data_r5mapsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-05-10 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5map 
_cell.length_a      59.7860 
_cell.length_b      70.6270 
_cell.length_c      77.6560 
_cell.angle_alpha   90.0000 
_cell.angle_beta    92.9970 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97977 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.490 
_diffrn_reflns.pdbx_d_res_low    77.550 
_diffrn_reflns.limit_h_max       40 
_diffrn_reflns.limit_h_min       -40 
_diffrn_reflns.limit_k_max       47 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       52 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            105298 
_diffrn_reflns.pdbx_number_obs   103408 
# 
_entry.id   5map 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5map 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -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 -40 0  1  o 55.03228 38.47934 -200.4518      459.6622 -200.4518      459.6622 -200.4518      459.6622 55.03228 38.47934 55.03228 38.47934 -0.000000      0.000000 
1 1 1 -40 0  2  o 114.2224 55.41595 801.7375       434.2181 801.7375       434.2181 801.7375       434.2181 114.2224 55.41595 114.2224 55.41595 -0.000000      0.000000 
1 1 1 -40 0  3  o 95.70190 53.09771 612.1212       438.5348 612.1212       438.5348 612.1212       438.5348 95.70190 53.09771 95.70190 53.09771 0.000000       0.000000 
1 1 1 -40 0  4  o 142.7233 56.63835 1094.121       457.2677 1094.121       457.2677 1094.121       457.2677 142.7233 56.63835 142.7233 56.63835 -0.000000      0.000000 
1 1 1 -40 0  5  o 183.3695 52.77064 1517.583       492.0621 1517.583       492.0621 1517.583       492.0621 183.3695 52.77064 183.3695 52.77064 0.000000       0.000000 
1 1 1 -40 0  6  o 61.01534 41.68218 -6.782728      466.8509 -6.782728      466.8509 -6.782728      466.8509 61.01534 41.68218 61.01534 41.68218 0.000000       0.000000 
1 1 1 -40 1  1  o 71.01991 32.61790 8.568096       310.0198 61.86461       429.7287 -49.27710      447.6912 80.43782 37.45064 77.39453 36.70718 3.043289       52.44013 
1 1 1 -40 1  2  o 66.94148 31.30469 -70.25365      305.6560 24.88685       449.6479 -151.9817      416.7499 79.90092 37.55708 72.16349 34.55475 7.737427       51.03494 
1 1 1 -40 1  3  o 86.43375 35.90039 276.6268       299.4947 -34.52258      480.8238 473.8725       382.8294 79.25724 37.71959 100.2813 41.00949 -21.02410      55.71845 
1 1 1 -40 1  4  o 113.0107 39.35796 597.0569       319.9025 781.4795       499.8899 469.1471       416.3121 114.9901 46.92365 99.21214 41.84138 15.77792       62.86914 
1 1 1 -40 1  5  o 175.8978 34.12357 1239.432       339.3154 1459.448       508.5919 1062.943       455.5127 162.9382 49.14518 138.6888 47.01223 24.24947       68.01028 
1 1 1 -40 1  6  o 137.8338 39.86596 875.2421       340.4902 1271.323       481.4429 478.8885       481.6089 151.4052 48.18211 98.44449 43.25774 52.96074       64.75143 
1 1 1 -40 2  1  o 53.10091 26.08647 -382.6924      281.1566 -273.7713      416.7418 -473.6845      380.9020 68.58157 33.26194 60.53191 29.85796 8.049664       44.69737 
1 1 1 -40 2  2  o 111.0256 38.78539 565.3580       310.7956 429.2321       476.1642 666.3961       410.2313 97.18475 42.84671 112.9864 43.64232 -15.80164      61.15957 
1 1 1 -40 2  3  o 72.15221 33.02006 30.19208       313.9161 -381.9712      497.9414 302.0481       404.4019 70.96780 34.83396 89.98251 39.58577 -19.01471      52.72986 
1 1 1 -40 2  4  o 95.99686 38.32371 405.3403       325.4543 631.7609       518.1010 257.7626       418.2799 106.0122 45.74072 87.85461 39.35642 18.15762       60.34187 
1 1 1 -40 2  5  o 130.7110 39.35163 783.6189       326.3060 1565.398       514.7629 258.4601       421.9009 170.4442 48.93213 87.72935 39.39552 82.71490       62.82006 
1 1 1 -40 2  6  o 92.89763 38.27926 371.7876       336.8095 626.4771       511.4966 176.8183       447.5281 105.0870 45.39534 84.63015 38.98551 20.45688       59.83818 
1 1 1 -40 3  1  o 85.94040 38.69969 213.5004       410.3210 0.000000       0.000000 213.5004       410.3210 ?        ?        85.94040 38.69969 0.000000       38.69969 
1 1 1 -40 3  2  o 87.04939 36.70516 279.3031       320.2823 181.4350       494.3814 350.0865       420.4435 87.01842 40.39682 92.79256 40.60579 -5.774139      57.27768 
1 1 1 -40 3  3  o 65.04627 30.72367 -114.9160      307.5640 -161.3292      494.6265 -85.65780      392.7180 76.13548 36.75864 72.59927 34.41731 3.536209       50.35622 
1 1 1 -40 3  4  o 98.37215 37.96003 431.9028       310.1386 434.9384       502.3074 430.0327       394.2635 96.82986 43.27082 96.85463 40.77550 -0.2476501E-01 59.45591 
1 1 1 -40 3  5  o 114.7842 39.61761 624.1973       323.8086 692.4587       511.4776 578.5386       418.3128 108.7493 46.14432 105.4519 42.96474 3.297394       63.04972 
1 1 1 -39 0  1  o 129.9982 55.94592 936.2629       437.5634 936.2629       437.5634 936.2629       437.5634 129.9982 55.94592 129.9982 55.94592 -0.000000      0.000000 
1 1 1 -39 0  2  o 69.66926 44.12837 230.4670       388.5521 230.4670       388.5521 230.4670       388.5521 69.66926 44.12837 69.66926 44.12837 -0.000000      0.000000 
1 1 1 -39 0  3  o 68.85816 43.57615 223.1423       377.9350 223.1423       377.9350 223.1423       377.9350 68.85816 43.57615 68.85816 43.57615 -0.000000      0.000000 
1 1 1 -39 0  4  o 107.4712 53.06964 695.8926       400.9126 695.8926       400.9126 695.8926       400.9126 107.4712 53.06964 107.4712 53.06964 0.000000       0.000000 
1 1 1 -39 0  5  o 85.82491 49.57660 468.1189       403.4807 468.1189       403.4807 468.1189       403.4807 85.82491 49.57660 85.82491 49.57660 0.000000       0.000000 
1 1 1 -39 0  6  o 70.12793 44.81890 235.5600       411.5867 235.5600       411.5867 235.5600       411.5867 70.12793 44.81890 70.12793 44.81890 -0.000000      0.000000 
1 1 1 -39 0  7  o 51.34015 35.97379 -220.3515      407.9337 -220.3515      407.9337 -220.3515      407.9337 51.34015 35.97379 51.34015 35.97379 -0.000000      0.000000 
1 1 1 -39 0  8  o 62.49729 41.75447 77.37923       420.2509 77.37923       420.2509 77.37923       420.2509 62.49729 41.75447 62.49729 41.75447 0.000000       0.000000 
1 1 1 -39 0  9  o 42.04775 30.42889 -579.4760      396.8141 -579.4760      396.8141 -579.4760      396.8141 42.04775 30.42889 42.04775 30.42889 0.000000       0.000000 
1 1 1 -39 0  10 o 52.59484 36.29380 -108.7978      375.0408 -108.7978      375.0408 -108.7978      375.0408 52.59484 36.29380 52.59484 36.29380 0.000000       0.000000 
1 1 1 -39 0  11 o 64.52089 41.70930 167.9586       369.7074 167.9586       369.7074 167.9586       369.7074 64.52089 41.70930 64.52089 41.70930 -0.000000      0.000000 
1 1 1 -39 0  12 o 42.28597 30.36873 -435.7050      361.5317 -435.7050      361.5317 -435.7050      361.5317 42.28597 30.36873 42.28597 30.36873 -0.000000      0.000000 
1 1 1 -39 0  13 o 65.92323 41.74190 209.1807       347.3355 209.1807       347.3355 209.1807       347.3355 65.92323 41.74190 65.92323 41.74190 -0.000000      0.000000 
1 1 1 -39 0  14 o 52.13127 33.97503 62.57127       252.2707 62.57127       252.2707 62.57127       252.2707 52.13127 33.97503 52.13127 33.97503 -0.000000      0.000000 
1 1 1 -39 1  1  o 70.23156 31.83953 23.44685       283.2845 650.5059       393.5377 -650.9070      408.1089 114.5293 43.10136 59.37590 29.56551 55.15341       52.26707 
1 1 1 -39 1  2  o 78.58217 33.83505 162.6390       282.3521 6.302672       410.4260 303.1100       389.0437 78.01884 36.41599 91.02080 39.45436 -13.00195      53.69144 
1 1 1 -39 1  3  o 120.4004 37.08828 625.4603       287.6409 813.2114       437.5246 482.5405       381.7310 123.5579 45.65223 102.1192 41.24875 21.43864       61.52711 
1 1 1 -39 1  4  o 60.00692 28.55683 -171.8462      275.5333 -165.4909      425.9102 -176.4204      361.3311 72.76816 34.86780 67.75594 32.37124 5.012215       47.57794 
1 1 1 -39 1  5  o 88.81950 35.64960 304.3674       283.1798 715.8682       403.9135 -93.41984      397.1261 117.9532 43.81153 73.12925 34.65135 44.82392       55.85845 
1 1 1 -39 1  6  o 90.14738 36.01901 322.0313       287.7325 -51.61538      397.4971 733.3135       417.0359 74.51846 35.11531 118.0335 44.38036 -43.51506      56.59241 
1 1 1 -39 1  7  o 61.69433 29.35435 -163.0749      290.8621 -54.56687      390.3942 -298.4573      436.0675 73.81901 34.79015 69.22622 33.67788 4.592789       48.42060 
1 1 1 -39 1  8  o 60.32485 28.86181 -192.2311      289.4228 -352.7753      382.1021 23.84914       443.2918 63.61075 31.07322 79.39870 37.31150 -15.78796      48.55608 
1 1 1 -39 1  9  o 105.5405 37.55196 500.6669       292.3562 407.2115       380.7915 634.8485       456.2802 95.60325 40.15008 108.0551 44.54247 -12.45181      59.96716 
1 1 1 -39 1  10 o 68.78695 31.07727 38.30315       267.1247 -82.99441      349.9013 207.7640       413.5749 69.50995 32.81329 85.09345 38.53473 -15.58350      50.61263 
1 1 1 -39 1  11 o 156.7741 30.39248 938.2016       269.3521 1011.090       361.0611 846.7358       404.4663 148.2170 40.42686 126.3672 44.23867 21.84974       59.92822 
1 1 1 -39 1  12 o 116.4886 34.48969 574.4551       252.2722 833.9264       365.1701 337.5654       348.9182 129.5673 42.03305 90.30853 38.20672 39.25875       56.80256 
1 1 1 -39 1  13 o 96.84444 34.46328 401.1231       246.2499 291.5894       376.0204 483.3748       325.8442 87.48128 38.33804 100.9523 38.92157 -13.47102      54.63235 
1 1 1 -39 1  14 o 73.58652 30.03076 173.6571       204.7708 464.6696       353.3305 26.48231       251.2708 97.87721 39.63083 66.07013 29.96628 31.80708       49.68481 
1 1 1 -39 2  1  f 182.4637 26.84861 1184.256       278.7270 1584.342       415.0951 855.7447       376.1371 196.4494 37.39409 133.9577 42.58310 62.49173       56.67132 
1 1 1 -39 2  2  o 86.68777 35.17986 274.1697       279.1474 568.6978       424.7449 50.22863       370.3666 107.0310 43.40998 77.49063 35.61242 29.54036       56.14865 
1 1 1 -39 2  3  o 103.8414 37.56598 471.0819       293.9140 549.3925       451.1029 413.3158       387.4378 104.9527 43.86237 97.37775 40.66959 7.574997       59.81575 
1 1 1 -39 2  4  o 80.10244 34.48076 181.1207       293.0872 393.0147       438.3150 9.761696       394.1670 96.09175 41.76366 76.92545 35.83287 19.16630       55.02907 
1 1 1 -39 2  5  o 73.05593 32.96553 59.82047       299.5003 -98.14577      439.9803 196.2215       408.8461 75.59634 36.00682 85.50959 38.55681 -9.913246      52.75527 
1 1 1 -39 2  6  o 128.0599 45.66119 878.6801       432.4750 878.6801       432.4750 0.000000       0.000000 128.0599 45.66119 ?        ?        0.000000       45.66119 
1 1 1 -39 2  7  o 76.65441 33.43773 142.4299       283.1488 -112.4637      374.1691 483.9956       433.1373 70.60821 33.50871 100.3637 42.51965 -29.75546      54.13644 
1 1 1 -39 2  8  o 76.75932 33.35340 149.4327       279.4181 -201.6057      350.1251 765.1425       463.6966 65.52875 31.45548 116.3551 45.97180 -50.82638      55.70327 
1 1 1 -39 2  9  o 68.68530 31.04543 34.61612       266.9331 -471.5639      327.0151 1045.304       462.0871 55.37590 27.37955 136.6099 47.31821 -81.23402      54.66858 
1 1 1 -39 2  10 o 98.59837 35.70373 419.3478       265.5783 338.1803       330.0880 568.3319       447.2068 90.71359 37.68469 103.9443 43.57269 -13.23070      57.60829 
1 1 1 -39 2  11 o 241.7800 20.27025 1941.807       284.7851 2040.055       380.4091 1816.538       429.5469 235.9401 28.03926 209.6666 36.24326 26.27351       45.82329 
1 1 1 -39 2  12 o 61.69783 28.59536 -52.07568      246.1861 -170.5043      333.7290 89.30771       364.6404 64.71614 30.97074 77.28267 35.45004 -12.56653      47.07326 
1 1 1 -39 2  13 o 105.9055 30.70499 447.3947       201.7619 458.1810       337.6607 441.4050       251.6213 98.43402 39.12147 100.8219 34.91751 -2.387833      52.43779 
1 1 1 -39 2  14 o 52.84820 24.98452 -123.5957      204.2425 -183.9125      342.2712 -90.24081      254.5255 64.43235 30.97363 60.25900 28.30314 4.173351       41.95752 
1 1 1 -39 3  1  o 86.57295 34.97339 272.9109       274.4540 204.7029       395.3109 336.3826       381.3391 86.04707 38.42397 92.89327 39.64444 -6.846207      55.20945 
1 1 1 -39 3  2  o 79.12527 33.91651 172.2318       281.3278 131.3598       424.6158 204.2113       375.5942 83.68967 38.33882 85.16576 37.77613 -1.476089      53.82286 
1 1 1 -39 3  3  o 74.93783 33.05004 107.7177       283.5454 211.3270       432.6148 29.69059       375.4263 87.30582 39.48641 76.74885 35.48032 10.55697       53.08512 
1 1 1 -39 3  4  o 91.91009 36.46759 339.8403       292.9352 672.2054       442.8065 81.18896       390.6283 112.6332 44.78881 79.67366 36.60021 32.95954       57.84127 
1 1 1 -39 3  5  o 122.0903 38.04578 660.0305       301.6866 334.9529       458.9369 907.3953       400.3394 93.15913 41.51339 134.5026 44.03637 -41.34346      60.51912 
1 1 1 -39 3  6  o 84.71988 35.52406 249.9699       297.3819 552.0225       434.4378 -16.35368      407.9352 104.6300 43.32865 76.39669 35.86663 28.23330       56.24755 
1 1 1 -39 3  7  o 86.50629 35.54005 278.7923       289.2075 122.7622       381.7851 488.8815       443.0132 80.62017 36.71110 100.4800 42.80145 -19.85979      56.38855 
1 1 1 -39 3  8  o 89.42515 34.88468 319.0359       264.1059 338.0074       325.2676 282.3257       452.4638 91.12006 37.58935 89.89978 40.54663 1.220284       55.29004 
1 1 1 -39 3  9  o 188.5919 24.84017 1248.323       268.0705 1223.179       335.9413 1292.399       444.7831 175.0091 33.95569 160.6574 45.27511 14.35170       56.59350 
1 1 1 -39 3  10 o 97.71321 34.91746 405.4588       253.0404 143.1872       308.5184 944.4916       442.2960 77.55222 34.32637 130.4047 46.20949 -52.85249      57.56402 
1 1 1 -39 3  11 o 71.31509 32.84601 17.11816       317.4737 17.11816       317.4737 0.000000       0.000000 71.31509 32.84601 ?        ?        0.000000       32.84601 
1 1 1 -39 3  12 o 100.7322 31.64459 410.8426       208.2761 36.76213       323.9038 674.5508       271.9539 72.46409 33.30288 125.5672 35.40805 -53.10307      48.60876 
1 1 1 -39 3  13 o 42.77415 21.11806 -327.9991      192.0571 -223.2253      308.0025 -394.6548      245.6670 60.34307 29.10234 48.03595 23.74690 12.30712       37.56144 
1 1 1 -39 3  14 o 52.95594 24.70247 -81.54038      188.3875 -256.1854      295.3378 38.26593       244.6138 57.78040 28.01813 66.12456 29.81915 -8.344154      40.91695 
1 1 1 -39 4  1  o 181.2347 38.52412 1380.775       396.8448 0.000000       0.000000 1380.775       396.8448 ?        ?        181.2347 38.52412 0.000000       38.52412 
1 1 1 -39 4  2  o 90.46967 36.70741 317.9493       303.8462 399.6303       472.1181 260.1962       396.9883 96.94930 42.70669 88.73432 39.12180 8.214981       57.91698 
1 1 1 -39 4  3  o 61.64777 29.35525 -174.0591      292.0419 304.9796       431.8292 -577.8271      396.4539 91.63162 40.58197 59.74064 29.64474 31.89098       50.25641 
1 1 1 -39 4  4  o 93.16435 36.73155 355.5026       295.4630 415.4319       429.4344 301.6313       407.1510 97.16443 41.78032 90.79585 39.83905 6.368584       57.72993 
1 1 1 -39 4  5  o 166.9017 32.78123 1084.729       309.4214 858.6874       442.2037 1301.573       433.1136 125.7311 45.98981 165.5981 43.89344 -39.86700      63.57434 
1 1 1 -39 4  6  o 129.9702 36.55571 721.1749       290.2554 966.3016       408.0199 470.0380       412.9916 138.3655 44.39087 99.93864 41.88172 38.42689       61.02973 
1 1 1 -39 4  7  o 133.9078 34.82730 739.8358       276.0514 842.6276       369.7434 610.3743       414.9462 131.6039 42.26096 108.6884 43.31203 22.91541       60.51381 
1 1 1 -39 4  8  o 171.3176 28.88783 1086.759       279.9338 1299.083       373.7454 815.4344       422.4940 175.5399 37.44613 122.9762 44.95779 52.56377       58.50996 
1 1 1 -39 4  9  o 64.69852 29.73153 -22.64395      258.0846 -327.4885      327.3763 477.8787       419.4883 59.33666 28.93653 99.40659 41.96609 -40.06992      50.97525 
1 1 1 -39 4  10 o 113.2543 34.69685 543.5855       252.1698 711.1047       314.9268 244.2683       420.9622 124.4738 38.88444 86.91937 39.16433 37.55447       55.18917 
1 1 1 -39 4  11 o 165.4354 24.38189 960.6058       229.4781 634.4796       323.8566 1289.463       325.2096 115.3861 39.62865 182.6945 31.48868 -67.30843      50.61588 
1 1 1 -39 4  12 o 102.7807 32.01295 431.1729       213.6248 655.0228       310.3776 229.6785       294.4716 118.3541 38.77563 81.95866 34.90327 36.39540       52.17076 
1 1 1 -39 4  13 o 47.39505 22.86752 -201.2304      190.6588 -138.7623      280.4202 -254.9321      260.0005 60.81778 28.90454 54.22262 26.29190 6.595161       39.07347 
1 1 1 -39 4  14 o 53.03542 24.94180 -104.5233      198.7549 -365.6423      302.0981 94.76506       263.9184 55.02220 27.03236 70.93980 31.55451 -15.91760      41.55040 
1 1 1 -39 5  1  o 67.62824 31.84888 -106.4982      326.0865 -307.0276      619.3353 -29.58835      383.5551 79.74672 39.08253 74.96536 35.06047 4.781357       52.50410 
1 1 1 -39 5  2  o 116.7872 40.76510 641.7782       343.2928 -343.9300      649.2894 1024.246       404.4469 80.14742 39.42666 145.4545 43.81533 -65.30703      58.94272 
1 1 1 -39 5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -39 5  4  o 71.09218 32.15386 40.59224       286.8749 -110.8526      419.2573 173.9209       393.3825 73.95894 35.20483 83.91817 37.83160 -9.959236      51.67794 
1 1 1 -39 5  5  o 111.3702 36.60378 538.7464       276.4913 542.5092       378.3814 534.4354       405.0109 105.7938 41.61126 104.3699 42.36796 1.423859       59.38469 
1 1 1 -39 5  6  o 81.34113 33.37687 224.6376       254.6704 397.7765       337.3662 -4.723639      388.2972 95.76232 38.74300 75.59287 35.32866 20.16945       52.43218 
1 1 1 -39 5  7  o 153.4440 31.17344 903.8442       270.9527 681.1938       360.7138 1192.137       410.4574 117.5519 41.72332 158.4542 43.05586 -40.90225      59.95533 
1 1 1 -39 5  8  o 101.9378 40.51118 494.4324       362.0519 494.4324       362.0519 0.000000       0.000000 101.9378 40.51118 ?        ?        0.000000       40.51118 
1 1 1 -39 5  9  o 89.57254 34.57807 323.2773       257.4118 162.1518       347.9246 518.1337       382.6135 80.56620 36.00707 102.7736 41.37299 -22.20741      54.84737 
1 1 1 -39 5  10 o 95.07690 34.92693 381.5682       255.4750 437.0744       335.1441 304.5771       394.7129 97.81604 38.94289 89.28933 39.20044 8.526711       55.25598 
1 1 1 -39 5  11 o 122.2915 30.40934 582.6886       217.1796 762.1292       311.7930 413.5774       302.6860 129.7906 38.32130 96.36362 37.41502 33.42696       53.55750 
1 1 1 -39 5  12 o 83.97527 31.32901 272.4726       206.9791 500.3801       281.4042 3.856957       305.5040 105.0034 36.88931 69.43445 32.06604 35.56898       48.87793 
1 1 1 -39 5  13 o 77.25297 31.00224 208.6753       214.1249 228.5469       305.3529 189.4501       300.3458 81.63340 35.16787 78.96510 34.44206 2.668304       49.22433 
1 1 1 -39 6  1  o 99.54872 37.61786 426.8629       300.4667 882.5952       489.7104 151.7209       380.5071 124.3808 47.77711 82.64441 37.23680 41.73638       60.57418 
1 1 1 -39 6  2  o 65.78134 31.18964 -142.3581      322.7390 -408.7593      583.3866 -24.86906      387.4243 75.76012 37.28874 75.21172 35.19555 0.5484009      51.27550 
1 1 1 -39 6  3  o 67.44261 31.82239 -110.3881      328.3780 22.31135       618.2654 -162.5317      387.5620 86.75076 41.68340 70.14870 33.51748 16.60206       53.48764 
1 1 1 -39 6  4  o 124.9856 39.87204 718.7859       329.5302 630.8230       575.0280 761.7994       402.1074 106.0858 46.91403 121.6383 43.94834 -15.55250      64.28362 
1 1 1 -39 6  5  o 91.47690 35.96278 338.9586       282.5092 302.7835       407.4503 372.4510       392.0511 90.45847 39.76704 94.14677 40.18891 -3.688293      56.53818 
1 1 1 -39 6  6  o 112.7202 40.22953 603.4141       335.7817 603.4141       335.7817 0.000000       0.000000 112.7202 40.22953 ?        ?        0.000000       40.22953 
1 1 1 -39 6  7  o 80.84631 35.74283 173.6562       333.5641 173.6562       333.5641 0.000000       0.000000 80.84631 35.74283 ?        ?        0.000000       35.74283 
1 1 1 -39 6  8  o 53.99644 25.90562 -200.8727      236.7516 -399.3120      336.0604 -5.342783      333.5878 58.16382 28.56289 71.72423 33.25766 -13.56041      43.83960 
1 1 1 -39 6  9  o 79.62663 32.65916 214.1946       243.7008 -148.9504      335.9548 617.5043       354.0464 65.96996 31.43349 111.8382 41.11108 -45.86825      51.75118 
1 1 1 -39 6  10 o 60.37631 27.55414 -21.42097      216.6119 -19.61635      341.0132 -22.64159      280.4593 71.28217 33.24588 66.51183 30.71890 4.770332       45.26522 
1 1 1 -39 6  11 o 100.4180 32.85895 418.1183       222.9152 490.8589       324.7762 353.3277       306.5150 101.8837 38.96543 91.19734 36.91716 10.68636       53.67664 
1 1 1 -39 6  12 o 78.38848 31.58737 216.1566       223.2623 313.7314       316.3089 119.2800       315.1753 87.83179 36.71968 75.75461 34.03151 12.07718       50.06474 
1 1 1 -39 7  1  o 101.3117 37.70269 446.9897       299.3994 434.9315       436.2348 457.7277       411.6621 98.51297 42.23074 99.95953 41.84716 -1.446556      59.45267 
1 1 1 -39 7  2  o 74.52375 32.91132 104.2412       282.0625 964.1092       419.9846 -602.2755      380.6963 137.3855 45.11086 57.77996 28.73534 79.60553       53.48560 
1 1 1 -39 7  3  o 99.89484 36.97886 430.6194       287.3076 338.5151       446.1564 495.8741       375.5371 93.17904 41.25937 102.6734 41.10701 -9.494347      58.24192 
1 1 1 -39 7  4  o 97.21860 37.13110 405.4370       294.6577 1209.520       529.7455 45.21786       354.5686 142.0389 50.54763 75.81707 34.84378 66.22182       61.39341 
1 1 1 -39 7  5  o 85.74600 40.53458 96.56416       537.4274 96.56416       537.4274 0.000000       0.000000 85.74600 40.53458 ?        ?        0.000000       40.53458 
1 1 1 -39 7  6  o 114.7086 37.14898 580.6744       285.3092 258.9308       507.1656 729.6393       345.0935 90.24592 41.54690 123.6804 40.90454 -33.43452      58.30374 
1 1 1 -39 7  7  o 52.90434 25.63098 -258.4061      245.7467 -34.84833      359.5539 -454.3917      336.6520 72.34508 33.87089 56.82037 28.03531 15.52470       43.96835 
1 1 1 -39 7  8  o 64.48691 29.07636 16.17497       232.4805 105.1549       316.7820 -87.68530      342.2468 75.99452 34.13044 68.85255 32.48759 7.141975       47.12038 
1 1 1 -39 7  9  o 73.70170 31.64308 138.9605       245.6180 239.2601       312.8413 -22.21829      396.5778 83.61032 35.80081 74.75899 35.18099 8.851334       50.19362 
1 1 1 -39 7  10 o 66.99393 29.50203 68.90856       225.1378 51.71188       328.2021 84.19270       309.4136 73.50468 33.68545 73.98978 33.43557 -0.4851074     47.46205 
1 1 1 -39 7  11 o 104.2018 32.75991 451.0720       223.1740 262.1916       320.4658 628.9354       310.9794 84.59204 36.22810 115.3116 38.84494 -30.71951      53.11689 
1 1 1 -39 7  12 o 66.94975 29.58489 70.72784       228.2664 -185.0218      335.8007 290.4232       311.2322 63.91918 30.71466 85.90607 36.20075 -21.98689      47.47510 
1 1 1 -39 8  1  f 67.88827 30.89670 5.528892       269.9627 246.1214       403.3829 -189.6488      363.3219 88.01124 39.08734 67.47995 32.29913 20.53129       50.70556 
1 1 1 -39 8  2  o 129.9069 33.59031 678.0348       257.7954 843.7941       367.9620 518.2363       361.2853 132.9317 42.10107 104.9127 40.83669 28.01901       58.65267 
1 1 1 -39 8  3  o 51.51291 24.99944 -268.8488      236.3879 -299.2150      334.5339 -238.5663      334.0725 61.25850 29.73152 63.17329 30.42746 -1.914795      42.54166 
1 1 1 -39 8  4  o 105.3258 34.53335 463.5117       246.1584 717.4908       356.3878 231.8045       340.4032 121.7878 41.57876 84.85520 36.84294 36.93257       55.55354 
1 1 1 -39 8  5  o 64.63766 29.91057 -46.33066      267.7680 -59.76032      439.0698 -38.37821      337.8714 76.45898 36.28918 70.85677 33.06236 5.602211       49.09200 
1 1 1 -39 8  6  o 75.01879 33.11750 116.9496       285.3519 51.34308       522.0944 144.8956       340.7493 83.51462 39.61871 79.61179 35.60339 3.902824       53.26578 
1 1 1 -39 8  7  o 81.56387 34.98353 210.6882       299.6524 270.6433       516.4791 180.2661       367.9037 90.42091 41.73483 82.41845 36.91661 8.002457       55.71923 
1 1 1 -39 8  8  o 86.39555 38.81637 238.8850       410.1688 0.000000       0.000000 238.8850       410.1688 ?        ?        86.39555 38.81637 0.000000       38.81637 
1 1 1 -39 8  9  o 66.84000 29.20196 76.35042       216.6828 331.9714       326.0695 -125.8023      289.9691 89.85761 37.40222 62.61163 29.65056 27.24598       47.72926 
1 1 1 -39 8  10 f 70.39302 30.00336 124.0409       217.9208 95.59795       312.2308 151.0565       304.2955 74.53850 33.64445 77.22756 34.14102 -2.689064      47.93285 
1 1 1 -39 8  11 o 120.2925 32.04483 587.2119       230.1174 602.1595       320.0893 571.2222       331.0580 111.4177 39.32641 107.7110 39.72640 3.706718       55.89949 
1 1 1 -39 9  1  o 67.92908 30.69643 22.38457       260.7857 -273.6017      374.5020 301.0259       363.3634 65.58575 31.74277 89.87105 38.53458 -24.28530      49.92512 
1 1 1 -39 9  2  o 141.4458 40.60943 913.9305       354.5364 0.000000       0.000000 913.9305       354.5364 ?        ?        141.4458 40.60943 0.000000       40.60943 
1 1 1 -39 9  3  o 84.09187 33.08487 259.8309       239.2632 477.1706       350.3815 69.93555       327.5133 101.6479 40.02332 75.28159 34.17094 26.36630       52.62622 
1 1 1 -39 9  4  o 73.99797 31.08841 150.5985       228.4379 403.6070       326.5731 -91.80834      319.6578 96.25011 38.40127 67.18599 31.60730 29.06412       49.73610 
1 1 1 -39 9  5  o 121.8324 32.89938 598.3995       240.5406 833.8087       332.0963 338.6017       348.8752 135.7273 39.40556 91.35839 38.40291 44.36893       55.02346 
1 1 1 -39 9  6  o 111.6292 35.86879 539.6547       266.3225 592.2245       358.2690 474.7282       398.1545 109.6741 41.15641 99.63767 41.38974 10.03645       58.36917 
1 1 1 -39 9  7  o 73.22257 32.83855 85.19292       292.1012 561.1543       449.5883 -262.4803      384.2508 103.3532 43.52871 66.00634 31.99552 37.34684       54.02280 
1 1 1 -39 9  8  o 73.24108 31.59953 133.6425       247.2454 576.3279       464.9411 -40.90263      291.9472 103.2944 43.91874 66.52007 30.93615 36.77431       53.72058 
1 1 1 -39 9  9  o 43.72041 21.84905 -488.8982      231.7191 -348.8914      369.7004 -579.4871      297.3808 62.04856 30.36427 49.40719 24.70019 12.64137       39.14190 
1 1 1 -39 10 1  o 62.51841 29.00133 -62.20229      254.0745 88.93323       381.2545 -182.9479      340.7747 79.13973 36.28209 65.53545 31.34476 13.60429       47.94668 
1 1 1 -39 10 2  f 60.66706 28.15135 -67.56380      239.6855 529.9849       350.5205 -592.3428      328.4846 105.5546 40.45260 52.79487 26.32631 52.75974       48.26477 
1 1 1 -39 10 3  o 56.03632 26.58240 -150.3467      235.0023 -306.7905      320.6125 31.28967       345.4640 59.46132 28.91599 74.30775 34.23845 -14.84644      44.81524 
1 1 1 -39 10 4  o 159.2094 29.12650 944.6090       261.9426 992.4046       359.8615 890.7473       382.0160 147.3713 40.42611 133.9848 42.94980 13.38646       58.98267 
1 1 1 -39 10 5  o 103.6748 33.89027 449.5705       237.1554 420.7193       306.5218 492.5973       374.3254 97.38665 37.69547 101.1541 40.85105 -3.767448      55.58558 
1 1 1 -39 10 6  o 61.17997 28.10440 -33.50318      230.3202 183.0884       296.3212 -364.0558      366.0683 79.29961 34.40310 61.61811 30.16647 17.68151       45.75576 
1 1 1 -39 10 7  o 110.1795 34.13388 513.2166       243.2316 816.0711       313.3358 54.00510       385.8329 135.3153 37.95371 76.85777 35.68250 58.45754       52.09343 
1 1 1 -39 10 8  o 82.92034 32.44223 260.9198       228.9666 171.5251       346.8875 329.9362       304.7958 80.24396 35.90172 89.25623 36.55695 -9.012276      51.23811 
1 1 1 -39 11 1  o 73.71183 32.46817 109.8724       272.8366 395.0323       493.6180 -15.57024      327.3929 95.26247 42.70844 70.87628 32.89306 24.38619       53.90700 
1 1 1 -39 11 2  o 66.71332 30.74376 -20.35281      278.6875 -726.0011      430.3201 489.4235       365.7525 59.07031 29.55811 101.3518 40.57133 -42.28150      50.19676 
1 1 1 -39 11 3  o 86.79872 34.59312 292.7502       264.7310 560.4914       366.4538 0.5031726      382.8572 106.4618 41.21403 74.96388 35.04959 31.49788       54.10241 
1 1 1 -39 11 4  o 87.58694 33.43190 303.5894       238.7767 381.4056       313.1526 195.5111       369.0542 93.83971 37.54873 82.90754 37.06671 10.93217       52.76219 
1 1 1 -38 0  1  o 62.08750 41.41109 49.61777       410.3572 49.61777       410.3572 49.61777       410.3572 62.08750 41.41109 62.08750 41.41109 -0.000000      0.000000 
1 1 1 -38 0  2  o 79.25471 47.44159 361.2452       392.9047 361.2452       392.9047 361.2452       392.9047 79.25471 47.44159 79.25471 47.44159 -0.000000      0.000000 
1 1 1 -38 0  3  o 80.23941 47.55752 375.7652       387.5559 375.7652       387.5559 375.7652       387.5559 80.23941 47.55752 80.23941 47.55752 -0.000000      0.000000 
1 1 1 -38 0  4  o 63.08530 41.57314 93.42001       393.6566 93.42001       393.6566 93.42001       393.6566 63.08530 41.57314 63.08530 41.57314 -0.000000      0.000000 
1 1 1 -38 0  5  o 60.28041 40.34476 31.97501       395.4359 31.97501       395.4359 31.97501       395.4359 60.28041 40.34476 60.28041 40.34476 0.000000       0.000000 
1 1 1 -38 0  6  o 140.6670 53.61258 988.5968       416.3964 988.5968       416.3964 988.5968       416.3964 140.6670 53.61258 140.6670 53.61258 0.000000       0.000000 
1 1 1 -38 0  7  o 109.8242 53.99053 722.0607       414.1856 722.0607       414.1856 722.0607       414.1856 109.8242 53.99053 109.8242 53.99053 0.000000       0.000000 
1 1 1 -38 0  8  o 65.82132 42.90192 149.3169       402.4142 149.3169       402.4142 149.3169       402.4142 65.82132 42.90192 65.82132 42.90192 0.000000       0.000000 
1 1 1 -38 0  9  o 56.42537 38.32733 -35.14596      383.0135 -35.14596      383.0135 -35.14596      383.0135 56.42537 38.32733 56.42537 38.32733 -0.000000      0.000000 
1 1 1 -38 0  10 o 51.22699 35.14950 -94.78085      340.2026 -94.78085      340.2026 -94.78085      340.2026 51.22699 35.14950 51.22699 35.14950 -0.000000      0.000000 
1 1 1 -38 0  11 f 125.5799 48.22654 770.3491       335.8140 770.3491       335.8140 770.3491       335.8140 125.5799 48.22654 125.5799 48.22654 -0.000000      0.000000 
1 1 1 -38 0  12 o 69.74776 42.82033 258.5385       337.6667 258.5385       337.6667 258.5385       337.6667 69.74776 42.82033 69.74776 42.82033 0.000000       0.000000 
1 1 1 -38 0  13 o 82.31600 43.48289 389.5323       280.3520 389.5323       280.3520 389.5323       280.3520 82.31600 43.48289 82.31600 43.48289 0.000000       0.000000 
1 1 1 -38 0  14 o 96.25905 45.06178 506.1560       284.4661 506.1560       284.4661 506.1560       284.4661 96.25905 45.06178 96.25905 45.06178 0.000000       0.000000 
1 1 1 -38 0  15 o 104.3036 43.16590 541.8078       262.3294 541.8078       262.3294 541.8078       262.3294 104.3036 43.16590 104.3036 43.16590 -0.000000      0.000000 
1 1 1 -38 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -38 0  17 o 97.79807 42.12005 486.3466       247.9949 486.3466       247.9949 486.3466       247.9949 97.79807 42.12005 97.79807 42.12005 0.000000       0.000000 
1 1 1 -38 0  18 o 41.85836 28.76094 -88.59674      229.5898 -88.59674      229.5898 -88.59674      229.5898 41.85836 28.76094 41.85836 28.76094 -0.000000      0.000000 
1 1 1 -38 0  19 o 39.99918 27.80609 -130.0523      230.6540 -130.0523      230.6540 -130.0523      230.6540 39.99918 27.80609 39.99918 27.80609 0.000000       0.000000 
1 1 1 -38 1  1  o 107.9462 36.95586 487.8870       281.5857 182.6605       383.0469 846.7774       415.3572 85.86198 38.11350 131.3917 44.88633 -45.52975      58.88482 
1 1 1 -38 1  2  o 84.24753 35.05455 225.3155       286.2730 329.0915       400.9804 117.4333       408.8363 94.29633 40.45695 83.78538 38.08881 10.51096       55.56548 
1 1 1 -38 1  3  o 107.3488 37.60487 490.2402       292.2876 472.3880       409.6574 508.7521       417.1588 102.9161 42.29187 105.1885 42.88738 -2.272408      60.23230 
1 1 1 -38 1  4  o 178.7559 29.07413 1158.801       294.3371 1136.134       416.7854 1181.353       415.7276 156.6605 43.71216 161.1020 43.14125 -4.441574      61.41597 
1 1 1 -38 1  5  o 94.51431 36.33391 355.9216       283.3772 272.4897       400.3965 439.6537       401.1161 90.60487 39.63773 100.4288 41.61544 -9.823898      57.47168 
1 1 1 -38 1  6  f 77.50248 33.56871 140.1597       281.1891 -68.13790      391.6363 361.7877       403.9737 74.59302 35.05855 95.45592 40.77291 -20.86290      53.77297 
1 1 1 -38 1  7  o 73.57294 32.61317 82.44026       279.5008 -256.6705      390.2067 439.7554       400.5435 67.93937 32.76357 99.91603 41.51025 -31.97666      52.88244 
1 1 1 -38 1  8  o 68.67681 30.98718 22.69580       264.5734 140.6984       367.0378 -104.9366      381.7206 81.86221 36.75415 72.21957 34.14665 9.642639       50.16833 
1 1 1 -38 1  9  o 150.3236 31.27982 859.4732       266.7793 726.6172       374.5331 996.3038       380.0942 122.1270 42.58281 146.8803 42.00903 -24.75330      59.81683 
1 1 1 -38 1  10 o 55.13014 26.54054 -232.0814      253.4451 -264.4297      346.8955 -195.0441      371.1872 63.64358 30.74129 67.94581 32.55544 -4.302231      44.77592 
1 1 1 -38 1  11 o 153.0733 42.73578 1103.618       398.2514 0.000000       0.000000 1103.618       398.2514 ?        ?        153.0733 42.73578 0.000000       42.73578 
1 1 1 -38 1  12 o 181.7657 24.19489 1148.247       251.5208 1243.428       334.4705 1024.370       381.5740 177.7141 33.31483 147.2811 42.08012 30.43303       53.67135 
1 1 1 -38 1  13 o 80.53929 31.21172 234.5025       210.3336 441.8673       319.6488 76.15531       279.3255 98.76852 38.42102 71.91475 32.19273 26.85378       50.12532 
1 1 1 -38 1  14 o 66.04695 28.00310 97.40258       188.1179 -164.8955      267.3723 354.5325       264.7251 58.73866 28.00303 91.93520 35.17453 -33.19655      44.96018 
1 1 1 -38 1  15 o 85.69009 29.59843 282.9091       180.7510 320.3973       269.8670 252.4096       243.4156 88.53964 35.04303 82.37849 33.05626 6.161156       48.17396 
1 1 1 -38 1  16 o 98.65213 28.90681 378.0851       177.9838 430.7905       267.1495 336.0193       238.6661 98.62348 35.79554 90.09805 33.63610 8.525429       49.11932 
1 1 1 -38 1  17 o 67.79464 27.42513 135.1597       169.0291 18.55562       237.1341 255.5958       240.9992 64.39095 29.16739 82.20009 32.92353 -17.80914      43.98517 
1 1 1 -38 1  18 o 130.1276 24.55301 606.8361       180.5123 638.0068       246.0426 570.4995       265.6490 123.6530 33.22265 112.9542 35.77199 10.69871       48.81987 
1 1 1 -38 1  19 o 85.67905 28.30682 285.8072       165.2766 -8.374577      220.8491 660.3050       249.1796 60.69149 27.74526 125.1244 33.35188 -64.43294      43.38373 
1 1 1 -38 2  1  o 73.36814 32.48990 73.06320       276.7118 -37.69244      372.3433 209.6910       413.5520 75.00591 34.90101 88.41452 39.40268 -13.40862      52.63699 
1 1 1 -38 2  2  o 90.91451 36.08153 309.5804       286.8333 170.3429       395.9117 463.4023       416.1302 85.64899 38.33485 102.4523 42.41443 -16.80335      57.17118 
1 1 1 -38 2  3  o 99.68599 37.04719 410.1011       288.8922 -16.16480      402.0490 865.1211       415.3879 77.64191 36.17422 132.4156 44.89385 -54.77374      57.65442 
1 1 1 -38 2  4  o 137.2940 35.96537 769.0345       292.9964 579.9997       405.7473 975.0159       423.5442 110.0885 43.15292 140.8280 45.23204 -30.73946      62.51489 
1 1 1 -38 2  5  o 66.31371 30.72248 -61.27455      283.7498 -101.6279      387.2211 -14.47655      416.9971 73.15672 34.52998 78.34518 36.61366 -5.188454      50.32772 
1 1 1 -38 2  6  o 52.15957 25.64269 -398.7695      273.2658 -337.5684      375.5059 -467.6690      398.4239 64.41682 31.31850 62.92105 30.93915 1.495770       44.02362 
1 1 1 -38 2  7  o 116.0930 36.49880 570.5471       277.0220 545.4891       382.8956 598.0703       401.2877 107.4902 41.98285 110.6997 43.05254 -3.209549      60.13385 
1 1 1 -38 2  8  o 80.53895 33.71475 198.1261       267.1816 18.90374       369.9499 393.5229       386.2828 76.31727 35.25949 96.66346 40.50670 -20.34619      53.70312 
1 1 1 -38 2  9  o 78.34858 33.22258 172.7655       264.8298 192.9200       354.9803 147.4680       397.7020 83.81922 36.97282 83.32079 37.75436 0.4984360      52.84298 
1 1 1 -38 2  10 o 98.22240 35.17159 400.3050       256.8741 533.4913       334.0908 207.7177       401.7431 107.5080 39.86148 86.06445 38.56131 21.44351       55.46091 
1 1 1 -38 2  11 o 66.08772 29.86027 14.75471       246.6730 121.6394       321.9992 -137.0731      383.7714 77.72788 34.69586 70.55561 33.61218 7.172272       48.30716 
1 1 1 -38 2  12 o 102.7723 32.53048 428.2630       219.7116 661.1276       325.0894 232.4588       298.1001 118.9033 39.71251 83.16080 35.25476 35.74253       53.10350 
1 1 1 -38 2  13 o 107.4582 31.33349 460.2769       209.5683 312.2742       309.2542 585.9575       284.9803 88.69920 36.62759 114.6275 37.12794 -25.92830      52.15424 
1 1 1 -38 2  14 o 51.30178 24.17865 -117.2901      188.5851 -74.09614      289.8501 -148.9971      248.3360 64.78405 30.35670 57.31719 27.22933 7.466862       40.77948 
1 1 1 -38 2  15 o 42.78071 20.96456 -268.7603      178.1087 -422.4083      266.5312 -144.7877      239.4128 49.83511 24.65420 56.38676 26.77241 -6.551651      36.39494 
1 1 1 -38 2  16 o 89.26814 29.67695 312.1936       181.5864 591.0975       260.2712 47.68003       253.4678 116.7657 35.14312 67.63848 30.44087 49.12721       46.49393 
1 1 1 -38 2  17 o 86.24280 29.69518 290.3043       181.8829 184.0368       246.3629 417.6155       269.6549 76.36108 32.19484 96.92671 35.83486 -20.56563      48.17307 
1 1 1 -38 2  18 o 106.2250 28.04434 433.5648       177.2527 420.0098       237.1940 450.7079       266.7469 98.52501 33.91161 99.85673 35.83106 -1.331718      49.33419 
1 1 1 -38 2  19 o 84.84499 29.05752 282.8891       174.0885 500.7126       246.1753 64.98386       246.2215 106.3016 34.51364 67.33665 30.17798 38.96491       45.84650 
1 1 1 -38 3  1  o 88.80404 35.21050 286.7009       272.9068 195.3126       361.9790 407.0606       415.4118 85.56583 37.55357 99.10682 41.79649 -13.54099      56.18912 
1 1 1 -38 3  2  o 90.00655 35.44905 301.3913       274.9326 205.6747       372.7449 415.5970       407.1569 86.46739 38.02330 99.43089 41.62112 -12.96349      56.37454 
1 1 1 -38 3  3  o 120.0561 36.51104 601.6272       279.9033 782.6705       383.7941 395.9193       409.1029 128.1800 43.15358 98.06286 41.42335 30.11715       59.81743 
1 1 1 -38 3  4  o 203.7766 25.46836 1439.675       297.7453 1548.819       412.7975 1321.315       429.8721 195.5111 37.36272 171.6548 42.83937 23.85623       56.84351 
1 1 1 -38 3  5  o 78.24465 33.49778 156.4500       273.8040 -98.71108      382.8460 423.6066       391.7417 72.91365 34.39060 99.32092 41.13858 -26.40727      53.61993 
1 1 1 -38 3  6  o 96.65821 36.29443 381.6109       278.7129 38.08220       386.3946 754.2111       402.4122 78.45141 36.17010 123.1513 44.03057 -44.69990      56.98217 
1 1 1 -38 3  7  o 75.15255 32.71038 118.9710       269.6974 289.7329       363.5260 -90.08028      402.2224 90.13138 38.59255 74.26896 35.09643 15.86242       52.16459 
1 1 1 -38 3  8  o 92.37090 35.45914 338.8515       269.6301 295.7699       354.2000 398.2188       415.7918 90.05805 38.31358 96.97703 41.39220 -6.918976      56.40253 
1 1 1 -38 3  9  o 121.2376 35.49323 613.2164       268.4341 599.8975       348.0862 632.7598       421.6498 112.8130 40.87189 111.4438 43.89779 1.369225       59.97939 
1 1 1 -38 3  10 o 112.5221 35.77448 537.5470       265.4634 517.8308       339.6398 568.5024       425.5746 105.7784 39.98979 106.4638 43.35139 -0.6854172     58.97903 
1 1 1 -38 3  11 o 64.35786 28.71945 28.38413       220.4551 -213.4583      321.9636 241.8536       302.4882 62.81028 30.15405 84.22923 35.60141 -21.41895      46.65541 
1 1 1 -38 3  12 o 91.13202 31.90104 328.7486       210.3209 204.9794       302.8624 444.0326       292.2964 81.40207 35.04574 100.2169 37.26094 -18.81480      51.15253 
1 1 1 -38 3  13 o 50.94167 24.19534 -146.4013      195.8695 124.8254       293.7008 -363.6580      262.8606 75.60996 33.47805 51.29529 25.20423 24.31467       41.90505 
1 1 1 -38 3  14 o 48.68559 23.35516 -181.0602      192.3131 -143.4485      302.3515 -206.6158      249.2260 62.98810 29.95814 55.01353 26.44186 7.974571       39.95826 
1 1 1 -38 3  15 o 64.84543 28.10127 75.09562       197.2613 29.60902       309.9399 106.0659       255.7458 71.02109 32.61669 71.64717 31.50123 -0.6260834     45.34508 
1 1 1 -38 3  16 o 81.62476 29.81808 252.6096       185.8011 152.6688       256.5863 362.7874       269.4070 74.68140 32.20573 91.97449 35.40896 -17.29310      47.86443 
1 1 1 -38 3  17 o 57.69973 25.93382 2.723293       183.2896 -31.15189      248.0433 43.46889       272.0364 62.56710 28.89421 68.65738 31.15566 -6.090282      42.49177 
1 1 1 -38 3  18 o 109.4617 28.42409 462.9262       184.0701 471.8465       246.2731 451.6356       277.0683 103.5725 34.56425 99.20863 36.38492 4.363899       50.18516 
1 1 1 -38 4  1  o 101.3351 36.64890 423.3679       279.7137 160.5646       373.1638 760.3812       422.5788 84.13211 37.46579 123.3722 44.98407 -39.24009      58.54274 
1 1 1 -38 4  2  o 103.9857 36.93945 452.3835       282.7926 694.6826       383.8875 164.8815       418.1659 120.5391 43.01543 86.21526 38.92350 34.32385       58.01177 
1 1 1 -38 4  3  o 74.31603 32.65184 94.78154       274.3304 -77.12331      361.8470 327.1446       420.6922 72.37128 33.91390 94.21182 40.93133 -21.84054      53.15568 
1 1 1 -38 4  4  o 85.26657 34.80423 248.1785       275.1080 131.1763       369.0316 394.5463       412.7523 82.05494 36.84620 97.70499 41.45498 -15.65005      55.46312 
1 1 1 -38 4  5  o 117.8871 36.83305 588.6307       282.5622 768.0023       385.6020 380.6163       415.2495 125.9974 43.24275 96.68806 41.31964 29.30932       59.81010 
1 1 1 -38 4  6  o 140.7134 34.16424 786.8634       279.0779 433.5617       370.5837 1249.735       424.1739 99.74333 40.51348 164.9844 43.30033 -65.24107      59.29807 
1 1 1 -38 4  7  o 99.74094 35.97779 413.8221       269.3442 42.91345       359.8116 886.5726       406.2166 76.82212 35.22978 133.6400 44.38583 -56.81788      56.66780 
1 1 1 -38 4  8  o 100.8435 35.96416 426.5360       268.3044 421.0667       350.5114 434.2756       416.9606 98.48154 39.61535 98.97244 41.81401 -0.4908981     57.60024 
1 1 1 -38 4  9  o 82.56657 33.67719 232.0803       257.3474 159.3203       329.3840 346.0896       412.3121 80.67133 35.59830 93.60335 40.59524 -12.93201      53.99271 
1 1 1 -38 4  10 o 63.91981 29.28686 -26.46022      247.9137 92.29700       315.0500 -219.5783      401.7547 75.83694 34.05017 69.28470 33.37017 6.552246       47.67580 
1 1 1 -38 4  11 o 55.75557 26.18921 -113.3403      217.9712 -414.4695      302.6534 211.1744       314.1856 54.51595 26.83743 82.46830 35.60114 -27.95235      44.58350 
1 1 1 -38 4  12 f 80.82209 31.25739 236.1970       210.6280 614.3484       307.3229 -98.77263      289.2443 115.6656 38.61170 63.98482 30.09033 51.68080       48.95193 
1 1 1 -38 4  13 o 43.66921 21.55813 -340.8334      199.9970 -351.7905      290.0139 -330.8974      276.1706 54.68431 26.78830 53.80927 26.31349 0.8750381      37.55014 
1 1 1 -38 4  14 o 63.72232 29.78179 -68.98349      275.9721 0.000000       0.000000 -68.98349      275.9721 ?        ?        63.72232 29.78179 0.000000       29.78179 
1 1 1 -38 4  15 o 62.57117 27.81743 35.27343       204.8331 62.67750       301.8102 11.87191       278.8999 72.10320 32.75756 67.79488 31.06268 4.308319       45.14363 
1 1 1 -38 4  16 o 59.24567 26.93472 -12.33736      204.4854 -38.52038      308.5160 8.177333       273.0865 67.53896 31.54037 66.98514 30.70866 0.5538254      44.02064 
1 1 1 -38 4  17 o 65.68051 28.01273 96.45226       190.1788 322.4902       263.1646 -150.6290      275.1418 88.09371 34.68624 59.66853 28.43534 28.42519       44.85203 
1 1 1 -38 4  18 o 128.0527 25.92101 601.7805       187.9789 602.5233       248.4853 600.7865       287.4317 118.5940 33.98135 113.3594 37.32410 5.234657       50.47594 
1 1 1 -38 5  1  o 64.05881 30.17458 -134.6012      292.9935 -62.26941      422.4626 -201.6353      406.6978 77.21605 36.32908 71.39848 34.17421 5.817574       49.87664 
1 1 1 -38 5  2  o 97.99229 36.62553 391.6866       283.1387 326.8117       401.8168 455.6664       399.0349 93.88731 40.39338 101.7612 41.77021 -7.873901      58.10659 
1 1 1 -38 5  3  o 58.04072 27.74548 -207.2813      266.2509 -295.7437      373.9799 -116.3586      379.1446 65.67850 31.77150 72.09602 34.07113 -6.417526      46.58616 
1 1 1 -38 5  4  o 102.7608 36.01347 438.2919       268.0913 583.1624       361.0958 260.3568       400.1872 111.8810 41.44893 89.85838 39.46014 22.02264       57.22863 
1 1 1 -38 5  5  o 62.35720 29.01583 -85.13670      257.3711 152.6810       340.0182 -404.2016      393.8397 81.48032 36.05201 64.12506 31.37186 17.35526       47.79060 
1 1 1 -38 5  6  o 54.38452 26.26789 -256.8094      253.2190 -433.2550      325.1201 15.26371       403.7210 56.85539 27.95497 78.36238 36.42175 -21.50699      45.91323 
1 1 1 -38 5  7  o 92.62685 35.25779 340.9443       265.1039 404.4291       343.8292 247.8724       416.3102 97.45879 39.22474 89.03437 39.61537 8.424423       55.74906 
1 1 1 -38 5  8  o 73.80358 32.10697 113.0654       259.5627 199.4150       336.4592 -13.86811      407.9345 83.44731 36.42447 77.10043 36.09097 6.346886       51.27670 
1 1 1 -38 5  9  o 94.37572 35.21877 364.0156       261.6015 279.4438       333.7564 498.7448       421.2577 88.02792 37.31026 102.2064 42.52494 -14.17853      56.57232 
1 1 1 -38 5  10 o 76.78414 31.21412 186.9843       220.1994 380.6134       315.5070 3.098208       307.4666 94.77071 37.76689 70.58231 32.44130 24.18839       49.78730 
1 1 1 -38 5  11 o 62.11488 28.09070 -1.721740      218.8871 233.2462       299.9895 -269.2385      320.0938 83.29662 35.34159 60.60199 29.33448 22.69464       45.92973 
1 1 1 -38 5  12 o 126.3810 30.08195 614.0410       219.7337 717.8741       293.9266 482.4909       330.8387 128.1227 37.03466 101.7510 39.22157 26.37170       53.94346 
1 1 1 -38 5  13 o 67.26104 28.76630 97.98147       201.5453 230.7802       270.5044 -67.73312      302.1744 81.55030 34.01512 66.19032 31.00914 15.35998       46.02819 
1 1 1 -38 5  14 o 78.56255 30.64789 220.5367       203.8533 229.0320       293.4402 212.6124       283.4059 81.91031 34.86100 80.43698 34.24774 1.473328       48.86918 
1 1 1 -38 5  15 o 146.8185 34.74525 897.2712       294.4886 0.000000       0.000000 897.2712       294.4886 ?        ?        146.8185 34.74525 0.000000       34.74525 
1 1 1 -38 5  16 o 64.35107 28.21208 63.02324       203.7934 184.6359       298.6286 -42.98038      278.8061 78.71737 34.33857 64.88570 30.19493 13.83167       45.72605 
1 1 1 -38 5  17 o 87.45334 31.15966 306.7887       201.3609 114.5996       281.7950 507.3057       287.8356 73.25907 32.59473 104.3221 37.24517 -31.06306      49.49363 
1 1 1 -38 5  18 o 71.02917 28.83498 160.8665       187.6096 -13.86932      244.3275 411.9117       292.8581 62.72456 28.86231 94.48808 36.77013 -31.76352      46.74479 
1 1 1 -38 6  1  o 75.11439 33.04586 98.47517       281.8377 539.1857       407.1014 -307.1692      390.5698 107.2693 42.84934 66.81064 32.35498 40.45869       53.69275 
1 1 1 -38 6  2  o 78.34134 34.01477 141.7962       290.1495 345.8318       419.0121 -46.16911      402.1725 95.09048 41.08200 76.32545 35.76265 18.76504       54.46740 
1 1 1 -38 6  3  o 95.62012 41.08006 359.6293       414.4690 0.000000       0.000000 359.6293       414.4690 ?        ?        95.62012 41.08006 0.000000       41.08006 
1 1 1 -38 6  4  o 124.7540 36.15639 647.6798       279.8108 446.0621       365.1978 934.2958       435.4257 100.8654 40.48442 135.1773 45.96227 -34.31190      61.24964 
1 1 1 -38 6  5  o 122.6553 35.25431 618.5140       267.0536 548.3518       336.5117 737.8723       438.9095 109.7233 40.12149 119.0563 45.35484 -9.332962      60.55407 
1 1 1 -38 6  6  o 124.8785 34.51863 633.2450       261.2445 544.6415       327.9963 786.9857       432.0541 109.5900 39.67898 122.8595 45.37098 -13.26945      60.27393 
1 1 1 -38 6  7  o 68.96088 30.64546 52.37998       248.3390 100.9649       317.4138 -24.29355      398.7473 76.91341 34.38206 76.22661 35.68203 0.6868057      49.55132 
1 1 1 -38 6  8  o 56.98597 27.08321 -165.8901      246.1850 2.706553       319.9655 -410.5137      385.4143 71.82823 33.04322 62.79418 30.78601 9.034050       45.16229 
1 1 1 -38 6  9  o 106.6504 37.68603 504.5631       294.0082 0.000000       0.000000 504.5631       294.0082 ?        ?        106.6504 37.68603 0.000000       37.68603 
1 1 1 -38 6  10 o 100.5403 32.61055 408.9267       219.8066 821.4479       321.5869 47.22512       301.1276 136.2471 38.53291 72.22550 32.77656 64.02158       50.58743 
1 1 1 -38 6  11 o 77.31041 31.17368 197.7292       217.6107 -9.740844      304.6112 413.9708       310.9839 69.38803 32.03555 96.91756 37.84077 -27.52953      49.58024 
1 1 1 -38 6  12 o 77.16266 31.12971 198.9468       217.1168 482.0910       295.4803 -133.3335      320.0936 103.1013 37.61220 65.12475 30.93139 37.97657       48.69732 
1 1 1 -38 6  13 o 69.21741 29.48979 113.8971       210.3674 166.8465       265.7340 25.00350       344.3118 76.60915 32.90271 73.30126 33.91879 3.307884       47.25539 
1 1 1 -38 6  14 o 106.0986 31.38555 453.7686       208.9814 406.8368       273.1363 520.0359       324.5603 96.35482 35.98096 104.2511 39.16167 -7.896263      53.18144 
1 1 1 -38 6  15 o 72.21044 29.96005 154.2607       208.2613 88.87374       287.0525 226.9299       302.6154 72.50414 32.53201 81.73592 35.10833 -9.231773      47.86362 
1 1 1 -38 6  16 o 85.47221 30.99428 287.7774       200.2299 188.6121       267.1944 414.7943       302.3976 77.59937 33.15300 95.50349 37.30717 -17.90412      49.90938 
1 1 1 -38 6  17 o 126.8165 27.44824 603.6207       198.2131 586.4014       274.5608 622.3633       286.4482 113.5895 36.41156 116.1005 37.18891 -2.510933      52.04629 
1 1 1 -38 7  1  o 90.23573 35.95818 305.4878       285.9989 264.0639       386.9251 355.3772       424.6258 89.83705 39.13966 95.66380 41.34305 -5.826744      56.93119 
1 1 1 -38 7  2  o 126.6456 37.17738 677.5739       294.1688 231.8844       391.2166 1257.410       446.2247 88.10603 38.84092 162.5865 45.17910 -74.48047      59.57993 
1 1 1 -38 7  3  o 66.21786 30.63747 -55.70357      280.7946 -242.8058      385.0350 156.8444       410.3828 68.07841 32.75844 85.00048 38.44967 -16.92207      50.51230 
1 1 1 -38 7  4  o 62.27883 29.32270 -128.4708      276.1176 -67.62482      379.9064 -196.6025      402.0087 73.68138 34.59839 70.74516 33.89228 2.936226       48.43280 
1 1 1 -38 7  5  o 91.34203 39.97827 294.9561       407.7118 0.000000       0.000000 294.9561       407.7118 ?        ?        91.34203 39.97827 0.000000       39.97827 
1 1 1 -38 7  6  o 61.78004 28.68951 -75.36069      249.6585 -18.39664      317.1475 -168.1775      404.8314 70.81809 32.69306 71.54981 34.20578 -0.7317200     47.31671 
1 1 1 -38 7  7  o 130.3153 33.43405 678.2214       256.7629 681.0520       332.6785 674.0510       403.8044 121.4637 40.16164 115.2134 43.59327 6.250328       59.27335 
1 1 1 -38 7  8  o 44.72805 22.29452 -477.9532      234.5434 -706.1519      294.5555 -82.60156      387.7060 46.87762 23.59336 72.88873 34.44812 -26.01111      41.75309 
1 1 1 -38 7  9  o 88.65246 31.87592 305.1032       211.2298 233.7377       298.6346 376.5542       298.8136 83.53230 35.34359 94.51059 37.03666 -10.97829      51.19456 
1 1 1 -38 7  10 o 69.76989 29.60008 115.6217       210.4080 182.3519       295.0508 46.57054       300.1382 79.64340 34.44112 71.96838 32.68465 7.675026       47.48133 
1 1 1 -38 7  11 o 71.00884 30.05635 127.9809       216.1072 365.5828       306.3933 -107.2429      304.8560 92.80864 37.13955 64.94054 30.64778 27.86810       48.15218 
1 1 1 -38 7  12 o 87.19318 32.77086 300.0076       227.3370 431.9331       318.0096 162.1216       325.1142 97.65353 38.22563 79.24571 35.14835 18.40782       51.92884 
1 1 1 -38 7  13 o 101.4144 32.79073 425.3881       222.3464 576.1670       290.7710 213.0774       345.0378 112.3859 37.55834 82.64621 36.45354 29.73966       52.34014 
1 1 1 -38 7  14 o 90.67148 32.35549 334.0145       217.1935 480.7259       276.0152 95.45883       351.9621 103.3982 36.51665 76.64420 35.03345 26.75400       50.60443 
1 1 1 -38 7  15 o 54.06762 25.60408 -132.1907      216.2101 -235.9074      242.9098 263.3285       474.3563 52.95150 25.61267 87.69088 40.30122 -34.73938      47.75141 
1 1 1 -38 7  16 o 56.42297 25.85337 -34.00249      193.2276 -99.57455      252.5431 58.59044       300.0993 59.58085 28.04950 71.34829 32.51175 -11.76744      42.93935 
1 1 1 -38 7  17 o 80.92155 30.61336 252.1360       199.1195 417.3584       275.9582 72.68266       287.5972 95.79998 36.08408 70.87865 32.11219 24.92133       48.30376 
1 1 1 -38 8  1  o 85.40517 34.57177 254.8746       268.7995 344.3066       352.0650 129.8810       416.2175 93.68269 38.91864 83.98077 38.27595 9.701912       54.58671 
1 1 1 -38 8  2  o 81.69782 33.82017 211.8474       264.5557 95.67793       350.9439 364.7602       402.6369 78.97281 35.65546 95.39046 40.72407 -16.41766      54.12727 
1 1 1 -38 8  3  o 181.9477 26.12990 1164.355       270.8377 1290.196       352.4987 983.0103       423.1539 181.2972 34.41078 140.2512 45.22646 41.04605       56.82900 
1 1 1 -38 8  4  o 98.27493 39.60145 416.3799       350.9284 416.3799       350.9284 0.000000       0.000000 98.27493 39.60145 ?        ?        0.000000       39.60145 
1 1 1 -38 8  5  o 160.8013 31.57583 984.1789       287.1475 1251.387       393.8771 681.0611       419.5096 169.4556 40.23620 115.1533 44.22342 54.30224       59.78849 
1 1 1 -38 8  6  o 135.8378 34.52816 748.1395       275.6170 701.4493       371.1812 805.5211       411.4906 119.7864 42.34267 125.0645 44.54539 -5.278061      61.45888 
1 1 1 -38 8  7  o 66.73425 32.48331 -322.9513      407.2022 0.000000       0.000000 -322.9513      407.2022 ?        ?        66.73425 32.48331 0.000000       32.48331 
1 1 1 -38 8  8  o 124.8396 30.63521 600.3353       222.5921 1088.249       313.8286 106.3796       315.7657 166.2612 33.34616 76.47553 34.23178 89.78565       47.78893 
1 1 1 -38 8  9  o 81.55206 31.62889 240.5915       216.1216 540.6652       297.4450 -95.00079      314.5565 109.4145 37.96033 66.53124 31.31630 42.88322       49.21075 
1 1 1 -38 8  10 o 93.00238 32.20924 347.0001       214.1024 617.2852       289.5927 21.15905       317.9651 117.7054 37.35820 71.77602 32.99015 45.92943       49.83960 
1 1 1 -38 8  11 o 137.1505 28.34274 700.7593       220.4342 738.3448       311.0291 662.8276       312.4579 127.7611 38.40953 119.6492 38.88609 8.111908       54.65730 
1 1 1 -38 8  12 f 93.67040 32.21031 355.8042       213.9755 175.4561       291.9498 565.1201       314.5237 78.46398 34.09363 109.4469 38.94881 -30.98294      51.76278 
1 1 1 -38 8  13 o 117.5963 31.98106 558.2048       226.3451 657.7682       314.5119 451.2368       325.9976 118.1387 39.04919 98.50559 38.66008 19.63316       54.94944 
1 1 1 -38 8  14 o 83.66099 32.12987 269.7099       221.4430 179.0080       295.2364 386.3644       334.8209 78.45514 34.18489 93.17414 38.25552 -14.71900      51.30391 
1 1 1 -38 8  15 o 63.49710 27.89223 56.67563       200.0813 36.24437       250.3229 92.82017       332.9464 66.61951 30.09236 75.19657 34.25740 -8.577057      45.59737 
1 1 1 -38 8  16 f 89.41567 30.96552 323.1653       197.8860 556.9142       258.0064 -10.79543      308.3921 112.2405 35.21490 68.34417 31.78821 43.89632       47.44027 
1 1 1 -38 9  1  o 88.63506 34.69949 296.7621       262.0714 593.5371       348.2368 -90.83804      397.9725 112.8027 40.87897 73.89370 34.91652 38.90903       53.76108 
1 1 1 -38 9  2  o 69.48981 30.66319 64.74435       244.3692 -58.98944      313.8090 255.3782       389.5123 68.76292 32.01105 88.63346 38.92600 -19.87054      50.39783 
1 1 1 -38 9  3  o 107.1302 35.10850 477.9128       254.4390 777.6389       334.6064 67.00401       391.7821 131.3803 39.91253 79.51898 36.57491 51.86128       54.13625 
1 1 1 -38 9  4  o 90.51945 33.98476 320.8230       244.3509 187.2724       313.0557 529.0391       390.8912 81.61819 35.38533 105.2205 42.00206 -23.60233      54.92081 
1 1 1 -38 9  5  o 134.4223 33.00452 715.1328       258.2495 792.6473       335.0990 601.7594       405.2632 132.2899 39.88967 109.5892 43.07616 22.70067       58.70895 
1 1 1 -38 9  6  o 102.0315 35.88976 443.2316       266.4191 646.7637       354.9143 180.4958       403.2428 115.8010 41.35635 84.56052 38.19522 31.24048       56.29585 
1 1 1 -38 9  7  o 58.52856 27.78838 -156.6480      257.8843 -78.05209      342.5114 -259.5214      391.8559 69.64919 32.75098 67.18863 32.50682 2.460556       46.14456 
1 1 1 -38 9  8  o 44.51223 22.24984 -514.7673      240.9141 -314.3723      382.1206 -646.9711      310.3695 64.67271 31.47694 49.68306 24.89597 14.98965       40.13237 
1 1 1 -38 9  9  o 71.98318 30.97856 121.1016       236.4681 586.0513       342.2224 -303.7202      327.1212 110.1792 40.43254 60.06773 29.21024 50.11145       49.88014 
1 1 1 -38 9  10 o 130.0762 29.95107 647.9312       223.7617 710.9631       302.0407 571.2543       333.1329 126.1828 37.83122 109.1757 39.91983 17.00710       54.99813 
1 1 1 -38 9  11 o 99.37891 31.85750 399.6795       210.1747 117.4207       272.2160 816.2888       330.7154 73.77351 32.46566 132.9819 39.51884 -59.20837      51.14448 
1 1 1 -38 9  12 o 93.84581 32.17062 358.0298       213.4017 413.0750       288.1959 291.2122       317.5222 96.60993 36.76431 86.80829 36.57193 9.801643       51.85673 
1 1 1 -38 9  13 f 97.87823 32.46518 394.6734       217.3405 490.3647       298.2733 286.3545       317.3441 103.0577 37.75893 86.28728 36.46793 16.77043       52.49426 
1 1 1 -38 9  14 o 59.39738 27.46282 -48.82311      225.0441 125.9269       305.6530 -255.7056      332.5690 75.62443 33.77712 61.45692 29.78456 14.16750       45.03348 
1 1 1 -38 9  15 o 45.02803 22.20934 -337.9699      210.6523 -482.2753      273.7856 -128.5982      329.7830 48.85678 24.30936 65.28813 31.11834 -16.43135      39.48792 
1 1 1 -38 9  16 o 119.8832 30.85359 577.3106       218.1920 756.5346       306.3370 392.7638       310.8527 127.4264 38.07488 92.55827 37.28090 34.86814       53.28754 
1 1 1 -38 10 1  o 113.5745 33.82972 524.2349       242.1288 504.7772       321.3036 549.8062       368.3390 105.9336 39.12510 107.6909 41.41774 -1.757347      56.97546 
1 1 1 -38 10 2  o 134.4842 32.53577 708.5828       253.8000 708.9233       339.2563 708.1501       382.4720 123.6548 40.54098 119.6206 42.90732 4.034187       59.03058 
1 1 1 -38 10 3  o 67.03654 29.97532 34.62080       241.4434 459.4071       309.0880 -630.3254      386.7142 102.0639 38.24258 57.77122 28.76869 44.29264       47.85532 
1 1 1 -38 10 4  o 116.1037 34.06647 552.7833       247.0484 614.4150       313.3190 451.4914       401.6722 116.3375 38.98914 99.38796 41.45204 16.94951       56.90715 
1 1 1 -38 10 5  o 74.26946 31.41213 146.2382       235.7404 174.0206       295.6404 97.73111       390.6445 79.54233 34.43642 80.17393 36.74502 -0.6315994     50.35934 
1 1 1 -38 10 6  o 167.9388 26.48558 1008.524       252.2277 1277.597       322.6934 585.9823       404.3802 183.3845 31.11481 107.6356 42.80140 75.74893       52.91589 
1 1 1 -38 10 7  o 85.76263 32.22412 280.8931       219.7811 11.16336       315.5054 535.1666       306.3324 71.36002 32.82209 108.2744 38.44784 -36.91437      50.55222 
1 1 1 -38 10 8  o 67.96206 30.03992 64.65691       235.4869 -363.5663      350.3462 417.5668       318.0491 60.48969 29.59240 97.11335 38.16415 -36.62366      48.29298 
1 1 1 -38 10 9  f 105.0374 39.31708 518.4560       326.5303 776.4588       429.5312 165.2132       502.5962 118.8572 44.96310 86.15444 40.24126 32.70272       60.34102 
1 1 1 -38 10 10 o 97.24837 35.48108 406.4363       262.9558 174.5486       450.2841 526.4426       323.9290 84.63270 39.02937 105.5515 39.22899 -20.91879      55.33719 
1 1 1 -38 10 11 o 171.7477 24.69308 1039.551       241.5824 1533.549       360.6286 637.3982       325.3818 198.4261 32.08361 115.3811 39.71834 83.04501       51.05785 
1 1 1 -38 10 12 o 79.99454 30.80250 234.2192       203.8971 437.9072       269.9146 -36.50224      311.1752 99.66633 36.00721 68.14984 31.77604 31.51649       48.02328 
1 1 1 -38 10 13 o 93.88970 31.62052 357.6899       206.0637 324.4812       272.6539 401.9247       314.6794 88.69154 35.18511 94.55920 37.70584 -5.867661      51.57249 
1 1 1 -38 10 14 o 62.01125 28.07818 8.240387       219.4898 22.91466       292.5254 -10.66423      332.0239 69.05316 31.70341 70.24466 32.77617 -1.191498      45.60026 
1 1 1 -38 10 15 o 89.88628 32.37490 335.1407       218.0030 131.7208       282.1857 636.2797       343.3379 74.06633 32.80385 111.3134 40.55366 -37.24706      52.16025 
1 1 1 -38 11 1  o 55.35608 26.33707 -169.3621      234.0734 -399.2899      326.1894 74.73841       336.0922 57.63982 28.27192 76.44088 34.66482 -18.80106      44.73199 
1 1 1 -38 11 2  o 44.51373 22.21036 -491.0939      235.3238 -664.1057      301.9808 -223.5833      375.5018 48.59580 24.38030 67.27980 32.36808 -18.68400      40.52273 
1 1 1 -38 11 3  o 93.39479 34.55100 353.6164       250.7495 386.6409       322.8094 303.3771       398.1533 95.41994 38.14277 90.61377 39.58659 4.806175       54.97243 
1 1 1 -38 11 4  o 73.68890 31.20462 141.2966       233.1073 202.8593       291.5191 32.13293       388.1928 81.25185 34.66895 77.21975 35.83024 4.032104       49.85722 
1 1 1 -38 11 5  o 57.21061 26.89993 -116.9984      230.9836 -70.86455      286.6367 -202.4425      390.0881 65.25644 30.45033 68.76618 33.05943 -3.509743      44.94606 
1 1 1 -38 11 6  o 67.37750 29.82675 57.28577       233.0114 36.92535       284.1998 99.04008       406.9875 70.36625 31.89674 80.64104 37.15868 -10.27479      48.97111 
1 1 1 -38 11 7  o 125.4792 29.92886 602.2228       217.1496 624.1118       298.1825 577.5058       316.8595 117.7800 37.96375 111.3854 39.14328 6.394638       54.52927 
1 1 1 -38 11 8  o 138.9825 27.45961 708.2409       215.8823 963.6200       298.5051 428.1948       312.5891 154.8431 33.81982 97.91712 38.02105 56.92600       50.88596 
1 1 1 -38 11 9  f 79.57477 32.06102 220.0201       229.9739 38.19114       340.6292 372.3250       311.7505 73.90176 34.03209 93.16518 37.40101 -19.26342      50.56697 
1 1 1 -38 11 10 o 229.4061 25.81032 1873.724       341.2370 0.000000       0.000000 1873.724       341.2370 ?        ?        229.4061 25.81032 0.000000       25.81032 
1 1 1 -38 11 11 o 52.59277 25.76222 -337.3515      268.1041 -514.4647      486.5945 -260.1454      321.2681 66.74409 33.07145 60.55651 29.33057 6.187588       44.20411 
1 1 1 -38 11 12 o 85.73148 39.06079 231.5904       433.0002 0.000000       0.000000 231.5904       433.0002 ?        ?        85.73148 39.06079 0.000000       39.06079 
1 1 1 -38 11 13 o 49.25814 23.76017 -205.8662      205.5062 -151.9525      272.9576 -276.4181      312.2483 59.45052 28.32887 58.82025 28.58870 0.6302681      40.24723 
1 1 1 -38 11 14 o 71.25979 29.77482 149.1322       207.8021 99.50198       268.4140 223.3799       328.3024 71.38401 31.78283 81.49556 35.76571 -10.11155      47.84698 
1 1 1 -38 12 1  o 97.33669 35.14967 393.1189       257.1753 556.7033       335.2218 159.1089       400.9391 109.2973 40.03190 83.59062 37.88901 25.70670       55.11924 
1 1 1 -38 12 2  o 75.30702 31.74060 156.0645       239.3409 106.6461       300.2999 242.1203       396.2787 75.71665 33.67045 87.31026 38.76075 -11.59361      51.34291 
1 1 1 -38 12 3  o 115.4591 39.47348 616.2065       321.2339 616.2065       321.2339 0.000000       0.000000 115.4591 39.47348 ?        ?        0.000000       39.47348 
1 1 1 -38 12 4  o 76.25896 33.58399 127.9862       291.7879 127.9862       291.7879 0.000000       0.000000 76.25896 33.58399 ?        ?        0.000000       33.58399 
1 1 1 -38 12 5  o 97.62564 34.54170 397.4803       247.0587 265.9058       303.3655 656.6083       425.7332 85.74385 35.91159 111.2765 44.02317 -25.53260      56.81269 
1 1 1 -38 12 6  f 127.7262 28.85178 612.6235       211.0052 548.6835       290.1497 684.3973       307.4105 110.6343 37.52060 123.1157 38.41114 -12.48138      53.69554 
1 1 1 -38 12 7  o 72.34650 30.12683 146.4116       211.6908 325.8141       288.9244 -61.52042      311.0504 89.79713 36.02060 67.48926 31.56699 22.30788       47.89529 
1 1 1 -38 12 8  o 80.84765 31.10355 238.2199       207.7731 638.9185       281.8149 -238.9678      307.5386 120.8289 36.61272 60.20601 29.04723 60.62288       46.73577 
1 1 1 -38 12 9  o 147.4563 24.84104 769.4142       207.1971 862.4410       278.5024 654.0989       310.0760 146.6596 33.16009 118.8747 38.74491 27.78497       50.99764 
1 1 1 -38 12 10 o 46.50054 22.76426 -292.2894      208.3837 -317.6606      283.9359 -262.6702      306.7868 54.98719 26.84449 59.11415 28.63909 -4.126957      39.25333 
1 1 1 -38 12 11 o 138.5739 30.98144 751.4832       245.4566 843.3604       381.7162 686.7087       320.5075 127.4760 43.03679 120.0647 39.40709 7.411247       58.35310 
1 1 1 -38 12 12 o 100.0898 35.86063 448.1068       267.0779 -132.5664      451.9955 759.6052       331.0520 73.23006 35.30180 125.3925 39.95980 -52.16242      53.31982 
1 1 1 -38 13 1  o 90.20747 34.16013 321.4504       248.0751 337.1077       317.8850 297.0623       396.7363 91.62846 37.40808 90.21773 39.46253 1.410728       54.37514 
1 1 1 -38 13 2  o 83.92708 33.27251 256.5597       243.6623 254.2679       304.8262 260.6154       405.5171 85.27298 35.87391 88.35285 39.21753 -3.079872      53.15028 
1 1 1 -38 13 3  o 61.66192 28.57337 -61.71046      245.6348 205.9149       307.1084 -536.9305      409.2375 81.95527 35.28730 61.43664 30.42160 20.51863       46.59042 
1 1 1 -38 13 4  o 117.8884 35.54904 590.8433       266.1336 161.5649       329.5051 1396.335       451.3601 80.10815 35.46534 169.8343 44.71113 -89.72610      57.06904 
1 1 1 -38 13 5  o 98.66162 35.09802 411.6458       255.3841 278.0547       318.4584 652.3700       427.4881 86.82381 36.60475 110.7095 44.01267 -23.88569      57.24529 
1 1 1 -38 13 6  o 69.33052 29.53914 110.7419       211.0869 244.1436       301.7746 -17.05932      295.3721 83.89732 35.51490 68.27705 31.53093 15.62026       47.49219 
1 1 1 -38 13 7  o 56.38724 25.98404 -54.48532      199.0448 403.4103       267.7823 -619.8367      297.5485 96.91465 35.73151 48.73355 24.41385 48.18110       43.27560 
1 1 1 -38 13 8  o 49.54417 23.71955 -175.8525      196.1808 34.87760       261.3476 -447.8688      296.9290 67.97742 30.72281 52.70591 26.06494 15.27152       40.28985 
1 1 1 -38 13 9  o 83.71702 31.78233 268.6933       215.0656 109.1809       300.2164 436.8458       308.2398 74.71271 33.41518 97.95885 37.83216 -23.24615      50.47620 
1 1 1 -38 13 10 o 125.8233 27.89656 593.9108       200.4521 679.5361       260.5646 469.7620       313.7511 127.3142 34.18142 100.1105 38.29559 27.20378       51.33149 
1 1 1 -38 13 11 o 90.09085 30.93496 326.0468       197.3454 346.5015       254.1897 295.0104       313.1093 90.50292 34.50637 86.17215 36.31115 4.330772       50.09180 
1 1 1 -38 14 1  o 70.97247 31.27026 85.33115       253.2402 165.3731       312.8213 -66.86768      431.3632 79.63708 34.93230 75.83001 35.98446 3.807068       50.15125 
1 1 1 -38 14 2  o 163.7253 45.61383 1335.051       454.2118 0.000000       0.000000 1335.051       454.2118 ?        ?        163.7253 45.61383 0.000000       45.61383 
1 1 1 -38 14 3  o 64.60075 29.44933 -6.987657      246.5537 -62.51314      303.6349 100.4880       422.4356 66.97659 31.28174 81.27155 37.59403 -14.29497      48.90663 
1 1 1 -38 14 4  o 116.2236 39.81821 638.0858       326.9084 638.0858       326.9084 0.000000       0.000000 116.2236 39.81821 ?        ?        0.000000       39.81821 
1 1 1 -38 14 5  o 185.5677 21.50147 1161.898       229.6774 1324.831       353.6604 1043.058       302.0394 181.3141 34.51912 162.6101 32.80418 18.70396       47.62020 
1 1 1 -38 14 6  o 161.7560 26.39395 942.7545       241.7627 1027.400       373.2394 881.5675       317.3322 147.6544 41.42619 142.1273 37.52412 5.527054       55.89444 
1 1 1 -38 14 7  o 67.82831 29.65552 82.49311       223.8245 -102.2222      326.5546 246.1592       307.3857 66.66779 31.53997 83.56814 35.62685 -16.90034      47.58195 
1 1 1 -38 14 8  o 47.18468 22.86034 -224.6404      195.5116 45.79868       256.0914 -602.4993      302.7088 67.88517 30.57095 49.45197 24.75195 18.43320       39.33500 
1 1 1 -38 14 9  o 50.18895 24.01294 -169.7158      200.3690 -241.2914      263.1690 -71.00120      309.0600 55.06304 26.64014 66.16220 31.11107 -11.09916      40.95847 
1 1 1 -38 15 1  f 58.38612 27.69658 -146.8549      255.0921 -8.007588      308.5609 -446.6460      453.4000 69.69073 32.19918 66.41305 32.72390 3.277679       45.90905 
1 1 1 -38 15 2  o 98.20165 34.82242 409.1055       251.2081 513.9806       304.6336 186.2414       444.0803 105.7574 38.24684 85.09549 39.06624 20.66187       54.67167 
1 1 1 -38 15 3  o 99.85249 34.85423 425.6774       250.9569 559.8478       311.5590 177.8022       423.4756 109.4554 38.78357 83.91997 38.38523 25.53543       54.56731 
1 1 1 -38 15 4  f 70.95471 30.64874 114.5126       233.1229 -58.42920      282.7922 481.2905       411.8310 64.94141 30.28410 99.05203 41.68578 -34.11063      51.52505 
1 1 1 -38 15 5  o 134.6303 30.77025 705.7507       237.6356 986.0609       345.5420 454.2066       327.3320 147.7598 39.22443 98.84734 38.75555 48.91242       55.14117 
1 1 1 -37 0  1  o 105.1450 54.19728 658.8915       427.8406 658.8915       427.8406 658.8915       427.8406 105.1450 54.19728 105.1450 54.19728 0.000000       0.000000 
1 1 1 -37 0  2  o 52.35566 36.42105 -204.4393      397.5392 -204.4393      397.5392 -204.4393      397.5392 52.35566 36.42105 52.35566 36.42105 -0.000000      0.000000 
1 1 1 -37 0  3  o 78.42188 47.75055 332.3969       412.2317 332.3969       412.2317 332.3969       412.2317 78.42188 47.75055 78.42188 47.75055 0.000000       0.000000 
1 1 1 -37 0  4  o 57.69617 39.47428 -90.85449      422.1816 -90.85449      422.1816 -90.85449      422.1816 57.69617 39.47428 57.69617 39.47428 0.000000       0.000000 
1 1 1 -37 0  5  o 201.4959 45.03327 1580.943       464.7782 1580.943       464.7782 1580.943       464.7782 201.4959 45.03327 201.4959 45.03327 0.000000       0.000000 
1 1 1 -37 0  6  o 76.53324 47.61263 304.7574       431.0070 304.7574       431.0070 304.7574       431.0070 76.53324 47.61263 76.53324 47.61263 -0.000000      0.000000 
1 1 1 -37 0  7  o 64.98352 42.84224 99.17225       418.7501 99.17225       418.7501 99.17225       418.7501 64.98352 42.84224 64.98352 42.84224 0.000000       0.000000 
1 1 1 -37 0  8  o 69.75346 44.49346 207.2341       403.2557 207.2341       403.2557 207.2341       403.2557 69.75346 44.49346 69.75346 44.49346 0.000000       0.000000 
1 1 1 -37 0  9  o 57.69356 39.05222 -28.09640      390.7039 -28.09640      390.7039 -28.09640      390.7039 57.69356 39.05222 57.69356 39.05222 0.000000       0.000000 
1 1 1 -37 0  10 o 183.0701 41.55189 1293.849       388.9439 1293.849       388.9439 1293.849       388.9439 183.0701 41.55189 183.0701 41.55189 0.000000       0.000000 
1 1 1 -37 0  11 o 49.44282 34.39563 -180.1589      354.6142 -180.1589      354.6142 -180.1589      354.6142 49.44282 34.39563 49.44282 34.39563 -0.000000      0.000000 
1 1 1 -37 0  12 o 45.86137 31.50722 -106.1313      275.3166 -106.1313      275.3166 -106.1313      275.3166 45.86137 31.50722 45.86137 31.50722 0.000000       0.000000 
1 1 1 -37 0  13 o 38.59344 27.59368 -342.6107      285.0011 -342.6107      285.0011 -342.6107      285.0011 38.59344 27.59368 38.59344 27.59368 -0.000000      0.000000 
1 1 1 -37 0  14 o 90.22842 44.55093 450.5678       282.5229 450.5678       282.5229 450.5678       282.5229 90.22842 44.55093 90.22842 44.55093 0.000000       0.000000 
1 1 1 -37 0  15 o 41.06060 28.85296 -208.0002      268.0529 -208.0002      268.0529 -208.0002      268.0529 41.06060 28.85296 41.06060 28.85296 -0.000000      0.000000 
1 1 1 -37 0  16 o 46.88890 31.91334 -62.65976      268.3109 -62.65976      268.3109 -62.65976      268.3109 46.88890 31.91334 46.88890 31.91334 -0.000000      0.000000 
1 1 1 -37 0  17 o 42.81949 29.63961 -125.6803      254.9441 -125.6803      254.9441 -125.6803      254.9441 42.81949 29.63961 42.81949 29.63961 -0.000000      0.000000 
1 1 1 -37 0  18 o 69.37990 39.16675 267.7323       243.7651 267.7323       243.7651 267.7323       243.7651 69.37990 39.16675 69.37990 39.16675 0.000000       0.000000 
1 1 1 -37 0  19 o 62.05975 36.77959 199.3261       231.7647 199.3261       231.7647 199.3261       231.7647 62.05975 36.77959 62.05975 36.77959 0.000000       0.000000 
1 1 1 -37 0  20 o 81.60081 41.00937 370.8572       241.3753 370.8572       241.3753 370.8572       241.3753 81.60081 41.00937 81.60081 41.00937 0.000000       0.000000 
1 1 1 -37 0  21 o 73.13271 39.75154 304.9156       240.4044 304.9156       240.4044 304.9156       240.4044 73.13271 39.75154 73.13271 39.75154 -0.000000      0.000000 
1 1 1 -37 0  22 o 52.69179 33.81260 90.86923       237.2352 90.86923       237.2352 90.86923       237.2352 52.69179 33.81260 52.69179 33.81260 -0.000000      0.000000 
1 1 1 -37 1  1  o 90.08542 36.38069 278.2631       296.8801 -296.9945      394.6234 1028.404       450.6331 68.58993 33.04491 146.5259 46.61327 -77.93600      57.13811 
1 1 1 -37 1  2  o 227.8925 24.39491 1750.841       320.9798 1848.556       436.2148 1635.462       474.0041 220.4259 34.90459 196.5291 42.37338 23.89684       54.89840 
1 1 1 -37 1  3  o 173.5641 32.05404 1114.938       314.2653 919.3391       417.4919 1370.678       477.3809 140.1168 44.89822 172.4226 46.25493 -32.30583      64.46215 
1 1 1 -37 1  4  o 273.1413 22.02139 2456.222       349.7748 2627.956       484.9712 2270.050       504.9457 268.2579 31.42037 240.8256 36.92738 27.43234       48.48579 
1 1 1 -37 1  5  o 138.5077 37.62642 787.4661       313.5118 663.4885       430.1670 927.9290       457.8743 117.5344 44.87040 136.1108 47.10422 -18.57645      65.05506 
1 1 1 -37 1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -37 1  7  o 57.58043 27.92284 -315.0917      293.4471 -198.4982      430.4511 -416.3249      401.0960 73.75593 35.26346 65.14232 31.82457 8.613609       47.50068 
1 1 1 -37 1  8  f 55.58000 27.08039 -343.1086      284.9339 -165.6401      413.2607 -503.9196      393.3882 73.37559 34.93422 62.09334 30.57337 11.28225       46.42338 
1 1 1 -37 1  9  o 76.22854 33.20232 117.0054       278.2883 37.31264       385.4719 203.7553       402.1776 78.98803 36.31186 87.61342 38.96289 -8.625389      53.26028 
1 1 1 -37 1  10 o 78.45461 33.36668 161.1668       268.4936 -46.09863      367.2427 399.1708       393.5336 74.03490 34.52012 98.10766 40.98238 -24.07275      53.58353 
1 1 1 -37 1  11 o 89.71362 34.86055 305.2281       262.9261 336.7834       351.5366 265.1638       396.1085 93.23076 38.82317 89.87232 39.36834 3.358437       55.29108 
1 1 1 -37 1  12 o 56.95150 26.66777 -109.9283      223.0247 -17.57475      344.9621 -176.2543      292.3390 73.03260 33.84893 61.80970 29.41478 11.22290       44.84394 
1 1 1 -37 1  13 o 104.0828 30.56026 419.3952       198.7536 293.2434       276.4296 554.4081       285.9733 88.05926 35.26397 112.7652 37.23386 -24.70599      51.28263 
1 1 1 -37 1  14 o 75.97606 29.87231 189.4699       194.9430 309.8658       263.9305 44.93836       289.1780 89.11707 34.84163 71.47974 32.31038 17.63733       47.51736 
1 1 1 -37 1  15 o 41.89114 20.71972 -343.5482      187.8825 -365.0136      258.7115 -319.5936      273.3003 50.97744 25.03932 54.14610 26.41266 -3.168659      36.39500 
1 1 1 -37 1  16 o 73.42789 29.19537 171.5785       188.1284 196.6703       261.5515 144.6815       270.7967 79.10230 33.25113 75.84141 32.89550 3.260895       46.77340 
1 1 1 -37 1  17 o 100.4592 29.88945 394.9890       189.0940 410.3882       266.9777 379.4874       267.8630 97.32628 35.71265 94.29900 35.54387 3.027275       50.38612 
1 1 1 -37 1  18 o 122.7502 26.35845 552.4398       184.0858 765.3057       257.3642 329.4479       263.4144 138.1739 32.33558 89.19803 34.82662 48.97588       47.52350 
1 1 1 -37 1  19 o 56.56823 25.11312 15.55945       166.3491 -154.4184      212.8142 282.5399       266.7131 52.47974 25.00909 84.71922 34.38504 -32.23949      42.51807 
1 1 1 -37 1  20 o 135.9026 22.37554 641.4124       172.1401 724.2012       224.1364 522.3525       268.7876 137.9921 28.63442 107.2588 36.11374 30.73331       46.08831 
1 1 1 -37 1  21 o 52.09628 24.12700 -61.70060      174.7614 26.36477       233.8576 -173.0834      263.0013 64.17165 29.02673 57.26643 27.42919 6.905228       39.93634 
1 1 1 -37 1  22 o 50.87765 23.72755 -76.12901      173.6504 -48.35896      231.2732 -112.0180      262.9164 59.37378 27.58604 59.49665 28.19255 -0.1228676     39.44375 
1 1 1 -37 2  1  o 109.5706 37.90390 495.0297       296.4667 314.5413       391.4438 737.8309       454.0149 95.13316 40.36755 122.7786 46.27554 -27.64545      61.40818 
1 1 1 -37 2  2  o 69.52584 31.98590 -48.51745      299.8772 -102.4288      399.6933 20.91064       453.5804 75.49722 35.46270 83.61030 38.77304 -8.113075      52.54476 
1 1 1 -37 2  3  o 90.03752 36.47287 279.8099       299.4172 249.8474       403.5050 316.5233       446.6550 91.54324 39.92481 96.32137 42.00708 -4.778122      57.95330 
1 1 1 -37 2  4  f 312.4400 19.44541 3135.789       354.5489 2268.662       465.7687 4330.521       546.7192 246.6787 33.02384 354.5717 26.48244 -107.8931      42.33076 
1 1 1 -37 2  5  o 168.0176 32.50737 1057.183       308.7396 1361.514       433.5519 744.0722       439.7617 177.8543 42.20330 122.9622 45.70633 54.89207       62.21083 
1 1 1 -37 2  6  o 58.58804 28.30163 -290.1030      294.1663 -334.9157      413.8251 -244.3295      418.2379 68.54884 33.22229 71.57336 34.36285 -3.024521      47.79672 
1 1 1 -37 2  7  o 74.12911 33.13734 57.08925       294.8456 80.41615       422.0381 34.84919       412.0891 83.38081 38.20665 80.92894 37.32708 2.451866       53.41404 
1 1 1 -37 2  8  o 67.82779 31.33524 -54.48506      292.1159 87.77683       403.4755 -211.2025      423.4786 82.44717 37.61867 72.60077 34.78241 9.846405       51.23456 
1 1 1 -37 2  9  o 135.2323 35.77950 741.7867       288.1200 766.1318       384.8662 710.7471       434.5732 126.9170 43.21056 118.8203 45.16220 8.096619       62.50421 
1 1 1 -37 2  10 o 200.5299 24.95224 1385.598       287.1235 1648.625       375.9956 1017.654       444.7060 210.3279 31.44522 141.9480 46.40865 68.37990       56.05859 
1 1 1 -37 2  11 o 95.82784 33.30593 362.5054       229.0248 664.0290       335.2747 98.72139       313.5916 120.7365 40.32991 76.94067 34.29906 43.79588       52.94268 
1 1 1 -37 2  12 o 63.53888 28.57635 5.532456       222.9398 -244.7660      327.3566 222.0365       304.4563 62.70521 30.18119 83.75663 35.57292 -21.05142      46.65123 
1 1 1 -37 2  13 o 59.55226 27.30783 -44.09368      216.1285 17.76034       328.3992 -91.35493      287.0587 73.13401 33.58222 64.65388 30.26813 8.480133       45.20979 
1 1 1 -37 2  14 o 115.8004 28.66483 502.3909       193.6224 583.1495       263.5954 407.7571       285.3425 117.7492 35.35055 97.78624 36.72239 19.96301       50.97249 
1 1 1 -37 2  15 o 83.01905 30.23803 255.8258       190.8669 223.5251       262.4846 292.0684       278.0398 81.47829 33.70452 87.38270 35.23646 -5.904411      48.76067 
1 1 1 -37 2  16 o 101.8385 29.74736 401.8346       188.7413 356.6561       267.4302 446.6704       266.4138 92.70645 35.38223 101.6174 35.87696 -8.910912      50.38907 
1 1 1 -37 2  17 o 68.22434 27.96899 128.9159       178.6219 398.3755       249.8504 -152.7839      255.4621 96.77670 34.68346 57.97570 27.56366 38.80100       44.30234 
1 1 1 -37 2  18 o 90.94068 29.37283 322.8539       178.4399 326.1661       244.7454 319.0955       260.7152 89.06544 33.88294 88.23883 34.59030 0.8266144      48.42047 
1 1 1 -37 2  19 o 124.7137 25.49225 564.8154       180.1537 547.1161       235.2394 589.9195       280.1588 114.2780 33.16119 113.8358 36.80770 0.4422379      49.54262 
1 1 1 -37 2  20 o 78.86695 28.67484 232.9893       171.5363 339.1542       213.3758 39.01440       288.4213 90.64005 32.09793 69.33540 31.70068 21.30465       45.11330 
1 1 1 -37 2  21 o 63.96676 26.93148 97.69589       172.0089 80.00850       215.7004 128.5891       285.0694 66.17039 29.01670 73.90707 32.83913 -7.736679      43.82211 
1 1 1 -37 2  22 o 69.51340 27.64559 158.0067       168.7249 316.1514       219.7852 -68.94141      263.2900 87.05498 32.32114 61.43002 28.83201 25.62495       43.31214 
1 1 1 -37 3  1  o 83.81278 35.07220 201.7529       288.9676 509.4094       387.1528 -185.2328      434.2068 108.1027 42.21747 75.12505 35.77881 32.97763       55.33930 
1 1 1 -37 3  2  o 79.20448 34.03485 141.0530       284.6107 390.3862       383.9544 -163.0345      424.0225 99.59433 40.93703 75.05296 35.63345 24.54137       54.27324 
1 1 1 -37 3  3  o 145.1227 34.23114 813.1646       286.5912 970.2021       388.9506 626.6343       423.9039 147.9762 42.55049 115.4169 44.42091 32.55931       61.51228 
1 1 1 -37 3  4  f 236.6888 22.73334 1861.677       311.6912 1475.768       421.6129 2326.799       462.8653 190.4619 39.05669 250.9801 32.18586 -60.51823      50.60983 
1 1 1 -37 3  5  f 112.4963 37.58387 528.1506       291.1698 327.4451       407.7980 736.8835       415.8734 95.47929 40.87858 123.7045 44.69436 -28.22521      60.56933 
1 1 1 -37 3  6  o 64.48868 30.14829 -111.1438      283.1277 304.0759       399.9605 -528.2062      400.8470 93.69321 40.30480 62.36200 30.73571 31.33121       50.68689 
1 1 1 -37 3  7  o 209.5925 25.19687 1507.924       303.5189 1846.599       417.7983 1129.430       441.6774 221.0918 33.24990 153.9338 45.65105 67.15797       56.47632 
1 1 1 -37 3  8  o 85.97487 35.01669 249.8611       277.7424 224.3261       372.5325 281.8176       416.7509 87.73557 38.31122 92.26634 40.40000 -4.530769      55.67683 
1 1 1 -37 3  9  o 82.93133 34.30789 216.7116       271.9916 -117.5087      355.5356 688.3358       422.3425 70.41724 33.19113 117.7061 44.57218 -47.28883      55.57275 
1 1 1 -37 3  10 o 111.5816 32.73090 490.3311       228.0831 774.0419       348.3722 277.4828       301.7454 130.7384 40.90544 88.32860 36.29694 42.40984       54.68750 
1 1 1 -37 3  11 o 134.6862 29.33122 672.0116       225.1096 825.1957       343.4291 556.6169       298.0733 135.7978 40.25021 112.8909 38.03034 22.90694       55.37495 
1 1 1 -37 3  12 o 116.2224 32.10901 531.2097       226.1109 435.3104       341.0006 606.4599       302.0659 99.64204 39.40604 117.1853 38.24432 -17.54327      54.91324 
1 1 1 -37 3  13 o 78.65485 31.36528 205.5473       217.7551 400.5760       327.1844 50.46851       291.7560 96.69504 38.48386 72.11734 32.53977 24.57770       50.39687 
1 1 1 -37 3  14 o 146.9312 25.45645 763.1736       211.4189 593.3168       310.5938 909.8258       288.5994 114.2225 38.81896 151.7044 33.34817 -37.48193      51.17628 
1 1 1 -37 3  15 o 78.82631 29.56226 220.8031       184.7857 197.4958       244.5815 251.8007       282.0604 78.63991 32.53300 84.22684 34.89904 -5.586937      47.71100 
1 1 1 -37 3  16 o 62.47053 27.14405 55.67512       185.0562 -104.6188      247.5026 258.8974       278.6808 59.48720 27.93094 84.32927 34.79127 -24.84207      44.61580 
1 1 1 -37 3  17 o 49.39898 23.41635 -134.3914      181.6998 153.4539       249.1734 -461.2684      265.5304 74.74209 31.97595 48.73348 24.19613 26.00861       40.09880 
1 1 1 -37 3  18 o 102.0454 30.07574 412.4901       192.1940 328.6982       268.3386 500.7539       275.4059 88.96156 35.02629 105.2280 36.52589 -16.26648      50.60614 
1 1 1 -37 3  19 o 80.51353 28.92050 244.6850       173.8273 199.1016       218.4981 323.2759       286.9001 76.41451 31.08237 88.05017 35.68979 -11.63566      47.32732 
1 1 1 -37 3  20 o 82.24815 33.06760 260.3794       244.0798 131.0680       445.2202 315.9434       291.8455 80.99993 37.84714 87.12371 35.73764 -6.123779      52.05367 
1 1 1 -37 3  21 o 73.38824 28.09097 189.5706       168.8886 272.9937       208.3968 29.93496       288.2790 83.09880 31.34482 68.62399 31.49384 14.47482       44.43377 
1 1 1 -37 3  22 o 91.41951 28.38048 329.6533       168.0483 385.8355       210.5696 231.1027       278.8857 95.47187 31.96257 79.70664 33.95638 15.76523       46.63305 
1 1 1 -37 4  1  o 141.3977 35.70015 790.2456       296.0501 695.7997       399.5034 905.2828       440.9081 122.1251 43.84659 136.4253 46.25238 -14.30019      63.73230 
1 1 1 -37 4  2  o 116.6154 37.35462 561.9626       289.0056 703.8032       385.4028 379.7304       436.8450 123.5581 43.18863 99.39424 42.42565 24.16390       60.54084 
1 1 1 -37 4  3  o 93.30253 36.46422 324.8010       288.9958 462.1104       384.0930 145.6401       438.7407 104.2027 41.62204 87.61560 39.68207 16.58712       57.50705 
1 1 1 -37 4  4  o 66.39979 30.69827 -69.45399      281.1207 -176.8035      372.9660 71.76522       427.7756 70.33158 33.39980 83.74044 38.40643 -13.40886      50.89794 
1 1 1 -37 4  5  o 194.5983 27.10747 1325.686       300.9843 994.1827       396.4760 1776.596       462.4004 148.3703 43.05012 208.7040 39.21730 -60.33371      58.23495 
1 1 1 -37 4  6  o 148.3180 34.26153 856.0016       292.0232 1258.553       385.4268 313.4828       447.4442 175.2857 38.54374 95.14048 41.75406 80.14524       56.82447 
1 1 1 -37 4  7  o 62.03444 29.21544 -141.0590      274.4290 -229.2994      354.6640 -9.400438      433.2193 66.51989 31.85898 80.19013 37.42419 -13.67024      49.14840 
1 1 1 -37 4  8  o 228.9740 22.13472 1744.172       293.5406 1750.973       386.5061 1734.902       451.2262 217.6517 31.16768 205.5768 38.84887 12.07498       49.80622 
1 1 1 -37 4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -37 4  10 o 101.4466 33.01971 407.8636       225.2485 362.4784       346.7518 440.9959       296.2704 95.04968 38.96789 101.9571 37.58528 -6.907433      54.14009 
1 1 1 -37 4  11 o 208.1963 19.54597 1414.359       235.8694 1349.399       357.0694 1464.648       314.1723 186.0248 33.98064 203.0401 27.05653 -17.01530      43.43661 
1 1 1 -37 4  12 o 83.68082 31.73377 255.1700       214.2672 750.1664       320.7292 -143.8252      287.9529 130.0728 38.98094 62.56000 29.60273 67.51276       48.94727 
1 1 1 -37 4  13 o 70.18907 29.50367 120.0425       205.9111 162.8562       295.2730 79.51109       287.2953 78.99783 34.30669 73.40021 32.76789 5.597618       47.44137 
1 1 1 -37 4  14 o 94.68177 31.93528 355.1022       210.1851 604.1555       311.3682 146.6099       284.8872 115.1328 38.86930 77.15758 33.60051 37.97520       51.37915 
1 1 1 -37 4  15 o 130.3706 28.10273 629.1756       208.5355 603.0829       307.9942 651.2628       283.3698 114.8454 38.65792 122.6376 36.61401 -7.792137      53.24492 
1 1 1 -37 4  16 o 50.42636 23.72499 -113.0471      180.1763 -313.0928      238.5535 152.6261       274.9129 49.95269 24.43357 76.39127 33.13923 -26.43859      41.17290 
1 1 1 -37 4  17 o 141.4583 23.84307 701.7960       190.7807 578.8825       255.5894 856.4424       286.6905 116.4310 34.77584 144.0645 34.40641 -27.63351      48.91993 
1 1 1 -37 4  18 o 166.0520 19.56391 917.4956       186.8719 1271.868       251.6936 482.1919       278.9579 191.8525 22.81577 102.9353 36.67542 88.91725       43.19312 
1 1 1 -37 4  19 o 52.75705 24.32719 -53.96101      174.8791 -112.1295      227.5843 29.90465       273.2691 56.24341 26.52408 67.92100 30.97864 -11.67759      40.78238 
1 1 1 -37 4  20 o 86.78978 29.01288 294.3318       173.5064 336.2737       226.3487 234.5741       270.1789 89.80322 32.89444 80.63217 33.83844 9.171051       47.19199 
1 1 1 -37 4  21 o 103.3696 28.87106 419.8299       181.7205 405.5272       235.7320 440.7773       285.2829 96.56969 33.77548 97.34645 36.68385 -0.7767563     49.86470 
1 1 1 -37 4  22 o 87.82904 29.13796 308.2018       175.0724 390.4748       225.8241 184.2626       277.1700 94.80556 33.06487 76.33904 33.19438 18.46652       46.85245 
1 1 1 -37 5  1  o 51.60983 25.47864 -462.0601      279.3990 -702.0854      380.4167 -180.9436      411.6938 56.81461 28.33081 73.38494 34.91864 -16.57034      44.96605 
1 1 1 -37 5  2  o 106.3888 37.08299 463.7440       284.0216 579.8414       394.4033 338.6818       409.3477 112.6497 42.97464 96.36263 41.09830 16.28707       59.46335 
1 1 1 -37 5  3  o 179.5694 28.72535 1150.167       292.3244 1189.995       393.0105 1100.845       437.3539 168.1919 40.35881 153.1183 45.43155 15.07356       60.76890 
1 1 1 -37 5  4  o 170.3389 30.78838 1064.777       296.2572 1274.134       396.6385 800.5945       445.5570 175.3659 39.51560 126.4802 46.17957 48.88565       60.77858 
1 1 1 -37 5  5  o 80.54868 33.79191 180.5762       269.2952 50.30233       346.7655 378.5264       427.4497 77.58992 35.19583 98.32122 41.96727 -20.73130      54.77224 
1 1 1 -37 5  6  o 142.2372 31.73350 762.5649       257.9859 703.7968       325.7144 861.5050       422.6220 127.2647 39.51175 132.5188 45.27703 -5.254051      60.09316 
1 1 1 -37 5  7  o 51.51358 25.18117 -343.7559      252.1965 -371.8652      323.1865 -299.9860      403.2877 58.84129 28.70721 68.32350 33.03693 -9.482212      43.76691 
1 1 1 -37 5  8  o 98.54056 35.23853 389.8371       257.7629 605.0814       334.1538 73.55817       405.0566 116.1274 40.23754 81.62006 37.41113 34.50738       54.94226 
1 1 1 -37 5  9  o 102.8913 33.49257 421.7129       231.7435 909.4417       347.2883 30.20458       311.1512 144.6968 39.72206 73.31236 33.28867 71.38445       51.82642 
1 1 1 -37 5  10 o 91.04984 33.09892 319.7946       228.5374 163.6866       331.4334 461.3008       315.5524 81.61517 35.87318 102.9612 38.62759 -21.34605      52.71600 
1 1 1 -37 5  11 o 115.0032 31.91623 518.1404       222.8454 584.1801       323.6255 458.5919       307.3090 113.3627 39.57946 102.5497 38.19086 10.81296       55.00068 
1 1 1 -37 5  12 o 163.6972 23.34352 917.5153       217.7670 1151.891       314.9359 702.7900       301.4449 173.3511 32.16127 127.2442 37.70843 46.10692       49.56079 
1 1 1 -37 5  13 o 95.17525 32.04956 358.2993       211.6938 321.2157       309.5684 390.8734       290.1361 90.45081 36.91997 96.24503 36.82391 -5.794212      52.14484 
1 1 1 -37 5  14 o 89.69520 31.78504 313.6952       209.2664 217.0748       304.0040 400.7113       288.4993 82.59856 35.32777 96.81635 36.79764 -14.21778      51.01096 
1 1 1 -37 5  15 o 79.94055 30.76957 228.1205       203.4047 456.7625       290.3752 7.842168       285.0149 101.5612 37.24831 68.79368 31.47562 32.76749       48.76629 
1 1 1 -37 5  16 o 90.66183 35.73504 340.1899       279.5804 0.000000       0.000000 340.1899       279.5804 ?        ?        90.66183 35.73504 0.000000       35.73504 
1 1 1 -37 5  17 o 74.00365 28.59999 186.7478       176.2439 -10.10915      224.1010 505.9000       285.3431 61.63716 28.08987 105.3414 37.13510 -43.70426      46.56240 
1 1 1 -37 5  18 o 113.7938 27.70368 489.1915       183.1275 649.1339       241.4657 272.6480       280.9610 126.2697 32.43676 84.23312 34.85981 42.03655       47.61670 
1 1 1 -37 5  19 o 145.4589 22.80325 736.7004       188.1417 712.5443       254.6328 765.7442       279.2069 131.5137 33.05579 133.6485 35.15636 -2.134827      48.25614 
1 1 1 -37 5  20 o 87.38308 29.75810 302.0986       182.5343 449.7201       244.3306 115.6389       274.5969 101.2718 34.42978 72.71045 32.27318 28.56137       47.19076 
1 1 1 -37 5  21 o 53.28040 24.30587 -28.28506      168.3304 -219.7627      213.3841 287.1966       273.8988 49.44654 23.93855 84.21925 34.59204 -34.77271      42.06737 
1 1 1 -37 6  1  o 133.6600 35.07934 706.6069       278.3962 540.4827       354.4265 974.2100       449.8371 110.7470 41.05779 140.5695 46.70884 -29.82252      62.18888 
1 1 1 -37 6  2  o 73.53587 35.16796 -208.5414      428.7584 0.000000       0.000000 -208.5414      428.7584 ?        ?        73.53587 35.16796 0.000000       35.16796 
1 1 1 -37 6  3  o 213.6983 24.76954 1555.972       304.6914 1904.106       409.8534 1125.864       455.5589 227.3095 31.59709 152.4222 46.62381 74.88725       56.32190 
1 1 1 -37 6  4  f 87.09570 35.10056 259.9234       275.7259 251.1706       353.1911 273.5819       441.2018 89.07511 38.08776 93.06776 41.12840 -3.992645      56.05553 
1 1 1 -37 6  5  o 285.1263 31.32364 2992.216       515.1777 0.000000       0.000000 2992.216       515.1777 ?        ?        285.1263 31.32364 0.000000       31.32364 
1 1 1 -37 6  6  o 95.64655 34.60666 357.8097       249.4430 459.4900       308.9829 167.5242       422.6870 104.1960 38.38794 86.95398 39.20642 17.24204       54.87056 
1 1 1 -37 6  7  o 64.91439 29.53223 -21.55046      246.3564 146.6986       303.9322 -343.8425      420.6542 79.77325 34.72297 68.35871 33.21500 11.41454       48.05123 
1 1 1 -37 6  8  o 49.14064 23.85221 -267.3192      215.4310 -357.2116      300.1851 -171.8525      309.3525 56.64606 27.64291 64.08178 30.42794 -7.435715      41.10949 
1 1 1 -37 6  9  o 109.7879 32.83508 477.4504       227.7425 664.6514       323.9985 294.6265       320.1883 121.9550 39.59490 89.78717 37.19120 32.16782       54.32257 
1 1 1 -37 6  10 o 65.76416 29.02957 43.28423       219.2103 -149.2052      317.2876 219.0737       303.2117 65.35786 30.97015 83.66196 35.51513 -18.30409      47.12191 
1 1 1 -37 6  11 o 58.81508 27.10855 -59.78123      216.8081 72.31876       303.8069 -196.8770      309.4982 74.38003 33.41321 62.61845 29.92843 11.76158       44.85704 
1 1 1 -37 6  12 o 67.44487 29.10395 81.93130       209.8079 250.2025       287.6740 -109.2863      306.6617 84.84240 35.20737 65.68446 30.91868 19.15794       46.85642 
1 1 1 -37 6  13 o 76.33012 30.78066 185.2828       212.1753 283.7012       295.2519 80.18029       305.1134 87.28633 35.89025 74.50521 33.47594 12.78112       49.07901 
1 1 1 -37 6  14 o 46.26471 22.56964 -270.9113      199.6545 -499.3729      279.5599 -33.08182      285.2339 49.68683 24.69606 66.87717 30.92005 -17.19035      39.57202 
1 1 1 -37 6  15 o 173.3435 22.02284 1020.331       218.8413 926.7173       313.7187 1109.060       305.4247 148.2010 36.37024 169.0261 31.98161 -20.82507      48.43158 
1 1 1 -37 6  16 o 63.20694 27.49757 60.80099       190.3918 169.7676       256.8719 -72.04091      283.6204 76.38326 32.56613 64.34510 30.11150 12.03816       44.35375 
1 1 1 -37 6  17 o 114.5838 28.42377 500.2812       190.0822 685.6172       264.4621 302.2146       273.3940 127.4595 34.52968 86.77386 34.95852 40.68568       49.13651 
1 1 1 -37 6  18 o 63.37240 27.00513 83.24595       176.4761 -8.880004      233.7542 205.3520       269.1144 62.43134 28.54206 78.84258 33.46355 -16.41124      43.98248 
1 1 1 -37 6  19 o 95.40043 29.78419 362.2638       184.7986 36.31299       251.2572 746.3740       272.7535 66.44712 30.06854 132.3837 34.71123 -65.93659      45.92370 
1 1 1 -37 6  20 o 101.8277 28.67986 405.1632       178.5302 308.6668       237.1481 531.3887       271.2299 86.58587 33.25059 107.7227 36.27747 -21.13684      49.21033 
1 1 1 -37 6  21 o 64.26305 28.47263 60.70269       212.7839 112.9418       242.3288 -115.1998      444.6754 70.06355 30.73884 72.17493 34.84811 -2.111374      46.46792 
1 1 1 -37 7  1  o 73.37327 32.26949 76.29436       268.5508 117.7586       335.7336 2.635079       447.4782 80.58402 35.73114 81.94102 38.17255 -1.356995      52.28631 
1 1 1 -37 7  2  o 52.39830 25.60659 -352.7886      260.2640 -437.2275      325.2835 -202.5554      433.8838 57.38689 28.16512 73.96246 35.37348 -16.57557      45.21678 
1 1 1 -37 7  3  o 57.81550 27.51691 -191.9743      255.9709 -358.1529      322.8465 89.31102       420.0318 59.39022 28.91195 83.70480 38.26487 -24.31458      47.95937 
1 1 1 -37 7  4  o 131.6655 34.63560 687.1028       270.9921 586.4371       355.2523 827.1996       419.0930 113.8821 41.28606 130.0262 45.06184 -16.14415      61.11553 
1 1 1 -37 7  5  o 135.1704 32.64095 701.8328       255.8109 351.4663       322.5285 1296.039       420.0254 94.96532 38.07006 172.3999 41.94705 -77.43462      56.64701 
1 1 1 -37 7  6  o 101.6113 34.54725 413.8954       246.0012 363.3578       311.5681 497.5531       400.8655 95.59766 37.71056 104.9269 42.31005 -9.329216      56.67651 
1 1 1 -37 7  7  f 113.5276 33.91276 516.1392       243.0489 1035.951       306.2389 -368.5407      399.5123 164.5592 32.88220 65.80432 32.06295 98.75490       45.92682 
1 1 1 -37 7  8  o 125.4037 29.93302 589.0547       217.0832 734.0287       308.8965 447.5832       305.1421 130.9840 37.99714 102.2814 38.06275 28.70260       53.78248 
1 1 1 -37 7  9  f 52.69720 24.92506 -144.7171      203.7284 -33.27421      277.9913 -274.0144      299.4329 66.95047 30.79944 59.04062 28.52848 7.909847       41.98190 
1 1 1 -37 7  10 o 74.96069 30.64031 165.3190       213.5845 332.9759       296.0909 -16.55868      308.3928 91.83643 36.59006 70.23131 32.35624 21.60512       48.84423 
1 1 1 -37 7  11 o 96.33440 32.20489 366.5976       213.7847 412.3959       303.7577 321.6461       300.9364 98.21839 37.65348 90.72327 36.63192 7.495125       52.53267 
1 1 1 -37 7  12 o 78.74728 31.05933 209.7039       211.3286 350.7790       302.6612 75.49334       295.2058 92.77300 36.98370 73.69324 33.03398 19.07976       49.58868 
1 1 1 -37 7  13 o 99.95949 31.86051 397.9117       210.4454 238.8441       289.7148 575.5948       306.1983 83.67722 35.07343 112.6524 38.53797 -28.97523      52.10873 
1 1 1 -37 7  14 o 133.8949 28.16348 663.5090       214.1357 818.5070       298.3073 498.7335       307.5723 139.2487 36.19785 104.6992 38.34582 34.54951       52.73221 
1 1 1 -37 7  15 o 79.93613 30.15743 232.7683       192.9272 209.3274       257.3281 262.8575       291.5449 79.60814 33.18846 84.68187 35.31665 -5.073730      48.46380 
1 1 1 -37 7  16 f 88.38350 30.47121 306.5143       191.5345 553.0673       258.9323 8.597068       284.6288 112.9690 35.25368 68.19142 31.29476 44.77755       47.14005 
1 1 1 -37 7  17 o 80.20251 29.97970 240.5781       189.7187 126.8384       255.2274 381.0293       283.6181 72.79041 31.74935 93.26228 36.21555 -20.47187      48.16209 
1 1 1 -37 7  18 o 133.8876 26.54302 658.9792       201.0547 637.4933       281.9781 681.1987       286.7505 118.8154 36.74257 123.0379 36.85495 -4.222534      52.04137 
1 1 1 -37 7  19 o 108.9086 28.08881 454.8242       180.5782 683.3400       233.9597 118.0865       284.0069 131.2717 30.90490 73.49821 32.71047 57.77351       45.00098 
1 1 1 -37 7  20 o 69.76501 28.27345 152.0195       180.0184 143.6436       238.1483 163.1860       274.9731 72.30299 31.10197 75.50581 32.94381 -3.202820      45.30593 
1 1 1 -37 7  21 o 138.5084 31.16404 771.9524       247.0109 429.4665       456.2884 913.9276       293.7814 91.99986 41.16749 145.9079 34.81805 -53.90803      53.91715 
1 1 1 -37 8  1  o 122.7905 45.61967 753.0890       437.9925 0.000000       0.000000 753.0890       437.9925 ?        ?        122.7905 45.61967 0.000000       45.61967 
1 1 1 -37 8  2  o 73.81410 31.97401 102.4934       255.1536 165.6708       322.9102 -2.518269      416.3126 82.30649 35.80855 79.55941 36.98058 2.747078       51.47636 
1 1 1 -37 8  3  o 194.8142 23.33148 1279.320       261.2756 1194.460       323.1457 1439.532       444.0114 178.6366 32.02071 181.4980 42.47056 -2.861404      53.18904 
1 1 1 -37 8  4  o 99.62256 34.27938 394.0028       242.3608 14.01281       293.6048 1206.677       429.3737 71.37738 32.38094 162.1664 44.02520 -90.78903      54.65111 
1 1 1 -37 8  5  o 182.2741 42.04053 1450.237       440.2444 0.000000       0.000000 1450.237       440.2444 ?        ?        182.2741 42.04053 0.000000       42.04053 
1 1 1 -37 8  6  o 79.50761 32.72223 191.3249       245.7268 289.7082       303.5940 4.442798       418.4237 89.36951 36.53025 79.29179 36.92971 10.07772       51.94481 
1 1 1 -37 8  7  o 88.47533 31.87570 294.0834       211.3496 157.4144       297.0488 434.2009       300.7729 79.60045 34.48983 101.1948 37.76358 -21.59439      51.14329 
1 1 1 -37 8  8  o 51.74467 24.61997 -167.0215      204.5930 -261.8184      278.8004 -56.40295      301.1691 57.23056 27.62286 67.94793 31.53891 -10.71737      41.92524 
1 1 1 -37 8  9  o 77.12457 30.59075 191.7775       206.0626 241.7990       279.7281 132.4247       304.7042 84.36764 34.83671 78.06857 34.35238 6.299065       48.92527 
1 1 1 -37 8  10 o 64.33472 28.02436 54.81450       198.2956 250.9320       268.2002 -181.6626      294.5068 84.55473 34.42052 61.71322 29.41234 22.84151       45.27535 
1 1 1 -37 8  11 o 142.3191 26.94623 729.0618       216.6783 776.0138       307.2489 682.6073       305.6165 134.3426 37.54803 124.4109 38.21260 9.931656       53.57291 
1 1 1 -37 8  12 o 62.28695 27.82428 16.45316       207.4942 -129.4922      287.8794 174.2480       299.3380 62.90775 29.71679 79.76539 34.59162 -16.85764      45.60337 
1 1 1 -37 8  13 o 60.00465 27.26783 -19.49946      209.2899 19.70302       289.5814 -62.36931      302.8238 69.92375 31.89123 67.03555 31.28639 2.888206       44.67537 
1 1 1 -37 8  14 o 74.37023 30.27825 171.9997       207.5622 67.27162       284.9037 290.4595       303.0065 71.83320 32.30575 87.12959 36.14294 -15.29639      48.47653 
1 1 1 -37 8  15 o 56.17155 25.79169 -44.69388      193.6652 -15.96235      248.1148 -89.49217      309.8161 63.85297 29.27209 65.86844 31.02753 -2.015465      42.65633 
1 1 1 -37 8  16 o 73.75778 29.43301 179.1904       191.8849 186.4019       244.7595 167.6895       309.0956 76.74380 32.20701 78.31203 34.52385 -1.568230      47.21428 
1 1 1 -37 8  17 o 50.36620 23.91829 -138.8931      191.2624 -13.29796      251.1296 -312.3674      295.1407 63.88195 29.34596 56.05557 27.36671 7.826378       40.12633 
1 1 1 -37 8  18 o 92.41930 32.33081 353.9134       216.0045 167.0342       265.2680 721.6780       372.1255 75.78890 32.71504 116.6204 42.25849 -40.83150      53.44206 
1 1 1 -37 8  19 o 69.65805 28.70053 143.7413       189.3146 44.35596       253.6437 268.7441       284.4611 67.00267 30.27593 83.43848 34.84806 -16.43581      46.16296 
1 1 1 -37 8  20 o 72.72336 28.53371 182.8614       177.5436 81.97234       229.5224 333.1627       280.1459 67.16401 29.67348 87.84705 35.38874 -20.68304      46.18309 
1 1 1 -37 9  1  o 57.30216 27.29397 -191.5980      252.8467 -162.7431      321.9345 -238.0529      408.4822 65.88000 31.21126 70.59507 33.91048 -4.715065      46.08756 
1 1 1 -37 9  2  o 70.09093 30.85090 62.14649       245.9185 29.60041       301.2569 127.1487       425.7472 72.80714 32.93776 85.09079 38.75471 -12.28365      50.86082 
1 1 1 -37 9  3  o 187.3506 24.85244 1206.929       266.3415 813.7537       326.9332 1982.812       459.2653 137.9895 38.79154 223.9497 36.20187 -85.96021      53.05996 
1 1 1 -37 9  4  o 83.55656 33.10175 239.1347       241.0050 310.3108       296.5856 100.7743       413.5126 90.94777 36.49061 83.07114 37.97201 7.876625       52.66344 
1 1 1 -37 9  5  o 172.7056 25.34650 1035.782       249.0939 900.3949       302.9947 1318.076       437.5182 150.3459 35.01755 169.8972 43.67201 -19.55128      55.97744 
1 1 1 -37 9  6  o 97.51333 33.67410 378.1449       233.9511 498.2513       280.9930 106.7685       422.3752 108.2545 36.92052 83.34756 38.20279 24.90697       53.12794 
1 1 1 -37 9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -37 9  8  o 137.7284 28.02584 690.4141       218.6666 764.2623       302.8837 610.0228       316.0169 134.4436 37.16993 116.6222 39.15747 17.82139       53.98992 
1 1 1 -37 9  9  o 49.48870 23.82516 -213.5213      204.2621 -237.6010      274.2905 -183.5418      306.0532 57.45261 27.64634 62.82300 29.95300 -5.370388      40.76153 
1 1 1 -37 9  10 f 134.4867 27.26410 655.1589       207.6710 753.8016       276.3528 527.1890       314.7643 136.4239 34.51836 108.0704 38.90471 28.35346       52.01052 
1 1 1 -37 9  11 o 173.2985 20.85296 1000.590       207.6864 888.9555       279.1544 1138.984       310.8159 151.0930 32.47033 172.3383 31.92730 -21.24524      45.53761 
1 1 1 -37 9  12 o 70.09794 29.16535 127.9974       198.1480 149.3269       271.8817 103.8335       289.3837 76.53953 33.07998 74.69732 33.14424 1.842209       46.82761 
1 1 1 -37 9  13 o 74.95466 30.01184 181.0280       200.1906 457.0280       286.5399 -82.14948      279.8047 101.6201 37.04387 63.87200 29.89599 37.74813       47.60271 
1 1 1 -37 9  14 o 52.35910 24.78424 -134.7312      202.1674 -297.6011      279.7632 43.27720       292.4760 55.28154 26.91224 70.85378 32.21230 -15.57225      41.97501 
1 1 1 -37 9  15 f 51.76296 24.48968 -129.5770      196.9193 196.0416       254.2180 -618.0415      311.3638 78.03842 32.79143 50.05986 25.06312 27.97856       41.27273 
1 1 1 -37 9  16 o 66.44717 28.28837 100.2658       193.3225 53.81480       245.3714 176.2964       313.9208 67.37150 30.16481 78.91643 34.79121 -11.54493      46.04720 
1 1 1 -37 9  17 o 107.3862 43.14954 639.4014       415.3498 0.000000       0.000000 639.4014       415.3498 ?        ?        107.3862 43.14954 0.000000       43.14954 
1 1 1 -37 9  18 o 90.28705 30.73696 328.0795       194.7381 350.7422       252.8025 295.0068       305.3943 90.70771 34.45298 85.83375 35.99583 4.873962       49.82677 
1 1 1 -37 9  19 o 66.31731 28.22312 105.7538       192.3135 525.6530       260.3535 -398.4679      285.2999 108.0128 35.52048 52.15959 25.74935 55.85324       43.87178 
1 1 1 -37 9  20 o 93.72449 30.79426 362.5921       195.6965 376.4055       261.4402 344.9900       295.1243 91.72972 34.98999 88.29801 36.04566 3.431709       50.23534 
1 1 1 -37 10 1  o 76.35454 32.29900 147.1968       249.3036 301.1323       304.8836 -163.4169      433.0869 90.49760 36.75117 74.51888 35.55761 15.97871       51.13699 
1 1 1 -37 10 2  o 92.36826 34.66380 329.6175       254.1541 344.3697       319.4401 304.1710       419.5409 93.90948 37.80386 93.06761 40.64773 0.8418655      55.51009 
1 1 1 -37 10 3  o 153.0845 29.24700 856.6598       253.0098 1143.315       311.8078 304.1197       432.9015 174.5383 31.62526 93.19502 40.97945 81.34323       51.76362 
1 1 1 -37 10 4  o 195.8838 22.45178 1287.849       253.2729 896.1954       306.3489 2133.685       450.2034 149.2708 35.51230 236.0366 33.45875 -86.76579      48.79151 
1 1 1 -37 10 5  o 158.2084 27.79251 899.3161       248.4689 792.2360       308.7603 1096.088       418.5515 137.2718 37.36085 151.8732 44.28044 -14.60138      57.93609 
1 1 1 -37 10 6  o 119.2755 28.78522 527.1255       199.0378 510.4813       271.0077 546.6169       293.2728 110.0181 36.24292 112.2409 37.72237 -2.222778      52.31182 
1 1 1 -37 10 7  o 58.65322 26.71811 -34.93415      202.4614 -23.48246      272.7559 -48.98622      302.1409 66.90357 30.67826 68.28627 31.65928 -1.382698      44.08476 
1 1 1 -37 10 8  o 51.62387 24.74962 -200.1931      215.2317 -81.44928      303.6982 -320.0149      305.0735 66.82021 31.23370 57.97232 28.19523 8.847893       42.07749 
1 1 1 -37 10 9  o 55.48452 27.69596 -658.3185      367.5965 0.000000       0.000000 -658.3185      367.5965 ?        ?        55.48452 27.69596 0.000000       27.69596 
1 1 1 -37 10 10 o 44.39264 21.88616 -343.5300      203.7879 -233.6592      274.1765 -479.1553      304.6208 57.40410 27.62749 53.16906 26.31320 4.235039       38.15314 
1 1 1 -37 10 11 o 104.5746 30.35361 424.7070       197.0688 619.7715       260.2114 162.3404       301.7808 122.2485 34.69111 79.00582 34.49084 43.24266       48.91923 
1 1 1 -37 10 12 o 69.70292 28.93016 128.9979       194.2883 -82.28680      253.8385 427.8641       301.8992 61.32260 28.62810 98.43228 37.58705 -37.10968      47.24780 
1 1 1 -37 10 13 o 119.6697 28.96263 543.7924       201.0570 574.8546       268.8003 504.3431       302.9234 114.9989 35.92403 104.8335 38.10715 10.16545       52.37070 
1 1 1 -37 10 14 o 60.49503 27.31233 1.284272       205.9093 -84.51907      276.3252 108.4183       308.7679 63.03375 29.56958 75.18734 33.73769 -12.15359      44.86192 
1 1 1 -37 10 15 o 62.30393 27.58286 39.69853       199.3074 -45.97939      256.5265 170.1856       316.5786 62.83472 29.14561 78.79529 34.82918 -15.96056      45.41518 
1 1 1 -37 10 16 o 71.45167 30.04745 143.3420       213.7168 134.9871       279.4040 155.1230       331.7832 74.63755 32.86700 78.33931 35.07592 -3.701759      48.06829 
1 1 1 -37 10 17 o 129.4074 28.59335 637.1896       211.2177 786.2059       276.1070 426.9557       327.9532 136.7308 34.45178 95.57391 38.36316 41.15688       51.56217 
1 1 1 -37 10 18 o 58.62856 26.38712 6.607997       190.4794 -14.96833      243.1952 40.85074       306.3730 62.73904 28.84209 70.59338 32.42329 -7.854336      43.39511 
1 1 1 -37 10 19 o 72.43622 29.21288 175.1803       191.1296 119.1794       258.2364 243.0200       284.2247 71.52834 31.54369 80.97572 34.38041 -9.447388      46.65851 
1 1 1 -37 11 1  o 56.73194 26.98503 -180.0016      245.4280 -172.3878      305.2602 -193.9206      412.7375 63.65803 30.22652 71.98170 34.44628 -8.323669      45.82782 
1 1 1 -37 11 2  o 80.34105 32.80122 202.5655       244.4222 31.02281       304.6530 512.4526       409.4690 72.84745 33.02270 105.1829 42.63617 -32.33549      53.92904 
1 1 1 -37 11 3  o 84.43707 32.92987 252.6243       235.2847 43.41727       286.1736 689.0599       413.3344 71.98722 32.37612 117.5096 44.18304 -45.52234      54.77549 
1 1 1 -37 11 4  o 66.77180 29.64632 37.65355       231.8917 37.32933       284.4116 38.29652       400.5146 71.40967 32.18238 79.30619 36.65694 -7.896523      48.77947 
1 1 1 -37 11 5  o 118.0122 32.71964 549.6962       234.3303 598.9933       287.5189 452.1714       404.4019 118.2643 37.18422 100.6620 41.75536 17.60220       55.91222 
1 1 1 -37 11 6  o 173.4071 21.47973 1004.085       213.7803 1099.299       295.4645 899.4760       309.6996 171.8045 30.43782 148.3295 35.97516 23.47504       47.12402 
1 1 1 -37 11 7  o 77.92767 30.79979 199.7258       208.2011 7.865327       275.4445 455.4516       318.0011 68.69601 31.24267 101.8258 38.64927 -33.12974      49.69778 
1 1 1 -37 11 8  o 75.60448 30.60938 175.6626       210.7528 276.6428       281.4179 46.70045       318.0275 86.84743 35.29389 73.91052 33.59727 12.93690       48.72818 
1 1 1 -37 11 9  f 69.67445 29.92659 100.3200       219.8669 126.3914       310.0898 73.96105       311.7947 77.55591 34.36650 74.73700 33.68772 2.818909       48.12400 
1 1 1 -37 11 10 o 102.9704 32.54939 427.8045       220.0336 601.1572       313.6399 259.7974       308.7663 114.5081 39.00732 85.66766 36.07624 28.84047       53.13253 
1 1 1 -37 11 11 o 77.08821 35.72659 44.95108       384.2125 0.000000       0.000000 44.95108       384.2125 ?        ?        77.08821 35.72659 0.000000       35.72659 
1 1 1 -37 11 12 o 129.2841 27.75627 619.0203       204.1625 717.2732       268.0892 483.3634       315.0121 131.7327 34.35105 102.3638 38.55370 29.36895       51.63702 
1 1 1 -37 11 13 o 59.07397 26.69089 -5.596057      197.0801 -177.7091      252.2599 264.0192       315.7283 56.53682 27.02114 84.98492 36.16481 -28.44810      45.14461 
1 1 1 -37 11 14 o 80.60281 30.42165 241.8502       196.3691 413.1523       255.6696 -4.569541      306.6447 97.67355 35.07534 69.15041 32.00215 28.52314       47.48071 
1 1 1 -37 11 15 o 92.34314 32.05538 348.4825       212.1175 561.7083       277.7779 50.22845       328.5269 111.4466 36.69184 72.99561 33.54443 38.45103       49.71438 
1 1 1 -37 11 16 o 57.65250 26.64254 -50.61098      211.4086 -37.06682      274.3096 -70.42420      331.7741 64.68304 30.04956 67.81200 31.99359 -3.128960      43.89266 
1 1 1 -37 11 17 o 57.75524 26.64408 -43.91048      210.1185 21.25801       279.4636 -128.6577      318.6906 67.83206 31.08507 64.32684 30.64063 3.505219       43.64780 
1 1 1 -37 11 18 o 125.7831 29.46824 617.9943       213.5545 771.5295       288.0667 430.6578       318.2000 131.8203 36.17301 95.11633 37.92009 36.70392       52.40630 
1 1 1 -37 12 1  o 88.66906 34.36848 293.7257       255.0665 383.3004       319.0225 135.0058       424.6632 96.61263 38.14408 84.75386 38.64141 11.85877       54.29668 
1 1 1 -37 12 2  o 66.86175 29.91486 25.40029       240.8514 -109.4482      294.5235 297.6317       418.4715 65.04111 30.51650 92.15007 40.41248 -27.10896      50.64016 
1 1 1 -37 12 3  o 75.85164 31.70841 157.1750       235.8338 352.4681       288.7850 -233.8277      408.6214 93.87596 36.51871 70.08000 33.72804 23.79596       49.71114 
1 1 1 -37 12 4  o 60.18101 27.92622 -78.86611      235.8803 -184.8239      284.7491 152.8497       421.0889 60.76095 28.94798 84.95855 38.63512 -24.19760      48.27689 
1 1 1 -37 12 5  o 82.24785 32.35885 235.7055       228.8744 296.7674       271.0233 83.89629       427.3369 88.66167 35.10956 82.15106 37.93378 6.510605       51.68804 
1 1 1 -37 12 6  o 71.36765 29.89829 127.5198       210.3596 5.288805       278.3315 290.3525       321.2495 68.77831 31.32898 88.86147 37.06692 -20.08316      48.53310 
1 1 1 -37 12 7  o 45.32434 22.19816 -296.4436      198.8047 -210.9038      259.4231 -418.1563      309.4512 56.66872 27.16920 55.38670 27.24077 1.282017       38.47369 
1 1 1 -37 12 8  o 68.10387 29.11755 95.61845       206.3789 151.1054       275.9400 25.17822       310.9065 77.05373 33.31412 72.04482 32.92949 5.008911       46.84209 
1 1 1 -37 12 9  o 43.74885 21.58063 -339.1431      199.0708 -177.3208      260.8939 -564.6595      307.9880 57.95085 27.63698 51.29362 25.56402 6.657234       37.64734 
1 1 1 -37 12 10 o 48.32693 23.41763 -237.8571      205.3793 -357.3766      281.5462 -101.9246      300.2562 53.77038 26.35174 64.90981 30.56643 -11.13943      40.35741 
1 1 1 -37 12 11 o 77.18184 31.12459 198.6271       216.9468 19.68391       301.8870 389.7358       311.9802 70.42941 32.28755 94.59099 37.60104 -24.16158      49.56132 
1 1 1 -37 12 12 o 79.91422 32.71933 221.3770       244.0555 -140.0111      386.8677 460.2733       314.5432 69.78288 33.38197 99.93016 38.31451 -30.14729      50.81690 
1 1 1 -37 12 13 o 58.20359 27.58563 -136.1014      251.9731 32.62151       318.3977 -418.8474      412.1746 71.80709 33.00742 63.62616 31.32163 8.180935       45.50313 
1 1 1 -37 12 14 o 106.7138 31.06967 457.7787       206.1919 603.4684       272.9905 264.2689       314.6189 116.7206 36.16199 84.50198 36.03485 32.21860       51.05096 
1 1 1 -37 12 15 o 62.25357 28.06367 15.44977       216.4418 78.89902       294.2220 -59.38513      319.5318 72.24078 32.62865 67.42726 31.68329 4.813515       45.48032 
1 1 1 -37 12 16 o 87.81335 31.87769 312.2755       211.8831 425.3688       274.5469 145.7069       333.1919 97.19703 36.11691 77.61807 34.91943 19.57896       50.23742 
1 1 1 -37 12 17 o 72.07237 30.21704 156.0496       215.1246 210.3033       289.8005 89.46059       321.0593 79.23310 34.19803 73.67017 33.59219 5.562927       47.93684 
1 1 1 -37 13 1  o 57.98127 27.46595 -156.2829      249.1677 -180.9841      310.1977 -111.3606      418.3222 63.47090 30.23199 74.55861 35.39712 -11.08771      46.55029 
1 1 1 -37 13 2  o 74.62167 31.77471 136.9740       243.9937 316.4858       305.0805 -181.6450      406.4468 90.74417 36.79539 71.35983 34.15785 19.38434       50.20617 
1 1 1 -37 13 3  o 98.33473 33.48144 388.4922       231.0677 297.8004       278.0018 591.1583       415.5795 88.76217 35.42504 109.1203 43.39061 -20.35814      56.01499 
1 1 1 -37 13 4  o 132.2661 31.69613 676.5444       242.6553 517.7552       297.2074 994.0165       420.2444 108.3873 37.92356 140.7051 45.04182 -32.31776      58.88092 
1 1 1 -37 13 5  o 155.3822 23.48630 829.4723       207.3534 1026.698       295.4882 638.1309       291.0464 163.6410 31.93592 121.2813 37.29776 42.35971       49.10220 
1 1 1 -37 13 6  o 82.61275 31.38976 248.2689       209.8944 -8.990234      287.9510 539.9233       306.5967 68.56020 31.46876 109.4291 38.50023 -40.86887      49.72475 
1 1 1 -37 13 7  o 74.74007 29.75873 178.0774       195.7249 425.8484       251.3837 -203.3356      311.8959 100.7580 34.90073 62.26165 29.83468 38.49640       45.91481 
1 1 1 -37 13 8  o 67.72917 28.59798 105.3700       194.8578 207.9546       247.3769 -62.33546      316.2946 79.57920 32.80003 68.09218 31.84346 11.48702       45.71485 
1 1 1 -37 13 9  o 113.7516 31.39737 512.5806       216.3109 503.2904       292.2538 523.8355       321.6782 105.7588 37.55401 105.9398 39.14424 -0.1810226     54.24551 
1 1 1 -37 13 10 o 86.84888 36.35662 287.7967       310.7005 0.000000       0.000000 287.7967       310.7005 ?        ?        86.84888 36.35662 0.000000       36.35662 
1 1 1 -37 13 11 o 64.12594 28.22953 52.46512       205.9734 123.5028       275.6439 -37.35230      309.9448 74.29608 32.68348 68.15571 31.75686 6.140373       45.57091 
1 1 1 -37 13 12 o 80.68625 32.21566 235.9856       230.0097 560.0740       340.7562 -35.26296      311.7424 106.8735 40.13108 68.23336 31.81165 38.64013       51.21020 
1 1 1 -37 13 13 f 153.7917 29.80387 902.4791       259.1082 939.1484       418.0586 879.6068       330.1716 131.1101 45.02491 138.6778 38.98254 -7.567703      59.55570 
1 1 1 -37 13 14 o 80.93178 33.28624 236.0749       254.0500 507.3514       397.5141 48.76948       330.3098 99.88177 41.41199 73.02781 33.58706 26.85396       53.32020 
1 1 1 -37 13 15 o 117.0641 32.48391 564.9361       230.8599 767.5067       318.3650 340.2948       335.2601 127.7924 38.95391 89.30341 37.59887 38.48902       54.13947 
1 1 1 -37 13 16 o 82.54202 31.05470 266.8296       204.2642 428.4028       264.8207 29.50572       320.9505 97.46395 35.59939 70.86209 32.77526 26.60186       48.38940 
1 1 1 -37 14 1  o 61.55710 28.35612 -51.28641      236.7416 5.616783       282.0632 -186.9229      435.4782 69.03201 31.48067 72.88348 35.01061 -3.851479      47.08265 
1 1 1 -37 14 2  f 52.68268 25.55009 -272.4830      245.8415 -376.4129      298.7805 -54.62165      432.5856 55.44442 27.16679 76.86127 36.34409 -21.41685      45.37540 
1 1 1 -37 14 3  o 83.03103 32.78018 246.3776       235.5969 181.6992       283.6498 390.2589       423.0634 79.67663 34.10243 95.83562 41.34140 -16.15900      53.59185 
1 1 1 -37 14 4  o 137.2274 27.17626 682.6482       210.9767 386.4967       296.6749 985.6504       300.0867 95.67116 37.07043 158.1383 33.40492 -62.46715      49.90096 
1 1 1 -37 14 5  o 50.32000 23.89221 -148.5887      190.6828 -309.0332      252.6827 63.63538       290.6099 52.09590 25.40911 72.49313 32.61297 -20.39724      41.34282 
1 1 1 -37 14 6  o 72.60397 29.70980 154.1179       201.0843 294.3844       268.2544 -25.78926      303.8044 87.42522 34.82925 68.77028 31.83581 18.65495       47.18681 
1 1 1 -37 14 7  o 98.86700 32.03228 393.0370       212.1144 729.1807       292.2328 18.75113       308.3673 130.0154 36.71906 71.11026 32.61179 58.90514       49.11026 
1 1 1 -37 14 8  o 62.17165 27.26918 44.67459       190.5958 282.4873       242.7158 -337.8482      307.8288 85.73874 33.44346 57.09147 27.88895 28.64727       43.54605 
1 1 1 -37 14 9  o 50.64528 24.01269 -139.2484      191.2869 -22.27280      248.1088 -310.6813      300.3598 63.64978 29.21334 57.08620 27.81193 6.563576       40.33512 
1 1 1 -37 14 10 f 100.5938 31.85018 410.0017       210.6046 32.68718       281.1427 892.4758       317.9157 69.37842 31.55737 143.0347 37.46088 -73.65623      48.98148 
1 1 1 -37 14 11 o 46.49044 22.81187 -310.3509      212.9922 -408.9043      247.9118 -32.55923      416.2180 47.99907 23.75159 75.07439 35.54395 -27.07532      42.74939 
1 1 1 -37 14 12 o 76.68814 30.12756 204.9196       198.1478 268.4673       262.1013 120.1539       302.7120 84.00751 34.09003 75.33475 33.63327 8.672768       47.88870 
1 1 1 -37 14 13 o 78.37648 32.31248 209.9111       240.1579 277.8268       367.6175 159.3463       317.2014 86.29341 37.85975 78.06692 34.66664 8.226494       51.33358 
1 1 1 -37 14 14 o 77.52966 32.45863 199.7928       247.6853 389.0472       391.8295 73.84264       319.6490 92.26312 39.79309 73.31931 33.46521 18.94382       51.99433 
1 1 1 -37 14 15 o 66.96341 29.64041 74.41116       230.0517 295.9984       356.5383 -83.64683      301.1216 86.09992 37.54046 64.47994 30.43923 21.61998       48.33046 
1 1 1 -37 15 1  o 60.74108 28.26232 -79.17670      244.1270 -215.6676      302.0348 178.0268       414.6136 60.96919 29.25333 84.90473 38.50257 -23.93554      48.35499 
1 1 1 -37 15 2  o 66.62994 29.91800 28.33318       243.2623 3.021397       304.8950 72.66906       403.5215 70.44683 32.35193 79.74028 36.83516 -9.293449      49.02526 
1 1 1 -37 15 3  o 82.61572 33.03535 243.1027       242.2283 276.6513       305.2086 186.0094       398.1550 86.79762 36.16187 84.38821 38.05043 2.409409       52.49300 
1 1 1 -37 15 4  o 135.7511 26.89237 668.0190       206.5296 354.2466       286.1345 1009.282       298.4058 92.62832 36.25909 160.4550 32.81831 -67.82664      48.90566 
1 1 1 -37 15 5  o 151.5497 24.41830 803.4385       209.6571 856.4034       302.4916 754.4717       290.8508 142.8307 36.09994 133.2332 36.26087 9.597519       51.16694 
1 1 1 -37 15 6  o 148.0670 29.33257 822.0198       245.7075 774.7583       296.7085 925.1611       438.3216 134.4047 36.64260 129.9891 46.00719 4.415665       58.81617 
1 1 1 -37 15 7  o 134.7140 26.60858 658.5359       202.7645 1099.494       273.4339 119.8167       302.2280 173.3813 27.83205 75.94236 33.77415 97.43893       43.76432 
1 1 1 -37 15 8  f 128.7987 28.84979 625.4368       212.5005 727.6326       296.1345 516.9533       305.1087 128.6655 37.16806 105.8597 38.27763 22.80574       53.35393 
1 1 1 -37 15 9  o 158.8016 22.22787 862.5292       201.3535 933.4492       268.3520 771.1605       304.5922 156.2404 30.38036 131.9242 37.56519 24.31625       48.31263 
1 1 1 -37 15 10 o 79.19212 29.98884 228.3774       191.1895 367.4189       252.7177 42.29459       292.3591 93.36481 34.65921 70.60305 32.14021 22.76176       47.26790 
1 1 1 -37 15 11 o 56.20187 26.08924 -68.70705      206.1549 -85.94206      285.6295 -49.96590      297.8484 63.72638 29.94777 66.38427 30.99757 -2.657894      43.10125 
1 1 1 -37 15 12 f 46.70217 22.56087 -204.7618      186.9742 -427.6846      240.2890 137.3547       297.6760 46.38871 23.02946 75.84290 33.63613 -29.45420      40.76451 
1 1 1 -37 15 13 o 93.18568 30.58334 349.6170       193.0465 350.4054       253.3654 348.5258       298.0677 90.72214 34.48360 89.88208 36.39760 0.8400574      50.13884 
1 1 1 -37 15 14 o 58.98376 26.90267 -13.42531      206.0971 43.41706       284.6842 -76.02570      298.7554 69.13487 31.56548 64.58097 30.43571 4.553902       43.84873 
1 1 1 -37 16 1  o 71.38448 31.01412 103.2334       241.5363 -91.72080      294.1424 506.8392       423.2237 65.05170 30.51360 102.0672 42.55798 -37.01551      52.36660 
1 1 1 -37 16 2  o 57.73621 27.26273 -132.5874      241.8407 -215.6441      301.5548 17.11902       404.8548 60.74679 29.16844 77.36053 36.12825 -16.61375      46.43327 
1 1 1 -37 16 3  o 73.49600 31.07702 143.4514       230.6398 284.5698       279.8886 -155.1118      407.1100 86.70174 35.21144 71.32877 34.15444 15.37296       49.05478 
1 1 1 -37 16 4  o 90.21382 32.26048 321.9342       216.0355 32.37032       294.6458 658.5737       317.6953 70.80987 32.24651 119.3346 39.23730 -48.52477      50.78782 
1 1 1 -37 16 5  o 69.44044 28.81193 128.0909       192.6161 34.82773       251.3432 260.8039       299.8257 67.38373 30.32075 85.02638 35.66228 -17.64265      46.80968 
1 1 1 -37 16 6  o 64.34302 27.91485 66.81362       195.0982 227.4183       255.2784 -158.7323      302.5189 81.12095 33.36560 62.68376 29.85661 18.43719       44.77366 
1 1 1 -37 16 7  o 173.2155 22.29704 1023.901       221.2605 1441.194       312.0682 602.0777       313.7579 199.0213 27.46782 113.4301 39.00414 85.59113       47.70538 
1 1 1 -37 16 8  o 47.94738 23.24237 -234.5770      202.8031 -169.7700      274.9452 -311.9132      300.3495 59.38055 28.33340 56.96741 27.76680 2.413136       39.67086 
1 1 1 -37 16 9  o 91.59962 31.82001 337.7401       209.0320 24.51084       290.5218 673.9438       300.9877 69.51918 31.79650 121.5663 38.01985 -52.04709      49.56336 
1 1 1 -37 16 10 o 105.5617 31.18352 448.5918       206.4166 583.1095       296.7639 322.5167       287.3004 112.0902 37.94641 88.54913 35.77866 23.54111       52.15403 
1 1 1 -37 16 11 o 53.74151 24.93899 -68.43924      188.1428 -100.0557      252.1272 -28.71144      282.6250 59.59834 28.04801 65.81728 30.55082 -6.218941      41.47341 
1 1 1 -37 16 12 o 70.95627 29.57782 147.2556       204.3459 575.9333       292.9060 -259.2322      285.2244 110.6317 37.69577 56.56411 27.45310 54.06763       46.63308 
1 1 1 -37 17 1  o 70.39955 30.83569 89.27652       242.9654 190.5268       294.7202 -125.5099      429.2547 80.32480 34.57658 73.72517 35.23942 6.599632       49.36959 
1 1 1 -37 17 2  o 59.98037 27.36200 -26.30409      213.3143 -32.22113      247.8680 -9.408360      418.8482 63.34542 29.11976 76.94648 36.19324 -13.60106      46.45332 
1 1 1 -37 17 3  o 135.4248 28.33058 680.7468       217.7692 784.1078       301.3421 567.7610       315.0601 134.7794 37.00196 110.5621 39.01697 24.21727       53.77238 
1 1 1 -37 17 4  o 243.2390 17.33533 1901.269       245.6743 1769.720       342.6938 2040.361       352.3806 221.7577 26.89910 240.5970 25.35373 -18.83934      36.96449 
1 1 1 -37 17 5  o 151.4476 24.07571 801.8242       206.6919 342.5035       261.9592 1559.433       336.4326 91.20650 34.96659 205.4006 28.71173 -114.1941      45.24407 
1 1 1 -37 17 6  o 151.6167 25.88436 824.2404       221.9072 1007.742       305.7083 619.8716       322.6227 157.8287 34.02973 114.1836 39.53856 43.64505       52.16628 
1 1 1 -37 17 7  o 67.02461 28.57096 99.96499       197.6500 219.1895       253.0773 -86.46724      316.4689 79.96231 33.08787 66.47850 31.32844 13.48381       45.56620 
1 1 1 -37 17 8  o 105.8705 33.12239 468.3216       228.4193 627.7475       329.0139 319.9820       317.3680 113.5027 39.88699 88.50555 36.87444 24.99712       54.32031 
1 1 1 -37 17 9  o 101.7317 33.23781 436.5655       228.1258 1183.848       348.1210 -125.8553      302.0080 166.4934 36.64695 63.30457 30.06054 103.1888       47.39868 
1 1 1 -37 17 10 o 114.8480 37.71916 614.9051       293.6198 0.000000       0.000000 614.9051       293.6198 ?        ?        114.8480 37.71916 0.000000       37.71916 
1 1 1 -37 18 1  o 89.70195 33.15029 322.8747       230.7247 210.9610       269.0756 633.6876       448.4172 80.23222 33.72605 107.7689 44.26255 -27.53671      55.64727 
1 1 1 -37 18 2  o 62.13525 28.54304 -30.09245      237.5604 -19.42085      280.5960 -57.10025      446.3867 66.72347 30.78445 76.22509 36.29551 -9.501617      47.59251 
1 1 1 -37 18 3  o 81.31615 31.56145 243.4409       215.3264 396.7886       287.8968 48.74739       324.3949 95.38380 36.63424 73.22910 33.53308 22.15470       49.66422 
1 1 1 -37 18 4  o 106.9360 31.28382 458.4422       208.6035 274.1854       256.2747 820.2454       359.1122 84.65816 33.93629 128.9817 41.66998 -44.32352      53.74067 
1 1 1 -37 18 5  o 162.9650 25.35437 947.3516       234.4472 999.4025       312.3902 880.2268       354.7517 155.0328 35.16845 135.1216 41.10611 19.91122       54.09743 
1 1 1 -37 18 6  o 76.41922 30.27056 202.0320       201.5190 185.2186       258.5359 228.0619       321.6843 77.23660 32.79129 82.40849 35.79783 -5.171883      48.54640 
1 1 1 -36 0  1  o 43.85195 31.77468 -716.8571      439.7717 -716.8571      439.7717 -716.8571      439.7717 43.85195 31.77468 43.85195 31.77468 0.000000       0.000000 
1 1 1 -36 0  2  o 49.81334 35.23770 -371.6328      421.6641 -371.6328      421.6641 -371.6328      421.6641 49.81334 35.23770 49.81334 35.23770 0.000000       0.000000 
1 1 1 -36 0  3  o 104.8544 53.67437 632.0707       417.7879 632.0707       417.7879 632.0707       417.7879 104.8544 53.67437 104.8544 53.67437 -0.000000      0.000000 
1 1 1 -36 0  4  o 255.8855 32.30465 2209.384       463.8212 2209.384       463.8212 2209.384       463.8212 255.8855 32.30465 255.8855 32.30465 -0.000000      0.000000 
1 1 1 -36 0  5  o 66.32127 42.86935 128.7306       390.4429 128.7306       390.4429 128.7306       390.4429 66.32127 42.86935 66.32127 42.86935 -0.000000      0.000000 
1 1 1 -36 0  6  o 282.9387 28.95014 2627.776       467.8965 2627.776       467.8965 2627.776       467.8965 282.9387 28.95014 282.9387 28.95014 -0.000000      0.000000 
1 1 1 -36 0  7  o 68.42698 43.78505 167.8856       394.2883 167.8856       394.2883 167.8856       394.2883 68.42698 43.78505 68.42698 43.78505 -0.000000      0.000000 
1 1 1 -36 0  8  o 105.0667 52.76674 632.0291       399.4819 632.0291       399.4819 632.0291       399.4819 105.0667 52.76674 105.0667 52.76674 -0.000000      0.000000 
1 1 1 -36 0  9  o 119.2850 53.74913 766.8405       403.0578 766.8405       403.0578 766.8405       403.0578 119.2850 53.74913 119.2850 53.74913 -0.000000      0.000000 
1 1 1 -36 0  10 o 56.15152 37.92898 -40.07693      364.7883 -40.07693      364.7883 -40.07693      364.7883 56.15152 37.92898 56.15152 37.92898 -0.000000      0.000000 
1 1 1 -36 0  11 o 90.44699 48.62410 473.3072       355.9096 473.3072       355.9096 473.3072       355.9096 90.44699 48.62410 90.44699 48.62410 0.000000       0.000000 
1 1 1 -36 0  12 o 189.7312 27.95174 1212.765       291.2578 1212.765       291.2578 1212.765       291.2578 189.7312 27.95174 189.7312 27.95174 0.000000       0.000000 
1 1 1 -36 0  13 o 86.06655 43.85725 403.8394       278.1761 403.8394       278.1761 403.8394       278.1761 86.06655 43.85725 86.06655 43.85725 0.000000       0.000000 
1 1 1 -36 0  14 o 137.1545 40.50687 769.2599       283.2651 769.2599       283.2651 769.2599       283.2651 137.1545 40.50687 137.1545 40.50687 -0.000000      0.000000 
1 1 1 -36 0  15 o 53.80253 35.00965 58.37152       266.3987 58.37152       266.3987 58.37152       266.3987 53.80253 35.00965 53.80253 35.00965 0.000000       0.000000 
1 1 1 -36 0  16 o 45.27161 30.86732 -76.06439      253.3742 -76.06439      253.3742 -76.06439      253.3742 45.27161 30.86732 45.27161 30.86732 -0.000000      0.000000 
1 1 1 -36 0  17 o 97.02799 42.41403 474.4798       251.1178 474.4798       251.1178 474.4798       251.1178 97.02799 42.41403 97.02799 42.41403 0.000000       0.000000 
1 1 1 -36 0  18 o 133.1024 37.15059 707.8124       250.9098 707.8124       250.9098 707.8124       250.9098 133.1024 37.15059 133.1024 37.15059 -0.000000      0.000000 
1 1 1 -36 0  19 f 102.0912 41.81057 507.1905       246.7661 507.1905       246.7661 507.1905       246.7661 102.0912 41.81057 102.0912 41.81057 0.000000       0.000000 
1 1 1 -36 0  20 o 81.19997 40.79292 360.7442       238.7892 360.7442       238.7892 360.7442       238.7892 81.19997 40.79292 81.19997 40.79292 -0.000000      0.000000 
1 1 1 -36 0  21 o 118.6566 38.80081 606.3809       239.2249 606.3809       239.2249 606.3809       239.2249 118.6566 38.80081 118.6566 38.80081 0.000000       0.000000 
1 1 1 -36 0  22 o 144.1474 34.95794 801.7693       256.1136 801.7693       256.1136 801.7693       256.1136 144.1474 34.95794 144.1474 34.95794 0.000000       0.000000 
1 1 1 -36 0  23 o 35.86564 25.63057 -287.2045      244.6788 -287.2045      244.6788 -287.2045      244.6788 35.86564 25.63057 35.86564 25.63057 -0.000000      0.000000 
1 1 1 -36 0  24 o 44.23434 30.25478 -68.37693      247.5864 -68.37693      247.5864 -68.37693      247.5864 44.23434 30.25478 44.23434 30.25478 0.000000       0.000000 
1 1 1 -36 0  25 o 80.24054 41.86787 377.9255       257.4782 377.9255       257.4782 377.9255       257.4782 80.24054 41.86787 80.24054 41.86787 -0.000000      0.000000 
1 1 1 -36 1  1  o 67.86008 31.48890 -104.5164      299.8794 -254.5980      420.5302 50.76192       427.7490 73.22552 34.96742 85.19276 38.81838 -11.96725      52.24545 
1 1 1 -36 1  2  o 162.6209 33.38072 976.8846       307.6883 513.8514       425.4786 1484.485       445.4845 110.6187 43.93097 191.9931 40.82158 -81.37440      59.96942 
1 1 1 -36 1  3  o 115.2909 37.89303 533.2370       296.3109 662.1770       421.1783 406.8745       416.9474 121.4213 44.80400 103.3518 42.58905 18.06951       61.81607 
1 1 1 -36 1  4  o 262.5042 21.30835 2230.230       325.2290 2440.269       456.1869 2013.127       463.7941 262.9505 30.12459 231.9855 35.19215 30.96492       46.32470 
1 1 1 -36 1  5  o 111.8803 37.67551 501.8835       292.5379 367.6122       397.4153 660.6818       432.1912 100.1526 41.45486 120.3882 45.19783 -20.23559      61.32984 
1 1 1 -36 1  6  o 130.2355 36.71293 672.5634       292.4151 604.6002       398.5807 751.7797       430.3149 116.9490 43.50553 127.2561 45.52768 -10.30708      62.97222 
1 1 1 -36 1  7  o 174.4817 30.90516 1098.353       304.6768 1260.126       426.6627 930.0250       435.2210 172.6764 42.43779 141.3681 45.88994 31.30827       62.50482 
1 1 1 -36 1  8  f 167.0210 31.80082 1022.264       300.1272 1110.012       416.7693 927.7399       432.5589 159.3943 43.41657 140.8331 45.75186 18.56123       63.07322 
1 1 1 -36 1  9  o 109.1458 36.72366 480.1284       277.9452 399.1519       388.1035 565.3901       398.2402 100.7818 41.26149 112.5828 43.12532 -11.80096      59.68504 
1 1 1 -36 1  10 o 257.0279 20.30977 2138.178       303.6647 2046.089       421.7136 2237.345       437.6214 237.4754 31.02030 248.9696 30.61489 -11.49417      43.58360 
1 1 1 -36 1  11 o 171.7607 24.61335 1004.103       240.8622 671.1788       366.1024 1258.186       319.8288 121.8213 42.12187 186.3125 30.31111 -64.49123      51.89427 
1 1 1 -36 1  12 o 72.47198 29.87597 132.5979       205.2849 262.6114       278.8477 -21.24600      303.3283 87.54557 35.29276 70.78165 32.41745 16.76392       47.92149 
1 1 1 -36 1  13 o 74.37009 30.09852 157.4821       203.6915 -6.232827      285.0786 328.2370       291.1435 69.59828 31.70401 92.74374 36.49380 -23.14545      48.34193 
1 1 1 -36 1  14 o 55.45178 25.63287 -77.01126      195.8933 39.41964       281.2570 -186.7043      272.9976 71.51334 32.13540 59.68406 28.40939 11.82929       42.89262 
1 1 1 -36 1  15 o 56.55114 25.80936 -43.69707      190.0700 -59.06962      267.8112 -28.09547      269.7991 64.69952 29.92999 66.48953 30.49699 -1.790009      42.73021 
1 1 1 -36 1  16 o 167.8779 20.27085 930.5688       195.5438 1128.546       276.1635 731.5065       276.9194 177.4270 27.42307 134.0891 34.88577 43.33788       44.37389 
1 1 1 -36 1  17 o 41.87558 20.65517 -319.2190      182.2563 -117.2320      258.9009 -517.6515      256.6128 60.47102 28.44737 46.54409 23.21869 13.92693       36.72002 
1 1 1 -36 1  18 o 93.45743 29.84229 337.6088       184.5619 383.2138       259.9052 291.2200       262.1290 95.59467 35.20948 86.95107 34.49782 8.643608       49.29308 
1 1 1 -36 1  19 f 79.74689 29.16561 231.9596       177.8353 9.914263       241.3085 495.9116       263.0959 64.89210 29.40581 106.8609 35.72655 -41.96877      46.27190 
1 1 1 -36 1  20 o 61.23142 26.38443 60.12923       171.9449 129.0221       237.6870 -15.50449      249.0439 72.27547 31.08076 63.95266 29.32115 8.322819       42.72872 
1 1 1 -36 1  21 o 130.2690 24.51438 605.1744       180.4177 615.5914       247.9179 593.4467       263.0526 121.2249 33.67175 116.5431 35.38522 4.681793       48.84568 
1 1 1 -36 1  22 o 120.3081 26.17905 534.5079       179.4526 552.4595       243.3672 513.1161       265.6649 113.4010 33.94911 106.4144 35.90350 6.986565       49.41259 
1 1 1 -36 1  23 o 64.91068 27.24760 105.6939       175.2499 16.98236       245.8323 197.3648       249.8992 64.55827 29.42080 76.84608 32.41359 -12.28781      43.77470 
1 1 1 -36 1  24 o 187.0031 17.84785 1147.497       193.3709 1155.889       278.8951 1139.728       268.3452 175.0693 28.11469 175.3542 26.95474 -0.2848969     38.94861 
1 1 1 -36 1  25 o 40.17619 19.83600 -289.7565      169.4895 -233.4506      250.0159 -337.6377      230.5540 53.06949 25.74435 47.24229 23.28880 5.827198       34.71512 
1 1 1 -36 2  1  o 146.2385 44.59524 944.4747       417.1964 944.4747       417.1964 0.000000       0.000000 146.2385 44.59524 ?        ?        0.000000       44.59524 
1 1 1 -36 2  2  o 100.4021 37.69215 381.2838       300.5585 632.4214       416.4603 108.2921       434.2026 119.4048 44.46064 87.97926 39.69661 31.42549       59.60343 
1 1 1 -36 2  3  o 255.3074 22.49412 2131.094       333.3677 1714.411       456.8021 2605.880       487.6108 209.6387 38.57506 270.0637 31.36922 -60.42502      49.71985 
1 1 1 -36 2  4  o 175.9048 31.15197 1112.829       309.6154 1093.748       430.4837 1133.277       445.6339 157.8007 44.56616 159.5070 45.44359 -1.706253      63.64953 
1 1 1 -36 2  5  o 203.3266 27.04265 1419.553       314.4852 1320.151       432.5578 1531.008       458.0331 178.1686 42.07352 193.1788 41.65533 -15.01022      59.20598 
1 1 1 -36 2  6  o 67.59368 31.10330 -67.74257      283.7571 -81.09123      388.5203 -52.48190      415.4146 76.35677 35.57042 79.46031 36.93661 -3.103546      51.27931 
1 1 1 -36 2  7  o 215.9942 24.19479 1560.799       301.2278 1522.193       416.4337 1603.169       436.2583 197.9333 37.24008 201.8862 38.24538 -3.952820      53.38102 
1 1 1 -36 2  8  o 87.32923 35.00488 249.7223       272.6506 -139.6566      390.6048 619.7137       380.7563 73.87258 34.81052 117.9602 42.74549 -44.08766      55.12667 
1 1 1 -36 2  9  o 87.96587 35.04168 260.7105       271.5143 102.9909       375.8771 432.8014       392.6288 83.01926 37.24016 103.0061 41.75151 -19.98681      55.94657 
1 1 1 -36 2  10 o 218.1695 20.04148 1539.719       253.5705 1939.368       398.9405 1268.817       328.4547 232.5577 29.94426 186.4513 31.13429 46.10638       43.19726 
1 1 1 -36 2  11 o 84.67625 32.91627 243.5170       234.4882 567.4103       360.6383 6.299390       308.6344 112.9447 41.49638 72.84258 33.10617 40.10211       53.08453 
1 1 1 -36 2  12 o 148.9281 28.03164 791.4756       235.8542 1049.981       368.9899 612.9016       306.6826 157.6411 39.88626 119.9657 38.48532 37.67543       55.42593 
1 1 1 -36 2  13 o 59.69010 26.86693 -15.61680      197.5122 209.2165       274.1681 -258.1968      284.7830 82.61832 34.33510 58.40888 28.12269 24.20944       44.38226 
1 1 1 -36 2  14 o 78.06847 29.96222 202.4977       192.4841 336.7558       262.7571 47.00846       282.7707 92.91915 35.16340 72.03604 32.30785 20.88311       47.75209 
1 1 1 -36 2  15 o 70.38874 28.97317 129.1951       192.6794 217.5501       265.6335 31.09047       279.9060 82.15060 33.93705 70.57927 31.85653 11.57133       46.54634 
1 1 1 -36 2  16 o 62.07633 27.14565 40.48876       187.6167 81.96931       268.9753 1.183058       261.8291 72.46941 32.06511 67.07426 30.48772 5.395157       44.24559 
1 1 1 -36 2  17 o 137.4124 24.10592 657.8525       187.1867 720.5934       261.2148 591.6252       268.3742 134.2578 33.32983 118.1013 35.71684 16.15659       48.85254 
1 1 1 -36 2  18 o 112.4510 28.24776 474.5082       186.0249 409.0390       261.8475 541.2238       264.3280 98.10338 35.46201 112.2051 35.70070 -14.10176      50.31992 
1 1 1 -36 2  19 o 128.6672 25.47311 593.1271       185.4165 719.0844       264.5027 471.4287       259.9926 132.5420 33.89688 104.3790 35.51567 28.16302       49.09542 
1 1 1 -36 2  20 o 78.78131 29.42938 225.7800       182.7578 314.0286       252.2509 128.2766       265.1483 88.22202 34.18291 73.88694 32.29142 14.33508       47.02348 
1 1 1 -36 2  21 f 56.10578 25.32507 -9.246159      176.9213 190.4145       234.4526 -273.3113      269.6276 76.40859 31.75242 54.61143 26.54832 21.79716       41.38876 
1 1 1 -36 2  22 o 60.88187 26.47348 57.08399       176.2991 -17.40351      248.5485 132.5091       250.1080 63.08230 29.05723 72.36705 31.49898 -9.284748      42.85450 
1 1 1 -36 2  23 o 58.64963 26.05480 26.54493       179.3631 -43.90371      229.8460 136.2557       286.8304 59.65199 27.64124 74.30952 32.98353 -14.65753      43.03430 
1 1 1 -36 2  24 f 67.81947 27.46944 140.8685       169.8160 91.50795       239.0267 191.1731       241.3015 68.41635 30.25166 75.77631 31.90051 -7.359955      43.96369 
1 1 1 -36 2  25 o 42.62279 20.83235 -237.3601      172.4412 -485.4745      242.9572 14.51304       244.7906 44.65586 22.32501 63.71150 29.15778 -19.05563      36.72305 
1 1 1 -36 3  1  o 68.69425 31.44624 -55.00253      284.9664 -215.9080      388.0296 133.3807       419.8562 71.70940 34.05799 88.40705 39.52985 -16.69765      52.17812 
1 1 1 -36 3  2  o 109.6695 37.66592 477.1573       292.5714 366.0492       400.5966 604.1697       428.3091 100.4956 41.61081 116.8242 44.73034 -16.32861      61.09225 
1 1 1 -36 3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -36 3  4  o 347.2138 18.16646 3798.746       368.6418 3631.419       511.6959 3979.308       531.5469 326.2366 26.98532 342.0372 26.70994 -15.80063      37.96878 
1 1 1 -36 3  5  o 166.6770 31.48586 1007.771       296.5041 742.7917       416.5209 1279.995       422.1765 127.4400 44.87122 175.8185 41.59690 -48.37848      61.18602 
1 1 1 -36 3  6  o 82.65564 34.72216 178.0496       284.9151 -293.8741      406.6993 632.8778       399.2650 70.27779 33.77835 118.9367 43.66809 -48.65886      55.20760 
1 1 1 -36 3  7  o 79.17492 33.74430 140.5145       275.6203 254.7248       392.9489 29.90884       386.6983 92.47066 39.86601 80.66767 36.81496 11.80299       54.26454 
1 1 1 -36 3  8  o 119.5318 36.11265 570.7761       274.4543 516.4997       370.5497 636.7369       408.4923 109.6807 41.69951 117.9777 44.01283 -8.297012      60.62985 
1 1 1 -36 3  9  o 62.29419 28.62242 -65.98427      239.0668 -4.426017      356.0749 -116.5072      322.5838 76.45962 35.05715 68.65750 32.12430 7.802116       47.54971 
1 1 1 -36 3  10 o 57.26911 27.07236 -164.3975      239.7130 -601.2618      363.3221 172.3751       318.9972 57.39808 28.46439 83.28002 35.91164 -25.88195      45.82431 
1 1 1 -36 3  11 o 110.7957 33.38198 478.4342       234.7474 608.8842       350.1846 371.9722       316.3533 117.0064 41.14768 97.37825 38.12358 19.62812       56.09402 
1 1 1 -36 3  12 o 94.63860 32.96678 342.4021       224.4493 373.1411       331.7405 316.4520       304.8058 97.00786 38.70380 92.30113 37.00683 4.706726       53.54895 
1 1 1 -36 3  13 o 184.9713 21.44898 1133.465       228.3730 1138.780       333.3083 1128.761       313.5342 171.1851 34.39424 173.2948 32.02908 -2.109695      46.99815 
1 1 1 -36 3  14 o 178.8083 19.72740 1044.181       203.4404 864.4598       279.1602 1247.734       297.0927 149.9554 32.66870 186.6812 27.99811 -36.72575      43.02486 
1 1 1 -36 3  15 o 36.27821 18.31827 -539.3367      185.8090 -619.9925      258.8717 -453.6278      266.8575 44.63078 22.41620 49.73246 24.61528 -5.101685      33.29261 
1 1 1 -36 3  16 o 78.84306 30.00860 215.1100       192.0326 145.2351       265.5947 291.6529       277.9786 76.35696 32.84559 88.05075 35.32770 -11.69379      48.23774 
1 1 1 -36 3  17 o 122.7366 27.45882 552.8978       192.7029 829.1044       275.6298 288.8026       269.5189 144.5816 33.20659 87.14629 34.84676 57.43533       48.13496 
1 1 1 -36 3  18 o 156.7554 21.24868 827.3053       190.3209 675.9221       266.7650 984.2361       271.6091 127.5133 34.73650 161.9784 29.68509 -34.46507      45.69277 
1 1 1 -36 3  19 o 94.32223 29.66450 345.5493       182.9762 477.9056       256.4929 208.3918       261.1036 105.2915 35.27656 79.72044 33.34756 25.57110       48.54375 
1 1 1 -36 3  20 o 61.15920 26.43315 57.96975       173.6052 285.7268       230.7297 -239.2195      263.5629 85.46277 32.80309 55.37138 26.75788 30.09138       42.33234 
1 1 1 -36 3  21 o 220.4990 14.79871 1534.329       190.2650 1236.405       249.2469 1950.370       294.5399 188.8275 22.97941 240.2375 21.11988 -51.41005      31.21061 
1 1 1 -36 3  22 o 53.70907 24.21145 -10.61187      161.0919 -121.1683      204.7818 168.8695       260.9211 52.86575 25.00019 75.44086 32.50447 -22.57510      41.00671 
1 1 1 -36 3  23 o 54.70446 24.68178 -7.637403      167.8352 37.41687       220.5257 -69.65782      258.7369 63.53547 28.51047 61.19144 28.67581 2.344025       40.43698 
1 1 1 -36 3  24 o 48.20019 22.82391 -118.6512      171.7481 -141.6183      235.0984 -92.36603      251.5082 55.29965 26.33408 59.26183 27.92787 -3.962181      38.38554 
1 1 1 -36 3  25 o 106.3981 28.01003 443.0801       177.1438 242.2131       236.2633 700.9804       267.7120 79.21063 32.28329 125.4705 35.04197 -46.25984      47.64609 
1 1 1 -36 4  1  o 95.57939 36.62043 330.1033       287.2061 332.2798       374.5334 326.9965       447.4718 97.65884 40.31606 99.25379 42.66333 -1.594948      58.69876 
1 1 1 -36 4  2  o 79.63031 34.30005 124.1939       290.3893 69.85933       385.2675 195.6675       441.8723 83.10732 37.45509 92.23060 40.93832 -9.123283      55.48720 
1 1 1 -36 4  3  o 213.3551 25.28290 1533.208       310.2175 1055.649       413.6110 2147.298       469.0229 156.2490 43.52618 240.9656 34.14365 -84.71661      55.32013 
1 1 1 -36 4  4  o 196.2098 27.28016 1326.477       305.4404 1367.833       413.8060 1276.975       452.7294 185.2793 39.30137 171.1491 44.64455 14.13019       59.47886 
1 1 1 -36 4  5  o 192.1315 27.74805 1280.731       303.6190 1295.343       422.8898 1265.185       436.1829 176.8495 41.49255 172.0736 43.27127 4.775894       59.95026 
1 1 1 -36 4  6  o 67.84111 31.14581 -57.42482      282.2912 -46.54629      384.8822 -70.09018      415.2899 77.30437 35.80272 78.56165 36.65671 -1.257286      51.24011 
1 1 1 -36 4  7  o 50.59557 25.03515 -489.7735      275.3033 -312.3140      359.9355 -739.9518      427.3659 65.25480 31.46846 60.79200 30.26810 4.462799       43.66259 
1 1 1 -36 4  8  o 76.61630 33.19669 107.9975       275.1893 93.01719       356.6903 130.0262       432.5380 81.40241 36.41380 87.41151 39.51349 -6.009102      53.73342 
1 1 1 -36 4  9  o 82.00242 32.56866 212.4403       233.8651 152.2094       334.5596 269.9938       327.0390 83.07792 36.29120 90.33885 37.51803 -7.260933      52.19822 
1 1 1 -36 4  10 o 60.19641 27.79404 -79.55559      229.3538 59.33320       335.4433 -201.4866      314.2988 77.74570 35.00184 64.17348 30.52829 13.57223       46.44465 
1 1 1 -36 4  11 o 92.27514 36.33361 315.3926       288.7621 518.3986       353.4282 -92.22080      500.8078 108.7809 40.86556 81.71722 38.77667 27.06363       56.33493 
1 1 1 -36 4  12 o 65.26575 29.07464 18.52238       224.9363 582.9891       340.7127 -417.5818      299.4776 114.2329 40.54959 54.98435 26.99384 59.24854       48.71280 
1 1 1 -36 4  13 o 155.8840 25.49188 845.3296       225.0048 571.0481       334.9981 1070.766       303.7079 112.8409 40.19231 168.7617 31.85282 -55.92081      51.28376 
1 1 1 -36 4  14 o 49.83683 24.01045 -223.1309      208.3565 18.74086       306.0007 -432.1992      284.4945 72.18938 32.86978 52.54160 25.89522 19.64777       41.84477 
1 1 1 -36 4  15 o 46.40966 22.42182 -217.7531      184.7908 -405.0501      254.9728 -10.52610      268.1956 49.61655 24.46529 67.15793 30.65324 -17.54138      39.21953 
1 1 1 -36 4  16 o 56.73262 25.64037 -21.14361      182.0249 -29.63203      249.3277 -11.45586      266.3597 64.00853 29.34345 66.64394 30.46786 -2.635414      42.30046 
1 1 1 -36 4  17 f 91.09457 30.37190 320.6400       190.1623 576.4072       264.0497 45.04924       274.0915 116.5689 35.46431 70.11522 31.59658 46.45373       47.49801 
1 1 1 -36 4  18 o 142.4455 22.58589 695.9194       182.3965 512.1118       246.0434 920.1678       271.7657 110.4939 34.34690 154.8939 30.99922 -44.39993      46.26728 
1 1 1 -36 4  19 o 124.4220 25.64508 557.6248       180.9093 512.8533       242.6708 613.6354       271.4262 110.4856 34.07155 119.0483 35.90121 -8.562675      49.49513 
1 1 1 -36 4  20 o 103.8983 28.40596 413.3873       178.0174 542.5734       244.7800 268.3513       259.3618 113.2074 34.08324 83.97095 33.97090 29.23650       48.12161 
1 1 1 -36 4  21 o 183.9445 17.63405 1101.642       187.9076 1143.534       252.7381 1049.864       280.9834 179.4459 24.66725 165.2160 30.10758 14.22981       38.92223 
1 1 1 -36 4  22 o 166.4327 18.49335 914.2248       177.4674 937.0792       224.2615 875.9349       290.2759 162.3756 24.29517 143.7085 34.81277 18.66704       42.45214 
1 1 1 -36 4  23 o 58.68297 25.28791 56.32826       157.9695 148.8010       196.5147 -112.5575      265.5734 70.28742 29.12724 59.89788 28.36852 10.38954       40.65918 
1 1 1 -36 4  24 o 85.02926 27.76492 280.5246       159.1960 191.2111       200.4436 433.1107       261.9938 74.20470 29.91971 97.28761 35.42817 -23.08290      46.37180 
1 1 1 -36 4  25 o 43.83226 21.16988 -178.8411      164.4095 -341.4417      220.5093 24.69728       246.7112 45.76251 22.59993 64.31268 29.37185 -18.55017      37.06026 
1 1 1 -36 5  1  o 90.51132 35.77649 275.6708       280.9431 350.2031       364.6496 166.8119       440.6923 98.44729 40.11301 90.69138 40.52874 7.755905       57.02309 
1 1 1 -36 5  2  o 58.90350 28.15371 -238.9879      273.9243 -241.5130      359.6551 -235.4996      422.7154 67.99828 32.43430 73.66657 35.14493 -5.668297      47.82416 
1 1 1 -36 5  3  o 208.2547 24.85128 1457.132       297.5420 1182.663       397.1317 1808.365       449.2471 170.2856 40.38156 217.6563 36.48346 -47.37071      54.42163 
1 1 1 -36 5  4  o 235.1691 22.09986 1809.201       301.2314 1515.225       413.8056 2140.596       439.3523 198.1270 36.97201 243.8245 31.45676 -45.69754      48.54336 
1 1 1 -36 5  5  f 126.7578 35.88950 633.1816       278.8182 364.3997       371.1230 981.4743       422.4643 98.92647 40.40727 147.2367 44.87120 -48.31024      60.38354 
1 1 1 -36 5  6  o 90.50229 35.35165 285.9356       271.5154 449.9019       356.3080 58.87175       419.2975 104.8850 40.62971 83.91167 38.31070 20.97337       55.84338 
1 1 1 -36 5  7  o 203.1850 25.31029 1402.609       295.0844 2159.065       401.8170 517.0697       434.7508 248.7745 28.02771 108.7296 43.98381 140.0449       52.15485 
1 1 1 -36 5  8  o 61.43021 28.28868 -73.51112      235.3525 462.9684       349.1112 -520.4503      318.6482 105.3450 40.37146 54.77472 27.07219 50.57025       48.60821 
1 1 1 -36 5  9  o 74.03811 31.01619 127.8583       226.3748 -77.88651      329.2724 312.2667       311.7319 70.77659 32.89482 92.91386 37.36526 -22.13728      49.78185 
1 1 1 -36 5  10 o 57.85129 26.95038 -107.2977      223.0525 20.80624       327.5654 -218.0509      304.5755 75.10034 34.12212 62.47185 29.81191 12.62849       45.31081 
1 1 1 -36 5  11 o 133.3007 29.85038 653.5378       227.5475 914.6525       341.2062 444.3923       305.3694 147.7625 38.86181 103.3513 38.14772 44.41120       54.45630 
1 1 1 -36 5  12 o 132.1251 29.70266 644.2915       224.5502 982.5638       339.5555 381.3768       299.3539 154.3480 37.81386 97.29224 37.35892 57.05573       53.15616 
1 1 1 -36 5  13 o 59.80304 27.25193 -37.44389      210.8792 -86.65452      319.5634 0.5156690      280.6650 68.53928 32.03786 69.29938 31.52498 -0.7601013     44.94718 
1 1 1 -36 5  14 o 221.5365 17.35277 1565.227       223.6595 1754.054       343.8508 1426.745       294.4652 222.8161 26.85397 202.6935 25.32186 20.12260       36.90978 
1 1 1 -36 5  15 f 66.82267 28.65738 81.78319       201.0318 9.180773       285.3708 153.3079       283.2449 69.65766 31.72688 78.11556 33.76266 -8.457901      46.33046 
1 1 1 -36 5  16 o 78.19531 29.72619 212.1451       188.2942 243.4502       258.8602 176.9699       274.3947 83.31010 33.85223 78.81113 33.63163 4.498978       47.71855 
1 1 1 -36 5  17 o 98.33286 29.63815 372.8082       185.0205 28.96390       245.2985 826.5949       281.7993 66.66885 29.98032 142.9828 34.08800 -76.31390      45.39616 
1 1 1 -36 5  18 f 93.05352 29.42447 333.6916       179.7991 79.76143       234.0036 699.6746       280.9286 68.81126 30.19731 128.0674 35.94340 -59.25614      46.94471 
1 1 1 -36 5  19 o 118.5646 26.98455 518.5167       183.4064 584.1025       246.7880 437.6051       274.1097 118.5278 33.83391 99.76489 36.25174 18.76294       49.58752 
1 1 1 -36 5  20 o 61.76836 26.88477 56.00157       182.1861 -30.89857      246.0497 161.4680       271.0627 62.57784 28.85578 76.11360 32.96295 -13.53576      43.80882 
1 1 1 -36 5  21 o 129.9815 25.13654 610.1201       184.6874 844.3199       247.7562 317.2214       277.0702 148.3675 29.51206 87.40546 35.19988 60.96201       45.93466 
1 1 1 -36 5  22 o 151.2462 28.55800 867.4264       244.0333 975.0321       441.4610 820.0762       292.8434 128.3536 46.09052 136.8309 36.00998 -8.477280      58.48978 
1 1 1 -36 5  23 o 71.77634 27.62639 178.1131       163.9677 193.9037       200.9946 146.6970       283.5045 74.72829 30.02022 74.70479 32.99313 0.2350616E-01  44.60673 
1 1 1 -36 5  24 o 59.26043 25.66621 57.52882       164.3647 -76.44666      207.0675 285.7239       270.2418 55.10318 25.76778 83.58353 34.34880 -28.48034      42.93971 
1 1 1 -36 6  1  o 208.6269 25.27451 1468.714       302.9474 1589.002       405.6376 1316.998       455.5593 205.9014 34.83229 174.2200 44.44798 31.68135       56.47045 
1 1 1 -36 6  2  o 200.5371 25.35200 1359.801       291.5138 1351.772       382.8205 1370.882       449.7440 188.1324 36.00731 179.7739 43.19648 8.358490       56.23577 
1 1 1 -36 6  3  f 115.5015 36.56379 531.7543       277.5642 394.5522       357.2114 740.8269       440.9543 101.0454 40.21241 125.4862 45.92088 -24.44077      61.03905 
1 1 1 -36 6  4  o 193.1058 26.60229 1280.693       293.2797 1224.575       374.8743 1369.231       470.8676 176.8962 37.31010 175.7519 45.37254 1.144287       58.74276 
1 1 1 -36 6  5  o 328.2246 29.43115 3799.886       560.5303 0.000000       0.000000 3799.886       560.5303 ?        ?        328.2246 29.43115 0.000000       29.43115 
1 1 1 -36 6  6  o 223.9549 22.74139 1658.218       294.5577 1668.263       371.8942 1641.308       482.5176 215.9122 30.19357 196.6931 43.02834 19.21916       52.56510 
1 1 1 -36 6  7  o 73.46696 32.15788 75.49921       263.8594 -206.5917      337.0515 522.0394       424.0645 66.48141 31.62273 108.8314 43.64478 -42.34995      53.89679 
1 1 1 -36 6  8  o 105.0449 34.04956 429.9250       239.6560 332.9046       342.0516 523.4772       335.8821 95.16020 38.82137 110.6037 40.13800 -15.44350      55.84046 
1 1 1 -36 6  9  o 67.48247 29.84245 33.54451       232.6739 -72.88313      331.7227 136.6107       326.4420 71.11169 33.03911 81.43063 35.70285 -10.31894      48.64439 
1 1 1 -36 6  10 o 90.37103 32.93044 302.5394       226.4057 327.5650       315.9054 276.1100       324.6453 93.61317 37.62566 90.00361 37.37978 3.609566       53.03714 
1 1 1 -36 6  11 o 60.31947 27.57006 -47.06636      217.9358 -198.1861      298.5333 125.3635       318.8882 62.25885 29.65565 79.61604 35.08388 -17.35718      45.93839 
1 1 1 -36 6  12 o 105.6699 32.12105 433.9128       216.6742 563.8932       315.1825 317.4396       298.3567 113.4339 39.08915 91.71059 36.66641 21.72331       53.59466 
1 1 1 -36 6  13 o 50.43280 24.22451 -209.8742      208.4079 -299.9830      313.1162 -138.2037      279.2492 59.75908 28.94713 62.31437 29.38521 -2.555286      41.24836 
1 1 1 -36 6  14 o 62.08547 27.64349 14.99756       203.0649 163.5291       296.3916 -116.3992      278.7719 79.69622 34.49162 63.03643 29.61175 16.65979       45.45907 
1 1 1 -36 6  15 o 108.5510 31.17058 459.3129       208.8629 566.7059       308.7854 368.7394       283.5758 112.3683 38.69171 94.70997 36.36267 17.65830       53.09700 
1 1 1 -36 6  16 o 56.65165 25.90140 -41.25157      192.5428 -106.3569      267.6804 28.54684       277.1604 61.85141 29.04296 69.53896 31.51277 -7.687546      42.85496 
1 1 1 -36 6  17 o 45.19622 21.84929 -207.9478      176.1578 -146.5707      233.8415 -288.4807      267.8585 56.06499 26.57279 54.48718 26.48178 1.577816       37.51530 
1 1 1 -36 6  18 o 89.47346 29.64029 308.3987       181.1784 207.9910       237.4957 448.1842       280.2227 78.87651 32.28348 100.8378 36.65197 -21.96128      48.84250 
1 1 1 -36 6  19 o 172.2559 19.04361 977.2184       189.1777 802.5643       245.5632 1232.207       296.7112 145.0719 29.85818 181.9731 28.75628 -36.90121      41.45401 
1 1 1 -36 6  20 o 84.84351 29.72656 278.8456       182.6519 376.9383       238.2706 139.0599       284.4352 94.29684 33.86107 75.19536 33.13522 19.10148       47.37631 
1 1 1 -36 6  21 o 130.6553 23.86083 605.9121       176.1015 609.3577       228.2298 600.8424       276.8406 122.7801 31.53256 114.9536 36.53136 7.826424       48.25808 
1 1 1 -36 6  22 o 105.7992 27.67040 429.0742       173.6131 339.6975       220.4128 575.1644       281.7963 90.11433 32.54070 111.1132 36.97050 -20.99889      49.25155 
1 1 1 -36 6  23 o 80.58583 28.81304 249.8199       172.3234 65.83654       222.2099 527.4080       272.9446 65.49977 29.05450 106.5388 36.38675 -41.03905      46.56350 
1 1 1 -36 6  24 o 95.36613 28.63881 361.8494       172.9855 221.8465       222.2910 576.8107       275.4442 77.38969 31.39819 110.6432 36.54235 -33.25349      48.17873 
1 1 1 -36 7  1  o 125.1530 36.22152 620.2932       280.9991 718.3123       359.0777 465.4272       451.3477 128.8127 41.67239 106.2772 44.10095 22.53548       60.67522 
1 1 1 -36 7  2  o 96.07739 41.78492 289.8026       439.3636 0.000000       0.000000 289.8026       439.3636 ?        ?        96.07739 41.78492 0.000000       41.78492 
1 1 1 -36 7  3  o 168.6177 29.30299 1009.904       279.2665 599.2529       350.0389 1728.998       463.2043 117.9036 41.16310 208.0019 39.41355 -90.09825      56.98972 
1 1 1 -36 7  4  o 189.3307 33.55164 1336.130       358.9139 1336.130       358.9139 0.000000       0.000000 189.3307 33.55164 ?        ?        0.000000       33.55164 
1 1 1 -36 7  5  o 128.3736 34.07176 635.6647       260.7524 279.8349       328.8148 1238.582       428.0153 91.48528 37.77217 169.3847 43.01306 -77.89939      57.24387 
1 1 1 -36 7  6  o 92.12405 34.53743 310.9559       252.1706 254.7458       320.6836 402.0283       408.1904 89.24351 37.11484 101.0512 41.93659 -11.80773      56.00169 
1 1 1 -36 7  7  o 123.2799 31.45233 569.0325       228.1087 769.2336       329.7258 385.2609       315.9067 135.3172 39.25827 99.01905 38.28417 36.29819       54.83511 
1 1 1 -36 7  8  o 110.7895 32.23294 468.7763       221.9928 491.7906       313.1015 445.5123       314.7957 108.2667 38.82323 103.9724 38.66629 4.294258       54.79348 
1 1 1 -36 7  9  o 70.72083 30.06075 99.16085       217.7156 -184.2640      309.0822 378.2770       306.7239 64.14825 30.44651 97.75735 37.74311 -33.60911      48.49260 
1 1 1 -36 7  10 o 73.03567 30.12436 137.4684       208.8606 289.5203       298.5202 -8.337024      292.3242 89.97934 36.42948 70.29776 32.05415 19.68158       48.52396 
1 1 1 -36 7  11 o 70.66092 29.41393 119.2467       201.6818 98.50850       283.2570 140.5702       287.2266 75.45660 33.16502 78.42898 33.94865 -2.972382      47.45977 
1 1 1 -36 7  12 o 73.68417 30.27261 148.4442       209.8361 384.2363       302.6453 -69.83922      291.1922 97.02608 37.48317 66.70184 30.97820 30.32424       48.62753 
1 1 1 -36 7  13 o 67.84717 29.23475 80.33579       211.0969 285.0484       299.8746 -120.7622      297.2154 88.56151 36.26517 64.77223 30.47357 23.78928       47.36878 
1 1 1 -36 7  14 o 56.07333 26.09602 -90.66923      208.3107 -345.6109      296.2434 158.6788       292.9754 56.25169 27.45272 79.02126 34.24566 -22.76957      43.89096 
1 1 1 -36 7  15 o 59.30999 26.90878 -21.29773      202.8083 150.5941       296.3652 -172.6884      278.1309 78.25069 34.17021 60.20847 28.66359 18.04222       44.60050 
1 1 1 -36 7  16 o 134.7178 26.04219 650.2398       198.3115 665.2811       276.1021 634.2111       285.0202 125.3769 35.78632 120.7519 36.86733 4.624992       51.37958 
1 1 1 -36 7  17 f 66.08697 28.22570 88.57805       193.5653 272.7146       265.6253 -119.9230      282.6530 85.31825 34.42775 62.49642 29.49926 22.82183       45.33736 
1 1 1 -36 7  18 f 179.2300 18.58760 1050.242       192.5486 895.0941       251.6274 1269.442       299.0922 155.0368 28.73182 185.5277 28.38964 -30.49095      40.39169 
1 1 1 -36 7  19 o 50.80059 23.83024 -100.9955      179.4461 -137.6516      228.9362 -42.59338      288.9719 55.46715 26.29036 65.98434 30.71774 -10.51719      40.43220 
1 1 1 -36 7  20 o 125.0111 25.17822 564.7321       178.2063 465.0279       226.4249 727.0198       288.8752 105.1299 32.99008 127.9231 36.63428 -22.79326      49.29925 
1 1 1 -36 7  21 o 57.52089 25.65139 15.37755       175.5636 -21.76630      228.6582 68.72155       274.0225 60.93815 27.99680 69.89917 31.53747 -8.961018      42.17147 
1 1 1 -36 7  22 o 53.81747 24.56618 -29.08594      172.3011 15.77182       225.4383 -92.09688      267.1880 62.66651 28.40729 61.00705 28.76104 1.659458       40.42488 
1 1 1 -36 7  23 o 72.36605 28.08744 182.4009       170.5317 227.4433       222.1670 117.8018       266.0613 78.30710 31.52553 71.81893 31.82839 6.488167       44.79850 
1 1 1 -36 7  24 o 61.40143 26.37727 76.81369       170.8568 112.7436       223.9834 26.81161       264.2297 68.39742 29.78932 65.89590 30.20829 2.501526       42.42575 
1 1 1 -36 8  1  o 68.82153 31.45152 -39.49907      283.4850 273.4450       362.1204 -534.8825      455.6070 92.47318 39.01254 67.69697 33.24702 24.77621       51.25761 
1 1 1 -36 8  2  o 92.28873 35.53841 306.1961       271.4262 203.8049       335.6843 499.5579       461.3017 86.84234 37.13239 107.8213 44.64902 -20.97900      58.07193 
1 1 1 -36 8  3  o 164.5940 35.46400 1043.613       332.2255 1043.613       332.2255 0.000000       0.000000 164.5940 35.46400 ?        ?        0.000000       35.46400 
1 1 1 -36 8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -36 8  5  o 167.4737 44.44827 1248.878       443.7675 0.000000       0.000000 1248.878       443.7675 ?        ?        167.4737 44.44827 0.000000       44.44827 
1 1 1 -36 8  6  o 99.86719 32.91012 380.3303       223.4504 89.04596       310.1977 694.5032       322.1546 77.79322 34.42701 128.2360 39.20386 -50.44282      52.17434 
1 1 1 -36 8  7  o 120.1950 31.20569 541.9271       221.8856 379.3631       313.3582 705.3976       314.2308 98.19044 38.08423 129.7696 38.51066 -31.57915      54.16161 
1 1 1 -36 8  8  o 49.93359 23.96995 -212.0187      203.3391 -257.9371      281.6553 -162.0335      293.8628 58.35169 28.06260 63.47121 29.99531 -5.119518      41.07588 
1 1 1 -36 8  9  o 95.84634 31.30920 347.3333       202.4245 492.5309       284.1128 197.6374       288.4802 108.7556 37.12418 82.74903 34.86042 26.00658       50.92596 
1 1 1 -36 8  10 o 80.13824 30.39678 217.3312       196.6178 330.2090       270.2626 90.41821       286.5726 92.78145 35.52999 75.25195 33.20572 17.52950       48.63126 
1 1 1 -36 8  11 o 74.74716 30.17965 163.1568       204.2490 -31.75017      282.1669 377.6939       296.0353 67.78934 31.12828 96.63158 37.13946 -28.84225      48.45935 
1 1 1 -36 8  12 o 83.95441 31.32873 253.9411       206.9999 181.5719       283.5277 336.5471       302.9173 80.50068 34.26431 92.77790 36.99480 -12.27722      50.42478 
1 1 1 -36 8  13 o 91.47344 32.04126 322.3914       212.1955 440.8265       298.0802 200.7078       302.1405 101.4644 37.64613 82.40524 35.23157 19.05919       51.56059 
1 1 1 -36 8  14 o 67.57746 28.93477 89.23463       204.3390 404.2780       285.8181 -240.1409      292.2472 97.83243 36.75018 59.21327 28.50462 38.61916       46.50902 
1 1 1 -36 8  15 o 58.78763 26.76249 -27.77441      202.7309 19.45747       285.5018 -75.81087      287.9232 69.72150 31.74750 65.22589 30.46327 4.495605       43.99903 
1 1 1 -36 8  16 o 95.62074 30.60482 357.5609       194.0271 298.9353       261.7912 429.0140       289.0159 87.71619 34.57779 99.16030 37.01540 -11.44411      50.65337 
1 1 1 -36 8  17 o 79.35476 30.22550 225.8293       194.9082 119.1282       262.8604 356.1398       290.4894 73.54611 32.14693 92.27101 36.40816 -18.72490      48.56933 
1 1 1 -36 8  18 o 93.19825 31.10334 346.0215       199.4233 620.8746       273.7855 35.38858       291.0609 119.3311 36.07220 70.23940 32.01107 49.09167       48.22771 
1 1 1 -36 8  19 f 103.9874 28.63173 416.9271       180.1306 491.8414       227.8223 291.9910       294.2101 108.6462 32.91867 86.06133 35.64947 22.58490       48.52343 
1 1 1 -36 8  20 o 101.6585 28.51808 401.0511       176.8910 307.7207       221.9218 563.6644       292.9316 87.00484 32.44396 109.4520 37.68545 -22.44721      49.72729 
1 1 1 -36 8  21 o 100.3682 28.92665 395.8315       179.5622 242.4674       231.6208 626.8392       284.2686 80.31299 32.23923 116.6038 37.01375 -36.29080      49.08549 
1 1 1 -36 8  22 o 99.97869 28.66830 392.4171       176.7953 461.2277       237.4707 306.8502       264.8104 102.7335 33.93007 85.93896 34.48066 16.79458       48.37526 
1 1 1 -36 8  23 o 182.1586 19.52266 1113.538       205.3143 1122.658       301.9155 1105.692       280.0342 166.7447 32.03722 169.3429 29.25389 -2.598190      43.38403 
1 1 1 -36 9  1  o 60.03053 28.49799 -193.9065      271.0600 -134.2688      333.6654 -309.6461      464.8272 69.07594 32.43224 73.91795 35.67469 -4.842010      48.21342 
1 1 1 -36 9  2  o 93.92386 35.20173 327.8995       261.9237 129.8135       321.2031 721.0295       452.5025 81.17239 35.50685 122.1006 46.15883 -40.92824      58.23550 
1 1 1 -36 9  3  o 169.3215 33.97693 1085.298       325.6589 1085.298       325.6589 0.000000       0.000000 169.3215 33.97693 ?        ?        0.000000       33.97693 
1 1 1 -36 9  4  o 209.8292 22.26720 1454.362       269.8417 952.5538       333.4129 2407.146       459.4208 154.2129 37.28023 257.7270 31.01764 -103.5141      48.49649 
1 1 1 -36 9  5  o 122.3612 34.03617 584.2672       253.1150 442.6714       311.6889 858.4776       433.7488 103.8182 38.50030 133.1043 45.85629 -29.28606      59.87548 
1 1 1 -36 9  6  f 126.1291 45.25555 771.7343       425.5168 0.000000       0.000000 771.7343       425.5168 ?        ?        126.1291 45.25555 0.000000       45.25555 
1 1 1 -36 9  7  o 74.84129 30.11957 159.8051       202.7152 220.4158       276.7227 89.60880       297.8017 84.11007 34.68163 76.42384 33.78074 7.686234       48.41440 
1 1 1 -36 9  8  o 43.90675 21.64527 -349.6839      199.2222 -217.5709      273.9906 -497.8831      290.1924 58.87276 28.14394 51.74809 25.62295 7.124668       38.06070 
1 1 1 -36 9  9  o 193.9082 19.53374 1220.095       219.1185 1431.354       306.5940 999.5296       313.2747 202.5235 26.44396 160.2621 34.36229 42.26132       43.35954 
1 1 1 -36 9  10 o 65.60670 28.36244 62.45595       199.9711 99.08385       270.0620 17.99737       297.5331 74.36653 32.54309 71.75036 32.56861 2.616173       46.04093 
1 1 1 -36 9  11 o 51.50539 24.24151 -126.8291      188.4120 -48.19792      246.9666 -236.3214      291.4290 63.24900 29.07226 59.69144 28.66505 3.557560       40.82745 
1 1 1 -36 9  12 o 81.77215 30.48195 237.4705       195.8585 275.1319       259.9067 187.9787       297.9449 86.81673 34.38103 81.45147 34.90852 5.365265       48.99653 
1 1 1 -36 9  13 o 79.81767 30.62177 221.2854       200.9989 -51.78625      274.4944 536.9742       295.1376 65.44353 30.28363 110.4705 37.83428 -45.02694      48.46165 
1 1 1 -36 9  14 o 52.53958 24.80974 -133.0962      200.3100 -157.0473      274.7646 -105.9269      292.6421 60.45352 28.69685 64.41428 30.28425 -3.960766      41.72104 
1 1 1 -36 9  15 o 67.70776 29.05091 92.04263       206.7757 78.24473       285.6819 107.2247       299.6692 72.90031 32.60102 75.49584 33.59987 -2.595528      46.81643 
1 1 1 -36 9  16 o 134.3514 26.90463 656.5004       204.5935 856.6552       271.1975 392.1174       311.6875 147.8993 32.18247 95.20346 37.66684 52.69580       49.54293 
1 1 1 -36 9  17 o 72.00972 29.56610 152.1121       199.9943 275.5126       261.3091 -22.38981      310.7393 85.17805 34.22548 69.07352 32.05267 16.10452       46.89091 
1 1 1 -36 9  18 o 113.4750 29.84899 502.0693       201.2725 345.9338       264.0451 718.6157       310.9587 90.84969 35.03410 124.7676 38.58475 -33.91787      52.11690 
1 1 1 -36 9  19 o 59.21597 26.49668 14.61500       189.0054 -33.55566      247.4858 82.02821       292.7733 62.39497 28.83139 72.21942 32.59017 -9.824451      43.51285 
1 1 1 -36 9  20 o 121.6525 25.96595 543.7568       179.6151 842.8902       228.9422 64.89406       289.6671 151.3311 26.77518 70.80108 32.13673 80.53004       41.82917 
1 1 1 -36 9  21 o 131.7367 23.44807 613.8182       174.5197 592.5446       228.8660 643.3739       269.7618 120.1905 31.93015 120.2706 35.67933 -0.8005524E-01 47.88057 
1 1 1 -36 9  22 o 76.78754 28.70197 219.1693       173.8880 289.9488       235.6310 134.5273       257.6744 84.36924 32.93951 72.52374 31.76101 11.84550       45.75777 
1 1 1 -36 9  23 o 78.82697 28.52811 239.3343       169.5245 303.2289       240.3358 176.0654       239.1562 84.91888 33.23389 74.05470 31.49306 10.86417       45.78542 
1 1 1 -36 10 1  o 63.36848 29.27142 -78.21468      254.7867 -225.3176      309.2957 232.3583       449.4124 62.85489 30.00775 92.38333 41.12949 -29.52845      50.91267 
1 1 1 -36 10 2  o 68.50223 30.75890 9.790594       257.1339 -73.15120      318.0693 166.2498       436.8532 69.97175 32.45536 88.71761 39.94243 -18.74586      51.46599 
1 1 1 -36 10 3  o 164.2504 29.30667 968.9094       271.9510 941.0021       338.4413 1019.764       456.8676 151.8508 38.07677 144.2047 47.03206 7.646088       60.51327 
1 1 1 -36 10 4  o 161.2166 27.52290 915.7786       250.8943 484.7660       308.8288 1752.462       430.2822 107.5222 38.55729 212.7560 35.75091 -105.2338      52.58129 
1 1 1 -36 10 5  o 103.6043 30.97035 404.9787       202.6480 648.3582       282.6286 147.4684       290.7176 126.3763 36.25023 79.67841 34.32009 46.69788       49.91941 
1 1 1 -36 10 6  o 83.79020 30.47341 247.6441       193.7486 217.3730       264.9010 282.4646       284.1102 83.26653 34.08951 89.25385 35.74774 -5.987312      49.39631 
1 1 1 -36 10 7  o 109.3014 30.51506 450.2321       203.0508 556.2737       282.9614 337.6594       291.5452 115.5128 36.95788 93.78146 36.63245 21.73135       52.03673 
1 1 1 -36 10 8  o 55.89071 25.93693 -89.81701      203.5190 -128.6244      275.5062 -43.20356      301.9462 62.63660 29.42829 69.21428 31.93383 -6.577679      43.42573 
1 1 1 -36 10 9  o 73.92624 29.99284 155.3470       202.8358 282.4509       273.3581 -0.3707202     302.5669 88.27504 35.16190 71.19930 32.52091 17.07574       47.89540 
1 1 1 -36 10 10 o 155.4574 23.84640 827.0764       210.4843 850.5350       291.6669 801.5821       304.0593 146.4945 34.51836 139.2240 36.71843 7.270447       50.39603 
1 1 1 -36 10 11 o 108.6990 29.13488 442.7223       189.4987 665.5212       249.9372 141.4799       290.6246 130.4634 32.72590 78.02728 33.95876 52.43613       47.16123 
1 1 1 -36 10 12 o 53.95208 24.92610 -71.33916      184.8732 -90.34883      235.8539 -41.04796      297.7240 59.44437 27.69936 68.11822 31.52753 -8.673851      41.96713 
1 1 1 -36 10 13 o 67.09015 28.21383 101.2264       188.4346 -17.56399      244.7914 273.9862       295.2071 64.16776 29.28720 86.71998 35.79580 -22.55222      46.25018 
1 1 1 -36 10 14 o 61.43531 27.38942 16.86108       200.0162 167.2392       263.3914 -187.9873      307.4153 77.38239 32.98399 62.40870 29.82801 14.97369       44.47081 
1 1 1 -36 10 15 o 65.54124 28.58856 65.23858       206.9562 -173.3827      276.2997 370.2273       312.3688 59.70829 28.46568 93.61729 37.48747 -33.90901      47.07022 
1 1 1 -36 10 16 f 129.5441 28.45180 627.1204       210.2352 625.2731       279.1444 629.5414       319.5752 119.7498 36.47031 115.8787 39.37630 3.871140       53.67100 
1 1 1 -36 10 17 o 110.6977 30.26444 480.9897       202.0751 410.9221       267.3672 574.3369       308.6027 97.19083 35.72603 110.6361 38.64839 -13.44530      52.63123 
1 1 1 -36 10 18 o 64.91572 28.06534 79.34891       195.8259 -181.3499      252.3702 473.8258       310.4412 56.17046 26.89484 100.4749 38.17529 -44.30447      46.69780 
1 1 1 -36 10 19 o 117.2729 27.91906 521.9689       189.2446 634.5259       242.6182 347.0859       302.4203 123.9211 32.85437 89.71909 36.54015 34.20206       49.13851 
1 1 1 -36 10 20 o 71.31675 29.95820 147.7986       212.0888 246.7330       239.5072 -211.6110      456.4991 80.87245 32.67083 70.79483 34.44481 10.07762       47.47449 
1 1 1 -36 10 21 o 44.43631 21.39294 -173.0624      164.6923 -217.3892      209.9207 -102.1014      265.6023 49.13775 23.77810 60.41596 28.54095 -11.27821      37.14813 
1 1 1 -36 10 22 o 53.91524 24.45369 -15.30326      167.3327 -282.3495      219.3292 356.6113       258.8360 47.76158 23.37589 89.90520 34.68233 -42.14362      41.82458 
1 1 1 -36 11 1  o 146.0056 30.57602 783.7180       253.4138 1160.633       314.3516 84.12022       428.2705 177.6427 31.31692 84.38131 38.59840 93.26139       49.70498 
1 1 1 -36 11 2  o 117.1947 34.80238 546.7680       256.5593 732.9241       320.5265 214.8317       428.0088 131.6784 38.84793 90.19874 40.14867 41.47962       55.86660 
1 1 1 -36 11 3  o 160.9350 28.01615 919.9675       254.8281 690.4376       317.6420 1334.468       426.8557 127.3139 38.92955 176.1040 41.93404 -48.79014      57.21864 
1 1 1 -36 11 4  o 129.9606 31.60397 637.5869       238.5255 593.5189       291.6118 726.6751       414.6237 119.1584 37.44553 122.5481 44.57742 -3.389709      58.21782 
1 1 1 -36 11 5  o 249.4861 22.12658 2062.958       320.3971 0.000000       0.000000 2062.958       320.3971 ?        ?        249.4861 22.12658 0.000000       22.12658 
1 1 1 -36 11 6  o 271.4929 14.89578 2291.032       236.2680 1988.172       332.6769 2599.254       335.6091 242.7272 23.67011 282.4045 20.40088 -39.67723      31.24852 
1 1 1 -36 11 7  o 75.12484 29.70345 172.2014       193.7111 50.14623       249.4087 357.7715       307.5300 69.59740 30.83146 95.15566 37.48720 -25.55826      48.53730 
1 1 1 -36 11 8  o 51.36599 24.19379 -130.4924      188.2913 -155.9666      238.1751 -88.03864      307.4712 56.93670 26.93616 67.44570 31.49356 -10.50900      41.44154 
1 1 1 -36 11 9  o 106.9473 31.06008 439.8161       206.2955 772.1623       276.9879 25.82038       309.1458 139.7141 34.10671 72.87260 33.12520 66.84155       47.54521 
1 1 1 -36 11 10 o 69.41064 28.93311 116.0963       195.5306 160.2823       262.8748 61.37405       292.5423 77.65051 33.01987 73.27720 32.86316 4.373306       46.58647 
1 1 1 -36 11 11 o 72.44158 29.79425 145.0409       203.5415 31.19860       283.7256 265.7539       292.1621 70.65182 31.96363 86.41750 35.63484 -15.76568      47.86977 
1 1 1 -36 11 12 o 54.46142 25.14668 -67.85230      187.7595 -5.652013      241.4196 -163.0675      298.6960 64.54146 29.31245 62.70776 29.81102 1.833694       41.80809 
1 1 1 -36 11 13 o 53.47421 24.81038 -79.03351      186.0766 71.55482       233.4812 -341.1915      308.0618 68.58842 30.12951 57.33927 27.98599 11.24915       41.12181 
1 1 1 -36 11 14 o 61.09904 26.90322 33.19244       187.1738 205.6217       238.2897 -244.5753      302.4411 79.07185 32.34740 59.77595 28.83121 19.29589       43.33120 
1 1 1 -36 11 15 o 173.0989 21.54633 1011.253       214.0132 1350.980       295.3088 635.4572       310.5899 193.9981 26.65973 117.5351 38.80309 76.46300       47.07888 
1 1 1 -36 11 16 o 55.14754 25.57502 -70.25849      197.3790 -195.9679      253.8249 122.0354       313.9301 56.02901 26.86566 76.40231 34.17042 -20.37329      43.46701 
1 1 1 -36 11 17 o 119.0486 30.14786 554.1298       210.6751 603.6266       276.5569 485.6909       325.1974 116.4156 36.44939 101.0643 38.90435 15.35132       53.31141 
1 1 1 -36 11 18 o 69.45191 29.24345 129.2727       202.8379 -149.5249      262.7266 540.6714       319.1471 58.46435 27.84038 105.4599 38.98580 -46.99554      47.90594 
1 1 1 -36 11 19 o 74.32914 29.10431 191.8203       184.3975 106.6502       230.6523 342.6688       306.9619 69.40147 30.22803 89.18127 36.62423 -19.77981      47.48756 
1 1 1 -36 11 20 o 72.47311 28.42894 178.7660       176.2074 74.36187       225.9141 340.9449       281.5669 66.61964 29.43585 88.94172 35.59938 -22.32207      46.19291 
1 1 1 -36 11 21 o 52.83102 24.50436 -61.90387      181.3009 -132.1525      245.9776 21.65237       268.2663 56.96984 27.07448 66.47782 30.46129 -9.507980      40.75436 
1 1 1 -36 11 22 o 97.59200 28.13485 375.2654       169.8430 394.5333       219.3091 346.3917       268.4668 95.47734 32.61609 88.33964 34.95575 7.137703       47.80914 
1 1 1 -36 12 1  o 56.44251 26.57105 -141.3685      226.5849 -171.5837      270.5279 -70.35465      414.7347 60.43198 28.62455 77.11082 36.18999 -16.67885      46.14196 
1 1 1 -36 12 2  o 114.7580 33.98549 521.0480       244.9263 483.0592       305.7562 589.0791       409.1680 106.8884 38.36077 112.0660 43.50409 -5.177605      58.00133 
1 1 1 -36 12 3  o 95.09505 33.54626 348.5313       232.8862 306.8127       285.1440 432.1131       403.6035 91.10101 36.03247 101.1901 41.82014 -10.08913      55.20201 
1 1 1 -36 12 4  o 170.7500 21.27752 963.8770       208.4645 594.0860       280.9182 1417.100       310.9980 119.7186 36.61061 200.8321 27.09481 -81.11343      45.54631 
1 1 1 -36 12 5  o 141.4833 25.59932 698.2586       204.5969 542.2575       279.2558 879.0307       300.6104 113.9299 36.74061 149.0811 34.98691 -35.15124      50.73417 
1 1 1 -36 12 6  o 65.19300 28.32111 54.84040       201.3668 -13.02529      274.7290 133.6283       296.0118 68.15285 31.07550 78.40613 34.19556 -10.25328      46.20631 
1 1 1 -36 12 7  o 78.42396 30.31817 203.6396       198.1036 266.1641       257.8916 113.6358       309.4158 86.38007 34.23495 77.82064 34.41402 8.559433       48.54232 
1 1 1 -36 12 8  o 72.14542 29.49858 142.5797       198.0384 83.56815       257.2789 228.3829       310.2325 72.06320 31.64274 84.85572 35.96881 -12.79252      47.90635 
1 1 1 -36 12 9  f 51.65129 24.10987 -99.15504      179.9390 -104.4138      224.2918 -89.65805      301.4141 57.43693 26.84571 66.38258 31.05743 -8.945652      41.05186 
1 1 1 -36 12 10 o 214.8540 16.62062 1466.241       207.8038 1546.838       273.8192 1356.777       319.1104 214.6546 22.06454 192.4162 29.19333 22.23834       36.59364 
1 1 1 -36 12 11 o 83.80840 35.96651 221.5507       317.0614 0.000000       0.000000 221.5507       317.0614 ?        ?        83.80840 35.96651 0.000000       35.96651 
1 1 1 -36 12 12 o 88.23660 31.82503 299.8410       210.7483 656.9766       295.6306 -69.19437      300.5155 122.4337 37.57904 66.72485 31.14982 55.70885       48.81081 
1 1 1 -36 12 13 o 61.08841 26.95254 30.35602       188.7468 290.8327       239.1459 -399.9427      307.3715 86.95157 33.39052 55.44469 27.24540 31.50688       43.09569 
1 1 1 -36 12 14 o 67.61089 28.45162 107.9114       191.8241 -83.42062      239.7622 448.1981       319.7492 59.74685 27.86947 99.62772 38.51716 -39.88086      47.54239 
1 1 1 -36 12 15 o 57.88722 26.15134 -10.41225      189.1217 -16.21783      238.1899 -0.5088719     311.0943 62.95230 28.79209 70.01923 32.34391 -7.066921      43.30258 
1 1 1 -36 12 16 o 158.3506 23.31915 871.9719       210.0852 1118.155       279.1071 550.1749       319.1046 173.3994 28.42999 107.2066 39.09041 66.19273       48.33554 
1 1 1 -36 12 17 o 174.8184 21.39246 1039.405       214.7654 1260.090       293.1146 783.6007       315.5759 184.2568 28.00502 130.1892 38.58239 54.06755       47.67475 
1 1 1 -36 12 18 o 64.07448 28.08309 64.47301       201.8097 -36.16890      271.1788 189.3972       302.1270 64.31064 29.87690 78.78053 34.44903 -14.46989      45.60005 
1 1 1 -36 12 19 o 111.4280 30.17734 494.6862       202.0319 441.9920       269.5034 562.2896       305.2579 98.70282 35.93401 107.8863 38.37317 -9.183495      52.57140 
1 1 1 -36 12 20 o 67.86379 27.86665 134.7707       177.6868 230.0769       228.8670 -9.843586      281.9215 78.94063 31.92020 66.09425 30.62169 12.84638       44.23332 
1 1 1 -36 12 21 o 74.39312 28.94998 199.6811       181.5354 534.0114       242.6904 -225.0063      273.5266 110.0162 34.09798 56.01019 27.11303 54.00603       43.56361 
1 1 1 -36 13 1  o 121.8112 32.77868 576.5923       239.2843 831.4434       298.8242 121.1469       399.4761 144.1585 35.56713 83.70757 37.89314 60.45092       51.97029 
1 1 1 -36 13 2  o 149.6272 28.25686 805.2848       238.8757 452.7816       289.7312 1553.517       422.1162 104.0434 37.34171 195.2460 38.23246 -91.20264      53.44272 
1 1 1 -36 13 3  o 87.53252 34.96247 272.8620       271.0082 272.8620       271.0082 0.000000       0.000000 87.53252 34.96247 ?        ?        0.000000       34.96247 
1 1 1 -36 13 4  o 148.0187 24.68275 756.6761       206.7285 407.3409       274.8979 1211.395       313.6331 99.73808 36.29470 181.1124 30.61739 -81.37428      47.48400 
1 1 1 -36 13 5  o 228.5695 16.69557 1653.452       222.2616 1337.229       300.8867 2033.234       329.7422 194.3962 27.12947 245.5556 23.17072 -51.15941      35.67759 
1 1 1 -36 13 6  o 111.4730 31.13921 478.3740       211.3769 164.1524       289.9408 834.8370       308.8152 79.62433 34.28528 141.9858 36.78998 -62.36151      50.28900 
1 1 1 -36 13 7  o 53.67553 24.92690 -86.63216      188.4960 -289.6198      236.9356 263.3480       311.1123 51.11219 24.85627 87.12850 36.42059 -36.01631      44.09414 
1 1 1 -36 13 8  o 51.58484 24.27683 -123.5991      188.8900 -132.6077      236.8857 -107.8704      313.0087 57.53835 27.11203 66.56995 31.30480 -9.031597      41.41320 
1 1 1 -36 13 9  o 55.31191 25.33359 -50.16097      185.2744 -56.05157      231.5403 -39.67553      308.9158 60.74537 28.00406 69.08972 32.02502 -8.344357      42.54209 
1 1 1 -36 13 10 o 95.14851 31.31483 353.4386       202.3360 418.4865       268.2253 267.5477       308.2173 99.67032 35.90940 86.67181 36.24172 12.99851       51.01909 
1 1 1 -36 13 11 o 50.28102 23.86158 -147.4464      189.7208 -122.5981      243.2833 -186.0096      303.0754 58.49461 27.53575 62.14720 29.67939 -3.652588      40.48560 
1 1 1 -36 13 12 o 73.17038 29.98493 156.9505       205.1979 595.1390       279.6989 -353.7841      301.9659 117.0327 36.65779 56.23214 27.50185 60.80056       45.82734 
1 1 1 -36 13 13 o 95.45301 40.75478 404.0907       403.3153 0.000000       0.000000 404.0907       403.3153 ?        ?        95.45301 40.75478 0.000000       40.75478 
1 1 1 -36 13 14 o 79.82005 30.54109 231.0779       199.5836 471.5818       254.0163 -156.9280      322.6412 104.6442 35.10642 64.42104 30.72579 40.22314       46.65335 
1 1 1 -36 13 15 o 157.1948 23.29526 858.7516       208.2713 941.0735       267.4775 731.9777       331.9284 156.8364 30.17501 123.4951 40.07512 33.34127       50.16519 
1 1 1 -36 13 16 o 82.80736 30.58875 263.6381       196.4078 218.6225       249.6792 336.7127       318.1151 79.32526 32.84838 89.34240 37.04450 -10.01714      49.51072 
1 1 1 -36 13 17 o 75.77345 30.21693 198.5177       202.1065 53.96170       258.9984 423.6029       323.1859 68.21267 30.72896 95.42709 38.15847 -27.21442      48.99325 
1 1 1 -36 13 18 o 54.79494 25.27821 -50.41228      189.1222 -305.1230      245.9265 318.2372       295.8615 50.63687 24.77671 87.34118 35.92158 -36.70431      43.63766 
1 1 1 -36 13 19 o 157.2593 26.26575 905.4033       233.7080 679.9905       286.7706 1351.198       403.2856 121.9706 36.92787 169.1825 41.06464 -47.21195      55.22655 
1 1 1 -36 13 20 o 49.75468 23.56823 -120.8355      183.4380 -202.4882      243.4031 -13.49005      279.0826 53.68811 25.88735 65.38934 30.35444 -11.70123      39.89420 
1 1 1 -36 14 1  o 90.85962 33.55914 314.8185       236.3928 188.4806       290.2306 563.8270       407.4586 81.55991 34.68935 108.9550 43.07954 -27.39504      55.31002 
1 1 1 -36 14 2  o 81.31002 32.46904 218.7153       233.6732 280.6505       279.2387 74.01231       426.8206 88.06255 35.38168 82.44125 38.01162 5.621307       51.93021 
1 1 1 -36 14 3  o 167.0811 26.03722 978.9408       246.8239 968.7611       298.5832 1000.909       438.6297 158.3187 33.21883 140.7918 46.09413 17.52690       56.81689 
1 1 1 -36 14 4  o 102.2532 31.28137 404.5932       205.0618 609.8134       270.4866 127.2278       314.4575 121.4473 35.64899 78.66987 34.74578 42.77738       49.78072 
1 1 1 -36 14 5  o 151.2850 23.29614 780.9500       200.0717 579.8855       261.8774 1062.843       310.0791 118.7105 35.13826 166.0023 33.01236 -47.29179      48.21320 
1 1 1 -36 14 6  o 79.52859 30.31134 218.0321       196.0971 49.29781       250.0743 487.4544       315.9980 69.04959 30.71462 105.0180 38.79826 -35.96840      49.48427 
1 1 1 -36 14 7  o 78.68643 30.86753 207.1600       207.7411 404.9180       274.1119 -59.70202      318.4229 98.53062 36.18134 69.07993 32.18776 29.45069       48.42665 
1 1 1 -36 14 8  o 58.22657 26.58031 -38.17293      201.7490 -226.2209      265.4560 218.9835       310.4251 56.82896 27.30792 83.58361 35.72273 -26.75465      44.96483 
1 1 1 -36 14 9  o 62.76022 27.35810 48.46504       189.2670 90.88788       235.2786 -29.33114      318.6117 70.25846 30.56640 70.17660 32.52705 0.8186340E-01  44.63534 
1 1 1 -36 14 10 o 95.75372 30.31306 354.8451       190.7737 484.1967       239.7944 131.8026       314.8813 108.4057 33.94028 77.99551 34.59248 30.41021       48.46217 
1 1 1 -36 14 11 o 95.94198 31.86938 366.0805       209.4174 217.7827       282.9307 545.7698       311.4395 81.81606 34.49851 109.1952 38.76780 -27.37917      51.89499 
1 1 1 -36 14 12 o 42.52320 21.06200 -363.2748      196.6576 -291.7133      255.3565 -467.5830      308.2951 52.83434 25.71879 53.56007 26.50035 -0.7257385     36.92864 
1 1 1 -36 14 13 o 180.2230 21.18818 1094.144       219.6783 993.0847       300.9857 1209.348       321.3580 157.1160 33.67656 175.7175 32.37600 -18.60147      46.71526 
1 1 1 -36 14 14 o 98.07354 33.36042 402.7445       229.3928 374.8906       335.7671 427.1248       314.1332 92.53906 38.18460 96.86256 37.96949 -4.323494      53.84929 
1 1 1 -36 14 15 o 62.61817 30.74972 -380.0001      389.4297 0.000000       0.000000 -380.0001      389.4297 ?        ?        62.61817 30.74972 0.000000       30.74972 
1 1 1 -36 14 16 o 108.8612 30.94446 477.0182       206.8651 106.8206       269.0813 1012.010       323.4746 72.16638 31.99407 153.1985 36.52063 -81.03207      48.55283 
1 1 1 -36 14 17 o 102.1082 31.46255 427.5984       206.9797 165.3469       274.4772 773.3210       315.1456 76.03164 33.04701 128.5850 38.66415 -52.55338      50.86277 
1 1 1 -36 14 18 o 115.8685 29.03543 522.4250       196.8892 258.8363       244.6198 1007.306       331.7765 81.96554 33.05136 150.0108 37.74754 -68.04530      50.17239 
1 1 1 -36 14 19 o 60.01289 26.93970 20.81542       197.0958 -54.60617      258.9832 124.6180       303.8281 61.77807 28.86572 74.21098 33.36942 -12.43291      44.12196 
1 1 1 -36 15 1  o 62.56887 28.54062 -30.89197      232.0296 16.95640       279.2087 -137.6944      417.1440 69.92142 31.66327 73.92634 35.16852 -4.004921      47.32216 
1 1 1 -36 15 2  o 115.1454 33.95446 534.0580       244.9098 750.1021       297.6283 80.99198       431.0065 134.0998 36.75639 82.65971 38.14285 51.44012       52.97083 
1 1 1 -36 15 3  o 107.2493 30.09984 437.5184       197.0116 269.0630       258.4688 671.0929       304.3536 86.29005 34.24951 124.4252 38.11805 -38.13517      51.24465 
1 1 1 -36 15 4  o 103.2052 31.41473 414.6297       207.1546 51.40215       266.3863 970.3494       329.4962 70.60082 31.53317 152.9247 37.11803 -82.32388      48.70410 
1 1 1 -36 15 5  o 100.7077 31.85470 398.2116       210.7109 296.6534       277.1686 537.2809       324.3412 88.73386 35.38581 109.0011 39.45845 -20.26723      53.00118 
1 1 1 -36 15 6  o 172.6351 35.55011 1198.695       347.9387 0.000000       0.000000 1198.695       347.9387 ?        ?        172.6351 35.55011 0.000000       35.55011 
1 1 1 -36 15 7  f 150.7611 23.42177 780.4473       200.3714 818.2899       255.5799 720.0903       322.7754 147.1431 30.61468 126.5084 39.34214 20.63467       49.85041 
1 1 1 -36 15 8  o 119.5592 28.07669 528.7518       193.4900 719.1004       251.0272 250.1209       303.7111 135.8641 32.02995 85.19308 35.82236 50.67104       48.05371 
1 1 1 -36 15 9  o 63.39750 27.90795 41.94972       201.2923 0.4591923      268.3580 95.32350       304.3715 67.25217 30.68334 75.22785 33.64560 -7.975677      45.53563 
1 1 1 -36 15 10 o 88.01118 30.10345 296.7632       186.8331 300.4778       234.4926 290.3058       309.1712 87.75444 33.21622 87.56781 36.43227 0.1866302      49.30140 
1 1 1 -36 15 11 o 55.43257 25.39804 -43.97276      186.4440 -5.197372      233.2392 -112.6054      310.3049 63.23349 28.75492 65.22662 30.82433 -1.993122      42.15430 
1 1 1 -36 15 12 o 109.9721 31.15979 481.6927       210.0940 710.8215       281.4635 193.4091       315.7127 128.6293 35.93307 80.62236 35.23560 48.00699       50.32626 
1 1 1 -36 15 13 o 69.65836 28.87271 135.0959       193.1524 138.1793       247.7368 130.3157       308.4549 73.37112 31.64311 76.24754 34.00178 -2.876419      46.44790 
1 1 1 -36 15 14 o 77.68006 30.71120 213.4266       207.0624 630.6908       289.8719 -221.3187      295.8815 117.6555 37.38023 59.23431 28.55669 58.42122       47.04005 
1 1 1 -36 15 15 o 80.49146 32.97655 234.7142       248.1050 689.3395       411.4270 -25.08863      311.0197 111.2230 43.49618 68.18792 31.78523 43.03513       53.87225 
1 1 1 -36 15 16 o 72.75802 31.05509 147.2706       234.0498 139.3261       382.1685 152.0386       296.0677 79.34177 36.35638 76.28265 33.70193 3.059113       49.57425 
1 1 1 -36 15 17 o 87.57497 39.59227 303.1017       434.4226 0.000000       0.000000 303.1017       434.4226 ?        ?        87.57497 39.59227 0.000000       39.59227 
1 1 1 -36 15 18 o 67.78728 28.55267 124.2061       193.4776 108.1812       240.4517 153.6353       325.8514 69.67822 30.59313 76.83199 34.55201 -7.153778      46.14955 
1 1 1 -36 16 1  o 108.2661 34.12728 476.5923       242.0407 379.6930       293.9874 680.4619       426.4269 96.11292 36.99247 115.4943 44.52612 -19.38142      57.88798 
1 1 1 -36 16 2  o 54.80633 26.09085 -175.3639      230.4015 -314.2425      265.9895 241.9655       461.0907 53.86129 26.22545 90.15126 40.77008 -36.28997      48.47653 
1 1 1 -36 16 3  o 161.1469 23.67341 890.5523       217.0699 934.3906       286.4753 831.4478       332.6372 155.7482 32.41853 137.4371 39.29615 18.31102       50.94260 
1 1 1 -36 16 4  o 120.8698 31.10090 563.4054       221.7360 300.8212       285.9668 959.3078       351.1361 89.03577 35.79404 147.7107 39.68970 -58.67490      53.44610 
1 1 1 -36 16 5  o 72.05997 30.03665 136.4903       210.7222 -84.93675      275.2367 450.1032       327.5578 63.84477 29.80714 100.8093 38.98176 -36.96449      49.07182 
1 1 1 -36 16 6  o 146.7245 38.66263 935.7543       337.3012 0.000000       0.000000 935.7543       337.3012 ?        ?        146.7245 38.66263 0.000000       38.66263 
1 1 1 -36 16 7  o 56.92400 26.26244 -61.27678      204.1935 89.94469       266.8582 -274.8790      317.1587 72.37368 31.98464 60.31830 29.19777 12.05538       43.30735 
1 1 1 -36 16 8  o 43.72377 21.59159 -348.6666      201.1484 -538.0845      271.5319 -118.3023      299.4457 47.76623 23.83707 64.27020 30.34451 -16.50397      38.58751 
1 1 1 -36 16 9  o 132.7182 26.02082 633.6403       195.2936 766.8190       257.7112 454.0012       299.3066 139.5665 32.14772 100.7438 37.65615 38.82270       49.51223 
1 1 1 -36 16 10 o 51.44201 24.12509 -103.6301      183.7178 -89.80160      236.9518 -124.4725      290.9016 58.94053 27.56299 62.89067 29.75763 -3.950146      40.56150 
1 1 1 -36 16 11 o 89.32871 30.15999 311.8127       187.4663 312.4008       237.7774 310.8467       304.7495 88.19228 33.43294 88.10458 36.36877 0.8770752E-01  49.40090 
1 1 1 -36 16 12 o 149.0031 23.58973 775.6298       199.2863 923.4630       261.6497 571.3825       307.5477 155.8710 29.70647 110.1377 38.57461 45.73331       48.68753 
1 1 1 -36 16 13 o 82.68849 35.29115 241.7570       302.2168 0.000000       0.000000 241.7570       302.2168 ?        ?        82.68849 35.29115 0.000000       35.29115 
1 1 1 -36 16 14 o 69.98476 28.28173 149.9306       179.5436 174.0957       230.5346 112.6770       286.2371 74.88524 31.33052 73.63556 32.80095 1.249680       45.35972 
1 1 1 -36 16 15 o 124.6414 28.23660 589.5489       201.6072 880.2568       276.1079 257.5474       295.0668 147.4896 32.77127 83.14627 35.15372 64.34337       48.05976 
1 1 1 -36 16 16 o 116.6219 32.93306 570.2819       235.0894 924.6610       382.6921 355.4964       297.9325 132.6366 43.02975 90.00912 36.41092 42.62743       56.36767 
1 1 1 -36 16 17 o 45.70395 22.63934 -381.5256      227.3927 -268.6086      323.4663 -491.8491      319.7300 59.49412 28.95739 53.12112 26.40433 6.372993       39.18825 
1 1 1 -36 17 1  o 55.90842 26.74317 -197.1213      248.2083 -140.4667      304.6998 -308.8671      427.9278 64.25124 30.41736 68.82053 33.45350 -4.569290      45.21452 
1 1 1 -36 17 2  o 100.9934 33.18660 412.5613       227.2813 340.9754       263.3034 621.8143       450.1722 92.16193 35.12420 109.1620 44.53526 -17.00008      56.71947 
1 1 1 -36 17 3  o 59.12885 27.10718 -43.29995      212.7919 -238.9727      278.2482 232.3592       330.2581 57.64141 27.76455 84.80129 36.55361 -27.15989      45.90247 
1 1 1 -36 17 4  f 74.15932 30.67264 158.5093       217.3436 130.7839       279.8260 200.6700       345.0671 75.88478 33.16867 83.29169 36.60705 -7.406906      49.39875 
1 1 1 -36 17 5  o 68.86383 28.90605 115.1069       197.2225 165.6469       245.8844 23.93698       330.2469 76.25439 32.15744 73.16087 33.62468 3.093513       46.52655 
1 1 1 -36 17 6  o 122.0703 30.84117 578.9672       220.8404 467.4201       290.9604 730.5577       339.1883 102.6665 37.34303 124.3481 40.52254 -21.68159      55.10516 
1 1 1 -36 17 7  o 71.52588 29.83759 139.1042       208.1791 144.3974       272.7747 131.7202       322.1723 75.90305 32.96816 77.81455 34.72184 -1.911499      47.88012 
1 1 1 -36 17 8  o 103.9871 30.26491 423.8474       195.6801 659.8437       257.5946 101.8554       300.8893 126.4696 33.99985 74.74172 33.43861 51.72786       47.68784 
1 1 1 -36 17 9  o 50.56736 24.03261 -147.2261      193.8450 -166.6306      265.2782 -124.9939      283.9499 58.50069 27.89058 62.12656 29.39722 -3.625866      40.52260 
1 1 1 -36 17 10 o 62.03592 26.95981 56.48887       182.6173 79.44333       237.5808 23.34354       285.4887 68.71789 30.28201 69.11750 31.57754 -0.3996124     43.75090 
1 1 1 -36 17 11 o 57.88031 25.94166 4.468320       181.9777 -3.545013      237.2066 15.93078       283.6999 63.34538 28.88038 68.44115 31.34758 -5.095772      42.62332 
1 1 1 -36 17 12 o 66.09202 28.25560 94.74571       194.3190 -85.70451      269.1839 291.1075       280.8011 62.09370 29.14649 85.90237 35.12488 -23.80867      45.64291 
1 1 1 -36 17 13 o 117.6937 28.05132 524.6254       190.8694 811.7037       255.2297 160.3546       287.5034 143.7193 31.17905 76.66635 33.56281 67.05298       45.81042 
1 1 1 -36 17 14 o 47.88876 23.05427 -189.7030      191.2271 -303.7854      256.3242 -46.51329      287.1683 51.98764 25.40722 65.21945 30.44809 -13.23181      39.65619 
1 1 1 -36 17 15 o 55.18261 25.09869 -20.31354      177.8038 19.75640       221.3443 -93.20444      298.5352 62.60742 28.28693 63.83266 30.18610 -1.225239      41.36848 
1 1 1 -36 18 1  o 68.38541 30.60449 44.71332       252.2594 238.9321       308.5480 -346.8047      438.0796 84.28253 35.80430 68.19830 33.30497 16.08423       48.89959 
1 1 1 -36 18 2  o 82.45831 31.12385 249.6200       205.5460 357.1062       266.3024 91.21226       323.2861 93.16319 35.36668 76.03773 34.28587 17.12547       49.25772 
1 1 1 -36 18 3  o 85.77313 32.03973 280.6196       216.6112 343.1063       291.8385 203.9670       323.2301 91.58306 36.37944 82.31174 35.81837 9.271317       51.05311 
1 1 1 -36 18 4  o 116.3733 31.76095 537.6257       222.7776 440.9377       249.8855 912.1399       491.8007 102.1126 34.81713 123.9857 47.81284 -21.87315      59.14643 
1 1 1 -36 18 5  o 78.39797 31.08494 211.1818       212.7039 3.887626       281.6051 486.5491       324.5661 68.22034 31.24090 102.5773 39.01995 -34.35692      49.98550 
1 1 1 -36 18 6  o 101.0156 32.26693 414.0504       215.7564 548.6045       289.9459 247.1003       322.9698 110.3202 37.50625 84.56304 36.29539 25.75713       52.19267 
1 1 1 -36 18 7  o 108.7127 39.11221 556.5707       318.0749 0.000000       0.000000 556.5707       318.0749 ?        ?        108.7127 39.11221 0.000000       39.11221 
1 1 1 -36 18 8  o 105.6898 31.28230 447.2544       207.5608 767.8315       287.5440 98.49390       299.9174 134.1943 35.85371 74.27797 33.29628 59.91635       48.92986 
1 1 1 -36 18 9  o 85.42698 29.93481 281.0621       185.2238 340.3465       242.8983 198.6896       286.3161 90.84425 33.92935 79.60996 34.17172 11.23429       48.15503 
1 1 1 -36 18 10 o 57.76504 26.01236 -3.009169      185.3880 -97.01833      244.8960 123.1744       283.7252 59.20478 27.79363 74.48341 32.94553 -15.27863      43.10329 
1 1 1 -36 18 11 o 49.51165 23.79977 -190.9398      202.0234 236.8225       290.9800 -589.0269      280.7055 82.07483 34.81434 47.28042 23.68976 34.79441       42.10989 
1 1 1 -36 18 12 o 93.64415 30.35478 350.2143       190.4662 246.7980       252.0933 487.7710       290.7418 81.63557 33.31871 102.6058 37.32780 -20.97019      50.03500 
1 1 1 -36 18 13 o 112.0889 29.79254 495.7661       199.1863 813.4477       271.1936 123.6441       293.5122 140.3996 33.41967 74.32260 33.15405 66.07700       47.07510 
1 1 1 -36 18 14 o 75.90537 29.37335 208.4920       186.0840 179.2697       237.5766 254.8763       299.3171 74.96892 31.61212 82.37592 35.13852 -7.407005      47.26564 
1 1 1 -36 19 1  o 74.11532 31.33937 148.1499       234.5563 77.34847       277.9830 323.1560       437.0424 72.20191 32.23272 91.66946 40.70023 -19.46754      51.91779 
1 1 1 -36 19 2  o 64.03226 28.73842 20.12177       224.1738 -355.9035      298.3090 507.9761       339.7840 55.67043 27.24986 103.9396 39.82961 -48.26921      48.25922 
1 1 1 -36 19 3  o 81.95559 32.01734 244.7441       222.7367 318.6613       300.4638 154.5687       331.8667 89.36722 36.41242 79.56136 35.38710 9.805855       50.77510 
1 1 1 -36 19 4  o 130.3567 30.96892 660.7701       233.2357 772.0121       263.3777 256.5023       502.0873 139.1228 32.81528 89.46431 41.24165 49.65849       52.70404 
1 1 1 -36 19 5  o 91.83562 32.00035 337.3638       211.4915 247.9761       279.8987 456.3057       322.8714 83.36369 34.67240 99.76203 38.66784 -16.39835      51.93628 
1 1 1 -36 19 6  o 72.01443 29.33449 156.0556       194.9465 139.0678       249.0989 182.9042       313.1588 73.86377 31.79160 79.99025 35.02286 -6.126480      47.30017 
1 1 1 -36 19 7  o 51.81861 24.76289 -172.4945      211.7094 -115.0429      290.1744 -237.8832      309.5705 63.09398 29.81386 60.27652 29.09655 2.817455       41.65904 
1 1 1 -36 19 8  o 146.8993 24.75324 764.9751       205.6835 983.8650       265.9232 439.0168       324.5072 161.8853 29.07770 97.66676 38.49833 64.21854       48.24556 
1 1 1 -36 19 9  o 99.16293 30.16644 389.4245       191.0567 620.2369       246.8277 44.42638       301.7676 122.3402 33.44853 71.16447 32.49467 51.17577       46.63376 
1 1 1 -36 19 10 o 81.00800 30.77391 247.4828       201.7147 457.0493       274.1474 0.9340937E-01  297.8611 100.7150 36.30134 68.46352 31.63352 32.25149       48.15046 
1 1 1 -36 19 11 o 101.7970 31.68338 426.5475       209.2904 735.6476       292.5089 102.3217       299.5804 128.0617 36.92350 73.56719 33.10294 54.49451       49.58981 
1 1 1 -36 19 12 o 59.57637 27.68154 -53.60711      232.9217 -742.2851      360.2039 441.2979       305.3523 51.94463 26.13660 96.78024 37.57870 -44.83561      45.77424 
1 1 1 -36 20 1  o 73.33055 30.78964 148.8281       223.8605 82.43299       257.8114 352.2925       451.3133 70.85354 31.36930 92.82606 41.27812 -21.97252      51.84512 
1 1 1 -36 20 2  o 69.84988 30.70956 85.12939       243.0264 477.4101       319.3137 -454.9437      374.6669 101.8445 38.71196 60.15106 29.65918 41.69346       48.76765 
1 1 1 -36 20 3  o 201.3258 20.94096 1357.975       243.6470 1112.745       330.4653 1650.047       360.6476 164.5594 35.29968 208.9495 30.31417 -44.39005      46.52974 
1 1 1 -36 20 4  o 101.8591 30.95308 412.9536       201.2246 269.4672       261.6038 620.8589       314.8991 84.54591 34.14830 115.0166 39.08710 -30.47066      51.90287 
1 1 1 -36 20 5  o 106.6320 31.53212 457.7020       210.9684 286.3368       282.3856 674.1711       317.3798 86.03972 35.20744 119.8063 39.20818 -33.76659      52.69577 
1 1 1 -36 20 6  o 84.87950 30.37726 278.1679       191.5894 344.4524       243.3245 170.0329       310.7870 91.15826 33.97644 78.71974 34.66420 12.43852       48.53870 
1 1 1 -36 20 7  f 168.7852 23.13718 988.6260       223.0100 1113.884       294.9956 821.5660       340.6824 169.9442 30.72853 130.8906 40.37096 39.05363       50.73516 
1 1 1 -36 20 8  o 57.90646 26.27860 -12.69189      193.5687 162.6026       239.1285 -345.8666      329.6729 74.38968 31.55767 58.39058 28.59500 15.99910       42.58592 
1 1 1 -36 20 9  o 124.5661 29.00291 597.0065       207.9080 808.9691       272.9589 304.1039       320.8701 139.7633 33.69656 86.65234 36.64841 53.11096       49.78517 
1 1 1 -35 0  1  o 88.80630 51.85212 431.8910       448.9386 431.8910       448.9386 431.8910       448.9386 88.80630 51.85212 88.80630 51.85212 0.000000       0.000000 
1 1 1 -35 0  2  o 125.5674 56.92086 833.0804       452.1569 833.0804       452.1569 833.0804       452.1569 125.5674 56.92086 125.5674 56.92086 -0.000000      0.000000 
1 1 1 -35 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  4  o 482.2632 24.54748 7258.047       690.1644 7258.047       690.1644 7258.047       690.1644 482.2632 24.54748 482.2632 24.54748 -0.000000      0.000000 
1 1 1 -35 0  5  o 155.8020 54.57912 1099.424       451.5939 1099.424       451.5939 1099.424       451.5939 155.8020 54.57912 155.8020 54.57912 -0.000000      0.000000 
1 1 1 -35 0  6  o 113.0824 55.80104 715.1530       443.1112 715.1530       443.1112 715.1530       443.1112 113.0824 55.80104 113.0824 55.80104 -0.000000      0.000000 
1 1 1 -35 0  7  o 49.25707 34.87182 -387.2693      415.7193 -387.2693      415.7193 -387.2693      415.7193 49.25707 34.87182 49.25707 34.87182 0.000000       0.000000 
1 1 1 -35 0  8  o 49.05070 34.51321 -312.8724      387.4597 -312.8724      387.4597 -312.8724      387.4597 49.05070 34.51321 49.05070 34.51321 0.000000       0.000000 
1 1 1 -35 0  9  o 67.96508 43.25257 161.4556       378.4502 161.4556       378.4502 161.4556       378.4502 67.96508 43.25257 67.96508 43.25257 -0.000000      0.000000 
1 1 1 -35 0  10 o 68.71418 43.49796 179.1801       376.8990 179.1801       376.8990 179.1801       376.8990 68.71418 43.49796 68.71418 43.49796 -0.000000      0.000000 
1 1 1 -35 0  11 o 197.6789 28.44930 1305.940       310.0072 1305.940       310.0072 1305.940       310.0072 197.6789 28.44930 197.6789 28.44930 0.000000       0.000000 
1 1 1 -35 0  12 o 63.74685 39.10414 171.6638       281.0721 171.6638       281.0721 171.6638       281.0721 63.74685 39.10414 63.74685 39.10414 0.000000       0.000000 
1 1 1 -35 0  13 o 71.71558 41.60854 263.8228       286.1479 263.8228       286.1479 263.8228       286.1479 71.71558 41.60854 71.71558 41.60854 -0.000000      0.000000 
1 1 1 -35 0  14 o 40.36905 28.66002 -305.7843      287.7299 -305.7843      287.7299 -305.7843      287.7299 40.36905 28.66002 40.36905 28.66002 0.000000       0.000000 
1 1 1 -35 0  15 o 38.95201 27.67933 -296.1389      270.5762 -296.1389      270.5762 -296.1389      270.5762 38.95201 27.67933 38.95201 27.67933 0.000000       0.000000 
1 1 1 -35 0  16 o 116.2091 42.45498 604.9622       266.6464 604.9622       266.6464 604.9622       266.6464 116.2091 42.45498 116.2091 42.45498 0.000000       0.000000 
1 1 1 -35 0  17 o 79.13054 40.93135 334.7394       244.5961 334.7394       244.5961 334.7394       244.5961 79.13054 40.93135 79.13054 40.93135 -0.000000      0.000000 
1 1 1 -35 0  18 o 125.7372 39.19010 655.6831       253.3147 655.6831       253.3147 655.6831       253.3147 125.7372 39.19010 125.7372 39.19010 -0.000000      0.000000 
1 1 1 -35 0  19 o 60.24786 36.65932 165.2953       242.6085 165.2953       242.6085 165.2953       242.6085 60.24786 36.65932 60.24786 36.65932 0.000000       0.000000 
1 1 1 -35 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  21 o 63.37631 36.97506 207.4134       227.9888 207.4134       227.9888 207.4134       227.9888 63.37631 36.97506 63.37631 36.97506 0.000000       0.000000 
1 1 1 -35 0  22 o 43.82539 29.67858 -47.71669      226.1671 -47.71669      226.1671 -47.71669      226.1671 43.82539 29.67858 43.82539 29.67858 0.000000       0.000000 
1 1 1 -35 0  23 o 45.81511 30.77107 -21.40794      233.7128 -21.40794      233.7128 -21.40794      233.7128 45.81511 30.77107 45.81511 30.77107 0.000000       0.000000 
1 1 1 -35 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 0  25 o 245.8088 19.90771 1925.722       282.5226 1925.722       282.5226 1925.722       282.5226 245.8088 19.90771 245.8088 19.90771 -0.000000      0.000000 
1 1 1 -35 0  26 o 51.88537 33.49262 80.13414       237.2498 80.13414       237.2498 80.13414       237.2498 51.88537 33.49262 51.88537 33.49262 -0.000000      0.000000 
1 1 1 -35 0  27 o 97.16879 41.61329 485.8033       242.2370 485.8033       242.2370 485.8033       242.2370 97.16879 41.61329 97.16879 41.61329 0.000000       0.000000 
1 1 1 -35 1  1  o 83.01228 35.26176 141.1334       299.2255 12.34568       403.4186 298.6395       446.1361 83.62802 37.94564 100.4933 42.88402 -16.86527      57.26178 
1 1 1 -35 1  2  o 196.1930 29.00622 1319.846       323.7057 1647.266       452.2314 975.8220       463.5565 209.0468 38.29732 148.6377 47.27600 60.40909       60.84164 
1 1 1 -35 1  3  o 180.5045 44.51510 1344.973       468.2456 0.000000       0.000000 1344.973       468.2456 ?        ?        180.5045 44.51510 0.000000       44.51510 
1 1 1 -35 1  4  o 110.1928 39.00848 467.8748       315.1211 339.6930       436.9838 606.7522       454.8499 102.1238 42.95695 119.5380 46.01200 -17.41412      62.94762 
1 1 1 -35 1  5  o 234.0068 24.21915 1799.094       327.5835 2078.305       449.5566 1483.003       478.3268 241.8831 32.51307 190.5366 43.73260 51.34654       54.49440 
1 1 1 -35 1  6  o 165.5078 32.94342 990.6573       308.5222 1084.051       427.8084 889.4469       445.3530 160.4970 44.09805 141.3187 46.45597 19.17834       64.05306 
1 1 1 -35 1  7  o 98.41963 37.34955 348.2792       296.9398 513.7514       422.0572 186.0918       417.8472 112.1559 43.99726 92.01404 40.36670 20.14182       59.70955 
1 1 1 -35 1  8  f 69.35687 31.68963 -54.37671      287.6000 -63.46613      405.6620 -45.19113      407.8021 79.40520 36.76900 80.31406 37.07524 -0.9088593     52.21621 
1 1 1 -35 1  9  o 71.32977 32.08896 -2.520792      281.3302 -111.8755      392.3727 113.1737       403.5861 76.12486 35.55637 86.80656 38.78936 -10.68171      52.62005 
1 1 1 -35 1  10 o 66.30340 29.69513 -6.193429      237.9749 -209.3169      369.5897 137.6618       311.0302 70.19175 33.30873 81.97432 35.40504 -11.78257      48.61058 
1 1 1 -35 1  11 f 86.00487 32.52425 249.4540       224.7043 140.5993       336.9742 336.6143       301.5314 83.50775 36.45156 95.96854 37.32067 -12.46078      52.16846 
1 1 1 -35 1  12 o 52.06157 24.63300 -161.4189      199.3092 160.0789       274.2046 -521.5366      290.2071 80.52087 33.95790 51.63737 25.57798 28.88351       42.51320 
1 1 1 -35 1  13 o 56.18863 25.79840 -70.87485      193.7369 -197.7250      270.4862 62.75833       277.6239 59.83104 28.42189 73.96353 32.65818 -14.13249      43.29389 
1 1 1 -35 1  14 o 40.50401 20.19548 -433.0854      193.1051 -568.5778      267.2416 -285.0434      279.3440 47.41521 23.65973 57.35588 27.67502 -9.940662      36.41002 
1 1 1 -35 1  15 o 74.65845 29.67384 162.2985       194.2770 -14.79304      268.4560 357.0271       281.5069 68.04062 30.90503 96.05379 36.38573 -28.01318      47.73932 
1 1 1 -35 1  16 o 117.0253 28.36585 498.4573       192.6308 525.5141       271.2450 470.9260       273.6125 113.0869 36.18495 107.0015 36.43361 6.085312       51.34938 
1 1 1 -35 1  17 o 147.5747 22.22453 730.9621       186.3882 713.6030       263.3027 748.3979       263.8837 135.2658 33.39415 139.2984 32.84015 -4.032608      46.83636 
1 1 1 -35 1  18 o 222.4061 15.30419 1549.603       198.4046 1419.877       279.6907 1681.004       281.4911 203.9641 23.83013 224.7796 21.61923 -20.81546      32.17556 
1 1 1 -35 1  19 o 157.8530 20.09589 822.9384       181.8298 847.4551       255.3268 797.7102       259.0051 150.6161 29.95977 144.3008 31.49145 6.315247       43.46607 
1 1 1 -35 1  20 o 139.0157 22.16821 657.5309       174.6703 451.3759       241.7576 882.6710       252.6443 104.2672 34.22530 154.4270 28.95919 -50.15981      44.83310 
1 1 1 -35 1  21 o 65.62137 27.06834 108.7411       168.6508 270.8947       230.9864 -76.39938      246.8163 84.50203 32.71890 60.75781 28.31953 23.74422       43.27265 
1 1 1 -35 1  22 o 95.34940 28.20891 346.7859       168.8110 341.6593       232.0811 352.5457       245.9958 91.36893 33.33352 92.13704 34.19672 -0.7681122     47.75499 
1 1 1 -35 1  23 f 181.6298 17.40452 1068.943       183.1301 817.3102       258.3381 1323.111       259.6368 144.1141 31.45102 195.5368 23.08511 -51.42270      39.01395 
1 1 1 -35 1  24 o 69.12316 28.02210 145.4269       176.8954 109.5889       257.3301 177.5353       243.5723 71.35212 31.47621 75.41440 31.91459 -4.062279      44.82513 
1 1 1 -35 1  25 o 87.04503 29.37402 300.7286       177.8228 342.0045       259.8961 264.3978       243.8307 88.95807 34.63316 82.08536 33.03376 6.872711       47.86110 
1 1 1 -35 1  26 o 109.4666 27.30959 458.5447       174.7411 297.9311       251.1648 609.2161       243.2669 84.71573 33.71741 119.2588 33.43893 -34.54310      47.48711 
1 1 1 -35 1  27 o 47.86139 22.51791 -96.22606      162.2996 -159.0005      228.0487 -31.79797      231.0329 53.48920 25.59894 59.94135 27.75342 -6.452148      37.75656 
1 1 1 -35 2  1  o 84.22980 35.33142 164.1138       294.3299 122.5060       394.2416 216.5074       442.3990 88.32474 38.96186 95.84707 41.80324 -7.522331      57.14489 
1 1 1 -35 2  2  o 131.0155 37.67819 662.8987       304.9576 746.5175       406.9601 555.8106       460.5438 132.5490 44.43528 116.2887 45.85571 16.26029       63.85327 
1 1 1 -35 2  3  o 184.8134 42.04404 1361.427       445.4023 1361.427       445.4023 0.000000       0.000000 184.8134 42.04404 ?        ?        0.000000       42.04404 
1 1 1 -35 2  4  o 366.6114 17.80510 4187.734       381.6807 3871.397       515.8848 4570.312       567.3317 341.4247 25.95820 370.5323 26.27770 -29.10754      36.93705 
1 1 1 -35 2  5  o 200.0871 26.98737 1352.414       308.6198 1273.608       423.1718 1441.955       451.0717 179.0671 41.15823 190.5392 41.53994 -11.47206      58.47706 
1 1 1 -35 2  6  o 178.5131 29.88165 1112.748       301.7947 1196.634       416.3403 1019.866       438.0944 172.3076 41.66223 153.3049 45.46574 19.00269       61.66746 
1 1 1 -35 2  7  o 123.7881 37.32027 599.5102       293.3366 774.4553       408.0424 412.4005       421.9904 133.2867 44.49114 105.2030 43.04300 28.08367       61.90445 
1 1 1 -35 2  8  o 96.16019 36.63839 329.3662       286.4471 100.0953       395.1543 583.2586       415.8310 85.95567 38.39746 116.6747 44.21682 -30.71906      58.56187 
1 1 1 -35 2  9  o 139.7867 30.82150 704.5381       245.8717 981.1976       390.3492 522.5870       316.5613 152.9321 42.16412 113.6748 39.17446 39.25735       57.55390 
1 1 1 -35 2  10 o 107.5263 33.85276 439.3087       238.2313 420.8364       362.1236 453.4037       316.3220 103.6489 40.72569 106.6206 38.91300 -2.971680      56.32764 
1 1 1 -35 2  11 o 94.28393 33.54054 326.1304       233.2213 352.7098       351.9081 305.3130       311.4371 98.02387 39.60106 93.55480 37.44201 4.469070       54.49907 
1 1 1 -35 2  12 o 117.5518 30.18721 505.9251       209.1825 490.3169       287.9991 523.3540       304.3337 110.2272 37.38130 112.8605 38.42466 -2.633232      53.60798 
1 1 1 -35 2  13 o 147.8487 24.60172 742.6387       205.8278 902.6097       281.2680 558.2087       302.0060 156.5753 31.71834 116.1457 38.25948 40.42957       49.69749 
1 1 1 -35 2  14 o 59.52335 26.63791 -12.88978      191.0965 27.25386       260.9107 -59.34488      280.6727 70.01782 31.24452 67.14466 30.91016 2.873161       43.95063 
1 1 1 -35 2  15 o 86.22987 30.08169 266.8598       186.9204 398.2217       255.5486 115.7134       274.1181 100.4326 35.16362 76.49811 33.13879 23.93454       48.31832 
1 1 1 -35 2  16 o 71.06971 28.72293 135.9133       185.2090 211.5584       252.8937 48.40706       271.9988 82.08309 33.42033 71.70728 31.95628 10.37582       46.23983 
1 1 1 -35 2  17 f 93.27684 29.41841 324.0159       179.8325 482.7037       252.8836 161.6666       255.7843 108.9193 34.94761 77.84442 32.81159 31.07489       47.93679 
1 1 1 -35 2  18 o 149.6731 20.82411 743.9465       177.8499 759.3315       252.2339 728.7349       250.8076 141.4321 31.24361 137.9873 31.66471 3.444794       44.48390 
1 1 1 -35 2  19 o 146.3526 21.92295 723.2466       182.3848 592.4786       259.5333 850.8345       256.3582 119.7295 34.85714 150.7776 30.04611 -31.04808      46.01944 
1 1 1 -35 2  20 o 166.1852 19.26416 906.4485       184.2816 928.3346       257.0310 883.2982       264.3501 158.7229 28.66655 152.5480 30.61292 6.174850       41.93950 
1 1 1 -35 2  21 o 73.81492 28.54581 181.8786       175.6618 157.0808       242.2299 209.3852       255.1176 74.93819 31.77480 79.62920 33.10913 -4.691002      45.88957 
1 1 1 -35 2  22 o 175.9665 17.62316 1003.859       179.4265 1240.159       257.7702 781.7554       249.9072 188.7288 23.81805 141.8892 30.90829 46.83965       39.02079 
1 1 1 -35 2  23 o 91.14995 28.66478 320.9899       170.8540 302.7685       244.4165 338.4017       238.9252 86.79929 33.64344 90.39023 33.67226 -3.590942      47.59940 
1 1 1 -35 2  24 o 227.3836 14.16084 1624.238       187.9047 1645.727       265.7085 1602.740       265.7663 220.7282 20.76976 217.3418 21.11583 3.386398       29.61860 
1 1 1 -35 2  25 o 56.76662 25.20480 20.62491       167.6262 180.0716       240.0766 -131.0504      234.1529 74.97590 31.70477 55.74990 26.47195 19.22600       41.30323 
1 1 1 -35 2  26 o 45.08191 21.68988 -170.0636      168.6644 -347.4901      242.7667 -4.511018      234.5028 48.57819 23.93783 62.01346 28.43958 -13.43528      37.17297 
1 1 1 -35 2  27 o 98.04465 28.97945 385.5946       178.2269 293.4333       252.8065 476.6623       251.3020 83.81183 33.66837 102.0036 34.91236 -18.19179      48.50188 
1 1 1 -35 3  1  o 143.7367 35.76480 774.5470       300.2708 732.6979       399.0670 829.1586       455.8746 131.6769 44.00001 136.6643 47.01414 -4.987381      64.39201 
1 1 1 -35 3  2  o 151.5192 35.00594 850.2133       304.8154 969.7441       408.3958 699.8791       458.0052 152.7674 43.49692 126.3385 46.70332 26.42891       63.82149 
1 1 1 -35 3  3  o 250.0683 22.24938 2017.703       322.9040 2373.790       446.5023 1627.281       467.5338 262.7413 29.48455 204.7109 40.37742 58.03033       49.99675 
1 1 1 -35 3  4  o 346.1811 17.88611 3738.742       361.9050 3527.270       491.6800 3988.780       534.6360 325.6845 25.95617 345.4061 26.59701 -19.72162      37.16348 
1 1 1 -35 3  5  o 301.5584 29.02292 3119.488       506.9584 0.000000       0.000000 3119.488       506.9584 ?        ?        301.5584 29.02292 0.000000       29.02292 
1 1 1 -35 3  6  o 174.4725 31.06254 1078.456       306.1914 916.7744       408.8431 1284.972       462.0650 146.4492 44.03896 174.1753 44.93665 -27.72606      62.91845 
1 1 1 -35 3  7  o 153.2174 33.92143 867.8183       296.7561 1069.311       393.8803 603.2840       451.3107 162.1961 41.30254 117.7900 45.69969 44.40610       61.59839 
1 1 1 -35 3  8  o 69.07133 31.43263 -41.15661      279.3400 68.33267       370.4091 -185.5414      425.3599 82.61320 37.02007 76.16879 36.02341 6.444405       51.65435 
1 1 1 -35 3  9  o 115.9156 33.43506 506.9119       239.8032 475.0609       354.2982 533.8388       325.7621 108.3342 40.86860 114.2301 39.72077 -5.895882      56.99107 
1 1 1 -35 3  10 o 140.0578 29.17313 697.2487       231.8381 307.9029       345.6671 1015.592       312.5635 94.96995 38.91785 165.5835 33.34094 -70.61359      51.24664 
1 1 1 -35 3  11 o 71.23361 30.36119 89.29229       223.1438 -50.49317      336.2612 199.2880       298.2865 73.33864 33.78737 84.94586 35.59572 -11.60722      49.07792 
1 1 1 -35 3  12 o 77.86644 31.53814 169.0304       223.8410 103.2414       333.4600 222.9887       301.9922 80.72765 35.71158 86.57854 36.01261 -5.850891      50.71711 
1 1 1 -35 3  13 o 68.28548 28.84345 86.54670       198.3356 7.822682       267.1096 183.2890       296.1038 69.62241 31.29864 83.16524 35.19114 -13.54283      47.09586 
1 1 1 -35 3  14 o 53.29723 24.79548 -102.0108      187.8104 -55.09831      249.8209 -162.9863      284.8143 64.03173 29.36093 62.71032 29.60374 1.321415       41.69467 
1 1 1 -35 3  15 o 121.0907 27.20652 522.6278       188.4865 642.1512       252.4936 372.1868       283.2741 129.0215 33.18248 97.29274 36.57800 31.72874       49.38651 
1 1 1 -35 3  16 o 85.66087 29.77211 265.0491       183.0030 246.1594       253.9917 285.4417       263.9035 85.05339 33.88860 88.80394 34.80432 -3.750549      48.57755 
1 1 1 -35 3  17 o 149.2280 21.59337 743.2047       183.4955 761.7745       265.4888 726.2203       253.9026 140.3972 32.83253 137.8245 32.02387 2.572693       45.86397 
1 1 1 -35 3  18 o 282.2937 13.04961 2451.585       215.4631 2096.857       301.8737 2819.969       307.6294 252.4581 20.56654 297.0184 17.74097 -44.56038      27.16109 
1 1 1 -35 3  19 o 182.7842 17.50201 1072.913       185.3299 1102.090       260.9362 1043.211       263.2716 176.6982 25.95260 170.4452 27.25491 6.253036       37.63466 
1 1 1 -35 3  20 f 123.7110 25.46991 546.4954       178.6332 436.7606       246.8385 667.1601       258.8396 102.0755 34.60720 127.9321 33.94286 -25.85661      48.47448 
1 1 1 -35 3  21 o 60.75944 25.90634 64.86572       162.5695 106.8494       217.3956 11.60248       244.8637 69.36459 29.77514 65.27760 29.59687 4.086990       41.98254 
1 1 1 -35 3  22 o 41.44896 20.26423 -242.6909      163.4957 -58.45884      221.4252 -463.5454      242.4363 58.67106 27.16699 45.81668 22.80957 12.85438       35.47283 
1 1 1 -35 3  23 o 95.28350 28.90589 353.1357       175.5890 324.7533       238.5301 386.7082       259.4243 88.91620 33.53552 94.52483 35.11113 -5.608635      48.55330 
1 1 1 -35 3  24 o 121.9549 25.32316 541.7187       175.1896 378.0382       237.2327 738.0451       259.8157 93.78312 33.77334 133.3094 33.32483 -39.52625      47.44663 
1 1 1 -35 3  25 o 45.99457 21.98480 -148.0220      167.0778 139.2761       228.4467 -478.4286      244.9869 71.23154 30.54858 45.29662 22.61045 25.93491       38.00589 
1 1 1 -35 3  26 o 243.1198 13.89275 1857.936       197.2638 1950.206       278.0756 1764.466       279.8795 240.9267 19.85621 227.0432 21.26650 13.88351       29.09524 
1 1 1 -35 3  27 o 47.26227 22.54376 -138.4200      173.7625 -78.37907      248.2794 -196.0633      243.2717 59.20709 27.85432 53.65237 25.87267 5.554714       38.01655 
1 1 1 -35 4  1  o 52.79913 26.04684 -504.8024      290.1700 -647.4794      377.2523 -298.1080      454.0663 59.14383 29.27235 75.70841 36.20263 -16.56458      46.55643 
1 1 1 -35 4  2  o 103.3340 37.60523 395.7407       295.1138 229.9242       383.6724 635.9794       461.8152 93.39911 39.81003 121.2633 46.44275 -27.86423      61.16999 
1 1 1 -35 4  3  f 94.31876 36.72481 297.9704       292.2659 366.7669       383.3798 202.5108       451.6018 102.1242 41.30650 95.00111 41.81147 7.123047       58.77436 
1 1 1 -35 4  4  o 157.8464 33.16843 905.4240       297.2773 651.8408       384.9452 1280.118       467.9261 124.4027 43.18300 173.5485 45.44517 -49.14578      62.68999 
1 1 1 -35 4  5  f 100.4930 37.11307 370.5909       289.0980 519.5635       378.1774 161.1245       448.4348 113.1335 42.31955 92.44296 41.12472 20.69054       59.01006 
1 1 1 -35 4  6  o 98.01438 36.65942 347.0894       283.7638 274.9960       375.6615 442.8839       433.0307 95.10738 39.90625 107.2520 43.70809 -12.14465      59.18535 
1 1 1 -35 4  7  o 125.2529 36.52661 610.3900       284.7761 827.3762       377.1129 322.4649       434.4052 140.0385 42.33611 99.59268 42.40220 40.44583       59.91905 
1 1 1 -35 4  8  o 174.4817 25.22469 1024.125       250.6403 1150.995       368.2900 914.6722       342.0775 172.5670 37.46635 152.0525 38.36674 20.51451       53.62587 
1 1 1 -35 4  9  o 246.3869 18.05098 1913.440       259.0266 2091.619       381.9768 1761.750       352.4411 247.8695 26.69673 227.0208 26.99929 20.84875       37.96942 
1 1 1 -35 4  10 o 61.56231 28.16511 -62.86998      228.1630 243.5487       332.4660 -335.6633      313.6942 89.87872 37.61560 60.00946 29.04577 29.86926       47.52462 
1 1 1 -35 4  11 o 76.55546 31.20421 155.4769       220.7592 563.6552       319.4892 -217.4684      305.3893 116.3028 39.37252 63.17913 30.06582 53.12370       49.53937 
1 1 1 -35 4  12 f 129.1103 29.72675 604.2621       220.4343 717.7736       319.3539 500.9640       304.6481 131.7607 38.75159 110.4222 38.41106 21.33849       54.56277 
1 1 1 -35 4  13 o 52.47002 24.99347 -189.3268      212.0691 -368.7586      297.6332 -4.295223      302.2419 56.74015 27.65269 72.15335 32.78059 -15.41320      42.88634 
1 1 1 -35 4  14 o 51.42207 24.28012 -146.3985      191.7788 -113.1621      253.7031 -190.7110      292.9416 61.39994 28.64974 62.37463 29.61517 -0.9746933     41.20517 
1 1 1 -35 4  15 o 75.73431 29.40189 178.3257       186.9013 449.7441       253.2039 -146.5941      277.0377 105.9660 35.03761 62.26862 29.33445 43.69733       45.69621 
1 1 1 -35 4  16 o 61.77011 26.79887 40.80896       179.8144 157.5521       244.1235 -97.64529      265.8563 77.05872 32.24034 63.10095 29.40496 13.95776       43.63589 
1 1 1 -35 4  17 o 129.0495 25.82125 587.7302       188.5987 537.5783       262.0982 641.5813       271.5928 114.1610 35.44381 125.2453 35.40781 -11.08424      50.09967 
1 1 1 -35 4  18 o 112.7365 28.14060 469.4290       185.4643 660.6528       258.0423 265.0872       266.7466 128.5169 33.79339 85.91174 34.55904 42.60519       48.33550 
1 1 1 -35 4  19 o 160.5820 19.54417 847.4837       180.2759 997.3220       245.7540 672.9170       265.2589 168.1631 25.73571 128.3486 34.50061 39.81451       43.04206 
1 1 1 -35 4  20 o 60.84808 26.21700 54.82191       169.7415 -82.35027      228.3320 224.2761       253.7814 58.56109 27.27649 81.12280 33.30636 -22.56171      43.05021 
1 1 1 -35 4  21 o 59.91066 26.10258 43.12784       172.1065 -271.6484      230.1316 442.6101       259.2531 50.29110 24.46601 101.2033 35.41872 -50.91217      43.04732 
1 1 1 -35 4  22 o 51.62247 23.86306 -64.28930      169.7847 71.86837       223.3014 -250.8679      261.3975 66.97457 29.44147 54.70864 26.48828 12.26593       39.60340 
1 1 1 -35 4  23 o 67.67384 27.38733 134.1977       168.6404 148.8696       222.5535 114.4133       258.4359 72.40703 30.56747 72.06847 31.67715 0.3385544      44.02059 
1 1 1 -35 4  24 o 137.5504 22.28608 657.3245       173.6356 601.4171       232.5630 727.7438       261.0065 120.8354 32.22612 131.7203 33.66436 -10.88496      46.60270 
1 1 1 -35 4  25 o 74.36930 27.95463 200.2168       165.4366 302.4962       229.1368 88.84309       239.1068 85.61935 32.73310 68.29161 30.22372 17.32774       44.55254 
1 1 1 -35 4  26 o 41.42071 20.19583 -217.0314      159.2641 -135.4381      215.3808 -315.4730      236.5752 53.18815 25.29366 48.82169 23.97314 4.366455       34.84940 
1 1 1 -35 4  27 o 87.85104 28.12788 306.0392       163.8809 376.8972       225.5134 226.7441       238.5620 92.67432 32.98020 77.80383 32.15323 14.87049       46.06001 
1 1 1 -35 5  1  f 73.77404 32.77920 23.93471       284.0119 14.36303       369.8759 37.68610       443.3384 80.69471 36.50230 86.89361 39.56473 -6.198898      53.83109 
1 1 1 -35 5  2  o 115.3876 36.98373 513.4135       283.2635 544.6849       362.7049 464.5178       453.5392 115.8203 41.75371 109.5089 44.69215 6.311386       61.16175 
1 1 1 -35 5  3  o 208.8282 25.17805 1450.267       302.1471 1558.274       392.6049 1293.371       473.1906 207.9637 33.31393 173.8593 45.78382 34.10448       56.62134 
1 1 1 -35 5  4  o 288.1712 19.45232 2627.101       326.8288 1906.771       416.7586 3777.734       526.7288 232.4080 31.37697 334.7757 27.05803 -102.3676      41.43249 
1 1 1 -35 5  5  o 163.4322 30.83085 948.3152       284.6783 1039.468       369.0543 814.3901       447.3373 162.4958 39.18430 134.0985 46.55106 28.39731       60.84744 
1 1 1 -35 5  6  o 111.3916 35.92228 477.2061       266.9543 615.4194       341.1834 259.0099       428.6833 122.1392 40.68115 95.93005 41.49921 26.20916       58.11317 
1 1 1 -35 5  7  o 75.21565 31.59385 118.1145       235.8548 -33.71353      340.7917 257.6881       326.7494 75.21436 34.41506 91.39759 37.68645 -16.18324      51.03592 
1 1 1 -35 5  8  o 109.9814 33.46968 456.6684       235.1604 651.9032       348.5011 293.4614       318.6361 124.3145 41.10567 93.42212 37.70371 30.89239       55.77854 
1 1 1 -35 5  9  o 69.44894 30.29701 50.57335       232.4956 109.1558       339.4113 -1.214765      319.1226 82.03764 36.17134 74.51534 33.78635 7.522301       49.49629 
1 1 1 -35 5  10 o 70.68436 30.29002 80.44415       224.2687 134.3841       320.7234 28.83415       313.7201 82.03066 35.68784 75.42717 33.91296 6.603493       49.23120 
1 1 1 -35 5  11 o 99.14595 32.55243 368.2839       218.6961 238.9844       299.9996 514.9254       319.4853 87.75024 36.13941 111.4266 39.29282 -23.67634      53.38522 
1 1 1 -35 5  12 o 104.2231 31.77032 408.1376       211.7691 61.71946       290.1018 803.3135       309.8456 74.94236 33.22275 141.9218 36.89052 -66.97945      49.64536 
1 1 1 -35 5  13 o 193.5184 20.31843 1215.322       227.1667 1310.198       325.9826 1125.748       316.7413 190.8171 30.12773 174.5150 32.13080 16.30217       44.04621 
1 1 1 -35 5  14 o 60.75512 27.36798 -19.62023      205.4098 -124.6039      292.1091 83.07232       288.9040 64.99472 30.46163 75.55930 33.34097 -10.56458      45.16117 
1 1 1 -35 5  15 o 108.9098 29.53403 440.1754       193.3593 357.5248       259.0488 544.1554       290.5585 95.78323 35.17305 113.8264 37.52884 -18.04319      51.43498 
1 1 1 -35 5  16 o 79.93167 29.74774 219.0597       186.3910 227.4754       250.8178 208.6800       278.5514 83.06828 33.47755 82.72599 34.51233 0.3422928      48.08168 
1 1 1 -35 5  17 o 105.3713 28.24648 410.5088       178.1045 294.5511       226.7485 597.2857       287.7771 88.46410 32.83201 118.3169 37.20092 -29.85284      49.61703 
1 1 1 -35 5  18 f 289.2787 12.74975 2570.868       215.7748 2487.958       290.2769 2673.254       322.5756 278.5667 17.86188 286.7720 19.29206 -8.205322      26.29126 
1 1 1 -35 5  19 o 114.9627 27.02322 482.8984       179.1037 330.3648       242.4178 666.2371       265.7718 91.20100 33.92849 127.3391 34.66463 -36.13813      48.50546 
1 1 1 -35 5  20 o 82.44274 29.25926 252.4971       177.3877 267.6508       238.0333 233.5702       266.0218 84.43694 33.06577 82.12950 33.94830 2.307434       47.39021 
1 1 1 -35 5  21 o 136.6072 23.39288 649.6260       180.6799 671.3049       240.9858 621.7951       273.0468 130.1573 31.83702 119.7040 35.98810 10.45329       48.04934 
1 1 1 -35 5  22 o 51.99607 24.13645 -73.32717      176.4363 -71.42092      232.8186 -75.89886      270.4191 59.17811 27.55694 62.79736 29.39212 -3.619247      40.28997 
1 1 1 -35 5  23 o 75.33765 28.70323 201.6800       175.8001 237.8260       230.6964 151.6190       271.4940 80.27677 32.19197 75.12270 32.75642 5.154068       45.92718 
1 1 1 -35 5  24 o 69.77794 27.19437 161.4593       160.3742 48.94472       198.3030 374.1772       272.6635 62.31995 27.55528 91.81402 35.54879 -29.49407      44.97788 
1 1 1 -35 5  25 o 62.80305 26.13331 99.48660       159.1177 -5.563875      200.5617 277.9122       261.3831 58.63418 26.66389 83.20224 33.93880 -24.56806      43.16023 
1 1 1 -35 5  26 o 48.31517 22.60191 -82.95055      159.5571 -167.0860      209.2101 34.03011       246.6892 50.94445 24.41781 65.19734 29.61832 -14.25290      38.38586 
1 1 1 -35 5  27 o 48.11253 22.44379 -72.90136      155.5298 -160.2838      209.2665 34.92635       232.4625 50.99045 24.43488 63.63356 28.84597 -12.64311      37.80414 
1 1 1 -35 6  1  o 95.11053 36.65090 311.9847       288.8302 164.9861       366.5087 552.8818       469.1844 88.17689 38.25775 114.7447 45.94489 -26.56778      59.78786 
1 1 1 -35 6  2  o 118.0176 36.48805 537.8025       278.1024 417.4348       354.3539 730.8392       448.7477 104.9057 40.55052 127.6782 46.38551 -22.77244      61.61137 
1 1 1 -35 6  3  o 287.0287 19.28424 2605.159       322.7384 2383.956       413.8595 2948.435       515.5598 265.6465 26.93625 289.9565 30.78768 -24.31006      40.90773 
1 1 1 -35 6  4  o 180.4436 28.31128 1123.285       289.7562 1036.667       366.8195 1267.012       472.5186 162.3056 39.01926 170.4788 46.14296 -8.173233      60.42910 
1 1 1 -35 6  5  o 178.7111 27.51653 1095.374       279.1602 726.2683       343.9602 1807.752       477.8460 132.8430 40.48873 215.6654 39.22403 -82.82248      56.37253 
1 1 1 -35 6  6  o 120.8078 34.89248 558.5701       261.0033 266.8003       318.3046 1157.337       455.9864 91.70289 37.43493 161.6910 45.93619 -69.98811      59.25797 
1 1 1 -35 6  7  o 106.8282 32.61329 425.6231       223.0459 447.3500       316.9409 404.3043       313.9496 106.3731 38.93082 102.5329 38.51621 3.840263       54.76410 
1 1 1 -35 6  8  o 114.9591 32.65309 495.6175       230.4277 612.9291       339.3586 395.2606       313.8788 120.7927 40.57802 101.4419 38.42225 19.35080       55.88243 
1 1 1 -35 6  9  o 43.75647 21.78941 -478.7918      221.8121 -99.24934      317.1481 -842.2188      310.3420 69.48312 32.29021 47.11578 23.77639 22.36735       40.09955 
1 1 1 -35 6  10 o 80.16544 31.92480 191.5587       225.2953 29.35760       315.7353 359.8167       321.5764 75.50984 33.97984 97.90006 38.40462 -22.39022      51.27909 
1 1 1 -35 6  11 o 91.90129 32.41559 307.9936       217.4467 219.8612       297.7872 408.6642       318.2654 86.09978 35.78286 101.6501 38.64594 -15.55033      52.66803 
1 1 1 -35 6  12 o 199.8522 19.36334 1283.025       224.1147 1666.069       321.9933 923.0911       312.1290 221.5476 25.23067 154.4424 35.24071 67.10515       43.34160 
1 1 1 -35 6  13 o 119.2465 30.16548 525.2800       211.0822 835.8807       304.4495 237.7685       292.9150 145.3660 35.92122 86.56599 35.68686 58.80000       50.63483 
1 1 1 -35 6  14 o 44.85563 22.06294 -341.1747      203.1165 -28.39401      282.0636 -678.0667      292.7336 68.51943 31.33583 47.87772 24.01781 20.64172       39.48150 
1 1 1 -35 6  15 o 60.92543 27.59188 -25.97891      212.0761 409.0979       296.4504 -482.0427      303.5162 100.0649 37.46105 53.67287 26.50799 46.39203       45.89121 
1 1 1 -35 6  16 o 68.74060 28.72790 107.4363       193.5029 291.8103       253.4896 -150.0293      299.5504 88.69720 34.29394 64.00779 30.25948 24.68941       45.73522 
1 1 1 -35 6  17 o 101.7508 28.96891 388.1723       181.1528 634.9063       237.6467 45.94753       279.8808 128.3003 31.75559 71.43117 32.08098 56.86916       45.13986 
1 1 1 -35 6  18 o 71.47414 28.33102 154.0910       176.6346 229.0065       229.5943 45.44680       276.4896 81.40123 32.28921 70.76501 31.82525 10.63622       45.33696 
1 1 1 -35 6  19 o 152.5460 23.77181 805.4020       205.7448 456.5658       283.9185 1191.165       298.5679 102.2886 36.93284 179.2009 29.42947 -76.91235      47.22423 
1 1 1 -35 6  20 o 77.47552 29.13371 212.3638       179.7249 432.0493       233.6535 -105.9475      281.2532 101.8958 33.65638 62.86037 29.59577 39.03538       44.81810 
1 1 1 -35 6  21 o 63.90873 27.30171 79.77441       181.1750 105.3304       238.5636 44.94989       278.4841 70.66776 30.76133 69.83862 31.62432 0.8291473      44.11754 
1 1 1 -35 6  22 o 80.42484 29.23241 241.3717       178.2535 360.3816       237.7969 88.72797       269.3112 92.83213 33.76044 71.41840 31.81465 21.41373       46.38900 
1 1 1 -35 6  23 o 35.65014 17.90072 -414.6110      164.5188 -426.5312      214.1644 -397.4494      256.9713 42.83000 21.34133 49.14821 24.29498 -6.318211      32.33726 
1 1 1 -35 6  24 o 57.73031 25.19405 41.56021       160.8996 125.1614       202.9069 -100.0607      264.0915 68.62897 29.08979 60.31814 28.48414 8.310829       40.71317 
1 1 1 -35 6  25 o 63.85651 25.66379 118.9087       146.9592 166.9922       184.0552 34.33902       244.0943 71.19347 28.68287 65.16066 29.54643 6.032814       41.17886 
1 1 1 -35 6  26 o 112.9167 24.85833 468.1286       160.1529 619.1611       208.5548 251.0609       250.0246 126.0063 28.84539 80.44438 33.04674 45.56194       43.86506 
1 1 1 -35 7  1  o 71.72334 34.70918 -393.8677      447.4322 0.000000       0.000000 -393.8677      447.4322 ?        ?        71.72334 34.70918 0.000000       34.70918 
1 1 1 -35 7  2  o 79.76347 34.27718 119.1036       288.7122 142.2906       364.4188 80.01582       473.1500 86.34657 37.79392 89.60232 40.82719 -3.255745      55.63488 
1 1 1 -35 7  3  o 66.55646 30.58566 -76.87789      273.1365 -199.8654      344.4685 131.3914       448.2617 68.58690 32.43164 90.38798 40.59702 -21.80108      51.96085 
1 1 1 -35 7  4  o 150.5820 31.09041 814.8829       265.4677 567.3547       326.5756 1297.049       455.7953 117.8780 39.80717 174.5378 44.42229 -56.65987      59.64856 
1 1 1 -35 7  5  o 168.5758 27.31962 977.1189       260.8608 1013.350       326.6921 913.3780       433.3188 164.2437 34.98766 142.2086 45.75816 22.03511       57.60162 
1 1 1 -35 7  6  f 210.7740 19.23797 1414.501       235.1895 1624.449       346.0986 1234.369       320.5815 217.1917 27.80816 186.5491 30.34369 30.64256       41.15864 
1 1 1 -35 7  7  o 56.43615 26.38755 -130.4187      217.0271 -210.9677      311.8033 -54.72277      302.2644 64.40142 30.57061 70.31828 32.26301 -5.916855      44.44619 
1 1 1 -35 7  8  o 135.5517 29.16197 655.0774       224.9489 809.9390       318.0705 500.1082       318.1810 142.7416 37.51153 110.6490 39.19480 32.09260       54.25262 
1 1 1 -35 7  9  o 75.50053 31.10598 141.5991       222.3613 221.3529       309.7595 56.80667       319.3945 87.09490 36.36913 77.35889 34.54156 9.736008       50.15808 
1 1 1 -35 7  10 o 198.7491 20.55406 1279.534       236.1285 1377.491       332.3968 1179.741       335.4970 196.8463 29.71721 178.0557 33.35323 18.79060       44.67158 
1 1 1 -35 7  11 o 106.3258 32.31050 428.0884       219.2604 578.6800       303.4029 263.4678       317.2206 118.2218 38.31059 89.93571 37.11317 28.28613       53.33937 
1 1 1 -35 7  12 o 85.24026 31.84662 252.1826       214.0281 427.7922       295.3161 57.89169       310.6270 102.9993 37.59761 76.05656 34.00481 26.94270       50.69426 
1 1 1 -35 7  13 o 99.98908 31.66207 378.7671       208.1194 673.7567       288.2012 57.30093       300.8570 128.8603 36.48962 74.95791 33.49305 53.90235       49.53057 
1 1 1 -35 7  14 o 76.55424 30.80951 172.4081       212.1128 218.1159       289.1095 119.1212       312.1606 84.35004 35.17282 79.04285 34.77602 5.307198       49.46209 
1 1 1 -35 7  15 o 124.9127 29.44408 576.3086       212.1546 683.8825       300.6331 469.5910       299.4342 127.4082 37.63219 105.3027 37.94072 22.10554       53.43856 
1 1 1 -35 7  16 f 61.46476 27.18532 20.32471       193.1541 -122.6601      261.1978 192.8759       286.9350 61.05260 28.67458 81.50288 34.57161 -20.45028      44.91579 
1 1 1 -35 7  17 o 129.4467 24.61980 585.3519       180.0788 426.3738       232.6458 822.9753       284.4273 102.7517 33.56512 143.6388 34.24800 -40.88711      47.95355 
1 1 1 -35 7  18 o 81.06919 29.38096 237.3477       179.8941 358.7682       233.4649 59.90023       282.2348 94.52538 33.56504 71.92943 32.26728 22.59595       46.55952 
1 1 1 -35 7  19 o 211.9376 21.21716 1503.833       260.1797 1131.235       463.8806 1674.842       314.2648 144.0654 47.41514 218.7750 24.93808 -74.70959      53.57335 
1 1 1 -35 7  20 o 89.03603 29.95736 306.7032       184.9585 37.47470       240.8505 693.6984       288.7619 66.49169 29.81947 126.0108 36.79087 -59.51909      47.35788 
1 1 1 -35 7  21 o 55.39141 25.03812 -16.64223      173.6544 143.6440       225.3044 -251.2105      272.5562 72.58711 30.70517 55.97528 27.08862 16.61183       40.94632 
1 1 1 -35 7  22 o 56.46899 25.18598 8.355984       169.3155 33.71032       220.0219 -28.46168      265.1355 63.82043 28.57031 64.40223 29.78812 -0.5817986     41.27462 
1 1 1 -35 7  23 o 110.0087 27.63854 460.9161       178.0675 443.3201       233.7398 485.2522       274.8849 101.3771 33.66909 102.7033 36.42575 -1.326180      49.60285 
1 1 1 -35 7  24 o 50.32177 24.30490 -209.0650      216.7510 -568.0764      397.5201 -57.16901      258.5699 58.27559 29.04363 61.73358 28.84419 -3.457993      40.93311 
1 1 1 -35 7  25 o 67.37328 26.77855 143.6481       158.2167 530.9814       202.9572 -456.3817      252.6087 115.4581 29.77876 46.71774 23.26222 68.74034       37.78764 
1 1 1 -35 7  26 o 99.81975 26.21645 378.7450       155.4205 322.2715       200.4253 463.9256       246.1505 87.96299 31.11250 101.0708 34.55376 -13.10782      46.49677 
1 1 1 -35 8  1  o 99.51070 37.03630 367.2596       288.9237 530.9205       358.2317 62.66689       488.7099 113.4823 41.41167 89.47533 41.04191 24.00694       58.30407 
1 1 1 -35 8  2  o 154.8955 32.98180 880.9238       290.4223 983.9292       362.9201 697.5005       484.2928 156.7912 39.49384 122.6707 47.40895 34.12052       61.70390 
1 1 1 -35 8  3  o 102.4168 36.53181 398.8640       276.8531 88.13860       347.7802 936.4382       457.4415 81.90475 36.33897 142.1153 47.09805 -60.21059      59.48737 
1 1 1 -35 8  4  o 215.6479 21.87476 1512.773       272.8319 1214.130       329.1005 2169.113       487.8842 183.6717 31.69681 240.8008 35.62006 -57.12910      47.68099 
1 1 1 -35 8  5  o 180.0901 25.30574 1093.790       259.9126 1083.839       316.4510 1114.420       455.6313 172.3626 32.49643 157.0091 46.31625 15.35342       56.57927 
1 1 1 -35 8  6  o 176.6474 22.69680 1028.200       229.7107 932.2008       315.7722 1136.104       334.7804 156.4941 35.25422 174.9000 33.86153 -18.40590      48.88214 
1 1 1 -35 8  7  o 56.12390 26.13780 -115.1146      209.5546 -78.22041      278.0047 -163.6603      318.8959 66.53150 30.67655 66.91956 31.50915 -0.3880615     43.97587 
1 1 1 -35 8  8  o 68.99395 29.24958 83.14371       205.2020 -83.77907      276.4471 287.9736       306.2322 65.97916 30.48193 91.97575 37.01805 -25.99659      47.95293 
1 1 1 -35 8  9  o 143.9337 25.60645 710.1221       208.2308 651.2665       285.6336 776.8815       304.2088 128.0449 36.34970 140.1257 36.61781 -12.08078      51.59616 
1 1 1 -35 8  10 o 84.47061 31.13359 244.9394       203.2726 236.1715       277.5207 255.0880       298.5741 86.36414 35.06666 88.69531 36.23753 -2.331177      50.42648 
1 1 1 -35 8  11 o 143.2786 27.18613 720.2915       220.0889 1239.321       315.6522 229.2222       307.0323 185.7151 30.00330 86.78094 36.22115 98.93417       47.03371 
1 1 1 -35 8  12 o 54.66124 25.58945 -122.1287      205.1548 -335.9305      279.4554 127.7846       302.1353 55.47627 26.98221 79.36350 34.58131 -23.88723      43.86237 
1 1 1 -35 8  13 o 50.09053 24.09480 -223.4674      207.8979 -362.8216      278.3152 -47.54808      312.7042 54.32338 26.53277 70.33744 32.46834 -16.01406      41.93067 
1 1 1 -35 8  14 o 72.02358 29.80145 129.8827       205.2871 -145.9100      272.3293 492.8590       312.4224 61.61345 29.04370 107.2912 38.74199 -45.67772      48.41981 
1 1 1 -35 8  15 o 67.29977 28.90397 78.10896       205.0622 95.40592       277.5152 57.30635       304.3413 74.58202 32.80228 74.30534 33.40591 0.2766800      46.81821 
1 1 1 -35 8  16 o 58.84249 26.92671 -45.44311      208.6917 -230.4761      302.1755 123.2956       288.5639 60.88492 29.22527 76.72609 33.60588 -15.84117      44.53619 
1 1 1 -35 8  17 o 145.3609 24.69068 736.9011       202.9679 745.6432       278.7680 727.0384       296.0950 135.2906 34.90316 130.7615 36.97162 4.529144       50.84419 
1 1 1 -35 8  18 f 102.1740 29.16673 397.6961       183.3951 400.4202       233.0530 393.2656       297.2128 98.94618 33.62599 96.11423 37.14138 2.831955       50.10180 
1 1 1 -35 8  19 o 177.9233 18.62179 1033.825       191.4396 1102.895       248.7632 933.5101       299.7954 177.5381 24.54766 151.4531 34.52213 26.08501       42.35995 
1 1 1 -35 8  20 o 151.8100 21.37086 780.1688       185.0116 813.5942       241.4009 732.5861       288.0214 147.3077 28.97516 130.2966 36.33106 17.01102       46.47048 
1 1 1 -35 8  21 o 90.27334 28.54076 312.8288       169.1676 532.0324       217.0413 -26.45496      270.0225 115.4304 31.28540 65.17245 30.11505 50.25799       43.42456 
1 1 1 -35 8  22 o 88.08282 28.76761 301.1121       170.8979 302.1741       218.4920 299.4383       274.2856 86.63467 32.21434 86.11378 34.89948 0.5208817      47.49460 
1 1 1 -35 8  23 o 83.75121 28.68245 272.0560       169.6232 290.6289       218.5887 243.9441       268.9263 84.86243 32.08166 81.03547 33.86663 3.826965       46.64956 
1 1 1 -35 8  24 o 69.23573 27.51117 155.2926       166.9477 151.6462       216.2354 160.6739       262.6848 71.50623 30.15581 74.50045 32.35586 -2.994217      44.22979 
1 1 1 -35 8  25 o 62.14416 26.09794 92.32150       160.8847 18.00149       204.5711 212.8125       260.4766 60.47344 27.27023 77.85701 32.97838 -17.38357      42.79298 
1 1 1 -35 8  26 o 71.03768 27.15179 179.0329       157.6334 215.1155       203.8939 125.4231       248.5289 76.02614 30.33944 70.58118 31.04233 5.444954       43.40631 
1 1 1 -35 9  1  o 161.5443 31.42913 940.5302       287.0449 913.4659       351.3765 994.8259       497.6871 150.6879 39.34278 143.2814 49.12872 7.406509       62.94034 
1 1 1 -35 9  2  o 148.8974 32.28196 811.6810       273.7599 717.9637       331.6372 1012.133       485.0188 132.3280 39.63397 145.5434 48.50480 -13.21536      62.63839 
1 1 1 -35 9  3  o 115.7551 34.95224 516.2665       257.1503 356.1991       307.1324 891.5555       470.2807 98.22805 37.80943 136.8337 47.71604 -38.60561      60.87999 
1 1 1 -35 9  4  o 241.5461 25.45453 1963.007       355.1766 1963.007       355.1766 0.000000       0.000000 241.5461 25.45453 ?        ?        0.000000       25.45453 
1 1 1 -35 9  5  o 322.9494 19.15799 3312.725       361.2261 0.000000       0.000000 3312.725       361.2261 ?        ?        322.9494 19.15799 0.000000       19.15799 
1 1 1 -35 9  6  o 165.4602 23.32769 910.1879       220.0939 721.3864       295.3715 1145.886       330.0227 135.4866 36.40053 176.1771 33.15710 -40.69049      49.23811 
1 1 1 -35 9  7  o 135.5075 27.50605 643.4017       211.1197 796.9197       284.9377 456.5391       314.3631 145.0008 34.08521 106.4134 38.79925 38.58740       51.64478 
1 1 1 -35 9  8  o 189.3475 19.72072 1153.175       215.7889 1274.605       294.4207 1012.233       317.1934 192.3775 26.82379 163.8558 34.11773 28.52168       43.39971 
1 1 1 -35 9  9  o 150.0804 24.01817 759.6378       204.2790 872.4748       273.5327 617.3397       307.1730 154.3968 31.28103 122.1043 38.43996 32.29256       49.55939 
1 1 1 -35 9  10 o 144.3350 25.18443 714.1694       205.4339 721.7188       279.8828 705.3513       302.4869 136.0128 34.91266 131.5933 37.42329 4.419449       51.18005 
1 1 1 -35 9  11 o 94.76681 30.94860 333.7566       197.7946 536.2141       259.9146 55.18203       304.8839 115.9911 35.16438 75.29454 33.67477 40.69655       48.68803 
1 1 1 -35 9  12 o 227.4748 17.13848 1635.402       226.9604 1938.920       314.2008 1304.240       328.1976 241.7982 22.41165 189.0905 30.64262 52.70770       37.96383 
1 1 1 -35 9  13 o 85.23940 31.29082 259.6154       204.9926 316.0663       273.6273 187.4030       309.4783 91.79745 35.59262 83.06905 35.58928 8.728394       50.33320 
1 1 1 -35 9  14 o 119.9977 29.83412 537.6646       209.0658 662.1197       278.8137 377.8066       315.9913 127.1652 35.84946 96.62404 38.01966 30.54115       52.25589 
1 1 1 -35 9  15 o 85.00814 31.08528 264.0822       202.0048 433.1889       276.1039 69.30231       296.3223 101.8277 36.46412 74.16763 33.18267 27.66009       49.30235 
1 1 1 -35 9  16 o 56.97506 26.38262 -75.59515      208.8515 -210.3708      288.0502 73.78659       303.2573 60.01044 28.73339 74.53124 33.43991 -14.52080      44.08894 
1 1 1 -35 9  17 o 80.08334 30.66137 225.4628       201.2439 -143.9355      272.4198 669.2123       298.5796 60.82806 28.78618 123.6941 37.72791 -62.86601      47.45565 
1 1 1 -35 9  18 o 179.1720 19.84498 1060.571       205.0394 1029.152       285.6303 1093.973       294.5126 164.5942 30.71918 169.8237 30.69995 -5.229523      43.42988 
1 1 1 -35 9  19 o 133.1168 24.61667 626.2822       185.1050 755.8184       241.1046 440.3223       288.8814 140.7290 30.12207 99.68349 37.04646 41.04546       47.74703 
1 1 1 -35 9  20 o 102.2493 28.94365 402.7697       181.3609 504.8793       232.8471 245.2827       289.1745 110.3102 33.24899 83.10038 34.94921 27.20978       48.23840 
1 1 1 -35 9  21 o 134.7864 22.93658 632.5082       174.8234 599.6878       218.7186 690.5759       290.9252 123.7279 30.37055 124.0663 37.11275 -0.3383636     47.95546 
1 1 1 -35 9  22 o 56.13243 24.86985 17.90109       162.3352 152.9156       203.2455 -219.9965      269.7899 71.36930 29.60283 56.31721 27.17975 15.05209       40.18789 
1 1 1 -35 9  23 o 130.4419 22.84592 597.6895       168.4083 632.8786       227.1021 554.6978       251.0208 125.4666 31.03655 112.2547 34.65900 13.21191       46.52434 
1 1 1 -35 9  24 o 142.2534 21.26307 695.8943       171.9588 633.8623       234.0125 768.7061       253.5316 124.0535 31.96585 137.2141 32.08226 -13.16060      45.28893 
1 1 1 -35 9  25 o 81.83333 27.74320 259.3318       158.6328 235.2989       203.1353 296.8964       253.9634 78.41391 30.59273 84.33172 33.79060 -5.917809      45.58201 
1 1 1 -35 10 1  o 87.38161 34.60994 245.0417       263.4160 354.7752       314.4195 -13.31526      482.4473 98.15121 38.12657 85.68450 39.82153 12.46671       55.13066 
1 1 1 -35 10 2  o 104.0586 35.59746 415.8116       261.2540 511.3793       313.2650 197.5196       473.4508 112.2461 38.95597 93.67726 41.92512 18.56886       57.23009 
1 1 1 -35 10 3  f 252.3211 19.75402 2035.068       289.9921 1773.844       351.4854 2591.969       513.2024 227.8653 26.81406 265.5572 33.71047 -37.69186      43.07423 
1 1 1 -35 10 4  f 353.3733 21.26162 4036.610       438.5985 4036.610       438.5985 0.000000       0.000000 353.3733 21.26162 ?        ?        0.000000       21.26162 
1 1 1 -35 10 5  o 159.0745 24.28237 850.4941       219.3708 655.9230       301.5696 1069.161       319.6978 127.5118 37.69799 169.8111 33.29184 -42.29929      50.29398 
1 1 1 -35 10 6  o 139.5436 45.16790 893.5579       421.8096 0.000000       0.000000 893.5579       421.8096 ?        ?        139.5436 45.16790 0.000000       45.16790 
1 1 1 -35 10 7  f 82.78100 30.55967 230.9072       195.9810 24.90689       260.0528 501.6965       298.1558 70.16851 31.26011 110.9301 38.02617 -40.76156      49.22585 
1 1 1 -35 10 8  o 52.67035 24.68012 -125.6467      191.5737 -188.4699      252.4136 -40.29080      294.2181 58.01424 27.52907 69.66878 31.91493 -11.65454      42.14751 
1 1 1 -35 10 9  o 128.3499 27.62010 584.3904       201.7413 995.8839       267.0007 36.90013       307.9775 168.1098 28.07035 74.75542 33.60685 93.35435       43.78773 
1 1 1 -35 10 10 o 54.91009 25.49181 -96.60571      196.8870 -298.5692      253.9548 207.6868       311.7207 53.62121 25.99655 85.18586 36.07948 -31.56465      44.46965 
1 1 1 -35 10 11 o 134.8719 27.39422 645.6069       209.2829 638.4925       279.3542 654.7076       315.9552 125.6483 36.03907 123.8740 38.98402 1.774292       53.09019 
1 1 1 -35 10 12 o 100.2892 30.30430 377.5072       193.2562 443.6764       248.8470 276.9539       306.7628 105.3325 34.73089 89.30367 36.63659 16.02882       50.48241 
1 1 1 -35 10 13 o 180.4251 20.02239 1063.728       208.3041 1072.292       274.7955 1052.159       319.3789 173.2644 27.99697 164.4985 34.22094 8.765900       44.21428 
1 1 1 -35 10 14 o 65.52273 28.13297 70.54612       194.1671 139.5333       256.8395 -21.46926      296.6251 76.01546 32.49100 69.43820 31.89662 6.577255       45.53086 
1 1 1 -35 10 15 o 81.53554 30.94983 234.7119       203.9291 528.0897       272.2431 -140.3581      307.8218 111.6372 36.29865 64.81570 30.65128 46.82149       47.50887 
1 1 1 -35 10 16 o 69.89030 29.35215 117.3456       203.5207 484.7766       274.3133 -332.5673      303.5450 106.3513 36.47353 57.32806 27.93627 49.02326       45.94294 
1 1 1 -35 10 17 o 59.09706 26.51402 -0.3792437     190.6275 73.85455       255.4664 -93.64251      286.3441 70.43398 31.20277 64.21062 30.11503 6.223351       43.36505 
1 1 1 -35 10 18 o 79.48891 30.29924 226.3787       195.9529 111.9724       259.3916 378.4542       299.0615 72.89931 31.89754 94.14057 37.00393 -21.24126      48.85432 
1 1 1 -35 10 19 o 187.9928 19.45450 1166.156       211.3964 1364.812       295.0579 956.6349       303.0204 194.8216 26.51094 152.8688 34.60729 41.95279       43.59466 
1 1 1 -35 10 20 o 92.13209 29.09915 328.9481       175.8920 309.6868       229.2857 356.4931       274.1923 87.87180 32.93513 91.73046 35.61201 -3.858665      48.50710 
1 1 1 -35 10 21 o 98.58813 28.43707 376.1837       173.4685 297.6967       226.7982 486.8258       269.2781 86.08095 32.64748 103.8428 36.11309 -17.76189      48.68278 
1 1 1 -35 10 22 o 71.73576 27.58830 176.6192       163.4225 -39.92630      208.8013 519.0054       262.5529 57.68438 26.59311 107.1359 35.68687 -49.45150      44.50557 
1 1 1 -35 10 23 o 55.36001 24.60002 14.71661       160.0011 122.7534       213.6650 -123.2109      241.4199 69.07164 29.58140 56.91208 26.98179 12.15956       40.03843 
1 1 1 -35 10 24 o 44.84188 21.52864 -160.5692      164.1531 -231.6340      222.8576 -76.28244      242.7055 50.09868 24.30383 59.09131 27.71770 -8.992634      36.86390 
1 1 1 -35 10 25 o 68.62682 27.41461 154.3111       166.6472 370.8566       224.6180 -110.8226      248.5435 92.15438 32.90173 57.73664 27.37396 34.41774       42.80021 
1 1 1 -35 11 1  o 82.72209 33.37170 202.1535       249.5098 389.7234       291.8202 -307.6819      481.1148 100.7618 37.27389 75.85754 36.53128 24.90424       52.19077 
1 1 1 -35 11 2  o 67.07187 30.10928 -5.987897      246.2208 -41.30113      289.2556 86.91440       469.1657 69.55775 31.78115 88.35131 40.40867 -18.79356      51.40916 
1 1 1 -35 11 3  o 169.2148 32.18499 1048.240       307.7368 1048.240       307.7368 0.000000       0.000000 169.2148 32.18499 ?        ?        0.000000       32.18499 
1 1 1 -35 11 4  o 99.52814 32.31051 369.6371       215.7536 422.9703       302.4282 314.3605       307.8885 103.4141 37.99925 94.02791 37.36130 9.386147       53.28987 
1 1 1 -35 11 5  o 189.9650 19.71601 1160.903       216.4654 668.5392       291.5894 1765.371       323.0840 129.3678 36.72720 229.5043 24.37586 -100.1364      44.08026 
1 1 1 -35 11 6  o 54.56939 25.21222 -86.79665      189.1668 -190.3953      251.2947 48.67532       287.3631 57.82385 27.44721 73.98725 32.91716 -16.16340      42.85894 
1 1 1 -35 11 7  o 168.3152 21.17313 927.7521       204.3920 1097.453       272.1255 708.1022       309.5938 177.8716 26.92777 131.3170 38.02412 46.55467       46.59333 
1 1 1 -35 11 8  o 140.9743 45.44059 937.8419       427.1996 0.000000       0.000000 937.8419       427.1996 ?        ?        140.9743 45.44059 0.000000       45.44059 
1 1 1 -35 11 9  o 73.81886 29.22291 157.5967       187.7062 186.6976       236.5600 108.1282       308.4266 79.63307 32.36009 78.58723 34.57177 1.045837       47.35380 
1 1 1 -35 11 10 o 64.89973 27.83680 61.72332       189.7355 109.4529       245.5189 -9.044510      298.9573 73.86903 31.67440 71.12468 32.42527 2.744354       45.32842 
1 1 1 -35 11 11 o 66.06698 27.73887 86.81512       181.6861 28.09797       231.3824 181.2347       293.4127 66.64624 29.60085 81.82478 34.84317 -15.17854      45.71932 
1 1 1 -35 11 12 o 155.2322 24.01516 823.5811       211.5821 595.4990       288.4346 1089.290       311.3185 118.8368 37.22628 169.6207 32.47741 -50.78386      49.40220 
1 1 1 -35 11 13 o 115.1439 28.94779 491.6449       195.2449 491.4014       252.0368 492.0104       308.7522 109.6768 34.85666 106.4210 38.50209 3.255844       51.93648 
1 1 1 -35 11 14 o 154.0218 22.36067 801.1223       196.0865 778.3230       249.2530 838.1468       317.6315 144.0201 30.46263 140.6124 37.73387 3.407639       48.49553 
1 1 1 -35 11 15 o 48.82494 23.35600 -178.8737      189.3656 -199.2817      249.0164 -150.8882      291.6049 55.98929 26.78315 62.66222 29.69206 -6.672932      39.98695 
1 1 1 -35 11 16 o 107.6226 30.34623 448.5323       199.7623 592.8504       267.4553 266.4429       300.4230 118.3501 35.62592 86.06390 35.86837 32.28622       50.55439 
1 1 1 -35 11 17 o 58.49394 26.45949 -13.95399      194.3412 -15.55615      254.5206 -11.71385      300.9594 64.86250 29.70222 69.08532 31.87693 -4.222816      43.57018 
1 1 1 -35 11 18 o 126.8026 27.06584 589.7827       195.1498 707.0453       264.4711 449.6209       289.1433 131.1397 34.07980 100.5177 37.11708 30.62204       50.38959 
1 1 1 -35 11 19 f 149.6513 23.18102 776.6018       196.8789 409.8468       264.5405 1231.942       294.7625 97.26453 35.57204 182.3060 28.50164 -85.04143      45.58194 
1 1 1 -35 11 20 o 49.56994 23.48580 -129.8395      182.3459 -140.0056      237.9211 -115.3671      283.8741 56.28312 26.71326 62.11375 29.39180 -5.830627      39.71746 
1 1 1 -35 11 21 o 66.56679 26.44210 134.9728       154.1772 108.9200       189.3300 186.2588       265.6389 66.52974 28.14527 76.98196 32.97667 -10.45222      43.35455 
1 1 1 -35 11 22 o 64.07030 26.11390 113.6835       154.5998 32.80564       198.3811 238.7695       246.7116 61.16074 27.27145 80.11127 32.85938 -18.95053      42.70211 
1 1 1 -35 11 23 o 73.56761 27.59808 194.3334       161.0710 162.6447       212.2326 237.3793       247.3581 72.22976 30.12859 79.74187 32.82591 -7.512108      44.55640 
1 1 1 -35 11 24 o 135.8603 22.91665 652.2599       176.1074 772.9467       239.0569 509.0400       260.4192 139.8771 30.03818 105.0106 35.54690 34.86649       46.53896 
1 1 1 -35 12 1  o 130.3702 33.11142 642.4056       253.6079 778.1788       299.5918 299.1225       476.3751 140.8701 36.10088 97.56310 42.94087 43.30700       56.09984 
1 1 1 -35 12 2  o 64.61121 29.15745 -21.01893      234.3602 -21.80676      272.3922 -18.77373      459.8391 68.66853 31.16677 83.25565 38.75513 -14.58712      49.73257 
1 1 1 -35 12 3  o 198.0149 26.32585 1344.731       298.1573 1344.731       298.1573 0.000000       0.000000 198.0149 26.32585 ?        ?        0.000000       26.32585 
1 1 1 -35 12 4  o 366.4803 15.69332 4170.282       336.5187 3445.245       396.1267 6050.381       637.8880 326.2538 20.81124 422.0588 25.89504 -95.80499      33.22140 
1 1 1 -35 12 5  o 235.6523 16.92406 1745.145       232.3406 1015.553       304.4826 2762.122       359.4827 165.3139 32.56428 291.3779 21.18101 -126.0640      38.84672 
1 1 1 -35 12 6  o 164.4521 22.14226 895.4664       208.1348 916.6473       283.9110 870.8573       306.0255 157.3877 31.85281 149.3383 35.47072 8.049393       47.67361 
1 1 1 -35 12 7  o 96.71507 30.63330 347.3441       194.8035 481.0164       250.5731 143.1189       309.7194 110.3242 34.71653 80.93999 35.14312 29.38422       49.39915 
1 1 1 -35 12 8  o 150.5274 23.38707 763.6600       199.7637 863.9032       262.9746 626.8995       307.1613 153.9583 30.20401 121.9974 38.44366 31.96088       48.88965 
1 1 1 -35 12 9  o 69.15537 28.80998 106.6727       193.7061 -95.25611      258.5972 364.8214       292.3881 62.64518 29.12781 96.50144 36.95544 -33.85627      47.05458 
1 1 1 -35 12 10 o 96.95092 40.81355 367.7256       394.9615 0.000000       0.000000 367.7256       394.9615 ?        ?        96.95092 40.81355 0.000000       40.81355 
1 1 1 -35 12 11 o 56.23788 25.42019 -29.15615      178.9830 6.347573       230.9921 -82.49717      283.1332 64.94984 29.15945 65.46951 30.45367 -0.5196686     42.16278 
1 1 1 -35 12 12 o 58.07421 25.99120 -7.258178      181.9646 145.6922       237.8322 -223.1939      282.5905 75.26387 31.67674 59.24156 28.39044 16.02231       42.53743 
1 1 1 -35 12 13 o 68.26427 28.69798 103.9077       194.8546 -14.83719      270.4093 232.1631       281.0295 67.21371 30.71706 83.86043 34.79901 -16.64671      46.41669 
1 1 1 -35 12 14 o 64.36243 27.62714 69.06651       187.1507 376.6760       238.8048 -420.6147      301.3005 96.63205 33.97986 54.54223 26.83609 42.08982       43.29904 
1 1 1 -35 12 15 o 217.8736 16.69173 1511.854       211.6590 1637.042       276.8624 1335.784       328.3399 220.9972 21.63825 188.3073 30.79413 32.68988       37.63632 
1 1 1 -35 12 16 o 48.34499 23.23873 -194.6360      192.5992 -364.0257      249.8690 53.32738       302.3170 49.86884 24.51728 72.55067 32.89122 -22.68184      41.02353 
1 1 1 -35 12 17 o 150.7977 23.30823 786.4174       199.4957 824.4897       271.1779 741.5071       294.5252 144.0041 32.83959 130.8150 36.83427 13.18907       49.34777 
1 1 1 -35 12 18 o 52.04197 24.35627 -97.02249      185.6355 36.15769       239.4070 -297.8288      293.9718 66.16853 29.69787 56.76859 27.62512 9.399940       40.55997 
1 1 1 -35 12 19 o 123.4073 26.03725 555.4126       182.5112 342.6023       240.4152 844.8785       280.3913 90.85558 33.79035 143.4770 33.86947 -52.62142      47.84275 
1 1 1 -35 12 20 o 182.0183 18.20955 1086.182       191.7790 1309.810       260.4606 821.3817       283.4252 193.6977 23.40185 139.3816 34.78507 54.31616       41.92430 
1 1 1 -35 12 21 o 59.85305 26.11458 49.76088       172.7889 201.7326       228.3707 -153.7299      264.2599 76.60129 31.53779 58.18367 27.76648 18.41762       42.01916 
1 1 1 -35 12 22 o 111.3518 25.43180 456.9482       162.4284 684.7660       200.0364 16.02234       278.2903 136.5934 25.91848 67.02522 30.82732 69.56821       40.27520 
1 1 1 -35 12 23 o 41.14386 20.13961 -238.9274      162.9629 -218.7196      201.5302 -277.1035      276.9968 47.79829 23.16991 54.69011 26.65874 -6.891819      35.32043 
1 1 1 -35 12 24 o 109.7094 26.26388 455.4239       166.7407 453.4829       207.6054 458.9515       279.8785 103.7083 31.42449 97.75622 36.43856 5.952034       48.11723 
1 1 1 -35 13 1  o 71.84751 30.80660 90.10598       232.2361 396.7134       271.2984 -750.6224      449.2455 100.8196 36.14040 62.39714 31.06175 38.42244       47.65459 
1 1 1 -35 13 2  o 82.72837 32.37279 220.7329       228.0205 298.3940       264.5807 -3.473025      449.5520 91.19963 35.09564 82.83298 38.47706 8.366653       52.07867 
1 1 1 -35 13 3  o 147.8763 24.58359 743.7844       205.7209 841.0701       266.3333 599.8868       323.9124 151.5291 31.01500 118.7450 39.64015 32.78401       50.33162 
1 1 1 -35 13 4  o 115.4794 30.09509 491.7080       205.8540 182.0318       259.2899 1019.675       338.5595 80.78703 33.46606 160.5767 36.74720 -79.78967      49.70245 
1 1 1 -35 13 5  o 109.6037 30.81355 449.2889       206.2791 271.3509       271.3060 693.0897       317.5722 88.57510 35.11112 128.3686 38.85954 -39.79353      52.37227 
1 1 1 -35 13 6  o 77.84344 30.71374 185.9670       206.7177 190.3012       278.1120 180.6164       309.0090 82.15228 34.39430 83.12266 35.58618 -0.9703827     49.49084 
1 1 1 -35 13 7  o 56.77634 25.75386 -38.78098      185.6541 44.37823       232.0849 -186.5583      309.3824 67.98037 29.94442 64.06518 30.42275 3.915192       42.68738 
1 1 1 -35 13 8  o 153.5926 21.94022 785.9594       192.0245 846.1506       249.4280 698.3754       300.8784 153.2024 28.81804 129.5021 37.48107 23.70036       47.27906 
1 1 1 -35 13 9  o 57.23119 25.59492 -10.73137      176.1080 30.53714       222.1174 -80.58697      288.9840 65.71622 29.10476 66.25583 30.80154 -0.5396118     42.37714 
1 1 1 -35 13 10 o 114.6598 29.20089 487.9756       196.8652 743.6400       263.3203 163.9740       296.4305 138.6976 32.87616 80.32543 34.62770 58.37222       47.74850 
1 1 1 -35 13 11 o 110.2849 29.24795 454.7247       192.2403 609.5194       259.2982 265.7949       286.4651 122.8163 34.55407 86.92172 35.50187 35.89462       49.54156 
1 1 1 -35 13 12 o 80.34823 36.28675 110.2072       363.7823 0.000000       0.000000 110.2072       363.7823 ?        ?        80.34823 36.28675 0.000000       36.28675 
1 1 1 -35 13 13 o 57.06413 25.78752 -21.54098      184.0641 -27.04606      235.4165 -12.88273      295.2364 62.83128 28.69389 69.26318 31.81829 -6.431900      42.84557 
1 1 1 -35 13 14 o 126.7751 26.66102 580.8713       191.9300 776.8352       251.1894 305.9659       297.5123 142.6231 30.92333 89.08839 36.25769 53.53470       47.65367 
1 1 1 -35 13 15 o 72.80156 28.83400 166.8212       182.8247 182.8624       231.7356 140.3781       297.5299 76.83621 31.71544 77.26757 33.97465 -0.4313583     46.47737 
1 1 1 -35 13 16 o 53.95521 24.91082 -63.53115      184.1973 -12.83576      232.1181 -149.7472      302.7045 62.74411 28.59186 63.14763 30.01734 -0.4035263     41.45522 
1 1 1 -35 13 17 o 68.78893 28.52817 126.0004       188.7163 311.5068       247.2868 -132.7070      292.0290 88.29491 33.94184 62.63475 29.68919 25.66016       45.09431 
1 1 1 -35 13 18 o 176.9111 19.46258 1036.744       198.6007 1072.817       278.4167 999.3732       283.3766 168.9297 29.15544 160.3164 31.26284 8.613281       42.74816 
1 1 1 -35 13 19 o 199.4059 33.56604 1603.296       378.6163 0.000000       0.000000 1603.296       378.6163 ?        ?        199.4059 33.56604 0.000000       33.56604 
1 1 1 -35 13 20 o 78.54502 29.31810 230.6181       181.3071 259.9593       238.0860 190.1140       279.7335 82.07882 32.77480 77.72808 33.57383 4.350739       46.91897 
1 1 1 -35 13 21 o 58.14875 25.94213 19.10256       179.7601 118.8607       233.1516 -127.1171      282.2716 70.14664 30.47373 60.91427 28.96452 9.232372       42.04274 
1 1 1 -35 13 22 o 43.78530 21.23129 -202.7911      169.5612 -227.3630      204.4917 -148.7215      303.3425 47.91253 23.25205 61.78883 29.55831 -13.87630      37.60787 
1 1 1 -35 13 23 o 158.9774 19.42959 850.4623       177.3947 840.7872       225.3283 866.2344       287.6954 150.3087 26.53082 141.1830 34.93728 9.125763       43.86910 
1 1 1 -35 14 1  o 67.07020 29.86230 20.17333       236.9585 125.2172       276.0339 -274.0663      461.9846 77.48074 33.40836 74.25403 35.76881 3.226715       48.94411 
1 1 1 -35 14 2  o 86.91534 32.79648 267.0587       228.1940 191.7770       261.0915 510.6002       469.6071 81.38967 33.63638 106.9031 44.72061 -25.51347      55.95837 
1 1 1 -35 14 3  o 68.77673 28.98723 94.75515       199.6077 328.7806       259.0426 -247.2988      313.1749 93.36964 35.00477 62.27836 29.85677 31.09129       46.00827 
1 1 1 -35 14 4  o 91.73160 30.86842 311.4951       196.3792 277.8605       245.6118 371.1042       326.9729 88.15548 33.84247 97.24106 38.54559 -9.085579      51.29400 
1 1 1 -35 14 5  o 157.6183 21.48864 822.2534       193.4722 853.9528       246.6394 771.5449       311.9449 154.6683 28.22996 136.5204 37.71323 18.14795       47.10858 
1 1 1 -35 14 6  o 66.89671 28.44267 80.84293       194.9962 -86.50813      246.8918 358.3268       317.9152 61.64624 28.59389 95.75544 37.99152 -34.10920      47.54962 
1 1 1 -35 14 7  o 52.38446 24.36173 -95.00891      181.0331 -171.8646      227.9445 36.27555       297.9187 55.04912 26.13326 73.03818 32.92510 -17.98906      42.03581 
1 1 1 -35 14 8  o 146.4386 24.81812 741.0424       205.5410 1041.317       284.8259 414.7526       296.9081 168.6857 29.88436 100.1252 37.48865 68.56055       47.94240 
1 1 1 -35 14 9  o 87.05817 29.77793 279.1045       182.8145 151.7305       236.4702 468.3288       288.2203 75.72660 31.71030 105.1529 37.29842 -29.42630      48.95626 
1 1 1 -35 14 10 o 108.7399 28.62588 438.8206       185.0218 509.9492       234.4076 321.2689       301.3449 113.2458 33.17133 91.50624 36.75891 21.73952       49.51318 
1 1 1 -35 14 11 o 58.70684 25.87559 17.77314       173.5502 -8.416248      216.6847 64.63552       289.8530 62.04790 28.01523 73.20383 32.78000 -11.15593      43.12055 
1 1 1 -35 14 12 o 106.9205 29.67568 435.3875       192.6465 551.5150       254.2826 278.9348       295.1486 115.4985 34.73081 87.34028 35.89516 28.15824       49.94689 
1 1 1 -35 14 13 o 55.88005 25.24410 -20.91112      176.2177 48.72014       222.0048 -139.4974      289.7194 66.00171 29.17065 62.68039 29.66970 3.321320       41.60791 
1 1 1 -35 14 14 o 79.86874 36.32182 116.1646       372.2143 0.000000       0.000000 116.1646       372.2143 ?        ?        79.86874 36.32182 0.000000       36.32182 
1 1 1 -35 14 15 o 169.9278 20.44333 962.1688       199.6482 1226.317       262.6335 600.5663       307.2857 187.4376 24.47557 114.4107 38.61366 73.02691       45.71727 
1 1 1 -35 14 16 o 77.75082 29.06991 215.6805       178.3993 293.7898       224.3502 81.35445       294.2084 86.70092 32.56145 73.14294 32.86737 13.55798       46.26567 
1 1 1 -35 14 17 o 184.8495 19.44637 1130.538       207.6637 1023.831       246.8187 1389.129       384.2262 169.1254 25.69090 180.1068 37.59181 -10.98146      45.53204 
1 1 1 -35 14 18 o 132.9814 25.62993 640.5208       192.6416 592.6926       260.4378 698.3043       286.2623 116.7113 35.16051 125.2814 36.64624 -8.570068      50.78591 
1 1 1 -35 14 19 o 112.7386 27.91037 484.7281       183.5474 541.3623       233.9558 394.0687       296.0062 113.3767 33.11982 93.39643 36.78304 19.98029       49.49661 
1 1 1 -35 14 20 o 49.62414 23.62240 -142.0324      188.8089 -106.8496      241.4069 -197.4594      303.0015 57.79757 27.27549 60.22654 29.00050 -2.428967      39.81183 
1 1 1 -35 14 21 o 65.68520 28.27672 95.13815       197.1330 214.2012       260.1801 -65.34029      302.0605 78.35831 33.06371 65.09103 30.65373 13.26727       45.08725 
1 1 1 -35 14 22 o 56.83829 25.55167 7.789407       178.0255 150.0456       224.0488 -235.8522      293.2127 71.49001 30.44501 57.55630 27.91127 13.93371       41.30300 
1 1 1 -35 15 1  o 121.1299 32.84828 566.9833       239.1893 810.2943       281.3430 -67.41396      454.2929 144.9068 33.73803 79.75184 37.56876 65.15493       50.49422 
1 1 1 -35 15 2  o 106.5913 34.08140 449.7252       240.6586 288.2006       281.6884 886.2242       463.0641 89.64486 35.69821 131.4634 47.20508 -41.81858      59.18346 
1 1 1 -35 15 3  o 122.0863 27.83459 537.0974       194.8573 648.3266       248.7582 360.4733       313.4678 129.8682 32.68905 95.90498 37.82734 33.96323       49.99482 
1 1 1 -35 15 4  o 102.1908 30.45371 393.9040       196.1769 434.9450       249.7037 327.7246       317.0865 104.1250 34.80528 93.19186 37.61151 10.93314       51.24483 
1 1 1 -35 15 5  o 221.5638 16.09459 1542.799       207.7102 1528.110       269.2465 1564.392       326.4397 214.8477 21.66377 211.0984 26.98353 3.749359       34.60390 
1 1 1 -35 15 6  o 191.5957 19.31619 1190.312       214.0891 1120.758       283.0923 1283.236       327.2129 176.9216 28.23154 186.0737 31.07982 -9.152069      41.98780 
1 1 1 -35 15 7  o 86.65456 30.55335 276.1716       193.1663 238.5198       253.9595 327.8564       297.5455 83.91624 33.73300 92.36199 36.71896 -8.445755      49.86178 
1 1 1 -35 15 8  o 99.42948 29.26537 370.6504       182.0790 317.3765       235.5253 449.7823       287.0489 90.97009 33.51550 103.2120 37.15286 -12.24189      50.03622 
1 1 1 -35 15 9  o 112.4129 28.95847 471.2833       192.0869 485.4378       245.1327 448.7648       309.1890 109.1448 34.33650 102.0031 38.24281 7.141701       51.39560 
1 1 1 -35 15 10 o 75.30996 30.13096 176.1891       201.6240 339.1957       263.8428 -52.62330      312.5953 92.37527 35.17102 68.89325 32.03019 23.48203       47.57030 
1 1 1 -35 15 11 o 64.57486 27.38188 81.44987       179.8965 50.53196       219.5304 144.6548       313.8811 66.02944 29.10266 78.93585 34.79482 -12.90641      45.36126 
1 1 1 -35 15 12 o 134.7013 25.03781 640.0311       190.5177 773.6146       239.1501 407.9898       315.1932 144.0345 29.30918 97.11781 38.04417 46.91670       48.02486 
1 1 1 -35 15 13 o 64.61209 27.74969 74.32772       189.0111 -30.89228      253.7605 205.4444       283.2720 64.09480 29.46410 80.92493 34.33933 -16.83013      45.24736 
1 1 1 -35 15 14 f 126.5865 26.90036 584.7544       193.5444 597.5800       257.5080 568.1019       293.4213 119.4259 34.70704 112.3538 37.73168 7.072113       51.26654 
1 1 1 -35 15 15 o 69.10854 28.67406 127.2949       190.7758 219.1905       257.3260 15.14097       284.2782 80.44663 33.33334 68.85769 31.47845 11.58894       45.84762 
1 1 1 -35 15 16 o 92.15824 32.67230 347.3014       221.1335 319.0804       287.4310 388.2310       346.1520 88.47607 35.77328 93.44421 38.68452 -4.968140      52.68985 
1 1 1 -35 15 17 o 109.9058 27.74336 457.6441       178.8161 401.1672       226.5531 550.9648       291.2219 97.62327 33.15406 108.8928 37.57186 -11.26956      50.10825 
1 1 1 -35 15 18 o 67.70848 27.95759 128.4446       180.1588 5.463893       217.8925 394.1989       320.3051 61.56527 27.91593 93.01463 37.70732 -31.44936      46.91632 
1 1 1 -35 15 19 f 111.3964 30.44103 497.6111       204.4962 159.7016       255.1864 1104.053       341.8629 74.47308 32.11683 158.0917 37.45086 -83.61860      49.33617 
1 1 1 -35 15 20 o 55.27883 25.62164 -57.44257      197.6833 -100.6998      250.2826 14.29946       322.3207 58.94348 27.80289 70.08634 32.56437 -11.14286      42.81868 
1 1 1 -35 15 21 f 97.20860 30.57136 388.5399       194.3359 482.0606       262.5802 275.2709       288.9772 102.2154 35.65401 83.04373 34.93204 19.17171       49.91449 
1 1 1 -35 16 1  o 81.71069 32.18628 221.4161       226.6799 352.4119       261.8925 -169.8371      452.6090 94.96506 35.27717 75.87646 36.24519 19.08860       50.57858 
1 1 1 -35 16 2  o 110.8136 31.35594 469.8308       212.8929 526.8761       280.8796 392.8131       326.3668 112.1778 36.89433 98.11874 38.62934 14.05908       53.41739 
1 1 1 -35 16 3  o 154.8620 23.40372 813.9843       205.9344 718.1191       266.5957 955.8176       324.2737 135.4320 33.70041 153.6859 36.51928 -18.25388      49.69281 
1 1 1 -35 16 4  o 64.98073 28.36550 48.75797       204.0708 153.0117       264.4284 -104.7785      320.8989 77.71468 33.08470 67.97161 31.87940 9.743073       45.94446 
1 1 1 -35 16 5  o 196.4165 18.99734 1248.638       216.1088 733.3574       282.0386 1981.375       336.3265 134.7022 35.28644 241.1850 24.09952 -106.4829      42.73078 
1 1 1 -35 16 6  o 131.0397 25.86088 606.4277       191.6854 598.8646       238.3017 620.2916       322.6410 123.9692 32.41597 117.7290 39.56606 6.240135       51.14946 
1 1 1 -35 16 7  f 215.1043 16.42082 1464.312       205.5887 1476.047       263.2975 1445.982       329.0723 210.4687 21.63880 199.4380 28.98172 11.03070       36.16874 
1 1 1 -35 16 8  o 188.4582 19.07671 1155.695       207.9470 1267.379       283.6558 1025.936       305.7483 189.6476 26.20252 162.4293 33.21741 27.21829       42.30802 
1 1 1 -35 16 9  o 62.30157 27.36651 36.88820       192.6011 223.3966       248.6285 -242.9780      304.5628 81.55309 33.16232 60.40904 29.08502 21.14405       44.10984 
1 1 1 -35 16 10 o 92.13120 30.19364 325.5233       188.1868 340.9623       234.4936 297.5886       315.4220 92.51537 33.54247 88.86680 36.87086 3.648575       49.84534 
1 1 1 -35 16 11 o 38.67264 19.31315 -406.0609      179.6738 -603.4432      219.0757 -0.4962751     314.0292 39.57798 19.97304 70.97054 32.68009 -31.39256      38.30027 
1 1 1 -35 16 12 o 204.1818 17.27828 1338.224       204.9631 1431.686       263.8188 1195.916       325.5380 205.6369 22.22819 174.8541 32.95341 30.78273       39.74946 
1 1 1 -35 16 13 o 142.5003 23.15610 701.2953       186.8850 763.7556       237.5835 599.9245       302.6708 142.4977 29.40450 114.7566 38.31855 27.74107       48.30048 
1 1 1 -35 16 14 o 73.78685 28.61220 181.9858       176.8375 213.7256       232.2275 138.1804       272.8199 79.03834 32.08303 75.20576 32.81371 3.832573       45.89183 
1 1 1 -35 16 15 o 48.20509 22.95200 -147.0801      178.4460 -73.37254      236.5979 -244.3251      271.7620 59.49451 27.72951 56.05860 27.10965 3.435909       38.77961 
1 1 1 -35 16 16 o 56.45018 25.83605 -33.00198      192.2285 -137.7158      256.3040 101.6317       290.6233 58.37675 27.71248 73.27797 32.81759 -14.90121      42.95319 
1 1 1 -35 16 17 o 178.8739 25.14213 1144.684       256.4843 1096.788       376.0742 1186.335       350.7008 151.2844 41.25684 165.4666 37.06152 -14.18213      55.45884 
1 1 1 -35 16 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 16 19 o 126.7177 29.51695 626.5986       215.2652 485.0668       272.5571 861.2628       350.9570 102.5171 36.27967 131.0957 41.06274 -28.57860      54.79383 
1 1 1 -35 16 20 f 66.23837 27.89792 114.8728       184.6815 121.3151       232.0761 103.7484       304.9632 69.94627 30.39487 73.04440 33.08304 -3.098122      44.92590 
1 1 1 -35 17 1  o 88.61366 33.14758 294.2562       232.0159 164.4737       263.7505 738.3146       487.8715 78.32207 33.18061 117.2650 46.88578 -38.94290      57.43892 
1 1 1 -35 17 2  o 58.06526 26.22968 -22.51005      190.2121 17.99143       230.2464 -109.5646      337.5616 65.39620 29.25475 68.98692 32.46259 -3.590721      43.69966 
1 1 1 -35 17 3  o 163.8591 22.15915 901.9040       207.4955 962.8190       259.9706 794.9890       344.4146 163.4218 28.13980 132.9135 40.51650 30.50826       49.32986 
1 1 1 -35 17 4  o 200.3348 19.59653 1309.505       227.3016 1424.338       303.0427 1161.805       343.6857 201.3117 26.29548 170.4916 35.52636 30.82011       44.19926 
1 1 1 -35 17 5  f 126.8088 28.55697 592.3613       207.2547 348.9496       271.6171 931.5948       320.6533 93.43735 35.65887 150.1362 36.72466 -56.69887      51.18843 
1 1 1 -35 17 6  f 134.8111 26.12610 646.2701       199.1022 572.0461       250.4193 773.8211       328.2747 118.6568 34.14915 131.9335 39.41299 -13.27666      52.14929 
1 1 1 -35 17 7  o 77.49890 30.32133 199.4714       200.0091 7.027849       259.2310 482.5326       314.3948 67.14047 30.44598 104.2080 38.66291 -37.06757      49.21157 
1 1 1 -35 17 8  o 58.82553 26.03972 15.21445       177.5773 -63.51765      221.2600 157.7165       297.6717 59.06006 27.27997 78.90341 34.35366 -19.84335      43.86765 
1 1 1 -35 17 9  o 66.26061 27.82014 98.02541       182.7519 163.3914       225.1709 -28.13929      312.8277 75.12974 31.16029 69.67944 32.27359 5.450294       44.86143 
1 1 1 -35 17 10 o 171.2663 21.67315 987.9717       212.8263 1093.047       281.0934 846.8209       325.7933 172.2817 28.83863 138.6205 38.63551 33.66121       48.21171 
1 1 1 -35 17 11 o 70.69610 28.42297 148.2490       180.3279 376.6628       222.6363 -287.4192      307.4770 96.42479 32.86428 58.81292 28.53506 37.61187       43.52367 
1 1 1 -35 17 12 o 66.79205 27.61202 114.0934       176.0158 173.7297       217.9350 2.211719       298.5047 75.07592 30.84858 69.41979 31.92818 5.656128       44.39644 
1 1 1 -35 17 13 o 49.23326 23.34155 -135.2189      180.6814 -306.8712      230.3183 139.4630       291.3524 49.01045 23.98019 76.18420 33.55470 -27.17376      41.24279 
1 1 1 -35 17 14 o 66.37863 27.27479 118.4728       170.3638 164.9690       213.9868 37.98525       281.5417 73.55357 30.42968 69.40051 31.57224 4.153061       43.84941 
1 1 1 -35 17 15 o 68.83546 28.66729 129.8767       191.7007 358.1237       246.0332 -222.8050      305.8318 91.96823 34.18695 60.02346 28.96098 31.94477       44.80498 
1 1 1 -35 17 16 f 91.15941 30.92463 335.4520       197.1034 387.0334       247.1869 245.3945       326.6171 94.63195 34.41972 83.03996 36.07170 11.59199       49.85865 
1 1 1 -35 17 17 o 156.2939 27.73510 911.5479       244.9171 1124.390       345.2655 695.9720       347.4753 159.8051 37.49014 116.4155 40.98421 43.38953       55.54472 
1 1 1 -35 17 18 o 86.30814 33.77206 308.2960       248.1489 269.9226       363.1186 341.9193       339.9019 84.59274 37.35068 88.64072 37.61454 -4.047981      53.00874 
1 1 1 -35 17 19 o 75.92947 31.20912 201.5829       223.1497 515.9172       312.6781 -124.7026      318.5668 101.8965 38.40345 63.83867 30.47101 38.05786       49.02354 
1 1 1 -35 18 1  o 61.56923 27.67902 -3.244915      208.9151 5.750140       263.0387 -18.61432      343.8320 67.72141 30.69324 73.14526 33.86359 -5.423851      45.70358 
1 1 1 -35 18 2  f 127.8874 28.33887 599.6680       206.9562 688.5273       251.6533 413.9995       363.7644 132.9459 32.54310 98.30428 40.06071 34.64159       51.61312 
1 1 1 -35 18 3  o 71.43822 30.14330 121.3944       216.2432 300.3958       276.7467 -159.2281      346.5098 89.12348 35.41857 67.52655 32.10375 21.59693       47.80299 
1 1 1 -35 18 4  o 164.4041 23.75494 927.6398       222.4097 850.4518       284.3890 1049.195       356.8828 146.6991 33.75656 156.2105 39.06104 -9.511429      51.62626 
1 1 1 -35 18 5  o 97.66359 30.64030 368.4417       195.3294 114.2367       241.4436 849.9780       332.3060 72.58933 31.27173 139.1097 39.10989 -66.52038      50.07499 
1 1 1 -35 18 6  o 131.0019 28.56410 634.1726       213.2558 343.3127       273.5123 1085.155       340.5766 92.42197 35.65234 162.1048 36.68272 -69.68285      51.15380 
1 1 1 -35 18 7  o 56.02449 25.88469 -67.66901      199.3975 4.478012       256.3183 -178.2531      317.3340 66.53030 30.21086 63.85831 30.46145 2.671997       42.90217 
1 1 1 -35 18 8  o 61.43545 26.99219 35.60310       187.4655 261.3433       234.1338 -367.6055      312.9137 84.22965 32.84917 57.04398 27.91940 27.18568       43.11103 
1 1 1 -35 18 9  o 54.73691 25.44541 -82.09460      197.1845 9.471752       256.3338 -214.8149      308.6076 66.55462 30.21791 61.44664 29.50529 5.107975       42.23368 
1 1 1 -35 18 10 o 56.38295 25.37109 -10.22864      175.9883 210.9736       218.4309 -419.4857      297.1101 78.57449 31.38701 53.65437 26.44738 24.92012       41.04398 
1 1 1 -35 18 11 o 91.36999 29.37401 322.3981       178.5923 487.1481       224.5926 39.07194       294.5275 109.2154 32.59379 70.82178 32.24731 38.39361       45.85024 
1 1 1 -35 18 12 o 166.2524 20.58378 927.4524       196.4151 679.6080       258.3290 1267.057       302.3922 128.1503 33.86689 184.2175 28.94237 -56.06726      44.54915 
1 1 1 -35 18 13 o 153.0420 21.23351 795.2391       185.4552 897.6013       231.5569 612.1125       309.7161 157.7665 25.92582 113.6109 38.76132 44.15556       46.63248 
1 1 1 -35 18 14 o 66.53448 28.33529 101.5421       194.0810 323.3888       245.5709 -267.5946      316.7701 88.55837 33.87921 59.56953 28.91634 28.98884       44.54162 
1 1 1 -35 18 15 o 59.09914 26.18251 28.01833       179.8943 -96.84921      216.1619 309.3434       324.4581 55.64059 26.11783 87.08745 36.84355 -31.44686      45.16180 
1 1 1 -35 18 16 o 84.98587 30.72165 285.7304       196.5246 319.9422       251.8891 232.5075       314.1745 87.69863 34.10884 81.72217 35.43937 5.976463       49.18701 
1 1 1 -35 18 17 o 56.13995 25.44669 -11.46261      180.8527 29.53909       227.6663 -81.58679      297.7362 63.76500 28.76023 64.20179 30.29569 -0.4367943     41.77295 
1 1 1 -35 18 18 o 59.21040 27.33403 -32.54760      221.6852 -491.6996      313.5224 426.5324       313.4979 52.43301 26.07635 94.32965 37.62812 -41.89664      45.78047 
1 1 1 -35 19 1  f 56.92611 26.33541 -72.73702      207.3869 73.48531       256.4636 -348.9999      352.5171 70.99220 31.36566 61.73713 30.08944 9.255066       43.46469 
1 1 1 -35 19 2  o 96.92203 31.33496 366.3178       203.0455 388.6294       242.9975 314.6997       369.6045 97.72256 34.28367 91.30417 38.99974 6.418388       51.92639 
1 1 1 -35 19 3  o 118.9933 32.19639 558.1939       230.0976 765.2177       298.6057 255.5792       361.0215 134.5382 36.79256 87.44016 37.95397 47.09801       52.86016 
1 1 1 -35 19 4  o 208.4440 19.53464 1422.581       236.0236 1319.127       308.2706 1569.137       366.9111 190.2454 28.50591 202.9689 31.87250 -12.72354      42.76030 
1 1 1 -35 19 5  o 95.56263 30.95415 356.4412       198.0833 370.9558       248.5017 331.1476       328.0429 95.20005 34.52783 91.26375 37.70882 3.936302       51.12852 
1 1 1 -35 19 6  o 88.55822 31.66768 303.6793       208.1678 202.8870       265.0733 465.8668       336.2491 80.06427 33.55319 101.1101 39.38506 -21.04585      51.73973 
1 1 1 -35 19 7  o 118.1078 28.71535 524.9387       196.9482 601.2869       245.8633 388.2158       329.0143 121.5262 33.44622 94.88505 38.30615 26.64117       50.85283 
1 1 1 -35 19 8  o 47.04407 22.80018 -231.3240      194.9214 -206.1910      256.8175 -265.4756      299.3702 56.15506 26.95171 58.58362 28.36025 -2.428562      39.12414 
1 1 1 -35 19 9  o 88.54420 30.47962 305.0222       191.6151 252.7747       250.8355 378.2353       296.9275 83.00802 33.46973 93.80672 36.87198 -10.79870      49.79725 
1 1 1 -35 19 10 f 89.36388 29.26752 308.3231       176.8322 103.8677       220.6036 675.8283       295.7638 69.18200 29.84839 122.5756 37.58097 -53.39359      47.99225 
1 1 1 -35 19 11 o 145.5236 23.94693 743.9383       197.2750 836.1185       256.0902 609.4006       309.3828 146.8922 30.71613 113.6763 38.74135 33.21596       49.44060 
1 1 1 -35 19 12 f 55.23125 25.16637 -28.57304      179.7869 -134.1421      216.6603 204.8561       322.1725 54.04913 25.60576 80.97502 35.48682 -26.92590      43.76036 
1 1 1 -35 19 13 o 60.33998 26.93382 22.20370       194.0324 -44.74258      243.3419 139.0702       321.5132 61.43282 28.45764 76.95991 34.48822 -15.52709      44.71325 
1 1 1 -35 19 14 o 78.38880 29.42164 227.1454       183.1092 169.2804       227.0267 334.8593       309.7453 74.17569 31.06643 88.87688 36.67445 -14.70119      48.06390 
1 1 1 -35 19 15 o 117.5311 28.70396 532.4988       196.1195 766.4711       261.7070 232.8005       296.1933 136.5138 33.04615 81.21224 34.80587 55.30157       47.99475 
1 1 1 -35 19 16 o 47.12901 22.59873 -164.9504      179.6261 -386.9352      227.7736 200.1957       292.1294 45.65096 22.62108 78.48621 34.10370 -32.83525      40.92402 
1 1 1 -35 20 1  o 46.51098 22.71088 -280.9344      203.5120 -513.6293      251.7997 157.4169       345.5994 46.02241 22.96493 80.89371 36.03758 -34.87130      42.73284 
1 1 1 -35 20 2  o 117.3897 30.48350 532.3035       211.7058 588.1348       257.5312 415.9328       371.8032 118.7884 34.76184 96.87367 40.09715 21.91473       53.06756 
1 1 1 -35 20 3  o 59.18572 27.15912 -42.53569      214.2990 -42.40288      277.4077 -42.73224      337.4745 65.72791 30.42528 70.63850 32.98771 -4.910583      44.87635 
1 1 1 -35 20 4  o 171.1162 23.29390 1007.546       227.7038 904.1602       304.1486 1139.390       343.4680 147.8351 35.52341 165.6857 36.34825 -17.85063      50.82428 
1 1 1 -35 20 5  o 69.23996 29.06690 119.8548       199.4550 120.3693       255.9022 119.0583       318.3622 73.26814 31.87683 76.93488 34.40954 -3.666740      46.90575 
1 1 1 -35 20 6  o 188.2367 20.16052 1176.942       219.1021 1105.259       290.3062 1271.814       333.9777 171.1306 30.01947 179.9175 32.86198 -8.786911      44.50930 
1 1 1 -35 20 7  o 64.91588 27.64584 86.81831       184.7498 153.8794       231.5751 -30.59717      306.4216 73.95579 31.19896 68.28191 31.73452 5.673882       44.50230 
1 1 1 -35 20 8  o 65.44505 28.05156 85.76734       192.4310 -45.43885      252.4947 267.5717       297.2195 62.71221 29.02849 84.91467 35.55387 -22.20246      45.89914 
1 1 1 -35 20 9  o 132.6329 25.52385 632.7347       191.3342 814.2086       241.9158 329.5771       312.6736 146.9247 29.10452 89.41753 36.86747 57.50715       46.97110 
1 1 1 -35 20 10 o 139.5190 26.48846 709.6709       208.8160 793.2532       264.5782 571.6070       340.0453 140.3376 32.74715 107.5973 40.15328 32.74031       51.81372 
1 1 1 -35 20 11 o 44.98621 21.83510 -221.7968      180.5018 -294.5214      215.8807 -52.83625      329.0531 47.33270 23.17132 68.49100 32.17328 -21.15830      39.64883 
1 1 1 -35 20 12 o 95.86582 31.41007 374.2621       203.6608 469.7372       257.8058 215.7704       332.1627 103.0780 35.35880 81.70896 35.91358 21.36900       50.39870 
1 1 1 -35 20 13 o 86.83264 31.09356 301.1687       200.7608 327.8504       265.5957 265.6018       306.6455 88.44875 34.83995 83.88872 35.66750 4.560028       49.85973 
1 1 1 -35 20 14 o 59.37884 26.91041 -0.6626306     202.1575 296.7728       288.6683 -286.9320      283.1980 85.44991 35.34636 55.31971 26.96339 30.13020       44.45660 
1 1 1 -35 20 15 o 61.19918 26.70146 58.69596       180.6359 239.9229       234.7635 -204.2985      282.8085 79.73983 32.29788 57.88057 27.90772 21.85926       42.68482 
1 1 1 -35 21 1  o 83.62257 31.22188 261.7262       205.6460 377.8232       261.2979 72.78967       333.3370 95.03493 35.24952 75.51199 34.35305 19.52294       49.22053 
1 1 1 -35 21 2  o 69.49960 29.12648 122.3297       199.7517 213.8587       242.0059 -73.32281      353.8257 79.72653 32.60500 70.37543 33.15289 9.351105       46.49946 
1 1 1 -35 21 3  o 109.5960 34.43789 505.9217       246.6530 715.1885       298.8582 58.87280       436.8100 127.3214 37.49853 80.05996 37.43410 47.26142       52.98539 
1 1 1 -35 21 4  o 98.40620 33.32303 400.0621       228.8550 591.9495       301.5355 139.3545       351.4732 113.6927 38.25034 79.46887 35.79857 34.22387       52.38918 
1 1 1 -35 21 5  o 134.4254 28.07743 671.5037       214.2038 839.4590       292.2705 476.5981       314.8476 141.7939 35.28729 101.6583 38.48667 40.13560       52.21510 
1 1 1 -35 21 6  o 85.66014 31.12811 284.1911       202.1064 423.0927       267.6008 99.75930       308.3557 98.55414 35.81773 74.85378 33.64124 23.70036       49.13901 
1 1 1 -35 21 7  o 87.36885 30.97780 299.3454       198.7955 176.1453       258.2104 478.6567       311.5100 76.83611 32.70143 101.5255 38.31668 -24.68942      50.37412 
1 1 1 -35 21 8  o 86.22691 31.03935 290.8989       200.3545 321.0450       250.9687 237.9241       332.6892 88.72527 34.17115 83.55119 36.34843 5.174088       49.88864 
1 1 1 -35 21 9  o 112.1391 31.38802 505.6093       214.5389 767.5367       270.6217 62.53358       351.9744 136.2607 33.98119 75.09012 34.58471 61.17053       48.48529 
1 1 1 -35 21 10 o 63.10311 27.41470 65.19354       188.7049 -8.178718      221.1555 261.6375       361.8688 61.29813 27.92350 85.21833 37.46959 -23.92020      46.72999 
1 1 1 -35 21 11 o 79.93523 30.78144 238.7888       203.6266 381.2703       254.1112 -16.86486      340.3852 93.85178 34.77053 70.51384 32.99478 23.33794       47.93376 
1 1 1 -35 21 12 o 117.6758 28.13531 528.9805       191.5397 617.8470       238.7634 368.5370       320.8186 122.1197 32.69078 90.85125 37.38986 31.26848       49.66577 
1 1 1 -35 21 13 o 117.6511 31.65612 567.6644       223.1889 741.2074       324.5706 411.9951       307.4023 122.7630 39.61135 93.90939 37.32608 28.85359       54.42697 
1 1 1 -35 22 1  o 55.67066 25.74311 -64.84277      197.8374 -20.45200      248.3198 -141.9830      327.3449 63.88612 29.28612 65.57156 31.18258 -1.685448      42.77885 
1 1 1 -35 22 2  o 61.97926 27.26017 41.07410       191.6745 305.8188       230.7296 -548.5154      344.3218 87.97780 33.02533 55.14239 27.40766 32.83541       42.91681 
1 1 1 -35 22 3  o 101.2814 31.89985 414.6685       211.5170 187.1032       259.3456 866.7481       365.5386 77.99278 32.96517 133.2473 41.93119 -55.25453      53.33786 
1 1 1 -35 22 4  o 226.2772 18.87084 1676.282       248.1500 1569.368       325.7722 1824.065       383.0090 207.6170 27.42477 218.8848 30.67722 -11.26775      41.14864 
1 1 1 -35 22 5  o 83.29520 32.13244 263.2379       222.1754 393.9423       288.0365 71.23734       349.1030 94.97714 36.60024 75.65045 34.69585 19.32669       50.43193 
1 1 1 -35 22 6  o 86.17496 31.92708 291.9882       214.2514 182.2844       278.5362 450.9529       335.2904 78.10760 33.61791 98.21919 39.00080 -20.11160      51.49006 
1 1 1 -35 22 7  o 76.42712 30.41011 200.9056       204.2537 92.04790       250.1644 418.5912       353.7616 70.27262 31.01595 95.17098 39.22488 -24.89836      50.00580 
1 1 1 -35 22 8  o 96.26307 30.48055 370.9485       192.8789 452.5990       227.6138 162.9770       363.2627 103.6812 33.14421 80.03851 36.19298 23.64265       49.07617 
1 1 1 -35 22 9  o 60.80767 27.40480 11.55966       206.2457 -8.047343      250.2060 53.12445       364.2964 63.92088 29.33731 74.77924 34.70198 -10.85835      45.44123 
1 1 1 -35 22 10 o 112.1559 29.35053 493.1888       195.2596 366.0344       235.3724 773.8395       349.6819 92.59650 33.60051 123.3002 41.18734 -30.70367      53.15441 
1 1 1 -35 23 1  o 51.42464 23.83491 -70.24788      171.0649 -107.9646      201.9038 25.71080       322.0475 53.56573 25.17472 71.74238 33.05688 -18.17665      41.55146 
1 1 1 -35 23 2  o 55.77932 25.41084 -28.04700      183.1765 -75.55066      216.4875 91.67731       343.6850 57.07690 26.57660 76.08005 34.71585 -19.00315      43.72078 
1 1 1 -35 23 3  o 61.85493 26.55521 68.04305       172.9632 30.33699       192.7860 223.6286       391.6108 60.93861 27.04522 84.22435 37.87721 -23.28574      46.54167 
1 1 1 -35 23 4  o 103.7125 28.34814 412.9230       177.3189 312.5768       197.0998 838.9214       406.1063 88.65123 30.89228 123.7706 44.23446 -35.11942      53.95387 
1 1 1 -35 23 5  o 81.06587 31.42515 247.6432       213.2681 284.2566       252.0877 155.4592       399.9993 84.85715 33.77746 80.97685 37.13882 3.880295       50.20168 
1 1 1 -34 0  1  f 53.22107 37.48054 -388.9229      460.0933 -388.9229      460.0933 -388.9229      460.0933 53.22107 37.48054 53.22107 37.48054 0.000000       0.000000 
1 1 1 -34 0  2  o 62.93898 42.47439 -70.61860      455.4163 -70.61860      455.4163 -70.61860      455.4163 62.93898 42.47439 62.93898 42.47439 0.000000       0.000000 
1 1 1 -34 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  4  o 173.1274 53.46768 1256.803       475.0634 1256.803       475.0634 1256.803       475.0634 173.1274 53.46768 173.1274 53.46768 -0.000000      0.000000 
1 1 1 -34 0  5  o 202.9303 48.40062 1573.664       499.8242 1573.664       499.8242 1573.664       499.8242 202.9303 48.40062 202.9303 48.40062 -0.000000      0.000000 
1 1 1 -34 0  6  o 84.72041 50.96524 359.2139       457.8878 359.2139       457.8878 359.2139       457.8878 84.72041 50.96524 84.72041 50.96524 0.000000       0.000000 
1 1 1 -34 0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 0  8  o 83.87005 49.94446 358.3549       431.1698 358.3549       431.1698 358.3549       431.1698 83.87005 49.94446 83.87005 49.94446 -0.000000      0.000000 
1 1 1 -34 0  9  o 135.5889 56.01263 905.7617       441.9009 905.7617       441.9009 905.7617       441.9009 135.5889 56.01263 135.5889 56.01263 0.000000       0.000000 
1 1 1 -34 0  10 o 68.70889 42.38430 189.0584       334.5363 189.0584       334.5363 189.0584       334.5363 68.70889 42.38430 68.70889 42.38430 -0.000000      0.000000 
1 1 1 -34 0  11 o 98.21153 47.62754 498.6672       320.6944 498.6672       320.6944 498.6672       320.6944 98.21153 47.62754 98.21153 47.62754 0.000000       0.000000 
1 1 1 -34 0  12 o 51.34671 34.52974 -54.03804      296.0151 -54.03804      296.0151 -54.03804      296.0151 51.34671 34.52974 51.34671 34.52974 0.000000       0.000000 
1 1 1 -34 0  13 o 239.3092 22.99911 1811.399       315.5028 1811.399       315.5028 1811.399       315.5028 239.3092 22.99911 239.3092 22.99911 0.000000       0.000000 
1 1 1 -34 0  14 o 41.22297 29.08233 -266.9804      280.9260 -266.9804      280.9260 -266.9804      280.9260 41.22297 29.08233 41.22297 29.08233 0.000000       0.000000 
1 1 1 -34 0  15 o 106.5939 45.34618 550.8970       287.9262 550.8970       287.9262 550.8970       287.9262 106.5939 45.34618 106.5939 45.34618 0.000000       0.000000 
1 1 1 -34 0  16 o 320.7826 18.01895 3157.427       336.5284 3157.427       336.5284 3157.427       336.5284 320.7826 18.01895 320.7826 18.01895 -0.000000      0.000000 
1 1 1 -34 0  17 o 104.7251 42.63742 515.7663       257.0392 515.7663       257.0392 515.7663       257.0392 104.7251 42.63742 104.7251 42.63742 -0.000000      0.000000 
1 1 1 -34 0  18 o 121.4128 38.84605 608.8057       243.7736 608.8057       243.7736 608.8057       243.7736 121.4128 38.84605 121.4128 38.84605 -0.000000      0.000000 
1 1 1 -34 0  19 o 135.2792 35.54743 700.7632       243.6620 700.7632       243.6620 700.7632       243.6620 135.2792 35.54743 135.2792 35.54743 0.000000       0.000000 
1 1 1 -34 0  20 o 232.5659 20.22681 1704.907       270.8782 1704.907       270.8782 1704.907       270.8782 232.5659 20.22681 232.5659 20.22681 0.000000       0.000000 
1 1 1 -34 0  21 o 108.7320 40.33345 532.8112       238.7465 532.8112       238.7465 532.8112       238.7465 108.7320 40.33345 108.7320 40.33345 0.000000       0.000000 
1 1 1 -34 0  22 o 50.38818 32.64244 52.13647       228.0641 52.13647       228.0641 52.13647       228.0641 50.38818 32.64244 50.38818 32.64244 -0.000000      0.000000 
1 1 1 -34 0  23 o 170.0955 27.38650 993.6597       251.9773 993.6597       251.9773 993.6597       251.9773 170.0955 27.38650 170.0955 27.38650 0.000000       0.000000 
1 1 1 -34 0  24 f 51.46622 33.15898 70.20970       231.1037 70.20970       231.1037 70.20970       231.1037 51.46622 33.15898 51.46622 33.15898 0.000000       0.000000 
1 1 1 -34 0  25 o 174.1692 24.19365 1015.383       233.5195 1015.383       233.5195 1015.383       233.5195 174.1692 24.19365 174.1692 24.19365 0.000000       0.000000 
1 1 1 -34 0  26 o 40.79094 28.03370 -88.40524      218.4051 -88.40524      218.4051 -88.40524      218.4051 40.79094 28.03370 40.79094 28.03370 0.000000       0.000000 
1 1 1 -34 0  27 o 41.15507 28.27938 -84.87909      222.0417 -84.87909      222.0417 -84.87909      222.0417 41.15507 28.27938 41.15507 28.27938 -0.000000      0.000000 
1 1 1 -34 0  28 o 98.57582 41.11853 488.7409       237.6098 488.7409       237.6098 488.7409       237.6098 98.57582 41.11853 98.57582 41.11853 -0.000000      0.000000 
1 1 1 -34 0  29 o 35.40693 25.29609 -273.7816      237.7165 -273.7816      237.7165 -273.7816      237.7165 35.40693 25.29609 35.40693 25.29609 0.000000       0.000000 
1 1 1 -34 1  1  o 91.07731 37.39268 216.2496       319.8664 490.7317       441.8964 -85.86007      463.6025 114.7499 45.01810 85.51860 39.49654 29.23132       59.88828 
1 1 1 -34 1  2  f 85.89204 36.74668 132.1882       329.0816 476.9733       457.4222 -237.7170      473.7926 113.9349 45.45095 80.82677 38.16391 33.10810       59.34874 
1 1 1 -34 1  3  o 268.9583 22.71967 2313.215       355.0262 2388.967       490.1335 2229.598       514.9511 262.5219 32.52999 249.0742 36.32084 13.44769       48.75863 
1 1 1 -34 1  4  o 178.7507 33.39299 1128.689       337.1994 1270.174       459.5236 963.6212       496.3463 178.4303 44.15474 148.5295 49.05368 29.90080       65.99928 
1 1 1 -34 1  5  f 259.5293 23.16362 2165.518       348.8665 2179.522       483.3710 2150.291       504.0200 248.4656 34.06747 244.1129 36.30894 4.352737       49.78887 
1 1 1 -34 1  6  o 150.6908 36.82862 844.1047       322.6812 1011.371       455.5703 675.7028       457.1137 154.8937 46.46692 127.0218 46.70982 27.87186       65.88612 
1 1 1 -34 1  7  o 73.57813 33.34032 -41.49419      310.1591 -517.8363      441.3354 423.3494       435.9761 69.23109 33.72523 108.9359 44.05349 -39.70479      55.48064 
1 1 1 -34 1  8  o 59.17601 28.68878 -382.2336      309.2196 -426.8102      435.7681 -337.0236      438.8535 71.05376 34.35332 73.97614 35.43248 -2.922379      49.35192 
1 1 1 -34 1  9  o 67.31334 30.48314 -48.89113      258.8070 63.45120       404.9504 -126.4635      336.4988 86.52507 38.74528 71.89492 33.35945 14.63015       51.12778 
1 1 1 -34 1  10 o 69.23708 30.70354 5.500065       247.9740 -331.0030      378.5809 258.3578       328.1726 68.22089 32.73756 93.20543 38.02496 -24.98454      50.17614 
1 1 1 -34 1  11 o 93.43355 32.22206 304.7624       214.1834 135.8459       297.6248 486.2113       308.4681 82.35179 35.08080 112.1678 38.66981 -29.81606      52.21127 
1 1 1 -34 1  12 o 69.83897 29.46693 81.09841       206.6300 -20.89557      286.4887 191.6811       298.3073 71.36523 32.21848 85.99214 35.78239 -14.62691      48.14987 
1 1 1 -34 1  13 o 165.2240 22.37627 892.3931       211.2581 614.6830       291.8504 1198.071       306.1936 125.3977 37.08877 185.7187 29.06421 -60.32108      47.12012 
1 1 1 -34 1  14 o 70.47855 29.19774 104.5817       197.3855 82.57841       274.2256 128.2381       284.3397 75.85158 32.99961 79.74438 34.13793 -3.892799      47.48023 
1 1 1 -34 1  15 o 47.84846 22.96382 -208.5088      186.3888 -151.4074      262.0764 -266.9519      265.1375 61.17445 28.72895 56.69297 27.25521 4.481476       39.60049 
1 1 1 -34 1  16 o 147.8942 22.29131 725.0062       187.3452 792.2673       258.8933 651.0655       271.4444 147.2742 30.95840 129.2158 34.97281 18.05836       46.70674 
1 1 1 -34 1  17 o 72.50724 28.68993 148.3368       180.8416 -69.15998      253.4824 373.7890       258.0767 63.74401 29.35558 98.31962 35.24821 -34.57561      45.87141 
1 1 1 -34 1  18 o 224.4770 15.16798 1567.012       198.5147 1742.978       279.0626 1386.745       282.4525 231.1642 20.80644 202.4766 24.26890 28.68756       31.96698 
1 1 1 -34 1  19 o 184.7518 17.06750 1082.518       182.8411 821.6146       250.0163 1382.485       268.0807 150.2473 29.42666 203.1383 22.90075 -52.89099      37.28771 
1 1 1 -34 1  20 o 71.29529 27.64778 154.2103       165.1252 34.45023       234.5436 271.9068       232.5141 67.04599 29.78902 86.49608 32.99663 -19.45009      44.45406 
1 1 1 -34 1  21 o 109.3465 25.73001 427.5468       162.2348 519.8885       223.0768 323.8728       236.3689 115.2809 31.90980 91.18427 33.57874 24.09661       46.32243 
1 1 1 -34 1  22 o 180.1345 16.66614 1035.036       174.0729 1139.306       239.2634 917.7803       253.7253 182.9680 22.78986 158.3425 28.36394 24.62552       36.38531 
1 1 1 -34 1  23 o 88.98595 27.83888 296.8853       161.3605 274.9144       225.1109 320.1042       231.4160 85.04861 32.46158 89.69241 33.19030 -4.643806      46.42575 
1 1 1 -34 1  24 o 39.48198 19.45717 -279.5472      160.5069 -290.6020      230.5900 -269.1566      223.5555 49.56045 24.19440 49.40969 24.05451 0.1507607      34.11728 
1 1 1 -34 1  25 o 142.0843 21.07157 685.4838       170.2749 656.6671       235.4106 717.1019       246.5883 128.3771 31.50597 134.0286 31.84423 -5.651550      44.79600 
1 1 1 -34 1  26 o 59.40507 25.64675 55.76151       163.0744 17.48333       221.7239 100.8665       240.6852 62.64305 28.30634 69.67790 30.60001 -7.034847      41.68464 
1 1 1 -34 1  27 o 93.83913 28.34396 345.9776       169.0859 228.9516       225.9667 494.8714       254.8834 78.52111 31.72924 104.5667 35.16705 -26.04560      47.36524 
1 1 1 -34 1  28 o 70.77175 27.94246 170.2093       171.2012 180.2658       235.9359 159.0257       248.8065 74.35228 31.43509 73.31995 31.66664 1.032326       44.61996 
1 1 1 -34 1  29 o 82.11477 28.89001 266.9397       172.6376 -33.63176      239.1674 593.9123       249.4501 60.52614 28.09797 115.6149 34.31272 -55.08878      44.34927 
1 1 1 -34 2  1  o 83.60606 35.94756 110.1951       317.8557 299.5038       429.8620 -118.1808      472.1380 102.0270 42.74082 84.88327 39.43025 17.14369       58.15086 
1 1 1 -34 2  2  o 95.16098 38.60806 261.1651       336.0977 454.3083       452.8237 24.24107       501.5265 112.2839 45.07600 92.31852 42.05276 19.96542       61.64642 
1 1 1 -34 2  3  o 461.5901 17.97800 6590.078       485.7549 6292.017       650.9122 6964.714       729.7499 439.9493 25.33435 459.5256 27.19950 -19.57629      37.17044 
1 1 1 -34 2  4  o 287.1512 21.46050 2614.725       358.7968 2682.053       496.2871 2541.000       519.3272 280.2889 30.69218 269.1232 33.63570 11.16571       45.53428 
1 1 1 -34 2  5  o 180.5824 31.78079 1136.121       324.2960 994.6149       444.5057 1297.149       474.1786 154.5986 45.78403 178.7281 45.21207 -24.12947      64.34523 
1 1 1 -34 2  6  o 70.95945 32.59085 -93.69334      309.5292 87.97836       414.9163 -321.6737      464.7994 88.99453 39.57623 76.93996 36.74686 12.05457       54.00565 
1 1 1 -34 2  7  o 91.21658 37.31095 230.4875       316.9795 14.20445       429.0198 490.4866       470.3835 86.31387 39.15118 113.6796 45.83473 -27.36569      60.27966 
1 1 1 -34 2  8  o 54.57460 26.83333 -493.5300      299.5352 -188.8493      408.6341 -847.3508      440.3559 76.27762 35.83804 61.55937 30.66223 14.71825       47.16500 
1 1 1 -34 2  9  o 60.18138 28.27157 -174.4379      254.1486 -261.2756      388.9586 -109.7419      335.7285 71.72736 34.07580 72.53867 33.54037 -0.8113174     47.81335 
1 1 1 -34 2  10 o 131.9903 32.16833 627.2784       246.7060 649.1028       358.3655 607.6177       340.1375 126.5153 41.67687 123.3828 40.60109 3.132584       58.18428 
1 1 1 -34 2  11 o 62.63443 28.64822 -75.63843      235.8566 -45.51876      338.6622 -104.0062      328.6658 75.37301 34.41921 71.68203 33.15886 3.690979       47.79322 
1 1 1 -34 2  12 o 91.12709 32.20267 288.0564       214.6782 428.2153       295.4548 131.2994       312.4599 106.0921 37.75021 82.72009 35.60476 23.37198       51.89198 
1 1 1 -34 2  13 o 187.5982 20.38196 1128.889       220.6462 1005.575       304.8483 1264.568       319.7679 166.8010 32.33013 190.2440 29.62397 -23.44296      43.84994 
1 1 1 -34 2  14 o 86.29395 30.82930 255.2673       197.2446 219.6344       268.2695 297.1966       291.0076 85.59376 34.57736 93.01648 36.52028 -7.422722      50.29239 
1 1 1 -34 2  15 o 137.6535 25.06016 645.1142       194.8609 644.8148       263.8452 645.4734       289.0226 129.8934 34.17887 127.4960 36.68509 2.397346       50.13971 
1 1 1 -34 2  16 o 66.11872 27.84355 78.28107       183.9204 201.0275       243.6900 -84.17623      280.3516 81.78628 32.98516 66.11777 30.59893 15.66850       44.99239 
1 1 1 -34 2  17 o 274.9906 16.07875 2361.268       258.1796 2229.567       350.3318 2517.820       381.9566 258.7165 23.33970 274.0780 24.00442 -15.36157      33.48064 
1 1 1 -34 2  18 o 188.0258 16.99071 1117.431       185.3414 1406.704       259.1749 814.6622       265.1519 206.5945 21.71489 147.9813 31.51809 58.61316       38.27436 
1 1 1 -34 2  19 o 200.2177 15.92556 1258.390       185.4628 1181.478       254.9198 1344.879       270.3255 186.7174 23.82091 199.6069 23.54447 -12.88948      33.49295 
1 1 1 -34 2  20 o 150.3437 20.14102 742.8671       173.1261 734.7256       231.3636 753.2260       260.9770 142.0193 28.76503 140.0375 32.41747 1.981796       43.33958 
1 1 1 -34 2  21 f 156.3723 19.65955 802.7262       176.3197 762.9370       235.4219 853.5583       266.0932 144.0549 28.87208 149.9578 31.27034 -5.902878      42.56091 
1 1 1 -34 2  22 o 40.83370 20.01646 -260.1819      162.7395 -370.9046      226.2234 -141.4271      234.2852 46.67262 23.01957 56.53901 26.73825 -9.866386      35.28221 
1 1 1 -34 2  23 o 145.6970 20.33514 708.7147       169.0322 593.7122       239.6559 822.5571       238.4440 121.1730 32.88887 149.2554 28.27471 -28.08243      43.37207 
1 1 1 -34 2  24 o 226.6768 16.47742 1643.065       217.5561 1727.375       313.0864 1564.346       302.5269 221.9052 24.46270 210.3729 25.00908 11.53223       34.98397 
1 1 1 -34 2  25 o 67.72169 27.07941 137.6421       162.7574 378.4635       226.8266 -117.9373      233.6734 95.09257 33.13990 56.82790 26.82310 38.26467       42.63486 
1 1 1 -34 2  26 o 104.7536 26.94248 414.2555       166.4535 614.9399       231.6859 200.1636       239.3002 122.8965 31.87752 76.99243 32.04395 45.90408       45.19945 
1 1 1 -34 2  27 o 67.78009 27.00001 145.4173       161.1914 198.7184       215.3142 77.45505       243.1301 75.46420 30.79526 67.75838 30.20361 7.705818       43.13475 
1 1 1 -34 2  28 o 88.25015 28.29096 307.5646       165.7485 251.3300       228.5590 369.9432       240.7213 80.20364 32.08333 91.59357 33.85876 -11.38993      46.64500 
1 1 1 -34 2  29 o 90.57954 28.21786 325.8630       165.9689 218.6458       227.5793 447.6682       242.5679 76.93186 31.55789 99.37617 34.28992 -22.44431      46.60149 
1 1 1 -34 3  1  o 76.63860 34.42923 -14.77587      322.6006 -226.2903      418.7609 294.0006       505.9624 76.49375 36.04495 104.6577 45.17924 -28.16396      57.79621 
1 1 1 -34 3  2  f 99.65833 38.28188 330.2814       314.4092 420.5362       416.8510 211.1813       478.8523 109.2108 43.44704 99.26279 43.38822 9.948036       61.40182 
1 1 1 -34 3  3  o 199.8880 29.41240 1355.643       334.5014 1362.515       452.4354 1347.358       496.7812 187.4847 42.17181 180.9845 46.54305 6.500183       62.80699 
1 1 1 -34 3  4  o 99.45871 38.44312 328.8344       318.4680 350.7068       424.8029 300.7669       481.2179 104.5231 43.02146 103.6529 44.39277 0.8701401      61.81879 
1 1 1 -34 3  5  o 128.2974 39.25127 633.8565       322.8583 578.2574       433.4819 703.1235       483.8386 120.1405 45.23097 128.5226 47.90940 -8.382042      65.88741 
1 1 1 -34 3  6  o 172.5087 32.96781 1053.976       321.3872 1506.790       432.2071 493.9322       480.6654 201.6815 37.93250 114.2102 46.23104 87.47133       59.80120 
1 1 1 -34 3  7  o 95.91883 37.39109 298.7638       303.2460 410.8603       400.6693 148.4498       463.9697 107.2168 42.61441 94.55888 41.96184 12.65794       59.80622 
1 1 1 -34 3  8  o 77.53146 32.51481 116.9267       249.1912 113.5014       373.0912 119.6853       334.8254 87.02360 38.16150 84.66373 36.65062 2.359863       52.91094 
1 1 1 -34 3  9  o 57.12913 27.00530 -193.5510      238.4904 -263.5076      348.1308 -131.6864      327.3777 67.52579 32.12484 70.65829 32.82626 -3.132500      45.93004 
1 1 1 -34 3  10 o 88.60307 33.18855 255.7133       232.7522 405.0152       339.2943 123.0043       319.8852 104.8594 39.89370 83.31142 35.94362 21.54801       53.69778 
1 1 1 -34 3  11 o 156.4312 26.85415 830.2476       237.4981 981.8961       353.4351 705.3949       320.6930 159.6418 38.25090 133.9687 38.67204 25.67308       54.39355 
1 1 1 -34 3  12 o 70.32935 29.80196 80.19726       212.8606 -239.6020      281.9623 503.9666       324.5765 60.41214 28.78857 112.7000 39.61612 -52.28790      48.97161 
1 1 1 -34 3  13 o 57.20479 26.25665 -79.16245      200.4634 -285.1373      264.2566 200.0398       307.6651 56.23884 27.08100 86.57281 36.20542 -30.33397      45.21297 
1 1 1 -34 3  14 o 49.48746 23.60468 -189.9711      190.4820 -365.3301      256.9083 24.12527       283.8695 52.25152 25.51458 72.93936 32.56638 -20.68784      41.37103 
1 1 1 -34 3  15 o 130.6525 25.94747 588.8771       191.8091 470.6117       256.5011 738.9029       288.8974 109.8316 35.19233 137.9070 35.50770 -28.07538      49.99297 
1 1 1 -34 3  16 o 128.7257 25.68472 573.0503       187.1061 475.7837       245.9583 706.6556       288.2649 110.4832 34.34054 133.5942 35.98963 -23.11101      49.74461 
1 1 1 -34 3  17 o 127.5112 25.78083 565.2186       186.1594 668.5228       252.8141 442.8647       275.1386 132.7388 32.69381 104.9554 36.50372 27.78344       49.00415 
1 1 1 -34 3  18 f 90.31973 29.52254 297.8732       179.9675 397.9317       253.9991 197.0015       255.0290 100.4077 35.06372 81.31610 33.38718 19.09164       48.41661 
1 1 1 -34 3  19 o 172.2149 18.12367 951.0753       180.3083 857.6676       247.6714 1056.409       263.0080 154.5113 28.37700 173.5397 26.69580 -19.02838      38.96049 
1 1 1 -34 3  20 o 117.4210 26.06568 490.1741       174.8173 582.6859       234.2215 373.8195       262.6758 122.6630 32.16784 96.54496 35.42413 26.11804       47.85017 
1 1 1 -34 3  21 o 65.62115 27.08866 102.1845       169.0748 149.0582       225.5705 42.08590       255.4172 74.27779 31.02773 68.94234 30.82880 5.335449       43.73940 
1 1 1 -34 3  22 o 57.21789 25.45209 5.888335       171.7294 117.9500       233.1488 -127.0090      253.9000 71.89006 30.84673 59.44168 28.02725 12.44838       41.67790 
1 1 1 -34 3  23 o 67.08750 27.20765 124.3167       166.8383 232.5067       224.0232 -10.41620      249.9979 80.71656 31.93400 64.59470 29.52580 16.12186       43.49199 
1 1 1 -34 3  24 o 154.7927 19.42581 794.5618       172.4783 869.0570       232.2186 702.8975       257.5924 154.7813 26.53622 130.9888 33.42543 23.79247       42.67822 
1 1 1 -34 3  25 o 54.81681 24.61843 -5.646187      164.8018 -167.9085      222.2124 192.6998       245.6807 53.14679 25.38997 77.12385 32.31048 -23.97705      41.09279 
1 1 1 -34 3  26 o 43.89174 21.15749 -177.4635      162.2978 -179.3410      222.8957 -175.3448      236.7807 52.48026 25.16712 54.32258 26.02098 -1.842323      36.20049 
1 1 1 -34 3  27 o 49.41742 23.15309 -88.08538      168.5149 -225.0938      232.0351 64.83137       245.1362 51.49200 24.93694 67.06593 30.07978 -15.57393      39.07230 
1 1 1 -34 3  28 o 192.8138 17.77908 1222.339       198.7845 1314.771       299.3031 1149.388       265.8995 185.8532 28.35590 176.0666 26.57768 9.786606       38.86425 
1 1 1 -34 3  29 o 146.7413 21.17598 744.4358       176.9749 891.2577       248.4678 593.2502       252.1331 151.3254 29.05275 114.9698 34.58637 36.35564       45.16945 
1 1 1 -34 4  1  o 80.10410 34.75839 77.83350       302.5851 285.9305       383.8860 -263.5509      491.6898 98.98690 40.83558 81.23660 38.51166 17.75031       56.13103 
1 1 1 -34 4  2  o 213.6418 26.34478 1507.204       323.1052 1415.891       411.7328 1653.578       521.2895 196.9534 37.00351 203.9039 44.81631 -6.950455      58.11852 
1 1 1 -34 4  3  o 280.0245 34.67944 2779.709       557.3708 0.000000       0.000000 2779.709       557.3708 ?        ?        280.0245 34.67944 0.000000       34.67944 
1 1 1 -34 4  4  o 234.4160 24.84802 1793.205       336.4133 1530.971       435.5775 2180.881       529.6085 203.7372 37.84682 243.0715 38.42682 -39.33430      53.93517 
1 1 1 -34 4  5  o 163.4921 34.18980 960.7532       317.2660 830.7542       420.1117 1133.302       484.0056 141.2926 45.01371 162.8099 47.65864 -21.51726      65.55593 
1 1 1 -34 4  6  o 266.0364 21.55420 2254.041       333.4196 2227.574       448.9809 2286.583       497.8497 254.5968 30.68755 253.4822 34.37379 1.114532       46.07910 
1 1 1 -34 4  7  o 129.2003 33.29872 605.0850       253.8999 507.6020       377.2462 685.8082       343.2886 114.2860 42.36094 131.8006 40.50245 -17.51457      58.60800 
1 1 1 -34 4  8  o 56.85643 26.93591 -204.4109      239.7630 -423.8694      341.2511 9.540405       336.9421 61.50663 29.89268 78.50832 35.23436 -17.00169      46.20641 
1 1 1 -34 4  9  o 77.81371 32.06174 136.9530       236.2624 -132.1503      326.4695 432.8677       342.3467 70.46318 32.75098 107.4385 40.24936 -36.97528      51.89063 
1 1 1 -34 4  10 o 80.59410 32.56159 169.8638       237.9345 384.1385       330.1529 -61.69044      343.2069 102.8379 39.29742 75.10569 34.42948 27.73218       52.24630 
1 1 1 -34 4  11 o 171.2394 24.69913 973.8184       240.8863 879.6944       340.1324 1068.534       341.1996 150.3105 38.43744 169.6318 35.44078 -19.32133      52.28275 
1 1 1 -34 4  12 f 65.92968 29.11514 11.37363       220.7304 203.4717       308.9889 -188.8177      315.4307 87.16698 36.35583 66.23152 31.23195 20.93546       47.92892 
1 1 1 -34 4  13 o 56.17905 25.90177 -89.65791      198.1580 -260.5352      257.4026 158.9487       310.4754 56.23373 26.98761 83.76461 35.76081 -27.53088      44.80142 
1 1 1 -34 4  14 o 48.54342 23.24284 -202.0414      188.4807 -223.2156      247.5504 -172.8363      290.7295 56.25638 26.85434 63.65542 30.00706 -7.399040      40.26883 
1 1 1 -34 4  15 o 82.88629 29.52677 234.9794       180.8014 171.6376       242.9914 313.5428       270.6174 79.41853 32.59688 93.10041 35.57779 -13.68188      48.25283 
1 1 1 -34 4  16 o 197.8926 17.06047 1234.125       196.0714 1322.349       262.3284 1122.455       295.1356 199.6502 22.81299 177.3978 29.39619 22.25243       37.20979 
1 1 1 -34 4  17 o 94.69576 29.48595 328.5297       181.2447 260.2465       235.5590 427.6126       283.7539 86.50706 33.15963 103.0492 36.95819 -16.54216      49.65349 
1 1 1 -34 4  18 o 230.7989 14.68501 1651.937       197.7425 1493.604       260.7320 1866.319       303.3911 213.3855 21.11066 237.5920 22.02378 -24.20654      30.50749 
1 1 1 -34 4  19 o 105.9402 28.10183 410.8579       177.4447 452.6784       238.4186 358.9276       265.6782 106.6009 33.90454 95.44270 35.51655 11.15819       49.10136 
1 1 1 -34 4  20 o 165.0074 18.78053 882.4379       178.5141 880.8137       241.9899 884.3770       264.4118 157.1841 27.23692 154.3191 30.29727 2.864990       40.74033 
1 1 1 -34 4  21 o 65.49958 27.23367 98.10498       172.6021 87.90166       235.3178 109.9868       253.9364 70.19753 30.55406 73.17471 31.79601 -2.977180      44.09690 
1 1 1 -34 4  22 o 55.16445 24.71424 -8.669900      164.9797 114.9306       219.8244 -168.0769      249.6430 70.62111 30.11839 57.10020 27.17595 13.52091       40.56661 
1 1 1 -34 4  23 o 62.14850 26.22597 78.31298       163.7156 209.0841       222.7355 -75.36047      241.4532 78.37081 31.56070 60.18792 28.03928 18.18289       42.21704 
1 1 1 -34 4  24 f 100.3956 27.17451 378.6014       163.8793 311.9008       227.7382 450.2314       236.0035 88.09515 32.86325 103.1435 33.81329 -15.04831      47.15222 
1 1 1 -34 4  25 o 112.8320 25.24801 462.6542       162.8935 462.7229       228.5475 462.5833       232.2291 104.7989 33.17893 104.4339 33.48821 0.3649597      47.14129 
1 1 1 -34 4  26 o 52.30276 23.77758 -25.95184      159.3430 -1.075281      223.3450 -51.73986      227.3998 61.52292 28.03960 59.06810 27.41317 2.454819       39.21353 
1 1 1 -34 4  27 o 75.73232 27.95252 212.4976       163.9551 274.0284       236.8253 155.8626       227.2085 82.62027 32.78700 72.25702 30.71124 10.36325       44.92402 
1 1 1 -34 4  28 o 69.44638 27.39034 161.2406       164.3467 115.6034       240.6908 201.1036       224.9494 69.78541 30.62525 75.61137 31.23241 -5.825966      43.74208 
1 1 1 -34 4  29 o 85.70160 27.58879 288.7659       157.5076 189.1867       228.7081 378.6037       217.2334 74.29560 31.15327 93.24922 32.43559 -18.95362      44.97326 
1 1 1 -34 5  1  o 125.2418 38.07468 593.9333       304.4275 841.3755       382.2754 164.9641       503.3296 145.4759 42.29018 98.04830 43.59669 47.42764       60.73821 
1 1 1 -34 5  2  o 116.5026 38.11877 510.7344       299.9952 233.1133       371.9317 1027.638       507.5069 94.73313 39.72573 152.4958 49.55846 -57.76272      63.51516 
1 1 1 -34 5  3  o 243.7819 23.63582 1920.604       333.6916 2070.752       436.6263 1709.752       517.4150 245.4072 31.02942 208.3780 43.73490 37.02924       53.62431 
1 1 1 -34 5  4  o 145.6553 35.62531 780.3702       301.7641 834.0310       391.5345 701.8578       473.5990 143.5922 43.07781 128.4404 47.48967 15.15182       64.11682 
1 1 1 -34 5  5  o 207.1630 26.19418 1421.861       311.1470 1333.386       402.4618 1553.309       490.5570 189.8085 37.48471 198.1982 43.40712 -8.389725      57.35226 
1 1 1 -34 5  6  o 167.1140 31.12084 974.8442       293.7900 1046.732       377.0408 863.7403       468.7320 165.2998 39.44382 140.5842 47.68918 24.71561       61.88758 
1 1 1 -34 5  7  f 88.78258 33.93247 247.9279       246.1886 24.22913       343.3101 484.7386       353.2283 79.89246 35.73234 112.3279 41.10086 -32.43546      54.46173 
1 1 1 -34 5  8  o 60.93888 28.14700 -109.1245      235.5234 38.72191       322.5206 -278.0538      344.7504 78.71002 34.95394 66.62688 31.77321 12.08314       47.23680 
1 1 1 -34 5  9  o 91.92925 33.62076 286.4575       236.3140 480.7151       327.9513 76.65924       340.8169 111.5284 39.76276 82.13215 36.22822 29.39622       53.79183 
1 1 1 -34 5  10 o 123.5572 31.62848 551.2911       230.1378 597.7130       315.3783 498.4168       336.5837 123.0080 38.97925 112.5529 40.26537 10.45509       56.04179 
1 1 1 -34 5  11 o 67.77949 29.46910 39.45167       218.3978 36.21001       294.3640 43.42109       325.7354 75.32092 33.42418 78.45962 34.96777 -3.138702      48.37273 
1 1 1 -34 5  12 o 93.65373 32.19006 312.5393       213.6992 107.6269       294.3542 540.9061       310.7440 79.46254 34.38168 116.3248 38.82589 -36.86224      51.86087 
1 1 1 -34 5  13 o 126.1591 29.89782 571.3831       217.8079 666.4579       304.9182 472.3296       311.2327 129.2811 37.82301 108.9319 38.74670 20.34916       54.14690 
1 1 1 -34 5  14 o 79.13596 29.96285 198.2668       190.8404 292.9073       248.1005 61.12835       298.6544 91.04926 34.23161 76.10667 33.72546 14.94259       48.05424 
1 1 1 -34 5  15 f 206.7951 16.49432 1339.352       198.3871 1212.204       263.3565 1506.163       301.6493 190.0146 24.17922 211.3010 24.81400 -21.28645      34.64634 
1 1 1 -34 5  16 o 136.2520 24.24961 631.4385       186.6716 717.4768       248.5185 520.0472       282.7734 139.3744 31.18438 112.9690 37.01117 26.40542       48.39724 
1 1 1 -34 5  17 o 262.3461 16.02740 2151.189       245.4206 1877.342       310.2425 2609.116       401.1858 238.0758 22.48596 277.3526 24.92968 -39.27675      33.57241 
1 1 1 -34 5  18 o 192.8130 16.59686 1173.000       185.8532 1171.937       238.4919 1174.645       296.5729 187.8313 22.07050 180.9594 28.91772 6.871872       36.37776 
1 1 1 -34 5  19 o 238.2961 18.29805 1819.648       253.7679 2475.910       522.3375 1616.892       290.3348 249.3733 36.82113 219.4470 22.89534 29.92635       43.35888 
1 1 1 -34 5  20 f 112.1356 26.35242 451.7596       170.3549 427.5828       223.2104 485.4886       263.6428 103.8027 32.77979 107.8158 35.75637 -4.013031      48.50806 
1 1 1 -34 5  21 o 139.6950 22.25144 662.5626       176.1913 493.3300       234.0658 883.8260       267.6398 110.3627 33.35138 152.6634 30.95331 -42.30075      45.50189 
1 1 1 -34 5  22 o 76.74165 28.60255 205.3243       172.4389 211.7635       229.1224 196.9123       261.8777 79.28833 31.98180 79.38544 33.31484 -0.9711456E-01 46.18132 
1 1 1 -34 5  23 o 45.15275 21.60417 -158.2128      162.2192 -142.4603      218.0279 -177.7466      242.7898 54.06948 25.63623 55.53094 26.53185 -1.461460      36.89383 
1 1 1 -34 5  24 o 189.0266 16.15020 1141.643       177.3270 1260.199       240.2571 999.7789       262.8148 192.6381 21.63965 163.8953 28.36888 28.74272       35.68007 
1 1 1 -34 5  25 o 115.9205 25.41344 489.1628       167.9986 804.7486       232.6735 145.4434       242.8232 146.6568 28.07386 73.24435 31.45488 73.41247       42.16101 
1 1 1 -34 5  26 o 54.75312 24.44310 6.430776       159.8581 -70.47466      219.7100 92.93914       233.0239 57.16126 26.66844 68.32072 30.05292 -11.15945      40.17939 
1 1 1 -34 5  27 o 115.7352 24.78612 489.3119       163.1681 391.7595       227.7416 592.2030       233.8904 94.95106 33.19890 118.5785 32.61644 -23.62744      46.54030 
1 1 1 -34 5  28 f 109.1163 25.19223 441.0255       157.9545 448.3713       218.9611 433.0551       228.0807 102.0791 32.49452 99.33159 33.26521 2.747482       46.50234 
1 1 1 -34 5  29 o 70.34188 27.44487 173.0131       163.4892 24.01924       230.8687 322.8876       231.5500 62.74431 28.56204 86.33543 32.92989 -23.59112      43.59092 
1 1 1 -34 6  1  o 144.9469 37.26966 786.5278       318.5752 947.6680       420.6877 569.8820       487.7901 152.1959 44.39862 119.3952 47.15788 32.80065       64.76961 
1 1 1 -34 6  2  o 155.2717 34.96194 875.8736       310.6861 984.1703       391.8990 692.6697       509.7227 158.2000 41.66869 127.1877 48.77197 31.01226       64.14815 
1 1 1 -34 6  3  o 355.0819 17.85874 3908.349       370.7093 3875.753       479.2343 3956.913       584.9535 346.5684 23.72110 341.9648 29.45356 4.603638       37.81803 
1 1 1 -34 6  4  o 209.8590 25.23083 1447.325       304.3133 1599.325       379.4030 1173.148       509.5579 215.2088 30.94901 163.3963 49.17162 51.81258       58.10068 
1 1 1 -34 6  5  f 254.4347 20.73421 2051.882       306.7158 1876.039       374.5027 2410.115       534.5335 236.7618 27.48063 257.4351 36.42024 -20.67332      45.62476 
1 1 1 -34 6  6  o 242.9026 26.56240 1961.457       372.2374 0.000000       0.000000 1961.457       372.2374 ?        ?        242.9026 26.56240 0.000000       26.56240 
1 1 1 -34 6  7  o 102.4702 33.21307 377.6497       228.0274 655.7098       312.8545 62.53012       333.0511 130.1967 38.37216 80.97362 35.76100 49.22305       52.45257 
1 1 1 -34 6  8  o 84.16718 32.56117 213.1691       228.6179 314.1132       321.7402 110.2249       324.9121 97.14396 38.32100 82.94854 36.00512 14.19542       52.58200 
1 1 1 -34 6  9  o 112.8346 32.40114 464.0123       225.6778 814.4388       322.1449 126.2931       316.2501 145.7285 37.48165 83.04879 35.78386 62.67968       51.82045 
1 1 1 -34 6  10 o 121.4442 31.28241 532.6359       224.1670 630.6331       305.8712 418.9242       329.4839 126.7462 38.08641 105.2201 39.47192 21.52606       54.85077 
1 1 1 -34 6  11 f 136.1066 28.28484 645.4597       218.3991 715.9117       298.2859 564.0466       320.6515 136.2721 36.56564 118.4458 39.43776 17.82632       53.78088 
1 1 1 -34 6  12 o 126.7023 29.57451 572.5074       215.7413 705.9661       293.6528 415.9919       318.0091 135.0213 36.30280 103.9528 38.82302 31.06846       53.15186 
1 1 1 -34 6  13 o 214.0314 17.87881 1444.101       222.3743 1586.851       319.7455 1310.374       309.4754 216.8226 25.64040 194.6129 27.91261 22.20964       37.90176 
1 1 1 -34 6  14 o 60.89562 27.25724 -14.74022      200.1888 128.0135       275.5653 -174.2725      291.3098 78.39634 33.58495 63.39340 29.93021 15.00294       44.98629 
1 1 1 -34 6  15 o 55.52391 25.37740 -60.20936      184.6310 -288.5905      241.9968 257.8932       285.6032 52.59209 25.46897 88.34420 35.68107 -35.75211      43.83842 
1 1 1 -34 6  16 f 80.43388 29.44356 218.3351       181.3035 184.3008       231.8406 271.9168       290.8971 79.31560 32.10701 89.28403 36.02819 -9.968437      48.25859 
1 1 1 -34 6  17 o 164.4276 20.21701 881.6408       190.8593 817.5612       244.0395 982.5681       306.2699 151.1240 28.58116 160.5831 33.60112 -9.459152      44.11256 
1 1 1 -34 6  18 o 84.40052 29.49852 255.3112       179.7918 289.6457       235.4317 207.2712       278.4843 88.73898 33.34976 82.84522 34.53096 5.893753       48.00618 
1 1 1 -34 6  19 o 180.9666 16.84668 1039.527       176.7445 978.5621       224.6395 1138.593       286.3563 170.0989 23.11583 178.0260 28.37866 -7.927032      36.60177 
1 1 1 -34 6  20 o 115.5621 26.35572 480.0338       174.6539 304.2177       230.9174 715.0622       266.9855 89.16551 33.12487 133.7879 33.97028 -44.62242      47.44720 
1 1 1 -34 6  21 o 63.18990 26.82354 74.79127       172.9507 1.111846       232.3917 166.2622       258.9340 63.97614 28.93721 77.24503 32.80655 -13.26890      43.74507 
1 1 1 -34 6  22 o 61.38891 26.22331 64.50014       167.1230 42.88737       224.1696 91.54293       250.7536 65.53455 29.11982 71.03361 31.21319 -5.499054      42.68755 
1 1 1 -34 6  23 o 50.46818 23.44453 -76.54671      166.9384 -157.2513      223.2391 25.83778       251.4423 53.97676 25.69202 66.51582 30.09158 -12.53906      39.56745 
1 1 1 -34 6  24 o 88.22018 28.59895 299.1897       169.0669 181.9153       230.2441 436.4103       249.0558 75.73487 31.46877 100.3964 34.74061 -24.66154      46.87423 
1 1 1 -34 6  25 o 111.0234 26.40400 458.1146       169.4010 457.4548       226.5506 458.9514       255.1254 104.0152 33.04615 101.7495 35.16368 2.265762       48.25487 
1 1 1 -34 6  26 o 71.65680 26.87540 180.1618       152.7282 330.6160       196.1159 -51.70870      243.4631 89.94314 30.83995 60.54858 28.18998 29.39455       41.78250 
1 1 1 -34 6  27 o 77.24271 27.65075 224.8248       158.7506 270.5233       208.6231 161.9665       244.6770 82.24036 31.28364 73.46056 31.56164 8.779808       44.43876 
1 1 1 -34 6  28 o 102.3198 26.92438 402.1689       163.7251 490.0907       226.3420 305.6758       237.1183 106.3082 32.92628 85.12311 33.09744 21.18511       46.68598 
1 1 1 -34 6  29 o 67.86294 26.94890 153.2548       160.0980 214.1288       216.0087 79.05574       238.4812 75.80357 30.87831 66.59000 29.78217 9.213570       42.90044 
1 1 1 -34 7  1  o 75.66237 33.77718 5.341524       305.2518 -182.0825      398.5923 271.1662       474.6942 75.85756 35.56253 101.3556 43.75740 -25.49808      56.38620 
1 1 1 -34 7  2  o 139.6314 37.13532 733.6262       309.3542 672.5354       402.1829 822.1393       484.1052 127.9831 44.15347 136.8202 48.35720 -8.837120      65.48243 
1 1 1 -34 7  3  f 133.1572 37.01741 668.8971       299.4938 844.0279       379.8541 381.1545       486.8976 145.0521 42.15286 107.4254 45.27439 37.62669       61.85980 
1 1 1 -34 7  4  o 387.9236 16.75923 4639.316       380.3864 4226.056       471.0425 5414.005       644.9300 363.6054 22.19489 403.0832 27.44515 -39.47775      35.29659 
1 1 1 -34 7  5  o 134.4691 32.45329 649.3896       252.9881 400.4188       295.3416 1335.538       490.2970 104.6735 37.68484 178.4318 46.41822 -73.75829      59.78962 
1 1 1 -34 7  6  o 107.7792 31.99508 417.6935       216.8688 449.5188       286.4666 374.9655       331.9286 109.4519 37.27938 102.6010 39.35392 6.850891       54.20778 
1 1 1 -34 7  7  o 80.11137 31.44340 180.3864       215.6635 63.52345       289.4251 326.2786       323.3804 77.09634 33.71473 98.15983 38.51050 -21.06349      51.18341 
1 1 1 -34 7  8  o 80.96275 31.67806 188.9457       218.3168 177.0410       289.4998 204.6426       332.4253 84.68819 35.24584 89.26349 37.50227 -4.575294      51.46542 
1 1 1 -34 7  9  o 77.14319 31.21589 150.2824       219.0567 382.5965       293.2481 -143.0139      329.4964 101.8799 37.42101 69.85880 32.61432 32.02106       49.63895 
1 1 1 -34 7  10 o 162.2708 23.72938 870.3824       219.1520 931.4810       299.7974 800.2664       321.1597 159.9690 33.04918 143.3582 37.70267 16.61078       50.13721 
1 1 1 -34 7  11 o 63.70576 28.19841 3.580703       208.2113 162.4362       278.9548 -196.2431      312.8646 82.05319 34.40587 65.47765 30.94544 16.57554       46.27509 
1 1 1 -34 7  12 o 60.09456 27.12790 -36.60384      203.0588 -12.18552      277.3019 -64.83546      298.1693 70.24284 31.70603 69.55896 31.96217 0.6838760      45.02057 
1 1 1 -34 7  13 o 125.1531 28.38580 556.3854       203.5413 470.1332       277.8693 656.2490       298.9916 108.9536 36.71888 127.7813 37.47277 -18.82767      52.46413 
1 1 1 -34 7  14 o 60.21359 27.12583 -26.53564      201.8288 -45.53545      270.7808 -2.785482      302.7447 67.15689 30.70892 72.51436 32.89053 -5.357468      44.99805 
1 1 1 -34 7  15 o 150.1035 23.71827 759.1307       201.8689 1007.556       273.9084 463.7657       298.6670 168.5196 28.74472 106.5736 37.95135 61.94602       47.60844 
1 1 1 -34 7  16 o 156.3217 21.07919 802.9963       188.3315 725.8204       244.8999 914.6913       294.6216 140.5195 30.58688 155.3455 33.33621 -14.82603      45.24224 
1 1 1 -34 7  17 o 187.7661 17.76194 1123.318       193.2701 961.9777       247.9532 1373.098       308.5167 166.2003 26.31356 197.7637 27.32975 -31.56342      37.93835 
1 1 1 -34 7  18 o 100.5691 29.48026 377.7038       185.0837 230.5178       239.6570 595.2232       291.3439 82.94999 32.96156 118.6640 37.44704 -35.71397      49.88733 
1 1 1 -34 7  19 o 179.3532 17.72628 1030.915       184.0206 1075.457       240.2652 967.7076       286.2121 177.6467 23.64813 160.0917 31.60602 17.55498       39.47372 
1 1 1 -34 7  20 o 87.54650 28.87707 285.2295       172.0256 310.3495       226.0850 250.6888       265.1107 89.64588 32.86901 84.46670 34.28195 5.179184       47.49340 
1 1 1 -34 7  21 o 68.47330 27.44697 134.0199       167.6265 167.7014       224.2863 91.40003       252.2976 75.31955 31.15618 71.40679 31.34533 3.912758       44.19544 
1 1 1 -34 7  22 o 94.30499 28.95282 341.0799       175.4709 379.4276       238.4603 295.7951       259.1334 95.64106 33.92611 87.03754 34.37341 8.603523       48.29609 
1 1 1 -34 7  23 o 105.9534 27.71918 423.5052       174.1909 342.4284       235.6367 521.1961       258.6555 91.23717 33.53889 109.4456 35.36515 -18.20847      48.73962 
1 1 1 -34 7  24 o 76.87407 28.26114 214.1765       167.3164 66.90108       223.1882 403.1447       252.8136 66.37683 29.29625 96.48010 34.84899 -30.10327      45.52716 
1 1 1 -34 7  25 o 74.49809 27.33457 199.6584       156.4032 124.1428       201.3323 314.5895       248.3785 68.67873 29.03756 87.13136 33.87534 -18.45263      44.61747 
1 1 1 -34 7  26 o 66.25543 25.87173 139.9458       145.3807 96.82570       180.9259 218.5215       244.2331 64.39169 27.38817 78.04080 32.41740 -13.64911      42.43818 
1 1 1 -34 7  27 o 64.60918 25.53000 128.9203       143.0205 51.45783       183.5793 248.5358       228.1244 60.68517 26.68510 79.99853 32.03534 -19.31336      41.69361 
1 1 1 -34 7  28 o 143.2340 19.37240 692.0922       158.5666 899.2051       222.6736 479.0198       225.8545 157.1757 24.99226 104.8311 32.95582 52.34460       41.36060 
1 1 1 -34 8  1  o 90.41762 37.06566 224.6267       313.6903 253.6985       401.3733 179.0005       502.8282 96.81533 40.96971 97.76506 43.51656 -0.9497299     59.76795 
1 1 1 -34 8  2  o 91.34759 36.83377 244.4091       303.8052 207.6929       384.4401 305.4725       495.7819 93.14360 39.77980 103.3986 44.67936 -10.25503      59.82205 
1 1 1 -34 8  3  o 115.9652 37.99422 512.9611       297.9931 739.8102       365.6222 64.11216       514.2971 135.4373 41.83113 93.32289 42.53904 42.11444       59.66082 
1 1 1 -34 8  4  o 468.9410 16.60900 6777.945       456.0641 6128.600       569.8608 7934.809       760.6276 437.4807 22.28396 489.2843 26.60710 -51.80365      34.70609 
1 1 1 -34 8  5  o 107.9239 33.30996 424.3414       231.8845 386.5375       319.1987 466.5867       337.4286 103.2526 38.82615 110.3627 40.20378 -7.110069      55.89109 
1 1 1 -34 8  6  o 98.66593 32.35836 347.2535       216.1215 364.1547       291.2606 326.5468       322.3881 100.6572 37.23760 98.03819 38.45478 2.618980       53.52951 
1 1 1 -34 8  7  o 55.69469 25.91037 -122.1672      205.0645 -177.7594      264.6588 -38.65542      324.3795 61.11623 28.75434 74.36153 33.85248 -13.24531      44.41624 
1 1 1 -34 8  8  o 133.2671 27.80164 613.8234       210.2520 502.1136       277.6866 763.9037       321.8630 114.3988 36.61286 139.8476 38.17978 -25.44875      52.89798 
1 1 1 -34 8  9  o 57.53804 26.24013 -65.41941      195.9957 140.2970       261.1851 -330.5726      296.5257 79.41189 33.29475 58.77562 28.39780 20.63626       43.76043 
1 1 1 -34 8  10 o 63.20078 27.59176 22.25683       193.1387 -46.15928      252.1693 119.3434       300.3949 65.87472 29.93368 80.62457 34.80815 -14.74986      45.90896 
1 1 1 -34 8  11 o 149.4077 24.82973 751.9076       209.9348 769.1245       290.9713 733.2143       303.1908 142.1276 35.11480 136.7805 36.93624 5.347122       50.96405 
1 1 1 -34 8  12 o 80.52553 30.57718 206.7556       199.0903 114.6760       263.6082 329.0157       303.7526 76.80022 32.87354 95.49642 37.36549 -18.69621      49.76795 
1 1 1 -34 8  13 o 59.84755 26.89974 -23.75364      197.2087 27.74400       262.3423 -90.66518      299.0372 70.61038 31.43089 67.88454 31.48106 2.725845       44.48549 
1 1 1 -34 8  14 o 52.71189 24.77866 -136.4190      195.7815 -175.3102      254.0540 -79.54992      307.2127 58.77785 27.81087 68.97128 31.95848 -10.19344      42.36496 
1 1 1 -34 8  15 o 187.2043 19.25337 1127.365       208.3743 1362.749       283.1005 849.0778       307.8206 200.6941 24.56367 146.5824 36.05898 54.11174       43.63054 
1 1 1 -34 8  16 o 204.9228 18.46919 1343.130       219.5877 1424.198       296.9604 1245.324       326.1799 203.9125 25.37930 184.0231 31.34524 19.88943       40.33154 
1 1 1 -34 8  17 o 203.5174 17.19476 1313.713       203.3150 1141.558       261.7272 1575.691       322.8648 182.1702 25.16922 212.7330 26.44771 -30.56277      36.50988 
1 1 1 -34 8  18 f 170.5795 18.47216 937.9177       181.8517 859.1296       235.1059 1055.259       286.9184 156.0661 26.64202 169.6821 29.92510 -13.61601      40.06631 
1 1 1 -34 8  19 f 102.7370 28.31315 392.2918       176.0543 135.4891       225.0283 797.5142       282.6728 73.28044 30.82537 141.2252 34.44232 -67.94475      46.22204 
1 1 1 -34 8  20 o 129.9121 24.72940 592.5994       181.5337 649.1347       238.3662 514.5282       280.1111 129.2209 31.69716 108.8880 36.86634 20.33292       48.61930 
1 1 1 -34 8  21 o 83.96669 28.87016 262.5103       171.8972 454.9756       225.5435 -4.223653      265.5175 105.7605 32.88643 66.60746 30.43923 39.15304       44.81142 
1 1 1 -34 8  22 o 70.83317 27.97247 157.7601       171.6012 321.2395       234.4283 -30.95165      251.8709 89.33117 33.33886 63.48808 29.24654 25.84309       44.34906 
1 1 1 -34 8  23 o 90.98526 28.52999 318.0825       169.3722 387.8154       228.6041 233.2212       252.1853 96.37215 33.28674 80.92670 33.21098 15.44544       47.02102 
1 1 1 -34 8  24 o 91.70917 27.74710 321.6075       161.9438 326.1029       208.3909 314.7537       257.3160 89.71416 31.72539 87.59091 34.35580 2.123245       46.76346 
1 1 1 -34 8  25 o 79.01762 27.56734 234.6414       156.9805 281.5290       205.8304 169.4477       242.7076 84.06274 31.26528 74.49773 31.70533 9.565010       44.52803 
1 1 1 -34 8  26 o 74.20737 26.89844 201.1522       150.7862 453.5919       193.9708 -184.3609      239.7050 106.1634 29.89203 53.99525 25.94712 52.16818       39.58265 
1 1 1 -34 8  27 o 75.55928 26.53857 212.2628       145.6351 266.8100       187.0762 128.3544       232.0251 81.99618 29.92544 70.22221 30.45398 11.77396       42.69633 
1 1 1 -34 8  28 o 60.69016 24.94360 97.51456       142.5319 78.14298       178.6458 131.4435       236.4259 62.05536 26.81729 70.24364 30.59930 -8.188286      40.68765 
1 1 1 -34 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -34 9  2  o 136.6829 35.53242 697.5884       287.4322 369.6863       347.7200 1405.058       510.7536 102.3459 39.99800 181.0781 47.50966 -78.73223      62.10481 
1 1 1 -34 9  3  o 193.7955 45.78065 1559.549       511.9904 0.000000       0.000000 1559.549       511.9904 ?        ?        193.7955 45.78065 0.000000       45.78065 
1 1 1 -34 9  4  o 362.0781 14.37619 3998.509       304.6719 3856.231       447.1249 4121.829       416.2701 346.6125 22.11080 361.5903 19.70390 -14.97775      29.61640 
1 1 1 -34 9  5  o 495.8328 13.46497 7462.085       391.1910 5961.239       563.1840 8861.300       543.7813 430.4591 22.38528 534.3938 17.37361 -103.9347      28.33625 
1 1 1 -34 9  6  o 143.3018 27.98957 707.5878       226.7922 530.6060       304.8860 926.8274       339.3382 116.4646 38.44494 155.4981 37.62202 -39.03347      53.79062 
1 1 1 -34 9  7  o 71.50178 29.62818 104.3074       203.3105 219.6447       266.1419 -57.32250      315.0569 86.31223 34.58887 72.29194 33.08250 14.02029       47.86274 
1 1 1 -34 9  8  o 53.29576 24.91848 -130.0356      193.5112 -209.4019      244.6953 2.470157       316.1731 56.84220 27.01095 75.27314 33.92694 -18.43094      43.36621 
1 1 1 -34 9  9  o 111.3500 29.34149 442.9730       194.2662 254.8378       254.6471 704.9135       300.4727 88.40062 34.31929 134.4433 36.96399 -46.04268      50.43957 
1 1 1 -34 9  10 f 179.0681 19.98874 1029.076       206.3443 1297.073       281.6889 718.7531       303.1180 196.7516 24.97375 135.1761 37.11081 61.57545       44.73142 
1 1 1 -34 9  11 o 153.8171 22.32867 779.9602       195.5467 643.3770       254.7771 975.7674       305.0536 130.8711 33.15998 162.3619 33.15853 -31.49075      46.89427 
1 1 1 -34 9  12 o 117.4517 28.58248 494.1368       194.9909 450.2435       254.0671 557.0458       304.1622 107.5421 35.07290 116.4897 38.39688 -8.947647      52.00412 
1 1 1 -34 9  13 o 116.2210 29.07876 489.1043       197.6983 596.2388       257.4368 335.0974       308.6570 124.0711 34.25481 95.29701 37.55185 28.77412       50.82847 
1 1 1 -34 9  14 o 83.14840 30.37227 237.7115       192.7660 380.0814       253.4690 42.41028       296.8715 99.13489 34.99503 74.17081 33.19660 24.96407       48.23553 
1 1 1 -34 9  15 o 97.40347 30.87066 354.3898       197.8068 428.9810       260.7796 253.3260       303.5483 103.7786 35.56330 88.03173 36.31374 15.74683       50.82752 
1 1 1 -34 9  16 o 205.2636 17.88975 1342.965       213.2113 1133.132       285.0197 1609.583       321.2790 178.5684 28.14671 215.9306 25.88511 -37.36227      38.23973 
1 1 1 -34 9  17 o 139.9809 25.27001 681.2800       199.8232 529.2790       275.3871 850.3000       290.3952 112.7635 36.49554 147.3542 34.25482 -34.59064      50.05314 
1 1 1 -34 9  18 o 232.9300 14.65539 1689.425       199.1895 1603.675       259.9339 1811.419       310.0355 221.1969 20.26187 231.5743 23.13758 -10.37740      30.75534 
1 1 1 -34 9  19 o 151.9132 20.93624 769.1192       181.5735 524.1258       236.1143 1123.676       284.0456 114.2153 33.24601 175.7296 28.53909 -61.51425      43.81525 
1 1 1 -34 9  20 o 117.0614 26.11894 494.2070       174.7588 670.2521       236.9759 284.3254       258.7495 131.7709 31.15778 86.72884 34.31763 45.04206       46.35199 
1 1 1 -34 9  21 o 69.77558 28.06592 143.6772       175.9132 152.0986       231.0470 132.0625       271.3398 74.00608 31.18867 74.95369 32.71376 -0.9476089     45.19872 
1 1 1 -34 9  22 o 47.16763 22.41652 -138.7363      168.6386 58.83706       220.2440 -418.7172      262.1828 65.87200 29.08665 49.50381 24.48340 16.36819       38.01934 
1 1 1 -34 9  23 o 54.99385 24.61985 -1.650405      163.3994 -78.28596      212.0527 110.3615       256.3661 56.33584 26.25545 71.87616 31.57274 -15.54032      41.06321 
1 1 1 -34 9  24 o 252.1183 12.57811 1967.247       185.3944 2063.847       255.3750 1859.604       269.5756 252.3784 17.35918 236.4667 19.61471 15.91168       26.19309 
1 1 1 -34 9  25 o 61.15235 25.74329 83.87788       157.1346 71.52206       208.8901 99.98239       238.4822 64.81138 28.48358 69.06066 30.38975 -4.249283      41.65155 
1 1 1 -34 9  26 o 54.89657 24.24308 21.70140       153.0423 193.6481       196.6350 -242.5007      243.7428 74.24197 29.73813 52.18330 25.33885 22.05867       39.06934 
1 1 1 -34 9  27 o 136.3749 21.06210 641.2706       163.0355 847.2505       201.6537 252.5173       277.0327 155.0504 22.86112 80.82722 34.11224 74.22318       41.06429 
1 1 1 -34 9  28 o 49.31020 22.73863 -46.94128      152.8060 113.5284       190.2283 -338.8214      256.5553 65.80496 28.03954 50.04263 24.64959 15.76233       37.33387 
1 1 1 -34 10 1  o 57.93430 27.65455 -246.0733      262.4860 -109.8817      305.9294 -626.0642      511.0139 69.11666 31.97891 71.86264 35.27623 -2.745979      47.61368 
1 1 1 -34 10 2  o 143.1129 33.53519 748.6666       276.5215 888.4418       331.2980 427.6564       502.0686 152.6559 37.32212 108.6311 45.88845 44.02481       59.14973 
1 1 1 -34 10 3  f 213.0008 23.33908 1480.544       286.7834 1455.943       348.2668 1532.363       505.4555 204.9856 29.84505 191.2213 45.69565 13.76430       54.57856 
1 1 1 -34 10 4  o 350.1294 13.88004 3733.861       284.4516 3429.549       416.8733 3998.991       389.1107 326.6582 21.88634 357.0911 18.64450 -30.43286      28.75116 
1 1 1 -34 10 5  o 82.96188 38.51354 -66.48515      449.3557 0.000000       0.000000 -66.48515      449.3557 ?        ?        82.96188 38.51354 0.000000       38.51354 
1 1 1 -34 10 6  f 196.6416 19.28013 1226.659       219.4945 781.3378       291.5721 1809.088       333.4500 144.4874 34.82080 233.7526 24.69631 -89.26520      42.68953 
1 1 1 -34 10 7  o 59.64983 26.80891 -31.93959      195.8392 -172.1093      260.1919 151.2467       297.4494 60.47060 28.46922 82.65943 35.13612 -22.18884      45.22216 
1 1 1 -34 10 8  o 175.0276 30.61492 1087.395       302.8224 0.000000       0.000000 1087.395       302.8224 ?        ?        175.0276 30.61492 0.000000       30.61492 
1 1 1 -34 10 9  o 66.44160 28.22324 66.65858       191.6961 182.1255       248.1044 -104.3766      301.9594 81.22413 33.09047 68.03459 31.57952 13.18954       45.74107 
1 1 1 -34 10 10 o 109.0054 29.69711 431.0435       194.9685 118.6275       252.4717 892.6103       306.8763 76.20383 32.38062 153.1765 34.93647 -76.97270      47.63467 
1 1 1 -34 10 11 o 54.61623 25.06348 -71.63654      182.5333 15.21643       237.4778 -197.0327      285.3466 67.33694 29.94323 61.78075 29.30284 5.556194       41.89574 
1 1 1 -34 10 12 o 133.6032 26.78924 623.1550       202.5945 682.7397       272.2573 549.2232       303.2688 132.8331 34.60672 115.3315 38.35262 17.50157       51.65799 
1 1 1 -34 10 13 o 83.24122 30.30423 238.2952       191.6706 340.8986       245.7864 79.06944       306.1849 95.15514 34.36248 77.07707 34.15213 18.07807       48.44737 
1 1 1 -34 10 14 o 66.99035 28.21418 85.15736       188.8875 182.3406       241.8542 -66.81974      302.4455 79.63243 32.58394 68.80969 31.82261 10.82274       45.54548 
1 1 1 -34 10 15 o 112.9252 29.33307 469.9495       195.9882 605.4741       257.4824 283.2706       302.1941 123.9325 34.27382 89.88122 36.55618 34.05128       50.11037 
1 1 1 -34 10 16 o 66.81689 28.12403 89.68226       187.5014 138.9465       249.5747 25.84436       284.1019 75.97094 32.23449 71.31660 32.15046 4.654335       45.52708 
1 1 1 -34 10 17 f 216.8788 16.66955 1488.557       210.4017 1278.365       286.9569 1732.938       309.4167 191.0259 26.31197 226.0029 23.69613 -34.97697      35.40942 
1 1 1 -34 10 18 o 122.5369 28.00227 550.1332       196.8283 390.7465       268.5028 735.2736       289.3832 97.45185 35.80521 133.0696 36.14968 -35.61776      50.88037 
1 1 1 -34 10 19 o 199.6052 16.07919 1261.878       186.6375 1438.259       250.4662 1041.663       279.8645 208.1710 20.79324 167.6186 29.54853 40.55235       36.13136 
1 1 1 -34 10 20 o 55.42865 24.93892 -13.63443      169.9908 -60.22179      218.9962 56.98756       269.6326 58.69672 27.12204 70.39548 31.56206 -11.69875      41.61452 
1 1 1 -34 10 21 o 137.6597 22.82199 654.5884       177.8016 594.3962       236.3520 733.0615       269.8666 121.2658 32.55327 133.1440 34.33730 -11.87817      47.31560 
1 1 1 -34 10 22 o 57.66984 25.24340 31.92541       162.5930 -10.66001      211.0156 94.15527       255.0842 60.25835 27.38190 70.90314 31.30575 -10.64480      41.59109 
1 1 1 -34 10 23 o 291.8376 12.57117 2631.151       214.6584 2673.216       304.1508 2589.405       302.9982 286.3504 18.20519 281.4176 18.46047 4.932739       25.92717 
1 1 1 -34 10 24 o 119.3323 23.28790 504.2654       157.1290 533.1209       200.6646 458.5288       252.6319 116.7455 29.34477 101.4307 34.99423 15.31479       45.66959 
1 1 1 -34 10 25 o 43.31008 20.91035 -179.1403      160.0594 -104.8534      207.5120 -288.2524      251.4916 53.79722 25.35728 51.58022 25.19917 2.217007       35.74898 
1 1 1 -34 10 26 o 102.7921 27.43301 408.0489       168.4555 343.7198       208.0822 530.3927       286.9603 90.43168 31.72521 104.8595 37.21458 -14.42785      48.90209 
1 1 1 -34 10 27 o 91.05070 28.08721 328.5402       164.8958 264.2917       198.9241 469.6489       294.8038 81.19357 30.62459 97.77825 37.18944 -16.58469      48.17593 
1 1 1 -34 11 1  o 137.0858 31.72465 677.9938       250.0027 376.6906       287.2668 1618.606       507.5618 101.1655 37.05733 197.2837 44.88283 -96.11819      58.20407 
1 1 1 -34 11 2  o 103.2905 34.87620 395.8515       250.6797 617.8303       291.4977 -234.4625      491.1994 126.2310 36.99527 80.09116 38.11870 46.13984       53.11954 
1 1 1 -34 11 3  o 114.8405 31.98796 482.3892       223.4018 546.4614       297.9914 400.1650       337.5738 117.9321 37.94600 103.4181 39.68212 14.51408       54.90509 
1 1 1 -34 11 4  o 274.0483 15.37310 2313.044       246.0903 2297.452       355.7184 2327.356       340.8086 265.3619 23.08645 268.5150 21.82985 -3.153168      31.77305 
1 1 1 -34 11 5  o 226.4267 17.11548 1600.505       225.6002 1262.813       302.9903 2020.647       337.9604 191.9831 27.71119 248.1573 23.50144 -56.17418      36.33493 
1 1 1 -34 11 6  o 98.43063 30.71204 349.6709       196.5225 290.6129       265.5272 421.2088       292.2385 92.00188 35.22087 104.6728 37.51070 -12.67093      51.45446 
1 1 1 -34 11 7  o 82.22994 37.75476 -0.1505059     414.9169 0.000000       0.000000 -0.1505059     414.9169 ?        ?        82.22994 37.75476 0.000000       37.75476 
1 1 1 -34 11 8  o 201.2237 17.67436 1275.416       206.4633 1326.006       272.6705 1207.435       316.0822 199.9095 23.71874 184.3221 30.29094 15.58736       38.47232 
1 1 1 -34 11 9  o 81.58479 29.33846 223.2595       178.9454 245.9361       225.7388 184.9135       293.5462 85.71033 32.55620 83.81900 35.22956 1.891335       47.96903 
1 1 1 -34 11 10 o 115.4673 27.37276 471.1054       182.5246 609.3795       232.5781 249.3916       294.5065 128.6577 31.15811 88.42175 36.04121 40.23596       47.64238 
1 1 1 -34 11 11 o 58.96808 25.95585 8.052224       174.0822 71.59859       216.0140 -109.6768      294.0211 68.95390 29.64083 66.37760 30.92902 2.576302       42.83904 
1 1 1 -34 11 12 o 47.66259 22.75793 -179.4958      178.0300 -217.3068      222.2253 -111.7488      297.4608 52.68268 25.22825 66.47491 31.01924 -13.79223      39.98322 
1 1 1 -34 11 13 o 155.8718 21.83801 804.0311       194.1628 868.3522       253.3408 712.4661       302.2685 155.9722 28.75453 132.0419 37.36239 23.93027       47.14627 
1 1 1 -34 11 14 o 49.93292 23.80573 -178.8751      193.2590 41.99088       257.9093 -461.6876      291.8448 70.30569 31.23746 53.02779 26.15249 17.27790       40.73980 
1 1 1 -34 11 15 o 146.9624 23.29960 731.4857       194.1276 675.9615       256.2946 806.2127       297.3287 132.1372 33.13596 141.7981 35.76385 -9.660950      48.75495 
1 1 1 -34 11 16 o 124.9452 27.03673 559.2209       192.3553 651.8447       252.4439 430.9951       297.0238 129.1573 33.15936 101.4694 37.59211 27.68786       50.12694 
1 1 1 -34 11 17 o 105.5857 30.12284 424.6708       195.6725 386.7299       258.3686 475.7014       299.6414 97.48985 35.22762 104.8075 37.92820 -7.317673      51.76421 
1 1 1 -34 11 18 o 234.8954 15.83346 1739.939       216.8484 1356.745       296.5641 2180.211       317.8848 195.5889 26.53772 255.9156 21.37487 -60.32669      34.07544 
1 1 1 -34 11 19 o 62.88101 27.00360 65.05655       178.9514 85.44674       242.5750 40.70939       265.0694 70.25747 30.79116 69.24429 31.14953 1.013184       43.79942 
1 1 1 -34 11 20 o 147.1382 20.08684 721.2580       168.8144 845.9728       215.4124 522.7479       271.7709 155.2996 24.45921 109.1471 36.30664 46.15248       43.77699 
1 1 1 -34 11 21 o 50.04860 23.07717 -60.24319      157.3421 -74.56892      207.6786 -40.94103      241.0662 56.18215 26.11605 61.79280 28.51821 -5.610653      38.66958 
1 1 1 -34 11 22 o 56.06100 24.71057 20.15409       158.2917 145.6524       202.0484 -179.2791      254.7037 71.11162 29.50745 56.58566 27.07352 14.52596       40.04579 
1 1 1 -34 11 23 o 70.68893 26.83225 169.5065       153.2758 72.19552       193.6757 332.6086       250.7402 63.89907 27.76685 88.98867 34.18586 -25.08960      44.04169 
1 1 1 -34 11 24 o 79.57522 27.73419 239.9466       158.8646 225.3766       198.8997 265.6196       264.0234 77.84469 30.30017 82.44275 33.92319 -4.598061      45.48498 
1 1 1 -34 11 25 o 50.48664 23.47662 -68.89633      168.0469 -166.1072      208.5165 111.2431       283.8491 50.95785 24.41174 72.28529 32.39839 -21.32743      40.56586 
1 1 1 -34 11 26 o 56.12121 25.03797 15.78203       167.4551 -72.62987      208.5050 176.4220       281.0528 55.39584 25.88909 75.82658 33.18994 -20.43074      42.09296 
1 1 1 -34 11 27 o 52.00040 23.79167 -28.97224      162.8337 -5.169021      209.8751 -64.96992      258.0954 59.04230 27.01241 60.49425 28.44104 -1.451950      39.22453 
1 1 1 -34 12 1  o 55.63268 26.46028 -206.9062      235.8911 -29.63574      270.3559 -772.2604      482.8119 68.81792 31.16103 65.77222 32.65092 3.045700       45.13416 
1 1 1 -34 12 2  o 189.1322 22.69821 1171.430       246.7479 1029.212       283.2410 1619.125       502.5398 171.6076 29.18695 196.1626 44.68383 -24.55502      53.37155 
1 1 1 -34 12 3  o 308.1935 14.31528 2909.640       258.0393 2915.723       350.5242 2902.443       381.2551 302.6375 19.85870 299.4829 21.85715 3.154633       29.53139 
1 1 1 -34 12 4  o 102.0535 31.40551 381.0616       206.3099 515.7796       266.2202 178.5105       326.4341 115.4008 35.70363 85.89640 36.66957 29.50442       51.18014 
1 1 1 -34 12 5  o 148.0907 25.30587 742.8860       211.8973 993.9337       284.6357 430.7850       317.3648 167.3633 30.10550 104.9020 38.85907 62.46124       49.15657 
1 1 1 -34 12 6  o 272.1666 20.61433 2381.347       326.5976 0.000000       0.000000 2381.347       326.5976 ?        ?        272.1666 20.61433 0.000000       20.61433 
1 1 1 -34 12 7  o 136.6537 25.63718 638.9992       197.9217 788.7830       261.2597 437.2544       303.2084 147.3293 31.20869 105.1659 38.13991 42.16341       49.28118 
1 1 1 -34 12 8  o 65.22225 27.84940 59.84644       188.3539 158.1544       248.1505 -73.77419      289.3061 78.82203 32.70344 67.85466 31.28923 10.96737       45.26070 
1 1 1 -34 12 9  o 79.29214 30.16120 200.1084       193.9173 44.84014       254.4707 415.1505       299.4734 70.95011 31.29977 102.6062 37.79426 -31.65611      49.07221 
1 1 1 -34 12 10 o 69.71332 28.48459 115.7053       184.5013 246.9209       240.1546 -73.29222      288.2215 85.86867 33.33060 67.49526 31.16172 18.37341       45.62874 
1 1 1 -34 12 11 o 159.3504 19.86241 822.4437       181.6058 963.8325       232.8583 602.9248       290.1486 169.0315 24.17733 121.6203 37.21011 47.41116       44.37495 
1 1 1 -34 12 12 o 139.2904 23.21225 653.3813       182.9524 686.2318       231.9707 599.3195       297.5832 137.4098 29.65572 120.1096 37.83828 17.30019       48.07491 
1 1 1 -34 12 13 o 69.03007 28.00266 120.7362       176.7833 297.2368       225.7827 -158.9047      284.1959 89.85434 32.86288 62.58275 29.55202 27.27159       44.19605 
1 1 1 -34 12 14 o 44.07383 21.44687 -249.8896      177.1484 -99.12222      226.2266 -488.8821      284.8277 58.46643 27.20479 51.33263 25.41147 7.133797       37.22692 
1 1 1 -34 12 15 o 196.9509 18.24080 1244.876       208.3006 1438.739       289.4844 1036.733       299.9577 205.0086 24.56559 165.8628 31.99555 39.14581       40.33836 
1 1 1 -34 12 16 o 63.50280 27.29568 61.29141       183.1604 207.3153       235.0562 -164.4206      292.2382 80.12299 32.36662 62.46143 29.63410 17.66156       43.88369 
1 1 1 -34 12 17 o 222.7257 16.13089 1568.128       209.2793 1794.336       293.0906 1332.822       298.9269 231.5912 21.83667 193.2785 27.11611 38.31276       34.81556 
1 1 1 -34 12 18 o 161.5893 21.75552 879.9314       200.9401 823.9717       270.2097 949.1634       300.5501 145.1448 32.54795 154.1657 34.14236 -9.020905      47.17065 
1 1 1 -34 12 19 o 215.5599 16.46018 1480.896       206.5171 1038.743       278.2293 2023.367       308.1805 166.6050 29.55739 245.2532 21.64795 -78.64821      36.63705 
1 1 1 -34 12 20 o 97.78383 28.19936 363.7386       170.5966 351.2243       224.7072 380.7654       262.1083 92.80550 32.93195 94.67619 35.26823 -1.870689      48.25310 
1 1 1 -34 12 21 o 142.0087 20.60686 679.4292       166.6165 773.4167       213.3199 532.3853       266.8208 146.6577 25.73979 109.7845 35.95110 36.87328       44.21559 
1 1 1 -34 12 22 o 44.26464 21.15141 -145.9839      154.3973 -368.3259      198.9199 190.9591       244.8756 42.43081 21.04539 76.82964 32.22701 -34.39884      38.49010 
1 1 1 -34 12 23 o 83.25674 27.55092 264.5133       156.5480 202.9150       191.5888 388.2622       271.5540 75.53827 29.64005 93.26397 35.63955 -17.72570      46.35418 
1 1 1 -34 12 24 o 58.52410 25.50094 47.36786       164.2982 -145.3112      200.1738 445.1417       287.6128 50.89176 24.25309 97.24122 36.79124 -46.34946      44.06595 
1 1 1 -34 12 25 o 205.4171 16.80513 1369.181       200.6872 1082.383       273.7201 1702.565       295.1152 168.1489 28.79115 220.0250 23.21995 -51.87607      36.98779 
1 1 1 -34 12 26 o 48.38935 22.70027 -87.63668      162.8666 -157.1676      212.7802 10.72885       253.0835 51.64986 24.72095 64.08351 29.44639 -12.43365      38.44757 
1 1 1 -34 13 1  o 83.88842 32.42534 223.6728       226.5702 429.1896       259.9064 -426.8665      462.4131 105.8095 35.51126 71.62216 34.80618 34.18731       49.72444 
1 1 1 -34 13 2  o 116.2360 31.44404 497.2629       219.4958 581.3983       251.8629 231.5718       447.5724 124.0163 33.73928 94.47944 41.60161 29.53683       53.56335 
1 1 1 -34 13 3  o 60.45552 26.73346 0.7211816      186.6941 29.01629       229.7224 -54.32043      320.4005 67.74384 29.81775 72.13326 33.14036 -4.389412      44.58006 
1 1 1 -34 13 4  f 91.66046 30.75400 300.6661       194.9354 342.4398       242.9543 225.1728       326.6081 96.34168 34.23730 88.59373 37.19377 7.747948       50.55264 
1 1 1 -34 13 5  o 262.5772 15.20344 2130.539       233.1247 2066.247       313.3230 2210.269       348.9181 252.4377 21.36392 258.9303 23.22321 -6.492630      31.55527 
1 1 1 -34 13 6  o 132.9315 27.67463 620.3262       208.7310 551.7429       267.3721 727.3520       334.0038 118.6272 35.60034 132.1587 39.81877 -13.53156      53.41272 
1 1 1 -34 13 7  o 97.61565 30.85337 349.7544       197.7057 338.4649       257.3438 366.0149       308.8457 95.49320 35.05868 98.33767 37.89822 -2.844467      51.62738 
1 1 1 -34 13 8  o 111.3172 27.63583 440.7447       179.5827 311.4995       227.4438 654.7070       292.6413 92.38203 33.09370 127.6816 36.96751 -35.29955      49.61643 
1 1 1 -34 13 9  o 63.15717 26.73454 62.04235       170.9961 186.2158       215.3245 -149.9745      281.3613 78.83323 31.26997 63.15122 29.69179 15.68201       43.12092 
1 1 1 -34 13 10 o 233.0270 24.02859 1821.581       323.6832 0.000000       0.000000 1821.581       323.6832 ?        ?        233.0270 24.02859 0.000000       24.02859 
1 1 1 -34 13 11 o 128.2091 24.51150 563.7818       177.5905 598.3243       224.4539 505.9609       290.3976 127.2019 30.48528 110.6177 37.53638 16.58414       48.35631 
1 1 1 -34 13 12 o 108.6134 29.50092 436.3746       192.7430 368.1668       253.9147 529.1143       296.0764 97.16463 34.94703 112.2136 37.90279 -15.04894      51.55499 
1 1 1 -34 13 13 f 123.3778 25.85987 534.7428       181.1232 420.4718       223.8729 751.2635       308.1650 103.9118 32.83023 134.3902 37.61946 -30.47842      49.93044 
1 1 1 -34 13 14 o 59.19884 26.00269 19.93732       173.8688 139.5010       219.3320 -182.2562      285.2239 73.67850 30.67236 61.28148 29.13240 12.39702       42.30237 
1 1 1 -34 13 15 o 115.0535 27.51646 482.0358       183.1640 727.2084       237.3112 120.7626       288.0714 139.9011 29.83439 76.65505 33.57592 63.24604       44.91584 
1 1 1 -34 13 16 o 177.0605 20.18203 1033.196       205.8364 1133.712       281.3062 917.3585       301.9861 177.1971 27.99795 151.2592 34.77063 25.93788       44.64170 
1 1 1 -34 13 17 o 137.9145 23.62932 657.4519       184.2501 710.8417       231.0309 564.1558       305.4027 137.8804 29.46455 112.0196 38.48267 25.86083       48.46725 
1 1 1 -34 13 18 o 169.1172 23.47990 986.6436       226.6080 1023.437       261.7598 876.5835       452.7208 167.8109 27.55234 125.0693 46.39654 42.74155       53.96082 
1 1 1 -34 13 19 o 66.64194 27.55119 114.0933       175.2517 140.6683       230.9289 78.00227       269.1175 72.94046 30.98016 71.22526 31.76110 1.715202       44.36820 
1 1 1 -34 13 20 o 49.97943 23.08485 -63.46437      158.4226 -69.19687      205.9873 -55.16389      247.8677 56.23861 26.09678 61.69368 28.62776 -5.455067      38.73746 
1 1 1 -34 13 21 o 91.56850 28.99176 326.0084       174.5002 536.9214       230.7729 44.39738       266.6600 113.9362 32.77964 68.48807 30.98582 45.44809       45.10683 
1 1 1 -34 13 22 o 58.71930 25.24799 56.08656       156.8093 45.92076       190.6193 77.36669       275.7930 61.50222 27.11252 70.55122 31.75235 -9.049007      41.75285 
1 1 1 -34 13 23 o 46.60596 21.85006 -89.72068      150.4949 -137.6279      179.4368 23.90990       276.3494 48.42101 23.04373 67.29119 30.86480 -18.87018      38.51817 
1 1 1 -34 13 24 o 82.46493 28.55886 264.9171       168.3220 373.2162       211.4200 77.43476       278.1723 93.94414 32.02560 70.05062 31.67456 23.89352       45.04349 
1 1 1 -34 13 25 o 82.09892 28.33132 263.3175       165.5916 218.4550       211.6761 334.0723       265.8323 76.85143 30.83018 87.40634 34.72059 -10.55491      46.43295 
1 1 1 -34 14 1  o 118.4243 46.17809 643.8644       462.6321 0.000000       0.000000 643.8644       462.6321 ?        ?        118.4243 46.17809 0.000000       46.17809 
1 1 1 -34 14 2  o 53.32976 24.93232 -123.7666      193.6601 -12.82554      237.2148 -345.4770      335.3426 65.71127 29.52153 62.08533 30.04591 3.625938       42.12217 
1 1 1 -34 14 3  o 53.79259 24.98615 -104.0253      189.5359 81.80634       233.8277 -460.0386      323.6452 71.78522 30.84808 57.33752 28.13136 14.44770       41.74898 
1 1 1 -34 14 4  f 85.06124 30.31909 249.6075       190.6613 260.6374       233.1964 227.3678       331.1316 87.37288 33.11230 88.60554 37.33931 -1.232658      49.90640 
1 1 1 -34 14 5  o 471.8733 17.52641 6989.142       484.1876 0.000000       0.000000 6989.142       484.1876 ?        ?        471.8733 17.52641 0.000000       17.52641 
1 1 1 -34 14 6  o 188.5175 18.91745 1135.419       206.3297 1316.421       263.3003 847.4150       332.1313 199.4222 22.92944 144.4183 38.50994 55.00397       44.81936 
1 1 1 -34 14 7  o 103.5409 29.01887 389.3296       183.2489 495.7150       226.1328 185.8398       312.7474 114.5233 32.28546 84.40955 35.95931 30.11378       48.32621 
1 1 1 -34 14 8  o 68.90978 27.95584 116.6192       176.2070 163.9258       221.7411 35.55960       290.2603 77.01700 31.31786 73.29105 32.81224 3.725945       45.35913 
1 1 1 -34 14 9  o 116.2947 28.67217 489.9763       194.2981 683.3191       256.9390 231.7489       296.9389 134.0105 32.93105 86.35883 35.79731 47.65166       48.64053 
1 1 1 -34 14 10 o 54.52616 24.64058 -35.17547      168.0546 23.03114       205.6417 -152.2104      291.5969 63.74411 28.12823 63.74625 30.05046 -0.2140045E-02 41.16100 
1 1 1 -34 14 11 o 97.34519 28.45936 346.4908       172.6858 285.2452       212.6536 465.0772       295.9053 88.36694 31.95563 105.7232 37.76162 -17.35629      49.46819 
1 1 1 -34 14 12 o 86.20164 35.88348 240.3752       300.1629 0.000000       0.000000 240.3752       300.1629 ?        ?        86.20164 35.88348 0.000000       35.88348 
1 1 1 -34 14 13 o 73.23504 28.50863 165.3874       176.0879 147.7456       220.2036 196.6765       293.2580 74.37843 30.82864 82.31672 34.93502 -7.938286      46.59250 
1 1 1 -34 14 14 o 83.58846 29.45149 253.4254       179.4612 23.11997       224.9761 656.3654       297.5806 65.10955 29.03647 123.6966 37.65201 -58.58702      47.54777 
1 1 1 -34 14 15 f 97.30799 29.35799 358.5492       181.4752 426.1505       230.0235 247.1076       295.3373 102.8067 33.36093 85.16689 35.53431 17.63985       48.74053 
1 1 1 -34 14 16 o 59.82463 26.06890 37.17787       171.7159 169.7956       212.5615 -211.9562      291.3401 75.05454 30.60922 60.08825 28.80426 14.96630       42.03106 
1 1 1 -34 14 17 o 113.2958 27.93582 478.3929       184.4315 537.1578       238.3066 390.6264       291.2335 114.5946 33.41247 95.63483 36.81611 18.95976       49.71739 
1 1 1 -34 14 18 o 95.34451 28.08607 344.3167       167.6425 324.1008       217.8838 373.6489       262.4532 90.16214 32.37962 94.21382 35.25232 -4.051682      47.86613 
1 1 1 -34 14 19 f 248.3628 27.95543 2261.505       400.1317 0.000000       0.000000 2261.505       400.1317 ?        ?        248.3628 27.95543 0.000000       27.95543 
1 1 1 -34 14 20 o 127.1389 25.05957 580.0725       180.2078 697.9053       250.2606 453.1769       259.7065 131.2833 32.64214 101.5562 35.45610 29.72709       48.19382 
1 1 1 -34 14 21 o 47.57596 22.52522 -122.0224      167.1725 42.66430       215.5049 -370.8607      264.9027 63.77120 28.43051 50.86108 25.05170 12.91012       37.89303 
1 1 1 -34 14 22 o 63.06967 26.78942 87.98819       172.6970 42.85916       213.9855 172.2909       292.4673 63.34279 28.27877 76.79291 33.72786 -13.45012      44.01428 
1 1 1 -34 14 23 o 54.10289 24.39392 -7.035805      163.6245 -42.01816      198.1413 67.96872       290.1310 56.11059 25.88113 70.39529 32.03469 -14.28469      41.18318 
1 1 1 -34 14 24 o 54.35466 24.33648 4.504058       159.7088 -42.12422      199.4014 87.94335       266.7404 56.12613 25.91505 69.80930 31.33842 -13.68316      40.66555 
1 1 1 -34 14 25 o 164.8356 18.34047 903.8633       174.3024 1048.453       227.0893 696.5394       271.9272 172.0272 23.09127 123.8720 35.56533 48.15520       42.40400 
1 1 1 -34 15 1  o 66.38577 29.39363 19.10128       226.4041 158.0933       258.3456 -441.0352      470.0558 79.41193 33.19133 71.23757 34.72547 8.174362       48.03668 
1 1 1 -34 15 2  o 199.9257 19.12026 1277.795       221.4601 1296.305       285.7758 1249.967       350.3944 195.3473 25.55634 182.8656 33.92056 12.48169       42.47035 
1 1 1 -34 15 3  o 203.5107 17.81219 1310.234       210.4552 1149.744       269.5079 1561.029       336.9048 183.6187 25.73209 211.9209 27.77497 -28.30223      37.86277 
1 1 1 -34 15 4  o 311.1293 13.33343 2959.910       242.7309 2598.255       311.1211 3522.457       388.0261 285.9239 18.65549 331.0604 20.07937 -45.13654      27.40818 
1 1 1 -34 15 5  o 301.3976 13.17265 2776.475       232.2808 2499.422       300.3223 3188.964       366.4477 280.6508 18.34671 314.9925 19.93865 -34.34161      27.09523 
1 1 1 -34 15 6  o 103.2745 28.31206 385.5193       176.5669 150.9160       210.8182 936.7487       323.1523 75.03658 30.52776 154.2255 36.32955 -79.18889      47.45293 
1 1 1 -34 15 7  o 88.56058 30.47387 283.3347       191.5370 135.8848       245.8223 511.1745       305.5721 76.18698 32.14250 110.6348 38.47020 -34.44778      50.13080 
1 1 1 -34 15 8  o 67.02684 28.26625 85.07337       189.9805 126.4503       246.6799 24.75438       297.8389 75.36401 32.01477 72.96795 32.90461 2.396065       45.90924 
1 1 1 -34 15 9  o 53.80321 24.70333 -66.44839      177.6429 186.2875       220.7991 -530.2737      299.1171 78.52563 31.49244 52.07117 25.82348 26.45446       40.72624 
1 1 1 -34 15 10 o 47.08717 22.44770 -165.4204      171.7868 -254.4364      212.2874 3.457100       292.3991 49.39537 23.90493 70.97988 32.24547 -21.58451      40.13996 
1 1 1 -34 15 11 f 85.02349 29.98344 261.3762       186.0334 320.5542       241.3329 174.7157       292.0430 91.71195 33.90189 80.97204 34.62880 10.73991       48.46125 
1 1 1 -34 15 12 o 97.80000 28.40426 353.8677       172.5227 422.9849       216.0134 232.1227       286.6904 104.0907 32.15380 84.50094 35.11338 19.58980       47.61110 
1 1 1 -34 15 13 o 50.95988 23.58250 -77.19727      166.4839 -33.43674      204.0007 -164.4605      288.0752 59.01543 26.85840 61.99375 29.41514 -2.978325      39.83245 
1 1 1 -34 15 14 o 69.54902 33.62479 -262.8932      417.4017 0.000000       0.000000 -262.8932      417.4017 ?        ?        69.54902 33.62479 0.000000       33.62479 
1 1 1 -34 15 15 o 67.75674 28.34649 108.4090       188.6958 239.5040       241.0449 -99.08020      303.2512 82.52090 32.96896 65.74239 30.88340 16.77851       45.17451 
1 1 1 -34 15 16 o 63.19400 26.54671 84.02661       166.5421 110.3506       206.7034 35.31891       281.1712 69.12399 29.33270 70.04696 31.74178 -0.9229736     43.21976 
1 1 1 -34 15 17 o 94.39156 27.61665 334.7935       162.5571 274.0665       204.7358 438.3760       267.3909 84.77776 31.24568 100.5574 35.89840 -15.77969      47.59189 
1 1 1 -34 15 18 o 155.8539 20.60199 814.8704       183.7041 497.3651       236.8572 1294.197       291.0227 109.0825 33.66482 188.9222 27.03580 -79.83967      43.17701 
1 1 1 -34 15 19 o 87.31763 28.04101 289.9180       162.7816 70.04724       205.6066 659.2137       266.4652 65.21749 28.47038 124.2785 35.05040 -59.06097      45.15632 
1 1 1 -34 15 20 o 90.17814 29.26086 319.0104       176.9598 409.1694       230.3456 189.1693       276.4276 98.05383 33.42826 77.85596 33.49979 20.19786       47.32530 
1 1 1 -34 15 21 o 78.75999 28.74699 233.6393       172.6382 -18.01377      218.0155 656.7415       282.6889 59.95288 27.46737 119.9596 36.73375 -60.00670      45.86747 
1 1 1 -34 15 22 f 65.70136 27.51163 112.9543       177.9891 139.4340       236.5159 78.37504       270.2783 71.71208 30.92284 69.80610 31.42374 1.905983       44.08711 
1 1 1 -34 15 23 o 82.62811 29.73771 269.5838       183.8919 56.70086       243.1307 554.1668       281.1085 66.39474 29.85310 108.1436 36.92710 -41.74881      47.48492 
1 1 1 -34 15 24 f 63.19915 26.81641 95.29710       172.7378 21.63580       233.5336 184.2837       256.6799 63.11489 28.72906 75.18653 32.31519 -12.07164      43.23922 
1 1 1 -34 16 1  o 207.1401 29.88168 1532.498       352.5273 0.000000       0.000000 1532.498       352.5273 ?        ?        207.1401 29.88168 0.000000       29.88168 
1 1 1 -34 16 2  o 75.21532 30.05788 160.0609       200.4084 95.23932       250.5522 275.1927       333.9151 73.72917 31.81012 91.17406 37.89150 -17.44489      49.47373 
1 1 1 -34 16 3  o 86.64959 30.20422 267.0935       188.4257 266.4785       231.0822 268.3138       325.4945 87.24481 32.98497 90.29855 37.45905 -3.053734      49.91180 
1 1 1 -34 16 4  o 216.9844 16.46968 1476.987       208.0216 1515.066       258.8410 1407.536       349.5684 215.8019 20.70533 196.2612 31.43044 19.54070       37.63752 
1 1 1 -34 16 5  o 485.1296 17.90093 7444.328       508.4386 0.000000       0.000000 7444.328       508.4386 ?        ?        485.1296 17.90093 0.000000       17.90093 
1 1 1 -34 16 6  o 164.1159 20.95259 883.7665       197.0759 724.9908       249.8926 1144.985       320.5259 139.6418 31.29025 175.3499 32.35971 -35.70818      45.01368 
1 1 1 -34 16 7  o 59.03944 25.58455 30.68624       163.5018 81.44427       198.7080 -75.72092      287.7057 67.47355 28.70090 66.71415 30.91769 0.7593994      42.18584 
1 1 1 -34 16 8  o 61.60817 26.52391 46.87805       173.4798 166.9610       210.9038 -204.3478      305.0534 75.91990 30.66228 62.78732 29.92707 13.13258       42.84630 
1 1 1 -34 16 9  o 97.83572 37.54670 387.6967       302.2555 0.000000       0.000000 387.6967       302.2555 ?        ?        97.83572 37.54670 0.000000       37.54670 
1 1 1 -34 16 10 o 122.7848 27.68421 545.4447       194.5795 721.4836       258.7182 316.2001       295.2379 136.6866 32.71100 91.45988 36.50503 45.22674       49.01660 
1 1 1 -34 16 11 o 48.23772 22.86010 -142.6799      172.9594 -243.9292      215.1336 42.37352       290.8445 49.95661 24.14942 72.28639 32.56383 -22.32978      40.54131 
1 1 1 -34 16 12 o 42.22194 20.70280 -279.2073      174.4691 -384.6042      211.8145 -56.81409      307.6824 44.39969 21.96759 68.43822 31.80464 -24.03853      38.65372 
1 1 1 -34 16 13 o 78.17044 29.39350 210.9824       182.9393 363.3529       229.3967 -55.21843      303.2085 95.43939 33.32277 67.91897 31.56647 27.52042       45.90043 
1 1 1 -34 16 14 o 115.3785 25.26195 474.5761       166.1906 531.4177       201.9754 355.4148       292.4377 118.7000 29.21408 93.04540 36.58627 25.65464       46.81899 
1 1 1 -34 16 15 o 59.06406 25.37035 50.13113       158.0283 84.98981       189.5906 -29.21175      286.0325 65.49517 27.95258 67.06396 30.99118 -1.568794      41.73487 
1 1 1 -34 16 16 o 118.4156 41.72054 696.2969       360.1243 0.000000       0.000000 696.2969       360.1243 ?        ?        118.4156 41.72054 0.000000       41.72054 
1 1 1 -34 16 17 o 164.5211 19.00318 890.6484       179.9913 743.0930       231.4895 1116.237       286.2279 140.4836 29.05623 172.5913 29.32584 -32.10770      41.28280 
1 1 1 -34 16 18 o 198.4861 16.16080 1258.099       186.4972 1328.658       238.9094 1148.032       298.3918 198.8748 20.79023 173.0645 30.51339 25.81030       36.92290 
1 1 1 -34 16 19 o 128.0490 23.76941 580.0673       171.9327 623.4928       214.9252 502.8850       286.5324 127.0720 29.42034 104.1905 37.16488 22.88155       47.40026 
1 1 1 -34 16 20 o 89.28976 29.19919 314.6012       176.0375 224.1053       214.2430 502.6781       308.8589 78.25694 31.14267 101.9396 38.22168 -23.68264      49.30277 
1 1 1 -34 16 21 o 58.24291 26.18239 9.633031       186.9083 84.83405       246.7703 -91.56256      286.2608 68.68302 30.53370 62.69517 29.62141 5.987854       42.54098 
1 1 1 -34 16 22 o 74.80554 29.18881 200.8556       184.9389 164.3353       256.8985 240.1417       266.4490 74.41364 32.15835 80.27230 33.64024 -5.858658      46.53843 
1 1 1 -34 16 23 o 55.90810 25.56732 -21.38216      187.7495 -102.4534      257.8118 70.16258       273.9592 59.14032 27.99230 69.02997 31.30127 -9.889652      41.99212 
1 1 1 -34 17 1  o 57.57918 26.00737 -30.93721      186.9440 2.897160       228.1370 -100.0923      326.1585 64.93609 29.07940 69.38516 32.41145 -4.449074      43.54439 
1 1 1 -34 17 2  o 119.1418 28.24513 512.5411       194.3371 468.8498       237.4339 601.2173       338.2589 109.4485 33.69307 117.0397 40.48747 -7.591263      52.67312 
1 1 1 -34 17 3  f 172.6084 19.69905 966.3464       195.8490 1254.109       242.9215 431.9388       331.0436 195.0265 21.60007 102.1400 39.26959 92.88651       44.81812 
1 1 1 -34 17 4  o 240.8163 15.24659 1805.573       214.2267 1684.008       273.0022 2000.391       345.6012 227.0685 20.72857 242.6847 24.62230 -15.61626      32.18589 
1 1 1 -34 17 5  o 194.2911 30.17608 1372.702       332.6963 0.000000       0.000000 1372.702       332.6963 ?        ?        194.2911 30.17608 0.000000       30.17608 
1 1 1 -34 17 6  o 58.88807 26.41269 -12.63392      189.0246 -319.8063      240.7655 480.9121       305.1877 50.88246 24.81406 106.4750 38.31111 -55.59250      45.64513 
1 1 1 -34 17 7  o 83.09701 28.90682 246.3261       172.5394 176.0842       212.0819 383.8173       296.7173 76.62345 30.81778 97.49890 37.25512 -20.87545      48.34956 
1 1 1 -34 17 8  o 49.59735 23.27083 -114.7871      171.2784 55.60873       205.1042 -507.4195      311.3422 65.60198 28.53986 53.69853 26.58003 11.90345       39.00027 
1 1 1 -34 17 9  o 66.16139 28.03027 84.96953       188.2422 400.8722       240.2712 -417.1154      302.9100 99.96011 34.13949 55.09532 27.06836 44.86479       43.56835 
1 1 1 -34 17 10 o 114.4934 27.67649 479.1089       183.7673 651.9669       228.4166 161.9185       309.4162 131.7599 30.20578 80.38699 35.01186 51.37293       46.24088 
1 1 1 -34 17 11 o 43.51000 21.17659 -240.2201      172.9398 -174.0412      210.0887 -379.3218      304.5855 52.12062 24.84089 56.15053 27.49538 -4.029911      37.05490 
1 1 1 -34 17 12 o 74.27316 33.23117 81.50298       297.2200 0.000000       0.000000 81.50298       297.2200 ?        ?        74.27316 33.23117 0.000000       33.23117 
1 1 1 -34 17 13 o 53.20392 24.13951 -32.06878      163.2343 -82.78821      199.2141 71.56260       284.7598 55.03031 25.57983 72.53521 32.48491 -17.50490      41.34727 
1 1 1 -34 17 14 o 46.72689 22.22755 -144.3397      166.5750 8.716532       212.3944 -388.9177      268.4888 62.10030 27.91393 51.36985 25.28644 10.73045       37.66419 
1 1 1 -34 17 15 o 54.02142 24.15612 -6.249769      156.8073 17.72754       188.6877 -59.77613      281.9207 59.94830 26.67217 65.04465 30.30055 -5.096359      40.36741 
1 1 1 -34 17 16 o 108.6317 27.50403 441.4656       175.3711 499.2403       229.4885 360.3672       271.8931 110.1284 32.96630 92.50828 35.58300 17.62009       48.50698 
1 1 1 -34 17 17 o 69.61136 28.64986 138.3160       188.3745 433.2615       258.1641 -197.5265      275.4818 99.60665 35.30314 58.13856 27.90636 41.46809       45.00085 
1 1 1 -34 17 18 o 98.98964 38.35413 464.7233       317.5643 0.000000       0.000000 464.7233       317.5643 ?        ?        98.98964 38.35413 0.000000       38.35413 
1 1 1 -34 17 19 o 66.62032 28.56379 101.3474       199.6326 -60.45228      264.0059 317.3981       305.0722 62.32142 29.12768 87.13383 36.21570 -24.81242      46.47579 
1 1 1 -34 17 20 o 102.6312 29.34977 418.0099       185.5417 431.9278       231.7423 393.1568       309.6756 99.84026 33.53230 92.42009 37.21552 7.420166       50.09401 
1 1 1 -34 17 21 o 91.11732 30.04465 335.8328       186.2233 482.9774       246.8821 141.5993       283.6479 104.0804 34.60376 74.26827 32.89124 29.81211       47.74153 
1 1 1 -34 17 22 o 50.25610 23.56885 -88.61347      175.3408 7.263094       229.1900 -223.9292      272.2786 62.04446 28.32591 55.84667 27.03801 6.197792       39.15879 
1 1 1 -34 18 1  o 143.9096 24.29281 709.2457       197.7388 808.7390       248.2714 536.6373       327.0096 149.0558 29.44543 110.8646 39.68542 38.19114       49.41625 
1 1 1 -34 18 2  f 105.3123 39.52259 477.1589       330.4018 0.000000       0.000000 477.1589       330.4018 ?        ?        105.3123 39.52259 0.000000       39.52259 
1 1 1 -34 18 3  o 110.9800 27.68155 446.6131       179.5601 395.4701       214.6588 565.7858       327.6756 101.1667 32.17020 113.2565 39.80536 -12.08972      51.17996 
1 1 1 -34 18 4  o 220.5647 16.73263 1537.611       214.8318 1259.085       275.4249 1970.339       343.3034 191.1566 25.17930 240.0529 24.73873 -48.89630      35.29876 
1 1 1 -34 18 5  o 193.1010 21.22962 1232.626       236.4626 944.7858       272.1890 2118.287       477.4502 160.2658 30.06275 231.1227 36.42855 -70.85695      47.23143 
1 1 1 -34 18 6  o 138.7377 23.72046 659.2560       186.0749 354.8837       229.4443 1244.053       318.0369 95.30270 33.32272 183.4461 30.64093 -88.14339      45.26887 
1 1 1 -34 18 7  o 80.62631 29.56269 228.2039       182.8902 202.0858       225.6563 278.2052       312.2248 79.37588 31.83574 88.56260 36.70865 -9.186722      48.59053 
1 1 1 -34 18 8  o 40.65803 20.21230 -387.8137      187.6194 -480.5908      237.5455 -233.9590      305.9017 45.28009 22.54826 61.18650 29.37914 -15.90640      37.03455 
1 1 1 -34 18 9  o 62.32686 26.71535 60.32525       174.5391 69.62122       209.7711 39.41012       314.6505 66.72303 28.94648 73.56132 33.43064 -6.838287      44.22111 
1 1 1 -34 18 10 f 53.97247 24.45494 -30.77338      166.8394 -85.50949      199.3933 97.02059       304.6693 55.06981 25.59586 75.71484 33.77649 -20.64503      42.37923 
1 1 1 -34 18 11 o 78.83217 29.09800 220.1319       177.6714 290.0256       222.9836 98.60076       294.0341 87.09688 32.51291 74.86132 33.30209 12.23556       46.54158 
1 1 1 -34 18 12 o 47.93234 22.46266 -101.0672      158.7745 28.02233       193.7613 -364.9101      277.0092 61.49424 27.21176 53.15647 26.06891 8.337776       37.68379 
1 1 1 -34 18 13 o 124.2323 36.92706 672.3478       288.7331 0.000000       0.000000 672.3478       288.7331 ?        ?        124.2323 36.92706 0.000000       36.92706 
1 1 1 -34 18 14 o 86.59304 27.95020 281.3551       161.5904 330.1588       199.6977 188.7951       275.0160 91.51102 31.12637 78.95188 33.68004 12.55914       45.86061 
1 1 1 -34 18 15 o 82.08624 29.18249 252.3899       176.5258 363.0809       224.2907 72.22324       286.1491 94.07869 32.94267 71.91873 32.35752 22.15996       46.17606 
1 1 1 -34 18 16 o 57.14947 25.23411 21.91442       165.7494 -19.11452      202.8049 104.4498       287.6427 58.69484 26.73850 73.46894 32.79387 -14.77410      42.31294 
1 1 1 -34 18 17 o 78.34045 30.50842 224.0065       201.7231 357.2300       231.0671 -202.8638      413.6143 92.20402 33.31486 68.86239 33.33596 23.34163       47.12925 
1 1 1 -34 18 18 o 120.0272 29.85716 566.3257       209.3081 327.2213       281.1745 863.4993       313.4637 87.97607 35.44909 138.2337 37.65333 -50.25759      51.71470 
1 1 1 -34 18 19 o 99.97578 33.40395 431.4176       230.0050 1200.873       361.2975 -92.91648      298.2479 163.4426 38.35552 63.73567 30.14958 99.70692       48.78672 
1 1 1 -34 18 20 o 61.78235 28.36328 -11.03604      234.0779 -196.7571      342.3101 152.0852       320.8074 63.34975 30.58411 76.59409 34.37742 -13.24433      46.01299 
1 1 1 -34 18 21 o 67.55034 28.24288 129.5212       187.1472 418.7077       247.3027 -258.0307      286.2890 96.35628 34.50931 56.10724 27.29387 40.24904       43.99827 
1 1 1 -34 19 1  o 81.10933 30.44827 228.0517       196.1300 80.31988       244.1552 496.8080       329.3126 71.05040 31.02056 106.3716 39.54985 -35.32124      50.26396 
1 1 1 -34 19 2  o 84.02103 30.60975 254.0952       195.6038 333.6074       241.5902 102.7793       333.2766 92.80070 33.98527 78.74739 35.21425 14.05331       48.93917 
1 1 1 -34 19 3  o 128.3840 25.32541 577.8576       183.9089 407.5051       222.1524 948.8840       327.8529 101.7308 32.76625 151.7641 37.14183 -50.03333      49.52921 
1 1 1 -34 19 4  o 190.5027 18.77244 1173.742       207.0134 991.3161       260.2604 1487.949       341.5648 166.4812 27.62360 201.6251 29.78047 -35.14394      40.61945 
1 1 1 -34 19 5  o 131.9353 27.18587 626.2435       203.3553 610.3857       257.7915 652.3667       330.8723 122.8479 34.41461 119.9309 40.06433 2.916969       52.81586 
1 1 1 -34 19 6  o 44.33142 21.58657 -249.9931      180.2867 -191.6975      219.5905 -370.5530      315.7891 52.65757 25.17897 57.63408 28.17402 -4.976513      37.78565 
1 1 1 -34 19 7  o 62.43953 27.43398 36.10909       193.6627 -164.9225      248.4081 347.6520       309.2377 57.40548 27.26032 93.03178 37.28340 -35.62629      46.18633 
1 1 1 -34 19 8  o 163.1971 21.95542 897.6781       204.8122 1189.560       266.4438 476.1190       320.2071 184.4111 25.30229 103.2139 38.87108 81.19714       46.38067 
1 1 1 -34 19 9  o 62.64516 26.85779 64.33438       176.4782 155.3224       215.4466 -121.2113      307.6615 73.87047 30.54445 65.19114 30.77286 8.679329       43.35818 
1 1 1 -34 19 10 o 86.03560 29.45435 278.0836       178.8721 138.1193       224.1290 523.6171       296.8553 72.84499 30.70981 108.2464 37.89915 -35.40142      48.77949 
1 1 1 -34 19 11 o 52.70694 23.86343 -28.42203      158.5048 2.877149       189.7143 -100.7786      288.4514 59.16679 26.50516 64.02341 30.08986 -4.856617      40.09892 
1 1 1 -34 19 12 o 64.19333 26.94089 90.63298       171.2718 189.9984       218.2700 -68.57749      276.2881 76.65662 31.10847 64.19057 29.93391 12.46604       43.17147 
1 1 1 -34 19 13 o 74.23292 27.64703 190.1435       161.0521 278.9892       201.1383 31.42118       268.8411 85.25430 31.04267 68.50021 31.03972 16.75409       43.89888 
1 1 1 -34 19 14 o 68.67511 27.81237 137.5096       174.0564 302.9374       221.6759 -128.4418      281.0706 87.30924 32.45146 61.55581 29.16280 25.75344       43.62988 
1 1 1 -34 19 15 o 66.61732 27.12747 124.7075       166.6530 149.1108       199.8992 69.09171       301.7767 71.19746 29.42879 72.27178 32.80322 -1.074318      44.06932 
1 1 1 -34 19 16 o 79.31704 29.38082 235.5388       181.4249 121.2841       232.1065 414.9748       290.8740 70.67760 30.55558 95.56704 36.79250 -24.88943      47.82605 
1 1 1 -34 19 17 o 68.08297 27.68473 137.7858       173.2760 216.0667       219.5644 8.531599       282.1347 77.73876 31.32499 67.27816 30.97848 10.46060       44.05589 
1 1 1 -34 19 18 o 153.2701 22.66472 818.7167       197.5965 853.9465       260.9857 771.3977       302.4681 146.4865 31.32705 129.6129 37.59977 16.87366       48.94003 
1 1 1 -34 19 19 o 181.0022 26.57377 1205.730       273.6954 742.1685       337.2433 2100.154       468.4480 120.8687 40.44948 218.6573 37.90269 -97.78864      55.43262 
1 1 1 -34 19 20 o 59.80822 27.78800 -42.73353      234.6753 -150.8734      364.7462 33.65150       306.5504 66.03949 31.80435 69.33779 32.05661 -3.298302      45.15687 
1 1 1 -34 20 1  o 53.54212 25.01183 -103.6425      194.2657 -63.78169      235.4251 -188.7001      343.9032 60.98842 28.15966 66.35979 31.67028 -5.371365      42.37892 
1 1 1 -34 20 2  o 160.6441 23.37864 880.7334       213.8014 1164.181       270.2716 406.7496       349.4987 182.0333 26.05869 97.81899 39.48418 84.21429       47.30809 
1 1 1 -34 20 3  o 67.63144 28.15157 107.5750       184.7298 268.9943       222.1244 -254.4863      332.6670 85.46087 32.33282 62.93798 30.32654 22.52289       44.32957 
1 1 1 -34 20 4  o 82.52357 30.51814 245.9393       195.5983 21.20604       245.0390 640.6067       324.7260 66.73530 29.99113 118.7047 39.69114 -51.96944      49.74791 
1 1 1 -34 20 5  o 160.6441 22.92640 878.7612       209.8780 869.6987       267.6619 893.2278       338.1779 151.2982 31.20159 142.7687 39.19950 8.529434       50.10130 
1 1 1 -34 20 6  o 176.3608 19.35253 1017.835       196.8819 787.5114       244.6186 1441.444       331.7445 145.2232 29.72327 197.7794 29.50132 -52.55620      41.87840 
1 1 1 -34 20 7  o 70.78529 29.08047 136.9755       193.6248 81.41373       245.7790 227.8714       314.3612 70.39845 30.91910 84.03237 35.93237 -13.63393      47.40386 
1 1 1 -34 20 8  o 95.71953 29.08814 348.5309       177.7057 439.9982       214.6659 149.3548       316.7733 105.0904 31.97731 79.08115 34.90281 26.00925       47.33661 
1 1 1 -34 20 9  o 56.38723 25.56799 -24.96326      182.7804 -30.19970      226.5999 -15.21108      309.2375 61.32601 28.06132 69.75774 32.23167 -8.431725      42.73545 
1 1 1 -34 20 10 o 78.83407 28.45250 223.6640       168.4823 302.0853       205.2874 61.84472       294.8902 88.19496 31.45787 72.44086 32.69731 15.75410       45.37303 
1 1 1 -34 20 11 o 59.50183 26.25082 27.30456       179.0191 -96.10181      229.5487 218.8738       286.0019 57.83060 27.07153 81.47973 34.53659 -23.64912      43.88216 
1 1 1 -34 20 12 o 64.97851 26.66327 109.4278       162.5266 165.1649       198.2315 -4.873013      283.8738 72.95740 29.63182 67.58591 31.10335 5.371490       42.95885 
1 1 1 -34 20 13 o 72.15984 28.48833 169.6717       177.9433 456.4941       229.1813 -265.6960      282.3584 104.3353 33.24779 56.39251 27.35696 47.94282       43.05599 
1 1 1 -34 20 14 o 46.19674 21.99970 -139.9254      164.0956 -177.5972      200.1021 -62.56963      286.7408 49.75018 23.85465 64.58227 30.24001 -14.83209      38.51627 
1 1 1 -34 20 15 o 57.87561 25.75941 17.66408       176.1589 15.93427       223.9281 20.47278       285.3397 62.85855 28.42109 68.30801 31.34292 -5.449467      42.31001 
1 1 1 -34 20 16 o 88.63887 29.04396 308.3841       174.1319 415.1470       226.7087 154.7771       271.9341 98.64803 33.16641 75.04344 32.75131 23.60459       46.61179 
1 1 1 -34 20 17 o 50.73686 23.79389 -93.80505      178.6920 -228.9954      237.9193 81.14042       270.6501 52.26709 25.29765 70.23862 31.54628 -17.97153      40.43686 
1 1 1 -34 20 18 o 98.71745 28.85348 385.6282       177.5208 417.5511       225.2446 333.2906       288.4100 98.37726 33.05901 87.68743 35.69455 10.68983       48.65181 
1 1 1 -34 20 19 o 53.03395 24.55883 -54.21154      181.0062 -57.87660      234.1284 -48.76646      285.3747 58.93055 27.50570 63.98148 30.02551 -5.050922      40.71972 
1 1 1 -34 21 1  o 112.7311 28.84523 475.1918       191.4714 665.4295       226.4495 -1.913540      358.6164 133.3264 29.71957 74.57182 34.54494 58.75459       45.56978 
1 1 1 -34 21 2  o 84.60032 31.10355 264.4833       202.6705 256.9182       244.3080 281.1799       362.9466 84.45481 33.36871 89.14433 38.37178 -4.689514      50.85139 
1 1 1 -34 21 3  o 86.19273 30.99270 279.0093       199.6887 339.2899       245.1591 160.1747       344.2159 92.33392 34.16275 81.41985 36.13650 10.91407       49.72866 
1 1 1 -34 21 4  o 102.9427 30.97850 413.6111       202.2498 750.8553       255.3890 -153.6509      331.2239 139.1108 31.97406 66.07530 31.40631 73.03548       44.81849 
1 1 1 -34 21 5  o 183.5005 19.62609 1106.100       207.9373 753.1951       264.6719 1675.178       336.0973 137.7877 33.15631 216.3931 27.07410 -78.60533      42.80594 
1 1 1 -34 21 6  o 166.5446 20.35788 920.6324       194.7158 841.5450       243.0142 1062.463       325.4342 151.3060 28.42930 161.6974 35.30883 -10.39137      45.33143 
1 1 1 -34 21 7  o 189.0135 18.93846 1167.415       207.1116 1242.142       268.0096 1056.631       326.3257 188.4225 24.85894 160.5062 35.59914 27.91628       43.41965 
1 1 1 -34 21 8  o 41.66997 20.44380 -271.4283      170.8855 -265.9666      200.3675 -286.0003      327.2796 46.48907 22.66384 60.66979 29.43682 -14.18072      37.15072 
1 1 1 -34 21 9  o 97.31808 30.30340 371.9351       191.4319 495.6071       239.8087 154.6938       317.8341 108.8126 33.92230 78.66071 34.82771 30.15190       48.61782 
1 1 1 -34 21 10 o 86.34155 29.21436 285.3037       175.8976 436.5071       211.5898 -52.95558      316.4745 103.8540 31.77620 67.96230 31.80538 35.89173       44.95898 
1 1 1 -34 21 11 o 49.87634 23.53784 -118.7107      179.7958 -97.92899      225.7958 -154.7181      297.2159 57.01045 26.73943 61.94672 29.53024 -4.936272      39.83757 
1 1 1 -34 21 12 o 118.4776 25.99176 513.7369       175.6265 644.1856       219.7142 282.8868       292.2830 129.2617 29.61886 85.31149 35.45254 43.95023       46.19696 
1 1 1 -34 21 13 o 97.49312 29.89037 377.2147       187.0999 467.3845       247.2559 256.4099       286.1925 103.5691 34.63453 83.04066 34.83656 20.52841       49.12368 
1 1 1 -34 21 14 o 67.36642 28.57320 111.8754       195.9787 93.13706       222.4776 176.7794       414.0536 67.89619 29.62804 81.98375 37.66885 -14.08755      47.92456 
1 1 1 -34 21 15 o 40.10105 19.89242 -338.5631      177.9403 -242.1477      230.6253 -480.3862      279.7094 50.96819 24.72520 49.49517 24.61774 1.473026       34.89081 
1 1 1 -34 21 16 o 55.87860 25.21742 -5.157518      175.3172 277.2235       239.5547 -330.8307      257.2634 83.41502 33.01585 51.01209 25.03872 32.40294       41.43651 
1 1 1 -34 21 17 o 100.9935 28.66667 402.6373       177.6600 317.0752       234.7038 517.4452       271.8726 86.76542 33.13889 105.1929 36.30193 -18.42746      49.15299 
1 1 1 -34 22 1  o 68.49363 28.71515 112.8944       194.2560 154.6814       238.9088 31.36994       333.6993 75.08833 31.68358 73.84147 33.88678 1.246857       46.39141 
1 1 1 -34 22 2  o 66.63395 28.20504 96.13737       190.3104 -21.44548      234.9181 320.6482       324.6109 62.75216 28.65995 90.22412 37.41640 -27.47196      47.13152 
1 1 1 -34 22 3  o 93.26427 30.17438 336.8040       188.2622 287.5875       233.4018 428.4500       318.4968 86.56879 33.05099 98.35850 38.32616 -11.78971      50.60891 
1 1 1 -34 22 4  o 201.0225 16.89992 1293.468       197.3983 1221.264       243.2735 1432.641       337.7471 189.6445 22.29838 194.7866 30.57078 -5.142136      37.83901 
1 1 1 -34 22 5  o 104.0753 39.40705 506.7861       330.1125 0.000000       0.000000 506.7861       330.1125 ?        ?        104.0753 39.40705 0.000000       39.40705 
1 1 1 -34 22 6  o 231.6152 17.15838 1722.452       231.4189 1832.167       306.8000 1577.627       352.4873 231.3460 22.91287 204.3412 30.33190 27.00473       38.01347 
1 1 1 -34 22 7  o 84.97742 31.05129 277.5605       201.5079 278.4037       250.8701 276.0273       338.2929 85.17846 33.76346 86.48321 37.13343 -1.304749      50.18827 
1 1 1 -34 22 8  o 47.47232 23.02075 -233.1926      199.4401 -158.7539      241.9251 -391.0954      352.3520 56.14400 26.72983 59.54490 29.24230 -3.400902      39.61813 
1 1 1 -34 22 9  o 49.45637 23.58411 -156.0414      189.9095 -138.2094      229.4839 -194.7903      338.2839 55.51665 26.31616 64.10911 30.81164 -8.592453      40.52033 
1 1 1 -34 22 10 o 102.8676 32.53373 438.3047       219.7962 407.7447       249.2433 545.1965       466.1418 97.27605 34.66624 100.6813 43.41320 -3.405243      55.55586 
1 1 1 -34 22 11 o 67.80589 27.95855 127.4594       179.8330 132.7350       220.7673 117.0550       310.0308 71.03711 30.23563 75.25185 33.78342 -4.214737      45.33777 
1 1 1 -34 22 12 o 82.33170 30.30285 260.6740       192.4570 320.0744       246.3547 167.6471       308.2977 88.06470 33.87149 77.86246 34.39584 10.20224       48.27371 
1 1 1 -34 22 13 o 102.8867 28.98501 413.8240       182.3271 394.5353       231.6279 445.2433       295.6231 96.16815 33.49043 97.98678 37.24761 -1.818626      50.08986 
1 1 1 -34 22 14 o 63.72449 27.66418 73.91998       191.8617 -52.79673      258.9832 228.0622       285.6376 62.19831 28.99702 80.43984 34.31981 -18.24154      44.92969 
1 1 1 -34 22 15 o 60.73447 27.42836 14.34352       207.8375 -13.93953      305.4706 38.72160       283.5998 67.51128 31.48000 68.50721 31.36442 -0.9959335     44.43779 
1 1 1 -34 23 1  o 93.74685 30.00511 341.3856       186.4975 612.3935       237.2388 -97.01459      301.7381 123.8440 32.32416 65.22117 30.69093 58.62287       44.57336 
1 1 1 -34 23 2  o 96.10110 29.86730 359.1640       186.0592 584.7318       232.4507 -43.02976      310.3916 120.8959 32.20749 68.23363 31.78868 52.66227       45.25309 
1 1 1 -34 23 3  f 72.93861 33.16096 57.31245       309.9810 0.000000       0.000000 57.31245       309.9810 ?        ?        72.93861 33.16096 0.000000       33.16096 
1 1 1 -34 23 4  o 88.76553 29.55841 303.6378       180.1228 248.8530       208.6622 463.8311       356.8089 81.88334 31.25319 99.25782 39.95494 -17.37448      50.72631 
1 1 1 -34 23 5  o 222.0099 18.59726 1609.391       239.9199 1373.203       285.7547 2173.651       441.6758 196.8285 25.34195 235.0675 32.94052 -38.23895      41.56070 
1 1 1 -34 23 6  o 90.28988 33.17530 331.6924       230.5122 351.0306       270.7632 280.7648       439.3973 91.44775 35.41986 88.45750 39.92095 2.990250       53.36899 
1 1 1 -34 23 7  o 128.5753 29.67377 635.4240       219.2188 389.3732       267.2704 1141.247       383.2111 94.90974 35.56170 156.1524 41.23968 -61.24269      54.45498 
1 1 1 -34 23 8  o 76.51296 30.47650 201.4043       205.3587 167.8648       260.5508 256.4098       333.6696 76.09583 32.62944 84.50710 36.58505 -8.411270      49.02190 
1 1 1 -34 23 9  o 131.4810 26.00176 628.8085       193.3948 854.6346       231.9275 113.4419       350.3671 152.8191 26.85735 77.21304 35.16294 75.60605       44.24646 
1 1 1 -34 23 10 o 44.17406 21.68672 -291.6748      193.2995 -404.5475      239.0946 -78.68833      328.4365 46.85291 23.20955 67.28623 31.77183 -20.43333      39.34631 
1 1 1 -34 23 11 o 57.30490 25.81992 -1.485175      182.9534 -126.7091      223.4848 252.9530       318.5630 55.05630 26.06013 83.32667 35.90913 -28.27037      44.36886 
1 1 1 -34 23 12 o 74.96778 29.91039 194.5660       198.1237 395.9202       254.5405 -114.9257      315.5739 94.81835 34.85776 64.44658 30.63880 30.37177       46.40904 
1 1 1 -34 23 13 o 56.18623 25.67076 -23.90919      188.6994 -111.1400      237.5182 125.3676       310.7121 57.06129 26.96631 74.78474 33.67625 -17.72345      43.14246 
1 1 1 -34 24 1  o 52.79012 24.76482 -105.3646      193.8409 20.10844       255.2419 -276.3426      297.9523 66.71478 30.23618 57.96976 28.11745 8.745022       41.28944 
1 1 1 -34 24 2  o 123.2164 27.28937 560.6972       191.9995 634.8144       232.7818 402.9785       339.5713 126.8933 31.44149 95.11606 38.72652 31.77728       49.88297 
1 1 1 -34 24 3  o 108.5420 29.92093 459.3179       196.5872 640.0897       233.0986 14.00906       365.8517 127.3775 31.40493 74.22017 34.55563 53.15737       46.69434 
1 1 1 -34 24 4  o 95.45000 30.70186 362.0406       195.0860 206.6157       224.0420 849.4413       396.7458 77.92300 31.55547 126.9374 43.85124 -49.01436      54.02480 
1 1 1 -34 24 5  o 173.6645 21.35582 1021.167       212.9345 994.1242       242.0906 1113.588       447.5502 166.7828 25.56377 142.2753 46.55934 24.50751       53.11571 
1 1 1 -34 24 6  o 221.1801 18.53233 1600.608       238.1875 1536.282       276.8503 1783.879       467.3018 211.3969 22.68479 197.1702 41.71539 14.22678       47.48446 
1 1 1 -34 24 7  o 83.14516 32.57198 265.2962       231.0488 219.0493       281.4021 360.9737       404.7539 80.46394 34.18799 91.26746 39.89190 -10.80351      52.53743 
1 1 1 -34 24 8  o 128.2127 29.03876 629.7838       213.2675 538.4603       272.3182 774.6413       342.9698 109.1525 36.34412 125.2249 40.74358 -16.07244      54.59793 
1 1 1 -34 24 9  o 89.57906 30.52240 321.7531       192.0350 526.2490       235.1817 -87.36476      332.6485 111.4213 33.37722 66.97903 31.73029 44.44229       46.05269 
1 1 1 -34 24 10 o 101.2614 31.22348 421.2315       203.8032 229.1842       256.8332 747.7819       334.9054 79.69823 33.18577 122.4746 40.28689 -42.77633      52.19510 
1 1 1 -34 25 1  o 46.96260 22.65213 -199.0452      186.7480 -247.0815      227.1886 -98.96889      327.9193 50.61812 24.55184 66.66908 31.55994 -16.05095      39.98528 
1 1 1 -34 25 2  o 93.09643 30.00209 342.5771       186.2344 419.7261       220.7120 151.8661       347.0155 100.4447 32.68494 79.01191 35.58370 21.43275       48.31672 
1 1 1 -34 25 3  o 81.29847 29.74100 250.1300       184.9400 326.1056       217.4811 51.69257       351.4764 89.51496 32.32366 74.35139 34.35713 15.16357       47.17236 
1 1 1 -34 25 4  o 80.93745 29.65440 247.9428       183.9727 420.6918       217.8892 -181.0340      343.3561 100.5221 32.45684 64.65382 31.06524 35.86826       44.92768 
1 1 1 -34 25 5  o 127.0834 24.59336 578.7236       176.6710 592.2562       199.7938 530.2007       378.3248 125.2838 27.90718 101.4096 41.02758 23.87421       49.61928 
1 1 1 -33 0  1  o 120.1563 57.73639 750.5685       469.9086 750.5685       469.9086 750.5685       469.9086 120.1563 57.73639 120.1563 57.73639 -0.000000      0.000000 
1 1 1 -33 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  3  o 83.05717 49.80684 315.2131       434.5737 315.2131       434.5737 315.2131       434.5737 83.05717 49.80684 83.05717 49.80684 -0.000000      0.000000 
1 1 1 -33 0  4  o 288.9688 28.81202 2656.160       476.3144 2656.160       476.3144 2656.160       476.3144 288.9688 28.81202 288.9688 28.81202 -0.000000      0.000000 
1 1 1 -33 0  5  o 322.3378 26.59681 3256.911       494.6476 3256.911       494.6476 3256.911       494.6476 322.3378 26.59681 322.3378 26.59681 -0.000000      0.000000 
1 1 1 -33 0  6  o 59.51885 40.34712 -112.6135      420.1203 -112.6135      420.1203 -112.6135      420.1203 59.51885 40.34712 59.51885 40.34712 0.000000       0.000000 
1 1 1 -33 0  7  o 347.6787 26.58055 3787.409       534.5209 3787.409       534.5209 3787.409       534.5209 347.6787 26.58055 347.6787 26.58055 -0.000000      0.000000 
1 1 1 -33 0  8  o 107.5862 55.36034 624.9207       445.9029 624.9207       445.9029 624.9207       445.9029 107.5862 55.36034 107.5862 55.36034 -0.000000      0.000000 
1 1 1 -33 0  9  o 85.25787 46.14526 370.3232       322.6015 370.3232       322.6015 370.3232       322.6015 85.25787 46.14526 85.25787 46.14526 -0.000000      0.000000 
1 1 1 -33 0  10 o 36.99097 26.70564 -497.4073      296.7859 -497.4073      296.7859 -497.4073      296.7859 36.99097 26.70564 36.99097 26.70564 -0.000000      0.000000 
1 1 1 -33 0  11 o 63.31125 38.89558 146.8793       279.0483 146.8793       279.0483 146.8793       279.0483 63.31125 38.89558 63.31125 38.89558 0.000000       0.000000 
1 1 1 -33 0  12 f 76.08354 42.03839 287.9349       273.5816 287.9349       273.5816 287.9349       273.5816 76.08354 42.03839 76.08354 42.03839 -0.000000      0.000000 
1 1 1 -33 0  13 o 48.70250 32.89864 -75.46716      274.4967 -75.46716      274.4967 -75.46716      274.4967 48.70250 32.89864 48.70250 32.89864 0.000000       0.000000 
1 1 1 -33 0  14 o 163.4949 34.60786 948.0708       291.8953 948.0708       291.8953 948.0708       291.8953 163.4949 34.60786 163.4949 34.60786 0.000000       0.000000 
1 1 1 -33 0  15 o 89.17384 44.98617 410.7398       291.0376 410.7398       291.0376 410.7398       291.0376 89.17384 44.98617 89.17384 44.98617 0.000000       0.000000 
1 1 1 -33 0  16 o 78.98794 42.72303 322.5538       276.3468 322.5538       276.3468 322.5538       276.3468 78.98794 42.72303 78.98794 42.72303 -0.000000      0.000000 
1 1 1 -33 0  17 o 393.2386 16.40151 4683.487       376.7604 4683.487       376.7604 4683.487       376.7604 393.2386 16.40151 393.2386 16.40151 -0.000000      0.000000 
1 1 1 -33 0  18 o 66.16591 38.14642 211.7318       238.1743 211.7318       238.1743 211.7318       238.1743 66.16591 38.14642 66.16591 38.14642 0.000000       0.000000 
1 1 1 -33 0  19 o 316.6129 16.93824 3060.873       312.4501 3060.873       312.4501 3060.873       312.4501 316.6129 16.93824 316.6129 16.93824 -0.000000      0.000000 
1 1 1 -33 0  20 o 409.9913 15.72462 5097.758       376.8338 5097.758       376.8338 5097.758       376.8338 409.9913 15.72462 409.9913 15.72462 0.000000       0.000000 
1 1 1 -33 0  21 o 124.2037 37.95165 624.9232       241.4790 624.9232       241.4790 624.9232       241.4790 124.2037 37.95165 124.2037 37.95165 -0.000000      0.000000 
1 1 1 -33 0  22 o 193.1330 22.75586 1207.582       248.3705 1207.582       248.3705 1207.582       248.3705 193.1330 22.75586 193.1330 22.75586 0.000000       0.000000 
1 1 1 -33 0  23 o 183.0334 24.46345 1106.401       249.4740 1106.401       249.4740 1106.401       249.4740 183.0334 24.46345 183.0334 24.46345 0.000000       0.000000 
1 1 1 -33 0  24 o 37.56607 26.40029 -188.9416      224.6063 -188.9416      224.6063 -188.9416      224.6063 37.56607 26.40029 37.56607 26.40029 0.000000       0.000000 
1 1 1 -33 0  25 o 39.54352 27.48253 -137.7615      224.9501 -137.7615      224.9501 -137.7615      224.9501 39.54352 27.48253 39.54352 27.48253 -0.000000      0.000000 
1 1 1 -33 0  26 o 33.72832 24.17542 -296.9619      224.3930 -296.9619      224.3930 -296.9619      224.3930 33.72832 24.17542 33.72832 24.17542 -0.000000      0.000000 
1 1 1 -33 0  27 o 41.98890 28.74553 -77.95451      224.6465 -77.95451      224.6465 -77.95451      224.6465 41.98890 28.74553 41.98890 28.74553 0.000000       0.000000 
1 1 1 -33 0  28 o 49.24269 32.34230 38.24926       235.2046 38.24926       235.2046 38.24926       235.2046 49.24269 32.34230 49.24269 32.34230 0.000000       0.000000 
1 1 1 -33 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 0  30 o 136.6617 35.22910 739.2638       244.0105 739.2638       244.0105 739.2638       244.0105 136.6617 35.22910 136.6617 35.22910 0.000000       0.000000 
1 1 1 -33 0  31 o 135.6011 35.08394 729.8933       241.1015 729.8933       241.1015 729.8933       241.1015 135.6011 35.08394 135.6011 35.08394 -0.000000      0.000000 
1 1 1 -33 1  1  o 91.39751 37.56394 195.0679       323.2443 204.0908       462.5132 186.4526       451.9430 100.7775 43.34710 99.22308 42.76537 1.554436       60.89210 
1 1 1 -33 1  2  o 147.4282 36.93799 781.4775       318.6857 684.6765       441.1453 887.1338       460.8814 132.5455 46.21474 148.8766 47.11381 -16.33113      65.99632 
1 1 1 -33 1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  4  o 407.7843 17.15496 5085.254       409.3544 5170.347       575.3660 4998.029       582.5295 402.7623 24.47369 394.9208 25.28394 7.841461       35.18862 
1 1 1 -33 1  5  o 296.2617 19.73630 2726.522       340.9636 2689.046       471.2964 2767.677       493.8870 285.8004 28.49720 288.7849 29.57847 -2.984436      41.07281 
1 1 1 -33 1  6  o 373.5816 17.78144 4289.008       388.4673 4111.418       527.4358 4499.561       574.3030 357.4875 25.32081 372.5459 26.45732 -15.05838      36.62149 
1 1 1 -33 1  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 1  8  o 122.3205 37.94803 553.3085       300.5074 564.0839       440.6863 543.9431       410.8446 121.1702 45.60817 119.6467 44.23280 1.523491       63.53460 
1 1 1 -33 1  9  o 129.2964 33.38502 595.6105       254.8984 543.8375       399.7659 631.0794       330.8857 119.1960 43.70668 128.8481 39.79417 -9.652084      59.10880 
1 1 1 -33 1  10 o 85.98838 32.07637 227.1098       216.9597 50.95980       304.4588 408.8498       309.2520 78.81621 34.52025 106.8773 38.55122 -28.06105      51.74789 
1 1 1 -33 1  11 o 213.9788 17.65278 1420.209       219.5621 1183.625       296.2432 1708.564       327.0535 188.0318 27.69208 229.0769 24.73549 -41.04504      37.13079 
1 1 1 -33 1  12 o 230.7713 16.26848 1639.713       218.7697 1561.871       297.9036 1730.832       322.3100 219.6952 23.48475 230.7306 24.17730 -11.03545      33.70572 
1 1 1 -33 1  13 o 143.3974 25.48028 685.9816       206.4359 853.4302       291.5363 517.5920       292.3543 154.1805 33.22228 116.7173 37.58817 37.46320       50.16562 
1 1 1 -33 1  14 o 105.0346 31.00605 393.4700       204.1329 492.4053       282.9681 286.1112       294.7684 113.9161 37.00432 93.95789 36.79544 19.95820       52.18452 
1 1 1 -33 1  15 o 88.90289 30.78506 269.5269       195.5843 191.8374       264.7597 362.8514       290.1809 84.23625 34.23313 100.3373 37.15952 -16.10101      50.52462 
1 1 1 -33 1  16 o 124.5981 26.80349 533.6253       190.0472 498.3964       267.0306 569.7858       270.5385 114.3057 35.82010 122.2951 35.58403 -7.989426      50.49062 
1 1 1 -33 1  17 o 291.8517 13.07323 2590.869       223.1988 2767.675       316.6506 2416.280       314.6603 296.6474 18.28968 275.7594 19.58377 20.88806       26.79620 
1 1 1 -33 1  18 o 207.7810 16.16349 1344.709       195.4178 1434.333       274.2661 1252.292       278.5077 208.8609 22.75822 192.7385 25.24499 16.12244       33.98891 
1 1 1 -33 1  19 o 201.0757 15.62914 1258.787       182.8620 1101.226       247.2718 1448.957       271.6567 181.3022 23.83175 209.6179 22.44651 -28.31566      32.73832 
1 1 1 -33 1  20 o 160.3964 18.47763 824.7270       170.6441 895.6983       233.7710 743.7758       249.6668 161.3834 25.54889 142.0390 30.85568 19.34436       40.06018 
1 1 1 -33 1  21 o 76.38862 27.28038 195.9953       154.4322 197.3877       210.2363 194.3635       227.5953 78.94633 31.02745 79.53830 31.94762 -0.5919724     44.53485 
1 1 1 -33 1  22 o 59.27462 25.43604 43.61030       158.5586 -142.5174      223.1971 233.2430       225.2888 55.72226 26.27491 82.64331 32.22495 -26.92105      41.57906 
1 1 1 -33 1  23 o 66.52179 26.51538 120.3977       155.5527 191.2981       217.0151 45.47911       223.0798 77.83044 31.21875 66.42752 29.30512 11.40292       42.81823 
1 1 1 -33 1  24 o 104.6438 25.30369 392.3022       153.5699 417.0274       211.1405 364.5305       223.7707 102.6249 31.80403 95.46686 32.93481 7.157997       45.78425 
1 1 1 -33 1  25 o 49.35629 22.67588 -55.63745      150.0054 -261.5019      209.2114 162.1697       215.1943 47.94453 23.32512 74.01949 30.55863 -26.07496      38.44335 
1 1 1 -33 1  26 o 64.89796 26.30393 114.6669       155.8318 6.029579       206.7893 257.4347       237.0575 60.88661 27.44059 82.81039 32.82208 -21.92379      42.78171 
1 1 1 -33 1  27 o 45.04928 21.44942 -136.1563      155.8464 -116.6314      211.3582 -159.4204      230.7115 54.15105 25.54457 54.52988 26.00098 -0.3788300     36.44963 
1 1 1 -33 1  28 o 53.55717 24.24519 -17.35552      163.5524 216.9733       224.5704 -282.0305      238.6690 77.91650 31.57818 50.49552 24.64297 27.42099       40.05568 
1 1 1 -33 1  29 o 107.6921 26.30690 436.6687       164.7036 482.9044       226.5213 384.8073       239.9069 105.8963 32.96224 93.46927 33.92185 12.42705       47.29906 
1 1 1 -33 1  30 o 153.1053 18.92674 785.0273       166.3332 933.8759       232.3089 628.4476       238.2655 159.3807 25.72908 121.7704 32.68304 37.61034       41.59527 
1 1 1 -33 1  31 o 134.3235 21.31032 627.0916       162.2788 704.3687       228.5804 548.5624       230.4245 132.5486 30.09430 112.4758 32.87235 20.07278       44.56746 
1 1 1 -33 2  1  o 53.34678 26.36168 -578.3099      301.6598 -536.9294      412.2343 -626.0126      442.6059 67.34027 32.75681 68.10099 33.30436 -0.7607193     46.71390 
1 1 1 -33 2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 2  3  o 172.4685 34.17020 1035.441       333.4029 1109.214       458.4888 952.6531       485.6921 168.3500 45.40403 152.7701 48.36775 15.57983       66.33977 
1 1 1 -33 2  4  o 374.0669 17.88972 4297.105       391.3297 3876.786       533.5658 4786.391       575.6779 346.1276 26.48577 385.9419 25.57787 -39.81430      36.82015 
1 1 1 -33 2  5  o 113.7996 38.67175 465.7594       308.2418 450.7111       405.5561 486.3429       474.3145 113.4025 43.49937 117.2021 46.43552 -3.799683      63.62746 
1 1 1 -33 2  6  o 260.3780 21.93412 2139.823       331.8346 1930.954       438.8729 2418.619       507.0443 237.9059 32.28703 265.3504 33.31424 -27.44447      46.39279 
1 1 1 -33 2  7  o 205.3495 27.21276 1388.783       319.6709 1706.012       437.3205 1024.786       468.4489 220.5522 34.97522 158.3771 47.02562 62.17511       58.60610 
1 1 1 -33 2  8  o 248.6326 19.06909 1923.150       275.9378 2326.776       450.8194 1681.344       348.9370 263.4136 29.69903 226.2277 26.82093 37.18590       40.01743 
1 1 1 -33 2  9  o 78.75577 32.22799 135.3266       236.6243 211.4858       368.4136 81.84830       308.7191 93.98022 39.48177 81.31422 35.19672 12.66599       52.89253 
1 1 1 -33 2  10 o 239.5234 18.27946 1781.967       254.8407 1601.011       392.2459 1914.141       335.2311 215.2303 32.05069 243.7449 23.75177 -28.51466      39.89227 
1 1 1 -33 2  11 o 51.35931 24.58125 -234.1579      210.3522 -204.3516      271.3698 -279.0273      332.9529 61.42081 28.96501 65.82390 31.34388 -4.403091      42.67799 
1 1 1 -33 2  12 o 247.3895 15.67749 1877.459       226.2916 1881.575       304.8804 1872.409       337.6760 242.9378 21.62428 239.8341 24.34395 3.103699       32.56129 
1 1 1 -33 2  13 o 261.3734 14.93505 2089.255       227.9854 2171.249       313.9128 1997.729       331.6586 261.6938 20.61986 248.7280 22.99640 12.96573       30.88710 
1 1 1 -33 2  14 o 69.55341 28.85310 90.71329       193.1134 285.6775       262.3756 -139.7517      285.2650 92.71127 35.12576 65.54622 30.51591 27.16505       46.52999 
1 1 1 -33 2  15 o 57.79199 26.13895 -50.02473      189.5963 -245.4370      258.3809 177.9381       279.0722 57.38298 27.40405 84.02319 34.75483 -26.64021      44.25924 
1 1 1 -33 2  16 o 104.3527 29.69591 388.3521       190.4031 340.5349       254.1612 449.5114       287.4407 97.24224 34.96537 108.2385 37.32797 -10.99625      51.14640 
1 1 1 -33 2  17 o 325.0501 12.19560 3198.406       232.0775 3161.857       316.6720 3240.812       341.1022 318.5212 17.01372 321.1429 18.18503 -2.621613      24.90305 
1 1 1 -33 2  18 o 333.5618 11.81080 3366.337       230.6854 3558.577       322.9770 3166.133       329.6006 338.2772 16.32799 317.3689 17.77923 20.90826       24.13927 
1 1 1 -33 2  19 o 101.8051 27.92836 371.9658       171.7462 389.1607       233.0054 351.5101       254.1399 100.9380 33.61879 96.40607 34.92408 4.531982       48.47592 
1 1 1 -33 2  20 o 295.6581 11.90009 2655.536       205.9218 2707.648       281.7196 2595.751       301.7453 294.0157 16.40292 285.9082 18.08820 8.107452       24.41800 
1 1 1 -33 2  21 o 123.1369 23.87995 519.2555       166.2286 681.1901       230.7025 344.4107       239.7225 136.3983 29.68484 94.74631 33.97114 41.65204       45.11350 
1 1 1 -33 2  22 o 80.69387 28.01417 229.4320       162.0075 78.20621       214.0845 432.0866       247.8281 68.27453 29.43008 103.5067 34.67554 -35.23219      45.48102 
1 1 1 -33 2  23 o 125.6859 22.59648 537.7454       160.4400 441.7603       214.8181 658.8260       241.2718 106.2547 31.91559 130.8701 31.76080 -24.61539      45.02614 
1 1 1 -33 2  24 o 79.50069 27.49123 226.7083       155.9479 235.4805       210.5373 216.0448       232.1274 81.31396 31.30279 80.09302 32.23150 1.220940       44.93033 
1 1 1 -33 2  25 o 83.96448 27.97695 262.0755       161.3593 341.3027       218.7568 167.5273       238.9743 92.27940 32.51618 75.74749 31.80872 16.53191       45.48732 
1 1 1 -33 2  26 f 48.54039 22.66546 -87.51537      159.2447 -1.590330      214.7590 -192.4619      237.3426 61.22672 27.74332 54.11995 25.95778 7.106773       37.99340 
1 1 1 -33 2  27 o 60.64133 25.69347 73.09936       158.1832 160.4203       215.8733 -28.15212      232.4557 72.98596 30.41043 61.22807 28.16594 11.75789       41.45015 
1 1 1 -33 2  28 o 98.67410 27.06607 370.3379       161.3159 317.1058       214.5667 439.5449       244.6530 87.94579 32.05620 99.99511 34.43978 -12.04932      47.04995 
1 1 1 -33 2  29 o 105.9772 26.78048 427.1607       166.4919 526.7466       223.9592 304.1351       248.9247 111.6804 32.34128 85.22482 33.67952 26.45554       46.69334 
1 1 1 -33 2  30 o 107.0801 26.56068 436.4997       165.9883 362.6942       229.3755 517.6417       240.5055 91.07605 33.15198 107.8031 34.02383 -16.72701      47.50447 
1 1 1 -33 2  31 o 205.1629 14.90157 1343.328       178.0782 1351.323       254.5958 1335.669       249.1729 196.0302 22.55573 195.4854 22.12214 0.5447998      31.59351 
1 1 1 -33 3  1  o 393.2961 27.38615 5027.406       627.7396 0.000000       0.000000 5027.406       627.7396 ?        ?        393.2961 27.38615 0.000000       27.38615 
1 1 1 -33 3  2  o 224.6938 40.79388 1847.286       517.7787 0.000000       0.000000 1847.286       517.7787 ?        ?        224.6938 40.79388 0.000000       40.79388 
1 1 1 -33 3  3  o 265.4337 22.52557 2226.367       347.3484 2802.218       492.9511 1658.514       489.5164 291.0533 29.27617 212.5510 40.75179 78.50237       50.17771 
1 1 1 -33 3  4  o 319.1039 19.69228 3161.490       366.7396 3011.846       482.0326 3367.165       565.1156 303.7945 27.34731 317.1567 30.76786 -13.36218      41.16475 
1 1 1 -33 3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -33 3  6  o 100.7993 37.67659 334.8921       299.6302 455.4755       403.7110 187.0077       447.0828 113.2492 43.41049 97.93575 42.37365 15.31350       60.66298 
1 1 1 -33 3  7  o 158.2046 28.50294 840.3103       254.7339 546.4583       409.1317 1026.339       325.5287 119.9878 44.17888 171.2011 33.62175 -51.21330      55.51752 
1 1 1 -33 3  8  o 55.88738 26.63930 -244.8269      241.7575 -589.6155      365.1456 24.27705       322.5891 60.27696 29.63503 79.24696 35.08728 -18.97000      45.92768 
1 1 1 -33 3  9  o 131.3575 32.02510 607.4056       244.4501 1188.846       362.5140 122.5578       331.0357 182.5536 35.13483 85.66897 36.75753 96.88465       50.84852 
1 1 1 -33 3  10 o 206.5587 20.91038 1351.088       249.8267 1324.910       363.6363 1374.490       343.8132 194.5014 33.06025 200.8700 30.11163 -6.368591      44.71790 
1 1 1 -33 3  11 o 132.3474 31.41536 617.5186       240.1694 942.9003       348.2186 322.3006       331.6857 158.6790 37.93367 99.29998 38.98869 59.37907       54.39744 
1 1 1 -33 3  12 o 320.0080 13.58099 3104.594       254.3047 3271.408       345.2856 2906.836       375.9502 324.3093 18.22719 302.4871 21.32880 21.82227       28.05616 
1 1 1 -33 3  13 o 95.27341 31.30834 316.8698       202.2816 459.3924       267.3535 126.0414       309.3609 111.0633 35.96041 83.03304 35.57837 28.03027       50.58628 
1 1 1 -33 3  14 o 53.65320 25.05221 -131.2187      194.5285 -86.79397      253.3825 -194.9896      303.5819 64.34779 29.52944 65.17680 30.70544 -0.8290024     42.60061 
1 1 1 -33 3  15 o 189.5315 18.65141 1132.100       204.6380 1099.863       276.2567 1171.297       304.6218 180.3619 26.94124 184.2009 29.16850 -3.838989      39.70682 
1 1 1 -33 3  16 o 134.7458 25.69514 615.6558       195.6478 752.1800       265.9088 454.5095       288.8936 143.8984 32.30245 108.5791 37.42318 35.31923       49.43625 
1 1 1 -33 3  17 o 225.7483 15.19360 1572.866       199.9857 1592.992       267.9443 1547.554       300.4903 222.4952 20.77413 216.0399 24.12770 6.455292       31.83882 
1 1 1 -33 3  18 o 127.4224 24.81053 552.8844       178.7386 593.6443       239.7977 501.9294       268.1155 126.2190 32.27255 112.9842 35.95636 13.23479       48.31540 
1 1 1 -33 3  19 o 268.0809 12.66455 2191.137       198.5530 2377.263       275.0917 1988.730       286.8713 274.9609 17.14440 248.5993 19.84052 26.36156       26.22168 
1 1 1 -33 3  20 f 96.09999 28.14105 334.7323       168.7252 242.3978       223.1950 457.8644       257.7436 84.24934 32.28182 107.0508 35.34841 -22.80148      47.87094 
1 1 1 -33 3  21 o 103.2722 27.11149 383.7422       166.2605 615.4345       220.6088 79.13527       252.9513 129.3588 29.70628 72.16110 31.53851 57.19766       43.32598 
1 1 1 -33 3  22 o 83.44052 27.68299 249.5023       158.0244 319.1970       216.2063 169.5702       231.5415 91.59283 32.32158 77.00481 31.73528 14.58803       45.29694 
1 1 1 -33 3  23 o 68.46980 26.88750 136.5449       157.7623 333.3516       213.2375 -101.4535      234.4934 92.77766 32.14346 58.86724 27.49295 33.91042       42.29734 
1 1 1 -33 3  24 o 100.5259 26.37737 368.9072       157.4295 411.7845       218.6475 322.7494       226.8573 101.2820 32.49585 90.56329 32.96888 10.71875       46.29176 
1 1 1 -33 3  25 o 64.70110 26.13674 112.1597       153.2777 189.0009       215.2486 33.11071       218.3189 76.37393 30.92934 64.22185 28.62450 12.15208       42.14245 
1 1 1 -33 3  26 o 74.47711 27.53105 195.0173       159.1531 76.42149       220.5066 323.9805       229.9428 66.98637 29.35737 89.27418 33.07551 -22.28780      44.22493 
1 1 1 -33 3  27 o 69.20081 27.08742 153.4573       159.6826 214.8101       216.6348 80.46369       236.2944 77.87584 31.20698 68.22007 30.12547 9.655769       43.37534 
1 1 1 -33 3  28 o 47.04431 22.15604 -103.3735      157.8385 66.71277       211.0363 -319.3084      237.7848 64.82008 28.55324 49.07814 24.08595 15.74194       37.35533 
1 1 1 -33 3  29 o 83.91943 27.48853 272.5258       155.9859 281.1951       203.4471 260.1607       242.9734 83.43031 31.07335 81.24010 32.87507 2.190216       45.23630 
1 1 1 -33 3  30 o 299.2178 11.50119 2757.622       201.4520 2675.389       273.7771 2854.716       297.4901 287.9017 16.28080 295.8214 17.22164 -7.919708      23.69914 
1 1 1 -33 3  31 o 69.41045 27.04214 166.5298       158.5417 242.7903       220.8497 85.44218       227.7322 78.65997 31.51323 66.37557 29.42973 12.28440       43.11835 
1 1 1 -33 4  1  o 81.10918 35.26241 60.02389       312.6674 -306.4055      405.6899 596.1005       490.6960 73.57177 34.90829 124.9204 47.86552 -51.34863      59.24270 
1 1 1 -33 4  2  o 187.0735 46.02989 1373.429       501.5093 0.000000       0.000000 1373.429       501.5093 ?        ?        187.0735 46.02989 0.000000       46.02989 
1 1 1 -33 4  3  o 248.0999 22.86232 1953.063       328.9189 2277.214       431.8062 1505.003       507.6717 262.7634 28.47489 197.4220 44.86832 65.34135       53.14118 
1 1 1 -33 4  4  o 267.6481 21.21050 2249.142       330.2193 2363.969       436.0106 2094.673       505.7023 267.9127 28.17036 243.4932 36.53905 24.41945       46.13753 
1 1 1 -33 4  5  o 314.2616 19.45341 3067.479       356.7823 2797.212       466.0239 3450.227       554.5857 292.0667 27.53150 321.8135 29.71978 -29.74680      40.51232 
1 1 1 -33 4  6  o 171.7599 30.95584 1007.438       300.3594 923.0696       406.6872 1108.681       445.5067 153.6936 43.28585 167.7360 44.54330 -14.04247      62.11095 
1 1 1 -33 4  7  o 113.6196 34.21716 460.8273       246.6815 248.0530       373.7285 625.0938       328.3758 96.97686 40.17592 128.6549 39.62690 -31.67803      56.43045 
1 1 1 -33 4  8  o 155.5347 27.38983 808.0889       240.7207 707.6580       348.1111 900.1207       333.2368 135.7217 40.59616 156.9184 36.84372 -21.19672      54.82252 
1 1 1 -33 4  9  o 68.11189 29.88781 10.68708       229.1868 -56.08525      321.1441 79.99221       327.1782 74.48412 33.82004 82.61217 35.99157 -8.128052      49.38814 
1 1 1 -33 4  10 o 197.3248 21.28271 1238.139       242.4059 1096.165       342.6031 1380.463       343.0247 175.0502 34.59868 201.2814 29.97107 -26.23123      45.77481 
1 1 1 -33 4  11 o 59.97515 27.70405 -113.4215      228.2345 -136.9696      313.0399 -86.69881      333.4730 69.30669 32.16440 73.78546 33.86633 -4.478767      46.70628 
1 1 1 -33 4  12 o 56.41679 26.09374 -109.9901      203.4240 -79.73568      259.7903 -157.9405      327.0579 65.80040 30.08509 69.67030 32.51544 -3.869904      44.29860 
1 1 1 -33 4  13 o 183.1031 20.33534 1066.823       214.6939 1090.553       275.4043 1030.060       342.7813 180.1625 26.88659 166.8054 36.08969 13.35707       45.00394 
1 1 1 -33 4  14 o 75.29708 29.82461 148.3556       195.6163 71.58398       257.3074 253.4943       301.1157 74.54679 32.19981 91.35281 36.72837 -16.80602      48.84467 
1 1 1 -33 4  15 f 97.15872 30.70328 335.4382       195.7950 276.6194       261.3730 410.6498       295.5598 91.31886 34.94804 104.5973 37.69344 -13.27849      51.40195 
1 1 1 -33 4  16 o 95.65268 29.96367 325.4794       186.8695 390.7516       246.6644 237.5533       286.2868 102.4599 34.59576 88.46194 35.72548 13.99793       49.73104 
1 1 1 -33 4  17 o 61.05971 26.67690 17.81527       180.8351 -93.40474      240.9999 161.1210       273.5629 61.69497 28.48774 81.27279 34.07473 -19.57782      44.41439 
1 1 1 -33 4  18 o 175.4361 18.15733 977.1154       184.1219 1042.523       245.9504 893.7258       277.7078 176.0824 24.47760 156.7274 31.30914 19.35497       39.74186 
1 1 1 -33 4  19 o 123.4820 24.79421 523.9655       173.3144 578.1497       233.3212 457.2641       258.8723 124.0043 31.90075 107.4139 35.42387 16.59037       47.67084 
1 1 1 -33 4  20 o 165.1729 18.69759 876.7927       177.9420 849.7177       241.4631 908.9717       263.2411 155.1647 27.54307 158.8243 29.34150 -3.659653      40.24356 
1 1 1 -33 4  21 o 60.62429 26.04902 45.41601       166.6984 99.45487       220.7637 -26.26779      254.2641 70.80784 30.18987 65.68523 29.92925 5.122604       42.51104 
1 1 1 -33 4  22 o 231.7689 13.98974 1662.693       189.2729 1562.357       252.1230 1792.262       286.5061 218.9461 19.85021 232.9820 21.20014 -14.03589      29.04267 
1 1 1 -33 4  23 f 75.29044 27.07646 194.0775       152.4181 319.1036       213.3771 63.82119       217.7944 90.95747 32.10834 67.04652 29.28479 23.91094       43.45738 
1 1 1 -33 4  24 o 71.92161 27.33873 168.7450       159.2542 -21.82857      219.9662 378.6770       230.8681 61.15714 27.85502 96.53889 33.44592 -35.38175      43.52623 
1 1 1 -33 4  25 o 59.04266 25.31041 53.04656       156.6959 69.72427       209.3158 31.78444       236.3399 65.91508 28.75136 65.79122 29.51948 0.1238632      41.20728 
1 1 1 -33 4  26 o 82.73817 27.90948 257.4168       160.5329 186.6811       212.5690 351.3098       244.9050 75.39337 30.66120 91.63017 34.09940 -16.23680      45.85715 
1 1 1 -33 4  27 o 66.20726 26.49251 129.4559       155.8909 247.3492       207.7669 -22.41371      235.8128 80.88074 31.10650 61.81979 28.41270 19.06095       42.12952 
1 1 1 -33 4  28 o 110.3454 25.50994 448.9438       161.7857 563.2697       220.1234 314.6316       238.5897 117.6193 31.34514 86.92949 33.35941 30.68979       45.77519 
1 1 1 -33 4  29 o 159.0738 18.44333 840.2714       168.8784 934.0952       229.6587 729.8051       249.1961 160.1846 25.28401 132.7585 32.31474 27.42615       41.03076 
1 1 1 -33 4  30 o 109.1078 25.84208 447.1312       162.7977 517.4697       223.8226 368.1185       237.2226 109.8779 32.47508 91.19823 33.62968 18.67965       46.75026 
1 1 1 -33 4  31 o 145.4910 20.17529 724.5208       167.5230 609.5029       227.6741 860.3074       247.3770 120.3222 31.79211 147.3768 29.64879 -27.05463      43.47170 
1 1 1 -33 5  1  o 146.8576 36.31519 777.1318       311.0030 981.2745       406.9930 490.6380       482.1448 159.9664 42.61768 117.4629 46.72729 42.50345       63.24323 
1 1 1 -33 5  2  o 150.3708 35.02320 803.8817       303.0935 750.6325       399.5300 876.0760       465.2047 138.5486 43.86861 146.4542 47.43683 -7.905594      64.61198 
1 1 1 -33 5  3  o 244.9179 36.74842 2125.568       511.5790 0.000000       0.000000 2125.568       511.5790 ?        ?        244.9179 36.74842 0.000000       36.74842 
1 1 1 -33 5  4  o 336.9554 17.93450 3496.581       353.1384 3590.446       476.1496 3381.834       526.4575 334.7604 24.42061 320.2637 28.32040 14.49667       37.39534 
1 1 1 -33 5  5  o 283.0008 19.75628 2496.267       325.8423 2373.518       431.4349 2659.251       497.1398 268.3649 27.81473 280.9377 30.67057 -12.57278      41.40463 
1 1 1 -33 5  6  o 120.6423 33.45491 517.6893       244.9559 371.0152       367.8886 634.5078       328.3186 105.5329 41.17107 129.6733 39.56428 -24.14034      57.09982 
1 1 1 -33 5  7  o 219.0858 19.75716 1502.984       251.1324 1444.891       366.5863 1554.356       344.7301 205.4075 31.42833 216.4137 27.80239 -11.00616      41.96085 
1 1 1 -33 5  8  o 98.09936 33.63193 330.6828       233.2303 404.5776       325.7117 252.9215       334.1242 106.8019 39.40200 94.76272 38.47688 12.03923       55.07257 
1 1 1 -33 5  9  o 63.37503 28.58948 -51.40607      225.0878 179.3884       310.4041 -307.3497      326.8790 87.71178 36.49955 64.21712 30.71011 23.49465       47.70039 
1 1 1 -33 5  10 o 141.4661 28.48032 682.8333       228.1061 879.2537       311.1800 454.7063       335.3564 155.7849 34.92431 110.6063 40.11119 45.17856       53.18473 
1 1 1 -33 5  11 o 239.5120 17.62093 1780.766       245.7853 1451.710       329.7943 2191.868       368.6239 207.9568 27.73141 259.3890 24.52269 -51.43228      37.01883 
1 1 1 -33 5  12 o 242.9791 17.31776 1831.811       245.1631 1873.769       338.4452 1785.487       355.6178 239.4525 24.44251 231.4997 26.68027 7.952805       36.18388 
1 1 1 -33 5  13 o 108.7840 30.67087 421.5166       204.0690 243.0860       257.3973 723.4601       334.8360 88.55869 34.46949 135.4835 39.63446 -46.92482      52.52653 
1 1 1 -33 5  14 o 70.63681 29.18089 100.1767       196.3982 189.7088       251.2130 -40.57566      314.9782 83.19004 33.51192 73.41455 33.39682 9.775490       47.31169 
1 1 1 -33 5  15 o 198.9377 17.83033 1240.964       205.8266 1371.068       268.9947 1057.198       319.6918 205.1757 22.73573 170.8817 33.09542 34.29398       40.15246 
1 1 1 -33 5  16 o 134.8507 25.17358 615.2981       191.7693 752.4577       254.6453 435.5926       291.4763 144.7861 30.92839 106.1862 37.52328 38.59996       48.62676 
1 1 1 -33 5  17 o 297.6771 12.50498 2690.563       217.8264 2388.236       283.3628 3127.293       340.5738 275.8284 17.60869 314.6505 18.53791 -38.82214      25.56795 
1 1 1 -33 5  18 o 118.2949 26.58391 489.8843       179.9263 264.2334       230.0140 845.6589       288.8173 87.38976 32.93765 149.6456 33.71936 -62.25586      47.13686 
1 1 1 -33 5  19 o 397.6990 13.92687 4859.199       324.3305 6151.998       655.3710 4439.893       373.2395 423.1789 26.54025 376.0154 16.96884 47.16354       31.50121 
1 1 1 -33 5  20 o 197.7375 15.58111 1221.734       179.2326 1335.640       241.6566 1082.463       267.2120 202.2432 20.66400 176.2158 26.69070 26.02744       33.75491 
1 1 1 -33 5  21 o 102.3958 27.90106 382.5955       172.0818 461.3385       227.5550 277.4156       262.9945 108.5820 32.89938 87.98542 34.66540 20.59659       47.79184 
1 1 1 -33 5  22 f 40.46544 19.75954 -236.8407      154.0915 -194.9717      205.3804 -290.7622      233.0740 50.66444 24.25949 50.66096 24.64049 0.3479004E-02  34.57856 
1 1 1 -33 5  23 o 71.73978 26.95155 167.2938       153.7318 196.2979       202.5525 127.8856       236.1028 77.26987 30.42880 73.20930 31.21765 4.060577       43.59420 
1 1 1 -33 5  24 o 66.39593 26.42392 125.1380       154.2452 140.6971       206.8564 105.6531       231.4870 71.78982 29.82847 70.72613 30.54548 1.063690       42.69384 
1 1 1 -33 5  25 o 65.90746 26.43379 122.5359       155.5731 157.4619       214.9437 84.10866       225.4602 73.32617 30.43115 68.25315 29.80408 5.073021       42.59505 
1 1 1 -33 5  26 o 51.26359 23.20557 -24.87701      149.8017 43.81454       205.1288 -103.3744      219.2819 63.14743 27.96820 55.88205 26.25467 7.265373       38.36050 
1 1 1 -33 5  27 o 64.05820 25.94459 113.4803       151.4766 311.5710       204.7154 -126.2061      225.1853 87.94413 31.40897 55.27903 26.16364 32.66510       40.87860 
1 1 1 -33 5  28 f 70.09019 26.70034 167.7646       152.1086 222.6733       211.2520 108.6488       219.1960 77.78209 30.93405 68.37346 29.62635 9.408630       42.83265 
1 1 1 -33 5  29 f 80.64432 27.78247 250.9176       159.2140 413.0910       230.0868 101.9207       220.5416 96.92807 33.39818 67.54210 29.48571 29.38597       44.55161 
1 1 1 -33 5  30 o 162.9014 17.73690 875.5314       166.7213 1006.694       250.8889 771.8082       223.1077 163.7367 27.07196 142.2562 27.73875 21.48048       38.75990 
1 1 1 -33 5  31 o 133.3211 21.63506 622.9000       163.3703 615.1729       231.9278 630.5100       230.1632 120.0911 32.25122 122.3516 31.79088 -2.260521      45.28578 
1 1 1 -33 6  1  o 89.98483 36.34906 209.7693       296.4456 235.5089       384.6795 172.1310       465.1711 97.19311 40.55341 98.20526 42.84809 -1.012154      58.99609 
1 1 1 -33 6  2  o 143.8326 47.96469 856.0379       474.2636 0.000000       0.000000 856.0379       474.2636 ?        ?        143.8326 47.96469 0.000000       47.96469 
1 1 1 -33 6  3  o 137.3519 36.27971 685.5353       296.5479 350.1184       384.7942 1176.119       465.3639 104.8190 41.72890 172.0443 45.44990 -67.22530      61.70085 
1 1 1 -33 6  4  o 279.7927 20.47046 2451.792       333.5790 2606.910       433.5308 2226.672       522.2692 282.6855 26.45703 250.1367 36.69164 32.54880       45.23550 
1 1 1 -33 6  5  o 185.5705 23.04996 1104.381       245.4682 925.9271       358.5205 1261.855       336.7868 157.6073 39.00117 192.4189 30.88892 -34.81166      49.75154 
1 1 1 -33 6  6  o 215.3266 19.14496 1446.663       239.2522 1442.828       343.7270 1450.268       333.2246 207.3458 29.06321 208.8863 27.89732 -1.540512      40.28561 
1 1 1 -33 6  7  o 75.79781 31.01088 121.0142       219.0306 133.4551       298.1931 106.4375       322.7777 83.79110 35.37853 83.98476 36.16888 -0.1936646     50.59475 
1 1 1 -33 6  8  o 112.3028 31.91440 446.1566       220.0654 516.3407       308.5802 373.5189       313.9277 117.3317 38.67476 103.5842 38.59528 13.74751       54.63820 
1 1 1 -33 6  9  o 173.4474 23.71816 977.3312       234.9543 1064.464       323.4295 879.9681       341.8896 173.8077 32.93447 152.9749 38.22021 20.83286       50.45259 
1 1 1 -33 6  10 o 201.3345 20.09673 1280.796       234.1310 1538.277       318.0840 976.3432       345.8824 216.2182 25.57888 162.0553 37.18329 54.16290       45.13177 
1 1 1 -33 6  11 o 78.20005 31.13515 158.5549       214.2409 256.9829       277.4684 13.24029       337.1388 91.15764 35.69919 78.85561 35.32867 12.30203       50.22496 
1 1 1 -33 6  12 o 160.6405 24.03277 848.1225       219.4702 1067.510       292.7199 566.4619       331.6722 176.1753 29.36364 119.9917 40.11326 56.18355       49.71214 
1 1 1 -33 6  13 o 113.4520 31.52826 463.4463       217.2999 463.4843       289.5057 463.3973       328.8591 110.4997 37.47889 109.9017 39.73949 0.5979843      54.62503 
1 1 1 -33 6  14 o 79.89887 30.24674 194.1814       194.4550 212.0880       246.0278 164.3755       317.4160 84.70969 33.48077 85.46143 36.31053 -0.7517395     49.39045 
1 1 1 -33 6  15 o 101.7152 30.11259 370.7116       192.3113 146.0480       246.3820 720.9953       307.6469 78.66843 32.60849 135.9766 37.40943 -57.30821      49.62639 
1 1 1 -33 6  16 o 111.1638 28.62617 439.2696       187.7508 273.3474       241.8983 690.6758       297.7614 89.53306 33.77074 132.7617 36.91122 -43.22863      50.02901 
1 1 1 -33 6  17 o 311.3172 12.14015 2938.523       221.2302 2566.592       292.5388 3435.393       338.1218 285.8699 17.53310 330.9149 17.48438 -45.04498      24.76112 
1 1 1 -33 6  18 o 313.7982 12.09081 2990.076       222.0972 2867.385       293.4620 3154.564       339.7921 302.7475 16.59144 315.2623 18.45843 -12.51480      24.81914 
1 1 1 -33 6  19 o 100.4888 28.28379 366.4972       173.6937 360.2806       222.1389 376.2777       278.6299 97.34046 32.83084 98.09740 36.39712 -0.7569427     49.01647 
1 1 1 -33 6  20 o 52.02649 25.05350 -239.7372      226.2168 95.04330       465.2416 -343.3947      258.8803 86.33575 39.76338 52.55164 25.65051 33.78411       47.31886 
1 1 1 -33 6  21 o 48.51603 22.66255 -100.8245      159.4464 -22.18183      210.5439 -206.5787      244.1531 60.83969 27.52856 55.54778 26.55795 5.291912       38.25110 
1 1 1 -33 6  22 o 43.75266 20.94548 -162.4506      152.9222 -136.2269      202.0626 -197.6055      233.9550 52.95887 24.98046 54.40685 26.00836 -1.447983      36.06187 
1 1 1 -33 6  23 o 80.48369 27.59571 233.2535       157.0246 278.3569       213.3320 179.9249       231.9697 86.02094 31.86062 77.02525 31.75627 8.995682       44.98399 
1 1 1 -33 6  24 o 178.9133 16.70867 1023.991       173.2939 1282.467       242.8662 755.8960       247.3443 195.1965 21.57469 140.1521 30.92263 55.04443       37.70513 
1 1 1 -33 6  25 o 47.69920 22.37436 -99.29595      158.1587 -137.1045      206.7463 -45.95377      245.5715 52.79732 25.01282 61.97666 28.66686 -9.179344      38.04510 
1 1 1 -33 6  26 o 81.20583 27.58045 246.5075       156.7834 79.22968       210.6636 454.1975       234.7351 66.19987 28.86021 103.3446 33.71270 -37.14473      44.37857 
1 1 1 -33 6  27 f 76.02694 27.14375 210.7361       152.8785 31.42584       208.8151 417.8748       224.4347 62.34381 27.87674 99.33515 32.99214 -36.99134      43.19252 
1 1 1 -33 6  28 o 92.59568 26.59658 326.6920       152.0422 244.3957       210.0721 417.2258       220.3350 79.77753 31.11473 98.72113 32.68606 -18.94360      45.12765 
1 1 1 -33 6  29 o 63.19633 25.62260 114.1800       147.9191 102.5745       208.9676 125.8348       209.4115 66.73022 28.92055 68.59224 29.32863 -1.862022      41.18941 
1 1 1 -33 6  30 o 118.8909 23.77391 510.8648       159.9710 487.3666       224.0268 535.3121       228.5061 105.9361 32.74838 111.3461 32.78802 -5.410088      46.34124 
1 1 1 -33 6  31 o 65.12141 27.09304 122.6714       170.9743 210.8077       240.2416 32.21935       243.3772 75.80941 31.86742 63.92211 29.18555 11.88730       43.21260 
1 1 1 -33 7  1  o 59.66748 28.61994 -313.1115      288.5980 -288.6808      369.6359 -351.2578      461.8843 70.06327 33.26601 76.88191 36.69500 -6.818642      49.52929 
1 1 1 -33 7  2  o 231.6625 23.90376 1723.730       320.1096 2031.241       426.5161 1327.098       484.3938 245.5365 30.25822 183.0850 45.34985 62.45151       54.51760 
1 1 1 -33 7  3  o 280.7035 33.42064 2724.511       539.3993 0.000000       0.000000 2724.511       539.3993 ?        ?        280.7035 33.42064 0.000000       33.42064 
1 1 1 -33 7  4  o 291.6018 19.10242 2643.910       324.8863 2609.012       402.4356 2709.218       550.5229 284.7236 24.33332 278.4225 34.44896 6.301056       42.17631 
1 1 1 -33 7  5  o 217.3977 19.04655 1474.070       240.3903 1523.282       340.1687 1424.977       339.7582 214.2075 27.72742 206.1107 28.90031 8.096741       40.05044 
1 1 1 -33 7  6  o 354.7963 27.86228 4165.340       575.1092 0.000000       0.000000 4165.340       575.1092 ?        ?        354.7963 27.86228 0.000000       27.86228 
1 1 1 -33 7  7  o 122.5474 30.33494 523.3134       216.8418 410.1080       292.1080 662.2696       323.6301 106.7656 37.57817 131.8819 39.06850 -25.11626      54.20763 
1 1 1 -33 7  8  o 103.2133 31.86966 375.1342       212.2381 438.5116       283.8569 294.7836       319.6148 109.4209 37.11147 96.79417 38.19074 12.62677       53.25217 
1 1 1 -33 7  9  o 70.02196 29.74520 65.60873       212.9417 -37.75677      282.9622 200.5901       323.3536 71.00719 32.04163 89.62818 37.27145 -18.62099      49.15106 
1 1 1 -33 7  10 o 91.96909 31.99589 287.5197       211.3883 238.9235       275.1852 357.4742       330.1659 89.55074 35.40446 101.6029 39.17714 -12.05218      52.80458 
1 1 1 -33 7  11 o 242.5113 17.00178 1821.671       240.2795 1765.052       321.3184 1893.496       361.9036 232.8484 23.86684 238.8024 26.27428 -5.954041      35.49597 
1 1 1 -33 7  12 o 165.1171 23.88536 895.4432       224.5874 1018.753       293.4460 721.0815       348.9438 171.0022 30.37277 134.1665 40.75859 36.83569       50.83078 
1 1 1 -33 7  13 o 105.9552 30.87281 402.1930       203.5168 524.1478       264.2463 224.3758       319.0776 117.9262 35.39200 89.89230 37.17062 28.03391       51.32492 
1 1 1 -33 7  14 o 68.60829 28.98601 75.04654       200.3712 301.7848       257.3601 -273.9284      319.2831 93.45084 34.92039 63.49696 30.36177 29.95388       46.27387 
1 1 1 -33 7  15 o 113.5793 27.92802 453.2816       184.7115 216.1240       233.3526 851.1860       302.2619 83.79696 32.76134 150.4804 34.92423 -66.68343      47.88536 
1 1 1 -33 7  16 o 122.9598 26.71387 524.9123       187.1214 571.5334       240.9857 454.1217       296.9531 123.7293 32.71580 107.2580 37.87668 16.47131       50.04964 
1 1 1 -33 7  17 o 209.8226 15.54075 1367.815       189.8807 1318.483       250.1998 1434.819       291.5912 200.9193 21.57053 206.6891 24.53303 -5.769806      32.66737 
1 1 1 -33 7  18 o 206.9977 16.18717 1341.248       194.9494 1677.568       259.8623 908.3019       294.8382 228.3705 19.59140 155.0159 33.41602 73.35460       38.73568 
1 1 1 -33 7  19 o 233.2543 15.15900 1691.405       206.2491 1601.468       287.1228 1787.289       296.4617 219.5551 22.62183 232.7663 21.97709 -13.21127      31.53949 
1 1 1 -33 7  20 o 136.2610 21.74790 619.3541       167.9568 790.1583       217.2767 365.7551       264.7510 151.0664 25.42628 96.49178 35.53684 54.57462       43.69625 
1 1 1 -33 7  21 o 229.2350 13.62877 1621.995       182.3994 1672.599       235.9120 1546.785       287.6044 228.9354 17.70816 213.9964 23.29136 14.93903       29.25861 
1 1 1 -33 7  22 o 89.66173 27.80878 295.9886       161.3887 204.0815       218.1912 407.0147       239.8143 78.92848 31.42229 100.2279 34.10953 -21.29938      46.37693 
1 1 1 -33 7  23 o 61.05423 25.76654 69.53567       158.0531 342.7697       217.1523 -238.2800      230.4848 93.04626 32.42555 51.91820 25.07280 41.12806       40.98856 
1 1 1 -33 7  24 o 55.64886 24.63176 10.09955       158.8655 -197.9812      208.2135 300.0085       245.7672 50.38176 24.20343 87.53103 33.78772 -37.14927      41.56219 
1 1 1 -33 7  25 o 65.90278 26.30666 125.8110       153.3338 -21.33337      211.3656 289.2736       222.7777 59.62196 27.21314 85.79292 32.39783 -26.17095      42.31046 
1 1 1 -33 7  26 o 48.78550 22.47075 -55.65874      148.6167 33.82948       197.1972 -173.3101      226.1082 61.52167 27.32569 53.36484 25.52603 8.156826       37.39347 
1 1 1 -33 7  27 o 65.22806 26.12716 125.2002       151.7790 62.66164       208.8045 195.2645       221.0110 64.40140 28.38404 75.83448 31.10249 -11.43308      42.10722 
1 1 1 -33 7  28 o 88.83848 26.75205 302.4566       150.7910 270.7262       204.6844 340.1166       222.9911 82.37979 31.06641 89.46981 32.66901 -7.090019      45.08199 
1 1 1 -33 7  29 o 110.9211 26.94505 469.8049       173.5262 535.3300       213.3018 341.5713       298.3954 113.8953 31.07547 87.41119 36.02559 26.48409       47.57654 
1 1 1 -33 7  30 o 95.26955 28.06139 360.0097       167.3545 365.2732       220.5861 352.8711       256.8907 91.52383 32.61291 88.67468 34.45776 2.849152       47.44406 
1 1 1 -33 8  1  o 159.0586 33.58271 892.5040       303.4263 1033.656       388.1615 670.7441       486.5303 165.2950 40.38985 128.1929 47.99096 37.10213       62.72538 
1 1 1 -33 8  2  o 134.2646 36.83410 664.2695       298.7370 691.9729       373.3780 614.9874       497.9976 132.9288 42.44585 124.1601 48.05064 8.768692       64.11329 
1 1 1 -33 8  3  o 329.3371 17.74769 3346.805       341.5276 3581.110       436.0253 2974.856       549.3659 336.0058 22.25194 294.1859 32.37579 41.81992       39.28538 
1 1 1 -33 8  4  f 183.0863 21.92841 1069.509       230.7798 1150.820       312.0082 971.2874       342.9214 183.9900 29.94361 163.1066 36.73453 20.88339       47.39246 
1 1 1 -33 8  5  o 252.9790 16.73932 1969.026       246.9583 1553.628       328.9173 2505.793       373.8932 217.2518 26.35325 279.9072 22.97841 -62.65540      34.96428 
1 1 1 -33 8  6  o 208.6358 29.68569 1476.940       352.9969 0.000000       0.000000 1476.940       352.9969 ?        ?        208.6358 29.68569 0.000000       29.68569 
1 1 1 -33 8  7  f 68.01812 29.29375 40.99173       211.7453 -119.5148      269.5340 299.7419       342.2217 65.19361 30.11170 98.05470 39.24690 -32.86109      49.46749 
1 1 1 -33 8  8  o 229.6344 17.37952 1633.969       232.3213 1640.566       306.9540 1625.121       355.4612 225.1626 23.59483 219.8481 28.21879 5.314499       36.78337 
1 1 1 -33 8  9  o 79.65104 30.56661 182.6069       200.3145 457.8516       255.7894 -253.8923      322.1179 111.5968 35.07037 65.27972 31.01192 46.31713       46.81528 
1 1 1 -33 8  10 o 191.2755 19.67291 1156.517       217.5448 1279.936       284.6957 983.3297       337.2469 196.9501 25.22600 162.9531 36.22679 33.99704       44.14444 
1 1 1 -33 8  11 o 66.44054 28.71452 37.42458       204.8476 153.0415       267.7948 -125.6453      318.0375 81.64886 33.93307 69.88763 32.42923 11.76122       46.93727 
1 1 1 -33 8  12 o 92.13481 31.12503 294.6309       199.6555 296.1991       255.1844 292.1558       320.5875 93.33557 34.79332 95.16203 38.02081 -1.826462      51.53791 
1 1 1 -33 8  13 o 145.8440 24.51219 708.6403       202.2331 619.1914       259.8693 845.9957       322.0256 129.1835 33.88599 148.6988 37.05980 -19.51526      50.21642 
1 1 1 -33 8  14 o 164.3256 21.47049 875.8203       201.9736 1144.406       262.1053 483.1957       316.9004 185.3860 24.72305 110.5860 39.12119 74.79999       46.27847 
1 1 1 -33 8  15 o 81.81720 29.93823 219.6858       187.4187 465.6944       241.4396 -153.3071      297.2923 110.9235 33.94452 65.43073 30.68665 45.49277       45.75916 
1 1 1 -33 8  16 o 75.67953 28.62385 176.1702       174.0568 348.9265       217.2450 -133.5283      290.8723 97.16179 32.46416 65.27060 30.52817 31.89119       44.56334 
1 1 1 -33 8  17 o 83.41859 29.10360 241.5110       174.9651 353.5019       223.6336 64.78448       280.9289 97.00101 32.93978 74.36160 32.84217 22.63941       46.51492 
1 1 1 -33 8  18 o 78.95586 28.82864 208.8098       173.6427 211.2906       220.9033 204.7984       280.9054 81.18721 31.83580 83.55061 34.74114 -2.363403      47.12181 
1 1 1 -33 8  19 o 216.5840 16.07558 1470.491       202.7384 1141.773       278.0321 1843.741       296.2666 180.5742 27.08826 236.7422 21.57495 -56.16794      34.63022 
1 1 1 -33 8  20 o 85.86259 29.53590 267.4294       179.9229 72.03143       243.7601 501.3015       266.6808 70.63116 30.91290 110.3703 35.92873 -39.73918      47.39705 
1 1 1 -33 8  21 o 91.03008 27.77938 303.6664       161.8475 395.9075       206.4053 156.4126       260.7908 101.1645 31.46071 77.50635 32.92099 23.65819       45.53645 
1 1 1 -33 8  22 o 164.7762 17.89939 875.8929       170.1991 998.2277       232.8484 735.5494       249.3988 170.2375 23.98619 138.4408 31.43695 31.79671       39.54263 
1 1 1 -33 8  23 o 68.76598 27.07956 141.9674       160.4150 179.5609       210.2501 89.59694       248.1547 75.53424 30.57578 70.86640 31.09816 4.667839       43.61163 
1 1 1 -33 8  24 o 113.8294 24.79208 463.2269       160.8104 477.4713       212.2020 444.0112       246.4652 109.3582 31.42389 102.1992 34.58152 7.158997       46.72625 
1 1 1 -33 8  25 o 70.41059 26.66031 165.3803       151.0933 53.23762       203.4735 303.2268       225.5903 63.71186 28.05208 87.06886 32.66146 -23.35699      43.05451 
1 1 1 -33 8  26 f 79.79604 27.13870 236.9459       151.8073 298.7061       209.6370 168.8532       220.1223 86.42977 31.65715 73.83793 30.73225 12.59184       44.12082 
1 1 1 -33 8  27 o 49.67867 22.52577 -25.50023      141.8657 32.86244       186.5772 -105.4856      218.4219 59.91911 26.59871 55.21473 26.02232 4.704380       37.21092 
1 1 1 -33 8  28 o 47.57492 21.95132 -53.46609      142.7076 154.3948       175.3375 -461.3738      245.6232 69.32710 27.97255 45.67868 22.77577 23.64842       36.07214 
1 1 1 -33 8  29 o 120.2870 24.89601 531.0165       169.8385 591.3674       211.8419 422.4311       284.1552 121.4658 29.93364 94.32251 36.35153 27.14328       47.08988 
1 1 1 -33 8  30 o 62.68118 26.40865 99.06890       165.5793 68.33150       214.6602 144.2243       260.1795 64.18784 28.50993 72.12053 31.73895 -7.932686      42.66354 
1 1 1 -33 9  1  f 111.9061 38.74700 460.6957       309.8316 487.8264       388.5193 413.3008       513.5090 114.2842 42.86451 111.5824 46.72717 2.701813       63.40973 
1 1 1 -33 9  2  f 117.2240 47.46355 515.4614       506.7880 0.000000       0.000000 515.4614       506.7880 ?        ?        117.2240 47.46355 0.000000       47.46355 
1 1 1 -33 9  3  o 235.9335 22.11231 1773.588       302.4013 2201.054       370.9817 927.1270       522.0417 260.6562 24.55738 144.8280 50.28734 115.8281       55.96322 
1 1 1 -33 9  4  o 227.2165 18.47140 1607.432       244.0233 1588.930       329.5573 1629.890       363.0743 219.7991 26.07280 220.1112 28.81706 -0.3121185     38.86147 
1 1 1 -33 9  5  o 57.81807 26.75127 -117.2776      214.0832 7.215230       283.5092 -282.4412      326.5517 73.84785 32.78456 64.99656 30.97549 8.851295       45.10331 
1 1 1 -33 9  6  o 328.7292 29.48810 3651.190       562.4733 0.000000       0.000000 3651.190       562.4733 ?        ?        328.7292 29.48810 0.000000       29.48810 
1 1 1 -33 9  7  o 60.12611 26.99165 -39.44425      197.8793 -155.9385      244.2066 183.2769       337.6649 59.93731 28.01365 89.25009 37.66349 -29.31279      46.93936 
1 1 1 -33 9  8  o 83.99475 30.37039 225.4736       192.0703 284.6154       235.7961 108.8548       331.1110 92.25145 33.60781 83.87046 36.37647 8.380989       49.52507 
1 1 1 -33 9  9  o 176.5402 19.76009 987.1683       201.0835 859.4255       259.1447 1180.468       318.7786 158.1648 29.00571 184.5337 30.52129 -26.36891      42.10559 
1 1 1 -33 9  10 o 286.0750 14.45284 2497.011       241.6987 2599.367       326.9814 2373.720       358.8663 287.3665 19.51737 271.2649 22.76725 16.10153       29.98792 
1 1 1 -33 9  11 o 159.9350 23.17278 836.8806       211.0315 712.8051       273.0770 1020.842       332.5109 139.4996 33.74852 166.5319 35.15107 -27.03229      48.72946 
1 1 1 -33 9  12 o 81.71008 31.04897 205.2419       205.3704 23.65632       265.1732 477.4093       324.6436 71.91205 31.82715 110.6716 39.55016 -38.75957      50.76596 
1 1 1 -33 9  13 o 86.62701 30.07882 256.0634       186.7711 433.9787       233.8689 -57.20869      310.3321 108.0560 33.46955 71.64998 32.80555 36.40601       46.86592 
1 1 1 -33 9  14 o 167.1843 20.32463 899.5078       195.1929 807.7975       250.0379 1042.603       312.3265 151.5679 29.18745 169.2919 32.64051 -17.72397      43.78710 
1 1 1 -33 9  15 o 68.68080 28.21768 103.4057       182.3210 101.8178       231.8110 105.9812       295.2177 73.25244 31.07298 78.76196 34.25288 -5.509514      46.24706 
1 1 1 -33 9  16 o 137.1686 24.42049 638.4630       189.2511 931.1400       251.0450 253.1844       288.0346 163.8140 27.07569 88.29587 35.77087 75.51814       44.86255 
1 1 1 -33 9  17 o 275.8549 12.64821 2320.822       204.0813 2347.912       261.3604 2278.500       326.6720 273.9775 16.33999 264.2879 21.25490 9.689545       26.80981 
1 1 1 -33 9  18 o 224.4779 14.58784 1560.310       191.0101 1433.802       242.1887 1768.498       310.6866 210.5018 19.85213 229.9294 23.36384 -19.42758      30.65903 
1 1 1 -33 9  19 o 182.5043 17.26853 1057.858       182.6345 877.4346       235.8809 1327.916       288.5857 158.5280 26.29160 196.1131 25.70951 -37.58505      36.77264 
1 1 1 -33 9  20 o 185.4132 17.01374 1092.394       182.9475 1107.613       237.0685 1069.985       287.6635 181.4174 22.78265 171.0161 29.76162 10.40131       37.48071 
1 1 1 -33 9  21 o 211.6097 14.64050 1396.341       180.5745 1487.678       239.4654 1275.943       274.9350 213.8786 19.29821 191.8376 25.03348 22.04092       31.60848 
1 1 1 -33 9  22 o 93.63787 27.78262 326.4749       163.5564 271.5817       204.7535 423.2523       271.8687 85.16533 31.27109 99.86569 36.12941 -14.70036      47.78300 
1 1 1 -33 9  23 o 50.69813 23.29906 -56.18162      158.5205 -127.0076      201.3198 59.38094       257.1572 52.81101 24.91796 69.46815 31.00777 -16.65714      39.77923 
1 1 1 -33 9  24 o 54.72758 24.27116 7.889090       154.9871 -147.1737      204.9874 214.8338       236.8103 52.05750 24.73302 79.08023 32.28644 -27.02273      40.67108 
1 1 1 -33 9  25 o 66.43395 26.47662 130.6847       155.0767 150.8098       205.2587 103.9191       236.7122 71.67982 29.74189 70.02819 30.55973 1.651634       42.64360 
1 1 1 -33 9  26 o 116.7171 22.93572 479.2435       151.3976 377.9804       198.6869 619.4452       233.7870 96.38819 30.98205 123.3189 32.03915 -26.93068      44.56898 
1 1 1 -33 9  27 o 47.43768 22.12927 -77.65919      151.2091 -111.9687      189.2845 -17.15071      251.3716 51.08571 24.12142 63.00327 29.09272 -11.91756      37.79192 
1 1 1 -33 9  28 o 44.83606 21.26884 -116.7086      150.4288 -220.0003      177.8409 143.0408       282.0176 44.21832 21.51074 73.80931 32.73660 -29.59099      39.17137 
1 1 1 -33 9  29 o 87.14048 27.49510 297.2469       157.0711 202.6220       191.0138 494.8371       276.0227 74.58947 29.49462 101.5535 36.44766 -26.96401      46.88673 
1 1 1 -33 9  30 o 95.05169 26.02072 347.2535       149.2658 372.3397       194.1734 311.0137       233.3808 93.78200 30.66631 84.72182 32.86499 9.060173       44.95031 
1 1 1 -33 10 1  o 156.4522 32.26258 860.2549       286.1906 736.2026       342.3179 1148.280       521.6055 138.1118 39.98073 161.7303 49.96571 -23.61852      63.99242 
1 1 1 -33 10 2  o 104.7576 36.49066 393.1790       274.9964 651.0729       326.7808 -232.6569      509.0567 130.1848 39.42094 83.46405 39.45414 46.72075       55.77311 
1 1 1 -33 10 3  o 253.8418 24.13165 2087.070       354.9373 0.000000       0.000000 2087.070       354.9373 ?        ?        253.8418 24.13165 0.000000       24.13165 
1 1 1 -33 10 4  o 105.5254 33.15120 397.6367       228.5789 103.4021       307.2834 762.1505       342.0181 81.95809 35.29302 140.4296 39.74573 -58.47153      53.15374 
1 1 1 -33 10 5  o 291.2325 22.17373 2708.348       375.8825 0.000000       0.000000 2708.348       375.8825 ?        ?        291.2325 22.17373 0.000000       22.17373 
1 1 1 -33 10 6  o 68.35156 29.04595 60.23958       203.1716 -105.0561      254.1310 353.0312       338.2254 63.81268 29.38935 101.5658 39.51816 -37.75309      49.24854 
1 1 1 -33 10 7  o 111.3263 32.97492 448.2796       230.5607 445.6099       263.5816 456.9770       475.7517 109.8633 35.71617 111.3632 45.64891 -1.499954      57.96092 
1 1 1 -33 10 8  o 84.43024 30.87062 227.8149       199.2164 349.1954       245.9998 -3.464087      339.5695 99.17947 34.51535 78.05083 35.17105 21.12864       49.27790 
1 1 1 -33 10 9  o 118.7294 28.44927 489.7414       195.5035 384.4170       238.8593 703.5078       340.2884 103.0054 34.02951 133.1396 40.20858 -30.13412      52.67578 
1 1 1 -33 10 10 o 209.0454 17.06346 1358.839       207.3800 1412.772       268.0843 1278.478       327.2426 209.1943 22.18896 191.9999 30.04597 17.19444       37.35117 
1 1 1 -33 10 11 o 172.3635 19.64016 945.1882       194.9988 951.5733       249.6777 935.2027       312.2335 168.1399 26.17098 159.4512 34.40023 8.688766       43.22379 
1 1 1 -33 10 12 o 105.5101 28.71662 393.8071       182.4115 399.7127       227.8174 383.2575       304.4877 104.1366 33.14466 101.6015 37.97988 2.535103       50.40873 
1 1 1 -33 10 13 o 142.5852 24.39818 681.4649       196.6948 704.9712       254.7891 646.7917       309.4469 139.0871 31.91361 127.1809 38.32882 11.90625       49.87561 
1 1 1 -33 10 14 f 60.68660 26.70898 8.144621       184.2783 -27.24255      241.2232 57.73959       285.5716 65.39355 29.53930 75.04060 33.12855 -9.647057      44.38548 
1 1 1 -33 10 15 o 85.32233 29.79263 253.7136       183.3696 385.6687       233.6279 42.00458       295.9247 100.8530 33.66537 74.54153 33.26831 26.31149       47.33009 
1 1 1 -33 10 16 o 112.1835 28.14339 452.2279       184.8283 694.7677       241.3862 108.5136       287.3557 137.6416 30.68607 77.51311 33.75068 60.12846       45.61517 
1 1 1 -33 10 17 o 199.6413 17.04574 1258.185       197.6725 1298.933       257.4460 1199.658       308.5430 197.7495 22.60391 182.5325 29.85306 15.21709       37.44519 
1 1 1 -33 10 18 o 85.00739 28.53038 257.9682       167.7644 217.0277       207.5036 335.2348       285.0657 80.86150 31.08997 93.87959 36.34835 -13.01810      47.83084 
1 1 1 -33 10 19 o 107.9032 27.87666 424.5104       177.6569 528.2614       224.7926 251.8891       289.9568 117.1977 31.87059 86.50616 35.56795 30.69151       47.75786 
1 1 1 -33 10 20 o 104.2848 27.74421 398.7749       172.6370 303.4365       223.7135 539.1321       271.4411 89.53468 32.71732 113.5253 36.18435 -23.99062      48.78247 
1 1 1 -33 10 21 f 86.74172 29.17159 280.1536       175.3840 551.9826       219.0049 -205.8700      292.8428 119.6650 30.96939 60.60079 29.00406 59.06417       42.43040 
1 1 1 -33 10 22 o 177.2018 17.42681 1010.570       178.7670 945.6981       222.3012 1129.307       300.7491 165.6312 23.54758 172.6273 30.83776 -6.996017      38.80021 
1 1 1 -33 10 23 o 87.27713 27.63172 285.4454       158.5138 279.4418       200.7937 295.3754       258.2362 85.33150 31.02420 86.91837 34.31774 -1.586861      46.26239 
1 1 1 -33 10 24 o 76.84769 27.61900 213.4810       158.5588 68.77666       208.4215 412.2932       244.2999 65.37139 28.59829 98.18739 34.38074 -32.81600      44.72022 
1 1 1 -33 10 25 o 69.49020 26.70837 158.5585       153.0990 114.1339       206.3114 213.0044       228.3989 68.49316 29.19340 78.09837 31.77452 -9.605217      43.14944 
1 1 1 -33 10 26 o 77.88768 27.13721 225.7421       152.0924 250.0332       195.9268 188.9085       241.2637 80.67790 30.40112 75.98312 31.93747 4.694778       44.09342 
1 1 1 -33 10 27 o 125.7139 23.73329 565.7756       168.5687 457.3416       210.6973 758.6160       280.9800 104.4711 31.65805 130.6946 35.66928 -26.22342      47.69203 
1 1 1 -33 10 28 o 88.36855 32.67942 334.2463       224.2830 1022.300       418.5573 57.10803       265.6391 132.5360 45.06321 67.72555 30.75425 64.81045       54.55746 
1 1 1 -33 10 29 o 78.72938 26.64289 236.8949       146.2954 238.8288       183.1124 233.4822       243.2525 78.30195 29.41496 78.31269 32.42540 -0.1074219E-01 43.77953 
1 1 1 -33 11 1  f 94.10081 34.75040 294.6617       253.4546 329.6224       292.8802 190.3954       505.7914 98.60263 37.16651 99.06139 43.89384 -0.4587631     57.51538 
1 1 1 -33 11 2  o 224.1273 21.26672 1597.816       276.1964 1352.627       320.2359 2309.903       545.7405 200.5868 27.98239 249.9279 38.46392 -49.34109      47.56561 
1 1 1 -33 11 3  o 168.0009 24.16944 923.4489       231.2935 1055.211       316.8527 773.1510       338.4070 173.1010 32.40158 141.5468 39.34850 31.55417       50.97221 
1 1 1 -33 11 4  o 71.47707 31.06690 42.60785       242.5625 162.2582       276.7009 -354.5208      504.1029 83.46619 34.57325 78.94264 37.85480 4.523544       51.26690 
1 1 1 -33 11 5  o 229.7456 17.58495 1639.943       235.1395 1537.191       314.0344 1771.067       354.7507 216.1738 25.24455 230.7280 26.70907 -14.55415      36.75135 
1 1 1 -33 11 6  o 135.5488 30.21873 643.5714       234.0949 814.0856       268.1471 97.20117       479.9945 152.2514 31.08310 92.85580 41.83141 59.39559       52.11550 
1 1 1 -33 11 7  o 58.37352 26.51856 -62.53043      197.7610 -348.2920      243.5978 489.9011       338.6966 51.60320 25.11953 112.6531 40.38096 -61.04990      47.55642 
1 1 1 -33 11 8  o 63.21910 27.54319 18.57549       191.6155 50.21627       240.7952 -36.05397      316.4008 71.45007 31.00511 73.98016 33.58258 -2.530090      45.70675 
1 1 1 -33 11 9  o 172.9070 19.80611 950.9615       197.2250 1066.559       248.2775 753.2620       324.6875 179.9974 24.12608 138.9850 38.50724 41.01241       45.44090 
1 1 1 -33 11 10 o 181.7213 18.26945 1039.419       192.0679 1198.379       240.0108 756.3380       320.2890 192.7094 21.60793 139.1904 38.12127 53.51901       43.81933 
1 1 1 -33 11 11 o 62.97178 26.49592 58.63963       166.3245 -56.20602      201.9760 300.6021       293.1679 58.95854 26.79036 94.08037 36.73858 -35.12183      45.46918 
1 1 1 -33 11 12 o 65.22263 27.17159 76.11294       172.3006 62.07540       214.9620 101.3375       288.1562 68.82072 29.57586 78.40121 33.96993 -9.580482      45.04095 
1 1 1 -33 11 13 o 68.39447 27.64646 110.6424       171.6195 59.94503       218.7731 191.7577       276.7275 68.81047 29.70638 83.65432 34.60598 -14.84385      45.60748 
1 1 1 -33 11 14 f 120.3395 26.39676 504.4791       181.1631 578.7800       228.8267 379.6909       296.5491 125.2326 31.25644 99.49278 37.42095 25.73985       48.75749 
1 1 1 -33 11 15 o 44.72800 21.73829 -253.4743      180.4748 -125.3314      231.9617 -450.0251      287.2805 58.34892 27.28140 53.11787 26.14874 5.231045       37.78930 
1 1 1 -33 11 16 o 125.1390 26.80115 551.6462       190.7696 560.3775       244.6586 538.1042       304.6922 120.4054 33.45178 113.3518 38.44930 7.053612       50.96440 
1 1 1 -33 11 17 o 228.4067 15.72750 1629.599       209.3919 1600.162       276.8572 1668.944       320.0709 220.4116 21.69865 221.1565 25.12184 -0.7449036     33.19546 
1 1 1 -33 11 18 o 82.88450 29.49437 243.3371       180.3589 222.3448       229.8621 276.9639       290.9238 81.98098 32.37467 88.68214 35.94165 -6.701157      48.37273 
1 1 1 -33 11 19 o 272.4005 12.76843 2274.839       203.4162 2211.410       257.7956 2379.486       331.1265 264.5307 16.70212 268.6756 21.18562 -4.144897      26.97761 
1 1 1 -33 11 20 o 142.6835 22.82315 693.2411       184.5517 643.2541       230.3022 782.9431       308.5109 130.1340 30.67938 135.6684 37.51559 -5.534332      48.46281 
1 1 1 -33 11 21 o 99.24503 28.49276 370.8767       174.5346 439.4763       216.5268 243.6227       294.9079 104.9735 32.14974 84.39787 35.38165 20.57562       47.80656 
1 1 1 -33 11 22 o 76.47200 27.83854 206.0297       161.7463 177.0931       197.4055 265.1406       282.1428 74.50973 29.81297 85.10633 35.04861 -10.59660      46.01324 
1 1 1 -33 11 23 o 60.32025 25.73009 64.08710       160.4866 136.1896       205.7740 -47.87211      256.4161 70.73865 29.59826 62.93100 29.17264 7.807644       41.55840 
1 1 1 -33 11 24 o 69.70194 26.89389 158.2365       155.6600 367.1607       204.3588 -130.4986      240.2420 95.11417 31.47826 57.02661 27.00067 38.08757       41.47188 
1 1 1 -33 11 25 o 63.56322 25.48401 114.2696       144.5378 98.81230       179.4275 142.8391       243.9342 64.91603 27.42787 72.94891 31.42968 -8.032883      41.71466 
1 1 1 -33 11 26 o 89.89525 26.99508 309.5916       153.7000 423.9139       196.3529 128.7091       246.9847 102.0541 30.48045 71.54494 31.21881 30.50916       43.63109 
1 1 1 -33 11 27 o 67.46295 26.77164 145.6863       157.8954 260.5380       203.2651 -29.06105      250.7260 81.15147 30.87697 62.08595 28.80378 19.06552       42.22612 
1 1 1 -33 11 28 o 98.37888 26.07378 367.3951       152.8401 399.9785       188.8784 305.5881       260.1378 98.85745 29.97766 84.80226 34.12283 14.05519       45.42056 
1 1 1 -33 11 29 o 144.8920 21.25330 729.6973       175.2351 505.8462       206.8202 1299.328       329.9210 110.0941 30.81913 176.3139 33.12189 -66.21976      45.24244 
1 1 1 -33 12 1  o 110.3397 35.02620 446.8297       254.5577 566.5098       295.9221 106.2447       499.2054 122.0698 37.62119 94.55836 42.62386 27.51142       56.85197 
1 1 1 -33 12 2  o 114.8643 31.50444 470.7960       218.5701 557.0326       277.1511 328.9297       355.4758 121.9444 36.16187 100.0349 40.01315 21.90952       53.93267 
1 1 1 -33 12 3  o 317.6263 16.23986 3103.907       301.5124 3023.409       361.5961 3287.585       546.2084 309.7501 20.01208 309.4541 30.49190 0.2959900      36.47245 
1 1 1 -33 12 4  o 181.3292 20.68085 1048.157       216.0039 1053.970       283.0366 1040.050       334.2667 175.9845 28.38898 169.0343 34.87606 6.950180       44.96970 
1 1 1 -33 12 5  o 225.4646 17.43530 1580.693       228.7563 1190.480       307.7105 2062.785       342.0237 186.4375 29.09175 252.2174 23.38870 -65.77992      37.32775 
1 1 1 -33 12 6  f 104.2219 31.23775 388.0232       205.9552 258.2767       276.2219 550.4601       309.0671 90.77406 35.59817 119.0156 38.67411 -28.24155      52.56345 
1 1 1 -33 12 7  o 126.8066 47.17259 708.8554       468.6048 0.000000       0.000000 708.8554       468.6048 ?        ?        126.8066 47.17259 0.000000       47.17259 
1 1 1 -33 12 8  o 204.5091 17.65332 1307.745       209.6628 1158.800       271.9596 1525.966       329.1845 186.3489 25.55693 212.7062 26.99533 -26.35730      37.17398 
1 1 1 -33 12 9  o 100.0325 29.04887 353.8535       180.4527 483.7737       227.5655 133.7715       296.1831 114.8047 32.39549 81.66866 34.89869 33.13609       47.61708 
1 1 1 -33 12 10 o 119.4728 26.32875 490.8063       179.4982 398.6373       221.7403 666.0156       305.7247 104.0785 32.64515 129.9586 37.83122 -25.88014      49.96906 
1 1 1 -33 12 11 o 111.4059 29.14072 443.4940       192.5366 515.7399       245.1827 327.2749       310.9726 116.8634 33.83805 96.23485 37.76173 20.62853       50.70465 
1 1 1 -33 12 12 o 78.75362 29.64456 195.6340       186.1870 64.69592       238.2907 400.8644       298.3286 71.10505 30.84950 102.0180 37.69651 -30.91299      48.71056 
1 1 1 -33 12 13 o 140.0251 22.70493 652.2791       180.0760 563.4772       227.5850 800.9613       294.4841 123.3737 31.38406 144.1395 35.15543 -20.76583      47.12604 
1 1 1 -33 12 14 o 113.0594 26.66834 450.2414       173.9440 381.0674       214.8222 581.9403       296.4140 100.6035 32.20350 119.0263 37.79780 -18.42283      49.65620 
1 1 1 -33 12 15 o 69.24223 27.93522 121.9910       174.8486 -12.40797      216.2320 375.8704       297.1910 62.72585 28.18253 98.20205 37.34229 -35.47620      46.78356 
1 1 1 -33 12 16 o 125.0414 26.97610 553.5482       192.0094 673.6329       251.3866 385.3887       297.4806 133.2014 32.47730 98.63445 37.39453 34.56698       49.52904 
1 1 1 -33 12 17 o 129.7404 26.16925 591.8989       192.2427 669.0538       248.6665 477.2811       303.0829 132.3716 32.31712 106.3354 38.18900 26.03616       50.02795 
1 1 1 -33 12 18 o 112.8632 29.62877 476.0137       198.5706 322.8316       255.0044 711.9800       316.4964 91.79295 34.66238 128.3980 38.77766 -36.60508      52.01142 
1 1 1 -33 12 19 o 240.2607 15.24307 1806.820       213.6784 1320.380       264.2991 2724.762       363.0684 197.1990 23.30247 286.1503 21.79838 -88.95135      31.90885 
1 1 1 -33 12 20 o 170.8726 18.67182 949.4132       184.0734 907.5709       225.0587 1033.962       319.9199 161.6310 24.51007 160.3202 35.00865 1.310852       42.73581 
1 1 1 -33 12 21 o 185.1608 16.90105 1097.463       181.5113 1292.495       228.6129 764.8310       298.5580 197.8584 19.97454 133.5073 36.90066 64.35106       41.95999 
1 1 1 -33 12 22 o 87.14318 27.22885 283.5897       154.4155 294.0309       194.9787 266.0233       252.9032 87.06145 30.69639 84.15784 33.72032 2.903618       45.59965 
1 1 1 -33 12 23 o 46.99608 22.03414 -95.96525      153.0765 22.79150       197.0216 -276.8387      243.1488 60.90990 27.16753 51.57339 25.10307 9.336506       36.98971 
1 1 1 -33 12 24 o 62.33458 25.94205 91.71247       156.8292 48.39002       200.5652 159.8805       251.5877 62.90371 27.76721 74.80933 32.07026 -11.90561      42.42075 
1 1 1 -33 12 25 o 171.9649 16.22907 951.6658       161.7398 1207.910       206.3607 543.5501       260.4302 191.2657 18.63261 110.0790 35.47898 81.18668       40.07408 
1 1 1 -33 12 26 o 96.62664 27.25787 360.1188       161.1342 406.7803       205.3985 285.4448       259.8376 98.57640 31.48234 83.65444 33.94407 14.92196       46.29620 
1 1 1 -33 12 27 o 118.2566 25.06053 514.1368       168.3992 556.3033       222.7082 457.8405       257.3310 115.3271 31.86837 99.64973 35.25299 15.67732       47.52227 
1 1 1 -33 12 28 o 45.23176 21.47180 -117.4452      153.8472 -61.82716      190.9583 -220.3220      259.7105 53.68076 24.98353 54.43920 26.36852 -0.7584419     36.32459 
1 1 1 -33 13 1  o 112.6009 33.01383 461.9532       232.0917 519.1064       258.1593 221.0510       530.0146 118.1355 34.86728 100.1945 44.63274 17.94093       56.63752 
1 1 1 -33 13 2  o 122.2896 40.69634 596.2858       341.4532 0.000000       0.000000 596.2858       341.4532 ?        ?        122.2896 40.69634 0.000000       40.69634 
1 1 1 -33 13 3  o 101.2712 30.37914 363.2099       194.7270 268.2420       234.9021 571.8406       348.1671 90.00957 33.41493 119.5814 41.08842 -29.57182      52.96051 
1 1 1 -33 13 4  o 142.9364 24.26689 677.3298       196.1597 474.5030       236.0092 1130.507       352.7770 113.7053 33.27853 175.0693 35.57351 -61.36398      48.71278 
1 1 1 -33 13 5  o 316.8492 13.64307 3053.072       252.9276 3102.246       346.7131 2997.135       369.7883 314.3098 18.89609 306.9567 20.66154 7.353088       27.99931 
1 1 1 -33 13 6  o 195.6945 18.14311 1202.505       205.8580 873.7874       267.3283 1681.422       322.6740 157.9563 29.95318 225.5475 24.80240 -67.59128      38.88897 
1 1 1 -33 13 7  o 61.79175 27.09875 9.943921       188.1618 -208.6869      242.7102 339.2831       297.8888 56.68766 26.92706 97.82543 37.34114 -41.13778      46.03724 
1 1 1 -33 13 8  o 81.54529 30.11625 213.2778       190.3697 254.2255       253.6749 160.4868       288.0331 88.55146 34.28780 82.77656 34.85051 5.774902       48.88978 
1 1 1 -33 13 9  o 81.72219 37.61628 -21.43336      415.4894 0.000000       0.000000 -21.43336      415.4894 ?        ?        81.72219 37.61628 0.000000       37.61628 
1 1 1 -33 13 10 o 159.0667 20.19640 815.3835       184.1683 689.7787       230.0109 1039.760       307.4217 139.7233 29.01894 169.2943 32.13802 -29.57106      43.30071 
1 1 1 -33 13 11 o 59.75276 25.89645 25.76690       167.5492 -8.910644      204.4416 96.70265       292.4002 61.99654 27.66181 77.85768 33.97080 -15.86115      43.80858 
1 1 1 -33 13 12 o 49.00924 22.88729 -108.9205      162.4606 -159.2156      194.8009 5.972088       294.4247 51.49339 24.36079 72.36282 32.66592 -20.86943      40.74936 
1 1 1 -33 13 13 o 178.8845 17.87462 1015.903       185.0169 1062.469       230.8443 932.2614       309.3813 179.1895 22.45818 155.9652 34.71664 23.22433       41.34749 
1 1 1 -33 13 14 o 162.0489 20.84556 859.1603       193.5281 800.6145       251.6592 943.8894       302.7480 148.6627 29.90145 157.6536 33.76127 -8.990952      45.09900 
1 1 1 -33 13 15 o 200.8784 16.72426 1271.241       195.2436 1454.722       251.4377 992.5937       309.8581 211.3667 20.54231 161.2937 33.83780 50.07297       39.58514 
1 1 1 -33 13 16 o 148.3746 21.95080 733.9672       185.2555 799.8699       233.6365 622.3658       304.0351 150.0909 27.55735 121.0239 38.26200 29.06694       47.15282 
1 1 1 -33 13 17 o 169.2052 20.18868 937.9295       196.3944 861.5438       246.3836 1071.039       325.2444 154.8950 28.15908 165.5561 34.61328 -10.66107      44.62077 
1 1 1 -33 13 18 o 183.3295 18.99767 1090.512       201.3029 877.9450       247.0963 1510.008       347.1225 156.0294 28.03316 202.5493 30.13817 -46.51988      41.16026 
1 1 1 -33 13 19 o 253.7740 14.38709 2004.859       213.2496 2019.711       278.6909 1983.880       331.2293 249.1637 19.22008 240.8633 23.75707 8.300308       30.55830 
1 1 1 -33 13 20 o 127.2235 25.99467 580.4310       187.3964 226.3549       238.4437 1152.436       303.0661 81.04645 32.64885 174.6877 30.70181 -93.64120      44.81683 
1 1 1 -33 13 21 o 71.52390 28.19181 161.5298       174.0066 390.5018       231.6401 -135.0153      263.6137 97.21558 33.51016 59.81595 28.31015 37.39963       43.86793 
1 1 1 -33 13 22 o 85.43650 28.21335 276.3507       164.1930 334.4257       211.7490 188.7773       260.0239 91.09333 31.99992 77.82860 32.95728 13.26473       45.93666 
1 1 1 -33 13 23 o 49.39315 22.70290 -52.10680      150.5940 -27.49593      188.6877 -95.29137      249.9450 56.42081 25.73664 59.69583 28.04137 -3.275021      38.06170 
1 1 1 -33 13 24 o 124.3141 23.08734 543.5784       162.1285 689.4806       204.4120 296.1281       266.2069 136.9861 26.40088 85.53732 34.48340 51.44882       43.42939 
1 1 1 -33 13 25 o 115.9641 23.35266 479.2172       153.3225 640.9689       190.0901 178.0706       259.3727 132.5214 25.38199 75.57473 32.48317 56.94671       41.22380 
1 1 1 -33 13 26 o 80.58205 27.99854 250.4351       161.8430 82.28683       210.3057 494.6408       253.4445 65.42268 28.67122 104.2330 35.06772 -38.81031      45.29662 
1 1 1 -33 13 27 o 49.62909 23.14535 -73.63538      165.2357 -203.4047      219.4643 96.20029       251.0685 50.59066 24.44012 69.03935 30.73883 -18.44869      39.27079 
1 1 1 -33 13 28 o 103.4281 26.88498 414.3286       164.5627 373.8020       217.0928 469.0709       252.3115 92.31831 32.40347 100.1098 34.94790 -7.791496      47.65858 
1 1 1 -33 14 1  o 74.16184 30.75452 115.5327       219.3016 403.2159       244.6431 -1061.258      494.7950 104.5515 34.43456 62.11850 31.17061 42.43296       46.44723 
1 1 1 -33 14 2  o 101.0434 30.82272 365.1713       199.2784 401.8516       243.6340 291.0254       346.3898 104.3618 34.36306 95.68830 39.05544 8.673546       52.02064 
1 1 1 -33 14 3  f 377.2360 15.19429 4366.468       335.4706 4306.800       411.2288 4485.176       580.0297 370.0555 19.01185 364.9293 27.29918 5.126282       33.26703 
1 1 1 -33 14 4  o 177.6702 19.99830 1007.670       204.7661 886.8006       253.7748 1233.188       346.6418 160.6549 27.94861 184.7654 33.21041 -24.11049      43.40572 
1 1 1 -33 14 5  o 123.6637 26.77962 526.3360       188.5875 423.6165       232.8345 722.2553       321.5582 106.9200 33.43954 134.9953 38.64846 -28.07531      51.10681 
1 1 1 -33 14 6  o 73.41040 28.87728 145.5883       182.2478 204.5891       221.3741 21.49747       321.0461 82.15889 31.96995 76.62222 34.39012 5.536667       46.95485 
1 1 1 -33 14 7  o 88.55788 28.74850 273.1438       170.8057 294.9419       206.9973 226.6335       302.3641 91.41165 31.66967 88.17747 36.29495 3.234177       48.16940 
1 1 1 -33 14 8  o 47.91804 22.73669 -161.2023      172.1252 38.58279       210.4605 -564.7778      299.1241 66.38794 28.89560 51.91139 25.75801 14.47655       38.70956 
1 1 1 -33 14 9  o 168.2759 19.29564 906.2214       186.9877 1010.504       238.3053 739.1573       301.6266 174.0396 23.98424 137.1143 36.76020 36.92531       43.89255 
1 1 1 -33 14 10 o 79.04568 28.83183 204.8674       173.6160 226.0053       217.8807 168.1007       287.3529 83.27608 31.89863 82.13599 34.70712 1.140083       47.13923 
1 1 1 -33 14 11 o 89.16602 39.05253 199.1769       389.6365 0.000000       0.000000 199.1769       389.6365 ?        ?        89.16602 39.05253 0.000000       39.05253 
1 1 1 -33 14 12 o 145.5903 20.81540 693.7911       172.6804 517.1081       208.1673 1083.608       309.2043 118.8577 29.89540 171.7129 31.87709 -52.85516      43.70221 
1 1 1 -33 14 13 o 98.06965 27.88078 346.4831       167.9196 315.4693       200.3252 419.7654       307.9344 92.54347 31.17715 102.0531 38.18498 -9.509598      49.29612 
1 1 1 -33 14 14 o 51.82033 23.73893 -61.97829      162.7877 58.13377       194.3266 -344.5807      298.0759 65.16805 28.06462 57.32133 27.87665 7.846725       39.55667 
1 1 1 -33 14 15 o 85.09509 28.88320 259.7502       171.9417 358.2933       208.1116 47.81859       305.1976 97.03014 31.74907 74.42284 33.45630 22.60729       46.12296 
1 1 1 -33 14 16 o 97.49088 29.92834 356.8203       187.4995 433.2368       233.9463 219.5773       313.5218 104.5100 33.62139 85.00967 36.10162 19.50036       49.33280 
1 1 1 -33 14 17 o 108.0644 27.76752 428.1243       176.9193 290.6071       210.2792 761.3577       327.3348 88.06533 31.78612 131.6030 39.36651 -43.53770      50.59723 
1 1 1 -33 14 18 o 146.4776 21.99955 724.1000       183.1544 519.1288       226.6266 1110.079       310.9900 114.6158 32.32389 170.1024 32.35548 -55.48659      45.73523 
1 1 1 -33 14 19 o 170.0662 19.45605 949.9756       190.5658 977.3553       246.2742 909.1177       300.8446 165.7901 26.19783 149.6129 34.92495 16.17717       43.65866 
1 1 1 -33 14 20 o 146.4979 21.58913 726.7830       179.9342 908.1998       235.3886 471.7581       279.0861 159.4089 26.07900 103.4991 36.70353 55.90982       45.02514 
1 1 1 -33 14 21 o 103.4545 28.07493 406.1318       174.6511 646.4025       228.9821 71.93037       270.0570 128.7066 30.75607 70.72536 31.65767 57.98126       44.13778 
1 1 1 -33 14 22 o 50.20635 23.39978 -82.85828      168.4618 -86.99883      217.9418 -76.71231      265.5259 56.60423 26.45861 62.21901 29.12258 -5.614784      39.34695 
1 1 1 -33 14 23 o 138.5159 20.80749 651.3792       163.8127 763.0295       199.3727 419.3917       287.3876 147.0090 23.94804 96.20161 36.68780 50.80743       43.81213 
1 1 1 -33 14 24 o 69.39197 26.86471 160.2325       155.7075 179.3627       194.2985 125.8943       260.3143 73.12838 29.46747 72.26208 31.77613 0.8662949      43.33652 
1 1 1 -33 14 25 o 44.32588 21.06041 -121.7085      148.6568 -94.53158      180.4335 -179.1395      262.2953 50.74010 23.83157 56.63525 27.19665 -5.895145      36.16077 
1 1 1 -33 14 26 o 90.86470 27.66146 322.7994       160.6061 437.2521       207.8547 153.2215       253.0064 101.9375 31.54965 73.07518 31.74538 28.86237       44.75656 
1 1 1 -33 14 27 o 47.30729 22.29486 -98.34487      160.3058 -144.1746      207.3755 -30.29421      252.6969 51.47162 24.57265 61.77156 28.74595 -10.29994      37.81726 
1 1 1 -33 15 1  o 74.83138 29.71183 149.7496       194.5820 314.5450       241.6290 -154.2842      328.1992 94.12662 34.05981 68.91327 32.29510 25.21335       46.93660 
1 1 1 -33 15 2  o 104.4012 30.28062 392.7845       196.1888 356.8050       240.7720 463.8714       338.4336 98.66689 34.15718 108.3685 40.13095 -9.701584      52.69921 
1 1 1 -33 15 3  o 398.4168 14.86485 4872.106       346.7260 4694.245       430.6528 5199.840       584.5844 385.5173 19.10681 395.2711 25.35112 -9.753845      31.74508 
1 1 1 -33 15 4  o 168.7764 20.42696 917.1193       198.0836 938.4405       245.2968 877.1551       335.8308 166.4306 25.97924 149.1383 38.22312 17.29233       46.21610 
1 1 1 -33 15 5  o 212.1806 15.69034 1395.040       193.8675 1388.727       234.9790 1408.500       343.0849 208.7883 19.41226 199.7623 30.22851 9.025986       35.92491 
1 1 1 -33 15 6  o 170.3474 18.31390 920.1817       180.0941 1003.327       215.8830 729.8901       326.5946 175.6303 21.40021 133.8718 39.13828 41.75844       44.60688 
1 1 1 -33 15 7  o 57.53280 25.22122 7.210151       162.8499 116.1340       191.3088 -279.3939      310.3234 70.74989 28.96806 61.63885 29.59487 9.111038       41.41261 
1 1 1 -33 15 8  o 64.08238 26.78919 72.88332       168.3425 238.1626       201.4473 -309.7301      306.5013 84.01096 30.98836 60.03190 28.97190 23.97905       42.42228 
1 1 1 -33 15 9  o 110.9777 29.19342 446.0624       192.5228 346.5446       246.4949 601.7357       308.2938 96.24129 34.45468 120.7824 38.56966 -24.54115      51.71792 
1 1 1 -33 15 10 o 79.47035 28.57260 211.3330       169.7155 255.9803       205.8681 116.6236       299.8388 85.80315 31.38031 79.12743 34.46447 6.675720       46.61034 
1 1 1 -33 15 11 o 109.0481 26.86309 421.1986       170.6592 567.9810       208.8673 126.3931       296.0065 125.4672 28.97050 79.27352 34.38834 46.19372       44.96496 
1 1 1 -33 15 12 o 156.4861 19.73968 793.9476       177.1389 790.6146       220.7202 799.9792       296.9214 151.3477 25.79039 142.4939 35.62755 8.853821       43.98257 
1 1 1 -33 15 13 o 67.35465 32.65681 -343.2064      400.9116 0.000000       0.000000 -343.2064      400.9116 ?        ?        67.35465 32.65681 0.000000       32.65681 
1 1 1 -33 15 14 o 75.93589 28.96386 185.0122       179.1358 391.5130       219.3515 -228.4879      310.3971 100.5987 32.57261 62.39984 29.86392 38.19883       44.19082 
1 1 1 -33 15 15 o 129.6527 24.05496 578.1859       176.1769 635.3452       211.7200 449.5056       317.6688 132.5847 28.10199 102.8375 38.71944 29.74722       47.84263 
1 1 1 -33 15 16 o 61.13950 26.00323 60.08979       163.0726 195.6803       191.4732 -298.0000      311.1639 77.11787 29.80831 59.55695 28.85101 17.56092       41.48392 
1 1 1 -33 15 17 o 75.05105 28.77724 185.2268       177.4474 201.3258       223.6936 157.9016       291.4314 78.74808 31.65789 78.81715 34.15626 -0.6906891E-01 46.57115 
1 1 1 -33 15 18 o 138.3624 21.54947 646.0124       169.1731 465.1933       207.5313 1004.148       292.0688 109.1538 30.98310 161.5016 31.96782 -52.34787      44.51847 
1 1 1 -33 15 19 o 132.4056 23.56485 609.7042       176.2796 658.2152       222.5669 528.0505       288.7543 131.9051 29.50988 108.6843 37.41599 23.22078       47.65280 
1 1 1 -33 15 20 o 63.32685 26.86898 81.49795       173.3980 205.5663       227.3691 -90.96513      268.0705 78.06107 31.72377 62.07087 29.12001 15.99020       43.06242 
1 1 1 -33 15 21 o 45.11705 21.67763 -173.4911      167.1728 -190.4417      210.0743 -144.2216      276.0507 50.70354 24.34586 60.34794 28.68044 -9.644402      37.62032 
1 1 1 -33 15 22 o 59.71965 26.00369 47.54660       170.5872 199.1833       219.2397 -185.1131      271.5673 76.58080 31.14062 58.02813 27.81483 18.55267       41.75408 
1 1 1 -33 15 23 o 60.47229 25.82190 70.05771       161.9350 34.66760       197.6734 142.2679       282.3621 61.29377 27.28356 74.63474 32.94594 -13.34096      42.77648 
1 1 1 -33 15 24 f 42.90681 20.62637 -158.8985      151.8030 -237.2298      181.8433 21.19807       275.7290 44.23019 21.56883 66.94367 30.75143 -22.71348      37.56148 
1 1 1 -33 15 25 o 68.00317 26.38855 153.5509       150.5021 214.9268       181.4314 18.13712       269.4913 76.05552 29.11453 66.07745 30.37116 9.978073       42.07212 
1 1 1 -33 15 26 o 50.74379 23.28554 -38.65613      157.5351 -61.35786      199.5948 -1.148407      256.5548 54.83710 25.52863 63.77231 29.42761 -8.935207      38.95760 
1 1 1 -33 16 1  o 53.27719 24.73049 -103.5549      185.2092 -200.4781      227.3028 87.91490       319.4782 54.55408 25.95490 79.67068 35.11181 -25.11660      43.66344 
1 1 1 -33 16 2  o 87.88392 30.11763 270.2324       187.0303 316.2530       228.9053 177.8062       324.3975 93.59235 33.23546 85.47544 36.52420 8.116913       49.38232 
1 1 1 -33 16 3  o 197.8657 30.97436 1399.160       347.6553 0.000000       0.000000 1399.160       347.6553 ?        ?        197.8657 30.97436 0.000000       30.97436 
1 1 1 -33 16 4  o 157.3913 19.29080 794.0579       174.3475 703.5397       207.1607 1013.852       322.8100 143.6634 25.52234 164.0641 34.63815 -20.40071      43.02547 
1 1 1 -33 16 5  o 170.5430 34.69928 1096.090       335.2369 0.000000       0.000000 1096.090       335.2369 ?        ?        170.5430 34.69928 0.000000       34.69928 
1 1 1 -33 16 6  o 76.10473 27.78830 185.9145       161.3379 210.7647       187.8250 115.9724       315.1071 80.33456 29.86883 80.51988 35.19606 -0.1853180     46.16177 
1 1 1 -33 16 7  o 61.24139 26.53433 31.98635       175.8073 -77.85715      208.9674 298.0745       325.2402 58.03032 26.69861 93.13264 37.90740 -35.10232      46.36580 
1 1 1 -33 16 8  o 51.14511 23.97744 -124.8206      181.2045 -31.81777      216.9916 -339.1149      329.3821 61.81146 27.95966 61.33966 29.70721 0.4718018      40.79536 
1 1 1 -33 16 9  o 42.66544 20.71585 -230.4312      162.8441 -226.8662      190.8723 -239.9670      312.1691 47.57294 22.93512 62.81881 30.03319 -15.24586      37.78905 
1 1 1 -33 16 10 o 198.0348 16.65749 1232.863       191.6729 1212.501       238.1487 1270.310       322.9618 192.2335 21.49094 187.5714 30.39805 4.662125       37.22771 
1 1 1 -33 16 11 o 113.1964 26.99331 456.0006       176.6712 596.2796       214.4213 159.4314       311.7702 128.0883 29.19523 81.94372 35.41962 46.14457       45.90110 
1 1 1 -33 16 12 o 125.0462 25.85462 547.5038       183.3430 480.6831       229.1032 666.5139       305.7508 111.3020 32.84555 125.8619 38.13548 -14.55994      50.33035 
1 1 1 -33 16 13 o 126.7447 23.77643 550.0347       170.2464 586.7839       202.9220 462.6821       312.8549 127.6466 27.88794 104.5175 38.60635 23.12910       47.62549 
1 1 1 -33 16 14 o 51.62724 23.62653 -55.74391      160.7068 68.96379       187.9396 -394.9668      309.9661 64.89540 27.76704 56.63480 27.73349 8.260597       39.24481 
1 1 1 -33 16 15 o 133.1962 45.64808 905.2379       429.6518 0.000000       0.000000 905.2379       429.6518 ?        ?        133.1962 45.64808 0.000000       45.64808 
1 1 1 -33 16 16 f 45.98205 21.80297 -134.7296      157.7459 -195.7533      189.5831 2.591793       284.3934 48.08289 23.09806 69.15577 31.56521 -21.07288      39.11371 
1 1 1 -33 16 17 o 96.77293 27.67689 348.5740       164.9864 419.9299       203.2461 210.7062       282.5132 103.5639 31.02955 81.58231 34.44035 21.98164       46.35699 
1 1 1 -33 16 18 o 157.6964 20.06877 825.8320       181.4076 612.7438       233.4408 1150.695       288.2352 124.5469 31.84027 176.4285 28.85296 -51.88163      42.96855 
1 1 1 -33 16 19 o 56.35235 24.72539 23.48257       156.8183 -104.1063      192.8338 272.6438       269.4742 52.67490 24.70747 84.94685 34.53114 -32.27196      42.46008 
1 1 1 -33 16 20 o 49.23277 23.09195 -100.1055      168.4111 -164.4991      209.3968 17.84015       283.3932 51.79782 24.71838 68.59064 31.38394 -16.79282      39.94934 
1 1 1 -33 16 21 o 122.0856 24.64342 533.8478       170.3594 671.1693       215.8539 307.0262       277.4169 133.3130 28.47357 87.04562 35.16262 46.26743       45.24549 
1 1 1 -33 16 22 o 62.63287 26.75799 80.08755       174.0462 -96.94854      222.2407 360.8786       279.8880 56.22446 26.42046 90.79285 35.76453 -34.56839      44.46507 
1 1 1 -33 16 23 o 72.50565 28.08487 183.2451       170.2396 333.7233       216.8574 -58.42457      274.8203 89.28111 32.27215 63.07089 29.55562 26.21022       43.76102 
1 1 1 -33 16 24 o 110.2128 27.79911 469.0503       179.6355 509.8280       231.0018 406.6668       285.7189 108.6268 33.19519 93.48223 36.33590 15.14453       49.21604 
1 1 1 -33 16 25 o 95.68283 28.46289 363.4344       171.4876 468.8495       221.8094 206.7983       270.3798 104.2689 32.64233 77.40173 33.21520 26.86721       46.57006 
1 1 1 -33 16 26 o 142.6743 20.19319 696.9563       164.2501 548.4520       209.5449 933.5857       264.5098 115.4687 30.49556 152.3279 30.67046 -36.85916      43.25108 
1 1 1 -33 17 1  o 70.98913 28.33273 131.3027       177.8353 129.5710       212.1737 135.3920       326.0483 73.75876 30.38638 82.58427 35.95509 -8.825508      47.07548 
1 1 1 -33 17 2  o 119.0031 27.67405 500.1187       189.4804 703.4584       231.2228 84.40203       330.6117 140.7096 28.98448 79.85654 35.43042 60.85302       45.77570 
1 1 1 -33 17 3  o 149.0482 23.36875 741.7320       197.5640 782.9382       241.7854 658.9498       342.7021 148.7807 28.75030 124.4440 40.74326 24.33664       49.86574 
1 1 1 -33 17 4  o 206.5052 15.93566 1328.586       191.5055 1415.119       237.1957 1166.567       324.5633 210.1996 19.46180 178.5528 32.17775 31.64688       37.60545 
1 1 1 -33 17 5  o 88.11186 28.25814 274.7156       165.3520 392.4771       192.3502 -58.68340      323.6483 103.5237 29.97016 71.70367 33.07491 31.81998       44.63362 
1 1 1 -33 17 6  o 89.58325 28.95786 286.8004       173.4116 244.8407       207.6653 383.4655       315.1973 84.63253 31.41817 99.48842 38.30053 -14.85589      49.53819 
1 1 1 -33 17 7  o 123.6398 26.11237 532.5594       183.3987 687.0754       218.5484 164.7055       337.2085 139.5887 27.67408 84.25948 36.62619 55.32926       45.90570 
1 1 1 -33 17 8  o 55.08860 24.44929 -8.463109      157.5591 38.73087       180.1904 -161.7373      324.7303 62.09474 26.88365 66.94006 31.60343 -4.845314      41.49105 
1 1 1 -33 17 9  o 122.8486 25.20600 522.8932       175.5095 660.5430       209.9086 203.0791       319.9567 136.8980 27.10402 85.24099 36.34429 51.65705       45.33801 
1 1 1 -33 17 10 o 123.8259 27.44259 547.3593       194.0495 514.9224       235.4709 616.0117       342.5671 115.1461 33.10661 117.9489 40.74722 -2.802803      52.50128 
1 1 1 -33 17 11 o 105.9740 29.29313 415.8341       188.1357 482.9455       229.0190 276.5520       329.9294 111.4162 32.82907 89.95185 37.54628 21.46439       49.87455 
1 1 1 -33 17 12 o 113.4470 26.76967 460.8387       175.2165 433.3174       207.9213 528.2682       325.4547 106.4283 31.25935 109.7602 39.55383 -3.331902      50.41480 
1 1 1 -33 17 13 o 54.01184 24.63033 -46.63896      172.6471 -247.5674      210.2744 369.0294       302.4400 49.14732 23.78644 95.62997 37.32330 -46.48264      44.25860 
1 1 1 -33 17 14 o 77.25056 28.38683 204.9679       168.7773 85.60210       207.3091 439.6071       290.6556 67.84260 29.09820 101.6639 37.26951 -33.82132      47.28342 
1 1 1 -33 17 15 o 105.6294 25.99496 402.4330       159.9263 556.4973       192.0689 54.15644       288.7808 123.7585 27.20546 72.23899 32.50343 51.51950       42.38644 
1 1 1 -33 17 16 o 142.2777 21.88700 685.3541       176.7868 846.4191       225.8758 430.6854       284.0252 154.5311 25.83447 100.0023 36.81147 54.52882       44.97226 
1 1 1 -33 17 17 o 156.3230 42.43444 1151.249       398.9295 0.000000       0.000000 1151.249       398.9295 ?        ?        156.3230 42.43444 0.000000       42.43444 
1 1 1 -33 17 18 o 64.43443 26.48641 104.7220       160.7397 127.2616       195.7211 58.01894       281.7322 69.41313 28.94169 70.92263 31.99057 -1.509499      43.13952 
1 1 1 -33 17 19 o 91.55962 27.71560 317.7152       161.5483 374.3110       198.0000 205.0179       279.4021 96.78077 30.91029 79.78660 33.98903 16.99417       45.94236 
1 1 1 -33 17 20 o 178.0697 17.19704 1026.043       177.3632 929.8436       222.4061 1194.103       293.9626 162.6105 24.04507 178.0173 29.16564 -15.40683      37.79947 
1 1 1 -33 17 21 o 63.66051 27.00218 90.15883       175.0297 130.1555       226.1445 30.40465       276.4127 70.81812 30.38319 68.00429 31.06993 2.813835       43.45663 
1 1 1 -33 17 22 o 80.21670 29.21577 247.1722       178.1764 210.0707       228.6106 304.5840       284.3810 77.06424 31.62265 85.63388 35.21840 -8.569641      47.33210 
1 1 1 -33 17 23 o 56.12167 25.40143 -5.902719      179.4250 128.8682       247.2139 -155.9206      260.8232 71.35078 31.18169 57.40841 27.44811 13.94237       41.54150 
1 1 1 -33 17 24 o 72.04849 28.61196 178.8909       180.4732 287.1281       239.9193 37.82460       273.8979 83.53674 33.04825 67.37354 30.83707 16.16319       45.20079 
1 1 1 -33 17 25 o 49.05467 23.16052 -104.0236      174.4384 -37.14495      236.1838 -184.2883      258.7430 59.87349 27.83834 55.59223 26.77655 4.281261       38.62586 
1 1 1 -33 18 1  o 49.54842 23.38750 -143.2884      177.6601 22.17880       213.2543 -518.6333      321.1864 64.98207 28.66059 55.26210 27.28838 9.719971       39.57380 
1 1 1 -33 18 2  o 93.25654 29.64972 315.3443       182.3466 470.0767       220.7361 -17.13949      323.5699 111.6715 32.03729 73.53044 33.60279 38.14108       46.42774 
1 1 1 -33 18 3  o 173.2186 19.48800 966.3367       194.5450 1082.483       243.6000 761.8130       323.2562 179.7963 23.67668 135.8175 38.70728 43.97879       45.37442 
1 1 1 -33 18 4  o 96.84135 27.97909 337.1955       167.7978 359.2002       199.4438 283.8844       310.4359 98.34161 30.97635 91.07291 37.04744 7.268700       48.29127 
1 1 1 -33 18 5  o 138.1302 22.78876 638.8629       178.1799 577.6459       213.8816 777.7131       322.1146 126.0385 29.46542 137.1800 38.48350 -11.14156      48.46845 
1 1 1 -33 18 6  o 96.50478 29.18575 340.6310       179.1988 249.6913       217.7938 531.2260       315.3003 84.98498 32.04649 112.0656 39.07097 -27.08058      50.53235 
1 1 1 -33 18 7  o 82.46844 29.41983 236.7366       179.5563 207.7183       212.3214 309.6001       336.4443 80.30464 31.29213 93.01133 38.28534 -12.70669      49.44658 
1 1 1 -33 18 8  o 66.89774 27.07737 110.6250       164.8732 153.9615       189.4906 -24.41436      334.4963 73.41467 29.26449 73.32525 33.75127 0.8942413E-01  44.67167 
1 1 1 -33 18 9  o 76.07681 29.18318 184.0166       182.5424 151.0713       214.0290 271.9339       349.6333 74.72002 30.62206 90.30614 38.22765 -15.58612      48.98024 
1 1 1 -33 18 10 o 76.32526 28.95943 189.8112       178.4959 221.5545       208.1958 101.7495       346.7688 81.00331 31.14248 79.88061 35.80559 1.122704       47.45413 
1 1 1 -33 18 11 o 153.4805 20.47719 776.4897       179.7259 841.9751       213.5612 617.5299       332.7313 156.8699 23.97280 117.1388 40.17004 39.73116       46.77956 
1 1 1 -33 18 12 o 247.5291 14.71833 1908.399       212.7012 1970.777       278.1057 1820.486       330.1573 246.3506 19.40547 229.7954 24.89506 16.55524       31.56479 
1 1 1 -33 18 13 o 78.44519 27.88018 216.4322       161.1116 337.9315       194.0735 -52.94408      288.9743 93.87219 30.65608 66.86584 30.98722 27.00636       43.58903 
1 1 1 -33 18 14 o 55.05380 24.48263 -0.9301909     158.7842 72.80865       189.7935 -172.9267      289.8632 64.84628 27.82795 61.50767 29.27640 3.338604       40.39185 
1 1 1 -33 18 15 o 56.59895 25.00581 13.02615       162.9939 78.34134       202.3023 -107.8181      275.1737 66.25958 28.58547 62.51524 29.38360 3.744339       40.99421 
1 1 1 -33 18 16 o 171.8216 16.78622 946.4644       166.9985 1012.885       207.8306 825.4342       280.5463 174.0162 20.77413 142.6541 34.01375 31.36209       39.85599 
1 1 1 -33 18 17 o 249.0583 14.40192 1941.338       209.4671 2110.993       280.5111 1727.497       314.9298 254.0015 18.96751 222.1300 24.58548 31.87151       31.05177 
1 1 1 -33 18 18 o 157.1931 20.63320 830.3785       185.6296 730.2565       241.3859 975.2844       290.3957 137.0099 30.79246 156.6770 32.66338 -19.66711      44.88955 
1 1 1 -33 18 19 o 101.4420 41.85377 534.7519       403.3377 0.000000       0.000000 534.7519       403.3377 ?        ?        101.4420 41.85377 0.000000       41.85377 
1 1 1 -33 18 20 o 171.1552 18.55445 966.1483       183.2713 948.2081       232.0996 995.8586       298.6860 162.4936 25.16810 155.6560 33.69745 6.837631       42.05891 
1 1 1 -33 18 21 o 199.9166 18.66440 1321.284       216.3043 1291.979       246.1187 1420.737       453.3958 193.4689 22.08636 163.8150 45.54827 29.65398       50.62067 
1 1 1 -33 18 22 o 67.42120 27.36085 137.9782       168.8499 251.6257       212.0609 -58.87566      279.0954 80.45651 31.29510 63.31466 29.70647 17.14185       43.14925 
1 1 1 -33 18 23 o 47.77404 22.67807 -124.5729      171.5978 -251.2055      230.5370 32.75024       256.9592 50.24743 24.45444 65.91365 30.05419 -15.66622      38.74628 
1 1 1 -33 18 24 o 86.83662 29.65533 307.5990       181.2975 560.8271       243.7465 -5.971970      271.2379 112.1704 34.06287 64.53767 29.94729 47.63277       45.35548 
1 1 1 -33 19 1  o 117.5598 25.42583 480.2431       170.1927 457.0628       204.9968 531.6617       305.3145 110.8339 30.55478 112.7554 38.48456 -1.921494      49.13915 
1 1 1 -33 19 2  o 91.40234 29.49108 303.8807       179.9095 377.9198       221.6301 160.8297       308.0659 99.56660 32.77412 81.99238 35.32314 17.57423       48.18576 
1 1 1 -33 19 3  o 154.9390 21.19653 789.9601       187.5645 879.1826       230.5642 615.3782       322.5183 159.9742 25.42466 119.8026 39.54075 40.17152       47.00941 
1 1 1 -33 19 4  f 105.2550 26.19665 392.0033       161.0679 333.7910       187.5243 555.7543       314.5156 95.04166 30.04953 114.1922 39.05805 -19.15055      49.27987 
1 1 1 -33 19 5  o 242.2954 14.34422 1814.822       202.9201 1483.360       246.9030 2504.676       356.1956 213.9701 19.90359 275.2248 22.25708 -61.25468      29.85851 
1 1 1 -33 19 6  o 184.4598 18.60093 1092.721       198.4818 817.6002       243.9867 1631.020       341.2844 150.8403 28.62712 215.1834 27.68381 -64.34306      39.82343 
1 1 1 -33 19 7  o 126.6542 25.55781 561.0847       183.2892 613.0674       212.5337 410.2198       362.0700 129.8568 28.67428 99.60208 40.19368 30.25475       49.37353 
1 1 1 -33 19 8  o 137.6966 23.21074 644.2871       180.7820 632.7408       209.6614 677.7534       356.9444 132.5325 27.85991 121.4065 41.60684 11.12601       50.07299 
1 1 1 -33 19 9  o 55.05024 25.08818 -45.15286      178.7689 47.54806       206.4832 -322.6254      357.2339 65.09592 28.47169 63.45470 30.78018 1.641216       41.92919 
1 1 1 -33 19 10 f 75.34966 27.71849 190.7943       160.9949 174.7020       184.8777 241.2884       327.4884 74.57066 29.15880 86.38344 36.79850 -11.81277      46.95066 
1 1 1 -33 19 11 o 173.2234 18.86261 974.6989       188.5365 939.3838       231.9610 1043.446       323.6391 164.5335 24.80923 161.5132 35.16600 3.020386       43.03656 
1 1 1 -33 19 12 o 86.15350 28.74932 274.7096       170.3801 156.2453       208.6407 511.8522       295.1959 73.77769 30.23480 107.9928 37.79432 -34.21507      48.39994 
1 1 1 -33 19 13 o 162.7394 18.43914 860.8475       172.8908 797.9535       211.6377 987.0268       299.7659 151.0613 24.74447 158.4152 33.32302 -7.353943      41.50558 
1 1 1 -33 19 14 o 53.36036 24.32595 -39.24953      168.2454 -17.68139      205.8066 -82.70327      292.1235 59.68438 27.08984 65.13996 30.50804 -5.455585      40.79951 
1 1 1 -33 19 15 o 85.76751 27.70436 274.4867       158.7415 475.3072       193.8224 -134.6621      276.6563 111.4333 29.28151 61.20729 28.97854 50.22597       41.19663 
1 1 1 -33 19 16 o 45.51044 21.74096 -153.5820      162.8953 -109.2561      201.7578 -236.5794      276.0791 53.61683 25.18832 57.00224 27.50648 -3.385410      37.29689 
1 1 1 -33 19 17 o 101.7166 27.42620 389.5088       167.3155 380.7939       204.1279 407.3510       292.0757 97.16728 31.41871 95.91975 36.88396 1.247536       48.45164 
1 1 1 -33 19 18 o 142.9692 23.30946 714.8536       188.7177 453.6254       251.5449 1051.199       285.4292 101.8097 34.92671 164.8506 30.65067 -63.04089      46.46869 
1 1 1 -33 19 19 o 104.6472 29.39330 431.8649       187.7913 544.5574       249.0815 283.4425       285.8536 111.8074 34.52556 84.59492 35.09946 27.21246       49.23399 
1 1 1 -33 19 20 o 97.61301 32.74652 405.7942       221.0137 522.9012       328.5951 309.0486       298.6654 102.1585 39.16299 86.15556 35.82328 16.00298       53.07587 
1 1 1 -33 19 21 o 81.15332 38.04832 151.5335       456.4199 0.000000       0.000000 151.5335       456.4199 ?        ?        81.15332 38.04832 0.000000       38.04832 
1 1 1 -33 19 22 o 46.41544 22.44005 -197.5989      185.8825 -276.0317      246.8351 -94.84992      282.5185 51.34092 25.05674 61.90057 29.30001 -10.55965      38.55296 
1 1 1 -33 19 23 o 45.06882 21.56104 -143.4142      161.4520 -138.2107      203.4303 -152.2695      265.3811 51.29269 24.44567 57.59410 27.57727 -6.301418      36.85236 
1 1 1 -33 20 1  o 73.29915 28.61214 161.5948       177.7595 86.46096       220.4507 301.2480       300.5517 69.82363 29.97810 91.07652 36.66715 -21.25289      47.36208 
1 1 1 -33 20 2  o 94.19456 28.34040 324.2981       169.2818 283.6019       202.5666 418.5222       308.2281 88.00196 31.26347 100.8373 38.10155 -12.83537      49.28623 
1 1 1 -33 20 3  o 124.3383 26.21676 545.6037       185.1454 645.6080       228.8524 356.1533       314.9880 131.9325 30.22687 95.42823 37.83078 36.50428       48.42347 
1 1 1 -33 20 4  o 100.0585 43.80972 408.7090       490.0120 0.000000       0.000000 408.7090       490.0120 ?        ?        100.0585 43.80972 0.000000       43.80972 
1 1 1 -33 20 5  o 142.4156 21.47170 675.5973       173.7696 525.9380       200.0903 1134.843       350.5071 119.6144 28.85759 168.0302 36.60587 -48.41586      46.61277 
1 1 1 -33 20 6  o 195.4483 17.37582 1216.970       197.0978 1238.329       238.7924 1171.315       349.1194 193.3090 21.42202 171.5418 35.85818 21.76721       41.76975 
1 1 1 -33 20 7  o 100.8647 28.49476 377.1630       175.9583 426.5837       202.0868 222.2559       357.7823 105.5756 30.76471 86.47255 37.65586 19.10305       48.62542 
1 1 1 -33 20 8  o 50.99543 23.85814 -106.3092      177.8608 -46.02574      209.3795 -262.5554      337.0854 58.94429 26.97244 63.26200 30.49388 -4.317719      40.71105 
1 1 1 -33 20 9  o 51.21824 23.91086 -99.30501      177.0746 -149.0511      210.0122 23.03586       329.3448 53.33944 25.25190 73.90126 33.82098 -20.56182      42.20803 
1 1 1 -33 20 10 o 104.0350 27.32682 397.7618       168.8515 345.9188       197.8122 536.9562       324.1299 94.61401 30.95317 108.7435 39.43431 -14.12950      50.13147 
1 1 1 -33 20 11 o 82.29459 29.00917 247.6977       174.1265 215.4309       214.6409 309.8112       297.8021 79.42714 31.30972 89.49161 36.32949 -10.06447      47.95968 
1 1 1 -33 20 12 o 222.3776 14.61041 1547.273       189.4923 1629.361       237.7817 1404.416       313.6829 224.3909 18.22530 196.5180 28.00863 27.87289       33.41623 
1 1 1 -33 20 13 o 57.12077 25.34396 10.83523       169.1807 98.05636       203.9176 -181.7876      303.0385 67.81199 28.96678 62.01650 29.63356 5.795486       41.43938 
1 1 1 -33 20 14 o 48.23586 22.43674 -80.54527      153.6697 61.26099       180.7744 -449.9507      291.7702 62.45706 26.98370 52.19619 25.81735 10.26086       37.34509 
1 1 1 -33 20 15 o 50.06591 23.33073 -84.77488      167.3664 -81.64386      204.9957 -91.03424      289.8458 55.49693 25.84786 64.13251 30.14784 -8.635582      39.71151 
1 1 1 -33 20 16 o 126.9474 23.10712 562.5969       165.7004 395.5668       202.3239 902.8523       288.7702 99.06230 31.19866 148.6883 33.87377 -49.62596      46.05202 
1 1 1 -33 20 17 o 89.08428 29.16959 309.9187       175.6550 333.7881       219.1912 267.0753       293.6598 90.14509 32.46366 83.92843 35.25355 6.216660       47.92392 
1 1 1 -33 20 18 o 66.54803 26.98971 129.1670       164.1822 188.5498       203.1645 17.38577       278.7417 74.56757 30.10217 67.42408 30.95252 7.143486       43.17637 
1 1 1 -33 20 19 o 147.6204 23.00068 764.1183       192.6442 923.9888       258.3145 563.7752       289.1690 154.8276 29.52513 109.0455 37.44645 45.78208       47.68616 
1 1 1 -33 20 20 o 91.47425 31.79150 349.4943       208.6696 342.5331       295.1222 356.4537       295.0846 88.40668 36.06236 89.49653 36.22459 -1.089844      51.11472 
1 1 1 -33 20 21 o 97.23783 33.39895 414.1446       230.0398 766.8028       343.2029 126.4604       309.9789 121.5723 40.80691 74.33450 33.54034 47.23776       52.82195 
1 1 1 -33 20 22 o 80.69553 30.72793 260.7361       201.4078 402.3342       285.8542 121.1423       283.8240 92.18105 36.19451 72.16791 32.36740 20.01314       48.55606 
1 1 1 -33 21 1  o 69.99109 28.42385 129.7627       182.3749 327.4420       227.5314 -225.4475      305.0027 92.42910 33.10131 61.70121 29.54932 30.72789       44.37183 
1 1 1 -33 21 2  o 65.81999 27.75784 85.39872       183.2134 274.6057       227.5018 -263.7581      309.0485 86.71483 32.74097 60.70224 29.24444 26.01259       43.89999 
1 1 1 -33 21 3  o 150.2361 22.94749 764.5863       195.7870 973.0846       243.8391 386.2527       328.4653 167.0476 25.71274 97.06881 38.58308 69.97881       46.36592 
1 1 1 -33 21 4  o 146.6917 22.95258 730.1627       190.9951 819.0848       234.9060 556.7133       328.0769 151.2860 27.48771 111.4449 39.76630 39.84116       48.34183 
1 1 1 -33 21 5  o 216.3076 15.52214 1468.205       195.6037 1408.794       235.1543 1601.631       352.4009 208.0155 19.50300 209.4999 29.49716 -1.484436      35.36169 
1 1 1 -33 21 6  o 91.65469 28.83251 313.3181       172.8463 343.7122       202.8862 232.8672       330.0838 94.38316 31.36899 85.65079 36.72635 8.732368       48.29946 
1 1 1 -33 21 7  o 97.76613 27.49713 352.4973       164.2294 279.6405       187.2281 595.6033       342.0063 86.56602 30.11223 113.1290 40.57465 -26.56302      50.52770 
1 1 1 -33 21 8  o 132.0496 25.18286 614.6859       187.9107 466.1330       228.3115 926.6237       330.8425 107.5838 33.02500 147.2119 38.04669 -39.62810      50.38056 
1 1 1 -33 21 9  o 100.9380 28.35571 382.6424       174.7534 571.2870       206.6843 -90.35688      327.2772 123.4796 29.03228 68.13536 32.03137 55.34427       43.23057 
1 1 1 -33 21 10 o 152.6690 21.55219 785.7873       187.6098 766.7031       232.0368 821.8163       318.8209 144.1681 28.45400 136.9553 38.23772 7.212784       47.66291 
1 1 1 -33 21 11 o 51.45482 23.58602 -51.27792      161.0300 -137.4208      189.6368 171.3959       304.8932 50.66491 23.98868 79.52216 34.69313 -28.85724      42.17902 
1 1 1 -33 21 12 o 55.46138 25.03416 -17.35264      172.8792 -1.169060      208.4902 -52.96745      309.2884 60.93755 27.50024 67.77096 31.62597 -6.833405      41.91020 
1 1 1 -33 21 13 o 79.60426 28.20078 231.6579       164.7209 187.3988       196.0441 337.9275       303.7787 75.22516 29.83769 90.55056 36.71683 -15.32540      47.31187 
1 1 1 -33 21 14 o 44.50091 21.41519 -178.4197      164.6362 -121.1196      201.1472 -294.7138      286.5599 52.82266 24.91853 55.99901 27.25604 -3.176346      36.93000 
1 1 1 -33 21 15 o 103.7582 26.80082 402.5652       164.2296 408.1535       207.3933 393.1687       268.9274 100.0505 31.59732 94.86017 35.64476 5.190285       47.63339 
1 1 1 -33 21 16 f 60.38168 26.02199 60.80051       167.2995 62.56371       215.0212 58.09562       266.3203 65.13028 28.75026 68.94284 31.09989 -3.812561      42.35305 
1 1 1 -33 21 17 o 143.3311 21.55943 705.7085       175.6214 704.5837       219.2431 707.7226       293.3784 136.2318 28.36400 124.3336 37.28663 11.89815       46.84879 
1 1 1 -33 21 18 o 82.72369 29.13845 266.1288       175.6573 617.7881       229.8411 -227.7221      272.3733 123.1006 31.65866 56.09966 27.13208 67.00096       41.69437 
1 1 1 -33 21 19 o 89.98512 28.42163 317.9603       167.7959 530.5670       210.7021 -50.64001      277.4331 114.4638 30.74005 63.65456 29.78605 50.80921       42.80373 
1 1 1 -33 21 20 o 133.2442 22.89740 627.4558       172.4840 630.7640       217.1536 621.8011       283.9091 126.0687 29.83732 114.6031 37.05303 11.46558       47.57302 
1 1 1 -33 22 1  o 82.25508 28.75510 244.1729       170.8496 269.7509       202.4931 180.9750       318.2939 85.45765 31.14247 81.87336 35.58662 3.584290       47.28911 
1 1 1 -33 22 2  o 47.98277 22.80035 -149.6828      174.3273 -190.9056      211.9256 -63.41878      306.5697 51.62390 24.69848 67.98426 31.64556 -16.36036      40.14295 
1 1 1 -33 22 3  o 155.6944 21.69620 813.7139       192.7365 1003.872       240.1318 469.4029       323.1233 170.0123 24.81467 102.9452 38.98571 67.06708       46.21313 
1 1 1 -33 22 4  o 203.2317 16.83684 1315.164       198.8799 1377.646       247.4806 1201.241       334.1706 203.6808 21.01920 175.2359 33.73995 28.44495       39.75161 
1 1 1 -33 22 5  o 132.6083 24.80362 616.7196       185.8123 890.9791       224.4290 19.00362       331.3185 159.9713 24.71724 73.47451 33.73584 86.49680       41.82164 
1 1 1 -33 22 6  o 141.7862 23.10307 689.5499       185.5031 722.6754       228.2962 625.1773       318.2499 139.7949 28.80430 117.1166 39.29528 22.67824       48.72173 
1 1 1 -33 22 7  o 144.4079 21.53885 702.8033       176.8464 771.5907       209.3140 531.2172       330.5865 148.2939 24.95218 107.1819 39.66820 41.11201       46.86339 
1 1 1 -33 22 8  o 73.69526 28.95317 174.0704       183.0085 276.4781       222.5488 -39.81569      321.6254 85.54576 32.36399 69.68701 32.42979 15.85875       45.81614 
1 1 1 -33 22 9  o 55.45573 24.78926 -4.158757      164.9889 149.4510       191.7203 -442.6821      323.9327 71.57050 29.11421 55.94761 27.58494 15.62288       40.10694 
1 1 1 -33 22 10 o 76.77850 29.28276 204.4338       183.0922 361.3595       219.2164 -157.5385      332.9383 94.62115 32.59984 65.56234 31.25401 29.05881       45.16151 
1 1 1 -33 22 11 o 71.95680 27.94697 168.1053       168.9157 136.4020       197.8650 253.2974       324.3523 70.47759 29.21848 84.95882 36.41741 -14.48122      46.68991 
1 1 1 -33 22 12 o 93.31001 29.50457 338.8417       180.7807 319.1258       221.2173 378.4806       313.6695 89.17763 32.54246 93.26048 37.48936 -4.082855      49.64337 
1 1 1 -33 22 13 o 71.74470 27.78050 170.8636       166.5264 162.6232       200.6228 189.1177       298.5983 72.58918 29.68645 79.20800 34.44764 -6.618820      45.47444 
1 1 1 -33 22 14 o 99.07175 36.87287 448.8248       286.3792 0.000000       0.000000 448.8248       286.3792 ?        ?        99.07175 36.87287 0.000000       36.87287 
1 1 1 -33 22 15 o 72.92377 27.96405 183.9520       167.5704 313.5441       217.4215 -5.651904      262.9885 87.70124 32.22030 65.09478 29.94979 22.60646       43.99020 
1 1 1 -33 22 16 o 98.30094 27.90952 373.1264       168.3776 381.0856       215.0129 360.5058       270.7512 95.33002 32.29942 90.84824 35.35468 4.481781       47.88743 
1 1 1 -33 22 17 o 103.0230 28.48041 414.0077       177.8308 593.6459       235.3135 174.8008       271.5403 119.2413 32.68242 76.09892 32.97418 43.14241       46.42669 
1 1 1 -33 22 18 o 72.36375 27.31681 185.2996       158.3474 19.48018       202.4864 446.3523       254.0635 60.49080 27.21731 99.38077 35.04005 -38.88997      44.36876 
1 1 1 -33 22 19 o 65.16988 26.84321 120.6360       165.5388 205.4574       205.7451 -35.07019      278.7594 75.42351 30.34735 64.05730 29.93621 11.36621       42.62790 
1 1 1 -33 23 1  o 95.10535 29.33037 342.8044       179.8295 628.2465       216.5402 -291.5700      322.8141 129.8708 29.14734 60.60854 29.36654 69.26231       41.37585 
1 1 1 -33 23 2  o 130.4869 24.46578 595.1591       180.3537 781.1858       222.0791 234.8034       309.0906 147.8418 26.59051 84.49426 35.86268 63.34754       44.64513 
1 1 1 -33 23 3  o 146.4202 21.59145 721.8713       179.8523 762.5068       222.6402 645.5477       305.1266 145.4464 27.09733 120.4822 38.35966 24.96420       46.96518 
1 1 1 -33 23 4  o 190.0668 17.58619 1161.672       193.8103 1360.013       243.4766 818.6381       320.1989 202.3019 20.81823 136.8376 38.36225 65.46428       43.64700 
1 1 1 -33 23 5  o 212.4399 16.54727 1436.265       204.5390 1658.196       258.2004 1062.351       335.1459 224.6305 19.80169 160.0043 36.52211 64.62622       41.54482 
1 1 1 -33 23 6  o 117.9339 26.90612 508.0459       181.9709 337.4742       218.6835 892.0413       328.1147 92.18106 32.50822 142.9367 38.34881 -50.75563      50.27341 
1 1 1 -33 23 7  o 118.5076 27.87658 521.4323       190.4835 586.7476       228.9645 374.6057       343.2916 121.9697 31.71614 93.84554 38.65540 28.12420       50.00154 
1 1 1 -33 23 8  o 54.82190 25.38668 -69.58822      193.4119 92.20758       233.2468 -425.7025      346.0403 69.62972 30.36140 58.36943 28.72707 11.26030       41.79784 
1 1 1 -33 23 9  o 76.49807 29.02138 205.1693       179.2469 231.0009       212.1913 140.8100       334.9322 80.09293 31.26163 78.60617 35.21519 1.486763       47.08927 
1 1 1 -33 23 10 o 109.1942 40.15134 583.0398       337.7506 0.000000       0.000000 583.0398       337.7506 ?        ?        109.1942 40.15134 0.000000       40.15134 
1 1 1 -33 23 11 o 62.85932 26.75621 79.35843       172.8951 289.0300       203.4999 -464.7337      327.8164 85.82952 31.22852 55.20679 27.31716 30.62273       41.49033 
1 1 1 -33 23 12 o 44.29535 21.43795 -201.4995      170.7918 -146.4617      205.7450 -323.4832      306.3018 51.96697 24.71534 56.81801 27.76919 -4.851040      37.17494 
1 1 1 -33 23 13 o 58.40927 25.99964 19.25400       179.5078 20.74482       227.1845 16.77646       292.8707 63.49442 28.67551 68.71282 31.61119 -5.218399      42.67965 
1 1 1 -33 23 14 o 58.48013 25.62132 38.70405       167.8355 -244.1402      207.7201 570.6105       284.8541 47.89861 23.28890 110.7903 37.17646 -62.89172      43.86869 
1 1 1 -33 23 15 o 79.81828 29.04720 241.7423       176.0761 208.2726       231.4155 287.7574       271.3416 77.29355 31.77713 84.64854 34.56015 -7.354988      46.94880 
1 1 1 -33 23 16 o 73.43262 29.37949 183.8210       191.6900 332.3177       271.0282 35.18774       271.1529 88.04031 35.03032 67.54816 30.82770 20.49215       46.66337 
1 1 1 -33 23 17 o 69.07462 28.23190 148.0679       181.3079 109.7488       242.0047 197.0933       273.7330 69.66866 30.63689 77.15723 33.26885 -7.488564      45.22649 
1 1 1 -33 24 1  o 50.29788 23.59059 -106.3315      175.7330 -140.8571      211.4587 -29.25141      315.9554 53.56057 25.35129 69.61122 32.30851 -16.05066      41.06736 
1 1 1 -33 24 2  o 51.09203 23.76630 -83.90978      172.4507 -25.46705      209.2394 -207.6853      304.5058 59.59163 27.15180 61.26907 29.39078 -1.677437      40.01297 
1 1 1 -33 24 3  o 80.10976 28.92117 233.4739       174.0938 68.49169       209.0768 606.5135       314.3870 65.95146 28.75162 114.5036 39.05280 -48.55216      48.49512 
1 1 1 -33 24 4  o 76.47298 28.75172 204.1391       175.0263 98.61358       209.3147 449.4413       319.1328 68.23138 29.25128 99.65163 38.49246 -31.42025      48.34570 
1 1 1 -33 24 5  o 56.37355 25.38968 -10.84117      176.6962 44.23732       208.1387 -152.9578      334.3368 63.91969 28.24798 65.69298 31.31721 -1.773289      42.17482 
1 1 1 -33 24 6  o 56.15572 25.43471 -19.60324      180.2738 -62.99854      211.4556 95.85391       344.9120 57.37221 26.55956 76.81540 34.94538 -19.44319      43.89294 
1 1 1 -33 24 7  o 73.20163 29.83025 165.8715       201.6902 151.8212       236.9254 202.8540       384.3849 73.96220 31.39560 83.49199 37.53882 -9.529785      48.93717 
1 1 1 -33 24 8  o 79.95737 35.95596 160.5061       352.8272 0.000000       0.000000 160.5061       352.8272 ?        ?        79.95737 35.95596 0.000000       35.95596 
1 1 1 -33 24 9  o 165.3832 36.11390 1153.819       340.4418 0.000000       0.000000 1153.819       340.4418 ?        ?        165.3832 36.11390 0.000000       36.11390 
1 1 1 -33 24 10 o 49.38576 23.56171 -155.6978      190.0222 -63.68757      239.5712 -311.7795      312.0272 60.12377 27.98261 57.78250 28.19428 2.341274       39.72335 
1 1 1 -33 24 11 o 148.7143 22.89822 769.4476       193.3136 516.5283       240.1329 1235.190       325.8622 109.9616 33.88991 175.6956 32.83130 -65.73400      47.18496 
1 1 1 -33 24 12 o 58.14214 25.76567 24.26501       174.3303 128.3281       215.5452 -172.5521      296.4295 70.10870 29.85938 60.77338 29.11194 9.335320       41.70237 
1 1 1 -33 24 13 f 52.23630 24.36598 -80.17421      183.2661 64.88557       231.1566 -325.6559      300.7061 66.51517 29.56200 55.96928 27.38834 10.54588       40.29929 
1 1 1 -33 24 14 o 113.4721 27.97851 493.5131       184.9995 484.6361       237.6093 507.1780       294.8028 105.6107 33.87473 103.0778 37.57434 2.532837       50.58981 
1 1 1 -33 24 15 o 98.15868 28.20858 377.3132       170.9902 449.9330       209.0417 230.4863       297.2408 103.8780 31.54489 80.26382 34.63853 23.61422       46.84984 
1 1 1 -33 25 1  o 66.63802 28.14533 101.3651       188.8265 49.19987       233.0522 201.0534       322.1698 66.57728 29.63069 81.61879 35.63415 -15.04151      46.34404 
1 1 1 -33 25 2  o 77.83441 29.47425 215.4577       184.6826 174.4298       224.1634 302.1513       325.8504 75.30636 31.14890 88.07351 37.07348 -12.76715      48.42207 
1 1 1 -33 25 3  o 138.7399 24.67023 681.1772       193.3795 802.2549       236.8155 438.8677       335.0143 146.6811 28.55625 97.78031 38.93315 48.90081       48.28301 
1 1 1 -33 25 4  o 131.3152 25.96565 623.4356       192.8816 680.7783       231.6184 493.7002       348.3880 132.6360 30.42398 101.4265 39.91750 31.20949       50.18989 
1 1 1 -33 25 5  o 177.3420 19.34030 1039.342       197.8965 1053.414       240.1132 1009.539       349.4384 173.2269 24.30221 149.4499 39.33843 23.77701       46.23970 
1 1 1 -33 25 6  o 84.05343 30.28089 271.5233       190.7269 207.4560       231.1863 408.0497       337.4834 78.07215 31.89092 94.84053 38.60992 -16.76838      50.07751 
1 1 1 -33 25 7  o 111.2991 31.33758 498.4666       213.1867 441.9882       257.8531 620.4677       378.9772 100.4156 35.30917 108.8952 41.97743 -8.479568      54.85291 
1 1 1 -33 25 8  o 114.1302 43.09446 705.9811       394.1465 0.000000       0.000000 705.9811       394.1465 ?        ?        114.1302 43.09446 0.000000       43.09446 
1 1 1 -33 25 9  o 60.89993 27.18314 24.66286       197.6294 151.8369       239.1611 -249.1467      350.9262 73.55718 31.39416 63.08879 30.58019 10.46839       43.82626 
1 1 1 -33 25 10 o 79.70486 30.14147 237.9954       192.9848 212.1472       247.0452 278.4639       309.1140 78.47914 32.60182 84.86259 35.93480 -6.383446      48.51998 
1 1 1 -33 25 11 f 98.31926 29.60290 383.8383       184.6510 353.5478       233.1444 434.8140       302.4497 91.46519 33.40342 96.62473 37.43233 -5.159546      50.16939 
1 1 1 -33 25 12 o 62.50623 29.92882 -155.8489      312.5417 0.000000       0.000000 -155.8489      312.5417 ?        ?        62.50623 29.92882 0.000000       29.92882 
1 1 1 -33 25 13 o 82.00317 35.61155 249.6734       318.1569 0.000000       0.000000 249.6734       318.1569 ?        ?        82.00317 35.61155 0.000000       35.61155 
1 1 1 -33 26 1  o 96.81308 31.62002 377.9937       206.4674 633.2137       269.5987 15.99605       321.0800 121.2839 35.58754 71.40883 32.94053 49.87507       48.49280 
1 1 1 -33 26 2  o 61.58537 27.26453 34.11311       194.7299 185.7402       253.0634 -185.9998      304.9045 77.35092 32.62189 61.61112 29.51642 15.73980       43.99326 
1 1 1 -33 26 3  o 167.0478 20.87768 939.9045       200.0842 878.1485       257.0427 1034.858       318.7282 151.6905 29.95659 157.7329 35.33358 -6.042404      46.32342 
1 1 1 -33 26 4  o 113.4502 28.08188 487.1025       185.8330 541.2196       224.3280 368.7380       331.7623 115.5742 32.00229 92.02431 37.96260 23.54985       49.65185 
1 1 1 -33 26 5  o 135.5954 25.02404 657.9991       191.6704 416.1312       235.9546 1127.220       328.6456 98.95906 33.83059 164.9574 35.05279 -65.99832      48.71558 
1 1 1 -33 26 6  o 78.86697 29.45648 229.5800       183.0792 169.2289       216.8101 379.5465       341.7701 73.87760 30.60282 92.30509 38.34579 -18.42749      49.06049 
1 1 1 -33 26 7  o 204.5994 16.82753 1349.276       200.1350 1471.292       233.9279 1016.094       386.5592 211.0047 19.11037 141.8126 42.86106 69.19211       46.92842 
1 1 1 -33 26 8  o 153.8451 23.24044 828.4975       203.1590 747.0681       237.6763 1049.369       391.4400 138.5023 30.12016 143.4697 43.07982 -4.967331      52.56515 
1 1 1 -33 26 9  o 56.28252 25.77360 -29.97590      191.6534 -86.38856      227.3203 108.6862       356.3928 57.27272 26.85193 76.40421 35.04700 -19.13149      44.15108 
1 1 1 -33 26 10 o 59.23619 26.57211 16.94918       191.3779 227.2287       240.1582 -348.9142      316.7805 78.85509 32.39038 56.59798 27.78130 22.25711       42.67244 
1 1 1 -32 0  1  o 92.15125 54.35302 390.5753       501.8537 390.5753       501.8537 390.5753       501.8537 92.15125 54.35302 92.15125 54.35302 -0.000000      0.000000 
1 1 1 -32 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  3  o 193.8671 49.67527 1403.310       488.1666 1403.310       488.1666 1403.310       488.1666 193.8671 49.67527 193.8671 49.67527 -0.000000      0.000000 
1 1 1 -32 0  4  o 223.9329 38.23026 1688.073       458.1835 1688.073       458.1835 1688.073       458.1835 223.9329 38.23026 223.9329 38.23026 -0.000000      0.000000 
1 1 1 -32 0  5  o 96.05016 53.55268 458.6925       448.6695 458.6925       448.6695 458.6925       448.6695 96.05016 53.55268 96.05016 53.55268 -0.000000      0.000000 
1 1 1 -32 0  6  o 72.07879 46.41227 95.13072       451.9059 95.13072       451.9059 95.13072       451.9059 72.07879 46.41227 72.07879 46.41227 0.000000       0.000000 
1 1 1 -32 0  7  o 95.74091 52.96133 460.9615       434.7952 460.9615       434.7952 460.9615       434.7952 95.74091 52.96133 95.74091 52.96133 0.000000       0.000000 
1 1 1 -32 0  8  o 73.39688 45.96401 168.3122       408.5772 168.3122       408.5772 168.3122       408.5772 73.39688 45.96401 73.39688 45.96401 -0.000000      0.000000 
1 1 1 -32 0  9  o 70.82811 43.02798 190.7494       333.0717 190.7494       333.0717 190.7494       333.0717 70.82811 43.02798 70.82811 43.02798 -0.000000      0.000000 
1 1 1 -32 0  10 f 113.8131 46.64185 583.3614       307.0356 583.3614       307.0356 583.3614       307.0356 113.8131 46.64185 113.8131 46.64185 -0.000000      0.000000 
1 1 1 -32 0  11 o 46.67270 32.12106 -165.8653      289.0990 -165.8653      289.0990 -165.8653      289.0990 46.67270 32.12106 46.67270 32.12106 0.000000       0.000000 
1 1 1 -32 0  12 o 61.42776 37.84503 126.0005       265.9221 126.0005       265.9221 126.0005       265.9221 61.42776 37.84503 61.42776 37.84503 -0.000000      0.000000 
1 1 1 -32 0  13 f 310.0847 18.55085 2921.918       334.5693 2921.918       334.5693 2921.918       334.5693 310.0847 18.55085 310.0847 18.55085 0.000000       0.000000 
1 1 1 -32 0  14 o 178.8203 30.04964 1069.875       288.4209 1069.875       288.4209 1069.875       288.4209 178.8203 30.04964 178.8203 30.04964 -0.000000      0.000000 
1 1 1 -32 0  15 o 107.8790 44.24809 531.5237       276.2659 531.5237       276.2659 531.5237       276.2659 107.8790 44.24809 107.8790 44.24809 -0.000000      0.000000 
1 1 1 -32 0  16 o 246.8463 20.84361 1890.076       296.6147 1890.076       296.6147 1890.076       296.6147 246.8463 20.84361 246.8463 20.84361 0.000000       0.000000 
1 1 1 -32 0  17 o 141.8176 36.08345 745.1089       259.4493 745.1089       259.4493 745.1089       259.4493 141.8176 36.08345 141.8176 36.08345 -0.000000      0.000000 
1 1 1 -32 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 0  19 o 142.0494 36.77039 757.4553       264.7049 757.4553       264.7049 757.4553       264.7049 142.0494 36.77039 142.0494 36.77039 0.000000       0.000000 
1 1 1 -32 0  20 o 157.4861 30.58880 860.9985       251.9193 860.9985       251.9193 860.9985       251.9193 157.4861 30.58880 157.4861 30.58880 0.000000       0.000000 
1 1 1 -32 0  21 o 62.19197 36.50804 178.1824       224.5584 178.1824       224.5584 178.1824       224.5584 62.19197 36.50804 62.19197 36.50804 -0.000000      0.000000 
1 1 1 -32 0  22 o 86.56902 39.41646 366.9640       216.8843 366.9640       216.8843 366.9640       216.8843 86.56902 39.41646 86.56902 39.41646 -0.000000      0.000000 
1 1 1 -32 0  23 o 217.4912 19.85827 1487.263       248.1912 1487.263       248.1912 1487.263       248.1912 217.4912 19.85827 217.4912 19.85827 -0.000000      0.000000 
1 1 1 -32 0  24 o 45.11920 29.85138 -4.520809      206.1691 -4.520809      206.1691 -4.520809      206.1691 45.11920 29.85138 45.11920 29.85138 0.000000       0.000000 
1 1 1 -32 0  25 o 60.92819 35.99014 178.1401       220.6134 178.1401       220.6134 178.1401       220.6134 60.92819 35.99014 60.92819 35.99014 0.000000       0.000000 
1 1 1 -32 0  26 o 125.4038 34.59534 614.2963       220.0152 614.2963       220.0152 614.2963       220.0152 125.4038 34.59534 125.4038 34.59534 -0.000000      0.000000 
1 1 1 -32 0  27 o 65.61580 36.90610 228.0882       215.4134 228.0882       215.4134 228.0882       215.4134 65.61580 36.90610 65.61580 36.90610 0.000000       0.000000 
1 1 1 -32 0  28 o 38.59263 26.88840 -141.8411      218.9428 -141.8411      218.9428 -141.8411      218.9428 38.59263 26.88840 38.59263 26.88840 -0.000000      0.000000 
1 1 1 -32 0  29 o 231.8164 18.91602 1698.378       253.1033 1698.378       253.1033 1698.378       253.1033 231.8164 18.91602 231.8164 18.91602 0.000000       0.000000 
1 1 1 -32 0  30 o 39.12841 27.08766 -110.9464      213.0819 -110.9464      213.0819 -110.9464      213.0819 39.12841 27.08766 39.12841 27.08766 -0.000000      0.000000 
1 1 1 -32 0  31 o 128.0397 35.00362 656.8668       227.2145 656.8668       227.2145 656.8668       227.2145 128.0397 35.00362 128.0397 35.00362 -0.000000      0.000000 
1 1 1 -32 0  32 o 191.1213 21.88217 1202.716       236.9541 1202.716       236.9541 1202.716       236.9541 191.1213 21.88217 191.1213 21.88217 0.000000       0.000000 
1 1 1 -32 0  33 o 43.06513 29.06554 -25.55349      213.3680 -25.55349      213.3680 -25.55349      213.3680 43.06513 29.06554 43.06513 29.06554 0.000000       0.000000 
1 1 1 -32 1  1  o 67.86413 32.25114 -337.3549      348.9909 -432.9381      488.7071 -237.8887      498.5349 79.66073 37.94428 87.01703 40.45415 -7.356300      55.46446 
1 1 1 -32 1  2  o 66.12098 31.40871 -321.7850      330.2648 -541.6202      454.8520 -76.64500      480.3177 73.10928 35.28574 91.68761 41.52369 -18.57834      54.49129 
1 1 1 -32 1  3  o 105.7935 39.72536 339.5449       333.9003 601.0834       443.3151 -3.342693      507.5988 130.1385 46.24804 96.92754 43.39297 33.21097       63.41791 
1 1 1 -32 1  4  o 254.8658 22.46879 2020.122       332.4118 1971.598       466.0208 2070.383       474.2910 243.6785 33.49422 250.0546 33.15790 -6.376190      47.13076 
1 1 1 -32 1  5  o 190.2047 30.53880 1188.185       329.1354 1161.790       454.0880 1217.402       477.7483 178.3837 43.74445 181.6151 45.06805 -3.231369      62.80690 
1 1 1 -32 1  6  o 163.5389 34.49296 911.8647       320.4000 970.9708       432.0934 839.6731       477.5347 161.9131 44.25066 148.2883 48.06379 13.62483       65.33183 
1 1 1 -32 1  7  o 233.5976 24.04435 1720.756       324.7070 1959.010       447.2988 1455.332       472.1156 243.0332 32.17149 201.6401 41.31290 41.39313       52.36182 
1 1 1 -32 1  8  o 231.7957 20.21192 1663.040       272.0211 1721.596       431.2443 1624.346       350.5607 226.1054 33.53568 224.4504 27.18465 1.655045       43.16998 
1 1 1 -32 1  9  o 212.7424 21.89256 1418.444       269.2553 1564.867       442.2399 1332.193       339.4161 212.0245 36.90474 200.9290 29.69661 11.09546       47.36927 
1 1 1 -32 1  10 o 71.20386 30.05951 60.83785       215.2180 126.7266       294.5152 -14.66569      315.2723 84.54900 35.39564 77.52693 34.48610 7.022064       49.41804 
1 1 1 -32 1  11 o 145.4155 25.86743 691.2327       212.5190 466.2017       286.4584 966.7068       316.9427 114.5840 37.23262 167.2879 33.47417 -52.70393      50.06783 
1 1 1 -32 1  12 o 179.1718 20.14082 1006.341       207.9789 1052.603       286.1534 954.5375       302.8057 177.9891 28.36405 166.6360 32.14934 11.35310       42.87306 
1 1 1 -32 1  13 o 114.7577 29.05408 450.7097       195.6996 463.1779       269.7792 436.8618       284.3145 113.4005 36.06532 110.3469 37.14212 3.053581       51.77108 
1 1 1 -32 1  14 o 174.2134 19.78990 955.0675       198.6186 1205.235       277.6665 692.9396       284.2264 192.0729 25.26118 138.3582 35.00601 53.71469       43.16883 
1 1 1 -32 1  15 o 70.98462 28.75100 108.1608       186.0274 169.0038       246.7317 28.01171       283.1840 82.11774 33.16491 75.08166 33.07457 7.036087       46.83843 
1 1 1 -32 1  16 o 326.0331 12.28236 3203.281       234.4319 3070.745       329.7454 3338.737       333.3577 314.4465 17.95521 328.5040 17.36459 -14.05756      24.97836 
1 1 1 -32 1  17 o 269.5937 13.39060 2206.061       211.0566 2190.935       295.3977 2221.835       301.6591 264.0108 19.20951 265.6034 19.50162 -1.592590      27.37368 
1 1 1 -32 1  18 o 215.4960 15.59495 1431.258       195.7607 1370.134       265.3613 1504.243       289.9672 205.7093 22.35451 214.6694 23.41075 -8.960098      32.36954 
1 1 1 -32 1  19 o 190.5928 17.20026 1135.111       190.1946 1048.946       265.9511 1225.311       272.1060 176.0385 26.58778 192.0971 24.72554 -16.05858      36.30788 
1 1 1 -32 1  20 o 195.7434 17.34200 1201.815       197.0263 1106.852       292.8065 1280.388       266.3442 178.0228 29.04552 196.9346 23.52537 -18.91190      37.37761 
1 1 1 -32 1  21 o 57.82440 25.11353 19.31431       158.2523 112.3238       224.8888 -71.91962      222.7319 73.31821 30.82701 60.31210 27.68056 13.00610       41.43089 
1 1 1 -32 1  22 o 97.89252 26.50921 339.7058       155.9103 395.9589       228.5910 290.7754       213.1943 101.6063 33.27624 89.55730 32.04511 12.04903       46.19737 
1 1 1 -32 1  23 o 43.66750 20.94210 -173.6686      154.3870 -223.7028      212.7301 -117.9893      224.4101 50.78622 24.41499 57.36322 26.82481 -6.577007      36.27205 
1 1 1 -32 1  24 o 302.0740 11.55983 2772.570       204.4152 2805.254       286.4668 2738.662       291.7799 298.6198 16.42025 294.3664 16.97313 4.253479       23.61593 
1 1 1 -32 1  25 o 56.77448 24.58965 29.95170       150.8669 -357.4933      209.7672 445.1100       217.1398 44.99962 22.18912 106.4837 32.11068 -61.48405      39.03143 
1 1 1 -32 1  26 o 66.23545 26.53529 120.4765       156.5859 325.3742       218.1811 -97.16140      224.8618 91.10707 32.43781 57.61343 26.91232 33.49364       42.14836 
1 1 1 -32 1  27 o 49.36551 22.81206 -66.72839      154.9669 18.54570       214.8844 -159.1375      223.6936 62.87805 28.18506 54.13445 25.75320 8.743607       38.17885 
1 1 1 -32 1  28 o 101.0310 26.67095 380.6039       160.3251 292.7861       225.0050 471.1736       228.5033 86.05172 32.54509 106.2330 33.11226 -20.18129      46.42849 
1 1 1 -32 1  29 o 136.3358 20.86071 632.0394       161.5016 378.1262       226.1577 896.2675       230.7057 94.69726 33.08512 157.2686 25.91484 -62.57134      42.02623 
1 1 1 -32 1  30 o 155.4886 18.20340 797.1702       162.8590 873.9382       228.5340 717.9581       232.1433 154.4969 26.15429 135.3470 30.03070 19.14990       39.82323 
1 1 1 -32 1  31 o 140.7580 20.24075 675.0923       162.2913 882.7153       227.8545 461.3066       231.2115 154.6646 26.04417 102.3676 33.46287 52.29694       42.40356 
1 1 1 -32 1  32 f 116.0681 23.90518 489.1609       157.3049 527.0042       221.4088 450.5885       223.5318 111.1495 32.14737 101.3031 32.88785 9.846405       45.98983 
1 1 1 -32 1  33 o 208.4058 13.71097 1371.141       166.6516 1489.464       232.0087 1245.018       239.5332 210.5988 18.98815 188.3805 22.10078 22.21826       29.13751 
1 1 1 -32 2  1  o 58.01568 28.33367 -511.3111      317.1759 -304.3211      414.0005 -805.4429      493.5114 76.37560 35.94291 70.33533 34.55472 6.040260       49.85901 
1 1 1 -32 2  2  o 61.12856 29.67651 -479.6202      333.8953 -570.9518      450.1469 -367.9073      497.8464 71.75180 34.74483 82.45270 38.98840 -10.70090      52.22355 
1 1 1 -32 2  3  o 317.3472 20.13786 3091.076       372.8658 3268.604       509.6989 2886.698       546.8869 320.4474 27.38321 296.9521 31.90191 23.49527       42.04250 
1 1 1 -32 2  4  o 101.9198 39.44264 294.6731       335.5473 -322.8669      445.9509 1100.536       509.4307 78.83585 37.16336 169.5910 48.67517 -90.75510      61.24041 
1 1 1 -32 2  5  o 124.9494 38.98232 547.3819       316.6230 458.6163       423.8512 659.4573       476.2624 118.1279 44.66986 134.1280 47.90685 -16.00012      65.50163 
1 1 1 -32 2  6  o 119.6682 37.89899 497.7247       298.1779 565.4238       397.5379 410.6501       450.8504 125.9810 43.87461 115.2479 45.39355 10.73307       63.13126 
1 1 1 -32 2  7  o 227.2903 20.43346 1599.293       269.4746 1361.992       421.9887 1762.695       350.1701 197.7315 37.76616 235.1381 25.81660 -37.40662      45.74691 
1 1 1 -32 2  8  o 79.38310 33.06330 102.3563       255.0387 -35.42445      384.7976 210.2993       340.5928 83.86890 37.64576 94.79157 38.71291 -10.92267      53.99900 
1 1 1 -32 2  9  o 262.8934 17.92543 2117.274       274.7222 2478.202       431.8032 1871.828       356.0852 277.3958 26.87855 241.9337 25.47818 35.46202       37.03504 
1 1 1 -32 2  10 o 112.0484 31.66377 430.4943       217.2390 441.0654       294.3726 417.8523       321.9164 112.2677 37.79342 110.2565 39.38572 2.011185       54.58551 
1 1 1 -32 2  11 o 120.1018 30.30139 492.8946       213.3900 602.9742       292.0848 366.8831       312.5074 129.3878 36.76692 104.8694 38.61140 24.51837       53.31648 
1 1 1 -32 2  12 o 66.32507 28.69495 22.10690       204.9998 -22.74462      269.7408 83.43338       315.4148 71.35381 31.80947 82.66674 35.67868 -11.31293      47.79969 
1 1 1 -32 2  13 f 81.61469 30.41874 196.2736       195.0329 232.5430       262.8056 151.8116       290.9771 89.54133 34.83601 84.88546 35.33243 4.655869       49.61782 
1 1 1 -32 2  14 o 127.1794 26.80409 543.5541       193.6112 503.0786       262.7185 591.6659       286.4308 117.5849 35.28954 126.5824 36.55032 -8.997536      50.80627 
1 1 1 -32 2  15 o 240.2589 14.45552 1757.590       202.7450 1666.594       276.4377 1863.516       298.2531 229.5159 20.76114 242.4122 21.19163 -12.89635      29.66665 
1 1 1 -32 2  16 o 303.4663 12.73969 2781.873       226.2313 2608.802       300.2350 3009.229       344.1139 289.9102 17.74321 310.1826 19.00749 -20.27231      26.00204 
1 1 1 -32 2  17 o 430.3144 11.42291 5563.901       288.0242 5463.042       397.8684 5674.955       417.4956 421.3904 16.12898 428.8633 16.63054 -7.472931      23.16719 
1 1 1 -32 2  18 o 239.0727 14.20507 1746.143       198.2720 1823.971       272.8095 1659.009       288.6593 240.1549 19.53812 226.8306 21.97358 13.32431       29.40368 
1 1 1 -32 2  19 o 111.2251 26.39937 426.3584       169.6092 517.9976       227.0408 310.6349       255.1374 119.1099 31.87509 94.14539 34.84775 24.96452       47.22697 
1 1 1 -32 2  20 o 233.8527 14.03400 1675.442       191.5894 1643.427       269.6384 1708.087       272.2776 226.1893 20.55045 230.8427 20.31868 -4.653427      28.89930 
1 1 1 -32 2  21 o 80.79626 28.36342 220.4949       166.3376 572.0208       234.8753 -133.2044      235.6003 123.8572 32.08078 58.66401 27.45012 65.19315       42.22186 
1 1 1 -32 2  22 o 61.53127 26.09905 56.17288       163.5172 -107.7151      225.8806 236.6206       237.0178 58.33228 27.15639 84.37713 33.00901 -26.04485      42.74418 
1 1 1 -32 2  23 o 100.8979 26.62220 364.0004       159.7919 158.9029       222.2530 583.4559       229.9009 76.02731 31.18658 124.2316 31.51149 -48.20428      44.33482 
1 1 1 -32 2  24 o 114.2274 23.89003 450.5626       154.8891 243.9597       211.5110 689.4751       227.4491 83.38184 31.54986 137.3128 29.14634 -53.93098      42.95233 
1 1 1 -32 2  25 o 46.01374 21.58681 -104.4755      147.3094 -115.7117      204.7640 -92.42181      212.0826 54.34721 25.48179 56.57549 26.33022 -2.228287      36.64154 
1 1 1 -32 2  26 o 161.2167 17.13246 834.0497       159.5094 1000.587       233.3875 688.0709       218.5078 170.0738 24.07048 136.8245 28.16936 33.24931       37.05268 
1 1 1 -32 2  27 o 42.93655 20.54021 -149.4380      146.4968 -151.0811      204.3141 -147.6995      210.1655 51.93997 24.68154 52.89191 25.10461 -0.9519424     35.20539 
1 1 1 -32 2  28 o 114.5218 24.33644 468.4213       158.4092 242.1789       215.0037 737.0613       234.2849 80.81271 31.48944 138.7022 29.69691 -57.88945      43.28385 
1 1 1 -32 2  29 o 108.6322 23.97795 422.8591       148.6684 341.1426       196.0211 533.5148       228.1051 91.90720 30.83956 113.3397 32.58390 -21.43246      44.86412 
1 1 1 -32 2  30 o 195.8504 14.57781 1213.112       166.2423 1108.718       225.1281 1338.299       246.5312 179.4396 21.84190 197.5190 21.63559 -18.07947      30.74357 
1 1 1 -32 2  31 o 125.8817 21.94964 554.5147       156.1580 811.9366       218.3875 285.1921       223.3785 148.1540 26.08654 83.33846 32.20061 64.81557       41.44137 
1 1 1 -32 2  32 o 82.99085 27.36014 268.7454       154.4340 211.7760       219.7948 324.2940       217.0367 75.97292 31.07168 87.13919 32.16105 -11.16627      44.71892 
1 1 1 -32 2  33 o 129.7206 21.96851 593.4793       161.1731 341.4221       230.6506 833.9988       225.3098 87.83372 33.00942 148.3354 26.88895 -60.50166      42.57508 
1 1 1 -32 3  1  o 135.4460 38.70757 645.4619       322.8256 651.7772       432.3982 637.5085       485.2470 134.0359 45.79766 132.9574 48.24492 1.078430       66.52066 
1 1 1 -32 3  2  o 71.10949 32.89014 -178.4122      323.2203 -410.7404      411.4919 195.8371       522.2648 72.34862 34.55990 106.9893 46.04100 -34.64063      57.56875 
1 1 1 -32 3  3  o 190.4366 31.04790 1194.486       334.8272 1029.871       442.8192 1414.240       511.6350 167.2299 44.40868 196.0658 45.39137 -28.83591      63.50203 
1 1 1 -32 3  4  o 211.0727 27.87535 1435.219       336.6395 1242.967       439.3831 1708.476       523.8342 186.6810 41.23409 218.7784 42.35703 -32.09747      59.11318 
1 1 1 -32 3  5  o 363.7012 18.37544 4034.571       390.6821 3682.442       519.1313 4494.473       593.2789 340.7592 26.17686 375.5963 27.11568 -34.83704      37.68937 
1 1 1 -32 3  6  o 245.3415 19.89502 1855.596       283.8093 1977.016       441.1048 1769.824       370.7380 244.8098 31.44845 234.5373 27.47290 10.27251       41.75842 
1 1 1 -32 3  7  o 69.21096 30.90794 -45.40487      255.8295 -77.83433      386.6937 -20.16242      341.1638 82.16010 37.22833 80.51450 35.84103 1.645599       51.67715 
1 1 1 -32 3  8  o 130.9536 32.69953 588.4841       250.3593 830.2446       372.3455 388.9948       338.2309 150.4380 41.06240 108.7374 40.14572 41.70064       57.42647 
1 1 1 -32 3  9  o 114.8302 33.81837 456.8800       243.0798 314.2475       340.9555 604.3156       346.6486 102.1793 39.69963 128.4350 40.88585 -26.25567      56.98871 
1 1 1 -32 3  10 o 97.42356 33.53957 312.7333       232.0220 486.5423       333.6579 149.9865       322.8654 116.6668 40.21786 88.40791 37.03896 28.25888       54.67505 
1 1 1 -32 3  11 o 110.4449 31.35684 420.3512       212.5436 272.0748       279.6803 623.0472       327.0005 94.80467 36.18341 129.8164 39.46016 -35.01169      53.53825 
1 1 1 -32 3  12 o 106.2673 30.92648 389.6725       204.3347 370.2223       266.1448 417.5985       318.9040 103.5635 35.90878 108.8962 39.16505 -5.332687      53.13512 
1 1 1 -32 3  13 f 154.0306 23.76225 769.0109       207.7607 708.5268       269.8120 857.1112       325.6337 141.6837 33.07511 153.3204 36.70243 -11.63667      49.40679 
1 1 1 -32 3  14 o 65.09132 27.79427 40.81755       187.6185 -30.91496      246.5503 139.5043       289.1857 67.48429 30.22462 83.35703 34.99689 -15.87273      46.24186 
1 1 1 -32 3  15 o 57.17926 25.70140 -43.95301      180.0487 39.39035       231.3316 -172.0195      286.7591 70.16532 30.41897 64.74373 30.29143 5.421593       42.92883 
1 1 1 -32 3  16 o 370.3236 11.72186 4123.173       254.2617 3638.824       336.5290 4767.431       388.1263 343.4742 16.75678 393.1050 16.87433 -49.63086      23.78093 
1 1 1 -32 3  17 o 240.3885 14.28458 1764.043       200.4790 1678.187       263.5724 1881.901       308.8116 230.4271 19.69221 241.9742 22.00106 -11.54707      29.52676 
1 1 1 -32 3  18 o 135.0312 23.02538 600.4434       175.8091 624.5518       233.6198 568.9611       266.9671 132.4176 30.68381 122.7930 35.23442 9.624687       46.72217 
1 1 1 -32 3  19 o 230.5890 16.27841 1648.935       218.7262 1593.387       291.7096 1720.271       330.5743 221.0059 22.83433 227.2496 25.22825 -6.243637      34.02751 
1 1 1 -32 3  20 o 92.20488 28.20197 299.7805       166.6859 375.5583       222.1122 202.0794       252.2034 100.7044 32.78980 83.22378 33.55941 17.48063       46.91913 
1 1 1 -32 3  21 o 74.84825 27.62461 176.9804       160.1270 114.3534       213.3127 257.8294       242.3669 72.35751 30.19529 87.24902 33.58623 -14.89151      45.16404 
1 1 1 -32 3  22 f 96.34483 26.83674 330.9085       157.2418 445.1262       215.5004 200.8616       229.9490 108.3240 31.82609 80.64790 32.20771 27.67609       45.27954 
1 1 1 -32 3  23 o 146.7368 18.97185 696.6887       159.4499 686.1582       218.2191 708.7511       233.5534 138.6052 27.81294 139.3659 29.49556 -0.7607117     40.54069 
1 1 1 -32 3  24 o 78.53223 26.58558 214.8528       145.6673 151.2344       202.3705 283.2556       209.8421 73.57193 29.91805 87.60471 31.73487 -14.03278      43.61412 
1 1 1 -32 3  25 o 47.82234 22.11320 -72.85031      145.9614 -75.55466      194.2805 -69.34576      221.1637 55.12787 25.49864 58.96411 27.24925 -3.836239      37.31892 
1 1 1 -32 3  26 o 80.41451 26.98627 233.4489       150.0967 197.0756       204.0799 276.3084       221.5300 77.09708 30.48655 85.60300 32.31122 -8.505920      44.42347 
1 1 1 -32 3  27 o 87.73227 26.91986 285.9258       151.7207 366.8764       207.8533 193.6036       221.9729 95.62388 31.74972 76.97055 31.32111 18.65333       44.59883 
1 1 1 -32 3  28 o 120.5934 22.81844 507.5195       155.4747 723.4897       212.0155 256.2702       228.6774 140.6047 26.68678 82.31504 32.35717 58.28965       41.94247 
1 1 1 -32 3  29 o 56.00655 24.30583 37.32845       148.0084 -71.57790      196.4259 180.3882       225.1286 54.52699 25.36429 74.92074 31.12272 -20.39375      40.14936 
1 1 1 -32 3  30 o 192.0749 15.00420 1172.456       167.6781 1324.356       227.3833 991.3919       248.2542 198.7548 19.76880 163.7942 26.76691 34.96059       33.27571 
1 1 1 -32 3  31 o 123.0563 22.83242 537.5063       158.7152 626.5905       221.9490 444.2784       227.0525 124.3857 30.63118 100.6125 33.17517 23.77322       45.15374 
1 1 1 -32 3  32 o 163.0428 17.30240 873.6766       162.9241 915.9124       234.8964 834.5204       226.1703 156.5266 26.53489 148.8710 26.89402 7.655670       37.78079 
1 1 1 -32 3  33 o 72.42590 27.17889 194.1590       156.2427 124.7426       217.2388 268.5448       224.8805 68.18479 29.51930 80.66436 31.96910 -12.47957      43.51336 
1 1 1 -32 4  1  o 117.2681 39.95171 470.9887       329.0119 394.9676       429.7368 578.6656       511.4423 113.7388 44.46124 128.6815 48.97411 -14.94266      66.14578 
1 1 1 -32 4  2  o 102.9371 38.54928 321.6756       313.9789 378.2772       407.6982 239.1748       492.2133 111.6217 43.39956 107.1703 45.36149 4.451416       62.77887 
1 1 1 -32 4  3  o 225.2077 25.21159 1607.187       327.2839 1615.546       418.5122 1594.026       525.1192 219.8540 33.51654 209.2895 44.17173 10.56451       55.44818 
1 1 1 -32 4  4  o 306.1073 19.80530 2879.147       353.6457 2927.211       461.7422 2810.948       550.0220 303.5856 26.18970 291.3610 32.75501 12.22461       41.93794 
1 1 1 -32 4  5  o 337.5316 18.48595 3480.850       364.5404 2918.679       471.0234 4320.503       575.6495 302.3386 26.84303 368.1837 26.84337 -65.84515      37.96201 
1 1 1 -32 4  6  o 197.2983 23.56676 1229.492       267.3066 883.9562       405.3847 1495.302       355.5549 154.4299 43.11765 214.0612 29.07232 -59.63129      52.00319 
1 1 1 -32 4  7  o 163.9023 27.81764 878.6000       257.8470 735.5712       376.8397 1004.512       353.5728 141.0363 42.25032 169.4754 36.64214 -28.43907      55.92616 
1 1 1 -32 4  8  o 339.4327 14.82388 3478.108       294.3862 3513.887       447.2291 3450.753       391.0529 334.6262 22.92724 334.1726 20.04542 0.4535828      30.45451 
1 1 1 -32 4  9  o 98.39060 32.97638 321.4216       224.1325 374.7081       308.5513 261.8940       326.1203 106.0136 38.47061 97.07025 38.48973 8.943344       54.41918 
1 1 1 -32 4  10 o 82.28246 32.28366 172.9703       227.2722 196.3773       310.9315 146.1182       333.0279 90.69041 37.00745 88.77906 37.43110 1.911354       52.63685 
1 1 1 -32 4  11 o 342.6591 14.08063 3545.983       282.3636 3715.362       420.5761 3406.984       380.9961 344.8446 20.89359 331.3123 19.69686 13.53232       28.71426 
1 1 1 -32 4  12 o 217.3620 16.98018 1452.860       214.7428 1496.144       273.6679 1383.505       346.4172 217.4456 21.75129 202.6136 30.06313 14.83203       37.10674 
1 1 1 -32 4  13 o 289.5571 23.75582 2689.420       399.8735 2668.740       561.0927 2710.763       570.0262 274.5013 35.69772 276.2198 36.04675 -1.718536      50.73161 
1 1 1 -32 4  14 o 92.53146 30.79133 290.1042       195.4694 450.2904       247.6807 25.57887       318.2828 111.6736 34.41855 78.46799 34.79166 33.20556       48.93972 
1 1 1 -32 4  15 o 106.4683 28.81047 392.9693       184.2347 474.3419       238.3462 272.1819       290.3889 114.5241 33.42186 93.39088 36.53645 21.13323       49.51699 
1 1 1 -32 4  16 o 198.8299 16.62490 1223.776       192.0884 1295.826       250.0559 1120.050       300.0296 201.1646 21.52950 180.7305 29.30930 20.43414       36.36694 
1 1 1 -32 4  17 o 284.2485 12.68356 2444.971       210.9088 2315.855       278.1845 2619.521       323.4467 272.8724 17.47477 288.5641 19.22176 -15.69168      25.97775 
1 1 1 -32 4  18 f 284.6595 12.75078 2455.509       212.3289 2107.469       273.7962 2980.625       336.3106 259.4429 18.10798 308.0792 18.70157 -48.63629      26.03166 
1 1 1 -32 4  19 o 141.1104 21.32433 647.7618       170.9759 748.1265       229.3007 522.0901       256.5862 147.2964 27.55648 117.2413 34.80122 30.05512       44.39014 
1 1 1 -32 4  20 o 83.37479 28.32772 237.8155       165.3960 448.5971       221.2214 -29.34376      249.0553 109.7562 32.24548 66.18575 29.94473 43.57043       44.00520 
1 1 1 -32 4  21 o 208.9431 14.57694 1347.961       177.5057 1304.910       244.1632 1396.222       258.5130 200.2097 21.11179 206.6258 21.65403 -6.416168      30.24243 
1 1 1 -32 4  22 o 108.1665 26.02392 412.2744       163.0721 641.8464       225.6477 161.2961       235.9335 132.5667 29.75518 77.41837 31.98301 55.14830       43.68391 
1 1 1 -32 4  23 o 51.88263 23.51699 -40.35435      154.4642 -11.79930      209.0593 -74.68272      229.2211 61.53235 27.67331 60.19504 27.79077 1.337307       39.21912 
1 1 1 -32 4  24 o 135.9719 20.52523 611.4130       158.5845 585.5389       218.2960 640.3279       230.7681 125.1006 30.11700 130.4910 30.67474 -5.390427      42.98806 
1 1 1 -32 4  25 o 41.91565 20.06318 -151.6909      140.2009 -205.7321      191.2155 -88.86226      206.1768 47.94467 23.07415 55.93644 26.00850 -7.991768      34.76864 
1 1 1 -32 4  26 o 396.7097 13.26338 4859.534       308.1530 4797.227       426.5554 4927.547       445.6606 384.1730 18.99093 388.0398 19.64685 -3.866730      27.32498 
1 1 1 -32 4  27 o 116.7050 23.08707 474.9114       152.4203 526.4230       211.4321 419.1766       219.9287 115.9338 30.63925 101.2038 32.60233 14.72994       44.74009 
1 1 1 -32 4  28 o 212.8886 13.90879 1417.845       172.7060 1416.023       235.0628 1419.982       254.5908 206.5166 19.64420 204.4408 21.55782 2.075760       29.16563 
1 1 1 -32 4  29 o 76.80668 26.82756 216.5122       148.6934 200.8259       199.1773 236.2608       223.4840 75.75694 30.06664 79.80142 31.79082 -4.044479      43.75682 
1 1 1 -32 4  30 o 242.2747 12.39009 1818.465       175.4641 1771.941       236.5663 1875.360       261.6062 233.1825 17.42439 237.8349 18.91081 -4.652390      25.71436 
1 1 1 -32 4  31 f 108.5379 23.87347 427.8829       147.8272 542.8784       199.5042 287.8763       220.1333 117.0316 29.17118 83.54360 32.04746 33.48803       43.33587 
1 1 1 -32 4  32 o 227.1974 12.81330 1611.578       170.0399 1822.415       240.1865 1399.732       240.7601 235.5975 17.50825 202.3484 20.57354 33.24919       27.01498 
1 1 1 -32 4  33 o 90.75843 27.46694 327.4385       158.6749 463.4369       222.0993 185.6547       226.7742 102.0996 32.75068 73.30699 30.89676 28.79262       45.02463 
1 1 1 -32 5  1  o 65.61209 30.89021 -250.3526      306.3442 -263.3878      400.3718 -231.9434      475.7985 76.03400 35.64416 84.53455 39.37446 -8.500542      53.11172 
1 1 1 -32 5  2  o 151.8566 35.43991 796.4314       309.8445 1016.354       393.8659 439.3441       501.8804 168.5077 40.38226 118.8405 47.54119 49.66721       62.37702 
1 1 1 -32 5  3  o 339.1363 18.65806 3516.181       369.6703 3406.878       478.1296 3678.624       582.8815 328.5565 25.00104 336.5304 29.84190 -7.973907      38.93060 
1 1 1 -32 5  4  o 147.7680 35.65655 758.4409       305.4366 732.6648       387.9719 800.4584       495.3440 140.9908 43.00692 143.9588 49.02154 -2.967957      65.21278 
1 1 1 -32 5  5  o 195.5926 22.83906 1203.862       257.0625 836.5507       378.7372 1517.618       350.0389 151.2418 41.46676 216.1825 28.28653 -64.94067      50.19582 
1 1 1 -32 5  6  o 212.6686 21.67056 1413.607       266.5141 1579.701       387.2920 1264.205       367.3165 218.1924 31.14865 193.0232 33.67132 25.16917       45.86934 
1 1 1 -32 5  7  o 182.3270 24.32107 1060.821       253.5857 927.7995       360.3745 1191.290       356.8995 160.8229 38.68269 186.8205 33.81870 -25.99760      51.38147 
1 1 1 -32 5  8  o 69.92224 30.22535 25.20217       227.0620 243.0248       324.3288 -184.1934      317.9931 95.58869 38.22495 69.34776 32.26320 26.24093       50.02060 
1 1 1 -32 5  9  o 75.81268 31.44301 98.19039       229.2700 105.4343       309.4000 89.36873       341.4354 84.19708 35.81402 85.97784 37.11453 -1.780754      51.57647 
1 1 1 -32 5  10 f 83.39759 32.19986 189.2879       223.2488 142.6211       298.2245 248.7764       336.7100 85.50101 35.69321 96.00887 38.75451 -10.50786      52.68697 
1 1 1 -32 5  11 o 219.5527 18.37891 1492.156       234.4818 1422.231       311.9121 1583.030       355.5763 208.9902 26.00937 218.6053 28.40567 -9.615051      38.51453 
1 1 1 -32 5  12 o 85.26781 30.63934 227.8847       195.1235 215.0864       245.1564 250.0047       322.3004 86.81242 33.68171 94.34598 37.97513 -7.533562      50.75991 
1 1 1 -32 5  13 o 85.75959 30.92744 232.6980       199.0200 246.6228       246.3803 206.5513       337.6138 89.58491 34.01580 91.62644 38.09193 -2.041534      51.06926 
1 1 1 -32 5  14 o 160.8223 22.22258 832.0536       204.0043 918.0618       261.4434 698.1660       326.1955 165.0226 28.01435 135.1598 38.99831 29.86284       48.01741 
1 1 1 -32 5  15 o 174.5755 19.49994 962.0435       196.2432 873.4155       250.2005 1103.735       316.3547 160.8849 27.50437 177.8310 31.48515 -16.94606      41.80676 
1 1 1 -32 5  16 o 325.5409 13.48711 3215.478       256.9409 3315.164       372.4055 3124.913       354.9605 324.5374 19.65813 315.4730 19.27728 9.064392       27.53281 
1 1 1 -32 5  17 o 209.6909 15.49080 1354.214       189.1589 1376.649       248.7836 1323.470       291.2240 207.6249 20.70694 199.5327 25.46601 8.092194       32.82217 
1 1 1 -32 5  18 o 184.9831 17.11492 1068.463       183.5719 1047.114       235.2115 1101.730       293.6150 178.9495 22.93869 178.3852 29.06503 0.5642395      37.02647 
1 1 1 -32 5  19 o 170.2846 21.13516 938.6193       206.5441 1002.620       267.7648 844.5925       324.5534 170.6730 27.69967 147.0881 37.51152 23.58492       46.63031 
1 1 1 -32 5  20 o 274.5344 13.59298 2304.322       218.1771 2555.611       329.3752 2107.864       291.2317 282.5776 20.00411 257.1156 19.45788 25.46201       27.90652 
1 1 1 -32 5  21 o 87.67979 28.30227 272.9133       165.6858 262.4243       220.6098 286.4846       250.9395 86.76499 32.34922 89.87356 34.28055 -3.108566      47.13416 
1 1 1 -32 5  22 o 69.23936 26.97231 136.8761       157.7091 129.6279       213.5041 145.5802       233.9665 72.98584 30.31287 75.86135 31.63780 -2.875511      43.81575 
1 1 1 -32 5  23 o 55.42778 24.49654 1.214360       156.5475 4.190077       208.3173 -2.646430      237.2835 62.47011 27.89459 65.26208 29.40504 -2.791965      40.53103 
1 1 1 -32 5  24 o 63.97269 25.64859 104.3992       146.4131 -6.394439      203.1676 224.1084       211.1839 60.82237 27.32337 81.00336 31.30639 -20.18100      41.55305 
1 1 1 -32 5  25 o 74.85299 27.07121 191.1230       152.6182 282.2125       207.4449 83.64721       225.3325 86.70831 31.53250 69.12931 29.99560 17.57899       43.52051 
1 1 1 -32 5  26 o 207.0560 13.97904 1335.467       168.7572 1294.916       232.7984 1380.375       244.9852 197.5723 20.38334 203.5322 20.81661 -5.959869      29.13437 
1 1 1 -32 5  27 o 148.0444 18.57804 719.1497       157.7603 858.0690       212.3153 547.8985       235.7310 156.8534 23.82864 115.4742 33.10105 41.37918       40.78583 
1 1 1 -32 5  28 o 120.7142 22.91777 510.2073       156.3163 671.5209       215.9287 332.5781       226.5854 133.2260 28.49783 89.87103 32.91288 43.35499       43.53600 
1 1 1 -32 5  29 o 90.30523 26.21890 306.2782       147.0188 335.5784       196.1856 268.7471       222.0383 91.00787 30.85274 82.85473 32.07949 8.153145       44.50826 
1 1 1 -32 5  30 o 182.1805 15.12067 1057.839       160.1020 1075.815       219.6497 1037.463       233.8540 176.6917 21.64823 170.7010 24.02287 5.990692       32.33797 
1 1 1 -32 5  31 o 116.2420 23.54668 486.5633       155.0166 490.1302       209.2527 482.2249       230.7775 108.3865 31.22338 104.6686 33.36442 3.717896       45.69556 
1 1 1 -32 5  32 o 136.9877 22.02850 658.6532       170.9780 833.5071       228.7147 437.1510       257.4218 148.1913 27.32245 96.71913 35.13296 51.47212       44.50664 
1 1 1 -32 5  33 o 88.80930 28.80671 323.0302       171.5178 183.4178       235.1290 481.8086       250.7495 73.28451 31.19829 100.8810 34.86094 -27.59644      46.78267 
1 1 1 -32 6  1  o 143.7463 35.39769 718.1539       296.4058 885.3505       382.4252 466.5931       469.0879 155.9600 41.20137 119.0610 46.47822 36.89905       62.11102 
1 1 1 -32 6  2  f 129.8180 37.00283 593.6314       295.3932 507.5833       376.3734 731.6523       476.6732 120.2945 42.62693 138.5613 48.05579 -18.26678      64.23717 
1 1 1 -32 6  3  o 284.8019 20.10656 2503.251       333.6804 2308.128       426.0180 2812.957       536.7211 267.7305 27.52345 291.4606 31.92068 -23.73013      42.14819 
1 1 1 -32 6  4  o 183.7824 29.45016 1112.101       306.7100 953.7725       385.1227 1386.656       507.1463 162.1396 40.59605 191.7841 45.73434 -29.64442      61.15284 
1 1 1 -32 6  5  o 252.1794 21.15313 1978.711       309.9686 1974.158       385.2382 1987.072       522.0114 247.5641 26.96877 237.8034 38.76329 9.760696       47.22189 
1 1 1 -32 6  6  o 229.3644 18.73307 1619.899       249.7983 1973.428       357.2175 1281.584       349.4471 249.0284 24.78749 195.6118 31.53228 53.41664       40.10866 
1 1 1 -32 6  7  o 207.9588 19.91629 1343.206       239.9400 1364.626       330.3359 1319.284       349.0932 204.0503 28.37001 198.6667 30.97125 5.383621       42.00090 
1 1 1 -32 6  8  o 105.1169 33.11884 378.0190       227.9734 482.0752       314.1714 262.2949       331.3177 116.2738 39.04299 97.21030 38.71396 19.06353       54.98296 
1 1 1 -32 6  9  o 221.3002 18.97706 1516.930       243.9226 1809.193       341.4584 1212.369       348.5688 237.4479 24.88935 188.2012 32.77024 49.24667       41.15055 
1 1 1 -32 6  10 o 74.95828 30.61040 112.7103       212.9204 209.6188       279.1605 -22.07393      329.2248 89.01817 35.50824 77.85276 34.89301 11.16541       49.78310 
1 1 1 -32 6  11 o 173.0280 21.68738 951.2574       215.2554 754.4803       282.7067 1222.711       332.0450 146.1654 33.67275 189.5496 30.93519 -43.38426      45.72571 
1 1 1 -32 6  12 o 164.5403 22.88249 871.0396       214.8468 651.6339       275.5873 1211.014       343.0509 134.4259 34.71547 186.8323 32.48688 -52.40636      47.54536 
1 1 1 -32 6  13 o 282.6621 13.69031 2419.821       226.2757 2253.346       285.4474 2701.318       371.1841 269.5143 18.16511 291.7004 21.85601 -22.18613      28.41930 
1 1 1 -32 6  14 f 115.4339 28.25612 458.6284       189.7202 528.1349       236.0939 331.9330       318.7514 121.4296 32.50817 99.57633 38.46782 21.85329       50.36422 
1 1 1 -32 6  15 o 140.4547 24.25555 651.2627       192.5799 608.9989       239.3937 728.7731       324.1966 130.8346 31.56500 137.5266 38.61730 -6.691940      49.87630 
1 1 1 -32 6  16 o 166.3831 19.47544 877.7793       186.4491 1084.940       239.6323 559.9745       296.8055 182.7158 22.86138 120.5404 37.76299 62.17543       44.14392 
1 1 1 -32 6  17 o 255.0421 13.51273 1979.110       201.3970 1732.631       258.1688 2362.292       321.8967 234.5421 18.92930 272.7051 20.27170 -38.16296      27.73554 
1 1 1 -32 6  18 o 153.9416 20.20390 760.8501       178.0085 724.0211       230.8782 814.8337       279.5238 144.4565 28.26444 149.5629 32.77449 -5.106461      43.27870 
1 1 1 -32 6  19 o 257.9366 13.21546 2027.535       199.2487 2088.143       266.2702 1950.414       300.3603 257.9614 17.70760 246.0353 21.01693 11.92610       27.48219 
1 1 1 -32 6  20 o 125.1416 23.92668 529.2217       169.2060 415.2074       221.6146 688.5932       262.0136 105.0816 32.58631 135.2494 33.26614 -30.16773      46.56720 
1 1 1 -32 6  21 o 78.71847 27.79129 209.5177       159.8600 428.3135       212.8688 -73.47691      242.0927 106.4808 31.72061 62.20737 28.66257 44.27343       42.75208 
1 1 1 -32 6  22 o 118.0614 24.19936 479.6368       161.9234 483.0135       218.7783 475.5464       240.7896 112.5465 31.76583 109.8409 33.95079 2.705544       46.49434 
1 1 1 -32 6  23 o 122.6878 23.20030 513.1897       160.8204 528.6141       212.3941 492.4643       246.2013 118.6906 30.38580 110.8918 34.33946 7.798828       45.85297 
1 1 1 -32 6  24 o 59.06548 25.04761 54.32162       150.5512 117.2103       200.9818 -26.08283      227.2536 70.06634 29.27958 62.27930 28.34538 7.787033       40.75235 
1 1 1 -32 6  25 o 43.32132 20.72259 -154.5783      149.0444 -326.0855      201.2273 53.86168       221.8381 44.63992 21.95748 66.50626 29.28624 -21.86633      36.60349 
1 1 1 -32 6  26 o 225.3835 13.20669 1572.673       173.8038 1597.230       241.3434 1546.216       250.5038 221.3349 18.76920 216.3478 19.96810 4.987061       27.40452 
1 1 1 -32 6  27 o 60.91743 24.94637 89.82929       141.9063 64.04634       186.3384 125.4286       218.9561 63.01614 27.31034 70.70061 30.10252 -7.684475      40.64501 
1 1 1 -32 6  28 o 202.4132 13.32003 1276.492       157.2441 1169.619       217.0845 1394.461       228.0758 186.9250 20.11846 205.3651 19.15763 -18.44003      27.78070 
1 1 1 -32 6  29 o 124.2678 20.31721 524.2391       142.9601 667.2524       201.0669 378.0260       203.3038 134.5439 26.42487 95.80540 31.38208 38.73853       41.02571 
1 1 1 -32 6  30 o 140.0513 19.98048 664.8996       159.4658 756.1773       222.5027 568.4996       228.6606 141.0702 27.88245 116.2858 32.35174 24.78443       42.70909 
1 1 1 -32 6  31 o 78.01476 29.35140 235.0028       182.4716 233.6266       254.5150 236.4583       261.7443 78.73228 32.92846 79.09208 33.25611 -0.3598022     46.80013 
1 1 1 -32 6  32 o 245.9238 13.37508 1898.822       192.1806 1846.029       250.5289 1974.306       299.5670 235.9219 18.24845 238.5502 21.64779 -2.628357      28.31312 
1 1 1 -32 7  1  o 83.27853 35.01300 108.9941       290.0860 628.1228       364.6629 -785.6490      478.7171 130.9269 41.96230 68.55913 33.75106 62.36781       53.85136 
1 1 1 -32 7  2  o 186.8775 28.34687 1142.228       300.9417 1245.240       385.0258 980.4807       482.4625 189.6692 35.92820 158.1504 47.90162 31.51881       59.87822 
1 1 1 -32 7  3  o 113.6526 36.98033 448.7675       282.5374 513.6362       356.8970 339.8610       462.4366 120.1080 41.58599 109.8979 45.02209 10.21010       61.28934 
1 1 1 -32 7  4  o 170.6337 25.82194 940.1341       250.3364 1025.764       360.6662 860.5296       347.7456 170.5876 37.10841 154.8682 38.46170 15.71938       53.44471 
1 1 1 -32 7  5  o 190.0324 21.56721 1133.260       236.1195 1280.198       330.6212 980.3011       337.3267 196.8160 29.55524 167.7431 35.40300 29.07285       46.11816 
1 1 1 -32 7  6  o 226.1310 18.57936 1575.914       244.2291 1321.682       326.3303 1899.637       368.2389 200.5608 28.54868 242.7964 26.27886 -42.23558      38.80213 
1 1 1 -32 7  7  o 69.32946 29.79764 34.20936       218.2416 90.22755       291.1318 -37.65248      329.7421 81.46078 34.69846 77.60267 34.83965 3.858116       49.17097 
1 1 1 -32 7  8  o 135.9767 27.67199 615.7447       213.1609 814.8954       286.0882 367.2088       319.5977 153.5654 32.76466 105.0069 38.97734 48.55856       50.91912 
1 1 1 -32 7  9  o 263.9895 16.01539 2125.963       246.7897 2367.466       343.6995 1868.925       354.5814 274.4468 21.52569 240.4428 25.53511 34.00403       33.39757 
1 1 1 -32 7  10 o 70.44873 29.59713 70.84912       207.0460 -144.6642      266.6481 398.0757       328.5683 64.12009 29.73256 107.0976 39.56317 -42.97752      49.49010 
1 1 1 -32 7  11 o 102.4634 30.87453 363.2988       200.7992 422.8320       256.3853 268.8437       322.9434 108.8330 35.21315 95.69809 38.18519 13.13493       51.94300 
1 1 1 -32 7  12 o 164.4168 23.12709 873.0070       216.8515 918.9262       283.4626 808.2135       336.7159 163.3715 30.71196 146.5267 38.63788 16.84485       49.35697 
1 1 1 -32 7  13 o 191.2527 19.32642 1148.786       213.8039 1278.550       273.5579 945.0977       342.7330 198.4535 23.99022 159.6323 37.28626 38.82114       44.33730 
1 1 1 -32 7  14 o 203.0956 17.08969 1278.574       201.6700 1599.150       253.2952 723.4727       333.3099 225.6274 19.32788 136.5828 39.42507 89.04457       43.90789 
1 1 1 -32 7  15 o 174.2160 19.10400 957.8016       191.9946 1069.523       236.4690 741.6838       328.8906 181.6743 22.68683 138.1311 38.93428 43.54314       45.06186 
1 1 1 -32 7  16 o 218.0990 16.45731 1472.945       208.9521 1583.745       281.9792 1338.009       311.1797 221.7416 21.97160 198.9356 27.39840 22.80597       35.12013 
1 1 1 -32 7  17 o 184.9923 17.41312 1070.350       186.6992 966.1937       238.7636 1234.246       299.5087 170.6417 24.56472 190.3892 27.62981 -19.74742      36.97069 
1 1 1 -32 7  18 o 134.0533 22.97175 594.7345       174.1070 711.1385       226.0241 424.8757       273.0328 143.1931 27.91761 105.5635 36.38148 37.62956       45.85853 
1 1 1 -32 7  19 o 69.41677 27.53207 124.4482       166.9071 65.54859       212.1798 220.0546       270.3281 68.54679 29.41980 85.56407 34.65766 -17.01728      45.46073 
1 1 1 -32 7  20 o 184.3258 16.42405 1064.501       175.6908 1112.002       233.9467 1003.060       266.0703 183.8098 22.14771 169.5332 27.71719 14.27664       35.47906 
1 1 1 -32 7  21 o 55.50604 24.61271 -5.699913      159.3210 25.50825       203.6801 -54.89523      255.7268 63.77844 28.07442 64.63851 29.66392 -0.8600731     40.84264 
1 1 1 -32 7  22 o 169.8010 17.32449 916.6378       170.1101 1059.420       225.5677 728.3461       259.0333 178.6214 21.99648 138.3220 32.48789 40.29938       39.23402 
1 1 1 -32 7  23 o 169.1935 17.66209 915.6582       172.6793 756.0548       227.3244 1133.382       265.5085 145.2971 27.68767 180.5011 25.81549 -35.20404      37.85561 
1 1 1 -32 7  24 o 45.72723 21.60616 -124.0680      152.3521 -102.5565      201.3803 -152.8582      232.9728 54.58052 25.48665 56.20134 26.60373 -1.620819      36.84193 
1 1 1 -32 7  25 o 161.4692 17.86827 842.9052       166.3808 923.1781       214.8855 722.7445       262.9081 164.4227 22.90501 134.3771 33.48303 30.04558       40.56788 
1 1 1 -32 7  26 o 51.65228 23.30109 -22.68002      149.5161 68.70045       184.6522 -196.6642      254.7903 63.48779 27.34921 56.26799 26.96339 7.219803       38.40578 
1 1 1 -32 7  27 o 131.7122 20.64262 586.3914       154.2211 607.2670       203.0070 557.9017       237.1565 127.3099 27.95631 115.9588 33.18859 11.35102       43.39399 
1 1 1 -32 7  28 o 65.32759 25.63520 129.6655       143.3209 235.2516       196.2175 8.909534       209.8403 79.43194 30.30948 61.02922 27.56095 18.40272       40.96670 
1 1 1 -32 7  29 o 62.46168 25.52515 103.7431       148.1804 -14.45092      205.0793 232.8589       214.3452 58.73996 26.80860 78.96633 31.23816 -20.22637      41.16459 
1 1 1 -32 7  30 o 93.51263 27.58522 341.2576       161.6220 222.1078       209.4113 516.7875       254.1727 77.16764 30.76304 106.4497 35.10062 -29.28204      46.67353 
1 1 1 -32 7  31 o 94.92539 27.82423 355.4118       164.8781 266.4708       210.6115 496.2099       264.9900 81.22891 31.29830 102.4664 35.81215 -21.23748      47.56147 
1 1 1 -32 7  32 o 147.1981 20.34997 743.6281       170.9832 790.7559       230.8685 686.3751       254.4632 142.3255 28.65127 125.0165 33.87181 17.30908       44.36434 
1 1 1 -32 8  1  o 83.05392 35.10638 104.2100       294.1585 410.0797       379.4276 -356.5925      465.7127 111.2798 42.22210 78.45204 37.27516 32.82773       56.32178 
1 1 1 -32 8  2  o 117.6808 37.80720 490.2164       295.8938 818.1917       378.6328 -24.30477      474.2412 148.2781 41.76813 91.45776 41.35546 56.82034       58.77798 
1 1 1 -32 8  3  o 156.1876 30.97145 823.0834       273.6755 527.5644       326.5586 1520.384       501.6241 121.0804 39.77931 202.0412 43.61357 -80.96075      59.02996 
1 1 1 -32 8  4  o 330.7178 17.29383 3340.666       334.2625 3754.882       418.4479 2610.304       555.6441 347.7988 20.60696 275.7513 35.15643 72.04749       40.75072 
1 1 1 -32 8  5  o 165.4124 23.97132 877.0233       225.7777 681.6605       292.2193 1166.382       355.6364 138.5953 35.72485 183.7824 34.25520 -45.18715      49.49428 
1 1 1 -32 8  6  o 346.2516 14.00804 3615.208       283.8718 3583.542       403.0909 3646.365       399.8395 339.6198 20.33068 342.9319 19.96686 -3.312134      28.49582 
1 1 1 -32 8  7  o 122.9314 29.93160 515.6989       213.7479 517.3820       281.9457 513.4243       327.7747 119.9613 36.67610 118.6330 39.87967 1.328339       54.18048 
1 1 1 -32 8  8  o 168.9957 22.94007 913.4493       221.4985 1107.111       289.3297 639.2402       344.2799 182.9288 27.84616 130.2854 40.64956 52.64340       49.27267 
1 1 1 -32 8  9  o 111.2322 29.87105 425.6740       198.9624 597.5087       252.4724 144.0807       323.1988 130.1731 33.02413 87.03390 36.79408 43.13917       49.44085 
1 1 1 -32 8  10 o 56.39304 25.80965 -87.74545      191.8298 -7.085958      239.7832 -231.1536      319.7260 68.40897 30.27150 66.60675 31.41957 1.802223       43.62973 
1 1 1 -32 8  11 o 159.3678 23.04027 819.9651       209.1041 888.0578       274.6956 726.1415       322.4465 160.9956 30.20204 139.0376 38.31720 21.95802       48.78905 
1 1 1 -32 8  12 o 89.39510 30.50002 266.4592       191.7641 280.4149       237.6010 240.3831       324.7841 92.36170 33.72266 92.92579 37.85926 -0.5640869     50.70051 
1 1 1 -32 8  13 f 111.4964 28.61372 430.3020       188.0270 532.3316       231.1717 230.8585       323.2075 122.1880 31.91614 91.72140 37.61458 30.46658       49.33048 
1 1 1 -32 8  14 o 162.4697 20.93213 844.7572       194.8215 1052.002       244.8048 486.7847       321.7381 179.4180 23.85562 112.8061 39.45844 66.61182       46.10921 
1 1 1 -32 8  15 o 73.63137 28.26333 151.0888       171.2916 258.0657       204.7040 -98.75705      312.8364 87.91399 31.40698 70.50330 32.51998 17.41069       45.21004 
1 1 1 -32 8  16 o 183.8240 17.25742 1054.867       183.8737 1109.089       229.7719 958.3101       306.6230 185.5192 21.51681 162.6929 33.25924 22.82634       39.61250 
1 1 1 -32 8  17 o 186.5766 17.33479 1089.416       187.5126 756.3176       234.2388 1683.731       312.8821 147.9238 28.02604 226.1981 23.94861 -78.27426      36.86455 
1 1 1 -32 8  18 o 289.5307 13.24544 2553.524       224.3157 2222.877       308.6992 2923.426       326.5100 263.7673 20.10710 304.6946 18.35693 -40.92734      27.22632 
1 1 1 -32 8  19 o 115.4731 25.47561 459.7525       167.8909 495.7834       215.0936 403.5725       268.5842 116.0090 31.01610 102.2923 36.03082 13.71669       47.54176 
1 1 1 -32 8  20 o 64.88280 26.84357 86.34553       166.5314 287.9127       210.4296 -251.4620      272.4154 89.31511 31.85030 57.82995 27.75624 31.48516       42.24749 
1 1 1 -32 8  21 o 65.41439 26.54509 101.8226       158.9223 -48.42728      200.4479 356.1100       260.7696 58.22451 26.54677 96.00311 35.28366 -37.77861      44.15504 
1 1 1 -32 8  22 o 217.5039 14.17569 1463.755       179.8411 1554.767       235.9626 1337.613       277.7944 220.3077 18.43138 198.1769 24.41688 22.13080       30.59248 
1 1 1 -32 8  23 o 127.1027 22.43207 547.3553       161.1038 494.7379       204.9807 632.3756       260.5613 114.5029 30.12430 125.5435 34.38355 -11.04067      45.71326 
1 1 1 -32 8  24 o 144.1433 20.07419 686.4517       165.1026 713.8929       208.8372 640.7128       269.6175 141.9060 26.05303 124.5475 35.30211 17.35851       43.87482 
1 1 1 -32 8  25 o 44.81615 21.46556 -164.3046      161.0603 -246.9742      200.4863 -13.86019      270.4580 47.33699 22.98447 66.58181 30.53742 -19.24482      38.22067 
1 1 1 -32 8  26 o 90.71746 26.73435 305.8925       151.8675 303.8010       193.9088 309.2107       244.2456 88.31747 30.64917 88.11777 33.76841 0.1996918      45.60347 
1 1 1 -32 8  27 o 51.67829 23.20093 -12.11345      146.2306 109.1017       190.4175 -186.3597      228.3022 66.94049 28.26789 53.11584 25.47155 13.82465       38.05093 
1 1 1 -32 8  28 o 152.0773 18.14658 760.1583       158.6591 979.0870       217.6333 511.8193       231.7910 168.0371 22.66065 110.0582 33.17360 57.97890       40.17453 
1 1 1 -32 8  29 o 191.0979 14.70491 1157.587       163.5379 1146.786       224.1089 1169.890       239.1810 183.0498 21.27133 183.0679 22.76797 -0.1811218E-01 31.15846 
1 1 1 -32 8  30 o 135.9175 20.19926 630.0086       156.1251 602.9459       202.3901 669.7786       245.3475 124.7276 28.31721 125.7856 32.89206 -1.058006      43.40221 
1 1 1 -32 8  31 o 170.8482 17.08842 955.9587       168.9281 1082.988       231.0057 809.9485       247.6640 174.8358 23.09314 141.8978 30.65705 32.93802       38.38161 
1 1 1 -32 8  32 o 109.1310 26.58945 458.2796       168.5919 596.3867       234.6356 310.8762       242.4040 117.0124 32.85156 84.40328 33.27252 32.60907       46.75773 
1 1 1 -32 9  1  o 111.6095 37.72936 437.0046       293.3745 614.1566       366.0687 118.9410       490.5085 128.2492 42.11613 98.43345 43.43851 29.81573       60.50349 
1 1 1 -32 9  2  o 253.4795 20.13992 1997.505       296.9398 2056.437       360.9005 1874.011       522.4431 253.7963 24.55292 227.1964 40.70413 26.59990       47.53601 
1 1 1 -32 9  3  o 121.6272 30.99040 507.5361       221.6581 388.9017       294.2468 663.1827       337.0359 106.6491 37.69988 133.9021 39.91977 -27.25297      54.90782 
1 1 1 -32 9  4  o 387.0736 18.70175 4614.620       423.2913 0.000000       0.000000 4614.620       423.2913 ?        ?        387.0736 18.70175 0.000000       18.70175 
1 1 1 -32 9  5  o 391.0486 13.67283 4607.086       313.0914 4907.637       464.6168 4357.075       423.7552 397.6703 19.98552 375.3342 19.31566 22.33612       27.79417 
1 1 1 -32 9  6  o 149.6241 28.61769 750.1812       241.9753 749.4907       276.7011 752.4259       498.8934 146.6588 32.97338 135.8120 48.96803 10.84683       59.03483 
1 1 1 -32 9  7  o 104.9143 30.96103 379.2315       203.5665 454.2283       254.4037 245.7452       339.4065 113.0417 34.88999 95.43175 38.76830 17.60992       52.15642 
1 1 1 -32 9  8  o 191.2350 19.86746 1146.078       219.5795 1242.996       284.2111 1002.564       345.8480 195.4396 25.39578 166.8719 36.36830 28.56775       44.35762 
1 1 1 -32 9  9  o 84.22018 30.86246 217.7203       199.2807 489.7315       249.9441 -256.9142      330.1636 116.8597 34.25934 66.76836 31.62490 50.09133       46.62442 
1 1 1 -32 9  10 o 268.3841 14.90788 2193.339       233.7293 2247.480       312.0692 2124.165       352.7415 267.7799 20.01593 257.0639 23.66257 10.71600       30.99282 
1 1 1 -32 9  11 o 102.0055 29.80799 360.9234       189.4784 420.4861       240.5560 263.5681       307.5452 108.2603 34.00840 93.86337 37.32598 14.39695       50.49554 
1 1 1 -32 9  12 o 263.6106 14.63682 2118.097       225.3989 1922.122       297.8592 2380.693       344.7902 246.3801 20.80799 273.5046 21.67215 -27.12450      30.04421 
1 1 1 -32 9  13 o 54.04772 24.96548 -101.8326      185.3276 12.49682       230.3783 -311.5097      311.9880 67.87665 29.86883 61.90774 29.71093 5.968906       42.12941 
1 1 1 -32 9  14 o 111.4898 29.54637 437.7276       196.2721 664.7527       244.8138 29.26464       328.3789 136.8132 31.20438 78.61385 35.06818 58.19939       46.94135 
1 1 1 -32 9  15 o 142.5521 24.56748 676.2548       197.9787 903.2560       251.7083 308.0058       320.5931 163.0636 27.28334 96.31658 38.17134 66.74702       46.91942 
1 1 1 -32 9  16 o 135.9768 23.58950 612.8916       181.3024 766.5329       222.5765 309.9312       312.5491 150.5156 26.16351 95.74739 37.76980 54.76825       45.94656 
1 1 1 -32 9  17 o 174.9625 18.06875 965.8425       182.7418 1006.232       231.8781 899.6382       296.8734 174.8142 23.18821 156.4112 33.38041 18.40294       40.64412 
1 1 1 -32 9  18 o 314.0430 11.85145 2983.732       217.8869 2698.899       282.0448 3405.323       343.1379 294.5554 16.39143 329.2418 17.83725 -34.68640      24.22492 
1 1 1 -32 9  19 f 131.4422 23.18937 579.7029       172.2297 646.8385       219.2166 471.4302       278.3920 134.7565 28.62255 108.6061 36.75314 26.15040       46.58373 
1 1 1 -32 9  20 o 130.1537 23.49211 573.7115       172.7232 533.5690       218.1986 641.0774       282.6635 119.5941 30.89262 126.0672 36.28091 -6.473076      47.65143 
1 1 1 -32 9  21 o 113.2780 25.41245 449.3972       164.6620 268.8311       205.6302 772.1212       274.9062 86.44377 31.40043 141.4144 33.63877 -54.97060      46.01689 
1 1 1 -32 9  22 o 45.31008 21.56402 -149.6451      157.1617 88.64114       193.9994 -604.6262      268.0696 67.27094 28.47599 46.33406 23.20615 20.93688       36.73428 
1 1 1 -32 9  23 o 122.4576 22.53531 510.5133       155.8832 468.4915       193.8134 587.4969       262.3283 111.9006 29.22105 119.6715 35.10168 -7.770844      45.67273 
1 1 1 -32 9  24 o 51.78238 23.63067 -44.98301      159.2855 109.5891       196.5583 -340.6696      271.8577 68.54818 28.82061 53.47294 26.14010 15.07524       38.90928 
1 1 1 -32 9  25 o 85.15792 27.39906 268.8834       155.3629 251.3814       193.8303 300.3336       259.8300 82.32030 30.39119 87.65121 34.47988 -5.330917      45.96179 
1 1 1 -32 9  26 o 83.68065 26.92066 260.3029       149.9877 315.1440       196.4868 183.7253       232.1834 89.34250 30.85995 76.20541 31.62720 13.13709       44.18842 
1 1 1 -32 9  27 o 83.43835 26.64650 260.2090       147.1456 383.8732       201.5560 119.0841       215.3155 97.21033 31.20095 69.53163 29.73497 27.67870       43.10067 
1 1 1 -32 9  28 o 140.9362 18.73707 658.9764       151.0392 748.7362       213.1862 568.5136       214.0196 142.7506 26.43763 119.5812 30.44244 23.16943       40.31985 
1 1 1 -32 9  29 o 117.8541 22.45986 489.3079       149.5736 442.7608       189.1547 566.9794       244.3442 105.2038 29.48201 113.9330 33.99564 -8.729271      44.99880 
1 1 1 -32 9  30 o 86.94289 26.83663 292.2406       150.5111 21.48427       192.3309 720.0390       241.7571 59.20730 26.59232 132.4857 31.56555 -73.27837      41.27391 
1 1 1 -32 9  31 o 171.7505 16.77070 963.0941       166.7774 870.5441       225.9473 1073.874       247.2009 152.9864 26.11970 171.0266 25.41703 -18.04021      36.44535 
1 1 1 -32 10 1  o 102.2038 35.49185 354.8615       260.0470 690.8923       305.3938 -531.3748      495.9585 138.0839 36.97525 75.35187 36.48378 62.73206       51.94455 
1 1 1 -32 10 2  o 185.2950 26.02515 1118.225       275.0335 1118.763       321.5381 1116.756       530.9324 181.4789 31.34321 163.0179 50.41850 18.46101       59.36684 
1 1 1 -32 10 3  o 113.8016 32.47697 451.8479       227.4165 532.3260       302.8450 347.7847       344.3735 120.7851 38.18711 103.7915 40.01378 16.99366       55.31147 
1 1 1 -32 10 4  o 366.5513 13.88353 4055.341       297.9200 4495.814       440.8851 3685.208       404.1523 380.4296 19.82907 344.0651 20.11650 36.36447       28.24651 
1 1 1 -32 10 5  o 268.1738 22.89795 2284.162       356.6913 0.000000       0.000000 2284.162       356.6913 ?        ?        268.1738 22.89795 0.000000       22.89795 
1 1 1 -32 10 6  o 161.6977 22.30750 835.5167       205.9159 560.4636       258.4160 1313.935       340.8121 125.2939 34.21194 197.0319 30.47638 -71.73799      45.81775 
1 1 1 -32 10 7  o 91.75389 30.68651 280.7015       194.0983 453.8447       243.3414 -22.11829      321.8144 112.9021 33.98108 76.68797 34.42450 36.21413       48.37107 
1 1 1 -32 10 8  o 128.0133 28.63044 558.5093       209.5541 524.2626       261.4823 619.9921       350.3559 120.3429 34.97394 126.9055 41.17179 -6.562622      54.02123 
1 1 1 -32 10 9  o 297.6127 14.10458 2685.979       245.4848 2704.008       328.8759 2663.294       368.8963 294.5770 19.13994 289.7693 21.86848 4.807709       29.06145 
1 1 1 -32 10 10 o 96.47569 29.31740 319.8186       180.5191 285.8295       219.9296 390.0007       316.0293 92.41904 32.59996 104.8837 38.79091 -12.46470      50.67043 
1 1 1 -32 10 11 o 257.3715 14.45047 2017.404       217.2427 2245.511       286.9502 1711.100       332.5168 268.5944 18.32603 228.5017 25.23242 40.09267       31.18523 
1 1 1 -32 10 12 o 107.1569 27.95314 396.6232       177.4810 336.8478       219.0928 510.7232       302.6982 97.87629 32.59967 115.7849 38.31027 -17.90856      50.30324 
1 1 1 -32 10 13 o 149.9998 22.86117 733.9666       194.7643 821.7751       250.5537 599.8961       309.5989 154.6665 28.67765 124.3420 38.50827 30.32446       48.01348 
1 1 1 -32 10 14 o 98.26850 30.10774 340.7917       189.8717 640.4973       242.1587 -137.5162      305.9189 133.8325 31.39728 67.87209 31.59961 65.96040       44.54576 
1 1 1 -32 10 15 o 177.9127 19.72059 1007.389       202.3163 1254.004       260.3900 631.7277       321.3755 195.9605 23.10054 125.9381 39.27119 70.02245       45.56162 
1 1 1 -32 10 16 o 103.8012 29.11973 383.3832       184.4316 271.2030       231.6850 577.4448       304.7259 89.37682 33.18432 120.5147 38.33038 -31.13789      50.69928 
1 1 1 -32 10 17 o 212.8847 16.04164 1408.233       198.8094 1010.232       257.9658 1990.406       311.9943 172.1779 26.38637 247.7535 21.69076 -75.57556      34.15742 
1 1 1 -32 10 18 o 109.7911 26.90789 424.1361       171.8880 475.8287       214.8801 332.2861       286.4322 113.2751 31.30402 95.24289 36.55093 18.03226       48.12392 
1 1 1 -32 10 19 o 216.3483 14.42287 1445.763       181.9568 1505.715       230.6746 1347.022       296.0352 217.5695 18.24595 197.9810 26.13342 19.58850       31.87272 
1 1 1 -32 10 20 o 182.7452 16.41588 1051.126       174.0656 1140.591       217.1078 890.1312       291.2434 187.3549 20.07122 152.7615 33.43808 34.59335       38.99947 
1 1 1 -32 10 21 o 47.53682 22.27796 -109.0826      156.1938 -93.66486      192.1466 -139.1167      268.1812 54.15918 25.15685 61.49588 28.93673 -7.336697      38.34320 
1 1 1 -32 10 22 o 65.21446 26.59519 103.0424       160.4601 84.57257       198.3816 137.9892       272.8815 67.16498 28.62707 77.03484 33.21658 -9.869858      43.85031 
1 1 1 -32 10 23 o 125.0791 23.14163 537.3749       163.5067 738.5270       202.2417 157.7905       277.8195 145.8387 24.51421 78.15847 33.60641 67.68026       41.59732 
1 1 1 -32 10 24 o 97.07330 27.17041 349.0737       160.7594 179.8846       202.3457 638.6369       264.7155 75.24670 30.15790 123.9162 34.93058 -48.66948      46.14807 
1 1 1 -32 10 25 o 42.30452 20.37445 -172.6291      149.7223 -254.9073      191.7132 -43.98397      239.7211 45.57312 22.20658 61.67832 28.45578 -16.10521      36.09520 
1 1 1 -32 10 26 o 102.9667 26.06758 391.6175       157.5405 398.9375       208.1263 381.7960       241.0804 98.89361 31.70186 94.88960 34.06182 4.004013       46.53188 
1 1 1 -32 10 27 o 87.53930 27.13066 290.5384       153.6456 352.0631       201.2225 204.5129       237.9388 93.02301 31.24635 77.53072 32.08246 15.49229       44.78414 
1 1 1 -32 10 28 o 61.07513 25.17575 93.20486       145.7583 66.22454       184.9328 137.4521       236.8284 62.32614 27.10760 71.70352 30.93136 -9.377380      41.12871 
1 1 1 -32 10 29 o 141.9761 18.62898 672.4923       151.3768 617.8248       188.5483 771.6336       253.9131 129.2430 25.77949 136.8228 32.18508 -7.579758      41.23665 
1 1 1 -32 10 30 o 165.5793 16.65640 893.1507       159.5523 988.9252       198.0745 716.1749       269.2531 170.4582 20.20601 126.7716 35.04442 43.68655       40.45237 
1 1 1 -32 10 31 o 213.2883 13.44242 1431.170       167.2940 1255.918       212.2826 1718.395       271.7653 193.4560 18.95328 223.3649 20.99178 -29.90886      28.28218 
1 1 1 -32 11 1  o 240.2742 20.67769 1810.762       288.5484 1780.633       337.2174 1893.131       557.5663 234.9483 24.84913 222.2360 44.33415 12.71223       50.82318 
1 1 1 -32 11 2  o 121.9958 30.97211 515.9119       221.9579 577.9429       287.6532 424.6317       348.9420 125.8710 36.71173 109.8012 40.73296 16.06987       54.83544 
1 1 1 -32 11 3  o 110.0486 46.08797 369.7697       499.6069 0.000000       0.000000 369.7697       499.6069 ?        ?        110.0486 46.08797 0.000000       46.08797 
1 1 1 -32 11 4  o 189.8885 47.04369 1451.084       521.1837 0.000000       0.000000 1451.084       521.1837 ?        ?        189.8885 47.04369 0.000000       47.04369 
1 1 1 -32 11 5  o 298.8379 16.66058 2737.958       290.8396 2571.793       337.6657 3215.541       572.4561 286.6855 20.21266 306.4884 32.33441 -19.80292      38.13222 
1 1 1 -32 11 6  o 123.8869 28.14033 521.4155       199.7857 438.6674       249.4886 669.3245       333.5560 110.7197 34.61285 132.6810 39.75050 -21.96130      52.70818 
1 1 1 -32 11 7  o 102.3997 30.74231 364.0302       199.3511 265.8425       246.4647 549.8073       339.0177 91.52057 34.17841 120.2143 40.55841 -28.69376      53.03912 
1 1 1 -32 11 8  o 135.0474 25.78641 606.6810       196.7872 788.7346       247.4668 293.5484       324.5498 152.3932 28.74228 97.16295 38.43805 55.23027       47.99586 
1 1 1 -32 11 9  o 120.4625 27.92039 496.1057       193.3956 516.8206       240.2683 457.9903       325.9167 119.9166 33.08708 111.0200 39.63290 8.896675       51.62868 
1 1 1 -32 11 10 o 121.6540 28.01599 507.7511       195.7577 619.8610       240.2378 286.2203       337.7042 132.4340 31.40924 96.51189 38.86321 35.92213       49.96889 
1 1 1 -32 11 11 o 130.7169 25.91595 574.3483       191.6564 501.4254       238.8730 706.1172       321.1010 117.4827 33.20421 135.3700 38.57746 -17.88728      50.89931 
1 1 1 -32 11 12 o 192.3083 18.39384 1159.699       204.9283 1213.364       262.2662 1075.569       328.3784 192.7934 23.69292 173.0056 33.57538 19.78781       41.09332 
1 1 1 -32 11 13 f 69.20530 28.53013 94.63523       187.2135 155.7298       233.7220 -14.74263      312.7251 79.06974 32.15271 74.63311 33.68060 4.436630       46.56371 
1 1 1 -32 11 14 o 41.14037 20.25441 -320.6221      172.4983 -243.5936      207.1054 -495.0939      311.6938 50.01175 24.05484 55.65355 27.36555 -5.641796      36.43499 
1 1 1 -32 11 15 o 155.0153 20.95386 776.6155       185.6239 794.2952       234.5108 746.9564       303.7428 152.1884 27.27620 139.1955 36.69383 12.99290       45.72121 
1 1 1 -32 11 16 o 165.9220 19.51781 880.7803       186.2980 817.1706       238.5979 980.1276       298.1831 153.8296 27.45427 164.4479 32.06982 -10.61827      42.21623 
1 1 1 -32 11 17 o 95.79815 29.40378 330.4893       180.9939 413.4239       230.7692 197.9325       291.7502 104.5541 33.36778 84.68884 35.32505 19.86531       48.59288 
1 1 1 -32 11 18 o 219.7870 14.54852 1492.180       186.4749 1350.678       235.4522 1730.286       305.4265 204.6716 19.86482 228.2931 23.13087 -23.62151      30.49013 
1 1 1 -32 11 19 o 64.63081 26.47136 92.81771       159.8190 32.63152       198.0402 205.2100       270.6283 63.62602 27.85481 82.96096 34.26155 -19.33494      44.15591 
1 1 1 -32 11 20 o 166.3649 17.81815 883.8834       171.1453 1091.006       216.8989 542.1792       278.5921 182.5689 20.61749 114.6002 36.67201 67.96870       42.07038 
1 1 1 -32 11 21 o 126.8232 22.53416 544.3596       161.4656 640.2574       198.8111 358.5384       276.7475 134.8561 26.08070 95.19669 36.07323 39.65944       44.51382 
1 1 1 -32 11 22 o 81.24964 28.03681 235.8604       162.1660 317.3885       200.0573 79.64982       276.9211 91.31519 31.15261 73.28376 32.47483 18.03143       45.00110 
1 1 1 -32 11 23 o 77.93996 27.90891 214.4796       161.7418 156.4620       200.0306 324.0509       274.8940 73.07510 29.73396 90.57215 35.51443 -17.49705      46.31828 
1 1 1 -32 11 24 o 45.47310 21.59911 -134.8118      156.1302 -128.3372      199.8558 -144.9513      250.1032 52.52848 24.79757 58.00715 27.48976 -5.478668      37.02170 
1 1 1 -32 11 25 o 127.5037 22.07167 558.7955       159.0737 609.0308       202.5301 477.9007       257.0069 127.8805 27.79926 104.8164 35.31354 23.06410       44.94268 
1 1 1 -32 11 26 o 78.63580 27.29538 228.1301       153.7978 194.1629       197.4272 280.5617       245.2869 75.33596 29.92306 84.55721 33.42724 -9.221252      44.86391 
1 1 1 -32 11 27 o 99.18883 26.96106 372.5942       160.9132 529.4468       205.5872 124.5404       258.5371 115.7366 30.03250 72.40652 31.75898 43.33008       43.71022 
1 1 1 -32 11 28 o 44.34335 21.07484 -123.0770      149.0760 -164.4189      185.1486 -46.87089      251.3739 47.87255 22.95215 61.42334 28.61303 -13.55080      36.68115 
1 1 1 -32 11 29 o 54.97851 25.76981 -80.80888      209.1438 -35.74070      401.7328 -97.56506      244.9569 71.83716 34.26921 58.06528 27.42407 13.77188       43.89144 
1 1 1 -32 11 30 o 111.7270 23.62275 451.9582       149.9420 451.9850       187.4310 451.9106       249.8951 106.0059 29.21349 99.04291 34.76530 6.962990       45.40984 
1 1 1 -32 11 31 f 119.8000 20.92623 500.5273       141.6796 454.7836       177.6413 580.4882       234.8644 107.1233 27.97629 114.8991 33.07275 -7.775787      43.31834 
1 1 1 -32 12 1  o 95.97988 34.54336 306.0504       248.1293 495.5204       282.4889 -333.7821      519.1158 116.4537 36.88940 81.96376 39.05968 34.48997       53.72602 
1 1 1 -32 12 2  o 200.5683 20.00585 1262.855       232.1902 1270.790       298.8015 1250.761       368.9003 196.4506 26.61879 188.0646 34.72549 8.386017       43.75408 
1 1 1 -32 12 3  o 214.8348 17.67938 1427.709       220.7829 1328.780       281.4337 1586.025       356.0226 202.7871 24.13696 217.9408 28.53909 -15.15369      37.37743 
1 1 1 -32 12 4  o 331.0907 13.94246 3318.734       270.1243 3237.243       364.8282 3417.619       401.8810 322.3221 19.38922 329.6573 20.89415 -7.335236      28.50451 
1 1 1 -32 12 5  o 264.3709 15.47681 2134.672       238.9143 2140.925       318.2390 2126.597       361.6628 260.4607 21.01162 256.5587 24.32688 3.901947       32.14475 
1 1 1 -32 12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 12 7  o 139.5432 24.60065 641.3921       193.9745 807.3152       241.7140 341.2397       325.1017 154.8398 27.63135 100.8121 38.87465 54.02769       47.69413 
1 1 1 -32 12 8  f 85.92423 29.33278 243.6547       177.3720 278.8955       213.6694 165.5426       318.1107 91.25418 32.13748 86.89799 36.60755 4.356186       48.71273 
1 1 1 -32 12 9  o 91.73189 29.37440 287.8460       178.7234 408.1037       212.4193 -3.602837      330.6883 107.1036 31.63230 77.51326 34.83718 29.59035       47.05562 
1 1 1 -32 12 10 o 77.50277 28.68925 181.0432       172.9317 114.9706       204.2068 348.5650       325.1586 73.12875 29.93381 100.5100 38.84608 -27.38127      49.04132 
1 1 1 -32 12 11 o 77.07564 28.39175 180.7273       169.0053 233.7669       199.2670 44.78982       319.0103 84.98607 30.90493 78.68948 34.86366 6.296593       46.58958 
1 1 1 -32 12 12 o 40.15220 19.67172 -272.1090      156.5303 -186.7036      183.0902 -504.0955      301.7543 48.81887 23.24551 54.32942 26.75568 -5.510551      35.44320 
1 1 1 -32 12 13 o 93.98085 28.01151 307.1758       165.9639 261.0551       197.0429 419.7768       307.8817 87.74557 30.86510 105.4643 38.40567 -17.71875      49.27119 
1 1 1 -32 12 14 o 142.5908 21.94287 664.2378       177.6252 639.7073       216.2911 715.0517       311.2985 135.6226 28.11682 134.9783 37.81969 0.6443481      47.12626 
1 1 1 -32 12 15 o 74.75599 28.84002 162.1271       178.9856 239.3423       227.6843 37.22206       289.5821 85.64453 32.65688 74.43011 33.08324 11.21442       46.48627 
1 1 1 -32 12 16 o 258.6368 13.77683 2048.318       208.2191 2079.464       282.0270 2010.998       308.7113 255.8824 18.92715 249.0725 21.33915 6.809906       28.52361 
1 1 1 -32 12 17 o 200.8771 16.43519 1263.974       191.9313 1001.990       250.2272 1638.387       299.1384 171.1613 25.72228 222.0329 23.31993 -50.87160      34.71966 
1 1 1 -32 12 18 o 117.8460 25.94164 486.0391       174.4267 293.5132       221.3122 801.7338       283.3965 89.75637 32.57981 144.3882 34.02771 -54.63184      47.10976 
1 1 1 -32 12 19 o 72.79855 27.89600 162.3833       166.6752 11.45827       210.5963 415.4154       272.6829 63.40991 28.19725 101.6434 36.25566 -38.23351      45.92992 
1 1 1 -32 12 20 o 82.15345 27.83066 239.1188       159.6324 256.9516       192.6783 200.0868       285.0577 84.61778 30.44162 82.53056 34.70396 2.087227       46.16337 
1 1 1 -32 12 21 o 123.9752 23.44031 527.8234       164.1887 638.4632       203.1781 319.5889       278.7388 133.7267 26.84028 91.26708 35.76935 42.45963       44.71965 
1 1 1 -32 12 22 o 98.81160 27.23996 359.1921       162.9319 281.5461       201.4200 506.1805       277.1308 86.58553 31.12766 108.5722 36.67007 -21.98671      48.10016 
1 1 1 -32 12 23 o 65.87457 26.43620 119.2391       155.6977 147.4327       196.5172 71.70129       255.1792 71.75226 29.36694 70.25900 31.15211 1.493263       42.81205 
1 1 1 -32 12 24 o 47.23316 22.21445 -107.2508      157.7071 16.51100       198.2565 -320.5056      260.2457 60.88232 27.19726 52.36873 25.59505 8.513588       37.34698 
1 1 1 -32 12 25 o 90.14280 27.11308 306.3957       154.9546 233.0515       194.6219 433.3945       256.0995 79.50824 30.22243 99.60414 35.17477 -20.09590      46.37521 
1 1 1 -32 12 26 o 55.56694 24.43677 22.95862       153.9814 4.056877       190.5416 58.53909       261.4236 58.60852 26.38362 68.66957 30.90905 -10.06105      40.63822 
1 1 1 -32 12 27 o 55.80156 24.52863 27.04986       154.9768 -66.19191      195.6645 184.0205       253.8726 54.53402 25.34974 76.00191 32.38861 -21.46790      41.12945 
1 1 1 -32 12 28 o 120.6310 23.39814 520.1855       159.5611 549.0171       197.9587 466.7148       269.5872 118.4155 28.78816 99.79299 35.99435 18.62252       46.09068 
1 1 1 -32 12 29 o 188.3217 15.43004 1137.362       168.9260 1132.524       219.5877 1144.375       264.4000 181.5775 21.00735 175.4336 26.52527 6.143936       33.83635 
1 1 1 -32 12 30 o 103.4026 25.70061 404.3862       155.1807 601.1329       204.9307 139.9302       237.5910 123.3703 28.84268 70.74166 30.74707 52.62868       42.15783 
1 1 1 -32 13 1  o 206.7315 19.74497 1341.935       236.4892 1467.253       311.0074 1170.148       364.1333 211.7219 25.56381 180.3037 35.69898 31.41826       43.90815 
1 1 1 -32 13 2  o 138.1470 26.67205 638.9592       208.2711 654.5449       256.9229 609.0880       355.6850 135.8362 32.65501 125.0941 41.53304 10.74219       52.83316 
1 1 1 -32 13 3  o 127.0488 28.10993 550.1954       203.8975 505.7476       246.8042 645.7515       361.8736 118.3987 33.84731 128.2198 41.86046 -9.821129      53.83251 
1 1 1 -32 13 4  o 228.3113 16.91555 1608.406       224.8889 1662.769       284.7172 1518.229       366.7000 228.7695 21.47195 210.6310 30.57786 18.13852       37.36376 
1 1 1 -32 13 5  o 245.5631 17.77454 1870.072       254.2509 1981.979       291.6271 1515.510       519.0933 251.0748 19.96938 192.4431 46.51345 58.63173       50.61895 
1 1 1 -32 13 6  o 92.73370 30.28726 294.0773       189.4296 269.7959       235.3334 338.7638       319.2522 90.92036 33.50103 100.1334 38.54681 -9.213043      51.07030 
1 1 1 -32 13 7  o 77.60027 29.61484 171.8984       187.3441 190.7559       232.2481 136.7705       316.9832 82.72466 32.58119 84.67341 36.14080 -1.948746      48.65893 
1 1 1 -32 13 8  o 82.02749 38.54241 -173.4488      472.7860 0.000000       0.000000 -173.4488      472.7860 ?        ?        82.02749 38.54241 0.000000       38.54241 
1 1 1 -32 13 9  o 249.0792 14.87657 1897.873       216.3255 1985.698       274.5385 1754.042       351.3341 251.8023 18.72461 229.3934 26.60792 22.40892       32.53601 
1 1 1 -32 13 10 o 72.44438 29.08557 125.4604       188.5565 122.8501       235.5062 130.1218       314.7112 76.53917 31.81661 83.48657 35.83076 -6.947403      47.91806 
1 1 1 -32 13 11 o 221.6801 16.39318 1521.024       211.6199 1434.535       271.2261 1655.601       338.3281 210.6755 22.28926 222.4281 26.45330 -11.75266      34.59174 
1 1 1 -32 13 12 o 57.83866 25.11979 13.36962       158.3320 -14.51128      186.5813 85.10381       299.2800 59.77007 26.56199 78.87390 34.39196 -19.10384      43.45510 
1 1 1 -32 13 13 o 249.8553 13.49230 1902.854       196.9749 1958.660       251.8794 1814.995       316.0436 250.5320 17.24795 235.5518 23.17746 14.98015       28.89093 
1 1 1 -32 13 14 o 151.1682 20.03000 735.6044       173.2133 934.5900       214.8226 365.8431       292.8397 168.9935 22.21226 99.25981 37.21721 69.73370       43.34172 
1 1 1 -32 13 15 o 196.9830 16.39034 1211.610       187.6367 1274.315       239.9155 1112.842       301.1056 198.3534 20.93942 176.8812 30.10329 21.47224       36.66971 
1 1 1 -32 13 16 o 74.68427 27.88686 175.0481       164.0660 291.7770       204.6231 -35.08191      274.5425 89.97591 31.46812 68.08086 31.05124 21.89505       44.20885 
1 1 1 -32 13 17 o 239.3435 14.73260 1773.027       205.7982 1752.677       279.8035 1797.010       303.7549 232.0861 20.77624 233.0748 22.50113 -0.9886780     30.62602 
1 1 1 -32 13 18 o 200.8361 15.88011 1262.860       185.5236 864.3380       235.4101 1916.072       301.3880 157.5039 26.41956 241.5327 21.50098 -84.02879      34.06296 
1 1 1 -32 13 19 o 173.0608 18.42344 962.3324       184.1197 816.7631       236.0980 1188.263       294.1335 151.5867 27.57251 182.4155 28.41922 -30.82886      39.59666 
1 1 1 -32 13 20 o 105.1282 27.22436 401.5448       169.1688 343.5585       217.2297 490.9038       269.6656 94.30496 32.45334 108.5207 36.16751 -14.21577      48.59329 
1 1 1 -32 13 21 o 48.01422 22.61334 -119.6721      164.4380 -239.5698      204.3586 100.5352       276.9512 48.46788 23.45564 74.39625 32.74300 -25.92837      40.27743 
1 1 1 -32 13 22 o 78.29730 27.72607 218.1141       159.2079 369.2401       196.3833 -71.66146      271.9355 97.33565 30.74811 63.97208 29.78687 33.36356       42.81009 
1 1 1 -32 13 23 o 73.62222 27.35889 185.0267       157.5460 275.3474       199.3884 34.92088       257.0426 85.05566 30.91668 67.90465 30.59947 17.15102       43.49907 
1 1 1 -32 13 24 o 61.15092 25.74677 77.06499       157.2166 -96.77285      198.8014 367.2893       256.8705 53.75771 25.17410 93.13954 34.87025 -39.38183      43.00778 
1 1 1 -32 13 25 o 68.01835 26.56309 145.8948       153.2685 167.1387       188.9055 104.9696       262.1942 72.25634 29.07685 71.73291 31.70257 0.5234299      43.01763 
1 1 1 -32 13 26 o 90.90858 27.13160 314.8198       155.6212 317.5120       191.2381 309.5422       267.7557 89.00576 30.45592 86.62412 34.70050 2.381638       46.17020 
1 1 1 -32 13 27 o 127.9843 22.40104 574.0266       162.0197 498.3724       206.4627 695.2952       261.3964 110.6027 30.73036 126.9257 34.30511 -16.32294      46.05643 
1 1 1 -32 13 28 o 50.91410 23.13484 -23.14630      150.6139 23.57975       191.2725 -99.39909      244.3435 59.32481 26.59197 57.94201 27.37304 1.382805       38.16302 
1 1 1 -32 13 29 o 100.1233 26.28961 382.6255       156.3146 457.2556       197.9399 258.9623       254.7982 105.3443 30.37397 80.67168 33.27318 24.67266       45.05200 
1 1 1 -32 13 30 o 168.8151 31.51211 1164.791       300.5174 1313.026       428.1068 1020.789       421.9517 153.2427 44.81216 128.7020 45.17511 24.54070       63.63113 
1 1 1 -32 14 1  o 110.5638 30.63654 429.9204       205.5092 630.7396       253.6010 45.78857       350.7426 132.8283 32.76177 82.18101 36.47573 50.64730       49.02869 
1 1 1 -32 14 2  o 58.03833 26.32144 -62.27589      193.8187 -66.99036      230.1991 -50.79507      359.2310 62.94007 28.60009 77.98525 35.54950 -15.04518      45.62600 
1 1 1 -32 14 3  o 161.4250 22.71312 843.0164       209.0912 893.7231       256.9485 743.6209       359.7465 162.5933 27.95334 137.0935 41.32900 25.49983       49.89464 
1 1 1 -32 14 4  o 130.5493 26.88558 576.6603       198.9889 365.0516       236.3498 1091.826       368.7753 101.3526 33.86150 171.0003 37.78016 -69.64775      50.73402 
1 1 1 -32 14 5  o 276.5406 14.45723 2330.099       233.6597 2122.123       292.1927 2699.004       389.1534 260.1028 19.29198 289.4887 23.11309 -29.38593      30.10640 
1 1 1 -32 14 6  o 176.5175 19.90438 987.3280       202.4679 1056.584       253.0459 864.1003       337.5391 179.2157 24.73417 150.6861 38.16063 28.52959       45.47541 
1 1 1 -32 14 7  o 175.1049 20.33822 975.7471       204.9818 953.4758       262.4054 1010.614       328.3254 167.8307 27.61934 166.6693 34.71785 1.161377       44.36391 
1 1 1 -32 14 8  o 191.6734 18.96715 1156.939       210.4207 1372.257       278.0030 868.1188       321.9758 205.2614 23.51777 152.1667 36.54035 53.09470       43.45438 
1 1 1 -32 14 9  o 74.13557 29.57066 138.4278       193.5984 276.6811       246.6891 -83.25118      312.3738 91.20348 34.16669 71.14448 32.69948 20.05901       47.29290 
1 1 1 -32 14 10 f 152.0678 21.55518 748.6859       186.8571 656.5773       233.3005 913.4957       312.0739 136.4767 29.97001 157.3187 34.75235 -20.84198      45.89038 
1 1 1 -32 14 11 o 122.3456 25.45766 508.0239       176.7124 574.5707       212.8529 360.4234       317.0003 127.8036 29.05772 99.93614 38.42625 27.86749       48.17601 
1 1 1 -32 14 12 o 165.0574 19.23750 867.9988       182.7366 980.6669       223.9108 643.2955       316.2127 173.0616 22.60038 126.5611 38.86874 46.50048       44.96172 
1 1 1 -32 14 13 o 69.93580 27.43716 130.4743       164.1453 189.4776       198.2798 1.968843       292.6181 78.92296 30.37906 72.59156 32.68548 6.331398       44.62318 
1 1 1 -32 14 14 o 74.93616 28.41413 170.9377       171.7708 170.9912       218.3323 170.8507       278.2683 78.00620 31.30506 81.89965 34.35394 -3.893456      46.47795 
1 1 1 -32 14 15 o 95.89583 27.27816 327.2046       160.6938 364.9622       196.6892 251.4129       278.6695 99.40203 30.67782 87.67202 35.30339 11.73001       46.77027 
1 1 1 -32 14 16 o 143.3893 20.35911 671.6117       166.4018 825.2754       209.3590 408.0155       274.2051 156.6535 23.51287 101.4846 36.33883 55.16885       43.28239 
1 1 1 -32 14 17 o 178.4119 16.78628 1005.020       173.5784 973.2264       219.4220 1058.189       283.7527 170.9819 22.42135 171.7187 29.22117 -0.7368011     36.83196 
1 1 1 -32 14 18 o 151.7430 20.73091 757.9572       179.6729 716.5984       232.4642 819.3234       283.1633 140.3307 29.19753 145.3989 33.84312 -5.068268      44.69735 
1 1 1 -32 14 19 o 108.9468 26.45263 425.4453       167.3038 475.5865       207.8997 333.3033       281.8287 111.7914 30.75138 92.77532 36.08024 19.01611       47.40707 
1 1 1 -32 14 20 o 58.03060 25.51280 18.24175       167.7283 -60.01120      209.3753 158.4166       280.2271 58.06383 26.71790 78.54288 33.76143 -20.47905      43.05439 
1 1 1 -32 14 21 o 56.12616 25.04251 -2.371813      167.5567 -17.32221      211.0117 23.14296       275.6615 60.55778 27.46407 69.31754 31.41841 -8.759762      41.72998 
1 1 1 -32 14 22 o 130.0451 21.86690 575.9285       160.8631 555.4752       201.0328 612.3362       268.2145 121.6819 28.64810 120.0140 35.57022 1.667862       45.67225 
1 1 1 -32 14 23 o 54.63163 24.26896 5.226770       155.6043 55.35355       194.2501 -84.54169      259.9490 63.18933 27.62711 61.53402 28.80622 1.655312       39.91310 
1 1 1 -32 14 24 o 42.53571 20.51068 -175.7785      152.8315 -255.9758      192.8167 -40.24331      250.6632 45.48870 22.18860 62.51970 28.93365 -17.03101      36.46217 
1 1 1 -32 14 25 o 54.37152 23.96473 17.17893       148.8637 -173.4146      180.1118 428.0438       264.4464 46.98560 22.55601 97.98360 35.60664 -50.99801      42.14981 
1 1 1 -32 14 26 o 48.90060 22.52830 -52.19907      149.4854 49.19120       186.8450 -232.5116      249.1703 61.13788 26.90146 53.36040 25.84168 7.777481       37.30256 
1 1 1 -32 14 27 o 78.81953 27.64455 237.0031       157.9890 346.3694       201.6449 63.12945       254.2509 91.06769 31.27014 67.43011 30.40502 23.63757       43.61521 
1 1 1 -32 14 28 o 57.38033 24.87402 50.37803       154.6532 -33.94864      205.2222 161.2051       235.2690 57.06821 26.32881 72.60278 31.06609 -15.53457      40.72233 
1 1 1 -32 14 29 o 113.4644 25.34631 480.7794       164.4050 647.4183       222.7277 281.2947       243.6917 126.1487 30.45399 82.13625 33.03479 44.01247       44.93042 
1 1 1 -32 15 1  f 74.01579 29.49611 134.5552       192.4507 288.7073       233.6736 -190.4675      339.3061 92.65101 33.49873 69.66251 32.70688 22.98850       46.81778 
1 1 1 -32 15 2  o 132.8173 26.14053 593.3141       196.3660 735.2534       239.3258 300.9031       343.5067 146.2398 28.92940 97.55511 39.22629 48.68468       48.74025 
1 1 1 -32 15 3  o 171.9182 20.10644 938.3812       198.9007 963.8559       246.6643 891.0253       336.3088 170.5594 25.43578 153.6427 37.62756 16.91670       45.41819 
1 1 1 -32 15 4  o 178.0856 19.84198 1004.895       203.7200 1169.367       245.8734 644.7267       363.8468 190.3315 22.45874 126.4470 42.00763 63.88448       47.63439 
1 1 1 -32 15 5  o 174.7590 20.13349 970.8930       202.5852 846.5041       244.3180 1244.613       362.4248 158.1204 27.33469 185.4797 34.58949 -27.35930      44.08649 
1 1 1 -32 15 6  o 136.0220 24.97553 617.5438       191.8991 521.6918       229.7697 838.5854       348.9227 120.2472 32.01509 146.2299 39.68207 -25.98280      50.98660 
1 1 1 -32 15 7  o 223.6478 16.35950 1547.090       213.0936 1653.994       266.5184 1357.636       354.7982 228.3241 20.10854 196.0757 31.95301 32.24834       37.75379 
1 1 1 -32 15 8  o 172.6872 18.66722 941.1561       186.0544 1138.243       226.8224 535.8356       325.2790 188.4631 20.87088 116.3694 39.72278 72.09370       44.87196 
1 1 1 -32 15 9  o 234.9430 14.73544 1693.334       202.0149 1700.496       260.4691 1682.522       320.0247 231.8230 19.33382 225.6643 24.57744 6.158752       31.27055 
1 1 1 -32 15 10 o 136.4925 22.81310 614.5966       176.1778 596.7727       212.7218 653.5234       314.3665 130.4777 28.59039 128.0095 38.64407 2.468216       48.07052 
1 1 1 -32 15 11 o 92.18179 28.93945 299.7016       174.2173 363.7086       213.9046 173.5794       300.2631 99.71193 32.15550 84.14282 35.51273 15.56911       47.90752 
1 1 1 -32 15 12 o 66.01595 27.73430 74.97618       181.7981 -2.421045      229.3869 205.7024       298.1173 65.59726 29.28244 85.91191 35.76178 -20.31465      46.22085 
1 1 1 -32 15 13 o 65.82909 26.53487 102.0281       157.6061 116.9345       189.5015 68.58358       283.8503 70.49081 28.84284 75.20483 33.12174 -4.714012      43.91992 
1 1 1 -32 15 14 o 194.0110 15.66961 1173.054       176.7776 1163.841       221.0338 1189.406       294.4830 189.6612 20.18098 184.1240 28.16476 5.537201       34.64860 
1 1 1 -32 15 15 o 80.43352 27.42567 223.0040       155.0493 291.7886       184.3849 56.93822       286.4969 89.73427 29.90670 74.05667 32.91252 15.67760       44.47072 
1 1 1 -32 15 16 o 220.9099 14.68929 1512.585       189.2310 1518.903       249.6243 1504.049       290.1511 216.6544 19.86671 211.4075 23.81594 5.246887       31.01427 
1 1 1 -32 15 17 o 90.28249 27.28049 293.6035       156.6138 187.1509       191.9137 505.8325       270.9756 76.83971 29.80391 110.9419 36.22377 -34.10222      46.90879 
1 1 1 -32 15 18 o 79.46976 27.51158 221.0882       156.1972 165.2653       193.8406 324.4488       263.7643 74.34528 29.61067 91.94707 35.12752 -17.60179      45.94273 
1 1 1 -32 15 19 o 186.7593 17.27134 1113.367       187.0304 1138.110       243.7377 1077.936       291.6714 183.1230 23.21596 170.5854 30.26237 12.53763       38.14173 
1 1 1 -32 15 20 o 85.79926 27.82764 270.9807       160.0593 411.1310       197.7073 4.409584       272.6668 103.0616 30.53745 68.10188 31.01608 34.95975       43.52624 
1 1 1 -32 15 21 o 84.76545 28.54430 267.8183       167.9200 280.5729       213.2040 246.9801       272.5163 85.81269 31.83851 83.62221 34.44230 2.190483       46.90376 
1 1 1 -32 15 22 o 60.30254 26.19780 47.55415       172.3212 60.54086       223.3481 28.45368       270.8663 66.40942 29.30885 68.44774 31.07162 -2.038322      42.71363 
1 1 1 -32 15 23 o 132.6005 20.69348 594.5695       155.6739 694.7620       191.4522 399.0636       267.4378 140.3421 24.13037 95.69669 35.62953 44.64540       43.03183 
1 1 1 -32 15 24 o 51.06649 23.34050 -39.60894      156.1902 66.58805       192.5530 -243.9039      267.0687 63.49297 27.63721 55.32621 26.78412 8.166752       38.48642 
1 1 1 -32 15 25 o 87.33552 26.51896 288.5069       147.7411 257.9564       180.4274 350.6738       257.3789 81.70998 29.44996 90.15071 34.63464 -8.440735      45.46272 
1 1 1 -32 15 26 o 68.85244 26.45832 160.0546       150.2264 325.1118       187.0281 -140.0693      252.1970 89.42368 30.12466 57.13639 27.22731 32.28730       40.60568 
1 1 1 -32 15 27 o 48.84179 22.75683 -72.03754      159.1375 -216.8261      199.4506 181.6141       263.9897 47.44320 23.01009 75.39692 32.59126 -27.95372      39.89554 
1 1 1 -32 15 28 o 38.18566 18.82781 -258.1920      150.9341 -291.5424      188.1794 -198.0390      252.7265 42.91428 21.13304 54.52117 26.31127 -11.60689      33.74742 
1 1 1 -32 16 1  o 82.89018 29.84370 221.3977       185.2262 71.14576       223.3936 551.9293       331.3349 71.18891 30.36127 118.3679 40.09561 -47.17896      50.29378 
1 1 1 -32 16 2  o 78.97130 29.00669 193.1266       176.1982 176.8308       208.9174 233.2764       327.9282 79.29243 30.99911 91.30343 37.71150 -12.01099      48.81703 
1 1 1 -32 16 3  o 204.1179 31.30775 1459.444       362.8446 0.000000       0.000000 1459.444       362.8446 ?        ?        204.1179 31.30775 0.000000       31.30775 
1 1 1 -32 16 4  o 121.0647 26.70002 501.4460       184.4725 378.9143       221.0878 782.2438       334.6859 102.3973 32.65825 141.2234 39.08349 -38.82612      50.93211 
1 1 1 -32 16 5  o 221.9148 16.35814 1524.753       211.4012 1681.046       264.5387 1248.568       351.6578 230.3200 19.77549 186.1331 33.44330 44.18697       38.85260 
1 1 1 -32 16 6  o 222.1979 28.78943 1694.445       366.3553 0.000000       0.000000 1694.445       366.3553 ?        ?        222.1979 28.78943 0.000000       28.78943 
1 1 1 -32 16 7  o 282.2507 13.49264 2425.212       222.7015 2311.471       275.9092 2637.845       377.2430 272.2843 17.36853 285.0261 22.75649 -12.74176      28.62733 
1 1 1 -32 16 8  o 108.9325 25.94647 408.0883       163.3829 460.9227       189.1925 253.1008       324.0365 114.4205 28.34193 91.41521 37.59470 23.00528       47.08106 
1 1 1 -32 16 9  o 47.37502 22.17550 -115.1940      153.9809 -123.3966      176.1408 -88.60871      317.1068 50.75426 23.74439 70.53734 32.60861 -19.78307      40.33755 
1 1 1 -32 16 10 o 84.29877 29.45563 242.5414       179.2628 336.4164       222.9007 70.64656       301.6255 95.98264 32.87957 77.28149 34.08541 18.70116       47.35907 
1 1 1 -32 16 11 o 110.0206 26.25335 421.8930       167.0309 509.4800       207.0774 258.7867       282.5845 118.6009 29.80934 89.01540 35.65184 29.58546       46.47203 
1 1 1 -32 16 12 o 98.16338 27.49842 343.1547       164.5915 409.4025       202.4873 214.1412       282.5724 105.1520 30.83830 85.03154 35.05240 20.12047       46.68695 
1 1 1 -32 16 13 o 68.65390 27.19937 125.4945       162.7285 343.9771       199.2579 -312.0358      281.9755 96.38251 31.03088 56.79322 27.50081 39.58929       41.46336 
1 1 1 -32 16 14 o 65.51575 26.84758 95.87232       164.5002 -50.48322      205.4417 357.3567       274.6039 58.90168 26.86317 96.44611 36.06491 -37.54443      44.97007 
1 1 1 -32 16 15 o 83.49634 26.75910 245.3254       148.2931 366.1450       176.1555 -48.58459      274.7481 100.1210 28.58674 66.84780 30.70345 33.27324       41.95121 
1 1 1 -32 16 16 o 210.2270 14.94541 1375.652       183.0651 1602.588       231.5724 997.5235       298.9199 224.3799 17.74184 162.5551 32.49158 61.82487       37.01994 
1 1 1 -32 16 17 o 200.2187 15.67311 1257.959       182.5735 1101.553       238.9631 1477.289       282.9771 180.6596 23.08016 208.9564 23.49793 -28.29686      32.93701 
1 1 1 -32 16 18 o 205.3477 14.74315 1315.739       176.3724 1379.897       229.0751 1222.339       276.3917 206.1532 19.16639 186.8547 25.91843 19.29848       32.23532 
1 1 1 -32 16 19 o 207.2625 14.77514 1343.793       178.4207 1246.342       233.5666 1480.341       276.4761 193.7143 20.88869 208.7883 22.95714 -15.07397      31.03817 
1 1 1 -32 16 20 o 119.6479 24.80560 507.2782       168.3434 693.9265       213.3216 199.1501       274.0870 138.0532 27.31496 80.12208 33.87830 57.93111       43.51834 
1 1 1 -32 16 21 o 82.04576 28.31350 249.8247       165.3837 309.2376       212.5016 158.5565       263.3793 88.57225 31.95569 76.18232 32.73855 12.38993       45.74908 
1 1 1 -32 16 22 o 52.19869 23.89246 -43.24252      164.4456 -46.42725      206.5742 -37.73262      271.7133 57.55387 26.50331 64.74958 30.02071 -7.195713      40.04583 
1 1 1 -32 16 23 o 40.93758 19.92372 -210.0782      153.0366 -309.4215      188.4398 -17.62492      262.2805 42.82518 21.10044 64.68151 29.81378 -21.85633      36.52520 
1 1 1 -32 16 24 o 134.1650 22.79204 629.3060       172.9288 540.3095       217.8498 780.9157       284.3377 115.3323 31.37923 134.1497 35.56754 -18.81738      47.43107 
1 1 1 -32 16 25 o 54.73183 23.81428 33.99501       142.8490 -49.12452      170.3338 231.0405       262.2602 52.09991 24.01871 79.48019 33.34589 -27.38029      41.09558 
1 1 1 -32 16 26 o 69.87029 26.85486 167.8955       154.7846 144.0678       184.6470 224.2155       283.8783 68.74911 28.33715 79.10727 33.99202 -10.35816      44.25439 
1 1 1 -32 16 27 o 62.05871 25.83387 98.62769       155.5815 -63.64561      194.6385 385.7873       258.9208 54.10982 25.19664 91.99723 34.88489 -37.88741      43.03285 
1 1 1 -32 16 28 o 103.4689 26.07507 408.8545       158.1447 467.0652       195.0379 297.1254       270.2097 106.4906 29.97063 83.14908 34.27679 23.34149       45.53171 
1 1 1 -32 17 1  o 58.76728 25.85029 -0.5808622     172.4041 12.00213       204.5580 -31.43737      320.3302 64.14151 28.18801 74.13575 33.70710 -9.994240      43.94010 
1 1 1 -32 17 2  o 146.9219 20.86291 696.7484       174.7196 831.1733       209.3746 388.4590       317.0761 159.1012 23.11457 102.4554 38.65973 56.64583       45.04285 
1 1 1 -32 17 3  o 123.9474 26.12235 524.6104       183.8914 572.3887       223.1606 423.5332       324.5851 126.5323 30.44375 105.4425 39.25327 21.08980       49.67535 
1 1 1 -32 17 4  o 229.4143 40.12023 2049.639       520.1560 0.000000       0.000000 2049.639       520.1560 ?        ?        229.4143 40.12023 0.000000       40.12023 
1 1 1 -32 17 5  o 206.4693 16.60721 1326.863       199.4007 1233.418       243.8724 1515.338       346.3473 195.1598 21.67196 209.2100 29.00734 -14.05020      36.20911 
1 1 1 -32 17 6  o 90.40977 28.82004 286.3370       172.1920 284.8422       184.0705 296.8105       487.2284 90.11804 29.87670 99.80585 43.69246 -9.687805      52.93059 
1 1 1 -32 17 7  o 48.43918 22.51928 -99.17768      154.4805 -127.6962      175.1933 0.4891795      327.5136 50.30658 23.58178 75.72073 34.29088 -25.41415      41.61688 
1 1 1 -32 17 8  o 232.2344 27.24642 1846.771       364.0470 0.000000       0.000000 1846.771       364.0470 ?        ?        232.2344 27.24642 0.000000       27.24642 
1 1 1 -32 17 9  o 43.60942 21.12867 -228.9214      167.0384 -283.8176      194.3993 -74.03577      326.5347 45.93816 22.37936 71.53070 33.07558 -25.59254      39.93532 
1 1 1 -32 17 10 o 127.3421 22.73302 541.7289       163.5477 594.8890       193.5731 409.1204       305.7297 131.1544 26.08428 102.0166 38.07285 29.13772       46.15117 
1 1 1 -32 17 11 o 138.8776 21.49792 635.8696       169.4447 800.7559       206.9576 300.5893       295.1161 154.4697 23.59184 92.17600 36.59344 62.29366       43.53912 
1 1 1 -32 17 12 o 76.83280 27.34113 196.3594       154.9862 251.6558       184.8291 65.38124       284.4600 84.68810 29.88439 74.50727 32.97058 10.18082       44.49872 
1 1 1 -32 17 13 f 117.8914 25.11841 481.8278       168.3515 263.1894       208.3183 893.4520       285.8345 86.20205 31.56005 154.2647 32.61486 -68.06268      45.38464 
1 1 1 -32 17 14 o 50.28692 22.80058 -42.16751      145.3291 83.30909       171.9519 -355.9084      271.9012 64.85577 27.09093 53.78962 26.26192 11.06615       37.73071 
1 1 1 -32 17 15 o 85.88498 27.27552 264.2826       154.3494 421.2636       187.7714 -62.79033      271.0368 106.6058 29.18499 65.38705 30.19908 41.21870       41.99700 
1 1 1 -32 17 16 o 139.2419 22.21223 652.2635       175.2993 676.5032       222.5759 612.6635       284.4865 136.1677 28.77346 120.9015 36.81694 15.26614       46.72686 
1 1 1 -32 17 17 o 98.92947 25.95340 352.2501       152.4288 363.3584       189.7880 332.0626       255.8504 97.64159 30.13488 92.02868 34.72682 5.612915       45.97894 
1 1 1 -32 17 18 o 228.2976 14.33702 1623.559       190.9909 1577.350       260.4349 1677.328       280.9320 218.4324 20.57197 223.9444 21.66005 -5.511978      29.87246 
1 1 1 -32 17 19 o 145.6710 19.81556 702.4971       164.9046 648.5127       204.7490 802.1686       278.2104 133.6098 27.05850 140.9928 34.03570 -7.382996      43.48093 
1 1 1 -32 17 20 o 71.13228 26.84906 167.5140       152.9617 187.2525       188.3179 129.2401       262.2325 74.93388 29.39101 74.11381 32.25643 0.8200760      43.63839 
1 1 1 -32 17 21 o 54.34230 24.04303 10.01382       151.2029 55.76476       184.8010 -82.63965      262.9875 62.15718 27.06521 61.81079 28.94814 0.3463936      39.62979 
1 1 1 -32 17 22 o 69.02314 27.32042 148.6607       164.0392 212.7579       206.7412 39.72507       269.5208 77.57047 30.68124 68.43545 31.03763 9.135025       43.64256 
1 1 1 -32 17 23 o 58.52617 25.63521 38.80767       167.9260 304.2589       217.0388 -357.1096      265.0619 86.68369 32.13066 51.25926 25.21090 35.42443       40.84077 
1 1 1 -32 17 24 o 62.31433 26.34728 87.71461       165.7606 19.50364       208.5387 204.7660       273.1793 61.15451 27.55931 78.01144 33.43005 -16.85692      43.32532 
1 1 1 -32 17 25 o 53.96852 24.31865 -5.027545      162.3348 -1.613865      202.7734 -11.12051      270.9031 58.97818 26.81648 64.73402 30.00046 -5.755840      40.23868 
1 1 1 -32 17 26 o 46.82739 23.15213 -364.3524      233.7576 -891.8540      430.7996 -144.2302      278.2886 54.73444 27.66772 59.32606 28.36151 -4.591621      39.62169 
1 1 1 -32 17 27 o 67.65485 26.82274 151.5091       158.3592 175.7468       198.8332 109.4655       261.8744 71.86510 29.49051 70.03577 31.27398 1.829330       42.98549 
1 1 1 -32 18 1  o 114.9479 27.21846 461.3514       180.6372 462.3082       219.6384 459.3517       317.5388 111.9485 31.90651 107.8134 39.04054 4.135033       50.42013 
1 1 1 -32 18 2  o 178.4633 32.43601 1154.722       326.9886 0.000000       0.000000 1154.722       326.9886 ?        ?        178.4633 32.43601 0.000000       32.43601 
1 1 1 -32 18 3  o 253.3698 13.90217 1964.644       205.7882 2043.008       258.8689 1830.092       339.2078 255.4219 17.38471 233.8603 25.12557 21.56158       30.55360 
1 1 1 -32 18 4  o 165.9694 50.87979 1343.846       542.1436 0.000000       0.000000 1343.846       542.1436 ?        ?        165.9694 50.87979 0.000000       50.87979 
1 1 1 -32 18 5  o 181.5195 17.93375 1041.422       188.4252 807.4848       227.2644 1555.866       337.0161 153.6616 26.15436 212.4009 27.71520 -58.73935      38.10752 
1 1 1 -32 18 6  o 133.2793 23.74025 596.6711       178.7618 597.3952       191.4442 591.7430       499.4517 131.9985 25.65436 114.2054 46.78830 17.79305       53.36002 
1 1 1 -32 18 7  o 86.09039 27.68883 259.1256       158.6765 138.2167       180.7231 665.9729       331.5127 71.87367 28.60271 125.9650 39.96968 -54.09135      49.14967 
1 1 1 -32 18 8  o 108.6673 27.33876 418.7388       174.0555 454.6171       203.1634 319.7459       337.4667 111.2221 30.32050 94.97459 38.62964 16.24747       49.10786 
1 1 1 -32 18 9  o 132.1365 23.16155 586.2081       172.9505 638.1854       204.5087 455.6886       324.0727 135.2724 26.72637 105.5789 39.23798 29.69358       47.47544 
1 1 1 -32 18 10 o 163.6143 17.58499 849.5453       166.0929 761.7703       196.8511 1066.451       309.4484 150.9949 22.95085 169.8167 32.25015 -18.82187      39.58300 
1 1 1 -32 18 11 o 205.2662 15.93843 1317.218       190.3703 1505.847       244.2211 1025.116       303.9104 216.3507 19.45506 165.9899 32.38179 50.36073       37.77670 
1 1 1 -32 18 12 o 68.28185 27.13252 124.9136       162.3861 133.6445       196.4217 106.0614       288.6293 72.01617 29.40372 76.96915 33.66352 -4.952972      44.69688 
1 1 1 -32 18 13 o 131.7885 21.87828 580.5143       163.1721 627.0238       196.7251 477.9667       292.1133 133.8388 25.99989 106.9756 37.58448 26.86319       45.70107 
1 1 1 -32 18 14 o 49.41704 22.89867 -82.38760      157.7414 104.4801       193.3179 -454.6782      272.8638 68.63784 28.70166 50.73310 25.07044 17.90474       38.10922 
1 1 1 -32 18 15 o 151.6871 18.03703 740.9071       157.3206 881.3366       196.0549 486.9875       263.6312 163.1417 20.97577 108.4263 35.74755 54.71543       41.44720 
1 1 1 -32 18 16 o 226.0545 22.52560 1719.821       294.6637 0.000000       0.000000 1719.821       294.6637 ?        ?        226.0545 22.52560 0.000000       22.52560 
1 1 1 -32 18 17 o 87.44234 28.19085 283.7874       164.4167 248.3882       207.3105 343.8035       269.9341 82.70685 31.24837 92.40430 35.47730 -9.697449      47.27684 
1 1 1 -32 18 18 o 77.08637 27.60578 210.0509       158.2513 116.4758       197.3270 378.7116       264.9191 68.99524 28.93438 95.29694 35.46510 -26.30170      45.77086 
1 1 1 -32 18 19 o 202.2466 15.80354 1297.827       185.9629 1258.594       242.5283 1353.803       289.6960 192.7761 21.83562 194.8279 26.00230 -2.051804      33.95458 
1 1 1 -32 18 20 o 55.12859 24.35593 13.58049       154.6278 -8.701136      191.1643 55.74829       262.9806 58.13815 26.27583 69.15700 31.07538 -11.01885      40.69519 
1 1 1 -32 18 21 o 226.3187 22.17540 1750.517       290.5617 0.000000       0.000000 1750.517       290.5617 ?        ?        226.3187 22.17540 0.000000       22.17540 
1 1 1 -32 18 22 o 47.85988 22.36248 -85.13162      155.4349 57.20199       191.0801 -363.5398      267.2407 62.48548 27.35808 51.33809 25.26236 11.14738       37.23777 
1 1 1 -32 18 23 o 71.67171 27.78894 176.3474       166.7936 180.7327       210.3609 168.9226       273.7184 73.84612 30.32168 75.67607 32.94558 -1.829948      44.77517 
1 1 1 -32 18 24 o 74.10931 27.92906 199.4876       165.3692 144.8841       213.5983 281.1868       261.2741 70.60827 29.88383 83.26044 33.94334 -12.65218      45.22382 
1 1 1 -32 18 25 o 50.08438 23.34680 -73.08225      167.8108 228.6687       223.8111 -460.5459      253.6138 78.01956 31.55921 46.61107 23.22512 31.40849       39.18405 
1 1 1 -32 18 26 o 46.06996 21.96081 -132.0764      164.3392 -288.0912      206.4017 138.1217       271.6261 45.57930 22.38327 72.45465 32.13221 -26.87535      39.15980 
1 1 1 -32 19 1  o 114.2021 27.00464 457.3641       178.0057 416.7870       212.5245 552.7399       325.8275 105.9414 31.72714 115.4759 39.74574 -9.534462      50.85603 
1 1 1 -32 19 2  o 142.9696 22.58473 677.3302       183.0878 920.7805       222.1855 162.3031       323.1660 166.3684 23.41891 84.05969 36.19578 82.30873       43.11124 
1 1 1 -32 19 3  o 274.4016 22.48684 2467.343       358.7094 0.000000       0.000000 2467.343       358.7094 ?        ?        274.4016 22.48684 0.000000       22.48684 
1 1 1 -32 19 4  o 141.8972 22.12648 665.3840       178.1307 637.8326       211.3991 732.8442       330.7924 134.7571 27.67564 132.8241 39.53612 1.933029       48.26019 
1 1 1 -32 19 5  o 136.0404 22.96989 618.1543       176.7454 451.4085       214.6422 969.3428       311.4999 109.9558 31.60668 160.2022 34.19559 -50.24638      46.56523 
1 1 1 -32 19 6  o 82.19527 27.78260 233.0407       159.0776 234.5902       182.1476 228.0596       326.5786 82.80011 29.62088 88.04676 37.09155 -5.246651      47.46766 
1 1 1 -32 19 7  o 146.2435 20.40182 696.7928       170.2267 540.6632       196.9915 1157.105       338.2449 123.3020 27.89557 175.0897 34.16675 -51.78767      44.10816 
1 1 1 -32 19 8  o 84.48055 28.44846 250.6446       166.7944 238.4080       191.0099 289.9348       342.2695 83.25393 30.26037 92.44053 38.38550 -9.186600      48.87880 
1 1 1 -32 19 9  o 186.8279 16.88173 1100.546       182.9795 1209.703       218.0142 840.3990       336.5654 193.7825 19.44566 141.8893 39.16429 51.89322       43.72614 
1 1 1 -32 19 10 o 123.8812 22.16501 514.1937       155.1237 559.9437       176.9117 362.0182       322.6514 127.6868 24.51541 96.68517 38.30124 31.00166       45.47516 
1 1 1 -32 19 11 o 49.65163 22.93809 -77.52733      156.5303 -139.7933      185.0124 79.30298       293.6232 50.59009 23.87534 75.44680 33.43625 -24.85671      41.08546 
1 1 1 -32 19 12 o 74.50591 27.03905 183.7548       152.4274 242.3474       179.2140 30.51069       289.8292 82.74216 29.40506 72.09412 32.48945 10.64804       43.82034 
1 1 1 -32 19 13 f 148.0389 20.73890 724.3349       175.1253 798.5544       220.3819 597.1665       288.4739 151.1834 25.77930 118.8883 37.22683 32.29508       45.28145 
1 1 1 -32 19 14 o 70.01028 26.57049 152.9855       150.2856 227.0139       182.3812 -3.609612      265.2589 80.35712 29.51199 67.43636 30.66579 12.92076       42.55993 
1 1 1 -32 19 15 o 107.1283 35.52592 481.1975       260.2566 0.000000       0.000000 481.1975       260.2566 ?        ?        107.1283 35.52592 0.000000       35.52592 
1 1 1 -32 19 16 o 67.77589 26.87710 132.5602       159.0372 166.5195       197.5990 70.10439       267.9738 73.85151 29.73151 71.38194 31.77088 2.469574       43.51266 
1 1 1 -32 19 17 o 229.4314 13.64464 1634.301       182.7677 1692.549       234.9338 1545.007       290.8828 229.3570 17.60005 211.5483 23.86125 17.80873       29.64998 
1 1 1 -32 19 18 o 83.64349 27.74324 260.6160       158.7157 98.83001       198.5571 546.9326       264.1424 67.19656 28.64010 112.3270 35.68218 -45.13044      45.75449 
1 1 1 -32 19 19 o 58.04950 25.32975 35.97575       162.5878 -105.0424      201.6634 297.8817       274.8288 53.72293 25.22055 86.81059 35.02295 -33.08766      43.15882 
1 1 1 -32 19 20 o 70.23553 28.23670 151.9971       177.9646 119.6415       230.6918 199.5551       279.6850 70.79947 30.53459 79.09042 33.85765 -8.290947      45.59278 
1 1 1 -32 19 21 o 88.24312 28.08374 300.1009       163.5600 322.2151       196.6644 250.4912       294.5597 89.45159 30.87496 82.51633 35.01580 6.935265       46.68372 
1 1 1 -32 19 22 o 79.00423 28.90252 236.7096       174.6608 306.7915       218.0298 111.1740       291.8074 86.44211 32.17303 73.07001 32.79198 13.37209       45.93929 
1 1 1 -32 19 23 o 72.83691 27.35861 189.8390       158.3947 216.6819       192.4612 133.4943       278.8402 76.57268 29.80553 73.35709 32.54300 3.215584       44.12954 
1 1 1 -32 19 24 o 61.78080 26.09699 88.05173       162.3741 163.2014       208.0750 -28.98118      259.6631 71.72897 29.86896 62.83807 29.20739 8.890896       41.77591 
1 1 1 -32 19 25 o 142.0703 21.98447 706.4506       177.2661 691.8974       236.6113 725.0695       267.6285 129.6372 31.44693 127.9588 34.76562 1.678383       46.87811 
1 1 1 -32 20 1  o 146.9081 21.16606 707.0867       177.1079 577.6161       207.3888 1055.894       340.4022 127.2495 28.49911 165.0211 36.17251 -37.77163      46.05051 
1 1 1 -32 20 2  f 329.2571 20.17190 3485.559       387.6528 0.000000       0.000000 3485.559       387.6528 ?        ?        329.2571 20.17190 0.000000       20.17190 
1 1 1 -32 20 3  o 215.3675 15.56438 1442.546       195.2643 1392.756       237.9871 1545.106       341.5674 208.0652 19.73920 209.8180 28.49327 -1.752884      34.66270 
1 1 1 -32 20 4  o 232.4564 14.18329 1664.286       192.4408 1707.230       234.9534 1576.760       335.4328 232.7347 17.33810 212.9905 27.49385 19.74422       32.50418 
1 1 1 -32 20 5  o 123.7697 27.30510 542.0097       192.8759 465.1495       207.8787 1017.571       517.0859 111.8223 30.74585 139.2494 49.89687 -27.42712      58.60891 
1 1 1 -32 20 6  o 444.3631 25.70263 6720.021       666.9739 0.000000       0.000000 6720.021       666.9739 ?        ?        444.3631 25.70263 0.000000       25.70263 
1 1 1 -32 20 7  o 194.0500 16.27200 1181.944       183.4808 1219.704       216.8123 1086.669       344.3959 194.6580 19.24307 166.0341 36.37587 28.62395       41.15215 
1 1 1 -32 20 8  o 57.06350 25.34357 -3.857569      169.5935 96.79258       194.6351 -321.2510      345.6311 68.43286 28.71988 63.00751 30.49487 5.425350       41.88997 
1 1 1 -32 20 9  o 152.6286 19.10946 754.0797       167.3161 813.0233       193.8813 582.1091       331.1652 156.5147 21.70519 115.1489 40.04831 41.36575       45.55198 
1 1 1 -32 20 10 o 97.04784 27.69333 342.5523       165.3636 250.1462       193.5911 591.9365       318.0311 83.91059 30.46923 116.5758 39.28292 -32.66517      49.71440 
1 1 1 -32 20 11 o 47.61677 22.28297 -103.5895      155.3112 -85.72683      183.5184 -148.6722      291.5492 53.21886 24.67370 63.34321 29.91739 -10.12436      38.77940 
1 1 1 -32 20 12 o 212.8195 14.50013 1409.272       179.9004 1562.738       223.6814 1128.173       302.7284 221.4469 17.36176 174.1541 30.76407 47.29279       35.32505 
1 1 1 -32 20 13 o 50.22168 23.18982 -71.10043      159.6937 15.18461       194.7336 -248.2827      279.0509 61.09875 27.14521 57.68799 27.79143 3.410767       38.84875 
1 1 1 -32 20 14 o 50.53528 23.00494 -41.94483      149.7838 71.52721       184.8464 -258.9199      255.6062 64.24519 27.51430 54.40125 26.30412 9.843937       38.06499 
1 1 1 -32 20 15 o 54.91228 24.46366 -2.190652      159.2696 222.4227       202.6270 -365.3132      257.6358 79.65438 30.69728 50.91613 25.00478 28.73825       39.59245 
1 1 1 -32 20 16 o 137.5694 34.34835 774.3987       276.2622 0.000000       0.000000 774.3987       276.2622 ?        ?        137.5694 34.34835 0.000000       34.34835 
1 1 1 -32 20 17 o 54.30323 24.24422 -2.446148      157.3008 168.4008       196.0630 -311.0761      263.5185 73.27570 29.57468 53.01609 25.87765 20.25961       39.29777 
1 1 1 -32 20 18 o 55.81980 24.20887 33.86090       146.6324 161.6843       177.2627 -243.1620      260.9576 71.40919 28.35689 54.95116 26.57196 16.45802       38.86106 
1 1 1 -32 20 19 o 94.31326 29.10479 346.6553       177.0401 474.3089       229.9300 160.7717       277.4595 106.2995 33.22805 76.35573 33.20657 29.94375       46.97637 
1 1 1 -32 20 20 f 50.71036 23.50604 -66.33621      166.4353 -77.50326      210.9850 -47.93868      270.8084 55.97232 26.12030 63.64731 29.66558 -7.674988      39.52615 
1 1 1 -32 20 21 o 58.91121 26.29362 22.18208       184.8728 51.49639       243.9401 -17.37381      283.3668 66.38432 29.87097 65.79310 30.55717 0.5912247      42.73190 
1 1 1 -32 20 22 o 83.45847 38.29825 234.6312       426.1670 0.000000       0.000000 234.6312       426.1670 ?        ?        83.45847 38.29825 0.000000       38.29825 
1 1 1 -32 20 23 f 46.42099 22.12469 -136.0629      166.6674 -52.80648      208.3820 -283.8863      277.6661 56.52269 26.23529 54.43570 26.56898 2.086987       37.33900 
1 1 1 -32 20 24 o 78.52946 29.27772 239.9155       180.7026 164.0629       236.6428 346.0066       279.8645 72.73466 31.14037 87.65961 35.35056 -14.92496      47.11034 
1 1 1 -32 21 1  o 72.98676 33.62372 -37.13297      332.9578 0.000000       0.000000 -37.13297      332.9578 ?        ?        72.98676 33.62372 0.000000       33.62372 
1 1 1 -32 21 2  o 147.4193 19.78806 706.0673       166.7668 844.0946       194.1494 317.6470       325.6902 160.2741 21.17219 93.60531 37.99506 66.66882       43.49582 
1 1 1 -32 21 3  o 164.7542 35.57927 1058.127       333.7103 0.000000       0.000000 1058.127       333.7103 ?        ?        164.7542 35.57927 0.000000       35.57927 
1 1 1 -32 21 4  o 116.3618 25.89791 474.9049       172.1854 410.7577       200.0133 658.5229       338.3978 104.7156 30.63255 122.6269 40.50372 -17.91127      50.78292 
1 1 1 -32 21 5  f 138.9710 24.33190 660.2171       191.0911 698.1835       203.0303 365.5892       565.5851 142.2212 25.26714 100.2947 45.27487 41.92641       51.84826 
1 1 1 -32 21 6  f 107.9557 26.53240 414.9471       166.7723 315.9683       189.2718 758.5949       352.6725 92.38108 30.28084 130.6300 41.19728 -38.24888      51.12872 
1 1 1 -32 21 7  o 36.88565 18.27271 -302.6726      148.2461 -390.6847      162.8899 121.8533       357.7463 36.60537 18.29721 81.78473 36.53449 -45.17936      40.86021 
1 1 1 -32 21 8  o 117.0171 26.19110 485.9027       175.2519 409.0759       203.7010 704.7719       343.8183 103.5103 31.07594 125.1830 40.79841 -21.67274      51.28572 
1 1 1 -32 21 9  o 80.23200 27.62527 226.9098       157.4101 137.7908       179.8296 518.9691       325.5455 70.53512 28.37481 108.3995 39.48938 -37.86438      48.62654 
1 1 1 -32 21 10 o 95.65432 28.25696 338.6054       169.4902 332.6297       205.2445 351.4176       300.5315 93.14413 31.55720 93.98765 37.04862 -0.8435135     48.66679 
1 1 1 -32 21 11 o 92.06600 27.00099 309.6846       155.2291 319.6173       182.3386 283.5309       295.8765 92.05235 29.68850 88.13474 36.04864 3.917618       46.70023 
1 1 1 -32 21 12 o 67.37103 26.98517 125.4847       161.9091 151.1542       193.5817 65.71931       295.3793 72.31303 29.31443 73.40832 32.96406 -1.095291      44.11309 
1 1 1 -32 21 13 o 113.2083 24.81026 454.1215       160.1672 572.9703       191.7149 179.4736       291.4383 125.8076 26.80445 79.85477 34.37899 45.95285       43.59350 
1 1 1 -32 21 14 o 67.58708 26.67029 134.8094       155.8891 146.8396       194.1625 112.9883       261.4968 71.46465 29.21297 73.31652 32.05464 -1.851868      43.36931 
1 1 1 -32 21 15 o 101.4500 25.89227 375.9955       154.5492 440.5105       191.2570 254.5998       262.3544 106.8314 29.53706 83.55836 34.03270 23.27300       45.06287 
1 1 1 -32 21 16 o 98.50809 27.19215 363.2924       162.2403 366.4594       204.5250 357.9172       266.4524 95.57314 31.48517 92.37225 35.30210 3.200890       47.30280 
1 1 1 -32 21 17 o 95.23608 26.58768 338.1240       154.1495 343.5272       186.8831 326.6227       272.6572 93.41632 30.04963 89.12654 35.23998 4.289780       46.31238 
1 1 1 -32 21 18 o 56.09504 24.78345 18.76341       160.1125 -123.4821      197.0014 295.5768       274.8170 51.94559 24.55175 86.03049 34.90856 -34.08491      42.67782 
1 1 1 -32 21 19 o 94.21319 28.83672 348.1470       174.2339 338.2094       219.2121 365.1944       287.1136 90.26286 32.47040 91.09115 36.11599 -0.8282928     48.56636 
1 1 1 -32 21 20 o 128.1376 24.22107 589.0222       175.3531 529.5244       221.1091 689.8723       287.8690 112.9848 31.95013 122.5473 36.97622 -9.562531      48.86769 
1 1 1 -32 21 21 o 52.92018 25.05499 -120.0606      206.8113 -233.0098      304.2137 -23.00523      281.9987 58.82009 28.50188 65.19920 30.34975 -6.379105      41.63490 
1 1 1 -32 21 22 o 121.2570 39.18777 728.0403       317.5860 0.000000       0.000000 728.0403       317.5860 ?        ?        121.2570 39.18777 0.000000       39.18777 
1 1 1 -32 21 23 o 67.76073 28.72529 127.6973       197.8946 242.7871       270.3833 -5.082088      290.4201 79.62146 33.65675 66.05889 30.76662 13.56257       45.60001 
1 1 1 -32 22 1  o 63.79845 26.99279 70.63961       174.1742 25.44733       191.5204 286.7669       418.8298 62.04914 27.27149 93.03460 40.62369 -30.98546      48.92871 
1 1 1 -32 22 2  o 85.84322 36.69711 217.9647       327.7300 0.000000       0.000000 217.9647       327.7300 ?        ?        85.84322 36.69711 0.000000       36.69711 
1 1 1 -32 22 3  o 99.71737 28.55426 365.9221       175.5073 440.1425       197.2048 83.21989       384.8758 108.3771 30.00373 81.28669 36.95405 27.09045       47.60069 
1 1 1 -32 22 4  o 292.6129 14.16367 2646.989       242.3416 2169.866       274.9596 4307.668       512.9757 260.6675 18.09826 355.4886 24.75960 -94.82117      30.66895 
1 1 1 -32 22 5  o 129.9031 21.44062 563.7215       157.6519 418.2851       179.6411 1051.088       328.8494 106.7261 28.25894 162.8950 35.43290 -56.16891      45.32172 
1 1 1 -32 22 6  o 55.86151 24.80781 -1.852795      162.4675 -189.0641      184.8070 635.1193       340.8886 47.88009 22.94919 118.2174 40.65533 -70.33734      46.68534 
1 1 1 -32 22 7  o 87.53114 26.97917 277.3021       152.1798 316.6647       168.1979 99.66868       357.3065 92.59415 28.33123 79.80328 36.00872 12.79088       45.81797 
1 1 1 -32 22 8  o 61.85720 25.94983 73.20958       158.8022 -0.5499590     181.7747 310.9524       326.3459 58.42908 26.07581 90.92579 37.59417 -32.49671      45.75226 
1 1 1 -32 22 9  o 56.98824 24.63573 33.16672       150.8622 120.2676       173.1931 -240.7754      307.1487 67.87062 27.64835 60.92469 29.30132 6.945930       40.28645 
1 1 1 -32 22 10 o 59.49790 25.80048 39.58741       166.4999 34.40115       200.5388 51.09530       298.7232 63.03245 27.79717 72.85714 32.89495 -9.824688      43.06693 
1 1 1 -32 22 11 o 73.33468 27.43366 179.5332       158.9255 113.6396       185.6174 360.5036       307.6102 67.95131 28.24649 93.49355 37.28024 -25.54224      46.77264 
1 1 1 -32 22 12 o 116.6256 26.11708 491.8722       174.1848 554.4057       216.5329 377.2058       293.2145 119.5717 30.71669 94.54384 36.79230 25.02782       47.92899 
1 1 1 -32 22 13 f 118.5238 23.81502 493.0118       159.7910 568.4681       191.2537 318.5739       290.7921 124.6817 26.94271 89.31008 36.02773 35.37163       44.98786 
1 1 1 -32 22 14 o 54.20661 24.31376 -9.472509      160.1905 -11.38575      201.1205 -6.152649      264.9301 59.32410 26.86790 66.11754 30.28689 -6.793438      40.48679 
1 1 1 -32 22 15 o 70.21784 26.90178 160.7072       154.9856 370.6472       190.4537 -250.8870      266.6713 96.98077 30.23018 55.37677 26.79793 41.60400       40.39793 
1 1 1 -32 22 16 o 104.6340 25.72900 401.4226       156.7662 451.6711       193.2198 304.6313       268.1690 107.4979 29.67543 87.07549 34.77921 20.42242       45.71898 
1 1 1 -32 22 17 o 129.7685 23.06398 589.8170       169.0994 596.5942       214.2554 578.6221       275.3694 123.6398 29.88227 113.1049 36.48490 10.53498       47.16034 
1 1 1 -32 22 18 o 232.7622 13.65613 1694.871       185.6003 1502.403       235.2141 2012.429       302.1310 212.9738 19.03193 243.0435 21.41514 -30.06964      28.65001 
1 1 1 -32 22 19 o 111.5940 25.42969 458.6705       162.7092 465.1431       198.9244 445.5864       282.8264 107.4320 30.27906 97.78131 36.59340 9.650650       47.49630 
1 1 1 -32 22 20 f 52.96769 24.29850 -37.82228      171.3582 -52.07543      215.9654 -13.59858      281.5459 57.55298 26.71175 65.63399 30.47490 -8.081005      40.52452 
1 1 1 -32 22 21 o 188.3088 16.90081 1153.458       184.6671 1253.639       233.6705 986.8051       301.3817 191.1946 21.19463 152.1936 34.55700 39.00095       40.53885 
1 1 1 -32 22 22 o 44.66670 21.81603 -243.6340      188.1461 -214.9575      235.0498 -294.7747      313.8922 51.88732 25.12122 57.24966 28.00802 -5.362343      37.62346 
1 1 1 -32 23 1  o 165.8886 19.10203 893.3974       182.4543 1056.948       216.4963 492.5071       338.9516 178.7863 21.05039 105.5670 39.94038 73.21932       45.14812 
1 1 1 -32 23 2  o 70.76083 27.28621 152.8957       160.1660 79.26762       185.0346 372.9143       319.8608 65.39040 27.75069 95.97841 38.09872 -30.58801      47.13399 
1 1 1 -32 23 3  o 162.5430 19.24324 860.1804       179.8873 1107.419       219.5704 355.4718       313.7158 183.1467 20.81062 94.45702 37.65370 88.68967       43.02189 
1 1 1 -32 23 4  o 159.3265 19.55190 829.9445       178.8699 624.8911       211.2515 1349.274       336.1922 130.7924 28.35899 190.0062 31.25541 -59.21384      42.20348 
1 1 1 -32 23 5  o 148.3163 23.91652 756.3088       200.9611 823.0397       215.5497 312.7918       555.6980 154.1091 24.68158 95.33891 43.74372 58.77023       50.22642 
1 1 1 -32 23 6  o 95.68981 28.30434 340.8736       169.9681 126.9988       198.8206 921.5483       327.6032 70.57407 29.27641 147.8788 37.67355 -77.30474      47.71168 
1 1 1 -32 23 7  o 110.7356 26.64537 444.8041       170.9367 503.6037       203.0356 301.6791       316.7689 115.2114 29.82000 89.54725 37.03267 25.66412       47.54630 
1 1 1 -32 23 8  o 121.3583 24.84738 519.6989       170.8900 442.5043       200.7841 722.5948       325.5162 106.9375 30.51546 126.2350 39.54733 -19.29742      49.95182 
1 1 1 -32 23 9  o 48.62621 22.52497 -74.14594      152.4511 -41.57541      174.3342 -180.0020      314.2881 54.17319 24.72173 63.39669 30.26161 -9.223495      39.07594 
1 1 1 -32 23 10 o 92.24413 29.21664 324.8079       177.2031 366.3136       214.7024 236.1238       313.8382 95.64725 32.27663 84.07989 35.92627 11.56736       48.29573 
1 1 1 -32 23 11 o 133.0095 22.49664 607.0463       169.2387 652.3785       202.8867 503.3517       306.8517 134.1080 26.73435 105.0855 38.33018 29.02245       46.73252 
1 1 1 -32 23 12 o 105.7426 27.97540 420.8612       176.1469 453.7231       217.1192 357.5815       301.2900 105.9275 32.14471 92.26254 36.85994 13.66496       48.90744 
1 1 1 -32 23 13 o 71.33221 27.68256 165.0927       165.6341 234.6343       201.4960 20.18524       290.8639 80.21234 30.68809 69.51578 31.80259 10.69656       44.19461 
1 1 1 -32 23 14 o 75.90112 27.68908 205.6802       160.1350 63.19748       194.4841 505.6362       282.1837 63.69473 27.74953 105.6641 36.95390 -41.96933      46.21285 
1 1 1 -32 23 15 o 144.1962 21.07834 706.5173       172.9885 941.0922       223.8186 358.4882       272.6236 163.4957 24.06092 91.40353 35.50307 72.09222       42.88818 
1 1 1 -32 23 16 o 80.12795 28.27866 242.1632       165.5043 326.0914       213.5046 115.7961       261.9812 89.19382 32.05002 72.07384 31.77843 17.11998       45.13394 
1 1 1 -32 23 17 o 170.6109 16.88295 943.5486       166.7169 973.0247       214.1000 898.1451       265.7216 167.6114 22.33569 150.7107 31.09513 16.90077       38.28564 
1 1 1 -32 23 18 o 52.59321 24.01977 -31.64261      164.9980 13.64199       212.3849 -100.5820      262.0488 61.18381 27.66991 60.04599 28.36111 1.137817       39.62293 
1 1 1 -32 23 19 o 96.52169 28.55140 367.3621       172.9458 274.3543       228.4690 492.1783       264.6690 82.75372 32.39817 103.3245 35.80998 -20.57082      48.29075 
1 1 1 -32 23 20 o 126.4800 24.12425 577.4953       172.4194 693.3982       214.6161 366.5170       289.5569 134.4241 28.12770 89.64174 36.02485 44.78239       45.70511 
1 1 1 -32 24 1  o 123.0368 25.14387 533.9295       175.3000 432.3419       207.2788 789.0942       328.5072 105.3379 31.28199 133.4858 39.31477 -28.14785      50.24155 
1 1 1 -32 24 2  o 100.2620 27.99859 373.5590       170.9183 448.3737       201.3662 180.7485       323.2649 107.9425 30.47871 81.80166 35.70469 26.14087       46.94440 
1 1 1 -32 24 3  o 180.5914 17.10309 1042.794       178.9846 826.2535       214.5335 1538.677       324.6502 154.1768 24.54840 207.3353 27.36637 -53.15852      36.76333 
1 1 1 -32 24 4  o 186.5296 19.00478 1133.811       205.0023 1260.031       226.1792 552.8811       485.2331 195.6950 19.98746 104.4835 44.65891 91.21147       48.92767 
1 1 1 -32 24 5  o 175.8024 17.82410 996.7565       181.2364 701.1045       214.5351 1733.643       338.6945 139.1295 27.26768 220.7805 26.69921 -81.65103      38.16247 
1 1 1 -32 24 6  o 116.2948 25.17583 481.3232       166.7229 617.2543       191.4861 55.36600       338.9697 131.6444 25.72456 75.43121 34.44160 56.21323       42.98810 
1 1 1 -32 24 7  o 146.6793 21.97781 729.4783       183.2468 767.4542       220.4753 644.6339       329.5472 146.0279 26.72852 117.4345 39.98465 28.59335       48.09559 
1 1 1 -32 24 8  o 99.93670 28.49098 377.9378       175.1075 487.3815       205.6378 89.24694       333.9830 111.9926 30.49388 76.49810 34.63690 35.49447       46.14750 
1 1 1 -32 24 9  o 198.5003 16.87898 1261.571       194.6361 1437.567       235.9902 887.1761       344.1978 209.1475 19.46273 139.2925 40.01975 69.85501       44.50145 
1 1 1 -32 24 10 o 86.71358 29.61023 287.1006       180.7455 359.3328       220.1056 137.5365       316.7227 94.17188 32.65539 77.74099 34.57428 16.43089       47.55791 
1 1 1 -32 24 11 o 95.95083 28.36418 351.2223       170.7303 359.7291       205.5376 332.2893       306.6324 94.69160 31.57599 89.97053 36.73668 4.721069       48.44200 
1 1 1 -32 24 12 o 90.57449 28.21770 313.5439       165.9647 391.9655       200.7144 144.0211       295.1040 98.78640 31.06921 76.40579 33.70639 22.38061       45.84121 
1 1 1 -32 24 13 o 71.20270 27.98589 165.1634       171.0482 4.617775       211.5477 468.3050       290.6911 61.08715 27.62181 100.9270 37.22546 -39.83986      46.35406 
1 1 1 -32 24 14 o 147.1885 21.52831 741.6977       180.3425 740.5583       232.5048 743.4185       285.7306 138.7451 29.48354 130.0351 36.15960 8.710007       46.65615 
1 1 1 -32 24 15 o 93.01875 27.16709 330.1049       157.4289 500.9260       197.7916 34.82674       260.0476 112.8743 29.54103 66.94471 30.41116 45.92961       42.39707 
1 1 1 -32 24 16 o 150.0639 31.82465 902.9446       271.3898 0.000000       0.000000 902.9446       271.3898 ?        ?        150.0639 31.82465 0.000000       31.82465 
1 1 1 -32 24 17 o 63.21536 26.99136 86.12862       176.9133 153.8948       237.4754 1.615362       265.2006 72.88969 31.20066 65.25942 30.04367 7.630264       43.31401 
1 1 1 -32 24 18 o 169.5212 19.24768 961.4335       187.9772 1214.697       253.8702 654.0565       279.6799 184.7667 23.99429 119.0877 36.55104 65.67905       43.72305 
1 1 1 -32 24 19 o 98.04092 27.82053 377.3071       167.3514 381.2809       211.6877 370.6845       273.2769 94.28115 32.04750 90.11998 35.38807 4.161171       47.74262 
1 1 1 -32 25 1  o 108.7966 27.57990 437.1911       176.1859 430.9349       212.8406 450.8100       314.0301 104.2859 31.86260 101.0249 38.39272 3.260918       49.89215 
1 1 1 -32 25 2  f 125.5996 24.72746 555.4393       175.6589 562.0731       210.2563 540.1086       319.6328 121.7726 29.70866 108.6387 39.19208 13.13392       49.17950 
1 1 1 -32 25 3  o 209.1728 16.01336 1385.585       194.9501 1335.586       234.3600 1497.898       351.2521 201.1369 20.13793 199.0121 31.11268 2.124802       37.06123 
1 1 1 -32 25 4  o 179.6679 20.36978 1070.844       210.8554 1140.692       229.4406 691.3447       534.8087 184.1326 21.66042 109.5185 46.84973 74.61408       51.61464 
1 1 1 -32 25 5  o 143.6945 21.63687 698.4711       176.6900 557.2103       205.0369 1106.027       348.2690 121.4874 29.15040 161.6813 37.46313 -40.19391      47.46822 
1 1 1 -32 25 6  o 66.68549 27.49849 113.3822       173.9794 54.34454       198.8649 305.9794       359.1853 63.90741 27.94693 89.41279 38.32474 -25.50538      47.43223 
1 1 1 -32 25 7  o 103.8444 28.64524 410.3911       180.1134 447.5759       210.2281 307.7704       349.2413 105.8677 31.51966 89.06808 37.97343 16.79958       49.35048 
1 1 1 -32 25 8  o 66.86439 27.29067 121.5384       169.1323 272.3091       196.1281 -315.8541      334.0543 84.45766 30.66818 60.17456 29.31964 24.28310       42.42851 
1 1 1 -32 25 9  o 123.7209 27.28410 566.7239       192.6424 784.9238       235.6237 126.8134       334.5600 144.6148 28.79392 77.59140 34.94202 67.02344       45.27730 
1 1 1 -32 25 10 o 70.94039 28.72838 153.7875       185.7002 307.0637       228.4953 -144.4072      318.7057 87.47723 32.85921 64.21217 30.60152 23.26506       44.90190 
1 1 1 -32 25 11 o 80.58976 29.65421 244.4095       184.2868 226.0711       229.9454 277.3388       308.1311 79.38045 32.03201 85.06271 35.94175 -5.682259      48.14415 
1 1 1 -32 25 12 o 54.26168 24.33561 -3.785475      160.4271 4.701535       189.3272 -25.39516      302.1063 58.49933 26.31993 67.39551 31.38591 -8.896175      40.96113 
1 1 1 -32 25 13 o 87.00027 29.15273 296.0584       175.1699 257.5167       222.5552 358.8098       283.9774 81.81575 31.99219 90.70455 35.93238 -8.888802      48.11067 
1 1 1 -32 25 14 o 69.68452 27.94719 153.6879       173.8875 186.1142       222.9063 103.2790       277.9244 75.06564 31.05652 72.05427 32.19376 3.011375       44.73193 
1 1 1 -32 25 15 o 95.20464 29.21077 359.7399       178.6464 651.0811       232.7156 -58.29854      278.7614 126.9079 31.43230 63.58629 29.78739 63.32161       43.30448 
1 1 1 -32 25 16 o 49.23299 24.58445 -531.4363      290.8086 0.000000       0.000000 -531.4363      290.8086 ?        ?        49.23299 24.58445 0.000000       24.58445 
1 1 1 -32 25 17 o 145.2512 24.34999 760.1708       200.0943 948.3699       276.8209 554.2504       289.5609 152.7370 31.93254 106.7401 37.42625 45.99686       49.19768 
1 1 1 -32 26 1  o 51.66388 24.33803 -119.6926      190.6811 -25.07988      238.2038 -288.4732      318.1526 62.66690 28.71086 59.70999 28.98333 2.956909       40.79640 
1 1 1 -32 26 2  o 123.2106 27.58502 561.4965       194.3561 814.7415       241.1644 92.24477       328.2810 147.8152 28.85505 75.97368 34.37556 71.84152       44.88087 
1 1 1 -32 26 3  o 189.9577 18.04847 1171.439       198.6575 1327.512       247.5039 888.8139       333.0618 198.2671 21.63605 140.6564 39.01221 57.61067       44.61021 
1 1 1 -32 26 4  o 95.47034 43.76044 410.5089       554.2544 0.000000       0.000000 410.5089       554.2544 ?        ?        95.47034 43.76044 0.000000       43.76044 
1 1 1 -32 26 5  o 85.26532 29.31922 277.2433       177.2875 256.3137       208.4380 331.9920       337.1188 82.54719 31.30023 89.97036 37.78060 -7.423172      49.06198 
1 1 1 -32 26 6  o 109.4971 28.09118 454.0398       181.2643 464.5041       213.5770 427.0912       342.7429 107.1331 31.73827 96.35752 39.02636 10.77554       50.30283 
1 1 1 -32 26 7  o 40.59182 19.98429 -282.4148      167.9238 -196.3064      195.0020 -529.4921      330.3184 48.31633 23.26533 53.91640 26.80603 -5.600075      35.49421 
1 1 1 -32 26 8  o 168.8465 19.64637 948.4941       190.9178 1134.472       225.8739 483.2158       357.2660 182.7473 21.48481 99.50588 40.00645 83.24142       45.41050 
1 1 1 -32 26 9  o 71.44348 29.38632 153.7039       198.0287 -68.56479      228.8544 816.0924       395.0722 58.68956 27.32671 122.8347 43.65846 -64.14513      51.50544 
1 1 1 -32 26 10 o 49.06900 23.75872 -225.8866      210.3558 -100.9536      232.7699 -782.4824      491.3128 57.40366 26.99478 61.65391 30.95456 -4.250252      41.07192 
1 1 1 -32 26 11 o 93.02383 30.26539 347.0598       189.2484 418.8813       239.9393 228.8260       307.8541 98.32844 34.09505 81.38007 35.18627 16.94837       48.99537 
1 1 1 -32 26 12 o 47.61992 22.70022 -144.9130      175.6152 -258.2184      219.7009 55.59555       292.2623 48.96140 23.83851 70.42706 32.08905 -21.46566      39.97477 
1 1 1 -32 26 13 o 99.71157 27.74513 383.1010       168.1634 427.5579       206.0503 294.4276       291.0051 101.7927 31.39652 85.17487 35.38359 16.61781       47.30476 
1 1 1 -32 26 14 o 47.98010 22.81499 -133.0295      175.1602 -169.6635      214.2673 -59.22659      304.1238 51.61287 24.73101 65.40377 30.78777 -13.79090      39.49063 
1 1 1 -32 26 15 o 65.11369 27.50874 107.6187       180.4587 187.9632       220.6274 -54.78138      313.6711 74.42374 30.85383 65.97617 31.12167 8.447571       43.82371 
1 1 1 -32 27 1  o 64.10176 27.54757 76.12151       186.4852 81.13712       238.6838 68.26207       298.7840 68.99308 30.37972 72.53596 32.80993 -3.542885      44.71486 
1 1 1 -32 27 2  o 116.0223 29.08286 515.4582       197.4893 883.0830       268.1644 79.78365       291.9307 150.4955 31.39978 72.63866 32.68199 77.85684       45.32173 
1 1 1 -32 27 3  o 59.72692 26.32215 32.28650       179.5436 -236.2989      227.6361 474.4250       292.0647 51.16969 24.76131 102.0321 37.36702 -50.86246      44.82651 
1 1 1 -32 27 4  o 81.09610 29.71374 246.5173       184.7126 545.3091       235.6442 -229.6463      297.4750 114.6673 33.16470 59.21307 28.56814 55.45422       43.77254 
1 1 1 -32 27 5  o 154.2327 21.36758 808.5494       188.0925 746.7774       229.0123 936.5927       329.7169 140.7222 28.72206 144.7610 38.26342 -4.038788      47.84398 
1 1 1 -32 27 6  o 131.0469 23.94193 606.8824       177.2295 568.4708       212.0547 695.8795       322.7780 120.5902 30.08424 120.4124 39.54777 0.1778030      49.68992 
1 1 1 -32 27 7  o 48.26066 22.84579 -124.3520      171.8354 -135.8331      202.8900 -95.22006      323.1872 52.11118 24.71431 66.24158 31.34981 -14.13040      39.92001 
1 1 1 -32 27 8  o 67.04253 27.41469 126.9106       171.0662 250.6276       194.0839 -303.8391      362.1490 81.20370 30.32894 62.33185 30.40540 18.87185       42.94569 
1 1 1 -32 27 9  o 96.29072 30.95387 376.6378       198.3222 357.4546       232.3399 428.1397       380.6923 92.06518 33.38683 94.50855 39.94239 -2.443375      52.05838 
1 1 1 -32 27 10 o 146.9318 26.23260 789.8051       217.7570 927.7014       268.6313 525.5547       371.8673 153.7826 30.85905 100.8292 40.71782 52.95339       51.09032 
1 1 1 -32 27 11 o 51.84464 24.31583 -93.04767      186.6971 87.40871       234.0860 -408.4850      309.4894 68.00368 30.00910 54.32280 26.81752 13.68088       40.24582 
1 1 1 -32 27 12 o 75.64240 29.09719 209.2876       181.8158 268.5453       230.7419 112.2405       295.2876 82.19292 32.44336 73.05438 32.86917 9.138542       46.18391 
1 1 1 -32 28 1  o 51.20796 23.79740 -75.69843      172.2589 -29.60685      204.4545 -188.4644      319.7973 58.25898 26.65677 62.68419 30.08276 -4.425201      40.19398 
1 1 1 -32 28 2  o 104.3651 28.31471 417.2069       177.6743 247.6974       214.4240 788.5667       317.3757 81.29932 31.51169 130.9454 38.66300 -49.64613      49.87799 
1 1 1 -32 28 3  o 95.16173 29.57254 356.2608       182.4097 399.8242       223.2322 268.7269       316.4346 97.77425 32.91135 84.71509 36.13260 13.05917       48.87455 
1 1 1 -32 28 4  o 141.9990 23.93843 711.5546       192.2748 790.0601       241.3670 575.2214       318.0742 143.4856 29.66320 108.8977 39.12048 34.58790       49.09499 
1 1 1 -32 28 5  o 105.9856 30.27564 447.9961       197.5387 677.5709       242.8578 -0.8562285     339.5797 129.3245 32.15609 71.10217 33.16658 58.22233       46.19563 
1 1 1 -32 28 6  o 83.90971 29.52880 273.6997       180.3646 349.1153       219.0501 114.9214       317.8399 91.59306 32.51348 75.12981 33.92517 16.46325       46.98982 
1 1 1 -32 28 7  o 133.9458 23.20754 631.4258       175.7074 661.6274       210.7119 562.4927       318.3372 132.1925 28.04845 106.7127 39.02263 25.47976       48.05706 
1 1 1 -32 28 8  o 70.09161 27.32858 163.8352       162.0177 121.5569       181.6153 328.6307       358.5639 66.86579 27.87940 87.71498 37.94957 -20.84919      47.08960 
1 1 1 -31 0  1  o 118.9362 59.47713 699.8415       506.4665 699.8415       506.4665 699.8415       506.4665 118.9362 59.47713 118.9362 59.47713 0.000000       0.000000 
1 1 1 -31 0  2  o 308.4364 31.42737 2983.713       553.8483 2983.713       553.8483 2983.713       553.8483 308.4364 31.42737 308.4364 31.42737 -0.000000      0.000000 
1 1 1 -31 0  3  o 71.10120 45.98868 53.46167       450.2997 53.46167       450.2997 53.46167       450.2997 71.10120 45.98868 71.10120 45.98868 0.000000       0.000000 
1 1 1 -31 0  4  o 210.3234 44.53475 1542.507       483.1865 1542.507       483.1865 1542.507       483.1865 210.3234 44.53475 210.3234 44.53475 -0.000000      0.000000 
1 1 1 -31 0  5  o 122.8811 58.62884 735.4965       483.5905 735.4965       483.5905 735.4965       483.5905 122.8811 58.62884 122.8811 58.62884 0.000000       0.000000 
1 1 1 -31 0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  7  o 342.2557 27.09955 3608.934       535.8811 3608.934       535.8811 3608.934       535.8811 342.2557 27.09955 342.2557 27.09955 0.000000       0.000000 
1 1 1 -31 0  8  o 214.3675 30.07828 1474.975       356.7986 1474.975       356.7986 1474.975       356.7986 214.3675 30.07828 214.3675 30.07828 -0.000000      0.000000 
1 1 1 -31 0  9  o 66.10565 41.46228 109.8877       333.8374 109.8877       333.8374 109.8877       333.8374 66.10565 41.46228 66.10565 41.46228 0.000000       0.000000 
1 1 1 -31 0  10 o 56.34890 37.73074 -80.73733      346.5618 -80.73733      346.5618 -80.73733      346.5618 56.34890 37.73074 56.34890 37.73074 0.000000       0.000000 
1 1 1 -31 0  11 o 199.3813 29.84187 1288.158       325.9246 1288.158       325.9246 1288.158       325.9246 199.3813 29.84187 199.3813 29.84187 -0.000000      0.000000 
1 1 1 -31 0  12 o 42.85680 30.16193 -299.8640      296.4442 -299.8640      296.4442 -299.8640      296.4442 42.85680 30.16193 42.85680 30.16193 0.000000       0.000000 
1 1 1 -31 0  13 o 173.7742 32.92154 1020.002       300.4659 1020.002       300.4659 1020.002       300.4659 173.7742 32.92154 173.7742 32.92154 -0.000000      0.000000 
1 1 1 -31 0  14 o 46.71697 31.96653 -140.4822      277.0499 -140.4822      277.0499 -140.4822      277.0499 46.71697 31.96653 46.71697 31.96653 -0.000000      0.000000 
1 1 1 -31 0  15 o 45.46569 31.10862 -132.1004      262.2994 -132.1004      262.2994 -132.1004      262.2994 45.46569 31.10862 45.46569 31.10862 0.000000       0.000000 
1 1 1 -31 0  16 o 72.75620 40.59795 250.5312       258.1040 250.5312       258.1040 250.5312       258.1040 72.75620 40.59795 72.75620 40.59795 -0.000000      0.000000 
1 1 1 -31 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 0  19 o 516.8962 16.59591 8047.507       501.9250 8047.507       501.9250 8047.507       501.9250 516.8962 16.59591 516.8962 16.59591 -0.000000      0.000000 
1 1 1 -31 0  20 o 197.3574 22.66298 1237.466       253.3524 1237.466       253.3524 1237.466       253.3524 197.3574 22.66298 197.3574 22.66298 -0.000000      0.000000 
1 1 1 -31 0  21 o 62.53506 36.16677 179.0499       215.1252 179.0499       215.1252 179.0499       215.1252 62.53506 36.16677 62.53506 36.16677 0.000000       0.000000 
1 1 1 -31 0  22 o 143.6117 32.30401 738.0852       237.4462 738.0852       237.4462 738.0852       237.4462 143.6117 32.30401 143.6117 32.30401 0.000000       0.000000 
1 1 1 -31 0  23 o 42.29930 28.70650 -73.42613      213.8851 -73.42613      213.8851 -73.42613      213.8851 42.29930 28.70650 42.29930 28.70650 0.000000       0.000000 
1 1 1 -31 0  24 o 299.5811 16.15752 2734.073       281.9841 2734.073       281.9841 2734.073       281.9841 299.5811 16.15752 299.5811 16.15752 -0.000000      0.000000 
1 1 1 -31 0  25 o 32.30823 23.15244 -287.6306      205.3331 -287.6306      205.3331 -287.6306      205.3331 32.30823 23.15244 32.30823 23.15244 0.000000       0.000000 
1 1 1 -31 0  26 o 66.71477 36.86655 228.6550       210.4369 228.6550       210.4369 228.6550       210.4369 66.71477 36.86655 66.71477 36.86655 0.000000       0.000000 
1 1 1 -31 0  27 o 51.20678 32.54835 74.69828       213.5477 74.69828       213.5477 74.69828       213.5477 51.20678 32.54835 51.20678 32.54835 -0.000000      0.000000 
1 1 1 -31 0  28 o 97.99440 39.47744 452.0824       221.0460 452.0824       221.0460 452.0824       221.0460 97.99440 39.47744 97.99440 39.47744 0.000000       0.000000 
1 1 1 -31 0  29 o 168.2571 24.41323 948.7896       226.1437 948.7896       226.1437 948.7896       226.1437 168.2571 24.41323 168.2571 24.41323 -0.000000      0.000000 
1 1 1 -31 0  30 o 32.16567 23.05668 -274.4563      204.2275 -274.4563      204.2275 -274.4563      204.2275 32.16567 23.05668 32.16567 23.05668 0.000000       0.000000 
1 1 1 -31 0  31 o 96.02272 38.88161 442.8204       214.0895 442.8204       214.0895 442.8204       214.0895 96.02272 38.88161 96.02272 38.88161 -0.000000      0.000000 
1 1 1 -31 0  32 o 53.94216 33.55643 122.9465       214.0569 122.9465       214.0569 122.9465       214.0569 53.94216 33.55643 53.94216 33.55643 -0.000000      0.000000 
1 1 1 -31 0  33 o 51.01451 32.42397 92.45678       211.8772 92.45678       211.8772 92.45678       211.8772 51.01451 32.42397 51.01451 32.42397 0.000000       0.000000 
1 1 1 -31 0  34 o 87.04164 39.73464 402.3324       220.4452 402.3324       220.4452 402.3324       220.4452 87.04164 39.73464 87.04164 39.73464 0.000000       0.000000 
1 1 1 -31 0  35 o 28.49550 20.81868 -441.2968      212.7089 -441.2968      212.7089 -441.2968      212.7089 28.49550 20.81868 28.49550 20.81868 -0.000000      0.000000 
1 1 1 -31 1  1  o 447.5174 18.41468 6046.494       482.2763 5974.609       679.7604 6119.353       684.3461 438.1110 26.58088 443.5483 26.42760 -5.437347      37.48281 
1 1 1 -31 1  2  o 261.0434 25.27458 2120.211       382.1080 2115.163       529.8835 2125.679       551.5309 253.0169 36.78601 252.3738 38.47806 0.6431122      53.23318 
1 1 1 -31 1  3  o 313.3044 20.31365 2988.768       371.2422 3181.438       517.9347 2785.189       532.3956 318.0956 28.05010 295.1513 31.22981 22.94434       41.97749 
1 1 1 -31 1  4  o 431.3390 17.82419 5611.211       449.9271 6112.741       640.9881 5124.112       631.6996 444.6744 24.67536 405.2240 26.72990 39.45047       36.37803 
1 1 1 -31 1  5  o 521.2900 17.63184 8190.326       538.2724 7923.041       732.2700 8504.517       793.9270 506.1200 24.74489 523.0391 25.96305 -16.91904      35.86627 
1 1 1 -31 1  6  o 253.7987 22.99125 1990.148       338.5091 1992.159       465.4066 1987.890       493.2546 247.6485 32.85366 245.6526 35.24550 1.995926       48.18307 
1 1 1 -31 1  7  o 215.5505 29.88747 1492.151       367.6707 862.1332       453.9451 2693.642       626.8839 154.3825 46.40001 282.9948 38.79072 -128.6123      60.47876 
1 1 1 -31 1  8  o 169.5549 32.50823 948.0630       311.5023 901.0854       438.8672 995.7597       442.2135 158.0085 45.12358 166.5372 44.44847 -8.528702      63.33881 
1 1 1 -31 1  9  o 218.4590 20.05254 1463.837       254.0518 1494.630       359.2052 1433.017       359.3618 215.7284 29.13538 210.6905 29.92338 5.037842       41.76457 
1 1 1 -31 1  10 o 326.8477 16.04890 3219.809       306.6983 3542.689       488.6522 3009.941       393.9593 336.6000 24.93039 312.5666 21.62438 24.03336       33.00209 
1 1 1 -31 1  11 o 163.8678 24.11910 848.9518       224.8688 749.8648       296.6368 982.8225       344.7938 148.4356 34.70022 169.8388 35.74854 -21.40321      49.82031 
1 1 1 -31 1  12 o 66.60612 28.95578 2.103545       210.8075 -189.9356      284.1656 237.1383       314.3711 65.50325 30.48280 95.84003 37.85690 -30.33678      48.60397 
1 1 1 -31 1  13 o 166.8099 22.09312 874.6207       210.8279 1044.280       290.9446 687.0326       305.9310 178.6618 28.74166 139.7742 36.81599 38.88765       46.70653 
1 1 1 -31 1  14 o 65.66337 28.03275 31.42105       190.7814 66.95750       267.0739 -5.607441      272.6229 77.77030 33.18349 73.50722 32.41365 4.263084       46.38738 
1 1 1 -31 1  15 o 243.0537 14.94299 1790.656       211.9755 1947.765       292.9511 1617.996       307.1068 250.2870 20.12707 225.6419 23.55345 24.64516       30.98167 
1 1 1 -31 1  16 o 312.5986 12.36924 2933.303       226.3197 3111.040       320.4658 2756.455       319.6644 318.5344 17.21838 298.9223 18.32217 19.61209       25.14308 
1 1 1 -31 1  17 o 191.6518 16.97610 1132.996       188.8386 1111.500       257.3782 1158.060       277.9194 185.2272 24.27658 187.9297 25.90412 -2.702530      35.50177 
1 1 1 -31 1  18 o 327.6042 12.99006 3240.120       249.0861 3400.135       325.3206 3013.402       387.2358 332.4933 16.73698 308.2936 21.55285 24.19968       27.28831 
1 1 1 -31 1  19 o 98.71708 28.45622 337.0188       173.7538 180.2723       234.8175 526.6958       258.3087 81.84153 32.59241 119.5229 34.76842 -37.68142      47.65615 
1 1 1 -31 1  20 o 97.90285 27.71162 332.0420       166.2548 225.7564       228.9391 450.6338       241.8298 85.39191 32.70086 110.5905 33.99612 -25.19855      47.17078 
1 1 1 -31 1  21 o 47.39210 22.31451 -135.5602      159.9339 50.96943       215.7918 -362.8990      238.2308 68.41866 29.52007 50.07961 24.47888 18.33904       38.34905 
1 1 1 -31 1  22 o 71.22752 26.87273 147.5311       153.1918 140.1988       210.6592 155.7605       223.1741 75.15474 30.53833 77.56693 31.46401 -2.412186      43.84716 
1 1 1 -31 1  23 o 56.98734 24.48543 27.20491       147.2770 -106.1976      201.4955 180.2234       215.8019 55.50165 25.77397 78.80336 31.28965 -23.30171      40.53813 
1 1 1 -31 1  24 o 37.70845 18.49580 -243.5377      139.6109 -73.96519      195.8195 -418.8407      199.1008 56.26408 25.87105 41.90650 20.83105 14.35757       33.21511 
1 1 1 -31 1  25 o 84.30860 26.01536 250.5092       141.4531 289.4845       195.3736 207.5699       205.0681 88.87200 30.76877 79.72903 30.84008 9.142967       43.56406 
1 1 1 -31 1  26 o 46.78475 21.61331 -72.31091      138.9635 24.45109       188.6831 -187.0134      205.4315 61.44802 27.03585 51.16125 24.43347 10.28677       36.44080 
1 1 1 -31 1  27 o 131.8342 19.05506 568.6375       143.0600 570.1494       201.2827 567.0941       203.3681 124.7104 28.18567 124.0274 28.55028 0.6829147      40.11920 
1 1 1 -31 1  28 o 242.0172 11.96442 1793.575       169.2935 1920.820       241.1948 1670.013       237.6781 245.4560 16.85732 227.5994 17.95128 17.85666       24.62556 
1 1 1 -31 1  29 o 60.88006 25.10493 85.48241       145.0129 249.1689       208.7198 -67.26158      201.6227 81.90575 31.25854 55.91490 25.90227 25.99085       40.59586 
1 1 1 -31 1  30 o 176.7413 15.06827 989.6873       154.7014 1010.384       222.2601 970.2371       215.4601 170.9463 22.73220 167.7802 22.46021 3.166092       31.95644 
1 1 1 -31 1  31 o 60.08929 24.65035 89.14116       138.8653 24.66810       194.5268 156.1382       198.2979 60.31113 26.94129 71.30128 29.37518 -10.99014      39.85893 
1 1 1 -31 1  32 o 116.7775 24.01109 491.5735       158.9494 411.4369       243.6511 550.9456       209.7219 96.17789 34.27511 117.0849 30.30811 -20.90697      45.75330 
1 1 1 -31 1  33 o 97.11678 25.41323 355.1770       146.3925 154.2257       209.2594 547.7878       204.8708 70.65122 29.72293 116.5681 29.84299 -45.91685      42.11955 
1 1 1 -31 1  34 o 88.87267 26.24149 304.6625       146.2020 386.0742       211.2017 229.7554       202.5888 94.31335 32.01131 77.16283 30.41774 17.15053       44.15838 
1 1 1 -31 1  35 o 59.68033 24.99328 88.90918       146.9207 120.6033       206.4814 56.40674       209.0979 66.90680 28.87204 62.39771 27.89860 4.509087       40.14880 
1 1 1 -31 2  1  o 141.5620 40.18916 688.6554       349.1513 589.2422       471.4990 809.3581       519.5381 132.6340 47.63213 149.9840 50.20554 -17.34996      69.20560 
1 1 1 -31 2  2  o 266.1509 24.20001 2193.827       373.6149 2099.810       497.3941 2315.554       565.9650 253.8188 34.29012 264.1531 37.59272 -10.33423      50.88246 
1 1 1 -31 2  3  o 214.7141 29.15840 1468.654       357.6971 1054.034       488.0909 1949.673       525.7228 170.9537 47.15447 241.3880 38.42222 -70.43433      60.82607 
1 1 1 -31 2  4  o 340.0644 20.14620 3519.408       399.9948 3368.509       539.7781 3703.195       595.7037 326.8578 28.44116 341.4377 30.05517 -14.57993      41.37889 
1 1 1 -31 2  5  o 191.0463 31.51329 1184.545       340.7879 1392.344       456.0039 921.6666       512.8896 201.9898 39.90948 158.4375 49.64205 43.55226       63.69536 
1 1 1 -31 2  6  o 391.3687 19.72251 4656.435       451.2287 0.000000       0.000000 4656.435       451.2287 ?        ?        391.3687 19.72251 0.000000       19.72251 
1 1 1 -31 2  7  o 384.5223 15.29616 4434.124       344.2604 4242.328       543.4016 4562.713       444.9423 369.1313 25.25302 387.2955 19.65318 -18.16415      31.99941 
1 1 1 -31 2  8  o 334.4212 18.84465 3397.575       368.1051 3947.885       512.4478 2810.895       529.1104 356.2393 24.68030 295.4846 30.99307 60.75467       39.61929 
1 1 1 -31 2  9  o 204.2416 20.78610 1285.397       245.5163 1259.251       334.0281 1316.122       362.0922 197.3356 29.78889 200.5375 31.85113 -3.201874      43.61046 
1 1 1 -31 2  10 o 142.3035 29.23529 663.1597       235.8232 590.4959       311.6383 760.5198       360.7304 130.5238 38.25161 146.6712 40.56976 -16.14742      55.75923 
1 1 1 -31 2  11 o 230.2935 17.63187 1613.954       236.3281 1539.906       309.3977 1717.668       366.1651 221.4169 24.22095 231.8573 27.46058 -10.44046      36.61609 
1 1 1 -31 2  12 o 49.92230 24.01917 -274.9571      206.8598 -150.2260      278.3599 -428.8015      309.1436 66.62148 30.71017 59.40352 28.77205 7.217960       42.08260 
1 1 1 -31 2  13 o 118.9547 29.19892 472.7890       202.1687 492.3411       268.5702 447.2231       307.1090 119.0857 35.66666 113.9852 38.60204 5.100471       52.55691 
1 1 1 -31 2  14 o 52.25618 24.48745 -157.1635      188.6394 -130.5653      258.7460 -187.3405      275.6041 64.46082 29.67594 63.91753 29.83646 0.5432892      42.08178 
1 1 1 -31 2  15 o 169.9434 19.32346 899.4418       189.1765 1054.227       256.2932 714.1680       280.4010 180.9264 24.80618 142.8714 33.96540 38.05504       42.05942 
1 1 1 -31 2  16 f 223.7575 15.50136 1526.239       202.1645 1579.984       271.6368 1459.505       302.6841 224.2827 20.89132 212.7454 24.71904 11.53728       32.36477 
1 1 1 -31 2  17 o 224.6460 14.72578 1536.141       192.9418 1259.737       255.4902 1902.987       294.3367 198.6860 22.31090 245.9856 20.59131 -47.29959      30.36080 
1 1 1 -31 2  18 o 243.8541 17.92839 1845.675       254.6099 2856.680       556.7422 1578.315       286.3032 284.9192 33.98763 222.1218 22.27823 62.79735       40.63839 
1 1 1 -31 2  19 o 247.7816 15.63656 1884.573       226.0686 1643.014       308.0682 2166.437       332.7784 224.9193 23.71079 260.1959 22.01379 -35.27660      32.35442 
1 1 1 -31 2  20 o 231.1462 14.03695 1629.719       189.3903 1744.004       258.6416 1497.600       278.0916 235.5392 18.88141 215.3258 22.34572 20.21342       29.25473 
1 1 1 -31 2  21 o 95.84534 27.67906 320.0542       164.2521 314.9266       226.2837 325.7646       238.7963 94.36410 33.08527 95.66784 33.94857 -1.303741      47.40401 
1 1 1 -31 2  22 o 55.32542 24.25000 0.9078797      150.5000 54.45510       210.2741 -55.33428      215.5005 67.76001 29.18728 60.75747 27.63321 7.002544       40.19318 
1 1 1 -31 2  23 o 85.59843 26.82815 254.2775       149.7864 227.9144       210.9006 281.1105       212.7718 83.34444 31.51139 89.26943 32.00496 -5.924988      44.91420 
1 1 1 -31 2  24 f 220.8790 12.99008 1492.103       167.5310 1381.237       234.9711 1606.734       238.9277 207.1919 19.56892 224.8075 18.27956 -17.61563      26.77845 
1 1 1 -31 2  25 o 99.49166 25.34939 348.8324       148.3116 293.1067       202.3996 413.4505       217.9512 89.22538 31.29001 103.5508 32.34823 -14.32546      45.00525 
1 1 1 -31 2  26 o 138.2333 19.15340 622.2576       151.1108 567.5803       213.5572 677.0844       213.8490 123.5011 29.82400 137.5367 27.47375 -14.03566      40.54970 
1 1 1 -31 2  27 o 46.23436 21.51996 -84.99916      141.7351 13.77539       202.7307 -179.4391      198.2325 61.93210 27.59510 50.20221 23.98260 11.72989       36.56029 
1 1 1 -31 2  28 o 107.6345 23.68161 406.3717       145.4239 183.6956       199.0757 661.1560       212.9451 75.46816 30.02425 134.0739 27.98698 -58.60571      41.04542 
1 1 1 -31 2  29 o 135.9189 19.51225 613.5878       151.0847 624.4197       207.2781 601.3094       220.6835 129.3831 28.12109 124.3594 30.49528 5.023705       41.48202 
1 1 1 -31 2  30 o 149.3052 17.82433 728.7606       152.9977 556.1243       210.3311 922.7573       222.9639 119.0586 30.10838 161.6243 24.27129 -42.56567      38.67311 
1 1 1 -31 2  31 o 97.36401 26.20639 355.5234       152.9263 341.8652       218.3619 368.6705       214.2380 90.60726 32.42995 93.92387 32.23244 -3.316605      45.72343 
1 1 1 -31 2  32 o 120.9620 22.66441 516.3526       154.8778 490.5852       219.8396 541.7441       218.2299 107.6851 32.27299 114.5109 31.50874 -6.825722      45.10374 
1 1 1 -31 2  33 o 75.77923 26.89350 216.3051       149.8609 274.3209       217.2250 163.6154       207.0142 81.96806 31.73159 71.33955 29.75647 10.62850       43.50105 
1 1 1 -31 2  34 o 51.55398 23.25530 -8.223544      148.9023 -163.1323      218.9871 124.9865       203.0715 51.95134 24.92191 67.60405 28.89305 -15.65271      38.15638 
1 1 1 -31 2  35 o 79.18906 27.15593 246.7883       152.0611 255.3350       208.2330 237.0236       222.5768 78.99702 30.92933 77.27017 31.39309 1.726845       44.06982 
1 1 1 -31 3  1  o 263.8298 24.47577 2159.506       374.3955 2131.679       510.1857 2191.979       551.1324 255.1242 35.02098 256.6880 37.73543 -1.563751      51.48235 
1 1 1 -31 3  2  o 307.3963 22.13313 2898.672       396.3463 2561.396       520.3887 3364.602       611.6396 282.2350 32.00307 323.1988 32.71844 -40.96378      45.76781 
1 1 1 -31 3  3  o 340.8193 20.25441 3536.471       403.0244 4000.059       562.3558 3046.923       577.8865 357.5312 27.01924 307.5005 32.53692 50.03070       42.29291 
1 1 1 -31 3  4  f 220.4337 28.02050 1540.213       354.0715 1509.977       467.6968 1580.810       541.9297 211.0914 39.22181 211.6945 45.03536 -0.6031036     59.72047 
1 1 1 -31 3  5  o 316.3688 20.17839 3050.716       372.4442 2994.823       490.1062 3127.110       572.9820 308.6300 27.36025 311.8575 31.77134 -3.227509      41.92852 
1 1 1 -31 3  6  o 307.8947 22.58040 2919.952       404.9053 0.000000       0.000000 2919.952       404.9053 ?        ?        307.8947 22.58040 0.000000       22.58040 
1 1 1 -31 3  7  o 232.0162 21.81734 1659.817       293.3889 1829.305       445.4984 1530.013       389.8723 236.6573 32.99356 217.1072 31.54157 19.55011       45.64478 
1 1 1 -31 3  8  o 105.8456 35.60692 360.8909       261.2986 508.3791       380.4211 229.1587       359.5274 122.9319 42.91275 99.49170 40.08655 23.44017       58.72338 
1 1 1 -31 3  9  o 58.79588 27.72386 -231.4711      248.4778 -304.1950      350.3380 -157.8581      352.4731 69.52328 32.82388 75.94362 34.84240 -6.420341      47.86856 
1 1 1 -31 3  10 f 58.40412 27.16127 -164.1985      225.0323 -274.6371      286.6743 13.10308       363.2325 62.33842 29.50947 85.56129 37.58292 -23.22288      47.78373 
1 1 1 -31 3  11 o 104.6697 32.68174 362.6630       222.4972 171.1955       291.4941 629.9384       344.3989 89.02448 36.01436 133.3141 40.49077 -44.28964      54.18982 
1 1 1 -31 3  12 f 112.2728 31.37909 424.1806       214.5858 301.1021       276.5959 610.2519       340.0903 99.07238 36.35077 130.7311 40.33833 -31.65873      54.30064 
1 1 1 -31 3  13 o 151.8823 23.99984 736.9159       206.6859 699.9214       272.4548 787.0663       317.2221 142.9803 33.13942 149.7183 36.46984 -6.737991      49.27748 
1 1 1 -31 3  14 o 132.8751 26.31682 579.2053       197.8258 510.8390       262.8470 668.5276       300.4429 120.6232 35.06790 136.9590 36.67444 -16.33582      50.74221 
1 1 1 -31 3  15 o 55.78601 25.31077 -71.00689      179.4531 -146.4094      234.7390 35.03362       278.3737 59.94022 27.82962 76.25433 33.21057 -16.31411      43.32932 
1 1 1 -31 3  16 o 181.7290 18.24529 1024.847       191.8298 1194.247       259.2152 819.7504       285.2223 193.0684 23.36775 153.4102 32.70144 39.65823       40.19249 
1 1 1 -31 3  17 o 319.8553 12.66885 3081.170       237.1818 3112.208       289.4102 3017.686       413.9088 319.3934 15.49656 307.3066 23.13573 12.08682       27.84610 
1 1 1 -31 3  18 o 171.7946 17.82872 919.9090       177.0216 992.8859       242.8688 837.1978       258.5601 174.2630 24.43427 156.4216 29.26010 17.84140       38.12069 
1 1 1 -31 3  19 o 109.6945 26.93415 411.9608       171.9835 468.8121       230.0912 339.9872       258.8908 113.8410 32.72465 98.39709 35.30043 15.44392       48.13546 
1 1 1 -31 3  20 o 119.5774 25.29399 482.7851       171.8377 549.5276       235.5484 406.8537       251.2404 123.0541 32.25323 105.0339 34.90748 18.02022       47.52687 
1 1 1 -31 3  21 o 40.28290 19.80965 -299.2109      163.4698 -463.1536      225.5487 -117.8045      237.2578 45.04745 22.35472 60.31709 27.99565 -15.26963      35.82583 
1 1 1 -31 3  22 o 95.60982 26.74865 318.4820       155.8449 363.4510       225.4358 277.3196       215.6833 99.43990 33.06680 89.43399 32.20345 10.00591       46.15707 
1 1 1 -31 3  23 o 67.81315 26.42825 124.1827       151.4636 118.0724       206.9673 131.2289       222.2521 72.25712 29.91294 74.70687 30.96886 -2.449753      43.05641 
1 1 1 -31 3  24 o 84.28928 26.93711 249.2103       150.3523 -11.75559      206.9649 540.8434       218.7878 61.66452 27.64943 120.6806 30.81042 -59.01603      41.39774 
1 1 1 -31 3  25 o 53.90257 23.71317 3.274405       145.1149 -30.74354      200.7664 40.49028       209.9912 59.26057 26.84118 65.29958 28.63261 -6.039013      39.24634 
1 1 1 -31 3  26 o 150.0240 17.25137 718.8336       149.0277 610.2246       207.7640 833.9342       213.8831 129.7424 28.11802 156.0255 24.15365 -26.28308      37.06779 
1 1 1 -31 3  27 o 78.63111 26.69910 218.5316       146.9223 350.3627       212.0515 96.81348       203.7558 94.70348 32.07630 68.33949 29.06598 26.36399       43.28649 
1 1 1 -31 3  28 o 68.24652 26.07971 145.6923       145.4119 270.7404       207.1324 24.17611       204.1863 84.78944 31.39614 62.35728 27.74485 22.43216       41.89861 
1 1 1 -31 3  29 o 51.30831 22.99831 -13.15780      143.0627 -163.1713      195.5489 159.5993       209.8496 50.03455 23.87972 73.14389 30.18494 -23.10934      38.48859 
1 1 1 -31 3  30 o 143.3311 18.46154 677.2827       151.5880 474.4138       208.9856 902.5291       220.2103 108.2880 31.20603 159.7721 24.26277 -51.48404      39.52845 
1 1 1 -31 3  31 o 206.2619 13.30331 1327.663       160.0690 1402.525       228.5853 1255.634       224.2212 205.5492 19.18344 193.4009 20.05917 12.14830       27.75563 
1 1 1 -31 3  32 o 50.98278 22.57552 7.661965       133.5799 78.09525       189.3660 -62.09774      188.4583 63.39967 27.50367 53.62402 24.91031 9.775646       37.10761 
1 1 1 -31 3  33 o 62.91960 25.16397 118.3287       140.5736 55.26507       202.4750 177.0140       195.3201 62.43171 27.71171 72.05139 29.35770 -9.619682      40.37095 
1 1 1 -31 3  34 o 53.50713 23.71343 18.26678       147.6925 25.37432       208.7008 11.13631       209.0371 60.75167 27.45605 59.87709 27.22611 0.8745880      38.66647 
1 1 1 -31 4  1  o 344.2141 19.75049 3601.055       397.0360 3585.357       549.8511 3618.156       573.9087 337.5581 28.02705 338.1142 29.22876 -0.5561523     40.49489 
1 1 1 -31 4  2  o 318.8460 20.71457 3102.667       385.2568 2998.949       508.3533 3242.614       590.4988 308.2083 28.44431 317.5179 32.15299 -9.309631      42.92894 
1 1 1 -31 4  3  o 363.6531 19.79826 4020.313       420.6526 4414.422       571.4771 3554.273       621.4445 376.3253 26.05399 332.2946 32.29494 44.03073       41.49426 
1 1 1 -31 4  4  o 226.7794 27.07084 1622.853       352.9425 1649.918       448.7585 1578.962       571.4672 223.3601 35.43963 209.1628 47.65313 14.19736       59.38677 
1 1 1 -31 4  5  o 544.5180 18.58757 8971.978       592.7180 0.000000       0.000000 8971.978       592.7180 ?        ?        544.5180 18.58757 0.000000       18.58757 
1 1 1 -31 4  6  o 257.2214 20.33295 2024.155       304.2380 1388.006       447.5525 2570.665       414.8242 201.5545 39.27396 287.2086 24.87218 -85.65410      46.48730 
1 1 1 -31 4  7  o 352.8738 15.45348 3739.385       319.0376 4303.973       503.6447 3361.000       412.3119 373.3058 23.11773 330.9806 21.35486 42.32520       31.47156 
1 1 1 -31 4  8  o 217.0635 21.35678 1454.011       268.3603 1690.827       386.1955 1232.891       373.1768 229.4171 29.37644 192.4372 34.32464 36.97986       45.17916 
1 1 1 -31 4  9  o 66.64560 29.93772 -70.87081      243.8698 15.00921       328.2212 -176.7111      364.3728 82.20997 35.92820 76.36140 35.17686 5.848572       50.28167 
1 1 1 -31 4  10 o 178.6537 24.49472 1008.379       249.8962 809.8402       340.6407 1239.744       367.7245 152.3935 38.19321 192.6913 33.76974 -40.29781      50.98154 
1 1 1 -31 4  11 o 118.8124 30.17238 471.0043       210.6020 367.4356       274.3745 619.5291       328.5709 105.9727 36.47284 132.3837 39.40268 -26.41106      53.69208 
1 1 1 -31 4  12 o 221.4107 17.25062 1494.909       222.2364 1518.685       286.0189 1458.687       353.0354 220.3137 22.44949 211.4365 29.25282 8.877197       36.87421 
1 1 1 -31 4  13 o 83.55339 30.94561 199.7970       201.2514 290.3171       257.5598 57.88600       322.4881 96.46970 35.12757 82.91212 35.93050 13.55758       50.24885 
1 1 1 -31 4  14 o 50.09731 23.73880 -188.8087      186.4140 -166.0594      239.5571 -223.7304      296.8068 59.77244 27.87348 64.88531 30.50359 -5.112865      41.32069 
1 1 1 -31 4  15 o 229.2301 15.61100 1600.316       208.6189 1782.412       281.4790 1378.375       310.7514 239.0094 20.27183 205.8014 26.34999 33.20798       33.24559 
1 1 1 -31 4  16 o 260.4479 13.52356 2049.352       205.8602 2146.206       273.7228 1923.236       312.3463 263.7523 17.79980 246.5822 21.82361 17.17003       28.16208 
1 1 1 -31 4  17 o 465.1111 14.31723 6559.544       390.0756 6565.553       527.0391 6552.266       580.0657 458.7394 19.63505 455.1228 21.79527 3.616638       29.33545 
1 1 1 -31 4  18 o 191.3316 16.22285 1128.646       180.3245 1024.314       231.3763 1290.058       287.7912 178.1989 22.65037 198.0661 25.35595 -19.86717      33.99946 
1 1 1 -31 4  19 o 78.51479 28.27383 192.8442       166.2613 265.4633       221.0064 98.16045       252.3582 89.46769 32.54528 76.27040 32.38975 13.19729       45.91613 
1 1 1 -31 4  20 o 50.37499 23.31438 -96.28683      162.7855 143.8640       221.2929 -379.4810      240.3077 76.89084 31.27889 49.90102 24.43250 26.98981       39.69025 
1 1 1 -31 4  21 o 66.36502 26.83209 97.31452       161.6982 93.20493       221.2855 102.0229       236.8596 72.24325 30.48836 74.42784 31.48322 -2.184593      43.82617 
1 1 1 -31 4  22 f 52.86751 23.93697 -47.44501      159.5000 -25.48031      213.7687 -75.03022      239.5629 62.31909 28.00886 62.58566 28.71786 -0.2665634     40.11498 
1 1 1 -31 4  23 o 122.8737 22.83631 505.1361       158.5083 644.5061       218.6339 350.7146       230.1373 134.7770 28.54924 97.00101 33.40271 37.77600       43.94087 
1 1 1 -31 4  24 f 125.4069 21.73954 523.5087       154.0986 532.7924       219.9792 514.5632       215.9336 119.3197 31.11769 117.3465 30.94066 1.973152       43.88206 
1 1 1 -31 4  25 o 75.64421 26.50796 193.4167       145.2444 98.35519       207.6401 284.4952       203.2436 69.54783 29.45088 88.07322 31.31292 -18.52539      42.98666 
1 1 1 -31 4  26 o 71.24069 26.63764 161.5610       149.8001 -28.89192      200.8524 400.2978       224.8759 59.09593 26.79859 100.7978 33.00434 -41.70186      42.51412 
1 1 1 -31 4  27 o 99.28326 25.23187 352.3044       147.2020 268.8010       199.3747 452.3710       218.2543 85.17545 30.92210 106.9618 32.17927 -21.78640      44.62826 
1 1 1 -31 4  28 o 73.53159 26.66705 185.6146       148.2281 218.4528       202.6703 147.8467       217.3512 79.00469 30.63213 73.03680 30.47935 5.967896       43.21248 
1 1 1 -31 4  29 o 82.35194 26.31868 249.3581       143.5272 204.3732       182.7093 321.8541       231.9447 76.37997 29.22232 89.29230 33.19342 -12.91232      44.22383 
1 1 1 -31 4  30 o 211.5396 12.83664 1388.487       158.5056 1456.629       211.9812 1302.074       238.7138 212.1818 17.18173 196.0418 21.09396 16.13994       27.20601 
1 1 1 -31 4  31 o 143.9387 21.76182 714.2990       177.9767 684.1093       195.7871 857.9515       427.0825 137.4480 25.21720 120.8487 45.01905 16.59928       51.60060 
1 1 1 -31 4  32 o 148.7606 17.94398 731.0670       153.3928 499.9031       211.8454 985.8382       222.3997 109.7276 31.35549 166.9263 23.35575 -57.19877      39.09806 
1 1 1 -31 4  33 o 78.36699 28.00423 237.3983       162.7617 135.1055       221.2139 358.1366       240.3326 69.67802 29.97433 89.76810 33.70385 -20.09009      45.10443 
1 1 1 -31 4  34 o 116.9659 25.45576 511.6564       169.6501 634.8730       224.4451 347.4331       259.1152 124.0326 30.95506 87.61668 34.44269 36.41597       46.30890 
1 1 1 -31 5  1  o 322.3025 19.97585 3163.326       375.7332 3468.093       496.7408 2755.793       574.4166 333.6558 25.58028 290.4959 34.38172 43.15991       42.85386 
1 1 1 -31 5  2  o 262.0752 23.99667 2130.762       364.7417 2167.326       481.5965 2081.576       558.5648 258.6960 32.45504 247.8991 39.76305 10.79695       51.32670 
1 1 1 -31 5  3  o 234.0755 25.73107 1717.402       347.4174 1507.979       452.4919 2018.140       542.2422 211.6164 37.84906 244.4096 39.15001 -32.79320      54.45433 
1 1 1 -31 5  4  o 355.7025 19.26208 3843.772       400.3291 3929.445       529.4426 3729.397       611.7332 355.0025 25.60141 341.2523 30.90038 13.75018       40.12812 
1 1 1 -31 5  5  o 421.9487 18.12341 5386.279       447.4417 5149.445       578.6935 5738.331       705.5537 407.5864 24.31967 426.2281 28.38702 -18.64175      37.38007 
1 1 1 -31 5  6  o 240.9471 21.17943 1785.255       296.2437 1258.074       416.2192 2326.513       421.7392 192.0854 38.29119 271.6665 26.81970 -79.58115      46.74946 
1 1 1 -31 5  7  o 119.5330 34.61981 480.8607       256.6127 784.3369       363.1272 178.1259       362.6835 149.4882 40.44603 96.06415 39.66694 53.42406       56.65110 
1 1 1 -31 5  8  o 69.34054 30.65061 -31.95441      245.1857 -123.4891      331.3631 78.79628       364.4891 75.08961 34.19596 89.66748 38.52319 -14.57787      51.51117 
1 1 1 -31 5  9  o 148.6529 29.05312 722.1740       244.2056 850.3621       336.3484 579.2666       355.1345 157.0277 37.11360 128.5648 41.43009 28.46297       55.62258 
1 1 1 -31 5  10 f 282.9490 16.21389 2420.262       267.9315 2508.496       380.5642 2333.544       377.2820 283.8111 23.06236 273.1763 23.78593 10.63477       33.13069 
1 1 1 -31 5  11 o 152.0559 26.53403 747.5444       228.0207 842.3742       301.3970 620.6216       348.6873 157.5079 33.64964 131.6291 40.88379 25.87881       52.95076 
1 1 1 -31 5  12 o 301.5656 13.62152 2730.913       240.2898 2607.289       308.7574 2920.792       382.6532 292.0271 18.11706 306.7071 21.40751 -14.67999      28.04477 
1 1 1 -31 5  13 o 64.77737 27.69217 28.40211       186.6296 206.9784       232.7945 -292.8309      312.2273 86.41898 33.00450 64.17749 30.50086 22.24149       44.93996 
1 1 1 -31 5  14 o 54.04385 25.14817 -137.0042      193.3523 -96.45832      245.0778 -203.8448      314.6666 64.20319 29.30374 67.84007 31.73722 -3.636887      43.19676 
1 1 1 -31 5  15 o 142.1240 23.70821 653.2922       190.6565 877.5663       241.1979 279.7865       311.2667 163.7380 25.98421 96.71008 37.82938 67.02789       45.89380 
1 1 1 -31 5  16 o 129.1614 23.80822 544.7624       173.7046 526.4026       220.7854 574.5894       281.4114 123.0898 30.69130 125.3111 36.24234 -2.221306      47.49171 
1 1 1 -31 5  17 o 112.9592 27.21308 433.8805       178.1321 414.8399       227.3074 464.1838       286.7605 107.9440 32.91737 112.2249 37.29341 -4.280945      49.74286 
1 1 1 -31 5  18 o 263.9659 17.40214 2158.492       267.8993 2602.050       533.0952 2008.628       309.8691 270.5351 34.37439 251.3848 21.21573 19.15030       40.39439 
1 1 1 -31 5  19 o 181.6438 16.38419 1022.068       172.6662 1247.132       233.0166 748.0043       257.1346 198.0322 20.35261 145.4812 31.08112 52.55104       37.15192 
1 1 1 -31 5  20 o 120.5725 24.31895 487.0484       166.0258 469.2384       217.1018 512.1357       257.6670 113.8855 31.46263 116.6945 34.93160 -2.809021      47.01184 
1 1 1 -31 5  21 o 110.1194 25.75544 415.7906       163.3530 359.9302       220.7687 483.3768       242.8369 99.42308 32.70956 113.5730 33.89121 -14.14989      47.10127 
1 1 1 -31 5  22 f 43.27761 20.87591 -205.0726      158.6652 -112.3451      208.8911 -331.5229      243.9358 56.32833 26.18678 51.65816 25.14418 4.670177       36.30396 
1 1 1 -31 5  23 o 86.88976 27.31371 265.1602       155.1433 406.7532       216.9073 116.8499       221.9927 103.9929 32.23666 73.23566 30.69958 30.75723       44.51591 
1 1 1 -31 5  24 o 202.1006 14.93579 1269.037       175.7788 1196.951       241.0004 1350.975       256.9423 190.2154 22.00896 202.1533 22.02818 -11.93793      31.13897 
1 1 1 -31 5  25 o 115.7666 23.94859 461.9458       157.2299 430.1958       215.4851 498.0952       229.9306 105.5837 32.02002 113.0365 32.78014 -7.452827      45.82378 
1 1 1 -31 5  26 o 197.6498 14.16628 1212.779       163.1222 1141.449       225.0045 1291.804       236.8287 185.7509 21.02340 198.0278 20.69716 -12.27687      29.50180 
1 1 1 -31 5  27 o 84.22019 25.45680 254.1413       136.3591 331.2487       176.1710 138.9132       215.3604 93.73874 29.05133 72.66975 30.33381 21.06899       42.00143 
1 1 1 -31 5  28 o 87.32002 26.24572 279.7102       145.2363 144.6277       181.8360 517.7375       241.3759 70.34808 28.44979 111.7180 33.89090 -41.36993      44.24911 
1 1 1 -31 5  29 o 65.56143 25.68640 128.6007       143.7018 226.2319       185.2037 -19.09713      227.7941 78.82896 29.58889 61.57529 28.16020 17.25368       40.84727 
1 1 1 -31 5  30 o 125.8156 19.79618 532.5310       141.2514 558.7599       194.8377 503.4735       205.0746 121.4846 27.93101 112.4623 30.38086 9.022255       41.26909 
1 1 1 -31 5  31 o 121.0199 21.36401 505.3045       146.0897 469.9744       201.5866 544.3831       212.0114 107.8732 30.50786 116.3926 30.64377 -8.519409      43.24084 
1 1 1 -31 5  32 f 96.72785 26.25834 356.0358       152.7502 301.7331       202.3632 427.9513       232.8799 85.60780 31.14217 98.33479 33.60965 -12.72699      45.81968 
1 1 1 -31 5  33 o 79.99529 27.59307 248.7474       157.0677 344.7518       198.9727 90.00259       255.8573 90.37280 31.06117 68.62331 30.75809 21.74948       43.71334 
1 1 1 -31 5  34 o 47.04300 22.18755 -97.90593      159.3263 42.46565       207.9967 -297.2217      247.8492 61.71577 27.69173 50.26828 24.65376 11.44748       37.07614 
1 1 1 -31 6  1  o 307.1832 20.46067 2882.480       366.5093 3210.763       479.8379 2422.720       567.8525 320.6259 25.73385 269.8558 36.84105 50.77017       44.93878 
1 1 1 -31 6  2  o 134.2859 38.32938 618.5261       316.7366 348.4435       397.0487 1091.182       525.2521 110.9164 42.91045 171.3433 49.50164 -60.42687      65.51122 
1 1 1 -31 6  3  o 322.7637 20.39675 3181.751       384.1221 3953.951       508.8220 2158.511       585.7198 356.8976 24.45708 250.7086 41.27026 106.1890       47.97274 
1 1 1 -31 6  4  o 348.1163 16.40841 3649.323       334.0546 3382.699       500.2638 3863.882       448.7693 328.5650 26.17765 354.8119 21.66959 -26.24692      33.98294 
1 1 1 -31 6  5  o 324.0008 19.72576 3201.077       373.0504 3004.799       466.4710 3549.361       621.3770 309.6125 25.92738 330.8354 32.44192 -21.22296      41.52959 
1 1 1 -31 6  6  o 302.4556 16.44567 2759.496       290.6208 2907.512       418.3922 2621.497       403.9861 306.1384 23.48245 290.3026 23.94083 15.83588       33.53489 
1 1 1 -31 6  7  o 152.8059 29.05068 760.2631       250.8306 970.4216       343.1223 519.0540       367.5972 169.2418 35.69453 123.2903 42.22402 45.95148       55.28985 
1 1 1 -31 6  8  o 222.7230 20.32843 1526.219       262.6096 2048.364       368.5065 987.4285       374.3341 255.4183 24.91688 168.5472 38.68921 86.87108       46.01854 
1 1 1 -31 6  9  o 44.67717 22.18930 -507.6471      224.0118 -384.5884      295.9523 -672.7319      342.7829 59.29039 28.57780 56.89061 28.11073 2.399788       40.08620 
1 1 1 -31 6  10 o 116.6584 32.00682 459.3221       225.5549 749.9965       299.4534 78.16021       342.9103 147.7083 35.09055 86.86304 37.34256 60.84528       51.24269 
1 1 1 -31 6  11 o 51.83885 24.75308 -243.7894      210.6611 -239.3786      275.2323 -250.0283      327.3360 61.81792 29.15783 68.13406 32.03186 -6.316132      43.31534 
1 1 1 -31 6  12 o 104.8761 31.05413 370.9012       204.5101 372.3597       262.9919 368.6699       325.2782 105.2442 35.72120 106.4762 39.35904 -1.232040      53.15202 
1 1 1 -31 6  13 o 85.25792 30.19345 223.8007       188.8082 262.9013       231.9724 147.0562       324.9884 91.95126 33.35829 88.44666 37.11477 3.504601       49.90272 
1 1 1 -31 6  14 o 127.9826 25.70187 538.9467       186.2085 492.0270       226.8737 635.7957       325.9524 119.1431 31.85415 131.1788 39.29351 -12.03570      50.58327 
1 1 1 -31 6  15 o 198.0700 16.69242 1205.843       192.1017 1121.682       237.4673 1365.215       326.7800 187.9023 21.96248 202.7308 28.25063 -14.82854      35.78336 
1 1 1 -31 6  16 o 292.2465 12.94586 2576.068       221.3357 2527.850       290.2851 2643.031       342.0873 286.3436 17.36735 290.3331 20.21676 -3.989532      26.65225 
1 1 1 -31 6  17 o 408.0233 14.32788 5056.311       342.3283 4824.648       444.9789 5392.231       535.8328 393.0055 19.36555 411.4866 22.28676 -18.48111      29.52497 
1 1 1 -31 6  18 o 306.3231 11.83891 2823.848       212.2871 2942.081       284.7260 2675.852       318.5523 309.6794 15.72856 292.6928 18.65453 16.98657       24.40039 
1 1 1 -31 6  19 o 125.7394 23.63491 523.8206       167.8945 440.2709       211.6291 665.7113       275.7910 110.7203 31.23976 133.7910 34.81781 -23.07075      46.77823 
1 1 1 -31 6  20 o 95.72459 27.51027 318.6532       162.6259 177.9278       209.7796 530.5965       257.4464 79.06519 31.01787 118.7082 34.76102 -39.64301      46.58794 
1 1 1 -31 6  21 o 70.26125 27.07790 136.5993       157.6646 161.2397       206.6483 102.2758       243.8952 76.84982 30.58472 74.85787 31.81793 1.991951       44.13395 
1 1 1 -31 6  22 o 48.37141 22.48962 -97.62031      154.1233 65.99053       205.0091 -310.2859      233.7307 67.74123 28.99301 50.92031 24.74571 16.82092       38.11751 
1 1 1 -31 6  23 o 62.18174 25.84979 71.56395       155.4687 243.6376       207.3666 -149.3080      234.9373 84.38870 31.38265 57.57022 27.08777 26.81849       41.45622 
1 1 1 -31 6  24 o 148.9344 19.21340 718.4412       163.9163 629.7936       220.4137 828.1340       245.1852 131.3935 29.34518 152.0504 28.54315 -20.65683      40.93716 
1 1 1 -31 6  25 o 143.3755 18.11130 661.6063       148.8995 670.7219       198.1992 649.7957       225.6039 138.9150 25.25790 132.6874 29.72983 6.227600       39.01057 
1 1 1 -31 6  26 o 99.17075 24.93168 348.7439       144.8294 303.5102       187.0520 416.4533       228.8523 89.90077 30.12526 102.1406 33.28540 -12.23980      44.89375 
1 1 1 -31 6  27 o 59.66770 24.85632 70.97954       144.1793 135.6914       176.5190 -58.72543      249.9067 69.45027 28.05082 62.48379 28.90752 6.966484       40.28019 
1 1 1 -31 6  28 o 130.7934 20.52003 574.3809       152.2287 478.5460       186.4137 766.2216       263.7463 112.7829 28.24695 138.3912 32.96806 -25.60831      43.41409 
1 1 1 -31 6  29 o 141.0484 20.56437 670.7096       165.1084 630.1012       200.0747 757.4045       292.3352 130.7523 26.98621 131.5633 36.57161 -0.8109131     45.45039 
1 1 1 -31 6  30 o 157.3640 16.64274 800.0826       151.2717 853.0642       209.6367 742.5267       218.4993 155.6477 23.71357 141.2639 27.36211 14.38377       36.20799 
1 1 1 -31 6  31 o 81.06937 26.83049 248.3271       148.4665 227.3524       204.6968 271.6083       215.6584 78.14851 30.64529 82.74036 31.72494 -4.591850      44.10902 
1 1 1 -31 6  32 o 67.67516 26.31006 152.5013       149.8226 165.9204       191.5013 131.3274       240.5521 71.03023 29.02096 70.72838 30.83695 0.3018494      42.34541 
1 1 1 -31 6  33 o 174.8456 16.60859 996.3943       168.2666 759.2722       215.6274 1365.658       269.0832 141.6996 26.93107 194.8945 24.05134 -53.19489      36.10748 
1 1 1 -31 6  34 o 182.9318 17.78624 1109.633       188.4139 1284.427       288.4039 979.4825       248.8625 183.1084 27.72250 159.9662 27.51872 23.14223       39.06171 
1 1 1 -31 7  1  o 191.5152 29.68740 1183.746       322.6612 1319.215       408.8038 959.9146       525.4796 198.0029 36.55023 160.0068 50.26389 37.99608       62.14803 
1 1 1 -31 7  2  o 248.6841 23.26843 1919.131       335.4234 1980.042       422.1602 1814.839       552.4001 248.6021 29.53124 227.7644 42.92813 20.83772       52.10489 
1 1 1 -31 7  3  o 250.6619 23.23542 1950.017       337.6898 2654.408       431.2694 833.7560       542.9057 291.1485 25.51473 149.6232 51.31178 141.5253       57.30533 
1 1 1 -31 7  4  o 260.4420 21.76994 2091.333       329.4816 2319.066       409.1658 1671.304       555.6813 271.5866 26.00592 216.0028 45.31321 55.58388       52.24552 
1 1 1 -31 7  5  o 340.9086 31.48837 3757.578       622.4511 0.000000       0.000000 3757.578       622.4511 ?        ?        340.9086 31.48837 0.000000       31.48837 
1 1 1 -31 7  6  o 166.5609 26.91328 888.7567       253.9389 411.7312       333.4785 1547.127       391.7708 112.7023 40.10548 217.5942 31.62486 -104.8919      51.07427 
1 1 1 -31 7  7  o 215.8891 20.51383 1436.103       256.6164 1691.715       347.5136 1129.575       380.5535 231.1786 26.08652 181.7615 36.95999 49.41711       45.23878 
1 1 1 -31 7  8  o 80.50404 31.76700 147.0528       221.1606 221.3072       286.1809 36.95254       348.4765 92.80336 36.28123 85.23354 37.13893 7.569817       51.91943 
1 1 1 -31 7  9  o 105.6432 32.90136 372.1013       225.6519 372.0515       290.8019 372.1767       357.7365 106.7941 37.50166 109.1314 41.08887 -2.337234      55.62976 
1 1 1 -31 7  10 o 150.9374 25.31887 732.3693       216.1967 696.6757       276.6392 788.3765       346.5297 142.6947 33.61353 148.5196 39.21272 -5.824875      51.64791 
1 1 1 -31 7  11 o 66.41362 28.89422 5.404075       210.2484 63.69526       270.0444 -84.31602      335.0261 78.02186 33.33131 76.33672 34.61449 1.685143       48.05350 
1 1 1 -31 7  12 o 238.9380 16.88445 1743.563       235.0806 1973.530       315.3523 1455.935       352.6788 251.1701 21.61821 210.0015 29.44342 41.16853       36.52755 
1 1 1 -31 7  13 f 83.71699 31.23106 203.2120       205.6817 369.9665       267.6803 -37.16557      321.3842 104.2303 36.01862 76.61909 34.39690 27.61125       49.80450 
1 1 1 -31 7  14 o 231.4209 15.17820 1629.385       204.8659 1632.216       259.7964 1624.730       333.1404 228.9518 19.53453 223.6795 25.87152 5.272308       32.41810 
1 1 1 -31 7  15 f 222.9110 15.13913 1515.008       196.7425 1577.535       248.2782 1409.478       322.5468 225.0682 18.98626 206.4673 27.30614 18.60091       33.25813 
1 1 1 -31 7  16 o 275.0025 13.14873 2285.272       211.4516 2042.170       268.1719 2684.823       343.7989 256.6901 17.92635 292.4246 20.17014 -35.73447      26.98497 
1 1 1 -31 7  17 o 346.5827 12.95564 3628.894       262.8761 4012.030       325.1935 2906.428       446.5538 362.3263 15.33822 297.4011 25.85922 64.92514       30.06593 
1 1 1 -31 7  18 o 215.3550 17.38451 1442.250       217.7027 1578.917       273.5355 1206.088       359.5728 222.3531 21.23343 182.1487 34.93020 40.20441       40.87759 
1 1 1 -31 7  19 f 198.7459 15.50353 1217.585       179.2801 1038.090       230.0342 1495.292       286.1278 178.7876 22.43078 214.2869 23.13365 -35.49931      32.22275 
1 1 1 -31 7  20 o 46.74880 22.11102 -147.3935      160.3052 -156.3280      204.7123 -133.2291      257.7561 53.66375 25.26078 62.13633 28.95481 -8.472588      38.42509 
1 1 1 -31 7  21 o 107.2796 26.41728 399.6798       165.0892 300.8629       215.4639 540.1683       256.9091 92.03556 32.28341 118.9413 34.69554 -26.90574      47.39197 
1 1 1 -31 7  22 o 117.8945 24.46501 473.7190       163.6102 589.4573       214.9197 314.2047       252.3117 128.2373 29.22910 93.15951 34.62220 35.07780       45.31045 
1 1 1 -31 7  23 o 300.0083 11.71054 2729.732       205.6487 2641.895       282.7745 2828.344       299.6181 290.2471 16.68227 299.8394 17.10942 -9.592224      23.89624 
1 1 1 -31 7  24 o 107.2210 24.43068 399.3843       150.1891 486.0432       192.3302 263.9594       240.4309 115.4130 28.56909 86.47415 33.40845 28.93880       43.95813 
1 1 1 -31 7  25 o 48.65022 22.21846 -51.81770      141.1680 -104.4877      181.0197 29.93104       225.5198 51.74222 24.16215 65.90882 29.25116 -14.16660      37.93995 
1 1 1 -31 7  26 o 155.5774 17.13427 774.5385       153.7517 690.5942       196.8778 905.7712       246.1628 140.7981 24.74508 158.9210 27.40068 -18.12288      36.92040 
1 1 1 -31 7  27 o 104.9033 24.96865 393.4318       151.3871 337.9591       190.8530 487.5565       248.6059 93.42095 30.39335 107.9170 34.65320 -14.49605      46.09338 
1 1 1 -31 7  28 o 58.73009 24.92460 59.82369       149.2709 130.1109       189.8833 -53.87912      241.5094 69.25556 28.65934 61.26055 28.36823 7.995010       40.32511 
1 1 1 -31 7  29 o 164.6296 16.41684 871.0358       156.3959 955.7678       211.0995 767.9425       232.8515 166.9073 22.10880 142.4156 28.86815 24.49170       36.36165 
1 1 1 -31 7  30 o 88.49435 25.55151 291.1391       139.9840 237.9894       183.7805 364.5887       216.0447 79.44436 29.54402 93.42978 32.35512 -13.98542      43.81441 
1 1 1 -31 7  31 o 121.2501 21.46411 509.4655       147.0473 481.5070       194.3879 546.8668       224.8306 110.0267 29.51612 114.3771 32.17420 -4.350441      43.66212 
1 1 1 -31 7  32 o 143.8351 19.71826 701.3962       161.9613 874.5468       219.9019 496.1117       239.4391 154.8145 25.07667 105.2167 34.02840 49.59773       42.27022 
1 1 1 -31 7  33 o 51.96642 23.61787 -18.24596      157.0691 125.5706       210.1083 -200.4330      236.4816 68.14581 29.26223 52.51767 25.37079 15.62814       38.72925 
1 1 1 -31 7  34 o 48.77458 22.56669 -50.86032      152.3370 -199.6830      201.4308 147.9939       232.8406 47.97008 23.23203 70.51667 30.54482 -22.54659      38.37595 
1 1 1 -31 8  1  o 191.1737 30.43701 1188.161       329.8254 1570.620       421.7169 585.7045       529.2865 217.7337 34.14721 131.4851 49.87263 86.24855       60.44263 
1 1 1 -31 8  2  o 222.0303 41.77563 1720.694       524.0247 0.000000       0.000000 1720.694       524.0247 ?        ?        222.0303 41.77563 0.000000       41.77563 
1 1 1 -31 8  3  o 346.9459 15.27212 3616.876       309.9890 3815.151       464.9416 3458.205       415.9237 351.3266 22.68636 335.4865 21.24835 15.84006       31.08317 
1 1 1 -31 8  4  o 345.1368 14.56570 3572.479       294.1681 3390.533       413.4949 3758.930       418.5849 332.0158 21.34856 350.3032 20.46370 -18.28741      29.57235 
1 1 1 -31 8  5  o 353.5868 31.34657 4050.896       643.3063 0.000000       0.000000 4050.896       643.3063 ?        ?        353.5868 31.34657 0.000000       31.34657 
1 1 1 -31 8  6  o 105.6941 35.44471 365.2979       258.9377 315.8596       297.8966 518.0967       523.7138 102.1149 37.68042 125.8997 49.12086 -23.78474      61.90859 
1 1 1 -31 8  7  o 212.7747 19.92022 1394.190       245.6892 1185.625       319.2446 1697.162       384.7720 190.8150 29.47605 228.9536 29.32795 -38.13853      41.58083 
1 1 1 -31 8  8  o 186.0051 21.44695 1077.989       229.6809 897.0001       291.3764 1374.993       373.2585 164.1305 31.41405 203.3756 32.37845 -39.24507      45.11326 
1 1 1 -31 8  9  o 107.2375 30.71173 385.6206       203.0178 163.1836       253.9133 779.8463       338.0293 84.56492 33.82007 148.0758 38.55257 -63.51087      51.28448 
1 1 1 -31 8  10 f 178.0792 34.17292 1084.263       343.9233 0.000000       0.000000 1084.263       343.9233 ?        ?        178.0792 34.17292 0.000000       34.17292 
1 1 1 -31 8  11 o 118.0453 29.97952 471.8248       207.9088 678.5626       263.9386 133.8025       337.4936 140.4933 32.65527 88.78612 37.56995 51.70715       49.77819 
1 1 1 -31 8  12 o 79.76375 30.71380 168.0772       202.7251 133.6253       260.3135 221.1750       323.1679 81.74802 33.66552 93.43459 37.87623 -11.68656      50.67520 
1 1 1 -31 8  13 o 272.1310 14.72547 2244.891       234.1406 2201.365       309.4588 2303.172       358.0884 265.8627 19.99349 269.5921 22.86358 -3.729401      30.37240 
1 1 1 -31 8  14 o 89.31819 29.28385 264.2748       177.0090 380.9902       216.1453 26.60395       308.4394 104.6245 32.13608 78.17450 34.47422 26.45001       47.12960 
1 1 1 -31 8  15 o 120.2769 26.37129 485.7161       180.8844 721.2573       222.6341 28.25627       310.2663 146.9754 26.81611 78.03485 34.48721 68.94058       43.68605 
1 1 1 -31 8  16 f 159.7682 20.12492 809.3356       184.3964 768.7575       224.0204 894.5936       324.7201 151.9753 26.07247 156.0349 36.18805 -4.059601      44.60212 
1 1 1 -31 8  17 f 309.4918 12.08101 2885.465       218.8607 2661.203       282.0242 3225.001       347.0180 293.9095 16.42683 321.6063 18.47602 -27.69681      24.72255 
1 1 1 -31 8  18 o 302.7207 12.93675 2775.580       229.1477 2744.046       277.9593 2842.472       404.8416 298.5575 15.93229 295.8011 23.53024 2.756378       28.41672 
1 1 1 -31 8  19 o 146.8759 20.92610 696.2107       175.1635 828.7268       222.9120 482.3010       283.2137 157.6111 24.94489 112.0729 37.05577 45.53825       44.66965 
1 1 1 -31 8  20 o 282.5237 12.35223 2417.245       204.1737 2519.336       273.0688 2287.809       307.4738 285.0331 16.40457 268.4244 19.66803 16.60870       25.61135 
1 1 1 -31 8  21 o 63.49569 26.30970 74.97371       160.3093 79.56860       207.1648 68.11557       253.0937 69.16117 29.35764 72.81487 31.69026 -3.653702      43.19888 
1 1 1 -31 8  22 o 122.2283 23.57257 504.9174       162.8536 554.2052       215.0714 438.6790       249.3263 123.2979 30.02615 106.2394 34.75028 17.05855       45.92550 
1 1 1 -31 8  23 o 75.79453 27.21934 190.5877       153.9694 311.6184       205.4547 35.53713       232.5440 91.72179 31.56162 67.55020 29.85503 24.17159       43.44490 
1 1 1 -31 8  24 o 176.7838 15.21820 976.7111       156.2474 887.0917       199.6789 1118.245       250.9356 163.7701 21.29333 181.2345 24.21395 -17.46442      32.24471 
1 1 1 -31 8  25 o 111.2803 23.28845 426.4712       147.1008 610.0580       189.9948 151.7312       232.4245 131.8497 25.49264 75.42163 31.49983 56.42807       40.52301 
1 1 1 -31 8  26 f 110.5243 24.30286 428.8578       153.2342 509.6753       193.4254 292.6560       251.1032 117.2798 28.42227 87.95511 34.09805 29.32470       44.39034 
1 1 1 -31 8  27 o 86.12691 26.85063 273.2476       150.2453 220.8934       193.0986 353.5706       239.1789 78.99229 30.08548 93.21616 33.86451 -14.22387      45.29836 
1 1 1 -31 8  28 o 116.6691 23.03907 475.2517       152.0458 561.5745       201.4725 361.0424       231.7415 121.7987 28.68196 93.51381 33.41576 28.28490       44.03712 
1 1 1 -31 8  29 o 114.9654 22.30677 460.5315       144.9755 446.3387       193.0604 478.8835       219.5343 106.3215 29.78107 107.5649 32.25372 -1.243408      43.90005 
1 1 1 -31 8  30 o 141.0560 18.61533 659.6289       150.2418 773.6964       200.2879 512.8552       227.1946 147.7222 23.93689 110.3997 32.74163 37.32254       40.55846 
1 1 1 -31 8  31 o 132.1287 21.41865 604.0744       160.2964 649.0206       213.2178 545.6489       243.0961 129.2402 28.86060 111.3941 34.05544 17.84614       44.63975 
1 1 1 -31 8  32 o 155.1290 18.91125 806.8714       168.5019 1003.678       229.1874 575.3345       248.5886 167.1187 24.07761 113.3228 34.39680 53.79593       41.98656 
1 1 1 -31 8  33 o 88.76215 27.41783 310.6891       157.0676 476.8332       213.0340 112.8056       232.4937 105.4863 31.80470 68.48505 30.07551 37.00121       43.77300 
1 1 1 -31 9  1  o 201.4163 27.42312 1298.280       315.5327 1464.176       397.3686 1015.172       519.1003 210.1207 33.35940 163.0517 49.74870 47.06900       59.89810 
1 1 1 -31 9  2  o 73.45469 31.59025 28.68261       245.5786 234.1578       342.6041 -188.4586      352.1957 98.04618 39.26022 74.30531 34.35576 23.74088       52.16976 
1 1 1 -31 9  3  o 282.0777 18.51427 2425.011       304.5919 2315.654       359.3317 2704.176       574.1211 273.0879 22.63912 284.7515 35.12200 -11.66360      41.78618 
1 1 1 -31 9  4  o 261.7516 16.37257 2072.868       250.0784 2259.067       346.7898 1871.137       360.9645 269.9692 22.09604 243.2625 25.68858 26.70668       33.88419 
1 1 1 -31 9  5  o 271.5791 18.52934 2251.431       293.3577 2354.207       353.2819 2023.174       526.4860 275.5190 22.04731 242.7459 38.24581 32.77312       44.14551 
1 1 1 -31 9  6  o 153.3149 25.56396 754.0185       221.7706 969.2520       284.4964 420.6745       354.0529 172.1593 29.22069 113.1063 41.18541 59.05302       50.49838 
1 1 1 -31 9  7  o 46.90380 22.95371 -369.9101      211.3160 -370.5386      261.8658 -368.7368      357.7974 54.76633 26.51520 67.43026 32.21480 -12.66393      41.72348 
1 1 1 -31 9  8  o 266.5546 15.88593 2152.348       247.2149 2429.096       330.2822 1799.770       372.7950 280.5138 20.21166 236.3465 27.40214 44.16724       34.04979 
1 1 1 -31 9  9  f 70.25472 29.38910 65.16112       202.8066 27.73407       248.5701 139.6843       350.7533 72.97601 31.58497 90.59081 38.31570 -17.61480      49.65585 
1 1 1 -31 9  10 o 77.53878 30.07747 151.0965       195.4649 269.6169       244.4652 -58.96545      325.4576 93.41370 34.19057 76.26044 34.39224 17.15326       48.49558 
1 1 1 -31 9  11 o 64.08244 27.60748 19.76083       188.1837 16.77867       235.4144 25.03941       313.2030 70.16676 30.55024 79.39423 34.88563 -9.227478      46.37159 
1 1 1 -31 9  12 o 142.1071 24.29849 655.1359       195.2379 627.5597       243.5999 704.6645       326.4656 134.9449 31.37618 138.1973 38.73310 -3.252380      49.84695 
1 1 1 -31 9  13 o 69.42619 28.24490 94.11289       180.4646 -35.54768      221.8633 347.6402       310.2372 64.32276 28.74998 102.1062 38.30213 -37.78344      47.89170 
1 1 1 -31 9  14 o 49.88952 23.44110 -147.5395      174.8621 -62.64430      215.7936 -309.8780      298.4063 61.51379 27.84805 60.85412 29.16611 0.6596680      40.32587 
1 1 1 -31 9  15 o 65.32185 26.80583 77.01505       164.2823 99.11311       197.9584 28.12527       294.4461 71.41291 29.37820 76.23405 33.64809 -4.821144      44.66847 
1 1 1 -31 9  16 o 204.8058 29.49840 1431.104       344.1120 1224.504       577.3150 1544.954       428.5634 161.3354 52.88498 205.1655 36.97720 -43.83011      64.53011 
1 1 1 -31 9  17 o 260.2688 13.20004 2054.309       200.8296 2096.341       254.1695 1984.458       327.6572 260.3431 16.73528 247.8972 22.79200 12.44592       28.27622 
1 1 1 -31 9  18 o 264.2903 12.55234 2114.115       194.0052 1912.191       244.2888 2458.960       319.2428 248.2195 16.88143 278.9520 19.63929 -30.73250      25.89757 
1 1 1 -31 9  19 o 191.1613 15.85429 1131.397       176.1476 1235.806       225.6492 968.5175       281.8365 197.0176 19.79696 166.1171 30.03416 30.90057       35.97180 
1 1 1 -31 9  20 o 178.6295 17.05559 999.7804       176.5110 979.6708       225.2761 1031.758       284.0758 172.6353 22.80768 171.6061 29.27564 1.029205       37.11137 
1 1 1 -31 9  21 o 102.4294 26.72115 368.7749       162.1764 199.3575       206.2003 643.5345       262.5952 80.04443 30.93505 129.9249 34.05492 -49.88049      46.00777 
1 1 1 -31 9  22 o 139.4796 20.27226 634.9268       160.9787 789.7731       208.0831 404.1047       254.0534 152.8922 23.99525 101.7171 35.09257 51.17506       42.51189 
1 1 1 -31 9  23 o 195.6938 14.36852 1186.470       163.7576 1192.026       217.0654 1179.130       249.4796 191.9032 19.55984 187.4243 23.19075 4.478851       30.33807 
1 1 1 -31 9  24 o 123.8308 21.22532 511.4897       148.6021 457.1972       188.1666 601.4711       242.2415 111.5062 28.62857 124.5037 32.74446 -12.99754      43.49477 
1 1 1 -31 9  25 o 142.3830 19.08155 661.7045       155.3315 695.4698       200.4658 610.9727       245.7225 141.0709 25.15251 124.3611 33.10668 16.70986       41.57765 
1 1 1 -31 9  26 o 65.27642 25.85029 119.0271       146.9280 391.0448       190.3050 -282.4096      231.1853 100.8288 29.98147 50.38430 24.51375 50.44447       38.72742 
1 1 1 -31 9  27 o 201.9943 14.23889 1275.771       167.6001 1063.548       217.5986 1585.300       262.7903 177.7599 21.29571 217.8937 20.81708 -40.13374      29.78016 
1 1 1 -31 9  28 o 160.5790 17.49996 837.2499       162.1437 861.2072       217.6112 807.3483       243.1142 156.0236 24.59518 145.7113 29.46289 10.31229       38.37949 
1 1 1 -31 9  29 o 188.0566 14.41716 1114.399       157.7954 1095.541       206.8576 1140.646       244.0353 181.0856 19.80000 180.3566 23.63970 0.7289276      30.83627 
1 1 1 -31 9  30 f 147.1839 18.50846 717.5361       156.2405 650.1019       207.0636 806.6888       238.0846 131.0936 27.79566 145.0353 29.00438 -13.94168      40.17279 
1 1 1 -31 9  31 o 64.62943 26.08663 124.1981       152.5533 161.6512       197.5299 68.84108       240.1458 70.99525 29.29061 66.63955 29.83913 4.355698       41.81284 
1 1 1 -31 9  32 o 66.45542 26.10963 144.3448       148.8308 178.8796       195.4401 96.67216       229.6253 72.16806 29.38113 67.37108 29.72622 4.796982       41.79592 
1 1 1 -31 9  33 o 76.36848 27.65774 224.3335       159.3742 135.5637       219.4982 323.3162       231.7813 69.23884 29.82240 86.01229 32.91199 -16.77345      44.41368 
1 1 1 -31 10 1  o 266.7981 36.16282 2409.005       551.2881 0.000000       0.000000 2409.005       551.2881 ?        ?        266.7981 36.16282 0.000000       36.16282 
1 1 1 -31 10 2  o 212.3183 19.60290 1387.651       241.3399 1765.292       339.3456 1001.155       343.3011 236.4505 24.84156 171.1486 35.37196 65.30188       43.22359 
1 1 1 -31 10 3  o 194.6613 21.35268 1178.798       239.7749 1300.628       322.4004 1028.007       358.6795 200.5445 28.18860 172.5676 36.57758 27.97690       46.17918 
1 1 1 -31 10 4  o 170.8097 23.76111 923.3932       231.5933 933.3505       306.4923 910.1417       353.5754 166.7306 32.51226 160.9560 38.05890 5.774658       50.05524 
1 1 1 -31 10 5  o 305.2211 16.59489 2825.459       295.9394 2629.164       351.7204 3301.321       547.6257 291.7350 20.69122 318.9218 29.61693 -27.18680      36.12878 
1 1 1 -31 10 6  o 170.5098 25.10466 930.3527       243.5404 1049.888       275.5385 503.4990       520.6840 180.2527 26.88550 122.8106 48.65405 57.44214       55.58819 
1 1 1 -31 10 7  o 310.4292 14.07019 2899.224       255.4951 2736.288       337.1973 3118.869       391.5032 298.1981 19.38604 317.0154 21.17886 -18.81732      28.71172 
1 1 1 -31 10 8  o 215.6401 17.65992 1425.361       221.3865 1425.523       276.2550 1425.071       370.1190 212.8691 22.46676 206.3882 31.58052 6.480835       38.75674 
1 1 1 -31 10 9  o 50.34379 23.84541 -188.9265      187.7077 -174.3061      227.0818 -220.4682      333.5376 57.52923 26.92890 69.55335 32.58273 -12.02412      42.27056 
1 1 1 -31 10 10 o 83.46037 29.38614 214.9684       178.6431 192.5748       216.5764 262.6376       315.9861 83.39211 31.83760 96.17381 37.96483 -12.78170      49.54757 
1 1 1 -31 10 11 o 177.0636 20.05399 982.1597       204.5858 935.5273       259.1283 1059.330       333.3477 168.4950 27.14477 174.5333 33.78753 -6.038315      43.34092 
1 1 1 -31 10 12 o 220.2843 16.71554 1490.025       214.3387 1671.390       283.2543 1247.050       327.8545 230.3056 21.20916 192.1941 30.07151 38.11153       36.79842 
1 1 1 -31 10 13 o 131.4705 26.42464 577.1087       196.6710 499.3906       248.0010 708.8105       322.8406 117.9688 33.99395 137.3940 38.52087 -19.42519      51.37554 
1 1 1 -31 10 14 o 153.9592 22.18583 762.6276       194.5491 784.3462       249.6181 729.0200       310.5121 151.5928 29.13504 139.8311 37.21222 11.76173       47.26098 
1 1 1 -31 10 15 o 232.7501 14.91079 1655.224       202.4653 1843.991       261.7743 1374.186       319.4083 243.1299 18.49737 202.4767 27.61714 40.65324       33.23942 
1 1 1 -31 10 16 f 249.7110 14.13864 1899.694       206.2138 1940.477       266.1666 1838.458       326.1525 249.2515 18.33648 237.8243 23.69887 11.42717       29.96436 
1 1 1 -31 10 17 o 222.7012 13.93500 1512.654       181.0915 1275.397       218.6718 2030.561       323.0794 201.3106 18.73659 251.0839 22.16762 -49.77330      29.02522 
1 1 1 -31 10 18 o 157.4949 20.30597 795.3101       183.2001 946.2788       212.1197 352.1128       363.4429 171.0212 21.63165 100.4413 40.36184 70.57992       45.79308 
1 1 1 -31 10 19 o 159.7976 18.37760 808.4876       169.0984 883.9709       214.6893 685.1315       274.4512 163.9625 22.95426 134.8912 34.54472 29.07137       41.47572 
1 1 1 -31 10 20 o 95.56474 27.33873 321.7430       160.9583 327.0573       201.4627 312.3638       267.6397 94.98596 31.24648 93.58685 35.47204 1.399117       47.27164 
1 1 1 -31 10 21 o 86.52863 27.50517 263.2465       156.9290 77.86308       198.8377 569.4489       255.5451 67.72981 28.75627 121.1887 34.37471 -53.45885      44.81678 
1 1 1 -31 10 22 o 114.5881 23.88728 449.9443       155.3201 447.6506       199.4261 453.4807       247.6290 109.7838 30.08598 107.0701 34.60361 2.713753       45.85385 
1 1 1 -31 10 23 o 94.00268 26.21612 315.4849       149.9548 319.4878       191.8438 309.1982       240.4215 92.57613 30.49325 90.85044 33.79034 1.725685       45.51511 
1 1 1 -31 10 24 o 57.29032 24.04748 54.01339       136.4908 -57.06476      171.9650 243.1302       224.3835 53.24176 24.39339 83.39272 32.25912 -30.15096      40.44364 
1 1 1 -31 10 25 o 60.12048 24.98394 72.64581       145.1539 7.846349       180.3846 191.6890       244.4929 58.76562 26.11630 78.94952 32.58114 -20.18390      41.75634 
1 1 1 -31 10 26 o 82.13114 27.21915 246.3555       152.7842 324.9090       197.4440 129.1214       241.2060 91.36673 30.95173 73.18217 31.38771 18.18456       44.08172 
1 1 1 -31 10 27 o 81.30106 26.94482 243.0207       149.7198 485.0856       199.0656 -72.24866      227.1806 111.8596 29.80723 58.70448 27.29744 53.15514       40.41808 
1 1 1 -31 10 28 o 69.29173 26.14674 159.6937       145.0401 189.8542       185.5521 112.3201       232.5496 74.45482 29.18292 70.25647 30.47850 4.198349       42.19695 
1 1 1 -31 10 29 o 65.68952 25.75171 133.0218       144.5051 164.4818       187.2560 86.70351       227.2130 71.57919 28.89824 67.69135 29.72931 3.887833       41.46011 
1 1 1 -31 10 30 o 95.79279 26.23163 347.1678       151.6686 490.2830       198.6787 147.2795       234.8021 110.6270 29.91117 72.07040 30.94054 38.55659       43.03482 
1 1 1 -31 10 31 o 144.7496 18.11706 695.6916       150.4406 613.7201       193.9637 819.4584       238.3368 127.4789 26.79589 145.1114 29.01987 -17.63246      39.49902 
1 1 1 -31 10 32 o 132.5028 20.55409 604.3719       154.5541 549.5422       199.6633 686.3396       244.1246 117.4386 29.13095 127.3017 32.56931 -9.863045      43.69636 
1 1 1 -31 10 33 o 67.92284 26.23355 160.2576       148.2169 220.7633       192.8603 72.96404       231.6520 75.69214 29.72691 65.37668 29.28768 10.31546       41.73077 
1 1 1 -31 11 1  o 67.02859 30.02638 -54.42809      243.4553 -28.40733      277.8333 -140.4876      505.2704 73.04121 32.43901 90.07658 41.46903 -17.03537      52.64950 
1 1 1 -31 11 2  o 249.7397 17.69480 1904.885       257.4911 1919.766       346.1152 1886.441       385.3275 246.5051 24.25492 241.7976 27.67010 4.707550       36.79586 
1 1 1 -31 11 3  o 283.6170 32.49997 2676.031       530.8340 0.000000       0.000000 2676.031       530.8340 ?        ?        283.6170 32.49997 0.000000       32.49997 
1 1 1 -31 11 4  f 287.9074 14.85999 2501.584       250.0633 2487.086       331.5908 2520.702       380.7745 283.8108 20.05061 283.4286 23.10764 0.3822327      30.59395 
1 1 1 -31 11 5  o 198.2785 19.44501 1216.311       223.2129 1115.256       281.3146 1388.071       366.7539 185.7236 26.58433 203.7726 31.72066 -18.04892      41.38752 
1 1 1 -31 11 6  o 242.0292 16.03094 1780.437       226.2679 1483.728       287.0657 2267.169       367.6719 216.8984 22.91295 267.9340 23.64042 -51.03554      32.92222 
1 1 1 -31 11 7  f 169.1632 21.90361 902.9747       212.2097 1018.617       261.2809 678.8405       363.7510 177.4795 25.86198 135.0732 41.72487 42.40633       49.08978 
1 1 1 -31 11 8  o 172.8240 20.34210 934.6113       202.2374 903.5502       248.8943 994.9677       346.9500 166.4974 26.36654 167.7943 36.31237 -1.296844      44.87519 
1 1 1 -31 11 9  o 72.09795 28.94309 110.3268       186.6905 133.2452       221.8203 54.66593       345.6879 77.93595 31.45677 83.98077 36.78279 -6.044823      48.39940 
1 1 1 -31 11 10 o 187.0967 17.80406 1081.950       193.0080 1076.648       237.4758 1092.270       331.2788 183.9216 22.48274 177.7399 32.99474 6.181702       39.92651 
1 1 1 -31 11 11 o 134.9571 24.05185 593.6888       183.3868 739.1509       223.6655 295.3146       320.3352 149.4422 26.48937 97.95618 38.35895 51.48597       46.61647 
1 1 1 -31 11 12 o 74.75026 28.45152 152.8651       172.6239 73.26328       207.5703 331.3973       310.8580 70.44836 29.61807 100.1531 38.16574 -29.70477      48.30997 
1 1 1 -31 11 13 o 180.4830 17.52653 1011.302       183.1835 984.2956       226.9663 1061.768       310.2592 174.8951 22.65966 175.1181 31.36122 -0.2229462     38.69090 
1 1 1 -31 11 14 o 82.06004 28.91246 215.4960       172.9517 448.2672       212.6187 -239.7488      297.3441 112.5205 31.15556 63.06368 29.91168 49.45684       43.19001 
1 1 1 -31 11 15 o 123.6446 24.92381 510.9171       174.4850 505.4430       217.1510 520.8909       293.1149 119.3631 30.81093 117.0151 37.63267 2.347946       48.63673 
1 1 1 -31 11 16 o 157.0825 41.45556 988.1377       387.4117 0.000000       0.000000 988.1377       387.4117 ?        ?        157.0825 41.45556 0.000000       41.45556 
1 1 1 -31 11 17 o 326.0239 12.93052 3222.088       246.7481 3155.748       331.3361 3304.688       369.7198 318.0110 17.83693 323.4703 19.58061 -5.459320      26.48691 
1 1 1 -31 11 18 o 100.3529 26.78415 349.7865       160.5730 331.6673       194.2283 388.9106       285.4078 96.38665 30.59521 102.0222 37.00291 -5.635513      48.01336 
1 1 1 -31 11 19 o 109.0392 25.00168 407.0288       156.4658 425.6011       191.0467 369.1935       272.6815 108.8937 29.28300 99.36581 36.14975 9.527908       46.52202 
1 1 1 -31 11 20 f 45.58895 21.53110 -132.2954      150.9793 -107.1220      186.5033 -180.1588      257.1682 53.08384 24.70054 59.18011 27.99513 -6.096275      37.33422 
1 1 1 -31 11 21 o 40.19505 19.59082 -229.2899      149.4667 -164.6609      187.2462 -342.7911      248.1415 49.83323 23.66537 51.37080 25.08255 -1.537567      34.48455 
1 1 1 -31 11 22 o 76.50771 26.93691 197.8672       150.1042 65.95444       191.8311 406.1783       241.0638 65.39918 28.01935 101.5820 34.20060 -36.18278      44.21272 
1 1 1 -31 11 23 o 203.5291 14.31282 1284.838       169.7557 1211.488       219.0422 1395.144       268.6125 193.1034 19.61319 203.9122 22.85393 -10.80887      30.11609 
1 1 1 -31 11 24 o 83.63715 26.27601 250.5947       143.5992 285.3952       176.2567 181.8952       247.6448 87.76913 29.23980 78.54859 32.63692 9.220535       43.81934 
1 1 1 -31 11 25 o 102.3604 24.62387 372.1778       146.0125 375.6561       186.0918 366.6065       235.5155 99.07546 29.69273 95.31367 33.72498 3.761787       44.93364 
1 1 1 -31 11 26 o 64.78762 25.96916 115.2835       150.0590 43.45294       195.5998 218.0341       233.9409 62.66159 27.54987 79.75630 32.26414 -17.09471      42.42605 
1 1 1 -31 11 27 o 91.16648 26.65930 310.3607       151.5161 337.7009       202.2727 275.4078       228.7062 91.81857 31.32462 84.40667 32.59063 7.411896       45.20377 
1 1 1 -31 11 28 o 82.35914 26.57255 253.3352       146.0634 310.9575       186.8053 162.6871       234.3005 88.59201 30.10528 74.01012 31.30989 14.58189       43.43544 
1 1 1 -31 11 29 o 116.8320 23.50487 485.5950       155.4690 559.2661       198.0501 367.3033       250.9595 120.6607 28.45297 91.95950 34.45882 28.70124       44.68760 
1 1 1 -31 11 30 o 128.9996 20.71565 571.1433       151.4206 633.8131       190.9694 465.0289       248.4974 131.0366 25.76839 101.3525 34.71621 29.68406       43.23454 
1 1 1 -31 11 31 o 107.0804 23.20415 413.2716       141.5058 456.8321       170.1061 315.4001       254.9774 109.3100 26.75479 85.44043 33.98330 23.86961       43.25139 
1 1 1 -31 11 32 o 117.6402 22.44086 492.2267       149.1787 637.1635       193.5806 280.2923       234.0848 130.1384 26.26969 82.06232 32.58670 48.07609       41.85677 
1 1 1 -31 12 1  o 281.4685 23.01004 2491.342       376.5253 0.000000       0.000000 2491.342       376.5253 ?        ?        281.4685 23.01004 0.000000       23.01004 
1 1 1 -31 12 2  o 190.1532 20.99839 1130.544       230.2791 1212.755       302.2681 1016.830       355.4962 192.9736 27.48412 169.9862 36.73288 22.98737       45.87680 
1 1 1 -31 12 3  o 74.38644 30.27614 106.4842       207.4621 198.5674       257.4445 -64.07487      350.3732 87.41302 34.34088 78.68476 35.56638 8.728264       49.43949 
1 1 1 -31 12 4  o 237.8136 16.08006 1720.863       222.9532 1219.988       277.6796 2629.606       374.0243 195.1578 24.82178 289.6845 22.18405 -94.52670      33.29043 
1 1 1 -31 12 5  o 334.5495 15.88060 3397.804       310.6964 3301.176       363.8495 3657.962       597.0189 327.3303 19.03544 331.8623 31.03459 -4.532043      36.40734 
1 1 1 -31 12 6  f 265.9775 15.06621 2144.107       234.0561 2270.624       298.6419 1942.656       376.8440 271.2566 18.89044 244.8897 26.66892 26.36688       32.68150 
1 1 1 -31 12 7  o 76.94908 30.10442 147.1465       197.1479 261.1808       243.4963 -69.87224      335.9103 91.99155 34.04476 76.35025 34.63630 15.64130       48.56665 
1 1 1 -31 12 8  o 152.9793 22.82445 749.6591       198.5220 520.5288       241.5705 1226.308       348.4192 121.7645 33.00759 189.0085 32.60976 -67.24393      46.39932 
1 1 1 -31 12 9  o 203.5130 17.33842 1276.551       204.9749 1400.915       259.7925 1071.464       333.6179 210.7236 21.31420 175.1836 33.69505 35.54005       39.87043 
1 1 1 -31 12 10 o 89.36024 30.01916 263.7407       185.7266 358.7533       226.8983 70.82181       323.3166 101.6606 33.14394 82.11178 35.77598 19.54884       48.76927 
1 1 1 -31 12 11 o 218.1810 16.33481 1462.328       207.4997 1499.115       269.6461 1408.913       324.9212 217.4605 21.42064 205.8801 27.60498 11.58038       34.94108 
1 1 1 -31 12 12 o 231.0997 15.62126 1635.731       210.4779 1864.775       275.8896 1316.790       325.5605 244.0370 19.43704 197.4210 28.98044 46.61609       34.89505 
1 1 1 -31 12 13 o 111.0338 25.69182 415.4496       163.9814 448.4961       194.1069 333.0755       306.4595 113.6604 29.02193 99.21400 37.87370 14.44639       47.71467 
1 1 1 -31 12 14 o 159.2344 18.35172 796.4875       168.2506 813.7102       204.6865 760.6077       295.4360 158.3118 22.69394 143.4774 35.34464 14.83432       42.00307 
1 1 1 -31 12 15 o 58.07866 24.97842 22.28348       153.5475 76.46333       183.6433 -103.5921      279.9155 67.14840 28.01879 66.65378 30.75044 0.4946213      41.60099 
1 1 1 -31 12 16 o 181.4707 17.51318 1030.140       184.0769 1125.835       233.2387 872.0908       299.7461 186.7776 21.69566 154.2255 34.05128 32.55217       40.37563 
1 1 1 -31 12 17 o 136.3130 22.62745 611.2535       174.5539 722.0438       222.5625 434.1922       281.3606 145.1405 27.14409 106.7246 36.92529 38.41594       45.82880 
1 1 1 -31 12 18 o 218.6465 16.83074 1492.157       214.1625 1423.060       252.5182 1669.207       404.2137 210.2656 20.74743 214.1815 33.25770 -3.915970      39.19860 
1 1 1 -31 12 19 o 190.3081 15.78065 1126.759       174.5475 1352.168       221.6309 758.5942       283.2469 206.4259 18.50298 141.1170 34.51475 65.30894       39.16157 
1 1 1 -31 12 20 o 107.5387 24.52318 398.6144       151.2243 353.4610       185.7590 487.3444       260.3995 98.21708 29.71763 110.8534 35.45247 -12.63634      46.26030 
1 1 1 -31 12 21 o 57.81384 24.50503 45.85349       143.9825 -69.03441      175.9608 278.6441       250.4734 53.39474 24.54161 88.36869 34.11006 -34.97395      42.02127 
1 1 1 -31 12 22 o 67.98353 26.47317 132.1507       151.8809 191.6262       188.8963 23.38532       255.4464 77.11143 29.65937 68.66509 30.75839 8.446335       42.72887 
1 1 1 -31 12 23 o 113.7841 23.66261 447.4016       152.7514 411.8250       192.5752 507.7636       250.8414 104.3917 29.91613 111.7149 34.67269 -7.323280      45.79487 
1 1 1 -31 12 24 o 36.90377 18.19802 -262.5099      141.1543 -306.3064      173.9931 -178.1908      241.4210 41.10166 20.25589 56.01798 26.67888 -14.91632      33.49722 
1 1 1 -31 12 25 f 75.13082 26.54547 197.2482       145.8714 84.75322       183.6443 389.5650       240.1151 64.99283 27.61662 97.21082 34.08158 -32.21799      43.86607 
1 1 1 -31 12 26 o 90.56851 26.90685 305.7597       153.3282 264.3980       198.5679 366.8408       241.3035 83.52813 30.77380 93.98183 34.03278 -10.45370      45.88308 
1 1 1 -31 12 27 o 75.48553 27.38085 204.6558       156.2793 235.9234       204.7287 160.9949       241.9234 79.83121 30.83202 74.47957 31.67427 5.351646       44.20263 
1 1 1 -31 12 28 o 128.4095 20.97707 563.1688       152.5273 621.1548       194.6745 470.9821       245.4604 129.7710 26.47653 103.7135 34.50461 26.05758       43.49224 
1 1 1 -31 12 29 o 197.3823 14.31729 1229.996       164.6103 1196.232       214.9613 1277.866       255.9566 188.8496 19.69782 190.5470 23.39450 -1.697357      30.58278 
1 1 1 -31 12 30 o 149.7939 17.90268 742.2165       154.1657 654.0092       187.2911 927.5624       271.4916 134.0208 24.73954 151.1767 31.63842 -17.15590      40.16260 
1 1 1 -31 12 31 o 163.2229 16.10565 863.4177       152.1667 1058.122       184.8716 454.4180       267.9438 178.9173 17.85668 97.77917 35.79375 81.13813       40.00068 
1 1 1 -31 12 32 o 46.47007 21.44233 -48.99506      136.1846 -42.00074      168.9819 -61.95566      230.0277 51.78061 23.89003 57.69292 27.03690 -5.912304      36.07946 
1 1 1 -31 13 1  o 163.9567 24.15155 864.1600       225.2843 949.8741       295.1311 744.4812       348.7367 167.4349 31.20282 141.6685 40.14708 25.76640       50.84687 
1 1 1 -31 13 2  f 109.1887 31.12428 408.7841       208.9867 376.7718       261.2547 465.6693       348.2606 104.8903 35.60300 114.4968 40.95821 -9.606537      54.26922 
1 1 1 -31 13 3  o 235.9394 16.86617 1703.878       231.8427 1585.471       294.6555 1896.328       375.6518 223.7641 22.76981 241.4245 26.99241 -17.66035      35.31366 
1 1 1 -31 13 4  o 256.3981 18.11236 2024.630       270.6054 2336.367       314.1250 1127.572       532.8667 274.3694 19.65178 164.2202 50.46095 110.1492       54.15257 
1 1 1 -31 13 5  o 150.2990 25.99530 740.6270       220.8511 609.1808       245.4264 1300.131       506.3481 132.5689 31.94561 180.4063 47.29027 -47.83740      57.06918 
1 1 1 -31 13 6  o 116.3763 27.19589 454.3147       182.2608 398.4564       214.0543 601.5781       347.5585 107.2685 31.77253 126.4183 41.00658 -19.14970      51.87517 
1 1 1 -31 13 7  o 164.9545 20.14668 856.0045       190.8633 892.0024       226.9662 769.0721       352.7061 166.1917 23.97909 142.5876 40.36383 23.60406       46.94929 
1 1 1 -31 13 8  o 210.7971 15.96382 1360.522       195.8896 1475.963       240.5884 1133.471       337.4092 217.7090 19.03414 180.4454 33.10262 37.26360       38.18484 
1 1 1 -31 13 9  o 168.2438 18.63886 884.0965       180.8303 849.4593       217.8059 960.9374       324.4102 162.0010 23.61928 164.0936 34.79045 -2.092651      42.05051 
1 1 1 -31 13 10 f 77.83140 28.17017 183.5812       165.3015 269.4238       192.4329 -58.08997      322.8794 89.93010 30.55545 74.51560 33.86458 15.41450       45.61190 
1 1 1 -31 13 11 o 139.1399 21.95807 624.3792       173.2469 591.3810       205.2858 706.0453       322.9494 132.1644 27.38551 136.1941 38.64725 -4.029755      47.36640 
1 1 1 -31 13 12 o 249.6617 13.62525 1891.524       198.7456 1799.530       250.1343 2049.052       327.3196 240.6236 17.85210 252.9574 22.29130 -12.33376      28.55871 
1 1 1 -31 13 13 o 171.0257 17.24619 910.9597       170.6235 960.8646       204.8637 797.9571       308.2746 173.6609 20.50992 146.2983 36.14298 27.36256       41.55685 
1 1 1 -31 13 14 o 175.3104 16.60282 954.3453       168.6684 910.5026       204.5710 1047.424       298.0719 168.3525 21.18743 173.3110 30.43531 -4.958450      37.08390 
1 1 1 -31 13 15 o 230.6193 14.24093 1625.532       191.6729 1763.704       243.9367 1402.565       309.8767 237.7430 17.62045 204.4109 26.46932 33.33212       31.79788 
1 1 1 -31 13 16 o 90.44520 28.79500 284.6456       171.9369 543.8619       214.1116 -186.0131      288.5108 123.6296 29.86750 63.41995 29.89492 60.20965       42.25842 
1 1 1 -31 13 17 o 375.2454 13.94616 4301.490       306.3826 4363.629       385.2981 4194.628       505.2741 373.5042 17.63923 356.3566 24.32220 17.14761       30.04517 
1 1 1 -31 13 18 o 335.4286 12.21568 3411.130       239.9068 3697.484       350.9068 3159.817       328.7361 343.4322 17.47958 317.1122 17.74680 26.31998       24.90953 
1 1 1 -31 13 19 o 205.7799 15.14393 1313.645       181.4844 1105.051       237.8462 1604.341       280.7791 182.6237 22.69514 221.1529 21.93702 -38.52911      31.56426 
1 1 1 -31 13 20 o 138.9649 20.18988 631.4320       159.7360 579.0987       198.8814 726.5520       268.1272 127.6803 27.38107 137.4705 33.55538 -9.790268      43.30920 
1 1 1 -31 13 21 o 123.3957 21.57029 508.5477       150.4213 553.8397       186.3578 423.8719       254.8101 125.4293 26.18082 102.8672 35.15660 22.56211       43.83403 
1 1 1 -31 13 22 o 52.31372 23.33142 -13.81321      145.2780 -53.08881      178.8328 62.40776       249.1283 54.57030 24.95450 70.29340 30.99143 -15.72309      39.78939 
1 1 1 -31 13 23 o 47.82640 22.19426 -80.72749      149.0136 -12.48791      187.0517 -199.2623      246.5281 58.22400 26.18161 55.84015 26.69477 2.383854       37.39100 
1 1 1 -31 13 24 o 58.05566 24.89758 45.92104       151.7419 169.3150       196.8876 -134.5987      238.1408 74.03925 29.72281 57.33646 27.06774 16.70279       40.20084 
1 1 1 -31 13 25 o 45.51623 21.39527 -103.0030      145.9401 -121.8020      181.3298 -68.43298      245.8963 50.15860 23.66100 61.09357 28.40540 -10.93497      36.96903 
1 1 1 -31 13 26 o 48.52314 22.53055 -73.89357      153.9018 -172.2580      196.9707 80.28085       246.5976 49.69549 23.78535 69.31988 30.68543 -19.62439      38.82446 
1 1 1 -31 13 27 o 193.4863 14.37391 1178.282       161.9431 1220.789       206.7498 1110.801       260.4974 192.7470 18.51726 175.0275 26.18042 17.71951       32.06717 
1 1 1 -31 13 28 o 117.2772 25.47248 503.8606       170.1748 581.5944       197.9152 283.3989       333.3041 123.7300 27.93767 84.98847 36.67860 38.74155       46.10676 
1 1 1 -31 13 29 o 245.2182 13.65993 1886.808       195.6735 1822.363       274.6856 1953.202       278.8086 231.9429 20.40082 240.9133 19.91071 -8.970383      28.50666 
1 1 1 -31 13 30 o 168.5767 16.07143 919.2776       156.9715 1103.849       200.0525 623.5966       253.2057 181.4888 19.08010 118.5087 34.40873 62.98009       39.34477 
1 1 1 -31 13 31 o 150.5388 17.89738 752.0400       154.9219 923.5865       195.1857 459.9662       254.6849 163.8174 20.78306 99.13840 35.07134 64.67905       40.76683 
1 1 1 -31 14 1  o 128.9034 29.13172 564.3192       215.0318 847.8848       264.7582 14.75266       368.5808 158.4990 29.56950 83.40197 37.18180 75.09705       47.50623 
1 1 1 -31 14 2  o 175.1208 36.74010 1100.132       365.2774 0.000000       0.000000 1100.132       365.2774 ?        ?        175.1208 36.74010 0.000000       36.74010 
1 1 1 -31 14 3  o 71.38426 29.36889 92.75708       197.8546 -22.59196      244.2654 312.8204       337.3873 68.18484 30.34132 100.3662 39.34773 -32.18138      49.68742 
1 1 1 -31 14 4  o 227.3628 16.34492 1583.456       216.4936 1204.519       263.4335 2371.842       379.9771 193.6447 23.68878 272.0802 24.06050 -78.43546      33.76487 
1 1 1 -31 14 5  f 167.6360 22.45744 898.7580       215.2403 759.7964       234.6737 1635.075       540.1934 150.8808 27.53464 203.0347 46.38437 -52.15388      53.94131 
1 1 1 -31 14 6  o 287.7106 22.37348 2626.885       374.5544 0.000000       0.000000 2626.885       374.5544 ?        ?        287.7106 22.37348 0.000000       22.37348 
1 1 1 -31 14 7  o 128.4589 24.12535 541.0121       175.0833 568.6333       204.3205 464.6825       339.6548 129.7278 27.69800 112.4519 40.42228 17.27588       49.00143 
1 1 1 -31 14 8  o 66.25761 32.98871 -950.4426      507.5353 0.000000       0.000000 -950.4426      507.5353 ?        ?        66.25761 32.98871 0.000000       32.98871 
1 1 1 -31 14 9  o 163.6284 19.27455 842.4448       181.4223 737.5754       214.9584 1102.104       338.2457 149.3450 25.45411 176.1307 33.97626 -26.78578      42.45348 
1 1 1 -31 14 10 o 65.48647 26.55412 85.90801       158.8906 226.6843       186.4480 -287.5517      303.6790 84.09084 29.98124 62.00090 29.63666 22.08994       42.15693 
1 1 1 -31 14 11 o 118.7029 24.53629 469.3842       165.1648 556.8003       193.5450 235.1405       316.8255 128.3033 26.59552 91.46881 37.34463 36.83444       45.84695 
1 1 1 -31 14 12 o 76.94704 28.59092 177.5951       172.0447 165.5816       207.0043 204.4296       309.3784 78.15839 30.76667 88.42395 36.58593 -10.26556      47.80291 
1 1 1 -31 14 13 o 155.6489 19.95349 772.4783       177.9601 883.1786       221.2454 569.5899       299.5218 164.0253 23.68432 121.3100 37.92529 42.71531       44.71325 
1 1 1 -31 14 14 o 262.2172 13.05643 2086.752       200.1556 2137.118       253.4138 2003.221       326.3494 262.7273 16.53033 248.7229 22.61978 14.00436       28.01618 
1 1 1 -31 14 15 o 84.71638 26.80828 244.4088       149.2228 412.7859       174.8865 -206.3490      286.1451 108.8325 27.41712 62.26884 29.47822 46.56362       40.25747 
1 1 1 -31 14 16 o 211.0883 14.54698 1369.749       178.9879 1512.594       227.9672 1140.160       289.0124 219.3486 17.87580 181.7879 28.00624 37.56070       33.22490 
1 1 1 -31 14 17 o 157.1180 19.27435 791.0840       173.8893 740.4509       222.6427 870.2786       278.4450 146.3607 26.92985 154.5027 31.79031 -8.141998      41.66342 
1 1 1 -31 14 18 f 130.3888 23.10749 570.5121       170.2348 248.7239       219.0515 1061.227       270.5054 85.38242 32.15141 174.7758 27.28110 -89.39338      42.16600 
1 1 1 -31 14 19 o 119.7371 24.00590 490.3589       162.7026 521.3479       206.1867 439.2179       264.8754 119.2111 29.62186 104.8025 35.84357 14.40859       46.49963 
1 1 1 -31 14 20 f 69.60307 27.23925 138.4982       161.4500 -78.05541      205.0349 491.8847       261.9208 56.95415 26.29068 110.1889 35.58617 -53.23475      44.24450 
1 1 1 -31 14 21 f 66.31551 26.21277 119.6734       150.8174 110.1274       189.0237 136.3963       250.1854 68.74316 28.53399 75.70840 32.20423 -6.965240      43.02674 
1 1 1 -31 14 22 o 72.91101 26.53161 176.5276       146.8954 93.34051       179.9941 342.4330       254.1913 66.02331 27.65764 93.21927 34.73033 -27.19596      44.39753 
1 1 1 -31 14 23 o 47.92530 22.28921 -83.87635      151.5739 -53.23425      192.5634 -133.7835      245.7513 56.04877 25.72901 58.38035 27.54117 -2.331577      37.68949 
1 1 1 -31 14 24 o 81.74975 27.87255 245.4254       160.1429 190.7206       207.3546 326.2860       252.0979 76.32935 30.55028 90.17930 34.36866 -13.84995      45.98396 
1 1 1 -31 14 25 o 48.62265 22.35405 -54.91678      146.1212 -153.4390      180.2237 134.0988       249.6282 48.23499 22.99418 73.43829 31.71832 -25.20330      39.17633 
1 1 1 -31 14 26 o 116.7436 24.13197 486.1286       159.7621 560.5078       205.3778 372.1497       254.2379 120.4031 29.35428 93.13985 34.72708 27.26323       45.47135 
1 1 1 -31 14 27 f 102.9159 25.93156 393.3676       156.4267 505.0404       198.5620 210.6804       253.9665 113.4260 29.55591 78.38261 32.84520 35.04340       44.18550 
1 1 1 -31 14 28 o 73.30515 26.87002 193.8809       151.0729 235.6471       186.2306 113.4991       258.3553 78.69776 29.64272 71.09718 31.44337 7.600578       43.21315 
1 1 1 -31 14 29 o 58.18954 24.98174 60.80335       153.0750 47.15424       193.7224 83.49178       249.7639 61.21591 27.14264 68.16190 30.48234 -6.945992      40.81539 
1 1 1 -31 14 30 o 76.42683 26.49768 220.5711       144.9202 127.9346       180.6707 387.7135       242.6833 66.64775 27.79905 92.70122 34.04346 -26.05347      43.95161 
1 1 1 -31 14 31 o 60.58580 25.27973 93.49997       149.4869 183.7395       182.3152 -91.63006      261.1336 71.79044 28.67574 59.29113 28.09564 12.49931       40.14552 
1 1 1 -31 15 1  o 225.9449 17.34831 1574.498       228.1262 1763.465       289.7625 1266.418       369.9821 236.4616 21.11643 189.4772 34.56786 46.98442       40.50729 
1 1 1 -31 15 2  o 109.8457 29.78670 416.7007       196.6863 339.4221       239.4265 577.0888       344.9284 99.39571 34.07576 123.0935 40.90117 -23.69775      53.23592 
1 1 1 -31 15 3  o 183.5684 19.37913 1055.551       205.4876 958.5345       248.3380 1266.208       365.9375 170.9752 25.54863 189.6681 34.15331 -18.69292      42.65185 
1 1 1 -31 15 4  o 193.6103 17.86755 1162.880       200.5949 844.8865       239.3679 1912.968       367.6317 159.6622 26.49112 241.4918 26.38621 -81.82961      37.39000 
1 1 1 -31 15 5  o 228.4640 17.25624 1611.360       229.5048 1739.036       253.8883 1040.808       536.7060 236.5533 18.44624 153.1034 51.02389 83.44994       54.25589 
1 1 1 -31 15 6  o 156.5236 20.37421 776.9405       182.5954 847.1530       212.6366 579.7771       356.3229 161.9182 23.04149 122.2903 41.57829 39.62783       47.53593 
1 1 1 -31 15 7  o 85.72470 28.45938 243.1246       167.0058 350.3843       193.2580 -73.18584      331.8760 100.4109 30.29650 74.48795 34.03695 25.92297       45.56744 
1 1 1 -31 15 8  o 165.3690 18.70554 858.2682       178.2343 883.6813       210.6375 794.1994       334.4491 165.6705 22.24033 144.3503 38.71243 21.32019       44.64621 
1 1 1 -31 15 9  o 137.0878 23.46412 615.8155       181.8699 455.3625       226.1333 909.6896       306.0352 112.5759 32.46699 159.0807 33.84333 -46.50475      46.89857 
1 1 1 -31 15 10 o 106.4969 44.32813 385.5531       458.0090 0.000000       0.000000 385.5531       458.0090 ?        ?        106.4969 44.32813 0.000000       44.32813 
1 1 1 -31 15 11 o 128.5267 22.88085 542.2170       166.1479 623.0111       197.7876 348.5253       306.2422 136.1819 25.70660 99.72535 37.91018 36.45654       45.80405 
1 1 1 -31 15 12 o 240.0451 14.05571 1757.738       197.0115 1903.756       248.8490 1512.522       322.4826 247.4606 17.25475 212.5873 26.43475 34.87329       31.56774 
1 1 1 -31 15 13 o 228.0395 14.40114 1591.569       191.6168 1667.635       241.7599 1463.047       314.2530 230.7733 18.00516 208.9222 26.22368 21.85106       31.80986 
1 1 1 -31 15 14 o 111.4618 25.28500 423.5544       161.4771 717.2231       195.7202 -202.4801      285.7630 147.2511 23.44915 62.33150 29.49323 84.91959       37.67908 
1 1 1 -31 15 15 o 81.59190 34.31295 158.7596       278.7178 0.000000       0.000000 158.7596       278.7178 ?        ?        81.59190 34.31295 0.000000       34.31295 
1 1 1 -31 15 16 o 112.3143 23.36852 425.2415       148.9100 503.8620       181.1239 261.2648       261.5767 120.5008 26.36390 88.55233 34.66684 31.94848       43.55278 
1 1 1 -31 15 17 f 138.0008 19.93649 618.4219       156.6828 497.7848       194.0113 844.6540       265.6830 117.8336 28.40819 152.3718 30.79157 -34.53819      41.89446 
1 1 1 -31 15 18 o 223.7636 15.01934 1554.212       195.9604 1518.380       230.1979 1648.517       373.4505 218.4418 18.13193 213.1916 30.75678 5.250244       35.70359 
1 1 1 -31 15 19 o 158.5741 19.29330 814.2265       175.7394 1093.142       238.1891 480.9877       260.3533 180.6052 23.00921 109.1443 35.49781 71.46090       42.30270 
1 1 1 -31 15 20 o 54.91535 24.30866 -1.077934      154.7496 -89.83599      194.1845 153.3914       256.1721 54.60780 25.33936 77.45988 32.75251 -22.85207      41.41027 
1 1 1 -31 15 21 o 125.9428 23.58502 545.4764       167.8043 675.0367       218.8948 360.8202       261.3255 136.1777 28.33179 95.08346 35.25439 41.09429       45.22789 
1 1 1 -31 15 22 o 83.20260 27.85681 251.9265       159.9463 214.7101       201.1847 315.8581       263.6852 79.15215 30.56553 90.12167 34.94080 -10.96951      46.42318 
1 1 1 -31 15 23 o 242.9063 18.26521 1909.285       258.2981 2014.948       525.2021 1875.574       296.6542 207.8044 44.43985 236.3839 21.63820 -28.57945      49.42785 
1 1 1 -31 15 24 o 149.6957 19.26103 739.9725       165.1841 969.2540       216.0699 417.4994       256.2457 168.3752 22.43903 98.79597 35.15599 69.57926       41.70676 
1 1 1 -31 15 25 o 70.67242 26.20682 169.8217       144.4142 126.4324       178.8034 251.2330       244.9215 67.71812 27.89592 82.08213 33.08115 -14.36401      43.27291 
1 1 1 -31 15 26 o 97.73831 26.11569 356.1875       152.5515 341.2592       194.0082 380.3682       246.9163 92.06418 30.67707 93.94724 34.36543 -1.883064      46.06588 
1 1 1 -31 15 27 o 49.26656 22.58123 -43.03486      147.5640 14.37127       184.1121 -146.1543      246.7592 58.29483 26.11299 56.55649 26.94570 1.738338       37.52278 
1 1 1 -31 15 28 o 57.91063 26.83879 -43.82281      216.8297 -768.2755      460.7549 162.2531       245.7415 58.86996 29.61315 73.39382 31.58283 -14.52386      43.29450 
1 1 1 -31 15 29 o 102.6623 26.17494 400.4830       158.0544 357.0137       206.7791 461.5706       245.1273 91.57202 31.65656 100.6369 34.47974 -9.064835      46.80801 
1 1 1 -31 15 30 o 170.2917 16.83522 948.5109       165.9392 1027.401       218.6982 841.4650       254.7534 170.9293 22.35109 143.7761 31.11678 27.15320       38.31220 
1 1 1 -31 16 1  f 70.04619 28.55617 98.97202       184.9212 -15.60745      217.7023 395.8360       350.4196 64.74033 28.73574 106.1487 40.50442 -41.40839      49.66236 
1 1 1 -31 16 2  o 228.6179 16.16626 1605.358       215.3577 1725.714       263.5835 1363.686       373.5063 234.8495 19.30754 196.8341 33.55791 38.01541       38.71581 
1 1 1 -31 16 3  o 109.0532 28.95501 411.1323       188.2702 317.8667       205.2421 906.1236       472.8291 96.05567 31.53509 145.3824 47.87134 -49.32673      57.32475 
1 1 1 -31 16 4  o 154.7501 50.37426 1067.875       524.2363 0.000000       0.000000 1067.875       524.2363 ?        ?        154.7501 50.37426 0.000000       50.37426 
1 1 1 -31 16 5  o 114.2247 26.89600 443.4750       177.1758 439.9489       205.5748 453.6582       349.3532 111.8830 30.49959 110.4537 40.79670 1.429375       50.93718 
1 1 1 -31 16 6  o 198.2518 16.50331 1213.654       190.1454 1069.890       221.9584 1610.127       368.5970 183.2323 21.03577 217.3044 29.69859 -34.07204      36.39382 
1 1 1 -31 16 7  o 147.4891 22.59111 706.2609       189.1966 785.5275       226.7229 524.4703       343.3492 153.3035 26.15463 116.2482 40.75482 37.05532       48.42541 
1 1 1 -31 16 8  o 49.13977 23.03298 -131.4829      167.0771 -214.5385      192.1587 125.8339       338.2281 49.12270 23.50631 85.24283 36.86885 -36.12013      43.72480 
1 1 1 -31 16 9  o 208.2186 16.10495 1338.219       195.1384 1456.573       243.4347 1125.449       326.3980 214.8121 19.53643 178.1319 32.43788 36.68027       37.86672 
1 1 1 -31 16 10 o 42.13042 20.36592 -212.4441      152.9921 -133.6013      179.2050 -424.3727      293.8080 51.01096 23.89213 55.70411 27.21881 -4.693150      36.21736 
1 1 1 -31 16 11 o 50.68429 23.28601 -79.34979      158.1863 -86.73245      188.6111 -61.84137      290.4587 55.25362 25.40057 69.77287 31.86716 -14.51925      40.75174 
1 1 1 -31 16 12 o 84.28339 38.58667 2.131124       429.2275 0.000000       0.000000 2.131124       429.2275 ?        ?        84.28339 38.58667 0.000000       38.58667 
1 1 1 -31 16 13 o 142.4761 21.87410 663.6280       176.9456 548.6912       216.9508 891.9988       305.8102 123.7005 30.17724 154.6379 34.58746 -30.93743      45.90161 
1 1 1 -31 16 14 o 126.3854 23.84189 536.3268       170.2428 510.6894       211.0503 584.0809       288.0417 118.8302 30.21938 121.5450 37.05294 -2.714767      47.81350 
1 1 1 -31 16 15 o 109.4977 24.45985 409.8884       153.1083 463.8172       182.6224 282.3039       280.8940 114.6141 27.51719 90.90154 35.82217 23.71255       45.17105 
1 1 1 -31 16 16 o 143.9452 18.69258 665.0645       154.0803 834.4957       191.1981 351.2046       260.2284 159.8166 20.89937 96.32943 35.27279 63.48717       40.99942 
1 1 1 -31 16 17 o 93.33124 26.78885 310.3355       154.3006 326.3238       198.5362 285.9467       245.2080 93.81677 31.02572 89.23080 33.92225 4.585968       45.97080 
1 1 1 -31 16 18 o 96.50515 25.81053 329.7786       148.9202 210.8815       183.5699 558.6549       254.6925 79.29485 29.51962 118.6517 34.52685 -39.35683      45.42589 
1 1 1 -31 16 19 o 69.22861 26.09032 147.0594       144.3134 121.3335       180.6402 192.4468       239.9366 69.15489 28.21204 79.69019 32.51271 -10.53529      43.04644 
1 1 1 -31 16 20 o 81.69546 28.29014 238.1925       165.1679 224.3079       211.1151 260.1010       265.1905 80.98296 31.30054 85.93723 34.49664 -4.954269      46.58049 
1 1 1 -31 16 21 o 177.4817 17.48470 1010.129       179.6353 1089.943       233.8288 895.1879       280.6059 179.3781 22.73693 152.2901 32.41348 27.08795       39.59295 
1 1 1 -31 16 22 o 75.01994 27.76991 192.9918       162.0255 133.9631       208.0814 283.9031       258.2321 71.37714 29.80720 86.59838 34.27784 -15.22124      45.42510 
1 1 1 -31 16 23 o 76.09348 27.74331 204.2936       160.7296 256.6996       204.7569 120.1583       259.4403 82.85490 31.10921 73.38115 32.00861 9.473755       44.63557 
1 1 1 -31 16 24 o 58.66919 24.98739 59.17866       150.9461 237.3355       186.9760 -274.2214      255.7806 80.00520 29.79065 53.16871 25.84941 26.83649       39.44204 
1 1 1 -31 16 25 o 105.6224 24.39659 402.2589       148.0795 390.2606       181.5146 426.1328       256.0444 99.82616 29.17588 98.43795 35.12995 1.388206       45.66558 
1 1 1 -31 16 26 o 79.78291 26.94671 238.3404       149.6486 229.2454       188.4525 253.8653       246.2146 78.39743 29.75372 81.58205 33.06451 -3.184624      44.48085 
1 1 1 -31 16 27 o 74.85883 26.77752 206.4078       148.8531 46.67794       185.7721 492.8869       248.7906 60.62868 26.74494 104.6740 34.73529 -44.04536      43.83870 
1 1 1 -31 16 28 f 46.74072 21.68576 -62.94116      142.1470 -143.3007      179.2087 73.39167       233.4214 47.83926 22.83978 66.34826 29.58347 -18.50900      37.37429 
1 1 1 -31 16 29 o 82.17056 27.80156 264.7282       159.2961 374.7685       207.6756 107.4502       248.2812 93.49737 31.74287 69.30061 30.72762 24.19676       44.17914 
1 1 1 -31 16 30 o 167.0976 16.98809 918.0638       164.1693 741.1125       210.6157 1192.034       262.0688 139.7106 26.67727 179.1715 25.67262 -39.46089      37.02378 
1 1 1 -31 17 1  f 145.1555 23.58361 689.0156       193.8830 671.4880       230.2094 731.7834       359.6015 139.6913 29.04793 135.8183 41.39979 3.873016       50.57396 
1 1 1 -31 17 2  o 147.3238 23.18040 707.3281       193.6737 547.8152       228.0501 1120.041       366.8229 124.3298 31.30104 173.9495 37.09019 -49.61967      48.53284 
1 1 1 -31 17 3  o 268.3856 16.04481 2213.779       251.3953 1975.767       286.3898 3013.072       524.8206 250.6617 19.63802 296.3800 30.63438 -45.71826      36.38842 
1 1 1 -31 17 4  o 156.7672 21.56536 790.2064       193.0243 710.0136       208.3790 1274.977       512.3358 146.2077 25.21188 171.2409 48.70604 -25.03317      54.84448 
1 1 1 -31 17 5  o 171.2258 18.16949 918.4771       179.6761 721.0848       205.4502 1560.461       370.5131 147.6988 24.58166 212.5281 30.60734 -64.82928      39.25643 
1 1 1 -31 17 6  o 125.6423 23.41078 520.4174       166.1600 531.5322       188.9624 482.5215       348.9169 125.1124 26.57415 111.9686 40.86812 13.14385       48.74822 
1 1 1 -31 17 7  o 92.90667 29.19102 298.6526       177.2236 333.3547       205.2225 196.8669       351.4720 97.22614 31.50814 90.26656 38.27461 6.959579       49.57528 
1 1 1 -31 17 8  o 64.88921 26.90795 72.92346       167.8637 256.0110       192.4846 -508.5719      343.0359 87.30120 30.52134 59.07462 28.97918 28.22658       42.08735 
1 1 1 -31 17 9  o 113.5919 23.84978 431.1058       153.8171 391.5129       173.9271 573.2337       329.5323 106.1120 27.66756 119.9418 39.98128 -13.82983      48.62094 
1 1 1 -31 17 10 o 66.46351 26.12696 109.7359       149.0982 198.4734       170.7467 -175.1580      305.9429 79.00839 28.62562 65.95807 30.99586 13.05032       42.19206 
1 1 1 -31 17 11 o 109.2364 25.08126 406.6014       157.2837 398.2988       187.9030 426.0340       287.4701 105.7344 29.29348 105.6100 37.26945 0.1244278      47.40380 
1 1 1 -31 17 12 o 172.3646 18.14575 938.9535       180.6828 924.7631       225.1809 964.6047       302.7525 167.0415 23.64592 162.3974 32.91609 4.644119       40.52898 
1 1 1 -31 17 13 o 233.6171 13.75879 1671.031       187.6758 1768.514       241.0975 1521.131       298.9706 237.3674 17.44070 213.6636 24.28936 23.70378       29.90236 
1 1 1 -31 17 14 o 77.95559 35.79639 -12.18949      373.1369 0.000000       0.000000 -12.18949      373.1369 ?        ?        77.95559 35.79639 0.000000       35.79639 
1 1 1 -31 17 15 o 60.07759 28.32077 -158.7864      258.9839 0.000000       0.000000 -158.7864      258.9839 ?        ?        60.07759 28.32077 0.000000       28.32077 
1 1 1 -31 17 16 o 84.18404 33.74726 229.1839       253.4358 0.000000       0.000000 229.1839       253.4358 ?        ?        84.18404 33.74726 0.000000       33.74726 
1 1 1 -31 17 17 o 108.9968 40.90239 522.1493       353.8607 0.000000       0.000000 522.1493       353.8607 ?        ?        108.9968 40.90239 0.000000       40.90239 
1 1 1 -31 17 18 o 80.05949 27.19306 224.4414       152.4104 206.9921       193.3238 253.0964       247.7398 78.89138 30.08953 85.35284 33.63984 -6.461456      45.13335 
1 1 1 -31 17 19 o 196.4227 14.72790 1202.980       168.4260 1326.239       219.7292 1027.395       262.2537 202.7084 18.69312 170.0450 27.21441 32.66342       33.01601 
1 1 1 -31 17 20 o 85.35208 27.38253 265.6150       155.2538 114.5156       190.0677 568.5646       269.1301 68.67733 28.56858 116.2824 35.88480 -47.60506      45.86810 
1 1 1 -31 17 21 o 57.41733 24.53687 46.74001       146.4267 61.28749       177.5112 15.76422       259.0259 62.42092 26.85157 67.30289 30.48546 -4.881977      40.62475 
1 1 1 -31 17 22 o 206.0717 15.43350 1341.423       185.1685 1589.966       245.1506 1011.264       282.5489 220.2784 19.16690 162.8779 30.70467 57.40053       36.19595 
1 1 1 -31 17 23 o 65.46466 26.83098 113.5604       164.3303 108.2453       210.4155 121.8715       263.1153 68.65018 29.37722 73.24382 32.08500 -4.593643      43.50250 
1 1 1 -31 17 24 o 56.09660 24.66173 24.12613       156.7130 40.50240       198.3586 -3.071984      255.6308 62.13793 27.51286 64.84973 29.72273 -2.711803      40.50183 
1 1 1 -31 17 25 o 71.34776 26.76823 175.5677       151.5387 238.6269       187.6996 57.52182       256.8116 79.58784 29.80550 68.09351 30.64372 11.49434       42.74817 
1 1 1 -31 17 26 o 94.78852 25.78826 337.3993       147.1402 274.2580       177.9654 473.8092       261.5783 83.46671 29.33510 101.6787 35.57777 -18.21194      46.11210 
1 1 1 -31 17 27 o 113.5215 23.71805 464.9948       152.8113 337.3962       188.7131 708.0022       260.4287 90.63419 30.25679 127.8919 34.09950 -37.25774      45.58782 
1 1 1 -31 17 28 o 167.0598 16.49207 907.2858       159.4782 1021.945       200.9938 712.4232       262.0249 173.3839 20.14058 127.6421 34.28043 45.74178       39.75916 
1 1 1 -31 17 29 o 76.07410 27.65429 222.0643       159.5334 181.5934       197.3584 298.3655       270.9879 72.15975 29.46942 83.19424 34.31384 -11.03449      45.23147 
1 1 1 -31 18 1  o 75.18080 28.99005 156.5558       180.7907 59.89224       210.6918 426.4636       352.0659 69.01435 29.46117 107.2560 40.67682 -38.24162      50.22513 
1 1 1 -31 18 2  o 105.4593 28.54477 387.3872       180.8245 179.5090       209.9089 985.4986       356.0553 79.78214 31.10662 160.8871 38.29106 -81.10499      49.33383 
1 1 1 -31 18 3  o 163.6121 21.81375 863.6961       204.1024 927.8801       227.4627 598.4811       462.3766 168.3417 23.69396 119.8071 46.31801 48.53458       52.02655 
1 1 1 -31 18 4  o 272.0460 15.11235 2267.561       240.1678 1966.844       270.9549 3369.844       518.7575 250.5879 18.56878 315.7465 28.31430 -65.15862      33.86000 
1 1 1 -31 18 5  o 180.7293 16.76866 1015.170       175.7098 989.2204       203.2088 1092.060       349.7900 176.3349 20.00255 171.7363 35.88731 4.598602       41.08529 
1 1 1 -31 18 6  o 43.85603 20.84349 -151.9499      145.8298 -216.9057      162.4634 117.4264       330.8463 43.67309 21.08097 83.58504 36.30651 -39.91195      41.98298 
1 1 1 -31 18 7  o 49.01446 22.97564 -127.8344      166.2893 -56.91537      190.8418 -351.4836      338.9034 57.45951 26.08251 63.10001 30.45563 -5.640503      40.09792 
1 1 1 -31 18 8  o 185.9690 17.25661 1081.243       186.0647 1056.084       222.0141 1140.615       341.0564 180.9030 21.33586 176.4705 34.18867 4.432541       40.29993 
1 1 1 -31 18 9  o 79.23064 26.73441 208.3482       147.2996 249.4347       163.3801 29.90919       340.4822 85.36916 28.14132 78.68264 35.35713 6.686523       45.18916 
1 1 1 -31 18 10 o 125.7710 21.11229 516.6017       150.2154 566.4132       169.5046 334.3490       324.2304 130.6583 22.95787 97.18572 38.42792 33.47254       44.76347 
1 1 1 -31 18 11 o 116.0398 23.93368 454.9703       157.4696 440.9374       186.9400 489.2534       292.1920 111.2615 28.51907 110.9536 37.65216 0.3079834      47.23370 
1 1 1 -31 18 12 o 82.31327 27.85384 232.3818       159.8960 228.3646       193.1716 241.1241       284.9633 82.61389 30.36716 87.56660 35.54153 -4.952705      46.74788 
1 1 1 -31 18 13 o 122.5457 22.50309 502.2922       155.7719 505.4138       189.4715 495.7819       273.6263 119.3362 27.61914 111.2798 36.40466 8.056381       45.69591 
1 1 1 -31 18 14 o 88.86745 27.27003 280.6507       155.6902 255.3499       199.0580 320.5135       249.8601 85.29625 30.90726 92.91431 34.46820 -7.618057      46.29596 
1 1 1 -31 18 15 o 156.1651 17.18460 773.8643       154.7906 854.6019       194.6472 634.9668       255.3040 161.2446 21.08804 128.1002 33.57986 33.14441       39.65240 
1 1 1 -31 18 16 o 96.92480 38.65511 369.7112       330.7741 0.000000       0.000000 369.7112       330.7741 ?        ?        96.92480 38.65511 0.000000       38.65511 
1 1 1 -31 18 17 o 166.4879 19.23981 899.4398       184.4074 1125.784       216.1346 293.7557       353.5596 185.5637 20.18495 91.24965 38.52522 94.31409       43.49281 
1 1 1 -31 18 18 o 108.8948 24.39318 414.7427       151.9098 337.2376       186.7831 566.1692       261.0799 94.53828 30.00245 117.5636 35.15525 -23.02534      46.21730 
1 1 1 -31 18 19 o 209.0165 14.48583 1362.333       176.4734 1036.881       228.9932 1838.289       276.9252 174.7145 22.89887 236.5971 20.14885 -61.88266      30.50139 
1 1 1 -31 18 20 o 85.48023 27.21037 268.6479       153.5382 416.8658       192.8921 12.35882       253.6467 103.9756 29.98565 66.62008 30.17260 37.35555       42.53852 
1 1 1 -31 18 21 o 70.95762 26.65364 166.2660       150.3397 305.9249       185.6100 -100.1334      256.3502 89.10869 30.01020 60.70244 28.47748 28.40625       41.37123 
1 1 1 -31 18 22 o 135.5141 20.56607 618.7254       158.3235 794.5088       196.7253 295.5577       266.7383 151.6593 22.82459 86.52232 34.64308 65.13699       41.48620 
1 1 1 -31 18 23 o 64.03251 26.05640 110.1226       153.6230 230.3734       189.5099 -120.3404      262.3546 79.04984 29.87446 59.81099 28.28833 19.23885       41.14259 
1 1 1 -31 18 24 o 71.91054 27.24901 177.9571       157.9110 218.7743       197.5553 105.7320       262.7917 77.61044 30.20081 71.53947 31.67202 6.070961       43.76306 
1 1 1 -31 18 25 o 53.27969 23.94013 -5.064809      156.0634 70.93035       198.5693 -127.8539      252.4056 63.86061 27.92631 57.85908 27.47661 6.001537       39.17707 
1 1 1 -31 18 26 o 75.40889 27.26379 211.5129       154.7821 170.3777       192.8249 286.0366       259.5395 71.68909 29.18473 83.42374 33.89728 -11.73466      44.73001 
1 1 1 -31 18 27 o 116.7643 23.39148 489.7222       154.5960 588.6672       186.7992 274.6256       275.4197 125.3732 26.24824 82.23896 34.31413 43.13421       43.20219 
1 1 1 -31 18 28 o 67.47161 26.25250 153.6687       149.2637 322.8964       181.8308 -195.9939      261.3703 88.55396 29.70218 55.33364 26.71672 33.22032       39.95000 
1 1 1 -31 19 1  o 117.3514 25.29822 466.3137       168.9793 575.2535       193.6787 119.0416       345.7987 130.0223 26.30333 84.56992 36.92028 45.45239       45.33180 
1 1 1 -31 19 2  o 192.3858 15.72190 1143.552       175.8441 962.9143       205.5342 1636.838       339.6476 173.3141 20.62497 220.4927 26.81613 -47.17859      33.83037 
1 1 1 -31 19 3  o 289.1285 13.17118 2538.821       222.7532 2298.622       281.0862 2944.340       365.2247 271.2886 17.76451 304.0217 20.60529 -32.73306      27.20580 
1 1 1 -31 19 4  o 92.28177 41.96909 98.98158       497.0364 0.000000       0.000000 98.98158       497.0364 ?        ?        92.28177 41.96909 0.000000       41.96909 
1 1 1 -31 19 5  o 110.9069 26.96700 426.4509       173.6839 489.9945       203.4847 255.9107       333.3567 117.3554 29.57939 92.22723 38.05076 25.12817       48.19544 
1 1 1 -31 19 6  o 87.93721 26.88860 266.4698       151.5369 129.5178       172.9087 720.0172       314.6617 70.87796 28.05096 135.0803 38.08569 -64.20232      47.30091 
1 1 1 -31 19 7  o 105.8900 26.76134 390.2533       166.2412 408.8759       192.8632 336.4191       327.9122 106.7047 29.72112 97.56174 38.62373 9.142944       48.73539 
1 1 1 -31 19 8  o 138.5995 21.29363 627.0039       167.5579 579.9772       195.7366 755.9757       324.1508 129.6283 26.63799 137.2152 38.64454 -7.586929      46.93594 
1 1 1 -31 19 9  o 43.49123 20.57030 -129.5867      138.7439 -164.1199      153.1410 28.60348       327.7654 44.29499 21.13819 76.88086 34.60688 -32.58587      40.55194 
1 1 1 -31 19 10 o 75.34047 27.17854 182.8508       153.7101 237.4729       176.7545 13.38521       311.3345 83.24361 29.23685 74.39197 33.58556 8.851646       44.52846 
1 1 1 -31 19 11 o 49.83829 22.70406 -53.69060      146.2251 -153.7306      169.7719 233.7861       287.7932 47.66566 22.60640 86.70444 35.51848 -39.03877      42.10239 
1 1 1 -31 19 12 o 77.36877 26.48016 202.1145       144.5699 191.7867       168.3007 231.1872       282.3745 76.80820 28.32566 85.94025 35.19135 -9.132057      45.17493 
1 1 1 -31 19 13 o 171.5420 17.48947 933.9185       173.4947 1206.203       222.1847 508.5054       277.7209 193.0473 19.90981 111.7313 36.68312 81.31602       41.73789 
1 1 1 -31 19 14 o 63.21180 25.18505 99.41348       140.2754 112.7328       171.3704 72.36814       244.1975 67.77240 27.54184 71.14428 31.04311 -3.371880      41.49973 
1 1 1 -31 19 15 o 84.68578 26.09516 253.7509       142.3819 430.8156       176.5283 -75.88005      240.8587 109.1437 27.57322 61.48466 28.42206 47.65905       39.59919 
1 1 1 -31 19 16 o 152.4365 29.62952 851.7831       255.3448 0.000000       0.000000 851.7831       255.3448 ?        ?        152.4365 29.62952 0.000000       29.62952 
1 1 1 -31 19 17 o 273.1470 12.13345 2279.460       193.8858 2240.012       261.7508 2327.417       288.6037 265.8520 16.87504 269.1352 18.39499 -3.283203      24.96283 
1 1 1 -31 19 18 o 83.51579 37.49170 166.3489       381.7796 0.000000       0.000000 166.3489       381.7796 ?        ?        83.51579 37.49170 0.000000       37.49170 
1 1 1 -31 19 19 o 128.1521 21.76433 557.6411       157.7319 420.6221       193.7116 827.2325       271.7180 104.3567 30.03508 145.0231 32.72686 -40.66643      44.42019 
1 1 1 -31 19 20 o 91.29961 27.63098 312.6300       160.5753 350.8192       204.3013 250.9120       259.7212 93.97381 31.48356 83.30820 33.88733 10.66560       46.25544 
1 1 1 -31 19 21 o 68.11785 26.26220 147.0402       148.3504 70.82636       184.5679 286.1492       249.3544 63.38590 27.32446 85.59225 33.74463 -22.20635      43.42034 
1 1 1 -31 19 22 o 193.5359 15.80811 1193.622       177.8670 1124.208       228.1522 1301.184       284.0055 181.4527 21.88046 189.8510 26.20538 -8.398315      34.13908 
1 1 1 -31 19 23 o 104.9060 25.29724 403.2575       153.8190 473.4249       186.6159 254.5652       271.6597 110.8578 28.53546 82.42053 34.20883 28.43731       44.54791 
1 1 1 -31 19 24 o 59.84906 25.28201 75.16219       152.4008 115.0315       187.2823 -2.990556      262.2102 66.62920 28.07984 64.78508 29.84285 1.844124       40.97650 
1 1 1 -31 19 25 o 106.5480 26.41611 429.2888       164.2438 478.3124       209.6141 351.3231       264.3444 107.2252 31.35703 89.12730 34.86213 18.09787       46.88956 
1 1 1 -31 19 26 o 63.96159 26.55451 110.5575       163.7531 73.58939       204.5643 176.5058       273.2238 64.11353 28.18165 75.34048 32.85583 -11.22695      43.28638 
1 1 1 -31 19 27 o 85.96705 28.59474 296.2241       168.5793 427.7520       208.7652 49.72556       285.7961 99.91263 31.72010 68.25331 31.33635 31.65932       44.58847 
1 1 1 -31 20 1  o 108.7951 27.11386 413.1554       172.3760 655.2306       201.2743 -252.9857      333.8845 138.9019 25.65228 65.51584 31.25034 73.38611       40.43048 
1 1 1 -31 20 2  o 162.0349 19.23408 837.5833       179.2191 748.5831       210.6775 1070.646       340.9254 149.1468 24.96711 168.5724 35.60252 -19.42563      43.48443 
1 1 1 -31 20 3  o 238.8741 13.82401 1745.164       192.8387 1540.944       230.0722 2227.450       353.5634 221.3833 17.87200 260.4041 23.40024 -39.02080      29.44451 
1 1 1 -31 20 4  o 238.8246 14.31201 1750.365       199.5415 1682.785       245.2692 1882.656       343.1617 230.9831 18.25386 237.3461 25.02924 -6.362976      30.97848 
1 1 1 -31 20 5  f 124.1793 23.93447 519.2191       167.9906 494.1695       195.7707 589.1744       327.1585 117.9053 28.60665 119.4461 39.83750 -1.540794      49.04454 
1 1 1 -31 20 6  o 91.61451 26.44820 293.0939       149.9926 262.6385       169.8513 400.9675       319.6647 86.70692 28.69786 101.8856 38.73190 -15.17863      48.20506 
1 1 1 -31 20 7  o 144.1525 20.46191 675.2862       168.1346 633.1394       199.4805 778.6827       312.4433 135.6070 26.02854 139.8272 37.38060 -4.220276      45.54992 
1 1 1 -31 20 8  o 36.77996 18.22377 -308.1500      147.7109 -247.9196      166.9782 -524.8891      316.7529 42.71199 20.79274 54.67959 27.01898 -11.96760      34.09345 
1 1 1 -31 20 9  o 170.2383 16.18082 907.8479       159.6105 781.4673       181.8922 1330.964       332.8156 154.9200 20.52407 192.3828 30.51501 -37.46280      36.77504 
1 1 1 -31 20 10 o 63.45014 25.84529 88.78861       151.3245 189.2982       174.2757 -219.2004      305.0710 76.80334 28.72866 62.78419 29.92624 14.01915       41.48392 
1 1 1 -31 20 11 o 126.8456 23.48862 545.0098       168.3027 461.5608       183.0202 1002.165       428.3713 113.5028 27.73405 146.4934 45.28430 -32.99055      53.10221 
1 1 1 -31 20 12 f 126.8393 20.57405 529.5879       147.8078 468.8442       174.6641 682.8228       277.4162 115.2326 26.41127 131.2068 35.28825 -15.97423      44.07738 
1 1 1 -31 20 13 o 127.7301 22.10464 547.0267       159.5952 542.3914       199.9379 555.1666       264.9494 122.3023 28.41790 117.1411 35.50130 5.161194       45.47438 
1 1 1 -31 20 14 o 47.55723 21.93823 -70.64174      142.4227 -64.79899      172.5019 -83.15308      252.4278 52.93619 24.31923 62.30082 28.90275 -9.364632      37.77292 
1 1 1 -31 20 15 o 69.74113 26.85205 146.9327       154.9414 305.2173       196.3274 -114.4525      252.2912 90.19390 30.85862 60.55450 28.35770 29.63940       41.90959 
1 1 1 -31 20 16 o 94.60973 39.79709 359.3921       375.0730 0.000000       0.000000 359.3921       375.0730 ?        ?        94.60973 39.79709 0.000000       39.79709 
1 1 1 -31 20 17 o 127.6577 22.55441 556.9688       162.6871 566.7676       202.5505 539.1562       273.0936 123.6273 28.51737 112.1936 36.34584 11.43363       46.19806 
1 1 1 -31 20 18 f 153.9814 17.40757 764.5508       154.4483 759.9983       189.6418 773.5187       266.1643 149.3956 22.32844 139.5508 33.03658 9.844803       39.87449 
1 1 1 -31 20 19 o 49.24763 24.42508 -457.4099      267.7926 0.000000       0.000000 -457.4099      267.7926 ?        ?        49.24763 24.42508 0.000000       24.42508 
1 1 1 -31 20 20 o 89.42499 38.96186 320.6961       383.4538 0.000000       0.000000 320.6961       383.4538 ?        ?        89.42499 38.96186 0.000000       38.96186 
1 1 1 -31 20 21 o 124.2055 22.61444 536.4551       158.6647 562.9316       197.8995 488.8108       265.4730 122.0117 28.21859 104.7678 35.88251 17.24390       45.64913 
1 1 1 -31 20 22 o 146.8089 19.38773 718.7210       162.8518 870.2828       196.9316 390.8997       289.6270 159.4906 21.60914 93.51012 36.51600 65.98049       42.43080 
1 1 1 -31 20 23 o 81.28217 27.64906 251.9060       157.5716 215.0896       190.1457 332.6105       281.5236 76.63139 29.68188 87.93546 35.45753 -11.30408      46.24122 
1 1 1 -31 20 24 o 55.94347 24.98495 12.77545       167.2081 -59.00348      211.1034 133.6248       273.9169 56.52519 26.29416 72.99794 32.32571 -16.47275      41.66935 
1 1 1 -31 20 25 o 77.74464 28.46374 230.9439       169.4480 234.1400       210.7567 225.1010       284.9630 78.26347 30.97068 79.03543 34.01024 -0.7719650     45.99869 
1 1 1 -31 20 26 o 47.46401 22.67626 -143.2094      177.2975 -185.9092      230.0924 -80.80331      278.1656 52.43601 25.25488 61.65749 29.15167 -9.221485      38.56979 
1 1 1 -31 21 1  o 173.6416 16.53213 944.2653       166.3286 942.7719       192.0036 948.7557       332.9494 171.4799 19.43396 155.7389 37.00290 15.74103       41.79586 
1 1 1 -31 21 2  o 133.1209 22.40627 587.8325       168.7245 462.7965       195.9436 946.4400       331.8358 113.2310 29.28803 155.5193 36.93456 -42.28831      47.13757 
1 1 1 -31 21 3  o 209.2011 15.43827 1357.812       188.0800 1364.979       224.5626 1340.969       344.2315 207.1708 18.68294 192.4837 31.58818 14.68706       36.69967 
1 1 1 -31 21 4  o 150.7916 18.53279 726.3602       160.4530 544.7782       182.6786 1339.350       335.6431 125.7358 25.64302 193.2938 30.62786 -67.55795      39.94534 
1 1 1 -31 21 5  o 213.9720 16.35847 1431.109       203.7252 1389.596       224.1252 1628.511       488.7362 209.0841 18.46726 195.3887 43.74229 13.69537       47.48082 
1 1 1 -31 21 6  o 188.8802 15.98900 1114.181       175.4538 1149.783       208.6127 1028.120       324.3398 189.5511 19.02251 164.2508 34.75578 25.30028       39.62095 
1 1 1 -31 21 7  o 95.18319 25.69122 317.4181       146.7245 339.2418       166.0965 239.8889       313.0610 97.31799 27.74947 88.05013 36.64911 9.267860       45.96945 
1 1 1 -31 21 8  o 49.41445 22.85399 -82.90633      156.0200 -210.5675      178.4375 331.5627       321.5160 46.23156 22.25990 94.91360 38.02360 -48.68205      44.06015 
1 1 1 -31 21 9  o 116.3530 23.32920 459.6803       153.6479 615.8116       175.8138 -45.04287      316.1073 135.3775 22.96377 71.15956 32.77470 64.21794       40.01894 
1 1 1 -31 21 10 o 174.2917 32.00747 1127.446       315.1208 0.000000       0.000000 1127.446       315.1208 ?        ?        174.2917 32.00747 0.000000       32.00747 
1 1 1 -31 21 11 o 37.08838 18.12673 -213.6414      130.5255 -237.4964      145.5198 -115.4526      295.2323 38.98651 19.07255 65.52732 30.68317 -26.54081      36.12782 
1 1 1 -31 21 12 o 205.0834 14.67595 1307.460       175.3504 1452.990       221.3723 1062.375       287.2795 213.4144 17.85014 170.7996 29.76030 42.61487       34.70307 
1 1 1 -31 21 13 o 115.5606 22.36376 453.0915       146.0876 465.7109       176.5037 425.6437       260.3088 113.8584 26.86855 102.1986 35.50859 11.65977       44.52840 
1 1 1 -31 21 14 o 134.3693 21.10446 602.7153       160.8369 821.7623       203.0837 234.1558       263.4269 155.6173 22.93908 83.52555 34.07103 72.09176       41.07354 
1 1 1 -31 21 15 o 59.47639 24.95262 64.86249       146.8460 275.4924       179.1991 -365.7137      256.2128 86.11894 29.48131 50.91639 24.99089 35.20255       38.64832 
1 1 1 -31 21 16 o 187.9149 15.84864 1117.296       173.0374 1291.166       228.8490 885.1937       264.4084 197.9679 19.98406 153.0481 30.52851 44.91975       36.48771 
1 1 1 -31 21 17 o 242.4360 20.61624 1951.208       290.3502 0.000000       0.000000 1951.208       290.3502 ?        ?        242.4360 20.61624 0.000000       20.61624 
1 1 1 -31 21 18 f 159.9877 17.84718 831.7374       164.6098 682.1971       208.5922 1078.595       268.0047 136.6523 26.98531 171.8943 27.51206 -35.24194      38.53726 
1 1 1 -31 21 19 o 190.0009 14.99940 1139.936       165.7850 1125.366       202.3306 1169.703       289.1995 184.9950 18.91474 176.9747 28.85694 8.020340       34.50348 
1 1 1 -31 21 20 o 92.36978 27.26966 323.0279       157.8938 425.0808       193.1608 117.5276       274.1021 103.6667 30.03967 73.35437 32.41705 30.31238       44.19555 
1 1 1 -31 21 21 o 81.75777 29.36106 256.0801       179.1528 432.5380       236.3610 17.82371       274.6487 100.1383 33.86534 67.29104 30.82929 32.84729       45.79636 
1 1 1 -31 21 22 o 153.7151 22.21107 819.9375       194.4342 884.6080       255.0111 730.1392       300.4969 150.8356 29.88431 125.0432 37.78920 25.79238       48.17775 
1 1 1 -31 21 23 o 82.10233 30.08751 266.6639       189.4012 292.2754       246.8302 229.9904       295.3636 84.19688 33.45309 80.01501 34.53005 4.181870       48.07738 
1 1 1 -31 21 24 o 93.70373 27.88830 344.8164       164.6008 425.1803       199.4028 172.9405       291.6139 101.2409 30.82227 75.97224 33.51117 25.26862       45.53032 
1 1 1 -31 21 25 o 71.83555 27.77398 184.1380       166.2629 169.7357       204.6486 212.1011       285.1570 71.74989 29.72776 77.77259 33.74466 -6.022697      44.97156 
1 1 1 -31 22 1  o 140.6589 22.35980 656.9627       178.2862 652.4720       190.5974 688.3936       504.2435 138.7528 24.30744 118.6626 47.59061 20.09024       53.43892 
1 1 1 -31 22 2  o 219.9508 28.09175 1689.247       354.1126 0.000000       0.000000 1689.247       354.1126 ?        ?        219.9508 28.09175 0.000000       28.09175 
1 1 1 -31 22 3  o 116.2916 23.25074 457.3091       153.0292 297.1960       173.2059 1026.941       326.6979 90.94845 28.89480 163.5576 35.10859 -72.60915      45.47002 
1 1 1 -31 22 4  o 98.65291 26.25623 343.3407       154.5777 366.7468       177.2805 269.1093       315.7121 100.5758 28.66526 90.15786 37.09640 10.41794       46.88113 
1 1 1 -31 22 5  o 241.7369 13.05700 1787.649       184.4260 1527.223       217.4284 2455.551       348.2018 220.2729 16.96132 273.6148 21.88127 -53.34183      27.68531 
1 1 1 -31 22 6  o 181.3193 16.62629 1035.123       174.8368 807.3416       203.8542 1668.764       340.0020 155.1943 23.10023 219.2279 27.01524 -64.03358      35.54496 
1 1 1 -31 22 7  o 54.66002 23.55639 23.64948       137.1002 92.06489       152.2998 -268.6982      314.8272 63.71192 25.93723 61.71949 29.67888 1.992428       39.41543 
1 1 1 -31 22 8  o 42.21503 20.34783 -186.8428      150.0515 -219.2792      170.0135 -72.53682      319.1553 44.25713 21.41213 69.79995 32.42200 -25.54282      38.85442 
1 1 1 -31 22 9  o 182.6668 16.04415 1048.792       170.1362 1186.874       200.8124 697.5415       320.2796 192.7923 17.96716 127.3864 39.11709 65.40588       43.04609 
1 1 1 -31 22 10 o 117.6585 24.57391 480.6158       164.0906 444.8160       194.8938 567.7880       304.1211 109.1964 29.66747 114.9673 38.41067 -5.770866      48.53389 
1 1 1 -31 22 11 o 57.88333 24.55280 48.62860       144.7265 -15.13965      166.0464 250.2201       295.2319 55.37062 24.80126 86.31364 35.72873 -30.94302      43.49304 
1 1 1 -31 22 12 o 68.22090 26.74462 134.9025       155.8660 19.25939       185.7087 410.5148       286.6961 60.43980 26.69756 99.25166 36.90222 -38.81187      45.54705 
1 1 1 -31 22 13 o 41.94160 20.00847 -139.8523      136.9709 -136.9083      162.5942 -147.0479      254.1973 46.72046 22.14795 58.91783 27.85968 -12.19737      35.59063 
1 1 1 -31 22 14 o 71.86822 26.83056 169.7888       151.8590 297.9515       186.8880 -79.29166      260.5375 88.63891 30.11207 62.57138 29.14182 26.06752       41.90445 
1 1 1 -31 22 15 o 70.55483 26.01688 164.3746       141.9768 99.81104       170.1476 312.3862       257.6202 65.17751 27.06442 89.18256 34.54761 -24.00505      43.88645 
1 1 1 -31 22 16 o 187.4384 15.39426 1110.468       167.7363 1266.261       213.4936 859.1891       271.1365 196.9354 18.70906 148.0394 32.15170 48.89597       37.19894 
1 1 1 -31 22 17 o 150.7258 19.14221 750.1509       165.4001 873.8963       211.2480 554.1107       265.8891 158.6980 23.39832 112.7062 35.79966 45.99189       42.76794 
1 1 1 -31 22 18 o 91.98491 25.98767 312.9567       146.3530 332.1067       174.6360 267.7755       268.2423 92.63251 28.95872 84.12415 34.35608 8.508354       44.93270 
1 1 1 -31 22 19 o 111.0064 25.47838 449.4779       162.3530 629.3422       203.2391 132.3073       269.8866 129.9425 27.52627 74.00095 32.45374 55.94153       42.55515 
1 1 1 -31 22 20 o 63.85997 26.63010 101.0762       165.7396 49.31262       206.3362 195.2122       278.2537 63.27801 28.03698 78.06550 33.60033 -14.78749      43.76133 
1 1 1 -31 22 21 o 51.25127 23.56905 -46.19596      162.5927 -87.46445      199.6965 34.96500       280.0495 53.78248 25.20017 68.08757 31.17049 -14.30509      40.08301 
1 1 1 -31 22 22 o 62.01632 27.81068 33.79118       209.4583 186.4316       284.1524 -147.8417      309.9657 76.84789 33.50996 62.21605 29.79398 14.63185       44.83971 
1 1 1 -31 22 23 o 62.57683 28.58698 8.987262       233.9122 437.7748       359.0696 -307.1314      308.3064 93.37946 39.08692 56.66766 27.73055 36.71179       47.92464 
1 1 1 -31 22 24 o 49.53480 23.73632 -158.7560      197.4263 -231.1288      263.3279 -65.85502      298.3455 54.41049 26.40095 63.92717 30.21452 -9.516678      40.12390 
1 1 1 -31 23 1  o 136.4747 21.69518 618.1585       167.8409 647.4226       189.9423 513.9050       358.5086 137.6847 24.41657 108.7972 41.09576 28.88751       47.80200 
1 1 1 -31 23 2  o 167.9972 17.25910 894.9731       167.6319 921.6739       192.2611 810.3258       342.3229 168.5461 19.82906 137.6357 40.02169 30.91040       44.66460 
1 1 1 -31 23 3  o 159.4519 17.68701 810.2968       162.6209 764.3908       187.5530 949.3493       326.4216 151.9218 21.66298 154.2006 36.63900 -2.278839      42.56409 
1 1 1 -31 23 4  o 233.8936 13.82847 1685.380       188.8429 1682.276       227.0617 1692.344       340.1017 230.9935 16.87723 220.5274 26.84906 10.46602       31.71298 
1 1 1 -31 23 5  o 169.3347 17.06220 909.1626       167.1382 734.1584       193.6913 1419.412       330.7326 147.5509 23.14358 198.9342 29.21766 -51.38329      37.27327 
1 1 1 -31 23 6  o 128.0260 22.76720 553.8625       164.6809 598.1695       190.2339 421.3701       328.9634 130.8705 25.70293 100.8769 39.04977 29.99360       46.74960 
1 1 1 -31 23 7  o 105.1423 25.78351 392.0437       157.7541 321.2962       180.7415 618.3151       323.2340 93.09092 29.50961 118.6481 39.59843 -25.55723      49.38475 
1 1 1 -31 23 8  f 136.0675 38.24368 784.9981       317.7965 0.000000       0.000000 784.9981       317.7965 ?        ?        136.0675 38.24368 0.000000       38.24368 
1 1 1 -31 23 9  o 65.74431 25.58860 122.8777       141.8454 259.8629       159.4285 -397.4145      310.7082 84.76764 27.79158 56.52737 27.69873 28.24027       39.23763 
1 1 1 -31 23 10 o 70.07079 27.03103 150.1111       157.2299 128.4622       183.4667 209.9837       305.1080 69.64112 28.42377 83.30099 35.50320 -13.65987      45.47954 
1 1 1 -31 23 11 o 153.9414 18.28339 767.5326       161.8476 757.2286       196.4951 789.2719       285.4122 148.7679 23.28429 139.5938 34.94602 9.174149       41.99265 
1 1 1 -31 23 12 o 42.73057 20.61307 -186.3177      154.7416 -363.1392      190.0493 161.4785       266.5392 41.69382 20.66073 77.47904 33.10724 -35.78522      39.02506 
1 1 1 -31 23 13 o 165.9096 29.13429 1017.896       273.1452 0.000000       0.000000 1017.896       273.1452 ?        ?        165.9096 29.13429 0.000000       29.13429 
1 1 1 -31 23 14 o 84.73780 26.64690 263.8259       147.6477 309.7202       178.7563 165.2941       261.9210 89.94478 29.42445 76.84167 32.82661 13.10310       44.08384 
1 1 1 -31 23 15 o 94.45239 35.72659 379.7999       271.1659 0.000000       0.000000 379.7999       271.1659 ?        ?        94.45239 35.72659 0.000000       35.72659 
1 1 1 -31 23 16 o 164.5381 16.90323 871.8672       160.7951 962.8848       195.1453 679.3965       283.7775 170.1249 19.93643 124.5824 36.49932 45.54247       41.58920 
1 1 1 -31 23 17 o 102.0327 25.04057 378.2788       148.7062 274.8150       180.4466 597.2753       262.5265 84.58794 29.55300 117.4735 35.28131 -32.88558      46.02337 
1 1 1 -31 23 18 o 165.4841 18.00082 896.1652       171.8905 924.8243       220.8169 852.0942       273.8280 162.0590 23.95401 144.8382 32.97784 17.22084       40.75945 
1 1 1 -31 23 19 o 108.6239 24.60501 428.4289       153.0991 446.2507       183.2493 387.2365       278.5959 107.1044 28.62504 92.99662 35.95324 14.10775       45.95681 
1 1 1 -31 23 20 o 59.79613 25.27372 75.14212       152.4398 46.93093       180.6588 144.8856       284.0536 60.26178 26.48637 74.50264 32.95881 -14.24086      42.28252 
1 1 1 -31 23 21 o 42.11053 20.55819 -229.0923      166.5267 -330.7584      203.3343 -21.99832      290.2059 43.94810 21.70353 65.77881 30.67590 -21.83071      37.57730 
1 1 1 -31 23 22 o 48.22977 22.89597 -124.6314      174.9700 -195.6424      218.8531 1.160816       291.2842 50.89299 24.54148 66.74780 30.99391 -15.85481      39.53362 
1 1 1 -31 23 23 o 55.49231 25.63158 -38.83788      195.3164 -0.4301805     243.5268 -108.0920      327.0095 62.50759 28.78153 64.36378 30.76283 -1.856186      42.12753 
1 1 1 -31 24 1  o 141.2467 21.98708 667.5219       176.2110 750.5244       194.2292 281.3959       418.9220 149.1161 22.94393 92.42136 40.48551 56.69470       46.53494 
1 1 1 -31 24 2  o 199.1597 15.82714 1245.067       183.3454 1377.323       217.2348 917.5715       341.8402 207.5401 18.02609 147.2281 38.98156 60.31203       42.94767 
1 1 1 -31 24 3  o 154.0593 20.01954 777.4285       176.6071 735.2816       193.7216 984.8384       429.7439 147.2581 23.19769 141.7205 45.56601 5.537613       51.13115 
1 1 1 -31 24 4  o 224.5448 16.31514 1589.026       213.3887 1734.805       232.7330 819.8410       534.5970 233.8851 17.08484 120.6770 48.78924 113.2080       51.69412 
1 1 1 -31 24 5  o 188.4356 17.06814 1129.162       186.5816 858.0894       205.5558 2397.456       444.6286 159.5903 22.59302 255.8736 30.21118 -96.28334      37.72479 
1 1 1 -31 24 6  o 50.92733 22.79978 -19.33706      140.1405 -25.07527      157.7116 2.195915       305.5114 53.28025 23.99257 71.35302 32.62437 -18.07277      40.49682 
1 1 1 -31 24 7  o 69.25755 26.96415 143.0556       157.5430 154.7392       185.1659 112.4232       299.8219 72.40517 28.90649 76.81765 33.92766 -4.412476      44.57209 
1 1 1 -31 24 8  o 61.09028 25.35184 77.27892       149.1679 225.3262       170.9128 -396.0196      305.5919 79.77242 28.67420 55.78893 27.36420 23.98349       39.63596 
1 1 1 -31 24 9  o 190.3900 29.85506 1339.848       322.4072 0.000000       0.000000 1339.848       322.4072 ?        ?        190.3900 29.85506 0.000000       29.85506 
1 1 1 -31 24 10 o 182.7228 16.35270 1060.927       173.3892 1159.247       211.3429 858.4963       303.2519 188.1600 19.43100 144.0014 36.00583 44.15857       40.91434 
1 1 1 -31 24 11 o 79.91648 27.11029 230.5947       151.4794 274.9092       180.3211 124.3383       279.2229 85.54028 29.56244 75.33768 33.02598 10.20260       44.32441 
1 1 1 -31 24 12 o 55.09103 24.58989 -2.209013      161.7136 107.7885       197.9339 -223.0330      280.4477 68.11801 28.79553 58.18137 27.98625 9.936646       40.15486 
1 1 1 -31 24 13 o 113.6364 25.38309 465.1317       164.8917 435.1374       205.6205 519.1740       276.0027 104.5807 31.18104 108.3489 36.59536 -3.768196      48.07783 
1 1 1 -31 24 14 o 73.28458 26.64048 186.3328       148.0512 264.1051       177.7442 10.11443       267.5520 83.59702 29.32187 67.09407 30.62117 16.50295       42.39608 
1 1 1 -31 24 15 o 153.8352 32.83012 944.9404       287.1700 0.000000       0.000000 944.9404       287.1700 ?        ?        153.8352 32.83012 0.000000       32.83012 
1 1 1 -31 24 16 o 127.2081 23.62405 570.2834       169.7595 519.3672       207.9729 671.9374       293.8602 114.5889 30.43591 121.4741 37.49908 -6.885109      48.29623 
1 1 1 -31 24 17 o 95.92426 27.50935 352.0982       162.7796 379.1702       208.8572 310.2080       259.8037 95.74546 31.82740 86.78310 34.37215 8.962364       46.84472 
1 1 1 -31 24 18 o 196.9473 15.18421 1233.937       174.0319 1280.031       219.7181 1156.329       285.0965 195.9527 19.37217 174.3752 28.88825 21.57755       34.78235 
1 1 1 -31 24 19 o 130.0986 23.34855 600.1746       171.6029 536.9289       218.9529 700.8856       276.2953 114.0467 31.63076 125.2990 35.81010 -11.25233      47.77937 
1 1 1 -31 24 20 o 88.55661 28.96823 312.0219       173.2575 270.9733       217.0813 384.0548       287.5667 82.30766 31.75916 91.55473 36.19362 -9.247063      48.15208 
1 1 1 -31 24 21 o 78.73103 29.37453 239.6205       181.9658 400.1773       225.8235 -57.63275      307.2685 95.62223 33.08102 65.24603 30.78491 30.37620       45.18921 
1 1 1 -31 24 22 f 76.61822 28.11619 225.1346       165.4843 156.3340       190.0657 440.7093       336.4393 69.69445 28.74070 92.99474 38.28246 -23.30029      47.87039 
1 1 1 -31 25 1  f 130.5998 21.97721 575.1019       162.3604 567.6203       187.6833 597.3513       323.6591 126.3798 26.18354 115.3694 39.61679 11.01038       47.48756 
1 1 1 -31 25 2  o 136.0337 22.10528 624.3489       170.3083 573.9739       199.1558 761.4391       328.5401 125.6691 27.76304 131.3230 39.47498 -5.653847      48.26033 
1 1 1 -31 25 3  o 174.2346 34.89288 1200.546       344.1080 0.000000       0.000000 1200.546       344.1080 ?        ?        174.2346 34.89288 0.000000       34.89288 
1 1 1 -31 25 4  o 119.4651 24.07148 496.5564       162.8183 575.0172       189.2840 273.3501       319.2572 126.9165 26.29516 87.92294 36.83330 38.99352       45.25624 
1 1 1 -31 25 5  o 92.52465 29.00706 321.5252       175.0925 301.9332       187.1941 458.5250       495.0090 89.40283 30.13807 100.2319 43.95501 -10.82903      53.29490 
1 1 1 -31 25 6  o 156.2882 19.24694 799.7575       172.6940 771.0251       208.1912 863.1355       309.2044 148.6534 24.74998 143.8526 36.57485 4.800797       44.16199 
1 1 1 -31 25 7  o 104.8840 26.36907 400.1404       162.0059 279.4633       190.1339 719.9071       309.5021 86.18375 30.31887 127.7846 38.29200 -41.60086      48.84169 
1 1 1 -31 25 8  o 129.9595 21.57932 571.8043       158.7076 594.3793       183.9212 505.9832       314.0511 129.6004 25.10470 105.5553 38.73314 24.04517       46.15736 
1 1 1 -31 25 9  o 85.50631 28.37851 272.9901       166.0610 348.1964       198.5477 97.90165       302.9467 94.17677 31.02151 75.07510 33.57277 19.10167       45.71066 
1 1 1 -31 25 10 o 76.09566 27.61313 203.7499       158.9632 180.6516       188.7243 260.1575       294.9212 74.42404 29.35216 84.97340 35.48560 -10.54935      46.05190 
1 1 1 -31 25 11 o 83.51736 28.78051 261.0834       170.8627 317.9275       210.2553 150.5471       293.1953 89.69353 31.85259 77.29041 33.86320 12.40313       46.48982 
1 1 1 -31 25 12 o 146.0087 21.03870 719.4838       174.9634 902.1927       217.1761 381.5967       295.3369 161.0274 23.70510 94.01178 36.82667 67.01558       43.79652 
1 1 1 -31 25 13 o 132.9541 22.98306 613.9673       172.7284 647.8510       216.3685 554.4321       286.8046 130.7567 28.97722 110.4804 37.30462 20.27638       47.23678 
1 1 1 -31 25 14 f 101.2663 36.88861 467.1533       284.0708 0.000000       0.000000 467.1533       284.0708 ?        ?        101.2663 36.88861 0.000000       36.88861 
1 1 1 -31 25 15 o 84.84879 27.66984 274.1402       158.1329 270.6986       188.6882 282.2613       289.8489 83.47053 30.11239 84.80308 35.27820 -1.332550      46.38219 
1 1 1 -31 25 16 o 74.88096 27.73240 202.7995       161.6245 456.0786       203.8846 -225.5377      265.1414 105.8553 30.91686 55.50074 26.82467 50.35453       40.93183 
1 1 1 -31 25 17 o 227.9922 14.53749 1641.641       193.3712 1807.818       264.2904 1450.196       283.6736 232.7788 19.53937 201.7337 24.47689 31.04507       31.31940 
1 1 1 -31 25 18 o 73.88293 28.33438 195.3334       172.0485 165.6757       216.4673 246.2035       283.5013 72.64050 30.37322 81.08395 34.37776 -8.443451      45.87333 
1 1 1 -31 25 19 o 98.25913 29.69888 390.3717       185.5939 498.2754       249.3437 256.3246       277.9131 105.1369 34.76974 81.43122 34.25545 23.70570       48.80953 
1 1 1 -31 25 20 o 50.66506 23.34400 -45.95177      160.5752 79.11529       192.2136 -334.8676      292.1449 63.41628 27.60821 54.11823 26.58725 9.298050       38.32878 
1 1 1 -31 26 1  o 128.9860 22.65916 568.9114       165.1586 535.3279       193.2080 660.0449       318.2736 120.6602 27.86531 120.8343 39.24446 -0.1741028     48.13110 
1 1 1 -31 26 2  o 80.83804 28.23431 235.9899       164.6951 161.0053       191.9035 445.6191       320.8652 73.05450 29.33842 100.4833 38.65379 -27.42876      48.52688 
1 1 1 -31 26 3  o 227.2487 14.89959 1617.343       197.4805 1438.846       239.0685 2000.766       350.3857 209.4208 19.69613 239.2237 25.36001 -29.80286      32.11024 
1 1 1 -31 26 4  o 205.9897 15.67588 1339.540       187.9552 1131.845       222.1098 1863.421       352.7534 184.2999 20.91868 228.5778 26.82377 -44.27795      34.01626 
1 1 1 -31 26 5  o 185.6378 16.60640 1099.074       178.8900 988.0732       209.8111 1394.620       342.3567 171.6636 21.29656 191.1456 31.64600 -19.48199      38.14463 
1 1 1 -31 26 6  o 71.41454 27.27404 165.2909       158.9734 101.7894       184.6066 347.5135       312.7206 66.59933 27.96156 92.05123 37.27951 -25.45190      46.60054 
1 1 1 -31 26 7  o 133.3242 20.89156 597.8734       157.9926 631.7913       183.2871 499.7967       311.6736 134.3603 24.14762 104.6291 38.55347 29.73122       45.49151 
1 1 1 -31 26 8  o 63.27066 26.20425 93.54619       158.9243 40.96374       185.7560 237.1474       306.9738 61.41534 26.92957 83.61539 35.62357 -22.20005      44.65692 
1 1 1 -31 26 9  o 62.56916 26.09855 87.10799       159.2492 112.8664       186.3093 17.24878       306.8221 67.46538 28.19146 70.71246 32.46658 -3.247078      42.99810 
1 1 1 -31 26 10 o 85.78801 28.69278 279.1929       169.6958 309.9698       204.2831 210.6749       304.8050 88.66252 31.40572 81.33537 35.08859 7.327148       47.09064 
1 1 1 -31 26 11 o 81.00728 29.40189 245.5480       180.2386 311.1505       223.2220 122.6589       305.5156 88.07398 32.59631 75.68860 33.79013 12.38538       46.94990 
1 1 1 -31 26 12 o 91.58821 28.90871 326.0423       173.6230 237.1127       215.4454 490.7928       293.2427 80.14713 31.43645 102.9118 37.48070 -22.76463      48.91884 
1 1 1 -31 26 13 o 40.65466 19.93795 -252.2892      162.0452 -167.3974      196.6993 -431.5967      285.8704 49.67506 23.77379 51.52066 25.49617 -1.845608      34.86041 
1 1 1 -31 26 14 o 69.54487 31.99320 28.86373       299.9667 0.000000       0.000000 28.86373       299.9667 ?        ?        69.54487 31.99320 0.000000       31.99320 
1 1 1 -31 26 15 o 120.7651 26.05260 538.8099       179.0937 393.5724       223.3809 800.1603       299.6527 96.08805 32.91498 133.2164 37.02475 -37.12832      49.54016 
1 1 1 -31 26 16 o 79.47590 28.99607 241.0360       175.6158 380.2512       222.7509 12.37840       285.4757 94.34915 32.84331 67.35828 31.06789 26.99087       45.20948 
1 1 1 -31 26 17 o 212.4828 15.44499 1441.817       191.1554 1643.681       242.2977 1109.072       311.0819 222.7715 18.71850 163.7706 33.51836 59.00084       38.39092 
1 1 1 -31 26 18 o 60.69429 26.71002 51.83105       184.2550 91.71011       236.2224 -10.12865      294.4445 67.83726 30.03086 66.38889 30.93996 1.448364       43.11768 
1 1 1 -31 27 1  o 148.6106 21.94715 748.7460       185.5359 980.0118       222.7085 224.1511       335.4232 169.1442 23.04978 84.13616 36.55125 85.00805       43.21210 
1 1 1 -31 27 2  o 158.4409 21.28405 843.9406       192.7774 1110.299       235.9879 309.6593       334.2271 180.3064 22.82740 89.45865 37.59521 90.84778       43.98284 
1 1 1 -31 27 3  f 156.7682 20.56037 820.2736       184.4821 635.7327       217.0442 1300.643       350.1785 129.9550 29.19246 180.4059 34.35123 -50.45088      45.08000 
1 1 1 -31 27 4  o 226.8072 15.12185 1618.637       199.9974 1387.468       236.6318 2196.702       374.1940 204.8853 19.94516 248.7611 26.03368 -43.87582      32.79576 
1 1 1 -31 27 5  o 180.2728 17.58570 1050.186       183.5649 915.6841       217.1540 1386.906       343.5885 162.7111 23.43081 189.1225 32.12546 -26.41139      39.76239 
1 1 1 -31 27 6  o 145.1263 20.54983 706.5179       170.0194 734.2898       199.5696 633.0121       324.6781 144.4435 24.42845 115.4036 39.67730 29.03994       46.59439 
1 1 1 -31 27 7  o 81.06300 28.09197 243.7391       162.8752 305.9464       189.4899 67.77048       318.7008 88.54886 30.31592 73.74995 33.56660 14.79891       45.23021 
1 1 1 -31 27 8  o 57.65504 25.15875 35.05397       160.4154 20.88437       186.3854 75.53933       315.0519 59.61802 26.51806 73.71791 33.48221 -14.09990      42.71143 
1 1 1 -31 27 9  o 53.84679 24.34514 -18.40926      164.2785 -97.33502      189.5746 219.5506       329.1719 52.37411 24.54443 82.07260 35.92154 -29.69849      43.50616 
1 1 1 -31 27 10 o 50.36112 23.70628 -108.4854      180.2967 -138.3346      210.8837 -27.39023      347.5953 53.00766 25.15604 70.63570 33.14482 -17.62803      41.61017 
1 1 1 -31 27 11 o 43.27017 21.16795 -256.7347      179.2379 -178.2411      218.8909 -416.4672      312.2536 52.13767 24.98618 54.65047 26.97136 -2.512798      36.76633 
1 1 1 -31 27 12 o 100.8915 29.31300 401.7318       183.7076 485.9295       233.5805 265.1937       297.4495 106.5534 33.51717 83.45013 35.28941 23.10322       48.66974 
1 1 1 -31 27 13 o 100.4929 28.68198 395.3816       177.3645 385.0468       213.7598 418.2205       317.7697 95.81530 32.20523 94.40956 37.80832 1.405739       49.66534 
1 1 1 -31 27 14 o 93.31673 28.89794 343.8412       174.3546 263.9731       212.2199 509.7103       305.8314 82.05623 31.46888 102.4521 38.10968 -20.39584      49.42305 
1 1 1 -31 27 15 o 58.89677 25.83146 43.00636       171.0086 66.90799       209.7356 -4.397689      295.3698 64.47540 28.43071 67.17246 31.19775 -2.697067      42.20906 
1 1 1 -31 27 16 o 92.00911 37.73024 406.3125       325.1727 0.000000       0.000000 406.3125       325.1727 ?        ?        92.00911 37.73024 0.000000       37.73024 
1 1 1 -31 28 1  o 125.6967 25.12565 565.3629       178.7416 738.3273       213.8842 164.8702       325.4601 142.6371 26.54456 79.36327 35.18554 63.27384       44.07534 
1 1 1 -31 28 2  o 153.6901 23.00410 816.7040       200.9820 1105.412       255.9808 352.6816       324.5246 176.1734 25.51726 91.28275 37.59023 84.89070       45.43299 
1 1 1 -31 28 3  o 177.8004 20.35139 1056.854       208.3963 717.6473       265.6643 1599.477       336.0086 131.5474 34.14199 208.1230 28.25757 -76.57555      44.31891 
1 1 1 -31 28 4  o 176.0751 19.07060 1022.358       193.7905 847.8087       237.8648 1366.913       334.1959 151.3734 27.81834 187.7493 31.46310 -36.37589      41.99746 
1 1 1 -31 28 5  o 161.7040 19.21790 865.4866       178.6934 712.8398       216.1894 1194.680       317.4797 138.7069 27.54735 174.0789 32.28554 -35.37199      42.44069 
1 1 1 -31 28 6  o 112.0392 26.53282 464.7478       171.6352 448.6428       204.4420 503.2012       315.9050 105.6609 30.98659 102.8609 38.63669 2.799995       49.52739 
1 1 1 -31 28 7  o 68.86888 27.35414 147.2254       164.9824 192.4389       192.8418 23.77225       318.6531 75.00066 29.64226 71.04970 32.78949 3.950958       44.20197 
1 1 1 -31 28 8  o 41.70162 20.28704 -212.3876      158.2141 -251.2477      187.1677 -115.1147      296.1250 44.74562 21.83381 63.10513 29.90762 -18.35952      37.02946 
1 1 1 -31 28 9  o 160.1786 19.78561 858.5281       181.9211 631.1898       222.3848 1318.427       316.3006 126.6922 30.33244 185.2323 30.15221 -58.54010      42.76929 
1 1 1 -31 28 10 o 90.25224 30.53532 327.5897       192.1639 478.7783       227.2226 -52.11967      360.0956 106.3890 32.99675 70.14851 33.16679 36.24047       46.78484 
1 1 1 -31 28 11 o 139.3985 27.64586 728.5446       218.0311 741.2475       262.7120 700.4316       390.8241 133.1432 33.63775 112.4810 42.81065 20.66224       54.44493 
1 1 1 -31 28 12 o 125.7078 29.14424 613.4553       210.6735 879.3508       274.3252 231.1760       328.9278 146.7547 32.70905 81.55183 35.79479 65.20286       48.48865 
1 1 1 -31 28 13 o 63.90471 26.97446 98.67342       173.2708 -21.36903      210.7089 349.3785       304.5068 58.73506 26.94430 88.67980 36.45424 -29.94474      45.33108 
1 1 1 -31 28 14 o 85.65715 35.97593 315.0124       305.7682 0.000000       0.000000 315.0124       305.7682 ?        ?        85.65715 35.97593 0.000000       35.97593 
1 1 1 -31 29 1  o 83.86816 28.09046 265.3146       162.6389 389.7251       190.0061 -75.67173      314.5629 99.38072 30.05239 66.65282 31.35583 32.72791       43.43195 
1 1 1 -31 29 2  o 73.20839 28.51580 179.9270       176.2624 106.8234       213.5810 336.0415       312.1149 68.67824 29.49715 89.63543 36.88326 -20.95719      47.22771 
1 1 1 -31 29 3  f 57.76791 26.20539 -14.03926      192.2606 7.071212       218.1390 -87.51331      406.9596 61.99445 28.03883 72.39075 34.52167 -10.39630      44.47383 
1 1 1 -31 29 4  o 227.2827 17.53776 1673.755       231.9644 1273.284       271.5760 2754.086       446.0508 189.1677 25.09766 272.4146 28.33268 -83.24687      37.85014 
1 1 1 -31 29 5  o 116.1354 27.86438 510.0150       187.3546 775.4388       246.7489 148.6633       287.9058 140.8496 30.73658 75.91718 33.39935 64.93243       45.39002 
1 1 1 -31 29 6  o 93.87344 29.71173 348.9276       183.2882 136.0382       235.9628 672.7803       291.0316 72.09422 30.98484 121.5434 37.28184 -49.44922      48.47676 
1 1 1 -31 29 7  o 57.90503 25.59340 26.43169       170.9132 -39.45070      208.6951 160.6160       297.8368 57.87094 26.64559 76.81493 33.87552 -18.94398      43.09917 
1 1 1 -31 29 8  o 52.30378 24.07332 -49.07751      170.1238 44.74110       206.3307 -248.2891      300.6607 62.93541 27.95262 58.38610 28.30185 4.549309       39.77868 
1 1 1 -31 29 9  o 73.67264 28.36046 191.3137       172.8152 283.3655       201.3858 -65.82734      336.5879 84.29668 31.00263 67.75542 32.04447 16.54125       44.58712 
1 1 1 -31 29 10 o 55.33199 24.48772 19.62698       156.9538 33.31307       174.1826 -39.46950      361.9478 58.48499 25.84396 70.14346 33.19051 -11.65847      42.06566 
1 1 1 -31 30 1  o 62.72998 25.84584 99.85385       153.5256 149.9333       176.6745 -54.56996      310.2425 69.62967 28.08455 66.64271 31.28454 2.986961       42.04122 
1 1 1 -31 30 2  o 120.7989 23.46918 516.7320       160.2759 654.2263       187.7456 147.2764       307.7574 135.1759 24.58756 76.38212 34.01883 58.79379       41.97414 
1 1 1 -31 30 3  o 89.30921 28.12470 308.8756       164.4219 303.3053       195.8961 322.1543       302.4583 86.99808 30.76007 87.51859 36.18942 -0.5205154     47.49585 
1 1 1 -31 30 4  o 97.75929 27.24755 365.1418       162.0386 414.9111       188.6671 225.2125       316.3511 102.0067 29.72597 81.03979 35.34740 20.96693       46.18519 
1 1 1 -30 0  1  o 110.8842 57.37750 596.2093       480.7604 596.2093       480.7604 596.2093       480.7604 110.8842 57.37750 110.8842 57.37750 0.000000       0.000000 
1 1 1 -30 0  2  o 204.3739 49.62424 1502.565       515.4222 1502.565       515.4222 1502.565       515.4222 204.3739 49.62424 204.3739 49.62424 -0.000000      0.000000 
1 1 1 -30 0  3  o 155.8371 56.22511 1012.747       470.9145 1012.747       470.9145 1012.747       470.9145 155.8371 56.22511 155.8371 56.22511 0.000000       0.000000 
1 1 1 -30 0  4  o 388.1368 25.33409 4575.764       570.9736 4575.764       570.9736 4575.764       570.9736 388.1368 25.33409 388.1368 25.33409 -0.000000      0.000000 
1 1 1 -30 0  5  o 120.0418 54.87817 670.4570       420.5479 670.4570       420.5479 670.4570       420.5479 120.0418 54.87817 120.0418 54.87817 -0.000000      0.000000 
1 1 1 -30 0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  7  o 78.52512 44.94898 264.1890       327.2262 264.1890       327.2262 264.1890       327.2262 78.52512 44.94898 78.52512 44.94898 0.000000       0.000000 
1 1 1 -30 0  8  o 44.49771 31.38980 -357.2346      327.0364 -357.2346      327.0364 -357.2346      327.0364 44.49771 31.38980 44.49771 31.38980 -0.000000      0.000000 
1 1 1 -30 0  9  o 86.92146 46.26170 352.2495       319.3080 352.2495       319.3080 352.2495       319.3080 86.92146 46.26170 86.92146 46.26170 -0.000000      0.000000 
1 1 1 -30 0  10 o 119.0358 47.31025 609.0428       318.8814 609.0428       318.8814 609.0428       318.8814 119.0358 47.31025 119.0358 47.31025 0.000000       0.000000 
1 1 1 -30 0  11 o 66.56236 41.63536 111.1569       334.2190 111.1569       334.2190 111.1569       334.2190 66.56236 41.63536 66.56236 41.63536 0.000000       0.000000 
1 1 1 -30 0  12 o 180.3124 35.27437 1097.248       332.2106 1097.248       332.2106 1097.248       332.2106 180.3124 35.27437 180.3124 35.27437 0.000000       0.000000 
1 1 1 -30 0  13 o 81.77226 44.59637 310.6658       303.6014 310.6658       303.6014 310.6658       303.6014 81.77226 44.59637 81.77226 44.59637 0.000000       0.000000 
1 1 1 -30 0  14 o 201.7766 27.88835 1300.984       312.0743 1300.984       312.0743 1300.984       312.0743 201.7766 27.88835 201.7766 27.88835 -0.000000      0.000000 
1 1 1 -30 0  15 o 388.7499 17.61867 4529.339       399.8083 4529.339       399.8083 4529.339       399.8083 388.7499 17.61867 388.7499 17.61867 0.000000       0.000000 
1 1 1 -30 0  16 o 278.9290 18.71000 2355.332       302.8592 2355.332       302.8592 2355.332       302.8592 278.9290 18.71000 278.9290 18.71000 -0.000000      0.000000 
1 1 1 -30 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  18 o 121.5805 38.41595 578.4651       240.7530 578.4651       240.7530 578.4651       240.7530 121.5805 38.41595 121.5805 38.41595 0.000000       0.000000 
1 1 1 -30 0  19 o 268.8972 18.44336 2201.210       287.6613 2201.210       287.6613 2201.210       287.6613 268.8972 18.44336 268.8972 18.44336 0.000000       0.000000 
1 1 1 -30 0  20 o 32.38989 23.40974 -408.3157      231.1341 -408.3157      231.1341 -408.3157      231.1341 32.38989 23.40974 32.38989 23.40974 -0.000000      0.000000 
1 1 1 -30 0  21 o 79.78873 39.70553 311.5295       225.1873 311.5295       225.1873 311.5295       225.1873 79.78873 39.70553 79.78873 39.70553 0.000000       0.000000 
1 1 1 -30 0  22 o 39.73180 27.46061 -138.7591      216.7765 -138.7591      216.7765 -138.7591      216.7765 39.73180 27.46061 39.73180 27.46061 0.000000       0.000000 
1 1 1 -30 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  24 f 45.29242 29.83525 -6.324585      202.4186 -6.324585      202.4186 -6.324585      202.4186 45.29242 29.83525 45.29242 29.83525 -0.000000      0.000000 
1 1 1 -30 0  25 o 86.76626 37.55793 351.4862       197.0732 351.4862       197.0732 351.4862       197.0732 86.76626 37.55793 86.76626 37.55793 0.000000       0.000000 
1 1 1 -30 0  26 o 201.0666 19.15060 1266.302       220.8277 1266.302       220.8277 1266.302       220.8277 201.0666 19.15060 201.0666 19.15060 0.000000       0.000000 
1 1 1 -30 0  27 o 65.35544 35.34751 215.6933       189.1580 215.6933       189.1580 215.6933       189.1580 65.35544 35.34751 65.35544 35.34751 0.000000       0.000000 
1 1 1 -30 0  28 o 40.35428 27.25851 -50.70393      188.4153 -50.70393      188.4153 -50.70393      188.4153 40.35428 27.25851 40.35428 27.25851 -0.000000      0.000000 
1 1 1 -30 0  29 o 141.7729 26.98333 698.0882       200.7554 698.0882       200.7554 698.0882       200.7554 141.7729 26.98333 141.7729 26.98333 -0.000000      0.000000 
1 1 1 -30 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  31 o 98.13413 36.83250 433.7861       197.9426 433.7861       197.9426 433.7861       197.9426 98.13413 36.83250 98.13413 36.83250 -0.000000      0.000000 
1 1 1 -30 0  32 f 54.26260 33.08911 130.9762       198.5914 130.9762       198.5914 130.9762       198.5914 54.26260 33.08911 54.26260 33.08911 -0.000000      0.000000 
1 1 1 -30 0  33 o 33.33482 23.68742 -214.6050      198.1347 -214.6050      198.1347 -214.6050      198.1347 33.33482 23.68742 33.33482 23.68742 -0.000000      0.000000 
1 1 1 -30 0  34 o 91.86778 38.90781 421.4070       212.1237 421.4070       212.1237 421.4070       212.1237 91.86778 38.90781 91.86778 38.90781 -0.000000      0.000000 
1 1 1 -30 0  35 o 95.04481 37.39777 429.5237       199.9761 429.5237       199.9761 429.5237       199.9761 95.04481 37.39777 95.04481 37.39777 0.000000       0.000000 
1 1 1 -30 0  36 o 27.55039 20.11920 -410.6566      197.2419 -410.6566      197.2419 -410.6566      197.2419 27.55039 20.11920 27.55039 20.11920 -0.000000      0.000000 
1 1 1 -30 1  1  o 159.9725 37.05163 851.8494       340.7778 934.8256       487.2204 772.3800       476.8134 162.8302 47.85822 149.1511 48.00047 13.67905       67.78241 
1 1 1 -30 1  2  o 158.9806 37.03767 841.8041       338.8946 801.3289       467.5191 886.6205       491.9525 151.6104 47.37970 158.5534 48.44095 -6.942947      67.75959 
1 1 1 -30 1  3  o 256.0178 23.12567 2010.878       343.4883 2361.306       482.8148 1651.751       488.7715 273.2321 30.65814 223.2354 38.73693 49.99675       49.40113 
1 1 1 -30 1  4  o 210.0495 26.69081 1379.319       321.3868 1226.708       438.1934 1556.985       472.7956 190.6434 40.44597 216.5699 38.64182 -25.92645      55.93806 
1 1 1 -30 1  5  o 281.7027 20.63107 2412.093       338.4863 2408.104       484.9999 2415.880       472.6239 275.8813 30.48346 276.9247 29.55710 -1.043335      42.46014 
1 1 1 -30 1  6  o 323.6646 18.87772 3164.131       356.7847 3201.719       495.9080 3123.797       513.7018 321.0805 26.57295 316.1716 27.99263 4.908905       38.59675 
1 1 1 -30 1  7  o 102.9896 34.95491 327.9829       251.8293 840.2417       388.8100 -42.21103      330.5273 156.3257 41.65800 80.36917 35.55354 75.95656       54.76717 
1 1 1 -30 1  8  o 277.3755 15.94603 2307.924       258.3075 2307.146       363.9584 2308.714       366.6605 274.1386 22.84510 274.1400 23.01795 -0.1373291E-02 32.43031 
1 1 1 -30 1  9  o 282.0410 15.35819 2383.070       253.0819 2326.258       358.1999 2439.700       357.6245 275.4199 22.36819 282.4201 21.75907 -7.000214      31.20566 
1 1 1 -30 1  10 o 101.5708 33.34280 325.5780       229.4490 72.31841       315.7614 608.9136       333.9847 85.50553 36.26793 133.7747 39.70355 -48.26920      53.77485 
1 1 1 -30 1  11 o 241.9760 17.45938 1769.659       246.1057 1586.312       332.5386 1991.698       365.9472 225.2023 25.63358 252.9787 24.99130 -27.77635      35.80008 
1 1 1 -30 1  12 o 171.6627 23.28720 919.2842       228.4064 753.2128       305.4790 1129.838       343.9660 149.6065 35.37612 185.6385 32.79228 -36.03201      48.23695 
1 1 1 -30 1  13 o 97.37515 32.38414 299.1963       216.2223 186.0903       299.0449 423.1059       313.0013 91.63239 36.68381 113.7640 38.96244 -22.13165      53.51424 
1 1 1 -30 1  14 o 174.7282 21.53416 947.7474       216.0058 930.8151       304.4232 964.9164       306.5444 167.8042 32.10244 171.1485 31.70742 -3.344299      45.12125 
1 1 1 -30 1  15 o 95.35056 31.17810 291.0756       200.7095 234.8583       281.2229 349.4405       286.5440 93.72489 36.15233 104.8455 37.18975 -11.12064      51.86588 
1 1 1 -30 1  16 o 455.5856 11.51551 6179.708       307.4364 6266.085       438.8474 6096.461       430.8251 455.1937 16.46580 449.0485 16.38650 6.145264       23.23015 
1 1 1 -30 1  17 f 225.4479 18.69899 1562.965       245.0156 1342.162       273.2223 2469.763       553.6933 206.4035 22.95896 268.4779 36.07723 -62.07440      42.76307 
1 1 1 -30 1  18 o 197.7323 15.86770 1191.856       182.4668 1492.115       256.9589 886.4558       259.1492 218.8753 20.24725 163.8994 27.96264 54.97589       34.52332 
1 1 1 -30 1  19 o 102.4571 26.91038 352.2668       163.7522 343.2333       230.8953 361.4084       232.2720 100.2863 33.46773 102.4384 33.54277 -2.152145      47.38361 
1 1 1 -30 1  20 o 65.57590 26.71445 81.02962       161.6971 -132.0398      214.6710 360.4450       245.8317 57.24753 26.59108 101.5998 34.53547 -44.35225      43.58651 
1 1 1 -30 1  21 o 77.23386 27.74711 183.6093       160.0156 176.5943       224.4700 190.8573       228.1679 80.92883 31.98221 82.55828 32.36050 -1.629448      45.49796 
1 1 1 -30 1  22 o 253.0599 12.60168 1936.697       186.4377 2134.687       268.1223 1751.351       259.4185 262.0478 17.54738 236.2030 18.88403 25.84483       25.77823 
1 1 1 -30 1  23 o 100.4517 25.61661 345.2909       151.3617 570.4525       224.3643 157.2222       205.0524 126.3430 30.60636 76.69844 30.48532 49.64458       43.19843 
1 1 1 -30 1  24 o 41.62583 20.03523 -184.8733      144.2545 -217.2438      196.0156 -146.6277      213.0621 49.25222 23.61428 55.29943 25.94887 -6.047218      35.08530 
1 1 1 -30 1  25 o 188.8631 14.52854 1099.673       159.6876 1266.718       226.8752 935.6649       224.8037 198.8405 19.71431 167.7709 23.49022 31.06961       30.66667 
1 1 1 -30 1  26 f 98.53945 24.70938 336.7072       142.5215 231.5271       197.5418 450.8929       205.8250 82.65602 30.65060 110.1462 30.71249 -27.49014      43.39027 
1 1 1 -30 1  27 o 53.42720 23.40343 7.145778       139.9814 3.888826       197.4140 10.43926       198.5180 61.18082 27.24745 61.78396 27.43103 -0.6031456     38.66375 
1 1 1 -30 1  28 o 317.6427 12.91538 3094.599       240.0987 3106.288       271.9756 3053.316       511.1107 316.1974 14.70660 287.9778 30.73716 28.21960       34.07429 
1 1 1 -30 1  29 o 64.68947 24.78603 123.3675       131.5740 7.245323       186.3073 238.9093       185.8411 59.40880 26.46334 81.52475 29.81503 -22.11595      39.86533 
1 1 1 -30 1  30 o 73.34259 25.25442 187.0165       131.5516 298.9143       182.5952 66.25199       189.6918 88.40384 29.76546 63.92294 27.62917 24.48090       40.61224 
1 1 1 -30 1  31 o 64.87386 25.09683 127.7517       135.8132 239.9385       190.2285 11.11619       193.9636 80.43407 30.02925 59.80605 26.79527 20.62802       40.24603 
1 1 1 -30 1  32 f 84.78216 25.65598 267.0061       138.4454 280.8232       199.2695 254.1132       192.4893 84.37346 30.87078 81.37510 30.24091 2.998360       43.21478 
1 1 1 -30 1  33 o 65.89481 25.29191 139.9774       137.1615 206.0820       196.6711 77.37648       191.3882 75.80870 29.94341 63.77242 27.65783 12.03629       40.76228 
1 1 1 -30 1  34 o 72.32529 25.91245 190.2190       139.4494 180.2720       204.5698 198.8532       190.5935 72.91532 29.91625 74.27051 29.43246 -1.355186      41.96727 
1 1 1 -30 1  35 o 63.75894 27.43485 93.50538       185.4060 176.9749       212.0363 -177.5927      382.1284 72.44093 30.15760 65.64493 31.84073 6.796005       43.85559 
1 1 1 -30 1  36 o 52.31939 23.49280 1.889432       150.0042 -91.11067      210.6815 97.50636       213.6250 54.09742 25.51450 65.83515 28.87302 -11.73774      38.53104 
1 1 1 -30 2  1  o 170.8808 36.14304 964.6058       350.8866 636.1660       498.6754 1286.677       493.8173 138.4190 49.06470 193.0309 44.52754 -54.61195      66.25742 
1 1 1 -30 2  2  o 397.1288 18.56368 4749.725       431.1642 5168.017       613.7259 4342.077       605.8665 409.4377 25.68799 373.5761 27.85379 35.86154       37.89072 
1 1 1 -30 2  3  o 265.9037 22.75600 2165.442       351.4631 2458.637       501.3673 1882.148       492.8303 278.4428 31.24034 240.2893 36.08514 38.15355       47.72940 
1 1 1 -30 2  4  o 193.4102 29.51053 1188.205       324.1551 1068.347       434.4553 1338.719       486.8559 176.4375 42.49483 197.5860 43.21949 -21.14850      60.61134 
1 1 1 -30 2  5  o 157.9249 34.21086 820.0181       307.6787 620.1654       422.2857 1046.166       449.2079 135.6188 45.26081 173.5864 44.05695 -37.96767      63.16293 
1 1 1 -30 2  6  o 226.0114 24.41729 1580.803       318.5201 1383.490       424.4469 1835.165       481.9173 204.7899 36.68728 237.0870 35.77095 -32.29710      51.23980 
1 1 1 -30 2  7  o 80.20154 33.11328 91.49741       252.7029 456.6843       376.9866 -206.4881      340.5382 120.2007 42.65499 73.26594 33.84234 46.93472       54.44954 
1 1 1 -30 2  8  o 97.17290 35.07989 272.5777       256.1312 335.7682       390.8975 225.0363       339.0572 110.8324 42.65649 98.90250 39.23627 11.92995       57.95741 
1 1 1 -30 2  9  o 364.3807 13.31426 3953.702       284.0482 3783.826       397.8015 4130.412       405.7252 353.5262 19.25917 369.6894 18.77452 -16.16318      26.89606 
1 1 1 -30 2  10 o 75.88543 31.04819 89.72418       219.5708 132.6295       298.4915 39.13156       324.1306 88.03139 36.12968 84.20478 36.25392 3.826614       51.18301 
1 1 1 -30 2  11 o 169.8594 23.66798 900.6640       229.3825 670.8295       292.5465 1267.486       369.5854 141.3099 35.38263 196.9003 33.18355 -55.59041      48.50854 
1 1 1 -30 2  12 o 275.0905 15.57330 2273.732       250.2242 2082.322       327.7492 2541.203       387.4327 260.3077 21.66483 286.7629 23.23571 -26.45514      31.76891 
1 1 1 -30 2  13 f 334.8422 13.37141 3347.750       262.0558 3278.046       357.6415 3428.562       385.0838 328.5782 18.63558 335.4149 19.66216 -6.836731      27.09031 
1 1 1 -30 2  14 o 280.5301 14.23886 2359.451       233.4976 2208.166       321.1466 2529.118       340.0987 268.1877 20.57517 287.2650 20.31809 -19.07736      28.91648 
1 1 1 -30 2  15 o 118.4765 28.58942 462.5383       196.3551 571.9241       272.6329 344.6462       283.0351 129.2345 35.07951 104.1858 36.96080 25.04868       50.95755 
1 1 1 -30 2  16 o 57.74271 25.88819 -55.00460      181.3850 -280.0523      244.1904 222.0110       270.9214 55.67265 26.60193 91.35159 35.41718 -35.67893      44.29491 
1 1 1 -30 2  17 o 132.0402 24.29958 561.9573       181.2404 227.6842       250.2917 930.4485       262.7903 89.87361 34.24695 168.8886 27.47480 -79.01497      43.90579 
1 1 1 -30 2  18 o 100.3501 27.97260 337.2658       170.7671 347.0547       235.0809 326.3294       248.4779 101.3385 33.76859 99.26440 34.67945 2.074112       48.40435 
1 1 1 -30 2  19 o 55.03668 24.65875 -43.38337      164.2715 -65.42653      218.8625 -14.94355      248.5981 62.07375 28.07896 69.24731 30.72328 -7.173565      41.62148 
1 1 1 -30 2  20 o 55.03554 24.50645 -30.11437      159.6239 37.88557       215.2351 -113.2282      237.9554 68.41959 29.50096 61.60722 28.39705 6.812366       40.94752 
1 1 1 -30 2  21 o 57.24699 25.06228 -1.902871      160.3244 -14.24821      227.1094 10.36095       226.3583 65.80267 29.27034 67.39117 29.63285 -1.588501      41.65163 
1 1 1 -30 2  22 o 155.1519 17.63280 753.9269       157.6032 662.8343       232.4757 831.3978       214.3903 137.7716 29.65094 159.1870 23.68431 -21.41537      37.94898 
1 1 1 -30 2  23 f 121.9194 23.01474 492.1540       158.5310 500.9320       225.0099 483.5018       223.3922 117.3033 31.88043 115.1763 31.95199 2.127045       45.13636 
1 1 1 -30 2  24 o 101.2108 25.46550 352.0369       151.0087 335.0441       210.1739 370.1702       217.1122 96.36231 31.92415 100.5731 32.39233 -4.210747      45.47983 
1 1 1 -30 2  25 o 263.5960 11.78494 2103.474       181.7260 2252.254       260.0744 1961.529       254.0310 268.7152 16.58348 249.9260 17.44049 18.78922       24.06621 
1 1 1 -30 2  26 o 50.08461 22.58079 -35.51811      140.1805 -11.66095      196.7687 -60.10498      199.7553 60.41613 27.03441 57.62586 26.36013 2.790272       37.75866 
1 1 1 -30 2  27 o 96.80749 24.73327 328.6349       140.9205 486.2389       196.0632 160.2052       202.6851 114.9384 29.07078 74.71243 30.09991 40.22594       41.84632 
1 1 1 -30 2  28 o 145.5388 17.26334 677.4200       144.4846 514.2689       202.6432 846.1257       206.0640 117.4931 29.46463 158.2286 22.86839 -40.73552      37.29782 
1 1 1 -30 2  29 o 92.04388 24.90092 302.5313       137.6470 190.3547       202.0337 399.7093       188.0429 76.66532 30.32781 102.4644 29.62348 -25.79913      42.39489 
1 1 1 -30 2  30 o 134.1258 21.19235 607.4468       161.1714 795.3338       234.2842 438.6431       222.0678 146.8468 28.22894 103.8381 32.68316 43.00865       43.18636 
1 1 1 -30 2  31 o 92.68195 25.39230 314.7497       142.0778 213.5172       196.5300 425.5803       205.6358 77.61349 30.14465 102.7810 31.30212 -25.16752      43.45713 
1 1 1 -30 2  32 o 145.0745 17.54393 687.9792       146.2403 780.6960       212.8439 605.0708       201.2711 146.7243 25.66922 126.5363 27.87564 20.18803       37.89407 
1 1 1 -30 2  33 o 84.84587 25.94535 270.6185       141.0881 329.3494       208.2145 220.7585       191.8464 89.21548 31.69613 77.22498 29.84066 11.99050       43.53286 
1 1 1 -30 2  34 o 50.50610 22.75645 -11.47792      142.1126 61.97769       211.2601 -72.19073      192.0637 63.80082 28.31368 53.31773 24.89472 10.48309       37.70161 
1 1 1 -30 2  35 o 84.03343 27.03819 275.9606       151.2964 209.4551       204.1904 356.9234       225.2937 75.15601 30.23500 89.99180 32.84071 -14.83579      44.63931 
1 1 1 -30 2  36 f 47.57607 22.30502 -80.78273      156.8320 -248.1805      199.2897 191.5271       254.1802 45.81678 22.39388 74.58174 32.10756 -28.76497      39.14565 
1 1 1 -30 3  1  o 129.3325 38.72277 556.9805       316.6068 353.8964       433.8110 788.4372       463.1244 115.1880 44.77298 150.4738 47.17591 -35.28585      65.03989 
1 1 1 -30 3  2  o 368.9781 18.20845 4098.049       392.8081 4213.572       537.5912 3965.724       575.3591 370.0484 24.91621 356.9947 27.69715 13.05374       37.25520 
1 1 1 -30 3  3  o 348.5926 19.09456 3668.847       388.8810 4156.717       548.2996 3175.020       551.6371 366.9699 25.63760 317.5999 29.97012 49.37003       39.43976 
1 1 1 -30 3  4  o 229.4555 25.75695 1636.785       340.6347 1597.561       459.7192 1684.537       507.2392 220.4523 36.85739 224.4304 40.00444 -3.978088      54.39506 
1 1 1 -30 3  5  o 270.9568 18.19982 2215.539       287.5355 2115.704       456.2928 2281.294       370.3117 258.1838 30.73729 272.4971 23.39784 -14.31326      38.62952 
1 1 1 -30 3  6  o 172.4520 31.55752 960.9271       307.4117 991.2844       398.1820 916.1345       483.6741 170.6382 40.41494 160.5621 47.81069 10.07608       62.60375 
1 1 1 -30 3  7  o 69.87910 31.13739 -62.85173      258.1481 389.1055       388.1325 -421.3793      345.6947 114.9503 42.89830 65.43717 31.37048 49.51317       53.14481 
1 1 1 -30 3  8  o 201.8050 31.25207 1308.662       357.9328 0.000000       0.000000 1308.662       357.9328 ?        ?        201.8050 31.25207 0.000000       31.25207 
1 1 1 -30 3  9  o 234.0128 17.82269 1655.699       242.7640 1692.923       321.7928 1606.529       369.8401 233.9582 23.78260 225.2935 28.63699 8.664749       37.22485 
1 1 1 -30 3  10 o 400.8453 12.64229 4778.784       296.8312 4827.627       405.1382 4722.180       436.1394 400.4574 17.29103 395.0728 18.87801 5.384613       25.59998 
1 1 1 -30 3  11 o 223.0488 17.83130 1507.568       231.3153 1270.574       304.8220 1829.336       355.1804 200.7371 26.54191 242.0207 25.40148 -41.28357      36.73838 
1 1 1 -30 3  12 o 289.8602 14.44141 2515.942       244.7252 2599.156       321.5114 2401.318       377.3416 292.5230 18.84089 278.5878 23.30867 13.93515       29.97121 
1 1 1 -30 3  13 o 236.8710 16.84714 1697.242       232.5116 2008.758       306.0647 1272.112       357.5476 255.9337 20.56378 197.1331 32.02403 58.80061       38.05795 
1 1 1 -30 3  14 o 238.4031 15.90541 1715.675       221.1139 1681.901       290.9058 1761.883       340.2690 233.3193 21.50108 236.8655 24.86483 -3.546249      32.87181 
1 1 1 -30 3  15 o 66.70329 28.28497 35.35067       191.9651 3.374548       255.9115 76.49370       290.2853 72.84260 31.78164 81.83503 34.74513 -8.992432      47.08818 
1 1 1 -30 3  16 o 217.7473 15.74771 1436.489       199.7453 1420.699       269.3108 1455.795       297.7975 213.4561 21.81929 214.7585 24.05692 -1.302368      32.47794 
1 1 1 -30 3  17 o 270.5324 16.20040 2223.677       255.8595 2007.241       283.5560 3172.063       593.5630 255.2682 19.07850 306.9749 33.51332 -51.70668      38.56335 
1 1 1 -30 3  18 o 248.7367 16.18688 1886.447       234.8486 1732.070       257.5299 2648.866       572.3113 236.7963 18.69553 275.5992 36.28910 -38.80296      40.82183 
1 1 1 -30 3  19 o 98.74651 27.21617 328.2782       162.6671 393.8393       218.9062 247.4378       243.0801 106.3535 32.27729 90.04703 33.87734 16.30645       46.79207 
1 1 1 -30 3  20 f 46.60352 22.04205 -154.4888      159.2981 -265.2099      208.1820 1.916518       247.4308 49.74445 23.97461 69.67130 30.79401 -19.92685      39.02631 
1 1 1 -30 3  21 o 312.9303 11.32061 2939.161       207.4205 2939.335       289.8627 2938.979       296.9391 309.3985 16.02902 309.0172 16.44374 0.3813477      22.96358 
1 1 1 -30 3  22 o 42.42348 20.41996 -194.3280      149.8822 -321.1324      197.0824 -20.38576      230.8253 45.39898 22.20668 65.48279 29.29264 -20.08381      36.75861 
1 1 1 -30 3  23 o 64.44836 25.53573 98.20276       143.4440 149.9520       196.2465 38.83758       210.1917 75.20301 29.84532 66.81311 28.98058 8.389900       41.60068 
1 1 1 -30 3  24 o 61.17632 25.06069 71.57035       143.2694 345.4415       200.7100 -212.9424      204.5723 97.79216 31.10861 50.75811 24.27938 47.03405       39.46181 
1 1 1 -30 3  25 o 48.83318 22.23521 -53.73881      140.0295 33.98435       202.6102 -133.9574      193.7500 64.84879 28.28665 52.74773 24.74941 12.10106       37.58548 
1 1 1 -30 3  26 o 60.23549 24.67420 73.67784       138.8768 146.6187       189.0924 -11.74209      204.6295 72.94168 29.18088 61.35709 27.50372 11.58459       40.09960 
1 1 1 -30 3  27 o 64.85021 25.67180 111.0497       144.8551 179.7927       196.9389 30.02269       213.8120 76.26181 30.01263 64.86797 28.65036 11.39384       41.49218 
1 1 1 -30 3  28 o 100.7358 24.73494 357.6950       145.0426 448.2883       201.1341 259.5446       209.3552 108.6196 30.38752 84.73241 31.52848 23.88715       43.78865 
1 1 1 -30 3  29 o 91.79380 25.10362 301.8928       139.0099 282.4247       194.6829 322.1427       198.5537 86.67719 30.66301 91.48183 31.03814 -4.804634      43.63011 
1 1 1 -30 3  30 f 114.5012 22.81328 454.7962       147.8143 494.3287       196.0664 402.7411       224.9870 113.8605 29.21829 99.16878 33.03541 14.69170       44.10268 
1 1 1 -30 3  31 o 147.0623 17.28932 701.4596       146.2726 861.6121       192.5235 482.7840       224.9662 159.6349 21.07849 108.1071 32.70244 51.52779       38.90697 
1 1 1 -30 3  32 o 138.5329 17.85189 630.2312       141.6719 881.5844       203.4543 393.6341       197.3919 159.6185 22.34498 98.41368 30.79092 61.20479       38.04443 
1 1 1 -30 3  33 f 46.49839 21.32533 -45.01428      131.8751 19.18262       190.6722 -103.8837      182.5893 59.28081 26.56292 50.62002 23.83693 8.660789       35.69016 
1 1 1 -30 3  34 o 72.85092 26.47497 194.2228       146.2024 232.6661       202.3086 152.1983       211.5217 77.85038 30.48447 70.67740 29.81682 7.172981       42.64206 
1 1 1 -30 3  35 o 66.74896 26.99783 141.3129       163.7736 227.2639       219.3446 33.03041       246.1957 77.06353 31.21728 64.39453 29.38319 12.66900       42.87063 
1 1 1 -30 3  36 o 62.88695 26.07603 110.9750       157.6306 186.7789       213.0222 19.23445       234.3472 72.81811 30.26392 62.27950 28.51242 10.53861       41.57960 
1 1 1 -30 4  1  o 269.5135 21.09103 2211.426       330.7184 1732.364       436.9911 2853.656       505.9665 232.2122 33.01693 301.6947 28.95076 -69.48248      43.91201 
1 1 1 -30 4  2  f 369.0763 18.36653 4102.985       396.3027 4663.723       549.0644 3493.170       572.5889 389.8720 24.13152 333.5024 29.58129 56.36960       38.17569 
1 1 1 -30 4  3  o 357.4002 18.66439 3852.092       389.8626 3815.974       523.9480 3896.896       583.5538 351.4995 25.59165 353.1775 28.41286 -1.677917      38.23903 
1 1 1 -30 4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  5  o 144.0267 37.48161 696.8716       319.6046 687.5930       411.3658 711.0018       507.6471 141.4399 44.47830 143.6446 49.60378 -2.204697      66.62472 
1 1 1 -30 4  6  o 235.9341 21.22325 1700.863       290.5304 1307.999       425.3199 2044.538       397.8032 198.0729 37.99516 255.8512 26.91385 -57.77829      46.56165 
1 1 1 -30 4  7  o 69.34924 30.74941 -49.62764      248.6380 237.1087       365.8328 -295.7827      338.9577 101.8428 40.64022 69.20634 32.55457 32.63644       52.07137 
1 1 1 -30 4  8  o 363.3397 14.52612 3942.291       308.9134 3728.690       449.5337 4133.409       425.2187 349.2598 22.05908 369.2908 19.70464 -20.03107      29.57830 
1 1 1 -30 4  9  o 89.13486 33.36000 210.7955       235.0622 157.6252       321.7672 271.6467       344.2244 92.12580 37.62644 102.6674 39.88942 -10.54158      54.83535 
1 1 1 -30 4  10 o 322.8911 13.86391 3112.268       261.9264 3093.713       344.7054 3137.618       402.9070 319.7576 18.45978 320.2335 21.57897 -0.4758606     28.39746 
1 1 1 -30 4  11 o 101.0253 32.00260 327.4786       212.6019 539.8780       271.4684 -9.429205      341.8993 126.7569 35.24470 82.89584 36.43567 43.86108       50.69267 
1 1 1 -30 4  12 o 155.2757 24.81477 762.0419       218.3730 765.1407       282.6229 757.4510       343.9957 151.8804 32.69734 147.9463 39.07273 3.934097       50.94894 
1 1 1 -30 4  13 o 149.7592 24.81643 711.5795       210.3367 621.1445       268.0833 856.4003       339.2477 135.7915 33.79688 158.0230 37.22276 -22.23151      50.27686 
1 1 1 -30 4  14 o 293.5113 15.26013 2592.468       261.7818 2762.724       376.2146 2432.654       364.4943 299.2711 21.57975 280.2311 22.36349 19.04004       31.07751 
1 1 1 -30 4  15 o 118.1404 28.25337 460.0825       193.1133 513.1878       248.8794 379.7343       306.1316 122.8168 33.59069 108.1620 38.43248 14.65474       51.04302 
1 1 1 -30 4  16 o 288.2486 14.38686 2501.262       242.4425 2867.091       310.0249 1925.352       388.9871 306.9167 17.29362 244.4124 27.62032 62.50424       32.58760 
1 1 1 -30 4  17 o 120.4540 25.80949 476.0546       176.8412 449.4582       239.1413 508.1488       262.6976 114.0114 33.53424 120.3936 35.07430 -6.382202      48.52578 
1 1 1 -30 4  18 o 100.1888 27.66767 336.8029       167.9249 401.8802       219.2938 244.5449       261.1039 107.8609 32.21118 91.25378 34.92832 16.60708       47.51366 
1 1 1 -30 4  19 o 190.6574 16.04223 1114.538       177.7156 1081.105       234.9829 1159.215       271.6389 184.1930 22.19979 188.7547 25.16463 -4.561752      33.55726 
1 1 1 -30 4  20 o 100.8059 26.68761 344.7366       160.2332 794.9268       215.5406 -211.4127      239.5668 155.8620 24.37786 56.83065 26.92405 99.03139       36.32058 
1 1 1 -30 4  21 o 92.67890 27.47077 293.5032       159.9693 407.6045       209.8308 135.1484       247.1950 107.0488 31.39196 78.89285 32.67833 28.15591       45.31367 
1 1 1 -30 4  22 o 271.7840 12.06334 2229.200       191.8044 2210.361       261.4685 2251.148       282.2238 267.1418 16.77354 268.5071 18.02648 -1.365387      24.62328 
1 1 1 -30 4  23 o 227.9052 12.92916 1578.155       172.1035 1615.945       235.6651 1534.968       251.9306 227.1167 17.83576 219.7505 19.75867 7.366196       26.61803 
1 1 1 -30 4  24 o 99.18081 25.37592 338.6331       148.1918 375.1373       199.1040 293.2943       221.8930 101.6608 30.76808 91.26796 32.68823 10.39281       44.89092 
1 1 1 -30 4  25 o 81.85575 26.33270 230.1547       143.5085 201.2866       193.0041 265.8497       214.6151 79.48411 30.12364 87.39403 32.02749 -7.909920      43.96810 
1 1 1 -30 4  26 o 46.52231 21.65151 -91.47150      143.4086 -157.6485      201.2759 -23.23713      204.3806 52.29220 24.74573 60.47338 27.26501 -8.181175      36.82027 
1 1 1 -30 4  27 o 44.78875 20.86263 -87.12475      133.6009 8.665610       175.7349 -218.3078      205.6535 58.66600 25.93979 49.85344 23.97656 8.812561       35.32348 
1 1 1 -30 4  28 o 151.7497 16.37486 730.7211       143.4276 696.4627       195.2994 770.8310       211.3211 142.0244 24.32125 148.8399 25.10075 -6.815506      34.95098 
1 1 1 -30 4  29 o 154.0150 16.66727 757.4583       148.1530 566.9574       196.0260 1011.230       226.2490 124.5511 27.56561 172.2953 22.96155 -47.74420      35.87612 
1 1 1 -30 4  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 4  31 o 130.4304 20.25533 572.6625       149.9177 477.9321       196.1017 705.8927       232.5616 110.7293 29.61992 135.1409 30.11339 -24.41155      42.23927 
1 1 1 -30 4  32 o 108.1816 23.28986 416.2364       143.3882 581.9548       205.5466 259.1445       200.1253 122.6737 29.02573 81.80492 30.74679 40.86879       42.28307 
1 1 1 -30 4  33 o 55.38765 23.90313 42.57281       141.5479 -50.55884      207.4772 123.6630       193.6003 56.72192 26.27595 67.73618 28.54813 -11.01427      38.79976 
1 1 1 -30 4  34 o 48.18175 22.36324 -62.44324      151.3967 -235.8570      211.2097 120.8243       217.1275 48.17245 23.43606 68.41280 29.56477 -20.24036      37.72697 
1 1 1 -30 4  35 o 49.13030 22.68087 -48.82547      152.6393 -20.52371      196.8019 -91.55383      241.8137 56.62294 25.99924 57.60413 27.21870 -0.9811897     37.64064 
1 1 1 -30 4  36 o 48.39423 22.41487 -52.79232      150.8979 -101.0544      201.5838 8.718273       227.5765 52.41320 24.79156 61.02391 27.99715 -8.610710      37.39601 
1 1 1 -30 5  1  o 124.1768 38.12928 510.0080       304.3135 806.0409       403.2709 118.4862       463.7724 152.8700 43.12104 102.4296 43.71724 50.44044       61.40539 
1 1 1 -30 5  2  o 144.1746 36.64623 694.4050       310.4747 589.8965       405.1469 843.1008       483.2657 132.7782 44.33324 154.5927 48.14946 -21.81453      65.45079 
1 1 1 -30 5  3  o 235.0408 24.50455 1708.556       332.8300 1596.822       429.0004 1877.495       527.5098 222.0149 34.03099 237.5867 39.22568 -15.57181      51.93036 
1 1 1 -30 5  4  o 199.9350 28.01551 1261.132       319.4989 693.5272       396.6078 2310.438       539.2493 142.0871 43.51037 266.6996 35.34532 -124.6125      56.05750 
1 1 1 -30 5  5  o 264.5653 19.02675 2119.470       293.2500 2028.657       433.8996 2195.829       397.8746 253.1555 29.79465 265.8523 25.84427 -12.69682      39.44170 
1 1 1 -30 5  6  o 228.1960 20.91519 1590.739       276.8013 1763.513       411.4043 1447.836       374.1542 235.3147 30.52944 212.7304 30.89202 22.58434       43.43229 
1 1 1 -30 5  7  o 54.70765 26.31854 -336.0465      248.1958 -244.6934      342.5140 -437.0514      360.1536 71.73079 33.40960 66.67233 31.97771 5.058464       46.24689 
1 1 1 -30 5  8  o 62.14938 28.42430 -125.7840      232.1285 -334.3370      318.7267 109.7899       338.7456 64.94090 30.85018 90.38568 37.90796 -25.44478      48.87481 
1 1 1 -30 5  9  o 326.6566 14.96141 3193.578       285.8641 2863.670       406.8173 3515.359       401.7756 305.1633 22.89788 339.9437 20.24405 -34.78046      30.56362 
1 1 1 -30 5  10 o 246.6813 18.09402 1843.661       259.9501 2165.735       356.8328 1479.447       379.4596 264.8136 23.21041 214.2029 31.11517 50.61072       38.81851 
1 1 1 -30 5  11 o 377.5070 12.77939 4244.877       282.5265 4137.453       371.8846 4391.512       434.4851 370.3918 17.16640 380.0636 19.55831 -9.671783      26.02331 
1 1 1 -30 5  12 o 335.3342 13.14663 3355.762       258.0480 3244.892       333.2260 3521.848       407.8490 327.6059 17.40597 339.3242 20.59126 -11.71838      26.96234 
1 1 1 -30 5  13 o 139.0629 26.64404 623.0538       209.3931 725.7478       266.9788 458.9160       337.5271 147.8643 31.73629 117.2461 40.44897 30.61829       51.41315 
1 1 1 -30 5  14 o 52.36662 24.71898 -194.6600      198.5105 -269.0209      248.9574 -64.84785      328.9353 57.04625 27.14698 77.54790 34.80748 -20.50164      44.14203 
1 1 1 -30 5  15 o 106.7777 30.11402 379.6780       196.6965 267.4905       256.1940 540.7596       306.9867 94.80013 34.95019 124.3138 38.31900 -29.51368      51.86387 
1 1 1 -30 5  16 o 218.3742 23.96506 1509.263       301.8869 2619.930       608.3017 1146.326       347.7304 273.5120 39.02765 183.7881 33.49445 89.72385       51.42990 
1 1 1 -30 5  17 o 129.3490 24.51051 543.1254       179.1330 579.0258       231.7740 489.8677       282.2971 130.3542 30.80799 117.5191 36.83020 12.83512       48.01662 
1 1 1 -30 5  18 o 69.43700 27.47742 108.4681       165.8921 235.9790       210.0014 -103.1745      270.5515 87.36975 31.73306 66.95399 30.64620 20.41576       44.11549 
1 1 1 -30 5  19 o 167.9208 17.30872 873.3010       168.0197 939.4905       219.7472 780.1436       260.6978 171.2906 22.41159 150.6207 30.55825 20.66991       37.89573 
1 1 1 -30 5  20 o 91.32719 27.70751 282.8391       161.3280 231.2895       208.6163 359.5319       254.4560 85.72449 31.54975 101.0171 35.10661 -15.29259      47.20022 
1 1 1 -30 5  21 o 264.4036 12.44407 2111.101       192.4243 2211.725       258.6360 1986.349       287.9815 267.7050 16.55433 251.0578 19.71681 16.64725       25.74487 
1 1 1 -30 5  22 o 109.9377 24.43109 406.7336       153.4341 403.3305       203.7262 411.1938       233.2317 106.0620 30.88433 105.8877 33.51641 0.1742859      45.57622 
1 1 1 -30 5  23 o 52.33492 23.52711 -37.28423      150.9309 -179.6700      196.7417 166.3653       235.2908 51.20795 24.30078 79.57732 32.29683 -28.36937      40.41798 
1 1 1 -30 5  24 f 94.89194 26.07753 312.6637       149.5875 345.4719       201.9072 272.7440       222.7179 97.52337 31.22077 88.87312 32.61712 8.650246       45.15100 
1 1 1 -30 5  25 o 80.53316 25.89881 222.1333       138.8259 246.9205       189.1976 193.2213       204.3341 84.53094 30.19451 79.08430 30.73136 5.446640       43.08276 
1 1 1 -30 5  26 o 124.9244 19.82482 510.5065       140.4012 562.6138       196.0758 455.6752       201.1355 125.7152 27.37194 110.6318 30.17259 15.08347       40.73829 
1 1 1 -30 5  27 f 108.3756 22.96587 402.0836       141.4286 385.1213       187.9815 424.2081       214.6892 101.4022 29.70622 104.7033 32.00272 -3.301056      43.66502 
1 1 1 -30 5  28 o 131.3564 19.11186 564.4384       142.9177 650.7905       186.4390 441.3901       222.5555 137.3454 24.02001 105.5980 32.64012 31.74734       40.52578 
1 1 1 -30 5  29 o 111.8928 23.54632 436.3825       149.6169 498.1164       195.5016 349.1155       232.4413 115.0944 28.98438 93.43859 33.45728 21.65578       44.26606 
1 1 1 -30 5  30 o 225.4942 15.77414 1611.859       207.2926 1439.839       262.7022 1895.697       337.4495 205.9022 22.10011 231.8452 25.22376 -25.94302      33.53585 
1 1 1 -30 5  31 o 114.5531 22.71038 458.8553       147.1821 266.1940       192.1772 732.1801       228.8991 83.16833 30.33415 138.7701 29.05838 -55.60178      42.00655 
1 1 1 -30 5  32 o 43.99296 20.71896 -98.72619      138.0270 -131.7772      191.0322 -62.62510      199.6522 50.47947 23.95232 55.32084 25.67828 -4.841373      35.11534 
1 1 1 -30 5  33 o 120.2583 20.62799 496.0190       140.2510 424.4360       196.8936 569.7521       199.8286 101.8027 30.54976 121.1957 28.58132 -19.39306      41.83515 
1 1 1 -30 5  34 o 97.10203 26.19988 360.6698       152.6245 269.2612       201.4744 483.7666       233.8030 81.53045 30.80506 104.1380 33.62095 -22.60754      45.59956 
1 1 1 -30 5  35 o 79.44318 27.50154 246.1323       156.0827 93.32082       214.9685 416.5135       226.9904 65.87928 28.92583 96.44331 33.17500 -30.56403      44.01460 
1 1 1 -30 5  36 f 71.00597 27.13209 185.3247       157.3761 245.1718       216.1369 117.7898       229.5997 77.93680 31.19159 67.97739 29.86900 9.959412       43.18649 
1 1 1 -30 6  1  o 102.7027 37.83937 299.4971       300.2205 53.12772       377.7328 722.0657       494.6978 90.99445 39.15663 144.4756 48.99244 -53.48114      62.71763 
1 1 1 -30 6  2  o 150.8038 35.34922 754.8535       307.1631 1056.101       399.4857 319.1904       480.4128 176.7841 39.52446 115.1764 46.36211 61.60769       60.92313 
1 1 1 -30 6  3  o 207.9559 31.69373 1388.490       374.3391 0.000000       0.000000 1388.490       374.3391 ?        ?        207.9559 31.69373 0.000000       31.69373 
1 1 1 -30 6  4  o 370.8120 15.18478 4110.249       329.5287 3995.818       489.6817 4204.959       445.4939 361.0357 23.25028 372.1914 20.48818 -11.15576      30.98937 
1 1 1 -30 6  5  o 132.5529 33.26361 579.8231       258.1421 114.2360       363.0290 1056.019       367.1418 93.16279 39.16855 178.2927 36.34566 -85.12991      53.43391 
1 1 1 -30 6  6  o 66.55046 29.80171 -72.46292      239.5975 -74.42960      322.7824 -70.04955      357.5650 77.51888 34.66082 81.79675 36.53356 -4.277863      50.35944 
1 1 1 -30 6  7  o 57.95816 27.18540 -208.2242      233.4446 -16.59880      308.9016 -463.4031      356.4643 79.10787 34.70609 65.28616 31.44146 13.82172       46.83031 
1 1 1 -30 6  8  o 54.72324 26.17388 -292.7858      237.6372 -270.8576      321.0660 -319.3523      353.3948 67.73260 31.80547 69.91457 32.99592 -2.181969      45.82923 
1 1 1 -30 6  9  o 189.1194 23.20527 1110.822       251.9912 1155.121       339.0753 1056.171       376.6120 188.5665 31.79000 176.9218 37.46438 11.64473       49.13434 
1 1 1 -30 6  10 o 268.8045 16.53595 2177.659       259.4233 2492.926       360.1340 1837.611       374.0198 284.9600 21.71260 241.5418 26.85646 43.41824       34.53558 
1 1 1 -30 6  11 o 193.5963 20.76838 1154.056       232.1217 1023.825       296.7198 1359.456       372.6402 178.0725 29.43963 204.0030 32.21404 -25.93044      43.63984 
1 1 1 -30 6  12 o 82.99893 30.87539 185.8951       200.7468 99.96688       251.1889 337.7970       333.9752 79.85872 32.99693 106.3591 39.77276 -26.50034      51.67852 
1 1 1 -30 6  13 o 82.28400 30.30776 187.2337       192.5788 206.4723       238.2581 150.9794       327.0696 88.00143 33.44202 90.83026 37.60283 -2.828827      50.32237 
1 1 1 -30 6  14 o 239.3306 15.37090 1728.590       214.6081 1522.182       272.3827 2066.470       348.4951 221.7011 21.20708 257.1897 23.35882 -35.48862      31.54956 
1 1 1 -30 6  15 o 174.5548 19.68396 943.4916       197.9993 1034.836       253.1078 799.4426       317.8484 180.3737 24.56433 151.4562 36.26416 28.91754       43.80064 
1 1 1 -30 6  16 o 237.1222 15.93722 1708.309       220.3462 1455.442       298.9690 2009.003       326.0184 213.9537 24.25359 253.2425 22.17455 -39.28882      32.86256 
1 1 1 -30 6  17 o 182.1090 17.44328 1020.949       184.0241 926.1064       237.2433 1164.210       291.5784 169.5328 24.57690 188.6407 27.13512 -19.10786      36.61063 
1 1 1 -30 6  18 o 302.7024 11.72195 2745.495       207.7039 2642.684       278.1547 2875.073       312.2721 294.1458 16.18641 305.8337 17.48277 -11.68790      23.82535 
1 1 1 -30 6  19 o 246.4317 13.12643 1834.858       189.0271 1911.913       247.1505 1726.256       293.4125 249.1046 17.01946 233.1751 21.70512 15.92952       27.58214 
1 1 1 -30 6  20 o 297.2996 11.77231 2657.469       204.8553 2754.327       274.9719 2536.651       307.1021 299.8325 15.69182 285.3888 18.44710 14.44373       24.21836 
1 1 1 -30 6  21 o 195.8108 14.41949 1172.566       164.4297 1136.443       216.6654 1221.628       252.5047 189.3881 19.79898 194.3235 22.57585 -4.935349      30.02780 
1 1 1 -30 6  22 o 128.5599 21.74122 539.3965       158.0849 636.4865       210.0471 412.5542       240.0830 136.2119 27.24603 105.6532 34.06593 30.55862       43.62148 
1 1 1 -30 6  23 o 266.7837 12.22052 2154.437       190.6973 2023.830       257.2899 2313.644       284.0674 254.5713 17.33652 271.6852 17.92831 -17.11383      24.93951 
1 1 1 -30 6  24 o 167.9817 15.65567 877.5774       152.4595 963.2000       210.0402 782.2290       221.6485 172.0940 21.26241 151.4401 25.88516 20.65396       33.49823 
1 1 1 -30 6  25 o 48.88090 22.28568 -54.19147      141.2435 -160.3145      185.7991 91.09963       217.3994 49.93639 23.67341 70.57519 30.02034 -20.63880      38.23154 
1 1 1 -30 6  26 o 54.13856 23.41785 20.19680       136.4778 97.33441       186.9575 -67.80377      199.6883 67.65206 28.25283 56.84177 26.13255 10.81030       38.48549 
1 1 1 -30 6  27 o 118.3907 20.93959 467.4055       140.0727 550.8590       192.9188 374.3580       203.7065 123.8020 27.30497 98.84752 31.32756 24.95449       41.55692 
1 1 1 -30 6  28 o 155.6270 16.26398 768.7856       146.2549 866.9531       195.8348 644.9793       219.9265 161.2722 21.21954 131.8669 29.20779 29.40536       36.10213 
1 1 1 -30 6  29 o 160.8588 16.21281 823.7783       150.8669 968.8452       200.8807 636.0905       228.4925 170.7528 20.46681 128.6125 30.71643 42.14027       36.91056 
1 1 1 -30 6  30 o 191.8129 17.25124 1186.269       191.9946 1344.366       246.7452 943.6609       305.6609 199.5751 21.41560 150.7799 35.20754 48.79526       41.20921 
1 1 1 -30 6  31 o 141.3076 17.91839 654.5403       145.1622 790.8223       190.2114 464.4636       224.6373 151.6473 22.03112 105.2590 32.83439 46.38837       39.54070 
1 1 1 -30 6  32 o 165.0311 15.29844 868.5115       146.3833 773.9528       195.8019 988.3328       220.4108 148.3801 23.26463 168.2520 22.93321 -19.87183      32.66764 
1 1 1 -30 6  33 o 97.60143 25.82575 358.7879       150.1010 360.5067       204.4720 356.7792       221.0450 92.65883 31.49656 91.23927 32.63177 1.419563       45.35268 
1 1 1 -30 6  34 o 45.17282 21.32085 -100.0706      147.6072 -193.6640      200.9320 9.647723       217.5534 48.44005 23.39732 60.74020 27.67931 -12.30014      36.24332 
1 1 1 -30 6  35 o 155.6366 18.05740 806.3939       161.7672 975.2596       226.4047 630.2718       231.2180 163.9950 24.27184 122.1346 31.92774 41.86044       40.10614 
1 1 1 -30 7  1  o 84.27311 35.78020 62.67463       307.8372 -607.2723      382.2699 1298.630       519.2197 64.28894 31.33322 191.7675 46.62467 -127.4786      56.17500 
1 1 1 -30 7  2  o 139.7938 50.22795 660.0545       524.3622 0.000000       0.000000 660.0545       524.3622 ?        ?        139.7938 50.22795 0.000000       50.22795 
1 1 1 -30 7  3  o 148.9021 34.53202 734.5031       295.6930 908.7316       376.2887 453.2274       478.1097 163.4232 39.66613 123.6506 47.28036 39.77265       61.71575 
1 1 1 -30 7  4  o 385.6379 22.18038 4542.850       499.5320 4542.850       499.5320 0.000000       0.000000 385.6379 22.18038 ?        ?        0.000000       22.18038 
1 1 1 -30 7  5  o 470.7170 13.87450 6602.663       382.6076 7150.053       606.5732 6240.963       493.0697 484.5985 21.39550 454.8019 18.52445 29.79663       28.30058 
1 1 1 -30 7  6  o 114.5105 33.54168 430.6306       239.6713 370.9593       315.9869 511.4614       367.7686 109.7670 39.04174 124.3857 42.24149 -14.61869      57.52044 
1 1 1 -30 7  7  o 127.9823 32.44164 541.0526       243.7859 551.3351       322.9818 527.4379       371.6489 127.7553 39.29116 125.7182 42.46545 2.037041       57.85421 
1 1 1 -30 7  8  o 96.10307 33.67518 277.9845       234.4025 319.4908       305.0087 218.1054       366.3474 104.1102 38.17662 99.92103 40.39177 4.189148       55.57832 
1 1 1 -30 7  9  o 195.5895 22.38520 1184.297       252.1573 1215.620       332.2500 1141.748       387.2420 194.2395 30.14242 184.0217 37.16225 10.21777       47.84975 
1 1 1 -30 7  10 o 245.7056 17.73376 1829.782       253.8251 1462.223       329.3703 2367.279       398.2983 215.1008 26.68074 275.4790 24.92230 -60.37816      36.51004 
1 1 1 -30 7  11 o 208.5240 19.23411 1329.841       232.5733 1268.265       303.5285 1417.400       361.9459 199.9919 26.53229 209.2659 30.37823 -9.273972      40.33360 
1 1 1 -30 7  12 o 173.8226 22.29897 942.4792       222.0924 1002.098       291.8261 860.4232       342.3649 175.6932 29.35671 157.9120 37.52460 17.78120       47.64360 
1 1 1 -30 7  13 o 116.1805 29.28310 446.8057       199.4294 493.0851       247.9722 362.0548       335.5685 120.5819 33.74306 107.8388 39.95595 12.74313       52.29791 
1 1 1 -30 7  14 f 142.0674 23.81593 642.9067       191.4161 619.3623       237.0384 687.0398       324.5311 136.2250 30.43741 139.3587 38.45459 -3.133743      49.04275 
1 1 1 -30 7  15 o 140.9377 23.34986 633.8491       186.2502 637.3204       227.4966 626.7928       324.3481 138.5266 28.93676 132.0776 39.10809 6.449020       48.64956 
1 1 1 -30 7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 7  17 o 329.3708 11.72631 3247.113       226.1536 3415.075       309.2647 3054.064       331.5565 335.0601 15.78263 315.1018 18.01648 19.95828       23.95173 
1 1 1 -30 7  18 o 371.4784 12.11072 4142.268       263.4955 3773.182       379.2903 4486.553       366.3255 349.0981 18.59272 383.0265 16.34509 -33.92838      24.75584 
1 1 1 -30 7  19 o 273.3577 12.11766 2248.585       193.7849 2159.408       247.0273 2391.270       312.4705 265.4143 15.94325 276.5234 19.39046 -11.10907      25.10333 
1 1 1 -30 7  20 o 170.8803 16.37136 903.5533       162.0650 1041.364       206.2528 681.1523       262.0154 181.5122 19.69010 137.6507 32.90398 43.86156       38.34542 
1 1 1 -30 7  21 o 179.7389 15.49671 996.1043       161.7612 1010.774       208.9333 974.1527       255.5827 177.9894 20.38254 170.2319 26.45899 7.757568       33.39949 
1 1 1 -30 7  22 o 162.8568 16.76063 827.8785       157.8005 638.5961       205.7926 1097.989       245.8360 136.7526 26.61721 182.8262 23.46805 -46.07364      35.48557 
1 1 1 -30 7  23 o 165.7440 16.51602 857.8832       158.4091 842.5900       205.7810 880.1272       248.1766 160.2456 22.51645 159.9291 27.44766 0.3165436      35.50162 
1 1 1 -30 7  24 o 59.65041 24.86238 58.66311       144.3615 44.51631       188.8673 78.54247       223.8870 64.04421 27.62479 70.56593 30.25225 -6.521713      40.96740 
1 1 1 -30 7  25 o 119.5926 21.46107 475.0101       144.9932 510.4895       195.0076 431.1473       216.8263 119.1444 28.32551 106.5849 32.07561 12.55949       42.79228 
1 1 1 -30 7  26 o 51.40127 22.89727 -14.89334      139.4920 165.5434       185.1136 -251.9745      212.1897 74.11967 29.11942 49.45531 23.92562 24.66436       37.68788 
1 1 1 -30 7  27 o 53.49610 23.39384 11.05769       139.3433 115.0259       186.5867 -120.0437      209.5241 68.83569 28.44030 54.94292 25.76595 13.89277       38.37623 
1 1 1 -30 7  28 o 114.3787 22.08617 445.9390       142.7901 500.0569       188.3252 372.7557       218.9999 116.5547 27.91817 96.96786 32.59762 19.58689       42.91887 
1 1 1 -30 7  29 o 185.5052 15.31743 1085.968       165.1613 1081.267       199.1483 1096.327       295.5923 181.7791 18.95855 169.8356 30.81091 11.94351       36.17649 
1 1 1 -30 7  30 o 76.65189 25.84312 211.3393       137.6420 213.1839       173.6883 208.2252       225.6734 77.12296 28.71352 78.07932 31.65146 -0.9563599     42.73501 
1 1 1 -30 7  31 o 134.1864 18.69106 596.9025       143.1065 672.2128       188.3853 494.1469       220.0506 137.4501 24.25602 109.2760 32.17494 28.17414       40.29369 
1 1 1 -30 7  32 o 62.62267 25.45315 106.8093       146.3913 76.04134       189.4963 152.3508       230.5446 63.54745 27.54069 72.49266 30.87798 -8.945213      41.37559 
1 1 1 -30 7  33 o 157.4699 17.51666 815.1354       159.0358 830.5110       204.9660 791.8749       252.1017 152.6280 23.66355 139.4833 31.55792 13.14473       39.44447 
1 1 1 -30 7  34 o 114.6122 22.74259 469.4453       147.4725 372.2188       189.8414 617.3992       234.1864 94.52921 30.27469 120.3982 32.44032 -25.86901      44.37264 
1 1 1 -30 7  35 f 47.88831 22.16769 -54.17175      147.2698 -92.37663      194.2704 -2.553802      225.8123 52.14462 24.56496 60.49224 27.80298 -8.347622      37.10044 
1 1 1 -30 8  1  o 139.6438 37.81750 658.7083       317.2874 564.4495       389.6638 844.1643       546.5748 129.7539 43.48051 153.2524 51.49764 -23.49852      67.39854 
1 1 1 -30 8  2  o 257.1391 18.09193 1998.398       271.0957 1799.602       401.5232 2164.937       367.5058 238.2785 29.35227 264.8199 23.92027 -26.54134      37.86470 
1 1 1 -30 8  3  o 251.0903 18.11533 1906.428       264.9704 2085.962       384.4257 1743.938       365.7229 258.8987 25.65519 235.8513 26.92172 23.04745       37.18827 
1 1 1 -30 8  4  o 234.7411 18.63144 1670.822       254.3966 1557.141       349.9908 1798.163       370.4202 222.3937 27.41343 239.5033 26.83209 -17.10960      38.35957 
1 1 1 -30 8  5  o 355.3618 14.51897 3773.352       301.9545 3732.494       427.9395 3813.863       426.1226 349.9373 20.94759 353.9518 20.61693 -4.014465      29.39149 
1 1 1 -30 8  6  f 386.4377 14.26195 4459.647       322.6734 4351.597       456.8715 4567.186       455.7887 377.9779 20.68885 387.6426 20.11732 -9.664673      28.85715 
1 1 1 -30 8  7  o 277.3265 17.36461 2322.125       281.0102 2555.339       380.4218 2042.049       416.8946 288.1020 22.69804 253.9178 28.48572 34.18419       36.42303 
1 1 1 -30 8  8  o 172.5969 24.61312 935.5212       242.0938 1078.458       307.7065 703.2907       392.2145 182.9590 29.69400 141.4646 43.25897 41.49445       52.46973 
1 1 1 -30 8  9  o 170.2696 23.93320 909.0018       232.4069 769.6124       296.0559 1132.833       375.1626 151.6408 34.11728 183.5909 36.13036 -31.95010      49.69297 
1 1 1 -30 8  10 o 145.8234 27.69686 686.5054       228.2099 629.8520       288.9779 780.3853       371.9956 136.0280 35.75854 148.7951 41.21414 -12.76703      54.56444 
1 1 1 -30 8  11 o 224.0537 18.22388 1529.339       237.3998 1523.387       315.3627 1537.122       360.6428 220.1628 24.85812 218.7445 28.81170 1.418320       38.05313 
1 1 1 -30 8  12 o 146.6894 25.91029 690.5031       214.7570 908.8399       272.7252 334.1564       348.4160 167.1901 28.85661 106.1583 40.41723 61.03181       49.66142 
1 1 1 -30 8  13 o 56.91578 25.95252 -93.25513      191.6321 -183.1051      236.7757 77.35342       326.2710 59.05560 27.59586 85.28942 36.54135 -26.23382      45.79084 
1 1 1 -30 8  14 o 155.6727 20.87658 758.1259       185.7994 845.4161       230.9403 597.9417       312.8430 162.4220 25.04836 129.6750 38.41116 32.74707       45.85670 
1 1 1 -30 8  15 o 218.2208 15.23504 1444.067       193.7554 1487.444       241.9179 1366.458       323.5839 219.5290 18.97608 204.8214 27.64274 14.70758       33.52928 
1 1 1 -30 8  16 o 69.16766 27.87771 95.75175       173.9417 -90.82179      214.8371 450.7941       296.3632 60.14075 27.44449 112.7896 37.92070 -52.64884      46.81004 
1 1 1 -30 8  17 o 298.4447 12.95598 2681.636       226.2293 2717.614       266.7374 2589.427       427.0248 298.9448 15.26450 282.3887 26.07875 16.55603       30.21765 
1 1 1 -30 8  18 o 189.9442 15.37264 1104.306       169.7857 927.1871       208.4108 1453.832       292.7711 170.7097 21.27728 212.1538 23.94833 -41.44411      32.03506 
1 1 1 -30 8  19 o 215.1507 13.77666 1406.523       172.9215 1443.722       217.7303 1342.980       284.5714 215.8183 17.34807 202.9284 24.39992 12.88983       29.93847 
1 1 1 -30 8  20 o 88.34590 26.81530 264.8989       151.0817 479.5832       184.6679 -169.6588      262.7332 118.3061 27.18664 61.50606 28.84663 56.80008       39.63889 
1 1 1 -30 8  21 o 209.1663 13.83153 1335.107       168.7205 1420.930       221.9899 1217.724       259.6178 213.0399 17.93367 192.9213 23.42528 20.11855       29.50187 
1 1 1 -30 8  22 o 59.83909 25.02387 53.22000       146.9623 197.0459       184.0428 -199.8663      244.1376 79.35445 29.55455 57.18679 27.11823 22.16766       40.11072 
1 1 1 -30 8  23 o 168.0110 16.53933 882.6567       160.8587 1063.396       209.1134 620.6985       251.7514 182.1137 19.90256 128.9125 33.12289 53.20120       38.64243 
1 1 1 -30 8  24 o 239.0664 12.12017 1735.909       169.3785 1723.686       232.0432 1749.849       247.8081 234.3704 16.99718 235.1215 18.11048 -0.7510376     24.83734 
1 1 1 -30 8  25 f 192.7734 14.16773 1148.711       159.0573 1074.948       211.6463 1244.435       241.1033 181.7792 20.19286 194.4592 21.49955 -12.67996      29.49546 
1 1 1 -30 8  26 f 49.53997 22.44664 -39.47319      140.5633 -156.9786      190.3380 101.4863       208.4701 50.40520 23.91465 69.76556 29.52484 -19.36037      37.99509 
1 1 1 -30 8  27 o 138.4784 18.23420 620.5203       144.4929 640.1188       198.6523 598.5029       210.5544 134.4694 26.13122 127.4739 28.84024 6.995499       38.91786 
1 1 1 -30 8  28 o 142.0380 18.08620 654.2220       147.2491 506.4171       196.0660 845.4413       223.0097 116.3023 28.87795 155.0900 25.39647 -38.78767      38.45669 
1 1 1 -30 8  29 o 44.51216 20.75473 -81.70930      132.7556 -61.49949      169.6493 -113.6340      213.2232 51.97615 23.96479 54.99070 25.85268 -3.014553      35.25156 
1 1 1 -30 8  30 o 126.5500 19.74150 536.0687       141.7382 791.6595       186.8495 189.6644       217.5259 152.5344 21.48106 75.91395 30.96275 76.62049       37.68459 
1 1 1 -30 8  31 o 61.79770 25.12691 100.8112       142.7233 99.38740       188.8300 102.7085       217.9750 65.65044 27.95375 68.17269 29.54153 -2.522247      40.67080 
1 1 1 -30 8  32 o 104.4601 25.09390 401.8638       151.8050 531.3914       199.8689 225.2703       233.3734 116.2612 29.32195 78.48094 32.04768 37.78025       43.43766 
1 1 1 -30 8  33 o 41.33241 19.87471 -150.2343      141.1537 -144.6597      179.0380 -159.3906      229.4576 47.71625 22.79417 53.56105 25.64529 -5.844803      34.31115 
1 1 1 -30 8  34 o 52.11261 23.31557 3.432362       146.3022 154.6834       188.5844 -225.2033      231.8615 69.40400 28.62546 50.99711 24.75140 18.40689       37.84242 
1 1 1 -30 8  35 o 69.81322 26.57116 175.0250       150.5561 80.47788       197.4594 306.3186       232.6887 63.33675 27.76872 83.95524 32.74606 -20.61848      42.93491 
1 1 1 -30 9  1  o 164.4514 35.59227 902.0030       333.2983 460.5159       406.0529 1813.747       583.5258 120.8803 44.09260 227.6937 45.29208 -106.8133      63.21021 
1 1 1 -30 9  2  f 122.4390 41.84739 493.4489       361.0277 0.000000       0.000000 493.4489       361.0277 ?        ?        122.4390 41.84739 0.000000       41.84739 
1 1 1 -30 9  3  o 202.1727 24.12790 1271.630       280.4433 1367.994       346.9720 1090.061       476.2748 207.0489 29.39952 174.7987 45.88573 32.25014       54.49617 
1 1 1 -30 9  4  o 433.5854 26.44777 5856.167       669.3347 0.000000       0.000000 5856.167       669.3347 ?        ?        433.5854 26.44777 0.000000       26.44777 
1 1 1 -30 9  5  o 469.0374 13.73486 6561.011       377.4107 6439.046       563.8028 6660.037       508.0233 459.5677 20.97363 469.3936 18.49040 -9.825958      27.96048 
1 1 1 -30 9  6  o 238.6718 18.20941 1728.016       252.9626 1694.097       325.8665 1779.452       401.2781 233.4069 24.15403 235.9997 29.64480 -2.592804      38.23914 
1 1 1 -30 9  7  o 226.0198 19.11936 1557.011       251.0621 1371.800       317.0512 1868.412       411.1089 208.4516 26.53487 241.7123 29.61890 -33.26073      39.76655 
1 1 1 -30 9  8  o 196.6183 21.30384 1192.968       241.7386 848.7244       302.1376 1805.357       402.9821 159.7871 33.32184 237.3364 29.59261 -77.54932      44.56532 
1 1 1 -30 9  9  o 86.81042 32.56386 202.9194       224.2416 252.6905       281.6323 116.7160       370.6437 95.86963 36.37590 92.73965 39.31314 3.129974       53.56052 
1 1 1 -30 9  10 o 291.7849 14.97317 2558.294       255.3714 2797.405       350.0350 2286.204       373.3953 302.4411 19.84385 270.8883 23.74308 31.55280       30.94369 
1 1 1 -30 9  11 o 282.4908 14.80092 2399.095       244.3576 2560.904       320.8600 2175.654       377.0477 289.6176 18.99520 263.2734 24.70839 26.34418       31.16604 
1 1 1 -30 9  12 o 50.20029 24.05772 -254.0164      202.9260 -155.4274      258.5819 -412.0732      327.4091 63.69058 29.44440 62.38353 30.06606 1.307056       42.08254 
1 1 1 -30 9  13 o 53.70937 25.05912 -151.0791      194.0288 -174.2334      241.6302 -109.0454      325.5625 60.06173 28.00354 74.30129 33.85953 -14.23956      43.93935 
1 1 1 -30 9  14 o 333.9690 18.93604 3426.919       369.3711 0.000000       0.000000 3426.919       369.3711 ?        ?        333.9690 18.93604 0.000000       18.93604 
1 1 1 -30 9  15 o 51.56748 23.84934 -110.5655      169.8952 -80.61516      206.5273 -173.2594      298.8063 59.57210 27.07753 67.30148 31.29884 -7.729378      41.38611 
1 1 1 -30 9  16 o 228.8968 14.29717 1587.356       190.9704 1579.889       237.2465 1601.100       321.8515 226.2410 18.02948 222.7453 25.07247 3.495773       30.88189 
1 1 1 -30 9  17 o 161.7881 17.58874 812.5076       164.2077 995.5380       205.6415 490.4522       272.7813 177.8442 20.06602 116.0786 36.17802 61.76560       41.37021 
1 1 1 -30 9  18 o 176.2679 16.83610 961.3863       171.9343 970.4949       212.8540 944.2853       291.6534 174.5035 21.23492 164.8540 31.31057 9.649506       37.83218 
1 1 1 -30 9  19 o 49.35033 22.76082 -88.71318      153.1930 -149.4261      189.8551 24.57546       259.3433 52.06677 24.45189 72.00471 31.68795 -19.93794      40.02525 
1 1 1 -30 9  20 o 91.73803 27.18402 288.9503       156.6654 567.9271       197.7426 -181.3881      256.7564 128.9169 27.01975 60.04353 28.27203 68.87332       39.10722 
1 1 1 -30 9  21 o 50.87089 23.21326 -64.11701      153.6769 14.08902       195.2130 -191.5682      249.2071 63.06494 27.63101 58.34188 27.58660 4.723057       39.04475 
1 1 1 -30 9  22 o 81.85552 27.69545 225.5536       158.0824 332.8264       203.2807 61.42215       251.4474 96.16942 31.37279 72.57175 31.58571 23.59766       44.51863 
1 1 1 -30 9  23 o 43.35853 20.61023 -144.6098      142.6941 -188.5748      179.0748 -68.13721      236.1747 47.60775 22.75711 62.30902 28.56235 -14.70127      36.51977 
1 1 1 -30 9  24 o 199.2405 14.72250 1228.889       170.8169 1326.506       237.0889 1123.524       246.3185 202.4486 20.23955 183.3560 23.44155 19.09256       30.97007 
1 1 1 -30 9  25 o 64.25594 25.39002 108.0128       141.4545 137.6622       182.9790 63.97571       222.9990 71.17155 28.62522 68.40121 29.75823 2.770348       41.29110 
1 1 1 -30 9  26 o 57.25769 24.34401 44.57921       142.8421 142.8336       188.7892 -86.98923      218.4625 71.80017 29.00599 57.96045 26.88877 13.83972       39.55191 
1 1 1 -30 9  27 o 81.46465 25.77308 236.2585       137.9283 194.6701       184.2580 289.2630       208.0158 76.53320 29.32966 87.66319 31.61806 -11.12998      43.12691 
1 1 1 -30 9  28 o 167.9820 14.72839 885.6224       143.6337 753.3887       186.1330 1080.278       225.8321 149.1595 21.93186 178.8555 21.99190 -29.69606      31.05882 
1 1 1 -30 9  29 o 153.0128 16.55622 751.5209       146.2091 699.0726       193.9954 820.4872       222.4561 140.8944 24.35818 151.1061 26.04222 -10.21170      35.65836 
1 1 1 -30 9  30 o 77.58746 26.55995 220.2846       145.4440 322.0706       190.0116 76.26358       226.0212 90.01871 30.36406 67.17291 29.57114 22.84579       42.38429 
1 1 1 -30 9  31 o 160.1850 16.63901 829.8506       154.0399 948.4783       206.6876 681.6350       231.0301 166.1892 21.72582 131.2718 30.57934 34.91742       37.51143 
1 1 1 -30 9  32 o 176.1160 15.14163 989.4777       154.8781 1165.416       204.4760 752.6933       237.2133 187.1736 18.88517 138.0733 30.14164 49.10030       35.56920 
1 1 1 -30 9  33 o 73.62560 27.35004 200.3098       157.4168 337.3917       212.7022 34.30134       234.0708 88.81138 31.98001 63.75060 28.91751 25.06078       43.11547 
1 1 1 -30 9  34 o 51.44223 23.39059 -19.44050      154.2850 71.33555       205.6993 -136.1890      233.2775 63.62667 28.10186 54.72823 26.10933 8.898441       38.35898 
1 1 1 -30 9  35 o 78.12041 27.69635 240.8280       158.9069 262.6902       209.2634 211.0515       244.2216 79.73411 31.06707 75.46288 31.94711 4.271225       44.56210 
1 1 1 -30 10 1  o 361.1674 15.12902 3907.149       319.7474 4221.928       473.7468 3643.786       433.3331 371.2886 21.85289 345.0734 21.51924 26.21521       30.66963 
1 1 1 -30 10 2  o 219.2647 20.64656 1473.274       262.3764 1374.335       357.6750 1588.541       386.0612 206.6887 30.41534 222.4619 30.38352 -15.77315      42.99130 
1 1 1 -30 10 3  o 224.5942 19.34242 1537.654       252.2972 1200.633       340.0100 1950.580       376.3563 192.4841 31.18554 249.4620 26.11067 -56.97791      40.67315 
1 1 1 -30 10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 10 5  o 228.5847 20.89688 1603.931       277.0471 1802.987       326.1639 1088.245       524.9768 241.1530 23.35374 171.1876 49.49831 69.96538       54.73098 
1 1 1 -30 10 6  f 156.2024 25.63661 774.5449       226.7142 675.6382       284.2852 947.3513       375.7692 141.6864 34.53159 165.6033 39.28654 -23.91689      52.30548 
1 1 1 -30 10 7  o 136.3651 28.31209 604.1736       219.0093 563.6872       265.7324 689.9152       386.7103 129.2537 34.43699 139.6244 43.00237 -10.37074      55.09184 
1 1 1 -30 10 8  o 80.73590 31.52959 151.3658       215.9391 185.3568       263.9263 82.53516       375.5708 88.35229 34.75214 90.99280 39.09867 -2.640503      52.31078 
1 1 1 -30 10 9  f 158.2325 24.15225 791.3405       217.0411 837.4586       275.6484 716.1036       352.0747 159.6407 30.55419 142.4602 40.32767 17.18056       50.59525 
1 1 1 -30 10 10 o 67.76787 29.00638 25.04316       205.2236 126.7445       252.6854 -172.0437      351.7594 81.88518 33.38149 74.90530 34.52647 6.979874       48.02500 
1 1 1 -30 10 11 o 372.6539 13.13000 4153.921       286.5113 4417.339       409.0814 3900.297       401.4039 380.7549 18.37374 357.0823 19.23841 23.67264       26.60283 
1 1 1 -30 10 12 o 56.47345 25.48734 -66.20271      179.1203 -197.2555      216.0100 222.2612       320.4767 54.93168 25.88564 94.59303 37.93919 -39.66135      45.92873 
1 1 1 -30 10 13 o 45.14100 21.91401 -280.6788      182.0159 -221.7910      226.6569 -387.6172      305.4384 55.28309 26.19020 59.92377 28.92019 -4.640675      39.01671 
1 1 1 -30 10 14 o 172.4273 19.37052 925.0762       192.4998 999.1349       246.3681 808.9929       308.4473 176.3990 24.47261 151.5304 35.35727 24.86859       43.00053 
1 1 1 -30 10 15 o 351.3306 12.62414 3706.051       259.6940 4032.453       374.2658 3402.985       360.6386 362.4993 17.65757 332.1452 18.58788 30.35416       25.63784 
1 1 1 -30 10 16 o 98.96019 37.53922 318.2368       299.8888 337.0373       523.1529 309.0356       365.9894 108.7496 46.42367 100.8524 40.51131 7.897224       61.61432 
1 1 1 -30 10 17 o 158.7407 17.62958 784.3016       161.3625 687.3426       194.0396 1001.687       290.5438 145.2848 23.58073 171.1301 30.04459 -25.84531      38.19329 
1 1 1 -30 10 18 o 135.5884 20.42355 587.6616       157.3706 536.4059       192.8017 689.9724       272.3962 125.7610 26.95099 137.9924 33.90569 -12.23140      43.31226 
1 1 1 -30 10 19 o 146.9013 19.63827 686.4240       164.9574 933.0091       205.1835 235.7775       277.3812 170.7216 20.93026 89.01548 35.43190 81.70609       41.15210 
1 1 1 -30 10 20 o 64.55925 26.39767 82.25127       158.5978 96.92193       197.4031 55.53957       266.3668 70.35838 29.17807 74.12984 32.38223 -3.771454      43.58863 
1 1 1 -30 10 21 o 81.53038 27.43444 222.6364       155.1169 339.5796       193.5196 12.47191       259.4282 97.47873 30.48577 70.34595 31.28797 27.13277       43.68431 
1 1 1 -30 10 22 o 44.59444 21.13866 -142.3650      148.0643 -212.0869      185.8664 -21.27813      244.9429 47.71811 22.90919 66.29483 29.87263 -18.57672      37.64579 
1 1 1 -30 10 23 o 77.34357 26.43643 200.2789       144.0824 127.9035       179.7069 330.5357       241.0849 70.64030 28.38321 94.58598 34.04849 -23.94567      44.32727 
1 1 1 -30 10 24 o 87.99557 25.73552 272.4368       141.1893 130.3329       178.6187 509.0876       230.5037 70.29758 28.27917 115.1297 32.64402 -44.83212      43.18962 
1 1 1 -30 10 25 o 73.37564 25.88031 179.2994       138.6057 259.2796       179.7664 62.04559       217.6610 84.89870 29.50763 67.57514 29.39937 17.32356       41.65361 
1 1 1 -30 10 26 o 56.94990 24.31329 41.53087       143.5182 48.78524       188.3900 31.49806       221.5487 63.16179 27.41638 65.44550 29.02186 -2.283707      39.92400 
1 1 1 -30 10 27 o 54.21046 23.66614 17.23158       142.0817 16.09482       187.1861 18.77676       218.2365 60.14582 26.67381 63.83150 28.52336 -3.685677      39.05220 
1 1 1 -30 10 28 o 43.15102 20.39789 -113.0156      136.0682 -20.54358      175.2983 -253.1783      215.8186 55.60855 25.14439 49.20936 23.88280 6.399189       34.67893 
1 1 1 -30 10 29 o 48.66002 22.28947 -47.76100      143.4784 82.62693       191.1933 -215.8494      217.0815 65.00611 27.91401 50.62110 24.41824 14.38501       37.08696 
1 1 1 -30 10 30 o 175.0944 16.25426 984.7618       165.0073 560.8099       232.4962 1415.040       234.2244 116.1464 32.73432 206.1831 19.60562 -90.03673      38.15646 
1 1 1 -30 10 31 o 185.8443 14.81714 1095.073       160.1605 1049.624       214.6974 1152.100       240.4937 175.1898 21.33570 181.4471 23.12444 -6.257217      31.46350 
1 1 1 -30 10 32 o 151.2368 17.54164 752.3040       152.7062 842.5649       194.5686 607.5216       246.4228 155.6843 21.91543 118.1422 33.83626 37.54211       40.31350 
1 1 1 -30 10 33 o 45.76340 21.96123 -156.3906      170.3856 -4.510005      192.7805 -698.5320      364.2238 57.32617 26.09728 52.35764 26.33619 4.968529       37.07644 
1 1 1 -30 10 34 o 96.37456 26.55026 360.1043       154.8443 484.7538       205.0418 194.6669       236.2185 107.3893 30.89883 74.55499 31.48400 32.83434       44.11326 
1 1 1 -30 11 1  o 288.3918 16.81001 2509.370       283.0835 2433.758       384.4723 2598.894       418.3509 280.2213 23.61401 288.7393 24.94950 -8.517944      34.35257 
1 1 1 -30 11 2  o 204.2713 22.70069 1294.435       267.3675 951.9291       357.9889 1726.477       402.0674 167.1588 37.44772 231.6472 30.32248 -64.48843      48.18489 
1 1 1 -30 11 3  o 261.9909 16.98097 2074.160       259.5095 1748.725       349.9636 2471.707       386.7985 235.9899 25.70067 282.3537 23.57318 -46.36375      34.87434 
1 1 1 -30 11 4  o 433.9308 18.77959 5712.823       476.7906 0.000000       0.000000 5712.823       476.7906 ?        ?        433.9308 18.77959 0.000000       18.77959 
1 1 1 -30 11 5  o 323.1960 32.62477 3395.313       609.9360 0.000000       0.000000 3395.313       609.9360 ?        ?        323.1960 32.62477 0.000000       32.62477 
1 1 1 -30 11 6  o 183.9423 21.44982 1048.278       227.0585 853.7703       283.6183 1395.462       378.9177 161.1195 31.14169 206.1727 32.40532 -45.05319      44.94341 
1 1 1 -30 11 7  o 230.5038 17.91416 1616.347       240.2727 1784.603       306.6151 1348.621       386.7706 240.1207 22.01760 201.3758 33.95528 38.74486       40.46895 
1 1 1 -30 11 8  o 36.35082 18.33750 -572.5864      183.6699 -379.8140      213.5122 -1121.242      360.2052 47.07111 23.04339 50.00690 25.28050 -2.935791      34.20675 
1 1 1 -30 11 9  o 84.83216 29.97439 213.9579       185.9917 242.1718       220.1037 143.5025       347.8192 90.27316 32.52841 91.75647 38.44289 -1.483315      50.35824 
1 1 1 -30 11 10 o 308.9481 21.34460 2953.000       384.3672 0.000000       0.000000 2953.000       384.3672 ?        ?        308.9481 21.34460 0.000000       21.34460 
1 1 1 -30 11 11 o 113.6391 30.13592 434.0522       204.0971 496.5882       255.5863 323.9924       339.0681 119.9216 34.49548 103.6737 39.77248 16.24790       52.64778 
1 1 1 -30 11 12 o 94.75580 30.46331 295.2205       192.0827 535.1074       244.1242 -94.66857      311.2276 124.5729 32.92312 72.98300 33.19928 51.58992       46.75601 
1 1 1 -30 11 13 o 99.23309 29.59780 330.8691       185.2425 237.4769       231.9421 495.3629       307.8217 89.17893 33.18518 117.6277 38.61998 -28.44877      50.91914 
1 1 1 -30 11 14 o 237.9275 14.75654 1717.119       204.8976 1847.443       266.6047 1529.066       320.2545 244.3795 18.74479 217.3996 25.60880 26.97989       31.73606 
1 1 1 -30 11 15 o 174.9588 17.76586 948.7497       179.7691 926.3921       224.0261 989.1805       301.2604 169.8318 23.08948 169.6979 31.42729 0.1338501      38.99742 
1 1 1 -30 11 16 o 123.1980 23.40212 496.4510       162.9059 450.2393       199.1924 589.7878       283.0895 114.0373 29.54671 126.4739 36.28026 -12.43658      46.78959 
1 1 1 -30 11 17 o 194.8173 16.26157 1169.949       184.1046 1415.000       212.2375 425.0424       370.0367 213.8488 17.06395 108.2194 41.54077 105.6294       44.90895 
1 1 1 -30 11 18 o 102.0024 25.16908 351.5073       149.6294 314.9254       177.4213 441.6160       278.4557 95.32290 29.08439 108.9428 36.75766 -13.61994      46.87246 
1 1 1 -30 11 19 o 107.3933 24.58272 388.8203       151.4794 300.5820       183.3678 578.4404       268.8047 92.88068 29.75478 124.0139 35.28173 -31.13318      46.15352 
1 1 1 -30 11 20 o 70.04586 26.91446 134.8909       155.4409 193.3736       190.0221 16.60976       270.2393 79.37946 29.93345 71.83015 31.94155 7.549309       43.77527 
1 1 1 -30 11 21 o 149.3745 19.19876 712.7407       164.3055 804.6214       206.0763 552.4139       272.2193 156.0403 23.22540 119.4754 35.93671 36.56487       42.78862 
1 1 1 -30 11 22 o 55.84862 24.43223 6.829525       152.1194 64.07461       188.9215 -98.71313      256.5231 65.73032 27.97321 63.09124 29.22320 2.639084       40.45363 
1 1 1 -30 11 23 o 139.2202 19.50792 627.7594       154.9157 637.3972       201.9706 613.9862       241.4439 135.2883 26.40336 127.6793 32.24198 7.608932       41.67353 
1 1 1 -30 11 24 o 168.5235 15.29303 887.7147       149.5046 942.9788       190.6314 799.4118       240.9685 170.6371 19.39251 149.1727 28.58374 21.46440       34.54128 
1 1 1 -30 11 25 o 66.74834 25.22851 133.6966       135.1591 174.9219       169.9599 62.77233       222.9268 74.08986 28.22373 67.99140 29.66397 6.098457       40.94545 
1 1 1 -30 11 26 o 74.96854 26.04792 193.2149       140.0776 103.5682       183.5534 318.2335       216.7617 67.22035 28.02754 90.94716 32.33721 -23.72681      42.79296 
1 1 1 -30 11 27 o 59.12200 24.60036 69.93213       140.9880 142.5644       193.5988 -12.08599      205.7277 71.24796 29.15286 60.20792 27.23028 11.04005       39.89207 
1 1 1 -30 11 28 o 77.22089 26.22511 214.0334       141.7527 278.6169       183.9058 119.4986       222.5004 85.45682 29.83639 70.73580 30.23789 14.72102       42.47988 
1 1 1 -30 11 29 o 165.8211 16.15551 880.8215       155.1228 824.6467       209.6142 948.8333       230.6440 152.9203 24.17515 163.4215 24.84629 -10.50124      34.66664 
1 1 1 -30 11 30 o 120.7213 21.31781 501.3102       145.4134 510.8727       194.5880 489.2165       218.8314 114.7537 28.92657 108.6107 32.11362 6.143028       43.22073 
1 1 1 -30 11 31 o 142.8173 18.02773 673.1903       147.6405 665.1895       192.5361 684.6097       230.0190 135.2364 25.20250 131.2408 30.47106 3.995636       39.54303 
1 1 1 -30 11 32 o 164.2336 16.83021 880.3126       159.8166 870.2141       206.1158 895.5364       253.0731 156.6774 23.12558 151.0350 29.62940 5.642456       37.58582 
1 1 1 -30 11 33 o 55.62308 24.52473 30.70366       156.0272 177.8990       202.7556 -183.0347      244.3246 72.20186 29.72046 54.04577 26.02868 18.15609       39.50693 
1 1 1 -30 11 34 o 43.41423 20.68427 -120.9687      145.4052 -174.0988      184.5084 -33.89480      236.2054 46.78748 22.55471 59.61169 27.75810 -12.82421      35.76629 
1 1 1 -30 12 1  o 61.99461 28.61084 -149.9145      242.6192 -147.4003      305.4838 -154.2095      399.2815 70.80802 32.46790 81.28344 37.21438 -10.47542      49.38699 
1 1 1 -30 12 2  o 105.3368 33.92348 362.5160       238.1263 617.9402       309.0787 -10.52810      373.5237 133.8377 37.75011 85.56272 37.82582 48.27500       53.44028 
1 1 1 -30 12 3  f 156.5025 27.51793 788.8473       243.3577 669.4806       304.1677 1001.169       405.6660 139.6159 36.67892 168.3186 41.38855 -28.70271      55.30240 
1 1 1 -30 12 4  o 108.1608 32.31554 387.5222       220.6784 265.1909       273.3199 616.6102       374.0278 96.28416 35.98532 132.2750 42.50786 -35.99080      55.69436 
1 1 1 -30 12 5  o 57.17641 26.50981 -148.1008      211.8868 -140.7882      267.9992 -160.2930      346.0501 66.01891 30.32320 74.94051 34.43423 -8.921608      45.88260 
1 1 1 -30 12 6  o 138.5267 27.71240 624.2609       217.2745 1052.175       273.3990 -109.2886      357.9591 181.5236 26.45896 78.57948 35.68997 102.9441       44.42803 
1 1 1 -30 12 7  o 210.5707 18.17960 1354.632       222.3120 1441.765       276.7701 1196.190       373.2198 215.1932 22.25065 187.9959 35.14229 27.19728       41.59414 
1 1 1 -30 12 8  o 68.12655 28.38369 58.87212       188.0385 201.1456       226.7332 -254.5702      336.5363 86.15242 32.65011 69.30768 32.55065 16.84474       46.10395 
1 1 1 -30 12 9  o 186.1637 18.10673 1063.381       195.1958 915.8314       235.7161 1385.353       348.2003 169.6352 24.39372 205.6626 29.73014 -36.02733      38.45692 
1 1 1 -30 12 10 o 84.86970 29.34518 222.3207       177.6892 178.9624       207.0900 343.3315       345.9671 81.81368 31.15725 105.3108 40.23122 -23.49707      50.88541 
1 1 1 -30 12 11 o 210.7998 16.15076 1353.552       198.1497 1402.734       246.0491 1262.793       334.2423 212.5649 19.97087 194.9520 30.21037 17.61288       36.21467 
1 1 1 -30 12 12 o 50.94189 23.53072 -105.3718      164.6349 -119.9959      196.2023 -70.57319      302.6570 55.51994 25.66038 72.85861 32.98240 -17.33868      41.78868 
1 1 1 -30 12 13 o 124.6665 23.73414 505.0302       167.1932 531.8983       203.0405 448.4400       294.6692 125.6859 28.23617 112.1626 37.81262 13.52332       47.19190 
1 1 1 -30 12 14 o 117.2574 24.49965 452.8102       163.0422 575.6116       197.3194 188.5331       289.4661 131.4678 26.50792 87.61452 35.72421 43.85325       44.48470 
1 1 1 -30 12 15 o 259.3809 14.79655 2048.180       224.1525 1907.911       255.9769 2509.426       464.1790 248.3677 17.68916 273.1928 29.43514 -24.82513      34.34143 
1 1 1 -30 12 16 o 179.3371 38.90274 1207.641       397.3738 0.000000       0.000000 1207.641       397.3738 ?        ?        179.3371 38.90274 0.000000       38.90274 
1 1 1 -30 12 17 o 175.6176 17.09029 958.6952       173.7985 721.9940       214.1842 1414.997       297.3813 147.0241 25.77923 207.5241 24.93273 -60.49998      35.86377 
1 1 1 -30 12 18 o 140.9236 19.89503 634.5988       159.8603 633.2919       190.2575 637.7369       294.8210 138.0665 24.38807 129.0642 37.02471 9.002350       44.33517 
1 1 1 -30 12 19 o 232.3594 13.34288 1643.014       181.0633 1470.642       223.9324 1968.498       307.7159 216.7703 17.77020 247.5809 21.40247 -30.81058      27.81808 
1 1 1 -30 12 20 o 114.6645 23.36924 439.6698       151.8151 565.6381       185.7088 185.8839       263.5939 129.0849 25.43550 82.99440 33.99482 46.09050       42.45718 
1 1 1 -30 12 21 o 54.17361 23.89737 -6.445414      148.3184 -79.31097      180.5239 144.9085       260.1779 53.99577 24.83246 78.96239 33.17626 -24.96663      41.44050 
1 1 1 -30 12 22 o 74.55865 26.91482 179.2464       150.7728 212.2639       190.1721 123.3713       247.3910 80.39712 30.02293 75.77406 32.11961 4.623062       43.96642 
1 1 1 -30 12 23 f 75.84196 26.78214 192.4807       148.4681 319.5737       186.4115 -27.99638      245.5238 93.12302 30.01686 64.92274 29.51502 28.20027       42.09689 
1 1 1 -30 12 24 o 74.13853 25.80385 184.8432       137.4947 185.4496       173.2656 183.8119       225.9541 75.62646 28.56881 78.22412 31.68533 -2.597664      42.66306 
1 1 1 -30 12 25 o 50.02168 22.23901 -11.80261      130.9283 -7.189952      168.2648 -18.88097      208.4415 56.20801 25.08611 60.61345 27.41191 -4.405434      37.15812 
1 1 1 -30 12 26 o 119.4471 21.29032 480.9501       143.6749 356.5092       187.4258 658.2784       223.7365 96.57253 29.97078 132.7482 29.50323 -36.17569      42.05577 
1 1 1 -30 12 27 o 49.53911 22.58057 -41.87683      144.8995 -74.36658      194.0665 -0.9460084     217.8225 54.71069 25.36796 62.05229 28.04619 -7.341602      37.81696 
1 1 1 -30 12 28 o 51.74098 22.95033 0.6477389      138.6329 146.0589       183.6879 -191.7943      211.3155 70.22853 28.52388 50.88408 24.42867 19.34446       37.55491 
1 1 1 -30 12 29 o 160.9108 16.42291 833.6771       152.8130 821.8513       204.0965 848.7646       230.5303 153.0914 23.47988 151.9686 26.84720 1.122864       35.66619 
1 1 1 -30 12 30 o 149.0269 17.89417 729.6501       153.2719 765.8660       206.0900 684.8263       229.2778 145.8072 24.99996 131.8608 30.28678 13.94637       39.27196 
1 1 1 -30 12 31 o 159.6439 16.80336 829.7039       154.9690 797.4125       197.9219 880.8656       249.1281 150.1376 23.22699 150.7663 29.23058 -0.6287079     37.33524 
1 1 1 -30 12 32 o 231.9979 18.23326 1782.397       246.0918 1123.974       479.6649 2017.623       286.7003 129.7980 47.82795 243.7205 20.24039 -113.9225      51.93444 
1 1 1 -30 12 33 o 41.33577 19.87516 -147.7117      141.1120 -171.2849      173.0957 -101.0026      243.6563 45.39385 21.87362 57.36912 27.17141 -11.97527      34.88181 
1 1 1 -30 13 1  o 114.2529 33.24544 439.4428       236.1427 570.1148       297.2569 215.9120       388.7848 128.2737 37.29292 99.80888 41.12698 28.46485       55.51748 
1 1 1 -30 13 2  o 117.4921 34.04269 467.6555       248.0817 548.1931       281.0396 183.4229       527.9650 126.2096 36.13098 107.0187 46.17453 19.19091       58.63050 
1 1 1 -30 13 3  o 291.0187 16.89844 2566.140       287.1746 2659.624       336.7184 2316.721       550.0006 294.6729 19.59524 261.4579 36.89246 33.21506       41.77352 
1 1 1 -30 13 4  o 240.6120 16.85398 1757.075       236.3279 1565.740       296.9671 2087.524       390.2679 223.8718 22.94240 256.4106 26.32583 -32.53882      34.91995 
1 1 1 -30 13 5  o 124.8472 48.69886 519.6014       514.6569 0.000000       0.000000 519.6014       514.6569 ?        ?        124.8472 48.69886 0.000000       48.69886 
1 1 1 -30 13 6  o 81.15259 30.74648 174.4856       201.0308 16.45289       245.0317 499.8841       351.6062 72.13409 31.28946 119.9363 41.28783 -47.80225      51.80459 
1 1 1 -30 13 7  o 166.2580 21.96675 867.9286       208.9542 895.3273       260.6203 818.6201       349.6263 165.7970 27.78503 151.4051 39.10238 14.39191       47.96878 
1 1 1 -30 13 8  o 117.8518 28.67714 463.2769       196.2986 539.8314       240.3456 309.8992       340.1980 125.6466 32.40537 102.3851 39.68982 23.26157       51.23855 
1 1 1 -30 13 9  o 91.74781 29.09458 275.1798       175.6792 366.7622       205.4765 26.31001       338.7212 104.2211 31.19304 82.45746 36.25367 21.76366       47.82608 
1 1 1 -30 13 10 o 111.5529 26.67471 412.9458       172.1522 473.5875       203.4284 259.9502       323.1210 118.3629 29.42999 96.66181 38.31726 21.70107       48.31498 
1 1 1 -30 13 11 o 130.3936 23.27795 548.2242       171.4812 632.9573       204.3154 346.2921       315.4115 138.8601 26.04492 103.0992 38.63153 35.76083       46.59113 
1 1 1 -30 13 12 o 44.81214 21.24194 -156.1422      149.5172 -62.67227      173.8868 -421.2736      292.8607 55.29310 25.01834 56.62589 27.55956 -1.332787      37.22159 
1 1 1 -30 13 13 o 163.2413 19.16707 834.5937       180.0084 1029.077       227.3874 508.1072       294.6172 179.7236 22.03340 117.5921 37.72037 62.13147       43.68406 
1 1 1 -30 13 14 o 184.5273 17.19034 1053.709       183.8954 1203.727       236.1216 822.4339       293.1763 194.9140 20.98610 151.9724 33.77031 42.94159       39.75991 
1 1 1 -30 13 15 o 199.3577 14.79707 1214.399       171.7717 1291.379       217.1002 1085.543       280.8811 203.4266 18.39570 179.9833 27.47939 23.44328       33.06840 
1 1 1 -30 13 16 o 124.8313 43.22638 633.8434       385.6132 0.000000       0.000000 633.8434       385.6132 ?        ?        124.8313 43.22638 0.000000       43.22638 
1 1 1 -30 13 17 o 265.3755 14.54963 2151.843       225.5789 2269.507       265.2942 1844.719       428.6107 270.7663 16.78898 227.8390 33.03910 42.92731       37.06011 
1 1 1 -30 13 18 o 214.4482 14.72735 1410.870       184.0995 1146.712       226.6713 1922.843       315.5644 189.1570 20.77408 243.8594 22.31167 -54.70242      30.48562 
1 1 1 -30 13 19 o 194.0205 15.09235 1160.373       170.3837 1059.765       204.2376 1390.671       309.0030 182.5463 19.37251 202.8015 26.62238 -20.25516      32.92484 
1 1 1 -30 13 20 o 121.1892 23.61283 493.0315       161.7923 470.7531       196.6160 539.7562       284.7412 114.6947 29.16769 116.8529 37.03867 -2.158180      47.14464 
1 1 1 -30 13 21 o 50.94080 22.90722 -33.34704      143.2020 47.45456       171.6998 -217.9901      259.5531 62.07981 26.55076 57.83565 27.57755 4.244164       38.28138 
1 1 1 -30 13 22 o 58.32434 24.72902 46.10026       146.7027 72.22891       182.8874 -1.051051      245.6813 65.22014 27.62998 66.68796 29.99506 -1.467819      40.78136 
1 1 1 -30 13 23 o 77.91457 30.96001 187.4528       211.4308 -440.1041      468.9308 347.5826       236.8745 69.86818 34.19226 95.00301 33.80160 -25.13483      48.07972 
1 1 1 -30 13 24 f 131.5988 20.60158 573.3837       153.7899 838.7450       203.7543 222.0640       234.4441 157.8034 22.66569 81.84538 32.57550 75.95798       39.68497 
1 1 1 -30 13 25 o 150.3421 17.36824 725.3477       150.3270 764.4710       193.4429 665.6985       238.8568 150.0956 22.68217 131.8149 31.35597 18.28067       38.69984 
1 1 1 -30 13 26 o 88.41261 26.37617 285.9132       147.0985 243.5839       187.6053 353.4701       237.0060 81.69242 29.94334 93.55756 33.74874 -11.86514      45.11742 
1 1 1 -30 13 27 o 58.13774 24.89540 50.93466       151.2962 -4.055116      194.6488 134.8645       240.4744 59.02790 26.61111 73.08535 31.34301 -14.05745      41.11613 
1 1 1 -30 13 28 o 60.02079 24.87365 81.76839       143.3172 78.66631       183.1619 86.66644       230.1547 63.71192 27.33924 68.33231 29.96870 -4.620392      40.56546 
1 1 1 -30 13 29 f 158.7788 17.21563 819.8152       157.7498 873.9600       203.7725 738.8334       249.2073 158.7808 22.51300 135.4207 31.90574 23.36006       39.04883 
1 1 1 -30 13 30 o 173.0970 17.38250 978.3141       174.0764 797.4565       194.2990 1713.998       391.8749 151.0933 22.62169 204.0399 33.93954 -52.94656      40.78766 
1 1 1 -30 13 31 o 174.9993 15.53915 983.7801       157.8265 1085.164       201.6133 823.3221       253.6380 179.5836 19.45289 142.6565 31.18785 36.92711       36.75727 
1 1 1 -30 13 32 o 88.66873 25.68687 299.8529       141.2549 418.5551       172.5034 58.28395       246.0872 103.0856 27.87089 65.98168 29.81739 37.10391       40.81499 
1 1 1 -30 13 33 o 35.95490 17.75547 -243.7664      136.0426 -313.6788      162.5780 -80.47720      248.4640 38.01780 18.88551 58.58130 27.65322 -20.56351      33.48676 
1 1 1 -30 14 1  o 140.0210 28.14515 644.3904       223.1007 667.8242       277.5515 601.6044       375.0372 139.3664 34.21407 129.0761 42.64038 10.29031       54.66996 
1 1 1 -30 14 2  o 235.8150 29.84841 1816.852       403.5704 0.000000       0.000000 1816.852       403.5704 ?        ?        235.8150 29.84841 0.000000       29.84841 
1 1 1 -30 14 3  o 256.8056 26.65727 2109.987       395.6525 0.000000       0.000000 2109.987       395.6525 ?        ?        256.8056 26.65727 0.000000       26.65727 
1 1 1 -30 14 4  o 232.1554 19.13511 1658.286       258.2203 1434.792       293.0300 2434.890       546.2331 213.1034 23.85500 267.4348 35.71879 -54.33138      42.95222 
1 1 1 -30 14 5  o 274.3146 15.00291 2272.565       240.4465 2155.543       306.6407 2459.387       387.4449 264.2288 19.93491 279.3583 23.87687 -15.12955      31.10476 
1 1 1 -30 14 6  o 186.0669 19.57706 1073.146       210.4354 924.5570       256.8189 1376.749       367.1025 168.6708 26.86200 202.7369 31.92980 -34.06606      41.72623 
1 1 1 -30 14 7  o 82.64095 39.08051 -321.9765      500.3869 0.000000       0.000000 -321.9765      500.3869 ?        ?        82.64095 39.08051 0.000000       39.08051 
1 1 1 -30 14 8  o 86.35571 30.04092 233.4944       186.3439 494.2505       223.0711 -368.6672      338.9866 120.0792 31.34540 64.55478 30.97830 55.52443       44.07027 
1 1 1 -30 14 9  o 106.5032 28.42536 382.1970       180.8555 513.6006       220.1160 109.1722       317.2845 122.4897 30.70356 84.99827 36.21495 37.49148       47.47874 
1 1 1 -30 14 10 o 68.25150 27.58695 91.75418       170.8697 251.5517       207.2621 -247.2823      301.8965 89.06155 31.62536 64.21164 30.36240 24.84991       43.84106 
1 1 1 -30 14 11 o 159.2927 19.67036 796.6390       179.8635 830.2562       218.4420 725.8633       316.9554 160.2186 23.98389 140.4124 37.69963 19.80617       44.68209 
1 1 1 -30 14 12 o 235.7870 13.58780 1682.379       187.1012 1739.811       234.1366 1580.905       311.2215 237.8066 16.89792 221.1586 24.39980 16.64806       29.67979 
1 1 1 -30 14 13 o 162.6820 17.63584 823.3549       165.5739 973.4548       198.0672 475.0996       301.6971 175.9346 19.52435 113.2355 38.26084 62.69915       42.95454 
1 1 1 -30 14 14 o 253.2305 13.13279 1940.261       194.3736 2108.692       252.0137 1692.941       305.3817 261.7195 16.50267 229.3263 23.01675 32.39322       28.32153 
1 1 1 -30 14 15 o 168.9374 16.55323 884.6302       161.9029 829.4987       192.8432 1016.294       298.0147 161.0291 20.91324 170.7852 30.89021 -9.756073      37.30374 
1 1 1 -30 14 16 o 219.9082 13.69254 1472.447       175.7179 1516.733       217.8660 1390.018       297.2333 221.0779 16.93212 204.9316 25.26511 16.14627       30.41418 
1 1 1 -30 14 17 o 258.0999 15.19394 2046.472       228.9725 2122.909       268.0175 1839.954       440.5447 260.8708 17.62151 225.1271 34.46143 35.74365       38.70539 
1 1 1 -30 14 18 o 211.7120 15.93204 1387.610       196.3673 1431.551       226.8394 1256.225       392.2476 213.2798 18.31211 180.6675 38.21463 32.61229       42.37560 
1 1 1 -30 14 19 o 159.2944 18.32279 804.6974       168.0619 921.7957       213.2928 612.9520       272.9377 167.7907 22.22065 126.1310 35.43870 41.65966       41.82892 
1 1 1 -30 14 20 o 102.9568 25.25050 366.7879       151.2860 268.1482       186.5064 556.5476       258.6842 87.32019 30.07008 119.8534 34.77306 -32.53326      45.97146 
1 1 1 -30 14 21 o 143.2026 19.11730 661.7599       156.5493 731.8380       201.9285 556.1841       247.8501 146.8362 24.29747 119.7707 33.81256 27.06546       41.63720 
1 1 1 -30 14 22 o 171.7815 15.60975 924.2947       155.5462 1026.461       195.3288 747.2101       257.1595 178.4874 18.94906 140.9074 31.86759 37.57993       37.07573 
1 1 1 -30 14 23 o 86.29459 26.62985 266.2694       148.2115 346.2248       185.1727 123.7343       247.2372 96.22967 29.77775 74.58916 31.87952 21.64050       43.62360 
1 1 1 -30 14 24 o 188.1482 14.90158 1106.684       163.0888 953.0290       213.6335 1321.318       252.4906 168.4499 22.16164 198.7383 22.03242 -30.28838      31.25005 
1 1 1 -30 14 25 o 126.4553 21.04846 537.1087       150.6171 417.3454       189.2123 744.2553       248.8435 104.6783 29.54028 139.4074 31.21456 -34.72906      42.97647 
1 1 1 -30 14 26 o 128.7928 21.34990 562.1739       155.6195 704.7085       199.6711 341.6258       248.3743 141.1048 25.04535 91.59453 34.28936 49.51031       42.46210 
1 1 1 -30 14 27 o 85.54502 27.14259 273.7434       152.8786 363.2968       194.2453 127.9829       247.8161 95.59371 30.62468 72.75383 31.51283 22.83988       43.94234 
1 1 1 -30 14 28 o 117.3972 22.88345 483.8608       151.8905 534.1915       194.3957 404.9716       243.3767 118.2396 28.39205 96.73962 34.27811 21.49998       44.50952 
1 1 1 -30 14 29 o 176.5375 15.22511 992.2580       156.0945 1016.443       201.1463 955.6432       247.4931 173.7983 20.10432 160.4187 27.28200 13.37956       33.88940 
1 1 1 -30 14 30 o 154.9592 17.17558 785.4641       153.4736 710.4650       193.7087 911.9264       251.5368 140.3833 24.41386 153.8250 28.94396 -13.44170      37.86541 
1 1 1 -30 14 31 o 108.0689 23.86451 425.3162       147.2065 463.0293       182.9260 356.0132       247.9735 108.2350 28.44913 89.33945 34.07722 18.89555       44.39156 
1 1 1 -30 14 32 o 81.36734 31.20515 271.0139       208.6797 -242.4719      394.8168 470.0725       245.8227 64.61831 31.56984 100.9130 34.52992 -36.29465      46.78643 
1 1 1 -30 15 1  o 237.9220 16.81439 1726.716       233.1094 1935.342       292.5996 1364.223       385.6899 249.9014 20.13462 199.8426 34.13252 50.05879       39.62867 
1 1 1 -30 15 2  o 224.8278 19.12300 1560.383       249.7580 1566.108       279.6727 1537.833       555.0377 223.7388 21.58117 198.7441 48.13482 24.99464       52.75138 
1 1 1 -30 15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 15 4  o 403.0428 27.35479 5241.608       642.7675 0.000000       0.000000 5241.608       642.7675 ?        ?        403.0428 27.35479 0.000000       27.35479 
1 1 1 -30 15 5  o 175.3961 22.68798 975.5306       227.9191 887.9847       251.7708 1373.013       536.4715 164.7515 26.99085 185.8327 48.65913 -21.08119      55.64366 
1 1 1 -30 15 6  o 202.8813 17.79626 1266.719       209.6066 1259.264       257.7256 1281.283       360.2395 199.6024 22.40233 193.8265 32.86316 5.775925       39.77250 
1 1 1 -30 15 7  o 60.37658 26.58081 -15.01761      182.6458 26.36235       215.4390 -120.7600      344.3927 68.21925 29.46526 74.79959 34.36294 -6.580338      45.26603 
1 1 1 -30 15 8  o 100.9712 28.79141 345.1505       178.8031 396.2503       212.8627 222.6850       329.5313 107.0948 31.67450 93.39606 38.10327 13.69873       49.54930 
1 1 1 -30 15 9  o 78.68559 37.32163 -302.5655      462.9329 0.000000       0.000000 -302.5655      462.9329 ?        ?        78.68559 37.32163 0.000000       37.32163 
1 1 1 -30 15 10 o 141.1606 20.38583 631.7663       163.8857 762.3845       193.4225 299.3520       308.5638 154.4001 21.98046 97.58582 37.80766 56.81424       43.73282 
1 1 1 -30 15 11 o 193.9996 15.32638 1151.353       172.9620 1125.695       208.1345 1208.616       310.9396 189.7697 18.95439 189.4486 28.89902 0.3211060      34.56041 
1 1 1 -30 15 12 o 247.2371 13.47548 1851.423       194.6541 1999.367       246.6617 1607.188       316.9255 254.8913 16.59062 222.1408 24.74608 32.75052       29.79291 
1 1 1 -30 15 13 o 45.41968 21.24042 -112.5193      140.7218 -71.15984      161.0377 -246.1174      289.4277 52.03079 23.75025 61.80869 29.37251 -9.777905      37.77325 
1 1 1 -30 15 14 f 74.98077 26.25084 176.0997       142.4192 232.2309       164.3968 7.256742       285.1232 83.73698 28.24336 73.49727 32.73835 10.23971       43.23756 
1 1 1 -30 15 15 o 148.4049 19.09160 698.4084       162.3206 831.0989       197.6276 423.3112       284.5580 160.5024 21.53812 106.4550 37.11722 54.04742       42.91362 
1 1 1 -30 15 16 o 285.0531 14.10760 2479.553       235.1138 2711.024       272.4779 1804.892       465.1840 296.7090 15.71453 219.1858 37.53711 77.52318       40.69375 
1 1 1 -30 15 17 o 262.9703 14.16730 2114.622       217.6897 2197.390       252.3117 1873.582       430.5759 266.3945 16.22656 228.0544 33.16409 38.34015       36.92097 
1 1 1 -30 15 18 o 127.7184 20.97835 532.1918       151.6850 533.2943       182.8577 529.7594       271.6084 124.7414 25.84530 116.6926 36.05627 8.048729       44.36254 
1 1 1 -30 15 19 o 62.73668 25.95469 74.37894       155.6772 -11.04007      196.4512 218.5641       255.2335 60.76484 27.11382 84.38586 33.85352 -23.62102      43.37303 
1 1 1 -30 15 20 o 54.07913 23.81639 -0.8975559     146.7457 -174.0049      179.5293 347.6050       254.7303 48.17966 22.96279 95.83385 34.92834 -47.65419      41.80046 
1 1 1 -30 15 21 o 239.5471 13.66810 1765.875       191.2244 1822.556       260.6765 1699.837       281.3719 238.4845 18.78932 227.5406 21.33368 10.94382       28.42824 
1 1 1 -30 15 22 o 56.43430 24.43051 26.23416       148.7757 -47.16319      186.6832 153.9899       246.2948 56.20072 25.62214 76.92977 32.29791 -20.72905      41.22680 
1 1 1 -30 15 23 o 108.5425 23.77695 408.9668       147.1622 582.7806       184.7481 107.2280       243.4184 128.8764 25.34666 72.72198 31.36465 56.15444       40.32611 
1 1 1 -30 15 24 o 112.5404 25.06556 448.6634       161.1944 465.2425       205.2006 421.9457       260.4935 109.8707 30.67698 100.6975 35.48272 9.173264       46.90523 
1 1 1 -30 15 25 o 134.5830 20.36569 604.9752       155.7258 599.1472       195.4199 615.1149       257.7642 128.4207 26.81375 121.7760 34.51767 6.644699       43.70866 
1 1 1 -30 15 26 o 43.57572 20.78885 -141.2161      147.8943 43.58308       186.2145 -456.9254      243.3924 61.47696 26.95951 46.17305 22.96517 15.30392       35.41488 
1 1 1 -30 15 27 o 101.8815 32.28782 430.0802       216.3878 -30.89032      467.2124 555.9630       244.1523 77.03764 36.80682 114.4100 33.94421 -37.37235      50.06947 
1 1 1 -30 15 28 o 109.5850 24.24083 432.6951       151.6589 508.5236       188.1009 291.8330       256.3727 115.3746 28.07046 85.06649 33.99598 30.30815       44.08715 
1 1 1 -30 15 29 o 165.2745 15.93442 878.7654       152.5392 860.0979       190.2709 912.3462       255.1958 158.6234 20.96576 153.6401 29.39219 4.983261       36.10352 
1 1 1 -30 15 30 o 102.9197 24.56073 390.8048       146.1788 389.7228       179.5829 392.9294       251.6514 98.38355 29.09204 93.02468 34.57595 5.358871       45.18676 
1 1 1 -30 15 31 o 50.46769 22.75665 -10.95311      142.4292 129.8491       173.4155 -302.8059      249.6694 66.28435 27.40521 50.44883 24.74268 15.83552       36.92216 
1 1 1 -30 15 32 o 86.39589 26.18313 289.5593       144.1185 242.5213       175.3186 387.5865       253.0911 78.26961 28.90215 91.20661 34.51164 -12.93700      45.01541 
1 1 1 -30 16 1  o 110.1564 29.40382 412.4215       193.5066 362.5381       226.9589 545.2194       370.3093 102.9397 33.11542 121.4336 42.34195 -18.49387      53.75381 
1 1 1 -30 16 2  o 123.6724 28.84190 516.6174       205.3322 444.1190       223.8111 902.0650       516.0599 113.1802 32.19188 147.3542 50.03827 -34.17397      59.49913 
1 1 1 -30 16 3  o 331.5735 13.36113 3309.537       259.2885 2814.756       325.9513 4162.169       427.8852 302.1815 18.48061 366.1561 20.00151 -63.97464      27.23222 
1 1 1 -30 16 4  o 260.9399 14.68357 2063.711       223.8036 1628.144       274.7798 2922.097       385.7440 227.9664 20.78066 304.9994 21.70688 -77.03296      30.05037 
1 1 1 -30 16 5  f 259.3666 15.05171 2043.345       227.9715 1876.658       284.4792 2342.505       381.1105 245.3535 19.94184 270.5354 24.27807 -25.18193      31.41818 
1 1 1 -30 16 6  o 172.3006 19.47258 928.6947       193.3269 832.2089       234.0931 1135.658       342.8494 159.2819 25.95215 180.6355 33.59936 -21.35359      42.45505 
1 1 1 -30 16 7  o 212.5447 16.17936 1384.055       200.1643 1409.612       246.2999 1334.344       343.5101 212.1353 20.03438 198.4890 30.48182 13.64626       36.47627 
1 1 1 -30 16 8  o 101.4407 27.36447 348.5672       166.5166 375.1971       195.1796 277.3444       319.1973 104.2179 30.19531 96.18967 38.09862 8.028275       48.61339 
1 1 1 -30 16 9  o 66.97456 25.93612 110.9251       145.1598 12.93880       162.9751 487.0438       319.3016 59.18762 25.59610 114.4735 39.34778 -55.28588      46.94048 
1 1 1 -30 16 10 o 138.8103 20.32556 613.2090       160.5659 700.5403       189.5815 391.5959       302.0012 147.1813 22.69142 104.9401 38.06307 42.24122       44.31363 
1 1 1 -30 16 11 o 117.2870 44.93151 538.9077       432.3243 0.000000       0.000000 538.9077       432.3243 ?        ?        117.2870 44.93151 0.000000       44.93151 
1 1 1 -30 16 12 o 132.8420 21.13695 568.2810       159.1633 701.4875       188.1911 233.6050       298.2968 147.0078 22.54597 90.34318 36.47359 56.66465       42.87941 
1 1 1 -30 16 13 o 68.62213 26.86187 118.3593       157.0390 194.4043       186.1076 -69.65182      292.6310 79.80267 29.72019 69.93097 31.95713 9.871696       43.64112 
1 1 1 -30 16 14 o 80.41764 26.56824 214.0030       145.5978 324.5441       167.0557 -135.2856      296.9557 96.68947 27.91168 66.98318 31.16805 29.70628       41.83909 
1 1 1 -30 16 15 o 128.5244 20.64882 534.0131       150.3733 598.2872       177.9962 373.7830       281.0379 134.5004 23.41527 101.0261 36.70745 33.47429       43.53977 
1 1 1 -30 16 16 o 138.9312 18.44187 612.8188       146.5563 567.0686       172.3617 732.2214       278.4524 130.6935 23.34392 140.1542 34.18613 -9.460678      41.39602 
1 1 1 -30 16 17 f 188.7281 15.10109 1100.686       165.7523 945.7933       207.5380 1373.505       275.4354 170.7545 21.17770 204.0226 23.44483 -33.26808      31.59359 
1 1 1 -30 16 18 o 159.3350 16.54671 796.5001       152.3738 558.8268       190.4046 1219.804       254.1052 126.9230 26.43875 192.0797 23.01468 -65.15669      35.05258 
1 1 1 -30 16 19 o 42.02417 20.03967 -146.0159      137.1068 -286.3587      167.8530 135.3514       237.6681 41.21807 20.23012 75.73422 31.75715 -34.51615      37.65335 
1 1 1 -30 16 20 o 116.6718 23.97444 467.1052       158.5565 464.1234       210.1071 471.0496       241.6535 110.9246 31.06721 109.3405 34.04718 1.584114       46.09102 
1 1 1 -30 16 21 o 234.8542 13.82936 1701.705       189.6376 1886.234       263.7415 1504.185       272.8672 242.4539 18.69230 212.7121 22.19940 29.74182       29.02095 
1 1 1 -30 16 22 o 104.1784 26.01223 388.1860       158.4359 414.6750       203.5113 347.4305       252.4348 103.9431 31.02786 94.04619 34.68922 9.896912       46.54105 
1 1 1 -30 16 23 o 50.25087 22.73910 -33.68649      143.6882 -1.959529      171.3627 -108.8157      263.6978 56.85281 25.34875 61.73786 28.93750 -4.885048      38.46996 
1 1 1 -30 16 24 o 107.3609 25.46932 414.5167       157.9323 607.2438       198.3600 80.78365       261.0252 129.2203 27.04370 71.34042 31.57555 57.87990       41.57376 
1 1 1 -30 16 25 o 61.02104 25.67244 74.95847       156.1208 -51.07727      199.4664 274.2663       250.8332 56.63195 26.06593 84.94309 33.73178 -28.31114      42.62940 
1 1 1 -30 16 26 o 92.38043 26.09803 317.0048       147.6026 470.3600       185.0273 48.61441       244.7768 111.0570 28.32324 67.04282 30.06448 44.01418       41.30471 
1 1 1 -30 16 27 o 66.04425 26.09663 132.5648       149.4373 116.3420       186.8362 161.3714       248.9687 67.08289 28.14502 74.55786 31.93145 -7.474976      42.56477 
1 1 1 -30 16 28 o 90.58024 26.32690 310.1391       148.1609 242.7206       179.5431 454.0461       262.3132 79.75699 29.28315 99.97527 35.57038 -20.21828      46.07337 
1 1 1 -30 16 29 o 179.9106 15.64976 1039.566       163.4844 1016.539       202.6227 1082.519       276.7321 172.8895 20.37417 167.2164 29.28481 5.673096       35.67501 
1 1 1 -30 16 30 o 114.4591 24.21539 478.3152       157.4710 369.0414       190.8656 711.2537       278.6702 94.20653 30.37400 124.3694 36.09373 -30.16286      47.17348 
1 1 1 -30 16 31 o 139.7663 20.49502 672.2467       163.0077 599.2053       205.1204 797.4376       268.5411 122.9383 28.93384 135.6360 33.86458 -12.69773      44.54185 
1 1 1 -30 17 1  o 148.8329 22.91137 712.7385       193.5810 723.9276       227.2578 683.1534       369.5372 147.4236 27.28941 132.9809 42.20019 14.44263       50.25503 
1 1 1 -30 17 2  f 219.0528 16.12724 1469.164       205.7330 1305.439       247.1037 1839.070       371.4207 203.4636 21.01001 236.4715 27.28115 -33.00793      34.43372 
1 1 1 -30 17 3  o 177.7489 18.82321 985.2921       193.2453 776.6487       229.3040 1496.661       358.9852 153.2507 26.46957 210.8394 29.86687 -57.58865      39.90825 
1 1 1 -30 17 4  o 203.0273 16.54461 1266.772       195.2916 1098.154       235.8961 1634.080       348.1641 185.6680 22.09674 222.6283 27.23198 -36.96030      35.06917 
1 1 1 -30 17 5  o 236.6449 14.94731 1705.397       206.3887 1501.322       253.3176 2108.338       355.9518 218.8321 19.95743 256.0728 23.98053 -37.24072      31.19880 
1 1 1 -30 17 6  o 116.9140 26.92098 461.2254       180.7734 406.3774       210.3474 616.1813       353.5583 107.7307 31.38562 126.2562 41.38629 -18.52554      51.94114 
1 1 1 -30 17 7  o 206.1836 16.16619 1306.196       193.9223 1383.510       236.9352 1149.313       337.5135 210.1398 19.44571 181.1145 32.99020 29.02533       38.29477 
1 1 1 -30 17 8  o 91.35353 28.29966 282.6845       167.1935 412.1087       193.7466 -94.80375      330.8857 108.9084 29.57618 73.38921 33.70299 35.51922       44.84018 
1 1 1 -30 17 9  o 47.07222 21.83628 -97.90096      144.0448 -236.1560      160.8683 461.3189       323.5350 42.68806 20.69469 111.1448 39.50802 -68.45672      44.59993 
1 1 1 -30 17 10 o 275.1284 21.63638 2412.074       346.3093 0.000000       0.000000 2412.074       346.3093 ?        ?        275.1284 21.63638 0.000000       21.63638 
1 1 1 -30 17 11 o 211.6286 14.20034 1366.339       175.2276 1360.107       214.0060 1379.017       305.2310 208.9866 17.62463 203.6400 26.16092 5.346649       31.54395 
1 1 1 -30 17 12 o 238.0731 16.34783 1751.155       226.8698 1908.529       257.6202 1207.465       478.8384 247.3679 17.87830 167.5003 46.89594 79.86757       50.18827 
1 1 1 -30 17 13 o 130.0026 46.56384 746.0817       450.2614 0.000000       0.000000 746.0817       450.2614 ?        ?        130.0026 46.56384 0.000000       46.56384 
1 1 1 -30 17 14 o 111.7690 24.04379 419.5972       152.9266 398.5612       179.5640 475.1440       291.7874 106.5462 28.27218 110.9327 37.62629 -4.386505      47.06436 
1 1 1 -30 17 15 o 54.56764 24.15044 -12.53031      152.6752 174.2996       186.1666 -396.2836      266.8116 76.78798 29.46753 52.75325 25.81122 24.03473       39.17339 
1 1 1 -30 17 16 o 266.7453 13.55733 2173.271       211.3951 1873.720       242.1403 3133.272       433.4788 244.8828 16.96490 307.5573 24.22758 -62.67442      29.57674 
1 1 1 -30 17 17 o 132.2477 40.84605 742.9188       348.6046 0.000000       0.000000 742.9188       348.6046 ?        ?        132.2477 40.84605 0.000000       40.84605 
1 1 1 -30 17 18 o 146.1116 18.59057 685.2097       155.7021 455.6169       193.7011 1104.436       261.7444 111.7558 29.22699 179.6816 25.55831 -67.92580      38.82582 
1 1 1 -30 17 19 o 55.01803 23.59881 28.84327       136.3660 58.76381       166.1180 -32.98152      238.7885 61.92409 26.28737 63.85215 29.05914 -1.928062      39.18494 
1 1 1 -30 17 20 o 105.0972 24.88196 386.7249       150.9748 460.1746       188.0642 253.5881       253.1981 112.1424 28.53046 85.73895 33.94069 26.40346       44.33912 
1 1 1 -30 17 21 o 91.20693 27.90892 304.5593       163.2169 229.2541       207.8280 425.7546       263.6541 81.51667 31.17164 101.9051 35.71415 -20.38840      47.40434 
1 1 1 -30 17 22 o 55.45584 24.39306 11.32829       153.5056 47.67059       193.6744 -50.07851      251.7528 63.43868 27.66398 63.44128 29.23029 -0.2597809E-02 40.24556 
1 1 1 -30 17 23 o 45.27287 21.55806 -144.8313      157.5107 -87.11492      194.1853 -255.8477      269.3149 54.14022 25.19614 55.97655 27.04983 -1.836327      36.96672 
1 1 1 -30 17 24 o 114.0699 24.06668 459.6955       155.9337 483.0578       191.7465 414.0732       267.9528 112.7225 28.87803 98.07522 35.81137 14.64729       46.00430 
1 1 1 -30 17 25 o 78.11781 27.07682 222.7795       151.3198 265.2381       187.8306 144.2661       255.4202 83.32537 30.04600 74.24614 32.07577 9.079231       43.95016 
1 1 1 -30 17 26 o 62.50001 25.34760 104.2621       144.8091 182.3089       177.4568 -51.29151      250.5273 73.21193 28.58498 61.72622 28.69005 11.48571       40.49963 
1 1 1 -30 17 27 o 88.63503 26.69335 297.8170       150.1248 127.2949       183.5428 642.4776       260.9412 67.66386 28.10431 121.5968 34.81656 -53.93290      44.74422 
1 1 1 -30 17 28 o 100.7425 25.14000 376.6369       148.0501 411.9605       180.4293 303.8409       259.0169 101.8896 28.87852 85.11059 34.11747 16.77906       44.69867 
1 1 1 -30 17 29 o 92.00274 26.82363 327.4673       153.5912 137.0435       185.1005 748.3981       275.2025 67.88639 28.21229 129.5693 35.27536 -61.68295      45.16950 
1 1 1 -30 17 30 o 105.9093 25.33275 420.2794       155.2301 463.2436       192.9013 341.3380       261.4778 106.6066 29.73527 87.33984 34.51737 19.26672       45.55914 
1 1 1 -30 17 31 o 95.95162 27.70204 367.5025       164.5464 534.0036       207.8444 87.90914       269.3352 113.0665 30.60297 68.62436 31.08490 44.44210       43.62124 
1 1 1 -30 18 1  o 87.91917 29.92092 254.7334       184.5329 496.5443       214.8318 -425.7626      360.3906 119.3146 30.56712 64.18389 31.08217 55.13070       43.59415 
1 1 1 -30 18 2  o 241.0307 16.90924 1789.518       237.5105 1890.873       266.8892 1403.681       520.7277 246.5721 18.59294 184.1037 47.80871 62.46837       51.29688 
1 1 1 -30 18 3  f 267.8834 13.60878 2172.656       213.1034 1871.204       252.2145 2924.884       398.4146 245.9617 17.60079 302.8793 22.59200 -56.91766      28.63890 
1 1 1 -30 18 4  o 168.9254 17.32841 885.6812       169.2429 815.2341       196.0055 1092.109       335.5219 159.7107 21.46914 175.5563 33.81423 -15.84563      40.05404 
1 1 1 -30 18 5  o 279.6502 12.82433 2360.513       209.7697 2042.123       255.0879 3025.560       368.6689 257.2985 16.99975 310.1367 20.38199 -52.83823      26.54085 
1 1 1 -30 18 6  o 196.5292 32.18067 1347.303       358.0879 0.000000       0.000000 1347.303       358.0879 ?        ?        196.5292 32.18067 0.000000       32.18067 
1 1 1 -30 18 7  o 214.3599 16.09492 1414.375       200.8629 1621.729       243.6592 974.6177       354.8401 228.0098 18.37683 160.8543 38.18793 67.15549       42.37955 
1 1 1 -30 18 8  o 65.32697 26.63111 83.46175       160.8210 249.8787       182.5694 -492.8623      339.7525 86.65757 29.75438 59.41717 29.08328 27.24040       41.60722 
1 1 1 -30 18 9  o 63.13562 25.46016 82.21011       145.1665 84.68858       161.1889 71.56958       333.9833 65.40398 26.66191 81.62357 35.93904 -16.21959      44.74899 
1 1 1 -30 18 10 f 46.11860 21.41197 -94.70273      138.9476 -80.50105      152.8565 -162.2577      333.3824 49.73727 22.86537 69.84326 32.67210 -20.10599      39.87846 
1 1 1 -30 18 11 o 59.15388 25.09181 38.04358       151.1512 48.76218       173.8526 4.852588       305.9302 63.31902 26.88647 74.99791 33.62297 -11.67889      43.05098 
1 1 1 -30 18 12 o 218.0748 14.03908 1452.957       178.5999 1654.824       224.6529 1106.227       294.4254 230.8976 16.70273 178.9456 29.04990 51.95209       33.50937 
1 1 1 -30 18 13 o 175.2852 16.11372 954.3525       163.7979 1179.203       205.5399 563.0502       271.1476 193.4408 18.33640 121.2754 35.71776 72.16541       40.14949 
1 1 1 -30 18 14 o 147.8305 20.01028 703.3361       169.0369 939.0804       215.5322 326.6141       272.4594 169.4567 22.22214 95.48265 35.87819 73.97401       42.20271 
1 1 1 -30 18 15 o 62.63096 30.44566 -394.8090      354.5072 0.000000       0.000000 -394.8090      354.5072 ?        ?        62.63096 30.44566 0.000000       30.44566 
1 1 1 -30 18 16 o 193.8382 14.76350 1162.104       166.5712 1317.919       212.1556 911.6841       268.9571 204.0587 17.90901 159.5815 29.83416 44.47719       34.79670 
1 1 1 -30 18 17 o 244.9333 12.88373 1833.578       184.4209 1799.134       245.5005 1878.189       279.3958 238.4134 17.68375 241.2731 19.92254 -2.859787      26.63875 
1 1 1 -30 18 18 o 108.9299 23.28487 405.4258       144.2451 416.2114       174.8113 382.4148       255.3385 107.4524 27.59710 98.71399 35.09714 8.738365       44.64761 
1 1 1 -30 18 19 o 81.97270 26.29154 236.4179       143.1355 268.2581       174.3024 170.4825       250.8274 86.16307 29.08181 78.60912 32.76885 7.553955       43.81266 
1 1 1 -30 18 20 o 87.57994 26.26668 275.0742       145.5857 237.0052       176.9590 354.8108       256.1040 81.72493 29.20054 94.79626 34.94487 -13.07133      45.53916 
1 1 1 -30 18 21 o 41.33414 19.89725 -170.6621      142.3757 -149.2725      170.1431 -220.6265      260.0423 47.35079 22.50721 56.58595 27.14851 -9.235157      35.26494 
1 1 1 -30 18 22 o 58.19211 24.63853 55.80474       145.2905 166.2018       177.8620 -165.6003      251.8826 72.66834 28.54513 57.55674 27.36601 15.11160       39.54394 
1 1 1 -30 18 23 o 44.11862 20.96390 -131.1573      147.3658 -139.3334      176.2499 -112.1618      268.6468 48.47134 23.00163 61.39248 28.91092 -12.92115      36.94477 
1 1 1 -30 18 24 o 104.8211 25.54771 400.9029       155.6015 403.2047       194.7766 396.8427       258.6883 100.8573 30.41183 96.03287 35.16760 4.824402       46.49343 
1 1 1 -30 18 25 o 67.60215 26.57346 142.2751       154.2323 152.0346       190.7273 123.8343       262.1726 70.81152 28.95056 72.87292 31.97198 -2.061401      43.13169 
1 1 1 -30 18 26 o 66.14053 25.74294 137.3263       143.5622 135.9299       169.1416 140.9243       271.5058 67.61900 27.40517 74.13125 32.52971 -6.512245      42.53500 
1 1 1 -30 18 27 o 74.06139 26.37747 200.1624       144.2827 95.70734       168.5058 487.1594       279.3116 63.21273 26.63726 101.5749 36.63768 -38.36216      45.29750 
1 1 1 -30 18 28 o 170.6206 17.14779 952.4821       169.2650 941.4495       213.8239 970.9995       277.0171 163.3162 22.95709 154.9056 31.56478 8.410599       39.03028 
1 1 1 -30 18 29 o 52.39743 23.58697 -4.639207      152.2765 37.51320       182.4160 -101.5352      276.5698 59.19603 26.28781 60.64721 28.78942 -1.451180      38.98563 
1 1 1 -30 18 30 o 106.7024 34.07923 519.3576       240.6792 282.2273       412.5356 641.7183       296.3391 82.99209 37.93255 112.8536 37.91899 -29.86153      53.63514 
1 1 1 -30 19 1  o 97.23151 28.95629 326.2185       177.4057 256.1759       204.2251 541.5977       358.1211 88.27255 31.38796 117.9541 41.60035 -29.68151      52.11327 
1 1 1 -30 19 2  f 147.4748 23.09864 707.9496       193.2278 775.4080       210.3744 343.9972       488.6491 153.8045 24.11450 105.7867 45.00317 48.01775       51.05677 
1 1 1 -30 19 3  o 224.7457 15.42325 1548.501       202.0585 1507.380       239.1979 1650.945       377.5472 219.4719 18.76334 219.5695 30.11128 -0.9757996E-01 35.47889 
1 1 1 -30 19 4  o 113.8033 25.76123 437.0738       167.9194 243.1230       191.1198 1093.609       351.6323 86.10847 30.38842 172.8718 35.85964 -86.76337      47.00393 
1 1 1 -30 19 5  o 170.2781 17.26858 902.6528       170.0690 833.8132       195.6632 1115.361       343.9397 161.2915 21.19715 175.6739 34.61456 -14.38243      40.58925 
1 1 1 -30 19 6  o 180.2422 16.54750 1006.471       172.9696 1065.223       199.9223 831.5759       344.9361 184.0851 18.78072 146.3633 39.34216 37.72186       43.59497 
1 1 1 -30 19 7  o 123.1908 24.29204 505.2273       169.2666 618.5793       195.9839 172.4238       335.8147 135.8327 25.53897 87.78800 37.32539 48.04469       45.22636 
1 1 1 -30 19 8  o 48.56869 22.41621 -86.86417      148.9683 -80.90708      167.8457 -108.9684      323.3188 52.33727 24.02368 71.11157 32.89252 -18.77431      40.73150 
1 1 1 -30 19 9  o 96.79715 25.48556 319.2830       146.6404 225.6696       161.5907 756.1196       349.0655 82.46295 28.00019 137.2579 40.55264 -54.79500      49.28009 
1 1 1 -30 19 10 o 51.89860 23.47472 -48.93656      152.9417 -99.05882      172.4171 136.0890       331.2691 51.81220 23.98467 84.52515 36.52288 -32.71296      43.69423 
1 1 1 -30 19 11 o 187.7816 15.81550 1091.945       172.5578 1144.560       203.3608 956.6453       326.1059 190.5143 18.43065 159.5225 35.74445 30.99173       40.21635 
1 1 1 -30 19 12 o 72.93082 25.53848 169.2000       134.7989 113.1554       154.6841 346.1106       274.8246 67.19449 26.55091 97.49866 36.15281 -30.30417      44.85506 
1 1 1 -30 19 13 o 247.9727 12.97013 1872.481       187.9691 2034.250       254.0683 1676.861       279.3889 255.0824 17.08165 227.7801 21.15609 27.30229       27.19123 
1 1 1 -30 19 14 o 79.40317 27.04916 212.7597       150.8158 227.3199       191.2531 188.8174       245.2491 82.43815 30.23037 81.23389 32.97171 1.204254       44.73264 
1 1 1 -30 19 15 o 96.44843 25.20536 324.1965       144.1311 381.5816       177.7487 214.0288       246.2827 102.7476 28.50049 82.99818 33.26907 19.74945       43.80763 
1 1 1 -30 19 16 o 205.6598 14.77218 1311.521       176.9872 1483.686       235.7990 1089.375       267.8486 215.2100 18.87308 177.1590 26.60039 38.05104       32.61555 
1 1 1 -30 19 17 o 91.65755 39.27575 276.7742       377.0349 0.000000       0.000000 276.7742       377.0349 ?        ?        91.65755 39.27575 0.000000       39.27575 
1 1 1 -30 19 18 o 197.4153 14.56188 1210.623       167.4100 1436.030       216.6332 876.4422       263.7738 212.4799 17.54037 154.4238 30.20753 58.05612       34.93078 
1 1 1 -30 19 19 o 110.2509 23.28506 418.6734       145.8317 349.5394       177.1431 564.0596       256.8859 96.85647 28.95654 117.8534 34.78043 -20.99696      45.25660 
1 1 1 -30 19 20 o 78.01524 26.75463 213.8923       147.6006 194.8271       179.8295 253.2521       258.3848 76.37635 29.04665 84.76540 34.04252 -8.389046      44.75043 
1 1 1 -30 19 21 o 95.60061 26.13232 333.0643       150.6773 561.0010       184.1386 -128.8510      262.1312 125.1604 25.93873 60.31319 28.45032 64.84719       38.49985 
1 1 1 -30 19 22 o 143.4632 20.39666 687.9108       166.7831 794.0867       211.8587 514.8654       270.4665 149.9953 24.96021 108.5684 36.22205 41.42686       43.98919 
1 1 1 -30 19 23 o 75.36369 26.61906 202.5049       146.6719 226.9515       176.8191 148.5783       262.6161 78.82159 29.03966 75.08121 32.48061 3.740387       43.56940 
1 1 1 -30 19 24 o 71.14511 27.20953 170.0345       158.3684 94.96813       197.2894 306.0430       265.5608 66.24780 28.39970 86.84282 34.63518 -20.59502      44.78994 
1 1 1 -30 19 25 o 88.69188 27.25546 299.8729       155.4541 337.8708       193.9042 231.5140       260.0789 91.48547 30.67228 80.20403 33.39547 11.28144       45.34364 
1 1 1 -30 19 26 o 64.23351 26.62527 109.2226       164.2626 22.58475       206.8629 257.0832       270.2433 61.15579 27.51376 81.70817 34.03337 -20.55238      43.76388 
1 1 1 -30 19 27 o 115.7428 22.94351 477.3401       150.2364 527.5041       176.7672 346.8314       285.1186 118.7457 26.09596 88.05392 35.61955 30.69180       44.15599 
1 1 1 -30 19 28 o 52.13812 23.33998 1.202572       146.8284 157.0072       171.9516 -418.2045      282.1200 69.08601 27.76217 50.74396 25.15019 18.34204       37.46024 
1 1 1 -30 19 29 o 58.77232 28.41437 -194.3986      298.0514 -136.6626      441.5641 -242.7193      403.9584 69.96001 34.00165 65.08992 31.82868 4.870087       46.57443 
1 1 1 -30 20 1  o 104.0507 27.42999 373.0476       169.7317 437.2748       192.1863 145.3646       361.8497 111.8704 29.04118 87.97800 38.09315 23.89238       47.90071 
1 1 1 -30 20 2  o 238.8287 14.10637 1738.046       196.7043 1785.657       230.4231 1610.135       377.6810 240.4892 16.43608 215.5832 30.74149 24.90599       34.85949 
1 1 1 -30 20 3  o 254.4328 13.36688 1964.845       198.7593 1746.432       234.0144 2530.368       376.5556 237.4299 16.91651 279.7346 23.16000 -42.30472      28.68020 
1 1 1 -30 20 4  o 300.5321 14.24682 2752.707       250.3923 2443.419       279.4534 4012.053       563.8976 280.8234 17.04811 345.0179 28.11157 -64.19446      32.87702 
1 1 1 -30 20 5  o 187.1580 16.56204 1086.556       179.9167 956.1808       206.6891 1494.295       365.5202 172.8106 20.81221 206.8179 31.09674 -34.00729      37.41866 
1 1 1 -30 20 6  o 124.3025 21.61702 503.3865       151.8705 376.1786       169.0671 1035.000       345.6208 104.2233 27.32884 166.2814 36.44870 -62.05811      45.55627 
1 1 1 -30 20 7  o 134.5666 21.64124 589.0704       165.0029 710.7018       189.4053 206.1643       336.0591 147.3974 22.63276 89.40433 37.64264 57.99304       43.92278 
1 1 1 -30 20 8  o 125.2970 22.53648 517.1467       159.5182 594.1475       182.8724 272.1111       326.2234 133.3934 24.26941 93.28176 37.96594 40.11167       45.06015 
1 1 1 -30 20 9  o 191.2192 15.00239 1126.736       166.8989 1056.123       189.9385 1365.983       349.6179 183.2458 17.90180 196.0662 31.46902 -12.82042      36.20461 
1 1 1 -30 20 10 o 62.08818 25.52719 72.83611       149.3478 46.09697       170.2249 162.2291       311.2441 62.17768 26.51011 84.10062 35.85168 -21.92294      44.58844 
1 1 1 -30 20 11 o 234.8325 13.42923 1684.215       184.1813 1520.516       224.6917 2019.475       321.5547 220.0145 17.55906 248.8894 22.26406 -28.87485      28.35505 
1 1 1 -30 20 12 o 133.4080 18.86650 571.1598       143.4981 648.6053       168.6631 368.1516       273.0728 140.8826 21.05848 98.69829 36.13400 42.18431       41.82254 
1 1 1 -30 20 13 o 123.9331 34.37376 595.1616       258.5701 0.000000       0.000000 595.1616       258.5701 ?        ?        123.9331 34.37376 0.000000       34.37376 
1 1 1 -30 20 14 o 63.54828 25.17337 101.6311       139.3723 126.7788       166.9082 43.71065       253.3056 69.07288 27.48787 70.35806 31.12467 -1.285179      41.52503 
1 1 1 -30 20 15 f 127.7789 21.60690 543.0714       156.1543 492.9238       196.5352 628.9312       257.1638 116.2656 28.93780 127.1367 33.87916 -10.87112      44.55551 
1 1 1 -30 20 16 o 199.2215 15.46210 1239.812       179.2439 1036.101       205.3442 1891.833       367.3719 178.4607 19.96110 232.1189 27.52133 -53.65820      33.99807 
1 1 1 -30 20 17 o 183.3767 17.15429 1068.714       182.3465 1222.860       207.3200 542.0230       383.2239 195.2012 18.32382 108.6755 42.12588 86.52577       45.93857 
1 1 1 -30 20 18 f 80.97198 25.98362 232.0837       139.7898 258.8837       169.1873 174.4272       248.1561 84.45487 28.65109 78.14797 32.58659 6.306900       43.39091 
1 1 1 -30 20 19 o 96.45457 40.40479 392.0450       384.1334 0.000000       0.000000 392.0450       384.1334 ?        ?        96.45457 40.40479 0.000000       40.40479 
1 1 1 -30 20 20 o 49.69931 22.48640 -31.44431      140.4545 -6.548572      167.7477 -89.82998      256.8900 55.75233 24.95339 61.53280 28.75037 -5.780468      38.06909 
1 1 1 -30 20 21 o 65.72708 26.42599 119.3679       155.8834 237.5152       198.7012 -69.72668      251.3786 80.76580 30.57513 61.64476 28.68152 19.12104       41.92216 
1 1 1 -30 20 22 o 75.99997 26.65418 207.1031       146.8706 313.6361       176.4398 -33.27430      265.0338 90.03409 29.21812 64.43586 29.79618 25.59823       41.73141 
1 1 1 -30 20 23 o 95.75221 27.18862 346.8963       159.7835 281.0396       199.4918 464.7533       266.8716 84.77655 30.90829 101.9758 35.91607 -17.19928      47.38446 
1 1 1 -30 20 24 o 65.74533 25.46953 135.3715       140.0230 -25.86225      165.4375 542.5815       262.9149 53.27594 24.22314 110.1755 35.65966 -56.89952      43.10884 
1 1 1 -30 20 25 o 88.14378 27.72844 301.0858       159.8617 367.8368       202.2366 189.9097       260.9977 94.17985 31.31924 76.53139 32.73328 17.64845       45.30300 
1 1 1 -30 20 26 o 121.3104 25.05087 539.9945       172.3209 609.3394       220.5795 431.3937       276.0416 122.5758 30.74193 95.82802 36.09064 26.74777       47.40887 
1 1 1 -30 20 27 o 108.1923 27.04912 449.9084       171.1591 490.9427       217.2664 382.7855       277.8779 107.3007 32.06622 90.89982 35.68760 16.40084       47.97757 
1 1 1 -30 20 28 o 118.5418 26.12793 530.2775       176.7446 514.1091       208.5992 571.4244       332.7734 111.0599 30.90078 103.1762 39.44657 7.883690       50.10878 
1 1 1 -30 21 1  o 136.7404 20.33582 601.4083       158.1265 640.3184       177.8837 454.8549       345.2252 139.8885 22.44074 108.5195 40.46577 31.36899       46.27164 
1 1 1 -30 21 2  o 289.8052 13.46618 2554.177       228.2507 2638.725       286.8648 2408.287       376.8217 291.6635 16.84208 271.2151 23.93575 20.44843       29.26731 
1 1 1 -30 21 3  o 178.1009 18.29812 999.0504       188.4119 1005.286       205.8837 966.9207       467.3583 177.3997 20.14508 146.2159 47.56074 31.18381       51.65122 
1 1 1 -30 21 4  o 271.0546 23.60050 2402.840       371.4337 0.000000       0.000000 2402.840       371.4337 ?        ?        271.0546 23.60050 0.000000       23.60050 
1 1 1 -30 21 5  o 336.0971 21.03215 3615.433       412.4931 0.000000       0.000000 3615.433       412.4931 ?        ?        336.0971 21.03215 0.000000       21.03215 
1 1 1 -30 21 6  o 243.7797 13.61445 1813.168       193.8739 1631.693       231.8622 2234.929       353.4710 228.3995 17.44141 261.3372 23.30658 -32.93767      29.11013 
1 1 1 -30 21 7  o 127.2720 20.75082 526.7739       149.5566 583.2433       168.9406 322.1889       321.5620 132.9830 22.46056 96.25742 38.20298 36.72558       44.31641 
1 1 1 -30 21 8  o 192.1346 15.78613 1145.924       176.3144 1336.412       211.4527 711.3214       319.3927 206.1809 17.65678 132.8695 38.66448 73.31134       42.50534 
1 1 1 -30 21 9  o 63.38223 24.87194 100.7469       134.9140 162.4155       150.2118 -156.5958      306.8514 72.61774 26.76370 66.10761 31.05850 6.510132       40.99910 
1 1 1 -30 21 10 o 191.9231 15.43091 1143.787       172.2252 1177.783       206.7989 1066.839       311.1274 192.4417 18.55279 170.6114 32.27613 21.83032       37.22841 
1 1 1 -30 21 11 o 66.50768 25.71300 121.9611       142.4989 210.3232       167.2678 -111.8947      272.1156 79.26577 28.38189 63.90960 29.77085 15.35617       41.13192 
1 1 1 -30 21 12 o 58.89643 23.86183 73.69975       128.1806 49.40792       146.7297 151.9689       263.3804 58.73038 24.80818 78.76033 33.25161 -20.02995      41.48633 
1 1 1 -30 21 13 o 163.9538 16.36040 846.0349       155.2154 797.1208       190.8941 941.4641       266.6346 155.3910 21.52399 162.0979 29.11726 -6.706970      36.20907 
1 1 1 -30 21 14 o 175.9752 15.61295 969.1403       159.4633 1019.372       195.4843 869.2364       275.6847 177.8688 19.03530 152.5541 31.84361 25.31468       37.09930 
1 1 1 -30 21 15 o 163.7992 17.05616 852.2900       161.4517 889.0237       204.5888 791.6486       262.8661 163.4580 21.89139 144.9777 31.79330 18.48032       38.60112 
1 1 1 -30 21 16 o 263.8856 13.43572 2144.438       207.2503 1783.447       237.6405 3291.271       423.5669 236.9942 17.21486 312.8226 23.25362 -75.82845      28.93237 
1 1 1 -30 21 17 o 268.2197 12.04622 2197.050       189.0089 2114.077       251.5552 2304.619       286.4245 258.4392 16.68598 267.8451 18.34450 -9.405884      24.79803 
1 1 1 -30 21 18 o 92.96257 26.31105 314.5550       149.8806 275.8014       185.2543 387.9901       255.0139 85.95384 29.94976 97.15149 35.01233 -11.19765      46.07442 
1 1 1 -30 21 19 f 57.67338 23.99979 64.87487       134.2057 87.35808       159.7931 11.04444       247.2538 62.90981 26.18412 65.87344 29.81660 -2.963623      39.68171 
1 1 1 -30 21 20 o 101.0548 25.83140 372.5256       153.6581 609.1693       192.3388 -44.95852      255.4697 129.9016 26.15246 63.28755 29.26110 66.61401       39.24492 
1 1 1 -30 21 21 o 64.82719 31.37769 -243.5934      366.0883 0.000000       0.000000 -243.5934      366.0883 ?        ?        64.82719 31.37769 0.000000       31.37769 
1 1 1 -30 21 22 o 101.5936 36.03325 462.2064       268.9945 0.000000       0.000000 462.2064       268.9945 ?        ?        101.5936 36.03325 0.000000       36.03325 
1 1 1 -30 21 23 o 44.54032 21.23044 -136.9421      153.5444 -236.3492      187.3559 66.38480       267.9514 45.31076 22.05044 69.48428 31.28272 -24.17352      38.27310 
1 1 1 -30 21 24 o 54.22561 23.89317 20.17974       147.8709 136.7122       175.7087 -262.6967      273.7589 67.84017 27.76756 54.95560 26.72369 12.88457       38.53821 
1 1 1 -30 21 25 o 66.75758 26.98084 136.7040       163.4283 164.0549       201.8544 84.66003       278.4442 71.50417 29.56556 70.23025 31.72916 1.273918       43.36890 
1 1 1 -30 21 26 o 78.98345 28.49887 241.7111       169.0183 229.9948       209.2465 263.7065       286.7007 77.69293 30.82297 81.54913 34.57293 -3.856194      46.31785 
1 1 1 -30 21 27 o 80.48668 29.67012 258.6948       184.6245 267.8575       225.2475 239.9371       322.2844 81.06233 32.03675 80.14287 35.29489 0.9194641      47.66636 
1 1 1 -30 22 1  o 136.3746 21.24683 606.4409       164.3985 782.3424       192.0806 124.6809       317.8807 154.8294 21.75243 82.06196 35.61689 72.76746       41.73405 
1 1 1 -30 22 2  o 236.1225 13.85666 1705.715       191.0440 1706.808       234.1245 1703.536       330.4908 233.6057 17.20966 225.3789 25.44769 8.226791       30.72064 
1 1 1 -30 22 3  o 240.3509 13.66176 1765.661       191.7832 1660.630       230.8227 1999.812       344.6430 230.3579 17.20977 245.6016 24.24279 -15.24370      29.73027 
1 1 1 -30 22 4  o 97.52738 26.20755 331.0349       153.0918 151.2536       171.7753 1025.234       337.5442 72.88614 28.21698 163.8071 36.10948 -90.92096      45.82677 
1 1 1 -30 22 5  o 186.1680 15.15463 1072.734       164.0330 929.8069       184.3300 1616.625       359.5794 170.9373 18.69122 214.7863 29.30934 -43.84898      34.76203 
1 1 1 -30 22 6  o 161.6065 17.83050 827.0856       166.1885 824.0836       193.6672 835.4702       323.6640 158.8867 21.32114 144.9014 37.72368 13.98521       43.33205 
1 1 1 -30 22 7  o 140.9736 19.63623 641.8977       157.9477 579.7820       183.3303 820.7868       311.1181 130.3885 24.88171 144.3919 36.67484 -14.00331      44.31866 
1 1 1 -30 22 8  o 75.68264 26.76813 188.0952       148.3599 117.0222       170.2366 412.5421       302.5223 68.57903 27.60073 102.2057 37.92478 -33.62670      46.90511 
1 1 1 -30 22 9  o 47.15566 21.87394 -86.59597      144.5158 -79.58884      166.2302 -108.2839      292.4479 51.39404 23.70560 66.17704 30.83911 -14.78300      38.89738 
1 1 1 -30 22 10 o 156.5795 17.21271 776.7082       155.4610 754.6015       182.8949 834.2662       295.1160 151.5632 21.15111 146.7871 34.81166 4.776047       40.73354 
1 1 1 -30 22 11 o 155.2256 17.54749 766.5338       156.9480 770.1814       187.6059 758.0280       286.4853 152.7104 21.54522 138.9586 35.13766 13.75180       41.21713 
1 1 1 -30 22 12 o 41.46052 19.71200 -131.7511      130.6588 -96.49549      149.4831 -245.8834      268.9565 47.24212 22.02626 57.35775 27.54261 -10.11563      35.26686 
1 1 1 -30 22 13 o 109.2148 22.38554 404.3714       138.5628 470.6256       163.2441 233.6022       262.0808 116.4367 24.67323 84.36581 34.14206 32.07092       42.12420 
1 1 1 -30 22 14 f 138.8613 19.17730 627.8875       152.0127 661.6069       183.8460 555.0087       270.2805 139.4830 23.29508 115.9597 35.99127 23.52335       42.87228 
1 1 1 -30 22 15 o 66.29946 25.45348 129.1102       138.9429 92.39999       165.0811 218.2916       257.3008 64.56168 26.72003 82.21120 33.62015 -17.64952      42.94501 
1 1 1 -30 22 16 o 141.4721 20.09087 661.4375       162.0123 527.6060       200.4426 913.6268       275.1529 118.9439 29.00000 155.2771 31.29684 -36.33318      42.66723 
1 1 1 -30 22 17 o 144.9534 17.95927 680.7700       149.4118 831.8950       188.2561 423.5593       245.5982 157.9520 20.82952 101.1407 34.51648 56.81123       40.31447 
1 1 1 -30 22 18 o 86.46347 26.28111 273.5824       145.0522 331.8991       177.5011 156.3517       251.6663 93.18053 29.20490 75.76587 32.26646 17.41466       43.52070 
1 1 1 -30 22 19 o 119.0884 22.94689 493.1421       154.4551 698.3245       197.8637 173.0809       247.1227 140.3167 24.95874 76.35860 32.22182 63.95813       40.75763 
1 1 1 -30 22 20 o 74.10470 25.84944 194.7823       138.0223 357.7645       164.0666 -199.8476      255.2967 97.20400 27.53370 55.88055 26.83349 41.32346       38.44659 
1 1 1 -30 22 21 o 94.96992 27.40924 342.6143       161.1120 402.2156       201.7184 237.6087       267.7465 99.66507 31.11817 81.32810 33.87549 18.33697       45.99879 
1 1 1 -30 22 22 o 117.4444 26.04714 508.3664       174.7068 712.3256       231.7535 239.8855       265.8958 135.2538 30.00199 81.02158 33.75384 54.23225       45.16017 
1 1 1 -30 22 23 o 97.66225 40.93815 504.6260       394.7457 0.000000       0.000000 504.6260       394.7457 ?        ?        97.66225 40.93815 0.000000       40.93815 
1 1 1 -30 22 24 o 58.10901 25.73585 31.72596       173.6763 -30.20022      218.7947 137.2116       285.5594 58.91045 27.18116 73.68709 32.79683 -14.77663      42.59633 
1 1 1 -30 22 25 o 95.08301 29.03983 363.8746       176.8210 392.0716       220.0422 312.4784       297.0782 94.97552 32.66356 85.18179 35.59700 9.793724       48.31205 
1 1 1 -30 22 26 o 65.02721 26.81528 122.4911       165.4465 147.7865       193.2202 52.98343       320.2934 69.10986 28.78105 70.42798 32.63287 -1.318115      43.51153 
1 1 1 -30 23 1  o 57.87378 24.67061 37.26711       147.3740 96.82974       168.3830 -157.7426      304.6768 66.43143 27.18579 65.59922 30.85986 0.8322144      41.12661 
1 1 1 -30 23 2  o 134.4093 20.60593 589.5492       157.2602 539.0842       181.6952 740.2355       313.9679 125.0802 25.63095 135.2617 38.01099 -10.18153      45.84518 
1 1 1 -30 23 3  o 117.0709 22.58862 458.8307       149.4729 340.3452       168.5200 895.8940       323.6615 97.57880 27.99221 150.7656 36.90739 -53.18681      46.32191 
1 1 1 -30 23 4  o 213.2336 14.40293 1401.970       179.0611 1382.931       209.7102 1453.200       344.0051 209.6127 17.21035 201.9717 29.94765 7.641022       34.54067 
1 1 1 -30 23 5  o 79.62605 26.70479 216.3470       146.9840 277.7657       165.9106 -7.714921      316.8897 88.43549 28.30014 73.45448 33.44725 14.98101       43.81343 
1 1 1 -30 23 6  o 127.6407 20.27923 532.5047       146.7350 681.8356       165.8286 -6.248518      314.9775 144.8516 20.05789 73.25385 33.35212 71.59777       38.91893 
1 1 1 -30 23 7  o 176.4449 16.28898 976.7896       166.6578 1023.977       197.2161 858.9204       311.6935 178.5377 19.13289 147.4249 36.29638 31.11281       41.03041 
1 1 1 -30 23 8  f 150.5060 17.51520 720.3594       151.7183 806.6949       174.8746 457.5820       305.0887 158.1283 19.25312 105.5427 38.26062 52.58561       42.83174 
1 1 1 -30 23 9  o 94.63277 26.52494 318.6037       153.0967 504.6406       178.1714 -206.3441      299.2929 119.9698 26.06950 62.41242 29.71882 57.55742       39.53261 
1 1 1 -30 23 10 o 44.45337 20.84492 -103.6620      137.0811 -6.025758      156.0833 -433.0057      286.6656 54.87431 24.34542 53.21485 26.18166 1.659466       35.75163 
1 1 1 -30 23 11 o 67.83710 26.32834 132.1302       149.8344 116.1303       178.5830 170.1752       275.3790 68.54334 28.01735 80.01558 33.90138 -11.47224      43.98040 
1 1 1 -30 23 12 o 37.05531 18.24994 -258.6776      140.4735 -354.9197      164.2340 3.632489       271.1366 37.92093 18.86143 68.79587 31.17300 -30.87494      36.43500 
1 1 1 -30 23 13 o 119.3196 21.60774 478.9417       145.6413 556.4210       172.6412 287.7010       271.2324 126.9441 24.06954 88.53838 35.10323 38.40569       42.56265 
1 1 1 -30 23 14 o 94.85199 35.47664 363.1326       265.7486 0.000000       0.000000 363.1326       265.7486 ?        ?        94.85199 35.47664 0.000000       35.47664 
1 1 1 -30 23 15 o 174.8566 16.58379 973.5822       168.0326 1061.044       211.8535 825.2374       275.9067 178.9516 20.55898 144.7733 33.20377 34.17821       39.05332 
1 1 1 -30 23 16 o 226.5627 13.25274 1587.752       175.3251 1691.880       223.1693 1419.869       283.3694 230.5302 16.61806 202.3178 24.37222 28.21240       29.49856 
1 1 1 -30 23 17 o 94.26906 39.89416 384.9789       380.6069 0.000000       0.000000 384.9789       380.6069 ?        ?        94.26906 39.89416 0.000000       39.89416 
1 1 1 -30 23 18 o 87.57681 27.38434 287.8776       156.1544 243.8039       195.4926 365.5679       259.5517 81.05206 30.40464 93.12404 35.01246 -12.07198      46.37149 
1 1 1 -30 23 19 o 43.70911 20.57048 -99.53661      135.6203 -140.5208      160.7714 1.584735       252.5352 45.71884 21.77314 65.02837 29.70548 -19.30954      36.83049 
1 1 1 -30 23 20 o 70.50041 26.80672 166.6805       153.1454 280.9644       184.9667 -82.44228      273.0912 84.99016 29.90364 62.47601 29.33586 22.51415       41.89057 
1 1 1 -30 23 21 o 45.59119 21.63425 -123.9893      155.8952 -102.5554      192.5602 -164.7620      265.5829 52.22359 24.55689 57.92538 27.69586 -5.701786      37.01488 
1 1 1 -30 23 22 o 84.38418 28.18587 276.9102       163.7607 372.3149       200.9266 88.14419       282.6276 94.73831 31.20681 71.04818 32.04482 23.69013       44.72958 
1 1 1 -30 23 23 o 87.61820 31.39540 318.6696       204.7132 569.3254       281.0372 35.33821       298.7943 109.3825 36.92764 68.98938 31.80734 40.39311       48.73764 
1 1 1 -30 23 24 o 57.60473 27.04222 -78.30986      231.8235 -75.70596      341.2358 -80.54175      315.9215 66.88113 31.81444 64.92000 30.80373 1.961128       44.28350 
1 1 1 -30 23 25 o 62.94236 28.50555 33.56407       226.3596 92.41301       304.3159 -39.32394      338.6752 71.43896 32.62443 67.63014 32.03217 3.808823       45.72104 
1 1 1 -30 24 1  o 79.65540 28.08745 215.0647       163.2466 227.5201       188.8084 178.1799       324.9110 81.93732 30.03820 84.38260 36.31364 -2.445274      47.12722 
1 1 1 -30 24 2  o 179.4420 16.52834 1011.812       171.9887 1134.468       200.0941 664.8651       336.5269 188.6842 18.31207 124.2958 40.35304 64.38833       44.31365 
1 1 1 -30 24 3  o 96.84822 27.04898 334.3854       159.5093 338.0073       184.1266 323.4919       319.3254 96.05142 29.68857 94.17820 37.83710 1.873222       48.09426 
1 1 1 -30 24 4  o 94.43568 24.86952 310.8895       139.6162 341.2753       156.3028 190.9394       310.5500 98.04952 26.53866 84.16116 35.84244 13.88836       44.59799 
1 1 1 -30 24 5  o 53.06921 22.94979 16.90705       131.0138 15.69040       144.2155 22.65450       313.4493 55.04391 23.93925 74.21249 33.58324 -19.16858      41.24223 
1 1 1 -30 24 6  o 71.72598 26.14081 164.3834       142.6779 135.0377       160.2366 276.7007       313.4819 69.24243 27.12532 89.95496 36.98397 -20.71253      45.86499 
1 1 1 -30 24 7  o 136.5294 19.90706 609.2075       154.7095 597.0728       179.8660 643.7157       303.3149 132.1338 24.09815 123.7016 38.08183 8.432198       45.06602 
1 1 1 -30 24 8  o 58.18730 24.55904 51.25506       143.6095 52.53625       162.9818 46.80634       303.7041 60.81894 25.93567 74.23735 33.37350 -13.41841      42.26641 
1 1 1 -30 24 9  o 98.85919 25.34710 345.6031       147.6403 353.5154       168.7986 319.8434       304.5707 98.36449 27.95002 92.29755 36.99695 6.066940       46.36786 
1 1 1 -30 24 10 o 60.85603 24.50734 87.70965       134.3039 -4.732961      151.3747 429.6238       291.1226 54.03457 23.97399 101.5983 37.29054 -47.56369      44.33212 
1 1 1 -30 24 11 o 46.01312 21.58195 -104.7215      147.1098 -208.7870      175.2797 143.2621       270.5764 45.36859 21.89872 77.11887 33.16250 -31.75029      39.74047 
1 1 1 -30 24 12 o 169.2384 17.07457 914.7778       167.1577 967.2037       207.5291 817.9374       282.0553 170.4296 21.22109 143.5874 34.01929 26.84222       40.09547 
1 1 1 -30 24 13 o 98.74229 25.03092 348.3161       145.1250 383.8539       173.2567 264.7502       265.6805 101.4609 28.13595 85.54903 34.46298 15.91192       44.48965 
1 1 1 -30 24 14 o 86.80485 27.06516 277.0827       152.6508 298.3588       188.6283 236.7042       259.8581 88.46785 30.24804 82.70294 33.79996 5.764908       45.35836 
1 1 1 -30 24 15 o 133.8057 21.27438 604.8297       161.3656 621.2386       199.3146 573.6133       274.9090 130.6829 26.90277 114.8823 36.39106 15.80061       45.25558 
1 1 1 -30 24 16 o 173.2752 16.84148 964.4111       168.9897 994.6782       213.4303 913.5518       276.6660 171.2676 21.73760 152.8387 31.89787 18.42897       38.60049 
1 1 1 -30 24 17 o 221.0566 13.35656 1518.696       172.3526 1520.530       217.4608 1515.597       282.6460 217.2216 17.21031 209.1652 23.44403 8.056458       29.08294 
1 1 1 -30 24 18 o 92.83455 28.00097 329.6803       165.1018 239.0276       187.3921 644.1774       349.0352 80.10593 29.82463 113.0321 40.93087 -32.92620      50.64430 
1 1 1 -30 24 19 f 177.5937 16.40811 1013.750       168.9664 1128.145       218.2438 842.5854       266.9594 182.8518 20.71584 144.9331 32.23948 37.91870       38.32140 
1 1 1 -30 24 20 o 63.48926 25.31876 117.1165       141.8970 120.7212       166.5267 107.5620       271.1152 65.75085 26.98580 71.82359 31.96267 -6.072739      41.83115 
1 1 1 -30 24 21 o 73.16923 26.93066 193.1483       152.0063 208.1457       179.3522 154.9054       286.4006 75.43890 28.92994 75.06366 33.15599 0.3752365      44.00297 
1 1 1 -30 24 22 o 45.63811 21.86088 -152.5853      167.1151 -193.2145      198.2340 -52.78355      310.6904 48.32247 23.31558 65.83765 31.03094 -17.51518      38.81412 
1 1 1 -30 24 23 o 68.45780 28.39244 141.0391       186.9394 -18.49989      227.5003 472.7038       328.0184 60.29928 27.78410 96.58019 38.50167 -36.28091      47.47984 
1 1 1 -30 24 24 o 75.23544 31.09785 204.8344       223.2168 288.4405       253.8253 -80.45963      468.8805 82.72504 33.55561 72.86668 35.32635 9.858353       48.72299 
1 1 1 -30 25 1  o 119.9314 22.47444 484.7182       152.2713 461.4338       172.1687 568.3503       326.2929 114.3115 26.23748 114.4690 39.75606 -0.1575165     47.63350 
1 1 1 -30 25 2  o 135.0033 20.92829 601.9026       160.3423 406.9613       183.6497 1227.017       328.8653 105.2726 28.88014 181.6642 32.03773 -76.39159      43.13327 
1 1 1 -30 25 3  o 227.4321 15.58766 1615.565       206.6566 1748.723       230.1439 1061.260       469.5600 235.5359 16.77035 145.0433 47.70290 90.49268       50.56493 
1 1 1 -30 25 4  o 109.4256 24.44986 415.8039       152.9503 228.9610       173.0333 1083.462       327.0909 81.07396 28.88504 167.3341 34.47744 -86.26010      44.97821 
1 1 1 -30 25 5  o 164.7644 17.70257 867.5194       168.3808 784.6949       182.2752 1349.492       439.7031 154.4227 20.64300 174.1741 43.24495 -19.75143      47.91930 
1 1 1 -30 25 6  o 163.7151 16.44573 848.0106       155.7672 784.7507       180.2516 1034.574       309.5483 154.5163 20.38790 164.3517 33.25781 -9.835464      39.00959 
1 1 1 -30 25 7  o 89.58105 26.71012 289.5262       150.8791 322.8999       175.7927 196.1761       294.0059 93.24094 29.04004 82.30704 34.95716 10.93391       45.44587 
1 1 1 -30 25 8  o 129.6313 36.99490 705.5399       295.0886 0.000000       0.000000 705.5399       295.0886 ?        ?        129.6313 36.99490 0.000000       36.99490 
1 1 1 -30 25 9  o 43.22898 20.61621 -145.3248      145.1832 -223.9034      166.4077 105.1216       297.0835 43.15063 20.94907 76.16380 33.69937 -33.01318      39.68011 
1 1 1 -30 25 10 f 47.72247 21.54709 -31.35461      128.1779 77.59258       143.5446 -460.0402      284.7398 60.43679 24.95528 51.61802 25.52647 8.818768       35.69827 
1 1 1 -30 25 11 o 92.73009 25.99033 312.0139       146.9914 371.7100       173.5612 160.5728       276.4402 99.59673 28.35533 77.94847 33.51959 21.64825       43.90430 
1 1 1 -30 25 12 o 55.71585 24.24925 25.71259       148.2025 26.09174       177.0663 24.82559       270.8280 59.49810 26.18369 68.87841 31.18835 -9.380306      40.72221 
1 1 1 -30 25 13 o 135.6951 21.83765 626.0713       167.8921 716.5218       212.9350 477.4377       272.9608 140.7089 26.78134 104.6236 36.36069 36.08532       45.15905 
1 1 1 -30 25 14 o 41.27793 19.79180 -149.7441      137.7256 -172.8431      161.3523 -87.73794      264.3600 44.30742 21.29077 61.96815 29.02240 -17.66074      35.99440 
1 1 1 -30 25 15 o 191.0800 15.89212 1161.720       176.4826 1171.750       223.1512 1144.969       288.3750 187.0020 20.69290 174.9394 29.13128 12.06261       35.73272 
1 1 1 -30 25 16 o 231.0622 15.40694 1690.491       207.5905 1514.562       238.0786 2248.460       423.9909 214.4610 19.12932 242.8451 30.43655 -28.38412      35.94878 
1 1 1 -30 25 17 o 251.7414 13.16536 1968.295       193.6983 1967.005       257.8899 1969.966       293.3931 245.7964 18.01504 241.9506 20.88041 3.845779       27.57776 
1 1 1 -30 25 18 o 86.48443 38.08059 294.3718       375.0022 0.000000       0.000000 294.3718       375.0022 ?        ?        86.48443 38.08059 0.000000       38.08059 
1 1 1 -30 25 19 o 64.50388 26.20118 118.1021       155.0071 126.8135       192.2268 101.9066       262.1006 68.01787 28.54343 70.74820 31.45887 -2.730331      42.47808 
1 1 1 -30 25 20 o 129.9689 22.98383 596.7839       168.7837 881.5631       216.8729 159.3417       268.7890 156.8411 24.36802 74.52672 32.54290 82.31435       40.65514 
1 1 1 -30 25 21 o 56.55166 25.28059 14.45330       171.6200 -36.82483      208.1448 123.3375       303.3066 57.38491 26.48945 73.75303 33.23672 -16.36812      42.50142 
1 1 1 -30 25 22 o 60.89427 27.03906 44.52097       192.9394 60.70462       214.2343 -24.95956      443.8971 63.94923 28.43826 73.98103 35.48794 -10.03179      45.47668 
1 1 1 -30 25 23 o 85.80890 28.08963 294.0429       162.8939 261.9479       176.5253 478.1076       422.7400 80.88486 29.13271 92.67114 40.63019 -11.78629      49.99527 
1 1 1 -30 26 1  o 191.3272 32.03661 1375.885       346.7813 0.000000       0.000000 1375.885       346.7813 ?        ?        191.3272 32.03661 0.000000       32.03661 
1 1 1 -30 26 2  o 156.9967 18.01365 792.8684       162.8596 739.0928       185.7005 972.0199       338.9461 148.4561 21.99297 152.5725 38.01851 -4.116425      43.92150 
1 1 1 -30 26 3  o 153.3681 18.57735 761.5078       163.6952 576.1999       186.1935 1392.298       343.5264 127.8300 25.72757 193.0204 31.42651 -65.19046      40.61444 
1 1 1 -30 26 4  o 310.0070 21.05344 3167.258       380.5052 0.000000       0.000000 3167.258       380.5052 ?        ?        310.0070 21.05344 0.000000       21.05344 
1 1 1 -30 26 5  o 186.7178 17.19964 1112.411       186.2305 1251.027       201.2645 287.1844       491.0760 197.7693 17.53384 93.08914 42.08908 104.6801       45.59525 
1 1 1 -30 26 6  o 74.96070 26.69429 192.2625       147.7648 91.94730       171.7964 477.4778       289.6790 64.96796 27.10378 105.2412 37.38640 -40.27322      46.17746 
1 1 1 -30 26 7  o 85.91787 26.78893 268.1827       149.5503 310.8185       173.9254 147.2449       292.9252 91.07455 28.95709 78.23312 34.07002 12.84144       44.71330 
1 1 1 -30 26 8  o 86.58641 27.15134 274.3799       153.3977 280.2390       181.1449 259.5274       288.4092 86.58597 29.64095 85.69818 35.37836 0.8877869      46.15424 
1 1 1 -30 26 9  o 82.18900 27.52101 245.9698       156.1128 403.9310       187.2127 -114.5777      282.8404 102.8235 29.50613 63.10925 29.70247 39.71426       41.86703 
1 1 1 -30 26 10 o 58.53495 24.92969 54.05266       150.2444 18.26941       177.9193 142.9933       280.5002 58.88665 26.06588 76.53973 33.33599 -17.65308      42.31688 
1 1 1 -30 26 11 o 63.92849 25.78791 108.3438       148.9789 43.29236       174.7688 281.2650       284.9442 60.37795 26.30497 86.31576 35.34880 -25.93781      44.06234 
1 1 1 -30 26 12 o 123.1513 37.37047 673.1688       293.4542 0.000000       0.000000 673.1688       293.4542 ?        ?        123.1513 37.37047 0.000000       37.37047 
1 1 1 -30 26 13 o 73.48748 27.67174 184.7043       162.2611 143.1430       193.8768 281.8888       296.4694 70.67232 29.07366 86.02219 35.72310 -15.34988      46.05885 
1 1 1 -30 26 14 o 75.20835 26.74601 201.5594       148.2907 182.0953       172.7377 256.0969       289.1455 73.40708 28.32885 83.68569 35.05540 -10.27861      45.07111 
1 1 1 -30 26 15 o 103.0895 26.34278 394.6357       159.8390 538.9967       194.2400 91.84381       281.3105 119.2789 28.21191 72.25210 32.32803 47.02678       42.90703 
1 1 1 -30 26 16 f 127.1774 46.50395 964.5471       452.0915 0.000000       0.000000 964.5471       452.0915 ?        ?        127.1774 46.50395 0.000000       46.50395 
1 1 1 -30 26 17 o 128.9310 22.35295 579.7512       162.8988 664.9519       206.8127 440.4955       264.4005 133.1201 27.40382 98.55923 35.63342 34.56082       44.95230 
1 1 1 -30 26 18 o 101.0134 27.02240 389.5768       163.2100 356.9217       208.0201 441.8676       263.2342 92.40601 31.75952 98.36241 35.55576 -5.956406      47.67472 
1 1 1 -30 26 19 o 144.7807 21.49379 723.8560       176.9736 531.0322       226.0121 1029.454       284.5290 111.9952 32.50592 160.5330 31.34628 -48.53782      45.15777 
1 1 1 -30 26 20 o 60.35698 26.04941 66.52796       168.1300 81.02524       200.8836 32.62196       307.2130 64.49936 28.14947 69.32826 32.06595 -4.828903      42.66870 
1 1 1 -30 26 21 o 140.1661 22.74056 695.5853       180.5362 742.6904       207.1843 546.9874       367.9841 141.4007 25.93919 99.52724 40.39120 41.87346       48.00303 
1 1 1 -30 27 1  o 97.06245 25.77177 339.5817       149.1481 423.8271       167.5326 17.69157       327.4764 108.0826 26.61030 73.30386 33.61380 34.77872       42.87185 
1 1 1 -30 27 2  o 208.5072 14.93515 1361.095       181.4242 1441.212       214.0452 1156.684       341.8972 212.2840 17.34348 169.4367 35.54253 42.84721       39.54830 
1 1 1 -30 27 3  o 161.9288 18.01570 847.3997       168.1971 591.6931       193.8109 1627.567       338.5330 128.2157 26.64520 212.6050 27.81699 -84.38934      38.51950 
1 1 1 -30 27 4  o 289.4915 13.99480 2601.283       236.8998 2358.688       267.1576 3493.957       512.4754 272.3349 16.80875 310.3376 28.47419 -38.00278      33.06529 
1 1 1 -30 27 5  o 102.4700 25.83930 379.8160       155.2293 237.7188       177.1113 850.6443       322.3925 81.00209 29.18024 139.9209 38.21582 -58.91884      48.08258 
1 1 1 -30 27 6  o 181.2631 16.16255 1043.834       170.0181 1058.766       200.9592 1006.234       318.9048 179.6289 19.38222 156.8645 35.49609 22.76443       40.44308 
1 1 1 -30 27 7  o 52.47083 23.52636 -14.34269      149.8289 -101.8653      175.0196 225.7560       289.8822 50.43324 23.61829 82.56853 34.87318 -32.13529      42.11843 
1 1 1 -30 27 8  o 79.92101 27.43001 232.0243       155.1549 417.6801       187.0714 -177.1528      277.7209 104.3166 29.34982 59.67422 28.47423 44.64235       40.89246 
1 1 1 -30 27 9  o 47.89394 22.10763 -64.20038      144.9621 -220.6893      165.3833 454.6765       301.1495 42.81464 20.80865 100.6909 37.74410 -57.87622      43.10009 
1 1 1 -30 27 10 o 59.06570 25.10431 59.86889       151.8163 78.17849       177.3611 9.682626       293.6373 63.51125 27.06880 69.30458 31.79841 -5.793331      41.75953 
1 1 1 -30 27 11 o 52.58688 23.59805 -12.32064      151.0883 23.63584       177.8260 -105.6532      286.4991 58.94990 26.07814 63.16168 29.77848 -4.211781      39.58317 
1 1 1 -30 27 12 o 61.83533 26.23873 75.42798       165.3865 98.16040       197.9583 22.88854       300.9494 66.83788 28.54524 70.14372 32.18656 -3.305840      43.02099 
1 1 1 -30 27 13 o 64.06821 26.58835 101.9170       164.0800 177.7170       197.6065 -66.37431      294.4403 73.73918 29.71596 65.14890 30.54957 8.590286       42.61824 
1 1 1 -30 27 14 o 55.59588 24.77702 8.612485       163.5261 151.4910       199.7200 -281.9942      284.8334 71.12143 29.40821 55.80772 27.16538 15.31371       40.03500 
1 1 1 -30 27 15 o 117.9084 26.10868 514.4568       175.7748 674.6969       217.2071 210.3876       299.2090 132.6737 28.74720 79.57740 34.54666 53.09632       44.94299 
1 1 1 -30 27 16 o 109.2246 25.55609 440.9463       160.7834 507.4612       195.8439 303.4257       281.6013 113.6677 29.21886 85.59425 35.10693 28.07349       45.67536 
1 1 1 -30 27 17 o 95.61346 28.38369 359.4735       170.6742 468.1555       211.5965 157.0959       288.7426 105.9770 31.63896 75.35523 33.28774 30.62177       45.92491 
1 1 1 -30 27 18 o 93.35413 27.90078 340.9863       164.4809 182.4644       194.9771 732.2099       306.3032 73.07185 29.49258 123.5305 38.31039 -50.45869      48.34768 
1 1 1 -30 27 19 o 93.18613 41.09451 468.7581       438.2843 0.000000       0.000000 468.7581       438.2843 ?        ?        93.18613 41.09451 0.000000       41.09451 
1 1 1 -30 28 1  o 196.5320 15.33254 1216.520       175.3274 1339.441       204.8831 880.2707       338.8620 204.4366 17.24900 140.3211 39.50908 64.11551       43.11027 
1 1 1 -30 28 2  o 153.8074 39.52425 1043.741       358.4317 0.000000       0.000000 1043.741       358.4317 ?        ?        153.8074 39.52425 0.000000       39.52425 
1 1 1 -30 28 3  o 237.9950 14.67166 1772.597       203.7892 1822.984       246.7160 1664.391       361.5466 237.8762 17.81400 211.0802 30.05364 26.79601       34.93652 
1 1 1 -30 28 4  o 103.5667 28.65501 406.6192       179.9330 532.8019       198.0692 -189.2925      430.4353 119.0729 28.70169 71.81286 34.57590 47.26009       44.93639 
1 1 1 -30 28 5  o 87.65090 40.55273 204.9561       491.8931 0.000000       0.000000 204.9561       491.8931 ?        ?        87.65090 40.55273 0.000000       40.55273 
1 1 1 -30 28 6  o 140.8519 21.72850 673.9898       173.7249 709.1312       208.5417 594.3030       314.0344 140.2742 26.31560 113.0515 39.01530 27.22274       47.06065 
1 1 1 -30 28 7  o 93.64604 26.70742 325.5040       153.8420 429.9884       177.5648 10.96618       308.0829 106.8516 28.00200 70.49084 32.42647 36.36076       42.84377 
1 1 1 -30 28 8  o 76.16468 27.07815 207.0452       151.9863 287.0826       176.1406 -26.22821      300.7085 86.64604 29.23476 67.99638 31.54535 18.64967       43.00907 
1 1 1 -30 28 9  o 43.72564 20.86640 -141.6749      149.2247 -25.04932      171.3122 -508.4927      303.8201 54.45032 24.71473 51.78701 25.74082 2.663315       35.68484 
1 1 1 -30 28 10 o 74.51657 27.08275 197.0613       152.9968 167.4486       178.2474 279.9362       298.1920 71.87286 28.46930 85.28638 35.65385 -13.41352      45.62563 
1 1 1 -30 28 11 o 47.63336 22.46710 -111.4283      163.4034 -51.72876      187.2026 -302.4629      334.8746 54.60247 25.17513 60.07835 29.29112 -5.475872      38.62327 
1 1 1 -30 28 12 o 62.29296 26.57398 78.58391       171.2141 43.88990       204.3120 160.4102       313.7712 62.74273 27.84414 77.41475 34.42197 -14.67202      44.27378 
1 1 1 -30 28 13 o 124.8761 25.42072 568.5100       179.8366 559.9967       223.8125 584.0210       302.1016 116.8909 31.80680 110.1451 38.25395 6.745705       49.74975 
1 1 1 -30 28 14 o 61.48711 30.62376 -564.1057      438.8834 0.000000       0.000000 -564.1057      438.8834 ?        ?        61.48711 30.62376 0.000000       30.62376 
1 1 1 -30 28 15 o 136.2666 37.47742 847.2234       308.8212 0.000000       0.000000 847.2234       308.8212 ?        ?        136.2666 37.47742 0.000000       37.47742 
1 1 1 -30 28 16 o 211.3522 17.87952 1466.007       219.5449 1230.026       246.4444 2373.420       483.2617 187.3944 22.89907 235.3744 36.16353 -47.98003      42.80384 
1 1 1 -30 28 17 o 71.23560 33.49955 10.13391       358.4696 0.000000       0.000000 10.13391       358.4696 ?        ?        71.23560 33.49955 0.000000       33.49955 
1 1 1 -30 29 1  o 86.40248 26.20051 274.6583       144.2806 348.2939       159.3962 -59.27969      339.4432 96.62395 27.05870 69.65484 32.70651 26.96912       42.44867 
1 1 1 -30 29 2  o 174.1603 16.84844 974.3358       169.9449 876.6271       196.3654 1265.916       339.2172 161.1084 21.30407 178.0852 33.71293 -16.97687      39.88013 
1 1 1 -30 29 3  f 113.7128 26.96817 478.2569       177.1096 342.7134       195.3298 1104.804       419.9582 93.06261 30.77408 146.8831 44.73283 -53.82044      54.29613 
1 1 1 -30 29 4  o 105.8773 45.01271 637.9867       488.3123 0.000000       0.000000 637.9867       488.3123 ?        ?        105.8773 45.01271 0.000000       45.01271 
1 1 1 -30 29 5  o 163.3626 19.08023 880.7518       179.3660 719.8790       220.1439 1198.446       309.3643 139.1320 27.95041 176.2666 31.06045 -37.13458      41.78489 
1 1 1 -30 29 6  o 150.3420 20.01254 755.9772       172.0761 898.5983       206.1592 428.3927       312.4442 161.7400 22.32882 96.83115 37.89379 64.90884       43.98313 
1 1 1 -30 29 7  o 44.11450 21.05183 -141.4924      151.8834 -112.6061      176.4875 -223.9705      298.2208 49.63406 23.39192 59.33115 28.61983 -9.697098      36.96318 
1 1 1 -30 29 8  o 67.42050 26.47531 141.5522       152.9617 161.8746       180.5775 89.93017       287.8020 71.21239 28.50707 72.33636 32.50603 -1.123962      43.23534 
1 1 1 -30 29 9  o 50.97316 23.09830 -25.00084      148.8872 11.54709       174.0414 -124.7388      287.5090 57.15953 25.51177 61.84699 29.35731 -4.687462      38.89347 
1 1 1 -30 29 10 o 47.70975 22.39541 -96.38381      158.9466 -176.3410      184.6328 132.5095       312.3897 47.47407 22.80271 75.77564 33.97352 -28.30157      40.91655 
1 1 1 -30 29 11 o 97.29377 29.41124 375.8142       182.0072 301.9108       211.8373 584.1973       355.7145 86.31351 31.78793 105.8772 40.70654 -19.56373      51.64780 
1 1 1 -30 29 12 o 98.69894 30.91699 398.9769       198.9510 434.9070       233.4586 303.6667       380.2339 100.1354 33.65645 86.60909 38.23175 13.52629       50.93549 
1 1 1 -30 29 13 f 74.13155 29.09789 193.3763       184.6971 250.1021       221.2492 62.96371       335.4679 80.58382 31.78114 72.95236 33.65896 7.631454       46.29219 
1 1 1 -30 29 14 o 110.3302 39.54996 621.5409       324.9036 0.000000       0.000000 621.5409       324.9036 ?        ?        110.3302 39.54996 0.000000       39.54996 
1 1 1 -30 29 15 o 107.7956 27.02679 445.2128       170.5249 0.000000       0.000000 445.2128       170.5249 ?        ?        107.7956 27.02679 0.000000       27.02679 
1 1 1 -30 30 1  o 103.1949 24.74977 384.8276       147.8571 451.4522       163.8597 92.83797       343.0350 111.2907 25.63385 76.07881 34.70291 35.21188       43.14378 
1 1 1 -30 30 2  o 82.72681 26.61407 254.0933       146.5906 243.8899       163.8116 295.1113       328.4425 80.81610 28.16295 86.85547 36.92058 -6.039368      46.43577 
1 1 1 -30 30 3  f 124.7457 27.10013 577.0936       192.5826 329.7302       211.2198 1796.137       468.8960 90.22375 31.93679 197.3547 41.81324 -107.1310      52.61469 
1 1 1 -30 30 4  o 168.1485 19.21117 936.7441       186.0553 790.5750       237.7100 1167.900       298.9317 144.2838 29.09717 174.4160 30.32395 -30.13219      42.02603 
1 1 1 -30 30 5  o 153.3323 33.22240 953.6067       290.1060 0.000000       0.000000 953.6067       290.1060 ?        ?        153.3323 33.22240 0.000000       33.22240 
1 1 1 -30 30 6  o 47.75769 22.67798 -132.7892      171.8822 -87.65337      221.7930 -200.6548      271.9645 56.79544 26.59448 57.37380 27.58801 -0.5783615     38.31926 
1 1 1 -30 30 7  o 88.33662 29.21333 305.7641       176.0184 435.5097       229.2000 119.2300       274.8195 101.0916 33.33162 73.11087 32.37716 27.98072       46.46803 
1 1 1 -30 30 8  o 41.60793 20.34542 -240.1143      165.0159 -170.8635      197.3552 -401.0276      300.8376 49.54829 23.73992 53.84665 26.55559 -4.298367      35.61998 
1 1 1 -30 30 9  o 80.71915 28.18783 247.5333       164.1491 279.7592       198.9667 178.8519       290.4670 84.08343 30.83393 77.33991 33.79932 6.743515       45.75068 
1 1 1 -30 30 10 o 71.20366 27.20600 174.3638       158.2285 250.7422       182.2879 -59.04535      318.6629 80.72430 29.52761 66.72114 31.44096 14.00316       43.13252 
1 1 1 -30 30 11 o 68.73989 33.15714 -149.0792      400.1851 0.000000       0.000000 -149.0792      400.1851 ?        ?        68.73989 33.15714 0.000000       33.15714 
1 1 1 -30 30 12 o 61.20210 30.43039 -510.2436      425.9691 0.000000       0.000000 -510.2436      425.9691 ?        ?        61.20210 30.43039 0.000000       30.43039 
1 1 1 -30 31 1  o 85.29974 26.86690 273.8011       150.0377 292.3144       172.3914 215.9782       304.6660 86.83488 28.91713 80.71960 34.95210 6.115280       45.36353 
1 1 1 -30 31 2  f 56.06659 24.42424 33.78128       150.6400 -33.18134      170.7995 268.2764       319.6225 53.56395 24.45369 84.36944 36.15757 -30.80548      43.65034 
1 1 1 -30 31 3  o 109.3493 35.30257 529.8805       257.7771 9.563529       437.7415 806.1044       318.9439 76.63742 36.33316 131.5172 38.73917 -54.87976      53.11140 
1 1 1 -30 31 4  o 187.9083 17.35701 1147.626       189.1201 1236.287       235.1383 985.2028       318.2592 190.3962 21.42959 150.6608 36.42422 39.73540       42.26051 
1 1 1 -30 31 5  o 127.2025 23.55518 573.3961       169.2545 652.4096       201.3793 383.2900       312.3650 132.5550 26.82601 91.92841 37.24793 40.62663       45.90254 
1 1 1 -30 31 6  f 120.5529 23.57718 517.3517       160.7196 600.7679       191.7586 320.4060       294.6478 127.1653 26.56970 87.04005 35.82802 40.12527       44.60489 
1 1 1 -30 31 7  o 82.42970 34.68707 262.6032       285.1110 0.000000       0.000000 262.6032       285.1110 ?        ?        82.42970 34.68707 0.000000       34.68707 
1 1 1 -30 31 8  o 87.59001 29.56989 307.4441       180.2022 0.000000       0.000000 307.4441       180.2022 ?        ?        87.59001 29.56989 0.000000       29.56989 
1 1 1 -29 0  1  o 294.7678 30.56484 2699.609       514.2194 2699.609       514.2194 2699.609       514.2194 294.7678 30.56484 294.7678 30.56484 -0.000000      0.000000 
1 1 1 -29 0  2  o 131.0032 56.67403 772.7118       448.7639 772.7118       448.7639 772.7118       448.7639 131.0032 56.67403 131.0032 56.67403 -0.000000      0.000000 
1 1 1 -29 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  6  o 400.6706 24.56420 4853.171       572.1956 4853.171       572.1956 4853.171       572.1956 400.6706 24.56420 400.6706 24.56420 0.000000       0.000000 
1 1 1 -29 0  7  o 45.28189 31.93089 -369.4127      337.3836 -369.4127      337.3836 -369.4127      337.3836 45.28189 31.93089 45.28189 31.93089 0.000000       0.000000 
1 1 1 -29 0  8  o 47.78678 33.02351 -223.7045      313.2491 -223.7045      313.2491 -223.7045      313.2491 47.78678 33.02351 47.78678 33.02351 0.000000       0.000000 
1 1 1 -29 0  9  o 48.17326 33.34433 -237.3220      322.5883 -237.3220      322.5883 -237.3220      322.5883 48.17326 33.34433 48.17326 33.34433 -0.000000      0.000000 
1 1 1 -29 0  10 o 116.9562 48.17545 595.2704       327.1264 595.2704       327.1264 595.2704       327.1264 116.9562 48.17545 116.9562 48.17545 -0.000000      0.000000 
1 1 1 -29 0  11 o 219.2395 26.19257 1502.370       324.0950 1502.370       324.0950 1502.370       324.0950 219.2395 26.19257 219.2395 26.19257 0.000000       0.000000 
1 1 1 -29 0  12 o 202.7368 27.97865 1304.938       314.6430 1304.938       314.6430 1304.938       314.6430 202.7368 27.97865 202.7368 27.97865 0.000000       0.000000 
1 1 1 -29 0  13 o 55.72109 36.15582 7.535985       281.3540 7.535985       281.3540 7.535985       281.3540 55.72109 36.15582 55.72109 36.15582 -0.000000      0.000000 
1 1 1 -29 0  14 o 298.7246 19.32591 2688.887       335.2865 2688.887       335.2865 2688.887       335.2865 298.7246 19.32591 298.7246 19.32591 0.000000       0.000000 
1 1 1 -29 0  15 o 243.8302 21.71030 1818.341       304.5334 1818.341       304.5334 1818.341       304.5334 243.8302 21.71030 243.8302 21.71030 -0.000000      0.000000 
1 1 1 -29 0  16 o 661.2656 18.36658 13047.27       711.0443 13047.27       711.0443 13047.27       711.0443 661.2656 18.36658 661.2656 18.36658 -0.000000      0.000000 
1 1 1 -29 0  17 o 246.6098 20.30188 1853.730       288.8926 1853.730       288.8926 1853.730       288.8926 246.6098 20.30188 246.6098 20.30188 0.000000       0.000000 
1 1 1 -29 0  18 o 217.9097 21.59900 1465.058       269.3543 1465.058       269.3543 1465.058       269.3543 217.9097 21.59900 217.9097 21.59900 0.000000       0.000000 
1 1 1 -29 0  19 o 42.79947 29.50161 -159.5649      246.1494 -159.5649      246.1494 -159.5649      246.1494 42.79947 29.50161 42.79947 29.50161 -0.000000      0.000000 
1 1 1 -29 0  20 o 65.48378 37.54625 186.4970       228.8680 186.4970       228.8680 186.4970       228.8680 65.48378 37.54625 65.48378 37.54625 -0.000000      0.000000 
1 1 1 -29 0  21 o 163.7243 25.28347 870.4509       225.5610 870.4509       225.5610 870.4509       225.5610 163.7243 25.28347 163.7243 25.28347 0.000000       0.000000 
1 1 1 -29 0  22 o 51.93377 33.05598 51.34652       221.1592 51.34652       221.1592 51.34652       221.1592 51.93377 33.05598 51.93377 33.05598 0.000000       0.000000 
1 1 1 -29 0  23 o 237.5816 18.78250 1733.915       257.8359 1733.915       257.8359 1733.915       257.8359 237.5816 18.78250 237.5816 18.78250 0.000000       0.000000 
1 1 1 -29 0  24 o 104.3066 37.83329 458.9224       212.5882 458.9224       212.5882 458.9224       212.5882 104.3066 37.83329 104.3066 37.83329 0.000000       0.000000 
1 1 1 -29 0  25 o 348.4935 14.78354 3655.874       300.9109 3655.874       300.9109 3655.874       300.9109 348.4935 14.78354 348.4935 14.78354 -0.000000      0.000000 
1 1 1 -29 0  26 o 40.59011 27.37441 -56.14039      188.5758 -56.14039      188.5758 -56.14039      188.5758 40.59011 27.37441 40.59011 27.37441 -0.000000      0.000000 
1 1 1 -29 0  27 o 54.53489 33.04065 116.3627       195.2756 116.3627       195.2756 116.3627       195.2756 54.53489 33.04065 54.53489 33.04065 -0.000000      0.000000 
1 1 1 -29 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  29 o 51.72435 31.29551 107.1090       174.6973 107.1090       174.6973 107.1090       174.6973 51.72435 31.29551 51.72435 31.29551 0.000000       0.000000 
1 1 1 -29 0  30 o 102.2720 35.75437 445.2342       194.0456 445.2342       194.0456 445.2342       194.0456 102.2720 35.75437 102.2720 35.75437 0.000000       0.000000 
1 1 1 -29 0  31 f 76.94812 36.79996 299.9246       190.6448 299.9246       190.6448 299.9246       190.6448 76.94812 36.79996 76.94812 36.79996 -0.000000      0.000000 
1 1 1 -29 0  32 o 58.02647 33.99117 164.5722       193.9722 164.5722       193.9722 164.5722       193.9722 58.02647 33.99117 58.02647 33.99117 0.000000       0.000000 
1 1 1 -29 0  33 o 35.99712 25.15080 -141.9237      195.3342 -141.9237      195.3342 -141.9237      195.3342 35.99712 25.15080 35.99712 25.15080 0.000000       0.000000 
1 1 1 -29 0  34 o 288.4002 14.59496 2546.666       245.4090 2546.666       245.4090 2546.666       245.4090 288.4002 14.59496 288.4002 14.59496 0.000000       0.000000 
1 1 1 -29 0  35 o 34.26300 23.80697 -107.6031      168.5402 -107.6031      168.5402 -107.6031      168.5402 34.26300 23.80697 34.26300 23.80697 0.000000       0.000000 
1 1 1 -29 0  36 o 186.5587 19.84989 1127.399       210.9991 1127.399       210.9991 1127.399       210.9991 186.5587 19.84989 186.5587 19.84989 0.000000       0.000000 
1 1 1 -29 0  37 o 42.48192 28.56146 -17.88469      202.3036 -17.88469      202.3036 -17.88469      202.3036 42.48192 28.56146 42.48192 28.56146 0.000000       0.000000 
1 1 1 -29 1  1  f 229.2795 26.79107 1629.394       353.4685 1196.438       500.8020 2059.176       498.9630 186.6470 46.04062 253.9736 34.38093 -67.32664      57.46117 
1 1 1 -29 1  2  o 142.3969 38.88682 673.3491       333.8393 431.5721       460.7031 940.6714       484.4303 123.3221 46.58536 164.9365 47.50520 -41.61436      66.53525 
1 1 1 -29 1  3  o 463.5853 17.39057 6431.529       471.9796 6502.278       668.2733 6361.116       666.6893 461.3874 24.78764 456.1711 25.01559 5.216248       35.21657 
1 1 1 -29 1  4  o 411.1238 17.93123 5067.791       431.3079 5148.153       595.3022 4978.995       625.7598 410.2680 24.85775 402.1967 26.67968 8.071320       36.46523 
1 1 1 -29 1  5  o 242.9667 24.14450 1812.335       339.4978 2392.768       486.6248 1261.921       473.8738 275.9839 30.57730 193.1092 42.95131 82.87462       52.72368 
1 1 1 -29 1  6  o 278.1579 18.02134 2326.903       292.4052 2137.713       452.0797 2462.978       383.4020 260.8397 30.10395 283.9134 23.22886 -23.07370      38.02404 
1 1 1 -29 1  7  o 45.90414 22.85264 -590.2069      243.3016 -574.4821      339.0499 -606.9009      349.3416 60.03824 29.31559 60.46051 29.57215 -0.4222679     41.64032 
1 1 1 -29 1  8  o 61.88511 28.26653 -125.9623      228.5807 -385.1081      315.2884 161.1630       331.8727 62.94261 30.11685 94.13908 38.30132 -31.19648      48.72387 
1 1 1 -29 1  9  o 101.3725 32.95020 320.6908       224.3425 183.8260       308.6986 473.8834       326.5937 93.66147 37.34649 120.9900 39.78308 -27.32851      54.56605 
1 1 1 -29 1  10 o 106.8188 32.04618 366.5603       216.6772 285.8141       297.6352 457.6064       316.0486 101.4484 37.62217 118.9587 39.13658 -17.51025      54.28719 
1 1 1 -29 1  11 o 92.33633 32.63621 247.3996       220.5058 355.6322       304.1586 127.4950       320.1394 108.2588 38.32394 90.19160 37.25745 18.06720       53.44944 
1 1 1 -29 1  12 o 175.8348 21.35682 950.7161       215.7274 802.6940       295.5418 1119.529       315.6158 156.4318 33.24006 187.2649 29.73003 -30.83315      44.59569 
1 1 1 -29 1  13 o 73.45955 29.78988 89.07188       199.9945 -263.5258      282.3333 444.1866       283.3392 62.83422 29.60477 116.4371 36.95228 -53.60291      47.34885 
1 1 1 -29 1  14 o 54.14383 25.15648 -149.1518      192.3401 -263.4383      271.9221 -34.71723      272.0981 61.25117 28.91827 73.34096 32.35963 -12.08979      43.39829 
1 1 1 -29 1  15 o 123.4230 27.80974 492.7721       196.4585 530.2210       276.2906 454.4744       279.4041 125.6877 35.77351 117.0816 36.63339 8.606018       51.20302 
1 1 1 -29 1  16 o 105.7629 30.14630 365.5425       196.0642 353.1531       272.3499 378.8709       282.4809 105.5987 36.33826 108.6213 37.01870 -3.022598      51.87344 
1 1 1 -29 1  17 o 281.8176 16.34716 2396.519       269.0251 2307.728       300.9762 2749.375       599.9906 275.3108 18.75248 286.8704 36.48663 -11.55960      41.02353 
1 1 1 -29 1  18 o 262.2026 13.29714 2057.991       203.8100 2257.760       293.2029 1871.221       283.5034 272.1326 18.48083 246.9723 19.73722 25.16025       27.03884 
1 1 1 -29 1  19 o 161.9351 20.81829 817.3412       193.1449 925.5992       288.0098 728.8630       260.3726 167.2763 30.48038 147.7078 31.04432 19.56848       43.50636 
1 1 1 -29 1  20 o 380.6302 11.16912 4318.269       249.0593 4162.879       346.9179 4483.541       357.7793 370.5761 16.00013 384.6904 15.89240 -14.11429      22.55155 
1 1 1 -29 1  21 o 88.54990 26.58951 258.2401       149.1196 211.4324       215.2104 301.4666       206.8141 85.12666 31.90781 95.19714 31.67210 -10.07049      44.95809 
1 1 1 -29 1  22 o 183.9483 15.35800 1034.609       164.1736 1036.011       223.9473 1032.979       241.3851 180.5955 21.57004 179.0491 23.55829 1.546463       31.94151 
1 1 1 -29 1  23 o 208.0311 13.46846 1312.945       163.4391 1314.001       223.1687 1311.724       240.0265 204.9499 18.77509 203.6660 20.36804 1.283829       27.70129 
1 1 1 -29 1  24 o 122.4629 21.28488 486.2540       147.3257 386.8854       206.2463 589.7827       210.5194 104.1756 31.26808 130.7680 28.27464 -26.59239      42.15623 
1 1 1 -29 1  25 o 180.1756 14.80256 998.4597       155.0386 953.6913       218.7828 1043.619       219.7357 171.1814 22.32377 179.9807 21.22503 -8.799271      30.80345 
1 1 1 -29 1  26 o 43.72410 20.50917 -108.8262      132.8723 -152.3011      194.4415 -70.73904      181.9950 52.14037 24.56691 54.94674 25.14456 -2.806362      35.15369 
1 1 1 -29 1  27 o 71.08221 25.35059 159.4565       133.3108 90.05046       185.9693 232.8212       191.1993 67.68772 28.21604 83.11638 30.26572 -15.42866      41.37824 
1 1 1 -29 1  28 o 134.0442 18.34699 577.1694       140.4516 657.4523       193.1844 487.1529       204.5606 138.6772 24.65645 114.8976 30.02845 23.77956       38.85419 
1 1 1 -29 1  29 o 155.2028 16.17199 760.7431       145.0452 909.6849       198.5473 590.2886       212.4026 166.1409 20.83370 126.7499 29.17796 39.39092       35.85242 
1 1 1 -29 1  30 o 90.39417 24.37542 288.3434       132.1558 411.7466       181.0411 147.5759       193.3594 105.2430 28.59382 72.28794 29.30002 32.95507       40.94017 
1 1 1 -29 1  31 o 136.7247 17.16430 601.7036       134.6080 557.0617       183.9058 653.2180       197.5553 124.7192 25.98701 135.5096 25.80019 -10.79041      36.61932 
1 1 1 -29 1  32 o 112.8782 21.57547 436.4872       137.6256 388.3163       184.1586 497.4208       207.1231 100.0934 29.42435 112.5524 30.58614 -12.45899      42.44177 
1 1 1 -29 1  33 o 161.2700 15.93104 832.3015       148.7113 875.8053       201.2743 780.0035       220.6821 159.6721 22.08420 145.7848 26.79820 13.88736       34.72543 
1 1 1 -29 1  34 o 97.36183 24.12818 344.5620       137.0689 209.7658       195.5497 474.7576       192.1836 76.26102 29.93852 109.7652 29.30482 -33.50414      41.89377 
1 1 1 -29 1  35 o 51.75940 22.74643 17.35784       133.2022 134.0595       191.0461 -93.04115      185.8156 68.22488 28.53100 51.47343 24.17864 16.75145       37.39819 
1 1 1 -29 1  36 o 55.24866 24.12611 37.93839       147.7473 192.3194       196.6760 -162.0375      223.8428 73.35635 29.61602 52.58886 25.21955 20.76749       38.89903 
1 1 1 -29 1  37 f 97.56802 26.82725 371.4547       158.2644 569.9506       205.2654 80.46953       248.5280 118.6475 29.59823 67.12988 30.18322 51.51764       42.27390 
1 1 1 -29 2  1  o 86.55648 36.56568 67.06090       318.8187 0.7584746      436.7443 142.6986       466.4786 94.80184 41.43752 105.1194 44.30939 -10.31757      60.66622 
1 1 1 -29 2  2  o 268.4727 23.14302 2199.745       360.8400 2430.760       498.4924 1945.458       522.9989 278.1043 31.09490 244.7440 37.64063 33.36028       48.82326 
1 1 1 -29 2  3  o 350.9394 27.74645 3809.059       566.4273 0.000000       0.000000 3809.059       566.4273 ?        ?        350.9394 27.74645 0.000000       27.74645 
1 1 1 -29 2  4  f 298.4623 21.13833 2699.843       367.6136 2496.768       492.2046 2956.023       552.8289 282.2642 30.20193 306.7298 31.16371 -24.46564      43.39739 
1 1 1 -29 2  5  o 118.6817 36.10639 456.0839       273.6993 238.3250       413.4295 625.9844       365.1833 106.5902 42.97251 136.9630 41.71411 -30.37280      59.88910 
1 1 1 -29 2  6  o 383.1123 14.69309 4372.309       329.5216 4623.800       533.1915 4216.892       419.1510 389.3547 23.45884 374.1892 19.16362 15.16544       30.29128 
1 1 1 -29 2  7  o 200.8293 23.35316 1241.072       269.9330 1345.693       400.7797 1154.210       365.1844 203.8047 34.77757 188.6958 34.26036 15.10898       48.81856 
1 1 1 -29 2  8  f 55.72757 26.38633 -246.3168      229.4644 -67.04063      320.7122 -434.3477      328.4496 78.14630 34.77073 62.98246 30.29338 15.16385       46.11607 
1 1 1 -29 2  9  o 121.8661 31.25564 482.7812       224.4465 667.1839       310.2134 280.2017       325.1433 141.4857 36.97949 102.8917 39.07458 38.59407       53.79875 
1 1 1 -29 2  10 o 69.46989 29.68716 18.52300       214.3445 -14.05062      291.9093 56.63467       315.7504 77.55667 33.88882 84.93282 36.15517 -7.376144      49.55450 
1 1 1 -29 2  11 o 273.1034 14.83559 2229.670       236.7275 2185.346       314.3219 2287.762       359.8428 268.2350 20.12740 273.2405 22.65879 -5.005554      30.30731 
1 1 1 -29 2  12 o 114.6740 30.12573 427.5232       205.1923 507.1426       276.6756 330.2016       305.8904 123.6314 35.98897 105.7223 38.31295 17.90910       52.56509 
1 1 1 -29 2  13 o 153.7882 23.90826 739.7352       208.6336 624.2437       288.5083 866.3339       302.0632 136.6116 35.64112 162.6802 32.79393 -26.06856      48.43275 
1 1 1 -29 2  14 o 349.6347 12.45047 3635.049       254.8925 3445.465       359.7489 3826.166       361.2003 337.7151 18.23104 356.4281 17.33123 -18.71298      25.15437 
1 1 1 -29 2  15 o 207.3337 16.54184 1297.862       199.4758 1043.802       274.0960 1583.934       290.8519 181.6953 26.50229 226.7179 22.15686 -45.02263      34.54414 
1 1 1 -29 2  16 o 251.7714 14.84846 1902.415       218.2760 1873.309       306.7917 1932.252       310.6216 246.8256 21.40490 250.7459 21.32471 -3.920288      30.21445 
1 1 1 -29 2  17 o 416.0949 12.91585 5164.286       314.8036 5507.055       408.5597 4663.416       493.8750 427.5524 16.32353 389.4135 21.71092 38.13885       27.16287 
1 1 1 -29 2  18 o 122.6294 26.70944 489.3062       186.6412 652.6014       236.2927 218.4221       304.3375 140.7324 29.57034 93.92162 37.20094 46.81082       47.52172 
1 1 1 -29 2  19 o 97.15859 27.99947 309.9913       168.2418 457.4759       234.0073 152.1862       242.0565 116.0163 32.88974 82.63830 33.03061 33.37800       46.61283 
1 1 1 -29 2  20 o 42.27132 20.51501 -247.8156      159.2158 -238.8176      215.5547 -258.6186      236.1874 52.69530 25.12793 55.06443 26.27026 -2.369129      36.35298 
1 1 1 -29 2  21 o 92.72670 27.16723 285.9474       157.2149 201.7428       212.3602 388.0675       233.8627 83.85427 31.63891 105.8774 33.56772 -22.02311      46.12822 
1 1 1 -29 2  22 o 60.28691 25.18888 46.71454       148.7103 27.58903       205.1285 67.90159       215.9010 66.47937 28.73276 71.03763 30.05403 -4.558258      41.57903 
1 1 1 -29 2  23 o 145.8227 17.89353 665.5605       149.8245 669.1017       208.9036 661.8099       214.9955 141.4693 26.14142 140.0139 27.16248 1.455353       37.69846 
1 1 1 -29 2  24 o 206.0413 13.27956 1289.857       159.6136 1273.305       222.7471 1307.325       228.8311 201.0302 19.12302 203.5092 19.40730 -2.478989      27.24579 
1 1 1 -29 2  25 o 138.7175 19.03189 612.9405       150.7555 636.6133       206.7328 586.0547       220.3157 136.4417 26.79182 128.6204 29.79272 7.821289       40.06754 
1 1 1 -29 2  26 o 148.9466 17.30073 698.1987       148.3196 644.6793       204.4855 757.6144       215.4554 137.2095 26.36920 149.7086 25.44916 -12.49901      36.64689 
1 1 1 -29 2  27 o 201.6781 13.06478 1242.663       153.6979 1247.506       219.8221 1238.030       214.9821 197.5817 19.21262 197.1465 18.82176 0.4351959      26.89579 
1 1 1 -29 2  28 o 233.1913 11.89919 1652.999       162.1967 1752.174       231.4585 1557.306       227.3580 236.0094 16.83270 221.7204 17.62959 14.28899       24.37503 
1 1 1 -29 2  29 o 112.3792 22.25142 427.9815       141.4635 496.1122       194.5287 351.5112       206.0909 116.2175 28.71054 95.94234 31.60540 20.27515       42.69891 
1 1 1 -29 2  30 o 116.3934 20.80413 453.1291       136.8005 516.7975       192.4434 388.0904       194.5032 118.7345 28.07979 100.7633 30.39201 17.97122       41.37812 
1 1 1 -29 2  31 o 106.0508 22.32485 387.2225       134.4532 218.4794       178.0348 611.2143       205.1200 78.66802 29.11150 128.9621 27.93020 -50.29406      40.34322 
1 1 1 -29 2  32 o 61.33836 24.88153 94.84870       139.5656 20.54956       174.5769 226.4335       232.3259 58.35353 25.82537 80.13367 32.24618 -21.78014      41.31303 
1 1 1 -29 2  33 o 121.6566 21.31878 507.4353       146.5655 376.9125       198.3211 664.5135       217.5623 96.51562 30.94675 131.9801 28.90933 -35.46453      42.34916 
1 1 1 -29 2  34 o 146.6756 16.79422 698.7455       141.8649 710.3455       196.6366 686.1536       204.8713 140.4704 24.77381 136.0723 26.62593 4.398102       36.36869 
1 1 1 -29 2  35 o 74.23970 25.82772 202.6770       137.7414 127.1913       190.6611 285.0849       199.2115 67.54889 28.39178 83.84026 30.83480 -16.29137      41.91513 
1 1 1 -29 2  36 o 51.09238 22.91875 -2.458054      142.3673 26.35609       190.5806 -38.83983      214.1498 59.08850 26.51042 57.48281 26.65157 1.605682       37.59134 
1 1 1 -29 2  37 o 161.6692 17.42548 863.8963       162.6134 803.0938       211.1459 952.5322       254.9335 147.2263 25.36947 155.8085 28.96464 -8.582184      38.50403 
1 1 1 -29 3  1  o 183.7396 31.33668 1075.571       325.5773 1297.644       449.8882 831.3791       471.7619 197.6467 40.18258 155.4989 47.42253 42.14781       62.15735 
1 1 1 -29 3  2  f 112.0567 39.43877 377.6819       321.7479 -24.29569      426.0302 911.3231       490.8675 92.38532 40.63713 162.0745 48.14127 -69.68922      62.99967 
1 1 1 -29 3  3  o 277.8593 22.26265 2349.929       359.7546 2945.269       508.4260 1752.976       509.1143 307.8362 28.48458 231.1546 38.93684 76.68169       48.24364 
1 1 1 -29 3  4  o 274.0215 34.02179 2395.646       535.0159 0.000000       0.000000 2395.646       535.0159 ?        ?        274.0215 34.02179 0.000000       34.02179 
1 1 1 -29 3  5  o 162.6415 29.32236 840.6959       269.4052 448.3356       402.3738 1159.498       362.7004 121.5706 43.95761 189.4944 33.88000 -67.92383      55.49889 
1 1 1 -29 3  6  o 195.8592 23.83883 1182.958       268.1956 1376.405       400.9738 1026.355       360.7748 206.4840 34.31549 176.9216 35.99635 29.56242       49.73218 
1 1 1 -29 3  7  o 141.0834 31.50353 644.7455       254.0693 353.7519       372.7267 897.3069       347.2420 112.1642 42.00190 164.6463 36.87868 -52.48209      55.89452 
1 1 1 -29 3  8  f 247.2080 18.22437 1843.012       262.3625 1437.940       373.1810 2238.905       368.9286 212.7179 30.80930 270.2170 23.51370 -57.49904      38.75702 
1 1 1 -29 3  9  f 177.6044 21.93141 969.7670       223.5915 1008.927       292.2760 914.5144       347.1762 178.3215 28.93835 166.0551 36.63349 12.26639       46.68448 
1 1 1 -29 3  10 o 435.5342 12.17823 5627.722       310.7638 5604.285       430.7431 5653.163       448.7847 432.2441 17.02507 433.7484 17.67912 -1.504303      24.54393 
1 1 1 -29 3  11 o 286.3731 14.15139 2447.136       236.9379 2595.141       322.0695 2272.538       349.8083 292.9998 18.84257 272.5858 22.07006 20.41403       29.01947 
1 1 1 -29 3  12 o 93.44225 31.46448 265.9810       204.0352 -25.75759      264.9509 691.1053       319.8352 73.13423 32.11210 143.1634 37.61211 -70.02913      49.45562 
1 1 1 -29 3  13 o 173.5564 20.87746 925.8598       208.2428 1132.641       274.7145 646.5374       319.2852 190.3200 25.23311 138.1528 38.15055 52.16718       45.74030 
1 1 1 -29 3  14 o 98.46841 30.46086 309.5006       193.7838 277.9050       256.8870 351.2211       295.1916 97.47904 35.13934 106.8152 37.76020 -9.336197      51.58106 
1 1 1 -29 3  15 o 67.40031 28.29539 42.36054       189.0153 43.81164       257.4501 40.66375       278.3925 76.63006 32.63483 78.91032 33.77991 -2.280266      46.96930 
1 1 1 -29 3  16 o 265.3755 14.99381 2114.349       232.4091 2511.639       303.6531 1552.461       361.1180 287.8229 18.08012 220.4858 28.59983 67.33713       33.83550 
1 1 1 -29 3  17 o 314.2694 12.69475 2946.818       233.4973 2908.620       322.1048 2989.121       338.9706 309.6654 17.81107 313.5155 18.51787 -3.850159      25.69330 
1 1 1 -29 3  18 o 113.0632 27.81923 420.1526       183.1859 165.4827       252.7777 701.8312       265.8440 85.15084 33.84671 144.6577 32.16735 -59.50689      46.69409 
1 1 1 -29 3  19 o 102.8431 28.03864 349.7765       173.7262 477.8846       238.0942 203.9186       254.0537 118.3300 33.04641 88.27934 34.27732 30.05064       47.61302 
1 1 1 -29 3  20 o 165.1687 17.53596 839.6956       167.2738 940.3704       235.6520 737.4528       237.4803 171.5020 24.09224 149.3402 28.14653 22.16183       37.04947 
1 1 1 -29 3  21 o 64.41496 26.05340 77.94633       152.5133 180.9198       204.1968 -51.97285      229.3628 80.96067 30.91308 64.50499 29.00013 16.45568       42.38662 
1 1 1 -29 3  22 o 265.7209 11.97797 2121.457       186.1835 2267.456       261.8228 1972.108       264.8092 271.8430 16.50019 252.3930 18.00810 19.44995       24.42433 
1 1 1 -29 3  23 o 63.28995 25.26219 86.29333       141.3914 53.31908       197.1184 121.2382       202.9231 67.09222 28.56392 73.80222 29.97840 -6.709999      41.40776 
1 1 1 -29 3  24 o 211.5283 13.62553 1362.083       168.1342 1404.513       234.9214 1317.524       240.7408 211.0961 19.18479 203.4601 20.45245 7.635971       28.04209 
1 1 1 -29 3  25 o 157.0183 16.37350 768.0847       148.5666 775.0051       205.6182 760.5255       214.8988 153.1144 23.65976 150.5306 25.23438 2.583801       34.59130 
1 1 1 -29 3  26 o 75.67121 26.26105 186.0231       142.3592 382.6687       201.3927 -10.36326      201.2600 102.5708 30.92304 61.75811 27.50763 40.81266       41.38725 
1 1 1 -29 3  27 o 53.67025 23.27484 12.77830       135.5148 146.4321       190.1514 -125.1644      193.1782 73.44245 29.30223 53.08245 24.84418 20.36000       38.41684 
1 1 1 -29 3  28 o 226.1298 11.94884 1555.623       157.9028 1410.815       224.0626 1698.497       222.5614 210.2522 18.35482 232.6619 16.41615 -22.40973      24.62497 
1 1 1 -29 3  29 o 188.3393 14.02121 1098.865       153.7623 1051.286       215.3236 1148.374       219.6462 178.5260 20.96455 187.2569 20.32589 -8.730835      29.20024 
1 1 1 -29 3  30 o 111.2067 21.51022 418.1405       135.2161 426.8388       179.3373 406.6814       205.8391 107.4650 28.13106 102.3254 31.34767 5.139618       42.11927 
1 1 1 -29 3  31 o 60.98912 24.54803 92.98160       134.6738 120.1084       170.4432 47.90141       219.7220 67.28522 27.42118 65.72461 29.03550 1.560616       39.93722 
1 1 1 -29 3  32 o 113.7381 21.83003 444.9587       140.3228 284.4094       180.9521 687.1442       222.2458 86.09465 29.62008 134.9661 28.94580 -48.87141      41.41508 
1 1 1 -29 3  33 o 71.03796 25.32367 176.1089       133.0136 41.64568       185.7810 317.5318       190.5282 60.80930 26.78825 89.26028 30.40264 -28.45098      40.52074 
1 1 1 -29 3  34 o 40.41619 19.31940 -129.6475      129.0569 158.8334       185.0830 -402.6494      180.0490 70.64561 28.65450 38.39342 19.19787 32.25219       34.49113 
1 1 1 -29 3  35 o 237.4194 14.84544 1791.501       205.6747 1391.849       419.3692 1918.073       236.0073 166.3779 42.75103 243.3126 16.63919 -76.93471      45.87497 
1 1 1 -29 3  36 o 47.28773 22.02016 -67.84795      148.6640 -32.29126      203.5516 -108.4970      217.6402 56.70176 26.18173 54.26305 25.69426 2.438705       36.68349 
1 1 1 -29 3  37 o 107.4758 24.70587 430.4504       152.4626 428.8615       210.8475 432.1917       220.7204 99.12603 31.92115 98.48959 32.71820 0.6364441      45.71040 
1 1 1 -29 4  1  o 110.4385 38.73438 366.9952       310.1710 325.5511       417.8192 417.8736       462.9387 113.0712 43.94284 122.2047 46.57368 -9.133568      64.03188 
1 1 1 -29 4  2  o 187.3959 30.43631 1114.327       323.0380 1162.861       438.3461 1056.637       477.9020 186.1255 41.24253 174.9153 45.98698 11.21014       61.77174 
1 1 1 -29 4  3  o 195.4010 29.24970 1203.581       324.9022 870.9932       436.1564 1618.226       486.9986 159.3468 44.80866 221.8305 38.84793 -62.48366      59.30412 
1 1 1 -29 4  4  o 204.0080 23.26442 1278.609       273.3804 824.4219       417.0697 1620.756       361.9908 155.3481 43.86385 227.9872 27.63660 -72.63911      51.84418 
1 1 1 -29 4  5  o 316.3083 16.38148 2994.359       302.8530 2880.001       462.1218 3080.449       400.9586 305.5455 26.03653 318.4934 21.59355 -12.94791      33.82576 
1 1 1 -29 4  6  o 93.89817 34.59436 238.5889       250.9327 158.1929       375.9353 303.1920       336.9946 97.95286 40.40989 105.8731 39.87604 -7.920235      56.77198 
1 1 1 -29 4  7  o 346.9950 15.11159 3593.292       306.7901 3596.337       469.8023 3591.028       405.0883 342.9636 23.49897 344.5801 20.13284 -1.616516      30.94402 
1 1 1 -29 4  8  o 84.70431 32.72963 165.6370       230.7852 426.8690       327.9940 -90.51386      324.7885 116.4055 39.88416 77.28402 34.64615 39.12153       52.83088 
1 1 1 -29 4  9  o 358.7558 14.20479 3835.358       298.2805 3896.159       438.6025 3783.041       406.8494 358.2593 20.96648 353.7132 19.69016 4.546051       28.76274 
1 1 1 -29 4  10 o 196.5498 19.42522 1175.068       220.9933 1203.776       291.0569 1135.989       339.5895 196.3096 25.91270 187.7251 31.99073 8.584549       41.16886 
1 1 1 -29 4  11 f 268.1852 14.59827 2149.628       228.7421 2159.373       302.9671 2136.708       348.8425 266.8447 19.49363 263.8678 22.76437 2.976837       29.97029 
1 1 1 -29 4  12 o 88.05838 30.80414 226.3049       196.0856 204.1634       254.9147 258.3920       306.8710 90.25980 34.52080 99.19453 37.89108 -8.934731      51.25837 
1 1 1 -29 4  13 o 200.7738 17.96598 1221.947       209.3143 1479.064       273.5629 858.8442       325.0917 219.5519 21.52183 160.5204 35.47761 59.03143       41.49518 
1 1 1 -29 4  14 o 116.0266 28.64913 437.4912       193.7689 521.7659       250.3316 311.5251       306.0510 125.3405 33.43769 103.5082 38.19298 21.83230       50.76202 
1 1 1 -29 4  15 o 75.30432 29.72426 118.4354       193.6854 139.4870       253.3205 88.80997       300.5104 83.75137 33.68224 84.66140 35.61798 -0.9100266     49.02177 
1 1 1 -29 4  16 o 355.3348 12.12356 3757.982       252.2794 3816.808       343.0345 3688.684       372.3154 355.8977 16.47945 348.7946 18.26445 7.103119       24.60005 
1 1 1 -29 4  17 o 160.2937 20.44408 795.9131       187.8237 596.1996       248.0502 1064.299       287.5517 133.4717 32.08595 181.9734 27.82640 -48.50177      42.47137 
1 1 1 -29 4  18 o 193.8242 18.07315 1149.144       203.0755 980.8614       298.5548 1294.042       277.0353 172.5070 30.63188 202.8766 23.73162 -30.36957      38.74922 
1 1 1 -29 4  19 o 98.20255 28.13996 318.4639       170.3944 441.2943       238.3594 190.0923       243.6767 113.6091 33.49622 86.02913 33.52307 27.58002       47.38980 
1 1 1 -29 4  20 o 82.86475 28.03713 215.7711       162.0071 284.9962       216.5645 127.8020       244.1298 93.82021 32.39867 79.89919 32.72002 13.92101       46.04643 
1 1 1 -29 4  21 o 39.99721 19.50621 -248.8192      148.8129 -437.2499      191.2308 40.48150       236.9500 40.94290 20.36256 71.70345 30.93537 -30.76056      37.03553 
1 1 1 -29 4  22 o 67.66806 26.08434 115.7096       146.3299 234.8092       196.2847 -33.29310      219.5474 85.85065 30.74462 63.86906 28.56962 21.98160       41.96968 
1 1 1 -29 4  23 o 66.24572 25.96869 105.9919       146.9454 175.3326       195.2663 15.44562       223.1354 78.52889 30.16800 67.28781 29.50945 11.24108       42.20090 
1 1 1 -29 4  24 f 118.1321 22.07707 457.2242       147.3311 581.9953       206.2155 327.1304       210.5680 129.9173 27.89814 96.21160 31.95674 33.70567       42.42098 
1 1 1 -29 4  25 o 49.42999 22.17490 -34.13734      133.3065 -132.6724      183.9904 74.74532       193.4100 51.64240 24.19468 67.72884 28.53897 -16.08645      37.41463 
1 1 1 -29 4  26 o 57.45385 23.97816 49.31452       134.5334 199.5369       178.7866 -146.7787      204.2673 79.03671 29.18639 53.85715 25.31480 25.17955       38.63528 
1 1 1 -29 4  27 o 166.0288 15.13140 856.2740       145.7201 862.8085       196.1764 848.2307       217.6511 162.5790 21.06968 158.7899 24.12992 3.789063       32.03411 
1 1 1 -29 4  28 o 162.6987 14.78879 823.8383       139.5728 840.3928       189.1483 804.0494       206.8026 160.1707 20.61317 154.2238 23.61465 5.946930       31.34572 
1 1 1 -29 4  29 o 154.2673 15.69507 749.2576       140.0247 721.5516       189.3456 782.6978       208.0185 146.0755 22.85005 150.9562 24.32270 -4.880707      33.37242 
1 1 1 -29 4  30 o 37.06357 18.09200 -203.0131      128.8525 -257.9660      169.5371 -127.8574      198.2671 42.21821 20.63923 52.74472 24.83801 -10.52651      32.29403 
1 1 1 -29 4  31 o 61.90471 24.79425 99.50842       136.6776 153.1577       177.5447 21.46287       214.1409 71.14005 28.33716 63.25857 28.26180 7.881474       40.02155 
1 1 1 -29 4  32 o 37.26448 18.32173 -240.3907      139.6139 -185.5161      185.8088 -311.5426      211.5796 47.51427 22.83579 46.27071 22.71056 1.243557       32.20626 
1 1 1 -29 4  33 o 51.41133 22.82842 2.043787       137.5288 -46.23032      194.3109 50.50145       194.6799 55.74741 25.68342 62.32848 27.44124 -6.581062      37.58537 
1 1 1 -29 4  34 o 36.14281 17.84237 -250.3144      136.9812 -182.7706      200.5167 -309.4189      187.5719 49.27602 23.69278 42.46560 20.94771 6.810421       31.62522 
1 1 1 -29 4  35 o 41.36345 19.81480 -137.3310      137.3544 -88.02291      187.3028 -194.6973      202.0289 51.85252 24.33089 48.68978 23.50392 3.162735       33.82938 
1 1 1 -29 4  36 o 182.6288 14.90654 1066.750       158.2726 1091.442       217.5934 1039.010       230.6385 177.3909 21.34358 170.0533 23.77461 7.337662       31.94965 
1 1 1 -29 4  37 o 166.4072 16.79728 908.4800       161.6898 847.3951       216.7954 985.0491       242.7225 151.2215 25.34046 161.6441 26.52256 -10.42256      36.68222 
1 1 1 -29 5  1  o 230.9754 24.02905 1639.175       320.7489 927.1652       417.4087 2665.821       501.2207 165.0986 42.76881 291.9122 29.68966 -126.8136      52.06388 
1 1 1 -29 5  2  o 99.06640 37.60088 251.7629       300.9781 195.0984       398.3917 327.1079       459.3903 102.4833 41.86341 115.5939 45.73056 -13.11060      61.99863 
1 1 1 -29 5  3  o 281.5808 17.41080 2380.495       286.1165 2501.774       442.0305 2293.043       375.3557 284.2598 26.83216 273.6885 23.61569 10.57129       35.74445 
1 1 1 -29 5  4  f 313.4630 21.75328 2986.012       397.4284 0.000000       0.000000 2986.012       397.4284 ?        ?        313.4630 21.75328 0.000000       21.75328 
1 1 1 -29 5  5  o 167.9395 27.94102 890.3452       265.5328 770.4855       384.3617 999.7774       367.2620 150.6463 41.95653 173.9363 37.13299 -23.28998      56.02865 
1 1 1 -29 5  6  o 147.1374 31.21484 699.3967       261.0067 618.8130       390.9503 764.1970       350.5794 135.9150 43.43681 150.7927 39.26262 -14.87762      58.55177 
1 1 1 -29 5  7  o 73.81950 31.46198 28.09908       239.5999 -76.30827      327.8883 147.7300       350.9798 78.45555 35.01680 94.82745 39.07551 -16.37190      52.46972 
1 1 1 -29 5  8  o 218.5517 19.54515 1449.701       247.8792 1557.543       350.1940 1341.414       350.9153 223.1428 27.32916 205.5866 29.98691 17.55615       40.57212 
1 1 1 -29 5  9  o 148.5531 28.07528 703.5941       235.6396 698.9883       321.1512 708.9654       346.8159 144.3732 37.57239 144.6949 39.68445 -0.3216858     54.64925 
1 1 1 -29 5  10 o 74.22543 30.01283 92.66450       202.3270 -1.565782      259.0028 240.1976       324.0813 74.05846 32.14636 99.14279 38.65244 -25.08433      50.27325 
1 1 1 -29 5  11 f 300.7657 13.33797 2694.421       234.6859 2669.174       311.0084 2727.809       357.6501 297.5117 17.90740 299.5123 20.48403 -2.000671      27.20791 
1 1 1 -29 5  12 o 42.08479 20.73803 -373.3289      182.1987 -560.4408      236.9796 -102.8315      284.9324 45.56059 22.66056 71.10677 32.11361 -25.54618      39.30375 
1 1 1 -29 5  13 f 115.8674 28.16319 434.7757       189.4851 611.8892       240.7540 146.4803       307.1613 136.8517 30.74857 89.89478 36.74451 46.95692       47.91278 
1 1 1 -29 5  14 o 377.9216 11.97370 4243.835       265.0528 4343.727       361.7210 4128.012       389.5012 380.2587 16.25727 369.6737 18.01981 10.58502       24.26957 
1 1 1 -29 5  15 o 222.5214 16.18458 1493.681       209.7706 1672.879       279.5623 1262.786       317.3358 233.5883 20.61835 199.0787 27.94829 34.50964       34.73072 
1 1 1 -29 5  16 o 439.4888 11.45993 5739.287       295.1274 5228.312       393.7522 6394.359       445.8284 416.7653 16.13997 460.6741 16.52828 -43.90887      23.10157 
1 1 1 -29 5  17 o 222.9807 15.58876 1501.107       202.5747 1379.944       275.0063 1644.844       299.5299 210.4388 22.63825 230.0070 22.49203 -19.56828      31.91210 
1 1 1 -29 5  18 o 210.1021 16.77808 1342.277       205.0229 1366.988       295.7173 1319.404       284.5002 207.8380 24.74597 204.4749 24.19227 3.363113       34.60678 
1 1 1 -29 5  19 o 48.32001 22.75629 -157.2097      166.4887 -134.8490      223.4660 -185.1056      249.5963 59.26262 27.38844 60.54162 28.30426 -1.278999      39.38602 
1 1 1 -29 5  20 o 54.96031 24.40750 -31.16678      157.2648 72.38100       207.8820 -169.7270      240.4727 71.10496 29.75037 59.63129 27.84699 11.47367       40.74971 
1 1 1 -29 5  21 o 45.29134 21.30371 -132.4414      145.1171 -84.50838      188.8186 -201.6104      226.8210 56.21800 25.68284 55.74246 26.34576 0.4755440      36.79276 
1 1 1 -29 5  22 o 73.20756 26.78153 156.9323       149.9660 173.0408       192.9066 132.3261       238.4185 78.45315 30.02393 78.37563 32.24160 0.7751465E-01  44.05629 
1 1 1 -29 5  23 o 62.60670 25.40374 76.60297       145.5365 164.3046       192.9501 -39.14312      221.6636 77.06985 29.88673 63.32151 28.48518 13.74835       41.28707 
1 1 1 -29 5  24 o 322.3023 10.62435 3114.702       200.5499 3154.181       285.4888 3076.239       281.7881 320.6578 15.22435 316.6700 15.21731 3.987823       21.52551 
1 1 1 -29 5  25 o 55.69935 23.84055 24.81590       138.6328 14.10214       186.1416 38.16089       207.7456 61.71938 27.01296 66.31284 28.78720 -4.593460      39.47662 
1 1 1 -29 5  26 o 94.44297 24.57827 305.7338       137.4279 213.9032       184.2466 420.8936       206.3272 80.89831 29.67052 107.1390 31.04683 -26.24065      42.94468 
1 1 1 -29 5  27 o 154.0713 15.64358 741.5870       139.3965 786.8349       191.0956 690.1283       203.7890 154.6271 21.66619 141.8709 25.42670 12.75616       33.40570 
1 1 1 -29 5  28 o 254.9233 11.03397 1967.506       164.5744 1808.190       227.0468 2143.878       238.8914 240.0323 16.22387 262.0638 15.61408 -22.03146      22.51696 
1 1 1 -29 5  29 o 181.4239 13.94838 1020.165       147.2735 1034.198       206.8573 1005.741       209.7246 177.6069 20.21870 174.5080 20.90765 3.098877       29.08480 
1 1 1 -29 5  30 o 166.6817 15.10607 872.7269       146.0675 844.1034       202.1388 904.0059       211.3073 157.8965 22.46143 163.2557 22.68142 -5.359238      31.92119 
1 1 1 -29 5  31 f 37.50211 18.35373 -217.6604      135.1616 -231.0595      185.0588 -202.3404      197.8793 45.61390 22.13259 48.77915 23.47500 -3.165253      32.26340 
1 1 1 -29 5  32 o 59.71355 24.49944 83.87726       137.1934 94.53545       188.8003 71.95298       199.6996 65.73770 27.96987 64.86108 28.19002 0.8766174      39.71134 
1 1 1 -29 5  33 o 44.32130 20.61706 -71.64637      129.7834 -29.96550      179.2710 -117.5496      188.1323 54.80957 25.03395 50.85582 24.02345 3.953751       34.69618 
1 1 1 -29 5  34 o 50.58626 22.57459 -2.735548      136.2202 302.2073       189.5209 -328.6442      195.9277 86.65936 30.28626 43.03542 21.26238 43.62395       37.00468 
1 1 1 -29 5  35 o 197.6616 13.97294 1233.559       160.9357 1255.918       226.1319 1210.612       229.0919 192.0485 20.38821 187.5046 21.20443 4.543915       29.41610 
1 1 1 -29 5  36 o 65.51170 25.85812 138.9953       146.5740 7.206400       205.5648 275.2948       209.0531 59.24609 26.96252 81.70840 31.25881 -22.46231      41.28064 
1 1 1 -29 5  37 o 68.19471 26.22027 163.1297       147.5927 -148.5793      207.3957 482.9763       210.0854 50.91194 24.37806 105.9151 31.50288 -55.00317      39.83367 
1 1 1 -29 6  1  o 79.51414 34.30029 12.97502       291.2201 -185.7810      370.3023 335.1853       471.4829 78.30161 35.84517 116.7494 46.28376 -38.44776      58.54112 
1 1 1 -29 6  2  o 157.0268 32.02475 796.2164       284.9175 706.5899       361.3995 943.4037       463.1315 144.8544 40.80752 164.9454 46.09851 -20.09105      61.56563 
1 1 1 -29 6  3  o 485.4666 18.29194 7077.391       519.8670 0.000000       0.000000 7077.391       519.8670 ?        ?        485.4666 18.29194 0.000000       18.29194 
1 1 1 -29 6  4  o 189.0342 28.13237 1124.394       302.3973 1153.104       382.7420 1076.700       493.3056 187.6202 36.09397 175.4972 46.99367 12.12299       59.25521 
1 1 1 -29 6  5  o 125.9136 33.68686 519.1119       253.6258 724.3445       364.1208 325.7013       353.4781 146.3437 40.86592 108.6725 40.85917 37.67117       57.78836 
1 1 1 -29 6  6  o 170.8230 25.87575 913.1296       251.1245 1241.611       351.2673 569.7375       359.1512 197.0610 31.45050 130.9014 41.61037 66.15962       52.15895 
1 1 1 -29 6  7  o 92.98415 33.49271 244.0304       233.3211 378.6302       313.0058 75.71432       350.0200 111.1142 38.91549 89.85319 38.15132 21.26102       54.49714 
1 1 1 -29 6  8  f 86.34547 33.02309 180.9496       233.2722 68.73573       316.2562 314.8517       345.4694 85.78375 36.33723 106.9406 40.35324 -21.15684      54.30266 
1 1 1 -29 6  9  o 118.7998 31.81842 460.8962       226.1189 381.2962       308.0678 553.8679       332.9393 110.9126 38.62334 128.7413 39.94387 -17.82862      55.56326 
1 1 1 -29 6  10 o 195.9675 20.19245 1172.495       228.7541 1418.313       309.6493 877.1564       339.4091 213.4986 25.21605 162.1076 36.57294 51.39093       44.42329 
1 1 1 -29 6  11 o 218.6218 16.52148 1439.338       210.2648 1494.154       272.0928 1358.075       331.2886 220.9081 21.26412 207.3951 27.94753 13.51300       35.11734 
1 1 1 -29 6  12 o 160.4253 21.26611 794.3226       195.1600 734.5921       247.0794 893.4037       318.2248 151.1192 28.93164 164.5069 34.10439 -13.38760      44.72303 
1 1 1 -29 6  13 o 289.9428 13.16184 2505.941       223.2263 2389.191       291.7409 2670.827       346.7060 281.2126 17.78040 296.2103 20.07633 -14.99771      26.81794 
1 1 1 -29 6  14 o 57.20668 25.83904 -77.13033      184.5301 -182.1549      231.4292 106.1898       305.7580 58.78349 27.40705 86.46766 36.12227 -27.68417      45.34275 
1 1 1 -29 6  15 o 169.3893 19.72982 882.2076       192.3369 715.9745       243.2753 1159.346       314.1145 148.4836 28.97687 189.7951 29.15032 -41.31148      41.10232 
1 1 1 -29 6  16 o 188.5216 18.09715 1084.750       197.6338 1035.544       262.0131 1149.699       301.0224 180.8204 25.40716 189.2731 27.95856 -8.452728      37.77837 
1 1 1 -29 6  17 o 315.6597 12.52393 2974.746       231.3914 2953.059       314.2333 3000.435       342.0011 312.0431 17.23764 313.6469 18.67700 -1.603790      25.41587 
1 1 1 -29 6  18 o 267.5158 13.21970 2145.472       206.7637 1861.670       274.7777 2515.925       313.9352 246.1732 19.18360 286.6347 18.77841 -40.46147      26.84473 
1 1 1 -29 6  19 o 203.4712 15.30442 1256.519       181.2906 1265.927       239.7271 1243.951       277.0769 201.5515 20.56860 197.4483 24.44938 4.103180       31.95058 
1 1 1 -29 6  20 o 154.0719 18.22572 737.1197       161.5017 796.6278       211.3153 653.5427       250.4300 157.4424 23.61273 137.6861 31.67313 19.75624       39.50631 
1 1 1 -29 6  21 o 137.3956 19.89007 597.0450       155.6159 704.1707       198.3413 425.5049       250.9857 147.2741 23.77275 109.2632 34.79068 38.01085       42.13710 
1 1 1 -29 6  22 o 132.9342 20.37735 564.2922       153.8099 621.5782       200.5058 482.3800       239.7600 136.3730 26.01871 115.5892 33.45958 20.78382       42.38534 
1 1 1 -29 6  23 o 110.0310 23.17549 400.8770       144.8215 467.6124       190.7158 309.9855       222.5718 116.1416 28.26973 94.50868 32.83418 21.63294       43.32737 
1 1 1 -29 6  24 o 102.9064 24.62337 358.6226       146.6167 674.6406       194.1000 -61.27582      223.7390 142.5512 24.07329 61.79181 28.12421 80.75943       37.02019 
1 1 1 -29 6  25 o 141.9659 17.49845 635.4680       142.6118 639.5311       192.7540 630.5540       211.9815 137.9006 24.74254 134.7444 27.74933 3.156174       37.17821 
1 1 1 -29 6  26 f 85.32520 25.13519 250.2152       134.2649 159.7697       185.2961 350.1975       194.8204 74.67719 29.19430 98.08282 30.57493 -23.40564      42.27451 
1 1 1 -29 6  27 o 68.53754 25.65238 140.7638       138.9941 25.39702       189.1778 276.0985       204.8965 62.19780 27.22712 87.90529 31.41973 -25.70749      41.57542 
1 1 1 -29 6  28 o 111.5769 21.76569 418.9101       137.3122 301.3264       188.0895 553.0863       200.9226 90.29048 30.20797 123.4466 28.35080 -33.15608      41.42812 
1 1 1 -29 6  29 o 257.4429 11.26446 2013.249       169.6639 2017.649       240.5224 2008.892       239.3639 253.0107 16.29604 252.5089 16.24961 0.5017853      23.01327 
1 1 1 -29 6  30 o 75.21343 25.76900 196.7121       136.9175 67.97591       188.3596 340.9388       199.3703 64.31386 27.66281 93.78185 31.09365 -29.46799      41.61786 
1 1 1 -29 6  31 o 41.06158 19.56465 -128.3462      130.1336 -198.5154      171.7043 -33.64303      199.4758 44.85489 21.65655 57.79047 26.39986 -12.93557      34.14614 
1 1 1 -29 6  32 o 40.66724 19.48042 -141.4215      132.7249 -23.51261      169.3231 -329.3168      213.7473 54.21665 24.59369 45.89601 22.58610 8.320641       33.39133 
1 1 1 -29 6  33 o 71.04926 25.85413 176.6221       139.4892 184.4525       182.1293 165.5125       216.9405 73.33382 28.86157 73.05359 30.46571 0.2802353      41.96606 
1 1 1 -29 6  34 o 57.36548 24.40178 60.57121       143.6426 86.74978       191.4743 26.87357       217.2388 64.41855 27.80069 62.39778 28.12317 2.020771       39.54480 
1 1 1 -29 6  35 o 53.13597 23.37939 22.48024       141.1069 -162.2917      194.1161 229.5171       205.4790 48.93787 23.47307 77.43031 30.59948 -28.49243      38.56570 
1 1 1 -29 6  36 o 41.81979 20.05779 -139.9494      141.6954 -177.8671      189.6606 -92.04980      213.1682 47.44990 22.87239 54.46409 25.68047 -7.014191      34.38942 
1 1 1 -29 6  37 o 64.39635 25.95080 130.5666       150.7027 -33.27716      208.1544 311.0543       218.4713 56.71586 26.28901 84.50519 32.04423 -27.78933      41.44809 
1 1 1 -29 7  1  o 107.7298 37.17300 354.1891       285.0732 397.2308       354.8027 275.7939       478.8361 114.9515 41.31469 113.2535 46.03325 1.697922       61.85437 
1 1 1 -29 7  2  o 201.5396 21.88023 1243.236       254.4755 726.4493       365.3530 1730.190       354.6509 146.5978 40.93432 236.2216 26.03052 -89.62384      48.50986 
1 1 1 -29 7  3  o 303.6687 18.82754 2780.507       333.6590 2377.304       409.2556 3579.766       576.2045 277.5552 25.42381 338.3818 29.32400 -60.82660      38.81065 
1 1 1 -29 7  4  o 289.1693 18.21175 2518.326       307.2862 2452.162       394.3966 2620.536       490.1971 282.6096 24.02301 289.1304 29.31321 -6.520782      37.89946 
1 1 1 -29 7  5  o 226.9862 19.20891 1560.616       253.3144 1322.406       341.8592 1850.667       377.2278 204.5043 29.34266 243.8157 26.82360 -39.31143      39.75547 
1 1 1 -29 7  6  o 164.7401 25.22526 848.5895       235.9705 651.8732       316.6026 1094.432       353.9347 139.5641 37.76849 183.2932 34.18215 -43.72911      50.93995 
1 1 1 -29 7  7  o 192.7182 21.52144 1138.581       239.0981 919.1769       326.8095 1391.275       350.7275 167.3957 34.43862 209.6541 29.32543 -42.25838      45.23272 
1 1 1 -29 7  8  f 58.11884 27.01001 -171.3083      221.9390 193.9397       287.0324 -714.3400      349.9851 92.32504 36.26361 57.51943 28.41832 34.80561       46.07223 
1 1 1 -29 7  9  o 172.4177 23.56552 923.1976       232.0625 929.3223       318.4823 916.2653       338.8343 168.5939 33.39161 166.1750 35.82338 2.418945       48.97258 
1 1 1 -29 7  10 o 149.2818 25.12141 701.5332       212.1368 474.7957       280.4599 1004.710       324.3076 119.8991 36.56417 175.6834 32.67813 -55.78425      49.03875 
1 1 1 -29 7  11 o 152.3660 25.14789 731.1417       216.8863 1128.435       291.9413 241.7856       324.0057 189.0916 27.09887 98.92661 38.62498 90.16496       47.18302 
1 1 1 -29 7  12 o 240.0793 14.76780 1726.847       206.9256 1544.641       263.0566 2022.585       335.1361 224.9447 20.15321 256.4339 22.51235 -31.48912      30.21519 
1 1 1 -29 7  13 o 315.0664 13.60773 2962.662       250.8495 2892.056       349.8344 3037.385       359.8887 308.5012 19.43424 316.1439 19.50530 -7.642731      27.53446 
1 1 1 -29 7  14 f 157.3897 22.20457 771.5521       199.2720 872.4960       258.2607 623.0333       313.2629 165.0716 27.65416 134.8191 37.99707 30.25253       46.99500 
1 1 1 -29 7  15 o 308.8221 14.13341 2855.958       255.3013 2907.659       307.8903 2742.183       456.7448 310.1886 16.98952 294.9007 26.69765 15.28790       31.64504 
1 1 1 -29 7  16 o 308.7384 12.74792 2846.174       230.3273 2570.025       303.0343 3223.950       354.4362 290.8477 17.85143 325.3582 18.65305 -34.51041      25.81878 
1 1 1 -29 7  17 o 189.0445 17.16873 1089.677       188.2759 875.0870       247.5695 1384.024       289.9492 164.9403 26.48951 209.6357 24.01645 -44.69543      35.75589 
1 1 1 -29 7  18 o 225.9457 14.41693 1540.144       190.0448 1787.519       250.4940 1204.643       291.7198 241.7597 17.79163 193.4191 26.40551 48.34064       31.84012 
1 1 1 -29 7  19 o 269.1330 12.39204 2171.686       195.0712 2188.514       257.7846 2149.138       298.3938 267.9351 16.48484 263.5643 19.44107 4.370758       25.48932 
1 1 1 -29 7  20 o 166.2097 17.34454 853.4111       166.5860 1157.209       216.3592 411.0984       261.0646 192.6174 19.41741 108.0850 35.57019 84.53240       40.52499 
1 1 1 -29 7  21 o 55.51491 24.12088 2.629189       146.1192 45.37435       187.0479 -64.29946      234.0536 65.44693 27.84272 63.88047 28.95257 1.566463       40.16801 
1 1 1 -29 7  22 o 193.1948 14.15580 1137.909       159.2777 1104.801       209.4511 1183.310       245.2717 187.3172 19.34370 191.8968 22.20273 -4.579605      29.44724 
1 1 1 -29 7  23 o 156.7571 16.66148 764.6960       150.8326 876.1443       198.3925 612.0389       232.1919 165.2795 20.93609 131.3980 30.68875 33.88147       37.14995 
1 1 1 -29 7  24 o 57.63150 24.38152 38.02135       142.0853 149.4789       181.9631 -136.1057      227.4373 73.95914 28.92559 58.02670 27.09241 15.93244       39.63191 
1 1 1 -29 7  25 o 45.99992 21.41248 -96.59615      140.3651 -25.86751      179.5386 -207.7955      225.1185 57.62918 25.80282 54.02927 25.74035 3.599907       36.44654 
1 1 1 -29 7  26 o 45.66021 21.26643 -94.46056      138.7679 -92.26700      189.1501 -97.01729      204.2086 54.38235 25.15588 56.31732 26.08142 -1.934967      36.23616 
1 1 1 -29 7  27 o 166.1170 14.95705 858.6717       144.1582 831.8468       201.6360 886.7195       206.1810 158.1342 22.36512 163.5841 22.05219 -5.449875      31.40856 
1 1 1 -29 7  28 o 251.6538 11.41881 1923.612       168.0899 2140.238       243.6411 1726.850       232.2014 261.2225 15.97985 233.4860 17.07523 27.73647       23.38630 
1 1 1 -29 7  29 o 130.1005 18.88933 552.3075       139.9182 682.2272       194.8101 413.8798       201.0877 140.2611 24.57765 103.7919 30.80838 36.46913       39.41088 
1 1 1 -29 7  30 o 130.0604 17.88712 548.9530       132.8284 487.9480       177.0560 627.4863       200.8885 116.0084 26.59323 131.7670 26.90640 -15.75860      37.83060 
1 1 1 -29 7  31 o 57.37092 23.79341 67.43338       131.2768 132.6594       173.0549 -20.97637      201.4762 68.33363 27.71105 58.73420 26.71532 9.599438       38.49170 
1 1 1 -29 7  32 o 48.15560 21.94194 -37.63099      136.6608 -9.679088      182.0754 -73.69485      206.8148 56.76298 25.64997 55.87832 26.00422 0.8846550      36.52589 
1 1 1 -29 7  33 o 49.66324 22.24753 -10.06553      133.6558 -186.7819      175.6403 233.0371       206.0063 45.55260 21.97105 78.92657 30.80373 -33.37397      37.83644 
1 1 1 -29 7  34 o 72.41425 26.30614 188.7860       144.3247 249.3152       187.5664 100.9350       225.9676 80.09885 29.83528 68.00557 29.76356 12.09328       42.14278 
1 1 1 -29 7  35 o 56.32521 24.03930 58.43790       140.2256 127.5990       181.3759 -44.32274      221.0863 66.56017 27.81464 57.96952 26.94656 8.590652       38.72688 
1 1 1 -29 7  36 o 37.21041 18.39465 -264.7440      147.3658 -343.5204      196.9110 -164.4490      222.1835 42.30471 20.97518 52.17243 25.04765 -9.867718      32.67022 
1 1 1 -29 7  37 o 73.34833 27.18248 205.1046       155.3239 238.0954       209.5793 164.9025       231.3536 77.08896 30.76087 71.34171 30.67134 5.747253       43.43918 
1 1 1 -29 8  1  o 129.6309 34.67347 553.1536       268.7374 183.9160       326.4483 1329.493       473.3553 95.27704 38.26432 198.1062 42.04420 -102.8291      56.84957 
1 1 1 -29 8  2  o 207.6647 20.69150 1314.472       248.6525 884.4335       341.2577 1801.184       363.0485 163.4020 36.52908 240.8890 26.11513 -77.48694      44.90405 
1 1 1 -29 8  3  o 206.3058 20.16881 1295.327       240.9159 1232.561       333.8120 1363.560       348.0467 197.0843 29.81050 207.6709 29.39754 -10.58659      41.86742 
1 1 1 -29 8  4  o 201.4990 21.16924 1241.069       246.4345 1167.363       334.5701 1328.482       364.3536 191.1253 30.90227 203.8222 31.49458 -12.69695      44.12322 
1 1 1 -29 8  5  o 229.2580 17.98681 1586.548       239.9054 1613.415       331.8556 1557.135       347.2206 228.1380 25.22356 223.1803 27.08113 4.957626       37.00832 
1 1 1 -29 8  6  o 375.5570 13.73472 4199.075       302.0050 4587.454       448.0448 3875.688       408.8415 389.5241 19.67639 358.0298 19.54499 31.49432       27.73386 
1 1 1 -29 8  7  o 168.8616 23.92074 886.9009       230.2716 1076.331       300.3892 616.9501       358.5935 184.1580 28.75183 135.0353 41.37675 49.12268       50.38555 
1 1 1 -29 8  8  o 129.6260 29.90238 545.0469       222.6951 689.8922       293.4876 348.4692       341.9045 144.1174 35.06267 109.3342 40.36367 34.78316       53.46603 
1 1 1 -29 8  9  o 276.4935 15.67954 2291.780       253.2124 2329.237       341.8223 2246.230       376.9409 276.2597 21.26100 269.7897 24.07577 6.470032       32.11966 
1 1 1 -29 8  10 o 266.5464 15.55640 2130.566       242.1256 2158.990       329.7355 2097.306       356.6849 265.7715 21.33374 260.7656 23.57745 5.005951       31.79661 
1 1 1 -29 8  11 o 96.60105 31.95137 290.6046       210.5572 476.5091       279.8829 48.19476       319.5998 119.7957 36.52534 84.28757 36.14004 35.50813       51.38290 
1 1 1 -29 8  12 o 229.2840 17.12201 1588.253       228.5766 1512.385       313.5161 1674.339       333.9644 220.2801 24.69252 231.7404 24.96585 -11.46034      35.11430 
1 1 1 -29 8  13 f 298.9550 17.88525 2704.521       312.1484 2441.983       574.5493 2814.466       371.8074 270.7596 37.16135 303.2142 21.03874 -32.45453      42.70356 
1 1 1 -29 8  14 o 129.6463 25.85195 539.3865       189.6655 516.4245       235.6958 581.5740       319.4765 124.5015 32.08027 129.9248 38.89734 -5.423325      50.41971 
1 1 1 -29 8  15 o 169.8517 20.17415 890.9598       197.0417 1163.056       252.7194 469.0927       314.6771 193.1091 22.75051 117.7951 39.06406 75.31394       45.20604 
1 1 1 -29 8  16 o 238.5210 14.61088 1712.050       203.4064 1602.702       257.8485 1892.214       330.9720 228.5246 19.42279 246.1808 23.19725 -17.65623      30.25487 
1 1 1 -29 8  17 o 141.6619 21.59366 631.5826       173.7386 598.8439       219.6412 686.3100       283.9787 134.5833 28.70369 141.1027 34.58845 -6.519379      44.94733 
1 1 1 -29 8  18 o 199.0049 15.43818 1202.847       178.7733 861.0984       223.9669 1802.927       296.7806 164.1526 23.97099 240.3832 21.27069 -76.23058      32.04763 
1 1 1 -29 8  19 o 172.7063 17.03466 917.6836       170.2969 842.7941       214.5628 1045.170       279.9469 162.2878 23.20295 178.0596 27.70875 -15.77184      36.14072 
1 1 1 -29 8  20 o 149.6780 18.61008 700.3882       159.8461 744.8763       202.7980 627.4113       259.7372 151.7507 23.54964 133.0517 33.35351 18.69899       40.82943 
1 1 1 -29 8  21 o 75.95322 26.05666 181.5125       140.0032 178.6025       172.5851 187.1131       239.4238 77.55937 28.66949 83.20606 32.98338 -5.646690      43.70175 
1 1 1 -29 8  22 o 54.92108 23.42422 22.54840       132.9825 34.46284       167.9649 2.534938       217.6922 61.45670 26.27174 65.58868 28.94148 -4.131973      39.08726 
1 1 1 -29 8  23 o 91.53426 24.84860 284.0921       136.7885 165.4068       175.2722 469.0107       218.7786 75.44756 28.68029 113.8729 31.63164 -38.42530      42.69800 
1 1 1 -29 8  24 f 118.3723 22.10031 461.8096       147.7848 561.3093       188.5562 303.3397       237.9595 128.2943 25.95262 92.96380 33.77731 35.33047       42.59630 
1 1 1 -29 8  25 o 67.91649 25.64427 131.9043       139.5701 223.0397       181.3757 -0.4095069     218.5436 81.92851 29.52744 64.51500 28.70438 17.41351       41.18023 
1 1 1 -29 8  26 o 52.20882 23.25126 -18.26470      143.7470 80.53954       188.3691 -156.0280      222.4275 66.86839 28.16984 55.64301 26.23510 11.22538       38.49442 
1 1 1 -29 8  27 o 76.18023 25.99423 197.0695       139.2910 256.8844       187.8107 123.9465       207.6552 84.91602 30.10960 71.92706 29.88580 12.98896       42.42345 
1 1 1 -29 8  28 o 58.52441 24.66098 55.18753       144.4232 271.6900       188.4863 -252.6599      224.7585 86.21757 30.19837 51.07579 24.68880 35.14178       39.00613 
1 1 1 -29 8  29 o 101.5921 22.27873 354.1367       129.0767 305.4188       174.2647 413.3512       192.1230 90.42514 29.01069 104.2223 29.88523 -13.79711      41.65030 
1 1 1 -29 8  30 o 81.80607 24.93261 239.4076       130.4307 400.1080       169.5972 6.759322       204.0611 103.8696 27.43654 61.19176 27.44477 42.67786       38.80695 
1 1 1 -29 8  31 o 92.21569 25.22027 310.1558       140.3008 217.8718       180.8602 449.6102       222.3288 77.87673 29.23809 104.5030 32.67535 -26.62626      43.84683 
1 1 1 -29 8  32 o 67.48507 25.47136 149.4046       137.6634 221.7696       178.1016 42.00351       216.9742 77.69329 29.04620 63.91249 28.50817 13.78080       40.69887 
1 1 1 -29 8  33 o 200.1501 13.08431 1248.910       152.7459 1182.740       199.2126 1343.308       237.9413 189.7173 18.12443 199.1422 20.67351 -9.424911      27.49343 
1 1 1 -29 8  34 o 41.95071 19.95860 -118.0360      134.4062 -78.32201      168.9092 -186.5897      221.9204 49.92679 23.32279 51.63685 24.85279 -1.710056      34.08245 
1 1 1 -29 8  35 o 58.79439 24.81239 76.74104       146.5600 140.5810       183.1069 -37.07311      244.4875 67.82615 28.11245 60.57212 28.21714 7.254025       39.83110 
1 1 1 -29 8  36 o 55.45445 24.25913 39.04059       149.9627 43.24504       198.7503 33.48285       228.5083 60.85626 27.20517 62.81140 28.52323 -1.955143      39.41695 
1 1 1 -29 9  1  o 194.0354 22.11956 1156.102       247.2244 1094.604       341.7759 1223.595       358.0477 183.9594 32.88597 194.9480 32.45706 -10.98856      46.20549 
1 1 1 -29 9  2  o 249.8098 16.95735 1876.215       246.9654 1711.868       350.5015 2038.259       348.0353 234.7539 25.88749 257.6907 23.27975 -22.93684      34.81535 
1 1 1 -29 9  3  o 231.1409 19.85911 1622.635       266.6005 1514.179       320.5990 1865.746       479.9979 220.9339 25.19245 239.7686 35.18060 -18.83466      43.27048 
1 1 1 -29 9  4  o 316.7888 20.78953 3048.556       384.1124 0.000000       0.000000 3048.556       384.1124 ?        ?        316.7888 20.78953 0.000000       20.78953 
1 1 1 -29 9  5  o 228.2729 17.84469 1573.216       237.0016 1356.863       315.5974 1853.021       358.9053 208.3416 26.42236 244.4217 25.40776 -36.08003      36.65645 
1 1 1 -29 9  6  o 257.2886 16.87633 1991.019       253.2472 1912.723       340.5470 2087.888       378.7889 249.2229 23.57945 259.6144 25.19454 -10.39146      34.50733 
1 1 1 -29 9  7  o 328.1463 14.37498 3213.723       275.9754 3730.092       388.7099 2688.881       391.8857 351.3649 18.93319 296.2027 22.73275 55.16223       29.58451 
1 1 1 -29 9  8  o 298.8546 14.50501 2668.237       253.4717 2464.261       334.3169 2944.017       388.7318 284.7402 20.14992 310.6185 21.47103 -25.87830      29.44528 
1 1 1 -29 9  9  o 428.5172 13.25221 5465.544       332.6478 6006.618       506.5742 5055.356       441.0689 445.4986 19.43535 409.2879 18.42220 36.21069       26.77892 
1 1 1 -29 9  10 o 198.5951 19.42418 1202.615       223.3466 1358.627       291.0572 979.1772       348.3190 209.0916 24.18018 171.4121 35.80512 37.67955       43.20518 
1 1 1 -29 9  11 o 55.19445 25.58174 -144.3941      197.0450 -183.9270      251.6512 -81.74763      316.7870 61.89119 28.76251 76.11088 34.16088 -14.21969      44.65700 
1 1 1 -29 9  12 o 189.9315 20.23481 1107.172       221.9298 1260.690       289.7694 889.3557       345.1588 200.4664 25.20245 161.8455 37.15097 38.62094       44.89274 
1 1 1 -29 9  13 o 177.0343 19.96345 963.7529       203.6631 898.7025       262.8740 1061.429       322.1189 167.3978 27.74725 180.0569 31.65909 -12.65909      42.09760 
1 1 1 -29 9  14 o 71.95680 28.59406 104.4503       180.3592 282.1058       218.5319 -275.0814      319.4109 95.14885 32.55684 66.78136 31.47195 28.36749       45.28169 
1 1 1 -29 9  15 o 394.0440 14.94219 4665.351       344.6846 4185.488       404.4699 5938.251       658.7563 370.7058 18.66405 434.3594 25.97849 -63.65363      31.98795 
1 1 1 -29 9  16 o 135.6282 22.58864 582.5454       173.3596 589.5602       208.2930 566.7328       312.7290 134.3030 27.37442 126.9226 38.59128 7.380470       47.31433 
1 1 1 -29 9  17 o 178.3141 18.83786 982.0546       194.0262 1015.703       210.6543 793.8064       498.2572 180.6928 20.22486 142.3450 49.14342 38.34779       53.14246 
1 1 1 -29 9  18 o 196.4688 17.48775 1186.469       199.3978 1329.174       239.0882 860.4536       361.3748 206.6215 19.97918 152.8823 39.89018 53.73924       44.61383 
1 1 1 -29 9  19 o 55.52009 24.19676 -3.463232      147.9846 -158.9910      182.4960 295.1658       252.8806 50.77887 23.88659 95.47395 34.80067 -44.69508      42.20967 
1 1 1 -29 9  20 o 77.28857 27.29067 184.2631       154.1572 263.3807       194.2182 49.54353       253.4362 89.28963 30.68785 73.66263 31.88738 15.62701       44.25550 
1 1 1 -29 9  21 o 57.41854 24.57472 23.16121       147.2842 105.7004       185.4806 -117.7068      242.3119 70.51270 28.65409 61.63572 28.49746 8.876980       40.41240 
1 1 1 -29 9  22 o 113.6102 22.00851 422.8101       141.3445 399.2048       174.7558 467.4629       240.3539 107.4294 27.59351 112.8256 33.72923 -5.396194      43.57824 
1 1 1 -29 9  23 o 63.12933 24.86853 95.00111       135.3305 147.2472       170.1404 5.015691       223.2886 72.79877 28.10948 65.94804 29.19570 6.850739       40.52817 
1 1 1 -29 9  24 f 188.7234 14.44479 1094.652       158.6625 1110.055       204.3095 1071.251       251.8375 187.0929 18.87796 179.2713 24.60109 7.821533       31.00953 
1 1 1 -29 9  25 o 140.5893 18.66043 632.0267       150.0637 766.8140       193.4784 428.5179       237.7386 152.5197 22.28807 106.1266 33.86771 46.39304       40.54355 
1 1 1 -29 9  26 o 113.9929 22.63069 437.6034       145.9570 407.5888       195.2892 475.5859       219.6868 105.0118 30.13643 112.1851 31.88893 -7.173325      43.87606 
1 1 1 -29 9  27 o 64.90948 24.93694 119.8416       133.4238 -71.22054      188.1035 313.3044       189.2815 54.91315 25.28851 91.82806 30.29086 -36.91491      39.45941 
1 1 1 -29 9  28 o 141.7809 16.61677 639.5656       135.5517 440.1082       181.9883 888.1077       203.1508 109.4214 28.18653 163.0802 21.78502 -53.65879      35.62397 
1 1 1 -29 9  29 o 123.8901 20.60214 512.8311       144.4373 704.3017       186.6811 227.2604       227.9849 143.5863 22.94020 81.23410 32.19089 62.35217       39.52855 
1 1 1 -29 9  30 o 95.65820 24.41037 327.4377       137.3793 134.5925       184.2753 568.7201       206.1225 69.50635 28.44145 122.6380 29.09889 -53.13163      40.68982 
1 1 1 -29 9  31 o 129.9589 18.83595 558.6672       139.3836 588.3851       186.6056 521.1618       209.6344 127.3944 25.86044 114.9520 30.56868 12.44240       40.04006 
1 1 1 -29 9  32 o 161.7316 16.38647 842.9735       153.2859 701.0560       202.9831 1031.308       233.8339 138.6007 25.92422 170.8645 23.99516 -32.26382      35.32468 
1 1 1 -29 9  33 o 41.77753 19.98450 -136.8161      138.6299 -244.9104      175.4967 42.56449       226.0765 42.97714 21.00781 64.28036 28.85412 -21.30322      35.69157 
1 1 1 -29 9  34 o 43.69229 20.79320 -122.6764      146.0956 -128.3836      188.1085 -114.0007      231.9254 49.80434 23.67123 55.85273 26.46969 -6.048389      35.51016 
1 1 1 -29 9  35 o 64.91519 26.20302 129.7464       153.9245 111.9133       203.9524 153.3454       234.6192 66.55766 28.70786 71.45827 30.80588 -4.900612      42.10871 
1 1 1 -29 9  36 o 80.30134 26.66786 251.4148       146.6385 316.5635       190.9711 157.8174       228.9003 86.63569 30.39287 71.11824 30.54078 15.51745       43.08672 
1 1 1 -29 10 1  o 250.6046 17.17204 1890.125       250.8585 1626.796       341.1105 2200.296       370.2082 228.6772 25.88928 267.4034 23.85661 -38.72621      35.20501 
1 1 1 -29 10 2  o 152.5391 29.67369 747.5472       255.9039 827.5085       297.2473 518.5748       503.0022 159.2418 32.91647 129.6051 48.73843 29.63675       58.81265 
1 1 1 -29 10 3  o 310.7932 21.34364 2941.704       386.6747 0.000000       0.000000 2941.704       386.6747 ?        ?        310.7932 21.34364 0.000000       21.34364 
1 1 1 -29 10 4  o 435.3964 25.76473 5856.046       654.9604 0.000000       0.000000 5856.046       654.9604 ?        ?        435.3964 25.76473 0.000000       25.76473 
1 1 1 -29 10 5  o 105.9297 31.98832 361.2857       215.3803 36.09655       272.0986 906.8789       352.4461 78.31203 33.45663 164.5180 37.38083 -86.20593      50.16645 
1 1 1 -29 10 6  o 376.8797 18.90365 4290.877       416.4953 0.000000       0.000000 4290.877       416.4953 ?        ?        376.8797 18.90365 0.000000       18.90365 
1 1 1 -29 10 7  o 440.2455 13.31054 5768.269       343.2750 6262.313       519.4017 5385.112       457.4134 454.9267 19.51292 422.4665 18.50636 32.46024       26.89311 
1 1 1 -29 10 8  o 82.27848 31.09637 170.1173       205.3361 99.32471       257.8980 292.7049       339.3731 81.24751 33.48923 104.1275 39.82950 -22.88004      52.03765 
1 1 1 -29 10 9  o 197.1829 18.86871 1183.426       215.5449 1187.963       271.9072 1175.754       353.5887 195.2985 24.26096 189.8369 32.95366 5.461609       40.92111 
1 1 1 -29 10 10 o 282.4915 14.40256 2387.492       237.8263 2254.635       308.2355 2582.943       373.8582 272.2915 19.42948 290.0178 22.14774 -17.72629      29.46230 
1 1 1 -29 10 11 f 74.97279 30.48223 95.22143       210.0303 122.6239       271.9728 54.73448       330.5889 84.22781 34.51896 85.47337 36.70414 -1.245567      50.38603 
1 1 1 -29 10 12 o 290.0875 15.01497 2525.749       254.5796 2644.318       351.9340 2395.606       368.7116 293.9337 20.54492 278.3715 22.78371 15.56219       30.67884 
1 1 1 -29 10 13 o 220.2830 17.53071 1474.029       224.6136 1770.773       297.1464 1078.434       343.0868 239.6210 21.36834 179.9095 33.75575 59.71155       39.95068 
1 1 1 -29 10 14 o 35.27723 17.86407 -626.0587      184.6147 -527.1970      227.9925 -814.3177      314.6186 44.77306 22.26186 50.11964 25.10768 -5.346577      33.55571 
1 1 1 -29 10 15 o 406.3660 14.82311 4965.141       352.6784 4446.815       416.3721 6281.300       663.4902 381.7938 18.65171 446.6697 25.43291 -64.87592      31.53917 
1 1 1 -29 10 16 o 141.8529 21.00837 632.1562       169.4995 581.4162       205.9903 738.5475       298.2804 133.0398 27.31608 145.7362 35.28046 -12.69637      44.61927 
1 1 1 -29 10 17 f 150.6586 22.00011 719.3607       188.6553 755.6505       206.8579 539.9583       459.9325 153.5800 23.73018 122.2853 46.46544 31.29472       52.17431 
1 1 1 -29 10 18 o 275.7965 17.13316 2331.310       275.7572 2564.524       544.8397 2250.995       319.7333 271.9505 34.96923 268.5458 20.45497 3.404694       40.51238 
1 1 1 -29 10 19 o 131.2242 21.23949 550.9240       157.8769 569.7774       194.3272 514.3196       270.7724 130.8018 26.24549 118.9034 35.85805 11.89840       44.43676 
1 1 1 -29 10 20 o 107.2247 24.74908 383.9776       152.4791 524.2435       191.9964 144.4103       250.9174 124.4017 27.08551 80.33463 33.06467 44.06705       42.74223 
1 1 1 -29 10 21 o 116.3604 22.65835 444.6005       149.0635 337.2323       183.2307 654.7300       256.3326 98.34321 29.46133 134.8442 32.74442 -36.50097      44.04733 
1 1 1 -29 10 22 o 188.0746 14.88870 1086.780       162.8854 1147.060       209.3479 994.3046       259.2937 190.6110 18.97901 171.7302 26.60493 18.88074       32.68066 
1 1 1 -29 10 23 o 62.32304 24.97694 85.64630       138.7863 151.7607       169.9874 -46.53780      240.3577 73.16446 28.13717 64.58966 29.30017 8.574799       40.62265 
1 1 1 -29 10 24 o 145.1024 18.11622 668.0797       150.8180 929.2580       192.8914 257.2662       241.9172 170.3296 19.67053 87.87128 33.62378 82.45834       38.95495 
1 1 1 -29 10 25 o 44.52809 20.87009 -106.2616      137.1362 12.47605       175.8141 -290.7438      219.1477 59.63221 26.17182 49.39589 23.99485 10.23632       35.50657 
1 1 1 -29 10 26 o 62.59849 25.16311 93.08669       141.3104 89.59307       190.4940 97.36156       210.7193 67.43716 28.36414 70.03228 29.66280 -2.595116      41.04152 
1 1 1 -29 10 27 f 47.40551 21.58051 -46.42378      131.8155 -40.10502      180.1830 -53.69921      193.3424 55.68904 25.30436 56.63768 25.91769 -0.9486389     36.22206 
1 1 1 -29 10 28 o 41.56357 19.56585 -101.1221      122.8392 -249.1657      164.5642 85.16144       184.5984 41.76780 20.40079 65.70846 27.79428 -23.94065      34.47773 
1 1 1 -29 10 29 o 52.79858 22.96679 18.12527       132.7860 98.41184       172.7560 -97.79086      207.5790 65.40866 27.22493 55.41059 25.87480 9.998070       37.55931 
1 1 1 -29 10 30 o 80.68484 26.09454 236.9653       140.8027 248.8114       182.5113 219.5493       221.2972 81.76027 29.59916 79.27863 31.61759 2.481636       43.31030 
1 1 1 -29 10 31 o 64.32217 25.44328 120.8301       142.1872 120.1181       186.1192 121.8281       220.3543 67.61167 28.20918 70.19720 30.05166 -2.585526      41.21724 
1 1 1 -29 10 32 o 59.54140 24.30153 88.86626       134.1094 201.1801       171.8689 -85.97154      214.4363 74.87796 28.41526 55.81490 26.13997 19.06306       38.60991 
1 1 1 -29 10 33 o 144.1493 18.40329 689.6149       152.0385 691.4318       196.4711 686.9026       240.0457 137.7362 25.25234 129.5057 31.83365 8.230515       40.63326 
1 1 1 -29 10 34 o 54.09894 24.13776 11.58917       155.6642 -191.9633      203.2504 300.3787       242.0940 48.83289 23.57347 84.09449 33.22003 -35.26160      40.73424 
1 1 1 -29 10 35 o 78.56001 27.38261 239.7220       154.8641 82.19571       205.4090 447.1867       235.7302 64.32524 28.25840 99.10372 33.81606 -34.77848      44.06885 
1 1 1 -29 10 36 f 63.91621 26.26385 122.1876       157.9756 26.74477       207.7371 253.0725       243.2693 60.25743 27.29688 78.74765 32.49884 -18.49022      42.44165 
1 1 1 -29 11 1  o 161.8384 25.55844 822.7787       234.5427 933.9760       306.7715 666.3279       363.8790 169.7189 31.99322 139.7506 41.43363 29.96825       52.34799 
1 1 1 -29 11 2  o 164.6852 23.81268 844.5349       223.3233 609.6278       294.1923 1163.971       343.0642 135.0461 36.34777 189.9240 31.93143 -54.87794      48.38157 
1 1 1 -29 11 3  o 127.1292 29.40199 523.5653       214.8471 263.9223       269.0114 980.8690       357.0135 97.18636 35.81661 171.5977 36.59269 -74.41138      51.20404 
1 1 1 -29 11 4  o 219.3812 28.06243 1517.438       352.8002 0.000000       0.000000 1517.438       352.8002 ?        ?        219.3812 28.06243 0.000000       28.06243 
1 1 1 -29 11 5  o 182.2636 20.61532 1018.276       216.5002 925.3874       277.9785 1161.497       345.1716 170.2055 28.87867 189.3655 32.23392 -19.15993      43.27821 
1 1 1 -29 11 6  o 51.03802 24.10616 -196.2722      189.3081 -162.9193      231.4631 -263.6592      329.0058 59.98577 27.77582 69.15798 32.38563 -9.172207      42.66527 
1 1 1 -29 11 7  o 159.0765 23.12561 788.3348       209.4353 1039.252       265.7081 376.7059       340.3243 181.9389 25.60942 111.2666 40.39909 70.67236       47.83230 
1 1 1 -29 11 8  o 291.5650 22.00487 2607.281       373.4971 0.000000       0.000000 2607.281       373.4971 ?        ?        291.5650 22.00487 0.000000       22.00487 
1 1 1 -29 11 9  o 396.8565 13.02387 4691.262       302.7162 4719.267       431.8338 4664.204       424.4718 394.8067 18.70329 392.6347 18.48548 2.172028       26.29688 
1 1 1 -29 11 10 o 109.9242 30.07519 396.1019       199.4707 249.1221       239.9532 724.8513       358.8643 93.05051 33.90219 144.2144 40.67701 -51.16390      52.95260 
1 1 1 -29 11 11 o 324.3348 13.98976 3146.829       265.4801 3409.610       361.1645 2837.946       391.5667 335.2208 18.44166 303.4842 22.15239 31.73660       28.82400 
1 1 1 -29 11 12 o 130.6939 26.62572 551.7390       197.1459 750.8913       245.5519 190.5333       330.6953 152.0722 28.58135 94.21242 38.26954 57.85982       47.76454 
1 1 1 -29 11 13 o 179.5170 19.22607 990.7964       199.2678 1221.459       252.2704 608.0952       324.9433 198.1307 22.08525 131.7799 39.17513 66.35080       44.97164 
1 1 1 -29 11 14 o 199.0984 17.20065 1207.913       198.8782 1402.015       255.3435 908.5802       317.0934 212.8651 20.71532 163.6604 34.14260 49.20476       39.93547 
1 1 1 -29 11 15 o 73.33150 28.29559 130.7201       172.3143 132.4855       210.6799 127.1525       299.4865 77.53555 30.87375 85.68034 35.76840 -8.144791      47.25005 
1 1 1 -29 11 16 o 181.8504 16.32840 1010.114       172.2920 945.3978       209.7301 1144.435       302.1515 173.6447 21.02188 186.5710 28.51817 -12.92627      35.42887 
1 1 1 -29 11 17 o 240.7335 12.90506 1743.520       181.5335 1393.163       222.3900 2443.143       314.2619 212.5482 18.00990 280.9574 19.18736 -68.40923      26.31560 
1 1 1 -29 11 18 o 134.9275 19.60483 574.3438       150.6002 451.1024       178.2628 881.6002       281.4705 115.9358 26.76001 160.2855 31.06434 -44.34977      41.00111 
1 1 1 -29 11 19 o 39.49665 19.13349 -204.1287      136.8640 -142.9907      161.5963 -359.2741      257.4218 47.67171 22.44121 53.50103 25.99289 -5.829319      34.34003 
1 1 1 -29 11 20 o 297.7277 11.62013 2664.398       202.5097 2786.824       266.5772 2497.338       311.4035 301.9872 15.09955 282.6274 18.89560 19.35971       24.18760 
1 1 1 -29 11 21 o 82.17886 26.79663 225.0486       148.3114 209.7432       184.5420 252.9653       249.2330 81.39651 29.71966 89.03477 34.11354 -7.638260      45.24369 
1 1 1 -29 11 22 o 113.2202 23.55959 428.3531       151.3397 420.3959       187.3044 443.3170       256.8567 109.1159 28.83842 108.5282 35.25579 0.5877228      45.54806 
1 1 1 -29 11 23 o 80.25628 27.09630 215.3797       151.3146 220.7110       187.1837 205.3262       257.0454 82.11225 29.93923 84.10661 33.89252 -1.994362      45.22234 
1 1 1 -29 11 24 o 161.0418 16.15564 810.6796       150.5269 1007.081       198.2361 543.2319       231.3291 177.3493 19.37388 120.7781 32.10852 56.57122       37.50072 
1 1 1 -29 11 25 o 89.03491 25.51923 277.2402       140.1174 230.0607       179.2138 351.4326       224.7370 81.93607 29.37320 96.57298 33.01658 -14.63692      44.19139 
1 1 1 -29 11 26 o 184.0418 14.35874 1050.643       153.7570 1194.651       206.9683 873.2739       229.6934 192.9342 18.51840 158.8520 25.51904 34.08223       31.53019 
1 1 1 -29 11 27 o 107.6684 23.49258 400.4579       144.1639 321.1026       191.1109 505.2385       219.6027 92.37428 30.43533 114.4676 31.65101 -22.09330      43.91008 
1 1 1 -29 11 28 o 76.26020 25.72707 203.0567       136.4084 205.9068       180.1421 199.2261       208.8464 77.54157 29.16558 77.91969 30.83147 -0.3781204     42.44067 
1 1 1 -29 11 29 o 93.82355 24.91401 316.8815       139.3773 444.5313       187.4586 159.0845       208.4224 108.1474 28.97345 73.47752 30.17722 34.66985       41.83450 
1 1 1 -29 11 30 o 58.36804 24.46202 67.15062       140.9019 61.30710       183.2823 75.59467       220.3224 62.48409 27.08258 67.02413 29.36029 -4.540047      39.94363 
1 1 1 -29 11 31 o 40.40653 19.42598 -151.1914      134.7108 -54.27661      170.0807 -314.3307      220.6680 52.03963 23.99449 47.17078 23.16060 4.868843       33.34890 
1 1 1 -29 11 32 o 119.6045 21.79075 496.8982       147.2219 432.8855       194.6630 582.4394       225.0289 103.6197 30.19423 119.3206 31.64398 -15.70096      43.73824 
1 1 1 -29 11 33 o 47.75243 21.94968 -45.94814      140.7874 -29.98732      182.7414 -69.25570      220.8298 54.77098 25.11343 56.94791 26.62387 -2.176929      36.59938 
1 1 1 -29 11 34 o 43.29589 20.64049 -125.3979      145.2467 -167.1773      186.1571 -60.38719      232.2153 47.53775 22.84969 58.24590 27.25375 -10.70815      35.56508 
1 1 1 -29 11 35 o 117.0109 24.11895 501.7090       160.0098 404.1394       207.5692 644.6052       251.1978 96.50819 31.71494 120.2059 34.07604 -23.69772      46.55119 
1 1 1 -29 12 1  o 232.7548 18.77522 1642.857       254.1183 1544.931       328.0952 1789.679       401.7413 222.5620 25.60193 237.5322 29.47030 -14.97021      39.03790 
1 1 1 -29 12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 12 3  o 327.7386 16.22740 3224.029       310.9385 3038.814       370.8096 3662.744       570.6957 316.2239 20.09828 341.2213 28.78617 -24.99738      35.10818 
1 1 1 -29 12 4  f 363.4725 28.66601 4153.976       606.1245 0.000000       0.000000 4153.976       606.1245 ?        ?        363.4725 28.66601 0.000000       28.66601 
1 1 1 -29 12 5  o 141.2523 26.53626 635.9897       211.7600 282.3319       259.6097 1339.110       366.0532 98.12092 35.33096 203.5837 31.68934 -105.4627      47.46042 
1 1 1 -29 12 6  o 276.2582 15.44035 2289.707       249.1674 2478.059       332.5004 2048.460       376.3028 285.2865 19.99955 256.3822 25.35823 28.90433       32.29585 
1 1 1 -29 12 7  o 143.3465 24.27213 647.8646       196.7797 839.5563       242.3460 276.9011       337.1318 162.7123 26.29216 102.2324 39.54322 60.47990       47.48625 
1 1 1 -29 12 8  f 141.2712 25.91400 636.2686       206.7935 720.3420       262.7362 499.3932       335.2382 148.1294 31.22877 121.9759 40.31524 26.15347       50.99564 
1 1 1 -29 12 9  o 343.2776 13.98308 3523.176       280.9240 4018.827       395.8081 3020.049       398.7816 364.0204 18.60162 313.4594 21.82858 50.56094       28.67938 
1 1 1 -29 12 10 o 229.8579 17.05558 1600.266       228.2815 1501.076       291.8189 1756.686       366.4595 219.7669 22.98057 235.4745 27.02499 -15.70760      35.47474 
1 1 1 -29 12 11 o 118.7529 27.68579 460.6251       189.2499 367.6923       226.4471 675.8804       344.6349 105.6672 32.96711 138.6638 40.10842 -32.99661      51.91835 
1 1 1 -29 12 12 o 74.31073 28.87836 127.8279       180.4452 176.4584       217.6714 20.98623       322.6393 83.14320 31.87435 81.71811 35.66914 1.425095       47.83578 
1 1 1 -29 12 13 o 174.6094 18.86512 938.4003       190.1232 1306.265       238.7483 300.7661       314.3271 205.7183 20.04252 101.1124 38.41441 104.6059       43.32862 
1 1 1 -29 12 14 o 90.83175 27.98336 268.2530       163.7424 434.5062       198.8360 -82.06374      288.6295 113.8815 29.52730 71.23365 32.23161 42.64787       43.71199 
1 1 1 -29 12 15 o 193.8652 15.85291 1144.384       178.6709 1124.715       221.8375 1180.702       301.4456 190.0285 20.21505 190.0111 27.87957 0.1736450E-01  34.43716 
1 1 1 -29 12 16 o 114.9627 25.18017 434.9551       165.0629 428.8151       205.2702 446.1902       277.6683 111.9042 30.46527 112.3349 36.66771 -0.4307098     47.67236 
1 1 1 -29 12 17 o 317.4951 11.06879 3013.511       205.7893 2825.856       267.2023 3287.098       322.6310 305.0229 14.98263 327.5477 16.85169 -22.52475      22.54903 
1 1 1 -29 12 18 o 102.1305 25.33417 349.3779       151.0069 237.3736       181.0154 605.7183       273.8461 85.53972 29.61651 128.8897 35.22863 -43.35001      46.02385 
1 1 1 -29 12 19 o 226.3635 12.70367 1548.677       167.9732 1526.035       205.7381 1593.943       290.8992 222.8740 15.84330 222.7432 22.57994 0.1307831      27.58376 
1 1 1 -29 12 20 o 75.35672 26.26693 179.1887       142.5022 87.10873       170.2197 394.9114       260.5404 66.68903 27.31730 103.9894 35.54947 -37.30042      44.83302 
1 1 1 -29 12 21 o 136.3895 19.72956 595.4835       153.2357 616.7674       189.0465 554.7105       261.6552 135.8385 24.63687 121.4501 34.89249 14.38838       42.71371 
1 1 1 -29 12 22 o 69.42633 26.42512 135.4263       148.9100 150.1855       183.5353 106.9950       254.7340 74.02788 29.02143 76.27116 32.47144 -2.243286      43.55040 
1 1 1 -29 12 23 o 141.2582 18.78515 637.4637       151.7707 679.7776       195.4596 573.2144       240.8519 142.2496 24.30115 124.0321 32.66472 18.21751       40.71277 
1 1 1 -29 12 24 o 208.8009 13.17888 1333.898       160.5611 1495.303       211.0112 1111.929       247.4530 218.5223 16.58885 182.4297 23.68721 36.09262       28.91840 
1 1 1 -29 12 25 o 51.59012 22.68980 -1.126766      132.7783 61.53135       165.8138 -113.1148      221.6756 62.14450 26.31703 57.32412 26.75866 4.820374       37.53148 
1 1 1 -29 12 26 o 112.5955 22.36649 430.1473       142.4884 308.2366       182.8787 618.4905       227.3093 91.15176 29.75820 128.4589 30.60891 -37.30711      42.69023 
1 1 1 -29 12 27 o 79.75481 25.99270 224.7360       139.5551 49.50649       182.5945 470.8718       216.4070 62.45549 27.05107 109.9204 31.77926 -47.46493      41.73346 
1 1 1 -29 12 28 f 90.77080 25.04744 295.5478       137.6844 273.6060       175.5665 330.6000       221.9031 85.71888 29.18473 91.70247 32.70648 -5.983589      43.83449 
1 1 1 -29 12 29 o 51.33171 22.81492 -3.741801      137.6979 -178.1587      183.9441 218.5865       207.6772 47.69497 22.86975 78.85539 30.88386 -31.16042      38.42965 
1 1 1 -29 12 30 o 57.78215 24.46306 59.94984       143.2101 34.85117       182.6449 100.0084       230.7435 60.15227 26.52748 69.38689 30.22767 -9.234615      40.21715 
1 1 1 -29 12 31 o 116.0955 21.84868 467.9741       143.3040 317.9277       180.5828 723.1779       235.5088 89.53463 29.58888 135.7455 30.34567 -46.21091      42.38350 
1 1 1 -29 12 32 o 86.97637 25.83589 284.5923       141.3736 271.6564       180.2473 305.2716       227.8962 83.12476 29.49487 85.91185 32.69284 -2.787094      44.03145 
1 1 1 -29 12 33 o 108.0244 23.60091 422.8709       145.3296 548.2665       186.3017 227.9548       232.2733 119.7988 27.14661 77.78598 31.89200 42.01283       41.88124 
1 1 1 -29 12 34 f 129.5893 20.92459 582.5573       153.6131 697.7836       200.1904 417.5623       239.5537 136.6844 25.92141 95.59431 33.99427 41.09009       42.74962 
1 1 1 -29 12 35 o 59.93507 25.36577 84.45541       153.8859 -34.84815      193.5112 289.6906       253.8081 55.12563 25.48014 82.07749 33.45719 -26.95186      42.05498 
1 1 1 -29 13 1  o 196.4439 21.42243 1187.588       242.8128 1045.851       308.6601 1417.712       393.2973 180.0904 30.29855 208.4610 33.28870 -28.37062      45.01266 
1 1 1 -29 13 2  o 221.0858 21.82292 1503.762       279.2733 1378.899       313.2760 1987.105       616.3641 209.5750 26.04864 237.5995 45.89396 -28.02457      52.77108 
1 1 1 -29 13 3  o 370.2874 16.76844 4125.242       363.2067 3815.938       425.4645 4956.246       697.3843 353.8353 20.59170 394.9518 30.34004 -41.11642      36.66792 
1 1 1 -29 13 4  o 267.1517 36.27993 2358.031       553.7518 0.000000       0.000000 2358.031       553.7518 ?        ?        267.1517 36.27993 0.000000       36.27993 
1 1 1 -29 13 5  o 170.3955 24.58908 911.8372       238.6254 805.9858       267.0863 1330.610       531.2424 157.5597 29.99926 191.5255 47.52250 -33.96577      56.19914 
1 1 1 -29 13 6  o 159.1919 26.15262 805.2844       235.6955 806.2969       263.6982 801.2620       525.5775 157.6782 29.60263 148.1158 50.49430 9.562378       58.53196 
1 1 1 -29 13 7  o 187.4221 21.01133 1083.473       226.9823 1006.708       256.6928 1358.695       486.0414 178.7024 25.19052 196.1752 43.39679 -17.47285      50.17812 
1 1 1 -29 13 8  o 169.3223 20.91401 886.9292       203.2738 1063.073       248.9196 534.3116       352.1907 184.3658 23.55876 124.9415 41.32307 59.42425       47.56692 
1 1 1 -29 13 9  o 142.7953 25.41975 651.1051       205.0761 735.1581       257.3691 504.9278       339.4060 149.5591 30.38003 121.7212 40.57587 27.83797       50.68873 
1 1 1 -29 13 10 o 207.2239 17.88539 1308.783       215.2393 1368.685       269.0888 1202.379       358.6384 209.8573 22.19973 190.0835 33.38851 19.77382       40.09515 
1 1 1 -29 13 11 o 75.89513 29.16739 140.6294       182.5766 97.02401       221.2910 233.5944       323.1121 75.86087 31.11873 96.38447 38.28154 -20.52360      49.33408 
1 1 1 -29 13 12 o 42.17136 20.67893 -321.7791      174.1280 -241.1217      208.1011 -510.1101      317.9899 51.60374 24.63018 57.96665 28.32273 -6.362911      37.53429 
1 1 1 -29 13 13 o 228.3697 15.33599 1579.058       204.2094 1871.640       271.4024 1197.270       310.0280 246.7563 18.89784 191.4647 28.47519 55.29167       34.17550 
1 1 1 -29 13 14 o 99.42667 26.40030 327.1665       156.5088 386.7974       190.1693 201.9958       275.5217 107.1081 29.39015 88.95991 35.34446 18.14815       45.96751 
1 1 1 -29 13 15 o 144.9158 20.98803 664.1483       173.1897 771.0037       193.5058 233.9227       388.2791 155.9172 21.75301 98.06226 40.81567 57.85490       46.25055 
1 1 1 -29 13 16 o 191.3084 14.86283 1114.513       165.4504 970.7656       202.7966 1400.635       286.1118 175.8423 20.02084 208.9232 23.77299 -33.08092      31.08036 
1 1 1 -29 13 17 o 384.9993 14.05838 4489.494       316.8954 4538.063       390.3246 4395.570       542.7881 383.8709 17.38275 368.1469 25.29332 15.72406       30.69058 
1 1 1 -29 13 18 o 298.2717 11.38812 2670.066       198.8456 2670.326       255.3689 2669.666       316.9129 295.9981 14.75708 292.7816 18.55174 3.216431       23.70524 
1 1 1 -29 13 19 o 190.7426 14.83768 1114.948       164.6785 1132.439       199.3428 1077.357       292.2355 190.2952 18.07855 177.3273 29.10918 12.96793       34.26629 
1 1 1 -29 13 20 o 81.78098 26.92880 223.0859       149.6191 151.1969       176.3704 407.6254       282.5784 73.91540 28.59828 104.6182 36.94819 -30.70284      46.72292 
1 1 1 -29 13 21 o 115.9621 22.03165 442.9389       144.3585 354.4678       174.3585 635.7617       257.4079 100.3354 28.37171 131.0528 33.39834 -30.71749      43.82240 
1 1 1 -29 13 22 o 43.28410 20.48452 -131.7150      137.9765 -114.9513      168.7534 -165.5215      239.6443 49.97527 23.33443 57.96195 27.29862 -7.986679      35.91254 
1 1 1 -29 13 23 o 64.59938 25.62297 103.2273       144.5711 7.577781       183.0074 262.0047       235.7879 60.30109 26.57504 87.56031 33.26966 -27.25922      42.58055 
1 1 1 -29 13 24 o 199.7713 14.14453 1231.726       164.6473 1278.222       218.0909 1170.106       251.0691 199.7725 18.83687 186.9425 23.41195 12.82999       30.04908 
1 1 1 -29 13 25 o 46.40219 21.34641 -64.58054      133.5321 -129.4572      167.5330 48.42722       221.1110 48.27155 22.76234 66.96111 29.37047 -18.68957      37.15843 
1 1 1 -29 13 26 o 50.65544 22.55358 -13.26059      135.1591 -3.538693      170.2679 -29.82281      222.2371 56.82080 25.30531 61.63108 28.04273 -4.810280      37.77239 
1 1 1 -29 13 27 o 77.53991 25.97526 211.6295       139.0671 203.0115       174.6221 226.5729       229.9445 76.99979 28.76628 81.31008 32.29424 -4.310287      43.24832 
1 1 1 -29 13 28 o 100.5496 24.29714 359.7803       141.6697 253.3743       178.7769 539.3799       232.2635 82.67024 29.37024 115.5569 32.76949 -32.88664      44.00512 
1 1 1 -29 13 29 o 72.43938 26.18403 181.7310       142.7543 216.7411       184.2574 129.1620       225.7837 77.77232 29.44267 71.47964 30.50538 6.292679       42.39633 
1 1 1 -29 13 30 o 54.85702 23.81597 32.72201       142.2132 40.75548       187.0872 21.72699       218.8720 60.86196 26.84399 62.75026 28.26006 -1.888306      38.97731 
1 1 1 -29 13 31 o 97.65827 25.35723 353.4454       146.4991 398.9426       189.0640 285.0814       231.7557 99.65271 29.94339 84.16576 32.72221 15.48695       44.35481 
1 1 1 -29 13 32 o 86.12783 26.25813 282.6608       144.6526 289.3343       178.1676 269.7543       247.7736 85.09291 29.38643 82.02066 33.19559 3.072250       44.33406 
1 1 1 -29 13 33 o 63.04062 24.68808 124.2948       132.7005 208.3490       157.6488 -80.04054      245.8003 74.57384 27.42964 58.68461 27.64146 15.88923       38.94143 
1 1 1 -29 13 34 o 33.23177 16.67281 -350.3037      141.2877 -536.1367      173.8009 11.80518       242.6108 33.81920 17.14830 62.83495 28.85724 -29.01574      33.56791 
1 1 1 -29 14 1  o 362.3782 13.95709 3924.043       296.0703 3630.437       384.1591 4353.558       464.6415 345.7789 19.01680 377.2848 21.08284 -31.50589      28.39234 
1 1 1 -29 14 2  o 317.0240 24.30170 3120.145       448.3897 0.000000       0.000000 3120.145       448.3897 ?        ?        317.0240 24.30170 0.000000       24.30170 
1 1 1 -29 14 3  o 366.8255 16.61204 4053.125       356.4548 3884.499       419.4847 4491.210       676.1347 356.9027 20.12234 374.1950 31.09007 -17.29236      37.03378 
1 1 1 -29 14 4  o 611.2296 27.37707 11734.69       978.8998 0.000000       0.000000 11734.69       978.8998 ?        ?        611.2296 27.37707 0.000000       27.37707 
1 1 1 -29 14 5  f 191.8357 22.65689 1144.386       249.9933 1240.478       281.2112 782.2416       545.9188 198.8217 24.64393 145.8325 51.36850 52.98918       56.97409 
1 1 1 -29 14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 14 7  o 160.0816 22.53284 801.8722       205.7010 1047.668       249.8800 285.1385       362.3075 182.6629 23.89806 103.4616 40.71057 79.20133       47.20665 
1 1 1 -29 14 8  o 293.7902 14.18856 2588.348       243.7475 2896.592       321.3257 2170.586       374.0790 308.8922 17.81287 263.2294 24.51317 45.66284       30.30171 
1 1 1 -29 14 9  o 120.1437 26.90400 470.7278       184.8448 624.9003       218.0842 77.41364       348.3299 138.4486 27.82497 87.65189 37.65844 50.79669       46.82293 
1 1 1 -29 14 10 o 71.73393 27.60409 123.1225       163.6782 154.4154       189.8622 32.55959       322.9916 78.01955 29.80383 82.13383 35.77219 -4.114288      46.56091 
1 1 1 -29 14 11 o 171.1457 17.56774 898.0011       173.8320 916.5488       205.3961 851.1785       326.3434 171.4399 20.85683 156.3031 36.29797 15.13680       41.86347 
1 1 1 -29 14 12 o 62.79468 25.84800 58.00272       153.3600 206.3010       176.7916 -392.8610      308.2592 82.66660 29.22232 60.13035 29.02818 22.53625       41.18956 
1 1 1 -29 14 13 o 80.66537 27.21169 203.4099       152.6060 413.6245       180.3108 -327.3706      286.5153 111.2018 27.74079 59.37127 28.48801 51.83050       39.76328 
1 1 1 -29 14 14 o 114.6983 23.60115 428.2588       153.4616 501.4377       182.1481 249.2505       284.8842 123.1561 26.03405 93.01100 36.24599 30.14512       44.62672 
1 1 1 -29 14 15 o 165.1573 18.38675 849.1102       175.0796 997.4205       196.6628 282.4985       384.3963 178.7697 19.05078 100.0698 41.02762 78.69990       45.23491 
1 1 1 -29 14 16 o 364.7499 13.69265 4023.864       292.3893 4112.025       356.3031 3842.074       511.6401 366.0926 16.63853 343.7241 25.56376 22.36856       30.50158 
1 1 1 -29 14 17 o 298.9282 17.87780 2770.729       311.9915 0.000000       0.000000 2770.729       311.9915 ?        ?        298.9282 17.87780 0.000000       17.87780 
1 1 1 -29 14 18 o 215.8383 23.84572 1517.176       296.8220 0.000000       0.000000 1517.176       296.8220 ?        ?        215.8383 23.84572 0.000000       23.84572 
1 1 1 -29 14 19 o 40.63379 19.58982 -187.3413      139.2563 -131.2835      164.6753 -328.0535      260.9014 48.58664 22.80335 54.58383 26.43627 -5.997185      34.91231 
1 1 1 -29 14 20 o 45.39175 21.25449 -111.4853      141.6602 -58.34879      165.0440 -260.1665      276.0775 53.21033 24.19370 58.89708 28.18136 -5.686749      37.14195 
1 1 1 -29 14 21 o 245.0005 12.31979 1819.515       176.4513 1823.989       227.8248 1812.808       278.9442 242.5312 16.10835 238.1924 20.15728 4.338776       25.80300 
1 1 1 -29 14 22 o 108.2728 23.30257 395.7780       143.5831 387.1928       175.1461 413.3716       250.7285 104.2682 28.03740 103.8783 34.87879 0.3899307      44.75071 
1 1 1 -29 14 23 o 44.30425 20.95682 -130.1652      144.0710 -89.14981      178.3818 -207.1140      244.3309 52.71789 24.40116 56.13135 26.76259 -3.413456      36.21675 
1 1 1 -29 14 24 o 117.6307 22.27281 466.3190       148.0302 506.6904       187.5126 399.5425       241.1599 118.8791 27.44981 100.7950 34.20646 18.08414       43.85856 
1 1 1 -29 14 25 o 75.83313 25.80077 197.1387       137.2098 259.7623       169.1025 76.45417       234.7509 84.82317 28.64472 70.04671 30.50244 14.77646       41.84398 
1 1 1 -29 14 26 o 74.17448 26.51558 186.6131       145.9308 337.8258       188.4671 -39.77803      230.6062 94.26653 30.16227 61.74782 28.27461 32.51870       41.34266 
1 1 1 -29 14 27 o 59.92450 24.56982 80.51678       137.8673 70.29579       172.3649 98.66942       229.7061 62.71318 26.70530 70.28819 30.39221 -7.575008      40.45812 
1 1 1 -29 14 28 o 95.20521 26.82220 337.1286       156.1288 523.8220       181.9139 -184.9738      304.2139 119.6517 26.61135 61.79009 29.57019 57.86166       39.78141 
1 1 1 -29 14 29 o 126.1667 21.11404 542.5423       150.7149 636.1848       193.7789 399.1619       239.7810 132.4032 25.88305 96.76640 34.04742 35.63681       42.76867 
1 1 1 -29 14 30 o 104.3961 23.91331 392.0468       143.2584 405.8285       182.9721 370.2156       230.2887 101.4959 29.18410 93.29521 33.31386 8.200653       44.28911 
1 1 1 -29 14 31 o 100.8948 24.33974 371.4886       142.3511 256.2299       180.9135 558.8468       230.6590 81.20635 29.45936 115.1933 32.65263 -33.98698      43.97781 
1 1 1 -29 14 32 o 72.76321 26.40741 193.7078       145.3906 128.3700       180.1819 315.6399       246.1433 66.75428 27.79599 85.69188 33.60442 -18.93760      43.61048 
1 1 1 -29 14 33 o 109.7663 22.50358 430.4937       139.9987 552.2366       164.0891 104.7703       268.3999 123.7616 23.46549 70.05694 31.44377 53.70465       39.23442 
1 1 1 -29 14 34 o 81.49702 26.52710 258.8313       145.3761 265.8702       176.3738 243.9156       256.7456 81.02784 29.12830 78.51705 32.97090 2.510788       43.99475 
1 1 1 -29 15 1  o 195.7290 20.92908 1182.653       236.5214 1389.045       286.7388 743.2529       418.3798 210.9185 23.58364 143.5411 44.81500 67.37740       50.64161 
1 1 1 -29 15 2  o 115.4230 30.71771 441.6492       211.5806 471.1110       252.6926 372.5505       386.9879 118.2804 34.38300 111.5428 42.56476 6.737518       54.71700 
1 1 1 -29 15 3  o 182.3894 21.22879 1030.411       222.8391 691.1494       262.5863 1903.563       421.2589 144.1270 31.90874 242.7287 30.24665 -98.60175      43.96621 
1 1 1 -29 15 4  o 335.1130 23.79004 3493.260       464.5196 0.000000       0.000000 3493.260       464.5196 ?        ?        335.1130 23.79004 0.000000       23.79004 
1 1 1 -29 15 5  f 111.3549 29.84871 410.2938       198.8902 390.6883       233.1758 462.6469       381.0357 108.4223 33.39179 118.2429 42.77320 -9.820648      54.26379 
1 1 1 -29 15 6  o 160.3598 21.96811 803.9336       201.1789 949.7614       238.5914 445.2085       374.2102 173.4791 24.10077 116.3740 42.34662 57.10512       48.72456 
1 1 1 -29 15 7  o 258.4781 24.88686 2103.855       372.6053 0.000000       0.000000 2103.855       372.6053 ?        ?        258.4781 24.88686 0.000000       24.88686 
1 1 1 -29 15 8  o 64.45541 27.15340 39.31305       175.0216 38.57573       202.7225 41.47150       346.8549 68.32865 29.02416 84.97523 37.03899 -16.64658      47.05623 
1 1 1 -29 15 9  o 145.6292 20.81662 664.1094       172.7385 695.7197       203.3899 582.2966       327.2091 147.4735 24.36627 127.8096 39.58935 19.66393       46.48690 
1 1 1 -29 15 10 o 123.0859 23.36874 486.5847       162.5240 391.2298       190.5216 741.4002       311.4481 108.0346 29.32485 144.9773 36.62388 -36.94270      46.91754 
1 1 1 -29 15 11 o 57.37342 24.81376 3.848863       153.1921 -74.95582      177.2974 235.9916       304.3013 55.32013 25.12263 93.78535 37.18222 -38.46522      44.87387 
1 1 1 -29 15 12 o 141.2856 19.64761 625.7391       158.4024 577.5126       187.2501 747.0942       297.0356 133.1495 24.89407 145.3768 35.21509 -12.22733      43.12560 
1 1 1 -29 15 13 o 120.9264 21.85931 469.4487       149.3226 494.7368       173.7575 398.0240       292.0178 122.7056 24.99490 106.9512 37.57815 15.75443       45.13161 
1 1 1 -29 15 14 o 236.1286 13.47319 1685.457       185.8075 1707.455       240.0245 1652.562       293.5160 235.2703 17.52134 228.0808 22.22438 7.189499       28.30054 
1 1 1 -29 15 15 o 245.6640 13.34461 1825.679       191.5421 1815.821       246.8624 1840.592       303.6264 242.3699 17.48456 240.7221 21.74075 1.647736       27.89928 
1 1 1 -29 15 16 o 198.1208 37.31218 1442.700       417.6403 0.000000       0.000000 1442.700       417.6403 ?        ?        198.1208 37.31218 0.000000       37.31218 
1 1 1 -29 15 17 o 92.49538 25.12918 288.8912       139.8304 360.4462       167.4770 124.2154       254.0680 102.3252 27.37338 78.48726 32.86787 23.83791       42.77381 
1 1 1 -29 15 18 o 169.1624 15.55919 883.6454       152.6343 794.4529       185.3689 1071.449       268.9832 157.4427 20.56657 178.5514 26.48876 -21.10870      33.53563 
1 1 1 -29 15 19 o 154.8063 18.64605 759.1107       165.8831 831.6028       205.6070 623.9359       280.7635 159.4726 22.61746 127.7979 35.95596 31.67477       42.47800 
1 1 1 -29 15 20 o 46.80804 21.63395 -82.75210      139.4613 -65.06689      165.3899 -126.2682      259.4353 52.67780 24.05454 62.49408 29.09718 -9.816280      37.75270 
1 1 1 -29 15 21 o 49.45337 22.49719 -53.23643      142.9410 21.97267       171.1619 -226.5935      259.8619 59.97483 26.08193 57.70459 27.53691 2.270237       37.92820 
1 1 1 -29 15 22 o 75.30588 26.67205 186.1706       147.3393 170.0606       179.5596 219.3745       257.7840 75.00342 28.89920 84.09547 33.92237 -9.092056      44.56334 
1 1 1 -29 15 23 o 145.0202 17.86280 672.9259       148.7180 644.9509       182.7226 727.8235       255.9672 138.0253 23.40819 138.9473 32.06256 -0.9219666     39.69825 
1 1 1 -29 15 24 f 66.97778 25.66105 131.5753       141.0213 228.9504       175.8163 -44.08143      236.1388 80.93816 29.08395 62.57780 28.63854 18.36036       40.81718 
1 1 1 -29 15 25 o 66.48026 25.91821 126.7015       145.7160 164.3065       182.5595 60.68392       241.8868 73.33218 28.88502 69.28580 30.54283 4.046379       42.03818 
1 1 1 -29 15 26 o 53.41256 23.53732 6.100504       143.5332 -31.42627      178.0410 75.77076       242.5902 55.53009 25.20112 69.90729 30.71016 -14.37720      39.72669 
1 1 1 -29 15 27 o 74.36613 32.50285 124.1900       268.6677 445.2457       473.9246 -27.85189      326.1374 97.51883 42.87907 70.23370 32.67482 27.28513       53.90973 
1 1 1 -29 15 28 o 180.1660 18.36208 1061.048       191.3105 887.0565       215.2576 1715.113       417.3537 159.3862 23.75232 202.7559 36.43710 -43.36969      43.49523 
1 1 1 -29 15 29 o 111.4649 23.42226 441.1402       148.2413 477.0263       183.7148 374.1702       250.9695 111.7037 28.07843 93.05839 34.54032 18.64529       44.51328 
1 1 1 -29 15 30 o 153.5066 16.49246 762.1154       146.1524 893.5306       184.4563 540.4489       239.5635 163.2632 19.65955 112.0518 33.71428 51.21141       39.02756 
1 1 1 -29 15 31 o 51.36840 22.94798 -0.1990689     141.1577 -124.4225      178.5620 206.7774       230.4878 48.77080 23.14614 76.30031 31.57499 -27.52951      39.15002 
1 1 1 -29 15 32 o 149.2450 17.35057 733.6461       149.0395 854.5571       183.1449 496.5815       256.4456 158.2556 20.19191 103.1148 35.26852 55.14075       40.63966 
1 1 1 -29 15 33 o 171.8223 15.72505 954.0887       156.7059 968.1953       188.5726 922.6050       281.7152 169.2266 19.34758 147.1553 33.40864 22.07124       38.60656 
1 1 1 -29 16 1  o 145.9735 24.46629 679.2365       202.0511 685.5594       233.0501 660.0981       405.4541 144.7422 28.46870 134.9464 44.32435 9.795731       52.67936 
1 1 1 -29 16 2  o 181.1058 21.90458 1023.560       227.9362 1056.686       246.0229 822.7908       605.6739 183.2820 23.42238 145.7944 53.74046 37.48761       58.62291 
1 1 1 -29 16 3  f 178.3495 49.97071 1232.039       543.4726 0.000000       0.000000 1232.039       543.4726 ?        ?        178.3495 49.97071 0.000000       49.97071 
1 1 1 -29 16 4  o 303.0669 23.96167 2878.192       422.4353 0.000000       0.000000 2878.192       422.4353 ?        ?        303.0669 23.96167 0.000000       23.96167 
1 1 1 -29 16 5  o 341.7640 13.56416 3501.217       271.3354 3242.056       357.2420 3854.560       417.1346 325.6176 18.78676 354.0354 20.17345 -28.41782      27.56647 
1 1 1 -29 16 6  o 204.6053 16.84696 1275.530       200.3676 1312.508       239.6510 1189.645       365.2303 205.9677 20.09471 186.9752 34.58015 18.99255       39.99480 
1 1 1 -29 16 7  o 129.3597 23.98330 537.7866       175.2545 819.6182       205.4453 -215.3451      335.8433 161.2072 22.32888 70.49125 32.91530 90.71595       39.77431 
1 1 1 -29 16 8  o 205.0145 29.60160 1384.430       345.6234 0.000000       0.000000 1384.430       345.6234 ?        ?        205.0145 29.60160 0.000000       29.60160 
1 1 1 -29 16 9  o 107.1467 26.47638 380.2687       165.4004 458.9196       193.1948 164.3878       320.0742 117.0201 28.43393 89.42650 37.12579 27.59356       46.76337 
1 1 1 -29 16 10 o 103.3021 25.83458 353.3152       156.0982 360.1343       179.7953 332.4401       314.5782 103.4247 28.65489 102.0486 38.50694 1.376106       47.99882 
1 1 1 -29 16 11 o 261.0686 13.06569 2051.554       199.4137 2230.933       251.1942 1745.839       327.9308 270.6159 15.89728 233.5078 24.30093 37.10806       29.03892 
1 1 1 -29 16 12 o 41.41139 19.79560 -164.7655      135.5146 -209.3336      155.2069 -21.80257      277.9781 43.07217 20.74419 72.20313 32.23291 -29.13096      38.33121 
1 1 1 -29 16 13 o 187.7611 15.61538 1079.849       170.3976 1088.828       208.7434 1061.916       294.9962 186.4527 19.37148 177.1854 29.41953 9.267380       35.22446 
1 1 1 -29 16 14 o 193.7559 14.40639 1144.083       162.5331 1270.782       197.4022 877.4015       286.3923 202.9478 16.73361 158.3731 31.93756 44.57472       36.05581 
1 1 1 -29 16 15 o 245.7921 12.69476 1825.173       182.3765 1844.179       230.2545 1793.174       298.7640 244.8938 16.12137 237.0757 21.72916 7.818146       27.05651 
1 1 1 -29 16 16 o 213.1552 13.43904 1380.636       167.1469 1407.315       205.0119 1327.743       288.6651 213.3379 16.51402 200.6898 25.07090 12.64816       30.02104 
1 1 1 -29 16 17 o 109.2971 24.30093 401.3243       151.7376 518.4811       181.9547 133.8047       274.9523 123.6246 25.92558 80.47427 33.97467 43.15034       42.73656 
1 1 1 -29 16 18 o 139.8468 18.11821 618.3987       145.1104 446.9713       170.8780 1061.735       274.7973 114.2314 26.08159 176.4896 27.43987 -62.25821      37.85757 
1 1 1 -29 16 19 o 110.3825 23.18557 407.6913       145.3134 489.6378       174.6317 223.2206       262.0123 119.7021 25.64723 85.96643 34.36375 33.73572       42.87946 
1 1 1 -29 16 20 o 61.57383 25.27354 73.70656       146.0802 106.5551       181.8603 13.96700       245.2510 68.97127 28.24217 68.38100 30.41711 0.5902710      41.50688 
1 1 1 -29 16 21 o 164.4334 16.79772 851.2149       159.7177 898.6156       200.2429 768.3234       264.8013 165.8846 21.05638 143.8191 32.19799 22.06557       38.47182 
1 1 1 -29 16 22 f 58.28765 24.66423 48.30426       145.4493 22.43040       178.7082 99.07594       250.3367 60.40678 26.45253 73.57787 31.77090 -13.17109      41.34158 
1 1 1 -29 16 23 o 127.2724 20.73533 536.3657       149.4496 418.4923       185.7582 752.6784       251.6409 106.4097 28.98605 141.8949 31.09904 -35.48521      42.51284 
1 1 1 -29 16 24 o 136.8702 19.58205 613.8995       152.7135 796.5626       189.7309 277.8454       257.3459 154.5749 21.51102 87.39092 34.33366 67.18395       40.51573 
1 1 1 -29 16 25 f 199.3223 14.49407 1239.341       168.2747 1211.733       213.4186 1284.709       273.5862 192.9200 19.11374 192.4894 24.81111 0.4306488      31.31974 
1 1 1 -29 16 26 o 70.85179 26.38266 165.7398       146.6446 102.1612       181.0094 287.1666       250.1513 66.28503 27.74923 86.61939 33.90388 -20.33436      43.81202 
1 1 1 -29 16 27 o 142.4852 18.77419 668.3915       153.0714 708.4000       193.6452 601.7538       249.9143 142.0251 24.10945 120.1917 33.96055 21.83341       41.64834 
1 1 1 -29 16 28 o 103.6300 24.51091 388.2475       146.6184 326.7622       179.5721 511.2102       253.9451 91.18085 29.46718 107.9601 35.05421 -16.77926      45.79424 
1 1 1 -29 16 29 o 152.6675 17.15369 758.5280       150.9330 586.8804       186.8488 1080.845       256.0432 126.2875 26.09142 172.2266 26.17163 -45.93909      36.95560 
1 1 1 -29 16 30 o 85.85710 25.71438 277.3422       139.6002 311.2235       168.1544 202.2046       250.4131 88.84911 28.49680 76.85207 32.43313 11.99705       43.17378 
1 1 1 -29 16 31 o 58.33866 24.50208 75.62827       141.8311 57.27826       178.5201 107.0345       233.5485 60.38535 26.44099 68.44638 30.09822 -8.061035      40.06281 
1 1 1 -29 16 32 o 50.22384 22.52622 -4.377542      137.4836 74.31902       162.4517 -203.0066      258.0880 60.10188 25.76790 54.73878 26.45860 5.363091       36.93295 
1 1 1 -29 16 33 o 128.5615 21.87822 584.1876       159.0549 621.7004       188.7483 492.2946       295.4159 128.3572 25.96627 98.04719 37.24300 30.31002       45.40142 
1 1 1 -29 17 1  o 84.95016 30.37926 216.4205       191.5764 109.4278       218.1220 577.4828       400.6947 76.07994 31.01468 126.1235 44.04041 -50.04360      53.86527 
1 1 1 -29 17 2  o 124.2295 27.44209 509.5030       194.5958 439.7618       221.4710 745.6819       407.5612 113.6744 31.91746 140.9117 44.26657 -27.23731      54.57338 
1 1 1 -29 17 3  o 241.1785 17.37114 1776.558       244.0609 1808.806       268.4300 1622.755       586.2272 242.4103 19.03375 203.6385 49.56115 38.77179       53.09040 
1 1 1 -29 17 4  o 251.0505 15.43447 1909.190       226.1512 1684.229       269.1097 2449.972       417.2410 233.3071 19.85606 276.7680 26.01004 -43.46088      32.72285 
1 1 1 -29 17 5  o 213.6457 16.95515 1394.760       210.7038 1594.742       257.0175 984.8956       367.9485 227.1029 19.48513 165.8276 38.56496 61.27531       43.20794 
1 1 1 -29 17 6  o 261.1106 14.54154 2059.790       221.8026 2240.463       279.5089 1752.539       364.4992 270.4591 17.71911 232.4198 27.25808 38.03932       32.51107 
1 1 1 -29 17 7  o 59.61173 26.06022 -6.741991      172.8015 105.6797       202.1322 -312.0001      333.0765 73.54755 29.90329 65.82152 31.34470 7.726036       43.32086 
1 1 1 -29 17 8  o 48.01030 22.27036 -106.7080      149.8009 -100.7287      170.2802 -127.1774      315.0585 52.23323 24.05662 71.32955 32.80471 -19.09632      40.68010 
1 1 1 -29 17 9  o 61.14583 25.33566 52.61338       148.6560 216.9968       169.0191 -508.9469      312.3957 83.01419 28.62407 56.53719 27.71806 26.47700       39.84505 
1 1 1 -29 17 10 o 304.7148 12.37663 2789.183       220.7199 2880.910       283.6147 2648.304       351.4825 307.4213 15.78340 290.7321 20.75032 16.68921       26.07089 
1 1 1 -29 17 11 o 228.4278 14.82513 1588.236       197.5358 1872.113       243.6635 1043.951       337.3944 246.7252 16.94223 171.4320 34.74915 75.29320       38.65931 
1 1 1 -29 17 12 f 88.45014 27.66583 261.9012       159.3687 307.6690       187.6330 143.3798       301.9447 94.89233 30.06526 84.64410 35.66205 10.24824       46.64441 
1 1 1 -29 17 13 o 302.8391 12.26834 2761.680       217.4444 3092.882       288.5849 2326.673       330.7316 318.0440 15.51847 271.1927 20.95691 46.85135       26.07710 
1 1 1 -29 17 14 o 124.5912 45.89526 647.1591       441.6254 0.000000       0.000000 647.1591       441.6254 ?        ?        124.5912 45.89526 0.000000       45.89526 
1 1 1 -29 17 15 o 156.7211 43.99993 1015.969       420.9067 0.000000       0.000000 1015.969       420.9067 ?        ?        156.7211 43.99993 0.000000       43.99993 
1 1 1 -29 17 16 o 101.0423 41.31937 345.5133       388.6217 0.000000       0.000000 345.5133       388.6217 ?        ?        101.0423 41.31937 0.000000       41.31937 
1 1 1 -29 17 17 o 132.7893 18.90888 561.9188       143.1020 527.2241       167.8376 654.2945       273.8648 125.8793 23.60129 131.8783 34.87896 -5.999001      42.11369 
1 1 1 -29 17 18 o 127.8280 19.55691 525.5602       141.9601 504.8198       166.2401 581.4161       272.8106 122.6394 23.97255 122.8666 35.72818 -0.2272339     43.02541 
1 1 1 -29 17 19 o 142.8090 19.35792 655.2379       157.9598 682.9821       197.1855 605.5457       263.8962 142.3199 24.50852 125.5987 34.68398 16.72123       42.46935 
1 1 1 -29 17 20 o 137.6797 19.52545 613.0298       153.2429 592.5356       189.5871 651.6556       260.2749 131.1768 25.56252 130.5754 33.74550 0.6014099      42.33440 
1 1 1 -29 17 21 o 118.6569 22.67594 475.1409       152.0497 512.1578       189.8200 408.8642       253.9930 119.6524 27.61101 101.7635 35.08927 17.88890       44.65002 
1 1 1 -29 17 22 o 89.10360 26.28540 283.1545       146.7478 329.5253       182.6125 198.6173       246.5657 94.23820 29.63458 80.67197 32.94155 13.56624       44.30975 
1 1 1 -29 17 23 o 151.4813 17.61339 735.5240       153.5631 726.4969       190.2388 752.4063       260.1611 146.4811 22.89337 140.0921 32.32234 6.388962       39.60858 
1 1 1 -29 17 24 o 145.7312 18.10400 687.0959       151.4050 802.5272       184.7072 450.6960       264.3295 155.4330 20.78269 103.6950 35.79436 51.73804       41.39029 
1 1 1 -29 17 25 o 76.39237 26.81394 205.6135       148.6568 217.8701       181.6607 180.7684       258.6411 78.54000 29.34058 78.12816 32.96614 0.4118423      44.13203 
1 1 1 -29 17 26 o 153.3543 17.89600 765.0627       157.9324 920.1431       197.1851 487.5665       263.7693 165.6420 20.75217 105.7426 35.77494 59.89942       41.35818 
1 1 1 -29 17 27 o 81.23302 26.33567 243.8448       143.3650 262.0533       177.8412 210.0493       242.2835 82.89661 29.30845 78.47720 32.41454 4.419411       43.69997 
1 1 1 -29 17 28 o 152.5712 17.12417 756.6042       150.5844 811.3685       188.2100 659.1865       251.0229 154.0404 21.41130 125.4413 33.49251 28.59909       39.75163 
1 1 1 -29 17 29 o 150.2621 17.34181 738.0490       150.0244 642.9637       184.1924 925.4573       258.5888 133.8461 24.36195 154.7642 29.56750 -20.91811      38.31111 
1 1 1 -29 17 30 o 146.5835 17.79304 709.8835       149.8342 707.3486       183.2927 714.9895       260.1343 141.4589 22.87378 128.6109 33.98333 12.84796       40.96433 
1 1 1 -29 17 31 o 51.26330 23.03530 -4.723917      144.5100 64.02798       182.9603 -118.7513      235.6238 61.23082 26.79057 55.85902 26.53276 5.371796       37.70572 
1 1 1 -29 17 32 o 170.2549 17.47991 957.2549       172.0615 921.7000       213.5981 1022.965       290.3779 160.3838 23.39724 156.2591 32.73594 4.124741       40.23770 
1 1 1 -29 18 1  o 60.68559 26.06360 17.25669       166.7433 8.936797       186.4848 50.42921       372.3693 62.97250 27.30612 86.38131 37.99414 -23.40881      46.78866 
1 1 1 -29 18 2  f 168.8183 18.12890 881.1210       176.6817 851.9827       199.5472 986.8550       380.1204 164.4709 21.17843 164.0898 39.89214 0.3810883      45.16535 
1 1 1 -29 18 3  o 269.9133 13.41973 2193.462       211.7652 2252.819       255.3879 2062.844       378.8511 272.0210 16.08012 253.0168 25.89595 19.00412       30.48230 
1 1 1 -29 18 4  o 117.4153 23.59584 447.6653       156.8408 488.6281       173.9913 270.0727       362.2804 122.0676 25.14138 99.15693 40.13663 22.91066       47.36072 
1 1 1 -29 18 5  o 238.9748 14.30267 1728.235       199.5392 1521.012       239.0595 2204.236       362.3183 221.8026 18.54725 263.1646 23.73001 -41.36198      30.11834 
1 1 1 -29 18 6  o 167.8146 19.04812 877.9583       184.1577 905.1552       216.9567 807.8500       348.3361 168.5150 22.51540 147.4405 39.49323 21.07448       45.46051 
1 1 1 -29 18 7  o 165.8586 19.42928 860.9844       185.4147 924.9637       218.9609 698.8408       348.5756 170.2415 22.47941 135.8173 40.62288 34.42419       46.42781 
1 1 1 -29 18 8  o 171.6806 18.20893 916.2264       180.5473 1001.280       214.0716 706.6535       336.0322 178.0037 20.90384 136.8876 39.60767 41.11604       44.78547 
1 1 1 -29 18 9  o 153.7063 17.92435 735.8148       158.5503 680.1986       180.8122 920.8729       329.8232 145.7200 21.82828 159.4559 36.11048 -13.73595      42.19527 
1 1 1 -29 18 10 o 64.58051 25.15642 99.48792       137.1841 115.5434       153.5698 36.06580       305.2214 68.41158 26.62559 77.96053 34.34029 -9.548950      43.45316 
1 1 1 -29 18 11 o 158.1429 17.70346 779.6880       161.3799 837.3424       189.0183 624.6433       309.9676 162.5030 20.27288 128.3042 38.29095 34.19873       43.32651 
1 1 1 -29 18 12 o 162.2881 17.45135 820.6619       163.4917 887.1636       196.9298 673.1689       293.2791 166.9794 20.54177 134.2969 36.35395 32.68243       41.75613 
1 1 1 -29 18 13 o 46.45865 21.58978 -98.69763      141.7684 -112.2958      163.7709 -58.04379      283.1696 49.69727 23.13201 69.59751 31.66245 -19.90024      39.21225 
1 1 1 -29 18 14 o 98.43063 24.96803 328.2350       144.3309 340.4451       168.9251 295.2201       277.7715 99.02151 27.90055 94.01962 36.01616 5.001892       45.55880 
1 1 1 -29 18 15 o 141.0340 20.04708 637.6610       161.1507 821.8015       193.5233 221.1689       291.0463 159.6184 21.19625 87.97881 35.84079 71.63959       41.63944 
1 1 1 -29 18 16 o 128.0180 44.04920 706.4206       400.1952 0.000000       0.000000 706.4206       400.1952 ?        ?        128.0180 44.04920 0.000000       44.04920 
1 1 1 -29 18 17 o 166.3486 18.00053 873.9364       172.8179 722.4561       188.4637 1674.307       433.2067 148.3022 22.36320 210.8795 36.33920 -62.57730      42.66907 
1 1 1 -29 18 18 o 127.2492 19.69854 523.8321       142.2616 512.8392       168.6568 550.9412       264.8538 123.0698 24.22980 118.9798 35.36744 4.089989       42.87119 
1 1 1 -29 18 19 o 139.4352 18.39178 622.5258       146.7359 467.0465       178.7186 944.1430       257.0414 115.0702 26.95739 164.3392 27.64995 -49.26903      38.61633 
1 1 1 -29 18 20 o 152.2607 18.12509 742.1974       158.6788 824.3862       203.7613 615.5471       252.9406 156.9430 22.80438 125.9740 33.61365 30.96901       40.61917 
1 1 1 -29 18 21 o 142.1198 18.86075 653.9205       153.3270 690.9581       190.7764 586.3517       257.6773 142.5272 23.65189 121.2871 34.55622 21.24014       41.87534 
1 1 1 -29 18 22 o 64.74592 26.06064 105.8909       151.7850 102.7454       191.5518 111.1986       248.8256 68.18421 28.54519 73.60454 31.72794 -5.420326      42.67892 
1 1 1 -29 18 23 o 62.93480 25.69087 93.68762       149.9130 163.8844       183.5338 -47.03398      259.8592 73.15038 28.91582 64.42411 29.68819 8.726273       41.44289 
1 1 1 -29 18 24 o 73.57126 27.32368 182.3897       157.0969 346.1094       196.8797 -104.5343      260.6356 94.26460 30.88257 61.24605 28.72678 33.01855       42.17773 
1 1 1 -29 18 25 o 154.8100 17.50138 775.7188       156.1163 715.5742       193.9163 886.5066       263.1857 143.1097 23.95000 152.3173 30.52627 -9.207596      38.80020 
1 1 1 -29 18 26 o 85.60565 27.10528 274.7851       152.5279 388.4519       192.5925 83.53490       249.8177 98.91542 30.32583 69.74100 30.87783 29.17442       43.27929 
1 1 1 -29 18 27 o 229.6343 12.65954 1633.543       169.8327 1609.755       220.1662 1668.496       266.8774 223.3347 16.93532 222.5314 20.68576 0.8033142      26.73398 
1 1 1 -29 18 28 o 137.1906 20.00025 635.4897       156.1878 664.9987       196.9786 585.5200       256.3276 134.7618 25.86335 115.3191 34.91253 19.44271       43.44880 
1 1 1 -29 18 29 f 81.97226 26.19431 254.8394       142.1770 310.6360       172.0988 134.8984       252.3235 88.27074 28.87098 71.82763 31.44351 16.44311       42.68756 
1 1 1 -29 18 30 o 44.42566 21.02407 -106.7951      145.3177 -231.2338      175.9957 159.7908       257.5981 43.34687 21.15584 73.30312 31.93593 -29.95626      38.30761 
1 1 1 -29 18 31 o 51.69690 23.47003 -16.67558      154.5932 -146.9050      194.2515 208.2941       255.3124 49.54296 23.68752 76.32791 32.50237 -26.78495      40.21819 
1 1 1 -29 18 32 o 94.76022 28.17145 363.6000       168.0337 382.8253       202.5667 321.1847       300.8806 93.73248 31.34880 83.93280 35.49289 9.799675       47.35496 
1 1 1 -29 19 1  o 47.83715 22.59217 -158.6483      166.2022 -59.67252      189.5995 -487.0682      345.3722 58.00871 26.19734 61.02369 29.75084 -3.014984      39.64106 
1 1 1 -29 19 2  o 105.4948 26.47587 373.1794       163.5281 312.1199       186.8647 572.8654       337.9279 96.01263 29.94639 123.4767 40.46033 -27.46407      50.33711 
1 1 1 -29 19 3  o 266.0218 14.94586 2150.898       232.2409 2180.142       260.7307 2038.590       510.9470 266.6331 16.75829 238.1094 37.85456 28.52368       41.39816 
1 1 1 -29 19 4  o 129.8340 24.30905 551.6900       178.2991 674.5327       190.9729 -282.7547      497.7322 144.4177 23.34359 82.01123 38.84024 62.40649       45.31542 
1 1 1 -29 19 5  o 135.9180 19.91764 584.5100       154.0588 564.9831       173.8873 655.7811       332.2064 131.8683 23.33801 131.5645 39.72721 0.3038177      46.07509 
1 1 1 -29 19 6  o 77.01161 26.47474 185.5430       144.5535 88.34798       160.1071 614.1445       336.2138 66.20227 26.72354 126.8599 40.25189 -60.65764      48.31524 
1 1 1 -29 19 7  o 45.45793 21.50134 -149.1525      151.6156 -59.31495      170.0946 -496.5300      334.4741 54.61829 24.72547 59.12964 28.92435 -4.511349      38.05215 
1 1 1 -29 19 8  o 92.78028 27.33375 291.4390       158.7744 353.5522       180.9019 83.11076       331.3029 101.2879 28.98524 82.96718 36.18083 18.32069       46.35943 
1 1 1 -29 19 9  o 103.8878 24.49010 360.2148       146.7607 341.8020       163.9521 434.4598       329.2236 100.0787 27.21925 108.7955 39.69989 -8.716728      48.13490 
1 1 1 -29 19 10 o 173.3806 33.81488 1074.386       331.4879 0.000000       0.000000 1074.386       331.4879 ?        ?        173.3806 33.81488 0.000000       33.81488 
1 1 1 -29 19 11 o 146.2572 19.19915 677.4126       160.7106 606.4929       185.9881 886.4239       319.2910 135.3647 24.32160 154.8020 35.87180 -19.43729      43.33966 
1 1 1 -29 19 12 o 196.0746 14.29856 1175.321       163.2934 1338.063       198.1312 830.6786       288.3283 207.9799 16.37557 151.5312 33.34998 56.44864       37.15347 
1 1 1 -29 19 13 o 113.8572 22.28197 426.7022       143.4573 397.5579       170.7249 496.7140       264.6094 107.2370 27.12976 114.7326 35.61189 -7.495628      44.76863 
1 1 1 -29 19 14 o 226.7776 13.86585 1569.766       183.5339 1705.417       241.3274 1383.673       282.6572 233.5328 17.75312 205.1303 23.94509 28.40253       29.80839 
1 1 1 -29 19 15 o 207.8792 14.66851 1328.007       177.6847 1321.700       222.4121 1339.133       295.4194 204.4713 18.75582 199.6569 25.83427 4.814407       31.92476 
1 1 1 -29 19 16 o 156.0755 17.47102 767.9531       157.1793 559.9514       190.0379 1218.361       279.6469 127.5332 26.28221 189.9013 25.77377 -62.36806      36.81089 
1 1 1 -29 19 17 o 157.7883 42.27083 1056.942       399.0226 0.000000       0.000000 1056.942       399.0226 ?        ?        157.7883 42.27083 0.000000       42.27083 
1 1 1 -29 19 18 o 105.6199 23.09474 378.6928       139.0608 438.1667       167.5603 247.0805       249.2622 111.8850 26.02785 86.03793 33.79373 25.84705       42.65519 
1 1 1 -29 19 19 o 93.91425 25.46784 310.6815       143.7808 246.7632       179.3514 425.6438       240.5304 83.66475 29.44549 104.0954 34.13665 -20.43061      45.08157 
1 1 1 -29 19 20 o 54.40469 23.22419 32.23807       130.9234 -128.0710      155.3015 426.0461       243.4103 46.25642 21.84355 103.5031 34.35799 -57.24672      40.71379 
1 1 1 -29 19 21 o 142.3630 19.65793 663.4495       159.7532 583.8602       202.9801 792.9918       258.9596 126.8469 28.03227 145.0553 31.35573 -18.20839      42.05937 
1 1 1 -29 19 22 o 100.0583 24.79717 354.9213       144.7720 431.5160       178.5971 208.1539       247.2237 108.1545 27.95479 80.55019 32.94972 27.60429       43.21058 
1 1 1 -29 19 23 o 94.29836 25.85130 322.9098       147.2079 276.6450       180.0905 416.0642       255.5448 85.89855 29.54959 99.68444 35.14249 -13.78589      45.91485 
1 1 1 -29 19 24 o 135.3408 20.31587 612.8834       156.2818 688.2163       193.5733 471.8564       264.8527 139.8493 24.49331 104.2479 35.83607 35.60136       43.40675 
1 1 1 -29 19 25 o 45.71843 21.45846 -97.09604      145.8604 -78.04969      178.5452 -135.3126      252.9113 52.02493 24.19427 58.34192 27.64701 -6.316990      36.73853 
1 1 1 -29 19 26 o 68.02644 26.06845 150.4196       145.5558 76.30468       176.9205 305.6677       256.0580 62.74015 26.89483 86.59569 34.17819 -23.85553      43.49115 
1 1 1 -29 19 27 o 102.5192 24.82076 384.3902       147.6227 297.4312       179.8234 564.1177       258.5212 86.78461 29.53662 112.7179 35.23330 -25.93330      45.97605 
1 1 1 -29 19 28 o 108.7990 24.33765 431.1600       151.4007 461.8094       182.9204 364.4900       269.7846 108.7076 28.38841 90.28908 35.24735 18.41849       45.25790 
1 1 1 -29 19 29 o 67.22482 25.75543 152.3490       142.0597 168.6464       169.9648 114.5756       258.7579 70.29304 27.81378 70.50455 31.30941 -0.2115173     41.87941 
1 1 1 -29 19 30 o 45.69585 21.48268 -90.03516      147.2241 -119.3471      175.9723 -21.65558      268.7727 48.43526 22.98422 63.45559 29.56875 -15.02033      37.45111 
1 1 1 -29 19 31 o 81.30725 29.88704 271.1194       187.1122 308.9731       211.1142 132.4645       404.0458 84.81564 31.64083 76.41931 35.81920 8.396332       47.79286 
1 1 1 -29 20 1  o 191.7798 17.16784 1137.064       191.0539 1275.395       227.5842 806.8942       351.6026 201.7404 19.47718 145.2879 40.00123 56.45253       44.49111 
1 1 1 -29 20 2  o 92.86854 26.96728 290.9304       155.5206 169.5852       165.4843 1208.555       455.0699 76.10543 28.08393 174.1976 44.41441 -98.09220      52.54852 
1 1 1 -29 20 3  o 234.6591 13.61899 1668.360       186.6218 1371.189       214.3845 2598.008       379.1839 210.4363 17.52996 285.1091 22.86877 -74.67281      28.81458 
1 1 1 -29 20 4  o 302.3595 22.54696 2916.163       396.9394 0.000000       0.000000 2916.163       396.9394 ?        ?        302.3595 22.54696 0.000000       22.54696 
1 1 1 -29 20 5  o 133.9745 21.06826 575.4788       160.0805 507.9568       183.7788 787.8150       325.9003 122.9114 26.29030 144.7856 37.93272 -21.87414      46.15269 
1 1 1 -29 20 6  o 205.3300 15.21676 1290.823       181.9397 1324.271       212.7030 1199.624       351.2226 206.4484 17.73940 183.7623 33.83573 22.68607       38.20396 
1 1 1 -29 20 7  o 97.51266 25.02599 319.8828       143.8278 387.8477       160.5546 43.73646       323.6308 107.1021 25.85675 79.57162 35.19165 27.53051       43.66949 
1 1 1 -29 20 8  o 72.13627 26.84936 149.8149       151.8471 161.3101       173.6940 112.5472       312.7471 75.28316 28.56650 82.64370 35.59700 -7.360542      45.64199 
1 1 1 -29 20 9  o 167.8476 17.39310 878.8366       168.7368 936.9950       194.8880 704.7014       337.2270 171.9661 19.67768 133.7346 39.94577 38.23149       44.52950 
1 1 1 -29 20 10 o 178.8730 15.63373 986.9346       162.3586 1075.441       187.8231 725.2986       322.9313 185.6730 17.45311 136.5768 38.60897 49.09615       42.37056 
1 1 1 -29 20 11 f 222.4424 14.09220 1510.775       182.8978 1555.290       222.0179 1416.768       322.6369 223.6842 17.05249 204.5133 27.60348 19.17090       32.44595 
1 1 1 -29 20 12 o 53.19400 23.05020 7.945646       132.6994 20.08680       149.5940 -36.88245      287.4481 57.11843 24.61102 70.66808 32.05142 -13.54964      40.41034 
1 1 1 -29 20 13 o 59.06145 24.13413 64.71624       132.4597 105.5910       152.1296 -63.39967      269.3319 66.20374 26.27624 67.04913 30.64715 -0.8453903     40.36940 
1 1 1 -29 20 14 o 58.00451 24.54192 40.74446       143.9860 21.15095       172.7849 85.27239       260.4749 60.33263 26.22175 74.96149 32.38823 -14.62885      41.67226 
1 1 1 -29 20 15 o 104.5599 42.49956 428.9867       408.1427 0.000000       0.000000 428.9867       408.1427 ?        ?        104.5599 42.49956 0.000000       42.49956 
1 1 1 -29 20 16 o 172.6430 16.19447 932.6584       162.0565 758.0804       203.8691 1232.314       267.0962 150.1305 23.95918 191.6084 24.31535 -41.47791      34.13618 
1 1 1 -29 20 17 o 164.7067 41.77599 1160.575       404.0837 0.000000       0.000000 1160.575       404.0837 ?        ?        164.7067 41.77599 0.000000       41.77599 
1 1 1 -29 20 18 o 176.5793 15.89829 978.1210       162.8810 1164.254       212.7013 714.2135       253.2705 189.8659 19.37290 137.6292 31.98779 52.23665       37.39690 
1 1 1 -29 20 19 o 55.53701 23.24661 48.53845       127.0077 -18.31946      150.1189 216.9269       238.2402 52.84081 23.63126 81.85672 32.75200 -29.01591      40.38725 
1 1 1 -29 20 20 o 170.2466 16.05133 914.7023       158.3740 993.2260       204.3587 796.6247       250.5975 173.7927 20.44022 146.5782 30.15786 27.21443       36.43212 
1 1 1 -29 20 21 o 86.07367 25.50159 265.1372       137.8819 380.1135       166.4356 13.58192       246.1835 101.8179 27.31061 66.48267 29.95353 35.33520       40.53496 
1 1 1 -29 20 22 o 46.31763 21.39887 -67.02837      136.2513 -151.9543      166.7955 103.2987       236.2141 46.46509 22.14221 71.08746 30.77873 -24.62237      37.91580 
1 1 1 -29 20 23 o 60.80120 25.25706 80.49854       148.2634 196.1394       187.1384 -114.4607      242.9849 75.91105 29.43433 58.52211 27.53943 17.38894       40.30881 
1 1 1 -29 20 24 o 140.6552 19.77382 659.9594       158.6186 750.2265       197.6706 496.7328       265.8110 146.3044 23.85892 106.0354 35.91288 40.26895       43.11593 
1 1 1 -29 20 25 o 48.60003 22.49666 -65.05317      151.6608 -67.14320      190.1783 -61.40211      251.3588 54.04979 25.07912 61.32296 28.58162 -7.273167      38.02461 
1 1 1 -29 20 26 o 167.5107 16.98985 910.1588       164.6041 1057.322       211.6221 684.7518       261.9057 176.5702 20.83673 126.5757 34.39277 49.99448       40.21234 
1 1 1 -29 20 27 o 103.0383 26.31780 400.7272       159.5860 493.0927       203.2492 252.2450       257.6981 110.2922 30.43161 80.96249 33.43433 29.32976       45.20992 
1 1 1 -29 20 28 o 102.0291 25.21624 388.5621       150.0110 425.2832       180.3581 306.1396       270.2096 103.3738 28.72205 84.70626 34.52410 18.66756       44.90957 
1 1 1 -29 20 29 o 109.1970 24.22414 437.1696       151.0743 466.8466       179.3231 364.5981       280.4200 109.1949 27.90182 88.95387 35.55291 20.24099       45.19426 
1 1 1 -29 20 30 o 72.84072 27.13573 197.6384       155.1703 275.6234       177.5420 -54.62885      319.3199 82.35125 29.26743 65.36310 31.00086 16.98815       42.63374 
1 1 1 -29 21 1  o 126.2085 22.46972 518.9502       160.2195 457.3435       179.9462 754.6255       351.9539 115.8847 26.98261 138.6103 40.65860 -22.72558      48.79737 
1 1 1 -29 21 2  o 152.8059 19.53566 739.1268       171.0741 867.8574       195.6294 320.7301       352.6854 165.0467 20.66198 99.57826 39.84724 65.46843       44.88563 
1 1 1 -29 21 3  o 82.62823 27.76616 224.2933       158.8937 227.1564       168.0666 200.1916       487.6257 83.29989 28.54986 98.25021 43.33612 -14.95032      51.89522 
1 1 1 -29 21 4  o 123.7176 22.90907 501.8033       160.1022 324.7459       178.2644 1240.308       364.0695 96.80484 29.07287 185.4003 34.75962 -88.59547      45.31516 
1 1 1 -29 21 5  o 102.9241 25.67529 359.2181       154.4618 354.1673       173.9988 377.9966       335.5031 101.1015 28.25591 103.1858 39.56853 -2.084274      48.62165 
1 1 1 -29 21 6  o 197.0948 15.55994 1195.315       178.4016 1331.517       208.3364 820.8690       345.4362 206.9400 17.32491 145.0586 39.53302 61.88138       43.16262 
1 1 1 -29 21 7  o 58.77882 24.81088 40.20635       146.5906 124.8601       164.5768 -284.8245      322.4838 70.07549 27.47879 63.87939 30.53619 6.196098       41.07971 
1 1 1 -29 21 8  o 47.47777 21.98669 -91.86528      145.0966 -34.49167      163.6199 -303.0920      313.9456 54.90644 24.60438 62.15071 29.82137 -7.244278      38.66121 
1 1 1 -29 21 9  o 132.3767 20.49808 564.4617       153.9989 614.2158       175.9987 401.9308       318.0996 136.8597 22.72380 104.1019 38.83853 32.75782       44.99781 
1 1 1 -29 21 10 o 45.29803 20.92021 -79.47835      130.0522 -140.3497      144.6927 176.4761       296.7027 44.24570 20.95073 84.83404 35.52172 -40.58833      41.23986 
1 1 1 -29 21 11 o 96.03036 25.60638 316.7202       146.8478 400.9843       169.9801 68.78634       291.5714 107.4105 27.01358 76.92432 33.73417 30.48622       43.21721 
1 1 1 -29 21 12 o 161.8107 16.41044 817.4716       153.5807 916.3079       178.9449 541.0679       299.2493 170.2393 18.20523 116.5838 38.06673 53.65543       42.19605 
1 1 1 -29 21 13 o 62.71631 24.79417 95.02747       134.9554 165.0611       155.1223 -123.0107      273.7078 73.32327 27.16638 64.04581 29.84217 9.277466       40.35551 
1 1 1 -29 21 14 o 201.2431 13.63616 1241.966       159.9894 1328.461       194.5314 1061.172       281.2460 206.3332 16.20567 173.8832 28.57038 32.45006       32.84647 
1 1 1 -29 21 15 o 166.2524 16.32306 867.8135       157.1054 889.3361       195.5125 828.5886       263.9416 165.1941 20.62876 150.5166 30.93487 14.67746       37.18214 
1 1 1 -29 21 16 o 253.0711 12.49662 1953.895       184.9014 2184.311       247.1085 1660.766       278.7154 264.3706 16.01272 225.0690 21.37129 39.30162       26.70467 
1 1 1 -29 21 17 o 211.3185 13.56450 1374.847       167.2216 1242.748       221.4172 1550.225       255.1223 195.9919 19.52231 218.4004 20.14482 -22.40852      28.05235 
1 1 1 -29 21 18 o 84.89169 24.88039 253.2123       131.8414 76.14540       157.7904 662.7311       239.9655 62.36583 25.99352 132.4637 31.37503 -70.09784      40.74378 
1 1 1 -29 21 19 o 97.97164 25.63157 342.9086       148.9392 411.4051       186.5314 222.4231       247.3916 104.8104 29.24238 82.11650 33.19317 22.69389       44.23690 
1 1 1 -29 21 20 o 86.03137 25.83181 266.0570       140.7450 79.03124       169.7995 676.6682       251.5944 63.50660 26.74899 131.3019 32.77643 -67.79529      42.30606 
1 1 1 -29 21 21 o 95.11213 24.91899 324.5978       140.6416 257.7980       169.9475 469.7627       250.5289 83.52013 28.70636 105.7771 34.84671 -22.25697      45.14807 
1 1 1 -29 21 22 f 50.16788 22.80682 -36.16959      146.5935 -13.90953      185.5534 -73.13606      239.1165 57.31925 25.89828 60.11567 27.97115 -2.796421      38.11963 
1 1 1 -29 21 23 o 42.64758 20.18277 -111.8999      133.9250 20.89074       160.2531 -419.4120      243.8673 56.44461 24.87208 47.17163 23.38024 9.272976       34.13584 
1 1 1 -29 21 24 o 129.6025 21.29927 574.4843       156.2743 686.5903       198.5105 391.7776       253.4231 137.8767 25.48808 95.02275 34.80622 42.85394       43.14065 
1 1 1 -29 21 25 o 46.68182 21.77787 -79.79265      146.4779 -153.8790      180.1983 64.50935       251.4882 47.85593 22.86282 68.04475 30.49690 -20.18882      38.11521 
1 1 1 -29 21 26 o 116.5040 24.26544 490.8753       160.4063 567.9757       205.6554 371.1089       256.3180 120.0963 29.43186 91.54528 34.71012 28.55105       45.50853 
1 1 1 -29 21 27 o 68.61078 27.29511 154.5208       164.5236 157.9571       210.9532 149.1854       262.8603 71.23145 29.89732 73.09414 32.04305 -1.862694      43.82473 
1 1 1 -29 21 28 o 104.8448 30.16086 451.9114       195.3824 239.0158       215.1476 1453.509       466.6591 78.42323 31.20851 159.1591 46.85308 -80.73589      56.29549 
1 1 1 -29 21 29 o 109.0967 26.94864 460.3320       171.3988 451.5550       199.7996 484.7904       333.5291 103.6608 30.69445 95.81111 38.60773 7.849731       49.32246 
1 1 1 -29 22 1  o 78.38380 27.08230 197.5588       151.3303 103.4776       167.7370 609.1372       350.8355 68.10267 27.40142 123.3233 41.25632 -55.22068      49.52699 
1 1 1 -29 22 2  o 196.6828 15.58511 1191.114       178.3054 1186.240       203.3555 1207.322       370.8313 194.7501 18.00831 180.7749 36.24036 13.97528       40.46804 
1 1 1 -29 22 3  o 190.2852 46.68228 1524.539       516.9677 0.000000       0.000000 1524.539       516.9677 ?        ?        190.2852 46.68228 0.000000       46.68228 
1 1 1 -29 22 4  o 102.2366 44.52298 296.6165       500.2331 0.000000       0.000000 296.6165       500.2331 ?        ?        102.2366 44.52298 0.000000       44.52298 
1 1 1 -29 22 5  o 67.86148 26.04426 123.0156       145.4335 -36.36602      160.3548 861.8335       345.2484 54.19432 24.31582 148.5153 39.10638 -94.32098      46.04963 
1 1 1 -29 22 6  o 113.0033 23.94820 427.3430       153.7763 455.1679       173.7631 326.8334       330.2509 115.3573 26.27353 97.95889 38.76747 17.39837       46.83177 
1 1 1 -29 22 7  o 54.50467 23.58240 11.54837       138.4749 80.46408       154.5615 -268.7850      311.7307 63.81813 26.07296 62.90417 30.05713 0.9139557      39.78982 
1 1 1 -29 22 8  o 70.39186 25.50328 150.1935       135.5290 140.6931       150.6964 190.3902       309.9743 70.30451 26.62410 86.39264 36.24971 -16.08813      44.97649 
1 1 1 -29 22 9  o 169.4037 16.23439 893.5429       159.3192 965.0886       189.0087 717.9407       296.1113 174.4517 18.76870 136.4397 36.35246 38.01198       40.91167 
1 1 1 -29 22 10 o 114.4388 21.47153 431.1494       138.8157 483.0621       158.8024 262.9789       285.8219 120.1411 23.37956 90.10797 35.93389 30.03315       42.87013 
1 1 1 -29 22 11 o 97.64997 24.73224 327.6394       141.7703 281.7352       164.7058 458.8950       278.5106 89.50711 28.14377 108.1512 36.75934 -18.64407      46.29601 
1 1 1 -29 22 12 o 71.42316 25.06267 163.4384       129.8667 197.2947       144.9049 25.25086       292.7507 76.98273 26.50529 73.39055 32.89746 3.592186       42.24657 
1 1 1 -29 22 13 o 46.38894 21.32351 -66.45255      132.8816 26.14429       153.8256 -338.7406      263.7818 57.57771 24.88350 53.65682 26.12376 3.920891       36.07824 
1 1 1 -29 22 14 o 110.9668 21.20620 409.7089       132.9790 354.7860       154.7477 564.7715       260.0166 100.2097 26.08213 119.4264 34.92380 -19.21667      43.58841 
1 1 1 -29 22 15 o 85.01553 38.53574 116.7933       414.7712 0.000000       0.000000 116.7933       414.7712 ?        ?        85.01553 38.53574 0.000000       38.53574 
1 1 1 -29 22 16 o 106.9087 24.62210 398.2737       151.1925 258.0024       185.0221 680.1875       262.2995 84.86391 29.90401 132.0429 33.74808 -47.17902      45.09083 
1 1 1 -29 22 17 o 105.6112 23.07554 383.3735       138.9215 203.5911       166.0848 802.1625       253.4859 77.37184 28.20288 147.0146 30.40397 -69.64278      41.47052 
1 1 1 -29 22 18 o 202.2569 13.78436 1266.750       162.5314 1041.750       211.4432 1591.688       254.0990 177.6020 20.68677 220.7977 19.83377 -43.19566      28.65870 
1 1 1 -29 22 19 o 48.09151 21.60426 -23.97687      127.0181 -130.5957      152.0493 222.2722       231.0759 45.19825 21.42381 80.85056 32.28724 -35.65231      38.74849 
1 1 1 -29 22 20 o 76.45571 26.21411 206.7004       141.6949 251.4879       173.0957 115.7296       246.6944 82.56451 28.93771 72.58935 31.44151 9.975159       42.73124 
1 1 1 -29 22 21 o 46.99270 21.79133 -72.63474      143.2514 -30.07897      173.5879 -163.4904      253.6391 54.60619 24.82198 57.48343 27.36802 -2.877235      36.94779 
1 1 1 -29 22 22 o 69.52872 32.80060 -66.57989      348.5806 0.000000       0.000000 -66.57989      348.5806 ?        ?        69.52872 32.80060 0.000000       32.80060 
1 1 1 -29 22 23 o 54.83142 24.12292 19.79897       150.1893 -19.63134      183.6005 99.55121       261.1140 56.20711 25.54111 71.23270 31.55175 -15.02560      40.59386 
1 1 1 -29 22 24 o 65.18176 26.04994 125.2270       150.5365 -32.61281      187.3565 412.7261       252.8592 55.65384 25.48470 96.71235 34.86280 -41.05851      43.18431 
1 1 1 -29 22 25 o 55.46675 23.90536 44.14531       141.2072 -6.426944      169.5209 158.7622       255.2063 54.89783 24.78387 73.92651 32.00008 -19.02868      40.47525 
1 1 1 -29 22 26 o 102.4178 27.48642 407.1330       168.5295 315.3665       208.4443 580.3503       286.3806 86.86182 31.60539 109.5424 37.27442 -22.68056      48.87007 
1 1 1 -29 22 27 o 53.83911 24.30363 -4.666145      162.9704 26.33223       190.8663 -88.07481      313.0874 59.28630 26.57006 64.19344 30.51828 -4.907131      40.46398 
1 1 1 -29 22 28 o 135.9283 39.38824 916.1779       332.0941 0.000000       0.000000 916.1779       332.0941 ?        ?        135.9283 39.38824 0.000000       39.38824 
1 1 1 -29 23 1  o 209.5970 14.40126 1346.283       175.9497 1407.626       203.3464 1163.529       350.9834 212.9932 16.40503 177.5390 34.95345 35.45421       38.61177 
1 1 1 -29 23 2  o 93.51349 25.99690 300.6432       147.7119 142.9774       163.3734 1006.726       345.7327 71.68594 27.58026 162.4606 37.10290 -90.77467      46.23090 
1 1 1 -29 23 3  o 115.3732 24.16917 447.6462       158.2917 374.2839       168.2400 1013.515       467.2512 103.6164 27.30620 149.5130 47.45340 -45.89658      54.74900 
1 1 1 -29 23 4  o 145.1586 20.09158 677.2500       166.4630 631.7945       178.1437 990.1685       467.4044 138.5053 22.71766 147.1981 47.53816 -8.692856      52.68747 
1 1 1 -29 23 5  o 96.60677 25.78030 321.6797       148.7766 235.5771       165.9272 674.7854       336.0175 83.44166 28.37285 128.4477 40.17131 -45.00608      49.18081 
1 1 1 -29 23 6  o 72.47993 26.32571 162.2244       144.5315 142.0168       163.6694 233.7914       308.0104 71.34682 27.56417 88.95794 36.62590 -17.61112      45.83929 
1 1 1 -29 23 7  o 88.77490 25.85623 272.0277       142.7769 311.3701       160.4471 122.3449       312.9590 94.19337 27.40243 81.41909 35.33896 12.77428       44.71840 
1 1 1 -29 23 8  o 66.04369 31.06224 -162.7306      308.3918 0.000000       0.000000 -162.7306      308.3918 ?        ?        66.04369 31.06224 0.000000       31.06224 
1 1 1 -29 23 9  o 143.1988 18.02851 652.3728       148.0600 647.0015       174.5341 666.1602       279.6271 140.0743 21.96753 130.7985 35.53609 9.275848       41.77782 
1 1 1 -29 23 10 o 71.85117 25.79055 164.1112       138.2105 149.7135       163.3552 200.3812       259.2746 71.63528 27.57405 82.70182 33.77626 -11.06654      43.60234 
1 1 1 -29 23 11 o 60.09970 24.62304 72.48386       138.3332 102.0535       158.9305 -19.93221      280.9687 65.71342 26.58963 69.37283 31.55201 -3.659416      41.26182 
1 1 1 -29 23 12 o 37.21434 18.06441 -182.7922      123.6137 -141.2253      137.5118 -357.8069      282.1654 42.32652 20.15167 55.14571 26.88645 -12.81918      33.60017 
1 1 1 -29 23 13 o 97.29382 24.47602 329.4138       139.5176 385.8373       163.9171 181.0692       265.7849 104.0119 26.72849 80.70505 33.69394 23.30683       43.00806 
1 1 1 -29 23 14 o 246.0307 12.49538 1849.123       179.7070 1949.241       232.8436 1701.631       282.6140 249.4708 15.99887 227.3848 21.44578 22.08603       26.75603 
1 1 1 -29 23 15 o 124.4451 19.39203 506.7145       136.9201 440.0628       161.4861 677.1671       258.2447 111.9237 25.20922 131.7434 33.38699 -19.81974      41.83534 
1 1 1 -29 23 16 o 68.86254 25.93701 146.9945       142.5754 -48.20199      174.0482 545.1772       248.5849 54.10712 24.69535 116.3484 34.18146 -62.24127      42.16909 
1 1 1 -29 23 17 o 177.0874 14.58122 979.3466       150.0965 717.6340       184.7316 1487.773       257.4796 145.6568 22.33670 211.9548 20.98861 -66.29797      30.65044 
1 1 1 -29 23 18 o 72.80048 26.22620 179.7008       143.0678 -116.6218      181.0819 671.9203       233.3845 50.64848 23.81546 132.6883 30.61362 -82.03986      38.78620 
1 1 1 -29 23 19 o 81.02348 27.94304 240.1981       161.0748 235.1772       185.3989 255.6551       325.2978 80.44167 29.71836 85.53976 36.56387 -5.098091      47.11791 
1 1 1 -29 23 20 f 187.3368 15.22197 1108.903       165.8018 1191.090       213.4493 983.8725       263.2695 190.0425 19.42397 162.7659 28.62400 27.27660       34.59226 
1 1 1 -29 23 21 o 88.15015 25.16571 284.6892       136.5248 352.1672       159.9630 103.6999       261.9782 96.66735 27.11970 71.80640 31.71432 24.86095       41.72860 
1 1 1 -29 23 22 o 59.07021 25.04130 65.90365       150.3911 62.19687       189.2160 72.26212       247.8199 62.80654 27.36672 68.54164 30.52690 -5.735104      40.99791 
1 1 1 -29 23 23 o 121.0232 34.90039 637.0588       261.3109 0.000000       0.000000 637.0588       261.3109 ?        ?        121.0232 34.90039 0.000000       34.90039 
1 1 1 -29 23 24 o 106.1771 40.69786 601.5914       354.8230 0.000000       0.000000 601.5914       354.8230 ?        ?        106.1771 40.69786 0.000000       40.69786 
1 1 1 -29 23 25 o 85.11362 29.57226 291.3302       180.5472 294.6204       198.4857 275.5564       434.5984 84.85395 30.84614 84.60898 38.77002 0.2449722      49.54390 
1 1 1 -29 23 26 o 70.66256 32.61539 58.68571       315.4377 0.000000       0.000000 58.68571       315.4377 ?        ?        70.66256 32.61539 0.000000       32.61539 
1 1 1 -29 23 27 o 77.06567 29.96162 230.4419       194.3004 0.000000       0.000000 230.4419       194.3004 ?        ?        77.06567 29.96162 0.000000       29.96162 
1 1 1 -29 24 1  o 72.96601 26.16628 168.0964       142.2304 246.8276       158.6650 -153.9798      320.9127 84.59367 27.72441 67.74609 31.80740 16.84758       42.19424 
1 1 1 -29 24 2  f 101.6027 25.77534 358.0117       153.8041 335.7029       163.9972 520.9229       443.1730 97.52103 27.49505 110.7817 44.55138 -13.26067      52.35268 
1 1 1 -29 24 3  o 172.9188 17.33924 941.4878       173.4721 858.4982       187.8276 1422.989       452.4246 163.2231 20.04142 184.9070 42.59719 -21.68382      47.07631 
1 1 1 -29 24 4  o 257.7626 13.85229 2035.668       208.6382 1855.932       231.2792 2821.185       483.5009 244.1363 16.24544 283.4970 29.51176 -39.36070      33.68766 
1 1 1 -29 24 5  o 214.8757 14.05486 1418.821       176.1464 1431.612       210.6451 1389.080       321.2071 213.6614 16.94905 199.6920 28.21165 13.96948       32.91151 
1 1 1 -29 24 6  o 226.4896 13.60146 1572.219       179.8368 1639.819       215.7110 1418.146       325.6570 229.3280 16.14164 201.4120 28.35292 27.91597       32.62577 
1 1 1 -29 24 7  o 72.88605 26.48689 168.6329       146.3325 263.2209       164.3706 -192.7606      321.2894 86.41569 28.21222 65.66715 31.13082 20.74854       42.01258 
1 1 1 -29 24 8  o 54.73932 23.54240 23.88860       136.4018 60.20879       154.0050 -108.2991      293.8029 60.82626 25.53850 66.28780 30.89732 -5.461548      40.08565 
1 1 1 -29 24 9  o 104.4795 22.72295 369.8297       135.2605 408.2216       155.7767 252.1950       272.6784 108.4561 25.00257 87.14024 34.98002 21.31583       42.99686 
1 1 1 -29 24 10 o 87.49969 25.62266 268.7121       139.8774 360.7848       165.2709 36.22841       262.6198 100.2723 27.35194 70.61585 31.43954 29.65643       41.67221 
1 1 1 -29 24 11 o 71.88344 26.24005 165.1925       143.8465 210.5295       167.2483 36.33521       281.9617 78.80809 28.36042 72.18059 32.32559 6.627502       43.00299 
1 1 1 -29 24 12 o 60.02536 24.29441 80.68897       132.7161 136.0434       148.7258 -135.6958      294.0516 68.28516 26.30363 64.48486 30.32982 3.800301       40.14697 
1 1 1 -29 24 13 o 62.71920 25.07069 98.21961       139.4591 108.2187       163.0587 70.98007       269.1307 66.18942 26.87777 72.67348 32.11868 -6.484062      41.88107 
1 1 1 -29 24 14 o 128.1526 20.30627 543.1492       147.5368 648.2264       179.3818 323.4498       259.3813 138.1626 22.94227 91.67951 34.88040 46.48309       41.74913 
1 1 1 -29 24 15 o 58.70250 23.71224 79.47015       126.1523 33.23402       145.9899 215.7675       250.6546 56.38327 24.30364 81.42101 33.22638 -25.03774      41.16624 
1 1 1 -29 24 16 o 149.8178 43.39968 1068.279       403.2387 0.000000       0.000000 1068.279       403.2387 ?        ?        149.8178 43.39968 0.000000       43.39968 
1 1 1 -29 24 17 o 105.2556 24.15529 391.7390       145.9447 413.9037       181.1918 350.7954       246.2639 104.6239 28.67985 92.96996 34.26778 11.65389       44.68573 
1 1 1 -29 24 18 o 110.9450 23.80409 433.4841       150.2455 324.8118       190.7250 611.2175       243.9117 91.33556 30.41594 122.7682 33.11924 -31.43265      44.96680 
1 1 1 -29 24 19 o 137.1225 18.72946 619.7440       146.6881 413.7242       175.6499 1094.599       266.6699 104.3931 28.08063 173.3575 27.11692 -68.96434      39.03651 
1 1 1 -29 24 20 o 53.29021 23.53672 10.41626       144.2981 -82.30627      173.7662 216.4031       258.9956 50.98867 23.76470 79.56461 33.24249 -28.57594      40.86348 
1 1 1 -29 24 21 o 65.58384 25.85367 129.9450       146.3565 331.3085       181.0549 -249.7202      248.6110 91.60735 29.58720 52.97933 25.69388 38.62802       39.18644 
1 1 1 -29 24 22 o 35.53957 17.77378 -359.4567      154.6165 -480.3030      193.4513 -145.7295      257.2674 38.36623 19.28440 57.75593 27.51612 -19.38970      33.60097 
1 1 1 -29 24 23 o 124.0536 24.06908 553.7976       168.7948 412.3921       208.6687 821.4802       287.1007 98.96481 31.74500 136.8549 35.47925 -37.89007      47.60800 
1 1 1 -29 24 24 o 74.41192 30.53257 192.4283       213.1059 314.0602       274.7268 8.673372       337.6735 85.53140 34.82981 70.01988 32.79576 15.51152       47.84013 
1 1 1 -29 24 25 o 69.90372 29.53756 145.4077       208.1182 0.000000       0.000000 145.4077       208.1182 ?        ?        69.90372 29.53756 0.000000       29.53756 
1 1 1 -29 24 26 o 83.53531 38.74486 276.7541       453.2133 0.000000       0.000000 276.7541       453.2133 ?        ?        83.53531 38.74486 0.000000       38.74486 
1 1 1 -29 25 1  o 65.05235 25.78248 106.5946       146.2691 167.6157       164.6556 -121.7717      318.5314 73.85375 27.86084 68.34250 31.95900 5.511253       42.39816 
1 1 1 -29 25 2  o 81.32021 27.83281 226.9276       159.7170 269.1910       170.7145 -69.75509      452.3084 87.18645 28.76719 80.81259 37.88473 6.373863       47.56894 
1 1 1 -29 25 3  o 399.6607 18.11741 5048.891       423.5524 0.000000       0.000000 5048.891       423.5524 ?        ?        399.6607 18.11741 0.000000       18.11741 
1 1 1 -29 25 4  o 190.9630 16.54065 1144.584       183.4226 1251.478       201.4698 626.8425       443.3927 199.0189 17.43695 115.8583 45.19904 83.16055       48.44585 
1 1 1 -29 25 5  o 104.7116 23.21612 373.1271       138.8302 379.5013       155.2956 347.7592       309.8062 104.1596 25.60545 96.06600 37.69223 8.093575       45.56691 
1 1 1 -29 25 6  o 35.19571 17.33277 -239.8992      126.6294 -272.5527      138.2473 -69.75081      315.5769 36.21524 17.88677 70.01380 32.42380 -33.79856      37.03025 
1 1 1 -29 25 7  o 219.3652 13.82598 1481.358       176.9699 1681.087       213.8916 1047.910       315.0948 232.0721 15.80961 166.5810 33.41612 65.49107       36.96729 
1 1 1 -29 25 8  o 57.95848 24.16717 56.95087       136.4835 64.95091       155.4847 30.08893       284.9117 61.24765 25.68463 72.10299 32.37656 -10.85534      41.32726 
1 1 1 -29 25 9  o 95.47510 25.03372 320.2090       141.8670 441.9551       165.4256 -18.25836      275.8249 112.0919 25.71178 68.40195 31.16916 43.68998       40.40559 
1 1 1 -29 25 10 o 70.16143 25.49565 157.5515       135.5828 120.5630       158.1870 259.9464       263.1948 67.17120 26.75058 86.53898 34.49162 -19.36778      43.64934 
1 1 1 -29 25 11 o 40.70313 19.58230 -166.9933      137.4443 -183.9012      155.8680 -107.8864      291.4279 43.29807 20.83654 65.14334 30.49738 -21.84527      36.93578 
1 1 1 -29 25 12 o 158.2709 16.07436 791.5871       147.1382 791.4840       173.3686 791.8525       278.2110 155.8009 19.39216 141.9820 33.88385 13.81889       39.04064 
1 1 1 -29 25 13 o 145.3606 18.59765 686.4843       154.9190 648.5112       187.2350 768.9067       275.8497 136.8528 24.21408 138.9685 34.10458 -2.115677      41.82636 
1 1 1 -29 25 14 o 152.4047 17.94648 750.7830       157.3372 767.6677       195.1404 719.4143       265.9799 150.0043 22.90681 134.0255 33.83842 15.97881       40.86270 
1 1 1 -29 25 15 o 133.7107 20.26609 595.5766       153.9477 709.9721       192.6279 393.3356       256.1234 143.1419 23.77976 97.18877 35.08018 45.95316       42.38037 
1 1 1 -29 25 16 o 114.2528 21.83626 446.7251       140.9851 428.8708       166.1652 492.6111       266.3845 108.3302 26.39928 106.6987 35.95203 1.631493       44.60348 
1 1 1 -29 25 17 o 90.96870 25.67872 303.3803       142.9563 195.4212       172.2256 542.5425       256.3387 75.13029 28.45998 112.4869 35.07260 -37.35661      45.16700 
1 1 1 -29 25 18 o 80.81062 27.69234 242.6752       158.1206 337.9468       177.0862 -132.0047      351.1826 93.24374 29.16286 67.29913 32.08668 25.94462       43.35928 
1 1 1 -29 25 19 o 88.42439 26.30577 291.8278       146.4749 24.71526       181.3558 792.9958       248.4140 59.15868 26.24455 142.7465 30.59273 -83.58780      40.30746 
1 1 1 -29 25 20 o 63.59495 25.85219 109.8486       151.0438 12.40399       188.4941 284.6800       252.4809 58.89903 26.39986 84.61434 33.76312 -25.71531      42.85908 
1 1 1 -29 25 21 o 48.78267 22.20869 -32.27877      139.6259 42.30885       163.2723 -235.2976      269.3688 58.05703 25.35705 55.48213 26.86907 2.574898       36.94492 
1 1 1 -29 25 22 o 106.8882 27.79946 442.5711       175.8847 425.8507       192.8604 525.2031       428.7393 102.3119 30.12085 97.16588 41.76324 5.145996       51.49208 
1 1 1 -29 25 23 o 127.8202 22.55775 576.5410       162.9211 0.000000       0.000000 576.5410       162.9211 ?        ?        127.8202 22.55775 0.000000       22.55775 
1 1 1 -29 25 24 f 89.73123 31.47572 340.8397       204.8183 0.000000       0.000000 340.8397       204.8183 ?        ?        89.73123 31.47572 0.000000       31.47572 
1 1 1 -29 25 25 o 110.4850 32.27409 528.0347       222.1630 0.000000       0.000000 528.0347       222.1630 ?        ?        110.4850 32.27409 0.000000       32.27409 
1 1 1 -29 26 1  o 77.92670 26.34842 207.3218       143.0782 240.5265       158.3261 59.41644       334.1528 82.83340 27.71508 77.69294 34.96001 5.140465       44.61309 
1 1 1 -29 26 2  o 144.7554 18.65633 674.5481       154.7052 549.9205       175.3222 1112.926       328.8167 126.5649 24.50525 170.9592 33.99245 -44.39436      41.90458 
1 1 1 -29 26 3  f 130.8663 23.00631 577.8375       170.1311 485.8156       182.5468 1186.129       469.3369 116.7473 27.17235 156.5837 47.20653 -39.83640      54.46827 
1 1 1 -29 26 4  o 172.6415 16.35900 938.6201       163.6590 787.5396       186.4286 1446.260       341.7325 154.5970 21.11286 199.9612 30.07014 -45.36414      36.74188 
1 1 1 -29 26 5  o 94.70889 24.80792 314.2999       139.4105 339.2145       154.6238 206.0505       322.3013 97.50358 26.39779 85.10727 36.38744 12.39631       44.95430 
1 1 1 -29 26 6  o 133.1265 19.07725 575.7604       144.6952 567.8241       163.5310 604.3802       310.5465 130.0237 22.24408 118.5749 38.78251 11.44875       44.70885 
1 1 1 -29 26 7  o 63.20869 24.74409 106.9747       133.2592 38.42448       149.3503 374.6639       295.1325 57.65555 24.71280 96.89431 37.12281 -39.23876      44.59624 
1 1 1 -29 26 8  o 115.7950 22.52095 455.2175       147.4341 563.8209       171.0009 140.6483       291.0281 128.3784 23.58075 78.65531 34.10917 49.72306       41.46670 
1 1 1 -29 26 9  o 59.78784 28.37606 -171.8671      268.4333 0.000000       0.000000 -171.8671      268.4333 ?        ?        59.78784 28.37606 0.000000       28.37606 
1 1 1 -29 26 10 o 55.81958 23.72332 42.20458       135.5601 24.24831       157.3775 93.83443       266.8609 57.17102 24.93396 73.41770 32.23239 -16.24668      40.75082 
1 1 1 -29 26 11 o 148.1342 17.85563 708.0579       151.9996 869.7097       182.9189 347.3986       273.2229 162.9400 19.53038 93.17060 35.71273 69.76937       40.70424 
1 1 1 -29 26 12 o 61.36551 24.73558 93.26933       136.9562 142.3266       160.4760 -38.26672      262.7731 69.07303 27.11974 64.90806 29.89059 4.164970       40.35998 
1 1 1 -29 26 13 o 103.8632 24.29406 382.0616       145.3324 389.5062       173.1431 364.3083       267.3766 101.9918 28.06643 94.02699 35.49611 7.964790       45.25150 
1 1 1 -29 26 14 o 96.77510 25.84980 341.5133       149.4916 268.5530       183.3081 486.3931       258.3105 84.50477 29.76623 106.6377 35.39384 -22.13295      46.24664 
1 1 1 -29 26 15 f 88.21232 34.81385 310.6873       265.6545 0.000000       0.000000 310.6873       265.6545 ?        ?        88.21232 34.81385 0.000000       34.81385 
1 1 1 -29 26 16 o 286.4317 14.00743 2560.812       234.5908 2164.796       273.0097 3678.362       458.6228 258.0724 18.15371 324.6523 24.26269 -66.57983      30.30240 
1 1 1 -29 26 17 o 130.5922 21.94418 586.4018       162.1142 554.9351       177.2592 747.2983       400.8261 124.1059 25.21482 117.1528 43.61889 6.953087       50.38249 
1 1 1 -29 26 18 o 68.32140 25.58671 154.9811       138.3260 223.3925       165.9494 -0.7558770     250.3844 77.89336 28.22076 64.44170 29.49086 13.45167       40.81816 
1 1 1 -29 26 19 o 49.39886 22.67260 -46.21919      149.4455 40.75841       166.0925 -416.0363      342.4836 58.37219 25.53312 57.32656 28.28356 1.045631       38.10380 
1 1 1 -29 26 20 o 68.24506 32.64804 -106.0732      370.1490 0.000000       0.000000 -106.0732      370.1490 ?        ?        68.24506 32.64804 0.000000       32.64804 
1 1 1 -29 26 21 f 91.82150 25.48306 316.6207       142.0629 0.000000       0.000000 316.6207       142.0629 ?        ?        91.82150 25.48306 0.000000       25.48306 
1 1 1 -29 26 22 o 141.4143 21.35465 691.8281       171.5938 0.000000       0.000000 691.8281       171.5938 ?        ?        141.4143 21.35465 0.000000       21.35465 
1 1 1 -29 26 23 o 51.43895 23.86869 -58.25883      172.2910 0.000000       0.000000 -58.25883      172.2910 ?        ?        51.43895 23.86869 0.000000       23.86869 
1 1 1 -29 27 1  o 194.4625 14.90914 1178.664       168.7386 1344.571       195.1291 686.7384       336.0007 206.6516 16.23042 124.1914 40.32166 82.46015       43.46565 
1 1 1 -29 27 2  o 60.19216 24.31212 83.49122       132.6047 17.37441       143.8147 458.6851       342.5904 54.83385 23.87618 103.0978 39.86635 -48.26392      46.46933 
1 1 1 -29 27 3  o 141.9934 18.28009 650.7361       148.7010 642.0447       165.5171 687.1082       338.5935 139.1432 20.93062 123.6820 40.49856 15.46125       45.58754 
1 1 1 -29 27 4  o 266.6460 35.04796 2769.878       534.8287 0.000000       0.000000 2769.878       534.8287 ?        ?        266.6460 35.04796 0.000000       35.04796 
1 1 1 -29 27 5  o 131.9793 23.78882 598.6367       177.3599 717.3104       190.0561 -201.6235      493.5376 145.3091 23.07195 76.89294 37.02229 68.41618       43.62299 
1 1 1 -29 27 6  o 80.88354 25.93259 231.7331       139.2632 182.8470       156.8216 414.1051       302.8950 74.17548 27.34474 99.31299 37.71438 -25.13751      46.58443 
1 1 1 -29 27 7  o 95.05970 25.00773 321.5692       141.2675 287.4568       162.0359 429.6422       288.4123 88.45810 27.92828 100.8255 37.09807 -12.36739      46.43550 
1 1 1 -29 27 8  o 50.92188 22.58081 -6.062185      134.1133 172.4213       154.6845 -546.4297      269.1488 72.52737 27.07854 47.56152 23.73450 24.96585       36.00797 
1 1 1 -29 27 9  o 50.02495 22.46325 -21.76709      137.1570 56.26851       161.1481 -226.8925      261.2693 60.29244 25.75248 56.29209 27.06073 4.000351       37.35603 
1 1 1 -29 27 10 o 62.75349 25.41869 98.40355       145.4144 98.01989       172.6604 99.33967       269.7019 65.34589 27.20960 73.34229 32.29417 -7.996407      42.22886 
1 1 1 -29 27 11 o 117.0674 22.91044 474.0148       151.6626 498.0692       183.3496 421.8943       269.8903 116.3561 27.33551 99.41640 35.99345 16.93968       45.19689 
1 1 1 -29 27 12 o 75.12898 26.14409 198.8587       141.1414 200.9880       164.7921 192.9964       273.4358 75.83240 28.01767 79.31683 33.70059 -3.484428      43.82602 
1 1 1 -29 27 13 o 72.69239 26.35446 182.3044       144.7584 195.2950       171.6660 150.3320       269.3123 75.12387 28.42367 75.81963 32.84594 -0.6957626     43.43686 
1 1 1 -29 27 14 o 158.9848 18.29373 826.6558       167.4669 930.1216       207.6790 634.3033       283.1674 165.1338 21.99011 119.5594 36.79328 45.57439       42.86386 
1 1 1 -29 27 15 o 47.20493 22.04771 -86.44463      150.8451 -171.2659      178.8111 122.9067       280.9183 47.04786 22.55653 74.25596 32.81646 -27.20810      39.82106 
1 1 1 -29 27 16 o 121.5236 22.89702 516.5239       157.2041 434.3081       193.6910 675.2208       269.1013 104.7819 29.99463 125.2602 35.18689 -20.47826      46.23629 
1 1 1 -29 27 17 o 162.7570 17.34343 862.4844       163.0012 786.9667       200.5087 1009.647       279.9026 149.3976 23.67264 160.7063 30.81870 -11.30869      38.86111 
1 1 1 -29 27 18 o 109.5809 36.62059 558.0908       276.4326 0.000000       0.000000 558.0908       276.4326 ?        ?        109.5809 36.62059 0.000000       36.62059 
1 1 1 -29 27 19 o 86.05179 26.51025 282.1465       146.9574 0.000000       0.000000 282.1465       146.9574 ?        ?        86.05179 26.51025 0.000000       26.51025 
1 1 1 -29 27 20 o 58.47759 25.67488 42.49305       169.3475 0.000000       0.000000 42.49305       169.3475 ?        ?        58.47759 25.67488 0.000000       25.67488 
1 1 1 -29 27 21 o 43.39436 20.69840 -129.5639      146.4649 0.000000       0.000000 -129.5639      146.4649 ?        ?        43.39436 20.69840 0.000000       20.69840 
1 1 1 -29 27 22 o 49.62386 22.75421 -36.62928      150.0381 0.000000       0.000000 -36.62928      150.0381 ?        ?        49.62386 22.75421 0.000000       22.75421 
1 1 1 -29 28 1  o 70.11555 26.58400 154.2113       150.3486 175.8633       169.0415 72.23301       328.9222 73.76147 28.13562 76.40464 34.50519 -2.643173      44.52214 
1 1 1 -29 28 2  o 71.26543 25.45495 168.8827       134.4620 133.5468       147.3494 344.7931       328.7653 67.31720 26.11392 93.23380 38.05068 -25.91660      46.14966 
1 1 1 -29 28 3  o 98.13625 23.52151 336.3701       133.6124 203.9048       146.7274 979.5606       323.3182 76.54577 26.65525 154.7234 36.26613 -78.17767      45.00816 
1 1 1 -29 28 4  o 192.8904 14.54652 1161.356       163.3458 1105.573       189.0052 1325.982       324.6913 185.6516 17.56797 188.8888 30.33672 -3.237122      35.05639 
1 1 1 -29 28 5  o 104.8118 24.87595 390.2279       150.6046 352.9361       171.7845 514.1037       313.0911 97.11583 28.38295 107.1131 38.76904 -9.997238      48.04821 
1 1 1 -29 28 6  o 83.08372 26.61630 250.1037       146.7253 294.1845       169.8510 120.4792       291.2641 88.68947 28.65818 76.15525 33.54548 12.53422       44.12018 
1 1 1 -29 28 7  o 118.5582 21.94435 479.4257       146.9643 574.5193       173.6082 238.9613       276.0706 128.4007 23.93465 83.37092 34.53382 45.02975       42.01729 
1 1 1 -29 28 8  o 75.54924 26.64588 200.2539       146.9261 227.1718       177.5048 141.6808       261.8416 79.48448 29.12742 75.34647 32.51345 4.138016       43.65239 
1 1 1 -29 28 9  o 101.0253 26.33761 374.5999       157.6225 539.5705       195.9988 72.57612       265.1983 120.1190 28.29185 70.85379 31.56647 49.26520       42.38951 
1 1 1 -29 28 10 o 48.74248 22.54464 -68.17079      151.8604 -153.8680      182.0532 127.8576       275.3432 48.58450 23.14675 74.83246 32.80037 -26.24796      40.14518 
1 1 1 -29 28 11 o 66.85439 26.74309 128.9910       158.8031 36.28069       193.1750 322.2440       278.9011 61.69576 27.24168 89.15755 35.51556 -27.46179      44.76007 
1 1 1 -29 28 12 o 78.32242 26.85016 223.2245       148.6530 256.8734       176.1531 139.9794       277.0670 82.57661 29.17141 75.34541 32.96716 7.231201       44.02051 
1 1 1 -29 28 13 o 99.35163 27.23314 371.7235       163.3781 455.0772       198.1317 194.6345       288.7934 107.4124 30.19941 79.25253 34.17205 28.15988       45.60409 
1 1 1 -29 28 14 o 107.9177 25.16710 424.0200       156.3451 391.8024       183.0405 510.9423       300.6536 99.95183 29.32195 104.1798 37.95002 -4.227936      47.95811 
1 1 1 -29 28 15 o 79.29374 33.81580 212.8900       277.0912 0.000000       0.000000 212.8900       277.0912 ?        ?        79.29374 33.81580 0.000000       33.81580 
1 1 1 -29 28 16 o 51.62457 23.65841 -40.01266      161.8954 0.000000       0.000000 -40.01266      161.8954 ?        ?        51.62457 23.65841 0.000000       23.65841 
1 1 1 -29 28 17 o 98.94805 29.46164 391.9706       183.6662 0.000000       0.000000 391.9706       183.6662 ?        ?        98.94805 29.46164 0.000000       29.46164 
1 1 1 -29 28 18 o 82.76242 30.15152 272.4896       189.7919 0.000000       0.000000 272.4896       189.7919 ?        ?        82.76242 30.15152 0.000000       30.15152 
1 1 1 -29 28 19 o 45.54549 21.89397 -166.4404      170.9949 0.000000       0.000000 -166.4404      170.9949 ?        ?        45.54549 21.89397 0.000000       21.89397 
1 1 1 -29 28 20 o 74.50784 29.09071 204.6101       183.7903 0.000000       0.000000 204.6101       183.7903 ?        ?        74.50784 29.09071 0.000000       29.09071 
1 1 1 -29 29 1  o 75.52016 26.27098 199.4611       142.5083 256.6459       156.8696 -70.65334      340.9354 83.65744 27.57482 69.96745 32.82951 13.68999       42.87363 
1 1 1 -29 29 2  o 78.44273 27.11451 219.8860       151.6970 108.5794       171.2966 624.4935       326.5918 66.15663 27.28356 115.8389 39.79524 -49.68230      48.24991 
1 1 1 -29 29 3  o 169.2177 16.28193 911.7991       159.5932 973.4977       181.9460 705.9581       332.3310 173.2502 18.17716 123.0857 40.11081 50.16454       44.03733 
1 1 1 -29 29 4  o 108.5624 23.09198 410.5193       142.4999 272.7402       160.6763 918.2240       308.4363 85.67445 27.88820 148.8698 35.77348 -63.19539      45.35960 
1 1 1 -29 29 5  o 104.9424 26.30558 402.6141       161.5714 363.2002       190.7947 502.5346       303.7867 96.54266 30.28168 105.3046 38.17825 -8.761963      48.72944 
1 1 1 -29 29 6  f 92.48501 26.21036 314.2968       148.6363 384.1959       172.1633 109.6886       294.5547 100.9504 28.06692 75.05172 33.36243 25.89871       43.59821 
1 1 1 -29 29 7  o 66.67249 25.78856 135.8659       143.3862 202.2739       163.0699 -90.47392      301.0535 75.88427 27.89970 65.35901 30.72464 10.52526       41.50177 
1 1 1 -29 29 8  o 77.08171 26.33361 213.2692       142.9601 208.3228       167.5599 226.5035       274.0783 76.63144 28.26277 81.52419 34.13852 -4.892754      44.31955 
1 1 1 -29 29 9  o 44.21959 20.80913 -101.7557      138.7381 -35.73288      160.2202 -299.6339      277.3762 52.19231 23.77230 54.90681 26.74490 -2.714504      35.78284 
1 1 1 -29 29 10 o 57.78618 24.61777 54.92797       146.5809 118.8241       167.7499 -151.3917      301.4361 66.28571 27.13137 62.52847 29.78840 3.757248       40.29218 
1 1 1 -29 29 11 o 61.62278 24.90036 99.92970       139.1640 71.58969       158.2887 196.4105       292.0588 60.58719 25.68765 79.28889 34.27689 -18.70170      42.83411 
1 1 1 -29 29 12 o 65.63881 26.43868 124.1697       156.3399 52.31861       180.0832 344.0294       315.0137 61.05455 26.64906 89.55599 36.97284 -28.50144      45.57591 
1 1 1 -29 29 13 o 97.25972 28.28004 367.3985       170.9279 0.000000       0.000000 367.3985       170.9279 ?        ?        97.25972 28.28004 0.000000       28.28004 
1 1 1 -29 29 14 o 87.57663 28.58954 300.0956       168.7979 0.000000       0.000000 300.0956       168.7979 ?        ?        87.57663 28.58954 0.000000       28.58954 
1 1 1 -29 29 15 o 87.78528 31.08233 314.8394       200.0805 0.000000       0.000000 314.8394       200.0805 ?        ?        87.78528 31.08233 0.000000       31.08233 
1 1 1 -29 29 16 o 161.8581 21.38205 900.7446       198.0113 0.000000       0.000000 900.7446       198.0113 ?        ?        161.8581 21.38205 0.000000       21.38205 
1 1 1 -29 29 17 o 250.6985 28.40524 2386.008       410.2879 0.000000       0.000000 2386.008       410.2879 ?        ?        250.6985 28.40524 0.000000       28.40524 
1 1 1 -29 29 18 o 136.4403 28.73360 724.1631       222.6467 0.000000       0.000000 724.1631       222.6467 ?        ?        136.4403 28.73360 0.000000       28.73360 
1 1 1 -29 30 1  o 75.68250 25.94857 202.8266       138.8387 157.5129       150.6098 459.1925       358.2355 69.84789 26.57791 99.37045 40.02264 -29.52256      48.04369 
1 1 1 -29 30 2  o 58.98672 24.53714 71.95666       140.2073 87.80335       155.0697 0.9728158      328.1992 62.25826 25.84355 71.54717 33.11010 -9.288918      42.00200 
1 1 1 -29 30 3  o 82.84932 27.06719 253.2545       151.2859 320.8142       172.4325 27.37392       315.2931 91.59795 28.79567 71.79771 32.94520 19.80025       43.75588 
1 1 1 -29 30 4  o 125.7613 23.37049 551.9786       166.0281 441.8565       196.0070 831.6656       312.3707 106.3105 30.08844 137.5739 37.63438 -31.26342      48.18362 
1 1 1 -29 30 5  o 147.6862 21.90303 744.4027       183.9717 936.9542       229.4288 397.6044       307.9023 162.8635 24.80202 94.93538 37.47603 67.92816       44.93988 
1 1 1 -29 30 6  o 87.91189 28.52440 295.4608       168.1651 137.0427       208.8456 587.5638       283.5901 70.93492 29.75861 114.1956 37.04115 -43.26070      47.51443 
1 1 1 -29 30 7  o 57.35570 24.66489 47.19118       149.6870 57.69909       176.5627 20.33922       282.2466 61.35492 26.58737 68.48224 31.32908 -7.127316      41.09014 
1 1 1 -29 30 8  o 114.2110 23.66261 462.4379       153.2818 701.9230       181.7693 -127.0758      285.1860 142.4436 22.50503 61.73587 29.28535 80.70772       36.93384 
1 1 1 -29 30 9  o 96.11434 36.33476 415.4823       280.3849 0.000000       0.000000 415.4823       280.3849 ?        ?        96.11434 36.33476 0.000000       36.33476 
1 1 1 -29 30 10 o 101.2581 24.37005 371.8183       142.9661 0.000000       0.000000 371.8183       142.9661 ?        ?        101.2581 24.37005 0.000000       24.37005 
1 1 1 -29 30 11 o 47.76367 22.07067 -59.63554      145.0299 0.000000       0.000000 -59.63554      145.0299 ?        ?        47.76367 22.07067 0.000000       22.07067 
1 1 1 -29 30 12 f 136.3050 24.38637 665.5768       187.7864 0.000000       0.000000 665.5768       187.7864 ?        ?        136.3050 24.38637 0.000000       24.38637 
1 1 1 -29 30 13 o 72.22416 29.21444 172.2797       191.7856 0.000000       0.000000 172.2797       191.7856 ?        ?        72.22416 29.21444 0.000000       29.21444 
1 1 1 -29 30 14 o 74.38057 29.37676 195.7147       189.2830 0.000000       0.000000 195.7147       189.2830 ?        ?        74.38057 29.37676 0.000000       29.37676 
1 1 1 -29 30 15 o 64.24070 27.43058 95.46036       182.7348 0.000000       0.000000 95.46036       182.7348 ?        ?        64.24070 27.43058 0.000000       27.43058 
1 1 1 -29 30 16 o 115.9377 28.23848 524.8918       190.2000 0.000000       0.000000 524.8918       190.2000 ?        ?        115.9377 28.23848 0.000000       28.23848 
1 1 1 -29 31 1  o 45.66973 21.31590 -83.02779      140.6005 -33.62992      154.5183 -320.7731      338.9861 51.36861 23.37706 60.15815 29.36079 -8.789543      37.53056 
1 1 1 -29 31 2  o 102.0534 25.03970 378.7629       148.7224 285.5745       167.4250 727.3610       323.8185 86.38803 28.48801 123.6814 39.53244 -37.29336      48.72762 
1 1 1 -29 31 3  o 132.4686 19.72278 587.2609       148.5603 502.4366       169.6423 866.3290       307.7012 117.7615 25.31636 140.8337 36.83942 -23.07223      44.69968 
1 1 1 -29 31 4  o 79.32271 27.10730 232.7880       151.4863 186.8074       177.5038 356.0623       290.6406 73.84084 28.65696 90.94020 36.24554 -17.09936      46.20563 
1 1 1 -29 31 5  f 99.03204 37.10806 450.7259       291.0269 0.000000       0.000000 450.7259       291.0269 ?        ?        99.03204 37.10806 0.000000       37.10806 
1 1 1 -29 31 6  o 78.80293 28.63504 231.1427       171.0267 0.000000       0.000000 231.1427       171.0267 ?        ?        78.80293 28.63504 0.000000       28.63504 
1 1 1 -29 31 7  o 88.79056 26.39305 296.3397       147.4964 0.000000       0.000000 296.3397       147.4964 ?        ?        88.79056 26.39305 0.000000       26.39305 
1 1 1 -29 31 8  o 57.48414 25.20436 34.31185       162.6968 0.000000       0.000000 34.31185       162.6968 ?        ?        57.48414 25.20436 0.000000       25.20436 
1 1 1 -29 31 9  o 70.12281 26.55714 167.3133       149.9455 0.000000       0.000000 167.3133       149.9455 ?        ?        70.12281 26.55714 0.000000       26.55714 
1 1 1 -29 31 10 o 72.23959 27.44079 182.1024       160.3781 0.000000       0.000000 182.1024       160.3781 ?        ?        72.23959 27.44079 0.000000       27.44079 
1 1 1 -29 31 11 o 157.0956 19.74662 829.7706       177.9215 0.000000       0.000000 829.7706       177.9215 ?        ?        157.0956 19.74662 0.000000       19.74662 
1 1 1 -29 31 12 o 41.86928 20.64487 -297.9559      181.5342 0.000000       0.000000 -297.9559      181.5342 ?        ?        41.86928 20.64487 0.000000       20.64487 
1 1 1 -29 31 13 o 122.0692 30.41546 601.2095       216.9459 0.000000       0.000000 601.2095       216.9459 ?        ?        122.0692 30.41546 0.000000       30.41546 
1 1 1 -29 32 1  o 128.4667 19.82915 554.1849       144.5947 243.9254       320.7136 633.3409       161.9931 83.03395 35.90751 136.5569 20.89010 -53.52298      41.54210 
1 1 1 -29 32 2  o 68.29043 26.21123 151.5308       147.3132 -176.9556      387.8438 206.9103       159.2475 67.99212 32.75764 75.69702 27.61261 -7.704903      42.84296 
1 1 1 -29 32 3  o 46.47468 21.85623 -100.6864      152.6160 254.2439       394.2167 -163.2599      165.5231 85.08851 38.15549 45.19011 21.67546 39.89840       43.88242 
1 1 1 -29 32 4  o 79.62533 28.56725 238.4022       169.5504 0.000000       0.000000 238.4022       169.5504 ?        ?        79.62533 28.56725 0.000000       28.56725 
1 1 1 -29 32 5  o 68.83122 28.42111 136.8674       186.1814 0.000000       0.000000 136.8674       186.1814 ?        ?        68.83122 28.42111 0.000000       28.42111 
1 1 1 -29 32 6  o 51.73254 23.91649 -58.31597      170.6122 0.000000       0.000000 -58.31597      170.6122 ?        ?        51.73254 23.91649 0.000000       23.91649 
1 1 1 -29 32 7  o 140.9496 21.17942 681.0184       169.6680 0.000000       0.000000 681.0184       169.6680 ?        ?        140.9496 21.17942 0.000000       21.17942 
1 1 1 -29 32 8  o 107.7558 28.39320 452.5229       181.9171 0.000000       0.000000 452.5229       181.9171 ?        ?        107.7558 28.39320 0.000000       28.39320 
1 1 1 -29 32 9  o 54.96239 25.27399 -36.89826      186.9233 0.000000       0.000000 -36.89826      186.9233 ?        ?        54.96239 25.27399 0.000000       25.27399 
1 1 1 -28 0  1  o 58.69865 39.99947 -213.1272      424.1911 -213.1272      424.1911 -213.1272      424.1911 58.69865 39.99947 58.69865 39.99947 0.000000       0.000000 
1 1 1 -28 0  2  o 255.3958 32.69580 2053.902       467.7766 2053.902       467.7766 2053.902       467.7766 255.3958 32.69580 255.3958 32.69580 0.000000       0.000000 
1 1 1 -28 0  3  o 88.07415 51.70627 307.3867       450.5137 307.3867       450.5137 307.3867       450.5137 88.07415 51.70627 88.07415 51.70627 0.000000       0.000000 
1 1 1 -28 0  4  o 224.4369 38.43377 1649.549       461.4004 1649.549       461.4004 1649.549       461.4004 224.4369 38.43377 224.4369 38.43377 0.000000       0.000000 
1 1 1 -28 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  6  o 321.9903 20.85890 3114.275       390.0564 3114.275       390.0564 3114.275       390.0564 321.9903 20.85890 321.9903 20.85890 0.000000       0.000000 
1 1 1 -28 0  7  o 52.43745 35.53411 -144.7686      325.2866 -144.7686      325.2866 -144.7686      325.2866 52.43745 35.53411 52.43745 35.53411 0.000000       0.000000 
1 1 1 -28 0  8  o 46.58473 32.46600 -279.6671      319.8216 -279.6671      319.8216 -279.6671      319.8216 46.58473 32.46600 46.58473 32.46600 0.000000       0.000000 
1 1 1 -28 0  9  o 189.7436 32.59524 1172.455       330.6292 1172.455       330.6292 1172.455       330.6292 189.7436 32.59524 189.7436 32.59524 0.000000       0.000000 
1 1 1 -28 0  10 o 59.03099 38.11056 16.96794       307.3263 16.96794       307.3263 16.96794       307.3263 59.03099 38.11056 59.03099 38.11056 0.000000       0.000000 
1 1 1 -28 0  11 o 98.35898 46.13089 439.7337       298.2285 439.7337       298.2285 439.7337       298.2285 98.35898 46.13089 98.35898 46.13089 0.000000       0.000000 
1 1 1 -28 0  12 o 110.3768 45.20366 523.4949       288.4437 523.4949       288.4437 523.4949       288.4437 110.3768 45.20366 110.3768 45.20366 0.000000       0.000000 
1 1 1 -28 0  13 o 446.8737 16.54420 5936.303       432.2413 5936.303       432.2413 5936.303       432.2413 446.8737 16.54420 446.8737 16.54420 0.000000       0.000000 
1 1 1 -28 0  14 o 208.6108 24.89901 1356.662       293.1802 1356.662       293.1802 1356.662       293.1802 208.6108 24.89901 208.6108 24.89901 0.000000       0.000000 
1 1 1 -28 0  15 o 273.7101 19.00827 2258.219       301.6908 2258.219       301.6908 2258.219       301.6908 273.7101 19.00827 273.7101 19.00827 0.000000       0.000000 
1 1 1 -28 0  16 o 156.1076 31.40923 817.5434       254.9152 817.5434       254.9152 817.5434       254.9152 156.1076 31.40923 156.1076 31.40923 0.000000       0.000000 
1 1 1 -28 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  18 o 288.2519 17.82881 2497.292       298.7300 2497.292       298.7300 2497.292       298.7300 288.2519 17.82881 288.2519 17.82881 0.000000       0.000000 
1 1 1 -28 0  19 o 410.7387 15.89763 5026.728       381.6506 5026.728       381.6506 5026.728       381.6506 410.7387 15.89763 410.7387 15.89763 0.000000       0.000000 
1 1 1 -28 0  20 o 318.8786 16.61038 3046.519       308.7032 3046.519       308.7032 3046.519       308.7032 318.8786 16.61038 318.8786 16.61038 0.000000       0.000000 
1 1 1 -28 0  21 o 27.76022 20.38451 -593.2270      222.7209 -593.2270      222.7209 -593.2270      222.7209 27.76022 20.38451 27.76022 20.38451 0.000000       0.000000 
1 1 1 -28 0  22 o 159.8763 25.82535 831.3535       223.2074 831.3535       223.2074 831.3535       223.2074 159.8763 25.82535 159.8763 25.82535 0.000000       0.000000 
1 1 1 -28 0  23 o 54.60611 33.38356 96.93289       203.2864 96.93289       203.2864 96.93289       203.2864 54.60611 33.38356 54.60611 33.38356 0.000000       0.000000 
1 1 1 -28 0  24 o 37.70730 26.05517 -132.1150      194.8685 -132.1150      194.8685 -132.1150      194.8685 37.70730 26.05517 37.70730 26.05517 0.000000       0.000000 
1 1 1 -28 0  25 o 56.83975 33.90175 128.1092       199.2583 128.1092       199.2583 128.1092       199.2583 56.83975 33.90175 56.83975 33.90175 0.000000       0.000000 
1 1 1 -28 0  26 o 257.5732 15.87642 2011.955       237.7196 2011.955       237.7196 2011.955       237.7196 257.5732 15.87642 257.5732 15.87642 0.000000       0.000000 
1 1 1 -28 0  27 o 47.32333 30.13217 44.25715       183.9612 44.25715       183.9612 44.25715       183.9612 47.32333 30.13217 47.32333 30.13217 0.000000       0.000000 
1 1 1 -28 0  28 o 229.0675 16.88455 1608.693       223.9360 1608.693       223.9360 1608.693       223.9360 229.0675 16.88455 229.0675 16.88455 0.000000       0.000000 
1 1 1 -28 0  29 o 135.3382 26.84754 631.2132       189.3402 631.2132       189.3402 631.2132       189.3402 135.3382 26.84754 135.3382 26.84754 0.000000       0.000000 
1 1 1 -28 0  30 o 258.5894 15.68731 2041.663       235.8824 2041.663       235.8824 2041.663       235.8824 258.5894 15.68731 258.5894 15.68731 0.000000       0.000000 
1 1 1 -28 0  31 o 66.74814 35.09805 226.7083       181.9964 226.7083       181.9964 226.7083       181.9964 66.74814 35.09805 66.74814 35.09805 0.000000       0.000000 
1 1 1 -28 0  32 o 45.90145 29.72213 33.56972       188.7874 33.56972       188.7874 33.56972       188.7874 45.90145 29.72213 45.90145 29.72213 0.000000       0.000000 
1 1 1 -28 0  33 o 53.03019 31.88235 122.8888       178.9757 122.8888       178.9757 122.8888       178.9757 53.03019 31.88235 53.03019 31.88235 0.000000       0.000000 
1 1 1 -28 0  34 o 197.8236 19.31363 1246.214       218.8345 1246.214       218.8345 1246.214       218.8345 197.8236 19.31363 197.8236 19.31363 0.000000       0.000000 
1 1 1 -28 0  35 o 39.57552 26.51005 -22.58216      171.3923 -22.58216      171.3923 -22.58216      171.3923 39.57552 26.51005 39.57552 26.51005 0.000000       0.000000 
1 1 1 -28 0  36 o 128.6122 26.50665 589.9892       176.5665 589.9892       176.5665 589.9892       176.5665 128.6122 26.50665 128.6122 26.50665 0.000000       0.000000 
1 1 1 -28 0  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 0  38 o 47.60229 31.62533 23.62156       235.3744 23.62156       235.3744 23.62156       235.3744 47.60229 31.62533 47.60229 31.62533 0.000000       0.000000 
1 1 1 -28 0  39 o 42.51192 29.14481 -63.92398      232.7693 -63.92398      232.7693 -63.92398      232.7693 42.51192 29.14481 42.51192 29.14481 0.000000       0.000000 
1 1 1 -28 1  1  o 141.9469 37.63261 657.1786       318.3256 300.5188       439.9908 1048.902       461.1121 114.1290 44.87682 176.9036 44.49328 -62.77467      63.19479 
1 1 1 -28 1  2  o 467.6842 16.67036 6515.921       456.5128 5870.387       615.2828 7306.499       680.9065 440.2361 23.92066 491.4131 23.69583 -51.17706      33.67032 
1 1 1 -28 1  3  o 603.8629 25.23684 11072.41       891.7960 0.000000       0.000000 11072.41       891.7960 ?        ?        603.8629 25.23684 0.000000       25.23684 
1 1 1 -28 1  4  o 471.3105 16.53786 6617.396       456.4187 6909.112       657.3091 6345.783       634.2552 477.8088 23.52896 457.7643 23.70575 20.04456       33.40022 
1 1 1 -28 1  5  o 169.2706 29.21000 900.6548       279.5016 1003.961       439.0662 830.2679       362.4200 173.1906 43.33642 158.8161 39.16108 14.37454       58.40920 
1 1 1 -28 1  6  o 178.4597 26.49991 988.5290       268.9455 761.4240       418.6430 1148.121       350.9430 150.9509 44.36134 190.0989 32.65413 -39.14806      55.08376 
1 1 1 -28 1  7  o 126.9251 31.72810 517.8184       235.5187 460.6504       327.4770 579.0685       338.9676 121.0019 39.83931 133.1778 40.11085 -12.17591      56.53362 
1 1 1 -28 1  8  o 134.2264 30.10112 575.7373       231.0998 535.4268       319.1402 620.1782       335.0920 128.4013 38.97336 137.3094 39.49833 -8.908081      55.48910 
1 1 1 -28 1  9  o 129.2155 30.11975 534.9617       224.0199 607.8333       324.4065 468.5359       309.7270 135.8968 38.79118 121.0847 38.65845 14.81210       54.76524 
1 1 1 -28 1  10 o 68.50230 29.48600 1.851579       214.3067 -166.7416      300.1930 177.0792       306.0425 70.49457 32.27227 93.46458 37.21266 -22.97001      49.25730 
1 1 1 -28 1  11 o 161.9559 23.34299 810.7439       215.3262 954.6768       296.8007 650.8050       312.8686 173.2313 30.31761 140.2025 37.37233 33.02879       48.12326 
1 1 1 -28 1  12 o 317.7734 12.86913 2999.230       239.3414 3212.717       339.6836 2788.743       337.2889 327.0468 17.77665 304.1186 19.00575 22.92813       26.02361 
1 1 1 -28 1  13 o 238.2859 15.37950 1699.590       213.7792 1718.529       305.4497 1681.405       299.3027 237.0370 22.23164 234.5351 22.01713 2.501907       31.28897 
1 1 1 -28 1  14 o 287.3669 13.21066 2457.651       222.0488 2600.540       317.2090 2320.359       310.9337 293.5722 18.51819 276.9226 19.26528 16.64957       26.72218 
1 1 1 -28 1  15 o 72.70891 28.89377 100.9581       184.1651 53.14254       260.8935 148.4490       260.0062 78.18922 33.05655 85.78279 34.25151 -7.593575      47.60148 
1 1 1 -28 1  16 o 79.95526 29.14358 172.4694       177.3469 316.4775       246.4153 17.71869       255.4409 101.2820 34.57364 74.78780 32.19159 26.49422       47.24018 
1 1 1 -28 1  17 o 301.3591 11.86000 2698.194       209.2044 2673.248       294.1402 2723.731       297.6097 297.9772 16.90072 300.7675 16.94044 -2.790314      23.92933 
1 1 1 -28 1  18 o 219.8828 14.66687 1450.229       188.0568 1561.768       269.2794 1344.036       262.7459 225.8491 20.55482 208.8516 21.77024 16.99757       29.94067 
1 1 1 -28 1  19 o 444.4787 11.14286 5863.468       290.2388 5742.951       409.8823 5984.666       411.0396 437.1058 16.01611 446.4170 15.72429 -9.311157      22.44480 
1 1 1 -28 1  20 o 208.7578 15.38751 1314.736       187.0676 1385.364       260.9020 1240.011       268.3627 211.6803 21.30531 199.1029 23.43036 12.57744       31.66857 
1 1 1 -28 1  21 o 72.37311 27.55328 129.8263       161.9203 113.7810       234.7130 144.3967       223.6659 78.71238 32.14054 80.35199 31.87070 -1.639610      45.26318 
1 1 1 -28 1  22 o 201.0555 14.37137 1220.628       168.3415 1064.025       240.4331 1371.225       235.7769 183.6678 22.81091 210.7980 19.28489 -27.13028      29.87047 
1 1 1 -28 1  23 o 323.9085 11.06614 3131.611       209.9088 3297.257       297.6419 2967.702       296.0761 329.6607 15.43776 312.1694 16.22767 17.49130       22.39780 
1 1 1 -28 1  24 o 121.5119 21.71591 475.1441       149.0758 521.8306       204.0667 421.7166       218.3025 123.7838 28.67346 109.7374 31.97456 14.04639       42.94810 
1 1 1 -28 1  25 o 114.5978 21.64782 426.3978       140.1619 370.2421       195.3360 485.9955       201.2333 102.8676 30.32124 118.3534 29.17920 -15.48576      42.08091 
1 1 1 -28 1  26 o 85.55127 25.49341 246.6895       137.4781 235.3422       193.0317 258.3701       195.8456 84.86810 30.47726 87.73761 30.77840 -2.869507      43.31482 
1 1 1 -28 1  27 o 62.21492 24.56570 91.06341       132.3314 45.21947       189.9786 134.2705       184.4342 64.80711 27.82683 72.50999 28.88210 -7.702881      40.10621 
1 1 1 -28 1  28 o 250.5991 11.21386 1893.883       164.3931 2040.690       238.2578 1760.485       227.1160 256.6177 15.90930 237.9084 16.37741 18.70935       22.83255 
1 1 1 -28 1  29 o 56.67114 23.48827 53.76208       127.8180 38.58176       174.5145 71.32901       187.7323 61.59242 26.56073 66.00719 27.97980 -4.414764      38.57903 
1 1 1 -28 1  30 o 173.6913 14.28359 935.0400       144.2164 893.2974       197.7662 982.4476       210.7589 164.8599 20.92515 172.6797 21.25931 -7.819809      29.82985 
1 1 1 -28 1  31 o 106.1678 22.02899 383.0934       132.6645 326.7384       181.6558 447.5029       194.2041 93.43948 29.57972 109.2203 29.59013 -15.78085      41.83940 
1 1 1 -28 1  32 o 66.65325 24.63626 140.0660       127.4379 83.46684       168.5146 215.6777       194.7724 63.69280 26.72650 79.02278 30.18684 -15.32998      40.31812 
1 1 1 -28 1  33 f 189.6693 13.63444 1119.185       150.6528 970.9395       190.6385 1365.735       245.8516 171.8380 19.24681 201.9605 21.06594 -30.12257      28.53443 
1 1 1 -28 1  34 o 146.3889 17.46528 697.1097       146.9916 643.3621       198.9963 761.6513       218.0647 132.5721 26.52112 144.2841 26.75504 -11.71202      37.67230 
1 1 1 -28 1  35 o 46.89796 21.29458 -30.70293      127.3223 24.84403       183.3964 -82.38488      176.9010 59.02509 26.27639 51.12676 23.87835 7.898335       35.50527 
1 1 1 -28 1  36 o 52.48412 22.71157 31.39558       128.4753 124.5717       183.2390 -58.69803      180.1825 66.98248 27.97162 52.78007 24.46269 14.20241       37.15958 
1 1 1 -28 1  37 o 51.26686 22.86913 3.949539       139.6512 28.40376       185.1119 -28.35328      212.7540 58.72380 26.25328 57.98089 26.77046 0.7429123      37.49523 
1 1 1 -28 1  38 o 70.37617 26.91372 177.9432       154.9370 139.4397       206.4390 227.6055       234.4526 68.71296 29.24191 77.03607 31.85924 -8.323112      43.24466 
1 1 1 -28 1  39 o 49.28281 22.65633 -36.00068      150.0717 -112.9848      208.9336 46.04662       215.6948 52.52356 24.95890 62.02162 27.98206 -9.498062      37.49590 
1 1 1 -28 2  1  o 383.2035 17.27020 4382.368       387.1328 4721.706       543.3557 4032.505       551.7170 394.8733 23.56985 363.5354 26.04999 31.33789       35.13033 
1 1 1 -28 2  2  o 486.9265 16.78686 7064.652       478.6670 6775.945       655.3417 7394.819       700.8189 473.1571 23.69168 493.9658 24.26552 -20.80872      33.91328 
1 1 1 -28 2  3  o 454.0781 16.56261 6142.729       440.3334 5525.742       584.7398 6950.890       669.2271 427.2799 23.42417 479.0587 23.89502 -51.77875      33.46138 
1 1 1 -28 2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 2  5  o 562.2151 17.13503 9426.549       564.3270 9097.271       772.0705 9804.262       826.9063 547.8483 24.08846 568.1629 24.87636 -20.31464      34.62784 
1 1 1 -28 2  6  o 406.9008 14.33413 4916.643       341.5320 5045.340       541.3483 4831.548       440.1918 408.3921 22.69132 401.5828 18.74200 6.809326       29.43057 
1 1 1 -28 2  7  o 315.8829 14.21262 2965.401       262.6255 2831.868       360.0151 3117.285       383.9570 306.6285 20.13105 321.6302 20.46128 -15.00168      28.70406 
1 1 1 -28 2  8  o 176.0342 23.85872 953.9485       239.9823 952.4078       325.4168 955.7854       355.3243 172.2327 33.42197 171.2570 36.49448 0.9757538      49.48611 
1 1 1 -28 2  9  o 55.66521 26.18007 -215.3936      219.0358 -374.7602      303.8625 -43.01722      316.0220 62.00196 29.63947 79.41795 34.96392 -17.41599      45.83638 
1 1 1 -28 2  10 o 147.7764 26.00263 684.4733       217.1326 460.8127       298.8633 934.5122       315.9961 119.8193 37.94199 170.4867 32.79446 -50.66737      50.15049 
1 1 1 -28 2  11 o 253.1096 19.74417 1937.363       290.7708 2633.294       628.8580 1748.118       327.9311 284.1793 38.73961 238.7437 23.73472 45.43553       45.43230 
1 1 1 -28 2  12 o 503.0782 11.82404 7492.650       348.8606 7487.675       492.9140 7497.644       493.8141 500.2173 16.82599 500.5386 16.84592 -0.3213196     23.80964 
1 1 1 -28 2  13 o 192.2758 18.04484 1118.235       201.1050 856.0123       277.2504 1409.389       292.1446 163.5571 30.00917 213.8513 23.69041 -50.29422      38.23331 
1 1 1 -28 2  14 o 193.6526 17.24366 1132.123       193.7947 1308.578       273.1070 953.1644       275.0374 206.1321 22.98148 173.5201 27.97790 32.61198       36.20651 
1 1 1 -28 2  15 o 327.9999 12.20902 3195.298       234.4479 3095.860       330.7236 3295.747       332.4015 320.6395 17.65539 331.0860 17.17747 -10.44647      24.63287 
1 1 1 -28 2  16 o 182.0807 18.16388 1006.905       191.3795 1111.039       269.7230 901.3239       271.5898 188.5964 25.00086 168.0087 28.58612 20.58766       37.97643 
1 1 1 -28 2  17 o 357.4957 11.48386 3792.636       240.4613 3395.724       327.0563 4259.632       354.7577 336.0527 16.64633 376.7662 16.09203 -40.71350      23.15283 
1 1 1 -28 2  18 o 394.2361 10.90877 4608.306       251.9794 4475.584       355.1532 4742.835       357.5645 386.2364 15.71157 397.8188 15.35446 -11.58240      21.96845 
1 1 1 -28 2  19 o 122.8721 24.30635 481.0651       168.9496 490.5739       235.4767 470.9771       242.5414 121.3141 32.46049 118.7084 33.42616 2.605698       46.59391 
1 1 1 -28 2  20 o 164.8248 17.73178 830.3440       168.7129 737.0602       224.4299 951.5614       255.8351 151.6523 26.17969 172.7990 26.05374 -21.14671      36.93472 
1 1 1 -28 2  21 f 52.13586 23.74911 -80.65906      159.9613 -113.1165      224.1668 -46.98488      228.3297 60.91782 27.88797 65.64126 29.26423 -4.723438      40.42443 
1 1 1 -28 2  22 o 217.6238 13.28958 1423.661       168.8078 1445.369       239.8506 1402.355       237.6254 216.5198 19.08339 213.1826 19.21191 3.337189       27.07902 
1 1 1 -28 2  23 o 77.54633 26.49165 185.8145       144.6810 -0.3580071     192.7878 425.8628       218.9127 63.04935 27.54534 111.0302 31.92080 -47.98088      42.16258 
1 1 1 -28 2  24 o 130.9686 19.78074 542.8906       147.2048 503.8625       201.0475 587.9930       216.1275 121.5250 28.67464 131.4274 28.83393 -9.902397      40.66486 
1 1 1 -28 2  25 o 105.6042 23.32333 368.8563       140.5894 429.6056       192.5211 299.4458       205.7881 111.1387 29.17293 93.50333 31.59940 17.63533       43.00676 
1 1 1 -28 2  26 o 159.5175 14.77938 782.1662       136.6939 787.0793       191.6619 777.0799       195.0104 156.1955 21.49178 154.7915 22.10864 1.403976       30.83324 
1 1 1 -28 2  27 o 97.30504 23.96379 320.2255       135.8366 389.4088       189.3809 246.9181       194.9438 104.4790 29.57732 85.72092 30.64621 18.75813       42.59118 
1 1 1 -28 2  28 o 169.0490 14.80216 882.6065       145.2743 781.7745       199.0696 997.4852       212.4836 153.9591 22.72962 175.4631 21.06949 -21.50400      30.99289 
1 1 1 -28 2  29 o 85.81664 24.71516 254.2492       131.1267 189.7626       183.6393 321.3304       187.2972 77.52321 29.38298 93.99352 30.06784 -16.47031      42.04087 
1 1 1 -28 2  30 o 51.34481 22.33671 9.712607       125.6272 250.4816       176.6725 -236.5361      178.6717 83.95610 29.24821 44.93618 21.79050 39.01992       36.47305 
1 1 1 -28 2  31 o 230.7325 11.23726 1617.497       151.6043 1697.654       214.0700 1536.842       214.7334 232.5144 15.79211 220.2853 16.74673 12.22908       23.01834 
1 1 1 -28 2  32 o 44.45227 20.43989 -57.72010      122.2336 15.57181       166.3192 -143.8026      180.2486 57.44217 25.32397 49.13953 23.30192 8.302643       34.41342 
1 1 1 -28 2  33 o 56.47966 23.59803 59.61555       130.5184 47.76015       173.2690 75.16615       198.4433 60.54257 26.28617 65.38121 28.25941 -4.838642      38.59478 
1 1 1 -28 2  34 o 118.3422 21.48601 480.6730       143.6328 467.6076       192.1194 497.2303       216.2742 109.7231 29.30278 110.7062 31.69647 -0.9830093     43.16618 
1 1 1 -28 2  35 o 129.9104 18.37370 559.3700       136.0853 658.6478       183.6780 438.5591       202.6208 136.0908 23.88395 103.5579 30.97106 32.53295       39.11074 
1 1 1 -28 2  36 o 161.5738 15.29163 835.0988       143.1780 750.8763       198.7492 925.9639       206.4382 144.6136 24.29454 163.2271 22.13476 -18.61345      32.86597 
1 1 1 -28 2  37 o 64.24264 24.68131 134.8924       130.7043 222.4363       175.9262 27.03692       195.2714 76.25983 28.79194 59.63820 26.78961 16.62163       39.32759 
1 1 1 -28 2  38 o 88.53366 26.03948 302.9944       144.1946 369.9805       194.5741 221.3878       214.7612 93.29654 30.70846 76.15918 30.87540 17.13736       43.54652 
1 1 1 -28 2  39 o 61.87996 25.21103 113.5441       144.0248 43.05789       195.6523 196.9183       212.7887 60.07338 26.91361 73.20778 30.32082 -13.13440      40.54250 
1 1 1 -28 3  1  o 216.1787 24.76967 1431.703       308.3745 1118.291       415.6463 1815.441       459.9219 184.7622 39.55199 239.7897 33.62714 -55.02750      51.91478 
1 1 1 -28 3  2  f 338.9265 24.22247 3490.358       478.3018 3490.358       478.3018 0.000000       0.000000 338.9265 24.22247 ?        ?        0.000000       24.22247 
1 1 1 -28 3  3  o 454.1055 24.57654 6260.747       652.0886 0.000000       0.000000 6260.747       652.0886 ?        ?        454.1055 24.57654 0.000000       24.57654 
1 1 1 -28 3  4  o 368.6695 18.67278 4071.310       402.4206 0.000000       0.000000 4071.310       402.4206 ?        ?        368.6695 18.67278 0.000000       18.67278 
1 1 1 -28 3  5  o 478.7999 13.92236 6800.212       390.5314 7061.045       634.0690 6640.788       495.7152 483.5439 22.41991 471.3615 17.96484 12.18237       28.72956 
1 1 1 -28 3  6  o 582.8429 14.33935 10076.93       490.1530 9938.420       796.8505 10161.24       621.6752 572.6674 23.77769 582.9690 18.20540 -10.30164      29.94687 
1 1 1 -28 3  7  o 64.60170 29.46069 -134.8992      247.0368 208.3486       361.3680 -436.0431      338.4798 101.0988 40.37541 64.66972 31.01282 36.42912       50.91138 
1 1 1 -28 3  8  o 213.5279 19.45398 1377.292       240.9479 1402.333       325.8065 1347.064       357.9624 212.8149 26.68941 206.9384 30.40042 5.876511       40.45380 
1 1 1 -28 3  9  o 46.33617 22.76424 -420.4220      214.1816 -97.55926      278.9095 -884.4708      334.3769 71.31298 32.02680 51.99007 26.02118 19.32291       41.26521 
1 1 1 -28 3  10 o 54.95002 25.80813 -202.9022      211.5779 130.5807       281.1647 -638.2803      321.2605 87.16226 35.33076 55.99112 27.58038 31.17114       44.82119 
1 1 1 -28 3  11 o 206.9789 17.69595 1291.075       212.7492 1293.239       292.8855 1288.658       309.5514 204.5063 24.93462 203.4425 26.57920 1.063812       36.44433 
1 1 1 -28 3  12 o 150.7550 23.93201 707.6771       204.5310 678.4286       279.4625 741.4149       300.1447 143.9521 33.70027 150.1863 34.76388 -6.234222      48.41731 
1 1 1 -28 3  13 o 105.4114 30.23625 356.7706       196.6313 266.6006       269.2615 459.8008       287.8230 97.80946 35.86917 118.7966 37.18286 -20.98717      51.66394 
1 1 1 -28 3  14 o 47.58216 22.90075 -265.9189      188.4032 -336.1601      255.6372 -182.4052      278.7449 55.96012 26.86640 66.25180 30.60805 -10.29168      40.72660 
1 1 1 -28 3  15 o 309.0393 12.52577 2839.211       226.5520 2559.677       311.9032 3151.396       329.6159 291.1241 18.36154 323.5867 17.43305 -32.46255      25.31911 
1 1 1 -28 3  16 o 187.5720 17.63918 1066.149       191.7650 962.5150       258.2117 1193.611       286.3609 174.9024 25.95910 195.2538 25.62500 -20.35135      36.47623 
1 1 1 -28 3  17 o 129.5826 24.81814 532.6684       181.7454 446.0938       254.6803 622.5089       259.4395 116.1799 34.71704 137.2015 32.70634 -21.02163      47.69672 
1 1 1 -28 3  18 o 77.47209 28.25122 162.5296       166.6798 90.57719       229.9353 242.2087       241.9663 76.98579 31.66558 92.56761 33.99334 -15.58183      46.45704 
1 1 1 -28 3  19 o 413.0542 11.04468 5064.250       267.3134 5460.661       389.2288 4710.361       367.7604 426.3916 15.59113 395.8044 15.87508 30.58722       22.25088 
1 1 1 -28 3  20 o 134.7803 22.70003 573.4102       173.0640 564.5527       241.9968 582.6824       247.5981 129.7765 32.00013 131.7411 32.29899 -1.964645      45.46683 
1 1 1 -28 3  21 o 332.8657 11.44876 3300.056       223.1676 3281.988       312.7789 3318.792       318.5126 329.3940 16.24099 331.1067 16.45398 -1.712738      23.11932 
1 1 1 -28 3  22 o 56.50490 24.58491 -4.909631      152.2328 34.25250       203.9100 -54.22243      228.8154 67.74694 28.95334 64.81052 29.06525 2.936417       41.02541 
1 1 1 -28 3  23 o 198.7186 13.59477 1193.155       157.4843 1193.893       212.7928 1192.261       234.1719 196.2413 18.71550 194.8877 20.80963 1.353638       27.98768 
1 1 1 -28 3  24 o 83.60152 25.85653 229.9791       139.6367 193.4477       190.7237 272.1843       205.0005 80.85541 30.09151 90.80708 31.51353 -9.951668      43.57294 
1 1 1 -28 3  25 o 224.5214 12.62318 1523.407       165.5482 1469.120       225.2272 1587.204       244.1581 217.3110 17.82874 225.3291 18.64249 -8.018066      25.79547 
1 1 1 -28 3  26 o 134.5470 18.01128 571.0129       138.5578 719.5457       191.7382 408.6714       200.4528 148.4029 22.75474 107.0948 30.46731 41.30816       38.02676 
1 1 1 -28 3  27 o 118.8223 19.57124 454.7382       131.6409 429.5588       181.4581 482.7128       191.2654 110.6451 27.95726 117.3120 28.15821 -6.666855      39.67988 
1 1 1 -28 3  28 o 138.4757 16.48319 601.6648       131.2402 771.4720       177.5641 397.2081       194.8398 154.7507 20.03436 104.6501 30.12331 50.10061       36.17720 
1 1 1 -28 3  29 o 117.8547 18.96266 449.3340       126.6222 417.0703       171.4741 488.0237       187.7759 108.5093 27.04295 117.0895 27.76797 -8.580170      38.76056 
1 1 1 -28 3  30 o 86.49142 24.16395 260.6556       127.2763 385.3579       172.5307 111.7650       188.5223 102.9112 27.89409 69.04547 28.56294 33.86571       39.92395 
1 1 1 -28 3  31 o 86.97686 24.01354 265.3504       126.5141 415.5814       171.3986 85.52472       187.5226 106.8930 27.25958 66.14765 27.99837 40.74539       39.07677 
1 1 1 -28 3  32 o 141.8358 16.18791 640.4302       132.2484 767.2323       175.5822 474.1775       201.0488 152.2640 20.15687 111.2849 30.08906 40.97913       36.21672 
1 1 1 -28 3  33 o 139.4740 17.03331 627.7841       136.4421 665.5414       179.2605 575.7859       210.3676 138.9771 22.78199 122.7510 29.57368 16.22610       37.33124 
1 1 1 -28 3  34 o 53.46146 22.97905 34.81208       129.8044 -21.09481      172.9661 106.8951       196.4015 54.81304 24.86130 67.24517 28.56617 -12.43213      37.86965 
1 1 1 -28 3  35 o 35.07270 17.32710 -244.2694      130.0367 -183.6131      190.3461 -297.3520      178.0666 47.85992 23.03037 41.45733 20.44270 6.402588       30.79451 
1 1 1 -28 3  36 o 178.3639 14.31171 1006.603       148.4539 1135.537       208.8689 874.9761       211.0392 183.7565 19.68774 156.9044 23.66956 26.85204       30.78726 
1 1 1 -28 3  37 o 80.25571 26.36188 247.4955       143.4194 33.91114       197.1736 487.4546       208.9934 60.25920 27.00583 107.4394 31.27977 -47.18020      41.32480 
1 1 1 -28 3  38 o 94.40659 26.38628 345.8370       151.7299 429.1154       202.6783 239.6573       228.8556 100.1246 31.18140 77.97820 31.77610 22.14638       44.51966 
1 1 1 -28 3  39 o 62.14522 25.44236 114.0765       147.5557 -35.47770      195.8725 310.3116       224.3689 55.04607 25.51037 83.76567 32.29681 -28.71960      41.15657 
1 1 1 -28 4  1  o 79.91875 34.22082 19.63408       285.8482 -97.06207      379.0627 173.4781       435.2343 84.34679 37.64800 105.2880 43.46251 -20.94118      57.50097 
1 1 1 -28 4  2  o 411.8214 16.74302 5056.932       403.5400 4947.051       544.1389 5191.224       601.5544 404.3426 23.04153 413.1447 24.94306 -8.802185      33.95686 
1 1 1 -28 4  3  o 372.5483 18.81082 4158.697       409.6691 0.000000       0.000000 4158.697       409.6691 ?        ?        372.5483 18.81082 0.000000       18.81082 
1 1 1 -28 4  4  o 489.0659 13.63706 7091.355       390.7639 7366.778       637.7539 6925.803       494.4496 494.1540 22.06158 481.6024 17.53511 12.55157       28.18144 
1 1 1 -28 4  5  o 546.2468 13.95385 8851.046       446.6607 7491.202       666.0814 9962.195       602.1005 497.6910 22.88129 577.4893 17.79891 -79.79822      28.98887 
1 1 1 -28 4  6  o 172.5298 26.04812 924.2658       255.3645 568.4961       368.4081 1253.282       354.2857 132.3721 42.15072 199.2241 31.35751 -66.85201      52.53548 
1 1 1 -28 4  7  o 71.20195 31.19702 -32.61233      248.8679 -107.2845      356.7863 38.14587       347.3098 80.95644 36.30103 88.09779 37.72189 -7.141342      52.35175 
1 1 1 -28 4  8  o 182.2787 23.27360 1020.411       243.1322 1153.729       344.6437 888.3278       343.0436 190.4708 31.98519 164.8217 36.45615 25.64903       48.49848 
1 1 1 -28 4  9  o 189.2067 20.43708 1088.388       223.1862 1406.218       297.0480 676.3745       338.2085 213.9660 24.08995 142.7284 39.20639 71.23763       46.01594 
1 1 1 -28 4  10 o 139.2848 26.66820 612.4553       209.9142 501.3128       275.1580 767.2008       324.6767 123.9298 35.83577 152.4393 36.74899 -28.50957      51.32924 
1 1 1 -28 4  11 o 154.4749 23.60419 740.5801       207.0681 195.6363       278.9665 1409.218       309.0095 92.20698 35.88603 213.4175 25.17203 -121.2105      43.83422 
1 1 1 -28 4  12 o 177.5939 20.21370 962.4559       206.7924 980.9506       278.1151 939.5878       309.2545 176.3876 27.80449 170.6797 32.07189 5.707916       42.44639 
1 1 1 -28 4  13 o 144.2591 23.96418 650.3668       195.6372 519.5745       257.9342 827.5295       300.1953 125.6834 34.12294 159.2533 33.21802 -33.56992      47.62154 
1 1 1 -28 4  14 o 235.0782 15.28776 1655.669       209.6257 1635.858       284.6780 1679.135       309.8271 231.4180 21.21087 233.7244 22.89636 -2.306396      31.21129 
1 1 1 -28 4  15 f 198.1420 17.12925 1185.902       197.0987 1240.654       272.0063 1125.372       285.9991 200.1490 23.62751 189.2337 26.49514 10.91531       35.50002 
1 1 1 -28 4  16 o 136.6426 23.74531 586.7623       183.3868 492.2460       253.7643 690.0806       265.3175 121.8740 34.14581 145.0312 32.04755 -23.15724      46.82928 
1 1 1 -28 4  17 o 185.9975 17.38001 1048.717       187.3915 1144.179       260.6543 946.5939       269.5951 191.7886 23.67559 172.4588 27.58395 19.32980       36.35118 
1 1 1 -28 4  18 o 339.7181 11.79885 3430.373       234.7195 3386.715       323.1358 3479.138       341.5131 335.4142 16.47724 339.5760 17.20431 -4.161865      23.82200 
1 1 1 -28 4  19 o 277.3836 12.74676 2296.107       206.8087 1949.327       273.5362 2758.843       315.9763 253.0539 18.56020 301.6028 17.94470 -48.54889      25.81653 
1 1 1 -28 4  20 o 174.1900 17.39421 925.8577       175.3228 816.2407       233.3887 1067.834       265.6128 159.8093 25.77856 183.4188 25.37052 -23.60947      36.16901 
1 1 1 -28 4  21 o 88.61500 27.49675 252.6706       157.7669 479.7789       213.0619 -23.00914      234.7425 119.6398 30.32940 68.03140 30.03496 51.60837       42.68456 
1 1 1 -28 4  22 o 140.8102 19.42560 618.9524       156.1508 724.1179       210.3245 489.7924       233.0866 149.8491 24.79900 119.2846 32.45950 30.56449       40.84861 
1 1 1 -28 4  23 o 65.74221 25.48412 102.7975       140.2490 224.2228       186.8990 -53.70172      212.1820 84.78381 30.03898 61.94551 27.86747 22.83830       40.97483 
1 1 1 -28 4  24 o 52.85246 23.14397 -8.556067      136.7938 89.77473       185.1603 -126.7196      202.9760 69.27003 28.44565 55.71742 25.87223 13.55261       38.45162 
1 1 1 -28 4  25 o 59.66701 24.23524 66.13985       132.6107 164.9363       177.0095 -60.24588      200.2050 75.96671 28.83507 58.99929 26.75500 16.96742       39.33562 
1 1 1 -28 4  26 o 79.54279 25.42293 210.0122       133.9215 400.1434       185.0419 0.8810353      194.0675 106.6738 28.87668 62.06858 27.35965 44.60525       39.77956 
1 1 1 -28 4  27 o 90.31455 24.00846 276.6099       129.3404 264.7447       178.6306 289.6859       187.5233 87.54576 29.44034 90.85230 30.15679 -3.306541      42.14458 
1 1 1 -28 4  28 o 124.1400 18.79099 494.5085       132.5337 509.4859       181.0738 477.2261       194.5084 121.4161 26.19879 115.6182 28.79485 5.797897       38.92968 
1 1 1 -28 4  29 o 88.87128 24.07389 272.3053       128.5559 156.1606       174.4918 410.1913       190.1233 73.02509 28.39258 105.8482 29.51914 -32.82315      40.95752 
1 1 1 -28 4  30 o 117.2253 19.46976 450.3604       129.1607 607.4667       179.5879 282.0215       185.8970 133.2773 23.85156 87.79992 30.02802 45.47742       38.34813 
1 1 1 -28 4  31 o 55.73743 22.97672 59.24241       121.4158 23.91168       170.3037 95.76282       173.1473 58.91131 25.80966 65.63737 27.28261 -6.726055      37.55635 
1 1 1 -28 4  32 o 84.21183 24.82736 253.3116       130.9520 344.1949       187.8217 167.3419       182.6738 94.63389 30.09200 73.12788 28.86639 21.50600       41.69889 
1 1 1 -28 4  33 o 123.3529 19.45886 506.0905       136.1113 554.6087       184.3994 448.0126       201.7494 123.5424 26.26019 106.5908 30.64376 16.95166       40.35638 
1 1 1 -28 4  34 o 40.37924 19.38151 -146.2448      132.8641 -155.2266      185.3289 -136.7469      190.5773 48.71325 23.24862 50.38389 23.91184 -1.670647      33.35078 
1 1 1 -28 4  35 f 45.14953 21.09394 -80.38187      138.2433 -138.1887      191.8693 -17.97540      199.3567 50.18955 23.86926 57.84760 26.41301 -7.658043      35.60040 
1 1 1 -28 4  36 o 56.11121 23.89192 56.18117       137.9403 98.92244       184.1248 1.505983       208.2494 64.61832 27.56159 59.69245 27.15488 4.925873       38.69146 
1 1 1 -28 4  37 o 160.6340 19.34381 872.2374       178.5707 1023.385       203.5603 367.5188       371.9784 172.7529 20.49033 87.51417 38.24720 85.23870       43.39012 
1 1 1 -28 4  38 o 124.7946 21.51399 547.1788       151.7741 401.9264       200.1207 743.8498       232.8629 96.83121 31.09068 135.7291 30.04785 -38.89790      43.23776 
1 1 1 -28 5  1  o 98.21183 37.00621 243.1390       290.3025 398.1331       381.0977 28.86367       448.0896 117.6589 42.74626 98.06657 42.42580 19.59235       60.22617 
1 1 1 -28 5  2  o 258.6162 20.39985 2017.858       306.9054 2309.403       401.6372 1608.736       475.7816 274.8209 25.19940 223.2630 37.67578 51.55791       45.32631 
1 1 1 -28 5  3  o 241.9001 18.38363 1757.640       258.8532 1227.362       375.3119 2238.741       357.4858 196.1399 33.84981 271.5923 22.64952 -75.45239      40.72850 
1 1 1 -28 5  4  o 386.6520 14.15438 4439.063       320.4261 4645.844       491.5441 4286.260       422.5446 392.4511 21.43773 377.9969 19.12260 14.45419       28.72717 
1 1 1 -28 5  5  o 235.7064 25.62021 1707.487       348.4730 0.000000       0.000000 1707.487       348.4730 ?        ?        235.7064 25.62021 0.000000       25.62021 
1 1 1 -28 5  6  o 131.7149 31.98873 558.8965       244.6130 373.5712       350.4462 734.9771       341.5937 113.6330 41.03190 149.1913 38.71154 -35.55827      56.41100 
1 1 1 -28 5  7  o 109.1787 33.15224 377.8204       230.8931 468.0477       322.2904 282.6817       330.9460 121.3319 39.49753 104.4244 39.47539 16.90749       55.84229 
1 1 1 -28 5  8  o 56.96508 26.74593 -215.4886      226.9172 -192.4690      307.0103 -243.2062      336.8848 70.18144 32.31531 71.83802 33.34870 -1.656578      46.43721 
1 1 1 -28 5  9  o 164.6975 24.36701 841.0189       228.2703 987.4663       320.2700 689.8069       325.4381 175.4728 32.31141 144.2446 37.96119 31.22818       49.85056 
1 1 1 -28 5  10 o 213.5981 17.74934 1374.597       220.3393 1342.448       287.8675 1420.077       342.3904 208.8241 23.93725 213.0188 28.09041 -4.194794      36.90614 
1 1 1 -28 5  11 o 182.4457 19.77572 1013.073       208.2209 1014.820       276.1486 1010.770       316.9972 179.8747 27.01075 177.4837 31.61333 2.391006       41.58104 
1 1 1 -28 5  12 o 311.4431 12.87955 2882.698       234.7424 3032.337       318.0741 2703.703       347.8760 317.8315 17.12726 298.8191 19.96477 19.01236       26.30466 
1 1 1 -28 5  13 o 116.8701 28.32222 439.9013       192.0700 426.9388       247.6833 459.4546       304.2021 114.5243 34.24026 118.8389 38.34858 -4.314659      51.41020 
1 1 1 -28 5  14 o 264.2954 14.03412 2084.860       216.7533 2172.950       294.9014 1981.354       319.6647 267.9622 18.88615 254.5973 21.61276 13.36493       28.70188 
1 1 1 -28 5  15 o 184.2617 17.70618 1029.060       188.9896 1249.149       260.3953 784.0839       274.7232 201.3081 22.43663 155.3120 31.24409 45.99612       38.46551 
1 1 1 -28 5  16 o 69.49224 27.85529 86.30000       172.6501 173.5768       233.1759 -19.61377      256.8683 85.20186 32.90491 72.29873 31.68556 12.90313       45.68050 
1 1 1 -28 5  17 o 251.6534 16.72272 1909.456       245.4083 2069.999       276.6564 1316.776       531.5646 261.4306 18.15686 190.7807 47.65220 70.64983       50.99415 
1 1 1 -28 5  18 o 448.3883 11.25317 5967.518       295.6899 6084.719       416.4208 5848.328       419.9387 450.1548 15.79770 441.0042 16.26437 9.150604       22.67371 
1 1 1 -28 5  19 o 364.0587 12.28918 3948.550       262.0125 3932.471       388.7482 3961.933       354.6746 359.7787 18.48592 362.2589 16.73926 -2.480133      24.93856 
1 1 1 -28 5  20 o 119.5148 24.97040 460.6518       169.3736 588.1840       225.7619 296.4508       256.1703 133.3259 29.64017 98.02145 35.12058 35.30447       45.95645 
1 1 1 -28 5  21 o 59.62466 25.49240 16.74122       158.1906 0.3571584      207.1146 39.68186       245.0771 65.74295 28.63923 73.66464 31.61738 -7.921692      42.65986 
1 1 1 -28 5  22 o 59.63099 24.95849 39.34903       146.3864 69.71458       189.8196 -5.212115      229.9474 68.76475 28.57283 68.02550 29.89083 0.7392502      41.35056 
1 1 1 -28 5  23 o 88.50877 25.95145 259.2303       143.4109 227.9677       185.4015 305.7985       226.2795 85.04395 29.93742 95.77190 33.11530 -10.72794      44.64159 
1 1 1 -28 5  24 o 273.7953 11.19658 2246.964       179.4091 2247.755       248.2456 2246.100       259.5794 271.0438 15.68377 270.3867 16.44725 0.6570435      22.72648 
1 1 1 -28 5  25 o 81.82835 25.13243 222.6700       132.2020 328.4771       183.0101 107.2038       191.1812 97.11417 29.52054 71.07113 29.01225 26.04305       41.39050 
1 1 1 -28 5  26 o 90.28083 24.63675 276.1917       134.0547 310.2161       178.8082 232.5228       202.5716 94.12219 29.28389 84.59500 31.09691 9.527191       42.71492 
1 1 1 -28 5  27 o 73.38857 25.28093 173.1231       131.8327 160.3008       175.7864 189.6048       199.2984 74.43800 28.61666 79.22173 30.46661 -4.783737      41.79866 
1 1 1 -28 5  28 o 59.73740 23.92606 79.07676       127.2728 103.1149       171.8132 49.84727       189.4597 67.54064 27.52895 64.61147 27.76650 2.929169       39.10015 
1 1 1 -28 5  29 o 234.4214 11.39294 1664.921       156.1640 1484.592       215.7883 1863.218       226.2839 217.0278 17.09144 244.3990 15.87302 -27.37117      23.32531 
1 1 1 -28 5  30 o 38.59842 18.58486 -157.3044      124.3908 -62.09482      169.4342 -268.6150      183.2015 52.63609 24.15206 44.25953 21.59763 8.376556       32.40030 
1 1 1 -28 5  31 o 49.58385 22.09022 -14.13553      129.8705 -66.58990      178.6720 44.62069       189.1005 53.51281 24.64462 62.79699 27.36052 -9.284184      36.82330 
1 1 1 -28 5  32 o 71.13998 25.25726 170.7643       132.1920 204.6687       185.3711 135.6815       188.5651 77.24082 29.46314 70.23453 28.75860 7.006294       41.17200 
1 1 1 -28 5  33 f 82.13863 25.46191 245.4921       135.3184 255.2446       190.4082 235.5403       192.3449 82.40093 30.17216 80.14581 30.13892 2.255127       42.64638 
1 1 1 -28 5  34 o 51.37298 22.52201 14.05801       129.8729 -67.47466      178.4828 105.8052       189.3332 52.44135 24.32001 66.42595 28.12547 -13.98460      37.18205 
1 1 1 -28 5  35 o 171.9941 14.37082 935.0404       143.6354 986.6596       200.7657 880.9147       205.5822 170.6727 20.46504 158.8393 22.71470 11.83339       30.57410 
1 1 1 -28 5  36 o 121.0461 20.91892 506.1524       143.1352 546.3870       199.3189 463.3094       205.6783 117.6419 29.06157 105.4766 31.11971 12.16530       42.57947 
1 1 1 -28 5  37 o 57.52416 24.38277 68.87613       142.5544 102.1129       193.6149 29.52682       210.6677 65.02728 28.00868 61.16898 27.62047 3.858307       39.33671 
1 1 1 -28 5  38 o 147.4646 17.54548 721.4992       148.7693 729.8904       198.9974 710.8672       223.9977 140.4560 25.07797 133.2561 29.44719 7.199921       38.67870 
1 1 1 -28 6  1  o 168.7900 37.63197 931.8456       363.0178 931.8456       363.0178 0.000000       0.000000 168.7900 37.63197 ?        ?        0.000000       37.63197 
1 1 1 -28 6  2  o 183.7729 28.33968 1055.669       295.6331 934.6340       357.5641 1317.165       525.5702 169.2573 37.05120 197.0010 46.28070 -27.74373      59.28486 
1 1 1 -28 6  3  o 625.3199 17.64518 11678.49       646.4642 11019.11       852.6876 12569.82       991.3856 602.6145 24.17587 641.6204 26.40236 -39.00586      35.79885 
1 1 1 -28 6  4  o 363.6456 14.10904 3927.908       300.3318 3552.736       449.5359 4230.369       403.6297 342.4334 22.50881 375.7593 18.37136 -33.32587      29.05431 
1 1 1 -28 6  5  o 125.3198 32.08285 506.1599       236.7814 208.4625       344.4496 772.8669       326.0283 99.57967 39.53349 153.5957 36.69649 -54.01602      53.94005 
1 1 1 -28 6  6  o 179.1094 25.93028 995.9465       264.4655 766.7150       322.3980 1467.524       462.4148 152.9492 36.45889 211.9431 38.62424 -58.99391      53.11386 
1 1 1 -28 6  7  o 127.4230 29.86180 520.5300       219.2410 449.1775       301.0037 601.1586       319.9720 118.7242 38.13128 135.0644 38.51587 -16.34028      54.19840 
1 1 1 -28 6  8  o 216.8462 19.42510 1422.275       244.4249 1674.282       335.0773 1135.679       357.3330 233.2487 24.87846 187.8697 33.66809 45.37897       41.86261 
1 1 1 -28 6  9  o 77.76322 31.32574 103.7069       219.5054 -179.9960      300.5667 427.9553       321.3274 69.73799 32.06127 116.7621 39.48585 -47.02409      50.86312 
1 1 1 -28 6  10 o 139.7921 27.51982 620.6400       217.5853 357.6918       294.1435 938.3991       323.3502 108.5320 37.74365 170.0297 33.61808 -61.49778      50.54462 
1 1 1 -28 6  11 o 73.78393 29.58416 96.15411       194.8056 -49.93581      249.1847 325.7785       312.4067 69.67564 30.84429 106.2229 38.68613 -36.54729      49.47713 
1 1 1 -28 6  12 o 273.5871 13.63771 2229.834       218.1304 2280.570       289.6144 2163.324       331.5960 275.0872 18.05118 266.4417 21.40038 8.645477       27.99681 
1 1 1 -28 6  13 o 118.6792 27.30829 451.9124       186.1206 622.0925       244.1319 215.7222       287.6081 138.3771 30.86773 94.24671 36.50474 44.13036       47.80599 
1 1 1 -28 6  14 o 191.9971 17.48047 1115.162       194.6772 1196.134       259.6280 1011.163       294.2393 196.8105 22.92178 178.0025 29.19675 18.80804       37.11951 
1 1 1 -28 6  15 o 86.57961 29.34265 224.6185       177.4500 354.1297       229.4550 31.90096       279.9010 105.0629 33.24250 78.77859 33.80030 26.28431       47.40807 
1 1 1 -28 6  16 o 168.5226 18.80398 867.0336       182.6852 659.5958       234.8022 1185.213       290.8000 142.8443 29.01892 194.0877 26.21716 -51.24339      39.10802 
1 1 1 -28 6  17 o 276.8631 12.82652 2284.954       207.7029 2062.291       274.3303 2584.046       317.9446 260.9164 18.03863 291.8665 18.67241 -30.95020      25.96250 
1 1 1 -28 6  18 o 291.6863 12.34364 2534.943       210.6818 2552.563       280.9346 2512.297       318.4836 290.8894 16.53557 287.2984 19.00869 3.591003       25.19435 
1 1 1 -28 6  19 o 253.1360 13.62046 1919.434       201.4622 1947.173       268.1481 1883.483       305.2690 252.8980 18.20092 247.0593 21.27540 5.838715       27.99850 
1 1 1 -28 6  20 o 125.4851 24.31191 505.3284       172.4581 674.3691       224.9229 264.1806       268.6454 143.8244 27.66997 95.28497 35.66318 48.53947       45.13856 
1 1 1 -28 6  21 o 63.05051 26.08903 54.29816       157.3302 178.0609       206.3449 -117.5618      243.1566 81.64535 31.09924 63.15573 28.96200 18.48962       42.49659 
1 1 1 -28 6  22 o 113.1910 23.23244 415.4717       149.0538 686.2450       197.4641 56.85668       227.2477 145.9267 23.89952 72.11341 30.68435 73.81330       38.89365 
1 1 1 -28 6  23 o 92.91184 25.23186 287.1686       141.0099 314.3102       185.1660 249.6979       217.5655 96.20200 29.77856 88.89220 32.29754 7.309792       43.93056 
1 1 1 -28 6  24 o 147.2970 16.88275 674.1012       143.2111 815.4152       196.1174 512.6614       209.6181 159.5560 21.50516 121.3883 29.69323 38.16770       36.66278 
1 1 1 -28 6  25 o 220.5824 12.16770 1469.410       156.7993 1650.834       213.4915 1256.931       231.0423 231.5753 15.81437 199.0670 20.06325 32.50830       25.54659 
1 1 1 -28 6  26 o 118.8832 20.26600 457.1870       136.2362 421.0984       186.6484 498.3372       199.3083 109.2569 28.74642 118.9703 28.86327 -9.713470      40.73628 
1 1 1 -28 6  27 o 138.3832 17.59467 605.2093       139.5715 355.2673       193.6457 875.4282       201.3475 99.24892 30.40499 164.1351 21.42788 -64.88621      37.19701 
1 1 1 -28 6  28 o 330.9636 10.36122 3292.330       200.8659 3351.876       287.9284 3235.874       280.3574 329.6623 14.93116 324.0464 14.79112 5.615967       21.01706 
1 1 1 -28 6  29 o 58.07952 23.69927 68.42036       127.5079 62.48958       169.5474 76.14169       193.4555 62.76635 26.59740 66.63592 28.33088 -3.869568      38.85950 
1 1 1 -28 6  30 o 145.6750 16.47646 673.2721       138.2985 627.0601       189.5916 725.8256       202.1821 134.3239 24.98599 145.0120 24.65491 -10.68813      35.10220 
1 1 1 -28 6  31 o 178.1012 14.14741 986.9249       146.5593 948.0544       208.1216 1025.163       206.4211 168.4212 21.56436 176.3614 20.32874 -7.940247      29.63577 
1 1 1 -28 6  32 o 76.58791 24.38559 206.4717       123.3084 259.7357       170.8957 148.6249       178.0959 83.73692 28.78613 70.72820 28.31144 13.00873       40.37547 
1 1 1 -28 6  33 o 137.5921 17.14436 613.3394       135.3526 681.2282       183.1604 531.6612       200.9026 140.0534 23.10403 117.7113 29.23439 22.34213       37.26185 
1 1 1 -28 6  34 o 80.60665 25.62549 239.9028       136.2101 41.07149       188.6750 456.3267       196.8450 60.97913 26.92401 107.0261 30.10486 -46.04692      40.38818 
1 1 1 -28 6  35 o 51.53391 22.91077 3.610219       138.9489 -41.80678      189.1710 56.82111       204.7603 55.07253 25.36127 63.34455 28.00469 -8.272018      37.78170 
1 1 1 -28 6  36 o 198.8047 14.03284 1248.420       162.5636 1284.748       227.5131 1210.527       232.3630 194.4575 20.24556 187.0462 21.57704 7.411346       29.58803 
1 1 1 -28 6  37 o 144.5954 18.51703 700.9619       153.4285 500.2538       203.4787 965.4559       233.5847 109.7461 30.51315 161.6615 25.47966 -51.91541      39.75255 
1 1 1 -28 6  38 o 83.86484 27.05209 277.8921       151.3885 168.1812       204.9617 409.5995       224.5706 70.87897 29.58982 95.18934 32.98618 -24.31037      44.31305 
1 1 1 -28 7  1  o 110.9259 40.82832 343.0448       349.3775 343.0448       349.3775 0.000000       0.000000 110.9259 40.82832 ?        ?        0.000000       40.82832 
1 1 1 -28 7  2  o 354.9861 17.28181 3767.989       358.7104 3521.600       440.1779 4255.112       618.9235 341.0544 22.12607 371.2015 28.65158 -30.14709      36.20050 
1 1 1 -28 7  3  o 439.1149 13.50686 5720.137       347.4292 4977.004       515.8051 6337.287       470.0539 405.8375 21.75065 460.4699 17.43738 -54.63239      27.87747 
1 1 1 -28 7  4  o 295.1509 15.45735 2597.574       266.6326 1809.424       375.8928 3395.721       378.2692 241.9408 26.94822 336.0877 19.27181 -94.14684      33.13019 
1 1 1 -28 7  5  o 378.7495 13.53919 4258.482       300.2590 3484.868       418.8615 5076.233       430.6443 339.5636 21.13770 411.7318 17.87681 -72.16815      27.68361 
1 1 1 -28 7  6  f 245.1377 17.14772 1802.510       244.9738 1534.007       329.4448 2134.596       366.3821 222.9265 25.66612 264.1988 23.90411 -41.27226      35.07358 
1 1 1 -28 7  7  o 70.33739 29.86591 25.26267       214.5103 -286.3342      278.8905 476.6370       335.6646 61.80640 29.21235 122.1332 40.33979 -60.32682      49.80622 
1 1 1 -28 7  8  o 187.6572 21.38521 1076.013       231.1631 1355.942       315.3160 750.7433       339.8938 208.9201 26.31715 150.1058 38.44447 58.81425       46.58937 
1 1 1 -28 7  9  o 102.0325 32.74657 325.4096       222.0224 290.5853       296.5525 369.8250       334.9089 102.1803 37.61430 111.6446 40.13803 -9.464310      55.00815 
1 1 1 -28 7  10 o 87.69016 31.49285 213.8863       206.1148 184.0788       278.7369 249.8500       306.1715 91.04343 35.74310 99.03826 37.84383 -7.994835      52.05501 
1 1 1 -28 7  11 o 84.03739 31.44554 180.0302       208.8342 263.9842       278.4597 72.11443       315.7069 98.18316 36.39400 86.05151 36.37128 12.13165       51.45283 
1 1 1 -28 7  12 o 183.2606 18.30889 1018.550       194.1490 1005.681       250.3397 1037.972       307.5406 179.8597 24.35808 180.1908 30.16722 -0.3310699     38.77341 
1 1 1 -28 7  13 o 71.26931 28.42188 93.88751       178.8140 47.73738       232.9721 160.0545       278.9575 74.24011 31.30451 88.61914 35.44629 -14.37903      47.29072 
1 1 1 -28 7  14 o 306.3793 12.41228 2790.706       222.5673 2759.864       296.5885 2830.461       336.7353 302.9861 16.75620 305.8507 18.86458 -2.864594      25.23178 
1 1 1 -28 7  15 o 52.40656 24.01648 -101.7389      166.8260 -189.4383      208.9159 52.59327       277.1414 54.82204 25.71540 79.83564 33.92488 -25.01360      42.56970 
1 1 1 -28 7  16 o 372.3323 11.51461 4115.130       251.1354 3676.438       336.1803 4669.061       377.7638 349.6999 16.43779 394.2122 16.37519 -44.51239      23.20232 
1 1 1 -28 7  17 o 165.2325 18.83426 835.8237       179.2584 532.8631       233.3561 1271.959       279.9863 126.8780 31.50511 201.8126 24.13371 -74.93455      39.68636 
1 1 1 -28 7  18 o 472.3311 14.28724 6677.381       395.3174 7107.250       772.1916 6524.706       460.1958 474.0910 27.89564 465.0181 16.90228 9.072876       32.61677 
1 1 1 -28 7  19 o 185.7394 16.76174 1048.950       180.6259 907.7694       232.1741 1265.413       287.4865 169.5445 24.02144 200.0380 25.05290 -30.49350      34.70846 
1 1 1 -28 7  20 o 121.4528 23.52922 472.6129       161.5425 378.5672       207.5975 616.9725       257.2026 106.3593 31.23389 134.6540 32.86271 -28.29475      45.33777 
1 1 1 -28 7  21 o 93.98835 26.25080 290.7740       150.2327 371.1001       196.4791 177.7061       233.1082 104.8822 30.26807 83.59554 32.72613 21.28671       44.57752 
1 1 1 -28 7  22 o 82.65287 26.13110 221.2407       141.8087 281.9861       184.5226 133.6030       221.6350 92.19439 29.87682 77.81819 31.43136 14.37620       43.36536 
1 1 1 -28 7  23 o 151.8179 16.71317 712.9925       146.3513 659.8237       187.5051 795.8784       234.1125 142.6740 23.20547 154.6845 26.77547 -12.01050      35.43190 
1 1 1 -28 7  24 o 249.0705 11.56722 1865.084       168.5055 1998.002       230.1772 1711.588       247.3543 255.3885 15.43987 234.4176 18.13285 20.97095       23.81575 
1 1 1 -28 7  25 o 403.5343 10.40713 4874.795       246.0930 5249.600       352.8419 4519.769       343.4061 414.7812 14.52719 384.0436 15.27722 30.73758       21.08157 
1 1 1 -28 7  26 o 43.14072 20.36933 -125.5521      134.9577 -81.14881      178.3259 -185.0775      206.4705 53.80262 24.72061 52.46299 24.89578 1.339634       35.08430 
1 1 1 -28 7  27 o 246.6803 11.70289 1839.965       168.8254 1799.161       228.2262 1889.276       250.8903 240.5760 16.27141 245.4322 17.54592 -4.856171      23.92944 
1 1 1 -28 7  28 o 67.20231 25.18417 132.5955       134.0536 165.8692       182.7925 93.87545       197.1856 74.82690 29.06931 68.96263 28.92258 5.864265       41.00659 
1 1 1 -28 7  29 o 97.10654 23.84864 326.3985       134.8140 333.5610       184.5817 318.2090       197.3718 94.92461 29.78603 92.48129 30.94444 2.443321       42.95074 
1 1 1 -28 7  30 o 114.0440 19.94227 430.1932       128.5279 433.1624       170.8066 426.3174       195.1476 109.6505 26.79263 106.2489 30.00574 3.401566       40.22673 
1 1 1 -28 7  31 o 48.58986 21.57638 -10.23954      122.8682 -59.54535      164.7747 51.51109       184.4006 51.72972 23.76620 62.61272 27.15159 -10.88300      36.08381 
1 1 1 -28 7  32 o 107.9094 21.71489 399.0088       132.6619 305.7535       177.2935 517.6470       199.9716 89.52006 29.30491 116.6734 29.27578 -27.15334      41.42281 
1 1 1 -28 7  33 f 140.5260 17.36634 641.8039       140.0826 818.2851       191.6964 439.5708       205.2064 154.9033 21.69502 104.5378 31.14512 50.36551       37.95645 
1 1 1 -28 7  34 o 103.5582 23.25785 382.3919       137.7923 301.9381       181.9300 490.6385       211.0271 87.32349 29.70930 109.6383 31.28351 -22.31477      43.14279 
1 1 1 -28 7  35 o 80.35944 25.64824 241.1764       136.3426 407.2352       180.7013 21.68015       207.7514 101.3733 28.95614 61.13160 27.53178 40.24166       39.95569 
1 1 1 -28 7  36 o 49.17371 22.35823 -25.35314      140.9494 69.69347       183.5811 -161.8349      219.9870 61.82440 26.94719 52.25859 25.04533 9.565807       36.78885 
1 1 1 -28 7  37 o 86.29009 27.09781 293.0360       152.7382 274.2770       202.6631 317.7003       232.3829 81.56335 30.87812 85.36317 32.88016 -3.799820      45.10613 
1 1 1 -28 7  38 o 83.09539 27.38795 275.3618       154.7513 141.6073       211.6840 428.9007       226.8000 68.78818 29.45162 96.93112 33.16701 -28.14294      44.35593 
1 1 1 -28 8  1  o 275.2792 25.01967 2322.956       399.5211 0.000000       0.000000 2322.956       399.5211 ?        ?        275.2792 25.01967 0.000000       25.01967 
1 1 1 -28 8  2  o 271.6688 20.28303 2229.672       320.8316 2060.201       381.6875 2637.697       592.2493 258.9039 25.46657 287.1490 35.95383 -28.24512      44.05933 
1 1 1 -28 8  3  o 716.0140 19.50554 15395.25       818.3237 0.000000       0.000000 15395.25       818.3237 ?        ?        716.0140 19.50554 0.000000       19.50554 
1 1 1 -28 8  4  o 542.2408 27.21758 9038.672       862.7828 0.000000       0.000000 9038.672       862.7828 ?        ?        542.2408 27.21758 0.000000       27.21758 
1 1 1 -28 8  5  f 319.4011 14.21754 3035.608       265.6571 3068.400       384.4589 3005.645       367.5059 318.5679 20.68964 315.6109 19.95682 2.957001       28.74606 
1 1 1 -28 8  6  o 460.6146 13.32493 6298.093       359.5809 6240.940       540.1012 6343.593       481.9081 454.8903 20.29611 460.0403 17.89563 -5.150024      27.05893 
1 1 1 -28 8  7  o 448.1253 13.26126 5962.367       348.1423 6192.740       529.9925 5787.516       461.7310 453.1782 19.99034 439.2419 17.96188 13.93631       26.87458 
1 1 1 -28 8  8  o 72.50461 29.94125 65.13875       206.6618 373.0756       274.4071 -338.4095      314.1320 109.3318 36.48515 64.58504 30.66551 44.74679       47.66067 
1 1 1 -28 8  9  o 96.77537 31.65763 288.5314       206.9206 500.9029       275.5372 13.85909       313.3572 123.5159 35.90318 82.08025 35.49419 41.43565       50.48639 
1 1 1 -28 8  10 o 317.8406 19.58632 3054.270       363.3275 0.000000       0.000000 3054.270       363.3275 ?        ?        317.8406 19.58632 0.000000       19.58632 
1 1 1 -28 8  11 o 214.1944 17.59330 1384.649       219.0607 1604.123       306.1767 1154.474       313.5522 228.3710 23.18106 190.8727 28.91463 37.49831       37.05965 
1 1 1 -28 8  12 o 329.0414 12.63363 3218.026       243.3446 3464.453       331.6187 2930.512       358.1986 339.7459 16.69422 310.9682 19.74265 28.77777       25.85477 
1 1 1 -28 8  13 o 277.1229 12.80682 2285.717       207.5813 2135.687       270.3759 2501.115       323.9669 266.1852 17.41507 287.2567 19.34280 -21.07150      26.02745 
1 1 1 -28 8  14 o 242.7567 14.39039 1762.947       203.9583 2058.522       274.2839 1397.361       305.0430 260.9567 18.03268 211.7280 25.05053 49.22867       30.86595 
1 1 1 -28 8  15 o 138.4477 22.86218 600.0350       179.1589 693.1103       227.2637 447.2273       291.1960 147.2196 27.32755 116.5275 37.51239 30.69205       46.41093 
1 1 1 -28 8  16 f 183.1153 17.44239 1017.968       185.0587 654.0511       229.5278 1693.970       312.8298 142.2183 28.51235 233.9260 23.10367 -91.70778      36.69786 
1 1 1 -28 8  17 o 374.7534 11.61289 4174.328       254.9247 3865.677       336.0476 4592.719       391.2527 358.4425 16.02620 390.0501 17.14545 -31.60760      23.46924 
1 1 1 -28 8  18 f 372.1932 11.32801 4118.323       246.9827 3980.137       327.8899 4299.557       375.5046 363.7911 15.40314 377.0984 17.02281 -13.30734      22.95720 
1 1 1 -28 8  19 o 85.39608 28.21104 227.9370       164.1610 318.4516       209.6021 84.31744       264.0238 98.82299 31.82702 79.49007 33.41064 19.33292       46.14359 
1 1 1 -28 8  20 o 268.3859 12.37809 2155.225       194.3090 2250.391       259.0990 2032.912       293.7378 272.2905 16.29954 256.7859 19.65402 15.50464       25.53342 
1 1 1 -28 8  21 o 41.09901 19.75694 -187.4766      139.2602 -236.0995      175.6027 -105.0707      228.6071 45.82519 22.06883 61.42709 28.13675 -15.60190      35.75906 
1 1 1 -28 8  22 o 116.5163 21.54044 436.3044       141.7741 391.6256       180.5325 508.1930       228.9995 107.3869 28.27970 120.6111 31.89205 -13.22429      42.62445 
1 1 1 -28 8  23 o 161.0748 15.35907 796.5933       143.3373 758.4027       183.1261 856.9991       230.3094 154.3593 20.75404 161.4355 25.14415 -7.076141      32.60304 
1 1 1 -28 8  24 o 332.5319 10.70137 3312.129       208.4286 3537.855       289.7080 3069.934       300.0913 340.6961 14.53254 315.8249 16.25625 24.87119       21.80505 
1 1 1 -28 8  25 o 266.8970 11.35872 2144.179       177.3902 2265.599       238.4950 1993.829       265.3899 271.7694 15.02176 252.4556 18.04354 19.31383       23.47814 
1 1 1 -28 8  26 o 150.0976 16.88938 706.2309       146.0976 773.0301       198.3475 627.0078       216.0067 153.3287 22.74584 133.8762 28.39284 19.45255       36.38030 
1 1 1 -28 8  27 o 47.47507 21.60986 -52.84971      132.1298 -320.9750      180.2816 258.3213       194.2147 42.24453 20.78004 86.41074 30.62068 -44.16621      37.00589 
1 1 1 -28 8  28 o 161.8221 15.26156 815.8644       143.1290 671.5591       195.6308 982.0799       209.9577 140.3484 24.66713 173.2819 21.09400 -32.93344      32.45650 
1 1 1 -28 8  29 o 172.6373 14.14907 924.0120       142.0002 1027.767       208.1405 833.6726       194.2188 177.1875 20.40159 158.5984 21.42827 18.58916       29.58708 
1 1 1 -28 8  30 o 142.1691 16.05685 640.1990       131.5402 483.8513       181.0759 814.8934       191.4055 115.6623 27.16074 156.3567 21.43690 -40.69437      34.60125 
1 1 1 -28 8  31 f 165.7276 13.93055 855.3125       134.1463 860.3898       183.3197 849.4597       196.8222 161.6632 19.74436 158.9124 21.68366 2.750763       29.32611 
1 1 1 -28 8  32 o 78.76041 25.79012 223.6030       137.3108 382.1131       183.8714 23.75647       206.4591 99.38433 29.44996 62.30239 27.79815 37.08194       40.49737 
1 1 1 -28 8  33 o 97.98885 23.74836 343.5763       135.0352 324.4790       178.1797 369.3452       206.9764 91.12757 29.34417 95.18283 31.68499 -4.055260      43.18586 
1 1 1 -28 8  34 o 61.18744 24.20012 107.1730       128.6165 175.1496       166.1489 5.531512       203.1670 71.61367 27.74375 59.82333 27.05793 11.79034       38.75367 
1 1 1 -28 8  35 o 110.9034 22.30158 433.6238       140.0213 536.9235       189.0988 308.2376       208.3360 118.3804 27.72671 86.43941 31.57495 31.94102       42.02081 
1 1 1 -28 8  36 o 36.17185 17.90667 -265.7359      141.4570 -145.0937      182.1424 -449.0951      224.5498 48.00813 22.94924 43.11626 21.54123 4.891869       31.47527 
1 1 1 -28 8  37 o 54.53568 24.13607 24.65997       152.4902 41.57075       202.3550 2.436318       231.9742 61.07628 27.36623 61.30762 28.17848 -0.2313423     39.28024 
1 1 1 -28 8  38 o 69.13512 26.87439 171.1823       156.3039 185.4577       207.2084 152.3349       238.0892 72.09732 29.89611 70.63380 30.73883 1.463524       42.87952 
1 1 1 -28 9  1  o 226.5710 36.12042 1659.294       463.8600 0.000000       0.000000 1659.294       463.8600 ?        ?        226.5710 36.12042 0.000000       36.12042 
1 1 1 -28 9  2  o 558.5502 17.57427 9337.136       574.9755 0.000000       0.000000 9337.136       574.9755 ?        ?        558.5502 17.57427 0.000000       17.57427 
1 1 1 -28 9  3  o 389.8061 24.58447 4644.791       559.1680 0.000000       0.000000 4644.791       559.1680 ?        ?        389.8061 24.58447 0.000000       24.58447 
1 1 1 -28 9  4  o 432.6561 17.75726 5610.541       449.6197 0.000000       0.000000 5610.541       449.6197 ?        ?        432.6561 17.75726 0.000000       17.75726 
1 1 1 -28 9  5  o 191.2322 20.35379 1112.980       224.7709 552.6384       288.8542 1973.066       357.8685 129.6039 36.47255 253.4370 24.37737 -123.8331      43.86916 
1 1 1 -28 9  6  o 61.13015 27.42273 -74.54474      203.8478 -107.7598      258.7543 -20.20531      330.9618 67.61427 30.56326 82.18339 35.99330 -14.56911      47.21897 
1 1 1 -28 9  7  o 160.0955 23.54759 794.6335       214.4941 969.2511       276.7942 532.1550       339.3594 175.3951 27.83730 127.2366 40.44786 48.15850       49.10137 
1 1 1 -28 9  8  o 141.1517 26.52634 630.1715       211.5309 650.7719       275.5830 600.6282       330.0231 140.8668 33.79182 134.0965 39.38152 6.770340       51.89211 
1 1 1 -28 9  9  o 95.58255 31.77073 279.3078       208.1150 423.5007       272.2769 76.69010       322.7585 114.5507 36.20768 87.11772 36.79624 27.43294       51.62325 
1 1 1 -28 9  10 o 409.6284 17.75975 5043.665       425.6418 0.000000       0.000000 5043.665       425.6418 ?        ?        409.6284 17.75975 0.000000       17.75975 
1 1 1 -28 9  11 o 151.9329 22.26968 715.3447       192.5452 616.6158       250.4196 858.1204       301.1433 137.4064 31.71759 162.1910 32.78765 -24.78461      45.61837 
1 1 1 -28 9  12 f 94.36551 30.60227 276.9448       193.5722 385.0843       256.6684 134.3110       294.7755 109.4660 35.21635 88.02337 35.98976 21.44263       50.35329 
1 1 1 -28 9  13 f 185.1047 17.99081 1039.773       192.8467 1119.443       247.2565 916.0399       308.1371 190.3513 22.58820 167.4787 32.54428 22.87257       39.61511 
1 1 1 -28 9  14 o 299.9265 12.26939 2675.190       215.3626 2805.478       288.5309 2511.289       323.6173 305.6075 16.15561 287.6321 19.29584 17.97537       25.16611 
1 1 1 -28 9  15 o 152.1523 20.18193 713.6052       175.6537 731.2527       218.9752 681.7554       294.1755 151.9784 25.46780 142.3447 35.38924 9.633682       43.60054 
1 1 1 -28 9  16 o 204.0904 15.76972 1256.207       187.2913 1152.494       230.1729 1459.430       322.2008 193.5517 20.59291 215.2121 26.05762 -21.66035      33.21246 
1 1 1 -28 9  17 o 369.0430 11.41876 4048.461       246.8445 3881.999       317.8632 4301.370       391.8010 359.5479 15.10782 376.8183 17.77908 -17.27045      23.33114 
1 1 1 -28 9  18 o 185.9126 20.61992 1069.851       221.0496 1257.025       247.9786 345.7405       487.7469 201.3213 21.32658 113.5839 46.35008 87.73734       51.02110 
1 1 1 -28 9  19 o 85.37753 27.72889 230.5116       158.8944 257.5105       196.5026 179.5118       270.0715 90.52015 30.87475 87.46371 34.91302 3.056435       46.60654 
1 1 1 -28 9  20 o 50.48442 23.17055 -90.01855      156.0753 -8.820811      197.7808 -224.0459      254.1024 63.41305 27.79704 59.24087 27.96477 4.172176       39.42974 
1 1 1 -28 9  21 o 40.71981 19.56243 -180.6141      136.0434 -260.2350      166.5928 -21.22504      235.7068 42.98333 20.88925 67.37726 29.90360 -24.39393      36.47720 
1 1 1 -28 9  22 o 80.48790 25.53435 210.6676       135.3029 187.0119       166.5718 256.5465       231.9739 78.51842 28.29699 90.07603 33.24857 -11.55761      43.65990 
1 1 1 -28 9  23 o 93.73986 24.15129 293.5171       133.5945 284.5433       165.9691 310.0316       225.1487 91.42626 28.17414 95.02377 33.02309 -3.597504      43.40860 
1 1 1 -28 9  24 o 274.4470 11.02840 2261.583       177.1479 2315.420       240.0502 2197.204       262.5027 275.0442 14.93764 266.3665 16.89064 8.677704       22.54832 
1 1 1 -28 9  25 o 304.3279 10.83137 2782.087       193.0112 2714.706       257.3727 2868.681       291.7697 297.5727 14.79391 304.4078 16.40368 -6.835114      22.08937 
1 1 1 -28 9  26 f 48.82454 22.17911 -51.91188      138.3063 -105.6402      176.7215 33.01294       222.1802 51.88517 24.10924 67.41322 29.50847 -15.52805      38.10519 
1 1 1 -28 9  27 o 153.8366 16.74970 744.4940       148.6809 838.5731       203.2329 636.1622       218.0849 159.3882 22.35515 133.7943 28.65646 25.59386       36.34481 
1 1 1 -28 9  28 o 193.7563 13.37468 1153.450       151.0486 1073.182       212.4968 1235.430       214.7510 181.6327 20.29484 196.2399 18.89259 -14.60724      27.72743 
1 1 1 -28 9  29 o 69.14791 24.92557 153.6505       129.2528 104.0852       174.1042 214.5099       192.9232 66.76710 27.51784 79.60210 30.12896 -12.83501      40.80424 
1 1 1 -28 9  30 o 81.86056 25.00992 237.0926       131.1362 336.3590       172.6209 101.6259       201.6548 94.98177 28.62772 68.68191 29.05090 26.29986       40.78605 
1 1 1 -28 9  31 o 75.01472 25.11717 196.7225       130.0325 301.5675       169.0370 44.75001       203.5122 89.61675 28.55340 63.88010 28.09302 25.73665       40.05639 
1 1 1 -28 9  32 o 59.65363 24.07852 89.11261       129.9725 190.3097       168.6892 -58.72753      203.8917 74.36288 28.16697 56.63636 26.17000 17.72653       38.44798 
1 1 1 -28 9  33 o 248.9242 12.54468 1916.228       182.5471 1761.914       219.7102 2260.211       328.0326 234.8473 16.04841 257.2487 21.95224 -22.40144      27.19287 
1 1 1 -28 9  34 o 63.31139 25.12848 118.0463       139.1307 -12.98172      179.5086 315.1828       220.1845 55.80415 25.31729 87.28642 32.36108 -31.48226      41.08776 
1 1 1 -28 9  35 o 70.17284 25.80739 174.1611       139.5452 214.2685       178.7387 111.5537       223.3155 75.81876 28.92870 68.37561 29.76282 7.443153       41.50536 
1 1 1 -28 9  36 o 72.35545 25.73778 192.9328       137.3292 200.6738       177.0413 181.2390       217.5981 73.70157 28.61497 72.97762 30.47880 0.7239456      41.80639 
1 1 1 -28 9  37 o 48.79017 22.48015 -43.98232      148.9109 150.2123       190.0372 -352.8957      239.6837 68.75481 28.58068 47.50771 23.48029 21.24710       36.98891 
1 1 1 -28 10 1  o 62.93500 28.55864 -109.7249      228.5673 -274.7377      296.3313 132.6409       359.1322 64.76690 30.45769 94.89008 39.35393 -30.12318      49.76347 
1 1 1 -28 10 2  o 117.5104 30.79243 445.8300       214.7302 312.6286       279.8480 636.5344       334.8484 103.4010 36.74511 138.1684 39.40107 -34.76739      53.87622 
1 1 1 -28 10 3  o 334.2903 13.95524 3325.177       272.9955 3331.482       379.9242 3318.446       392.5323 332.2916 19.58198 331.2929 20.30033 0.9987183      28.20563 
1 1 1 -28 10 4  o 119.6982 29.90125 461.9730       209.2811 641.2297       272.1466 202.5600       327.3867 140.0657 33.56818 97.00110 38.53151 43.06462       51.10284 
1 1 1 -28 10 5  o 85.46645 30.83027 200.1247       197.7880 139.3413       246.2624 310.5938       331.9905 83.95242 33.39551 106.1774 39.66458 -22.22503      51.85113 
1 1 1 -28 10 6  o 413.7522 13.05375 5084.312       316.3606 5396.197       469.6877 4825.316       428.0136 423.3207 18.96677 400.6432 18.26388 22.67758       26.33074 
1 1 1 -28 10 7  o 207.9360 18.38747 1307.580       221.9258 1265.006       292.4896 1365.346       340.6987 201.8358 25.26104 208.2051 28.66122 -6.369293      38.20452 
1 1 1 -28 10 8  o 303.3010 13.99503 2741.367       248.2710 3027.834       346.3608 2438.637       356.0564 316.8232 18.72415 282.8844 21.62539 33.93878       28.60509 
1 1 1 -28 10 9  o 176.8081 20.64205 957.1061       210.0227 1034.966       275.5931 849.2494       324.3652 181.5187 26.68362 160.2338 35.45621 21.28485       44.37520 
1 1 1 -28 10 10 o 185.2464 19.43749 1045.464       208.0327 1271.334       270.9348 721.0124       324.7213 202.9593 23.17671 146.4165 37.61701 56.54274       44.18370 
1 1 1 -28 10 11 o 110.9158 28.52603 397.6556       186.6013 393.0983       237.4528 405.0145       301.7375 110.0901 33.65804 112.8267 38.26251 -2.736641      50.95963 
1 1 1 -28 10 12 o 214.6486 16.20600 1386.837       202.5044 1301.643       263.0205 1510.849       317.3343 205.6277 22.15954 220.3350 24.99874 -14.70728      33.40632 
1 1 1 -28 10 13 o 48.99514 23.11774 -177.9781      173.2894 -61.77571      220.2657 -366.7226      280.7220 64.22266 28.67985 58.36079 28.05386 5.861870       40.11923 
1 1 1 -28 10 14 o 190.7887 16.90937 1101.499       187.2468 1057.098       230.2088 1188.300       321.8763 185.0850 21.61447 192.5525 29.43632 -7.467484      36.51962 
1 1 1 -28 10 15 o 92.69482 28.14033 274.2222       166.3713 305.0227       202.1023 209.4686       293.0380 97.75974 31.22949 93.19970 36.63081 4.560036       48.13623 
1 1 1 -28 10 16 o 254.9694 14.35144 1949.896       213.7360 1959.805       245.9497 1919.329       431.9892 254.6847 16.55591 243.4493 30.95519 11.23543       35.10444 
1 1 1 -28 10 17 f 75.33244 28.21398 147.5483       168.1962 171.8730       200.9732 90.67844       307.2956 81.22479 30.74931 84.70350 35.84641 -3.478706      47.22802 
1 1 1 -28 10 18 o 337.6808 18.35687 3477.189       362.1757 3955.772       624.5697 3234.731       444.5501 348.4464 30.88235 321.5566 23.74029 26.88980       38.95281 
1 1 1 -28 10 19 o 307.5850 11.68336 2824.327       210.3745 2770.312       274.9480 2900.609       326.7392 302.5715 15.54642 307.8940 18.17548 -5.322510      23.91735 
1 1 1 -28 10 20 o 60.56987 25.18033 47.46203       147.5253 37.61897       181.5044 66.62296       253.2390 64.63779 27.46009 75.83688 32.33416 -11.19909      42.42116 
1 1 1 -28 10 21 o 73.63900 26.58573 158.9099       147.1133 233.0943       181.0984 14.97260       252.2580 85.42168 29.62081 71.56434 31.38080 13.85734       43.15260 
1 1 1 -28 10 22 o 61.49632 25.03613 68.82838       141.9072 116.8994       177.5346 -16.22989      236.1564 71.03738 28.32312 67.04018 29.83261 3.997200       41.13616 
1 1 1 -28 10 23 o 105.5853 23.49082 370.3660       141.7102 393.7646       183.0774 335.3926       223.8250 106.3690 28.69256 97.63684 32.95520 8.732162       43.69563 
1 1 1 -28 10 24 o 44.03907 20.45602 -88.93222      127.0454 -77.26741      155.7282 -112.1454      219.6826 50.38958 23.13358 58.37669 27.04087 -7.987114      35.58611 
1 1 1 -28 10 25 o 108.7781 22.07016 391.6022       135.9792 375.4262       170.2690 420.0847       225.9380 103.5240 27.55851 106.5777 32.87757 -3.053726      42.89996 
1 1 1 -28 10 26 o 51.09777 22.67951 -17.22615      135.5958 -175.1912      180.6325 186.7065       205.2385 48.59922 23.12622 78.95386 30.76577 -30.35463      38.48837 
1 1 1 -28 10 27 o 86.58841 25.39227 260.6535       137.2883 368.3016       184.8801 128.3238       204.9820 100.4675 29.46776 72.68427 29.89735 27.78319       41.97857 
1 1 1 -28 10 28 o 137.1192 18.31772 605.6673       143.6244 596.7697       196.5376 615.8646       210.4015 129.9411 26.68383 130.6909 28.27376 -0.7497559     38.87714 
1 1 1 -28 10 29 o 249.6175 11.15040 1891.224       162.8241 1768.505       222.2036 2033.528       239.2793 237.0913 16.07536 254.2354 16.13110 -17.14407      22.77344 
1 1 1 -28 10 30 o 118.3142 20.85211 469.5699       139.4049 547.7418       187.5253 373.0045       208.4230 123.2619 26.71330 97.52820 31.76382 25.73371       41.50350 
1 1 1 -28 10 31 o 166.4802 14.73269 871.1570       142.3618 790.0809       185.2834 987.9991       222.4281 153.2620 21.17896 169.8085 22.91932 -16.54655      31.20647 
1 1 1 -28 10 32 o 102.3024 22.49892 366.1700       131.3100 216.4025       161.8524 654.5735       224.6004 77.26675 27.88704 130.1194 30.03978 -52.85263      40.98872 
1 1 1 -28 10 33 o 51.71449 22.69314 15.17613       132.1343 -109.1692      167.8197 217.9980       214.3313 48.32836 22.78689 77.77153 31.08275 -29.44317      38.54063 
1 1 1 -28 10 34 o 58.28047 24.37513 73.86919       139.4673 -58.51532      178.1250 283.6062       224.2043 52.59876 24.35914 83.75979 32.28749 -31.16103      40.44564 
1 1 1 -28 10 35 o 36.90464 18.26075 -271.6583      146.4699 -295.0378      193.0992 -239.9813      224.7684 43.53400 21.43225 49.76593 24.20341 -6.231930      32.32873 
1 1 1 -28 10 36 o 78.18525 26.46588 234.6164       144.3584 329.9950       188.1378 98.07035       225.1076 88.87154 30.21229 66.86674 29.47092 22.00480       42.20566 
1 1 1 -28 10 37 f 97.03069 26.09531 363.9792       151.7081 271.2599       199.1256 492.2560       234.2158 80.92941 30.61440 103.8210 33.66151 -22.89159      45.50098 
1 1 1 -28 11 1  o 127.2407 29.30011 520.6884       214.1291 425.8429       271.9558 675.4014       347.3390 115.0422 36.16284 141.8007 40.02622 -26.75848      53.94302 
1 1 1 -28 11 2  o 315.6433 14.28873 2968.406       263.8232 2394.418       349.6330 3727.347       402.0363 280.6218 21.40574 351.4115 19.58485 -70.78976      29.01331 
1 1 1 -28 11 3  o 187.3011 20.56885 1070.352       222.2306 861.2716       286.0434 1388.710       352.9659 163.8103 30.90713 209.7086 29.51441 -45.89838      42.73583 
1 1 1 -28 11 4  o 198.4334 18.98154 1193.681       218.2110 1392.709       277.7423 872.6998       352.7164 213.1014 22.56559 161.7600 37.85428 51.34143       44.06985 
1 1 1 -28 11 5  o 331.9716 15.08083 3290.251       292.8472 3335.301       353.8442 3192.310       521.7354 332.9010 18.19283 320.0827 28.07721 12.81827       33.45608 
1 1 1 -28 11 6  o 160.0114 21.97879 789.7165       200.8115 839.6290       256.2673 710.3113       323.2310 162.8099 27.83833 145.7025 37.58086 17.10738       46.76851 
1 1 1 -28 11 7  o 184.9163 19.02122 1039.233       203.3447 914.8286       261.0414 1231.220       324.2850 170.3626 27.02810 197.2590 28.88703 -26.89642      39.55981 
1 1 1 -28 11 8  o 198.3558 17.16248 1187.392       197.6904 1113.647       253.6213 1301.568       315.5785 189.8235 23.26766 203.6683 27.09130 -13.84486      35.71166 
1 1 1 -28 11 9  o 72.11971 29.19897 85.29903       191.7815 91.71409       246.9931 75.55942       304.3374 79.55963 32.78150 84.79216 35.76802 -5.232529      48.51781 
1 1 1 -28 11 10 o 188.3524 19.13099 1080.104       208.4002 1153.961       269.6927 970.6414       328.3276 192.6056 24.42374 172.0709 33.74126 20.53473       41.65323 
1 1 1 -28 11 11 o 119.3155 26.88508 457.2651       183.6065 461.3649       226.1102 449.3287       314.5958 118.5727 31.84447 117.4506 39.06242 1.122108       50.39785 
1 1 1 -28 11 12 o 112.5650 27.64920 409.5954       181.1861 486.9592       226.5262 272.2069       301.8735 121.7151 31.49503 99.80592 37.70788 21.90922       49.13065 
1 1 1 -28 11 13 o 163.3129 20.21140 820.3586       189.4554 913.5320       237.3235 656.6558       314.5742 170.7485 24.39152 138.8883 37.67346 31.86020       44.88024 
1 1 1 -28 11 14 o 103.5417 29.10006 348.8514       184.0058 356.8145       226.8594 333.5385       314.5899 104.8314 33.03902 105.5245 38.75895 -0.6930771     50.92968 
1 1 1 -28 11 15 o 240.3255 15.25452 1737.725       213.8955 1676.540       246.6167 1923.496       429.7237 234.8584 18.04284 243.9749 30.71161 -9.116577      35.61947 
1 1 1 -28 11 16 o 212.8878 15.04534 1365.776       186.6366 1278.052       229.7315 1536.072       320.0852 204.0808 19.42821 220.7387 25.17449 -16.65794      31.79953 
1 1 1 -28 11 17 o 221.2517 21.66314 1520.502       277.5001 1368.600       574.6565 1566.696       316.8978 187.3829 50.95703 222.8219 24.66229 -35.43900      56.61137 
1 1 1 -28 11 18 o 105.4451 25.45922 363.6882       155.6438 400.9347       185.2822 274.3918       286.8850 109.7307 28.52933 96.71330 36.70949 13.01738       46.49203 
1 1 1 -28 11 19 o 94.89268 25.50036 296.5391       144.9383 312.3399       171.2841 256.6970       271.9872 96.82812 28.35347 93.48286 35.68148 3.345261       45.57507 
1 1 1 -28 11 20 o 183.3492 15.33682 1025.598       163.4072 947.1133       202.1592 1173.532       277.5458 173.6986 20.22253 190.0797 25.54302 -16.38107      32.57908 
1 1 1 -28 11 21 o 213.9389 13.30645 1384.845       166.1296 1432.953       213.4377 1310.905       264.6100 215.5587 17.02125 202.3484 22.68774 13.21034       28.36294 
1 1 1 -28 11 22 o 67.84718 25.63293 124.7344       139.4928 106.8301       171.0839 160.2425       240.9317 69.06760 27.71370 80.64142 32.69889 -11.57381      42.86335 
1 1 1 -28 11 23 o 56.90299 23.98578 36.90749       136.6964 -114.6266      168.1180 332.5459       234.8224 50.24503 23.40377 96.99454 33.72407 -46.74951      41.04935 
1 1 1 -28 11 24 o 79.66018 24.84466 212.1558       128.6207 113.2003       160.4567 390.0363       215.1306 68.00259 26.98722 103.5101 32.10723 -35.50752      41.94263 
1 1 1 -28 11 25 o 71.39017 25.47804 158.8819       134.6776 303.4935       172.1216 -69.44511      216.2781 92.77505 28.70928 59.96167 27.42863 32.81338       39.70583 
1 1 1 -28 11 26 o 95.59821 24.74542 315.2309       139.8056 247.2328       184.8371 406.1434       213.7236 84.65988 29.88410 104.3486 31.93765 -19.68872      43.73869 
1 1 1 -28 11 27 o 135.0648 18.86806 588.7966       145.3854 539.1512       197.2743 647.8145       215.0911 122.6853 28.03236 134.7763 28.12256 -12.09099      39.70758 
1 1 1 -28 11 28 o 184.2065 14.19110 1052.341       152.1293 1085.017       207.5873 1014.432       223.5894 182.6157 19.69366 174.0822 22.42013 8.533463       29.84129 
1 1 1 -28 11 29 o 84.25677 24.71696 250.8530       130.0638 107.4166       166.9329 472.4472       207.4873 66.17544 27.07329 111.0585 30.78744 -44.88305      40.99792 
1 1 1 -28 11 30 o 111.3531 21.37051 420.6111       134.4883 353.8548       179.0982 506.9233       203.6486 96.51502 29.17513 115.3003 29.87610 -18.78530      41.75847 
1 1 1 -28 11 31 o 69.66843 25.47550 162.2581       135.6734 208.6013       177.4487 97.04395       210.4995 76.90433 28.94224 68.05466 29.25723 8.849670       41.15385 
1 1 1 -28 11 32 o 53.48359 23.22064 27.22543       135.2033 -50.36240      171.8008 153.4587       219.1367 52.67262 24.22435 72.68073 30.48648 -20.00811      38.93898 
1 1 1 -28 11 33 o 84.65913 25.47701 266.7433       136.7920 323.4212       174.8903 177.4298       219.5419 90.48708 29.06586 74.09352 30.75274 16.39356       42.31495 
1 1 1 -28 11 34 o 133.7906 19.94144 606.8130       151.6980 757.1452       198.6497 396.5026       234.9591 145.3884 24.14392 95.01301 33.67878 50.37537       41.43898 
1 1 1 -28 11 35 o 38.57537 18.91345 -224.0470      145.5350 -229.3370      189.9698 -216.5315      226.4337 45.44122 22.13407 50.73414 24.58518 -5.292915      33.08093 
1 1 1 -28 11 36 o 80.21294 27.28939 251.7499       153.4994 328.1677       202.6608 148.9156       235.0941 87.66178 31.25725 70.97811 30.71856 16.68367       43.82517 
1 1 1 -28 11 37 o 68.66261 26.24048 168.8166       147.2166 137.0760       188.1742 218.8943       236.3602 67.05299 28.19604 75.70945 31.70300 -8.656456      42.42755 
1 1 1 -28 12 1  o 137.5446 49.56284 619.0712       510.9950 0.000000       0.000000 619.0712       510.9950 ?        ?        137.5446 49.56284 0.000000       49.56284 
1 1 1 -28 12 2  o 211.6583 18.45395 1355.089       226.7856 944.0894       288.9267 2014.696       366.0242 172.0671 29.70452 255.5437 24.73148 -83.47661      38.65236 
1 1 1 -28 12 3  o 307.7351 21.94241 2886.366       393.4171 0.000000       0.000000 2886.366       393.4171 ?        ?        307.7351 21.94241 0.000000       21.94241 
1 1 1 -28 12 4  o 303.6722 29.76212 2900.331       523.2535 0.000000       0.000000 2900.331       523.2535 ?        ?        303.6722 29.76212 0.000000       29.76212 
1 1 1 -28 12 5  o 209.9495 16.97218 1328.029       207.1991 929.2841       255.7290 2090.020       353.5141 172.0769 26.16294 260.8557 23.35450 -88.77879      35.07038 
1 1 1 -28 12 6  o 47.46558 22.73877 -238.2353      180.9172 -238.2192      220.3119 -238.2685      317.0317 54.47581 25.81165 68.89631 32.10727 -14.42050      41.19609 
1 1 1 -28 12 7  o 83.22155 29.12561 198.8136       175.3107 132.7329       216.9861 323.0350       297.5039 79.82656 31.47625 104.7128 37.80639 -24.88625      49.19429 
1 1 1 -28 12 8  o 249.2151 14.45710 1856.661       210.3961 1904.849       268.2764 1779.669       339.1060 250.9954 18.35178 239.7875 24.45537 11.20787       30.57536 
1 1 1 -28 12 9  o 202.4084 16.42415 1234.499       193.2936 1345.129       245.7639 1055.079       312.9813 209.9355 20.21043 181.1679 30.54187 28.76756       36.62332 
1 1 1 -28 12 10 o 71.56107 28.97401 84.91158       188.8469 69.39815       238.1807 111.1735       309.8961 76.49033 31.91242 87.64384 36.47034 -11.15350      48.46120 
1 1 1 -28 12 11 o 87.54363 30.25736 227.3031       188.8998 352.6238       237.0877 9.456537       312.5886 104.9216 33.85476 81.00619 35.23735 23.91541       48.86528 
1 1 1 -28 12 12 o 330.8301 13.24558 3263.105       256.4765 3376.014       359.0272 3145.438       366.5138 333.9886 18.40037 321.7241 19.51658 12.26456       26.82295 
1 1 1 -28 12 13 o 262.3970 14.30137 2062.153       219.2514 2284.777       286.5706 1747.870       340.4909 274.6477 17.88854 236.4944 24.92332 38.15324       30.67852 
1 1 1 -28 12 14 o 203.3391 16.66702 1252.210       197.0174 1103.309       243.0249 1537.695       336.5067 188.3643 22.43961 220.4260 26.56536 -32.06168      34.77433 
1 1 1 -28 12 15 o 129.9197 25.20714 541.5272       185.1351 417.3932       228.1498 780.8594       316.7928 111.7832 32.72076 150.8619 36.25656 -39.07867      48.83837 
1 1 1 -28 12 16 o 235.0778 14.48581 1662.898       198.7424 1507.463       254.1609 1907.504       318.8375 221.3446 19.78742 247.7397 22.17876 -26.39508      29.72271 
1 1 1 -28 12 17 o 143.8488 20.07418 645.5759       164.7476 536.2782       196.3066 905.9241       302.9749 127.8939 27.01972 163.7642 32.69119 -35.87033      42.41201 
1 1 1 -28 12 18 f 107.6937 27.12069 385.5570       171.1683 458.1207       185.2169 -39.07736      448.0520 117.3954 27.40288 88.69833 40.14377 28.69704       48.60494 
1 1 1 -28 12 19 f 159.9478 17.07553 788.7549       157.7036 697.8078       194.1455 965.1612       270.3897 147.3616 23.23298 170.7117 27.97513 -23.35011      36.36453 
1 1 1 -28 12 20 o 238.1592 12.10144 1705.050       168.4725 1735.131       209.3888 1649.826       283.7057 238.6821 15.03471 228.4189 21.42823 10.26315       26.17655 
1 1 1 -28 12 21 o 144.2896 17.55546 649.9756       145.5048 690.9398       176.9960 564.5793       255.5530 146.9087 21.15186 124.7155 34.00874 22.19326       40.04992 
1 1 1 -28 12 22 f 154.9885 17.01208 748.4614       152.0962 908.7378       193.3994 488.6371       246.2409 169.2149 19.86584 115.3235 34.05696 53.89139       39.42751 
1 1 1 -28 12 23 o 68.48011 25.67207 132.9286       139.3238 181.9363       175.4407 49.24937       229.2490 77.33767 28.84536 69.87708 30.28792 7.460587       41.82598 
1 1 1 -28 12 24 o 147.4901 17.73399 686.3285       150.3244 732.8233       193.1485 614.8981       239.4035 149.2308 22.79059 129.9939 31.69289 19.23689       39.03653 
1 1 1 -28 12 25 o 175.4453 14.67492 950.0740       149.6150 1121.089       192.2595 687.4987       238.2308 188.6948 17.57520 138.3415 30.21097 50.35327       34.95126 
1 1 1 -28 12 26 o 172.7390 14.80167 925.0744       148.5078 832.0854       189.2843 1073.966       239.5156 159.7803 20.68443 179.4688 23.30581 -19.68854      31.16097 
1 1 1 -28 12 27 o 100.3484 24.39979 350.7159       142.1888 225.3201       181.1944 551.7031       229.3969 80.84892 29.45973 120.1748 31.98605 -39.32584      43.48544 
1 1 1 -28 12 28 o 124.5296 20.10053 511.9940       141.8038 486.9587       188.9265 544.2957       214.5997 115.3628 28.17158 120.1452 30.42837 -4.782417      41.46714 
1 1 1 -28 12 29 o 46.16280 21.25034 -61.81590      132.6398 -55.80442      169.3098 -71.36765      213.4190 52.69564 24.16595 57.79663 26.73023 -5.100990      36.03468 
1 1 1 -28 12 30 o 53.33761 23.07616 25.34103       132.5787 227.2661       169.7728 -290.2686      212.2503 79.40568 28.57389 47.37050 23.14412 32.03518       36.77115 
1 1 1 -28 12 31 o 88.48450 25.81887 288.5134       142.2491 399.0548       191.1227 151.2286       212.9907 100.6528 30.07409 72.43594 30.19598 28.21686       42.61746 
1 1 1 -28 12 32 o 102.9970 24.07990 382.2283       142.8370 290.5516       182.2717 528.1212       229.9358 86.03319 29.72242 112.3340 32.83931 -26.30079      44.29269 
1 1 1 -28 12 33 o 118.3863 21.67675 486.6740       144.9588 405.1291       183.9901 620.1320       235.3792 100.9007 29.34130 122.3628 32.32292 -21.46209      43.65413 
1 1 1 -28 12 34 o 64.52586 25.34599 130.6311       140.2258 30.35721       173.8139 317.5594       237.3165 57.91039 25.69178 86.25454 33.22634 -28.34415      42.00068 
1 1 1 -28 12 35 o 36.25387 17.99104 -285.5948      146.0975 -463.1877      188.7973 -20.51499      230.6595 37.80579 19.00917 60.11040 27.79631 -22.30461      33.67467 
1 1 1 -28 12 36 o 88.11031 26.76189 304.4900       150.4456 282.7940       189.9433 341.0152       246.4509 82.71127 30.15888 87.00376 33.76649 -4.292496      45.27399 
1 1 1 -28 13 1  o 69.46781 29.28751 37.07706       203.8651 -3.748936      244.4648 130.2954       369.4015 72.01945 31.24640 95.08566 39.71194 -23.06622      50.53094 
1 1 1 -28 13 2  o 247.5160 16.47074 1840.313       237.7327 1981.354       309.0473 1635.888       372.0647 255.0828 20.83971 227.9994 28.44175 27.08340       35.25942 
1 1 1 -28 13 3  o 315.9622 23.73330 3065.775       436.5741 0.000000       0.000000 3065.775       436.5741 ?        ?        315.9622 23.73330 0.000000       23.73330 
1 1 1 -28 13 4  o 323.5979 13.57863 3118.714       257.1259 3017.252       337.5251 3259.021       396.9127 316.3137 18.27216 327.4784 20.77333 -11.16467      27.66592 
1 1 1 -28 13 5  o 232.5988 15.97805 1624.592       216.6384 1213.732       272.4087 2331.578       357.3383 197.9039 23.95729 275.9972 22.26502 -78.09332      32.70601 
1 1 1 -28 13 6  o 59.28751 26.07559 -30.37759      175.3677 38.03661       211.5481 -180.6765      313.5551 70.53024 29.79001 70.98583 32.67563 -0.4555969     44.21698 
1 1 1 -28 13 7  o 130.6728 23.99600 537.6863       177.1223 668.7735       212.9287 243.2275       319.1292 145.3517 25.92957 98.80827 38.40289 46.54339       46.33707 
1 1 1 -28 13 8  o 139.5942 37.55978 658.3875       314.2006 0.000000       0.000000 658.3875       314.2006 ?        ?        139.5942 37.55978 0.000000       37.55978 
1 1 1 -28 13 9  o 222.8551 15.22788 1490.576       197.8313 1544.382       248.6033 1397.671       326.6714 225.4537 18.97781 210.6700 27.06423 14.78362       33.05495 
1 1 1 -28 13 10 o 120.1930 25.69301 462.1763       175.6206 395.1643       210.1490 617.3430       319.7794 109.9425 31.16809 134.6283 38.54078 -24.68576      49.56654 
1 1 1 -28 13 11 o 370.2484 12.79410 4082.270       277.3961 4432.220       387.3388 3713.809       397.4514 383.4270 17.26926 349.6195 19.46054 33.80750       26.01807 
1 1 1 -28 13 12 o 194.5136 16.71469 1145.614       188.8301 987.8417       229.0516 1480.318       333.6174 178.2816 22.39991 216.3010 26.87705 -38.01942      34.98759 
1 1 1 -28 13 13 o 224.2940 15.28201 1514.885       199.8237 1402.612       249.4847 1715.798       333.7417 213.7324 20.14065 234.0529 24.68476 -20.32047      31.85880 
1 1 1 -28 13 14 o 71.08932 27.93691 108.5254       170.4266 144.1182       205.4139 29.90734       305.2884 78.76474 30.75396 80.53814 34.93021 -1.773399      46.53951 
1 1 1 -28 13 15 o 271.1839 13.03300 2200.754       206.6739 2293.660       270.2373 2069.844       320.7808 275.0361 16.83413 258.6574 21.33580 16.37866       27.17727 
1 1 1 -28 13 16 o 253.6474 13.25768 1930.158       196.5342 1756.781       242.5111 2261.915       335.4635 240.0315 17.34409 269.9340 21.36441 -29.90242      27.51828 
1 1 1 -28 13 17 o 361.8312 11.86896 3912.153       251.5250 3625.215       341.1295 4253.989       372.3358 344.9920 16.91162 373.6722 17.03481 -28.68018      24.00391 
1 1 1 -28 13 18 o 67.46703 26.18317 108.4614       148.1801 26.39695       174.2965 322.4164       281.4313 62.51022 26.74320 99.58731 36.64569 -37.07709      45.36634 
1 1 1 -28 13 19 o 255.8870 21.43826 2065.519       318.7729 2733.048       541.9598 1712.420       394.1668 281.1947 33.52251 224.8949 30.68420 56.29982       45.44534 
1 1 1 -28 13 20 o 205.8028 15.51378 1297.875       185.8704 1122.307       213.3265 1851.277       378.7404 188.9408 19.53300 235.4538 27.97358 -46.51299      34.11831 
1 1 1 -28 13 21 o 263.7205 12.04373 2095.836       185.7837 2422.784       246.6389 1667.003       282.4659 281.5358 14.99153 228.6539 21.30913 52.88187       26.05427 
1 1 1 -28 13 22 o 73.74307 25.73784 171.2328       136.8440 222.1337       165.1103 59.55482       244.5655 82.07799 28.29158 72.37259 31.32665 9.705399       42.21105 
1 1 1 -28 13 23 o 154.8599 17.33010 752.8342       154.6989 1008.946       195.7905 327.2589       252.3858 178.3739 19.00836 95.76391 34.78736 82.60999       39.64188 
1 1 1 -28 13 24 o 65.78225 25.61242 112.7623       142.1492 45.82389       174.2415 245.9731       245.8011 62.60668 26.76058 87.00143 33.73399 -24.39476      43.05939 
1 1 1 -28 13 25 o 130.6686 19.11273 550.1875       142.1370 519.4219       175.4216 608.9923       242.5253 123.0343 25.16073 127.5805 32.36738 -4.546196      40.99646 
1 1 1 -28 13 26 o 87.71960 24.90986 268.5750       134.1164 90.08312       164.3480 624.3937       232.0437 64.84473 26.73167 129.6055 30.95460 -64.76077      40.89950 
1 1 1 -28 13 27 o 166.6618 15.15605 868.9931       146.5214 895.5280       187.1564 826.9792       235.5007 165.8230 19.62452 152.5951 27.31803 13.22789       33.63624 
1 1 1 -28 13 28 o 55.78831 23.78677 39.58154       137.0560 -4.650889      176.4377 106.8813       217.6345 57.46320 25.66436 70.55592 30.02522 -13.09272      39.49902 
1 1 1 -28 13 29 o 79.76230 25.17270 226.2401       131.6506 361.1637       171.6016 33.22023       205.2477 98.16007 28.27446 63.31628 28.01292 34.84380       39.80162 
1 1 1 -28 13 30 o 45.70366 21.13618 -65.97486      133.4104 -36.64422      172.2049 -110.0056      210.9903 53.94992 24.60081 54.84052 25.76161 -0.8905945     35.62107 
1 1 1 -28 13 31 o 48.53585 23.30128 -181.4964      192.2592 -995.7762      427.5923 24.84068       215.2443 53.93130 27.29644 62.83359 28.18351 -8.902287      39.23526 
1 1 1 -28 13 32 o 71.66072 25.75051 181.4210       137.8242 65.52603       176.1907 364.1525       221.2367 61.51715 26.60860 92.92348 32.70360 -31.40633      42.16092 
1 1 1 -28 13 33 o 44.35176 20.88958 -97.42558      140.3588 -103.2355      179.7556 -88.34984      224.6667 50.19539 23.64138 56.61506 26.59150 -6.419674      35.58121 
1 1 1 -28 13 34 o 180.2776 14.81002 1036.873       155.2048 970.6595       201.9446 1132.421       242.5878 167.9073 20.96289 177.7637 23.87173 -9.856415      31.76952 
1 1 1 -28 13 35 o 55.44637 24.09444 43.74237       145.8411 -189.5140      184.5671 431.4815       237.9619 46.22085 22.34951 97.08588 33.93634 -50.86503      40.63465 
1 1 1 -28 13 36 o 130.1135 21.18262 593.2171       156.0860 545.3354       198.8252 670.1215       251.9779 115.8848 29.25540 122.2989 33.93739 -6.414146      44.80652 
1 1 1 -28 14 1  f 394.0699 13.56169 4623.355       312.9607 4676.289       425.6825 4561.087       461.6942 393.7974 18.48314 387.7624 20.37345 6.035034       27.50826 
1 1 1 -28 14 2  o 143.2654 27.91762 656.3876       226.1348 488.5382       250.2690 1402.916       527.8010 121.7517 33.83590 199.9260 45.97494 -78.17426      57.08382 
1 1 1 -28 14 3  o 264.0540 15.41137 2089.040       237.6253 2008.286       300.2559 2224.395       388.7299 256.9869 20.08120 267.9721 25.02412 -10.98514      32.08522 
1 1 1 -28 14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 14 5  o 275.3162 14.92259 2268.327       240.0492 2186.602       312.0728 2386.753       375.6653 268.1707 19.98611 278.5508 23.20630 -10.38000      30.62641 
1 1 1 -28 14 6  o 144.9450 21.98842 652.6411       181.0571 625.8729       212.9311 722.5175       344.0286 140.0508 26.90156 145.4716 39.37176 -5.420822      47.68469 
1 1 1 -28 14 7  o 241.0992 14.96381 1742.216       210.5439 1706.198       261.9542 1807.943       353.8691 237.0281 19.00317 240.8576 25.43510 -3.829468      31.75003 
1 1 1 -28 14 8  f 50.95133 23.68919 -136.3314      171.0053 -71.83166      200.9421 -305.7221      325.6392 60.42984 27.15800 66.85664 31.58926 -6.426807      41.65859 
1 1 1 -28 14 9  o 156.5430 22.46064 763.0472       200.3095 729.6747       216.5497 960.8405       527.1917 151.9222 25.18609 161.2278 50.30162 -9.305603      56.25470 
1 1 1 -28 14 10 o 194.0719 16.64123 1139.627       187.5815 1178.074       226.5620 1055.826       334.4864 196.0337 19.98557 179.0138 33.07786 17.01988       38.64670 
1 1 1 -28 14 11 o 529.5668 17.31526 8463.344       537.0518 0.000000       0.000000 8463.344       537.0518 ?        ?        529.5668 17.31526 0.000000       17.31526 
1 1 1 -28 14 12 o 84.77084 29.40149 214.9998       178.4309 225.8511       196.0141 162.5268       431.0362 87.23473 30.77602 100.0835 42.40935 -12.84875      52.39959 
1 1 1 -28 14 13 o 104.0133 27.27129 353.7918       168.3658 406.4484       196.9229 210.7017       324.6196 110.7962 29.70151 94.90876 38.14293 15.88741       48.34318 
1 1 1 -28 14 14 o 223.2930 14.66930 1502.314       191.0395 1613.286       238.5170 1303.728       319.0715 229.9896 17.82217 201.1558 27.78753 28.83377       33.01177 
1 1 1 -28 14 15 o 146.1355 19.19581 662.9396       160.5437 648.7631       192.3663 695.4749       291.4217 142.4841 23.86345 141.4633 35.25388 1.020782       42.57111 
1 1 1 -28 14 16 f 104.2578 24.32665 354.9552       146.0133 309.7137       171.6723 473.2825       277.6350 96.55373 28.41615 116.0507 36.54651 -19.49696      46.29390 
1 1 1 -28 14 17 o 69.11661 26.63868 117.8533       152.5991 42.87468       183.9283 283.4576       273.3479 65.34377 27.69658 95.56404 35.93071 -30.22027      45.36646 
1 1 1 -28 14 18 o 191.0669 15.62135 1116.524       173.5203 1002.087       216.5061 1322.043       290.1421 177.9401 21.16051 201.8735 25.04318 -23.93346      32.78609 
1 1 1 -28 14 19 o 80.58459 27.01378 209.6903       150.4067 133.7254       165.8441 561.6904       356.9971 71.74184 27.73865 120.5141 41.59825 -48.77224      49.99847 
1 1 1 -28 14 20 o 47.19819 21.68165 -75.74265      137.0802 -111.5645      160.7311 19.82445       262.5307 49.25610 22.92317 72.07523 31.79405 -22.81913      39.19609 
1 1 1 -28 14 21 o 313.8492 10.92378 2955.907       200.7621 3139.541       267.9617 2720.926       303.1188 320.8961 14.27401 295.8171 17.55074 25.07901       22.62246 
1 1 1 -28 14 22 o 119.7240 21.89405 470.4230       148.0665 412.4809       179.5312 593.6608       261.8272 108.5117 28.01793 125.7808 34.47440 -17.26909      44.42396 
1 1 1 -28 14 23 o 212.3576 13.33100 1375.654       165.1902 1489.138       210.0022 1191.467       267.5372 218.7734 16.48873 189.0028 24.72854 29.77065       29.72169 
1 1 1 -28 14 24 o 92.31266 25.94576 296.8200       146.2725 341.6062       181.3165 213.3508       247.5304 97.36160 29.33878 83.60285 33.40675 13.75874       44.46094 
1 1 1 -28 14 25 o 38.99741 18.91701 -194.7951      134.9511 -51.67664      167.7399 -457.4129      227.2221 53.46703 24.34160 44.96090 22.33319 8.506130       33.03460 
1 1 1 -28 14 26 o 134.1137 18.39929 580.5834       140.9079 605.6893       175.9392 535.6739       235.3124 133.5435 23.31176 117.3676 32.88015 16.17594       40.30561 
1 1 1 -28 14 27 o 158.1908 15.65004 787.8165       143.2928 856.6707       180.4678 670.3530       235.7144 162.1940 19.35347 133.4953 30.74224 28.69876       36.32688 
1 1 1 -28 14 28 o 111.3581 24.39651 435.8137       154.9158 467.4140       181.2392 350.1099       298.4742 112.8147 27.61877 93.18121 36.86198 19.63349       46.06086 
1 1 1 -28 14 29 o 84.83557 25.67727 261.2846       138.6655 307.9008       180.2383 193.6754       217.0608 89.72399 29.55665 77.06689 31.11338 12.65710       42.91431 
1 1 1 -28 14 30 o 51.54816 22.84195 1.720260       136.9879 112.5195       176.8729 -164.3738      216.5558 66.40692 27.58616 52.75272 25.16390 13.65420       37.33923 
1 1 1 -28 14 31 o 143.2571 17.27965 668.5975       142.2493 570.9171       181.7069 823.2264       228.6193 125.1525 25.61950 149.2168 27.12309 -24.06430      37.30979 
1 1 1 -28 14 32 o 41.49879 19.83152 -132.8738      135.7925 -63.47771      173.6989 -241.9487      217.7671 51.75317 23.99775 49.17849 23.89613 2.574673       33.86616 
1 1 1 -28 14 33 f 125.1142 20.26910 535.3022       143.6435 419.3312       177.7831 753.3650       243.7847 103.0225 28.47517 136.4107 31.15764 -33.38813      42.20940 
1 1 1 -28 14 34 o 48.54808 22.01269 -21.40228      135.4685 -58.76707      163.4465 60.59016       242.1203 50.09622 23.24644 65.77902 29.66474 -15.68280      37.68811 
1 1 1 -28 14 35 o 91.67210 25.78459 322.7102       144.4057 291.3450       175.4287 388.6287       254.3199 84.48283 29.16041 91.34420 34.58814 -6.861374      45.24012 
1 1 1 -28 15 1  o 180.9211 20.09963 1001.993       209.6738 948.9807       251.5540 1122.646       379.5013 173.8780 25.41916 183.5766 36.53421 -9.698563      44.50710 
1 1 1 -28 15 2  o 272.4301 16.47297 2231.839       261.9651 2243.981       304.0432 2196.851       516.1071 271.9800 19.18416 259.6570 34.76406 12.32309       39.70607 
1 1 1 -28 15 3  o 463.7582 15.61141 6439.357       423.9989 6209.206       511.4034 6945.428       758.3369 452.9329 19.29637 471.5987 27.53802 -18.66574      33.62577 
1 1 1 -28 15 4  o 392.4110 21.16443 4694.905       485.2755 0.000000       0.000000 4694.905       485.2755 ?        ?        392.4110 21.16443 0.000000       21.16443 
1 1 1 -28 15 5  o 77.02286 30.60812 119.0127       206.6678 51.76525       224.3000 496.9947       531.7735 73.17301 30.77753 127.7392 49.59356 -54.56618      58.36761 
1 1 1 -28 15 6  o 268.1746 17.55454 2173.075       274.5766 2273.863       312.6370 1833.086       574.2083 273.3495 19.63241 229.1079 44.33747 44.24165       48.48961 
1 1 1 -28 15 7  o 193.8446 17.85985 1141.417       200.7591 1081.357       241.4264 1276.030       361.4388 186.7656 22.49364 197.8913 32.25256 -11.12575      39.32164 
1 1 1 -28 15 8  o 147.4411 21.85061 677.2472       183.2336 684.6974       217.4397 658.9963       340.3276 146.4559 26.28086 137.9667 39.84201 8.489212       47.72913 
1 1 1 -28 15 9  o 247.0528 14.53741 1830.999       209.7025 1813.766       263.0462 1861.051       347.3594 244.1954 18.50499 244.0974 24.59934 0.9803772E-01  30.78250 
1 1 1 -28 15 10 o 130.7683 23.64350 542.1658       174.6553 486.9687       206.8194 679.3937       326.1028 121.6738 29.32896 139.9133 38.52415 -18.23948      48.41795 
1 1 1 -28 15 11 o 46.12267 21.90445 -180.6149      160.4603 -84.07824      185.0283 -473.4505      322.2582 56.56340 25.67828 59.94946 29.11583 -3.386063      38.82146 
1 1 1 -28 15 12 o 131.1929 22.07179 542.7498       163.8009 611.2046       190.6499 349.7519       320.1187 138.4108 24.37644 106.0371 39.07230 32.37366       46.05275 
1 1 1 -28 15 13 o 124.7520 21.95263 492.7673       154.7520 569.6924       180.1274 275.9776       302.3882 133.5224 23.87915 98.16254 37.58446 35.35988       44.52870 
1 1 1 -28 15 14 o 139.5384 19.35166 606.3598       154.1091 613.4080       178.4605 585.6904       305.6100 138.9142 22.68747 128.3415 37.95134 10.57268       44.21567 
1 1 1 -28 15 15 o 211.6214 14.67044 1356.018       180.9492 1381.332       226.9852 1311.884       299.7162 211.6778 18.46878 201.6251 25.94717 10.05266       31.84888 
1 1 1 -28 15 16 o 197.1123 15.08825 1181.979       173.0969 1004.366       211.4059 1543.266       301.5134 178.8848 20.52201 219.8667 23.75976 -40.98190      31.39553 
1 1 1 -28 15 17 o 163.3206 17.14277 824.7221       161.7553 913.6830       181.6039 483.1859       355.8310 171.3560 18.35644 114.6398 41.35249 56.71617       45.24365 
1 1 1 -28 15 18 o 71.29942 26.37676 144.7215       146.1371 138.6962       160.4503 174.0445       353.9611 71.82278 27.40763 90.26736 38.34784 -18.44458      47.13528 
1 1 1 -28 15 19 o 106.3548 24.45337 378.1985       149.3357 214.9879       178.5125 758.7069       272.5692 82.14460 29.33090 145.8110 32.68406 -63.66637      43.91525 
1 1 1 -28 15 20 o 76.46734 26.35658 187.0449       143.2968 123.1044       171.9685 332.2959       259.1914 70.58461 27.96199 97.24617 35.26368 -26.66156      45.00444 
1 1 1 -28 15 21 o 89.86231 24.98755 274.6392       136.4476 239.1661       157.3461 382.2048       273.9954 84.08591 27.61175 101.7540 36.33753 -17.66809      45.63798 
1 1 1 -28 15 22 o 198.6395 13.76946 1206.863       159.4177 1156.982       197.7419 1299.478       269.4435 191.8787 17.77400 198.6132 23.59218 -6.734512      29.53821 
1 1 1 -28 15 23 o 89.49457 25.98365 277.8849       144.3921 261.2469       174.7944 313.6319       256.2096 86.57973 29.12255 93.49516 34.86110 -6.915436      45.42487 
1 1 1 -28 15 24 o 75.44395 25.74593 189.6821       136.6433 173.0359       164.7487 226.3740       244.5963 74.44333 27.91455 84.09456 33.33707 -9.651230      43.48083 
1 1 1 -28 15 25 o 114.6664 21.95134 441.8643       142.2461 434.3436       175.3049 456.3598       243.3795 109.9544 27.30889 107.3167 34.26928 2.637619       43.81962 
1 1 1 -28 15 26 o 157.7076 15.73844 782.9519       143.6259 827.6804       180.4114 705.5453       237.3344 159.1907 19.74709 137.8333 30.19675 21.35741       36.08035 
1 1 1 -28 15 27 o 109.0077 22.73491 408.2563       140.6333 400.0616       177.0581 422.2618       231.4745 103.7930 28.30978 102.5236 33.47988 1.269440       43.84456 
1 1 1 -28 15 28 o 100.2612 24.10463 355.4119       139.9839 352.3542       179.3626 360.1766       223.8971 96.21272 29.22045 94.86010 32.93317 1.352615       44.02759 
1 1 1 -28 15 29 o 146.6785 16.89684 693.2819       142.6997 655.2462       186.6030 746.8546       221.4599 136.5158 24.19248 142.6179 27.47356 -6.102142      36.60700 
1 1 1 -28 15 30 o 42.52734 20.24175 -127.1571      138.5512 -46.90601      177.1728 -253.4951      222.2996 53.62839 24.64056 49.66666 24.13568 3.961727       34.49186 
1 1 1 -28 15 31 o 101.1058 24.08290 369.9053       140.7532 540.4232       180.8341 107.8148       224.1924 120.8036 26.27387 68.86809 29.90068 51.93547       39.80411 
1 1 1 -28 15 32 o 49.43862 22.31474 -18.05452      137.3446 -200.1138      175.7419 267.6195       220.1427 44.83373 21.70999 82.04541 31.89352 -37.21168      38.58135 
1 1 1 -28 15 33 o 140.1865 18.38701 656.0987       147.5302 512.7189       184.5440 909.9921       245.5735 114.9787 27.69783 153.8649 28.25485 -38.88618      39.56648 
1 1 1 -28 15 34 o 58.89517 24.24665 89.19432       134.9742 149.1075       159.8237 -59.80448      252.0410 67.33478 26.86449 60.02290 28.18354 7.311874       38.93601 
1 1 1 -28 15 35 o 47.80851 22.04278 -44.80436      143.5185 -104.3808      168.2878 114.0840       274.8281 47.83024 22.63214 70.25116 31.65009 -22.42092      38.90941 
1 1 1 -28 16 1  o 291.1563 15.85749 2547.299       269.7545 2267.467       300.1123 3724.336       615.5036 273.2896 18.83979 341.2292 31.09762 -67.93967      36.35931 
1 1 1 -28 16 2  o 303.1367 14.38174 2749.200       254.9531 2476.924       311.6147 3300.503       443.4125 285.7392 18.69778 327.1210 23.26443 -41.38187      29.84695 
1 1 1 -28 16 3  o 178.5080 19.86467 977.4383       204.4461 835.5545       221.6539 1786.262       529.2196 163.3060 23.84636 228.3158 41.03110 -65.00981      47.45735 
1 1 1 -28 16 4  f 510.5880 27.57758 8182.559       822.7398 0.000000       0.000000 8182.559       822.7398 ?        ?        510.5880 27.57758 0.000000       27.57758 
1 1 1 -28 16 5  o 349.4446 22.57574 3759.580       460.1936 0.000000       0.000000 3759.580       460.1936 ?        ?        349.4446 22.57574 0.000000       22.57574 
1 1 1 -28 16 6  o 200.7829 18.17673 1227.230       211.7227 959.6226       247.0262 1967.927       410.9736 174.5549 24.82962 248.4711 28.73122 -73.91621      37.97358 
1 1 1 -28 16 7  o 183.4984 18.76779 1029.800       199.1325 891.7408       234.8090 1383.422       375.7944 168.2018 24.52446 205.5686 32.22903 -37.36673      40.49889 
1 1 1 -28 16 8  o 135.3285 49.59348 646.6547       514.5903 0.000000       0.000000 646.6547       514.5903 ?        ?        135.3285 49.59348 0.000000       49.59348 
1 1 1 -28 16 9  o 114.2582 26.44096 424.2652       173.6671 466.7876       205.8277 319.1841       323.5616 118.8089 29.63889 103.8612 39.08295 14.94775       49.05038 
1 1 1 -28 16 10 o 104.8962 27.28603 360.3074       169.4286 318.7930       197.6478 475.3531       329.0240 98.83807 30.79377 118.1185 39.95589 -19.28046      50.44531 
1 1 1 -28 16 11 o 109.1164 25.51629 387.3604       160.3568 339.8332       187.4691 516.9554       309.5655 101.4397 29.65144 121.8566 38.61884 -20.41687      48.68904 
1 1 1 -28 16 12 o 81.93263 26.59767 211.1170       146.2040 276.5057       166.0609 -14.29942      308.3252 92.11471 28.14416 77.42631 34.29089 14.68840       44.36168 
1 1 1 -28 16 13 o 191.1783 29.04786 1202.480       315.4551 0.000000       0.000000 1202.480       315.4551 ?        ?        191.1783 29.04786 0.000000       29.04786 
1 1 1 -28 16 14 o 205.0580 14.61571 1274.277       174.6187 1146.875       212.5836 1538.540       306.1682 192.2959 19.10220 219.5802 24.17427 -27.28424      30.81054 
1 1 1 -28 16 15 o 181.7079 40.46682 1222.489       420.1756 0.000000       0.000000 1222.489       420.1756 ?        ?        181.7079 40.46682 0.000000       40.46682 
1 1 1 -28 16 16 o 74.67003 25.78313 171.9428       137.1514 110.2234       157.8654 361.9247       276.9697 68.43805 26.88988 102.3889 36.53756 -33.95083      45.36583 
1 1 1 -28 16 17 o 245.5751 21.09371 1908.810       300.8596 0.000000       0.000000 1908.810       300.8596 ?        ?        245.5751 21.09371 0.000000       21.09371 
1 1 1 -28 16 18 o 76.95317 27.22847 184.9626       153.5192 68.31357       172.2710 634.9748       338.3636 65.27333 27.17911 127.1645 40.38419 -61.89114      48.67840 
1 1 1 -28 16 19 o 48.25651 22.04639 -65.39980      139.1488 -73.02017      151.6073 -24.66707      350.5125 50.03278 22.91600 77.71887 35.30605 -27.68610      42.09109 
1 1 1 -28 16 20 o 123.5585 21.15837 496.5827       147.8112 433.6719       182.5641 616.2954       251.8391 111.4293 27.97964 129.5524 33.04533 -18.12309      43.29959 
1 1 1 -28 16 21 o 128.7638 20.24694 535.8486       147.8572 354.4373       177.3196 949.8121       267.8586 100.0518 28.71756 165.4284 28.64561 -65.37666      40.56192 
1 1 1 -28 16 22 o 204.7726 13.25424 1280.617       158.3208 1268.540       194.6225 1304.242       272.2172 201.5446 16.61274 198.1981 23.90079 3.346436       29.10723 
1 1 1 -28 16 23 o 60.70814 24.65853 77.94941       137.2861 1.469640       164.2860 254.9793       249.9486 57.07890 25.16607 87.08170 33.94646 -30.00280      42.25747 
1 1 1 -28 16 24 o 58.41306 23.95485 67.64419       131.0851 -37.63146      157.0521 309.4200       238.0051 52.61520 23.79450 91.30742 33.68244 -38.69222      41.23936 
1 1 1 -28 16 25 o 55.86946 23.62214 43.75423       133.2425 135.7781       162.1948 -147.2477      233.6714 69.12665 27.22699 56.89579 26.84537 12.23086       38.23588 
1 1 1 -28 16 26 o 74.69456 26.00959 190.6072       139.7045 272.0419       178.5076 61.88674       224.4274 86.04333 29.42522 67.77088 29.66137 18.27245       41.78086 
1 1 1 -28 16 27 o 62.36577 24.84184 102.1177       136.4450 50.53916       172.5336 188.2339       222.9368 61.09425 26.37807 77.33971 31.41953 -16.24546      41.02426 
1 1 1 -28 16 28 o 57.31870 24.22087 56.08620       139.9496 121.2799       177.0859 -52.36700      228.4033 67.61420 27.79777 60.07614 27.73775 7.538055       39.26957 
1 1 1 -28 16 29 o 100.8528 24.72247 367.7683       145.0778 603.8499       185.1341 -7.896954      233.5371 129.6713 25.25245 62.73687 28.62337 66.93448       38.17045 
1 1 1 -28 16 30 o 47.63293 21.82886 -45.22647      137.8182 -6.982813      181.1445 -97.78963      212.3665 56.60236 25.58019 55.03703 25.85126 1.565327       36.36804 
1 1 1 -28 16 31 o 72.23928 25.84449 186.4946       138.6662 110.3621       176.5521 309.0757       224.0264 65.37945 27.39019 86.49684 32.52663 -21.11739      42.52298 
1 1 1 -28 16 32 o 88.58357 25.80228 297.7932       142.1773 357.9898       188.9439 219.2136       215.8746 93.21548 30.23459 76.87144 31.03046 16.34404       43.32459 
1 1 1 -28 16 33 o 45.76272 21.29557 -66.67262      138.6700 78.84834       170.9703 -346.4592      237.0671 61.30945 26.36257 47.56060 23.47769 13.74885       35.30137 
1 1 1 -28 16 34 o 127.3040 21.26105 566.5120       153.1424 672.7550       185.9632 342.6357       269.9484 135.7958 24.23956 86.63135 34.79454 49.16447       42.40538 
1 1 1 -28 17 1  o 151.2750 24.29342 722.9515       208.2349 735.2209       241.5780 687.4788       410.7638 150.7336 28.36806 138.9825 44.53499 11.75102       52.80258 
1 1 1 -28 17 2  o 184.8818 19.92836 1050.577       212.6716 923.5421       249.9187 1384.045       404.9153 170.6277 25.77762 203.6737 35.16936 -33.04599      43.60469 
1 1 1 -28 17 3  o 261.5016 15.15242 2055.686       231.3891 1956.998       281.4523 2261.488       406.4404 253.3147 19.08534 268.0247 26.19044 -14.70996      32.40662 
1 1 1 -28 17 4  o 318.7097 15.41014 3053.747       287.1861 3120.937       336.0955 2871.966       552.8254 320.8169 17.93441 297.1251 32.24089 23.69177       36.89333 
1 1 1 -28 17 5  o 154.6743 22.67871 750.0208       199.6164 603.6648       233.9611 1141.652       382.7163 135.2331 30.25686 183.0830 36.91914 -47.84993      47.73364 
1 1 1 -28 17 6  o 195.0904 18.56179 1163.960       209.8204 1104.916       251.9473 1297.586       379.0236 187.8191 23.37738 197.3157 33.97913 -9.496597      41.24419 
1 1 1 -28 17 7  o 144.5689 25.03042 667.3628       204.5416 925.0986       246.4784 97.26826       366.5767 170.5419 25.41846 90.63428 38.77978 79.90765       46.36777 
1 1 1 -28 17 8  o 89.81155 28.29803 258.0078       166.4337 358.5670       192.4393 -40.45926      331.5364 104.1414 29.92485 79.02689 35.24546 25.11451       46.23569 
1 1 1 -28 17 9  o 108.2378 25.97988 382.5527       162.8187 400.0366       187.5386 329.0361       328.1072 109.8347 28.77475 104.1394 39.31954 5.695229       48.72384 
1 1 1 -28 17 10 o 75.75166 36.48224 -512.0839      479.9763 0.000000       0.000000 -512.0839      479.9763 ?        ?        75.75166 36.48224 0.000000       36.48224 
1 1 1 -28 17 11 o 133.6044 20.29767 560.4085       154.0474 647.2982       178.6559 308.5634       304.1586 142.9964 22.00771 100.3176 37.86163 42.67879       43.79317 
1 1 1 -28 17 12 o 74.45776 26.97362 158.8996       151.6017 110.3073       175.6316 300.9243       300.2625 71.07017 28.22488 98.92427 37.55401 -27.85410      46.97816 
1 1 1 -28 17 13 o 63.62123 25.84956 71.98941       150.9217 -68.40781      174.2878 492.8252       301.7478 55.07145 24.96961 116.9826 38.22713 -61.91116      45.65955 
1 1 1 -28 17 14 o 62.14687 25.16427 71.03008       142.4619 58.30233       150.9723 174.4702       430.3939 61.97358 25.59161 96.28327 41.61687 -34.30970      48.85585 
1 1 1 -28 17 15 o 140.8958 45.45561 810.0589       427.4202 0.000000       0.000000 810.0589       427.4202 ?        ?        140.8958 45.45561 0.000000       45.45561 
1 1 1 -28 17 16 o 51.46626 22.97070 -32.34291      141.0974 -32.72065      153.3821 -30.26416      359.8193 53.64005 23.94477 79.16566 35.88739 -25.52562      43.14228 
1 1 1 -28 17 17 o 292.1777 18.12026 2656.159       308.9722 0.000000       0.000000 2656.159       308.9722 ?        ?        292.1777 18.12026 0.000000       18.12026 
1 1 1 -28 17 18 o 107.8655 22.71041 384.7080       139.1176 208.3278       160.3116 922.6122       279.9578 80.14589 27.86467 162.3963 30.51454 -82.25046      41.32284 
1 1 1 -28 17 19 o 209.3433 13.31851 1334.215       162.6700 1239.066       201.3892 1512.831       275.9268 199.1386 17.41888 216.3234 22.05731 -17.18478      28.10591 
1 1 1 -28 17 20 o 35.32701 17.39246 -244.6779      127.2010 -230.1227      146.1611 -290.1157      258.2451 39.83570 19.40617 55.33493 26.67728 -15.49923      32.98904 
1 1 1 -28 17 21 o 82.69100 26.48065 233.7738       145.2435 294.2686       174.8661 99.19148       260.8201 91.20065 29.03968 75.74341 32.56492 15.45724       43.63229 
1 1 1 -28 17 22 f 112.9904 23.35886 431.7672       149.6734 417.4110       187.3198 457.1175       248.9178 107.3832 29.04757 108.5052 34.65788 -1.121979      45.22091 
1 1 1 -28 17 23 o 76.60190 26.00459 198.9997       139.3774 139.9198       169.1261 324.0533       246.0589 70.55114 27.79818 92.96973 34.25598 -22.41859      44.11588 
1 1 1 -28 17 24 o 39.20193 18.99025 -186.7374      134.8012 -207.7076      163.6771 -142.5252      237.6607 43.59184 21.07060 57.67222 27.16933 -14.08038      34.38230 
1 1 1 -28 17 25 o 236.0757 11.93111 1700.602       164.6540 1595.691       211.3333 1862.659       262.6587 225.0875 16.11570 240.3608 18.78181 -15.27322      24.74817 
1 1 1 -28 17 26 o 135.0448 19.03781 597.3843       146.6019 542.4160       186.6519 685.8986       236.8552 122.6105 26.71407 134.2882 30.73956 -11.67763      40.72545 
1 1 1 -28 17 27 o 80.08044 25.95416 231.2523       139.2475 278.4158       174.2673 147.9594       231.5885 85.96721 29.07871 73.88876 31.18680 12.07845       42.64022 
1 1 1 -28 17 28 o 99.27751 24.85710 356.6917       144.3872 341.2723       181.7995 383.0335       237.6189 93.54426 29.58872 95.58249 33.87000 -2.038231      44.97410 
1 1 1 -28 17 29 o 120.8029 21.98097 505.3387       149.9957 681.1479       192.7793 235.6189       238.7788 137.9881 24.72982 80.22027 32.54356 57.76783       40.87355 
1 1 1 -28 17 30 o 67.98027 25.65969 154.3402       139.7111 171.4926       177.0514 126.0343       227.4440 71.65419 28.37651 70.37396 30.33475 1.280228       41.53821 
1 1 1 -28 17 31 o 64.82525 25.13753 133.7817       136.4966 -86.23421      169.2103 543.6667       230.9568 49.55780 23.21305 112.7420 32.89911 -63.18416      40.26409 
1 1 1 -28 17 32 o 45.50878 21.24654 -74.09177      139.8408 -177.0274      183.8596 67.17909       215.3921 46.80091 22.54958 64.28562 28.55564 -17.48471      36.38555 
1 1 1 -28 17 33 o 49.31981 22.36045 -19.30011      139.7418 28.58518       168.9360 -123.0658      248.6840 56.87147 25.27426 56.87324 27.08367 -0.1773834E-02 37.04475 
1 1 1 -28 17 34 o 120.9439 23.29992 531.2114       159.2741 454.5915       182.1877 779.6368       328.0549 105.9183 28.64501 120.9189 39.87735 -15.00058      49.09929 
1 1 1 -28 18 1  o 291.3520 14.51621 2549.558       247.2588 2617.691       310.4700 2431.404       408.8490 293.3009 18.13785 277.8828 25.36654 15.41815       31.18401 
1 1 1 -28 18 2  o 194.4901 18.49478 1157.897       208.4225 1172.919       243.6180 1116.882       402.5516 194.2280 21.76053 178.6344 39.47675 15.59367       45.07698 
1 1 1 -28 18 3  o 189.3877 18.46744 1098.608       202.5178 1188.306       235.3890 843.0344       397.3299 195.9444 20.80083 152.5594 42.72060 43.38506       47.51552 
1 1 1 -28 18 4  o 552.1176 26.56733 9630.402       857.7360 0.000000       0.000000 9630.402       857.7360 ?        ?        552.1176 26.56733 0.000000       26.56733 
1 1 1 -28 18 5  o 245.1597 28.23851 1933.863       398.6059 0.000000       0.000000 1933.863       398.6059 ?        ?        245.1597 28.23851 0.000000       28.23851 
1 1 1 -28 18 6  f 156.7787 21.42579 769.4479       191.8547 858.3029       229.7882 564.9638       348.5913 164.1472 24.62862 126.1297 41.07882 38.01752       47.89612 
1 1 1 -28 18 7  o 78.60303 28.93470 172.3382       175.4814 464.6416       204.8956 -632.1587      339.9209 117.8335 29.67167 57.28207 28.24567 60.55144       40.96616 
1 1 1 -28 18 8  o 47.40466 22.34589 -155.9815      161.2079 -185.7400      184.8537 -61.47209      329.4281 50.16060 23.73038 76.97007 34.66666 -26.80947      42.01081 
1 1 1 -28 18 9  f 202.8174 15.77588 1250.767       186.1756 1445.856       226.4648 844.0262       326.9967 217.0377 17.95202 154.5927 36.63117 62.44496       40.79360 
1 1 1 -28 18 10 o 53.44993 23.45364 -15.37895      141.1247 -10.65486      156.5027 -35.93569      326.4673 56.60147 24.77117 77.43983 34.72427 -20.83837      42.65425 
1 1 1 -28 18 11 o 128.8869 20.40207 525.3309       149.0888 499.5140       167.9995 621.0294       323.4514 123.9884 23.97067 129.8836 39.19601 -5.895195      45.94476 
1 1 1 -28 18 12 o 140.0660 47.22908 797.1601       459.7057 0.000000       0.000000 797.1601       459.7057 ?        ?        140.0660 47.22908 0.000000       47.22908 
1 1 1 -28 18 13 o 201.4644 14.73091 1235.889       172.8488 1320.116       211.1264 1064.675       301.0125 206.6594 17.58646 177.1043 30.05363 29.55502       34.82103 
1 1 1 -28 18 14 o 181.1933 14.74911 1002.598       155.3779 1044.493       184.1833 899.1894       289.3632 183.6165 17.30779 160.5944 31.84809 23.02211       36.24721 
1 1 1 -28 18 15 o 231.0737 14.58467 1628.233       196.6421 1768.673       220.1957 1075.114       436.9915 240.1308 15.72192 162.3907 44.54911 77.74013       47.24195 
1 1 1 -28 18 16 o 141.6069 20.85679 643.6488       168.0317 729.7263       184.0960 214.0054       411.2953 150.5585 21.45554 94.86883 40.84191 55.68967       46.13461 
1 1 1 -28 18 17 o 195.2868 13.82649 1163.465       157.3324 1072.715       189.9284 1361.920       280.8653 185.2121 17.70025 203.8976 23.94312 -18.68555      29.77536 
1 1 1 -28 18 18 o 128.4537 19.42282 528.3116       141.7578 359.0578       166.0560 983.0585       272.1889 101.6115 27.29012 168.8872 28.49325 -67.27576      39.45397 
1 1 1 -28 18 19 o 72.15749 24.64391 166.7218       125.2007 88.75574       144.1956 405.5526       252.3739 63.29618 25.42732 103.9828 34.99363 -40.68663      43.25625 
1 1 1 -28 18 20 o 223.0385 12.87476 1515.051       167.6949 1598.910       211.9413 1374.659       274.2289 226.8628 16.03276 204.0662 23.33243 22.79660       28.30992 
1 1 1 -28 18 21 o 50.34851 22.35526 -16.20976      131.8685 -51.81271      156.5553 70.74084       244.6590 51.79113 23.55424 71.77225 31.19797 -19.98112      39.09113 
1 1 1 -28 18 22 o 45.95576 21.22531 -73.61581      133.9038 -146.0956      162.3902 80.35674       236.6862 46.63438 22.11500 71.15852 30.80949 -24.52413      37.92490 
1 1 1 -28 18 23 o 128.4232 21.22131 548.6221       154.2554 617.8323       202.2150 452.2944       238.5635 131.8039 27.06661 106.7850 33.90919 25.01896       43.38703 
1 1 1 -28 18 24 o 70.21847 25.68158 158.6674       137.8873 246.3034       170.5037 -6.983659      234.4173 82.88858 28.74137 64.38169 29.09737 18.50689       40.89894 
1 1 1 -28 18 25 o 156.8463 16.70358 784.4967       151.2896 876.4991       192.1387 634.3907       245.4225 162.6192 20.60828 126.8776 32.75763 35.74162       38.70095 
1 1 1 -28 18 26 o 43.79111 20.65614 -109.7601      138.1623 -43.16859      169.0157 -243.8840      239.8670 53.24468 24.31469 52.81896 25.52499 0.4257202      35.25237 
1 1 1 -28 18 27 o 39.81319 19.26306 -176.9167      137.6417 -201.4083      169.8269 -130.0289      234.9785 44.32663 21.43477 56.70653 26.80559 -12.37989      34.32185 
1 1 1 -28 18 28 o 176.0315 15.03853 981.6632       153.7697 1041.757       197.6329 889.4766       244.7807 177.2390 19.32563 154.4460 28.05714 22.79305       34.06881 
1 1 1 -28 18 29 o 143.8479 18.39582 683.7242       151.6464 609.2289       193.6588 801.8143       243.8256 128.1907 26.63021 143.7334 29.89996 -15.54266      40.03967 
1 1 1 -28 18 30 o 118.7507 21.17997 487.1123       142.0959 721.1755       183.5877 137.3784       224.4119 143.5865 22.54295 70.75195 30.30894 72.83453       37.77322 
1 1 1 -28 18 31 o 90.49453 25.69362 310.9421       142.7007 400.8354       179.6600 157.2990       234.8791 99.85590 28.98132 72.16913 30.96363 27.68677       42.41065 
1 1 1 -28 18 32 o 93.22434 26.95913 339.3936       155.7199 314.3016       204.7719 373.8024       239.7940 86.20713 31.33186 91.01881 33.76643 -4.811676      46.06362 
1 1 1 -28 18 33 o 61.70566 28.06229 26.00717       222.1912 83.21852       349.6208 -12.75536      287.7810 72.49581 33.76207 64.80568 30.32851 7.690132       45.38387 
1 1 1 -28 19 1  o 61.56663 26.53188 10.76595       173.9103 -28.57967      197.0651 149.3013       369.7787 62.04135 27.44885 93.00826 39.33978 -30.96691      47.96934 
1 1 1 -28 19 2  o 125.3769 25.98321 512.8196       184.7733 437.4242       198.4108 1005.405       507.1464 114.2761 29.42759 159.6339 49.25968 -45.35772      57.38031 
1 1 1 -28 19 3  o 144.5168 23.48202 666.0972       192.1977 612.4948       204.0959 1086.030       571.2576 137.0906 26.34192 162.7198 52.55508 -25.62921      58.78718 
1 1 1 -28 19 4  o 312.4820 13.15823 2928.642       240.6024 3131.816       307.5658 2608.224       386.2445 321.2099 16.38080 288.3068 23.03464 32.90305       28.26527 
1 1 1 -28 19 5  o 150.6903 20.06405 709.4209       172.9164 669.5146       195.9095 850.1208       367.8597 144.5078 23.95450 152.5254 40.46291 -8.017609      47.02197 
1 1 1 -28 19 6  o 130.8149 21.52266 542.7485       159.3840 633.7085       179.1800 197.9846       348.8393 141.1543 22.39098 94.00437 38.86772 47.14991       44.85594 
1 1 1 -28 19 7  o 206.0751 16.06005 1294.499       192.5673 1493.329       230.8912 840.1754       349.0192 220.3612 18.02308 152.0036 38.97111 68.35759       42.93692 
1 1 1 -28 19 8  o 177.1887 17.17852 965.2956       176.2769 1015.674       207.5692 834.9673       333.8576 180.3782 19.95459 152.1498 37.62708 28.22842       42.59088 
1 1 1 -28 19 9  o 73.51400 27.21201 150.9797       155.5795 182.2016       176.6490 43.01685       328.4872 79.09572 29.04521 81.63086 35.80189 -2.535141      46.10206 
1 1 1 -28 19 10 o 132.8413 19.94608 557.5211       150.6014 660.3218       172.0198 220.0980       311.6505 144.2728 20.94156 91.82098 37.20498 52.45185       42.69379 
1 1 1 -28 19 11 o 64.26260 24.75551 100.9569       131.7395 155.2757       147.1050 -119.0685      296.0664 73.02645 26.55395 68.86408 31.71791 4.162369       41.36591 
1 1 1 -28 19 12 o 121.7806 21.27805 477.0741       146.4424 485.2339       170.6187 454.2453       285.3828 121.0063 24.87362 111.4794 37.20778 9.526855       44.75618 
1 1 1 -28 19 13 o 190.5242 14.41865 1107.152       159.9151 1242.726       192.1195 801.3386       288.5431 200.7640 16.46123 149.5598 33.70582 51.20424       37.51072 
1 1 1 -28 19 14 o 101.5759 42.36332 316.3324       419.5094 0.000000       0.000000 316.3324       419.5094 ?        ?        101.5759 42.36332 0.000000       42.36332 
1 1 1 -28 19 15 o 217.9861 13.83424 1447.193       175.9495 1379.974       219.9536 1566.643       293.2097 210.1615 18.01918 219.8421 23.08538 -9.680618      29.28525 
1 1 1 -28 19 16 o 124.3395 20.17364 497.7933       142.0734 443.6299       165.3163 650.8151       277.8684 114.4464 25.30307 131.6284 35.27981 -17.18203      43.41555 
1 1 1 -28 19 17 o 135.1415 20.69000 590.3654       158.7724 631.4929       178.6523 435.8070       346.3289 138.5550 22.77618 106.5251 40.35680 32.02991       46.34032 
1 1 1 -28 19 18 o 61.23213 24.47743 83.32709       132.9435 2.061859       154.2176 318.4330       262.3091 56.02720 24.55291 94.71667 35.28204 -38.68947      42.98450 
1 1 1 -28 19 19 o 52.79583 23.10500 0.9871109      136.1487 -6.032529      162.1842 17.73937       250.5462 56.38272 24.92542 69.18702 30.76158 -12.80430      39.59231 
1 1 1 -28 19 20 o 126.8206 19.06113 519.0675       137.3900 489.8904       164.8266 585.4883       248.6900 119.8874 24.27603 123.8288 33.45788 -3.941383      41.33709 
1 1 1 -28 19 21 o 184.3594 14.13688 1050.585       151.6852 1120.807       193.3140 938.0845       244.6814 187.7346 17.76921 164.4710 26.24831 23.26366       31.69730 
1 1 1 -28 19 22 o 80.83521 25.20969 228.1427       132.4300 212.3759       166.3507 255.4261       218.8277 78.73106 28.29029 84.97279 32.10461 -6.241722      42.79072 
1 1 1 -28 19 23 o 113.1539 22.86043 437.7484       146.4789 636.2155       188.4530 134.8476       232.8140 135.5556 24.61090 74.19366 31.28989 61.36193       39.80896 
1 1 1 -28 19 24 o 43.43843 20.55027 -119.7569      138.6311 -30.56376      170.5108 -293.6892      238.1094 54.62738 24.74005 51.05495 24.84866 3.572433       35.06459 
1 1 1 -28 19 25 o 45.61908 21.40295 -100.3256      144.8485 -184.1071      180.0654 53.29740       243.8284 46.99023 22.55690 68.22152 30.33851 -21.23129      37.80527 
1 1 1 -28 19 26 o 57.24104 24.37385 51.66960       143.5700 118.3435       175.1440 -84.89938      250.6649 67.03356 27.61094 60.66584 28.36314 6.367725       39.58323 
1 1 1 -28 19 27 o 81.82179 26.97036 249.2529       150.0672 285.2122       188.5334 187.0779       247.9082 85.58723 30.18406 76.86343 32.34483 8.723793       44.24099 
1 1 1 -28 19 28 o 100.3272 24.00207 363.2414       139.3300 432.3573       178.2065 254.5525       223.4742 105.9181 28.19251 81.48288 31.99993 24.43523       42.64754 
1 1 1 -28 19 29 o 124.8296 20.44115 531.1755       144.4740 508.9108       184.1378 566.8306       233.0204 115.6036 27.55160 116.0180 32.79653 -0.4143753     42.83344 
1 1 1 -28 19 30 o 46.58194 21.51195 -54.20704      137.4852 28.59008       173.0190 -196.0534      226.4619 57.67331 25.60723 51.74246 24.95444 5.930851       35.75547 
1 1 1 -28 19 31 o 130.8199 22.07726 602.2841       163.3604 635.2756       181.0774 458.0081       378.6700 132.2221 24.24441 92.98602 39.58902 39.23604       46.42286 
1 1 1 -28 19 32 o 51.46350 23.31236 -12.97208      151.5007 354.4247       376.9877 -83.73532      165.4487 86.45515 38.11999 48.76327 22.87690 37.69188       44.45769 
1 1 1 -28 20 1  o 73.23703 27.78297 140.6778       164.2711 89.87376       186.8399 313.6864       344.7897 70.24077 28.67805 101.8550 39.82242 -31.61421      49.07398 
1 1 1 -28 20 2  o 331.3379 20.76253 3416.472       401.4332 0.000000       0.000000 3416.472       401.4332 ?        ?        331.3379 20.76253 0.000000       20.76253 
1 1 1 -28 20 3  o 94.47562 26.91808 296.2183       156.3527 218.0203       166.4020 885.6003       456.8347 83.26167 28.41152 149.2530 46.86321 -65.99133      54.80305 
1 1 1 -28 20 4  o 120.5214 21.60703 464.3092       147.1145 457.9128       163.3011 491.8611       338.9178 118.4564 24.32118 116.7835 40.52022 1.672874       47.25895 
1 1 1 -28 20 5  o 190.6044 16.51402 1113.264       182.7823 1019.791       195.7016 1751.925       511.5482 181.2930 18.67291 217.9118 41.54315 -36.61882      45.54680 
1 1 1 -28 20 6  o 286.1927 12.92728 2464.052       216.4182 2542.771       265.1568 2306.969       374.5660 289.0178 15.70225 268.7701 24.01552 20.24768       28.69331 
1 1 1 -28 20 7  o 113.9002 23.75528 424.4356       153.5404 447.2154       171.1974 330.7776       347.1326 116.0029 25.82766 102.1666 39.95363 13.83629       47.57479 
1 1 1 -28 20 8  o 72.23905 25.54974 155.8900       135.1611 209.1540       150.1821 -71.13280      310.0531 80.82863 26.99191 72.93280 33.16087 7.895828       42.75753 
1 1 1 -28 20 9  o 152.2518 18.60180 725.3637       162.6541 793.1650       188.0544 523.9987       324.0831 158.1145 20.78234 118.2386 39.65356 39.87596       44.76953 
1 1 1 -28 20 10 o 56.42016 24.34388 11.62547       146.7590 61.92927       167.6505 -153.3217      303.5825 64.34511 26.80393 67.81429 31.54094 -3.469177      41.39181 
1 1 1 -28 20 11 o 181.9696 15.00752 1013.680       158.7391 1126.933       185.6195 705.3835       306.2554 190.9660 16.74282 137.3015 37.14193 53.66449       40.74120 
1 1 1 -28 20 12 o 310.7155 19.24488 3022.241       348.9730 0.000000       0.000000 3022.241       348.9730 ?        ?        310.7155 19.24488 0.000000       19.24488 
1 1 1 -28 20 13 o 81.61650 25.34336 221.5172       133.9966 175.3059       152.2485 380.3317       282.2434 75.41527 27.06880 102.5759 36.85100 -27.16064      45.72435 
1 1 1 -28 20 14 o 183.9550 14.97956 1039.873       160.2097 1126.172       197.5261 873.9437       273.8940 189.6223 17.97638 157.6640 30.72568 31.95834       35.59800 
1 1 1 -28 20 15 o 131.3488 46.40698 766.2243       445.8136 0.000000       0.000000 766.2243       445.8136 ?        ?        131.3488 46.40698 0.000000       46.40698 
1 1 1 -28 20 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -28 20 17 o 209.3848 14.07486 1344.015       171.8342 1362.085       216.7873 1313.474       281.8383 208.0221 17.94470 198.3804 24.76196 9.641617       30.58050 
1 1 1 -28 20 18 o 97.74559 23.89676 325.9947       135.8228 442.1909       160.0466 26.91016       256.7719 113.7405 24.70167 70.29079 31.20317 43.44975       39.79711 
1 1 1 -28 20 19 o 52.58910 22.68414 16.65538       127.3556 99.29786       150.4135 -192.6289      239.3609 64.58660 25.96142 56.16949 26.69805 8.417110       37.23951 
1 1 1 -28 20 20 o 76.85630 26.13777 200.9376       140.8156 122.7426       175.8151 340.8532       235.1796 69.21039 27.98017 94.67874 33.68105 -25.46835      43.78702 
1 1 1 -28 20 21 o 86.17580 24.56831 260.0664       130.2077 326.0350       161.8266 138.9427       219.2785 94.80936 27.50205 73.88953 30.70683 20.91984       41.22223 
1 1 1 -28 20 22 o 65.90116 25.45850 125.1250       139.6116 31.98946       178.7799 270.6915       223.5073 60.74116 26.53157 86.21299 32.47403 -25.47183      41.93431 
1 1 1 -28 20 23 o 56.38124 23.68492 52.39988       132.5716 51.79393       162.1632 53.62095       230.1986 60.12889 25.76155 67.49295 29.77235 -7.364056      39.37068 
1 1 1 -28 20 24 o 161.2089 17.38553 836.5987       161.7756 865.3332       206.6701 791.1352       259.9604 159.1834 22.78673 142.7839 31.85414 16.39949       39.16531 
1 1 1 -28 20 25 o 54.36084 23.75308 21.13877       143.4059 57.38963       173.8966 -55.91825      253.5350 61.35008 26.48526 62.44040 28.96700 -1.090317      39.24992 
1 1 1 -28 20 26 o 64.10519 25.82867 113.3932       149.2573 57.57845       189.3977 204.8639       242.4605 62.65889 27.33981 78.15806 32.36800 -15.49916      42.36924 
1 1 1 -28 20 27 o 46.14164 21.40862 -68.21887      138.5569 -199.2439      172.7043 168.4429       232.1080 44.61661 21.58481 74.21714 31.26794 -29.60053      37.99458 
1 1 1 -28 20 28 o 57.01284 24.02063 63.53851       136.9894 37.59167       172.0495 108.4785       226.4266 58.69506 25.82092 68.94378 29.99026 -10.24872      39.57444 
1 1 1 -28 20 29 o 171.7728 16.02905 952.0294       159.6135 644.0677       192.0686 1639.421       286.9525 132.0869 25.71933 215.9652 23.00951 -83.87828      34.50973 
1 1 1 -28 20 30 o 121.1892 31.90039 616.1740       229.7849 -45.94296      397.2541 949.1005       281.6924 70.82793 33.86704 150.8935 32.77162 -80.06557      47.12701 
1 1 1 -28 20 31 o 113.6381 24.52579 476.1802       158.6555 246.9869       407.9048 517.0340       172.2162 81.78009 37.50603 117.3181 25.73879 -35.53798      45.48833 
1 1 1 -28 20 32 o 66.94926 26.22823 153.3811       149.8191 224.6236       415.8363 142.7541       160.6049 79.82098 37.05331 66.24222 26.75599 13.57876       45.70373 
1 1 1 -28 21 1  o 167.0424 35.72918 997.3735       339.4350 0.000000       0.000000 997.3735       339.4350 ?        ?        167.0424 35.72918 0.000000       35.72918 
1 1 1 -28 21 2  o 45.91978 21.36748 -105.0304      139.5781 -222.9563      154.1622 431.2623       328.7564 42.19493 20.40840 109.9590 39.73693 -67.76408      44.67131 
1 1 1 -28 21 3  o 300.4645 32.79029 3098.121       568.4483 0.000000       0.000000 3098.121       568.4483 ?        ?        300.4645 32.79029 0.000000       32.79029 
1 1 1 -28 21 4  o 477.6734 27.56758 7489.320       769.0089 0.000000       0.000000 7489.320       769.0089 ?        ?        477.6734 27.56758 0.000000       27.56758 
1 1 1 -28 21 5  o 164.5737 17.69267 841.0450       168.0884 702.3063       180.9416 1714.818       454.0867 148.3475 21.41666 218.6373 36.71306 -70.28979      42.50320 
1 1 1 -28 21 6  o 97.72921 25.86090 320.7786       150.5048 272.1650       167.9279 519.2579       339.3142 90.06408 28.43102 117.3582 40.55283 -27.29410      49.52630 
1 1 1 -28 21 7  o 174.5299 16.36792 939.0656       165.5832 1094.687       188.4384 411.7303       346.8790 188.0283 17.28131 107.5028 40.46381 80.52558       43.99958 
1 1 1 -28 21 8  o 261.1118 23.38467 2193.227       354.3158 0.000000       0.000000 2193.227       354.3158 ?        ?        261.1118 23.38467 0.000000       23.38467 
1 1 1 -28 21 9  o 113.9903 22.36739 424.5285       144.1890 405.5135       162.4262 495.2271       313.1939 109.7048 25.69850 114.4859 38.97995 -4.781082      46.68886 
1 1 1 -28 21 10 o 68.11519 26.06491 122.6810       145.3767 53.82742       166.3682 345.0486       298.9805 63.09740 26.52112 99.82706 37.56816 -36.72965      45.98626 
1 1 1 -28 21 11 o 173.9060 33.57600 1084.977       330.0462 0.000000       0.000000 1084.977       330.0462 ?        ?        173.9060 33.57600 0.000000       33.57600 
1 1 1 -28 21 12 o 139.4832 19.38369 619.3445       154.2867 567.3395       174.5603 805.0299       329.8463 131.0226 23.58404 144.2849 38.33300 -13.26230      45.00695 
1 1 1 -28 21 13 o 188.1023 14.63708 1085.857       160.2026 1112.283       184.6582 1005.439       322.1268 189.0601 16.82971 165.7435 34.27146 23.31659       38.18078 
1 1 1 -28 21 14 o 129.0675 19.80313 535.2468       145.1213 594.6913       171.2776 383.9731       273.2288 134.5603 22.49728 101.8166 36.29470 32.74377       42.70168 
1 1 1 -28 21 15 o 237.7018 12.59193 1714.907       174.9134 1721.652       222.1632 1703.909       283.6992 235.6106 16.17596 229.9201 21.28071 5.690521       26.73070 
1 1 1 -28 21 16 o 293.9025 11.94760 2614.405       205.5078 2627.474       280.2307 2599.197       302.2845 290.5683 16.51232 287.4230 18.02335 3.145355       24.44377 
1 1 1 -28 21 17 o 87.76264 26.23044 268.5710       145.3747 213.8932       161.4180 503.3451       334.4809 79.75484 27.94516 110.1525 40.04258 -30.39771      48.82970 
1 1 1 -28 21 18 o 207.1026 32.01040 1574.456       376.2762 0.000000       0.000000 1574.456       376.2762 ?        ?        207.1026 32.01040 0.000000       32.01040 
1 1 1 -28 21 19 o 123.9703 21.09730 509.8732       147.9001 484.6238       164.6776 615.1917       336.3266 118.4665 24.51105 118.2065 40.39071 0.2599487      47.24618 
1 1 1 -28 21 20 f 67.04898 25.12547 136.2064       133.4261 285.6092       165.9688 -136.7807      224.3459 88.65107 28.29830 56.25080 26.46795 32.40026       38.74722 
1 1 1 -28 21 21 o 46.67796 21.35046 -52.83362      131.0096 3.337086       161.8748 -159.4810      223.0485 56.15622 24.85977 54.77393 25.95836 1.382290       35.94224 
1 1 1 -28 21 22 o 182.3425 14.22599 1035.381       150.9290 1103.778       191.8251 924.2302       244.5377 185.2596 17.87704 161.0672 26.83079 24.19241       32.24096 
1 1 1 -28 21 23 o 131.6721 20.35736 578.6579       152.1387 783.4387       193.9394 251.0080       245.3164 151.6122 22.49219 83.42921 33.28383 68.18297       40.17103 
1 1 1 -28 21 24 o 56.73460 24.30227 45.32531       144.2567 67.56825       179.9310 5.301942       241.3607 62.85772 27.03665 64.59675 29.32625 -1.739029      39.88746 
1 1 1 -28 21 25 o 49.04631 22.27072 -32.45495      139.2751 33.20876       170.8390 -162.5799      240.4942 58.70118 25.77991 55.68488 26.55026 3.016300       37.00702 
1 1 1 -28 21 26 o 105.8557 24.79995 407.4018       151.2509 382.7692       198.9953 441.1003       232.7519 97.01838 30.98805 101.4615 33.59448 -4.443123      45.70392 
1 1 1 -28 21 27 o 98.78815 25.38714 361.5214       147.8738 387.3395       189.3864 321.1978       236.6831 98.05164 30.07448 87.67905 33.32853 10.37260       44.89170 
1 1 1 -28 21 28 o 120.8577 24.11886 527.6837       164.9613 644.1480       204.7639 312.3231       278.4455 130.0014 27.70469 85.60280 34.98685 44.39861       44.62767 
1 1 1 -28 21 29 o 240.1546 13.76256 1816.019       193.0271 0.000000       0.000000 1816.019       193.0271 ?        ?        240.1546 13.76256 0.000000       13.76256 
1 1 1 -28 21 30 o 66.52660 26.95212 138.8562       163.5239 -128.7969      404.6879 191.0852       178.7681 68.42860 33.08932 72.73763 28.60402 -4.309021      43.73892 
1 1 1 -28 21 31 o 52.37754 23.52978 2.579706       150.6701 213.6406       430.2169 -26.92666      160.8576 79.94170 37.30363 51.56946 23.61418 28.37223       44.14964 
1 1 1 -28 22 1  o 79.13771 28.23232 193.9741       165.3545 292.2033       191.6095 -92.59984      327.2766 92.79369 30.47009 73.21358 33.58397 19.58011       45.34655 
1 1 1 -28 22 2  o 183.1278 16.86840 1036.664       179.1324 1115.382       209.5118 822.7220       345.3962 188.6058 19.20879 147.0186 39.30215 41.58719       43.74513 
1 1 1 -28 22 3  o 245.2411 14.81170 1833.490       212.0409 1806.769       234.7596 1951.847       494.0769 242.2533 16.62431 231.1427 37.74889 11.11066       41.24738 
1 1 1 -28 22 4  o 330.0450 12.62948 3283.799       244.0097 3138.273       304.0396 3547.169       409.0192 319.7849 16.26486 335.2530 20.90680 -15.46805      26.48849 
1 1 1 -28 22 5  o 212.6870 14.11036 1376.587       175.0117 1276.412       202.6449 1670.599       347.1674 203.0005 17.18235 224.2905 26.93028 -21.28999      31.94485 
1 1 1 -28 22 6  o 182.6308 15.62907 1025.632       165.7933 973.0349       190.8339 1187.528       334.8060 176.0817 18.76847 184.0802 32.18357 -7.998428      37.25638 
1 1 1 -28 22 7  o 71.92130 25.51103 157.5137       134.8341 189.8481       149.5190 16.73508       311.9842 77.39256 26.91019 76.82333 34.23119 0.5692215      43.54231 
1 1 1 -28 22 8  o 129.9100 21.35207 545.6487       157.0328 714.4982       180.1228 10.80499       320.5769 149.0852 21.19743 77.11261 34.50612 71.97256       40.49696 
1 1 1 -28 22 9  o 141.1913 17.80357 626.3991       144.1521 561.6257       163.6089 851.1768       304.7790 131.3483 22.01734 152.0980 34.90798 -20.74969      41.27143 
1 1 1 -28 22 10 o 139.6478 18.91284 618.7855       150.9187 617.0799       174.9482 623.7468       298.3733 137.4000 22.48783 127.1750 37.47145 10.22500       43.70140 
1 1 1 -28 22 11 o 110.6262 21.78791 401.8970       136.3271 410.4366       151.9372 366.6274       308.7791 110.5845 24.10873 100.7515 38.12063 9.833054       45.10448 
1 1 1 -28 22 12 o 56.70679 23.91425 38.02059       135.9846 104.7740       152.1141 -227.6180      303.4437 66.17693 26.27190 63.47323 30.13810 2.703697       39.98148 
1 1 1 -28 22 13 o 163.6866 16.01243 833.1993       151.7527 954.2554       174.9624 465.5606       304.9032 174.4375 17.33128 109.0722 38.39217 65.36526       42.12282 
1 1 1 -28 22 14 o 55.91244 23.49094 40.96088       130.4347 24.84553       146.4781 102.6753       286.6460 56.75891 24.40354 78.15544 33.87207 -21.39653      41.74745 
1 1 1 -28 22 15 o 155.2346 16.43866 755.5208       147.3884 593.8727       174.8258 1152.722       274.0473 133.3048 23.20441 183.8517 26.15276 -50.54686      34.96301 
1 1 1 -28 22 16 o 42.74354 20.18973 -120.1843      132.8292 -170.2163      159.9363 -8.951497      238.4731 45.05178 21.52752 65.71977 29.55633 -20.66799      36.56516 
1 1 1 -28 22 17 o 74.75677 26.04076 186.2419       140.0464 93.53513       175.9875 346.3194       231.2551 66.40248 27.54482 95.49230 33.44928 -29.08982      43.33096 
1 1 1 -28 22 18 o 48.77938 22.09015 -39.81997      135.9142 -26.14296      151.4247 -96.50941      308.2848 52.49611 23.58538 67.62335 31.56288 -15.12724      39.40159 
1 1 1 -28 22 19 o 124.9910 19.56401 511.8253       138.7123 558.7557       177.2582 437.6843       222.7967 126.9755 24.69258 105.8919 32.64508 21.08361       40.93196 
1 1 1 -28 22 20 o 94.83940 38.42070 360.5516       332.2780 0.000000       0.000000 360.5516       332.2780 ?        ?        94.83940 38.42070 0.000000       38.42070 
1 1 1 -28 22 21 o 106.1157 22.49083 387.0016       135.6172 399.7432       163.1828 358.5504       243.8456 104.9768 26.50493 94.59196 34.21740 10.38483       43.28212 
1 1 1 -28 22 22 o 46.71115 21.56857 -65.60007      138.1391 -51.18525      169.3041 -94.30855      238.9285 52.74895 24.18115 59.26231 27.70180 -6.513363      36.77115 
1 1 1 -28 22 23 o 101.5935 25.29667 374.2129       150.1419 459.3651       192.9773 243.6105       238.9924 109.1407 29.46584 81.96124 32.80032 27.17946       44.09192 
1 1 1 -28 22 24 o 69.22422 25.31324 161.7563       133.9510 81.83183       162.7550 329.5563       235.8253 62.07351 26.16918 89.60197 33.43842 -27.52845      42.46120 
1 1 1 -28 22 25 o 106.1270 24.21082 405.5937       147.3475 465.4413       190.6954 316.9204       232.1204 109.1691 29.21156 87.83451 33.09187 21.33457       44.14053 
1 1 1 -28 22 26 o 46.12926 21.71666 -100.9500      151.3779 -224.8099      167.0181 469.0129       358.2791 42.51107 20.71730 96.96040 39.66458 -54.44933      44.74914 
1 1 1 -28 22 27 o 64.82672 27.22526 108.5350       175.0914 0.000000       0.000000 108.5350       175.0914 ?        ?        64.82672 27.22526 0.000000       27.22526 
1 1 1 -28 22 28 o 168.9561 18.17438 946.8822       177.2591 0.000000       0.000000 946.8822       177.2591 ?        ?        168.9561 18.17438 0.000000       18.17438 
1 1 1 -28 22 29 o 77.01071 29.00124 228.6404       178.2371 0.000000       0.000000 228.6404       178.2371 ?        ?        77.01071 29.00124 0.000000       29.00124 
1 1 1 -28 22 30 o 61.49429 26.00990 93.34062       161.6383 180.4156       473.6680 81.86430       171.9605 79.84154 37.83534 61.33052 26.40597 18.51102       46.13879 
1 1 1 -28 23 1  o 125.4900 22.42862 513.8633       159.0089 616.7855       181.3365 171.4181       330.7702 137.1789 23.37707 87.76634 37.16868 49.41255       43.90897 
1 1 1 -28 23 2  o 144.7550 19.23618 663.6403       159.2677 725.8293       180.4652 444.5881       338.6960 150.4407 21.02758 108.9645 40.18323 41.47614       45.35252 
1 1 1 -28 23 3  o 64.95020 26.19311 88.63504       153.6527 73.60891       163.3501 204.0355       452.6888 64.56911 26.63745 96.39510 42.15932 -31.82598      49.86945 
1 1 1 -28 23 4  o 163.5780 16.98813 832.7568       160.6044 626.6566       179.2706 1670.706       361.4755 138.4769 22.87177 222.0775 28.40317 -83.60060      36.46722 
1 1 1 -28 23 5  o 76.64465 26.27792 188.1443       142.3852 102.2994       156.7566 592.9701       340.4103 66.74911 26.61388 122.1790 40.63343 -55.42987      48.57339 
1 1 1 -28 23 6  o 117.3056 22.23973 451.2039       147.4048 387.6334       163.3472 730.0168       342.0898 106.4561 26.31495 135.5345 40.17152 -29.07832      48.02320 
1 1 1 -28 23 7  o 234.7061 13.47819 1675.277       184.7466 1787.388       224.6277 1440.903       324.7852 240.7183 16.00208 206.4695 27.50553 34.24876       31.82171 
1 1 1 -28 23 8  o 143.0641 18.40255 647.0555       150.8321 667.4069       170.5456 573.9745       323.1801 143.9398 20.80561 120.2845 39.57581 23.65532       44.71150 
1 1 1 -28 23 9  o 44.48526 20.79082 -104.0708      134.4904 -45.27376      151.6640 -320.4799      290.9662 51.93586 23.44486 58.58184 28.26117 -6.645985      36.71996 
1 1 1 -28 23 10 o 157.2587 16.72011 772.6165       151.8459 786.8475       174.4787 728.1885       308.2848 157.1397 19.33991 136.8329 37.36945 20.30679       42.07741 
1 1 1 -28 23 11 o 37.34677 18.05708 -171.5591      120.4183 -138.1452      131.7574 -341.0050      296.7064 41.66737 19.80587 58.27688 28.21704 -16.60950      34.47424 
1 1 1 -28 23 12 o 147.8659 17.78493 691.9077       151.1382 820.9527       174.9879 312.9237       299.8802 160.4365 18.96361 94.54462 37.08702 65.89189       41.65411 
1 1 1 -28 23 13 o 144.4076 16.77225 656.3729       139.4075 737.5643       159.3363 391.3387       287.8794 152.2823 18.20081 100.9107 37.07489 51.37161       41.30154 
1 1 1 -28 23 14 o 72.96359 25.35751 173.7378       132.7544 53.80252       151.8025 563.7016       273.7271 59.98659 25.28047 118.9452 36.09220 -58.95858      44.06528 
1 1 1 -28 23 15 o 63.02554 24.48986 105.7992       129.7577 107.7943       152.9921 100.6858       244.9264 65.62184 26.24951 73.45695 31.56916 -7.835114      41.05665 
1 1 1 -28 23 16 o 96.58802 22.96702 319.5172       128.1871 342.9545       152.3156 262.6151       237.3311 98.34093 26.01285 86.47440 33.24911 11.86652       42.21577 
1 1 1 -28 23 17 o 138.0824 20.38410 627.0936       160.1175 540.7149       180.3997 947.7426       347.5741 124.2853 25.60199 150.0132 39.11097 -25.72784      46.74537 
1 1 1 -28 23 18 o 137.8005 18.52800 614.9972       145.9464 475.6658       182.7300 860.4759       242.5450 114.5366 27.54236 155.1839 27.66453 -40.64729      39.03726 
1 1 1 -28 23 19 o 102.7305 22.18539 361.0333       129.7487 347.7180       154.2624 393.2301       239.8784 98.09038 26.28496 98.82974 34.09938 -0.7393646     43.05424 
1 1 1 -28 23 20 o 101.7028 23.61309 362.2422       138.1317 248.4024       168.8766 592.3646       240.1053 82.51848 28.60439 122.0173 32.83519 -39.49877      43.54722 
1 1 1 -28 23 21 o 209.8539 13.67371 1368.497       167.3719 1589.348       218.0687 1051.885       261.0999 223.0947 16.79006 170.9194 26.93834 52.17531       31.74240 
1 1 1 -28 23 22 o 136.7465 18.23550 612.0370       142.6040 687.1149       175.8851 467.9969       243.6210 141.9953 21.81743 105.0971 34.34877 36.89826       40.69199 
1 1 1 -28 23 23 o 72.88138 26.27281 186.3707       143.6053 237.3405       177.2780 89.08960       244.9134 79.82967 29.13176 69.62219 30.71048 10.20747       42.32958 
1 1 1 -28 23 24 o 164.5146 16.12860 868.7112       153.6175 750.2908       191.8062 1080.558       256.5429 146.5533 23.07843 172.5070 26.17834 -25.95374      34.89870 
1 1 1 -28 23 25 o 62.22522 29.08036 -58.74731      263.0613 0.000000       0.000000 -58.74731      263.0613 ?        ?        62.22522 29.08036 0.000000       29.08036 
1 1 1 -28 23 26 o 91.54219 26.60572 320.8272       151.3177 0.000000       0.000000 320.8272       151.3177 ?        ?        91.54219 26.60572 0.000000       26.60572 
1 1 1 -28 23 27 o 57.10152 24.99864 41.30888       159.5119 0.000000       0.000000 41.30888       159.5119 ?        ?        57.10152 24.99864 0.000000       24.99864 
1 1 1 -28 23 28 o 133.2417 23.73914 639.6337       178.7024 0.000000       0.000000 639.6337       178.7024 ?        ?        133.2417 23.73914 0.000000       23.73914 
1 1 1 -28 23 29 o 190.3179 16.77312 1186.208       185.3027 0.000000       0.000000 1186.208       185.3027 ?        ?        190.3179 16.77312 0.000000       16.77312 
1 1 1 -28 24 1  o 116.2060 22.47178 444.4068       147.6099 446.3954       166.2184 436.9868       321.0656 114.8661 25.35361 107.4475 39.20540 7.418541       46.68907 
1 1 1 -28 24 2  o 83.27835 25.17781 233.0291       133.3759 204.1492       145.6128 383.5136       332.3899 78.94697 26.58077 102.7924 39.39289 -23.84542      47.52196 
1 1 1 -28 24 3  o 150.7240 18.15402 715.8914       157.2469 699.1476       168.0061 834.1994       446.5867 147.9505 19.86378 137.3825 46.54951 10.56796       50.61054 
1 1 1 -28 24 4  o 222.9349 27.24765 1678.301       348.8570 0.000000       0.000000 1678.301       348.8570 ?        ?        222.9349 27.24765 0.000000       27.24765 
1 1 1 -28 24 5  o 96.76795 24.88963 318.4500       142.0503 311.3994       156.1808 352.2094       341.7548 94.92966 26.85512 100.0090 39.48135 -5.079391      47.74908 
1 1 1 -28 24 6  o 211.8597 28.05809 1534.079       340.0612 0.000000       0.000000 1534.079       340.0612 ?        ?        211.8597 28.05809 0.000000       28.05809 
1 1 1 -28 24 7  o 125.8046 20.61947 513.3447       146.8676 617.5905       168.1435 177.8403       301.6475 137.6496 21.53358 84.87994 35.69615 52.76962       41.68825 
1 1 1 -28 24 8  f 81.83173 25.90135 226.9013       139.2900 227.4508       156.3881 224.7923       306.3659 82.07171 27.54607 88.27142 36.45405 -6.199707      45.69118 
1 1 1 -28 24 9  o 193.4176 26.88288 1276.672       296.7142 0.000000       0.000000 1276.672       296.7142 ?        ?        193.4176 26.88288 0.000000       26.88288 
1 1 1 -28 24 10 o 56.80765 23.97174 41.03200       136.7770 -29.70757      155.3004 285.6393       288.7859 53.40211 23.94736 91.68762 36.26268 -38.28551      43.45640 
1 1 1 -28 24 11 o 93.23486 24.93297 300.6510       138.9758 241.0844       160.3134 480.8057       278.7988 83.49529 27.88759 109.9315 36.77769 -26.43623      46.15536 
1 1 1 -28 24 12 o 118.0481 36.94113 564.3607       284.1075 0.000000       0.000000 564.3607       284.1075 ?        ?        118.0481 36.94113 0.000000       36.94113 
1 1 1 -28 24 13 o 119.9506 20.80828 474.9840       141.0779 332.4999       164.9927 862.4159       272.0691 96.13093 27.73528 152.8524 31.40108 -56.72152      41.89598 
1 1 1 -28 24 14 o 139.2333 17.78618 620.2244       141.9249 723.3398       168.4398 367.8308       263.5252 149.1218 19.74458 97.15133 35.50797 51.97048       40.62836 
1 1 1 -28 24 15 o 74.63075 25.85791 187.3506       137.9965 177.8263       150.5638 237.3643       345.0248 73.75350 26.85746 87.92986 37.62259 -14.17635      46.22534 
1 1 1 -28 24 16 o 51.98320 22.66666 10.05330       129.9994 30.60041       155.1347 -38.39753      238.2233 57.66505 24.95524 63.09547 28.83352 -5.430416      38.13313 
1 1 1 -28 24 17 o 106.7333 21.46276 384.9485       129.6877 196.8042       153.1286 862.2682       243.9021 75.92323 27.15923 154.8570 27.88074 -78.93377      38.92248 
1 1 1 -28 24 18 o 84.30542 25.95936 255.1522       140.9344 342.8006       171.9183 75.55432       246.0938 95.81961 28.49739 70.38638 30.92553 25.43323       42.05342 
1 1 1 -28 24 19 o 115.6743 22.44437 459.6201       146.7693 452.3212       183.2837 472.6660       245.0388 110.0242 28.25810 106.6232 34.41899 3.401047       44.53299 
1 1 1 -28 24 20 o 99.68156 25.00271 358.0440       145.8962 310.8729       186.2741 432.9058       234.6629 89.72379 30.06250 102.0844 33.72943 -12.36059      45.18217 
1 1 1 -28 24 21 f 57.73750 23.75718 73.35734       129.4878 83.92583       152.7690 46.39101       244.0279 61.45004 25.59141 67.14590 30.07159 -5.695858      39.48697 
1 1 1 -28 24 22 o 106.9479 22.28565 399.1815       135.2402 469.6173       165.2806 256.4814       235.2541 113.5497 25.45020 82.26590 32.66784 31.28378       41.41135 
1 1 1 -28 24 23 o 165.6073 38.69713 1226.992       369.0425 0.000000       0.000000 1226.992       369.0425 ?        ?        165.6073 38.69713 0.000000       38.69713 
1 1 1 -28 24 24 o 68.89842 27.08502 154.0535       160.2379 0.000000       0.000000 154.0535       160.2379 ?        ?        68.89842 27.08502 0.000000       27.08502 
1 1 1 -28 24 25 o 166.3102 19.58265 930.7039       187.3465 0.000000       0.000000 930.7039       187.3465 ?        ?        166.3102 19.58265 0.000000       19.58265 
1 1 1 -28 24 26 o 65.51186 26.35341 131.7856       155.1163 0.000000       0.000000 131.7856       155.1163 ?        ?        65.51186 26.35341 0.000000       26.35341 
1 1 1 -28 24 27 o 58.27111 25.64158 43.23565       169.7775 0.000000       0.000000 43.23565       169.7775 ?        ?        58.27111 25.64158 0.000000       25.64158 
1 1 1 -28 24 28 o 137.3113 25.03686 697.2900       194.1949 0.000000       0.000000 697.2900       194.1949 ?        ?        137.3113 25.03686 0.000000       25.03686 
1 1 1 -28 25 1  o 48.55154 22.21360 -65.15166      141.9463 -10.07477      157.0835 -310.3159      331.4167 55.47102 24.52598 63.29716 30.44094 -7.826141      39.09187 
1 1 1 -28 25 2  o 100.2445 24.07222 340.8051       139.7359 340.8723       156.8353 340.5461       307.7494 99.06950 26.48363 97.53470 37.76595 1.534805       46.12645 
1 1 1 -28 25 3  o 128.3564 19.63061 530.4474       143.0865 449.4372       160.8777 837.1464       313.0271 115.1433 24.57236 147.5677 36.39918 -32.42445      43.91698 
1 1 1 -28 25 4  o 174.7267 15.73737 947.9633       159.5393 1031.486       183.4813 689.1068       323.0122 181.1611 17.48643 130.4059 39.12834 50.75525       42.85793 
1 1 1 -28 25 5  o 59.51608 24.48325 64.50570       137.4813 -56.72937      152.2858 598.6700       319.6559 50.92833 23.18868 121.0135 39.33159 -70.08519      45.65839 
1 1 1 -28 25 6  f 83.72757 25.50292 240.2866       136.4931 308.1397       152.5148 -32.71966      305.9240 93.91578 26.52770 71.83916 32.77018 22.07661       42.16163 
1 1 1 -28 25 7  o 157.1543 16.73167 775.7792       151.8430 936.5235       177.9655 345.6003       291.1337 172.0064 17.90340 96.73391 36.91756 75.27253       41.02972 
1 1 1 -28 25 8  o 84.21785 25.23086 244.6020       134.3847 193.7928       152.9458 416.6528       281.4457 76.72787 27.17485 103.1177 36.82784 -26.38982      45.76857 
1 1 1 -28 25 9  o 77.34402 25.62237 202.3558       135.3879 223.0773       157.3364 143.2381       265.7527 80.70808 27.62457 78.52087 33.28738 2.187202       43.25698 
1 1 1 -28 25 10 o 122.2350 20.16870 489.1914       139.5471 566.6549       163.0848 277.4242       269.6464 130.4397 22.10701 89.27277 35.12291 41.16688       41.50107 
1 1 1 -28 25 11 o 46.60574 21.27644 -53.29818      129.2874 -97.59633      147.4925 93.65188       268.6347 46.87005 21.86153 74.81643 32.60379 -27.94638      39.25473 
1 1 1 -28 25 12 o 58.46352 23.99361 67.55092       131.6359 131.8404       152.7350 -118.1177      259.5602 68.23128 26.55377 61.72501 28.85953 6.506271       39.21703 
1 1 1 -28 25 13 o 61.76857 24.76434 91.63681       136.4887 70.86549       159.7900 147.6870       262.4858 62.21515 26.06056 77.72669 33.02171 -15.51154      42.06645 
1 1 1 -28 25 14 o 78.45021 25.11372 213.7855       130.6442 314.1058       152.1695 -67.48228      254.7962 93.48538 26.52888 63.34917 29.26585 30.13621       39.50027 
1 1 1 -28 25 15 o 99.62019 22.90100 342.1153       130.9958 317.4669       153.3004 408.8172       252.1841 93.67252 26.64242 100.4195 34.94652 -6.746956      43.94403 
1 1 1 -28 25 16 o 134.8182 20.78181 605.1209       159.0438 596.5724       172.3701 654.0807       412.5137 132.0755 23.09345 114.3191 43.86585 17.75640       49.57338 
1 1 1 -28 25 17 o 76.03515 26.80622 201.7259       148.6880 78.32667       167.1831 668.7063       325.2262 62.97228 26.53404 120.8297 39.69813 -57.85746      47.74931 
1 1 1 -28 25 18 o 171.3796 16.35201 936.2498       162.3640 984.6923       186.1963 782.5186       331.6951 173.8530 18.54770 130.7033 39.74498 43.14970       43.85979 
1 1 1 -28 25 19 o 69.80614 25.81464 161.6724       139.9516 -29.31138      175.2536 497.8420       232.5134 54.88643 24.94600 109.9023 33.24667 -55.01590      41.56494 
1 1 1 -28 25 20 o 64.30472 24.83849 125.2931       132.8813 95.44463       160.5679 190.1637       236.7128 63.26126 26.28205 76.82372 31.91333 -13.56246      41.34256 
1 1 1 -28 25 21 o 75.57776 32.16366 171.2907       249.7579 0.000000       0.000000 171.2907       249.7579 ?        ?        75.57776 32.16366 0.000000       32.16366 
1 1 1 -28 25 22 o 137.9855 17.87135 625.1163       141.2306 0.000000       0.000000 625.1163       141.2306 ?        ?        137.9855 17.87135 0.000000       17.87135 
1 1 1 -28 25 23 o 55.96434 24.97685 11.52640       166.7937 0.000000       0.000000 11.52640       166.7937 ?        ?        55.96434 24.97685 0.000000       24.97685 
1 1 1 -28 25 24 o 45.56044 21.87143 -160.7807      169.3261 0.000000       0.000000 -160.7807      169.3261 ?        ?        45.56044 21.87143 0.000000       21.87143 
1 1 1 -28 25 25 o 142.1347 23.66218 723.3459       190.3133 0.000000       0.000000 723.3459       190.3133 ?        ?        142.1347 23.66218 0.000000       23.66218 
1 1 1 -28 25 26 o 74.67670 29.65343 205.2097       193.8368 0.000000       0.000000 205.2097       193.8368 ?        ?        74.67670 29.65343 0.000000       29.65343 
1 1 1 -28 25 27 o 82.67271 36.08601 295.2314       330.2288 0.000000       0.000000 295.2314       330.2288 ?        ?        82.67271 36.08601 0.000000       36.08601 
1 1 1 -28 26 1  o 38.21687 18.68806 -231.9542      139.2704 -247.6830      154.9244 -165.7087      317.9430 40.54905 19.80308 66.60406 31.39182 -26.05500      37.11615 
1 1 1 -28 26 2  o 108.9813 23.80603 404.0750       147.8884 366.1340       167.7400 536.5109       313.3899 101.4807 27.50313 113.9540 38.98778 -12.47337      47.71236 
1 1 1 -28 26 3  o 143.9427 18.94408 665.3516       156.0458 815.5352       177.3079 149.3927       328.6430 159.2303 19.38586 83.22605 36.16768 76.00425       41.03551 
1 1 1 -28 26 4  o 138.1931 19.12737 615.2971       150.8699 675.3987       172.0399 415.1776       313.9286 143.5780 21.05652 102.2944 38.49604 41.28360       43.87849 
1 1 1 -28 26 5  o 77.85609 25.55386 205.7717       134.7727 121.0986       149.3652 576.7000       312.6237 67.00552 26.20663 117.4717 38.93569 -50.46622      46.93373 
1 1 1 -28 26 6  o 135.2824 18.43067 587.2942       142.4299 566.2767       161.7903 659.6844       300.2635 130.5938 21.89865 126.9802 37.63554 3.613625       43.54291 
1 1 1 -28 26 7  o 59.23112 23.68209 80.41927       124.4687 148.4657       140.7029 -164.4692      266.9221 69.63757 25.85947 60.69484 28.65427 8.942726       38.59766 
1 1 1 -28 26 8  o 48.43145 21.79786 -32.46939      129.9876 -30.65730      147.0760 -38.93635      277.8449 51.58738 23.20506 67.83576 31.05233 -16.24838      38.76496 
1 1 1 -28 26 9  o 42.63232 19.88779 -87.13209      122.1329 -137.1448      139.2169 79.95140       254.4595 42.85805 20.36810 72.62258 31.68840 -29.76453      37.66980 
1 1 1 -28 26 10 o 184.3315 13.96831 1049.977       149.8819 1009.027       183.0092 1133.394       261.2030 177.9302 17.77536 181.8256 25.16889 -3.895477      30.81293 
1 1 1 -28 26 11 o 56.12310 23.41365 52.19350       128.1999 77.59866       145.8334 -34.21484      268.9514 61.19312 25.19900 66.71577 30.54403 -5.522652      39.59706 
1 1 1 -28 26 12 o 96.25003 24.41927 324.8911       138.0389 334.3637       159.7106 296.9189       274.4499 96.01119 27.15547 89.68246 35.38813 6.328728       44.60649 
1 1 1 -28 26 13 o 48.40810 21.97852 -41.20953      135.5989 35.42253       155.5516 -283.7605      276.7393 58.01173 25.04672 56.37892 27.28678 1.632816       37.03926 
1 1 1 -28 26 14 f 98.49905 23.51264 338.4164       133.9384 323.1868       156.3790 380.3530       259.4952 94.07801 26.95777 96.72903 35.25368 -2.651024      44.37953 
1 1 1 -28 26 15 o 75.92360 36.00490 -79.06568      430.4554 0.000000       0.000000 -79.06568      430.4554 ?        ?        75.92360 36.00490 0.000000       36.00490 
1 1 1 -28 26 16 o 194.2180 14.40138 1179.180       162.8707 1266.792       205.9511 1032.911       266.1084 198.0560 17.92454 168.4276 27.91688 29.62846       33.17591 
1 1 1 -28 26 17 o 116.2100 22.27754 464.9533       146.3076 485.2659       178.0907 422.7813       256.6082 114.9231 26.90120 99.63421 35.20749 15.28893       44.30848 
1 1 1 -28 26 18 o 77.06597 26.79768 214.2434       148.2720 311.0061       165.4697 -180.0176      334.0078 90.37930 28.17849 64.42152 30.87085 25.95778       41.79757 
1 1 1 -28 26 19 o 76.69093 32.23815 185.7633       245.8658 0.000000       0.000000 185.7633       245.8658 ?        ?        76.69093 32.23815 0.000000       32.23815 
1 1 1 -28 26 20 o 46.89360 21.45811 -44.15755      132.5178 0.000000       0.000000 -44.15755      132.5178 ?        ?        46.89360 21.45811 0.000000       21.45811 
1 1 1 -28 26 21 o 58.97683 23.94956 87.79498       129.4691 0.000000       0.000000 87.79498       129.4691 ?        ?        58.97683 23.94956 0.000000       23.94956 
1 1 1 -28 26 22 o 68.54794 25.30978 161.5739       134.4393 0.000000       0.000000 161.5739       134.4393 ?        ?        68.54794 25.30978 0.000000       25.30978 
1 1 1 -28 26 23 o 45.79727 21.59134 -100.3749      150.6040 0.000000       0.000000 -100.3749      150.6040 ?        ?        45.79727 21.59134 0.000000       21.59134 
1 1 1 -28 26 24 o 79.24757 28.54351 244.1466       169.4581 0.000000       0.000000 244.1466       169.4581 ?        ?        79.24757 28.54351 0.000000       28.54351 
1 1 1 -28 26 25 o 153.7788 22.88635 838.8046       200.1260 0.000000       0.000000 838.8046       200.1260 ?        ?        153.7788 22.88635 0.000000       22.88635 
1 1 1 -28 27 1  o 167.5734 16.34270 882.1808       158.5739 865.5291       179.3773 941.7379       339.2383 164.1167 18.98625 152.4831 38.05710 11.63356       42.53023 
1 1 1 -28 27 2  o 164.4523 15.91663 847.2410       151.5949 758.4812       169.2775 1206.750       340.6792 153.3206 19.24871 179.0091 33.68630 -25.68843      38.79794 
1 1 1 -28 27 3  o 166.3468 16.29377 869.6790       156.9229 868.0449       179.4554 874.9880       323.4630 164.2906 18.97304 147.2640 37.39051 17.02661       41.92883 
1 1 1 -28 27 4  o 81.46148 26.49008 230.8102       144.9893 193.7741       154.3742 507.9295       422.2749 76.32523 27.27330 107.3000 43.36876 -30.97480      51.23165 
1 1 1 -28 27 5  o 58.61319 24.64389 53.65750       143.7190 83.45990       153.4803 -158.5324      409.5334 62.92484 25.87529 73.96431 35.08836 -11.03947      43.59729 
1 1 1 -28 27 6  o 47.54333 21.80492 -61.26083      137.8810 -117.2022      156.4308 133.5418       291.9127 47.17890 22.16869 78.84876 34.17715 -31.66986      40.73731 
1 1 1 -28 27 7  o 147.7547 16.18977 688.9075       137.9974 778.7299       159.3923 420.0687       275.7533 156.1252 17.72091 101.8188 36.44328 54.30639       40.52337 
1 1 1 -28 27 8  f 54.26645 22.58235 48.08239       118.8236 -5.520004      131.4564 287.4486       277.7928 50.84061 22.45944 89.25429 35.48061 -38.41368      41.99167 
1 1 1 -28 27 9  o 100.2006 22.19770 342.0850       127.0080 409.3861       146.7815 141.5530       253.3681 108.8927 23.66145 76.29019 32.42847 32.60252       40.14312 
1 1 1 -28 27 10 o 57.03528 23.50943 63.01982       127.0945 -53.78128      146.8642 411.3688       253.6296 49.46087 22.61660 100.8082 35.04865 -51.34736      41.71233 
1 1 1 -28 27 11 f 133.4927 18.63275 579.5989       141.9074 661.9318       166.6623 362.5443       270.6044 141.2098 20.74213 95.02890 35.74556 46.18086       41.32772 
1 1 1 -28 27 12 o 62.92708 24.74362 107.9016       133.7597 171.8757       151.8341 -113.8377      282.6758 72.31637 26.86126 63.42563 29.80206 8.890736       40.12094 
1 1 1 -28 27 13 o 145.8441 17.70798 687.0628       148.3641 695.3850       177.6070 667.8453       269.8913 143.5245 21.78341 127.1795 35.05831 16.34501       41.27472 
1 1 1 -28 27 14 o 74.32236 26.58494 191.1075       146.7188 170.4799       173.0187 243.9123       276.8249 72.76127 28.27739 83.61779 34.60344 -10.85652      44.68790 
1 1 1 -28 27 15 o 145.2277 17.42904 682.1053       145.4854 579.0529       174.6905 915.3701       262.8239 128.5162 24.06129 155.9013 29.83158 -27.38512      38.32582 
1 1 1 -28 27 16 o 112.3926 22.93992 441.1089       146.0866 380.2576       176.8081 572.0234       259.3350 99.54178 28.70869 115.4927 35.14816 -15.95094      45.38262 
1 1 1 -28 27 17 o 103.5159 24.46528 385.5718       146.1619 0.000000       0.000000 385.5718       146.1619 ?        ?        103.5159 24.46528 0.000000       24.46528 
1 1 1 -28 27 18 o 134.0732 21.36039 613.9823       162.3277 0.000000       0.000000 613.9823       162.3277 ?        ?        134.0732 21.36039 0.000000       21.36039 
1 1 1 -28 27 19 o 56.94949 24.11545 58.39744       139.2164 0.000000       0.000000 58.39744       139.2164 ?        ?        56.94949 24.11545 0.000000       24.11545 
1 1 1 -28 27 20 f 51.02796 22.77414 -2.518868      138.6779 0.000000       0.000000 -2.518868      138.6779 ?        ?        51.02796 22.77414 0.000000       22.77414 
1 1 1 -28 27 21 o 59.62746 25.08709 78.39889       149.0916 0.000000       0.000000 78.39889       149.0916 ?        ?        59.62746 25.08709 0.000000       25.08709 
1 1 1 -28 27 22 o 57.26473 24.52386 58.00418       146.8393 0.000000       0.000000 58.00418       146.8393 ?        ?        57.26473 24.52386 0.000000       24.52386 
1 1 1 -28 27 23 o 63.77945 26.15730 115.0559       156.3108 0.000000       0.000000 115.0559       156.3108 ?        ?        63.77945 26.15730 0.000000       26.15730 
1 1 1 -28 27 24 o 160.4249 19.28501 869.6224       177.8098 0.000000       0.000000 869.6224       177.8098 ?        ?        160.4249 19.28501 0.000000       19.28501 
1 1 1 -28 28 1  o 88.65877 26.02943 279.0495       144.1933 294.2427       160.3183 214.7159       329.8956 90.26281 27.66756 85.88071 36.76811 4.382103       46.01509 
1 1 1 -28 28 2  o 132.6929 21.71134 587.6102       163.1225 650.6537       173.0449 84.69164       488.7509 139.6449 21.84456 86.70293 40.22136 52.94198       45.77055 
1 1 1 -28 28 3  o 48.42368 21.47846 -12.53724      121.4150 38.20387       130.5819 -336.3451      329.8730 54.96036 23.31793 60.71210 29.47964 -5.751736      37.58690 
1 1 1 -28 28 4  o 40.64890 19.28419 -120.1958      123.7151 -191.5717      134.5525 270.1086       314.6426 38.91063 18.87823 88.76810 36.82719 -49.85748      41.38393 
1 1 1 -28 28 5  o 107.9419 22.53207 397.0518       138.0253 434.0842       154.5969 251.5640       306.4246 111.7841 24.27802 86.97933 36.23540 24.80479       43.61682 
1 1 1 -28 28 6  o 63.82364 24.47135 116.4791       128.3146 112.7931       142.3408 132.4653       296.4334 64.63349 25.49113 78.25177 34.17234 -13.61828      42.63269 
1 1 1 -28 28 7  o 81.98027 24.88820 236.8798       130.1378 292.7253       148.8290 55.49311       268.2232 90.05791 26.44570 71.24739 31.74364 18.81052       41.31627 
1 1 1 -28 28 8  o 52.14734 22.49213 21.69360       125.1929 24.95872       141.9076 10.23095       265.8879 55.02835 23.84082 68.21140 30.89283 -13.18305      39.02245 
1 1 1 -28 28 9  o 36.60831 17.91083 -210.6755      128.4239 -58.31607      147.4152 -690.3533      261.5667 49.03780 22.51102 43.44501 21.91215 5.592796       31.41477 
1 1 1 -28 28 10 o 68.14006 25.16207 148.6779       132.8811 194.9233       157.1891 32.86863       248.7483 75.36490 27.44235 67.64023 30.32182 7.724670       40.89615 
1 1 1 -28 28 11 o 82.73608 25.96802 247.1587       140.2858 167.7238       168.4105 427.2191       253.5554 72.32376 27.95546 100.9701 35.04703 -28.64636      44.83081 
1 1 1 -28 28 12 o 34.33718 17.07784 -293.8348      134.5570 -322.2517      157.8068 -218.1435      257.5493 37.62780 18.67719 55.93768 26.88443 -18.30988      32.73545 
1 1 1 -28 28 13 o 40.29186 19.40625 -162.0721      135.8771 -99.52232      160.0728 -323.3455      257.0312 48.11662 22.55071 51.94459 25.39816 -3.827969      33.96470 
1 1 1 -28 28 14 o 134.9349 34.87583 761.1713       277.9833 0.000000       0.000000 761.1713       277.9833 ?        ?        134.9349 34.87583 0.000000       34.87583 
1 1 1 -28 28 15 o 92.76950 24.64166 311.9836       136.3204 0.000000       0.000000 311.9836       136.3204 ?        ?        92.76950 24.64166 0.000000       24.64166 
1 1 1 -28 28 16 o 75.59894 26.93013 205.5861       150.3987 0.000000       0.000000 205.5861       150.3987 ?        ?        75.59894 26.93013 0.000000       26.93013 
1 1 1 -28 28 17 f 102.5159 26.25204 391.2983       158.5062 0.000000       0.000000 391.2983       158.5062 ?        ?        102.5159 26.25204 0.000000       26.25204 
1 1 1 -28 28 18 o 60.18068 25.66086 69.84930       159.5173 0.000000       0.000000 69.84930       159.5173 ?        ?        60.18068 25.66086 0.000000       25.66086 
1 1 1 -28 28 19 o 80.43397 26.59939 244.4204       145.9284 0.000000       0.000000 244.4204       145.9284 ?        ?        80.43397 26.59939 0.000000       26.59939 
1 1 1 -28 28 20 o 114.5679 22.60618 464.6746       146.4975 0.000000       0.000000 464.6746       146.4975 ?        ?        114.5679 22.60618 0.000000       22.60618 
1 1 1 -28 28 21 o 71.03206 26.56937 179.3429       149.0610 0.000000       0.000000 179.3429       149.0610 ?        ?        71.03206 26.56937 0.000000       26.56937 
1 1 1 -28 28 22 o 50.15931 22.65685 -14.42024      141.8951 0.000000       0.000000 -14.42024      141.8951 ?        ?        50.15931 22.65685 0.000000       22.65685 
1 1 1 -28 29 1  f 82.32590 25.89989 241.1904       139.4707 260.9441       153.7396 149.3476       331.5004 84.94412 27.24838 80.88493 35.70166 4.059189       44.91194 
1 1 1 -28 29 2  o 168.6559 16.42391 902.2966       160.3980 933.2905       182.2414 795.7563       337.8833 169.7863 18.60619 133.6196 40.00188 36.16664       44.11736 
1 1 1 -28 29 3  o 77.17025 26.05715 208.1353       139.9312 195.6913       156.6096 257.4013       311.6112 75.71548 27.41743 86.70027 36.35987 -10.98479      45.53851 
1 1 1 -28 29 4  o 196.9425 14.65829 1210.930       168.0923 1396.455       198.1692 735.0753       317.3744 210.1693 16.20241 129.4017 38.77578 80.76764       42.02474 
1 1 1 -28 29 5  o 63.19379 24.88666 108.8807       135.4929 118.8248       151.9557 70.30279       299.2964 65.84850 26.22018 74.02920 33.21725 -8.180702      42.31883 
1 1 1 -28 29 6  o 105.7441 24.74836 396.4159       150.7478 609.2797       177.3676 -157.4076      286.0942 132.8021 23.63955 61.79600 29.31914 71.00612       37.66218 
1 1 1 -28 29 7  o 93.67088 25.71792 317.3903       145.5677 208.4628       171.8258 594.3435       273.9825 77.40387 28.60737 118.1946 36.15801 -40.79078      46.10622 
1 1 1 -28 29 8  o 139.6545 19.84530 645.6670       157.9706 754.9277       190.1132 401.9686       283.9268 148.8945 22.47007 97.28211 36.61022 51.61236       42.95594 
1 1 1 -28 29 9  o 158.8724 16.67371 807.9449       153.0449 892.2607       187.2771 638.4247       265.5467 164.2825 19.83888 123.5619 35.03859 40.72053       40.26517 
1 1 1 -28 29 10 o 49.11496 22.49466 -49.63528      146.0625 -90.53713      179.3035 31.04626       251.8282 51.63509 24.09071 67.20587 30.28579 -15.57078      38.69873 
1 1 1 -28 29 11 o 56.53350 27.07428 -191.2767      256.0397 0.000000       0.000000 -191.2767      256.0397 ?        ?        56.53350 27.07428 0.000000       27.07428 
1 1 1 -28 29 12 o 68.22994 24.04572 157.1877       119.6329 0.000000       0.000000 157.1877       119.6329 ?        ?        68.22994 24.04572 0.000000       24.04572 
1 1 1 -28 29 13 o 113.6885 22.62820 450.3257       145.5677 0.000000       0.000000 450.3257       145.5677 ?        ?        113.6885 22.62820 0.000000       22.62820 
1 1 1 -28 29 14 o 139.6194 20.02280 653.7521       159.2676 0.000000       0.000000 653.7521       159.2676 ?        ?        139.6194 20.02280 0.000000       20.02280 
1 1 1 -28 29 15 o 95.84507 27.47111 350.4646       162.3715 0.000000       0.000000 350.4646       162.3715 ?        ?        95.84507 27.47111 0.000000       27.47111 
1 1 1 -28 29 16 o 130.8868 22.85711 600.7829       169.0747 0.000000       0.000000 600.7829       169.0747 ?        ?        130.8868 22.85711 0.000000       22.85711 
1 1 1 -28 29 17 o 74.47691 28.83681 198.6901       179.4234 0.000000       0.000000 198.6901       179.4234 ?        ?        74.47691 28.83681 0.000000       28.83681 
1 1 1 -28 29 18 o 182.4545 17.13856 1085.259       181.2443 0.000000       0.000000 1085.259       181.2443 ?        ?        182.4545 17.13856 0.000000       17.13856 
1 1 1 -28 29 19 f 107.8605 26.77554 442.9621       168.5858 0.000000       0.000000 442.9621       168.5858 ?        ?        107.8605 26.77554 0.000000       26.77554 
1 1 1 -28 29 20 f 55.01014 24.80473 -0.4968771     169.2164 0.000000       0.000000 -0.4968771     169.2164 ?        ?        55.01014 24.80473 0.000000       24.80473 
1 1 1 -28 29 21 o 43.67532 21.19998 -199.8886      170.2147 0.000000       0.000000 -199.8886      170.2147 ?        ?        43.67532 21.19998 0.000000       21.19998 
1 1 1 -28 30 1  o 58.57924 24.42663 66.48463       139.4351 126.5274       152.6796 -235.2430      342.2615 66.58276 26.35654 64.06083 30.84053 2.521927       40.56853 
1 1 1 -28 30 2  o 121.2893 21.03049 495.7726       144.1772 402.2224       159.5011 913.6539       337.1071 105.3872 25.97529 144.1748 38.95359 -38.78761      46.81985 
1 1 1 -28 30 3  o 183.2776 16.23670 1067.763       172.7212 838.4084       187.9982 2309.397       437.4177 158.5307 20.71547 247.7910 30.75971 -89.26025      37.08492 
1 1 1 -28 30 4  o 94.45083 25.35652 322.6549       143.3945 235.0966       163.3421 616.8970       299.4346 80.43593 28.11643 117.3403 38.06191 -36.90433      47.32064 
1 1 1 -28 30 5  o 168.4201 31.70610 1092.331       301.6868 0.000000       0.000000 1092.331       301.6868 ?        ?        168.4201 31.70610 0.000000       31.70610 
1 1 1 -28 30 6  o 45.06262 20.97376 -79.07270      134.6111 -81.09585      154.1596 -72.57858      276.1961 48.33036 22.47791 64.00340 29.87388 -15.67304      37.38590 
1 1 1 -28 30 7  o 69.31260 31.31752 40.24825       271.3410 0.000000       0.000000 40.24825       271.3410 ?        ?        69.31260 31.31752 0.000000       31.31752 
1 1 1 -28 30 8  o 55.99641 23.51893 55.52668       130.6824 0.000000       0.000000 55.52668       130.6824 ?        ?        55.99641 23.51893 0.000000       23.51893 
1 1 1 -28 30 9  o 45.57021 21.21650 -78.86259      137.9111 0.000000       0.000000 -78.86259      137.9111 ?        ?        45.57021 21.21650 0.000000       21.21650 
1 1 1 -28 30 10 o 112.7925 23.11792 445.9151       147.7832 0.000000       0.000000 445.9151       147.7832 ?        ?        112.7925 23.11792 0.000000       23.11792 
1 1 1 -28 30 11 o 48.10040 22.18920 -60.03865      145.7093 0.000000       0.000000 -60.03865      145.7093 ?        ?        48.10040 22.18920 0.000000       22.18920 
1 1 1 -28 30 12 o 86.55882 26.10410 278.8894       143.4983 0.000000       0.000000 278.8894       143.4983 ?        ?        86.55882 26.10410 0.000000       26.10410 
1 1 1 -28 30 13 o 141.1296 22.31549 690.0886       178.5695 0.000000       0.000000 690.0886       178.5695 ?        ?        141.1296 22.31549 0.000000       22.31549 
1 1 1 -28 30 14 o 176.7058 17.47002 1018.549       178.6817 0.000000       0.000000 1018.549       178.6817 ?        ?        176.7058 17.47002 0.000000       17.47002 
1 1 1 -28 30 15 o 48.77478 23.15239 -128.4698      178.8235 0.000000       0.000000 -128.4698      178.8235 ?        ?        48.77478 23.15239 0.000000       23.15239 
1 1 1 -28 30 16 f 102.4989 30.23383 427.1704       194.1545 0.000000       0.000000 427.1704       194.1545 ?        ?        102.4989 30.23383 0.000000       30.23383 
1 1 1 -28 30 17 o 122.2690 26.35513 558.9678       183.4135 0.000000       0.000000 558.9678       183.4135 ?        ?        122.2690 26.35513 0.000000       26.35513 
1 1 1 -28 30 18 o 68.72003 28.27193 145.7160       183.3435 0.000000       0.000000 145.7160       183.3435 ?        ?        68.72003 28.27193 0.000000       28.27193 
1 1 1 -28 30 19 o 57.99607 26.09599 16.60576       186.1691 0.000000       0.000000 16.60576       186.1691 ?        ?        57.99607 26.09599 0.000000       26.09599 
1 1 1 -28 31 1  o 65.14916 23.73912 136.1634       117.6568 139.5540       124.9591 109.6707       349.2971 66.06700 24.39979 78.14158 35.39746 -12.07458      42.99221 
1 1 1 -28 31 2  o 151.1762 39.17336 1013.896       350.1111 0.000000       0.000000 1013.896       350.1111 ?        ?        151.1762 39.17336 0.000000       39.17336 
1 1 1 -28 31 3  o 131.7453 34.22002 714.0818       266.7412 38.84169       453.4875 1071.286       329.8331 80.01629 37.64434 160.6237 35.91578 -80.60738      52.02921 
1 1 1 -28 31 4  o 78.71371 24.79531 221.9409       127.7888 0.000000       0.000000 221.9409       127.7888 ?        ?        78.71371 24.79531 0.000000       24.79531 
1 1 1 -28 31 5  o 58.86375 24.25847 76.85886       135.2879 0.000000       0.000000 76.85886       135.2879 ?        ?        58.86375 24.25847 0.000000       24.25847 
1 1 1 -28 31 6  o 80.10442 26.89433 235.3670       149.0744 0.000000       0.000000 235.3670       149.0744 ?        ?        80.10442 26.89433 0.000000       26.89433 
1 1 1 -28 31 7  o 44.83386 21.37523 -142.0757      155.8295 0.000000       0.000000 -142.0757      155.8295 ?        ?        44.83386 21.37523 0.000000       21.37523 
1 1 1 -28 31 8  o 70.81721 25.73500 172.3802       138.1423 0.000000       0.000000 172.3802       138.1423 ?        ?        70.81721 25.73500 0.000000       25.73500 
1 1 1 -28 31 9  o 125.3050 21.33998 537.7501       151.2090 0.000000       0.000000 537.7501       151.2090 ?        ?        125.3050 21.33998 0.000000       21.33998 
1 1 1 -28 31 10 o 136.6968 19.47410 624.9919       151.7128 0.000000       0.000000 624.9919       151.7128 ?        ?        136.6968 19.47410 0.000000       19.47410 
1 1 1 -28 31 11 o 108.5496 27.55805 449.0827       175.7236 0.000000       0.000000 449.0827       175.7236 ?        ?        108.5496 27.55805 0.000000       27.55805 
1 1 1 -28 31 12 o 89.17816 28.92417 313.4120       172.9213 0.000000       0.000000 313.4120       172.9213 ?        ?        89.17816 28.92417 0.000000       28.92417 
1 1 1 -28 31 13 o 126.5850 27.31348 604.1327       196.8141 0.000000       0.000000 604.1327       196.8141 ?        ?        126.5850 27.31348 0.000000       27.31348 
1 1 1 -28 31 14 o 66.65175 28.04213 117.8568       186.2806 0.000000       0.000000 117.8568       186.2806 ?        ?        66.65175 28.04213 0.000000       28.04213 
1 1 1 -28 31 15 o 105.4264 31.36079 462.6689       208.1860 0.000000       0.000000 462.6689       208.1860 ?        ?        105.4264 31.36079 0.000000       31.36079 
1 1 1 -28 31 16 o 92.81281 29.36618 348.8614       179.0630 0.000000       0.000000 348.8614       179.0630 ?        ?        92.81281 29.36618 0.000000       29.36618 
1 1 1 -28 31 17 o 59.28101 26.16875 45.22871       178.1492 0.000000       0.000000 45.22871       178.1492 ?        ?        59.28101 26.16875 0.000000       26.16875 
1 1 1 -28 32 1  o 68.80127 26.46714 152.5098       150.4392 78.60886       373.4493 166.8254       164.3656 76.93789 35.50335 71.20485 27.59197 5.733040       44.96448 
1 1 1 -28 32 2  o 69.69101 26.07376 162.4384       143.5688 35.29536       407.5183 180.4549       153.4040 76.77599 35.98203 72.38484 26.97792 4.391144       44.97237 
1 1 1 -28 32 3  o 100.9458 26.87123 382.1953       161.8858 0.000000       0.000000 382.1953       161.8858 ?        ?        100.9458 26.87123 0.000000       26.87123 
1 1 1 -28 32 4  o 114.9058 24.96414 477.1920       163.4113 1469.185       468.8799 340.0440       174.3419 167.9348 46.17614 93.44622 28.88993 74.48859       54.46893 
1 1 1 -28 32 5  o 121.1815 23.87477 521.5822       163.6402 0.000000       0.000000 521.5822       163.6402 ?        ?        121.1815 23.87477 0.000000       23.87477 
1 1 1 -28 32 6  o 113.3526 25.17586 467.5972       163.0106 0.000000       0.000000 467.5972       163.0106 ?        ?        113.3526 25.17586 0.000000       25.17586 
1 1 1 -28 32 7  o 42.85995 20.56071 -153.8011      149.0534 0.000000       0.000000 -153.8011      149.0534 ?        ?        42.85995 20.56071 0.000000       20.56071 
1 1 1 -28 32 8  o 82.71329 27.94425 261.1533       160.9337 0.000000       0.000000 261.1533       160.9337 ?        ?        82.71329 27.94425 0.000000       27.94425 
1 1 1 -28 32 9  o 51.23149 23.67038 -57.21001      166.7462 0.000000       0.000000 -57.21001      166.7462 ?        ?        51.23149 23.67038 0.000000       23.67038 
1 1 1 -28 32 10 o 72.70350 27.46374 186.4542       160.1177 0.000000       0.000000 186.4542       160.1177 ?        ?        72.70350 27.46374 0.000000       27.46374 
1 1 1 -28 32 11 o 74.65536 28.24333 201.5064       169.4838 0.000000       0.000000 201.5064       169.4838 ?        ?        74.65536 28.24333 0.000000       28.24333 
1 1 1 -28 32 12 o 67.89411 28.54461 126.8308       192.8012 0.000000       0.000000 126.8308       192.8012 ?        ?        67.89411 28.54461 0.000000       28.54461 
1 1 1 -28 32 13 o 87.41312 31.34783 317.1397       204.1390 0.000000       0.000000 317.1397       204.1390 ?        ?        87.41312 31.34783 0.000000       31.34783 
1 1 1 -28 32 14 o 55.22587 25.58127 -47.80560      196.6043 0.000000       0.000000 -47.80560      196.6043 ?        ?        55.22587 25.58127 0.000000       25.58127 
1 1 1 -28 33 1  o 62.01245 25.52493 95.57238       149.5420 273.6924       283.5240 26.92274       176.0162 84.24892 34.95604 58.63322 25.94124 25.61569       43.53014 
1 1 1 -28 33 2  o 88.82098 26.46658 296.2443       148.1770 -205.6922      311.2187 443.3824       168.5015 61.00121 29.37798 109.0429 26.59113 -48.04168      39.62517 
1 1 1 -28 33 3  o 62.27914 25.80366 94.73524       154.1857 469.3100       361.0248 11.17316       170.5189 97.62813 39.86256 56.68601 25.27954 40.94212       47.20253 
1 1 1 -28 33 4  o 179.3490 17.38952 1045.973       180.6172 0.000000       0.000000 1045.973       180.6172 ?        ?        179.3490 17.38952 0.000000       17.38952 
1 1 1 -28 33 5  o 129.7272 21.83371 581.4906       160.2219 991.3277       422.7258 512.7379       173.1402 132.7535 45.28431 118.2169 25.70694 14.53658       52.07220 
1 1 1 -28 33 6  o 116.9422 26.07799 505.8668       174.2940 0.000000       0.000000 505.8668       174.2940 ?        ?        116.9422 26.07799 0.000000       26.07799 
1 1 1 -28 33 7  o 62.51508 26.84251 77.39387       176.7739 0.000000       0.000000 77.39387       176.7739 ?        ?        62.51508 26.84251 0.000000       26.84251 
1 1 1 -28 33 8  f 54.48199 24.63386 -10.73143      168.2293 0.000000       0.000000 -10.73143      168.2293 ?        ?        54.48199 24.63386 0.000000       24.63386 
1 1 1 -28 33 9  o 92.42589 30.37562 349.5223       190.4068 0.000000       0.000000 349.5223       190.4068 ?        ?        92.42589 30.37562 0.000000       30.37562 
1 1 1 -28 33 10 o 64.56765 27.88392 90.24481       192.8789 0.000000       0.000000 90.24481       192.8789 ?        ?        64.56765 27.88392 0.000000       27.88392 
1 1 1 -27 0  1  o 340.4006 26.96159 3516.544       530.2577 3516.544       530.2577 3516.544       530.2577 340.4006 26.96159 340.4006 26.96159 -0.000000      0.000000 
1 1 1 -27 0  2  o 422.6967 24.46698 5363.321       601.8505 5363.321       601.8505 5363.321       601.8505 422.6967 24.46698 422.6967 24.46698 -0.000000      0.000000 
1 1 1 -27 0  3  o 185.6857 46.77014 1222.767       440.4760 1222.767       440.4760 1222.767       440.4760 185.6857 46.77014 185.6857 46.77014 -0.000000      0.000000 
1 1 1 -27 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  6  o 343.3731 19.22354 3520.167       384.3286 3520.167       384.3286 3520.167       384.3286 343.3731 19.22354 343.3731 19.22354 -0.000000      0.000000 
1 1 1 -27 0  7  o 445.2181 17.44464 5882.333       453.9054 5882.333       453.9054 5882.333       453.9054 445.2181 17.44464 445.2181 17.44464 0.000000       0.000000 
1 1 1 -27 0  8  o 240.0997 24.69439 1767.932       338.5776 1767.932       338.5776 1767.932       338.5776 240.0997 24.69439 240.0997 24.69439 -0.000000      0.000000 
1 1 1 -27 0  9  o 79.27168 43.81224 272.2220       297.2509 272.2220       297.2509 272.2220       297.2509 79.27168 43.81224 79.27168 43.81224 -0.000000      0.000000 
1 1 1 -27 0  10 o 400.0950 17.65617 4759.857       412.4543 4759.857       412.4543 4759.857       412.4543 400.0950 17.65617 400.0950 17.65617 -0.000000      0.000000 
1 1 1 -27 0  11 f 48.18343 32.85036 -153.9371      286.8679 -153.9371      286.8679 -153.9371      286.8679 48.18343 32.85036 48.18343 32.85036 -0.000000      0.000000 
1 1 1 -27 0  12 o 396.0439 16.92268 4661.950       391.4271 4661.950       391.4271 4661.950       391.4271 396.0439 16.92268 396.0439 16.92268 0.000000       0.000000 
1 1 1 -27 0  13 o 363.7144 17.11654 3938.302       363.2639 3938.302       363.2639 3938.302       363.2639 363.7144 17.11654 363.7144 17.11654 0.000000       0.000000 
1 1 1 -27 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  15 o 266.4747 18.54815 2135.596       286.5904 2135.596       286.5904 2135.596       286.5904 266.4747 18.54815 266.4747 18.54815 -0.000000      0.000000 
1 1 1 -27 0  16 o 491.9473 15.86757 7181.679       456.7242 7181.679       456.7242 7181.679       456.7242 491.9473 15.86757 491.9473 15.86757 -0.000000      0.000000 
1 1 1 -27 0  17 o 272.7814 17.54487 2233.370       277.9849 2233.370       277.9849 2233.370       277.9849 272.7814 17.54487 272.7814 17.54487 0.000000       0.000000 
1 1 1 -27 0  18 o 263.1593 18.24912 2085.690       278.4866 2085.690       278.4866 2085.690       278.4866 263.1593 18.24912 263.1593 18.24912 0.000000       0.000000 
1 1 1 -27 0  19 o 81.84759 40.35473 307.7044       231.6686 307.7044       231.6686 307.7044       231.6686 81.84759 40.35473 81.84759 40.35473 0.000000       0.000000 
1 1 1 -27 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  21 o 78.70065 39.36294 286.0168       221.8510 286.0168       221.8510 286.0168       221.8510 78.70065 39.36294 78.70065 39.36294 -0.000000      0.000000 
1 1 1 -27 0  22 o 91.28278 40.58702 374.5537       229.7896 374.5537       229.7896 374.5537       229.7896 91.28278 40.58702 91.28278 40.58702 -0.000000      0.000000 
1 1 1 -27 0  23 o 230.7891 18.12076 1617.479       241.6923 1617.479       241.6923 1617.479       241.6923 230.7891 18.12076 230.7891 18.12076 -0.000000      0.000000 
1 1 1 -27 0  24 o 168.0822 23.22141 898.6411       216.4719 898.6411       216.4719 898.6411       216.4719 168.0822 23.22141 168.0822 23.22141 -0.000000      0.000000 
1 1 1 -27 0  25 o 259.5363 16.42444 2034.960       247.6761 2034.960       247.6761 2034.960       247.6761 259.5363 16.42444 259.5363 16.42444 0.000000       0.000000 
1 1 1 -27 0  26 o 57.55162 33.97982 134.0559       196.4942 134.0559       196.4942 134.0559       196.4942 57.55162 33.97982 57.55162 33.97982 -0.000000      0.000000 
1 1 1 -27 0  27 o 30.13557 21.60568 -269.9034      179.6964 -269.9034      179.6964 -269.9034      179.6964 30.13557 21.60568 30.13557 21.60568 0.000000       0.000000 
1 1 1 -27 0  28 o 183.8634 19.27178 1056.661       202.0975 1056.661       202.0975 1056.661       202.0975 183.8634 19.27178 183.8634 19.27178 0.000000       0.000000 
1 1 1 -27 0  29 o 39.66444 26.46105 -32.11873      167.7051 -32.11873      167.7051 -32.11873      167.7051 39.66444 26.46105 39.66444 26.46105 0.000000       0.000000 
1 1 1 -27 0  30 o 55.03293 31.82127 134.7569       166.4815 134.7569       166.4815 134.7569       166.4815 55.03293 31.82127 55.03293 31.82127 0.000000       0.000000 
1 1 1 -27 0  31 o 173.2292 20.91729 960.3224       204.2886 960.3224       204.2886 960.3224       204.2886 173.2292 20.91729 173.2292 20.91729 0.000000       0.000000 
1 1 1 -27 0  32 o 40.89721 27.28394 -24.70819      178.3112 -24.70819      178.3112 -24.70819      178.3112 40.89721 27.28394 40.89721 27.28394 0.000000       0.000000 
1 1 1 -27 0  33 o 51.56157 31.47410 104.5885       180.0831 104.5885       180.0831 104.5885       180.0831 51.56157 31.47410 51.56157 31.47410 -0.000000      0.000000 
1 1 1 -27 0  34 o 67.31454 36.05103 237.5993       194.9730 237.5993       194.9730 237.5993       194.9730 67.31454 36.05103 67.31454 36.05103 -0.000000      0.000000 
1 1 1 -27 0  35 o 200.8086 20.26433 1291.946       232.6385 1291.946       232.6385 1291.946       232.6385 200.8086 20.26433 200.8086 20.26433 -0.000000      0.000000 
1 1 1 -27 0  36 o 88.68832 37.52811 383.3338       197.3762 383.3338       197.3762 383.3338       197.3762 88.68832 37.52811 88.68832 37.52811 0.000000       0.000000 
1 1 1 -27 0  37 o 34.06569 23.67131 -107.7798      166.6914 -107.7798      166.6914 -107.7798      166.6914 34.06569 23.67131 34.06569 23.67131 0.000000       0.000000 
1 1 1 -27 0  38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  39 o 56.31000 34.51855 155.0296       218.6754 155.0296       218.6754 155.0296       218.6754 56.31000 34.51855 56.31000 34.51855 -0.000000      0.000000 
1 1 1 -27 0  40 o 238.4382 18.20252 1806.106       251.0433 1806.106       251.0433 1806.106       251.0433 238.4382 18.20252 238.4382 18.20252 -0.000000      0.000000 
1 1 1 -27 1  1  f 206.9183 27.36189 1318.635       323.9135 1382.243       436.2981 1240.521       483.4949 208.0258 37.12350 194.0866 43.54944 13.93921       57.22507 
1 1 1 -27 1  2  o 377.1624 17.74804 4241.133       391.4798 4336.956       562.7652 4151.284       544.9373 378.1281 25.52645 370.0386 25.26163 8.089508       35.91308 
1 1 1 -27 1  3  o 194.4116 29.52691 1175.858       326.0873 912.6217       442.1740 1489.708       482.8158 165.9270 44.51848 214.8449 39.78304 -48.91794      59.70415 
1 1 1 -27 1  4  o 379.1388 17.00882 4280.728       377.2384 4384.210       521.0809 4166.760       546.8422 381.1154 23.42619 370.6286 25.30968 10.48679       34.48719 
1 1 1 -27 1  5  o 281.6169 21.75741 2391.033       356.5644 0.000000       0.000000 2391.033       356.5644 ?        ?        281.6169 21.75741 0.000000       21.75741 
1 1 1 -27 1  6  o 274.3435 15.85927 2240.973       254.0816 2343.667       362.6377 2141.947       356.1028 278.5273 22.38853 265.9584 23.05786 12.56885       32.13894 
1 1 1 -27 1  7  o 81.04261 31.98326 125.5346       224.2057 -106.5729      307.8007 387.8868       327.2408 75.24660 33.73072 114.5747 39.81256 -39.32809      52.18047 
1 1 1 -27 1  8  o 46.86665 22.98468 -415.1078      215.3703 -484.3442      296.2029 -337.4453      313.7097 57.32844 27.85924 65.15705 30.85140 -7.828613      41.56857 
1 1 1 -27 1  9  o 432.8097 12.24597 5539.749       310.5302 5539.272       439.8573 5540.224       438.4581 430.9320 17.44017 430.9933 17.38197 -0.6130981E-01 24.62300 
1 1 1 -27 1  10 o 207.6663 18.64405 1297.659       224.6543 1487.472       307.1778 1079.385       329.4036 220.6479 24.13075 184.8600 31.51237 35.78787       39.69034 
1 1 1 -27 1  11 o 461.7975 11.78645 6305.548       318.9556 6242.475       437.1413 6377.354       466.4239 457.7578 16.30910 462.2612 17.23471 -4.503387      23.72809 
1 1 1 -27 1  12 o 156.9097 22.10068 755.3172       197.7516 831.9263       272.0349 669.4697       287.9709 162.1959 29.69175 143.5877 34.60580 18.60818       45.59782 
1 1 1 -27 1  13 o 277.2357 13.44477 2283.203       217.9497 2124.720       307.3759 2443.455       309.0862 265.3824 19.89388 285.1833 18.58131 -19.80099      27.22190 
1 1 1 -27 1  14 o 368.2155 11.79132 4014.308       254.3050 3922.090       361.1718 4104.979       358.1308 362.0661 17.05682 370.6570 16.51624 -8.590851      23.74281 
1 1 1 -27 1  15 o 581.1177 11.97033 9997.053       407.9630 9910.376       568.1575 10089.31       586.1572 575.7009 16.84568 580.6188 17.23270 -4.917847      24.09861 
1 1 1 -27 1  16 o 228.5501 14.29142 1559.662       190.6024 1483.014       261.4467 1646.611       278.4621 220.7917 20.42198 232.6598 20.62104 -11.86813      29.02214 
1 1 1 -27 1  17 o 340.6774 11.38839 3439.861       227.2195 3233.697       309.4109 3681.186       334.7574 328.5545 16.10658 350.4973 16.33016 -21.94284      22.93678 
1 1 1 -27 1  18 o 425.3923 10.84251 5358.501       270.2813 5800.217       389.4209 4947.948       375.4336 440.5979 15.09274 406.5518 15.77581 34.04614       21.83270 
1 1 1 -27 1  19 o 70.08097 27.27379 105.2493       161.1311 197.9286       222.6485 3.328779       233.4852 86.76195 32.46815 70.73971 30.61433 16.02224       44.62531 
1 1 1 -27 1  20 o 134.8408 20.34243 562.9173       155.8693 606.7412       218.8368 517.7914       222.0636 137.1260 28.15490 125.6707 30.45249 11.45535       41.47351 
1 1 1 -27 1  21 o 60.14788 25.09902 35.32168       147.3749 -70.42558      199.4651 162.4467       218.6995 60.12900 27.03747 82.35669 31.85073 -22.22769      41.77910 
1 1 1 -27 1  22 o 228.9872 13.63599 1571.072       182.2959 1721.521       259.0589 1423.500       256.5699 237.5415 18.74740 215.0044 20.59898 22.53706       27.85289 
1 1 1 -27 1  23 o 256.4062 11.98119 1961.877       179.6703 1846.904       244.4846 2096.884       264.9294 246.6012 17.00883 262.6772 17.29337 -16.07605      24.25615 
1 1 1 -27 1  24 o 124.5915 20.46490 488.6120       144.3497 563.1055       205.1597 415.5796       203.1378 130.6735 27.63510 111.0528 30.33673 19.62063       41.03676 
1 1 1 -27 1  25 o 252.9660 11.61801 1915.342       171.9029 2087.086       238.6874 1730.260       247.7824 261.9841 15.60546 237.0869 17.95364 24.89720       23.78789 
1 1 1 -27 1  26 o 61.25039 24.56822 74.43087       134.4018 -17.10826      191.0937 164.0396       189.0681 61.09276 27.02944 77.44457 29.70217 -16.35181      40.15980 
1 1 1 -27 1  27 o 39.64887 19.04687 -167.3899      128.9261 -341.5204      181.9370 8.249879       182.7238 42.21436 20.78665 61.40799 26.82273 -19.19363      33.93440 
1 1 1 -27 1  28 o 80.44234 24.61512 215.9031       126.9644 328.7171       183.9768 113.3189       175.4371 96.67302 29.64002 69.73599 28.03561 26.93703       40.79860 
1 1 1 -27 1  29 o 301.1364 10.36535 2720.834       182.7889 2702.235       254.9185 2740.516       262.2420 296.7408 14.69354 298.5372 15.02630 -1.796387      21.01642 
1 1 1 -27 1  30 o 100.0391 22.13684 334.9558       126.4369 268.0963       174.6349 408.6124       183.2970 87.41849 29.10451 106.7906 28.66779 -19.37215      40.85234 
1 1 1 -27 1  31 o 268.7376 10.73154 2179.383       168.7978 2284.381       240.4340 2077.333       237.0346 271.3708 15.16749 258.2195 15.72667 13.15140       21.84905 
1 1 1 -27 1  32 o 143.5318 16.15914 651.8543       133.6636 821.0495       186.7842 474.2745       191.3564 157.8072 20.67900 113.4538 28.73310 44.35342       35.40074 
1 1 1 -27 1  33 o 144.8574 15.80156 663.9787       132.0688 721.2351       185.8061 605.5142       187.7562 145.9779 22.41876 131.1979 25.31870 14.78004       33.81771 
1 1 1 -27 1  34 f 171.7401 14.09742 920.8790       140.7426 969.4930       193.9835 866.8437       204.5140 171.5431 19.63487 159.5206 22.48311 12.02249       29.84993 
1 1 1 -27 1  35 o 45.40851 21.02583 -66.39404      132.6307 70.76804       192.1996 -191.0882      183.2561 64.06223 27.75020 46.83183 22.55134 17.23039       35.75803 
1 1 1 -27 1  36 f 80.46207 25.35876 238.8965       133.6467 59.20632       192.2705 406.8773       185.9004 62.62606 27.43079 101.2807 29.50516 -38.65461      40.28651 
1 1 1 -27 1  37 o 66.76016 24.49379 151.3404       125.5803 141.3829       173.8736 162.1990       181.5710 68.04589 27.70902 70.57008 28.46850 -2.524185      39.72714 
1 1 1 -27 1  38 o 104.9326 23.59553 400.4585       141.6735 361.9798       197.4972 441.2491       203.3438 92.65353 30.95341 102.3425 31.11885 -9.688942      43.89187 
1 1 1 -27 1  39 o 59.07898 25.16870 75.12887       153.2169 118.6498       222.1045 35.61344       211.6371 67.96462 29.63148 61.46198 27.72468 6.502647       40.57934 
1 1 1 -27 1  40 o 51.96320 23.50466 -5.642952      153.3462 -168.6335      235.3824 114.5437       202.1254 53.11378 25.57174 65.96306 28.51565 -12.84927      38.30217 
1 1 1 -27 2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 2  2  o 397.7439 17.37445 4712.640       404.3117 5221.401       568.3224 4191.294       575.3076 416.1133 23.38209 371.1502 26.60668 44.96304       35.42086 
1 1 1 -27 2  3  o 478.5714 16.63790 6810.873       466.2669 6841.950       650.9701 6778.131       668.1683 476.4604 23.36740 473.8076 24.12488 2.652771       33.58638 
1 1 1 -27 2  4  f 731.0477 28.91415 16311.92       1237.226 0.000000       0.000000 16311.92       1237.226 ?        ?        731.0477 28.91415 0.000000       28.91415 
1 1 1 -27 2  5  o 305.0164 18.97618 2785.158       337.7740 2060.962       455.0013 3674.215       504.1378 257.8108 30.69471 348.0671 24.86020 -90.25635      39.49930 
1 1 1 -27 2  6  o 318.5318 18.15516 3032.076       337.7545 3081.923       458.6266 2973.002       499.2717 318.6276 24.73651 311.6254 27.60351 7.002197       37.06546 
1 1 1 -27 2  7  o 58.41295 27.20094 -192.2394      226.8522 -389.3375      311.5262 30.26117       330.9931 62.87589 30.04461 86.32327 36.89024 -23.44739      47.57697 
1 1 1 -27 2  8  o 122.4121 30.46649 477.2103       217.8542 708.3752       295.9176 203.6607       321.9051 148.2708 34.65568 97.83778 38.41106 50.43307       51.73418 
1 1 1 -27 2  9  o 109.3151 31.53503 377.7546       213.3107 394.5667       288.2360 357.3978       317.1691 113.3154 37.37937 110.9317 39.14734 2.383736       54.12700 
1 1 1 -27 2  10 o 114.2796 30.29458 415.9682       206.3001 58.14734       276.6503 864.1939       309.6327 81.55012 34.23360 164.3081 33.27429 -82.75802      47.74011 
1 1 1 -27 2  11 o 365.1287 12.34966 3946.943       264.0743 3951.943       365.3007 3941.471       382.1862 363.7546 17.17193 362.9419 18.01135 0.8127747      24.88542 
1 1 1 -27 2  12 o 97.27079 30.20843 293.2022       190.3729 196.6986       265.4266 395.4393       273.1975 91.64743 35.18160 112.4602 36.34625 -20.81277      50.58453 
1 1 1 -27 2  13 o 270.1427 13.80967 2169.797       218.0638 1896.416       300.5942 2473.493       316.8230 250.3483 20.65684 286.7881 18.94279 -36.43985      28.02739 
1 1 1 -27 2  14 o 76.03310 29.42254 125.1347       186.7067 297.1691       260.0529 -57.87885      268.2228 100.8950 35.46093 72.12673 31.96148 28.76829       47.73902 
1 1 1 -27 2  15 o 268.3641 13.68004 2143.744       214.5987 2232.264       299.0240 2049.733       308.1590 272.0711 18.85683 260.0585 20.36711 12.01257       27.75607 
1 1 1 -27 2  16 o 280.5444 12.78565 2339.500       209.8127 1988.858       283.0571 2767.084       312.5737 256.5217 18.94855 303.3571 17.64519 -46.83542      25.89209 
1 1 1 -27 2  17 o 452.1192 11.05611 6048.876       293.1607 5921.665       407.1295 6185.861       422.4801 445.0797 15.62134 454.7761 15.86440 -9.696411      22.26444 
1 1 1 -27 2  18 o 389.7439 13.63711 4524.596       311.2307 5205.622       637.0406 4311.080       356.6983 409.3231 26.68234 379.2801 16.07223 30.04303       31.14906 
1 1 1 -27 2  19 o 250.9677 12.83602 1876.641       188.3015 1742.757       257.9946 2029.264       275.4597 239.7886 18.48825 258.9496 18.25511 -19.16100      25.98200 
1 1 1 -27 2  20 o 109.0312 25.27791 381.1018       158.4845 430.7528       219.0631 326.5749       229.5676 114.4352 31.60053 101.4636 33.35372 12.97160       45.94632 
1 1 1 -27 2  21 o 372.4629 10.99538 4116.550       239.9210 4298.630       339.0852 3934.009       339.5142 378.5439 15.30518 361.7047 16.04484 16.83923       22.17398 
1 1 1 -27 2  22 o 248.5413 12.73480 1845.239       185.0082 1666.207       258.9387 2031.945       264.4299 233.4846 19.07598 258.7681 17.52748 -25.28348      25.90571 
1 1 1 -27 2  23 f 253.4112 12.12080 1917.416       179.6166 1985.562       255.1428 1850.460       252.9045 255.6431 17.11624 246.5057 17.60958 9.137360       24.55733 
1 1 1 -27 2  24 o 41.62761 20.02881 -197.8150      143.8565 -154.1276      194.7237 -250.3098      213.4513 53.55906 25.02681 51.91297 24.82336 1.646088       35.24969 
1 1 1 -27 2  25 o 126.4792 20.31845 506.2442       145.6134 517.0939       200.2509 494.0704       212.1180 124.0385 28.17183 120.2101 30.14535 3.828415       41.26008 
1 1 1 -27 2  26 o 254.7473 11.42535 1945.879       170.2641 1874.278       239.0579 2019.593       242.5600 247.0143 16.59811 256.7244 16.19272 -9.710052      23.18839 
1 1 1 -27 2  27 o 79.26546 24.84921 206.7255       128.4961 145.3657       186.3497 262.3462       177.4207 74.55875 29.23906 88.19789 29.33496 -13.63914      41.41814 
1 1 1 -27 2  28 o 96.62563 23.41192 312.9269       131.2622 310.4667       183.3113 315.5157       188.0449 94.13783 29.70312 94.75071 30.10763 -0.6128845     42.29355 
1 1 1 -27 2  29 o 89.26919 23.98520 270.5347       128.2393 146.2950       181.2622 395.0367       181.4535 73.30080 28.80972 105.5087 28.60975 -32.20789      40.60194 
1 1 1 -27 2  30 o 135.7016 16.90108 580.9103       131.6015 489.3478       187.4632 669.8806       184.7907 117.7897 27.61892 141.9121 22.98871 -24.12238      35.93446 
1 1 1 -27 2  31 o 305.4342 11.91980 2833.161       213.1093 2944.762       305.9511 2727.987       297.0118 305.8854 17.12300 294.1863 17.29100 11.69916       24.33466 
1 1 1 -27 2  32 o 49.54227 21.71847 1.502832       120.7592 198.1943       174.8210 -177.9952      167.0055 77.01069 28.78018 45.52385 21.81879 31.48684       36.11591 
1 1 1 -27 2  33 o 89.56575 28.38945 297.3017       167.2838 410.6012       184.1528 -237.5061      400.0950 104.5558 29.01214 69.16796 33.31071 35.38783       44.17361 
1 1 1 -27 2  34 o 56.02547 23.47264 55.35220       129.6705 -88.10565      176.0875 225.3142       191.6648 51.41605 23.95018 79.53466 30.04692 -28.11861      38.42432 
1 1 1 -27 2  35 f 109.9267 21.70461 416.7111       134.9604 421.0463       188.4713 412.1487       193.3479 103.8271 29.54439 102.0919 30.18584 1.735229       42.23809 
1 1 1 -27 2  36 o 76.14728 25.28939 211.3658       131.8704 250.0762       184.0336 170.5149       189.0534 80.77741 29.64887 72.17424 29.07264 8.603172       41.52438 
1 1 1 -27 2  37 o 125.9389 18.46712 528.4014       132.3478 587.0857       173.8599 447.5355       204.0898 127.8295 24.07392 104.0433 31.07530 23.78616       39.30939 
1 1 1 -27 2  38 o 125.4041 19.32238 533.1068       137.5518 616.4966       181.9385 421.8478       210.1529 129.6434 24.83281 99.02434 31.86669 30.61905       40.39993 
1 1 1 -27 2  39 o 42.53513 20.35654 -133.7193      144.2091 -202.6069      201.2840 -61.06809      206.7093 47.89481 23.20224 55.22504 25.79880 -7.330223      34.69758 
1 1 1 -27 2  40 o 66.59713 26.49297 149.5743       154.9897 177.5440       214.1444 118.8048       224.6067 71.64912 30.10075 67.58491 29.62411 4.064217       42.23320 
1 1 1 -27 3  1  o 385.0254 17.22824 4415.511       388.0426 4272.644       524.6943 4587.989       576.5081 376.0461 23.91503 388.9977 25.40923 -12.95169      34.89352 
1 1 1 -27 3  2  o 581.3052 17.09123 10052.54       582.0444 9898.069       796.8736 10229.20       852.1766 573.0180 23.76371 581.6703 25.03920 -8.652283      34.52065 
1 1 1 -27 3  3  o 448.6975 14.15870 5965.209       372.1205 6066.794       598.9117 5901.333       474.9156 448.8416 22.82694 444.7774 18.24510 4.064148       29.22247 
1 1 1 -27 3  4  o 623.5537 18.25664 11591.73       666.9257 0.000000       0.000000 11591.73       666.9257 ?        ?        623.5537 18.25664 0.000000       18.25664 
1 1 1 -27 3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 3  6  o 118.4378 37.28189 439.9912       288.9507 545.3262       368.8892 272.7497       464.8164 131.0759 42.22347 114.4664 45.76531 16.60953       62.26785 
1 1 1 -27 3  7  o 335.4525 14.79545 3341.967       290.3622 3575.163       454.5953 3181.269       377.3713 344.1158 22.65122 325.6255 19.85497 18.49030       30.12138 
1 1 1 -27 3  8  o 182.1740 21.33792 1008.222       223.6610 1314.842       306.1858 657.4318       327.4974 206.8509 25.79853 142.0057 38.40585 64.84521       46.26633 
1 1 1 -27 3  9  f 506.5973 11.90711 7581.465       353.7691 7561.566       484.9549 7604.100       517.2116 504.0042 16.42848 504.9190 17.49252 -0.9148865     23.99757 
1 1 1 -27 3  10 o 106.2551 30.67400 356.7002       201.7546 422.7532       267.8859 270.1302       306.6812 115.6182 35.82261 101.9785 38.11732 13.63972       52.30859 
1 1 1 -27 3  11 o 145.5611 24.41581 657.5972       201.0596 903.7821       273.8246 369.5915       296.1709 169.7345 28.51781 110.7312 37.90111 59.00330       47.43163 
1 1 1 -27 3  12 o 342.0558 12.16612 3464.718       243.6731 3540.260       341.7910 3386.634       347.4913 344.1902 16.98458 336.3593 17.67735 7.830994       24.51458 
1 1 1 -27 3  13 o 225.9392 15.58426 1525.768       205.2389 1550.129       280.0075 1497.485       301.7091 225.8914 21.39067 221.1541 23.62738 4.737289       31.87183 
1 1 1 -27 3  14 o 202.5282 16.93321 1232.763       199.2901 1097.424       272.9787 1387.219       291.6216 188.1556 25.38478 212.5228 23.80581 -24.36720      34.80091 
1 1 1 -27 3  15 o 204.2129 16.21808 1252.142       192.6433 949.4703       257.8810 1634.317       289.7777 174.3342 26.01757 231.5280 21.58968 -57.19380      33.80870 
1 1 1 -27 3  16 o 197.8858 16.14121 1177.084       185.7016 1166.822       253.2907 1189.012       273.0663 194.7776 22.59182 195.9554 24.27976 -1.177826      33.16470 
1 1 1 -27 3  17 o 297.9897 11.74480 2634.914       204.8547 2712.624       280.3151 2545.840       300.1138 300.8804 15.94244 290.7419 17.68424 10.13849       23.80953 
1 1 1 -27 3  18 o 373.5235 12.01929 4142.156       262.9551 3580.793       389.0634 4614.223       356.7798 343.8795 19.36970 392.6620 15.52342 -48.78253      24.82261 
1 1 1 -27 3  19 o 158.1286 18.00177 761.7067       163.9771 845.3393       227.6594 671.5415       236.3837 164.2940 24.36438 144.2520 28.94859 20.04207       37.83707 
1 1 1 -27 3  20 o 191.9671 15.08502 1108.279       168.4700 1082.742       231.8822 1136.829       245.1784 187.3667 21.49056 191.7269 22.21528 -4.360168      30.90894 
1 1 1 -27 3  21 o 278.1933 12.06005 2304.123       196.2968 2215.072       263.7758 2414.650       293.8669 270.8973 16.68368 282.3107 17.84020 -11.41336      24.42576 
1 1 1 -27 3  22 o 345.1731 11.87115 3547.405       239.9570 3373.585       363.6841 3681.410       319.3271 332.8939 18.70329 349.7287 15.60808 -16.83484      24.36032 
1 1 1 -27 3  23 o 51.62073 23.29009 -60.31580      149.4350 7.429492       198.7030 -148.5156      226.7246 65.24346 28.23890 59.29734 27.46855 5.946117       39.39488 
1 1 1 -27 3  24 o 290.2632 11.13249 2512.171       189.1598 2629.664       265.0669 2390.240       270.0268 294.7887 15.38508 280.3645 16.49516 14.42426       22.55640 
1 1 1 -27 3  25 o 231.2550 12.06822 1604.758       163.1096 1852.078       227.6122 1343.679       233.8582 246.5059 15.82773 207.8031 19.41357 38.70277       25.04803 
1 1 1 -27 3  26 o 194.0951 13.32268 1140.996       150.7352 1284.637       208.9232 985.0464       217.6904 203.6183 17.66997 175.8326 21.56076 27.78575       27.87642 
1 1 1 -27 3  27 o 58.05526 23.53337 62.53099       124.7510 -45.51028      167.3693 197.5889       187.1290 54.85620 24.70802 80.37222 29.82658 -25.51603      38.73127 
1 1 1 -27 3  28 o 223.6108 11.67006 1508.568       152.5144 1469.850       217.3428 1546.128       214.0704 217.1964 17.20288 223.3381 16.45906 -6.141693      23.80839 
1 1 1 -27 3  29 o 42.63422 19.87132 -90.03999      121.5045 -48.25161      173.4157 -130.3372      170.2935 55.10490 24.95374 49.36338 23.17461 5.741524       34.05513 
1 1 1 -27 3  30 o 125.0392 18.69477 502.1129       132.8914 586.6462       189.5336 420.3694       186.3797 130.7135 25.64022 108.0895 28.85960 22.62405       38.60437 
1 1 1 -27 3  31 o 164.0491 14.49774 834.8753       138.0499 895.6809       196.9525 776.1489       193.5559 165.4366 20.75479 152.7263 22.26405 12.71025       30.43762 
1 1 1 -27 3  32 o 226.9043 11.12021 1562.727       147.5304 1588.904       206.7785 1535.585       210.5517 225.0116 15.76914 220.6133 16.39043 4.398346       22.74449 
1 1 1 -27 3  33 o 64.76048 23.80323 130.4707       118.6852 163.7803       161.8135 91.68523       174.6083 71.82489 27.49535 65.16509 27.26544 6.659798       38.72206 
1 1 1 -27 3  34 o 152.4529 14.62325 730.4340       129.1453 796.6231       176.1776 653.5584       189.8679 155.1434 19.81436 136.2728 24.66479 18.87057       31.63797 
1 1 1 -27 3  35 o 134.9176 17.19782 591.1760       132.9905 534.6619       178.0737 662.4504       199.9805 121.1984 25.84218 134.9271 26.21680 -13.72871      36.81221 
1 1 1 -27 3  36 o 41.58284 19.72611 -111.7230      129.4136 -364.7210      179.5847 161.5945       186.6571 39.48457 19.65297 71.11923 28.80176 -31.63466      34.86805 
1 1 1 -27 3  37 o 144.5329 16.46918 678.0163       137.1135 925.1272       188.9703 403.2793       199.2536 165.6217 19.84971 98.67153 30.94513 66.95013       36.76428 
1 1 1 -27 3  38 o 106.4835 22.27378 403.8719       134.6218 292.7375       176.1396 559.9771       208.7572 85.01569 29.22449 117.2566 30.17996 -32.24088      42.01072 
1 1 1 -27 3  39 o 62.71764 25.15533 119.6105       140.8939 231.3768       192.6375 -8.948048      206.6028 76.87421 29.84822 58.17476 26.68474 18.69945       40.03738 
1 1 1 -27 3  40 f 70.73729 26.12902 186.0035       143.3091 96.68602       196.3640 287.7916       209.6246 64.08625 27.90222 81.96317 31.31502 -17.87691      41.94240 
1 1 1 -27 4  1  o 215.6318 24.91778 1420.027       309.3268 1282.704       404.9521 1612.398       479.2930 200.7142 35.71025 224.6464 37.71421 -23.93221      51.93826 
1 1 1 -27 4  2  o 99.21830 36.88924 251.7852       286.4923 183.3415       379.0905 342.9347       437.4753 101.7040 41.09696 117.5625 45.15741 -15.85848      61.05859 
1 1 1 -27 4  3  o 936.0554 23.34371 26359.84       1281.510 0.000000       0.000000 26359.84       1281.510 ?        ?        936.0554 23.34371 0.000000       23.34371 
1 1 1 -27 4  4  f 494.3245 13.61167 7234.594       394.2397 6384.706       593.7952 7904.550       527.2045 460.7802 22.03703 515.1421 17.47555 -54.36194      28.12518 
1 1 1 -27 4  5  o 111.7359 34.28341 390.7461       246.0788 600.9860       351.0039 187.5340       345.0875 136.2959 40.76368 98.81229 39.45770 37.48363       56.73260 
1 1 1 -27 4  6  o 269.4496 17.14939 2168.270       269.5982 2307.190       400.2311 2052.876       364.7703 275.2235 25.07053 259.8220 24.21717 15.40149       34.85689 
1 1 1 -27 4  7  o 232.7472 18.90226 1627.097       255.7981 1396.406       372.7377 1832.466       351.6859 211.2615 31.00594 245.0777 24.80947 -33.81616      39.70993 
1 1 1 -27 4  8  o 67.37292 28.80366 7.611040       201.9360 -20.49051      265.8717 45.92408       310.4419 74.67066 32.48938 84.83755 35.97187 -10.16689      48.47200 
1 1 1 -27 4  9  o 420.7728 12.01854 5235.810       296.2816 5277.390       401.5676 5186.133       438.9321 420.9639 16.29613 416.5984 18.00761 4.365448       24.28657 
1 1 1 -27 4  10 o 255.1086 14.78944 1937.617       220.3239 1814.319       289.9341 2106.123       338.9451 245.1766 20.34677 263.6160 22.12737 -18.43939      30.06013 
1 1 1 -27 4  11 o 289.6870 13.41679 2491.153       227.3249 2606.877       312.5191 2361.124       331.2718 294.8806 18.15899 279.8050 20.32591 15.07559       27.25603 
1 1 1 -27 4  12 o 81.53523 29.68735 174.5362       183.9558 248.2431       246.5212 81.92770       276.3286 95.07702 34.40300 83.04035 34.48687 12.03667       48.71253 
1 1 1 -27 4  13 o 208.2533 16.52867 1300.780       200.2192 1258.909       266.2593 1355.265       303.7323 202.8436 22.77461 209.6018 25.21420 -6.758133      33.97703 
1 1 1 -27 4  14 o 233.2761 15.09942 1625.834       205.4669 1681.817       275.1093 1555.218       308.9790 235.6224 20.10023 225.0907 23.76395 10.53168       31.12466 
1 1 1 -27 4  15 o 172.3487 19.02555 902.7614       189.1105 802.9946       255.5419 1023.549       281.1777 159.0600 28.43759 180.4725 27.42773 -21.41255      39.50920 
1 1 1 -27 4  16 o 99.66972 27.76536 317.1985       168.3038 402.7615       228.1116 214.9714       249.3373 111.5210 32.73833 91.16631 34.30798 20.35470       47.42189 
1 1 1 -27 4  17 o 401.0565 11.16817 4765.095       262.4310 4468.358       358.5462 5107.494       385.1470 386.3625 15.85709 413.0745 15.92803 -26.71207      22.47553 
1 1 1 -27 4  18 o 310.9282 11.72957 2870.057       213.5076 2826.061       296.3117 2917.565       307.9131 306.6887 16.53520 311.4521 16.92078 -4.763458      23.65852 
1 1 1 -27 4  19 o 222.9016 13.64264 1484.852       177.4912 1515.541       244.3054 1450.546       258.2998 223.3358 18.82712 217.7780 20.46343 5.557755       27.80669 
1 1 1 -27 4  20 o 114.1642 24.24123 415.2991       157.2851 521.1681       213.3402 289.2343       232.8012 126.3627 29.35043 97.16586 33.58951 29.19679       44.60609 
1 1 1 -27 4  21 o 517.3875 12.56380 7966.458       381.2302 8251.568       624.2712 7796.897       481.4259 519.9001 20.51428 509.1942 16.14152 10.70590       26.10334 
1 1 1 -27 4  22 o 102.2354 25.59868 339.0744       153.1267 333.0043       212.7337 345.6010       220.5876 101.0015 32.01466 102.6985 32.60605 -1.696983      45.69565 
1 1 1 -27 4  23 o 61.16164 25.18426 51.50782       145.6493 -74.43444      193.5711 215.8593       221.1269 58.41499 26.41702 87.18459 32.41008 -28.76960      41.81234 
1 1 1 -27 4  24 o 230.3857 12.11317 1589.643       163.0930 1547.403       224.2020 1637.116       237.6848 224.9748 17.12099 231.1348 17.66810 -6.159943      24.60264 
1 1 1 -27 4  25 o 249.7845 11.42976 1867.950       166.9938 1837.938       226.9697 1903.371       246.5766 245.4592 15.85136 249.1031 16.97955 -3.643997      23.22866 
1 1 1 -27 4  26 o 226.2448 11.67533 1538.270       154.3927 1776.697       214.9925 1284.372       221.8579 241.1525 15.27988 202.7304 18.87665 38.42213       24.28586 
1 1 1 -27 4  27 o 43.70481 20.21164 -80.25163      121.9912 -232.1182      165.9826 98.15012       179.8999 43.71387 21.15110 68.94132 28.14310 -25.22745      35.20516 
1 1 1 -27 4  28 o 187.9296 12.57548 1071.953       137.8046 1193.877       200.3514 962.4829       189.8431 195.2376 17.68937 174.4051 18.85998 20.83244       25.85754 
1 1 1 -27 4  29 o 115.1610 19.47912 428.3862       126.8742 518.9155       171.2540 318.2454       188.8949 123.9853 24.42083 94.37871 30.19631 29.60664       38.83547 
1 1 1 -27 4  30 o 73.51785 24.40044 178.7336       122.7674 205.6564       166.7594 146.8752       181.4019 78.82865 28.32506 72.80022 28.75678 6.028435       40.36411 
1 1 1 -27 4  31 o 171.0794 13.44337 901.2051       133.7999 1012.992       187.0545 784.0832       191.4659 178.0605 18.16648 153.7367 21.85013 24.32382       28.41564 
1 1 1 -27 4  32 o 138.6362 16.12548 609.0276       128.6672 638.0550       180.8641 579.2839       183.0821 136.6871 23.40296 128.7229 25.15377 7.964157       34.35710 
1 1 1 -27 4  33 o 157.1817 14.72929 774.3882       134.1978 879.3237       188.4309 666.3826       191.1675 163.2631 20.10352 138.3479 24.45513 24.91518       31.65762 
1 1 1 -27 4  34 f 119.3043 19.11847 471.0804       129.2543 523.2466       179.3093 414.6535       186.4882 120.1838 26.18180 103.8971 29.32931 16.28670       39.31532 
1 1 1 -27 4  35 f 83.76789 24.89566 255.9902       131.2441 224.4118       178.6764 292.9922       193.4127 78.28054 29.12709 86.41330 30.56345 -8.132759      42.21980 
1 1 1 -27 4  36 o 66.23479 25.76792 139.1505       143.7895 -58.09087      180.3363 483.4129       238.2478 53.02859 24.54130 105.3364 33.93293 -52.30781      41.87743 
1 1 1 -27 4  37 o 130.6002 19.04792 572.3047       141.6019 672.8004       188.0381 440.6646       215.2120 136.6574 24.35504 101.7854 32.19282 34.87205       40.36763 
1 1 1 -27 4  38 o 138.2021 18.47221 639.7050       145.9755 501.1685       190.8891 834.8204       226.5398 112.0462 28.87012 148.5264 27.00132 -36.48028      39.52917 
1 1 1 -27 4  39 o 84.43560 26.69303 279.1784       147.9754 269.5802       190.7195 293.6957       234.5538 81.11592 30.10971 82.79961 32.70170 -1.683693      44.45217 
1 1 1 -27 4  40 o 55.05447 24.05836 42.76569       147.1451 8.923084       195.0975 87.41457       224.0914 57.66767 26.25309 65.23879 29.04396 -7.571121      39.15069 
1 1 1 -27 5  1  o 493.3674 16.68144 7240.402       481.9805 7533.235       663.2483 6912.710       701.6154 500.2826 22.66416 477.7839 25.12733 22.49866       33.83854 
1 1 1 -27 5  2  o 610.7696 17.46775 11107.56       625.0557 10471.60       822.5594 11976.59       961.5498 589.1550 23.85537 628.3758 26.14881 -39.22083      35.39547 
1 1 1 -27 5  3  o 521.2979 17.48873 8095.146       533.9239 0.000000       0.000000 8095.146       533.9239 ?        ?        521.2979 17.48873 0.000000       17.48873 
1 1 1 -27 5  4  o 916.8794 22.98237 25301.36       1234.853 0.000000       0.000000 25301.36       1234.853 ?        ?        916.8794 22.98237 0.000000       22.98237 
1 1 1 -27 5  5  o 344.1721 14.40305 3515.094       290.0812 3464.903       431.2695 3556.563       392.0086 339.1325 21.79892 344.5243 19.48042 -5.391846      29.23491 
1 1 1 -27 5  6  o 294.9577 15.76269 2590.070       271.6817 2818.192       403.4977 2400.878       367.4581 305.3079 22.69710 281.7800 22.42025 23.52786       31.90339 
1 1 1 -27 5  7  o 217.1592 18.81930 1417.842       237.3165 1625.038       332.4655 1202.601       338.8583 230.5343 24.98926 195.9227 30.48142 34.61159       39.41548 
1 1 1 -27 5  8  o 325.8244 14.01498 3150.853       267.1836 3460.047       401.0770 2904.166       358.2490 339.2977 20.24772 310.9404 19.74726 28.35730       28.28294 
1 1 1 -27 5  9  o 230.3863 16.06709 1585.604       215.7318 1571.385       281.6807 1605.776       335.5126 227.7652 21.33556 228.7628 25.43730 -0.9976501     33.20033 
1 1 1 -27 5  10 o 65.73140 28.19115 3.317096       194.5664 -63.98897      256.6403 94.28855       298.3666 70.35274 31.21486 86.63869 35.89558 -16.28595      47.56954 
1 1 1 -27 5  11 o 240.7707 15.04146 1728.577       211.3339 1736.512       277.9615 1717.705       325.3428 239.8365 19.94170 237.1391 23.71069 2.697403       30.98174 
1 1 1 -27 5  12 o 127.6292 25.88120 512.9180       187.0882 494.3209       245.8130 538.5233       288.4340 123.6337 33.20260 128.5096 36.54276 -4.875908      49.37394 
1 1 1 -27 5  13 o 124.3906 26.55831 490.0626       187.8530 483.6126       248.1953 498.7130       287.4309 122.1108 33.60342 123.8068 36.85431 -1.695992      49.87414 
1 1 1 -27 5  14 o 409.6450 11.65758 4969.406       279.7853 4918.107       392.6371 5022.324       398.7868 405.5205 16.54401 409.7603 16.62890 -4.239777      23.45687 
1 1 1 -27 5  15 o 150.8203 21.03990 699.7033       181.0449 616.5563       240.4344 808.5798       275.1313 138.1445 30.49381 158.6073 30.68745 -20.46288      43.26190 
1 1 1 -27 5  16 o 270.8691 13.02098 2183.265       206.2433 2302.695       286.0607 2053.981       297.6273 276.5024 17.73391 260.2990 19.64110 16.20340       26.46251 
1 1 1 -27 5  17 o 426.8174 13.37311 5421.118       334.3403 5749.774       399.0129 4646.501       612.5747 438.4627 15.54144 386.3405 27.20978 52.12228       31.33541 
1 1 1 -27 5  18 o 238.3193 13.44848 1695.015       187.2048 1514.354       247.8587 1934.946       285.6378 223.2226 19.11669 252.3554 19.44976 -29.13272      27.27162 
1 1 1 -27 5  19 o 132.3769 22.48337 548.6407       168.3144 698.4904       220.3720 338.8360       260.7571 148.2037 26.31808 104.0388 35.56431 44.16483       44.24321 
1 1 1 -27 5  20 o 287.4126 11.65823 2455.563       196.1042 2432.613       262.1495 2484.724       295.5030 284.4738 15.77467 286.6299 17.66464 -2.156158      23.68290 
1 1 1 -27 5  21 o 296.6534 11.82315 2619.333       205.2874 2491.706       278.0601 2772.245       304.3597 287.2802 16.57410 302.7307 17.21368 -15.45050      23.89585 
1 1 1 -27 5  22 o 309.6259 11.63866 2855.011       210.9682 2751.490       286.0867 2978.410       312.3482 301.7797 16.22395 313.5322 17.05076 -11.75247      23.53604 
1 1 1 -27 5  23 o 91.35815 25.89001 271.5423       145.0280 334.3777       190.4488 184.8079       223.7544 100.4506 30.02277 84.04138 32.29169 16.40919       44.09217 
1 1 1 -27 5  24 o 246.5276 11.66709 1817.899       168.2072 1751.309       223.8083 1904.338       254.9927 239.8994 15.99874 249.2933 17.55301 -9.393982      23.75011 
1 1 1 -27 5  25 o 205.9415 12.53201 1277.096       150.6449 1182.470       203.5700 1391.645       223.9772 195.4682 17.95826 212.0261 18.18762 -16.55788      25.55951 
1 1 1 -27 5  26 o 175.1842 13.51785 932.4185       137.8107 845.5034       190.7092 1027.404       199.3665 163.2410 20.36160 180.9326 19.07489 -17.69162      27.90065 
1 1 1 -27 5  27 o 93.74565 23.23535 293.2031       127.0991 370.7911       174.6290 205.8062       185.3392 103.3092 28.08894 81.04958 29.75301 22.25957       40.91735 
1 1 1 -27 5  28 o 151.2608 15.30935 708.1759       133.9427 780.7869       187.1812 631.9780       191.7487 155.4363 21.07579 137.2912 24.72351 18.14508       32.48755 
1 1 1 -27 5  29 o 82.48432 24.48433 230.9887       127.0047 290.0287       172.8209 161.6625       187.2715 90.73393 28.86688 75.25269 29.36971 15.48124       41.18103 
1 1 1 -27 5  30 o 131.5056 16.99793 547.6173       128.0328 577.6259       173.3239 511.5765       189.9473 131.0509 23.41025 120.2456 27.52987 10.80532       36.13771 
1 1 1 -27 5  31 o 134.1107 22.39521 603.5620       169.9374 717.9424       188.3728 103.5058       393.8687 146.2301 22.70071 83.12538 37.62825 63.10477       43.94550 
1 1 1 -27 5  32 o 203.4776 12.51919 1269.582       148.6742 1327.402       211.7490 1213.364       208.7961 203.5328 17.92216 193.9330 18.58495 9.599884       25.81868 
1 1 1 -27 5  33 o 110.7078 19.82360 407.9637       123.9830 397.8038       178.5182 417.4305       172.3227 102.9428 28.56494 106.4376 27.43291 -3.494781      39.60455 
1 1 1 -27 5  34 o 146.3371 15.41063 679.4739       130.2759 676.5651       182.1705 682.5186       186.3774 139.9493 22.99287 140.1039 23.51489 -0.1545410     32.88803 
1 1 1 -27 5  35 f 43.06105 20.06206 -74.73698      123.6470 34.06750       165.5440 -212.0293      185.9573 58.04105 25.43693 46.21841 22.36887 11.82264       33.87335 
1 1 1 -27 5  36 o 65.16289 24.68403 137.5118       129.5563 30.08097       182.4993 246.6570       183.9497 59.24074 26.30151 80.15697 29.60398 -20.91623      39.60006 
1 1 1 -27 5  37 o 41.78864 19.93800 -126.5797      136.0968 -131.2948      180.4164 -120.3537      207.3148 48.70467 23.15818 52.84735 25.03966 -4.142681      34.10698 
1 1 1 -27 5  38 o 50.06734 22.75542 -21.38677      145.8202 -60.68275      189.6253 35.47707       228.1079 53.38443 24.86262 63.04944 28.57853 -9.665009      37.87984 
1 1 1 -27 5  39 o 124.5410 26.89374 595.1583       190.6764 634.4009       209.9851 410.7322       455.2195 126.1720 28.98768 88.33412 40.17025 37.83785       49.53720 
1 1 1 -27 6  1  o 264.3071 21.06730 2105.004       323.8632 2172.742       407.9174 1989.494       532.6768 266.5396 26.44345 249.8864 37.50364 16.65317       45.88876 
1 1 1 -27 6  2  o 203.9420 21.89940 1261.396       257.8341 1319.464       377.7777 1210.761       352.7705 204.7679 32.54532 196.3092 31.72219 8.458664       45.44772 
1 1 1 -27 6  3  o 474.3334 17.34790 6703.860       481.7803 0.000000       0.000000 6703.860       481.7803 ?        ?        474.3334 17.34790 0.000000       17.34790 
1 1 1 -27 6  4  o 487.0599 24.64503 7182.990       701.6951 0.000000       0.000000 7182.990       701.6951 ?        ?        487.0599 24.64503 0.000000       24.64503 
1 1 1 -27 6  5  o 92.43367 33.14270 232.6923       228.1744 499.6490       330.0369 -11.74167      315.8078 125.5613 39.88527 81.79144 35.50002 43.76984       53.39556 
1 1 1 -27 6  6  f 244.1829 16.48236 1780.498       234.6567 1632.529       322.3564 1947.290       342.2453 231.3891 24.10745 253.2105 23.30786 -21.82143      33.53246 
1 1 1 -27 6  7  f 118.0949 30.36751 444.5334       211.4939 727.9819       280.8878 73.47118       321.3802 150.7784 32.70734 87.91187 36.90040 62.86655       49.30933 
1 1 1 -27 6  8  o 69.89149 29.42749 32.31918       205.3874 31.26094       273.9400 33.67774       310.3852 79.22486 33.69917 83.86420 35.77809 -4.639343      49.14983 
1 1 1 -27 6  9  o 340.7625 13.53392 3444.896       269.9362 3529.546       394.5239 3370.387       370.1370 342.7316 19.71080 335.2153 18.90391 7.516266       27.31068 
1 1 1 -27 6  10 o 288.4720 13.47622 2470.741       227.3632 2555.714       304.5912 2363.819       341.6749 292.0499 17.86872 279.6958 20.98233 12.35410       27.55993 
1 1 1 -27 6  11 o 321.2949 12.75267 3060.819       239.8236 3026.807       323.2183 3102.482       357.7241 318.0013 17.39698 321.3119 19.06903 -3.310608      25.81245 
1 1 1 -27 6  12 o 114.6956 28.27281 419.8698       188.9487 530.1144       239.7645 239.2028       306.9345 128.0740 32.01139 98.75494 37.85221 29.31907       49.57337 
1 1 1 -27 6  13 o 141.0878 23.90593 620.0513       190.7533 467.5157       252.4315 823.0991       291.2441 119.9998 34.20699 159.8374 32.18368 -39.83758      46.96709 
1 1 1 -27 6  14 o 330.9505 15.17269 3269.096       293.7102 3366.840       365.5569 3091.079       493.3329 334.3571 18.71677 315.9511 26.87870 18.40607       32.75335 
1 1 1 -27 6  15 o 181.0422 17.79715 991.8240       186.5248 1063.971       247.2388 896.5111       284.1728 185.6405 23.21485 167.3940 30.05050 18.24652       37.97318 
1 1 1 -27 6  16 o 174.3072 18.01653 921.6473       181.5262 830.9891       242.6911 1036.779       273.4940 162.3777 26.38983 181.7220 26.43661 -19.34427      37.35395 
1 1 1 -27 6  17 o 289.7318 14.47740 2508.185       245.2220 2818.679       284.1063 1601.051       485.6129 306.6251 15.85257 218.4475 39.35181 88.17761       42.42487 
1 1 1 -27 6  18 o 401.9370 11.09636 4788.903       261.3204 4890.771       361.4049 4677.289       378.2993 404.2591 15.27092 394.7292 16.37684 9.529846       22.39201 
1 1 1 -27 6  19 o 293.8080 11.75963 2565.374       202.2226 2709.130       272.3098 2388.615       301.9540 300.4855 15.50459 280.7775 18.43903 19.70804       24.09129 
1 1 1 -27 6  20 o 114.2580 25.13674 418.8210       163.8566 388.6567       212.9681 462.5831       256.5176 108.7290 31.55280 117.6350 34.76576 -8.905991      46.94931 
1 1 1 -27 6  21 o 172.9128 17.10214 910.0634       171.1624 995.0261       231.3636 807.3453       254.3923 178.5521 22.59972 157.7893 28.54039 20.76277       36.40469 
1 1 1 -27 6  22 o 211.9193 13.91816 1349.863       172.0253 1361.336       229.4889 1335.147       259.9006 210.7560 18.76249 207.2156 21.70805 3.540359       28.69269 
1 1 1 -27 6  23 o 121.8388 20.76284 468.4149       143.0475 441.8864       189.7157 503.3706       217.7737 115.2570 28.28178 122.1674 30.49268 -6.910416      41.58921 
1 1 1 -27 6  24 o 93.50530 24.00541 286.5516       132.3064 328.2963       174.8292 230.6002       202.4038 98.89327 28.55547 86.62472 31.19576 12.26855       42.29173 
1 1 1 -27 6  25 f 64.88954 24.43309 110.1226       126.4992 206.9552       173.1450 -0.7382978     185.2629 81.54570 28.91055 61.54889 26.94346 19.99681       39.51923 
1 1 1 -27 6  26 o 143.0972 16.78591 636.7426       138.1976 755.1157       187.2466 495.1156       204.8145 153.4310 21.38961 119.2432 29.46087 34.18782       36.40685 
1 1 1 -27 6  27 o 39.96689 19.03020 -136.9799      122.6963 -35.49197      163.0745 -269.3874      186.2666 54.73805 24.54349 45.60429 22.14576 9.133755       33.05779 
1 1 1 -27 6  28 o 67.73190 24.76198 135.8111       128.1694 154.0309       175.4696 114.9713       187.6619 73.81357 28.53425 70.78505 28.80080 3.028519       40.54244 
1 1 1 -27 6  29 f 98.86324 22.85488 329.0605       129.8639 339.7753       177.5860 316.7446       190.3925 97.48981 28.95572 93.92400 30.34100 3.565811       41.94055 
1 1 1 -27 6  30 o 86.28039 24.11852 256.3700       126.7601 289.1257       177.0243 221.9011       181.5948 89.73986 29.27675 81.09748 29.50095 8.642380       41.56242 
1 1 1 -27 6  31 o 62.31308 24.18745 105.1599       126.4699 93.83435       175.5091 117.3924       182.4007 66.04921 27.46211 68.97105 28.26786 -2.921837      39.41116 
1 1 1 -27 6  32 o 186.2695 13.36830 1071.608       145.0677 958.5564       198.5733 1201.002       212.4416 170.7421 20.22246 192.3888 19.07929 -21.64667      27.80228 
1 1 1 -27 6  33 o 154.8737 14.68743 752.7810       131.8112 710.5078       180.5623 801.0103       192.8635 144.9011 21.93258 153.9121 21.99058 -9.011047      31.05839 
1 1 1 -27 6  34 o 82.85929 24.35722 246.7881       126.1945 241.7576       167.7365 253.3489       191.5585 80.84782 28.47424 82.22472 30.23739 -1.376907      41.53411 
1 1 1 -27 6  35 o 48.82114 21.92052 -16.10934      130.5735 -43.76180      176.9772 16.92564       193.4361 53.74520 24.66942 59.87236 26.79682 -6.127163      36.42320 
1 1 1 -27 6  36 o 46.48802 21.24514 -39.54137      129.3512 -70.45155      179.9038 -6.460065      186.1148 52.15769 24.26621 57.00863 25.82999 -4.850941      35.44062 
1 1 1 -27 6  37 o 170.3621 15.67073 933.3942       154.8185 1087.355       219.6832 781.4811       218.2172 177.3649 21.56168 144.5371 26.72722 32.82785       34.34021 
1 1 1 -27 6  38 o 59.36697 24.71618 87.19790       142.4339 154.3147       189.2034 -0.5896743     216.3863 69.27763 28.63251 59.79385 27.38329 9.483780       39.61900 
1 1 1 -27 6  39 o 115.6186 22.68703 480.4263       148.3388 432.3828       197.5692 542.5062       224.5831 100.9516 30.66928 111.4745 32.41705 -10.52289      44.62589 
1 1 1 -27 7  1  o 456.5927 16.68352 6205.999       446.0016 6822.806       589.6694 5381.403       681.7957 476.6415 21.14700 419.5309 27.86819 57.11060       34.98330 
1 1 1 -27 7  2  o 657.5010 17.98012 12891.11       692.6786 12292.85       916.1570 13689.48       1058.347 637.4913 24.55035 670.6813 26.96171 -33.19006      36.46441 
1 1 1 -27 7  3  f 391.3022 18.20524 4574.375       416.6460 0.000000       0.000000 4574.375       416.6460 ?        ?        391.3022 18.20524 0.000000       18.20524 
1 1 1 -27 7  4  o 841.2267 21.39657 21249.09       1054.763 0.000000       0.000000 21249.09       1054.763 ?        ?        841.2267 21.39657 0.000000       21.39657 
1 1 1 -27 7  5  o 406.9252 17.64780 4942.917       420.1669 0.000000       0.000000 4942.917       420.1669 ?        ?        406.9252 17.64780 0.000000       17.64780 
1 1 1 -27 7  6  o 175.5949 21.30691 938.3295       214.9390 862.0328       286.1534 1037.105       325.5901 165.0916 30.68364 181.0109 31.83167 -15.91928      44.21246 
1 1 1 -27 7  7  o 98.76482 31.08961 300.4336       200.9357 147.0018       265.3492 506.6872       307.6528 87.36056 34.69335 125.5597 38.29683 -38.19917      51.67471 
1 1 1 -27 7  8  o 340.4695 13.24948 3437.303       264.0570 3928.027       394.4543 3038.829       355.4499 362.0751 18.63853 318.1628 19.13775 43.91238       26.71420 
1 1 1 -27 7  9  o 177.7914 20.44717 960.4389       209.3264 968.3105       280.5608 950.5551       314.3821 175.9042 28.14406 172.6581 32.23219 3.246094       42.79021 
1 1 1 -27 7  10 o 224.6340 17.15890 1513.462       224.3448 1660.229       304.3875 1338.919       331.9434 233.5224 22.50368 207.3672 28.00995 26.15517       35.93011 
1 1 1 -27 7  11 o 147.6024 23.32075 674.2656       195.1792 760.8564       255.7458 553.4838       302.0460 154.9150 29.22029 130.0506 37.52782 24.86443       47.56219 
1 1 1 -27 7  12 f 217.4652 15.56685 1414.965       197.2236 1397.764       258.6690 1438.851       304.8086 214.4640 20.82747 216.2180 24.46667 -1.754013      32.13100 
1 1 1 -27 7  13 o 331.6364 15.31740 3282.698       297.1142 3612.130       364.1549 2626.712       513.8676 346.7859 17.96625 288.8856 30.80485 57.90030       35.66125 
1 1 1 -27 7  14 o 408.9333 11.50820 4953.505       275.7263 5414.161       395.5338 4518.035       384.5692 425.6293 15.87315 388.2552 16.92980 37.37411       23.20722 
1 1 1 -27 7  15 o 236.9776 14.00028 1676.118       193.7113 1657.587       255.1716 1701.321       297.5934 234.0503 18.74633 235.8947 21.75565 -1.844421      28.71817 
1 1 1 -27 7  16 o 208.3467 15.03837 1301.428       182.5181 1232.016       237.0719 1402.445       285.9965 200.8426 20.40993 213.1950 23.24985 -12.35243      30.93736 
1 1 1 -27 7  17 o 658.5198 14.29943 12925.57       552.2529 12264.71       657.1869 14513.69       1018.771 638.6177 17.56346 685.5700 25.38194 -46.95227      30.86613 
1 1 1 -27 7  18 f 162.8539 19.23318 811.7413       180.1560 856.2129       215.3518 708.0518       328.8324 165.9954 22.71614 144.1450 38.26400 21.85039       44.49895 
1 1 1 -27 7  19 o 263.2319 13.55793 2069.864       208.6011 1871.305       284.1486 2301.964       307.2125 247.7171 19.72135 275.1794 19.15545 -27.46228      27.49296 
1 1 1 -27 7  20 o 95.61287 27.63416 295.0417       163.6586 195.7099       205.0542 469.3522       271.6355 84.53594 31.24986 118.1276 35.97648 -33.59167      47.65355 
1 1 1 -27 7  21 o 244.2506 13.15624 1785.230       187.7640 1841.005       248.4205 1710.909       286.7647 246.2661 17.31042 235.4986 20.98235 10.76755       27.20128 
1 1 1 -27 7  22 o 211.1328 13.59067 1339.247       167.3917 1349.052       225.2003 1327.142       250.2281 209.8041 18.49129 206.8551 20.91314 2.948959       27.91572 
1 1 1 -27 7  23 o 88.78441 25.64789 257.1553       141.0098 385.5410       180.3301 55.11720       226.2177 107.4346 28.25027 72.23918 30.67163 35.19546       41.69924 
1 1 1 -27 7  24 o 164.8766 14.85685 828.2275       142.1207 884.7028       191.0776 758.2985       212.6224 168.1161 19.75646 152.9428 24.53366 15.17339       31.49950 
1 1 1 -27 7  25 f 194.4486 12.93948 1143.050       146.7217 1244.273       198.6859 1021.647       217.5920 200.7571 17.03579 179.4183 21.08053 21.33884       27.10363 
1 1 1 -27 7  26 o 35.23405 17.29844 -229.7551      123.0259 -232.2167      166.2430 -226.7749      182.9199 43.79457 21.18472 47.01647 22.61224 -3.221901      30.98558 
1 1 1 -27 7  27 o 38.68783 18.65812 -173.4870      126.5877 -115.9926      166.4566 -252.3438      194.9433 49.77382 23.21877 47.71136 23.04551 2.062454       32.71402 
1 1 1 -27 7  28 o 196.8240 13.17838 1181.213       151.2450 1016.892       207.1218 1368.926       221.3742 178.0571 20.19022 208.3667 18.30114 -30.30962      27.25026 
1 1 1 -27 7  29 o 97.89942 23.02115 323.9791       129.9422 324.1804       180.7036 323.7635       186.9895 95.00752 29.41903 94.76110 30.01241 0.2464218      42.02647 
1 1 1 -27 7  30 o 78.79763 24.36644 212.4858       124.0125 259.2703       177.7123 168.0790       173.1375 85.54977 29.35653 74.16053 28.42819 11.38924       40.86524 
1 1 1 -27 7  31 o 255.6077 11.82348 1989.725       176.7632 1819.913       224.3010 2268.015       287.1417 240.7855 15.97396 265.9403 18.52617 -25.15477      24.46194 
1 1 1 -27 7  32 o 70.22295 24.13528 164.9689       120.1330 -14.65950      162.0017 384.4281       179.0643 54.63372 24.48228 101.4065 28.77834 -46.77282      37.78326 
1 1 1 -27 7  33 o 44.44614 20.40216 -53.69232      121.0679 -139.1164      164.8224 46.40359       178.4162 46.79461 22.21682 61.25089 26.63298 -14.45628      34.68288 
1 1 1 -27 7  34 o 121.7228 19.44785 493.9622       134.1631 566.4063       180.3792 404.2614       200.7167 125.4895 25.38223 100.5481 30.98307 24.94140       40.05257 
1 1 1 -27 7  35 o 117.6381 20.87299 473.3165       138.7333 430.4470       190.8414 521.3619       202.0338 104.1920 29.75626 115.2229 29.70726 -11.03085      42.04707 
1 1 1 -27 7  36 o 99.18255 24.03827 357.7721       138.3494 343.1164       190.0504 374.2940       201.7881 91.78317 30.35552 94.93530 31.27373 -3.152130      43.58330 
1 1 1 -27 7  37 o 84.25467 26.14839 271.3989       142.6662 218.2230       194.6296 333.1507       209.7375 76.24444 29.88709 88.62272 31.77559 -12.37828      43.62254 
1 1 1 -27 7  38 o 109.8480 24.28823 444.9451       152.3114 522.8835       201.1021 340.0883       233.2593 113.0878 29.87873 87.58979 33.13444 25.49799       44.61647 
1 1 1 -27 7  39 o 77.10880 27.46519 232.4056       156.4307 288.1017       210.0309 163.0191       234.4272 82.41985 31.38019 71.57534 30.82425 10.84451       43.98693 
1 1 1 -27 8  1  o 268.5594 16.19321 2151.043       253.8642 2325.570       365.9445 1989.131       352.4708 277.0885 22.71815 255.7367 23.77285 21.35182       32.88256 
1 1 1 -27 8  2  f 228.0626 18.83511 1563.199       249.6818 1228.349       350.5608 1907.943       355.7021 197.6703 31.27903 250.1031 24.56696 -52.43280      39.77327 
1 1 1 -27 8  3  o 750.7195 28.40177 17245.29       1248.216 0.000000       0.000000 17245.29       1248.216 ?        ?        750.7195 28.40177 0.000000       28.40177 
1 1 1 -27 8  4  o 526.6330 17.41263 8272.009       537.0634 0.000000       0.000000 8272.009       537.0634 ?        ?        526.6330 17.41263 0.000000       17.41263 
1 1 1 -27 8  5  o 257.6675 15.53823 1978.993       233.7162 2316.551       325.4093 1619.342       335.8890 277.3780 20.14077 229.8209 25.34062 47.55711       32.36971 
1 1 1 -27 8  6  o 259.4695 15.41118 2006.544       233.4597 1759.111       316.1503 2303.280       346.2183 240.6003 22.67238 276.0052 21.55954 -35.40482      31.28659 
1 1 1 -27 8  7  o 381.9615 13.14627 4324.372       294.0525 5025.967       447.9271 3793.026       389.8098 409.6245 18.69464 355.7161 18.75147 53.90848       26.47844 
1 1 1 -27 8  8  o 228.4267 16.26505 1560.625       216.4722 1785.664       293.4232 1291.865       320.6629 242.9703 20.79126 203.9499 27.50946 39.02043       34.48256 
1 1 1 -27 8  9  o 324.7101 13.02287 3127.337       247.4976 2871.275       350.7758 3381.188       349.2582 308.9404 19.45880 336.0262 17.78576 -27.08578      26.36244 
1 1 1 -27 8  10 o 279.1371 14.19898 2318.462       231.6841 2421.051       326.4145 2214.305       328.9011 283.3658 19.76527 270.5017 20.89401 12.86417       28.76153 
1 1 1 -27 8  11 o 210.8436 16.71442 1334.396       204.9919 1608.376       282.4552 1029.489       297.9712 230.0795 21.16965 180.6900 29.10697 49.38948       35.99125 
1 1 1 -27 8  12 o 208.1894 16.40804 1301.288       198.7208 1469.027       258.4284 1058.607       310.8421 219.9853 20.25805 182.6173 30.06896 37.36801       36.25647 
1 1 1 -27 8  13 o 180.3681 18.08868 984.7872       188.7652 1002.786       241.3062 956.4056       303.0198 180.1919 23.38510 172.7319 31.05368 7.459961       38.87407 
1 1 1 -27 8  14 o 174.7433 18.12708 925.8130       183.0760 1048.284       233.8694 731.9878       294.2127 184.6834 22.02570 149.1200 34.34953 35.56335       40.80468 
1 1 1 -27 8  15 o 166.8470 19.18163 849.0286       184.2851 1028.221       241.2213 597.8373       285.6002 182.3500 23.07143 134.0284 35.69753 48.32153       42.50417 
1 1 1 -27 8  16 o 350.6894 13.31413 3661.859       273.3358 3703.283       318.3222 3545.584       533.3191 351.7417 15.46878 337.1013 27.20687 14.64041       31.29691 
1 1 1 -27 8  17 o 201.4193 18.65066 1233.100       217.8141 1119.575       245.0602 1660.166       475.3082 190.3797 22.37499 223.2587 37.63791 -32.87909      43.78645 
1 1 1 -27 8  18 o 138.8930 23.60629 606.6089       185.4161 680.0094       203.8248 254.4383       446.4615 146.8682 24.52789 107.9043 44.22512 38.96397       50.57152 
1 1 1 -27 8  19 o 194.0202 15.78290 1135.690       178.0411 1050.949       225.2614 1276.740       290.6211 184.5302 21.19924 201.6956 25.11087 -17.16541      32.86280 
1 1 1 -27 8  20 o 275.6654 16.93136 2298.719       272.4107 3713.445       600.4423 1932.059       305.6800 339.7698 30.45525 250.5712 20.99387 89.19859       36.99007 
1 1 1 -27 8  21 o 223.6085 13.71879 1500.769       179.0437 1593.975       233.5427 1367.888       278.8520 228.8350 17.53536 209.0717 23.12822 19.76331       29.02419 
1 1 1 -27 8  22 o 413.2013 11.69947 5090.372       283.2311 5207.074       433.2668 5003.285       374.2757 413.3845 17.91360 406.9719 15.71061 6.412567       23.82689 
1 1 1 -27 8  23 o 188.7297 13.76366 1075.877       151.2965 1161.005       198.7036 958.4370       233.3883 194.3242 17.62681 173.3031 23.57319 21.02107       29.43467 
1 1 1 -27 8  24 f 135.6205 18.15267 574.1343       140.7606 485.2034       177.9870 722.6311       229.9962 120.8804 25.88652 147.1111 27.67323 -26.23074      37.89353 
1 1 1 -27 8  25 o 135.1594 17.44712 570.5407       135.0765 506.9911       174.0008 666.9202       214.2828 123.5753 24.87064 140.8878 26.91471 -17.31250      36.64629 
1 1 1 -27 8  26 o 102.2194 22.76523 346.0109       132.9735 236.5822       174.7859 496.3755       204.8866 84.51025 29.10961 118.9276 29.51491 -34.41734      41.45479 
1 1 1 -27 8  27 o 229.3617 11.72276 1588.073       157.1660 1609.975       219.8992 1565.202       224.7115 227.7366 16.57771 224.0370 17.23469 3.699585       23.91349 
1 1 1 -27 8  28 o 142.6269 16.46254 637.0785       135.1805 667.0314       190.6155 606.7719       191.7377 141.3681 23.83793 133.6352 25.39257 7.732864       34.82857 
1 1 1 -27 8  29 f 104.0282 22.55367 364.0247       133.6257 350.0880       186.0143 378.8857       192.0825 98.13726 29.74747 101.7899 30.08441 -3.652626      42.30819 
1 1 1 -27 8  30 o 105.8731 21.95560 377.4268       131.8502 265.6925       188.3557 484.7832       184.6288 86.15325 30.18701 116.3866 27.48994 -30.23334      40.82833 
1 1 1 -27 8  31 o 63.83020 23.88235 121.4249       120.4534 22.88684       158.7192 255.2568       184.9725 57.38358 25.03311 84.08877 29.87475 -26.70518      38.97637 
1 1 1 -27 8  32 o 45.82995 20.85870 -42.83752      123.0604 76.75639       161.8713 -206.6140      189.4267 62.40702 26.19115 47.59274 22.92031 14.81428       34.80398 
1 1 1 -27 8  33 f 195.1148 12.97590 1177.034       147.6397 1176.184       201.3601 1178.021       217.1173 190.3698 18.25894 188.8533 19.90172 1.516541       27.00865 
1 1 1 -27 8  34 o 129.6797 18.52943 554.6785       136.9220 434.0225       187.4150 692.8021       200.5229 105.7150 29.24291 138.7140 25.59122 -32.99906      38.85947 
1 1 1 -27 8  35 o 47.82636 21.51950 -18.30467      126.5888 -124.0578      170.6921 110.9499       188.7078 47.91470 22.70783 66.55141 28.12401 -18.63672      36.14700 
1 1 1 -27 8  36 o 169.8824 15.27344 922.1030       150.5497 756.7863       200.8954 1133.869       227.3734 145.0470 24.48715 181.1773 21.83854 -36.13036      32.81071 
1 1 1 -27 8  37 o 63.33491 25.06177 123.7034       138.0009 81.96592       184.5990 176.5792       207.7759 62.86077 27.21292 72.41335 29.97388 -9.552570      40.48428 
1 1 1 -27 8  38 o 53.55490 23.52078 28.47738       142.2227 -47.56151      188.4739 129.0365       216.7425 53.89378 24.99284 68.45340 29.56028 -14.55962      38.70984 
1 1 1 -27 8  39 o 78.12283 26.99688 239.7004       150.3799 284.4653       199.8874 181.3228       228.2654 82.04707 30.75145 72.51469 30.80021 9.532379       43.52361 
1 1 1 -27 9  1  o 405.7172 16.01646 4900.338       380.3526 4947.296       486.2888 4826.345       610.4342 405.7305 20.50294 397.6230 26.32503 8.107513       33.36731 
1 1 1 -27 9  2  o 253.8651 19.29124 1937.966       285.0689 1946.869       345.7549 1919.066       503.7555 252.9218 23.58117 245.3377 36.08839 7.584106       43.10967 
1 1 1 -27 9  3  o 831.1025 30.51100 21299.04       1484.649 0.000000       0.000000 21299.04       1484.649 ?        ?        831.1025 30.51100 0.000000       30.51100 
1 1 1 -27 9  4  o 657.7982 18.41950 12933.50       709.8936 0.000000       0.000000 12933.50       709.8936 ?        ?        657.7982 18.41950 0.000000       18.41950 
1 1 1 -27 9  5  o 187.1956 19.59222 1060.076       211.9126 675.1027       274.4793 1628.163       333.4278 144.7899 33.05341 230.4363 25.07572 -85.64636      41.48879 
1 1 1 -27 9  6  o 110.7095 29.91874 390.3679       198.8379 193.6661       256.0817 689.0050       315.5340 90.56139 34.60872 145.0942 36.97786 -54.53281      50.64706 
1 1 1 -27 9  7  o 194.0573 18.35777 1135.077       206.4461 1127.251       272.7726 1145.571       315.8617 191.2517 24.91034 191.2106 29.08181 0.4118347E-01  38.29199 
1 1 1 -27 9  8  o 293.2526 14.46513 2558.818       248.0118 3104.441       353.0562 2027.272       348.4721 321.5232 18.80533 257.8952 23.29030 63.62802       29.93457 
1 1 1 -27 9  9  o 60.32740 26.65127 -43.39406      185.1209 -171.5095      235.1961 165.2052       300.1136 60.61139 28.04217 92.01498 36.77889 -31.40358      46.24986 
1 1 1 -27 9  10 o 167.8672 20.63748 860.1567       198.9054 815.7658       262.0612 920.4827       305.4977 160.5093 28.90164 169.4903 31.90393 -8.981033      43.04841 
1 1 1 -27 9  11 o 320.0277 12.81370 3040.715       240.0125 2922.052       337.0661 3162.765       341.8421 311.6255 18.52662 324.4604 18.03539 -12.83487      25.85558 
1 1 1 -27 9  12 o 219.0271 15.93894 1438.650       203.3412 1281.083       266.5480 1658.010       314.5005 204.3107 22.62371 232.3776 23.39492 -28.06691      32.54466 
1 1 1 -27 9  13 o 274.2396 13.16220 2237.815       211.0762 2500.968       287.3172 1929.265       311.1146 288.5616 17.05350 251.6171 21.28228 36.94453       27.27191 
1 1 1 -27 9  14 o 206.0596 15.64872 1274.774       187.6993 1375.896       242.2119 1122.755       296.9753 212.7399 19.63455 188.7065 27.65428 24.03349       33.91570 
1 1 1 -27 9  15 o 276.5131 12.61498 2274.417       204.0362 2422.077       268.1523 2071.371       314.4472 284.0895 16.16110 260.7048 20.73667 23.38467       26.29051 
1 1 1 -27 9  16 o 234.6478 15.46280 1652.490       211.6060 1809.205       239.8599 1102.363       449.4009 245.0729 16.78972 177.6842 43.48499 67.38872       46.61372 
1 1 1 -27 9  17 o 291.4435 14.94908 2543.858       254.6631 2738.860       302.8965 2073.607       470.3709 301.4270 17.20558 253.4767 32.37943 47.95032       36.66687 
1 1 1 -27 9  18 o 194.2185 15.42484 1135.943       174.2538 1136.825       215.6316 1134.284       295.8303 192.8769 19.32249 188.9041 27.50996 3.972794       33.61780 
1 1 1 -27 9  19 o 220.2340 14.24675 1455.244       183.0266 1615.697       242.0474 1241.002       279.6918 230.5703 18.04334 198.9254 24.49029 31.64487       30.41934 
1 1 1 -27 9  20 f 337.7527 11.29169 3392.339       223.3559 3361.274       302.1257 3429.779       331.6854 334.1816 15.45726 336.7676 16.84717 -2.585999      22.86382 
1 1 1 -27 9  21 o 80.75941 27.48000 198.5771       155.6522 395.8219       198.9371 -112.7761      249.9423 108.9409 30.12578 64.69154 29.55199 44.24937       42.20051 
1 1 1 -27 9  22 o 248.9755 12.23232 1855.669       178.0674 1912.156       239.0656 1785.275       266.8737 250.7589 16.34495 240.7274 19.05836 10.03151       25.10734 
1 1 1 -27 9  23 o 216.0656 12.73278 1404.610       160.6312 1487.160       206.4491 1277.966       255.7083 220.7194 16.05843 201.0609 22.04648 19.65842       27.27491 
1 1 1 -27 9  24 o 103.7708 22.64540 352.1106       133.9367 428.5949       164.4091 201.1908       230.9471 113.4539 25.34862 84.38928 32.70494 29.06463       41.37833 
1 1 1 -27 9  25 o 75.03126 25.16258 179.4931       130.4976 33.63808       165.0982 422.3469       213.0365 61.07558 26.07601 108.9766 31.53813 -47.90100      40.92202 
1 1 1 -27 9  26 o 201.8738 12.35908 1233.452       145.6231 1173.742       195.4791 1307.910       218.2880 194.0101 17.36347 204.1126 18.43362 -10.10243      25.32368 
1 1 1 -27 9  27 o 94.59954 24.28188 303.9883       135.3884 384.8999       181.6286 202.8136       203.1024 104.2183 28.77212 80.99164 30.85304 23.22669       42.18702 
1 1 1 -27 9  28 o 252.3469 11.40019 1922.853       168.2820 1740.951       230.0068 2132.386       246.8593 236.2096 16.71111 262.0339 16.14190 -25.82431      23.23407 
1 1 1 -27 9  29 o 84.56939 24.67969 246.8616       129.9660 97.60912       180.2282 408.5600       187.5922 67.52514 27.93017 105.9163 29.24058 -38.39116      40.43644 
1 1 1 -27 9  30 o 202.9021 12.49362 1259.370       147.9498 1278.434       198.3212 1235.445       222.1688 200.9846 16.98385 195.1592 19.67929 5.825409       25.99472 
1 1 1 -27 9  31 o 104.4009 21.64750 369.4810       128.1910 296.5092       169.0238 468.2884       196.6823 89.66582 28.55039 111.7128 29.56409 -22.04698      41.09939 
1 1 1 -27 9  32 o 120.3008 19.23781 477.2374       131.1588 355.6354       170.7828 652.0833       204.7865 97.47408 28.24630 134.4631 26.90853 -36.98898      39.01183 
1 1 1 -27 9  33 o 73.85310 25.24611 191.4099       131.4004 91.92645       175.6675 317.7754       197.9841 64.61784 27.21160 89.99865 30.98196 -25.38081      41.23534 
1 1 1 -27 9  34 o 99.30495 23.64908 352.2982       135.7500 482.7104       175.6761 159.0186       213.8684 114.0106 26.73904 72.84995 30.30446 41.16065       40.41456 
1 1 1 -27 9  35 o 164.5119 14.92430 860.3108       142.4279 938.3752       192.1594 765.1403       212.1711 166.9296 20.02747 144.5681 25.97926 22.36153       32.80277 
1 1 1 -27 9  36 o 69.86061 25.10696 172.3320       131.0262 318.6548       172.9308 -24.88967      200.7676 89.40614 28.91911 57.30800 26.29385 32.09814       39.08557 
1 1 1 -27 9  37 f 60.41526 24.61026 100.3757       137.2156 57.52950       174.1124 170.6042       222.9102 59.76664 26.14270 72.31346 30.56318 -12.54682      40.21876 
1 1 1 -27 9  38 o 38.28453 18.79258 -226.1632      144.9830 -193.4964      191.3535 -270.1908      222.1498 46.93073 22.70820 48.03069 23.51140 -1.099964      32.68713 
1 1 1 -27 9  39 o 58.95918 25.29115 74.93047       156.6472 -39.86819      206.0484 232.1484       241.1303 55.88280 25.98927 76.59164 32.04330 -20.70883      41.25791 
1 1 1 -27 10 1  o 116.8111 31.53494 436.5563       221.0380 342.6064       292.0668 562.5039       338.1653 107.8506 37.60376 131.5982 40.15350 -23.74760      55.01224 
1 1 1 -27 10 2  o 106.8674 31.64891 360.6396       212.4050 410.0206       270.2195 280.7953       343.6042 114.1307 36.07007 105.4950 40.14372 8.635666       53.96822 
1 1 1 -27 10 3  o 650.1564 26.46811 12901.18       1007.123 0.000000       0.000000 12901.18       1007.123 ?        ?        650.1564 26.46811 0.000000       26.46811 
1 1 1 -27 10 4  o 417.0283 12.71593 5151.172       310.6393 4811.625       449.1823 5462.428       430.0620 400.4893 19.17985 427.7093 17.17974 -27.21997      25.74898 
1 1 1 -27 10 5  o 141.4653 25.32043 624.7720       202.3598 849.5831       258.9930 272.4321       324.2351 164.6288 27.81436 103.2364 39.06255 61.39240       47.95332 
1 1 1 -27 10 6  o 205.4582 17.51084 1268.659       208.9904 1260.260       268.1086 1281.666       333.6354 203.0463 22.91446 202.4346 28.92322 0.6117249      36.90020 
1 1 1 -27 10 7  o 68.91225 28.73049 44.39429       192.8518 105.4583       244.7049 -55.70318      313.3009 81.17790 32.94021 78.34208 34.63772 2.835823       47.79988 
1 1 1 -27 10 8  o 81.31321 30.12940 167.7969       190.8137 62.06041       245.9935 327.5222       302.3417 77.65830 32.41805 106.4717 38.15380 -28.81339      50.06638 
1 1 1 -27 10 9  o 52.00523 24.08788 -134.4640      174.2772 -107.3856      216.6138 -184.1611      293.4546 61.19433 27.78182 68.60613 31.59136 -7.411804      42.06951 
1 1 1 -27 10 10 o 127.1705 27.00591 514.0790       195.1879 488.3438       258.1486 548.4303       298.2479 122.3418 34.49731 128.9969 37.31147 -6.655128      50.81546 
1 1 1 -27 10 11 o 56.01211 25.34945 -84.44584      178.6408 34.69675       222.1038 -302.7395      300.6374 71.99328 30.47165 64.08904 30.30281 7.904236       42.97420 
1 1 1 -27 10 12 o 285.9898 13.51713 2435.068       226.0763 2798.718       322.4299 2083.392       317.0775 304.8636 18.11514 261.7513 20.82665 43.11237       27.60268 
1 1 1 -27 10 13 o 238.2631 15.39838 1700.723       214.0181 2048.543       289.0108 1278.401       318.4627 260.1679 19.07387 201.5889 27.66548 58.57898       33.60344 
1 1 1 -27 10 14 o 72.64947 27.78847 121.8376       165.1933 232.1002       198.8541 -123.7066      296.7462 89.01830 31.02886 71.65264 32.52476 17.36565       44.95164 
1 1 1 -27 10 15 o 67.74190 26.90425 86.18633       159.5873 48.09014       191.2196 173.6202       289.6887 68.43280 28.57553 90.55787 36.15522 -22.12507      46.08429 
1 1 1 -27 10 16 o 317.5263 11.62594 2993.583       216.1346 3163.229       286.5083 2769.546       329.2507 325.0560 15.06996 302.4552 18.65233 22.60077       23.97943 
1 1 1 -27 10 17 o 350.2392 11.33864 3640.829       232.5966 3640.103       305.7684 3641.826       358.3322 348.6458 14.98902 347.3416 17.64835 1.304199       23.15459 
1 1 1 -27 10 18 o 357.1914 11.35890 3789.439       237.6487 3807.480       315.9341 3765.928       360.6618 356.2859 15.15446 353.0388 17.47346 3.247040       23.12962 
1 1 1 -27 10 19 o 211.4411 17.51998 1359.149       215.3082 1269.581       244.0077 1674.132       457.5843 202.8480 20.80531 223.1101 36.21078 -20.26215      41.76221 
1 1 1 -27 10 20 o 180.5935 15.91975 989.2596       166.8877 1022.576       213.3937 936.7917       267.7928 181.7621 20.36824 170.1669 27.79165 11.59523       34.45636 
1 1 1 -27 10 21 o 298.8800 11.52414 2664.098       201.6235 2721.495       272.0859 2594.196       300.2705 300.0638 15.51383 291.6772 17.63573 8.386536       23.48825 
1 1 1 -27 10 22 o 204.4454 13.71152 1261.401       163.4539 1145.627       207.6543 1449.971       265.0164 192.5054 18.62516 215.1405 21.28246 -22.63507      28.28144 
1 1 1 -27 10 23 o 121.8486 20.42012 472.2909       140.7666 575.4172       178.8686 304.5007       228.1563 133.0607 23.79453 95.61321 33.24205 37.44744       40.88048 
1 1 1 -27 10 24 o 213.7381 12.76982 1380.220       159.3428 1271.919       205.7984 1542.325       251.7822 202.5632 17.49461 221.7309 19.56234 -19.16768      26.24397 
1 1 1 -27 10 25 o 255.0896 11.03170 1953.359       164.6484 1868.310       214.3859 2075.659       257.0827 247.1498 14.85921 258.9011 17.02571 -11.75125      22.59803 
1 1 1 -27 10 26 o 74.94468 25.16191 181.9406       130.4874 162.6128       163.7823 215.5297       215.9107 74.17377 27.82858 83.32468 31.79429 -9.150902      42.25289 
1 1 1 -27 10 27 f 50.42422 22.39599 -19.61612      132.4551 -38.20951      177.1106 3.981516       199.5260 56.39819 25.40846 62.60476 27.66255 -6.206577      37.56070 
1 1 1 -27 10 28 o 111.7404 21.88015 414.9270       138.2541 479.1606       184.6444 332.9629       208.5774 116.6085 27.45686 95.38953 31.80863 21.21899       42.01985 
1 1 1 -27 10 29 o 211.5574 12.60969 1366.842       155.7429 1362.115       212.3800 1372.341       229.0735 207.3287 17.63357 206.7958 19.10370 0.5328827      25.99796 
1 1 1 -27 10 30 o 71.49543 24.70843 170.1745       125.9667 256.2901       168.5201 61.13262       189.6303 84.38982 28.59487 64.48813 27.74708 19.90169       39.84428 
1 1 1 -27 10 31 o 52.43437 22.64293 21.36781       127.1740 43.51804       166.0416 -10.06615      197.8005 59.95337 25.88122 59.77123 26.89644 0.1821365      37.32635 
1 1 1 -27 10 32 o 60.23874 23.82878 95.47984       124.7183 41.33141       158.5649 183.3235       201.9618 58.46842 25.26617 75.62502 30.19002 -17.15660      39.36771 
1 1 1 -27 10 33 o 211.4438 12.24252 1376.809       151.1664 1345.604       198.4802 1419.915       233.2726 204.9417 16.65688 207.5100 19.39247 -2.568329      25.56403 
1 1 1 -27 10 34 o 137.0184 17.88544 616.0333       140.2965 566.3118       185.3465 682.7448       214.6906 124.0292 26.29757 134.6035 28.10480 -10.57425      38.48950 
1 1 1 -27 10 35 o 43.80827 20.51818 -83.77444      132.1545 -60.18079      167.0756 -123.2080      215.9974 50.98584 23.60496 53.98743 25.57359 -3.001595      34.80234 
1 1 1 -27 10 36 o 79.01371 25.41419 234.0146       133.6755 146.1802       166.5288 393.1522       224.1523 67.80698 27.29552 94.82462 32.95016 -27.01764      42.78737 
1 1 1 -27 10 37 o 119.5621 21.05828 498.4781       142.2697 656.5773       188.9944 291.7339       216.1229 133.3499 25.08654 83.26116 31.80018 50.08871       40.50415 
1 1 1 -27 10 38 o 56.60700 24.57068 51.43478       151.3053 50.66396       194.1473 52.62714       241.4663 60.82428 27.05900 64.79300 29.38259 -3.968716      39.94403 
1 1 1 -27 11 1  o 288.0584 20.29546 2502.682       340.6758 2502.682       340.6758 0.000000       0.000000 288.0584 20.29546 ?        ?        0.000000       20.29546 
1 1 1 -27 11 2  o 538.8417 13.54227 8610.354       427.6208 7925.408       631.7975 9189.382       580.8979 512.9036 21.04822 554.3846 17.88987 -41.48102      27.62381 
1 1 1 -27 11 3  o 240.4387 16.75677 1731.076       234.8112 1823.747       301.7407 1588.792       373.8849 245.3367 21.17822 225.7427 28.90278 19.59398       35.83138 
1 1 1 -27 11 4  o 456.9730 17.76362 6247.252       475.1650 0.000000       0.000000 6247.252       475.1650 ?        ?        456.9730 17.76362 0.000000       17.76362 
1 1 1 -27 11 5  o 606.4822 17.95580 11004.89       637.9619 0.000000       0.000000 11004.89       637.9619 ?        ?        606.4822 17.95580 0.000000       17.95580 
1 1 1 -27 11 6  o 130.0193 26.20244 533.2333       192.8912 527.0079       240.0088 544.5892       324.1563 127.6631 32.09509 129.0333 39.30153 -1.370186      50.74154 
1 1 1 -27 11 7  o 178.3016 19.65870 965.7514       202.1623 1152.015       262.7143 695.3173       316.5561 193.5220 23.63743 145.0866 37.07066 48.43533       43.96546 
1 1 1 -27 11 8  o 292.0175 13.77335 2537.125       235.2196 2679.419       317.1525 2363.169       350.6682 298.5305 18.20111 278.8771 21.60888 19.65338       28.25286 
1 1 1 -27 11 9  o 94.72499 29.12109 280.7217       177.4422 292.8870       216.6870 255.9580       309.1569 97.84238 32.41505 99.93688 38.06648 -2.094498      49.99792 
1 1 1 -27 11 10 o 166.5347 19.40858 844.9531       186.0122 964.8177       233.6626 637.5599       307.3556 176.8026 23.08547 138.4322 37.10508 38.37042       43.70041 
1 1 1 -27 11 11 o 260.4634 14.89981 2027.428       226.6533 2197.209       312.3868 1838.698       329.3585 269.2359 19.92498 244.7272 23.22555 24.50864       30.60116 
1 1 1 -27 11 12 o 182.4827 18.02658 1009.042       190.4063 1016.107       241.1759 997.3524       310.2283 181.2534 23.22074 176.0643 31.18542 5.189102       38.88101 
1 1 1 -27 11 13 o 202.5297 15.89437 1233.293       187.2799 1266.699       241.3877 1182.778       296.8358 203.6417 20.48968 194.0184 26.80206 9.623276       33.73689 
1 1 1 -27 11 14 o 55.50014 24.95658 -66.67825      169.9535 83.60551       209.6383 -354.8367      290.2888 74.17719 30.34221 60.26165 28.85130 13.91553       41.86940 
1 1 1 -27 11 15 o 260.0862 12.97472 2015.929       197.2842 2028.782       252.8281 1995.920       315.4561 259.5625 16.69716 255.3920 21.25356 4.170563       27.02793 
1 1 1 -27 11 16 o 230.3551 13.55644 1585.733       182.3349 1489.743       227.6071 1757.687       304.6342 221.8098 17.64189 239.0453 21.97512 -17.23550      28.18053 
1 1 1 -27 11 17 f 187.4393 17.08872 1065.484       185.7905 1086.283       203.1875 959.3877       458.9021 188.7075 18.60094 162.7641 46.02942 25.94333       49.64577 
1 1 1 -27 11 18 o 128.8038 22.51217 522.9652       163.8704 346.0946       197.9636 907.9827       292.0772 102.8349 30.57900 166.2983 31.09018 -63.46337      43.60819 
1 1 1 -27 11 19 o 186.2855 16.00998 1051.828       173.2174 1087.882       216.8279 988.2312       287.9742 187.8087 19.99255 174.2269 29.21637 13.58180       35.40195 
1 1 1 -27 11 20 o 105.3819 24.44464 359.9633       148.1444 391.3752       182.2776 298.8383       254.2704 108.7038 28.31435 97.79974 34.99607 10.90407       45.01586 
1 1 1 -27 11 21 o 175.4016 15.66417 936.8493       159.4417 1026.512       199.5420 778.5079       265.1702 182.1503 18.95599 152.0399 30.79526 30.11031       36.16182 
1 1 1 -27 11 22 o 54.90244 23.71713 4.996199       139.6242 -36.56025      172.4900 83.97360       237.7914 57.02275 25.42776 75.23811 31.67043 -18.21537      40.61511 
1 1 1 -27 11 23 o 34.51877 17.11496 -291.2952      131.1129 -207.1988      159.6521 -465.5099      229.7886 43.94542 21.13266 46.12177 22.83060 -2.176353      31.10989 
1 1 1 -27 11 24 o 62.69925 24.54498 92.30002       131.1247 33.24563       163.6316 198.2696       219.1956 60.82428 25.96408 82.59756 31.90215 -21.77328      41.13247 
1 1 1 -27 11 25 o 42.35026 19.79965 -98.58879      122.1419 -127.5000      147.6711 -35.97154      217.3249 45.67604 21.48644 62.69804 28.20484 -17.02200      35.45674 
1 1 1 -27 11 26 o 96.61160 23.06915 313.2401       128.9023 208.0998       158.5875 517.9449       221.2831 79.59010 27.71183 119.4854 31.23383 -39.89528      41.75521 
1 1 1 -27 11 27 o 79.89700 25.80992 215.5591       137.7726 122.2536       176.3134 361.8661       220.7822 70.14287 28.13788 99.09645 32.71558 -28.95358      43.15147 
1 1 1 -27 11 28 o 123.4458 19.64709 495.0032       137.4787 593.5845       182.6040 366.0052       208.8836 132.1114 24.46870 99.11774 31.75806 32.99369       40.09105 
1 1 1 -27 11 29 o 51.02828 22.59011 -8.611465      133.6725 -2.268811      174.8102 -17.54212      207.4307 57.86314 25.71274 61.03887 27.49847 -3.175724      37.64719 
1 1 1 -27 11 30 o 150.2608 15.76678 712.1636       136.8768 733.3967       181.4659 684.1384       208.4792 148.2796 21.49303 138.9074 26.55864 9.372162       34.16594 
1 1 1 -27 11 31 o 142.3800 17.00713 649.7767       139.2086 653.1608       183.5443 645.1937       213.5969 137.6977 23.57543 132.5345 28.33832 5.163254       36.86274 
1 1 1 -27 11 32 o 97.21855 23.48329 333.4413       132.3768 368.5161       172.2045 282.7737       206.9722 98.71506 28.28973 85.94557 31.45925 12.76949       42.30831 
1 1 1 -27 11 33 o 109.7188 20.70734 410.0429       128.3629 331.5056       160.8346 547.8445       213.0437 93.50598 27.50067 117.9012 30.56125 -24.39519      41.11298 
1 1 1 -27 11 34 o 65.97607 24.84323 142.1270       130.7847 67.62109       165.8286 264.7300       212.7231 60.66707 26.02273 82.31059 31.52133 -21.64352      40.87513 
1 1 1 -27 11 35 o 195.6408 13.43002 1198.882       153.1596 1136.990       201.5753 1283.418       235.5790 184.9644 18.84521 193.8507 21.05939 -8.886261      28.26022 
1 1 1 -27 11 36 o 61.69193 25.04159 107.2771       141.4758 274.2426       182.0530 -147.2867      224.7930 82.55927 29.60396 53.44402 25.53333 29.11525       39.09406 
1 1 1 -27 11 37 o 51.83731 23.15801 5.695931       143.7623 8.899563       186.2614 0.9752132      226.1026 57.25745 25.90156 60.71112 27.87312 -3.453671      38.04999 
1 1 1 -27 11 38 o 69.41862 26.42715 173.8917       148.9504 46.35908       195.5602 350.0996       229.8701 60.46144 27.01029 88.01245 32.97931 -27.55101      42.62852 
1 1 1 -27 12 1  o 304.7374 22.28711 2820.213       395.5639 0.000000       0.000000 2820.213       395.5639 ?        ?        304.7374 22.28711 0.000000       22.28711 
1 1 1 -27 12 2  f 376.7379 27.49026 4376.731       603.2111 0.000000       0.000000 4376.731       603.2111 ?        ?        376.7379 27.49026 0.000000       27.49026 
1 1 1 -27 12 3  o 350.9083 27.68479 3803.898       565.1392 0.000000       0.000000 3803.898       565.1392 ?        ?        350.9083 27.68479 0.000000       27.68479 
1 1 1 -27 12 4  o 357.5361 14.96609 3808.190       313.1248 3255.943       368.3852 5245.940       594.3974 328.8766 19.18262 414.4498 24.56444 -85.57318      31.16704 
1 1 1 -27 12 5  o 356.4444 14.72509 3784.016       307.1597 3692.219       377.4044 3964.121       528.6366 350.5653 18.42105 359.5782 25.22771 -9.012848      31.23736 
1 1 1 -27 12 6  o 98.97406 28.51256 310.4386       174.4934 273.0074       210.8513 391.7860       310.8359 95.21706 31.98523 112.8049 38.82084 -17.58788      50.30022 
1 1 1 -27 12 7  o 166.8834 21.90456 855.9050       209.2161 952.6180       243.0343 579.1171       411.1483 175.3266 24.28720 132.8042 44.66471 42.52243       50.84097 
1 1 1 -27 12 8  o 55.37442 24.81744 -62.39631      166.5267 35.38781       197.4184 -303.5864      310.0510 68.52579 28.85162 65.37601 30.86981 3.149780       42.25354 
1 1 1 -27 12 9  o 82.54347 28.56561 196.3269       168.3887 308.7289       204.0112 -43.92465      298.2635 99.19374 31.34015 76.62882 33.84203 22.56492       46.12470 
1 1 1 -27 12 10 o 55.17443 24.73624 -61.87548      165.5929 14.52112       196.4860 -249.1563      307.6388 66.50568 28.42208 67.22786 31.42798 -0.7221756     42.37372 
1 1 1 -27 12 11 o 205.4629 15.79648 1268.044       188.8860 1121.098       237.2359 1522.508       312.1874 191.1550 21.53573 221.8088 24.40118 -30.65381      32.54544 
1 1 1 -27 12 12 o 201.0105 16.58647 1217.693       193.7959 1054.115       248.1315 1473.540       310.3192 184.4215 23.47253 217.8805 24.72156 -33.45895      34.08981 
1 1 1 -27 12 13 o 231.5950 14.41127 1604.733       194.7711 1898.039       256.4832 1205.177       299.3559 250.7823 17.54935 195.7142 26.78223 55.06807       32.01981 
1 1 1 -27 12 14 o 121.9240 24.22913 471.0035       167.1458 457.8029       208.4048 494.8045       279.8399 118.4336 29.98108 121.8592 36.38611 -3.425621      47.14673 
1 1 1 -27 12 15 o 101.3425 30.17240 331.5263       192.6404 366.7971       215.9943 194.3706       425.9337 106.2044 32.02574 102.7921 42.76378 3.412285       53.42648 
1 1 1 -27 12 16 o 277.8487 14.39513 2311.774       233.7712 2154.682       259.2351 2995.620       540.8736 267.2929 16.61918 305.8976 30.55722 -38.60474      34.78421 
1 1 1 -27 12 17 o 285.6380 12.11071 2430.332       202.4181 2317.133       251.0051 2640.863       342.3101 277.5265 15.48291 293.9212 19.97684 -16.39474      25.27439 
1 1 1 -27 12 18 o 263.4208 12.53506 2072.054       193.0986 2087.085       240.3800 2044.707       324.2264 263.0650 15.65137 257.1347 21.70236 5.930298       26.75739 
1 1 1 -27 12 19 o 119.9651 22.73535 458.4812       154.1053 399.9977       187.5818 579.9040       270.2863 109.8466 28.77815 129.7943 34.79823 -19.94765      45.15638 
1 1 1 -27 12 20 o 43.34321 20.63899 -167.7607      144.3596 -96.23718      174.2702 -324.1579      257.6992 53.47546 24.52128 55.68771 26.79709 -2.212250      36.32323 
1 1 1 -27 12 21 o 106.6658 22.82231 368.9366       138.4539 573.3255       167.9851 -64.01888      244.4916 133.9641 22.15492 65.97039 29.77498 67.99372       37.11320 
1 1 1 -27 12 22 o 97.81631 24.26252 316.5724       138.5081 343.2417       166.1682 255.8611       250.7128 100.7765 27.39990 91.12968 34.37886 9.646866       43.96203 
1 1 1 -27 12 23 o 47.47131 21.77390 -74.38060      137.5319 -51.16491      169.5116 -119.1019      235.2696 54.97311 24.80371 60.72018 28.07632 -5.747078      37.46337 
1 1 1 -27 12 24 o 160.3339 15.78311 794.3600       146.4898 887.2996       188.1824 651.4255       233.3711 167.3529 19.54055 136.4060 29.99021 30.94688       35.79449 
1 1 1 -27 12 25 o 45.93892 21.07263 -67.60180      128.8487 111.4041       161.5794 -380.2344      213.5351 67.98171 27.04817 45.82467 22.55566 22.15704       35.21877 
1 1 1 -27 12 26 o 112.6250 20.87068 415.0212       132.7796 527.1244       166.1094 216.6228       220.9807 125.7161 23.39017 83.16838 32.05585 42.54771       39.68220 
1 1 1 -27 12 27 f 62.52463 24.34797 100.1535       128.4766 65.23710       165.3431 153.3599       204.1051 63.03226 26.46313 75.33028 30.25523 -12.29802      40.19547 
1 1 1 -27 12 28 o 73.91673 25.41644 181.3234       133.2300 -80.02239      169.3163 606.2229       215.8908 51.78161 23.89876 129.4526 29.14107 -77.67095      37.68756 
1 1 1 -27 12 29 o 98.58224 23.68574 337.0937       135.2286 367.0280       182.4498 300.6031       201.4418 99.28896 29.31392 89.81133 31.23473 9.477631       42.83590 
1 1 1 -27 12 30 o 135.1793 17.31448 586.5585       134.1206 475.4571       173.7621 750.3060       210.9516 115.2393 26.29289 146.3732 25.49994 -31.13393      36.62735 
1 1 1 -27 12 31 o 47.46098 21.40461 -28.57400      126.0709 -100.6301      164.0861 75.25285       196.9659 48.90119 22.89043 65.62912 28.25878 -16.72793      36.36662 
1 1 1 -27 12 32 f 45.22306 20.91253 -65.00372      130.5701 -27.60299      176.0571 -110.7197      194.6471 55.04618 25.01253 52.57721 24.71266 2.468971       35.16166 
1 1 1 -27 12 33 o 64.97441 24.89894 131.8058       132.7889 254.0289       174.0502 -38.41886      205.4042 81.80654 28.98767 57.68956 26.51558 24.11698       39.28563 
1 1 1 -27 12 34 o 98.73267 24.37045 355.6398       140.2493 584.8685       182.3368 23.53815       219.4701 126.5001 25.45956 62.55856 28.22496 63.94154       38.01102 
1 1 1 -27 12 35 o 79.14631 25.95994 235.3947       139.0999 271.7964       182.6302 185.1034       214.6633 82.72964 29.65254 73.95027 30.52458 8.779366       42.55612 
1 1 1 -27 12 36 o 119.4421 21.93386 503.3765       147.9864 503.2231       194.6627 503.5866       227.7882 111.6852 29.34358 106.8982 33.01809 4.787025       44.17284 
1 1 1 -27 12 37 o 48.19614 22.09924 -36.70878      141.5183 -26.13807      180.4296 -53.60804      228.1338 54.23519 24.89970 57.90454 27.06766 -3.669353      36.77844 
1 1 1 -27 12 38 o 40.03185 19.59412 -218.0126      154.1852 -350.9060      196.3304 -4.151055      249.0589 41.72759 20.73261 61.75644 28.67049 -20.02885      35.38132 
1 1 1 -27 13 1  o 132.6314 28.56388 561.9158       215.6122 615.3124       268.1952 464.3398       362.5480 137.2977 33.58796 121.5481 41.92192 15.74955       53.71777 
1 1 1 -27 13 2  o 504.3526 15.84103 7590.010       467.9823 6807.872       565.1455 9296.435       834.7604 474.9801 20.33483 550.4120 25.93261 -75.43198      32.95460 
1 1 1 -27 13 3  o 550.5691 25.72647 9298.398       828.4000 0.000000       0.000000 9298.398       828.4000 ?        ?        550.5691 25.72647 0.000000       25.72647 
1 1 1 -27 13 4  o 254.5856 24.80720 1995.477       365.7000 0.000000       0.000000 1995.477       365.7000 ?        ?        254.5856 24.80720 0.000000       24.80720 
1 1 1 -27 13 5  o 406.8631 17.59424 4965.425       418.8336 0.000000       0.000000 4965.425       418.8336 ?        ?        406.8631 17.59424 0.000000       17.59424 
1 1 1 -27 13 6  o 156.8618 21.16849 755.9373       189.7750 550.2891       235.9440 1132.753       319.3826 130.2234 31.28559 188.9385 29.81033 -58.71518      43.21394 
1 1 1 -27 13 7  o 208.8820 16.24052 1310.645       197.3912 1246.761       250.5908 1415.089       320.4119 201.9049 21.49248 213.2247 26.17064 -11.31985      33.86486 
1 1 1 -27 13 8  o 53.80687 24.14881 -61.75590      158.2828 -5.033299      186.3570 -208.6317      299.8767 63.30477 27.37365 68.02743 31.53968 -4.722656      41.76204 
1 1 1 -27 13 9  o 77.11799 27.71956 161.6543       159.7211 120.1278       187.7190 270.5583       303.9959 75.25631 29.39506 100.4176 37.86203 -25.16129      47.93332 
1 1 1 -27 13 10 o 48.91106 22.65254 -117.9843      154.0712 -102.6679      180.9750 -158.3189      293.6841 55.08385 25.15672 69.49704 31.85481 -14.41319      40.59051 
1 1 1 -27 13 11 o 305.9915 12.73960 2785.024       228.1207 2894.383       298.9441 2632.568       352.9669 310.4890 16.47597 294.1474 20.59065 16.34152       26.37105 
1 1 1 -27 13 12 o 264.4050 13.38127 2084.543       206.8251 2364.575       269.8061 1685.496       322.0764 280.4764 16.47486 233.4297 23.86156 47.04677       28.99646 
1 1 1 -27 13 13 o 204.3703 15.08373 1254.172       179.5170 1454.658       228.2644 929.1471       290.6394 219.1636 17.91522 169.6461 30.32506 49.51756       35.22165 
1 1 1 -27 13 14 o 72.36634 28.11288 115.3627       170.9594 223.4019       213.2347 -79.05193      286.0433 88.63898 32.00665 72.37415 32.47414 16.26482       45.59600 
1 1 1 -27 13 15 o 270.2603 13.71974 2183.400       216.7482 2234.629       285.5273 2113.732       332.9690 271.5637 18.02984 262.1134 21.85910 9.450317       28.33540 
1 1 1 -27 13 16 o 262.7240 13.26223 2063.045       203.6854 1679.120       251.2050 2799.907       348.0152 234.8785 18.38255 302.8614 19.70003 -67.98286      26.94456 
1 1 1 -27 13 17 o 307.6565 11.80792 2818.987       212.6587 2785.012       267.8607 2876.911       349.7509 304.3355 15.05414 306.7556 19.54250 -2.420044      24.66853 
1 1 1 -27 13 18 o 117.3100 25.80910 447.2940       172.7340 556.9288       192.4469 -7.115102      391.7961 131.1736 25.93519 86.68192 38.50801 44.49164       46.42737 
1 1 1 -27 13 19 o 125.7421 24.77614 511.7654       176.2100 512.0688       194.6947 510.3912       414.3309 124.6011 27.39087 120.7294 44.45753 3.871742       52.21812 
1 1 1 -27 13 20 o 94.61829 26.02235 295.9146       148.8901 347.3269       180.9959 188.3053       261.8547 101.6035 28.96603 86.52167 34.43031 15.08184       44.99419 
1 1 1 -27 13 21 o 122.8578 20.60255 480.5432       143.1975 499.4878       172.4696 438.5022       256.9253 123.3263 24.70728 111.1038 35.17895 12.22250       42.98846 
1 1 1 -27 13 22 o 106.6958 23.35637 375.0713       142.0879 346.9944       174.5742 430.1736       244.5622 100.5980 28.36968 109.4139 34.27897 -8.815895      44.49591 
1 1 1 -27 13 23 o 55.20693 23.36519 29.04984       130.5737 -8.929822      157.5317 112.4223       233.4016 56.11740 24.69650 75.76042 31.59794 -19.64302      40.10420 
1 1 1 -27 13 24 f 115.5665 21.40950 435.8911       139.7648 257.8079       172.5464 775.6727       238.3387 87.02876 28.92870 150.2548 28.07897 -63.22601      40.31499 
1 1 1 -27 13 25 o 135.5552 18.45575 584.0497       142.9162 595.0022       177.4705 563.8429       241.0566 133.8241 23.46733 123.5529 32.74463 10.27122       40.28556 
1 1 1 -27 13 26 o 161.6557 15.71851 813.0645       147.1435 818.7872       192.5017 805.0219       228.2104 158.6409 21.22227 153.4413 26.30591 5.199615       33.79920 
1 1 1 -27 13 27 f 190.1297 13.37351 1108.527       148.1722 1285.997       191.3198 842.5333       234.2251 202.8130 16.21980 156.0963 26.53403 46.71675       31.09882 
1 1 1 -27 13 28 o 167.6257 14.81612 875.0035       144.1569 1020.266       190.6210 680.9374       220.3279 178.2993 18.49779 137.7259 28.22665 40.57336       33.74777 
1 1 1 -27 13 29 o 65.90160 24.82782 130.6586       130.6594 251.8470       177.3651 -13.15094      193.2108 83.60172 29.29306 59.16769 26.60729 24.43404       39.57311 
1 1 1 -27 13 30 o 42.71580 20.08486 -100.6309      128.7779 -182.9443      166.4856 21.97575       203.1882 44.98000 21.61728 62.45877 27.74004 -17.47876      35.16840 
1 1 1 -27 13 31 o 123.3175 19.15819 502.5519       134.0621 345.4205       172.8334 739.8938       212.4141 95.38008 28.62238 143.6863 26.17066 -48.30624      38.78330 
1 1 1 -27 13 32 o 66.22667 24.84896 140.8379       130.5929 76.19682       167.5632 240.8498       208.4252 62.09480 26.38227 80.66376 31.12094 -18.56896      40.79874 
1 1 1 -27 13 33 o 80.22987 25.44075 237.4042       134.3262 153.8417       175.5052 355.5810       208.7133 69.86893 28.05769 92.75852 31.81472 -22.88960      42.41946 
1 1 1 -27 13 34 o 110.2406 22.14651 426.7553       138.2097 475.6519       176.2413 348.6541       222.7393 111.9134 27.13577 90.64315 32.71461 21.27025       42.50406 
1 1 1 -27 13 35 o 65.32288 25.31400 138.7030       138.3516 -14.92081      179.7149 362.2118       216.7714 55.25443 25.17089 91.58361 32.35972 -36.32918      40.99665 
1 1 1 -27 13 36 o 111.9816 23.55855 455.9197       149.8100 544.3240       201.3144 346.2088       224.2657 116.0546 29.51446 88.69661 32.69992 27.35797       44.04984 
1 1 1 -27 13 37 o 41.58809 20.23421 -197.8636      157.5186 12.24136       203.2347 -513.9605      249.2813 59.03815 26.84501 44.34455 22.23384 14.69359       34.85682 
1 1 1 -27 14 1  o 334.6245 13.94940 3333.110       273.1556 3062.836       351.3297 3746.195       434.3427 318.7712 18.87705 351.4515 21.17069 -32.68027      28.36443 
1 1 1 -27 14 2  o 240.2033 18.34416 1740.673       256.4658 1702.017       295.4888 1858.718       516.3665 236.2554 21.56342 237.8490 38.31913 -1.593674      43.96973 
1 1 1 -27 14 3  o 385.3788 28.16430 4616.452       632.1619 0.000000       0.000000 4616.452       632.1619 ?        ?        385.3788 28.16430 0.000000       28.16430 
1 1 1 -27 14 4  o 648.5441 27.49552 13011.65       1043.435 0.000000       0.000000 13011.65       1043.435 ?        ?        648.5441 27.49552 0.000000       27.49552 
1 1 1 -27 14 5  o 113.4709 28.42578 414.1536       188.7502 272.3722       228.6641 717.3352       334.3796 95.86185 33.28187 146.1673 38.48486 -50.30540      50.87993 
1 1 1 -27 14 6  o 223.0324 15.80241 1492.127       205.3621 1527.101       262.5028 1436.956       329.7019 224.0829 20.19076 214.4489 26.79815 9.634003       33.55306 
1 1 1 -27 14 7  o 84.40067 28.12632 213.3620       163.0858 267.9507       191.2652 67.96033       312.1541 93.26442 30.43190 85.26369 36.10814 8.000732       47.22180 
1 1 1 -27 14 8  o 265.0308 13.32605 2092.430       206.4678 2341.246       268.5554 1732.794       322.8691 279.2569 16.47072 237.1641 23.52239 42.09276       28.71563 
1 1 1 -27 14 9  o 123.4074 22.46990 476.7289       156.6375 535.2580       185.6566 332.1581       291.7861 129.9864 25.26386 105.2224 37.50719 24.76406       45.22226 
1 1 1 -27 14 10 o 168.0902 17.20787 856.0637       167.2451 1017.837       202.1165 504.7514       297.8482 182.7698 19.13937 123.1908 37.70251 59.57897       42.28233 
1 1 1 -27 14 11 o 238.1375 13.66041 1693.352       189.9835 1770.103       241.6960 1569.255       307.3315 242.2690 17.12093 225.2359 23.61662 17.03311       29.16969 
1 1 1 -27 14 12 o 173.8232 17.00822 915.3243       171.1708 1125.319       210.1837 501.7726       294.9579 192.2170 18.88844 122.5121 37.52376 69.70495       42.00959 
1 1 1 -27 14 13 o 292.9846 12.89958 2558.093       221.1082 2707.214       284.6800 2331.360       351.0310 300.0320 16.23904 275.5447 21.90225 24.48727       27.26564 
1 1 1 -27 14 14 o 244.1334 13.82934 1783.461       197.1966 1699.657       242.7022 1946.259       338.2708 236.8459 17.59834 250.6125 23.28123 -13.76663      29.18419 
1 1 1 -27 14 15 o 189.1638 15.73389 1081.088       172.9731 697.3783       208.7154 1922.614       309.0914 148.1978 24.89572 249.8793 21.29412 -101.6815      32.76028 
1 1 1 -27 14 16 o 179.1663 16.78952 976.0706       174.3638 983.3351       211.6652 960.7324       307.5621 178.2609 20.62629 170.2964 31.96851 7.964508       38.04510 
1 1 1 -27 14 17 o 96.40266 27.62616 303.7730       164.2232 351.3209       179.1988 54.43656       410.3579 103.1891 28.61406 91.54023 40.08532 11.64885       49.25036 
1 1 1 -27 14 18 o 90.31810 27.63285 265.2842       160.0115 330.0335       173.9089 -91.95701      408.4934 99.80761 28.37324 83.54066 38.01474 16.26694       47.43586 
1 1 1 -27 14 19 o 99.76383 25.14157 327.6519       147.0232 474.8777       177.5988 7.023034       262.0895 120.0837 25.97434 72.82620 31.95873 47.25745       41.18285 
1 1 1 -27 14 20 o 111.9052 21.47679 402.5604       135.8273 301.8083       158.1517 685.7862       265.1631 94.97054 27.07689 140.0555 32.85314 -45.08493      42.57331 
1 1 1 -27 14 21 o 77.27769 25.70278 190.5132       136.2052 172.6210       162.9596 231.9842       248.0966 76.32160 27.91815 88.24287 33.97775 -11.92126      43.97625 
1 1 1 -27 14 22 o 210.6141 12.73222 1341.867       156.5341 1269.031       196.6838 1467.713       258.5323 202.5832 16.70271 215.0322 20.75807 -12.44894      26.64353 
1 1 1 -27 14 23 o 252.1403 12.42221 1922.014       183.1272 1672.036       242.0731 2256.486       280.0113 231.3528 17.98219 269.0496 17.84655 -37.69678      25.33493 
1 1 1 -27 14 24 o 63.87354 24.62663 105.6709       130.4506 53.68111       157.1234 221.0142       234.0336 61.32438 25.77467 84.61304 32.88640 -23.28866      41.78336 
1 1 1 -27 14 25 o 108.8126 22.76355 395.5363       140.5925 381.6833       173.8966 421.6801       238.8920 103.9691 27.92857 105.8898 33.96623 -1.920769      43.97396 
1 1 1 -27 14 26 o 172.3855 15.66310 925.6069       156.6269 867.1246       204.2695 1009.048       243.9951 162.3610 22.01914 172.9494 24.76097 -10.58835      33.13530 
1 1 1 -27 14 27 o 244.0096 11.60539 1806.705       165.6040 1728.654       215.1831 1920.087       259.3513 235.4458 15.67279 245.7641 18.12110 -10.31833      23.95852 
1 1 1 -27 14 28 o 81.16660 24.69615 230.2941       128.0403 310.3335       165.6479 111.4889       201.8142 92.09813 28.10330 69.96202 29.29539 22.13611       40.59575 
1 1 1 -27 14 29 o 65.51745 24.66142 129.8575       128.8512 182.6140       174.7504 67.00204       190.7445 74.86893 28.59489 64.77498 27.84895 10.09396       39.91531 
1 1 1 -27 14 30 o 74.29406 24.49444 192.0124       123.7767 139.9993       170.0762 250.5838       180.4803 69.37434 27.70124 82.61588 29.49290 -13.24154      40.46220 
1 1 1 -27 14 31 f 132.1065 18.52702 573.5206       139.6023 577.2057       186.0981 568.7781       211.1147 126.3240 25.98685 121.5333 29.84162 4.790718       39.57067 
1 1 1 -27 14 32 o 110.1520 22.37526 423.4424       139.6098 472.1931       185.6993 360.0681       211.7274 111.0489 28.40306 93.63464 32.04576 17.41430       42.82132 
1 1 1 -27 14 33 o 186.5244 13.80899 1092.348       149.9882 1054.030       205.0391 1136.454       219.9787 176.9158 20.11842 182.8609 20.88621 -5.945053      28.99974 
1 1 1 -27 14 34 o 85.74361 25.51302 276.3909       137.7695 131.8524       180.5789 477.6923       213.1075 67.42167 27.92880 106.7425 31.72365 -39.32079      42.26591 
1 1 1 -27 14 35 o 63.07574 25.16748 120.9210       140.2818 217.5694       182.5910 -18.30871      219.1532 75.72141 29.15094 59.16660 27.26487 16.55481       39.91429 
1 1 1 -27 14 36 o 74.29417 26.54610 208.3382       146.2497 209.8320       194.4047 206.3904       221.9853 74.75281 29.69258 75.01488 31.00981 -0.2620697     42.93318 
1 1 1 -27 14 37 o 133.8121 29.84114 728.5881       228.2181 307.9536       389.5418 948.4182       281.6082 82.76591 37.44763 148.2654 33.21208 -65.49946      50.05364 
1 1 1 -27 15 1  o 91.83925 30.47367 256.4492       191.4891 97.49269       220.4945 744.2108       386.2446 77.05868 31.26843 147.5127 42.39754 -70.45402      52.68080 
1 1 1 -27 15 2  o 177.5449 19.64029 960.7908       201.0910 880.8098       236.7802 1167.752       380.8872 168.0514 24.76606 188.5876 35.74550 -20.53621      43.48676 
1 1 1 -27 15 3  o 72.63744 29.05299 95.23209       187.3980 144.8384       222.0227 -27.65641      349.4494 81.66673 31.94805 83.52006 36.76837 -1.853333      48.70925 
1 1 1 -27 15 4  o 156.0735 21.41467 750.7219       190.8531 618.7302       232.6101 1022.616       333.8530 138.5523 29.52969 177.3055 33.32896 -38.75317      44.52889 
1 1 1 -27 15 5  o 271.3448 36.74634 2406.311       569.7566 0.000000       0.000000 2406.311       569.7566 ?        ?        271.3448 36.74634 0.000000       36.74634 
1 1 1 -27 15 6  o 143.0403 21.48827 633.1966       174.6977 655.6047       203.6253 570.7072       340.0415 144.3606 24.95333 130.3728 40.35396 13.98778       47.44587 
1 1 1 -27 15 7  o 181.0254 16.66949 989.3066       174.9892 1019.821       208.7261 917.1271       321.0195 182.7725 19.78741 167.1502 33.90805 15.62230       39.25937 
1 1 1 -27 15 8  o 207.8807 27.10144 1358.614       322.5536 0.000000       0.000000 1358.614       322.5536 ?        ?        207.8807 27.10144 0.000000       27.10144 
1 1 1 -27 15 9  o 162.4248 17.66873 801.5798       165.6000 782.4287       195.1838 850.7853       312.8629 159.1612 21.45610 160.4169 34.29409 -1.255768      40.45304 
1 1 1 -27 15 10 o 231.5589 13.64540 1601.703       184.4883 1444.950       227.1736 1905.325       316.1676 218.4471 17.88867 249.2042 21.85371 -30.75711      28.24162 
1 1 1 -27 15 11 o 341.4957 12.10396 3466.383       242.0338 3617.415       331.0492 3292.948       354.7541 346.9757 16.31401 329.9297 18.40690 17.04602       24.59595 
1 1 1 -27 15 12 o 165.1412 17.65212 830.1671       168.3148 733.8592       197.5705 1085.056       321.4155 153.3488 22.64871 182.8016 31.09256 -29.45284      38.46702 
1 1 1 -27 15 13 o 126.6950 22.22600 504.5640       159.1277 537.4462       185.5733 413.2251       309.2881 129.6831 25.30835 112.7105 38.72645 16.97263       46.26284 
1 1 1 -27 15 14 o 268.9338 12.92044 2160.109       203.1894 2130.299       256.0906 2210.764       333.8282 265.5432 16.52593 267.8989 21.42564 -2.355743      27.05853 
1 1 1 -27 15 15 o 206.8682 14.94801 1290.062       180.1311 1378.453       219.8149 1109.355       314.2961 212.6938 17.78451 184.3244 30.11282 28.36945       34.97243 
1 1 1 -27 15 16 o 214.4807 15.19250 1389.580       189.8664 1407.029       237.4381 1358.636       316.1953 214.0358 19.11633 205.9424 26.81559 8.093369       32.93190 
1 1 1 -27 15 17 o 142.6949 21.81332 642.9073       176.7614 778.3685       202.6666 212.3070       361.3365 156.8311 22.69316 96.40704 39.67902 60.42402       45.71000 
1 1 1 -27 15 18 o 102.2542 25.27500 344.4473       150.6971 342.9015       164.2352 352.6812       379.0384 101.4793 27.08925 106.4017 41.70823 -4.922409      49.73333 
1 1 1 -27 15 19 o 119.1805 22.56794 458.8791       151.9681 552.6771       182.6646 247.9960       273.8915 129.8918 24.88415 92.01525 35.62819 37.87653       43.45790 
1 1 1 -27 15 20 f 39.61742 19.12296 -189.2569      133.6716 -272.6187      155.6044 45.51074       261.1304 40.19790 19.67723 74.25109 32.25367 -34.05319      37.78217 
1 1 1 -27 15 21 o 209.0995 13.31397 1325.995       162.4238 1361.585       205.7248 1267.095       264.6522 209.8387 16.85845 197.9094 23.24378 11.92926       28.71377 
1 1 1 -27 15 22 o 222.0013 12.13413 1488.311       157.3839 1487.520       193.0064 1489.881       271.8904 220.2555 15.03160 215.3705 21.82674 4.884933       26.50199 
1 1 1 -27 15 23 o 126.0130 19.46664 508.9822       139.2346 409.6454       166.4628 740.3457       254.0442 109.1362 26.31584 144.1087 30.98056 -34.97255      40.64872 
1 1 1 -27 15 24 o 72.51701 25.85583 164.8493       138.6692 129.1091       168.2048 240.6738       244.9994 70.30354 27.71567 86.66735 33.65831 -16.36382      43.60091 
1 1 1 -27 15 25 o 229.6408 12.35808 1602.349       165.8241 1621.886       216.6351 1574.703       257.6945 228.1393 16.29854 221.4915 20.05510 6.647766       25.84278 
1 1 1 -27 15 26 o 52.84838 22.91615 13.12055       131.3434 170.4213       162.2561 -285.8689      223.6987 73.85650 27.70090 50.09734 24.31402 23.75916       36.85799 
1 1 1 -27 15 27 o 54.08370 22.90754 36.95844       125.6707 161.9608       157.6677 -180.7977      208.0984 72.01363 27.24167 51.93711 24.74489 20.07652       36.80242 
1 1 1 -27 15 28 o 98.23204 22.30613 330.5107       125.5644 306.5559       158.9821 370.2295       204.7151 91.64854 27.43970 98.00747 31.44331 -6.358925      41.73271 
1 1 1 -27 15 29 o 98.37254 22.94167 336.2810       129.9150 385.6511       168.9695 264.8958       203.1796 102.1544 27.56884 84.60983 31.13655 17.54456       41.58756 
1 1 1 -27 15 30 o 160.9907 15.05538 817.7437       140.5000 922.9063       192.0236 696.5762       206.1184 166.7872 20.03132 139.1660 26.21565 27.62126       32.99264 
1 1 1 -27 15 31 o 152.8746 16.60583 752.2714       146.4945 845.7250       199.0304 641.7863       216.4079 156.9824 22.24005 129.7442 29.15302 27.23817       36.66768 
1 1 1 -27 15 32 o 96.60159 24.62962 341.0601       139.9431 391.5898       183.1339 270.1429       216.9560 99.47077 29.36913 82.95285 31.81673 16.51792       43.29955 
1 1 1 -27 15 33 o 75.13711 26.10322 207.1444       140.6709 264.8537       186.8098 131.5652       213.7852 82.14478 29.91563 69.71517 29.71596 12.42961       42.16614 
1 1 1 -27 15 34 o 58.32364 24.15735 81.61337       135.0810 -20.10902      171.2979 248.8898       219.6651 53.86576 24.55223 79.58235 31.57829 -25.71659      40.00000 
1 1 1 -27 15 35 o 107.0116 22.36615 409.3107       135.8416 317.4794       166.7501 590.4960       234.2243 88.81898 28.36623 116.6472 32.84885 -27.82822      43.40150 
1 1 1 -27 15 36 o 108.8114 26.97680 460.5122       171.2923 0.000000       0.000000 460.5122       171.2923 ?        ?        108.8114 26.97680 0.000000       26.97680 
1 1 1 -27 16 1  o 145.4511 23.15923 659.3834       190.9386 632.6272       221.3763 737.1101       377.3156 140.6955 27.81492 146.6022 41.83120 -5.906738      50.23463 
1 1 1 -27 16 2  o 267.7098 14.40960 2140.707       225.4049 2155.999       277.7104 2111.183       385.8762 267.3896 17.81066 260.8492 25.55103 6.540344       31.14602 
1 1 1 -27 16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 16 4  o 397.8802 12.39219 4701.817       288.8160 4124.073       376.4212 5528.754       450.3419 370.3312 17.37986 428.5447 17.95806 -58.21344      24.99103 
1 1 1 -27 16 5  o 383.9288 19.59252 4462.842       439.6967 0.000000       0.000000 4462.842       439.6967 ?        ?        383.9288 19.59252 0.000000       19.59252 
1 1 1 -27 16 6  o 263.4473 13.85095 2071.672       213.2531 2235.385       265.3464 1773.052       358.3697 272.6253 16.67551 238.3594 26.06004 34.26590       30.93862 
1 1 1 -27 16 7  o 110.8372 46.09464 242.1050       494.6224 0.000000       0.000000 242.1050       494.6224 ?        ?        110.8372 46.09464 0.000000       46.09464 
1 1 1 -27 16 8  o 58.09573 24.83466 8.309674       150.0886 -27.52216      170.2733 133.1344       317.8062 58.52757 25.71932 89.91607 37.13038 -31.38850      45.16800 
1 1 1 -27 16 9  o 140.1155 20.28833 606.5872       161.8722 773.0775       190.7201 177.6975       306.1081 158.1931 21.08123 92.07787 37.02751 66.11525       42.60816 
1 1 1 -27 16 10 o 130.1701 22.10687 530.4902       162.7373 653.2655       190.5434 199.4931       312.8604 144.2988 23.30971 94.18363 37.58321 50.11518       44.22488 
1 1 1 -27 16 11 o 140.7689 20.48944 614.2291       164.1950 696.8576       194.4343 408.8143       306.5659 149.1406 22.96519 112.3255 38.55698 36.81510       44.87807 
1 1 1 -27 16 12 o 184.3175 15.92242 1027.238       170.4319 943.7272       201.4637 1237.430       319.6195 175.1002 19.97509 196.3635 28.59292 -21.26337      34.87921 
1 1 1 -27 16 13 o 194.0949 15.37183 1137.318       173.5528 1211.503       206.3948 958.2469       320.6669 199.3941 17.83786 169.3457 33.47411 30.04836       37.93027 
1 1 1 -27 16 14 o 431.5464 12.22056 5551.374       308.9807 5688.498       445.4015 5424.169       428.9899 433.1158 17.57113 423.1127 17.32447 10.00311       24.67553 
1 1 1 -27 16 15 f 40.26543 19.58167 -241.1754      147.0609 -258.0196      171.3814 -194.1381      286.3910 44.29630 21.44717 65.50484 30.52326 -21.20853      37.30483 
1 1 1 -27 16 16 o 121.3225 22.68377 470.9562       155.4690 506.4321       170.3078 293.5780       380.8190 125.3188 24.04656 103.0582 41.34924 22.26057       47.83301 
1 1 1 -27 16 17 o 89.51999 26.62198 263.4321       150.0391 322.4456       163.5534 -50.04324      376.9512 98.35926 27.35970 81.63071 36.89503 16.72855       45.93252 
1 1 1 -27 16 18 o 111.5219 23.28443 405.3676       147.3671 434.4479       163.9625 283.1335       336.1564 114.7257 25.07081 98.16593 39.02795 16.55979       46.38671 
1 1 1 -27 16 19 o 175.1931 15.33464 939.9072       155.9713 939.6124       196.2347 940.4131       257.0200 172.8397 19.71085 168.2351 26.95968 4.604584       33.39673 
1 1 1 -27 16 20 o 191.7365 13.95052 1119.176       155.7989 1215.899       193.5066 940.9277       262.6894 198.2876 16.79777 167.0352 27.79148 31.25237       32.47355 
1 1 1 -27 16 21 o 111.4903 21.75006 406.3411       137.1073 376.2267       161.9833 482.4285       257.4775 104.9168 26.36159 113.9248 35.08914 -9.008003      43.88828 
1 1 1 -27 16 22 o 193.5515 13.69747 1143.514       154.4803 1226.597       191.4507 988.4858       261.5218 198.7127 16.57878 170.6861 27.02412 28.02654       31.70424 
1 1 1 -27 16 23 o 223.1378 12.97651 1514.772       169.0844 1422.795       214.4364 1665.953       274.9217 213.2846 17.29123 227.7953 20.80803 -14.51065      27.05477 
1 1 1 -27 16 24 o 94.53379 24.33569 305.8986       135.7188 295.3436       162.2926 330.4485       247.5120 91.58474 27.79116 95.16985 34.46715 -3.585114      44.27565 
1 1 1 -27 16 25 o 121.5920 20.17130 483.2463       138.8048 459.9090       170.5369 529.0524       238.9209 114.8694 25.93079 117.6171 33.19559 -2.747749      42.12307 
1 1 1 -27 16 26 o 33.61549 16.70438 -282.6742      127.6247 -349.0260      160.1368 -167.1578      211.2938 37.47045 18.63526 53.12106 25.20132 -15.65061      31.34293 
1 1 1 -27 16 27 o 69.37623 24.97654 155.4570       129.7339 113.0517       169.4293 215.5576       201.7056 67.16404 27.35160 79.92319 30.67217 -12.75915      41.09613 
1 1 1 -27 16 28 o 40.85083 19.42749 -125.3782      127.0903 -232.9839      161.9287 47.23523       205.0896 41.94551 20.43222 64.58515 28.30855 -22.63964      34.91203 
1 1 1 -27 16 29 o 195.9121 13.21880 1187.941       150.9920 1406.712       201.7447 909.3365       227.6675 210.2612 16.49224 161.1049 24.89772 49.15628       29.86454 
1 1 1 -27 16 30 o 54.01728 24.07913 -0.4601910     154.5377 165.2189       175.2627 -579.3429      327.6053 71.76968 28.29194 52.66679 26.26696 19.10289       38.60553 
1 1 1 -27 16 31 o 100.6571 24.06169 364.7869       140.1112 457.5241       190.8726 256.4292       206.3225 108.1518 29.34982 81.82843 31.11452 26.32342       42.77295 
1 1 1 -27 16 32 o 111.3050 22.43388 435.6153       141.3790 444.2310       184.9078 423.4903       219.3572 106.4238 28.89041 99.89729 32.58981 6.526520       43.55171 
1 1 1 -27 16 33 o 99.65276 23.03238 356.7707       131.9126 430.6038       170.4602 246.5448       208.2759 105.8158 27.29022 79.65301 31.00553 26.16283       41.30495 
1 1 1 -27 16 34 o 74.65878 24.91774 206.9255       127.9906 148.4392       152.5760 345.8235       235.1295 67.02923 26.40534 88.47158 33.31136 -21.44235      42.50751 
1 1 1 -27 16 35 o 81.19852 27.87296 260.9738       160.2081 478.5197       375.7374 212.6353       177.1151 93.57993 39.62196 74.86247 28.73877 18.71745       48.94708 
1 1 1 -27 16 36 o 41.26945 20.18011 -221.2369      162.3576 -270.4174      324.4627 -204.8094      187.5230 57.97616 28.38704 45.71076 22.20275 12.26540       36.03868 
1 1 1 -27 17 1  o 53.22671 23.88420 -58.91475      154.7576 -71.98640      169.3129 7.455713       381.5156 54.99794 24.80438 88.47916 38.70020 -33.48122      45.96697 
1 1 1 -27 17 2  o 228.0757 15.71139 1562.390       208.8730 1547.046       246.2280 1601.767       394.4497 225.8197 18.76125 223.7253 30.88566 2.094437       36.13735 
1 1 1 -27 17 3  o 295.0583 29.72041 2755.734       507.2960 0.000000       0.000000 2755.734       507.2960 ?        ?        295.0583 29.72041 0.000000       29.72041 
1 1 1 -27 17 4  o 257.6062 14.11617 1983.147       212.4520 1937.309       259.8274 2075.615       369.0367 253.2930 17.60034 258.7492 24.61483 -5.456223      30.25990 
1 1 1 -27 17 5  o 264.9749 24.29761 2174.432       373.3891 0.000000       0.000000 2174.432       373.3891 ?        ?        264.9749 24.29761 0.000000       24.29761 
1 1 1 -27 17 6  o 211.7880 16.18583 1351.550       199.5190 1341.972       240.4799 1372.708       357.3979 209.6584 19.79185 206.8116 30.37052 2.846817       36.25032 
1 1 1 -27 17 7  o 109.3885 29.10914 389.6929       190.0121 325.2269       221.2706 570.7374       370.8095 101.0478 32.71452 129.3960 42.38213 -28.34824      53.53957 
1 1 1 -27 17 8  o 130.7832 25.57232 545.9848       189.1115 536.3875       225.4423 568.7741       347.3965 127.7640 30.50874 128.9233 40.91692 -1.159348      51.03898 
1 1 1 -27 17 9  o 144.0522 50.47470 751.2479       526.6074 0.000000       0.000000 751.2479       526.6074 ?        ?        144.0522 50.47470 0.000000       50.47470 
1 1 1 -27 17 10 o 213.3728 14.52686 1367.660       180.7022 1205.907       214.4697 1763.474       335.4956 198.7669 18.61460 237.5622 24.42786 -38.79538      30.71194 
1 1 1 -27 17 11 o 150.6977 19.77222 701.8820       170.5369 726.3649       196.1131 625.9518       345.3675 152.1734 22.66492 133.6160 40.54050 18.55740       46.44600 
1 1 1 -27 17 12 o 71.85337 26.89044 132.5930       152.7257 134.0295       174.1705 127.8133       317.7027 74.33886 28.50875 88.23067 36.83714 -13.89181      46.58029 
1 1 1 -27 17 13 f 171.4578 16.50965 894.9974       163.9642 1002.970       191.6770 600.4744       316.5723 180.8444 18.32501 130.6687 38.62252 50.17567       42.74933 
1 1 1 -27 17 14 f 80.54630 27.28740 199.1646       153.4612 378.2839       177.5845 -329.0561      304.9590 106.8291 28.00716 62.18744 29.71853 44.64164       40.83616 
1 1 1 -27 17 15 o 65.32451 24.96407 103.5057       133.2404 213.1383       149.6601 -315.4940      292.5789 82.11343 26.92701 60.78782 29.06582 21.32561       39.62178 
1 1 1 -27 17 16 o 169.1215 15.15891 871.4044       148.7617 912.3924       179.8318 782.5583       264.7628 171.7349 18.12814 151.8073 30.79253 19.92760       35.73247 
1 1 1 -27 17 17 o 204.0375 13.54630 1258.935       161.1814 1214.532       194.2126 1357.202       288.9182 198.7784 16.81698 205.1668 24.49470 -6.388367      29.71197 
1 1 1 -27 17 18 o 135.7543 21.19038 589.8187       163.2018 605.0074       182.0263 527.5684       368.5060 136.1937 23.64639 117.6513 42.12664 18.54233       48.30948 
1 1 1 -27 17 19 o 52.15808 22.59348 3.853867       127.4036 83.29668       147.7064 -227.0094      251.7963 63.76015 25.69255 57.70489 27.41491 6.055260       37.57239 
1 1 1 -27 17 20 o 58.91243 23.64402 70.32168       124.5552 78.05812       145.4649 49.06369       241.1285 62.66866 25.40897 71.50166 31.02704 -8.832993      40.10353 
1 1 1 -27 17 21 o 57.65775 23.62876 57.91214       127.4290 66.35831       147.3892 32.90949       253.5880 61.41988 25.31687 71.31025 31.36006 -9.890369      40.30381 
1 1 1 -27 17 22 o 157.5697 15.79017 771.2574       143.9544 786.0500       171.4364 735.8904       265.0813 157.1946 18.97954 141.8974 32.54708 15.29721       37.67672 
1 1 1 -27 17 23 o 137.6278 18.48594 604.0023       145.4404 609.9799       175.7514 591.0146       259.0608 135.5420 22.92587 124.5477 34.35347 10.99432       41.30081 
1 1 1 -27 17 24 o 147.6800 16.88941 688.2188       143.6528 636.2640       176.0548 791.7156       248.4845 138.3441 22.46909 148.6626 29.54136 -10.31850      37.11538 
1 1 1 -27 17 25 o 54.70729 23.43976 28.90383       134.2610 -46.34827      164.7838 177.5175       231.5712 53.20230 24.18401 78.40288 31.95847 -25.20058      40.07755 
1 1 1 -27 17 26 o 56.38380 23.47324 55.10080       128.4611 208.8504       158.1407 -243.1762      220.2655 77.89830 27.62833 50.85576 24.54760 27.04254       36.95821 
1 1 1 -27 17 27 o 55.22361 23.40465 42.33721       131.3185 106.3530       165.9399 -64.92847      214.8017 65.93007 26.98506 58.48485 26.96586 7.445221       38.14906 
1 1 1 -27 17 28 o 65.32085 25.23583 125.9079       137.1860 103.6527       171.9704 164.8560       227.5001 65.83932 27.26247 75.42935 31.30599 -9.590027      41.51273 
1 1 1 -27 17 29 o 114.4904 22.05768 451.1362       142.7369 406.5895       184.2659 517.9684       225.6992 102.7502 29.20462 113.1202 32.37724 -10.36997      43.60270 
1 1 1 -27 17 30 o 91.60983 25.23276 307.7890       139.8731 387.9417       179.1957 182.8036       223.7681 99.97903 28.92220 75.48045 31.16158 24.49858       42.51514 
1 1 1 -27 17 31 o 117.6951 21.20836 476.8913       141.0077 487.1603       193.3419 465.2225       206.0988 111.4838 29.22130 106.8282 31.05103 4.655632       42.63861 
1 1 1 -27 17 32 o 123.0593 27.80190 577.9130       195.9023 1109.377       462.8950 461.9547       216.2203 134.3629 47.30368 104.6485 32.14132 29.71442       57.19006 
1 1 1 -27 17 33 o 101.4508 26.02002 390.6684       155.5488 386.3550       210.8146 395.8228       230.4532 94.75826 31.98307 94.40110 33.36439 0.3571625      46.21795 
1 1 1 -27 17 34 o 58.09813 25.12291 59.13261       156.9796 -432.2242      391.8718 153.0530       171.3269 59.68223 29.59093 68.30621 27.61853 -8.623985      40.47723 
1 1 1 -27 17 35 o 44.74620 21.45764 -145.9153      162.0066 -339.4630      335.7321 -87.16792      184.9666 57.27666 28.20996 51.08828 24.03700 6.188381       37.06183 
1 1 1 -27 18 1  o 105.2661 28.52488 359.5122       180.4504 524.7734       204.5689 -219.9862      383.0720 127.3104 28.14722 77.28702 35.76800 50.02341       45.51501 
1 1 1 -27 18 2  f 238.5077 15.90760 1711.614       221.2422 1765.400       248.8472 1508.733       483.2993 241.5244 17.69067 209.9157 40.72690 31.60870       44.40315 
1 1 1 -27 18 3  o 137.8968 21.74751 592.7324       170.0575 594.2309       183.8202 583.8345       447.9310 137.3619 23.67241 131.2389 46.50313 6.122925       52.18165 
1 1 1 -27 18 4  o 184.6878 16.40003 1031.372       175.7919 915.6104       197.5341 1472.101       385.4296 172.7080 19.86324 213.0394 31.82253 -40.33142      37.51295 
1 1 1 -27 18 5  o 200.5148 15.57754 1211.411       181.7514 999.1395       209.2926 1862.499       366.5453 180.3428 20.13104 243.5711 26.06443 -63.22836      32.93347 
1 1 1 -27 18 6  o 228.4979 14.27945 1565.330       190.4004 1507.184       226.1586 1706.845       352.8214 223.0061 17.43041 232.8076 26.30083 -9.801498      31.55238 
1 1 1 -27 18 7  o 280.0885 13.61951 2345.687       223.0506 2299.760       270.5557 2443.132       394.0941 275.9472 16.79741 280.1627 24.22267 -4.215515      29.47695 
1 1 1 -27 18 8  o 203.5407 17.41879 1258.669       205.9343 1419.711       247.2286 893.7023       372.1817 215.1885 19.81201 159.9233 39.83239 55.26520       44.48747 
1 1 1 -27 18 9  o 277.4144 14.05568 2306.735       227.9364 2483.643       289.9455 2020.522       368.7968 286.2798 17.35078 253.6239 25.12380 32.65584       30.53284 
1 1 1 -27 18 10 o 78.45542 28.54413 171.7138       170.0152 237.9502       195.9557 -29.95895      341.9268 88.48771 30.80453 80.86829 35.94680 7.619415       47.34017 
1 1 1 -27 18 11 f 155.7087 49.98452 937.9933       517.2722 0.000000       0.000000 937.9933       517.2722 ?        ?        155.7087 49.98452 0.000000       49.98452 
1 1 1 -27 18 12 o 68.99913 25.93779 121.3340       142.4315 102.7388       161.5102 186.3878       302.0899 69.00253 27.17210 90.55985 36.65311 -21.55733      45.62646 
1 1 1 -27 18 13 o 136.8136 20.36362 587.2407       158.4208 725.9977       187.1880 236.9753       297.4056 151.7877 21.63970 93.80798 36.89281 57.97973       42.77097 
1 1 1 -27 18 14 o 131.0174 20.58431 541.9564       152.9574 706.4059       181.1965 134.2243       285.3127 149.5944 21.25019 84.18712 35.00978 65.40727       40.95431 
1 1 1 -27 18 15 o 360.6292 11.51231 3888.960       243.1740 3713.341       329.7084 4098.445       360.0975 349.1342 16.14599 366.2545 16.80916 -17.12030      23.30753 
1 1 1 -27 18 16 o 70.00362 25.50364 139.8882       135.7893 92.99713       145.8023 446.5317       372.8518 65.05152 25.75429 111.6683 41.96855 -46.61673      49.24067 
1 1 1 -27 18 17 o 213.9511 14.80113 1396.195       184.5758 1356.297       209.6345 1533.797       389.3091 209.4460 17.21824 209.8840 32.69192 -0.4379883     36.94901 
1 1 1 -27 18 18 o 193.5209 15.00788 1147.057       169.0021 1096.990       189.1204 1345.537       376.5475 187.8917 17.35865 193.9160 34.36776 -6.024338      38.50281 
1 1 1 -27 18 19 o 54.97683 23.14960 33.13498       127.1189 -90.28214      147.9398 381.3682       248.5035 48.16976 22.26986 102.5356 34.72404 -54.36585      41.25174 
1 1 1 -27 18 20 o 72.69269 24.57701 169.0789       124.4864 90.80995       143.8522 402.4858       248.4156 63.68512 25.46058 104.2878 34.71213 -40.60271      43.04850 
1 1 1 -27 18 21 o 55.57071 23.07079 46.19015       123.6044 96.03590       142.5171 -105.1180      248.3042 63.95811 25.41716 62.26028 28.80783 1.697826       38.41774 
1 1 1 -27 18 22 o 55.58865 23.38422 39.44112       129.5068 31.10394       153.1756 60.34025       242.5181 58.32671 25.01439 71.34460 31.03609 -13.01789      39.86174 
1 1 1 -27 18 23 o 121.9144 20.05166 484.5429       138.3892 530.0615       168.0471 388.6219       243.9459 125.2328 23.74911 100.8452 34.40052 24.38756       41.80210 
1 1 1 -27 18 24 o 48.63866 22.04004 -41.94880      135.5499 -105.3799      167.6818 77.66717       230.2657 49.85477 23.27225 70.33279 30.42037 -20.47802      38.30140 
1 1 1 -27 18 25 f 50.70143 22.23651 2.238614       126.7149 -79.65421      152.9998 181.0854       226.1040 48.79487 22.58996 77.89442 31.64302 -29.09955      38.87913 
1 1 1 -27 18 26 o 140.3318 16.82991 628.4307       135.7524 476.0619       165.6701 939.8085       236.8317 116.3810 25.01711 164.2747 25.40079 -47.89369      35.65186 
1 1 1 -27 18 27 o 50.69851 22.57624 -10.28736      135.4848 36.53413       169.2007 -93.95154      226.1774 59.50803 25.90485 58.01860 27.06501 1.489437       37.46433 
1 1 1 -27 18 28 o 81.38582 26.25976 240.9974       142.6438 272.1664       181.7037 190.9379       230.2745 84.85712 29.65516 77.24136 31.72104 7.615761       43.42411 
1 1 1 -27 18 29 o 38.77154 18.84369 -189.0852      135.6266 -337.7023      175.3028 32.51334       214.0612 39.87119 19.77249 63.34665 28.28191 -23.47546      34.50822 
1 1 1 -27 18 30 o 106.5583 26.42114 424.2056       164.2950 362.9406       185.1378 651.2650       356.4173 95.38224 29.81650 111.6791 41.21459 -16.29684      50.86910 
1 1 1 -27 18 31 o 141.8682 16.67508 653.6585       136.0945 469.2246       174.9108 936.6279       216.6537 111.2986 27.06199 163.1573 23.30292 -51.85876      35.71243 
1 1 1 -27 18 32 o 85.82111 35.23004 319.2365       283.8887 935.9155       444.2602 -106.3697      369.0726 121.8645 45.80919 67.62273 32.41707 54.24181       56.11906 
1 1 1 -27 18 33 o 98.50533 25.49983 367.1389       148.4525 348.5886       377.6128 370.5300       161.4525 86.58817 38.16620 97.32375 27.22471 -10.73558      46.88116 
1 1 1 -27 18 34 o 51.29495 23.56358 -34.94206      161.9095 -7.393661      372.9211 -41.34115      179.7330 70.27164 33.37895 53.20912 24.58083 17.06253       41.45325 
1 1 1 -27 19 1  o 283.8300 13.78898 2410.011       228.8440 2153.350       273.4334 3010.166       418.1223 266.5958 17.58653 311.9732 23.01462 -45.37747      28.96479 
1 1 1 -27 19 2  o 222.1589 15.65785 1487.646       202.7009 1487.211       235.5600 1488.885       397.8899 221.0248 18.33722 212.9421 32.92126 8.082748       37.68373 
1 1 1 -27 19 3  o 233.5314 15.11301 1640.458       205.8772 1430.846       239.3389 2236.825       403.7029 216.4263 19.05036 266.5862 26.15743 -50.15991      32.35935 
1 1 1 -27 19 4  o 569.8047 28.52813 10289.72       950.3120 0.000000       0.000000 10289.72       950.3120 ?        ?        569.8047 28.52813 0.000000       28.52813 
1 1 1 -27 19 5  o 74.42268 28.46825 134.1792       173.3804 103.8307       188.0377 306.3957       447.9333 72.82809 29.11153 109.8968 44.57668 -37.06875      53.24060 
1 1 1 -27 19 6  o 286.9738 13.60121 2465.040       228.2614 2498.055       277.2717 2395.612       402.0869 287.5197 16.51269 276.2925 25.08743 11.22723       30.03411 
1 1 1 -27 19 7  o 157.0708 18.44848 757.8466       166.7083 662.1460       187.8065 1113.436       362.0157 144.9509 22.84796 181.4066 35.29775 -36.45566      42.04712 
1 1 1 -27 19 8  o 154.9014 19.02794 740.1414       169.2340 920.6879       194.0729 167.1376       345.7396 172.7854 19.49148 93.18845 38.62756 79.59694       43.26669 
1 1 1 -27 19 9  o 162.8132 19.58153 820.2107       183.2278 940.7554       213.3801 481.7972       357.5227 173.6663 21.40245 118.5336 41.58511 55.13264       46.76950 
1 1 1 -27 19 10 o 88.51519 27.43326 252.8152       157.0918 333.1143       179.5472 -9.324239      324.4065 100.2940 28.93161 79.48051 35.18856 20.81345       45.55516 
1 1 1 -27 19 11 o 167.1306 16.13710 852.3538       156.2081 994.7593       181.7160 449.2280       305.7384 180.1032 17.42091 113.7913 38.51594 66.31199       42.27252 
1 1 1 -27 19 12 o 114.7927 22.56722 423.8969       146.5113 479.9203       167.5949 242.3077       301.7318 121.5189 24.36506 94.01945 37.10353 27.49947       44.38838 
1 1 1 -27 19 13 o 138.2335 47.94622 767.5442       474.5066 0.000000       0.000000 767.5442       474.5066 ?        ?        138.2335 47.94622 0.000000       47.94622 
1 1 1 -27 19 14 f 125.2258 19.20543 494.0080       136.5550 556.1627       156.7092 297.9143       278.3490 132.2191 20.90328 96.64426 36.27462 35.57486       41.86640 
1 1 1 -27 19 15 o 90.39385 24.39215 271.1635       132.2823 370.6754       153.4989 -16.02556      260.7664 105.4051 25.17747 70.25560 31.30068 35.14951       40.17011 
1 1 1 -27 19 16 o 52.33528 23.12714 -18.70560      139.4958 75.70845       152.0452 -520.8588      350.6490 63.57803 25.90325 60.12248 29.45305 3.455547       39.22322 
1 1 1 -27 19 17 o 75.76450 25.53777 183.5607       134.4086 231.1246       146.1080 -78.26538      342.8007 83.32724 26.54593 74.85775 34.35043 8.469490       43.41242 
1 1 1 -27 19 18 o 264.4824 13.59948 2126.634       210.2368 2120.618       244.2430 2143.837       413.0428 262.3774 15.94781 251.1626 28.54663 11.21484       32.69928 
1 1 1 -27 19 19 o 49.14588 21.52474 -6.436337      118.3695 5.754228       133.1236 -52.46918      258.6883 53.03532 23.03356 66.59537 30.28345 -13.56005      38.04776 
1 1 1 -27 19 20 o 127.9700 19.66561 526.7800       142.8775 522.5228       170.7325 536.7286       260.9956 124.7447 24.21030 118.6812 35.06607 6.063499       42.61183 
1 1 1 -27 19 21 o 203.6592 13.23629 1266.534       157.2395 1524.782       201.1798 861.1135       252.0688 221.8932 15.55789 156.9905 28.42376 64.90271       32.40306 
1 1 1 -27 19 22 o 51.03844 22.70602 -18.08813      136.7139 -119.5601      169.8685 168.4980       230.3455 49.62526 23.24900 78.31245 31.89171 -28.68719      39.46640 
1 1 1 -27 19 23 o 68.76017 25.28316 146.3360       133.9234 182.8752       164.7188 75.07793       230.0281 75.29776 27.97606 70.13463 30.36960 5.163132       41.29131 
1 1 1 -27 19 24 o 88.56517 25.84933 278.9473       142.5681 312.0403       179.6724 222.6902       234.2620 91.84866 29.45638 82.11959 32.60239 9.729065       43.93853 
1 1 1 -27 19 25 o 63.87543 25.13236 110.4358       138.0717 7.405437       168.4833 321.1172       240.9281 57.38090 25.38396 91.37165 33.85568 -33.99075      42.31492 
1 1 1 -27 19 26 o 69.31975 25.61434 155.0835       137.7400 -38.26280      169.0281 537.2625       237.6426 53.79009 24.46772 115.5833 33.26719 -61.79322      41.29619 
1 1 1 -27 19 27 o 65.75220 25.40408 130.0834       139.0278 186.3635       174.0714 30.93910       231.0383 74.46370 28.51471 65.41338 29.28061 9.050316       40.87105 
1 1 1 -27 19 28 o 84.37212 25.51205 260.6117       136.9338 393.1007       175.1141 52.09481       219.6857 101.4184 28.34699 65.29880 28.93117 36.11959       40.50388 
1 1 1 -27 19 29 o 112.1691 22.10348 438.0185       140.2334 413.4173       183.9588 472.1475       216.6726 102.6978 29.17712 106.9252 32.03841 -4.227364      43.33317 
1 1 1 -27 19 30 o 89.75871 26.41133 304.8250       148.3149 401.5662       194.1308 169.1895       229.8664 99.47611 30.43706 73.82696 31.11080 25.64915       43.52352 
1 1 1 -27 19 31 o 82.90872 26.53318 262.1278       145.8380 150.2723       468.4322 274.1334       153.4650 80.92048 38.12840 84.26400 27.24183 -3.343521      46.86034 
1 1 1 -27 19 32 o 103.2285 25.54207 401.4596       153.7816 -135.7180      445.9860 473.9460       163.8290 70.51110 34.24690 112.6605 25.40350 -42.14941      42.64022 
1 1 1 -27 19 33 o 58.00985 24.56898 71.97195       144.5463 -99.17167      393.4436 98.67620       155.4148 68.49445 32.99805 61.69704 25.76220 6.797417       41.86361 
1 1 1 -27 19 34 o 42.17239 20.33708 -158.5682      150.3264 -676.6860      429.6445 -86.29224      160.4693 57.09208 28.70245 47.66568 22.41483 9.426403       36.41779 
1 1 1 -27 20 1  o 60.18477 26.18215 -6.607134      172.6027 4.858922       194.3507 -49.41061      375.5074 64.54153 27.93151 83.26371 37.29562 -18.72218      46.59541 
1 1 1 -27 20 2  o 156.2314 21.03299 760.3135       187.8258 651.8631       204.0142 1363.468       481.1262 142.6387 25.31489 194.7171 43.25570 -52.07838      50.11885 
1 1 1 -27 20 3  o 246.4129 14.37881 1825.329       206.8931 1911.748       246.9539 1621.873       378.9200 251.0524 16.87056 223.6114 29.62159 27.44109       34.08892 
1 1 1 -27 20 4  o 48.77361 22.52900 -104.2411      150.9121 2.059847       166.6196 -589.6308      356.0433 59.87338 25.88668 60.60842 29.68853 -0.7350349     39.38945 
1 1 1 -27 20 5  o 201.0937 15.57131 1224.113       182.2131 1169.184       198.6076 1516.217       458.0006 195.7095 17.48755 208.7511 38.83894 -13.04160      42.59434 
1 1 1 -27 20 6  o 204.9491 15.23445 1270.463       181.8052 1194.319       210.4849 1494.163       360.7746 197.3075 18.40196 214.0022 29.53174 -16.69467      34.79591 
1 1 1 -27 20 7  o 288.2885 13.34210 2492.864       224.9691 2600.291       274.8255 2274.668       391.6730 292.9941 16.05501 267.7878 25.23678 25.20636       29.91084 
1 1 1 -27 20 8  o 193.1484 15.94259 1134.646       178.9861 1270.382       213.2329 810.9142       329.3057 203.4406 18.05915 151.3431 37.33554 52.09753       41.47380 
1 1 1 -27 20 9  o 83.19221 26.12333 222.0550       141.9525 289.2384       157.8780 -61.46155      324.3245 93.66233 27.16302 76.10332 34.32587 17.55901       43.77322 
1 1 1 -27 20 10 o 293.7576 20.77475 2687.021       355.6024 0.000000       0.000000 2687.021       355.6024 ?        ?        293.7576 20.77475 0.000000       20.77475 
1 1 1 -27 20 11 o 97.29117 25.45117 313.4224       146.8591 328.1439       169.1495 268.3475       295.9804 98.88187 27.93918 95.32719 37.00224 3.554680       46.36554 
1 1 1 -27 20 12 o 39.61927 19.02136 -168.7953      128.1484 -63.43499      140.5534 -687.8768      311.9756 49.14810 22.33883 51.76307 25.78691 -2.614971      34.11727 
1 1 1 -27 20 13 o 57.85035 24.05523 44.21584       134.6801 89.35954       152.6073 -114.7767      286.3947 65.41035 26.19898 67.87500 31.23812 -2.464653      40.77017 
1 1 1 -27 20 14 o 239.7651 12.66122 1734.501       177.4067 1862.672       216.4334 1472.051       309.7087 247.1026 15.00543 212.0762 25.40567 35.02640       29.50611 
1 1 1 -27 20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 20 16 o 206.2010 13.02889 1289.536       156.7554 1210.127       188.6800 1466.474       281.6451 197.8222 16.41054 212.9072 22.91640 -15.08498      28.18629 
1 1 1 -27 20 17 o 162.0879 17.55263 822.8813       164.1970 905.5624       184.5336 508.5632       359.7966 169.2717 18.91107 113.3306 41.47907 55.94106       45.58664 
1 1 1 -27 20 18 o 41.72725 19.75792 -127.8668      128.6766 -72.23890      137.9003 -502.4626      357.8493 47.35370 21.75063 60.54051 29.67772 -13.18681      36.79479 
1 1 1 -27 20 19 o 69.12384 26.30767 134.4785       147.5811 194.0171       164.2463 -115.0587      336.2512 77.83860 28.09264 71.30538 33.17482 6.533218       43.47142 
1 1 1 -27 20 20 o 135.8598 17.33363 583.6707       134.9708 598.9529       159.2905 544.7684       254.1463 135.6713 20.67168 119.2499 34.42763 16.42138       40.15694 
1 1 1 -27 20 21 o 78.14822 25.41052 207.2638       133.4140 321.9790       165.3453 -6.771660      225.8522 94.93760 27.87340 64.49915 28.90481 30.43845       40.15488 
1 1 1 -27 20 22 o 152.5001 15.97021 730.9772       140.7181 813.3978       177.1012 589.8353       231.7563 158.4816 19.46243 125.1454 31.58103 33.33621       37.09646 
1 1 1 -27 20 23 o 64.88358 25.06315 118.7909       135.3003 76.65482       169.5203 192.7390       224.5733 63.74119 26.78019 78.92597 31.72332 -15.18478      41.51563 
1 1 1 -27 20 24 o 77.70681 26.15942 210.3963       141.0331 158.3874       176.0550 303.5499       235.6188 72.38488 28.40997 89.60040 33.42656 -17.21552      43.86869 
1 1 1 -27 20 25 o 118.8843 24.26292 494.2330       163.4354 546.3826       190.5092 348.8687       318.0676 122.6551 27.19725 93.08109 37.63284 29.57396       46.43190 
1 1 1 -27 20 26 o 63.08981 24.94820 109.9077       136.6694 86.23384       168.8583 154.8705       232.7101 63.63839 26.73186 74.55190 31.35287 -10.91352      41.20188 
1 1 1 -27 20 27 o 53.39071 23.30807 20.39703       137.8121 100.8640       175.7455 -108.0883      222.0763 65.28153 27.33688 56.17894 26.40272 9.102592       38.00538 
1 1 1 -27 20 28 o 129.1065 19.10767 555.0598       140.3165 528.8633       179.1674 596.6136       225.6538 119.9021 26.21184 121.9496 31.37222 -2.047554      40.88125 
1 1 1 -27 20 29 o 69.34219 31.45039 57.69975       276.7775 572.0559       501.9211 -167.0486      331.7812 99.29778 43.87508 63.76807 30.61294 35.52972       53.49929 
1 1 1 -27 20 30 o 70.67886 26.39740 175.0508       147.0255 346.0084       508.3210 159.4431       153.5903 88.79767 41.13257 68.96215 26.68602 19.83552       49.03093 
1 1 1 -27 20 31 o 77.13943 27.65044 227.4397       158.8033 -373.2367      446.1875 314.5657       169.9304 64.92546 32.07919 88.52596 28.66981 -23.60050      43.02362 
1 1 1 -27 20 32 o 133.4173 21.23618 619.7868       160.6006 188.9964       402.0902 701.5565       175.1809 79.22854 36.65902 141.4663 21.81507 -62.23779      42.65889 
1 1 1 -27 20 33 o 104.6698 23.80419 403.5847       142.8129 249.3190       432.3682 422.4763       151.3049 81.43563 37.79591 106.2701 24.74107 -24.83450      45.17357 
1 1 1 -27 21 1  o 59.27840 25.29256 19.35126       155.1499 39.18923       173.0137 -62.10729      350.5905 63.90708 26.96385 79.14976 35.69537 -15.24268      44.73487 
1 1 1 -27 21 2  o 144.8087 19.82302 654.2784       163.9364 623.0712       186.3347 761.1807       344.8731 139.5696 23.60494 145.1443 39.47778 -5.574677      45.99661 
1 1 1 -27 21 3  o 103.4095 25.67791 351.1920       155.0148 227.4604       172.8396 859.9612       350.4800 85.24872 28.95823 154.8894 38.69675 -69.64069      48.33236 
1 1 1 -27 21 4  o 141.8806 19.85908 629.2886       160.7271 587.5619       182.0064 777.0900       342.5459 135.2500 23.81507 146.6121 39.11544 -11.36212      45.79493 
1 1 1 -27 21 5  f 148.0772 19.71435 684.6179       166.9570 648.7130       181.1173 887.6768       430.7183 142.8853 22.34479 152.0283 45.07993 -9.142960      50.31391 
1 1 1 -27 21 6  o 140.3817 18.90169 613.9736       151.6679 650.1924       170.7598 478.6286       330.0955 143.6369 20.88189 116.1304 40.00385 27.50654       45.12605 
1 1 1 -27 21 7  o 126.8653 19.07923 504.1914       137.5649 442.0316       149.9743 833.8589       345.3822 117.1593 22.64620 151.3334 38.75085 -34.17403      44.88295 
1 1 1 -27 21 8  o 117.7929 22.34350 446.5440       148.7092 500.1278       166.0296 229.1733       334.4022 124.2103 23.65539 94.51682 38.44998 29.69344       45.14397 
1 1 1 -27 21 9  o 69.96783 26.07091 133.1308       143.2458 142.2780       160.5164 97.35359       317.4536 72.79120 27.49769 83.80833 35.97800 -11.01714      45.28288 
1 1 1 -27 21 10 o 92.64203 25.10183 285.0388       139.7472 280.8070       154.8483 303.6159       324.4389 91.65872 26.99113 98.86864 38.63675 -7.209915      47.13087 
1 1 1 -27 21 11 o 157.2365 17.67371 768.5115       160.1603 834.5017       186.5787 583.7209       312.2209 162.6925 19.97295 124.7189 38.67865 37.97357       43.53110 
1 1 1 -27 21 12 o 79.80687 25.19917 207.9625       131.9126 125.2670       146.9993 549.9377       298.9313 68.86472 26.24458 121.0885 37.89261 -52.22380      46.09369 
1 1 1 -27 21 13 o 38.34291 18.57009 -191.7433      128.7237 -334.3889      145.2375 330.6998       277.9515 35.73261 17.76702 98.30725 36.37531 -62.57464      40.48247 
1 1 1 -27 21 14 o 50.10667 21.93656 -7.583375      122.8307 72.49693       136.7449 -342.0996      279.4839 60.95874 24.66466 56.78815 27.46963 4.170589       36.91782 
1 1 1 -27 21 15 o 179.3653 16.74990 999.5582       174.1606 988.7498       190.4494 1054.759       430.3990 177.2513 18.59721 159.0047 44.44014 18.24657       48.17450 
1 1 1 -27 21 16 o 151.6836 18.11873 725.3913       157.9982 609.5818       169.0329 1526.514       444.5788 136.8139 21.79713 198.8958 39.50609 -62.08192      45.12035 
1 1 1 -27 21 17 o 220.9454 34.66716 1787.817       434.4445 0.000000       0.000000 1787.817       434.4445 ?        ?        220.9454 34.66716 0.000000       34.66716 
1 1 1 -27 21 18 o 105.7447 23.78666 377.7914       143.9339 436.6517       159.4050 117.9540       334.9203 113.3543 24.67946 82.83612 36.24531 30.51820       43.84972 
1 1 1 -27 21 19 o 77.00925 26.92578 195.5267       149.8068 344.3409       168.0910 -379.0460      330.2895 98.43176 27.86521 60.47793 29.39637 37.95383       40.50452 
1 1 1 -27 21 20 o 52.08880 22.73025 5.375610       130.9464 78.77965       159.6812 -145.3410      228.8097 63.42199 26.26672 56.96072 26.77950 6.461269       37.51110 
1 1 1 -27 21 21 o 125.4970 18.32898 507.9408       130.9237 581.1869       159.9498 359.2346       227.9060 132.3822 21.32612 96.78831 33.24372 35.59386       39.49618 
1 1 1 -27 21 22 o 58.91040 24.03210 73.78580       131.0732 78.79208       161.4034 64.09019       224.6176 63.03872 26.28290 68.34599 29.79818 -5.307270      39.73314 
1 1 1 -27 21 23 o 80.89771 24.66750 229.6652       127.6516 149.5934       154.1982 404.0485       227.5580 69.94441 26.82419 100.9708 33.20821 -31.02636      42.68867 
1 1 1 -27 21 24 f 53.98649 22.96553 37.48607       127.2414 88.54124       155.3897 -66.41617      221.6740 62.85569 25.96031 59.04042 27.28315 3.815262       37.66043 
1 1 1 -27 21 25 f 97.63255 25.23450 344.0531       145.5322 624.2523       186.5900 -91.14944      232.5416 132.9830 24.83759 58.63630 27.38286 74.34667       36.96926 
1 1 1 -27 21 26 o 62.29720 25.05108 103.0129       140.1091 -10.90286      177.5583 290.9884       228.0866 56.35765 25.41088 86.19418 32.72855 -29.83652      41.43514 
1 1 1 -27 21 27 o 42.09024 20.34525 -183.2941      152.6234 27.16186       205.0984 -444.4529      228.4726 61.85569 27.64520 44.35194 22.09050 17.50375       35.38710 
1 1 1 -27 21 28 o 114.8489 22.52821 462.7045       146.3179 61.24095       531.2172 495.6626       152.2054 81.31733 38.95792 118.8518 22.66293 -37.53451      45.07026 
1 1 1 -27 21 29 o 128.1849 21.02053 564.6948       152.5542 56.76860       497.2364 617.4733       160.2843 79.35756 37.93045 134.0766 21.07877 -54.71906      43.39394 
1 1 1 -27 21 30 o 85.47253 26.63447 281.6884       147.8540 -252.9092      422.4267 356.3242       157.8380 66.47555 32.51515 95.94421 26.94685 -29.46867      42.22994 
1 1 1 -27 21 31 o 45.07220 21.31157 -103.9959      148.7111 -29.12008      418.4476 -114.8199      159.0972 72.12075 34.55849 46.11911 21.87618 26.00164       40.90057 
1 1 1 -27 21 32 o 63.12661 25.94623 114.6364       154.2302 -60.89273      444.7034 138.6360       164.4362 71.85522 34.73180 66.29505 26.96500 5.560173       43.97055 
1 1 1 -27 22 1  o 52.42623 22.88713 -8.773875      132.8809 -52.87989      144.1302 241.1440       343.0874 50.78006 22.89530 95.93196 38.97557 -45.15191      45.20276 
1 1 1 -27 22 2  o 183.2219 15.69565 1024.676       167.0350 1043.644       191.2872 963.7739       342.7525 183.8192 17.97311 164.4708 36.48852 19.34840       40.67487 
1 1 1 -27 22 3  o 190.0615 15.59299 1101.877       172.2829 1005.023       197.2934 1412.889       353.5425 179.7944 18.99747 205.3798 30.25730 -25.58542      35.72685 
1 1 1 -27 22 4  o 245.8410 13.31957 1821.837       191.3243 1852.396       228.4326 1750.022       350.1819 246.4978 15.88595 232.2198 26.16755 14.27805       30.61215 
1 1 1 -27 22 5  o 226.1412 14.69762 1552.387       193.8734 1636.726       214.8277 1182.229       450.0589 231.5553 15.91602 174.8804 43.94131 56.67490       46.73498 
1 1 1 -27 22 6  o 94.93826 24.70924 298.5283       138.8887 256.4078       153.7128 485.8473       324.1562 88.02578 27.11171 115.2835 39.64504 -27.25773      48.02889 
1 1 1 -27 22 7  o 295.1523 12.59173 2620.555       217.4618 2852.109       273.9229 2225.872       357.6233 306.1173 15.30629 264.0120 23.33685 42.10529       27.90862 
1 1 1 -27 22 8  o 155.2342 16.31663 743.0436       146.3303 771.9815       163.4030 625.8655       328.8132 157.4329 18.02200 128.4291 39.67014 29.00381       43.57193 
1 1 1 -27 22 9  o 124.6354 20.46214 496.1873       144.3836 562.7510       163.9494 266.1725       304.7679 132.1417 21.92327 94.18207 37.25154 37.95967       43.22392 
1 1 1 -27 22 10 o 109.7689 21.98746 392.4976       136.6100 367.3055       151.6421 500.9993       314.7069 104.7324 25.02987 115.3474 39.07653 -10.61500      46.40549 
1 1 1 -27 22 11 o 45.23613 21.04981 -99.43075      135.4700 -75.85407      151.8790 -191.1955      299.6363 50.05714 22.93067 65.34692 30.69798 -15.28978      38.31686 
1 1 1 -27 22 12 o 109.4360 22.16301 392.5499       137.3627 424.3438       153.9639 268.5100       304.1081 112.9502 23.98432 93.29226 37.11096 19.65791       44.18678 
1 1 1 -27 22 13 f 57.77574 24.01742 48.60939       134.2030 49.21089       150.0397 46.20278       300.1175 60.18224 25.23391 77.04131 33.98893 -16.85907      42.33199 
1 1 1 -27 22 14 o 77.72205 24.55777 199.6539       125.2631 191.1910       138.2797 238.3630       295.7377 76.71624 25.90293 89.67232 36.27588 -12.95608      44.57467 
1 1 1 -27 22 15 o 92.65462 24.52258 291.4836       135.3146 276.5453       156.5795 335.5492       268.9272 89.53316 27.32372 96.97132 35.79807 -7.438156      45.03429 
1 1 1 -27 22 16 o 190.1088 14.59419 1111.429       161.4726 1087.583       203.0590 1152.443       266.3042 185.1528 18.96781 185.6427 25.10224 -0.4898682     31.46268 
1 1 1 -27 22 17 o 54.93359 23.42877 27.96865       133.0262 40.47469       160.9540 1.013643       236.2988 60.28066 25.74192 66.65858 29.74068 -6.377922      39.33389 
1 1 1 -27 22 18 o 66.85909 25.17870 129.1913       134.3495 213.2536       167.6598 -21.63384      224.5770 79.85432 28.43486 63.52616 28.61630 16.32817       40.34146 
1 1 1 -27 22 19 o 95.08843 39.28167 326.0922       355.8879 0.000000       0.000000 326.0922       355.8879 ?        ?        95.08843 39.28167 0.000000       39.28167 
1 1 1 -27 22 20 o 206.6679 12.99784 1310.142       156.7435 1330.966       201.7775 1278.455       248.9057 205.2392 16.91337 196.4204 21.98383 8.818832       27.73717 
1 1 1 -27 22 21 f 92.20474 24.18347 297.3461       132.3680 228.4791       162.9791 430.8103       226.8865 80.66486 28.09249 104.7276 33.04559 -24.06271      43.37279 
1 1 1 -27 22 22 o 122.6730 18.55029 489.9963       129.2962 558.8386       156.2758 340.6218       230.1985 129.1619 21.37750 93.46568 33.31472 35.69623       39.58369 
1 1 1 -27 22 23 o 56.19724 23.65545 51.16891       132.6633 -55.03439      165.8083 240.1059       221.1546 52.17372 23.92220 82.30993 31.97501 -30.13621      39.93335 
1 1 1 -27 22 24 o 86.81641 25.59031 273.6880       139.1352 375.4301       180.8796 126.2508       217.7422 99.03358 29.17413 71.25971 30.16652 27.77387       41.96604 
1 1 1 -27 22 25 o 78.33451 24.33111 219.4463       123.4966 245.5682       147.2514 157.5023       226.7549 81.68246 26.70495 73.89457 31.00480 7.787888       40.92007 
1 1 1 -27 22 26 o 102.2686 24.96529 380.8292       148.4083 0.000000       0.000000 380.8292       148.4083 ?        ?        102.2686 24.96529 0.000000       24.96529 
1 1 1 -27 22 27 o 99.48080 26.26725 370.8388       155.4874 0.000000       0.000000 370.8388       155.4874 ?        ?        99.48080 26.26725 0.000000       26.26725 
1 1 1 -27 22 28 f 109.8530 26.71262 455.2671       170.4135 0.000000       0.000000 455.2671       170.4135 ?        ?        109.8530 26.71262 0.000000       26.71262 
1 1 1 -27 22 29 o 95.82640 26.62165 352.8494       154.9547 0.000000       0.000000 352.8494       154.9547 ?        ?        95.82640 26.62165 0.000000       26.62165 
1 1 1 -27 22 30 o 114.5220 22.40403 466.3603       145.0837 262.5494       402.0137 496.8804       155.5678 82.65837 37.65157 117.3509 23.42486 -34.69255      44.34371 
1 1 1 -27 22 31 o 44.88925 21.35247 -120.2215      153.6835 -14.06883      415.8039 -137.0173      165.3954 72.17356 34.54775 45.83635 21.89952 26.33721       40.90398 
1 1 1 -27 23 1  o 257.5984 12.83894 2000.253       193.3535 2085.174       229.3466 1791.578       359.5159 261.7339 15.00395 233.5307 26.73075 28.20311       30.65373 
1 1 1 -27 23 2  o 295.5642 13.72610 2642.207       237.2803 2677.229       269.8197 2522.709       498.4071 296.2234 15.58599 271.5257 31.90662 24.69772       35.50993 
1 1 1 -27 23 3  o 191.8684 15.09952 1124.341       168.5410 928.5944       194.0943 1724.392       339.8286 171.9237 19.59945 229.9125 25.63847 -57.98878      32.27180 
1 1 1 -27 23 4  o 192.2158 16.37588 1136.697       182.8492 1003.382       200.5041 1795.265       445.6401 178.8235 19.43023 225.4520 34.82471 -46.62851      39.87849 
1 1 1 -27 23 5  o 169.5010 16.90828 888.7755       165.8424 778.7185       178.5302 1581.552       447.9190 157.0526 19.82355 207.6907 38.17974 -50.63808      43.01936 
1 1 1 -27 23 6  o 64.94980 25.37547 100.2260       139.9180 16.26958       156.0256 445.0204       316.1906 58.31075 25.12971 110.0800 39.06433 -51.76925      46.44917 
1 1 1 -27 23 7  o 162.2517 16.16294 812.5341       151.7577 846.0775       170.8294 686.9684       330.5178 164.6439 17.98367 133.6266 39.45556 31.01730       43.36074 
1 1 1 -27 23 8  o 180.5970 15.42784 1001.643       161.8418 1037.715       188.3475 899.8514       316.3950 182.4920 17.82509 157.2135 35.19406 25.27844       39.45067 
1 1 1 -27 23 9  o 71.31893 24.98830 156.0461       129.0652 124.4699       142.3129 302.3525       306.3344 68.02757 25.84720 96.30301 37.56950 -28.27544      45.60203 
1 1 1 -27 23 10 f 130.6863 19.71234 545.1012       146.3889 556.8118       166.0284 504.2001       310.2834 130.5868 22.49011 114.5929 38.80108 15.99387       44.84784 
1 1 1 -27 23 11 o 213.1349 13.82270 1384.562       171.8498 1433.947       206.4232 1273.042       310.1944 215.2258 16.47894 193.4347 28.17011 21.79108       32.63604 
1 1 1 -27 23 12 o 47.05096 21.40040 -54.94863      129.2697 -152.1059      143.8931 351.4936       294.3077 43.44794 20.66525 99.23936 37.28915 -55.79142      42.63254 
1 1 1 -27 23 13 o 152.6076 17.06505 729.1772       150.1217 747.2739       172.1109 671.6187       306.9463 152.9973 19.63305 131.0490 37.83560 21.94839       42.62616 
1 1 1 -27 23 14 o 58.45831 23.30947 74.11000       120.2535 106.4913       132.5127 -77.00526      286.2624 64.13358 24.79552 68.11527 31.30565 -3.981697      39.93572 
1 1 1 -27 23 15 o 65.38755 24.39193 122.2149       125.4594 27.95276       141.5379 467.8299       271.0195 56.31683 24.09658 109.7708 36.24738 -53.45397      43.52606 
1 1 1 -27 23 16 o 115.8906 20.34587 438.8918       133.2428 343.4402       156.2155 693.7343       255.2516 99.01441 26.41431 136.8070 32.32915 -37.79259      41.74793 
1 1 1 -27 23 17 o 107.6501 20.78977 383.1010       126.5023 314.0721       148.7960 563.0887       240.2687 94.56307 26.01688 121.7109 32.88688 -27.14785      41.93358 
1 1 1 -27 23 18 o 56.21461 23.41698 51.81371       127.9581 71.52188       157.0853 12.94750       220.5965 62.11842 25.91636 64.76108 28.82484 -2.642654      38.76247 
1 1 1 -27 23 19 o 126.9891 19.10122 524.7809       137.8566 535.7894       174.3563 506.4221       225.1621 124.3665 24.77527 114.6910 32.17500 9.675522       40.60843 
1 1 1 -27 23 20 o 143.2056 16.21087 649.1656       133.7583 695.4717       162.3452 551.2913       236.0231 146.0344 19.43770 118.8195 32.79702 27.21487       38.12439 
1 1 1 -27 23 21 o 102.8169 38.66391 459.9120       316.5440 0.000000       0.000000 459.9120       316.5440 ?        ?        102.8169 38.66391 0.000000       38.66391 
1 1 1 -27 23 22 o 75.94173 25.56158 201.6123       134.6607 210.8433       168.6714 185.3869       223.6224 77.70152 28.40633 77.16174 31.42294 0.5397873      42.35942 
1 1 1 -27 23 23 o 36.21863 17.74350 -211.2437      127.2907 -227.9565      157.8422 -180.1579      215.2681 41.23809 20.10650 52.17495 24.94324 -10.93687      32.03804 
1 1 1 -27 23 24 o 88.25487 25.60932 285.5908       140.2974 0.000000       0.000000 285.5908       140.2974 ?        ?        88.25487 25.60932 0.000000       25.60932 
1 1 1 -27 23 25 o 67.72636 25.01009 152.7427       131.2826 0.000000       0.000000 152.7427       131.2826 ?        ?        67.72636 25.01009 0.000000       25.01009 
1 1 1 -27 23 26 o 72.36929 26.69343 184.3140       149.4746 0.000000       0.000000 184.3140       149.4746 ?        ?        72.36929 26.69343 0.000000       26.69343 
1 1 1 -27 23 27 o 83.12596 27.76789 265.9520       158.9393 0.000000       0.000000 265.9520       158.9393 ?        ?        83.12596 27.76789 0.000000       27.76789 
1 1 1 -27 23 28 f 58.39351 24.77808 69.30191       147.4838 0.000000       0.000000 69.30191       147.4838 ?        ?        58.39351 24.77808 0.000000       24.77808 
1 1 1 -27 23 29 o 152.3125 18.57089 775.8058       162.4638 0.000000       0.000000 775.8058       162.4638 ?        ?        152.3125 18.57089 0.000000       18.57089 
1 1 1 -27 23 30 o 97.18941 27.38546 371.8518       162.7419 0.000000       0.000000 371.8518       162.7419 ?        ?        97.18941 27.38546 0.000000       27.38546 
1 1 1 -27 24 1  o 137.7375 17.52601 593.0440       138.3730 536.3148       152.0450 866.6054       333.8846 129.3288 20.74725 152.0770 37.64008 -22.74818      42.97934 
1 1 1 -27 24 2  o 146.3143 17.40435 667.8338       146.4232 664.6617       163.3963 680.7670       329.9262 144.7495 19.76311 132.7190 39.47929 12.03046       44.14969 
1 1 1 -27 24 3  o 129.3301 21.06234 538.0768       154.2633 582.4816       175.8875 390.0623       321.1232 133.3988 23.33104 104.4881 39.01470 28.91065       45.45860 
1 1 1 -27 24 4  o 130.6128 22.54771 555.6653       166.4775 542.4047       181.3447 626.7357       419.8240 127.5319 25.13983 123.6596 44.87438 3.872322       51.43658 
1 1 1 -27 24 5  o 156.2888 17.76829 763.9311       159.9757 785.1387       184.3352 699.2198       321.9973 156.8931 20.52506 134.6997 38.70993 22.19333       43.81480 
1 1 1 -27 24 6  o 86.76297 25.49832 253.3065       138.3103 191.2978       153.4657 521.5598       319.1959 77.70347 27.24648 116.2423 39.35442 -38.53885      47.86587 
1 1 1 -27 24 7  o 141.5769 18.55260 632.9506       150.3421 746.4661       171.4837 255.8503       312.5530 153.3562 19.50737 92.39908 37.32379 60.95717       42.11416 
1 1 1 -27 24 8  o 61.82595 24.52376 85.75745       132.4375 187.3612       147.2652 -343.9381      302.8487 76.67133 26.70374 59.44704 28.71650 17.22429       39.21386 
1 1 1 -27 24 9  o 173.3372 15.52829 927.5195       156.1871 1101.672       180.4115 406.4978       312.0522 188.4273 16.49170 104.5454 38.56740 83.88192       41.94545 
1 1 1 -27 24 10 o 57.62193 23.84595 52.29026       131.4632 -8.262798      144.6505 339.6987       315.1387 53.76793 23.66379 98.48757 38.19426 -44.71964      44.93079 
1 1 1 -27 24 11 o 95.15627 24.71059 308.0481       139.1112 252.5636       158.4449 494.6910       290.6016 85.95535 27.67078 112.8763 37.54329 -26.92098      46.63873 
1 1 1 -27 24 12 o 87.72259 24.70691 262.1201       132.4941 365.7917       151.1746 -81.32178      275.1539 103.3918 25.17081 66.63383 30.64943 36.75797       39.66053 
1 1 1 -27 24 13 o 239.4852 12.48812 1741.562       174.7927 1823.937       217.5300 1591.458       293.6413 243.0027 15.34193 220.0644 23.09558 22.93832       27.72689 
1 1 1 -27 24 14 o 87.19592 25.06387 261.9731       134.9764 349.4436       157.7622 23.06301       260.7290 99.85944 26.50146 70.43930 31.34568 29.42014       41.04728 
1 1 1 -27 24 15 o 76.26025 25.35504 195.3119       132.5473 194.9017       141.4169 198.2774       380.2537 76.40274 26.18862 88.65536 38.70966 -12.25262      46.73630 
1 1 1 -27 24 16 o 130.5943 17.66136 545.0834       131.8052 351.2292       153.1999 1097.393       258.5902 99.77818 25.94217 179.1074 25.32328 -79.32924      36.25280 
1 1 1 -27 24 17 o 65.82739 25.27012 123.7481       136.9404 141.4399       153.0191 52.58611       306.8908 69.32880 26.68713 74.96304 33.63617 -5.634232      42.93710 
1 1 1 -27 24 18 o 90.21291 23.61319 282.5592       126.3658 202.5809       148.8921 488.5278       238.9384 76.95595 26.84776 111.0475 33.72593 -34.09157      43.10732 
1 1 1 -27 24 19 o 157.3642 15.75203 780.4302       143.4241 810.1107       183.8900 734.3345       229.1674 156.7573 20.49248 142.2193 28.46949 14.53806       35.07782 
1 1 1 -27 24 20 f 86.69763 24.64631 266.7325       131.2224 302.7960       162.5634 199.2890       222.3099 90.58404 27.87804 78.63593 31.57818 11.94811       42.12323 
1 1 1 -27 24 21 o 68.21326 24.59243 152.4493       125.8267 257.5848       155.0579 -50.28172      215.3176 83.87258 27.40261 59.00711 27.13094 24.86547       38.56152 
1 1 1 -27 24 22 o 129.9676 30.66329 652.7635       229.9214 0.000000       0.000000 652.7635       229.9214 ?        ?        129.9676 30.66329 0.000000       30.66329 
1 1 1 -27 24 23 o 63.16633 30.22343 -174.9251      317.4972 0.000000       0.000000 -174.9251      317.4972 ?        ?        63.16633 30.22343 0.000000       30.22343 
1 1 1 -27 24 24 o 157.9129 16.45433 802.9384       150.1544 0.000000       0.000000 802.9384       150.1544 ?        ?        157.9129 16.45433 0.000000       16.45433 
1 1 1 -27 24 25 o 66.63615 25.71282 141.9963       142.2957 0.000000       0.000000 141.9963       142.2957 ?        ?        66.63615 25.71282 0.000000       25.71282 
1 1 1 -27 24 26 o 185.4995 14.86872 1092.945       160.4049 0.000000       0.000000 1092.945       160.4049 ?        ?        185.4995 14.86872 0.000000       14.86872 
1 1 1 -27 24 27 o 113.6458 24.32228 471.0953       157.2135 0.000000       0.000000 471.0953       157.2135 ?        ?        113.6458 24.32228 0.000000       24.32228 
1 1 1 -27 24 28 o 53.26231 23.87581 3.514431       154.2172 0.000000       0.000000 3.514431       154.2172 ?        ?        53.26231 23.87581 0.000000       23.87581 
1 1 1 -27 24 29 o 93.03319 27.60037 342.8390       161.4243 0.000000       0.000000 342.8390       161.4243 ?        ?        93.03319 27.60037 0.000000       27.60037 
1 1 1 -27 25 1  o 105.0173 22.59400 364.3353       135.0262 397.8391       147.1558 185.8691       339.6319 109.3230 23.64099 88.87657 37.65216 20.44640       44.45876 
1 1 1 -27 25 2  f 146.3788 38.06357 822.0558       329.7801 0.000000       0.000000 822.0558       329.7801 ?        ?        146.3788 38.06357 0.000000       38.06357 
1 1 1 -27 25 3  o 86.93523 25.09803 254.9565       135.0676 228.6109       143.1550 468.5604       407.6212 82.67528 26.26919 110.4542 43.26541 -27.77888      50.61587 
1 1 1 -27 25 4  o 125.6736 20.85397 510.5408       148.3182 370.8866       167.0244 1031.345       322.5451 103.6431 27.15672 168.8404 33.75412 -65.19726      43.32238 
1 1 1 -27 25 5  o 181.9595 15.17783 1019.053       160.4962 931.6942       184.1513 1295.071       327.3333 171.9575 18.55345 193.4280 29.81140 -21.47054      35.11339 
1 1 1 -27 25 6  o 162.9286 15.77301 821.7679       148.8342 781.0601       168.2550 968.1991       319.1139 157.2209 18.60794 162.3428 34.57680 -5.121872      39.26590 
1 1 1 -27 25 7  o 78.75399 25.75598 205.3060       136.9668 231.5356       151.8753 91.03693       316.9972 82.94901 27.12112 80.68729 35.28462 2.261719       44.50348 
1 1 1 -27 25 8  o 143.1954 17.49728 645.2208       143.8947 750.8699       164.4947 300.8790       296.9709 153.9554 18.59445 94.40692 36.94402 59.54852       41.35957 
1 1 1 -27 25 9  o 192.9075 14.38321 1142.485       161.5543 1136.532       186.8382 1160.122       321.6085 190.8208 16.86867 180.2818 31.56719 10.53902       35.79161 
1 1 1 -27 25 10 o 168.0714 15.63424 876.8688       152.3394 911.5905       177.4331 779.4939       297.1373 169.8419 18.09120 142.8597 35.59564 26.98222       39.92920 
1 1 1 -27 25 11 o 66.53975 24.51664 130.5256       126.0323 107.4623       143.3356 209.1232       264.6051 65.15263 25.61544 84.38797 34.24952 -19.23534      42.76892 
1 1 1 -27 25 12 o 114.0083 20.70435 426.8115       133.3386 441.3560       155.3417 386.1008       259.8925 113.9943 23.99595 100.5477 35.44075 13.44654       42.80015 
1 1 1 -27 25 13 o 96.58988 22.93927 317.0330       128.0020 244.2515       146.3333 554.1596       264.1332 83.78310 26.55175 118.5215 35.34083 -34.73840      44.20373 
1 1 1 -27 25 14 o 107.1125 21.94497 385.3650       133.2171 442.2331       154.6905 222.1220       262.0877 113.6236 23.96890 84.05864 34.09708 29.56493       41.67876 
1 1 1 -27 25 15 o 78.53231 23.51347 211.4231       116.7394 175.6197       131.7089 342.6172       252.1218 72.79275 25.25976 94.60126 34.70613 -21.80852      42.92518 
1 1 1 -27 25 16 o 38.98771 18.60027 -129.2352      118.4017 -235.7819      134.9487 227.0636       246.7777 36.97045 18.14411 83.16523 33.31393 -46.19478      37.93451 
1 1 1 -27 25 17 o 150.4965 16.23545 716.6345       141.0334 637.9078       170.6078 886.5351       250.6313 138.0370 21.79691 157.0236 28.25452 -18.98665      35.68506 
1 1 1 -27 25 18 o 192.1055 14.02507 1145.505       156.9252 1185.650       198.8359 1079.202       255.5322 192.2592 17.83767 175.9336 25.50863 16.32565       31.12671 
1 1 1 -27 25 19 o 149.8114 16.91745 718.1132       146.0412 899.7336       189.3974 451.7646       229.3596 165.3063 19.93814 105.8713 33.20040 59.43503       38.72720 
1 1 1 -27 25 20 o 43.94727 20.21094 -56.05453      119.5777 0.000000       0.000000 -56.05453      119.5777 ?        ?        43.94727 20.21094 0.000000       20.21094 
1 1 1 -27 25 21 o 95.93890 24.09805 328.7986       135.3914 0.000000       0.000000 328.7986       135.3914 ?        ?        95.93890 24.09805 0.000000       24.09805 
1 1 1 -27 25 22 f 51.71609 22.69179 12.46153       132.0917 0.000000       0.000000 12.46153       132.0917 ?        ?        51.71609 22.69179 0.000000       22.69179 
1 1 1 -27 25 23 o 52.44089 23.15735 9.781810       139.6227 0.000000       0.000000 9.781810       139.6227 ?        ?        52.44089 23.15735 0.000000       23.15735 
1 1 1 -27 25 24 o 70.61204 27.47599 166.4330       163.5082 0.000000       0.000000 166.4330       163.5082 ?        ?        70.61204 27.47599 0.000000       27.47599 
1 1 1 -27 25 25 o 218.0434 19.79036 1595.555       250.3199 0.000000       0.000000 1595.555       250.3199 ?        ?        218.0434 19.79036 0.000000       19.79036 
1 1 1 -27 25 26 o 47.13449 22.05865 -81.72298      152.2392 0.000000       0.000000 -81.72298      152.2392 ?        ?        47.13449 22.05865 0.000000       22.05865 
1 1 1 -27 25 27 o 82.27608 27.33825 263.9791       154.0988 0.000000       0.000000 263.9791       154.0988 ?        ?        82.27608 27.33825 0.000000       27.33825 
1 1 1 -27 25 28 o 52.96340 24.20318 -23.27308      167.8510 0.000000       0.000000 -23.27308      167.8510 ?        ?        52.96340 24.20318 0.000000       24.20318 
1 1 1 -27 26 1  o 73.62828 26.50248 168.2110       146.0624 181.1981       152.4221 22.25002       510.9868 75.75686 27.09687 89.96762 41.52087 -14.21076      49.58047 
1 1 1 -27 26 2  o 164.8152 15.90007 842.9832       151.7847 915.4317       170.1245 560.2628       336.0709 171.0290 17.19386 117.6865 40.37070 53.34248       43.87963 
1 1 1 -27 26 3  o 123.8061 18.60513 488.7640       130.9167 356.6674       144.0912 1113.650       313.3950 102.6101 24.31802 176.9868 31.33941 -74.37665      39.66768 
1 1 1 -27 26 4  o 168.7526 33.16817 1037.144       316.5539 0.000000       0.000000 1037.144       316.5539 ?        ?        168.7526 33.16817 0.000000       33.16817 
1 1 1 -27 26 5  o 57.51575 24.25974 41.24356       139.9823 50.70621       152.0896 -11.19169      358.0179 60.21635 25.33665 77.93505 35.51226 -17.71870      43.62415 
1 1 1 -27 26 6  f 39.78244 18.96399 -136.8048      122.5589 -125.1831      135.4392 -189.3359      287.9507 43.18615 20.39527 62.92012 29.72198 -19.73397      36.04668 
1 1 1 -27 26 7  o 95.52239 23.89052 310.3467       133.4831 294.0776       149.1087 375.9948       299.5236 91.99382 26.31188 100.0853 37.61577 -8.091522      45.90491 
1 1 1 -27 26 8  o 92.01370 24.38410 290.1495       133.6820 360.3409       152.3178 54.79794       278.9120 102.0477 25.51923 74.23650 32.75821 27.81117       41.52507 
1 1 1 -27 26 9  o 208.9209 13.68774 1338.248       166.7883 1449.011       199.0710 1077.368       305.5145 215.8631 15.83477 172.5313 31.34781 43.33180       35.12016 
1 1 1 -27 26 10 o 61.02564 23.91748 93.17355       124.6268 30.59028       140.7000 321.1015       268.5120 56.13868 24.02286 93.65625 35.52256 -37.51757      42.88298 
1 1 1 -27 26 11 o 75.80164 24.48532 194.1805       123.9954 271.3113       142.3195 -48.82775      252.6161 87.96161 25.86918 64.80166 29.64292 23.15995       39.34358 
1 1 1 -27 26 12 o 131.2708 33.01287 659.0970       253.8720 0.000000       0.000000 659.0970       253.8720 ?        ?        131.2708 33.01287 0.000000       33.01287 
1 1 1 -27 26 13 o 45.68298 20.80180 -47.64342      122.5754 -20.90175      139.7814 -136.6501      255.0155 51.03745 22.81548 60.27667 28.31741 -9.239216      36.36512 
1 1 1 -27 26 14 o 138.5808 18.07992 617.4319       143.4430 590.3492       168.7527 687.9557       272.3159 132.4038 22.53874 131.6928 34.75686 0.7110138      41.42504 
1 1 1 -27 26 15 o 146.9953 16.68943 686.5510       141.3345 705.4943       170.2245 644.5109       253.5866 146.3928 20.37845 128.2737 33.38918 18.11908       39.11673 
1 1 1 -27 26 16 o 171.5825 14.12035 915.1308       140.8354 1023.934       168.3851 661.8046       256.9352 180.0477 16.11678 129.3330 33.58097 50.71478       37.24826 
1 1 1 -27 26 17 o 99.88199 23.12039 346.4203       132.7566 336.7057       159.0979 368.6912       240.8902 95.85056 27.10103 95.85381 34.08872 -0.3242493E-02 43.54890 
1 1 1 -27 26 18 o 106.7988 22.11628 391.6941       133.9625 0.000000       0.000000 391.6941       133.9625 ?        ?        106.7988 22.11628 0.000000       22.11628 
1 1 1 -27 26 19 o 68.65175 25.80146 151.9289       140.9211 0.000000       0.000000 151.9289       140.9211 ?        ?        68.65175 25.80146 0.000000       25.80146 
1 1 1 -27 26 20 o 174.9095 14.03853 957.3655       142.7993 0.000000       0.000000 957.3655       142.7993 ?        ?        174.9095 14.03853 0.000000       14.03853 
1 1 1 -27 26 21 o 47.74693 21.92461 -50.69487      139.9698 0.000000       0.000000 -50.69487      139.9698 ?        ?        47.74693 21.92461 0.000000       21.92461 
1 1 1 -27 26 22 f 60.56757 24.74252 92.07451       139.1734 0.000000       0.000000 92.07451       139.1734 ?        ?        60.56757 24.74252 0.000000       24.74252 
1 1 1 -27 26 23 o 50.63573 22.75156 -12.25837      140.9420 0.000000       0.000000 -12.25837      140.9420 ?        ?        50.63573 22.75156 0.000000       22.75156 
1 1 1 -27 26 24 o 157.5039 17.57239 814.3631       159.5584 0.000000       0.000000 814.3631       159.5584 ?        ?        157.5039 17.57239 0.000000       17.57239 
1 1 1 -27 26 25 o 57.41320 25.43365 30.46042       169.7189 0.000000       0.000000 30.46042       169.7189 ?        ?        57.41320 25.43365 0.000000       25.43365 
1 1 1 -27 26 26 o 146.9383 22.44842 760.6966       187.3228 0.000000       0.000000 760.6966       187.3228 ?        ?        146.9383 22.44842 0.000000       22.44842 
1 1 1 -27 26 27 o 78.95580 30.17397 248.8165       194.6598 0.000000       0.000000 248.8165       194.6598 ?        ?        78.95580 30.17397 0.000000       30.17397 
1 1 1 -27 27 1  o 185.9074 15.13402 1069.948       163.5805 1089.929       188.9860 1010.254       326.6459 186.0019 17.53131 163.2605 35.15542 22.74136       39.28423 
1 1 1 -27 27 2  o 56.31945 23.98909 33.01096       139.1507 -61.19902      155.3221 416.0786       313.2006 51.03549 23.30701 103.1798 38.52958 -52.14426      45.03049 
1 1 1 -27 27 3  o 87.08608 25.31434 261.8692       136.9760 199.9180       152.6636 517.6830       310.2219 77.70170 27.18035 112.6646 38.78209 -34.96292      47.35844 
1 1 1 -27 27 4  o 279.8533 15.31985 2422.928       250.4816 2422.928       250.4816 0.000000       0.000000 279.8533 15.31985 ?        ?        0.000000       15.31985 
1 1 1 -27 27 5  o 57.64025 23.48366 65.29148       124.9645 158.3899       140.7693 -280.8708      271.4418 71.26260 25.96637 56.83316 27.38724 14.42945       37.74008 
1 1 1 -27 27 6  o 112.6465 22.30264 424.9401       142.1260 414.3526       165.4585 454.7399       277.5871 108.7148 26.25030 106.8022 36.68844 1.912544       45.11230 
1 1 1 -27 27 7  o 150.0602 17.03645 712.1348       147.2818 879.7591       175.8316 317.9716       269.6289 166.0096 18.36663 93.12296 35.53075 72.88659       39.99709 
1 1 1 -27 27 8  o 115.1297 21.18132 439.6383       137.7496 509.4754       161.4083 252.4082       264.2837 122.7426 23.27373 86.86798 34.58259 35.87458       41.68479 
1 1 1 -27 27 9  o 104.6199 21.52355 366.5417       127.6535 375.8944       145.5700 335.4082       265.5944 104.3276 24.25304 94.24810 35.42139 10.07945       42.92883 
1 1 1 -27 27 10 o 155.2364 31.26583 890.9801       274.7975 0.000000       0.000000 890.9801       274.7975 ?        ?        155.2364 31.26583 0.000000       31.26583 
1 1 1 -27 27 11 o 125.0224 18.20142 503.9205       129.5422 407.5795       150.2739 782.6138       255.5885 108.5451 24.22128 145.2900 30.94414 -36.74487      39.29644 
1 1 1 -27 27 12 o 111.6158 20.92706 415.4668       131.9571 375.8570       152.0761 536.1626       265.4641 103.2514 25.31250 114.5846 35.68594 -11.33315      43.75167 
1 1 1 -27 27 13 o 97.75214 23.80646 332.6985       135.1930 215.5321       156.6763 674.2235       267.4934 78.71655 27.53526 129.9665 34.51620 -51.24996      44.15381 
1 1 1 -27 27 14 o 133.0368 18.92929 577.1909       143.5294 741.3489       168.5780 144.6203       273.6518 150.5099 19.56012 77.38468 33.31446 73.12527       38.63226 
1 1 1 -27 27 15 o 114.6644 34.68655 540.4283       253.0910 0.000000       0.000000 540.4283       253.0910 ?        ?        114.6644 34.68655 0.000000       34.68655 
1 1 1 -27 27 16 o 143.1980 14.84360 645.1804       122.8541 0.000000       0.000000 645.1804       122.8541 ?        ?        143.1980 14.84360 0.000000       14.84360 
1 1 1 -27 27 17 o 68.29020 25.19934 151.7500       133.2338 0.000000       0.000000 151.7500       133.2338 ?        ?        68.29020 25.19934 0.000000       25.19934 
1 1 1 -27 27 18 o 159.8194 13.96642 798.9511       129.5937 0.000000       0.000000 798.9511       129.5937 ?        ?        159.8194 13.96642 0.000000       13.96642 
1 1 1 -27 27 19 o 82.93536 24.47195 248.8700       127.1844 0.000000       0.000000 248.8700       127.1844 ?        ?        82.93536 24.47195 0.000000       24.47195 
1 1 1 -27 27 20 o 41.28656 19.43310 -93.03037      121.1130 0.000000       0.000000 -93.03037      121.1130 ?        ?        41.28656 19.43310 0.000000       19.43310 
1 1 1 -27 27 21 o 45.10069 21.02707 -77.41129      136.2090 0.000000       0.000000 -77.41129      136.2090 ?        ?        45.10069 21.02707 0.000000       21.02707 
1 1 1 -27 27 22 o 41.87647 20.00979 -133.8125      138.1635 0.000000       0.000000 -133.8125      138.1635 ?        ?        41.87647 20.00979 0.000000       20.00979 
1 1 1 -27 27 23 o 92.86117 25.76279 325.5273       145.2262 0.000000       0.000000 325.5273       145.2262 ?        ?        92.86117 25.76279 0.000000       25.76279 
1 1 1 -27 27 24 o 47.22233 22.04112 -75.36752      150.3460 0.000000       0.000000 -75.36752      150.3460 ?        ?        47.22233 22.04112 0.000000       22.04112 
1 1 1 -27 27 25 o 125.9484 24.92682 583.1218       177.6038 0.000000       0.000000 583.1218       177.6038 ?        ?        125.9484 24.92682 0.000000       24.92682 
1 1 1 -27 27 26 o 89.91389 30.21935 339.5044       188.2106 0.000000       0.000000 339.5044       188.2106 ?        ?        89.91389 30.21935 0.000000       30.21935 
1 1 1 -27 28 1  o 66.16325 24.84415 127.8983       130.5955 155.1002       141.7014 -25.51439      336.5156 70.67614 26.00371 74.06255 34.00347 -3.386406      42.80688 
1 1 1 -27 28 2  o 214.9779 13.54290 1418.724       169.8805 1544.005       195.1347 1026.508       345.2672 223.1887 14.99475 160.5485 37.37140 62.64015       40.26740 
1 1 1 -27 28 3  o 218.8943 13.04290 1466.368       166.6807 1439.143       194.2868 1542.272       324.4084 215.0039 15.51229 211.1870 26.79466 3.816971       30.96103 
1 1 1 -27 28 4  o 102.5225 22.73068 356.6256       133.0855 352.0875       149.6982 373.7351       290.6700 100.2730 25.42405 98.01614 37.00824 2.256889       44.89980 
1 1 1 -27 28 5  o 127.8546 19.76120 533.0786       143.4037 563.8456       157.5754 384.7437       345.9937 130.5258 21.31986 98.88263 39.50154 31.64320       44.88773 
1 1 1 -27 28 6  o 57.76109 23.63373 66.13004       127.2301 105.6785       137.0089 -181.6274      342.9235 63.68119 25.04167 67.66869 32.10364 -3.987507      40.71522 
1 1 1 -27 28 7  o 130.3331 18.05754 545.7756       134.3233 573.2739       154.3483 459.9467       272.6880 131.9623 20.61758 106.3644 36.36858 25.59786       41.80620 
1 1 1 -27 28 8  o 91.95525 22.61443 289.4158       121.0971 371.0369       137.0334 -1.550295      258.7299 104.1459 23.04596 67.64616 30.57126 36.49974       38.28470 
1 1 1 -27 28 9  o 176.5977 13.92009 965.1031       143.0060 1064.708       170.1973 725.9175       263.7419 184.0816 15.92128 137.0751 33.16959 47.00650       36.79279 
1 1 1 -27 28 10 o 53.36417 22.45790 39.92823       119.5290 8.612761       135.0428 153.2149       256.8511 52.64722 23.02616 77.34295 32.75379 -24.69572      40.03766 
1 1 1 -27 28 11 o 142.4272 33.73824 795.0464       277.4546 0.000000       0.000000 795.0464       277.4546 ?        ?        142.4272 33.73824 0.000000       33.73824 
1 1 1 -27 28 12 f 94.09858 35.48885 353.3020       267.1212 0.000000       0.000000 353.3020       267.1212 ?        ?        94.09858 35.48885 0.000000       35.48885 
1 1 1 -27 28 13 o 130.3621 17.03764 545.9840       127.1458 0.000000       0.000000 545.9840       127.1458 ?        ?        130.3621 17.03764 0.000000       17.03764 
1 1 1 -27 28 14 f 67.30550 24.57692 146.1263       126.2050 0.000000       0.000000 146.1263       126.2050 ?        ?        67.30550 24.57692 0.000000       24.57692 
1 1 1 -27 28 15 o 65.45142 25.31776 127.9847       138.2048 0.000000       0.000000 127.9847       138.2048 ?        ?        65.45142 25.31776 0.000000       25.31776 
1 1 1 -27 28 16 o 52.10269 23.21389 -5.173729      143.4426 0.000000       0.000000 -5.173729      143.4426 ?        ?        52.10269 23.21389 0.000000       23.21389 
1 1 1 -27 28 17 o 79.89068 25.97880 233.0612       139.4468 0.000000       0.000000 233.0612       139.4468 ?        ?        79.89068 25.97880 0.000000       25.97880 
1 1 1 -27 28 18 o 124.0505 21.04173 524.5052       147.6194 0.000000       0.000000 524.5052       147.6194 ?        ?        124.0505 21.04173 0.000000       21.04173 
1 1 1 -27 28 19 f 79.72938 26.32105 235.1517       142.9099 0.000000       0.000000 235.1517       142.9099 ?        ?        79.72938 26.32105 0.000000       26.32105 
1 1 1 -27 28 20 o 120.6849 20.71430 497.6711       141.3352 0.000000       0.000000 497.6711       141.3352 ?        ?        120.6849 20.71430 0.000000       20.71430 
1 1 1 -27 28 21 o 75.58739 25.74892 210.3451       136.6649 0.000000       0.000000 210.3451       136.6649 ?        ?        75.58739 25.74892 0.000000       25.74892 
1 1 1 -27 28 22 o 117.0610 22.74533 486.3713       150.5267 0.000000       0.000000 486.3713       150.5267 ?        ?        117.0610 22.74533 0.000000       22.74533 
1 1 1 -27 28 23 o 96.86195 26.73927 361.6177       156.8762 0.000000       0.000000 361.6177       156.8762 ?        ?        96.86195 26.73927 0.000000       26.73927 
1 1 1 -27 28 24 o 82.08801 27.75694 264.6199       158.7843 0.000000       0.000000 264.6199       158.7843 ?        ?        82.08801 27.75694 0.000000       27.75694 
1 1 1 -27 28 25 o 47.82862 22.63816 -106.6880      168.6164 0.000000       0.000000 -106.6880      168.6164 ?        ?        47.82862 22.63816 0.000000       22.63816 
1 1 1 -27 29 1  o 85.27548 23.99850 252.3959       125.0571 272.2174       134.8988 131.2295       333.5271 88.09077 24.97137 81.15586 35.81639 6.934914       43.66215 
1 1 1 -27 29 2  o 170.2366 14.80696 902.3633       146.3631 893.2875       162.0219 942.6252       341.2555 168.1024 16.65286 150.7417 38.47599 17.36066       41.92516 
1 1 1 -27 29 3  o 186.3900 14.65209 1079.764       158.8801 1089.892       180.3973 1044.744       335.4506 185.6912 16.74458 162.0626 36.20735 23.62856       39.89177 
1 1 1 -27 29 4  o 129.9252 19.12645 549.3617       141.3835 642.1979       162.5026 260.2081       286.7911 139.6997 20.43887 87.29625 35.57217 52.40347       41.02592 
1 1 1 -27 29 5  o 78.09988 26.00445 211.3956       139.4132 243.0687       152.4741 49.91928       344.2749 82.76239 27.18111 77.12737 35.01889 5.635017       44.32985 
1 1 1 -27 29 6  o 98.42962 24.58296 340.0063       141.4776 208.2911       164.3335 717.1964       278.0919 77.99413 28.10646 133.8381 35.02826 -55.84396      44.91049 
1 1 1 -27 29 7  o 167.3302 15.57701 879.7830       151.1096 983.6222       179.0262 622.5129       281.7933 175.3891 17.64406 122.2985 36.51184 53.09062       40.55154 
1 1 1 -27 29 8  o 162.7075 16.47020 839.6601       155.0032 875.8636       185.0011 754.3781       283.9408 163.6800 19.66544 136.6738 35.20776 27.00621       40.32761 
1 1 1 -27 29 9  o 60.86918 28.35003 -89.58290      246.6064 0.000000       0.000000 -89.58290      246.6064 ?        ?        60.86918 28.35003 0.000000       28.35003 
1 1 1 -27 29 10 o 129.7333 15.02565 530.5034       112.2121 0.000000       0.000000 530.5034       112.2121 ?        ?        129.7333 15.02565 0.000000       15.02565 
1 1 1 -27 29 11 o 53.00510 22.52806 36.05231       122.2524 0.000000       0.000000 36.05231       122.2524 ?        ?        53.00510 22.52806 0.000000       22.52806 
1 1 1 -27 29 12 o 64.55433 24.67685 125.0145       130.2167 0.000000       0.000000 125.0145       130.2167 ?        ?        64.55433 24.67685 0.000000       24.67685 
1 1 1 -27 29 13 o 72.86741 25.42221 183.6471       133.5008 0.000000       0.000000 183.6471       133.5008 ?        ?        72.86741 25.42221 0.000000       25.42221 
1 1 1 -27 29 14 o 66.56229 25.93472 134.2920       145.8323 0.000000       0.000000 134.2920       145.8323 ?        ?        66.56229 25.93472 0.000000       25.93472 
1 1 1 -27 29 15 o 142.3605 19.27762 672.0825       156.8189 0.000000       0.000000 672.0825       156.8189 ?        ?        142.3605 19.27762 0.000000       19.27762 
1 1 1 -27 29 16 o 82.90118 26.78802 255.9811       148.4060 0.000000       0.000000 255.9811       148.4060 ?        ?        82.90118 26.78802 0.000000       26.78802 
1 1 1 -27 29 17 o 82.20914 26.68796 252.2541       147.1979 0.000000       0.000000 252.2541       147.1979 ?        ?        82.20914 26.68796 0.000000       26.68796 
1 1 1 -27 29 18 o 108.4688 27.24336 445.3891       173.0497 0.000000       0.000000 445.3891       173.0497 ?        ?        108.4688 27.24336 0.000000       27.24336 
1 1 1 -27 29 19 o 100.5544 25.72236 377.4077       152.2863 0.000000       0.000000 377.4077       152.2863 ?        ?        100.5544 25.72236 0.000000       25.72236 
1 1 1 -27 29 20 o 44.81979 21.26272 -117.3146      150.3977 0.000000       0.000000 -117.3146      150.3977 ?        ?        44.81979 21.26272 0.000000       21.26272 
1 1 1 -27 29 21 o 70.93711 26.90511 177.7247       154.0356 0.000000       0.000000 177.7247       154.0356 ?        ?        70.93711 26.90511 0.000000       26.90511 
1 1 1 -27 29 22 o 97.93245 26.79665 370.0144       158.3438 0.000000       0.000000 370.0144       158.3438 ?        ?        97.93245 26.79665 0.000000       26.79665 
1 1 1 -27 29 23 o 68.04729 26.89453 155.8965       158.7497 0.000000       0.000000 155.8965       158.7497 ?        ?        68.04729 26.89453 0.000000       26.89453 
1 1 1 -27 30 1  o 190.1852 32.52362 1372.731       349.7383 0.000000       0.000000 1372.731       349.7383 ?        ?        190.1852 32.52362 0.000000       32.52362 
1 1 1 -27 30 2  o 60.36228 23.57228 96.85560       120.6939 76.13563       130.6573 217.3785       315.1186 58.91975 24.00973 84.37569 36.02462 -25.45595      43.29250 
1 1 1 -27 30 3  o 87.26311 25.01023 270.5836       134.5867 226.1905       149.7953 456.5045       306.5521 79.91115 26.95994 102.9158 38.17873 -23.00461      46.73813 
1 1 1 -27 30 4  o 387.1154 28.24513 5372.849       636.8481 0.000000       0.000000 5372.849       636.8481 ?        ?        387.1154 28.24513 0.000000       28.24513 
1 1 1 -27 30 5  o 120.6524 36.40127 614.7068       278.9951 0.000000       0.000000 614.7068       278.9951 ?        ?        120.6524 36.40127 0.000000       36.40127 
1 1 1 -27 30 6  f 67.96092 23.39506 153.1514       112.8912 0.000000       0.000000 153.1514       112.8912 ?        ?        67.96092 23.39506 0.000000       23.39506 
1 1 1 -27 30 7  o 79.93201 25.17235 226.9340       131.7131 0.000000       0.000000 226.9340       131.7131 ?        ?        79.93201 25.17235 0.000000       25.17235 
1 1 1 -27 30 8  o 153.8866 16.78264 757.7615       149.0130 0.000000       0.000000 757.7615       149.0130 ?        ?        153.8866 16.78264 0.000000       16.78264 
1 1 1 -27 30 9  o 122.0933 21.63259 506.2342       149.2303 0.000000       0.000000 506.2342       149.2303 ?        ?        122.0933 21.63259 0.000000       21.63259 
1 1 1 -27 30 10 o 47.82617 21.80780 -43.05771      135.3102 0.000000       0.000000 -43.05771      135.3102 ?        ?        47.82617 21.80780 0.000000       21.80780 
1 1 1 -27 30 11 o 72.91007 25.90459 184.2817       139.0776 0.000000       0.000000 184.2817       139.0776 ?        ?        72.91007 25.90459 0.000000       25.90459 
1 1 1 -27 30 12 o 56.26425 23.75164 54.35876       134.3612 0.000000       0.000000 54.35876       134.3612 ?        ?        56.26425 23.75164 0.000000       23.75164 
1 1 1 -27 30 13 o 79.45395 25.85522 230.0772       138.1101 0.000000       0.000000 230.0772       138.1101 ?        ?        79.45395 25.85522 0.000000       25.85522 
1 1 1 -27 30 14 o 74.16541 26.81790 194.8332       149.7672 0.000000       0.000000 194.8332       149.7672 ?        ?        74.16541 26.81790 0.000000       26.81790 
1 1 1 -27 30 15 o 55.72746 24.67239 15.74576       159.4819 0.000000       0.000000 15.74576       159.4819 ?        ?        55.72746 24.67239 0.000000       24.67239 
1 1 1 -27 30 16 o 86.82984 27.69301 289.3372       158.9718 0.000000       0.000000 289.3372       158.9718 ?        ?        86.82984 27.69301 0.000000       27.69301 
1 1 1 -27 30 17 o 169.7921 17.26619 940.0109       169.5461 0.000000       0.000000 940.0109       169.5461 ?        ?        169.7921 17.26619 0.000000       17.26619 
1 1 1 -27 30 18 o 78.46159 28.48008 234.6398       169.1183 0.000000       0.000000 234.6398       169.1183 ?        ?        78.46159 28.48008 0.000000       28.48008 
1 1 1 -27 30 19 o 78.77334 27.14423 236.1336       151.9859 0.000000       0.000000 236.1336       151.9859 ?        ?        78.77334 27.14423 0.000000       27.14423 
1 1 1 -27 30 20 o 65.40356 26.89096 123.6181       165.7370 0.000000       0.000000 123.6181       165.7370 ?        ?        65.40356 26.89096 0.000000       26.89096 
1 1 1 -27 30 21 o 45.11493 21.68070 -159.9117      167.4008 0.000000       0.000000 -159.9117      167.4008 ?        ?        45.11493 21.68070 0.000000       21.68070 
1 1 1 -27 31 1  f 55.46125 23.52858 44.59249       132.9340 1030.838       461.5381 -44.62556      138.8166 137.8087 47.30896 48.46022 22.09369 89.34851       52.21369 
1 1 1 -27 31 2  o 63.37357 23.77323 121.7276       119.5168 0.000000       0.000000 121.7276       119.5168 ?        ?        63.37357 23.77323 0.000000       23.77323 
1 1 1 -27 31 3  o 92.80497 24.05780 305.5123       132.0131 56.33434       455.0642 328.4092       137.9451 81.57851 38.16500 96.03822 24.43559 -14.45971      45.31738 
1 1 1 -27 31 4  o 73.39857 25.63275 186.0520       135.7403 0.000000       0.000000 186.0520       135.7403 ?        ?        73.39857 25.63275 0.000000       25.63275 
1 1 1 -27 31 5  o 59.08686 23.88971 83.82070       128.1808 0.000000       0.000000 83.82070       128.1808 ?        ?        59.08686 23.88971 0.000000       23.88971 
1 1 1 -27 31 6  o 118.0140 21.54753 474.3935       143.6420 0.000000       0.000000 474.3935       143.6420 ?        ?        118.0140 21.54753 0.000000       21.54753 
1 1 1 -27 31 7  o 172.6262 15.37606 942.7212       154.0415 0.000000       0.000000 942.7212       154.0415 ?        ?        172.6262 15.37606 0.000000       15.37606 
1 1 1 -27 31 8  f 88.01857 35.13080 307.6797       273.4226 0.000000       0.000000 307.6797       273.4226 ?        ?        88.01857 35.13080 0.000000       35.13080 
1 1 1 -27 31 9  o 90.86039 25.19401 300.7296       138.9260 0.000000       0.000000 300.7296       138.9260 ?        ?        90.86039 25.19401 0.000000       25.19401 
1 1 1 -27 31 10 o 147.6773 17.63160 709.2139       149.6927 0.000000       0.000000 709.2139       149.6927 ?        ?        147.6773 17.63160 0.000000       17.63160 
1 1 1 -27 31 11 o 151.8458 18.13418 754.4933       158.3036 0.000000       0.000000 754.4933       158.3036 ?        ?        151.8458 18.13418 0.000000       18.13418 
1 1 1 -27 31 12 o 121.3231 23.34824 517.6641       160.1006 0.000000       0.000000 517.6641       160.1006 ?        ?        121.3231 23.34824 0.000000       23.34824 
1 1 1 -27 31 13 o 90.29460 26.71075 307.6716       151.3625 0.000000       0.000000 307.6716       151.3625 ?        ?        90.29460 26.71075 0.000000       26.71075 
1 1 1 -27 31 14 o 65.30699 27.45861 106.1103       178.4272 0.000000       0.000000 106.1103       178.4272 ?        ?        65.30699 27.45861 0.000000       27.45861 
1 1 1 -27 31 15 o 77.27875 28.13462 223.3991       165.2103 0.000000       0.000000 223.3991       165.2103 ?        ?        77.27875 28.13462 0.000000       28.13462 
1 1 1 -27 31 16 o 111.1262 26.96411 468.7899       173.9235 0.000000       0.000000 468.7899       173.9235 ?        ?        111.1262 26.96411 0.000000       26.96411 
1 1 1 -27 31 17 o 76.74621 29.06078 221.4141       179.5325 0.000000       0.000000 221.4141       179.5325 ?        ?        76.74621 29.06078 0.000000       29.06078 
1 1 1 -27 31 18 o 96.61098 29.05754 374.8746       177.9795 0.000000       0.000000 374.8746       177.9795 ?        ?        96.61098 29.05754 0.000000       29.05754 
1 1 1 -27 31 19 o 48.71885 23.10659 -118.5569      177.3939 0.000000       0.000000 -118.5569      177.3939 ?        ?        48.71885 23.10659 0.000000       23.10659 
1 1 1 -27 32 1  o 80.25312 26.43600 233.6071       144.1880 -72.16563      408.3684 277.1562       154.1142 73.99490 35.08405 86.42699 27.23044 -12.43208      44.41157 
1 1 1 -27 32 2  o 78.14519 26.65592 219.7977       146.4705 31.85714       470.3246 239.9828       154.1355 80.60257 38.04773 80.95816 27.34768 -0.3555908     46.85643 
1 1 1 -27 32 3  o 79.67987 26.67529 230.6893       146.6665 0.000000       0.000000 230.6893       146.6665 ?        ?        79.67987 26.67529 0.000000       26.67529 
1 1 1 -27 32 4  o 103.5003 23.69408 379.0110       140.7134 -38.91730      469.8800 420.1832       147.4818 78.05766 37.18786 109.1194 23.72350 -31.06179      44.11056 
1 1 1 -27 32 5  o 121.5150 20.61575 498.4555       141.6740 922.8922       462.9023 454.5894       148.8152 126.0692 46.88729 114.1128 23.03112 11.95638       52.23841 
1 1 1 -27 32 6  o 65.90920 25.94009 128.8914       147.1267 0.000000       0.000000 128.8914       147.1267 ?        ?        65.90920 25.94009 0.000000       25.94009 
1 1 1 -27 32 7  o 119.0848 21.89052 487.8830       147.2522 0.000000       0.000000 487.8830       147.2522 ?        ?        119.0848 21.89052 0.000000       21.89052 
1 1 1 -27 32 8  o 46.47137 21.86728 -104.4858      153.1599 0.000000       0.000000 -104.4858      153.1599 ?        ?        46.47137 21.86728 0.000000       21.86728 
1 1 1 -27 32 9  o 120.1062 24.76540 518.5097       168.6486 0.000000       0.000000 518.5097       168.6486 ?        ?        120.1062 24.76540 0.000000       24.76540 
1 1 1 -27 32 10 o 84.17529 27.59957 269.2253       157.2318 0.000000       0.000000 269.2253       157.2318 ?        ?        84.17529 27.59957 0.000000       27.59957 
1 1 1 -27 32 11 o 65.18636 26.09447 125.0435       151.3038 0.000000       0.000000 125.0435       151.3038 ?        ?        65.18636 26.09447 0.000000       26.09447 
1 1 1 -27 32 12 o 116.0575 25.42644 494.5241       168.2696 0.000000       0.000000 494.5241       168.2696 ?        ?        116.0575 25.42644 0.000000       25.42644 
1 1 1 -27 32 13 o 58.89111 25.86603 41.20196       172.0234 0.000000       0.000000 41.20196       172.0234 ?        ?        58.89111 25.86603 0.000000       25.86603 
1 1 1 -27 32 14 o 102.4432 30.64393 430.3862       198.3476 0.000000       0.000000 430.3862       198.3476 ?        ?        102.4432 30.64393 0.000000       30.64393 
1 1 1 -27 32 15 o 93.22201 38.00615 420.4958       327.5810 0.000000       0.000000 420.4958       327.5810 ?        ?        93.22201 38.00615 0.000000       38.00615 
1 1 1 -27 32 16 o 71.24911 28.65992 170.8725       183.4470 0.000000       0.000000 170.8725       183.4470 ?        ?        71.24911 28.65992 0.000000       28.65992 
1 1 1 -27 32 17 o 87.68787 29.28857 312.4466       176.8250 0.000000       0.000000 312.4466       176.8250 ?        ?        87.68787 29.28857 0.000000       29.28857 
1 1 1 -27 33 1  o 166.0759 17.51893 895.4081       168.0656 0.000000       0.000000 895.4081       168.0656 ?        ?        166.0759 17.51893 0.000000       17.51893 
1 1 1 -27 33 2  o 53.66905 23.82987 5.242092       149.8433 -56.26805      363.6634 17.82053       164.4521 70.84119 33.44495 56.65642 25.07024 14.18477       41.79810 
1 1 1 -27 33 3  o 80.30181 26.43215 237.9019       144.1559 449.2871       396.8047 205.7611       154.7276 96.32945 40.74866 75.66009 27.27169 20.66936       49.03262 
1 1 1 -27 33 4  f 73.98931 28.20385 190.4267       169.7908 0.000000       0.000000 190.4267       169.7908 ?        ?        73.98931 28.20385 0.000000       28.20385 
1 1 1 -27 33 5  o 79.04258 26.86613 231.1476       148.7704 470.9572       435.5486 199.4736       158.2906 96.55543 41.79992 74.73107 27.48577 21.82436       50.02700 
1 1 1 -27 33 6  o 64.79552 25.85685 122.5889       148.0903 -0.7236661     432.4482 138.9708       157.6204 76.07355 36.07955 67.31824 26.73731 8.755318       44.90677 
1 1 1 -27 33 7  o 77.74679 29.00076 223.7813       177.3446 0.000000       0.000000 223.7813       177.3446 ?        ?        77.74679 29.00076 0.000000       29.00076 
1 1 1 -27 33 8  o 59.48177 25.90447 49.55830       169.3482 0.000000       0.000000 49.55830       169.3482 ?        ?        59.48177 25.90447 0.000000       25.90447 
1 1 1 -27 33 9  o 83.86211 27.65766 269.4635       157.8059 0.000000       0.000000 269.4635       157.8059 ?        ?        83.86211 27.65766 0.000000       27.65766 
1 1 1 -27 33 10 f 51.23635 23.78502 -66.38938      171.3697 0.000000       0.000000 -66.38938      171.3697 ?        ?        51.23635 23.78502 0.000000       23.78502 
1 1 1 -27 33 11 o 46.96402 22.11953 -101.6057      157.3605 0.000000       0.000000 -101.6057      157.3605 ?        ?        46.96402 22.11953 0.000000       22.11953 
1 1 1 -27 33 12 o 66.70810 27.15769 132.4012       166.9749 0.000000       0.000000 132.4012       166.9749 ?        ?        66.70810 27.15769 0.000000       27.15769 
1 1 1 -27 33 13 o 67.39759 28.36420 124.8295       190.6721 0.000000       0.000000 124.8295       190.6721 ?        ?        67.39759 28.36420 0.000000       28.36420 
1 1 1 -27 33 14 o 55.51383 25.28469 -14.11714      181.2443 0.000000       0.000000 -14.11714      181.2443 ?        ?        55.51383 25.28469 0.000000       25.28469 
1 1 1 -27 34 1  o 63.28248 25.60296 109.5721       147.3346 -394.9904      277.9652 306.7165       173.7501 51.66216 25.48731 88.64454 29.01013 -36.98238      38.61594 
1 1 1 -27 34 2  o 78.35722 26.13622 226.1248       140.8178 397.6639       279.2818 167.6473       163.0631 94.31953 36.11823 70.87380 27.47728 23.44573       45.38202 
1 1 1 -27 34 3  o 86.51965 26.37609 281.3067       145.9579 166.9341       302.8707 315.9037       166.5772 77.31018 34.12444 90.25247 28.29265 -12.94229      44.32777 
1 1 1 -27 34 4  o 136.6527 20.45162 632.9716       158.8747 648.5224       336.0436 628.4951       180.2976 113.1890 40.26144 132.9294 24.01036 -19.74039      46.87729 
1 1 1 -27 34 5  o 77.87248 28.25992 225.9102       166.5013 452.2226       378.6044 171.6456       185.3914 95.52639 40.07088 72.12882 28.88094 23.39757       49.39417 
1 1 1 -27 34 6  o 53.53825 24.01435 -3.499974      156.2762 157.3297       373.4776 -37.63616      172.0636 79.27641 36.18008 53.25300 24.39922 26.02341       43.63852 
1 1 1 -27 34 7  o 78.93291 27.94897 235.1332       161.7754 1257.781       393.2210 26.77453       177.4923 161.9700 41.28029 58.45208 25.94551 103.5179       48.75687 
1 1 1 -27 34 8  o 61.24996 26.61057 62.62161       177.8103 0.000000       0.000000 62.62161       177.8103 ?        ?        61.24996 26.61057 0.000000       26.61057 
1 1 1 -27 34 9  o 65.71300 27.39895 116.7196       175.4116 0.000000       0.000000 116.7196       175.4116 ?        ?        65.71300 27.39895 0.000000       27.39895 
1 1 1 -27 34 10 o 58.18259 25.49009 43.48765       166.1079 0.000000       0.000000 43.48765       166.1079 ?        ?        58.18259 25.49009 0.000000       25.49009 
1 1 1 -27 34 11 o 54.25063 25.05088 -43.80511      186.3730 0.000000       0.000000 -43.80511      186.3730 ?        ?        54.25063 25.05088 0.000000       25.05088 
1 1 1 -27 35 1  o 164.9129 15.93767 874.4781       152.2267 486.8571       282.3458 1033.328       180.7467 101.5844 36.80958 177.7272 17.57034 -76.14281      40.78801 
1 1 1 -27 35 2  o 74.99780 26.25705 206.3865       142.4868 238.7848       256.7309 191.9645       171.2896 80.00275 33.23477 73.49210 28.24949 6.510651       43.61862 
1 1 1 -27 35 3  o 62.36812 25.19827 108.9302       142.4932 34.44000       227.9380 156.7155       182.5635 63.80113 28.77688 70.08739 28.44753 -6.286259      40.46444 
1 1 1 -27 35 4  o 56.03843 24.40815 38.72446       150.3917 367.0825       231.1364 -202.3518      198.0486 91.99604 33.30888 47.96325 23.18212 44.03279       40.58192 
1 1 1 -26 0  1  o 285.8054 27.74253 2501.932       454.2803 2501.932       454.2803 2501.932       454.2803 285.8054 27.74253 285.8054 27.74253 0.000000       0.000000 
1 1 1 -26 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  3  o 334.3408 24.89819 3377.207       481.8434 3377.207       481.8434 3377.207       481.8434 334.3408 24.89819 334.3408 24.89819 -0.000000      0.000000 
1 1 1 -26 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  5  f 104.9636 46.25500 481.9331       298.5239 481.9331       298.5239 481.9331       298.5239 104.9636 46.25500 104.9636 46.25500 -0.000000      0.000000 
1 1 1 -26 0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  7  o 44.03838 30.85312 -298.2932      299.7552 -298.2932      299.7552 -298.2932      299.7552 44.03838 30.85312 44.03838 30.85312 0.000000       0.000000 
1 1 1 -26 0  8  o 82.12853 44.67986 295.9149       303.9730 295.9149       303.9730 295.9149       303.9730 82.12853 44.67986 82.12853 44.67986 -0.000000      0.000000 
1 1 1 -26 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  10 o 133.7071 44.06758 689.5352       306.8000 689.5352       306.8000 689.5352       306.8000 133.7071 44.06758 133.7071 44.06758 0.000000       0.000000 
1 1 1 -26 0  11 o 51.18855 34.36887 -101.8913      291.1239 -101.8913      291.1239 -101.8913      291.1239 51.18855 34.36887 51.18855 34.36887 -0.000000      0.000000 
1 1 1 -26 0  12 o 80.94610 42.46498 293.2466       265.9407 293.2466       265.9407 293.2466       265.9407 80.94610 42.46498 80.94610 42.46498 0.000000       0.000000 
1 1 1 -26 0  13 o 35.50833 25.51524 -424.5512      256.7391 -424.5512      256.7391 -424.5512      256.7391 35.50833 25.51524 35.50833 25.51524 0.000000       0.000000 
1 1 1 -26 0  14 o 43.67942 29.95217 -155.0643      246.1671 -155.0643      246.1671 -155.0643      246.1671 43.67942 29.95217 43.67942 29.95217 -0.000000      0.000000 
1 1 1 -26 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  16 o 366.1217 15.46254 3979.489       330.6643 3979.489       330.6643 3979.489       330.6643 366.1217 15.46254 366.1217 15.46254 0.000000       0.000000 
1 1 1 -26 0  17 o 444.5081 14.98103 5854.449       389.5393 5854.449       389.5393 5854.449       389.5393 444.5081 14.98103 444.5081 14.98103 -0.000000      0.000000 
1 1 1 -26 0  18 o 534.5543 15.70818 8470.844       491.4938 8470.844       491.4938 8470.844       491.4938 534.5543 15.70818 534.5543 15.70818 -0.000000      0.000000 
1 1 1 -26 0  19 o 283.6322 15.72271 2401.685       259.6865 2401.685       259.6865 2401.685       259.6865 283.6322 15.72271 283.6322 15.72271 0.000000       0.000000 
1 1 1 -26 0  20 o 213.1601 19.92640 1386.538       243.8169 1386.538       243.8169 1386.538       243.8169 213.1601 19.92640 213.1601 19.92640 0.000000       0.000000 
1 1 1 -26 0  21 o 223.6219 18.19020 1514.465       234.8130 1514.465       234.8130 1514.465       234.8130 223.6219 18.19020 223.6219 18.19020 0.000000       0.000000 
1 1 1 -26 0  22 o 35.82843 25.21218 -221.5713      206.9216 -221.5713      206.9216 -221.5713      206.9216 35.82843 25.21218 35.82843 25.21218 0.000000       0.000000 
1 1 1 -26 0  23 o 113.8424 36.03067 495.9644       211.5062 495.9644       211.5062 495.9644       211.5062 113.8424 36.03067 113.8424 36.03067 -0.000000      0.000000 
1 1 1 -26 0  24 o 456.8971 15.19577 6211.920       406.1632 6211.920       406.1632 6211.920       406.1632 456.8971 15.19577 456.8971 15.19577 -0.000000      0.000000 
1 1 1 -26 0  25 o 53.99759 32.84374 93.40616       194.5749 93.40616       194.5749 93.40616       194.5749 53.99759 32.84374 53.99759 32.84374 0.000000       0.000000 
1 1 1 -26 0  26 o 71.92106 37.40318 242.8880       205.0070 242.8880       205.0070 242.8880       205.0070 71.92106 37.40318 71.92106 37.40318 -0.000000      0.000000 
1 1 1 -26 0  27 o 168.6836 21.36411 898.8066       202.1330 898.8066       202.1330 898.8066       202.1330 168.6836 21.36411 168.6836 21.36411 0.000000       0.000000 
1 1 1 -26 0  28 o 42.25034 27.51431 2.490786       164.9999 2.490786       164.9999 2.490786       164.9999 42.25034 27.51431 42.25034 27.51431 0.000000       0.000000 
1 1 1 -26 0  29 o 199.8884 17.06487 1227.122       196.5645 1227.122       196.5645 1227.122       196.5645 199.8884 17.06487 199.8884 17.06487 0.000000       0.000000 
1 1 1 -26 0  30 f 134.5475 26.63983 618.7377       186.8367 618.7377       186.8367 618.7377       186.8367 134.5475 26.63983 134.5475 26.63983 0.000000       0.000000 
1 1 1 -26 0  31 o 224.8238 16.59154 1548.656       215.9661 1548.656       215.9661 1548.656       215.9661 224.8238 16.59154 224.8238 16.59154 -0.000000      0.000000 
1 1 1 -26 0  32 o 65.12656 34.16990 209.4219       172.2062 209.4219       172.2062 209.4219       172.2062 65.12656 34.16990 65.12656 34.16990 0.000000       0.000000 
1 1 1 -26 0  33 o 207.3704 16.67057 1328.830       199.6360 1328.830       199.6360 1328.830       199.6360 207.3704 16.67057 207.3704 16.67057 -0.000000      0.000000 
1 1 1 -26 0  34 o 107.4647 32.55001 457.3266       178.9526 457.3266       178.9526 457.3266       178.9526 107.4647 32.55001 107.4647 32.55001 0.000000       0.000000 
1 1 1 -26 0  35 o 73.66331 36.36956 278.5013       188.2803 278.5013       188.2803 278.5013       188.2803 73.66331 36.36956 73.66331 36.36956 -0.000000      0.000000 
1 1 1 -26 0  36 o 49.85107 31.10786 88.70332       185.4179 88.70332       185.4179 88.70332       185.4179 49.85107 31.10786 49.85107 31.10786 0.000000       0.000000 
1 1 1 -26 0  37 o 33.79458 23.76253 -158.3752      182.7122 -158.3752      182.7122 -158.3752      182.7122 33.79458 23.76253 33.79458 23.76253 0.000000       0.000000 
1 1 1 -26 0  38 o 200.6122 17.90523 1272.903       206.6211 1272.903       206.6211 1272.903       206.6211 200.6122 17.90523 200.6122 17.90523 0.000000       0.000000 
1 1 1 -26 0  39 o 42.37523 28.25380 -4.987062      190.7416 -4.987062      190.7416 -4.987062      190.7416 42.37523 28.25380 42.37523 28.25380 0.000000       0.000000 
1 1 1 -26 0  40 o 64.18118 35.62825 230.0915       197.5652 230.0915       197.5652 230.0915       197.5652 64.18118 35.62825 64.18118 35.62825 -0.000000      0.000000 
1 1 1 -26 0  41 o 85.67200 38.53207 386.2771       207.1301 386.2771       207.1301 386.2771       207.1301 85.67200 38.53207 85.67200 38.53207 -0.000000      0.000000 
1 1 1 -26 1  1  o 318.0110 18.02401 3018.111       334.7823 2784.144       456.9588 3289.198       491.8743 302.5462 26.00549 329.1509 25.68373 -26.60474      36.55051 
1 1 1 -26 1  2  o 581.2029 16.72561 10038.94       569.5190 10249.26       812.4762 9835.763       798.5475 583.3193 23.79944 571.3596 23.88358 11.95972       33.71704 
1 1 1 -26 1  3  o 449.1499 16.08727 5992.724       423.0796 6299.105       616.2993 5719.650       581.8367 457.4421 23.04658 435.9460 22.83679 21.49612       32.44478 
1 1 1 -26 1  4  o 639.1091 17.59328 12156.00       658.8082 11767.89       902.0211 12599.74       964.5054 624.4005 24.68080 645.4839 25.52855 -21.08337      35.50843 
1 1 1 -26 1  5  o 674.2859 18.03350 13540.92       712.4996 13133.02       984.1472 13990.22       1032.871 658.9879 25.51252 679.8242 25.95358 -20.83630      36.39336 
1 1 1 -26 1  6  o 92.55920 32.22581 241.2871       214.4585 277.7470       303.9647 205.1490       302.6201 103.0494 38.05569 96.50461 37.42720 6.544777       53.37632 
1 1 1 -26 1  7  o 53.55193 25.39018 -245.6620      213.8357 -324.6652      299.0087 -162.9597      305.9288 63.68145 30.14297 72.09877 32.84301 -8.417316      44.57872 
1 1 1 -26 1  8  o 99.97723 32.42499 301.5811       217.3151 174.0487       301.4974 439.4825       313.5146 93.76079 37.06174 119.3041 38.96405 -25.54327      53.77518 
1 1 1 -26 1  9  o 292.8716 15.56309 2550.834       266.3555 2584.655       430.7794 2529.902       338.9032 291.4620 25.45650 290.3433 20.02542 1.118652       32.38905 
1 1 1 -26 1  10 o 326.5547 13.44334 3159.331       256.9118 3365.357       355.6038 2934.379       371.5789 335.6674 18.13099 312.6129 20.37827 23.05453       27.27649 
1 1 1 -26 1  11 o 403.1779 12.24011 4805.857       289.0874 4966.218       410.9494 4648.760       406.7457 408.2441 17.20253 394.8062 17.61095 13.43790       24.61855 
1 1 1 -26 1  12 o 236.3380 15.72470 1665.187       216.7151 1604.430       301.0755 1730.512       312.1893 229.9653 22.61580 238.9303 22.54560 -8.965012      31.93397 
1 1 1 -26 1  13 o 222.6134 15.44772 1477.920       200.4305 1468.303       284.0252 1487.461       282.8814 219.9070 22.33191 221.4352 22.07633 -1.528122      31.40189 
1 1 1 -26 1  14 o 127.8405 24.47885 509.7987       176.8498 541.5442       248.9960 477.4822       251.2258 129.7617 32.72827 121.9231 33.90689 7.838562       47.12555 
1 1 1 -26 1  15 o 156.2643 19.20364 741.2630       172.2959 664.3168       237.4267 826.8604       250.4185 144.8125 28.96832 162.6037 27.22078 -17.79112      39.75090 
1 1 1 -26 1  16 o 315.2003 11.33533 2939.401       209.2010 3060.050       294.2138 2816.022       297.5237 320.3192 15.70927 306.9530 16.58883 13.36621       22.84667 
1 1 1 -26 1  17 o 543.6238 11.16898 8734.178       356.0923 8737.349       503.1404 8730.995       504.0419 541.3556 15.86444 541.1390 15.89932 0.2165527      22.46038 
1 1 1 -26 1  18 o 857.9351 21.83281 22297.53       1097.644 23938.10       1635.418 20952.70       1480.695 873.1237 31.99171 818.6295 30.89640 54.49420       44.47535 
1 1 1 -26 1  19 o 89.30100 27.22697 249.2932       155.5213 320.6678       216.2857 172.8819       223.7867 100.9898 32.31154 84.65665 32.35273 16.33313       45.72456 
1 1 1 -26 1  20 o 208.8883 14.11242 1304.830       171.8737 1167.313       239.4337 1451.022       246.8690 195.1079 21.26867 218.4814 19.47022 -23.37343      28.83480 
1 1 1 -26 1  21 o 185.6919 14.70363 1035.039       158.8221 1112.011       227.1581 961.4294       222.1426 190.4437 20.66918 176.4470 21.93928 13.99667       30.14211 
1 1 1 -26 1  22 o 294.9267 11.04414 2580.834       190.6903 2735.451       267.8347 2421.889       271.5575 302.0983 15.16559 283.6925 16.39142 18.40576       22.33100 
1 1 1 -26 1  23 o 124.4709 20.85872 483.4907       146.8848 456.1970       201.7718 514.2623       214.2416 118.0000 29.29259 125.2374 29.63393 -7.237419      41.66805 
1 1 1 -26 1  24 o 227.6501 12.71991 1548.823       169.1500 1637.456       236.8114 1456.499       241.6915 232.1716 17.52105 218.1920 19.07915 13.97960       25.90369 
1 1 1 -26 1  25 o 190.4438 14.07497 1092.274       156.0935 1098.176       215.2133 1085.723       226.7363 188.6106 19.74837 186.9033 21.05059 1.707306       28.86391 
1 1 1 -26 1  26 o 73.77443 26.00138 159.6142       139.8857 256.2703       197.3764 62.06784       198.2833 89.95360 30.93560 69.35567 29.03950 20.59793       42.42999 
1 1 1 -26 1  27 o 111.5158 21.19764 398.8413       133.5694 486.1437       187.9393 309.7392       189.8666 120.4671 27.24186 95.87695 30.22661 24.59017       40.69112 
1 1 1 -26 1  28 o 97.77983 22.70250 314.5815       127.6825 392.1149       176.6316 229.7251       184.7849 107.0202 27.87069 84.59694 29.87827 22.42329       40.85935 
1 1 1 -26 1  29 f 165.1604 13.74366 832.5628       131.9195 956.7570       185.8977 706.5764       187.2343 174.4992 18.44353 147.4389 22.35334 27.06035       28.97992 
1 1 1 -26 1  30 o 201.3323 11.88845 1225.955       139.7500 1146.396       197.4074 1305.885       197.8662 191.0999 17.81917 204.9129 16.60682 -13.81306      24.35794 
1 1 1 -26 1  31 o 218.4640 11.59080 1443.302       147.9745 1319.960       202.5860 1584.373       216.6568 205.3748 16.97079 225.4898 16.49722 -20.11494      23.66783 
1 1 1 -26 1  32 o 66.51752 23.76797 137.0070       117.2412 194.9190       164.4411 77.13441       167.2015 77.14802 28.07174 64.13702 26.74659 13.01100       38.77374 
1 1 1 -26 1  33 o 97.60809 21.45819 321.6413       119.4835 310.6717       169.2312 332.5448       168.7204 92.15901 28.45841 95.35535 28.19893 -3.196342      40.06321 
1 1 1 -26 1  34 o 51.17736 21.72381 30.53383       113.4343 -72.27178      163.8863 125.0803       157.1654 50.87211 23.49090 67.16348 26.69129 -16.29137      35.55626 
1 1 1 -26 1  35 o 156.7819 14.55720 770.9427       132.3229 763.1555       197.2676 777.3126       178.4151 148.8573 23.36477 152.8685 20.40998 -4.011108      31.02386 
1 1 1 -26 1  36 o 47.88605 21.65918 -28.69957      130.1889 160.9633       195.3391 -180.2742      174.6269 72.35548 29.40469 46.03514 22.12829 26.32034       36.80077 
1 1 1 -26 1  37 o 140.2481 16.52150 635.9840       133.2885 633.1379       186.3889 638.9626       190.6813 132.6696 24.86856 132.7479 25.41767 -0.7827759E-01 35.55986 
1 1 1 -26 1  38 o 140.1938 16.49054 638.0392       132.9957 608.7799       183.0389 670.7628       193.5713 129.2930 25.04372 135.6342 25.26378 -6.341156      35.57311 
1 1 1 -26 1  39 o 96.21906 23.85804 339.8919       133.9627 488.0843       184.4631 174.5092       194.8685 111.5099 28.19441 71.76923 29.29318 39.74070       40.65729 
1 1 1 -26 1  40 o 143.9298 18.49739 695.6625       152.5336 497.4319       219.0747 882.1829       212.5054 106.7815 32.26495 156.0185 23.99160 -49.23693      40.20726 
1 1 1 -26 1  41 o 73.35070 26.77624 204.8920       149.7865 84.40747       209.7867 330.1880       213.9345 64.23285 28.37419 86.51891 31.93068 -22.28606      42.71608 
1 1 1 -26 2  1  o 96.63978 36.50794 225.6987       282.9503 379.5949       391.9614 58.23116       408.8788 117.7824 43.26308 96.73640 41.16013 21.04598       59.71475 
1 1 1 -26 2  2  o 521.7804 23.10343 8191.165       705.2395 8191.165       705.2395 0.000000       0.000000 521.7804 23.10343 ?        ?        0.000000       23.10343 
1 1 1 -26 2  3  o 729.1800 18.99388 15857.71       811.5757 15162.61       1103.081 16678.00       1198.306 707.2944 26.63997 740.9388 27.62460 -33.64441      38.37716 
1 1 1 -26 2  4  o 99.12234 33.79579 285.5526       235.4396 -78.19341      355.4054 570.0157       314.2953 83.04436 36.79562 133.1735 38.23568 -50.12910      53.06491 
1 1 1 -26 2  5  o 348.2231 16.68555 3609.189       339.7686 3490.976       457.1181 3755.123       507.8935 340.1845 23.04810 352.1324 24.75091 -11.94794      33.82045 
1 1 1 -26 2  6  o 552.4744 18.44176 9100.658       596.7000 8807.661       842.9891 9394.870       844.7360 538.6066 26.77091 556.8900 25.93555 -18.28345      37.27378 
1 1 1 -26 2  7  o 52.77089 25.08313 -252.6795      211.2995 -208.5551      294.8257 -299.2805      302.9866 68.24802 31.51192 65.31564 30.74128 2.932381       44.02303 
1 1 1 -26 2  8  o 127.4630 29.75180 514.6630       218.3372 552.9364       299.5852 471.3043       318.8669 131.1893 37.22166 122.7306 39.22907 8.458694       54.07747 
1 1 1 -26 2  9  f 285.9875 19.76050 2453.546       329.3951 2577.750       408.7343 2223.428       556.3499 291.5963 24.11604 264.9933 36.78924 26.60303       43.98899 
1 1 1 -26 2  10 o 252.9154 15.68053 1904.930       231.4437 2059.706       319.6672 1734.412       335.5304 261.4722 21.02302 238.7054 24.30599 22.76675       32.13640 
1 1 1 -26 2  11 o 146.9368 24.08927 666.4853       200.4021 772.3019       269.6846 536.0013       299.4730 156.3793 30.50117 129.1247 37.39986 27.25459       48.26045 
1 1 1 -26 2  12 f 262.7565 14.28542 2051.142       219.3111 1925.628       302.5740 2190.069       318.3310 252.7962 20.58654 269.8036 20.26592 -17.00739      28.88794 
1 1 1 -26 2  13 o 70.64713 28.81267 67.46479       188.3491 -14.34653      256.2456 163.6102       277.7884 73.73424 31.99041 90.20112 35.59964 -16.46688      47.86147 
1 1 1 -26 2  14 f 163.4236 19.57451 810.0491       183.8821 882.9551       264.8579 742.2081       255.4920 168.0716 27.84408 153.2361 29.49966 14.83545       40.56504 
1 1 1 -26 2  15 o 297.1242 11.93267 2613.976       207.5113 2832.683       299.1976 2411.261       288.0504 307.9512 16.62798 283.8056 17.38949 24.14557       24.06001 
1 1 1 -26 2  16 o 344.4135 11.13084 3507.855       224.5371 3571.898       315.3880 3442.031       319.7436 346.1642 15.57493 339.6116 16.09930 6.552551       22.40014 
1 1 1 -26 2  17 o 193.5612 15.59674 1122.476       175.5549 790.3044       239.6168 1507.388       257.9385 158.7438 26.68335 223.1114 19.92198 -64.36754      33.29995 
1 1 1 -26 2  18 f 337.0064 10.80569 3360.482       213.2943 3423.874       293.1736 3289.196       310.8931 338.8581 14.78780 331.6321 16.03218 7.226044       21.81077 
1 1 1 -26 2  19 o 185.3547 15.74103 1032.736       169.4977 1104.004       232.6963 952.1835       247.3898 189.8393 21.26535 174.7854 24.83176 15.05386       32.69299 
1 1 1 -26 2  20 o 238.3605 12.68750 1691.460       176.7231 1731.896       244.0864 1646.910       256.2021 239.6027 17.49054 233.0727 18.90524 6.529999       25.75513 
1 1 1 -26 2  21 o 248.9048 11.85227 1841.662       172.5186 1645.587       241.9400 2044.487       246.0686 233.2451 17.82156 260.7963 16.16759 -27.55118      24.06240 
1 1 1 -26 2  22 o 53.33710 23.46820 -26.78855      142.1853 122.5764       191.1368 -211.8553      212.7571 75.51948 29.61330 54.25882 25.60562 21.26065       39.14838 
1 1 1 -26 2  23 o 173.1857 15.46600 905.4621       155.4357 916.8839       216.6312 893.3423       223.1523 171.8442 21.99878 169.1226 23.10150 2.721527       31.90025 
1 1 1 -26 2  24 o 200.5989 14.12125 1209.221       165.0701 1267.902       223.1189 1138.264       245.3504 203.5274 18.90855 191.2019 22.29787 12.32549       29.23573 
1 1 1 -26 2  25 o 41.48071 19.87273 -180.0448      138.2256 -75.14625      185.6048 -310.6739      207.1213 57.06621 25.83145 48.47657 23.49644 8.589642       34.91914 
1 1 1 -26 2  26 o 78.04423 25.60104 190.3490       135.2789 135.4560       186.3867 251.4550       196.6522 75.08324 29.30121 89.27395 30.87120 -14.19070      42.56280 
1 1 1 -26 2  27 o 62.65800 23.95037 96.23824       122.6572 121.4495       175.3470 72.08179       171.6395 71.83075 28.30406 66.26587 27.31794 5.564880       39.33687 
1 1 1 -26 2  28 o 263.0954 10.66598 2071.272       164.2341 2165.115       233.4449 1979.307       231.0972 266.4209 15.00111 254.3206 15.56856 12.10028       21.61975 
1 1 1 -26 2  29 o 150.5390 14.87525 697.3632       129.6152 554.3731       189.1430 823.9639       177.9736 128.0352 26.07582 161.3618 19.18125 -33.32660      32.37081 
1 1 1 -26 2  30 o 243.6115 10.80013 1784.148       153.9205 1606.373       220.0305 1954.513       215.3964 227.3431 16.61730 252.4625 14.61000 -25.11942      22.12660 
1 1 1 -26 2  31 f 156.4659 14.19580 754.1132       128.8494 750.2526       186.3092 757.6526       178.3898 151.5302 21.57316 153.1086 20.37148 -1.578430      29.67151 
1 1 1 -26 2  32 o 138.3512 16.50655 603.6324       131.2948 565.4576       182.3095 644.7658       189.2424 128.2612 25.13534 137.8010 24.30412 -9.539780      34.96392 
1 1 1 -26 2  33 o 135.7434 16.52627 584.9222       128.8579 583.1409       183.3420 586.6609       181.1431 129.5623 25.03473 130.3029 24.60541 -0.7405701     35.10219 
1 1 1 -26 2  34 o 189.2061 13.74490 1109.251       151.4801 1068.916       203.7822 1159.062       226.4579 180.9472 19.51082 187.0110 21.01061 -6.063766      28.67260 
1 1 1 -26 2  35 o 113.3172 20.50222 431.5750       131.2389 365.8127       189.9253 491.6700       181.5571 97.18715 30.17134 115.7353 27.20959 -18.54815      40.62846 
1 1 1 -26 2  36 o 76.87193 25.52913 212.5688       134.3827 60.02053       202.1308 333.4043       179.8980 64.23214 28.13006 92.55074 29.45281 -28.31860      40.72798 
1 1 1 -26 2  37 o 72.50829 25.24487 187.0730       131.6079 172.8270       182.2952 202.5813       190.1996 72.20393 28.72924 75.61539 29.57311 -3.411469      41.23030 
1 1 1 -26 2  38 o 53.31604 22.88986 39.48423       128.5166 62.20462       169.6487 8.885987       196.8752 60.28545 26.09288 59.12221 26.69820 1.163242       37.33139 
1 1 1 -26 2  39 o 79.67861 25.32708 239.2841       133.0600 131.7328       177.6958 376.5644       200.7582 66.78378 27.68839 94.24800 31.20003 -27.46423      41.71437 
1 1 1 -26 2  40 o 122.9678 22.21261 537.2322       154.2983 717.7529       229.7115 388.8233       208.2807 133.0850 30.13396 94.37018 31.79019 38.71486       43.80265 
1 1 1 -26 2  41 o 102.8340 25.81784 406.8721       155.4582 242.8393       222.0064 564.6862       217.7573 77.54077 31.40775 114.8115 31.42807 -37.27077      44.43164 
1 1 1 -26 3  1  f 177.1903 29.31428 978.3504       293.9855 902.3632       385.3389 1084.176       454.7449 166.4661 39.97465 181.4823 43.32631 -15.01619      58.95033 
1 1 1 -26 3  2  o 302.3280 17.86857 2728.002       315.4116 2987.994       426.2883 2413.484       468.8638 314.5861 23.27014 280.3130 28.93560 34.27313       37.13177 
1 1 1 -26 3  3  o 949.9644 18.91412 26893.40       1053.766 24629.79       1687.974 28338.94       1348.903 895.1009 32.20710 970.7471 23.69322 -75.64624      39.98333 
1 1 1 -26 3  4  o 461.9721 13.56318 6316.157       367.0771 5594.565       580.7911 6796.138       473.6819 431.0103 23.06034 478.0090 16.92333 -46.99872      28.60382 
1 1 1 -26 3  5  o 305.1686 17.84047 2779.798       317.9059 2739.030       430.9899 2828.448       470.8194 300.5257 24.67015 304.6062 26.62241 -4.080536      36.29558 
1 1 1 -26 3  6  o 164.2411 29.32194 844.1578       272.0756 786.2751       358.3803 922.9058       418.0124 155.3986 39.30305 167.4509 42.49959 -12.05232      57.88735 
1 1 1 -26 3  7  o 67.83244 29.63798 -31.65285      223.2420 110.2888       295.9836 -218.9463      339.9962 88.12248 36.05074 73.99586 34.04819 14.12663       49.58765 
1 1 1 -26 3  8  o 264.2458 15.19254 2076.251       234.4522 1919.265       309.0660 2289.034       359.8229 252.4036 21.07084 275.3076 22.48095 -22.90402      30.81190 
1 1 1 -26 3  9  o 256.3917 15.45769 1956.338       231.3541 1909.564       308.4486 2016.497       349.8088 251.7162 21.08762 257.9336 23.37813 -6.217407      31.48372 
1 1 1 -26 3  10 o 230.3747 16.36453 1584.028       219.6607 1699.101       294.5962 1439.945       329.6443 237.2018 21.40685 216.5070 26.51380 20.69478       34.07690 
1 1 1 -26 3  11 o 125.1689 27.70744 494.0482       198.0165 604.5555       264.1968 352.3963       299.1187 137.3228 33.17855 109.6679 38.06595 27.65482       50.49587 
1 1 1 -26 3  12 o 190.8010 18.04465 1094.280       199.5212 1273.732       270.2645 879.3265       295.7914 204.5368 22.92428 166.6783 31.41095 37.85846       38.88664 
1 1 1 -26 3  13 o 55.92945 25.50055 -107.6152      184.9640 -341.9540      247.8981 186.6798       277.8066 54.98280 26.41264 92.19096 35.83058 -37.20816      44.51357 
1 1 1 -26 3  14 o 298.4102 12.50371 2638.188       218.3432 3028.126       316.3986 2283.652       301.6938 318.3943 17.00580 275.8068 18.76310 42.58752       25.32294 
1 1 1 -26 3  15 o 216.2970 15.14362 1396.570       190.8878 1109.532       270.1280 1682.879       269.7845 189.7210 24.87619 236.1790 19.65512 -46.45805      31.70408 
1 1 1 -26 3  16 o 252.5216 13.14204 1894.397       193.9612 1853.082       268.9222 1939.192       280.0192 248.1393 18.61477 253.7511 18.95300 -5.611725      26.56550 
1 1 1 -26 3  17 o 311.2729 11.22567 2867.855       204.5937 3006.209       282.0884 2714.302       297.1794 317.4884 15.19389 301.0416 16.90009 16.44678       22.72592 
1 1 1 -26 3  18 f 231.5668 13.86222 1598.916       187.3989 1501.899       260.2957 1703.315       270.0157 222.3488 20.18054 237.1219 19.59097 -14.77309      28.12580 
1 1 1 -26 3  19 o 248.1992 12.75934 1832.874       185.1055 1759.520       253.8406 1916.180       270.5113 241.4277 18.05849 251.8476 18.44245 -10.41991      25.81149 
1 1 1 -26 3  20 o 324.2173 11.08037 3115.589       210.3790 3177.492       290.1411 3046.962       305.4940 325.8982 15.22224 318.6105 16.40427 7.287689       22.37893 
1 1 1 -26 3  21 o 144.1584 17.56421 633.3455       145.4356 474.5163       199.1561 814.8250       212.8836 120.9810 28.53485 161.7646 23.09404 -40.78355      36.70929 
1 1 1 -26 3  22 o 305.4709 10.65708 2766.537       190.6307 2641.754       260.5987 2910.168       279.5870 296.8962 15.01514 311.4986 15.35148 -14.60239      21.47376 
1 1 1 -26 3  23 o 109.1472 23.28851 379.3079       144.5296 224.6134       198.0762 555.4494       211.3615 87.42790 30.92904 130.6470 28.39748 -43.21907      41.98836 
1 1 1 -26 3  24 o 311.0210 11.89019 2881.473       216.4853 2754.513       316.5610 2993.013       296.7147 301.0666 18.01085 314.9597 16.11684 -13.89313      24.16906 
1 1 1 -26 3  25 o 130.1826 19.05530 526.6423       141.1777 689.7692       190.6187 328.4447       210.1125 147.7311 22.72840 99.90823 31.83430 47.82291       39.11525 
1 1 1 -26 3  26 o 90.02473 23.42954 263.5508       124.8781 293.2999       168.9044 227.6827       185.4635 94.17771 28.30283 85.69840 29.95962 8.479309       41.21442 
1 1 1 -26 3  27 o 266.2780 10.70832 2117.660       166.8863 2129.939       236.7176 2105.525       235.3144 264.5574 15.32224 263.0335 15.32043 1.523926       21.66764 
1 1 1 -26 3  28 o 172.8728 13.74427 909.2496       138.2011 929.6022       196.0681 889.1534       194.8294 171.5480 19.85423 167.5040 20.24264 4.044067       28.35410 
1 1 1 -26 3  29 o 154.7273 14.64606 735.5978       131.3221 684.5178       187.0584 785.2391       184.4049 144.7250 22.79155 156.5931 20.57674 -11.86812      30.70597 
1 1 1 -26 3  30 o 84.15684 23.81250 238.9230       122.7828 372.4034       174.4379 107.8542       172.8550 102.8491 28.11884 68.59173 27.73875 34.25740       39.49819 
1 1 1 -26 3  31 o 124.9921 18.22999 498.7376       129.7020 447.5743       179.3039 554.8924       187.8468 112.8456 27.37595 126.9395 26.10448 -14.09386      37.82706 
1 1 1 -26 3  32 o 237.0954 11.13466 1699.958       154.3958 1683.652       212.8960 1718.049       224.2430 232.5144 15.70444 234.2494 16.42675 -1.734985      22.72593 
1 1 1 -26 3  33 o 223.7432 11.50786 1522.222       150.4989 1535.912       213.9988 1508.825       211.6952 220.5165 16.67049 218.5847 16.63857 1.931885       23.55307 
1 1 1 -26 3  34 o 124.8520 17.66501 503.5266       125.7395 633.8310       186.3429 394.5996       170.3732 135.1101 24.41496 103.6444 27.55616 31.46571       36.81619 
1 1 1 -26 3  35 o 329.5004 10.91717 3299.462       210.6766 3145.948       272.1355 3529.085       332.8282 317.3012 14.66354 332.4158 17.12991 -15.11459      22.54891 
1 1 1 -26 3  36 o 139.1129 16.10105 620.3987       128.9403 741.1194       182.0867 498.9792       182.6128 147.3929 21.71439 115.6530 27.35462 31.73989       34.92549 
1 1 1 -26 3  37 o 52.01874 22.39347 31.48393       123.6358 58.96115       171.5594 1.794443       178.3320 60.52974 26.21894 56.83334 25.55952 3.696404       36.61586 
1 1 1 -26 3  38 o 57.02328 23.33575 78.43205       124.0681 -132.8859      166.6352 341.2964       185.8508 46.62735 22.19476 91.65730 30.00375 -45.02995      37.32067 
1 1 1 -26 3  39 o 103.2453 22.77612 383.1996       134.2045 332.3955       173.6779 458.4908       211.4303 90.59525 28.95120 103.5310 31.78058 -12.93571      42.99044 
1 1 1 -26 3  40 o 73.56448 26.71337 203.8749       148.8076 392.6514       211.9527 20.37321       208.9705 94.46736 32.06813 60.19429 27.31178 34.27307       42.12242 
1 1 1 -26 3  41 o 51.45341 23.09777 2.893339       144.8949 -16.64911      210.2016 20.58553       200.0034 57.68790 26.62600 58.97313 26.74250 -1.285229      37.73731 
1 1 1 -26 4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 4  2  o 328.8934 14.81890 3209.766       285.1049 3493.374       452.0446 3022.434       367.3910 340.4781 22.76905 317.6526 19.81960 22.82556       30.18686 
1 1 1 -26 4  3  o 554.2151 13.62307 9082.956       442.7963 8089.195       691.6203 9773.235       576.4203 518.6654 22.79249 573.2356 17.16505 -54.57019      28.53308 
1 1 1 -26 4  4  o 446.1032 13.34098 5888.274       348.6466 5237.492       525.5826 6399.680       465.9138 417.7003 21.52748 463.7476 17.16023 -46.04721      27.53009 
1 1 1 -26 4  5  o 423.6330 15.83675 5330.398       392.7726 5015.526       518.7142 5753.550       601.3254 408.6223 21.72296 436.8304 23.55896 -28.20810      32.04546 
1 1 1 -26 4  6  o 474.6940 13.74205 6670.752       382.1718 6893.625       610.9015 6527.444       489.8666 479.1623 21.79599 468.0327 17.87930 11.12958       28.19104 
1 1 1 -26 4  7  o 289.6608 16.45190 2499.015       278.3345 2575.590       412.3965 2434.952       377.2025 291.4458 24.34950 283.8858 22.84869 7.560028       33.39103 
1 1 1 -26 4  8  o 342.5624 13.06468 3473.678       261.9945 3550.920       350.9969 3376.497       393.7019 345.1149 17.39771 335.5886 20.09573 9.526337       26.58042 
1 1 1 -26 4  9  o 318.5687 13.33025 3006.367       248.5027 3163.251       333.2496 2809.859       372.9663 325.6086 17.51559 305.6927 20.92966 19.91589       27.29188 
1 1 1 -26 4  10 o 113.7638 29.92467 410.2202       202.2956 333.4655       267.5953 512.5896       309.0372 106.0810 36.03214 126.6941 38.32979 -20.61317      52.60692 
1 1 1 -26 4  11 o 158.6541 21.51716 767.7684       195.0549 695.3809       256.1083 867.7532       300.9946 148.1666 30.49026 165.3427 32.19847 -17.17603      44.34408 
1 1 1 -26 4  12 o 158.5596 21.00369 766.0029       190.5171 668.9717       248.5218 904.3001       296.6987 145.2721 30.15773 169.1730 31.04814 -23.90091      43.28366 
1 1 1 -26 4  13 o 219.0202 15.62658 1431.847       199.4050 1408.325       265.4164 1462.329       302.1422 215.6042 21.26699 218.8243 23.93303 -3.220108      32.01679 
1 1 1 -26 4  14 o 317.6486 12.35249 2988.443       229.6800 3137.755       318.6451 2826.976       331.3611 324.1422 16.81935 307.0449 18.48696 17.09729       24.99316 
1 1 1 -26 4  15 o 180.2254 17.49926 978.1195       182.6381 1096.233       253.4763 850.5887       263.3873 189.0606 23.35664 164.4744 28.32734 24.58623       36.71472 
1 1 1 -26 4  16 o 327.2415 11.31588 3168.563       216.8470 3090.522       298.8314 3255.363       315.1552 321.7870 15.88369 330.1136 16.32903 -8.326691      22.78001 
1 1 1 -26 4  17 o 465.8476 10.81910 6412.520       295.5870 6427.798       409.9274 6395.971       426.6183 464.5107 15.06731 463.0315 15.73293 1.479218       21.78415 
1 1 1 -26 4  18 o 218.7008 15.24838 1432.180       194.3550 1363.703       275.2650 1500.254       274.4558 210.7927 22.61952 221.7076 21.37229 -10.91486      31.11940 
1 1 1 -26 4  19 o 167.2998 16.72637 845.7263       161.9168 879.6133       217.6294 803.7119       242.3263 168.6880 22.56331 159.4604 26.86571 9.227692       35.08374 
1 1 1 -26 4  20 o 306.4926 11.15065 2785.329       200.0996 2815.149       271.2386 2749.720       296.3994 306.7199 15.12518 302.4299 16.77673 4.290009       22.58826 
1 1 1 -26 4  21 o 62.14560 25.11208 61.09838       141.5434 325.9279       181.6751 -347.9379      225.7840 100.5717 29.12993 50.56583 24.51455 50.00590       38.07251 
1 1 1 -26 4  22 o 260.5691 11.77802 2019.172       179.5236 1906.099       240.4841 2161.502       269.8082 251.5087 16.39290 267.4960 17.29101 -15.98729      23.82658 
1 1 1 -26 4  23 o 238.4551 12.33723 1695.654       171.9474 1625.301       233.1472 1779.556       254.6083 231.5899 17.29043 242.0316 18.06736 -10.44168      25.00777 
1 1 1 -26 4  24 o 239.1902 12.05456 1707.049       168.5556 1558.026       225.1861 1896.927       254.1872 226.5204 17.07629 249.8730 17.45515 -23.35257      24.41888 
1 1 1 -26 4  25 o 110.3413 21.71749 387.4880       135.5332 193.1904       180.9703 635.6696       204.5306 81.62730 29.48444 140.2036 25.82548 -58.57627      39.19550 
1 1 1 -26 4  26 o 40.24810 19.08372 -132.7956      120.8385 -21.94786      158.2754 -287.6972      187.1018 55.96670 24.68750 45.67255 22.18271 10.29415       33.18953 
1 1 1 -26 4  27 o 38.07347 18.19697 -141.6499      114.4092 -262.4644      157.8244 -7.849178      166.0901 41.12827 20.06448 58.08582 25.46707 -16.95755      32.42151 
1 1 1 -26 4  28 o 78.39076 24.54702 201.0020       125.4261 337.9258       184.4361 83.19796       171.0750 98.71362 29.55478 66.67549 27.35709 32.03812       40.27276 
1 1 1 -26 4  29 o 93.77502 23.31353 294.1848       127.6694 250.9661       179.8669 338.0680       181.2445 86.31486 29.53653 98.15691 29.27663 -11.84205      41.58759 
1 1 1 -26 4  30 o 159.9967 14.47933 788.2641       134.3965 749.1882       188.6265 828.5554       191.5376 151.5298 21.85637 160.1275 20.89349 -8.597748      30.23638 
1 1 1 -26 4  31 o 202.8206 12.18910 1249.357       144.3197 1020.461       202.6304 1485.009       205.5996 178.3480 19.70046 218.4030 16.16601 -40.05498      25.48427 
1 1 1 -26 4  32 o 58.69706 22.98247 85.37973       114.9791 91.09921       157.7376 78.89546       167.9529 64.35255 26.32107 64.25480 26.80201 0.9774780E-01  37.56523 
1 1 1 -26 4  33 o 186.7628 12.40667 1068.315       135.1223 1083.122       186.7499 1052.046       195.7513 184.2867 17.48818 180.5330 18.76163 3.753708       25.64830 
1 1 1 -26 4  34 o 70.04607 23.49286 165.1990       113.7530 207.8064       157.3055 118.4970       164.6906 77.28469 27.54038 66.98747 27.08086 10.29722       38.62441 
1 1 1 -26 4  35 o 66.11888 23.69310 142.3529       116.5908 118.2499       158.4320 170.8254       172.1952 65.95816 26.59815 72.69987 28.22212 -6.741707      38.78079 
1 1 1 -26 4  36 o 134.8584 17.21179 590.6149       133.0320 714.6015       180.4265 442.9150       196.9259 144.3619 22.00548 105.8684 30.22426 38.49352       37.38646 
1 1 1 -26 4  37 o 69.09023 25.12018 164.4353       131.6436 282.6799       179.6250 27.22955       193.4917 84.84071 29.49553 60.31152 26.91036 24.52919       39.92685 
1 1 1 -26 4  38 o 47.28979 21.53004 -32.13028      131.2421 -22.59506      179.2191 -43.15674      192.7246 54.92142 25.06414 55.28526 25.50920 -0.3638306     35.76213 
1 1 1 -26 4  39 o 146.7022 16.59969 703.3126       140.3130 748.7546       181.3531 635.5423       221.4704 146.3202 21.79776 124.8925 30.50336 21.42771       37.49129 
1 1 1 -26 4  40 o 55.92789 24.04932 54.72430       142.2912 -19.46860      185.1630 161.7272       222.3673 55.16090 25.28739 71.16189 30.31875 -16.00099      39.48011 
1 1 1 -26 4  41 o 57.41467 24.51173 69.56077       145.8706 40.37630       197.0351 104.9559       216.9899 59.95415 26.92265 66.00697 29.01905 -6.052818      39.58453 
1 1 1 -26 5  1  o 222.0088 23.87565 1497.933       305.9877 1511.955       388.2183 1474.935       497.1863 220.5495 30.85697 213.3286 41.23127 7.220932       51.49922 
1 1 1 -26 5  2  o 667.5702 14.90758 13199.52       583.6529 13928.62       1008.088 12831.89       715.8321 678.9598 25.36110 656.1306 18.62129 22.82916       31.46328 
1 1 1 -26 5  3  o 490.0070 13.31193 7102.684       382.2006 6429.985       588.3713 7593.759       502.7076 462.8449 21.73603 505.3040 16.98752 -42.45911      27.58679 
1 1 1 -26 5  4  o 312.9045 15.07621 2907.404       275.8511 2796.514       406.5770 3001.990       375.4985 304.3720 22.94549 316.3624 20.34612 -11.99033      30.66692 
1 1 1 -26 5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 5  6  o 349.9434 15.28751 3636.503       312.9940 4427.491       479.2885 3048.360       413.2891 383.9783 21.36761 318.0568 22.29764 65.92154       30.88300 
1 1 1 -26 5  7  o 226.7494 19.00174 1543.303       250.3694 1106.901       339.2939 2065.006       370.9747 187.5957 31.98537 260.6614 24.55639 -73.06569      40.32469 
1 1 1 -26 5  8  o 146.0470 27.95391 668.1244       230.7154 787.9577       314.2862 528.0758       339.7628 156.6188 35.08835 128.9183 40.40572 27.70050       53.51462 
1 1 1 -26 5  9  o 338.6543 12.79700 3394.327       253.7075 3465.224       346.8067 3312.701       372.1226 340.8536 17.40642 332.6570 19.15487 8.196594       25.88228 
1 1 1 -26 5  10 o 57.91491 26.18541 -92.80939      190.0745 -128.2369      246.5637 -40.91737      298.4073 65.15990 29.60503 77.83643 34.13095 -12.67654      45.18163 
1 1 1 -26 5  11 o 273.0428 13.54275 2211.627       216.1875 2208.555       291.9596 2215.357       321.6651 271.5261 18.44362 271.3240 20.36317 0.2021179      27.47409 
1 1 1 -26 5  12 o 132.4409 25.12908 547.1904       188.0477 520.8616       240.9221 588.2385       300.8212 127.4776 32.21599 134.6439 36.97203 -7.166382      49.03877 
1 1 1 -26 5  13 o 89.12558 29.63652 234.8576       181.0896 256.3299       233.9599 202.7687       286.0084 95.28539 33.62262 94.26871 36.43287 1.016678       49.57656 
1 1 1 -26 5  14 o 118.1632 26.96727 442.1072       182.7487 497.3977       241.4366 367.9327       279.6438 124.2522 32.69561 109.7641 36.83492 14.48813       49.25256 
1 1 1 -26 5  15 o 214.0782 14.65232 1367.168       182.8534 1552.586       247.1656 1142.998       271.7694 227.0189 18.73068 192.5986 24.62243 34.42026       30.93707 
1 1 1 -26 5  16 o 241.1248 13.39922 1729.242       188.7387 1845.929       253.3593 1583.745       282.9129 247.9340 17.53727 228.2354 21.38487 19.69855       27.65626 
1 1 1 -26 5  17 o 678.8589 18.30780 13828.36       728.2317 16271.25       1198.482 12398.49       916.9126 725.2204 28.23199 636.9750 24.59074 88.24542       37.43995 
1 1 1 -26 5  18 o 242.0064 12.98705 1743.150       183.6514 1749.352       242.8537 1734.865       280.6776 241.0755 17.29161 238.9503 20.21814 2.125198       26.60400 
1 1 1 -26 5  19 o 266.5438 11.92841 2109.984       185.9944 1974.726       242.7555 2302.252       289.4287 256.4621 16.22283 276.2828 17.95963 -19.82074      24.20183 
1 1 1 -26 5  20 o 231.9568 12.61365 1602.454       170.9469 1737.249       222.8389 1409.687       266.4845 240.4770 15.88941 214.3590 21.48663 26.11801       26.72355 
1 1 1 -26 5  21 o 151.2682 18.15312 698.5901       157.8324 551.4203       202.6243 925.6597       251.6874 130.9697 27.26729 171.3185 25.85402 -40.34872      37.57573 
1 1 1 -26 5  22 o 76.65141 27.02417 167.0718       151.1165 -0.1707354     197.5555 402.9406       234.6125 65.03568 28.15310 110.6427 33.38041 -45.60702      43.66748 
1 1 1 -26 5  23 o 119.3570 22.41196 450.2609       151.1241 288.6572       193.5764 702.4792       241.8327 95.13359 30.58122 146.8013 29.11741 -51.66766      42.22599 
1 1 1 -26 5  24 o 239.3130 11.53429 1706.846       161.4087 1719.441       220.3227 1692.255       237.1362 238.5144 15.84025 235.9621 17.25512 2.552292       23.42333 
1 1 1 -26 5  25 o 51.71948 22.62131 -14.15962      130.3475 -21.52929      168.9543 -3.323348      204.8732 58.08812 25.56953 65.11330 28.42233 -7.025173      38.23127 
1 1 1 -26 5  26 o 78.48376 24.47658 196.9404       124.8395 78.91973       164.8017 355.8507       191.2311 66.31271 26.98647 102.5135 29.94248 -36.20074      40.30908 
1 1 1 -26 5  27 o 35.71599 17.42427 -203.4461      119.0309 -280.5686      162.2951 -113.6697      175.1039 41.18690 20.14750 51.98590 24.10183 -10.79900      31.41369 
1 1 1 -26 5  28 o 54.98462 22.87246 39.99388       121.8292 232.2143       165.6476 -186.4936      179.8073 83.91251 28.35055 48.44590 23.05895 35.46661       36.54407 
1 1 1 -26 5  29 f 175.6811 13.04887 939.0477       133.4862 910.4677       183.6005 971.0953       194.4198 169.7814 18.75085 175.0630 19.25379 -5.281631      26.87569 
1 1 1 -26 5  30 o 93.51619 28.15889 307.3777       167.0715 -59.22601      482.2148 357.3877       178.1028 84.65105 39.49870 100.2933 28.77903 -15.64227      48.87105 
1 1 1 -26 5  31 o 145.6703 15.23867 660.0800       128.2633 699.6435       173.0079 611.7961       191.1258 146.6583 20.68852 133.8726 25.26929 12.78571       32.65811 
1 1 1 -26 5  32 o 269.1175 13.03246 2215.756       205.0811 2460.426       233.7577 1398.046       427.3417 282.5768 14.15022 182.9203 40.86634 99.65642       43.24680 
1 1 1 -26 5  33 o 255.7881 10.58289 1978.911       158.4149 1858.587       223.6049 2100.159       224.4625 243.4296 15.74686 259.7987 14.79295 -16.36919      21.60544 
1 1 1 -26 5  34 o 100.6124 20.75076 341.5505       118.3763 317.6810       167.6509 365.2829       167.1689 92.37272 28.28924 99.40752 27.66387 -7.034798      39.56730 
1 1 1 -26 5  35 o 244.8502 10.72092 1822.024       153.5780 1852.497       210.8043 1787.555       224.1983 243.0156 14.86198 237.2534 16.21012 5.762177       21.99197 
1 1 1 -26 5  36 o 64.95840 24.78952 131.8669       131.2650 198.4691       176.9231 50.31156       195.7793 75.21935 28.76143 62.67807 27.55962 12.54128       39.83406 
1 1 1 -26 5  37 o 140.6016 16.99470 644.0209       137.2974 721.8800       185.5491 549.8046       204.1113 143.6267 22.78796 118.2671 29.52154 25.35956       37.29359 
1 1 1 -26 5  38 o 46.72599 21.40571 -41.59381      132.3708 -58.27885      180.4417 -22.15162      194.7807 52.77846 24.46830 56.77794 25.99392 -3.999481      35.69848 
1 1 1 -26 5  39 o 131.7024 19.58963 590.4874       146.7111 675.9701       196.6011 483.0636       220.3929 134.5659 25.85080 105.2458 32.47247 29.32009       41.50573 
1 1 1 -26 5  40 o 54.97479 23.90370 42.89482       143.7187 -20.82529      187.3004 134.1266       224.1163 55.31010 25.38439 69.11029 29.95128 -13.80019      39.26126 
1 1 1 -26 5  41 o 44.07308 20.80129 -91.56741      140.4856 -32.85072      184.8687 -171.8187      216.1267 53.87575 24.90321 50.63411 24.40950 3.241638       34.87110 
1 1 1 -26 6  1  o 574.4321 14.24567 9764.468       479.9236 9766.061       775.8353 9763.480       610.8119 569.7549 23.26728 572.4839 18.21574 -2.729065      29.54961 
1 1 1 -26 6  2  o 583.2301 14.04760 10063.82       480.4991 9793.522       767.6085 10237.98       616.1447 570.6968 22.98121 586.3587 17.93824 -15.66193      29.15333 
1 1 1 -26 6  3  f 371.5080 14.03281 4089.148       305.1982 3425.106       444.5753 4681.033       419.7265 337.1578 22.61416 396.1977 18.11149 -59.03986      28.97285 
1 1 1 -26 6  4  o 859.0855 21.89115 22129.98       1102.050 0.000000       0.000000 22129.98       1102.050 ?        ?        859.0855 21.89115 0.000000       21.89115 
1 1 1 -26 6  5  o 489.7945 13.64067 7100.570       391.4506 6260.555       585.8890 7777.922       526.1124 456.5126 21.94755 511.0917 17.57827 -54.57913      28.11922 
1 1 1 -26 6  6  o 392.4637 13.41688 4559.840       308.3632 4228.151       444.6248 4867.234       428.0313 375.6224 20.25823 403.9371 18.11413 -28.31470      27.17568 
1 1 1 -26 6  7  o 276.4671 15.72124 2274.599       253.8558 2199.476       346.5968 2361.534       372.8521 269.9352 22.08640 279.4503 22.95211 -9.515106      31.85292 
1 1 1 -26 6  8  o 215.3637 18.97074 1393.651       237.1647 1829.502       333.1913 946.0405       337.6562 245.5444 23.42071 172.0534 34.66218 73.49103       41.83296 
1 1 1 -26 6  9  o 220.5981 17.77605 1457.870       228.0328 1404.912       306.9520 1523.094       340.6479 214.3751 24.87566 222.6851 26.60942 -8.309998      36.42609 
1 1 1 -26 6  10 o 43.03792 21.15688 -374.5906      185.9197 -324.1257      239.1720 -451.6489      295.5461 54.33268 26.05924 58.32989 28.22326 -3.997211      38.41401 
1 1 1 -26 6  11 o 78.25790 29.63912 141.6995       186.7713 153.0992       237.4059 123.1846       302.5548 85.07029 33.10608 89.53931 36.51769 -4.469017      49.29051 
1 1 1 -26 6  12 o 312.5645 12.78288 2894.410       233.8307 3203.958       317.6126 2528.075       345.5204 327.7610 16.57686 289.7382 20.46543 38.02277       26.33679 
1 1 1 -26 6  13 o 242.5190 14.43068 1750.661       204.3219 2137.797       277.5424 1292.587       301.9018 267.0876 17.82036 204.7959 25.70036 62.29179       31.27417 
1 1 1 -26 6  14 o 313.0652 11.96544 2902.085       219.2875 2957.984       297.6089 2835.689       324.3528 314.8214 16.17295 307.5644 18.06120 7.256989       24.24399 
1 1 1 -26 6  15 o 158.8375 19.09611 766.2544       174.3252 718.7966       221.7015 843.1219       282.1541 151.6514 25.85348 162.6989 30.69515 -11.04759      40.13222 
1 1 1 -26 6  16 o 200.0918 16.10016 1200.899       187.3403 1169.188       242.6926 1247.655       294.6923 195.7213 21.49646 200.6639 25.62474 -4.942596      33.44735 
1 1 1 -26 6  17 o 552.0104 16.80309 9118.561       543.3516 10105.66       889.2943 8530.558       686.3646 572.6646 26.55084 530.0038 22.13003 42.66083       34.56422 
1 1 1 -26 6  18 o 279.4789 11.85079 2318.179       193.8028 2161.606       251.3089 2547.929       304.4221 268.5209 16.03101 290.8267 17.93533 -22.30576      24.05555 
1 1 1 -26 6  19 o 192.3276 14.51157 1108.348       162.4766 1116.720       204.4453 1093.996       267.6813 191.8324 18.39731 187.2582 24.99787 4.574265       31.03795 
1 1 1 -26 6  20 o 191.6358 14.87138 1102.574       165.8320 889.7260       218.2767 1393.143       255.0338 169.4149 22.52648 213.3897 20.63577 -43.97473      30.54959 
1 1 1 -26 6  21 o 301.3009 11.33419 2695.094       199.9247 2710.310       270.6323 2676.814       296.6244 300.6030 15.40232 297.9912 17.04386 2.611786       22.97225 
1 1 1 -26 6  22 f 280.3149 11.36425 2334.934       186.4388 2411.998       254.0013 2244.916       274.5213 283.3911 15.33986 272.5119 17.26548 10.87912       23.09562 
1 1 1 -26 6  23 o 96.85088 25.20874 302.9592       144.5542 360.0243       188.3600 221.1940       225.4694 104.6948 29.44880 88.65713 32.76942 16.03763       44.05754 
1 1 1 -26 6  24 o 291.3127 10.78615 2523.407       183.9610 2584.470       250.0122 2451.316       271.6535 293.1544 14.58750 284.5806 16.34520 8.573792       21.90800 
1 1 1 -26 6  25 o 155.5499 15.29834 736.1708       137.7573 719.1518       184.6445 757.5361       206.8830 151.1798 21.42484 154.1415 23.63818 -2.961761      31.90278 
1 1 1 -26 6  26 o 115.3539 20.26213 422.7142       132.0787 407.3497       168.9877 446.8349       211.7341 110.5684 26.42136 113.9052 30.91255 -3.336784      40.66540 
1 1 1 -26 6  27 o 178.4392 13.60230 966.3737       141.2758 1022.907       188.0867 893.1891       214.0009 181.4236 17.91061 166.8057 22.44434 14.61794       28.71478 
1 1 1 -26 6  28 o 243.0666 11.11210 1774.180       157.9872 2019.749       224.6575 1533.917       222.2177 256.9596 14.97239 222.3654 17.17262 34.59416       22.78313 
1 1 1 -26 6  29 o 305.3335 10.11160 2791.151       180.8196 2921.611       257.0038 2663.270       254.4502 309.3342 14.20437 294.8484 14.76172 14.48581       20.48591 
1 1 1 -26 6  30 o 165.8515 13.82669 843.9668       133.2670 807.2151       179.6559 888.9314       198.7185 158.6517 19.73373 165.7396 20.90812 -7.087952      28.75012 
1 1 1 -26 6  31 o 225.2240 14.47250 1563.232       190.1534 1660.481       213.5258 1190.535       418.0077 231.0430 15.85431 167.4556 42.49858 63.58745       45.35954 
1 1 1 -26 6  32 o 199.5246 12.28585 1215.046       143.0675 1397.740       197.8685 1014.902       207.1033 211.1543 16.09951 176.3645 20.39840 34.78978       25.98632 
1 1 1 -26 6  33 o 244.4491 10.90449 1811.664       155.9373 1792.645       223.3471 1829.753       217.8142 238.6691 16.04967 241.7414 15.44408 -3.072327      22.27356 
1 1 1 -26 6  34 o 308.9509 10.06015 2882.842       182.0393 2904.961       259.7046 2861.477       255.2384 305.3499 14.54392 303.2350 14.39320 2.114868       20.46192 
1 1 1 -26 6  35 o 105.4859 20.36581 376.0460       121.4303 412.7614       164.7544 332.3817       179.6701 105.8858 26.57549 92.82732 29.42153 13.05850       39.64698 
1 1 1 -26 6  36 o 57.86006 23.41429 82.32970       123.2521 199.4727       166.6712 -59.03492      183.0934 74.98029 28.08502 53.64869 24.79298 21.33159       37.46279 
1 1 1 -26 6  37 o 198.6420 12.71987 1226.773       147.4063 1289.407       211.0495 1167.118       205.9713 197.7165 18.41246 187.3906 19.00419 10.32588       26.46087 
1 1 1 -26 6  38 o 75.01578 25.39432 207.4886       132.9054 217.2779       187.4758 197.5982       188.4412 76.30637 29.49528 74.22807 29.31297 2.078300       41.58391 
1 1 1 -26 6  39 o 69.88728 25.95283 175.5337       141.7221 212.3156       185.1747 123.5240       220.1944 74.97221 29.22071 68.36662 29.65823 6.605591       41.63485 
1 1 1 -26 6  40 o 38.66731 18.92367 -210.9193      143.6685 -44.77308      186.7005 -452.1450      224.9635 53.74525 24.90697 42.89830 21.45176 10.84696       32.87150 
1 1 1 -26 7  1  o 263.0368 17.52318 2065.855       268.7795 1445.316       372.1874 2742.205       388.5646 215.7505 30.24385 301.7138 22.11283 -85.96332      37.46556 
1 1 1 -26 7  2  o 764.3785 16.23176 17339.29       727.6533 15918.22       1141.044 18313.30       944.6634 724.4539 26.90272 782.4626 20.60350 -58.00873      33.88599 
1 1 1 -26 7  3  o 748.8176 20.00745 16756.43       877.8673 0.000000       0.000000 16756.43       877.8673 ?        ?        748.8176 20.00745 0.000000       20.00745 
1 1 1 -26 7  4  o 327.7009 14.75768 3187.029       282.8983 2588.872       398.5253 3794.603       401.6502 292.5700 23.42153 356.1704 19.30035 -63.60043      30.34916 
1 1 1 -26 7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 7  6  o 259.5454 16.22859 2007.465       245.7910 1966.802       331.4276 2057.162       366.3995 255.0674 22.38221 260.2230 24.28870 -5.155594      33.02884 
1 1 1 -26 7  7  o 83.59032 31.70807 161.9059       213.9552 166.5880       275.5901 154.8025       339.4505 90.47019 35.53394 95.90163 38.83964 -5.431442      52.64199 
1 1 1 -26 7  8  o 220.6489 17.06330 1456.080       219.0938 1385.708       294.2324 1543.661       328.2407 213.2117 23.94367 224.6712 25.35349 -11.45959      34.87260 
1 1 1 -26 7  9  o 499.9787 13.11305 7397.859       384.1763 7421.924       591.1824 7380.267       505.4500 497.6385 20.29876 497.6868 17.34346 -0.4833984E-01 26.69898 
1 1 1 -26 7  10 o 198.3620 17.35577 1180.020       199.8759 1172.466       256.8831 1191.611       318.1907 196.1829 22.74782 195.7712 28.55364 0.4116516      36.50717 
1 1 1 -26 7  11 o 72.26117 28.56443 96.23955       179.1009 -103.3516      227.8187 419.1935       289.7938 63.57413 28.71313 115.9277 37.43114 -52.35357      47.17557 
1 1 1 -26 7  12 o 141.7294 22.58652 619.1096       181.4453 775.0811       237.1802 399.0277       281.7395 157.6351 26.60092 113.3256 36.93185 44.30956       45.51451 
1 1 1 -26 7  13 o 71.05749 27.91536 97.59243       170.1162 93.78885       210.1327 104.8264       289.7918 75.97711 30.63432 86.41512 35.54706 -10.43800      46.92606 
1 1 1 -26 7  14 o 377.2768 11.43872 4210.220       252.8053 4582.755       358.9735 3843.655       356.0852 392.1760 15.63877 358.5935 16.97995 33.58249       23.08441 
1 1 1 -26 7  15 o 122.4674 25.25897 472.5548       175.3945 539.7943       223.3733 364.4398       283.2452 129.6947 29.96877 109.1448 37.07084 20.54989       47.66943 
1 1 1 -26 7  16 o 282.6675 16.00930 2390.421       264.3138 2489.278       311.8441 2138.228       498.0826 287.4877 18.59532 258.7615 33.61467 28.72623       38.41526 
1 1 1 -26 7  17 o 465.9303 14.76937 6471.580       403.0738 5908.779       489.8060 7652.310       709.4501 442.8839 18.90094 499.8850 24.27176 -57.00110      30.76303 
1 1 1 -26 7  18 o 338.4796 14.54477 3419.111       288.0548 5394.001       670.4192 2971.979       319.0015 416.3336 27.61313 314.3541 17.37060 101.9795       32.62242 
1 1 1 -26 7  19 o 148.0929 19.09893 671.5740       162.0216 566.7817       208.3354 831.9520       257.7333 132.9085 27.62999 161.4691 28.24447 -28.56055      39.51160 
1 1 1 -26 7  20 o 308.5650 12.25870 2831.226       221.3993 2905.060       315.7238 2759.791       310.5520 310.4024 17.41312 302.4370 17.58433 7.965363       24.74723 
1 1 1 -26 7  21 o 42.81288 20.43876 -180.1272      143.4631 -74.46159      180.5323 -361.2034      236.3300 56.70280 25.58952 51.70717 25.07086 4.995625       35.82417 
1 1 1 -26 7  22 o 205.5988 13.76650 1266.880       165.0382 1408.966       219.8556 1083.454       249.8001 215.4586 17.55085 186.2805 23.37876 29.17812       29.23352 
1 1 1 -26 7  23 o 130.9837 24.79492 549.2229       183.4987 517.3990       205.5467 674.1478       407.2479 125.5111 28.56790 136.8001 44.38945 -11.28896      52.78776 
1 1 1 -26 7  24 o 46.48728 21.34405 -82.64748      132.6096 -43.13190      168.2471 -147.4589      215.4711 56.35938 25.12374 57.53270 26.69505 -1.173328      36.65826 
1 1 1 -26 7  25 o 297.4103 10.50171 2633.589       182.8877 2655.139       251.3785 2609.355       266.5744 296.6122 14.49458 293.4149 15.54671 3.197235       21.25542 
1 1 1 -26 7  26 o 140.5266 16.73546 610.1965       135.2195 498.0155       173.8050 782.2172       215.2250 123.0527 24.93866 155.2697 24.44209 -32.21695      34.91922 
1 1 1 -26 7  27 o 86.88136 24.02924 250.6469       126.5559 231.6740       167.4573 275.9163       193.2564 84.16387 28.50466 90.60278 30.62214 -6.438904      41.83577 
1 1 1 -26 7  28 o 246.9158 10.99671 1830.807       158.8441 1948.161       220.4874 1704.177       229.0352 252.2280 14.97265 234.5997 16.75689 17.62822       22.47161 
1 1 1 -26 7  29 o 218.8088 11.37507 1443.691       145.4707 1541.758       206.7375 1347.519       204.7304 223.2671 15.89252 207.9373 16.93452 15.32980       23.22391 
1 1 1 -26 7  30 o 118.4830 26.28011 485.3147       177.8304 543.9763       198.8214 250.6803       397.6329 124.4507 27.92825 93.62380 40.22995 30.82687       48.97383 
1 1 1 -26 7  31 o 261.9803 10.51495 2067.110       161.2291 2188.916       227.8308 1944.916       228.1943 266.3475 14.64155 250.1579 15.63206 16.18956       21.41813 
1 1 1 -26 7  32 o 235.4543 11.04064 1679.397       152.0339 1743.450       211.4334 1610.821       218.7710 236.4584 15.32904 226.0864 16.61533 10.37206       22.60638 
1 1 1 -26 7  33 o 146.4489 15.73282 677.3453       133.0109 640.0630       189.2546 713.7361       186.9778 135.6808 24.69300 145.1128 22.71470 -9.431976      33.55148 
1 1 1 -26 7  34 o 88.46030 23.74000 276.5132       125.7208 322.6105       168.0555 217.9293       189.4539 92.74728 28.30785 78.88698 29.85716 13.86031       41.14346 
1 1 1 -26 7  35 o 127.1190 18.52391 531.7720       134.0418 637.9697       186.3619 417.9491       192.9365 134.2657 24.57214 103.2908 30.04903 30.97484       38.81667 
1 1 1 -26 7  36 o 55.60620 23.38071 56.82505       129.3729 237.8614       175.5819 -158.2007      191.3560 79.66582 29.00421 49.38303 23.58351 30.28279       37.38216 
1 1 1 -26 7  37 f 90.34864 25.04687 303.1410       137.3238 337.0771       190.0858 266.0951       198.6044 91.02135 30.36621 82.13547 30.67948 8.885887       43.16639 
1 1 1 -26 7  38 o 75.67148 25.37153 212.5834       132.6746 244.7352       182.3592 176.4256       193.3865 79.21226 29.43494 72.08350 29.27094 7.128754       41.51148 
1 1 1 -26 7  39 o 115.3249 21.94334 471.1164       142.9935 469.6415       195.0877 472.8288       210.2040 106.7095 29.95401 105.0104 31.57755 1.699036       43.52452 
1 1 1 -26 7  40 f 60.44545 24.85017 100.3173       141.5189 48.40725       193.7024 159.7486       207.2607 60.53568 26.97322 70.17912 29.55572 -9.643448      40.01368 
1 1 1 -26 8  1  o 533.5198 13.91721 8426.925       435.0932 9139.089       709.0262 7996.766       551.0446 551.7606 21.95477 517.9815 18.16749 33.77911       28.49684 
1 1 1 -26 8  2  o 310.1390 15.71432 2859.857       284.8951 2129.979       384.8686 3744.593       423.7349 264.5951 25.10186 353.3511 20.53585 -88.75601      32.43185 
1 1 1 -26 8  3  o 532.8315 18.07255 8461.350       563.9372 0.000000       0.000000 8461.350       563.9372 ?        ?        532.8315 18.07255 0.000000       18.07255 
1 1 1 -26 8  4  o 1044.288 25.61009 32964.68       1568.490 0.000000       0.000000 32964.68       1568.490 ?        ?        1044.288 25.61009 0.000000       25.61009 
1 1 1 -26 8  5  o 223.7678 18.04099 1500.140       234.7547 1560.987       316.4976 1425.724       350.0132 226.4173 24.21004 214.7563 28.49227 11.66100       37.38898 
1 1 1 -26 8  6  o 124.0647 30.32154 489.0199       218.7267 556.7068       290.8074 400.8507       331.9031 131.5151 36.44484 116.1327 40.10853 15.38239       54.19336 
1 1 1 -26 8  7  o 54.12290 25.32511 -186.8512      200.5305 62.80264       255.3685 -588.4102      323.8716 79.46656 33.09029 58.10252 28.43044 21.36404       43.62634 
1 1 1 -26 8  8  o 330.5545 13.48925 3238.309       260.9565 3439.767       366.1303 3030.298       372.0371 339.1512 18.47716 317.7033 20.06962 21.44785       27.27994 
1 1 1 -26 8  9  o 167.3742 20.30211 850.1113       195.2179 843.1091       251.0619 860.8187       310.4621 164.6521 26.92943 164.1463 33.38779 0.5057983      42.89451 
1 1 1 -26 8  10 o 322.9151 12.83154 3088.813       242.5225 2959.072       344.2664 3216.631       341.7053 314.2498 18.76513 328.0201 17.82939 -13.77029      25.88469 
1 1 1 -26 8  11 o 213.4023 14.99302 1358.157       186.4517 1253.838       238.3848 1522.530       299.2346 203.5907 20.23249 223.5330 23.16065 -19.94235      30.75336 
1 1 1 -26 8  12 o 279.6979 12.90506 2320.420       211.1192 2229.665       280.6418 2438.738       320.4351 272.8167 17.63453 284.7870 19.29934 -11.97031      26.14270 
1 1 1 -26 8  13 o 187.8360 16.77164 1059.633       182.8171 1147.147       239.0793 936.4118       283.6924 194.1289 21.35121 172.4432 29.08481 21.68562       36.08047 
1 1 1 -26 8  14 o 105.2287 27.39272 352.0043       170.6725 427.6204       212.1613 213.3285       287.3156 115.3932 30.78260 94.87331 36.55593 20.51986       47.79022 
1 1 1 -26 8  15 o 442.7701 12.72999 5814.107       330.2218 5750.309       406.9388 5937.125       565.0773 438.9875 15.83209 442.6555 21.83402 -3.667908      26.96997 
1 1 1 -26 8  16 o 299.1182 11.87952 2653.517       207.9830 2493.854       267.2358 2898.794       331.2236 288.6968 15.84420 310.3148 18.28085 -21.61798      24.19149 
1 1 1 -26 8  17 o 325.6198 18.12587 3193.467       344.7807 3722.261       623.5889 2960.643       413.7786 342.9620 31.34917 311.0855 22.83891 31.87643       38.78642 
1 1 1 -26 8  18 o 209.8992 14.68780 1319.566       179.6671 1038.992       233.4714 1727.015       281.3494 183.6187 22.12577 238.1167 20.34139 -54.49803      30.05532 
1 1 1 -26 8  19 o 279.5271 15.15460 2340.446       247.5094 2261.397       283.7967 2591.623       505.8823 273.6738 17.77789 285.2783 30.72007 -11.60446      35.49332 
1 1 1 -26 8  20 o 81.62852 26.69173 202.9172       147.1028 270.2927       183.3214 81.09103       246.5088 92.81973 29.75261 78.28154 32.54700 14.53819       44.09677 
1 1 1 -26 8  21 o 44.24168 20.84997 -143.2903      140.1967 -9.576362      174.6767 -385.3646      235.0288 60.60242 26.35169 50.57588 24.63163 10.02655       36.07116 
1 1 1 -26 8  22 o 98.24782 26.60063 312.8454       157.0044 307.1770       204.4701 320.9893       245.0829 97.79537 31.42927 100.7280 34.47761 -2.932640      46.65303 
1 1 1 -26 8  23 o 42.07587 20.26838 -210.1042      148.3426 -191.4064      191.3538 -238.2655      234.8372 51.24196 24.21260 56.18274 26.62880 -4.940777      35.99088 
1 1 1 -26 8  24 o 327.8289 10.69250 3197.133       205.3031 2885.802       280.0812 3558.669       301.8210 309.0091 15.50429 343.5326 15.01694 -34.52353      21.58452 
1 1 1 -26 8  25 o 49.01207 21.80767 -32.05379      126.1563 -60.30106      155.3126 22.72747       216.2891 52.35820 23.67185 68.15987 29.48162 -15.80168      37.80902 
1 1 1 -26 8  26 o 54.27262 22.76744 30.34697       122.2360 179.6543       158.1276 -191.3528      192.6859 77.11527 27.59745 50.72623 24.06544 26.38904       36.61646 
1 1 1 -26 8  27 o 79.28237 24.83475 206.3676       128.3724 302.9371       168.1183 71.32182       198.8087 94.02749 28.23217 68.82059 28.96307 25.20690       40.44645 
1 1 1 -26 8  28 o 231.3671 11.52561 1612.669       155.9001 1601.906       214.5773 1624.701       226.8897 227.6927 16.17412 228.6805 17.03994 -0.9877930     23.49386 
1 1 1 -26 8  29 o 214.8121 11.99994 1396.805       150.5770 1270.250       208.2038 1535.590       218.0321 201.0650 17.84142 221.9474 16.87672 -20.88239      24.55891 
1 1 1 -26 8  30 o 49.22320 21.65024 -7.917727      120.9086 -63.18420      161.3415 62.87822       182.6078 51.94061 23.73329 64.97364 27.57073 -13.03303      36.37876 
1 1 1 -26 8  31 o 90.79070 23.43945 282.7668       125.6605 306.8925       165.1199 249.5650       193.7048 92.46567 28.02673 84.58616 30.51069 7.879509       41.42945 
1 1 1 -26 8  32 o 165.2055 14.81015 851.6708       141.9734 738.1460       190.8299 992.4036       212.4705 147.9744 22.71370 173.0782 21.38623 -25.10374      31.19749 
1 1 1 -26 8  33 o 158.2805 14.67415 783.7256       134.6660 878.4418       181.4052 667.4541       200.9900 164.1375 19.20761 137.4414 25.88424 26.69614       32.23237 
1 1 1 -26 8  34 o 137.5052 16.84595 607.4016       133.0173 656.2545       183.6730 553.5194       192.8955 137.6212 23.60619 122.7786 27.47581 14.84264       36.22392 
1 1 1 -26 8  35 o 80.84407 24.48311 235.6242       126.0427 227.1955       170.1352 245.8778       187.6521 78.78072 28.56990 81.12093 29.91092 -2.340210      41.36306 
1 1 1 -26 8  36 o 102.0908 22.59149 367.9017       131.6806 368.3401       176.3915 367.3498       197.9094 96.89910 28.87732 94.95077 30.95422 1.948334       42.33276 
1 1 1 -26 8  37 o 88.75823 24.94224 292.6977       135.1891 312.5744       185.9764 270.4264       196.8602 87.97848 30.03579 82.52621 30.59856 5.452271       42.87680 
1 1 1 -26 8  38 o 92.18102 25.36591 320.9755       141.4292 -47.18184      188.3717 796.6328       214.1145 54.20335 25.08396 146.6714 25.83481 -92.46806      36.00892 
1 1 1 -26 8  39 o 64.31266 25.29076 133.2919       139.7518 187.7090       184.8801 60.74644       213.4655 72.23881 28.86940 63.29733 28.25238 8.941483       40.39355 
1 1 1 -26 8  40 o 38.90223 18.97476 -193.1884      140.9493 -163.3479      191.6697 -228.3284      207.9943 48.10498 23.13857 47.56996 23.16858 0.5350227      32.74411 
1 1 1 -26 9  1  o 152.4550 27.03792 723.6709       232.8980 719.7947       320.3982 728.0137       339.1347 149.2018 36.83887 149.6906 38.43480 -0.4887085     53.23848 
1 1 1 -26 9  2  o 347.8011 13.87527 3584.844       282.4558 3594.152       411.6127 3576.560       388.3106 346.1702 20.36438 345.7370 19.22634 0.4332275      28.00643 
1 1 1 -26 9  3  o 1021.847 25.00577 31526.81       1498.568 0.000000       0.000000 31526.81       1498.568 ?        ?        1021.847 25.00577 0.000000       25.00577 
1 1 1 -26 9  4  o 123.7894 29.84978 486.1912       214.1696 367.7095       272.8695 676.2839       345.6305 110.0877 36.37167 144.1002 39.65447 -34.01253      53.80870 
1 1 1 -26 9  5  o 443.0868 17.79735 5854.330       461.5407 0.000000       0.000000 5854.330       461.5407 ?        ?        443.0868 17.79735 0.000000       17.79735 
1 1 1 -26 9  6  o 356.9034 13.37009 3773.242       279.3619 3653.426       395.1510 3892.968       395.0039 349.2575 19.36737 360.7985 18.73164 -11.54095      26.94382 
1 1 1 -26 9  7  o 114.2514 29.14045 413.8824       195.8467 435.9851       249.6150 378.4874       315.8773 117.1418 34.20761 113.0267 39.12380 4.115036       51.96954 
1 1 1 -26 9  8  f 130.0251 26.08441 529.6559       191.9857 572.2990       246.6153 464.0583       305.8723 133.7464 31.89105 121.2529 38.38287 12.49352       49.90274 
1 1 1 -26 9  9  o 137.0264 24.48868 583.4258       189.5745 448.2095       239.5297 810.1224       310.1468 118.4187 33.17307 158.6744 34.32739 -40.25576      47.73701 
1 1 1 -26 9  10 o 70.68364 28.39169 80.86362       179.7543 91.13651       229.6355 64.60899       288.8560 78.32053 31.86209 83.44548 35.00181 -5.124947      47.33201 
1 1 1 -26 9  11 o 178.0712 17.63371 954.8443       181.7411 1049.634       229.7461 796.3453       297.0845 185.6525 21.49752 157.3765 33.23188 28.27597       39.57905 
1 1 1 -26 9  12 o 121.8283 24.19442 464.5318       166.7706 291.8749       203.7802 814.6874       290.2021 97.58008 31.37774 159.4726 32.14030 -61.89255      44.91727 
1 1 1 -26 9  13 o 232.9991 14.76144 1619.214       200.6758 1943.105       266.5390 1195.347       304.9131 254.3312 17.98543 195.9072 27.27716 58.42398       32.67291 
1 1 1 -26 9  14 o 357.6994 14.97700 3812.175       313.4957 2890.362       634.5259 4109.849       360.5777 299.5191 36.90147 370.7523 16.62534 -71.23318      40.47370 
1 1 1 -26 9  15 o 381.0502 11.25862 4298.395       251.3284 4501.854       346.6212 4072.850       364.9507 388.4551 15.24431 368.7192 16.92183 19.73590       22.77580 
1 1 1 -26 9  16 o 231.7746 16.38778 1613.378       221.3234 1745.785       255.5318 1215.779       442.8051 240.4717 18.25523 189.5648 41.02243 50.90698       44.90092 
1 1 1 -26 9  17 o 213.0184 17.37956 1369.447       215.2381 1445.037       241.2667 1074.732       476.3958 218.2476 19.03981 174.7430 45.90141 43.50465       49.69360 
1 1 1 -26 9  18 o 178.4332 18.82224 969.5723       194.0046 877.8025       214.3251 1385.846       456.4702 168.4569 22.23620 202.4782 39.85962 -34.02129      45.64250 
1 1 1 -26 9  19 o 358.9273 10.77958 3817.636       226.6556 4012.475       311.0568 3597.084       330.9458 366.4426 14.50246 346.0466 16.35318 20.39600       21.85745 
1 1 1 -26 9  20 o 167.8939 16.04890 852.2704       156.1058 850.3267       200.9310 855.2300       247.9408 165.9153 21.12813 164.0416 26.68829 1.873718       34.03914 
1 1 1 -26 9  21 o 88.05545 26.72083 246.0866       150.0312 306.1738       188.6472 142.6701       247.4882 97.50435 30.03565 83.23082 33.35447 14.27353       44.88498 
1 1 1 -26 9  22 o 214.1947 14.23518 1378.654       177.8078 1486.692       243.6105 1255.479       260.1167 220.4223 19.03094 200.7809 22.47518 19.64139       29.45013 
1 1 1 -26 9  23 o 145.0201 18.62112 649.5384       154.7238 594.9288       197.5385 736.2197       248.8742 135.6964 25.76377 149.4033 29.45075 -13.70695      39.12951 
1 1 1 -26 9  24 o 210.1311 13.21044 1327.916       161.9776 1215.834       210.4251 1490.906       253.7525 198.7902 18.25252 219.3202 19.94588 -20.53000      27.03688 
1 1 1 -26 9  25 o 58.70336 24.01175 54.71891       131.2817 138.2734       169.9875 -68.77551      206.6597 73.24316 28.14498 60.15410 27.24044 13.08905       39.16862 
1 1 1 -26 9  26 o 168.2477 14.11487 862.1550       137.9933 906.2419       179.5942 798.6132       215.6093 170.4589 18.24842 156.4257 24.28973 14.03322       30.38085 
1 1 1 -26 9  27 o 55.57634 22.98297 45.41828       122.0007 103.8879       159.5012 -37.02152      189.3944 67.31183 26.84333 58.89742 26.42600 8.414406       37.66827 
1 1 1 -26 9  28 o 168.1830 14.16777 867.1043       138.4461 908.3015       185.6169 815.4478       207.8484 169.3077 19.02215 157.5852 23.18167 11.72247       29.98720 
1 1 1 -26 9  29 o 48.54528 21.55880 -19.91518      122.6996 107.8364       164.6766 -179.3524      183.9686 67.57318 27.16357 49.02834 23.33280 18.54484       35.80893 
1 1 1 -26 9  30 o 173.0704 13.59350 919.5225       136.8698 761.0198       185.2518 1110.046       203.1038 152.5369 21.28692 186.5894 18.81688 -34.05243      28.41141 
1 1 1 -26 9  31 o 222.3637 11.81622 1503.244       153.5434 1514.511       210.2074 1490.357       224.8141 219.6175 16.43968 216.5806 17.85772 3.036926       24.27265 
1 1 1 -26 9  32 o 96.91158 22.16495 321.0747       123.2337 220.5925       160.2304 466.5827       192.8163 79.37923 27.84002 112.0497 29.08927 -32.67043      40.26477 
1 1 1 -26 9  33 o 45.05903 20.68229 -55.66367      124.3906 -25.54146      167.5811 -92.62379      185.6300 54.52361 24.62580 52.80668 24.59547 1.716930       34.80470 
1 1 1 -26 9  34 o 81.94633 24.65428 240.5047       128.1118 74.58832       171.3842 450.6242       192.8676 62.77263 26.67624 108.3149 29.54810 -45.54226      39.80844 
1 1 1 -26 9  35 o 51.55684 22.27746 25.33018       123.2489 -62.88823      164.6854 137.6478       185.8231 50.86036 23.50767 69.29974 28.48135 -18.43938      36.92963 
1 1 1 -26 9  36 o 57.38739 23.61017 76.28712       127.8694 76.39728       170.3101 76.14481       193.5873 61.83149 26.44379 63.96554 27.77842 -2.134048      38.35251 
1 1 1 -26 9  37 o 156.2141 16.16738 788.6569       145.9804 652.4131       194.8495 962.9715       220.3981 132.9016 25.93012 164.9503 23.44191 -32.04872      34.95560 
1 1 1 -26 9  38 o 130.7856 18.83759 576.1231       140.3279 555.3177       189.7054 601.2637       208.5357 119.8214 27.56925 122.7201 29.36717 -2.898712      40.28020 
1 1 1 -26 9  39 o 63.09985 25.42727 120.8658       144.6768 299.4805       193.5829 -105.1306      217.7504 84.50064 30.49828 54.20659 25.67734 30.29405       39.86817 
1 1 1 -26 9  40 o 91.95787 26.77132 335.4103       153.0924 277.9294       205.2847 407.4355       229.7930 80.96477 30.97543 93.73538 33.29847 -12.77061      45.47819 
1 1 1 -26 10 1  o 149.3669 26.23425 693.7235       221.4314 804.3975       282.6857 517.9893       356.2125 159.4374 31.34958 128.2172 41.50793 31.22020       52.01639 
1 1 1 -26 10 2  o 709.9350 18.38237 15031.15       764.7246 13895.92       989.1216 16718.05       1205.731 677.8356 24.92384 740.8411 27.80008 -63.00555      37.33688 
1 1 1 -26 10 3  o 515.0353 17.14582 7898.528       517.1780 0.000000       0.000000 7898.528       517.1780 ?        ?        515.0353 17.14582 0.000000       17.14582 
1 1 1 -26 10 4  f 245.7011 16.12435 1800.345       231.0644 1822.413       303.6850 1770.005       356.0830 245.7055 21.28425 240.5909 25.63018 5.114655       33.31554 
1 1 1 -26 10 5  o 170.9915 21.06948 888.6218       206.8267 1160.106       266.8477 480.1379       327.3246 194.8278 23.85086 123.5587 39.77104 71.26909       46.37455 
1 1 1 -26 10 6  o 67.04900 28.05466 34.53127       184.8728 -53.82422      226.4542 211.0916       320.1180 66.64066 29.45689 98.25400 38.38381 -31.61333      48.38414 
1 1 1 -26 10 7  o 396.5779 12.66579 4654.850       294.2078 4670.541       425.0299 4640.416       407.6589 395.2377 18.38664 394.2452 17.67608 0.9925537      25.50514 
1 1 1 -26 10 8  o 468.0756 12.63413 6483.951       346.5089 6904.511       544.3796 6197.500       449.2767 480.0922 19.37402 455.9989 16.82849 24.09329       25.66224 
1 1 1 -26 10 9  o 199.4745 16.57069 1192.180       192.1069 1287.841       250.2020 1054.791       299.8479 206.0938 20.99299 183.6173 28.79007 22.47650       35.63108 
1 1 1 -26 10 10 o 78.59507 28.07173 166.2704       163.5266 129.8923       199.6737 240.3668       284.9701 78.29308 30.39141 97.42504 36.67453 -19.13196      47.63044 
1 1 1 -26 10 11 o 57.24634 25.15231 -32.35191      162.7894 15.83249       198.9233 -130.0486      283.2517 67.38844 28.69236 70.19085 31.82767 -2.802406      42.85152 
1 1 1 -26 10 12 o 177.9412 17.48039 954.2200       180.0704 985.1207       230.4355 905.7578       288.5804 179.3222 22.39820 168.9668 30.23157 10.35539       37.62482 
1 1 1 -26 10 13 f 72.14574 27.67952 115.4055       164.2334 96.57631       197.7932 157.2073       294.7088 74.43098 29.82158 90.67746 36.37745 -16.24648      47.03876 
1 1 1 -26 10 14 o 184.6818 16.16651 1025.193       173.3380 783.7786       211.6499 1516.972       302.0794 159.0694 23.38461 222.2131 23.53675 -63.14363      33.17858 
1 1 1 -26 10 15 o 302.3510 13.11198 2718.557       231.9511 2519.653       268.1721 3309.299       462.1589 290.1338 15.82017 328.3637 24.16792 -38.22992      28.88540 
1 1 1 -26 10 16 o 356.1612 12.93465 3771.042       269.7304 3836.340       311.8693 3577.199       537.3397 358.4564 14.86721 339.0709 27.25070 19.38547       31.04246 
1 1 1 -26 10 17 o 198.5906 14.71817 1182.193       170.2022 1062.570       210.2572 1409.587       289.8903 186.6768 19.49168 213.5426 23.53717 -26.86578      30.56017 
1 1 1 -26 10 18 o 205.4125 14.04638 1262.851       168.1978 1366.054       213.4906 1093.964       273.1049 212.6048 17.27063 186.7506 25.60921 25.85423       30.88861 
1 1 1 -26 10 19 o 216.7599 13.64083 1404.951       172.5291 1079.374       224.6120 1873.482       269.4483 187.4072 20.78511 248.4671 18.62638 -61.05991      27.90991 
1 1 1 -26 10 20 o 314.2562 11.22149 2932.469       206.4845 3001.711       276.0053 2844.457       311.1741 316.4500 14.91370 306.8492 17.36215 9.600830       22.88805 
1 1 1 -26 10 21 o 254.5965 12.27526 1933.020       182.7477 1775.216       237.2830 2163.091       286.5096 242.1872 16.81003 266.6297 18.43582 -24.44244      24.94908 
1 1 1 -26 10 22 o 151.7375 18.13003 707.4873       158.1511 708.9042       199.8985 705.1163       258.5804 149.6437 23.55494 145.4628 31.24316 4.180939       39.12762 
1 1 1 -26 10 23 o 38.71859 18.87265 -236.4231      138.7840 -81.91120      171.1223 -533.3793      237.2313 53.97067 24.57667 45.85249 22.78344 8.118183       33.51265 
1 1 1 -26 10 24 o 201.4396 13.40052 1223.445       157.4130 1273.770       205.5899 1152.141       244.7191 203.6936 17.37546 190.9546 22.26931 12.73894       28.24586 
1 1 1 -26 10 25 o 260.6039 11.15982 2032.475       170.1696 2043.886       225.9536 2017.522       258.6611 259.2961 14.92144 256.0494 17.32695 3.246613       22.86641 
1 1 1 -26 10 26 o 52.54954 22.72155 5.743028       128.3815 144.5182       166.0291 -200.6172      202.4610 72.85735 27.86098 51.60927 24.53726 21.24808       37.12561 
1 1 1 -26 10 27 o 157.2031 14.90564 760.3463       135.7821 925.1773       179.4711 539.7025       207.6448 171.7146 18.09281 124.3175 29.01178 47.39705       34.19112 
1 1 1 -26 10 28 o 45.73378 20.67510 -43.05214      118.4482 55.55236       152.4054 -193.4655      188.2328 60.82898 25.46362 49.15334 23.45074 11.67565       34.61695 
1 1 1 -26 10 29 o 123.1441 18.85627 486.5972       131.8536 367.0603       173.1474 651.6031       203.4299 101.7215 28.09602 137.9212 26.10546 -36.19968      38.35207 
1 1 1 -26 10 30 o 227.1951 11.74984 1565.792       156.0283 1555.212       210.7998 1578.612       232.0410 223.1088 16.22108 223.3506 17.86321 -0.2418365     24.12919 
1 1 1 -26 10 31 o 151.3327 14.87511 714.9006       130.3168 593.5010       172.1261 877.9438       199.4754 132.4356 22.99482 162.9063 21.39522 -30.47073      31.40887 
1 1 1 -26 10 32 o 235.8711 17.53535 1774.993       240.8361 2364.697       471.9929 1567.413       280.0341 248.8404 33.16695 216.2095 22.40893 32.63087       40.02757 
1 1 1 -26 10 33 o 183.6476 12.97521 1041.521       138.8497 1267.765       186.7963 762.1617       207.5686 200.0949 16.05231 147.5276 24.87419 52.56732       29.60409 
1 1 1 -26 10 34 o 168.7514 14.82804 897.4225       145.2605 865.2668       199.9052 933.3954       211.4383 159.4217 21.96398 165.1975 22.40039 -5.775742      31.37186 
1 1 1 -26 10 35 o 47.30943 21.35765 -24.74403      125.8832 40.80268       166.7956 -111.4882      191.8798 58.70815 25.63555 51.84214 24.41966 6.866005       35.40482 
1 1 1 -26 10 36 o 108.7909 20.98427 408.6754       129.0348 308.4380       168.6355 550.2568       200.4181 88.62903 28.54815 118.7595 29.02465 -30.13049      40.71152 
1 1 1 -26 10 37 o 150.2801 15.79964 728.2577       137.1708 667.4269       180.2402 811.9829       211.4550 137.0478 23.25523 149.4224 25.01301 -12.37460      34.15342 
1 1 1 -26 10 38 o 170.1620 15.30577 931.4844       151.1149 891.9260       203.4116 980.2070       225.7469 158.8946 22.45306 164.6277 24.09455 -5.733154      32.93459 
1 1 1 -26 10 39 o 64.27209 25.87041 128.8425       149.5803 -71.89554      199.3629 387.3937       226.2573 53.73119 25.17709 92.62450 33.02685 -38.89331      41.52901 
1 1 1 -26 11 1  o 322.3518 13.70121 3081.094       258.4330 3036.851       355.0214 3130.964       376.9199 318.3733 19.10158 322.9588 19.99802 -4.585571      27.65486 
1 1 1 -26 11 2  o 667.2408 17.67282 13269.34       690.9656 11830.09       864.3840 15816.90       1150.010 626.0493 23.58440 720.6160 27.26032 -94.56671      36.04649 
1 1 1 -26 11 3  o 621.7734 18.35169 11539.81       668.4721 0.000000       0.000000 11539.81       668.4721 ?        ?        621.7734 18.35169 0.000000       18.35169 
1 1 1 -26 11 4  o 261.9117 14.43785 2039.019       220.9147 1825.435       283.5569 2368.866       352.3813 246.2904 19.79763 280.1116 21.61734 -33.82115      29.31306 
1 1 1 -26 11 5  o 218.2103 15.81043 1421.569       200.9621 996.1849       250.2185 2194.597       337.3080 180.0919 24.31084 269.5391 21.51653 -89.44722      32.46503 
1 1 1 -26 11 6  o 91.05380 29.78721 248.1038       183.1912 263.9334       226.4389 218.1174       311.6578 95.68272 33.12486 97.92458 37.98085 -2.241859      50.39645 
1 1 1 -26 11 7  o 125.5981 24.91022 493.5288       177.0075 532.5468       215.5358 412.6972       310.2257 129.4420 29.10103 115.8008 38.79602 13.64114       48.49744 
1 1 1 -26 11 8  o 64.26405 27.19561 19.44184       176.8642 -94.43937      212.9831 272.4318       317.4467 61.62218 27.80339 102.8665 38.71118 -41.24430      47.66113 
1 1 1 -26 11 9  f 167.9776 18.45068 853.0045       178.7780 756.6768       219.0475 1045.185       309.3981 156.2193 24.73112 182.1294 30.01023 -25.91014      38.88755 
1 1 1 -26 11 10 o 296.4903 14.83764 2617.451       257.1837 2693.235       298.1751 2397.262       508.2548 300.0523 17.01403 276.2297 31.96238 23.82260       36.20871 
1 1 1 -26 11 11 o 359.1788 12.27342 3822.187       258.1596 3812.738       374.5715 3830.737       356.2990 356.6600 17.96514 357.8972 17.02365 -1.237213      24.74976 
1 1 1 -26 11 12 o 100.9081 27.36632 323.3967       166.0092 413.3143       203.3939 143.9588       287.3246 113.4451 30.08372 88.85287 35.82327 24.59219       46.77966 
1 1 1 -26 11 13 o 342.6524 12.22615 3482.073       245.3000 3663.218       346.9391 3300.997       346.8741 349.6622 16.96886 331.4805 17.90932 18.18173       24.67156 
1 1 1 -26 11 14 o 76.94227 28.07782 155.9130       164.6821 266.8474       198.2526 -91.01651      295.7825 93.56651 31.00582 73.55776 33.01243 20.00874       45.28997 
1 1 1 -26 11 15 o 268.2228 12.46201 2138.390       195.4994 2223.955       252.0275 2009.117       309.7787 272.4334 15.84217 256.9332 20.73395 15.50018       26.09351 
1 1 1 -26 11 16 o 310.3515 16.15733 2888.882       293.0730 3657.141       666.4861 2704.721       326.3145 336.9364 34.20153 299.1404 18.69334 37.79602       38.97673 
1 1 1 -26 11 17 f 243.2189 12.44310 1760.820       176.9011 1674.796       219.2516 1921.277       299.4418 236.0672 15.92968 250.9701 20.52324 -14.90291      25.97996 
1 1 1 -26 11 18 o 212.3060 15.98077 1357.277       197.5199 1124.065       227.6883 2066.556       397.0765 191.4082 20.60715 256.6928 26.76897 -65.28456      33.78214 
1 1 1 -26 11 19 f 105.2615 25.77239 356.6922       157.8039 129.5720       198.9042 742.4669       259.2286 77.05485 30.21091 150.9045 30.34369 -73.84966      42.81867 
1 1 1 -26 11 20 o 252.0748 12.04916 1893.067       177.6142 1899.510       228.7222 1883.278       281.9022 251.1775 15.60367 248.2941 19.51569 2.883438       24.98673 
1 1 1 -26 11 21 o 101.5811 24.81852 333.5739       146.5741 211.4091       176.4755 605.2798       263.1850 84.01934 29.23426 133.6716 33.61086 -49.65229      44.54584 
1 1 1 -26 11 22 o 95.88699 33.14182 291.4614       226.6331 -224.6734      580.2141 384.3857       246.1906 93.41866 43.50185 107.1084 34.49304 -13.68970      55.51739 
1 1 1 -26 11 23 o 119.2709 21.00907 451.1397       141.5913 357.5548       172.7724 642.5453       247.0865 103.5946 27.84260 137.5055 31.33920 -33.91090      41.92083 
1 1 1 -26 11 24 o 154.1231 16.37881 730.4873       145.7829 663.5646       184.1359 842.8909       238.6392 143.9106 22.55773 160.2743 26.29930 -16.36371      34.64829 
1 1 1 -26 11 25 o 144.3732 16.83979 646.4512       139.9107 756.2577       177.7400 467.5752       226.8544 154.6152 20.07467 114.8165 32.32603 39.79866       38.05213 
1 1 1 -26 11 26 o 92.39669 23.98039 285.7594       131.0608 307.4328       166.0116 249.9043       213.5262 94.54745 27.97465 87.60131 31.97105 6.946144       42.48211 
1 1 1 -26 11 27 o 96.77953 22.19248 310.6894       123.2716 172.5679       157.7152 527.5558       197.6238 75.05694 27.46369 123.2569 27.98067 -48.19994      39.20679 
1 1 1 -26 11 28 o 85.22060 24.03023 246.2057       125.2603 184.7150       160.6592 341.5300       200.0334 76.40327 27.75495 97.29671 31.06790 -20.89344      41.65995 
1 1 1 -26 11 29 o 169.5731 14.00996 884.8250       138.0878 725.4903       183.5337 1092.690       209.6290 148.7074 21.68197 184.5469 19.67128 -35.83951      29.27571 
1 1 1 -26 11 30 o 268.5481 10.89781 2178.437       171.2808 2409.658       239.1392 1934.873       245.4389 279.2114 14.65515 247.9532 16.98058 31.25818       22.43019 
1 1 1 -26 11 31 o 77.50562 27.47000 206.3721       156.3100 267.3167       179.4679 14.87754       318.1248 85.73880 29.49832 73.30706 33.43112 12.43174       44.58465 
1 1 1 -26 11 32 o 68.28879 24.34149 151.9959       122.8932 128.6162       163.7010 182.1874       186.0262 68.02583 27.17231 75.27357 29.30212 -7.247749      39.96184 
1 1 1 -26 11 33 o 56.01715 22.95460 65.96207       120.2492 -19.91101      154.9853 195.8411       190.6037 52.85962 23.79535 76.33333 29.67570 -23.47371      38.03769 
1 1 1 -26 11 34 o 48.51683 21.38289 1.578073       118.4985 82.71610       150.9163 -128.8719      191.3578 61.06827 25.43435 51.05464 24.15064 10.01363       35.07363 
1 1 1 -26 11 35 o 78.67146 24.92559 226.1244       128.9649 119.8722       168.6134 375.9039       200.1933 65.97095 27.12368 95.90580 31.12275 -29.93484      41.28340 
1 1 1 -26 11 36 o 83.54627 25.06101 259.5123       132.5193 187.7949       176.6029 351.9342       200.4809 73.13992 28.52785 92.15948 31.18907 -19.01957      42.26815 
1 1 1 -26 11 37 o 159.5580 15.38619 818.0319       142.1958 849.3651       192.3423 780.2667       211.1633 156.4482 21.53360 145.3394 25.71398 11.10881       33.53960 
1 1 1 -26 11 38 o 71.50489 25.75450 188.0234       137.9598 74.18243       187.7244 321.7096       203.4298 62.19178 27.17572 86.83366 31.27425 -24.64189      41.43185 
1 1 1 -26 11 39 o 149.4850 19.01287 757.2783       162.9184 768.6901       210.0580 740.0506       258.0926 142.7964 26.04177 129.5657 33.66411 13.23071       42.56108 
1 1 1 -26 12 1  o 152.8416 23.93610 720.9819       207.5215 775.7687       257.1421 618.6522       351.4277 157.0006 28.99466 137.6319 40.69646 19.36868       49.96892 
1 1 1 -26 12 2  o 363.5287 13.14088 3915.767       279.7038 4018.323       389.8176 3806.937       401.5659 366.5411 18.19061 356.3128 19.28844 10.22833       26.51305 
1 1 1 -26 12 3  o 532.5952 13.09711 8394.378       409.0943 6993.348       567.6180 9908.752       590.1319 482.7671 20.09177 576.3481 17.47897 -93.58105      26.63069 
1 1 1 -26 12 4  o 210.1227 17.03207 1323.183       208.0917 1261.463       258.6292 1436.491       350.4264 203.6705 22.00080 215.0469 28.48504 -11.37643      35.99212 
1 1 1 -26 12 5  o 485.2950 17.23699 7026.979       489.8100 0.000000       0.000000 7026.979       489.8100 ?        ?        485.2950 17.23699 0.000000       17.23699 
1 1 1 -26 12 6  o 277.0873 21.70764 2323.524       349.9462 0.000000       0.000000 2323.524       349.9462 ?        ?        277.0873 21.70764 0.000000       21.70764 
1 1 1 -26 12 7  o 181.8655 18.50374 998.3176       194.6151 1044.032       242.3899 915.3859       326.4738 184.6843 22.86670 168.5740 34.19313 16.11029       41.13461 
1 1 1 -26 12 8  o 147.7104 21.99925 670.8094       184.7708 563.9489       230.8947 861.0987       308.1148 132.7412 30.32506 163.6473 33.23919 -30.90607      44.99392 
1 1 1 -26 12 9  o 90.26472 28.12845 250.6125       164.9050 319.6383       197.9599 94.11855       298.0715 100.9520 30.70575 86.37394 35.84002 14.57809       47.19481 
1 1 1 -26 12 10 o 166.2249 18.04073 835.6346       173.0567 960.0486       212.8036 592.6868       297.3726 177.4477 20.84542 134.3280 36.70896 43.11974       42.21468 
1 1 1 -26 12 11 o 463.6485 12.34122 6370.508       335.2826 5846.032       486.5789 6844.664       462.6481 441.0565 18.85435 478.6425 16.50591 -37.58594      25.05857 
1 1 1 -26 12 12 o 146.9405 21.05965 664.1638       176.3045 518.0624       220.7315 921.6204       293.0145 126.6905 30.14662 169.8212 30.54312 -43.13071      42.91504 
1 1 1 -26 12 13 o 243.5124 13.70544 1767.490       194.9432 1806.087       253.9532 1712.117       304.1765 244.8170 17.80909 236.5887 22.18070 8.228363       28.44551 
1 1 1 -26 12 14 o 122.2762 23.56905 470.1374       162.8909 517.4144       204.1800 387.3702       270.1575 126.9186 28.16655 110.3365 36.17768 16.58216       45.84953 
1 1 1 -26 12 15 o 139.9330 20.67225 604.4510       164.5511 717.8094       203.3266 389.2745       280.1334 151.6584 23.62974 110.6097 36.86277 41.04869       43.78617 
1 1 1 -26 12 16 o 403.6769 12.57220 4843.748       297.2803 5220.824       359.2853 4025.177       529.3621 418.0957 14.67531 360.6579 25.18516 57.43787       29.14887 
1 1 1 -26 12 17 o 150.7403 21.79432 705.0853       187.0879 705.0853       187.0879 0.000000       0.000000 150.7403 21.79432 ?        ?        0.000000       21.79432 
1 1 1 -26 12 18 o 50.51282 22.77603 -61.52593      142.6543 -44.04784      170.4708 -102.3620      260.5702 57.15990 25.39642 67.52444 30.58196 -10.36455      39.75216 
1 1 1 -26 12 19 o 154.6758 18.08593 731.6998       160.9705 490.0275       201.3944 1159.199       267.8562 122.5044 28.56022 192.3578 24.28343 -69.85333      37.48828 
1 1 1 -26 12 20 o 111.1943 24.75596 398.1437       157.2906 313.3250       190.9664 577.0724       277.3645 98.20947 30.21378 129.9661 35.42616 -31.75662      46.56055 
1 1 1 -26 12 21 o 158.5691 17.01537 768.3914       155.7657 729.7193       193.6177 839.3409       262.2535 152.3167 22.33792 160.1414 28.99035 -7.824631      36.59813 
1 1 1 -26 12 22 o 197.6476 14.23080 1179.124       163.8530 1034.502       204.7358 1436.793       273.2792 182.8383 19.38823 214.2110 22.06818 -31.37276      29.37530 
1 1 1 -26 12 23 o 117.6176 20.94346 440.5582       139.1710 453.8255       169.8564 413.4593       242.7542 117.4305 25.40298 109.0499 34.15015 8.380562       42.56223 
1 1 1 -26 12 24 o 56.30590 23.31889 42.90062       125.8466 91.25237       154.0936 -53.94007      218.0758 65.86351 26.34462 62.52293 28.17865 3.340576       38.57558 
1 1 1 -26 12 25 o 227.4732 11.73872 1556.952       156.0738 1504.270       202.1137 1634.770       245.6424 221.4011 15.66677 228.9168 18.45304 -7.515747      24.20666 
1 1 1 -26 12 26 o 149.6318 15.38815 691.5591       133.1167 687.5877       169.2210 698.0062       215.6064 146.6098 20.21844 143.6346 26.57331 2.975113       33.39051 
1 1 1 -26 12 27 o 221.4706 11.88315 1482.902       153.7818 1550.702       203.3873 1392.403       234.9779 224.1131 15.57096 209.4968 19.34321 14.61630       24.83173 
1 1 1 -26 12 28 o 59.35329 23.78405 76.51348       125.8311 225.0657       156.5688 -194.4557      211.4587 81.55384 27.56267 52.56083 25.01435 28.99301       37.22121 
1 1 1 -26 12 29 o 98.35114 23.07476 328.6998       130.7881 276.1216       171.8040 401.1657       201.6959 88.14951 28.84714 104.0307 30.84884 -15.88116      42.23516 
1 1 1 -26 12 30 o 142.5308 16.91932 645.3675       138.6741 502.3880       183.6966 834.8112       211.4483 118.7334 26.99346 156.9763 23.70584 -38.24295      35.92511 
1 1 1 -26 12 31 o 151.2579 14.92830 716.7326       130.7031 598.5552       172.8363 874.5908       199.7567 132.5035 23.07937 161.9601 21.56564 -29.45651      31.58693 
1 1 1 -26 12 32 o 129.9636 16.65365 540.9376       124.0218 505.8701       170.2631 580.5748       181.0171 119.5798 25.08007 128.4737 24.92393 -8.893875      35.35834 
1 1 1 -26 12 33 o 209.1270 12.22439 1344.917       149.2761 1297.943       200.7908 1402.962       223.1993 200.9544 17.20241 207.5378 18.53251 -6.583405      25.28589 
1 1 1 -26 12 34 o 147.5148 15.76932 695.6017       134.3128 701.2816       175.7685 687.6308       208.2231 143.2551 21.59106 136.6708 26.93599 6.584259       34.52132 
1 1 1 -26 12 35 o 41.34059 19.64875 -115.9288      129.6164 -125.2048      168.9205 -102.6475      202.1271 47.52438 22.54238 53.36152 25.11301 -5.837143      33.74643 
1 1 1 -26 12 36 o 125.2558 19.47440 529.8387       138.4118 438.2352       185.0265 646.2361       208.5690 105.0333 29.05660 129.7142 28.22084 -24.68096      40.50558 
1 1 1 -26 12 37 o 128.2171 19.32617 557.5930       140.8144 630.9754       190.6826 469.5728       208.8364 129.8835 25.94117 105.1494 31.44145 24.73411       40.76161 
1 1 1 -26 12 38 o 72.19861 26.36320 193.5199       145.2163 319.4163       200.0693 53.34658       211.1089 86.59154 31.03610 62.56348 27.99824 24.02805       41.79882 
1 1 1 -26 12 39 o 62.87381 25.59567 120.0374       148.3125 354.2240       400.2820 82.77094       159.6777 84.79714 38.20073 59.99637 25.63061 24.80077       46.00243 
1 1 1 -26 13 1  o 215.1775 17.06538 1387.842       213.5966 1198.678       255.0952 1831.560       390.6937 198.3181 22.31965 243.3557 27.87696 -45.03755      35.71123 
1 1 1 -26 13 2  o 768.9820 19.33851 17711.85       871.4552 16003.40       1114.693 20397.52       1397.588 724.5201 26.27690 814.3073 29.31227 -89.78723      39.36603 
1 1 1 -26 13 3  o 306.9217 13.30890 2794.858       238.9939 2301.685       306.4539 3560.409       381.8143 276.7645 18.99528 344.4967 18.97127 -67.73227      26.84641 
1 1 1 -26 13 4  o 333.3863 20.12365 3345.340       391.6321 0.000000       0.000000 3345.340       391.6321 ?        ?        333.3863 20.12365 0.000000       20.12365 
1 1 1 -26 13 5  o 613.6588 17.95070 11256.38       645.3447 0.000000       0.000000 11256.38       645.3447 ?        ?        613.6588 17.95070 0.000000       17.95070 
1 1 1 -26 13 6  f 220.3406 14.99224 1448.754       192.5826 1514.823       235.8915 1316.707       333.4865 224.4676 18.07137 205.4409 28.44031 19.02666       33.69608 
1 1 1 -26 13 7  o 189.6767 17.45358 1082.749       191.9798 1198.173       244.1614 895.8256       310.7134 198.4118 21.31649 167.0009 32.89503 31.41093       39.19791 
1 1 1 -26 13 8  o 132.2788 22.66728 542.7301       169.5253 830.0491       203.7519 -103.5770      305.5898 164.6081 21.62847 74.56439 33.50233 90.04370       39.87727 
1 1 1 -26 13 9  o 160.8535 18.26529 784.1133       169.2615 633.3472       200.5919 1156.869       315.4088 142.3194 24.94113 191.7667 28.94510 -49.44728      38.20836 
1 1 1 -26 13 10 o 217.0041 14.40278 1405.863       182.2636 1628.809       227.8850 1010.050       303.6413 232.9293 16.79449 178.2631 30.11514 54.66620       34.48154 
1 1 1 -26 13 11 o 251.4757 13.29555 1882.216       195.3921 1929.127       247.0173 1803.800       319.3677 253.5283 16.70620 242.7752 22.69330 10.75304       28.17948 
1 1 1 -26 13 12 o 162.2688 19.25568 802.8032       179.6819 964.1213       226.4939 528.8857       295.1379 176.9396 22.32213 126.4264 37.27217 50.51315       43.44528 
1 1 1 -26 13 13 o 361.2274 12.24205 3873.343       258.9747 4109.445       375.6738 3659.539       357.4933 369.8377 17.36857 348.8847 17.52785 20.95297       24.67575 
1 1 1 -26 13 14 o 55.67976 24.29895 -18.09652      149.6668 32.71978       175.2846 -154.8358      287.5338 64.70245 27.21076 68.78123 31.52402 -4.078773      41.64359 
1 1 1 -26 13 15 o 316.6747 14.19870 2994.009       263.0307 3155.822       321.3533 2665.542       457.8485 323.9102 16.97564 292.0090 27.04182 31.90118       31.92855 
1 1 1 -26 13 16 o 190.4158 17.91436 1100.395       197.7072 1297.011       227.7398 498.9071       398.3292 206.4286 19.02518 123.7329 43.85193 82.69576       47.80114 
1 1 1 -26 13 17 o 339.9572 11.14119 3429.031       221.8295 3338.174       292.1804 3552.669       340.8394 333.8569 14.96046 343.4146 16.97574 -9.557678      22.62722 
1 1 1 -26 13 18 o 146.7939 21.82811 671.7689       182.2105 723.0085       208.6783 507.3390       373.8220 151.3638 24.33186 122.9763 42.56156 28.38750       49.02577 
1 1 1 -26 13 19 o 134.7828 22.03694 570.4726       168.1812 495.1738       183.0940 977.0449       425.4504 123.8591 26.03360 164.7263 43.42907 -40.86720      50.63430 
1 1 1 -26 13 20 o 48.97027 22.32644 -75.78771      141.7609 -125.0709      167.1314 50.59187       267.6375 50.57195 23.48087 77.48344 33.14391 -26.91149      40.61859 
1 1 1 -26 13 21 o 55.02387 26.10308 -230.6664      226.6449 -838.3354      576.1486 -119.4156      246.5202 76.52960 37.54474 63.65955 29.18135 12.87005       47.55164 
1 1 1 -26 13 22 o 123.1744 20.72717 480.6088       144.4196 506.8457       177.1151 428.5551       249.4734 124.5740 25.11077 111.0602 34.59540 13.51382       42.74801 
1 1 1 -26 13 23 o 68.61432 25.40491 129.3130       135.6178 164.7053       167.0248 60.82940       232.3377 76.00081 28.18362 72.61652 30.96639 3.384293       41.87163 
1 1 1 -26 13 24 o 127.8036 19.39110 517.7844       140.7863 549.7132       176.7232 462.3210       232.9192 129.2290 24.20687 113.6444 33.00307 15.58465       40.92891 
1 1 1 -26 13 25 o 69.09265 24.48180 144.1875       124.1457 95.23469       152.1328 241.7622       214.7843 65.46722 26.17972 86.65321 31.99159 -21.18598      41.33812 
1 1 1 -26 13 26 o 183.0023 13.34198 1020.800       142.2110 1002.453       181.1785 1050.244       229.5228 178.9523 17.48596 179.8416 22.23438 -0.8892212     28.28651 
1 1 1 -26 13 27 o 57.73905 23.61329 61.18106       126.9339 147.9135       158.4258 -94.32426      212.1327 71.62035 27.25728 57.94160 26.74485 13.67875       38.18699 
1 1 1 -26 13 28 o 202.6827 12.52104 1250.613       148.1092 1219.352       197.4353 1290.847       223.9836 196.9165 17.27059 201.0544 19.22961 -4.137970      25.84669 
1 1 1 -26 13 29 o 163.6216 14.62775 830.9151       138.8892 1027.712       186.3419 584.9343       208.3302 179.7113 17.91868 127.5249 28.56592 52.18637       33.72078 
1 1 1 -26 13 30 o 238.5813 11.13002 1726.749       155.3046 1812.055       221.2679 1643.917       218.0355 240.4359 15.77885 228.3953 16.38646 12.04053       22.74837 
1 1 1 -26 13 31 o 40.22352 18.96664 -100.5811      116.2995 -135.2419      157.6983 -59.25155      172.2018 46.03089 21.81839 52.99072 24.32725 -6.959827      32.67808 
1 1 1 -26 13 32 o 157.8420 14.44166 780.5613       132.2076 758.6089       181.3726 805.4492       193.1192 150.3645 21.15106 154.2586 21.96643 -3.894150      30.49412 
1 1 1 -26 13 33 o 102.5255 21.40029 361.5405       124.5137 337.7269       163.5161 394.4054       192.0940 94.45516 27.71526 100.0378 30.20974 -5.582588      40.99712 
1 1 1 -26 13 34 o 48.34926 21.76950 -19.64502      129.7954 127.2399       170.0144 -224.8647      200.9586 66.91637 27.34280 47.77694 23.15423 19.13943       35.82941 
1 1 1 -26 13 35 o 89.26135 24.40240 292.8349       131.3794 272.5522       169.3725 323.4735       208.1678 83.61195 28.66045 88.46585 31.66388 -4.853897      42.70857 
1 1 1 -26 13 36 o 117.9127 21.20821 483.1230       141.2694 351.2525       187.8589 654.7519       214.3154 92.36652 30.16105 129.3236 28.97674 -36.95711      41.82512 
1 1 1 -26 13 37 o 59.14837 26.36845 36.12017       185.3571 54.32736       427.9581 31.91595       205.6470 74.95917 35.64893 60.81200 27.38955 14.14717       44.95591 
1 1 1 -26 13 38 o 50.22807 22.59116 -5.136378      139.3546 -287.3429      390.0191 36.16405       149.2037 62.64366 30.76440 55.00258 24.12585 7.641083       39.09610 
1 1 1 -26 14 1  o 261.4811 15.09036 2038.200       230.4314 2072.367       293.4617 1983.259       372.1321 262.3596 19.20539 254.2221 25.29460 8.137558       31.75946 
1 1 1 -26 14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 14 3  o 308.9381 20.89912 2883.417       376.4319 0.000000       0.000000 2883.417       376.4319 ?        ?        308.9381 20.89912 0.000000       20.89912 
1 1 1 -26 14 4  o 470.4380 16.90565 6609.412       465.6698 0.000000       0.000000 6609.412       465.6698 ?        ?        470.4380 16.90565 0.000000       16.90565 
1 1 1 -26 14 5  o 259.5580 13.83334 2004.129       209.8170 2200.054       265.0797 1675.475       343.3218 271.1008 16.75415 233.2155 25.51715 37.88538       30.52583 
1 1 1 -26 14 6  f 312.8576 13.24168 2906.747       242.4137 3023.556       325.7469 2761.768       362.9049 317.5970 17.55684 302.2552 20.59543 15.34177       27.06316 
1 1 1 -26 14 7  o 97.09867 27.00393 298.3980       159.3440 319.0275       187.8138 245.4014       301.0285 100.4468 29.76381 98.62583 37.56377 1.821014       47.92620 
1 1 1 -26 14 8  o 208.6376 15.61927 1304.036       189.7319 1271.823       215.0927 1416.984       402.7640 205.3064 18.04723 209.9051 33.86990 -4.598740      38.37802 
1 1 1 -26 14 9  f 180.2510 15.59674 975.4847       163.2571 959.9528       196.0615 1010.605       294.8210 177.7743 19.10441 178.6005 29.15118 -0.8262177     34.85355 
1 1 1 -26 14 10 o 55.09445 23.83467 -8.527807      141.4190 -94.78044      161.4876 275.2394       292.9100 52.03534 23.76418 100.3061 37.29890 -48.27079      44.22606 
1 1 1 -26 14 11 o 401.7378 11.97378 4786.223       281.7991 5056.329       409.6120 4543.505       388.2905 410.5901 17.04745 389.1738 17.05369 21.41629       24.11315 
1 1 1 -26 14 12 o 163.2311 18.19311 809.8544       171.2080 884.1859       210.8663 666.0615       293.2850 169.4319 21.71968 141.5618 35.41679 27.87013       41.54628 
1 1 1 -26 14 13 o 268.1042 13.17455 2141.252       206.5180 2146.953       263.9406 2132.252       331.6362 267.1107 16.93583 264.1070 21.59923 3.003754       27.44720 
1 1 1 -26 14 14 o 91.15966 27.33511 262.8374       157.6815 398.1978       189.4817 -42.01556      284.3587 110.8256 28.86917 74.54510 32.97710 36.28055       43.82828 
1 1 1 -26 14 15 o 186.9915 16.37432 1055.670       177.7606 1203.832       222.2267 792.4429       296.2060 198.7011 19.31313 154.7957 33.59418 43.90536       38.75004 
1 1 1 -26 14 16 o 469.3126 14.30574 6579.125       393.2926 6983.189       524.8907 6061.873       593.8750 480.4599 18.66328 444.1859 22.87415 36.27405       29.52194 
1 1 1 -26 14 17 o 192.7255 16.79532 1125.103       187.9415 1225.305       208.9973 701.6316       429.6506 200.7418 17.94114 140.4043 45.59670 60.33751       48.99942 
1 1 1 -26 14 18 o 340.7038 11.13625 3448.930       222.2196 3498.033       289.7852 3378.836       346.2253 341.5817 14.49840 333.8892 17.74469 7.692505       22.91457 
1 1 1 -26 14 19 o 99.34757 26.23019 321.5023       155.0561 454.3195       186.5597 24.79122       278.8416 117.7338 27.51584 77.04354 33.39890 40.69031       43.27364 
1 1 1 -26 14 20 o 59.63559 24.72303 43.68056       141.6586 100.2096       166.6491 -103.5505      268.9470 69.35418 27.50965 67.67731 30.81538 1.676865       41.30821 
1 1 1 -26 14 21 o 220.0762 13.00604 1455.934       167.1198 1428.261       211.9967 1501.360       271.6184 216.1870 16.85357 219.0285 21.41846 -2.841492      27.25423 
1 1 1 -26 14 22 o 65.96266 24.42776 117.3640       125.3966 74.53913       147.3893 229.6091       238.6172 63.30429 25.60918 88.25143 33.48349 -24.94715      42.15417 
1 1 1 -26 14 23 f 281.4332 11.09144 2371.940       182.7101 2256.141       236.4562 2543.531       287.8369 272.2219 14.86719 287.3553 17.15769 -15.13333      22.70286 
1 1 1 -26 14 24 o 167.5349 14.75719 860.3406       143.5166 918.7776       182.2053 764.8277       232.9419 171.1543 18.44269 150.3223 27.43300 20.83205       33.05605 
1 1 1 -26 14 25 o 177.4313 13.48351 959.8161       139.2579 1004.921       172.7529 876.1180       235.3262 179.8667 16.56247 161.8073 25.65308 18.05936       30.53516 
1 1 1 -26 14 26 o 48.02016 21.50324 -30.97250      124.7331 -143.3521      151.7692 202.9153       218.9494 45.34355 21.46653 81.85005 31.80994 -36.50650      38.37557 
1 1 1 -26 14 27 o 123.0002 19.39440 487.9975       135.2752 368.3134       169.2204 699.8886       225.1599 102.1067 27.60362 141.3863 28.14384 -39.27957      39.42125 
1 1 1 -26 14 28 o 38.79879 18.58491 -143.8496      120.7852 -124.0632      150.9067 -179.1227      201.4866 45.97526 21.65611 51.44701 24.46525 -5.471752      32.67316 
1 1 1 -26 14 29 o 49.80116 21.94478 -4.549911      124.7527 -80.50027      162.9383 103.0481       193.9369 50.49554 23.35441 68.75542 28.74897 -18.25989      37.03960 
1 1 1 -26 14 30 o 212.4545 14.38734 1402.756       178.2082 1528.679       205.9601 1027.659       355.4707 220.3262 16.04925 155.4918 39.04169 64.83443       42.21175 
1 1 1 -26 14 31 o 87.18629 24.26366 269.6359       128.5980 239.1425       169.6008 310.8794       197.2434 81.32581 28.63292 90.08701 30.92719 -8.761200      42.14660 
1 1 1 -26 14 32 o 220.9102 11.77445 1495.235       151.9971 1695.051       211.4929 1281.773       218.5956 231.4932 15.67018 197.7516 19.08508 33.74158       24.69403 
1 1 1 -26 14 33 o 70.39427 25.40100 170.1646       134.2724 4.110731       175.7090 403.2435       208.1714 56.99824 25.52280 99.39797 31.68861 -42.39973      40.68884 
1 1 1 -26 14 34 o 75.02493 25.57681 204.7890       134.8482 291.2136       178.4607 89.77691       205.8713 85.95077 29.42060 66.08045 28.67188 19.87032       41.08099 
1 1 1 -26 14 35 o 71.21449 25.30573 181.0612       132.7258 257.3033       178.6658 87.17365       198.2659 81.19191 29.30025 64.91952 28.15289 16.27239       40.63360 
1 1 1 -26 14 36 o 52.95580 24.74555 -72.04950      190.3912 314.8586       431.2408 -165.7242      212.1910 85.38613 38.93347 51.07741 24.51041 34.30872       46.00625 
1 1 1 -26 14 37 o 175.4035 18.43172 1029.048       186.7774 0.000000       0.000000 1029.048       186.7774 ?        ?        175.4035 18.43172 0.000000       18.43172 
1 1 1 -26 14 38 o 45.56772 21.58299 -104.4521      153.7707 -211.8307      345.5012 -77.92821      171.7153 61.33526 29.87012 49.70857 23.31584 11.62669       37.89264 
1 1 1 -26 15 1  o 256.9836 43.88008 2211.950       637.6138 0.000000       0.000000 2211.950       637.6138 ?        ?        256.9836 43.88008 0.000000       43.88008 
1 1 1 -26 15 2  o 233.4803 17.24355 1637.242       234.4508 1411.107       251.8195 3108.970       642.4196 215.7222 20.13681 311.5453 35.81030 -95.82312      41.08368 
1 1 1 -26 15 3  o 460.1631 14.43149 6298.691       388.9879 5860.430       476.7496 7171.489       672.7920 441.8677 18.43754 485.2891 23.71081 -43.42142      30.03573 
1 1 1 -26 15 4  o 582.1898 26.60223 10417.09       905.9078 0.000000       0.000000 10417.09       905.9078 ?        ?        582.1898 26.60223 0.000000       26.60223 
1 1 1 -26 15 5  o 154.7447 21.31803 735.5397       188.3346 481.1750       226.4015 1307.016       339.3515 121.8967 31.45801 203.7129 29.24120 -81.81625      42.94944 
1 1 1 -26 15 6  o 294.0454 12.76452 2568.041       219.6007 2294.718       275.0491 3048.611       364.7123 276.5398 17.04186 317.7381 19.66821 -41.19836      26.02428 
1 1 1 -26 15 7  o 138.2398 21.12560 589.5339       165.8464 560.2062       191.8558 676.2372       329.8788 133.2876 25.47171 142.1672 38.58582 -8.879608      46.23498 
1 1 1 -26 15 8  o 161.6413 17.29344 790.6465       161.3952 959.6787       191.5824 377.4272       299.5445 177.8328 18.64628 110.5481 38.10658 67.28469       42.42400 
1 1 1 -26 15 9  o 113.3530 22.87975 403.7273       146.8534 509.8316       170.4178 97.66225       289.4379 127.4786 23.66540 85.00913 35.29919 42.46944       42.49805 
1 1 1 -26 15 10 o 287.3311 12.08341 2451.428       203.1665 2591.712       266.3743 2256.324       314.1395 294.2905 15.48806 272.7973 19.76918 21.49316       25.11375 
1 1 1 -26 15 11 o 299.2043 12.51325 2661.134       219.0931 2887.335       291.0481 2365.333       332.8265 310.3513 16.04492 278.8781 20.49256 31.47311       26.02661 
1 1 1 -26 15 12 f 122.2942 22.77405 469.4461       157.3327 638.2451       189.1817 90.83755       283.3279 142.8619 23.38793 83.49040 34.81725 59.37148       41.94325 
1 1 1 -26 15 13 o 70.95164 25.95468 131.5177       140.8457 220.8011       162.3039 -140.7560      283.4306 85.17010 28.04721 68.80637 31.44607 16.36373       42.13670 
1 1 1 -26 15 14 o 147.9290 18.13272 668.3259       154.0277 655.3915       182.1105 700.8336       288.7053 145.1124 22.09479 144.9595 34.46656 0.1528931      40.94048 
1 1 1 -26 15 15 o 215.7615 13.93609 1393.731       175.4026 1400.783       217.3418 1380.560       297.0396 215.0982 17.37664 210.3230 24.54182 4.775177       30.07072 
1 1 1 -26 15 16 o 267.1658 12.72273 2128.942       198.7752 2058.856       252.2915 2243.660       322.7759 261.2023 16.55447 270.7290 20.48090 -9.526764      26.33473 
1 1 1 -26 15 17 f 237.9538 15.07099 1703.848       209.2415 1763.678       235.0663 1475.555       459.1740 241.4154 16.70558 206.9959 39.25988 34.41948       42.66632 
1 1 1 -26 15 18 o 182.2564 17.44412 1013.583       184.1856 1087.038       202.5600 662.9162       442.5787 188.3155 18.58266 135.0791 46.32856 53.23645       49.91644 
1 1 1 -26 15 19 o 205.1018 14.67780 1269.850       175.3883 1096.138       218.5220 1584.347       294.0279 188.1193 20.11867 225.0478 22.58217 -36.92847      30.24426 
1 1 1 -26 15 20 o 67.57827 25.06086 121.3370       132.0640 198.3599       154.4006 -88.60592      254.9114 80.17893 27.36759 66.23173 30.09594 13.94720       40.67863 
1 1 1 -26 15 21 o 177.3364 14.53899 955.6655       149.8843 864.1818       183.0367 1141.874       261.1355 166.4881 19.09076 188.4995 24.17737 -22.01143      30.80588 
1 1 1 -26 15 22 o 107.6460 21.70017 375.5425       132.2608 412.7450       158.2041 289.1821       241.0399 111.5195 24.82728 93.83858 34.00953 17.68091       42.10751 
1 1 1 -26 15 23 o 160.9418 14.52230 792.8101       135.6008 779.1185       164.9331 821.3689       238.2046 157.7145 18.16268 156.4044 26.94086 1.310089       32.49143 
1 1 1 -26 15 24 o 181.9823 13.60394 1009.457       144.1420 960.9050       178.7783 1099.647       243.6642 175.3062 17.62773 183.7398 23.12285 -8.433670      29.07581 
1 1 1 -26 15 25 o 66.34203 24.84834 124.1003       130.4656 139.4489       160.0984 93.75827       225.1001 70.95193 27.30123 72.64587 30.70876 -1.693947      41.08997 
1 1 1 -26 15 26 o 159.2957 15.07180 785.4445       139.1310 825.9113       176.9281 719.8724       225.2203 160.8935 19.12402 144.0350 27.66709 16.85852       33.63326 
1 1 1 -26 15 27 o 129.7659 18.01567 537.5749       133.4145 525.7832       168.9355 557.1177       217.4836 124.6042 23.98773 123.6016 30.25160 1.002594       38.60791 
1 1 1 -26 15 28 o 158.7911 15.27169 787.4717       140.4693 872.3066       189.9956 685.1949       208.6145 163.6010 20.23266 140.0663 26.36287 23.53468       33.23193 
1 1 1 -26 15 29 o 132.6963 16.35723 559.2244       124.6060 433.3479       163.7618 732.3173       192.0347 110.5446 25.74157 147.0153 23.02783 -36.47062      34.53852 
1 1 1 -26 15 30 o 119.4940 19.67122 471.7515       133.0639 295.6497       176.8523 701.5148       202.0083 89.01424 29.27551 141.4769 25.27386 -52.46266      38.67588 
1 1 1 -26 15 31 o 51.37944 22.36304 15.17293       126.0568 -52.26897      166.2021 106.5127       193.4202 52.24341 23.95283 67.84760 28.56156 -15.60419      37.27600 
1 1 1 -26 15 32 o 109.0360 22.39270 413.1816       138.3979 578.2083       187.0141 213.3803       205.7768 126.1208 26.14282 77.96394 30.67983 48.15681       40.30756 
1 1 1 -26 15 33 o 55.88760 23.49010 58.50715       130.5085 132.7803       174.4823 -35.81839      196.6301 67.77477 27.69738 56.68204 26.01215 11.09274       37.99706 
1 1 1 -26 15 34 o 51.53041 22.38552 24.70708       125.8028 100.4398       166.4443 -76.20538      192.1320 63.59087 26.61454 53.43862 24.93396 10.15225       36.46966 
1 1 1 -26 15 35 o 61.45977 23.60795 117.5805       119.5684 -194.7019      468.3056 139.3575       123.6672 70.59561 34.46683 64.74348 24.20397 5.852135       42.11644 
1 1 1 -26 15 36 o 131.8938 19.89578 594.9278       149.1159 685.5813       403.4197 580.5822       160.4813 105.9633 42.54348 128.1810 22.14841 -22.21769      47.96353 
1 1 1 -26 15 37 o 114.7746 22.53412 472.1414       146.2664 193.4798       375.2255 522.0714       158.8306 78.15157 35.89009 119.9800 23.41306 -41.82841      42.85172 
1 1 1 -26 16 1  o 290.6378 14.12629 2516.299       240.0646 2674.098       300.2744 2236.769       399.6498 298.5137 17.22470 269.1837 25.62385 29.32996       30.87510 
1 1 1 -26 16 2  f 318.7676 13.42925 3021.561       250.4970 3189.187       324.2375 2773.377       394.5292 326.1553 17.00951 301.6241 22.46427 24.53116       28.17741 
1 1 1 -26 16 3  o 186.3666 18.82737 1053.089       202.9637 853.7302       231.7932 1708.310       420.2199 165.6430 24.60690 231.7632 31.74957 -66.12019      40.16883 
1 1 1 -26 16 4  o 461.3956 27.15351 6581.857       731.5192 0.000000       0.000000 6581.857       731.5192 ?        ?        461.3956 27.15351 0.000000       27.15351 
1 1 1 -26 16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 16 6  o 88.60416 36.93319 104.3314       318.6021 0.000000       0.000000 104.3314       318.6021 ?        ?        88.60416 36.93319 0.000000       36.93319 
1 1 1 -26 16 7  o 122.3332 24.42073 472.3033       169.0675 652.5682       202.1444 52.65507       308.4244 144.2004 24.79635 83.87601 35.72023 60.32439       43.48326 
1 1 1 -26 16 8  o 82.52729 27.81309 201.7778       159.4264 136.3041       186.9414 376.3927       305.2898 76.90280 29.52440 110.3774 38.44806 -33.47459      48.47622 
1 1 1 -26 16 9  o 170.9645 16.69621 883.0666       165.2762 789.3478       199.7873 1086.265       294.1811 159.8586 21.88375 185.3383 27.93128 -25.47972      35.48316 
1 1 1 -26 16 10 o 338.6006 11.95156 3403.659       236.9634 3403.799       318.3819 3403.485       354.8024 336.9087 16.16046 335.9660 18.07350 0.9427185      24.24483 
1 1 1 -26 16 11 o 255.1824 12.68844 1938.752       189.2976 1923.508       238.7049 1964.583       310.7332 252.9905 16.17286 253.5713 21.08536 -0.5808105     26.57355 
1 1 1 -26 16 12 o 333.2935 11.90243 3299.522       232.2818 3298.438       313.2729 3300.847       346.1785 331.4639 16.16395 330.7119 17.91531 0.7520142      24.12947 
1 1 1 -26 16 13 o 172.6477 16.00128 900.1888       160.1756 1040.955       188.6698 536.8593       303.1124 185.2260 17.57841 126.1523 37.91569 59.07365       41.79234 
1 1 1 -26 16 14 o 95.92430 25.56508 295.4767       146.4210 415.7090       168.8297 -69.40782      294.1141 113.6709 25.90397 73.82662 33.04235 39.84429       41.98586 
1 1 1 -26 16 15 o 292.6443 12.12405 2550.144       207.6330 2638.971       274.1117 2430.570       318.0345 296.1272 15.84098 282.4038 19.31865 13.72336       24.98293 
1 1 1 -26 16 16 o 258.3630 12.65730 1993.210       191.2044 1743.191       236.8549 2460.965       323.9705 239.8569 16.94668 283.7159 19.59053 -43.85895      25.90326 
1 1 1 -26 16 17 o 297.1961 14.25832 2651.879       247.7955 2931.287       298.8722 2037.441       443.2058 311.3211 16.42730 249.8617 30.90316 61.45935       34.99802 
1 1 1 -26 16 18 o 136.3611 18.86455 576.7968       146.8281 617.7635       175.0183 479.4543       269.7859 139.8705 22.06641 117.8186 35.84805 22.05190       42.09524 
1 1 1 -26 16 19 o 276.5902 11.94004 2288.171       193.2275 2362.957       253.2372 2183.952       298.9457 279.2116 15.52591 266.0572 19.28974 13.15442       24.76182 
1 1 1 -26 16 20 o 112.0715 21.42846 402.9847       135.7119 434.1889       161.5063 328.0218       250.3264 114.9795 24.68844 99.10728 34.79472 15.87222       42.66370 
1 1 1 -26 16 21 o 138.7575 17.83961 600.6407       141.8201 587.7463       171.3242 628.7112       252.7805 134.9954 22.42615 133.5230 32.57426 1.472366       39.54763 
1 1 1 -26 16 22 o 208.8731 12.29260 1316.486       149.9176 1351.317       186.4081 1252.698       252.2596 210.0610 15.23457 197.6626 22.14071 12.39835       26.87570 
1 1 1 -26 16 23 o 171.6123 13.99372 899.8115       139.6204 843.0009       170.5573 1015.220       243.0947 163.9286 18.03823 175.7485 24.22886 -11.81985      30.20621 
1 1 1 -26 16 24 o 190.2602 13.31887 1103.180       147.6774 1050.778       181.8244 1204.749       253.1403 183.4532 17.09642 192.1021 22.92037 -8.648819      28.59424 
1 1 1 -26 16 25 o 89.70893 24.38324 274.2852       131.6168 296.4036       160.9206 229.5890       228.7550 92.06425 27.61629 84.81467 32.63458 7.249580       42.75132 
1 1 1 -26 16 26 o 87.92420 25.03123 266.6212       135.2556 320.0906       173.0583 182.6944       216.8153 94.63240 28.69442 79.02225 31.36739 15.61015       42.51215 
1 1 1 -26 16 27 o 148.3208 16.06537 691.1899       137.5188 622.2718       175.2091 801.7662       221.9326 136.3332 22.71174 152.5755 25.71530 -16.24231      34.30888 
1 1 1 -26 16 28 o 70.66198 24.96499 163.5533       129.0171 94.30637       164.8513 273.0104       207.2592 64.95956 26.77514 86.60286 31.51479 -21.64330      41.35324 
1 1 1 -26 16 29 o 86.60699 23.68700 262.4647       123.7581 190.0955       158.6615 374.9091       197.7715 75.17290 27.53955 98.87157 30.80328 -23.69867      41.31911 
1 1 1 -26 16 30 o 58.77361 23.71861 81.95308       126.0884 112.6510       162.4709 35.46625       199.9339 65.91521 26.80602 62.90448 27.74738 3.010731       38.58082 
1 1 1 -26 16 31 o 45.94135 20.93862 -41.36318      124.5542 -31.84935      169.4501 -52.54498      183.7045 53.88906 24.50708 54.49393 25.05743 -0.6048737     35.04956 
1 1 1 -26 16 32 o 57.96115 24.15113 70.03783       136.1612 6.725105       186.2297 142.7574       199.5855 58.43516 26.21256 70.60947 29.31550 -12.17431      39.32553 
1 1 1 -26 16 33 o 163.1544 15.01089 846.7289       142.0246 896.4692       187.8687 780.3882       216.9650 163.1461 20.05641 145.6583 26.36879 17.48781       33.12963 
1 1 1 -26 16 34 o 110.0242 21.23191 420.3449       132.0392 0.000000       0.000000 420.3449       132.0392 ?        ?        110.0242 21.23191 0.000000       21.23191 
1 1 1 -26 16 35 o 46.75331 21.63070 -55.72312      139.9432 -274.9026      387.1621 -22.78306      150.0912 63.40043 31.03577 50.67682 23.05346 12.72361       38.66111 
1 1 1 -26 16 36 o 109.7319 23.37868 437.7292       145.8457 -9.947186      354.2353 529.1059       160.0396 69.20863 32.77388 120.9256 23.41236 -51.71700      40.27736 
1 1 1 -26 16 37 o 50.83340 23.06146 -13.06455      148.9308 265.2017       374.5197 -65.33260      162.3165 80.80153 36.62266 49.16452 22.93244 31.63701       43.21013 
1 1 1 -26 17 1  o 81.95435 27.22565 200.2865       152.8339 261.3857       168.8456 -76.79855      359.5660 91.54988 28.45206 82.08282 36.65025 9.467056       46.39785 
1 1 1 -26 17 2  o 320.5465 19.75860 3108.813       369.6425 0.000000       0.000000 3108.813       369.6425 ?        ?        320.5465 19.75860 0.000000       19.75860 
1 1 1 -26 17 3  o 305.0048 12.87727 2765.647       229.8279 2550.582       283.6935 3176.328       392.0279 291.5396 16.66148 323.4624 20.77519 -31.92279      26.63106 
1 1 1 -26 17 4  o 143.2971 20.70996 632.5708       169.0047 594.6402       195.0276 746.9355       338.6468 137.3620 25.13507 148.9305 38.49382 -11.56844      45.97332 
1 1 1 -26 17 5  o 514.8773 17.20640 7953.701       518.8405 0.000000       0.000000 7953.701       518.8405 ?        ?        514.8773 17.20640 0.000000       17.20640 
1 1 1 -26 17 6  o 324.6323 12.42894 3130.891       236.1965 2698.294       296.7224 3879.108       390.2317 299.6501 16.95355 358.5861 18.61953 -58.93594      25.18154 
1 1 1 -26 17 7  o 134.7093 20.54086 560.5745       157.1542 566.2538       179.1270 541.5917       327.4865 134.3825 23.58837 127.3054 39.63428 7.077110       46.12252 
1 1 1 -26 17 8  o 202.4625 14.86741 1229.067       175.3038 1321.447       212.3506 1031.385       310.6329 209.1154 17.47438 179.0573 30.68392 30.05820       35.31086 
1 1 1 -26 17 9  o 234.8617 13.79503 1647.519       189.1772 1804.067       232.7053 1342.432       324.8583 244.9406 16.29186 206.3157 27.53477 38.62483       31.99356 
1 1 1 -26 17 10 o 292.6878 12.45743 2548.435       213.3483 2690.449       277.2021 2342.068       334.1571 299.4437 15.84085 277.0880 20.71268 22.35574       26.07581 
1 1 1 -26 17 11 o 194.9312 15.62378 1143.928       177.1207 1350.103       214.5760 703.0594       313.7752 211.2074 17.47931 144.1284 36.95061 67.07899       40.87633 
1 1 1 -26 17 12 o 95.19933 26.69246 290.8732       155.0098 260.1107       181.6177 373.3970       297.4659 91.29704 29.64494 108.8154 37.94912 -17.51832      48.15556 
1 1 1 -26 17 13 o 209.2572 13.88708 1312.059       169.4641 1308.208       203.9985 1320.634       304.4070 207.9012 16.87589 204.7056 25.93699 3.195526       30.94387 
1 1 1 -26 17 14 o 116.1516 23.27235 429.0178       153.0028 412.9891       168.5606 504.0218       364.6271 113.0209 25.97525 122.0860 42.04468 -9.065125      49.42134 
1 1 1 -26 17 15 o 174.6809 15.67572 923.9072       158.8860 897.2984       185.7688 996.4072       306.6405 170.9452 18.84173 173.9803 31.19853 -3.035156      36.44666 
1 1 1 -26 17 16 o 178.3980 17.67116 973.2065       182.4598 1087.465       203.2407 498.6247       414.2104 188.2386 18.65504 121.1666 44.47937 67.07200       48.23302 
1 1 1 -26 17 17 o 197.5443 15.61892 1183.734       179.4816 1344.281       201.1615 557.0228       397.4460 210.2150 16.44748 124.7406 43.83901 85.47447       46.82285 
1 1 1 -26 17 18 o 202.1740 13.43175 1231.569       158.3575 1346.267       197.6272 1025.817       264.6924 210.1875 16.15593 177.9521 26.14090 32.23543       30.73045 
1 1 1 -26 17 19 o 245.0335 12.04909 1801.134       172.6221 1717.273       224.1981 1923.231       270.5251 237.0970 16.22107 249.4078 18.62927 -12.31084      24.70167 
1 1 1 -26 17 20 o 112.6060 20.80305 407.0468       132.3253 508.0775       157.3128 162.6133       244.6908 125.4285 22.19749 81.87636 33.04169 43.55215       39.80555 
1 1 1 -26 17 21 o 59.29816 23.49190 75.37401       121.3854 119.6304       140.6631 -53.70942      240.2301 67.36026 25.67237 65.04781 29.42163 2.312447       39.04745 
1 1 1 -26 17 22 f 209.3152 12.45951 1325.307       152.2589 1295.101       191.5411 1377.156       250.9538 204.8528 16.07158 207.8308 20.87113 -2.978012      26.34197 
1 1 1 -26 17 23 o 246.8180 11.48635 1835.829       165.8123 1751.993       209.7858 1975.385       270.6673 238.8131 15.05509 250.7573 18.53586 -11.94421      23.87957 
1 1 1 -26 17 24 o 162.2825 14.98917 813.7225       141.0479 730.2817       172.1372 984.2125       246.0566 150.7830 19.95520 171.2071 25.26359 -20.42407      32.19409 
1 1 1 -26 17 25 o 46.75942 21.19368 -45.50800      125.4321 3.922938       151.8817 -151.5373      222.4431 55.60948 24.36815 56.11695 26.38953 -0.5074730     35.91955 
1 1 1 -26 17 26 o 194.7130 14.36945 1170.865       162.9352 1240.104       193.1037 999.7319       303.5851 198.6680 16.72869 163.8682 32.73515 34.79985       36.76192 
1 1 1 -26 17 27 o 88.49709 24.56488 274.2407       131.9969 383.2621       168.0313 98.54544       213.3115 102.9699 27.36119 70.08980 29.77240 32.88011       40.43551 
1 1 1 -26 17 28 o 78.03168 24.97340 212.2416       129.1945 135.5694       164.7421 334.7207       208.2172 69.09132 27.36890 93.45373 31.78346 -24.36240      41.94335 
1 1 1 -26 17 29 o 74.65838 25.13869 193.1239       130.2415 39.12369       166.1093 438.8828       209.8399 59.41040 25.76633 105.8503 31.48468 -46.43987      40.68401 
1 1 1 -26 17 30 o 112.7888 20.77295 429.9037       132.3473 548.7961       177.1090 279.5629       199.1601 124.1240 25.19138 85.66827 30.93253 38.45570       39.89269 
1 1 1 -26 17 31 o 166.9939 14.83550 880.7725       143.7853 860.5474       196.5421 904.0611       210.9027 158.9825 21.64053 161.7402 22.87121 -2.757690      31.48658 
1 1 1 -26 17 32 o 148.4043 23.00456 769.7861       193.7455 994.2971       473.5839 724.6574       212.3267 126.3628 47.33944 139.9958 26.83698 -13.63297      54.41733 
1 1 1 -26 17 33 o 146.7443 18.48759 714.2687       155.5842 675.3725       469.3694 719.0701       164.9075 104.7260 44.31019 146.0947 19.75220 -41.36869      48.51332 
1 1 1 -26 17 34 o 68.08061 25.31947 160.5165       134.9836 62.28132       440.8629 170.6783       141.7934 76.60336 36.35931 69.64492 25.94079 6.958443       44.66457 
1 1 1 -26 17 35 o 133.1033 25.94583 663.2065       195.2579 0.000000       0.000000 663.2065       195.2579 ?        ?        133.1033 25.94583 0.000000       25.94583 
1 1 1 -26 17 36 o 47.19392 22.18060 -86.83583      156.7489 -191.6394      422.5279 -70.11035      168.7938 67.09683 32.75433 49.94003 23.32432 17.15680       40.21032 
1 1 1 -26 18 1  o 140.4650 19.66312 605.9371       157.5523 750.5648       178.1390 86.45152       337.6139 156.5279 19.85096 89.04269 37.62262 67.48518       42.53848 
1 1 1 -26 18 2  o 235.1993 13.99961 1651.967       192.2352 1527.714       212.8380 2202.159       447.8712 225.4540 16.20493 264.1571 29.40747 -38.70305      33.57677 
1 1 1 -26 18 3  o 145.8960 19.26677 651.9974       160.8297 583.0416       183.3754 881.8361       334.7859 136.3366 23.79927 162.8433 36.01172 -26.50668      43.16537 
1 1 1 -26 18 4  o 241.3848 24.78808 1805.818       345.9352 0.000000       0.000000 1805.818       345.9352 ?        ?        241.3848 24.78808 0.000000       24.78808 
1 1 1 -26 18 5  o 187.7888 16.81557 1064.858       183.2380 1027.123       204.9513 1215.174       409.0542 183.5610 19.32764 190.6024 37.92788 -7.041382      42.56855 
1 1 1 -26 18 6  o 309.6395 12.58252 2851.396       228.0178 3050.932       295.9628 2559.999       357.6595 319.0042 15.86923 289.6393 21.20220 29.36496       26.48331 
1 1 1 -26 18 7  o 138.5587 20.34112 592.7612       160.3764 504.9279       184.2973 866.7637       325.5117 125.8360 25.83842 161.3716 35.37246 -35.53562      43.80450 
1 1 1 -26 18 8  o 35.84687 17.70943 -294.3724      135.8296 -274.0139      149.5494 -390.3040      324.6336 39.57095 19.35345 63.60232 30.46664 -24.03137      36.09393 
1 1 1 -26 18 9  o 227.9978 14.46645 1557.143       192.4411 1862.562       233.6596 913.1384       339.2965 248.8319 16.09770 165.0625 36.06039 83.76942       39.49035 
1 1 1 -26 18 10 o 42.64806 20.36292 -179.4650      142.5058 -198.2160      158.9821 -102.8067      321.4522 45.04873 21.50882 75.46542 34.09324 -30.41669      40.31102 
1 1 1 -26 18 11 o 97.25410 26.65154 304.9579       156.4966 396.3618       182.2166 47.99326       305.5218 110.3263 28.09145 82.30133 35.31260 28.02496       45.12327 
1 1 1 -26 18 12 o 273.8214 12.94353 2238.319       207.2715 2188.091       264.5957 2318.093       333.4598 269.0771 16.85161 274.8619 20.84143 -5.784790      26.80190 
1 1 1 -26 18 13 o 99.09716 25.21354 317.4014       146.8699 220.6344       169.7432 605.6289       292.9520 84.95805 28.69891 132.7620 36.49717 -47.80398      46.42920 
1 1 1 -26 18 14 f 49.73826 22.38725 -54.21614      137.1333 -70.80506      156.0491 2.036452       287.3582 52.17569 23.64485 76.58616 33.54033 -24.41047      41.03696 
1 1 1 -26 18 15 o 105.9684 24.19467 363.0815       147.0488 413.8451       170.3398 214.5914       291.3320 112.5175 26.28962 92.22314 36.43859 20.29439       44.93233 
1 1 1 -26 18 16 o 119.1938 20.14634 447.2443       135.8182 369.0804       156.6965 683.3350       272.3302 106.1327 25.49454 140.9920 33.44305 -34.85935      42.05246 
1 1 1 -26 18 17 o 212.4002 14.22022 1364.021       176.1175 1450.516       199.4019 1057.191       375.5627 218.3616 15.67478 171.5420 38.30030 46.81961       41.38372 
1 1 1 -26 18 18 o 261.2456 13.45156 2058.749       205.4033 1999.675       236.9882 2237.122       411.8046 256.0773 15.85773 261.5426 27.24615 -5.465332      31.52492 
1 1 1 -26 18 19 o 86.81202 23.89906 249.0068       125.5137 166.8008       145.7084 485.4489       247.1129 74.39700 26.50636 116.2808 34.05792 -41.88375      43.15702 
1 1 1 -26 18 20 o 231.5699 12.53764 1619.016       169.6390 1665.484       219.9120 1550.735       266.5783 232.6593 16.21832 221.1781 20.79492 11.48114       26.37163 
1 1 1 -26 18 21 o 97.16540 22.52779 312.6232       125.8717 269.4858       148.7208 421.5549       236.3314 89.05599 26.50986 107.5261 33.69860 -18.47014      42.87620 
1 1 1 -26 18 22 o 113.1880 20.74372 416.6357       132.6281 323.1411       158.8013 632.2449       241.1541 96.62697 26.98951 132.5590 31.48899 -35.93202      41.47276 
1 1 1 -26 18 23 o 45.13319 20.78480 -72.16364      127.0728 -31.50310      150.9252 -171.1796      235.5200 52.72820 23.62928 57.25082 26.99409 -4.522617      35.87511 
1 1 1 -26 18 24 o 68.68647 24.71641 144.8474       127.0279 128.7480       151.4446 183.0539       233.3016 68.50510 26.50172 80.30049 32.31364 -11.79539      41.79130 
1 1 1 -26 18 25 o 75.79250 25.30554 192.6282       132.0034 235.0072       165.5698 118.6979       218.6842 82.47600 28.33469 72.99692 30.52573 9.479080       41.64943 
1 1 1 -26 18 26 o 134.3189 17.47547 576.6702       134.4020 621.3394       169.4123 500.8099       220.7742 136.4647 21.90897 114.5961 31.75403 21.86867       38.57877 
1 1 1 -26 18 27 o 73.76969 24.49962 185.4183       123.7626 107.7130       150.6350 346.8327       217.1059 64.82949 26.00764 94.78112 32.44991 -29.95163      41.58598 
1 1 1 -26 18 28 o 106.1182 22.05733 384.5863       132.7906 363.3345       170.3809 417.4691       211.9368 98.93945 28.06978 103.1255 31.84781 -4.186058      42.45227 
1 1 1 -26 18 29 o 103.8963 22.94367 375.5485       136.0623 377.6334       178.1440 372.6294       210.7924 99.78020 28.82894 96.80770 31.96716 2.972504       43.04657 
1 1 1 -26 18 30 o 45.88895 20.88746 -38.63552      123.4356 -153.8547      160.7721 126.8030       192.6489 45.10281 21.56056 69.03665 28.74355 -23.93384      35.93118 
1 1 1 -26 18 31 o 104.3197 26.30063 404.9557       160.8439 0.000000       0.000000 404.9557       160.8439 ?        ?        104.3197 26.30063 0.000000       26.30063 
1 1 1 -26 18 32 o 106.7475 23.99851 411.2430       146.5807 1396.124       448.9577 293.7318       155.0790 162.6736 45.35976 87.49554 27.27942 75.17808       52.93085 
1 1 1 -26 18 33 o 116.2449 23.68907 486.0530       156.0130 4.793483       443.1397 554.1440       166.6847 75.27839 35.93324 124.2855 23.73312 -49.00713      43.06343 
1 1 1 -26 18 34 o 101.8494 24.42864 384.2019       144.0377 -263.3904      388.7402 487.2570       155.0756 63.70407 31.16636 115.9633 23.60550 -52.25919      39.09683 
1 1 1 -26 18 35 o 145.8424 19.23035 720.5231       160.4790 55.65684       399.2953 848.6069       175.2565 73.73686 34.88191 158.3380 19.26919 -84.60112      39.85033 
1 1 1 -26 18 36 o 48.46994 22.48851 -54.20047      152.8773 -723.7753      431.5574 41.88180       163.4785 56.31878 28.37245 56.87017 25.08785 -0.5513840     37.87342 
1 1 1 -26 19 1  o 108.8898 23.47081 375.6346       145.4669 493.8812       160.7338 -159.6190      341.9738 125.5118 22.67004 75.45912 34.50729 50.05270       41.28782 
1 1 1 -26 19 2  o 279.3855 12.52001 2322.267       204.6230 2338.139       250.2675 2290.259       355.3948 279.3433 15.33504 273.2083 22.37613 6.135010       27.12664 
1 1 1 -26 19 3  f 251.4694 12.93815 1884.282       190.1714 1784.738       222.4297 2154.760       366.6506 243.8257 15.63717 264.0760 23.93370 -20.25032      28.58921 
1 1 1 -26 19 4  o 250.1996 12.70201 1864.524       185.7745 1661.212       214.8179 2467.620       369.9827 235.1703 15.66465 283.5207 22.43354 -48.35043      27.36138 
1 1 1 -26 19 5  o 445.1552 27.68918 6200.145       719.3107 0.000000       0.000000 6200.145       719.3107 ?        ?        445.1552 27.68918 0.000000       27.68918 
1 1 1 -26 19 6  o 171.7556 16.63424 892.9306       165.4626 776.4246       189.1678 1272.358       341.3795 158.6299 20.83680 199.0486 30.18948 -40.41866      36.68210 
1 1 1 -26 19 7  o 143.2632 19.49883 631.7678       159.5820 544.8052       181.4079 929.3348       335.5695 131.1130 24.49215 166.7127 35.41540 -35.59972      43.05945 
1 1 1 -26 19 8  o 425.7798 12.51159 5394.594       312.0878 5523.308       442.2069 5266.862       440.5156 427.7636 17.66472 417.4468 18.03580 10.31680       25.24545 
1 1 1 -26 19 9  o 205.3760 16.25311 1274.195       194.1708 1378.311       229.0789 1008.512       365.9379 212.7314 18.54652 172.2031 37.31390 40.52827       41.66894 
1 1 1 -26 19 10 o 246.4570 26.11253 1913.558       371.6986 0.000000       0.000000 1913.558       371.6986 ?        ?        246.4570 26.11253 0.000000       26.11253 
1 1 1 -26 19 11 o 237.6319 14.12016 1694.251       195.8991 1859.133       239.6344 1362.062       340.1379 247.9232 16.57616 205.5930 29.01531 42.33018       33.41642 
1 1 1 -26 19 12 o 62.00575 25.93339 39.44117       157.8709 34.60743       181.7975 54.26472       318.3628 65.20405 27.58185 83.33652 35.90547 -18.13248      45.27650 
1 1 1 -26 19 13 o 141.9488 18.94603 623.4338       153.7901 646.5112       179.5498 559.8694       297.9881 143.3206 22.06831 126.6986 37.47755 16.62196       43.49227 
1 1 1 -26 19 14 o 140.3750 18.45411 609.8004       148.2505 598.7274       170.2356 644.5569       301.6043 137.7002 21.80524 135.2618 36.97130 2.438416       42.92256 
1 1 1 -26 19 15 o 42.29265 20.05098 -145.0697      133.3285 -97.86206      152.7040 -296.4915      273.4884 49.29942 22.73272 58.91401 28.15125 -9.614597      36.18383 
1 1 1 -26 19 16 o 188.9812 13.77076 1079.916       151.5781 1035.016       179.3604 1192.120       283.5340 183.6275 16.84216 191.7135 25.87770 -8.086014      30.87578 
1 1 1 -26 19 17 o 200.4548 14.75966 1222.345       172.3009 1279.489       196.9439 1035.905       355.7342 204.1563 16.59151 169.5008 36.83934 34.65547       40.40316 
1 1 1 -26 19 18 o 230.4865 11.86285 1597.087       159.8165 1446.973       197.3110 1883.420       272.5068 217.4266 15.57668 245.7213 19.05857 -28.29462      24.61427 
1 1 1 -26 19 19 o 173.6953 14.02370 920.0422       141.6433 903.4674       169.6725 958.1512       257.2773 170.4901 17.20431 169.2381 26.81381 1.252014       31.85858 
1 1 1 -26 19 20 o 101.0801 21.73792 335.6316       125.0342 427.2826       146.3481 87.91761       240.5990 113.8740 22.71040 74.27720 31.58781 39.59676       38.90439 
1 1 1 -26 19 21 o 109.3214 19.93543 386.5825       123.1069 298.1904       144.1954 624.2289       236.4341 93.38024 25.57971 131.9885 31.06403 -38.60828      40.24047 
1 1 1 -26 19 22 o 116.8213 33.09319 508.0991       237.0010 0.000000       0.000000 508.0991       237.0010 ?        ?        116.8213 33.09319 0.000000       33.09319 
1 1 1 -26 19 23 f 55.19401 23.17796 39.86584       126.8871 109.3368       151.4223 -123.9363      232.5134 66.21811 26.23648 58.93529 27.47561 7.282818       37.99029 
1 1 1 -26 19 24 o 48.86266 21.74059 -19.14789      125.3726 -46.78115      152.8903 37.57641       219.0526 51.49906 23.36446 66.73394 29.25320 -15.23488      37.43859 
1 1 1 -26 19 25 o 55.31623 23.29540 43.06602       128.7505 -50.31196      158.2045 226.2065       221.5587 51.84583 23.61751 82.39428 32.00521 -30.54845      39.77588 
1 1 1 -26 19 26 o 45.90836 20.98163 -51.66450      126.1896 -120.9565      154.5174 87.09562       218.6594 46.43518 21.88533 69.37525 29.82186 -22.94007      36.99069 
1 1 1 -26 19 27 o 143.5766 16.44989 655.9961       136.0170 599.0939       177.2974 737.3896       212.0474 131.7891 23.81518 144.5505 25.96720 -12.76135      35.23434 
1 1 1 -26 19 28 o 151.1699 16.10079 726.8289       140.5517 633.0877       186.8731 848.9274       213.2733 134.3818 24.61827 156.6089 23.98278 -22.22717      34.36907 
1 1 1 -26 19 29 f 78.65540 26.19505 223.8297       141.4628 292.5121       194.7850 147.1707       205.7851 86.90682 30.67769 71.88863 29.79996 15.01819       42.76866 
1 1 1 -26 19 30 o 102.2573 25.61971 384.1653       153.3112 362.7606       523.9507 386.1696       160.3282 92.07990 42.33198 101.7194 26.58444 -9.639549      49.98729 
1 1 1 -26 19 31 o 84.84985 25.26608 267.0663       135.0755 936.5317       485.3382 210.8573       140.6318 120.4155 47.19741 75.88278 26.11214 44.53268       53.93922 
1 1 1 -26 19 32 o 95.98441 25.11986 342.1963       143.0211 986.1536       436.8697 264.8949       151.3621 128.1982 45.87215 83.19312 27.06691 45.00513       53.26229 
1 1 1 -26 19 33 o 87.68793 26.52499 296.9465       148.0032 565.4924       380.8764 249.1843       160.6264 100.1191 40.91942 79.99086 27.88701 20.12827       49.51852 
1 1 1 -26 19 34 o 61.80043 24.67310 114.5146       134.9038 604.0030       358.8136 33.93244       145.5852 103.2636 40.54972 54.52353 23.87590 48.74008       47.05676 
1 1 1 -26 19 35 o 55.49680 24.09460 47.07975       145.5711 548.3510       440.5971 -14.34459      154.2324 94.49981 41.45430 51.55350 23.41976 42.94631       47.61244 
1 1 1 -26 20 1  f 229.1289 14.18884 1572.226       189.7323 1754.894       223.0365 1093.885       360.9226 241.5175 15.83355 181.2794 35.21751 60.23810       38.61314 
1 1 1 -26 20 2  o 176.3439 16.84892 942.3853       172.1378 835.7617       195.6843 1307.176       361.9519 164.6050 20.72908 200.5983 31.82771 -35.99333      37.98287 
1 1 1 -26 20 3  o 214.0008 14.37783 1373.275       179.4038 1268.284       206.6134 1695.003       361.6811 204.5729 17.38560 231.7343 27.12512 -27.16147      32.21848 
1 1 1 -26 20 4  o 337.2059 20.28809 3468.346       399.3681 0.000000       0.000000 3468.346       399.3681 ?        ?        337.2059 20.28809 0.000000       20.28809 
1 1 1 -26 20 5  o 170.1957 35.37370 971.9016       341.5476 0.000000       0.000000 971.9016       341.5476 ?        ?        170.1957 35.37370 0.000000       35.37370 
1 1 1 -26 20 6  o 249.7879 13.16077 1863.976       192.1180 1667.699       226.0067 2375.241       364.7614 234.9856 16.50443 277.2918 22.62610 -42.30623      28.00601 
1 1 1 -26 20 7  o 226.2856 13.75312 1533.887       181.6574 1662.146       211.5040 1173.202       354.6815 234.9572 15.43444 188.3155 33.33420 46.64172       36.73406 
1 1 1 -26 20 8  o 149.7594 19.59025 692.4814       167.9407 746.6155       191.4135 511.4745       350.0134 154.7533 21.68456 122.4274 41.21067 32.32590       46.56758 
1 1 1 -26 20 9  o 109.6087 25.40644 388.6972       160.1281 292.4684       180.4559 745.0867       347.2811 95.15413 29.38769 145.5040 39.63185 -50.34990      49.33883 
1 1 1 -26 20 10 o 128.3719 23.79967 525.5240       172.5846 561.8975       196.9729 405.3183       358.0774 131.7243 26.41718 112.3478 41.33663 19.37649       49.05695 
1 1 1 -26 20 11 o 114.8491 23.18456 422.1100       150.7749 497.4767       172.6410 179.8368       309.5329 124.3694 24.54087 90.94374 36.99403 33.42565       44.39383 
1 1 1 -26 20 12 o 131.1201 20.99083 541.1026       155.9742 607.8809       182.7618 362.0649       299.2542 138.0673 23.40582 105.5519 37.94214 32.51540       44.58069 
1 1 1 -26 20 13 o 38.25721 18.60470 -217.5025      132.7361 -149.8437      149.8381 -464.1761      286.1025 45.46431 21.46538 54.81491 26.80040 -9.350601      34.33692 
1 1 1 -26 20 14 o 218.6901 13.33574 1440.932       170.2265 1580.872       206.1909 1141.394       301.6654 228.0447 15.50925 185.8815 28.58620 42.16325       32.52242 
1 1 1 -26 20 15 o 159.1544 16.14178 777.5248       148.5864 986.2366       177.0828 281.0044       273.1314 178.9634 17.07869 95.06104 35.87837 83.90234       39.73587 
1 1 1 -26 20 16 o 49.74084 21.62542 -3.730685      117.6001 0.4422682      132.3272 -19.41006      256.5026 52.96155 22.98330 69.64040 31.03407 -16.67884      38.61795 
1 1 1 -26 20 17 o 105.2345 23.92278 367.2495       144.2894 333.6579       159.3291 520.4056       340.2094 99.12502 26.77923 116.8107 40.59354 -17.68570      48.63088 
1 1 1 -26 20 18 o 248.2973 12.90239 1865.333       187.2407 1881.993       215.0841 1813.191       380.5037 248.1788 14.84508 231.5334 28.63115 16.64540       32.25088 
1 1 1 -26 20 19 o 72.48168 25.18192 164.4766       130.9171 9.373100       154.0728 567.3112       248.3011 56.98859 24.76485 124.4403 33.34860 -67.45167      41.53826 
1 1 1 -26 20 20 o 98.03189 21.41186 316.8034       119.6496 381.3937       136.5357 103.0534       248.3795 107.2813 22.42380 75.65489 32.13108 31.62642       39.18204 
1 1 1 -26 20 21 o 185.3797 13.57927 1050.689       146.6107 1074.489       183.4880 1008.665       243.8213 185.3238 17.07388 173.9387 24.58618 11.38509       29.93322 
1 1 1 -26 20 22 o 59.72965 23.93962 78.28689       127.5089 -67.34532      153.5184 402.2224       228.9607 50.32990 23.05504 103.5451 33.25648 -53.21521      40.46639 
1 1 1 -26 20 23 o 46.01438 20.77631 -37.90564      119.1790 36.21513       141.3614 -220.0669      221.6098 56.77419 24.18071 52.56374 25.17718 4.210449       34.90841 
1 1 1 -26 20 24 o 67.38790 25.04459 138.0048       132.0257 201.3430       166.9401 32.23608       215.7277 77.58085 28.27596 65.46634 28.85218 12.11451       40.39775 
1 1 1 -26 20 25 o 78.62563 25.61008 215.4289       135.4866 236.7928       172.8714 181.4096       218.1446 81.79205 28.89804 77.38525 31.20905 4.406799       42.53353 
1 1 1 -26 20 26 o 155.8306 15.67421 766.0062       141.3044 865.2894       182.1614 616.0060       223.9052 162.7296 19.47325 127.8474 30.32365 34.88219       36.03791 
1 1 1 -26 20 27 o 47.55992 21.31605 -20.89048      122.8661 141.7098       153.3676 -312.2228      205.2897 68.45683 26.61794 45.69754 22.41726 22.75928       34.80012 
1 1 1 -26 20 28 o 43.30608 20.36147 -98.43671      132.3227 0.000000       0.000000 -98.43671      132.3227 ?        ?        43.30608 20.36147 0.000000       20.36147 
1 1 1 -26 20 29 o 56.14801 23.95648 48.46844       139.1869 -287.8910      532.6683 73.11751       144.1967 73.82652 36.19432 59.25706 24.78437 14.56945       43.86678 
1 1 1 -26 20 30 o 57.72731 24.30713 65.99725       140.1433 -269.8004      493.1251 95.50136       146.1704 71.30485 34.93045 61.47683 25.26270 9.828014       43.10847 
1 1 1 -26 20 31 o 93.61221 24.59624 322.5702       136.7673 286.7203       463.6444 325.9870       143.1365 86.45068 39.77225 93.45283 25.43919 -7.002151      47.21212 
1 1 1 -26 20 32 o 50.75933 23.77513 -83.20355      177.4813 0.000000       0.000000 -83.20355      177.4813 ?        ?        50.75933 23.77513 0.000000       23.77513 
1 1 1 -26 20 33 o 58.05872 24.54793 72.63294       143.8926 419.5175       391.9089 18.58516       154.6969 90.17276 39.33668 54.41982 24.18515 35.75294       46.17678 
1 1 1 -26 20 34 o 84.48779 25.55629 273.8896       137.3917 488.4875       403.1841 245.6962       146.1383 93.03160 40.24569 79.55238 26.62714 13.47923       48.25682 
1 1 1 -26 21 1  o 76.84277 27.43155 166.8741       156.1327 233.1987       173.2483 -119.9216      360.2613 86.93869 28.98982 78.64465 35.75290 8.294044       46.02911 
1 1 1 -26 21 2  o 157.1406 19.01151 759.1060       171.6507 810.6194       194.1322 574.5356       367.4670 161.6784 20.96696 128.5389 42.19570 33.13953       47.11784 
1 1 1 -26 21 3  o 259.7617 14.03785 2022.384       213.0638 1877.862       241.0622 2538.376       455.4958 249.2131 16.58773 282.6203 27.84204 -33.40720      32.40882 
1 1 1 -26 21 4  o 193.0611 15.36107 1125.093       172.4938 1126.200       196.4507 1121.365       360.4383 192.3038 17.61410 182.6615 34.91836 9.642319       39.10944 
1 1 1 -26 21 5  o 136.2361 20.48823 578.1125       158.6356 468.6680       177.3961 1015.002       354.4320 120.4046 25.89163 172.6224 36.16908 -52.21783      44.48122 
1 1 1 -26 21 6  o 279.8349 13.01874 2341.153       213.0734 2308.621       257.1477 2412.419       380.5995 276.5736 15.92064 278.1573 23.55183 -1.583710      28.42808 
1 1 1 -26 21 7  o 109.4070 24.06655 385.1822       150.2175 393.7560       168.5847 352.1411       330.9460 109.8490 26.48007 106.6967 39.65219 3.152267       47.68113 
1 1 1 -26 21 8  o 158.5466 18.16516 772.4335       165.8603 822.7228       190.4122 614.2742       337.6789 162.7523 20.39544 131.5292 40.12307 31.22304       45.00927 
1 1 1 -26 21 9  o 49.95826 22.44859 -50.31113      137.2375 44.98900       151.8814 -474.2508      320.3391 61.41418 25.54186 59.30962 28.85616 2.104561       38.53654 
1 1 1 -26 21 10 o 162.3467 17.79287 810.6589       166.6384 901.8956       192.8124 541.3755       331.2492 170.4974 19.64114 123.2046 40.03810 47.29282       44.59623 
1 1 1 -26 21 11 o 46.25627 21.18246 -74.74148      129.4595 -132.0847      144.5724 157.3194       290.8340 45.45036 21.34240 86.67892 35.62851 -41.22856      41.53178 
1 1 1 -26 21 12 o 77.68555 25.63101 189.3719       135.5217 199.1343       154.8851 157.4865       279.9143 80.09372 27.40869 85.35602 35.00457 -5.262299      44.45848 
1 1 1 -26 21 13 o 159.9474 16.39316 786.0699       151.6032 666.3169       178.5070 1095.976       287.1621 144.6826 21.70616 182.1791 27.75226 -37.49643      35.23273 
1 1 1 -26 21 14 o 85.31932 24.89899 239.9301       132.2849 223.9305       152.1819 289.3964       267.5866 83.05029 27.14813 95.12733 35.59515 -12.07704      44.76645 
1 1 1 -26 21 15 f 194.5130 13.57651 1147.609       153.9049 1397.266       184.8839 584.1628       277.7493 214.0545 14.81881 126.0968 35.86049 87.95769       38.80170 
1 1 1 -26 21 16 o 174.1696 15.36005 931.6710       155.2912 961.0940       191.2276 874.6912       266.1135 174.9157 18.94307 159.6432 29.50945 15.27243       35.06633 
1 1 1 -26 21 17 o 185.5634 13.46912 1047.559       145.5847 928.9678       173.0277 1335.025       269.3916 172.6664 17.32030 202.9791 23.03683 -30.31267      28.82166 
1 1 1 -26 21 18 o 304.1366 11.34373 2782.076       201.9824 2680.620       269.2988 2912.544       305.3848 295.2581 15.60729 306.4261 17.06039 -11.16803      23.12238 
1 1 1 -26 21 19 o 43.85135 20.15827 -67.14032      118.7800 -94.82696      134.0305 34.17604       256.3942 44.97808 20.93241 71.49622 31.48411 -26.51814      37.80761 
1 1 1 -26 21 20 f 58.23545 23.55763 67.86251       124.7144 147.8474       147.6295 -131.4813      233.0614 70.79900 26.44970 58.82462 27.45186 11.97438       38.12075 
1 1 1 -26 21 21 o 48.73293 21.55604 -14.06845      121.4690 -1.467589      145.2821 -43.33745      221.4195 54.06680 23.75813 61.94680 28.10955 -7.880001      36.80483 
1 1 1 -26 21 22 o 239.3939 11.54668 1736.295       161.6360 1743.465       212.4594 1726.441       249.0527 236.9900 15.36894 233.1085 18.36549 3.881500       23.94777 
1 1 1 -26 21 23 o 234.0842 12.14667 1670.075       166.1850 1770.811       228.7223 1557.425       241.8706 237.2918 16.53873 220.2185 18.91037 17.07333       25.12233 
1 1 1 -26 21 24 o 196.3188 12.67995 1182.106       145.2114 1156.552       190.5325 1217.518       224.2929 190.7140 17.22008 193.0643 20.10312 -2.350296      26.47011 
1 1 1 -26 21 25 o 40.13111 19.27017 -154.5310      131.6418 79.70846       166.9406 -539.6765      214.0643 63.40555 26.60338 40.51487 20.35374 22.89069       33.49649 
1 1 1 -26 21 26 o 103.6776 32.83373 432.5327       223.8018 0.000000       0.000000 432.5327       223.8018 ?        ?        103.6776 32.83373 0.000000       32.83373 
1 1 1 -26 21 27 o 61.96888 25.22189 95.43226       143.9759 -805.0480      512.5068 172.5860       150.0172 63.61330 31.89285 71.71147 26.68789 -8.098175      41.58602 
1 1 1 -26 21 28 o 102.0337 23.03351 367.1105       134.5559 -876.2859      512.6919 459.0912       139.4440 61.96865 31.18054 115.8100 21.31590 -53.84134      37.77027 
1 1 1 -26 21 29 o 55.90121 24.12635 41.95670       144.2224 -174.6815      481.9184 63.26764       151.1497 73.19401 35.56146 58.75728 25.01387 14.43673       43.47771 
1 1 1 -26 21 30 o 98.34786 25.24451 358.3466       146.3339 -150.8829      533.6561 399.7493       152.1665 75.50778 36.84942 104.1095 25.19614 -28.60170      44.63995 
1 1 1 -26 21 31 o 60.08341 25.79657 69.63803       163.2443 1083.035       447.7247 -85.73792      175.3127 132.9080 46.54314 50.37691 23.60675 82.53107       52.18757 
1 1 1 -26 21 32 o 51.57409 24.16521 -80.36140      183.6240 0.000000       0.000000 -80.36140      183.6240 ?        ?        51.57409 24.16521 0.000000       24.16521 
1 1 1 -26 21 33 o 64.34008 25.60684 130.6225       144.8596 1317.110       416.9259 -32.27430      154.4840 156.4791 43.74078 50.46713 23.12147 106.0119       49.47584 
1 1 1 -26 21 34 o 56.83492 24.47406 60.65185       147.7616 -63.92158      490.8926 73.06330       154.9477 72.69670 35.44779 58.71250 25.16885 13.98420       43.47432 
1 1 1 -26 22 1  o 46.25451 21.40707 -99.84144      137.2339 -24.06177      149.0296 -522.4973      351.9570 54.50476 24.00252 61.95057 30.16487 -7.445812      38.54919 
1 1 1 -26 22 2  o 176.2793 16.58346 946.2407       169.4319 861.4702       192.2491 1241.122       358.5630 166.7089 20.06623 192.7760 32.89425 -26.06705      38.53161 
1 1 1 -26 22 3  f 275.1497 13.71363 2271.695       220.5978 2084.341       248.4997 2968.269       479.1578 262.3347 16.23124 305.0672 27.06183 -42.73251      31.55623 
1 1 1 -26 22 4  o 137.4283 19.98748 589.0230       156.3777 495.8305       174.3634 972.1262       353.5270 123.9272 24.85605 167.1446 37.03910 -43.21737      44.60625 
1 1 1 -26 22 5  o 282.8220 12.44307 2391.835       205.8861 2330.974       247.8685 2527.263       369.7468 277.8397 15.27038 284.7747 22.31687 -6.935028      27.04121 
1 1 1 -26 22 6  o 157.3499 17.37499 760.0363       157.6728 724.9906       178.0621 887.3129       339.3346 152.3575 20.44312 158.9476 37.08355 -6.590103      42.34514 
1 1 1 -26 22 7  o 55.49634 23.89308 5.742469       140.7778 112.4224       154.4937 -516.2977      341.7600 69.09087 26.75662 60.50173 29.51802 8.589138       39.84006 
1 1 1 -26 22 8  o 83.21561 25.66991 222.8737       137.7344 217.3608       152.1890 247.8298       323.8039 82.80835 27.15347 96.05437 38.26624 -13.24603      46.92139 
1 1 1 -26 22 9  o 61.78552 24.98392 68.11847       140.2113 152.6772       154.3617 -330.6885      335.2292 73.83365 27.14475 65.39440 31.22573 8.439247       41.37492 
1 1 1 -26 22 10 o 265.9860 12.54619 2124.297       195.1620 2242.866       242.0868 1904.190       329.8383 271.8255 15.24665 244.9637 23.23663 26.86183       27.79211 
1 1 1 -26 22 11 o 210.4612 13.87357 1340.446       170.2871 1462.700       207.5106 1088.358       297.9777 218.6218 16.30174 180.3628 29.16485 38.25894       33.41160 
1 1 1 -26 22 12 o 83.71650 25.70527 230.2359       138.3091 322.2652       158.6865 -60.65384      282.1247 97.81614 26.85011 70.29465 31.83064 27.52149       41.64274 
1 1 1 -26 22 13 o 131.4295 19.28817 546.0103       144.2524 603.7121       166.0086 368.1310       291.4732 137.2805 21.30975 102.7758 37.37694 34.50470       43.02489 
1 1 1 -26 22 14 o 49.79790 22.08641 -23.45236      128.3626 -84.86711      145.8809 187.1788       270.1614 48.32802 22.26109 85.22729 34.60097 -36.89927      41.14345 
1 1 1 -26 22 15 f 151.9934 15.22281 711.2734       133.8727 688.5371       154.4408 779.9875       268.4875 148.0661 18.16523 148.4615 31.79433 -0.3954315     36.61769 
1 1 1 -26 22 16 o 85.61849 24.76303 246.5550       131.3749 245.0704       153.8426 250.5536       252.4772 85.22021 27.24939 88.96719 34.27124 -3.746986      43.78410 
1 1 1 -26 22 17 o 105.6563 21.66293 367.2441       129.7235 259.2199       150.2710 683.2156       257.0033 87.10352 26.80267 137.1603 32.45802 -50.05682      42.09402 
1 1 1 -26 22 18 o 157.4592 16.79258 775.3352       152.6827 718.2445       186.2893 892.1655       266.4915 148.2494 22.10046 159.5218 29.57348 -11.27242      36.91912 
1 1 1 -26 22 19 o 173.0979 14.88341 925.2361       149.6277 846.4745       183.2608 1082.733       259.1484 162.5725 19.61693 179.3921 25.33625 -16.81963      32.04293 
1 1 1 -26 22 20 o 174.8524 14.00375 940.7749       142.4045 1078.256       177.0894 689.1892       239.5601 185.6620 16.43321 137.9733 30.42460 47.68872       34.57899 
1 1 1 -26 22 21 o 42.61769 19.82978 -82.82242      120.1839 45.74643       145.4997 -358.9258      213.2211 58.22112 24.65378 45.95280 22.60309 12.26831       33.44710 
1 1 1 -26 22 22 o 41.03519 19.43342 -117.7262      124.5818 -164.9319      151.4887 -19.09371      218.9743 43.57395 20.85647 62.29130 28.14045 -18.71735      35.02681 
1 1 1 -26 22 23 o 42.98104 19.85740 -66.73708      117.3293 48.03042       140.6737 -329.0526      212.6745 57.31039 24.25357 46.53496 22.82578 10.77543       33.30543 
1 1 1 -26 22 24 o 86.43398 24.40524 263.8192       129.1108 140.0738       162.6273 474.7806       212.3392 69.27780 27.27037 110.7743 31.30498 -41.49645      41.51716 
1 1 1 -26 22 25 o 75.28126 24.28486 197.5961       121.9995 0.000000       0.000000 197.5961       121.9995 ?        ?        75.28126 24.28486 0.000000       24.28486 
1 1 1 -26 22 26 o 55.81302 23.96162 39.86033       140.8304 0.000000       0.000000 39.86033       140.8304 ?        ?        55.81302 23.96162 0.000000       23.96162 
1 1 1 -26 22 27 o 68.03725 25.41364 151.8633       136.2788 0.000000       0.000000 151.8633       136.2788 ?        ?        68.03725 25.41364 0.000000       25.41364 
1 1 1 -26 22 28 o 127.3052 21.34905 556.2457       153.7575 0.000000       0.000000 556.2457       153.7575 ?        ?        127.3052 21.34905 0.000000       21.34905 
1 1 1 -26 22 29 o 72.99016 26.84560 190.3417       151.0033 179.6425       545.8043 191.2285       157.1368 84.62289 40.24887 73.22160 27.30135 11.40128       48.63471 
1 1 1 -26 22 30 o 61.69165 25.25744 102.0999       145.4241 44.60812       466.5019 108.2882       153.0507 77.34080 36.90405 62.99199 25.86409 14.34881       45.06506 
1 1 1 -26 22 31 o 49.18515 23.10024 -88.81700      169.4974 527.1661       464.3625 -183.5014      182.0589 94.68104 41.99980 46.22861 22.31491 48.45242       47.55984 
1 1 1 -26 22 32 o 55.35959 23.94613 46.73894       142.7060 -184.2195      451.2163 72.40852       150.4275 69.14393 33.77409 58.64997 24.96062 10.49396       41.99669 
1 1 1 -26 22 33 o 58.65668 24.62707 82.88223       143.2042 -520.6244      455.6023 149.0427       150.8496 61.49274 30.71637 66.46700 26.23337 -4.974258      40.39412 
1 1 1 -26 23 1  o 114.8605 20.86766 419.0199       135.3946 457.7234       147.5542 212.8017       340.5962 119.7778 21.80830 94.43726 38.65764 25.34051       44.38485 
1 1 1 -26 23 2  o 60.18643 24.70997 53.99085       139.6807 16.21095       153.4328 236.8546       337.5605 58.55264 25.07176 95.95541 38.77822 -37.40277      46.17731 
1 1 1 -26 23 3  o 338.1866 13.17310 3434.390       260.7735 3238.135       301.8105 4012.464       517.9834 326.6910 15.79924 355.0259 25.03800 -28.33496      29.60604 
1 1 1 -26 23 4  o 188.8962 15.05094 1083.740       165.3612 923.8896       188.2215 1624.504       346.1919 172.5967 18.90343 223.7754 26.91865 -51.17865      32.89306 
1 1 1 -26 23 5  o 252.4741 12.86311 1915.319       189.8365 1918.021       227.8836 1909.190       343.1542 251.2740 15.53979 244.7888 24.21985 6.485229       28.77649 
1 1 1 -26 23 6  o 100.7872 25.52014 336.1427       150.9749 324.0160       164.0428 403.2875       386.0034 98.47195 27.40418 109.9876 42.37365 -11.51568      50.46301 
1 1 1 -26 23 7  o 189.1596 14.79580 1087.573       162.8360 1143.165       187.1480 914.3355       330.3702 193.0497 16.69359 160.2398 36.03154 32.80989       39.71081 
1 1 1 -26 23 8  o 146.0394 17.26119 660.3425       144.9858 723.9930       164.2915 436.2534       308.2652 152.2800 18.79431 110.6778 38.62965 41.60220       42.95900 
1 1 1 -26 23 9  o 48.47609 21.63341 -33.39410      125.1059 -46.98597      135.5942 44.40709       324.4103 49.41372 22.24948 80.73811 35.48926 -31.32439      41.88707 
1 1 1 -26 23 10 o 109.4079 21.45506 386.9709       132.7450 416.4341       148.9823 273.4768       292.4026 112.7367 23.30352 94.43050 36.74327 18.30624       43.51002 
1 1 1 -26 23 11 o 159.1134 16.09428 780.6909       148.1230 801.3633       172.6504 723.0430       288.3135 159.8541 18.77330 141.0700 35.01313 18.78410       39.72853 
1 1 1 -26 23 12 o 293.5226 11.87026 2590.945       203.9179 2778.132       263.0009 2308.793       322.8945 301.8130 14.90439 270.4605 20.50954 31.35251       25.35315 
1 1 1 -26 23 13 o 220.4315 13.26932 1473.943       170.7486 1568.559       206.8230 1271.415       302.5917 225.9338 15.70650 194.7154 27.24203 31.21837       31.44555 
1 1 1 -26 23 14 o 71.58572 25.05570 158.7283       129.7411 119.7662       146.4448 300.8905       279.7337 67.66065 26.09112 94.74084 36.18008 -27.08018      44.60655 
1 1 1 -26 23 15 o 118.2595 18.96751 446.8398       127.1062 402.1928       142.8232 616.8611       278.7115 110.1163 22.86424 127.5443 35.80297 -17.42793      42.48090 
1 1 1 -26 23 16 o 211.2578 23.03041 1457.607       280.7267 0.000000       0.000000 1457.607       280.7267 ?        ?        211.2578 23.03041 0.000000       23.03041 
1 1 1 -26 23 17 o 54.30208 23.13793 26.11625       129.5314 -150.9869      154.5653 443.9294       237.4050 45.40631 21.54514 108.8319 33.72359 -63.42559      40.01842 
1 1 1 -26 23 18 o 72.23728 24.29252 169.7946       121.6229 169.8445       143.3964 169.6666       229.5887 73.25312 26.27283 78.84969 31.93899 -5.596565      41.35651 
1 1 1 -26 23 19 o 80.31703 25.35021 220.6309       133.5109 306.3105       164.7408 56.66373       227.8982 92.72249 27.97104 69.13684 30.08075 23.58565       41.07591 
1 1 1 -26 23 20 o 94.14064 38.45322 322.2508       336.1048 0.000000       0.000000 322.2508       336.1048 ?        ?        94.14064 38.45322 0.000000       38.45322 
1 1 1 -26 23 21 o 101.0438 22.73623 349.0294       131.4677 482.8528       166.8465 129.8732       213.5147 117.7608 24.93579 72.71721 30.26677 45.04364       39.21569 
1 1 1 -26 23 22 o 142.0422 16.02792 638.0184       131.1906 875.8035       162.7176 196.3510       221.7635 165.9547 16.95645 78.89230 31.58786 87.06240       35.85128 
1 1 1 -26 23 23 o 130.1172 16.08426 538.1553       120.1295 0.000000       0.000000 538.1553       120.1295 ?        ?        130.1172 16.08426 0.000000       16.08426 
1 1 1 -26 23 24 o 103.0634 24.62513 377.2157       146.8050 0.000000       0.000000 377.2157       146.8050 ?        ?        103.0634 24.62513 0.000000       24.62513 
1 1 1 -26 23 25 o 108.8350 23.06549 413.7426       142.6455 0.000000       0.000000 413.7426       142.6455 ?        ?        108.8350 23.06549 0.000000       23.06549 
1 1 1 -26 23 26 o 50.07246 22.52997 -18.86488      138.7534 0.000000       0.000000 -18.86488      138.7534 ?        ?        50.07246 22.52997 0.000000       22.52997 
1 1 1 -26 23 27 o 120.8377 21.10505 500.4096       144.1283 0.000000       0.000000 500.4096       144.1283 ?        ?        120.8377 21.10505 0.000000       21.10505 
1 1 1 -26 23 28 o 53.39506 23.79147 4.897786       150.6985 0.000000       0.000000 4.897786       150.6985 ?        ?        53.39506 23.79147 0.000000       23.79147 
1 1 1 -26 23 29 o 67.79183 26.70403 149.5748       156.0384 0.000000       0.000000 149.5748       156.0384 ?        ?        67.79183 26.70403 0.000000       26.70403 
1 1 1 -26 23 30 o 66.85033 26.27439 146.9640       150.7626 0.000000       0.000000 146.9640       150.7626 ?        ?        66.85033 26.27439 0.000000       26.27439 
1 1 1 -26 23 31 o 173.7298 15.33296 970.7177       154.6233 890.5674       469.1028 980.4871       163.7758 113.7863 45.80943 173.6611 16.26984 -59.87472      48.61287 
1 1 1 -26 23 32 o 188.9715 15.98937 1160.403       175.5442 2412.536       479.7918 966.8801       188.6226 232.4456 36.38778 168.6169 19.42880 63.82874       41.24983 
1 1 1 -26 24 1  o 69.30045 24.36780 141.9409       122.8087 159.1589       132.8485 40.76979       322.0285 72.66094 25.35937 80.55130 35.38454 -7.890358      43.53348 
1 1 1 -26 24 2  o 88.22240 24.83727 256.9070       133.9252 229.4785       146.5063 396.3441       330.3275 83.86713 26.56610 107.1024 39.65012 -23.23525      47.72724 
1 1 1 -26 24 3  o 210.4496 13.57988 1339.509       166.7133 1226.016       190.6162 1708.817       343.8506 199.9083 16.40255 229.0478 26.06012 -29.13947      30.79242 
1 1 1 -26 24 4  o 81.55898 26.08596 215.7839       140.9787 266.2808       156.6826 1.079654       323.0791 89.43506 27.34030 78.18816 34.83725 11.24689       44.28460 
1 1 1 -26 24 5  o 210.4588 14.03042 1343.472       172.1873 1261.557       200.8769 1570.383       334.3310 202.3013 17.09067 218.7451 26.60744 -16.44383      31.62352 
1 1 1 -26 24 6  o 64.80331 24.67716 107.0891       129.8999 99.13522       144.6232 140.2948       295.4991 65.53722 25.74122 84.18478 35.36266 -18.64756      43.73932 
1 1 1 -26 24 7  o 196.7301 14.17593 1176.939       162.4617 1280.009       188.4667 878.8398       320.5147 204.3067 15.85298 155.5583 35.86583 48.74840       39.21319 
1 1 1 -26 24 8  o 131.7470 18.62784 546.5795       139.9203 643.4623       155.9955 147.8434       316.4692 142.8810 19.09353 85.90144 36.36657 56.97955       41.07420 
1 1 1 -26 24 9  o 144.2584 17.24470 648.4350       143.0106 748.1445       163.2411 319.2899       296.5889 154.4860 18.37706 97.88147 37.28444 56.60457       41.56736 
1 1 1 -26 24 10 o 57.25738 23.52547 52.68473       126.7352 53.72397       141.1418 48.35944       287.9421 59.55732 24.68310 76.51984 33.54112 -16.96253      41.64447 
1 1 1 -26 24 11 o 159.7770 16.42263 791.6970       151.7004 815.3405       174.2115 717.5339       308.5424 160.8349 18.82484 137.4406 37.32304 23.39438       41.80173 
1 1 1 -26 24 12 o 142.3682 17.52771 635.7919       143.2628 745.3008       165.4826 308.1682       286.2302 153.5862 18.76066 95.51865 36.56792 58.06754       41.09958 
1 1 1 -26 24 13 o 78.96880 24.83450 207.1029       128.2439 218.6341       143.4367 161.1562       286.3180 80.97908 26.34893 83.19979 34.86985 -2.220711      43.70552 
1 1 1 -26 24 14 o 86.53201 24.53601 253.5723       130.2186 206.6375       145.7512 439.2391       289.8891 79.08537 26.59321 107.2287 37.45823 -28.14332      45.93820 
1 1 1 -26 24 15 o 77.70621 23.58555 201.4053       116.8801 135.1724       128.5740 516.6331       280.4973 67.64328 24.78956 115.2262 36.78923 -47.58290      44.36180 
1 1 1 -26 24 16 o 109.8798 21.73910 399.6370       135.1282 368.9059       145.7448 587.8167       360.6537 104.0644 24.31988 117.9412 41.73350 -13.87677      48.30260 
1 1 1 -26 24 17 o 51.30768 22.05173 16.09857       119.5232 0.4998854E-01  137.3738 66.09389       242.4656 52.82533 23.16087 71.40078 31.04694 -18.57545      38.73420 
1 1 1 -26 24 18 o 85.72992 24.55370 254.1403       129.7617 312.9812       158.5865 134.9370       225.7204 93.74659 27.23458 74.81618 31.12846 18.93040       41.36065 
1 1 1 -26 24 19 o 45.71171 20.57205 -31.39688      115.7517 -59.37399      138.6297 33.01307       210.3446 47.81863 21.90614 64.92794 28.55703 -17.10931      35.99143 
1 1 1 -26 24 20 o 75.18278 24.17274 193.2386       120.9427 200.5525       149.4436 179.3564       205.8900 76.67608 26.88700 76.66492 30.52284 0.1115417E-01  40.67622 
1 1 1 -26 24 21 o 136.6439 15.34350 587.7449       120.8385 0.000000       0.000000 587.7449       120.8385 ?        ?        136.6439 15.34350 0.000000       15.34350 
1 1 1 -26 24 22 o 109.6739 26.36416 434.0257       167.4747 0.000000       0.000000 434.0257       167.4747 ?        ?        109.6739 26.36416 0.000000       26.36416 
1 1 1 -26 24 23 o 68.57916 24.52943 155.4276       124.9062 0.000000       0.000000 155.4276       124.9062 ?        ?        68.57916 24.52943 0.000000       24.52943 
1 1 1 -26 24 24 o 124.8513 17.78826 508.4593       126.5701 0.000000       0.000000 508.4593       126.5701 ?        ?        124.8513 17.78826 0.000000       17.78826 
1 1 1 -26 24 25 o 71.14184 25.00929 175.5419       129.3543 0.000000       0.000000 175.5419       129.3543 ?        ?        71.14184 25.00929 0.000000       25.00929 
1 1 1 -26 24 26 o 49.57267 22.52452 -30.42783      142.7564 0.000000       0.000000 -30.42783      142.7564 ?        ?        49.57267 22.52452 0.000000       22.52452 
1 1 1 -26 24 27 o 151.2493 17.69658 750.1417       154.0119 0.000000       0.000000 750.1417       154.0119 ?        ?        151.2493 17.69658 0.000000       17.69658 
1 1 1 -26 24 28 o 47.64036 22.17439 -70.95681      150.4866 0.000000       0.000000 -70.95681      150.4866 ?        ?        47.64036 22.17439 0.000000       22.17439 
1 1 1 -26 24 29 o 103.1767 26.63931 408.6643       162.3028 0.000000       0.000000 408.6643       162.3028 ?        ?        103.1767 26.63931 0.000000       26.63931 
1 1 1 -26 24 30 o 78.35439 27.47724 237.9642       156.0786 0.000000       0.000000 237.9642       156.0786 ?        ?        78.35439 27.47724 0.000000       27.47724 
1 1 1 -26 24 31 o 68.84858 28.52762 153.8069       188.4763 0.000000       0.000000 153.8069       188.4763 ?        ?        68.84858 28.52762 0.000000       28.52762 
1 1 1 -26 25 1  o 235.6108 13.10828 1678.359       180.4164 1773.233       211.5120 1424.964       345.6675 241.0661 15.03543 205.0125 29.60591 36.05365       33.20503 
1 1 1 -26 25 2  o 202.8878 13.25978 1246.792       156.9121 1259.428       177.4350 1201.448       336.1066 203.0184 15.00843 185.9524 31.97175 17.06595       35.31920 
1 1 1 -26 25 3  o 137.1815 17.49475 587.5643       137.5536 553.8210       152.6497 733.2984       317.2365 131.7252 20.42006 139.6732 37.80981 -7.947998      42.97162 
1 1 1 -26 25 4  o 363.9742 18.51317 4116.531       393.8884 0.000000       0.000000 4116.531       393.8884 ?        ?        363.9742 18.51317 0.000000       18.51317 
1 1 1 -26 25 5  o 286.2316 33.22284 2868.792       547.3571 0.000000       0.000000 2868.792       547.3571 ?        ?        286.2316 33.22284 0.000000       33.22284 
1 1 1 -26 25 6  o 210.5588 13.71155 1347.350       168.4000 1303.718       196.2463 1469.208       327.9622 205.5619 16.41454 209.6568 27.32188 -4.094879      31.87354 
1 1 1 -26 25 7  o 60.45724 24.24101 74.95596       130.7945 50.74103       145.1290 179.6911       301.8275 59.78256 24.92377 86.44009 35.98280 -26.65752      43.77164 
1 1 1 -26 25 8  o 183.2509 14.64054 1028.391       156.0376 1045.922       178.1555 970.6447       323.3393 183.6473 16.72438 163.1048 34.85931 20.54254       38.66363 
1 1 1 -26 25 9  o 128.6963 18.57801 524.8924       136.1676 522.3295       153.4478 534.3876       295.3588 126.9126 21.37479 117.9215 37.76195 8.991135       43.39178 
1 1 1 -26 25 10 o 105.1657 22.22292 365.0627       132.7664 406.5965       150.8990 222.7278       279.3453 110.1793 24.03085 87.67589 35.33167 22.50340       42.72948 
1 1 1 -26 25 11 o 102.7535 20.90041 345.3503       121.6581 270.1774       132.9260 733.2065       301.9359 89.30798 24.59793 138.5135 36.61779 -49.20555      44.11259 
1 1 1 -26 25 12 o 46.48031 20.99188 -42.58620      121.7529 -35.74068      135.0785 -72.23663      281.1244 49.65028 22.29391 67.96189 31.15677 -18.31161      38.31139 
1 1 1 -26 25 13 o 50.86323 21.90905 11.39526       118.4798 37.52484       131.5783 -100.5893      272.3936 55.84692 23.53609 65.32800 30.20814 -9.481079      38.29464 
1 1 1 -26 25 14 o 62.29321 23.92348 102.0459       122.7697 98.17011       137.5276 117.2532       272.4166 63.44530 25.04590 78.01113 33.40564 -14.56583      41.75206 
1 1 1 -26 25 15 o 50.15144 22.01847 -4.692056      124.5380 22.31208       142.4747 -92.14162      256.3903 55.74311 24.01834 63.37837 29.30686 -7.635258      37.89159 
1 1 1 -26 25 16 o 53.64141 21.93366 52.05621       109.4947 50.49610       121.8344 58.60869       249.6865 55.35620 22.93655 71.23418 31.22867 -15.87798      38.74681 
1 1 1 -26 25 17 o 43.67192 19.99753 -54.88268      115.3525 -37.27626      124.3110 -163.9986      309.4697 46.92067 21.19908 65.12836 30.77938 -18.20769      37.37340 
1 1 1 -26 25 18 o 114.4901 32.36818 505.9710       226.9604 0.000000       0.000000 505.9710       226.9604 ?        ?        114.4901 32.36818 0.000000       32.36818 
1 1 1 -26 25 19 o 42.68583 19.44128 -44.17589      107.1397 0.000000       0.000000 -44.17589      107.1397 ?        ?        42.68583 19.44128 0.000000       19.44128 
1 1 1 -26 25 20 o 203.8608 11.69962 1267.868       139.2927 0.000000       0.000000 1267.868       139.2927 ?        ?        203.8608 11.69962 0.000000       11.69962 
1 1 1 -26 25 21 f 113.3926 20.70929 431.4815       132.6479 0.000000       0.000000 431.4815       132.6479 ?        ?        113.3926 20.70929 0.000000       20.70929 
1 1 1 -26 25 22 o 111.6854 19.42521 414.6837       122.6193 0.000000       0.000000 414.6837       122.6193 ?        ?        111.6854 19.42521 0.000000       19.42521 
1 1 1 -26 25 23 o 72.15469 24.68470 181.2154       125.6266 0.000000       0.000000 181.2154       125.6266 ?        ?        72.15469 24.68470 0.000000       24.68470 
1 1 1 -26 25 24 o 163.7293 36.95178 1150.257       346.3736 0.000000       0.000000 1150.257       346.3736 ?        ?        163.7293 36.95178 0.000000       36.95178 
1 1 1 -26 25 25 o 52.47451 23.27596 5.944949       142.5989 0.000000       0.000000 5.944949       142.5989 ?        ?        52.47451 23.27596 0.000000       23.27596 
1 1 1 -26 25 26 o 79.63106 26.21497 236.6368       141.7949 0.000000       0.000000 236.6368       141.7949 ?        ?        79.63106 26.21497 0.000000       26.21497 
1 1 1 -26 25 27 o 83.99687 27.14179 272.0430       152.3520 0.000000       0.000000 272.0430       152.3520 ?        ?        83.99687 27.14179 0.000000       27.14179 
1 1 1 -26 25 28 o 59.83337 25.57019 73.56733       159.0290 0.000000       0.000000 73.56733       159.0290 ?        ?        59.83337 25.57019 0.000000       25.57019 
1 1 1 -26 25 29 o 72.00906 27.32792 188.7716       158.9718 0.000000       0.000000 188.7716       158.9718 ?        ?        72.00906 27.32792 0.000000       27.32792 
1 1 1 -26 25 30 o 74.03967 27.79350 208.4350       163.4172 0.000000       0.000000 208.4350       163.4172 ?        ?        74.03967 27.79350 0.000000       27.79350 
1 1 1 -26 26 1  o 185.4073 14.54226 1051.833       156.8636 1077.156       176.3288 955.7628       343.4535 186.6768 16.26814 159.4312 37.38431 27.24567       40.77056 
1 1 1 -26 26 2  o 87.67292 22.75177 255.1860       117.9842 315.9489       127.4172 -110.2063      312.4558 97.66811 22.68053 70.13570 32.40371 27.53240       39.55258 
1 1 1 -26 26 3  o 38.00469 18.02633 -115.9822      108.0023 -169.0404      115.1685 271.0056       311.0325 36.46261 17.63674 93.56567 37.42739 -57.10306      41.37468 
1 1 1 -26 26 4  o 261.6343 21.94237 2195.096       333.5901 0.000000       0.000000 2195.096       333.5901 ?        ?        261.6343 21.94237 0.000000       21.94237 
1 1 1 -26 26 5  o 255.0553 12.79688 1969.873       190.8093 1993.271       234.1458 1923.615       329.2211 254.5098 15.76407 243.3519 23.35393 11.15790       28.17644 
1 1 1 -26 26 6  o 130.5404 19.00218 542.1174       141.2113 597.0512       158.2437 327.3484       312.8907 136.3137 20.42212 97.78286 38.01970 38.53082       43.15739 
1 1 1 -26 26 7  o 43.20062 20.02010 -81.80736      120.6197 -124.2252      130.8419 158.2786       311.2834 42.47041 20.05389 84.77211 35.98550 -42.30170      41.19606 
1 1 1 -26 26 8  o 62.13379 24.20855 94.57265       127.0628 123.8387       139.7222 -45.32895      305.4887 67.30541 25.60189 72.07126 32.82618 -4.765846      41.62950 
1 1 1 -26 26 9  f 62.33702 23.96328 99.98330       123.2603 77.85357       136.2876 199.4210       288.8976 61.15603 24.66664 85.92142 35.43323 -24.76539      43.17356 
1 1 1 -26 26 10 o 53.76394 23.04454 19.86531       129.8647 96.33209       148.4931 -228.8356      267.7988 64.68849 25.86590 58.99746 28.09807 5.691032       38.19092 
1 1 1 -26 26 11 o 138.8868 16.89067 606.3278       134.7556 594.8652       152.3728 647.4772       288.7004 135.9864 19.67690 128.8641 36.53155 7.122314       41.49379 
1 1 1 -26 26 12 o 54.63150 22.71360 44.58447       120.0521 132.5262       135.3095 -280.7265      260.2437 67.57702 25.30655 55.66111 26.82092 11.91590       36.87524 
1 1 1 -26 26 13 o 95.56931 22.96778 309.4952       127.1292 300.2018       145.7291 339.0901       260.0561 92.78266 25.83233 95.66331 35.22230 -2.880653      43.67974 
1 1 1 -26 26 14 o 49.35456 21.62854 -2.168348      119.6666 15.97532       136.2853 -63.25076      250.0601 53.97347 23.37383 63.83200 29.30842 -9.858532      37.48759 
1 1 1 -26 26 15 o 155.0652 15.03273 749.6707       134.9978 724.9905       161.2501 807.5042       246.8398 150.0902 18.72497 149.7888 29.14791 0.3014679      34.64426 
1 1 1 -26 26 16 o 107.6328 33.88908 457.2487       238.7381 0.000000       0.000000 457.2487       238.7381 ?        ?        107.6328 33.88908 0.000000       33.88908 
1 1 1 -26 26 17 o 179.4200 12.10284 983.7042       126.6077 0.000000       0.000000 983.7042       126.6077 ?        ?        179.4200 12.10284 0.000000       12.10284 
1 1 1 -26 26 18 o 56.51414 22.90502 68.93925       118.1566 0.000000       0.000000 68.93925       118.1566 ?        ?        56.51414 22.90502 0.000000       22.90502 
1 1 1 -26 26 19 o 31.92796 16.04592 -364.2769      133.6824 0.000000       0.000000 -364.2769      133.6824 ?        ?        31.92796 16.04592 0.000000       16.04592 
1 1 1 -26 26 20 o 99.14313 22.94748 342.2673       130.7872 0.000000       0.000000 342.2673       130.7872 ?        ?        99.14313 22.94748 0.000000       22.94748 
1 1 1 -26 26 21 o 100.0989 23.34043 352.5358       134.4885 0.000000       0.000000 352.5358       134.4885 ?        ?        100.0989 23.34043 0.000000       23.34043 
1 1 1 -26 26 22 o 74.79410 25.76760 198.5146       136.9583 0.000000       0.000000 198.5146       136.9583 ?        ?        74.79410 25.76760 0.000000       25.76760 
1 1 1 -26 26 23 o 89.73940 25.40473 296.9765       139.7162 0.000000       0.000000 296.9765       139.7162 ?        ?        89.73940 25.40473 0.000000       25.40473 
1 1 1 -26 26 24 o 59.56931 24.94101 76.77891       146.2555 0.000000       0.000000 76.77891       146.2555 ?        ?        59.56931 24.94101 0.000000       24.94101 
1 1 1 -26 26 25 o 88.34256 28.29699 304.6812       165.8447 0.000000       0.000000 304.6812       165.8447 ?        ?        88.34256 28.29699 0.000000       28.29699 
1 1 1 -26 26 26 o 65.16737 28.92968 68.51991       220.7346 0.000000       0.000000 68.51991       220.7346 ?        ?        65.16737 28.92968 0.000000       28.92968 
1 1 1 -26 26 27 o 101.1368 26.73402 393.7649       160.9488 0.000000       0.000000 393.7649       160.9488 ?        ?        101.1368 26.73402 0.000000       26.73402 
1 1 1 -26 26 28 o 68.66241 26.84953 161.1383       156.7588 0.000000       0.000000 161.1383       156.7588 ?        ?        68.66241 26.84953 0.000000       26.84953 
1 1 1 -26 26 29 o 63.80114 27.17863 104.6474       178.6446 0.000000       0.000000 104.6474       178.6446 ?        ?        63.80114 27.17863 0.000000       27.17863 
1 1 1 -26 27 1  o 72.73306 25.23993 166.8817       131.5028 183.3182       144.4403 87.26468       317.8981 75.79136 26.44323 80.63114 35.29559 -4.839783      44.10241 
1 1 1 -26 27 2  o 122.5920 18.38770 477.5510       128.1300 470.0750       140.3410 514.9896       314.0580 120.4764 20.60226 114.5280 39.03295 5.948364       44.13643 
1 1 1 -26 27 3  o 111.3440 19.75141 400.0680       124.2551 415.3573       135.5659 319.7430       310.7289 112.7135 21.28805 96.61604 37.79549 16.09750       43.37834 
1 1 1 -26 27 4  o 104.1520 21.76723 357.8082       128.6707 313.8561       143.1691 542.4394       293.4350 95.89851 25.15009 117.9178 37.62587 -22.01927      45.25741 
1 1 1 -26 27 5  o 207.6825 13.08459 1312.506       158.5614 1229.978       184.9536 1541.370       307.9996 199.2716 15.95914 215.5341 24.81853 -16.26242      29.50684 
1 1 1 -26 27 6  o 166.4702 15.47710 858.1964       149.3734 832.3857       171.8341 938.0212       302.1891 162.1994 18.38784 160.1569 33.26110 2.042480       38.00544 
1 1 1 -26 27 7  o 223.0116 13.22391 1515.749       172.1805 1620.613       207.5128 1284.017       308.4794 228.9925 15.54371 193.1049 28.05897 35.88762       32.07667 
1 1 1 -26 27 8  o 74.51450 24.42655 182.9890       123.1602 188.3323       136.0142 158.6599       290.2289 75.72129 25.68911 82.28310 34.83011 -6.561813      43.27895 
1 1 1 -26 27 9  o 36.17550 17.51717 -167.1945      114.4063 -110.1252      127.0521 -411.8255      263.0488 42.35061 19.92459 51.53966 25.30193 -9.189056      32.20523 
1 1 1 -26 27 10 o 151.9028 30.66805 833.2425       263.7892 0.000000       0.000000 833.2425       263.7892 ?        ?        151.9028 30.66805 0.000000       30.66805 
1 1 1 -26 27 11 o 100.2712 22.44901 339.0854       128.7210 450.6712       147.6184 -14.96409      262.9469 115.9643 22.51727 68.04092 30.77781 47.92342       38.13530 
1 1 1 -26 27 12 o 90.41489 22.77412 278.7810       120.6813 245.2552       137.3503 392.3026       252.7430 83.91448 25.58745 100.3818 34.98201 -16.46735      43.34118 
1 1 1 -26 27 13 o 68.44809 30.26636 39.04204       239.2716 0.000000       0.000000 39.04204       239.2716 ?        ?        68.44809 30.26636 0.000000       30.26636 
1 1 1 -26 27 14 o 149.4808 29.85722 815.8375       252.5827 0.000000       0.000000 815.8375       252.5827 ?        ?        149.4808 29.85722 0.000000       29.85722 
1 1 1 -26 27 15 o 92.11579 22.67786 291.3531       121.6812 0.000000       0.000000 291.3531       121.6812 ?        ?        92.11579 22.67786 0.000000       22.67786 
1 1 1 -26 27 16 o 80.49186 23.76007 225.3695       119.8735 0.000000       0.000000 225.3695       119.8735 ?        ?        80.49186 23.76007 0.000000       23.76007 
1 1 1 -26 27 17 o 40.46098 19.37655 -146.3669      131.1252 0.000000       0.000000 -146.3669      131.1252 ?        ?        40.46098 19.37655 0.000000       19.37655 
1 1 1 -26 27 18 o 102.6879 22.12804 362.0211       129.3298 0.000000       0.000000 362.0211       129.3298 ?        ?        102.6879 22.12804 0.000000       22.12804 
1 1 1 -26 27 19 o 103.4561 22.43668 370.5755       132.2062 0.000000       0.000000 370.5755       132.2062 ?        ?        103.4561 22.43668 0.000000       22.43668 
1 1 1 -26 27 20 o 110.2090 22.31731 420.3700       139.2953 0.000000       0.000000 420.3700       139.2953 ?        ?        110.2090 22.31731 0.000000       22.31731 
1 1 1 -26 27 21 o 39.04739 18.77098 -145.9374      125.7187 0.000000       0.000000 -145.9374      125.7187 ?        ?        39.04739 18.77098 0.000000       18.77098 
1 1 1 -26 27 22 o 101.0318 22.93558 361.4189       132.7817 0.000000       0.000000 361.4189       132.7817 ?        ?        101.0318 22.93558 0.000000       22.93558 
1 1 1 -26 27 23 o 69.14058 25.02118 164.5915       130.4051 0.000000       0.000000 164.5915       130.4051 ?        ?        69.14058 25.02118 0.000000       25.02118 
1 1 1 -26 27 24 o 162.7509 15.35110 846.8946       144.7946 0.000000       0.000000 846.8946       144.7946 ?        ?        162.7509 15.35110 0.000000       15.35110 
1 1 1 -26 27 25 o 74.32952 27.23880 204.2882       155.2333 0.000000       0.000000 204.2882       155.2333 ?        ?        74.32952 27.23880 0.000000       27.23880 
1 1 1 -26 27 26 o 88.06605 32.08974 332.0522       214.9913 0.000000       0.000000 332.0522       214.9913 ?        ?        88.06605 32.08974 0.000000       32.08974 
1 1 1 -26 27 27 o 62.13097 26.97286 77.13570       182.3987 0.000000       0.000000 77.13570       182.3987 ?        ?        62.13097 26.97286 0.000000       26.97286 
1 1 1 -26 27 28 f 58.88028 26.75165 13.48019       201.3194 0.000000       0.000000 13.48019       201.3194 ?        ?        58.88028 26.75165 0.000000       26.75165 
1 1 1 -26 28 1  o 155.2756 15.46470 748.9661       138.9595 757.9193       154.0682 709.9162       321.7620 155.1948 17.21651 132.4547 38.88174 22.74011       42.52291 
1 1 1 -26 28 2  o 188.0836 13.91832 1085.268       152.4405 1057.890       174.4109 1173.865       313.7468 184.1851 16.31470 181.7284 30.51856 2.456711       34.60566 
1 1 1 -26 28 3  o 160.9518 15.67149 805.9326       146.0591 827.1837       166.3045 734.2433       305.4499 161.7497 17.82641 136.4286 37.17190 25.32115       41.22536 
1 1 1 -26 28 4  o 258.6227 20.36601 2147.339       306.4127 0.000000       0.000000 2147.339       306.4127 ?        ?        258.6227 20.36601 0.000000       20.36601 
1 1 1 -26 28 5  o 253.9832 20.22334 2071.125       298.7512 0.000000       0.000000 2071.125       298.7512 ?        ?        253.9832 20.22334 0.000000       20.22334 
1 1 1 -26 28 6  o 132.7544 17.43624 559.2232       132.4754 570.2352       150.3322 520.9548       280.2457 132.5892 19.95039 114.2114 36.80337 18.37779       41.86295 
1 1 1 -26 28 7  o 45.90221 20.74417 -39.31039      119.1212 -95.97609      133.4421 182.9999       264.3093 44.46691 20.75835 81.60403 33.79500 -37.13712      39.66121 
1 1 1 -26 28 8  o 56.94253 23.12794 65.39976       120.7654 154.9936       135.7197 -275.2726      264.6502 70.30310 25.51410 56.01531 27.00550 14.28779       37.15194 
1 1 1 -26 28 9  o 57.23078 22.82701 74.09749       115.3620 167.3911       129.9756 -272.2047      250.4169 71.70365 25.07966 54.21460 26.17011 17.48906       36.24726 
1 1 1 -26 28 10 o 159.6650 29.00089 913.4542       261.5642 0.000000       0.000000 913.4542       261.5642 ?        ?        159.6650 29.00089 0.000000       29.00089 
1 1 1 -26 28 11 o 48.99622 20.96465 18.21645       107.1400 0.000000       0.000000 18.21645       107.1400 ?        ?        48.99622 20.96465 0.000000       20.96465 
1 1 1 -26 28 12 f 82.76651 23.90452 237.4749       122.5032 0.000000       0.000000 237.4749       122.5032 ?        ?        82.76651 23.90452 0.000000       23.90452 
1 1 1 -26 28 13 o 75.68604 24.58928 196.5013       124.9440 0.000000       0.000000 196.5013       124.9440 ?        ?        75.68604 24.58928 0.000000       24.58928 
1 1 1 -26 28 14 o 158.0925 14.79967 781.4266       135.6238 0.000000       0.000000 781.4266       135.6238 ?        ?        158.0925 14.79967 0.000000       14.79967 
1 1 1 -26 28 15 o 104.9823 21.26158 372.5313       126.4131 0.000000       0.000000 372.5313       126.4131 ?        ?        104.9823 21.26158 0.000000       21.26158 
1 1 1 -26 28 16 o 101.1503 22.89097 354.9066       132.6153 0.000000       0.000000 354.9066       132.6153 ?        ?        101.1503 22.89097 0.000000       22.89097 
1 1 1 -26 28 17 o 103.2838 22.51348 369.4222       132.5141 0.000000       0.000000 369.4222       132.5141 ?        ?        103.2838 22.51348 0.000000       22.51348 
1 1 1 -26 28 18 o 127.8487 19.08481 540.2050       138.7230 0.000000       0.000000 540.2050       138.7230 ?        ?        127.8487 19.08481 0.000000       19.08481 
1 1 1 -26 28 19 o 45.62750 21.03130 -58.58150      130.5188 0.000000       0.000000 -58.58150      130.5188 ?        ?        45.62750 21.03130 0.000000       21.03130 
1 1 1 -26 28 20 o 167.9918 15.09949 894.9780       147.1794 0.000000       0.000000 894.9780       147.1794 ?        ?        167.9918 15.09949 0.000000       15.09949 
1 1 1 -26 28 21 o 33.73061 16.77961 -281.3135      130.1676 0.000000       0.000000 -281.3135      130.1676 ?        ?        33.73061 16.77961 0.000000       16.77961 
1 1 1 -26 28 22 o 53.93853 23.27066 36.31402       134.0766 0.000000       0.000000 36.31402       134.0766 ?        ?        53.93853 23.27066 0.000000       23.27066 
1 1 1 -26 28 23 o 79.39220 26.40608 237.5934       143.7611 0.000000       0.000000 237.5934       143.7611 ?        ?        79.39220 26.40608 0.000000       26.40608 
1 1 1 -26 28 24 o 58.22724 24.83475 65.72865       149.4846 0.000000       0.000000 65.72865       149.4846 ?        ?        58.22724 24.83475 0.000000       24.83475 
1 1 1 -26 28 25 o 41.46642 20.32258 -244.4510      167.4997 0.000000       0.000000 -244.4510      167.4997 ?        ?        41.46642 20.32258 0.000000       20.32258 
1 1 1 -26 28 26 o 52.79209 24.27383 -34.47001      172.3686 0.000000       0.000000 -34.47001      172.3686 ?        ?        52.79209 24.27383 0.000000       24.27383 
1 1 1 -26 29 1  o 137.4819 16.91832 598.1612       133.5387 612.8396       146.2659 524.6581       327.3078 138.2185 18.50851 111.5944 39.73043 26.62415       43.83004 
1 1 1 -26 29 2  f 108.9975 35.46941 470.4212       259.9180 -134.6956      451.6679 770.0264       317.8149 78.29485 37.05622 137.1874 38.13100 -58.89252      53.17082 
1 1 1 -26 29 3  o 116.4017 19.99874 443.5271       131.6069 379.4867       147.8389 688.0633       288.8903 104.8558 24.48654 131.2170 36.31010 -26.36119      43.79514 
1 1 1 -26 29 4  o 151.7968 15.49529 720.3262       136.0145 570.4393       157.6134 1157.552       269.1933 131.5037 21.15374 183.8395 25.66612 -52.33585      33.26004 
1 1 1 -26 29 5  o 104.7350 21.97459 368.8505       130.6650 388.1012       141.8137 260.6547       336.2020 106.6855 23.31785 89.93658 37.74544 16.74892       44.36711 
1 1 1 -26 29 6  o 64.28979 29.47989 -53.42732      251.8680 0.000000       0.000000 -53.42732      251.8680 ?        ?        64.28979 29.47989 0.000000       29.47989 
1 1 1 -26 29 7  o 164.3135 13.71213 833.2135       130.9347 0.000000       0.000000 833.2135       130.9347 ?        ?        164.3135 13.71213 0.000000       13.71213 
1 1 1 -26 29 8  o 52.76694 22.01873 41.60011       113.4190 0.000000       0.000000 41.60011       113.4190 ?        ?        52.76694 22.01873 0.000000       22.01873 
1 1 1 -26 29 9  o 133.9465 16.85101 570.7332       129.4527 0.000000       0.000000 570.7332       129.4527 ?        ?        133.9465 16.85101 0.000000       16.85101 
1 1 1 -26 29 10 o 65.94515 24.78113 130.2490       129.9871 0.000000       0.000000 130.2490       129.9871 ?        ?        65.94515 24.78113 0.000000       24.78113 
1 1 1 -26 29 11 o 82.93572 23.16206 238.3701       116.9638 0.000000       0.000000 238.3701       116.9638 ?        ?        82.93572 23.16206 0.000000       23.16206 
1 1 1 -26 29 12 o 70.64498 25.09786 164.7975       130.5478 0.000000       0.000000 164.7975       130.5478 ?        ?        70.64498 25.09786 0.000000       25.09786 
1 1 1 -26 29 13 o 97.60789 23.89099 334.3433       135.6373 0.000000       0.000000 334.3433       135.6373 ?        ?        97.60789 23.89099 0.000000       23.89099 
1 1 1 -26 29 14 o 57.91430 24.29169 60.11707       139.1207 0.000000       0.000000 60.11707       139.1207 ?        ?        57.91430 24.29169 0.000000       24.29169 
1 1 1 -26 29 15 o 93.63683 24.15359 311.9822       133.5116 0.000000       0.000000 311.9822       133.5116 ?        ?        93.63683 24.15359 0.000000       24.15359 
1 1 1 -26 29 16 o 95.95609 24.65992 330.9846       139.5211 0.000000       0.000000 330.9846       139.5211 ?        ?        95.95609 24.65992 0.000000       24.65992 
1 1 1 -26 29 17 o 94.21945 24.61822 320.7337       137.5115 0.000000       0.000000 320.7337       137.5115 ?        ?        94.21945 24.61822 0.000000       24.61822 
1 1 1 -26 29 18 f 49.07824 22.22878 -28.17901      137.6869 0.000000       0.000000 -28.17901      137.6869 ?        ?        49.07824 22.22878 0.000000       22.22878 
1 1 1 -26 29 19 o 80.10146 26.56642 237.9626       145.5371 0.000000       0.000000 237.9626       145.5371 ?        ?        80.10146 26.56642 0.000000       26.56642 
1 1 1 -26 29 20 o 136.8326 18.29320 618.2379       143.1267 0.000000       0.000000 618.2379       143.1267 ?        ?        136.8326 18.29320 0.000000       18.29320 
1 1 1 -26 29 21 o 45.13673 20.80833 -53.51851      127.8369 0.000000       0.000000 -53.51851      127.8369 ?        ?        45.13673 20.80833 0.000000       20.80833 
1 1 1 -26 29 22 o 52.55857 22.63391 36.08407       126.3914 0.000000       0.000000 36.08407       126.3914 ?        ?        52.55857 22.63391 0.000000       22.63391 
1 1 1 -26 29 23 o 65.04053 26.03290 130.2724       150.5718 0.000000       0.000000 130.2724       150.5718 ?        ?        65.04053 26.03290 0.000000       26.03290 
1 1 1 -26 29 24 o 36.37516 18.15789 -344.4478      158.0673 0.000000       0.000000 -344.4478      158.0673 ?        ?        36.37516 18.15789 0.000000       18.15789 
1 1 1 -26 29 25 o 60.90581 26.16107 79.90666       168.0277 0.000000       0.000000 79.90666       168.0277 ?        ?        60.90581 26.16107 0.000000       26.16107 
1 1 1 -26 30 1  o 140.7729 32.38057 750.0238       261.7596 993.0508       437.6604 614.6750       326.6157 143.3471 45.97359 118.8971 39.80730 24.45004       60.81277 
1 1 1 -26 30 2  o 55.83140 26.70748 -216.4733      247.6040 47.28622       448.5541 -332.0652      296.9439 83.69604 38.72370 57.49657 27.93015 26.19947       47.74535 
1 1 1 -26 30 3  o 72.04128 22.86538 174.4347       108.4853 431.3580       458.6949 159.2118       111.6529 101.6849 43.44049 69.47215 23.27466 32.21275       49.28271 
1 1 1 -26 30 4  o 143.7809 16.52306 654.7897       136.7998 0.000000       0.000000 654.7897       136.7998 ?        ?        143.7809 16.52306 0.000000       16.52306 
1 1 1 -26 30 5  o 94.75169 23.26672 309.8918       128.3300 0.000000       0.000000 309.8918       128.3300 ?        ?        94.75169 23.26672 0.000000       23.26672 
1 1 1 -26 30 6  o 68.77619 25.09938 149.8413       131.5998 0.000000       0.000000 149.8413       131.5998 ?        ?        68.77619 25.09938 0.000000       25.09938 
1 1 1 -26 30 7  o 69.85626 24.41107 160.4713       123.1210 0.000000       0.000000 160.4713       123.1210 ?        ?        69.85626 24.41107 0.000000       24.41107 
1 1 1 -26 30 8  o 86.30070 24.11975 261.1712       126.7856 0.000000       0.000000 261.1712       126.7856 ?        ?        86.30070 24.11975 0.000000       24.11975 
1 1 1 -26 30 9  o 164.9080 14.26993 846.8459       136.6543 0.000000       0.000000 846.8459       136.6543 ?        ?        164.9080 14.26993 0.000000       14.26993 
1 1 1 -26 30 10 o 171.5000 14.40629 917.7701       143.5613 0.000000       0.000000 917.7701       143.5613 ?        ?        171.5000 14.40629 0.000000       14.40629 
1 1 1 -26 30 11 o 139.4656 16.84411 623.1896       134.9861 0.000000       0.000000 623.1896       134.9861 ?        ?        139.4656 16.84411 0.000000       16.84411 
1 1 1 -26 30 12 o 181.4783 15.04735 1035.397       158.7145 0.000000       0.000000 1035.397       158.7145 ?        ?        181.4783 15.04735 0.000000       15.04735 
1 1 1 -26 30 13 o 104.7601 23.20386 383.9043       138.8032 0.000000       0.000000 383.9043       138.8032 ?        ?        104.7601 23.20386 0.000000       23.20386 
1 1 1 -26 30 14 o 60.30869 24.45187 89.39327       134.7110 0.000000       0.000000 89.39327       134.7110 ?        ?        60.30869 24.45187 0.000000       24.45187 
1 1 1 -26 30 15 o 70.08979 26.10272 164.2277       143.5591 0.000000       0.000000 164.2277       143.5591 ?        ?        70.08979 26.10272 0.000000       26.10272 
1 1 1 -26 30 16 o 62.48214 25.65802 97.72342       150.6464 0.000000       0.000000 97.72342       150.6464 ?        ?        62.48214 25.65802 0.000000       25.65802 
1 1 1 -26 30 17 o 83.57317 27.07277 262.5195       151.5202 0.000000       0.000000 262.5195       151.5202 ?        ?        83.57317 27.07277 0.000000       27.07277 
1 1 1 -26 30 18 o 113.3579 21.75439 445.4955       139.3688 0.000000       0.000000 445.4955       139.3688 ?        ?        113.3579 21.75439 0.000000       21.75439 
1 1 1 -26 30 19 o 65.27476 26.31364 125.0964       155.0033 0.000000       0.000000 125.0964       155.0033 ?        ?        65.27476 26.31364 0.000000       26.31364 
1 1 1 -26 30 20 o 86.51820 26.77129 287.2349       149.6711 0.000000       0.000000 287.2349       149.6711 ?        ?        86.51820 26.77129 0.000000       26.77129 
1 1 1 -26 30 21 o 80.13171 27.28609 246.7033       153.4671 0.000000       0.000000 246.7033       153.4671 ?        ?        80.13171 27.28609 0.000000       27.28609 
1 1 1 -26 30 22 o 63.70988 26.43564 110.3658       162.1661 0.000000       0.000000 110.3658       162.1661 ?        ?        63.70988 26.43564 0.000000       26.43564 
1 1 1 -26 30 23 o 83.88142 27.95013 279.1144       161.0498 0.000000       0.000000 279.1144       161.0498 ?        ?        83.88142 27.95013 0.000000       27.95013 
1 1 1 -26 31 1  o 77.19282 24.13063 206.5883       121.2603 479.3528       430.0805 183.0324       126.3879 102.7937 42.88422 73.35533 24.76409 29.43836       49.52087 
1 1 1 -26 31 2  o 47.30534 21.19588 -23.09497      121.3901 -248.4409      451.1907 -5.510572      126.0373 72.85405 35.15782 49.73078 21.97938 23.12327       41.46282 
1 1 1 -26 31 3  o 82.28632 24.91656 239.0489       130.5512 -63.51052      475.7336 263.6893       135.7631 79.79483 37.84378 86.09866 25.25144 -6.303833      45.49491 
1 1 1 -26 31 4  o 56.31014 23.61286 52.47076       131.4027 506.6078       460.4584 12.20773       137.1040 103.5741 43.85818 53.13332 23.22082 50.44083       49.62607 
1 1 1 -26 31 5  o 123.7877 19.00407 502.0248       133.5650 0.000000       0.000000 502.0248       133.5650 ?        ?        123.7877 19.00407 0.000000       19.00407 
1 1 1 -26 31 6  o 77.09604 24.40692 207.7439       123.6754 0.000000       0.000000 207.7439       123.6754 ?        ?        77.09604 24.40692 0.000000       24.40692 
1 1 1 -26 31 7  o 99.00361 23.89705 344.7516       137.1599 0.000000       0.000000 344.7516       137.1599 ?        ?        99.00361 23.89705 0.000000       23.89705 
1 1 1 -26 31 8  o 99.36261 24.91683 352.7939       144.9203 0.000000       0.000000 352.7939       144.9203 ?        ?        99.36261 24.91683 0.000000       24.91683 
1 1 1 -26 31 9  o 102.3942 25.29183 376.9622       150.9766 0.000000       0.000000 376.9622       150.9766 ?        ?        102.3942 25.29183 0.000000       25.29183 
1 1 1 -26 31 10 o 109.8804 23.39660 422.0930       146.1469 0.000000       0.000000 422.0930       146.1469 ?        ?        109.8804 23.39660 0.000000       23.39660 
1 1 1 -26 31 11 o 179.5017 24.70507 1129.943       253.1883 0.000000       0.000000 1129.943       253.1883 ?        ?        179.5017 24.70507 0.000000       24.70507 
1 1 1 -26 31 12 o 39.10186 19.07810 -212.3969      142.8062 0.000000       0.000000 -212.3969      142.8062 ?        ?        39.10186 19.07810 0.000000       19.07810 
1 1 1 -26 31 13 o 69.08265 25.46183 159.5856       135.9560 0.000000       0.000000 159.5856       135.9560 ?        ?        69.08265 25.46183 0.000000       25.46183 
1 1 1 -26 31 14 o 52.33692 22.98823 13.47478       135.8871 0.000000       0.000000 13.47478       135.8871 ?        ?        52.33692 22.98823 0.000000       22.98823 
1 1 1 -26 31 15 o 128.7749 21.50306 568.6555       156.6760 0.000000       0.000000 568.6555       156.6760 ?        ?        128.7749 21.50306 0.000000       21.50306 
1 1 1 -26 31 16 o 67.18038 26.43558 140.9359       152.7765 0.000000       0.000000 140.9359       152.7765 ?        ?        67.18038 26.43558 0.000000       26.43558 
1 1 1 -26 31 17 o 56.87486 24.89101 35.63098       158.0234 0.000000       0.000000 35.63098       158.0234 ?        ?        56.87486 24.89101 0.000000       24.89101 
1 1 1 -26 31 18 o 82.27918 28.18266 262.8597       163.7648 0.000000       0.000000 262.8597       163.7648 ?        ?        82.27918 28.18266 0.000000       28.18266 
1 1 1 -26 31 19 o 45.97846 22.27926 -206.4025      185.8765 0.000000       0.000000 -206.4025      185.8765 ?        ?        45.97846 22.27926 0.000000       22.27926 
1 1 1 -26 31 20 o 126.0724 24.77275 580.9830       176.6304 0.000000       0.000000 580.9830       176.6304 ?        ?        126.0724 24.77275 0.000000       24.77275 
1 1 1 -26 31 21 o 57.07643 25.16714 35.75861       164.3332 0.000000       0.000000 35.75861       164.3332 ?        ?        57.07643 25.16714 0.000000       25.16714 
1 1 1 -26 31 22 o 49.45632 22.98266 -60.15295      160.6465 0.000000       0.000000 -60.15295      160.6465 ?        ?        49.45632 22.98266 0.000000       22.98266 
1 1 1 -26 32 1  o 47.46400 22.04229 -79.87975      147.3944 -215.6172      431.8717 -61.98458      156.8097 71.68612 34.54483 50.23595 23.11815 21.45016       41.56674 
1 1 1 -26 32 2  o 50.67421 22.57519 -10.48061      135.6230 -395.2345      448.3397 28.27312       142.2894 67.96771 33.29792 55.17623 23.88894 12.79148       40.98089 
1 1 1 -26 32 3  o 42.20071 19.77506 -90.03578      123.0122 78.41309       439.5879 -104.3473      128.1313 81.80292 38.01553 42.26813 19.92379 39.53479       42.92014 
1 1 1 -26 32 4  o 50.74151 22.38072 1.360622       130.0532 481.6940       444.3991 -43.63008      136.0076 100.4630 42.83364 47.98962 21.87524 52.47340       48.09623 
1 1 1 -26 32 5  o 92.53540 24.29207 305.4032       133.4812 -265.5860      453.3202 359.6090       139.6735 71.24118 34.58430 100.8237 23.97378 -29.58256      42.08106 
1 1 1 -26 32 6  o 50.57259 22.60723 -12.85636      137.2342 0.000000       0.000000 -12.85636      137.2342 ?        ?        50.57259 22.60723 0.000000       22.60723 
1 1 1 -26 32 7  o 75.42779 26.10683 201.1487       140.6503 0.000000       0.000000 201.1487       140.6503 ?        ?        75.42779 26.10683 0.000000       26.10683 
1 1 1 -26 32 8  o 47.68172 21.74659 -42.02069      134.6441 0.000000       0.000000 -42.02069      134.6441 ?        ?        47.68172 21.74659 0.000000       21.74659 
1 1 1 -26 32 9  o 107.4602 25.93266 422.1966       161.5494 0.000000       0.000000 422.1966       161.5494 ?        ?        107.4602 25.93266 0.000000       25.93266 
1 1 1 -26 32 10 o 77.94991 26.98158 220.9166       150.2347 0.000000       0.000000 220.9166       150.2347 ?        ?        77.94991 26.98158 0.000000       26.98158 
1 1 1 -26 32 11 o 52.59095 23.29783 4.908093       142.4173 0.000000       0.000000 4.908093       142.4173 ?        ?        52.59095 23.29783 0.000000       23.29783 
1 1 1 -26 32 12 o 89.93584 25.68356 299.0899       142.1794 0.000000       0.000000 299.0899       142.1794 ?        ?        89.93584 25.68356 0.000000       25.68356 
1 1 1 -26 32 13 o 95.54883 26.46234 342.5093       153.3671 0.000000       0.000000 342.5093       153.3671 ?        ?        95.54883 26.46234 0.000000       26.46234 
1 1 1 -26 32 14 o 126.2043 21.30950 547.5241       152.1137 0.000000       0.000000 547.5241       152.1137 ?        ?        126.2043 21.30950 0.000000       21.30950 
1 1 1 -26 32 15 o 125.4890 23.68286 561.4263       167.9088 0.000000       0.000000 561.4263       167.9088 ?        ?        125.4890 23.68286 0.000000       23.68286 
1 1 1 -26 32 16 f 133.5923 24.40067 643.3951       184.1338 0.000000       0.000000 643.3951       184.1338 ?        ?        133.5923 24.40067 0.000000       24.40067 
1 1 1 -26 32 17 o 67.72787 26.96846 147.0727       160.7522 0.000000       0.000000 147.0727       160.7522 ?        ?        67.72787 26.96846 0.000000       26.96846 
1 1 1 -26 32 18 o 56.06186 25.82536 -34.83007      196.3853 0.000000       0.000000 -34.83007      196.3853 ?        ?        56.06186 25.82536 0.000000       25.82536 
1 1 1 -26 32 19 o 37.99157 19.00031 -391.0894      176.7192 0.000000       0.000000 -391.0894      176.7192 ?        ?        37.99157 19.00031 0.000000       19.00031 
1 1 1 -26 32 20 o 113.3454 28.02818 505.7737       185.2586 0.000000       0.000000 505.7737       185.2586 ?        ?        113.3454 28.02818 0.000000       28.02818 
1 1 1 -26 33 1  o 84.66752 26.65609 263.7926       147.7079 709.5845       438.1657 206.6379       156.8912 113.7137 44.76229 76.38455 27.47078 37.32911       52.51958 
1 1 1 -26 33 2  o 75.88533 26.69721 204.1443       147.4241 403.6801       431.6955 177.8019       156.8539 95.16033 41.40200 72.62569 27.23657 22.53464       49.55760 
1 1 1 -26 33 3  o 71.17776 25.60888 172.6313       136.3609 -135.2871      435.8989 206.0331       143.5665 73.35017 35.18043 76.07887 26.37382 -2.728706      43.96864 
1 1 1 -26 33 4  o 47.66767 21.72931 -41.15401      134.2155 524.7239       451.9836 -95.87737      140.5554 101.1576 43.16572 44.95704 21.08950 56.20055       48.04213 
1 1 1 -26 33 5  o 125.8642 19.95419 530.1599       142.3867 598.8622       473.2496 523.3217       149.3047 104.4820 44.36216 124.0101 21.29583 -19.52810      49.20887 
1 1 1 -26 33 6  o 102.3972 25.37222 381.6169       151.5846 0.000000       0.000000 381.6169       151.5846 ?        ?        102.3972 25.37222 0.000000       25.37222 
1 1 1 -26 33 7  o 53.79002 23.53368 20.11254       141.1630 0.000000       0.000000 20.11254       141.1630 ?        ?        53.79002 23.53368 0.000000       23.53368 
1 1 1 -26 33 8  o 75.84351 27.67873 205.9588       160.0379 0.000000       0.000000 205.9588       160.0379 ?        ?        75.84351 27.67873 0.000000       27.67873 
1 1 1 -26 33 9  o 61.03869 25.27316 87.47257       147.7772 0.000000       0.000000 87.47257       147.7772 ?        ?        61.03869 25.27316 0.000000       25.27316 
1 1 1 -26 33 10 o 78.26089 27.81135 227.1207       160.3127 0.000000       0.000000 227.1207       160.3127 ?        ?        78.26089 27.81135 0.000000       27.81135 
1 1 1 -26 33 11 f 96.70746 27.20448 356.7770       160.7366 0.000000       0.000000 356.7770       160.7366 ?        ?        96.70746 27.20448 0.000000       27.20448 
1 1 1 -26 33 12 o 152.6294 18.62298 772.4438       163.2531 0.000000       0.000000 772.4438       163.2531 ?        ?        152.6294 18.62298 0.000000       18.62298 
1 1 1 -26 33 13 o 52.04550 23.71782 -28.24732      159.7514 0.000000       0.000000 -28.24732      159.7514 ?        ?        52.04550 23.71782 0.000000       23.71782 
1 1 1 -26 33 14 o 188.2486 16.43789 1145.693       179.6613 0.000000       0.000000 1145.693       179.6613 ?        ?        188.2486 16.43789 0.000000       16.43789 
1 1 1 -26 33 15 o 98.30357 28.91476 385.3915       177.7921 0.000000       0.000000 385.3915       177.7921 ?        ?        98.30357 28.91476 0.000000       28.91476 
1 1 1 -26 33 16 o 57.00897 25.96897 -10.36564      191.2639 0.000000       0.000000 -10.36564      191.2639 ?        ?        57.00897 25.96897 0.000000       25.96897 
1 1 1 -26 33 17 o 108.6794 27.30775 457.2222       173.8161 0.000000       0.000000 457.2222       173.8161 ?        ?        108.6794 27.30775 0.000000       27.30775 
1 1 1 -26 34 1  o 43.27010 20.66496 -141.8039      146.9535 62.28563       346.2487 -186.6432      162.2958 74.73434 34.37774 43.65091 21.07022 31.08342       40.32100 
1 1 1 -26 34 2  o 71.27254 26.62163 172.9641       149.5409 183.2829       354.9414 170.7372       164.8895 80.94873 36.25921 71.61407 27.66690 9.334656       45.60908 
1 1 1 -26 34 3  o 103.8075 24.03617 386.1449       143.4467 356.5819       371.9041 391.3117       155.4775 90.81570 38.96305 103.0843 25.78489 -12.26859      46.72237 
1 1 1 -26 34 4  o 100.8401 25.89763 376.1771       153.9490 0.000000       0.000000 376.1771       153.9490 ?        ?        100.8401 25.89763 0.000000       25.89763 
1 1 1 -26 34 5  o 71.25880 27.02047 172.7600       155.3364 -0.7998511     415.6400 200.9372       167.4717 75.40183 35.64535 75.06013 28.14462 0.3417053      45.41708 
1 1 1 -26 34 6  o 82.88065 27.23769 259.4239       153.0996 108.1761       433.1725 281.0146       163.6627 79.89240 37.33028 85.51324 28.16457 -5.620842      46.76316 
1 1 1 -26 34 7  o 67.23992 26.35650 142.6730       151.3577 547.4067       427.8846 84.78603       161.8200 100.2082 42.34826 61.89957 26.09477 38.30862       49.74245 
1 1 1 -26 34 8  o 44.39058 21.35561 -170.2800      163.4324 0.000000       0.000000 -170.2800      163.4324 ?        ?        44.39058 21.35561 0.000000       21.35561 
1 1 1 -26 34 9  o 71.88609 27.62630 178.6573       163.7914 0.000000       0.000000 178.6573       163.7914 ?        ?        71.88609 27.62630 0.000000       27.62630 
1 1 1 -26 34 10 o 123.2044 23.26603 538.4265       161.9519 0.000000       0.000000 538.4265       161.9519 ?        ?        123.2044 23.26603 0.000000       23.26603 
1 1 1 -26 34 11 o 59.83311 26.13264 51.80930       173.4111 0.000000       0.000000 51.80930       173.4111 ?        ?        59.83311 26.13264 0.000000       26.13264 
1 1 1 -26 34 12 o 69.73378 27.47489 161.8186       165.2087 0.000000       0.000000 161.8186       165.2087 ?        ?        69.73378 27.47489 0.000000       27.47489 
1 1 1 -26 34 13 o 51.67287 24.05856 -69.35711      177.3568 0.000000       0.000000 -69.35711      177.3568 ?        ?        51.67287 24.05856 0.000000       24.05856 
1 1 1 -26 34 14 o 72.13913 28.94219 180.0403       186.5609 0.000000       0.000000 180.0403       186.5609 ?        ?        72.13913 28.94219 0.000000       28.94219 
1 1 1 -26 34 15 o 54.22198 24.92411 -31.63031      181.5458 0.000000       0.000000 -31.63031      181.5458 ?        ?        54.22198 24.92411 0.000000       24.92411 
1 1 1 -26 35 1  o 166.3531 15.46253 882.5015       149.1288 679.8842       288.8889 956.1094       174.1225 122.2240 37.07648 171.2319 17.58862 -49.00790      41.03687 
1 1 1 -26 35 2  o 181.7803 16.49726 1064.524       173.9637 0.000000       0.000000 1064.524       173.9637 ?        ?        181.7803 16.49726 0.000000       16.49726 
1 1 1 -26 35 3  o 92.12061 25.41971 314.8643       141.8082 441.4573       264.4491 263.7697       168.0062 98.92149 35.65364 82.83084 28.53912 16.09064       45.66907 
1 1 1 -26 35 4  o 62.13890 25.44551 100.5977       147.6339 464.1068       265.2993 -62.46651      177.6879 101.0680 35.79087 52.46075 24.30707 48.60724       43.26454 
1 1 1 -26 35 5  o 85.15640 27.06401 276.1882       151.9413 137.2355       300.9580 323.7198       176.0206 75.16943 33.54919 90.45110 29.16940 -15.28166      44.45674 
1 1 1 -26 35 6  o 59.47299 25.42439 65.37793       157.3123 146.3849       368.8282 47.36423       173.9260 78.44543 35.85915 59.69162 26.11885 18.75380       44.36297 
1 1 1 -26 35 7  o 51.20588 23.63700 -53.99726      165.7274 0.000000       0.000000 -53.99726      165.7274 ?        ?        51.20588 23.63700 0.000000       23.63700 
1 1 1 -26 35 8  f 48.17265 22.55514 -86.67432      159.4841 -56.00238      408.3075 -92.19630      173.2466 72.13276 34.44832 49.90611 23.41202 22.22665       41.65104 
1 1 1 -26 35 9  o 73.79178 28.06670 196.4406       167.9114 0.000000       0.000000 196.4406       167.9114 ?        ?        73.79178 28.06670 0.000000       28.06670 
1 1 1 -26 35 10 o 54.31298 24.83983 -26.47260      177.2637 0.000000       0.000000 -26.47260      177.2637 ?        ?        54.31298 24.83983 0.000000       24.83983 
1 1 1 -26 35 11 o 73.30630 29.11589 191.5485       186.9136 0.000000       0.000000 191.5485       186.9136 ?        ?        73.30630 29.11589 0.000000       29.11589 
1 1 1 -26 36 1  o 56.42984 23.83757 60.74060       135.4834 42.19113       229.2932 70.69072       167.9344 64.45278 28.98459 60.90768 26.15771 3.545105       39.04270 
1 1 1 -26 36 2  o 113.3080 21.79578 448.4357       139.5802 315.3600       227.9321 528.2828       176.5573 86.79048 32.77139 119.2936 25.97393 -32.50311      41.81637 
1 1 1 -26 36 3  o 78.57888 26.03551 231.1254       139.7877 313.4057       239.5786 188.6552       172.1243 86.25787 33.34266 72.99796 28.24960 13.25991       43.70095 
1 1 1 -26 36 4  o 76.12546 26.70791 216.0363       147.4721 182.7714       267.8687 230.5037       176.6536 75.86864 32.81254 77.84484 28.96237 -1.976204      43.76622 
1 1 1 -25 0  1  o 74.96405 45.18727 184.7746       361.4208 184.7746       361.4208 184.7746       361.4208 74.96405 45.18727 74.96405 45.18727 -0.000000      0.000000 
1 1 1 -25 0  2  o 582.1351 23.36126 10109.51       794.6487 10109.51       794.6487 10109.51       794.6487 582.1351 23.36126 582.1351 23.36126 0.000000       0.000000 
1 1 1 -25 0  3  o 224.1892 31.65956 1589.985       392.3866 1589.985       392.3866 1589.985       392.3866 224.1892 31.65956 224.1892 31.65956 0.000000       0.000000 
1 1 1 -25 0  4  o 147.6644 36.87528 762.3959       276.2805 762.3959       276.2805 762.3959       276.2805 147.6644 36.87528 147.6644 36.87528 0.000000       0.000000 
1 1 1 -25 0  5  o 435.5331 15.49091 5614.692       394.5473 5614.692       394.5473 5614.692       394.5473 435.5331 15.49091 435.5331 15.49091 0.000000       0.000000 
1 1 1 -25 0  6  o 125.1515 40.67944 598.2147       264.1310 598.2147       264.1310 598.2147       264.1310 125.1515 40.67944 125.1515 40.67944 0.000000       0.000000 
1 1 1 -25 0  7  o 128.5501 40.13784 621.4518       265.3339 621.4518       265.3339 621.4518       265.3339 128.5501 40.13784 128.5501 40.13784 0.000000       0.000000 
1 1 1 -25 0  8  o 249.7573 19.43938 1878.163       280.6657 1878.163       280.6657 1878.163       280.6657 249.7573 19.43938 249.7573 19.43938 -0.000000      0.000000 
1 1 1 -25 0  9  o 592.4494 17.01203 10388.74       589.9935 10388.74       589.9935 10388.74       589.9935 592.4494 17.01203 592.4494 17.01203 0.000000       0.000000 
1 1 1 -25 0  10 o 329.0192 17.34750 3223.326       332.6029 3223.326       332.6029 3223.326       332.6029 329.0192 17.34750 329.0192 17.34750 -0.000000      0.000000 
1 1 1 -25 0  11 o 48.62951 32.44798 -72.89173      252.3845 -72.89173      252.3845 -72.89173      252.3845 48.62951 32.44798 48.62951 32.44798 0.000000       0.000000 
1 1 1 -25 0  12 o 55.22571 35.34217 25.15387       256.9883 25.15387       256.9883 25.15387       256.9883 55.22571 35.34217 55.22571 35.34217 0.000000       0.000000 
1 1 1 -25 0  13 o 354.4522 16.56049 3732.314       342.5380 3732.314       342.5380 3732.314       342.5380 354.4522 16.56049 354.4522 16.56049 0.000000       0.000000 
1 1 1 -25 0  14 o 151.6639 35.36225 790.3712       273.4658 790.3712       273.4658 790.3712       273.4658 151.6639 35.36225 151.6639 35.36225 0.000000       0.000000 
1 1 1 -25 0  15 o 192.3241 24.75463 1152.609       266.5275 1152.609       266.5275 1152.609       266.5275 192.3241 24.75463 192.3241 24.75463 0.000000       0.000000 
1 1 1 -25 0  16 o 564.3284 16.36093 9427.139       540.4595 9427.139       540.4595 9427.139       540.4595 564.3284 16.36093 564.3284 16.36093 -0.000000      0.000000 
1 1 1 -25 0  17 o 220.7065 19.58550 1476.295       248.7097 1476.295       248.7097 1476.295       248.7097 220.7065 19.58550 220.7065 19.58550 -0.000000      0.000000 
1 1 1 -25 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  19 o 139.8544 30.46880 661.3543       218.9584 661.3543       218.9584 661.3543       218.9584 139.8544 30.46880 139.8544 30.46880 0.000000       0.000000 
1 1 1 -25 0  20 o 73.19861 37.98542 241.3538       211.1200 241.3538       211.1200 241.3538       211.1200 73.19861 37.98542 73.19861 37.98542 -0.000000      0.000000 
1 1 1 -25 0  21 o 74.98425 37.67277 255.0599       203.6642 255.0599       203.6642 255.0599       203.6642 74.98425 37.67277 74.98425 37.67277 0.000000       0.000000 
1 1 1 -25 0  22 o 55.60738 33.81639 94.43182       206.1845 94.43182       206.1845 94.43182       206.1845 55.60738 33.81639 55.60738 33.81639 -0.000000      0.000000 
1 1 1 -25 0  23 o 349.8044 14.55869 3637.869       297.4954 3637.869       297.4954 3637.869       297.4954 349.8044 14.55869 349.8044 14.55869 -0.000000      0.000000 
1 1 1 -25 0  24 o 161.5392 22.56619 823.8890       201.8503 823.8890       201.8503 823.8890       201.8503 161.5392 22.56619 161.5392 22.56619 -0.000000      0.000000 
1 1 1 -25 0  25 o 110.3957 34.61351 463.8912       196.6597 463.8912       196.6597 463.8912       196.6597 110.3957 34.61351 110.3957 34.61351 -0.000000      0.000000 
1 1 1 -25 0  26 o 269.2378 16.31524 2177.637       255.4314 2177.637       255.4314 2177.637       255.4314 269.2378 16.31524 269.2378 16.31524 -0.000000      0.000000 
1 1 1 -25 0  27 o 188.2969 19.38818 1093.621       208.4578 1093.621       208.4578 1093.621       208.4578 188.2969 19.38818 188.2969 19.38818 -0.000000      0.000000 
1 1 1 -25 0  28 o 320.8493 13.90645 3074.171       260.5572 3074.171       260.5572 3074.171       260.5572 320.8493 13.90645 320.8493 13.90645 -0.000000      0.000000 
1 1 1 -25 0  29 o 237.5386 14.93497 1701.963       206.1524 1701.963       206.1524 1701.963       206.1524 237.5386 14.93497 237.5386 14.93497 0.000000       0.000000 
1 1 1 -25 0  30 o 228.2363 15.23781 1578.362       201.8481 1578.362       201.8481 1578.362       201.8481 228.2363 15.23781 228.2363 15.23781 0.000000       0.000000 
1 1 1 -25 0  31 o 318.7267 13.66539 3048.593       254.3703 3048.593       254.3703 3048.593       254.3703 318.7267 13.66539 318.7267 13.66539 0.000000       0.000000 
1 1 1 -25 0  32 o 224.4276 15.53543 1534.696       202.1907 1534.696       202.1907 1534.696       202.1907 224.4276 15.53543 224.4276 15.53543 -0.000000      0.000000 
1 1 1 -25 0  33 o 90.55329 34.24709 353.1778       170.5119 353.1778       170.5119 353.1778       170.5119 90.55329 34.24709 90.55329 34.24709 0.000000       0.000000 
1 1 1 -25 0  34 o 54.95132 31.23830 140.6459       156.5185 140.6459       156.5185 140.6459       156.5185 54.95132 31.23830 54.95132 31.23830 0.000000       0.000000 
1 1 1 -25 0  35 o 137.9335 22.63473 634.0020       168.3028 634.0020       168.3028 634.0020       168.3028 137.9335 22.63473 137.9335 22.63473 -0.000000      0.000000 
1 1 1 -25 0  36 o 40.51134 26.64067 1.328882       160.3418 1.328882       160.3418 1.328882       160.3418 40.51134 26.64067 40.51134 26.64067 0.000000       0.000000 
1 1 1 -25 0  37 o 33.31782 23.39854 -152.4122      175.5097 -152.4122      175.5097 -152.4122      175.5097 33.31782 23.39854 33.31782 23.39854 -0.000000      0.000000 
1 1 1 -25 0  38 o 41.67868 27.63132 -3.003258      178.1110 -3.003258      178.1110 -3.003258      178.1110 41.67868 27.63132 41.67868 27.63132 0.000000       0.000000 
1 1 1 -25 0  39 o 168.5557 21.72080 937.5089       204.9319 937.5089       204.9319 937.5089       204.9319 168.5557 21.72080 168.5557 21.72080 -0.000000      0.000000 
1 1 1 -25 0  40 o 179.9650 20.69723 1058.194       210.9588 1058.194       210.9588 1058.194       210.9588 179.9650 20.69723 179.9650 20.69723 -0.000000      0.000000 
1 1 1 -25 0  41 o 41.12362 27.86109 -36.81247      199.7491 -36.81247      199.7491 -36.81247      199.7491 41.12362 27.86109 41.12362 27.86109 -0.000000      0.000000 
1 1 1 -25 0  42 o 90.50102 39.69643 429.2566       219.9208 429.2566       219.9208 429.2566       219.9208 90.50102 39.69643 90.50102 39.69643 -0.000000      0.000000 
1 1 1 -25 1  1  o 209.8396 21.96747 1333.147       266.3432 1449.903       369.6268 1207.053       384.1236 216.1611 29.96103 195.0276 34.86309 21.13348       45.96846 
1 1 1 -25 1  2  o 581.1776 16.37066 10034.85       557.4330 10000.61       782.4186 10070.14       794.3762 576.4391 23.19117 578.2618 23.47225 -1.822632      32.99662 
1 1 1 -25 1  3  o 633.7762 17.03287 11945.51       632.5290 12050.78       897.2249 11841.50       891.8613 632.0568 24.24940 626.4865 24.31984 5.570251       34.34368 
1 1 1 -25 1  4  o 413.3340 12.43343 5050.473       301.0570 4569.947       473.9326 5375.548       389.8078 390.3340 20.77769 425.4496 15.64922 -35.11557      26.01173 
1 1 1 -25 1  5  o 261.1708 13.33769 2022.021       203.6176 1885.235       281.6331 2171.826       294.7306 250.6654 19.30614 269.3016 18.77870 -18.63615      26.93263 
1 1 1 -25 1  6  o 232.9115 18.74688 1627.009       253.9155 1778.979       356.1517 1469.918       362.1037 241.3982 25.54356 217.9111 29.05724 23.48712       38.68846 
1 1 1 -25 1  7  o 209.9194 15.92603 1314.916       194.6067 1390.830       275.2665 1239.059       275.1644 214.2253 22.23237 201.6165 23.72462 12.60884       32.51363 
1 1 1 -25 1  8  o 167.2490 19.20297 844.9150       184.9444 864.3002       258.7708 824.6738       264.4225 166.7850 27.40606 162.3737 28.82286 4.411255       39.77247 
1 1 1 -25 1  9  o 245.2309 14.48493 1787.115       207.3974 1438.452       286.9322 2168.567       300.1205 217.6985 22.81200 268.9558 19.15204 -51.25735      29.78570 
1 1 1 -25 1  10 o 110.0949 28.96342 382.9028       189.4918 427.1912       258.8872 331.7941       278.1077 116.3912 35.05383 106.5330 36.71793 9.858215       50.76394 
1 1 1 -25 1  11 o 321.3878 12.14357 3054.450       228.4781 3074.421       319.1770 3033.462       327.2063 321.1533 17.00669 318.8278 17.56696 2.325439       24.45047 
1 1 1 -25 1  12 o 469.3720 11.45954 6501.001       315.4532 6288.701       439.1034 6727.432       453.4805 459.8956 16.30590 475.6969 16.27864 -15.80136      23.04076 
1 1 1 -25 1  13 o 144.1766 23.86043 641.3789       194.7040 592.9412       272.2671 692.0765       278.5463 135.8649 34.19901 147.1390 33.08449 -11.27405      47.58315 
1 1 1 -25 1  14 o 297.7462 12.70176 2624.883       221.2900 2643.911       309.3263 2604.937       316.7068 297.4532 17.81319 295.0632 18.39319 2.389984       25.60506 
1 1 1 -25 1  15 o 434.6579 11.25260 5579.033       286.6063 5548.509       405.6157 5609.470       405.0299 431.9149 16.04062 434.3269 15.92781 -2.412079      22.60523 
1 1 1 -25 1  16 o 504.2531 11.13765 7504.540       329.3766 7592.047       470.1713 7420.206       461.5655 505.2649 15.88644 499.5577 15.77400 5.707214       22.38745 
1 1 1 -25 1  17 o 343.0392 10.87899 3476.529       218.5916 3266.419       304.5987 3699.640       313.8807 331.1553 15.72856 352.6498 15.21224 -21.49454      21.88149 
1 1 1 -25 1  18 o 301.2158 11.30566 2684.131       199.3667 2356.953       275.6530 3042.995       288.6930 280.7182 16.82047 319.5580 15.44987 -38.83972      22.83915 
1 1 1 -25 1  19 o 234.7432 12.43365 1635.749       170.5652 1521.625       233.1124 1767.246       250.2272 224.9344 17.81633 242.5418 17.71341 -17.60736      25.12342 
1 1 1 -25 1  20 o 108.8240 24.30491 374.0642       151.1986 519.2583       212.4917 225.1619       215.1880 127.2098 29.11313 89.82469 32.18830 37.38509       43.40116 
1 1 1 -25 1  21 o 64.16481 25.39715 76.23791       141.7551 224.5341       197.1571 -82.46872      203.9599 88.16636 30.88484 60.48792 27.25733 27.67844       41.19267 
1 1 1 -25 1  22 o 161.9430 16.09468 791.6874       150.8395 745.9005       204.3205 846.5338       223.6224 154.7932 23.22219 164.8530 23.81940 -10.05981      33.26611 
1 1 1 -25 1  23 o 147.6141 16.72776 661.4137       142.2661 732.2512       197.9672 585.7607       204.5854 153.3630 22.69430 135.3748 26.71734 17.98820       35.05492 
1 1 1 -25 1  24 o 291.8134 10.64153 2524.969       181.8159 2584.379       257.6699 2466.056       256.5867 293.6389 15.01216 286.6944 15.31593 6.944519       21.44628 
1 1 1 -25 1  25 o 45.67825 21.01558 -87.23610      129.4724 -12.61220      174.1374 -179.4824      193.6098 60.18091 26.23766 52.48368 24.66179 7.697224       36.00859 
1 1 1 -25 1  26 o 95.77795 25.01456 296.6626       142.0155 321.0073       198.9038 271.3462       202.8343 99.21793 30.88822 92.95860 31.37187 6.259331       44.02586 
1 1 1 -25 1  27 o 349.1688 10.16868 3620.599       208.0116 3573.751       292.1734 3668.753       296.2138 344.6835 14.48568 349.2374 14.49369 -4.553864      20.49151 
1 1 1 -25 1  28 o 322.9116 10.00324 3101.298       189.2128 2900.642       258.8235 3331.635       277.3063 310.0257 14.27323 332.3097 14.26193 -22.28397      20.17741 
1 1 1 -25 1  29 o 106.0613 19.58907 358.5113       117.3613 372.9721       164.1365 343.3843       167.8746 105.2628 26.58509 100.6600 27.61080 4.602783       38.32915 
1 1 1 -25 1  30 o 47.45179 20.85588 -12.87396      112.0110 196.1485       165.5046 -189.5287      152.1515 79.04792 28.24015 43.20255 20.73770 35.84538       35.03653 
1 1 1 -25 1  31 o 158.7820 13.60610 770.7133       125.4824 740.3525       180.7513 798.9585       174.3401 151.5738 20.88803 158.6517 19.12226 -7.077911      28.31908 
1 1 1 -25 1  32 o 258.3643 10.19721 2003.112       154.2092 1974.896       220.9373 2029.917       215.3400 253.2588 14.94128 257.2617 14.32908 -4.002884      20.70180 
1 1 1 -25 1  33 o 55.47139 22.48637 60.61768       113.8999 302.0011       167.5579 -146.7338      155.2976 92.01838 28.30009 45.53447 21.60309 46.48391       35.60321 
1 1 1 -25 1  34 o 55.49545 22.76024 58.26627       118.3493 21.49429       163.2471 99.00399       171.8245 58.18793 25.38576 66.34792 27.34028 -8.159988      37.30855 
1 1 1 -25 1  35 o 40.60560 19.05870 -91.49051      115.0609 -58.63588      160.0240 -126.6570      165.5585 51.19209 23.48292 47.87744 22.59214 3.314644       32.58607 
1 1 1 -25 1  36 o 54.87962 22.74072 56.35078       119.7748 122.5642       172.4407 -5.371942      166.4904 67.72643 27.58874 55.70468 24.90108 12.02176       37.16453 
1 1 1 -25 1  37 o 166.8890 14.31850 874.4553       138.7913 980.5149       200.5485 776.9672       192.2738 171.2911 20.36135 150.3681 22.49286 20.92299       30.33997 
1 1 1 -25 1  38 o 68.75831 24.99516 161.1772       130.3288 195.3996       182.6139 125.6510       186.0599 74.72924 29.04848 67.87353 28.25257 6.855713       40.52187 
1 1 1 -25 1  39 o 175.3774 13.74327 967.2300       140.2276 819.0806       187.6502 1154.587       211.0251 154.3717 21.29326 185.3890 19.71063 -31.01724      29.01571 
1 1 1 -25 1  40 o 123.4401 19.44582 517.2219       136.1245 519.2629       190.1473 515.0761       194.9611 114.9846 28.37321 113.6219 29.12469 1.362701       40.66062 
1 1 1 -25 1  41 o 55.06184 23.75014 48.69983       139.5995 -61.42949      197.5795 158.4822       197.2680 54.14296 25.27000 69.82683 29.08040 -15.68387      38.52587 
1 1 1 -25 1  42 o 105.5581 24.10734 414.4173       145.9571 419.0268       209.1404 410.0404       203.7925 97.30553 31.82674 96.75755 31.40143 0.5479736      44.71008 
1 1 1 -25 2  1  o 595.7144 16.47823 10544.00       575.1509 10530.70       804.4087 10557.91       822.6713 591.5440 23.23189 591.9721 23.74415 -0.4281006     33.21905 
1 1 1 -25 2  2  o 679.8344 17.80614 13760.36       709.3317 13942.33       1007.815 13581.71       998.5419 679.0916 25.34925 670.1583 25.45238 8.933289       35.92225 
1 1 1 -25 2  3  o 397.3743 12.75929 4670.150       296.9706 4190.681       470.8432 4986.888       382.6891 373.4266 21.59118 409.6685 15.95859 -36.24191      26.84875 
1 1 1 -25 2  4  o 1220.849 43.38750 47597.71       3101.603 0.000000       0.000000 47597.71       3101.603 ?        ?        1220.849 43.38750 0.000000       43.38750 
1 1 1 -25 2  5  o 409.1697 15.35077 4970.485       367.7167 4853.659       497.0787 5111.688       546.4851 402.1135 21.15223 411.9730 22.70606 -9.859558      31.03195 
1 1 1 -25 2  6  o 200.6823 16.83699 1204.789       196.3383 1226.251       269.5140 1180.520       286.6016 200.6910 23.33280 196.1668 25.51571 4.524139       34.57559 
1 1 1 -25 2  7  o 62.82096 26.97733 -2.474596      178.5976 -143.4529      241.1172 168.8947       265.8388 63.47627 29.00776 89.71375 34.99846 -26.23748      45.45704 
1 1 1 -25 2  8  f 224.4922 15.19954 1500.624       198.9363 1653.481       273.2870 1328.325       290.1463 234.4202 20.07098 208.6935 24.15119 25.72673       31.40261 
1 1 1 -25 2  9  o 88.69986 29.74607 229.1404       182.3691 303.9347       249.0256 142.6329       267.8162 101.8948 34.75687 87.59073 34.83169 14.30405       49.20657 
1 1 1 -25 2  10 o 398.7809 11.30479 4695.366       264.1246 4892.271       371.8566 4494.878       375.2234 405.8003 15.65409 388.6643 16.49886 17.13599       22.74341 
1 1 1 -25 2  11 o 59.62935 26.38674 -49.56935      182.1938 -54.90403      244.9380 -42.96181      272.5974 69.50006 30.68195 74.27758 32.59445 -4.777519      44.76361 
1 1 1 -25 2  12 f 316.9519 12.49075 2972.349       231.7294 2680.337       307.6157 3355.468       352.3504 299.6277 17.58284 335.2225 17.98806 -35.59482      25.15405 
1 1 1 -25 2  13 o 299.8553 12.75346 2661.953       223.7678 2818.511       316.8529 2506.178       316.0594 307.2418 17.65876 289.3347 18.72651 17.90714       25.73934 
1 1 1 -25 2  14 o 288.5551 12.90491 2466.446       217.8382 2788.655       308.7394 2147.017       307.4044 305.6689 17.29280 267.3449 19.74528 38.32401       26.24723 
1 1 1 -25 2  15 o 344.8973 11.46647 3515.133       231.6146 3330.450       320.0789 3718.132       335.5754 334.3698 16.37200 353.3825 16.23516 -19.01270      23.05694 
1 1 1 -25 2  16 o 346.3685 11.23474 3544.975       227.9171 3566.178       318.3021 3522.665       326.5013 346.1494 15.72029 343.8580 16.23617 2.291412       22.59957 
1 1 1 -25 2  17 o 322.3306 11.31725 3071.909       213.6085 2930.946       296.3997 3224.238       308.1170 313.4932 16.17597 328.8936 16.02206 -15.40036      22.76771 
1 1 1 -25 2  18 o 439.0968 17.38786 5762.739       446.8865 5862.488       648.0386 5672.292       617.0831 438.2985 25.31819 431.6603 24.47565 6.638184       35.21460 
1 1 1 -25 2  19 o 202.5429 14.10553 1223.505       166.5078 1203.707       226.0406 1246.994       246.2046 199.3519 19.58633 202.4501 21.04278 -3.098145      28.74757 
1 1 1 -25 2  20 o 333.3990 10.72735 3288.007       209.4796 3505.749       294.6872 3065.588       297.8356 342.9873 14.68382 320.2437 15.90769 22.74356       21.64876 
1 1 1 -25 2  21 o 79.71248 26.58576 188.4570       145.7042 386.7164       199.3544 -38.90258      213.4841 109.4277 30.11732 65.00883 28.67406 44.41891       41.58431 
1 1 1 -25 2  22 o 112.5881 22.64862 398.9730       144.3630 484.7188       194.1054 292.8330       215.9588 122.7723 27.62750 97.30627 32.36449 25.46608       42.55278 
1 1 1 -25 2  23 o 240.6669 11.55696 1721.075       162.6445 1607.400       222.4885 1851.546       238.3588 230.9726 16.53403 247.9910 16.48224 -17.01843      23.34606 
1 1 1 -25 2  24 o 83.61583 25.13960 219.7972       133.2382 261.2671       188.4289 178.3286       188.4257 91.71850 30.22110 81.39061 29.97910 10.32789       42.56831 
1 1 1 -25 2  25 o 191.3258 14.05334 1098.886       156.5896 1091.054       213.1727 1108.065       230.7754 188.6293 19.55281 189.4281 21.13227 -0.7987976     28.79037 
1 1 1 -25 2  26 o 231.1667 11.99547 1594.527       162.0709 1657.221       231.0401 1533.789       227.4087 233.6913 16.97323 224.5841 17.40110 9.107269       24.30820 
1 1 1 -25 2  27 o 57.53522 23.59568 46.49977       127.1893 87.87898       176.6829 1.991154       183.2422 69.28304 28.03486 62.34241 27.05009 6.940624       38.95717 
1 1 1 -25 2  28 o 271.7144 10.38569 2199.461       165.1955 2289.184       232.5904 2108.128       234.6669 275.2030 14.46155 263.6306 15.24267 11.57236       21.01132 
1 1 1 -25 2  29 o 390.4706 9.782745 4540.117       223.8502 4500.990       315.5707 4579.744       317.5829 385.7436 13.97222 389.1364 13.93820 -3.392822      19.73566 
1 1 1 -25 2  30 o 332.6332 9.689598 3301.131       188.8247 3580.981       277.6908 3060.450       257.5248 343.4474 13.81459 317.4263 13.86675 26.02112       19.57370 
1 1 1 -25 2  31 o 207.7393 11.26147 1300.207       136.6902 1199.775       188.2212 1412.283       198.8335 196.5671 16.47856 213.7039 15.98021 -17.13676      22.95452 
1 1 1 -25 2  32 o 144.2191 15.17109 645.4200       126.3993 631.4230       171.0779 662.2455       187.5693 138.8228 21.72455 141.0219 23.50599 -2.199188      32.00762 
1 1 1 -25 2  33 o 92.17372 22.29130 286.8046       119.1694 340.2632       162.5963 224.7607       175.1668 97.87111 27.30021 81.44347 29.05759 16.42764       39.87036 
1 1 1 -25 2  34 o 62.39768 23.45034 112.1952       116.4071 278.3092       161.0423 -69.56695      168.4569 87.94313 27.85230 52.12460 23.97783 35.81853       36.75170 
1 1 1 -25 2  35 o 116.5979 17.85775 440.5368       118.2320 473.9762       163.1443 403.5475       171.5855 116.3041 24.68282 104.9550 27.53691 11.34906       36.98004 
1 1 1 -25 2  36 o 116.9543 17.77626 445.0673       118.0957 570.0213       177.3405 345.5028       158.3015 127.3040 24.64357 96.83833 26.90943 30.46568       36.48867 
1 1 1 -25 2  37 o 50.64771 22.20166 10.19628       126.1741 -237.1677      194.3426 190.4328       165.8904 46.57794 22.61908 74.23688 27.97393 -27.65894      35.97448 
1 1 1 -25 2  38 f 93.04349 23.48182 310.9839       128.1203 185.6467       186.0780 423.9639       176.6671 73.75970 29.12841 104.9701 28.12930 -31.21035      40.49348 
1 1 1 -25 2  39 o 93.46057 22.78536 313.0554       123.7449 255.2223       167.8314 381.9482       183.1772 81.19364 28.49146 97.45925 29.51508 -16.26561      41.02320 
1 1 1 -25 2  40 o 70.23101 25.28354 177.1986       132.9417 139.6828       180.2054 221.9968       196.9205 67.69715 27.95787 76.49986 30.03997 -8.802711      41.03709 
1 1 1 -25 2  41 o 113.3653 24.20501 473.4873       156.0331 517.9912       228.1139 434.3569       213.8996 108.0149 32.98293 99.39448 32.16385 8.620384       46.06937 
1 1 1 -25 2  42 o 50.65215 22.86523 -6.310182      144.2548 8.168464       204.7358 -20.58451      203.2861 58.66132 26.77784 56.78077 26.19910 1.880550       37.46259 
1 1 1 -25 3  1  o 336.0702 16.34950 3360.299       321.2771 3337.859       432.5748 3387.906       479.7943 332.9038 22.28437 334.4314 24.63521 -1.527649      33.21877 
1 1 1 -25 3  2  o 642.6803 17.12474 12284.62       644.8851 12295.44       897.8766 12273.09       926.8224 638.6464 24.01486 637.4604 24.83846 1.185913       34.54942 
1 1 1 -25 3  3  o 763.9288 15.73137 17310.13       704.8068 16408.44       1153.389 17847.49       890.3879 735.4185 26.78655 772.9941 19.65645 -37.57562      33.22491 
1 1 1 -25 3  4  o 638.0464 25.17705 12308.91       940.2737 0.000000       0.000000 12308.91       940.2737 ?        ?        638.0464 25.17705 0.000000       25.17705 
1 1 1 -25 3  5  o 366.0087 15.14480 3977.147       324.3891 3807.722       430.0763 4200.736       494.0613 356.2272 20.67465 373.3718 22.66940 -17.14462      30.68131 
1 1 1 -25 3  6  o 244.9432 18.29648 1796.519       260.9363 1773.460       338.3297 1830.370       409.9328 241.5033 24.21354 243.4311 29.30204 -1.927780      38.01191 
1 1 1 -25 3  7  f 97.50903 29.80895 292.8922       186.2540 225.7251       247.5603 380.5033       282.7366 93.45316 34.37299 111.9281 37.02520 -18.47489      50.52097 
1 1 1 -25 3  8  o 226.5957 15.26744 1528.951       201.7093 1472.457       273.1257 1596.732       299.1699 220.7436 21.36388 229.5864 22.50775 -8.842743      31.03247 
1 1 1 -25 3  9  o 213.3978 15.68322 1357.996       194.9088 1360.800       267.1837 1354.806       284.9597 211.9971 21.80001 211.0199 23.41942 0.9772034      31.99546 
1 1 1 -25 3  10 f 322.3165 12.26507 3072.549       231.4249 3146.304       317.3301 2988.754       338.2379 324.9950 16.70490 316.2321 18.31590 8.762817       24.78963 
1 1 1 -25 3  11 o 456.0982 11.44566 6142.032       305.9189 6007.328       424.8995 6287.011       440.8082 449.5503 16.14221 459.8202 16.37211 -10.26993      22.99167 
1 1 1 -25 3  12 o 203.5356 16.71691 1238.974       197.7906 1166.177       260.6089 1337.874       303.7595 195.6687 23.15840 209.0428 25.29029 -13.37413      34.29154 
1 1 1 -25 3  13 o 387.8595 11.69132 4444.440       265.6394 4502.184       369.4942 4382.669       382.1680 389.0369 16.23010 383.5536 17.03186 5.483307       23.52659 
1 1 1 -25 3  14 o 207.2516 16.35058 1283.801       197.1295 1292.757       270.1495 1273.600       288.3015 206.2008 22.71485 204.0373 24.58782 2.163452       33.47425 
1 1 1 -25 3  15 f 197.0226 16.70811 1162.321       191.2419 1041.425       260.4029 1303.873       281.7733 184.1267 24.73999 206.7162 23.66832 -22.58954      34.23823 
1 1 1 -25 3  16 o 170.1417 17.23193 870.5716       169.5789 972.2648       226.0708 739.7321       256.4294 178.5572 22.05663 153.0029 29.64791 25.55429       36.95258 
1 1 1 -25 3  17 o 432.9673 13.72970 5560.405       348.1907 5100.490       455.5779 6206.399       539.9307 412.5591 18.87898 454.4194 20.31092 -41.86026      27.72993 
1 1 1 -25 3  18 o 116.1154 23.19351 421.2474       152.4144 420.1984       198.0202 422.7721       238.7381 114.6697 29.33074 114.8559 33.42957 -0.1862488     44.47278 
1 1 1 -25 3  19 f 278.6237 11.53964 2299.325       188.1567 2222.671       254.5993 2391.575       279.3001 272.6844 15.99030 282.5679 16.93145 -9.883575      23.28870 
1 1 1 -25 3  20 o 330.1367 10.79635 3224.789       208.7550 3076.787       282.8022 3401.988       309.4414 321.1084 15.05885 337.4439 15.67888 -16.33554      21.73928 
1 1 1 -25 3  21 o 71.88871 25.89575 138.1360       139.4821 159.8601       179.4679 104.9963       221.6619 78.82602 29.21768 77.82579 31.43368 1.000229       42.91560 
1 1 1 -25 3  22 o 70.81789 25.95706 129.9847       140.9786 199.8980       187.9717 40.09667       213.1393 84.25308 30.09638 70.88662 29.91919 13.36646       42.43760 
1 1 1 -25 3  23 o 209.0685 12.54968 1303.067       153.1680 1345.820       206.1266 1250.354       228.8802 211.1424 16.78395 202.4494 19.51877 8.692947       25.74264 
1 1 1 -25 3  24 o 236.8804 11.73302 1669.330       162.4935 1728.241       219.5510 1597.972       241.6339 239.6937 15.70460 229.4960 18.09921 10.19769       23.96280 
1 1 1 -25 3  25 o 46.58491 21.44099 -90.74319      134.9494 -101.0746      183.3911 -78.54232      199.2939 55.26516 25.27160 59.45940 26.85503 -4.194241      36.87609 
1 1 1 -25 3  26 o 175.9154 14.52052 933.4495       148.4756 775.8923       215.3684 1076.160       204.9698 156.3914 24.26711 187.2266 18.92649 -30.83519      30.77506 
1 1 1 -25 3  27 o 80.22729 24.88163 204.2013       129.2028 300.4923       179.0750 99.65009       186.5979 95.64190 29.22703 71.65722 28.87658 23.98468       41.08620 
1 1 1 -25 3  28 o 256.4035 10.70247 1961.344       160.5842 1988.037       225.3844 1933.822       228.8559 256.0134 15.07780 252.2237 15.54682 3.789688       21.65741 
1 1 1 -25 3  29 o 295.5523 10.13632 2605.930       175.4373 2566.552       241.8259 2649.682       254.9019 290.9241 14.21640 295.2244 14.76902 -4.300293      20.49951 
1 1 1 -25 3  30 o 61.62475 23.39148 98.30885       116.4858 153.3110       161.7629 39.06910       167.8787 73.30275 27.62334 61.84756 26.34671 11.45519       38.17326 
1 1 1 -25 3  31 o 375.8261 9.782435 4222.402       215.4344 4326.019       306.2109 4120.844       303.1527 376.7981 13.88047 367.5331 14.09028 9.265076       19.77887 
1 1 1 -25 3  32 o 75.63534 24.09939 190.2210       120.4137 250.1780       171.4471 131.8548       169.1573 85.22592 28.84237 70.52895 27.79726 14.69697       40.05709 
1 1 1 -25 3  33 o 94.44772 22.28744 301.1267       121.4490 206.4936       172.2399 394.7013       171.2739 78.98673 28.73134 105.2905 27.45688 -26.30373      39.74129 
1 1 1 -25 3  34 o 53.63154 22.26808 47.14824       115.1700 3.384171       169.3364 84.81644       157.1009 57.46716 25.43387 63.27258 26.11478 -5.805420      36.45358 
1 1 1 -25 3  35 o 101.6274 21.33388 349.8658       123.0967 181.4613       175.7917 511.8857       172.4272 74.76536 28.64898 120.5412 25.20271 -45.77584      38.15680 
1 1 1 -25 3  36 o 54.51938 22.50851 57.22063       116.7528 43.85883       169.4653 69.29290       161.0804 60.00388 26.02451 61.32575 25.95303 -1.321877      36.75371 
1 1 1 -25 3  37 o 60.29591 24.19227 94.62825       130.3589 2.476009       198.7035 164.2596       172.7249 59.77193 26.92196 71.45484 28.11128 -11.68291      38.92347 
1 1 1 -25 3  38 o 89.64465 24.19406 292.5591       130.1292 418.0382       182.4620 162.6707       185.6402 103.3238 28.95595 71.31423 28.77969 32.00955       40.82545 
1 1 1 -25 3  39 o 121.8202 18.50474 495.1823       128.0538 590.2075       171.7937 376.3744       192.0925 128.5569 23.65712 95.80528 30.42842 32.75160       38.54280 
1 1 1 -25 3  40 o 87.01871 24.83402 284.4747       132.9724 333.1579       180.9688 227.3471       196.0366 90.11552 29.61307 76.98348 30.04803 13.13204       42.18789 
1 1 1 -25 3  41 o 85.42722 27.41039 290.0169       155.5660 345.5110       230.7993 243.8140       210.5937 87.92580 33.02514 78.11642 30.94405 9.809380       45.25698 
1 1 1 -25 3  42 o 107.3600 24.87960 434.8924       153.5844 555.6793       223.8685 327.4947       211.0962 112.4215 32.26737 86.16340 31.73234 26.25812       45.25621 
1 1 1 -25 4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 4  2  o 415.1929 12.50691 5096.080       304.1971 4934.019       476.9711 5207.193       394.9442 405.9503 20.09652 418.5900 16.11791 -12.63971      25.76155 
1 1 1 -25 4  3  o 302.4406 13.71653 2711.118       242.6626 2702.159       374.2769 2717.615       318.7301 299.6593 21.43845 301.6207 18.10149 -1.961456      28.05836 
1 1 1 -25 4  4  o 251.0226 15.35094 1874.815       224.9141 1373.357       327.6608 2321.611       309.2870 211.2940 27.06200 278.4051 19.05728 -67.11113      33.09882 
1 1 1 -25 4  5  o 372.8494 15.00833 4125.980       327.5126 3630.373       417.7270 4916.698       527.6364 347.8524 20.56789 404.1967 22.34522 -56.34427      30.37017 
1 1 1 -25 4  6  o 127.8352 28.60799 515.8210       209.1163 409.9285       299.7799 616.1852       291.8496 115.7305 38.11800 138.3038 35.72922 -22.57327      52.24518 
1 1 1 -25 4  7  o 283.5847 13.24384 2382.811       219.6575 2519.266       298.7978 2222.349       324.0180 290.4734 17.62254 271.8916 20.47029 18.58173       27.01086 
1 1 1 -25 4  8  o 92.91028 29.62626 260.6865       181.9495 265.4390       240.9502 254.3808       277.5434 97.14280 34.13435 98.74449 36.38201 -1.601692      49.88792 
1 1 1 -25 4  9  o 356.6292 11.58355 3757.164       241.9539 3850.435       334.4581 3654.759       350.4508 359.8762 15.88582 350.2088 17.11459 9.667389       23.35098 
1 1 1 -25 4  10 o 499.7226 11.44295 7368.424       335.3650 7431.687       474.1608 7305.100       474.3946 500.0645 16.18907 495.7214 16.33975 4.343109       23.00159 
1 1 1 -25 4  11 o 166.7157 20.10200 841.9614       192.5847 1123.744       251.3238 441.1533       299.7401 192.1684 22.73991 118.9538 38.03565 73.21458       44.31495 
1 1 1 -25 4  12 o 472.7513 11.57970 6595.841       321.0558 6669.053       453.9183 6522.550       454.1646 473.5891 16.36736 468.2745 16.56329 5.314606       23.28590 
1 1 1 -25 4  13 o 206.3362 17.04604 1274.324       204.4377 1217.882       266.8218 1354.565       318.1379 199.9675 23.18048 209.9115 26.42652 -9.943954      35.15247 
1 1 1 -25 4  14 o 324.6081 12.28482 3117.439       233.4502 3359.547       329.9489 2874.745       330.3484 335.7193 16.81140 310.0331 18.24899 25.68625       24.81227 
1 1 1 -25 4  15 o 336.1413 11.75565 3340.827       231.3930 3256.565       315.9424 3438.320       339.8411 330.6015 16.34562 339.4634 17.12527 -8.861908      23.67391 
1 1 1 -25 4  16 o 411.5430 10.89895 5001.572       262.8258 4664.367       354.9113 5411.054       391.1023 396.0627 15.30819 426.4941 15.66264 -30.43137      21.90112 
1 1 1 -25 4  17 o 657.9600 17.67629 12929.18       681.4713 0.000000       0.000000 12929.18       681.4713 ?        ?        657.9600 17.67629 0.000000       17.67629 
1 1 1 -25 4  18 o 229.5574 14.22850 1569.840       190.6168 1178.764       266.2478 1981.081       273.0256 195.9578 23.64456 256.7523 18.25067 -60.79454      29.86892 
1 1 1 -25 4  19 o 248.9529 12.14383 1838.780       176.7711 2004.108       234.7879 1622.417       268.5926 258.9941 15.52867 231.4890 19.97930 27.50519       25.30438 
1 1 1 -25 4  20 o 135.0229 19.73427 559.6044       151.6559 440.6474       192.9076 752.0897       245.3879 117.1339 28.38251 153.8750 28.23166 -36.74103      40.03241 
1 1 1 -25 4  21 o 43.99770 20.80069 -154.6803      141.5770 -104.8673      178.0638 -240.2915      233.4370 54.42434 24.89267 56.54458 26.72558 -2.120239      36.52262 
1 1 1 -25 4  22 o 232.6042 12.46419 1610.605       169.4116 1617.010       223.9259 1602.032       259.0656 231.7473 16.58517 229.5664 19.42416 2.180893       25.54146 
1 1 1 -25 4  23 o 62.65081 24.52128 79.14243       130.8505 107.8769       174.1171 41.85624       198.3416 71.95608 28.24973 68.78152 28.93680 3.174561       40.43990 
1 1 1 -25 4  24 o 151.0496 15.99930 691.3692       139.5809 511.3822       185.4541 926.5507       211.9910 126.3300 25.90146 173.1406 21.32718 -46.81068      33.55197 
1 1 1 -25 4  25 o 180.1757 14.33844 976.6231       150.2637 800.8234       205.1991 1179.896       220.6513 160.0663 22.47720 196.1836 19.43262 -36.11734      29.71282 
1 1 1 -25 4  26 f 184.9815 13.81876 1029.252       148.8327 880.5052       198.5890 1219.859       224.8023 168.4543 20.52441 199.1085 19.50112 -30.65421      28.31157 
1 1 1 -25 4  27 o 182.9536 13.32675 1007.410       142.0127 869.1430       197.3571 1155.876       204.5061 166.8946 20.59998 193.9708 18.18929 -27.07613      27.48108 
1 1 1 -25 4  28 o 266.2588 10.49114 2114.149       163.5032 2080.064       232.2005 2147.670       230.2684 261.7237 15.19290 266.1820 14.80882 -4.458252      21.21616 
1 1 1 -25 4  29 o 261.8057 10.51082 2048.860       161.0581 1969.082       219.8065 2141.347       236.6680 254.2889 14.80282 264.8797 15.30004 -10.59073      21.28884 
1 1 1 -25 4  30 o 85.05238 23.28752 240.9170       119.5429 52.08448       170.5526 423.2774       167.6043 63.34946 26.75220 111.5684 26.08439 -48.21894      37.36409 
1 1 1 -25 4  31 o 362.3059 9.795339 3925.343       207.9442 3980.354       297.7084 3872.935       290.5762 361.1295 14.08351 356.3681 13.92990 4.761414       19.80877 
1 1 1 -25 4  32 o 96.07927 22.01106 308.4535       121.3602 340.8203       171.7396 276.1697       171.5190 97.94628 28.30807 88.72584 28.80888 9.220444       40.38934 
1 1 1 -25 4  33 o 104.5103 20.44847 360.4780       120.8441 336.3640       170.0465 385.0820       171.7652 96.67867 28.23447 103.7207 27.71038 -7.041992      39.56071 
1 1 1 -25 4  34 o 84.01646 23.66647 245.0003       121.5611 251.2059       173.0562 238.9560       170.7928 83.81855 28.96111 82.20039 28.74932 1.618156       40.80771 
1 1 1 -25 4  35 o 45.73905 20.63445 -31.23313      117.2671 -61.29528      174.6891 -6.574080      158.2136 53.21149 24.45569 54.68956 24.37228 -1.478077      34.52664 
1 1 1 -25 4  36 o 50.07232 21.49482 23.11063       113.3047 97.40803       158.0136 -55.52105      162.5573 63.74142 26.23742 51.44136 23.62342 12.30005       35.30536 
1 1 1 -25 4  37 o 53.59286 22.47135 49.61543       118.9883 -47.78860      169.9889 143.1875       166.6116 52.69352 24.18328 68.73565 27.42716 -16.04213      36.56611 
1 1 1 -25 4  38 o 51.33255 22.23895 25.12041       123.4708 -22.41897      175.3986 71.81873       173.8401 54.74900 24.91195 61.83906 26.58650 -7.090054      36.43415 
1 1 1 -25 4  39 o 67.18479 24.27433 155.2988       122.6741 86.95335       161.3394 248.9590       188.8701 61.65517 26.02727 80.01867 29.91226 -18.36349      39.65049 
1 1 1 -25 4  40 o 114.0844 21.84239 459.1451       140.8220 436.7651       186.5038 488.8261       214.7811 103.7155 29.34860 106.8837 31.86812 -3.168236      43.32341 
1 1 1 -25 4  41 o 108.2685 24.52934 436.0278       152.1334 551.7504       211.6849 312.4072       218.7892 114.8112 30.80210 84.90058 32.09631 29.91061       44.48530 
1 1 1 -25 4  42 o 88.04192 26.69910 307.9729       149.8213 457.1184       219.4610 177.7936       205.0328 100.5121 32.58362 71.17847 29.64557 29.33358       44.05170 
1 1 1 -25 5  1  o 532.3625 12.90268 8374.196       402.8449 8686.129       670.0364 8197.608       504.1375 538.3008 21.26563 525.2549 16.38551 13.04584       26.84608 
1 1 1 -25 5  2  o 814.4815 16.51058 19697.67       788.6677 19752.06       1344.912 19669.17       973.6450 805.2894 28.52186 810.9331 20.48864 -5.643738      35.11810 
1 1 1 -25 5  3  o 386.2766 12.72417 4412.917       287.8626 4177.808       440.9438 4587.542       380.0157 373.4175 20.20968 392.7123 16.53673 -19.29483      26.11311 
1 1 1 -25 5  4  o 1042.781 36.87107 33939.36       2251.362 0.000000       0.000000 33939.36       2251.362 ?        ?        1042.781 36.87107 0.000000       36.87107 
1 1 1 -25 5  5  o 742.8128 27.78554 16785.33       1208.322 0.000000       0.000000 16785.33       1208.322 ?        ?        742.8128 27.78554 0.000000       27.78554 
1 1 1 -25 5  6  o 251.4991 15.78382 1883.598       231.6347 2136.056       339.7119 1664.234       316.6631 266.0518 21.96737 234.1725 23.36916 31.87929       32.07309 
1 1 1 -25 5  7  o 59.03067 26.72176 -99.56961      198.6435 -219.1638      271.4375 38.33888       291.4810 64.23997 29.86011 82.26180 34.86686 -18.02182      45.90560 
1 1 1 -25 5  8  o 464.4431 11.44849 6364.570       311.8395 6332.480       433.4880 6398.986       448.9328 461.6376 16.03560 463.8683 16.52840 -2.230743      23.02886 
1 1 1 -25 5  9  o 212.4120 15.93428 1346.184       197.0539 1493.658       260.4981 1148.918       301.2823 222.7007 20.16319 192.8299 27.41222 29.87079       34.02916 
1 1 1 -25 5  10 o 40.58918 20.09777 -406.0632      178.5463 -417.9128      228.7860 -387.6043      285.5500 49.08812 23.99306 59.19455 28.41284 -10.10642      37.18813 
1 1 1 -25 5  11 o 262.2217 13.91763 2040.497       213.2682 1931.018       275.8840 2203.072       336.1931 253.8647 18.66031 270.3775 21.37534 -16.51282      28.37450 
1 1 1 -25 5  12 o 378.0758 11.83092 4223.828       262.0072 4168.739       356.1791 4288.788       386.7776 374.3320 16.26292 379.2902 17.43421 -4.958221      23.84186 
1 1 1 -25 5  13 o 183.4102 18.77405 1013.382       199.0981 1189.202       262.2502 774.1680       305.8966 197.5838 23.06488 155.2668 34.48961 42.31700       41.49123 
1 1 1 -25 5  14 o 164.4374 19.20049 817.8549       181.6861 1117.182       239.1721 409.4497       279.3722 191.8184 21.63746 114.7209 36.72462 77.09747       42.62485 
1 1 1 -25 5  15 o 323.2551 11.73194 3090.112       222.0470 3079.784       301.5088 3102.352       328.2343 321.5453 16.03912 322.2721 17.43131 -0.7267761     23.68763 
1 1 1 -25 5  16 f 268.1463 12.31087 2130.245       193.0860 1921.431       256.3688 2403.955       293.5151 253.3384 17.35986 283.3683 17.75071 -30.02983      24.82846 
1 1 1 -25 5  17 o 368.1543 10.98304 4005.759       236.8739 3858.859       321.0277 4181.318       350.9490 360.0344 15.23811 374.5103 16.01524 -14.47589      22.10629 
1 1 1 -25 5  18 o 400.2738 11.64808 4741.150       273.1492 4503.442       409.7532 4931.269       366.4471 387.6361 18.07361 406.8656 15.38484 -19.22952      23.73496 
1 1 1 -25 5  19 o 409.4432 10.57642 4955.104       253.7577 4844.940       345.2822 5084.491       374.1942 403.4148 14.61808 412.9063 15.47977 -9.491516      21.29112 
1 1 1 -25 5  20 o 339.3180 10.75504 3407.414       213.7571 3543.758       289.4077 3243.750       317.0804 344.8292 14.34183 329.0325 16.48411 15.79669       21.84981 
1 1 1 -25 5  21 o 86.58010 26.75385 233.2751       149.5357 465.2989       195.7494 -91.86801      231.7242 120.1480 28.25714 64.24474 28.99246 55.90326       40.48492 
1 1 1 -25 5  22 o 220.1731 12.29313 1443.180       158.1064 1564.338       211.2814 1288.989       238.3502 228.1327 15.89084 205.4738 20.03332 22.65891       25.57054 
1 1 1 -25 5  23 o 135.5216 18.06694 562.3862       140.0225 553.4568       179.6479 576.2075       223.5022 132.3899 24.02193 133.0777 29.41987 -0.6878357     37.98134 
1 1 1 -25 5  24 o 209.8219 12.02571 1311.981       147.3632 1225.280       196.2208 1424.141       223.1782 201.2212 16.77986 216.6604 17.71855 -15.43913      24.40309 
1 1 1 -25 5  25 o 37.44632 18.35317 -257.5839      136.6559 -511.7720      180.2135 86.34425       209.6252 37.31269 18.73547 73.76744 30.27671 -36.45475      35.60474 
1 1 1 -25 5  26 o 148.3800 16.62438 672.6304       142.1833 729.9309       194.4832 606.8412       208.3915 152.2682 22.45108 136.5726 26.97487 15.69562       35.09550 
1 1 1 -25 5  27 o 70.78719 24.98086 145.1354       129.1523 95.25433       177.3043 201.5195       188.5080 69.89049 28.15404 82.82760 30.06791 -12.93711      41.19138 
1 1 1 -25 5  28 o 170.8099 13.82793 884.4700       137.3392 655.1642       184.6517 1168.383       205.4651 142.8114 22.81382 194.2470 18.24947 -51.43567      29.21495 
1 1 1 -25 5  29 o 188.1495 12.70163 1070.283       139.3350 1048.536       192.7676 1094.076       201.6300 183.3944 18.16068 187.0849 18.62372 -3.690460      26.01256 
1 1 1 -25 5  30 o 193.1813 12.01201 1127.464       135.4182 1098.902       195.5906 1153.760       187.6752 187.3341 18.02470 192.7997 16.76427 -5.465576      24.61566 
1 1 1 -25 5  31 o 184.6414 12.49821 1035.464       134.5428 1039.698       191.1576 1031.308       189.3992 181.6028 18.19281 180.9321 18.09126 0.6706848      25.65682 
1 1 1 -25 5  32 o 135.1561 15.90232 571.2682       123.6417 559.0184       176.3652 583.1075       173.3844 128.6899 24.25726 132.2078 23.20774 -3.517822      33.57103 
1 1 1 -25 5  33 o 270.6078 10.11516 2202.206       160.2502 2242.554       227.0398 2162.149       226.2183 269.6623 14.40823 264.5653 14.63659 5.097015       20.53843 
1 1 1 -25 5  34 o 110.6146 19.43295 402.4364       121.4690 402.7869       162.8849 401.9974       182.3196 106.1231 26.30417 104.1638 28.85369 1.959221       39.04414 
1 1 1 -25 5  35 o 121.6006 17.65674 478.2413       122.2428 342.1613       166.9167 635.6574       179.5260 96.10204 27.94706 136.1491 23.32188 -40.04707      36.39984 
1 1 1 -25 5  36 o 203.7109 11.97293 1272.873       142.4119 1291.372       198.1273 1253.099       204.8421 200.8280 16.98067 196.8696 17.93831 3.958450       24.70073 
1 1 1 -25 5  37 o 113.8383 19.65479 435.0649       126.4802 354.8787       169.6458 535.4179       189.7835 96.16641 28.23339 119.5504 27.62306 -23.38403      39.49883 
1 1 1 -25 5  38 o 162.0554 15.06242 835.9043       141.5170 851.4573       199.8430 820.2599       200.4288 156.5737 22.40060 152.9729 23.05628 3.600739       32.14621 
1 1 1 -25 5  39 o 46.93010 21.19789 -21.54900      124.2035 19.20527       163.0237 -77.93317      191.7533 55.89648 24.83526 53.10459 24.82124 2.791885       35.11245 
1 1 1 -25 5  40 o 56.70023 23.39270 77.52105       125.9887 27.53584       171.3171 136.3961       185.9284 57.08001 25.40427 67.51384 28.18353 -10.43383      37.94322 
1 1 1 -25 5  41 o 113.9037 21.27199 456.4885       136.8763 302.2744       186.7338 635.5608       201.2218 85.05454 30.03582 127.8547 27.64199 -42.80019      40.81948 
1 1 1 -25 5  42 o 56.08267 24.12299 59.43194       143.2445 -87.10896      189.3234 255.6467       219.0739 51.31399 24.19712 78.33736 31.38550 -27.02338      39.63017 
1 1 1 -25 6  1  o 267.2740 14.51259 2121.010       226.6313 2234.808       333.5365 2023.410       308.8906 272.5551 21.02846 259.4447 20.46626 13.11038       29.34389 
1 1 1 -25 6  2  o 327.4423 13.54009 3175.884       259.4590 3493.763       391.2191 2926.281       346.6680 341.6266 19.60857 312.7634 18.98884 28.86325       27.29601 
1 1 1 -25 6  3  o 344.7502 13.02162 3517.466       262.8082 3148.492       384.3993 3841.305       360.1214 323.9849 20.33306 359.1035 17.14887 -35.11853      26.59919 
1 1 1 -25 6  4  o 585.5190 13.47195 10138.09       462.6172 9724.582       739.1218 10404.42       593.1733 568.9827 22.19218 591.4019 17.12008 -22.41913      28.02838 
1 1 1 -25 6  5  o 436.8681 23.49528 5756.128       599.7644 0.000000       0.000000 5756.128       599.7644 ?        ?        436.8681 23.49528 0.000000       23.49528 
1 1 1 -25 6  6  o 197.6918 17.97922 1172.527       206.1758 1209.568       284.2368 1131.397       299.5161 198.8101 24.92386 191.3332 27.47934 7.476944       37.09870 
1 1 1 -25 6  7  o 135.2781 25.16489 568.8190       192.3056 744.1345       254.3983 335.0734       293.7486 153.9499 29.24535 107.8050 37.70349 46.14484       47.71628 
1 1 1 -25 6  8  o 51.14625 24.21415 -218.2094      193.1261 -225.6447      256.7328 -208.5176      293.1115 61.64799 28.78358 67.97668 31.39855 -6.328686      42.59534 
1 1 1 -25 6  9  o 330.2465 12.27450 3225.264       237.3210 3390.675       322.1297 3028.912       350.9666 337.5432 16.32074 318.1841 18.89280 19.35907       24.96606 
1 1 1 -25 6  10 o 150.8075 21.84408 695.0466       187.5809 749.7360       242.7569 614.0026       295.5156 154.9932 27.72382 137.9684 36.10878 17.02481       45.52422 
1 1 1 -25 6  11 o 259.3220 14.00254 1996.047       212.1695 2160.867       277.0544 1762.313       329.9303 268.9084 17.66534 240.8876 23.65866 28.02075       29.52620 
1 1 1 -25 6  12 o 191.6655 18.79440 1105.602       208.5496 911.2397       280.0020 1347.762       312.5409 170.7472 28.99737 209.5397 25.98931 -38.79259      38.93959 
1 1 1 -25 6  13 o 98.48210 28.15074 303.2965       170.7283 376.5739       217.6401 186.0621       275.2844 109.3306 31.94584 92.06006 35.69864 17.27049       47.90543 
1 1 1 -25 6  14 o 177.2918 17.44772 944.6006       179.0689 1067.817       236.9303 780.4557       273.4640 187.3459 21.98145 156.9871 30.80262 30.35872       37.84158 
1 1 1 -25 6  15 f 399.7853 12.79287 4732.227       299.5615 4726.291       352.6700 4747.605       567.6381 398.7809 15.10670 395.3729 24.60206 3.408020       28.86994 
1 1 1 -25 6  16 o 444.9911 10.86683 5845.063       283.5990 5604.177       386.0134 6127.574       418.0372 434.1129 15.18513 453.7248 15.73366 -19.61191      21.86632 
1 1 1 -25 6  17 o 559.5641 16.45659 9336.555       539.4709 0.000000       0.000000 9336.555       539.4709 ?        ?        559.5641 16.45659 0.000000       16.45659 
1 1 1 -25 6  18 o 277.5681 11.52556 2281.793       187.2131 2276.319       244.9110 2289.488       290.3757 276.2371 15.17565 276.0779 18.03274 0.1592407      23.56863 
1 1 1 -25 6  19 o 183.4610 15.19563 1008.849       162.0329 1179.238       208.7213 750.4131       257.0529 197.5550 18.21988 153.2634 29.67026 44.29163       34.81794 
1 1 1 -25 6  20 o 155.9721 17.62082 738.1196       158.3657 984.4547       204.1814 366.1818       250.8928 179.7136 19.69466 107.4739 34.83880 72.23971       40.02027 
1 1 1 -25 6  21 o 121.7706 21.15591 461.4554       145.6065 448.8637       183.8020 482.6733       238.5928 118.2454 27.08727 121.1981 32.78211 -2.952682      42.52514 
1 1 1 -25 6  22 o 259.7754 11.25237 2003.107       171.0257 1961.345       225.3013 2059.893       262.7215 255.8190 15.08385 261.3376 17.23753 -5.518677      22.90535 
1 1 1 -25 6  23 o 175.7108 14.23000 926.9180       145.3868 828.8323       185.7389 1082.084       233.6138 164.3431 19.66048 187.2312 21.67488 -22.88808      29.26320 
1 1 1 -25 6  24 o 135.9670 18.15559 567.4768       141.1603 358.3845       188.4789 834.5879       213.0295 104.7502 29.45587 163.4634 22.84425 -58.71317      37.27610 
1 1 1 -25 6  25 o 140.8193 17.88845 608.9624       144.4062 551.2001       192.6190 683.0921       218.2091 130.7311 26.03804 145.6766 26.51729 -14.94547      37.16377 
1 1 1 -25 6  26 o 130.2033 18.61930 525.5803       138.1359 563.8672       185.4909 477.9095       206.9779 132.3910 24.80100 119.6788 29.64405 12.71220       38.65048 
1 1 1 -25 6  27 o 38.15255 18.43404 -185.2336      124.9665 -132.2206      161.3006 -264.8285      197.6456 48.71230 22.76724 48.50759 23.37385 0.2047119      32.62950 
1 1 1 -25 6  28 o 205.3637 12.09446 1267.828       145.0220 1191.208       198.1806 1356.154       212.7810 196.4995 17.37573 209.6976 17.45998 -13.19801      24.63264 
1 1 1 -25 6  29 o 205.2755 12.05714 1270.302       144.5158 1374.723       204.1285 1165.373       204.6249 211.0368 16.62704 193.2089 18.27568 17.82796       24.70746 
1 1 1 -25 6  30 o 167.4134 13.98500 857.3480       136.0571 1126.136       193.7655 595.9321       191.0899 189.8317 17.60490 133.1406 25.39893 56.69116       30.90369 
1 1 1 -25 6  31 o 274.7151 10.06770 2261.953       161.9302 2361.445       229.5334 2163.375       228.4781 277.8146 14.13415 265.4014 14.73667 12.41324       20.41920 
1 1 1 -25 6  32 o 250.5291 10.34692 1886.809       151.6994 1921.055       210.1818 1849.572       219.1711 249.9573 14.39861 244.4694 15.36420 5.487869       21.05656 
1 1 1 -25 6  33 o 153.0385 14.36108 726.2471       127.3896 885.5417       173.7834 541.2379       187.2856 166.5877 18.07691 124.1038 26.53552 42.48389       32.10777 
1 1 1 -25 6  34 o 97.80279 21.55911 324.4744       120.3255 453.0320       165.4148 180.0076       175.3515 113.2052 25.52604 74.83392 28.62861 38.37125       38.35591 
1 1 1 -25 6  35 o 182.5198 12.49613 1024.078       132.9560 891.8204       183.4744 1170.332       192.9389 165.1436 19.30759 191.1732 17.39889 -26.02959      25.99047 
1 1 1 -25 6  36 o 55.98090 22.84063 68.44351       118.4215 82.30597       162.3132 52.66660       173.1589 62.52673 26.23320 61.00192 26.38221 1.524811       37.20486 
1 1 1 -25 6  37 o 60.11610 23.69991 100.3198       122.9953 79.13243       160.9016 130.1038       190.7712 61.54183 25.98632 68.83743 28.62716 -7.295601      38.66268 
1 1 1 -25 6  38 o 52.39982 22.61862 31.86088       126.7977 -107.1447      172.1465 196.7145       187.4698 48.95580 23.08152 74.56688 29.30143 -25.61108      37.30054 
1 1 1 -25 6  39 o 55.57436 23.40683 60.36545       130.0093 122.2150       174.5276 -16.74370      194.8717 65.99760 27.40824 57.07389 26.08046 8.923710       37.83387 
1 1 1 -25 6  40 o 77.64442 25.91100 229.6829       138.3985 210.7276       191.7856 250.2798       199.9177 74.87926 29.57138 79.06296 30.48556 -4.183701      42.47159 
1 1 1 -25 6  41 o 94.16508 24.99732 336.2716       140.3371 264.0982       185.7215 432.3267       214.2563 80.45018 29.74013 98.92062 32.20441 -18.47044      43.83604 
1 1 1 -25 7  1  o 329.1607 13.50712 3208.913       260.1942 3471.972       391.3866 3000.573       348.3093 340.5510 19.68009 316.7903 18.83246 23.76071       27.23908 
1 1 1 -25 7  2  o 597.7023 13.70587 10566.44       480.4434 10668.53       784.5643 10505.18       607.7164 595.8829 22.49040 594.1390 17.45958 1.743835       28.47200 
1 1 1 -25 7  3  o 634.0790 13.95234 11895.98       518.8490 10432.59       790.4991 13003.57       687.7172 588.9332 22.93060 660.8870 17.75930 -71.95380      29.00354 
1 1 1 -25 7  4  o 762.9725 28.29970 17726.43       1264.119 0.000000       0.000000 17726.43       1264.119 ?        ?        762.9725 28.29970 0.000000       28.29970 
1 1 1 -25 7  5  o 360.5987 12.73619 3846.506       268.9254 3833.456       389.9622 3858.341       371.3557 358.2195 18.62589 359.7179 17.65658 -1.498352      25.66473 
1 1 1 -25 7  6  o 193.0218 18.31597 1119.092       204.8607 1054.168       270.2473 1206.801       314.1084 185.2193 25.55912 197.5865 27.88038 -12.36720      37.82306 
1 1 1 -25 7  7  o 319.8518 13.33458 3030.095       249.5889 3322.693       357.9354 2753.183       348.2094 333.5061 18.37093 303.0645 19.69765 30.44168       26.93489 
1 1 1 -25 7  8  o 243.2007 15.55695 1761.051       220.7276 1964.654       298.1200 1514.016       328.3815 255.6967 20.03996 222.4823 25.63518 33.21443       32.53863 
1 1 1 -25 7  9  o 77.21475 30.12716 119.5216       197.0116 168.2503       252.4829 43.66814       315.0121 88.28761 34.20128 85.46278 36.23628 2.824837       49.82766 
1 1 1 -25 7  10 o 161.7521 24.81383 806.0837       227.8913 872.1548       261.1391 595.0424       466.7133 167.5125 27.53721 138.2306 47.56911 29.28181       54.96469 
1 1 1 -25 7  11 o 367.1556 11.84862 3983.744       254.8000 4101.073       343.5502 3840.301       379.8631 371.4171 15.80782 358.6241 18.11952 12.79300       24.04588 
1 1 1 -25 7  12 o 267.6496 13.67726 2125.339       213.9803 2196.703       281.0382 2026.904       330.0679 271.0465 17.77768 259.0020 21.93559 12.04443       28.23501 
1 1 1 -25 7  13 o 94.40037 28.34697 275.6955       169.4820 155.4033       213.5526 480.3862       278.5704 82.76745 31.61079 122.6376 36.22551 -39.87018      48.07837 
1 1 1 -25 7  14 o 225.6330 14.51761 1515.298       191.0898 1553.365       252.8125 1464.565       291.8568 227.2379 19.14798 219.3690 23.02817 7.868912       29.94899 
1 1 1 -25 7  15 o 261.2135 12.85690 2023.591       196.3568 1969.298       257.5828 2098.908       303.3862 256.5338 17.22046 264.0639 19.73276 -7.530151      26.19019 
1 1 1 -25 7  16 o 161.2379 17.94769 785.4883       166.8441 609.9487       208.7681 1095.797       277.5707 139.3555 26.51248 188.1801 25.83163 -48.82460      37.01600 
1 1 1 -25 7  17 o 640.1622 16.93910 12234.44       635.4030 11089.17       799.4270 14199.15       1047.066 605.2909 22.55925 681.3109 26.25377 -76.02002      34.61474 
1 1 1 -25 7  18 o 96.91768 26.41291 297.3473       154.1993 469.5015       196.0809 18.32136       249.6311 121.2290 28.12435 74.67220 31.97701 46.55683       42.58531 
1 1 1 -25 7  19 o 305.4215 11.97763 2766.994       214.1303 2996.327       309.9012 2557.470       296.2142 316.1370 16.77470 291.7614 17.39012 24.37561       24.16210 
1 1 1 -25 7  20 o 43.24191 20.50023 -159.2619      139.3443 -101.1145      169.3116 -281.3259      245.3100 53.04033 24.26477 56.60254 26.93910 -3.562206      36.25595 
1 1 1 -25 7  21 o 137.6746 18.19429 579.3954       143.3134 662.4862       181.4548 441.6249       233.6523 146.1512 21.83851 116.0217 32.85581 30.12947       39.45155 
1 1 1 -25 7  22 o 183.1780 14.51135 1007.211       154.6219 902.6570       203.7421 1149.214       237.4433 171.2942 20.70024 193.2920 21.29836 -21.99780      29.70051 
1 1 1 -25 7  23 o 214.3369 12.49054 1370.141       156.3302 1281.926       207.3367 1486.366       237.9877 205.6945 17.34870 221.1088 18.52268 -15.41426      25.37848 
1 1 1 -25 7  24 o 263.1209 11.61474 2060.117       178.7902 2048.471       239.0943 2074.889       269.2846 260.8158 15.70367 261.6010 17.65521 -0.7851257     23.62862 
1 1 1 -25 7  25 o 343.1313 10.40039 3494.906       209.0542 3555.732       292.0190 3430.961       299.4142 344.1517 14.50057 337.6867 15.15710 6.465027       20.97628 
1 1 1 -25 7  26 o 57.90376 23.83359 45.13905       130.3793 -3.599632      166.8999 121.4504       208.8401 59.25086 25.76126 76.33700 30.62325 -17.08614      40.01781 
1 1 1 -25 7  27 o 255.3501 10.96957 1946.549       163.8936 2015.586       225.7196 1869.566       238.3576 257.8868 14.98875 247.4814 16.51691 10.40541       22.30406 
1 1 1 -25 7  28 o 165.4918 14.27318 833.9727       137.1788 778.3517       183.7621 903.9821       206.1651 156.8508 20.46399 168.6908 21.31373 -11.84003      29.54742 
1 1 1 -25 7  29 o 291.7866 9.976690 2543.173       170.4759 2448.292       234.9887 2648.589       247.6912 283.6600 14.17019 294.9136 14.36394 -11.25357      20.17714 
1 1 1 -25 7  30 o 65.38681 23.50594 126.3190       114.8579 42.49988       154.9156 228.6436       171.1645 60.04850 25.43380 82.99529 28.79600 -22.94678      38.41989 
1 1 1 -25 7  31 f 464.4708 10.31957 6467.060       281.1061 6648.947       402.6634 6294.138       392.6152 465.4697 14.76897 452.8215 14.80381 12.64816       20.91113 
1 1 1 -25 7  32 o 177.2184 12.63598 958.2703       130.4697 961.7435       176.5203 954.0881       193.6977 174.5124 17.48232 172.3455 19.50596 2.166885       26.19377 
1 1 1 -25 7  33 o 197.1742 11.92410 1183.954       137.2434 983.4084       184.9590 1429.656       204.7259 175.3323 18.25414 213.2277 16.49940 -37.89537      24.60577 
1 1 1 -25 7  34 o 49.67867 21.65229 7.700237       118.5133 56.32880       161.0845 -49.68171      174.9830 60.60366 25.81215 54.12583 24.72588 6.477825       35.74403 
1 1 1 -25 7  35 o 82.51134 23.26492 238.6912       117.4124 57.90521       154.0305 489.4279       181.3983 59.55699 25.29890 115.7350 27.18972 -56.17797      37.13914 
1 1 1 -25 7  36 o 74.81665 23.88285 197.1277       118.2158 75.90273       156.6201 357.6334       180.2173 61.16483 25.72204 96.20027 29.30487 -35.03545      38.99229 
1 1 1 -25 7  37 o 49.01213 21.64154 2.302858       121.9195 -99.80682      165.2168 124.3885       180.6563 48.58097 22.81338 67.48879 27.94370 -18.90783      36.07355 
1 1 1 -25 7  38 o 169.9790 14.16766 912.1119       139.9524 1018.281       197.8520 805.7914       197.9931 174.1175 19.72215 151.4277 23.01808 22.68976       30.31164 
1 1 1 -25 7  39 o 90.74003 24.52767 305.7037       133.6183 328.8816       176.7600 274.7996       204.1060 90.22794 29.24179 82.39562 31.03337 7.832321       42.63980 
1 1 1 -25 7  40 o 58.38907 24.29588 83.02974       137.5235 7.907094       184.4370 177.0941       206.3835 56.98725 25.77734 71.97616 29.84038 -14.98891      39.43247 
1 1 1 -25 7  41 f 135.2575 18.95131 620.3391       146.2124 605.8785       195.1901 638.8271       220.7036 124.8527 27.40971 124.3527 30.49851 0.5000458      41.00550 
1 1 1 -25 8  1  o 217.3521 17.93126 1414.678       226.5416 1809.556       321.4983 1025.255       319.2697 244.5942 22.67002 180.7584 31.24678 63.83575       38.60429 
1 1 1 -25 8  2  o 440.0637 12.70341 5725.357       327.5153 5526.292       499.7395 5875.231       433.6191 429.8096 19.87901 444.4944 16.66331 -14.68475      25.93918 
1 1 1 -25 8  3  o 440.5455 12.56212 5737.058       324.2356 4829.122       460.3533 6630.816       456.7447 401.8241 19.59368 472.2916 16.51512 -70.46753      25.62540 
1 1 1 -25 8  4  o 483.9120 16.55545 6961.574       469.1565 0.000000       0.000000 6961.574       469.1565 ?        ?        483.9120 16.55545 0.000000       16.55545 
1 1 1 -25 8  5  o 281.8324 15.81983 2363.360       260.4333 2041.576       306.2732 3203.506       494.8854 260.6684 20.19143 324.4258 26.23347 -63.75742      33.10421 
1 1 1 -25 8  6  o 110.6555 29.89804 386.6702       198.5872 428.4160       258.6897 326.7677       309.8808 116.6059 35.02296 108.0023 38.63540 8.603630       52.14692 
1 1 1 -25 8  7  o 280.3681 14.26232 2332.813       233.7438 2457.461       319.1625 2188.615       343.2809 286.4478 19.10761 269.3534 21.92019 17.09442       29.07912 
1 1 1 -25 8  8  o 172.1094 19.76338 895.4623       195.8723 885.3138       249.8938 911.6310       315.4218 169.3222 25.99397 169.5243 32.91252 -0.2021637     41.93948 
1 1 1 -25 8  9  o 205.0029 17.47116 1258.786       208.0549 1369.090       273.9023 1108.333       319.8897 212.5056 22.30958 188.4360 29.94667 24.06958       37.34328 
1 1 1 -25 8  10 o 294.8166 13.70796 2577.108       236.3659 2056.328       312.8635 3269.611       360.7770 261.4106 20.57277 330.6581 18.68010 -69.24741      27.78821 
1 1 1 -25 8  11 o 192.8112 17.25239 1114.414       193.0292 1055.970       244.9440 1210.189       313.5597 186.0972 22.92690 197.7434 27.80447 -11.64621      36.03791 
1 1 1 -25 8  12 o 60.37984 25.99493 -5.881351      166.6273 222.5601       200.5663 -514.8291      299.3693 89.11568 31.15551 56.82090 27.70116 32.29478       41.68957 
1 1 1 -25 8  13 o 49.69193 23.19068 -150.0779      166.3465 -164.6564      205.8366 -122.6309      282.4318 56.24485 26.09539 70.74673 31.95968 -14.50188      41.26004 
1 1 1 -25 8  14 o 178.1704 16.67441 952.5743       172.2113 1072.393       218.8603 757.7917       279.0484 188.1992 20.14177 154.0901 31.92868 34.10909       37.75091 
1 1 1 -25 8  15 o 326.9234 11.33072 3160.542       216.9188 3187.741       287.4335 3124.555       330.6191 327.2994 15.01412 323.1878 17.50843 4.111664       23.06445 
1 1 1 -25 8  16 o 328.2713 15.16426 3209.652       291.1586 3412.347       629.9830 3154.596       328.3280 329.2760 33.06982 324.6806 17.30504 4.595428       37.32395 
1 1 1 -25 8  17 o 296.4822 15.71489 2624.359       272.2744 3090.500       636.4306 2519.930       301.2329 311.0793 35.52012 289.7730 17.81138 21.30624       39.73568 
1 1 1 -25 8  18 o 523.5049 15.76840 8177.698       483.5747 0.000000       0.000000 8177.698       483.5747 ?        ?        523.5049 15.76840 0.000000       15.76840 
1 1 1 -25 8  19 o 179.7310 15.57867 970.7402       162.5916 886.7720       208.7213 1100.336       259.3015 169.8893 21.42378 188.4906 24.00012 -18.60127      32.17117 
1 1 1 -25 8  20 o 59.92729 24.79304 39.24176       142.0587 46.15170       177.7441 27.02271       236.3616 66.35372 27.61648 73.07752 31.20024 -6.723801      41.66683 
1 1 1 -25 8  21 o 241.1163 12.10275 1729.291       170.5966 1551.965       219.5983 1999.202       270.9275 226.9536 16.61348 257.1242 18.08162 -30.17061      24.55509 
1 1 1 -25 8  22 o 228.0573 12.51834 1550.029       166.7909 1498.206       216.5693 1625.577       261.4842 222.8138 16.69450 230.9857 19.48384 -8.171921      25.65788 
1 1 1 -25 8  23 o 243.6444 12.07817 1767.894       172.0490 1770.576       230.0046 1764.486       259.2383 242.3238 16.27859 240.9552 18.48594 1.368576       24.63174 
1 1 1 -25 8  24 o 102.0443 24.58712 335.5216       145.3963 238.5945       189.5265 474.1560       226.6643 88.39926 30.31721 119.1569 31.83120 -30.75762      43.95859 
1 1 1 -25 8  25 o 83.13189 25.70489 219.3541       138.0136 159.5632       177.4337 310.9412       219.6019 77.46389 28.98533 98.10197 32.63653 -20.63808      43.64966 
1 1 1 -25 8  26 o 147.6796 16.45304 668.0231       140.0836 820.4244       185.0350 463.3889       214.4118 162.3625 19.84391 116.9140 30.83372 45.44847       36.66742 
1 1 1 -25 8  27 o 167.4212 14.45557 852.0890       140.5483 806.6599       182.2019 918.8412       220.8610 160.4406 19.78214 169.6905 22.76663 -9.249939      30.16045 
1 1 1 -25 8  28 o 137.6179 17.05836 589.0515       134.7318 570.0819       181.1791 612.5193       201.5189 131.6526 24.36248 135.4093 26.32398 -3.756744      35.86757 
1 1 1 -25 8  29 o 199.2514 12.21115 1199.814       142.0096 1210.853       199.2779 1188.423       202.4227 197.2073 17.40858 195.0432 17.89538 2.164063       24.96605 
1 1 1 -25 8  30 o 301.9282 10.73937 2737.512       189.8631 2469.074       271.8137 2993.274       265.3182 282.2553 16.49205 312.7413 14.50493 -30.48593      21.96317 
1 1 1 -25 8  31 o 146.8218 18.74435 687.5779       157.7271 775.9251       171.2949 195.2279       404.3757 155.8126 19.14738 90.83579 39.78406 64.97677       44.15194 
1 1 1 -25 8  32 o 93.24287 22.47065 294.3121       121.4246 384.0022       164.6382 187.3388       179.8027 104.2093 26.79137 76.99980 29.09937 27.20947       39.55440 
1 1 1 -25 8  33 o 140.0313 15.52429 616.2468       125.3540 446.6636       168.0524 828.9523       188.2099 112.3732 26.01371 158.7887 20.70280 -46.41545      33.24634 
1 1 1 -25 8  34 o 36.97225 17.74343 -134.5244      111.2566 -164.0492      150.6259 -99.07782      165.0415 43.23672 20.72224 49.38255 23.06384 -6.145828      31.00568 
1 1 1 -25 8  35 o 209.0060 11.72656 1336.264       143.1644 1456.711       198.3043 1205.149       206.8991 214.6413 15.86533 192.6211 18.54378 22.02017       24.40451 
1 1 1 -25 8  36 o 101.9781 21.66464 359.0849       125.5689 436.8034       169.8880 265.5007       186.4241 108.5195 26.84350 83.55950 29.95789 24.95999       40.22497 
1 1 1 -25 8  37 o 80.11987 25.17683 235.5171       131.8290 284.2680       182.0040 181.7128       191.2047 85.23768 29.68677 73.57438 29.37381 11.66330       41.76272 
1 1 1 -25 8  38 o 74.69241 25.03531 203.6462       129.1826 382.8622       180.2292 14.28974       185.2580 97.93782 29.19047 58.24400 26.13409 39.69382       39.18003 
1 1 1 -25 8  39 o 195.8911 13.21132 1203.318       150.8912 1173.690       213.3302 1232.980       213.4546 186.1692 19.84416 191.5669 19.26026 -5.397766      27.65408 
1 1 1 -25 8  40 o 69.04680 26.09296 169.5582       144.5664 -16.92570      194.3394 400.6071       216.3177 56.40917 25.87701 95.12825 32.39508 -38.71908      41.46157 
1 1 1 -25 8  41 o 86.37986 25.97786 290.8017       142.2572 269.9110       184.8532 321.1432       222.7768 80.86369 29.70909 85.22960 32.34929 -4.365913      43.92160 
1 1 1 -25 9  1  o 66.27484 28.99592 -34.05183      214.2963 62.73211       285.2075 -159.5332      324.7498 83.33812 34.85628 74.88268 34.00430 8.455437       48.69551 
1 1 1 -25 9  2  o 337.3678 13.45015 3370.323       265.5890 3577.862       379.2994 3170.690       372.0059 346.0487 18.75950 325.4314 19.58185 20.61731       27.11766 
1 1 1 -25 9  3  o 510.9264 13.10749 7720.175       392.4367 6898.753       566.8056 8476.499       543.8825 480.1729 20.17225 533.6799 17.40022 -53.50699      26.63996 
1 1 1 -25 9  4  o 387.4064 12.82006 4439.128       290.8767 4637.337       421.1974 4258.411       402.1846 394.2448 18.26632 377.7818 18.20599 16.46307       25.78986 
1 1 1 -25 9  5  o 260.9212 14.91914 2023.321       227.3473 1941.283       305.9468 2124.479       339.7365 253.9891 20.71890 265.3444 22.02991 -11.35529      30.24218 
1 1 1 -25 9  6  o 284.0303 13.98321 2392.803       232.2122 2147.900       305.2222 2729.359       357.8058 267.5853 19.58491 301.5424 20.35166 -33.95706      28.24462 
1 1 1 -25 9  7  o 80.12962 30.07364 152.3551       191.3100 134.7833       238.0613 184.3928       321.4495 83.62072 32.97033 96.50609 38.22998 -12.88537      50.48341 
1 1 1 -25 9  8  o 229.5391 16.30056 1571.949       218.0092 1390.238       278.8821 1857.475       349.5851 214.0874 22.54983 247.1195 24.44076 -33.03214      33.25425 
1 1 1 -25 9  9  o 284.5805 13.81051 2402.011       229.8089 2259.820       310.1966 2575.001       342.1446 274.4928 19.39370 292.8796 20.03987 -18.38678      27.88748 
1 1 1 -25 9  10 o 103.2209 27.95157 335.2257       173.3401 166.4733       209.5416 701.0367       308.5130 83.57457 31.45113 147.2658 36.02285 -63.69127      47.82070 
1 1 1 -25 9  11 o 181.8590 17.45032 993.0695       183.8370 954.0532       230.2128 1061.740       305.4148 176.7864 22.72925 184.4500 29.20480 -7.663620      37.00729 
1 1 1 -25 9  12 o 196.4737 15.71414 1153.274       179.5614 1255.400       226.1010 978.8625       295.4755 204.1702 19.10436 176.7296 29.55018 27.44064       35.18792 
1 1 1 -25 9  13 o 324.7809 11.68003 3119.475       222.1146 3145.879       294.6813 3084.740       337.9880 325.1162 15.49944 321.1049 18.01979 4.011292       23.76858 
1 1 1 -25 9  14 o 52.67985 23.80588 -76.45686      156.8552 -246.6736      187.6611 318.1436       285.7274 48.59729 23.24806 105.0262 37.14790 -56.42895      43.82281 
1 1 1 -25 9  15 o 147.8133 19.02292 664.2061       161.0888 658.6609       197.9358 675.0834       277.2213 145.7229 23.99482 144.4795 33.38691 1.243439       41.11492 
1 1 1 -25 9  16 o 356.2133 12.41756 3760.399       259.0194 3794.163       303.3192 3669.466       497.7744 357.1264 14.51219 346.5766 24.65056 10.54974       28.60513 
1 1 1 -25 9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 9  18 o 467.6143 15.64150 6529.484       428.3562 0.000000       0.000000 6529.484       428.3562 ?        ?        467.6143 15.64150 0.000000       15.64150 
1 1 1 -25 9  19 o 122.6588 21.30583 467.9127       147.7085 329.0490       184.3450 716.9579       246.8743 101.3709 29.33777 149.4854 29.20735 -48.11443      41.39775 
1 1 1 -25 9  20 o 121.4414 21.37314 459.8017       146.6684 580.2319       185.1306 256.8004       240.3587 135.8055 24.12794 94.46925 33.99836 41.33623       41.68988 
1 1 1 -25 9  21 o 188.4266 14.44309 1065.101       158.3907 965.8111       201.9906 1223.632       255.2331 177.6431 19.71982 199.1307 22.23382 -21.48758      29.71892 
1 1 1 -25 9  22 o 68.18430 25.73171 112.2538       140.4810 192.5300       174.2309 -36.90043      237.4923 81.94437 29.00593 68.28920 30.17681 13.65517       41.85671 
1 1 1 -25 9  23 o 84.94018 26.11563 227.4140       142.7016 217.3309       178.6051 245.2130       237.2983 85.22688 29.42295 92.26749 33.69916 -7.040604      44.73637 
1 1 1 -25 9  24 o 270.1520 12.07159 2176.417       190.7766 1792.015       257.9221 2640.786       283.4833 242.4476 18.27380 295.5921 16.41699 -53.14449      24.56520 
1 1 1 -25 9  25 o 187.5732 13.84058 1059.563       151.1840 1053.329       201.3863 1067.614       228.8503 184.9903 18.82417 184.9571 21.49754 0.3324890E-01  28.57436 
1 1 1 -25 9  26 o 203.8557 12.88643 1249.653       153.2772 1198.743       203.0423 1317.104       233.7125 197.4830 17.71913 206.0531 19.57462 -8.570068      26.40328 
1 1 1 -25 9  27 o 160.6391 14.60729 786.6592       136.1134 773.6115       179.1483 804.4767       209.3472 156.7950 19.93168 158.0662 23.27914 -1.271179      30.64621 
1 1 1 -25 9  28 o 235.6537 11.34499 1667.699       156.3333 1644.762       212.6172 1694.694       230.6606 231.5223 15.75249 234.2470 16.90362 -2.724686      23.10570 
1 1 1 -25 9  29 o 257.6121 10.37100 1988.288       156.3683 2016.059       213.4193 1956.101       229.7600 257.0341 14.21303 252.1612 15.61281 4.872849       21.11326 
1 1 1 -25 9  30 o 151.3224 14.17177 704.2539       124.3070 659.1601       168.1773 758.5583       184.5552 142.7409 20.69212 152.9770 21.13477 -10.23611      29.57773 
1 1 1 -25 9  31 o 284.0694 10.80246 2429.662       179.6411 2188.027       261.7588 2644.792       246.9863 264.5531 16.96022 293.4645 14.39440 -28.91144      22.24518 
1 1 1 -25 9  32 o 94.50436 22.29935 302.5076       121.5852 387.6757       161.6755 191.6378       184.4643 104.7855 26.34098 77.51021 29.43250 27.27528       39.49834 
1 1 1 -25 9  33 o 109.8136 19.70020 397.9215       122.2139 389.4914       160.8358 409.4395       187.9987 104.3032 26.30191 104.7110 29.40893 -0.4077301     39.45472 
1 1 1 -25 9  34 o 120.1811 17.71529 467.5182       121.1228 460.3880       160.3914 476.9809       184.7711 114.4930 24.61862 113.9277 27.88375 0.5652466      37.19651 
1 1 1 -25 9  35 o 86.73156 22.77919 263.6512       117.3369 389.0485       164.1430 132.6101       167.7962 102.6822 26.92945 68.23504 27.42312 34.44720       38.43465 
1 1 1 -25 9  36 o 50.39389 22.15113 7.995568       126.3838 -59.74583      172.3176 86.85760       185.9244 52.22087 24.10440 64.76668 27.66243 -12.54581      36.69104 
1 1 1 -25 9  37 o 41.29665 19.51967 -101.3743      124.5550 -195.0496      174.3569 -3.749890      177.9941 44.98420 21.74448 56.34758 25.42095 -11.36338      33.45216 
1 1 1 -25 9  38 o 159.7551 15.32516 816.9939       141.8266 749.5792       197.7416 888.4129       203.5297 144.5808 24.17320 159.5778 22.36005 -14.99699      32.92895 
1 1 1 -25 9  39 o 71.26925 25.37921 185.0075       133.5637 108.7251       180.9465 276.3232       197.9752 64.76997 27.46302 82.19933 30.64523 -17.42936      41.15031 
1 1 1 -25 9  40 o 54.10236 23.36227 44.36003       135.3719 46.85099       185.5623 41.52611       197.9248 59.77037 26.52983 60.54540 27.10141 -0.7750244     37.92517 
1 1 1 -25 9  41 o 67.12803 25.73922 158.9085       141.9585 -529.1913      394.5605 261.2265       152.1472 57.08414 28.52497 80.92099 27.17012 -23.83685      39.39402 
1 1 1 -25 10 1  o 360.8945 13.98857 3858.842       295.5159 4098.491       421.3205 3626.770       414.6056 370.1926 19.47442 347.8399 20.41355 22.35263       28.21287 
1 1 1 -25 10 2  o 218.7923 17.67269 1432.576       224.8415 1535.528       290.1197 1277.749       355.7807 225.2818 22.24855 202.3530 30.96243 22.92876       38.12703 
1 1 1 -25 10 3  o 380.2635 13.25531 4279.489       295.1620 3553.363       387.0397 5288.765       456.3040 344.6846 19.22237 420.9924 18.52654 -76.30783      26.69704 
1 1 1 -25 10 4  o 304.7934 13.88645 2753.931       247.5739 2491.518       325.2809 3115.250       381.6901 288.3945 19.34371 322.2870 20.29686 -33.89246      28.03822 
1 1 1 -25 10 5  o 381.5942 18.50718 4347.498       412.9482 0.000000       0.000000 4347.498       412.9482 ?        ?        381.5942 18.50718 0.000000       18.50718 
1 1 1 -25 10 6  o 257.9889 14.78357 1977.961       222.7454 1513.199       276.4093 2838.817       376.1858 223.8495 21.31139 307.3133 20.99848 -83.46375      29.91841 
1 1 1 -25 10 7  o 303.9600 13.90468 2739.656       247.2158 2631.798       328.4885 2880.539       375.4259 296.4812 18.99163 309.6067 20.79647 -13.12552      28.16337 
1 1 1 -25 10 8  o 162.9549 20.66444 806.4704       193.0540 564.8923       234.8154 1310.353       339.1269 133.3273 30.66937 205.5327 28.93373 -72.20546      42.16362 
1 1 1 -25 10 9  o 82.17336 29.64938 177.7135       182.9396 373.1532       226.8564 -185.7234      309.3565 109.1155 32.80283 71.33106 32.69481 37.78443       46.31388 
1 1 1 -25 10 10 o 144.9007 21.35568 642.1026       176.0472 698.6659       217.7041 535.2258       299.2549 150.0130 25.66704 128.9697 37.39549 21.04330       45.35658 
1 1 1 -25 10 11 o 180.2806 17.36813 976.2655       181.3636 1349.508       231.8470 387.7319       291.1332 211.8128 18.86080 112.7483 37.57963 99.06446       42.04710 
1 1 1 -25 10 12 o 373.1533 11.84790 4117.534       258.9575 4294.230       378.3514 3961.811       355.1876 379.4042 17.04721 364.5354 16.65777 14.86877       23.83461 
1 1 1 -25 10 13 o 188.4565 15.13464 1061.168       165.8708 1109.700       206.0204 971.7393       279.6608 191.8747 18.53866 176.3833 27.96685 15.49139       33.55334 
1 1 1 -25 10 14 o 113.9106 23.94246 406.7426       154.8620 476.2539       184.8996 243.3980       283.4397 122.8058 26.45429 97.50205 36.60310 25.30371       45.16211 
1 1 1 -25 10 15 f 327.0545 11.43715 3165.230       219.0380 3213.666       292.2628 3103.161       330.8458 328.4147 15.21537 321.8481 17.59459 6.566528       23.26106 
1 1 1 -25 10 16 o 169.8661 16.56680 868.6599       162.9476 702.5904       203.1733 1168.064       272.8040 150.4476 23.81896 194.5547 24.44730 -44.10712      34.13229 
1 1 1 -25 10 17 o 243.8630 12.98117 1768.919       184.9877 1555.454       236.0115 2108.980       297.8853 227.1753 17.85766 264.1339 19.36436 -36.95853      26.34150 
1 1 1 -25 10 18 o 439.2390 11.50572 5716.325       296.1358 4973.263       421.9559 6437.560       415.7125 406.7896 17.72927 464.3335 15.28639 -57.54395      23.40942 
1 1 1 -25 10 19 o 132.3578 19.50592 539.0178       146.8799 378.4919       182.8898 830.6507       246.5105 108.2946 28.43744 162.0345 26.88209 -53.73991      39.13227 
1 1 1 -25 10 20 o 180.0198 14.56932 972.7205       152.5057 1077.770       188.4442 773.3244       259.6233 188.7179 17.21562 154.7939 29.67785 33.92397       34.30965 
1 1 1 -25 10 21 o 385.2646 10.64891 4398.017       240.3798 4141.856       326.8859 4699.648       354.7135 371.9668 15.01534 396.1064 15.29793 -24.13959      21.43564 
1 1 1 -25 10 22 o 150.5825 16.79188 689.5997       145.7738 726.2555       182.7114 625.4026       241.7979 153.1430 20.88693 137.9590 30.67833 15.18408       37.11366 
1 1 1 -25 10 23 o 69.59559 25.81058 125.0601       140.0878 154.9882       171.4834 65.01804       242.8902 76.68133 28.53425 76.02020 32.00439 0.6611328      42.87756 
1 1 1 -25 10 24 f 62.97820 24.92803 78.63502       136.5695 72.92863       168.2068 89.67298       233.9415 66.82590 27.23817 76.59401 31.76392 -9.768105      41.84333 
1 1 1 -25 10 25 o 52.65298 22.79060 -2.163552      129.4389 68.02787       162.9907 -122.0238      212.9896 65.29260 26.73647 58.39621 26.89862 6.896389       37.92591 
1 1 1 -25 10 26 o 47.51751 21.44234 -50.08419      126.7248 -150.1559      162.0687 107.3618       203.2869 47.65998 22.44753 73.61292 29.96672 -25.95293      37.44190 
1 1 1 -25 10 27 o 203.3439 12.53319 1247.049       148.7400 1272.110       199.2038 1215.474       223.6048 203.1389 16.87285 196.8688 19.62790 6.270096       25.88334 
1 1 1 -25 10 28 o 224.6049 11.34289 1516.746       148.9312 1316.373       198.4790 1774.937       225.3027 206.3455 16.53934 240.0888 16.09384 -33.74329      23.07729 
1 1 1 -25 10 29 o 171.9486 13.33160 901.6593       133.3913 921.1674       176.2274 875.4877       204.1187 171.3004 17.80067 164.4218 21.69665 6.878616       28.06436 
1 1 1 -25 10 30 o 66.59389 23.84235 134.4049       118.0367 139.1946       156.7232 128.1268       179.4296 70.37620 27.02938 71.12798 28.43555 -0.7517776     39.23223 
1 1 1 -25 10 31 o 108.8892 19.80367 386.9923       121.8108 358.2558       165.5328 420.9316       179.8950 100.5007 27.35685 108.6035 28.04869 -8.102829      39.18069 
1 1 1 -25 10 32 o 152.0942 14.84744 720.7586       130.7541 558.9551       174.0787 930.2189       198.0627 127.8626 24.09775 168.7955 20.42217 -40.93295      31.58745 
1 1 1 -25 10 33 o 115.5420 18.00170 432.8186       118.0111 439.3666       157.8154 424.5127       177.7416 111.9715 24.69648 107.5665 27.93082 4.404991       37.28333 
1 1 1 -25 10 34 o 97.84970 21.34174 326.2513       119.0164 240.6273       166.4747 415.7679       170.2168 81.53418 28.39234 106.4713 27.17259 -24.93712      39.29981 
1 1 1 -25 10 35 o 44.85459 20.42334 -40.17749      118.1328 45.46571       165.7314 -128.6338      168.4312 59.46175 25.76300 47.80249 22.62577 11.65927       34.28787 
1 1 1 -25 10 36 o 33.03957 16.31993 -222.7743      115.1882 -367.4482      154.2664 -40.47503      173.1685 35.33343 17.68299 53.48067 24.49377 -18.14724      30.20982 
1 1 1 -25 10 37 o 79.34064 25.09091 232.4323       130.7353 260.7070       178.7268 199.8928       191.7329 81.86334 29.33491 75.00682 29.58421 6.856522       41.66248 
1 1 1 -25 10 38 o 87.85091 24.51669 286.0517       131.0969 104.5205       176.7323 508.1392       195.4801 64.51028 27.23697 113.1417 29.24748 -48.63145      39.96583 
1 1 1 -25 10 39 o 160.1736 15.45723 827.4822       143.4005 991.2848       201.2783 658.6343       204.3546 169.7046 20.64778 130.7381 27.52393 38.96643       34.40781 
1 1 1 -25 10 40 o 144.8625 16.69193 689.3704       139.2224 -52.69939      398.7888 792.3670       148.5703 69.78226 33.51633 155.5341 16.54096 -85.75189      37.37576 
1 1 1 -25 11 1  o 412.9529 13.40074 5046.979       324.1189 4474.415       436.9205 5747.647       483.3322 386.8656 19.31826 438.7862 18.82581 -51.92065      26.97418 
1 1 1 -25 11 2  o 340.5621 13.86181 3436.713       276.2856 3049.362       364.5124 3959.710       423.5548 319.0985 19.57183 363.6343 19.93697 -44.53586      27.93813 
1 1 1 -25 11 3  o 650.2853 18.59875 12609.13       708.5850 0.000000       0.000000 12609.13       708.5850 ?        ?        650.2853 18.59875 0.000000       18.59875 
1 1 1 -25 11 4  o 502.5362 17.93471 7526.101       527.7343 0.000000       0.000000 7526.101       527.7343 ?        ?        502.5362 17.93471 0.000000       17.93471 
1 1 1 -25 11 5  o 410.0964 12.86566 4975.012       309.0515 4233.089       411.3039 5937.068       468.3641 376.4061 18.69030 446.2379 17.93296 -69.83179      25.90209 
1 1 1 -25 11 6  o 209.5629 17.01199 1313.797       207.2871 1158.669       258.4155 1593.736       347.1404 195.0765 23.03074 227.9815 26.45352 -32.90501      35.07426 
1 1 1 -25 11 7  o 298.9828 13.82445 2650.979       241.7505 2893.825       322.3178 2338.678       365.5161 311.3037 17.72754 278.1439 22.60175 33.15988       28.72464 
1 1 1 -25 11 8  o 472.8908 12.77959 6614.830       354.1032 7046.767       551.9301 6312.661       461.6357 485.3690 19.42853 460.3684 17.12778 25.00067       25.90036 
1 1 1 -25 11 9  o 244.4575 14.46880 1776.763       206.5093 2179.789       271.3135 1221.700       318.4022 270.1195 17.21596 198.4834 28.14080 71.63609       32.98930 
1 1 1 -25 11 10 o 72.20380 27.65134 113.7066       163.6979 -21.11514      194.7194 438.6398       302.2918 63.90071 27.80375 118.4517 38.22836 -54.55095      47.27003 
1 1 1 -25 11 11 o 377.3744 12.00185 4212.173       265.2887 4245.045       388.5363 4183.464       363.1034 376.9885 17.62205 374.6356 16.56709 2.352905       24.18688 
1 1 1 -25 11 12 o 206.3967 14.46463 1269.652       173.9812 1167.689       214.8419 1463.915       296.5462 196.7737 18.84673 218.9797 23.45576 -22.20595      30.08940 
1 1 1 -25 11 13 o 207.9235 14.17868 1288.189       171.8634 1203.045       212.1653 1450.681       293.0984 199.8358 18.30616 217.9088 23.29541 -18.07301      29.62755 
1 1 1 -25 11 14 o 159.5841 17.71448 769.6523       163.0040 920.9200       197.7690 449.1977       287.8515 174.1583 19.70854 118.5328 37.19691 55.62551       42.09557 
1 1 1 -25 11 15 o 95.00190 26.21259 284.9389       150.7996 191.1964       180.8041 499.1946       273.3418 83.13657 29.53624 123.7953 35.69323 -40.65874      46.32922 
1 1 1 -25 11 16 o 396.8305 13.73633 4682.306       319.2059 4581.862       396.8180 4866.471       537.3210 390.9464 17.35029 399.6540 23.02189 -8.707581      28.82776 
1 1 1 -25 11 17 o 378.0452 10.66113 4228.719       236.1367 4182.221       315.1711 4288.223       356.5370 374.5941 14.37280 378.5462 16.09636 -3.952057      21.57939 
1 1 1 -25 11 18 o 216.1276 15.15033 1400.138       190.8197 1183.103       216.1354 2167.216       406.3319 197.3670 18.90319 263.7013 26.63835 -66.33430      32.66393 
1 1 1 -25 11 19 f 246.7257 12.04721 1809.973       173.7947 1847.510       221.3751 1749.672       280.5817 248.2468 15.27932 239.6326 20.15122 8.614258       25.28892 
1 1 1 -25 11 20 o 126.6990 19.75046 496.4447       141.9742 591.2793       177.6919 329.0250       236.0953 137.4180 22.85035 102.0713 33.83629 35.34669       40.82932 
1 1 1 -25 11 21 o 45.78859 21.27871 -111.5061      137.7204 90.72612       167.9080 -527.2497      240.7459 69.17310 27.55617 46.95987 23.26732 22.21324       36.06537 
1 1 1 -25 11 22 o 323.9198 10.92184 3115.031       207.1869 3100.067       283.4368 3132.201       303.6159 321.3605 15.08087 322.5048 16.10326 -1.144348      22.06235 
1 1 1 -25 11 23 o 98.50127 26.00003 315.2734       152.3721 375.7580       192.8319 214.7294       248.6191 106.6259 29.72596 89.48447 34.12421 17.14141       45.25588 
1 1 1 -25 11 24 o 76.54829 25.21565 180.3252       131.1831 110.1581       160.8542 319.6784       226.6858 69.78544 27.22423 99.07752 33.16307 -29.29208      42.90627 
1 1 1 -25 11 25 o 53.38944 22.69957 16.04699       124.1980 -26.92277      153.2505 98.27612       211.9988 54.69048 24.20078 74.05194 30.42644 -19.36146      38.87732 
1 1 1 -25 11 26 o 112.4970 20.07394 403.0403       127.5826 489.7296       159.7236 250.2330       212.0597 122.8900 23.00699 88.83970 31.93907 34.05034       39.36275 
1 1 1 -25 11 27 o 142.0176 15.62798 622.1473       128.0164 709.0147       169.0081 505.2242       196.0782 149.6330 19.73984 121.4476 28.08866 28.18541       34.33124 
1 1 1 -25 11 28 o 130.2549 16.91817 531.0673       126.1897 518.7600       166.8056 547.5356       192.9548 125.1967 23.58279 126.7015 26.80500 -1.504799      35.70233 
1 1 1 -25 11 29 o 209.1573 11.53388 1320.823       140.9336 1486.453       192.6346 1130.064       206.7317 219.7552 15.03729 188.8848 18.91632 30.87035       24.16500 
1 1 1 -25 11 30 o 146.1839 15.36858 664.3791       129.7916 666.4918       175.0469 661.7992       193.4335 142.6767 21.59403 140.2249 24.40712 2.451782       32.58849 
1 1 1 -25 11 31 o 97.44250 22.25298 320.4396       124.3706 382.5505       167.3010 243.7132       185.9460 103.6905 27.18407 83.86433 29.93642 19.82615       40.43715 
1 1 1 -25 11 32 o 201.5698 11.88757 1238.551       139.9061 1164.120       197.5961 1313.377       198.1190 190.9375 17.85259 203.8894 16.71503 -12.95197      24.45622 
1 1 1 -25 11 33 o 161.1220 13.74262 805.5542       128.6214 900.6118       179.1814 704.5046       184.7424 166.7329 18.64276 144.2091 22.58428 22.52383       29.28484 
1 1 1 -25 11 34 o 140.6906 14.75656 622.8152       119.9491 584.3592       166.9812 663.8156       172.4166 130.6015 22.61955 140.1348 21.67805 -9.533325      31.33021 
1 1 1 -25 11 35 o 199.5173 11.92544 1223.339       138.9054 1100.167       188.5585 1369.503       205.4046 184.2450 17.66638 206.2550 17.13529 -22.01006      24.61136 
1 1 1 -25 11 36 o 60.10179 23.79193 100.1600       124.4166 178.9490       167.2670 2.581383       186.1465 72.37658 27.89104 57.94584 26.08209 14.43074       38.18619 
1 1 1 -25 11 37 o 151.6898 15.44958 737.2554       135.5271 512.0029       186.5842 988.8256       197.1831 115.4733 27.87173 171.2089 20.01504 -55.73561      34.31377 
1 1 1 -25 11 38 o 75.70690 25.38043 213.2510       132.7681 377.2524       180.3543 19.23384       196.1656 96.46112 29.30219 59.38157 26.74752 37.07956       39.67427 
1 1 1 -25 11 39 o 71.67361 24.96628 189.0557       128.7275 -70.05686      393.9489 220.0291       136.2042 69.27268 33.28215 76.20387 25.70780 -6.931190      42.05464 
1 1 1 -25 11 40 o 100.7915 24.78274 382.6413       145.4534 681.5298       410.2758 339.6740       155.5574 103.5699 42.41575 92.66516 26.98850 10.90476       50.27400 
1 1 1 -25 12 1  f 481.9937 15.26591 6893.582       430.9892 7205.910       571.4310 6481.486       656.3829 490.8012 19.89338 463.2134 24.24601 27.58783       31.36265 
1 1 1 -25 12 2  o 280.1644 14.84963 2331.915       243.1225 2157.359       305.0403 2635.906       402.5501 268.1664 19.52942 295.1583 23.44746 -26.99182      30.51527 
1 1 1 -25 12 3  o 697.7823 15.00362 14430.29       613.9974 12415.64       897.1232 16205.53       842.1305 641.6568 23.88126 736.5292 19.51289 -94.87244      30.83938 
1 1 1 -25 12 4  o 378.0844 12.68774 4228.679       280.9363 3415.201       366.1941 5392.363       437.9819 338.0186 18.54330 425.3389 17.59581 -87.32031      25.56299 
1 1 1 -25 12 5  o 223.0101 16.04450 1483.822       208.4436 1496.304       258.9450 1460.847       351.3221 222.8994 20.02143 217.4617 28.21113 5.437729       34.59372 
1 1 1 -25 12 6  o 283.3114 15.26379 2387.203       252.6798 2135.503       283.1989 3369.825       559.5562 267.1162 18.18606 331.0701 29.11488 -63.95392      34.32796 
1 1 1 -25 12 7  o 218.3798 14.84874 1420.109       189.0435 1466.515       236.0579 1337.129       315.6591 221.0549 18.37420 208.4636 26.41076 12.59132       32.17359 
1 1 1 -25 12 8  o 61.43106 26.48125 -7.133905      173.3460 45.56718       213.6808 -108.5778      296.4618 72.33484 30.20625 73.51584 33.01739 -1.181000      44.75003 
1 1 1 -25 12 9  o 253.6867 13.74831 1911.229       203.7848 2161.689       263.7807 1540.448       320.9465 269.0331 16.80198 224.3945 24.80103 44.63860       29.95659 
1 1 1 -25 12 10 o 183.4391 16.34331 1008.504       173.9866 1128.766       216.1625 787.2627       293.1896 193.3566 19.32054 156.7437 32.94204 36.61288       38.18980 
1 1 1 -25 12 11 o 84.34529 27.82292 210.5203       159.6945 215.6180       197.0059 200.7523       272.7072 87.74170 30.86234 92.76731 35.64820 -5.025612      47.15165 
1 1 1 -25 12 12 o 332.6546 11.76703 3275.064       229.2062 3460.969       319.9457 3079.066       328.5173 340.6412 16.06028 320.7325 17.53151 19.90872       23.77576 
1 1 1 -25 12 13 o 238.8396 13.10004 1694.994       182.7945 1736.020       235.4706 1632.777       289.9796 240.7207 16.78425 231.8166 21.57684 8.904129       27.33625 
1 1 1 -25 12 14 f 265.5325 20.51481 2134.234       316.9984 0.000000       0.000000 2134.234       316.9984 ?        ?        265.5325 20.51481 0.000000       20.51481 
1 1 1 -25 12 15 o 289.1567 11.60713 2478.025       196.4379 2366.226       249.9981 2658.445       317.5860 281.4822 15.20020 297.2180 18.30832 -15.73578      23.79582 
1 1 1 -25 12 16 o 291.8446 13.23588 2534.068       225.9555 2477.720       269.4292 2667.651       414.8424 287.6093 16.03668 294.5920 24.22492 -6.982788      29.05206 
1 1 1 -25 12 17 o 429.2856 10.56390 5449.472       265.9631 5325.638       364.9246 5589.774       388.4323 422.4644 14.75127 432.5247 15.33705 -10.06030      21.27969 
1 1 1 -25 12 18 o 413.0376 10.68122 5051.182       258.5214 5140.258       356.6643 4952.580       375.2523 414.9025 14.68075 406.6905 15.76275 8.211945       21.54039 
1 1 1 -25 12 19 o 218.5193 13.01207 1424.715       166.0029 1174.397       207.3120 1872.017       277.1274 196.6742 18.17889 248.2266 19.18500 -51.55247      26.42984 
1 1 1 -25 12 20 o 212.2773 12.67046 1344.365       157.0239 1428.434       198.7813 1204.850       256.0759 217.8720 15.66140 197.2873 22.53568 20.58472       27.44333 
1 1 1 -25 12 21 o 318.6471 10.80155 3012.871       201.5664 3240.930       274.4886 2745.960       296.9505 329.0797 14.25622 301.6424 16.85277 27.43726       22.07387 
1 1 1 -25 12 22 o 296.6517 11.27934 2617.186       195.8795 2498.993       256.2592 2783.301       303.7996 288.2173 15.21423 303.1887 17.15534 -14.97141      22.92986 
1 1 1 -25 12 23 o 93.45557 25.59269 283.7179       144.3665 207.7601       177.2341 433.4868       248.8696 83.34982 29.27630 113.0281 34.43839 -29.67830      45.20071 
1 1 1 -25 12 24 o 100.6845 23.57439 328.9266       136.7372 395.8414       171.7166 212.9705       226.0467 109.3857 26.94614 86.74319 32.66140 22.64250       42.34220 
1 1 1 -25 12 25 o 92.29139 24.00618 279.7701       131.1489 450.0066       169.0805 22.65494       207.7931 116.7858 25.41015 66.85434 28.90683 49.93148       38.48741 
1 1 1 -25 12 26 o 219.0625 11.50716 1440.613       147.3198 1401.285       190.3996 1499.282       232.5477 214.1769 15.25796 219.7449 18.20773 -5.567947      23.75556 
1 1 1 -25 12 27 o 269.5410 10.51399 2175.410       165.8858 2098.073       224.5871 2268.257       246.0792 262.1550 14.66597 271.9944 15.49044 -9.839355      21.33177 
1 1 1 -25 12 28 o 266.3766 10.20733 2125.524       159.1675 2112.126       219.9299 2140.260       230.6458 262.8765 14.31941 264.1470 14.94947 -1.270477      20.70102 
1 1 1 -25 12 29 o 220.0424 11.33143 1461.287       145.7392 1349.304       193.7179 1607.326       221.2225 208.5369 15.96060 227.0920 16.72768 -18.55507      23.12047 
1 1 1 -25 12 30 o 186.4428 12.57249 1059.396       136.6691 989.1155       186.5598 1140.800       200.7814 176.4777 18.28994 189.6340 18.27956 -13.15631      25.85854 
1 1 1 -25 12 31 o 147.2781 15.11873 677.1678       128.7362 498.2480       171.5955 907.5307       194.7077 119.8429 25.21421 166.8901 20.31083 -47.04720      32.37725 
1 1 1 -25 12 32 o 140.4730 14.87383 618.2307       120.6774 670.4541       167.8893 562.4069       173.5801 142.3113 20.72389 127.6940 24.06053 14.61732       31.75514 
1 1 1 -25 12 33 o 184.9901 12.42169 1051.102       133.9847 1107.068       187.9450 993.2654       191.0593 185.8990 17.44239 174.7174 18.94884 11.18159       25.75452 
1 1 1 -25 12 34 o 100.1572 21.47349 343.8020       122.3471 374.6381       162.9980 304.0090       185.1637 100.5775 27.04874 89.03343 29.97406 11.54407       40.37423 
1 1 1 -25 12 35 o 75.41551 24.96241 203.6288       128.5111 240.8116       166.5973 148.9933       201.9454 80.36340 28.37098 71.39585 29.55130 8.967552       40.96574 
1 1 1 -25 12 36 f 75.68164 24.86146 208.1661       127.5571 339.2012       172.7057 50.89411       189.2075 92.86993 28.76120 61.60176 27.08950 31.26818       39.51010 
1 1 1 -25 12 37 o 71.77249 24.81355 185.1874       127.0457 245.5001       182.0134 127.8842       177.4142 79.66699 29.44333 66.86092 27.68852 12.80607       40.41737 
1 1 1 -25 12 38 o 40.05587 19.18063 -129.1147      128.4166 -710.3713      421.4008 -69.61047      134.8296 56.58609 28.44508 44.92132 20.93573 11.66476       35.31894 
1 1 1 -25 12 39 o 48.00432 23.03803 -156.8982      187.5687 -171.8260      388.4576 -152.3597      214.1929 65.74119 31.93749 51.62714 24.73488 14.11404       40.39576 
1 1 1 -25 12 40 o 85.87640 27.09809 294.8514       152.5655 -200.5030      320.3883 440.1157       173.4995 59.67825 28.99497 104.8607 27.77477 -45.18247      40.15154 
1 1 1 -25 13 1  o 685.9009 17.79780 14016.79       715.3378 14283.86       987.3011 13721.67       1037.873 687.5654 24.52343 672.3351 26.37250 15.23035       36.01260 
1 1 1 -25 13 2  o 371.6905 13.20739 4090.677       287.4472 4115.943       384.5649 4058.689       432.7031 371.4172 17.70555 367.8974 20.13126 3.519806       26.80959 
1 1 1 -25 13 3  o 481.6924 15.23809 6888.195       429.9364 6052.269       503.0222 9154.304       828.2159 449.9040 19.10763 549.2846 25.78156 -99.38065      32.09035 
1 1 1 -25 13 4  o 606.5298 17.74396 10965.11       630.5014 0.000000       0.000000 10965.11       630.5014 ?        ?        606.5298 17.74396 0.000000       17.74396 
1 1 1 -25 13 5  o 472.2049 17.51833 6648.163       484.3063 0.000000       0.000000 6648.163       484.3063 ?        ?        472.2049 17.51833 0.000000       17.51833 
1 1 1 -25 13 6  o 149.4767 19.63042 678.7545       167.9341 734.6042       198.6293 538.7698       314.4653 154.7935 22.54126 129.3338 38.56044 25.45967       44.66560 
1 1 1 -25 13 7  o 497.8185 12.69989 7332.854       370.4818 8116.961       598.8660 6846.711       471.5456 520.5599 19.65119 479.4102 16.79722 41.14972       25.85181 
1 1 1 -25 13 8  o 219.8402 14.27083 1438.475       183.0010 1445.049       226.2877 1426.050       311.1162 219.4704 17.73147 215.6286 25.06853 3.841812       30.70564 
1 1 1 -25 13 9  o 130.9237 20.99249 526.7537       155.7426 549.8947       182.0305 463.5392       300.8581 132.9080 24.24609 120.7361 38.04729 12.17187       45.11618 
1 1 1 -25 13 10 o 57.80730 24.95429 -8.175541      154.3549 88.38670       185.2917 -227.1262      279.0136 72.15551 28.87943 64.69376 30.13938 7.461754       41.74211 
1 1 1 -25 13 11 o 46.97369 22.08968 -158.2935      155.8556 -212.1249      185.3587 -28.40035      287.9308 49.82178 23.62675 76.80086 33.60555 -26.97908      41.07988 
1 1 1 -25 13 12 o 127.3817 21.20490 500.7762       152.8475 468.0533       181.1057 581.7863       284.9545 121.6858 26.15591 133.3768 35.71723 -11.69104      44.27022 
1 1 1 -25 13 13 o 78.19089 26.43773 177.2827       144.0498 166.4027       168.1673 207.2651       279.1645 78.84103 28.42972 93.47583 36.02940 -14.63480      45.89517 
1 1 1 -25 13 14 o 195.2188 14.47181 1139.403       164.5112 1197.035       204.8049 1034.591       276.1964 199.1897 17.71631 181.8352 26.69362 17.35446       32.03775 
1 1 1 -25 13 15 o 152.4829 17.67933 705.7535       155.1754 656.1862       187.2794 814.3156       277.1607 145.3807 22.70718 159.0384 30.82839 -13.65778      38.28846 
1 1 1 -25 13 16 o 388.8576 13.51799 4500.161       307.8168 4284.568       378.6644 4920.175       528.5302 377.7353 17.13757 401.4634 22.53827 -23.72818      28.31378 
1 1 1 -25 13 17 o 479.5197 11.02739 6807.326       310.1200 6799.721       433.1995 6815.320       444.1577 476.8045 15.51227 477.1186 15.89524 -0.3140564     22.21011 
1 1 1 -25 13 18 o 446.1091 13.78146 5932.534       360.1354 5800.511       460.6184 6140.157       577.6363 438.6375 17.94332 448.2303 22.04127 -9.592773      28.42147 
1 1 1 -25 13 19 o 104.7336 23.52247 349.0613       140.9424 420.4079       169.2064 187.3831       254.7159 114.4408 25.82603 88.30267 34.31204 26.13814       42.94532 
1 1 1 -25 13 20 o 267.2696 11.43344 2123.283       178.8019 2119.713       230.5908 2128.667       283.1562 265.8223 14.85012 264.8350 18.34393 0.9872742      23.60139 
1 1 1 -25 13 21 f 105.0109 24.26533 354.3880       146.4407 343.5538       177.9289 377.1355       257.8184 102.5191 28.54422 107.3094 35.34996 -4.790253      45.43558 
1 1 1 -25 13 22 o 140.1408 17.73673 603.6464       142.5170 733.9818       174.9085 346.1786       245.8335 153.9009 19.83951 103.0261 34.53601 50.87484       39.82891 
1 1 1 -25 13 23 o 55.33379 23.37516 22.10921       130.2835 61.84700       155.6979 -70.69437      237.9378 63.67245 26.10887 65.25426 29.41961 -1.581818      39.33429 
1 1 1 -25 13 24 o 62.09970 24.44403 82.33992       130.6607 15.67093       162.7462 203.2425       219.1627 59.90016 25.73813 84.74702 32.10431 -24.84686      41.14776 
1 1 1 -25 13 25 o 184.3520 12.90528 1026.388       138.6481 1025.869       178.1590 1027.186       220.7832 182.4767 16.83730 180.0562 21.32101 2.420547       27.16763 
1 1 1 -25 13 26 o 200.7320 11.83596 1213.704       138.7199 1285.464       180.8784 1111.218       216.1627 204.8930 15.15990 187.5482 19.95868 17.34485       25.06335 
1 1 1 -25 13 27 o 130.3829 16.44494 530.4523       122.9570 509.7941       161.6028 558.8527       189.4805 124.3914 22.99869 128.4958 26.03650 -4.104462      34.73959 
1 1 1 -25 13 28 o 94.47424 22.11308 297.2438       120.3427 335.0245       155.1273 240.1422       190.7116 98.38748 26.35587 84.71634 30.30889 13.67114       40.16542 
1 1 1 -25 13 29 o 126.7668 18.46553 513.6157       133.2518 346.1085       174.3686 748.7662       206.5972 98.56309 28.53518 149.2986 24.43973 -50.73556      37.57069 
1 1 1 -25 13 30 o 237.8459 13.38988 1732.874       186.0226 1831.335       212.0091 1403.469       387.7817 243.2776 14.93136 190.9787 35.94056 52.29889       38.91875 
1 1 1 -25 13 31 o 163.7513 14.60065 834.5626       138.7500 653.9018       198.5407 1007.024       193.9831 136.9408 25.66373 176.5764 19.03209 -39.63562      31.95070 
1 1 1 -25 13 32 o 198.3314 11.88619 1201.725       137.6219 1104.390       187.1191 1316.416       203.1171 185.9546 17.35831 203.2711 17.19934 -17.31656      24.43621 
1 1 1 -25 13 33 o 181.9972 12.99401 1023.324       137.7818 1047.060       188.8641 996.3182       201.4500 179.8908 18.14942 173.6028 20.16060 6.288025       27.12658 
1 1 1 -25 13 34 o 184.6593 12.76214 1054.908       137.3617 1060.761       181.0602 1046.972       210.8405 181.3888 17.22661 176.7467 20.73379 4.642044       26.95638 
1 1 1 -25 13 35 o 59.10551 23.51887 93.50901       122.1755 183.6977       167.1562 -9.933325      179.0175 73.04324 27.94961 56.28790 25.43464 16.75534       37.79023 
1 1 1 -25 13 36 o 55.72053 24.97537 5.373957       168.7050 89.58347       453.4682 -8.153674      181.7511 79.05746 37.33088 56.35564 25.53064 22.70182       45.22618 
1 1 1 -25 13 37 o 52.15384 22.38610 37.18328       122.8728 -392.8207      450.6874 71.71171       127.7108 65.09782 32.17835 56.50837 23.45468 8.589447       39.81919 
1 1 1 -25 13 38 o 67.09047 28.30567 129.6666       190.6473 0.000000       0.000000 129.6666       190.6473 ?        ?        67.09047 28.30567 0.000000       28.30567 
1 1 1 -25 13 39 o 87.69563 26.95993 303.6721       152.0827 553.2584       373.0492 253.9230       166.5514 97.88889 40.30586 79.75780 28.34693 18.13108       49.27586 
1 1 1 -25 14 1  o 222.6319 50.36616 1690.978       642.1939 0.000000       0.000000 1690.978       642.1939 ?        ?        222.6319 50.36616 0.000000       50.36616 
1 1 1 -25 14 2  o 189.4525 17.77635 1078.411       195.2048 1112.373       239.7760 1011.663       336.1505 191.3228 21.75513 178.2645 33.37919 13.05827       39.84289 
1 1 1 -25 14 3  f 349.4332 17.17785 3643.453       350.9541 3643.453       350.9541 0.000000       0.000000 349.4332 17.17785 ?        ?        0.000000       17.17785 
1 1 1 -25 14 4  o 534.7332 17.28567 8524.320       541.3809 0.000000       0.000000 8524.320       541.3809 ?        ?        534.7332 17.28567 0.000000       17.28567 
1 1 1 -25 14 5  f 470.9544 12.58883 6563.352       347.3963 6747.293       521.6801 6416.792       465.6632 474.9044 18.76737 463.8719 17.14634 11.03247       25.42068 
1 1 1 -25 14 6  o 278.5517 13.26543 2302.048       216.0867 2625.773       290.3087 1899.877       323.5763 296.5337 16.76129 250.2796 22.27707 46.25404       27.87846 
1 1 1 -25 14 7  o 281.8664 12.76109 2355.441       210.4038 2712.765       278.3444 1879.059       321.3873 301.6827 15.78685 248.8356 22.25723 52.84711       27.28752 
1 1 1 -25 14 8  o 79.77090 26.54675 186.0549       145.2926 287.1602       167.1669 -126.2155      293.7846 95.78793 28.00001 71.93931 32.53772 23.84863       42.92673 
1 1 1 -25 14 9  o 71.67145 26.88278 122.0536       152.8177 121.7288       181.8444 122.8343       281.9496 75.21748 29.05574 86.90945 35.32420 -11.69196      45.73877 
1 1 1 -25 14 10 o 257.7802 13.28480 1974.225       200.1648 2003.357       256.1014 1928.492       320.8798 258.6266 16.97839 251.9740 21.93211 6.652588       27.73596 
1 1 1 -25 14 11 o 106.1609 23.90391 354.8895       145.2337 447.0540       169.7226 102.8429       280.6713 119.1020 25.09131 84.97533 34.97198 34.12669       43.04200 
1 1 1 -25 14 12 o 310.1920 12.11749 2852.815       220.0177 3163.485       295.5831 2466.823       329.4723 325.5430 15.52653 285.7754 19.78024 39.76758       25.14619 
1 1 1 -25 14 13 o 148.6947 17.73607 671.1138       151.6233 615.6926       175.7016 832.7745       300.0819 141.0737 21.94993 160.1195 33.05150 -19.04578      39.67621 
1 1 1 -25 14 14 o 346.1446 11.88670 3553.458       240.9485 3857.876       334.7672 3226.252       347.0712 359.0922 15.93564 327.3461 18.14948 31.74612       24.15260 
1 1 1 -25 14 15 o 165.2204 16.58532 824.7085       158.5370 907.5593       190.5670 638.4798       285.7082 172.5871 19.14923 138.6903 35.10104 33.89688       39.98470 
1 1 1 -25 14 16 o 420.8779 13.62142 5275.575       335.7814 5068.854       414.6347 5669.467       572.3494 410.6341 17.25556 430.4829 22.75095 -19.84875      28.55451 
1 1 1 -25 14 17 o 311.3888 11.05354 2875.362       201.5420 2903.387       265.0802 2836.967       310.2720 311.6426 14.54352 306.8333 17.31230 4.809296       22.61039 
1 1 1 -25 14 18 o 266.0827 12.25580 2107.080       190.7397 1814.177       247.5015 2535.468       299.3189 245.0350 17.33451 289.6923 17.70211 -44.65724      24.77600 
1 1 1 -25 14 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 14 20 o 95.59328 24.50337 293.9199       137.9995 257.0656       161.2837 394.6363       266.6222 89.86285 27.78777 109.5174 35.94192 -19.65456      45.43106 
1 1 1 -25 14 21 o 68.27106 25.81786 114.8106       141.5914 130.5695       168.6343 77.15154       260.6858 73.29673 28.06635 78.73930 33.15301 -5.442566      43.43779 
1 1 1 -25 14 22 o 293.8178 15.55017 2608.311       267.0021 2098.963       597.7756 2735.254       298.4250 240.4918 44.00365 300.0285 17.02979 -59.53673      47.18406 
1 1 1 -25 14 23 o 216.4967 12.58850 1407.137       159.1470 1437.650       205.7382 1361.678       251.1211 217.1700 16.27173 208.8585 20.77649 8.311539       26.38999 
1 1 1 -25 14 24 o 145.5606 15.87758 650.9924       133.3485 624.0536       165.2845 701.2194       225.6897 140.3164 20.70650 145.0313 27.54068 -4.714874      34.45646 
1 1 1 -25 14 25 o 46.12986 20.81416 -45.01717      119.3752 84.60994       149.0556 -276.8749      199.3477 64.22470 25.83421 47.77755 23.13229 16.44715       34.67721 
1 1 1 -25 14 26 o 146.0303 15.69469 659.5856       132.3074 589.1774       171.0795 764.3650       208.7008 134.3840 22.50183 152.3115 24.16998 -17.92744      33.02302 
1 1 1 -25 14 27 o 185.8955 12.36928 1047.861       134.0868 1004.772       173.6335 1111.521       211.0504 179.6377 16.67130 187.0479 19.52626 -7.410248      25.67503 
1 1 1 -25 14 28 o 222.8308 11.34011 1498.759       147.7110 1541.290       197.6771 1444.988       222.2682 223.4986 15.17096 214.3609 17.84157 9.137711       23.41964 
1 1 1 -25 14 29 o 144.8178 15.66698 654.9758       130.9469 604.8662       178.8987 712.8068       192.1884 134.1911 23.59255 146.1890 23.18942 -11.99792      33.08107 
1 1 1 -25 14 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 14 31 o 113.1041 19.70870 422.1400       125.9843 345.1535       171.3855 512.6472       185.8268 96.67310 28.37660 119.3049 27.16854 -22.63183      39.28563 
1 1 1 -25 14 32 o 161.6718 14.20846 814.9720       133.3509 798.4448       179.5613 835.2969       199.1259 155.5291 20.15952 157.3423 22.19481 -1.813187      29.98359 
1 1 1 -25 14 33 o 72.43998 24.35613 181.5014       122.2609 284.1967       164.2360 53.85313       183.1052 87.16023 28.18189 62.28503 27.03249 24.87521       39.05092 
1 1 1 -25 14 34 o 172.2010 13.99263 929.1726       140.0974 803.6139       191.2948 1074.423       205.7493 153.3043 21.89787 179.6727 19.85657 -26.36836      29.56011 
1 1 1 -25 14 35 o 55.33422 25.04652 -12.28355      174.4771 -741.3799      480.2604 98.57793       187.2728 61.26513 30.73778 65.36477 27.83539 -4.099640      41.46830 
1 1 1 -25 14 36 o 35.16261 17.25188 -202.2436      121.7273 -642.9742      497.9688 -174.2342      125.5358 63.53169 31.79144 37.26765 18.11652 26.26404       36.59104 
1 1 1 -25 14 37 f 36.89557 18.20304 -249.3519      141.8366 -515.3407      433.5323 -217.4685      150.0969 61.11066 30.43631 39.67469 19.40092 21.43597       36.09383 
1 1 1 -25 14 38 o 188.4582 15.01165 1138.922       164.5479 0.000000       0.000000 1138.922       164.5479 ?        ?        188.4582 15.01165 0.000000       15.01165 
1 1 1 -25 14 39 o 48.11992 22.40602 -62.50177      153.8746 -76.15717      399.5407 -60.12360      166.7361 68.68568 33.13085 50.09912 23.32626 18.58655       40.51873 
1 1 1 -25 15 1  o 298.3039 37.48655 2841.276       641.3741 0.000000       0.000000 2841.276       641.3741 ?        ?        298.3039 37.48655 0.000000       37.48655 
1 1 1 -25 15 2  o 412.1417 12.52417 5028.151       302.3722 4438.916       395.4957 5857.123       469.1022 385.4654 17.54064 442.6242 18.10923 -57.15875      25.21147 
1 1 1 -25 15 3  f 332.2795 19.64011 3317.098       381.0277 0.000000       0.000000 3317.098       381.0277 ?        ?        332.2795 19.64011 0.000000       19.64011 
1 1 1 -25 15 4  o 256.9958 13.55797 1961.818       203.6254 1690.177       249.9246 2498.185       351.1898 237.2757 18.09647 287.6755 20.95937 -50.39989      27.69075 
1 1 1 -25 15 5  o 234.3217 13.16727 1630.795       180.2221 1408.308       219.7851 2087.424       314.8675 216.6300 17.44677 262.9331 20.58282 -46.30312      26.98226 
1 1 1 -25 15 6  o 300.3581 12.03869 2671.621       211.6354 2621.977       272.7841 2746.686       335.4307 296.5209 15.74245 302.3704 19.01152 -5.849457      24.68325 
1 1 1 -25 15 7  o 43.44513 20.78010 -198.5884      149.8061 -163.9020      172.4012 -305.5101      302.6874 49.96641 23.41295 64.61518 30.50768 -14.64877      38.45627 
1 1 1 -25 15 8  o 71.61079 26.82107 122.7159       152.0014 232.4074       180.8563 -141.1539      280.5059 88.57404 29.62123 69.14484 31.47855 19.42921       43.22402 
1 1 1 -25 15 9  f 189.1776 15.74521 1072.545       173.1080 1074.916       212.9888 1067.931       297.1285 188.2989 19.57193 184.4838 28.36952 3.815094       34.46578 
1 1 1 -25 15 10 o 90.10282 25.29246 255.1341       139.0919 184.9746       156.5910 517.4639       302.7940 80.27335 27.55647 125.8035 37.91475 -45.53011      46.87096 
1 1 1 -25 15 11 o 287.3097 11.97914 2448.182       201.4061 2577.743       260.2314 2254.649       318.0533 293.8456 15.15162 272.9449 20.00794 20.90063       25.09760 
1 1 1 -25 15 12 o 59.45779 24.02043 53.11617       129.4713 31.96156       145.9263 131.3683       280.6590 59.93974 24.99094 86.78772 35.25489 -26.84798      43.21405 
1 1 1 -25 15 13 o 337.6336 11.68158 3380.140       230.9633 3457.279       312.5284 3287.316       342.8340 339.9587 15.71773 330.5825 17.74796 9.376251       23.70732 
1 1 1 -25 15 14 o 257.8882 12.55481 1978.109       189.3150 2186.231       241.3921 1645.558       305.1360 270.2422 15.29310 231.3794 22.78148 38.86279       27.43856 
1 1 1 -25 15 15 o 292.9130 12.02169 2548.863       206.0777 2510.878       276.2430 2596.529       309.4518 289.1362 16.35736 293.2799 18.07908 -4.143677      24.38066 
1 1 1 -25 15 16 o 211.7539 13.95905 1341.442       172.3887 1269.266       217.7028 1462.784       282.2751 204.4836 18.34813 217.8870 22.40887 -13.40338      28.96223 
1 1 1 -25 15 17 o 278.0686 11.84675 2298.608       192.7549 2090.564       247.2723 2620.826       307.7326 263.6526 16.06793 294.4456 17.90505 -30.79306      24.05763 
1 1 1 -25 15 18 o 235.5279 14.42399 1662.909       198.2852 1647.208       227.2923 1712.916       405.6336 233.5476 16.70460 230.5908 30.76112 2.956848       35.00415 
1 1 1 -25 15 19 o 184.1511 15.79356 1025.175       168.9253 794.7273       205.9176 1499.417       295.3981 159.3837 22.66755 219.4200 23.31154 -60.03630      32.51531 
1 1 1 -25 15 20 o 262.4545 11.66247 2052.325       179.0644 1945.844       224.0088 2240.789       298.0195 254.1876 15.09455 270.8731 18.87795 -16.68552      24.17069 
1 1 1 -25 15 21 o 273.3422 11.50792 2227.531       184.0693 2212.222       236.8626 2250.872       292.4708 270.8710 14.96839 271.2982 18.49222 -0.4271851     23.79107 
1 1 1 -25 15 22 o 101.4266 22.39870 331.7776       129.6734 308.0347       154.3435 388.7574       239.1010 96.60769 26.46482 106.7322 33.95381 -10.12451      43.04936 
1 1 1 -25 15 23 o 80.81270 24.07193 211.9960       122.5931 193.5246       146.1454 255.8562       225.2007 78.60803 26.62904 90.30883 32.85244 -11.70080      42.28934 
1 1 1 -25 15 24 o 175.7221 13.69757 937.7679       140.0484 916.6042       178.3726 971.7833       226.1358 171.6157 17.98936 173.9027 22.71478 -2.287048      28.97548 
1 1 1 -25 15 25 o 32.39195 16.07343 -262.7718      116.5339 -243.5951      142.7130 -301.1433      201.8744 38.75340 18.94342 47.05816 22.89811 -8.304768      29.71828 
1 1 1 -25 15 26 f 164.7605 14.08346 831.4126       134.7822 888.6006       172.4680 741.6902       216.0261 168.3369 17.73563 148.5467 25.72812 19.79022       31.24882 
1 1 1 -25 15 27 o 203.5678 12.46930 1258.095       148.1539 1373.338       199.5557 1116.567       221.1463 210.2236 16.31330 186.3843 20.57304 23.83929       26.25593 
1 1 1 -25 15 28 o 148.6575 15.23066 686.6230       130.9118 648.2786       172.2059 739.1232       201.5008 140.6147 21.56905 148.5799 23.93733 -7.965195      32.22142 
1 1 1 -25 15 29 o 70.70507 24.63329 161.7097       125.3195 132.6017       163.8259 202.7680       194.5703 69.52385 27.36963 79.30653 30.20117 -9.782677      40.75791 
1 1 1 -25 15 30 o 171.6958 13.56947 910.4233       135.5283 794.1714       181.3909 1057.334       203.9117 155.5314 20.37548 180.3921 19.58817 -24.86069      28.26406 
1 1 1 -25 15 31 o 154.2808 14.94069 746.1621       133.4964 660.1096       182.7205 844.6855       195.5128 139.0218 23.22965 159.0562 21.50996 -20.03447      31.65905 
1 1 1 -25 15 32 o 242.8307 10.97951 1793.169       155.9596 1672.297       216.9503 1922.435       224.3566 229.7244 16.20687 247.0763 15.56212 -17.35194      22.46870 
1 1 1 -25 15 33 o 110.2113 20.43509 410.7500       127.2225 435.4676       169.7557 379.0776       192.1594 108.4674 26.83448 98.09638 30.33073 10.37098       40.49744 
1 1 1 -25 15 34 f 48.35522 21.62909 -12.30082      125.8186 -396.6227      451.5045 20.05606       131.0080 66.46918 32.73298 52.13500 22.74327 14.33418       39.85855 
1 1 1 -25 15 35 o 101.2908 23.82560 370.9305       139.1495 0.000000       0.000000 370.9305       139.1495 ?        ?        101.2908 23.82560 0.000000       23.82560 
1 1 1 -25 15 36 o 50.00197 22.13223 6.544408       128.2586 -87.02885      427.0901 15.81981       134.4652 71.59670 34.46406 51.76591 22.79784 19.83080       41.32207 
1 1 1 -25 15 37 o 53.13702 23.50477 19.42578       144.4339 -206.9371      363.0339 61.99398       157.4299 63.38906 30.81314 58.40417 25.20673 4.984886       39.80991 
1 1 1 -25 15 38 o 78.66006 25.93421 237.6703       138.7553 538.4142       373.0160 189.3732       149.4822 97.07865 40.17043 71.62783 26.64344 25.45082       48.20308 
1 1 1 -25 16 1  o 205.5499 30.08666 1326.214       351.9565 0.000000       0.000000 1326.214       351.9565 ?        ?        205.5499 30.08666 0.000000       30.08666 
1 1 1 -25 16 2  o 207.7785 15.74518 1291.154       190.4382 1186.650       227.3252 1537.099       348.7382 197.9964 19.84388 222.7697 27.26005 -24.77330      33.71780 
1 1 1 -25 16 3  o 358.9073 16.37817 3844.109       343.8365 3844.109       343.8365 0.000000       0.000000 358.9073 16.37817 ?        ?        0.000000       16.37817 
1 1 1 -25 16 4  o 260.3717 22.05789 2058.386       333.6616 0.000000       0.000000 2058.386       333.6616 ?        ?        260.3717 22.05789 0.000000       22.05789 
1 1 1 -25 16 5  o 282.4247 12.64410 2366.041       208.9000 2213.812       266.6074 2608.135       336.2144 271.9749 16.79642 294.2483 19.59447 -22.27335      25.80819 
1 1 1 -25 16 6  o 81.07447 27.09038 192.8394       151.2763 193.0330       176.8485 192.3114       292.0575 83.10523 29.24008 93.47353 36.61992 -10.36830      46.86150 
1 1 1 -25 16 7  o 114.8823 22.57406 412.1022       146.6676 452.8078       170.0187 293.6929       289.9764 119.8860 24.99228 102.3875 37.27414 17.49847       44.87733 
1 1 1 -25 16 8  o 346.2162 23.56224 3656.896       475.5748 0.000000       0.000000 3656.896       475.5748 ?        ?        346.2162 23.56224 0.000000       23.56224 
1 1 1 -25 16 9  o 176.6733 15.55802 937.0599       159.5589 1002.563       187.0470 762.0256       305.7608 182.1751 17.73106 152.3666 34.96027 29.80856       39.19962 
1 1 1 -25 16 10 o 183.6450 14.07345 1008.270       150.4210 912.6942       175.8840 1268.543       290.2468 173.7496 17.49853 202.2899 24.99605 -28.54028      30.51231 
1 1 1 -25 16 11 o 199.8576 13.49187 1191.844       157.2137 1174.969       186.2695 1233.633       293.1320 197.6797 16.20902 199.0085 25.71607 -1.328827      30.39816 
1 1 1 -25 16 12 o 33.60308 16.62835 -272.9745      121.5360 -279.9741      135.4041 -243.9583      275.6845 36.38869 17.92085 62.88937 29.51247 -26.50068      34.52742 
1 1 1 -25 16 13 o 178.5872 15.06206 957.9883       156.2865 1185.646       186.8786 428.3097       285.0527 198.4578 16.19687 114.9167 37.12532 83.54111       40.50467 
1 1 1 -25 16 14 f 353.0464 11.75083 3699.344       242.9658 3728.617       337.9512 3668.027       349.5535 352.4542 16.39428 349.2099 17.11994 3.244232       23.70369 
1 1 1 -25 16 15 o 369.7231 11.74121 4058.138       254.2664 4134.087       358.1618 3980.968       361.0292 370.9688 16.50365 363.7732 16.96913 7.195618       23.67112 
1 1 1 -25 16 16 o 197.5634 13.60893 1167.989       156.7183 961.1879       188.1432 1636.665       283.2360 177.6443 18.32121 230.9984 21.14102 -53.35417      27.97516 
1 1 1 -25 16 17 o 184.2092 16.40145 1026.634       175.3410 975.6776       195.8573 1232.349       393.5239 178.6158 18.98750 191.6568 36.33981 -13.04092      41.00130 
1 1 1 -25 16 18 o 265.5452 13.80633 2111.215       214.2759 2005.242       246.2110 2442.081       435.0487 257.6997 16.37553 277.8924 27.03515 -20.19272      31.60786 
1 1 1 -25 16 19 o 245.0784 12.91238 1796.506       184.9382 1741.535       237.2490 1881.637       295.2453 239.5805 16.99538 247.2028 20.55042 -7.622284      26.66764 
1 1 1 -25 16 20 o 285.6675 11.46953 2432.179       191.7666 2544.027       245.2123 2256.063       307.7009 290.8242 14.42175 271.0257 19.48844 19.79849       24.24430 
1 1 1 -25 16 21 o 38.54729 18.57417 -177.7130      124.8005 -143.6785      145.0359 -274.7953      244.9548 44.85361 21.15927 55.72110 26.63012 -10.86749      34.01291 
1 1 1 -25 16 22 o 234.0036 11.82015 1641.325       161.6916 1714.529       210.0352 1534.825       253.3367 237.5399 15.15570 222.0705 19.65438 15.46933       24.81915 
1 1 1 -25 16 23 f 123.8881 17.78352 480.3863       125.5112 524.4145       151.5210 384.1301       224.0380 128.0958 20.88829 104.6244 32.81349 23.47141       38.89789 
1 1 1 -25 16 24 o 61.24330 23.53664 92.85431       118.8886 111.1957       142.8160 51.45382       214.5671 66.44715 25.72751 68.99461 29.59794 -2.547462      39.21662 
1 1 1 -25 16 25 o 209.3245 12.46729 1326.508       152.3599 1349.120       197.3891 1293.178       239.6451 208.8581 16.24227 201.3662 20.58146 7.491867       26.21846 
1 1 1 -25 16 26 o 205.9056 12.39539 1285.894       148.9922 1296.166       193.6212 1270.980       233.2950 204.3028 16.29444 199.3600 20.23335 4.942810       25.97878 
1 1 1 -25 16 27 o 75.91599 24.83003 191.3176       127.2944 215.9488       162.7229 152.4734       204.3475 80.42937 28.06655 75.53934 30.29591 4.890030       41.29859 
1 1 1 -25 16 28 o 190.4571 13.55630 1113.477       150.4321 1158.055       205.7574 1062.285       220.4925 190.5560 18.64972 180.3376 21.25548 10.21841       28.27733 
1 1 1 -25 16 29 o 105.1701 21.67493 372.0651       129.2430 423.3473       169.7186 301.2750       199.4033 108.9198 26.76358 90.32755 31.09290 18.59229       41.02509 
1 1 1 -25 16 30 o 143.6918 15.19282 648.6953       126.0961 537.5542       168.3799 790.6186       190.2742 124.8575 23.86422 153.8244 21.69293 -28.96686      32.25033 
1 1 1 -25 16 31 f 171.2289 13.78060 910.9372       137.2193 984.7932       192.1089 834.0070       196.0663 173.6858 19.17862 157.4535 21.81802 16.23228       29.04902 
1 1 1 -25 16 32 o 132.1046 17.70783 567.0095       133.7415 598.7252       189.2202 535.3482       189.0581 129.1237 25.88886 120.5515 27.36833 8.572227       37.67305 
1 1 1 -25 16 33 o 56.41778 23.33036 67.03406       125.7123 45.90723       494.8907 68.49133       129.9757 80.85059 38.41774 57.10272 23.67807 23.74787       45.12842 
1 1 1 -25 16 34 o 87.86591 26.57975 292.2351       148.6131 505.4491       499.4323 271.5222       155.6645 96.36143 43.09807 84.31715 27.45005 12.04429       51.09745 
1 1 1 -25 16 35 o 54.95495 23.47824 48.58117       133.9992 706.4086       475.9023 -8.062815      139.6493 105.6475 44.65480 50.59208 22.69626 55.05540       50.09164 
1 1 1 -25 16 36 o 65.98928 25.51664 143.9998       140.3472 -6.486219      447.6526 160.4040       147.7989 74.34016 35.65429 68.36121 26.25032 5.978951       44.27536 
1 1 1 -25 16 37 o 161.7749 20.59778 901.9559       191.0004 617.1412       416.4752 977.8143       214.9363 100.1614 42.02196 166.0146 22.66701 -65.85320      47.74556 
1 1 1 -25 16 38 o 66.14173 25.65415 149.4730       142.1906 70.51077       438.7933 158.7375       150.3008 74.90047 35.75388 67.58201 26.32990 7.318466       44.40274 
1 1 1 -25 17 1  o 119.0948 24.50603 446.0159       165.4534 359.3625       189.5318 723.5400       339.1873 106.1417 29.42544 147.5582 38.71721 -41.41649      48.63002 
1 1 1 -25 17 2  o 406.1741 12.29463 4888.370       292.5352 4554.660       392.1024 5307.307       439.3282 390.1269 17.17945 420.8565 17.83983 -30.72961      24.76677 
1 1 1 -25 17 3  o 189.9057 16.01003 1082.050       176.6528 1119.385       208.5654 987.2737       332.2985 192.3927 18.72076 174.8696 33.62236 17.52318       38.48285 
1 1 1 -25 17 4  o 232.1018 13.26555 1602.728       179.8216 1453.430       213.1683 1971.113       334.8476 220.0731 16.63929 254.1491 22.70393 -34.07596      28.14844 
1 1 1 -25 17 5  o 254.6246 22.59879 1978.820       333.9692 0.000000       0.000000 1978.820       333.9692 ?        ?        254.6246 22.59879 0.000000       22.59879 
1 1 1 -25 17 6  o 248.2076 13.29688 1833.063       192.8535 1782.813       231.1486 1948.163       349.8345 243.9028 16.25208 251.9302 23.96561 -8.027374      28.95653 
1 1 1 -25 17 7  o 241.5733 13.65273 1738.522       192.6406 1689.279       236.0339 1836.764       333.3855 237.0658 17.09150 244.6602 23.52406 -7.594406      29.07750 
1 1 1 -25 17 8  o 320.4865 12.25419 3048.077       229.9026 3158.230       301.1174 2894.120       355.9913 324.9488 15.84828 309.3669 19.72343 15.58182       25.30182 
1 1 1 -25 17 9  o 112.5283 21.68440 395.6711       137.9174 393.0579       156.5159 404.7484       291.7055 111.3541 24.62114 112.9585 37.61572 -1.604416      44.95713 
1 1 1 -25 17 10 o 269.0270 12.40382 2150.947       195.1784 2293.362       240.7077 1877.573       333.4951 277.0137 14.87075 247.1572 23.28155 29.85652       27.62553 
1 1 1 -25 17 11 o 327.7947 11.55244 3186.792       221.7413 3284.411       296.0526 3062.050       334.6645 331.3958 15.27358 318.7617 17.97447 12.63406       23.58736 
1 1 1 -25 17 12 o 214.1063 12.60719 1365.610       157.6057 1272.128       189.3195 1576.659       284.4624 205.6944 15.81492 226.8110 21.64734 -21.11667      26.80893 
1 1 1 -25 17 13 f 147.4320 16.80046 659.7698       142.6767 847.5244       166.5720 142.5482       276.4682 167.1810 17.23562 86.69724 35.07349 80.48371       39.07962 
1 1 1 -25 17 14 o 437.5522 11.86355 5684.401       304.1543 5881.609       455.1530 5525.282       408.8424 441.8272 17.60047 429.0462 16.27757 12.78098       23.97365 
1 1 1 -25 17 15 o 343.4211 11.63298 3502.982       233.9597 3350.498       317.7336 3683.575       345.7809 333.8244 16.27818 349.7220 16.90894 -15.89752      23.47107 
1 1 1 -25 17 16 o 262.5926 13.58338 2061.449       208.4790 2106.796       243.4233 1936.637       403.8445 264.6054 15.75738 246.7434 28.42621 17.86201       32.50146 
1 1 1 -25 17 17 o 163.8255 16.29092 814.7211       154.4510 707.3203       182.9229 1081.444       288.2667 150.7232 21.28547 183.7363 27.60413 -33.01302      34.85770 
1 1 1 -25 17 18 o 273.4022 12.28708 2230.898       196.5125 1890.786       251.8902 2759.829       314.1231 249.4865 17.32285 301.3072 17.85631 -51.82077      24.87828 
1 1 1 -25 17 19 o 127.1522 19.24190 503.4822       139.0088 346.6252       164.1101 901.8445       261.5306 102.7079 26.92219 166.5982 27.74226 -63.89024      38.65795 
1 1 1 -25 17 20 o 286.2063 11.46561 2445.506       192.0645 2580.990       257.0274 2274.196       289.0189 292.1828 15.05013 272.3306 18.20034 19.85223       23.61692 
1 1 1 -25 17 21 o 91.24590 24.28952 273.7159       132.2719 251.9662       159.7847 321.0732       235.7772 87.66620 27.74068 98.05262 33.80769 -10.38642      43.73220 
1 1 1 -25 17 22 o 247.0139 11.79635 1831.872       170.3974 1916.042       229.2524 1727.972       254.7095 250.4269 15.68808 235.8889 18.56083 14.53806       24.30268 
1 1 1 -25 17 23 o 110.0519 20.03713 388.9860       124.5623 421.6287       152.4977 323.5480       215.9161 112.8428 23.79356 96.51247 32.36655 16.33035       40.17122 
1 1 1 -25 17 24 o 138.0020 15.68269 590.1873       124.6791 525.0369       152.3921 722.0828       216.8297 127.3612 21.14317 146.4333 26.21055 -19.07207      33.67531 
1 1 1 -25 17 25 o 141.2678 16.06039 621.6973       130.7013 687.5535       161.9459 498.6598       221.3555 146.8390 19.26977 117.1048 31.53311 29.73418       36.95485 
1 1 1 -25 17 26 o 123.2650 18.71724 486.4659       131.0629 418.4046       169.2777 588.3287       207.0890 109.6996 26.59134 129.5789 28.06407 -19.87930      38.66124 
1 1 1 -25 17 27 o 63.70907 23.98147 114.5370       121.8460 294.3338       155.6720 -169.8191      195.7721 91.36633 27.10370 51.14437 24.26194 40.22196       36.37654 
1 1 1 -25 17 28 o 177.8492 13.58586 974.0898       140.6338 813.2603       180.5971 1221.870       224.1616 158.1884 19.90617 194.1745 19.96855 -35.98605      28.19572 
1 1 1 -25 17 29 o 44.99706 20.46381 -43.45971      118.1589 -67.65899      151.2898 -5.613076      189.2004 49.25581 22.68179 59.24276 26.50938 -9.986950      34.88855 
1 1 1 -25 17 30 o 155.7756 14.06671 755.6288       127.1283 805.9870       175.1745 699.5946       184.7832 156.9426 19.44758 143.5094 22.70987 13.43321       29.89893 
1 1 1 -25 17 31 o 91.28551 28.29163 313.0542       167.0766 -102.0204      479.1562 370.5059       178.2648 77.44176 37.07403 98.73618 28.92912 -21.29443      47.02529 
1 1 1 -25 17 32 o 76.18880 24.23363 206.5441       121.8022 171.2712       508.1638 208.6941       125.4594 85.86702 40.22263 76.45839 24.62343 9.408630       47.16114 
1 1 1 -25 17 33 o 97.51992 24.07103 343.4147       136.8246 886.7038       475.7712 294.4307       142.8596 119.3129 46.74038 88.92216 25.85354 30.39069       53.41412 
1 1 1 -25 17 34 o 93.70174 22.88983 314.3849       124.6931 398.3181       455.1205 307.5732       129.6542 91.21851 40.94335 91.95070 23.84468 -0.7321930     47.38066 
1 1 1 -25 17 35 o 100.1168 23.00114 360.6057       132.2108 508.5178       426.4715 344.8788       139.0620 95.67506 41.39045 96.59399 24.51127 -0.9189224     48.10376 
1 1 1 -25 17 36 o 85.84751 26.21933 284.8697       144.1411 -115.1669      380.1299 352.0478       155.7744 67.27138 32.41540 95.06261 26.79514 -27.79123      42.05636 
1 1 1 -25 17 37 o 34.72647 17.19192 -247.7064      130.4442 178.5381       393.1158 -300.4450      138.2788 77.96820 36.13571 34.25213 17.08008 43.71607       39.96897 
1 1 1 -25 18 1  o 445.2434 13.83583 5894.716       360.8493 5780.549       455.3981 6087.342       591.5319 438.9664 17.72571 447.3513 22.61990 -8.384918      28.73779 
1 1 1 -25 18 2  o 350.1616 12.14505 3636.130       249.0350 3284.304       311.7151 4256.929       414.0654 331.3637 16.08800 376.0197 18.83619 -44.65601      24.77147 
1 1 1 -25 18 3  f 345.3778 11.89320 3536.205       240.5443 3131.828       305.1003 4200.455       391.0342 323.5247 16.13082 373.9617 17.88123 -50.43692      24.08198 
1 1 1 -25 18 4  o 317.2010 11.99174 2984.234       222.6817 2658.507       280.3320 3541.216       366.5779 297.9995 16.09987 343.0693 18.28545 -45.06982      24.36316 
1 1 1 -25 18 5  o 335.6206 18.91458 3396.555       370.7958 0.000000       0.000000 3396.555       370.7958 ?        ?        335.6206 18.91458 0.000000       18.91458 
1 1 1 -25 18 6  o 141.4740 19.25516 612.5947       155.6197 400.5160       176.2829 1361.483       331.2609 111.8284 27.15378 208.2379 27.81973 -96.40958      38.87499 
1 1 1 -25 18 7  o 229.2186 13.75264 1567.424       184.0284 1570.858       220.0997 1559.448       335.4775 228.6120 16.52768 223.8373 26.04091 4.774704       30.84304 
1 1 1 -25 18 8  o 106.7453 44.87158 180.1849       476.3163 0.000000       0.000000 180.1849       476.3163 ?        ?        106.7453 44.87158 0.000000       44.87158 
1 1 1 -25 18 9  o 46.64664 21.67056 -116.3513      142.6634 -200.4148      159.9747 210.2211       315.3096 45.25270 21.59784 95.96695 37.91138 -50.71425      43.63187 
1 1 1 -25 18 10 o 331.7694 11.82568 3267.187       229.7300 3407.645       309.0893 3093.829       343.3850 337.3092 15.66727 320.1128 18.36770 17.19644       24.14199 
1 1 1 -25 18 11 o 46.24798 20.89027 -57.20078      120.6329 36.30294       134.4608 -442.9492      273.1074 58.21970 24.10692 54.60919 26.58611 3.610512       35.88823 
1 1 1 -25 18 12 f 173.5347 15.26844 906.6100       153.8102 1052.420       178.4594 485.4350       303.3036 186.6852 16.46836 120.8272 38.21800 65.85800       41.61517 
1 1 1 -25 18 13 o 240.6179 12.63982 1725.467       177.7434 1858.875       219.4539 1471.068       303.0479 248.9305 15.10299 217.4860 24.16664 31.44450       28.49783 
1 1 1 -25 18 14 o 249.4736 12.59552 1855.321       183.6892 1643.136       228.0519 2247.280       309.9535 233.2483 16.78333 271.5939 19.59089 -38.34563      25.79696 
1 1 1 -25 18 15 o 230.6857 12.73189 1588.879       171.5838 1469.149       209.0854 1835.801       300.2627 220.5428 16.27993 244.3122 21.16442 -23.76942      26.70148 
1 1 1 -25 18 16 o 191.1460 25.72595 1158.135       281.0793 0.000000       0.000000 1158.135       281.0793 ?        ?        191.1460 25.72595 0.000000       25.72595 
1 1 1 -25 18 17 o 55.97454 23.84636 13.95136       137.5422 -86.77504      160.6845 290.0486       266.0317 51.88141 23.69813 97.81805 35.68813 -45.93663      42.83975 
1 1 1 -25 18 18 o 185.3096 14.10707 1035.557       152.1630 855.9221       180.4160 1478.198       283.2076 166.5671 18.79657 217.2858 22.55163 -50.71864      29.35791 
1 1 1 -25 18 19 o 99.50298 22.12432 319.0933       125.7681 307.1808       146.1743 353.0485       246.7867 96.66080 25.44282 102.6008 34.60434 -5.939980      42.95110 
1 1 1 -25 18 20 o 99.76693 23.33979 325.4854       134.1214 432.2836       164.3893 112.8586       231.9532 114.4921 25.16926 77.01208 31.75342 37.47997       40.51878 
1 1 1 -25 18 21 f 62.61162 23.77408 99.27316       120.3521 136.5687       141.3577 1.005380       229.4544 69.96533 25.93109 67.62406 29.78136 2.341270       39.48862 
1 1 1 -25 18 22 o 104.6269 21.74645 357.3446       129.0788 461.4117       156.5112 136.0272       228.2426 118.4147 23.36677 77.52943 31.68038 40.88528       39.36562 
1 1 1 -25 18 23 o 176.3497 13.30154 946.3801       136.5569 894.7886       169.5614 1041.603       230.3612 169.3416 17.31667 179.3944 22.38071 -10.05283      28.29776 
1 1 1 -25 18 24 o 96.65923 22.58745 311.5931       125.7284 259.6748       152.1629 423.3156       223.2128 87.06371 27.00212 107.4248 32.59134 -20.36108      42.32387 
1 1 1 -25 18 25 o 53.34414 22.50592 31.57882       120.5240 3.537459       145.4177 93.10663       215.4038 54.69868 23.90950 71.34551 30.09343 -16.64683      38.43538 
1 1 1 -25 18 26 o 104.3157 21.77657 362.5267       128.9166 319.4930       162.5709 435.4332       211.6030 94.96727 27.57032 108.3402 31.45490 -13.37289      41.82742 
1 1 1 -25 18 27 o 55.93325 23.15599 53.61783       124.0312 20.17767       157.9881 107.3364       200.2407 57.54204 25.04063 70.13434 29.26059 -12.59230      38.51254 
1 1 1 -25 18 28 o 68.42260 24.03486 151.7846       119.4547 221.7541       148.9447 25.64293       199.9862 79.63815 26.88327 62.92019 27.75279 16.71795       38.63843 
1 1 1 -25 18 29 o 116.9649 18.43072 445.8001       122.2493 298.8000       157.0687 671.6866       194.7045 90.45702 27.31725 138.9491 24.80302 -48.49206      36.89745 
1 1 1 -25 18 30 o 135.8896 14.04715 577.4404       110.3382 1376.980       479.7216 532.7805       113.3779 164.1461 47.27259 129.8175 15.17785 34.32857       49.64942 
1 1 1 -25 18 31 o 180.9651 16.28779 1045.360       171.0174 0.000000       0.000000 1045.360       171.0174 ?        ?        180.9651 16.28779 0.000000       16.28779 
1 1 1 -25 18 32 o 56.60370 23.21296 71.85438       123.0921 267.5078       433.1122 54.66248       128.3863 86.95951 39.40161 55.32274 23.27822 31.63677       45.76420 
1 1 1 -25 18 33 o 47.21488 21.42504 -29.32551      128.6396 776.0477       438.0304 -105.3422      134.5737 113.5410 44.73668 42.91127 20.28486 70.62975       49.12072 
1 1 1 -25 18 34 o 86.09416 25.38264 277.8791       136.8744 209.5617       434.8373 285.3925       144.2047 82.43158 38.13458 86.69772 26.17314 -4.266136      46.25235 
1 1 1 -25 18 35 o 194.5247 12.68154 1181.564       143.8876 815.4479       405.8332 1234.203       153.8843 115.8083 43.72855 198.2141 13.31484 -82.40586      45.71073 
1 1 1 -25 18 36 o 150.7005 17.65237 753.5836       153.0624 154.5941       374.2862 873.8727       167.7287 76.62782 35.42509 162.0637 17.94746 -85.43590      39.71207 
1 1 1 -25 18 37 o 94.72871 26.34394 350.9841       151.6531 118.2807       414.7929 386.8896       162.9333 75.61020 35.70320 98.69872 27.25225 -23.08852      44.91552 
1 1 1 -25 19 1  o 95.95337 25.25884 292.6293       144.0598 258.2250       159.9453 440.4775       331.5684 90.77914 27.59825 117.6770 40.10633 -26.89783      48.68451 
1 1 1 -25 19 2  o 443.2899 13.58355 5845.361       352.7271 5252.371       425.8793 7140.692       629.4379 418.2743 17.39899 484.3409 22.21824 -66.06662      28.22012 
1 1 1 -25 19 3  o 382.6647 11.88995 4342.761       266.5150 4015.952       347.2831 4811.006       415.6931 366.2008 16.21031 400.0551 17.76179 -33.85428      24.04694 
1 1 1 -25 19 4  o 111.2125 23.74089 390.9375       150.1322 334.8815       155.0191 1238.204       602.6767 102.4194 25.81918 183.5028 53.02771 -81.08346      58.97939 
1 1 1 -25 19 5  o 212.1334 13.30105 1342.216       164.6472 1183.271       190.9462 1802.961       325.1014 198.1846 16.58002 242.1339 23.17607 -43.94928      28.49610 
1 1 1 -25 19 6  o 350.1153 18.32902 3696.221       375.0469 0.000000       0.000000 3696.221       375.0469 ?        ?        350.1153 18.32902 0.000000       18.32902 
1 1 1 -25 19 7  o 213.7299 13.97293 1365.401       174.1868 1490.589       208.8666 1079.473       315.6576 222.6763 16.10230 183.4561 30.40204 39.22018       34.40302 
1 1 1 -25 19 8  o 151.7664 16.79492 698.2980       146.9887 742.1917       163.7679 516.4206       333.3627 156.0746 18.23470 124.5737 40.13970 31.50093       44.08741 
1 1 1 -25 19 9  o 160.2461 16.20806 776.2715       150.2323 864.9014       170.7743 472.9176       315.9420 168.8270 17.50121 119.8280 39.11327 48.99908       42.85021 
1 1 1 -25 19 10 o 135.1593 49.03273 614.5842       501.1859 0.000000       0.000000 614.5842       501.1859 ?        ?        135.1593 49.03273 0.000000       49.03273 
1 1 1 -25 19 11 o 260.4537 12.93174 2022.247       196.9146 2107.964       245.5706 1867.870       329.5615 264.8426 15.88321 245.9199 23.12159 18.92264       28.05146 
1 1 1 -25 19 12 o 74.43187 25.50038 161.3838       134.0775 130.6866       151.8437 270.0191       285.6489 71.90041 26.83187 98.18912 36.76949 -26.28870      45.51862 
1 1 1 -25 19 13 o 257.7631 12.66162 1981.729       190.8226 2104.023       240.2197 1772.585       314.1431 264.4965 15.55463 239.3391 22.64964 25.15744       27.47640 
1 1 1 -25 19 14 o 154.9035 17.67863 733.4678       157.7335 693.2644       188.6291 826.9402       287.6200 148.7991 22.30132 157.9370 32.14611 -9.137848      39.12444 
1 1 1 -25 19 15 o 101.1799 23.75171 329.2207       138.5121 329.8685       161.0397 327.3791       271.5359 100.5900 26.81202 102.0789 36.20329 -1.488846      45.05066 
1 1 1 -25 19 16 o 268.9135 12.30393 2160.071       193.5328 2228.033       248.8785 2056.111       307.8129 271.5784 15.69261 258.2050 20.49495 13.37344       25.81281 
1 1 1 -25 19 17 o 234.0653 12.66059 1641.744       173.1498 1561.171       214.1927 1793.693       294.1441 226.6820 16.21871 240.2559 21.08919 -13.57390      26.60452 
1 1 1 -25 19 18 o 58.87747 23.29481 69.83111       119.2127 36.23338       136.1760 180.0468       246.6422 57.64247 24.09543 84.71787 33.51043 -27.07541      41.27394 
1 1 1 -25 19 19 o 167.8826 14.89454 858.9388       145.1301 671.6124       178.6011 1223.072       249.0087 145.2582 21.62309 196.5211 21.98112 -51.26285      30.83388 
1 1 1 -25 19 20 o 222.0315 11.98731 1482.494       155.5154 1494.551       197.1102 1462.613       253.1081 221.2316 15.28585 215.6767 20.24701 5.554947       25.36925 
1 1 1 -25 19 21 o 48.06504 21.36252 -25.50600      120.7170 -13.87630      145.1285 -51.62051      217.4751 53.68830 23.66294 62.10280 28.05069 -8.414501      36.69844 
1 1 1 -25 19 22 o 116.3143 18.64955 430.4254       122.9214 432.8624       147.7416 424.9440       221.5709 114.5733 22.78944 108.3921 32.37992 6.181190       39.59568 
1 1 1 -25 19 23 o 96.94572 22.55136 313.2448       125.7935 291.6033       152.9091 358.5602       221.2646 91.93965 26.75221 99.49656 32.74689 -7.556908      42.28521 
1 1 1 -25 19 24 o 65.48136 23.99985 125.4172       120.5177 20.64275       144.8298 361.3123       217.3150 56.19208 24.21394 99.36806 32.43910 -43.17598      40.47975 
1 1 1 -25 19 25 o 141.6842 15.80738 627.2533       129.1157 668.6047       158.4653 545.5790       222.7058 144.3154 19.19863 121.9037 31.06501 22.41173       36.51879 
1 1 1 -25 19 26 o 117.5149 19.53159 449.9265       129.8878 599.0771       165.3369 209.4880       209.9227 134.4801 21.70202 80.69908 31.20631 53.78101       38.01068 
1 1 1 -25 19 27 o 48.18482 21.48369 -18.44245      123.0850 -75.97562      155.4854 78.12766       201.4429 49.50286 22.86654 67.23803 28.75779 -17.73517      36.74084 
1 1 1 -25 19 28 o 180.7063 18.41632 1052.989       192.4512 301.1608       476.9507 1199.204       210.3342 93.78955 42.01976 192.5020 18.87276 -98.71242      46.06345 
1 1 1 -25 19 29 o 110.2977 19.38807 402.9370       120.8400 428.5315       499.2099 401.3440       124.5439 98.38224 43.59937 109.6113 20.11491 -11.22907      48.01578 
1 1 1 -25 19 30 o 70.50645 24.42441 169.8637       123.1178 137.4389       488.0774 172.0671       127.2322 84.95798 39.67364 70.93879 24.81347 14.01919       46.79430 
1 1 1 -25 19 31 o 139.2619 17.40766 630.8959       139.0783 832.1830       455.6316 610.2143       146.0486 118.7890 45.96420 135.8350 18.83958 -17.04596      49.67532 
1 1 1 -25 19 32 o 113.1659 20.34756 436.4045       130.0807 801.7025       452.6614 403.5226       135.8091 114.6939 45.38811 107.2174 22.32450 7.476486       50.58126 
1 1 1 -25 19 33 o 53.51057 23.10394 35.84095       132.3632 99.37384       454.7059 29.95894       138.3548 79.25582 37.41159 53.76297 23.41411 25.49285       44.13443 
1 1 1 -25 19 34 f 75.02532 25.83552 209.5198       137.6760 -314.9012      393.0809 282.8481       146.9866 62.97881 30.92010 85.68375 26.53299 -22.70494      40.74374 
1 1 1 -25 19 35 o 190.8787 13.24041 1145.432       147.3022 892.2827       395.3091 1186.249       158.7339 122.5215 43.65849 193.4117 14.09047 -70.89023      45.87598 
1 1 1 -25 19 36 o 45.92785 21.53115 -79.95313      146.1055 -553.5251      420.9013 -15.07164      155.7929 58.89055 29.43280 51.75347 23.52134 7.137085       37.67683 
1 1 1 -25 20 1  o 253.6176 12.73340 1914.389       188.7917 1938.366       225.8468 1858.769       343.9835 254.4119 15.20591 245.2412 24.23267 9.170639       28.60843 
1 1 1 -25 20 2  o 191.4169 14.44671 1097.706       160.9838 1086.500       183.0962 1135.876       337.9201 189.7872 16.61732 187.5563 31.85930 2.230896       35.93258 
1 1 1 -25 20 3  o 238.9612 12.54778 1699.540       175.2348 1498.157       204.5426 2255.125       339.7408 223.3663 15.71433 271.6972 21.49627 -48.33087      26.62761 
1 1 1 -25 20 4  o 394.7127 17.58215 4688.478       405.9872 0.000000       0.000000 4688.478       405.9872 ?        ?        394.7127 17.58215 0.000000       17.58215 
1 1 1 -25 20 5  o 130.2377 19.01700 521.4222       140.9712 364.6298       156.5440 1193.950       324.2120 106.7939 25.37182 193.4377 29.51135 -86.64378      38.91849 
1 1 1 -25 20 6  f 149.8519 15.81959 678.7617       136.9340 640.5631       150.9279 856.5674       325.6259 144.8405 18.16613 160.3049 35.56591 -15.46436      39.93672 
1 1 1 -25 20 7  o 192.3554 14.39690 1109.316       161.2360 1216.499       190.7402 840.9960       301.7905 200.8677 16.33209 159.8215 33.28017 41.04620       37.07164 
1 1 1 -25 20 8  o 383.6810 12.09353 4373.934       271.7885 4549.719       371.6536 4171.854       398.4813 389.2530 16.31624 371.5611 18.34306 17.69196       24.54970 
1 1 1 -25 20 9  o 199.6329 14.81626 1196.871       172.2321 1209.307       199.3858 1160.313       341.8580 199.8729 17.17582 188.8138 32.01426 11.05913       36.33073 
1 1 1 -25 20 10 o 132.1891 20.72540 543.1316       155.3976 653.6986       175.5878 143.5886       333.7823 145.0702 21.26941 91.70858 37.97845 53.36158       43.52873 
1 1 1 -25 20 11 o 184.9778 16.35764 1035.600       175.6290 1017.484       207.5737 1081.249       329.4995 182.0611 19.75671 181.5504 32.12121 0.5106354      37.71074 
1 1 1 -25 20 12 o 253.3400 36.52268 2150.474       526.9927 0.000000       0.000000 2150.474       526.9927 ?        ?        253.3400 36.52268 0.000000       36.52268 
1 1 1 -25 20 13 o 116.0522 22.19886 426.6446       145.5860 443.1159       166.7227 373.7579       298.7475 117.3043 24.99930 107.8016 37.99776 9.502716       45.48400 
1 1 1 -25 20 14 o 52.95077 23.39616 -28.70825      142.7164 -99.72089      166.3794 169.0435       277.6464 52.05795 23.90397 87.57146 35.24708 -35.51352      42.58822 
1 1 1 -25 20 15 o 115.7810 21.03831 423.8676       137.5956 551.4042       158.1996 27.67808       278.8298 132.4143 21.07716 76.84621 33.35528 55.56812       39.45657 
1 1 1 -25 20 16 o 77.60197 25.56971 187.4618       134.8896 200.8121       157.3232 150.4064       262.1033 80.75267 27.62386 83.76201 34.05334 -3.009338      43.84869 
1 1 1 -25 20 17 o 209.5455 13.72213 1325.944       167.7081 1365.328       190.6638 1191.294       352.5414 211.8358 15.45311 186.0410 33.54487 25.79480       36.93314 
1 1 1 -25 20 18 o 98.22130 24.43689 318.9757       140.1937 404.7702       156.2107 -36.20612      317.8385 110.7398 24.68305 75.75974 34.09252 34.98003       42.08982 
1 1 1 -25 20 19 o 34.59955 16.84001 -180.6069      109.3709 -263.2671      124.2421 104.0090       230.5420 34.14074 16.87951 75.36591 31.41629 -41.22517      35.66372 
1 1 1 -25 20 20 o 40.34281 19.10788 -124.8682      120.5140 -197.6938      143.4684 49.68071       222.1124 41.08612 19.82680 69.70640 30.01138 -28.62028      35.96922 
1 1 1 -25 20 21 o 60.77798 23.07171 95.76017       113.3277 209.6975       132.0612 -222.5589      220.7363 79.57558 25.22439 53.15791 25.37057 26.41768       35.77619 
1 1 1 -25 20 22 o 113.5828 19.93844 417.0157       127.9746 502.8636       159.8596 263.8195       213.5492 123.2490 22.96050 88.32279 32.01130 34.92623       39.39426 
1 1 1 -25 20 23 f 69.71031 23.64117 154.8804       115.1915 182.4400       135.5348 83.18479       218.6051 74.91333 25.63936 70.88822 30.12663 4.025108       39.55996 
1 1 1 -25 20 24 o 51.33367 22.25154 8.626556       123.7473 -60.88191      155.5777 128.3442       204.1773 51.09278 23.33051 73.01621 29.91471 -21.92343      37.93682 
1 1 1 -25 20 25 o 113.7049 20.18613 424.3477       129.6812 249.6994       163.1628 723.9030       213.6866 84.34814 28.13353 144.5891 26.16232 -60.24096      38.41825 
1 1 1 -25 20 26 f 169.6989 13.94612 891.4365       137.5742 1020.492       179.0942 705.6603       214.8760 179.2144 17.25249 141.2869 26.91448 37.92749       31.96932 
1 1 1 -25 20 27 o 189.7359 12.00304 1100.354       132.8800 616.5797       510.2766 1135.546       137.6283 109.5012 46.25932 192.5966 12.24798 -83.09549      47.85329 
1 1 1 -25 20 28 o 229.0651 13.93343 1628.221       186.2982 0.000000       0.000000 1628.221       186.2982 ?        ?        229.0651 13.93343 0.000000       13.93343 
1 1 1 -25 20 29 o 112.9193 20.03933 426.8961       127.8493 -480.7918      480.5425 496.0398       132.6294 67.77529 33.45074 122.5767 19.06920 -54.80141      38.50436 
1 1 1 -25 20 30 o 119.6184 19.47449 477.8120       131.9246 -110.6055      445.9002 534.2595       138.1075 74.12395 35.55951 126.8307 19.16418 -52.70672      40.39486 
1 1 1 -25 20 31 o 102.3957 24.05441 377.8728       141.9827 1184.083       527.0864 314.7958       147.4324 133.3846 49.94774 91.67744 26.14486 41.70716       56.37668 
1 1 1 -25 20 32 o 62.17966 24.37074 115.2207       129.3995 89.77914       492.3368 117.1086       134.1146 80.38278 38.23059 62.77806 24.74844 17.60472       45.54189 
1 1 1 -25 20 33 o 57.54609 23.97853 74.60811       134.2250 372.4650       443.3210 44.54773       140.8353 88.82005 40.09037 55.25717 23.84483 33.56287       46.64561 
1 1 1 -25 20 34 o 47.17580 21.72130 -46.00240      138.6882 384.7387       408.2419 -102.2001      147.4581 88.20033 39.23782 44.95345 21.24528 43.24687       44.62027 
1 1 1 -25 20 35 o 131.8281 20.40375 599.8859       152.6583 452.0515       444.2553 619.6793       162.5570 90.42125 40.52902 132.8554 21.60456 -42.43416      45.92775 
1 1 1 -25 21 1  o 179.5164 15.26672 969.6059       159.2080 965.0618       178.0023 987.7800       355.9810 178.4830 17.21855 171.8321 36.45475 6.650940       40.31659 
1 1 1 -25 21 2  o 336.0609 12.06233 3355.703       237.3530 3147.556       293.8612 3746.346       402.5746 324.0717 15.50645 351.3959 19.61217 -27.32413      25.00175 
1 1 1 -25 21 3  o 344.0714 12.01540 3517.360       242.0864 3530.085       312.2599 3498.188       383.2743 343.1900 15.55469 339.6528 19.32052 3.537201       24.80385 
1 1 1 -25 21 4  o 229.0556 12.87127 1564.679       172.2115 1469.561       201.5369 1822.053       331.5164 221.0773 15.64496 242.6658 23.59150 -21.58853      28.30766 
1 1 1 -25 21 5  o 285.7931 21.42579 2501.261       356.5053 0.000000       0.000000 2501.261       356.5053 ?        ?        285.7931 21.42579 0.000000       21.42579 
1 1 1 -25 21 6  o 386.9675 31.32668 4789.295       704.8771 0.000000       0.000000 4789.295       704.8771 ?        ?        386.9675 31.32668 0.000000       31.32668 
1 1 1 -25 21 7  o 232.1330 13.33535 1610.238       180.7842 1624.033       212.5246 1574.119       343.8721 232.3008 15.69148 223.3675 26.78329 8.933289       31.04137 
1 1 1 -25 21 8  o 125.1190 19.70866 485.5834       139.8414 553.2552       156.4563 216.7688       311.8285 133.3858 20.66828 95.18845 37.67079 38.19733       42.96820 
1 1 1 -25 21 9  o 195.6892 14.40089 1150.828       164.1171 1023.989       189.0699 1538.476       330.5331 183.3458 17.80734 220.8417 26.01896 -37.49588      31.52915 
1 1 1 -25 21 10 o 159.8448 18.93849 785.2081       174.0938 714.9077       191.9069 1112.024       413.7737 151.0983 22.32770 178.1671 40.51773 -27.06873      46.26243 
1 1 1 -25 21 11 o 185.5417 15.92411 1042.715       171.6053 1129.110       197.9037 780.8979       344.5150 192.4079 17.73754 149.2169 38.95579 43.19099       42.80390 
1 1 1 -25 21 12 o 196.6822 15.18534 1168.816       173.8066 1313.112       209.4691 849.9105       311.4043 207.6210 17.36157 158.0271 34.56457 49.59384       38.67989 
1 1 1 -25 21 13 f 281.5565 12.18071 2368.026       200.6598 2398.465       250.0391 2312.955       336.3197 281.9468 15.17728 273.2903 21.14791 8.656525       26.03045 
1 1 1 -25 21 14 o 127.6312 45.98222 598.9320       439.8054 0.000000       0.000000 598.9320       439.8054 ?        ?        127.6312 45.98222 0.000000       45.98222 
1 1 1 -25 21 15 o 60.69820 23.72098 80.37550       122.2952 106.3733       136.8328 -22.84041      272.6433 66.01039 25.28043 72.16843 32.08816 -6.158035      40.85034 
1 1 1 -25 21 16 f 85.92928 24.53752 242.1491       129.7788 95.19466       149.7105 686.4544       260.3165 65.99483 26.10684 140.6746 32.24367 -74.67980      41.48760 
1 1 1 -25 21 17 o 133.1400 17.01607 550.5296       129.8345 630.9466       149.6310 305.5039       261.1881 142.0243 18.39598 96.32732 35.32706 45.69701       39.82980 
1 1 1 -25 21 18 o 236.4892 12.98813 1690.760       179.4476 1628.247       208.4823 1869.479       352.5102 230.6016 15.50558 238.8944 25.55688 -8.292847      29.89276 
1 1 1 -25 21 19 o 142.9854 16.31918 634.6763       134.4013 583.4927       161.4306 750.3026       242.6323 134.5844 21.14899 147.5915 29.06565 -13.00708      35.94567 
1 1 1 -25 21 20 o 163.7406 13.81022 819.4799       131.3844 735.1105       158.1536 1007.382       236.0221 152.8969 17.98051 175.3688 23.54242 -22.47188      29.62338 
1 1 1 -25 21 21 o 65.43530 24.05234 123.6636       121.1845 244.1208       143.1926 -180.3699      227.4913 84.70084 26.18149 55.81805 26.38244 28.88279       37.16858 
1 1 1 -25 21 22 o 110.5039 18.85955 392.7659       117.8418 385.2959       139.1392 411.7195       221.6329 107.3692 22.80139 105.4563 32.56828 1.912964       39.75671 
1 1 1 -25 21 23 o 70.45860 23.93995 160.2402       118.1268 156.0276       142.8385 169.3553       210.1121 71.20411 26.12294 77.30724 30.81587 -6.103127      40.39834 
1 1 1 -25 21 24 o 55.17769 22.72944 53.51191       118.7020 8.543646       145.1897 144.1588       206.1385 54.65445 23.89045 74.07923 30.16883 -19.42479      38.48262 
1 1 1 -25 21 25 o 125.0620 16.54765 497.1693       118.3947 0.000000       0.000000 497.1693       118.3947 ?        ?        125.0620 16.54765 0.000000       16.54765 
1 1 1 -25 21 26 o 75.52579 23.33014 196.0377       113.7235 0.000000       0.000000 196.0377       113.7235 ?        ?        75.52579 23.33014 0.000000       23.33014 
1 1 1 -25 21 27 o 60.99900 24.04912 98.26208       126.6519 157.3945       494.0294 94.10233       131.0309 87.52894 40.54673 60.93734 24.32042 26.59160       47.28129 
1 1 1 -25 21 28 o 178.1637 13.26682 983.9315       137.6284 609.8152       507.9940 1013.567       142.9756 105.9478 45.49760 180.5946 13.59906 -74.64686      47.48648 
1 1 1 -25 21 29 f 78.93689 25.23641 225.1310       131.9565 -381.9553      474.3767 276.0455       137.3786 68.85169 33.83629 86.88087 25.37922 -18.02917      42.29657 
1 1 1 -25 21 30 o 68.04967 25.90895 151.5097       143.1765 298.7652       535.1169 140.1550       148.5941 89.36192 41.66763 66.94645 26.15188 22.41547       49.19464 
1 1 1 -25 21 31 o 100.8467 24.01473 368.4265       139.9872 1065.003       532.3427 316.6797       145.0937 123.4046 49.09673 91.89296 25.84567 31.51169       55.48412 
1 1 1 -25 21 32 o 124.6664 21.06857 536.4624       148.5573 1839.585       510.4322 415.8654       155.2793 184.3997 47.05080 105.7920 25.35744 78.60774       53.44883 
1 1 1 -25 21 33 f 59.16459 24.57663 86.13122       140.3779 801.4651       494.2321 23.35795       146.4077 107.0434 45.38755 53.81379 23.74062 53.22961       51.22155 
1 1 1 -25 21 34 o 53.15980 23.10254 35.31901       134.1015 -375.9405      431.3173 79.32795       141.0943 63.43005 31.37675 58.35456 24.46902 5.075485       39.78987 
1 1 1 -25 21 35 o 67.53120 26.21110 159.1603       148.5094 -807.0737      434.7720 286.7888       158.0135 55.31127 27.93983 84.42142 27.66740 -29.11015      39.32072 
1 1 1 -25 22 1  o 193.7936 15.31698 1131.316       172.6710 1064.821       195.5404 1366.752       367.9427 187.0136 18.05255 205.0329 31.61383 -18.01933      36.40507 
1 1 1 -25 22 2  o 336.9014 20.71542 3470.324       407.3258 0.000000       0.000000 3470.324       407.3258 ?        ?        336.9014 20.71542 0.000000       20.71542 
1 1 1 -25 22 3  o 311.2491 13.82162 2896.197       251.6709 2619.651       268.2878 4923.479       726.3976 295.2334 15.54959 390.7999 31.97269 -95.56647      35.55338 
1 1 1 -25 22 4  o 173.9196 15.38334 913.1307       155.2933 794.5179       176.6233 1317.164       325.9800 160.8826 19.09100 203.0883 28.12261 -42.20575      33.99040 
1 1 1 -25 22 5  o 285.8324 22.71680 2526.361       377.6803 0.000000       0.000000 2526.361       377.6803 ?        ?        285.8324 22.71680 0.000000       22.71680 
1 1 1 -25 22 6  o 163.5808 16.81363 813.8573       159.0097 776.4554       180.9440 940.6796       333.1926 158.6212 19.88647 167.0108 35.13245 -8.389648      40.37030 
1 1 1 -25 22 7  o 138.4991 17.86911 588.8614       141.7654 627.0016       157.7812 429.0852       322.9384 142.4364 19.39094 114.0295 39.55407 28.40689       44.05148 
1 1 1 -25 22 8  o 167.5661 36.34548 960.5027       346.8809 0.000000       0.000000 960.5027       346.8809 ?        ?        167.5661 36.34548 0.000000       36.34548 
1 1 1 -25 22 9  o 120.4219 21.99975 458.8210       149.6488 415.3583       169.4406 612.9431       319.0742 112.9874 26.09645 132.2063 38.69442 -19.21884      46.67208 
1 1 1 -25 22 10 f 146.5898 18.77672 663.7933       157.7244 777.8129       179.3348 274.3822       331.4201 158.4524 19.72393 99.87234 39.04404 58.58006       43.74323 
1 1 1 -25 22 11 o 173.7888 16.00047 918.9756       161.2522 926.9521       187.2941 896.1254       317.0027 173.4162 18.71139 161.7212 34.47696 11.69505       39.22725 
1 1 1 -25 22 12 o 267.1320 12.48083 2137.306       194.9925 2193.268       246.4813 2043.700       318.7813 268.9939 15.69209 256.0679 21.42309 12.92603       26.55542 
1 1 1 -25 22 13 o 83.94711 24.58016 228.8129       128.7317 287.3910       145.2812 14.74561       277.7263 93.38359 25.71382 75.10690 32.93073 18.27669       41.78078 
1 1 1 -25 22 14 o 88.01145 24.99311 254.7378       135.0134 303.0441       156.0801 111.1468       269.0974 95.33372 26.80383 80.51541 33.77882 14.81831       43.12139 
1 1 1 -25 22 15 o 257.7844 11.61422 1992.203       175.1379 1968.204       215.9672 2038.301       299.3199 254.6673 14.52003 255.2636 20.15733 -0.5962982     24.84249 
1 1 1 -25 22 16 o 185.7912 43.33028 1350.279       463.4253 0.000000       0.000000 1350.279       463.4253 ?        ?        185.7912 43.33028 0.000000       43.33028 
1 1 1 -25 22 17 o 79.64445 24.82745 208.5164       128.4596 178.9323       149.3523 292.6259       251.8288 75.94891 26.85796 93.74231 34.63506 -17.79340      43.82850 
1 1 1 -25 22 18 o 140.6230 15.23209 610.3494       123.6188 468.5572       143.8347 1011.106       241.8121 120.2382 21.17010 175.5334 24.12677 -55.29521      32.09788 
1 1 1 -25 22 19 o 126.5376 17.97976 506.4486       129.6789 378.5280       155.0395 804.3709       236.6049 105.4488 25.37795 153.6234 27.25954 -48.17467      37.24410 
1 1 1 -25 22 20 o 43.81025 20.17856 -70.18648      119.8312 -157.0842      143.9512 125.9353       216.2590 43.07837 20.53998 74.46954 30.67819 -31.39117      36.91940 
1 1 1 -25 22 21 o 89.97464 22.31535 271.4323       117.1766 262.6661       137.6197 294.5397       223.4353 87.46912 25.35858 91.36792 32.79235 -3.898804      41.45354 
1 1 1 -25 22 22 o 119.9973 17.68891 459.1422       120.7573 459.3957       145.5026 458.5811       216.4636 117.6511 21.89296 110.9342 31.69385 6.716843       38.52015 
1 1 1 -25 22 23 o 128.4887 28.44592 591.8952       208.6896 0.000000       0.000000 591.8952       208.6896 ?        ?        128.4887 28.44592 0.000000       28.44592 
1 1 1 -25 22 24 o 153.3006 13.59306 726.5160       120.9458 0.000000       0.000000 726.5160       120.9458 ?        ?        153.3006 13.59306 0.000000       13.59306 
1 1 1 -25 22 25 o 40.35109 19.20473 -127.0672      124.6796 0.000000       0.000000 -127.0672      124.6796 ?        ?        40.35109 19.20473 0.000000       19.20473 
1 1 1 -25 22 26 o 63.01085 24.13225 114.9207       124.6878 0.000000       0.000000 114.9207       124.6878 ?        ?        63.01085 24.13225 0.000000       24.13225 
1 1 1 -25 22 27 o 74.22786 25.72752 191.6781       136.6138 0.000000       0.000000 191.6781       136.6138 ?        ?        74.22786 25.72752 0.000000       25.72752 
1 1 1 -25 22 28 o 48.20129 21.64109 -19.12136      127.2476 537.2697       473.7128 -62.39006      132.1028 101.0590 43.67101 45.65975 21.08628 55.39924       48.49524 
1 1 1 -25 22 29 o 55.48462 23.62135 48.70936       134.7961 779.1253       524.1270 -3.024046      139.4880 110.1487 46.72367 51.35259 22.88491 58.79613       52.02711 
1 1 1 -25 22 30 o 115.6817 22.72313 471.3423       148.6615 326.4043       525.7331 483.9385       154.9869 89.15274 41.47954 116.6012 23.47738 -27.44841      47.66277 
1 1 1 -25 22 31 o 203.8601 17.15318 1353.336       203.1813 2475.892       582.1240 1197.609       216.8170 217.5156 47.00631 188.5471 19.90775 28.96855       51.04813 
1 1 1 -25 22 32 o 114.0123 21.32618 454.4331       137.3578 1443.047       513.5989 378.2751       142.5504 147.7091 49.92070 101.2517 24.31300 46.45733       55.52655 
1 1 1 -25 22 33 o 99.88817 24.31333 370.3909       141.0701 1505.482       450.6733 247.0914       148.5345 165.7365 45.14964 79.79391 26.84601 85.94257       52.52807 
1 1 1 -25 22 34 o 34.04681 16.98951 -303.2209      137.8413 -318.3599      425.9196 -301.4497      145.6815 64.00136 31.57002 35.50917 17.67861 28.49219       36.18286 
1 1 1 -25 23 1  o 55.81770 23.27957 30.30190       126.6825 29.51744       136.2308 35.31689       344.4477 57.43364 24.06061 84.92897 36.96605 -27.49533      44.10671 
1 1 1 -25 23 2  o 258.0580 24.97851 2092.799       373.3160 0.000000       0.000000 2092.799       373.3160 ?        ?        258.0580 24.97851 0.000000       24.97851 
1 1 1 -25 23 3  o 312.5023 12.26243 2912.431       224.3037 2803.159       277.5902 3117.998       380.7377 305.0176 15.56926 318.6773 20.47998 -13.65967      25.72608 
1 1 1 -25 23 4  o 137.5805 19.83566 588.0745       155.4319 609.0128       175.6322 512.4343       333.8174 139.0788 22.28462 121.7923 40.22870 17.28656       45.98862 
1 1 1 -25 23 5  o 450.1821 17.96251 6155.728       473.2963 0.000000       0.000000 6155.728       473.2963 ?        ?        450.1821 17.96251 0.000000       17.96251 
1 1 1 -25 23 6  o 205.5318 15.64503 1278.515       187.1676 1173.732       195.8526 2381.981       635.5701 196.2491 17.18993 258.0171 43.55011 -61.76804      46.81993 
1 1 1 -25 23 7  o 76.53767 25.40846 179.3298       133.1184 259.7471       147.5091 -173.5384      308.9943 89.56482 26.33553 69.36370 32.10914 20.20112       41.52779 
1 1 1 -25 23 8  o 55.68153 23.39970 26.65275       129.4733 81.26283       142.8982 -223.7044      305.9641 64.01170 25.44700 66.55421 31.18712 -2.542519      40.25154 
1 1 1 -25 23 9  o 178.2373 14.94259 963.2065       154.7613 1028.075       177.8503 760.8977       314.0840 183.4401 16.71481 146.8730 36.59722 36.56711       40.23359 
1 1 1 -25 23 10 o 278.9039 12.09338 2328.180       197.3419 2316.964       238.2672 2352.682       352.1593 276.8846 14.72583 274.0204 22.10053 2.864105       26.55717 
1 1 1 -25 23 11 o 198.4192 14.28326 1192.165       165.0994 1218.301       196.0982 1128.537       305.9666 199.3355 16.93420 184.2014 29.30298 15.13412       33.84423 
1 1 1 -25 23 12 o 79.39144 25.56841 201.6486       135.2733 173.9202       155.0043 290.2391       277.0610 76.41232 27.32611 96.14623 36.16871 -19.73391      45.33092 
1 1 1 -25 23 13 o 227.3545 12.89926 1558.667       171.2906 1780.487       212.2733 1144.641       290.0077 241.8674 15.03909 185.9335 27.41687 55.93385       31.27073 
1 1 1 -25 23 14 o 170.5371 15.21489 890.7805       150.5767 1024.530       176.9055 539.0670       286.8728 182.1838 16.74412 120.6098 37.01804 61.57395       40.62881 
1 1 1 -25 23 15 o 118.2872 40.70671 540.4180       341.7691 0.000000       0.000000 540.4180       341.7691 ?        ?        118.2872 40.70671 0.000000       40.70671 
1 1 1 -25 23 16 o 117.3263 20.29251 442.8129       134.5797 439.7604       147.3305 458.1934       330.7100 115.7974 22.50515 110.1035 39.84585 5.693901       45.76214 
1 1 1 -25 23 17 o 73.98245 24.44967 176.5925       123.3006 120.1601       146.0305 316.7361       230.1261 67.59324 26.05708 95.05212 33.36205 -27.45889      42.33200 
1 1 1 -25 23 18 o 175.0379 24.96303 1020.454       249.0071 0.000000       0.000000 1020.454       249.0071 ?        ?        175.0379 24.96303 0.000000       24.96303 
1 1 1 -25 23 19 o 92.61375 22.79555 287.8928       122.9672 383.5209       146.2135 56.81049       227.2887 106.5642 23.97672 69.84388 30.21600 36.72034       38.57317 
1 1 1 -25 23 20 o 89.58427 23.12638 271.5236       122.3319 283.2502       145.8068 243.6441       224.8204 90.36960 26.07283 85.77843 32.51124 4.591171       41.67461 
1 1 1 -25 23 21 o 227.5241 18.30524 1641.582       242.2007 0.000000       0.000000 1641.582       242.2007 ?        ?        227.5241 18.30524 0.000000       18.30524 
1 1 1 -25 23 22 o 48.59568 20.77096 17.64602       104.9651 0.000000       0.000000 17.64602       104.9651 ?        ?        48.59568 20.77096 0.000000       20.77096 
1 1 1 -25 23 23 o 99.79079 20.42865 332.1732       115.5295 0.000000       0.000000 332.1732       115.5295 ?        ?        99.79079 20.42865 0.000000       20.42865 
1 1 1 -25 23 24 o 142.9105 15.86300 645.3883       130.7166 0.000000       0.000000 645.3883       130.7166 ?        ?        142.9105 15.86300 0.000000       15.86300 
1 1 1 -25 23 25 o 45.33277 20.91093 -64.62524      129.3708 0.000000       0.000000 -64.62524      129.3708 ?        ?        45.33277 20.91093 0.000000       20.91093 
1 1 1 -25 23 26 o 104.8493 23.35714 384.7530       139.9461 0.000000       0.000000 384.7530       139.9461 ?        ?        104.8493 23.35714 0.000000       23.35714 
1 1 1 -25 23 27 o 48.57376 22.03044 -32.45755      135.8013 0.000000       0.000000 -32.45755      135.8013 ?        ?        48.57376 22.03044 0.000000       22.03044 
1 1 1 -25 23 28 o 128.1649 19.64417 550.3304       142.9568 0.000000       0.000000 550.3304       142.9568 ?        ?        128.1649 19.64417 0.000000       19.64417 
1 1 1 -25 23 29 o 67.77251 26.30987 148.6815       149.6531 0.000000       0.000000 148.6815       149.6531 ?        ?        67.77251 26.30987 0.000000       26.30987 
1 1 1 -25 23 30 o 95.60892 25.53683 341.9018       145.8988 225.5337       537.7429 351.1486       151.5847 85.27681 40.38219 96.40546 26.15257 -11.12865      48.11110 
1 1 1 -25 23 31 o 112.5634 23.11644 454.8948       147.4926 -434.8904      500.2023 539.6250       154.3555 66.72456 33.14240 123.8480 22.06006 -57.12341      39.81287 
1 1 1 -25 23 32 o 134.4759 19.80907 617.4867       151.5531 1946.371       534.4750 501.2976       158.0397 181.9669 48.99883 117.4046 23.76891 64.56230       54.45958 
1 1 1 -25 23 33 o 65.23375 25.77359 139.0486       145.7463 905.6893       500.1965 67.92104       152.3574 110.5044 46.18539 58.23682 24.96111 52.26758       52.49903 
1 1 1 -25 24 1  o 116.9418 40.03249 476.4425       330.4206 0.000000       0.000000 476.4425       330.4206 ?        ?        116.9418 40.03249 0.000000       40.03249 
1 1 1 -25 24 2  o 92.15281 23.86818 275.6186       130.0154 295.5089       141.8052 170.7028       325.6808 95.13605 25.06837 90.93141 37.57228 4.204636       45.16746 
1 1 1 -25 24 3  o 160.0889 15.91023 781.3601       147.4037 863.0993       164.7290 452.9437       330.1926 167.9022 16.96104 114.5545 39.98013 53.34776       43.42911 
1 1 1 -25 24 4  o 222.7320 13.08057 1490.082       170.1154 1262.428       195.5987 2196.995       344.6760 203.4967 16.53148 264.9061 22.39508 -61.40942      27.83576 
1 1 1 -25 24 5  o 62.71990 24.62858 84.03524       132.3630 74.27430       146.2729 128.1582       310.9928 63.51121 25.57625 86.36366 36.27790 -22.85244      44.38728 
1 1 1 -25 24 6  f 87.63046 25.24289 250.5164       136.7726 117.9116       151.2600 844.9799       320.2632 69.22980 26.56302 154.9167 35.94590 -85.68688      44.69566 
1 1 1 -25 24 7  o 120.5626 20.56198 460.5188       140.1768 498.8294       156.8997 308.9915       312.0385 124.8466 22.24438 100.0438 38.21043 24.80281       44.21367 
1 1 1 -25 24 8  o 231.3476 12.80348 1609.386       173.0399 1594.371       206.9261 1644.304       315.5573 228.9504 15.50214 226.9621 24.07356 1.988312       28.63307 
1 1 1 -25 24 9  o 118.8950 19.76606 447.1625       132.9897 351.8356       147.4918 861.6530       307.5513 103.2737 24.68738 156.5182 34.44083 -53.24458      42.37496 
1 1 1 -25 24 10 o 62.37214 23.87693 95.15389       122.0269 104.3090       133.3186 47.87275       302.9723 64.98901 24.93742 79.07692 34.53964 -14.08791      42.60119 
1 1 1 -25 24 11 o 44.72383 20.43927 -63.84261      119.7312 -70.07239      131.3066 -33.10905      291.6465 46.67588 21.35899 72.79501 32.71643 -26.11913      39.07136 
1 1 1 -25 24 12 o 233.5798 12.15982 1642.683       166.0026 1619.407       195.7493 1702.289       313.2495 230.6294 14.54631 229.8396 23.57254 0.7898560      27.69946 
1 1 1 -25 24 13 o 197.8574 13.80585 1190.439       159.1961 1305.389       187.9385 898.4575       299.5284 206.1981 15.65812 158.8546 33.22058 47.34352       36.72580 
1 1 1 -25 24 14 o 142.4640 17.28019 634.2128       141.4308 674.5931       161.2655 499.6813       294.3531 145.9071 19.32016 114.8134 37.76924 31.09369       42.42386 
1 1 1 -25 24 15 o 72.12914 24.84966 163.4339       127.3742 217.7414       145.0732 -19.28768      266.1045 81.03184 26.50759 69.67173 31.28688 11.36011       41.00636 
1 1 1 -25 24 16 o 139.3947 15.76764 603.5814       126.6426 545.7928       144.2046 798.4335       264.7956 130.6429 19.40999 149.7876 31.15905 -19.14467      36.71014 
1 1 1 -25 24 17 o 161.7401 14.41607 804.5810       135.3144 652.7648       163.4117 1135.766       241.3565 142.4691 20.11657 186.6037 22.50815 -44.13461      30.18763 
1 1 1 -25 24 18 o 71.01449 24.26748 161.3132       121.4086 189.8297       146.3174 98.28266       217.5322 76.37392 26.61656 71.96113 30.29117 4.412788       40.32365 
1 1 1 -25 24 19 o 74.71451 30.65640 137.5461       214.8350 0.000000       0.000000 137.5461       214.8350 ?        ?        74.71451 30.65640 0.000000       30.65640 
1 1 1 -25 24 20 o 53.89459 25.42187 -152.4329      209.2680 0.000000       0.000000 -152.4329      209.2680 ?        ?        53.89459 25.42187 0.000000       25.42187 
1 1 1 -25 24 21 o 84.25586 22.54920 242.7461       113.6178 0.000000       0.000000 242.7461       113.6178 ?        ?        84.25586 22.54920 0.000000       22.54920 
1 1 1 -25 24 22 o 75.46799 23.88118 195.1848       118.4161 0.000000       0.000000 195.1848       118.4161 ?        ?        75.46799 23.88118 0.000000       23.88118 
1 1 1 -25 24 23 o 60.43634 23.55411 97.54627       120.3139 0.000000       0.000000 97.54627       120.3139 ?        ?        60.43634 23.55411 0.000000       23.55411 
1 1 1 -25 24 24 o 51.54951 22.24469 21.15338       122.5655 0.000000       0.000000 21.15338       122.5655 ?        ?        51.54951 22.24469 0.000000       22.24469 
1 1 1 -25 24 25 o 48.93332 21.66762 -4.685401      123.0464 0.000000       0.000000 -4.685401      123.0464 ?        ?        48.93332 21.66762 0.000000       21.66762 
1 1 1 -25 24 26 o 71.96696 25.42155 179.6424       133.7744 0.000000       0.000000 179.6424       133.7744 ?        ?        71.96696 25.42155 0.000000       25.42155 
1 1 1 -25 24 27 o 73.86126 26.05769 194.5266       140.5186 0.000000       0.000000 194.5266       140.5186 ?        ?        73.86126 26.05769 0.000000       26.05769 
1 1 1 -25 24 28 f 47.54563 22.04325 -65.98673      146.4699 0.000000       0.000000 -65.98673      146.4699 ?        ?        47.54563 22.04325 0.000000       22.04325 
1 1 1 -25 24 29 o 159.3305 17.00200 826.9497       156.4208 0.000000       0.000000 826.9497       156.4208 ?        ?        159.3305 17.00200 0.000000       17.00200 
1 1 1 -25 24 30 o 132.0401 21.05438 603.1541       157.5703 0.000000       0.000000 603.1541       157.5703 ?        ?        132.0401 21.05438 0.000000       21.05438 
1 1 1 -25 24 31 o 80.72334 28.07071 257.0536       162.6949 0.000000       0.000000 257.0536       162.6949 ?        ?        80.72334 28.07071 0.000000       28.07071 
1 1 1 -25 24 32 o 120.8139 22.58411 521.9197       154.1367 1266.507       502.3592 444.5378       161.9481 133.7882 49.00518 108.0631 25.89264 25.72511       55.42505 
1 1 1 -25 25 1  o 170.1952 14.96222 881.8986       147.8275 906.7808       166.8427 791.0242       318.8482 171.8004 16.77229 148.2897 36.82960 23.51077       40.46886 
1 1 1 -25 25 2  o 233.8112 12.32450 1641.308       168.4025 1601.273       193.7804 1764.832       340.3820 229.9397 14.44257 234.1855 25.17815 -4.245819      29.02632 
1 1 1 -25 25 3  o 309.2095 11.86055 2863.238       214.6853 2928.733       268.6223 2747.440       357.1815 310.9615 14.77163 296.7026 20.65558 14.25885       25.39398 
1 1 1 -25 25 4  o 222.3481 12.94905 1489.158       168.1273 1446.018       197.9523 1600.844       318.5086 217.8009 15.60041 223.0584 24.76421 -5.257462      29.26840 
1 1 1 -25 25 5  o 282.2388 20.56579 2490.585       338.0820 0.000000       0.000000 2490.585       338.0820 ?        ?        282.2388 20.56579 0.000000       20.56579 
1 1 1 -25 25 6  o 334.8420 18.41725 3463.349       360.2794 0.000000       0.000000 3463.349       360.2794 ?        ?        334.8420 18.41725 0.000000       18.41725 
1 1 1 -25 25 7  o 136.5393 19.76289 588.9904       153.6584 805.2144       178.9171 -18.74698      299.9561 160.1596 19.44589 74.61211 33.38322 85.54752       38.63395 
1 1 1 -25 25 8  o 140.5787 17.05338 613.6215       137.7267 733.1633       157.2179 219.1831       285.5825 153.4550 17.79885 89.46586 35.83766 63.98910       40.01421 
1 1 1 -25 25 9  f 82.56627 35.00496 123.8678       293.9221 0.000000       0.000000 123.8678       293.9221 ?        ?        82.56627 35.00496 0.000000       35.00496 
1 1 1 -25 25 10 o 198.7590 13.51390 1199.025       156.5912 1199.077       181.2393 1198.872       311.0126 197.5672 15.77270 187.9009 29.16797 9.666306       33.15944 
1 1 1 -25 25 11 o 124.0761 20.16020 492.8413       141.6699 487.9154       161.2729 509.4890       296.4816 121.7366 23.43903 116.0773 37.88958 5.659348       44.55343 
1 1 1 -25 25 12 o 131.0375 18.00551 540.8188       134.7184 617.0052       153.1629 280.4138       283.1648 139.4471 19.24030 93.28279 36.19683 46.16428       40.99268 
1 1 1 -25 25 13 o 73.27119 24.62342 171.6330       124.9600 215.5687       139.6687 -4.624029      279.7459 80.58131 25.98308 71.95641 32.21376 8.624893       41.38655 
1 1 1 -25 25 14 f 103.1349 22.04272 351.4802       129.2840 463.5461       146.7137 -37.89432      273.4749 118.9480 21.83557 69.13305 31.31834 49.81493       38.17893 
1 1 1 -25 25 15 o 102.6850 22.64294 351.3624       132.6886 433.9245       152.9777 100.5634       266.6250 113.8144 23.68976 76.92993 32.99773 36.88448       40.62086 
1 1 1 -25 25 16 o 159.4382 13.97069 780.6073       129.3167 802.9485       150.5939 717.8765       252.3448 160.4890 16.22217 140.9542 31.33711 19.53471       35.28701 
1 1 1 -25 25 17 o 85.31985 21.72604 243.6165       108.9874 0.000000       0.000000 243.6165       108.9874 ?        ?        85.31985 21.72604 0.000000       21.72604 
1 1 1 -25 25 18 o 117.0731 18.54013 441.2029       123.0618 0.000000       0.000000 441.2029       123.0618 ?        ?        117.0731 18.54013 0.000000       18.54013 
1 1 1 -25 25 19 o 115.7239 18.76073 433.8933       122.9718 0.000000       0.000000 433.8933       122.9718 ?        ?        115.7239 18.76073 0.000000       18.76073 
1 1 1 -25 25 20 o 49.44640 21.84416 -7.519612      124.3609 0.000000       0.000000 -7.519612      124.3609 ?        ?        49.44640 21.84416 0.000000       21.84416 
1 1 1 -25 25 21 o 76.96516 24.01816 204.4558       120.1867 0.000000       0.000000 204.4558       120.1867 ?        ?        76.96516 24.01816 0.000000       24.01816 
1 1 1 -25 25 22 o 54.89246 23.13716 44.88760       127.1848 0.000000       0.000000 44.88760       127.1848 ?        ?        54.89246 23.13716 0.000000       23.13716 
1 1 1 -25 25 23 o 64.92784 24.52273 127.9823       127.6495 0.000000       0.000000 127.9823       127.6495 ?        ?        64.92784 24.52273 0.000000       24.52273 
1 1 1 -25 25 24 o 77.52067 24.16914 212.8432       121.7325 0.000000       0.000000 212.8432       121.7325 ?        ?        77.52067 24.16914 0.000000       24.16914 
1 1 1 -25 25 25 o 88.01577 23.87516 277.7914       126.3384 0.000000       0.000000 277.7914       126.3384 ?        ?        88.01577 23.87516 0.000000       23.87516 
1 1 1 -25 25 26 o 176.7610 14.69700 987.2062       150.9811 0.000000       0.000000 987.2062       150.9811 ?        ?        176.7610 14.69700 0.000000       14.69700 
1 1 1 -25 25 27 o 41.98389 20.05666 -134.3932      138.6475 0.000000       0.000000 -134.3932      138.6475 ?        ?        41.98389 20.05666 0.000000       20.05666 
1 1 1 -25 25 28 o 82.32784 26.99273 258.5963       150.3943 0.000000       0.000000 258.5963       150.3943 ?        ?        82.32784 26.99273 0.000000       26.99273 
1 1 1 -25 25 29 o 96.22227 26.23052 353.8637       152.0529 0.000000       0.000000 353.8637       152.0529 ?        ?        96.22227 26.23052 0.000000       26.23052 
1 1 1 -25 25 30 o 126.8382 22.87596 574.3497       163.9095 0.000000       0.000000 574.3497       163.9095 ?        ?        126.8382 22.87596 0.000000       22.87596 
1 1 1 -25 25 31 o 114.7587 25.83797 498.1804       169.6967 0.000000       0.000000 498.1804       169.6967 ?        ?        114.7587 25.83797 0.000000       25.83797 
1 1 1 -25 26 1  o 83.28240 23.13560 227.8803       117.0331 230.5943       126.7819 212.2412       304.3406 83.62839 24.36711 90.02728 36.65960 -6.398895      44.01912 
1 1 1 -25 26 2  o 88.86819 22.51691 259.3982       117.4776 307.4514       126.9612 -26.68283      309.7805 96.72938 22.76198 74.92031 33.69101 21.80907       40.65946 
1 1 1 -25 26 3  o 108.3652 20.69909 378.0163       126.7546 302.9408       139.6365 729.5171       302.1433 95.28392 24.76395 140.8853 36.33221 -45.60139      43.96911 
1 1 1 -25 26 4  o 158.8707 15.52734 775.5641       142.8294 818.8779       162.9400 631.8690       296.7810 162.3713 17.38079 130.2463 37.07806 32.12503       40.94966 
1 1 1 -25 26 5  o 112.4684 20.23934 405.6322       128.5905 449.1256       144.2770 237.6115       283.5741 117.7853 21.68481 90.47057 35.88540 27.31470       41.92842 
1 1 1 -25 26 6  o 55.23531 23.17252 34.17393       126.6346 85.12376       141.4605 -171.3866      284.1408 63.24313 25.26006 64.48355 30.16422 -1.240417      39.34401 
1 1 1 -25 26 7  o 160.6886 15.79513 796.0307       146.9316 844.6240       169.4754 648.9574       294.8391 164.4785 17.85512 131.5903 36.78307 32.88812       40.88765 
1 1 1 -25 26 8  o 49.82534 21.79168 -7.035508      120.9478 -21.35564      133.8017 56.93726       282.8040 50.94289 22.57419 76.50974 33.39521 -25.56685      40.30923 
1 1 1 -25 26 9  f 139.3120 17.80007 609.3570       142.1146 668.7636       163.2990 423.9156       288.5158 144.9984 19.71310 106.9577 37.36900 38.04071       42.24984 
1 1 1 -25 26 10 o 96.93487 22.47867 311.3922       125.3036 353.3144       139.9157 141.5479       281.6244 102.8158 23.69076 81.76870 34.44535 21.04709       41.80591 
1 1 1 -25 26 11 f 102.8899 21.64538 348.1264       126.4686 199.4131       139.4373 1037.875       300.2960 78.01559 26.00745 171.7541 30.95031 -93.73853      40.42659 
1 1 1 -25 26 12 o 48.65173 21.44211 -13.08997      119.1528 -51.47256      131.7301 159.6059       279.4209 47.76555 21.67727 82.41528 34.48774 -34.64972      40.73460 
1 1 1 -25 26 13 f 116.0785 19.03868 432.1969       125.1208 392.6166       140.2800 586.2115       276.7178 108.6224 22.75053 123.5356 36.00050 -14.91315      42.58665 
1 1 1 -25 26 14 o 86.07581 34.28081 227.0012       259.7923 0.000000       0.000000 227.0012       259.7923 ?        ?        86.07581 34.28081 0.000000       34.28081 
1 1 1 -25 26 15 o 105.6423 18.05347 357.9144       107.8386 0.000000       0.000000 357.9144       107.8386 ?        ?        105.6423 18.05347 0.000000       18.05347 
1 1 1 -25 26 16 o 90.66433 22.90855 279.0145       121.8381 0.000000       0.000000 279.0145       121.8381 ?        ?        90.66433 22.90855 0.000000       22.90855 
1 1 1 -25 26 17 o 128.3357 17.75398 526.4488       130.0516 0.000000       0.000000 526.4488       130.0516 ?        ?        128.3357 17.75398 0.000000       17.75398 
1 1 1 -25 26 18 o 115.0551 18.65658 429.7061       121.5814 0.000000       0.000000 429.7061       121.5814 ?        ?        115.0551 18.65658 0.000000       18.65658 
1 1 1 -25 26 19 o 92.21788 21.63871 288.7074       115.0031 0.000000       0.000000 288.7074       115.0031 ?        ?        92.21788 21.63871 0.000000       21.63871 
1 1 1 -25 26 20 o 99.26181 22.37482 337.3994       127.1293 0.000000       0.000000 337.3994       127.1293 ?        ?        99.26181 22.37482 0.000000       22.37482 
1 1 1 -25 26 21 o 144.8953 15.85928 665.0091       132.5696 0.000000       0.000000 665.0091       132.5696 ?        ?        144.8953 15.85928 0.000000       15.85928 
1 1 1 -25 26 22 o 165.8851 14.37832 860.7727       138.5033 0.000000       0.000000 860.7727       138.5033 ?        ?        165.8851 14.37832 0.000000       14.37832 
1 1 1 -25 26 23 o 50.61910 22.44465 -2.472630      132.4732 0.000000       0.000000 -2.472630      132.4732 ?        ?        50.61910 22.44465 0.000000       22.44465 
1 1 1 -25 26 24 o 136.0742 18.15001 606.9459       141.2361 0.000000       0.000000 606.9459       141.2361 ?        ?        136.0742 18.15001 0.000000       18.15001 
1 1 1 -25 26 25 o 69.35799 31.85575 26.85632       295.7375 0.000000       0.000000 26.85632       295.7375 ?        ?        69.35799 31.85575 0.000000       31.85575 
1 1 1 -25 26 26 o 59.69006 24.73514 83.49342       141.7139 0.000000       0.000000 83.49342       141.7139 ?        ?        59.69006 24.73514 0.000000       24.73514 
1 1 1 -25 26 27 o 59.44329 24.76505 82.06574       143.1410 0.000000       0.000000 82.06574       143.1410 ?        ?        59.44329 24.76505 0.000000       24.76505 
1 1 1 -25 26 28 o 59.82281 25.45281 75.87340       156.3441 0.000000       0.000000 75.87340       156.3441 ?        ?        59.82281 25.45281 0.000000       25.45281 
1 1 1 -25 26 29 o 72.56126 29.03057 187.5657       187.1618 0.000000       0.000000 187.5657       187.1618 ?        ?        72.56126 29.03057 0.000000       29.03057 
1 1 1 -25 26 30 o 129.5786 23.41379 606.1259       171.3856 0.000000       0.000000 606.1259       171.3856 ?        ?        129.5786 23.41379 0.000000       23.41379 
1 1 1 -25 27 1  o 47.86964 21.27237 -24.87379      119.6534 -44.42769      129.7593 86.19350       309.2537 48.18525 21.72478 80.72051 35.08165 -32.53527      41.26364 
1 1 1 -25 27 2  o 90.50014 23.41795 272.7724       125.2364 310.5984       137.2512 84.65615       306.0791 96.25357 24.31091 80.31380 34.90304 15.93977       42.53519 
1 1 1 -25 27 3  o 184.4408 13.52942 1034.914       145.3297 1127.526       165.9794 730.6368       300.8538 191.8503 14.86762 139.7010 36.37027 52.14928       39.29176 
1 1 1 -25 27 4  o 140.1533 16.41823 610.7326       132.3973 586.3456       146.3472 720.6689       310.7243 136.1047 18.83869 137.5875 37.49302 -1.482803      41.95978 
1 1 1 -25 27 5  f 132.2821 17.62702 549.7830       133.3505 514.8199       150.0397 681.2379       290.9309 126.2426 21.00278 134.6687 36.10168 -8.426140      41.76659 
1 1 1 -25 27 6  o 240.6832 12.17332 1749.256       171.2746 1705.351       204.9951 1850.764       311.7021 235.9573 14.88949 239.5612 22.44713 -3.603882      26.93642 
1 1 1 -25 27 7  o 66.20982 24.26847 126.2638       123.2338 184.7014       135.9070 -143.9649      292.2546 75.72849 25.67912 66.06440 30.80073 9.664085       40.10115 
1 1 1 -25 27 8  o 55.86831 22.71780 56.36225       116.6781 6.594216       128.6913 286.2144       276.5657 52.39463 22.70163 92.88721 35.84576 -40.49259      42.42974 
1 1 1 -25 27 9  o 91.79242 23.40524 283.0860       126.3687 304.9411       139.1040 179.8565       302.3183 94.73322 24.76423 85.45103 35.82331 9.282196       43.54971 
1 1 1 -25 27 10 o 44.30328 19.95543 -37.27539      109.1840 -27.82707      119.1606 -86.71749      272.5862 47.24527 21.09665 66.24345 30.48305 -18.99818      37.07135 
1 1 1 -25 27 11 o 110.8740 36.30620 473.7705       272.1192 0.000000       0.000000 473.7705       272.1192 ?        ?        110.8740 36.30620 0.000000       36.30620 
1 1 1 -25 27 12 o 47.02288 20.19161 9.469683       100.0364 0.000000       0.000000 9.469683       100.0364 ?        ?        47.02288 20.19161 0.000000       20.19161 
1 1 1 -25 27 13 o 36.16226 17.36454 -137.0594      106.8977 0.000000       0.000000 -137.0594      106.8977 ?        ?        36.16226 17.36454 0.000000       17.36454 
1 1 1 -25 27 14 o 114.9638 18.40779 425.2228       119.9260 0.000000       0.000000 425.2228       119.9260 ?        ?        114.9638 18.40779 0.000000       18.40779 
1 1 1 -25 27 15 o 64.72996 23.45243 127.2849       114.6090 0.000000       0.000000 127.2849       114.6090 ?        ?        64.72996 23.45243 0.000000       23.45243 
1 1 1 -25 27 16 o 134.7842 16.55206 575.5902       128.0964 0.000000       0.000000 575.5902       128.0964 ?        ?        134.7842 16.55206 0.000000       16.55206 
1 1 1 -25 27 17 o 115.3978 20.29573 440.4301       132.3452 0.000000       0.000000 440.4301       132.3452 ?        ?        115.3978 20.29573 0.000000       20.29573 
1 1 1 -25 27 18 o 90.83103 23.75806 287.7138       127.9808 0.000000       0.000000 287.7138       127.9808 ?        ?        90.83103 23.75806 0.000000       23.75806 
1 1 1 -25 27 19 o 118.5798 19.38133 462.8366       130.1342 0.000000       0.000000 462.8366       130.1342 ?        ?        118.5798 19.38133 0.000000       19.38133 
1 1 1 -25 27 20 o 108.2240 21.38180 397.2226       130.8971 0.000000       0.000000 397.2226       130.8971 ?        ?        108.2240 21.38180 0.000000       21.38180 
1 1 1 -25 27 21 o 77.05932 25.90948 211.2011       138.3530 0.000000       0.000000 211.2011       138.3530 ?        ?        77.05932 25.90948 0.000000       25.90948 
1 1 1 -25 27 22 o 92.24497 24.85119 308.2733       137.4429 0.000000       0.000000 308.2733       137.4429 ?        ?        92.24497 24.85119 0.000000       24.85119 
1 1 1 -25 27 23 o 46.22980 21.36108 -62.10622      135.8350 0.000000       0.000000 -62.10622      135.8350 ?        ?        46.22980 21.36108 0.000000       21.36108 
1 1 1 -25 27 24 o 61.47104 24.79288 101.6992       137.6813 0.000000       0.000000 101.6992       137.6813 ?        ?        61.47104 24.79288 0.000000       24.79288 
1 1 1 -25 27 25 o 65.98275 25.80019 136.6061       144.7384 0.000000       0.000000 136.6061       144.7384 ?        ?        65.98275 25.80019 0.000000       25.80019 
1 1 1 -25 27 26 o 59.44863 25.32058 70.59222       155.0115 0.000000       0.000000 70.59222       155.0115 ?        ?        59.44863 25.32058 0.000000       25.32058 
1 1 1 -25 27 27 o 74.42768 32.01104 179.0427       252.1995 0.000000       0.000000 179.0427       252.1995 ?        ?        74.42768 32.01104 0.000000       32.01104 
1 1 1 -25 27 28 o 46.41082 22.01723 -115.5605      161.2508 0.000000       0.000000 -115.5605      161.2508 ?        ?        46.41082 22.01723 0.000000       22.01723 
1 1 1 -25 27 29 o 73.47226 28.24400 202.1531       171.2319 0.000000       0.000000 202.1531       171.2319 ?        ?        73.47226 28.24400 0.000000       28.24400 
1 1 1 -25 28 1  o 85.51543 23.24675 244.4960       119.6235 166.5277       129.5783 694.2418       311.2125 72.64141 25.06215 133.7783 37.93064 -61.13692      45.46256 
1 1 1 -25 28 2  o 122.0801 18.72659 474.5085       129.8043 436.1955       143.2357 650.5347       307.0199 115.3005 21.98430 129.2750 37.98929 -13.97453      43.89186 
1 1 1 -25 28 3  o 202.4798 12.88939 1244.963       152.2664 1120.840       174.9607 1632.480       309.1439 190.4411 15.80732 223.0942 24.00501 -32.65305      28.74216 
1 1 1 -25 28 4  o 83.21324 23.48144 231.9027       119.5591 135.0163       130.4034 742.8192       299.4557 67.97829 24.95657 139.8385 36.22545 -71.86024      43.98993 
1 1 1 -25 28 5  o 42.53398 19.60098 -69.00432      113.2790 -42.25417      124.1743 -201.6841      276.5484 47.02079 21.22116 61.39675 29.03987 -14.37595      35.96737 
1 1 1 -25 28 6  o 183.3266 13.08674 1023.665       139.7790 860.3257       159.5693 1562.360       289.7854 166.1077 16.60201 218.8646 22.91547 -52.75691      28.29745 
1 1 1 -25 28 7  o 60.16741 23.77509 83.48481       124.0352 52.33232       139.7936 198.7631       268.9149 58.69629 24.46537 84.42663 34.42956 -25.73034      42.23682 
1 1 1 -25 28 8  o 67.78781 30.65658 -28.71702      260.7099 0.000000       0.000000 -28.71702      260.7099 ?        ?        67.78781 30.65658 0.000000       30.65658 
1 1 1 -25 28 9  o 45.91166 19.70282 8.728473       95.14654 0.000000       0.000000 8.728473       95.14654 ?        ?        45.91166 19.70282 0.000000       19.70282 
1 1 1 -25 28 10 f 71.78895 23.40571 168.9893       113.1527 0.000000       0.000000 168.9893       113.1527 ?        ?        71.78895 23.40571 0.000000       23.40571 
1 1 1 -25 28 11 o 65.30907 23.39049 130.0395       113.6155 0.000000       0.000000 130.0395       113.6155 ?        ?        65.30907 23.39049 0.000000       23.39049 
1 1 1 -25 28 12 o 51.38052 21.85445 25.04175       115.2042 0.000000       0.000000 25.04175       115.2042 ?        ?        51.38052 21.85445 0.000000       21.85445 
1 1 1 -25 28 13 f 96.38940 21.42800 312.0850       117.9952 0.000000       0.000000 312.0850       117.9952 ?        ?        96.38940 21.42800 0.000000       21.42800 
1 1 1 -25 28 14 o 47.62246 21.08872 -12.15109      116.5804 0.000000       0.000000 -12.15109      116.5804 ?        ?        47.62246 21.08872 0.000000       21.08872 
1 1 1 -25 28 15 o 154.6530 15.38365 749.7723       137.6821 0.000000       0.000000 749.7723       137.6821 ?        ?        154.6530 15.38365 0.000000       15.38365 
1 1 1 -25 28 16 o 59.17254 23.41132 87.02472       120.4071 0.000000       0.000000 87.02472       120.4071 ?        ?        59.17254 23.41132 0.000000       23.41132 
1 1 1 -25 28 17 f 104.5352 23.00284 376.9384       137.1906 0.000000       0.000000 376.9384       137.1906 ?        ?        104.5352 23.00284 0.000000       23.00284 
1 1 1 -25 28 18 o 107.3240 21.71301 391.9469       131.9690 0.000000       0.000000 391.9469       131.9690 ?        ?        107.3240 21.71301 0.000000       21.71301 
1 1 1 -25 28 19 o 125.3895 19.28003 519.2652       137.2478 0.000000       0.000000 519.2652       137.2478 ?        ?        125.3895 19.28003 0.000000       19.28003 
1 1 1 -25 28 20 o 215.0395 11.80351 1417.635       148.2898 0.000000       0.000000 1417.635       148.2898 ?        ?        215.0395 11.80351 0.000000       11.80351 
1 1 1 -25 28 21 o 45.17108 20.98347 -72.99868      133.7211 0.000000       0.000000 -72.99868      133.7211 ?        ?        45.17108 20.98347 0.000000       20.98347 
1 1 1 -25 28 22 o 70.68883 25.62190 172.7533       136.8119 0.000000       0.000000 172.7533       136.8119 ?        ?        70.68883 25.62190 0.000000       25.62190 
1 1 1 -25 28 23 o 52.75642 23.03767 22.27875       134.7154 0.000000       0.000000 22.27875       134.7154 ?        ?        52.75642 23.03767 0.000000       23.03767 
1 1 1 -25 28 24 o 88.70526 25.65246 294.6655       140.9902 0.000000       0.000000 294.6655       140.9902 ?        ?        88.70526 25.65246 0.000000       25.65246 
1 1 1 -25 28 25 o 60.46884 25.53774 81.63010       155.4392 0.000000       0.000000 81.63010       155.4392 ?        ?        60.46884 25.53774 0.000000       25.53774 
1 1 1 -25 28 26 o 96.90876 28.07365 372.1409       168.7257 0.000000       0.000000 372.1409       168.7257 ?        ?        96.90876 28.07365 0.000000       28.07365 
1 1 1 -25 28 27 o 87.66840 29.90074 317.2811       184.2996 0.000000       0.000000 317.2811       184.2996 ?        ?        87.66840 29.90074 0.000000       29.90074 
1 1 1 -25 28 28 o 78.61801 30.00133 248.5992       192.2581 0.000000       0.000000 248.5992       192.2581 ?        ?        78.61801 30.00133 0.000000       30.00133 
1 1 1 -25 29 1  o 53.35630 21.65696 52.09121       105.8103 31.78510       113.3084 190.4645       295.7841 52.12475 21.89673 85.04256 35.52768 -32.91782      41.73347 
1 1 1 -25 29 2  o 257.5727 17.35555 2075.751       260.6429 1743.007       477.6879 2216.810       311.0211 209.8459 40.27866 263.2243 20.30396 -53.37836      45.10678 
1 1 1 -25 29 3  o 98.93851 35.64893 364.1184       264.3551 0.000000       0.000000 364.1184       264.3551 ?        ?        98.93851 35.64893 0.000000       35.64893 
1 1 1 -25 29 4  o 89.60180 35.45254 263.5403       276.1328 0.000000       0.000000 263.5403       276.1328 ?        ?        89.60180 35.45254 0.000000       35.45254 
1 1 1 -25 29 5  o 123.3713 17.33195 482.5242       121.9509 0.000000       0.000000 482.5242       121.9509 ?        ?        123.3713 17.33195 0.000000       17.33195 
1 1 1 -25 29 6  o 126.2214 16.02500 499.9396       115.9562 0.000000       0.000000 499.9396       115.9562 ?        ?        126.2214 16.02500 0.000000       16.02500 
1 1 1 -25 29 7  o 146.7677 13.94458 664.2802       118.5888 0.000000       0.000000 664.2802       118.5888 ?        ?        146.7677 13.94458 0.000000       13.94458 
1 1 1 -25 29 8  o 83.25202 22.60262 234.9906       113.1713 0.000000       0.000000 234.9906       113.1713 ?        ?        83.25202 22.60262 0.000000       22.60262 
1 1 1 -25 29 9  o 47.33757 21.17851 -25.50519      120.7016 0.000000       0.000000 -25.50519      120.7016 ?        ?        47.33757 21.17851 0.000000       21.17851 
1 1 1 -25 29 10 o 117.5132 19.23006 449.3519       127.9514 0.000000       0.000000 449.3519       127.9514 ?        ?        117.5132 19.23006 0.000000       19.23006 
1 1 1 -25 29 11 o 64.40641 24.56370 117.9171       128.8333 0.000000       0.000000 117.9171       128.8333 ?        ?        64.40641 24.56370 0.000000       24.56370 
1 1 1 -25 29 12 o 171.2192 13.61977 904.7585       135.6380 0.000000       0.000000 904.7585       135.6380 ?        ?        171.2192 13.61977 0.000000       13.61977 
1 1 1 -25 29 13 o 53.94741 22.98169 32.87160       127.7381 0.000000       0.000000 32.87160       127.7381 ?        ?        53.94741 22.98169 0.000000       22.98169 
1 1 1 -25 29 14 f 50.56089 22.15873 3.482901       125.6248 0.000000       0.000000 3.482901       125.6248 ?        ?        50.56089 22.15873 0.000000       22.15873 
1 1 1 -25 29 15 o 126.5549 18.85948 523.0693       135.7095 0.000000       0.000000 523.0693       135.7095 ?        ?        126.5549 18.85948 0.000000       18.85948 
1 1 1 -25 29 16 o 48.05344 21.61056 -25.87146      127.4776 0.000000       0.000000 -25.87146      127.4776 ?        ?        48.05344 21.61056 0.000000       21.61056 
1 1 1 -25 29 17 o 113.0640 21.34657 433.8845       136.3606 0.000000       0.000000 433.8845       136.3606 ?        ?        113.0640 21.34657 0.000000       21.34657 
1 1 1 -25 29 18 o 215.3831 11.96826 1423.380       150.5852 0.000000       0.000000 1423.380       150.5852 ?        ?        215.3831 11.96826 0.000000       11.96826 
1 1 1 -25 29 19 o 102.4430 23.51784 371.2875       138.3042 0.000000       0.000000 371.2875       138.3042 ?        ?        102.4430 23.51784 0.000000       23.51784 
1 1 1 -25 29 20 o 60.07069 23.72663 99.45073       123.4816 0.000000       0.000000 99.45073       123.4816 ?        ?        60.07069 23.72663 0.000000       23.72663 
1 1 1 -25 29 21 o 42.17208 19.69533 -77.22916      120.3304 0.000000       0.000000 -77.22916      120.3304 ?        ?        42.17208 19.69533 0.000000       19.69533 
1 1 1 -25 29 22 o 41.92850 19.90721 -115.2912      132.3571 0.000000       0.000000 -115.2912      132.3571 ?        ?        41.92850 19.90721 0.000000       19.90721 
1 1 1 -25 29 23 o 45.47501 21.28097 -82.95940      141.6649 0.000000       0.000000 -82.95940      141.6649 ?        ?        45.47501 21.28097 0.000000       21.28097 
1 1 1 -25 29 24 o 83.27977 26.55164 266.2287       146.1477 0.000000       0.000000 266.2287       146.1477 ?        ?        83.27977 26.55164 0.000000       26.55164 
1 1 1 -25 29 25 o 62.96092 25.87088 110.6409       153.2802 0.000000       0.000000 110.6409       153.2802 ?        ?        62.96092 25.87088 0.000000       25.87088 
1 1 1 -25 29 26 o 70.42580 27.53289 174.3797       164.8093 0.000000       0.000000 174.3797       164.8093 ?        ?        70.42580 27.53289 0.000000       27.53289 
1 1 1 -25 29 27 o 53.40492 24.46379 -22.18110      172.8561 0.000000       0.000000 -22.18110      172.8561 ?        ?        53.40492 24.46379 0.000000       24.46379 
1 1 1 -25 30 1  o 93.19532 22.65700 294.7263       122.6166 231.2216       440.2350 300.0671       127.6685 92.66772 41.01119 93.71997 23.32133 -1.052254      47.17841 
1 1 1 -25 30 2  o 115.0764 19.97527 433.1836       129.9252 0.000000       0.000000 433.1836       129.9252 ?        ?        115.0764 19.97527 0.000000       19.97527 
1 1 1 -25 30 3  o 79.45624 23.62135 215.2626       118.1381 -94.42727      445.7415 238.6602       122.5197 79.25238 37.29630 83.38405 23.85130 -4.131668      44.27074 
1 1 1 -25 30 4  o 132.5166 16.79042 556.1423       127.5667 0.000000       0.000000 556.1423       127.5667 ?        ?        132.5166 16.79042 0.000000       16.79042 
1 1 1 -25 30 5  o 100.9704 20.99488 339.7414       120.2662 0.000000       0.000000 339.7414       120.2662 ?        ?        100.9704 20.99488 0.000000       20.99488 
1 1 1 -25 30 6  o 97.13028 22.26439 319.6586       124.1114 0.000000       0.000000 319.6586       124.1114 ?        ?        97.13028 22.26439 0.000000       22.26439 
1 1 1 -25 30 7  f 47.40653 21.38827 -35.29626      126.0182 0.000000       0.000000 -35.29626      126.0182 ?        ?        47.40653 21.38827 0.000000       21.38827 
1 1 1 -25 30 8  o 47.01997 21.19996 -33.91594      123.5752 0.000000       0.000000 -33.91594      123.5752 ?        ?        47.01997 21.19996 0.000000       21.19996 
1 1 1 -25 30 9  o 166.3671 13.35806 852.8560       129.2405 0.000000       0.000000 852.8560       129.2405 ?        ?        166.3671 13.35806 0.000000       13.35806 
1 1 1 -25 30 10 o 40.24355 18.94742 -99.13035      115.2771 0.000000       0.000000 -99.13035      115.2771 ?        ?        40.24355 18.94742 0.000000       18.94742 
1 1 1 -25 30 11 o 47.38205 21.17303 -20.63857      120.2544 0.000000       0.000000 -20.63857      120.2544 ?        ?        47.38205 21.17303 0.000000       21.17303 
1 1 1 -25 30 12 o 52.54383 22.83957 15.38011       131.1225 0.000000       0.000000 15.38011       131.1225 ?        ?        52.54383 22.83957 0.000000       22.83957 
1 1 1 -25 30 13 o 60.88143 24.57576 88.91534       135.4060 0.000000       0.000000 88.91534       135.4060 ?        ?        60.88143 24.57576 0.000000       24.57576 
1 1 1 -25 30 14 o 71.66071 25.81577 171.9525       138.6252 0.000000       0.000000 171.9525       138.6252 ?        ?        71.66071 25.81577 0.000000       25.81577 
1 1 1 -25 30 15 o 45.49698 21.00860 -64.86458      131.0742 0.000000       0.000000 -64.86458      131.0742 ?        ?        45.49698 21.00860 0.000000       21.00860 
1 1 1 -25 30 16 o 60.69338 24.64968 90.10557       137.1691 0.000000       0.000000 90.10557       137.1691 ?        ?        60.69338 24.64968 0.000000       24.64968 
1 1 1 -25 30 17 o 58.45052 24.33613 70.29856       138.0995 0.000000       0.000000 70.29856       138.0995 ?        ?        58.45052 24.33613 0.000000       24.33613 
1 1 1 -25 30 18 f 65.97248 24.65739 140.4575       128.3282 0.000000       0.000000 140.4575       128.3282 ?        ?        65.97248 24.65739 0.000000       24.65739 
1 1 1 -25 30 19 o 92.67215 25.23796 316.1801       140.8441 0.000000       0.000000 316.1801       140.8441 ?        ?        92.67215 25.23796 0.000000       25.23796 
1 1 1 -25 30 20 o 108.0181 23.71844 417.4944       146.1329 0.000000       0.000000 417.4944       146.1329 ?        ?        108.0181 23.71844 0.000000       23.71844 
1 1 1 -25 30 21 o 55.05070 23.71845 42.17989       138.9217 0.000000       0.000000 42.17989       138.9217 ?        ?        55.05070 23.71845 0.000000       23.71845 
1 1 1 -25 30 22 o 55.36235 24.55665 19.62769       158.7184 0.000000       0.000000 19.62769       158.7184 ?        ?        55.36235 24.55665 0.000000       24.55665 
1 1 1 -25 30 23 o 69.52921 26.43431 168.4863       148.9089 0.000000       0.000000 168.4863       148.9089 ?        ?        69.52921 26.43431 0.000000       26.43431 
1 1 1 -25 30 24 o 79.26408 26.60363 240.7515       145.8700 0.000000       0.000000 240.7515       145.8700 ?        ?        79.26408 26.60363 0.000000       26.60363 
1 1 1 -25 30 25 o 57.98413 24.67136 69.82159       146.9001 0.000000       0.000000 69.82159       146.9001 ?        ?        57.98413 24.67136 0.000000       24.67136 
1 1 1 -25 31 1  o 64.56598 23.64843 126.1005       116.9837 191.1346       425.4939 120.7827       121.6726 88.96655 39.78616 64.17057 24.00430 24.79598       46.46659 
1 1 1 -25 31 2  o 164.7641 14.44778 842.7582       138.1978 584.6382       457.8204 868.6360       144.9599 110.9953 45.04992 166.9606 14.96262 -55.96526      47.46973 
1 1 1 -25 31 3  o 84.26597 24.68912 247.6980       129.8400 0.000000       0.000000 247.6980       129.8400 ?        ?        84.26597 24.68912 0.000000       24.68912 
1 1 1 -25 31 4  o 102.2702 21.80992 353.2084       126.8189 378.8738       477.0795 351.2569       131.5520 99.02377 43.29525 101.4622 22.67860 -2.438477      48.87532 
1 1 1 -25 31 5  o 207.5169 23.96174 1458.609       286.2734 0.000000       0.000000 1458.609       286.2734 ?        ?        207.5169 23.96174 0.000000       23.96174 
1 1 1 -25 31 6  o 34.08140 16.86607 -256.3170      125.1046 0.000000       0.000000 -256.3170      125.1046 ?        ?        34.08140 16.86607 0.000000       16.86607 
1 1 1 -25 31 7  o 105.5241 23.08467 382.6488       138.8819 0.000000       0.000000 382.6488       138.8819 ?        ?        105.5241 23.08467 0.000000       23.08467 
1 1 1 -25 31 8  o 48.82853 21.67259 -11.49184      123.8267 0.000000       0.000000 -11.49184      123.8267 ?        ?        48.82853 21.67259 0.000000       21.67259 
1 1 1 -25 31 9  o 70.86755 25.90897 163.2650       140.3194 0.000000       0.000000 163.2650       140.3194 ?        ?        70.86755 25.90897 0.000000       25.90897 
1 1 1 -25 31 10 o 117.7116 21.90038 469.6940       145.6266 0.000000       0.000000 469.6940       145.6266 ?        ?        117.7116 21.90038 0.000000       21.90038 
1 1 1 -25 31 11 o 94.60982 22.61201 310.3965       123.7545 0.000000       0.000000 310.3965       123.7545 ?        ?        94.60982 22.61201 0.000000       22.61201 
1 1 1 -25 31 12 o 63.21873 24.05685 118.6503       123.3972 0.000000       0.000000 118.6503       123.3972 ?        ?        63.21873 24.05685 0.000000       24.05685 
1 1 1 -25 31 13 o 52.88332 23.08162 16.83203       135.0849 0.000000       0.000000 16.83203       135.0849 ?        ?        52.88332 23.08162 0.000000       23.08162 
1 1 1 -25 31 14 o 43.43627 20.49442 -108.0156      136.1790 0.000000       0.000000 -108.0156      136.1790 ?        ?        43.43627 20.49442 0.000000       20.49442 
1 1 1 -25 31 15 o 90.10732 25.17003 296.1456       138.1076 0.000000       0.000000 296.1456       138.1076 ?        ?        90.10732 25.17003 0.000000       25.17003 
1 1 1 -25 31 16 o 46.31707 21.66228 -88.10898      146.4287 0.000000       0.000000 -88.10898      146.4287 ?        ?        46.31707 21.66228 0.000000       21.66228 
1 1 1 -25 31 17 o 98.01866 26.91473 362.1864       159.4208 0.000000       0.000000 362.1864       159.4208 ?        ?        98.01866 26.91473 0.000000       26.91473 
1 1 1 -25 31 18 o 58.66951 25.65303 41.23489       167.5109 0.000000       0.000000 41.23489       167.5109 ?        ?        58.66951 25.65303 0.000000       25.65303 
1 1 1 -25 31 19 o 92.80182 26.71379 327.6808       153.2271 0.000000       0.000000 327.6808       153.2271 ?        ?        92.80182 26.71379 0.000000       26.71379 
1 1 1 -25 31 20 o 50.75826 23.16888 -31.78756      153.2395 0.000000       0.000000 -31.78756      153.2395 ?        ?        50.75826 23.16888 0.000000       23.16888 
1 1 1 -25 31 21 o 97.74554 27.25656 370.7677       162.1044 0.000000       0.000000 370.7677       162.1044 ?        ?        97.74554 27.25656 0.000000       27.25656 
1 1 1 -25 31 22 f 55.42577 24.45822 27.63894       155.4895 0.000000       0.000000 27.63894       155.4895 ?        ?        55.42577 24.45822 0.000000       24.45822 
1 1 1 -25 31 23 o 84.55269 28.26487 285.1178       164.6750 0.000000       0.000000 285.1178       164.6750 ?        ?        84.55269 28.26487 0.000000       28.26487 
1 1 1 -25 31 24 o 70.59378 27.71481 178.3804       167.5851 0.000000       0.000000 178.3804       167.5851 ?        ?        70.59378 27.71481 0.000000       27.71481 
1 1 1 -25 32 1  o 110.4508 21.65220 412.0659       135.2401 237.9252       432.3503 430.9527       142.3852 89.90944 40.16382 112.5367 22.36167 -22.62724      45.96930 
1 1 1 -25 32 2  o 76.58356 24.50490 203.2078       124.3974 1258.977       447.3072 114.7088       129.5063 162.7210 45.24039 63.62628 24.53574 99.09473       51.46548 
1 1 1 -25 32 3  o 49.37427 21.90078 -9.671929      126.2464 142.7974       459.5087 -22.12046      131.2991 86.47737 39.71481 49.17253 22.03738 37.30484       45.41929 
1 1 1 -25 32 4  o 55.41419 23.39565 45.39671       130.3897 0.000000       0.000000 45.39671       130.3897 ?        ?        55.41419 23.39565 0.000000       23.39565 
1 1 1 -25 32 5  o 55.33243 23.45449 43.01244       131.9137 144.3617       492.7586 35.18847       136.9107 87.32164 40.46595 55.25568 23.67223 32.06596       46.88142 
1 1 1 -25 32 6  o 124.2457 19.76215 510.3334       139.1834 0.000000       0.000000 510.3334       139.1834 ?        ?        124.2457 19.76215 0.000000       19.76215 
1 1 1 -25 32 7  o 53.49658 22.73081 37.08591       124.4052 0.000000       0.000000 37.08591       124.4052 ?        ?        53.49658 22.73081 0.000000       22.73081 
1 1 1 -25 32 8  o 52.64520 23.46794 -8.147663      146.7991 0.000000       0.000000 -8.147663      146.7991 ?        ?        52.64520 23.46794 0.000000       23.46794 
1 1 1 -25 32 9  o 173.4976 14.78130 944.9041       148.9722 0.000000       0.000000 944.9041       148.9722 ?        ?        173.4976 14.78130 0.000000       14.78130 
1 1 1 -25 32 10 o 93.67342 26.90047 324.7877       155.5521 0.000000       0.000000 324.7877       155.5521 ?        ?        93.67342 26.90047 0.000000       26.90047 
1 1 1 -25 32 11 o 92.47540 25.66213 312.1449       144.0738 0.000000       0.000000 312.1449       144.0738 ?        ?        92.47540 25.66213 0.000000       25.66213 
1 1 1 -25 32 12 o 34.20676 16.97479 -271.0869      130.0311 0.000000       0.000000 -271.0869      130.0311 ?        ?        34.20676 16.97479 0.000000       16.97479 
1 1 1 -25 32 13 o 67.86260 26.01370 147.0737       144.9753 0.000000       0.000000 147.0737       144.9753 ?        ?        67.86260 26.01370 0.000000       26.01370 
1 1 1 -25 32 14 o 90.02508 25.30912 297.8145       139.1641 0.000000       0.000000 297.8145       139.1641 ?        ?        90.02508 25.30912 0.000000       25.30912 
1 1 1 -25 32 15 o 83.62959 25.71509 258.7062       138.3539 0.000000       0.000000 258.7062       138.3539 ?        ?        83.62959 25.71509 0.000000       25.71509 
1 1 1 -25 32 16 o 121.0826 23.75564 521.1241       162.6655 0.000000       0.000000 521.1241       162.6655 ?        ?        121.0826 23.75564 0.000000       23.75564 
1 1 1 -25 32 17 o 54.32612 24.32965 1.591288       159.7247 0.000000       0.000000 1.591288       159.7247 ?        ?        54.32612 24.32965 0.000000       24.32965 
1 1 1 -25 32 18 o 107.6199 27.97293 449.4774       178.1579 0.000000       0.000000 449.4774       178.1579 ?        ?        107.6199 27.97293 0.000000       27.97293 
1 1 1 -25 32 19 o 53.29445 24.31353 -24.50376      168.4645 0.000000       0.000000 -24.50376      168.4645 ?        ?        53.29445 24.31353 0.000000       24.31353 
1 1 1 -25 32 20 o 162.1234 19.53242 887.0838       181.9798 0.000000       0.000000 887.0838       181.9798 ?        ?        162.1234 19.53242 0.000000       19.53242 
1 1 1 -25 32 21 o 59.84576 26.04858 60.74449       171.0378 0.000000       0.000000 60.74449       171.0378 ?        ?        59.84576 26.04858 0.000000       26.04858 
1 1 1 -25 32 22 o 86.47289 29.37684 307.8232       177.8732 0.000000       0.000000 307.8232       177.8732 ?        ?        86.47289 29.37684 0.000000       29.37684 
1 1 1 -25 33 1  o 80.60023 25.54335 231.9842       135.4289 311.0295       418.8652 222.7563       143.1159 91.65890 40.30661 79.04649 26.34821 12.61240       48.15446 
1 1 1 -25 33 2  o 64.78999 25.17368 121.7555       137.0976 -367.4568      418.2649 180.6420       145.1144 66.44612 32.46949 73.00421 26.39804 -6.558090      41.84644 
1 1 1 -25 33 3  o 165.2839 15.55386 863.4101       148.9992 970.2712       460.9886 850.9442       157.4503 132.6888 47.16024 163.2101 16.68371 -30.52121      50.02434 
1 1 1 -25 33 4  o 56.28885 23.49590 57.81903       129.2084 -315.4714      465.8380 88.93086       134.4851 70.88996 34.55896 60.46381 24.46160 10.42615       42.34019 
1 1 1 -25 33 5  o 99.04138 24.06282 347.8074       138.3727 0.000000       0.000000 347.8074       138.3727 ?        ?        99.04138 24.06282 0.000000       24.06282 
1 1 1 -25 33 6  o 51.82646 23.02431 -3.347856      140.0756 375.0689       465.0972 -41.09672      146.8962 94.31026 41.92295 49.91773 22.74638 44.39253       47.69624 
1 1 1 -25 33 7  o 41.86544 19.98884 -138.1552      137.3029 0.000000       0.000000 -138.1552      137.3029 ?        ?        41.86544 19.98884 0.000000       19.98884 
1 1 1 -25 33 8  o 45.82553 21.08763 -56.58163      130.4545 0.000000       0.000000 -56.58163      130.4545 ?        ?        45.82553 21.08763 0.000000       21.08763 
1 1 1 -25 33 9  o 65.16393 26.01210 120.8423       149.9213 0.000000       0.000000 120.8423       149.9213 ?        ?        65.16393 26.01210 0.000000       26.01210 
1 1 1 -25 33 10 o 68.40845 26.22210 150.1463       147.3042 0.000000       0.000000 150.1463       147.3042 ?        ?        68.40845 26.22210 0.000000       26.22210 
1 1 1 -25 33 11 o 133.6523 20.14260 600.1465       152.9854 0.000000       0.000000 600.1465       152.9854 ?        ?        133.6523 20.14260 0.000000       20.14260 
1 1 1 -25 33 12 o 103.1749 24.51445 384.5779       146.1313 0.000000       0.000000 384.5779       146.1313 ?        ?        103.1749 24.51445 0.000000       24.51445 
1 1 1 -25 33 13 o 91.46915 25.63534 310.2822       143.0081 0.000000       0.000000 310.2822       143.0081 ?        ?        91.46915 25.63534 0.000000       25.63534 
1 1 1 -25 33 14 o 59.05946 24.48064 80.11986       138.8665 0.000000       0.000000 80.11986       138.8665 ?        ?        59.05946 24.48064 0.000000       24.48064 
1 1 1 -25 33 15 o 73.71548 27.59849 195.3813       160.9080 0.000000       0.000000 195.3813       160.9080 ?        ?        73.71548 27.59849 0.000000       27.59849 
1 1 1 -25 33 16 o 57.29718 25.71646 11.32800       179.5228 0.000000       0.000000 11.32800       179.5228 ?        ?        57.29718 25.71646 0.000000       25.71646 
1 1 1 -25 33 17 o 66.18163 28.11567 112.1928       190.2708 0.000000       0.000000 112.1928       190.2708 ?        ?        66.18163 28.11567 0.000000       28.11567 
1 1 1 -25 33 18 o 51.78550 23.78783 -39.00002      164.9797 0.000000       0.000000 -39.00002      164.9797 ?        ?        51.78550 23.78783 0.000000       23.78783 
1 1 1 -25 33 19 f 54.91685 25.01427 -14.69819      177.4214 0.000000       0.000000 -14.69819      177.4214 ?        ?        54.91685 25.01427 0.000000       25.01427 
1 1 1 -25 33 20 o 75.57819 29.59921 217.8933       190.7534 0.000000       0.000000 217.8933       190.7534 ?        ?        75.57819 29.59921 0.000000       29.59921 
1 1 1 -25 34 1  o 184.7215 14.72303 1072.478       158.1826 1396.661       439.5346 1024.243       169.5426 171.0288 43.67278 179.1513 16.31528 -8.122498      46.62081 
1 1 1 -25 34 2  o 86.54440 27.19695 278.8658       153.8310 234.7464       440.6177 284.9900       164.1607 87.03244 39.55576 86.95660 28.18027 0.7583618E-01  48.56733 
1 1 1 -25 34 3  o 83.79066 26.91642 259.6557       149.9787 1317.521       456.8780 131.8919       158.7775 159.8611 46.16232 67.20191 26.78804 92.65919       53.37189 
1 1 1 -25 34 4  o 116.7823 23.27518 477.2557       153.8137 662.6909       459.3083 453.8333       163.2391 108.7232 44.74077 112.0276 25.42933 -3.304436      51.46249 
1 1 1 -25 34 5  o 32.83904 16.46421 -347.1479      136.6015 82.48940       423.6759 -396.9921      144.3080 79.80640 37.16650 32.77514 16.49802 47.03126       40.66366 
1 1 1 -25 34 6  o 52.71231 23.64424 -10.72595      151.5027 0.000000       0.000000 -10.72595      151.5027 ?        ?        52.71231 23.64424 0.000000       23.64424 
1 1 1 -25 34 7  o 54.65718 23.70889 30.59741       140.6897 971.8280       447.4568 -72.66122      148.2062 130.2960 46.44678 47.66692 22.12499 82.62911       51.44724 
1 1 1 -25 34 8  o 67.74265 26.51797 142.9187       153.0456 0.000000       0.000000 142.9187       153.0456 ?        ?        67.74265 26.51797 0.000000       26.51797 
1 1 1 -25 34 9  o 60.49814 25.28593 80.37784       149.9364 0.000000       0.000000 80.37784       149.9364 ?        ?        60.49814 25.28593 0.000000       25.28593 
1 1 1 -25 34 10 o 80.13908 27.26867 240.4050       153.2673 0.000000       0.000000 240.4050       153.2673 ?        ?        80.13908 27.26867 0.000000       27.26867 
1 1 1 -25 34 11 o 57.78510 24.68692 57.45835       148.1463 0.000000       0.000000 57.45835       148.1463 ?        ?        57.78510 24.68692 0.000000       24.68692 
1 1 1 -25 34 12 o 47.32595 22.20924 -92.84875      156.1328 0.000000       0.000000 -92.84875      156.1328 ?        ?        47.32595 22.20924 0.000000       22.20924 
1 1 1 -25 34 13 o 111.7318 24.25962 452.6906       154.4024 0.000000       0.000000 452.6906       154.4024 ?        ?        111.7318 24.25962 0.000000       24.25962 
1 1 1 -25 34 14 o 71.16912 27.81191 174.0512       168.1091 0.000000       0.000000 174.0512       168.1091 ?        ?        71.16912 27.81191 0.000000       27.81191 
1 1 1 -25 34 15 o 61.48211 26.73079 66.77247       179.6908 0.000000       0.000000 66.77247       179.6908 ?        ?        61.48211 26.73079 0.000000       26.73079 
1 1 1 -25 34 16 o 80.51681 30.41060 256.8483       196.3053 0.000000       0.000000 256.8483       196.3053 ?        ?        80.51681 30.41060 0.000000       30.41060 
1 1 1 -25 34 17 o 83.27317 28.91186 277.6880       172.5583 0.000000       0.000000 277.6880       172.5583 ?        ?        83.27317 28.91186 0.000000       28.91186 
1 1 1 -25 35 1  o 111.4806 23.57311 440.2315       149.2983 520.4686       368.6720 424.4919       163.2865 101.7955 40.73835 107.1893 26.19922 -5.393814      48.43565 
1 1 1 -25 35 2  o 132.3611 21.96797 603.0949       164.5543 965.1490       381.2468 520.2027       182.4217 138.4027 42.71014 118.3638 26.89248 20.03899       50.47139 
1 1 1 -25 35 3  o 127.9332 21.39139 560.3328       154.8368 791.3270       364.3627 509.4258       171.0496 124.2154 42.04674 118.4394 25.38785 5.776062       49.11691 
1 1 1 -25 35 4  f 72.02773 26.30808 181.1277       144.6245 597.1592       362.1612 102.1957       157.7486 107.4088 41.12995 63.44009 26.17472 43.96870       48.75232 
1 1 1 -25 35 5  o 67.88921 25.79597 151.1792       141.7538 42.38161       341.9175 173.7607       155.7715 73.04270 33.79967 71.33779 27.05647 1.704910       43.29515 
1 1 1 -25 35 6  o 84.49991 26.77487 269.4181       148.8079 374.5730       345.6852 245.5000       164.8651 91.17051 38.26938 80.53726 28.24028 10.63325       47.56110 
1 1 1 -25 35 7  o 72.05574 27.57305 179.3802       162.6876 0.000000       0.000000 179.3802       162.6876 ?        ?        72.05574 27.57305 0.000000       27.57305 
1 1 1 -25 35 8  o 57.08633 24.56748 50.16325       148.7196 -309.7486      392.6063 110.4589       160.6949 63.97067 31.30190 64.20293 26.44651 -0.2322540     40.97837 
1 1 1 -25 35 9  o 68.56983 26.88321 153.1102       157.4944 553.7035       429.9207 91.01765       169.2608 99.64336 42.29414 62.96611 26.62349 36.67725       49.97604 
1 1 1 -25 35 10 o 59.79545 25.74247 63.26408       163.3959 0.000000       0.000000 63.26408       163.3959 ?        ?        59.79545 25.74247 0.000000       25.74247 
1 1 1 -25 35 11 o 90.80619 27.85036 322.0531       162.4138 0.000000       0.000000 322.0531       162.4138 ?        ?        90.80619 27.85036 0.000000       27.85036 
1 1 1 -25 35 12 o 64.12915 26.80676 106.4813       168.5448 0.000000       0.000000 106.4813       168.5448 ?        ?        64.12915 26.80676 0.000000       26.80676 
1 1 1 -25 35 13 o 58.34322 25.35258 51.77823       161.4604 0.000000       0.000000 51.77823       161.4604 ?        ?        58.34322 25.35258 0.000000       25.35258 
1 1 1 -25 35 14 o 133.9054 26.25754 670.3244       198.8342 0.000000       0.000000 670.3244       198.8342 ?        ?        133.9054 26.25754 0.000000       26.25754 
1 1 1 -25 35 15 o 62.58801 27.31591 75.55502       189.1716 0.000000       0.000000 75.55502       189.1716 ?        ?        62.58801 27.31591 0.000000       27.31591 
1 1 1 -25 36 1  o 54.44867 23.77842 27.45150       143.5413 39.03186       277.0804 23.20359       167.8157 68.45881 31.21239 57.18671 25.31410 11.27210       40.18727 
1 1 1 -25 36 2  f 101.2930 23.84567 369.7144       139.2920 -46.56561      264.0002 530.3063       163.9733 62.95496 29.32528 122.0315 23.76629 -59.07658      37.74664 
1 1 1 -25 36 3  o 76.15276 26.36930 212.8599       143.4993 256.9174       273.2084 196.0751       168.6331 82.15763 34.22000 74.17313 28.14680 7.984497       44.30859 
1 1 1 -25 36 4  o 48.39888 22.45146 -66.73997      152.2691 151.2482       267.9955 -170.6605      185.0383 74.37518 32.48541 47.68748 22.88496 26.68771       39.73692 
1 1 1 -25 36 5  o 97.67489 26.46086 360.6189       155.3051 764.2558       264.7899 148.9482       191.7505 135.0431 33.57594 70.05300 28.87609 64.99009       44.28512 
1 1 1 -25 36 6  f 86.38403 26.36367 282.5670       145.7678 13.05530       272.3391 390.7798       172.5680 66.40343 30.52473 100.1322 28.19499 -33.72875      41.55378 
1 1 1 -25 36 7  o 54.18892 24.11728 9.726520       154.3944 -74.26550      327.8856 33.65550       175.0110 66.55963 31.52297 58.59821 25.89915 7.961426       40.79783 
1 1 1 -25 36 8  o 52.69196 23.99472 -25.00204      163.1215 -325.2473      400.4912 34.71418       178.6081 63.79049 31.29656 58.99688 26.11540 4.793610       40.76136 
1 1 1 -25 36 9  o 56.83231 25.30216 20.31957       170.0826 -357.1923      423.6387 92.86228       185.7066 64.40025 31.71270 64.26255 27.55113 0.1376953      42.00905 
1 1 1 -25 36 10 o 51.05797 23.76910 -68.29466      173.0233 211.2661       458.3381 -114.7551      186.8484 82.40529 38.46984 50.36534 23.83641 32.03995       45.25597 
1 1 1 -25 36 11 o 67.58595 28.04549 136.6108       182.5323 0.000000       0.000000 136.6108       182.5323 ?        ?        67.58595 28.04549 0.000000       28.04549 
1 1 1 -25 37 1  o 81.91122 28.08663 259.7283       162.6617 563.2468       291.3026 122.2116       196.0783 107.9494 37.55975 67.63301 28.62865 40.31638       47.22642 
1 1 1 -25 37 2  o 78.59323 27.84929 235.1587       160.6486 -144.6270      312.8262 371.1918       187.2218 62.51989 29.93725 95.46825 30.00415 -32.94836      42.38500 
1 1 1 -25 37 3  o 61.53792 25.71266 92.28220       154.9691 -28.18171      300.7487 135.8288       180.8225 66.16978 30.97900 67.76677 27.99800 -1.596985      41.75628 
1 1 1 -25 37 4  o 84.68204 27.19617 277.4800       153.1191 26.68584       285.9980 378.2519       181.2901 67.58729 31.14575 96.80613 29.37215 -29.21884      42.81099 
1 1 1 -24 0  1  o 57.01408 37.93978 -84.26988      341.0700 -84.26988      341.0700 -84.26988      341.0700 57.01408 37.93978 57.01408 37.93978 0.000000       0.000000 
1 1 1 -24 0  2  o 463.9698 21.13029 6413.292       572.2468 6413.292       572.2468 6413.292       572.2468 463.9698 21.13029 463.9698 21.13029 -0.000000      0.000000 
1 1 1 -24 0  3  o 385.1180 20.92169 4429.295       469.3345 4429.295       469.3345 4429.295       469.3345 385.1180 20.92169 385.1180 20.92169 -0.000000      0.000000 
1 1 1 -24 0  4  o 117.5335 40.26894 537.7358       249.3654 537.7358       249.3654 537.7358       249.3654 117.5335 40.26894 117.5335 40.26894 -0.000000      0.000000 
1 1 1 -24 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  6  o 86.96098 41.97194 337.9845       248.6689 337.9845       248.6689 337.9845       248.6689 86.96098 41.97194 86.96098 41.97194 0.000000       0.000000 
1 1 1 -24 0  7  o 343.1985 15.72220 3495.239       314.9359 3495.239       314.9359 3495.239       314.9359 343.1985 15.72220 343.1985 15.72220 0.000000       0.000000 
1 1 1 -24 0  8  o 285.7663 16.73584 2434.797       278.2630 2434.797       278.2630 2434.797       278.2630 285.7663 16.73584 285.7663 16.73584 0.000000       0.000000 
1 1 1 -24 0  9  o 71.50236 39.05454 220.3860       233.1988 220.3860       233.1988 220.3860       233.1988 71.50236 39.05454 71.50236 39.05454 -0.000000      0.000000 
1 1 1 -24 0  10 o 132.6801 36.33809 631.5551       244.4403 631.5551       244.4403 631.5551       244.4403 132.6801 36.33809 132.6801 36.33809 0.000000       0.000000 
1 1 1 -24 0  11 o 288.6722 16.82784 2485.002       282.6591 2485.002       282.6591 2485.002       282.6591 288.6722 16.82784 288.6722 16.82784 0.000000       0.000000 
1 1 1 -24 0  12 o 86.98863 40.33952 334.6793       227.6163 334.6793       227.6163 334.6793       227.6163 86.98863 40.33952 86.98863 40.33952 0.000000       0.000000 
1 1 1 -24 0  13 o 322.8285 15.75688 3096.223       296.6992 3096.223       296.6992 3096.223       296.6992 322.8285 15.75688 322.8285 15.75688 0.000000       0.000000 
1 1 1 -24 0  14 o 187.9839 23.78220 1098.086       250.7886 1098.086       250.7886 1098.086       250.7886 187.9839 23.78220 187.9839 23.78220 -0.000000      0.000000 
1 1 1 -24 0  15 o 269.0196 17.48193 2164.526       273.1108 2164.526       273.1108 2164.526       273.1108 269.0196 17.48193 269.0196 17.48193 -0.000000      0.000000 
1 1 1 -24 0  16 o 646.8259 17.31369 12384.96       655.7279 12384.96       655.7279 12384.96       655.7279 646.8259 17.31369 646.8259 17.31369 0.000000       0.000000 
1 1 1 -24 0  17 o 148.5332 31.96567 742.6043       244.3705 742.6043       244.3705 742.6043       244.3705 148.5332 31.96567 148.5332 31.96567 0.000000       0.000000 
1 1 1 -24 0  18 o 182.7239 21.12160 1028.179       218.4874 1028.179       218.4874 1028.179       218.4874 182.7239 21.12160 182.7239 21.12160 -0.000000      0.000000 
1 1 1 -24 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  20 o 92.88661 39.71399 371.8243       220.6797 371.8243       220.6797 371.8243       220.6797 92.88661 39.71399 92.88661 39.71399 0.000000       0.000000 
1 1 1 -24 0  21 o 35.28490 24.75580 -201.2693      195.0281 -201.2693      195.0281 -201.2693      195.0281 35.28490 24.75580 35.28490 24.75580 -0.000000      0.000000 
1 1 1 -24 0  22 o 312.6984 14.74480 2906.991       269.0304 2906.991       269.0304 2906.991       269.0304 312.6984 14.74480 312.6984 14.74480 0.000000       0.000000 
1 1 1 -24 0  23 o 57.61049 33.48269 127.8564       185.8034 127.8564       185.8034 127.8564       185.8034 57.61049 33.48269 57.61049 33.48269 0.000000       0.000000 
1 1 1 -24 0  24 o 42.09364 27.71280 -24.94188      174.2695 -24.94188      174.2695 -24.94188      174.2695 42.09364 27.71280 42.09364 27.71280 -0.000000      0.000000 
1 1 1 -24 0  25 o 36.66542 25.26405 -125.1701      180.1156 -125.1701      180.1156 -125.1701      180.1156 36.66542 25.26405 36.66542 25.26405 -0.000000      0.000000 
1 1 1 -24 0  26 o 32.54995 22.83763 -169.4494      166.0125 -169.4494      166.0125 -169.4494      166.0125 32.54995 22.83763 32.54995 22.83763 0.000000       0.000000 
1 1 1 -24 0  27 o 303.6486 14.30665 2748.453       253.4835 2748.453       253.4835 2748.453       253.4835 303.6486 14.30665 303.6486 14.30665 -0.000000      0.000000 
1 1 1 -24 0  28 o 274.2515 14.74100 2250.397       235.5221 2250.397       235.5221 2250.397       235.5221 274.2515 14.74100 274.2515 14.74100 -0.000000      0.000000 
1 1 1 -24 0  29 o 149.7269 22.27561 717.2946       182.8801 717.2946       182.8801 717.2946       182.8801 149.7269 22.27561 149.7269 22.27561 -0.000000      0.000000 
1 1 1 -24 0  30 o 313.3653 13.35050 2932.488       244.3418 2932.488       244.3418 2932.488       244.3418 313.3653 13.35050 313.3653 13.35050 0.000000       0.000000 
1 1 1 -24 0  31 o 120.1855 26.21005 498.0855       161.8427 498.0855       161.8427 498.0855       161.8427 120.1855 26.21005 120.1855 26.21005 -0.000000      0.000000 
1 1 1 -24 0  32 o 51.35416 29.80789 110.8449       146.9543 110.8449       146.9543 110.8449       146.9543 51.35416 29.80789 51.35416 29.80789 -0.000000      0.000000 
1 1 1 -24 0  33 o 27.12400 19.41291 -207.4356      142.5076 -207.4356      142.5076 -207.4356      142.5076 27.12400 19.41291 27.12400 19.41291 -0.000000      0.000000 
1 1 1 -24 0  34 o 33.53804 23.09672 -91.34834      150.0565 -91.34834      150.0565 -91.34834      150.0565 33.53804 23.09672 33.53804 23.09672 0.000000       0.000000 
1 1 1 -24 0  35 o 43.80585 28.15635 30.49254       165.3576 30.49254       165.3576 30.49254       165.3576 43.80585 28.15635 43.80585 28.15635 0.000000       0.000000 
1 1 1 -24 0  36 o 38.27064 25.62248 -30.77873      159.7310 -30.77873      159.7310 -30.77873      159.7310 38.27064 25.62248 38.27064 25.62248 0.000000       0.000000 
1 1 1 -24 0  37 o 142.0018 22.68007 672.3763       174.4588 672.3763       174.4588 672.3763       174.4588 142.0018 22.68007 142.0018 22.68007 0.000000       0.000000 
1 1 1 -24 0  38 o 38.51645 26.01523 -43.34136      171.5602 -43.34136      171.5602 -43.34136      171.5602 38.51645 26.01523 38.51645 26.01523 -0.000000      0.000000 
1 1 1 -24 0  39 o 79.31282 35.31381 309.4134       173.9561 309.4134       173.9561 309.4134       173.9561 79.31282 35.31381 79.31282 35.31381 0.000000       0.000000 
1 1 1 -24 0  40 o 101.6577 34.83158 446.4128       186.5631 446.4128       186.5631 446.4128       186.5631 101.6577 34.83158 101.6577 34.83158 0.000000       0.000000 
1 1 1 -24 0  41 f 394.0493 14.17179 4742.565       326.5487 4742.565       326.5487 4742.565       326.5487 394.0493 14.17179 394.0493 14.17179 -0.000000      0.000000 
1 1 1 -24 0  42 o 74.45815 37.81244 310.3537       206.3706 310.3537       206.3706 310.3537       206.3706 74.45815 37.81244 74.45815 37.81244 -0.000000      0.000000 
1 1 1 -24 0  43 o 260.8357 16.75910 2133.114       253.9120 2133.114       253.9120 2133.114       253.9120 260.8357 16.75910 260.8357 16.75910 0.000000       0.000000 
1 1 1 -24 1  1  o 187.7361 23.33111 1073.146       251.3557 756.3734       341.7014 1446.672       371.0510 152.9021 38.21406 216.0378 30.10192 -63.13562      48.64606 
1 1 1 -24 1  2  o 277.4996 17.23083 2296.150       279.0429 2234.403       396.2168 2356.915       393.0548 271.1931 25.20004 278.9296 24.26882 -7.736511      34.98597 
1 1 1 -24 1  3  o 867.1545 17.35494 22345.62       882.6124 20172.52       1403.821 23766.13       1135.002 813.3713 29.47755 890.9631 21.72133 -77.59186      36.61614 
1 1 1 -24 1  4  o 233.2699 16.24730 1622.037       220.8856 1136.763       343.0994 1965.543       288.6645 190.3857 31.85237 256.0623 19.36549 -65.67662      37.27728 
1 1 1 -24 1  5  o 271.5816 12.91798 2183.954       205.1630 2210.635       283.0090 2154.401       297.8480 272.0576 17.83571 268.2148 19.05899 3.842896       26.10283 
1 1 1 -24 1  6  o 157.9806 20.11180 756.6414       182.1211 886.6816       254.1815 619.4540       261.0731 169.3799 26.45204 139.4003 32.53026 29.97961       41.92766 
1 1 1 -24 1  7  o 213.7865 14.93977 1360.511       186.1371 1370.054       258.0615 1350.163       268.7384 213.0345 20.92457 211.1447 22.02545 1.889786       30.38022 
1 1 1 -24 1  8  o 91.44711 28.26220 255.2569       166.8647 302.1616       225.2292 198.1869       248.4391 100.4095 33.03856 90.76234 34.22650 9.647133       47.57099 
1 1 1 -24 1  9  o 320.0632 11.29595 3025.960       211.7032 3124.727       299.1437 2926.862       299.6440 324.1389 15.78359 313.5219 16.35276 10.61700       22.72739 
1 1 1 -24 1  10 o 199.6022 15.66043 1189.072       181.8571 836.5959       249.2362 1590.395       265.9458 164.1875 26.80753 229.8862 19.92204 -65.69878      33.39957 
1 1 1 -24 1  11 o 247.5858 12.88712 1816.818       186.4809 1725.771       253.3580 1924.455       275.4758 240.0308 18.13179 253.3870 18.66847 -13.35619      26.02448 
1 1 1 -24 1  12 o 228.3448 13.47124 1547.740       179.6038 1498.623       246.5166 1603.309       262.2049 223.3424 19.00042 230.9057 19.54568 -7.563309      27.25893 
1 1 1 -24 1  13 o 288.7443 11.62983 2464.898       196.5385 2645.076       284.1140 2299.556       272.1659 297.9730 16.32024 277.6398 16.79333 20.33319       23.41722 
1 1 1 -24 1  14 o 431.0450 10.77313 5479.281       272.3423 5334.904       378.4641 5634.331       392.2038 423.8654 15.24946 435.5668 15.37760 -11.70139      21.65679 
1 1 1 -24 1  15 o 703.4473 12.85939 14627.88       530.5208 14776.42       758.7975 14485.83       742.0231 703.8329 18.39833 697.0205 18.16736 6.812439       25.85636 
1 1 1 -24 1  16 o 377.9735 10.79660 4216.667       239.0857 4166.606       337.5535 4267.065       338.6858 374.4668 15.40305 379.0046 15.26834 -4.537750      21.68816 
1 1 1 -24 1  17 o 407.2171 13.58863 4912.981       324.0735 4832.125       447.6260 5002.043       469.7957 401.8701 19.04657 408.6241 19.66123 -6.753967      27.37400 
1 1 1 -24 1  18 o 356.4844 13.37953 3766.108       279.2289 3688.876       379.6940 3857.073       412.0684 351.1256 18.50361 358.6020 19.66854 -7.476410      27.00435 
1 1 1 -24 1  19 o 544.8192 11.10762 8762.475       354.9146 8568.944       494.8782 8967.433       509.2816 536.7510 15.73780 549.0532 15.83240 -12.30219      22.32361 
1 1 1 -24 1  20 o 133.1967 20.96696 545.3795       158.3789 518.5850       217.1102 575.8566       231.5497 127.3986 29.62083 134.2042 30.15607 -6.805641      42.27035 
1 1 1 -24 1  21 o 64.23080 25.42204 74.59869       142.0267 29.10322       197.0134 123.8253       204.9329 68.12516 28.75997 78.09511 30.65143 -9.969948      42.03149 
1 1 1 -24 1  22 o 248.0612 11.62263 1824.631       168.6182 1914.232       231.1007 1722.630       246.5751 252.9690 15.65368 239.2636 17.69730 13.70537       23.62694 
1 1 1 -24 1  23 o 284.3191 10.84952 2394.468       180.5799 2308.017       247.5073 2492.862       264.0519 277.7740 15.25161 288.5608 15.66146 -10.78683      21.86076 
1 1 1 -24 1  24 o 49.70969 21.81737 -22.92570      122.1826 51.28214       172.3881 -97.83354      173.1992 65.98020 27.30585 53.91926 24.61932 12.06094       36.76575 
1 1 1 -24 1  25 o 42.28804 19.92121 -131.6571      127.7521 -133.5378      175.7059 -129.5478      186.0775 52.00488 24.12190 54.14853 25.01342 -2.143650      34.74964 
1 1 1 -24 1  26 f 59.51485 23.56587 66.05737       122.0938 147.0393       167.1243 -26.63504      178.8000 75.54550 28.15801 59.91400 26.34109 15.63150       38.55809 
1 1 1 -24 1  27 o 183.3969 13.05251 1007.528       139.4725 1125.527       192.6327 877.5125       202.2028 192.4277 17.25203 168.2936 20.93807 24.13412       27.12997 
1 1 1 -24 1  28 o 228.7394 12.25469 1563.678       163.7969 1721.948       220.5109 1368.855       244.6532 238.5904 15.84877 210.6579 20.04387 27.93248       25.55270 
1 1 1 -24 1  29 o 164.6270 13.30100 817.1439       127.3283 681.1507       182.7822 945.3531       177.4740 146.7771 21.90300 175.4766 17.47721 -28.69952      28.02132 
1 1 1 -24 1  30 o 240.2932 10.16530 1721.829       142.9323 1736.480       205.7034 1708.152       198.7494 239.1460 14.73815 237.3953 14.34213 1.750671       20.56477 
1 1 1 -24 1  31 o 223.7509 10.61622 1499.291       138.9136 1648.368       193.9102 1342.128       199.0997 232.7112 14.27671 208.6754 16.40026 24.03581       21.74380 
1 1 1 -24 1  32 o 167.7182 12.78890 854.8094       124.8466 861.2868       173.6832 847.8845       179.5842 165.4704 18.19728 163.6345 19.06995 1.835861       26.35914 
1 1 1 -24 1  33 o 50.15240 21.42549 16.97878       111.5828 -111.0731      152.6837 163.7654       163.4719 47.39260 22.15055 73.92175 27.78778 -26.52916      35.53600 
1 1 1 -24 1  34 o 56.11706 22.44623 67.51587       111.8636 47.63627       151.2339 91.53183       166.2246 59.44408 25.15156 65.67985 26.95950 -6.235767      36.87025 
1 1 1 -24 1  35 o 70.80052 23.51061 166.1813       113.9729 128.1609       153.1066 213.4342       170.6868 67.84107 26.53300 79.28159 28.63483 -11.44052      39.03785 
1 1 1 -24 1  36 o 77.97282 23.10300 210.2704       113.1614 79.87278       160.7361 338.4155       159.3418 62.79173 26.20793 96.34628 27.08030 -33.55455      37.68552 
1 1 1 -24 1  37 o 165.3114 13.12202 845.8377       126.1765 794.4606       178.2516 897.4333       178.6301 154.9394 20.08894 166.0141 18.67002 -11.07469      27.42509 
1 1 1 -24 1  38 o 59.52459 23.23591 98.35934       117.2360 94.29149       171.1169 101.9579       160.9437 64.27465 26.94884 64.09757 26.44148 0.1770782      37.75436 
1 1 1 -24 1  39 o 58.83963 23.70378 89.11565       125.6898 91.87037       176.7543 86.29783       178.7672 64.04767 27.14930 63.73189 27.16978 0.3157806      38.40939 
1 1 1 -24 1  40 o 176.4781 13.78341 979.8955       141.5279 976.5453       203.1994 983.0519       197.2350 169.0335 20.94520 170.5184 20.10879 -1.484940      29.03558 
1 1 1 -24 1  41 o 135.2168 18.37368 610.9399       141.9398 695.9509       206.6256 534.9791       195.3177 135.6058 26.93084 116.2495 28.79830 19.35631       39.42857 
1 1 1 -24 1  42 o 166.1164 15.57546 892.3702       149.9715 907.0444       206.7321 876.0690       217.8910 159.6535 22.71946 154.2434 24.93751 5.410049       33.73504 
1 1 1 -24 1  43 o 67.87359 26.31096 162.6408       149.5003 -96.89011      209.5991 431.4184       213.3003 53.35179 25.24865 98.24899 32.14209 -44.89721      40.87307 
1 1 1 -24 2  1  o 444.8503 15.04740 5867.374       392.0130 6389.871       561.7623 5371.432       547.3007 461.9828 20.78692 422.9004 22.14385 39.08237       30.37180 
1 1 1 -24 2  2  o 320.8871 15.87189 3060.323       297.7705 2833.989       400.8378 3339.037       444.8084 306.7094 22.43917 332.8552 22.92599 -26.14575      32.07986 
1 1 1 -24 2  3  o 393.6005 12.51353 4579.126       288.4921 4131.072       449.3908 4893.219       376.2599 371.2539 20.72189 405.9333 15.83495 -34.67935      26.07954 
1 1 1 -24 2  4  o 533.6446 15.41490 8446.704       481.9344 8118.680       653.0595 8838.966       714.1461 520.4133 21.44298 542.4532 22.49665 -22.03992      31.07894 
1 1 1 -24 2  5  o 295.6547 14.82185 2595.082       256.1830 3440.983       501.9867 2297.185       297.8963 336.6944 25.61398 277.1784 18.43016 59.51599       31.55546 
1 1 1 -24 2  6  o 158.8105 19.56565 763.2498       178.3836 490.9174       240.7830 1094.565       265.5810 124.1323 32.64524 189.1687 24.51445 -65.03640      40.82487 
1 1 1 -24 2  7  o 172.2886 17.61848 891.7908       175.5189 1017.491       239.2495 745.2932       258.2842 182.7612 22.81682 153.9579 29.68118 28.80325       37.43768 
1 1 1 -24 2  8  o 216.8185 14.50055 1398.285       183.3274 1315.837       248.3846 1496.947       271.7112 208.8038 20.54914 222.6808 21.05535 -13.87701      29.42099 
1 1 1 -24 2  9  o 83.61234 28.16603 201.5341       163.4986 251.0471       222.1949 143.0694       241.4469 94.17677 32.80111 84.72758 33.26554 9.449181       46.71733 
1 1 1 -24 2  10 o 75.31197 27.18703 147.1465       153.8385 69.23395       209.3708 238.5651       226.7931 73.90836 30.28792 93.08309 33.07902 -19.17474      44.85064 
1 1 1 -24 2  11 o 244.3719 12.97478 1770.348       185.2860 1669.064       257.0972 1879.803       267.2664 235.8616 18.74012 250.5143 18.31781 -14.65271      26.20561 
1 1 1 -24 2  12 f 189.0889 15.36745 1067.265       168.9513 1127.618       232.0058 999.1246       246.5206 193.0194 20.82417 180.6719 23.84722 12.34756       31.65969 
1 1 1 -24 2  13 o 336.1705 11.13614 3337.579       219.2527 3187.850       304.9849 3497.729       315.4185 327.3158 15.93558 342.9545 15.72379 -15.63870      22.38705 
1 1 1 -24 2  14 o 77.57653 27.43298 162.5993       155.8153 117.1558       208.4378 220.1588       234.5845 78.33184 30.86136 91.68453 33.50283 -13.35269      45.55066 
1 1 1 -24 2  15 o 368.3822 11.00397 4006.458       237.4715 3826.441       333.2823 4192.098       338.4481 358.6894 15.88260 375.6243 15.39605 -16.93488      22.12002 
1 1 1 -24 2  16 o 607.4067 11.98070 10895.10       426.7882 10675.42       599.2415 11121.24       607.9930 598.8594 17.07931 611.3008 16.97515 -12.44141      24.08026 
1 1 1 -24 2  17 o 379.0917 13.13834 4255.713       291.6611 3912.162       384.5579 4720.936       447.5033 361.8251 18.18052 397.1029 19.27265 -35.27777      26.49465 
1 1 1 -24 2  18 o 339.0724 13.75658 3409.902       272.9925 4070.772       583.6509 3224.832       308.8604 364.5858 27.49896 329.0522 16.05312 35.53354       31.84173 
1 1 1 -24 2  19 o 264.4285 11.91683 2070.379       184.3326 2136.167       254.0206 1997.204       267.9044 267.5036 16.26848 258.1703 17.80288 9.333282       24.11650 
1 1 1 -24 2  20 o 173.0073 14.92751 895.4861       149.9816 721.6389       201.5745 1111.091       224.4818 152.9204 23.20368 191.3603 20.31213 -38.43990      30.83818 
1 1 1 -24 2  21 o 215.1926 12.46268 1375.527       156.6127 1231.650       207.6616 1565.299       238.4932 202.2536 17.68462 228.0892 17.97389 -25.83563      25.21521 
1 1 1 -24 2  22 o 219.5712 12.53266 1433.250       160.7170 1275.612       216.8353 1625.428       239.4149 205.5377 18.17533 232.3564 17.70220 -26.81871      25.37145 
1 1 1 -24 2  23 o 243.4199 11.62717 1758.887       165.5096 1734.521       225.4250 1787.384       243.7834 240.3992 16.08139 243.6634 17.16930 -3.264221      23.52437 
1 1 1 -24 2  24 o 208.3473 11.91006 1291.325       144.9236 1250.782       200.1776 1335.981       210.0871 203.5684 16.91978 210.3391 17.18008 -6.770752      24.11295 
1 1 1 -24 2  25 o 198.6333 12.53610 1176.868       145.2928 1290.771       204.4040 1060.547       206.5632 206.6318 17.01786 186.4025 19.16804 20.22929       25.63242 
1 1 1 -24 2  26 o 209.0864 11.88726 1302.288       145.1660 1314.354       201.7361 1289.330       209.0508 208.5162 16.63437 206.2016 17.45027 2.314621       24.10838 
1 1 1 -24 2  27 o 264.6407 10.63466 2079.827       164.7196 2249.429       231.1100 1904.719       234.8321 273.8046 14.44329 251.2287 16.02163 22.57596       21.57084 
1 1 1 -24 2  28 o 182.7639 12.99783 1002.440       138.4104 1048.937       192.3311 952.4923       199.3407 185.1058 17.94125 175.5595 19.70016 9.546280       26.64554 
1 1 1 -24 2  29 o 263.1207 10.38885 2060.821       159.9995 1904.618       229.7516 2207.909       222.9486 250.5413 15.71527 270.6934 14.09206 -20.15215      21.10819 
1 1 1 -24 2  30 o 124.9991 16.83676 484.7738       120.2929 579.8404       173.5236 396.8170       166.9087 134.0463 22.89399 108.8725 26.41318 25.17377       34.95413 
1 1 1 -24 2  31 o 202.4262 11.92866 1234.719       140.9871 1134.096       208.4855 1319.511       191.3824 190.1475 18.94733 207.1859 15.87122 -17.03845      24.71633 
1 1 1 -24 2  32 o 256.4693 10.01860 1968.455       150.4031 1884.711       211.0963 2054.796       214.3452 248.1837 14.56702 259.4826 14.13835 -11.29890      20.30003 
1 1 1 -24 2  33 o 78.21426 23.07141 204.6481       113.0586 167.1499       162.6744 239.6838       157.2420 74.26092 27.76037 83.76556 27.60740 -9.504639      39.15108 
1 1 1 -24 2  34 o 84.84017 22.25273 242.7853       112.0731 102.9554       158.1097 383.9878       158.8838 65.98823 26.58492 104.9294 25.96199 -38.94122      37.15889 
1 1 1 -24 2  35 o 143.4802 14.35850 639.8091       119.2021 625.8151       172.4321 652.6180       164.9698 136.7864 22.25900 140.9648 20.55968 -4.178421      30.30121 
1 1 1 -24 2  36 o 165.7626 13.06296 847.6874       125.9671 835.0742       176.8682 860.6713       179.4486 160.0764 19.22378 162.5593 19.19211 -2.482895      27.16415 
1 1 1 -24 2  37 o 109.6629 19.32970 398.7925       119.7775 497.6203       174.4066 310.5686       164.7845 117.6613 25.97057 91.17585 28.06922 26.48550       38.24071 
1 1 1 -24 2  38 o 103.7334 21.20997 368.9516       124.6773 434.1172       178.1180 306.3520       174.5760 107.1140 28.03335 89.22359 29.07125 17.89041       40.38572 
1 1 1 -24 2  39 o 49.05299 21.74269 -0.6284023     124.2100 26.52044       172.5779 -29.80681      178.9124 58.08487 25.69320 54.81130 25.02489 3.273571       35.86622 
1 1 1 -24 2  40 o 162.1760 14.40815 833.4910       135.6144 822.8392       185.8014 845.6354       198.3927 155.0070 20.97623 155.6999 22.36762 -0.6928711     30.66452 
1 1 1 -24 2  41 o 163.4488 15.74588 862.4966       149.0724 956.8214       206.4330 759.7043       215.4997 165.7097 21.76708 141.8431 26.88906 23.86665       34.59519 
1 1 1 -24 2  42 o 143.0965 18.70536 690.2248       153.2259 818.4719       212.5836 551.5554       221.0529 148.5668 25.30428 113.2588 31.91790 35.30796       40.73155 
1 1 1 -24 2  43 o 106.4448 23.97294 420.9251       146.0473 247.4426       216.8424 564.9590       197.5827 77.80302 31.20682 118.3105 28.75967 -40.50751      42.43801 
1 1 1 -24 3  1  o 88.57790 32.84817 195.3333       226.8889 189.5524       296.0254 203.5648       353.2426 94.68076 36.93328 101.1024 40.06795 -6.421600      54.49319 
1 1 1 -24 3  2  o 515.9134 12.58134 7860.030       380.6750 8109.129       639.8383 7723.544       473.6183 520.3811 21.00835 510.1306 15.84980 10.25052       26.31666 
1 1 1 -24 3  3  o 456.8849 12.30698 6167.078       329.4679 5663.605       510.8665 6525.601       431.0994 435.1286 20.07293 468.9010 15.69851 -33.77234      25.48266 
1 1 1 -24 3  4  o 345.2068 12.76055 3524.847       257.8999 3880.573       417.0302 3304.551       328.1805 360.0804 19.82425 333.1563 16.85105 26.92410       26.01843 
1 1 1 -24 3  5  o 200.6899 17.46721 1206.125       203.5428 771.9205       291.8350 1617.415       284.0298 155.7849 32.97143 231.6022 21.14374 -75.81734      39.16852 
1 1 1 -24 3  6  o 137.9299 24.61348 589.2901       191.8001 189.4974       264.6599 1031.514       278.3503 91.53682 35.13288 182.8246 26.75175 -91.28775      44.15853 
1 1 1 -24 3  7  o 156.1628 19.48087 738.4333       174.5477 878.0699       232.4864 558.0369       264.2481 169.1980 24.11022 131.9686 33.94902 37.22943       41.63939 
1 1 1 -24 3  8  o 72.30106 27.74200 112.1842       164.9873 330.0277       219.4617 -170.9646      250.2037 103.5613 32.47614 63.39492 29.18405 40.16639       43.66244 
1 1 1 -24 3  9  o 357.3114 10.79492 3768.089       225.9531 3866.261       313.8282 3662.422       325.5880 360.9074 14.85851 350.9520 15.85966 9.955414       21.73256 
1 1 1 -24 3  10 o 167.8633 17.32693 846.7481       168.1315 1104.471       230.5712 554.1028       245.6968 190.9955 20.92626 131.7212 32.10231 59.27432       38.32058 
1 1 1 -24 3  11 o 401.9099 10.68994 4766.400       251.7497 4699.486       352.3544 4836.179       359.8185 397.8369 15.12921 403.5558 15.23033 -5.718964      21.46756 
1 1 1 -24 3  12 o 270.3693 12.13295 2163.175       191.8962 2155.318       263.9026 2171.991       279.5362 268.7575 16.82741 269.5287 17.78345 -0.7711487     24.48291 
1 1 1 -24 3  13 o 266.3536 12.19852 2099.766       190.0473 2161.234       261.8460 2031.339       276.2686 269.1662 16.66906 260.4941 18.19798 8.672058       24.67841 
1 1 1 -24 3  14 o 285.5982 12.04633 2412.952       201.3188 2732.888       284.0188 2089.893       285.4018 302.9772 16.04121 264.1404 18.54124 38.83679       24.51730 
1 1 1 -24 3  15 o 328.7702 11.49111 3193.876       221.2263 3086.642       302.3903 3317.366       324.5011 322.0295 16.06181 333.6997 16.63340 -11.67014      23.12254 
1 1 1 -24 3  16 o 665.4737 17.00580 13179.06       663.1664 12485.14       893.4242 14030.53       989.6597 643.2677 23.72247 681.0654 24.81838 -37.79767      34.33231 
1 1 1 -24 3  17 o 245.5323 15.72815 1796.946       225.2926 1513.992       289.7971 2229.198       358.1827 223.3675 22.42500 271.3274 22.71758 -47.95990      31.92130 
1 1 1 -24 3  18 o 410.9179 10.57964 4983.662       254.7506 4718.731       351.1927 5277.876       370.0933 398.5163 15.05325 421.5182 14.99466 -23.00189      21.24713 
1 1 1 -24 3  19 o 646.8504 12.16690 12369.69       461.5667 12120.55       643.9915 12632.88       661.8838 637.4860 17.24082 650.7543 17.35810 -13.26837      24.46527 
1 1 1 -24 3  20 o 98.90371 24.57344 308.3693       141.9054 350.4250       180.1075 239.5258       230.4363 105.0361 28.51262 92.93056 33.30827 12.10553       43.84530 
1 1 1 -24 3  21 o 188.2993 13.68508 1057.307       150.0971 965.5423       194.9951 1190.739       235.1336 178.5312 18.91058 197.9194 20.55609 -19.38820      27.93140 
1 1 1 -24 3  22 o 65.54941 25.02803 95.81033       133.8477 23.76831       176.6767 192.8556       205.0565 64.31371 27.19722 85.24740 31.29538 -20.93369      41.46191 
1 1 1 -24 3  23 o 259.5290 11.18831 1997.286       169.8946 1743.090       227.4838 2317.900       255.4802 240.9346 16.19310 278.1565 15.72497 -37.22185      22.57191 
1 1 1 -24 3  24 o 155.3462 15.61064 728.2771       140.2977 602.0916       187.9244 887.1658       210.8749 138.3959 24.02402 169.5450 21.70462 -31.14911      32.37660 
1 1 1 -24 3  25 o 156.6888 15.02609 740.1202       136.3909 783.4427       186.3638 690.1537       200.1444 159.4946 20.38909 148.2700 23.82330 11.22466       31.35705 
1 1 1 -24 3  26 o 174.4880 13.60397 912.9944       138.1142 902.1216       196.0482 923.7077       194.6057 171.3301 19.87956 173.5560 19.45338 -2.225967      27.81423 
1 1 1 -24 3  27 f 434.4464 10.05677 5590.635       256.2389 5716.855       367.3414 5471.016       357.6077 436.8393 14.35781 427.3781 14.28746 9.461212       20.25532 
1 1 1 -24 3  28 o 305.1804 10.15884 2765.484       181.5706 2712.556       253.7583 2821.008       259.9113 300.3406 14.44879 306.2654 14.51155 -5.924774      20.47810 
1 1 1 -24 3  29 o 163.7301 13.70323 810.2012       130.3778 917.1863       179.4259 690.5211       189.7730 172.4900 18.00125 147.2979 22.69572 25.19211       28.96793 
1 1 1 -24 3  30 o 360.4743 11.73506 3893.152       247.7599 3634.168       333.7018 4211.284       369.8508 344.6562 16.55747 370.5933 17.06261 -25.93707      23.77568 
1 1 1 -24 3  31 o 286.4822 9.686222 2448.387       162.5090 2506.368       233.0874 2393.544       226.6911 287.3076 13.87416 280.7988 13.80774 6.508759       19.57412 
1 1 1 -24 3  32 o 102.4306 19.95306 340.1579       115.5531 405.7573       153.7844 255.0937       175.1200 109.7181 24.51736 86.62878 29.14972 23.08931       38.08947 
1 1 1 -24 3  33 o 95.02767 21.44960 299.7440       116.6974 433.2925       163.6892 161.7110       166.4148 112.4114 25.42622 73.81603 27.97263 38.59534       37.80160 
1 1 1 -24 3  34 o 85.75111 21.93469 247.5505       110.7426 386.7838       154.1672 99.11454       159.1805 105.7082 25.22076 65.63889 26.59203 40.06935       36.65001 
1 1 1 -24 3  35 o 79.49538 22.99560 216.4529       113.2827 288.8557       155.5489 134.6799       165.3080 89.74444 27.20241 69.50317 27.45242 20.24126       38.64721 
1 1 1 -24 3  36 o 117.7335 17.53854 447.6460       117.4095 438.3923       163.2435 457.5627       168.9897 111.0260 25.59460 113.1779 26.00613 -2.151924      36.48838 
1 1 1 -24 3  37 o 156.9811 18.65974 803.8059       168.4347 867.9464       196.7980 628.1477       325.6783 160.7407 21.40761 116.3583 39.74649 44.38244       45.14499 
1 1 1 -24 3  38 o 96.65064 22.86322 329.0178       127.5551 130.1075       191.2300 488.4537       171.2066 69.17478 28.70544 115.8440 25.85576 -46.66925      38.63319 
1 1 1 -24 3  39 o 91.91328 23.13934 302.3863       124.6299 274.3277       180.7552 327.8139       172.0718 83.91446 29.55823 91.51044 28.76518 -7.595985      41.24469 
1 1 1 -24 3  40 o 153.1840 15.01951 749.0521       133.2010 828.7805       186.0567 665.2230       190.7814 155.5989 20.91804 135.2731 24.96731 20.32587       32.57194 
1 1 1 -24 3  41 o 194.6244 12.73496 1183.378       144.5617 1075.590       194.2944 1317.043       216.3638 179.2953 18.75451 198.4305 18.81684 -19.13519      26.56699 
1 1 1 -24 3  42 o 61.85619 25.31455 109.3546       146.0086 20.74165       214.7796 185.4918       199.0869 60.68715 27.59566 72.27599 29.56714 -11.58883      40.44423 
1 1 1 -24 3  43 o 154.1870 17.41218 791.0592       154.7020 934.4214       217.1433 643.2874       220.4575 159.9625 23.87598 124.2218 30.49060 35.74077       38.72646 
1 1 1 -24 4  1  o 412.9888 12.62641 5041.634       305.4627 5756.978       493.0417 4596.008       389.1447 439.0925 19.19231 393.0420 16.92156 46.05051       25.58679 
1 1 1 -24 4  2  o 426.2242 12.06573 5366.147       301.3041 5426.562       484.5579 5328.063       384.7256 426.1662 19.43843 423.7067 15.50846 2.459534       24.86694 
1 1 1 -24 4  3  o 475.4959 12.25607 6679.293       341.4965 6053.843       529.8549 7123.707       446.6364 449.8423 20.13484 489.9717 15.56266 -40.12936      25.44815 
1 1 1 -24 4  4  o 558.7987 22.99023 9391.594       751.8320 0.000000       0.000000 9391.594       751.8320 ?        ?        558.7987 22.99023 0.000000       22.99023 
1 1 1 -24 4  5  o 224.7716 17.88318 1512.358       233.7997 1370.737       285.7194 1799.357       406.7400 212.3849 23.32176 241.4246 29.32745 -29.03966      37.47004 
1 1 1 -24 4  6  o 207.8813 16.64333 1291.458       201.2175 1345.898       285.8330 1237.975       283.3128 210.3158 23.57890 201.3154 24.49988 9.000397       34.00307 
1 1 1 -24 4  7  o 272.0945 12.44649 2191.363       198.0913 2153.607       259.3064 2244.277       306.9745 268.7835 16.52974 273.6203 19.25239 -4.836792      25.37492 
1 1 1 -24 4  8  o 234.9563 13.54446 1638.218       185.8467 1671.930       246.6150 1593.910       282.7235 236.3305 17.92672 229.7777 21.21949 6.552826       27.77830 
1 1 1 -24 4  9  o 495.9080 10.85854 7252.289       315.8078 7019.112       434.1653 7514.282       460.2114 486.3139 15.24139 503.0414 15.61815 -16.72745      21.82261 
1 1 1 -24 4  10 o 260.3827 12.45957 2007.559       189.7160 1910.289       253.7925 2130.751       285.6158 252.8643 17.21626 266.7877 18.36640 -13.92343      25.17388 
1 1 1 -24 4  11 o 154.2803 17.99791 718.0649       159.7930 668.3818       209.6814 786.8892       246.7890 146.8207 25.26222 158.8918 27.47731 -12.07109      37.32536 
1 1 1 -24 4  12 o 244.4254 12.73887 1770.431       181.9812 1642.244       245.0912 1927.937       271.6779 234.1567 17.98490 253.6985 18.38409 -19.54181      25.71831 
1 1 1 -24 4  13 o 69.70496 30.38906 -26.59422      233.5871 -932.9575      495.6768 232.1467       264.8379 70.33405 34.56932 95.47195 35.47318 -25.13789      49.53165 
1 1 1 -24 4  14 f 265.3573 12.46003 2084.910       193.3687 2175.120       265.2766 1982.634       282.4609 269.9915 16.83703 257.1491 18.86055 12.84238       25.28252 
1 1 1 -24 4  15 o 612.1578 11.93975 11065.30       428.6561 10409.72       585.3720 11823.32       629.4474 591.4699 16.89250 630.2993 17.04358 -38.82935      23.99667 
1 1 1 -24 4  16 o 375.9155 13.98936 4189.553       307.8791 3724.996       614.6343 4345.162       355.7253 347.3690 30.47853 382.2368 15.90308 -34.86777      34.37803 
1 1 1 -24 4  17 o 386.7838 13.56449 4433.213       307.2200 3968.743       392.9589 5163.460       492.7234 364.3051 18.45219 414.8272 20.31460 -50.52216      27.44388 
1 1 1 -24 4  18 o 503.5175 12.11195 7492.185       357.6672 6605.383       540.0419 8185.108       477.3715 469.4493 19.65850 524.7673 15.52806 -55.31805      25.05149 
1 1 1 -24 4  19 o 241.6046 11.94623 1729.485       168.7477 1522.900       218.8828 2032.187       264.9533 225.5585 16.66401 260.4899 17.44369 -34.93146      24.12409 
1 1 1 -24 4  20 o 121.2419 20.29894 452.6808       139.2388 430.2182       172.6741 494.4391       235.4334 116.6725 25.90991 123.7926 32.14652 -7.120140      41.28828 
1 1 1 -24 4  21 o 216.6432 12.79608 1395.371       161.8578 1328.060       214.1695 1485.018       247.1625 210.0695 17.54382 221.6709 19.20097 -11.60138      26.00890 
1 1 1 -24 4  22 o 75.82317 25.54908 167.5401       134.5280 -7.195356      174.3383 424.7221       211.5060 61.17352 26.46417 114.5736 30.81139 -53.40009      40.61642 
1 1 1 -24 4  23 f 161.6560 14.53290 784.5599       136.3136 886.8742       179.1895 644.0206       210.0116 170.8918 18.15646 142.6399 26.06468 28.25194       31.76514 
1 1 1 -24 4  24 o 187.5124 13.20678 1050.599       144.3081 1000.721       192.7769 1114.174       217.6429 181.4132 18.37207 191.0171 19.71043 -9.603943      26.94502 
1 1 1 -24 4  25 o 52.50407 22.53175 1.367126       124.4285 237.4767       165.5858 -304.8909      188.5862 87.53020 28.29712 45.79301 22.24797 41.73719       35.99583 
1 1 1 -24 4  26 o 162.4022 14.66971 794.6914       138.2168 880.1514       189.7790 698.1566       201.7014 169.3312 19.46352 148.8641 23.91255 20.46715       30.83243 
1 1 1 -24 4  27 o 219.4655 11.68628 1435.870       149.8733 1421.975       204.0360 1452.151       220.8691 216.7940 16.16390 218.5786 17.37248 -1.784668      23.72919 
1 1 1 -24 4  28 o 418.0401 10.19755 5185.103       250.0140 5163.322       355.0609 5206.522       352.1040 414.3684 14.63349 416.2318 14.44588 -1.863342      20.56265 
1 1 1 -24 4  29 o 154.8566 14.33511 727.8088       128.7136 598.6401       170.5840 898.5724       196.1360 137.2231 21.93461 169.6101 20.10842 -32.38704      29.75694 
1 1 1 -24 4  30 o 143.9607 14.54010 633.0947       121.0806 583.7020       167.1841 687.5810       175.5929 134.8736 21.88520 147.0953 20.94550 -12.22169      30.29317 
1 1 1 -24 4  31 o 90.37276 21.98248 269.1169       115.3776 331.8408       162.0691 204.6615       164.2907 98.39245 27.18461 80.09972 28.18279 18.29272       39.15702 
1 1 1 -24 4  32 o 116.6246 17.24478 429.1805       114.3985 443.1812       159.6072 414.3892       164.0522 114.7503 24.46416 110.0889 25.85286 4.661362       35.59305 
1 1 1 -24 4  33 o 91.34873 21.60208 278.0223       113.9005 297.8092       157.2002 256.1540       165.2612 92.25948 27.20255 86.02843 28.30020 6.231041       39.25404 
1 1 1 -24 4  34 o 100.1848 20.10525 330.3267       114.0197 233.6360       161.6901 425.9674       160.8098 82.31429 28.00795 110.9374 25.28137 -28.62315      37.73053 
1 1 1 -24 4  35 f 66.22877 23.41582 139.1184       113.5186 12.17918       162.4306 260.3134       158.7129 57.22021 25.13324 85.32094 27.71324 -28.10073      37.41261 
1 1 1 -24 4  36 o 147.3507 15.06938 682.1539       128.3942 655.8875       178.9877 709.9971       184.2816 138.8870 22.76188 144.8824 22.41051 -5.995392      31.94267 
1 1 1 -24 4  37 o 194.1937 12.42531 1160.372       140.7694 1252.272       206.5096 1080.606       192.3951 196.7412 18.10030 182.5747 18.21078 14.16656       25.67593 
1 1 1 -24 4  38 o 260.6668 10.90610 2071.419       166.3585 2178.122       250.7123 1987.483       222.3635 261.0799 16.45762 250.8963 15.18295 10.18367       22.39141 
1 1 1 -24 4  39 o 103.3207 21.73446 372.4205       127.5199 305.3450       178.4263 442.4536       182.3174 87.91380 29.42192 106.6988 28.56806 -18.78500      41.00955 
1 1 1 -24 4  40 o 56.94342 23.19551 80.10662       121.8899 71.71507       166.1530 89.88527       179.3604 60.68591 26.03980 63.50017 27.14687 -2.814259      37.61680 
1 1 1 -24 4  41 o 142.2709 16.72063 662.9806       136.8542 636.2944       190.6717 691.3359       196.5440 130.5519 25.81807 136.6115 25.46809 -6.059570      36.26564 
1 1 1 -24 4  42 o 136.1853 19.88675 636.2421       154.1503 775.7598       241.8130 540.7323       200.0732 137.5302 30.75254 115.2588 29.48290 22.27142       42.60235 
1 1 1 -24 4  43 o 58.14240 24.52061 80.41831       142.9766 78.33450       204.3619 82.41621       200.1042 63.12813 27.93993 63.10897 27.80150 0.1916122E-01  39.41527 
1 1 1 -24 5  1  o 301.2665 18.54130 2712.486       326.0112 0.000000       0.000000 2712.486       326.0112 ?        ?        301.2665 18.54130 0.000000       18.54130 
1 1 1 -24 5  2  o 466.4754 12.35150 6429.421       337.6112 6718.811       551.3590 6255.830       427.0285 474.0446 19.87602 458.9961 15.88739 15.04843       25.44534 
1 1 1 -24 5  3  o 337.8964 12.52675 3376.549       247.8108 3223.569       362.3688 3510.947       339.6483 328.3718 18.89610 343.3817 16.91768 -15.00992      25.36278 
1 1 1 -24 5  4  o 559.2900 22.97905 9410.548       752.1313 0.000000       0.000000 9410.548       752.1313 ?        ?        559.2900 22.97905 0.000000       22.97905 
1 1 1 -24 5  5  o 172.5137 18.82524 897.0533       187.3777 812.2054       259.8857 988.9136       270.4118 161.2624 28.52211 178.9795 26.56647 -17.71712      38.97805 
1 1 1 -24 5  6  o 243.0671 14.21391 1754.761       201.7396 1552.127       286.6100 1953.739       284.0134 226.5592 21.84083 255.2585 19.11050 -28.69933      29.02125 
1 1 1 -24 5  7  o 175.3814 18.05565 925.0704       183.0646 1023.114       252.7313 816.8474       265.5274 182.8310 24.16074 161.4959 29.10522 21.33508       37.82664 
1 1 1 -24 5  8  o 274.2240 12.06149 2224.626       193.5055 2326.099       258.0638 2094.291       292.4706 279.5535 15.80462 264.3315 18.99273 15.22198       24.70850 
1 1 1 -24 5  9  o 47.84608 22.43736 -156.3331      158.8720 -200.3559      202.5289 -85.90755      256.1612 53.77327 25.25380 69.18495 30.90995 -15.41168      39.91465 
1 1 1 -24 5  10 o 53.74659 23.89685 -49.86097      151.2051 84.12711       188.7881 -289.5993      252.5284 72.46208 29.09972 57.99961 27.52596 14.46247       40.05586 
1 1 1 -24 5  11 o 409.1972 10.56994 4939.905       253.4499 5225.028       360.7203 4661.902       356.1872 419.6812 14.67809 396.1743 15.35907 23.50693       21.24494 
1 1 1 -24 5  12 o 50.24765 23.03922 -102.9989      153.7974 3.701625       195.2747 -277.3157      249.5929 66.07321 28.28810 58.06523 27.50090 8.007984       39.45271 
1 1 1 -24 5  13 o 384.9409 12.01347 4379.846       270.8825 4856.504       423.5324 4049.892       352.3789 403.4326 17.94541 368.8996 16.32783 34.53302       24.26182 
1 1 1 -24 5  14 o 146.2778 20.04326 650.8184       167.4310 840.9816       217.2801 372.8428       262.7000 165.7887 22.96252 110.1876 35.64357 55.60108       42.39978 
1 1 1 -24 5  15 o 564.3365 11.51467 9399.494       381.1010 8970.793       524.3255 9879.629       554.8885 549.3145 16.29332 576.4252 16.43068 -27.11072      23.13957 
1 1 1 -24 5  16 o 444.0360 10.83354 5815.602       282.1235 5510.057       380.4847 6188.743       420.4711 430.7837 15.08336 456.3267 15.73476 -25.54303      21.79657 
1 1 1 -24 5  17 o 380.4576 10.89738 4273.858       242.9020 4200.620       331.3297 4358.958       357.1524 376.0120 15.05522 382.7425 15.94589 -6.730499      21.93014 
1 1 1 -24 5  18 o 511.6973 12.18091 7739.223       365.5471 7302.947       566.0270 8051.370       478.7803 493.6125 19.59133 520.3248 15.70756 -26.71231      25.11071 
1 1 1 -24 5  19 o 217.2738 12.64345 1401.561       160.4143 1352.485       206.2841 1476.638       255.1472 212.4517 16.68990 221.0820 19.89070 -8.630356      25.96522 
1 1 1 -24 5  20 o 63.94036 25.52082 68.95580       144.2957 10.51897       185.3296 158.9118       229.9411 64.72562 27.63078 84.41085 32.65531 -19.68523      42.77650 
1 1 1 -24 5  21 f 218.0703 12.68321 1413.732       161.5094 1291.441       206.9924 1604.060       258.2306 207.1987 17.18856 230.3534 19.29151 -23.15469      25.83813 
1 1 1 -24 5  22 o 246.2969 11.23491 1798.594       161.8578 1879.832       212.4493 1686.206       249.8827 250.9043 14.49942 236.3655 18.16533 14.53874       23.24246 
1 1 1 -24 5  23 o 63.00976 24.26188 85.85673       126.4973 -5.302077      165.4355 214.1791       196.2820 59.65741 25.79391 86.67509 30.77643 -27.01768      40.15613 
1 1 1 -24 5  24 o 170.6148 13.89043 872.6109       137.7883 711.8414       183.2531 1081.729       208.9996 151.7359 21.16805 188.3432 19.18876 -36.60736      28.57087 
1 1 1 -24 5  25 o 211.1284 11.98638 1327.603       147.8079 1299.897       198.6249 1361.984       221.2673 207.4996 16.45640 211.8476 17.97880 -4.348068      24.37315 
1 1 1 -24 5  26 o 174.6655 13.73610 915.7169       139.5772 811.8639       187.8344 1043.771       208.5748 162.2275 20.17723 184.4601 19.57875 -22.23260      28.11491 
1 1 1 -24 5  27 o 385.6717 9.979012 4409.692       225.5230 4750.431       329.1938 4108.339       309.5841 398.1519 14.12019 370.1379 14.28832 28.01398       20.08820 
1 1 1 -24 5  28 o 299.3202 10.31906 2662.751       180.8741 2471.553       242.8635 2900.885       271.0389 286.4970 14.50128 310.1920 14.94273 -23.69507      20.82239 
1 1 1 -24 5  29 o 196.3923 11.96684 1156.997       137.1792 1198.377       185.5887 1107.161       203.6712 198.1111 16.11219 189.1378 18.60161 8.973251       24.60940 
1 1 1 -24 5  30 o 191.6713 12.22453 1106.746       136.7006 1032.560       184.3325 1197.407       203.7739 182.6318 17.42057 196.5061 17.87711 -13.87434      24.96132 
1 1 1 -24 5  31 o 258.5977 10.26963 2001.064       155.4410 1964.110       220.1695 2037.790       219.4856 253.4299 14.87865 258.3891 14.54245 -4.959213      20.80522 
1 1 1 -24 5  32 o 86.70656 22.46371 251.0696       115.1435 192.7761       165.1266 306.2393       160.6411 77.93684 28.16250 93.86370 27.45097 -15.92686      39.32787 
1 1 1 -24 5  33 o 63.30251 23.37403 115.1081       114.6633 109.8927       155.6196 121.3025       169.5973 66.74114 26.54790 69.37322 27.67506 -2.632080      38.34971 
1 1 1 -24 5  34 o 68.36893 23.68847 149.3897       115.8125 157.2132       155.3185 139.5932       173.8031 71.87440 27.07133 71.19179 28.13971 0.6826096      39.04741 
1 1 1 -24 5  35 o 48.84293 21.52854 -5.263012      120.1436 -34.88381      163.2990 29.69106       177.3920 53.60341 24.25015 60.54964 26.43853 -6.946232      35.87570 
1 1 1 -24 5  36 o 91.34464 22.39417 288.0999       119.0285 262.7909       164.4930 315.9174       172.4525 84.80533 28.24706 91.99004 28.77998 -7.184715      40.32597 
1 1 1 -24 5  37 o 93.43668 21.87024 301.6869       117.7140 411.9061       161.1999 175.7672       172.2991 106.4584 26.03780 73.25111 28.28642 33.20727       38.44592 
1 1 1 -24 5  38 o 228.6009 11.19022 1597.729       149.5703 1529.880       217.0822 1659.049       206.3728 217.8311 17.13010 228.7695 15.47271 -10.93832      23.08344 
1 1 1 -24 5  39 o 128.0374 17.94862 540.8982       131.0811 605.1319       177.9953 464.7827       193.7598 129.9796 24.24130 108.1746 29.65970 21.80497       38.30585 
1 1 1 -24 5  40 o 142.4818 16.17112 657.4951       132.7422 714.8273       179.2456 587.8652       197.5361 143.2035 22.04887 123.7650 27.88525 19.43849       35.54911 
1 1 1 -24 5  41 o 115.5480 20.41962 461.7935       133.3163 203.4380       181.5816 763.9137       196.3598 74.01829 28.91081 145.4679 23.84147 -71.44958      37.47333 
1 1 1 -24 5  42 o 215.5297 12.99352 1458.240       163.4793 1518.888       239.7501 1405.537       223.4942 211.5006 19.54959 204.3747 18.85869 7.125931       27.16315 
1 1 1 -24 6  1  o 385.1142 25.00434 4490.694       561.6957 0.000000       0.000000 4490.694       561.6957 ?        ?        385.1142 25.00434 0.000000       25.00434 
1 1 1 -24 6  2  o 532.8020 12.85716 8387.745       401.7551 8514.873       650.9026 8309.507       510.6291 533.1674 20.85645 528.7801 16.48583 4.387329       26.58522 
1 1 1 -24 6  3  o 975.9902 23.81702 28666.93       1363.275 0.000000       0.000000 28666.93       1363.275 ?        ?        975.9902 23.81702 0.000000       23.81702 
1 1 1 -24 6  4  o 475.6067 22.10042 6797.675       614.7663 0.000000       0.000000 6797.675       614.7663 ?        ?        475.6067 22.10042 0.000000       22.10042 
1 1 1 -24 6  5  o 448.6124 22.10692 6050.363       579.8430 0.000000       0.000000 6050.363       579.8430 ?        ?        448.6124 22.10692 0.000000       22.10692 
1 1 1 -24 6  6  o 444.7511 11.76076 5842.250       306.4938 5438.038       467.8213 6146.216       405.6848 426.7206 18.73899 455.0887 15.22137 -28.36807      24.14208 
1 1 1 -24 6  7  o 78.38331 28.10431 162.1525       164.0721 126.7377       218.4506 207.9845       248.5109 80.53959 31.63558 91.72739 34.30701 -11.18780      46.66670 
1 1 1 -24 6  8  o 227.4026 13.73967 1535.533       182.3861 1573.104       240.6138 1484.791       279.6256 229.1564 18.04910 221.5134 21.80661 7.643036       28.30721 
1 1 1 -24 6  9  o 181.6894 15.92381 987.0615       167.9650 1010.341       212.2821 948.0873       274.6712 182.8019 20.13381 174.6918 27.73541 8.110092       34.27278 
1 1 1 -24 6  10 o 102.1210 25.96683 327.6422       155.8444 304.0514       196.2997 367.8612       256.3085 99.32979 30.64601 109.4027 35.19125 -10.07294      46.66478 
1 1 1 -24 6  11 o 74.50716 27.37555 138.3744       156.9587 52.17896       203.0550 266.3331       247.4039 71.46227 29.61048 97.63520 34.56387 -26.17293      45.51310 
1 1 1 -24 6  12 o 64.56033 26.36349 52.45321       157.9319 -97.45281      201.4798 291.3440       254.3441 59.63704 26.96224 100.7886 35.09459 -41.15157      44.25599 
1 1 1 -24 6  13 o 96.63776 26.61422 292.2137       155.6194 347.5714       197.3708 201.2493       253.0054 105.2188 30.32798 91.42525 34.52565 13.79353       45.95440 
1 1 1 -24 6  14 o 233.6963 13.84617 1621.924       188.9214 1654.241       251.9502 1580.416       285.5420 234.8925 18.43687 228.6416 21.54845 6.250931       28.35938 
1 1 1 -24 6  15 o 380.1479 11.86386 4271.029       264.1783 4152.585       392.1774 4369.421       357.4428 372.9478 17.98315 383.3094 15.93510 -10.36166      24.02751 
1 1 1 -24 6  16 o 313.1699 11.59365 2899.321       212.5692 3011.653       287.6490 2764.168       315.5166 318.1991 15.46020 304.1180 17.76746 14.08109       23.55207 
1 1 1 -24 6  17 o 336.6181 11.80890 3350.922       232.7685 2889.599       322.3833 3853.337       336.4350 310.8847 17.75548 359.7693 15.98499 -48.88464      23.89094 
1 1 1 -24 6  18 o 395.9402 11.38718 4633.478       264.1466 4094.834       376.6138 5154.998       370.5788 370.2405 17.39312 416.3833 15.20079 -46.14279      23.09945 
1 1 1 -24 6  19 o 344.3105 10.45207 3501.759       210.8143 3479.771       288.5311 3526.940       308.7697 342.1105 14.41285 344.1140 15.33821 -2.003540      21.04734 
1 1 1 -24 6  20 o 113.9982 22.62172 405.8764       145.9032 428.8123       186.0802 369.2704       235.0813 115.9873 27.73132 108.0735 33.56959 7.913780       43.54243 
1 1 1 -24 6  21 f 65.36333 24.92651 95.44237       132.6599 183.4426       162.4426 -80.76602      229.8643 80.45902 28.04461 64.90916 29.11889 15.54986       40.42783 
1 1 1 -24 6  22 o 142.6843 16.82803 617.2911       138.1129 518.5376       174.5894 782.4404       225.7771 128.4144 24.06618 158.0079 25.21080 -29.59354      34.85349 
1 1 1 -24 6  23 o 191.8384 13.43630 1099.623       150.2142 1063.042       192.0319 1157.296       241.1210 187.3349 17.68791 194.0885 21.54543 -6.753555      27.87593 
1 1 1 -24 6  24 o 138.7726 16.94810 586.1830       135.0768 524.3788       178.2043 669.6454       207.0878 128.6584 24.51202 145.5350 25.17324 -16.87663      35.13589 
1 1 1 -24 6  25 o 44.13600 20.51554 -105.0381      128.1352 -54.38130      167.0819 -177.3753      199.6603 55.73075 24.92667 53.74158 25.18642 1.989166       35.43579 
1 1 1 -24 6  26 o 432.3155 10.25183 5535.911       259.9277 5375.509       366.2612 5698.668       368.9400 423.4940 14.76925 436.2592 14.43974 -12.76520      20.65519 
1 1 1 -24 6  27 o 304.3156 10.41316 2750.161       185.5739 2710.626       257.4867 2792.892       267.6929 300.2726 14.66575 304.6174 15.03055 -4.344788      21.00003 
1 1 1 -24 6  28 o 243.4373 11.00834 1766.484       156.7596 1818.381       213.8549 1706.215       230.4581 245.3389 14.93359 236.7543 16.70478 8.584595       22.40673 
1 1 1 -24 6  29 o 194.7879 12.16505 1139.960       138.2780 1025.192       184.4478 1287.236       208.9444 182.3742 17.45772 204.4414 17.59763 -22.06714      24.78807 
1 1 1 -24 6  30 f 241.7265 10.63170 1748.156       150.3536 1732.256       209.7615 1764.958       215.6239 238.2464 15.08989 240.3114 15.38004 -2.065033      21.54647 
1 1 1 -24 6  31 o 246.9213 11.10425 1831.799       160.3930 1681.405       235.5212 1961.875       219.0350 232.5356 17.39598 253.2212 14.81371 -20.68558      22.84877 
1 1 1 -24 6  32 o 162.4444 13.86358 808.8387       130.8170 905.6353       188.9930 719.8053       181.2559 168.5590 19.47582 148.8906 21.36909 19.66846       28.91272 
1 1 1 -24 6  33 o 146.8082 14.33380 665.4521       121.8430 651.7443       170.3994 679.7932       174.2906 141.2485 21.22578 144.2986 21.22888 -3.050064      30.01998 
1 1 1 -24 6  34 o 104.2882 20.49820 359.7058       120.9001 517.1023       171.1642 202.9906       170.7935 122.7522 24.63294 78.26536 28.58886 44.48685       37.73731 
1 1 1 -24 6  35 o 73.86435 23.55286 186.0983       114.9967 232.2073       154.1317 128.2046       172.7090 81.03657 27.34738 69.04783 27.79656 11.98874       38.99395 
1 1 1 -24 6  36 f 182.1974 12.43162 1019.739       132.0416 980.4552       184.5519 1060.939       188.9974 174.1138 18.34874 181.4869 17.99325 -7.373047      25.69890 
1 1 1 -24 6  37 o 157.5092 14.24308 777.0561       130.1507 778.3459       174.9897 775.4593       194.7067 153.1580 19.95559 150.3426 22.79665 2.815399       30.29708 
1 1 1 -24 6  38 o 177.2933 13.48974 981.1700       139.2111 755.5938       189.8465 1243.540       204.7450 147.7523 22.62817 195.1638 18.09408 -47.41156      28.97292 
1 1 1 -24 6  39 o 76.42467 24.01791 211.8971       119.9690 186.1951       158.3929 246.4826       183.7381 72.56082 27.33619 80.08225 29.58506 -7.521431      40.28080 
1 1 1 -24 6  40 o 175.1504 13.33619 962.4023       135.9616 964.1323       187.7064 960.4928       197.2022 169.6053 19.20852 167.9427 20.44227 1.662552       28.05091 
1 1 1 -24 6  41 o 127.2074 18.25526 542.5139       132.2944 369.4126       182.2207 735.4493       192.3773 94.50407 29.58640 142.5627 23.85083 -48.05864      38.00286 
1 1 1 -24 6  42 o 138.0236 18.12050 638.3264       143.1417 657.1143       189.2847 613.2301       218.7666 132.8204 25.22176 121.4702 30.69959 11.35022       39.73162 
1 1 1 -24 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 7  2  o 569.4682 13.09255 9585.006       437.2645 9890.206       724.4587 9410.104       548.4268 574.2357 21.54984 562.6525 16.63816 11.58325       27.22543 
1 1 1 -24 7  3  o 743.1314 18.83586 16471.32       820.2596 15214.57       1065.778 18297.38       1284.698 709.0953 25.67017 775.1387 28.30747 -66.04346      38.21349 
1 1 1 -24 7  4  o 174.2510 17.84109 912.5991       179.7541 784.5585       238.1168 1082.239       274.0818 159.0692 26.45296 187.7050 25.56086 -28.63580      36.78473 
1 1 1 -24 7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 7  6  f 105.4130 27.44751 349.7920       171.3276 257.0154       222.0759 486.1981       269.2769 94.87924 32.80628 123.4427 35.37567 -28.56351      48.24614 
1 1 1 -24 7  7  o 111.1329 26.66830 388.7888       171.5943 381.4149       220.4152 400.1335       273.3969 110.0940 32.14322 113.6761 36.32344 -3.582024      48.50339 
1 1 1 -24 7  8  o 83.48387 27.90746 202.2461       160.5368 223.1360       206.4524 170.2961       255.3217 89.72452 31.59080 88.72897 34.38733 0.9955521      46.69547 
1 1 1 -24 7  9  f 178.8059 16.30975 957.0761       169.1520 998.7802       215.1221 889.5276       273.7813 181.6313 20.55589 168.7887 28.68263 12.84259       35.28793 
1 1 1 -24 7  10 o 353.8544 10.87792 3696.124       225.4783 3658.431       306.2823 3740.724       333.1596 351.0274 14.91148 354.6120 16.06117 -3.584625      21.91606 
1 1 1 -24 7  11 o 114.1200 24.50492 407.0905       159.1082 310.7380       202.8553 561.1309       256.4909 100.4481 31.18109 132.3637 33.12372 -31.91556      45.49111 
1 1 1 -24 7  12 o 63.48639 26.23823 40.58630       158.8774 184.1734       199.1566 -210.7380      263.4839 84.52081 30.87192 63.39854 29.45207 21.12226       42.66732 
1 1 1 -24 7  13 o 58.48703 25.15143 -5.093978      155.6511 160.1206       193.6052 -307.0537      261.7384 81.20126 30.29879 58.71245 27.91001 22.48881       41.19448 
1 1 1 -24 7  14 o 243.8761 13.47670 1764.692       192.0045 1782.187       255.8951 1742.152       290.4454 243.9754 18.01102 240.3804 20.80694 3.594955       27.51955 
1 1 1 -24 7  15 f 431.1381 10.98586 5486.951       277.5538 5232.529       378.7355 5782.107       407.9291 419.6733 15.41390 441.0476 15.79613 -21.37430      22.07048 
1 1 1 -24 7  16 o 320.9556 11.20684 3043.720       210.6260 2882.471       277.7574 3261.911       323.0979 311.3189 15.25931 330.7692 16.70966 -19.45026      22.62873 
1 1 1 -24 7  17 o 278.9392 13.82208 2310.304       225.4128 2109.842       278.5943 2690.312       383.5767 265.3716 18.00724 298.2885 22.08290 -32.91690      28.49412 
1 1 1 -24 7  18 o 318.8115 15.85716 3029.903       295.5594 0.000000       0.000000 3029.903       295.5594 ?        ?        318.8115 15.85716 0.000000       15.85716 
1 1 1 -24 7  19 o 75.41733 26.18858 159.0710       141.5846 217.6093       180.0668 64.26704       229.1538 86.57185 29.55474 75.72211 31.42284 10.84974       43.13789 
1 1 1 -24 7  20 o 124.0679 21.17715 476.1092       148.5648 571.3156       186.9971 313.1689       244.6337 135.1499 24.49388 101.7470 34.45265 33.40281       42.27216 
1 1 1 -24 7  21 o 118.0422 20.75460 432.1068       138.4395 366.9262       176.8887 535.1426       222.4000 107.0210 27.90091 128.7402 30.01181 -21.71927      40.97767 
1 1 1 -24 7  22 o 255.9601 11.44634 1943.949       171.3915 2036.745       225.4174 1816.797       263.8670 261.0001 14.78687 245.1192 18.49149 15.88094       23.67671 
1 1 1 -24 7  23 o 137.4563 17.97471 577.2418       141.4346 444.1739       179.5304 794.9376       229.6289 117.6355 26.64306 158.8605 25.51009 -41.22495      36.88654 
1 1 1 -24 7  24 o 373.7298 9.999166 4133.632       218.9685 3868.004       296.3627 4452.964       324.9433 359.8983 14.06794 386.0378 14.37761 -26.13950      20.11523 
1 1 1 -24 7  25 o 180.2391 13.72432 974.1528       143.9835 1081.988       191.9574 835.4398       217.7125 188.7316 17.54329 163.3963 23.38506 25.33522       29.23402 
1 1 1 -24 7  26 o 123.1315 18.99014 469.9298       132.7308 455.8898       169.8139 491.9765       212.7954 119.0620 25.11084 121.9649 29.96772 -2.902916      39.09755 
1 1 1 -24 7  27 o 254.9698 11.01654 1935.318       164.3458 1957.664       223.7599 1909.144       242.1704 254.8067 15.04032 250.8959 16.55044 3.910828       22.36354 
1 1 1 -24 7  28 o 427.6193 10.06036 5430.366       252.3024 5669.830       363.7445 5208.331       350.2566 433.9458 14.31215 415.8378 14.38355 18.10800       20.29099 
1 1 1 -24 7  29 f 222.6771 11.18012 1484.320       145.5395 1477.136       199.7124 1492.455       212.5333 220.0469 15.57597 220.6475 16.54442 -0.6006470     22.72287 
1 1 1 -24 7  30 o 152.0576 14.54963 707.9097       128.1702 566.4968       175.4581 869.7070       187.6786 131.4334 23.63103 165.9514 19.66514 -34.51805      30.74318 
1 1 1 -24 7  31 o 201.2735 12.04411 1224.329       141.5209 1145.475       203.1108 1298.734       197.2974 190.9670 18.36131 204.6568 16.57968 -13.68985      24.73911 
1 1 1 -24 7  32 o 209.8314 11.08193 1327.147       135.8919 1688.165       196.3423 995.1968       188.2721 234.6374 14.33653 177.4192 18.35896 57.21820       23.29351 
1 1 1 -24 7  33 o 123.2080 16.40804 478.1994       115.6175 619.6917       158.1403 315.7226       169.4618 138.2955 20.08453 94.14484 28.36215 44.15068       34.75341 
1 1 1 -24 7  34 o 70.51360 23.68789 163.7433       115.6457 16.16849       154.2150 353.3658       174.8097 56.58357 24.67988 98.50668 28.58676 -41.92310      37.76638 
1 1 1 -24 7  35 o 53.62833 22.10565 52.24551       112.3733 -1.618008      154.5800 112.6131       163.6469 54.68585 24.24666 66.50652 26.95561 -11.82067      36.25611 
1 1 1 -24 7  36 o 47.17256 20.67151 1.121164       109.3012 -33.57360      148.6383 41.97126       161.2855 50.98444 23.09365 59.02020 25.49324 -8.035755      34.39799 
1 1 1 -24 7  37 o 41.29567 19.32100 -82.55741      116.6672 -291.2416      157.0809 174.1912       174.2339 38.53101 19.03714 72.91831 28.36582 -34.38731      34.16186 
1 1 1 -24 7  38 o 148.1311 15.53369 700.4946       132.9446 708.8123       184.6491 691.5420       191.5658 142.7364 22.82652 139.5649 24.28564 3.171448       33.32930 
1 1 1 -24 7  39 o 184.3950 12.99424 1060.837       139.6242 834.0029       188.1239 1339.032       208.3364 156.0627 21.09346 202.1925 17.74901 -46.12988      27.56740 
1 1 1 -24 7  40 o 123.7275 19.41180 518.3423       136.2275 324.3173       187.1893 736.8062       198.6287 88.88185 30.13700 142.4608 24.66655 -53.57899      38.94455 
1 1 1 -24 7  41 o 201.6732 12.96448 1275.502       152.5272 1240.244       208.3093 1316.255       223.9513 192.3257 18.70401 196.9076 19.65512 -4.581955      27.13234 
1 1 1 -24 7  42 o 39.85905 19.03354 -116.8776      124.5846 -136.0242      373.2732 -114.4773      132.1632 65.58176 31.72874 41.40453 19.72485 24.17723       37.36018 
1 1 1 -24 8  1  o 398.3980 11.90499 4688.925       277.8494 4779.949       428.5160 4622.897       364.9668 400.2495 18.30361 394.4713 15.80767 5.778259       24.18480 
1 1 1 -24 8  2  o 356.7167 12.27760 3761.868       256.4718 3805.456       384.3043 3726.866       344.3826 356.9832 18.41822 353.8540 16.64121 3.129211       24.82259 
1 1 1 -24 8  3  o 783.9380 19.51797 18342.31       897.3604 16875.73       1168.194 20453.38       1401.562 745.8032 26.75126 818.4943 29.24452 -72.69104      39.63423 
1 1 1 -24 8  4  o 793.4232 28.60506 19192.42       1328.883 0.000000       0.000000 19192.42       1328.883 ?        ?        793.4232 28.60506 0.000000       28.60506 
1 1 1 -24 8  5  o 251.5873 19.59043 1900.549       286.7800 0.000000       0.000000 1900.549       286.7800 ?        ?        251.5873 19.59043 0.000000       19.59043 
1 1 1 -24 8  6  o 168.3967 18.20080 853.9724       176.8995 618.9029       227.2253 1215.667       281.8577 140.2509 28.59556 199.3748 24.62813 -59.12392      37.73925 
1 1 1 -24 8  7  o 82.75604 28.13310 195.5190       163.1338 110.4256       201.2816 358.4180       278.4935 76.79905 30.30548 109.3484 36.75966 -32.54935      47.64132 
1 1 1 -24 8  8  o 173.9452 17.12461 907.9868       172.4334 904.9594       223.9335 912.3963       270.2636 172.1840 22.73029 171.2868 27.86035 0.8972015      35.95643 
1 1 1 -24 8  9  f 57.33195 25.11402 -30.09808      161.1940 23.25559       204.2645 -118.1714      262.4418 69.13685 29.24057 68.20361 30.80964 0.9332428      42.47640 
1 1 1 -24 8  10 o 595.7296 11.80254 10476.67       412.3586 10431.14       577.5597 10524.01       588.9330 592.2615 16.64423 594.7660 16.90090 -2.504456      23.72068 
1 1 1 -24 8  11 o 161.9956 17.64556 789.8326       164.9379 755.6851       207.9671 847.7275       270.7914 156.9296 23.30290 164.5375 29.12782 -7.607864      37.30222 
1 1 1 -24 8  12 o 135.0548 21.01783 558.2924       161.0609 671.7486       198.3063 338.4065       276.0711 147.6677 23.69968 107.0773 36.59397 40.59042       43.59809 
1 1 1 -24 8  13 o 287.5284 12.32420 2446.506       207.3392 2440.171       268.9512 2455.786       325.5266 286.2445 16.08558 286.1329 19.51531 0.1115417      25.29018 
1 1 1 -24 8  14 o 273.7337 12.26791 2217.860       196.4466 2271.800       258.4247 2144.024       302.3536 276.1512 16.02530 267.2618 19.42234 8.889435       25.18011 
1 1 1 -24 8  15 o 215.4942 13.98718 1380.770       175.8182 1368.802       224.0002 1399.975       283.7514 213.5808 18.05168 214.5600 22.90334 -0.9792480     29.16207 
1 1 1 -24 8  16 o 81.37139 26.87180 194.2592       148.9491 146.3748       181.9279 291.6164       259.4095 78.21577 29.33289 100.9156 35.42107 -22.69980      45.98989 
1 1 1 -24 8  17 o 347.4161 13.55829 3580.223       275.7216 5092.606       667.7521 3269.371       302.7339 407.1538 28.13750 331.3430 15.62275 75.81082       32.18369 
1 1 1 -24 8  18 o 328.2966 11.21624 3187.337       215.6384 2908.172       303.1904 3473.111       306.7584 311.9874 16.63029 341.4753 15.35675 -29.48795      22.63617 
1 1 1 -24 8  19 o 258.3428 11.74713 1977.763       177.5173 1772.327       227.6615 2296.395       283.5284 243.4147 16.03683 276.6906 17.56300 -33.27589      23.78316 
1 1 1 -24 8  20 o 112.2686 22.07499 393.6432       140.1653 343.0207       174.0343 487.1012       236.4676 103.7030 27.97562 122.4732 32.41889 -18.77016      42.82079 
1 1 1 -24 8  21 o 104.1525 25.41409 345.5191       153.8431 340.0291       166.5637 377.3991       401.3774 103.0883 27.17115 115.1834 43.48889 -12.09510      51.27919 
1 1 1 -24 8  22 o 74.01974 25.19605 158.8158       130.8555 149.1173       161.5535 177.3166       223.1303 75.57956 27.77272 84.85466 32.33516 -9.275101      42.62495 
1 1 1 -24 8  23 f 276.9115 10.89929 2274.001       176.6610 2044.858       228.4481 2614.876       278.6323 261.2600 14.97223 295.0382 16.16461 -33.77820      22.03321 
1 1 1 -24 8  24 o 141.7592 16.66768 611.1620       135.9277 535.7415       171.5577 738.3559       222.7914 130.4138 23.28478 152.5633 25.82003 -22.14951      34.76859 
1 1 1 -24 8  25 o 71.39293 24.56751 147.5136       124.4862 182.1949       161.1014 96.11688       196.1192 79.40079 27.91026 73.21174 29.56820 6.189056       40.66032 
1 1 1 -24 8  26 o 320.8934 10.36616 3056.042       194.8315 2856.045       261.8282 3304.179       291.6435 308.4359 14.51513 331.5195 15.03921 -23.08362      20.90136 
1 1 1 -24 8  27 o 243.9646 13.77239 1788.544       196.2544 1774.419       218.5025 1847.501       446.4088 242.2395 15.46086 235.0621 33.31393 7.177368       36.72678 
1 1 1 -24 8  28 o 91.27546 22.71216 270.5695       121.0895 297.3304       154.0787 227.3438       195.8232 94.77360 26.62613 86.04321 30.72045 8.730392       40.65337 
1 1 1 -24 8  29 o 132.0728 16.33290 539.3962       123.8175 585.4070       166.7658 482.8756       184.8333 135.1178 21.78549 119.8652 26.94934 15.25256       34.65363 
1 1 1 -24 8  30 o 164.2194 13.19309 819.6898       125.9954 742.7197       170.7182 911.7698       186.7245 153.1727 19.44150 170.1458 19.03842 -16.97308      27.21091 
1 1 1 -24 8  31 o 278.9310 10.45786 2332.751       170.7734 2255.936       257.6537 2392.936       228.0644 270.0605 16.34416 280.1533 13.92434 -10.09280      21.47135 
1 1 1 -24 8  32 o 228.7149 10.52039 1572.695       140.7383 1584.955       192.8645 1558.730       205.8361 227.0778 14.55865 224.3164 15.74626 2.761337       21.44526 
1 1 1 -24 8  33 o 92.00148 21.13112 282.2723       111.6115 437.8786       152.9926 105.2426       163.1849 113.5987 23.73036 66.70456 26.96026 46.89411       35.91637 
1 1 1 -24 8  34 o 57.99354 22.81064 82.64714       113.7076 7.400931       149.5335 185.8074       175.0864 55.00070 24.13794 75.99135 28.71588 -20.99065      37.51322 
1 1 1 -24 8  35 o 74.83503 23.56466 192.8005       115.4290 164.3746       156.8658 226.3680       170.4631 71.82215 27.17161 80.08666 28.65450 -8.264511      39.48894 
1 1 1 -24 8  36 f 169.4614 12.59428 885.1537       124.2736 872.5900       178.5452 896.9603       173.0808 163.3807 18.98686 166.5031 18.01097 -3.122406      26.17052 
1 1 1 -24 8  37 o 145.5280 14.60155 667.8654       122.9405 619.4452       172.4460 717.9118       175.3177 133.7886 22.79416 145.6863 21.13539 -11.89774      31.08502 
1 1 1 -24 8  38 o 74.62817 24.50527 199.8912       123.9334 365.5137       171.3605 18.24928       179.4564 97.11503 28.33811 58.28505 25.96690 38.82998       38.43604 
1 1 1 -24 8  39 f 174.8866 13.55133 960.0998       137.9081 1020.209       191.8705 895.8595       198.3540 174.9635 19.00352 161.2733 21.50708 13.69014       28.69997 
1 1 1 -24 8  40 o 65.75871 24.84669 145.3644       131.0752 67.74562       177.8020 237.7609       193.9908 61.12220 26.58195 78.18192 30.06039 -17.05972      40.12764 
1 1 1 -24 8  41 o 88.59174 24.45366 295.0858       131.2113 25.65616       399.1232 327.7330       138.9336 72.51214 34.46856 93.06934 24.94723 -20.55721      42.54934 
1 1 1 -24 8  42 o 116.0673 22.84743 487.5685       149.9848 960.5711       401.0480 410.6560       161.7198 124.9250 44.02615 102.4465 26.66268 22.47850       51.47039 
1 1 1 -24 9  1  o 289.5438 18.76796 2508.523       316.9827 0.000000       0.000000 2508.523       316.9827 ?        ?        289.5438 18.76796 0.000000       18.76796 
1 1 1 -24 9  2  o 332.7701 13.92193 3282.155       271.1027 3122.582       340.0141 3560.646       449.1827 323.4070 17.99755 343.7775 22.40097 -20.37045      28.73526 
1 1 1 -24 9  3  o 237.1031 16.35842 1676.822       226.0783 1777.437       263.1234 1393.058       441.8848 243.5669 18.55980 208.5833 37.50113 34.98363       41.84258 
1 1 1 -24 9  4  o 407.5013 16.02176 4935.659       382.1577 0.000000       0.000000 4935.659       382.1577 ?        ?        407.5013 16.02176 0.000000       16.02176 
1 1 1 -24 9  5  o 95.51469 27.71984 283.5416       164.3643 219.0199       205.7481 397.3454       273.2507 89.21362 31.52585 113.3960 36.32205 -24.18238      48.09544 
1 1 1 -24 9  6  o 189.5476 16.06555 1073.786       176.9123 1131.810       221.7615 972.2192       293.3985 193.7176 19.79748 176.4297 29.38870 17.28792       35.43496 
1 1 1 -24 9  7  o 226.2555 14.27882 1521.544       188.5043 1570.576       245.8117 1451.544       293.7076 228.8702 18.46990 218.5497 23.27224 10.32048       29.71084 
1 1 1 -24 9  8  o 112.5150 24.86049 396.2828       159.6708 317.6699       202.7357 524.7004       259.1169 101.3799 31.12027 127.9890 33.96247 -26.60909      46.06431 
1 1 1 -24 9  9  o 165.1574 18.26779 822.0070       173.9893 924.2353       222.3422 660.5207       279.4499 174.1682 22.27648 143.5423 33.76415 30.62587       40.45070 
1 1 1 -24 9  10 o 257.6091 13.14004 1967.061       197.8661 2223.197       264.9568 1644.109       297.5144 273.0583 16.62386 233.1288 22.02109 39.92947       27.59132 
1 1 1 -24 9  11 o 312.6730 11.59272 2889.221       212.2139 3101.805       281.9328 2611.331       322.3414 323.1786 14.91506 295.3806 18.70336 27.79803       23.92226 
1 1 1 -24 9  12 o 79.33504 27.85779 172.1861       160.4671 249.5353       194.1891 5.650776       284.9379 92.09226 30.69149 79.12510 34.02829 12.96716       45.82458 
1 1 1 -24 9  13 o 348.3366 11.34689 3584.234       231.4977 3683.624       305.9452 3451.112       354.0782 352.2315 14.84361 339.9835 17.82008 12.24796       23.19242 
1 1 1 -24 9  14 o 178.2834 16.53869 952.5518       170.9555 858.3508       212.6496 1124.684       287.4537 167.6998 22.16335 190.9414 26.37299 -23.24159      34.44922 
1 1 1 -24 9  15 o 368.3081 10.86459 4005.413       234.4230 3839.703       317.2952 4204.583       347.8571 359.4510 15.08481 375.9268 15.81314 -16.47583      21.85421 
1 1 1 -24 9  16 o 625.3545 14.21613 11592.29       521.3844 13690.42       1067.980 10935.75       597.4153 669.5438 27.25477 605.8592 16.82965 63.68463       32.03216 
1 1 1 -24 9  17 f 216.9567 13.14781 1398.828       166.5075 1506.153       216.6469 1243.941       260.2616 224.2976 16.58674 201.9865 22.34348 22.31113       27.82716 
1 1 1 -24 9  18 o 339.2829 19.04760 3459.495       377.4898 4032.059       625.4779 3131.463       473.4329 360.2015 29.87703 319.7009 25.46033 40.50061       39.25386 
1 1 1 -24 9  19 o 201.2538 13.81358 1207.645       162.0538 1210.873       208.1456 1202.677       258.2240 200.4141 17.89689 198.1407 22.62659 2.273468       28.84894 
1 1 1 -24 9  20 o 232.3704 12.05609 1603.588       163.7383 1757.763       209.6512 1362.476       262.1797 242.5527 14.80865 211.2044 21.46417 31.34824       26.07693 
1 1 1 -24 9  21 o 271.8426 10.94510 2189.946       174.1402 2176.460       224.7808 2210.190       275.4008 270.0251 14.24437 270.9415 17.42398 -0.9164124     22.50550 
1 1 1 -24 9  22 o 172.4049 15.02486 893.6322       150.4024 899.9861       193.0391 883.8167       239.9286 171.5939 19.52905 167.8607 25.14454 3.733231       31.83759 
1 1 1 -24 9  23 o 135.7708 18.47661 565.3444       143.3086 610.8442       183.4522 494.1071       229.5472 139.5640 23.22908 122.4400 31.71538 17.12403       39.31228 
1 1 1 -24 9  24 o 185.7042 14.15849 1035.001       153.0392 1056.774       201.9486 1005.629       234.5529 186.0795 18.76100 179.8518 22.74474 6.227722       29.48386 
1 1 1 -24 9  25 o 199.9636 13.09842 1196.874       152.7647 1256.268       197.2803 1107.922       241.4285 203.6294 16.66499 188.7937 22.23035 14.83565       27.78328 
1 1 1 -24 9  26 o 326.5928 10.25835 3166.129       196.2437 3115.018       272.2087 3221.443       283.1773 322.0320 14.44974 327.3127 14.79001 -5.280792      20.67703 
1 1 1 -24 9  27 o 280.4481 10.45431 2339.820       171.6476 2457.194       238.3716 2213.415       247.3712 285.6591 14.27361 270.3569 15.66844 15.30215       21.19519 
1 1 1 -24 9  28 o 136.1696 16.05048 570.2653       125.7199 665.5311       162.7080 429.1270       198.0446 145.7086 19.53175 112.1538 29.65952 33.55483       35.51305 
1 1 1 -24 9  29 o 279.3645 12.87093 2354.439       210.3115 3401.593       538.6349 2166.082       228.4447 318.5940 29.15014 266.8290 14.65441 51.76498       32.62640 
1 1 1 -24 9  30 o 125.3273 16.43717 490.0835       117.9064 383.4218       161.6182 611.4404       172.3925 106.0362 26.15416 137.0960 22.19935 -31.05984      34.30527 
1 1 1 -24 9  31 o 135.4599 15.85227 571.3977       123.5578 728.8665       173.6261 409.8332       175.8696 150.6745 20.15320 108.3098 27.60853 42.36472       34.18161 
1 1 1 -24 9  32 o 39.99492 18.70776 -88.48818      109.2657 -178.8732      145.7256 27.58277       165.1389 42.12820 20.24100 59.68982 25.78927 -17.56162      32.78390 
1 1 1 -24 9  33 o 134.1466 15.74432 564.4141       121.5118 505.3987       165.9548 632.6182       178.4073 121.8123 24.08374 137.4660 22.93694 -15.65375      33.25853 
1 1 1 -24 9  34 o 165.5105 12.90200 842.2799       124.2484 773.3710       172.9803 915.7232       178.5810 154.0642 19.58667 168.7865 18.33465 -14.72227      26.82903 
1 1 1 -24 9  35 o 116.2827 18.12359 439.8327       119.5699 375.1654       167.9549 506.2899       170.2635 100.9636 27.58651 119.9375 25.01647 -18.97389      37.24028 
1 1 1 -24 9  36 f 139.2448 15.04774 612.3306       120.9358 736.5615       176.6316 502.7000       165.9279 148.2673 20.89138 119.3028 24.53443 28.96444       32.22403 
1 1 1 -24 9  37 o 82.65195 23.76039 244.9270       121.2958 209.0197       166.8685 285.1551       176.6231 76.39111 28.19906 86.08749 29.27304 -9.696373      40.64600 
1 1 1 -24 9  38 o 110.1762 19.68161 410.7412       122.5069 395.0340       170.8217 427.3748       175.7867 101.2127 27.88772 105.3351 27.98357 -4.122398      39.50703 
1 1 1 -24 9  39 o 113.5318 20.84594 444.8871       133.6867 474.9897       184.0506 411.2673       194.5053 110.3745 28.30101 100.1456 30.43180 10.22893       41.55769 
1 1 1 -24 9  40 o 108.1295 20.34268 404.5408       124.2705 878.2418       424.6270 360.1685       129.9605 118.1688 44.70500 100.0076 22.68151 18.16117       50.12971 
1 1 1 -24 9  41 o 54.54563 23.26879 54.02100       131.2704 217.3243       385.4820 32.59946       139.6149 79.35159 36.41758 53.51084 23.40808 25.84075       43.29179 
1 1 1 -24 9  42 o 45.65586 21.47470 -84.39911      147.4416 -55.35737      397.2178 -89.03983      158.7854 68.81772 33.15434 47.11339 22.19899 21.70433       39.89994 
1 1 1 -24 10 1  o 111.5815 27.99384 392.6309       182.8623 575.2939       234.3772 108.4596       292.3345 134.7358 30.38743 87.58353 35.82875 47.15224       46.97973 
1 1 1 -24 10 2  o 380.7855 26.96044 4415.116       598.1920 0.000000       0.000000 4415.116       598.1920 ?        ?        380.7855 26.96044 0.000000       26.96044 
1 1 1 -24 10 3  o 558.1417 15.88013 9249.893       519.2867 8646.854       650.1566 10312.42       863.0098 537.3099 20.67061 583.8770 25.26229 -46.56702      32.64135 
1 1 1 -24 10 4  o 374.1907 11.93824 4137.479       261.6543 4171.902       377.7212 4105.723       362.7997 374.1975 17.25802 371.3985 16.69893 2.799042       24.01444 
1 1 1 -24 10 5  o 177.4010 17.25618 944.2251       177.2699 937.0982       219.4347 957.6143       300.7681 175.5636 21.77851 174.7155 30.45962 0.8480835      37.44452 
1 1 1 -24 10 6  o 224.2840 14.43040 1495.585       188.8063 1595.214       239.9891 1333.760       305.8589 230.8413 17.86563 208.6740 25.52269 22.16731       31.15427 
1 1 1 -24 10 7  o 315.4900 12.31816 2944.112       227.4817 2895.479       308.7419 3001.868       336.4574 311.6700 16.95464 316.9804 18.17488 -5.310364      24.85530 
1 1 1 -24 10 8  o 281.6031 12.38569 2346.769       204.0536 2231.055       266.6303 2510.349       317.0172 273.5351 16.70016 289.5963 18.76654 -16.06119      25.12127 
1 1 1 -24 10 9  o 64.42310 26.14805 56.58866       154.2395 49.17313       183.7334 74.28646       283.8421 68.32458 28.22489 83.91889 34.91058 -15.59431      44.89313 
1 1 1 -24 10 10 o 53.50843 24.03000 -67.55090      157.0026 -79.48262      187.2523 -39.30763      288.0934 58.35000 26.22049 76.62414 33.56939 -18.27414      42.59599 
1 1 1 -24 10 11 o 293.4753 12.49035 2549.033       214.4878 2461.197       287.6634 2659.003       321.8747 287.1937 17.15708 298.1382 18.49965 -10.94443      25.23098 
1 1 1 -24 10 12 o 148.8353 19.68383 672.5920       167.6088 525.3879       206.1615 959.5733       287.8554 129.0903 28.03552 175.2974 29.01340 -46.20714      40.34560 
1 1 1 -24 10 13 o 281.9898 12.15401 2353.193       200.5314 2573.842       257.4809 2013.019       319.7010 294.2594 14.96902 258.2902 21.29399 35.96924       26.02894 
1 1 1 -24 10 14 o 311.3745 11.75364 2867.133       214.2523 3148.184       285.2473 2503.323       324.5382 325.4608 14.98440 288.8437 19.26828 36.61710       24.40899 
1 1 1 -24 10 15 o 482.4272 10.95760 6868.311       310.0257 6148.504       415.8885 7768.600       465.1149 454.7048 15.61860 511.2110 15.53150 -56.50626      22.02654 
1 1 1 -24 10 16 o 422.4779 10.36829 5265.445       256.8985 5092.021       351.0673 5465.359       376.9284 414.0432 14.47982 428.7669 15.01266 -14.72375      20.85774 
1 1 1 -24 10 17 o 372.7593 14.04117 4127.726       306.4116 5859.539       695.2221 3710.219       341.3542 436.7536 27.27786 352.4837 16.55890 84.26984       31.91048 
1 1 1 -24 10 18 o 389.5996 15.66615 4526.164       357.2275 0.000000       0.000000 4526.164       357.2275 ?        ?        389.5996 15.66615 0.000000       15.66615 
1 1 1 -24 10 19 o 354.1396 10.56408 3708.485       219.1648 3842.789       301.9128 3558.871       318.6563 359.2442 14.35877 345.1490 15.78398 14.09512       21.33795 
1 1 1 -24 10 20 o 295.1363 11.01907 2580.435       190.3947 2510.582       254.7091 2668.891       286.6253 289.8443 15.03545 298.3228 16.44604 -8.478424      22.28311 
1 1 1 -24 10 21 o 216.7093 12.74977 1399.143       161.3271 1393.349       207.9055 1407.910       255.7590 215.0893 16.61009 214.7366 20.55911 0.3526611      26.43051 
1 1 1 -24 10 22 o 90.14084 24.74264 258.4161       134.7554 215.7553       167.1309 337.6776       227.8103 84.70876 28.47688 102.9382 33.18320 -18.22943      43.72708 
1 1 1 -24 10 23 o 433.2866 10.39136 5556.815       264.0573 5435.112       366.0654 5688.834       381.2652 426.3197 14.66289 436.0116 14.93207 -9.691864      20.92766 
1 1 1 -24 10 24 o 45.17619 21.01283 -110.4795      134.7658 5.609406       171.8908 -295.6750      217.1064 61.37222 26.41202 51.06147 24.57736 10.31076       36.07827 
1 1 1 -24 10 25 o 122.7771 20.55381 471.7494       142.7727 348.4495       184.6540 655.0312       225.1319 103.0065 29.22127 141.8738 28.05170 -38.86731      40.50655 
1 1 1 -24 10 26 o 258.3640 11.14096 1988.347       168.4159 1978.771       227.7954 1999.891       250.1189 256.0185 15.24028 256.6492 16.70795 -0.6307373     22.61463 
1 1 1 -24 10 27 o 232.9511 11.20744 1620.627       152.6672 1543.623       200.5792 1726.670       235.3804 225.6060 15.24909 237.7281 16.99470 -12.12206      22.83319 
1 1 1 -24 10 28 f 453.1399 9.998164 6111.261       265.7070 6287.795       381.9189 5945.660       369.9022 455.9368 14.30057 443.4021 14.24303 12.53473       20.18341 
1 1 1 -24 10 29 o 105.0380 20.21911 355.4973       120.0346 334.2263       163.1959 380.5680       177.1734 98.89196 27.26198 105.0839 28.17392 -6.191917      39.20441 
1 1 1 -24 10 30 o 174.8488 13.20648 930.6725       134.4243 819.2075       191.0406 1039.979       189.1822 159.6829 20.90057 182.1542 17.94151 -22.47130      27.54508 
1 1 1 -24 10 31 o 63.74794 23.14783 118.9136       111.7334 245.5436       152.0278 -29.83303      164.7701 84.68138 27.08936 55.11493 24.69480 29.56646       36.65606 
1 1 1 -24 10 32 o 129.7423 15.91376 527.4268       118.5562 612.9177       158.1591 417.7769       179.1176 137.4563 20.22301 108.3943 27.98464 29.06203       34.52694 
1 1 1 -24 10 33 o 123.5447 17.30046 486.9411       121.9209 432.6464       161.7235 558.4283       185.5704 111.4362 25.32263 126.6302 25.86266 -15.19395      36.19548 
1 1 1 -24 10 34 o 189.1837 11.82299 1092.396       130.5225 1149.300       186.0945 1037.300       183.1149 190.3182 16.84638 180.1742 17.55150 10.14398       24.32808 
1 1 1 -24 10 35 o 96.93629 20.63532 317.3174       113.7114 351.6683       167.1043 287.6935       155.1812 97.35394 27.85746 88.58126 27.23336 8.772675       38.95759 
1 1 1 -24 10 36 o 126.4031 17.00315 516.0060       122.8546 429.7085       166.6658 618.6934       181.8049 108.3233 26.46438 132.7786 24.23967 -24.45529      35.88767 
1 1 1 -24 10 37 o 97.12405 21.73113 328.3933       120.6835 187.7351       164.7455 491.2850       177.2885 73.52907 27.83927 114.9748 26.79078 -41.44577      38.63639 
1 1 1 -24 10 38 o 87.66611 24.20413 281.5317       128.5294 409.2419       179.0185 145.6627       184.6483 102.0381 28.71201 69.26923 28.42151 32.76887       40.40002 
1 1 1 -24 10 39 o 175.7019 12.24750 958.5903       125.4143 -71.61948      445.6506 1047.196       130.6964 72.97787 35.14818 183.7130 12.19945 -110.7351      37.20512 
1 1 1 -24 10 40 o 77.57397 24.20413 224.2125       122.0605 446.3837       393.8145 200.6013       128.3828 91.29741 39.63417 73.49414 24.95775 17.80327       46.83755 
1 1 1 -24 10 41 o 73.02687 25.46668 199.7160       133.9601 255.9727       389.0863 192.1506       142.6835 81.05251 36.96676 71.88536 26.14995 9.167152       45.28091 
1 1 1 -24 11 1  o 408.3398 17.50693 4967.344       418.2849 0.000000       0.000000 4967.344       418.2849 ?        ?        408.3398 17.50693 0.000000       17.50693 
1 1 1 -24 11 2  o 358.7817 13.55547 3812.145       284.7171 3412.263       350.6040 4586.547       487.9040 338.2188 17.73737 390.8225 21.36779 -52.60370      27.77043 
1 1 1 -24 11 3  o 680.6961 17.95794 13800.42       716.2767 12710.91       902.9589 15649.60       1176.365 649.5040 23.74473 717.0397 28.02759 -67.53564      36.73361 
1 1 1 -24 11 4  o 710.5576 26.18106 15298.58       1089.165 0.000000       0.000000 15298.58       1089.165 ?        ?        710.5576 26.18106 0.000000       26.18106 
1 1 1 -24 11 5  o 226.0513 14.37567 1518.866       189.5961 1560.558       242.8018 1453.723       303.5014 228.2082 18.29449 218.4900 24.08438 9.718170       30.24477 
1 1 1 -24 11 6  o 110.7064 26.28103 385.2644       168.0677 168.5854       204.6135 834.6404       294.6665 83.35959 31.13945 162.3130 32.09240 -78.95340      44.71675 
1 1 1 -24 11 7  o 251.8040 13.62193 1880.903       200.4157 2229.153       265.9921 1423.561       304.8202 273.4392 16.66575 216.0334 24.49025 57.40579       29.62296 
1 1 1 -24 11 8  o 467.5063 12.37271 6460.013       338.9385 6857.481       528.6166 6182.534       441.6768 479.2135 18.84555 455.9310 16.54534 23.28253       25.07794 
1 1 1 -24 11 9  o 111.4833 25.55915 389.9841       163.5368 332.6613       198.7061 510.3198       287.9020 103.2677 30.61852 126.3097 36.69546 -23.04206      47.79174 
1 1 1 -24 11 10 o 184.7254 17.74355 1024.591       189.8671 1001.708       245.6653 1058.537       299.2080 180.9923 23.71356 184.5165 28.57231 -3.524261      37.13098 
1 1 1 -24 11 11 o 239.5102 13.69586 1702.928       191.5797 1530.012       243.9740 1981.031       309.4070 225.8027 18.58759 256.4547 20.74867 -30.65198      27.85688 
1 1 1 -24 11 12 o 48.98433 22.46424 -98.59267      146.3106 -25.84283      170.8450 -298.7331      283.3699 59.43213 25.94841 62.35055 29.46247 -2.918419      39.26012 
1 1 1 -24 11 13 o 168.8849 15.65508 853.7894       153.2940 868.0566       186.7224 824.2927       268.4814 169.4684 19.12041 161.9435 29.34869 7.524933       35.02765 
1 1 1 -24 11 14 o 217.1333 20.22503 1423.787       254.5909 583.8990       575.1612 1628.448       283.9204 140.2796 52.24652 232.0500 21.09266 -91.77042      56.34358 
1 1 1 -24 11 15 o 273.8459 11.57591 2219.248       185.4945 2208.797       239.9220 2234.778       292.4722 272.3383 15.08029 272.9330 18.37881 -0.5946350     23.77385 
1 1 1 -24 11 16 o 424.8341 13.32483 5352.594       331.5846 6499.895       701.7997 5022.871       376.2267 461.0775 26.05914 410.6511 15.65026 50.42642       30.39753 
1 1 1 -24 11 17 o 544.2267 11.21979 8752.607       358.1088 9025.180       509.9997 8487.510       502.9584 550.3312 15.81780 533.5240 16.09253 16.80719       22.56485 
1 1 1 -24 11 18 o 244.4579 11.78991 1772.358       168.5322 1679.720       212.2610 1930.373       277.2202 237.0358 15.35139 252.9986 18.81818 -15.96275      24.28557 
1 1 1 -24 11 19 o 195.1796 13.52815 1136.880       153.8961 1177.164       193.4902 1067.514       253.9015 197.6927 16.84894 185.7352 23.85927 11.95752       29.20876 
1 1 1 -24 11 20 o 288.0255 11.01691 2458.597       185.7547 2495.441       244.2642 2408.068       286.0503 289.0870 14.45308 282.8611 17.32636 6.225891       22.56311 
1 1 1 -24 11 21 o 127.9739 18.74023 503.2570       136.4848 610.9369       166.7560 284.7405       237.5509 140.5401 20.86394 97.27779 33.91345 43.26226       39.81741 
1 1 1 -24 11 22 o 144.0168 16.45141 629.6250       136.4629 644.1542       170.4863 603.7176       227.6574 144.2971 20.74087 136.3386 29.34168 7.958511       35.93213 
1 1 1 -24 11 23 o 254.7273 11.57156 1929.354       172.4179 2071.345       227.1433 1736.311       264.8475 262.8178 14.79626 238.7879 19.07017 24.02998       24.13712 
1 1 1 -24 11 24 o 73.52811 25.89657 153.9989       138.7422 112.7805       175.4947 222.7002       226.5692 72.29424 28.36762 88.99290 32.85716 -16.69866      43.40870 
1 1 1 -24 11 25 o 75.26376 25.64218 169.1072       135.5349 248.7356       170.7878 33.65197       222.7516 88.60860 28.74563 70.73466 30.24662 17.87394       41.72732 
1 1 1 -24 11 26 o 118.8965 19.41798 442.7532       130.7323 527.1447       172.0535 327.4724       201.0910 128.1348 23.77026 99.35897 31.07682 28.77586       39.12536 
1 1 1 -24 11 27 o 195.5268 12.38181 1149.208       141.2552 1205.822       194.1203 1085.495       205.9326 198.2782 16.85296 186.9251 19.05081 11.35310       25.43533 
1 1 1 -24 11 28 o 128.8963 16.47833 515.2332       121.7223 568.4380       161.9307 446.1158       184.5643 133.1209 21.47149 114.5020 27.77265 18.61884       35.10477 
1 1 1 -24 11 29 o 167.3052 12.89809 849.7845       125.5804 829.6537       171.9486 872.7965       183.8424 162.5264 18.36056 166.2338 19.21019 -3.707352      26.57332 
1 1 1 -24 11 30 o 132.1995 16.60607 547.0685       125.9163 689.3926       178.3013 405.4727       177.8447 145.7349 21.50676 107.6624 27.93047 38.07246       35.25127 
1 1 1 -24 11 31 o 108.7974 18.72151 380.9347       115.1488 512.2144       154.7480 218.0676       172.3625 124.6279 21.97464 81.04865 28.83396 43.57922       36.25303 
1 1 1 -24 11 32 o 164.5170 13.30608 830.4323       127.2895 878.8685       176.5256 777.9682       183.7189 166.0144 18.44136 154.4540 20.81073 11.56046       27.80594 
1 1 1 -24 11 33 o 91.16012 21.90419 282.2172       115.6439 368.1380       156.3352 178.3912       171.8543 101.8298 26.06917 74.91486 28.41758 26.91492       38.56372 
1 1 1 -24 11 34 o 63.25434 22.94639 123.8150       109.7615 136.3696       145.3567 107.1590       167.4245 67.61747 26.01505 66.18433 27.09920 1.433136       37.56527 
1 1 1 -24 11 35 o 87.25105 22.52893 265.0973       116.0758 284.0749       159.5846 243.7780       169.1441 87.58827 27.72422 81.77054 28.60942 5.817734       39.83882 
1 1 1 -24 11 36 o 91.68172 22.46298 294.7621       119.8167 283.2443       174.7822 304.9734       164.5713 86.14589 29.12171 89.63256 28.12515 -3.486671      40.48577 
1 1 1 -24 11 37 o 161.1870 14.43328 819.8889       134.9986 674.7300       187.4573 976.2810       194.5753 137.9919 24.03618 170.9527 19.77111 -32.96077      31.12290 
1 1 1 -24 11 38 o 93.37557 22.16354 309.2774       119.5441 708.1364       471.9699 281.9346       123.5737 106.1886 44.65371 88.13105 23.48502 18.05753       50.45295 
1 1 1 -24 11 39 o 58.61855 23.40659 95.56828       121.4296 110.6874       451.9335 94.39185       126.0654 78.44627 37.10980 58.90243 23.73561 19.54384       44.05129 
1 1 1 -24 11 40 o 120.4074 22.81680 519.9895       155.2272 -168.2346      419.4753 629.1865       167.0886 67.71638 32.96313 133.3804 22.13579 -65.66406      39.70593 
1 1 1 -24 11 41 o 83.72707 26.09099 273.2383       141.8810 50.06717       339.3642 320.5088       156.1859 70.26681 32.90055 89.64228 27.27591 -19.37547      42.73666 
1 1 1 -24 12 1  o 193.3628 17.96902 1121.736       201.4419 1325.520       251.0170 753.0748       337.6223 209.6050 20.68929 152.4472 37.91938 57.15781       43.19637 
1 1 1 -24 12 2  o 208.8287 15.97906 1301.112       194.2140 1278.412       244.9391 1339.548       318.7272 205.8374 20.56507 208.8328 26.62864 -2.995377      33.64531 
1 1 1 -24 12 3  o 383.2597 14.59043 4355.896       327.3541 4142.478       382.7592 4937.181       631.6912 372.8064 17.55550 402.8254 26.89256 -30.01895      32.11550 
1 1 1 -24 12 4  o 335.2177 12.28836 3322.658       241.1770 2992.909       323.4123 3735.768       361.9905 316.7696 17.47627 354.0023 17.48990 -37.23267      24.72482 
1 1 1 -24 12 5  o 443.8926 12.27141 5823.012       319.1582 5270.574       453.7515 6363.945       449.0018 420.2345 18.45595 462.6092 16.57623 -42.37473      24.80713 
1 1 1 -24 12 6  o 352.6868 12.23304 3677.488       252.6481 3996.241       358.5443 3363.127       356.0654 366.3929 16.72988 335.6004 18.15839 30.79242       24.69040 
1 1 1 -24 12 7  o 292.6968 12.86185 2536.590       220.2471 2444.126       291.6927 2659.221       335.9220 286.1407 17.46501 297.9295 19.32970 -11.78882      26.05118 
1 1 1 -24 12 8  o 306.4581 12.33843 2778.282       221.3058 2511.529       287.7614 3164.462       346.2357 290.2009 16.98186 325.4655 18.21177 -35.26462      24.90084 
1 1 1 -24 12 9  o 271.1887 14.10293 2182.901       223.5305 2121.819       263.6483 2339.056       421.5499 266.6432 16.94717 276.7478 26.28780 -10.10461      31.27707 
1 1 1 -24 12 10 o 297.7224 13.03669 2625.736       227.0782 2592.010       302.0697 2669.563       344.3404 294.5929 17.56347 298.2569 19.79758 -3.664001      26.46544 
1 1 1 -24 12 11 o 103.9416 25.63443 339.6860       155.2727 370.8078       185.3373 266.4132       284.3816 108.3140 28.71468 100.2707 36.84742 8.043327       46.71471 
1 1 1 -24 12 12 o 59.38228 24.86687 23.92779       145.4242 182.5240       171.4529 -382.7249      274.5429 81.62179 28.78443 57.61856 27.70899 24.00323       39.95412 
1 1 1 -24 12 13 o 187.7693 15.05815 1052.754       164.4348 1250.551       202.6979 672.0362       281.2167 204.2574 17.07695 144.4125 33.80440 59.84483       37.87294 
1 1 1 -24 12 14 o 347.2699 10.79303 3562.568       219.5500 3792.008       298.4168 3291.835       324.1594 357.3158 14.26904 332.0903 16.69735 25.22549       21.96377 
1 1 1 -24 12 15 o 356.0466 11.23023 3748.336       234.2085 3288.147       316.0224 4309.087       348.8466 331.9236 16.28384 380.3139 15.67377 -48.39032      22.60156 
1 1 1 -24 12 16 o 459.0034 13.39273 6251.030       360.1396 7127.635       751.9048 5990.057       410.2605 481.9632 26.70544 448.3662 15.62574 33.59698       30.94098 
1 1 1 -24 12 17 o 631.1971 12.00696 11792.27       444.4764 11945.67       634.5945 11644.55       622.7423 632.0397 17.13572 624.0916 17.03004 7.948120       24.15895 
1 1 1 -24 12 18 o 571.8930 12.75975 9700.456       427.9643 8735.087       646.3829 10453.94       571.0580 537.5157 20.54226 591.2391 16.48506 -53.72345      26.33898 
1 1 1 -24 12 19 o 370.9048 10.41776 4070.016       226.3898 4067.731       307.4268 4072.724       334.6269 369.4000 14.21693 369.0639 15.49444 0.3360596      21.02853 
1 1 1 -24 12 20 f 147.8525 16.93485 663.4664       144.1987 863.4871       180.0134 305.2813       240.8913 168.3970 18.53325 99.82168 34.18111 68.57536       38.88225 
1 1 1 -24 12 21 o 52.05775 22.74497 -17.92762      131.4695 47.87482       158.3317 -164.0280      235.9241 63.37195 26.19224 60.55439 28.04020 2.817566       38.37038 
1 1 1 -24 12 22 o 110.7548 21.98475 386.6566       137.7625 376.3367       172.0393 405.1005       229.9942 107.8181 27.21047 110.9791 32.95007 -3.161057      42.73309 
1 1 1 -24 12 23 o 215.4813 12.41449 1385.625       156.2236 1384.079       200.3092 1388.025       249.6028 214.1175 16.06860 212.6577 20.25770 1.459763       25.85680 
1 1 1 -24 12 24 o 305.2222 10.46083 2765.720       186.9780 2667.636       247.3748 2896.436       285.5735 298.2259 14.18424 309.9752 15.76043 -11.74930      21.20339 
1 1 1 -24 12 25 o 90.90405 24.02387 267.3595       129.9888 227.7984       160.3335 343.2375       222.0490 85.05170 27.86953 101.8567 32.75415 -16.80503      43.00634 
1 1 1 -24 12 26 o 160.6502 14.46954 783.0963       134.8690 1038.680       176.0997 420.5020       209.7501 184.3320 16.46257 111.0509 31.01837 73.28108       35.11631 
1 1 1 -24 12 27 o 151.7230 14.65135 702.4577       128.7507 603.7577       168.9518 839.1663       198.8392 137.4282 21.68005 162.6127 21.36597 -25.18451      30.43894 
1 1 1 -24 12 28 o 326.8380 9.656278 3184.718       184.8912 3258.181       265.6190 3115.667       257.5204 327.7697 13.84904 320.6020 13.72781 7.167755       19.49997 
1 1 1 -24 12 29 o 218.7965 11.03036 1439.152       141.0839 1548.766       195.0763 1318.940       204.2879 224.7698 14.88225 205.9459 17.06683 18.82384       22.64416 
1 1 1 -24 12 30 f 308.6004 10.31746 2856.244       186.4700 2712.345       279.4816 2971.695       250.3360 295.9746 16.16216 312.1454 13.70806 -16.17078      21.19260 
1 1 1 -24 12 31 o 72.10345 23.45335 170.7106       113.6484 105.3630       150.9591 256.2015       172.6651 65.65588 26.13716 85.86207 28.94488 -20.20619      38.99945 
1 1 1 -24 12 32 o 37.23228 17.85198 -137.0514      112.0506 -190.9991      152.8820 -74.43759      164.7044 42.64972 20.55271 51.41988 23.67385 -8.770161      31.35068 
1 1 1 -24 12 33 o 87.07790 23.34103 263.1288       121.6200 188.8424       167.9893 344.9519       176.3051 75.64693 28.22388 96.46266 28.89949 -20.81573      40.39515 
1 1 1 -24 12 34 o 76.02254 23.60233 200.3778       116.2240 103.9727       161.3451 304.3558       167.5623 65.15193 26.63094 90.56467 28.37412 -25.41274      38.91397 
1 1 1 -24 12 35 o 59.36397 23.32005 94.19661       118.7121 167.3279       162.5148 10.53304       173.8239 71.80689 27.53816 57.76070 25.65521 14.04619       37.63695 
1 1 1 -24 12 36 o 35.17228 17.20041 -190.0796      118.0384 -182.5233      165.5219 -197.8989      168.3777 44.39473 21.39157 44.14971 21.34774 0.2450218      30.22127 
1 1 1 -24 12 37 o 44.61258 20.33320 -37.04169      117.4593 -498.9276      437.4474 -1.153162      121.9372 62.81124 31.16348 48.54329 21.52842 14.26795       37.87659 
1 1 1 -24 12 38 o 144.2094 15.85844 670.6179       131.9125 798.3033       452.9684 658.7857       137.8890 112.3705 45.09269 142.0946 16.87552 -29.72407      48.14700 
1 1 1 -24 12 39 o 118.9622 24.67163 520.7543       166.4787 0.000000       0.000000 520.7543       166.4787 ?        ?        118.9622 24.67163 0.000000       24.67163 
1 1 1 -24 12 40 o 174.1251 15.55683 979.8806       157.1950 1765.041       408.1251 843.1112       170.3368 199.2738 36.25671 158.2728 18.71210 41.00101       40.80064 
1 1 1 -24 12 41 o 92.70010 25.90340 334.7720       146.2451 122.7918       343.9465 381.5544       161.5789 73.14707 33.86610 97.87852 27.18207 -24.73145      43.42554 
1 1 1 -24 13 1  o 193.0740 18.15953 1118.937       203.2120 1264.047       245.9341 806.6467       360.7849 204.6171 20.78197 157.4543 39.21799 47.16278       44.38402 
1 1 1 -24 13 2  o 243.3787 14.86733 1760.953       211.1976 1790.859       263.8380 1707.608       352.3740 244.5311 18.53529 236.4353 25.83193 8.095779       31.79380 
1 1 1 -24 13 3  o 295.1365 13.38410 2580.608       231.0633 2310.455       287.5574 3072.896       388.1765 278.1426 17.72029 319.8899 20.80369 -41.74725      27.32768 
1 1 1 -24 13 4  o 306.4135 13.13176 2780.254       235.4361 2376.077       300.4469 3423.329       378.9772 281.9094 18.27062 338.2747 19.18122 -56.36526      26.49028 
1 1 1 -24 13 5  o 340.0994 19.02100 3459.430       377.8817 0.000000       0.000000 3459.430       377.8817 ?        ?        340.0994 19.02100 0.000000       19.02100 
1 1 1 -24 13 6  o 237.3020 15.61390 1677.256       216.0945 1527.957       252.2949 2088.429       418.6892 225.5232 19.25924 260.8407 27.79720 -35.31757      33.81719 
1 1 1 -24 13 7  o 448.2412 12.23707 5938.284       321.3907 5900.263       468.6471 5972.041       441.5891 444.7813 18.00310 447.9525 16.83875 -3.171173      24.65066 
1 1 1 -24 13 8  o 428.3721 12.00116 5422.778       301.2082 5320.391       433.8990 5518.010       418.4655 422.4572 17.55102 430.6129 16.60108 -8.155670      24.15852 
1 1 1 -24 13 9  o 134.2241 22.04093 553.9741       167.4875 625.9160       202.9950 400.5622       296.4311 141.9323 25.31538 114.4507 37.91320 27.48167       45.58815 
1 1 1 -24 13 10 f 392.4361 11.99695 4552.879       275.7909 4890.700       400.1329 4247.154       380.6505 405.1624 16.87627 377.3862 17.24404 27.77628       24.12811 
1 1 1 -24 13 11 o 276.3863 12.54460 2262.785       202.8104 2409.393       265.2794 2056.558       314.6276 284.3440 15.97196 261.1799 20.70971 23.16415       26.15331 
1 1 1 -24 13 12 o 135.1418 19.15992 556.1903       147.6044 617.9443       174.7611 402.5023       275.6969 141.8933 21.68817 113.6070 36.49367 28.28632       42.45191 
1 1 1 -24 13 13 o 68.40840 24.90575 118.9264       129.4665 212.6516       151.9054 -129.8955      247.5080 84.17484 27.09338 65.00301 29.58369 19.17182       40.11541 
1 1 1 -24 13 14 o 207.1381 13.44390 1276.637       162.4364 1227.358       208.3035 1353.101       259.4742 201.9938 17.76439 211.0600 21.25124 -9.066177      27.69817 
1 1 1 -24 13 15 o 130.4242 19.38568 520.5092       143.7798 473.6336       176.1917 613.9480       248.7570 122.6397 25.33525 138.0961 31.42404 -15.45644      40.36515 
1 1 1 -24 13 16 o 190.2197 14.17281 1080.528       156.9746 1014.043       193.9603 1206.745       267.2468 183.1334 18.30402 198.1377 23.45241 -15.00427      29.74983 
1 1 1 -24 13 17 o 581.7125 11.64845 10016.83       397.3991 10592.12       582.0228 9514.393       543.9241 595.0296 16.69477 564.0795 16.45933 30.95007       23.44408 
1 1 1 -24 13 18 o 180.9351 14.81926 981.8123       155.8768 1010.311       194.4907 930.6302       260.6430 182.4757 18.42584 171.9498 26.71266 10.52588       32.45116 
1 1 1 -24 13 19 o 38.72867 18.58436 -169.0579      121.9787 -257.3547      141.1433 91.47125       242.4466 38.56746 18.84962 78.94223 32.49773 -40.37477      37.56874 
1 1 1 -24 13 20 o 303.1605 10.66566 2723.577       189.3363 2774.619       248.4672 2652.896       292.3856 304.8704 13.93326 296.8761 16.86241 7.994354       21.87411 
1 1 1 -24 13 21 o 114.5436 20.26026 408.8962       131.1243 389.1144       159.0663 450.8420       231.6277 110.2072 25.16494 116.7971 32.58583 -6.589844      41.17172 
1 1 1 -24 13 22 o 183.9406 13.97530 1015.356       149.6327 999.6144       190.6835 1040.585       241.4002 181.0782 18.20210 182.7690 23.03113 -1.690857      29.35557 
1 1 1 -24 13 23 f 271.6205 11.25719 2194.431       178.9372 2079.750       232.6724 2360.447       279.9455 262.9097 15.15416 279.1494 17.18288 -16.23975      22.91069 
1 1 1 -24 13 24 o 59.59015 24.02209 60.18848       129.1818 59.96706       162.5963 60.56748       212.7249 64.66776 26.61658 71.54478 30.02532 -6.877022      40.12434 
1 1 1 -24 13 25 o 161.5192 14.41852 790.2372       135.1480 866.5815       171.1827 663.9139       220.1981 167.9114 17.64661 142.1997 27.39725 25.71162       32.58852 
1 1 1 -24 13 26 o 47.34169 21.08773 -31.63524      118.2988 41.22446       150.9595 -147.5808      190.4337 60.34227 25.30674 52.84769 24.71243 7.494576       35.37139 
1 1 1 -24 13 27 o 155.7342 13.87148 738.4178       125.3698 761.5839       164.6437 706.4498       193.4093 156.0970 18.33365 147.7007 23.08266 8.396301       29.47765 
1 1 1 -24 13 28 o 202.7908 11.70499 1239.419       138.6183 1183.132       193.2066 1299.127       198.9930 195.2002 17.04774 204.8204 16.71098 -9.620178      23.87220 
1 1 1 -24 13 29 o 217.3412 10.81147 1420.162       137.3763 1479.647       191.6442 1357.289       197.0263 219.4079 14.98328 209.3102 16.17574 10.09778       22.04888 
1 1 1 -24 13 30 o 99.57497 21.94973 330.2124       124.7254 252.3796       162.3148 442.4310       194.8987 85.51575 28.04231 111.0006 29.45491 -25.48484      40.66894 
1 1 1 -24 13 31 o 133.8084 16.52363 564.2390       126.9181 540.6660       172.7370 591.8954       187.1009 126.2035 24.21851 131.4859 25.17970 -5.282310      34.93642 
1 1 1 -24 13 32 o 217.6455 11.38695 1437.452       144.8420 1760.949       203.2795 1103.844       206.4319 238.4179 14.60812 184.8807 19.32361 53.53716       24.22394 
1 1 1 -24 13 33 o 64.42934 23.93196 126.1401       120.5246 255.2370       167.7216 -11.70424      173.3107 83.95196 28.52614 56.54855 25.33273 27.40340       38.15086 
1 1 1 -24 13 34 o 51.92298 21.98909 35.27934       115.7669 103.9149       156.4977 -47.66819      172.0423 64.48225 26.27674 53.53412 24.47895 10.94813       35.91220 
1 1 1 -24 13 35 o 60.01479 25.76743 56.13911       162.8796 -478.7929      501.9462 119.0954       172.1977 68.77178 33.98791 66.91424 27.44996 1.857544       43.68842 
1 1 1 -24 13 36 o 137.2191 15.21085 599.7604       120.3569 845.8953       472.4146 582.6754       124.4640 117.4145 46.39832 134.6203 16.08236 -17.20584      49.10648 
1 1 1 -24 13 37 o 56.22747 23.33012 68.57519       126.2972 221.0895       460.2810 56.15733       131.3382 83.91493 38.96384 55.48178 23.45520 28.43316       45.47887 
1 1 1 -24 13 38 o 143.3825 17.04658 673.1206       140.5427 251.2507       445.3742 719.7757       148.1103 83.81054 38.70930 148.0022 17.39516 -64.19166      42.43821 
1 1 1 -24 13 39 o 47.50098 22.05878 -60.88708      147.5975 366.0085       398.2597 -128.8562      158.9137 86.96814 38.71839 45.25478 21.57864 41.71336       44.32552 
1 1 1 -24 13 40 o 128.5320 20.29340 570.9097       147.9030 39.24025       396.6580 656.7670       159.3984 72.65470 34.48603 137.9614 20.30734 -65.30674      40.02093 
1 1 1 -24 14 1  o 284.4392 14.46951 2401.620       240.5828 2330.795       302.1027 2524.407       397.7749 279.1101 18.56108 288.7557 23.69685 -9.645630      30.10074 
1 1 1 -24 14 2  o 394.9095 12.59013 4611.691       291.2213 4217.007       385.3007 5137.610       444.7690 376.1361 17.51452 414.9351 18.32213 -38.79898      25.34678 
1 1 1 -24 14 3  o 182.6323 17.60542 1001.123       186.2366 846.3137       220.3245 1388.559       348.5497 166.3084 23.22127 211.8002 28.80588 -45.49174      37.00008 
1 1 1 -24 14 4  o 289.2178 21.38950 2518.899       360.2400 0.000000       0.000000 2518.899       360.2400 ?        ?        289.2178 21.38950 0.000000       21.38950 
1 1 1 -24 14 5  o 450.8198 17.19264 6052.622       453.7321 0.000000       0.000000 6052.622       453.7321 ?        ?        450.8198 17.19264 0.000000       17.19264 
1 1 1 -24 14 6  o 343.8354 12.12081 3495.671       244.0355 3434.719       323.3447 3576.338       371.9803 339.6937 16.27771 345.9348 18.40096 -6.241119      24.56744 
1 1 1 -24 14 7  o 280.7547 12.54735 2333.793       206.0777 2543.427       266.9894 2024.833       324.1256 292.3594 15.62815 259.0123 21.53198 33.34708       26.60574 
1 1 1 -24 14 8  o 43.78105 20.84745 -184.1544      147.2893 -178.8349      172.5148 -198.4595      282.9019 49.26122 23.18869 66.88047 30.87608 -17.61925      38.61408 
1 1 1 -24 14 9  o 267.2325 12.46600 2115.240       194.8358 2249.927       248.3396 1899.612       314.2204 274.8991 15.46597 250.6884 21.58212 24.21071       26.55153 
1 1 1 -24 14 10 o 86.71983 25.93084 231.6650       142.0475 301.5428       165.4729 35.94035       276.9364 98.03543 27.61094 80.01008 33.95222 18.02535       43.76205 
1 1 1 -24 14 11 o 221.7615 13.39657 1461.329       173.4204 1710.730       213.6454 979.5854       296.9294 239.5459 15.28715 176.4975 29.74183 63.04842       33.44060 
1 1 1 -24 14 12 o 121.4687 20.19849 453.6485       138.8399 536.4006       161.1194 214.9556       273.6390 131.9423 21.56587 94.11145 35.82135 37.83086       41.81215 
1 1 1 -24 14 13 o 131.6803 19.73377 530.7636       147.7103 600.0663       177.6219 375.3802       265.9644 139.3767 22.49558 109.8952 35.88760 29.48153       42.35530 
1 1 1 -24 14 14 o 198.6261 14.30895 1177.282       165.5672 1284.038       207.9520 992.4313       273.6377 206.6750 17.31536 178.2768 27.01725 28.39818       32.08978 
1 1 1 -24 14 15 o 452.5331 13.67515 6083.511       362.5219 6003.420       469.9399 6201.219       569.7125 447.4685 17.94366 452.6252 21.52349 -5.156677      28.02205 
1 1 1 -24 14 16 o 322.5490 10.77677 3078.893       203.5750 3047.270       267.1967 3122.650       314.3026 319.7855 14.28299 322.8051 16.65822 -3.019592      21.94311 
1 1 1 -24 14 17 o 577.6873 16.35764 9987.408       553.6388 0.000000       0.000000 9987.408       553.6388 ?        ?        577.6873 16.35764 0.000000       16.35764 
1 1 1 -24 14 18 o 210.1850 12.41789 1315.385       152.3914 1282.485       189.2842 1375.998       256.9193 206.5842 15.74162 212.1162 20.92471 -5.532059      26.18477 
1 1 1 -24 14 19 f 325.4529 11.31127 3142.128       215.5704 3020.599       300.5227 3270.940       309.3961 317.1713 16.20973 330.1696 16.02605 -12.99832      22.79450 
1 1 1 -24 14 20 o 186.0265 13.90260 1036.986       150.5807 1119.334       188.5531 891.9908       250.1976 192.3588 16.88477 167.8755 26.27333 24.48334       31.23113 
1 1 1 -24 14 21 o 122.9878 19.48857 468.6772       135.8890 358.3101       164.7001 704.0054       240.4979 105.2517 26.65732 147.4329 28.84767 -42.18123      39.27850 
1 1 1 -24 14 22 o 216.8081 12.57020 1404.092       159.1482 1388.815       205.3486 1427.071       251.8396 214.2282 16.47058 215.5466 20.15570 -1.318420      26.02945 
1 1 1 -24 14 23 o 146.2710 16.33425 652.4653       137.7335 624.2517       168.4649 709.3445       239.1976 141.3253 20.95957 147.1877 28.74144 -5.862411      35.57210 
1 1 1 -24 14 24 o 83.49203 24.58060 224.0114       128.4373 207.6336       158.9043 254.8724       218.1287 82.01039 27.76723 91.06073 32.43258 -9.050339      42.69533 
1 1 1 -24 14 25 o 149.8409 15.59030 686.5350       135.0038 735.8870       177.3539 618.5380       208.1772 153.1316 20.24348 136.8715 26.89364 16.26012       33.66105 
1 1 1 -24 14 26 o 62.24550 23.47198 99.38813       116.8385 163.2838       145.5185 -16.53516      196.0054 74.01631 26.47591 61.92505 27.38724 12.09127       38.09245 
1 1 1 -24 14 27 o 243.7954 10.62683 1780.155       151.5778 1909.730       210.8794 1641.648       218.0259 250.3535 14.42355 230.9240 16.20142 19.42950       21.69158 
1 1 1 -24 14 28 o 374.2211 10.40608 4193.717       228.1625 4154.113       356.8882 4221.093       296.7201 366.5764 16.64376 372.7176 13.59706 -6.141144      21.49174 
1 1 1 -24 14 29 o 188.4879 12.04756 1076.764       132.4810 1156.351       181.8484 986.7459       193.3974 192.8677 16.22715 176.2312 19.01241 16.63652       24.99584 
1 1 1 -24 14 30 o 213.9218 11.83404 1386.788       147.8915 1136.846       207.4601 1645.043       210.8822 188.8749 18.98607 230.2760 15.70903 -41.40103      24.64233 
1 1 1 -24 14 31 o 154.5417 14.13274 738.8073       126.6758 806.7354       170.1289 654.2899       189.7694 158.6135 18.64454 138.7641 24.19778 19.84940       30.54753 
1 1 1 -24 14 32 o 179.6798 12.74155 991.3085       133.3969 968.1571       185.9106 1015.877       191.5175 173.2985 18.58171 177.4669 18.68081 -4.168350      26.34868 
1 1 1 -24 14 33 o 100.1288 20.40465 336.5088       115.7515 375.2622       159.6122 293.5172       168.1133 101.7559 26.49106 89.03016 28.48706 12.72572       38.90101 
1 1 1 -24 14 34 o 58.05264 22.87466 87.59370       114.5264 -407.3390      482.1069 117.1941       117.9014 69.59759 34.18442 62.48491 23.57492 7.112679       41.52531 
1 1 1 -24 14 35 o 36.18099 17.53677 -159.4080      115.3754 -667.7682      515.4030 -132.5897      118.3796 65.58412 32.74621 38.32330 18.36825 27.26082       37.54606 
1 1 1 -24 14 36 o 103.5712 21.77050 374.1145       128.0328 0.000000       0.000000 374.1145       128.0328 ?        ?        103.5712 21.77050 0.000000       21.77050 
1 1 1 -24 14 37 o 72.71496 24.82325 190.9808       127.0269 771.8272       458.1815 142.6180       132.2095 110.5731 44.99762 65.82302 24.93518 44.75008       51.44462 
1 1 1 -24 14 38 o 64.78381 25.70081 131.7494       145.4759 532.1570       441.5048 82.98240       154.0804 95.70394 41.75054 60.22961 25.43074 35.47433       48.88589 
1 1 1 -24 14 39 o 71.67088 27.51488 187.7261       162.3562 -54.54745      347.1787 255.5393       183.6781 67.07531 31.95850 79.66489 29.55286 -12.58958      43.52835 
1 1 1 -24 14 40 o 115.5609 22.47696 480.3110       146.8490 16.31921       422.0793 544.2106       156.6348 72.48805 34.72747 123.1386 22.51877 -50.65052      41.38951 
1 1 1 -24 15 1  o 417.8287 19.22004 5220.590       469.7191 0.000000       0.000000 5220.590       469.7191 ?        ?        417.8287 19.22004 0.000000       19.22004 
1 1 1 -24 15 2  o 140.6088 21.59404 605.4769       172.3883 622.6894       196.9025 548.9732       356.7522 141.8119 24.56428 131.2401 41.44081 10.57184       48.17411 
1 1 1 -24 15 3  o 422.2120 12.46985 5271.351       308.4369 5226.193       432.5525 5318.062       439.9323 418.6484 17.65693 422.2596 17.80457 -3.611145      25.07528 
1 1 1 -24 15 4  o 757.9507 19.98812 17187.84       887.7369 0.000000       0.000000 17187.84       887.7369 ?        ?        757.9507 19.98812 0.000000       19.98812 
1 1 1 -24 15 5  o 273.7870 12.72352 2220.433       203.7424 2289.666       255.6569 2099.931       337.2870 277.2874 15.78610 263.5959 22.01873 13.69147       27.09290 
1 1 1 -24 15 6  o 131.6201 20.99631 531.2401       156.6331 275.7399       182.1763 1255.554       306.7323 94.86487 29.56523 201.8219 26.55827 -106.9570      39.74223 
1 1 1 -24 15 7  o 337.9681 11.85191 3377.684       234.5536 3543.401       315.8826 3174.027       350.1801 345.1085 15.64771 325.6806 18.40860 19.42789       24.16045 
1 1 1 -24 15 8  o 146.8834 18.08815 652.6737       152.5307 800.9640       176.9626 224.1034       300.8404 162.7226 18.89399 97.55080 37.45326 65.17176       41.94913 
1 1 1 -24 15 9  o 189.0732 14.36229 1065.879       158.0676 1157.169       189.7708 859.0416       285.6486 196.5149 16.62156 164.7101 30.69984 31.80472       34.91069 
1 1 1 -24 15 10 o 81.94143 25.03270 205.2951       131.3784 278.2532       147.9678 -66.44132      285.5646 94.14346 25.96124 74.25082 32.93661 19.89263       41.93813 
1 1 1 -24 15 11 o 189.5896 14.45488 1072.734       159.5119 1092.127       192.9219 1030.828       283.5944 190.5549 17.45652 181.8012 27.45266 8.753723       32.53274 
1 1 1 -24 15 12 o 92.81609 25.00499 271.0341       139.1496 320.6805       165.2624 150.1030       257.9283 100.6366 27.30976 86.55067 34.25808 14.08589       43.81141 
1 1 1 -24 15 13 o 178.4890 15.34336 954.6350       159.0566 971.9297       192.1255 916.9590       283.5701 179.2427 18.54400 170.2024 29.47532 9.040344       34.82347 
1 1 1 -24 15 14 o 262.8925 13.09243 2054.568       201.2243 1957.169       229.2076 2381.991       420.2497 255.9194 15.34171 277.7462 26.10542 -21.82681      30.27971 
1 1 1 -24 15 15 o 270.6556 11.62163 2172.461       184.0439 2156.011       239.1405 2196.359       288.2356 268.5465 15.24653 269.9229 18.31628 -1.376434      23.83155 
1 1 1 -24 15 16 o 543.4595 16.00462 8832.763       509.5533 0.000000       0.000000 8832.763       509.5533 ?        ?        543.4595 16.00462 0.000000       16.00462 
1 1 1 -24 15 17 o 481.8755 15.65901 6945.933       441.9494 0.000000       0.000000 6945.933       441.9494 ?        ?        481.8755 15.65901 0.000000       15.65901 
1 1 1 -24 15 18 o 312.2177 16.73553 2931.565       305.3217 0.000000       0.000000 2931.565       305.3217 ?        ?        312.2177 16.73553 0.000000       16.73553 
1 1 1 -24 15 19 o 61.92110 24.79140 66.15387       136.5928 -58.52566      164.3417 344.7227       245.6498 54.97843 24.64594 104.1355 34.51394 -49.15708      42.41031 
1 1 1 -24 15 20 o 198.0677 13.50844 1174.299       155.9776 1245.660       194.8937 1047.152       260.1488 203.0251 16.51047 182.5652 24.94908 20.45987       29.91742 
1 1 1 -24 15 21 o 168.0160 14.64252 850.8260       142.8437 873.2643       174.0244 804.4869       250.0860 169.1607 17.80805 157.9082 28.03106 11.25253       33.20944 
1 1 1 -24 15 22 o 182.0627 13.80470 996.7106       146.3018 1006.512       181.9256 978.7693       246.1420 181.7048 17.27945 175.8763 24.52960 5.828552       30.00468 
1 1 1 -24 15 23 o 278.2188 11.10605 2305.516       180.8519 2384.067       244.4844 2210.589       268.7623 281.2145 14.87684 269.5894 17.08659 11.62515       22.65551 
1 1 1 -24 15 24 o 133.1449 17.31157 548.0161       131.9821 557.0825       162.2750 530.2987       226.8468 132.4392 21.63875 124.5691 31.13812 7.870117       37.91858 
1 1 1 -24 15 25 o 167.9003 13.99773 856.0348       136.5822 838.6895       175.4840 882.6883       217.5322 164.0915 18.56024 165.9264 22.96945 -1.834900      29.53097 
1 1 1 -24 15 26 o 174.8703 13.73625 930.1258       139.7452 775.0781       179.6499 1167.693       222.3760 156.3941 20.04687 192.3876 20.00037 -35.99352      28.31769 
1 1 1 -24 15 27 o 341.8721 9.862556 3491.348       197.5375 3478.250       277.5779 3504.788       281.1772 338.0759 14.03024 339.2476 14.16345 -1.171722      19.93617 
1 1 1 -24 15 28 o 72.02236 23.72151 167.7135       116.0988 221.3726       148.9893 84.75944       185.2475 81.26745 26.87697 67.73217 28.19204 13.53528       38.95077 
1 1 1 -24 15 29 o 173.2274 13.03732 916.2738       131.4791 985.6880       176.7094 830.1910       196.7857 177.1613 17.22467 159.5368 21.58533 17.62457       27.61550 
1 1 1 -24 15 30 o 219.0133 11.68665 1454.436       149.5670 1215.234       209.8118 1701.587       213.2699 195.3328 18.53674 233.9699 15.63211 -38.63704      24.24817 
1 1 1 -24 15 31 o 368.0995 9.656250 4069.203       208.2807 4516.058       303.0113 3668.977       286.7663 383.5355 13.49211 344.8103 14.21115 38.72513       19.59575 
1 1 1 -24 15 32 o 75.22354 23.16967 194.5979       112.2613 327.7639       149.7647 23.81726       169.6024 95.46749 26.03554 58.81232 25.76164 36.65517       36.62665 
1 1 1 -24 15 33 o 90.95071 20.40174 279.9362       106.1375 637.4396       489.0342 262.2639       108.7292 108.8940 45.60060 87.44090 21.38298 21.45311       50.36513 
1 1 1 -24 15 34 o 87.72211 24.68781 277.7657       132.3422 576.7463       539.6183 258.6317       136.5113 102.4733 45.37520 84.30401 25.46862 18.16933       52.03421 
1 1 1 -24 15 35 o 53.30327 23.92867 -8.249662      155.5156 -84.03950      507.6418 -0.4001307     163.3705 77.26551 37.28812 54.98662 24.61707 22.27889       44.68113 
1 1 1 -24 15 36 o 210.0407 11.78728 1360.324       144.6177 1235.547       476.8807 1372.962       151.7645 142.7320 48.10321 210.5195 12.34633 -67.78757      49.66236 
1 1 1 -24 15 37 o 62.17025 24.19057 118.5375       126.7408 548.5185       437.0080 79.04987       132.4327 97.88393 42.11911 57.89863 23.94457 39.98530       48.44958 
1 1 1 -24 15 38 o 186.8995 13.51621 1101.339       147.1532 407.4452       397.0671 1211.814       158.4350 89.23957 39.24323 195.7024 13.89433 -106.4629      41.63032 
1 1 1 -24 15 39 o 71.45245 25.24909 188.5788       131.9752 695.8285       398.5934 126.1227       139.8642 106.0420 42.38575 63.36368 25.17995 42.67830       49.30093 
1 1 1 -24 16 1  o 278.1630 23.49978 2347.372       379.7831 0.000000       0.000000 2347.372       379.7831 ?        ?        278.1630 23.49978 0.000000       23.49978 
1 1 1 -24 16 2  o 278.2644 13.28580 2296.018       216.1919 2114.452       267.1240 2640.759       368.0793 265.9989 17.21557 295.9659 21.34900 -29.96701      27.42545 
1 1 1 -24 16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 16 4  o 411.9440 17.36868 5062.450       418.6778 0.000000       0.000000 5062.450       418.6778 ?        ?        411.9440 17.36868 0.000000       17.36868 
1 1 1 -24 16 5  o 296.2277 19.51760 2635.341       337.1910 0.000000       0.000000 2635.341       337.1910 ?        ?        296.2277 19.51760 0.000000       19.51760 
1 1 1 -24 16 6  o 63.40932 24.57216 81.15257       130.3603 49.65092       146.1175 204.0334       288.5877 62.19752 25.37353 94.65004 36.59234 -32.45252      44.52881 
1 1 1 -24 16 7  o 362.8987 11.77126 3895.255       250.1980 4008.080       339.5055 3761.148       370.1434 366.8630 15.81662 354.6139 17.85515 12.24918       23.85313 
1 1 1 -24 16 8  o 150.3072 17.55180 682.5896       151.8129 668.8416       180.7559 715.5076       279.6978 147.6996 21.49758 149.1379 32.86559 -1.438248      39.27203 
1 1 1 -24 16 9  o 115.8778 21.56019 416.3202       141.1312 261.6424       162.9306 881.1198       282.4371 91.87056 27.83904 166.8930 29.95658 -75.02248      40.89509 
1 1 1 -24 16 10 o 233.6777 12.60056 1620.926       172.0474 1391.930       209.4942 2095.353       301.5381 215.4719 16.70842 263.6185 19.64487 -48.14662      25.78938 
1 1 1 -24 16 11 o 319.4754 11.73088 3022.260       219.4221 3035.977       291.1758 3004.234       333.7906 319.0134 15.61049 316.4288 18.06155 2.584625       23.87272 
1 1 1 -24 16 12 o 250.0286 12.44681 1855.888       181.9410 1866.767       228.7536 1837.156       300.1635 249.8677 15.68935 246.0108 21.00505 3.856842       26.21771 
1 1 1 -24 16 13 o 392.5941 11.57834 4564.940       266.2967 4818.254       390.5712 4344.885       364.0291 401.2528 16.63314 381.1420 16.32321 20.11078       23.30469 
1 1 1 -24 16 14 o 337.4835 11.47674 3375.268       226.8242 3559.526       311.6715 3167.784       330.7321 345.1320 15.43696 324.7079 17.43122 20.42413       23.28405 
1 1 1 -24 16 15 o 358.4487 11.20562 3806.746       235.2771 3757.847       329.8221 3857.410       335.7204 354.2962 15.91376 358.9333 15.98839 -4.637146      22.55829 
1 1 1 -24 16 16 o 379.9034 11.14394 4276.957       248.0234 4012.003       349.3970 4546.080       352.1353 365.7437 16.33008 389.8285 15.43279 -24.08484      22.46870 
1 1 1 -24 16 17 o 516.1772 15.79925 7979.638       477.7209 0.000000       0.000000 7979.638       477.7209 ?        ?        516.1772 15.79925 0.000000       15.79925 
1 1 1 -24 16 18 o 333.3188 11.18114 3296.196       218.2636 2775.820       291.6258 3958.919       329.1041 303.7825 16.42978 363.4334 15.47581 -59.65088      22.57074 
1 1 1 -24 16 19 o 147.4042 16.41331 659.8596       139.4877 673.9147       166.5236 626.8054       255.3715 147.9032 19.68604 137.5393 32.22588 10.36389       37.76304 
1 1 1 -24 16 20 o 223.1298 12.48145 1486.134       162.6816 1571.533       205.3847 1342.337       266.5103 228.4277 15.42132 208.0996 22.17832 20.32811       27.01286 
1 1 1 -24 16 21 o 145.4613 16.53758 645.5013       138.5797 490.6091       167.0415 987.4667       248.1994 123.9576 23.84301 176.6611 24.62396 -52.70346      34.27577 
1 1 1 -24 16 22 o 251.4195 11.37430 1884.473       167.2815 2054.294       218.1483 1642.086       260.6214 261.3072 14.28913 231.0429 19.41326 30.26428       24.10506 
1 1 1 -24 16 23 o 124.5265 18.64117 483.7771       131.9588 448.2353       161.7802 554.4293       228.0965 117.4725 24.28501 127.7337 30.80763 -10.26119      39.22845 
1 1 1 -24 16 24 o 218.5233 11.62347 1431.549       148.4291 1334.003       191.8445 1577.022       234.2785 209.0168 15.76635 226.1476 17.80762 -17.13075      23.78422 
1 1 1 -24 16 25 o 187.0356 12.92099 1058.306       140.8618 1170.964       182.0279 890.1333       222.3999 195.2009 16.04173 165.7056 23.54687 29.49532       28.49197 
1 1 1 -24 16 26 o 137.8781 16.22372 590.5679       128.6807 634.4330       166.5002 525.5035       202.7807 140.5553 20.82773 123.1166 28.62760 17.43864       35.40245 
1 1 1 -24 16 27 o 187.8752 12.26154 1069.429       134.3649 1242.624       177.9998 840.0206       204.8599 200.8738 15.22267 160.5378 22.36485 40.33606       27.05395 
1 1 1 -24 16 28 o 169.7613 13.31955 881.0943       131.5495 831.8291       170.1397 954.3231       207.4325 162.1043 18.21076 171.7253 21.03517 -9.621033      27.82283 
1 1 1 -24 16 29 o 256.1310 10.38479 1972.924       155.6715 2100.626       216.7782 1836.948       223.6900 261.5157 14.18720 243.2160 15.76706 18.29971       21.21030 
1 1 1 -24 16 30 o 158.9653 14.38903 783.5685       132.6967 518.6560       189.6470 1037.671       185.7372 120.6719 27.42207 180.6475 17.76079 -59.97565      32.67132 
1 1 1 -24 16 31 o 129.9017 16.99865 539.4598       126.3989 515.7406       184.5654 560.4107       173.4610 119.9319 26.90401 127.4735 24.08469 -7.541664      36.10953 
1 1 1 -24 16 32 o 130.1887 15.03413 533.9353       112.6832 128.9057       482.6591 557.2841       115.8856 86.23007 39.99092 132.9772 15.12806 -46.74710      42.75666 
1 1 1 -24 16 33 o 86.21587 23.19410 261.8610       119.8272 221.9200       502.2682 264.2715       123.3902 88.85947 41.06470 86.36098 23.66471 2.498489       47.39545 
1 1 1 -24 16 34 o 45.42063 21.07415 -70.28192      134.2626 40.78527       471.6920 -80.07396      140.0562 79.98203 37.85889 45.78456 21.33792 34.19748       43.45805 
1 1 1 -24 16 35 o 65.91515 24.64589 142.4839       128.2346 -407.9618      457.6071 189.3930       133.5870 66.17395 32.65707 72.81149 25.42856 -6.637535      41.38956 
1 1 1 -24 16 36 o 59.01169 23.80283 92.39782       126.9158 -323.2330      451.5966 128.0405       132.2457 67.10995 32.98701 63.91285 24.75416 3.197109       41.24211 
1 1 1 -24 16 37 o 44.21741 20.17719 -34.98324      116.1072 23.44973       387.3741 -40.75085      121.7025 72.75753 34.40028 44.77028 20.51546 27.98726       40.05326 
1 1 1 -24 16 38 o 133.2458 17.42891 588.7560       132.9374 319.0759       382.7789 625.7446       141.7612 84.40102 37.74096 136.8012 18.11391 -52.40020      41.86280 
1 1 1 -24 16 39 o 68.31220 25.55315 167.3495       137.8797 94.28239       431.8304 175.6441       145.4954 75.43981 35.85817 69.55161 26.20024 5.888206       44.41015 
1 1 1 -24 17 1  o 233.5007 13.92557 1621.219       189.8341 1603.082       226.4147 1664.142       348.3189 231.4628 16.79333 232.7158 25.96291 -1.252945      30.92068 
1 1 1 -24 17 2  o 381.9317 11.83585 4314.316       264.7959 3871.696       338.4114 5013.220       425.2441 360.4916 16.04683 409.5983 17.74439 -49.10675      23.92413 
1 1 1 -24 17 3  o 526.3571 15.58258 8239.779       480.4985 7448.488       560.9693 10419.68       931.0846 498.5963 19.22001 583.6969 27.27431 -85.10059      33.36610 
1 1 1 -24 17 4  f 177.7581 15.77766 946.4546       162.7767 858.4132       189.4736 1194.516       318.0420 168.2542 19.56591 195.6740 28.55529 -27.41975      34.61545 
1 1 1 -24 17 5  o 196.8940 51.37137 1351.845       599.3511 0.000000       0.000000 1351.845       599.3511 ?        ?        196.8940 51.37137 0.000000       51.37137 
1 1 1 -24 17 6  o 304.4089 11.73143 2742.733       209.0476 2843.262       277.7432 2611.358       317.5069 308.9262 15.37821 295.0049 18.44386 13.92133       24.01386 
1 1 1 -24 17 7  o 132.1948 17.76149 530.6761       134.2221 657.5259       155.1593 153.4954       267.5516 147.2260 18.36825 87.92201 34.86251 59.30394       39.40542 
1 1 1 -24 17 8  o 203.9428 13.03587 1236.931       155.1027 1200.605       182.9691 1329.691       292.3833 200.2826 15.70247 207.9872 24.43542 -7.704636      29.04577 
1 1 1 -24 17 9  o 466.8374 11.99049 6451.729       328.0148 6197.210       473.3724 6686.814       454.9422 454.9612 17.77520 473.3292 16.41346 -18.36798      24.19420 
1 1 1 -24 17 10 o 348.8561 11.40833 3602.311       233.0958 3783.529       322.4037 3403.840       337.4021 356.1522 15.47217 337.1314 17.12073 19.02072       23.07612 
1 1 1 -24 17 11 o 64.02399 23.87801 98.38477       120.2154 48.61246       134.6000 294.6234       267.2658 59.86280 24.37856 100.7730 35.89928 -40.91016      43.39438 
1 1 1 -24 17 12 f 204.1687 13.90089 1244.495       165.4567 1551.503       203.0183 637.2460       285.5247 227.6617 15.29402 138.9431 35.04839 88.71860       38.23999 
1 1 1 -24 17 13 o 199.5619 13.86341 1189.726       161.2463 1389.715       197.9460 795.2734       277.9980 215.1891 15.79472 156.8207 31.32342 58.36845       35.08034 
1 1 1 -24 17 14 o 276.2221 12.45864 2268.265       201.3076 2061.470       232.9128 2878.914       400.2386 262.4242 15.19851 306.7954 22.39867 -44.37119      27.06835 
1 1 1 -24 17 15 o 234.4987 12.17458 1635.700       166.8612 1563.768       209.9698 1758.990       274.8886 228.1678 15.78841 240.5290 19.65803 -12.36121      25.21333 
1 1 1 -24 17 16 o 403.9070 11.18129 4836.833       264.6098 4737.671       386.7864 4924.074       362.7943 397.1121 16.64453 405.6227 15.27793 -8.510620      22.59326 
1 1 1 -24 17 17 o 654.3676 17.62461 12899.37       675.7659 0.000000       0.000000 12899.37       675.7659 ?        ?        654.3676 17.62461 0.000000       17.62461 
1 1 1 -24 17 18 o 446.1406 15.43290 5968.203       403.1952 0.000000       0.000000 5968.203       403.1952 ?        ?        446.1406 15.43290 0.000000       15.43290 
1 1 1 -24 17 19 o 158.5127 16.15483 762.4516       148.0849 737.1537       178.9375 817.4354       263.8015 154.3790 20.25129 158.4812 29.46668 -4.102173      35.75472 
1 1 1 -24 17 20 o 99.20439 24.02012 317.1591       138.2442 240.1644       166.7304 486.5369       247.2936 87.36862 28.40653 119.8491 33.75368 -32.48048      44.11623 
1 1 1 -24 17 21 o 56.75744 23.39976 41.23116       125.9461 10.46669       147.2320 125.1543       243.1746 57.24924 24.53774 80.39068 32.75663 -23.14144      40.92796 
1 1 1 -24 17 22 o 227.8086 11.70359 1552.037       155.8410 1643.078       201.6429 1416.997       245.5808 233.0578 14.82952 213.8000 19.81086 19.25780       24.74642 
1 1 1 -24 17 23 o 189.2799 13.26138 1081.891       146.2807 1151.910       188.2715 975.2388       232.3606 193.7134 16.73596 174.5473 23.27842 19.16612       28.67014 
1 1 1 -24 17 24 o 69.43912 29.08917 73.69585       199.1154 208.6520       530.4139 51.55776       214.8269 102.1193 45.11333 69.45448 29.70158 32.66480       54.01293 
1 1 1 -24 17 25 o 68.21236 24.18799 139.4084       121.2034 175.7096       150.2232 71.70621       205.1531 75.44030 26.91000 69.46170 29.33736 5.978600       39.80991 
1 1 1 -24 17 26 o 72.91261 28.77600 138.2179       181.5007 -388.4044      443.1606 244.3567       198.9522 72.11801 34.81275 85.89912 30.92937 -13.78111      46.56773 
1 1 1 -24 17 27 o 80.24411 24.24574 216.6355       123.7103 184.6703       158.8101 265.9682       197.2906 76.34454 27.61432 87.86577 30.88636 -11.52122      41.43088 
1 1 1 -24 17 28 o 88.26420 23.01647 263.7978       120.3571 270.9466       156.1366 253.3300       188.9367 88.05870 27.35923 85.68556 30.21654 2.373138       40.76232 
1 1 1 -24 17 29 f 197.6792 11.65205 1186.328       134.4879 1051.802       177.3778 1368.236       206.2630 182.8275 16.72790 208.4354 17.02136 -25.60783      23.86523 
1 1 1 -24 17 30 o 155.5786 19.07993 784.7125       170.4509 1718.559       457.1162 633.8994       183.6996 203.4869 39.72972 136.1077 23.88376 67.37920       46.35606 
1 1 1 -24 17 31 o 262.7855 9.190658 2074.281       141.4260 1955.510       470.2443 2086.092       148.2915 218.2753 38.12046 263.2340 9.621772 -44.95876      39.31600 
1 1 1 -24 17 32 o 121.7063 23.16911 512.1374       159.3371 0.000000       0.000000 512.1374       159.3371 ?        ?        121.7063 23.16911 0.000000       23.16911 
1 1 1 -24 17 33 o 134.5943 16.53048 582.7507       127.7485 123.1957       472.0826 619.0619       132.6995 83.32677 38.94674 138.6819 16.64786 -55.35510      42.35563 
1 1 1 -24 17 34 f 122.2858 19.75879 502.6260       136.8757 142.1807       465.0697 536.8085       143.2190 82.54105 38.60457 126.2426 20.01052 -43.70153      43.48256 
1 1 1 -24 17 35 o 138.9597 15.52746 619.6502       124.3831 487.6042       449.8827 630.5793       129.4282 95.53027 41.89811 139.7648 16.08277 -44.23449      44.87880 
1 1 1 -24 17 36 o 98.30354 21.67112 340.6679       121.5711 526.5486       424.9790 324.1011       126.8730 96.87638 41.60837 94.75594 23.05337 2.120438       47.56800 
1 1 1 -24 17 37 o 46.29284 21.06938 -28.64817      125.5590 100.7333       379.2378 -44.57637      133.0635 74.82339 34.95101 46.32522 21.31025 28.49818       40.93531 
1 1 1 -24 17 38 o 37.72306 18.28370 -159.3604      125.3908 -564.1387      401.8419 -115.6959      131.9807 57.41011 28.70282 41.36330 19.70690 16.04681       34.81686 
1 1 1 -24 18 1  o 208.2397 14.19831 1292.238       172.3635 1479.370       205.9973 855.3625       314.7502 222.4389 15.89542 162.7740 34.06617 59.66490       37.59213 
1 1 1 -24 18 2  o 624.1491 13.96182 11553.57       511.0706 11687.43       805.5078 11463.38       661.1971 622.1351 22.11188 619.0025 18.23315 3.132629       28.65978 
1 1 1 -24 18 3  o 223.7044 13.17469 1487.441       172.0831 1224.883       202.6940 2165.166       325.6527 201.9114 17.28314 267.5472 20.92032 -65.63585      27.13608 
1 1 1 -24 18 4  o 289.5593 20.71126 2533.319       349.3954 0.000000       0.000000 2533.319       349.3954 ?        ?        289.5593 20.71126 0.000000       20.71126 
1 1 1 -24 18 5  f 840.0646 21.42090 21282.50       1054.500 0.000000       0.000000 21282.50       1054.500 ?        ?        840.0646 21.42090 0.000000       21.42090 
1 1 1 -24 18 6  o 129.5387 19.21329 513.3576       141.5488 420.4833       162.7804 801.3500       286.6453 115.5316 24.76822 157.9260 32.04520 -42.39442      40.50135 
1 1 1 -24 18 7  o 95.08453 42.18538 -54.95339      468.6575 0.000000       0.000000 -54.95339      468.6575 ?        ?        95.08453 42.18538 0.000000       42.18538 
1 1 1 -24 18 8  f 480.3435 17.15398 6905.026       482.4691 0.000000       0.000000 6905.026       482.4691 ?        ?        480.3435 17.15398 0.000000       17.15398 
1 1 1 -24 18 9  o 388.7980 11.80161 4478.761       268.7896 4674.099       378.6669 4280.383       381.6020 395.3317 16.36762 377.8707 17.26497 17.46100       23.79030 
1 1 1 -24 18 10 o 170.3627 14.80499 870.4172       146.4548 841.2731       167.4681 965.1807       301.9792 166.7675 17.37723 173.6045 30.78681 -6.837036      35.35245 
1 1 1 -24 18 11 o 336.8134 11.38665 3361.721       224.6006 3295.094       297.2215 3450.415       342.9250 332.0603 15.30319 338.9332 17.30913 -6.872925      23.10397 
1 1 1 -24 18 12 o 132.8993 17.22756 537.6411       131.1190 508.6187       149.3475 635.2373       273.8719 128.2300 20.55304 138.7450 33.94128 -10.51500      39.67919 
1 1 1 -24 18 13 o 217.9694 22.29049 1460.220       280.9401 0.000000       0.000000 1460.220       280.9401 ?        ?        217.9694 22.29049 0.000000       22.29049 
1 1 1 -24 18 14 o 215.7594 12.89056 1388.112       162.3706 1377.302       200.2071 1408.887       277.5432 213.9371 16.07424 213.8512 22.46435 0.8589172E-01  27.62296 
1 1 1 -24 18 15 o 344.8806 11.16492 3527.719       225.5289 3625.276       316.1811 3426.672       321.7849 347.7938 15.54039 337.7528 16.29292 10.04095       22.51584 
1 1 1 -24 18 16 o 332.7364 10.93379 3283.611       213.0746 2787.998       277.3985 3996.823       332.7682 304.7850 15.57047 365.0551 15.57875 -60.27014      22.02582 
1 1 1 -24 18 17 o 423.0963 23.42728 5526.140       579.0457 0.000000       0.000000 5526.140       579.0457 ?        ?        423.0963 23.42728 0.000000       23.42728 
1 1 1 -24 18 18 o 362.4067 11.37530 3903.710       241.4746 3995.413       342.9479 3813.543       340.0637 364.2139 16.09515 355.6648 16.34677 8.549164       22.94059 
1 1 1 -24 18 19 o 210.1443 13.75553 1325.951       168.5977 1365.433       221.8424 1271.966       259.4066 211.5081 18.05662 202.0571 22.25887 9.450928       28.66180 
1 1 1 -24 18 20 o 221.1518 12.56984 1464.379       162.3598 1607.427       208.7146 1245.157       258.3769 230.5083 15.52950 199.3691 22.48963 31.13925       27.33037 
1 1 1 -24 18 21 o 80.41868 24.39278 207.3049       125.0459 331.4282       148.1183 -100.6409      233.3025 100.4729 25.18743 62.54779 28.56456 37.92510       38.08334 
1 1 1 -24 18 22 o 102.1501 21.29593 336.0527       123.4410 282.1994       147.6441 461.1232       225.0026 92.21217 26.11923 115.0939 32.11856 -22.88174      41.39827 
1 1 1 -24 18 23 o 131.1613 16.84145 534.4642       126.5635 686.1860       157.3763 256.6792       212.9460 148.0315 18.53233 89.18127 32.01266 58.85027       36.98997 
1 1 1 -24 18 24 o 172.4362 12.76820 901.2485       128.2084 893.2463       159.8277 915.6910       214.7182 169.9918 16.22820 168.4754 22.27646 1.516373       27.56075 
1 1 1 -24 18 25 o 88.47814 22.54719 260.5650       117.3200 222.3620       143.1702 338.6538       204.6905 81.61415 26.30592 97.64534 31.45229 -16.03119      41.00302 
1 1 1 -24 18 26 o 89.29541 23.23151 268.6007       122.8049 273.1106       155.1623 261.0389       200.9179 88.86220 27.21540 87.44350 31.12864 1.418694       41.34816 
1 1 1 -24 18 27 o 77.51034 24.18508 201.5972       121.8674 175.4819       159.5513 238.1704       188.8138 74.94265 27.58963 83.95450 30.14326 -9.011848      40.86324 
1 1 1 -24 18 28 o 98.84881 21.76176 327.6014       122.7358 505.6426       163.4885 97.66937       185.7919 122.1841 23.67017 68.10143 28.28016 54.08263       36.87878 
1 1 1 -24 18 29 o 104.1336 21.60764 364.9814       127.6341 974.4564       455.9217 313.1548       132.9501 139.1870 47.03421 95.00482 23.88898 44.18222       52.75320 
1 1 1 -24 18 30 f 129.0987 14.92592 523.6324       110.9301 1130.706       471.2688 488.0236       114.1372 147.6741 47.73788 123.9353 16.08179 23.73876       50.37389 
1 1 1 -24 18 31 o 83.95200 22.27476 244.2852       111.4684 1526.206       460.0320 164.3264       114.8922 181.9517 43.66730 69.78941 23.61087 112.1623       49.64178 
1 1 1 -24 18 32 o 95.44192 22.23109 316.6385       122.1132 711.8707       437.3182 283.2161       127.1716 113.9672 44.76231 89.17252 23.85240 24.79465       50.72082 
1 1 1 -24 18 33 o 63.40870 24.16287 123.7448       124.5965 479.3207       431.0949 91.33452       130.1511 97.61358 41.91556 59.73819 24.10132 37.87539       48.35068 
1 1 1 -24 18 34 o 52.05460 22.48615 29.66721       125.4984 -62.89817      479.5940 36.47150       130.0292 75.74044 36.47453 53.38322 22.97284 22.35722       43.10618 
1 1 1 -24 18 35 o 63.95490 24.55653 130.0197       129.3345 16.05466       482.9784 138.8233       134.2370 77.38470 37.09328 65.39877 25.04117 11.98592       44.75457 
1 1 1 -24 18 36 f 66.50771 24.93393 151.2225       131.4307 428.1608       450.0782 125.4052       137.4205 90.36071 40.62418 63.47477 25.04279 26.88594       47.72279 
1 1 1 -24 18 37 f 96.58533 24.38622 348.3039       138.1370 -63.84538      434.8634 394.5594       145.6824 71.33087 34.44574 102.9377 24.48902 -31.60685      42.26371 
1 1 1 -24 18 38 o 62.10087 24.93203 118.0547       138.5440 498.3684       442.9474 76.81411       145.8625 91.42760 40.76009 58.24867 24.67582 33.17894       47.64747 
1 1 1 -24 19 1  o 352.9446 12.26945 3692.525       253.5836 3923.032       335.0689 3383.505       387.9592 362.5397 15.79689 334.9288 19.83961 27.61093       25.36044 
1 1 1 -24 19 2  o 366.0237 11.67504 3967.097       250.3009 3648.876       324.1628 4436.959       393.8980 349.5852 15.85226 384.8246 17.49880 -35.23941      23.61149 
1 1 1 -24 19 3  o 110.2619 21.60191 379.0070       134.6923 316.6422       150.2434 634.3470       304.0080 99.93715 25.54119 138.5783 36.79367 -38.64113      44.78981 
1 1 1 -24 19 4  o 676.1576 18.83307 13730.27       746.0988 0.000000       0.000000 13730.27       746.0988 ?        ?        676.1576 18.83307 0.000000       18.83307 
1 1 1 -24 19 5  o 400.9653 17.42559 4818.999       408.7960 0.000000       0.000000 4818.999       408.7960 ?        ?        400.9653 17.42559 0.000000       17.42559 
1 1 1 -24 19 6  o 130.6389 19.43667 523.5927       144.3881 595.1153       164.6001 284.8365       300.7362 139.0183 20.82928 101.8797 37.81099 37.13857       43.16862 
1 1 1 -24 19 7  o 60.53324 23.72861 70.64789       122.6843 -3.469546      135.4894 408.0921       289.0987 54.44175 23.43953 113.3964 37.43653 -58.95469      44.16906 
1 1 1 -24 19 8  o 61.78065 24.05035 77.16498       125.3224 157.0876       138.1034 -295.6571      298.2775 74.52937 25.86550 63.98280 30.23188 10.54657       39.78681 
1 1 1 -24 19 9  f 247.4492 36.88553 2003.320       518.9647 0.000000       0.000000 2003.320       518.9647 ?        ?        247.4492 36.88553 0.000000       36.88553 
1 1 1 -24 19 10 o 182.4635 14.71285 998.2823       156.1091 986.5236       184.9556 1027.409       291.0920 180.4980 17.69939 179.9461 28.53371 0.5519104      33.57739 
1 1 1 -24 19 11 o 167.7818 15.46218 847.4757       150.4377 798.4864       178.2702 968.6617       280.3847 161.6951 19.17148 174.5649 28.35961 -12.86974      34.23175 
1 1 1 -24 19 12 o 102.1157 22.06422 328.8754       128.2751 421.0101       147.3504 40.52556       260.6750 115.7150 22.52317 77.09097 32.83511 38.62401       39.81755 
1 1 1 -24 19 13 o 369.8768 11.31997 4057.763       245.2684 4164.083       345.1037 3949.247       348.6472 372.6938 15.82474 362.6234 16.43654 10.07043       22.81627 
1 1 1 -24 19 14 o 218.7199 12.97525 1427.659       165.6909 1595.933       208.2166 1137.123       273.5938 230.4599 15.49533 190.5202 25.09545 39.93970       29.49385 
1 1 1 -24 19 15 o 105.4402 21.27343 349.9647       127.0086 391.5871       146.4653 223.7788       255.0210 111.0747 23.23185 91.65112 34.65128 19.42355       41.71847 
1 1 1 -24 19 16 o 312.3252 12.74468 2908.482       232.9556 2582.683       274.6464 3743.953       439.8099 292.8583 16.05202 349.2151 21.57984 -56.35681      26.89529 
1 1 1 -24 19 17 o 221.5464 12.42020 1465.801       160.7316 1347.332       197.9137 1695.315       275.4722 211.0700 16.10989 234.9555 20.18682 -23.88548      25.82705 
1 1 1 -24 19 18 o 131.5606 19.60759 538.3431       146.6727 469.5048       179.3948 677.1406       254.7331 120.1842 26.19290 142.3825 31.35503 -22.19824      40.85592 
1 1 1 -24 19 19 o 189.9805 14.05025 1088.001       155.4388 1012.211       193.9018 1224.284       260.0129 181.4158 18.48237 197.3624 22.88749 -15.94667      29.41828 
1 1 1 -24 19 20 o 91.53642 22.44611 271.2809       119.5616 335.4488       140.9481 106.6405       225.7713 101.3784 24.06799 76.33755 31.38599 25.04083       39.55184 
1 1 1 -24 19 21 o 119.8229 18.76094 451.1699       127.5166 336.9737       156.1832 679.4927       220.8429 100.4800 26.22777 142.9621 27.33571 -42.48211      37.88320 
1 1 1 -24 19 22 o 39.07155 18.56750 -129.3310      115.6569 -93.24522      138.3453 -213.0913      210.7730 46.38168 21.47560 52.52622 24.99104 -6.144547      32.95077 
1 1 1 -24 19 23 o 81.21637 23.57113 218.1733       118.8446 252.8475       143.4327 142.2322       212.2678 86.73144 26.08528 76.55772 30.81731 10.17371       40.37510 
1 1 1 -24 19 24 o 120.3162 17.91930 457.8924       122.5913 419.0551       151.0260 532.9124       209.9013 112.0966 23.71392 123.1011 29.46628 -11.00455      37.82343 
1 1 1 -24 19 25 o 56.91137 23.00481 63.35281       118.8301 88.26460       143.9812 10.13517       210.4414 63.24834 25.40831 64.57643 28.47675 -1.328087      38.16422 
1 1 1 -24 19 26 o 51.85566 21.76155 32.22759       111.7371 -72.84871      136.1199 249.3054       195.6487 46.78938 21.53462 85.55074 30.68793 -38.76136      37.48985 
1 1 1 -24 19 27 o 44.32322 20.06915 -40.96022      112.1327 -540.4720      485.9983 -12.87365      115.2421 69.95131 34.35090 47.53147 21.01175 22.41984       40.26758 
1 1 1 -24 19 28 o 205.0424 11.39128 1276.048       136.4446 0.000000       0.000000 1276.048       136.4446 ?        ?        205.0424 11.39128 0.000000       11.39128 
1 1 1 -24 19 29 o 65.31177 26.12323 111.5236       151.5104 0.000000       0.000000 111.5236       151.5104 ?        ?        65.31177 26.12323 0.000000       26.12323 
1 1 1 -24 19 30 o 232.0383 10.05622 1626.468       136.5252 1601.406       481.5261 1628.659       142.3673 185.1657 44.82647 231.8930 10.49541 -46.72725      46.03874 
1 1 1 -24 19 31 o 140.4012 15.38673 624.4238       124.6245 0.000000       0.000000 624.4238       124.6245 ?        ?        140.4012 15.38673 0.000000       15.38673 
1 1 1 -24 19 32 o 50.29565 22.20061 3.420017       128.1946 272.6369       424.9069 -23.53882      134.4601 87.60216 39.42048 48.99859 22.10102 38.60357       45.19324 
1 1 1 -24 19 33 o 56.60102 23.45644 68.84068       127.4510 392.9123       459.0760 41.77669       132.6661 91.99576 41.21982 54.37681 23.29918 37.61895       47.34897 
1 1 1 -24 19 34 o 49.10741 21.91129 -5.182690      128.2814 468.2159       466.7306 -43.86705      133.4198 94.15398 41.91634 46.82276 21.46508 47.33122       47.09277 
1 1 1 -24 19 35 o 50.74753 22.47550 8.676053       132.4587 149.3741       458.0310 -4.164660      138.3711 80.02373 37.70490 50.52483 22.63480 29.49890       43.97719 
1 1 1 -24 19 36 o 46.31453 21.58808 -69.06438      143.4434 57.93964       435.3227 -84.53375      151.9283 75.30500 35.85331 46.68751 21.90917 28.61749       42.01751 
1 1 1 -24 19 37 o 55.40323 24.12695 43.85860       146.8879 433.8289       420.5271 -10.33207      156.7619 89.48196 39.81495 52.22886 23.68082 37.25309       46.32507 
1 1 1 -24 20 1  o 311.3220 20.27764 2934.947       368.2206 0.000000       0.000000 2934.947       368.2206 ?        ?        311.3220 20.27764 0.000000       20.27764 
1 1 1 -24 20 2  o 191.1394 14.26999 1092.393       158.8103 1179.211       176.0549 713.2135       367.9303 198.3636 15.25035 145.0854 41.27792 53.27817       44.00500 
1 1 1 -24 20 3  o 517.9119 15.41977 8004.564       467.8434 7296.105       542.2569 10067.57       925.3320 492.3527 18.81387 570.0403 27.76192 -77.68768      33.53633 
1 1 1 -24 20 4  o 458.1171 29.91202 6569.397       799.2655 0.000000       0.000000 6569.397       799.2655 ?        ?        458.1171 29.91202 0.000000       29.91202 
1 1 1 -24 20 5  o 212.6338 12.73274 1345.995       158.0560 1151.251       182.8987 1920.360       314.1038 195.6971 16.07752 250.8919 21.55570 -55.19484      26.89116 
1 1 1 -24 20 6  o 277.5315 20.33507 2338.534       328.6877 0.000000       0.000000 2338.534       328.6877 ?        ?        277.5315 20.33507 0.000000       20.33507 
1 1 1 -24 20 7  o 67.61841 24.60098 118.7697       126.2864 110.3982       138.9708 158.4498       302.5594 68.03020 25.61061 90.84637 36.71305 -22.81617      44.76328 
1 1 1 -24 20 8  o 488.4257 12.49752 7083.588       357.6977 7416.127       540.4329 6824.341       477.1743 496.0403 18.60995 476.8252 17.09111 19.21509       25.26730 
1 1 1 -24 20 9  o 204.2987 13.68206 1247.146       162.9884 1272.426       194.1361 1186.772       300.0129 205.5978 16.23202 194.1428 27.08555 11.45500       31.57698 
1 1 1 -24 20 10 o 144.4765 16.79493 633.6954       139.6575 627.1028       156.9663 658.7399       305.9384 142.9797 19.20411 139.9043 36.80032 3.075424       41.50977 
1 1 1 -24 20 11 o 140.3167 48.59556 683.6016       487.3647 0.000000       0.000000 683.6016       487.3647 ?        ?        140.3167 48.59556 0.000000       48.59556 
1 1 1 -24 20 12 o 40.54102 19.34463 -161.5795      128.1822 -44.83733      145.1243 -575.8328      273.3752 52.39808 23.34727 50.54700 24.99956 1.851078       34.20633 
1 1 1 -24 20 13 o 156.5137 15.22729 739.3141       138.0088 850.0745       159.5618 410.3867       274.9711 167.5473 16.45016 112.0531 36.48335 55.49419       40.02053 
1 1 1 -24 20 14 o 318.8125 11.72782 3021.966       218.9083 3306.216       303.4711 2713.604       316.0799 331.7401 15.64205 299.2516 18.09439 32.48853       23.91820 
1 1 1 -24 20 15 o 213.3475 13.09098 1361.741       163.0099 1369.319       198.1618 1345.879       286.6834 212.9162 15.98614 207.3700 24.01598 5.546204       28.85003 
1 1 1 -24 20 16 o 167.5222 15.78128 850.8539       153.2209 903.4393       188.7934 749.3826       262.2562 171.3963 19.10619 150.5463 30.74399 20.84998       36.19723 
1 1 1 -24 20 17 o 135.8663 17.11503 566.5820       133.3571 664.7017       157.7253 320.5737       249.7457 146.6960 18.76184 100.1154 34.78091 46.58060       39.51859 
1 1 1 -24 20 18 f 116.4342 20.00805 426.5837       131.7044 388.9295       158.6591 510.0357       236.1982 109.1112 25.28861 122.1564 32.43077 -13.04520      41.12504 
1 1 1 -24 20 19 o 203.2235 12.48296 1240.491       148.0612 1258.895       183.0023 1205.615       251.9268 203.4631 15.45183 195.3424 22.39454 8.120712       27.20798 
1 1 1 -24 20 20 o 164.7763 14.29694 825.5934       136.7959 786.0024       171.5013 894.8364       226.8076 158.7326 18.78630 166.5913 23.89764 -7.858704      30.39774 
1 1 1 -24 20 21 o 89.62827 21.65378 262.5469       112.5383 312.4204       133.7014 141.3381       208.4339 97.12704 23.68738 76.59419 30.63868 20.53284       38.72752 
1 1 1 -24 20 22 o 157.8538 13.81640 760.3121       126.6207 692.9884       154.7451 896.7145       220.2643 148.5931 18.13200 166.0176 23.25973 -17.42453      29.49211 
1 1 1 -24 20 23 o 164.9611 14.20044 833.5760       136.0474 912.0899       175.1564 714.1755       216.0010 170.6159 17.76461 145.4213 26.29422 25.19458       31.73275 
1 1 1 -24 20 24 o 53.36862 22.27299 37.56211       116.0778 -41.50446      140.3615 208.6397       206.4657 50.11669 22.59529 81.82732 31.12266 -31.71063      38.45995 
1 1 1 -24 20 25 o 58.10432 26.13598 -32.63348      186.5647 -58.83795      496.5544 -28.32632      201.3142 85.18351 39.85652 60.46076 27.17659 24.72275       48.24012 
1 1 1 -24 20 26 o 41.50407 19.21769 -71.78919      110.7950 -82.70231      523.0502 -71.27652      113.3676 84.76859 40.04733 42.10783 19.47700 42.66076       44.53248 
1 1 1 -24 20 27 o 103.5906 20.25340 355.0587       118.6349 258.4698       499.1143 360.8424       122.1352 94.71300 42.66327 104.1888 20.71762 -9.475838      47.42757 
1 1 1 -24 20 28 o 37.42587 18.12654 -171.8050      122.6734 -1140.346      503.1255 -110.5863      126.4909 59.26593 29.95151 41.77308 19.72251 17.49286       35.86182 
1 1 1 -24 20 29 o 123.3561 19.03043 498.6916       133.2532 732.7811       471.3318 478.3557       138.9207 116.6858 46.27066 119.7912 20.51107 -3.105408      50.61302 
1 1 1 -24 20 30 o 52.67317 22.39955 35.49619       120.9787 481.6691       518.2285 9.779437       124.4164 99.96796 44.35570 50.59548 22.11583 49.37248       49.56348 
1 1 1 -24 20 31 o 142.5692 15.82029 648.7427       130.0548 1436.989       472.3955 584.0977       135.2827 166.7590 46.53968 133.9174 17.65442 32.84157       49.77570 
1 1 1 -24 20 32 o 49.88001 22.42942 -16.34286      137.2769 -311.0971      447.7796 14.23390       144.2215 68.18537 33.37788 53.50421 23.58506 14.68116       40.86977 
1 1 1 -24 20 33 o 164.6265 14.54020 858.5514       138.9433 533.2521       506.1775 885.0592       144.4935 96.88489 43.35609 166.8364 14.92498 -69.95152      45.85309 
1 1 1 -24 20 34 o 50.60841 22.31746 11.33434       129.2566 -181.7835      447.4690 28.91525       135.0120 70.06419 34.09229 53.06911 23.12048 16.99508       41.19272 
1 1 1 -24 20 35 f 60.00040 24.71425 94.46333       140.3245 -245.8334      433.5682 134.2800       148.3068 66.78538 32.72411 65.07951 25.90691 1.705872       41.73770 
1 1 1 -24 20 36 o 52.94675 23.48474 17.31349       145.1578 -789.5703      424.6159 124.0893       154.4640 55.20660 27.85344 64.13221 26.11618 -8.925606      38.18205 
1 1 1 -24 20 37 o 76.08215 27.18353 226.7722       153.3555 372.4760       456.3768 208.2259       162.8234 85.38245 39.34540 73.58598 27.71729 11.79647       48.12805 
1 1 1 -24 21 1  f 135.5047 17.69508 559.6329       137.2671 682.6763       151.1251 -20.47296      328.1414 149.9205 17.51780 81.42757 35.74575 68.49298       39.80743 
1 1 1 -24 21 2  o 260.3408 12.02376 2013.250       183.0874 1991.565       218.4869 2064.385       335.5078 258.1885 14.48717 259.6929 22.24285 -1.504395      26.54473 
1 1 1 -24 21 3  o 346.1832 14.01029 3572.111       283.8609 3719.784       314.2515 2917.489       661.6406 352.7640 15.22532 297.2021 38.89165 55.56189       41.76566 
1 1 1 -24 21 4  o 103.0322 21.69611 333.6203       126.9507 283.7684       138.6407 592.3950       315.8718 94.45976 24.73771 132.7635 38.39719 -38.30379      45.67601 
1 1 1 -24 21 5  o 251.2659 22.96469 1940.839       334.6739 0.000000       0.000000 1940.839       334.6739 ?        ?        251.2659 22.96469 0.000000       22.96469 
1 1 1 -24 21 6  o 80.50767 23.96574 202.0735       121.5444 193.9476       132.4945 245.2278       305.3328 79.61977 25.26904 97.97382 37.70190 -18.35404      45.38676 
1 1 1 -24 21 7  o 273.0830 12.00438 2216.071       191.7885 2397.341       239.5411 1892.354       320.1104 283.2182 14.46938 248.3153 22.21535 34.90286       26.51198 
1 1 1 -24 21 8  o 220.7966 12.59612 1452.503       162.4330 1527.479       191.1885 1257.962       307.9680 225.8668 14.50982 199.8331 26.96524 26.03378       30.62122 
1 1 1 -24 21 9  o 160.7562 15.48311 779.5504       144.1708 744.7141       162.4838 908.4870       312.5952 156.3099 18.05600 166.2340 33.22611 -9.924103      37.81525 
1 1 1 -24 21 10 o 184.0925 14.49239 1017.411       155.2075 960.3674       180.4157 1179.830       304.4318 177.8724 17.52207 192.8212 27.71599 -14.94881      32.79023 
1 1 1 -24 21 11 o 129.8842 18.84166 519.5545       139.3393 555.3795       155.9185 377.4625       310.5200 133.8037 20.52306 109.6490 38.73125 24.15470       43.83270 
1 1 1 -24 21 12 o 73.42287 26.78612 144.5918       149.8634 167.8079       171.9010 71.05901       305.9309 78.51183 28.68101 83.84455 35.63647 -5.332726      45.74449 
1 1 1 -24 21 13 o 118.4503 46.96997 407.0086       485.6828 0.000000       0.000000 407.0086       485.6828 ?        ?        118.4503 46.96997 0.000000       46.96997 
1 1 1 -24 21 14 o 331.1472 13.15768 3276.876       255.0266 3452.928       316.9226 2953.438       429.5648 338.4314 16.01273 307.7427 23.99015 30.68869       28.84328 
1 1 1 -24 21 15 o 221.1602 13.13730 1465.711       169.6298 1708.799       211.1088 1022.803       284.9580 238.0116 15.20317 177.6411 28.30057 60.37059       32.12567 
1 1 1 -24 21 16 o 341.2634 11.30153 3468.752       225.8801 3237.792       305.2858 3748.142       335.7714 327.1848 15.95787 351.8380 16.31679 -24.65323      22.82304 
1 1 1 -24 21 17 o 290.8580 17.24884 2581.598       292.9118 0.000000       0.000000 2581.598       292.9118 ?        ?        290.8580 17.24884 0.000000       17.24884 
1 1 1 -24 21 18 o 82.85918 23.92871 223.2567       122.7574 210.5909       145.1854 255.0179       229.9082 81.23016 26.51441 90.68607 33.16261 -9.455910      42.45906 
1 1 1 -24 21 19 o 136.6297 16.64128 577.4708       130.5994 599.4074       158.1184 530.3787       231.6705 137.6213 20.19067 123.1340 31.84478 14.48727       37.70614 
1 1 1 -24 21 20 o 54.08958 21.93414 50.14528       108.4191 119.4415       126.3118 -143.7977      211.3130 65.95339 24.49947 55.97139 26.12672 9.982002       35.81661 
1 1 1 -24 21 21 o 45.58789 20.60282 -45.18311      117.5151 -221.0277      140.3313 367.5892       215.0034 39.28642 19.11075 101.6492 32.18068 -62.36274      37.42749 
1 1 1 -24 21 22 o 155.1410 14.80793 740.8747       133.0995 732.7084       168.7261 754.3285       216.5677 151.7917 19.39578 150.0229 25.52763 1.768738       32.06020 
1 1 1 -24 21 23 o 196.0568 12.08344 1164.329       138.2636 1146.766       175.7812 1192.824       223.9065 192.4768 15.70846 193.2205 20.05003 -0.7437286     25.47075 
1 1 1 -24 21 24 o 50.63955 21.46465 23.57957       110.4751 0.000000       0.000000 23.57957       110.4751 ?        ?        50.63955 21.46465 0.000000       21.46465 
1 1 1 -24 21 25 o 106.9570 20.74873 377.4428       125.4553 0.000000       0.000000 377.4428       125.4553 ?        ?        106.9570 20.74873 0.000000       20.74873 
1 1 1 -24 21 26 f 147.0678 16.07095 680.5839       136.3613 -418.9949      568.1123 747.8057       140.4677 77.31989 37.79555 154.4390 15.72768 -77.11915      40.93731 
1 1 1 -24 21 27 o 141.5310 15.90445 632.6282       129.7322 -211.6594      548.2921 682.6989       133.5237 79.94033 38.62161 147.2011 15.70916 -67.26078      41.69420 
1 1 1 -24 21 28 o 44.00304 20.36073 -69.69491      124.0483 -273.5431      477.4350 -54.93733      128.4601 73.63374 35.68615 45.96534 21.06841 27.66839       41.44127 
1 1 1 -24 21 29 o 124.5979 18.57931 508.4384       131.6220 784.8091       515.4254 489.1585       136.1356 115.7706 47.49139 121.3379 19.81358 -5.567345      51.45882 
1 1 1 -24 21 30 o 122.7236 19.03839 498.7755       132.5910 503.2637       488.1394 498.4180       137.7708 99.49274 43.63939 122.0293 19.93840 -22.53660      47.97850 
1 1 1 -24 21 31 o 79.70377 25.65722 232.6762       136.2253 865.9314       463.5686 172.8228       142.5178 119.8423 46.36525 70.94456 26.08258 48.89778       53.19810 
1 1 1 -24 21 32 o 156.2718 16.02484 785.7152       144.7890 1422.091       515.7225 731.2639       150.8563 151.1109 50.00583 149.4385 17.54664 1.672348       52.99498 
1 1 1 -24 21 33 o 143.4710 16.75970 670.4366       138.3665 697.3870       479.3241 667.9868       144.5189 104.7973 44.57658 142.4332 17.68006 -37.63597      47.95473 
1 1 1 -24 21 34 o 45.49975 21.04491 -55.43866      132.3308 165.2820       452.0833 -76.12246      138.3924 79.92576 37.59684 45.11437 21.08662 34.81139       43.10648 
1 1 1 -24 21 35 o 129.6163 20.08896 577.3574       147.7718 974.2894       491.0268 537.8281       154.9553 116.0731 46.81910 123.0107 22.29986 -6.937592      51.85857 
1 1 1 -24 21 36 o 46.11020 21.75059 -94.01089      153.2087 -248.5582      468.1320 -75.47157      162.1379 67.65806 33.32074 48.54475 22.73345 19.11331       40.33709 
1 1 1 -24 22 1  f 353.6525 12.01509 3713.849       248.8418 3873.660       327.5045 3495.575       382.7493 359.6824 15.56239 339.7629 19.28748 19.91953       24.78296 
1 1 1 -24 22 2  o 176.1113 14.16433 929.7353       145.0636 906.8666       161.7422 1023.780       327.9974 173.3721 16.09082 177.2045 32.76725 -3.832367      36.50489 
1 1 1 -24 22 3  o 338.4193 19.29156 3469.297       381.3030 0.000000       0.000000 3469.297       381.3030 ?        ?        338.4193 19.29156 0.000000       19.29156 
1 1 1 -24 22 4  o 295.1835 14.67671 2605.932       253.2837 2605.932       253.2837 0.000000       0.000000 295.1835 14.67671 ?        ?        0.000000       14.67671 
1 1 1 -24 22 5  o 158.6191 15.05401 757.8797       138.3656 819.3793       154.8748 514.6715       307.9879 164.6324 16.25215 123.9870 38.40956 40.64542       41.70644 
1 1 1 -24 22 6  o 56.85199 23.21479 43.38684       122.4536 87.13969       134.2540 -173.1915      298.6974 64.18645 24.91901 69.15005 31.85284 -4.963593      40.44207 
1 1 1 -24 22 7  o 197.8976 28.39359 1246.312       320.1158 0.000000       0.000000 1246.312       320.1158 ?        ?        197.8976 28.39359 0.000000       28.39359 
1 1 1 -24 22 8  o 355.9014 17.77119 3825.403       369.7607 0.000000       0.000000 3825.403       369.7607 ?        ?        355.9014 17.77119 0.000000       17.77119 
1 1 1 -24 22 9  o 97.56182 23.59848 304.0514       133.5376 367.5433       149.0851 46.38464       300.3337 107.1988 24.27894 81.65828 35.02364 25.54053       42.61599 
1 1 1 -24 22 10 o 97.36147 24.24976 304.1275       137.9432 266.7937       154.6257 449.6777       305.3073 91.30322 26.99406 116.2397 38.47557 -24.93649      47.00052 
1 1 1 -24 22 11 o 117.6355 22.67454 438.4675       150.7612 375.3539       171.2946 655.3934       317.5689 107.3427 27.18510 137.6007 38.06712 -30.25798      46.77750 
1 1 1 -24 22 12 o 172.7888 16.92837 908.7818       169.3474 913.9946       199.2445 895.2158       321.4236 172.0149 20.13041 162.6465 34.75140 9.368423       40.16084 
1 1 1 -24 22 13 o 45.84742 21.28546 -106.3107      137.2958 11.10024       155.9340 -511.2683      289.5952 58.91174 25.25143 54.25706 26.61805 4.654675       36.68999 
1 1 1 -24 22 14 o 235.2928 13.76360 1663.550       189.0996 1636.495       218.7852 1743.450       375.9819 232.3133 16.15879 232.3897 28.16053 -0.7644653E-01 32.46724 
1 1 1 -24 22 15 o 220.3948 40.89356 1741.723       509.1186 0.000000       0.000000 1741.723       509.1186 ?        ?        220.3948 40.89356 0.000000       40.89356 
1 1 1 -24 22 16 o 150.7329 15.99482 695.8597       139.2405 766.3496       166.2124 529.9764       254.9773 157.2334 18.37051 122.9118 34.15059 34.32151       38.77806 
1 1 1 -24 22 17 o 77.97018 23.99034 195.7292       120.3933 74.93929       141.7785 508.0037       227.9624 62.55863 25.18460 120.8358 31.75751 -58.27718      40.53152 
1 1 1 -24 22 18 o 236.7352 12.22063 1686.218       169.0965 1673.932       200.0111 1717.005       316.6141 234.6007 14.60948 231.0788 23.69790 3.521942       27.83932 
1 1 1 -24 22 19 f 68.24655 23.75417 141.0890       116.5195 49.03934       136.8266 384.0056       222.2738 58.46505 24.27299 103.9527 32.69545 -45.48761      40.72065 
1 1 1 -24 22 20 o 125.2920 17.59477 493.7867       125.7302 603.4790       155.0786 283.3801       214.7798 137.5627 19.79095 91.29974 32.21507 46.26296       37.80863 
1 1 1 -24 22 21 o 128.3889 15.48696 511.8258       114.2594 475.1686       134.3251 607.7686       217.3123 121.7479 19.46799 131.9066 28.89232 -10.15874      34.83918 
1 1 1 -24 22 22 o 100.2778 20.14845 328.1569       114.3778 0.000000       0.000000 328.1569       114.3778 ?        ?        100.2778 20.14845 0.000000       20.14845 
1 1 1 -24 22 23 o 173.7294 12.99540 921.4274       131.4484 0.000000       0.000000 921.4274       131.4484 ?        ?        173.7294 12.99540 0.000000       12.99540 
1 1 1 -24 22 24 o 71.69476 24.37046 167.7836       122.4151 0.000000       0.000000 167.7836       122.4151 ?        ?        71.69476 24.37046 0.000000       24.37046 
1 1 1 -24 22 25 o 118.2970 17.55243 448.4887       118.0886 0.000000       0.000000 448.4887       118.0886 ?        ?        118.2970 17.55243 0.000000       17.55243 
1 1 1 -24 22 26 o 41.35057 19.44205 -98.95589      120.6429 0.000000       0.000000 -98.95589      120.6429 ?        ?        41.35057 19.44205 0.000000       19.44205 
1 1 1 -24 22 27 o 45.62901 20.65339 -35.90246      118.6359 72.48345       522.7415 -41.78814      121.8145 86.18616 40.50621 45.75154 20.79559 40.43462       45.53251 
1 1 1 -24 22 28 o 61.71534 24.33329 102.8016       129.6710 -251.0440      545.0506 124.0305       133.5041 77.10652 37.54317 64.77284 24.92893 12.33368       45.06597 
1 1 1 -24 22 29 o 44.54397 20.70094 -74.33012      130.3582 -253.3661      502.8996 -61.43391      134.9715 73.85901 35.98438 46.30488 21.35914 27.55413       41.84601 
1 1 1 -24 22 30 o 145.5866 16.59571 683.4183       139.1720 839.4047       534.5831 672.0776       144.1423 113.3936 47.59352 143.6869 17.46317 -30.29330      50.69621 
1 1 1 -24 22 31 f 166.1235 14.81298 875.6600       142.8069 1454.095       510.9498 826.6459       148.7343 155.0343 49.66916 160.3581 16.02961 -5.323792      52.19170 
1 1 1 -24 22 32 o 74.01859 25.72457 199.8205       136.6259 292.6321       489.4402 191.9771       142.2818 86.76451 40.24985 72.90210 26.16767 13.86241       48.00830 
1 1 1 -24 22 33 o 131.2622 19.09614 581.0233       142.6985 756.4448       478.7869 563.9217       149.4925 106.3105 44.85503 127.9669 20.61975 -21.65643      49.36748 
1 1 1 -24 22 34 o 162.1016 15.85155 851.3366       148.7748 1308.748       522.3015 810.9468       155.2043 134.3136 49.83297 156.9586 17.13858 -22.64496      52.69778 
1 1 1 -24 22 35 o 50.35518 22.82670 -14.68831      145.5690 414.1948       474.6218 -59.22174      152.9401 88.04916 40.40932 48.30035 22.43836 39.74880       46.22113 
1 1 1 -24 23 1  o 212.3195 13.20751 1346.825       163.6460 1380.305       187.0300 1237.488       337.9906 214.3942 14.96871 195.9845 30.38908 18.40970       33.87564 
1 1 1 -24 23 2  o 223.3131 13.13346 1489.186       171.2467 1291.447       186.0426 2586.115       438.1827 207.1864 15.42149 287.4659 26.28115 -80.27954      30.47165 
1 1 1 -24 23 3  o 352.3870 11.98817 3691.397       247.3946 3746.282       317.7707 3606.939       394.1885 353.4682 15.36568 344.4563 19.59360 9.011932       24.90006 
1 1 1 -24 23 4  o 264.7858 12.02198 2086.475       186.2030 1767.527       216.9758 2977.785       362.7152 242.5351 15.33256 312.6497 19.88445 -70.11452      25.10934 
1 1 1 -24 23 5  o 102.9567 22.27464 336.0718       130.5832 341.4573       144.5991 312.2616       304.0411 103.2620 24.28659 103.0202 38.05770 0.2417297      45.14672 
1 1 1 -24 23 6  o 285.4267 20.73499 2495.221       344.7285 0.000000       0.000000 2495.221       344.7285 ?        ?        285.4267 20.73499 0.000000       20.73499 
1 1 1 -24 23 7  o 130.3640 18.30298 523.0743       136.0871 403.3958       152.3004 997.0989       303.1053 112.4074 23.84222 174.8510 30.67615 -62.44360      38.85199 
1 1 1 -24 23 8  o 236.1292 13.43172 1668.796       185.2409 1557.185       205.7639 2146.057       425.4947 227.2946 15.52910 259.3229 28.44331 -32.02834      32.40640 
1 1 1 -24 23 9  o 113.9791 22.73232 412.9856       146.6250 417.8832       159.4738 386.2141       372.8506 114.0285 24.57193 111.7401 41.97423 2.288376       48.63760 
1 1 1 -24 23 10 o 62.51374 24.64711 78.48943       133.0325 49.42935       148.5688 196.0407       298.8085 61.55262 25.39941 91.68880 36.68186 -30.13618      44.61714 
1 1 1 -24 23 11 o 174.9247 15.35269 926.7887       155.9061 895.5286       180.5825 1018.298       308.9680 170.7911 18.31420 175.4193 31.17432 -4.628204      36.15588 
1 1 1 -24 23 12 o 89.40452 24.36187 258.8209       131.1920 327.1345       145.4294 -39.72176      304.0197 100.2413 24.85978 75.56564 33.72316 24.67562       41.89582 
1 1 1 -24 23 13 o 73.80503 25.55486 162.2857       134.7712 205.2689       152.9614 13.12042       284.9486 81.19914 27.24249 76.20044 33.38467 4.998703       43.08932 
1 1 1 -24 23 14 o 141.6390 17.38948 619.8174       141.4231 734.9282       166.9922 327.8703       265.9442 153.7094 18.92344 100.0536 35.79180 53.65576       40.48641 
1 1 1 -24 23 15 o 114.8827 20.62691 420.6932       133.8687 475.1816       158.0748 282.5160       251.7265 121.1381 23.09278 94.32909 34.66680 26.80898       41.65409 
1 1 1 -24 23 16 o 242.5731 11.42828 1763.699       162.1255 1516.009       200.9923 2225.001       274.2945 222.8365 15.47567 268.7233 17.49968 -45.88684      23.36097 
1 1 1 -24 23 17 o 282.6820 28.46201 2671.999       465.4445 0.000000       0.000000 2671.999       465.4445 ?        ?        282.6820 28.46201 0.000000       28.46201 
1 1 1 -24 23 18 o 130.7234 17.39021 535.2776       130.0199 460.1855       158.3553 690.6335       227.7714 117.9445 23.71607 142.0620 28.33237 -24.11758      36.94828 
1 1 1 -24 23 19 o 97.47548 20.62593 309.8869       114.2285 471.3704       133.5267 -130.8087      220.5837 121.4220 19.40372 57.60946 26.82534 63.81249       33.10744 
1 1 1 -24 23 20 o 161.7404 12.85068 796.4202       120.8962 0.000000       0.000000 796.4202       120.8962 ?        ?        161.7404 12.85068 0.000000       12.85068 
1 1 1 -24 23 21 o 109.4820 19.13679 386.3601       118.4038 0.000000       0.000000 386.3601       118.4038 ?        ?        109.4820 19.13679 0.000000       19.13679 
1 1 1 -24 23 22 o 138.3291 15.50158 596.2902       123.5986 0.000000       0.000000 596.2902       123.5986 ?        ?        138.3291 15.50158 0.000000       15.50158 
1 1 1 -24 23 23 o 105.0862 20.50494 364.2487       121.8344 0.000000       0.000000 364.2487       121.8344 ?        ?        105.0862 20.50494 0.000000       20.50494 
1 1 1 -24 23 24 o 86.58642 22.52244 256.2029       115.4375 0.000000       0.000000 256.2029       115.4375 ?        ?        86.58642 22.52244 0.000000       22.52244 
1 1 1 -24 23 25 o 44.66626 20.49681 -57.28562      122.0643 0.000000       0.000000 -57.28562      122.0643 ?        ?        44.66626 20.49681 0.000000       20.49681 
1 1 1 -24 23 26 o 67.33068 24.51241 144.3313       125.4077 0.000000       0.000000 144.3313       125.4077 ?        ?        67.33068 24.51241 0.000000       24.51241 
1 1 1 -24 23 27 o 104.6517 22.37760 377.4613       133.1846 0.000000       0.000000 377.4613       133.1846 ?        ?        104.6517 22.37760 0.000000       22.37760 
1 1 1 -24 23 28 o 71.10271 25.20281 173.0278       131.5756 0.000000       0.000000 173.0278       131.5756 ?        ?        71.10271 25.20281 0.000000       25.20281 
1 1 1 -24 23 29 o 200.9249 12.38972 1246.736       145.2875 890.3246       476.1187 1283.332       152.5642 120.8472 46.92420 203.4764 12.85026 -82.62921      48.65192 
1 1 1 -24 23 30 o 146.9826 22.70031 753.2687       189.3841 1635.180       518.8671 617.7212       203.4181 168.6466 49.33905 127.6724 27.94442 40.97418       56.70302 
1 1 1 -24 23 31 o 159.4582 15.73042 816.5115       145.1945 1247.830       498.5677 776.5409       151.7731 139.4904 49.09393 154.3355 17.05190 -14.84509      51.97097 
1 1 1 -24 23 32 o 78.06481 26.24861 230.4894       141.9984 563.4638       537.4867 205.5053       147.2293 95.50439 43.51570 74.39263 26.62872 21.11176       51.01671 
1 1 1 -24 23 33 o 187.0303 14.79963 1117.603       161.0131 782.6215       499.9165 1156.375       170.0760 105.2104 45.15693 189.5951 15.42881 -84.38469      47.71998 
1 1 1 -24 23 34 o 47.72475 21.89678 -37.84210      139.2317 -22.77448      456.2552 -39.38934      146.2056 73.28433 35.36277 48.68538 22.37469 24.59895       41.84677 
1 1 1 -24 24 1  f 253.6663 12.73316 1921.262       188.8245 1951.591       223.1224 1844.727       354.4439 254.7896 14.99809 242.2989 25.31594 12.49069       29.42515 
1 1 1 -24 24 2  o 192.1464 13.90301 1108.518       155.6125 1125.723       175.9410 1046.706       333.4893 193.0355 15.67580 177.4810 33.26083 15.55449       36.76973 
1 1 1 -24 24 3  o 280.3580 12.26953 2343.378       201.2513 2338.496       242.7974 2354.097       359.7509 278.9861 14.89318 275.7913 22.43547 3.194855       26.92875 
1 1 1 -24 24 4  f 333.6751 11.90628 3315.189       232.6236 2951.292       281.8331 4093.026       412.0471 313.2062 15.39015 366.4324 19.24097 -53.22614      24.63883 
1 1 1 -24 24 5  o 99.17429 24.42668 317.2126       141.1240 390.4832       156.6919 2.470969       324.7570 110.0233 24.87003 80.96486 35.55120 29.05844       43.38671 
1 1 1 -24 24 6  o 190.5457 14.28779 1092.929       158.5041 922.0938       179.8169 1688.166       335.6497 173.6292 17.91558 231.3725 25.13932 -57.74321      30.86995 
1 1 1 -24 24 7  o 65.48803 24.80669 104.0230       130.8455 175.9832       145.0399 -210.5808      303.2655 76.96944 26.51695 67.16686 31.33494 9.802574       41.04908 
1 1 1 -24 24 8  f 269.6329 21.36902 2250.559       335.1539 0.000000       0.000000 2250.559       335.1539 ?        ?        269.6329 21.36902 0.000000       21.36902 
1 1 1 -24 24 9  o 60.43616 24.03366 69.95348       127.5070 34.23587       141.3052 226.5130       295.8400 58.57638 24.51959 93.33400 36.76834 -34.75762      44.19413 
1 1 1 -24 24 10 o 34.33718 16.88376 -234.7969      118.6324 -160.3186      128.9214 -646.3228      303.0460 40.48009 19.33884 52.12200 25.87346 -11.64191      32.30212 
1 1 1 -24 24 11 o 117.0419 21.19321 435.5993       140.1206 449.4286       157.5557 383.2834       306.4446 117.9155 23.60728 106.9595 38.40179 10.95590       45.07772 
1 1 1 -24 24 12 o 83.34473 25.16647 225.4771       133.3148 200.9298       149.5969 320.1876       293.8459 80.05649 26.94190 100.0798 37.33041 -20.02332      46.03721 
1 1 1 -24 24 13 o 123.3744 19.33459 479.6154       135.3053 502.7824       154.0203 401.2866       283.2072 125.2904 21.74934 107.1905 37.04821 18.09997       42.96048 
1 1 1 -24 24 14 o 69.43509 24.52272 142.7415       124.4774 193.2889       142.0266 -24.72157      258.5115 78.12114 26.25109 69.60654 31.07809 8.514595       40.68129 
1 1 1 -24 24 15 o 226.6667 12.27307 1547.848       162.5431 1521.653       203.8371 1593.591       269.3656 222.8665 15.69547 224.6489 20.67681 -1.782440      25.95916 
1 1 1 -24 24 16 o 203.3262 11.85664 1245.636       140.7723 1173.280       170.2808 1401.853       250.2027 195.7799 14.94311 210.3231 20.54575 -14.54317      25.40520 
1 1 1 -24 24 17 o 111.2513 36.20811 462.8028       270.8517 0.000000       0.000000 462.8028       270.8517 ?        ?        111.2513 36.20811 0.000000       36.20811 
1 1 1 -24 24 18 o 145.8680 13.29724 649.7725       112.5061 0.000000       0.000000 649.7725       112.5061 ?        ?        145.8680 13.29724 0.000000       13.29724 
1 1 1 -24 24 19 o 136.8347 43.44195 800.1352       391.5687 0.000000       0.000000 800.1352       391.5687 ?        ?        136.8347 43.44195 0.000000       43.44195 
1 1 1 -24 24 20 o 79.41222 23.88791 212.0043       120.2783 0.000000       0.000000 212.0043       120.2783 ?        ?        79.41222 23.88791 0.000000       23.88791 
1 1 1 -24 24 21 o 109.7355 18.94316 389.2509       117.5079 0.000000       0.000000 389.2509       117.5079 ?        ?        109.7355 18.94316 0.000000       18.94316 
1 1 1 -24 24 22 o 52.68249 22.04832 38.16527       114.2245 0.000000       0.000000 38.16527       114.2245 ?        ?        52.68249 22.04832 0.000000       22.04832 
1 1 1 -24 24 23 o 86.84621 23.13713 259.9103       119.9576 0.000000       0.000000 259.9103       119.9576 ?        ?        86.84621 23.13713 0.000000       23.13713 
1 1 1 -24 24 24 o 84.06853 23.84317 246.5801       122.9535 0.000000       0.000000 246.5801       122.9535 ?        ?        84.06853 23.84317 0.000000       23.84317 
1 1 1 -24 24 25 o 77.19143 25.04205 208.1689       129.6141 0.000000       0.000000 208.1689       129.6141 ?        ?        77.19143 25.04205 0.000000       25.04205 
1 1 1 -24 24 26 o 125.9388 18.08331 516.3975       129.7377 0.000000       0.000000 516.3975       129.7377 ?        ?        125.9388 18.08331 0.000000       18.08331 
1 1 1 -24 24 27 o 57.44904 23.80038 68.11993       131.1587 0.000000       0.000000 68.11993       131.1587 ?        ?        57.44904 23.80038 0.000000       23.80038 
1 1 1 -24 24 28 o 136.8400 18.25810 615.2596       142.8743 0.000000       0.000000 615.2596       142.8743 ?        ?        136.8400 18.25810 0.000000       18.25810 
1 1 1 -24 24 29 o 80.37172 26.09867 240.3645       140.7637 0.000000       0.000000 240.3645       140.7637 ?        ?        80.37172 26.09867 0.000000       26.09867 
1 1 1 -24 24 30 o 156.8570 17.37763 804.6620       157.1835 0.000000       0.000000 804.6620       157.1835 ?        ?        156.8570 17.37763 0.000000       17.37763 
1 1 1 -24 24 31 o 52.76779 23.52406 6.903715       147.5262 1143.087       550.1539 -81.12544      153.1346 122.8726 49.55923 47.31702 22.13737 75.55556       54.27873 
1 1 1 -24 24 32 o 66.42658 26.39888 143.2298       153.7433 824.2452       510.4985 75.30126       161.2287 106.8866 45.74933 60.04124 25.70481 46.84534       52.47607 
1 1 1 -24 24 33 o 69.83017 26.37669 175.0163       147.6878 1318.541       457.5176 41.99880       156.0412 146.8638 46.99516 56.38838 24.70479 90.47539       53.09305 
1 1 1 -24 25 1  o 65.08850 23.47454 115.4616       114.6601 123.0642       123.1076 65.69871       314.9615 67.16110 24.31015 83.27766 35.79463 -16.11655      43.26938 
1 1 1 -24 25 2  o 173.7955 31.76823 1007.184       311.8755 0.000000       0.000000 1007.184       311.8755 ?        ?        173.7955 31.76823 0.000000       31.76823 
1 1 1 -24 25 3  o 92.12743 24.38117 275.1414       133.7651 227.8569       147.4707 494.6422       317.7346 84.59860 26.63472 119.1687 39.24254 -34.57010      47.42769 
1 1 1 -24 25 4  o 106.2560 21.22279 358.9960       127.6216 417.0050       139.7748 68.26064       312.9178 114.5835 21.59146 83.04840 35.68695 31.53507       41.71030 
1 1 1 -24 25 5  o 191.7506 13.91141 1108.241       155.3799 957.9003       176.8077 1618.164       325.6231 176.8950 17.26195 225.6215 25.02903 -48.72649      30.40439 
1 1 1 -24 25 6  o 125.8886 20.81713 499.9304       148.3273 611.1643       170.2007 148.6809       302.4480 139.1357 21.55455 87.31937 36.15552 51.81636       42.09299 
1 1 1 -24 25 7  o 380.3268 12.02919 4322.917       267.9768 4680.450       373.1480 3942.141       385.0868 392.7538 16.23482 358.7100 18.36592 34.04382       24.51278 
1 1 1 -24 25 8  o 40.94278 19.21432 -108.7772      116.8786 -66.47688      127.7402 -326.2605      289.6469 46.49679 21.19676 59.87288 28.70616 -13.37609      35.68398 
1 1 1 -24 25 9  o 70.89779 24.40815 150.8097       122.8810 49.59883       137.0727 565.0627       277.3129 59.15499 24.40219 125.8480 35.84639 -66.69302      43.36393 
1 1 1 -24 25 10 o 79.43775 25.29487 202.2879       132.6737 184.7988       147.9948 273.8779       299.4256 77.49172 26.78179 95.81538 37.20996 -18.32365      45.84588 
1 1 1 -24 25 11 o 193.5632 13.43008 1133.160       151.5132 1117.581       172.3017 1186.290       318.1853 191.2688 15.49264 187.5748 29.92896 3.694046       33.70110 
1 1 1 -24 25 12 o 213.7059 12.67224 1377.490       158.1124 1415.878       186.0550 1277.699       299.9777 215.5934 14.80471 196.8349 26.67142 18.75845       30.50482 
1 1 1 -24 25 13 o 97.45556 22.78847 312.8450       127.9081 374.5201       144.9153 95.37812       272.1169 106.3536 23.82578 78.55061 33.50525 27.80297       41.11288 
1 1 1 -24 25 14 o 171.0482 14.31940 893.8610       142.3291 881.0466       167.1279 927.6873       271.5357 168.3583 17.16629 164.6548 29.18763 3.703506       33.86147 
1 1 1 -24 25 15 o 107.0733 35.30524 421.5947       257.1453 0.000000       0.000000 421.5947       257.1453 ?        ?        107.0733 35.30524 0.000000       35.30524 
1 1 1 -24 25 16 o 74.41596 21.79671 181.5856       101.2127 0.000000       0.000000 181.5856       101.2127 ?        ?        74.41596 21.79671 0.000000       21.79671 
1 1 1 -24 25 17 o 125.8761 16.72141 497.2301       120.3925 0.000000       0.000000 497.2301       120.3925 ?        ?        125.8761 16.72141 0.000000       16.72141 
1 1 1 -24 25 18 f 107.1230 19.33596 370.8084       117.0093 0.000000       0.000000 370.8084       117.0093 ?        ?        107.1230 19.33596 0.000000       19.33596 
1 1 1 -24 25 19 o 51.33733 21.85719 22.13096       115.4270 0.000000       0.000000 22.13096       115.4270 ?        ?        51.33733 21.85719 0.000000       21.85719 
1 1 1 -24 25 20 o 40.74403 19.07245 -91.20889      113.9227 0.000000       0.000000 -91.20889      113.9227 ?        ?        40.74403 19.07245 0.000000       19.07245 
1 1 1 -24 25 21 o 88.04574 31.08191 279.4169       199.9546 0.000000       0.000000 279.4169       199.9546 ?        ?        88.04574 31.08191 0.000000       31.08191 
1 1 1 -24 25 22 o 82.78938 23.43331 237.0575       118.8835 0.000000       0.000000 237.0575       118.8835 ?        ?        82.78938 23.43331 0.000000       23.43331 
1 1 1 -24 25 23 o 42.00652 19.58217 -81.42867      118.0766 0.000000       0.000000 -81.42867      118.0766 ?        ?        42.00652 19.58217 0.000000       19.58217 
1 1 1 -24 25 24 o 81.16146 23.04292 229.3685       114.7778 0.000000       0.000000 229.3685       114.7778 ?        ?        81.16146 23.04292 0.000000       23.04292 
1 1 1 -24 25 25 o 67.36806 24.06702 148.6690       120.2039 0.000000       0.000000 148.6690       120.2039 ?        ?        67.36806 24.06702 0.000000       24.06702 
1 1 1 -24 25 26 o 110.2886 20.76013 412.7252       129.3538 0.000000       0.000000 412.7252       129.3538 ?        ?        110.2886 20.76013 0.000000       20.76013 
1 1 1 -24 25 27 o 138.7859 17.81372 629.6591       141.6549 0.000000       0.000000 629.6591       141.6549 ?        ?        138.7859 17.81372 0.000000       17.81372 
1 1 1 -24 25 28 o 64.34141 25.65179 121.5042       145.6161 0.000000       0.000000 121.5042       145.6161 ?        ?        64.34141 25.65179 0.000000       25.65179 
1 1 1 -24 25 29 o 70.77410 26.39732 174.8915       146.9259 0.000000       0.000000 174.8915       146.9259 ?        ?        70.77410 26.39732 0.000000       26.39732 
1 1 1 -24 25 30 o 70.70387 26.90345 175.9659       154.3214 0.000000       0.000000 175.9659       154.3214 ?        ?        70.70387 26.90345 0.000000       26.90345 
1 1 1 -24 25 31 o 73.05692 27.56664 196.9829       161.2176 0.000000       0.000000 196.9829       161.2176 ?        ?        73.05692 27.56664 0.000000       27.56664 
1 1 1 -24 25 32 o 62.23842 26.38445 95.27379       166.9576 0.000000       0.000000 95.27379       166.9576 ?        ?        62.23842 26.38445 0.000000       26.38445 
1 1 1 -24 25 33 f 85.65845 26.76016 291.0070       149.1523 308.9987       478.2986 289.0690       156.9801 83.27897 39.01432 84.72074 27.56470 -1.441772      47.76955 
1 1 1 -24 26 1  o 243.9235 12.25038 1783.909       174.6872 1776.277       205.3854 1803.871       332.1554 242.3307 14.51799 238.0024 24.12938 4.328323       28.16023 
1 1 1 -24 26 2  o 138.3854 16.50404 589.2889       131.3096 511.7130       145.3918 932.5604       305.8406 127.3856 20.12910 164.8782 32.78333 -37.49256      38.46983 
1 1 1 -24 26 3  o 339.1381 11.30559 3434.654       224.5500 3184.194       284.0212 3852.201       366.7198 324.3237 14.97252 354.6236 17.68843 -30.29990      23.17449 
1 1 1 -24 26 4  o 241.9354 13.18556 1762.179       186.3819 1730.640       197.5983 2016.571       561.1852 239.2886 14.14334 233.4189 42.56163 5.869659       44.85005 
1 1 1 -24 26 5  o 153.8766 14.80393 721.5073       131.9513 669.5898       146.9056 938.2747       300.1779 147.1602 17.35490 165.5121 32.08267 -18.35188      36.47588 
1 1 1 -24 26 6  o 275.0852 20.42535 2361.788       327.1729 0.000000       0.000000 2361.788       327.1729 ?        ?        275.0852 20.42535 0.000000       20.42535 
1 1 1 -24 26 7  o 55.92925 23.41077 34.26649       128.8077 50.31671       143.5003 -32.29230      292.2235 60.03199 24.88493 73.27019 32.85379 -13.23819      41.21445 
1 1 1 -24 26 8  o 138.0725 16.98302 591.0903       134.6282 622.5222       152.5325 480.2849       286.3895 140.8468 18.94569 114.8556 37.22105 25.99129       41.76537 
1 1 1 -24 26 9  o 42.03382 19.44782 -79.11308      113.1367 -24.69280      124.1453 -345.7800      274.8112 48.99421 21.72575 56.49303 27.30552 -7.498825      34.89412 
1 1 1 -24 26 10 o 58.81850 22.96513 78.32024       114.5391 98.29281       125.9753 -16.94114      275.1230 63.02641 24.22641 71.60884 32.01035 -8.582432      40.14451 
1 1 1 -24 26 11 o 168.0822 14.00434 861.3055       136.7963 883.3022       154.2577 780.3112       296.0023 169.4112 15.70457 146.3425 34.96735 23.06873       38.33209 
1 1 1 -24 26 12 o 71.78996 32.06765 -6.984648      275.5691 0.000000       0.000000 -6.984648      275.5691 ?        ?        71.78996 32.06765 0.000000       32.06765 
1 1 1 -24 26 13 o 68.62271 21.84109 150.3061       98.92565 0.000000       0.000000 150.3061       98.92565 ?        ?        68.62271 21.84109 0.000000       21.84109 
1 1 1 -24 26 14 o 87.47597 22.07721 253.8948       113.2494 0.000000       0.000000 253.8948       113.2494 ?        ?        87.47597 22.07721 0.000000       22.07721 
1 1 1 -24 26 15 o 155.7019 13.42631 740.9297       121.4066 0.000000       0.000000 740.9297       121.4066 ?        ?        155.7019 13.42631 0.000000       13.42631 
1 1 1 -24 26 16 o 150.5026 14.44944 697.8479       125.9748 0.000000       0.000000 697.8479       125.9748 ?        ?        150.5026 14.44944 0.000000       14.44944 
1 1 1 -24 26 17 o 176.5533 12.82528 950.2584       131.8930 0.000000       0.000000 950.2584       131.8930 ?        ?        176.5533 12.82528 0.000000       12.82528 
1 1 1 -24 26 18 o 57.80446 23.24453 71.05942       120.6304 0.000000       0.000000 71.05942       120.6304 ?        ?        57.80446 23.24453 0.000000       23.24453 
1 1 1 -24 26 19 o 129.8055 15.59092 528.3540       116.3176 0.000000       0.000000 528.3540       116.3176 ?        ?        129.8055 15.59092 0.000000       15.59092 
1 1 1 -24 26 20 o 79.58129 24.03769 218.3454       121.6103 0.000000       0.000000 218.3454       121.6103 ?        ?        79.58129 24.03769 0.000000       24.03769 
1 1 1 -24 26 21 o 98.62834 22.00176 330.8813       124.0272 0.000000       0.000000 330.8813       124.0272 ?        ?        98.62834 22.00176 0.000000       22.00176 
1 1 1 -24 26 22 o 92.31546 22.87024 294.8476       123.1784 0.000000       0.000000 294.8476       123.1784 ?        ?        92.31546 22.87024 0.000000       22.87024 
1 1 1 -24 26 23 o 58.79537 24.00565 76.58137       130.9211 0.000000       0.000000 76.58137       130.9211 ?        ?        58.79537 24.00565 0.000000       24.00565 
1 1 1 -24 26 24 o 142.5025 16.75867 651.6685       137.3851 0.000000       0.000000 651.6685       137.3851 ?        ?        142.5025 16.75867 0.000000       16.75867 
1 1 1 -24 26 25 o 54.25516 23.12124 41.34554       129.3772 0.000000       0.000000 41.34554       129.3772 ?        ?        54.25516 23.12124 0.000000       23.12124 
1 1 1 -24 26 26 o 102.4916 23.54220 374.0713       138.5262 0.000000       0.000000 374.0713       138.5262 ?        ?        102.4916 23.54220 0.000000       23.54220 
1 1 1 -24 26 27 o 67.09378 25.54640 147.2509       139.2023 0.000000       0.000000 147.2509       139.2023 ?        ?        67.09378 25.54640 0.000000       25.54640 
1 1 1 -24 26 28 o 75.88718 26.66859 212.6906       147.0798 0.000000       0.000000 212.6906       147.0798 ?        ?        75.88718 26.66859 0.000000       26.66859 
1 1 1 -24 26 29 o 103.3801 25.87413 402.9820       156.4887 0.000000       0.000000 402.9820       156.4887 ?        ?        103.3801 25.87413 0.000000       25.87413 
1 1 1 -24 26 30 f 121.3828 23.39903 530.8799       160.5347 0.000000       0.000000 530.8799       160.5347 ?        ?        121.3828 23.39903 0.000000       23.39903 
1 1 1 -24 26 31 o 66.48824 27.30442 136.4728       170.6101 0.000000       0.000000 136.4728       170.6101 ?        ?        66.48824 27.30442 0.000000       27.30442 
1 1 1 -24 26 32 o 96.31490 27.57034 371.9635       163.6481 0.000000       0.000000 371.9635       163.6481 ?        ?        96.31490 27.57034 0.000000       27.57034 
1 1 1 -24 27 1  o 117.9395 17.25922 434.3238       115.8465 438.4287       125.7927 411.4018       297.2539 117.8509 18.83377 107.4901 37.90139 10.36074       42.32288 
1 1 1 -24 27 2  o 150.6142 14.66168 693.2582       127.8718 690.1585       141.4948 707.0699       298.6808 149.5271 16.40404 139.1015 36.25083 10.42558       39.78963 
1 1 1 -24 27 3  o 198.0173 12.16501 1180.681       140.5933 1077.617       159.2282 1545.303       299.4950 188.0872 14.54778 219.1620 23.67635 -31.07472      27.78862 
1 1 1 -24 27 4  o 250.3898 11.74200 1882.660       171.9483 1983.135       205.6684 1649.359       313.3976 255.8913 13.75500 226.0997 24.00061 29.79160       27.66278 
1 1 1 -24 27 5  o 149.4440 14.71070 683.5850       127.2629 708.2451       142.0100 583.0076       286.7946 151.4609 16.24034 125.4767 36.67387 25.98421       40.10887 
1 1 1 -24 27 6  o 87.61839 23.18128 253.6833       120.9447 235.5641       133.9622 333.5576       281.2651 84.28416 25.17719 99.04364 36.60165 -14.75948      44.42490 
1 1 1 -24 27 7  o 177.9655 14.74816 968.4907       152.5493 1128.316       180.7116 572.1994       284.5575 191.3538 16.25642 123.8760 36.61826 67.47780       40.06455 
1 1 1 -24 27 8  o 131.9424 18.49110 548.8780       139.1637 753.6500       159.4302 -106.4556      285.2111 155.2790 17.82994 67.58618 31.12994 87.69283       35.87450 
1 1 1 -24 27 9  o 75.09944 32.90891 44.48215       277.0092 0.000000       0.000000 44.48215       277.0092 ?        ?        75.09944 32.90891 0.000000       32.90891 
1 1 1 -24 27 10 o 60.41536 20.77793 109.1574       89.03967 0.000000       0.000000 109.1574       89.03967 ?        ?        60.41536 20.77793 0.000000       20.77793 
1 1 1 -24 27 11 f 58.74627 21.53785 95.23278       97.07111 0.000000       0.000000 95.23278       97.07111 ?        ?        58.74627 21.53785 0.000000       21.53785 
1 1 1 -24 27 12 o 50.09741 21.07898 25.32481       105.2687 0.000000       0.000000 25.32481       105.2687 ?        ?        50.09741 21.07898 0.000000       21.07898 
1 1 1 -24 27 13 o 75.57430 23.13904 188.7085       112.1728 0.000000       0.000000 188.7085       112.1728 ?        ?        75.57430 23.13904 0.000000       23.13904 
1 1 1 -24 27 14 o 116.3533 17.56080 429.3624       116.1048 0.000000       0.000000 429.3624       116.1048 ?        ?        116.3533 17.56080 0.000000       17.56080 
1 1 1 -24 27 15 o 67.82896 23.18662 145.3504       110.8364 0.000000       0.000000 145.3504       110.8364 ?        ?        67.82896 23.18662 0.000000       23.18662 
1 1 1 -24 27 16 o 131.5696 16.97610 547.0282       127.9419 0.000000       0.000000 547.0282       127.9419 ?        ?        131.5696 16.97610 0.000000       16.97610 
1 1 1 -24 27 17 o 94.09363 23.37753 302.6684       128.4326 0.000000       0.000000 302.6684       128.4326 ?        ?        94.09363 23.37753 0.000000       23.37753 
1 1 1 -24 27 18 o 56.74771 23.43579 58.35464       126.6238 0.000000       0.000000 58.35464       126.6238 ?        ?        56.74771 23.43579 0.000000       23.43579 
1 1 1 -24 27 19 o 77.14262 25.11397 205.1020       130.2971 0.000000       0.000000 205.1020       130.2971 ?        ?        77.14262 25.11397 0.000000       25.11397 
1 1 1 -24 27 20 o 79.06002 24.66342 217.8770       126.7428 0.000000       0.000000 217.8770       126.7428 ?        ?        79.06002 24.66342 0.000000       24.66342 
1 1 1 -24 27 21 o 94.78156 23.42979 313.5284       129.4893 0.000000       0.000000 313.5284       129.4893 ?        ?        94.78156 23.42979 0.000000       23.42979 
1 1 1 -24 27 22 o 76.62711 25.59432 206.4546       135.0313 0.000000       0.000000 206.4546       135.0313 ?        ?        76.62711 25.59432 0.000000       25.59432 
1 1 1 -24 27 23 o 102.6302 22.69162 366.8791       132.9484 0.000000       0.000000 366.8791       132.9484 ?        ?        102.6302 22.69162 0.000000       22.69162 
1 1 1 -24 27 24 o 95.49459 24.09516 327.1588       134.9216 0.000000       0.000000 327.1588       134.9216 ?        ?        95.49459 24.09516 0.000000       24.09516 
1 1 1 -24 27 25 o 127.0762 19.37136 539.8094       139.8106 0.000000       0.000000 539.8094       139.8106 ?        ?        127.0762 19.37136 0.000000       19.37136 
1 1 1 -24 27 26 o 80.79977 35.50584 217.2328       324.4935 0.000000       0.000000 217.2328       324.4935 ?        ?        80.79977 35.50584 0.000000       35.50584 
1 1 1 -24 27 27 o 130.3107 20.47093 579.1159       151.2952 0.000000       0.000000 579.1159       151.2952 ?        ?        130.3107 20.47093 0.000000       20.47093 
1 1 1 -24 27 28 o 85.48416 27.41447 285.2830       155.6269 0.000000       0.000000 285.2830       155.6269 ?        ?        85.48416 27.41447 0.000000       27.41447 
1 1 1 -24 27 29 f 72.31088 27.77761 190.0089       165.5413 0.000000       0.000000 190.0089       165.5413 ?        ?        72.31088 27.77761 0.000000       27.77761 
1 1 1 -24 27 30 o 86.37551 28.96823 304.1946       172.9560 0.000000       0.000000 304.1946       172.9560 ?        ?        86.37551 28.96823 0.000000       28.96823 
1 1 1 -24 28 1  o 210.3373 12.26240 1335.200       150.6104 1338.586       163.4678 1316.181       387.4293 210.0634 13.33766 190.0835 36.07260 19.97990       38.45940 
1 1 1 -24 28 2  o 262.0538 12.39517 2071.699       189.9595 1830.415       210.4338 3133.773       441.4971 244.8809 14.72041 310.5190 24.44003 -65.63809      28.53078 
1 1 1 -24 28 3  o 247.5236 11.59005 1842.578       167.7818 1765.844       198.9992 2031.235       312.0289 240.8366 14.15130 252.7062 21.25038 -11.86964      25.53112 
1 1 1 -24 28 4  o 195.3343 12.21827 1152.519       139.2702 1061.336       156.4667 1500.281       305.5677 186.3473 14.42922 213.8702 24.82215 -27.52292      28.71135 
1 1 1 -24 28 5  o 142.8955 34.06498 744.1388       281.4331 0.000000       0.000000 744.1388       281.4331 ?        ?        142.8955 34.06498 0.000000       34.06498 
1 1 1 -24 28 6  o 177.1920 29.35512 1079.899       294.3839 0.000000       0.000000 1079.899       294.3839 ?        ?        177.1920 29.35512 0.000000       29.35512 
1 1 1 -24 28 7  o 42.62261 19.15110 -34.12062      99.86292 0.000000       0.000000 -34.12062      99.86292 ?        ?        42.62261 19.15110 0.000000       19.15110 
1 1 1 -24 28 8  o 106.1316 19.44110 362.6679       116.5505 0.000000       0.000000 362.6679       116.5505 ?        ?        106.1316 19.44110 0.000000       19.44110 
1 1 1 -24 28 9  o 109.8409 19.39787 388.2011       120.3914 0.000000       0.000000 388.2011       120.3914 ?        ?        109.8409 19.39787 0.000000       19.39787 
1 1 1 -24 28 10 o 64.79185 23.41262 123.3402       114.1235 0.000000       0.000000 123.3402       114.1235 ?        ?        64.79185 23.41262 0.000000       23.41262 
1 1 1 -24 28 11 o 56.20667 22.53552 64.56059       113.0315 0.000000       0.000000 64.56059       113.0315 ?        ?        56.20667 22.53552 0.000000       22.53552 
1 1 1 -24 28 12 o 87.33226 22.78734 256.5254       117.9252 0.000000       0.000000 256.5254       117.9252 ?        ?        87.33226 22.78734 0.000000       22.78734 
1 1 1 -24 28 13 o 48.33444 21.10029 -1.679152      112.9360 0.000000       0.000000 -1.679152      112.9360 ?        ?        48.33444 21.10029 0.000000       21.10029 
1 1 1 -24 28 14 f 150.2963 14.02874 696.7183       122.2283 0.000000       0.000000 696.7183       122.2283 ?        ?        150.2963 14.02874 0.000000       14.02874 
1 1 1 -24 28 15 o 117.6756 18.50570 446.3893       123.5035 0.000000       0.000000 446.3893       123.5035 ?        ?        117.6756 18.50570 0.000000       18.50570 
1 1 1 -24 28 16 o 111.1046 19.57335 404.4589       122.8829 0.000000       0.000000 404.4589       122.8829 ?        ?        111.1046 19.57335 0.000000       19.57335 
1 1 1 -24 28 17 o 110.2058 20.46133 402.9964       127.3804 0.000000       0.000000 402.9964       127.3804 ?        ?        110.2058 20.46133 0.000000       20.46133 
1 1 1 -24 28 18 o 171.9905 23.47207 1002.768       230.5874 0.000000       0.000000 1002.768       230.5874 ?        ?        171.9905 23.47207 0.000000       23.47207 
1 1 1 -24 28 19 o 42.23540 19.82606 -96.59410      124.5775 0.000000       0.000000 -96.59410      124.5775 ?        ?        42.23540 19.82606 0.000000       19.82606 
1 1 1 -24 28 20 o 68.28254 24.93839 150.4330       129.9538 0.000000       0.000000 150.4330       129.9538 ?        ?        68.28254 24.93839 0.000000       24.93839 
1 1 1 -24 28 21 o 73.03208 24.86054 184.6640       127.3939 0.000000       0.000000 184.6640       127.3939 ?        ?        73.03208 24.86054 0.000000       24.86054 
1 1 1 -24 28 22 o 48.51144 21.86575 -24.46716      131.3438 0.000000       0.000000 -24.46716      131.3438 ?        ?        48.51144 21.86575 0.000000       21.86575 
1 1 1 -24 28 23 o 37.50938 18.95302 -570.5878      200.9453 0.000000       0.000000 -570.5878      200.9453 ?        ?        37.50938 18.95302 0.000000       18.95302 
1 1 1 -24 28 24 o 130.2582 18.74038 563.3520       139.0489 0.000000       0.000000 563.3520       139.0489 ?        ?        130.2582 18.74038 0.000000       18.74038 
1 1 1 -24 28 25 o 67.57992 25.36105 152.5793       136.0434 0.000000       0.000000 152.5793       136.0434 ?        ?        67.57992 25.36105 0.000000       25.36105 
1 1 1 -24 28 26 o 71.60822 27.29169 180.0421       158.9690 0.000000       0.000000 180.0421       158.9690 ?        ?        71.60822 27.29169 0.000000       27.29169 
1 1 1 -24 28 27 o 55.59298 24.76049 18.19259       163.0490 0.000000       0.000000 18.19259       163.0490 ?        ?        55.59298 24.76049 0.000000       24.76049 
1 1 1 -24 28 28 o 53.26702 26.67944 -601.1494      354.4676 0.000000       0.000000 -601.1494      354.4676 ?        ?        53.26702 26.67944 0.000000       26.67944 
1 1 1 -24 28 29 o 77.90714 28.85031 238.9629       174.9097 0.000000       0.000000 238.9629       174.9097 ?        ?        77.90714 28.85031 0.000000       28.85031 
1 1 1 -24 29 1  o 68.60661 24.95635 138.9932       129.9538 0.000000       0.000000 138.9932       129.9538 ?        ?        68.60661 24.95635 0.000000       24.95635 
1 1 1 -24 29 2  o 219.1369 20.28784 1527.640       257.7768 1587.794       467.5604 1501.370       308.9767 201.5299 40.95721 212.8385 25.24386 -11.30858      48.11180 
1 1 1 -24 29 3  o 97.24897 22.39402 313.9609       125.0829 0.000000       0.000000 313.9609       125.0829 ?        ?        97.24897 22.39402 0.000000       22.39402 
1 1 1 -24 29 4  o 240.8051 9.863153 1734.954       138.9990 0.000000       0.000000 1734.954       138.9990 ?        ?        240.8051 9.863153 0.000000       9.863153 
1 1 1 -24 29 5  o 161.4586 13.64909 797.0694       128.0359 0.000000       0.000000 797.0694       128.0359 ?        ?        161.4586 13.64909 0.000000       13.64909 
1 1 1 -24 29 6  o 88.97994 22.43853 264.2570       117.0545 0.000000       0.000000 264.2570       117.0545 ?        ?        88.97994 22.43853 0.000000       22.43853 
1 1 1 -24 29 7  o 148.1056 14.78814 677.0921       126.7349 0.000000       0.000000 677.0921       126.7349 ?        ?        148.1056 14.78814 0.000000       14.78814 
1 1 1 -24 29 8  o 54.99581 22.51020 52.37200       115.4716 0.000000       0.000000 52.37200       115.4716 ?        ?        54.99581 22.51020 0.000000       22.51020 
1 1 1 -24 29 9  o 110.5055 35.31716 468.8419       258.4491 0.000000       0.000000 468.8419       258.4491 ?        ?        110.5055 35.31716 0.000000       35.31716 
1 1 1 -24 29 10 o 92.97752 21.40194 287.7687       114.2833 0.000000       0.000000 287.7687       114.2833 ?        ?        92.97752 21.40194 0.000000       21.40194 
1 1 1 -24 29 11 o 90.83294 22.05366 277.3162       116.2900 0.000000       0.000000 277.3162       116.2900 ?        ?        90.83294 22.05366 0.000000       22.05366 
1 1 1 -24 29 12 o 82.08500 23.64689 230.0440       120.0208 0.000000       0.000000 230.0440       120.0208 ?        ?        82.08500 23.64689 0.000000       23.64689 
1 1 1 -24 29 13 o 54.03785 23.28033 21.70139       133.8176 0.000000       0.000000 21.70139       133.8176 ?        ?        54.03785 23.28033 0.000000       23.28033 
1 1 1 -24 29 14 o 76.08112 24.28011 197.4091       122.1875 0.000000       0.000000 197.4091       122.1875 ?        ?        76.08112 24.28011 0.000000       24.28011 
1 1 1 -24 29 15 o 57.27622 23.20901 70.20815       121.2844 0.000000       0.000000 70.20815       121.2844 ?        ?        57.27622 23.20901 0.000000       23.20901 
1 1 1 -24 29 16 o 174.7825 13.77635 945.2642       140.0747 0.000000       0.000000 945.2642       140.0747 ?        ?        174.7825 13.77635 0.000000       13.77635 
1 1 1 -24 29 17 o 55.51321 23.04485 55.02690       123.3111 0.000000       0.000000 55.02690       123.3111 ?        ?        55.51321 23.04485 0.000000       23.04485 
1 1 1 -24 29 18 o 194.0705 12.64434 1158.302       143.1314 0.000000       0.000000 1158.302       143.1314 ?        ?        194.0705 12.64434 0.000000       12.64434 
1 1 1 -24 29 19 o 71.63047 25.05535 174.6271       129.7248 0.000000       0.000000 174.6271       129.7248 ?        ?        71.63047 25.05535 0.000000       25.05535 
1 1 1 -24 29 20 o 49.75970 22.02102 -2.119770      126.9170 0.000000       0.000000 -2.119770      126.9170 ?        ?        49.75970 22.02102 0.000000       22.02102 
1 1 1 -24 29 21 o 46.13433 20.85013 -28.69403      120.3593 0.000000       0.000000 -28.69403      120.3593 ?        ?        46.13433 20.85013 0.000000       20.85013 
1 1 1 -24 29 22 o 86.22083 24.98028 272.4932       133.5843 0.000000       0.000000 272.4932       133.5843 ?        ?        86.22083 24.98028 0.000000       24.98028 
1 1 1 -24 29 23 o 57.87642 24.31976 67.39990       139.8341 0.000000       0.000000 67.39990       139.8341 ?        ?        57.87642 24.31976 0.000000       24.31976 
1 1 1 -24 29 24 o 56.34400 24.09632 51.89761       141.4082 0.000000       0.000000 51.89761       141.4082 ?        ?        56.34400 24.09632 0.000000       24.09632 
1 1 1 -24 29 25 o 107.7420 23.83343 420.5608       146.6026 0.000000       0.000000 420.5608       146.6026 ?        ?        107.7420 23.83343 0.000000       23.83343 
1 1 1 -24 29 26 o 39.46181 19.40942 -252.5137      157.1646 0.000000       0.000000 -252.5137      157.1646 ?        ?        39.46181 19.40942 0.000000       19.40942 
1 1 1 -24 29 27 o 112.2047 28.69076 500.8888       189.5165 0.000000       0.000000 500.8888       189.5165 ?        ?        112.2047 28.69076 0.000000       28.69076 
1 1 1 -24 29 28 o 80.47653 29.54889 262.7356       182.8203 0.000000       0.000000 262.7356       182.8203 ?        ?        80.47653 29.54889 0.000000       29.54889 
1 1 1 -24 30 1  o 64.38769 24.48471 112.8514       127.7706 -863.0561      443.8857 201.0153       133.4173 60.62752 30.28948 77.69783 25.42063 -17.07031      39.54315 
1 1 1 -24 30 2  o 76.83280 24.71581 196.4585       126.4269 0.000000       0.000000 196.4585       126.4269 ?        ?        76.83280 24.71581 0.000000       24.71581 
1 1 1 -24 30 3  o 47.57728 20.94408 -10.72276      113.3724 -9.385583      430.7942 -10.82227      117.5149 83.04545 38.25341 48.38273 21.31003 34.66272       43.78859 
1 1 1 -24 30 4  o 95.80375 21.41324 304.7080       117.2843 0.000000       0.000000 304.7080       117.2843 ?        ?        95.80375 21.41324 0.000000       21.41324 
1 1 1 -24 30 5  o 63.79519 23.93338 114.3127       121.1379 0.000000       0.000000 114.3127       121.1379 ?        ?        63.79519 23.93338 0.000000       23.93338 
1 1 1 -24 30 6  o 56.29545 23.11954 56.08335       122.3264 0.000000       0.000000 56.08335       122.3264 ?        ?        56.29545 23.11954 0.000000       23.11954 
1 1 1 -24 30 7  o 45.56512 20.68118 -46.03069      119.9465 0.000000       0.000000 -46.03069      119.9465 ?        ?        45.56512 20.68118 0.000000       20.68118 
1 1 1 -24 30 8  o 130.0587 16.06606 531.5261       119.9434 0.000000       0.000000 531.5261       119.9434 ?        ?        130.0587 16.06606 0.000000       16.06606 
1 1 1 -24 30 9  o 65.67586 24.31915 128.0206       124.2785 0.000000       0.000000 128.0206       124.2785 ?        ?        65.67586 24.31915 0.000000       24.31915 
1 1 1 -24 30 10 o 100.8196 22.66026 345.1169       130.7162 0.000000       0.000000 345.1169       130.7162 ?        ?        100.8196 22.66026 0.000000       22.66026 
1 1 1 -24 30 11 o 54.85869 22.98141 44.79985       124.2801 0.000000       0.000000 44.79985       124.2801 ?        ?        54.85869 22.98141 0.000000       22.98141 
1 1 1 -24 30 12 o 107.0525 21.35367 384.1036       129.3632 0.000000       0.000000 384.1036       129.3632 ?        ?        107.0525 21.35367 0.000000       21.35367 
1 1 1 -24 30 13 o 39.69372 18.94858 -134.3988      123.2687 0.000000       0.000000 -134.3988      123.2687 ?        ?        39.69372 18.94858 0.000000       18.94858 
1 1 1 -24 30 14 o 68.51905 25.75500 144.6113       140.4241 0.000000       0.000000 144.6113       140.4241 ?        ?        68.51905 25.75500 0.000000       25.75500 
1 1 1 -24 30 15 o 182.6721 13.50450 1031.971       143.6546 0.000000       0.000000 1031.971       143.6546 ?        ?        182.6721 13.50450 0.000000       13.50450 
1 1 1 -24 30 16 o 64.21947 24.62822 120.5567       129.9832 0.000000       0.000000 120.5567       129.9832 ?        ?        64.21947 24.62822 0.000000       24.62822 
1 1 1 -24 30 17 o 113.5149 21.01176 435.3085       134.7327 0.000000       0.000000 435.3085       134.7327 ?        ?        113.5149 21.01176 0.000000       21.01176 
1 1 1 -24 30 18 o 50.78661 22.33677 5.627048       128.6833 0.000000       0.000000 5.627048       128.6833 ?        ?        50.78661 22.33677 0.000000       22.33677 
1 1 1 -24 30 19 o 100.6085 23.81458 359.9724       138.3213 0.000000       0.000000 359.9724       138.3213 ?        ?        100.6085 23.81458 0.000000       23.81458 
1 1 1 -24 30 20 o 78.07452 25.36773 221.3274       132.9785 0.000000       0.000000 221.3274       132.9785 ?        ?        78.07452 25.36773 0.000000       25.36773 
1 1 1 -24 30 21 f 126.7603 19.83344 540.7793       142.6155 0.000000       0.000000 540.7793       142.6155 ?        ?        126.7603 19.83344 0.000000       19.83344 
1 1 1 -24 30 22 o 41.93293 19.98455 -126.5702      135.9450 0.000000       0.000000 -126.5702      135.9450 ?        ?        41.93293 19.98455 0.000000       19.98455 
1 1 1 -24 30 23 o 43.42232 20.50505 -102.3561      136.8472 0.000000       0.000000 -102.3561      136.8472 ?        ?        43.42232 20.50505 0.000000       20.50505 
1 1 1 -24 30 24 o 59.66462 24.38449 93.09657       135.2487 0.000000       0.000000 93.09657       135.2487 ?        ?        59.66462 24.38449 0.000000       24.38449 
1 1 1 -24 30 25 o 88.98802 27.22952 310.1037       155.3679 0.000000       0.000000 310.1037       155.3679 ?        ?        88.98802 27.22952 0.000000       27.22952 
1 1 1 -24 30 26 o 76.76689 27.85025 226.8599       161.6925 0.000000       0.000000 226.8599       161.6925 ?        ?        76.76689 27.85025 0.000000       27.85025 
1 1 1 -24 30 27 o 63.90935 26.32374 120.5063       159.1917 0.000000       0.000000 120.5063       159.1917 ?        ?        63.90935 26.32374 0.000000       26.32374 
1 1 1 -24 31 1  o 129.0388 17.22346 528.9252       127.0921 746.5096       402.1049 504.7764       133.9592 127.4241 44.14019 125.1048 18.84197 2.319275       47.99350 
1 1 1 -24 31 2  o 68.24747 25.00892 142.4697       130.8553 663.3297       413.4930 84.50056       137.9451 119.7879 44.35873 61.46645 24.80753 58.32140       50.82431 
1 1 1 -24 31 3  o 88.35651 24.43170 270.0461       130.8472 0.000000       0.000000 270.0461       130.8472 ?        ?        88.35651 24.43170 0.000000       24.43170 
1 1 1 -24 31 4  o 53.08931 22.95390 16.23707       131.0087 -89.08868      433.9578 26.79897       137.4204 78.55659 36.91603 55.14718 23.67266 23.40941       43.85417 
1 1 1 -24 31 5  o 116.9527 19.83388 447.4424       131.1850 0.000000       0.000000 447.4424       131.1850 ?        ?        116.9527 19.83388 0.000000       19.83388 
1 1 1 -24 31 6  o 101.4771 23.19030 351.8655       134.9908 0.000000       0.000000 351.8655       134.9908 ?        ?        101.4771 23.19030 0.000000       23.19030 
1 1 1 -24 31 7  o 137.7957 15.56471 595.9504       123.5855 0.000000       0.000000 595.9504       123.5855 ?        ?        137.7957 15.56471 0.000000       15.56471 
1 1 1 -24 31 8  o 54.83257 23.47937 30.00251       134.5669 0.000000       0.000000 30.00251       134.5669 ?        ?        54.83257 23.47937 0.000000       23.47937 
1 1 1 -24 31 9  o 152.5525 15.60539 730.4920       137.6538 0.000000       0.000000 730.4920       137.6538 ?        ?        152.5525 15.60539 0.000000       15.60539 
1 1 1 -24 31 10 o 34.68289 16.98233 -199.3372      116.1458 0.000000       0.000000 -199.3372      116.1458 ?        ?        34.68289 16.98233 0.000000       16.98233 
1 1 1 -24 31 11 o 59.39597 23.99839 80.44326       129.2516 0.000000       0.000000 80.44326       129.2516 ?        ?        59.39597 23.99839 0.000000       23.99839 
1 1 1 -24 31 12 o 47.68023 21.27714 -18.07834      121.0029 0.000000       0.000000 -18.07834      121.0029 ?        ?        47.68023 21.27714 0.000000       21.27714 
1 1 1 -24 31 13 o 75.85796 24.74344 199.8138       126.4495 0.000000       0.000000 199.8138       126.4495 ?        ?        75.85796 24.74344 0.000000       24.74344 
1 1 1 -24 31 14 o 64.97082 25.68465 117.1630       144.8190 0.000000       0.000000 117.1630       144.8190 ?        ?        64.97082 25.68465 0.000000       25.68465 
1 1 1 -24 31 15 o 97.09819 24.79306 337.6193       141.6600 0.000000       0.000000 337.6193       141.6600 ?        ?        97.09819 24.79306 0.000000       24.79306 
1 1 1 -24 31 16 o 217.0424 12.02876 1446.029       152.5155 0.000000       0.000000 1446.029       152.5155 ?        ?        217.0424 12.02876 0.000000       12.02876 
1 1 1 -24 31 17 o 63.60149 25.12126 114.9710       138.4247 0.000000       0.000000 114.9710       138.4247 ?        ?        63.60149 25.12126 0.000000       25.12126 
1 1 1 -24 31 18 o 66.36856 25.59619 137.7739       140.9546 0.000000       0.000000 137.7739       140.9546 ?        ?        66.36856 25.59619 0.000000       25.59619 
1 1 1 -24 31 19 o 57.74781 24.25981 65.93073       139.0928 0.000000       0.000000 65.93073       139.0928 ?        ?        57.74781 24.25981 0.000000       24.25981 
1 1 1 -24 31 20 f 63.19878 25.39480 112.4735       143.8666 0.000000       0.000000 112.4735       143.8666 ?        ?        63.19878 25.39480 0.000000       25.39480 
1 1 1 -24 31 21 o 54.09227 23.68776 25.56786       143.3092 0.000000       0.000000 25.56786       143.3092 ?        ?        54.09227 23.68776 0.000000       23.68776 
1 1 1 -24 31 22 o 172.9240 15.90520 963.2596       159.4982 0.000000       0.000000 963.2596       159.4982 ?        ?        172.9240 15.90520 0.000000       15.90520 
1 1 1 -24 31 23 o 53.21718 23.55858 16.44724       145.3711 0.000000       0.000000 16.44724       145.3711 ?        ?        53.21718 23.55858 0.000000       23.55858 
1 1 1 -24 31 24 o 69.26324 26.46770 167.5640       149.7686 0.000000       0.000000 167.5640       149.7686 ?        ?        69.26324 26.46770 0.000000       26.46770 
1 1 1 -24 31 25 o 140.2387 20.13609 674.7147       160.8690 0.000000       0.000000 674.7147       160.8690 ?        ?        140.2387 20.13609 0.000000       20.13609 
1 1 1 -24 32 1  o 97.14184 23.83381 326.2500       134.7460 974.1649       436.4900 258.0011       141.6652 141.9163 45.94809 85.56839 25.96494 56.34787       52.77694 
1 1 1 -24 32 2  o 117.3363 18.94376 447.7721       125.9223 546.9037       443.5690 439.0828       131.3252 108.8159 44.27734 115.4694 20.12345 -6.653496      48.63575 
1 1 1 -24 32 3  o 96.84135 23.09261 321.9586       129.3030 -305.8900      451.4119 378.0772       134.9580 72.19736 34.92036 105.5205 22.49547 -33.32312      41.53888 
1 1 1 -24 32 4  o 125.8493 19.05108 515.0820       136.2177 0.000000       0.000000 515.0820       136.2177 ?        ?        125.8493 19.05108 0.000000       19.05108 
1 1 1 -24 32 5  o 76.63766 25.01291 201.8190       129.2090 330.5391       461.0363 190.8470       134.6033 96.07329 42.26601 74.99536 25.55384 21.07793       49.39043 
1 1 1 -24 32 6  o 161.2215 15.76029 817.4702       147.1165 0.000000       0.000000 817.4702       147.1165 ?        ?        161.2215 15.76029 0.000000       15.76029 
1 1 1 -24 32 7  o 47.66525 21.70555 -46.63908      133.4792 0.000000       0.000000 -46.63908      133.4792 ?        ?        47.66525 21.70555 0.000000       21.70555 
1 1 1 -24 32 8  o 170.7606 13.91656 904.4269       138.1629 0.000000       0.000000 904.4269       138.1629 ?        ?        170.7606 13.91656 0.000000       13.91656 
1 1 1 -24 32 9  o 134.3390 19.12856 589.7122       146.4544 0.000000       0.000000 589.7122       146.4544 ?        ?        134.3390 19.12856 0.000000       19.12856 
1 1 1 -24 32 10 o 69.82330 25.15880 159.7100       131.6672 0.000000       0.000000 159.7100       131.6672 ?        ?        69.82330 25.15880 0.000000       25.15880 
1 1 1 -24 32 11 o 115.8503 21.10335 452.4068       138.1024 0.000000       0.000000 452.4068       138.1024 ?        ?        115.8503 21.10335 0.000000       21.10335 
1 1 1 -24 32 12 o 46.75727 21.31793 -44.12060      129.2518 0.000000       0.000000 -44.12060      129.2518 ?        ?        46.75727 21.31793 0.000000       21.31793 
1 1 1 -24 32 13 o 76.54816 24.87745 207.3982       127.8840 0.000000       0.000000 207.3982       127.8840 ?        ?        76.54816 24.87745 0.000000       24.87745 
1 1 1 -24 32 14 o 62.80481 25.23515 104.6775       142.0553 0.000000       0.000000 104.6775       142.0553 ?        ?        62.80481 25.23515 0.000000       25.23515 
1 1 1 -24 32 15 o 95.26444 24.60663 327.8355       138.4403 0.000000       0.000000 327.8355       138.4403 ?        ?        95.26444 24.60663 0.000000       24.60663 
1 1 1 -24 32 16 o 78.33622 26.03010 224.0933       139.7039 0.000000       0.000000 224.0933       139.7039 ?        ?        78.33622 26.03010 0.000000       26.03010 
1 1 1 -24 32 17 o 105.6798 26.09836 413.7859       160.7821 0.000000       0.000000 413.7859       160.7821 ?        ?        105.6798 26.09836 0.000000       26.09836 
1 1 1 -24 32 18 o 147.5735 19.28278 726.2255       162.9012 0.000000       0.000000 726.2255       162.9012 ?        ?        147.5735 19.28278 0.000000       19.28278 
1 1 1 -24 32 19 o 108.8162 24.96914 433.5702       155.9619 0.000000       0.000000 433.5702       155.9619 ?        ?        108.8162 24.96914 0.000000       24.96914 
1 1 1 -24 32 20 f 75.71291 27.79616 213.2499       161.7666 0.000000       0.000000 213.2499       161.7666 ?        ?        75.71291 27.79616 0.000000       27.79616 
1 1 1 -24 32 21 o 145.9132 19.68418 720.7525       164.1541 0.000000       0.000000 720.7525       164.1541 ?        ?        145.9132 19.68418 0.000000       19.68418 
1 1 1 -24 32 22 o 74.74886 27.54813 209.2235       159.1438 0.000000       0.000000 209.2235       159.1438 ?        ?        74.74886 27.54813 0.000000       27.54813 
1 1 1 -24 32 23 o 59.20911 25.85002 56.14164       169.5375 0.000000       0.000000 56.14164       169.5375 ?        ?        59.20911 25.85002 0.000000       25.85002 
1 1 1 -24 32 24 o 91.04092 28.77043 339.5463       171.9188 0.000000       0.000000 339.5463       171.9188 ?        ?        91.04092 28.77043 0.000000       28.77043 
1 1 1 -24 33 1  o 74.93855 24.91552 192.9671       127.9919 -168.3032      428.7610 228.3100       134.1065 73.80971 35.26326 80.51646 25.40585 -6.706757      43.46210 
1 1 1 -24 33 2  o 102.2094 21.77468 355.0383       126.5264 150.4587       452.8792 372.3586       131.7736 86.60421 39.64406 104.4698 22.19300 -17.86559      45.43326 
1 1 1 -24 33 3  o 172.7794 14.05231 927.5192       141.1652 1055.615       474.7013 915.0924       147.8541 140.7101 47.98778 171.0306 14.88862 -30.32048      50.24438 
1 1 1 -24 33 4  o 80.63236 24.67483 228.8547       127.5786 -353.8874      488.1188 271.5825       132.1730 72.26509 35.26151 87.53499 24.68494 -15.26990      43.04323 
1 1 1 -24 33 5  o 179.4768 14.15280 1002.407       147.7662 0.000000       0.000000 1002.407       147.7662 ?        ?        179.4768 14.15280 0.000000       14.15280 
1 1 1 -24 33 6  o 70.70506 25.53317 165.3590       135.7061 854.4095       470.6899 102.8893       141.7242 124.3927 47.06560 63.06549 25.25170 61.32719       53.41179 
1 1 1 -24 33 7  o 93.13398 24.41263 308.1043       134.9410 372.5128       459.0532 302.0124       141.1783 95.46594 42.08014 91.61259 25.39546 3.853355       49.14944 
1 1 1 -24 33 8  o 78.17447 25.77315 217.0398       137.0377 0.000000       0.000000 217.0398       137.0377 ?        ?        78.17447 25.77315 0.000000       25.77315 
1 1 1 -24 33 9  o 65.11069 25.06735 126.5544       135.0227 0.000000       0.000000 126.5544       135.0227 ?        ?        65.11069 25.06735 0.000000       25.06735 
1 1 1 -24 33 10 o 85.89054 26.95255 272.1868       151.1325 0.000000       0.000000 272.1868       151.1325 ?        ?        85.89054 26.95255 0.000000       26.95255 
1 1 1 -24 33 11 f 65.15508 25.57497 123.8989       142.6838 0.000000       0.000000 123.8989       142.6838 ?        ?        65.15508 25.57497 0.000000       25.57497 
1 1 1 -24 33 12 o 59.05195 24.68019 71.13970       142.8277 0.000000       0.000000 71.13970       142.8277 ?        ?        59.05195 24.68019 0.000000       24.68019 
1 1 1 -24 33 13 o 56.88605 23.79045 63.13157       132.8444 0.000000       0.000000 63.13157       132.8444 ?        ?        56.88605 23.79045 0.000000       23.79045 
1 1 1 -24 33 14 o 53.26087 23.60203 7.137408       146.2736 0.000000       0.000000 7.137408       146.2736 ?        ?        53.26087 23.60203 0.000000       23.60203 
1 1 1 -24 33 15 o 52.50056 22.98918 18.07776       134.9611 0.000000       0.000000 18.07776       134.9611 ?        ?        52.50056 22.98918 0.000000       22.98918 
1 1 1 -24 33 16 o 92.48244 26.84456 324.3515       154.1359 0.000000       0.000000 324.3515       154.1359 ?        ?        92.48244 26.84456 0.000000       26.84456 
1 1 1 -24 33 17 o 124.2789 23.44468 548.8427       164.6164 0.000000       0.000000 548.8427       164.6164 ?        ?        124.2789 23.44468 0.000000       23.44468 
1 1 1 -24 33 18 o 60.54506 25.72185 77.52728       159.2579 0.000000       0.000000 77.52728       159.2579 ?        ?        60.54506 25.72185 0.000000       25.72185 
1 1 1 -24 33 19 o 66.86629 27.30708 135.2753       169.4542 0.000000       0.000000 135.2753       169.4542 ?        ?        66.86629 27.30708 0.000000       27.30708 
1 1 1 -24 33 20 o 122.5515 25.39460 556.2685       176.5163 0.000000       0.000000 556.2685       176.5163 ?        ?        122.5515 25.39460 0.000000       25.39460 
1 1 1 -24 33 21 o 70.13197 28.39448 164.5484       181.3612 0.000000       0.000000 164.5484       181.3612 ?        ?        70.13197 28.39448 0.000000       28.39448 
1 1 1 -24 33 22 o 95.66631 30.18415 384.5131       189.2985 0.000000       0.000000 384.5131       189.2985 ?        ?        95.66631 30.18415 0.000000       30.18415 
1 1 1 -24 34 1  o 84.00498 25.90552 254.9572       140.2872 426.6742       424.8830 233.9464       148.6222 97.76496 41.78844 80.57631 26.85011 17.18865       49.67094 
1 1 1 -24 34 2  o 114.9684 22.41750 453.9262       145.7209 1423.435       452.1407 341.5490       153.9348 173.2606 44.32220 96.63469 26.41259 76.62587       51.59538 
1 1 1 -24 34 3  o 71.76626 26.87179 169.8517       152.5547 0.000000       0.000000 169.8517       152.5547 ?        ?        71.76626 26.87179 0.000000       26.87179 
1 1 1 -24 34 4  o 103.8234 22.77546 374.4753       134.8581 699.0173       440.0887 340.8420       141.6737 113.8466 44.84640 97.58978 24.72754 16.25685       51.21182 
1 1 1 -24 34 5  o 90.49635 24.50670 293.4456       133.2439 285.9263       443.7261 294.1908       139.6906 90.04446 40.42109 90.09402 25.36699 -0.4956055E-01 47.72157 
1 1 1 -24 34 6  o 95.18382 23.95778 322.3276       133.6218 806.8354       447.1637 274.8221       140.0194 120.0831 45.77132 86.83424 25.69125 33.24883       52.48861 
1 1 1 -24 34 7  o 115.5373 21.62788 456.6561       141.1653 536.6821       461.9647 448.4139       148.2568 101.8325 43.55163 113.3558 23.08598 -11.52324      49.29206 
1 1 1 -24 34 8  o 71.89281 25.78688 178.0827       138.1438 -437.1622      482.0399 233.1334       144.1918 68.23458 33.64437 79.92998 26.44095 -11.69540      42.79097 
1 1 1 -24 34 9  o 131.0910 20.05141 576.0146       149.2666 0.000000       0.000000 576.0146       149.2666 ?        ?        131.0910 20.05141 0.000000       20.05141 
1 1 1 -24 34 10 o 54.11243 23.65336 22.27402       142.3201 0.000000       0.000000 22.27402       142.3201 ?        ?        54.11243 23.65336 0.000000       23.65336 
1 1 1 -24 34 11 o 81.47626 27.17901 247.4123       152.2782 0.000000       0.000000 247.4123       152.2782 ?        ?        81.47626 27.17901 0.000000       27.17901 
1 1 1 -24 34 12 o 60.86597 25.33171 84.49085       149.5439 0.000000       0.000000 84.49085       149.5439 ?        ?        60.86597 25.33171 0.000000       25.33171 
1 1 1 -24 34 13 o 48.42774 22.13964 -41.34847      140.6403 0.000000       0.000000 -41.34847      140.6403 ?        ?        48.42774 22.13964 0.000000       22.13964 
1 1 1 -24 34 14 o 59.78019 25.30726 72.74488       153.2476 0.000000       0.000000 72.74488       153.2476 ?        ?        59.78019 25.30726 0.000000       25.30726 
1 1 1 -24 34 15 o 51.89095 23.36410 -10.54314      149.5057 0.000000       0.000000 -10.54314      149.5057 ?        ?        51.89095 23.36410 0.000000       23.36410 
1 1 1 -24 34 16 f 67.17450 28.15351 125.3957       186.6440 0.000000       0.000000 125.3957       186.6440 ?        ?        67.17450 28.15351 0.000000       28.15351 
1 1 1 -24 34 17 o 88.13686 29.09182 311.8968       174.5836 0.000000       0.000000 311.8968       174.5836 ?        ?        88.13686 29.09182 0.000000       29.09182 
1 1 1 -24 34 18 o 89.92324 28.98037 325.6679       173.7651 0.000000       0.000000 325.6679       173.7651 ?        ?        89.92324 28.98037 0.000000       28.98037 
1 1 1 -24 34 19 o 59.54106 26.36830 42.93083       182.2868 0.000000       0.000000 42.93083       182.2868 ?        ?        59.54106 26.36830 0.000000       26.36830 
1 1 1 -24 34 20 o 56.93979 26.19428 -20.62366      201.0773 0.000000       0.000000 -20.62366      201.0773 ?        ?        56.93979 26.19428 0.000000       26.19428 
1 1 1 -24 35 1  o 47.17353 21.91321 -76.10045      145.8218 0.000000       0.000000 -76.10045      145.8218 ?        ?        47.17353 21.91321 0.000000       21.91321 
1 1 1 -24 35 2  o 93.65347 26.59308 325.6220       152.8592 394.8372       413.8668 314.6885       164.4898 94.24773 40.77359 91.11899 28.04275 3.128746       49.48617 
1 1 1 -24 35 3  o 54.50040 23.84641 21.00125       144.9656 67.36874       413.3592 14.49870       154.7971 78.86507 36.72243 55.29953 24.40305 23.56555       44.09134 
1 1 1 -24 35 4  o 88.51315 25.47005 286.8961       139.3152 -97.76802      414.2348 335.9548       147.9325 72.90680 34.78471 95.61557 25.79195 -22.70877      43.30359 
1 1 1 -24 35 5  o 46.73070 21.63581 -67.43765      140.3837 31.60092       429.7109 -79.27083      148.5336 78.02323 36.68717 47.32663 22.02893 30.69661       42.79278 
1 1 1 -24 35 6  o 52.41954 23.12298 8.827096       138.8527 291.0982       453.2148 -20.41267      145.8672 88.83446 40.27285 51.05992 23.02614 37.77454       46.39080 
1 1 1 -24 35 7  o 107.0926 23.79710 408.2256       145.5834 563.2921       479.4628 392.4771       152.7974 101.3287 43.86146 103.6936 25.34313 -2.364845      50.65670 
1 1 1 -24 35 8  o 65.99359 25.91308 132.2792       146.5248 -524.8848      482.7073 198.9768       153.7808 65.87390 32.69213 74.70839 27.15211 -8.834488      42.49720 
1 1 1 -24 35 9  o 55.34547 23.69388 44.84097       136.9830 85.24853       475.5261 41.18443       143.0467 80.82241 38.18352 55.77984 24.05058 25.04257       45.12662 
1 1 1 -24 35 10 o 87.44932 28.07918 295.1899       163.2293 0.000000       0.000000 295.1899       163.2293 ?        ?        87.44932 28.07918 0.000000       28.07918 
1 1 1 -24 35 11 o 97.75749 26.61290 361.6720       156.6426 0.000000       0.000000 361.6720       156.6426 ?        ?        97.75749 26.61290 0.000000       26.61290 
1 1 1 -24 35 12 o 53.68630 23.91032 7.384707       152.0287 0.000000       0.000000 7.384707       152.0287 ?        ?        53.68630 23.91032 0.000000       23.91032 
1 1 1 -24 35 13 o 58.35770 25.71772 37.08297       171.3768 0.000000       0.000000 37.08297       171.3768 ?        ?        58.35770 25.71772 0.000000       25.71772 
1 1 1 -24 35 14 o 111.7949 27.20295 477.7847       176.6371 0.000000       0.000000 477.7847       176.6371 ?        ?        111.7949 27.20295 0.000000       27.20295 
1 1 1 -24 35 15 o 91.87204 30.00268 345.6469       185.8890 0.000000       0.000000 345.6469       185.8890 ?        ?        91.87204 30.00268 0.000000       30.00268 
1 1 1 -24 35 16 o 56.41646 26.36382 -66.84216      216.1457 0.000000       0.000000 -66.84216      216.1457 ?        ?        56.41646 26.36382 0.000000       26.36382 
1 1 1 -24 35 17 o 110.9178 29.97661 502.5958       199.6017 0.000000       0.000000 502.5958       199.6017 ?        ?        110.9178 29.97661 0.000000       29.97661 
1 1 1 -24 36 1  o 137.7270 19.97090 636.7861       156.6118 756.9050       365.5327 609.7784       173.3263 120.9256 42.07402 131.9016 23.25551 -10.97597      48.07330 
1 1 1 -24 36 2  o 50.36103 23.09434 -46.15712      154.6051 197.2858       347.2239 -106.3562      172.6657 81.06801 36.11827 49.34647 23.21950 31.72154       42.93803 
1 1 1 -24 36 3  o 149.8397 24.95656 803.4016       211.6017 1182.263       330.4863 540.1791       275.4704 169.3597 34.44724 108.8830 36.55923 60.47672       50.23137 
1 1 1 -24 36 4  o 100.1123 34.39886 437.0004       244.0266 404.6125       312.8971 487.2842       389.8739 94.00299 37.56057 98.01591 40.85606 -4.012917      55.49788 
1 1 1 -24 36 5  o 35.65784 17.69359 -285.3595      141.1785 -465.2461      304.1391 -235.9530      159.3913 52.49105 26.03304 40.82710 19.97042 11.66394       32.81062 
1 1 1 -24 36 6  o 75.54911 26.85233 208.4488       149.4530 385.3235       337.0431 165.1590       166.7422 91.72011 38.08925 70.58121 27.66435 21.13889       47.07555 
1 1 1 -24 36 7  o 135.5706 21.19148 630.4985       162.9790 689.6127       387.4674 617.7914       179.6438 111.4074 42.57203 131.3838 24.20580 -19.97636      48.97242 
1 1 1 -24 36 8  o 54.19772 24.45472 -8.707761      164.7918 -133.1655      430.7007 12.63663       178.3637 71.12820 34.33121 57.45020 25.72080 13.67799       42.89745 
1 1 1 -24 36 9  o 87.61404 29.10002 304.4142       174.6043 0.000000       0.000000 304.4142       174.6043 ?        ?        87.61404 29.10002 0.000000       29.10002 
1 1 1 -24 36 10 o 57.75261 25.40874 35.88659       166.6371 -119.7028      458.7598 59.53504       178.8532 72.61924 35.14347 60.98140 26.58854 11.63784       44.06829 
1 1 1 -24 36 11 o 62.50296 26.33353 92.95152       164.6384 0.000000       0.000000 92.95152       164.6384 ?        ?        62.50296 26.33353 0.000000       26.33353 
1 1 1 -24 36 12 o 120.4178 26.65957 546.1788       183.2993 0.000000       0.000000 546.1788       183.2993 ?        ?        120.4178 26.65957 0.000000       26.65957 
1 1 1 -24 36 13 o 160.3651 22.91820 907.4688       209.4236 0.000000       0.000000 907.4688       209.4236 ?        ?        160.3651 22.91820 0.000000       22.91820 
1 1 1 -24 36 14 o 90.42453 30.64444 342.2246       193.5442 0.000000       0.000000 342.2246       193.5442 ?        ?        90.42453 30.64444 0.000000       30.64444 
1 1 1 -24 37 1  o 94.78677 26.79838 341.2384       155.5698 320.5487       303.8881 348.5864       181.1002 87.19541 36.18508 93.53749 29.52471 -6.342079      46.70191 
1 1 1 -24 37 2  o 127.2165 21.54888 558.6708       155.0418 579.8729       302.2250 551.0982       180.6197 109.4741 38.24664 122.2264 25.99730 -12.75224      46.24570 
1 1 1 -24 37 3  o 63.42168 25.43337 115.6045       144.0000 1.169166       266.4496 162.8182       171.1468 65.40602 30.11232 70.39095 27.89198 -4.984932      41.04527 
1 1 1 -24 37 4  o 91.91252 26.16097 318.7850       147.7562 627.0406       266.5397 182.0324       177.5310 118.5002 35.54090 72.69075 28.52917 45.80946       45.57487 
1 1 1 -24 37 5  o 106.1285 25.70612 418.7046       158.2875 314.9340       274.8775 470.1862       193.6103 86.39188 34.96433 108.7189 29.58292 -22.32699      45.80015 
1 1 1 -24 37 6  o 53.46725 24.18924 -13.72572      162.4934 -107.9166      287.6491 30.41911       196.9239 61.99983 29.41085 60.67510 27.10513 1.324726       39.99607 
1 1 1 -24 37 7  o 79.49064 27.98895 241.4096       162.0600 -49.06284      287.4633 376.7400       196.2129 64.39870 30.19385 95.53982 30.79589 -31.14111      43.12836 
1 1 1 -24 37 8  o 86.23492 28.43692 293.0209       166.8253 182.1044       335.0201 329.5919       192.3718 78.28159 35.13308 89.60262 30.54879 -11.32104      46.55708 
1 1 1 -24 37 9  o 65.26904 27.22571 116.1148       173.3112 153.3991       379.4186 106.2844       194.8238 78.10704 35.95012 65.96941 28.24980 12.13763       45.72157 
1 1 1 -24 37 10 o 60.57564 27.03110 37.82343       195.2866 0.000000       0.000000 37.82343       195.2866 ?        ?        60.57564 27.03110 0.000000       27.03110 
1 1 1 -24 37 11 o 96.21693 29.94250 382.6461       186.9299 230.4375       469.3957 411.3349       203.7864 82.50368 38.65060 98.26275 31.35599 -15.75907      49.77014 
1 1 1 -23 0  1  o 508.4494 22.11308 7694.867       656.5528 7694.867       656.5528 7694.867       656.5528 508.4494 22.11308 508.4494 22.11308 -0.000000      0.000000 
1 1 1 -23 0  2  o 504.9792 21.93143 7589.245       646.7232 7589.245       646.7232 7589.245       646.7232 504.9792 21.93143 504.9792 21.93143 0.000000       0.000000 
1 1 1 -23 0  3  o 599.7506 23.25879 10706.44       815.3045 10706.44       815.3045 10706.44       815.3045 599.7506 23.25879 599.7506 23.25879 0.000000       0.000000 
1 1 1 -23 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  7  o 666.0221 17.42967 13117.79       679.7601 13117.79       679.7601 13117.79       679.7601 666.0221 17.42967 666.0221 17.42967 0.000000       0.000000 
1 1 1 -23 0  8  o 54.49175 33.95551 61.34390       220.1167 61.34390       220.1167 61.34390       220.1167 54.49175 33.95551 54.49175 33.95551 -0.000000      0.000000 
1 1 1 -23 0  9  f 242.5343 18.31210 1766.824       256.9753 1766.824       256.9753 1766.824       256.9753 242.5343 18.31210 242.5343 18.31210 -0.000000      0.000000 
1 1 1 -23 0  10 o 45.70447 30.46115 -62.96173      221.3210 -62.96173      221.3210 -62.96173      221.3210 45.70447 30.46115 45.70447 30.46115 0.000000       0.000000 
1 1 1 -23 0  11 o 206.6677 19.93225 1298.156       236.0928 1298.156       236.0928 1298.156       236.0928 206.6677 19.93225 206.6677 19.93225 -0.000000      0.000000 
1 1 1 -23 0  12 o 177.8213 21.77622 977.8515       217.9995 977.8515       217.9995 977.8515       217.9995 177.8213 21.77622 177.8213 21.77622 -0.000000      0.000000 
1 1 1 -23 0  13 o 260.3425 16.52201 2024.456       249.9076 2024.456       249.9076 2024.456       249.9076 260.3425 16.52201 260.3425 16.52201 0.000000       0.000000 
1 1 1 -23 0  14 o 160.5223 24.37411 815.6666       213.8095 815.6666       213.8095 815.6666       213.8095 160.5223 24.37411 160.5223 24.37411 -0.000000      0.000000 
1 1 1 -23 0  15 o 537.2078 15.49456 8534.155       487.2517 8534.155       487.2517 8534.155       487.2517 537.2078 15.49456 537.2078 15.49456 0.000000       0.000000 
1 1 1 -23 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  20 o 945.9975 22.91901 26645.21       1269.873 26645.21       1269.873 26645.21       1269.873 945.9975 22.91901 945.9975 22.91901 -0.000000      0.000000 
1 1 1 -23 0  21 o 74.11138 37.27439 245.8497       199.4902 245.8497       199.4902 245.8497       199.4902 74.11138 37.27439 74.11138 37.27439 0.000000       0.000000 
1 1 1 -23 0  22 o 81.37596 38.01686 294.2171       202.3988 294.2171       202.3988 294.2171       202.3988 81.37596 38.01686 81.37596 38.01686 -0.000000      0.000000 
1 1 1 -23 0  23 o 362.9456 14.20462 3904.980       301.3043 3904.980       301.3043 3904.980       301.3043 362.9456 14.20462 362.9456 14.20462 -0.000000      0.000000 
1 1 1 -23 0  24 o 60.94689 34.20475 155.3231       184.5187 155.3231       184.5187 155.3231       184.5187 60.94689 34.20475 60.94689 34.20475 -0.000000      0.000000 
1 1 1 -23 0  25 o 40.43248 26.95118 -47.28921      173.3572 -47.28921      173.3572 -47.28921      173.3572 40.43248 26.95118 40.43248 26.95118 -0.000000      0.000000 
1 1 1 -23 0  26 o 192.7784 16.95087 1127.198       188.0866 1127.198       188.0866 1127.198       188.0866 192.7784 16.95087 192.7784 16.95087 0.000000       0.000000 
1 1 1 -23 0  27 o 93.16799 34.01030 350.0083       171.1929 350.0083       171.1929 350.0083       171.1929 93.16799 34.01030 93.16799 34.01030 0.000000       0.000000 
1 1 1 -23 0  28 o 154.7513 20.29995 749.9943       175.4533 749.9943       175.4533 749.9943       175.4533 154.7513 20.29995 154.7513 20.29995 0.000000       0.000000 
1 1 1 -23 0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  32 o 268.0743 13.63626 2155.368       213.1158 2155.368       213.1158 2155.368       213.1158 268.0743 13.63626 268.0743 13.63626 0.000000       0.000000 
1 1 1 -23 0  33 o 89.09182 32.99582 332.2354       159.9096 332.2354       159.9096 332.2354       159.9096 89.09182 32.99582 89.09182 32.99582 0.000000       0.000000 
1 1 1 -23 0  34 o 33.94834 23.42138 -100.3396      155.9767 -100.3396      155.9767 -100.3396      155.9767 33.94834 23.42138 33.94834 23.42138 -0.000000      0.000000 
1 1 1 -23 0  35 o 59.44245 32.34195 169.3075       159.2927 169.3075       159.2927 169.3075       159.2927 59.44245 32.34195 59.44245 32.34195 0.000000       0.000000 
1 1 1 -23 0  36 o 78.34782 34.68710 288.6020       167.8524 288.6020       167.8524 288.6020       167.8524 78.34782 34.68710 78.34782 34.68710 -0.000000      0.000000 
1 1 1 -23 0  37 o 47.50130 28.89326 84.81859       150.5922 84.81859       150.5922 84.81859       150.5922 47.50130 28.89326 47.50130 28.89326 -0.000000      0.000000 
1 1 1 -23 0  38 o 125.8466 24.66098 546.9356       162.0528 546.9356       162.0528 546.9356       162.0528 125.8466 24.66098 125.8466 24.66098 -0.000000      0.000000 
1 1 1 -23 0  39 o 54.32112 31.27332 141.9614       159.7397 141.9614       159.7397 141.9614       159.7397 54.32112 31.27332 54.32112 31.27332 -0.000000      0.000000 
1 1 1 -23 0  40 o 234.0569 15.75161 1693.926       213.9381 1693.926       213.9381 1693.926       213.9381 234.0569 15.75161 234.0569 15.75161 -0.000000      0.000000 
1 1 1 -23 0  41 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  42 o 71.38513 36.69544 280.5046       195.7884 280.5046       195.7884 280.5046       195.7884 71.38513 36.69544 71.38513 36.69544 -0.000000      0.000000 
1 1 1 -23 0  43 o 173.3776 24.19376 1023.276       232.3049 1023.276       232.3049 1023.276       232.3049 173.3776 24.19376 173.3776 24.19376 -0.000000      0.000000 
1 1 1 -23 0  44 o 74.48267 37.62923 312.6587       203.7883 312.6587       203.7883 312.6587       203.7883 74.48267 37.62923 74.48267 37.62923 0.000000       0.000000 
1 1 1 -23 1  1  o 374.5043 15.51504 4158.068       340.0312 4586.465       491.1242 3763.649       471.2451 391.4406 21.47544 354.0090 22.81926 37.43161       31.33549 
1 1 1 -23 1  2  o 155.3810 27.49133 748.4837       241.3566 913.2612       340.9605 582.9903       341.7003 169.5434 35.43353 135.3911 40.15359 34.15221       53.55227 
1 1 1 -23 1  3  f 386.1422 12.72633 4404.871       287.8109 4476.418       480.4336 4364.821       359.4490 386.7346 21.26397 383.5563 16.01453 3.178375       26.61994 
1 1 1 -23 1  4  o 297.3565 13.71418 2617.676       238.5211 2871.384       300.9928 2189.421       391.0572 310.7988 16.57293 268.8172 25.09458 41.98160       30.07324 
1 1 1 -23 1  5  o 342.9469 10.96822 3469.154       220.3205 3615.346       311.4617 3322.739       311.6990 349.1628 15.24665 334.5341 15.93289 14.62872       22.05260 
1 1 1 -23 1  6  o 473.5304 10.74477 6606.766       298.3976 6583.615       418.7393 6630.652       425.3340 471.3510 15.16752 472.9726 15.35392 -1.621582      21.58232 
1 1 1 -23 1  7  o 100.5173 27.38368 315.7482       165.7785 380.5359       223.7037 236.8269       246.9016 110.3276 32.42926 94.80461 34.41190 15.52294       47.28463 
1 1 1 -23 1  8  o 370.3270 10.74796 4045.156       233.1858 3966.767       323.8115 4129.597       336.0796 365.6702 15.13184 373.0371 15.39479 -7.366974      21.58639 
1 1 1 -23 1  9  o 137.0559 21.35064 574.5167       166.0278 533.5629       231.9669 617.5333       237.7369 129.6725 30.93578 139.8944 29.88434 -10.22192      43.01275 
1 1 1 -23 1  10 o 143.3380 19.32379 623.1921       158.3101 746.5068       224.9445 502.1753       222.8388 155.3882 25.57231 125.8029 30.51872 29.58525       39.81627 
1 1 1 -23 1  11 o 77.12547 27.03438 162.2866       151.0771 134.3622       208.4710 193.1724       219.2467 80.15537 31.07039 87.50989 32.31967 -7.354515      44.83225 
1 1 1 -23 1  12 o 77.04034 26.91240 162.8982       149.6380 143.8368       208.9101 182.9818       214.4382 81.14256 31.19590 85.89220 31.91871 -4.749641      44.63170 
1 1 1 -23 1  13 o 132.2605 19.60658 533.1993       147.4853 547.6505       208.0390 518.5981       209.1165 131.9102 27.77117 128.1056 28.56235 3.804611       39.83774 
1 1 1 -23 1  14 o 231.9328 12.21988 1593.353       165.6321 1805.119       239.9181 1400.514       228.9452 245.8670 16.73824 216.0422 18.23958 29.82484       24.75583 
1 1 1 -23 1  15 o 398.6086 10.07784 4685.743       235.4053 4619.455       326.0337 4757.937       340.2480 394.7073 14.10703 400.4593 14.51127 -5.751923      20.23821 
1 1 1 -23 1  16 o 508.0742 14.16770 7651.055       421.7480 7708.423       595.7968 7593.438       597.0887 507.2763 20.06600 503.3662 20.26717 3.910095       28.52021 
1 1 1 -23 1  17 o 570.3876 15.13786 9655.447       505.9424 9841.407       719.7101 9473.766       711.3836 572.4211 21.47644 561.5101 21.64261 10.91101       30.49000 
1 1 1 -23 1  18 o 155.9111 21.52347 741.8973       191.5621 925.7363       260.6177 525.8508       282.5261 172.8929 26.54995 127.8862 36.09937 45.00668       44.81143 
1 1 1 -23 1  19 o 276.9341 11.71689 2268.415       189.8702 2303.793       259.0187 2227.327       279.1432 278.0783 15.94921 272.9623 17.52975 5.115936       23.69956 
1 1 1 -23 1  20 o 74.83138 27.19088 143.9593       154.2088 374.6643       214.5499 -102.5993      221.7992 108.9164 31.68800 62.65866 28.31248 46.25769       42.49383 
1 1 1 -23 1  21 o 118.0624 21.59129 431.2957       143.9925 384.1205       199.7600 482.3187       207.7470 109.9321 30.10493 123.0781 29.21992 -13.14601      41.95367 
1 1 1 -23 1  22 o 118.2193 21.56787 433.1434       144.0279 456.2840       196.1999 406.1001       212.1006 119.6636 28.38768 112.6627 31.08778 7.000847       42.09882 
1 1 1 -23 1  23 o 216.9816 11.99500 1397.285       152.0480 1427.864       211.5583 1364.614       218.6749 218.1562 16.66135 212.9419 17.66900 5.214294       24.28568 
1 1 1 -23 1  24 o 246.7290 10.92364 1803.304       157.6740 1825.726       225.3019 1781.781       220.7375 246.9657 15.63554 244.0052 15.50525 2.960434       22.02006 
1 1 1 -23 1  25 o 57.71457 23.35056 49.43029       122.5531 56.28538       167.6577 41.56477       179.5893 65.83079 27.05431 66.21359 27.67411 -0.3828049     38.70132 
1 1 1 -23 1  26 o 218.9672 10.92759 1423.175       139.8877 1296.650       192.6455 1564.302       203.4592 207.5530 15.94850 228.3073 15.28325 -20.75433      22.08919 
1 1 1 -23 1  27 o 264.3639 10.77114 2073.515       166.6495 2008.195       213.3384 2175.767       266.9200 259.0881 14.09319 268.5045 17.03825 -9.416382      22.11153 
1 1 1 -23 1  28 o 101.3873 20.56572 323.5989       118.0993 469.8672       172.4747 194.4814       162.0477 121.0858 25.11196 81.10437 28.02477 39.98140       37.62975 
1 1 1 -23 1  29 o 255.6863 10.49132 1942.380       156.9874 1904.146       221.0458 1981.292       222.9944 251.4250 15.05976 256.5623 14.88399 -5.137222      21.17380 
1 1 1 -23 1  30 o 322.1464 11.52754 3094.902       217.4402 3471.141       318.2624 2765.548       297.7729 338.5557 16.07485 301.6057 16.90192 36.94995       23.32543 
1 1 1 -23 1  31 o 141.8389 15.37880 615.8918       125.8843 513.9214       168.6135 744.3052       189.2171 125.8583 23.71300 153.1351 21.67358 -27.27676      32.12554 
1 1 1 -23 1  32 o 79.26022 22.43404 205.5227       108.9614 247.0390       156.7914 166.7446       151.5327 86.17092 27.50459 74.63966 26.97739 11.53126       38.52638 
1 1 1 -23 1  33 o 126.7961 15.61668 499.1399       113.6794 640.2260       166.1612 374.9950       155.8662 141.1072 20.69305 105.0122 25.55416 36.09505       32.88187 
1 1 1 -23 1  34 o 153.1237 13.20368 716.8246       117.4165 690.3961       165.4114 743.6667       166.7001 146.6997 19.72526 152.7694 19.01634 -6.069778      27.39903 
1 1 1 -23 1  35 o 66.90308 22.82725 141.9380       107.4175 99.87371       157.7947 178.2656       146.6405 65.67961 26.52369 74.43937 26.58338 -8.759758      37.55239 
1 1 1 -23 1  36 o 55.64108 22.21385 68.91060       109.3504 176.2632       153.7432 -40.99781      155.5626 73.90371 27.10366 52.14899 23.62285 21.75471       35.95341 
1 1 1 -23 1  37 o 55.07003 22.18450 66.58168       110.0905 74.38968       158.4496 59.29464       153.0725 61.99429 25.95837 59.87769 25.31802 2.116596       36.26072 
1 1 1 -23 1  38 o 56.98038 22.41043 83.03958       109.7453 284.9441       160.1237 -95.82343      150.7103 87.70661 27.77217 46.97465 21.97207 40.73196       35.41278 
1 1 1 -23 1  39 o 89.04295 23.20495 281.3578       122.3872 182.6079       173.3477 379.5038       172.8169 73.60419 28.38573 99.76901 28.25776 -26.16482      40.05310 
1 1 1 -23 1  40 o 182.9866 12.79768 1040.285       136.4755 1084.750       191.7463 994.6317       194.2898 181.8010 18.22943 172.7232 19.52174 9.077805       26.70975 
1 1 1 -23 1  41 o 182.5168 13.44779 1044.709       142.9367 1188.423       205.2371 909.3450       199.1848 189.1498 18.74759 162.5112 21.41988 26.63869       28.46547 
1 1 1 -23 1  42 o 173.6280 14.41258 958.7729       145.4396 1149.393       213.0881 792.5259       198.9992 183.7553 20.10034 148.6454 23.61601 35.10986       31.01192 
1 1 1 -23 1  43 o 216.2234 13.99241 1482.643       176.4849 1322.795       266.0930 1608.184       235.8156 190.5370 24.36954 219.2016 18.51635 -28.66466      30.60604 
1 1 1 -23 1  44 o 64.84241 25.58869 140.2701       143.5088 81.87145       209.9684 191.4667       196.5952 63.84006 28.28451 72.15969 29.43396 -8.319630      40.82122 
1 1 1 -23 2  1  o 314.4199 16.38606 2937.047       301.1160 3282.366       421.7722 2578.070       430.0327 330.8094 21.86206 291.8407 25.37700 38.96875       33.49540 
1 1 1 -23 2  2  o 299.4605 14.13787 2656.051       247.5974 2810.947       413.9563 2569.770       308.9549 305.5489 23.27575 293.6309 18.02775 11.91794       29.44079 
1 1 1 -23 2  3  o 426.9713 12.36685 5382.678       309.3502 4953.659       490.8244 5665.412       398.4527 407.0979 20.62501 437.1846 15.56521 -30.08664      25.83925 
1 1 1 -23 2  4  o 304.6417 15.82173 2755.949       281.7106 2816.178       379.0813 2681.661       421.0067 306.4462 21.22360 297.9769 24.30191 8.469269       32.26490 
1 1 1 -23 2  5  o 573.3531 11.51011 9691.916       387.0366 9599.376       541.8439 9788.318       553.0324 568.8633 16.25779 574.3670 16.43453 -5.503723      23.11730 
1 1 1 -23 2  6  o 196.4543 16.01182 1151.154       182.8829 1283.046       248.1390 994.3194       270.5877 206.3367 20.78847 179.7942 26.45136 26.54257       33.64276 
1 1 1 -23 2  7  o 443.3900 10.58667 5792.553       275.2935 6005.669       392.3254 5585.837       386.3900 450.1877 14.87988 434.0502 15.20220 16.13745       21.27246 
1 1 1 -23 2  8  o 79.34982 28.00504 170.0120       162.3183 261.3892       222.0844 65.21941       237.8289 95.55975 32.81658 77.57872 32.08613 17.98103       45.89605 
1 1 1 -23 2  9  f 174.6401 16.32033 912.6316       165.2208 954.9103       227.5746 865.5098       240.2558 177.1602 22.40328 167.7270 25.20278 9.433136       33.72072 
1 1 1 -23 2  10 o 440.6866 10.33365 5722.823       267.0755 5431.527       366.4024 6053.043       390.1154 428.0362 14.61723 451.8475 14.74118 -23.81128      20.75972 
1 1 1 -23 2  11 f 286.4160 11.30764 2423.676       189.5682 2439.063       268.6971 2408.427       267.4868 286.2410 16.07046 284.4240 16.10137 1.816986       22.74893 
1 1 1 -23 2  12 o 89.36549 26.52098 246.1451       149.0258 209.8048       202.1099 289.4435       220.6120 87.79079 31.22412 98.59539 32.70879 -10.80460      45.21959 
1 1 1 -23 2  13 o 674.7495 12.30346 13449.76       486.8781 13408.33       690.0648 13490.82       687.0443 670.9396 17.55210 673.0800 17.41938 -2.140381      24.72875 
1 1 1 -23 2  14 o 133.1131 19.59761 540.0504       148.4200 553.9019       203.8193 524.4137       216.5544 132.8353 27.08202 128.6230 29.35672 4.212204       39.94062 
1 1 1 -23 2  15 o 324.8226 10.38245 3113.671       197.5324 2994.635       274.8235 3240.891       284.1141 317.5070 14.79948 330.3577 14.70100 -12.85074      20.86011 
1 1 1 -23 2  16 o 510.1133 14.29159 7713.950       427.1394 7962.044       606.9450 7470.507       601.2283 515.5428 20.11259 499.1019 20.58414 16.44092       28.77887 
1 1 1 -23 2  17 o 136.7784 18.73812 567.9263       146.3650 572.5604       190.8596 561.3100       228.0542 135.7067 24.89797 132.9823 29.96194 2.724350       38.95673 
1 1 1 -23 2  18 o 486.1438 10.73606 6969.993       306.0979 7089.609       434.5085 6852.146       431.2850 488.6814 15.17920 480.3617 15.32858 8.319702       21.57251 
1 1 1 -23 2  19 o 226.6066 14.46235 1527.666       191.2007 1430.500       278.1924 1614.657       263.2252 217.1543 22.15368 231.6535 19.55737 -14.49916      29.55125 
1 1 1 -23 2  20 o 196.3955 13.85934 1147.868       158.6086 1082.945       218.1981 1220.605       230.9583 189.2369 19.96087 201.0542 19.84562 -11.81729      28.14756 
1 1 1 -23 2  21 o 245.5642 11.65832 1785.418       167.4209 1739.009       227.3812 1840.369       247.4243 241.2779 16.16213 247.9666 17.11876 -6.688766      23.54286 
1 1 1 -23 2  22 o 171.3873 14.77128 878.6975       147.0256 798.9854       198.8456 974.8362       218.3751 161.5608 21.52076 178.7986 21.23971 -17.23781      30.23687 
1 1 1 -23 2  23 o 105.1315 22.05116 345.7422       131.6135 374.8111       175.8361 308.7073       198.4719 108.4261 27.58859 99.34785 30.84283 9.078262       41.38128 
1 1 1 -23 2  24 o 62.43806 26.31999 25.10460       164.6073 62.19245       182.8557 -133.3828      377.9985 68.82833 28.26658 81.47645 36.87402 -12.64812      46.46173 
1 1 1 -23 2  25 o 143.8160 15.71025 624.8726       130.3549 530.7935       174.8095 742.7138       195.6443 129.9410 23.81607 154.8696 22.17205 -24.92862      32.53929 
1 1 1 -23 2  26 o 128.9994 16.84868 507.1705       124.4254 442.0531       164.9282 593.1910       189.5602 117.8943 24.64795 137.1026 24.47291 -19.20831      34.73392 
1 1 1 -23 2  27 o 128.1893 16.97373 501.8984       124.4755 351.2921       172.8603 664.0997       179.3911 104.1159 27.79075 146.1631 21.57508 -42.04720      35.18252 
1 1 1 -23 2  28 o 239.8517 12.12623 1714.635       170.0230 1526.389       236.4199 1916.284       244.6911 224.0163 18.15042 251.8366 16.66085 -27.82030      24.63781 
1 1 1 -23 2  29 o 286.6148 11.88278 2448.912       199.3078 2886.768       296.2640 2086.920       269.3779 308.9853 16.40779 261.9583 17.63672 47.02707       24.08879 
1 1 1 -23 2  30 o 204.2068 11.34005 1245.252       135.2778 1233.310       187.1330 1258.324       195.7835 201.4577 15.96913 203.2326 16.56968 -1.774857      23.01233 
1 1 1 -23 2  31 o 108.0349 20.28432 372.0686       123.8027 361.2638       166.1652 385.5503       185.6114 103.8186 27.03006 106.5563 28.95326 -2.737732      39.60954 
1 1 1 -23 2  32 o 245.1860 10.25203 1796.525       147.0946 1674.200       200.6868 1938.528       216.2278 234.3829 14.67326 252.2632 14.67869 -17.88033      20.75496 
1 1 1 -23 2  33 o 204.3618 10.82005 1254.806       129.2198 1188.760       177.5938 1329.112       188.3709 196.4117 15.54400 207.7205 15.57609 -11.30876      22.00524 
1 1 1 -23 2  34 o 109.8582 17.55692 383.8165       109.3115 366.2207       149.5545 403.9990       160.1706 103.5036 24.93463 108.4442 25.59809 -4.940613      35.73511 
1 1 1 -23 2  35 o 72.21383 22.96582 172.3887       109.3945 208.9167       148.5618 129.1226       161.6843 78.80454 26.84625 69.28915 27.21653 9.515396       38.22906 
1 1 1 -23 2  36 o 63.04296 22.67880 121.1536       106.9377 178.2327       148.2228 59.19073       154.4339 73.87215 26.68367 60.54037 25.50539 13.33179       36.91265 
1 1 1 -23 2  37 o 139.6508 14.75388 611.2374       119.0124 640.2742       169.0168 582.6819       167.6101 138.2380 21.54984 130.9474 22.64397 7.290527       31.25932 
1 1 1 -23 2  38 o 59.88684 22.87905 102.1656       111.8909 -128.6505      158.1696 333.3793       158.3058 46.29099 21.91491 95.01688 27.09007 -48.72589      34.84444 
1 1 1 -23 2  39 o 102.9524 20.95053 362.4473       122.1893 276.9482       173.0952 447.3693       172.5100 85.26666 28.97942 109.7148 26.99706 -24.44813      39.60616 
1 1 1 -23 2  40 o 139.4365 16.39737 628.0052       131.5313 655.8622       190.1810 602.4630       182.1083 134.9757 24.94345 129.2575 24.92621 5.718262       35.26318 
1 1 1 -23 2  41 o 127.8412 18.67756 546.0556       135.9034 451.7964       196.6407 632.2500       188.0404 105.4259 30.23588 131.4312 25.31329 -26.00529      39.43312 
1 1 1 -23 2  42 o 186.6258 13.34746 1095.121       145.1256 1162.869       208.0903 1030.964       202.5009 185.6669 19.39605 173.7673 20.24949 11.89957       28.04012 
1 1 1 -23 2  43 o 90.18747 25.69775 313.3597       142.4936 310.7534       205.2606 315.7841       197.9699 85.15846 31.30287 86.07659 30.87029 -0.9181290     43.96413 
1 1 1 -23 2  44 o 73.55171 26.02531 207.1879       140.2521 225.1372       193.8989 187.4918       203.1148 75.41378 29.74896 71.92085 29.69003 3.492935       42.02974 
1 1 1 -23 3  1  o 359.1443 15.01991 3822.591       315.6656 3955.074       438.6775 3680.326       454.5844 363.6383 20.65450 350.1875 22.24923 13.45078       30.35847 
1 1 1 -23 3  2  o 265.0737 14.46935 2083.586       224.0867 1890.314       343.6282 2226.592       295.5837 250.0697 23.71363 273.0853 18.56615 -23.01558      30.11707 
1 1 1 -23 3  3  o 788.3400 16.03452 18412.29       741.3444 16618.31       1170.693 19613.32       957.8773 741.6140 26.96111 811.2596 20.13258 -69.64557      33.64851 
1 1 1 -23 3  4  o 407.2573 14.77574 4913.066       352.3288 5252.585       484.5384 4532.139       513.2355 419.4713 19.75135 388.4933 22.62381 30.97797       30.03253 
1 1 1 -23 3  5  o 545.8987 12.82922 8798.209       410.7359 8901.182       685.2764 8740.476       513.1184 545.3750 21.46689 542.8052 16.13636 2.569763       26.85534 
1 1 1 -23 3  6  o 570.8608 11.39791 9608.578       381.5979 9497.668       529.7815 9728.166       550.1145 565.8488 15.98015 572.5049 16.40103 -6.656128      22.89889 
1 1 1 -23 3  7  o 399.3671 10.71293 4703.530       250.6910 4724.084       346.7279 4681.016       362.8849 399.2089 14.83523 397.1538 15.61012 2.055084       21.53508 
1 1 1 -23 3  8  o 152.7936 18.56620 704.7383       162.9610 620.3129       218.6411 810.2572       244.4331 140.8935 27.44716 161.7602 26.69589 -20.86670      38.28860 
1 1 1 -23 3  9  o 91.24348 26.67619 257.1747       151.7222 379.8602       200.2907 91.98674       232.4092 109.7925 30.17622 79.11825 32.10287 30.67422       44.05904 
1 1 1 -23 3  10 f 183.6154 15.16926 1005.729       161.8958 936.9498       214.0644 1097.642       247.4596 175.7451 21.19631 189.9867 22.65492 -14.24158      31.02465 
1 1 1 -23 3  11 o 253.9031 11.89288 1907.098       176.6026 2179.452       243.8190 1606.513       256.1442 270.6858 15.42242 231.3505 19.04688 39.33530       24.50785 
1 1 1 -23 3  12 o 90.98167 26.46260 256.4689       149.6439 115.6493       199.1998 438.8814       226.7173 77.04745 30.22580 117.4803 32.03131 -40.43281      44.04094 
1 1 1 -23 3  13 o 173.9184 15.53662 904.3374       156.8049 943.6925       211.0640 855.8583       234.2560 176.3911 20.80231 166.7310 24.70275 9.660080       32.29491 
1 1 1 -23 3  14 o 440.3946 12.20140 5733.546       314.8353 5529.339       373.3180 6236.496       585.8764 431.6644 14.76802 455.2406 22.00914 -23.57620      26.50466 
1 1 1 -23 3  15 o 375.1925 11.47467 4158.719       252.1936 4180.482       314.0917 4119.230       423.0912 375.4094 14.29206 370.8165 19.52348 4.592926       24.19564 
1 1 1 -23 3  16 f 749.4508 13.27749 16614.97       583.5923 16080.44       808.4268 17196.64       843.3276 733.8715 18.79870 759.0464 18.94425 -25.17493      26.68850 
1 1 1 -23 3  17 o 167.1521 18.87400 843.7240       181.7912 744.8695       239.7252 977.5048       278.8768 154.4459 27.47284 177.3615 27.71679 -22.91566      39.02534 
1 1 1 -23 3  18 o 226.1852 13.64708 1519.429       180.1895 1185.905       248.7513 1887.648       261.3695 197.6634 21.82074 251.1285 17.86294 -53.46510      28.19981 
1 1 1 -23 3  19 o 270.3091 15.18208 2174.221       239.7141 3224.669       555.9868 1934.365       265.6760 323.3077 29.65220 254.1704 17.93806 69.13734       34.65583 
1 1 1 -23 3  20 o 340.0667 10.46095 3413.809       208.3862 3341.833       284.1347 3497.586       306.5449 335.4419 14.47705 342.9385 15.27985 -7.496613      21.04897 
1 1 1 -23 3  21 o 326.1966 10.31195 3141.683       197.0266 3101.817       274.0207 3184.354       283.4961 323.0402 14.50056 327.2235 14.81083 -4.183319      20.72744 
1 1 1 -23 3  22 o 330.8566 10.18517 3232.914       197.3972 3318.835       276.7110 3143.880       281.6788 334.1323 14.15279 324.9777 14.81817 9.154633       20.49096 
1 1 1 -23 3  23 o 152.0555 16.03771 696.4042       140.8676 534.6514       189.4375 896.4787       210.6861 130.2514 25.71203 171.1208 21.46437 -40.86942      33.49369 
1 1 1 -23 3  24 o 356.8263 9.968509 3762.906       208.4068 3367.807       284.2610 4222.099       306.4518 336.1088 14.45451 376.6256 13.89784 -40.51685      20.05200 
1 1 1 -23 3  25 o 279.5121 10.24967 2312.647       167.7355 2405.675       233.9040 2214.160       240.6682 283.9143 14.09157 271.9800 15.14783 11.93430       20.68886 
1 1 1 -23 3  26 o 186.0844 12.36660 1032.664       134.1960 1021.518       179.2276 1046.885       202.4510 183.7830 16.81445 185.3452 18.88832 -1.562256      25.28822 
1 1 1 -23 3  27 o 281.3589 10.99997 2349.671       181.1611 2090.870       228.9563 2782.987       296.2588 264.0708 14.84340 303.9214 16.68510 -39.85052      22.33202 
1 1 1 -23 3  28 o 261.7913 10.50441 2034.104       160.9513 2122.667       226.5961 1943.922       228.6568 265.9767 14.58220 254.1593 15.41252 11.81740       21.21760 
1 1 1 -23 3  29 o 274.7743 10.85254 2245.296       174.5432 2227.001       265.2960 2259.259       231.7698 271.0505 16.77113 274.1538 14.46611 -3.103271      22.14812 
1 1 1 -23 3  30 o 128.8503 17.44701 512.8602       128.4586 249.1632       186.3582 751.5852       177.3148 88.73063 30.07017 155.3124 19.92492 -66.58181      36.07239 
1 1 1 -23 3  31 o 103.4927 20.22276 342.2559       118.3413 455.3672       166.0682 225.5557       168.6822 117.6532 24.84797 84.08427 28.60717 33.56895       37.89184 
1 1 1 -23 3  32 o 87.76217 21.95188 253.0062       112.6903 221.1283       157.4093 286.5218       161.4021 82.32259 27.63592 91.86544 27.68036 -9.542847      39.11452 
1 1 1 -23 3  33 o 182.1656 11.67128 1001.908       124.0350 864.8951       173.1281 1146.397       177.7888 165.8862 18.08804 192.6214 15.87889 -26.73521      24.06899 
1 1 1 -23 3  34 o 167.2068 12.37585 850.1058       120.5008 848.4414       171.7980 851.7176       169.0627 163.7554 18.19525 164.3080 17.82987 -0.5526733     25.47492 
1 1 1 -23 3  35 o 47.88980 20.54460 12.40330       103.3834 -129.3074      146.4485 153.1803       145.9653 44.92036 21.21238 70.94763 26.34000 -26.02727      33.81953 
1 1 1 -23 3  36 o 40.39954 18.82555 -78.60702      108.9551 42.55294       146.4006 -229.0282      163.1240 57.80211 24.61286 42.62548 20.70504 15.17663       32.16352 
1 1 1 -23 3  37 o 131.9096 15.54967 549.9048       117.9863 544.2681       163.8669 555.9728       170.0188 126.1694 22.99241 126.9986 23.69837 -0.8291321     33.01914 
1 1 1 -23 3  38 o 177.8972 12.71860 976.2823       131.8208 1199.385       194.8376 787.9512       179.0119 193.2811 17.37349 154.0208 20.31230 39.26035       26.72878 
1 1 1 -23 3  39 o 97.21960 21.66491 327.4722       120.3667 322.1839       171.7576 332.5757       168.7314 91.49542 28.73590 93.19403 28.34891 -1.698608      40.36598 
1 1 1 -23 3  40 o 103.3758 21.71697 372.5014       127.4709 299.1393       183.8349 440.4382       176.9068 86.90955 29.85675 107.1828 27.88214 -20.27326      40.85143 
1 1 1 -23 3  41 o 98.24767 22.36829 343.2628       125.9863 386.0201       174.9955 297.2544       181.5269 98.77145 28.58373 86.04607 29.66452 12.72538       41.19482 
1 1 1 -23 3  42 o 136.7574 18.95907 630.5620       147.9765 462.5219       228.0669 752.7363       194.4669 101.8896 33.22989 144.5691 23.76086 -42.67947      40.85100 
1 1 1 -23 3  43 o 119.2045 20.83243 496.0637       140.3421 462.5660       199.4981 528.8820       197.4650 104.6751 30.58537 114.0496 29.35123 -9.374557      42.39056 
1 1 1 -23 3  44 o 52.69749 22.38828 51.88696       120.6565 237.4292       474.5528 39.06371       124.7562 80.23572 37.97736 51.88345 22.41592 28.35226       44.09935 
1 1 1 -23 4  1  o 388.3602 15.86203 4474.831       360.5198 0.000000       0.000000 4474.831       360.5198 ?        ?        388.3602 15.86203 0.000000       15.86203 
1 1 1 -23 4  2  o 326.1447 12.65506 3144.060       241.6018 2992.201       362.4704 3265.465       324.0945 316.3949 19.63076 331.4223 16.72808 -15.02740      25.79138 
1 1 1 -23 4  3  o 549.5637 15.54483 8950.843       500.5160 8884.879       678.4800 9029.600       741.3660 545.0364 21.26646 548.5042 23.09805 -3.467712      31.39718 
1 1 1 -23 4  4  o 521.7081 22.38059 8160.881       683.1851 0.000000       0.000000 8160.881       683.1851 ?        ?        521.7081 22.38059 0.000000       22.38059 
1 1 1 -23 4  5  o 210.3334 16.21770 1319.154       198.5105 995.8196       280.9364 1641.568       280.5366 179.5653 27.55549 233.6428 20.68679 -54.07745      34.45647 
1 1 1 -23 4  6  o 358.6775 10.76394 3794.634       226.1696 3994.394       318.0364 3590.246       321.6994 367.0612 14.80402 347.6943 15.81762 19.36685       21.66463 
1 1 1 -23 4  7  o 457.7705 10.49707 6174.703       281.8165 6287.993       395.5411 6057.899       401.6259 460.6704 14.65899 451.9881 15.17261 8.682312       21.09725 
1 1 1 -23 4  8  o 207.4366 13.69899 1277.799       165.7244 1195.469       215.8267 1396.083       258.6940 199.5311 18.65997 215.1891 20.75543 -15.65797      27.91025 
1 1 1 -23 4  9  o 120.1496 22.02804 445.4313       149.5020 248.0533       192.1712 748.0306       237.9430 91.87808 30.52920 155.0787 27.15063 -63.20062      40.85571 
1 1 1 -23 4  10 o 62.94227 25.39278 57.49109       144.4653 121.1669       186.4670 -38.11738      228.4877 76.09895 29.41562 68.18076 29.88229 7.918190       41.93126 
1 1 1 -23 4  11 o 305.3906 10.90108 2753.748       194.9300 2729.210       265.3992 2782.490       287.2396 303.1042 14.97628 305.7580 16.07475 -2.653748      21.97013 
1 1 1 -23 4  12 o 42.74778 20.35030 -175.2331      140.1682 -133.7196      186.5135 -229.1046      212.4687 54.62352 25.16462 54.07222 25.53896 0.5513039      35.85382 
1 1 1 -23 4  13 o 525.5488 10.85639 8146.186       334.6178 8246.713       477.5564 8049.228       469.0016 527.0030 15.46790 520.6881 15.37525 6.314880       21.80949 
1 1 1 -23 4  14 o 239.0961 12.05449 1692.637       168.4878 1791.847       234.5586 1586.875       242.1796 245.0336 16.41679 230.0896 18.09237 14.94402       24.43040 
1 1 1 -23 4  15 o 309.8505 11.62321 2838.078       210.8425 2948.461       263.2118 2640.420       352.2177 315.1897 14.27617 296.3735 20.38803 18.81619       24.88937 
1 1 1 -23 4  16 o 343.6839 10.35280 3485.226       208.4357 3370.152       286.6989 3614.241       303.5692 336.9429 14.54263 348.8567 14.87160 -11.91376      20.80030 
1 1 1 -23 4  17 o 207.0471 15.86477 1279.894       191.1757 1099.006       237.0735 1616.240       323.2742 190.2645 21.62936 230.2611 24.30496 -39.99658      32.53552 
1 1 1 -23 4  18 o 351.1026 11.47379 3642.319       235.9435 3280.702       351.2421 3939.667       318.5040 331.3064 18.14628 364.2241 14.94234 -32.91776      23.50662 
1 1 1 -23 4  19 o 229.4434 12.47982 1560.492       167.3002 1570.882       227.7564 1548.316       246.5567 229.1465 17.07018 227.0429 18.68160 2.103531       25.30599 
1 1 1 -23 4  20 o 113.0049 22.79077 397.6259       145.8265 385.1556       188.3015 416.3113       230.4980 110.1899 28.81639 114.3597 32.71566 -4.169792      43.59700 
1 1 1 -23 4  21 o 34.95551 17.28535 -291.5715      130.4916 -391.3250      168.8460 -143.6210      205.6293 39.17064 19.42157 57.32035 26.41270 -18.14971      32.78457 
1 1 1 -23 4  22 o 313.4903 10.30806 2903.499       189.2608 2776.562       261.8045 3042.451       273.9166 305.3864 14.66045 319.7093 14.64765 -14.32281      20.72396 
1 1 1 -23 4  23 o 72.51750 24.91896 148.8987       128.0593 134.9160       170.9092 166.7980       193.3699 75.21156 28.38236 81.32398 30.29300 -6.112419      41.51173 
1 1 1 -23 4  24 o 364.7447 9.946473 3932.010       212.5705 3647.684       289.6784 4263.756       312.9034 349.8940 14.14573 378.3396 14.12672 -28.44568      19.99165 
1 1 1 -23 4  25 o 309.6743 10.03876 2837.202       182.0797 2762.954       253.5286 2916.292       261.6633 304.2282 14.24903 312.5486 14.31294 -8.320435      20.19642 
1 1 1 -23 4  26 f 281.7745 9.990310 2350.626       164.8327 2295.425       224.5519 2415.124       242.7246 277.2250 13.85519 284.0887 14.61747 -6.863617      20.14042 
1 1 1 -23 4  27 o 131.0095 16.74441 523.5649       125.7172 250.5585       174.0316 821.5041       181.8049 89.60612 29.01323 163.6526 19.31390 -74.04651      34.85390 
1 1 1 -23 4  28 o 315.4067 11.94383 2961.760       220.5361 2814.093       294.9823 3148.895       332.0720 305.3321 16.53470 322.4111 17.62899 -17.07895      24.16976 
1 1 1 -23 4  29 o 468.3849 11.25358 6522.109       309.1319 5884.878       476.7854 6984.273       406.0431 439.4640 18.54069 482.4306 14.36716 -42.96658      23.45576 
1 1 1 -23 4  30 o 175.3031 13.03647 924.9767       133.0700 1002.825       188.8691 848.2393       187.5171 180.4914 18.08582 165.1088 19.75687 15.38258       26.78490 
1 1 1 -23 4  31 o 136.2448 15.72902 570.8123       123.3770 706.9176       176.3335 440.2788       172.6864 149.4734 20.66743 114.8878 26.21041 34.58562       33.37857 
1 1 1 -23 4  32 o 121.2290 16.53122 458.1039       114.4747 471.2844       160.3463 444.4029       163.4825 119.5143 23.71373 115.3514 24.89651 4.162941       34.38280 
1 1 1 -23 4  33 o 109.1721 18.56678 380.7298       114.6252 325.6733       154.0239 449.0740       171.6069 97.32495 26.34530 114.6569 26.10710 -17.33198      37.08983 
1 1 1 -23 4  34 o 41.88924 19.11966 -51.18940      104.3407 -79.73321      142.8309 -18.52532      152.7923 47.60221 21.96280 53.99405 24.01352 -6.391838      32.54249 
1 1 1 -23 4  35 o 64.84555 23.34114 127.4436       113.2947 114.6294       157.9154 141.0352       162.6347 67.19229 26.73789 70.62266 27.42422 -3.430367      38.30147 
1 1 1 -23 4  36 o 64.87998 23.14122 131.3749       111.0897 76.38570       145.4987 208.2377       172.0197 61.09610 25.16569 78.50146 28.68876 -17.40536      38.16225 
1 1 1 -23 4  37 o 48.24794 20.75422 15.94450       106.0417 199.3299       145.6638 -190.8259      154.6726 75.96716 26.55158 42.60978 20.56810 33.35737       33.58620 
1 1 1 -23 4  38 o 114.3243 18.76029 430.5760       121.4258 427.4895       177.4385 433.2945       166.5248 106.9837 27.97035 109.1199 26.32632 -2.136139      38.41114 
1 1 1 -23 4  39 o 182.7238 12.95139 1035.979       137.8917 1212.290       211.8447 906.3618       181.6384 191.8126 19.08465 165.7403 19.03146 26.07228       26.95218 
1 1 1 -23 4  40 o 69.38641 24.86748 167.0851       128.4400 235.1908       177.0207 91.37277       186.6445 78.95290 29.06170 64.65054 27.66694 14.30237       40.12533 
1 1 1 -23 4  41 o 82.77061 23.73776 250.7782       121.2030 209.8838       157.4342 310.2854       189.9115 75.22628 27.45278 87.24739 30.32855 -12.02111      40.90815 
1 1 1 -23 4  42 o 171.6855 13.96832 934.0915       139.4321 1020.508       200.1944 852.6803       194.3107 172.9041 20.11749 156.0897 21.82169 16.81438       29.67995 
1 1 1 -23 4  43 o 63.28742 26.90115 102.5893       174.3547 122.2931       414.4496 98.35226       192.1889 76.20361 35.89303 64.24456 27.78936 11.95905       45.39337 
1 1 1 -23 5  1  o 203.5451 17.05259 1237.748       201.6949 1183.880       276.2039 1299.290       295.2246 197.1338 24.41126 206.5039 24.87717 -9.370102      34.85374 
1 1 1 -23 5  2  o 510.5117 23.50414 7832.782       701.8328 0.000000       0.000000 7832.782       701.8328 ?        ?        510.5117 23.50414 0.000000       23.50414 
1 1 1 -23 5  3  o 125.2237 24.99568 487.4259       177.1361 346.4404       239.4165 657.9427       263.2998 106.6476 33.98182 144.1224 31.98614 -37.47483      46.66773 
1 1 1 -23 5  4  o 251.0904 15.88324 1875.709       232.6958 1781.276       282.3296 2075.741       410.9056 243.6520 19.93171 260.6987 27.27860 -17.04675      33.78454 
1 1 1 -23 5  5  o 286.2178 15.03963 2432.070       251.5692 2484.132       314.1577 2339.015       420.0053 288.3236 18.67930 277.2644 26.13755 11.05923       32.12612 
1 1 1 -23 5  6  o 306.9808 12.68634 2787.543       227.9088 3055.148       340.8320 2571.113       306.5157 319.9565 18.23903 293.5329 17.89010 26.42358       25.54834 
1 1 1 -23 5  7  o 155.6771 17.82832 729.7008       159.8414 926.4404       209.1979 453.7362       247.7640 174.9110 20.80033 119.6310 33.81827 55.28003       39.70301 
1 1 1 -23 5  8  o 183.0591 15.01241 999.1492       159.7583 974.3862       206.4747 1036.090       252.1839 179.6339 19.93392 184.1806 23.91037 -4.546616      31.12984 
1 1 1 -23 5  9  o 213.5330 13.17985 1352.781       164.2496 1467.052       216.1164 1196.517       252.7241 221.6334 16.75055 198.6424 22.06507 22.99101       27.70285 
1 1 1 -23 5  10 o 110.6263 23.16012 380.8820       145.4348 301.3166       187.1132 502.3035       231.1479 98.70704 29.81717 125.6100 31.45105 -26.90296      43.33857 
1 1 1 -23 5  11 o 48.99131 22.32683 -85.07589      141.5797 -27.51089      177.8340 -184.7189      233.9694 60.57743 26.46064 60.02422 27.83946 0.5532112      38.40834 
1 1 1 -23 5  12 o 77.98095 26.39598 173.4453       143.5967 210.9695       185.0424 116.6382       227.6758 86.50354 29.94444 80.62740 32.09819 5.876137       43.89719 
1 1 1 -23 5  13 o 216.6466 12.94903 1392.531       163.7772 1503.186       218.9023 1251.832       246.8378 224.2619 16.76480 203.4098 20.99257 20.85211       26.86534 
1 1 1 -23 5  14 o 243.5714 19.80681 1784.469       280.4982 1551.938       470.4286 1912.746       349.4039 219.8938 37.84266 250.7778 24.05128 -30.88394      44.83894 
1 1 1 -23 5  15 o 357.5855 10.35630 3772.616       216.9587 3835.242       300.8690 3704.773       313.1514 359.5541 14.29648 353.1230 15.15620 6.431183       20.83506 
1 1 1 -23 5  16 o 693.7723 18.62373 14366.30       757.0790 14378.73       1094.595 14354.90       1048.250 687.2790 27.21004 687.7734 26.03478 -0.4943848     37.65895 
1 1 1 -23 5  17 o 374.1533 10.69769 4131.646       234.5005 4240.971       325.9528 4014.352       337.6226 377.9920 14.73174 367.4352 15.70373 10.55676       21.53210 
1 1 1 -23 5  18 o 299.1683 13.23754 2652.539       231.6844 2520.224       295.9767 2861.896       372.3039 290.4603 17.45535 308.4705 20.69925 -18.01013      27.07671 
1 1 1 -23 5  19 o 245.6902 11.79354 1786.778       169.4386 1742.905       232.1250 1836.815       247.8967 241.5741 16.48278 247.8395 17.16090 -6.265396      23.79450 
1 1 1 -23 5  20 o 42.00863 20.04167 -176.8730      137.4700 -63.40250      175.9824 -354.5073      220.1867 57.33797 25.61824 49.85458 24.17892 7.483387       35.22662 
1 1 1 -23 5  21 o 396.0185 10.30845 4630.079       239.2158 4527.142       332.5984 4740.393       344.3099 390.2830 14.55632 399.3187 14.72733 -9.035675      20.70702 
1 1 1 -23 5  22 o 293.1944 10.48260 2541.050       179.9599 2498.837       244.7869 2590.698       265.4732 289.7061 14.45286 294.6928 15.41392 -4.986725      21.12993 
1 1 1 -23 5  23 o 119.9542 18.51048 440.8914       126.0365 450.3347       165.8718 427.9909       193.8705 119.5701 24.47859 115.4878 28.73908 4.082291       37.75098 
1 1 1 -23 5  24 o 204.3451 11.94033 1241.459       142.4737 1085.865       189.7081 1442.750       215.7761 189.6271 17.24676 218.8880 16.94032 -29.26096      24.17489 
1 1 1 -23 5  25 o 287.2048 10.25700 2442.113       172.4903 2341.516       235.6936 2558.129       253.1130 279.9218 14.40534 292.4625 14.80501 -12.54062      20.65678 
1 1 1 -23 5  26 o 160.1137 14.43916 770.9453       134.1326 602.4164       182.4676 969.0847       197.8490 138.5381 23.28273 178.0648 19.25120 -39.52666      30.21083 
1 1 1 -23 5  27 o 208.9367 12.49964 1302.665       152.4659 1446.341       197.0759 1088.476       240.6248 219.2292 15.42645 187.3347 22.34116 31.89455       27.14964 
1 1 1 -23 5  28 o 236.9371 11.19232 1670.319       155.0867 1630.797       211.3944 1716.384       228.2224 232.5422 15.59042 238.2294 16.43547 -5.687164      22.65360 
1 1 1 -23 5  29 o 308.8509 10.69610 2836.176       193.4501 2725.004       290.4062 2924.858       259.3755 299.8549 16.57821 312.0186 14.21150 -12.16360      21.83584 
1 1 1 -23 5  30 o 187.9863 12.49425 1061.477       136.9667 998.1575       188.5808 1132.172       199.2604 179.9369 18.11643 191.8312 17.91865 -11.89433      25.48103 
1 1 1 -23 5  31 o 209.9419 11.11717 1320.183       136.3933 1313.566       192.5768 1326.844       193.2033 207.1279 15.97651 208.1949 15.94451 -1.067062      22.57158 
1 1 1 -23 5  32 o 138.2801 15.08909 589.0698       120.3863 687.1464       170.7185 492.0582       169.7891 146.7392 20.38727 121.5377 24.66424 25.20150       31.99946 
1 1 1 -23 5  33 o 46.15512 20.47210 -20.46925      110.3021 -129.9029      153.5245 96.28967       158.5796 46.55455 21.90233 66.00185 26.61239 -19.44730      34.46638 
1 1 1 -23 5  34 o 77.15623 22.31607 198.7202       106.6929 184.5444       147.9526 214.0790       154.0023 75.59988 26.73206 79.94324 27.33118 -4.343361      38.23083 
1 1 1 -23 5  35 o 48.44214 20.71660 15.94251       104.5191 51.02259       145.8078 -21.13518      149.9018 58.88867 24.79468 52.97619 23.65841 5.912479       34.27092 
1 1 1 -23 5  36 o 87.83919 22.70342 265.1872       117.8014 183.3508       159.5320 363.3148       174.6908 74.76721 27.57702 99.42986 28.49280 -24.66264      39.65264 
1 1 1 -23 5  37 o 163.6663 13.30252 828.7281       126.5862 916.8091       174.1377 730.0270       184.3372 168.7907 17.86182 147.1845 22.03160 21.60620       28.36258 
1 1 1 -23 5  38 o 95.82900 22.52349 319.7180       124.4329 510.8613       185.2756 162.6572       167.9471 117.7787 27.34859 71.52744 27.84242 46.25128       39.02750 
1 1 1 -23 5  39 o 184.7409 13.22101 1061.881       142.2976 1133.943       210.6974 1001.447       192.9501 184.6496 19.76334 173.9916 19.22937 10.65800       27.57460 
1 1 1 -23 5  40 o 178.7504 12.86885 995.1072       134.0049 954.0139       188.4823 1037.110       190.5577 169.0047 19.36545 177.0438 18.63144 -8.039139      26.87287 
1 1 1 -23 5  41 o 117.9395 18.86795 467.5683       126.1102 366.3768       165.4381 607.9247       194.8407 96.84435 27.72034 126.8428 27.01966 -29.99848      38.71020 
1 1 1 -23 5  42 o 199.9825 15.59723 1289.256       181.4863 1524.462       377.8055 1218.700       206.9243 186.1222 35.91253 190.6827 18.74538 -4.560532      40.51048 
1 1 1 -23 5  43 o 75.69891 24.36441 214.6833       122.8460 357.2392       375.8245 197.6299       129.9863 85.87274 37.95346 72.75373 25.10154 13.11901       45.50333 
1 1 1 -23 6  1  f 157.0971 46.56560 809.1088       459.6449 0.000000       0.000000 809.1088       459.6449 ?        ?        157.0971 46.56560 0.000000       46.56560 
1 1 1 -23 6  2  o 223.7741 15.27060 1489.620       199.2077 1513.441       274.3934 1463.073       289.6715 224.1286 21.12411 219.8543 22.79616 4.274277       31.07882 
1 1 1 -23 6  3  o 524.9113 12.43479 8133.251       382.8026 8097.244       614.3694 8156.102       489.4195 520.5928 20.16056 524.3063 15.93492 -3.713501      25.69766 
1 1 1 -23 6  4  o 315.0805 12.10934 2933.916       223.3486 2947.241       324.5697 2921.930       307.8207 314.4267 17.67215 313.3119 16.81373 1.114807       24.39276 
1 1 1 -23 6  5  o 338.5653 11.91817 3386.361       236.2787 3814.861       358.9732 3058.813       313.8511 357.9865 17.14784 320.5820 16.75110 37.40448       23.97181 
1 1 1 -23 6  6  o 334.8360 11.64129 3311.405       228.2563 2838.112       316.7081 3822.971       329.2642 308.5079 17.57693 358.7766 15.68631 -50.26862      23.55863 
1 1 1 -23 6  7  o 301.8422 12.02498 2693.323       212.4441 2828.208       303.7798 2564.208       297.2107 308.1356 16.87436 293.2234 17.36054 14.91217       24.21017 
1 1 1 -23 6  8  o 51.71429 23.16707 -59.66100      144.9451 11.81350       180.5637 -189.1756      243.0604 64.43076 27.38113 61.33150 28.42130 3.099258       39.46513 
1 1 1 -23 6  9  o 70.85420 25.89403 125.5774       140.1373 272.2716       174.4720 -141.1179      235.2486 94.21622 28.85998 62.68124 28.64753 31.53499       40.66423 
1 1 1 -23 6  10 o 380.5253 10.32444 4270.769       230.1967 4137.504       314.1645 4425.264       338.2643 373.5246 14.36806 386.1321 14.96555 -12.60751      20.74630 
1 1 1 -23 6  11 f 173.1248 15.17782 895.2865       152.5485 1068.050       196.8573 635.6017       241.3510 188.5493 18.02133 141.7319 29.97353 46.81732       34.97400 
1 1 1 -23 6  12 f 224.1626 12.48391 1489.218       163.4727 1566.393       216.2752 1386.365       249.6761 229.1038 16.20070 214.4449 20.08605 14.65894       25.80528 
1 1 1 -23 6  13 o 131.4959 18.49715 525.1384       138.7111 531.0645       172.1848 514.1819       234.1245 131.0270 23.25885 126.9186 31.58115 4.108437       39.22172 
1 1 1 -23 6  14 o 371.1654 10.23926 4063.738       222.6750 4228.368       315.4503 3900.230       314.3725 377.5730 14.27124 362.4431 14.82079 15.12991       20.57484 
1 1 1 -23 6  15 o 255.2899 12.07126 1929.109       180.2208 2032.702       243.2883 1803.137       268.2822 261.1744 15.95947 245.1540 18.80312 16.02042       24.66298 
1 1 1 -23 6  16 o 371.8062 10.32384 4078.152       224.8992 4073.705       304.3503 4083.500       333.7963 370.6670 14.02566 370.6995 15.38701 -0.3247070E-01 20.82016 
1 1 1 -23 6  17 o 193.6370 16.24842 1121.369       182.8226 1180.376       221.8422 996.4621       322.7639 197.9122 19.35999 177.4835 32.19341 20.42865       37.56627 
1 1 1 -23 6  18 o 311.0226 13.32886 2867.183       242.5645 2901.260       313.0559 2815.992       383.7000 311.7760 17.18748 305.6223 21.54509 6.153778       27.56085 
1 1 1 -23 6  19 o 257.2467 11.57935 1957.946       174.2487 2011.925       238.2737 1895.893       255.4743 259.8150 15.71070 251.7179 17.41275 8.097092       23.45272 
1 1 1 -23 6  20 o 338.5039 10.47759 3383.490       207.7554 3254.179       283.7350 3532.951       305.0416 330.8684 14.65840 344.6248 15.12940 -13.75644      21.06579 
1 1 1 -23 6  21 o 222.8362 12.14348 1473.025       158.1011 1456.862       207.4589 1495.416       244.1799 220.6388 16.14419 222.7460 18.86909 -2.107239      24.83299 
1 1 1 -23 6  22 o 152.0138 15.33788 694.3031       134.8731 718.2699       168.7975 651.9830       224.3026 153.6411 19.14742 143.5620 27.64351 10.07907       33.62717 
1 1 1 -23 6  23 o 256.4142 10.67335 1946.394       160.1558 1935.437       213.2116 1960.582       242.6158 254.7281 14.32973 255.7664 16.25844 -1.038315      21.67206 
1 1 1 -23 6  24 o 61.92674 23.58355 86.23363       118.6472 103.3608       149.8328 57.43737       194.2816 68.53180 26.40063 69.85005 28.95500 -1.318253      39.18399 
1 1 1 -23 6  25 f 263.4925 10.74252 2058.276       165.6584 1918.463       225.5491 2222.036       244.1019 252.9617 15.27439 272.2759 15.34876 -19.31424      21.65391 
1 1 1 -23 6  26 o 230.9036 11.17384 1583.893       150.8664 1453.208       206.9382 1732.152       220.4135 219.5864 16.18254 239.9995 15.74646 -20.41316      22.57931 
1 1 1 -23 6  27 o 208.3140 11.68880 1292.425       142.2307 1061.674       191.1572 1578.603       212.8810 186.8499 17.65333 228.8284 15.96278 -41.97849      23.80022 
1 1 1 -23 6  28 o 238.6468 10.99317 1694.168       153.4479 1739.093       214.9467 1647.477       219.1300 240.1982 15.33860 233.4367 16.10468 6.761475       22.24036 
1 1 1 -23 6  29 o 186.7838 13.21587 1048.438       143.8375 867.1984       201.0250 1238.567       205.8963 166.6787 21.03189 201.2742 17.62006 -34.59546      27.43732 
1 1 1 -23 6  30 o 135.4364 15.71243 562.2809       122.4910 534.3970       167.9437 593.9731       179.0456 128.9132 23.06007 135.9493 23.29380 -7.036163      32.77755 
1 1 1 -23 6  31 o 235.4875 10.47016 1657.124       144.2396 1938.503       209.5443 1403.740       198.8470 252.7970 14.19059 214.0457 15.95502 38.75133       21.35265 
1 1 1 -23 6  32 o 156.3247 12.98377 742.8921       117.9627 634.4533       162.9904 862.1703       170.9426 140.8408 20.31947 165.9956 17.83873 -25.15485      27.03888 
1 1 1 -23 6  33 o 172.5014 12.63668 904.5842       126.9557 786.1236       172.7565 1043.676       187.1966 157.2180 19.12948 182.3499 17.72767 -25.13188      26.08079 
1 1 1 -23 6  34 o 59.91252 22.67943 96.22089       109.3233 110.0783       149.5762 80.32882       160.1811 66.10913 26.11297 64.02914 26.39254 2.079987       37.12753 
1 1 1 -23 6  35 o 141.6697 14.72374 624.1243       120.5512 655.8162       163.9563 586.8288       177.8617 141.8159 20.29056 131.5339 23.93815 10.28198       31.38059 
1 1 1 -23 6  36 o 116.1372 17.38849 433.8460       114.7975 367.6278       159.1288 505.7080       165.7714 101.1279 26.51162 120.9118 24.22201 -19.78397      35.91061 
1 1 1 -23 6  37 o 67.27245 23.66167 147.9878       115.8004 31.41382       165.1883 260.6327       162.3806 58.68855 25.57130 84.45502 28.06330 -25.76648      37.96630 
1 1 1 -23 6  38 o 68.85659 23.78855 160.1734       116.7582 406.6364       162.3703 -103.7281      168.0165 105.4059 26.34153 49.19059 23.06984 56.21526       35.01563 
1 1 1 -23 6  39 o 215.4213 11.35069 1421.760       142.8980 1458.157       208.9804 1389.797       195.8360 212.7701 16.88568 208.5007 16.14089 4.269409       23.35924 
1 1 1 -23 6  40 o 183.9470 12.50301 1050.772       134.0816 1099.754       185.9847 997.7640       193.4770 183.4565 17.49767 172.6713 19.44309 10.78522       26.15726 
1 1 1 -23 6  41 o 67.79604 24.25005 160.3986       122.0780 133.9970       165.5188 191.8922       180.7772 66.51610 27.05410 73.34421 28.78787 -6.828110      39.50526 
1 1 1 -23 6  42 o 76.32034 23.65035 215.3758       116.7593 332.7548       398.7731 204.3693       122.1109 85.15957 38.26620 74.21491 24.32192 10.94466       45.34157 
1 1 1 -23 6  43 o 57.88376 23.53891 90.66261       125.2748 267.0491       380.9564 69.27589       132.6523 81.22496 36.86272 56.21171 23.65759 25.01325       43.80116 
1 1 1 -23 7  1  o 282.1609 30.37894 2452.120       494.8013 0.000000       0.000000 2452.120       494.8013 ?        ?        282.1609 30.37894 0.000000       30.37894 
1 1 1 -23 7  2  o 517.7417 12.47699 7913.716       378.8554 7545.667       588.0889 8174.824       495.3363 502.5381 19.99361 524.7972 16.11287 -22.25919      25.67818 
1 1 1 -23 7  3  f 631.4897 16.75896 11845.68       620.1257 11606.63       829.7272 12148.17       933.3745 621.7040 22.79487 634.4623 25.13389 -12.75830      33.93109 
1 1 1 -23 7  4  o 187.8678 16.48912 1055.136       179.8361 754.1476       235.6335 1475.040       278.3156 155.9316 26.72765 220.9797 21.75695 -65.04802      34.46349 
1 1 1 -23 7  5  o 344.8227 13.66745 3521.198       275.8499 3318.899       334.8325 3948.565       486.6655 333.8074 17.16095 361.9950 23.04294 -28.18765      28.73108 
1 1 1 -23 7  6  o 160.0073 17.69650 770.2493       163.2929 837.2311       212.4009 673.4426       255.3467 165.6951 22.43299 145.9329 30.80393 19.76216       38.10670 
1 1 1 -23 7  7  o 125.0091 21.92554 481.1399       154.8883 442.6579       197.7948 542.1481       249.0460 118.3641 28.77660 130.3527 32.65022 -11.98862      43.52160 
1 1 1 -23 7  8  o 105.1283 24.52462 345.9352       148.4249 315.8371       186.1629 398.4477       245.8979 100.7119 29.57807 112.7828 34.20543 -12.07093      45.22028 
1 1 1 -23 7  9  o 119.7945 20.85510 441.1395       141.2008 437.8774       173.3868 447.5627       243.3036 118.1989 25.74290 118.6619 33.50151 -0.4629593     42.24983 
1 1 1 -23 7  10 o 62.91832 24.98821 67.13934       137.6643 0.1616081      171.1469 189.9006       231.7046 61.74308 26.45958 88.28380 33.10448 -26.54071      42.37943 
1 1 1 -23 7  11 o 43.20882 20.38504 -146.9808      134.6672 -183.5699      169.8576 -85.06123      220.9648 48.49025 22.88200 63.73207 28.57344 -15.24182      36.60639 
1 1 1 -23 7  12 o 66.56532 25.37324 96.65352       137.4175 93.17983       170.7365 103.0422       231.5466 70.87314 27.92862 79.83685 32.16910 -8.963715      42.60116 
1 1 1 -23 7  13 o 235.9049 11.96934 1647.568       165.0578 1628.424       213.9590 1675.706       259.4048 233.7288 15.69980 236.2689 18.87755 -2.540131      24.55292 
1 1 1 -23 7  14 o 257.5793 11.61672 1962.411       175.0354 2275.919       238.1752 1594.260       258.0983 276.7339 14.72823 230.3012 19.28597 46.43263       24.26663 
1 1 1 -23 7  15 o 208.2915 13.43092 1288.712       163.1949 1267.507       208.5589 1322.199       262.0909 205.6601 17.45609 208.8858 21.71036 -3.225723      27.85776 
1 1 1 -23 7  16 o 147.1837 17.99964 654.4775       152.1431 657.2214       192.2022 649.8732       248.9793 146.1301 23.20134 143.1234 30.58990 3.006714       38.39328 
1 1 1 -23 7  17 o 200.8785 14.47941 1201.588       169.4381 993.0595       221.4116 1496.298       263.2181 180.8437 21.28298 222.7349 20.37554 -41.89119      29.46401 
1 1 1 -23 7  18 o 175.2053 17.88984 923.8545       181.2478 1034.145       218.5126 680.6412       324.4892 184.7593 20.51122 144.5067 37.84607 40.25258       43.04689 
1 1 1 -23 7  19 f 219.0564 12.77300 1424.007       163.3846 1488.068       218.3344 1342.479       246.3080 222.9941 16.81866 210.8001 20.16878 12.19392       26.26113 
1 1 1 -23 7  20 o 193.2659 13.46165 1111.650       151.6284 1073.736       194.5275 1170.351       242.0483 188.8943 17.76815 196.2005 21.38094 -7.306213      27.80021 
1 1 1 -23 7  21 o 158.8595 15.04146 756.5543       138.4682 726.9949       172.6263 809.8889       231.8803 154.5599 19.47554 161.3738 25.33441 -6.813889      31.95511 
1 1 1 -23 7  22 o 330.4318 10.12032 3225.944       195.8910 3129.831       262.1458 3347.476       294.7802 324.4181 13.80963 335.0987 15.03775 -10.68057      20.41665 
1 1 1 -23 7  23 o 195.1885 12.95269 1135.384       147.4351 1123.462       191.1384 1152.899       231.6674 193.0302 17.05928 194.3523 20.63996 -1.322083      26.77736 
1 1 1 -23 7  24 o 307.2957 10.00127 2793.400       180.0045 2694.361       242.9917 2913.844       267.9665 300.6029 13.82010 312.3063 14.67117 -11.70343      20.15536 
1 1 1 -23 7  25 o 250.8524 10.76782 1866.325       158.0462 1737.398       211.8269 2028.221       237.3698 240.7051 15.08111 259.9280 15.64359 -19.22287      21.72928 
1 1 1 -23 7  26 o 287.9987 10.21339 2457.546       172.2356 2322.427       238.9471 2603.672       248.4888 278.4272 14.68514 294.9604 14.40816 -16.53326      20.57300 
1 1 1 -23 7  27 o 360.9375 11.31441 3870.240       239.2091 3916.322       308.5028 3800.764       378.8034 361.5460 14.57930 354.0041 18.30767 7.541931       23.40356 
1 1 1 -23 7  28 o 479.7466 13.49561 6884.102       379.3353 7075.193       534.8915 6690.751       538.0447 481.7935 18.96722 467.8507 19.65300 13.94281       27.31293 
1 1 1 -23 7  29 o 203.9084 11.78626 1243.273       140.3483 1240.600       192.7876 1246.287       204.7137 201.8738 16.42534 201.8613 17.46351 0.1249695E-01  23.97428 
1 1 1 -23 7  30 o 182.3290 14.32008 1008.455       151.8989 1141.776       202.5614 837.1569       229.6066 192.1767 18.18883 160.5380 25.21722 31.63869       31.09247 
1 1 1 -23 7  31 o 92.78111 20.75772 279.3415       110.1217 258.2857       152.4909 302.2899       159.1968 87.86480 26.99319 94.45130 27.24166 -6.586502      38.35024 
1 1 1 -23 7  32 o 64.61774 22.96690 123.5718       109.3315 258.9229       150.3674 -28.24405      159.2507 87.32516 26.80039 54.70332 24.41038 32.62184       36.25090 
1 1 1 -23 7  33 o 45.80603 20.25550 -16.48826      107.1787 -24.47808      148.4551 -7.789977      154.8971 52.89150 23.58739 55.33543 24.41525 -2.443928      33.94804 
1 1 1 -23 7  34 o 64.46252 23.05002 125.6105       110.2853 15.94796       150.0483 254.4607       162.6463 56.36767 24.46758 85.56125 28.07169 -29.19358      37.23819 
1 1 1 -23 7  35 o 146.4606 14.33943 665.4402       121.5930 668.0654       163.0807 662.1538       182.4642 143.2540 19.95151 140.4743 22.93869 2.779678       30.40142 
1 1 1 -23 7  36 o 55.59561 21.97411 74.17596       105.9799 183.2268       142.8562 -59.30413      158.0494 73.82597 26.25166 50.90537 23.34627 22.92060       35.13115 
1 1 1 -23 7  37 o 69.19082 23.37382 160.9618       112.5955 205.0853       157.3423 114.6506       161.1958 76.73154 27.52072 66.11208 26.76851 10.61946       38.39196 
1 1 1 -23 7  38 o 108.3966 18.51211 388.0135       113.4630 445.3109       160.1125 330.2146       160.8117 111.3448 25.11881 93.82272 27.47291 17.52209       37.22520 
1 1 1 -23 7  39 o 99.49568 21.47241 343.4949       121.6160 299.9453       174.5193 384.6091       169.5695 87.74560 29.09128 100.2220 27.85105 -12.47639      40.27385 
1 1 1 -23 7  40 o 176.8196 13.21205 977.9717       136.0191 843.2083       188.1974 1125.354       196.8118 157.0306 20.95801 184.4881 18.43665 -27.45753      27.91323 
1 1 1 -23 7  41 o 126.9306 16.51954 526.2320       120.0597 597.9932       399.8690 519.1218       125.8670 101.6270 41.77514 125.2096 17.62786 -23.58257      45.34208 
1 1 1 -23 7  42 o 175.1741 13.64793 970.3661       139.1069 1118.070       418.6770 952.0374       147.4856 137.3343 45.03766 172.4969 14.71916 -35.16254      47.38190 
1 1 1 -23 7  43 o 94.83421 23.89997 335.3521       132.8576 683.5248       401.1685 292.4611       140.8033 104.0594 42.19412 86.80560 25.78337 17.25381       49.44822 
1 1 1 -23 8  1  o 342.4246 13.40527 3470.860       268.6897 3428.578       345.7047 3535.372       427.0168 339.2338 17.43472 343.1652 21.32270 -3.931396      27.54318 
1 1 1 -23 8  2  o 570.3292 15.41326 9645.858       515.0771 8832.016       665.7948 10859.02       812.8852 543.1575 20.94008 601.0306 23.10424 -57.87317      31.18161 
1 1 1 -23 8  3  o 589.4794 13.05355 10267.30       451.2818 9787.762       715.7953 10583.65       581.3839 571.5413 21.39232 596.8670 16.62486 -25.32574      27.09276 
1 1 1 -23 8  4  o 365.1249 11.70046 3937.428       250.2268 3776.001       354.2350 4098.200       353.5145 356.1383 17.00902 371.2859 16.27438 -15.14758      23.54066 
1 1 1 -23 8  5  o 303.9869 13.83779 2738.863       246.0547 2706.704       293.2136 2815.422       452.4094 301.4783 16.64819 304.3829 25.57960 -2.904572      30.52013 
1 1 1 -23 8  6  o 220.5371 13.59423 1443.643       174.9729 1121.297       222.2646 1968.969       283.7420 192.8205 19.94217 256.3340 19.00942 -63.51357      27.55083 
1 1 1 -23 8  7  o 154.0502 17.57590 714.6395       155.9550 835.8176       195.7675 504.1632       258.0062 166.0145 20.54487 125.6061 34.13847 40.40841       39.84378 
1 1 1 -23 8  8  o 210.7573 13.75775 1319.667       169.1220 1189.597       217.1183 1520.350       269.6893 198.9000 18.83726 224.5275 20.71402 -25.62752      27.99845 
1 1 1 -23 8  9  o 61.49522 25.05305 48.30982       142.2171 -42.65240      177.0232 213.8831       238.8333 59.22664 26.11779 91.43051 33.73868 -32.20387      42.66659 
1 1 1 -23 8  10 o 93.09851 24.32140 270.9599       134.2298 171.1603       163.4921 477.3590       235.1183 79.47901 28.10112 122.3248 32.30130 -42.84576      42.81409 
1 1 1 -23 8  11 o 387.4900 10.13514 4428.062       230.1270 4605.585       322.1826 4243.153       328.8163 394.1904 13.95827 378.0727 14.85847 16.11774       20.38645 
1 1 1 -23 8  12 o 121.1394 21.24619 451.8664       145.4432 511.0040       183.6625 352.4101       238.1799 127.9234 25.37670 106.8852 33.87478 21.03821       42.32585 
1 1 1 -23 8  13 o 94.42490 35.70218 216.1963       270.7337 333.0989       474.7853 159.8702       329.5644 119.0735 46.67849 95.22042 38.37479 23.85309       60.42769 
1 1 1 -23 8  14 o 392.0189 10.46490 4533.908       240.3832 4497.944       330.2585 4574.428       350.5552 389.3816 14.48725 392.4354 15.26041 -3.053802      21.04188 
1 1 1 -23 8  15 o 296.0974 11.14542 2590.225       193.1994 2659.239       257.3144 2501.042       292.5070 299.2021 14.70896 289.4254 17.31165 9.776764       22.71666 
1 1 1 -23 8  16 o 591.1855 13.90616 10346.56       482.1494 12293.36       990.4457 9741.938       551.9657 635.9516 26.61443 572.3408 16.46108 63.61084       31.29369 
1 1 1 -23 8  17 o 330.9205 11.62425 3236.967       225.2496 2749.185       310.1133 3781.700       327.7173 303.3761 17.50396 356.5711 15.70978 -53.19498      23.51990 
1 1 1 -23 8  18 o 185.4288 14.28585 1024.766       154.1612 1009.829       196.8212 1048.475       247.9672 183.0491 18.59149 185.1555 23.35380 -2.106354      29.85035 
1 1 1 -23 8  19 o 248.4579 11.51534 1827.109       167.3390 1717.755       217.1953 1986.835       262.4945 239.9791 15.51530 257.5981 17.47861 -17.61899      23.37148 
1 1 1 -23 8  20 o 55.74120 23.25150 24.13643       126.4078 71.79494       154.0807 -73.97446      221.0735 65.83473 26.34000 64.21049 28.69936 1.624237       38.95445 
1 1 1 -23 8  21 o 89.98470 24.69891 254.3802       134.2822 204.0509       168.3978 342.2667       222.5292 83.85835 28.58209 104.4227 32.69595 -20.56432      43.42765 
1 1 1 -23 8  22 o 282.4203 10.76104 2360.452       177.9122 2443.620       235.1572 2249.123       272.0719 286.4501 14.04054 273.7918 17.02816 12.65833       22.07023 
1 1 1 -23 8  23 o 295.1364 10.23681 2577.146       176.9212 2425.792       233.7221 2780.258       270.7509 285.2176 14.01538 304.9587 15.18612 -19.74109      20.66517 
1 1 1 -23 8  24 o 52.62695 22.56584 1.300484       124.6138 -91.01340      154.5189 173.0293       210.7511 50.79734 23.21665 83.15788 31.48678 -32.36055      39.12071 
1 1 1 -23 8  25 o 127.6231 17.81489 499.0544       129.7123 321.5915       168.2603 759.0057       203.6451 99.89029 27.73748 156.0074 22.94219 -56.11716      35.99599 
1 1 1 -23 8  26 o 133.4333 17.27744 544.2148       132.0343 788.2468       176.4945 234.0787       198.9684 160.3081 19.15103 88.74458 31.03077 71.56348       36.46465 
1 1 1 -23 8  27 o 269.2806 10.73444 2153.707       169.1858 2104.016       231.4479 2210.727       247.9314 264.5662 14.97773 270.9006 15.67217 -6.334381      21.67831 
1 1 1 -23 8  28 o 208.5331 11.96342 1299.238       145.6983 1348.058       198.6285 1242.375       214.3674 210.8327 16.18781 201.4060 18.34958 9.426697       24.46942 
1 1 1 -23 8  29 f 268.9279 12.00011 2163.023       188.7888 2299.048       256.0006 2000.853       279.5229 275.2512 15.92648 255.0198 18.82193 20.23138       24.65599 
1 1 1 -23 8  30 o 138.1969 15.93970 587.7510       126.8256 499.3122       180.8961 673.2457       177.8595 122.6707 25.95528 145.4016 21.50506 -22.73082      33.70674 
1 1 1 -23 8  31 o 185.1302 11.71475 1032.300       126.5401 1052.063       178.2322 1012.214       179.6860 184.4635 16.65419 180.6230 17.16873 3.840424       23.91918 
1 1 1 -23 8  32 o 161.7655 12.81741 795.7266       120.6077 962.9641       173.6213 639.7678       167.6646 175.7352 17.06029 140.8207 20.93741 34.91451       27.00794 
1 1 1 -23 8  33 o 55.99194 22.18768 68.85854       108.3069 197.8964       147.8850 -80.42422      159.0634 77.59564 26.77394 50.51159 23.25903 27.08405       35.46584 
1 1 1 -23 8  34 o 78.57140 23.06154 208.3694       113.1992 466.4257       154.0291 -94.69922      166.9229 117.7963 23.12155 50.69355 23.51283 67.10275       32.97665 
1 1 1 -23 8  35 o 54.30453 21.73512 63.89822       104.9566 -29.69337      143.0498 173.0287       154.4692 50.89578 22.89034 73.45259 27.12817 -22.55681      35.49514 
1 1 1 -23 8  36 o 127.0782 16.01513 512.7612       116.7129 686.3360       164.7369 337.8304       165.3791 144.4085 19.98644 95.78703 27.80716 48.62149       34.24465 
1 1 1 -23 8  37 o 48.55004 20.69753 23.70424       103.7415 24.81420       145.0762 22.54276       148.4057 55.21838 24.01290 55.48341 24.20512 -0.2650299     34.09556 
1 1 1 -23 8  38 o 61.88861 23.06260 118.1914       112.0999 194.6839       150.7936 23.69625       167.6016 74.41171 26.90927 57.68940 25.42766 16.72230       37.02262 
1 1 1 -23 8  39 o 166.9990 13.74818 874.4984       133.4595 996.7903       188.6136 751.8775       188.8672 173.6494 18.82090 147.1141 22.61306 26.53537       29.42068 
1 1 1 -23 8  40 o 161.9029 12.73047 817.2961       119.9069 800.6545       421.5572 818.7610       125.0732 115.5488 44.34245 161.6030 13.31468 -46.05421      46.29831 
1 1 1 -23 8  41 o 170.7768 13.61473 919.7202       135.2323 636.0449       409.2047 954.5001       143.2827 103.0119 42.29306 173.4569 14.20927 -70.44499      44.61621 
1 1 1 -23 8  42 o 60.48164 23.95521 110.2264       126.1933 726.3835       408.5195 45.22954       132.6824 107.3563 42.91053 53.85038 23.19030 53.50588       48.77606 
1 1 1 -23 8  43 o 64.14872 25.40228 134.5353       141.8719 585.8079       397.0333 68.48053       151.9006 97.44064 40.96420 57.94069 24.88050 39.49994       47.92812 
1 1 1 -23 9  1  o 237.7148 13.88823 1676.953       192.7782 1495.091       260.9254 1895.546       286.0646 222.9075 20.17741 251.3738 19.55790 -28.46632      28.10052 
1 1 1 -23 9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 9  3  o 433.0566 14.47834 5557.780       367.2003 5611.611       454.1272 5456.117       624.0873 433.9577 17.88179 424.5922 25.17542 9.365448       30.87977 
1 1 1 -23 9  4  o 363.7398 11.39534 3906.621       242.7910 3670.119       343.4719 4142.810       343.2449 351.1461 16.72643 373.4413 15.70732 -22.29523      22.94545 
1 1 1 -23 9  5  o 201.3044 14.19186 1205.181       166.4757 1190.590       214.2150 1227.432       264.5310 199.0915 18.56004 200.9755 22.84823 -1.883942      29.43666 
1 1 1 -23 9  6  o 235.1379 12.89786 1638.782       177.1839 1641.905       229.8624 1634.211       278.1339 234.4914 16.82624 232.9124 20.57284 1.578964       26.57751 
1 1 1 -23 9  7  o 43.76987 20.60973 -144.5814      136.4523 -198.6501      161.7787 -11.29638      254.0031 46.05206 21.90616 73.80167 31.93531 -27.74961      38.72653 
1 1 1 -23 9  8  o 174.2902 15.46530 907.8025       156.4424 820.8984       196.0803 1060.015       259.5012 164.3941 20.80248 186.0542 24.36712 -21.66008      32.03903 
1 1 1 -23 9  9  o 167.4326 15.93604 839.3599       154.5996 948.2244       200.9731 681.5612       241.9619 177.1472 19.67583 147.1618 29.06661 29.98534       35.09995 
1 1 1 -23 9  10 o 244.7690 12.39159 1774.433       177.3041 1653.993       242.2373 1913.418       260.2191 235.0705 17.70087 252.9397 17.65249 -17.86916      24.99862 
1 1 1 -23 9  11 o 107.0170 22.29391 356.0853       135.3748 404.4960       164.8444 255.8076       237.2497 113.5520 25.39094 95.73875 33.85137 17.81321       42.31566 
1 1 1 -23 9  12 o 139.3902 18.78107 589.4230       149.6305 750.8843       189.2706 320.3308       244.3428 157.0113 21.08688 103.4075 34.42659 53.60381       40.37136 
1 1 1 -23 9  13 o 183.9900 14.77413 1009.535       158.0824 1245.552       199.0390 606.2886       260.1667 204.0316 16.78197 137.6365 32.71436 66.39516       36.76770 
1 1 1 -23 9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 9  15 o 484.6701 10.90269 6928.580       309.9062 6891.827       441.2178 6964.368       435.3874 481.6607 15.64003 484.3066 15.34806 -2.645966      21.91286 
1 1 1 -23 9  16 o 573.7136 17.55260 9808.696       589.8969 11009.91       949.9399 9054.746       752.5888 601.3812 27.00256 547.7491 23.48202 53.63208       35.78468 
1 1 1 -23 9  17 o 210.8257 12.80278 1319.010       157.5529 1281.320       201.0633 1378.969       253.5990 206.9169 16.71066 213.6551 20.48958 -6.738220      26.43991 
1 1 1 -23 9  18 o 175.0079 17.43275 921.2043       176.5490 1014.821       206.6414 668.1492       339.7406 183.2046 19.53317 142.7457 39.32828 40.45886       43.91194 
1 1 1 -23 9  19 o 221.4585 12.20151 1454.511       157.8610 1338.196       199.0445 1651.712       259.1712 211.4793 16.17105 234.2269 19.03067 -22.74763      24.97337 
1 1 1 -23 9  20 o 209.2014 12.60561 1300.226       153.9428 1330.222       198.7180 1255.208       243.4440 210.7303 16.20335 203.3118 20.70534 7.418457       26.29182 
1 1 1 -23 9  21 o 53.68456 22.90856 4.245809       127.3076 67.77168       157.4084 -115.8892      216.4649 65.76057 26.51435 60.63995 27.62449 5.120628       38.28999 
1 1 1 -23 9  22 o 187.3734 13.07738 1046.855       142.8054 1075.263       182.4428 1001.917       229.4624 188.9615 16.63232 180.5366 22.13439 8.424911       27.68692 
1 1 1 -23 9  23 o 162.5664 14.59624 793.6030       137.6828 657.5483       167.7136 1074.820       241.1195 146.2707 20.08002 186.6891 22.47377 -40.41844      30.13764 
1 1 1 -23 9  24 o 52.19004 22.30104 4.520875       120.9380 72.96353       151.5221 -115.6101      200.7428 65.05713 26.08920 57.62192 26.38348 7.435211       37.10437 
1 1 1 -23 9  25 o 181.3522 12.96491 983.2454       136.9836 936.1353       176.2742 1055.068       217.6516 175.6092 17.34168 185.3897 20.35249 -9.780472      26.73869 
1 1 1 -23 9  26 o 55.82230 22.97709 37.83242       121.1787 -59.73191      161.4600 163.6694       183.3680 54.22266 24.35828 79.03802 29.48781 -24.81536      38.24731 
1 1 1 -23 9  27 o 328.7827 11.67116 3218.002       224.6902 2951.002       258.8945 4032.945       452.3040 313.7462 14.10607 361.8988 21.40608 -48.15262      25.63594 
1 1 1 -23 9  28 o 347.8238 10.89836 3599.301       222.0418 3950.158       289.9180 3101.512       345.3290 362.9336 13.64494 318.5101 18.56721 44.42355       23.04182 
1 1 1 -23 9  29 o 226.4886 11.00086 1531.860       145.6876 1273.305       206.9399 1785.934       205.1387 203.6144 17.49903 243.0358 14.45752 -39.42145      22.69881 
1 1 1 -23 9  30 o 209.2972 11.30640 1313.530       138.2685 1365.326       200.2545 1266.339       191.1458 210.9231 16.31528 203.1698 16.17532 7.753326       22.97454 
1 1 1 -23 9  31 o 107.1103 19.12098 366.9005       115.7062 212.0248       164.7694 517.5770       162.5204 81.05569 28.24524 125.6638 22.89522 -44.60812      36.35911 
1 1 1 -23 9  32 o 114.1269 17.80969 413.3089       115.3141 398.6127       159.6837 429.3249       166.7000 108.0226 25.59949 112.0331 25.89051 -4.010460      36.40951 
1 1 1 -23 9  33 o 55.43772 21.95889 67.69811       106.0436 146.3210       145.8689 -20.42867      154.4338 70.31401 26.28688 54.06188 24.08681 16.25213       35.65353 
1 1 1 -23 9  34 o 41.90684 19.32945 -65.48293      110.5183 -54.85500      151.2334 -77.66363      161.9047 50.61562 23.07031 50.84577 23.43201 -0.2301521     32.88310 
1 1 1 -23 9  35 o 67.85548 23.03745 150.5167       109.3861 288.3736       150.9075 -2.105368      158.7834 89.70717 26.70412 55.48552 24.58908 34.22165       36.30059 
1 1 1 -23 9  36 o 98.99339 19.39084 325.2366       108.5489 332.1802       158.3703 319.0843       149.0738 95.30189 27.07058 93.98512 26.11213 1.316772       37.61196 
1 1 1 -23 9  37 f 88.92510 21.53351 272.5395       111.0941 366.4949       150.5018 160.0554       164.6744 100.7138 25.46839 71.10063 27.59959 29.61319       37.55498 
1 1 1 -23 9  38 o 52.09924 21.78888 46.28411       111.4340 183.3831       152.6208 -110.2530      163.0817 72.80919 26.95185 47.77661 22.50712 25.03258       35.11371 
1 1 1 -23 9  39 o 116.8053 17.09056 446.5096       113.6123 368.0865       386.1689 453.9408       118.8732 90.25388 39.21379 117.2577 17.84825 -27.00387      43.08459 
1 1 1 -23 9  40 o 131.0044 18.18060 569.9139       135.9236 506.5089       422.0645 577.2508       143.5725 96.18947 41.39139 130.9518 19.26995 -34.76228      45.65718 
1 1 1 -23 9  41 o 180.8677 16.30392 1063.165       171.0886 1851.216       425.8956 911.5224       186.8260 203.7869 36.99718 163.6532 19.87210 40.13365       41.99633 
1 1 1 -23 9  42 o 163.0412 15.32041 857.7905       144.7768 920.5654       419.6723 849.3107       154.2457 120.0955 44.64835 161.0106 16.57092 -40.91516      47.62426 
1 1 1 -23 9  43 o 50.33170 22.80639 -10.29729      145.1244 311.1906       312.1800 -98.92693      163.9126 82.27474 35.50229 47.25644 22.35330 35.01830       41.95334 
1 1 1 -23 10 1  o 283.7385 12.40758 2381.989       205.9703 2686.272       288.6639 2066.394       293.9809 300.3645 16.44957 262.5628 19.22455 37.80173       25.30161 
1 1 1 -23 10 2  o 349.2030 11.52986 3601.700       235.8070 3495.926       332.7901 3708.357       334.1772 342.7092 16.60691 353.1225 16.17918 -10.41327      23.18524 
1 1 1 -23 10 3  o 460.2305 14.64260 6279.417       394.7217 6712.731       513.1067 5651.237       617.8010 474.3455 18.47966 432.3670 24.46364 41.97852       30.65889 
1 1 1 -23 10 4  o 271.5147 14.34405 2188.548       227.5999 2128.448       258.7922 2393.753       478.1965 267.1960 16.59663 278.6105 29.72421 -11.41443      34.04375 
1 1 1 -23 10 5  o 494.9880 15.80837 7276.748       458.3267 0.000000       0.000000 7276.748       458.3267 ?        ?        494.9880 15.80837 0.000000       15.80837 
1 1 1 -23 10 6  o 84.75951 26.39556 217.3668       145.2383 133.7330       178.9449 378.8168       248.6266 76.55645 29.00765 110.4596 34.55621 -33.90314      45.11735 
1 1 1 -23 10 7  o 107.6117 23.41092 361.2532       143.5382 477.5650       176.0166 130.3553       247.9999 123.6796 25.12457 84.30064 33.51994 39.37897       41.89069 
1 1 1 -23 10 8  o 383.0283 11.40249 4332.895       255.8570 4960.321       400.0544 3898.629       332.8243 408.2011 16.74625 362.1439 15.70788 46.05725       22.96027 
1 1 1 -23 10 9  o 170.2671 15.13459 866.1172       149.5572 998.0925       189.7598 649.7223       242.9863 182.2194 17.99107 143.3549 29.87181 38.86453       34.87124 
1 1 1 -23 10 10 o 214.3034 13.54517 1364.020       169.3699 1293.475       228.5560 1449.945       252.2424 207.3860 19.00255 219.4358 19.81341 -12.04977      27.45302 
1 1 1 -23 10 11 o 261.2848 12.07670 2020.387       184.5596 2109.977       245.8190 1904.641       279.4091 266.1696 15.81866 251.9539 19.05016 14.21579       24.76164 
1 1 1 -23 10 12 o 193.5150 14.05495 1114.368       158.4251 1152.961       200.8027 1050.739       257.8340 196.0454 17.65365 185.1958 24.32641 10.84966       30.05704 
1 1 1 -23 10 13 o 77.14725 26.21280 168.9466       141.6215 283.1490       169.4462 -95.68865      257.9397 95.53598 28.26137 68.83215 30.86493 26.70383       41.84912 
1 1 1 -23 10 14 o 283.4368 15.58701 2390.714       258.1039 1849.681       583.7932 2522.161       287.7546 237.5763 43.50177 290.7650 16.94792 -53.18867      46.68657 
1 1 1 -23 10 15 o 246.8752 17.40755 1822.529       250.4220 2274.736       631.2717 1738.077       272.8055 264.7808 42.05637 240.4607 19.51205 24.32007       46.36226 
1 1 1 -23 10 16 o 484.4551 12.30018 6939.389       349.1920 7009.900       426.8802 6796.784       607.0740 485.9407 14.99658 475.2581 21.83856 10.68265       26.49189 
1 1 1 -23 10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 10 18 o 520.9407 10.87125 8009.747       332.1377 8331.224       476.5697 7706.127       463.1453 529.3705 15.36654 509.0317 15.53210 20.33878       21.84895 
1 1 1 -23 10 19 o 182.2362 13.69038 989.9514       145.2493 960.4034       180.6223 1044.031       244.3580 178.5690 17.47031 184.5187 23.08432 -5.949646      28.94991 
1 1 1 -23 10 20 o 228.8289 11.58470 1552.226       154.9641 1563.976       198.9727 1534.110       247.0544 228.8930 14.90316 225.4991 18.85327 3.393875       24.03227 
1 1 1 -23 10 21 o 121.0062 19.33813 450.2687       132.6196 418.2908       160.4695 519.1723       235.5528 115.1084 24.52161 126.4408 31.80021 -11.33238      40.15673 
1 1 1 -23 10 22 o 265.5170 10.70380 2088.170       166.3373 2066.623       214.2060 2120.897       263.9936 263.2341 13.92472 265.5805 17.03899 -2.346436      22.00512 
1 1 1 -23 10 23 f 252.7092 10.79143 1893.288       159.5694 1888.971       209.6273 1899.236       246.0550 251.3994 14.27650 251.1792 16.79973 0.2202454      22.04653 
1 1 1 -23 10 24 o 156.7587 14.99655 740.5189       136.1923 694.8074       170.6836 820.6237       225.9477 150.2886 19.84975 161.6622 24.60662 -11.37355      31.61485 
1 1 1 -23 10 25 o 106.9069 20.90560 358.9461       126.3763 312.2123       161.0648 433.8024       203.8445 98.37392 27.06937 114.9978 29.93706 -16.62389      40.36060 
1 1 1 -23 10 26 o 265.6262 10.38569 2093.683       161.4801 2310.717       223.8791 1858.329       233.1369 277.8489 13.78199 248.1617 16.10564 29.68723       21.19752 
1 1 1 -23 10 27 o 244.3111 10.98618 1776.411       157.0101 1738.574       212.6238 1821.787       232.8428 240.0945 15.17775 245.2896 16.27786 -5.195038      22.25608 
1 1 1 -23 10 28 o 282.7730 9.838591 2374.960       162.9143 2224.163       224.2447 2543.517       237.0822 271.8098 14.11552 290.8054 13.94161 -18.99554      19.83977 
1 1 1 -23 10 29 o 133.6674 15.66556 548.7283       120.4793 531.0283       157.9671 573.3414       186.2786 128.9260 21.65902 132.4401 24.89613 -3.514114      32.99894 
1 1 1 -23 10 30 o 190.8923 11.91564 1097.382       132.7349 1086.166       191.3316 1107.789       184.2971 187.0330 17.65166 189.4081 16.76379 -2.375092      24.34349 
1 1 1 -23 10 31 f 156.2434 13.01095 742.8120       118.1423 753.3842       162.0507 730.8178       172.6051 154.7563 18.20235 151.4114 19.92044 3.344849       26.98424 
1 1 1 -23 10 32 o 169.4717 12.42302 872.6963       122.6160 1039.625       172.1365 700.7543       174.7023 182.8790 16.21736 147.2014 20.81676 35.67757       26.38825 
1 1 1 -23 10 33 o 40.34708 18.80052 -81.57549      108.6521 5.299056       152.0574 -172.2050      155.3088 55.75528 24.40844 44.26357 21.16798 11.49171       32.30875 
1 1 1 -23 10 34 o 235.5573 10.02192 1668.927       138.1353 1734.322       197.9236 1606.822       192.8797 237.1013 14.30002 228.0359 14.49730 9.065475       20.36326 
1 1 1 -23 10 35 o 101.0829 19.69770 338.6671       112.5748 422.4069       156.5244 248.9353       162.0277 109.6883 24.90266 83.31984 28.03893 26.36846       37.50099 
1 1 1 -23 10 36 o 41.90295 19.36526 -63.39925      111.7106 -170.4950      159.9597 38.56081       156.0772 44.48338 21.32897 58.12112 25.09145 -13.63774      32.93184 
1 1 1 -23 10 37 o 60.27567 22.86453 106.4334       111.2530 171.0575       159.0623 44.54145       155.6637 71.97999 27.33131 58.22055 25.09578 13.75943       37.10524 
1 1 1 -23 10 38 o 44.42498 19.90249 -18.09020      106.9866 -296.5641      380.9596 5.752970       111.4727 64.10830 31.25277 47.58646 20.86373 16.52184       37.57700 
1 1 1 -23 10 39 o 84.41539 23.12959 257.1659       117.8787 111.5303       428.8042 269.0714       122.6023 78.97427 36.97927 86.06639 23.59107 -7.092117      43.86348 
1 1 1 -23 10 40 f 126.0177 17.81334 526.0815       127.9853 927.3923       449.3634 490.6535       133.5152 120.8525 45.92672 120.2429 19.60815 0.6096344      49.93739 
1 1 1 -23 10 41 o 181.9136 17.60332 1094.310       185.4623 0.000000       0.000000 1094.310       185.4623 ?        ?        181.9136 17.60332 0.000000       17.60332 
1 1 1 -23 10 42 o 95.51362 24.90447 345.4633       140.9213 473.1465       340.6742 319.1053       154.7847 93.71418 38.54476 89.67750 27.12567 4.036682       47.13280 
1 1 1 -23 11 1  o 467.2045 13.80517 6463.044       377.8528 6288.185       495.8984 6705.090       583.4403 459.0983 18.45536 472.8697 21.09107 -13.77139      28.02559 
1 1 1 -23 11 2  o 372.1158 16.84510 4122.401       366.6694 4122.401       366.6694 0.000000       0.000000 372.1158 16.84510 ?        ?        0.000000       16.84510 
1 1 1 -23 11 3  o 340.2135 13.87223 3430.305       276.2082 3472.965       318.0595 3299.448       557.0560 341.7593 15.91224 327.7492 29.28890 14.01010       33.33226 
1 1 1 -23 11 4  o 398.2549 11.37834 4683.174       265.4882 4381.825       377.9351 4976.747       373.0271 383.6425 16.83833 409.3427 15.56664 -25.70023      22.93141 
1 1 1 -23 11 5  o 181.3596 14.99350 981.2294       158.0519 1014.520       197.3838 921.7428       263.8507 183.6096 18.58582 172.4943 26.96368 11.11531       32.74863 
1 1 1 -23 11 6  o 66.04269 25.54758 88.58012       140.7297 181.8922       172.7133 -95.76183      242.7553 81.76196 28.88505 66.54466 29.88269 15.21730       41.56105 
1 1 1 -23 11 7  o 50.58945 22.25447 -30.47537      127.7953 116.0383       148.5668 -447.3065      250.5895 70.61323 26.50197 51.63659 25.21095 18.97664       36.57795 
1 1 1 -23 11 8  o 345.2887 11.29994 3521.385       228.5198 3746.247       325.9762 3304.087       320.4464 354.9846 15.69643 333.1088 16.45374 21.87582       22.73991 
1 1 1 -23 11 9  o 49.41894 21.99625 -44.93680      128.4599 28.34783       152.3038 -225.5840      239.1222 61.11235 25.50943 58.78306 27.55367 2.329288       37.54911 
1 1 1 -23 11 10 o 219.7275 12.84600 1431.850       164.8180 1500.871       213.2501 1329.452       259.7418 224.2180 16.32884 209.5821 21.43333 14.63596       26.94473 
1 1 1 -23 11 11 o 373.1217 11.16344 4110.774       244.0115 4187.938       355.4313 4041.985       335.5915 375.1936 16.19098 368.7912 15.55091 6.402466       22.44946 
1 1 1 -23 11 12 o 68.59193 26.29352 100.6052       148.1118 61.66166       179.5303 183.5961       262.0808 68.87376 28.11469 90.60905 34.91348 -21.73529      44.82619 
1 1 1 -23 11 13 o 75.35954 25.80993 159.4809       137.3498 214.4558       163.7633 29.08496       252.2125 85.40443 28.17527 76.44741 32.41917 8.957024       42.95170 
1 1 1 -23 11 14 o 366.8114 10.59329 3970.578       227.6508 3937.771       306.5795 4010.900       339.8838 364.3265 14.37657 367.2548 15.81728 -2.928253      21.37457 
1 1 1 -23 11 15 o 320.0032 10.95455 3024.465       205.2857 2928.782       276.6518 3141.705       306.2323 313.8907 15.07216 324.8118 16.12608 -10.92105      22.07307 
1 1 1 -23 11 16 o 403.7828 10.35690 4810.729       245.0584 4438.268       328.7158 5276.717       367.6779 386.6651 14.52136 421.5230 14.89632 -34.85788      20.80313 
1 1 1 -23 11 17 o 144.6467 16.94961 631.1792       141.0627 635.2797       173.6137 623.2135       241.9816 144.0235 21.18674 139.8720 30.37079 4.151474       37.03057 
1 1 1 -23 11 18 o 272.3166 11.10222 2193.625       176.9387 2352.574       232.6575 1975.578       272.4967 281.2747 14.14923 256.4915 18.23387 24.78323       23.07975 
1 1 1 -23 11 19 o 67.37901 24.90540 111.7587       130.2396 96.00735       159.6257 143.1251       225.2563 69.33057 27.09886 82.35014 32.19024 -13.01957      42.07801 
1 1 1 -23 11 20 o 194.4401 13.42936 1126.890       152.2003 1357.724       194.2790 760.1225       244.8902 212.9216 15.66779 155.0380 27.96138 57.88361       32.05181 
1 1 1 -23 11 21 o 244.2710 11.49889 1770.111       164.2698 1844.003       217.7220 1672.456       250.2938 248.3309 15.01952 235.3534 18.27654 12.97748       23.65624 
1 1 1 -23 11 22 o 211.0630 12.67919 1327.056       156.2238 1341.470       200.6456 1304.865       248.9570 211.1351 16.33073 206.5809 20.83294 4.554123       26.47082 
1 1 1 -23 11 23 o 333.3753 10.28047 3290.334       200.7602 3038.957       272.6022 3588.260       296.7705 318.8210 14.61804 346.4824 14.63755 -27.66144      20.68683 
1 1 1 -23 11 24 o 236.2584 11.43888 1659.116       158.0260 1612.538       210.1880 1719.675       239.6676 231.5890 15.56572 238.5311 17.24873 -6.942184      23.23382 
1 1 1 -23 11 25 o 155.7953 15.33808 733.7388       138.3291 780.5244       182.8987 671.2090       211.4453 159.1121 20.04385 145.0977 25.79288 14.01439       32.66541 
1 1 1 -23 11 26 o 394.7305 10.00852 4618.538       231.5105 4719.152       333.9093 4525.398       321.2671 396.7625 14.37361 388.6720 14.11739 8.090515       20.14699 
1 1 1 -23 11 27 o 118.3244 18.35937 434.9890       123.2775 371.1904       159.4291 529.8561       194.4106 106.5938 25.78605 127.3031 26.88390 -20.70937      37.25137 
1 1 1 -23 11 28 o 124.1428 17.14175 476.9258       121.4763 541.8611       160.4400 389.6921       185.9577 130.5487 21.71778 107.6171 28.86869 22.93162       36.12566 
1 1 1 -23 11 29 o 160.7474 12.88239 781.3561       120.4323 900.5284       164.7514 644.6004       176.4877 170.9825 16.63984 141.8949 21.91292 29.08762       27.51473 
1 1 1 -23 11 30 f 140.7784 15.83567 612.9656       128.4794 724.1915       189.7514 518.8051       174.5889 149.6146 22.30587 124.9069 24.70848 24.70763       33.28755 
1 1 1 -23 11 31 o 165.3879 12.83824 831.9189       123.5514 946.0021       173.6268 714.8947       175.8506 174.0132 17.23949 149.0905 20.66649 24.92267       26.91289 
1 1 1 -23 11 32 o 60.59764 22.94714 98.20692       111.9435 66.98306       155.2961 131.9798       161.5107 62.19792 25.84421 69.94510 27.28168 -7.747181      37.57942 
1 1 1 -23 11 33 o 44.64491 19.74923 -15.03158      101.9777 -166.3919      137.1735 171.9755       152.4731 41.00476 19.68477 73.80882 27.00399 -32.80406      33.41715 
1 1 1 -23 11 34 o 130.1999 15.79020 533.9448       118.1114 574.2665       163.2647 489.6711       171.0785 131.1057 22.01280 118.5073 25.37984 12.59844       33.59613 
1 1 1 -23 11 35 o 139.5259 14.47082 608.6425       116.6954 506.9144       169.9705 699.3511       160.5009 120.2426 24.92200 146.4317 19.14749 -26.18911      31.42822 
1 1 1 -23 11 36 o 46.37977 20.73463 -18.63745      115.4664 6.843923       166.7014 -42.13702      160.0877 56.70352 25.15827 52.09024 23.73997 4.613281       34.59082 
1 1 1 -23 11 37 o 61.59252 22.80639 117.3915       109.2964 578.6353       422.4436 84.30161       113.1490 104.8908 43.00784 57.21907 22.67686 47.67174       48.62010 
1 1 1 -23 11 38 o 73.59116 23.71134 192.6146       116.3279 34.77918       442.6161 204.3258       120.5664 77.77223 36.77131 75.45926 24.12246 2.312973       43.97752 
1 1 1 -23 11 39 f 72.16553 23.30562 186.1499       112.3390 -580.6775      449.1040 237.3330       116.0276 61.58983 30.72308 80.95816 23.22778 -19.36833      38.51542 
1 1 1 -23 11 40 o 125.4582 23.84894 568.3916       169.0641 0.000000       0.000000 568.3916       169.0641 ?        ?        125.4582 23.84894 0.000000       23.84894 
1 1 1 -23 11 41 o 141.7068 18.28006 672.6885       148.3858 0.000000       0.000000 672.6885       148.3858 ?        ?        141.7068 18.28006 0.000000       18.28006 
1 1 1 -23 11 42 o 208.3030 17.15709 1431.305       207.7426 1656.079       401.8592 1349.328       242.6862 189.8140 37.42971 196.3691 21.41962 -6.555038      43.12520 
1 1 1 -23 12 1  o 265.5014 12.70699 2087.365       197.2865 2010.742       256.2666 2198.853       309.1169 259.5922 16.92483 270.7357 19.60097 -11.14346      25.89687 
1 1 1 -23 12 2  o 523.5913 15.44901 8136.308       473.8801 8312.241       606.2171 7859.906       759.8442 527.2966 19.63732 509.3865 25.51594 17.91016       32.19763 
1 1 1 -23 12 3  o 567.7673 15.80258 9571.704       525.6857 8908.237       652.2372 10801.65       888.0541 545.4488 20.42533 597.3730 25.40599 -51.92419      32.59844 
1 1 1 -23 12 4  o 320.7022 17.09378 3066.125       320.3457 0.000000       0.000000 3066.125       320.3457 ?        ?        320.7022 17.09378 0.000000       17.09378 
1 1 1 -23 12 5  o 221.2180 15.43111 1458.120       198.9466 1538.576       221.7478 1126.139       450.4369 226.9463 16.77908 184.9617 42.42810 41.98451       45.62544 
1 1 1 -23 12 6  o 205.2573 12.97699 1250.223       155.4155 1317.246       196.9852 1139.713       252.9419 210.0502 16.11346 193.5468 22.71537 16.50342       27.85016 
1 1 1 -23 12 7  o 85.46941 26.25185 222.3341       144.2392 357.4265       175.9859 -54.13262      251.7584 106.4929 27.86227 70.55669 31.12910 35.93623       41.77711 
1 1 1 -23 12 8  o 202.6416 13.24655 1219.355       156.5649 1265.131       197.1822 1141.261       257.5493 205.7359 16.47977 193.5317 23.14991 12.20427       28.41656 
1 1 1 -23 12 9  o 265.0774 12.35334 2080.034       191.5189 2297.064       258.9300 1817.874       284.5808 277.7389 15.96351 245.8874 19.90418 31.85149       25.51490 
1 1 1 -23 12 10 o 75.10027 25.29067 160.9976       131.8209 225.4850       154.2650 -13.52287      253.7774 86.44344 27.24485 73.58944 31.88215 12.85400       41.93749 
1 1 1 -23 12 11 o 106.6105 23.22777 354.5359       141.1144 429.3115       167.9114 174.7221       260.3823 117.1025 25.19678 89.63337 34.72956 27.46912       42.90712 
1 1 1 -23 12 12 o 186.6357 15.11375 1039.279       164.0170 1055.441       203.7640 1009.536       276.4200 187.2218 18.81224 180.6388 26.91231 6.582962       32.83554 
1 1 1 -23 12 13 o 355.3164 16.36540 3758.477       340.1140 0.000000       0.000000 3758.477       340.1140 ?        ?        355.3164 16.36540 0.000000       16.36540 
1 1 1 -23 12 14 o 489.8505 10.90196 7078.438       313.1977 7323.337       443.7800 6835.411       442.0817 496.6147 15.25503 479.5768 15.73920 17.03787       21.91890 
1 1 1 -23 12 15 o 187.2072 13.92120 1043.545       151.7505 1271.397       187.6697 613.1683       257.9241 206.3564 15.62299 138.3301 32.36977 68.02629       35.94273 
1 1 1 -23 12 16 o 289.6950 12.26819 2485.277       207.9638 2515.774       243.1873 2402.277       401.1912 290.9636 14.29497 280.6933 24.61979 10.27029       28.46894 
1 1 1 -23 12 17 o 428.9954 13.29307 5456.291       334.0443 4968.458       413.9926 6366.511       565.4975 407.7765 17.35056 459.7258 21.02970 -51.94931      27.26335 
1 1 1 -23 12 18 o 279.7708 10.96070 2315.388       179.4941 2307.105       237.3681 2326.450       274.3054 278.3370 14.59219 278.7959 16.85508 -0.4588623     22.29408 
1 1 1 -23 12 19 o 98.12334 24.01398 303.9442       137.0512 261.0709       170.0329 383.4542       231.5529 91.81951 28.55449 109.6262 33.18108 -17.80672      43.77606 
1 1 1 -23 12 20 o 169.5961 15.02941 863.1296       147.9427 888.0277       190.2942 825.0878       235.2197 170.7989 19.33698 162.3858 25.54125 8.413101       32.03551 
1 1 1 -23 12 21 o 192.9117 13.02867 1110.088       146.5393 1164.865       188.9153 1027.342       232.1905 196.6396 16.53420 182.6509 22.12622 13.98872       27.62154 
1 1 1 -23 12 22 o 455.5396 10.32345 6137.183       275.8044 6051.503       391.8833 6221.274       388.2351 450.0735 14.86686 456.5438 14.51825 -6.470337      20.77987 
1 1 1 -23 12 23 o 120.5454 18.36510 447.3337       125.7397 474.0097       155.5962 397.1222       213.4713 122.8510 22.42174 110.1604 31.47443 12.69055       38.64420 
1 1 1 -23 12 24 o 34.66740 17.10433 -265.6239      125.2683 -438.5864      156.9170 38.28546       208.0013 35.16597 17.63300 69.67410 29.48914 -34.50813      34.35887 
1 1 1 -23 12 25 o 143.0614 16.42435 623.2795       135.3074 833.6439       176.3461 322.1526       210.9864 164.9350 18.55201 99.84665 31.90982 65.08836       36.91089 
1 1 1 -23 12 26 o 106.9156 21.73510 363.3693       131.6370 405.7108       171.2832 302.2760       205.7445 111.4162 26.58483 96.72485 31.56289 14.69135       41.26705 
1 1 1 -23 12 27 o 142.6902 15.61709 621.2473       128.5587 624.9256       168.0800 616.0617       199.5666 141.0045 20.96177 137.8176 25.63387 3.186966       33.11330 
1 1 1 -23 12 28 o 232.3890 10.61947 1612.073       144.3509 1645.404       200.7506 1576.390       207.7135 232.8839 14.77446 227.4581 15.66657 5.425781       21.53430 
1 1 1 -23 12 29 o 193.5808 12.70252 1132.100       143.4157 1215.504       179.7043 985.7997       238.0058 199.2101 15.50341 174.2730 23.91684 24.93713       28.50212 
1 1 1 -23 12 30 o 300.8519 10.23129 2707.890       180.2608 2249.335       263.9847 3108.501       246.7426 269.6660 16.77482 320.3052 13.16303 -50.63916      21.32276 
1 1 1 -23 12 31 o 168.2632 13.41960 864.9470       131.3313 800.5851       188.8465 925.2297       182.7639 157.4399 20.97363 171.0718 18.51088 -13.63194      27.97401 
1 1 1 -23 12 32 o 117.5541 17.39966 438.8560       116.3400 582.2966       164.3055 294.6299       164.7547 133.0569 21.81043 91.43229 28.05182 41.62460       35.53308 
1 1 1 -23 12 33 o 66.98501 23.11910 142.8383       110.2688 180.8251       149.3023 97.25097       163.5581 74.57681 26.80096 65.70519 26.82974 8.871613       37.92264 
1 1 1 -23 12 34 o 116.4871 17.43347 436.2863       115.4438 503.9308       160.1791 363.1711       166.5304 121.4238 23.34095 99.91891 27.53675 21.50484       36.09809 
1 1 1 -23 12 35 o 189.3355 15.14208 1123.916       166.7386 1324.554       477.3348 1096.031       177.9482 162.0660 47.29786 185.8532 16.49695 -23.78717      50.09228 
1 1 1 -23 12 36 o 253.0718 9.134963 1927.135       135.3593 1892.633       555.4452 1929.314       139.5670 190.7715 49.29422 253.0096 9.422245 -62.23813      50.18664 
1 1 1 -23 12 37 o 123.4681 16.88553 494.2655       119.0698 302.7790       501.7564 505.6924       122.5711 89.98431 41.38944 124.6737 17.22299 -34.68938      44.82987 
1 1 1 -23 12 38 o 48.55861 21.24681 10.99503       115.0839 127.4066       483.2271 3.995298       118.4934 81.70238 38.56664 48.44536 21.36565 33.25702       44.08941 
1 1 1 -23 12 39 o 120.6755 19.57433 493.1308       133.7918 8.770247       428.9095 545.3409       140.8181 74.89204 35.63732 127.0394 19.52422 -52.14735      40.63513 
1 1 1 -23 12 40 o 168.0501 14.07222 895.7165       137.4199 591.0866       419.7971 932.2775       145.4326 99.22524 41.94015 170.9335 14.64831 -71.70823      44.42464 
1 1 1 -23 12 41 o 111.2741 23.20087 449.6444       146.4962 1256.956       398.9058 323.7891       157.5018 154.0336 42.68406 90.21200 27.37858 63.82159       50.71011 
1 1 1 -23 12 42 o 129.0794 19.09603 569.3123       140.2044 -98.15354      432.0520 647.8729       148.2259 69.15739 33.61657 138.0889 18.78966 -68.93147      38.51137 
1 1 1 -23 13 1  o 247.8282 13.80359 1822.519       199.8360 2068.120       259.1479 1462.241       313.8716 263.3070 16.87040 218.8797 24.89269 44.42734       30.07086 
1 1 1 -23 13 2  o 424.5204 11.98429 5324.423       298.0757 5795.666       451.7102 4960.950       396.7103 441.0827 17.49653 408.3573 16.59926 32.72540       24.11771 
1 1 1 -23 13 3  o 387.7603 11.37873 4439.722       258.4863 3821.089       348.2374 5198.786       385.7427 358.2854 16.61806 418.3317 15.75080 -60.04630      22.89646 
1 1 1 -23 13 4  o 431.7593 11.61981 5505.273       293.9654 4718.875       406.0361 6371.524       426.1526 397.9312 17.44063 463.1789 15.71068 -65.24771      23.47342 
1 1 1 -23 13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 13 6  o 161.7991 17.06373 786.5500       159.4844 851.5977       200.6115 674.8326       262.9062 167.4741 20.87687 145.6912 31.67451 21.78285       37.93571 
1 1 1 -23 13 7  o 151.9791 16.57906 693.9795       145.3793 674.6812       172.0352 742.1857       271.9000 148.9620 20.21311 153.0381 31.34938 -4.076157      37.30085 
1 1 1 -23 13 8  o 455.8986 11.74259 6138.969       313.7047 6399.038       486.0999 5953.350       410.6689 463.2603 17.92546 447.6925 15.66503 15.56784       23.80578 
1 1 1 -23 13 9  o 67.42181 24.94390 109.6966       130.6950 122.2693       151.0745 72.29768       260.5589 71.73914 26.76539 80.90636 33.53460 -9.167229      42.90635 
1 1 1 -23 13 10 o 39.38297 18.98949 -198.9162      130.9639 -204.4895      148.0980 -178.9245      280.4916 42.87325 20.54793 67.57450 31.03188 -24.70126      37.21820 
1 1 1 -23 13 11 o 151.6081 20.26275 698.7592       175.6584 533.4580       199.8958 1259.103       368.0384 130.3640 27.03322 199.9954 32.49199 -69.63135      42.26730 
1 1 1 -23 13 12 o 413.0747 11.57719 5040.478       280.1907 4571.083       389.2188 5545.390       403.6754 391.6922 16.98368 431.8771 15.96503 -40.18491      23.30938 
1 1 1 -23 13 13 o 193.3176 25.77277 1150.156       284.9286 0.000000       0.000000 1150.156       284.9286 ?        ?        193.3176 25.77277 0.000000       25.77277 
1 1 1 -23 13 14 o 344.9091 12.58839 3521.638       254.2122 3351.547       308.6945 3880.050       448.1043 335.5751 15.72892 358.9339 21.38391 -23.35876      26.54563 
1 1 1 -23 13 15 o 241.0284 11.34574 1719.103       159.9303 1593.869       197.1422 1960.174       273.5212 231.3674 14.60320 255.6057 18.36858 -24.23828      23.46611 
1 1 1 -23 13 16 o 137.5167 16.71969 571.2130       132.0771 542.6873       157.1233 639.9123       243.8361 132.9292 20.83878 141.6493 30.27023 -8.720108      36.74972 
1 1 1 -23 13 17 o 190.5308 14.89641 1085.019       165.1330 1087.656       187.0384 1075.695       351.6508 190.2415 16.94092 182.8544 34.04350 7.387085       38.02571 
1 1 1 -23 13 18 o 288.4923 10.66929 2461.501       180.2069 2460.927       237.1258 2462.286       277.2557 287.5482 14.10408 286.8338 16.55190 0.7143860      21.74605 
1 1 1 -23 13 19 o 191.7648 13.20597 1096.240       147.6148 1112.547       182.9328 1065.803       249.9229 192.3610 16.37065 185.8700 23.44769 6.491028       28.59707 
1 1 1 -23 13 20 o 76.00661 25.74985 168.2999       136.6545 207.7498       170.1298 96.56417       229.4167 84.08118 28.72714 77.98479 31.80139 6.096397       42.85530 
1 1 1 -23 13 21 o 198.4761 12.63050 1174.204       146.2582 942.0970       186.3105 1546.957       236.1040 176.0577 18.31117 226.1730 17.94671 -50.11533      25.63949 
1 1 1 -23 13 22 o 97.91216 22.54501 303.9008       126.7834 72.40429       153.5043 800.7383       224.8824 65.25150 26.22746 159.5968 24.83340 -94.34525      36.11893 
1 1 1 -23 13 23 o 255.4306 11.03945 1937.228       164.9850 2095.325       223.7739 1748.932       244.2117 264.5063 14.48047 240.4407 17.43689 24.06555       22.66559 
1 1 1 -23 13 24 o 60.93908 23.75835 77.10296       122.4437 162.1206       152.2238 -78.72623      206.0878 75.93221 27.08825 60.57762 27.33924 15.35458       38.48646 
1 1 1 -23 13 25 o 389.2377 10.10967 4492.737       230.5870 4314.324       322.3125 4679.788       330.0227 379.1888 14.52026 395.0986 14.26597 -15.90973      20.35573 
1 1 1 -23 13 26 o 71.58913 24.50614 151.9699       123.8200 104.4544       156.2100 232.2859       203.0915 68.54071 26.80233 87.75055 31.29028 -19.20984      41.20008 
1 1 1 -23 13 27 f 144.9024 15.39787 641.4047       128.8528 686.5816       174.0581 586.6273       191.6622 147.7248 20.65422 134.1522 25.28785 13.57259       32.65076 
1 1 1 -23 13 28 o 234.3019 12.59646 1653.177       172.4548 1528.653       198.4550 2037.203       348.5092 223.9425 15.20046 252.0120 23.86424 -28.06947      28.29409 
1 1 1 -23 13 29 f 296.8463 9.477059 2626.866       164.7779 2788.738       235.7761 2472.319       230.3799 303.5005 13.27829 285.3682 13.80636 18.13229       19.15538 
1 1 1 -23 13 30 o 147.6478 14.68637 671.2847       125.4877 765.9991       171.9122 563.2582       183.5963 155.2580 19.29512 129.4476 25.08954 25.81039       31.65102 
1 1 1 -23 13 31 o 61.03230 22.95821 101.3002       111.6279 25.27655       153.4500 186.7511       162.6861 57.92134 24.94128 76.73254 27.92139 -18.81120      37.43891 
1 1 1 -23 13 32 o 46.46277 20.55589 -14.80170      110.5111 -21.00534      153.6132 -8.146667      159.1039 53.71838 23.97240 55.62400 24.63403 -1.905617      34.37312 
1 1 1 -23 13 33 o 37.60168 17.96199 -126.9519      111.1609 -96.10349      153.7348 -160.7521      160.9220 48.04751 22.38020 45.56961 21.72481 2.477894       31.19039 
1 1 1 -23 13 34 o 101.5119 24.82169 363.7264       146.5218 -155.8283      464.3816 421.1682       154.4092 76.42772 36.56416 109.5949 24.62533 -33.16717      44.08338 
1 1 1 -23 13 35 o 48.45176 20.72546 20.96512       104.6520 845.1321       493.3506 -17.86729      107.0891 121.5785 47.60546 44.85883 20.01740 76.71962       51.64277 
1 1 1 -23 13 36 o 243.0808 9.245181 1780.562       131.5601 1651.463       539.3699 1788.728       135.6574 172.5588 50.25396 243.4414 9.519990 -70.88263      51.14774 
1 1 1 -23 13 37 o 101.9512 21.44904 359.8495       124.1786 0.000000       0.000000 359.8495       124.1786 ?        ?        101.9512 21.44904 0.000000       21.44904 
1 1 1 -23 13 38 o 47.61061 21.16582 -4.042484      118.5789 -374.0120      426.1698 27.00394       123.4541 64.49395 31.76822 51.38786 22.25023 13.10609       38.78521 
1 1 1 -23 13 39 o 85.56421 24.68217 272.6886       130.6782 -318.6750      412.1833 338.7710       137.7862 64.36736 31.61404 95.76355 24.45142 -31.39619      39.96648 
1 1 1 -23 13 40 o 85.37403 25.09355 276.8787       133.9462 -16.02079      358.9737 324.2556       144.3733 69.26830 32.85782 91.94534 25.75330 -22.67703      41.74768 
1 1 1 -23 13 41 o 117.6503 20.65236 482.4543       137.3039 443.9621       440.9459 486.5872       144.4872 89.47809 40.22010 117.0851 21.84484 -27.60699      45.76957 
1 1 1 -23 14 1  f 274.7307 13.84146 2238.449       222.2993 2417.491       288.9815 1978.936       347.9151 284.6250 17.39504 255.5398 23.47692 29.08525       29.21906 
1 1 1 -23 14 2  o 199.7083 16.08713 1191.005       186.8261 1162.118       211.8234 1292.184       396.4324 196.6634 18.58586 201.9215 34.72810 -5.258118      39.38877 
1 1 1 -23 14 3  o 489.1966 26.73396 7271.763       764.0881 0.000000       0.000000 7271.763       764.0881 ?        ?        489.1966 26.73396 0.000000       26.73396 
1 1 1 -23 14 4  o 282.3543 19.33173 2389.371       318.1906 0.000000       0.000000 2389.371       318.1906 ?        ?        282.3543 19.33173 0.000000       19.33173 
1 1 1 -23 14 5  o 88.67169 25.45865 243.4458       139.3386 165.9168       160.5739 479.7947       280.3624 78.53852 27.84156 122.8258 36.35748 -44.28727      45.79322 
1 1 1 -23 14 6  o 323.4074 11.85405 3091.520       224.4563 3148.784       311.1989 3029.428       324.0491 325.2349 16.36773 318.6849 17.40405 6.550049       23.89150 
1 1 1 -23 14 7  o 74.60680 25.38962 157.0502       132.8727 172.2283       154.5956 114.1378       259.9437 78.81580 27.36563 84.27833 34.03993 -5.462524      43.67602 
1 1 1 -23 14 8  o 211.8490 13.28735 1332.220       164.2564 1448.429       202.6201 1109.456       280.5338 220.3973 15.78007 189.9351 25.85488 30.46222       30.29002 
1 1 1 -23 14 9  o 131.1567 20.53199 526.1481       152.7557 414.3969       182.0658 791.8628       280.7436 114.6215 27.44721 158.1700 31.37279 -43.54848      41.68454 
1 1 1 -23 14 10 o 199.7994 14.64806 1188.954       170.4496 974.9311       204.5078 1675.865       308.4640 179.6259 19.73771 235.1390 22.64795 -55.51312      30.04175 
1 1 1 -23 14 11 o 333.8712 11.55070 3294.208       225.8307 3471.729       311.5539 3097.677       327.8118 341.6866 15.58835 322.1546 17.41515 19.53201       23.37272 
1 1 1 -23 14 12 o 244.6796 12.56740 1774.126       179.7366 1874.857       228.1233 1609.236       291.8686 250.8547 15.58284 230.5382 21.84780 20.31651       26.83564 
1 1 1 -23 14 13 o 242.2744 12.12440 1738.665       171.7259 1804.801       222.2711 1640.729       270.4785 246.0835 15.47945 233.3289 19.95721 12.75465       25.25676 
1 1 1 -23 14 14 o 177.1539 37.72552 1022.442       379.9333 0.000000       0.000000 1022.442       379.9333 ?        ?        177.1539 37.72552 0.000000       37.72552 
1 1 1 -23 14 15 o 198.8366 12.47555 1174.160       144.7478 1023.515       179.6646 1452.802       244.3480 184.6182 16.77650 219.4987 19.17360 -34.88043      25.47701 
1 1 1 -23 14 16 o 307.0117 10.21520 2784.331       183.6738 2474.710       235.5128 3265.016       293.4471 288.4901 13.96125 331.0685 15.15356 -42.57834      20.60454 
1 1 1 -23 14 17 o 338.4799 10.89847 3388.322       216.0641 3089.604       298.4909 3717.117       313.1579 321.6618 15.87173 353.1608 15.15487 -31.49896      21.94498 
1 1 1 -23 14 18 o 296.5364 12.77001 2611.929       221.5648 2359.804       263.9077 3214.035       407.8311 280.7697 16.09439 325.3297 21.49546 -44.55997      26.85301 
1 1 1 -23 14 19 o 194.6017 13.13549 1129.510       149.0360 1158.014       188.1003 1081.435       244.2802 196.1112 16.50758 187.3098 22.69969 8.801361       28.06735 
1 1 1 -23 14 20 o 171.8883 14.15095 885.5511       141.3912 834.2677       175.6638 979.9003       238.2666 165.5659 18.40142 177.7128 23.43127 -12.14685      29.79323 
1 1 1 -23 14 21 o 267.7022 14.84008 2145.810       232.0791 1268.150       566.1431 2323.084       254.4401 185.6286 50.61886 278.2519 15.65496 -92.62335      52.98440 
1 1 1 -23 14 22 o 352.6364 9.946527 3680.605       205.5015 3838.903       290.8154 3522.726       290.4310 358.5949 13.85417 343.2150 14.46107 15.37994       20.02650 
1 1 1 -23 14 23 o 176.9353 13.77543 939.3545       141.8198 1041.338       184.3089 791.3286       222.0495 185.2257 17.16173 158.3210 24.72214 26.90468       30.09500 
1 1 1 -23 14 24 o 432.6491 10.34916 5548.188       262.5979 5686.632       380.4897 5422.266       362.8752 435.2747 14.92698 425.2558 14.57131 10.01892       20.85996 
1 1 1 -23 14 25 f 87.62959 23.83893 247.4251       125.7415 336.2344       157.8066 92.98683       208.1007 101.3836 26.31420 73.78392 30.21175 27.59967       40.06478 
1 1 1 -23 14 26 o 89.60724 33.85351 230.8742       243.3098 -228.1400      529.6101 353.6716       273.9289 88.27679 41.25748 103.4087 36.39060 -15.13190      55.01323 
1 1 1 -23 14 27 o 144.8157 15.14394 641.6061       126.7196 720.8211       163.6754 523.0771       200.2127 151.9762 18.76148 124.5891 28.07548 27.38715       33.76723 
1 1 1 -23 14 28 o 129.4525 15.54326 517.4014       115.6485 516.6818       149.1756 518.4855       183.0884 126.9903 20.74539 124.4339 25.93060 2.556465       33.20794 
1 1 1 -23 14 29 o 190.7181 11.81461 1097.881       131.4995 1111.677       176.1961 1080.535       197.5708 189.7122 15.98475 185.5194 18.40085 4.192886       24.37424 
1 1 1 -23 14 30 o 157.8161 14.23277 765.3686       130.3179 659.3506       185.0951 869.5786       183.5100 141.2849 23.13845 165.2724 19.29515 -23.98744      30.12790 
1 1 1 -23 14 31 o 146.1080 15.34410 663.6752       129.5223 677.6829       185.6946 650.4036       180.7497 142.9615 22.92210 140.1030 22.77964 2.858521       32.31617 
1 1 1 -23 14 32 o 64.97070 23.14443 130.0614       111.0867 129.4260       151.0098 130.8107       163.9925 68.10584 26.43175 69.37930 27.36176 -1.273453      38.04343 
1 1 1 -23 14 33 o 103.1669 17.62772 344.2525       102.8286 -257.9778      460.8259 375.8096       105.4883 73.81325 35.59843 108.1069 17.21471 -34.29370      39.54232 
1 1 1 -23 14 34 o 71.15954 23.72550 171.4569       116.0409 1073.285       429.5403 100.4583       120.5221 147.5652 45.29821 60.74250 23.60238 86.82272       51.07837 
1 1 1 -23 14 35 o 194.8916 10.81404 1155.551       123.1191 1198.067       527.2938 1153.099       126.6191 141.1792 50.41008 194.4644 11.14891 -53.28520      51.62823 
1 1 1 -23 14 36 o 171.8122 16.23437 944.4086       161.6439 17.45705       502.2098 1051.536       170.7292 80.57361 38.40312 181.3644 16.22223 -100.7908      41.68885 
1 1 1 -23 14 37 o 175.5755 12.65478 957.2813       129.4331 115.5034       452.1140 1032.431       135.0872 80.59263 37.81188 182.3183 12.71344 -101.7257      39.89198 
1 1 1 -23 14 38 o 96.94104 23.13680 338.0993       129.7080 367.0622       450.9279 335.4867       135.4318 89.29267 40.35612 95.76878 24.12756 -6.476112      47.01867 
1 1 1 -23 14 39 o 195.4763 12.15219 1186.897       138.6265 363.3564       382.4456 1311.466       148.7419 87.63471 38.52651 205.2619 12.41393 -117.6272      40.47713 
1 1 1 -23 14 40 f 151.2268 16.49290 748.4855       143.9092 764.2633       365.7941 745.5964       156.5318 114.9294 41.86071 149.2424 18.26398 -34.31295      45.67157 
1 1 1 -23 14 41 o 41.38704 19.79092 -124.7606      135.7064 -466.2462      408.8891 -82.48922      143.8608 59.43785 29.59594 45.26907 21.26753 14.16878       36.44485 
1 1 1 -23 15 1  o 203.6930 18.45534 1245.414       218.0795 1471.269       249.9980 526.4612       446.0380 221.2549 19.46427 132.1765 46.44250 89.07841       50.35637 
1 1 1 -23 15 2  o 404.7687 17.57250 4882.035       416.1550 4882.035       416.1550 0.000000       0.000000 404.7687 17.57250 ?        ?        0.000000       17.57250 
1 1 1 -23 15 3  f 409.3214 14.88468 4970.194       356.7227 4947.225       415.9815 5034.027       693.4606 407.4999 17.44625 405.3121 29.37233 2.187775       34.16293 
1 1 1 -23 15 4  o 495.6087 12.55531 7260.566       364.6424 6551.490       513.4045 7982.368       517.9905 468.4786 18.72385 517.9406 17.07597 -49.46198      25.34110 
1 1 1 -23 15 5  o 203.3497 14.49500 1230.590       171.7336 1006.468       204.3004 1770.340       317.0468 182.6895 19.36241 241.8316 22.61658 -59.14212      29.77268 
1 1 1 -23 15 6  o 325.6245 11.61539 3133.020       221.4650 2936.661       287.8481 3417.871       346.6947 314.2589 15.66741 338.5154 17.52262 -24.25656      23.50553 
1 1 1 -23 15 7  o 322.8924 13.02747 3086.970       246.1930 3069.157       304.1735 3120.805       419.2085 321.1161 16.20371 321.6872 22.35925 -0.5711060     27.61334 
1 1 1 -23 15 8  o 220.8927 13.86250 1449.646       178.6810 1424.596       220.0371 1498.147       306.1760 218.1706 17.33939 221.8030 23.91465 -3.632370      29.53922 
1 1 1 -23 15 9  o 102.0560 23.35089 325.5524       136.7280 417.5793       155.4751 11.49368       287.2161 115.7634 23.69882 79.77007 34.23266 35.99335       41.63543 
1 1 1 -23 15 10 o 65.23615 24.46484 98.40699       126.5526 97.78031       144.5405 100.4652       261.9456 67.70483 25.96925 83.25268 33.96928 -15.54784      42.75879 
1 1 1 -23 15 11 o 174.7261 14.53806 910.9714       147.6270 835.7195       172.7175 1115.015       284.4061 166.5278 17.96892 190.0860 26.20838 -23.55824      31.77674 
1 1 1 -23 15 12 o 106.3767 21.81173 351.8778       131.5056 424.2482       152.9994 147.2111       257.2959 116.7222 23.16808 86.58323 34.23336 30.13902       41.33622 
1 1 1 -23 15 13 o 497.9421 11.97507 7328.295       349.7094 7659.729       554.8578 7109.870       450.4376 505.8846 18.73400 488.8316 15.73224 17.05298       24.46357 
1 1 1 -23 15 14 o 177.4351 13.94705 939.1611       143.9692 924.1006       172.8420 973.2873       260.1801 175.2709 17.02908 177.1700 25.79699 -1.899094      30.91075 
1 1 1 -23 15 15 o 121.7063 18.84738 453.3814       130.1833 467.0491       154.0239 419.1950       243.5943 122.6445 22.23200 114.3837 33.89759 8.260811       40.53775 
1 1 1 -23 15 16 o 432.5724 11.22376 5534.799       284.4989 5067.889       410.0049 5968.366       395.0937 411.5997 17.02165 447.6693 15.06995 -36.06964      22.73411 
1 1 1 -23 15 17 o 323.0136 19.68008 3151.453       371.0500 4261.798       692.2596 2703.869       439.5186 367.0462 32.49398 296.1448 25.55573 70.90140       41.33950 
1 1 1 -23 15 18 o 245.9947 12.08240 1797.719       173.7795 1502.925       223.3671 2249.776       276.6025 223.3596 17.18354 273.4661 17.33578 -50.10645      24.40908 
1 1 1 -23 15 19 f 288.0768 10.71525 2458.502       180.7189 2537.014       240.6290 2356.924       273.7040 291.5678 14.11399 280.0098 16.74347 11.55804       21.89860 
1 1 1 -23 15 20 o 160.4897 14.30164 773.6770       133.2032 708.3985       162.7743 906.0113       231.7592 152.2520 18.61618 170.4484 23.83503 -18.19637      30.24352 
1 1 1 -23 15 21 f 66.69354 24.18434 117.4371       121.9080 300.7892       148.3925 -263.1994      213.8082 96.83205 25.70448 52.02466 24.86788 44.80739       35.76496 
1 1 1 -23 15 22 o 380.2670 10.12527 4282.651       225.6105 4234.011       318.2825 4331.771       319.8462 376.1777 14.45366 380.5522 14.35674 -4.374512      20.37215 
1 1 1 -23 15 23 o 348.0043 10.23362 3590.927       208.6376 3456.459       289.7581 3735.704       300.6599 339.4939 14.58705 352.9810 14.55480 -13.48712      20.60642 
1 1 1 -23 15 24 o 102.1373 22.80175 334.3995       133.1238 131.8649       164.3767 720.4408       226.9381 72.90152 27.75981 149.2085 26.92408 -76.30693      38.67187 
1 1 1 -23 15 25 o 141.5480 16.50018 614.0242       134.4100 742.3140       171.5523 410.0768       216.3015 154.6357 19.33789 110.0035 31.76194 44.63223       37.18568 
1 1 1 -23 15 26 o 94.55457 22.05925 289.8527       120.0778 276.1643       151.0035 313.3954       198.0339 91.34352 26.58679 96.63849 30.91803 -5.294968      40.77723 
1 1 1 -23 15 27 o 295.0630 10.29722 2598.813       177.9177 2663.305       266.9780 2547.289       238.6291 295.4750 15.46029 289.9128 14.07685 5.562195       20.90881 
1 1 1 -23 15 28 o 46.73924 20.76017 -23.84842      113.8245 2.112410       146.2454 -63.73936      181.2843 55.19921 24.05557 55.82837 25.37312 -0.6291656     34.96378 
1 1 1 -23 15 29 o 284.6060 9.457532 2419.038       157.6409 2462.359       222.3786 2375.278       223.5013 284.6033 13.36031 279.2709 13.68765 5.332336       19.12719 
1 1 1 -23 15 30 f 310.6093 10.13826 2893.012       184.4363 2908.761       290.0568 2882.323       238.9683 306.2615 16.20648 307.6210 13.27692 -1.359497      20.95058 
1 1 1 -23 15 31 o 100.7618 20.38241 334.4774       116.3062 421.9912       157.7420 230.2264       172.1666 110.7841 24.88753 82.17513 28.85544 28.60893       38.10545 
1 1 1 -23 15 32 f 112.3739 16.96642 403.3557       108.3366 486.9916       443.8755 398.0579       111.7152 105.3757 43.73127 111.2223 17.72064 -5.846611      47.18523 
1 1 1 -23 15 33 o 40.80901 18.79616 -57.38802      103.9734 -50.45626      459.4346 -57.76219      106.7427 79.49004 37.54738 41.38769 19.05622 38.10234       42.10636 
1 1 1 -23 15 34 o 212.5224 10.97726 1373.338       136.3562 1492.768       537.6985 1365.130       140.9642 164.2284 50.72947 211.5893 11.40176 -47.36084      51.99499 
1 1 1 -23 15 35 o 93.79309 22.06936 305.6305       119.3594 393.6824       492.7055 300.1408       123.0239 94.91405 42.60139 92.44550 22.82856 2.468559       48.33241 
1 1 1 -23 15 36 o 239.5600 10.03888 1741.481       140.7299 1569.876       480.2408 1757.602       147.1917 174.2384 46.23658 240.3157 10.46872 -66.07735      47.40691 
1 1 1 -23 15 37 o 210.9869 11.12289 1365.368       137.1471 736.0047       460.1972 1426.713       143.6757 108.8851 44.79328 215.4381 11.41202 -106.5530      46.22415 
1 1 1 -23 15 38 o 150.5133 14.37900 719.2798       125.3860 239.2826       425.5360 764.9160       131.2113 83.08448 38.17937 155.0663 14.59970 -71.98185      40.87561 
1 1 1 -23 15 39 o 51.21230 22.45473 21.60832       129.1389 -183.9275      366.7580 50.69735       137.9750 64.25888 31.17437 55.15400 23.69867 9.104881       39.15952 
1 1 1 -23 15 40 o 79.59177 25.12503 241.1709       131.1450 -211.2038      386.6724 299.9723       139.4081 64.42482 31.42451 88.38991 25.49206 -23.96509      40.46412 
1 1 1 -23 16 1  o 430.5479 13.03117 5483.878       328.6664 5199.818       443.8865 5828.596       488.9887 417.5080 18.17180 441.7639 18.91754 -24.25589      26.23143 
1 1 1 -23 16 2  o 597.4661 28.56246 10890.74       997.9293 0.000000       0.000000 10890.74       997.9293 ?        ?        597.4661 28.56246 0.000000       28.56246 
1 1 1 -23 16 3  o 326.7772 13.61314 3164.066       260.3205 2974.425       308.0070 3638.261       487.0483 315.9913 16.67922 346.7387 24.10076 -30.74744      29.30943 
1 1 1 -23 16 4  o 553.0682 18.08229 9118.779       585.7314 0.000000       0.000000 9118.779       585.7314 ?        ?        553.0682 18.08229 0.000000       18.08229 
1 1 1 -23 16 5  o 214.5647 14.01685 1368.410       175.4183 1098.736       208.0516 2031.536       326.2497 191.0733 18.80971 259.4619 21.63684 -68.38858      28.66981 
1 1 1 -23 16 6  o 345.8828 12.02413 3536.994       243.5411 3794.562       336.4771 3253.587       352.9514 357.1291 16.10642 329.9337 18.31238 27.19534       24.38770 
1 1 1 -23 16 7  f 286.3050 11.85164 2424.357       198.5719 2479.664       252.9660 2335.566       320.5215 288.8269 14.98517 278.9051 19.72242 9.921844       24.76952 
1 1 1 -23 16 8  o 178.2465 14.37731 947.2044       149.0224 1004.001       173.1599 785.0114       292.6182 183.1307 16.29253 156.8332 32.86687 26.29747       36.68348 
1 1 1 -23 16 9  o 185.1326 14.31432 1021.430       154.2126 965.9645       185.8917 1143.856       276.1772 179.1808 17.93020 193.0026 24.98482 -13.82181      30.75278 
1 1 1 -23 16 10 o 268.0992 12.06793 2128.035       189.2624 2410.162       249.1483 1743.117       291.0175 284.6374 14.97775 240.2383 20.86168 44.39912       25.68156 
1 1 1 -23 16 11 o 62.69529 24.46493 76.23927       129.9285 117.5750       151.1376 -40.81945      254.3382 70.99145 26.71190 71.58440 31.44600 -0.5929489     41.25986 
1 1 1 -23 16 12 o 59.07323 23.88653 49.85264       128.1608 53.61533       149.3225 39.32766       249.7392 63.10156 25.68481 76.56868 32.35535 -13.46712      41.31075 
1 1 1 -23 16 13 o 479.7361 11.79898 6804.247       331.9688 7344.745       530.2110 6455.752       425.7445 495.2888 18.28462 465.6169 15.61293 29.67181       24.04352 
1 1 1 -23 16 14 o 435.2968 13.01186 5619.042       331.8086 5346.485       421.7802 6061.621       537.4695 422.9134 17.04019 448.4757 20.48864 -25.56232      26.64868 
1 1 1 -23 16 15 o 310.9561 25.61077 2973.121       462.9230 0.000000       0.000000 2973.121       462.9230 ?        ?        310.9561 25.61077 0.000000       25.61077 
1 1 1 -23 16 16 o 517.5242 14.53599 7975.325       440.7531 7208.515       542.2144 9468.942       756.7399 489.4037 18.92661 557.4775 23.19630 -68.07382      29.93801 
1 1 1 -23 16 17 o 470.7818 15.37674 6619.488       423.9858 0.000000       0.000000 6619.488       423.9858 ?        ?        470.7818 15.37674 0.000000       15.37674 
1 1 1 -23 16 18 o 382.9967 13.05182 4363.179       292.7398 3988.616       354.3724 5167.997       519.4532 364.5630 16.61806 411.9185 21.57753 -47.35544      27.23508 
1 1 1 -23 16 19 o 206.8892 12.88143 1276.876       155.5223 1190.503       200.0784 1408.731       247.2054 198.3559 17.37430 214.9289 19.83521 -16.57298      26.36858 
1 1 1 -23 16 20 o 82.69598 23.98425 215.4612       123.0849 158.3331       148.7787 339.3638       219.1068 75.33245 26.79000 102.7700 32.48009 -27.43755      42.10298 
1 1 1 -23 16 21 o 118.3985 19.85867 435.8658       133.0165 543.7820       166.3752 244.6833       221.4468 131.6690 22.34326 91.39077 32.66421 40.27824       39.57489 
1 1 1 -23 16 22 o 140.3149 16.21774 599.2676       131.0044 503.6576       160.6434 789.0930       226.3540 126.3492 22.50418 157.5827 25.35212 -31.23341      33.89938 
1 1 1 -23 16 23 o 130.9655 17.85638 528.4463       133.5831 620.9441       165.5464 355.8136       226.1600 141.0923 20.61477 103.8387 33.02089 37.25361       38.92747 
1 1 1 -23 16 24 o 366.5943 10.26500 3992.481       220.4790 4011.927       314.6185 3973.716       309.0645 365.0045 14.72747 363.3853 14.53142 1.619202       20.68962 
1 1 1 -23 16 25 o 246.3414 11.22997 1813.186       161.8165 2027.291       221.8898 1569.971       236.4939 258.8351 14.67733 225.8982 17.99952 32.93692       23.22513 
1 1 1 -23 16 26 o 220.3181 11.35993 1455.057       146.2876 1447.058       198.3304 1464.600       216.6446 217.6109 15.64466 218.1012 17.07308 -0.4903870     23.15698 
1 1 1 -23 16 27 o 150.5899 14.67022 695.3896       127.9230 731.4841       167.7400 645.2164       197.7662 152.1953 19.22035 139.4332 25.10765 12.76205       31.61987 
1 1 1 -23 16 28 f 183.8472 21.86627 1091.223       231.1528 729.8499       488.9601 1195.229       262.3159 127.5874 48.03746 190.8033 23.96927 -63.21587      53.68541 
1 1 1 -23 16 29 o 210.1768 10.90064 1330.189       133.9062 1421.650       185.3453 1230.324       193.6731 214.9752 14.79100 198.5915 16.78574 16.38374       22.37264 
1 1 1 -23 16 30 o 84.50141 26.99945 246.7464       151.0549 432.4614       469.8873 225.3420       159.5224 105.2709 44.42733 81.47305 27.81762 23.79781       52.41762 
1 1 1 -23 16 31 o 207.8301 10.25518 1301.183       124.6117 2789.445       511.6000 1207.319       128.4812 275.6377 32.25702 199.7714 11.00875 75.86626       34.08383 
1 1 1 -23 16 32 o 94.84187 21.15838 303.6788       114.6949 1254.141       493.8566 249.4911       117.9191 156.1701 48.67942 84.92941 23.07766 71.24072       53.87266 
1 1 1 -23 16 33 o 67.03212 25.34458 137.5751       136.4330 0.000000       0.000000 137.5751       136.4330 ?        ?        67.03212 25.34458 0.000000       25.34458 
1 1 1 -23 16 34 f 57.93876 23.17902 82.56841       119.3084 286.9152       431.3289 65.63824       124.1524 90.02898 40.17362 56.46729 23.25147 33.56170       46.41714 
1 1 1 -23 16 35 o 97.01975 23.88048 336.6594       134.9488 -63.61020      444.0450 377.3903       141.6486 75.45380 36.00398 102.8499 23.93426 -27.39610      43.23350 
1 1 1 -23 16 36 o 58.56070 23.42261 90.69257       121.8016 -710.8495      482.6294 145.2163       125.8761 62.00258 31.06579 66.20744 24.48242 -4.204865      39.55341 
1 1 1 -23 16 37 o 55.26661 22.69190 69.67925       117.8089 -27.74857      497.9968 75.45486       121.2505 76.78288 37.02455 56.36296 23.06783 20.41992       43.62272 
1 1 1 -23 16 38 o 123.7155 17.67088 507.8712       124.5747 -113.1231      436.8705 562.8346       129.9708 70.77904 34.26297 130.5260 17.41241 -59.74699      38.43362 
1 1 1 -23 16 39 o 75.37287 25.02812 213.4358       129.1610 900.0992       427.0375 144.2940       135.5078 118.1748 44.80330 65.45642 25.13507 52.71834       51.37224 
1 1 1 -23 16 40 o 52.02066 22.84210 25.85689       134.0688 646.9014       431.9554 -40.34835      141.0340 99.60062 42.33960 47.66871 21.93225 51.93192       47.68296 
1 1 1 -23 17 1  o 479.5410 12.97957 6803.070       364.7011 6290.631       496.0432 7405.961       538.0438 459.0453 18.46292 498.1440 18.44859 -39.09866      26.10038 
1 1 1 -23 17 2  o 493.8290 12.74812 7212.248       368.9010 6358.227       502.9788 8206.450       542.6912 461.4191 18.62503 524.7706 17.65842 -63.35150      25.66537 
1 1 1 -23 17 3  o 411.1246 14.20937 5011.155       342.0942 4649.793       386.7196 6311.427       733.5717 395.1707 16.72414 454.7670 27.63490 -59.59631      32.30147 
1 1 1 -23 17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 17 5  o 386.3875 22.41197 4501.674       505.6914 0.000000       0.000000 4501.674       505.6914 ?        ?        386.3875 22.41197 0.000000       22.41197 
1 1 1 -23 17 6  o 415.2914 11.82167 5097.314       287.6341 5456.805       422.1414 4785.784       392.9749 427.9863 16.85106 400.8035 16.75489 27.18283       23.76309 
1 1 1 -23 17 7  o 134.6498 18.32281 550.2314       140.9429 581.8831       162.9523 456.2264       280.8260 137.8996 20.79465 119.8333 36.59666 18.06629       42.09196 
1 1 1 -23 17 8  o 147.0365 16.97478 651.7346       143.6951 731.1448       168.0645 435.9128       277.0674 155.3860 18.82570 117.3986 36.44075 37.98740       41.01628 
1 1 1 -23 17 9  o 230.5966 12.19321 1576.188       164.3143 1503.089       206.8929 1701.055       270.4065 224.3432 15.82626 237.6299 19.57632 -13.28668      25.17345 
1 1 1 -23 17 10 f 256.7522 11.85664 1952.482       178.0541 1902.036       224.3004 2038.432       292.7786 252.5958 15.21144 260.2538 19.31970 -7.657959      24.58941 
1 1 1 -23 17 11 o 90.38824 23.94935 256.3520       128.9713 207.8327       150.0739 393.4056       252.2279 83.28286 26.94037 111.5972 34.78947 -28.31432      44.00103 
1 1 1 -23 17 12 f 149.5651 16.39640 674.1636       141.4686 614.5833       166.2215 830.7242       269.4492 141.6013 20.62093 161.9691 29.45026 -20.36772      35.95192 
1 1 1 -23 17 13 o 515.0990 14.28401 7886.286       431.0941 8147.510       586.5818 7579.489       635.6937 520.7383 19.24004 500.5961 21.70417 20.14227       29.00431 
1 1 1 -23 17 14 o 445.6342 13.14261 5895.426       343.1120 5778.675       443.9834 6068.541       540.6360 439.2529 17.26826 448.1689 20.62427 -8.915955      26.89895 
1 1 1 -23 17 15 o 416.2330 12.89664 5145.115       314.4412 4686.299       385.5700 6056.218       543.3345 395.5549 16.65786 447.2130 20.77258 -51.65805      26.62676 
1 1 1 -23 17 16 o 264.4466 11.18577 2073.435       173.0902 1860.848       220.5256 2414.555       279.3471 249.3434 15.15184 283.4789 16.87888 -34.13554      22.68204 
1 1 1 -23 17 17 o 162.8768 15.50247 799.2629       146.3013 690.1080       181.8766 999.3785       246.2610 149.4243 21.36130 179.2328 24.03270 -29.80846      32.15393 
1 1 1 -23 17 18 o 326.0626 10.70177 3150.203       204.3706 2997.091       284.1027 3314.402       294.2095 316.2981 15.36133 332.7663 15.11479 -16.46826      21.55058 
1 1 1 -23 17 19 o 262.8893 11.25615 2052.198       173.1438 2135.584       235.0052 1953.191       256.0737 266.8803 15.07578 254.3158 17.27132 12.56453       22.92548 
1 1 1 -23 17 20 o 190.5806 13.80952 1088.683       153.3034 1343.592       196.5629 692.8559       244.9409 211.0755 15.99776 145.8858 29.64061 65.18971       33.68225 
1 1 1 -23 17 21 o 183.1910 13.84195 1007.688       147.6137 1043.747       185.1643 944.8093       244.5108 185.2869 17.23741 172.9881 24.81002 12.29887       30.21035 
1 1 1 -23 17 22 o 123.5788 18.76686 473.6368       131.7442 585.5724       161.9036 254.2644       226.6539 136.8832 20.82317 92.03251 33.02808 44.85070       39.04432 
1 1 1 -23 17 23 o 155.9706 15.08966 738.3617       136.3078 858.5645       170.8376 527.7810       226.1182 167.2851 17.68028 125.1231 30.97963 42.16205       35.66973 
1 1 1 -23 17 24 o 199.0795 12.31114 1189.584       143.0361 1275.948       185.0280 1061.323       225.4865 204.8449 15.51687 183.8302 21.30903 21.01471       26.35997 
1 1 1 -23 17 25 f 51.72999 21.61995 27.89093       109.6028 -36.53823      131.3028 175.9442       199.0406 49.47461 22.11506 79.77581 30.50562 -30.30120      37.67849 
1 1 1 -23 17 26 o 263.3365 10.15805 2071.754       156.5873 2050.868       215.0388 2095.329       228.4664 259.7534 14.16945 262.0575 14.92709 -2.304108      20.58133 
1 1 1 -23 17 27 o 135.4132 15.32074 567.1349       119.5375 759.2521       155.2013 286.9620       187.4241 155.8769 17.26627 91.21534 30.14414 64.66155       34.73893 
1 1 1 -23 17 28 o 197.3689 11.80502 1178.002       136.0213 1227.276       188.2390 1124.159       196.7707 198.8015 16.28773 189.0948 17.95841 9.706619       24.24448 
1 1 1 -23 17 29 o 181.9666 10.14774 995.1824       107.8668 1696.151       481.7688 958.1884       110.6766 204.6841 41.55407 178.3314 10.63048 26.35274       42.89228 
1 1 1 -23 17 30 o 128.2482 16.30471 518.4270       119.8666 1367.665       476.7768 461.1273       123.8445 173.9893 46.02267 119.8624 18.18783 54.12694       49.48620 
1 1 1 -23 17 31 o 64.99235 23.34717 131.2563       113.2882 0.000000       0.000000 131.2563       113.2882 ?        ?        64.99235 23.34717 0.000000       23.34717 
1 1 1 -23 17 32 o 133.3906 15.86643 563.5771       121.6942 1111.201       490.7706 527.6993       125.6174 143.1839 48.79402 128.2642 17.12677 14.91965       51.71250 
1 1 1 -23 17 33 o 56.27846 22.52194 75.05093       112.6764 -70.73600      471.4564 83.88264       116.0392 78.30848 37.29128 57.84612 22.95207 20.46236       43.78854 
1 1 1 -23 17 34 o 82.72153 24.38591 245.8226       126.3411 -258.2414      463.5942 286.2629       131.3114 71.44583 34.75018 89.18775 24.40169 -17.74192      42.46195 
1 1 1 -23 17 35 o 137.1918 18.50274 621.3015       145.0808 529.3807       489.5827 630.1506       151.9038 98.81609 43.51073 137.4635 19.37926 -38.64737      47.63129 
1 1 1 -23 17 36 o 195.2938 11.77245 1176.490       134.2100 1070.049       522.1974 1184.018       138.8750 124.2364 48.87801 195.5931 12.16678 -71.35669      50.36954 
1 1 1 -23 17 37 o 72.85664 23.40272 191.3647       113.3789 660.3146       500.6196 166.0109       116.4034 101.2950 44.31794 68.61140 23.75003 32.68358       50.28065 
1 1 1 -23 17 38 o 122.2061 19.03328 506.1661       131.9723 467.4124       444.6691 509.9093       138.1991 91.50170 40.81316 121.8065 20.04215 -30.30476      45.46869 
1 1 1 -23 17 39 o 69.05778 24.81520 172.4396       127.9940 -89.39406      427.9148 198.1670       134.1349 70.08669 33.92353 72.82790 25.47744 -2.741203      42.42529 
1 1 1 -23 18 1  o 333.0403 13.18146 3286.455       256.9521 3505.787       313.4094 2836.741       448.7757 343.2859 15.60785 305.1120 25.30700 38.17386       29.73297 
1 1 1 -23 18 2  o 351.9032 34.36263 3881.430       700.1603 0.000000       0.000000 3881.430       700.1603 ?        ?        351.9032 34.36263 0.000000       34.36263 
1 1 1 -23 18 3  o 333.4046 18.65393 3328.242       363.2932 0.000000       0.000000 3328.242       363.2932 ?        ?        333.4046 18.65393 0.000000       18.65393 
1 1 1 -23 18 4  o 387.9186 31.06442 4660.929       700.8294 0.000000       0.000000 4660.929       700.8294 ?        ?        387.9186 31.06442 0.000000       31.06442 
1 1 1 -23 18 5  o 265.5869 12.04978 2088.604       187.1990 1848.985       223.2810 2655.554       343.4506 249.0871 15.35915 297.2141 19.81675 -48.12694      25.07203 
1 1 1 -23 18 6  o 109.4744 46.65842 114.6908       526.9612 0.000000       0.000000 114.6908       526.9612 ?        ?        109.4744 46.65842 0.000000       46.65842 
1 1 1 -23 18 7  o 171.2833 14.45044 876.2734       143.8071 890.1390       169.4202 840.5314       272.0095 172.0462 17.01324 163.2115 29.50294 8.834641       34.05692 
1 1 1 -23 18 8  o 65.15298 23.98536 104.5153       120.5866 142.7858       137.7010 -21.37619      249.7488 72.75505 25.78334 72.14247 31.43771 0.6125793      40.65845 
1 1 1 -23 18 9  o 139.3286 17.12341 587.2183       136.9812 636.4658       158.9100 444.8027       270.2330 144.5891 19.21505 117.8668 35.88076 26.72225       40.70193 
1 1 1 -23 18 10 o 207.1154 12.46163 1274.130       150.6692 1196.688       180.0079 1455.338       275.3549 200.0044 15.46631 218.6924 21.75714 -18.68799      26.69419 
1 1 1 -23 18 11 o 78.06588 32.71814 57.90906       252.0720 0.000000       0.000000 57.90906       252.0720 ?        ?        78.06588 32.71814 0.000000       32.71814 
1 1 1 -23 18 12 o 46.80412 23.29112 -606.0381      251.6692 0.000000       0.000000 -606.0381      251.6692 ?        ?        46.80412 23.29112 0.000000       23.29112 
1 1 1 -23 18 13 o 291.4906 11.46163 2518.041       195.5574 2863.437       267.2958 2120.236       286.8592 309.8207 14.75301 265.1385 18.56516 44.68225       23.71321 
1 1 1 -23 18 14 o 406.3490 12.61255 4902.641       300.2110 4390.845       368.6311 5910.602       517.3269 382.8631 16.45557 442.1403 20.00233 -59.27722      25.90133 
1 1 1 -23 18 15 o 272.8475 11.34661 2208.065       181.1706 2267.240       234.5761 2120.586       285.2096 275.4812 14.57097 264.9124 18.47316 10.56885       23.52809 
1 1 1 -23 18 16 o 494.1130 14.53936 7285.428       420.8715 7598.360       553.7493 6857.411       647.6176 501.6832 18.85413 472.8871 23.42419 28.79617       30.06943 
1 1 1 -23 18 17 o 378.4197 10.86702 4243.661       240.9265 3779.546       338.9184 4717.785       342.5537 354.7639 16.33323 397.2951 14.72710 -42.53128      21.99232 
1 1 1 -23 18 18 o 346.8997 10.69736 3566.900       217.3762 3026.798       290.0927 4258.503       328.2672 317.5944 15.62242 377.2282 14.86703 -59.63382      21.56591 
1 1 1 -23 18 19 o 255.8927 11.97803 1949.172       179.2615 2028.864       242.0473 1852.359       266.7818 259.5970 15.97566 246.8820 18.56129 12.71490       24.48965 
1 1 1 -23 18 20 o 166.0921 15.19215 833.4959       146.3483 1037.499       183.1710 473.4020       243.3581 184.7658 17.09770 118.7437 33.49857 66.02212       37.60965 
1 1 1 -23 18 21 o 126.2708 19.37939 495.7951       138.9369 216.1169       165.0080 1177.097       257.5406 83.88912 28.29582 193.8319 23.10995 -109.9428      36.53386 
1 1 1 -23 18 22 o 210.9716 12.39381 1332.611       152.6729 1222.036       191.9657 1522.939       251.8532 200.4145 16.47758 222.3202 19.51379 -21.90578      25.54014 
1 1 1 -23 18 23 o 33.36461 16.46126 -242.0616      116.0081 -344.8949      140.7959 -24.65553      204.7194 34.72660 17.30362 63.17822 27.96312 -28.45161      32.88390 
1 1 1 -23 18 24 o 119.8084 18.19999 449.8582       123.8648 527.4980       155.0120 312.7230       206.0145 128.5046 21.31467 96.22333 31.59460 32.28125       38.11212 
1 1 1 -23 18 25 o 58.27451 22.90019 74.57950       114.5111 70.19050       141.6230 82.86718       194.6110 61.58671 25.03404 69.55708 28.91908 -7.970375      38.24939 
1 1 1 -23 18 26 o 125.1240 17.02353 490.5837       121.6857 656.7097       156.9289 240.0667       192.7093 143.9697 19.05307 85.51371 30.48137 58.45599       35.94626 
1 1 1 -23 18 27 o 118.9668 25.47267 480.9648       172.3662 503.6118       468.7068 477.4230       185.3549 111.7876 45.50419 117.2820 27.43821 -5.494400      53.13649 
1 1 1 -23 18 28 o 98.41158 19.52801 315.3033       108.7288 -482.2199      464.9636 361.4370       111.8294 70.51346 34.40859 105.9514 18.67929 -35.43796      39.15184 
1 1 1 -23 18 29 o 90.72843 22.04983 277.0671       116.1628 282.9820       465.4534 276.6743       119.9586 96.61350 42.48710 90.38488 22.67190 6.228622       48.15775 
1 1 1 -23 18 30 f 151.0567 17.23594 725.0287       149.9660 0.000000       0.000000 725.0287       149.9660 ?        ?        151.0567 17.23594 0.000000       17.23594 
1 1 1 -23 18 31 o 129.0585 15.21065 524.3622       112.9203 1351.602       478.5443 475.5855       116.2017 165.9589 47.02850 122.0179 16.67396 43.94103       49.89690 
1 1 1 -23 18 32 o 38.99733 18.42614 -100.4110      110.8021 -46.27274      448.9684 -103.9222      114.3388 78.32172 37.03205 39.52920 18.68958 38.79252       41.48100 
1 1 1 -23 18 33 o 40.12369 19.09178 -121.0628      123.0631 210.2138       463.9491 -146.1348      127.6351 87.22504 40.00190 39.58241 18.99832 47.64264       44.28418 
1 1 1 -23 18 34 o 118.7079 19.30348 470.3960       129.7767 378.8327       473.3281 477.8387       134.9481 92.65287 41.65700 119.1291 20.02484 -26.47624      46.22012 
1 1 1 -23 18 35 o 64.19709 24.82919 128.0311       132.9089 132.7470       467.2029 127.6159       138.6370 81.41560 38.27349 64.53106 25.24528 16.88454       45.84958 
1 1 1 -23 18 36 o 211.2096 11.39733 1372.479       140.6552 1502.183       505.7477 1361.605       146.4322 157.5271 49.28620 209.8876 11.94527 -52.36053      50.71310 
1 1 1 -23 18 37 o 49.52229 21.63162 18.67161       118.8474 -328.5499      473.2211 42.04665       122.7826 67.27560 33.20239 52.48215 22.44928 14.79345       40.07954 
1 1 1 -23 18 38 o 58.59051 23.54400 96.48233       123.6657 376.0453       432.3304 71.56973       129.0582 86.99975 39.39833 56.21078 23.47419 30.78896       45.86137 
1 1 1 -23 18 39 o 52.91012 23.10760 33.58474       135.5704 -360.6328      437.5117 75.45695       142.5886 63.46848 31.43256 57.77118 24.43188 5.697304       39.81108 
1 1 1 -23 19 1  o 415.9083 13.19692 5126.511       321.4924 4825.492       393.2263 5733.352       558.3201 402.2201 16.70609 435.8914 21.91035 -33.67126      27.55280 
1 1 1 -23 19 2  o 319.2337 11.74989 3015.404       219.6096 3033.067       280.3217 2987.337       353.3584 319.2686 15.01302 315.4023 19.19380 3.866364       24.36786 
1 1 1 -23 19 3  o 320.0917 11.53221 3030.796       216.1360 2917.762       272.1784 3223.746       355.6089 313.1587 14.86208 327.9057 18.56742 -14.74698      23.78299 
1 1 1 -23 19 4  o 300.0151 11.51405 2663.147       202.2157 2577.544       252.4593 2816.376       337.7657 294.3280 14.67171 306.2650 18.89678 -11.93704      23.92378 
1 1 1 -23 19 5  o 341.1168 18.20713 3486.654       362.9268 0.000000       0.000000 3486.654       362.9268 ?        ?        341.1168 18.20713 0.000000       18.20713 
1 1 1 -23 19 6  o 230.3236 12.47180 1574.254       167.8399 1523.493       199.8339 1695.813       309.2420 225.9262 15.16968 235.9813 22.62115 -10.05513      27.23666 
1 1 1 -23 19 7  o 228.0332 12.38364 1543.195       164.9924 1751.896       199.1803 1086.871       294.5238 242.6013 14.05942 186.5266 27.76873 56.07472       31.12506 
1 1 1 -23 19 8  o 86.46506 40.08416 -302.9006      484.1931 0.000000       0.000000 -302.9006      484.1931 ?        ?        86.46506 40.08416 0.000000       40.08416 
1 1 1 -23 19 9  o 235.5098 20.85108 1683.122       285.0245 0.000000       0.000000 1683.122       285.0245 ?        ?        235.5098 20.85108 0.000000       20.85108 
1 1 1 -23 19 10 o 120.1367 19.65321 444.3636       133.6878 374.8771       153.6832 660.4919       271.0392 108.8801 24.64373 142.4465 33.07937 -33.56635      41.24994 
1 1 1 -23 19 11 o 70.16743 24.83390 134.1771       127.7113 114.4704       146.4264 196.8256       261.0765 69.63729 26.27267 90.62564 34.86565 -20.98835      43.65623 
1 1 1 -23 19 12 o 187.1541 13.42466 1045.594       146.3723 1112.186       173.4263 880.6899       272.9099 192.4997 15.49226 166.3150 29.03513 26.18465       32.90971 
1 1 1 -23 19 13 o 213.3659 12.01915 1353.509       149.7924 1217.510       179.3306 1667.394       272.4413 201.4608 15.29219 234.1933 20.02777 -32.73257      25.19847 
1 1 1 -23 19 14 o 348.1455 12.08930 3598.750       246.4637 3391.245       303.9606 3997.034       421.1137 336.6325 15.43719 363.1865 19.84599 -26.55396      25.14300 
1 1 1 -23 19 15 o 253.2343 11.34120 1903.698       168.0075 2044.452       216.7066 1691.638       265.9937 261.5620 14.17993 235.8992 19.39745 25.66273       24.02773 
1 1 1 -23 19 16 o 456.3873 14.15714 6216.160       378.4724 5943.044       461.3089 6778.537       661.9602 444.0318 17.75020 468.9254 24.15145 -24.89359      29.97269 
1 1 1 -23 19 17 o 443.2910 11.26525 5829.752       292.6362 5865.535       448.9425 5803.316       385.8797 441.1480 17.38630 440.3448 14.96373 0.8032227      22.93898 
1 1 1 -23 19 18 o 339.1777 11.10800 3415.259       220.6620 3493.447       317.2488 3341.982       307.1238 340.8645 15.91359 333.4631 15.74868 7.401398       22.38890 
1 1 1 -23 19 19 o 308.0475 11.14368 2820.343       200.9928 2741.897       273.6236 2912.274       296.2118 301.8450 15.50877 310.6844 16.31386 -8.839417      22.50920 
1 1 1 -23 19 20 o 230.3253 12.85152 1587.674       172.9104 1786.043       231.3514 1336.637       260.2573 242.8570 16.33825 207.3839 21.72001 35.47313       27.17899 
1 1 1 -23 19 21 o 170.8452 14.07906 881.0807       139.8166 953.9623       174.3280 749.6660       234.0885 176.6786 17.03510 151.6790 27.31968 24.99956       32.19564 
1 1 1 -23 19 22 o 36.70601 17.76253 -178.7435      117.1513 -211.4743      139.1835 -99.20378      216.9710 39.88316 19.31458 60.11489 27.48883 -20.23174      33.59596 
1 1 1 -23 19 23 o 56.98880 22.85005 60.77674       116.2137 73.42969       142.3946 35.53735       201.1116 62.42150 25.20037 66.81696 28.65915 -4.395462      38.16288 
1 1 1 -23 19 24 o 38.29623 18.17261 -120.3434      109.9983 -176.8840      139.2768 -26.60789      179.3291 41.39322 19.86178 58.41749 25.99601 -17.02427      32.71518 
1 1 1 -23 19 25 o 150.9580 13.82871 696.4504       121.0714 778.3043       155.1452 568.9673       193.6176 158.0727 17.00220 129.6846 26.35650 28.38808       31.36463 
1 1 1 -23 19 26 o 204.2826 10.81798 1254.901       129.1448 0.000000       0.000000 1254.901       129.1448 ?        ?        204.2826 10.81798 0.000000       10.81798 
1 1 1 -23 19 27 o 51.46780 21.86578 23.20477       115.0898 156.7316       466.3705 14.54576       118.7628 92.23454 41.41907 51.19137 21.99131 41.04317       46.89517 
1 1 1 -23 19 28 o 197.1158 10.94635 1172.938       126.0469 379.6764       554.9830 1216.083       129.4293 103.5994 45.93782 200.6692 11.04023 -97.06979      47.24585 
1 1 1 -23 19 29 o 119.3965 18.24480 459.1389       123.7075 384.7754       471.2144 464.6436       128.2044 100.4000 43.47097 119.7588 18.87791 -19.35879      47.39305 
1 1 1 -23 19 30 o 81.81559 23.51359 232.2742       118.8044 268.3057       492.0775 230.0439       122.4261 93.33308 42.17210 81.27795 24.01680 12.05513       48.53136 
1 1 1 -23 19 31 o 153.6463 13.55390 732.2117       120.8831 0.000000       0.000000 732.2117       120.8831 ?        ?        153.6463 13.55390 0.000000       13.55390 
1 1 1 -23 19 32 o 60.00735 23.40173 98.58938       118.8226 831.8010       442.6360 41.64976       123.3501 123.2845 45.84985 53.67530 22.71298 69.60920       51.16726 
1 1 1 -23 19 33 o 170.2132 13.80513 905.6219       136.6292 978.2577       459.4117 898.5741       143.1043 129.9568 46.97267 168.9471 14.58549 -38.99022      49.18504 
1 1 1 -23 19 34 o 55.45753 23.09160 61.75581       124.3488 205.5462       447.5156 49.72504       129.4464 84.09341 38.82655 54.80375 23.23241 29.28966       45.24650 
1 1 1 -23 19 35 o 95.38229 22.87533 325.6812       126.3120 139.1959       471.4978 340.0996       131.1041 81.17178 38.24870 97.20281 23.30091 -16.03104      44.78722 
1 1 1 -23 19 36 o 133.7902 17.36339 589.7009       133.0309 564.1178       486.9641 591.7641       138.2912 96.67953 42.94118 133.3748 18.14998 -36.69531      46.61938 
1 1 1 -23 19 37 o 39.00658 18.98100 -185.3277      138.7504 -678.0122      461.3540 -136.3339      145.4857 59.61516 29.93990 42.65531 20.42275 16.95985       36.24205 
1 1 1 -23 19 38 o 45.86889 21.32929 -62.30407      138.7102 -137.4609      452.9883 -54.52781      145.7096 69.87672 34.06810 47.50963 22.01246 22.36709       40.56086 
1 1 1 -23 20 1  o 175.4053 14.30548 919.1257       145.8851 869.7070       164.2860 1103.403       317.2423 170.0234 16.69046 187.0551 29.92653 -17.03163      34.26615 
1 1 1 -23 20 2  o 127.1324 18.46941 493.0878       133.6826 451.1428       145.4265 721.7764       339.5672 120.7439 21.31566 147.6281 38.74049 -26.88425      44.21745 
1 1 1 -23 20 3  o 310.2547 35.96846 3075.106       642.3592 0.000000       0.000000 3075.106       642.3592 ?        ?        310.2547 35.96846 0.000000       35.96846 
1 1 1 -23 20 4  f 138.1243 16.23376 575.9346       128.9966 497.2167       143.3116 911.9658       296.0971 127.2777 19.84611 169.1801 30.98389 -41.90237      36.79497 
1 1 1 -23 20 5  o 246.2171 12.06849 1798.112       173.7387 1841.145       207.8501 1698.320       316.5186 248.5831 14.31757 235.6910 23.19880 12.89207       27.26127 
1 1 1 -23 20 6  o 249.2326 11.76701 1841.689       171.5115 1806.772       203.3047 1927.883       319.4218 246.2560 14.13640 251.7137 21.85386 -5.457718      26.02747 
1 1 1 -23 20 7  o 221.1454 13.11627 1455.327       169.3494 1514.256       191.3085 1241.932       364.0514 225.2163 14.56191 196.8805 32.67382 28.33575       35.77188 
1 1 1 -23 20 8  o 55.39883 23.28792 19.08652       128.2998 31.63121       140.4561 -44.11911      315.2742 58.98857 24.55012 78.85670 34.81123 -19.86813      42.59730 
1 1 1 -23 20 9  o 244.1585 12.45085 1771.616       177.6991 1796.828       217.0391 1720.350       309.4935 245.1116 15.17252 237.0579 22.53168 8.053741       27.16398 
1 1 1 -23 20 10 o 118.3596 37.27885 456.1907       288.8637 0.000000       0.000000 456.1907       288.8637 ?        ?        118.3596 37.27885 0.000000       37.27885 
1 1 1 -23 20 11 o 132.1320 17.74092 532.6083       134.0077 548.1682       156.3347 489.5034       260.2046 133.1953 20.68385 121.9236 34.72123 11.27167       40.41516 
1 1 1 -23 20 12 o 126.5334 18.35014 490.8074       132.2055 450.7982       153.2430 607.2568       261.4383 119.8776 22.62602 135.7703 33.13040 -15.89270      40.11933 
1 1 1 -23 20 13 o 163.3791 14.17020 800.9397       134.4347 900.5854       156.0670 514.3702       264.6651 172.9266 15.55463 124.4528 34.87263 48.47375       38.18438 
1 1 1 -23 20 14 o 197.1284 13.75809 1162.660       158.0604 1124.796       182.5946 1275.844       315.6953 193.1115 16.27368 200.8996 27.51633 -7.788071      31.96844 
1 1 1 -23 20 15 o 277.9188 10.98937 2291.768       178.7657 2431.776       240.5142 2118.950       267.2143 285.1008 14.43133 264.9280 17.29264 20.17279       22.52330 
1 1 1 -23 20 16 o 323.1090 10.84384 3096.767       205.1951 3018.329       285.2685 3180.861       295.3746 317.1591 15.38237 325.5406 15.51562 -8.381500      21.84838 
1 1 1 -23 20 17 o 337.2519 15.85540 3421.307       312.7263 0.000000       0.000000 3421.307       312.7263 ?        ?        337.2519 15.85540 0.000000       15.85540 
1 1 1 -23 20 18 o 253.9639 18.74393 1967.871       277.2118 0.000000       0.000000 1967.871       277.2118 ?        ?        253.9639 18.74393 0.000000       18.74393 
1 1 1 -23 20 19 o 267.4358 11.42187 2130.811       178.7336 2196.009       235.8996 2042.942       273.8623 270.0015 14.95583 258.7691 18.16083 11.23242       23.52642 
1 1 1 -23 20 20 o 143.6673 16.75353 632.9103       138.5148 650.6082       173.2476 601.5522       230.6120 143.8977 21.16013 134.0194 30.08031 9.878326       36.77738 
1 1 1 -23 20 21 o 124.3893 18.44722 482.9782       130.5034 560.7303       165.5405 355.3135       212.1211 132.6112 22.05964 102.3260 31.90457 30.28524       38.78827 
1 1 1 -23 20 22 o 86.77757 22.11846 245.5019       112.8843 162.8340       136.3427 425.6841       201.2886 73.41181 25.68593 111.1600 30.12899 -37.74818      39.59195 
1 1 1 -23 20 23 o 136.6248 15.32397 574.8159       120.6731 505.3069       151.2988 696.3368       200.0510 125.2551 21.36199 145.7648 24.25301 -20.50979      32.31939 
1 1 1 -23 20 24 o 245.5572 9.409046 1798.941       135.2522 1684.929       528.9979 1806.915       139.9022 202.7894 45.59041 245.9617 9.717669 -43.17232      46.61457 
1 1 1 -23 20 25 f 77.90372 23.08473 201.3655       112.9781 508.0885       479.9975 183.3765       116.2440 112.4572 45.94618 74.77576 23.66101 37.68143       51.68071 
1 1 1 -23 20 26 o 121.5540 18.11996 470.5290       125.2337 515.1927       503.2972 467.5811       129.3004 111.3922 46.42503 120.7767 18.87140 -9.384560      50.11400 
1 1 1 -23 20 27 o 108.2160 21.76719 389.0949       133.3563 0.000000       0.000000 389.0949       133.3563 ?        ?        108.2160 21.76719 0.000000       21.76719 
1 1 1 -23 20 28 o 38.58575 18.36870 -122.9167      114.1918 -1164.921      500.8620 -65.78391      117.2806 59.56510 30.07655 43.27385 19.94274 16.29126       36.08756 
1 1 1 -23 20 29 o 94.79966 22.72930 308.6939       124.7315 297.2004       476.7060 309.5386       129.2338 94.51834 42.20158 94.53644 23.42868 -0.1809692E-01 48.26880 
1 1 1 -23 20 30 o 240.5261 9.925472 1745.058       139.7107 2884.747       512.0201 1653.378       145.2214 276.4166 32.18575 233.6376 10.62614 42.77898       33.89450 
1 1 1 -23 20 31 o 134.3408 15.91329 574.2401       122.9452 0.000000       0.000000 574.2401       122.9452 ?        ?        134.3408 15.91329 0.000000       15.91329 
1 1 1 -23 20 32 o 97.70509 22.89696 335.4282       128.8996 -2.838360      440.0071 367.1831       134.8142 77.66689 36.70388 102.2552 23.03494 -24.58827      43.33340 
1 1 1 -23 20 33 o 107.2923 21.59850 398.1808       131.1988 598.3198       423.1278 376.8921       138.0003 104.4955 42.96557 102.9562 23.38888 1.539299       48.91912 
1 1 1 -23 20 34 o 68.33682 24.53568 161.3053       125.0975 31.45067       419.6589 173.9695       131.0557 75.82961 35.83848 70.33118 25.12943 5.498428       43.77082 
1 1 1 -23 20 35 o 53.70058 23.05434 41.62315       130.3636 -77.90758      486.9909 50.84978       135.3015 74.72720 36.17441 55.26525 23.60092 19.46195       43.19249 
1 1 1 -23 20 36 o 114.4536 21.49279 460.1794       138.9724 -367.3948      465.7912 541.0464       145.6041 65.82756 32.57065 125.1555 20.54944 -59.32791      38.51138 
1 1 1 -23 20 37 o 74.73976 27.19697 212.9530       154.3553 197.8690       453.0190 214.9341       164.1793 80.12487 37.67339 74.94478 27.91376 5.180092       46.88776 
1 1 1 -23 20 38 o 111.1924 23.49213 454.3368       148.3896 272.3135       449.1201 476.6423       157.2189 81.50060 38.05854 113.0164 24.43296 -31.51582      45.22635 
1 1 1 -23 21 1  o 439.2820 13.37337 5731.697       344.1350 5580.477       434.4251 5986.459       563.8681 431.6492 17.19505 444.3703 21.70188 -12.72107      27.68829 
1 1 1 -23 21 2  o 164.0406 14.38391 805.9548       136.9828 745.7432       152.9203 1050.490       308.1733 157.1241 16.85808 181.8956 29.92829 -24.77150      34.34963 
1 1 1 -23 21 3  o 178.1529 13.81731 948.2020       143.2389 812.8469       156.4717 1648.435       355.8931 164.2064 16.46994 230.1865 26.86731 -65.98010      31.51367 
1 1 1 -23 21 4  o 388.6036 13.79130 4491.733       313.8149 4231.489       348.0876 5621.494       725.2556 376.3290 15.80660 424.6197 29.30299 -48.29071      33.29435 
1 1 1 -23 21 5  o 198.9255 12.92330 1178.701       149.9537 1102.601       172.5571 1413.436       303.0615 191.7166 15.47845 213.8361 24.61416 -22.11952      29.07644 
1 1 1 -23 21 6  o 107.7767 19.26568 359.3174       117.3055 371.2965       129.4910 304.5055       276.9909 109.1353 20.99343 102.1096 36.52756 7.025696       42.13059 
1 1 1 -23 21 7  f 53.97149 22.32128 29.52113       115.0908 -19.78170      126.6775 262.6506       275.4622 51.04630 22.31432 97.81463 36.20859 -46.76833      42.53223 
1 1 1 -23 21 8  o 329.2432 11.58217 3214.133       223.2957 3283.786       292.3849 3116.653       345.8914 331.5366 15.07687 321.5120 18.42102 10.02460       23.80432 
1 1 1 -23 21 9  o 190.2240 12.97692 1079.417       143.9060 941.7990       163.9416 1541.475       300.3991 176.8307 15.98044 223.6903 23.23635 -46.85954      28.20111 
1 1 1 -23 21 10 o 237.0185 12.29572 1671.053       170.3333 1699.780       205.7968 1608.569       303.5138 238.3012 14.79824 228.5646 22.95256 9.736664       27.30949 
1 1 1 -23 21 11 o 193.5645 12.96828 1118.242       146.3679 1007.111       169.1583 1449.327       291.9746 182.8230 15.93564 216.5510 23.35889 -33.72800      28.27689 
1 1 1 -23 21 12 o 232.7092 22.45313 1667.028       302.6362 0.000000       0.000000 1667.028       302.6362 ?        ?        232.7092 22.45313 0.000000       22.45313 
1 1 1 -23 21 13 o 379.1151 11.21417 4263.181       249.0640 4266.491       347.9109 4259.702       356.7134 377.1791 15.76261 376.6512 16.18618 0.5279236      22.59319 
1 1 1 -23 21 14 o 295.2958 12.21319 2594.709       211.0564 2653.289       259.9686 2481.447       361.4838 297.5493 14.94528 284.2757 21.84947 13.27365       26.47188 
1 1 1 -23 21 15 o 205.0271 12.81738 1255.949       153.3497 1307.673       189.1551 1156.765       261.9347 208.3087 15.59641 192.4804 23.70373 15.82826       28.37454 
1 1 1 -23 21 16 o 196.3094 13.57118 1155.606       155.2845 1045.286       192.6782 1360.052       262.2978 185.1100 17.97411 209.6478 21.64388 -24.53783      28.13407 
1 1 1 -23 21 17 o 366.6890 15.54415 4049.048       333.5255 0.000000       0.000000 4049.048       333.5255 ?        ?        366.6890 15.54415 0.000000       15.54415 
1 1 1 -23 21 18 o 74.03381 24.54016 166.8205       124.1877 142.2505       148.5852 223.7602       226.1941 72.46399 26.63355 88.38665 32.79399 -15.92266      42.24680 
1 1 1 -23 21 19 o 76.90239 24.41935 186.0047       123.7201 163.9256       148.9098 235.2159       222.3130 75.13013 26.79289 88.85153 32.59105 -13.72140      42.19047 
1 1 1 -23 21 20 o 286.1426 15.80460 2490.144       264.1961 0.000000       0.000000 2490.144       264.1961 ?        ?        286.1426 15.80460 0.000000       15.80460 
1 1 1 -23 21 21 o 62.82677 23.06695 107.3977       111.4068 37.13496       132.5562 276.4135       205.5896 56.80444 23.76106 91.56615 31.56939 -34.76171      39.51221 
1 1 1 -23 21 22 o 53.32300 24.87778 -133.3411      191.1979 0.000000       0.000000 -133.3411      191.1979 ?        ?        53.32300 24.87778 0.000000       24.87778 
1 1 1 -23 21 23 o 71.53954 22.59808 164.9408       106.0757 0.000000       0.000000 164.9408       106.0757 ?        ?        71.53954 22.59808 0.000000       22.59808 
1 1 1 -23 21 24 o 92.83404 21.74175 285.3783       116.2803 0.000000       0.000000 285.3783       116.2803 ?        ?        92.83404 21.74175 0.000000       21.74175 
1 1 1 -23 21 25 o 209.7472 10.87717 1324.934       133.3449 1015.331       529.3777 1345.909       137.7877 143.1706 50.57088 211.2591 11.16061 -68.08847      51.78777 
1 1 1 -23 21 26 o 98.29332 20.78302 319.2466       116.0562 885.5882       517.2445 289.2234       119.0927 132.7075 49.52261 92.80171 22.18342 39.90576       54.26410 
1 1 1 -23 21 27 o 78.00767 24.09477 207.2881       121.3030 362.9570       521.0256 198.3667       124.7305 100.6622 44.57925 76.51099 24.54338 24.15120       50.88897 
1 1 1 -23 21 28 o 103.0982 21.20509 357.0181       123.9334 -160.5507      454.6810 398.5574       128.8108 76.34431 36.42993 109.2947 20.85637 -32.95037      41.97771 
1 1 1 -23 21 29 o 143.7382 15.58007 651.7769       129.2409 625.1153       465.6324 654.0023       134.5267 110.6778 45.24037 143.5419 16.26650 -32.86408      48.07587 
1 1 1 -23 21 30 o 112.4250 19.60039 419.5799       124.5384 587.5967       451.0122 405.7114       129.5763 107.0729 44.22559 109.6552 20.91161 -2.582275      48.92032 
1 1 1 -23 21 31 o 56.72460 23.16881 71.36037       122.0079 0.000000       0.000000 71.36037       122.0079 ?        ?        56.72460 23.16881 0.000000       23.16881 
1 1 1 -23 21 32 o 111.0291 21.44847 424.2840       134.6079 747.1445       438.8909 390.7608       141.4237 113.8229 44.80114 104.8246 23.57730 8.998253       50.62639 
1 1 1 -23 21 33 o 102.8768 22.80955 375.6397       134.0092 157.9454       418.1947 400.5521       141.4694 80.73371 37.36615 105.8421 23.41192 -25.10838      44.09475 
1 1 1 -23 21 34 o 53.55909 22.97432 41.12823       129.2577 -798.9562      457.7451 113.9191       134.7413 58.32762 29.36333 62.28699 24.72665 -3.959373      38.38766 
1 1 1 -23 21 35 o 55.72265 23.70320 57.65454       135.5381 -229.4823      445.7020 86.91392       142.2764 68.11966 33.33616 59.48633 24.72896 8.633331       41.50688 
1 1 1 -23 21 36 o 92.01494 25.74673 324.9786       144.3772 190.2814       437.8811 341.4081       152.9291 79.70111 37.33540 93.58330 26.60784 -13.88219      45.84658 
1 1 1 -23 21 37 o 71.84463 26.12708 193.0226       142.4188 115.2091       423.8762 202.9249       151.2094 75.92005 35.92208 73.15380 26.87097 2.766251       44.86028 
1 1 1 -23 22 1  o 199.3018 13.47379 1185.315       156.5637 1247.083       172.1454 889.7021       376.5942 204.1847 14.46918 162.1375 39.88350 42.04726       42.42701 
1 1 1 -23 22 2  o 268.5134 11.58035 2138.803       181.9349 1917.443       212.0858 2755.559       354.0122 253.4301 14.32767 301.4954 20.13649 -48.06532      24.71357 
1 1 1 -23 22 3  o 227.8371 11.89984 1542.117       158.4558 1363.769       181.3452 2117.856       325.8252 213.5192 14.56894 263.6229 21.25422 -50.10364      25.76812 
1 1 1 -23 22 4  o 318.0667 19.21231 3058.153       356.7128 0.000000       0.000000 3058.153       356.7128 ?        ?        318.0667 19.21231 0.000000       19.21231 
1 1 1 -23 22 5  o 169.3629 14.06368 859.2377       138.4316 809.4821       154.8990 1056.631       308.5268 163.7426 16.34838 181.8545 29.97118 -18.11189      34.14002 
1 1 1 -23 22 6  o 209.1572 12.45907 1302.489       152.1376 1283.160       175.1407 1361.914       307.0941 207.0373 14.51606 209.0206 25.58414 -1.983353      29.41537 
1 1 1 -23 22 7  o 392.9337 11.56087 4578.496       266.1263 4561.491       363.3188 4598.183       390.9130 390.2704 15.90680 391.2185 17.07882 -0.9480896     23.33907 
1 1 1 -23 22 8  o 271.5192 11.73175 2189.405       186.3751 2351.221       233.6077 1906.054       309.1281 280.5659 14.24377 249.6749 21.31486 30.89105       25.63607 
1 1 1 -23 22 9  o 113.9934 19.71061 403.1616       127.0080 437.7458       142.3795 268.4374       281.0163 118.4063 21.28566 98.19827 36.53019 20.20802       42.27924 
1 1 1 -23 22 10 o 74.25228 23.24613 168.7184       112.4903 166.3718       124.0158 179.6118       267.2035 74.57027 24.51483 88.87903 34.96484 -14.30876      42.70265 
1 1 1 -23 22 11 o 63.30199 24.25973 89.57583       126.0642 93.02419       142.3662 77.05231       271.3085 66.03958 25.65460 80.82544 33.91365 -14.78586      42.52404 
1 1 1 -23 22 12 f 131.8300 19.76914 537.3925       148.1384 584.0193       169.8884 389.4648       302.6010 136.7790 21.91837 110.5420 38.29131 26.23700       44.12073 
1 1 1 -23 22 13 o 123.3737 21.38175 476.6249       149.1060 521.5179       174.5785 355.5722       286.6744 128.1844 24.10691 106.3001 37.24170 21.88428       44.36312 
1 1 1 -23 22 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 22 15 o 227.7802 12.18700 1548.766       162.2107 1432.512       200.2472 1770.640       276.6410 217.7338 15.78885 240.2305 19.81125 -22.49672      25.33325 
1 1 1 -23 22 16 o 155.0481 16.10514 731.9131       144.3163 813.1047       179.4463 583.2383       242.8272 162.2897 19.22660 131.6126 31.81440 30.67702       37.17282 
1 1 1 -23 22 17 o 186.5354 13.65713 1047.836       148.3716 788.5302       182.3850 1555.243       255.1297 159.2387 19.96726 224.5719 19.56628 -65.33324      27.95588 
1 1 1 -23 22 18 o 207.1976 11.83809 1285.687       143.2537 1221.699       179.7209 1397.176       237.2295 200.5189 15.40032 212.4973 19.24394 -11.97836      24.64750 
1 1 1 -23 22 19 o 98.59180 20.51098 311.7968       114.7310 302.8719       136.8141 332.9457       210.6077 95.87474 24.30343 99.01270 31.90465 -3.137962      40.10690 
1 1 1 -23 22 20 o 82.60021 30.97893 201.7952       202.9250 0.000000       0.000000 201.7952       202.9250 ?        ?        82.60021 30.97893 0.000000       30.97893 
1 1 1 -23 22 21 o 176.1518 11.68775 934.9714       120.0619 0.000000       0.000000 934.9714       120.0619 ?        ?        176.1518 11.68775 0.000000       11.68775 
1 1 1 -23 22 22 o 149.7843 14.58875 689.2067       126.5328 0.000000       0.000000 689.2067       126.5328 ?        ?        149.7843 14.58875 0.000000       14.58875 
1 1 1 -23 22 23 o 112.2634 19.04174 404.3005       120.8952 0.000000       0.000000 404.3005       120.8952 ?        ?        112.2634 19.04174 0.000000       19.04174 
1 1 1 -23 22 24 o 158.0286 15.08392 772.7556       138.1037 0.000000       0.000000 772.7556       138.1037 ?        ?        158.0286 15.08392 0.000000       15.08392 
1 1 1 -23 22 25 o 164.4844 12.93057 826.9049       123.7341 0.000000       0.000000 826.9049       123.7341 ?        ?        164.4844 12.93057 0.000000       12.93057 
1 1 1 -23 22 26 f 223.3304 10.55853 1504.164       137.9019 0.000000       0.000000 1504.164       137.9019 ?        ?        223.3304 10.55853 0.000000       10.55853 
1 1 1 -23 22 27 o 121.8905 18.51243 481.6470       128.1820 415.3665       502.8673 486.2529       132.5609 100.6795 44.22221 122.0948 19.14129 -21.41536      48.18707 
1 1 1 -23 22 28 f 95.68216 22.90460 316.5099       126.8199 950.6542       501.7559 273.2338       131.0758 130.2642 48.74229 87.98511 24.50015 42.27910       54.55336 
1 1 1 -23 22 29 o 57.22906 23.08321 75.58381       119.3545 -183.4436      453.5949 94.85233       123.7142 74.08462 35.62470 60.17727 23.75512 13.90735       42.81851 
1 1 1 -23 22 30 o 75.38167 24.89204 200.5462       127.8109 854.5965       494.2980 153.6840       132.3105 119.7867 47.42138 68.44817 25.13684 51.33858       53.67167 
1 1 1 -23 22 31 o 68.12218 24.36079 156.7744       123.1878 261.3376       458.2365 148.6290       127.8960 87.47321 39.97985 67.12027 24.70298 20.35294       46.99602 
1 1 1 -23 22 32 o 55.62838 23.54750 54.52685       132.6561 103.5274       441.7072 49.66906       139.0763 79.69176 37.38443 55.94318 23.91015 23.74858       44.37669 
1 1 1 -23 22 33 o 53.08354 23.19571 25.10098       136.7645 -388.8122      501.2752 58.38976       142.1577 68.53448 33.88792 56.96138 24.25418 11.57309       41.67321 
1 1 1 -23 22 34 o 60.59437 24.61683 100.5463       136.8515 -46.20430      472.2693 113.9983       142.9863 74.39048 35.91667 62.63517 25.26474 11.75531       43.91257 
1 1 1 -23 22 35 o 139.8740 18.51712 656.6206       148.1732 -121.4362      449.4290 751.5068       156.9485 70.61466 34.31599 150.0270 18.21003 -79.41233      38.84832 
1 1 1 -23 22 36 o 97.17627 24.88139 356.5760       142.3996 43.28523       409.8863 399.5790       151.8585 73.34354 34.88272 102.6085 25.37788 -29.26492      43.13746 
1 1 1 -23 23 1  o 161.5163 14.87541 784.4031       139.3262 720.6495       154.8638 1055.148       319.1373 154.0338 17.44989 180.9196 31.20439 -26.88579      35.75210 
1 1 1 -23 23 2  o 327.6548 11.49610 3184.568       220.5688 3194.352       280.2858 3168.653       357.4706 326.9958 14.65254 323.7029 18.91206 3.292877       23.92411 
1 1 1 -23 23 3  o 148.7915 53.54219 779.8511       596.1036 0.000000       0.000000 779.8511       596.1036 ?        ?        148.7915 53.54219 0.000000       53.54219 
1 1 1 -23 23 4  o 182.7301 29.73590 1068.843       307.7234 0.000000       0.000000 1068.843       307.7234 ?        ?        182.7301 29.73590 0.000000       29.73590 
1 1 1 -23 23 5  o 227.4366 13.55653 1544.506       180.0049 1612.856       189.7844 932.1041       568.0802 232.2960 13.99546 159.4468 52.47060 72.84914       54.30504 
1 1 1 -23 23 6  o 140.6746 15.68318 598.7860       127.1920 549.2749       143.0717 785.4193       277.7776 133.7724 18.75049 155.1447 31.60328 -21.37233      36.74708 
1 1 1 -23 23 7  o 105.4919 20.09126 347.4273       119.7635 378.9148       132.2446 203.8387       282.4028 109.9311 21.28115 92.30713 36.05439 17.62395       41.86653 
1 1 1 -23 23 8  o 55.42351 22.43125 45.61370       113.1368 35.74907       124.8636 90.85426       267.3990 56.37037 23.27540 81.45706 33.88520 -25.08670      41.10901 
1 1 1 -23 23 9  o 151.4988 15.35417 693.3483       134.5408 729.1616       153.2509 572.9556       280.9832 154.8500 17.16273 130.4276 35.69927 24.42236       39.61057 
1 1 1 -23 23 10 o 331.0198 11.26574 3253.337       218.3892 3281.361       291.7469 3217.620       329.3604 330.8372 15.07593 326.4957 17.26193 4.341522       22.91851 
1 1 1 -23 23 11 o 83.78844 25.07537 221.7884       132.7872 258.7086       149.8266 86.60286       286.6962 89.99735 26.56249 82.80916 34.81127 7.188194       43.78802 
1 1 1 -23 23 12 o 290.4789 12.27022 2514.920       208.5635 2609.041       264.3766 2359.818       339.3828 294.5384 15.35796 277.0576 21.04408 17.48077       26.05226 
1 1 1 -23 23 13 o 194.3572 14.97631 1139.363       169.3932 1369.271       205.5612 652.9086       299.0099 212.5055 16.62606 137.5825 36.47181 74.92296       40.08265 
1 1 1 -23 23 14 f 153.9743 31.74988 791.9597       277.1808 0.000000       0.000000 791.9597       277.1808 ?        ?        153.9743 31.74988 0.000000       31.74988 
1 1 1 -23 23 15 o 122.2403 18.76423 465.0442       130.2316 575.4313       153.9763 187.6182       244.1003 135.7730 19.92995 85.97744 33.53810 49.79556       39.01291 
1 1 1 -23 23 16 o 108.8651 44.93956 324.3811       465.3252 0.000000       0.000000 324.3811       465.3252 ?        ?        108.8651 44.93956 0.000000       44.93956 
1 1 1 -23 23 17 o 132.1765 16.38847 538.3304       124.3212 414.4147       145.5795 872.1280       238.9343 113.2384 22.71175 163.7166 25.73291 -50.47821      34.32210 
1 1 1 -23 23 18 o 96.92825 32.30251 318.2276       215.1106 0.000000       0.000000 318.2276       215.1106 ?        ?        96.92825 32.30251 0.000000       32.30251 
1 1 1 -23 23 19 o 178.2036 11.08829 953.3494       115.3120 0.000000       0.000000 953.3494       115.3120 ?        ?        178.2036 11.08829 0.000000       11.08829 
1 1 1 -23 23 20 o 186.2473 11.77447 1045.791       127.9538 0.000000       0.000000 1045.791       127.9538 ?        ?        186.2473 11.77447 0.000000       11.77447 
1 1 1 -23 23 21 o 135.0291 15.56904 565.1259       121.0387 0.000000       0.000000 565.1259       121.0387 ?        ?        135.0291 15.56904 0.000000       15.56904 
1 1 1 -23 23 22 o 60.53521 23.22484 93.63041       115.6239 0.000000       0.000000 93.63041       115.6239 ?        ?        60.53521 23.22484 0.000000       23.22484 
1 1 1 -23 23 23 o 152.5346 13.44685 712.8351       119.0624 0.000000       0.000000 712.8351       119.0624 ?        ?        152.5346 13.44685 0.000000       13.44685 
1 1 1 -23 23 24 o 79.89002 22.85581 215.3438       112.4964 0.000000       0.000000 215.3438       112.4964 ?        ?        79.89002 22.85581 0.000000       22.85581 
1 1 1 -23 23 25 o 215.1446 11.27584 1401.831       141.7787 0.000000       0.000000 1401.831       141.7787 ?        ?        215.1446 11.27584 0.000000       11.27584 
1 1 1 -23 23 26 o 84.05827 24.49702 247.0099       128.1266 0.000000       0.000000 247.0099       128.1266 ?        ?        84.05827 24.49702 0.000000       24.49702 
1 1 1 -23 23 27 o 116.8771 19.11109 447.9821       126.4751 0.000000       0.000000 447.9821       126.4751 ?        ?        116.8771 19.11109 0.000000       19.11109 
1 1 1 -23 23 28 o 53.53025 22.30285 48.62481       116.1026 -304.2822      519.7071 67.16273       119.1130 74.81104 36.47756 56.16789 22.91089 18.64314       43.07576 
1 1 1 -23 23 29 o 97.41138 23.26743 333.7789       131.0953 -149.7597      511.8286 367.7278       135.6193 77.33056 37.34959 102.4904 23.11527 -25.15986      43.92388 
1 1 1 -23 23 30 o 98.93199 22.97813 345.4864       130.7639 316.6971       471.1942 347.8886       136.1101 90.14357 40.94439 98.68456 23.79621 -8.540993      47.35719 
1 1 1 -23 23 31 o 58.28343 25.64916 33.57100       169.9108 257.7870       469.8793 -0.1573878     182.2430 86.36860 39.84410 57.20443 25.77263 29.16417       47.45293 
1 1 1 -23 23 32 o 54.62052 23.52098 41.32358       136.4826 657.8582       523.9497 -3.556006      141.3629 101.7014 44.88714 51.27742 22.93193 50.42400       50.40564 
1 1 1 -23 23 33 o 59.02620 24.62428 81.46695       141.7960 -144.8815      497.9467 101.4410       147.9201 73.10355 35.65836 61.71812 25.39311 11.38544       43.77590 
1 1 1 -23 23 34 o 81.47259 26.39879 256.4037       144.0646 150.7749       451.1153 268.3998       152.0252 78.97920 37.27573 82.78656 27.13844 -3.807358      46.10830 
1 1 1 -23 23 35 o 54.76120 23.85645 40.31660       143.7287 -138.4611      464.8553 59.21406       151.1342 70.57439 34.43093 57.33473 24.72106 13.23965       42.38655 
1 1 1 -23 24 1  o 173.1705 33.20891 984.6899       325.0038 0.000000       0.000000 984.6899       325.0038 ?        ?        173.1705 33.20891 0.000000       33.20891 
1 1 1 -23 24 2  o 211.8718 13.70034 1342.452       169.3247 1400.689       187.4268 1083.902       394.9158 216.0638 14.88196 178.5921 38.81509 37.47173       41.57022 
1 1 1 -23 24 3  o 343.7353 11.24617 3505.581       226.4092 3116.318       280.3860 4235.025       383.8227 322.6593 14.85693 374.8004 17.50984 -52.14117      22.96351 
1 1 1 -23 24 4  o 270.7663 13.65631 2189.581       216.1593 2146.692       229.4129 2528.921       645.3071 267.7229 14.66709 272.2330 41.74788 -4.510132      44.24939 
1 1 1 -23 24 5  o 280.7126 11.39331 2340.594       187.1798 1971.306       220.0839 3306.108       355.8645 256.4757 14.69307 330.4388 18.43607 -73.96304      23.57488 
1 1 1 -23 24 6  o 113.1196 19.47476 397.7173       124.5388 328.6438       139.4499 669.8795       276.8065 101.4286 23.84679 141.5978 33.80214 -40.16925      41.36731 
1 1 1 -23 24 7  o 90.99917 24.19708 264.7755       131.3581 300.8911       147.9761 130.5281       285.2968 96.69603 25.66840 86.07696 35.32423 10.61907       43.66541 
1 1 1 -23 24 8  o 217.9090 12.61510 1417.736       160.5299 1409.478       187.8524 1440.094       309.0895 216.5185 14.88406 214.1747 25.08194 2.343719       29.16571 
1 1 1 -23 24 9  o 301.6563 11.51968 2706.491       203.4252 2629.879       257.8572 2832.757       331.0344 295.9495 14.90429 305.2308 18.58046 -9.281281      23.81956 
1 1 1 -23 24 10 o 83.43299 24.69719 221.1559       129.3675 182.2939       145.9706 363.4276       279.2944 78.10140 26.61102 106.2284 36.78766 -28.12704      45.40350 
1 1 1 -23 24 11 o 211.5495 13.49201 1342.504       166.5213 1502.921       199.9041 978.8551       300.9799 223.1503 15.36860 172.3572 30.91102 50.79314       34.52079 
1 1 1 -23 24 12 o 51.69462 22.46823 -8.343267      126.8673 -12.83243      143.6929 7.528711       270.1891 54.50108 23.79634 74.70898 32.62492 -20.20790      40.38132 
1 1 1 -23 24 13 o 85.63415 25.27254 236.3763       135.6327 343.8320       158.5497 -56.83652      261.9041 102.3391 26.28130 69.36835 31.10361 32.97078       40.72028 
1 1 1 -23 24 14 o 134.7549 18.38497 563.8714       141.5123 766.7442       171.6266 133.0449       250.1059 157.1871 19.00257 81.17198 33.16522 76.01509       38.22342 
1 1 1 -23 24 15 o 62.05447 23.22920 98.55169       113.9834 233.8405       130.7756 -329.1087      232.5120 84.70368 24.76700 51.45427 24.92912 33.24942       35.14065 
1 1 1 -23 24 16 o 262.3996 10.16097 2052.548       156.0728 0.000000       0.000000 2052.548       156.0728 ?        ?        262.3996 10.16097 0.000000       10.16097 
1 1 1 -23 24 17 o 78.48952 23.58422 200.6555       117.2873 0.000000       0.000000 200.6555       117.2873 ?        ?        78.48952 23.58422 0.000000       23.58422 
1 1 1 -23 24 18 o 73.25901 25.76421 164.8069       137.2915 0.000000       0.000000 164.8069       137.2915 ?        ?        73.25901 25.76421 0.000000       25.76421 
1 1 1 -23 24 19 f 59.07377 22.98202 82.25111       114.3788 0.000000       0.000000 82.25111       114.3788 ?        ?        59.07377 22.98202 0.000000       22.98202 
1 1 1 -23 24 20 o 86.28152 21.58116 246.3091       108.9176 0.000000       0.000000 246.3091       108.9176 ?        ?        86.28152 21.58116 0.000000       21.58116 
1 1 1 -23 24 21 o 111.7045 19.34021 402.1716       122.1154 0.000000       0.000000 402.1716       122.1154 ?        ?        111.7045 19.34021 0.000000       19.34021 
1 1 1 -23 24 22 o 149.9441 14.23395 692.8209       123.6723 0.000000       0.000000 692.8209       123.6723 ?        ?        149.9441 14.23395 0.000000       14.23395 
1 1 1 -23 24 23 o 60.31411 23.30772 93.87012       117.0465 0.000000       0.000000 93.87012       117.0465 ?        ?        60.31411 23.30772 0.000000       23.30772 
1 1 1 -23 24 24 o 159.6468 14.50738 790.6803       134.3494 0.000000       0.000000 790.6803       134.3494 ?        ?        159.6468 14.50738 0.000000       14.50738 
1 1 1 -23 24 25 f 92.43742 23.36637 295.8669       126.7188 0.000000       0.000000 295.8669       126.7188 ?        ?        92.43742 23.36637 0.000000       23.36637 
1 1 1 -23 24 26 o 170.2425 14.00238 900.0853       138.5696 0.000000       0.000000 900.0853       138.5696 ?        ?        170.2425 14.00238 0.000000       14.00238 
1 1 1 -23 24 27 o 49.08720 21.57998 0.9120909      119.9915 0.000000       0.000000 0.9120909      119.9915 ?        ?        49.08720 21.57998 0.000000       21.57998 
1 1 1 -23 24 28 o 49.48207 21.99700 -7.727017      128.0633 0.000000       0.000000 -7.727017      128.0633 ?        ?        49.48207 21.99700 0.000000       21.99700 
1 1 1 -23 24 29 o 59.26616 24.21369 83.77274       133.3067 0.000000       0.000000 83.77274       133.3067 ?        ?        59.26616 24.21369 0.000000       24.21369 
1 1 1 -23 24 30 o 67.84125 24.99280 154.9086       130.9680 552.8684       471.2625 121.6004       136.3387 99.58463 43.29308 63.74366 25.00616 35.84097       49.99599 
1 1 1 -23 24 31 o 66.53804 25.38793 145.0193       137.6635 674.5914       525.7747 106.0425       142.6396 102.5711 45.12992 62.14243 25.17361 40.42863       51.67611 
1 1 1 -23 24 32 o 49.86966 22.47359 -13.49102      138.6706 503.7327       501.0269 -56.39887      144.3079 94.12196 42.53880 47.56285 21.99123 46.55911       47.88699 
1 1 1 -23 24 33 o 52.90632 23.47210 15.29249       145.0828 -146.0786      494.9531 30.46111       151.7485 72.18797 35.28506 55.04222 24.23055 17.14575       42.80368 
1 1 1 -23 24 34 o 33.53922 16.84795 -370.0106      146.5208 -441.9589      450.4051 -361.4954      154.9488 63.12698 31.37131 35.23340 17.64596 27.89359       35.99360 
1 1 1 -23 24 35 o 63.34260 25.56100 125.2138       146.4281 -24.28997      448.0418 143.0918       154.9361 72.07471 34.84373 65.81557 26.38554 6.259132       43.70678 
1 1 1 -23 25 1  o 338.4399 19.66545 3491.605       388.6523 0.000000       0.000000 3491.605       388.6523 ?        ?        338.4399 19.66545 0.000000       19.66545 
1 1 1 -23 25 2  o 524.6435 28.22819 8699.721       865.3577 0.000000       0.000000 8699.721       865.3577 ?        ?        524.6435 28.22819 0.000000       28.22819 
1 1 1 -23 25 3  o 379.4619 14.20395 4309.415       315.5445 4363.677       354.6657 4103.355       691.1428 380.8698 15.91292 354.2978 33.66610 26.57202       37.23744 
1 1 1 -23 25 4  f 276.8742 11.86787 2282.579       192.2637 1956.601       224.6277 3175.672       371.8073 255.1010 15.08144 322.5154 19.75172 -67.41440      24.85116 
1 1 1 -23 25 5  o 149.8499 15.77424 681.4110       136.5526 584.9285       151.7141 1093.045       313.3700 137.5367 19.34230 183.2356 30.21270 -45.69891      35.87383 
1 1 1 -23 25 6  o 162.0647 15.52754 795.4684       145.7818 768.1107       164.5637 895.2157       314.2279 158.3586 18.04044 163.2374 33.93120 -4.878845      38.42895 
1 1 1 -23 25 7  o 64.99060 24.43449 104.0233       126.4098 196.8775       141.3065 -268.0227      282.8524 79.92384 26.16217 62.03077 29.34846 17.89308       39.31656 
1 1 1 -23 25 8  o 179.0018 15.19653 968.9648       158.0272 1005.714       182.7556 860.0636       314.6052 181.5591 17.37509 159.0094 34.71208 22.54977       38.81781 
1 1 1 -23 25 9  o 255.2843 12.16840 1946.298       181.6586 2072.245       224.6832 1708.563       308.6898 262.3731 14.65990 233.8824 22.79363 28.49068       27.10096 
1 1 1 -23 25 10 o 137.5901 17.80685 583.7426       140.3229 687.4750       159.7232 232.8509       293.7632 149.1375 18.66914 93.71138 36.72267 55.42615       41.19577 
1 1 1 -23 25 11 o 241.0585 12.25867 1739.438       172.7381 1793.186       209.3368 1624.748       305.7925 243.6794 14.71652 227.0384 23.29563 16.64098       27.55471 
1 1 1 -23 25 12 o 62.03333 23.80183 90.80128       121.4481 114.4246       136.2669 -0.4355960     267.7963 67.06025 25.33498 73.10897 32.18609 -6.048721      40.96103 
1 1 1 -23 25 13 o 209.7531 22.63333 1394.060       274.0214 0.000000       0.000000 1394.060       274.0214 ?        ?        209.7531 22.63333 0.000000       22.63333 
1 1 1 -23 25 14 o 101.9595 18.36397 328.2752       105.7727 0.000000       0.000000 328.2752       105.7727 ?        ?        101.9595 18.36397 0.000000       18.36397 
1 1 1 -23 25 15 o 102.0979 20.11602 334.5974       116.1647 0.000000       0.000000 334.5974       116.1647 ?        ?        102.0979 20.11602 0.000000       20.11602 
1 1 1 -23 25 16 o 156.2341 13.54048 742.8232       122.8445 0.000000       0.000000 742.8232       122.8445 ?        ?        156.2341 13.54048 0.000000       13.54048 
1 1 1 -23 25 17 o 130.9527 15.71168 531.3157       118.2601 0.000000       0.000000 531.3157       118.2601 ?        ?        130.9527 15.71168 0.000000       15.71168 
1 1 1 -23 25 18 o 97.74193 20.99642 312.7487       116.7673 0.000000       0.000000 312.7487       116.7673 ?        ?        97.74193 20.99642 0.000000       20.99642 
1 1 1 -23 25 19 o 46.43060 20.77161 -30.03664      116.0911 0.000000       0.000000 -30.03664      116.0911 ?        ?        46.43060 20.77161 0.000000       20.77161 
1 1 1 -23 25 20 o 112.4762 41.80628 519.2732       367.9057 0.000000       0.000000 519.2732       367.9057 ?        ?        112.4762 41.80628 0.000000       41.80628 
1 1 1 -23 25 21 o 146.9901 14.62972 668.3832       124.4447 0.000000       0.000000 668.3832       124.4447 ?        ?        146.9901 14.62972 0.000000       14.62972 
1 1 1 -23 25 22 o 37.16364 17.97082 -167.7051      119.3650 0.000000       0.000000 -167.7051      119.3650 ?        ?        37.16364 17.97082 0.000000       17.97082 
1 1 1 -23 25 23 o 107.2192 18.86188 374.5416       114.2778 0.000000       0.000000 374.5416       114.2778 ?        ?        107.2192 18.86188 0.000000       18.86188 
1 1 1 -23 25 24 o 209.4743 10.86893 1329.832       133.0700 0.000000       0.000000 1329.832       133.0700 ?        ?        209.4743 10.86893 0.000000       10.86893 
1 1 1 -23 25 25 o 123.6870 17.01887 490.6682       120.1847 0.000000       0.000000 490.6682       120.1847 ?        ?        123.6870 17.01887 0.000000       17.01887 
1 1 1 -23 25 26 o 133.0694 16.76883 567.7118       127.9676 0.000000       0.000000 567.7118       127.9676 ?        ?        133.0694 16.76883 0.000000       16.76883 
1 1 1 -23 25 27 o 145.9884 15.75411 678.0173       132.7512 0.000000       0.000000 678.0173       132.7512 ?        ?        145.9884 15.75411 0.000000       15.75411 
1 1 1 -23 25 28 o 58.46203 24.21359 74.35299       135.7024 0.000000       0.000000 74.35299       135.7024 ?        ?        58.46203 24.21359 0.000000       24.21359 
1 1 1 -23 25 29 o 184.7321 13.70452 1068.921       147.4187 0.000000       0.000000 1068.921       147.4187 ?        ?        184.7321 13.70452 0.000000       13.70452 
1 1 1 -23 25 30 o 99.92216 25.55179 371.5689       150.3092 0.000000       0.000000 371.5689       150.3092 ?        ?        99.92216 25.55179 0.000000       25.55179 
1 1 1 -23 25 31 o 138.6405 20.24563 655.1979       159.7612 0.000000       0.000000 655.1979       159.7612 ?        ?        138.6405 20.24563 0.000000       20.24563 
1 1 1 -23 25 32 o 50.97995 23.13191 -17.59906      149.9205 785.5842       450.0508 -117.8518      159.0019 109.1514 44.52990 45.93253 21.81142 63.21891       49.58477 
1 1 1 -23 25 33 o 70.11047 26.36742 177.0137       147.2249 -259.4695      466.7958 225.2284       155.1433 67.96157 33.43167 76.45914 27.33887 -8.497574      43.18669 
1 1 1 -23 25 34 o 45.28973 21.36332 -92.80558      147.7937 204.9294       467.8878 -125.8051      155.7689 79.75880 37.73917 44.69701 21.32693 35.06179       43.34838 
1 1 1 -23 26 1  o 215.6328 28.20943 1497.984       348.2005 0.000000       0.000000 1497.984       348.2005 ?        ?        215.6328 28.20943 0.000000       28.20943 
1 1 1 -23 26 2  o 330.3542 12.37500 3257.492       239.3354 3047.961       280.3524 3820.552       459.5769 318.1900 15.06616 350.9244 22.44798 -32.73444      27.03518 
1 1 1 -23 26 3  o 183.3316 52.51446 1335.716       593.5303 0.000000       0.000000 1335.716       593.5303 ?        ?        183.3316 52.51446 0.000000       52.51446 
1 1 1 -23 26 4  f 203.7036 13.23057 1245.291       157.2070 1265.211       182.4666 1187.912       309.6788 204.5439 15.32194 191.3552 28.45940 13.18871       32.32181 
1 1 1 -23 26 5  o 203.8269 13.88781 1250.249       165.0227 1133.290       171.4543 2722.036       608.2128 193.5109 15.23016 281.4393 37.80370 -87.92845      40.75632 
1 1 1 -23 26 6  o 52.85256 22.32876 18.60080       118.8955 10.00804       130.3043 61.32537       290.5569 54.09642 23.13291 80.28303 34.44160 -26.18660      41.48922 
1 1 1 -23 26 7  o 132.7932 17.78175 545.1004       135.0069 487.3709       153.2469 745.2295       285.3302 123.8473 21.89960 147.2537 33.76133 -23.40643      40.24201 
1 1 1 -23 26 8  o 41.82795 19.54336 -102.7599      118.6976 -75.41573      131.3577 -224.4560      277.1158 46.62550 21.34616 62.48009 29.40449 -15.85460      36.33569 
1 1 1 -23 26 9  o 172.7231 14.02683 902.7999       140.8671 897.5061       162.8036 918.5695       280.9888 171.2483 16.41073 165.7097 30.01775 5.538574       34.21078 
1 1 1 -23 26 10 o 64.82193 29.88005 -129.6770      263.4961 0.000000       0.000000 -129.6770      263.4961 ?        ?        64.82193 29.88005 0.000000       29.88005 
1 1 1 -23 26 11 o 44.14218 19.15448 -5.325549      91.89515 0.000000       0.000000 -5.325549      91.89515 ?        ?        44.14218 19.15448 0.000000       19.15448 
1 1 1 -23 26 12 o 239.2407 9.821847 1705.754       137.5163 0.000000       0.000000 1705.754       137.5163 ?        ?        239.2407 9.821847 0.000000       9.821847 
1 1 1 -23 26 13 o 124.7701 16.16183 482.4560       115.4878 0.000000       0.000000 482.4560       115.4878 ?        ?        124.7701 16.16183 0.000000       16.16183 
1 1 1 -23 26 14 o 180.3460 12.50706 983.3182       131.4660 0.000000       0.000000 983.3182       131.4660 ?        ?        180.3460 12.50706 0.000000       12.50706 
1 1 1 -23 26 15 o 64.99253 23.41337 122.5340       114.0246 0.000000       0.000000 122.5340       114.0246 ?        ?        64.99253 23.41337 0.000000       23.41337 
1 1 1 -23 26 16 o 67.44847 23.31317 139.8014       112.1436 0.000000       0.000000 139.8014       112.1436 ?        ?        67.44847 23.31317 0.000000       23.31317 
1 1 1 -23 26 17 o 135.1348 15.65139 567.3085       121.7517 0.000000       0.000000 567.3085       121.7517 ?        ?        135.1348 15.65139 0.000000       15.65139 
1 1 1 -23 26 18 o 212.7204 10.84976 1361.878       134.9096 0.000000       0.000000 1361.878       134.9096 ?        ?        212.7204 10.84976 0.000000       10.84976 
1 1 1 -23 26 19 o 52.61360 22.07954 33.73044       115.0260 0.000000       0.000000 33.73044       115.0260 ?        ?        52.61360 22.07954 0.000000       22.07954 
1 1 1 -23 26 20 o 125.8136 16.68118 499.7531       120.0549 0.000000       0.000000 499.7531       120.0549 ?        ?        125.8136 16.68118 0.000000       16.68118 
1 1 1 -23 26 21 o 46.52932 20.78644 -23.83328      115.8214 0.000000       0.000000 -23.83328      115.8214 ?        ?        46.52932 20.78644 0.000000       20.78644 
1 1 1 -23 26 22 o 93.95671 38.65978 329.5414       342.8869 0.000000       0.000000 329.5414       342.8869 ?        ?        93.95671 38.65978 0.000000       38.65978 
1 1 1 -23 26 23 o 104.0460 21.18674 364.3568       124.8843 0.000000       0.000000 364.3568       124.8843 ?        ?        104.0460 21.18674 0.000000       21.18674 
1 1 1 -23 26 24 f 59.92441 23.47447 94.67978       120.0037 0.000000       0.000000 94.67978       120.0037 ?        ?        59.92441 23.47447 0.000000       23.47447 
1 1 1 -23 26 25 o 80.15376 24.29718 227.3108       124.0945 0.000000       0.000000 227.3108       124.0945 ?        ?        80.15376 24.29718 0.000000       24.29718 
1 1 1 -23 26 26 o 142.4225 16.28199 649.3450       133.5583 0.000000       0.000000 649.3450       133.5583 ?        ?        142.4225 16.28199 0.000000       16.28199 
1 1 1 -23 26 27 o 80.84879 25.97537 239.9465       139.6713 0.000000       0.000000 239.9465       139.6713 ?        ?        80.84879 25.97537 0.000000       25.97537 
1 1 1 -23 26 28 o 68.49685 25.90893 156.3023       142.6103 0.000000       0.000000 156.3023       142.6103 ?        ?        68.49685 25.90893 0.000000       25.90893 
1 1 1 -23 26 29 o 73.38924 26.43922 194.3646       145.4029 0.000000       0.000000 194.3646       145.4029 ?        ?        73.38924 26.43922 0.000000       26.43922 
1 1 1 -23 26 30 o 128.6673 21.54552 575.4898       156.8401 0.000000       0.000000 575.4898       156.8401 ?        ?        128.6673 21.54552 0.000000       21.54552 
1 1 1 -23 26 31 o 92.07455 27.69055 335.7157       161.6332 0.000000       0.000000 335.7157       161.6332 ?        ?        92.07455 27.69055 0.000000       27.69055 
1 1 1 -23 26 32 f 84.54428 27.97822 285.5033       161.4412 0.000000       0.000000 285.5033       161.4412 ?        ?        84.54428 27.97822 0.000000       27.97822 
1 1 1 -23 26 33 o 99.41109 26.78304 388.2227       159.6377 0.000000       0.000000 388.2227       159.6377 ?        ?        99.41109 26.78304 0.000000       26.78304 
1 1 1 -23 27 1  o 293.2566 12.39007 2576.353       212.6142 2591.948       245.5752 2529.673       424.8680 293.1034 14.32951 280.6664 26.11098 12.43695       29.78453 
1 1 1 -23 27 2  o 284.7310 35.44367 2786.850       579.0891 0.000000       0.000000 2786.850       579.0891 ?        ?        284.7310 35.44367 0.000000       35.44367 
1 1 1 -23 27 3  o 451.5871 26.81438 6562.247       706.9686 0.000000       0.000000 6562.247       706.9686 ?        ?        451.5871 26.81438 0.000000       26.81438 
1 1 1 -23 27 4  o 216.0386 44.50932 1758.253       545.1664 0.000000       0.000000 1758.253       545.1664 ?        ?        216.0386 44.50932 0.000000       44.50932 
1 1 1 -23 27 5  o 68.98763 22.22153 147.4920       102.1741 152.2346       109.8921 117.2422       277.5357 70.26676 23.07548 82.01273 34.34882 -11.74596      41.38018 
1 1 1 -23 27 6  o 126.1858 36.81090 574.5573       289.1837 0.000000       0.000000 574.5573       289.1837 ?        ?        126.1858 36.81090 0.000000       36.81090 
1 1 1 -23 27 7  o 67.04202 22.45166 136.5518       103.8975 0.000000       0.000000 136.5518       103.8975 ?        ?        67.04202 22.45166 0.000000       22.45166 
1 1 1 -23 27 8  f 247.7956 9.724238 1828.486       141.0444 0.000000       0.000000 1828.486       141.0444 ?        ?        247.7956 9.724238 0.000000       9.724238 
1 1 1 -23 27 9  o 58.35208 22.63147 77.92056       110.6526 0.000000       0.000000 77.92056       110.6526 ?        ?        58.35208 22.63147 0.000000       22.63147 
1 1 1 -23 27 10 o 49.87575 21.11365 18.06461       106.6613 0.000000       0.000000 18.06461       106.6613 ?        ?        49.87575 21.11365 0.000000       21.11365 
1 1 1 -23 27 11 o 231.1090 10.23527 1596.560       138.3847 0.000000       0.000000 1596.560       138.3847 ?        ?        231.1090 10.23527 0.000000       10.23527 
1 1 1 -23 27 12 o 57.35963 21.92704 80.56725       102.8142 0.000000       0.000000 80.56725       102.8142 ?        ?        57.35963 21.92704 0.000000       21.92704 
1 1 1 -23 27 13 o 47.30003 20.65291 -6.311108      108.2452 0.000000       0.000000 -6.311108      108.2452 ?        ?        47.30003 20.65291 0.000000       20.65291 
1 1 1 -23 27 14 o 56.91218 22.38713 72.15948       109.5323 0.000000       0.000000 72.15948       109.5323 ?        ?        56.91218 22.38713 0.000000       22.38713 
1 1 1 -23 27 15 o 44.76393 20.24117 -43.14185      113.6031 0.000000       0.000000 -43.14185      113.6031 ?        ?        44.76393 20.24117 0.000000       20.24117 
1 1 1 -23 27 16 o 108.0856 19.70331 378.2444       120.2981 0.000000       0.000000 378.2444       120.2981 ?        ?        108.0856 19.70331 0.000000       19.70331 
1 1 1 -23 27 17 o 197.4791 10.99086 1175.786       126.7905 0.000000       0.000000 1175.786       126.7905 ?        ?        197.4791 10.99086 0.000000       10.99086 
1 1 1 -23 27 18 o 132.0989 16.18691 547.6267       122.7871 0.000000       0.000000 547.6267       122.7871 ?        ?        132.0989 16.18691 0.000000       16.18691 
1 1 1 -23 27 19 o 62.80423 23.35316 113.6466       114.8227 0.000000       0.000000 113.6466       114.8227 ?        ?        62.80423 23.35316 0.000000       23.35316 
1 1 1 -23 27 20 o 116.8487 18.27548 440.8485       121.1396 0.000000       0.000000 440.8485       121.1396 ?        ?        116.8487 18.27548 0.000000       18.27548 
1 1 1 -23 27 21 o 66.24128 24.10179 136.7509       121.2166 0.000000       0.000000 136.7509       121.2166 ?        ?        66.24128 24.10179 0.000000       24.10179 
1 1 1 -23 27 22 o 97.43562 22.35309 325.4411       125.0149 0.000000       0.000000 325.4411       125.0149 ?        ?        97.43562 22.35309 0.000000       22.35309 
1 1 1 -23 27 23 o 49.19402 21.74061 -4.647231      123.2927 0.000000       0.000000 -4.647231      123.2927 ?        ?        49.19402 21.74061 0.000000       21.74061 
1 1 1 -23 27 24 o 80.79754 30.64807 234.0473       199.8869 0.000000       0.000000 234.0473       199.8869 ?        ?        80.79754 30.64807 0.000000       30.64807 
1 1 1 -23 27 25 o 49.60745 22.04055 -5.719343      128.3916 0.000000       0.000000 -5.719343      128.3916 ?        ?        49.60745 22.04055 0.000000       22.04055 
1 1 1 -23 27 26 o 157.0217 15.58193 785.6409       141.6024 0.000000       0.000000 785.6409       141.6024 ?        ?        157.0217 15.58193 0.000000       15.58193 
1 1 1 -23 27 27 f 67.69466 25.46914 152.3876       137.3948 0.000000       0.000000 152.3876       137.3948 ?        ?        67.69466 25.46914 0.000000       25.46914 
1 1 1 -23 27 28 o 62.06419 24.93946 108.2277       138.7570 0.000000       0.000000 108.2277       138.7570 ?        ?        62.06419 24.93946 0.000000       24.93946 
1 1 1 -23 27 29 o 99.22457 25.97647 372.5658       152.9084 0.000000       0.000000 372.5658       152.9084 ?        ?        99.22457 25.97647 0.000000       25.97647 
1 1 1 -23 27 30 o 74.92481 27.27062 211.7392       155.2049 0.000000       0.000000 211.7392       155.2049 ?        ?        74.92481 27.27062 0.000000       27.27062 
1 1 1 -23 27 31 o 104.6454 26.87181 424.7217       165.7620 0.000000       0.000000 424.7217       165.7620 ?        ?        104.6454 26.87181 0.000000       26.87181 
1 1 1 -23 27 32 o 111.0052 25.56539 468.2752       163.0000 0.000000       0.000000 468.2752       163.0000 ?        ?        111.0052 25.56539 0.000000       25.56539 
1 1 1 -23 28 1  f 182.4522 13.10640 1006.437       139.3092 1013.846       150.5394 962.2610       367.5783 182.6699 14.16237 160.5882 39.34366 22.08167       41.81503 
1 1 1 -23 28 2  o 399.8488 17.71722 4921.920       414.4406 4131.563       535.7938 6099.163       653.9116 356.9841 25.76499 433.9032 25.81326 -76.91910      36.47135 
1 1 1 -23 28 3  o 199.5160 10.99296 1192.470       128.1331 0.000000       0.000000 1192.470       128.1331 ?        ?        199.5160 10.99296 0.000000       10.99296 
1 1 1 -23 28 4  o 291.6042 18.63529 2637.876       317.0309 0.000000       0.000000 2637.876       317.0309 ?        ?        291.6042 18.63529 0.000000       18.63529 
1 1 1 -23 28 5  o 273.8159 20.38637 2354.211       325.0286 0.000000       0.000000 2354.211       325.0286 ?        ?        273.8159 20.38637 0.000000       20.38637 
1 1 1 -23 28 6  o 56.86607 22.51186 67.19859       111.3927 0.000000       0.000000 67.19859       111.3927 ?        ?        56.86607 22.51186 0.000000       22.51186 
1 1 1 -23 28 7  o 69.73228 23.51695 150.8102       113.9785 0.000000       0.000000 150.8102       113.9785 ?        ?        69.73228 23.51695 0.000000       23.51695 
1 1 1 -23 28 8  o 149.4372 13.88802 681.5114       120.3236 0.000000       0.000000 681.5114       120.3236 ?        ?        149.4372 13.88802 0.000000       13.88802 
1 1 1 -23 28 9  o 180.0770 11.67527 977.2902       122.6389 0.000000       0.000000 977.2902       122.6389 ?        ?        180.0770 11.67527 0.000000       11.67527 
1 1 1 -23 28 10 o 98.12278 18.54476 307.8618       102.8096 0.000000       0.000000 307.8618       102.8096 ?        ?        98.12278 18.54476 0.000000       18.54476 
1 1 1 -23 28 11 o 92.58009 19.35468 277.1423       101.7005 0.000000       0.000000 277.1423       101.7005 ?        ?        92.58009 19.35468 0.000000       19.35468 
1 1 1 -23 28 12 o 142.1519 13.57945 618.3651       111.8359 0.000000       0.000000 618.3651       111.8359 ?        ?        142.1519 13.57945 0.000000       13.57945 
1 1 1 -23 28 13 o 94.91393 20.75047 295.7193       112.2783 0.000000       0.000000 295.7193       112.2783 ?        ?        94.91393 20.75047 0.000000       20.75047 
1 1 1 -23 28 14 o 156.1702 14.50943 751.1945       131.3721 0.000000       0.000000 751.1945       131.3721 ?        ?        156.1702 14.50943 0.000000       14.50943 
1 1 1 -23 28 15 o 59.57630 22.83182 91.44044       111.6606 0.000000       0.000000 91.44044       111.6606 ?        ?        59.57630 22.83182 0.000000       22.83182 
1 1 1 -23 28 16 o 79.03278 23.64488 210.9739       118.0827 0.000000       0.000000 210.9739       118.0827 ?        ?        79.03278 23.64488 0.000000       23.64488 
1 1 1 -23 28 17 o 156.1263 13.93137 751.7415       126.2230 0.000000       0.000000 751.7415       126.2230 ?        ?        156.1263 13.93137 0.000000       13.93137 
1 1 1 -23 28 18 o 109.4068 21.61981 400.4999       133.8017 0.000000       0.000000 400.4999       133.8017 ?        ?        109.4068 21.61981 0.000000       21.61981 
1 1 1 -23 28 19 o 160.4418 14.91219 803.3718       138.7105 0.000000       0.000000 803.3718       138.7105 ?        ?        160.4418 14.91219 0.000000       14.91219 
1 1 1 -23 28 20 o 101.5882 21.97343 350.8808       127.1019 0.000000       0.000000 350.8808       127.1019 ?        ?        101.5882 21.97343 0.000000       21.97343 
1 1 1 -23 28 21 o 79.92310 24.79473 224.6541       128.2910 0.000000       0.000000 224.6541       128.2910 ?        ?        79.92310 24.79473 0.000000       24.79473 
1 1 1 -23 28 22 o 153.0928 14.67131 735.0797       130.1167 0.000000       0.000000 735.0797       130.1167 ?        ?        153.0928 14.67131 0.000000       14.67131 
1 1 1 -23 28 23 o 73.93830 24.81453 191.2350       126.9103 0.000000       0.000000 191.2350       126.9103 ?        ?        73.93830 24.81453 0.000000       24.81453 
1 1 1 -23 28 24 o 63.42511 24.77216 117.5247       133.3103 0.000000       0.000000 117.5247       133.3103 ?        ?        63.42511 24.77216 0.000000       24.77216 
1 1 1 -23 28 25 o 97.04869 23.10128 334.6514       129.5803 0.000000       0.000000 334.6514       129.5803 ?        ?        97.04869 23.10128 0.000000       23.10128 
1 1 1 -23 28 26 o 63.30813 24.97540 118.6669       136.6738 0.000000       0.000000 118.6669       136.6738 ?        ?        63.30813 24.97540 0.000000       24.97540 
1 1 1 -23 28 27 o 78.39319 34.72429 188.8406       316.2838 0.000000       0.000000 188.8406       316.2838 ?        ?        78.39319 34.72429 0.000000       34.72429 
1 1 1 -23 28 28 o 69.85149 26.78635 169.3394       153.7549 0.000000       0.000000 169.3394       153.7549 ?        ?        69.85149 26.78635 0.000000       26.78635 
1 1 1 -23 28 29 o 56.38507 24.88653 32.80198       161.0597 0.000000       0.000000 32.80198       161.0597 ?        ?        56.38507 24.88653 0.000000       24.88653 
1 1 1 -23 28 30 o 53.50800 24.24913 -7.832289      164.1374 0.000000       0.000000 -7.832289      164.1374 ?        ?        53.50800 24.24913 0.000000       24.24913 
1 1 1 -23 28 31 o 158.0250 19.21234 849.1223       174.4017 0.000000       0.000000 849.1223       174.4017 ?        ?        158.0250 19.21234 0.000000       19.21234 
1 1 1 -23 29 1  o 72.49479 23.25920 168.2887       112.0159 603.0546       483.6050 143.6407       115.1474 121.3452 47.24276 68.52985 23.62618 52.81536       52.82116 
1 1 1 -23 29 2  o 251.3669 17.89731 1963.324       262.1176 2036.826       462.9769 1928.651       317.9891 239.9270 33.84134 245.3519 22.34387 -5.424835      40.55224 
1 1 1 -23 29 3  o 195.2162 29.42257 1300.572       326.4024 1383.041       459.2459 1216.389       463.9962 187.3251 42.74834 171.8635 45.37409 15.46155       62.33963 
1 1 1 -23 29 4  o 206.8817 11.15330 1285.945       134.8241 0.000000       0.000000 1285.945       134.8241 ?        ?        206.8817 11.15330 0.000000       11.15330 
1 1 1 -23 29 5  o 110.1738 18.60777 386.1957       115.9552 0.000000       0.000000 386.1957       115.9552 ?        ?        110.1738 18.60777 0.000000       18.60777 
1 1 1 -23 29 6  o 167.8617 12.97363 856.0182       126.7309 0.000000       0.000000 856.0182       126.7309 ?        ?        167.8617 12.97363 0.000000       12.97363 
1 1 1 -23 29 7  o 142.5022 14.09697 622.5685       116.2722 0.000000       0.000000 622.5685       116.2722 ?        ?        142.5022 14.09697 0.000000       14.09697 
1 1 1 -23 29 8  o 108.8395 18.16450 376.8787       111.8635 0.000000       0.000000 376.8787       111.8635 ?        ?        108.8395 18.16450 0.000000       18.16450 
1 1 1 -23 29 9  o 155.3483 13.94968 739.3352       125.7411 0.000000       0.000000 739.3352       125.7411 ?        ?        155.3483 13.94968 0.000000       13.94968 
1 1 1 -23 29 10 o 72.58405 24.43239 169.1826       123.0261 0.000000       0.000000 169.1826       123.0261 ?        ?        72.58405 24.43239 0.000000       24.43239 
1 1 1 -23 29 11 o 47.30270 20.63636 -3.459634      107.8721 0.000000       0.000000 -3.459634      107.8721 ?        ?        47.30270 20.63636 0.000000       20.63636 
1 1 1 -23 29 12 o 62.73157 23.15732 111.8653       112.5347 0.000000       0.000000 111.8653       112.5347 ?        ?        62.73157 23.15732 0.000000       23.15732 
1 1 1 -23 29 13 o 62.97276 23.14571 114.4674       112.2180 0.000000       0.000000 114.4674       112.2180 ?        ?        62.97276 23.14571 0.000000       23.14571 
1 1 1 -23 29 14 o 78.39293 23.72528 207.6792       118.3876 0.000000       0.000000 207.6792       118.3876 ?        ?        78.39293 23.72528 0.000000       23.72528 
1 1 1 -23 29 15 o 156.6538 13.95371 757.2302       126.8577 0.000000       0.000000 757.2302       126.8577 ?        ?        156.6538 13.95371 0.000000       13.95371 
1 1 1 -23 29 16 o 64.83672 23.76126 126.8936       118.1289 0.000000       0.000000 126.8936       118.1289 ?        ?        64.83672 23.76126 0.000000       23.76126 
1 1 1 -23 29 17 o 112.0382 20.03299 414.2497       126.8001 0.000000       0.000000 414.2497       126.8001 ?        ?        112.0382 20.03299 0.000000       20.03299 
1 1 1 -23 29 18 o 189.4220 12.15752 1096.941       134.3468 0.000000       0.000000 1096.941       134.3468 ?        ?        189.4220 12.15752 0.000000       12.15752 
1 1 1 -23 29 19 o 127.6540 17.79155 525.9820       129.5842 0.000000       0.000000 525.9820       129.5842 ?        ?        127.6540 17.79155 0.000000       17.79155 
1 1 1 -23 29 20 o 58.38702 24.57011 58.96519       143.0554 0.000000       0.000000 58.96519       143.0554 ?        ?        58.38702 24.57011 0.000000       24.57011 
1 1 1 -23 29 21 o 64.89191 23.94490 132.3724       120.2980 0.000000       0.000000 132.3724       120.2980 ?        ?        64.89191 23.94490 0.000000       23.94490 
1 1 1 -23 29 22 o 120.3131 20.34477 486.7505       138.4420 0.000000       0.000000 486.7505       138.4420 ?        ?        120.3131 20.34477 0.000000       20.34477 
1 1 1 -23 29 23 o 45.25400 20.97085 -67.65689      132.3286 0.000000       0.000000 -67.65689      132.3286 ?        ?        45.25400 20.97085 0.000000       20.97085 
1 1 1 -23 29 24 o 93.65168 25.04132 322.4483       140.1971 0.000000       0.000000 322.4483       140.1971 ?        ?        93.65168 25.04132 0.000000       25.04132 
1 1 1 -23 29 25 o 122.0419 20.99959 511.1000       144.8840 0.000000       0.000000 511.1000       144.8840 ?        ?        122.0419 20.99959 0.000000       20.99959 
1 1 1 -23 29 26 o 59.88243 25.45678 73.10008       156.1658 0.000000       0.000000 73.10008       156.1658 ?        ?        59.88243 25.45678 0.000000       25.45678 
1 1 1 -23 29 27 o 51.84427 23.66156 -26.70105      159.7597 0.000000       0.000000 -26.70105      159.7597 ?        ?        51.84427 23.66156 0.000000       23.66156 
1 1 1 -23 29 28 o 89.60559 29.50683 329.8018       179.6371 0.000000       0.000000 329.8018       179.6371 ?        ?        89.60559 29.50683 0.000000       29.50683 
1 1 1 -23 29 29 o 70.51250 33.01028 40.16175       341.4016 0.000000       0.000000 40.16175       341.4016 ?        ?        70.51250 33.01028 0.000000       33.01028 
1 1 1 -23 30 1  o 72.41303 23.80560 168.6697       116.9439 315.1639       460.0596 158.5502       120.9156 101.5614 43.44934 70.94599 24.21877 30.61546       49.74329 
1 1 1 -23 30 2  o 189.0419 13.27384 1087.725       146.2299 0.000000       0.000000 1087.725       146.2299 ?        ?        189.0419 13.27384 0.000000       13.27384 
1 1 1 -23 30 3  o 98.17922 38.18817 334.1018       315.7627 200.8698       424.4366 499.2433       472.5380 93.79534 40.92643 112.2453 45.69005 -18.44995      61.33965 
1 1 1 -23 30 4  o 89.07249 22.89597 265.2509       120.2566 0.000000       0.000000 265.2509       120.2566 ?        ?        89.07249 22.89597 0.000000       22.89597 
1 1 1 -23 30 5  o 187.6628 13.44188 1073.843       146.9612 0.000000       0.000000 1073.843       146.9612 ?        ?        187.6628 13.44188 0.000000       13.44188 
1 1 1 -23 30 6  o 48.76126 21.58869 -17.85355      122.1138 0.000000       0.000000 -17.85355      122.1138 ?        ?        48.76126 21.58869 0.000000       21.58869 
1 1 1 -23 30 7  o 104.5007 19.54839 353.3996       115.4036 0.000000       0.000000 353.3996       115.4036 ?        ?        104.5007 19.54839 0.000000       19.54839 
1 1 1 -23 30 8  o 116.7069 19.46858 438.9677       128.5630 0.000000       0.000000 438.9677       128.5630 ?        ?        116.7069 19.46858 0.000000       19.46858 
1 1 1 -23 30 9  o 71.60408 24.31730 164.9208       121.8785 0.000000       0.000000 164.9208       121.8785 ?        ?        71.60408 24.31730 0.000000       24.31730 
1 1 1 -23 30 10 f 83.93404 23.09677 238.1460       117.2569 0.000000       0.000000 238.1460       117.2569 ?        ?        83.93404 23.09677 0.000000       23.09677 
1 1 1 -23 30 11 o 74.40495 24.13716 184.0108       120.4168 0.000000       0.000000 184.0108       120.4168 ?        ?        74.40495 24.13716 0.000000       24.13716 
1 1 1 -23 30 12 o 50.36185 22.07141 -1.634649      124.6358 0.000000       0.000000 -1.634649      124.6358 ?        ?        50.36185 22.07141 0.000000       22.07141 
1 1 1 -23 30 13 o 48.28482 21.41165 -14.57732      120.5881 0.000000       0.000000 -14.57732      120.5881 ?        ?        48.28482 21.41165 0.000000       21.41165 
1 1 1 -23 30 14 o 42.42809 19.69161 -75.85907      117.3589 0.000000       0.000000 -75.85907      117.3589 ?        ?        42.42809 19.69161 0.000000       19.69161 
1 1 1 -23 30 15 o 82.87360 24.01200 238.6237       123.4256 0.000000       0.000000 238.6237       123.4256 ?        ?        82.87360 24.01200 0.000000       24.01200 
1 1 1 -23 30 16 o 101.5511 21.76444 349.4734       125.7261 0.000000       0.000000 349.4734       125.7261 ?        ?        101.5511 21.76444 0.000000       21.76444 
1 1 1 -23 30 17 o 117.9636 19.38460 457.5743       129.4541 0.000000       0.000000 457.5743       129.4541 ?        ?        117.9636 19.38460 0.000000       19.38460 
1 1 1 -23 30 18 o 139.8544 16.18863 622.0425       130.3321 0.000000       0.000000 622.0425       130.3321 ?        ?        139.8544 16.18863 0.000000       16.18863 
1 1 1 -23 30 19 o 75.43350 24.96501 199.2489       128.5391 0.000000       0.000000 199.2489       128.5391 ?        ?        75.43350 24.96501 0.000000       24.96501 
1 1 1 -23 30 20 o 121.3430 19.85981 491.4818       136.4474 0.000000       0.000000 491.4818       136.4474 ?        ?        121.3430 19.85981 0.000000       19.85981 
1 1 1 -23 30 21 o 79.01453 25.11959 225.4833       130.8849 0.000000       0.000000 225.4833       130.8849 ?        ?        79.01453 25.11959 0.000000       25.11959 
1 1 1 -23 30 22 o 63.24587 24.65040 119.1002       131.7798 0.000000       0.000000 119.1002       131.7798 ?        ?        63.24587 24.65040 0.000000       24.65040 
1 1 1 -23 30 23 f 82.51334 26.03628 253.9760       140.8442 0.000000       0.000000 253.9760       140.8442 ?        ?        82.51334 26.03628 0.000000       26.03628 
1 1 1 -23 30 24 o 116.9807 19.75521 463.2549       130.7119 0.000000       0.000000 463.2549       130.7119 ?        ?        116.9807 19.75521 0.000000       19.75521 
1 1 1 -23 30 25 o 136.4446 19.06124 624.8495       148.3742 0.000000       0.000000 624.8495       148.3742 ?        ?        136.4446 19.06124 0.000000       19.06124 
1 1 1 -23 30 26 o 59.21983 24.93544 79.18983       147.4806 0.000000       0.000000 79.18983       147.4806 ?        ?        59.21983 24.93544 0.000000       24.93544 
1 1 1 -23 30 27 o 45.83026 21.93390 -144.4707      167.4385 0.000000       0.000000 -144.4707      167.4385 ?        ?        45.83026 21.93390 0.000000       21.93390 
1 1 1 -23 30 28 o 78.56174 29.25119 246.0880       180.2598 0.000000       0.000000 246.0880       180.2598 ?        ?        78.56174 29.25119 0.000000       29.25119 
1 1 1 -23 31 1  o 120.2872 20.99521 472.7298       142.7267 0.000000       0.000000 472.7298       142.7267 ?        ?        120.2872 20.99521 0.000000       20.99521 
1 1 1 -23 31 2  o 193.3303 13.49834 1142.487       152.0877 981.0331       435.3958 1164.925       162.3121 148.3701 45.61705 194.7415 14.31152 -46.37148      47.80936 
1 1 1 -23 31 3  o 176.6337 12.98087 951.7686       133.5315 1223.371       443.0434 924.6311       140.0437 169.3229 44.16253 173.6126 13.86933 -4.289764      46.28917 
1 1 1 -23 31 4  o 99.49862 23.08199 333.5956       132.0787 1355.253       434.4866 229.5730       138.6397 182.2973 41.56489 82.09784 25.82186 100.1994       48.93269 
1 1 1 -23 31 5  o 57.87765 23.01941 74.55156       116.9879 508.6580       431.1532 40.05089       121.5479 110.1463 44.06384 54.36798 22.74826 55.77832       49.58936 
1 1 1 -23 31 6  o 119.3914 19.15932 459.8138       129.6175 0.000000       0.000000 459.8138       129.6175 ?        ?        119.3914 19.15932 0.000000       19.15932 
1 1 1 -23 31 7  o 62.80059 24.42482 101.9382       129.1615 0.000000       0.000000 101.9382       129.1615 ?        ?        62.80059 24.42482 0.000000       24.42482 
1 1 1 -23 31 8  o 106.5099 20.99632 375.4147       126.4902 0.000000       0.000000 375.4147       126.4902 ?        ?        106.5099 20.99632 0.000000       20.99632 
1 1 1 -23 31 9  o 72.26313 23.96414 172.8135       118.4226 0.000000       0.000000 172.8135       118.4226 ?        ?        72.26313 23.96414 0.000000       23.96414 
1 1 1 -23 31 10 o 140.8669 16.03578 624.3080       130.1240 0.000000       0.000000 624.3080       130.1240 ?        ?        140.8669 16.03578 0.000000       16.03578 
1 1 1 -23 31 11 o 79.76633 23.65568 218.6151       118.5973 0.000000       0.000000 218.6151       118.5973 ?        ?        79.76633 23.65568 0.000000       23.65568 
1 1 1 -23 31 12 o 74.73355 25.22112 189.1277       131.0959 0.000000       0.000000 189.1277       131.0959 ?        ?        74.73355 25.22112 0.000000       25.22112 
1 1 1 -23 31 13 o 40.72094 19.37071 -128.3929      126.5119 0.000000       0.000000 -128.3929      126.5119 ?        ?        40.72094 19.37071 0.000000       19.37071 
1 1 1 -23 31 14 f 51.12941 22.45133 2.379833       129.5285 0.000000       0.000000 2.379833       129.5285 ?        ?        51.12941 22.45133 0.000000       22.45133 
1 1 1 -23 31 15 o 160.6175 14.73270 806.8569       137.2352 0.000000       0.000000 806.8569       137.2352 ?        ?        160.6175 14.73270 0.000000       14.73270 
1 1 1 -23 31 16 o 138.8815 17.34988 620.4009       138.2419 0.000000       0.000000 620.4009       138.2419 ?        ?        138.8815 17.34988 0.000000       17.34988 
1 1 1 -23 31 17 o 65.30276 24.57660 131.3623       127.9549 0.000000       0.000000 131.3623       127.9549 ?        ?        65.30276 24.57660 0.000000       24.57660 
1 1 1 -23 31 18 o 116.1526 20.72211 455.5342       135.9820 0.000000       0.000000 455.5342       135.9820 ?        ?        116.1526 20.72211 0.000000       20.72211 
1 1 1 -23 31 19 o 210.3480 12.52126 1365.464       153.7685 0.000000       0.000000 1365.464       153.7685 ?        ?        210.3480 12.52126 0.000000       12.52126 
1 1 1 -23 31 20 o 59.35117 24.30858 83.97884       134.7680 0.000000       0.000000 83.97884       134.7680 ?        ?        59.35117 24.30858 0.000000       24.30858 
1 1 1 -23 31 21 o 58.93404 24.19542 82.74013       133.9212 0.000000       0.000000 82.74013       133.9212 ?        ?        58.93404 24.19542 0.000000       24.19542 
1 1 1 -23 31 22 o 91.03703 24.34861 303.0350       132.5263 0.000000       0.000000 303.0350       132.5263 ?        ?        91.03703 24.34861 0.000000       24.34861 
1 1 1 -23 31 23 o 52.13722 22.94781 16.00106       136.0531 0.000000       0.000000 16.00106       136.0531 ?        ?        52.13722 22.94781 0.000000       22.94781 
1 1 1 -23 31 24 o 70.01290 25.97425 173.3858       141.8923 0.000000       0.000000 173.3858       141.8923 ?        ?        70.01290 25.97425 0.000000       25.97425 
1 1 1 -23 31 25 o 146.5359 18.42740 717.2348       154.8711 0.000000       0.000000 717.2348       154.8711 ?        ?        146.5359 18.42740 0.000000       18.42740 
1 1 1 -23 31 26 o 45.87587 21.57347 -89.85497      148.6575 0.000000       0.000000 -89.85497      148.6575 ?        ?        45.87587 21.57347 0.000000       21.57347 
1 1 1 -23 31 27 o 54.40899 24.45345 9.145790       162.9371 0.000000       0.000000 9.145790       162.9371 ?        ?        54.40899 24.45345 0.000000       24.45345 
1 1 1 -23 32 1  o 139.8810 16.30936 615.8787       131.2898 863.6291       395.0912 585.1249       139.2001 138.3866 43.59932 135.3369 17.98229 3.049698       47.16210 
1 1 1 -23 32 2  o 234.0026 17.16368 1723.753       233.9106 1484.099       413.6460 1836.414       283.6109 194.0208 37.71095 238.1578 20.50466 -44.13692      42.92501 
1 1 1 -23 32 3  o 180.4221 15.14764 1012.061       158.8037 1152.138       436.4551 990.6868       170.4894 159.7329 44.79086 177.5219 16.56680 -17.78903      47.75647 
1 1 1 -23 32 4  o 189.6534 12.33539 1097.028       136.4586 1498.682       450.8208 1056.516       143.1751 188.7212 41.83107 185.5627 13.24312 3.158524       43.87731 
1 1 1 -23 32 5  o 113.5937 19.69004 422.1596       126.4237 1274.083       449.5230 348.9886       131.7411 168.2107 44.77772 101.3670 22.72324 66.84373       50.21344 
1 1 1 -23 32 6  o 151.3764 14.23100 710.3695       124.8590 1480.265       490.4200 657.0066       129.1136 179.3818 46.30260 144.8535 15.43572 34.52831       48.80771 
1 1 1 -23 32 7  o 169.7481 15.80559 903.3334       155.5417 0.000000       0.000000 903.3334       155.5417 ?        ?        169.7481 15.80559 0.000000       15.80559 
1 1 1 -23 32 8  o 149.9580 14.81034 701.2046       128.5534 0.000000       0.000000 701.2046       128.5534 ?        ?        149.9580 14.81034 0.000000       14.81034 
1 1 1 -23 32 9  o 44.36853 20.74103 -95.06583      133.9736 0.000000       0.000000 -95.06583      133.9736 ?        ?        44.36853 20.74103 0.000000       20.74103 
1 1 1 -23 32 10 o 41.46893 19.57639 -109.9894      124.5501 0.000000       0.000000 -109.9894      124.5501 ?        ?        41.46893 19.57639 0.000000       19.57639 
1 1 1 -23 32 11 o 61.01988 24.10135 95.49584       127.4119 0.000000       0.000000 95.49584       127.4119 ?        ?        61.01988 24.10135 0.000000       24.10135 
1 1 1 -23 32 12 o 216.1552 11.65075 1424.294       147.1507 0.000000       0.000000 1424.294       147.1507 ?        ?        216.1552 11.65075 0.000000       11.65075 
1 1 1 -23 32 13 o 34.59672 17.14120 -269.0939      130.6254 0.000000       0.000000 -269.0939      130.6254 ?        ?        34.59672 17.14120 0.000000       17.14120 
1 1 1 -23 32 14 o 94.35783 23.53102 312.5477       129.7690 0.000000       0.000000 312.5477       129.7690 ?        ?        94.35783 23.53102 0.000000       23.53102 
1 1 1 -23 32 15 o 97.03557 25.35205 340.0815       145.8392 0.000000       0.000000 340.0815       145.8392 ?        ?        97.03557 25.35205 0.000000       25.35205 
1 1 1 -23 32 16 o 54.50707 23.52184 31.84537       137.0537 0.000000       0.000000 31.84537       137.0537 ?        ?        54.50707 23.52184 0.000000       23.52184 
1 1 1 -23 32 17 o 110.3232 22.26636 421.6628       139.0957 0.000000       0.000000 421.6628       139.0957 ?        ?        110.3232 22.26636 0.000000       22.26636 
1 1 1 -23 32 18 o 50.08196 22.53964 -18.19267      138.9665 0.000000       0.000000 -18.19267      138.9665 ?        ?        50.08196 22.53964 0.000000       22.53964 
1 1 1 -23 32 19 o 70.35279 26.02698 169.6776       142.2880 0.000000       0.000000 169.6776       142.2880 ?        ?        70.35279 26.02698 0.000000       26.02698 
1 1 1 -23 32 20 o 78.12114 26.36799 225.9097       143.2896 0.000000       0.000000 225.9097       143.2896 ?        ?        78.12114 26.36799 0.000000       26.36799 
1 1 1 -23 32 21 o 116.4655 22.78609 479.1949       150.0623 0.000000       0.000000 479.1949       150.0623 ?        ?        116.4655 22.78609 0.000000       22.78609 
1 1 1 -23 32 22 o 76.66380 26.74128 220.6518       147.7098 0.000000       0.000000 220.6518       147.7098 ?        ?        76.66380 26.74128 0.000000       26.74128 
1 1 1 -23 32 23 o 70.01344 26.53422 172.6263       149.7487 0.000000       0.000000 172.6263       149.7487 ?        ?        70.01344 26.53422 0.000000       26.53422 
1 1 1 -23 32 24 o 74.84502 27.50580 210.9841       158.4701 0.000000       0.000000 210.9841       158.4701 ?        ?        74.84502 27.50580 0.000000       27.50580 
1 1 1 -23 32 25 o 111.6595 25.60996 470.3947       164.1320 0.000000       0.000000 470.3947       164.1320 ?        ?        111.6595 25.60996 0.000000       25.60996 
1 1 1 -23 33 1  o 76.65990 25.89675 200.5048       138.2140 507.8812       423.3567 163.8350       146.2262 106.4942 43.28493 71.74829 26.41264 34.74594       50.70713 
1 1 1 -23 33 2  o 132.3140 18.48886 565.1341       139.5600 127.0783       418.2507 620.0175       148.0447 85.42291 38.71109 138.5342 18.69854 -53.11128      42.99051 
1 1 1 -23 33 3  o 142.5868 15.61093 638.9520       128.4133 739.2096       418.2166 628.5158       134.9313 123.1939 44.77635 140.7645 16.66741 -17.57062      47.77787 
1 1 1 -23 33 4  o 90.40310 24.64903 286.6142       134.2551 0.000000       0.000000 286.6142       134.2551 ?        ?        90.40310 24.64903 0.000000       24.64903 
1 1 1 -23 33 5  o 135.4576 18.64580 594.0566       144.2016 802.0053       458.8266 571.2655       151.8984 124.6431 46.61632 131.6786 20.32254 -7.035530      50.85358 
1 1 1 -23 33 6  o 123.7080 19.50173 501.5454       136.8079 534.0786       455.9959 498.3274       143.4146 106.5259 44.27634 122.5227 20.69474 -15.99679      48.87399 
1 1 1 -23 33 7  f 43.65083 20.46263 -98.21893      131.9350 -150.3920      443.1282 -93.14411      138.2028 75.49910 36.00928 45.18290 21.10339 30.31620       41.73753 
1 1 1 -23 33 8  o 88.83819 25.23511 280.7828       137.6208 0.000000       0.000000 280.7828       137.6208 ?        ?        88.83819 25.23511 0.000000       25.23511 
1 1 1 -23 33 9  o 81.92871 26.06530 239.0713       140.9039 0.000000       0.000000 239.0713       140.9039 ?        ?        81.92871 26.06530 0.000000       26.06530 
1 1 1 -23 33 10 o 131.9230 19.92175 575.0802       149.3356 0.000000       0.000000 575.0802       149.3356 ?        ?        131.9230 19.92175 0.000000       19.92175 
1 1 1 -23 33 11 o 85.61730 26.26835 265.9660       144.4701 0.000000       0.000000 265.9660       144.4701 ?        ?        85.61730 26.26835 0.000000       26.26835 
1 1 1 -23 33 12 o 59.75840 24.30534 83.84128       133.5921 0.000000       0.000000 83.84128       133.5921 ?        ?        59.75840 24.30534 0.000000       24.30534 
1 1 1 -23 33 13 o 134.9282 18.04705 593.4097       139.2323 0.000000       0.000000 593.4097       139.2323 ?        ?        134.9282 18.04705 0.000000       18.04705 
1 1 1 -23 33 14 o 41.77499 19.59117 -88.45561      121.1446 0.000000       0.000000 -88.45561      121.1446 ?        ?        41.77499 19.59117 0.000000       19.59117 
1 1 1 -23 33 15 o 105.4906 24.24455 398.0466       146.8470 0.000000       0.000000 398.0466       146.8470 ?        ?        105.4906 24.24455 0.000000       24.24455 
1 1 1 -23 33 16 o 77.69475 25.53855 219.5224       134.5914 0.000000       0.000000 219.5224       134.5914 ?        ?        77.69475 25.53855 0.000000       25.53855 
1 1 1 -23 33 17 o 69.77291 26.90183 160.7200       155.6710 0.000000       0.000000 160.7200       155.6710 ?        ?        69.77291 26.90183 0.000000       26.90183 
1 1 1 -23 33 18 o 122.3655 22.57059 523.9088       156.0106 0.000000       0.000000 523.9088       156.0106 ?        ?        122.3655 22.57059 0.000000       22.57059 
1 1 1 -23 33 19 o 89.93958 27.88780 314.5644       162.3190 0.000000       0.000000 314.5644       162.3190 ?        ?        89.93958 27.88780 0.000000       27.88780 
1 1 1 -23 33 20 o 62.09826 26.32048 87.82785       166.1006 0.000000       0.000000 87.82785       166.1006 ?        ?        62.09826 26.32048 0.000000       26.32048 
1 1 1 -23 33 21 o 57.29851 24.95847 46.52658       157.2695 0.000000       0.000000 46.52658       157.2695 ?        ?        57.29851 24.95847 0.000000       24.95847 
1 1 1 -23 33 22 o 116.7671 25.99601 512.8402       173.4468 0.000000       0.000000 512.8402       173.4468 ?        ?        116.7671 25.99601 0.000000       25.99601 
1 1 1 -23 33 23 o 49.98069 23.49484 -89.57713      176.0215 0.000000       0.000000 -89.57713      176.0215 ?        ?        49.98069 23.49484 0.000000       23.49484 
1 1 1 -23 33 24 o 82.02180 29.58785 277.0035       182.1682 0.000000       0.000000 277.0035       182.1682 ?        ?        82.02180 29.58785 0.000000       29.58785 
1 1 1 -23 34 1  o 78.60896 25.50457 216.7528       134.4442 393.1984       455.4829 199.9129       140.7136 97.71386 42.52000 76.06663 26.12178 21.64723       49.90289 
1 1 1 -23 34 2  o 109.3463 21.05198 402.0426       130.1059 716.6997       450.1441 373.3603       135.9065 117.1633 45.58913 104.0951 22.88632 13.06817       51.01130 
1 1 1 -23 34 3  o 79.22916 25.50705 221.2191       134.6329 209.3794       432.0942 222.4921       141.6862 88.03487 39.67182 79.34933 26.20865 8.685539       47.54731 
1 1 1 -23 34 4  o 109.1228 20.52755 398.7014       126.5518 904.8524       419.1422 347.9314       132.7471 133.7822 45.09725 100.1675 23.07257 33.61461       50.65674 
1 1 1 -23 34 5  o 111.1407 20.68591 414.4872       129.8730 621.8436       426.8531 393.3335       136.3368 110.7828 44.00002 107.0380 22.43683 3.744736       49.39041 
1 1 1 -23 34 6  o 111.3878 21.75132 422.0989       136.9936 120.8307       435.5757 455.1710       144.3172 83.69003 38.51943 115.5182 22.10690 -31.82813      44.41240 
1 1 1 -23 34 7  o 72.57218 26.10855 178.1785       141.7309 0.000000       0.000000 178.1785       141.7309 ?        ?        72.57218 26.10855 0.000000       26.10855 
1 1 1 -23 34 8  o 117.8655 19.34923 459.8575       129.1151 782.5861       459.9008 432.2443       134.5254 118.6639 46.10649 113.0459 21.06563 5.618004       50.69092 
1 1 1 -23 34 9  o 81.38847 25.83408 239.2748       138.4818 0.000000       0.000000 239.2748       138.4818 ?        ?        81.38847 25.83408 0.000000       25.83408 
1 1 1 -23 34 10 o 62.13846 25.28984 95.92548       144.7454 0.000000       0.000000 95.92548       144.7454 ?        ?        62.13846 25.28984 0.000000       25.28984 
1 1 1 -23 34 11 o 59.93616 24.88759 77.52326       143.8745 0.000000       0.000000 77.52326       143.8745 ?        ?        59.93616 24.88759 0.000000       24.88759 
1 1 1 -23 34 12 o 58.24615 24.70976 59.39803       146.6135 0.000000       0.000000 59.39803       146.6135 ?        ?        58.24615 24.70976 0.000000       24.70976 
1 1 1 -23 34 13 o 63.88850 25.38988 116.8653       142.2134 0.000000       0.000000 116.8653       142.2134 ?        ?        63.88850 25.38988 0.000000       25.38988 
1 1 1 -23 34 14 o 72.26626 25.80134 183.4695       138.1314 0.000000       0.000000 183.4695       138.1314 ?        ?        72.26626 25.80134 0.000000       25.80134 
1 1 1 -23 34 15 f 116.8914 23.26414 482.7032       153.8745 0.000000       0.000000 482.7032       153.8745 ?        ?        116.8914 23.26414 0.000000       23.26414 
1 1 1 -23 34 16 o 65.03720 25.83972 126.4432       147.2610 0.000000       0.000000 126.4432       147.2610 ?        ?        65.03720 25.83972 0.000000       25.83972 
1 1 1 -23 34 17 o 129.5510 22.94762 591.9171       167.9720 0.000000       0.000000 591.9171       167.9720 ?        ?        129.5510 22.94762 0.000000       22.94762 
1 1 1 -23 34 18 o 112.7301 27.32179 486.7213       178.7262 0.000000       0.000000 486.7213       178.7262 ?        ?        112.7301 27.32179 0.000000       27.32179 
1 1 1 -23 34 19 o 77.19817 28.90911 227.4407       176.5749 0.000000       0.000000 227.4407       176.5749 ?        ?        77.19817 28.90911 0.000000       28.90911 
1 1 1 -23 34 20 o 47.51456 22.79555 -160.3342      183.3047 0.000000       0.000000 -160.3342      183.3047 ?        ?        47.51456 22.79555 0.000000       22.79555 
1 1 1 -23 34 21 o 98.36591 29.94066 399.9756       188.1723 0.000000       0.000000 399.9756       188.1723 ?        ?        98.36591 29.94066 0.000000       29.94066 
1 1 1 -23 34 22 f 117.8489 29.90806 568.3604       207.0238 0.000000       0.000000 568.3604       207.0238 ?        ?        117.8489 29.90806 0.000000       29.90806 
1 1 1 -23 35 1  o 116.6079 23.55592 473.8672       155.5417 778.0063       424.7506 426.7663       167.1525 120.8944 44.92295 108.1451 26.55284 12.74929       52.18357 
1 1 1 -23 35 2  o 235.8198 16.50320 1768.381       226.8031 2110.797       427.9688 1634.658       267.4478 234.9999 31.87316 221.7276 20.81013 13.27231       38.06521 
1 1 1 -23 35 3  o 133.0660 18.98495 582.3293       143.9626 1105.651       404.3428 506.3601       154.0580 151.7100 43.30830 121.4116 22.46297 30.29841       48.78723 
1 1 1 -23 35 4  o 135.6922 21.28422 621.7202       163.8133 710.2752       432.6480 606.9003       176.9906 114.6159 44.66700 132.0067 23.73390 -17.39077      50.58101 
1 1 1 -23 35 5  o 93.85726 24.47813 315.8497       136.1173 780.2182       450.4038 269.1751       142.7943 117.9514 45.68354 85.77596 26.07649 32.17548       52.60199 
1 1 1 -23 35 6  o 63.49445 25.19515 112.2837       139.8385 595.4246       451.9369 61.12975       147.0552 105.4806 43.97934 58.65408 24.80873 46.82657       50.49411 
1 1 1 -23 35 7  o 70.69756 25.69898 169.5114       137.7697 495.0881       437.8375 133.7335       145.1422 99.59345 42.49118 66.40998 25.87388 33.18347       49.74895 
1 1 1 -23 35 8  o 52.60183 23.39829 -0.6622404     145.1259 0.000000       0.000000 -0.6622404     145.1259 ?        ?        52.60183 23.39829 0.000000       23.39829 
1 1 1 -23 35 9  o 64.47431 25.39381 121.8034       141.0855 -115.8929      438.3374 149.2739       149.0152 73.44941 35.24136 68.35527 26.32958 5.094139       43.99091 
1 1 1 -23 35 10 o 62.35360 25.20227 103.2891       142.6007 0.000000       0.000000 103.2891       142.6007 ?        ?        62.35360 25.20227 0.000000       25.20227 
1 1 1 -23 35 11 o 69.44408 27.19461 154.4917       161.0081 0.000000       0.000000 154.4917       161.0081 ?        ?        69.44408 27.19461 0.000000       27.19461 
1 1 1 -23 35 12 o 115.3970 24.38354 478.0855       159.8460 0.000000       0.000000 478.0855       159.8460 ?        ?        115.3970 24.38354 0.000000       24.38354 
1 1 1 -23 35 13 o 51.56083 23.09961 -7.343159      144.1240 0.000000       0.000000 -7.343159      144.1240 ?        ?        51.56083 23.09961 0.000000       23.09961 
1 1 1 -23 35 14 o 53.61726 24.01951 -0.6865602     155.8070 0.000000       0.000000 -0.6865602     155.8070 ?        ?        53.61726 24.01951 0.000000       24.01951 
1 1 1 -23 35 15 o 69.43284 27.45241 158.9642       165.4606 0.000000       0.000000 158.9642       165.4606 ?        ?        69.43284 27.45241 0.000000       27.45241 
1 1 1 -23 35 16 o 79.71654 30.15386 248.0639       193.1732 0.000000       0.000000 248.0639       193.1732 ?        ?        79.71654 30.15386 0.000000       30.15386 
1 1 1 -23 35 17 o 84.94926 31.19009 298.0309       203.6898 0.000000       0.000000 298.0309       203.6898 ?        ?        84.94926 31.19009 0.000000       31.19009 
1 1 1 -23 35 18 o 72.45016 29.46739 180.2912       196.3632 0.000000       0.000000 180.2912       196.3632 ?        ?        72.45016 29.46739 0.000000       29.46739 
1 1 1 -23 35 19 o 90.28381 30.29484 340.1827       189.1576 0.000000       0.000000 340.1827       189.1576 ?        ?        90.28381 30.29484 0.000000       30.29484 
1 1 1 -23 35 20 o 68.67156 29.11547 142.3217       203.3547 0.000000       0.000000 142.3217       203.3547 ?        ?        68.67156 29.11547 0.000000       29.11547 
1 1 1 -23 36 1  o 121.0645 22.46924 506.8522       153.6627 429.5016       386.8163 521.3459       167.4414 96.21075 40.43960 121.2002 24.40162 -24.98949      47.23135 
1 1 1 -23 36 2  o 66.40838 26.85877 123.4271       162.0819 1137.175       405.2578 -69.60769      176.8415 152.1817 43.32927 52.36089 24.25673 99.82083       49.65697 
1 1 1 -23 36 3  o 173.7026 16.43744 966.7631       165.4603 1020.469       433.5132 957.6055       179.0119 136.7113 45.86239 171.3852 18.08200 -34.67389      49.29826 
1 1 1 -23 36 4  o 113.9102 24.19768 461.8954       156.6595 251.8193       436.7548 492.9143       167.8273 86.91688 39.45549 116.8890 25.22259 -29.97215      46.82856 
1 1 1 -23 36 5  o 67.36635 25.99696 143.0624       145.4676 929.2087       447.2770 50.07264       153.8305 126.9121 46.27919 58.14894 25.00495 68.76315       52.60238 
1 1 1 -23 36 6  o 62.83056 25.59422 102.8363       148.4078 -282.9185      428.4698 155.4243       158.2005 67.98145 33.14169 69.50945 27.03216 -1.527992      42.76809 
1 1 1 -23 36 7  o 76.59145 27.10769 213.1310       152.1686 706.0201       440.9689 146.5046       162.1275 110.7645 44.47651 68.63045 27.16209 42.13403       52.11468 
1 1 1 -23 36 8  o 55.35220 24.11263 31.02591       146.8155 486.6753       440.8181 -25.82228      155.7049 97.32385 42.09230 51.97178 23.57878 45.35207       48.24646 
1 1 1 -23 36 9  o 52.72561 23.98422 -27.46931      162.4287 0.000000       0.000000 -27.46931      162.4287 ?        ?        52.72561 23.98422 0.000000       23.98422 
1 1 1 -23 36 10 o 64.30578 26.30876 113.1376       157.6407 -64.11056      481.6312 134.4044       166.8299 75.87379 36.54208 67.20750 27.22494 8.666298       45.56886 
1 1 1 -23 36 11 o 54.16766 24.05219 11.77361       152.6668 -106.6913      480.1660 25.09594       161.0225 74.29974 35.95608 56.32904 24.87178 17.97070       43.72008 
1 1 1 -23 36 12 o 63.83551 26.70000 103.6517       167.3551 0.000000       0.000000 103.6517       167.3551 ?        ?        63.83551 26.70000 0.000000       26.70000 
1 1 1 -23 36 13 o 52.28035 24.08811 -45.94688      170.9717 0.000000       0.000000 -45.94688      170.9717 ?        ?        52.28035 24.08811 0.000000       24.08811 
1 1 1 -23 36 14 o 100.1312 29.70841 406.9104       187.0186 0.000000       0.000000 406.9104       187.0186 ?        ?        100.1312 29.70841 0.000000       29.70841 
1 1 1 -23 36 15 o 111.6233 29.78965 502.5074       198.6419 0.000000       0.000000 502.5074       198.6419 ?        ?        111.6233 29.78965 0.000000       29.78965 
1 1 1 -23 36 16 o 112.4976 31.91521 535.8195       220.2653 0.000000       0.000000 535.8195       220.2653 ?        ?        112.4976 31.91521 0.000000       31.91521 
1 1 1 -23 36 17 o 125.4213 30.66711 644.9497       223.6635 0.000000       0.000000 644.9497       223.6635 ?        ?        125.4213 30.66711 0.000000       30.66711 
1 1 1 -23 37 1  o 56.22420 24.81397 21.78628       160.0981 -51.05983      313.6217 47.45958       186.1846 67.10024 31.48508 61.26607 26.90938 5.834175       41.41769 
1 1 1 -23 37 2  o 131.8682 19.36292 581.3980       145.2909 1111.325       322.7537 446.7195       162.7093 163.3448 34.75956 110.2366 25.65103 53.10822       43.19957 
1 1 1 -23 37 3  o 91.56660 27.02085 318.7492       155.0533 -98.41853      330.4904 436.4889       175.5760 66.33996 31.48575 106.8831 27.76352 -40.54318      41.97816 
1 1 1 -23 37 4  o 92.92778 26.95610 328.4305       155.4658 84.75021       343.4779 391.2150       174.3472 74.78580 34.34212 100.3393 28.37009 -25.55353      44.54485 
1 1 1 -23 37 5  o 72.53735 27.15538 185.2444       155.7765 379.7552       346.7253 136.0526       174.3654 91.14252 38.29659 67.86259 27.70527 23.27994       47.26744 
1 1 1 -23 37 6  o 42.29380 20.49478 -192.4890      157.3396 186.1212       346.0234 -291.1744      176.6589 79.53297 35.69918 41.44533 20.42242 38.08764       41.12793 
1 1 1 -23 37 7  o 52.55370 24.24445 -50.71670      173.9749 -205.7353      340.3247 4.126018       202.4235 62.92053 30.40592 59.52787 26.95804 3.392658       40.63565 
1 1 1 -23 37 8  o 63.80833 26.21505 110.6940       157.3544 10.38410       346.6179 136.7332       176.6010 71.13828 33.28973 67.81911 27.80742 3.319168       43.37579 
1 1 1 -23 37 9  o 104.4107 26.77859 414.5583       164.7531 297.4513       372.6640 443.0069       183.6777 85.46248 37.78185 106.0059 28.80136 -20.54342      47.50775 
1 1 1 -23 37 10 o 100.7818 28.02530 397.1609       171.6355 541.1251       425.7116 369.2176       187.5544 98.08524 41.87464 95.13107 30.04863 2.954163       51.54033 
1 1 1 -23 37 11 o 47.99307 22.60829 -100.6762      164.5250 364.2955       443.5263 -174.8660      177.1651 88.72861 40.06967 46.09872 22.19199 42.62989       45.80462 
1 1 1 -23 37 12 o 69.02943 27.70957 155.1511       171.1056 50.21259       444.4335 173.4121       185.3963 76.50858 36.36947 71.54973 28.80096 4.958847       46.39217 
1 1 1 -23 37 13 o 59.51299 26.74575 23.54479       194.8835 0.000000       0.000000 23.54479       194.8835 ?        ?        59.51299 26.74575 0.000000       26.74575 
1 1 1 -23 37 14 o 63.35788 27.85165 73.96533       199.8370 0.000000       0.000000 73.96533       199.8370 ?        ?        63.35788 27.85165 0.000000       27.85165 
1 1 1 -23 38 1  o 47.06416 22.28406 -118.4916      163.6524 -9.085789      288.7765 -170.2515      198.6271 66.65137 30.91854 49.60897 23.78155 17.04240       39.00664 
1 1 1 -23 38 2  o 71.31441 26.46681 178.4196       147.3499 737.9297       315.5822 22.43537       166.6284 123.6234 38.96855 56.81728 25.18371 66.80608       46.39792 
1 1 1 -23 38 3  o 61.18652 25.85453 82.03345       159.4574 -356.7637      327.3694 218.5224       182.5807 57.31924 28.15677 76.81548 29.25507 -19.49625      40.60373 
1 1 1 -23 38 4  o 60.38755 25.57944 76.90687       156.7157 -7.116128      310.3800 105.6573       181.5585 68.12245 31.75399 65.26422 27.58339 2.858231       42.06137 
1 1 1 -23 38 5  f 69.85706 27.50736 162.2387       165.5136 300.0320       314.0212 109.2325       194.7638 85.14620 36.14382 66.51218 28.35733 18.63403       45.94033 
1 1 1 -23 38 6  o 77.81345 28.14931 229.2363       165.0300 409.5411       295.0615 147.1557       199.0807 93.44927 36.74853 69.99306 29.18669 23.45621       46.92886 
1 1 1 -23 38 7  o 66.84627 27.08143 136.2348       165.0953 271.1686       298.3620 76.68806       198.2040 82.67804 35.16868 63.99315 27.94420 18.68489       44.91897 
1 1 1 -23 38 8  f 87.76727 28.53846 306.1685       168.2809 198.6715       300.9034 355.0905       202.9932 77.78835 34.18644 91.85028 31.37932 -14.06193      46.40446 
1 1 1 -23 38 9  o 52.91292 24.01426 -15.44586      161.6845 111.8859       297.8117 -68.66242      192.5293 72.41121 32.75471 53.51805 24.96728 18.89315       41.18539 
1 1 1 -23 38 10 o 68.66177 27.22161 158.1226       163.1021 64.91215       324.2482 189.6960       188.7150 71.17271 32.92747 72.94182 29.16158 -1.769104      43.98427 
1 1 1 -22 0  1  o 122.4060 47.91386 618.2381       328.9005 618.2381       328.9005 618.2381       328.9005 122.4060 47.91386 122.4060 47.91386 0.000000       0.000000 
1 1 1 -22 0  2  o 221.1442 29.19328 1525.992       360.2797 1525.992       360.2797 1525.992       360.2797 221.1442 29.19328 221.1442 29.19328 0.000000       0.000000 
1 1 1 -22 0  3  o 89.03165 43.28936 352.0654       265.1725 352.0654       265.1725 352.0654       265.1725 89.03165 43.28936 89.03165 43.28936 0.000000       0.000000 
1 1 1 -22 0  4  o 470.0088 15.66062 6526.720       430.5965 6526.720       430.5965 6526.720       430.5965 470.0088 15.66062 470.0088 15.66062 0.000000       0.000000 
1 1 1 -22 0  5  o 157.3397 30.98283 814.5148       254.3370 814.5148       254.3370 814.5148       254.3370 157.3397 30.98283 157.3397 30.98283 0.000000       0.000000 
1 1 1 -22 0  6  o 139.3994 33.99351 670.6345       240.7557 670.6345       240.7557 670.6345       240.7557 139.3994 33.99351 139.3994 33.99351 0.000000       0.000000 
1 1 1 -22 0  7  o 249.0357 17.63531 1855.984       254.5469 1855.984       254.5469 1855.984       254.5469 249.0357 17.63531 249.0357 17.63531 0.000000       0.000000 
1 1 1 -22 0  8  o 70.13027 37.79649 211.9556       215.5523 211.9556       215.5523 211.9556       215.5523 70.13027 37.79649 70.13027 37.79649 0.000000       0.000000 
1 1 1 -22 0  9  o 778.1990 19.30205 17919.76       879.7120 17919.76       879.7120 17919.76       879.7120 778.1990 19.30205 778.1990 19.30205 0.000000       0.000000 
1 1 1 -22 0  10 o 281.6967 15.57261 2359.417       255.4625 2359.417       255.4625 2359.417       255.4625 281.6967 15.57261 281.6967 15.57261 0.000000       0.000000 
1 1 1 -22 0  11 o 185.0398 20.82489 1050.183       218.6428 1050.183       218.6428 1050.183       218.6428 185.0398 20.82489 185.0398 20.82489 0.000000       0.000000 
1 1 1 -22 0  12 o 270.7260 15.69219 2182.269       247.2198 2182.269       247.2198 2182.269       247.2198 270.7260 15.69219 270.7260 15.69219 0.000000       0.000000 
1 1 1 -22 0  13 o 294.9775 14.73845 2583.132       253.5121 2583.132       253.5121 2583.132       253.5121 294.9775 14.73845 294.9775 14.73845 0.000000       0.000000 
1 1 1 -22 0  14 o 96.56417 36.58462 377.5904       194.4242 377.5904       194.4242 377.5904       194.4242 96.56417 36.58462 96.56417 36.58462 0.000000       0.000000 
1 1 1 -22 0  15 o 161.8116 21.99672 817.3711       197.8549 817.3711       197.8549 817.3711       197.8549 161.8116 21.99672 161.8116 21.99672 0.000000       0.000000 
1 1 1 -22 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  17 o 89.89539 37.09218 340.3427       193.8403 340.3427       193.8403 340.3427       193.8403 89.89539 37.09218 89.89539 37.09218 0.000000       0.000000 
1 1 1 -22 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  19 o 332.1287 14.15239 3268.476       274.5268 3268.476       274.5268 3268.476       274.5268 332.1287 14.15239 332.1287 14.15239 0.000000       0.000000 
1 1 1 -22 0  20 o 53.11590 32.93888 64.13641       204.6438 64.13641       204.6438 64.13641       204.6438 53.11590 32.93888 53.11590 32.93888 0.000000       0.000000 
1 1 1 -22 0  21 o 255.8834 16.19778 1955.582       240.8189 1955.582       240.8189 1955.582       240.8189 255.8834 16.19778 255.8834 16.19778 0.000000       0.000000 
1 1 1 -22 0  22 o 85.20773 37.01373 312.7520       191.3386 312.7520       191.3386 312.7520       191.3386 85.20773 37.01373 85.20773 37.01373 0.000000       0.000000 
1 1 1 -22 0  23 o 49.38203 30.44800 59.89658       172.4529 59.89658       172.4529 59.89658       172.4529 49.38203 30.44800 49.38203 30.44800 0.000000       0.000000 
1 1 1 -22 0  24 o 44.76564 28.81802 7.495819       174.0877 7.495819       174.0877 7.495819       174.0877 44.76564 28.81802 44.76564 28.81802 0.000000       0.000000 
1 1 1 -22 0  25 o 120.6168 29.54848 505.2232       181.0242 505.2232       181.0242 505.2232       181.0242 120.6168 29.54848 120.6168 29.54848 0.000000       0.000000 
1 1 1 -22 0  26 o 38.75323 26.03057 -60.75787      167.3237 -60.75787      167.3237 -60.75787      167.3237 38.75323 26.03057 38.75323 26.03057 0.000000       0.000000 
1 1 1 -22 0  27 o 120.9972 26.94032 497.3885       167.0397 497.3885       167.0397 497.3885       167.0397 120.9972 26.94032 120.9972 26.94032 0.000000       0.000000 
1 1 1 -22 0  28 o 258.0746 14.35942 1988.178       215.7867 1988.178       215.7867 1988.178       215.7867 258.0746 14.35942 258.0746 14.35942 0.000000       0.000000 
1 1 1 -22 0  29 o 29.31435 20.82243 -199.6470      152.5733 -199.6470      152.5733 -199.6470      152.5733 29.31435 20.82243 29.31435 20.82243 0.000000       0.000000 
1 1 1 -22 0  30 o 202.6479 16.08462 1242.264       188.3107 1242.264       188.3107 1242.264       188.3107 202.6479 16.08462 202.6479 16.08462 0.000000       0.000000 
1 1 1 -22 0  31 o 37.91088 25.14003 -29.77498      147.6007 -29.77498      147.6007 -29.77498      147.6007 37.91088 25.14003 37.91088 25.14003 0.000000       0.000000 
1 1 1 -22 0  32 o 26.01856 18.65201 -207.9806      133.7737 -207.9806      133.7737 -207.9806      133.7737 26.01856 18.65201 26.01856 18.65201 0.000000       0.000000 
1 1 1 -22 0  33 o 337.9467 13.47471 3413.425       266.0992 3413.425       266.0992 3413.425       266.0992 337.9467 13.47471 337.9467 13.47471 0.000000       0.000000 
1 1 1 -22 0  34 o 61.63726 31.87668 179.7417       148.3298 179.7417       148.3298 179.7417       148.3298 61.63726 31.87668 61.63726 31.87668 0.000000       0.000000 
1 1 1 -22 0  35 o 171.3029 17.29546 911.5067       169.3757 911.5067       169.3757 911.5067       169.3757 171.3029 17.29546 171.3029 17.29546 0.000000       0.000000 
1 1 1 -22 0  36 o 36.54734 24.45910 -34.34735      145.3000 -34.34735      145.3000 -34.34735      145.3000 36.54734 24.45910 36.54734 24.45910 0.000000       0.000000 
1 1 1 -22 0  37 f 36.69407 24.48972 -27.67390      143.9096 -27.67390      143.9096 -27.67390      143.9096 36.69407 24.48972 36.69407 24.48972 0.000000       0.000000 
1 1 1 -22 0  38 o 127.7151 23.60511 553.9469       159.0309 553.9469       159.0309 553.9469       159.0309 127.7151 23.60511 127.7151 23.60511 0.000000       0.000000 
1 1 1 -22 0  39 o 47.33788 28.69366 87.33807       147.4179 87.33807       147.4179 87.33807       147.4179 47.33788 28.69366 47.33788 28.69366 0.000000       0.000000 
1 1 1 -22 0  40 o 90.93138 35.12597 373.4909       177.7063 373.4909       177.7063 373.4909       177.7063 90.93138 35.12597 90.93138 35.12597 0.000000       0.000000 
1 1 1 -22 0  41 o 326.0751 14.01798 3238.589       266.9432 3238.589       266.9432 3238.589       266.9432 326.0751 14.01798 326.0751 14.01798 0.000000       0.000000 
1 1 1 -22 0  42 o 139.6163 24.16436 670.4088       180.1090 670.4088       180.1090 670.4088       180.1090 139.6163 24.16436 139.6163 24.16436 0.000000       0.000000 
1 1 1 -22 0  43 o 32.82159 23.31676 -202.5959      191.5433 -202.5959      191.5433 -202.5959      191.5433 32.82159 23.31676 32.82159 23.31676 0.000000       0.000000 
1 1 1 -22 0  44 o 50.71769 31.93077 101.7806       200.0189 101.7806       200.0189 101.7806       200.0189 50.71769 31.93077 50.71769 31.93077 0.000000       0.000000 
1 1 1 -22 0  45 o 170.6125 18.03801 937.3643       175.4261 937.3643       175.4261 937.3643       175.4261 170.6125 18.03801 170.6125 18.03801 0.000000       0.000000 
1 1 1 -22 1  1  o 284.1234 16.90534 2398.193       280.4229 2123.790       376.6738 2739.372       420.0124 265.3956 24.47588 301.8536 23.92094 -36.45801      34.22397 
1 1 1 -22 1  2  o 327.3333 13.34937 3166.084       255.7345 3262.771       409.6435 3104.337       327.3628 330.3964 21.25347 323.2766 17.32984 7.119812       27.42323 
1 1 1 -22 1  3  o 238.1586 19.19460 1694.641       265.8303 1788.976       378.1906 1602.518       373.7307 242.5993 27.04007 229.0251 28.43482 13.57420       39.23907 
1 1 1 -22 1  4  o 378.5183 12.36672 4228.068       274.1629 3944.984       434.9807 4414.648       353.1381 363.6043 20.48093 386.0685 15.62889 -22.46420      25.76297 
1 1 1 -22 1  5  o 184.2678 22.47320 1027.451       237.8469 1013.205       317.9517 1045.553       358.4021 180.5088 31.15982 182.2766 34.79542 -1.767838      46.70820 
1 1 1 -22 1  6  o 316.7034 11.31758 2958.448       209.8736 3131.896       303.1501 2798.796       290.8445 324.9460 15.95607 307.0811 16.20682 17.86493       22.74329 
1 1 1 -22 1  7  o 179.5030 16.42304 961.9346       170.9787 912.5981       238.0654 1014.493       245.7167 173.0206 24.11546 182.7578 23.46576 -9.737167      33.64815 
1 1 1 -22 1  8  o 255.5701 12.16749 1930.339       181.8496 1983.161       252.0982 1873.038       262.5696 258.1656 16.74052 250.5822 17.98631 7.583328       24.57138 
1 1 1 -22 1  9  o 79.84935 27.08168 180.0514       151.1591 153.6724       209.9917 208.4189       217.7627 82.64439 31.39815 89.39191 32.33572 -6.747520      45.07153 
1 1 1 -22 1  10 o 76.17823 26.72318 156.7514       147.6379 209.3495       209.0060 104.3686       208.5777 88.65724 31.72812 77.39573 30.75152 11.26151       44.18517 
1 1 1 -22 1  11 o 197.2413 13.36932 1154.552       153.7389 966.4617       214.5895 1352.902       220.3647 178.7711 20.85880 212.6584 17.83297 -33.88736      27.44274 
1 1 1 -22 1  12 o 365.1564 9.900885 3929.764       211.8373 4021.338       304.2312 3843.580       295.1420 368.4422 14.10544 360.2231 13.99704 8.219116       19.87160 
1 1 1 -22 1  13 o 332.0269 10.15758 3251.013       197.5618 3127.621       275.8401 3380.976       283.0900 324.7024 14.52184 337.6729 14.32735 -12.97058      20.39993 
1 1 1 -22 1  14 o 283.9720 10.50165 2380.203       174.5962 2356.003       240.7627 2407.045       253.5674 281.6617 14.62517 284.5491 15.25018 -2.887421      21.12969 
1 1 1 -22 1  15 o 151.1335 15.61264 684.6545       136.3947 696.3138       187.9741 671.6899       198.2157 150.9010 21.87732 147.6504 23.69141 3.250580       32.24748 
1 1 1 -22 1  16 o 417.1133 9.855647 5126.558       241.0959 5092.362       341.9175 5160.374       340.0126 414.4481 14.08745 417.2652 13.91362 -2.817108      19.80013 
1 1 1 -22 1  17 f 320.6533 10.10431 3033.508       189.7800 3293.326       270.5069 2781.669       266.3209 333.2324 13.87175 305.9396 14.88761 27.29279       20.34862 
1 1 1 -22 1  18 o 48.40454 21.84032 -64.19617      131.4326 51.32989       183.4063 -186.1552      188.4436 68.40416 28.22306 51.90650 24.37163 16.49766       37.28965 
1 1 1 -22 1  19 o 95.00591 25.12634 282.8006       142.1265 196.1814       203.2019 365.7600       198.8628 86.20240 31.22847 107.6279 30.25333 -21.42546      43.47966 
1 1 1 -22 1  20 o 159.0142 16.57874 759.4825       152.3420 908.5648       211.4761 598.6615       219.6442 172.8463 21.31261 137.8895 28.11483 34.95679       35.27989 
1 1 1 -22 1  21 o 406.5356 10.23164 4875.256       243.7525 4690.970       341.5723 5066.491       347.9524 397.5273 14.67612 413.2523 14.37859 -15.72501      20.54586 
1 1 1 -22 1  22 o 159.8768 15.81782 766.5092       146.3724 829.7253       202.0881 696.7479       212.2922 164.9607 21.39191 149.8678 25.03575 15.09286       32.93027 
1 1 1 -22 1  23 o 61.17299 23.90351 71.87107       124.1716 185.6308       178.3156 -35.22548      173.0147 82.47405 29.32906 58.92827 25.90944 23.54578       39.13430 
1 1 1 -22 1  24 o 201.6907 11.95671 1207.347       140.7974 1251.304       198.6794 1163.000       199.5588 204.1892 16.73765 196.5959 17.49036 7.593323       24.20871 
1 1 1 -22 1  25 o 77.64169 23.81772 184.4734       118.7773 251.8904       169.8013 119.8786       166.2093 90.44891 28.59390 72.85816 27.87243 17.59075       39.93098 
1 1 1 -22 1  26 o 451.2615 14.46346 6069.258       382.2873 5770.798       611.7845 6260.451       489.6556 433.8238 24.14074 456.0990 18.34290 -22.27518      30.31893 
1 1 1 -22 1  27 o 99.67071 20.17582 310.7318       113.8852 431.7105       163.5426 196.8355       158.6833 116.5414 24.69607 81.62339 27.74671 34.91805       37.14534 
1 1 1 -22 1  28 o 225.3958 10.83360 1508.146       142.7893 1371.786       201.9760 1644.396       201.8932 213.2961 16.26879 234.1772 14.77564 -20.88109      21.97711 
1 1 1 -22 1  29 o 70.22765 23.47018 145.7922       113.5457 150.1745       160.3134 141.3809       160.8435 75.18319 27.65934 74.12926 27.62507 1.053925       39.09199 
1 1 1 -22 1  30 f 224.4557 10.64341 1497.709       139.7086 1568.045       201.9852 1433.194       193.4469 228.0965 15.18555 218.0107 15.22550 10.08578       21.50389 
1 1 1 -22 1  31 o 154.6765 13.93666 722.6953       125.0707 929.3942       176.9022 516.1158       176.8511 174.1637 17.55853 126.4618 24.73147 47.70190       30.33064 
1 1 1 -22 1  32 o 215.2548 10.54192 1382.476       132.6783 1362.548       182.2099 1404.969       193.5766 211.9644 14.74946 214.9053 15.46207 -2.940918      21.36872 
1 1 1 -22 1  33 o 175.7098 11.80562 929.5203       120.9504 1010.661       165.0930 835.5121       177.7016 181.5038 15.66238 163.2673 18.90754 18.23654       24.55209 
1 1 1 -22 1  34 o 89.34695 20.59279 261.1499       105.6921 215.3897       141.7125 318.5112       158.6621 80.62843 26.18681 96.21637 27.01491 -15.58794      37.62385 
1 1 1 -22 1  35 o 74.84924 21.66281 185.1866       100.5079 193.1662       142.4158 177.2686       141.8652 76.81472 26.28237 74.49249 26.19051 2.322235       37.10398 
1 1 1 -22 1  36 o 192.3131 11.09382 1117.457       124.5930 1005.827       175.2933 1231.431       177.1231 178.9846 16.89941 199.3489 15.26608 -20.36433      22.77374 
1 1 1 -22 1  37 o 172.7785 11.76921 908.8893       118.5460 996.8620       174.1888 832.9900       161.7951 177.5970 16.92831 161.9788 17.29911 15.61812       24.20386 
1 1 1 -22 1  38 o 52.50650 21.21824 57.20424       101.0577 58.35184       140.0367 55.95712       145.9831 58.11598 24.37360 58.63789 24.75582 -0.5219154     34.74079 
1 1 1 -22 1  39 o 57.72915 22.11774 92.38160       104.7657 158.6985       147.6194 25.08229       148.7088 70.13912 26.39745 55.73345 24.27331 14.40567       35.86111 
1 1 1 -22 1  40 o 300.6442 9.658475 2731.581       170.0779 2492.350       236.9386 2985.872       244.2826 282.1378 14.36666 310.0491 13.46630 -27.91129      19.69118 
1 1 1 -22 1  41 o 105.6309 20.83443 383.7551       124.4818 251.3787       178.4984 509.0926       173.6879 81.03549 29.28080 117.5775 25.88984 -36.54201      39.08515 
1 1 1 -22 1  42 o 168.3422 14.12592 895.7234       138.1784 877.0061       200.2563 912.7337       190.9063 158.7614 22.10630 163.9615 20.28532 -5.200058      30.00304 
1 1 1 -22 1  43 o 151.1213 16.58298 746.3353       144.5620 678.2075       212.1951 805.3420       197.4802 131.9757 28.26676 150.2345 23.15620 -18.25873      36.54065 
1 1 1 -22 1  44 o 90.97150 26.03283 320.9751       145.9264 290.6763       217.6647 345.7110       196.6707 82.56989 31.81725 89.73185 30.87946 -7.161957      44.33823 
1 1 1 -22 1  45 o 77.93385 24.40586 231.5149       123.9852 419.9861       427.9273 214.2437       129.5416 86.96226 39.30714 74.82775 25.06993 12.13451       46.62138 
1 1 1 -22 2  1  o 492.0257 15.20867 7161.443       438.3367 6875.977       586.5433 7522.544       659.6866 480.2592 20.87432 501.7250 22.47633 -21.46579      30.67446 
1 1 1 -22 2  2  o 339.2156 12.77436 3397.730       253.6816 3450.421       417.8301 3366.968       319.2592 339.8369 21.06782 336.9656 16.20249 2.871277       26.57769 
1 1 1 -22 2  3  o 238.2428 15.43367 1684.899       214.4846 1144.890       330.9828 2075.834       281.6161 192.4642 30.32533 263.9336 18.30678 -71.46938      35.42265 
1 1 1 -22 2  4  o 440.5325 14.59369 5739.222       376.5249 5226.065       492.0211 6464.453       584.9210 418.7622 20.09254 465.3182 21.49172 -46.55603      29.42115 
1 1 1 -22 2  5  o 291.8289 11.98884 2514.220       204.7529 2859.827       289.1646 2166.695       289.9658 310.5000 15.93264 269.5955 18.45056 40.90448       24.37770 
1 1 1 -22 2  6  o 306.8373 11.61149 2778.182       208.5750 2813.326       286.8018 2738.729       303.8775 307.9301 15.93526 303.5310 17.14009 4.399109       23.40332 
1 1 1 -22 2  7  o 371.5387 10.60903 4068.050       230.9327 4144.085       320.0968 3985.519       333.4911 374.1700 14.61497 366.7062 15.54180 7.463745       21.33413 
1 1 1 -22 2  8  o 121.2277 22.96636 453.3204       157.3086 517.3957       218.1066 383.8509       227.1019 128.2689 29.59512 111.0553 32.68307 17.21356       44.09143 
1 1 1 -22 2  9  o 298.0417 10.77078 2620.054       187.9575 2852.962       264.2158 2381.430       267.4377 310.2918 14.55964 283.0752 16.17641 27.21661       21.76372 
1 1 1 -22 2  10 o 83.39485 26.23207 208.0831       143.0766 225.8966       191.7736 185.7200       214.8726 89.22657 30.49940 86.54221 31.98967 2.684357       44.19901 
1 1 1 -22 2  11 o 231.9949 11.93302 1591.915       161.8146 1622.002       225.5054 1559.980       232.3277 233.2596 16.59249 228.5315 17.46658 4.728165       24.09133 
1 1 1 -22 2  12 o 654.8135 11.99468 12653.82       460.6349 12847.81       656.7772 12466.01       646.2232 657.4769 17.04722 647.6373 17.02853 9.839600       24.09520 
1 1 1 -22 2  13 o 204.3377 12.89656 1238.550       153.7630 1191.928       207.9863 1294.745       228.3442 199.3594 17.98192 207.5936 18.96460 -8.234222      26.13437 
1 1 1 -22 2  14 o 184.4530 15.32969 1015.496       164.3351 1218.945       210.8990 701.0356       262.1978 201.5685 18.03047 148.7498 31.05955 52.81871       35.91370 
1 1 1 -22 2  15 o 404.9132 9.933758 4830.945       235.8990 4982.689       331.3147 4674.919       335.9569 410.0865 13.79537 397.0048 14.45316 13.08170       19.98014 
1 1 1 -22 2  16 o 722.9556 17.85644 15570.26       757.1065 14141.58       991.6644 17566.75       1172.277 683.6537 24.77403 760.5533 26.32116 -76.89966      36.14632 
1 1 1 -22 2  17 o 159.1161 15.38404 758.0069       141.7721 767.6329       194.0710 746.9916       207.6047 158.6458 21.40397 155.8793 23.43346 2.766541       31.73732 
1 1 1 -22 2  18 o 195.0904 12.86251 1130.136       146.3465 1110.146       198.6430 1153.866       216.4294 192.2545 17.82038 195.6967 19.10025 -3.442200      26.12251 
1 1 1 -22 2  19 o 64.92498 25.33119 81.78417       139.2756 83.68520       188.5671 79.50224       206.5961 72.33074 29.07030 74.40418 30.23905 -2.073441      41.94619 
1 1 1 -22 2  20 o 356.9767 10.20401 3759.395       213.4103 3819.476       302.8187 3700.108       300.8068 358.7510 14.42199 353.0515 14.55901 5.699493       20.49289 
1 1 1 -22 2  21 o 364.3911 10.30338 3917.833       219.9691 3890.473       307.8748 3946.363       314.3940 362.0133 14.53056 364.5453 14.73561 -2.532043      20.69482 
1 1 1 -22 2  22 o 102.0293 23.19407 325.8188       135.6333 355.8731       181.5810 287.8854       203.9991 106.0622 28.56002 97.32919 31.40347 8.733063       42.44824 
1 1 1 -22 2  23 o 148.2395 16.28281 661.4847       139.2334 407.4358       192.7079 938.9417       201.3904 113.1167 28.93523 175.9552 19.86255 -62.83858      35.09656 
1 1 1 -22 2  24 o 41.61429 19.43442 -108.3105      117.1534 -38.43036      160.3580 -188.3037      171.5695 56.24142 24.82730 48.39701 22.88583 7.844410       33.76620 
1 1 1 -22 2  25 o 114.4862 18.65935 402.6012       120.9744 377.4349       172.7958 426.7940       169.4213 108.7593 27.17089 116.0588 25.58111 -7.299438      37.31823 
1 1 1 -22 2  26 o 283.3210 9.918780 2373.849       164.5573 2392.849       231.5903 2354.474       233.8648 283.2829 13.98278 280.9099 14.24186 2.372925       19.95868 
1 1 1 -22 2  27 o 257.8120 10.10576 1968.006       152.5039 1949.160       209.9689 1989.049       221.8688 255.4242 14.07095 257.8033 14.73567 -2.379135      20.37478 
1 1 1 -22 2  28 o 245.4637 11.65971 1791.457       167.3717 2079.789       237.3565 1506.296       236.0476 263.1936 15.44501 222.7905 18.22473 40.40311       23.88910 
1 1 1 -22 2  29 o 302.5436 11.42525 2720.189       202.3594 2623.336       283.8856 2820.237       288.5297 294.9973 16.47416 306.0684 16.13086 -11.07108      23.05651 
1 1 1 -22 2  30 o 296.7962 9.724818 2610.977       169.0455 2637.416       238.0480 2584.081       240.0980 296.7384 13.71565 293.5950 13.98426 3.143372       19.58772 
1 1 1 -22 2  31 o 113.1786 18.79554 400.1051       120.3841 353.5318       167.7437 449.5683       172.8696 103.5152 27.25941 117.3692 25.81697 -13.85395      37.54453 
1 1 1 -22 2  32 o 353.4596 9.486339 3711.619       196.4700 3531.518       274.3792 3901.133       281.4570 342.3763 13.69221 360.1075 13.35002 -17.73117      19.12328 
1 1 1 -22 2  33 o 230.6984 9.990097 1588.801       134.8448 1486.886       189.3290 1693.721       192.0999 220.8960 14.69794 236.2639 13.92546 -15.36797      20.24717 
1 1 1 -22 2  34 o 59.21208 21.90127 95.38757       100.7447 208.3950       143.3977 -14.75605      141.5690 79.57922 26.36964 52.77551 23.31107 26.80372       35.19608 
1 1 1 -22 2  35 o 89.81793 20.85871 266.4955       107.7648 365.6580       147.6148 153.3369       157.6885 103.5944 24.65460 72.27367 27.26497 31.32072       36.75905 
1 1 1 -22 2  36 o 114.1682 17.03386 413.8457       110.5692 443.7230       158.8447 385.7615       154.0046 114.0018 24.48877 105.6812 25.20300 8.320564       35.14102 
1 1 1 -22 2  37 o 144.7951 13.83214 648.7752       116.0351 589.7673       161.6819 711.4475       166.6265 133.3611 21.39522 147.9176 19.69673 -14.55650      29.08120 
1 1 1 -22 2  38 o 114.1153 17.08954 419.0545       110.8585 451.5967       155.1103 385.0745       158.4999 113.9790 23.96572 103.4984 26.11644 10.48061       35.44607 
1 1 1 -22 2  39 o 136.9524 15.03451 591.9447       118.7731 530.4656       167.1608 654.6296       168.7921 123.2050 23.99743 139.4380 21.31643 -16.23302      32.09778 
1 1 1 -22 2  40 o 72.68584 23.86356 185.4585       117.5296 170.6701       170.1660 198.9480       162.5213 72.01519 28.02759 75.11499 27.81104 -3.099800      39.48417 
1 1 1 -22 2  41 o 187.7195 12.65933 1094.088       138.5553 1043.780       199.7513 1140.737       192.3518 176.7415 19.59994 186.8188 17.76972 -10.07726      26.45601 
1 1 1 -22 2  42 o 116.1848 19.94999 460.1367       131.0432 413.3603       187.5920 504.7167       183.1347 101.1341 29.68848 114.6654 27.57252 -13.53132      40.51727 
1 1 1 -22 2  43 f 69.29726 24.84425 172.3354       128.2123 54.49231       179.9048 293.9597       182.7683 60.04907 26.41064 84.66529 29.73054 -24.61622      39.76716 
1 1 1 -22 2  44 o 86.58344 24.24115 281.8518       127.9456 92.06340       438.5877 299.5055       133.7639 75.88521 36.08922 88.89188 24.74915 -13.00667      43.76017 
1 1 1 -22 3  1  o 370.4867 12.73952 4052.154       276.3947 4326.306       443.5630 3878.138       353.3901 381.0140 19.91933 361.5581 16.71098 19.45587       26.00071 
1 1 1 -22 3  2  o 570.7943 13.07389 9610.301       437.6580 9727.551       735.5558 9546.041       544.5380 570.7973 22.01396 567.7080 16.37218 3.089294       27.43470 
1 1 1 -22 3  3  o 183.4277 18.47065 1008.040       195.9971 663.8912       296.1241 1276.341       261.4641 144.6087 35.24295 205.7883 22.00528 -61.17963      41.54874 
1 1 1 -22 3  4  o 295.6374 15.53149 2591.683       268.3471 2586.267       345.6815 2599.896       425.6889 294.2186 20.15518 293.5631 24.96173 0.6554565      32.08300 
1 1 1 -22 3  5  o 570.3621 15.69667 9630.776       524.5605 10075.23       747.7787 9200.164       736.0416 580.7504 21.99473 554.5995 22.67719 26.15082       31.59151 
1 1 1 -22 3  6  o 57.89078 25.27036 -27.75965      161.9626 -22.83247      219.1410 -33.69098      240.4367 68.13905 29.57318 70.64863 30.81540 -2.509575      42.71021 
1 1 1 -22 3  7  o 168.0641 18.90240 849.4711       183.0860 1043.100       222.1928 439.9513       323.1336 186.0208 20.71774 120.5068 39.56905 65.51404       44.66469 
1 1 1 -22 3  8  o 476.8444 10.50690 6696.110       293.8340 6718.850       411.3527 6672.419       419.8660 476.4533 14.73894 474.6936 15.10079 1.759674       21.10142 
1 1 1 -22 3  9  o 347.8079 10.32994 3565.465       210.4778 3660.279       293.2247 3464.687       302.3040 351.6039 14.24941 341.8585 15.11549 9.745392       20.77315 
1 1 1 -22 3  10 o 200.0318 13.69009 1187.776       159.6356 1172.420       215.2365 1206.551       237.9925 197.6704 18.79200 200.1097 20.57158 -2.439316      27.86268 
1 1 1 -22 3  11 o 299.9599 10.27516 2653.483       180.4930 2629.929       252.5347 2678.080       258.0667 297.7880 14.50345 300.4647 14.68947 -2.676636      20.64294 
1 1 1 -22 3  12 o 280.1023 10.67276 2315.737       175.0043 2542.222       243.5083 2073.794       251.6809 292.7764 14.22423 263.8675 16.34372 28.90891       21.66669 
1 1 1 -22 3  13 o 162.5508 15.33981 789.9799       144.5084 918.1764       194.0342 630.3120       216.5455 174.4467 19.28726 142.0888 26.97222 32.35788       33.15870 
1 1 1 -22 3  14 o 287.7132 10.49553 2443.325       176.8016 2689.157       248.6099 2191.772       251.4854 301.0810 14.11873 271.3216 15.87373 29.75943       21.24415 
1 1 1 -22 3  15 o 267.7707 11.06675 2118.743       173.4189 2096.257       237.7661 2144.302       253.4913 265.4118 15.34029 268.2251 16.18973 -2.813293      22.30318 
1 1 1 -22 3  16 o 291.7558 12.53953 2520.200       214.0603 2670.341       284.0725 2322.934       325.6161 299.3807 16.23992 277.9807 20.10881 21.40002       25.84762 
1 1 1 -22 3  17 o 280.8824 12.67797 2336.893       208.3069 2340.870       279.0346 2331.887       313.0763 279.9887 17.07406 278.7682 19.26800 1.220459       25.74450 
1 1 1 -22 3  18 o 185.6305 13.29157 1024.526       143.7449 887.7678       194.9798 1187.352       212.7531 171.2488 19.77678 198.7116 18.46721 -27.46274      27.05843 
1 1 1 -22 3  19 o 192.5656 12.90058 1101.245       144.8525 1123.993       197.8302 1074.953       212.6795 193.5141 17.62448 188.7241 19.49564 4.790009       26.28122 
1 1 1 -22 3  20 o 184.0453 14.06345 1008.811       150.6487 1080.806       206.4179 926.7600       220.3642 189.4195 18.83023 174.3816 22.03848 15.03790       28.98745 
1 1 1 -22 3  21 o 153.8780 16.38668 711.4976       145.6107 861.2576       199.6816 541.4261       212.7923 168.3719 20.65382 130.8353 28.53724 37.53662       35.22718 
1 1 1 -22 3  22 o 103.4565 23.22293 334.9772       137.4401 249.9281       184.5801 440.8110       205.9026 91.36992 29.90048 117.6315 29.81286 -26.26158      42.22375 
1 1 1 -22 3  23 o 216.7617 11.71874 1392.526       148.4213 1326.465       204.4289 1466.164       215.8340 210.3895 16.70495 221.2387 16.75910 -10.84917      23.66269 
1 1 1 -22 3  24 o 278.4728 10.16307 2291.490       165.7025 2193.620       227.3715 2402.349       241.9885 271.4245 14.33438 284.0051 14.57718 -12.58057      20.44428 
1 1 1 -22 3  25 o 248.3301 10.41002 1824.622       151.2751 1777.158       214.7356 1871.384       213.1437 243.8776 15.08736 250.4357 14.57493 -6.558121      20.97754 
1 1 1 -22 3  26 o 363.9502 9.736612 3914.577       207.6395 4020.334       298.7720 3815.778       288.7763 367.3712 13.89209 357.9342 13.78225 9.436920       19.56886 
1 1 1 -22 3  27 o 236.0513 10.38070 1651.299       143.3574 1801.580       202.7846 1501.156       202.6913 245.4949 14.14440 223.5658 15.55595 21.92911       21.02503 
1 1 1 -22 3  28 o 243.3259 10.84301 1757.307       154.3464 2012.865       204.4892 1418.950       235.2961 259.6214 13.47623 215.9547 18.76418 43.66673       23.10202 
1 1 1 -22 3  29 o 133.8652 16.37775 545.9456       125.9049 480.2761       167.3385 631.6232       191.1384 122.8524 24.08661 141.4063 23.89846 -18.55386      33.93084 
1 1 1 -22 3  30 o 346.8493 11.86142 3583.554       240.9286 3588.447       337.6908 3578.481       343.8415 344.4301 16.76774 343.7346 17.11007 0.6955261      23.95645 
1 1 1 -22 3  31 o 47.11242 20.78593 -23.02219      112.2543 80.00139       158.2457 -127.3738      159.2624 65.97060 26.58981 48.77058 22.73770 17.20002       34.98602 
1 1 1 -22 3  32 f 120.3952 16.17145 447.5359       111.3000 359.2550       154.4614 542.8745       160.5171 104.1261 25.50015 130.3860 21.75755 -26.25986      33.52087 
1 1 1 -22 3  33 o 142.5861 13.89243 620.3604       114.7017 559.9115       155.7195 692.0596       169.5924 132.3115 20.74932 147.7061 20.09840 -15.39459      28.88737 
1 1 1 -22 3  34 o 123.5346 15.31057 473.2491       108.5528 506.9717       148.9732 435.0736       158.5034 125.0866 21.05402 113.8566 24.46641 11.22998       32.27812 
1 1 1 -22 3  35 o 67.18990 22.68697 142.6774       106.0752 140.8700       144.8883 144.7652       155.7230 69.65462 26.16557 71.01817 27.02480 -1.363541      37.61618 
1 1 1 -22 3  36 f 100.9138 19.47068 332.3981       111.0594 198.2366       158.4497 461.9595       155.7096 77.58134 27.64097 116.9604 23.51615 -39.37904      36.29094 
1 1 1 -22 3  37 o 160.1202 12.46546 785.0690       116.1374 838.3255       161.9788 728.7272       166.6049 162.4405 17.26675 149.8706 19.41034 12.56995       25.97888 
1 1 1 -22 3  38 o 102.1097 18.55380 342.1836       107.0180 394.1839       147.0829 283.6846       156.0032 106.1002 24.17775 88.17696 27.33963 17.92323       36.49684 
1 1 1 -22 3  39 o 102.8560 19.70204 353.7420       114.5222 329.1583       165.8232 376.1606       158.3525 93.69852 28.01693 101.4445 26.37454 -7.745949      38.47811 
1 1 1 -22 3  40 o 105.9195 19.89849 378.5280       119.0706 379.6890       173.6550 377.4979       163.5788 99.51487 28.37317 100.2449 27.15632 -0.7300186     39.27471 
1 1 1 -22 3  41 o 117.8582 19.51208 467.9964       130.1546 414.4208       181.5359 524.6669       186.7057 102.7105 28.91739 117.6329 27.55009 -14.92240      39.94024 
1 1 1 -22 3  42 o 136.2617 16.37960 603.3071       128.2751 697.9196       181.2625 508.3896       181.5545 140.7959 22.72529 115.3934 27.26328 25.40249       35.49261 
1 1 1 -22 3  43 o 105.3787 19.24139 379.2400       114.5354 152.9527       408.0468 398.5935       119.3328 77.84309 36.32613 107.8171 19.59368 -29.97399      41.27348 
1 1 1 -22 3  44 o 192.6046 12.49200 1159.778       140.3460 701.4112       438.0717 1212.205       148.1549 103.0988 43.16550 196.4955 12.92803 -93.39668      45.05990 
1 1 1 -22 4  1  o 221.3063 16.45042 1457.514       211.9845 1590.717       320.7549 1354.216       282.4651 229.3778 24.20829 211.7438 23.12121 17.63402       33.47584 
1 1 1 -22 4  2  o 339.0031 14.95994 3402.924       296.6971 3720.298       391.8771 2976.637       454.1664 353.4691 18.97328 314.3000 24.84067 39.16904       31.25770 
1 1 1 -22 4  3  o 387.8328 14.38039 4448.996       326.5223 5115.763       455.8957 3746.705       467.8823 414.6842 18.79437 353.5534 22.68447 61.13080       29.45867 
1 1 1 -22 4  4  o 286.9161 17.18824 2447.991       287.8997 0.000000       0.000000 2447.991       287.8997 ?        ?        286.9161 17.18824 0.000000       17.18824 
1 1 1 -22 4  5  o 425.7936 11.75912 5347.249       293.3650 4947.018       453.4128 5635.443       384.7526 407.6272 19.01862 436.3281 15.05807 -28.70093      24.25805 
1 1 1 -22 4  6  o 234.9252 13.38983 1634.358       183.7186 1682.214       249.9917 1578.163       270.9008 237.4077 18.09101 229.3671 20.34955 8.040649       27.22846 
1 1 1 -22 4  7  o 619.4474 11.72579 11311.11       425.9876 10980.21       583.6769 11688.25       623.1317 608.6003 16.36757 627.6874 16.94272 -19.08716      23.55745 
1 1 1 -22 4  8  o 194.8644 14.54046 1128.789       164.9754 1158.169       221.6574 1092.301       247.0185 196.3545 19.50587 189.8472 22.63084 6.507385       29.87697 
1 1 1 -22 4  9  o 181.1045 14.86257 976.6960       156.4729 843.6609       205.5985 1159.819       241.2170 166.7683 21.52245 195.9946 21.32882 -29.22630      30.30074 
1 1 1 -22 4  10 o 49.79522 22.44441 -66.98631      138.3877 13.53762       178.9260 -186.8717      218.3203 64.40894 27.30957 57.40697 26.71633 7.001968       38.20438 
1 1 1 -22 4  11 o 267.0459 11.04536 2105.882       172.6148 2334.184       240.6691 1864.022       247.7116 280.4417 14.68395 249.9942 16.99637 30.44754       22.46096 
1 1 1 -22 4  12 o 282.1332 10.54292 2349.172       174.1409 2372.682       238.7809 2322.462       254.5165 282.7547 14.44712 279.4648 15.59061 3.289856       21.25527 
1 1 1 -22 4  13 o 99.64784 23.86800 310.5134       137.6491 315.6667       181.6546 303.5644       210.9425 100.5760 29.12743 99.92131 31.90359 0.6547089      43.20007 
1 1 1 -22 4  14 o 253.2445 12.22961 1898.427       181.0995 1843.537       225.1940 1998.912       304.6930 248.8372 15.50797 257.7951 20.31699 -8.957901      25.55929 
1 1 1 -22 4  15 o 297.5616 9.999183 2612.166       174.2507 2612.570       241.1455 2611.724       252.0730 296.7551 13.89434 296.5449 14.53821 0.2102661      20.11001 
1 1 1 -22 4  16 o 861.7448 21.36921 22273.71       1079.985 20958.66       1470.360 23814.34       1591.478 826.0421 30.40274 879.9453 30.88648 -53.90314      43.33937 
1 1 1 -22 4  17 o 391.2672 16.09835 4555.211       368.6181 4775.952       546.2776 4370.677       499.4708 397.4156 23.54336 380.6382 22.47421 16.77740       32.54812 
1 1 1 -22 4  18 o 38.06238 18.33977 -183.0025      121.6410 -156.9640      164.1638 -214.7044      181.1390 48.85665 22.87807 49.01122 23.27536 -0.1545715     32.63661 
1 1 1 -22 4  19 o 103.3573 22.87113 333.4398       134.9639 367.4270       180.4763 290.3174       203.2894 107.8347 28.21655 97.73452 31.33142 10.10020       42.16434 
1 1 1 -22 4  20 o 206.8401 13.03983 1270.171       157.3770 1065.039       209.9212 1533.423       237.8075 187.8870 19.32590 226.1375 18.08144 -38.25047      26.46561 
1 1 1 -22 4  21 o 222.0647 12.24632 1461.561       158.8733 1604.528       215.6666 1291.916       234.9288 231.8702 15.95672 206.9871 19.58570 24.88310       25.26295 
1 1 1 -22 4  22 o 71.26329 24.74200 140.2426       126.3727 219.2677       163.0558 21.37465       199.9796 85.86999 28.10322 68.14707 28.88209 17.72292       40.29846 
1 1 1 -22 4  23 o 423.1440 9.903249 5280.295       245.7630 5315.539       344.4747 5243.758       350.7324 423.1761 13.89874 420.1748 14.25360 3.001282       19.90829 
1 1 1 -22 4  24 o 188.1451 12.81908 1053.404       140.6043 1037.939       192.9835 1070.901       205.2742 185.4571 17.96780 188.1394 18.85785 -2.682281      26.04728 
1 1 1 -22 4  25 o 409.8784 9.707518 4958.149       233.3532 5092.258       334.8407 4831.509       325.3849 413.8074 13.81653 403.0751 13.78480 10.73236       19.51710 
1 1 1 -22 4  26 f 226.2132 10.84594 1517.389       143.4725 1525.683       196.0161 1507.818       210.5657 225.7347 14.88933 224.0026 16.13631 1.732040       21.95615 
1 1 1 -22 4  27 o 189.9542 12.76849 1076.855       141.4194 1136.611       178.6131 976.4532       231.5210 194.2921 15.81157 177.4895 22.76517 16.80260       27.71748 
1 1 1 -22 4  28 o 88.82127 21.61932 249.9531       111.5409 306.7552       149.3914 178.3993       167.6718 97.70553 25.72293 79.59858 28.42584 18.10695       38.33663 
1 1 1 -22 4  29 o 406.2706 9.581815 4882.131       228.3041 4822.604       324.4906 4940.484       321.2749 401.7115 13.79374 406.7648 13.48602 -5.053284      19.29093 
1 1 1 -22 4  30 o 154.4621 13.79598 719.0438       123.6613 652.4660       169.1107 795.5577       181.2910 144.7418 20.49424 160.4016 19.68372 -15.65981      28.41589 
1 1 1 -22 4  31 o 112.8751 20.18432 401.9783       128.7122 261.5169       179.8533 549.4399       184.2804 90.17791 29.51543 130.2784 25.02818 -40.10049      38.69846 
1 1 1 -22 4  32 o 42.47845 19.42559 -61.52061      108.3782 30.20041       149.5173 -163.0644      157.3199 58.97714 24.98368 45.96621 21.78904 13.01093       33.15036 
1 1 1 -22 4  33 f 301.7138 9.279353 2710.629       164.0011 2631.944       228.1748 2794.719       235.8824 294.9976 13.22221 303.9701 13.26358 -8.972534      18.72830 
1 1 1 -22 4  34 o 52.89119 20.99424 57.46439       97.12298 86.80839       134.0514 25.04066       140.9104 62.07249 24.65623 56.28145 24.06133 5.791042       34.45109 
1 1 1 -22 4  35 o 52.03332 21.34178 44.24529       104.0665 -70.52117      138.6766 192.1861       157.4489 47.48018 21.80984 77.14746 27.54619 -29.66728      35.13491 
1 1 1 -22 4  36 o 39.34074 18.25960 -70.70276      100.9290 -107.4084      135.5593 -25.04668      151.1862 44.14994 20.71101 52.93927 23.69230 -8.789330      31.46857 
1 1 1 -22 4  37 o 225.5056 10.16385 1532.974       134.0752 1806.499       193.8206 1281.985       185.6643 242.1902 13.70149 202.3255 15.77137 39.86465       20.89179 
1 1 1 -22 4  38 o 77.78436 22.61039 208.9631       109.2768 226.9478       148.5989 187.7836       161.2577 79.92933 26.85155 74.83994 27.70390 5.089394       38.58123 
1 1 1 -22 4  39 o 108.5457 19.35466 391.7552       118.6914 347.4751       172.3640 431.6869       163.6823 95.79337 28.54525 109.1675 25.94916 -13.37412      38.57707 
1 1 1 -22 4  40 o 100.9383 21.04246 349.9994       120.5245 387.7851       170.7046 312.4407       170.1913 100.9125 27.90662 90.04503 28.64627 10.86749       39.99235 
1 1 1 -22 4  41 o 115.7996 19.45695 452.1700       127.4581 259.1821       178.5129 652.8703       182.0449 81.77456 29.31565 135.5403 23.76740 -53.76571      37.73986 
1 1 1 -22 4  42 o 78.89993 23.41290 226.7680       116.1473 318.8305       369.9936 216.7040       122.3310 86.10033 37.87157 76.82455 24.26794 9.275780       44.97987 
1 1 1 -22 4  43 o 57.71435 23.54692 86.98160       125.8521 927.0685       400.9881 -4.813319      132.5497 124.4111 44.00697 49.35308 22.12835 75.05801       49.25726 
1 1 1 -22 4  44 o 63.89058 24.57744 135.5577       129.7217 -254.4608      422.0978 176.2368       136.3189 65.29706 32.05478 69.60189 25.52234 -4.304832      40.97436 
1 1 1 -22 5  1  o 317.6393 12.56673 2979.888       233.6410 2874.430       353.7298 3061.502       311.1812 310.3894 19.53087 321.1258 16.57908 -10.73642      25.61876 
1 1 1 -22 5  2  o 383.0325 23.11555 4399.686       516.8498 0.000000       0.000000 4399.686       516.8498 ?        ?        383.0325 23.11555 0.000000       23.11555 
1 1 1 -22 5  3  o 221.4255 15.00308 1455.915       193.6808 943.1730       269.0250 2007.633       279.0626 175.1563 27.05997 259.4279 18.46212 -84.27167      32.75808 
1 1 1 -22 5  4  o 471.9025 11.88893 6568.143       328.7756 6114.266       510.2541 6890.349       429.9171 453.1670 19.24276 482.4635 15.21293 -29.29651      24.52992 
1 1 1 -22 5  5  o 313.9862 12.18920 2911.282       224.0322 2584.471       328.2117 3196.386       306.5546 294.2808 19.12050 328.2199 15.97344 -33.93912      24.91475 
1 1 1 -22 5  6  o 512.0959 12.25306 7733.953       367.9989 8297.024       623.4963 7432.944       455.8709 527.4742 20.19226 500.9328 15.53593 26.54144       25.47729 
1 1 1 -22 5  7  o 103.7881 25.38171 336.3347       153.1922 460.8590       199.8114 158.7588       238.6080 121.1212 28.59101 86.32175 33.29966 34.79949       43.88978 
1 1 1 -22 5  8  o 312.5907 10.74809 2881.905       196.7484 2559.238       260.6726 3309.070       299.9274 293.6907 15.18560 334.0120 15.35206 -40.32123      21.59370 
1 1 1 -22 5  9  o 255.9659 11.15081 1934.729       166.9920 1858.633       226.0712 2026.110       247.7380 250.0576 15.49147 260.9444 16.26897 -10.88684      22.46475 
1 1 1 -22 5  10 o 385.1284 9.979980 4370.925       225.2266 4271.979       308.2436 4484.259       329.8946 379.8736 13.85904 389.0409 14.48399 -9.167328      20.04642 
1 1 1 -22 5  11 o 329.6383 9.977052 3203.427       192.6594 3061.462       256.2053 3388.167       292.2651 321.5021 13.61879 337.9570 14.78144 -16.45490      20.09882 
1 1 1 -22 5  12 o 136.9529 17.96642 567.2372       140.8289 532.6342       182.5037 618.1675       221.4126 130.9674 24.66533 140.4468 27.86460 -9.479446      37.21310 
1 1 1 -22 5  13 o 397.1169 10.00345 4649.211       232.7946 4555.780       321.8020 4751.785       337.1785 392.0974 14.01663 400.3432 14.38412 -8.245880      20.08404 
1 1 1 -22 5  14 o 387.1184 9.660733 4414.423       219.3332 4341.580       300.2823 4497.734       321.1346 382.8874 13.39299 389.5201 14.08062 -6.632690      19.43286 
1 1 1 -22 5  15 o 104.2611 21.82748 337.8457       129.1799 299.8051       166.6358 395.1381       204.4999 97.89692 27.75470 111.6689 30.41089 -13.77197      41.17215 
1 1 1 -22 5  16 o 196.4975 15.00300 1151.438       171.5889 1048.938       216.2097 1325.843       282.0284 186.2356 20.11403 208.5712 23.46271 -22.33566      30.90425 
1 1 1 -22 5  17 o 469.4143 10.07599 6494.505       277.3925 6442.579       387.6018 6549.023       397.1570 466.1603 14.19405 469.9138 14.42807 -3.753510      20.23957 
1 1 1 -22 5  18 o 341.1365 9.862337 3432.045       197.1072 3450.638       270.6451 3411.043       287.6332 341.2020 13.55198 338.9738 14.50198 2.228241       19.84851 
1 1 1 -22 5  19 o 62.14621 24.47812 69.84024       131.0999 2.580413       171.0267 165.6716       204.1454 61.89612 26.48606 82.87001 31.07365 -20.97389      40.82993 
1 1 1 -22 5  20 o 222.8726 15.79103 1481.969       205.0672 1461.617       240.8185 1535.657       391.1362 220.5458 18.79730 221.7542 30.91421 -1.208328      36.18047 
1 1 1 -22 5  21 o 318.0471 10.27849 2985.605       191.4700 3196.846       265.9780 2758.392       275.8507 328.2609 13.84690 304.4231 15.50165 23.83774       20.78552 
1 1 1 -22 5  22 o 50.04959 21.84178 -19.72529      120.9263 -15.54976      150.6470 -27.29025      202.7722 56.48130 24.51663 64.66017 28.24934 -8.178875      37.40442 
1 1 1 -22 5  23 o 210.7177 12.04336 1317.391       148.2132 1226.693       194.6001 1442.681       228.7195 202.2523 16.55047 219.0295 17.96302 -16.77715      24.42515 
1 1 1 -22 5  24 o 178.9638 12.95413 954.0123       135.0438 762.3534       178.8655 1208.101       205.9466 158.1679 19.70866 200.2472 17.71896 -42.07935      26.50269 
1 1 1 -22 5  25 o 109.3151 19.92048 370.4596       123.0078 277.0070       160.3730 504.0019       191.7101 93.68198 27.43644 125.8149 26.80255 -32.13297      38.35538 
1 1 1 -22 5  26 o 220.5140 10.98841 1442.696       141.6612 1346.219       191.3187 1559.787       210.7691 211.7649 15.51231 227.9041 15.86812 -16.13921      22.19074 
1 1 1 -22 5  27 o 250.5454 11.27725 1863.884       165.2820 2046.593       214.0820 1594.274       260.0566 261.6990 13.99944 228.7931 19.56862 32.90591       24.06066 
1 1 1 -22 5  28 o 261.8825 11.60909 2039.034       177.8585 2213.624       244.4806 1842.748       259.2265 271.4884 15.41813 246.5321 18.05416 24.95628       23.74176 
1 1 1 -22 5  29 o 176.3650 15.48655 939.8431       158.5587 821.3811       173.5975 1536.060       389.4540 163.7873 18.38955 217.1129 31.50497 -53.32564      36.47929 
1 1 1 -22 5  30 o 324.5923 11.51166 3137.753       218.7955 3096.303       299.6098 3185.116       320.2695 320.1572 16.00744 324.1845 16.90346 -4.027344      23.28015 
1 1 1 -22 5  31 o 139.4731 14.84775 592.0419       119.5865 645.9892       163.2757 529.6132       175.6423 143.7789 19.89573 128.0664 24.27349 15.71252       31.38538 
1 1 1 -22 5  32 o 194.3813 11.09686 1131.680       125.9786 1060.804       177.1302 1204.229       179.2093 185.8796 16.41696 198.5932 15.50963 -12.71356      22.58462 
1 1 1 -22 5  33 o 58.85995 22.27469 88.14301       105.4386 142.6878       141.2402 19.48069       158.4677 70.40128 25.95121 58.82162 25.33753 11.57966       36.26921 
1 1 1 -22 5  34 o 94.31535 20.09116 289.9804       107.7264 200.9856       149.3353 386.5377       155.5509 78.48712 26.91154 106.5923 25.26969 -28.10522      36.91596 
1 1 1 -22 5  35 o 77.51517 22.06236 200.4189       105.0869 204.6885       144.4974 195.6254       153.1067 78.37392 26.47885 77.36172 27.20767 1.012207       37.96560 
1 1 1 -22 5  36 o 153.0319 13.16508 718.7540       117.0087 696.3102       162.8586 742.7005       168.2223 146.9395 19.36950 151.8397 19.32816 -4.900177      27.36339 
1 1 1 -22 5  37 o 192.1000 11.25968 1120.856       126.2977 1052.965       177.9604 1189.750       179.2706 182.3565 16.82970 194.7203 15.83467 -12.36380      23.10791 
1 1 1 -22 5  38 f 65.52536 22.59709 139.9631       105.3377 82.27164       141.0251 212.7727       158.4291 60.70042 24.86444 77.94384 27.65262 -17.24342      37.18747 
1 1 1 -22 5  39 o 183.6051 12.19462 1036.643       130.5676 974.5791       193.8903 1088.142       176.6169 171.9354 19.57656 184.6785 16.47963 -12.74316      25.58945 
1 1 1 -22 5  40 o 100.5544 21.44306 349.7257       122.5933 421.9668       188.1286 296.4082       161.6210 103.7708 29.51393 88.14697 27.90048 15.62387       40.61414 
1 1 1 -22 5  41 o 200.0090 14.87072 1269.327       173.1863 1911.038       391.0388 1112.741       193.1638 220.4497 31.10919 183.8704 18.14922 36.57925       36.01633 
1 1 1 -22 5  42 o 105.4102 20.75988 385.2058       123.7701 669.1105       387.1626 352.8883       130.6248 107.9292 42.19815 99.07876 22.93369 8.850471       48.02747 
1 1 1 -22 5  43 o 111.3607 18.83837 420.8989       118.6513 689.5317       397.3241 394.5974       124.3242 106.1349 42.35319 106.3029 20.68625 -0.1679764     47.13506 
1 1 1 -22 5  44 o 102.6350 22.84022 382.9947       133.9400 444.5687       424.3263 376.1807       141.1567 89.56657 39.91461 100.3986 24.24837 -10.83205      46.70288 
1 1 1 -22 6  1  o 250.7930 14.08981 1863.551       206.4055 1786.162       294.7770 1937.993       289.1084 244.0307 20.79466 254.5894 19.51156 -10.55878      28.51524 
1 1 1 -22 6  2  o 384.6191 11.65259 4363.602       262.5444 3614.326       383.7897 5022.662       359.9440 348.3091 18.85822 411.9095 14.92454 -63.60043      24.04942 
1 1 1 -22 6  3  o 801.3500 19.74334 19103.93       927.8833 19400.36       1303.857 18799.78       1320.756 801.5085 27.77975 788.2941 28.61575 13.21442       39.88203 
1 1 1 -22 6  4  o 454.8319 11.81119 6102.242       314.7949 5630.013       477.9813 6463.963       418.3321 434.8975 18.78446 467.2053 15.28791 -32.30774      24.21934 
1 1 1 -22 6  5  o 335.1644 11.59530 3314.955       227.5808 3027.146       330.3021 3575.075       314.0112 318.9076 17.73000 347.2461 15.45778 -28.33850      23.52225 
1 1 1 -22 6  6  o 68.04717 26.50984 89.27709       152.3561 -73.60097      198.8485 320.8250       237.0890 61.01580 27.24867 103.6730 33.88527 -42.65724      43.48220 
1 1 1 -22 6  7  o 189.6427 15.60376 1071.824       172.0126 1143.447       236.7165 991.6919       250.3835 194.6778 21.06830 180.2838 24.29902 14.39398       32.16078 
1 1 1 -22 6  8  o 273.4758 11.19041 2208.013       179.1006 2201.333       235.5397 2217.170       275.7626 272.3741 14.80071 272.7650 17.32795 -0.3908997     22.78857 
1 1 1 -22 6  9  o 82.64363 26.21581 203.7248       142.6240 197.3416       176.6626 215.6723       241.6916 84.29002 29.25430 92.15474 33.95149 -7.864723      44.81649 
1 1 1 -22 6  10 o 158.6342 15.35266 752.3213       141.0506 826.6898       186.2202 652.2325       216.0354 165.4211 19.57366 144.8666 26.40003 20.55452       32.86472 
1 1 1 -22 6  11 o 179.0671 13.84606 953.9769       144.2806 897.5968       180.6231 1053.374       239.8260 172.7724 18.09382 186.1667 22.41617 -13.39438      28.80748 
1 1 1 -22 6  12 o 131.0448 18.08791 520.4283       135.3106 542.2624       170.3494 483.1023       222.7300 132.6640 22.71076 123.2943 30.87408 9.369728       38.32737 
1 1 1 -22 6  13 o 312.6569 10.30030 2884.148       188.6144 2670.215       255.6178 3139.842       279.4556 299.8974 14.57708 325.2276 14.68917 -25.33017      20.69452 
1 1 1 -22 6  14 o 328.1718 9.852308 3176.004       189.4077 3195.860       260.9927 3153.910       275.3061 328.3662 13.58182 325.9752 14.43641 2.391022       19.82110 
1 1 1 -22 6  15 o 259.0873 12.16325 1987.156       184.3030 2095.565       225.8794 1771.230       318.7844 265.5415 14.55991 241.6884 22.75793 23.85304       27.01693 
1 1 1 -22 6  16 o 592.3536 11.12012 10353.22       386.3145 10413.04       547.5115 10293.92       545.1584 592.0067 15.78351 588.5973 15.80692 3.409424       22.33782 
1 1 1 -22 6  17 o 258.6693 13.01174 1983.604       196.7587 2102.798       250.1004 1790.013       318.7347 265.5848 16.13296 242.9949 22.62564 22.58983       27.78834 
1 1 1 -22 6  18 o 98.44470 23.55070 303.3593       134.1435 363.1649       170.4146 205.9389       217.5007 107.2957 27.08337 88.59789 32.27754 18.69783       42.13489 
1 1 1 -22 6  19 o 118.0636 21.21853 429.8361       141.5200 623.9667       187.4364 172.4271       215.8334 142.2599 23.26949 84.80455 31.91857 57.45532       39.50018 
1 1 1 -22 6  20 o 243.1864 12.76562 1753.276       181.4296 1823.519       221.3135 1609.333       316.8133 247.4372 15.32602 229.8388 23.84962 17.59840       28.34945 
1 1 1 -22 6  21 o 54.39198 22.98035 11.88938       125.9471 59.73843       156.1993 -77.03419      212.9369 64.96661 26.33377 62.83659 28.11992 2.130016       38.52528 
1 1 1 -22 6  22 o 122.9277 19.05842 462.0404       132.9550 537.4428       170.0752 343.5461       213.2050 131.7427 22.83960 104.6604 31.87271 27.08229       39.21118 
1 1 1 -22 6  23 o 96.95937 22.23615 294.6726       123.7459 247.3906       157.4301 371.1184       200.1780 89.47657 27.41545 107.8978 30.36168 -18.42126      40.90769 
1 1 1 -22 6  24 o 126.6348 16.80573 486.7433       121.7350 578.6711       159.6160 358.9208       188.2160 137.2473 20.45369 105.9875 29.30036 31.25986       35.73324 
1 1 1 -22 6  25 o 337.5237 11.72859 3377.906       231.8143 3274.459       306.5776 3516.011       354.2314 330.8049 15.84831 341.9680 17.72292 -11.16318      23.77543 
1 1 1 -22 6  26 o 274.8459 10.16897 2236.150       163.6317 2232.966       227.1002 2239.588       235.9751 273.4318 14.21055 273.6435 14.75844 -0.2116699     20.48783 
1 1 1 -22 6  27 o 212.0512 13.35437 1343.534       165.2356 1205.858       185.9266 1860.871       360.4127 200.0363 15.98108 244.1400 25.54948 -44.10368      30.13588 
1 1 1 -22 6  28 f 275.2247 9.906950 2243.760       159.6500 2098.728       220.9753 2402.126       230.9106 264.7326 14.28557 283.4109 13.93510 -18.67834      19.95657 
1 1 1 -22 6  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 6  30 o 318.9568 9.597075 3016.521       179.3193 2999.260       256.1003 3033.122       251.1633 316.1646 13.84524 318.1285 13.49243 -1.963959      19.33227 
1 1 1 -22 6  31 o 195.5234 11.26401 1143.004       128.6175 1245.891       183.2600 1043.132       180.5555 202.4395 15.55471 184.5582 16.86745 17.88130       22.94472 
1 1 1 -22 6  32 o 192.6106 11.29318 1112.688       127.0098 1145.850       179.7281 1079.605       179.5101 193.3424 15.99327 187.3742 16.50385 5.968201       22.98177 
1 1 1 -22 6  33 o 131.6025 15.31037 535.1020       115.9644 549.4639       163.4218 520.5355       164.5813 129.9272 22.24621 125.8927 23.14358 4.034538       32.10170 
1 1 1 -22 6  34 o 100.8243 18.53307 326.3000       105.5509 389.5476       147.8827 260.6194       150.7002 107.5618 24.04745 87.21388 26.84169 20.34792       36.03825 
1 1 1 -22 6  35 o 42.10642 19.23138 -51.97918      105.7880 10.16127       142.0316 -129.4039      158.5396 54.63963 23.76042 47.25239 22.23890 7.387238       32.54422 
1 1 1 -22 6  36 o 130.4978 15.81533 534.9464       118.5737 466.4825       163.4139 611.0738       172.3172 116.4512 24.69419 135.3237 22.50213 -18.87248      33.40881 
1 1 1 -22 6  37 o 212.8552 11.00013 1374.198       136.8538 1483.555       194.8041 1267.632       192.3011 217.8303 15.34680 200.3087 16.51596 17.52159       22.54554 
1 1 1 -22 6  38 o 67.41122 23.10787 150.3614       110.1027 235.9448       156.1212 65.67670       155.2994 81.03560 27.52215 60.57075 25.55066 20.46485       37.55403 
1 1 1 -22 6  39 o 73.09058 23.38865 185.9549       113.3211 285.9597       184.4787 125.3516       143.6098 86.58051 29.90227 65.45935 25.66874 21.12115       39.40850 
1 1 1 -22 6  40 o 111.1936 24.37293 444.1725       154.5470 227.3133       384.8289 485.8736       168.7534 83.76307 37.61882 115.3375 25.61456 -31.57440      45.51133 
1 1 1 -22 6  41 o 47.35015 20.83799 4.988350       112.1505 -293.6457      345.7123 40.11237       118.5625 60.58041 29.58506 52.01692 22.14949 8.563488       36.95776 
1 1 1 -22 6  42 o 48.92875 21.39149 15.46716       116.4502 269.2781       381.2661 -10.64633      122.2941 83.27868 37.41925 47.44267 21.26471 35.83601       43.03938 
1 1 1 -22 6  43 o 41.83611 19.52712 -68.48431      118.0060 -474.9074      377.4690 -24.46035      124.2329 57.48990 28.59477 46.33818 21.03814 11.15171       35.50019 
1 1 1 -22 6  44 o 47.94371 21.45782 -3.477195      124.0322 -421.1887      408.8761 38.85645       130.1656 60.50428 30.03772 52.75742 22.84512 7.746864       37.73810 
1 1 1 -22 7  1  o 460.2250 12.05528 6249.377       325.1053 6357.880       512.2734 6176.206       420.6771 462.1343 18.94107 456.5356 15.73524 5.598755       24.62441 
1 1 1 -22 7  2  o 383.5203 13.39008 4347.766       300.7152 3776.571       374.4059 5386.014       504.7786 356.2510 17.97803 424.7850 20.32088 -68.53403      27.13204 
1 1 1 -22 7  3  o 495.0469 21.63879 7328.624       626.7285 0.000000       0.000000 7328.624       626.7285 ?        ?        495.0469 21.63879 0.000000       21.63879 
1 1 1 -22 7  4  o 287.4755 14.29143 2448.463       240.1946 2255.254       286.5645 2904.821       440.4144 275.0691 17.86013 310.2840 24.39816 -35.21490      30.23664 
1 1 1 -22 7  5  o 159.3956 16.66079 761.0789       153.4504 757.7962       199.5854 765.8247       239.9784 157.7867 22.17929 157.3354 26.97787 0.4512939      34.92458 
1 1 1 -22 7  6  o 279.4090 12.20606 2307.308       199.5341 2643.566       282.3652 1971.912       282.0027 298.2555 16.20341 256.8288 18.85368 41.42664       24.85984 
1 1 1 -22 7  7  o 345.0833 11.25169 3513.859       227.4108 3500.881       333.5938 3525.126       310.8267 343.1844 16.62393 344.6986 15.41446 -1.514191      22.67070 
1 1 1 -22 7  8  o 476.6212 10.40027 6692.066       290.7158 6712.194       404.0789 6670.468       418.5726 476.0993 14.48851 474.4294 15.06258 1.669891       20.89972 
1 1 1 -22 7  9  o 165.5916 15.29297 819.0042       146.8414 781.7304       183.5750 885.2222       244.6809 160.7259 19.89967 169.6669 25.36720 -8.940979      32.24115 
1 1 1 -22 7  10 o 300.3233 10.39994 2660.908       182.9003 2788.070       248.1761 2509.734       270.5957 306.7202 13.83203 290.4644 15.94582 16.25583       21.10910 
1 1 1 -22 7  11 o 260.5927 10.56399 2004.883       161.1163 2062.421       213.7264 1929.144       245.2103 263.6737 13.86982 254.3679 16.52659 9.305771       21.57545 
1 1 1 -22 7  12 o 545.7075 10.76540 8780.497       344.5409 8846.198       485.5493 8713.863       488.9774 546.0716 15.17591 541.8748 15.40211 4.196777       21.62251 
1 1 1 -22 7  13 o 166.3482 14.49045 825.7287       139.9584 984.2177       182.5826 599.9122       217.9404 181.0770 17.40694 138.1884 27.85469 42.88866       32.84639 
1 1 1 -22 7  14 f 102.0551 21.29896 323.3161       123.3542 309.0640       156.0322 347.0694       201.4361 99.21188 26.36781 105.1755 30.73412 -5.963608      40.49503 
1 1 1 -22 7  15 o 441.5132 9.827891 5743.845       254.4805 5921.048       364.6339 5575.574       355.3263 446.9792 13.92674 433.7106 13.98766 13.26859       19.73851 
1 1 1 -22 7  16 o 343.3800 11.15351 3482.728       224.3161 3757.803       277.6194 2965.395       380.7232 356.1564 13.31447 313.9744 20.79305 42.18207       24.69060 
1 1 1 -22 7  17 o 392.7993 12.64867 4565.321       291.0043 4589.322       382.5906 4532.375       448.2487 392.5461 16.65640 388.9004 19.71740 3.645782       25.81107 
1 1 1 -22 7  18 o 370.4877 10.06130 4048.325       218.4118 4260.337       306.3723 3829.224       311.4521 379.1184 13.80224 359.1020 14.82031 20.01648       20.25200 
1 1 1 -22 7  19 o 440.4285 10.31763 5718.544       266.5053 5871.770       377.6847 5566.593       376.1110 444.9129 14.49385 433.0679 14.83033 11.84500       20.73669 
1 1 1 -22 7  20 o 250.7404 11.31307 1859.476       165.9340 1713.751       219.3515 2054.432       253.7131 239.7382 15.68719 262.3353 16.57531 -22.59703      22.82167 
1 1 1 -22 7  21 o 174.2603 13.84403 905.1205       140.3233 1051.855       182.3132 691.8492       219.7955 187.2666 16.77756 148.9446 26.11345 38.32201       31.03866 
1 1 1 -22 7  22 o 269.8803 10.42442 2152.294       164.6859 2149.806       219.7549 2155.481       248.7290 268.9048 13.98247 268.7388 15.85181 0.1659546      21.13739 
1 1 1 -22 7  23 o 85.69206 23.14051 229.9953       119.0020 221.0645       147.2087 246.8383       202.1613 85.01980 26.58892 91.67574 31.31508 -6.655945      41.08047 
1 1 1 -22 7  24 o 198.7129 11.98103 1173.190       138.9789 1130.275       177.4985 1241.186       223.4245 194.1164 15.72584 202.4552 19.04058 -8.338837      24.69505 
1 1 1 -22 7  25 o 190.7073 12.03888 1082.184       133.9621 1224.267       178.9478 901.0456       202.0510 202.0441 15.21359 171.5216 20.49079 30.52254       25.52109 
1 1 1 -22 7  26 o 218.9811 11.01863 1423.401       141.0545 1322.738       189.0410 1549.841       211.8670 209.8344 15.47010 227.0317 16.01481 -17.19727      22.26653 
1 1 1 -22 7  27 o 290.5652 14.88476 2529.327       252.8053 2768.854       521.3497 2455.692       289.0636 294.3754 30.64607 285.2080 17.36376 9.167389       35.22331 
1 1 1 -22 7  28 o 234.3561 14.19097 1646.085       194.1328 1646.085       194.1328 0.000000       0.000000 234.3561 14.19097 ?        ?        0.000000       14.19097 
1 1 1 -22 7  29 o 221.9064 10.97184 1465.220       142.3478 1327.231       192.4397 1631.948       211.5327 209.5432 15.77507 232.5411 15.60081 -22.99788      22.18644 
1 1 1 -22 7  30 o 232.3272 10.89263 1607.809       148.0036 1649.868       217.8469 1571.753       201.7018 233.2701 16.02090 228.0459 15.16744 5.224182       22.06175 
1 1 1 -22 7  31 o 162.5376 12.68522 796.0333       119.9641 840.5840       165.5857 746.8174       174.0397 165.1799 17.35163 154.5622 19.64279 10.61778       26.20913 
1 1 1 -22 7  32 o 58.12941 22.34517 80.28211       107.1739 55.54871       151.6167 104.9830       151.5169 61.56181 25.55430 67.00482 26.33854 -5.443008      36.69797 
1 1 1 -22 7  33 o 106.3083 18.44190 360.1090       110.8136 316.5901       152.9608 408.1778       160.7581 96.24181 26.33851 109.8194 25.45712 -13.57763      36.63034 
1 1 1 -22 7  34 o 172.1111 12.12768 898.4269       121.6320 939.3887       176.1194 861.0739       168.1821 172.9256 17.61141 165.5102 17.59560 7.415390       24.89512 
1 1 1 -22 7  35 o 65.35242 22.55873 133.2803       104.9894 168.2822       142.0313 91.11504       155.8891 72.90205 26.14741 64.60029 26.26257 8.301765       37.05954 
1 1 1 -22 7  36 o 332.6141 10.12709 3327.116       197.3194 3326.761       311.6732 3327.354       254.9108 326.1586 16.34581 329.7644 13.20728 -3.605743      21.01470 
1 1 1 -22 7  37 o 73.71803 22.96399 185.5904       109.9205 218.4697       153.7532 151.2177       157.2065 78.97462 27.29768 70.36478 27.05918 8.609848       38.43647 
1 1 1 -22 7  38 o 122.6201 16.08942 479.6404       112.9164 410.5418       164.1612 541.6888       155.5613 106.3304 26.43702 126.4899 21.75403 -20.15955      34.23673 
1 1 1 -22 7  39 f 71.13586 23.58251 175.1147       114.6834 250.1997       171.6588 114.5831       154.1275 81.99316 28.81116 64.94173 26.21796 17.05143       38.95464 
1 1 1 -22 7  40 o 152.3098 13.28117 724.7837       117.4502 1273.805       415.1041 677.0065       122.4540 160.6270 43.15088 146.3545 14.45501 14.27249       45.50765 
1 1 1 -22 7  41 o 181.1113 12.04065 1015.346       127.1665 1410.392       380.6544 965.7188       134.9180 178.4527 37.56156 175.6957 13.18986 2.757034       39.81009 
1 1 1 -22 7  42 o 52.66443 22.07863 53.07095       114.8383 490.5478       393.7111 12.39018       120.0590 94.81840 40.36833 49.13197 21.59332 45.68642       45.78071 
1 1 1 -22 7  43 o 61.88778 23.05512 126.9373       112.0103 -234.9172      351.7128 167.7804       118.1627 61.48304 29.98535 68.32586 23.91179 -6.842823      38.35225 
1 1 1 -22 7  44 o 53.30307 22.96203 45.22147       130.1644 -90.09071      392.1517 61.97506       137.9875 67.69382 32.69457 55.88771 23.84945 11.80612       40.46889 
1 1 1 -22 8  1  f 392.7265 13.28754 4559.077       305.6043 4272.726       393.3740 4995.001       485.3567 378.9887 17.74748 408.9578 20.29979 -29.96912      26.96395 
1 1 1 -22 8  2  o 234.5932 13.40544 1630.386       183.6688 1723.712       254.2335 1528.500       265.6352 240.2343 18.17953 225.6245 20.29122 14.60985       27.24388 
1 1 1 -22 8  3  o 513.7272 12.23809 7785.010       368.7200 8155.986       604.0016 7564.634       465.5287 523.0078 19.72688 505.1942 15.73139 17.81357       25.23146 
1 1 1 -22 8  4  o 202.0654 14.33928 1213.102       168.8259 1070.017       221.2324 1412.609       261.2343 188.4246 20.34188 216.6606 20.81468 -28.23596      29.10400 
1 1 1 -22 8  5  o 357.9083 11.29869 3779.648       236.8678 3607.453       342.8654 3936.868       327.6179 348.3382 16.83292 364.3377 15.36701 -15.99954      22.79237 
1 1 1 -22 8  6  o 387.3066 11.31075 4425.997       256.6442 4341.237       375.3582 4500.408       351.6956 382.1644 16.78828 389.5264 15.42550 -7.361938      22.79895 
1 1 1 -22 8  7  o 38.89992 18.80313 -206.2880      130.3627 -206.4581      157.3704 -205.9160      232.7225 44.78309 21.38680 58.84003 27.45006 -14.05694      34.79800 
1 1 1 -22 8  8  o 263.1673 11.83813 2047.467       182.2437 2064.367       247.4743 2027.442       269.3798 263.3538 16.09980 260.5680 17.73328 2.785767       23.95147 
1 1 1 -22 8  9  o 157.0794 15.27507 737.8128       138.9440 619.5801       171.4066 964.3719       237.2737 142.4771 21.15439 177.7774 23.31907 -35.30029      31.48471 
1 1 1 -22 8  10 o 65.50533 24.67227 97.28829       129.0092 20.63208       156.0113 263.0614       229.4243 61.03864 25.67066 96.13977 33.33941 -35.10113      42.07730 
1 1 1 -22 8  11 o 180.2775 13.01996 965.5061       136.7306 1027.513       172.6780 861.2819       223.8737 185.4034 16.03823 167.7504 23.39087 17.65306       28.36120 
1 1 1 -22 8  12 o 183.0192 13.14026 995.3773       140.1041 881.5084       175.5706 1195.018       232.4737 171.2121 17.74189 198.9609 20.20287 -27.74887      26.88737 
1 1 1 -22 8  13 o 307.3710 9.909144 2786.669       178.3946 2814.589       243.3522 2754.235       262.2867 308.1440 13.49851 304.5040 14.73069 3.640076       19.98006 
1 1 1 -22 8  14 o 552.8482 14.71896 9065.354       476.8119 8997.773       648.2203 9145.026       703.8356 548.0471 20.20217 551.5636 21.80125 -3.516541      29.72242 
1 1 1 -22 8  15 o 472.5496 10.23019 6582.418       283.5186 6426.251       400.5893 6739.158       401.3234 465.3982 14.69497 476.7254 14.37050 -11.32721      20.55367 
1 1 1 -22 8  16 o 432.8503 10.01243 5521.666       254.1719 5411.669       353.6871 5639.139       365.5111 427.2329 14.13521 436.0692 14.31144 -8.836243      20.11520 
1 1 1 -22 8  17 o 431.0695 13.17731 5501.200       332.7471 5624.893       444.4231 5343.403       501.9645 434.3354 17.48273 422.0775 20.33810 12.25790       26.81947 
1 1 1 -22 8  18 o 199.5124 13.18451 1182.364       153.4063 1211.816       197.7135 1137.812       243.1726 201.1748 16.91411 193.5648 21.79953 7.609909       27.59179 
1 1 1 -22 8  19 o 248.4529 12.16897 1827.973       176.7768 1615.486       235.7306 2101.020       267.2203 232.3114 17.42901 265.1378 17.27904 -32.82642      24.54253 
1 1 1 -22 8  20 o 329.9799 10.32101 3213.850       199.4921 3420.557       278.4925 2995.999       285.9023 339.5166 14.01642 317.3147 15.40910 22.20184       20.83027 
1 1 1 -22 8  21 o 51.89274 22.29301 -3.845532      122.0479 -37.93355      151.3511 59.53426       206.3764 54.65791 24.12448 72.38203 29.90850 -17.72412      38.42537 
1 1 1 -22 8  22 o 322.3073 9.907610 3066.881       187.0569 3002.925       256.4826 3139.555       273.4042 317.9234 13.78856 324.9037 14.38394 -6.980347      19.92541 
1 1 1 -22 8  23 o 43.02678 19.99954 -103.5262      121.7609 37.22464       152.7248 -349.0483      201.7110 61.78123 25.64664 46.69424 22.75851 15.08699       34.28848 
1 1 1 -22 8  24 o 194.4576 12.29252 1124.925       139.4723 1248.708       183.7955 956.8719       214.1541 204.0935 15.47041 176.7791 21.07017 27.31442       26.13974 
1 1 1 -22 8  25 o 161.0694 13.78022 777.2478       128.9232 646.1307       171.8786 945.9118       194.9412 144.7084 20.85360 176.1767 19.17616 -31.46831      28.33015 
1 1 1 -22 8  26 o 200.7969 11.82562 1199.983       138.6451 1535.572       196.7494 868.9653       195.4051 226.3014 14.90738 168.2455 20.20744 58.05589       25.11116 
1 1 1 -22 8  27 o 226.4627 10.72191 1522.406       141.9987 1417.226       197.0561 1636.016       204.8008 217.0072 15.58719 233.4315 15.03969 -16.42432      21.65993 
1 1 1 -22 8  28 o 121.7895 17.38741 455.5631       120.6710 432.8059       169.4294 478.9905       171.9067 115.9114 25.60739 122.3645 24.80471 -6.453117      35.65126 
1 1 1 -22 8  29 o 395.3127 12.26335 4659.975       283.9716 4922.267       398.2368 4388.641       405.0427 403.3283 16.87301 379.8147 18.23683 23.51358       24.84513 
1 1 1 -22 8  30 o 267.7293 9.968244 2129.807       156.2449 2208.619       221.4640 2051.703       220.4668 270.9435 13.98447 260.8849 14.46597 10.05862       20.12037 
1 1 1 -22 8  31 o 186.1731 11.77518 1040.365       127.9099 1153.913       183.9025 933.9590       178.0246 194.1146 16.30450 173.8396 17.70844 20.27496       24.07126 
1 1 1 -22 8  32 o 106.5321 18.34278 359.6328       110.4688 294.7824       153.7109 428.9091       158.8697 93.33184 26.72134 113.5907 24.56394 -20.25887      36.29624 
1 1 1 -22 8  33 o 34.55308 16.65668 -141.4599      100.6198 -167.7920      141.8367 -114.7826      142.7635 42.19582 20.19261 45.50343 21.31655 -3.307610      29.36216 
1 1 1 -22 8  34 o 68.44399 22.20635 150.8468       101.9204 93.87851       139.4613 216.1518       149.3173 63.25613 25.14156 80.29021 26.91578 -17.03408      36.83147 
1 1 1 -22 8  35 o 52.32255 21.51650 45.05391       106.1331 -7.628598      146.2884 103.6002       154.2149 53.62549 23.69103 65.67372 26.32564 -12.04823      35.41616 
1 1 1 -22 8  36 o 113.7011 17.01741 413.0361       109.9932 426.6029       152.8023 398.4460       158.4596 111.2896 24.10960 106.4140 25.68554 4.875572       35.22811 
1 1 1 -22 8  37 o 107.3417 17.69221 373.7752       107.5014 396.4781       160.9096 355.4731       144.4748 105.0039 26.21233 100.3027 24.72114 4.701210       36.03083 
1 1 1 -22 8  38 o 204.0106 14.81861 1304.256       176.0921 1080.948       207.5588 1877.839       332.6501 181.1164 19.86601 232.4017 24.78827 -51.28525      31.76660 
1 1 1 -22 8  39 o 79.31201 21.65412 219.3026       103.5314 722.4539       410.6528 185.1507       106.9873 115.1762 43.87207 72.81747 22.65113 42.35876       49.37440 
1 1 1 -22 8  40 o 182.7393 12.05213 1031.272       128.4443 672.4374       419.3375 1068.425       134.9298 108.6053 43.45299 185.6929 12.46189 -77.08758      45.20465 
1 1 1 -22 8  41 o 65.21164 23.19089 144.7132       111.4886 -69.51007      396.8856 163.0657       116.1661 70.79968 33.85294 68.24032 23.72014 2.559364       41.33601 
1 1 1 -22 8  42 o 143.9565 15.47038 668.6013       128.5647 633.6657       409.9266 672.4125       135.3960 102.4818 42.22960 143.6121 16.36728 -41.13026      45.29047 
1 1 1 -22 8  43 o 121.1572 18.51133 495.6397       127.3664 -116.6862      346.9326 591.0236       136.9277 64.71859 31.12988 132.8617 18.03826 -68.14315      35.97844 
1 1 1 -22 8  44 o 77.41132 25.67159 232.2490       135.8990 5.007373       320.2126 282.1709       150.0860 66.85691 31.50875 84.02407 26.91959 -17.16716      41.44231 
1 1 1 -22 9  1  o 422.6596 11.47846 5270.505       284.2645 5246.513       437.4958 5288.035       373.9610 419.9063 17.80565 422.4208 15.11929 -2.514526      23.35882 
1 1 1 -22 9  2  o 229.1277 32.54200 1633.691       425.0087 0.000000       0.000000 1633.691       425.0087 ?        ?        229.1277 32.54200 0.000000       32.54200 
1 1 1 -22 9  3  o 420.4465 11.36774 5215.255       280.0507 4769.197       407.4328 5614.733       385.5735 400.4177 17.39118 435.2603 15.12754 -34.84256      23.04985 
1 1 1 -22 9  4  o 436.7007 15.33458 5654.248       392.1317 0.000000       0.000000 5654.248       392.1317 ?        ?        436.7007 15.33458 0.000000       15.33458 
1 1 1 -22 9  5  o 375.1686 11.05367 4152.449       242.9458 4005.680       353.7169 4283.518       334.2625 367.1190 16.47046 380.0828 15.02503 -12.96381      22.29412 
1 1 1 -22 9  6  o 335.1429 11.18811 3315.255       219.5979 3338.559       309.8667 3291.741       311.2547 335.2396 15.80497 332.8244 15.99274 2.415161       22.48477 
1 1 1 -22 9  7  o 326.1530 11.14594 3140.182       212.8875 3029.675       295.9280 3258.715       306.4863 319.2703 15.85396 331.1537 15.82668 -11.88345      22.40160 
1 1 1 -22 9  8  o 255.4016 11.50827 1928.099       171.9361 1944.543       226.0438 1905.524       264.8497 255.7543 15.13791 252.4550 18.00635 3.299301       23.52414 
1 1 1 -22 9  9  o 219.8076 12.03297 1430.453       154.5277 1386.773       199.4930 1495.975       244.3324 215.6484 15.88510 223.2896 18.83329 -7.641266      24.63796 
1 1 1 -22 9  10 o 255.1138 10.55250 1921.704       157.5439 1931.971       200.0987 1904.960       255.5328 255.2577 13.41349 252.5242 17.35975 2.733459       21.93815 
1 1 1 -22 9  11 o 89.65454 22.75340 250.7256       119.8198 388.6109       143.7278 -63.44953      216.9542 111.8388 22.68948 64.54049 28.66448 47.29836       36.55769 
1 1 1 -22 9  12 o 473.8161 10.14702 6616.497       281.9675 6870.879       400.0503 6365.364       397.4866 481.4842 14.18259 463.2534 14.64872 18.23083       20.38948 
1 1 1 -22 9  13 o 515.7928 10.51188 7844.051       317.9847 8285.224       460.2843 7441.253       439.8105 528.4619 14.86599 500.7518 14.99277 27.71005       21.11352 
1 1 1 -22 9  14 o 303.4198 10.06796 2716.255       178.9098 2890.907       243.8106 2512.485       263.3512 312.3214 13.34142 290.5741 15.50973 21.74731       20.45837 
1 1 1 -22 9  15 o 321.0631 11.35148 3045.903       213.4074 2757.651       247.3174 3886.180       422.2601 304.8958 13.86728 359.9105 20.08450 -55.01474      24.40673 
1 1 1 -22 9  16 o 407.8814 10.04297 4903.056       240.2407 4609.988       325.7572 5252.516       355.7199 394.2997 14.10970 420.8069 14.43505 -26.50720      20.18550 
1 1 1 -22 9  17 o 366.9170 10.26104 3971.560       220.5886 3924.117       304.2121 4024.163       320.3304 363.6974 14.28999 368.1371 14.86731 -4.439728      20.62136 
1 1 1 -22 9  18 f 346.2900 12.58665 3548.850       255.1981 3330.945       319.0608 3935.812       425.1806 334.4314 16.31656 362.1944 20.09494 -27.76303      25.88507 
1 1 1 -22 9  19 o 500.9149 10.71634 7401.341       314.8189 7814.452       458.2313 7032.029       433.2598 512.9429 15.24922 486.5832 15.20106 26.35974       21.53163 
1 1 1 -22 9  20 o 65.10662 24.72058 94.24039       130.1232 142.7697       162.1762 6.537114       218.0183 75.51814 27.81322 69.68279 29.86297 5.835358       40.80898 
1 1 1 -22 9  21 o 204.8959 12.37828 1246.256       148.0518 1219.536       193.3766 1284.104       230.1442 201.7307 16.48858 206.2518 19.24846 -4.521057      25.34515 
1 1 1 -22 9  22 o 145.5348 15.96026 637.9824       133.9930 686.1210       171.2757 562.0428       215.1213 149.9166 19.97707 132.8828 28.46095 17.03374       34.77224 
1 1 1 -22 9  23 o 257.4476 10.56939 1961.181       159.2447 1913.561       214.0738 2020.178       238.2775 253.3038 14.47044 259.9043 15.70545 -6.600449      21.35544 
1 1 1 -22 9  24 o 190.3977 12.29892 1079.160       136.5996 1059.551       180.1604 1105.677       209.5055 187.5230 16.55124 190.8071 18.97304 -3.284103      25.17777 
1 1 1 -22 9  25 o 240.7375 10.54836 1717.641       148.5675 1776.846       202.5302 1648.668       218.6013 243.8144 14.22560 234.2312 16.00945 9.583115       21.41658 
1 1 1 -22 9  26 o 156.6925 14.03051 737.5413       127.5722 740.0315       165.8634 733.9345       199.6186 155.6056 18.53918 153.3789 22.89107 2.226624       29.45679 
1 1 1 -22 9  27 o 183.0379 13.43978 1003.546       143.2667 1226.668       182.2483 642.6339       231.7892 201.7873 15.51907 140.5977 29.07089 61.18961       32.95388 
1 1 1 -22 9  28 o 183.2895 13.82132 1009.084       147.4776 1250.595       185.1113 589.4176       244.0150 203.5134 15.62880 132.9398 31.73792 70.57367       35.37732 
1 1 1 -22 9  29 o 287.3647 11.80115 2462.850       198.4647 2832.691       275.4024 2063.286       286.2552 306.4604 15.37204 259.5398 18.93640 46.92059       24.39030 
1 1 1 -22 9  30 o 158.8540 16.08017 771.3045       147.7485 687.7600       166.5128 1080.576       320.3752 148.4657 19.60213 179.1232 31.65439 -30.65750      37.23230 
1 1 1 -22 9  31 o 127.9443 15.55723 503.9237       114.3392 585.4592       161.5288 422.0414       161.8719 135.5994 20.98898 112.8642 25.10335 22.73524       32.72179 
1 1 1 -22 9  32 o 122.9970 15.88837 469.6284       111.9356 630.7823       162.4255 323.8644       154.4752 140.5890 20.28542 97.56601 26.37251 43.02301       33.27172 
1 1 1 -22 9  33 o 73.88898 22.88103 178.9127       109.3086 283.1715       155.8484 77.96569       153.3531 90.64809 27.17437 63.42147 25.94792 27.22662       37.57314 
1 1 1 -22 9  34 o 68.85879 22.47015 153.1277       104.2763 33.60651       147.2726 273.2884       147.6661 57.71884 24.63506 88.79723 26.41149 -31.07839      36.11721 
1 1 1 -22 9  35 o 90.20689 20.46258 270.1273       105.7595 143.3098       149.8619 395.9496       149.2728 69.82426 26.52528 107.4700 24.26028 -37.64570      35.94651 
1 1 1 -22 9  36 o 151.0856 13.36154 704.5614       117.1750 562.5898       168.4879 837.5426       163.0659 128.7013 23.17427 162.1107 17.42468 -33.40942      28.99424 
1 1 1 -22 9  37 o 51.74681 21.52212 43.51302       107.8438 201.4004       157.9961 -94.21669      147.5660 76.46818 27.55884 46.67992 21.80390 29.78825       35.14114 
1 1 1 -22 9  38 o 95.33743 19.20346 303.5276       103.6560 -175.4087      427.0376 333.5129       106.8516 72.05453 34.62724 100.2529 18.86543 -28.19839      39.43285 
1 1 1 -22 9  39 f 223.5990 10.29386 1519.142       134.6269 1224.513       440.9532 1549.429       141.3772 152.5781 45.70227 225.4890 10.72134 -72.91084      46.94300 
1 1 1 -22 9  40 o 67.94286 23.07220 160.3012       109.7169 360.6286       369.6792 140.9511       114.8937 89.64878 38.65865 64.96698 23.48937 24.68180       45.23541 
1 1 1 -22 9  41 o 69.68032 25.43335 170.9778       135.1331 0.000000       0.000000 170.9778       135.1331 ?        ?        69.68032 25.43335 0.000000       25.43335 
1 1 1 -22 9  42 o 82.08489 25.53917 257.2108       136.0009 0.000000       0.000000 257.2108       136.0009 ?        ?        82.08489 25.53917 0.000000       25.53917 
1 1 1 -22 9  43 o 88.17304 26.02489 301.8541       143.8213 190.4932       329.0493 328.1526       159.9042 76.58022 34.55487 90.54582 27.60825 -13.96560      44.22956 
1 1 1 -22 10 1  o 239.8915 14.10025 1707.599       197.5025 1534.056       234.7274 2128.329       365.4792 226.5192 17.81204 265.2413 23.74570 -38.72208      29.68379 
1 1 1 -22 10 2  o 113.1562 44.60252 275.4805       435.5589 0.000000       0.000000 275.4805       435.5589 ?        ?        113.1562 44.60252 0.000000       44.60252 
1 1 1 -22 10 3  o 157.5986 16.40378 744.4716       149.4004 714.9280       188.7165 794.0772       244.5362 153.1894 21.60459 160.0578 27.01085 -6.868408      34.58821 
1 1 1 -22 10 4  o 202.5080 13.30795 1216.990       157.1776 1102.173       199.2242 1406.276       255.7979 191.7253 17.92570 216.1132 20.42434 -24.38783      27.17507 
1 1 1 -22 10 5  o 452.1102 11.41436 6032.324       302.4120 6081.694       467.0640 5996.686       396.8208 451.9631 17.65464 449.7106 15.06692 2.252563       23.20988 
1 1 1 -22 10 6  o 359.8481 10.95127 3821.118       230.8492 3618.533       325.2074 4026.880       327.7477 348.9438 15.93316 368.3588 15.20382 -19.41501      22.02321 
1 1 1 -22 10 7  o 105.0442 22.16100 342.6797       132.2244 305.4713       158.3900 428.2291       240.1682 98.79121 26.70497 116.3643 33.42845 -17.57304      42.78571 
1 1 1 -22 10 8  o 293.2303 10.99497 2539.013       188.7484 2525.074       253.6521 2556.307       282.5396 291.5833 14.88209 292.9606 16.51129 -1.377258      22.22835 
1 1 1 -22 10 9  o 174.4605 13.79922 905.9800       140.0404 1052.385       174.8659 644.1712       233.8401 187.6483 16.04325 143.1006 28.86007 44.54776       33.01954 
1 1 1 -22 10 10 o 168.4655 14.20390 846.0867       139.0298 997.0207       176.8357 601.7767       224.9817 182.4359 16.71308 138.1976 28.69810 44.23837       33.21005 
1 1 1 -22 10 11 o 48.00650 21.47886 -50.11237      124.1660 -64.72306      152.6074 -21.49695      213.5700 52.83242 23.71165 66.99198 29.13398 -14.15956      37.56370 
1 1 1 -22 10 12 o 221.1525 11.36269 1447.042       146.8808 1604.919       187.3253 1195.055       236.6600 232.4587 13.80256 198.8121 20.59490 33.64667       24.79235 
1 1 1 -22 10 13 o 252.7618 10.83560 1887.791       160.2526 2036.445       209.6610 1678.916       248.5263 261.9607 13.69436 236.7183 18.03733 25.24239       22.64687 
1 1 1 -22 10 14 o 304.7748 12.44319 2749.250       221.9458 2484.443       267.1468 3339.295       398.7749 288.8630 15.82963 333.4023 20.49332 -44.53928      25.89504 
1 1 1 -22 10 15 o 370.7733 11.59614 4062.078       251.8477 4351.124       309.6745 3497.471       432.8082 383.1502 13.80372 340.7151 21.77370 42.43512       25.78055 
1 1 1 -22 10 16 o 330.6614 10.33571 3226.276       200.1893 3026.359       269.8901 3470.800       298.4855 319.2873 14.45047 341.8365 14.92458 -22.54913      20.77400 
1 1 1 -22 10 17 o 225.9775 14.26251 1518.432       188.0575 1619.914       225.0132 1283.325       342.4882 232.8816 16.58339 202.9604 29.64773 29.92119       33.97053 
1 1 1 -22 10 18 o 314.6717 10.41793 2922.778       191.9953 2808.704       257.0176 3066.806       288.7972 307.5717 14.28744 321.1120 15.37979 -13.54034      20.99211 
1 1 1 -22 10 19 o 46.64521 21.10004 -63.98496      123.5905 -224.6008      152.8202 239.6692       210.1242 42.80235 20.60659 91.76268 31.90151 -48.96033      37.97812 
1 1 1 -22 10 20 o 47.15666 21.20726 -55.38800      122.7639 -106.7939      149.5244 50.93595       215.0409 49.00545 22.56017 72.83590 30.35013 -23.83045      37.81656 
1 1 1 -22 10 21 o 75.48376 24.07466 170.5573       120.1431 110.1008       146.8400 292.9896       208.9638 69.35561 26.27747 97.89223 31.79944 -28.53661      41.25178 
1 1 1 -22 10 22 o 74.25892 23.80145 164.8883       117.3209 142.5781       147.6732 203.0675       193.1803 73.62818 26.62892 85.61993 30.51867 -11.99174      40.50294 
1 1 1 -22 10 23 o 381.3367 9.868367 4296.046       220.5156 4262.736       307.9025 4331.124       315.9662 378.4802 13.89496 381.4053 14.15002 -2.925079      19.83161 
1 1 1 -22 10 24 o 474.5743 10.14358 6656.354       282.3230 6260.628       388.1196 7101.040       411.4291 458.1899 14.46151 488.0419 14.39004 -29.85202      20.40119 
1 1 1 -22 10 25 o 333.4137 9.669553 3287.451       188.8779 3100.073       258.8864 3500.696       276.1788 322.3859 13.72390 342.5971 13.77344 -20.21124      19.44358 
1 1 1 -22 10 26 o 79.29937 30.82807 143.8515       205.6903 -273.7170      456.2806 250.3522       230.4328 82.90253 38.59552 92.72136 33.29898 -9.818832      50.97486 
1 1 1 -22 10 27 o 88.69954 22.68695 250.7177       118.4757 232.3827       151.9574 279.1408       189.1985 86.02573 27.03037 93.87625 30.23868 -7.850525      40.55883 
1 1 1 -22 10 28 o 294.9161 9.925310 2579.333       171.4249 2373.038       236.4585 2807.874       248.8811 281.1260 14.38966 306.0925 13.90028 -24.96646      20.00700 
1 1 1 -22 10 29 o 325.8172 16.88703 3223.966       321.5832 4290.523       581.4863 2754.031       385.9815 366.2281 27.26876 297.2812 22.30107 68.94687       35.22673 
1 1 1 -22 10 30 o 141.0200 14.17229 604.5992       115.6242 708.0565       158.6011 487.2400       168.9211 151.0434 18.27534 122.2692 24.41216 28.77422       30.49494 
1 1 1 -22 10 31 o 246.8045 9.877407 1816.665       142.6818 1720.730       201.9273 1912.325       201.6380 237.8706 14.54403 251.2857 13.73436 -13.41507      20.00403 
1 1 1 -22 10 32 o 232.3480 10.19595 1615.928       138.5984 1668.327       202.3984 1569.660       190.1867 233.4612 14.85941 226.7318 14.37672 6.729492       20.67588 
1 1 1 -22 10 33 o 84.28347 20.91309 234.6963       102.8793 213.3196       143.6091 257.2328       147.4538 79.93624 26.38519 86.63673 26.53017 -6.700493      37.41695 
1 1 1 -22 10 34 o 249.9123 9.827054 1872.506       143.7521 1957.502       210.7439 1798.547       196.5861 252.4859 14.29038 242.2879 13.89297 10.19803       19.93062 
1 1 1 -22 10 35 o 52.71256 21.43867 52.25288       103.9323 31.76595       146.5403 72.98897       147.4287 56.97600 24.45142 61.24694 25.29032 -4.270947      35.17772 
1 1 1 -22 10 36 o 57.22939 21.94900 87.65363       103.2454 205.8472       151.8652 -13.92279      140.7854 77.28036 27.10358 51.56196 22.98382 25.71840       35.53674 
1 1 1 -22 10 37 o 145.1658 12.70000 650.2931       107.0353 640.9290       424.4305 650.9291       110.6103 112.1225 44.07969 144.9798 13.15176 -32.85731      45.99987 
1 1 1 -22 10 38 o 62.76210 23.00590 123.3997       110.7470 615.6565       440.9760 90.26222       114.4139 107.4891 43.99205 58.29742 22.89612 49.19167       49.59368 
1 1 1 -22 10 39 o 69.48080 22.74954 167.6635       106.8433 279.1996       411.3551 159.5947       110.6405 86.87875 38.96578 68.12669 23.16862 18.75205       45.33340 
1 1 1 -22 10 40 o 117.0621 17.63629 452.4034       117.3246 310.2901       427.1463 463.9999       122.0176 86.91674 39.28037 118.1723 18.18822 -31.25559      43.28694 
1 1 1 -22 10 41 o 115.8179 22.37779 474.3698       146.4983 605.4080       442.5520 458.2433       155.2514 100.3656 42.76682 112.0235 24.32883 -11.65785      49.20257 
1 1 1 -22 10 42 o 91.52645 25.86079 322.3842       144.9198 1073.322       396.0453 206.2930       155.7194 137.9139 43.67803 73.92909 27.24942 63.98479       51.48108 
1 1 1 -22 10 43 f 175.2722 14.91742 987.0111       151.8849 1240.126       402.0569 944.8760       164.0404 150.8245 43.22757 169.6312 16.70555 -18.80673      46.34327 
1 1 1 -22 11 1  o 486.2071 12.03090 6976.498       343.0599 6638.915       514.3049 7247.103       460.4673 471.8562 18.62148 494.1233 15.91034 -22.26709      24.49282 
1 1 1 -22 11 2  o 324.6351 28.13758 3220.294       530.4290 0.000000       0.000000 3220.294       530.4290 ?        ?        324.6351 28.13758 0.000000       28.13758 
1 1 1 -22 11 3  o 401.7409 12.62315 4771.114       297.0468 4684.104       384.8226 4899.390       467.2480 396.9053 16.56835 404.7783 19.74202 -7.873016      25.77320 
1 1 1 -22 11 4  o 840.9418 16.70248 20998.84       823.7540 20017.67       1342.579 21591.22       1043.192 811.2654 28.26117 849.7054 20.93367 -38.44006      35.16976 
1 1 1 -22 11 5  o 396.1330 11.17517 4631.366       259.3651 4489.393       377.0300 4758.909       357.3557 388.5050 16.58552 400.4517 15.24381 -11.94669      22.52673 
1 1 1 -22 11 6  o 226.7913 12.19576 1522.880       161.6163 1372.326       200.6844 1800.706       272.6174 214.4779 16.07127 245.0420 19.12107 -30.56409      24.97801 
1 1 1 -22 11 7  o 236.6979 12.23336 1658.689       169.2445 1781.735       223.6644 1493.855       258.8730 244.6131 15.67320 222.7827 20.02671 21.83044       25.43065 
1 1 1 -22 11 8  o 166.6060 13.95555 827.0707       135.1086 689.9048       163.0751 1127.325       241.2731 151.0151 18.81997 192.7887 21.71650 -41.77364      28.73669 
1 1 1 -22 11 9  o 238.7209 11.72826 1686.184       163.6979 1836.132       211.5702 1462.516       258.3953 248.5427 14.57854 220.2868 20.22629 28.25589       24.93265 
1 1 1 -22 11 10 o 149.0146 14.84928 664.4312       128.0475 620.9753       155.3454 756.5339       226.1572 143.0907 18.97884 156.3223 25.55009 -13.23161      31.82771 
1 1 1 -22 11 11 f 260.7214 11.14185 2009.071       169.9738 1994.606       226.0012 2027.908       257.9044 258.9704 14.94371 260.6067 16.96641 -1.636292      22.60915 
1 1 1 -22 11 12 f 198.8927 12.13771 1172.706       140.9072 1271.761       176.3262 997.6701       234.3917 206.6575 14.64324 180.8913 22.58467 25.76617       26.91638 
1 1 1 -22 11 13 o 150.8546 15.96756 682.9777       139.1273 704.4094       173.2030 643.9993       233.5815 152.3018 19.86387 142.9552 28.85610 9.346619       35.03210 
1 1 1 -22 11 14 o 224.9059 22.76910 1535.566       296.1961 1289.756       522.9866 1651.645       359.3909 196.1718 46.22135 231.8125 26.93603 -35.64070      53.49732 
1 1 1 -22 11 15 o 247.7413 11.28649 1814.794       163.5557 1840.879       211.1025 1775.623       258.6905 248.8480 14.52786 243.4259 18.25313 5.422089       23.32886 
1 1 1 -22 11 16 o 363.9439 10.20474 3907.181       217.5996 3798.686       294.0463 4038.521       323.5266 357.9078 14.03579 368.7633 14.99056 -10.85553      20.53583 
1 1 1 -22 11 17 o 234.7138 14.40811 1638.310       197.3777 1616.391       234.8878 1690.974       364.0903 232.4039 17.35862 234.5088 26.96281 -2.104950      32.06735 
1 1 1 -22 11 18 o 82.93476 25.70660 208.8304       137.9349 69.92308       170.3934 472.9080       234.9395 68.25730 27.56308 121.5636 32.37675 -53.30626      42.52032 
1 1 1 -22 11 19 o 95.12663 23.49536 283.8048       130.2962 390.3321       159.7052 71.75169       225.3257 111.4087 25.05242 76.06982 31.32372 35.33889       40.10984 
1 1 1 -22 11 20 o 246.7109 11.08807 1801.140       160.0233 1816.728       212.9712 1780.929       242.5095 246.9178 14.77436 243.8174 17.06731 3.100372       22.57376 
1 1 1 -22 11 21 o 49.16667 21.71421 -32.25058      122.7994 -70.40546      152.4289 38.30402       207.2788 52.15475 23.52743 70.43147 29.60328 -18.27672      37.81395 
1 1 1 -22 11 22 o 176.7230 13.51093 932.1892       138.9708 916.8891       179.5389 955.0576       219.4970 174.1331 17.83188 176.5306 21.65409 -2.397522      28.05131 
1 1 1 -22 11 23 o 348.8086 9.823329 3595.979       200.7538 3840.062       284.3108 3353.273       283.5083 359.2129 13.51969 335.2867 14.45173 23.92621       19.78976 
1 1 1 -22 11 24 o 328.0370 9.978137 3183.281       191.7421 3071.285       264.4242 3307.471       278.4477 320.8193 14.08804 332.8630 14.29688 -12.04376      20.07171 
1 1 1 -22 11 25 o 248.3531 10.65322 1829.322       154.8068 1812.269       203.6360 1852.672       238.2841 246.1282 14.16712 248.0095 16.47576 -1.881378      21.72920 
1 1 1 -22 11 26 o 160.9199 23.13508 809.4198       212.0709 685.2920       483.9443 838.9214       235.9304 139.2064 48.41289 162.8236 25.54669 -23.61726      54.73976 
1 1 1 -22 11 27 o 167.4527 13.80972 842.9266       134.4167 994.1235       181.8436 660.7969       199.5799 180.7166 17.37103 144.2978 24.45587 36.41879       29.99737 
1 1 1 -22 11 28 o 138.3565 15.81500 583.4592       126.0247 524.0074       166.1644 663.9670       193.3635 128.4263 22.90146 144.6042 23.61470 -16.17790      32.89576 
1 1 1 -22 11 29 o 175.3091 12.53718 923.1972       128.0497 870.5934       173.9255 985.4586       189.2187 168.1526 17.91174 178.8231 18.30001 -10.67053      25.60705 
1 1 1 -22 11 30 f 167.1971 12.32917 842.2382       120.0460 946.1329       164.4032 723.5741       175.7006 175.6441 16.14007 151.4837 20.28633 24.16039       25.92368 
1 1 1 -22 11 31 o 54.25014 21.88853 53.16390       107.3568 -54.09665      146.7475 176.6713       157.4698 50.74043 22.96837 76.21603 27.50701 -25.47560      35.83547 
1 1 1 -22 11 32 o 236.9942 10.16156 1682.124       140.9088 1685.683       204.0183 1678.877       194.8482 234.4542 14.91482 234.4311 14.23913 0.2308655E-01  20.62049 
1 1 1 -22 11 33 o 117.0113 16.90768 432.3202       112.6674 486.4396       160.4560 379.6861       158.2388 120.5316 23.54366 104.8615 25.88807 15.67014       34.99280 
1 1 1 -22 11 34 o 121.0827 15.64082 459.5130       108.4767 694.8584       159.3777 256.3929       148.0646 147.2697 18.88710 85.84422 26.63799 61.42543       32.65433 
1 1 1 -22 11 35 o 157.0722 16.75344 780.3803       151.9518 585.6060       400.6847 813.0971       164.2185 112.7832 43.24353 159.5951 17.85033 -46.81197      46.78287 
1 1 1 -22 11 36 o 110.2449 16.76566 390.1704       104.9894 481.3229       392.8387 383.1588       108.9525 103.0189 41.76049 108.7167 17.69603 -5.697830      45.35514 
1 1 1 -22 11 37 o 121.2225 15.86858 468.3512       110.1102 111.0597       424.1299 494.1729       114.0197 82.44432 37.96922 124.4889 15.98552 -42.04462      41.19707 
1 1 1 -22 11 38 o 44.41452 20.09624 -30.85104      112.1981 347.3656       467.3276 -53.98512      115.5786 91.97380 41.36849 43.15541 19.85528 48.81839       45.88665 
1 1 1 -22 11 39 o 40.56040 18.98948 -79.06171      113.0080 -854.5566      448.6615 -26.52954      116.7729 57.41807 28.92663 45.45241 20.54000 11.96566       35.47734 
1 1 1 -22 11 40 o 121.8660 18.75984 497.0588       129.7850 609.8176       432.0547 485.8749       136.0692 102.1584 42.82639 119.3726 20.15264 -17.21416      47.33105 
1 1 1 -22 11 41 o 43.34022 20.28463 -77.71783      128.7813 -313.9668      402.3605 -50.75396      135.9319 63.47018 31.18575 46.46116 21.43257 17.00902       37.84053 
1 1 1 -22 11 42 o 78.56007 25.38305 235.1916       133.2490 356.6257       377.3173 217.8893       142.4259 86.10921 38.04469 75.58057 26.26507 10.52864       46.23043 
1 1 1 -22 11 43 o 45.56402 21.21854 -63.07117      138.0641 -197.6661      407.0472 -45.57352      146.7643 65.46378 31.99839 48.11430 22.22189 17.34948       38.95779 
1 1 1 -22 12 1  o 203.1268 15.83353 1230.818       187.1344 1384.769       220.9473 840.1047       351.9875 215.0974 17.67037 161.1335 37.88820 53.96394       41.80619 
1 1 1 -22 12 2  o 439.4897 24.45303 5834.680       627.7927 0.000000       0.000000 5834.680       627.7927 ?        ?        439.4897 24.45303 0.000000       24.45303 
1 1 1 -22 12 3  o 351.7936 11.08995 3653.117       228.5206 3401.878       315.5398 3930.241       331.3968 338.2719 15.95006 363.7598 15.57000 -25.48788      22.28967 
1 1 1 -22 12 4  o 463.5648 11.47921 6339.922       312.0851 5506.202       441.4894 7172.627       441.2207 429.9302 17.54629 491.6754 15.31994 -61.74518      23.29320 
1 1 1 -22 12 5  o 381.4476 10.90839 4293.902       243.7811 3767.448       331.6409 4912.750       359.5669 355.9861 15.92522 406.8736 15.09466 -50.88748      21.94223 
1 1 1 -22 12 6  o 85.71805 24.35265 227.3802       128.1539 249.7081       154.9831 179.1070       227.8842 90.14294 27.11613 86.83797 32.77267 3.304977       42.53625 
1 1 1 -22 12 7  o 142.1647 15.58660 606.4700       127.8271 549.3497       154.9935 727.9464       226.0291 134.1258 20.34122 153.1439 26.10106 -19.01814      33.09125 
1 1 1 -22 12 8  o 300.5853 11.12400 2668.881       195.7625 2711.639       270.2761 2621.695       283.9281 302.0111 15.30922 296.6530 16.38320 5.358063       22.42279 
1 1 1 -22 12 9  o 168.7715 13.63440 848.1438       133.8060 869.5828       161.2930 800.8221       239.6316 170.3488 16.34485 160.6835 26.34045 9.665329       30.99957 
1 1 1 -22 12 10 o 292.5112 10.94450 2527.264       187.4227 2629.548       262.0459 2420.142       268.1717 297.4291 15.07167 285.0336 16.10784 12.39545       22.05941 
1 1 1 -22 12 11 o 69.20003 23.95865 131.7508       118.4599 93.35362       139.6944 230.0436       223.5064 66.46650 25.52104 91.82362 32.81611 -25.35712      41.57188 
1 1 1 -22 12 12 o 90.77509 23.06376 257.3435       123.0134 315.1615       144.9607 108.5814       232.5225 100.2321 24.79757 80.45226 32.29958 19.77988       40.72079 
1 1 1 -22 12 13 f 142.4698 15.39980 608.9037       126.6307 608.5478       153.8743 609.6505       222.8961 141.6080 19.00754 139.1806 28.27273 2.427353       34.06807 
1 1 1 -22 12 14 o 269.5698 11.31120 2148.032       178.4286 2277.975       241.0346 1990.499       265.3926 276.8188 14.90174 257.9903 17.64647 18.82849       23.09675 
1 1 1 -22 12 15 o 336.2167 17.82827 3375.866       350.2868 3500.365       574.7103 3302.279       441.8435 337.2822 29.34578 330.5774 22.93218 6.704834       37.24324 
1 1 1 -22 12 16 o 482.3428 14.01741 6895.206       396.1075 6802.409       515.0771 7029.520       619.6752 477.2475 18.43724 483.3612 21.91660 -6.113739      28.64034 
1 1 1 -22 12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 12 18 o 367.7057 10.11664 3989.577       217.9588 3797.906       295.4083 4218.589       322.9043 357.7050 14.10912 376.8528 14.63788 -19.14777      20.33064 
1 1 1 -22 12 19 o 158.6063 14.50369 752.4881       133.4201 880.9827       165.4982 513.9453       225.4934 171.2034 16.69461 126.6420 30.68608 44.56142       34.93344 
1 1 1 -22 12 20 o 321.8728 9.986147 3059.360       188.2812 3098.688       260.7154 3016.493       272.1953 322.9181 13.79832 318.3415 14.61832 4.576599       20.10196 
1 1 1 -22 12 21 o 211.8626 11.66515 1331.785       144.3829 1281.086       185.2550 1410.231       230.4380 206.8849 15.37828 216.2170 18.34549 -9.332169      23.93843 
1 1 1 -22 12 22 o 196.6412 12.14721 1150.079       139.4043 1171.964       176.0242 1113.259       228.3177 197.7045 15.30016 190.9175 20.72322 6.786926       25.75940 
1 1 1 -22 12 23 o 98.60750 22.20991 306.8721       125.3460 382.1790       158.3669 180.5766       205.0883 109.4827 25.18859 83.53641 31.18155 25.94630       40.08434 
1 1 1 -22 12 24 o 388.8761 9.870897 4472.951       224.9403 4342.720       314.3871 4609.545       321.9758 381.4772 14.07638 393.0785 13.98899 -11.60123      19.84531 
1 1 1 -22 12 25 o 54.77682 22.69176 31.40256       119.2132 115.6482       149.0222 -118.3354      198.6749 69.67841 26.45530 56.98469 26.14956 12.69373       37.19789 
1 1 1 -22 12 26 o 245.1007 13.30707 1795.780       190.5661 1564.877       220.1054 2487.014       380.8280 227.5330 16.60877 283.4280 23.11099 -55.89508      28.45995 
1 1 1 -22 12 27 o 433.0258 14.45833 5623.500       366.6679 5623.500       366.6679 0.000000       0.000000 433.0258 14.45833 ?        ?        0.000000       14.45833 
1 1 1 -22 12 28 o 388.5744 9.864025 4480.309       224.6093 4393.484       331.0167 4554.397       305.7739 381.9884 14.80376 389.8513 13.39357 -7.862854      19.96345 
1 1 1 -22 12 29 o 135.2571 15.86055 561.3699       123.4268 575.2527       163.9136 543.1902       187.5725 134.5731 21.49111 128.6470 25.76016 5.926102       33.54778 
1 1 1 -22 12 30 o 92.86731 20.99726 279.6790       111.6676 346.0428       149.6011 196.1811       167.8058 101.8263 25.19098 79.77093 28.44272 22.05540       37.99439 
1 1 1 -22 12 31 o 41.08912 19.00140 -73.32612      107.8067 -191.8234      148.6617 58.11190       156.5689 42.37025 20.37958 62.09480 25.88758 -19.72455      32.94684 
1 1 1 -22 12 32 o 241.2830 10.07245 1744.222       142.2186 1671.956       209.1300 1806.396       193.9784 232.9515 15.39364 243.4193 13.64235 -10.46777      20.56886 
1 1 1 -22 12 33 o 92.34692 21.13549 283.0434       111.9878 317.7061       157.0503 247.1862       159.7331 95.21828 26.92738 84.67125 27.82127 10.54703       38.71830 
1 1 1 -22 12 34 o 173.0497 24.15196 1008.181       238.4491 892.6695       455.6805 1051.737       279.8173 135.3818 46.98391 172.5102 28.66270 -37.12833      55.03670 
1 1 1 -22 12 35 o 284.8007 8.675295 2426.929       144.7336 2675.177       502.8551 2404.506       151.1288 266.6888 32.84346 283.1902 9.111381 -16.50137      34.08387 
1 1 1 -22 12 36 o 65.15022 22.06209 138.9215       100.3148 120.1901       457.4038 139.8680       102.8179 85.01109 39.25128 65.41565 22.33287 19.59544       45.15994 
1 1 1 -22 12 37 o 56.26793 22.07729 81.70555       106.2870 181.6843       469.6912 76.30955       109.1176 86.36958 39.84153 55.86790 22.22785 30.50169       45.62264 
1 1 1 -22 12 38 o 52.84757 23.41344 5.590998       143.8633 0.000000       0.000000 5.590998       143.8633 ?        ?        52.84757 23.41344 0.000000       23.41344 
1 1 1 -22 12 39 o 83.55211 22.51341 249.1847       112.7880 28.55909       409.9593 267.2515       117.3152 75.46727 35.59276 86.36989 22.82134 -10.90262      42.28071 
1 1 1 -22 12 40 o 85.99168 23.11146 268.0508       119.0448 285.0174       398.4250 266.3876       124.7432 84.79099 38.16243 85.14768 23.97040 -0.3566971     45.06608 
1 1 1 -22 12 41 o 64.92753 23.89745 144.0589       119.6940 395.1414       349.3192 110.6581       127.4068 89.28272 38.01845 60.80965 24.07487 28.47307       45.00002 
1 1 1 -22 12 42 o 62.86620 24.29255 128.5144       127.1414 307.8933       383.9286 106.4195       134.7444 83.44235 37.51651 60.62818 24.50059 22.81417       44.80812 
1 1 1 -22 13 1  o 421.7502 15.98852 5285.532       394.7544 0.000000       0.000000 5285.532       394.7544 ?        ?        421.7502 15.98852 0.000000       15.98852 
1 1 1 -22 13 2  o 312.4138 17.49664 2911.879       319.2984 0.000000       0.000000 2911.879       319.2984 ?        ?        312.4138 17.49664 0.000000       17.49664 
1 1 1 -22 13 3  o 546.8630 21.82552 8979.970       698.5870 0.000000       0.000000 8979.970       698.5870 ?        ?        546.8630 21.82552 0.000000       21.82552 
1 1 1 -22 13 4  o 454.0907 11.31983 6083.304       301.4624 5323.231       424.1434 6859.271       428.5553 422.7953 17.14089 480.7787 15.21803 -57.98337      22.92157 
1 1 1 -22 13 5  o 326.2426 10.87813 3142.116       207.8441 3266.060       296.6172 3022.554       291.3260 331.5473 15.29580 318.8300 15.62769 12.71738       21.86747 
1 1 1 -22 13 6  o 77.02699 23.39919 179.9456       115.0071 306.4334       134.1355 -171.1055      223.4626 99.00658 23.46215 59.00797 27.31204 39.99861       36.00584 
1 1 1 -22 13 7  o 71.30357 24.35725 142.4050       122.3062 208.7678       146.7292 -8.676902      221.3914 83.50356 26.60233 69.18745 29.87643 14.31611       40.00357 
1 1 1 -22 13 8  o 328.9453 10.65737 3193.843       205.3291 3225.798       285.4290 3159.571       295.5962 329.5934 14.80400 325.9882 15.50577 3.605194       21.43798 
1 1 1 -22 13 9  o 349.8841 10.95894 3614.352       224.5987 3683.112       320.2839 3547.825       315.0421 351.9948 15.55328 345.4460 15.59045 6.548706       22.02196 
1 1 1 -22 13 10 o 277.2047 10.79943 2269.555       175.2348 2212.406       232.2003 2345.166       267.0842 272.8877 14.56141 280.5232 16.30439 -7.635468      21.86019 
1 1 1 -22 13 11 o 298.7555 10.99816 2636.328       192.3732 2757.580       259.6335 2488.733       286.4529 304.7368 14.56951 288.8095 16.98686 15.92728       22.37910 
1 1 1 -22 13 12 o 335.4275 10.89040 3321.891       213.9523 3231.009       300.1797 3415.731       305.0272 329.6306 15.57158 338.9981 15.38239 -9.367523      21.88817 
1 1 1 -22 13 13 o 169.7257 14.46780 859.3798       142.6411 988.9870       172.8031 582.2162       252.6998 181.7461 16.38782 134.9368 32.35151 46.80933       36.26542 
1 1 1 -22 13 14 o 305.5469 11.16660 2758.063       199.7645 2899.404       276.8844 2604.624       288.4924 312.3252 15.16144 295.5520 16.71179 16.77316       22.56442 
1 1 1 -22 13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 13 16 o 505.7079 12.56225 7560.082       372.5784 7916.136       464.8958 6920.793       622.9396 516.2283 15.37260 479.2947 22.22165 36.93362       27.02071 
1 1 1 -22 13 17 o 305.7305 11.73108 2765.050       209.9523 2835.239       246.4885 2579.525       400.7408 309.1237 13.62959 291.3969 23.65239 17.72678       27.29838 
1 1 1 -22 13 18 o 232.4410 11.45417 1599.823       155.6637 1501.726       201.1195 1746.391       245.8353 224.3041 15.38166 241.3694 17.48501 -17.06534      23.28779 
1 1 1 -22 13 19 o 377.1580 10.02601 4199.387       221.5730 4282.688       310.9947 4113.513       315.7627 379.6851 13.99014 371.9202 14.50421 7.764893       20.15182 
1 1 1 -22 13 20 o 102.8941 22.19414 331.7004       129.9900 477.7339       161.4945 62.98963       219.0654 123.7302 23.10467 74.13523 30.74023 49.59498       38.45501 
1 1 1 -22 13 21 o 89.42831 23.42873 252.2706       124.3266 326.4238       156.3517 124.7564       205.0298 101.2437 26.14950 77.92441 30.63630 23.31932       40.27877 
1 1 1 -22 13 22 o 218.2931 11.67923 1415.671       148.9776 1470.066       195.8925 1341.056       229.4330 221.4874 15.17222 210.2846 18.80181 11.20277       24.15997 
1 1 1 -22 13 23 o 100.1138 22.00848 316.3427       125.6932 388.5415       158.9011 195.6483       205.4497 110.3134 25.12488 85.11002 31.31182 25.20341       40.14585 
1 1 1 -22 13 24 o 291.0641 10.09507 2508.885       172.0641 2449.507       234.7466 2577.825       252.9416 286.2921 14.02371 293.4232 14.74584 -7.131073      20.34955 
1 1 1 -22 13 25 o 250.5816 10.84550 1864.296       159.0083 1699.728       214.2755 2065.983       237.2134 237.7253 15.45278 262.1613 15.49751 -24.43602      21.88518 
1 1 1 -22 13 26 f 98.10059 33.51484 303.1985       231.5628 220.8280       577.2119 318.9981       252.7974 112.3903 48.38425 100.6940 34.99214 11.69633       59.71168 
1 1 1 -22 13 27 o 237.9767 10.98999 1686.248       152.9707 1827.851       213.4123 1536.618       219.3775 246.2761 14.84457 224.8936 16.75311 21.38242       22.38366 
1 1 1 -22 13 28 o 131.5176 18.84409 538.8691       141.2004 699.5181       172.0323 207.2174       247.1794 149.5742 20.12103 87.57704 33.86344 61.99715       39.39021 
1 1 1 -22 13 29 o 93.80304 21.45897 285.1364       115.4860 148.8272       151.3568 475.0634       178.6623 72.70309 26.85310 119.4711 26.21992 -46.76805      37.53096 
1 1 1 -22 13 30 o 107.0561 18.41343 363.5718       111.4425 298.0777       148.0109 449.3030       169.3409 93.94263 25.98797 115.6813 25.63475 -21.73866      36.50364 
1 1 1 -22 13 31 o 49.62492 21.16489 15.40940       108.5621 89.87505       148.0942 -71.08942      159.6118 64.20127 25.77643 51.53752 23.57054 12.66375       34.92842 
1 1 1 -22 13 32 o 133.1620 14.35636 547.4518       110.3483 559.0085       151.9019 534.5385       160.5708 131.4131 20.36812 127.2946 22.32175 4.118484       30.21789 
1 1 1 -22 13 33 o 112.1960 16.36740 397.5413       104.5273 369.6077       455.5450 399.0938       107.3926 101.2565 43.27517 112.1918 16.84106 -10.93526      46.43664 
1 1 1 -22 13 34 o 66.21433 22.94993 139.5709       108.7079 597.6396       455.6035 111.9184       111.9410 112.5161 45.19860 62.08563 23.06353 50.43048       50.74289 
1 1 1 -22 13 35 o 165.1900 11.69038 833.2809       112.5248 491.1517       459.6406 855.0927       116.0563 103.2543 43.77521 167.2216 11.91184 -63.96738      45.36695 
1 1 1 -22 13 36 o 161.5599 12.41285 803.1672       116.7122 1069.278       464.0397 785.1965       120.5886 141.0766 47.45074 159.3639 13.01552 -18.28734      49.20343 
1 1 1 -22 13 37 o 93.13111 23.83978 308.9461       130.7489 572.2656       452.1429 284.9172       136.5843 104.1190 43.73983 88.60500 25.13018 15.51405       50.44500 
1 1 1 -22 13 38 o 57.93368 22.78783 91.39793       113.4834 -277.1230      433.9285 118.4536       117.5754 68.18106 33.26387 62.05273 23.51292 6.128330       40.73503 
1 1 1 -22 13 39 o 67.36118 23.66043 156.9146       115.7605 342.7307       436.3176 142.8445       120.0633 88.43423 39.85731 65.34669 23.95389 23.08755       46.50155 
1 1 1 -22 13 40 o 68.16950 24.12090 163.4696       120.4771 2.740155       356.4507 184.1990       128.0106 70.69460 33.29473 71.39133 24.89484 -0.6967316     41.57273 
1 1 1 -22 13 41 o 103.2571 20.77383 373.3330       121.4398 245.6536       361.0697 389.6183       128.9521 80.50732 36.27363 104.7737 21.70035 -24.26634      42.26915 
1 1 1 -22 13 42 o 76.25679 24.74166 219.6680       126.5212 249.4422       390.6501 216.1788       133.7291 80.50915 36.84110 75.40198 25.47312 5.107170       44.79003 
1 1 1 -22 14 1  o 242.9803 22.27201 1785.416       313.8542 0.000000       0.000000 1785.416       313.8542 ?        ?        242.9803 22.27201 0.000000       22.27201 
1 1 1 -22 14 2  o 187.0285 15.45965 1044.155       168.0602 1027.632       192.2642 1097.663       345.9971 184.9673 17.94902 186.4186 32.84658 -1.451324      37.43081 
1 1 1 -22 14 3  o 241.9064 19.99913 1759.828       281.1995 0.000000       0.000000 1759.828       281.1995 ?        ?        241.9064 19.99913 0.000000       19.99913 
1 1 1 -22 14 4  o 273.8536 22.15242 2264.363       352.7525 0.000000       0.000000 2264.363       352.7525 ?        ?        273.8536 22.15242 0.000000       22.15242 
1 1 1 -22 14 5  o 146.1577 16.41681 642.1744       138.2917 639.2712       165.9955 648.7606       250.0234 144.9612 20.06234 143.0314 30.72261 1.929794       36.69299 
1 1 1 -22 14 6  f 220.3283 11.68493 1436.845       150.4497 1468.470       187.2502 1379.244       252.7092 222.2076 14.44687 213.8253 20.39860 8.382309       24.99629 
1 1 1 -22 14 7  o 115.2679 19.10927 406.4557       124.6604 406.8304       149.6327 405.6057       225.3814 114.3876 23.10122 113.2179 32.33812 1.169632       39.74192 
1 1 1 -22 14 8  o 80.79203 23.04839 201.3467       114.5588 248.7443       133.1694 66.42629       224.6804 89.38176 24.62130 75.74239 31.24295 13.63937       39.77852 
1 1 1 -22 14 9  o 298.5242 10.88993 2631.764       190.3385 2863.577       262.7719 2375.877       276.0793 310.5907 14.46554 282.2446 16.75391 28.34607       22.13471 
1 1 1 -22 14 10 o 197.2661 13.04983 1155.462       150.1273 1267.799       189.0968 963.9332       246.9096 206.1052 15.76350 177.2439 24.39960 28.86130       29.04873 
1 1 1 -22 14 11 o 63.69690 24.38819 86.15485       127.3229 172.7947       148.3610 -156.0102      248.0371 78.30136 26.82436 63.83135 29.26416 14.47001       39.69808 
1 1 1 -22 14 12 f 119.6557 18.91561 437.0144       128.3338 446.7833       150.7527 411.3002       244.5846 120.2117 22.20058 114.1631 33.99983 6.048630       40.60608 
1 1 1 -22 14 13 o 230.6569 12.31599 1576.096       166.0004 1545.711       209.0325 1627.976       273.1441 227.6828 15.75137 232.4690 20.23584 -4.786179      25.64361 
1 1 1 -22 14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 14 15 o 370.4197 17.85513 4098.403       386.7468 3751.380       644.1401 4294.019       483.6185 347.4334 31.97069 377.4383 21.94235 -30.00482      38.77617 
1 1 1 -22 14 16 o 357.8080 11.89326 3786.675       249.2285 4143.924       299.7624 2986.807       448.5394 373.8078 13.69661 313.2481 24.61283 60.55969       28.16715 
1 1 1 -22 14 17 o 347.0172 10.00193 3553.959       203.3443 3456.452       274.1677 3673.177       303.1570 341.2542 13.72698 351.4865 14.73918 -10.23227      20.14134 
1 1 1 -22 14 18 o 200.8295 12.20986 1197.520       143.1304 1188.185       180.3798 1213.391       235.1883 199.2777 15.55721 200.0095 20.33232 -0.7317352     25.60137 
1 1 1 -22 14 19 o 162.6889 14.48628 792.3787       136.7742 758.2247       168.3080 858.7920       234.6994 158.0938 18.50219 166.3232 24.81913 -8.229446      30.95675 
1 1 1 -22 14 20 o 284.1609 10.57507 2389.179       175.9300 2589.415       236.7601 2142.303       262.8918 294.9565 13.72437 267.2002 16.86205 27.75635       21.74136 
1 1 1 -22 14 21 o 185.7018 12.55756 1027.628       135.9598 1041.357       169.9594 1003.229       226.5767 186.1134 15.71781 180.6137 21.83270 5.499710       26.90198 
1 1 1 -22 14 22 o 185.8603 12.85232 1030.927       139.2309 997.5842       175.4656 1087.609       228.7808 181.7468 16.64638 188.2476 21.08420 -6.500748      26.86346 
1 1 1 -22 14 23 f 309.6702 10.04116 2838.824       182.1206 2894.607       253.6012 2779.419       261.7048 311.3541 13.92343 304.7771 14.68448 6.576996       20.23600 
1 1 1 -22 14 24 o 303.3764 10.22521 2727.003       181.6702 2700.911       251.8416 2755.312       262.3195 300.4314 14.33462 303.2514 14.79414 -2.819977      20.59971 
1 1 1 -22 14 25 o 143.5880 15.71956 625.6946       130.2151 625.6776       165.3975 625.7223       211.1864 141.9810 20.45232 139.4095 26.80328 2.571472       33.71518 
1 1 1 -22 14 26 o 240.8943 11.23961 1728.049       158.3541 1763.621       213.2105 1684.286       236.4870 241.8938 15.10449 235.4036 17.24920 6.490189       22.92773 
1 1 1 -22 14 27 o 177.8449 13.31046 951.8287       137.8235 985.6594       187.9689 912.4931       202.6858 179.0768 18.14794 171.1153 20.61147 7.961502       27.46234 
1 1 1 -22 14 28 o 192.9655 13.95368 1126.558       156.8468 939.8978       181.1875 1684.652       313.2972 174.3894 17.97278 230.1213 23.54552 -55.73190      29.62115 
1 1 1 -22 14 29 o 72.86162 23.02146 169.4344       110.0813 239.9663       146.3996 77.67882       166.9796 85.16301 26.49767 65.90546 27.03291 19.25755       37.85372 
1 1 1 -22 14 30 o 131.4810 15.11356 533.7662       114.4244 489.9071       152.7516 589.8443       172.7239 122.5606 22.06246 134.3487 22.73128 -11.78809      31.67749 
1 1 1 -22 14 31 o 121.9589 16.13707 465.1804       112.5924 468.3329       157.9118 461.9205       160.5812 118.4780 23.55589 117.2962 24.14826 1.181824       33.73453 
1 1 1 -22 14 32 o 43.65826 19.36643 -18.71916      98.73230 -516.4905      450.8017 6.360721       101.1890 68.36787 33.47206 46.87574 20.21982 21.49213       39.10525 
1 1 1 -22 14 33 o 63.94203 22.39322 126.7159       103.6423 -63.13389      455.4148 137.0856       106.4352 81.15929 38.03680 65.86004 22.71442 15.29926       44.30285 
1 1 1 -22 14 34 o 106.1867 19.26364 370.1556       115.5495 362.7511       463.5971 370.6461       119.3150 97.70327 42.69935 105.8660 19.94868 -8.162720      47.12944 
1 1 1 -22 14 35 o 73.39284 22.95273 184.6073       109.6985 0.000000       0.000000 184.6073       109.6985 ?        ?        73.39284 22.95273 0.000000       22.95273 
1 1 1 -22 14 36 o 197.1174 10.96445 1183.212       126.2547 1196.636       498.9620 1182.293       130.5016 144.9145 49.20246 196.7770 11.35637 -51.86246      50.49603 
1 1 1 -22 14 37 o 80.30790 22.34825 226.9874       109.0990 -587.7611      449.4619 277.9971       112.4624 62.69006 31.18481 89.35007 21.68400 -26.66001      37.98273 
1 1 1 -22 14 38 o 132.3874 15.44217 561.2739       117.6474 498.5972       420.7094 566.5909       122.5360 97.48388 41.62318 132.5544 16.09146 -35.07052      44.62538 
1 1 1 -22 14 39 o 48.00042 21.37444 -4.223463      121.4392 -629.7468      462.4905 42.09784       125.8553 61.45829 30.73665 53.18098 22.73783 8.277317       38.23285 
1 1 1 -22 14 40 o 65.05953 23.88742 144.3633       119.4745 645.8403       402.7270 95.96953       125.1065 103.8274 42.21117 58.87587 23.67309 44.95156       48.39626 
1 1 1 -22 14 41 o 131.0291 17.72503 572.3826       132.7190 906.2662       407.1104 532.6786       140.3886 120.9240 44.14358 124.4882 19.89858 -3.564117      48.42117 
1 1 1 -22 14 42 o 76.82833 25.26144 226.5038       131.6826 -114.0477      430.9660 261.5725       138.2966 68.79776 33.47190 81.91179 25.79350 -13.11403      42.25723 
1 1 1 -22 15 1  o 285.1736 32.69317 2531.880       536.9105 0.000000       0.000000 2531.880       536.9105 ?        ?        285.1736 32.69317 0.000000       32.69317 
1 1 1 -22 15 2  o 270.9486 20.12227 2205.307       317.4703 0.000000       0.000000 2205.307       317.4703 ?        ?        270.9486 20.12227 0.000000       20.12227 
1 1 1 -22 15 3  o 256.0112 14.63380 1947.616       218.8033 2090.599       242.6294 1324.982       506.3109 265.0172 15.68066 200.1440 44.30607 64.87314       46.99905 
1 1 1 -22 15 4  o 81.06228 23.40668 202.2596       117.4669 234.2393       133.4131 91.95769       247.7724 86.99476 24.89064 80.93762 33.03266 6.057137       41.36061 
1 1 1 -22 15 5  o 327.2376 11.02133 3161.921       211.2163 3134.625       286.8123 3194.266       312.2113 324.8421 15.09608 327.5765 16.30242 -2.734375      22.21847 
1 1 1 -22 15 6  o 121.6110 17.47932 448.5887       121.0886 391.7374       137.9458 639.4880       252.7787 112.5236 21.68963 141.8496 31.23204 -29.32603      38.02473 
1 1 1 -22 15 7  o 171.7785 13.78417 878.6525       137.7026 1008.751       164.5926 575.1705       251.3859 183.8015 15.41077 134.1718 32.33068 49.62964       35.81570 
1 1 1 -22 15 8  o 181.6302 14.20208 982.5640       150.0811 1108.517       183.6212 729.0884       260.4874 192.5091 16.42037 151.9482 30.29420 40.56091       34.45819 
1 1 1 -22 15 9  o 91.30367 23.50494 260.3253       126.6081 313.9588       150.2777 129.1452       235.0229 100.0238 25.53391 82.68021 32.70931 17.34357       41.49554 
1 1 1 -22 15 10 o 184.4940 13.28615 1011.734       142.7952 1115.896       171.9151 779.9744       256.4349 193.4010 15.28078 157.7665 28.77469 35.63448       32.58044 
1 1 1 -22 15 11 o 525.6644 12.24079 8162.003       377.3712 8046.417       583.6898 8245.019       494.6592 518.8479 19.21509 526.7334 16.03136 -7.885498      25.02448 
1 1 1 -22 15 12 o 257.1897 19.22923 1985.389       287.9459 0.000000       0.000000 1985.389       287.9459 ?        ?        257.1897 19.22923 0.000000       19.22923 
1 1 1 -22 15 13 o 247.9694 12.07928 1820.548       175.1383 2059.228       229.9088 1490.540       270.3402 263.1068 14.96121 222.0765 21.00633 41.03030       25.78960 
1 1 1 -22 15 14 o 278.2463 11.50692 2289.641       187.3703 2454.726       251.0311 2081.975       281.5504 287.2978 14.95001 263.5749 18.32802 23.72293       23.65204 
1 1 1 -22 15 15 o 207.0713 12.30402 1271.948       148.7493 1190.977       187.0530 1411.238       245.3341 199.5182 16.12292 216.3391 19.54691 -16.82089      25.33832 
1 1 1 -22 15 16 o 507.7107 15.10046 7662.830       449.1322 7662.830       449.1322 0.000000       0.000000 507.7107 15.10046 ?        ?        0.000000       15.10046 
1 1 1 -22 15 17 o 90.49307 21.84484 256.5179       114.6054 135.6969       134.9104 569.7385       217.2199 71.37131 25.49685 133.8656 28.54044 -62.49431      38.27070 
1 1 1 -22 15 18 o 132.7274 16.58128 533.2212       126.2634 514.4518       152.6544 573.8723       224.6571 129.1908 20.85806 133.9334 29.40810 -4.742599      36.05406 
1 1 1 -22 15 19 o 170.6674 14.09523 871.3017       139.8258 1060.161       178.0307 567.2388       225.8953 187.7751 16.32833 132.7832 29.74731 54.99187       33.93401 
1 1 1 -22 15 20 o 118.1556 18.53592 429.0239       124.2232 531.7761       150.3977 208.4351       220.3624 131.3267 20.17109 88.04749 32.42216 43.27922       38.18468 
1 1 1 -22 15 21 o 124.0103 17.69720 470.5587       125.0633 447.4452       154.8285 513.9524       212.1443 119.2787 22.96610 125.9298 29.28065 -6.651123      37.21288 
1 1 1 -22 15 22 o 142.4588 15.48712 613.6566       127.3130 635.6348       158.8445 574.1755       212.8972 143.8518 19.31579 133.4451 28.09292 10.40674       34.09270 
1 1 1 -22 15 23 o 376.2686 9.949491 4190.513       219.3654 4052.635       308.7810 4331.009       311.6985 368.1916 14.32702 380.8172 13.97994 -12.62561      20.01755 
1 1 1 -22 15 24 o 304.3927 10.15383 2746.181       181.0116 2800.218       255.7681 2691.958       256.2105 305.7894 14.30139 299.6662 14.62251 6.123169       20.45354 
1 1 1 -22 15 25 o 177.8195 13.27819 948.9778       137.4744 797.6179       182.5334 1147.365       208.9745 160.6590 19.79033 193.5778 18.63727 -32.91875      27.18464 
1 1 1 -22 15 26 o 437.0143 13.11269 5715.042       335.6962 5274.542       429.6683 6405.239       537.8314 416.4529 17.63196 456.5344 20.13687 -40.08148      26.76527 
1 1 1 -22 15 27 o 112.1062 20.78656 399.7542       131.6356 520.4598       157.4769 119.7952       239.8282 127.8498 21.78242 78.83878 32.37421 49.01103       39.02003 
1 1 1 -22 15 28 o 195.8716 12.88904 1157.911       147.2388 1334.660       179.5616 795.1582       257.2410 209.4696 14.70997 152.9507 29.74861 56.51888       33.18679 
1 1 1 -22 15 29 o 172.5967 12.32418 900.6302       123.9292 739.9548       165.9235 1103.366       186.3795 153.2819 18.85399 188.6569 17.02826 -35.37500      25.40541 
1 1 1 -22 15 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 15 31 o 56.78220 21.74895 81.15177       101.2824 139.5186       462.7946 78.21566       103.7987 91.37542 41.12755 56.68512 21.93727 34.69030       46.61244 
1 1 1 -22 15 32 o 219.9654 10.12165 1453.983       130.2238 1327.278       477.8680 1464.147       135.3463 171.7919 46.36286 220.5351 10.49461 -48.74321      47.53579 
1 1 1 -22 15 33 o 124.4572 15.54152 486.9443       110.9739 1174.957       507.9589 452.4601       113.7210 150.9607 49.61333 119.3030 16.71087 31.65768       52.35204 
1 1 1 -22 15 34 o 102.8702 23.83098 368.4659       140.9503 0.000000       0.000000 368.4659       140.9503 ?        ?        102.8702 23.83098 0.000000       23.83098 
1 1 1 -22 15 35 o 38.65785 18.36349 -112.1350      112.9027 -532.8825      463.9662 -85.65201      116.4017 66.10115 32.66965 41.20177 19.28417 24.89938       37.93660 
1 1 1 -22 15 36 o 70.85000 22.72112 173.0721       106.9019 223.5157       440.8313 169.9203       110.1909 86.73212 39.47624 70.29994 23.10790 16.43217       45.74220 
1 1 1 -22 15 37 o 191.0871 11.94768 1124.930       133.2253 721.7822       451.5919 1163.362       139.4309 110.8614 44.83431 194.0448 12.31553 -83.18340      46.49503 
1 1 1 -22 15 38 o 56.71483 22.83667 81.92083       116.6007 -51.66648      455.0758 91.30704       120.6275 74.60632 35.82558 58.32820 23.31624 16.27813       42.74482 
1 1 1 -22 15 39 o 90.63377 22.78768 296.0894       120.9828 201.3403       459.3060 303.1534       125.4116 82.19485 38.41716 91.32838 23.33218 -9.133530      44.94740 
1 1 1 -22 15 40 o 95.99628 23.29361 337.2679       129.7926 464.5782       421.5139 323.9326       136.4210 91.61427 40.35496 92.87496 24.64203 -1.260696      47.28374 
1 1 1 -22 15 41 o 90.87312 23.55867 306.0310       126.5862 153.4433       409.7894 322.1273       133.0955 77.17749 36.14185 92.74438 24.21328 -15.56689      43.50306 
1 1 1 -22 16 1  o 409.7050 27.91489 5122.708       666.7390 0.000000       0.000000 5122.708       666.7390 ?        ?        409.7050 27.91489 0.000000       27.91489 
1 1 1 -22 16 2  f 277.9543 12.31056 2286.047       200.1811 1987.909       243.6202 2905.763       351.2383 258.2982 16.16306 311.4967 19.32151 -53.19852      25.19058 
1 1 1 -22 16 3  o 256.6873 12.34862 1950.416       185.3521 1606.956       226.3309 2649.854       322.9833 231.9824 16.74835 297.6335 18.59616 -65.65111      25.02647 
1 1 1 -22 16 4  o 329.9218 17.91792 3249.517       345.3951 0.000000       0.000000 3249.517       345.3951 ?        ?        329.9218 17.91792 0.000000       17.91792 
1 1 1 -22 16 5  o 101.1615 23.13843 319.4755       134.2891 266.8857       156.3374 467.4789       262.2696 92.79350 27.06470 121.1871 34.96945 -28.39357      44.21946 
1 1 1 -22 16 6  o 305.1458 11.54122 2751.665       206.1703 3142.744       282.7529 2307.703       301.2644 325.3354 14.85844 277.6526 18.60845 47.68277       23.81277 
1 1 1 -22 16 7  o 134.7433 33.80907 582.3654       266.7015 0.000000       0.000000 582.3654       266.7015 ?        ?        134.7433 33.80907 0.000000       33.80907 
1 1 1 -22 16 8  o 117.2635 19.06992 420.2232       126.6461 452.8330       147.4688 328.5876       247.2054 121.2286 21.53041 104.5456 34.62208 16.68298       40.77066 
1 1 1 -22 16 9  o 354.2900 11.02011 3705.888       228.7003 3529.008       310.9258 3914.392       337.5778 344.6002 15.42385 362.8135 15.90363 -18.21332      22.15447 
1 1 1 -22 16 10 f 407.7415 11.40061 4909.929       272.3560 4523.049       378.3030 5326.229       392.4240 389.7871 16.58654 423.3127 15.83471 -33.52551      22.93145 
1 1 1 -22 16 11 o 331.8531 11.27951 3253.486       219.2072 3269.002       300.3086 3235.790       320.7075 331.5604 15.48660 329.5128 16.64930 2.047607       22.73838 
1 1 1 -22 16 12 o 47.45503 21.37164 -58.86165      125.1741 12.46542       147.5396 -242.0917      236.4721 58.61810 24.82413 57.49403 27.09028 1.124069       36.74399 
1 1 1 -22 16 13 o 258.8410 29.46749 2076.407       439.3729 0.000000       0.000000 2076.407       439.3729 ?        ?        258.8410 29.46749 0.000000       29.46749 
1 1 1 -22 16 14 o 185.5342 13.53661 1024.729       146.2803 1087.401       179.2369 899.7237       253.1368 190.5551 16.19140 170.2658 26.18769 20.28925       30.78890 
1 1 1 -22 16 15 o 477.1903 11.47945 6727.949       321.2650 6806.104       504.5643 6674.662       416.6337 476.9888 18.06940 473.8052 15.01248 3.183594       23.49208 
1 1 1 -22 16 16 o 411.1598 22.68040 5125.210       544.7863 0.000000       0.000000 5125.210       544.7863 ?        ?        411.1598 22.68040 0.000000       22.68040 
1 1 1 -22 16 17 o 270.3307 12.75810 2169.782       201.6995 2029.770       226.9210 2696.686       440.2076 260.8544 14.89481 296.1818 25.59331 -35.32742      29.61204 
1 1 1 -22 16 18 o 157.7640 14.74594 746.8436       134.8559 606.0199       169.2210 991.9275       223.2409 140.1801 21.24874 179.9143 21.58779 -39.73424      30.29095 
1 1 1 -22 16 19 o 243.5154 11.27637 1758.884       160.6074 1884.598       209.0316 1577.719       250.9327 251.2496 14.24422 228.2366 18.91630 23.01295       23.67962 
1 1 1 -22 16 20 o 187.6727 13.01769 1051.306       142.3920 1213.571       178.6277 768.4725       235.8308 201.0637 15.26234 155.7249 26.78791 45.33882       30.83068 
1 1 1 -22 16 21 o 298.8325 10.49514 2645.668       183.6505 2898.156       256.5482 2380.292       263.0145 311.5301 14.07803 281.5179 15.99609 30.01221       21.30882 
1 1 1 -22 16 22 o 188.8682 12.80492 1065.568       140.9973 1295.240       183.6041 735.4243       220.1298 207.5742 15.18709 152.3849 25.53372 55.18929       29.70889 
1 1 1 -22 16 23 o 314.9687 10.11107 2939.448       186.5315 2860.774       255.3357 3029.485       273.1557 309.2080 14.11749 317.9527 14.68832 -8.744629      20.37279 
1 1 1 -22 16 24 o 137.5026 17.03552 578.4902       134.4419 613.2510       171.7864 523.5502       215.9672 139.9482 21.62656 125.8710 29.73256 14.07716       36.76592 
1 1 1 -22 16 25 o 146.4428 18.23212 660.8923       153.2053 729.7937       176.4594 449.9305       308.7683 153.2152 20.12380 114.8410 38.70665 38.37414       43.62536 
1 1 1 -22 16 26 o 160.3048 14.76740 780.1578       137.2763 854.0892       183.1287 685.3248       207.4062 165.9283 19.17066 145.5563 25.20897 20.37207       31.67027 
1 1 1 -22 16 27 o 247.2141 12.70225 1838.765       183.5464 1611.894       221.0563 2342.378       329.3531 229.3945 16.54230 273.5869 20.67967 -44.19235      26.48200 
1 1 1 -22 16 28 o 328.1960 11.84454 3236.167       227.6089 2916.855       281.7607 3835.886       386.1415 308.8455 15.60625 351.0585 18.82380 -42.21307      24.45180 
1 1 1 -22 16 29 o 64.62437 21.78845 128.8545       97.83937 830.8323       452.2294 94.38365       100.2128 137.4926 46.83921 59.00576 21.84002 78.48683       51.68073 
1 1 1 -22 16 30 o 126.9520 15.63710 502.0873       113.9677 1069.538       480.8024 468.3063       117.3109 152.6179 48.09842 121.9886 16.84639 30.62925       50.96331 
1 1 1 -22 16 31 f 66.37585 22.75057 138.4645       106.7233 -242.7101      431.4605 163.3061       110.1461 74.33319 35.47503 70.77253 23.09388 3.560661       42.32971 
1 1 1 -22 16 32 o 99.29238 20.20354 325.5648       113.6429 697.7352       489.7216 304.3828       116.8322 119.0359 47.17679 95.31023 21.42387 23.72569       51.81343 
1 1 1 -22 16 33 o 130.7942 14.58247 534.6666       109.9584 742.5102       497.5051 523.9921       112.7467 118.3353 47.33539 129.1457 15.17506 -10.81045      49.70837 
1 1 1 -22 16 34 o 88.74061 21.71987 269.9258       112.1080 608.3474       482.9024 250.6473       115.2569 108.6380 45.39079 84.99826 22.69488 23.63973       50.74821 
1 1 1 -22 16 35 o 50.38400 21.92163 13.67912       121.0353 -561.1536      478.6884 52.93932       125.1003 66.08380 32.75437 55.14802 23.07672 10.93578       40.06724 
1 1 1 -22 16 36 o 161.2225 13.49631 811.1201       126.4420 788.8910       480.0480 812.7772       131.0703 114.5701 46.26430 161.0094 14.02008 -46.43930      48.34199 
1 1 1 -22 16 37 o 119.6060 17.44563 469.3969       118.7725 430.2565       468.4435 472.0860       122.7847 93.47387 41.77785 119.4982 18.08481 -26.02431      45.52416 
1 1 1 -22 16 38 o 85.66840 23.69595 267.9369       123.0633 -191.8251      475.8261 300.8949       127.3978 71.49897 34.87165 90.89525 23.66903 -19.39628      42.14563 
1 1 1 -22 16 39 o 95.24831 22.30960 325.2890       122.4229 215.0799       488.9118 332.6613       126.4513 82.41299 38.86879 95.95588 22.80724 -13.54289      45.06610 
1 1 1 -22 16 40 o 146.8085 15.77954 699.7188       133.7312 339.4355       415.3715 741.3828       141.2522 85.27240 38.61680 150.7342 16.23405 -65.46178      41.89035 
1 1 1 -22 16 41 o 52.20493 22.82748 30.42140       132.6559 -7.760964      426.0981 34.51941       139.5933 71.75388 34.51012 53.47092 23.39807 18.28296       41.69435 
1 1 1 -22 17 1  o 365.0432 31.16435 4109.763       660.8203 0.000000       0.000000 4109.763       660.8203 ?        ?        365.0432 31.16435 0.000000       31.16435 
1 1 1 -22 17 2  o 207.6700 15.23517 1285.016       184.2631 1042.302       213.6246 1990.414       364.1835 185.8122 19.91343 255.8632 24.57125 -70.05106      31.62737 
1 1 1 -22 17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 17 4  o 371.7806 12.06579 4085.267       262.7346 4121.745       350.2654 4038.337       397.2867 372.3090 16.07934 367.6999 18.48225 4.609100       24.49773 
1 1 1 -22 17 5  o 357.6451 11.66788 3779.005       244.4068 3693.727       326.9016 3887.091       368.0286 352.4705 15.85466 361.0848 17.43037 -8.614288      23.56243 
1 1 1 -22 17 6  o 388.8606 11.51974 4466.067       262.4267 4358.949       361.9062 4584.843       381.0914 382.8430 16.15481 392.5047 16.59261 -9.661652      23.15799 
1 1 1 -22 17 7  o 184.8468 14.60268 1018.340       157.0201 944.6884       178.9354 1264.979       327.4443 177.3782 17.42535 202.0677 28.41440 -24.68948      33.33199 
1 1 1 -22 17 8  o 257.6501 11.94001 1964.302       179.9298 1932.501       226.5073 2018.688       296.2103 254.8344 15.22504 259.2452 19.62808 -4.410812      24.84076 
1 1 1 -22 17 9  o 186.2884 14.11368 1033.394       153.0499 1026.298       183.5159 1049.604       277.3731 184.9860 17.10929 184.3638 26.40605 0.6222076      31.46438 
1 1 1 -22 17 10 o 255.9116 11.92973 1938.336       178.5560 1959.143       226.4245 1904.118       290.3727 256.5727 15.11439 251.6004 19.83900 4.972290       24.94055 
1 1 1 -22 17 11 o 200.9771 12.73244 1199.053       149.3037 1206.087       180.5046 1183.817       265.6713 200.9987 15.43044 196.8641 23.47240 4.134659       28.09007 
1 1 1 -22 17 12 o 277.1143 11.36197 2271.138       184.2641 2399.611       244.4422 2102.056       280.4258 284.0492 14.72370 264.8195 18.16586 19.22977       23.38345 
1 1 1 -22 17 13 o 125.9022 44.52276 481.8729       410.4210 0.000000       0.000000 481.8729       410.4210 ?        ?        125.9022 44.52276 0.000000       44.52276 
1 1 1 -22 17 14 o 408.9121 11.12282 4942.310       266.4967 4855.488       389.5800 5018.668       365.3522 403.3910 16.50205 410.6604 15.19595 -7.269440      22.43289 
1 1 1 -22 17 15 o 233.1632 11.51704 1610.963       157.0020 1536.922       197.3536 1738.601       259.1195 226.9264 14.91154 240.3119 18.52843 -13.38550      23.78354 
1 1 1 -22 17 16 o 502.2617 23.25621 7670.479       683.1862 0.000000       0.000000 7670.479       683.1862 ?        ?        502.2617 23.25621 0.000000       23.25621 
1 1 1 -22 17 17 o 342.1963 13.08178 3479.517       262.0549 3720.901       322.6412 3011.579       449.2205 352.9029 15.62761 313.0669 24.66561 39.83597       29.19956 
1 1 1 -22 17 18 o 398.5522 10.91921 4702.643       254.9867 4488.515       371.7862 4892.819       350.3766 387.0504 16.41582 404.9458 14.77803 -17.89539      22.08776 
1 1 1 -22 17 19 o 149.5113 14.85650 673.0103       128.5474 526.1502       157.4373 966.7354       222.6519 130.1248 21.37115 177.0827 21.90537 -46.95792      30.60345 
1 1 1 -22 17 20 o 232.7576 11.71993 1610.603       159.4702 1693.634       208.9705 1494.826       246.7613 237.6541 15.07065 221.6878 19.16761 15.96629       24.38281 
1 1 1 -22 17 21 o 277.3276 10.67923 2280.870       173.3688 2241.594       231.3914 2331.137       261.7706 273.6493 14.46933 278.4063 16.10081 -4.756989      21.64712 
1 1 1 -22 17 22 o 36.55161 17.71880 -189.4865      117.8856 -208.9642      143.2790 -148.6713      207.4081 41.20965 19.86827 56.59362 26.23563 -15.38397      32.90983 
1 1 1 -22 17 23 o 214.6748 11.84984 1374.300       148.6128 1277.372       193.5745 1513.442       231.9267 205.4548 16.19591 223.0051 17.88290 -17.55034      24.12687 
1 1 1 -22 17 24 o 291.8890 10.40212 2531.056       177.7851 2602.088       246.3252 2453.819       256.8576 294.2773 14.31550 285.2042 15.41355 9.073120       21.03594 
1 1 1 -22 17 25 o 223.5440 16.10700 1518.854       209.7522 1385.852       604.8381 1537.036       223.6301 183.3092 53.16776 224.3753 17.12371 -41.06612      55.85724 
1 1 1 -22 17 26 o 228.9124 15.02074 1591.693       200.5418 1018.820       564.0895 1674.573       214.5587 153.6395 52.31284 234.4512 15.69466 -80.81177      54.61644 
1 1 1 -22 17 27 o 159.1834 14.35999 773.1963       132.6210 999.4265       184.1846 529.6176       191.1163 179.3945 17.73821 125.4951 26.78296 53.89944       32.12430 
1 1 1 -22 17 28 o 38.54835 17.94547 -77.63947      98.62539 -474.1424      469.6264 -59.34550      100.8749 72.56622 35.22133 40.60995 18.63454 31.95627       39.84706 
1 1 1 -22 17 29 o 199.6440 10.13765 1195.233       118.3097 1097.114       475.7299 1201.702       122.1472 156.3310 47.61068 200.0480 10.44735 -43.71703      48.74345 
1 1 1 -22 17 30 o 204.3508 10.73750 1257.598       128.2341 1311.838       495.1038 1253.697       132.7645 169.9201 47.72614 203.8246 11.14890 -33.90448      49.01104 
1 1 1 -22 17 31 o 139.3951 17.44248 616.4373       139.4829 0.000000       0.000000 616.4373       139.4829 ?        ?        139.3951 17.44248 0.000000       17.44248 
1 1 1 -22 17 32 o 273.0781 8.950116 2232.676       143.1459 1515.510       531.1680 2288.840       148.6454 174.5309 49.57692 276.3444 9.184471 -101.8135      50.42048 
1 1 1 -22 17 33 o 107.4904 19.52848 381.9782       118.5756 584.8506       493.1797 369.5313       122.1589 107.7571 45.49786 105.0614 20.56232 2.695717       49.92860 
1 1 1 -22 17 34 o 41.13894 19.08123 -67.69546      109.9316 -497.5183      460.7501 -41.75018      113.2009 66.51788 32.81592 43.91953 19.99560 22.59835       38.42796 
1 1 1 -22 17 35 o 126.3174 18.53832 524.7297       133.2516 827.4114       477.4510 499.1620       138.7655 118.4943 46.70081 122.0527 20.08374 -3.558372      50.83623 
1 1 1 -22 17 36 o 51.24157 22.35523 17.79140       126.5966 370.9557       447.0682 -12.99601      131.9994 91.55802 40.87500 49.31892 22.10006 42.23910       46.46695 
1 1 1 -22 17 37 o 47.90232 21.02568 8.001626       113.4952 557.4339       463.4062 -27.05821      117.0603 98.65517 42.90940 45.29506 20.50766 53.36011       47.55819 
1 1 1 -22 17 38 o 130.3065 16.34616 552.4686       122.1787 -35.48260      480.2139 593.1622       126.3361 75.35366 36.34090 135.1281 16.26846 -59.77442      39.81613 
1 1 1 -22 17 39 o 104.2676 21.81701 386.3136       129.1203 56.19440       450.7557 415.8230       134.7678 75.70222 36.16441 108.1268 22.00156 -32.42454      42.33123 
1 1 1 -22 17 40 o 61.68796 24.51853 116.6394       132.6363 -248.1032      432.0821 154.5849       139.3649 66.07307 32.43491 66.81594 25.53202 -0.7428741     41.27841 
1 1 1 -22 18 1  o 415.7614 31.22444 5328.476       755.7961 0.000000       0.000000 5328.476       755.7961 ?        ?        415.7614 31.22444 0.000000       31.22444 
1 1 1 -22 18 2  o 497.2760 17.97273 7372.037       523.2958 0.000000       0.000000 7372.037       523.2958 ?        ?        497.2760 17.97273 0.000000       17.97273 
1 1 1 -22 18 3  o 340.9430 19.80041 3483.711       394.2156 0.000000       0.000000 3483.711       394.2156 ?        ?        340.9430 19.80041 0.000000       19.80041 
1 1 1 -22 18 4  f 445.2515 13.83037 5872.665       360.7137 6083.172       466.0682 5558.217       569.6265 451.7562 17.62499 429.4990 22.69455 22.25723       28.73470 
1 1 1 -22 18 5  o 369.6351 22.82217 4122.563       492.3314 0.000000       0.000000 4122.563       492.3314 ?        ?        369.6351 22.82217 0.000000       22.82217 
1 1 1 -22 18 6  o 131.2384 18.99797 524.0313       141.9756 455.3262       161.9524 752.1281       295.0887 121.0080 23.66861 153.2204 33.75188 -32.21246      41.22369 
1 1 1 -22 18 7  o 212.4519 12.84707 1339.189       159.3239 1361.538       191.3530 1288.681       287.6674 213.6910 15.37127 205.3122 24.36502 8.378815       28.80851 
1 1 1 -22 18 8  o 78.83932 24.57581 187.4279       125.8697 274.1450       143.6059 -100.0250      261.4588 93.60374 25.48112 69.02617 31.00352 24.57757       40.13110 
1 1 1 -22 18 9  o 238.1695 11.96815 1679.905       166.6363 1711.461       207.9185 1623.237       278.6270 239.7693 14.85896 231.8449 20.70938 7.924332       25.48857 
1 1 1 -22 18 10 o 161.4765 14.66237 779.5151       137.3434 791.8835       166.0472 752.7243       244.3819 162.0510 17.76217 154.9240 27.92375 7.127029       33.09427 
1 1 1 -22 18 11 o 412.0638 11.19586 5017.313       270.3148 5217.443       402.0965 4852.284       365.1363 418.3877 16.41893 403.8365 15.44544 14.55118       22.54202 
1 1 1 -22 18 12 o 186.5916 12.83910 1035.401       139.6439 1032.523       166.7635 1042.153       255.4652 185.7547 15.44740 183.9963 24.26492 1.758423       28.76470 
1 1 1 -22 18 13 o 231.8764 11.78912 1593.802       159.7942 1681.097       199.9129 1439.342       265.9216 237.5344 14.41830 217.7249 21.08924 19.80942       25.54688 
1 1 1 -22 18 14 o 299.8098 13.01121 2668.592       228.2331 2738.875       262.9676 2454.013       459.4846 303.1849 14.83421 281.1443 28.24952 22.04062       31.90751 
1 1 1 -22 18 15 o 571.3619 12.55323 9672.997       420.6465 9415.129       666.9818 9843.301       542.0355 558.6373 20.39214 574.2368 16.11074 -15.59949      25.98837 
1 1 1 -22 18 16 o 519.6958 24.29125 8267.954       738.3228 0.000000       0.000000 8267.954       738.3228 ?        ?        519.6958 24.29125 0.000000       24.29125 
1 1 1 -22 18 17 o 185.8317 13.41477 1031.458       145.2180 772.5917       179.2977 1525.071       247.5882 158.9264 19.65507 224.2894 19.00084 -65.36301      27.33777 
1 1 1 -22 18 18 o 266.2084 17.32450 2135.653       269.0094 0.000000       0.000000 2135.653       269.0094 ?        ?        266.2084 17.32450 0.000000       17.32450 
1 1 1 -22 18 19 o 185.3515 13.72720 1028.495       148.1615 895.2372       186.6891 1255.242       243.5246 171.2616 18.90099 202.3383 20.81848 -31.07664      28.11862 
1 1 1 -22 18 20 o 318.2313 10.37355 3000.491       193.3481 3179.917       268.7281 2807.918       278.3994 326.2205 14.07910 305.8694 15.57087 20.35110       20.99222 
1 1 1 -22 18 21 o 85.23317 24.28724 230.7637       127.2775 153.4733       156.3139 382.8158       219.2456 75.22602 27.36971 107.9475 32.20061 -32.72150      42.26086 
1 1 1 -22 18 22 o 228.2323 11.61989 1551.823       155.0238 1546.528       203.4155 1559.160       239.4357 226.5069 15.40437 226.2316 18.19962 0.2752686      23.84367 
1 1 1 -22 18 23 o 168.8081 13.93720 858.6546       136.7526 858.7275       176.7706 858.5460       215.8160 167.2135 18.32536 165.1770 22.89305 2.036499       29.32423 
1 1 1 -22 18 24 o 170.3905 13.53119 875.2101       134.1076 954.1755       174.2701 760.5428       210.0024 176.5913 17.03817 154.3504 23.97660 22.24092       29.41388 
1 1 1 -22 18 25 o 276.4023 10.03785 2274.421       162.4467 2345.349       225.3162 2197.645       234.4230 278.8269 13.82175 269.2726 14.90235 9.554352       20.32537 
1 1 1 -22 18 26 o 228.4381 9.417903 1554.051       125.9044 1090.391       507.2862 1584.487       129.9711 159.7842 49.25952 230.5869 9.632056 -70.80266      50.19239 
1 1 1 -22 18 27 o 76.26356 24.75335 188.5767       126.6338 -949.2836      481.1757 273.2513       131.2610 63.39876 31.65277 90.31684 24.26590 -26.91808      39.88397 
1 1 1 -22 18 28 o 136.4912 14.25328 572.9780       112.4162 419.1866       469.8737 582.3154       115.7786 107.2975 44.79831 137.4622 14.58357 -30.16471      47.11230 
1 1 1 -22 18 29 o 78.16515 22.44226 203.8771       108.2760 -148.6418      481.4185 222.6592       111.1231 81.46564 38.46685 81.52796 22.50410 -0.6232452E-01 44.56605 
1 1 1 -22 18 30 o 84.22639 22.40207 239.2747       112.5733 62.03761       481.6530 249.5159       115.7800 88.01996 40.50988 85.90630 22.65868 2.113655       46.41623 
1 1 1 -22 18 31 o 93.20220 20.84442 290.3305       111.0779 -14.05482      496.5837 306.3625       113.9656 84.52250 39.64681 95.78361 20.87835 -11.26111      44.80820 
1 1 1 -22 18 32 o 101.7290 18.76650 339.5368       107.8401 1063.717       474.4409 300.0837       110.7387 142.4288 47.97994 94.53009 20.56123 47.89876       52.19999 
1 1 1 -22 18 33 o 56.05365 22.84662 66.49410       118.3351 765.7350       452.8758 15.25418       122.5942 119.5648 45.94054 51.00654 22.12849 68.55823       50.99219 
1 1 1 -22 18 34 o 70.90740 23.48592 172.7141       113.7527 579.7791       477.5564 148.2288       117.1239 104.7148 44.51619 67.02521 23.77643 37.68964       50.46791 
1 1 1 -22 18 35 o 134.3960 17.00493 585.4634       131.0375 739.1191       478.0612 572.9811       136.2560 111.2081 45.69157 132.1730 18.04871 -20.96492      49.12714 
1 1 1 -22 18 36 o 74.26924 24.61282 198.9559       124.9261 539.3155       452.3002 170.8464       129.9824 98.72701 42.66796 69.96537 25.02318 28.76164       49.46428 
1 1 1 -22 18 37 o 156.0340 13.25477 763.3821       120.1479 -419.7640      481.7390 841.8583       124.0685 66.64260 33.00071 164.1017 12.99741 -97.45910      35.46801 
1 1 1 -22 18 38 o 98.99506 23.71047 358.9603       135.8434 -49.85452      450.2495 399.9002       142.4830 73.00412 35.20305 104.6334 23.76267 -31.62928      42.47257 
1 1 1 -22 18 39 o 117.7532 19.67327 475.6880       131.0729 167.7562       491.1199 499.3034       136.0061 79.86753 38.04139 120.4483 19.95121 -40.58080      42.95577 
1 1 1 -22 18 40 o 135.0523 18.56503 617.0714       143.1574 -272.3601      452.2979 716.0943       150.9162 66.08987 32.58746 146.1579 17.98491 -80.06798      37.22095 
1 1 1 -22 19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 19 2  o 406.5610 13.06857 4893.027       311.2000 4369.584       365.9608 6260.086       591.4167 383.1579 16.32310 455.9995 22.18112 -72.84164      27.53989 
1 1 1 -22 19 3  o 201.0379 13.50008 1201.190       158.2486 1020.498       179.0867 1844.912       338.0205 184.5383 16.72883 246.3558 23.68694 -61.81752      28.99871 
1 1 1 -22 19 4  o 322.9192 11.63747 3082.634       220.0352 2782.485       273.6578 3631.564       370.0817 305.8647 15.30417 348.5688 18.16602 -42.70419      23.75336 
1 1 1 -22 19 5  o 194.6886 28.34026 1177.923       314.0981 0.000000       0.000000 1177.923       314.0981 ?        ?        194.6886 28.34026 0.000000       28.34026 
1 1 1 -22 19 6  o 72.50842 24.71895 148.2909       125.9541 179.9803       140.5046 18.62330       284.2162 78.62244 26.10395 79.74220 34.13361 -1.119766      42.97115 
1 1 1 -22 19 7  o 52.13605 22.57073 -11.94821      126.9973 -33.66112      143.5002 66.50011       272.7628 53.50138 23.55714 81.72549 34.12767 -28.22411      41.46850 
1 1 1 -22 19 8  o 72.09466 24.10653 149.5681       119.7841 173.1310       134.4828 59.10776       263.5006 77.05132 25.53698 79.95420 33.47664 -2.902878      42.10490 
1 1 1 -22 19 9  o 129.8472 16.03884 508.7986       119.5459 459.9631       136.4180 670.4042       248.1600 122.4859 19.65505 145.1461 30.13940 -22.66013      35.98200 
1 1 1 -22 19 10 o 52.18060 21.60045 25.10504       107.9134 118.6062       121.6280 -320.7729      233.9304 67.36478 24.19227 53.44561 25.66993 13.91917       35.27338 
1 1 1 -22 19 11 o 233.1164 11.68257 1610.496       159.2119 1543.797       197.5203 1734.215       269.0105 227.4766 14.88736 239.8084 19.28993 -12.33183      24.36668 
1 1 1 -22 19 12 o 197.1797 13.00569 1156.890       149.5595 1310.829       184.0706 857.8335       256.5584 209.4359 15.08700 165.3351 27.41894 44.10083       31.29562 
1 1 1 -22 19 13 o 189.3876 12.53915 1067.020       138.4898 1143.247       166.1559 893.5580       250.6470 195.5815 14.59076 169.1523 26.10499 26.42924       29.90587 
1 1 1 -22 19 14 o 286.7727 11.16639 2435.959       187.4435 2589.583       252.1358 2246.153       280.2591 294.6441 14.63687 273.3261 17.57665 21.31796       22.87305 
1 1 1 -22 19 15 o 415.6404 11.16579 5115.735       271.9343 5165.606       400.5895 5073.112       370.3360 415.2924 16.48004 412.1242 15.34889 3.168213       22.52066 
1 1 1 -22 19 16 o 372.3151 10.78336 4104.319       235.2110 3819.143       332.3633 4390.441       332.9145 357.1136 15.90918 383.4547 14.83160 -26.34106      21.75036 
1 1 1 -22 19 17 o 333.5632 13.23239 3313.464       258.3475 3359.873       301.8170 3186.258       499.6866 334.9883 15.40379 319.5494 26.91292 15.43884       31.00938 
1 1 1 -22 19 18 o 205.8279 11.93300 1261.184       143.4295 1055.677       176.4300 1661.701       246.3035 187.0245 16.24611 234.2271 18.06971 -47.20258      24.29919 
1 1 1 -22 19 19 o 136.7184 16.93258 569.6901       132.8695 506.4626       164.0771 690.1427       226.4663 126.8451 22.89827 146.7409 27.31998 -19.89584      35.64705 
1 1 1 -22 19 20 o 44.47761 20.34297 -72.40896      118.9168 -19.42591      140.2166 -208.1541      224.4363 53.51830 23.43374 56.25191 26.46997 -2.733604      35.35250 
1 1 1 -22 19 21 o 359.2705 11.04225 3834.673       232.3881 3963.304       344.7900 3727.596       314.5769 362.5331 16.25784 352.1413 15.26837 10.39178       22.30337 
1 1 1 -22 19 22 o 49.16841 21.72577 -26.82315      123.0766 20.98443       149.8167 -126.0647      215.8532 58.77879 24.95869 58.88310 27.10693 -0.1043091     36.84728 
1 1 1 -22 19 23 o 120.9835 18.22981 454.9738       125.3344 397.3274       158.6032 550.8373       204.5280 110.3654 25.07559 129.1286 27.82848 -18.76318      37.45944 
1 1 1 -22 19 24 o 48.48647 22.96765 -176.4624      174.2141 -56.01157      531.5018 -190.9610      184.4013 93.50177 42.85614 49.55580 23.51952 43.94597       48.88575 
1 1 1 -22 19 25 o 206.9922 10.04759 1278.923       121.6094 1100.922       532.5965 1288.714       124.9091 159.1059 50.68226 207.6971 10.28647 -48.59126      51.71560 
1 1 1 -22 19 26 o 134.7676 15.16333 559.9403       117.7706 -422.5638      500.1922 617.6041       121.1773 76.75768 37.03571 141.7695 14.79165 -65.01183      39.88028 
1 1 1 -22 19 27 o 168.0042 14.40579 865.7088       140.5721 1268.341       504.0941 831.7587       146.3787 169.0884 48.38425 164.1543 15.38385 4.934128       50.77104 
1 1 1 -22 19 28 o 116.8094 19.87779 441.4601       131.3017 0.000000       0.000000 441.4601       131.3017 ?        ?        116.8094 19.87779 0.000000       19.87779 
1 1 1 -22 19 29 o 193.3078 11.23146 1129.326       126.7832 1168.736       528.6758 1126.921       130.5941 152.9236 50.63084 192.9130 11.59634 -39.98941      51.94186 
1 1 1 -22 19 30 o 105.8502 25.51569 391.2704       156.5310 -351.5432      457.6821 489.6664       166.5760 72.11149 34.94644 119.4139 24.60415 -47.30238      42.73895 
1 1 1 -22 19 31 o 84.24964 21.95124 242.5022       109.5349 639.3891       480.4308 220.7405       112.4978 112.5032 45.96617 80.10400 22.83620 32.39919       51.32622 
1 1 1 -22 19 32 o 143.1601 13.76698 637.2650       114.1642 147.6575       435.4611 673.4005       118.3022 85.39442 39.00842 147.1286 13.87405 -61.73416      41.40225 
1 1 1 -22 19 33 o 32.99464 16.30994 -230.8165      115.8129 -36.78962      452.4164 -244.4226      119.8048 78.11760 37.00617 33.27445 16.47358 44.84315       40.50723 
1 1 1 -22 19 34 o 53.20028 22.20682 50.12037       115.4206 -143.2156      440.4907 64.37306       119.5994 73.00685 35.10641 55.45072 22.82579 17.55613       41.87454 
1 1 1 -22 19 35 o 91.84505 23.12834 301.3657       124.4877 744.4439       458.1370 266.0430       129.3547 111.3281 45.10913 85.34055 24.53818 25.98752       51.35130 
1 1 1 -22 19 36 o 174.6653 12.39736 947.2272       126.1696 69.01042       462.1374 1017.958       131.1520 78.51865 37.25616 181.0723 12.42547 -102.5537      39.27357 
1 1 1 -22 19 37 o 150.4598 15.26689 726.6289       132.8537 536.7973       484.6805 742.0504       138.1447 95.41731 42.58139 151.6365 15.76368 -56.21916      45.40561 
1 1 1 -22 19 38 o 90.06593 26.00411 312.8641       144.9901 445.2822       469.3868 298.8968       152.4452 90.03329 40.88307 87.17298 27.02568 2.860306       49.00830 
1 1 1 -22 19 39 o 101.3770 22.64385 372.3426       131.2274 314.7863       439.8369 377.9666       137.4893 83.94280 38.66171 101.3232 23.58111 -17.38042      45.28572 
1 1 1 -22 20 1  o 276.8202 40.23394 2476.875       634.0822 0.000000       0.000000 2476.875       634.0822 ?        ?        276.8202 40.23394 0.000000       40.23394 
1 1 1 -22 20 2  o 470.5098 13.60169 6561.294       374.9351 6523.142       486.6766 6617.000       588.0760 467.3843 17.78726 468.8376 21.44431 -1.453339      27.86117 
1 1 1 -22 20 3  o 449.2646 29.06670 6210.762       761.7478 0.000000       0.000000 6210.762       761.7478 ?        ?        449.2646 29.06670 0.000000       29.06670 
1 1 1 -22 20 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 20 5  o 239.4646 13.73835 1704.579       192.1321 1746.107       203.4359 1361.743       584.5261 242.2166 14.38580 198.4340 50.19837 43.78259       52.21904 
1 1 1 -22 20 6  o 203.4493 12.93349 1230.031       153.5212 1350.905       180.1979 910.0255       293.1983 212.8938 14.51922 169.5054 30.62018 43.38831       33.88810 
1 1 1 -22 20 7  o 104.0158 21.04885 336.3398       123.9906 349.2795       140.6826 291.3120       262.4337 105.5408 23.34785 100.7419 35.60434 4.798882       42.57689 
1 1 1 -22 20 8  o 387.8892 16.51119 4490.716       374.7502 0.000000       0.000000 4490.716       374.7502 ?        ?        387.8892 16.51119 0.000000       16.51119 
1 1 1 -22 20 9  o 128.7043 17.59227 503.4231       129.3181 570.8117       148.9319 296.9292       260.7043 136.7943 19.08255 101.0481 35.50607 35.74612       40.30912 
1 1 1 -22 20 10 o 52.19482 21.97470 14.23387       114.5144 15.72824       129.3610 8.821579       246.1875 55.32747 23.32814 73.58102 31.63678 -18.25355      39.30761 
1 1 1 -22 20 11 o 135.0847 15.67480 550.5680       121.8792 574.0042       138.7078 471.1815       255.2881 137.4771 17.60730 120.4055 34.42516 17.07157       38.66663 
1 1 1 -22 20 12 f 296.9975 11.17633 2612.433       194.3242 2748.433       261.6354 2445.099       290.2129 303.5425 14.74100 285.2916 17.42828 18.25092       22.82634 
1 1 1 -22 20 13 o 313.7600 10.81047 2914.539       198.6294 2855.779       264.1777 2990.959       301.2720 309.3663 14.60158 315.9487 16.31417 -6.582397      21.89425 
1 1 1 -22 20 14 o 543.4274 16.12311 8836.281       513.2869 0.000000       0.000000 8836.281       513.2869 ?        ?        543.4274 16.12311 0.000000       16.12311 
1 1 1 -22 20 15 o 295.9352 10.92469 2595.550       189.2824 2540.901       250.6143 2668.121       288.8003 291.5516 14.70430 298.0142 16.58928 -6.462524      22.16801 
1 1 1 -22 20 16 o 480.3907 11.75206 6843.603       331.0999 6818.489       506.5575 6862.335       437.4904 475.4946 18.19848 478.7771 15.60145 -3.282501      23.97060 
1 1 1 -22 20 17 o 364.7661 10.67421 3942.680       228.1042 3739.750       326.4227 4136.348       318.8853 353.0606 15.80458 371.9300 14.64782 -18.86942      21.54862 
1 1 1 -22 20 18 o 182.4835 13.49207 997.3560       143.3740 950.3371       182.2288 1073.754       232.2847 176.7349 17.82429 186.4370 21.64598 -9.702164      28.04021 
1 1 1 -22 20 19 o 169.2726 14.40200 862.3922       141.6186 982.7862       174.8289 632.6340       241.5163 179.9948 16.75401 138.6396 30.53075 41.35510       34.82561 
1 1 1 -22 20 20 o 163.3843 15.25259 807.6801       144.4631 672.9337       184.3537 1022.071       232.5393 146.4911 22.14886 180.9887 22.38419 -34.49760      31.49006 
1 1 1 -22 20 21 o 171.7231 13.91121 888.5629       138.9034 933.1864       176.2084 815.3215       225.7476 174.7082 17.42976 159.8694 24.88693 14.83876       30.38348 
1 1 1 -22 20 22 o 45.17473 20.51839 -58.76406      118.3208 4.389832       145.8249 -180.4615      202.4289 56.27630 24.27395 53.44999 25.14752 2.826317       34.95172 
1 1 1 -22 20 23 o 60.30698 22.42371 94.00998       105.8628 -372.2853      610.2294 108.4788       107.4927 88.83132 42.33704 62.76794 22.71668 26.06339       48.04657 
1 1 1 -22 20 24 o 110.4407 17.17293 381.4973       107.6173 -83.68548      569.3005 398.7362       109.5932 93.35698 43.34296 112.9959 17.06918 -19.63892      46.58293 
1 1 1 -22 20 25 o 214.4054 10.36103 1376.102       129.8978 1145.797       520.0101 1391.429       134.1507 160.2502 49.95185 215.4756 10.64858 -55.22540      51.07426 
1 1 1 -22 20 26 o 62.71102 24.49510 95.24696       130.3531 -81.73463      513.9467 107.4148       134.7597 87.19191 40.71507 64.78026 25.01576 22.41165       47.78604 
1 1 1 -22 20 27 o 104.3926 19.06956 351.5334       112.4503 -81.77623      539.8552 371.1864       114.9722 87.53943 41.14903 107.3959 18.94613 -19.85645      45.30120 
1 1 1 -22 20 28 o 187.1441 11.48916 1059.787       125.4921 0.000000       0.000000 1059.787       125.4921 ?        ?        187.1441 11.48916 0.000000       11.48916 
1 1 1 -22 20 29 o 217.3085 10.66081 1424.585       135.4534 1083.082       496.5206 1452.044       140.7939 146.8094 49.07974 219.2083 10.98658 -72.39894      50.29440 
1 1 1 -22 20 30 o 95.38168 21.69903 308.0930       118.6371 -71.56443      419.5935 341.0814       123.6839 77.23812 36.29753 100.5292 21.62084 -23.29111      42.24892 
1 1 1 -22 20 31 o 130.6670 14.89482 536.4365       112.1079 614.7239       414.2198 530.2487       116.4541 111.7350 43.65895 129.4637 15.65512 -17.72871      46.38089 
1 1 1 -22 20 32 o 90.11235 21.22840 277.8055       110.3312 447.3256       424.9032 265.5493       114.2500 99.05901 42.04638 87.52197 22.22157 11.53704       47.55730 
1 1 1 -22 20 33 o 57.68563 23.06020 83.24561       117.9970 96.76875       458.7803 82.28768       122.1047 82.10798 38.38264 58.03223 23.36864 24.07574       44.93685 
1 1 1 -22 20 34 o 36.77428 17.83773 -165.2429      119.9532 -420.8526      416.5401 -142.1284      125.2594 63.55281 31.32433 39.10818 18.78373 24.44463       36.52454 
1 1 1 -22 20 35 o 81.77267 24.01449 244.1690       122.7186 -156.0472      440.7676 277.7998       127.7707 71.01467 34.38623 87.10516 24.16462 -16.09049      42.02787 
1 1 1 -22 20 36 o 104.7617 21.37807 383.4971       126.8956 -78.82971      474.5876 419.0949       131.6903 74.14611 35.84902 109.7639 21.22487 -35.61780      41.66110 
1 1 1 -22 20 37 o 41.49741 19.86816 -133.1590      137.6836 -24.56662      473.0489 -143.2097      143.9142 74.36521 35.91476 42.05431 20.18181 32.31091       41.19680 
1 1 1 -22 20 38 f 146.3688 18.54368 720.2276       155.6151 240.6975       449.9222 785.3871       165.8511 81.52604 38.07769 152.4820 18.95391 -70.95594      42.53424 
1 1 1 -22 20 39 o 51.44400 22.90303 12.67476       139.3544 30.45763       435.7452 10.64878       147.0785 73.01129 35.05882 52.29693 23.38918 20.71436       42.14468 
1 1 1 -22 21 1  o 370.3270 18.56955 4111.481       402.0215 0.000000       0.000000 4111.481       402.0215 ?        ?        370.3270 18.56955 0.000000       18.56955 
1 1 1 -22 21 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 21 3  o 318.4119 36.23448 3232.442       664.6229 0.000000       0.000000 3232.442       664.6229 ?        ?        318.4119 36.23448 0.000000       36.23448 
1 1 1 -22 21 4  o 400.4532 11.61340 4743.909       272.4600 4790.554       375.3259 4691.944       396.1501 400.8545 15.99721 396.2432 17.08714 4.611298       23.40686 
1 1 1 -22 21 5  o 360.5417 11.21769 3844.234       236.9086 3805.717       316.5529 3893.277       357.1955 357.4969 15.13237 360.9080 16.92271 -3.411072      22.70169 
1 1 1 -22 21 6  o 279.3304 11.27573 2309.486       184.3401 2215.523       227.5290 2488.986       314.4785 272.8144 14.27025 287.6910 18.74065 -14.87659      23.55529 
1 1 1 -22 21 7  o 319.8848 11.40432 3028.848       213.6083 3192.749       276.2830 2785.276       336.8033 327.5318 14.41836 304.2232 18.97144 23.30859       23.82865 
1 1 1 -22 21 8  o 87.20679 23.12025 238.8768       120.1505 287.2100       134.7280 51.08369       265.5677 95.38349 24.08380 79.14028 33.39953 16.24321       41.17715 
1 1 1 -22 21 9  o 221.7604 12.09039 1460.453       156.6494 1448.634       189.5188 1485.943       278.3182 220.1819 14.76171 220.6399 21.79263 -0.4579315     26.32160 
1 1 1 -22 21 10 o 187.9592 13.85430 1055.322       151.6476 1223.334       182.5827 681.6308       272.2993 201.9863 15.53220 144.5602 32.86464 57.42607       36.35016 
1 1 1 -22 21 11 o 299.0359 11.42191 2650.789       199.9464 2522.927       256.4634 2848.957       319.2801 290.5509 15.10240 307.7122 17.76754 -17.16132      23.31883 
1 1 1 -22 21 12 o 192.7511 12.44128 1106.514       139.8899 1082.631       166.6421 1163.507       257.4268 189.9662 15.08115 194.1706 23.05533 -4.204391      27.54976 
1 1 1 -22 21 13 o 186.7137 13.03527 1040.603       141.8438 1072.788       172.1476 972.5465       250.3247 188.8611 15.68342 176.4484 24.87976 12.41272       29.41041 
1 1 1 -22 21 14 o 301.4543 11.36107 2696.222       200.4995 2365.421       238.2749 3498.532       371.0787 281.2899 14.49240 340.1897 18.67079 -58.89972      23.63531 
1 1 1 -22 21 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 21 16 o 362.7619 13.61891 3926.141       289.2296 4078.435       339.0928 3519.505       554.0892 368.6989 15.71787 333.8730 28.57187 34.82587       32.60987 
1 1 1 -22 21 17 o 171.4546 16.45611 890.6032       163.4436 890.6032       163.4436 0.000000       0.000000 171.4546 16.45611 ?        ?        0.000000       16.45611 
1 1 1 -22 21 18 o 189.7220 13.19478 1078.154       145.9001 946.2290       185.6601 1291.179       235.9228 175.9706 18.25476 205.1146 19.86024 -29.14400      26.97527 
1 1 1 -22 21 19 o 351.3242 10.72503 3666.009       220.7233 3523.294       311.6471 3809.648       312.6551 342.0078 15.57824 355.9957 15.00879 -13.98788      21.63205 
1 1 1 -22 21 20 o 190.5336 21.38327 1130.905       234.8255 0.000000       0.000000 1130.905       234.8255 ?        ?        190.5336 21.38327 0.000000       21.38327 
1 1 1 -22 21 21 o 38.37236 18.14014 -114.8878      107.6460 0.000000       0.000000 -114.8878      107.6460 ?        ?        38.37236 18.14014 0.000000       18.14014 
1 1 1 -22 21 22 o 141.1520 15.25832 609.6407       124.3065 0.000000       0.000000 609.6407       124.3065 ?        ?        141.1520 15.25832 0.000000       15.25832 
1 1 1 -22 21 23 o 39.41661 18.45500 -94.12840      106.7607 0.000000       0.000000 -94.12840      106.7607 ?        ?        39.41661 18.45500 0.000000       18.45500 
1 1 1 -22 21 24 o 50.64067 21.61611 14.67655       113.4083 0.000000       0.000000 14.67655       113.4083 ?        ?        50.64067 21.61611 0.000000       21.61611 
1 1 1 -22 21 25 o 174.9236 13.70798 933.9790       139.5056 0.000000       0.000000 933.9790       139.5056 ?        ?        174.9236 13.70798 0.000000       13.70798 
1 1 1 -22 21 26 o 107.6229 20.71707 378.6180       126.0177 -141.5896      491.5590 415.2122       130.3747 82.72182 39.00204 112.9761 20.42865 -30.25425      44.02827 
1 1 1 -22 21 27 o 55.67942 22.40166 62.92438       112.1031 -783.3525      503.6466 107.0371       114.9877 66.91231 33.23916 62.13943 23.31672 4.772873       40.60186 
1 1 1 -22 21 28 o 76.61190 24.29159 198.3315       122.4673 123.4224       523.4738 202.6689       125.9630 91.48592 42.15096 77.33814 24.64917 14.14777       48.82914 
1 1 1 -22 21 29 o 114.4463 19.41879 428.6639       125.6851 384.6033       464.9329 432.1376       130.5456 99.30965 43.08877 114.4582 20.18498 -15.14854      47.58230 
1 1 1 -22 21 30 o 56.56947 22.97690 68.52630       119.1963 -644.9952      484.1160 114.5724       122.9823 65.84023 32.68644 63.00797 24.00688 2.832256       40.55531 
1 1 1 -22 21 31 o 62.28473 23.01995 118.0808       111.2614 483.7699       428.9433 91.70226       115.2044 101.5367 42.62568 58.86151 23.01725 42.67520       48.44318 
1 1 1 -22 21 32 o 36.33669 17.59756 -159.0718      115.5566 -842.6235      416.4119 -102.0399      120.2807 55.93710 28.13973 40.73791 19.23331 15.19919       34.08467 
1 1 1 -22 21 33 o 117.2769 19.09900 458.4042       126.8469 427.4646       420.8599 461.4957       133.0332 94.90089 41.08634 116.9332 20.12444 -22.03228      45.75019 
1 1 1 -22 21 34 o 150.8291 15.38317 727.0486       134.1731 428.3584       432.5471 758.8483       141.1348 93.24014 40.98224 153.7066 15.88498 -60.46643      43.95312 
1 1 1 -22 21 35 o 166.5913 13.93785 875.2246       134.9283 290.6680       446.4727 933.9786       141.5469 85.94788 39.35077 171.9272 14.16350 -85.97934      41.82210 
1 1 1 -22 21 36 o 48.84325 22.06783 -16.71484      134.7103 -283.8627      488.8765 5.235896       140.1354 69.05918 34.01854 51.46218 22.93558 17.59700       41.02806 
1 1 1 -22 21 37 o 168.9741 16.06071 927.8903       157.2492 575.1729       443.9011 978.5038       168.1534 96.44853 41.97258 172.7635 16.80822 -76.31496      45.21299 
1 1 1 -22 21 38 o 147.2064 19.29708 738.3184       162.5901 -53.68468      443.3883 861.3633       174.7642 71.32197 34.52383 159.3302 19.08175 -88.00828      39.44627 
1 1 1 -22 22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 22 2  o 375.5735 13.45543 4189.843       295.8972 3829.510       324.3158 5979.802       722.8318 358.2986 15.47024 439.6702 28.18074 -81.37164      32.14782 
1 1 1 -22 22 3  o 469.4894 11.86766 6527.011       326.5075 5595.895       438.3619 7687.256       489.3345 432.3017 17.32510 507.2830 16.46952 -74.98123      23.90407 
1 1 1 -22 22 4  o 369.5006 11.26576 4040.893       243.8477 3500.784       306.9619 4964.721       401.4572 342.5418 15.31865 407.3331 16.84134 -64.79129      22.76602 
1 1 1 -22 22 5  o 358.7853 11.04786 3809.332       232.1911 3317.715       293.1262 4637.329       380.4133 333.5125 15.02480 393.7420 16.51042 -60.22946      22.32350 
1 1 1 -22 22 6  o 267.8673 11.37498 2126.512       178.2917 1947.891       210.1236 2585.750       336.9201 255.6279 14.07000 292.4341 19.76088 -36.80612      24.25814 
1 1 1 -22 22 7  o 223.5897 11.93452 1484.751       155.9305 1509.958       185.4968 1424.037       287.8854 224.9173 14.13397 215.2385 23.17054 9.678757       27.14117 
1 1 1 -22 22 8  o 201.4537 12.44417 1207.775       146.3075 1258.860       173.8896 1083.958       270.7187 205.1429 14.54765 186.5054 25.41026 18.63753       29.27995 
1 1 1 -22 22 9  o 301.2441 11.45824 2690.645       202.0666 2831.071       263.5830 2490.482       314.6927 307.9588 14.63588 287.1414 18.79027 20.81741       23.81771 
1 1 1 -22 22 10 o 138.1501 16.38091 578.4890       130.1410 638.9950       149.9857 394.1460       261.7966 144.8060 18.05184 110.7608 35.56009 34.04516       39.87968 
1 1 1 -22 22 11 o 354.0374 11.23200 3715.400       232.9200 3766.745       321.5236 3658.698       337.8821 354.7709 15.49039 349.1398 16.54829 5.631104       22.66712 
1 1 1 -22 22 12 o 229.2939 12.25063 1564.647       164.1429 1726.565       205.5583 1279.725       272.6783 240.1529 14.66467 203.3611 23.28216 36.79179       27.51566 
1 1 1 -22 22 13 o 84.81525 24.19248 227.2019       126.2235 260.4378       147.1548 134.6621       245.5473 90.53412 26.21502 82.79060 33.20788 7.743515       42.30828 
1 1 1 -22 22 14 o 242.1062 11.34493 1741.476       160.6382 1825.091       201.8024 1596.856       265.3973 247.0381 13.98587 228.6909 19.98849 18.34718       24.39557 
1 1 1 -22 22 15 o 218.7862 12.25976 1426.694       156.6793 1449.465       196.3252 1386.752       260.0151 219.5371 15.34478 212.3519 21.15947 7.185135       26.13781 
1 1 1 -22 22 16 o 110.6216 22.19752 387.2260       138.9987 407.7440       161.2522 327.8962       274.2045 112.6514 25.05466 102.8343 36.38942 9.817108       44.18060 
1 1 1 -22 22 17 o 292.5115 14.98609 2571.820       256.2311 2571.820       256.2311 0.000000       0.000000 292.5115 14.98609 ?        ?        0.000000       14.98609 
1 1 1 -22 22 18 o 208.1722 20.40294 1338.484       245.8999 0.000000       0.000000 1338.484       245.8999 ?        ?        208.1722 20.40294 0.000000       20.40294 
1 1 1 -22 22 19 o 39.47596 18.55891 -107.7523      109.8861 0.000000       0.000000 -107.7523      109.8861 ?        ?        39.47596 18.55891 0.000000       18.55891 
1 1 1 -22 22 20 o 117.5155 18.47399 431.5779       123.1260 0.000000       0.000000 431.5779       123.1260 ?        ?        117.5155 18.47399 0.000000       18.47399 
1 1 1 -22 22 21 o 74.26429 22.99799 175.8652       110.4278 0.000000       0.000000 175.8652       110.4278 ?        ?        74.26429 22.99799 0.000000       22.99799 
1 1 1 -22 22 22 o 166.7255 13.15692 842.4738       127.6071 0.000000       0.000000 842.4738       127.6071 ?        ?        166.7255 13.15692 0.000000       13.15692 
1 1 1 -22 22 23 o 77.31643 24.00272 195.7172       120.2026 0.000000       0.000000 195.7172       120.2026 ?        ?        77.31643 24.00272 0.000000       24.00272 
1 1 1 -22 22 24 o 63.72355 23.47229 114.5753       115.5098 0.000000       0.000000 114.5753       115.5098 ?        ?        63.72355 23.47229 0.000000       23.47229 
1 1 1 -22 22 25 o 64.74025 22.92065 126.4450       108.7986 0.000000       0.000000 126.4450       108.7986 ?        ?        64.74025 22.92065 0.000000       22.92065 
1 1 1 -22 22 26 o 115.4047 17.58554 423.7282       115.2665 112.0881       515.8998 440.1028       118.2560 92.22456 42.25270 117.5967 17.69437 -25.37215      45.80810 
1 1 1 -22 22 27 o 150.3279 14.76131 701.4823       128.4648 395.6687       493.1169 723.7486       133.0594 102.3687 44.39602 152.5388 15.07026 -50.17009      46.88410 
1 1 1 -22 22 28 o 149.3096 15.15059 696.9399       130.8337 609.9841       491.1527 703.5815       135.7382 111.7723 46.15772 149.6932 15.69450 -37.92088      48.75297 
1 1 1 -22 22 29 o 114.3711 18.62361 426.8825       120.6253 -134.9173      441.2220 472.2642       125.4027 75.71104 36.06037 120.5994 18.30435 -44.88833      40.44007 
1 1 1 -22 22 30 o 119.0125 18.28500 461.8215       123.5493 214.1255       474.9869 479.7961       127.9536 89.04668 40.70091 121.1372 18.60435 -32.09052      44.75138 
1 1 1 -22 22 31 o 109.2730 19.22301 396.4873       118.6967 212.6788       434.5593 411.3063       123.3887 86.56051 39.31833 111.0470 19.66569 -24.48645      43.96214 
1 1 1 -22 22 32 o 123.6417 18.23890 503.0444       128.2888 -418.3623      489.1642 571.1006       132.9422 68.72233 33.88623 132.3504 17.56011 -63.62809      38.16588 
1 1 1 -22 22 33 o 98.99052 23.59073 351.9322       135.0062 210.7575       454.9178 365.5667       141.3754 84.16586 38.96082 100.3978 24.27906 -16.23196      45.90662 
1 1 1 -22 22 34 f 129.0094 18.80781 556.1528       138.1169 264.0830       442.2259 587.7221       145.3898 85.03108 39.01741 132.2412 19.31627 -47.21011      43.53707 
1 1 1 -22 22 35 o 97.41607 24.77058 353.0980       141.8157 594.4558       475.1345 329.4932       148.5888 98.20634 43.06526 92.80738 26.17345 5.398956       50.39510 
1 1 1 -22 22 36 o 62.85700 25.23784 119.3925       141.9769 461.2190       424.0720 76.24137       150.6720 91.46466 40.37534 59.00483 25.04126 32.45983       47.51034 
1 1 1 -22 22 37 o 64.63630 25.46684 136.2354       141.9437 342.7262       401.0717 106.6684       151.7661 85.11853 38.30120 61.96261 25.62978 23.15592       46.08544 
1 1 1 -22 23 1  o 169.7361 57.07025 1060.701       671.2596 0.000000       0.000000 1060.701       671.2596 ?        ?        169.7361 57.07025 0.000000       57.07025 
1 1 1 -22 23 2  o 148.1399 15.06934 660.3428       129.1028 631.9859       139.1905 834.9773       345.4177 144.4615 16.73823 158.0644 37.77697 -13.60284      41.31909 
1 1 1 -22 23 3  o 208.7206 12.39775 1295.991       151.0767 1133.186       171.0935 1872.205       321.8780 194.4280 15.12345 247.3325 22.43389 -52.90445      27.05546 
1 1 1 -22 23 4  o 282.7612 11.34768 2370.200       187.7995 2449.000       231.7971 2219.660       320.3848 286.6851 13.82722 270.3885 20.35322 16.29660       24.60580 
1 1 1 -22 23 5  o 341.9242 11.37636 3464.732       227.8130 3566.816       299.1647 3323.830       351.4717 345.6849 14.79055 332.2244 18.10728 13.46051       23.38021 
1 1 1 -22 23 6  o 44.86164 19.92290 -32.87910      104.7849 -8.022791      113.1704 -182.2064      277.3857 49.31548 21.32814 66.06082 30.52461 -16.74534      37.23764 
1 1 1 -22 23 7  o 110.8272 18.67327 378.9995       117.0618 370.9563       129.6583 414.4651       272.2635 108.9568 21.05261 113.2289 36.25514 -4.272072      41.92430 
1 1 1 -22 23 8  o 142.0953 14.82357 608.3689       121.7184 623.0054       137.8801 556.6844       259.0974 143.3018 16.71966 129.7561 33.73756 13.54562       37.65329 
1 1 1 -22 23 9  o 130.7665 16.14382 519.0502       121.1833 581.3575       137.2041 298.0117       258.4233 138.1658 17.31124 99.87640 35.32823 38.28939       39.34162 
1 1 1 -22 23 10 o 249.5897 11.43982 1849.967       167.0090 1840.405       207.7375 1867.440       280.8256 248.0568 14.34065 247.8577 19.47529 0.1990356      24.18555 
1 1 1 -22 23 11 o 119.1987 17.91264 436.4406       121.3532 452.1313       139.5391 387.7384       245.8382 120.5841 20.46195 109.2377 34.38863 11.34637       40.01586 
1 1 1 -22 23 12 o 259.3240 11.56035 1998.459       175.3763 2181.373       228.5497 1736.524       273.4977 269.9510 14.48903 238.6639 19.71534 31.28705       24.46685 
1 1 1 -22 23 13 o 299.8559 12.54992 2678.026       220.2129 2561.636       264.6601 2939.921       397.0044 292.0681 15.50647 309.3433 22.02697 -17.27521      26.93767 
1 1 1 -22 23 14 o 334.2710 11.74970 3322.739       229.9852 3442.002       313.0630 3182.914       338.9769 338.3289 15.82146 324.1945 17.89792 14.13446       23.88837 
1 1 1 -22 23 15 o 281.7278 32.62147 2594.746       529.0450 0.000000       0.000000 2594.746       529.0450 ?        ?        281.7278 32.62147 0.000000       32.62147 
1 1 1 -22 23 16 f 166.9029 46.79169 1042.593       476.3716 0.000000       0.000000 1042.593       476.3716 ?        ?        166.9029 46.79169 0.000000       46.79169 
1 1 1 -22 23 17 o 116.6925 16.69444 419.2441       111.0008 0.000000       0.000000 419.2441       111.0008 ?        ?        116.6925 16.69444 0.000000       16.69444 
1 1 1 -22 23 18 o 73.04496 22.60365 167.5407       106.6962 0.000000       0.000000 167.5407       106.6962 ?        ?        73.04496 22.60365 0.000000       22.60365 
1 1 1 -22 23 19 o 216.1823 11.05021 1396.701       139.6362 0.000000       0.000000 1396.701       139.6362 ?        ?        216.1823 11.05021 0.000000       11.05021 
1 1 1 -22 23 20 o 176.6272 12.25922 939.6104       126.2024 0.000000       0.000000 939.6104       126.2024 ?        ?        176.6272 12.25922 0.000000       12.25922 
1 1 1 -22 23 21 o 91.97062 21.71588 276.8085       115.2446 0.000000       0.000000 276.8085       115.2446 ?        ?        91.97062 21.71588 0.000000       21.71588 
1 1 1 -22 23 22 o 127.6861 16.48793 508.2660       120.5903 0.000000       0.000000 508.2660       120.5903 ?        ?        127.6861 16.48793 0.000000       16.48793 
1 1 1 -22 23 23 o 188.3244 11.29324 1068.924       124.1583 0.000000       0.000000 1068.924       124.1583 ?        ?        188.3244 11.29324 0.000000       11.29324 
1 1 1 -22 23 24 o 61.17965 23.44649 97.04845       117.7544 0.000000       0.000000 97.04845       117.7544 ?        ?        61.17965 23.44649 0.000000       23.44649 
1 1 1 -22 23 25 o 92.33640 22.74950 287.4482       122.3816 0.000000       0.000000 287.4482       122.3816 ?        ?        92.33640 22.74950 0.000000       22.74950 
1 1 1 -22 23 26 f 187.2366 12.27635 1067.868       134.0628 0.000000       0.000000 1067.868       134.0628 ?        ?        187.2366 12.27635 0.000000       12.27635 
1 1 1 -22 23 27 o 57.85028 23.38069 72.61387       122.7235 0.000000       0.000000 72.61387       122.7235 ?        ?        57.85028 23.38069 0.000000       23.38069 
1 1 1 -22 23 28 o 112.5107 18.42846 412.4447       117.3940 -49.65801      505.4721 438.7908       120.6941 82.00441 38.92567 116.1781 18.32006 -34.17373      43.02131 
1 1 1 -22 23 29 o 47.44964 21.11215 -13.66201      118.2328 -353.4128      499.4582 6.506930       121.6916 72.68262 35.50932 49.98197 21.85942 22.70065       41.69827 
1 1 1 -22 23 30 o 52.66431 22.47894 33.46830       122.6331 127.0539       467.4626 26.55162       127.0841 84.32186 39.19164 52.63217 22.68101 31.68969       45.28148 
1 1 1 -22 23 31 o 160.7609 14.17292 811.2838       132.2588 1035.406       523.0327 795.9738       136.7016 126.8448 49.20144 158.7176 14.85853 -31.87285      51.39609 
1 1 1 -22 23 32 o 46.67517 21.17272 -30.63769      125.4934 514.9094       486.7914 -69.47555      129.8836 97.58144 43.15844 44.51451 20.67905 53.06694       47.85680 
1 1 1 -22 23 33 o 118.3948 20.93966 482.3467       140.0780 -421.1744      469.6441 570.5742       146.7579 66.19043 32.74203 129.8348 19.90747 -63.64433      38.31903 
1 1 1 -22 23 34 f 117.0827 21.84422 480.6909       144.4802 -147.3645      513.4016 534.7082       150.5652 73.74623 36.02304 123.9325 21.49398 -50.18632      41.94819 
1 1 1 -22 23 35 o 205.5796 13.35170 1329.294       160.1073 398.5888       464.3328 1454.881       170.5680 88.38132 40.33771 214.8228 13.60832 -126.4415      42.57132 
1 1 1 -22 23 36 o 128.3279 20.51377 570.2663       149.1924 -82.25357      417.4813 665.7989       159.7408 69.87299 33.74383 139.1372 20.16281 -69.26417      39.30884 
1 1 1 -22 24 1  o 128.2193 17.19701 501.1733       126.0598 458.0455       134.1878 825.1673       367.7926 121.8469 19.43003 155.5452 40.07139 -33.69835      44.53361 
1 1 1 -22 24 2  o 236.7007 47.91468 1974.812       642.2984 0.000000       0.000000 1974.812       642.2984 ?        ?        236.7007 47.91468 0.000000       47.91468 
1 1 1 -22 24 3  o 148.8129 14.03897 664.9055       121.0774 597.5337       132.2213 1014.799       301.3216 140.4037 16.36366 177.9904 29.92659 -37.58665      34.10821 
1 1 1 -22 24 4  o 220.0885 11.61996 1439.360       149.4552 1368.812       174.2426 1635.757       290.7236 213.9853 13.96039 231.0359 21.71050 -17.05061      25.81159 
1 1 1 -22 24 5  o 171.1809 13.71267 877.4329       136.5159 819.7802       154.2971 1085.217       292.9232 164.7529 16.17724 185.0825 27.84808 -20.32961      32.20588 
1 1 1 -22 24 6  o 95.62881 20.49383 287.0493       111.4814 335.8505       123.3513 69.46355       260.4617 103.4670 21.04518 79.20227 33.23045 24.26470       39.33399 
1 1 1 -22 24 7  o 205.0267 12.32325 1252.298       147.4949 1440.808       176.4283 814.7287       268.7968 219.5531 13.77117 158.8417 29.95235 60.71147       32.96648 
1 1 1 -22 24 8  f 93.36599 22.03690 275.9884       118.7135 238.2121       134.3263 410.7451       253.7035 86.76871 25.02270 112.0489 34.88498 -25.28015      42.93131 
1 1 1 -22 24 9  o 214.8447 11.79551 1373.544       148.0547 1373.795       176.7303 1372.953       271.1310 214.1844 14.14855 210.9593 22.24912 3.225113       26.36674 
1 1 1 -22 24 10 o 40.52002 18.82988 -89.79226      107.8360 -49.68906      119.6205 -263.7715      249.1523 46.59785 20.94680 57.68456 27.36624 -11.08671      34.46273 
1 1 1 -22 24 11 o 64.78799 23.60663 109.7426       116.3455 63.12494       132.9144 262.5365       240.6299 60.87408 24.42687 94.49237 34.01615 -33.61829      41.87804 
1 1 1 -22 24 12 o 244.7946 12.03593 1785.437       172.2656 1793.230       215.9550 1771.802       285.6502 244.2090 15.15290 240.3227 20.46139 3.886353       25.46132 
1 1 1 -22 24 13 o 325.7110 17.83203 3217.917       339.3311 0.000000       0.000000 3217.917       339.3311 ?        ?        325.7110 17.83203 0.000000       17.83203 
1 1 1 -22 24 14 o 45.74934 20.77262 -61.47064      121.1497 0.000000       0.000000 -61.47064      121.1497 ?        ?        45.74934 20.77262 0.000000       20.77262 
1 1 1 -22 24 15 o 196.4647 11.43904 1152.040       131.2327 0.000000       0.000000 1152.040       131.2327 ?        ?        196.4647 11.43904 0.000000       11.43904 
1 1 1 -22 24 16 o 95.56254 32.73765 293.7924       220.9816 0.000000       0.000000 293.7924       220.9816 ?        ?        95.56254 32.73765 0.000000       32.73765 
1 1 1 -22 24 17 o 155.7030 13.99518 734.6245       126.4365 0.000000       0.000000 734.6245       126.4365 ?        ?        155.7030 13.99518 0.000000       13.99518 
1 1 1 -22 24 18 o 148.1694 14.01966 667.4109       120.3789 0.000000       0.000000 667.4109       120.3789 ?        ?        148.1694 14.01966 0.000000       14.01966 
1 1 1 -22 24 19 o 162.4987 12.04176 796.0164       113.9445 0.000000       0.000000 796.0164       113.9445 ?        ?        162.4987 12.04176 0.000000       12.04176 
1 1 1 -22 24 20 o 54.57329 22.38469 46.50414       114.4932 0.000000       0.000000 46.50414       114.4932 ?        ?        54.57329 22.38469 0.000000       22.38469 
1 1 1 -22 24 21 o 194.0402 11.65011 1135.287       131.9677 0.000000       0.000000 1135.287       131.9677 ?        ?        194.0402 11.65011 0.000000       11.65011 
1 1 1 -22 24 22 o 187.9767 12.02851 1069.377       131.9112 0.000000       0.000000 1069.377       131.9112 ?        ?        187.9767 12.02851 0.000000       12.02851 
1 1 1 -22 24 23 o 191.9618 11.81049 1115.494       132.3200 0.000000       0.000000 1115.494       132.3200 ?        ?        191.9618 11.81049 0.000000       11.81049 
1 1 1 -22 24 24 o 98.59698 21.86047 324.4251       123.0900 0.000000       0.000000 324.4251       123.0900 ?        ?        98.59698 21.86047 0.000000       21.86047 
1 1 1 -22 24 25 o 94.27209 22.05891 299.6802       119.7839 0.000000       0.000000 299.6802       119.7839 ?        ?        94.27209 22.05891 0.000000       22.05891 
1 1 1 -22 24 26 o 80.58949 22.80984 222.5722       112.6436 0.000000       0.000000 222.5722       112.6436 ?        ?        80.58949 22.80984 0.000000       22.80984 
1 1 1 -22 24 27 o 192.4428 11.51097 1128.178       129.3226 0.000000       0.000000 1128.178       129.3226 ?        ?        192.4428 11.51097 0.000000       11.51097 
1 1 1 -22 24 28 o 56.37489 22.64985 73.19056       114.4304 0.000000       0.000000 73.19056       114.4304 ?        ?        56.37489 22.64985 0.000000       22.64985 
1 1 1 -22 24 29 o 71.17900 24.65631 172.9512       125.4662 0.000000       0.000000 172.9512       125.4662 ?        ?        71.17900 24.65631 0.000000       24.65631 
1 1 1 -22 24 30 o 121.0762 19.13719 487.1546       131.3793 235.1519       503.6526 505.5539       136.0910 87.86369 40.78394 123.1138 19.49707 -35.25010      45.20470 
1 1 1 -22 24 31 o 79.46352 25.25371 231.2950       132.2957 364.4752       529.4404 222.4255       136.6299 91.46349 42.23001 77.93066 25.73662 13.53282       49.45449 
1 1 1 -22 24 32 o 47.28598 21.43702 -27.42581      128.4137 -589.9591      506.3495 11.24124       132.7538 65.17974 32.53081 51.29942 22.61996 13.88032       39.62217 
1 1 1 -22 24 33 o 55.87382 23.96521 50.85328       140.6261 102.4935       524.6932 46.85675       145.9664 80.73660 38.68988 56.13653 24.25002 24.60006       45.66148 
1 1 1 -22 24 34 o 47.03389 21.88687 -66.04272      146.4715 -147.3122      464.4051 -57.06545      154.3495 70.79349 34.51057 48.83443 22.63649 21.95906       41.27214 
1 1 1 -22 24 35 o 40.57181 19.61419 -164.1495      141.9828 -317.6018      443.6501 -146.6393      149.8648 65.32580 32.22278 42.81112 20.55802 22.51468       38.22224 
1 1 1 -22 24 36 o 44.49507 20.95666 -87.72380      141.2489 -715.4214      467.3095 -24.61061      148.1799 58.68466 29.55922 49.79829 22.75070 8.886368       37.30069 
1 1 1 -22 25 1  o 344.6905 12.35899 3532.312       249.4361 3219.067       289.8805 4425.824       489.5839 327.9171 15.11381 380.3761 22.04081 -52.45898      26.72498 
1 1 1 -22 25 2  o 220.9214 11.91047 1452.074       153.7477 1347.097       175.1002 1805.473       321.2718 212.1282 14.15566 241.9803 22.91108 -29.85204      26.93140 
1 1 1 -22 25 3  o 588.1542 27.84789 10820.50       957.8531 0.000000       0.000000 10820.50       957.8531 ?        ?        588.1542 27.84789 0.000000       27.84789 
1 1 1 -22 25 4  o 233.5084 13.58050 1629.004       185.1785 1685.479       195.0765 1114.465       588.8228 237.3731 14.07594 172.0761 53.07469 65.29701       54.90952 
1 1 1 -22 25 5  o 144.6966 16.03603 634.5472       133.8018 523.9005       145.3999 1246.274       341.8799 130.2257 19.64869 196.6474 30.64209 -66.42163      36.40067 
1 1 1 -22 25 6  o 325.8699 11.21130 3151.597       213.9457 2963.994       269.5313 3471.125       351.7578 314.6814 14.64469 339.0052 17.75429 -24.32373      23.01482 
1 1 1 -22 25 7  o 162.6347 14.19189 795.1593       134.0097 928.3928       153.9265 377.9344       272.3904 175.5522 15.09702 108.3526 36.35399 67.19963       39.36411 
1 1 1 -22 25 8  o 113.7007 19.26360 401.6008       123.8736 485.5682       139.0925 79.65445       272.3580 125.1651 19.59031 80.83387 33.95210 44.33122       39.19854 
1 1 1 -22 25 9  o 92.74864 22.43850 274.1749       120.7146 190.7425       135.2309 601.4045       267.8150 78.86916 25.57831 133.5981 34.07740 -54.72897      42.60891 
1 1 1 -22 25 10 o 278.1697 11.75236 2303.708       191.2959 2427.983       246.6120 2115.966       303.1115 284.3288 14.84051 262.9529 19.80051 21.37598       24.74471 
1 1 1 -22 25 11 o 133.2034 14.67274 537.6893       112.7279 0.000000       0.000000 537.6893       112.7279 ?        ?        133.2034 14.67274 0.000000       14.67274 
1 1 1 -22 25 12 o 92.52235 22.68514 274.7076       122.1327 0.000000       0.000000 274.7076       122.1327 ?        ?        92.52235 22.68514 0.000000       22.68514 
1 1 1 -22 25 13 o 49.35506 21.54695 -12.93439      117.7811 0.000000       0.000000 -12.93439      117.7811 ?        ?        49.35506 21.54695 0.000000       21.54695 
1 1 1 -22 25 14 o 99.29521 22.34637 317.3242       126.9803 0.000000       0.000000 317.3242       126.9803 ?        ?        99.29521 22.34637 0.000000       22.34637 
1 1 1 -22 25 15 o 60.43702 23.08351 86.93026       113.8813 0.000000       0.000000 86.93026       113.8813 ?        ?        60.43702 23.08351 0.000000       23.08351 
1 1 1 -22 25 16 o 190.0596 13.34877 1091.071       147.8464 0.000000       0.000000 1091.071       147.8464 ?        ?        190.0596 13.34877 0.000000       13.34877 
1 1 1 -22 25 17 o 96.09233 20.95292 298.6196       114.7460 0.000000       0.000000 298.6196       114.7460 ?        ?        96.09233 20.95292 0.000000       20.95292 
1 1 1 -22 25 18 o 71.41424 23.82180 160.0101       116.9823 0.000000       0.000000 160.0101       116.9823 ?        ?        71.41424 23.82180 0.000000       23.82180 
1 1 1 -22 25 19 o 127.4888 20.09166 520.2610       145.2560 0.000000       0.000000 520.2610       145.2560 ?        ?        127.4888 20.09166 0.000000       20.09166 
1 1 1 -22 25 20 o 174.8168 12.77899 928.1654       130.1127 0.000000       0.000000 928.1654       130.1127 ?        ?        174.8168 12.77899 0.000000       12.77899 
1 1 1 -22 25 21 o 80.97942 22.54678 218.8112       111.0148 0.000000       0.000000 218.8112       111.0148 ?        ?        80.97942 22.54678 0.000000       22.54678 
1 1 1 -22 25 22 o 110.9881 18.11530 393.7515       113.8522 0.000000       0.000000 393.7515       113.8522 ?        ?        110.9881 18.11530 0.000000       18.11530 
1 1 1 -22 25 23 f 37.61544 17.94317 -125.4285      110.1062 0.000000       0.000000 -125.4285      110.1062 ?        ?        37.61544 17.94317 0.000000       17.94317 
1 1 1 -22 25 24 f 90.54778 21.31977 275.1954       111.3300 0.000000       0.000000 275.1954       111.3300 ?        ?        90.54778 21.31977 0.000000       21.31977 
1 1 1 -22 25 25 f 56.91623 22.47345 78.12090       110.7498 0.000000       0.000000 78.12090       110.7498 ?        ?        56.91623 22.47345 0.000000       22.47345 
1 1 1 -22 25 26 o 213.5760 10.58778 1381.072       132.2062 0.000000       0.000000 1381.072       132.2062 ?        ?        213.5760 10.58778 0.000000       10.58778 
1 1 1 -22 25 27 o 117.0619 18.21661 446.7585       120.9976 0.000000       0.000000 446.7585       120.9976 ?        ?        117.0619 18.21661 0.000000       18.21661 
1 1 1 -22 25 28 o 97.50633 22.09159 328.6378       123.3951 0.000000       0.000000 328.6378       123.3951 ?        ?        97.50633 22.09159 0.000000       22.09159 
1 1 1 -22 25 29 o 138.4915 17.22386 621.8679       136.8812 0.000000       0.000000 621.8679       136.8812 ?        ?        138.4915 17.22386 0.000000       17.22386 
1 1 1 -22 25 30 o 43.59385 20.49620 -94.94326      134.0630 0.000000       0.000000 -94.94326      134.0630 ?        ?        43.59385 20.49620 0.000000       20.49620 
1 1 1 -22 25 31 o 64.22408 25.72512 120.9190       147.1444 0.000000       0.000000 120.9190       147.1444 ?        ?        64.22408 25.72512 0.000000       25.72512 
1 1 1 -22 25 32 o 50.90097 22.92720 -11.47929      144.1246 233.8566       485.8003 -35.15672      150.9192 84.09396 39.37127 50.12901 22.92385 33.96495       45.55875 
1 1 1 -22 25 33 o 128.7077 20.37476 570.0487       148.6818 -545.1953      496.4664 679.9280       155.8342 64.17609 32.05789 141.8054 19.23317 -77.62934      37.38480 
1 1 1 -22 25 34 o 57.43114 24.70583 60.71130       150.2827 1453.340       481.3993 -89.66299      158.1884 152.9909 48.11639 47.29343 22.24452 105.6974       53.00948 
1 1 1 -22 25 35 o 55.06096 23.92476 45.98857       143.7670 53.72635       463.5632 45.16512       151.2234 75.00880 36.05491 55.83628 24.39496 19.17252       43.53241 
1 1 1 -22 26 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 26 2  o 622.5300 28.88776 12265.24       1051.814 0.000000       0.000000 12265.24       1051.814 ?        ?        622.5300 28.88776 0.000000       28.88776 
1 1 1 -22 26 3  o 315.1585 13.66353 2968.769       251.9471 3029.795       275.3291 2654.567       624.7426 317.8639 14.81003 279.9470 39.11833 37.91696       41.82799 
1 1 1 -22 26 4  o 280.5032 19.99076 2405.286       326.7096 0.000000       0.000000 2405.286       326.7096 ?        ?        280.5032 19.99076 0.000000       19.99076 
1 1 1 -22 26 5  o 192.9468 13.26863 1115.151       149.2320 936.6609       169.1184 1743.029       317.1918 175.6824 16.61117 236.8232 23.13201 -61.14087      28.47843 
1 1 1 -22 26 6  o 226.7694 12.07434 1533.721       160.0038 1529.188       186.2370 1546.499       312.6664 225.7337 14.13857 222.1380 24.40107 3.595688       28.20127 
1 1 1 -22 26 7  o 226.9636 23.01713 1604.625       302.1463 0.000000       0.000000 1604.625       302.1463 ?        ?        226.9636 23.01713 0.000000       23.01713 
1 1 1 -22 26 8  o 79.85174 22.44413 202.6055       109.4532 0.000000       0.000000 202.6055       109.4532 ?        ?        79.85174 22.44413 0.000000       22.44413 
1 1 1 -22 26 9  o 113.5628 17.56216 398.8350       113.1965 0.000000       0.000000 398.8350       113.1965 ?        ?        113.5628 17.56216 0.000000       17.56216 
1 1 1 -22 26 10 o 49.10599 20.94223 7.357371       106.2779 0.000000       0.000000 7.357371       106.2779 ?        ?        49.10599 20.94223 0.000000       20.94223 
1 1 1 -22 26 11 o 55.35799 21.98590 57.36360       106.5725 0.000000       0.000000 57.36360       106.5725 ?        ?        55.35799 21.98590 0.000000       21.98590 
1 1 1 -22 26 12 o 132.9106 14.88152 538.4613       114.0107 0.000000       0.000000 538.4613       114.0107 ?        ?        132.9106 14.88152 0.000000       14.88152 
1 1 1 -22 26 13 o 112.4808 17.52520 394.2452       111.8434 0.000000       0.000000 394.2452       111.8434 ?        ?        112.4808 17.52520 0.000000       17.52520 
1 1 1 -22 26 14 o 82.00400 22.81429 218.7370       113.7129 0.000000       0.000000 218.7370       113.7129 ?        ?        82.00400 22.81429 0.000000       22.81429 
1 1 1 -22 26 15 o 89.98688 40.08905 64.05650       427.6889 0.000000       0.000000 64.05650       427.6889 ?        ?        89.98688 40.08905 0.000000       40.08905 
1 1 1 -22 26 16 o 138.6438 14.83146 589.9602       118.7251 0.000000       0.000000 589.9602       118.7251 ?        ?        138.6438 14.83146 0.000000       14.83146 
1 1 1 -22 26 17 o 96.78397 21.97857 307.9170       121.8978 0.000000       0.000000 307.9170       121.8978 ?        ?        96.78397 21.97857 0.000000       21.97857 
1 1 1 -22 26 18 o 248.3376 10.10891 1845.467       146.9226 0.000000       0.000000 1845.467       146.9226 ?        ?        248.3376 10.10891 0.000000       10.10891 
1 1 1 -22 26 19 o 173.7318 12.40803 915.8260       125.5926 0.000000       0.000000 915.8260       125.5926 ?        ?        173.7318 12.40803 0.000000       12.40803 
1 1 1 -22 26 20 o 82.42006 26.08430 230.4142       141.2686 0.000000       0.000000 230.4142       141.2686 ?        ?        82.42006 26.08430 0.000000       26.08430 
1 1 1 -22 26 21 o 184.3105 36.70301 1298.710       382.7895 0.000000       0.000000 1298.710       382.7895 ?        ?        184.3105 36.70301 0.000000       36.70301 
1 1 1 -22 26 22 o 93.05090 22.60727 293.0441       122.1392 0.000000       0.000000 293.0441       122.1392 ?        ?        93.05090 22.60727 0.000000       22.60727 
1 1 1 -22 26 23 o 86.63333 22.58240 256.0288       115.8900 0.000000       0.000000 256.0288       115.8900 ?        ?        86.63333 22.58240 0.000000       22.58240 
1 1 1 -22 26 24 o 132.3817 15.71158 552.8924       119.6066 0.000000       0.000000 552.8924       119.6066 ?        ?        132.3817 15.71158 0.000000       15.71158 
1 1 1 -22 26 25 o 192.5385 11.92596 1132.830       134.0061 0.000000       0.000000 1132.830       134.0061 ?        ?        192.5385 11.92596 0.000000       11.92596 
1 1 1 -22 26 26 o 97.18552 22.40824 326.2654       125.1084 0.000000       0.000000 326.2654       125.1084 ?        ?        97.18552 22.40824 0.000000       22.40824 
1 1 1 -22 26 27 o 217.8138 11.64463 1451.551       148.2110 0.000000       0.000000 1451.551       148.2110 ?        ?        217.8138 11.64463 0.000000       11.64463 
1 1 1 -22 26 28 o 123.6870 20.24216 515.0167       141.7612 0.000000       0.000000 515.0167       141.7612 ?        ?        123.6870 20.24216 0.000000       20.24216 
1 1 1 -22 26 29 o 81.72988 26.24076 248.6149       142.5568 0.000000       0.000000 248.6149       142.5568 ?        ?        81.72988 26.24076 0.000000       26.24076 
1 1 1 -22 26 30 o 80.46055 26.81981 244.1609       148.2849 0.000000       0.000000 244.1609       148.2849 ?        ?        80.46055 26.81981 0.000000       26.81981 
1 1 1 -22 26 31 o 94.18044 26.76948 340.6276       154.8163 0.000000       0.000000 340.6276       154.8163 ?        ?        94.18044 26.76948 0.000000       26.76948 
1 1 1 -22 26 32 o 78.16975 27.71227 236.6391       159.0877 0.000000       0.000000 236.6391       159.0877 ?        ?        78.16975 27.71227 0.000000       27.71227 
1 1 1 -22 26 33 o 96.77123 26.24147 361.5118       152.6526 0.000000       0.000000 361.5118       152.6526 ?        ?        96.77123 26.24147 0.000000       26.24147 
1 1 1 -22 26 34 o 62.87148 25.15438 123.2474       140.5215 -855.2286      475.6939 216.7956       147.0856 57.31542 28.98416 75.05658 26.64268 -17.74116      39.36895 
1 1 1 -22 27 1  f 339.8224 11.37738 3436.251       226.4290 3252.133       255.1421 4118.935       491.2967 329.7433 13.22017 364.0297 23.13176 -34.28647      26.64304 
1 1 1 -22 27 2  o 246.4034 11.61093 1809.661       167.3174 1596.458       189.1418 2576.884       358.7998 230.5239 14.05693 288.8785 21.32848 -58.35464      25.54411 
1 1 1 -22 27 3  o 514.0110 28.30946 8430.731       850.1083 0.000000       0.000000 8430.731       850.1083 ?        ?        514.0110 28.30946 0.000000       28.30946 
1 1 1 -22 27 4  o 212.6902 11.28631 1348.457       140.2790 0.000000       0.000000 1348.457       140.2790 ?        ?        212.6902 11.28631 0.000000       11.28631 
1 1 1 -22 27 5  o 116.3844 16.05562 415.4521       106.6738 0.000000       0.000000 415.4521       106.6738 ?        ?        116.3844 16.05562 0.000000       16.05562 
1 1 1 -22 27 6  o 35.11681 16.99129 -166.0141      107.1113 0.000000       0.000000 -166.0141      107.1113 ?        ?        35.11681 16.99129 0.000000       16.99129 
1 1 1 -22 27 7  o 52.18224 21.83694 24.43433       112.0293 0.000000       0.000000 24.43433       112.0293 ?        ?        52.18224 21.83694 0.000000       21.83694 
1 1 1 -22 27 8  o 244.8478 10.26293 1783.637       147.0462 0.000000       0.000000 1783.637       147.0462 ?        ?        244.8478 10.26293 0.000000       10.26293 
1 1 1 -22 27 9  o 220.3818 10.69792 1448.306       137.8561 0.000000       0.000000 1448.306       137.8561 ?        ?        220.3818 10.69792 0.000000       10.69792 
1 1 1 -22 27 10 o 66.87154 22.72112 133.6667       106.4049 0.000000       0.000000 133.6667       106.4049 ?        ?        66.87154 22.72112 0.000000       22.72112 
1 1 1 -22 27 11 o 117.5556 16.56013 428.1230       111.0115 0.000000       0.000000 428.1230       111.0115 ?        ?        117.5556 16.56013 0.000000       16.56013 
1 1 1 -22 27 12 o 192.0757 10.94311 1104.505       122.7617 0.000000       0.000000 1104.505       122.7617 ?        ?        192.0757 10.94311 0.000000       10.94311 
1 1 1 -22 27 13 o 116.0665 17.62425 422.2820       116.2026 0.000000       0.000000 422.2820       116.2026 ?        ?        116.0665 17.62425 0.000000       17.62425 
1 1 1 -22 27 14 o 121.3949 19.43185 468.4899       133.6812 0.000000       0.000000 468.4899       133.6812 ?        ?        121.3949 19.43185 0.000000       19.43185 
1 1 1 -22 27 15 o 62.26876 23.80300 98.54827       121.1570 0.000000       0.000000 98.54827       121.1570 ?        ?        62.26876 23.80300 0.000000       23.80300 
1 1 1 -22 27 16 o 55.65774 22.51186 57.38752       113.8703 0.000000       0.000000 57.38752       113.8703 ?        ?        55.65774 22.51186 0.000000       22.51186 
1 1 1 -22 27 17 o 146.2185 14.08781 656.2070       119.3144 0.000000       0.000000 656.2070       119.3144 ?        ?        146.2185 14.08781 0.000000       14.08781 
1 1 1 -22 27 18 o 70.61046 24.27188 157.8562       121.4979 0.000000       0.000000 157.8562       121.4979 ?        ?        70.61046 24.27188 0.000000       24.27188 
1 1 1 -22 27 19 f 86.73342 23.21190 254.0938       120.3954 0.000000       0.000000 254.0938       120.3954 ?        ?        86.73342 23.21190 0.000000       23.21190 
1 1 1 -22 27 20 o 62.36903 23.56702 107.3438       117.9247 0.000000       0.000000 107.3438       117.9247 ?        ?        62.36903 23.56702 0.000000       23.56702 
1 1 1 -22 27 21 o 101.0528 19.48142 334.4091       111.2714 0.000000       0.000000 334.4091       111.2714 ?        ?        101.0528 19.48142 0.000000       19.48142 
1 1 1 -22 27 22 o 166.7793 11.95984 848.7751       116.2051 0.000000       0.000000 848.7751       116.2051 ?        ?        166.7793 11.95984 0.000000       11.95984 
1 1 1 -22 27 23 o 50.44469 25.14272 -580.2146      298.1441 0.000000       0.000000 -580.2146      298.1441 ?        ?        50.44469 25.14272 0.000000       25.14272 
1 1 1 -22 27 24 o 124.9059 16.03487 495.8827       114.7562 0.000000       0.000000 495.8827       114.7562 ?        ?        124.9059 16.03487 0.000000       16.03487 
1 1 1 -22 27 25 o 92.28253 22.88508 297.1540       123.2468 0.000000       0.000000 297.1540       123.2468 ?        ?        92.28253 22.88508 0.000000       22.88508 
1 1 1 -22 27 26 o 86.58378 23.80292 267.1031       124.6046 0.000000       0.000000 267.1031       124.6046 ?        ?        86.58378 23.80292 0.000000       23.80292 
1 1 1 -22 27 27 o 116.2319 20.58820 458.1960       135.2079 0.000000       0.000000 458.1960       135.2079 ?        ?        116.2319 20.58820 0.000000       20.58820 
1 1 1 -22 27 28 o 142.2484 18.17459 666.3302       148.1634 0.000000       0.000000 666.3302       148.1634 ?        ?        142.2484 18.17459 0.000000       18.17459 
1 1 1 -22 27 29 o 168.0207 15.74540 905.3248       153.3479 0.000000       0.000000 905.3248       153.3479 ?        ?        168.0207 15.74540 0.000000       15.74540 
1 1 1 -22 27 30 o 182.5018 15.01981 1062.148       159.3399 0.000000       0.000000 1062.148       159.3399 ?        ?        182.5018 15.01981 0.000000       15.01981 
1 1 1 -22 27 31 o 143.9395 19.85567 705.9490       163.1556 0.000000       0.000000 705.9490       163.1556 ?        ?        143.9395 19.85567 0.000000       19.85567 
1 1 1 -22 27 32 o 97.58434 27.03573 372.9329       160.0539 0.000000       0.000000 372.9329       160.0539 ?        ?        97.58434 27.03573 0.000000       27.03573 
1 1 1 -22 27 33 o 64.38589 26.02824 130.1291       152.1308 0.000000       0.000000 130.1291       152.1308 ?        ?        64.38589 26.02824 0.000000       26.02824 
1 1 1 -22 28 1  o 52.02496 21.07250 42.49257       99.93579 0.000000       0.000000 42.49257       99.93579 ?        ?        52.02496 21.07250 0.000000       21.07250 
1 1 1 -22 28 2  o 173.0710 12.00258 898.5728       121.0739 912.8165       490.4336 897.6483       124.9410 151.1959 48.68330 172.8490 12.40757 -21.65306      50.23954 
1 1 1 -22 28 3  o 110.4326 17.76313 380.2980       111.1440 0.000000       0.000000 380.2980       111.1440 ?        ?        110.4326 17.76313 0.000000       17.76313 
1 1 1 -22 28 4  o 50.68081 21.23980 22.78890       106.2226 0.000000       0.000000 22.78890       106.2226 ?        ?        50.68081 21.23980 0.000000       21.23980 
1 1 1 -22 28 5  o 280.1458 9.891590 2334.385       162.2627 0.000000       0.000000 2334.385       162.2627 ?        ?        280.1458 9.891590 0.000000       9.891590 
1 1 1 -22 28 6  o 102.1258 19.98118 332.0974       115.3884 0.000000       0.000000 332.0974       115.3884 ?        ?        102.1258 19.98118 0.000000       19.98118 
1 1 1 -22 28 7  o 46.81944 23.45846 -699.7501      275.2047 0.000000       0.000000 -699.7501      275.2047 ?        ?        46.81944 23.45846 0.000000       23.45846 
1 1 1 -22 28 8  o 197.0919 10.81572 1161.824       124.5394 0.000000       0.000000 1161.824       124.5394 ?        ?        197.0919 10.81572 0.000000       10.81572 
1 1 1 -22 28 9  o 46.64952 20.27384 -5.176105      103.2790 0.000000       0.000000 -5.176105      103.2790 ?        ?        46.64952 20.27384 0.000000       20.27384 
1 1 1 -22 28 10 o 142.1834 13.82928 615.9727       113.8633 0.000000       0.000000 615.9727       113.8633 ?        ?        142.1834 13.82928 0.000000       13.82928 
1 1 1 -22 28 11 o 135.8396 14.97187 567.0886       117.3000 0.000000       0.000000 567.0886       117.3000 ?        ?        135.8396 14.97187 0.000000       14.97187 
1 1 1 -22 28 12 o 49.67953 21.44717 4.443872       114.0327 0.000000       0.000000 4.443872       114.0327 ?        ?        49.67953 21.44717 0.000000       21.44717 
1 1 1 -22 28 13 o 95.64381 20.35972 297.2213       110.6966 0.000000       0.000000 297.2213       110.6966 ?        ?        95.64381 20.35972 0.000000       20.35972 
1 1 1 -22 28 14 o 138.0658 14.96352 588.1090       119.2284 0.000000       0.000000 588.1090       119.2284 ?        ?        138.0658 14.96352 0.000000       14.96352 
1 1 1 -22 28 15 o 129.6755 18.34083 533.3369       135.5961 0.000000       0.000000 533.3369       135.5961 ?        ?        129.6755 18.34083 0.000000       18.34083 
1 1 1 -22 28 16 o 56.43849 22.51049 67.27414       112.1825 0.000000       0.000000 67.27414       112.1825 ?        ?        56.43849 22.51049 0.000000       22.51049 
1 1 1 -22 28 17 o 78.77583 25.51383 207.9174       134.5763 0.000000       0.000000 207.9174       134.5763 ?        ?        78.77583 25.51383 0.000000       25.51383 
1 1 1 -22 28 18 o 55.41707 22.89230 50.53462       120.8621 0.000000       0.000000 50.53462       120.8621 ?        ?        55.41707 22.89230 0.000000       22.89230 
1 1 1 -22 28 19 o 58.40401 23.22841 78.26552       119.1201 0.000000       0.000000 78.26552       119.1201 ?        ?        58.40401 23.22841 0.000000       23.22841 
1 1 1 -22 28 20 o 89.73433 23.56599 277.6097       125.5890 0.000000       0.000000 277.6097       125.5890 ?        ?        89.73433 23.56599 0.000000       23.56599 
1 1 1 -22 28 21 o 40.68238 19.12725 -97.19678      116.7508 0.000000       0.000000 -97.19678      116.7508 ?        ?        40.68238 19.12725 0.000000       19.12725 
1 1 1 -22 28 22 o 95.64965 22.04003 312.7014       121.0946 0.000000       0.000000 312.7014       121.0946 ?        ?        95.64965 22.04003 0.000000       22.04003 
1 1 1 -22 28 23 f 49.68481 21.54496 13.10235       116.1025 0.000000       0.000000 13.10235       116.1025 ?        ?        49.68481 21.54496 0.000000       21.54496 
1 1 1 -22 28 24 o 114.5175 19.61836 435.7898       127.0230 0.000000       0.000000 435.7898       127.0230 ?        ?        114.5175 19.61836 0.000000       19.61836 
1 1 1 -22 28 25 o 55.77963 25.40478 -30.65512      182.9477 0.000000       0.000000 -30.65512      182.9477 ?        ?        55.77963 25.40478 0.000000       25.40478 
1 1 1 -22 28 26 o 62.69573 24.21646 117.3448       126.3071 0.000000       0.000000 117.3448       126.3071 ?        ?        62.69573 24.21646 0.000000       24.21646 
1 1 1 -22 28 27 o 101.6753 22.63661 365.5218       131.5126 0.000000       0.000000 365.5218       131.5126 ?        ?        101.6753 22.63661 0.000000       22.63661 
1 1 1 -22 28 28 o 45.02625 20.97099 -73.00716      134.9346 0.000000       0.000000 -73.00716      134.9346 ?        ?        45.02625 20.97099 0.000000       20.97099 
1 1 1 -22 28 29 o 91.86036 26.57944 324.0178       151.3257 0.000000       0.000000 324.0178       151.3257 ?        ?        91.86036 26.57944 0.000000       26.57944 
1 1 1 -22 28 30 o 49.40693 22.80326 -48.63427      154.1610 0.000000       0.000000 -48.63427      154.1610 ?        ?        49.40693 22.80326 0.000000       22.80326 
1 1 1 -22 28 31 o 119.7884 24.05474 524.5178       163.1165 0.000000       0.000000 524.5178       163.1165 ?        ?        119.7884 24.05474 0.000000       24.05474 
1 1 1 -22 28 32 o 203.9086 15.29002 1340.376       181.5181 0.000000       0.000000 1340.376       181.5181 ?        ?        203.9086 15.29002 0.000000       15.29002 
1 1 1 -22 29 1  o 219.6424 23.79424 1548.880       301.6163 1969.524       493.5713 1298.179       381.0397 234.6748 37.09315 191.5818 35.21005 43.09303       51.14342 
1 1 1 -22 29 2  o 238.4828 21.99147 1802.079       304.1206 0.000000       0.000000 1802.079       304.1206 ?        ?        238.4828 21.99147 0.000000       21.99147 
1 1 1 -22 29 3  o 263.1975 16.95448 2128.562       260.3158 2863.177       501.9691 1858.321       304.4545 292.4048 29.68214 242.4096 21.64260 49.99525       36.73461 
1 1 1 -22 29 4  o 176.2826 44.94630 1234.550       466.0325 0.000000       0.000000 1234.550       466.0325 ?        ?        176.2826 44.94630 0.000000       44.94630 
1 1 1 -22 29 5  o 41.06218 19.10096 -86.56568      111.3965 0.000000       0.000000 -86.56568      111.3965 ?        ?        41.06218 19.10096 0.000000       19.10096 
1 1 1 -22 29 6  o 85.28866 23.05715 239.5995       118.0675 0.000000       0.000000 239.5995       118.0675 ?        ?        85.28866 23.05715 0.000000       23.05715 
1 1 1 -22 29 7  o 41.64056 19.14364 -66.02555      107.1560 0.000000       0.000000 -66.02555      107.1560 ?        ?        41.64056 19.14364 0.000000       19.14364 
1 1 1 -22 29 8  f 205.0911 11.28425 1263.613       135.2051 0.000000       0.000000 1263.613       135.2051 ?        ?        205.0911 11.28425 0.000000       11.28425 
1 1 1 -22 29 9  o 42.98780 19.76298 -68.25515      114.2009 0.000000       0.000000 -68.25515      114.2009 ?        ?        42.98780 19.76298 0.000000       19.76298 
1 1 1 -22 29 10 o 136.7874 14.37797 574.4473       113.6213 0.000000       0.000000 574.4473       113.6213 ?        ?        136.7874 14.37797 0.000000       14.37797 
1 1 1 -22 29 11 o 208.7919 21.58713 1399.005       260.5298 0.000000       0.000000 1399.005       260.5298 ?        ?        208.7919 21.58713 0.000000       21.58713 
1 1 1 -22 29 12 o 76.19588 22.41010 191.4064       106.8014 0.000000       0.000000 191.4064       106.8014 ?        ?        76.19588 22.41010 0.000000       22.41010 
1 1 1 -22 29 13 o 95.47681 21.99682 302.5565       120.6357 0.000000       0.000000 302.5565       120.6357 ?        ?        95.47681 21.99682 0.000000       21.99682 
1 1 1 -22 29 14 o 130.9990 15.56857 534.1223       117.2732 0.000000       0.000000 534.1223       117.2732 ?        ?        130.9990 15.56857 0.000000       15.56857 
1 1 1 -22 29 15 o 65.09836 23.46384 126.5009       114.5347 0.000000       0.000000 126.5009       114.5347 ?        ?        65.09836 23.46384 0.000000       23.46384 
1 1 1 -22 29 16 o 71.76247 23.64045 168.5731       115.3047 0.000000       0.000000 168.5731       115.3047 ?        ?        71.76247 23.64045 0.000000       23.64045 
1 1 1 -22 29 17 o 71.20730 23.90446 165.9755       117.7715 0.000000       0.000000 165.9755       117.7715 ?        ?        71.20730 23.90446 0.000000       23.90446 
1 1 1 -22 29 18 o 139.7786 16.27802 616.1531       130.9480 0.000000       0.000000 616.1531       130.9480 ?        ?        139.7786 16.27802 0.000000       16.27802 
1 1 1 -22 29 19 o 127.0139 18.07095 519.9278       130.8183 0.000000       0.000000 519.9278       130.8183 ?        ?        127.0139 18.07095 0.000000       18.07095 
1 1 1 -22 29 20 o 90.92418 23.51922 287.6275       126.3525 0.000000       0.000000 287.6275       126.3525 ?        ?        90.92418 23.51922 0.000000       23.51922 
1 1 1 -22 29 21 o 44.70707 20.44631 -50.45522      120.0967 0.000000       0.000000 -50.45522      120.0967 ?        ?        44.70707 20.44631 0.000000       20.44631 
1 1 1 -22 29 22 o 43.85513 20.03928 -47.03141      115.0349 0.000000       0.000000 -47.03141      115.0349 ?        ?        43.85513 20.03928 0.000000       20.03928 
1 1 1 -22 29 23 o 149.8581 15.68087 713.2206       135.7786 0.000000       0.000000 713.2206       135.7786 ?        ?        149.8581 15.68087 0.000000       15.68087 
1 1 1 -22 29 24 o 57.20251 23.55758 70.98862       127.4669 0.000000       0.000000 70.98862       127.4669 ?        ?        57.20251 23.55758 0.000000       23.55758 
1 1 1 -22 29 25 o 60.37028 24.22828 96.69355       130.7822 0.000000       0.000000 96.69355       130.7822 ?        ?        60.37028 24.22828 0.000000       24.22828 
1 1 1 -22 29 26 o 75.81696 26.24848 210.3826       142.1848 0.000000       0.000000 210.3826       142.1848 ?        ?        75.81696 26.24848 0.000000       26.24848 
1 1 1 -22 29 27 o 61.57542 25.71739 90.87039       154.9280 0.000000       0.000000 90.87039       154.9280 ?        ?        61.57542 25.71739 0.000000       25.71739 
1 1 1 -22 29 28 o 123.8310 42.42021 843.8795       371.0271 0.000000       0.000000 843.8795       371.0271 ?        ?        123.8310 42.42021 0.000000       42.42021 
1 1 1 -22 29 29 o 77.44041 27.87773 231.6201       161.6197 0.000000       0.000000 231.6201       161.6197 ?        ?        77.44041 27.87773 0.000000       27.87773 
1 1 1 -22 29 30 o 58.11533 25.45567 49.54547       165.5879 0.000000       0.000000 49.54547       165.5879 ?        ?        58.11533 25.45567 0.000000       25.45567 
1 1 1 -22 29 31 o 143.0372 22.70702 732.9409       184.1269 0.000000       0.000000 732.9409       184.1269 ?        ?        143.0372 22.70702 0.000000       22.70702 
1 1 1 -22 30 1  o 229.9387 10.70421 1584.152       143.9540 1388.180       452.6437 1606.203       151.8372 188.8902 41.95162 231.2914 11.22710 -42.40121      43.42794 
1 1 1 -22 30 2  o 59.78633 23.27279 83.59285       117.3451 -900.4382      437.1516 160.0032       121.8158 60.37339 30.14659 71.55042 24.31089 -11.17702      38.72771 
1 1 1 -22 30 3  o 62.06330 24.23988 90.81193       127.6413 0.000000       0.000000 90.81193       127.6413 ?        ?        62.06330 24.23988 0.000000       24.23988 
1 1 1 -22 30 4  o 65.86497 31.15327 -227.0981      318.2645 -493.0898      434.8561 79.74224       467.0547 69.17606 33.64839 91.55017 41.25166 -22.37411      53.23451 
1 1 1 -22 30 5  o 53.28770 22.28501 33.51968       116.5593 0.000000       0.000000 33.51968       116.5593 ?        ?        53.28770 22.28501 0.000000       22.28501 
1 1 1 -22 30 6  o 61.68362 23.49882 97.88325       117.8211 0.000000       0.000000 97.88325       117.8211 ?        ?        61.68362 23.49882 0.000000       23.49882 
1 1 1 -22 30 7  o 172.5701 12.67222 903.5527       127.3591 0.000000       0.000000 903.5527       127.3591 ?        ?        172.5701 12.67222 0.000000       12.67222 
1 1 1 -22 30 8  f 122.7265 17.42636 474.4449       121.9064 0.000000       0.000000 474.4449       121.9064 ?        ?        122.7265 17.42636 0.000000       17.42636 
1 1 1 -22 30 9  o 42.31782 19.45637 -64.87678      110.7127 0.000000       0.000000 -64.87678      110.7127 ?        ?        42.31782 19.45637 0.000000       19.45637 
1 1 1 -22 30 10 o 58.94794 22.99439 82.80599       114.7452 0.000000       0.000000 82.80599       114.7452 ?        ?        58.94794 22.99439 0.000000       22.99439 
1 1 1 -22 30 11 o 115.9643 19.32811 432.6297       126.8269 0.000000       0.000000 432.6297       126.8269 ?        ?        115.9643 19.32811 0.000000       19.32811 
1 1 1 -22 30 12 o 126.9135 16.17036 504.4072       117.6292 0.000000       0.000000 504.4072       117.6292 ?        ?        126.9135 16.17036 0.000000       16.17036 
1 1 1 -22 30 13 o 117.3789 17.18014 436.6767       114.7666 0.000000       0.000000 436.6767       114.7666 ?        ?        117.3789 17.18014 0.000000       17.18014 
1 1 1 -22 30 14 o 70.72636 23.79350 162.5127       116.6769 0.000000       0.000000 162.5127       116.6769 ?        ?        70.72636 23.79350 0.000000       23.79350 
1 1 1 -22 30 15 f 88.74831 22.86379 268.1563       119.7357 0.000000       0.000000 268.1563       119.7357 ?        ?        88.74831 22.86379 0.000000       22.86379 
1 1 1 -22 30 16 o 51.52635 22.02537 23.17477       118.0433 0.000000       0.000000 23.17477       118.0433 ?        ?        51.52635 22.02537 0.000000       22.02537 
1 1 1 -22 30 17 o 69.74327 24.29041 159.0020       121.8498 0.000000       0.000000 159.0020       121.8498 ?        ?        69.74327 24.29041 0.000000       24.29041 
1 1 1 -22 30 18 o 119.5377 18.37815 463.7513       124.7228 0.000000       0.000000 463.7513       124.7228 ?        ?        119.5377 18.37815 0.000000       18.37815 
1 1 1 -22 30 19 o 77.24913 23.95797 207.1367       119.7884 0.000000       0.000000 207.1367       119.7884 ?        ?        77.24913 23.95797 0.000000       23.95797 
1 1 1 -22 30 20 o 70.92214 24.34813 170.0521       122.2512 0.000000       0.000000 170.0521       122.2512 ?        ?        70.92214 24.34813 0.000000       24.34813 
1 1 1 -22 30 21 o 89.17491 23.43356 280.4802       124.1317 0.000000       0.000000 280.4802       124.1317 ?        ?        89.17491 23.43356 0.000000       23.43356 
1 1 1 -22 30 22 o 215.2912 11.61585 1419.538       146.1223 0.000000       0.000000 1419.538       146.1223 ?        ?        215.2912 11.61585 0.000000       11.61585 
1 1 1 -22 30 23 f 47.55901 21.57893 -32.54716      130.4525 0.000000       0.000000 -32.54716      130.4525 ?        ?        47.55901 21.57893 0.000000       21.57893 
1 1 1 -22 30 24 o 49.07699 22.18713 -23.79075      136.4184 0.000000       0.000000 -23.79075      136.4184 ?        ?        49.07699 22.18713 0.000000       22.18713 
1 1 1 -22 30 25 o 53.90332 23.55021 26.35692       140.9283 0.000000       0.000000 26.35692       140.9283 ?        ?        53.90332 23.55021 0.000000       23.55021 
1 1 1 -22 30 26 f 43.04268 20.50253 -126.0781      142.6930 0.000000       0.000000 -126.0781      142.6930 ?        ?        43.04268 20.50253 0.000000       20.50253 
1 1 1 -22 30 27 o 103.8076 27.23962 417.5663       167.8856 0.000000       0.000000 417.5663       167.8856 ?        ?        103.8076 27.23962 0.000000       27.23962 
1 1 1 -22 30 28 o 70.73341 28.54565 171.2658       182.6356 0.000000       0.000000 171.2658       182.6356 ?        ?        70.73341 28.54565 0.000000       28.54565 
1 1 1 -22 30 29 o 75.57605 29.30116 219.0024       185.4332 0.000000       0.000000 219.0024       185.4332 ?        ?        75.57605 29.30116 0.000000       29.30116 
1 1 1 -22 31 1  o 94.34509 21.41493 293.2069       115.7706 125.7533       414.4567 307.3784       120.5699 89.47173 39.68443 96.46703 21.82334 -6.995300      45.28921 
1 1 1 -22 31 2  o 183.9650 13.35765 1031.013       143.1354 0.000000       0.000000 1031.013       143.1354 ?        ?        183.9650 13.35765 0.000000       13.35765 
1 1 1 -22 31 3  o 210.4793 13.12785 1346.777       161.2449 1301.215       430.8829 1354.196       173.8789 180.7655 41.51939 210.4503 14.17052 -29.68478      43.87099 
1 1 1 -22 31 4  o 146.4077 16.13104 666.8665       136.2158 0.000000       0.000000 666.8665       136.2158 ?        ?        146.4077 16.13104 0.000000       16.13104 
1 1 1 -22 31 5  o 221.9894 18.21399 1547.022       235.0472 2081.257       461.8065 1360.240       273.0623 240.2135 33.70639 203.9647 23.24158 36.24873       40.94254 
1 1 1 -22 31 6  o 97.64484 21.84048 315.8295       121.9355 0.000000       0.000000 315.8295       121.9355 ?        ?        97.64484 21.84048 0.000000       21.84048 
1 1 1 -22 31 7  o 103.4720 21.46733 352.9174       125.9984 0.000000       0.000000 352.9174       125.9984 ?        ?        103.4720 21.46733 0.000000       21.46733 
1 1 1 -22 31 8  o 127.6450 17.23915 514.1368       125.7576 0.000000       0.000000 514.1368       125.7576 ?        ?        127.6450 17.23915 0.000000       17.23915 
1 1 1 -22 31 9  o 155.9859 14.25937 749.2816       129.0064 0.000000       0.000000 749.2816       129.0064 ?        ?        155.9859 14.25937 0.000000       14.25937 
1 1 1 -22 31 10 o 123.7901 17.54480 486.6133       123.8105 0.000000       0.000000 486.6133       123.8105 ?        ?        123.7901 17.54480 0.000000       17.54480 
1 1 1 -22 31 11 o 43.02032 19.80186 -64.95179      115.1351 0.000000       0.000000 -64.95179      115.1351 ?        ?        43.02032 19.80186 0.000000       19.80186 
1 1 1 -22 31 12 o 190.6212 12.26622 1106.536       136.4021 0.000000       0.000000 1106.536       136.4021 ?        ?        190.6212 12.26622 0.000000       12.26622 
1 1 1 -22 31 13 o 100.8399 24.26012 351.3208       141.7214 0.000000       0.000000 351.3208       141.7214 ?        ?        100.8399 24.26012 0.000000       24.26012 
1 1 1 -22 31 14 o 81.90028 24.91642 233.3794       130.3397 0.000000       0.000000 233.3794       130.3397 ?        ?        81.90028 24.91642 0.000000       24.91642 
1 1 1 -22 31 15 o 60.47358 23.78761 93.42445       123.6630 0.000000       0.000000 93.42445       123.6630 ?        ?        60.47358 23.78761 0.000000       23.78761 
1 1 1 -22 31 16 o 132.1158 16.60339 555.5482       125.8135 0.000000       0.000000 555.5482       125.8135 ?        ?        132.1158 16.60339 0.000000       16.60339 
1 1 1 -22 31 17 f 162.8631 14.38291 826.8574       135.9684 0.000000       0.000000 826.8574       135.9684 ?        ?        162.8631 14.38291 0.000000       14.38291 
1 1 1 -22 31 18 o 74.00806 24.60746 189.1225       124.8460 0.000000       0.000000 189.1225       124.8460 ?        ?        74.00806 24.60746 0.000000       24.60746 
1 1 1 -22 31 19 o 58.55707 23.59937 82.07664       124.6393 0.000000       0.000000 82.07664       124.6393 ?        ?        58.55707 23.59937 0.000000       23.59937 
1 1 1 -22 31 20 o 111.0048 20.73174 417.2623       130.0051 0.000000       0.000000 417.2623       130.0051 ?        ?        111.0048 20.73174 0.000000       20.73174 
1 1 1 -22 31 21 o 68.59233 24.69250 158.3617       126.7973 0.000000       0.000000 158.3617       126.7973 ?        ?        68.59233 24.69250 0.000000       24.69250 
1 1 1 -22 31 22 o 49.27070 22.02646 -10.23861      130.2928 0.000000       0.000000 -10.23861      130.2928 ?        ?        49.27070 22.02646 0.000000       22.02646 
1 1 1 -22 31 23 o 53.54711 23.20329 31.29135       134.4689 0.000000       0.000000 31.29135       134.4689 ?        ?        53.54711 23.20329 0.000000       23.20329 
1 1 1 -22 31 24 o 52.84337 23.20055 19.40050       138.2716 0.000000       0.000000 19.40050       138.2716 ?        ?        52.84337 23.20055 0.000000       23.20055 
1 1 1 -22 31 25 o 84.79356 27.03948 277.5616       151.5617 0.000000       0.000000 277.5616       151.5617 ?        ?        84.79356 27.03948 0.000000       27.03948 
1 1 1 -22 31 26 o 56.60752 24.28968 56.00290       144.5680 0.000000       0.000000 56.00290       144.5680 ?        ?        56.60752 24.28968 0.000000       24.28968 
1 1 1 -22 31 27 f 106.2383 26.53917 433.5120       164.8628 0.000000       0.000000 433.5120       164.8628 ?        ?        106.2383 26.53917 0.000000       26.53917 
1 1 1 -22 31 28 o 80.74187 29.46068 264.9639       181.2948 0.000000       0.000000 264.9639       181.2948 ?        ?        80.74187 29.46068 0.000000       29.46068 
1 1 1 -22 32 1  o 167.7847 14.16638 865.4445       138.0984 705.8817       399.1923 887.1367       147.1864 126.7984 43.97704 169.4413 14.96514 -42.64284      46.45358 
1 1 1 -22 32 2  o 67.80316 25.95101 127.4129       144.1291 0.000000       0.000000 127.4129       144.1291 ?        ?        67.80316 25.95101 0.000000       25.95101 
1 1 1 -22 32 3  o 328.2833 13.56812 3288.408       260.6646 3573.419       483.2821 3171.478       309.5510 326.8358 25.41233 319.3330 16.58551 7.502808       30.34577 
1 1 1 -22 32 4  o 137.9846 18.24066 605.9016       144.0000 365.8246       436.6599 635.1964       152.5328 101.3519 42.80336 140.9102 18.93629 -39.55828      46.80503 
1 1 1 -22 32 5  o 79.95725 24.73516 216.6462       127.7789 0.000000       0.000000 216.6462       127.7789 ?        ?        79.95725 24.73516 0.000000       24.73516 
1 1 1 -22 32 6  o 74.27790 25.40180 180.8443       133.0289 0.000000       0.000000 180.8443       133.0289 ?        ?        74.27790 25.40180 0.000000       25.40180 
1 1 1 -22 32 7  o 65.29607 24.34473 123.6881       124.9414 0.000000       0.000000 123.6881       124.9414 ?        ?        65.29607 24.34473 0.000000       24.34473 
1 1 1 -22 32 8  o 122.0376 19.73106 484.3447       136.4027 0.000000       0.000000 484.3447       136.4027 ?        ?        122.0376 19.73106 0.000000       19.73106 
1 1 1 -22 32 9  o 141.7385 15.90625 630.5378       129.9439 0.000000       0.000000 630.5378       129.9439 ?        ?        141.7385 15.90625 0.000000       15.90625 
1 1 1 -22 32 10 o 141.5371 16.42360 632.5593       133.8013 0.000000       0.000000 632.5593       133.8013 ?        ?        141.5371 16.42360 0.000000       16.42360 
1 1 1 -22 32 11 o 51.54574 22.18583 18.72543       121.3116 0.000000       0.000000 18.72543       121.3116 ?        ?        51.54574 22.18583 0.000000       22.18583 
1 1 1 -22 32 12 o 143.2195 16.17651 647.9866       133.4992 0.000000       0.000000 647.9866       133.4992 ?        ?        143.2195 16.17651 0.000000       16.17651 
1 1 1 -22 32 13 o 44.09772 20.29373 -61.83371      120.8416 0.000000       0.000000 -61.83371      120.8416 ?        ?        44.09772 20.29373 0.000000       20.29373 
1 1 1 -22 32 14 o 133.2538 18.50203 575.8069       140.6982 0.000000       0.000000 575.8069       140.6982 ?        ?        133.2538 18.50203 0.000000       18.50203 
1 1 1 -22 32 15 o 104.9027 43.72579 528.8287       446.5536 0.000000       0.000000 528.8287       446.5536 ?        ?        104.9027 43.72579 0.000000       43.72579 
1 1 1 -22 32 16 o 97.44913 24.49988 336.7737       139.8520 0.000000       0.000000 336.7737       139.8520 ?        ?        97.44913 24.49988 0.000000       24.49988 
1 1 1 -22 32 17 o 109.0211 21.65834 405.8587       133.5974 0.000000       0.000000 405.8587       133.5974 ?        ?        109.0211 21.65834 0.000000       21.65834 
1 1 1 -22 32 18 o 108.5938 22.01845 406.2793       135.4256 0.000000       0.000000 406.2793       135.4256 ?        ?        108.5938 22.01845 0.000000       22.01845 
1 1 1 -22 32 19 o 53.35181 22.95765 32.23023       129.8392 0.000000       0.000000 32.23023       129.8392 ?        ?        53.35181 22.95765 0.000000       22.95765 
1 1 1 -22 32 20 o 68.82177 25.44621 159.0679       135.9749 0.000000       0.000000 159.0679       135.9749 ?        ?        68.82177 25.44621 0.000000       25.44621 
1 1 1 -22 32 21 o 62.98261 24.68340 117.7663       132.7318 0.000000       0.000000 117.7663       132.7318 ?        ?        62.98261 24.68340 0.000000       24.68340 
1 1 1 -22 32 22 o 48.82433 21.99449 -17.94804      132.6825 0.000000       0.000000 -17.94804      132.6825 ?        ?        48.82433 21.99449 0.000000       21.99449 
1 1 1 -22 32 23 o 74.50527 26.13464 203.8117       141.2049 0.000000       0.000000 203.8117       141.2049 ?        ?        74.50527 26.13464 0.000000       26.13464 
1 1 1 -22 32 24 o 54.76591 24.08715 27.94710       149.6448 0.000000       0.000000 27.94710       149.6448 ?        ?        54.76591 24.08715 0.000000       24.08715 
1 1 1 -22 32 25 o 59.63395 25.62921 69.86466       161.4365 0.000000       0.000000 69.86466       161.4365 ?        ?        59.63395 25.62921 0.000000       25.62921 
1 1 1 -22 32 26 f 60.43231 26.18466 69.83350       171.2159 0.000000       0.000000 69.83350       171.2159 ?        ?        60.43231 26.18466 0.000000       26.18466 
1 1 1 -22 32 27 o 113.9054 32.27836 565.3082       225.4340 0.000000       0.000000 565.3082       225.4340 ?        ?        113.9054 32.27836 0.000000       32.27836 
1 1 1 -22 33 1  o 210.3969 12.36861 1349.042       151.9466 0.000000       0.000000 1349.042       151.9466 ?        ?        210.3969 12.36861 0.000000       12.36861 
1 1 1 -22 33 2  o 92.60104 39.92610 267.7387       394.2086 267.7387       394.2086 0.000000       0.000000 92.60104 39.92610 ?        ?        0.000000       39.92610 
1 1 1 -22 33 3  o 295.4835 18.93745 2787.820       326.4473 3135.918       459.7787 2433.947       463.5772 302.6139 26.16327 259.0534 31.13618 43.56052       40.66914 
1 1 1 -22 33 4  o 103.2263 25.69131 374.1527       154.9156 0.000000       0.000000 374.1527       154.9156 ?        ?        103.2263 25.69131 0.000000       25.69131 
1 1 1 -22 33 5  o 119.3126 19.48557 464.3321       131.6466 749.1552       460.6005 438.9950       137.3773 122.6381 46.52253 114.9449 21.15802 7.693153       51.10780 
1 1 1 -22 33 6  o 51.41441 22.66654 -4.068986      133.2440 0.000000       0.000000 -4.068986      133.2440 ?        ?        51.41441 22.66654 0.000000       22.66654 
1 1 1 -22 33 7  o 95.78788 23.22206 315.4149       129.0858 -214.6851      448.3549 363.3275       134.7933 74.68927 35.78471 103.1871 22.87453 -28.49783      42.47104 
1 1 1 -22 33 8  o 49.99292 22.28892 -17.66481      132.4703 0.000000       0.000000 -17.66481      132.4703 ?        ?        49.99292 22.28892 0.000000       22.28892 
1 1 1 -22 33 9  o 66.69611 25.25783 132.1908       135.6273 0.000000       0.000000 132.1908       135.6273 ?        ?        66.69611 25.25783 0.000000       25.25783 
1 1 1 -22 33 10 o 154.1230 15.12568 743.8948       134.9612 0.000000       0.000000 743.8948       134.9612 ?        ?        154.1230 15.12568 0.000000       15.12568 
1 1 1 -22 33 11 o 69.30669 25.38879 153.4543       134.8438 0.000000       0.000000 153.4543       134.8438 ?        ?        69.30669 25.38879 0.000000       25.38879 
1 1 1 -22 33 12 o 145.6953 16.34254 674.4192       137.2377 0.000000       0.000000 674.4192       137.2377 ?        ?        145.6953 16.34254 0.000000       16.34254 
1 1 1 -22 33 13 o 166.5159 13.74555 861.0451       133.0413 0.000000       0.000000 861.0451       133.0413 ?        ?        166.5159 13.74555 0.000000       13.74555 
1 1 1 -22 33 14 o 56.94453 23.77090 59.50397       132.2614 0.000000       0.000000 59.50397       132.2614 ?        ?        56.94453 23.77090 0.000000       23.77090 
1 1 1 -22 33 15 o 75.68815 25.14599 202.0051       130.3763 0.000000       0.000000 202.0051       130.3763 ?        ?        75.68815 25.14599 0.000000       25.14599 
1 1 1 -22 33 16 o 132.4136 24.78845 621.5365       185.4274 0.000000       0.000000 621.5365       185.4274 ?        ?        132.4136 24.78845 0.000000       24.78845 
1 1 1 -22 33 17 o 73.91124 25.85799 192.7474       138.1732 0.000000       0.000000 192.7474       138.1732 ?        ?        73.91124 25.85799 0.000000       25.85799 
1 1 1 -22 33 18 o 46.98711 21.96722 -87.22417      150.3413 0.000000       0.000000 -87.22417      150.3413 ?        ?        46.98711 21.96722 0.000000       21.96722 
1 1 1 -22 33 19 o 73.68709 26.40445 194.1391       144.8012 0.000000       0.000000 194.1391       144.8012 ?        ?        73.68709 26.40445 0.000000       26.40445 
1 1 1 -22 33 20 o 77.45965 27.44805 222.9577       156.0533 0.000000       0.000000 222.9577       156.0533 ?        ?        77.45965 27.44805 0.000000       27.44805 
1 1 1 -22 33 21 o 67.77828 26.48469 149.6095       152.4372 0.000000       0.000000 149.6095       152.4372 ?        ?        67.77828 26.48469 0.000000       26.48469 
1 1 1 -22 33 22 o 103.2795 26.02205 403.0049       157.5251 0.000000       0.000000 403.0049       157.5251 ?        ?        103.2795 26.02205 0.000000       26.02205 
1 1 1 -22 33 23 o 83.23313 28.15352 273.8193       163.3545 0.000000       0.000000 273.8193       163.3545 ?        ?        83.23313 28.15352 0.000000       28.15352 
1 1 1 -22 33 24 o 61.14717 26.28750 78.29393       169.9334 0.000000       0.000000 78.29393       169.9334 ?        ?        61.14717 26.28750 0.000000       26.28750 
1 1 1 -22 33 25 o 124.3015 24.44743 568.5629       171.8683 0.000000       0.000000 568.5629       171.8683 ?        ?        124.3015 24.44743 0.000000       24.44743 
1 1 1 -22 34 1  o 86.11037 27.34040 265.1314       155.0927 -195.3686      417.4474 338.8739       167.0497 72.90222 34.82017 96.48972 27.92840 -23.58750      44.63675 
1 1 1 -22 34 2  o 74.64878 26.96390 184.6410       151.3519 0.000000       0.000000 184.6410       151.3519 ?        ?        74.64878 26.96390 0.000000       26.96390 
1 1 1 -22 34 3  o 170.4406 14.52016 903.3196       143.7620 895.1874       413.8970 904.4352       153.3069 136.3090 44.78407 169.8375 15.56425 -33.52846      47.41159 
1 1 1 -22 34 4  o 101.3292 22.47663 350.4156       130.0745 -166.3223      406.2789 409.4320       137.3016 72.78790 34.64974 110.0316 22.04573 -37.24372      41.06846 
1 1 1 -22 34 5  o 52.32085 23.01430 2.079466       136.6459 0.000000       0.000000 2.079466       136.6459 ?        ?        52.32085 23.01430 0.000000       23.01430 
1 1 1 -22 34 6  o 54.36697 23.24603 32.35725       131.5555 88.35782       434.1113 26.69428       138.0470 83.59590 38.46829 54.78355 23.62382 28.81235       45.14304 
1 1 1 -22 34 7  o 50.90547 22.70360 -14.70484      137.5687 -337.4535      437.8372 20.64761       144.9073 69.52543 33.80585 55.17162 23.99567 14.35381       41.45633 
1 1 1 -22 34 8  o 51.73788 22.28532 21.56613       122.5794 291.2435       442.1493 -0.8868284     127.5802 92.31411 40.96460 50.38486 22.19742 41.92925       46.59210 
1 1 1 -22 34 9  o 89.35921 24.36898 282.4013       131.2074 371.9068       436.9003 273.5287       137.5570 95.96559 41.70264 87.46870 25.35114 8.496887       48.80359 
1 1 1 -22 34 10 o 46.80437 21.77648 -83.92935      144.9043 0.000000       0.000000 -83.92935      144.9043 ?        ?        46.80437 21.77648 0.000000       21.77648 
1 1 1 -22 34 11 o 48.92776 22.35371 -47.62641      143.0688 0.000000       0.000000 -47.62641      143.0688 ?        ?        48.92776 22.35371 0.000000       22.35371 
1 1 1 -22 34 12 o 63.47979 25.08195 111.9625       138.0358 0.000000       0.000000 111.9625       138.0358 ?        ?        63.47979 25.08195 0.000000       25.08195 
1 1 1 -22 34 13 o 129.3257 18.66773 549.9890       137.4948 0.000000       0.000000 549.9890       137.4948 ?        ?        129.3257 18.66773 0.000000       18.66773 
1 1 1 -22 34 14 o 68.67258 25.55067 154.9273       137.4884 0.000000       0.000000 154.9273       137.4884 ?        ?        68.67258 25.55067 0.000000       25.55067 
1 1 1 -22 34 15 o 102.6026 22.94348 370.8478       134.5924 0.000000       0.000000 370.8478       134.5924 ?        ?        102.6026 22.94348 0.000000       22.94348 
1 1 1 -22 34 16 o 93.89861 25.12933 323.7530       141.1080 0.000000       0.000000 323.7530       141.1080 ?        ?        93.89861 25.12933 0.000000       25.12933 
1 1 1 -22 34 17 o 61.37100 25.56452 87.81836       152.5002 0.000000       0.000000 87.81836       152.5002 ?        ?        61.37100 25.56452 0.000000       25.56452 
1 1 1 -22 34 18 o 84.45424 27.56010 272.9771       156.8677 0.000000       0.000000 272.9771       156.8677 ?        ?        84.45424 27.56010 0.000000       27.56010 
1 1 1 -22 34 19 o 76.18970 28.08984 215.6507       165.4908 0.000000       0.000000 215.6507       165.4908 ?        ?        76.18970 28.08984 0.000000       28.08984 
1 1 1 -22 34 20 f 76.06972 28.57017 217.1422       172.7254 0.000000       0.000000 217.1422       172.7254 ?        ?        76.06972 28.57017 0.000000       28.57017 
1 1 1 -22 34 21 f 89.73853 29.54889 328.5508       180.1505 0.000000       0.000000 328.5508       180.1505 ?        ?        89.73853 29.54889 0.000000       29.54889 
1 1 1 -22 34 22 o 106.0942 28.49493 447.6706       181.0385 0.000000       0.000000 447.6706       181.0385 ?        ?        106.0942 28.49493 0.000000       28.49493 
1 1 1 -22 34 23 o 93.93496 29.83931 366.8661       184.7200 0.000000       0.000000 366.8661       184.7200 ?        ?        93.93496 29.83931 0.000000       29.83931 
1 1 1 -22 35 1  o 85.13600 26.38820 261.2100       145.3475 1018.624       425.0894 160.9372       154.6698 143.1783 45.23940 71.16718 26.96778 72.01110       52.66749 
1 1 1 -22 35 2  o 114.0370 22.01833 442.2708       141.9260 -117.1006      406.0946 520.1007       151.4782 73.50763 34.89174 124.2098 21.57678 -50.70221      41.02427 
1 1 1 -22 35 3  o 182.8757 13.95088 1039.240       148.4971 1029.027       402.0282 1040.853       159.7976 146.9951 43.54388 182.1556 15.09350 -35.16055      46.08561 
1 1 1 -22 35 4  o 170.6882 14.88242 913.3950       147.4917 1493.863       419.6961 831.6066       157.5403 187.3434 39.44744 161.3339 16.90056 26.00948       42.91537 
1 1 1 -22 35 5  o 129.1471 20.24890 554.6118       148.3308 0.000000       0.000000 554.6118       148.3308 ?        ?        129.1471 20.24890 0.000000       20.24890 
1 1 1 -22 35 6  o 140.8628 16.87125 636.2815       136.6087 1164.554       433.2664 577.9666       143.9514 153.4547 45.13813 132.6816 19.04445 20.77313       48.99124 
1 1 1 -22 35 7  o 69.27328 25.76761 155.4021       139.8161 -442.9873      421.5446 229.3669       148.2055 64.67778 31.80716 79.83398 26.81595 -15.15620      41.60277 
1 1 1 -22 35 8  o 63.03781 24.90772 109.6883       136.1266 -334.9874      425.6810 160.3420       143.6708 67.49960 32.93465 70.01553 26.10546 -2.515938      42.02602 
1 1 1 -22 35 9  o 79.20397 25.10200 224.6928       130.7881 1051.132       431.6649 141.1571       137.2389 141.5594 45.68173 67.02316 25.40156 74.53625       52.26911 
1 1 1 -22 35 10 o 72.57790 25.66245 182.2890       136.3485 494.3398       430.7425 147.5399       143.7398 100.0736 42.39958 68.14368 25.95625 31.92994       49.71370 
1 1 1 -22 35 11 o 85.26449 26.49178 269.0901       146.3916 0.000000       0.000000 269.0901       146.3916 ?        ?        85.26449 26.49178 0.000000       26.49178 
1 1 1 -22 35 12 o 66.97035 26.30140 137.0066       150.9728 0.000000       0.000000 137.0066       150.9728 ?        ?        66.97035 26.30140 0.000000       26.30140 
1 1 1 -22 35 13 f 72.89707 26.74246 186.0802       149.6903 0.000000       0.000000 186.0802       149.6903 ?        ?        72.89707 26.74246 0.000000       26.74246 
1 1 1 -22 35 14 o 87.12815 26.07424 283.2603       143.5782 0.000000       0.000000 283.2603       143.5782 ?        ?        87.12815 26.07424 0.000000       26.07424 
1 1 1 -22 35 15 o 77.01688 27.05985 218.4623       151.4215 0.000000       0.000000 218.4623       151.4215 ?        ?        77.01688 27.05985 0.000000       27.05985 
1 1 1 -22 35 16 o 46.53128 21.85792 -95.14605      151.8803 0.000000       0.000000 -95.14605      151.8803 ?        ?        46.53128 21.85792 0.000000       21.85792 
1 1 1 -22 35 17 o 67.94337 27.51719 142.6870       170.3895 0.000000       0.000000 142.6870       170.3895 ?        ?        67.94337 27.51719 0.000000       27.51719 
1 1 1 -22 35 18 o 72.49301 28.26859 186.3162       173.3734 0.000000       0.000000 186.3162       173.3734 ?        ?        72.49301 28.26859 0.000000       28.26859 
1 1 1 -22 35 19 o 79.79709 28.80917 249.3039       172.7496 0.000000       0.000000 249.3039       172.7496 ?        ?        79.79709 28.80917 0.000000       28.80917 
1 1 1 -22 35 20 o 135.0255 25.05119 669.6810       191.0762 0.000000       0.000000 669.6810       191.0762 ?        ?        135.0255 25.05119 0.000000       25.05119 
1 1 1 -22 35 21 o 94.85953 30.51076 378.9636       192.6662 0.000000       0.000000 378.9636       192.6662 ?        ?        94.85953 30.51076 0.000000       30.51076 
1 1 1 -22 36 1  o 93.49557 27.04408 324.2852       156.6854 109.4305       381.8828 367.7760       171.8132 79.91354 36.51431 98.71178 28.24763 -18.79824      46.16518 
1 1 1 -22 36 2  o 61.84364 26.13105 74.23405       162.8747 0.000000       0.000000 74.23405       162.8747 ?        ?        61.84364 26.13105 0.000000       26.13105 
1 1 1 -22 36 3  o 97.93325 37.01221 418.8501       290.8914 355.8863       405.9106 485.3273       417.0821 92.71056 40.24302 100.1394 42.03521 -7.428886      58.19329 
1 1 1 -22 36 4  o 165.1773 17.02497 877.5685       162.5654 652.7007       416.2851 918.0320       176.5870 110.8638 43.63343 167.9218 18.22264 -57.05798      47.28574 
1 1 1 -22 36 5  o 137.0149 19.20477 620.7452       150.0902 1581.807       426.9205 485.2081       160.3248 190.1975 39.56335 117.1460 24.13910 73.05147       46.34603 
1 1 1 -22 36 6  o 100.2246 25.56352 366.5892       150.7151 0.000000       0.000000 366.5892       150.7151 ?        ?        100.2246 25.56352 0.000000       25.56352 
1 1 1 -22 36 7  o 89.13043 25.62543 291.8662       141.0781 553.8401       413.8631 257.4225       150.0661 103.2059 42.46999 83.25818 26.94028 19.94776       50.29392 
1 1 1 -22 36 8  o 52.35647 23.31843 -1.811499      144.6012 205.1429       434.9323 -27.53005      153.3231 84.72160 38.80789 51.64534 23.41760 33.07626       45.32589 
1 1 1 -22 36 9  o 61.26109 25.18501 91.12405       145.3547 440.6933       457.1611 51.81088       153.3104 95.42805 42.03112 58.19208 24.99218 37.23597       48.90014 
1 1 1 -22 36 10 o 105.0726 26.05640 408.1222       159.7737 0.000000       0.000000 408.1222       159.7737 ?        ?        105.0726 26.05640 0.000000       26.05640 
1 1 1 -22 36 11 o 79.50266 26.97615 234.7291       149.9848 339.9597       456.2228 221.9778       158.8123 90.07329 40.66154 77.64240 27.67152 12.43089       49.18409 
1 1 1 -22 36 12 o 60.30300 25.74851 68.03375       161.0035 0.000000       0.000000 68.03375       161.0035 ?        ?        60.30300 25.74851 0.000000       25.74851 
1 1 1 -22 36 13 o 65.78592 26.70775 125.1868       160.9591 0.000000       0.000000 125.1868       160.9591 ?        ?        65.78592 26.70775 0.000000       26.70775 
1 1 1 -22 36 14 o 88.16354 27.88355 302.6846       161.4536 0.000000       0.000000 302.6846       161.4536 ?        ?        88.16354 27.88355 0.000000       27.88355 
1 1 1 -22 36 15 o 75.77509 27.87164 214.1831       162.7708 0.000000       0.000000 214.1831       162.7708 ?        ?        75.77509 27.87164 0.000000       27.87164 
1 1 1 -22 36 16 o 51.20490 24.13864 -102.2545      188.1602 0.000000       0.000000 -102.2545      188.1602 ?        ?        51.20490 24.13864 0.000000       24.13864 
1 1 1 -22 36 17 o 97.87246 31.25900 404.8065       202.4927 0.000000       0.000000 404.8065       202.4927 ?        ?        97.87246 31.25900 0.000000       31.25900 
1 1 1 -22 36 18 o 53.34569 24.80727 -59.60814      187.6710 0.000000       0.000000 -59.60814      187.6710 ?        ?        53.34569 24.80727 0.000000       24.80727 
1 1 1 -22 36 19 o 55.08868 25.11010 -11.89107      179.1811 0.000000       0.000000 -11.89107      179.1811 ?        ?        55.08868 25.11010 0.000000       25.11010 
1 1 1 -22 37 1  f 79.96740 28.10082 236.4148       163.3001 79.34515       403.8213 267.1217       178.5505 78.60959 36.49891 83.77480 29.38799 -5.165215      46.85962 
1 1 1 -22 37 2  o 131.0494 24.10244 606.5195       178.4209 -65.21482      417.4793 756.6302       197.3522 73.94691 35.17954 147.0626 23.68612 -73.11568      42.41029 
1 1 1 -22 37 3  f 56.79936 24.86822 29.22767       157.8779 -289.1013      418.2575 82.11935       170.4902 67.24667 32.77480 62.90344 26.66406 4.343224       42.25115 
1 1 1 -22 37 4  o 127.6756 23.14759 569.8896       166.9455 1611.707       420.3874 374.8251       181.9043 192.2954 38.61857 97.89717 29.36071 94.39821       48.51232 
1 1 1 -22 37 5  o 121.1244 23.53967 517.3932       161.1920 637.0131       416.5085 496.3211       174.8141 107.6855 43.23047 116.1179 26.28449 -8.432404      50.59395 
1 1 1 -22 37 6  o 65.56094 26.19279 125.4648       152.1411 420.5144       407.1547 77.58160       164.0225 94.28078 40.61274 61.67929 26.14964 32.60149       48.30319 
1 1 1 -22 37 7  o 49.32769 22.58436 -43.74231      147.0622 -134.2318      396.7196 -29.32677      158.3435 69.86726 33.52368 52.08215 23.68730 17.78510       41.04784 
1 1 1 -22 37 8  o 89.26089 27.43274 304.7513       157.4786 47.53250       401.2801 351.5771       171.2138 76.17783 35.70293 95.00637 28.48285 -18.82854      45.67244 
1 1 1 -22 37 9  o 113.2094 25.11258 468.1183       162.3685 67.16940       411.6033 542.0095       176.6977 77.07251 36.13409 121.6419 25.58093 -44.56943      44.27253 
1 1 1 -22 37 10 o 59.00863 25.43281 57.89482       159.8405 112.7413       409.0744 48.01231       173.6448 78.39013 36.51146 59.65638 26.10071 18.73375       44.88134 
1 1 1 -22 37 11 o 62.04327 26.76379 73.92182       177.3047 0.000000       0.000000 73.92182       177.3047 ?        ?        62.04327 26.76379 0.000000       26.76379 
1 1 1 -22 37 12 o 59.82085 25.73879 65.54607       163.1719 221.8529       436.5622 40.16401       175.9222 82.81252 38.27530 59.03604 26.03498 23.77648       46.29059 
1 1 1 -22 37 13 o 105.3304 26.95567 424.9330       167.1901 381.7593       459.3147 431.5270       179.5042 89.37275 40.52725 104.5888 28.49554 -15.21604      49.54244 
1 1 1 -22 37 14 o 68.08257 28.48106 135.0576       190.4741 0.000000       0.000000 135.0576       190.4741 ?        ?        68.08257 28.48106 0.000000       28.48106 
1 1 1 -22 37 15 o 129.5610 25.99338 625.7859       190.6337 0.000000       0.000000 625.7859       190.6337 ?        ?        129.5610 25.99338 0.000000       25.99338 
1 1 1 -22 37 16 o 64.87063 28.41431 86.81035       206.3115 0.000000       0.000000 86.81035       206.3115 ?        ?        64.87063 28.41431 0.000000       28.41431 
1 1 1 -22 37 17 o 55.22817 25.85353 -66.70350      209.3658 0.000000       0.000000 -66.70350      209.3658 ?        ?        55.22817 25.85353 0.000000       25.85353 
1 1 1 -22 38 1  o 89.26431 28.24937 309.3889       165.6945 4.464639       345.1686 400.6956       188.8802 71.33051 33.32754 100.1034 29.89410 -28.77285      44.77032 
1 1 1 -22 38 2  o 66.53633 27.48017 122.5668       174.1144 95.23322       371.1283 130.2809       197.1584 76.48490 35.32937 68.84273 28.89954 7.642174       45.64371 
1 1 1 -22 38 3  o 82.90469 27.59782 262.4724       157.0230 155.8490       374.0083 285.2879       173.0093 79.18794 36.16492 85.39804 28.97288 -6.210098      46.33928 
1 1 1 -22 38 4  o 77.94202 28.28199 227.7678       166.7552 762.7586       386.1972 105.1659       184.8778 117.2737 42.96559 65.61429 27.78768 51.65945       51.16832 
1 1 1 -22 38 5  o 95.60606 27.32030 351.5435       160.8280 471.9317       368.3579 323.1893       178.7669 96.42874 39.91177 90.00671 29.42413 6.422035       49.58557 
1 1 1 -22 38 6  o 89.43604 27.86709 311.2369       161.8597 314.4825       342.0593 310.3005       183.7312 86.43505 37.22890 87.92182 29.85682 -1.486771      47.72233 
1 1 1 -22 38 7  o 62.40596 26.15258 94.01563       161.0339 -97.75610      329.2832 154.2978       184.6170 65.68764 31.24830 69.97420 28.53047 -4.286552      42.31364 
1 1 1 -22 38 8  o 69.87811 27.21049 164.9823       160.4568 -266.3356      306.5123 327.8023       188.3228 57.88873 28.17877 89.71207 30.22877 -31.82335      41.32580 
1 1 1 -22 38 9  o 59.93474 25.35207 77.31286       153.5838 301.7908       297.7533 -4.061911      179.2729 84.82270 35.55532 56.14031 25.40215 28.68239       43.69726 
1 1 1 -22 38 10 o 163.3958 17.62359 877.8932       166.2148 210.6489       306.5781 1155.672       197.8101 78.81866 34.57738 186.8903 18.28077 -108.0716      39.11242 
1 1 1 -22 38 11 f 54.02151 24.35813 -4.165483      163.1621 369.3860       347.3119 -109.9554      184.8275 88.89780 37.88358 50.35075 23.79288 38.54705       44.73552 
1 1 1 -22 38 12 o 59.62310 26.01269 56.35826       171.4212 441.0361       413.2568 -23.58635      188.3936 91.87375 40.22914 55.71001 25.52715 36.16374       47.64472 
1 1 1 -22 38 13 o 59.29690 26.23943 43.50469       180.1621 -220.4509      460.5087 91.20569       195.7655 68.95598 33.77473 64.40157 27.95125 4.554413       43.84068 
1 1 1 -22 39 1  o 86.54688 29.04150 296.1092       173.8299 733.0612       379.7466 180.2812       195.5166 114.9704 42.52186 73.08905 29.52128 41.88136       51.76500 
1 1 1 -22 39 2  o 89.90703 29.58360 324.4727       180.5858 801.1389       362.2267 166.8140       208.3206 122.7895 41.91804 72.34138 29.98490 50.44814       51.53849 
1 1 1 -22 39 3  o 168.8891 17.02252 929.0267       166.3091 835.7346       358.6769 954.5770       187.7066 126.3209 41.69867 168.8989 19.29551 -42.57800      45.94666 
1 1 1 -22 39 4  f 99.10459 28.34429 386.2614       173.0377 279.8718       341.3654 423.0507       200.7385 83.98456 36.67344 101.1123 30.95321 -17.12772      47.99002 
1 1 1 -22 39 5  o 134.4007 23.13055 640.0443       175.7464 1312.391       365.9684 438.5168       200.3615 171.8108 37.38470 103.0909 30.78998 68.71993       48.43180 
1 1 1 -22 39 6  o 41.25361 20.13785 -221.1859      159.6730 -279.4046      325.5272 -202.7409      183.2294 59.00057 28.79062 45.74134 22.15381 13.25923       36.32756 
1 1 1 -22 39 7  o 65.39560 26.48967 128.7293       157.9316 569.3956       292.6264 -52.38226      187.5995 107.5635 37.63052 53.90325 24.97556 53.66022       45.16454 
1 1 1 -22 39 8  o 48.64041 22.73487 -77.66831      160.8781 29.40621       280.7229 -130.0321      196.3135 67.00476 30.87005 50.74947 24.13798 16.25529       39.18676 
1 1 1 -22 39 9  o 121.2959 23.92945 534.3640       164.1782 438.6392       290.0872 579.4757       199.1411 94.70850 36.66769 121.4943 28.45163 -26.78585      46.41137 
1 1 1 -21 0  1  o 249.0173 27.09752 1899.547       383.8616 1899.547       383.8616 1899.547       383.8616 249.0173 27.09752 249.0173 27.09752 0.000000       0.000000 
1 1 1 -21 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  4  o 594.1105 16.35344 10413.50       568.8295 10413.50       568.8295 10413.50       568.8295 594.1105 16.35344 594.1105 16.35344 -0.000000      0.000000 
1 1 1 -21 0  5  o 698.8978 17.94712 14419.40       734.5331 14419.40       734.5331 14419.40       734.5331 698.8978 17.94712 698.8978 17.94712 0.000000       0.000000 
1 1 1 -21 0  6  o 155.7348 28.56684 786.0690       235.0021 786.0690       235.0021 786.0690       235.0021 155.7348 28.56684 155.7348 28.56684 0.000000       0.000000 
1 1 1 -21 0  7  o 626.5677 16.62097 11586.02       609.7944 11586.02       609.7944 11586.02       609.7944 626.5677 16.62097 626.5677 16.62097 0.000000       0.000000 
1 1 1 -21 0  8  o 99.73045 38.30285 403.1230       211.8228 403.1230       211.8228 403.1230       211.8228 99.73045 38.30285 99.73045 38.30285 0.000000       0.000000 
1 1 1 -21 0  9  f 750.4817 18.67624 16643.65       820.8653 16643.65       820.8653 16643.65       820.8653 750.4817 18.67624 750.4817 18.67624 0.000000       0.000000 
1 1 1 -21 0  10 o 36.51065 25.37587 -167.8795      191.8433 -167.8795      191.8433 -167.8795      191.8433 36.51065 25.37587 36.51065 25.37587 0.000000       0.000000 
1 1 1 -21 0  11 o 57.87517 33.71018 122.6093       188.9988 122.6093       188.9988 122.6093       188.9988 57.87517 33.71018 57.87517 33.71018 0.000000       0.000000 
1 1 1 -21 0  12 o 250.7382 15.40079 1872.611       224.4933 1872.611       224.4933 1872.611       224.4933 250.7382 15.40079 250.7382 15.40079 0.000000       0.000000 
1 1 1 -21 0  13 o 111.3072 32.70291 451.6217       185.4833 451.6217       185.4833 451.6217       185.4833 111.3072 32.70291 111.3072 32.70291 -0.000000      0.000000 
1 1 1 -21 0  14 o 188.3699 17.55437 1073.854       189.8411 1073.854       189.8411 1073.854       189.8411 188.3699 17.55437 188.3699 17.55437 -0.000000      0.000000 
1 1 1 -21 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  17 o 48.72522 30.26951 51.01745       173.5779 51.01745       173.5779 51.01745       173.5779 48.72522 30.26951 48.72522 30.26951 -0.000000      0.000000 
1 1 1 -21 0  18 o 49.42436 30.38774 61.50328       170.6313 61.50328       170.6313 61.50328       170.6313 49.42436 30.38774 49.42436 30.38774 0.000000       0.000000 
1 1 1 -21 0  19 o 227.6567 15.04209 1548.172       198.7939 1548.172       198.7939 1548.172       198.7939 227.6567 15.04209 227.6567 15.04209 0.000000       0.000000 
1 1 1 -21 0  20 o 35.52000 24.33697 -103.3874      161.7669 -103.3874      161.7669 -103.3874      161.7669 35.52000 24.33697 35.52000 24.33697 0.000000       0.000000 
1 1 1 -21 0  21 o 56.09916 32.70218 116.4481       178.0984 116.4481       178.0984 116.4481       178.0984 56.09916 32.70218 56.09916 32.70218 -0.000000      0.000000 
1 1 1 -21 0  22 o 143.1601 23.36834 654.0432       180.5141 654.0432       180.5141 654.0432       180.5141 143.1601 23.36834 143.1601 23.36834 0.000000       0.000000 
1 1 1 -21 0  23 o 137.9839 25.75911 621.0145       187.1622 621.0145       187.1622 621.0145       187.1622 137.9839 25.75911 137.9839 25.75911 0.000000       0.000000 
1 1 1 -21 0  24 o 73.84407 35.20835 241.7152       174.3689 241.7152       174.3689 241.7152       174.3689 73.84407 35.20835 73.84407 35.20835 0.000000       0.000000 
1 1 1 -21 0  25 o 363.1678 13.33271 3903.206       283.1028 3903.206       283.1028 3903.206       283.1028 363.1678 13.33271 363.1678 13.33271 0.000000       0.000000 
1 1 1 -21 0  26 o 400.0233 13.68561 4736.696       320.2174 4736.696       320.2174 4736.696       320.2174 400.0233 13.68561 400.0233 13.68561 -0.000000      0.000000 
1 1 1 -21 0  27 o 467.9251 14.28285 6484.591       391.1328 6484.591       391.1328 6484.591       391.1328 467.9251 14.28285 467.9251 14.28285 0.000000       0.000000 
1 1 1 -21 0  28 o 70.50185 33.05072 221.0943       153.0699 221.0943       153.0699 221.0943       153.0699 70.50185 33.05072 70.50185 33.05072 0.000000       0.000000 
1 1 1 -21 0  29 o 303.1141 13.57276 2731.240       240.1776 2731.240       240.1776 2731.240       240.1776 303.1141 13.57276 303.1141 13.57276 0.000000       0.000000 
1 1 1 -21 0  30 o 169.7905 17.79755 884.3902       172.3520 884.3902       172.3520 884.3902       172.3520 169.7905 17.79755 169.7905 17.79755 0.000000       0.000000 
1 1 1 -21 0  31 o 167.0174 19.06989 863.4083       180.4997 863.4083       180.4997 863.4083       180.4997 167.0174 19.06989 167.0174 19.06989 -0.000000      0.000000 
1 1 1 -21 0  32 o 50.54926 29.98486 92.94849       154.2935 92.94849       154.2935 92.94849       154.2935 50.54926 29.98486 50.54926 29.98486 0.000000       0.000000 
1 1 1 -21 0  33 o 197.2355 15.39458 1179.100       175.5109 1179.100       175.5109 1179.100       175.5109 197.2355 15.39458 197.2355 15.39458 -0.000000      0.000000 
1 1 1 -21 0  34 o 62.90883 31.48158 184.2627       141.9432 184.2627       141.9432 184.2627       141.9432 62.90883 31.48158 62.90883 31.48158 0.000000       0.000000 
1 1 1 -21 0  35 o 126.7610 24.08522 539.3271       160.2668 539.3271       160.2668 539.3271       160.2668 126.7610 24.08522 126.7610 24.08522 0.000000       0.000000 
1 1 1 -21 0  36 o 200.3407 15.28264 1224.792       177.0998 1224.792       177.0998 1224.792       177.0998 200.3407 15.28264 200.3407 15.28264 -0.000000      0.000000 
1 1 1 -21 0  37 o 35.01257 23.76249 -59.24666      146.5921 -59.24666      146.5921 -59.24666      146.5921 35.01257 23.76249 35.01257 23.76249 -0.000000      0.000000 
1 1 1 -21 0  38 f 86.11569 32.45228 318.4135       153.3660 318.4135       153.3660 318.4135       153.3660 86.11569 32.45228 86.11569 32.45228 0.000000       0.000000 
1 1 1 -21 0  39 o 59.34988 32.08265 174.4301       155.7504 174.4301       155.7504 174.4301       155.7504 59.34988 32.08265 59.34988 32.08265 -0.000000      0.000000 
1 1 1 -21 0  40 o 30.68930 21.40746 -111.0816      139.9194 -111.0816      139.9194 -111.0816      139.9194 30.68930 21.40746 30.68930 21.40746 -0.000000      0.000000 
1 1 1 -21 0  41 o 29.77270 21.17705 -189.4510      159.7807 -189.4510      159.7807 -189.4510      159.7807 29.77270 21.17705 29.77270 21.17705 0.000000       0.000000 
1 1 1 -21 0  42 o 81.68620 35.19579 323.2748       173.1510 323.2748       173.1510 323.2748       173.1510 81.68620 35.19579 81.68620 35.19579 -0.000000      0.000000 
1 1 1 -21 0  43 f 196.8495 17.92778 1228.240       202.8214 1228.240       202.8214 1228.240       202.8214 196.8495 17.92778 196.8495 17.92778 0.000000       0.000000 
1 1 1 -21 0  44 o 38.21843 25.29028 -0.9495676     148.0866 -0.9495676     148.0866 -0.9495676     148.0866 38.21843 25.29028 38.21843 25.29028 0.000000       0.000000 
1 1 1 -21 0  45 o 43.17729 27.98502 38.44316       167.9107 38.44316       167.9107 38.44316       167.9107 43.17729 27.98502 43.17729 27.98502 -0.000000      0.000000 
1 1 1 -21 1  1  o 234.8721 19.21097 1644.856       262.3152 1841.401       360.2466 1423.035       382.7110 247.1967 25.20095 215.3407 31.21246 31.85600       40.11615 
1 1 1 -21 1  2  o 533.7559 12.77680 8392.506       399.9590 8989.354       708.5013 8113.342       484.5500 549.5202 22.02863 523.9422 15.78703 25.57800       27.10149 
1 1 1 -21 1  3  o 307.4002 12.73132 2788.389       229.0273 2953.537       393.5771 2703.835       281.6191 314.6162 21.45881 302.1550 15.94860 12.46121       26.73647 
1 1 1 -21 1  4  o 734.0715 13.11403 15879.86       564.5797 15979.15       801.8316 15782.22       795.0835 734.2895 18.63444 729.7651 18.59229 4.524353       26.32329 
1 1 1 -21 1  5  o 216.9346 13.72532 1393.115       173.7278 1278.003       239.7328 1520.420       252.1107 206.6105 20.03569 225.6859 19.23043 -19.07547      27.77118 
1 1 1 -21 1  6  o 46.99565 22.11865 -167.3469      156.8484 -140.8471      227.2753 -191.4456      216.7342 61.80880 28.21413 57.13503 26.59965 4.673767       38.77601 
1 1 1 -21 1  7  o 176.1983 15.76638 924.6259       161.2037 957.8939       222.0870 887.5790       234.3606 178.1724 21.70067 170.8552 24.05366 7.317215       32.39595 
1 1 1 -21 1  8  o 469.7360 10.45026 6493.382       287.8932 6339.033       403.2316 6653.868       411.1694 463.0464 14.86767 474.4359 14.79530 -11.38943      20.97495 
1 1 1 -21 1  9  o 495.4764 10.42260 7225.425       302.8654 7466.854       437.6131 7003.476       419.5881 502.5190 14.86500 486.7032 14.71661 15.81583       20.91762 
1 1 1 -21 1  10 o 356.6185 9.945609 3745.231       207.8076 3561.737       290.0631 3938.724       297.8607 346.9769 14.28470 364.9815 13.94090 -18.00464      19.96000 
1 1 1 -21 1  11 f 382.4941 9.777532 4307.999       219.1534 4221.549       305.4484 4399.714       314.6143 377.8546 13.80681 385.7275 13.93032 -7.872833      19.61331 
1 1 1 -21 1  12 o 422.4197 9.827630 5251.949       243.4689 5269.513       343.3655 5234.189       345.2765 422.1237 13.88859 420.6727 14.01454 1.451019       19.73069 
1 1 1 -21 1  13 o 68.94481 24.54638 124.1788       124.9355 280.1390       173.2907 -44.63045      180.2879 95.53009 28.65859 59.82721 26.37109 35.70288       38.94547 
1 1 1 -21 1  14 o 367.9124 9.506884 3987.103       204.9600 3983.245       288.1280 3991.055       291.6180 366.9233 13.41192 367.2465 13.56291 -0.3232117     19.07438 
1 1 1 -21 1  15 o 233.7091 11.42292 1614.833       156.0939 1665.320       203.6461 1542.922       243.0425 236.7091 14.74253 226.9476 18.41840 9.761490       23.59194 
1 1 1 -21 1  16 o 335.7611 11.92633 3332.061       234.4755 3248.847       329.9019 3417.010       333.3215 330.1681 17.09546 338.7086 16.83253 -8.540558      23.99143 
1 1 1 -21 1  17 o 413.3100 9.603650 5031.690       232.7891 4814.746       320.8838 5272.721       338.2276 403.1789 13.59004 421.9087 13.68721 -18.72980      19.28805 
1 1 1 -21 1  18 o 297.5793 9.837042 2612.167       171.4433 2436.612       237.7909 2802.212       247.4099 286.4695 14.19782 307.3702 13.75964 -20.90070      19.77134 
1 1 1 -21 1  19 o 190.5903 12.48760 1078.117       138.8134 1118.865       200.8238 1040.835       192.0910 192.9666 17.95114 186.0933 17.81790 6.873260       25.29271 
1 1 1 -21 1  20 o 150.0405 14.67167 673.5179       127.4556 698.8195       173.5457 643.8907       187.7954 151.6089 20.00591 144.6375 22.90058 6.971390       30.40844 
1 1 1 -21 1  21 o 281.9445 10.08691 2346.037       166.5220 2435.894       237.4952 2259.140       233.5499 286.4151 14.18278 275.7254 14.49373 10.68967       20.27855 
1 1 1 -21 1  22 o 277.6229 10.32183 2275.437       167.7667 2343.295       236.9134 2207.184       237.6039 280.8440 14.43222 272.4193 14.92893 8.424713       20.76443 
1 1 1 -21 1  23 o 211.8455 12.16477 1330.390       150.5026 1327.767       211.8810 1333.061       213.8177 210.4779 17.31771 210.8662 17.44563 -0.3883057     24.58156 
1 1 1 -21 1  24 o 264.8636 10.41728 2072.428       161.5026 2076.255       232.4622 2068.857       224.5421 264.0498 15.07384 263.7083 14.57525 0.3415527      20.96804 
1 1 1 -21 1  25 o 58.81599 22.96198 66.59086       114.4988 13.22524       161.0271 121.1648       162.8398 60.94706 25.87737 72.78813 27.65026 -11.84108      37.87050 
1 1 1 -21 1  26 o 169.8869 13.23589 860.7958       130.8353 832.5715       183.1614 890.2014       186.9552 165.5280 19.22460 171.3189 18.92215 -5.790924      26.97467 
1 1 1 -21 1  27 o 227.9851 10.52524 1539.326       140.3510 1725.244       202.9089 1368.779       194.3407 240.3672 14.46067 213.6718 15.61620 26.69540       21.28325 
1 1 1 -21 1  28 o 322.5411 9.422091 3074.454       178.0398 3044.220       253.0307 3104.101       250.5602 319.6401 13.52834 322.8737 13.26032 -3.233582      18.94339 
1 1 1 -21 1  29 o 176.5568 11.70310 928.6182       120.4974 1103.053       168.3649 745.4474       172.5296 191.5415 15.11011 155.9332 19.27575 35.60831       24.49224 
1 1 1 -21 1  30 o 36.59231 17.48156 -136.4223      105.3494 -204.1474      147.9715 -66.80624      150.0229 42.44844 20.39525 51.52262 23.28241 -9.074177      30.95217 
1 1 1 -21 1  31 o 261.8583 9.903660 2033.368       151.8201 1895.265       215.0242 2170.656       214.3892 251.1279 14.66342 269.2472 13.62117 -18.11931      20.01380 
1 1 1 -21 1  32 o 169.8479 12.56159 865.6135       124.2427 815.3860       178.3157 913.0043       173.2070 162.4364 19.08128 172.7363 17.33136 -10.29987      25.77734 
1 1 1 -21 1  33 o 371.4633 9.257694 4092.986       201.6830 3986.880       282.9904 4202.508       287.5089 364.2063 13.27091 374.0352 13.12689 -9.828979      18.66634 
1 1 1 -21 1  34 o 217.5955 10.31550 1415.030       131.2661 1407.462       186.7428 1422.422       184.5530 214.8334 14.91407 216.1233 14.64678 -1.289871      20.90353 
1 1 1 -21 1  35 o 200.6680 10.51161 1208.019       123.2767 1327.925       178.1872 1097.938       170.7308 208.2327 14.68491 188.7627 15.56023 19.47002       21.39549 
1 1 1 -21 1  36 o 254.2905 9.560673 1934.347       142.3295 1951.132       204.0302 1918.436       198.6464 252.7055 13.81928 250.7622 13.55771 1.943268       19.35933 
1 1 1 -21 1  37 o 91.65157 19.97685 276.6417       104.3402 319.9715       146.7698 232.3669       148.3616 95.90141 25.61204 82.23212 26.80030 13.66929       37.07064 
1 1 1 -21 1  38 o 130.7468 14.87148 534.3078       112.0102 426.5422       151.7309 663.3705       166.0482 111.3796 23.94115 142.1817 20.50504 -30.80210      31.52199 
1 1 1 -21 1  39 o 132.6201 14.57030 551.1440       111.4614 610.2908       152.8034 483.8852       162.9454 136.2257 19.69711 117.7219 24.40326 18.50381       31.36072 
1 1 1 -21 1  40 o 81.04908 22.09214 228.1350       107.8650 274.8183       149.6850 177.7065       155.5737 86.52330 26.77248 72.84869 27.16465 13.67461       38.14032 
1 1 1 -21 1  41 o 78.94085 23.71956 222.7008       118.6378 214.2076       169.5983 230.8391       166.0172 77.06265 28.43198 79.14169 28.28271 -2.079041      40.10348 
1 1 1 -21 1  42 o 61.96027 23.95424 116.2938       123.6693 271.9604       179.0301 -25.77704      171.0334 83.41396 29.41385 53.88148 24.54930 29.53247       38.31244 
1 1 1 -21 1  43 o 40.33118 19.22491 -118.5635      125.9320 -210.4785      178.8627 -28.21017      177.3367 44.76601 21.72997 54.22115 24.81559 -9.455139      32.98492 
1 1 1 -21 1  44 o 59.82511 22.89976 112.0765       112.2364 -3.935153      350.9050 125.2973       118.4592 69.32136 32.76524 62.10000 23.58484 7.221355       40.37085 
1 1 1 -21 1  45 o 76.22743 22.52988 212.5251       107.7254 272.7631       149.0362 146.6209       155.8882 83.18371 26.84187 66.50684 26.53251 16.67686       37.74202 
1 1 1 -21 2  1  o 224.7975 15.95205 1499.817       208.9431 1383.955       327.1266 1579.656       271.5531 213.5536 26.70101 229.8912 20.35105 -16.33763      33.57244 
1 1 1 -21 2  2  o 835.2602 20.62228 20704.86       1010.204 0.000000       0.000000 20704.86       1010.204 ?        ?        835.2602 20.62228 0.000000       20.62228 
1 1 1 -21 2  3  o 630.9953 16.63036 11775.98       614.8930 12359.82       888.7427 11239.89       851.6246 643.7019 23.58171 613.7535 23.70396 29.94836       33.43613 
1 1 1 -21 2  4  o 724.7803 12.94374 15479.24       550.1948 15756.48       786.7413 15213.87       769.7237 729.2057 18.41106 716.5642 18.33099 12.64148       25.98062 
1 1 1 -21 2  5  o 434.2274 12.01603 5557.123       305.7110 5833.900       509.3470 5401.272       382.2111 443.0689 19.65051 427.4261 15.27180 15.64273       24.88715 
1 1 1 -21 2  6  o 117.1435 24.16312 424.0771       160.4922 551.1165       219.8354 279.0939       234.8481 132.9314 29.01454 99.15533 33.75433 33.77606       44.51066 
1 1 1 -21 2  7  o 305.2473 10.72188 2745.572       191.6455 2822.115       272.0431 2670.161       270.0235 308.7563 15.06902 300.2483 15.38584 8.508087       21.53600 
1 1 1 -21 2  8  o 366.1609 10.21900 3948.110       219.2331 3927.565       307.8372 3969.255       312.2957 364.4480 14.43093 366.3519 14.56409 -1.903900      20.50279 
1 1 1 -21 2  9  f 281.6378 10.90393 2338.868       179.7642 2404.184       250.9131 2269.986       257.6716 284.8409 15.07368 276.5800 15.95299 8.260956       21.94798 
1 1 1 -21 2  10 o 539.4343 10.65875 8567.450       337.2060 8895.267       486.1352 8263.458       468.1365 548.3336 15.13133 528.4903 15.11930 19.84326       21.39042 
1 1 1 -21 2  11 o 360.6004 9.898221 3829.750       209.1332 3656.916       287.8058 4023.101       304.4101 351.5960 13.98532 368.7793 14.10077 -17.18329      19.86003 
1 1 1 -21 2  12 o 320.0552 9.914942 3018.102       185.8838 3106.453       265.0767 2932.620       260.7358 323.9574 13.98483 314.7079 14.16305 9.249481       19.90396 
1 1 1 -21 2  13 o 327.4693 9.729520 3159.402       186.6512 3044.502       256.9413 3287.784       271.5973 320.7135 13.69199 333.2502 13.92717 -12.53665      19.53040 
1 1 1 -21 2  14 f 242.0016 10.69778 1729.063       151.4565 1819.545       211.2721 1633.401       217.2361 247.5508 14.61722 234.2271 15.90850 13.32372       21.60425 
1 1 1 -21 2  15 o 501.9804 14.39899 7464.438       423.4678 7464.438       423.4678 0.000000       0.000000 501.9804 14.39899 ?        ?        0.000000       14.39899 
1 1 1 -21 2  16 o 356.6614 9.446519 3748.524       197.4222 3613.367       272.6131 3897.574       286.2824 349.3196 13.33125 362.7773 13.47907 -13.45761      18.95805 
1 1 1 -21 2  17 o 362.3332 9.617625 3869.818       204.1937 3803.311       280.7560 3944.505       297.5194 358.3361 13.38295 364.7841 13.93247 -6.447968      19.31882 
1 1 1 -21 2  18 o 277.2474 10.01505 2268.297       162.5761 2281.788       227.0185 2254.094       232.9302 277.2413 14.00755 275.4366 14.47037 1.804657       20.13959 
1 1 1 -21 2  19 o 171.2557 13.28520 872.8174       132.3903 777.3860       180.0730 985.0823       195.3101 160.1459 19.57936 180.7719 18.69158 -20.62596      27.06892 
1 1 1 -21 2  20 o 180.4985 12.69638 967.8432       133.5442 981.8796       184.6223 952.4398       193.4035 180.7413 17.64143 177.6802 18.84695 3.061050       25.81526 
1 1 1 -21 2  21 o 252.8325 10.46923 1888.114       154.9022 1699.888       210.0406 2112.563       229.3620 238.9366 15.06561 266.5489 14.72943 -27.61226      21.06962 
1 1 1 -21 2  22 f 88.59554 23.97490 244.8254       127.5778 317.6778       178.6997 169.0945       182.1957 100.6533 28.80975 80.98409 29.53613 19.66924       41.25997 
1 1 1 -21 2  23 o 322.6124 10.23217 3071.678       193.3526 3205.506       278.6655 2947.434       268.5014 328.5218 14.49905 314.9729 14.57477 13.54889       20.55837 
1 1 1 -21 2  24 o 229.3125 10.84994 1555.293       145.5031 1516.890       203.3129 1595.612       208.3235 225.4605 15.46978 231.2680 15.44791 -5.807556      21.86211 
1 1 1 -21 2  25 o 331.6652 9.532242 3245.671       185.2229 3203.803       262.5419 3287.160       261.3516 328.4536 13.65913 332.7787 13.41871 -4.325134      19.14768 
1 1 1 -21 2  26 o 128.1629 16.84451 498.3272       123.5491 690.0197       171.2753 290.3751       178.3914 150.2905 19.92198 96.24619 29.12256 54.04429       35.28469 
1 1 1 -21 2  27 o 210.9286 10.87537 1319.077       134.0791 1266.305       192.3479 1368.954       186.9983 205.3157 16.10280 213.8491 15.00531 -8.533356      22.01044 
1 1 1 -21 2  28 o 190.5864 11.32553 1079.575       126.0197 960.5202       178.9818 1196.621       177.4653 178.1006 17.35525 199.6288 15.27392 -21.52814      23.11920 
1 1 1 -21 2  29 o 173.4626 12.14138 897.6120       122.7364 758.3272       167.5603 1058.861       180.2887 157.5516 18.48536 187.1566 16.59719 -29.60501      24.84301 
1 1 1 -21 2  30 o 124.0901 15.48751 468.0359       110.2648 460.1254       152.8767 476.6135       159.1907 120.8330 22.39729 122.8384 22.94040 -2.005478      32.06089 
1 1 1 -21 2  31 o 94.50237 20.90203 283.2208       112.7701 259.8004       164.0004 304.2264       155.3157 90.18144 28.04311 96.81216 26.55897 -6.630714      38.62376 
1 1 1 -21 2  32 o 131.4976 15.28937 527.0510       115.7158 644.8940       162.1674 404.8073       165.1676 143.9595 19.72578 111.3164 25.80373 32.64309       32.47982 
1 1 1 -21 2  33 o 73.93845 22.25797 174.0728       104.3959 204.8820       140.5202 136.1209       155.9604 80.25634 26.07719 71.79835 27.10864 8.457993       37.61513 
1 1 1 -21 2  34 o 154.5621 12.42336 722.2263       111.6663 568.3267       155.0933 887.8801       160.9070 133.5620 20.44964 169.6898 16.37149 -36.12778      26.19568 
1 1 1 -21 2  35 o 79.08958 21.11309 205.5882       99.76261 319.2454       144.3362 101.6226       138.0453 96.99352 25.16168 64.45840 25.19880 32.53512       35.61024 
1 1 1 -21 2  36 o 31.46148 15.37279 -163.5545      93.70650 -192.0071      136.3791 -138.1082      128.9729 39.66385 19.18686 41.08557 19.54815 -1.421722      27.39098 
1 1 1 -21 2  37 o 178.9771 11.70419 971.8362       122.1800 830.4360       170.4210 1121.377       175.2578 161.5354 18.31155 189.7076 15.89832 -28.17221      24.25015 
1 1 1 -21 2  38 o 105.8546 19.19763 366.8354       114.7937 252.8035       162.1476 481.4180       162.5386 84.35781 28.04351 118.2576 24.25030 -33.89978      37.07446 
1 1 1 -21 2  39 o 79.32558 21.77174 215.8867       104.3436 160.2052       137.1669 292.3626       160.7518 70.18671 25.62313 89.22881 27.76670 -19.04210      37.78272 
1 1 1 -21 2  40 o 218.7813 10.53692 1452.843       134.8018 1440.635       189.8188 1465.264       191.4691 213.9780 15.22530 215.8058 15.22586 -1.827850      21.53222 
1 1 1 -21 2  41 o 101.5536 21.12666 354.4874       121.7247 502.8366       172.0495 205.8092       172.2402 117.6040 25.66732 76.05897 28.53761 41.54500       38.38237 
1 1 1 -21 2  42 o 42.83753 19.84838 -61.64601      118.4820 -149.5440      158.5938 49.37722       178.2393 44.59597 21.34413 60.30387 26.41236 -15.70790      33.95858 
1 1 1 -21 2  43 o 117.1898 17.04711 451.4864       113.7305 526.4202       340.6173 442.0840       120.6549 100.3642 39.47883 114.8573 18.54308 -14.49311      43.61678 
1 1 1 -21 2  44 o 44.46662 20.44839 -44.35291      122.3749 125.7849       372.2879 -64.96333      129.5752 75.42039 35.02730 44.22891 20.58302 31.19149       40.62724 
1 1 1 -21 2  45 o 50.92945 22.10928 30.23047       122.5433 304.8430       393.9803 0.8173959      128.9391 83.14121 37.63468 49.12590 21.94021 34.01532       43.56308 
1 1 1 -21 3  1  o 440.0984 12.15434 5708.036       313.4121 5488.938       512.8555 5838.632       395.9502 429.6147 20.41312 444.4854 15.21153 -14.87067      25.45754 
1 1 1 -21 3  2  o 411.8405 14.54645 5010.198       350.7956 5111.726       473.3186 4886.464       522.5226 414.7986 19.51123 404.7926 22.09386 10.00598       29.47587 
1 1 1 -21 3  3  o 533.6762 12.52548 8389.992       392.0331 7841.751       628.9734 8738.290       501.3273 513.4413 20.93160 543.7014 15.73866 -30.26007      26.18849 
1 1 1 -21 3  4  o 553.0806 12.60859 9012.470       408.9832 8662.268       670.3414 9220.124       516.1874 539.5073 21.22739 558.4567 15.77622 -18.94934      26.44790 
1 1 1 -21 3  5  o 247.1141 13.70724 1806.330       197.8760 1787.811       297.8085 1820.968       264.7733 244.4255 20.97764 247.2664 18.38989 -2.840958      27.89712 
1 1 1 -21 3  6  o 139.1350 20.63238 587.1251       163.2658 579.6114       216.9808 596.9308       247.8770 136.5662 28.03114 137.9686 31.34904 -1.402390      42.05362 
1 1 1 -21 3  7  o 550.3127 10.97723 8915.042       354.2852 9027.513       502.4670 8803.844       499.6150 552.4932 15.52247 545.5681 15.63090 6.925110       22.02889 
1 1 1 -21 3  8  o 327.9284 10.43742 3168.044       200.4791 3152.358       277.4049 3185.194       290.0588 326.4088 14.52751 327.9865 15.11992 -1.577698      20.96808 
1 1 1 -21 3  9  o 144.5965 17.93415 629.0775       148.8279 615.5024       204.1370 644.4798       217.4414 141.2461 25.58481 144.3412 26.66843 -3.095108      36.95656 
1 1 1 -21 3  10 o 357.2855 10.08289 3759.942       211.0652 3915.232       300.4302 3608.597       296.5894 363.8300 14.10647 349.1815 14.51449 14.64847       20.24013 
1 1 1 -21 3  11 o 507.1161 10.41616 7571.819       309.7887 7673.394       439.4671 7471.491       436.7602 509.2676 14.72944 502.4847 14.83698 6.782867       20.90676 
1 1 1 -21 3  12 o 398.7717 9.686049 4680.223       226.5278 4720.456       318.7554 4639.170       321.9864 399.5385 13.62336 396.0153 13.88505 3.523193       19.45226 
1 1 1 -21 3  13 o 251.6008 10.81991 1868.592       159.2831 2015.384       223.4447 1716.930       227.1210 260.6099 14.67870 240.1505 16.22105 20.45943       21.87662 
1 1 1 -21 3  14 o 88.13778 24.89744 240.3273       134.3403 348.8715       170.2068 60.98829       218.7817 105.4315 27.31022 74.65197 30.81528 30.77953       41.17559 
1 1 1 -21 3  15 o 99.07814 23.00986 306.1969       131.1356 376.3145       162.3420 174.5385       222.4548 109.5305 25.71506 85.88966 32.38760 23.64080       41.35482 
1 1 1 -21 3  16 o 108.4994 21.42467 364.3716       131.4905 183.1792       187.8545 538.4188       184.1133 83.35104 30.04887 131.6135 24.76105 -48.26242      38.93641 
1 1 1 -21 3  17 o 369.9121 9.393162 4032.453       203.6148 4238.570       291.2169 3835.318       284.8001 378.3664 13.14357 359.7945 13.52099 18.57190       18.85658 
1 1 1 -21 3  18 o 249.1113 10.27052 1832.464       149.7283 1866.457       208.7314 1796.433       214.8988 250.6146 14.26025 245.6832 14.98575 4.931396       20.68641 
1 1 1 -21 3  19 o 372.0861 9.425109 4080.815       205.5089 4096.035       293.5183 4066.179       287.8319 371.7824 13.48391 370.4846 13.26845 1.297791       18.91739 
1 1 1 -21 3  20 o 363.0784 9.488461 3885.992       201.8712 3830.573       286.8802 3940.349       284.1178 359.4778 13.63219 364.6918 13.30609 -5.213928      19.04964 
1 1 1 -21 3  21 f 81.33138 24.49827 202.1813       126.4410 55.67012       176.1698 357.8330       181.5822 67.71245 27.76967 106.4328 28.51642 -38.72032      39.80378 
1 1 1 -21 3  22 o 133.3725 17.30988 537.9650       132.2066 607.5811       178.0085 452.3263       197.4334 140.5759 22.33777 119.4664 28.56582 21.10943       36.26268 
1 1 1 -21 3  23 o 135.2473 17.57008 553.6875       136.0739 667.8668       183.8707 415.4383       202.3253 147.5997 21.90457 114.2956 29.86042 33.30402       37.03315 
1 1 1 -21 3  24 o 52.91307 22.29620 13.28048       118.0510 40.31734       161.3316 -17.87995      173.1980 63.71537 26.39643 60.40141 26.25234 3.313965       37.22844 
1 1 1 -21 3  25 o 169.7135 12.83849 857.6706       126.8375 987.9964       173.5385 708.2072       185.8438 181.3696 16.49502 151.9571 21.44921 29.41257       27.05835 
1 1 1 -21 3  26 o 351.2655 9.511703 3642.022       195.7692 3619.798       277.2532 3664.121       276.4674 349.0123 13.57106 351.1874 13.44800 -2.175110      19.10556 
1 1 1 -21 3  27 o 165.9699 12.69904 821.8002       122.6705 1012.940       175.2827 638.3175       171.7361 183.3661 16.47476 143.9067 20.96414 39.45943       26.66295 
1 1 1 -21 3  28 o 573.8334 10.95352 9748.015       368.6295 9641.521       521.8076 9854.110       520.8355 567.6738 15.68836 574.0497 15.48451 -6.375916      22.04302 
1 1 1 -21 3  29 o 207.8750 10.87000 1283.388       132.0598 1454.466       187.3893 1114.585       186.1386 220.2491 14.58931 192.0022 16.69611 28.24698       22.17223 
1 1 1 -21 3  30 o 41.95822 19.10478 -58.66029      103.3754 -114.9326      143.6040 1.864601       148.9314 46.75975 21.72950 57.10847 24.58108 -10.34872      32.80855 
1 1 1 -21 3  31 o 334.4681 9.568954 3313.893       187.5094 3173.804       269.3489 3445.629       261.1958 325.3715 14.14896 339.5483 13.14119 -14.17676      19.31021 
1 1 1 -21 3  32 o 193.9608 11.60644 1124.296       131.4233 1318.062       190.1320 947.0143       181.8647 208.5146 15.66224 175.6526 17.90405 32.86197       23.78783 
1 1 1 -21 3  33 o 177.2866 11.50636 942.2763       118.9904 928.0308       170.7486 955.7262       165.9114 173.7375 16.97392 176.6941 16.19023 -2.956573      23.45714 
1 1 1 -21 3  34 o 115.3704 16.50299 414.7055       108.4855 422.8326       150.2852 405.8626       156.7629 113.4256 23.36989 110.3736 24.82127 3.051941       34.09174 
1 1 1 -21 3  35 o 189.9617 10.63805 1083.812       118.0429 1159.813       167.1930 1008.272       166.6840 194.4378 14.77234 180.5904 15.90017 13.84738       21.70339 
1 1 1 -21 3  36 o 149.9230 12.53285 684.8923       109.1893 799.7170       151.5049 560.7946       157.5038 160.0420 16.37188 131.0777 21.21288 28.96437       26.79598 
1 1 1 -21 3  37 o 94.93380 19.39701 294.9255       104.3435 361.6236       146.4385 226.1369       148.7157 102.4771 24.66473 81.23446 26.85174 21.24264       36.46046 
1 1 1 -21 3  38 o 118.0422 16.58200 443.3741       111.6347 326.0714       155.5799 567.8643       160.2755 95.38877 26.74003 130.4854 21.70599 -35.09663      34.44095 
1 1 1 -21 3  39 o 170.7234 12.05816 892.9864       119.9559 948.2667       165.2976 831.4850       174.3507 172.8038 16.51085 159.8235 18.97044 12.98030       25.14927 
1 1 1 -21 3  40 o 113.3974 17.91264 420.1027       115.1766 508.8824       161.1387 327.3690       164.6878 120.7999 23.59148 93.40461 27.91891 27.39526       36.55165 
1 1 1 -21 3  41 o 100.0247 20.31922 340.7353       115.1254 272.2643       160.6057 413.1022       165.1116 84.79697 27.89892 105.2930 26.70305 -20.49598      38.61868 
1 1 1 -21 3  42 o 45.54589 20.31810 -10.66162      110.2469 -42.20497      321.5434 -6.459436      117.3609 67.52254 31.74524 47.21333 21.01892 20.30922       38.07302 
1 1 1 -21 3  43 o 67.46372 23.53832 159.0985       114.4490 79.47266       343.9743 169.0110       121.3638 73.40538 33.94416 69.11105 24.23006 4.294327       41.70494 
1 1 1 -21 3  44 o 57.13414 22.98418 88.82166       117.9939 51.11306       400.8782 92.39843       123.4632 73.57127 34.84721 58.09766 23.46164 15.47361       42.00924 
1 1 1 -21 3  45 o 60.75588 24.59710 107.3557       136.0877 -9.551922      398.9150 122.7534       144.7725 70.90520 33.91314 63.14179 25.43867 7.763405       42.39371 
1 1 1 -21 4  1  o 223.6581 15.60995 1484.427       203.4707 967.3641       315.3622 1853.168       266.3172 176.5952 31.61026 249.5039 18.32790 -72.90871      36.53930 
1 1 1 -21 4  2  o 241.7679 14.35450 1730.451       202.6180 1329.471       289.8470 2113.666       283.3536 209.8529 23.98071 266.5620 18.23490 -56.70915      30.12617 
1 1 1 -21 4  3  o 215.9313 15.22390 1383.439       191.5576 1191.686       276.2010 1561.156       265.8992 198.4615 24.23196 228.5177 20.04297 -30.05614      31.44692 
1 1 1 -21 4  4  o 167.7681 18.62126 843.9498       180.1360 753.6120       253.2030 936.5306       256.3272 156.0660 28.72171 175.2143 25.70878 -19.14825      38.54709 
1 1 1 -21 4  5  o 510.8028 12.17810 7686.460       364.8239 7566.784       590.2410 7760.447       464.0905 504.4712 19.98956 512.3076 15.46389 -7.836395      25.27280 
1 1 1 -21 4  6  o 363.4939 10.36900 3890.932       220.8211 4067.034       312.0072 3714.194       312.5700 370.9216 14.36992 354.2967 15.07731 16.62491       20.82834 
1 1 1 -21 4  7  o 317.4558 10.71050 2969.723       199.1229 3083.669       272.9586 2840.107       291.1230 322.8550 14.45244 309.4849 16.09464 13.37009       21.63124 
1 1 1 -21 4  8  o 412.4410 10.15648 5005.742       245.6719 4715.541       331.8315 5357.750       365.4634 399.3954 14.18909 425.6422 14.66215 -26.24680      20.40365 
1 1 1 -21 4  9  o 281.6234 10.94681 2339.059       180.4592 2334.695       247.2885 2344.030       263.9404 280.6446 15.07976 280.9998 16.08300 -0.3552551     22.04681 
1 1 1 -21 4  10 o 135.3501 19.21979 554.8425       148.2816 770.6055       198.2931 281.1367       223.3372 159.3330 21.79062 98.33427 32.91726 60.99876       39.47629 
1 1 1 -21 4  11 o 143.6605 16.93365 619.9755       139.9340 643.2900       188.6394 591.4481       208.6656 145.0010 22.94528 137.9572 26.75599 7.043716       35.24725 
1 1 1 -21 4  12 o 175.4020 13.99804 914.8513       142.8027 814.3776       191.6214 1040.351       214.1602 164.1119 20.34454 185.8709 19.95838 -21.75903      28.49978 
1 1 1 -21 4  13 o 223.8680 11.37479 1481.294       148.8540 1481.364       198.3368 1481.205       225.2435 223.1767 15.24472 222.6980 17.38351 0.4787140      23.12116 
1 1 1 -21 4  14 o 145.4397 15.48347 633.6657       130.0414 561.2027       171.4055 731.9412       199.6131 135.1776 22.40479 154.7260 22.66992 -19.54842      31.87318 
1 1 1 -21 4  15 o 497.8093 11.50891 7311.456       336.0066 7850.873       430.9656 6475.268       536.5775 514.8048 14.28794 465.3520 19.70536 49.45282       24.34023 
1 1 1 -21 4  16 o 115.8173 18.61321 409.3888       122.1459 353.4464       158.4279 491.3788       191.7968 106.0688 25.73365 125.0528 26.94711 -18.98402      37.26080 
1 1 1 -21 4  17 o 236.3910 10.40058 1650.544       143.8383 1517.106       191.9831 1821.299       217.1746 225.8166 14.57411 247.3954 15.03915 -21.57883      20.94232 
1 1 1 -21 4  18 o 313.5124 9.451488 2897.832       173.5838 2866.945       240.1665 2931.615       251.1723 311.0423 13.19563 314.4217 13.65354 -3.379364      18.98799 
1 1 1 -21 4  19 o 177.7294 12.39985 937.9594       128.4380 902.1267       172.9282 982.0462       191.8139 173.2720 17.24589 180.5725 18.36786 -7.300507      25.19522 
1 1 1 -21 4  20 o 140.5998 15.74184 594.0157       127.5791 561.0144       172.4655 633.8988       189.5968 134.8908 22.59931 143.3602 23.35342 -8.469345      32.49786 
1 1 1 -21 4  21 o 148.6281 15.01005 661.5784       129.0470 690.1982       171.6247 624.3488       195.7450 150.6904 19.90615 141.9623 24.38937 8.728058       31.48168 
1 1 1 -21 4  22 f 277.5002 10.52090 2274.041       170.9147 2290.395       237.4781 2256.467       246.1762 277.5936 14.63866 275.3525 15.30447 2.241089       21.17823 
1 1 1 -21 4  23 o 117.8383 19.65841 425.9141       131.0748 507.2175       172.2754 314.1510       201.9847 127.7140 23.87800 100.6684 31.09142 27.04556       39.20249 
1 1 1 -21 4  24 o 157.6754 14.19798 742.9756       129.8881 590.5066       171.8990 945.8643       198.2949 138.5182 21.88616 176.7465 19.45095 -38.22836      29.28043 
1 1 1 -21 4  25 o 158.8741 13.92006 754.3854       128.3924 642.2382       176.1267 881.5665       187.5608 144.5647 21.42083 170.5213 19.08162 -25.95667      28.68728 
1 1 1 -21 4  26 o 201.1167 11.63329 1200.539       136.6292 1244.296       190.4713 1154.159       196.0974 203.6658 16.07662 195.7675 17.25617 7.898224       23.58460 
1 1 1 -21 4  27 o 406.2496 9.590716 4872.458       228.5043 5405.447       342.7255 4445.928       306.5929 426.1743 13.73017 386.5386 13.54536 39.63568       19.28715 
1 1 1 -21 4  28 o 251.5431 9.807687 1872.576       144.4097 2005.825       203.9351 1738.563       204.5186 259.3212 13.45523 241.0342 14.53538 18.28697       19.80708 
1 1 1 -21 4  29 o 329.4862 9.117725 3208.800       176.0178 3239.587       254.4774 3180.560       243.7242 329.6477 13.18943 326.8051 12.74067 2.842651       18.33810 
1 1 1 -21 4  30 o 212.7270 10.50578 1343.776       130.6639 1320.482       182.9366 1368.037       186.6940 209.5240 14.98627 213.2683 15.02246 -3.744278      21.21940 
1 1 1 -21 4  31 o 328.0318 9.538544 3187.963       183.3104 3155.105       260.5260 3220.180       257.9728 324.5718 13.71735 328.0455 13.43723 -3.473694      19.20220 
1 1 1 -21 4  32 o 161.5698 12.56884 784.2584       118.1621 692.1051       165.5234 880.0232       168.7358 149.2720 19.36319 169.5034 17.21219 -20.23141      25.90738 
1 1 1 -21 4  33 o 66.49409 22.21193 134.2232       101.6994 189.8213       138.6320 69.43799       149.6482 77.73375 25.93268 63.10555 25.70294 14.62820       36.51226 
1 1 1 -21 4  34 o 248.0755 9.542576 1834.749       138.5764 1770.376       196.2451 1898.771       195.7094 241.4589 13.91710 250.4116 13.37473 -8.952698      19.30205 
1 1 1 -21 4  35 o 133.8524 13.66770 549.0231       105.7890 752.0327       150.3127 349.7753       148.9135 155.2864 16.77057 101.4482 25.15388 53.83814       30.23193 
1 1 1 -21 4  36 o 102.5068 17.72514 335.9097       102.7054 366.1783       145.5758 305.9127       144.9210 103.7105 24.35255 94.12787 25.58661 9.582664       35.32310 
1 1 1 -21 4  37 o 183.2777 11.43887 1017.982       122.3411 865.1961       166.6782 1196.440       180.1375 165.3971 17.44556 195.9509 15.80905 -30.55386      23.54301 
1 1 1 -21 4  38 o 83.79582 21.73753 238.8614       107.7265 121.1146       150.3850 362.9641       154.3905 66.58289 26.21948 101.0852 25.92123 -34.50230      36.86966 
1 1 1 -21 4  39 o 106.2957 17.48763 366.4277       105.2299 350.0990       143.1272 385.6385       155.2455 99.41591 24.66639 103.7582 25.65761 -4.342316      35.59135 
1 1 1 -21 4  40 o 123.0648 16.32557 485.8102       114.9254 650.3643       167.9458 340.8964       157.6049 138.7849 21.31404 95.92459 26.92183 42.86026       34.33763 
1 1 1 -21 4  41 o 144.8596 13.15391 654.4847       110.5341 1259.614       370.8937 595.5005       115.7960 169.4844 38.22751 137.1821 14.61770 32.30231       40.92701 
1 1 1 -21 4  42 o 100.9657 20.16116 349.4522       115.2000 203.9425       356.1056 366.4600       121.7465 80.54406 36.17922 102.9246 20.88384 -22.38052      41.77405 
1 1 1 -21 4  43 o 68.24946 24.28905 163.5006       122.3182 609.4494       380.2278 112.0223       129.1854 103.9628 41.45005 61.44408 24.26863 42.51876       48.03200 
1 1 1 -21 4  44 o 154.3952 14.39251 760.8344       128.8217 1217.328       436.1562 717.2059       134.8372 142.5796 45.91052 148.7593 15.69135 -6.179642      48.51797 
1 1 1 -21 4  45 o 77.41296 26.15992 231.6852       141.0377 428.5590       427.9995 207.7028       149.3812 88.61458 39.74514 73.80849 26.77014 14.80608       47.91990 
1 1 1 -21 5  1  o 301.7366 25.70954 2741.861       450.6304 0.000000       0.000000 2741.861       450.6304 ?        ?        301.7366 25.70954 0.000000       25.70954 
1 1 1 -21 5  2  o 309.5812 14.48751 2834.504       262.3086 2866.838       343.6451 2789.365       406.0319 310.4112 18.96708 305.1799 22.85171 5.231232       29.69766 
1 1 1 -21 5  3  o 509.1442 12.14709 7636.209       362.7134 6941.766       563.0340 8128.868       474.2302 483.2013 19.91074 524.3583 15.43774 -41.15701      25.19447 
1 1 1 -21 5  4  o 383.5191 11.58885 4335.229       260.3630 3905.245       384.3989 4699.701       353.9061 362.6283 18.13218 398.6176 15.16610 -35.98938      23.63867 
1 1 1 -21 5  5  o 241.9610 13.29753 1731.610       187.9724 1396.535       265.9465 2066.114       265.7198 215.6652 21.30433 263.6319 17.28130 -47.96669      27.43206 
1 1 1 -21 5  6  o 442.7556 10.25695 5768.334       266.3378 5677.633       368.1659 5867.917       385.7675 438.3095 14.34159 445.4933 14.78550 -7.183777      20.59835 
1 1 1 -21 5  7  o 329.8870 10.29260 3205.697       198.8883 3127.785       269.5835 3298.755       294.6224 325.1887 14.16939 333.7846 15.08945 -8.595917      20.69935 
1 1 1 -21 5  8  o 800.3187 13.83616 18907.98       649.4250 18428.79       898.2240 19432.85       940.0547 787.5610 19.44688 808.5237 19.82485 -20.96271      27.77059 
1 1 1 -21 5  9  o 195.3524 13.50215 1131.702       153.7418 1258.939       205.3322 969.3546       231.9384 205.4101 17.20237 178.8312 22.61977 26.57892       28.41787 
1 1 1 -21 5  10 o 778.1755 13.55146 17879.46       618.4636 17666.63       863.3088 18103.85       886.4287 770.9382 19.09396 780.2662 19.37093 -9.327942      27.19949 
1 1 1 -21 5  11 o 99.81607 23.66230 310.1737       136.3956 343.5572       175.9730 259.9374       215.8685 104.8187 28.06745 95.20244 32.36240 9.616257       42.83814 
1 1 1 -21 5  12 o 365.6898 9.763061 3939.414       209.1995 3964.800       292.9734 3913.004       298.8187 366.0680 13.67035 363.5771 14.04035 2.490936       19.59617 
1 1 1 -21 5  13 o 187.8624 12.55381 1046.415       137.5201 872.7204       179.9408 1290.337       213.2368 170.3660 18.29558 207.6674 17.67610 -37.30138      25.43959 
1 1 1 -21 5  14 o 261.1151 11.49730 2015.053       175.6354 2220.281       218.4369 1639.711       295.4070 273.6873 13.65193 233.0153 21.87223 40.67192       25.78313 
1 1 1 -21 5  15 o 81.68981 24.27193 204.2157       124.7627 174.7767       168.3808 240.0538       185.7820 80.46786 28.51181 90.38661 30.01691 -9.918755      41.39973 
1 1 1 -21 5  16 o 300.8075 11.14652 2672.905       196.3028 2438.218       227.0022 3368.828       390.8998 286.7755 13.53520 335.1652 19.97704 -48.38971      24.13055 
1 1 1 -21 5  17 o 325.7380 10.30557 3131.033       196.6275 2845.847       293.5325 3363.163       264.8246 309.0799 16.25038 336.8812 13.43082 -27.80136      21.08226 
1 1 1 -21 5  18 o 53.31431 22.22058 21.15216       115.3059 -115.9737      148.6368 228.3884       182.7257 48.25264 22.31314 88.51240 29.77596 -40.25976      37.20865 
1 1 1 -21 5  19 o 381.4623 9.567554 4289.557       213.8751 4347.518       302.2566 4231.437       302.6739 383.0464 13.47569 377.8315 13.68182 5.214905       19.20382 
1 1 1 -21 5  20 o 267.9076 10.27929 2119.065       161.2102 2113.437       218.9663 2125.725       238.2199 266.7704 14.04500 267.2446 15.26259 -0.4742432     20.74147 
1 1 1 -21 5  21 o 277.9657 10.36514 2281.144       168.6768 2266.641       235.5726 2296.403       241.6329 276.1635 14.59665 277.9034 14.87983 -1.739838      20.84398 
1 1 1 -21 5  22 o 343.0142 9.843768 3470.149       197.8220 3621.991       278.0683 3314.549       281.4882 349.5424 13.59031 334.1322 14.39832 15.41016       19.79919 
1 1 1 -21 5  23 o 267.1934 10.31512 2108.423       161.3370 2233.072       220.7198 1965.411       236.4182 274.2427 13.76724 256.7311 15.77810 17.51157       20.94004 
1 1 1 -21 5  24 o 257.0006 10.40585 1951.848       156.5176 2027.716       220.1514 1874.306       222.5671 261.0381 14.43649 250.7365 15.20686 10.30159       20.96809 
1 1 1 -21 5  25 o 249.1676 10.48868 1836.107       152.9292 1852.878       215.1448 1818.980       217.4223 249.2713 14.78301 246.8875 15.08806 2.383881       21.12313 
1 1 1 -21 5  26 o 262.9422 10.16410 2044.488       156.4447 2021.485       221.5774 2067.353       220.9166 260.3135 14.57187 263.3233 14.35936 -3.009857      20.45802 
1 1 1 -21 5  27 o 204.2961 11.86404 1240.905       141.5373 1361.428       180.9503 1050.947       227.1716 213.3004 14.55211 185.0742 21.31847 28.22615       25.81164 
1 1 1 -21 5  28 o 248.7041 10.42754 1833.038       151.7578 1793.182       223.0101 1867.413       207.1069 244.3840 15.64182 249.9220 14.18820 -5.537994      21.11804 
1 1 1 -21 5  29 o 269.4576 9.543083 2148.784       150.5717 2063.669       209.4685 2239.786       216.5913 262.8082 13.63695 273.8604 13.52718 -11.05219      19.20810 
1 1 1 -21 5  30 o 168.4272 12.30682 848.0731       120.7259 1045.132       165.4935 623.9257       176.5021 186.1508 15.29357 141.2108 22.03128 44.93997       26.81922 
1 1 1 -21 5  31 o 267.9226 9.813401 2129.322       153.9377 1846.886       213.6958 2433.969       221.9398 247.6836 14.77840 285.1275 13.30900 -37.44392      19.88795 
1 1 1 -21 5  32 o 178.1556 11.80043 950.4164       122.6009 822.9384       169.8291 1089.156       177.1715 163.4557 18.01421 189.1308 16.12649 -25.67509      24.17800 
1 1 1 -21 5  33 o 241.0406 9.898220 1730.962       139.6281 1842.534       202.7907 1630.388       192.5362 246.7466 14.07183 231.9868 14.21969 14.75984       20.00540 
1 1 1 -21 5  34 o 32.01630 15.58728 -157.0529      93.89335 -70.08202      133.1284 -243.1329      132.4448 46.86966 21.46979 36.69268 18.00110 10.17698       28.01770 
1 1 1 -21 5  35 o 83.99760 20.81185 232.2733       101.9950 222.6302       141.4851 242.7067       147.1683 81.51637 26.13895 84.61867 26.60279 -3.102303      37.29549 
1 1 1 -21 5  36 o 96.95875 19.43586 306.2181       106.6681 456.7234       147.2169 139.8741       154.7694 117.3746 22.19913 70.20996 26.88696 47.16469       34.86703 
1 1 1 -21 5  37 o 104.5496 17.93356 351.8740       106.0041 433.3566       145.6737 260.1658       154.5442 113.5118 22.67609 86.04472 27.28870 27.46709       35.48068 
1 1 1 -21 5  38 o 77.75687 21.63088 205.5705       102.2266 88.02547       147.7848 313.4171       141.5568 62.46937 25.50521 94.15815 25.15605 -31.68878      35.82377 
1 1 1 -21 5  39 o 138.3227 13.40707 594.0132       107.3999 855.0820       162.3865 391.0181       143.1909 163.4192 17.20087 105.8793 23.65656 57.53992       29.24898 
1 1 1 -21 5  40 o 109.7440 23.34621 421.5849       145.6385 178.3657       381.9911 462.9525       157.5378 82.95308 37.34842 114.4468 24.22699 -31.49373      44.51799 
1 1 1 -21 5  41 o 116.1177 17.91010 443.9367       118.0508 604.6526       384.5090 427.2112       124.0415 106.7722 41.96175 112.8074 19.45138 -6.035240      46.25088 
1 1 1 -21 5  42 o 137.8625 15.02053 607.1766       119.4840 579.8774       377.8440 610.2098       125.9471 103.1333 41.25273 137.5441 15.90611 -34.41078      44.21303 
1 1 1 -21 5  43 o 87.35247 22.84146 276.3839       118.3191 163.2222       392.9185 287.6685       124.0783 78.67124 36.34369 88.68429 23.48730 -10.01305      43.27259 
1 1 1 -21 5  44 o 88.42694 24.38680 293.6675       130.5588 -318.2499      416.8491 360.2236       137.4758 63.70644 31.38774 98.59931 24.00282 -34.89288      39.51361 
1 1 1 -21 5  45 o 48.12960 21.70746 -11.34661      129.6863 -319.0071      439.1523 18.04731       135.7401 64.47781 31.85196 51.52949 22.79038 12.94833       39.16566 
1 1 1 -21 6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 6  2  o 155.5559 23.62541 737.5240       208.7659 966.6899       258.7125 309.7624       353.4625 178.0521 25.50266 110.7247 41.01071 67.32742       48.29351 
1 1 1 -21 6  3  o 187.6250 18.11925 1052.514       196.9023 870.4009       239.4304 1433.009       346.0853 168.9167 24.91611 216.7409 27.87085 -47.82423      37.38445 
1 1 1 -21 6  4  o 201.2113 15.09876 1202.576       176.8743 848.2336       244.3003 1592.934       256.4154 166.4400 25.86705 230.9430 19.10238 -64.50298      32.15595 
1 1 1 -21 6  5  o 361.9588 11.51980 3862.607       244.2313 3819.805       365.4721 3897.144       328.3008 358.7065 17.42471 362.7962 15.46522 -4.089691      23.29794 
1 1 1 -21 6  6  o 89.71930 26.76292 245.1294       151.4507 224.2368       201.9279 271.9952       228.9814 90.09303 31.27588 97.76729 33.32915 -7.674263      45.70572 
1 1 1 -21 6  7  o 80.34219 25.80555 189.6355       137.8576 144.4536       178.8821 255.7169       216.3338 78.20536 29.13516 94.92701 32.39489 -16.72165      43.56933 
1 1 1 -21 6  8  f 99.42075 23.98439 307.3926       138.2238 356.0397       175.9056 228.8723       223.4819 106.7551 27.81915 92.32700 32.83395 14.42810       43.03456 
1 1 1 -21 6  9  o 480.4648 10.35056 6796.225       291.6595 6847.283       406.1430 6741.857       419.0997 481.1629 14.40874 477.2734 14.99127 3.889465       20.79303 
1 1 1 -21 6  10 o 173.4689 14.23628 895.1066       143.5602 941.6871       187.9584 829.8841       222.4123 177.1463 18.35746 164.8938 23.67697 12.25258       29.95990 
1 1 1 -21 6  11 o 419.8112 9.900923 5188.348       243.7699 5223.770       337.9237 5149.915       351.9920 420.2661 13.72862 417.1005 14.41101 3.165588       19.90357 
1 1 1 -21 6  12 o 320.1128 9.710253 3019.442       182.0881 3057.891       245.3315 2972.281       271.7067 321.5270 13.03728 316.6217 14.67207 4.905273       19.62754 
1 1 1 -21 6  13 o 353.2869 9.568855 3677.336       198.0788 3542.696       274.4215 3823.782       286.2010 345.9295 13.55255 359.3983 13.60283 -13.46872      19.20179 
1 1 1 -21 6  14 o 84.91567 23.60705 223.3741       121.8014 139.6576       158.2651 344.9908       190.7552 74.88921 27.49370 104.8759 29.68267 -29.98671      40.45941 
1 1 1 -21 6  15 o 477.7164 9.920629 6723.443       277.9456 6967.562       400.1530 6495.865       386.3588 484.9660 14.08395 468.2483 14.08504 16.71771       19.91849 
1 1 1 -21 6  16 f 249.8974 11.23126 1846.202       164.1834 1852.302       199.9387 1833.571       287.6952 249.8192 13.69890 246.8740 20.04265 2.945236       24.27690 
1 1 1 -21 6  17 o 380.5036 9.398516 4264.443       209.7339 4467.205       300.0011 4070.600       293.3284 388.3956 13.18951 370.6417 13.51691 17.75394       18.88571 
1 1 1 -21 6  18 o 464.9016 9.894513 6369.427       269.7776 6141.827       372.6003 6620.214       391.1193 455.1917 13.97375 472.5462 14.12871 -17.35443      19.87174 
1 1 1 -21 6  19 o 150.6567 14.44591 678.5844       126.0772 744.4997       164.9329 585.9238       195.5519 157.0155 18.25045 137.1770 25.23661 19.83855       31.14427 
1 1 1 -21 6  20 o 154.9496 14.64964 717.8144       131.5470 870.4794       174.2309 515.4050       200.6184 170.0696 17.72817 127.8662 27.56509 42.20332       32.77380 
1 1 1 -21 6  21 o 322.4324 9.959647 3066.778       188.1101 3194.158       263.1331 2933.633       269.0201 328.2062 13.70044 314.2645 14.63637 13.94165       20.04807 
1 1 1 -21 6  22 o 290.1524 10.20206 2485.058       173.3358 2557.996       239.2807 2404.519       251.4386 293.5564 13.93823 284.2829 15.13557 9.273499       20.57571 
1 1 1 -21 6  23 o 158.4751 14.28403 750.3895       131.3351 670.1793       170.7155 866.7034       205.5766 148.2947 20.14971 168.6420 21.25660 -20.34727      29.28914 
1 1 1 -21 6  24 o 192.8407 11.94644 1103.630       134.4466 1034.997       177.9723 1194.863       205.1922 185.7070 16.51283 199.2997 17.74034 -13.59270      24.23619 
1 1 1 -21 6  25 o 170.8989 12.83056 870.0430       127.6594 887.1901       175.0884 850.5818       186.5296 171.4060 17.67023 167.3109 19.36682 4.095108       26.21662 
1 1 1 -21 6  26 o 286.8719 9.611723 2431.337       161.4828 2173.930       221.2702 2724.657       236.2026 270.0967 14.01656 302.6780 13.33894 -32.58133      19.34919 
1 1 1 -21 6  27 o 83.31478 22.12077 218.6742       109.8851 125.2600       145.9523 340.9146       166.9598 70.79300 26.32812 103.0542 27.22295 -32.26118      37.87161 
1 1 1 -21 6  28 o 171.4824 13.73912 881.1824       137.0197 971.4127       177.4268 747.8566       215.6752 179.0855 17.10047 154.2040 24.68005 24.88148       30.02551 
1 1 1 -21 6  29 o 361.9568 9.385705 3874.518       199.0708 3808.458       283.4817 3938.788       279.6154 357.2223 13.55579 363.4830 13.13837 -6.260712      18.87793 
1 1 1 -21 6  30 o 302.5610 9.399298 2709.979       166.5834 2716.368       239.3647 2703.978       231.9780 301.3806 13.57722 300.8600 13.17913 0.5205688      18.92169 
1 1 1 -21 6  31 o 130.2988 15.48713 517.4725       116.0355 419.8409       156.8046 635.6498       172.5164 114.1768 24.17114 142.4024 21.31097 -28.22562      32.22424 
1 1 1 -21 6  32 o 182.4511 11.64369 996.7103       123.9411 1063.893       175.8393 930.3766       174.7243 186.7595 16.21451 174.0758 17.34511 12.68370       23.74369 
1 1 1 -21 6  33 o 202.0954 10.75078 1221.888       126.9642 1155.221       176.0029 1294.221       183.3302 194.3895 15.56823 205.9614 15.28639 -11.57184      21.81842 
1 1 1 -21 6  34 o 59.48497 21.68526 98.10442       98.19495 131.5990       138.4958 64.24677       139.2445 68.57606 25.61860 60.38277 24.71751 8.193291       35.59870 
1 1 1 -21 6  35 o 98.10474 18.25804 308.5917       101.1847 488.0753       148.6790 153.7421       138.0996 122.1989 21.53227 71.11703 25.74708 51.08186       33.56413 
1 1 1 -21 6  36 o 204.3245 10.55086 1256.717       126.0043 1399.522       174.1914 1099.978       182.4923 213.6029 13.98180 187.4548 16.77678 26.14806       21.83921 
1 1 1 -21 6  37 o 161.6977 12.41357 798.8085       116.8199 812.9918       165.7688 784.8155       164.6536 159.7061 18.01210 156.7221 18.25528 2.984024       25.64549 
1 1 1 -21 6  38 o 112.0985 16.56522 401.7488       105.6290 461.5812       153.7630 348.2809       145.3553 115.8719 23.43302 99.28722 24.98581 16.58470       34.25488 
1 1 1 -21 6  39 o 62.41816 24.07674 110.8809       124.7319 145.7045       342.2952 105.5488       133.9412 80.64031 35.89852 62.59227 24.71468 18.04805       43.58347 
1 1 1 -21 6  40 o 91.62402 19.76988 283.5844       103.1122 -80.68822      399.6029 309.5688       106.7265 72.98872 34.63565 95.91908 19.63396 -22.93037      39.81357 
1 1 1 -21 6  41 o 84.91306 21.99249 254.0534       110.3855 554.9147       388.5131 227.6333       115.1303 102.7180 41.56933 79.74595 23.21600 22.97207       47.61294 
1 1 1 -21 6  42 o 56.33820 22.99500 76.29595       120.0822 -66.00745      367.2869 93.32764       127.0652 69.33190 32.98771 59.13836 23.82995 10.19354       40.69466 
1 1 1 -21 6  43 f 61.00385 23.14967 117.9641       114.0716 -952.5878      383.0762 222.1280       119.4923 49.88224 25.31074 77.63795 23.90261 -27.75570      34.81334 
1 1 1 -21 6  44 o 136.7087 15.15004 603.0739       119.4312 -15.87696      441.9977 651.8242       124.0454 72.86388 35.07056 142.2090 15.10388 -69.34509      38.18470 
1 1 1 -21 6  45 o 43.33408 20.53625 -102.1495      139.5821 -178.9441      412.0804 -92.19650      148.3519 66.18394 32.31699 45.36357 21.39982 20.82038       38.76003 
1 1 1 -21 7  1  o 497.3594 12.25610 7289.524       357.4976 6691.027       543.7215 7745.291       474.4786 474.3097 19.58843 511.5942 15.83302 -37.28448      25.18712 
1 1 1 -21 7  2  o 565.6242 23.43933 9567.103       775.8569 0.000000       0.000000 9567.103       775.8569 ?        ?        565.6242 23.43933 0.000000       23.43933 
1 1 1 -21 7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  4  o 469.8573 14.12780 6523.105       388.8638 5976.267       487.1557 7483.441       645.5792 448.4718 18.56188 500.6203 22.04228 -52.14853      28.81676 
1 1 1 -21 7  5  o 117.7672 22.86917 427.4967       152.2566 164.8498       197.5706 811.5917       238.9216 82.68349 30.65431 162.6237 25.92017 -79.94024      40.14401 
1 1 1 -21 7  6  o 180.1571 15.70099 967.0695       164.2377 841.8114       218.9527 1128.220       248.3494 166.3970 23.05512 193.2501 22.32239 -26.85313      32.09093 
1 1 1 -21 7  7  o 70.70425 26.05456 120.6275       142.3482 -9.607833      178.2067 350.2092       236.6074 62.40450 26.87496 107.3196 33.73025 -44.91510      43.12764 
1 1 1 -21 7  8  o 224.3098 11.74062 1486.957       153.9129 1586.330       200.9825 1346.035       239.3387 231.1694 14.90383 211.9091 19.47572 19.26024       24.52403 
1 1 1 -21 7  9  o 385.4316 10.01096 4375.919       226.1028 4514.202       310.0674 4218.890       330.4170 390.7533 13.55067 377.4018 14.95784 13.35150       20.18310 
1 1 1 -21 7  10 o 163.9002 15.07790 801.3488       143.3112 814.5176       183.9165 780.9936       228.6568 164.3408 19.45916 159.3786 25.30758 4.962219       31.92386 
1 1 1 -21 7  11 o 146.3236 15.26827 640.5295       129.0995 649.5135       161.7070 624.7389       214.3841 146.5106 19.28756 141.7379 26.77119 4.772659       32.99555 
1 1 1 -21 7  12 o 413.3934 9.735809 5031.791       236.0403 4919.945       324.2019 5157.955       344.3293 407.7686 13.57554 417.3831 14.08677 -9.614471      19.56355 
1 1 1 -21 7  13 o 243.1182 11.27485 1746.881       160.3225 1638.426       223.6557 1861.511       229.9352 234.4072 16.37184 250.0731 15.75802 -15.66597      22.72339 
1 1 1 -21 7  14 o 167.1654 12.78906 830.4229       124.4301 635.2385       158.8037 1140.825       200.2630 144.7479 19.17818 195.0486 17.69933 -50.30074      26.09730 
1 1 1 -21 7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 7  16 o 144.1936 16.40380 625.4785       136.2573 623.2781       159.8268 631.3325       260.6918 143.1927 19.54104 140.5297 32.30722 2.662979       37.75724 
1 1 1 -21 7  17 o 131.5782 18.35948 525.6866       137.8232 550.2138       156.9454 443.0310       288.1120 134.1001 20.61477 118.6250 37.21202 15.47508       42.54060 
1 1 1 -21 7  18 o 512.5833 10.26028 7745.812       308.4425 7776.506       436.2358 7715.126       436.1714 512.0261 14.54182 509.9771 14.59832 2.048920       20.60524 
1 1 1 -21 7  19 o 356.0364 9.778740 3737.956       203.9935 3601.941       282.5871 3885.960       294.7798 348.5153 13.85307 361.9987 13.91071 -13.48334      19.63200 
1 1 1 -21 7  20 o 30.66327 15.32197 -305.9394      113.8005 -441.9823      142.6285 -67.60677      188.7817 32.49743 16.36386 59.40860 26.53913 -26.91117      31.17854 
1 1 1 -21 7  21 o 244.0162 11.09022 1760.502       158.2970 1786.574       216.6048 1730.615       231.9098 244.9571 15.15160 240.7298 16.52653 4.227325       22.42090 
1 1 1 -21 7  22 o 397.2740 9.951110 4654.979       231.6702 4533.490       326.3879 4778.336       328.8887 390.8622 14.26227 401.3796 13.99291 -10.51743      19.98033 
1 1 1 -21 7  23 o 328.8446 9.657985 3190.109       186.0617 3177.846       256.7346 3203.675       270.0307 327.3084 13.40282 328.4527 14.05058 -1.144287      19.41789 
1 1 1 -21 7  24 o 156.1759 13.44782 728.1566       121.9749 738.4786       158.9694 713.3811       190.1976 156.3036 17.65017 152.3782 21.91226 3.925385       28.13673 
1 1 1 -21 7  25 o 300.5017 9.487167 2665.986       166.9896 2687.306       236.4028 2644.754       235.9160 300.6849 13.43970 298.2657 13.52180 2.419220       19.06474 
1 1 1 -21 7  26 o 118.7583 16.92669 429.9865       114.5597 355.9569       151.9081 527.6094       174.4432 105.8393 24.89288 129.6974 23.81080 -23.85805      34.44720 
1 1 1 -21 7  27 o 287.7910 10.55042 2453.223       177.7713 2828.540       235.5033 1956.099       271.0384 308.2472 13.05666 254.3372 18.29284 53.91000       22.47453 
1 1 1 -21 7  28 o 283.3567 17.63061 2425.228       291.5375 2972.639       534.9434 2193.948       347.7125 305.5763 30.24590 267.0658 22.40631 38.51053       37.64117 
1 1 1 -21 7  29 o 51.51929 21.41207 25.09937       106.6340 24.51698       142.7365 25.83494       160.4131 58.24269 24.52796 61.36779 25.93155 -3.125103      35.69406 
1 1 1 -21 7  30 o 122.2167 16.66840 457.7021       116.3641 386.4524       156.9022 544.7925       173.4694 109.4508 24.99384 131.0693 23.42677 -21.61845      34.25647 
1 1 1 -21 7  31 o 77.45688 22.85744 190.3167       110.9522 265.9531       157.9185 116.5818       155.9209 90.58623 27.39853 69.98172 26.93885 20.60451       38.42371 
1 1 1 -21 7  32 o 40.64459 18.72375 -69.87616      103.2386 -121.9349      139.6128 -7.063910      153.3559 45.01215 21.08434 56.36170 24.59657 -11.34955      32.39662 
1 1 1 -21 7  33 o 200.5352 10.65022 1203.433       124.8072 1375.558       183.2956 1054.648       170.4155 212.4978 14.80028 185.4415 15.82031 27.05634       21.66404 
1 1 1 -21 7  34 o 124.7336 14.81429 480.1913       106.2572 402.2536       158.8130 543.3574       142.9730 109.0962 25.31184 130.6947 19.22696 -21.59850      31.78624 
1 1 1 -21 7  35 o 98.31174 18.40880 310.6914       102.2408 352.6201       141.5615 264.9719       147.8223 102.1062 24.04050 87.79004 26.49863 14.31615       35.77881 
1 1 1 -21 7  36 o 54.39610 21.45730 66.26850       100.8718 147.3107       143.0485 -13.88645      142.2633 70.09433 26.06555 52.48352 23.26592 17.61081       34.93875 
1 1 1 -21 7  37 o 91.45124 20.01997 277.3826       104.3901 340.7795       152.4202 221.3733       143.2646 98.19913 26.04341 80.04816 26.35039 18.15098       37.04865 
1 1 1 -21 7  38 o 132.8214 18.97905 575.4225       143.6418 609.7391       378.6382 569.6535       155.2469 113.2390 42.34811 130.7655 20.95028 -17.52657      47.24697 
1 1 1 -21 7  39 o 39.99850 18.31424 -46.17418      96.72891 -234.6090      347.6568 -30.36298      100.7053 64.62051 31.10302 42.32240 19.10484 22.29811       36.50195 
1 1 1 -21 7  40 o 145.3269 13.21321 657.6650       111.3873 701.9080       403.2285 654.0100       115.8969 114.4896 43.50609 144.5150 13.84346 -30.02541      45.65546 
1 1 1 -21 7  41 o 107.4986 19.60189 390.2592       119.0289 -381.3318      400.3624 465.0721       124.6659 63.05209 31.00571 118.3023 18.57985 -55.25023      36.14643 
1 1 1 -21 7  42 o 46.14856 20.49564 -4.569300      110.9128 -1218.105      415.5466 88.51425       115.0880 49.32979 25.15640 57.30437 22.81852 -7.974575      33.96365 
1 1 1 -21 7  43 o 46.43807 20.80257 -10.23044      116.8552 -210.4997      384.9968 10.09175       122.6409 64.93929 31.60409 49.25745 21.72955 15.68183       38.35352 
1 1 1 -21 7  44 o 56.11292 22.73127 82.84916       116.3056 -415.7277      417.4101 124.8160       121.1016 61.40808 30.46283 62.02310 23.77546 -0.6150169     38.64267 
1 1 1 -21 7  45 o 46.08081 21.51103 -66.75072      143.2748 -22.09765      324.4756 -77.56548      159.6852 66.00394 31.28881 47.88723 22.46877 18.11671       38.52058 
1 1 1 -21 8  1  o 442.4960 13.78097 5784.521       357.1987 6142.802       494.6841 5394.214       516.3207 454.6408 18.59200 425.2841 20.76369 29.35672       27.87101 
1 1 1 -21 8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 8  3  o 275.3285 13.76174 2242.990       221.5114 1919.765       271.5563 2885.722       382.9332 253.7439 18.37236 310.6149 21.14695 -56.87103      28.01316 
1 1 1 -21 8  4  o 481.8827 11.71469 6842.155       331.0723 6273.835       497.1581 7295.005       443.7879 459.4373 18.48867 496.5166 15.25833 -37.07925      23.97180 
1 1 1 -21 8  5  o 150.3952 18.10131 680.3275       156.4534 794.1910       209.0719 535.4172       235.8593 161.6091 22.68219 130.3627 31.25498 31.24638       38.61807 
1 1 1 -21 8  6  o 526.5800 12.11520 8174.636       374.1497 8491.963       615.1876 7988.354       471.3443 534.0334 19.67577 519.4443 15.48938 14.58905       25.04111 
1 1 1 -21 8  7  o 600.1267 12.94446 10627.20       455.5935 10306.51       733.4218 10828.70       581.3657 587.5117 21.32100 604.4305 16.41553 -16.91882      26.90826 
1 1 1 -21 8  8  o 176.2252 14.52353 924.1093       148.7722 996.1561       196.0172 826.2170       228.4869 182.1942 18.60553 164.3145 24.45428 17.87971       30.72747 
1 1 1 -21 8  9  o 216.1277 11.51603 1380.796       145.4431 1259.165       183.4141 1586.846       238.7243 205.7120 15.31259 230.5221 17.79534 -24.81010      23.47658 
1 1 1 -21 8  10 o 405.9066 9.859856 4850.670       234.7184 4944.847       321.5527 4743.257       343.4080 408.9196 13.42619 400.1657 14.65732 8.753815       19.87711 
1 1 1 -21 8  11 o 244.0231 10.73584 1758.117       153.2686 1911.915       202.2187 1550.492       234.9557 253.9781 13.62597 227.7556 17.72960 26.22244       22.36080 
1 1 1 -21 8  12 o 105.4859 19.74325 342.2310       117.6534 579.0722       149.2133 -47.02507      191.2919 138.2086 18.90352 61.49151 27.13188 76.71709       33.06784 
1 1 1 -21 8  13 o 68.31860 23.43529 129.4277       113.2501 271.2655       140.9263 -129.1712      190.2872 93.23773 25.18379 55.64603 25.55606 37.59170       35.87946 
1 1 1 -21 8  14 o 248.8780 11.31071 1831.114       164.6609 1859.995       195.1827 1759.817       306.6688 250.4451 13.33666 241.3040 21.90834 9.141129       25.64843 
1 1 1 -21 8  15 o 170.6965 14.02625 868.3073       139.1784 981.5658       164.1952 579.2358       262.3177 181.2305 15.59989 134.3659 33.42534 46.86462       36.88645 
1 1 1 -21 8  16 o 223.2376 11.84183 1475.668       154.4828 1290.557       177.7477 2047.215       312.3299 208.1711 14.65265 260.7061 20.59450 -52.53506      25.27516 
1 1 1 -21 8  17 o 445.6570 11.90677 5869.977       310.9252 6070.185       604.4235 5797.932       362.5778 448.4252 23.06014 442.2511 13.99681 6.174103       26.97556 
1 1 1 -21 8  18 o 335.6581 10.87423 3327.021       213.7827 3452.750       258.6323 3055.817       379.8517 341.4566 12.93847 318.8519 20.42036 22.60474       24.17427 
1 1 1 -21 8  19 o 386.5115 9.846433 4404.989       223.0171 4353.919       310.0003 4459.773       321.0790 383.2422 13.81495 387.7790 14.14181 -4.536804      19.76977 
1 1 1 -21 8  20 o 102.9929 21.75402 329.8632       127.2748 304.6137       163.1089 369.1700       203.5101 98.54090 27.28940 108.1264 30.67809 -9.585541      41.05918 
1 1 1 -21 8  21 o 219.8183 11.65146 1430.726       149.6720 1344.382       193.3433 1559.850       236.4367 212.2328 15.64332 228.1255 17.81333 -15.89272      23.70714 
1 1 1 -21 8  22 o 215.6684 11.46706 1377.296       144.5192 1278.665       190.0250 1512.610       222.5748 206.8708 15.78161 224.7772 17.01017 -17.90637      23.20356 
1 1 1 -21 8  23 o 154.9736 13.60924 716.9603       122.4373 730.3430       158.8435 697.3695       192.1876 155.4820 17.73647 150.5735 22.44835 4.908493       28.60962 
1 1 1 -21 8  24 o 173.5503 12.15459 895.5145       122.9311 906.5184       162.5620 880.8170       187.8739 173.7212 16.14030 170.4053 19.12880 3.315857       25.02839 
1 1 1 -21 8  25 o 152.9862 13.49376 699.8590       119.8301 702.2850       155.8492 696.3508       187.4138 152.1826 17.79753 150.2884 21.90716 1.894150       28.22544 
1 1 1 -21 8  26 o 378.9694 9.556914 4242.836       212.2393 4353.999       312.9350 4148.147       288.8169 382.3011 13.98074 373.4581 13.20731 8.843018       19.23263 
1 1 1 -21 8  27 o 147.9059 13.43167 655.9557       115.2415 645.5676       153.0624 669.5512       175.1049 145.3495 18.36502 147.2348 20.86212 -1.885345      27.79392 
1 1 1 -21 8  28 o 196.0327 11.04247 1142.309       126.4404 1195.683       174.5451 1083.375       183.4115 199.4462 15.03281 189.2507 16.69592 10.19553       22.46640 
1 1 1 -21 8  29 o 152.4163 13.20194 697.1652       116.8477 775.5977       161.9211 611.9395       168.7878 159.4665 17.60622 140.1896 21.18995 19.27693       27.54983 
1 1 1 -21 8  30 o 168.6665 13.29468 854.5010       130.4469 806.1746       180.6578 907.1448       188.5552 161.6364 19.44778 171.7466 19.03918 -10.11020      27.21593 
1 1 1 -21 8  31 o 159.4093 13.32241 765.6658       123.4131 772.2313       169.3868 758.2372       180.1774 158.1293 18.62149 156.0102 20.16343 2.119095       27.44674 
1 1 1 -21 8  32 o 330.6840 9.280480 3247.725       179.8061 3428.757       269.0888 3101.690       241.6819 337.3348 13.62947 321.2965 12.85183 16.03827       18.73318 
1 1 1 -21 8  33 o 111.4221 17.47094 389.9651       110.4158 330.0844       158.3699 446.6043       154.0238 98.66759 26.71681 116.6528 23.32910 -17.98525      35.46878 
1 1 1 -21 8  34 o 200.3492 10.47838 1204.352       122.6930 1139.003       176.2943 1265.735       170.8615 192.0874 15.78832 203.3805 14.41814 -11.29311      21.38115 
1 1 1 -21 8  35 o 106.6638 17.20538 361.2259       103.9683 473.7897       154.8071 268.7386       140.3242 119.2841 22.96201 88.44141 25.59649 30.84267       34.38654 
1 1 1 -21 8  36 o 374.2793 10.11517 4204.837       221.8304 4401.973       368.2970 4092.603       277.8927 375.4967 16.76634 366.5612 12.94681 8.935516       21.18324 
1 1 1 -21 8  37 o 138.7324 18.24218 618.6833       144.8314 14.86097       385.4591 717.9435       156.2829 78.75977 36.24495 149.6109 18.18436 -70.85111      40.55080 
1 1 1 -21 8  38 o 172.3855 10.92595 903.2607       109.8930 1089.489       359.5339 884.0695       115.4165 160.5168 38.65566 170.1371 11.63700 -9.620361      40.36930 
1 1 1 -21 8  39 o 45.98583 20.23458 -2.892506      105.7132 -393.3835      411.9868 24.62960       109.3752 65.10918 31.90206 49.59552 21.20068 15.51367       38.30418 
1 1 1 -21 8  40 o 172.5334 11.70693 914.7841       117.7570 483.6666       417.9981 951.9490       122.7278 98.54902 41.76125 175.8339 11.97259 -77.28492      43.44358 
1 1 1 -21 8  41 o 37.24210 17.72011 -104.6550      105.9989 -534.5245      412.3324 -74.23653      109.6851 60.26328 29.95955 40.15860 18.77104 20.10468       35.35430 
1 1 1 -21 8  42 o 87.69129 22.71057 276.8377       117.7168 -193.2182      409.3684 319.2099       122.9081 67.65482 32.84833 94.49844 22.50156 -26.84362      39.81624 
1 1 1 -21 8  43 o 88.50127 27.22443 308.4829       155.0520 0.000000       0.000000 308.4829       155.0520 ?        ?        88.50127 27.22443 0.000000       27.22443 
1 1 1 -21 8  44 o 89.04018 24.51188 299.1610       132.0349 283.1401       360.2072 301.6477       141.9124 81.95988 36.63303 88.33907 25.79164 -6.379181      44.80165 
1 1 1 -21 9  1  o 444.7456 11.70735 5832.557       305.1004 5558.135       461.8898 6044.979       406.3759 432.4307 18.25363 451.8807 15.35625 -19.45004      23.85392 
1 1 1 -21 9  2  o 375.0803 23.50533 4222.549       514.4608 0.000000       0.000000 4222.549       514.4608 ?        ?        375.0803 23.50533 0.000000       23.50533 
1 1 1 -21 9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  4  o 459.7928 11.51587 6233.294       310.2897 5478.553       451.3919 6909.416       427.2357 429.3440 17.96630 483.1692 15.09562 -53.82520      23.46627 
1 1 1 -21 9  5  o 416.2227 11.16108 5107.288       272.2015 5057.758       411.1796 5145.929       363.1763 412.7448 17.02286 416.9367 14.87625 -4.191925      22.60709 
1 1 1 -21 9  6  o 446.9266 11.39369 5889.919       298.3987 5866.292       457.6231 5907.396       393.5799 444.3271 17.59601 446.6703 15.04581 -2.343231      23.15159 
1 1 1 -21 9  7  o 121.8849 20.17159 453.6777       139.1526 392.8109       170.7157 574.1828       240.2073 112.0604 26.41101 134.8862 31.01349 -22.82574      40.73547 
1 1 1 -21 9  8  f 200.7377 12.92736 1194.333       151.3820 1155.666       193.3735 1255.542       243.2959 196.6960 16.92746 204.2163 20.59498 -7.520279      26.65881 
1 1 1 -21 9  9  o 84.43661 24.65674 218.6111       129.6878 213.4973       162.1263 227.6973       216.1070 85.39848 28.02725 91.33523 32.30659 -5.936752      42.76965 
1 1 1 -21 9  10 o 57.05255 22.56868 55.27088       111.8778 54.77286       134.1383 56.40914       202.7903 60.94755 24.51040 71.98341 29.68616 -11.03585      38.49711 
1 1 1 -21 9  11 o 105.9784 20.62807 346.5346       123.5971 308.2387       150.6783 425.2960       216.0884 99.23486 25.69109 115.9312 31.12886 -16.69639      40.36134 
1 1 1 -21 9  12 o 160.6974 13.04487 768.0859       121.8854 738.7425       155.3739 815.0353       196.5345 156.7589 17.18151 163.8241 20.93312 -7.065140      27.08135 
1 1 1 -21 9  13 f 197.9359 11.41598 1159.734       131.9599 1167.315       169.3328 1148.009       210.5769 197.9808 14.68832 195.4272 18.59668 2.553635       23.69775 
1 1 1 -21 9  14 o 512.4584 10.23217 7740.095       307.5224 7940.098       442.9120 7553.932       427.3122 517.4769 14.60868 504.7873 14.44885 12.68961       20.54709 
1 1 1 -21 9  15 o 230.2080 19.27519 1593.206       257.8505 1254.842       458.6707 1749.550       311.7817 195.6712 41.26991 240.3177 22.37871 -44.64650      46.94690 
1 1 1 -21 9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 9  17 o 193.8012 17.07169 1125.826       192.0551 1854.126       461.5498 973.3162       211.2087 242.8851 33.27554 179.2131 20.46138 63.67200       39.06315 
1 1 1 -21 9  18 o 275.8862 9.999162 2246.107       161.5196 2008.044       213.0042 2568.203       247.7620 260.0283 14.01929 294.0591 14.41034 -34.03073      20.10468 
1 1 1 -21 9  19 o 322.6011 9.927134 3069.778       187.5958 2995.823       250.4385 3164.326       283.1671 317.9050 13.46287 326.3668 14.83279 -8.461823      20.03149 
1 1 1 -21 9  20 o 186.3064 12.74811 1030.865       138.4520 943.9104       171.7337 1192.325       234.0136 177.4161 16.70133 198.5946 20.38088 -21.17845      26.34985 
1 1 1 -21 9  21 o 181.3402 13.41941 978.5137       141.7065 1140.183       185.3316 750.9666       219.8729 195.1766 16.34076 155.7797 24.90476 39.39690       29.78704 
1 1 1 -21 9  22 o 421.4623 9.776026 5236.122       241.6415 5339.663       345.0975 5136.522       338.4645 424.2641 13.88803 416.1068 13.88887 8.157318       19.64123 
1 1 1 -21 9  23 o 115.0677 18.58100 405.5804       121.1220 453.1261       157.6051 336.9863       189.3032 120.5517 23.13294 103.1820 29.68961 17.36977       37.63783 
1 1 1 -21 9  24 o 113.4480 18.46387 394.8279       118.6278 377.5876       153.4654 420.4227       186.9882 109.3756 24.53045 114.7223 28.03373 -5.346695      37.25094 
1 1 1 -21 9  25 o 372.6899 9.538902 4101.653       208.3241 3914.864       287.3829 4308.503       302.4214 362.8168 13.52958 380.6281 13.56927 -17.81137      19.16180 
1 1 1 -21 9  26 f 155.9623 15.62982 733.5786       141.0387 607.0779       155.1347 1336.316       338.6310 140.6737 19.31306 205.3212 28.92214 -64.64751      34.77765 
1 1 1 -21 9  27 o 254.4466 9.825124 1916.573       146.3418 1974.074       203.6358 1855.159       210.4495 257.1590 13.54993 248.9601 14.47588 8.198898       19.82805 
1 1 1 -21 9  28 o 68.86855 23.23952 138.4635       111.3050 237.2538       150.5886 19.50158       165.2489 86.84547 26.84993 61.60709 26.18818 25.23838       37.50653 
1 1 1 -21 9  29 o 77.07302 22.86657 186.4395       110.7982 186.7472       147.8740 186.0455       167.3032 78.98410 26.78580 80.28938 28.42311 -1.305275      39.05576 
1 1 1 -21 9  30 o 186.2880 11.72447 1036.694       127.4443 971.7587       177.0687 1106.488       183.5741 178.4825 17.12580 190.7752 16.57161 -12.29265      23.83089 
1 1 1 -21 9  31 o 205.1861 11.06018 1256.770       132.6028 1307.657       189.9233 1208.371       185.2223 207.4715 15.72591 199.2840 15.98172 8.187515       22.42141 
1 1 1 -21 9  32 o 37.78365 17.85727 -108.9617      104.1907 -227.5265      144.7794 18.40659       150.0581 40.12821 19.49526 57.84687 24.78257 -17.71866      31.53158 
1 1 1 -21 9  33 o 224.1116 9.958364 1500.834       130.5620 1533.187       189.6799 1471.703       179.9864 224.2035 14.50323 219.9183 14.02807 4.285248       20.17748 
1 1 1 -21 9  34 o 118.4509 15.96021 438.1318       108.0547 491.0055       156.1026 389.4922       149.7220 122.0410 22.64340 107.5132 24.31649 14.52780       33.22672 
1 1 1 -21 9  35 o 158.6363 12.29365 765.6942       113.4837 628.5376       161.4271 899.7122       159.5695 139.3363 20.35498 169.8441 16.21613 -30.50778      26.02475 
1 1 1 -21 9  36 o 57.99325 23.65776 66.45406       127.0206 -192.2996      404.8422 94.70733       133.7756 73.14715 34.75441 62.24621 24.66111 10.90094       42.61502 
1 1 1 -21 9  37 o 134.6167 13.30076 560.1742       103.6380 -89.11125      387.6174 610.1638       107.5536 74.26326 34.89560 140.5958 13.19807 -66.33255      37.30807 
1 1 1 -21 9  38 o 128.0943 14.19212 513.2546       104.8307 90.80780       397.1595 544.8906       108.6851 81.01207 37.09960 131.9770 14.26835 -50.96490      39.74878 
1 1 1 -21 9  39 o 98.46095 19.46098 324.4573       108.3922 296.4230       436.2903 326.3015       111.9006 90.29365 40.34017 98.36993 20.07663 -8.076279      45.05996 
1 1 1 -21 9  40 o 98.58248 18.92595 325.5996       105.4455 333.1248       427.7151 325.1126       108.8037 89.98151 40.08825 98.07610 19.60193 -8.094589      44.62402 
1 1 1 -21 9  41 o 158.1886 13.36530 784.1945       122.8359 127.9889       381.1470 860.2502       129.7593 77.90808 35.92106 165.6377 13.47388 -87.72958      38.36493 
1 1 1 -21 9  42 o 83.59045 25.99537 265.3809       140.9212 786.7199       408.6377 195.0115       150.1309 114.8132 43.75697 73.11528 26.78845 41.69797       51.30588 
1 1 1 -21 9  43 o 96.41259 24.25362 346.1009       136.9966 486.0634       394.4795 326.9054       146.0892 93.29691 40.07951 92.12431 25.94244 1.172592       47.74282 
1 1 1 -21 9  44 o 45.46445 21.08822 -56.94500      134.2904 344.9961       381.3140 -113.8561      143.4829 85.02492 37.86747 43.41726 20.64642 41.60766       43.13026 
1 1 1 -21 10 1  o 330.9265 12.75352 3235.558       247.0578 3169.393       312.1918 3346.428       404.1227 326.7343 16.34396 334.5369 20.69907 -7.802582      26.37379 
1 1 1 -21 10 2  o 296.4105 26.36759 2662.688       453.5893 0.000000       0.000000 2662.688       453.5893 ?        ?        296.4105 26.36759 0.000000       26.36759 
1 1 1 -21 10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 10 4  o 226.2159 12.55822 1514.242       165.9565 1424.525       212.5225 1654.444       265.6707 218.6235 16.70158 235.0621 19.44508 -16.43864      25.63306 
1 1 1 -21 10 5  o 301.6249 11.06695 2684.088       195.4379 2676.171       271.8114 2692.563       281.2100 300.3099 15.48519 301.1155 15.98104 -0.8056335     22.25275 
1 1 1 -21 10 6  o 178.3749 14.12670 946.1381       146.5773 907.4882       184.8277 1011.645       240.6226 173.8215 18.41016 182.4906 22.99178 -8.669083      29.45430 
1 1 1 -21 10 7  o 148.5875 15.31945 660.2999       131.5870 713.8834       158.8328 543.0447       234.9581 154.0319 17.91642 131.0416 31.05108 22.99030       35.84923 
1 1 1 -21 10 8  o 160.4246 14.15693 766.7649       131.8305 947.6149       163.9885 436.3681       221.6522 178.1470 15.86153 117.5184 31.51474 60.62857       35.28125 
1 1 1 -21 10 9  o 304.0507 10.67823 2727.592       190.1170 2936.407       270.1790 2522.786       267.5721 314.6457 14.68177 291.3466 15.71778 23.29916       21.50821 
1 1 1 -21 10 10 o 467.4424 11.23624 6443.638       308.0347 6803.839       503.9107 6228.738       389.2237 477.8975 18.01135 458.5031 14.49280 19.39441       23.11817 
1 1 1 -21 10 11 o 59.32509 22.30597 79.31390       105.3495 171.9472       124.0417 -160.4565      199.5639 76.26867 24.47649 55.47052 25.72182 20.79815       35.50648 
1 1 1 -21 10 12 o 242.0216 10.06831 1728.801       142.5974 1692.656       184.5326 1782.376       224.6648 238.9136 13.22143 244.6230 15.74343 -5.709366      20.55874 
1 1 1 -21 10 13 o 379.7155 9.527914 4249.252       212.0135 4305.229       296.0538 4190.325       303.7594 381.3217 13.25836 376.0427 13.79682 5.278992       19.13469 
1 1 1 -21 10 14 o 125.6275 16.06719 476.0209       115.6731 333.5570       143.2073 743.4434       196.2058 103.1906 24.10147 155.9248 22.07220 -52.73418      32.68123 
1 1 1 -21 10 15 o 243.2944 11.85939 1752.040       168.7076 1923.979       200.0969 1329.308       313.7514 254.6499 13.44585 207.8551 26.32771 46.79477       29.56246 
1 1 1 -21 10 16 o 310.6296 9.569978 2845.218       174.1349 2681.138       231.5127 3058.982       264.2497 300.7858 13.15584 321.0829 14.06702 -20.29709      19.26025 
1 1 1 -21 10 17 o 52.49030 22.63948 -8.412841      126.8324 -37.85916      142.3001 105.3757       279.7300 52.93188 23.37606 85.69046 35.05033 -32.75858      42.13034 
1 1 1 -21 10 18 o 146.1833 15.47724 640.9805       130.6780 674.7699       162.2063 578.4934       220.5830 149.2225 18.96223 135.3420 28.68229 13.88045       34.38371 
1 1 1 -21 10 19 o 313.6233 10.15241 2902.235       186.4900 3083.184       258.3526 2705.376       269.4719 322.4557 13.69248 301.5984 15.28453 20.85730       20.52074 
1 1 1 -21 10 20 o 175.1672 13.86232 914.1499       141.2493 944.0559       180.7444 867.2319       226.3892 177.1849 17.62708 168.0846 23.61603 9.100357       29.46915 
1 1 1 -21 10 21 o 238.1062 11.02161 1676.799       153.4923 1682.494       203.1718 1669.227       234.2782 237.7405 14.64274 236.1802 17.02798 1.560257       22.45800 
1 1 1 -21 10 22 o 198.6418 11.66358 1169.930       135.2814 1220.117       180.3839 1105.417       204.5134 202.0787 15.33491 191.4838 18.43895 10.59491       23.98237 
1 1 1 -21 10 23 o 195.0033 11.87098 1128.781       135.1191 1214.792       176.9614 1008.526       209.2445 201.5926 15.07685 182.2469 19.89986 19.34575       24.96629 
1 1 1 -21 10 24 o 165.2676 12.89803 814.5226       124.0254 926.6017       159.8724 645.1152       196.5518 175.6684 15.68252 143.8318 24.15631 31.83650       28.80050 
1 1 1 -21 10 25 o 452.5285 9.911308 6048.611       263.0434 5869.440       372.5343 6226.757       371.4671 443.8136 14.33128 457.3685 13.86454 -13.55487      19.94018 
1 1 1 -21 10 26 o 59.15454 26.78254 -89.23614      199.6531 107.7928       454.8077 -136.2683      222.2084 100.5596 43.11446 59.99582 27.57680 40.56373       51.17945 
1 1 1 -21 10 27 o 137.1444 16.21087 571.2149       127.8698 660.6230       155.6823 385.8446       224.1666 146.9093 18.47695 108.6546 32.59494 38.25473       37.46769 
1 1 1 -21 10 28 o 196.0571 11.35453 1144.133       129.9991 1027.744       180.8152 1268.668       187.0355 184.0949 16.93691 205.1524 15.66365 -21.05754      23.06965 
1 1 1 -21 10 29 o 274.6827 9.651173 2236.018       155.2339 2167.942       221.0851 2302.217       218.0148 268.8777 14.06915 277.3647 13.44248 -8.486938      19.45871 
1 1 1 -21 10 30 o 45.51809 20.29066 -34.15739      109.7375 9.760721       149.6212 -85.28521      161.4359 57.57935 24.70868 52.01789 23.75780 5.561459       34.27757 
1 1 1 -21 10 31 o 189.3369 11.69196 1074.155       129.1962 1060.028       182.8836 1088.229       182.5388 185.9240 16.95863 188.5303 16.68105 -2.606277      23.78766 
1 1 1 -21 10 32 f 432.1379 9.735185 5557.268       246.7272 5995.584       381.7207 5242.754       323.3492 444.5385 14.66157 416.9584 13.23973 27.58011       19.75480 
1 1 1 -21 10 33 o 77.65667 21.77201 198.0610       103.1329 136.2351       144.5368 262.1894       147.2037 69.64472 26.13973 87.98205 26.41795 -18.33733      37.16441 
1 1 1 -21 10 34 o 167.8912 11.84214 853.6072       115.8547 1070.983       170.3352 666.4773       158.0412 185.9669 15.76619 144.5994 19.10285 41.36751       24.76876 
1 1 1 -21 10 35 o 51.81433 22.70805 -1.680364      131.9306 -189.3144      426.7630 18.14649       138.7260 75.64491 35.86613 54.82627 23.66228 20.81865       42.96840 
1 1 1 -21 10 36 o 55.32743 21.31147 77.36858       97.62701 181.3607       406.2600 70.99527       100.5741 88.32515 39.22663 54.78545 21.48169 33.53970       44.72350 
1 1 1 -21 10 37 o 67.13138 21.75241 149.3565       97.81432 -93.22154      382.4024 166.3391       101.1803 73.29076 34.50755 70.29867 22.05211 2.992088       40.95200 
1 1 1 -21 10 38 o 91.78492 20.00413 283.2919       104.6336 373.7394       414.1696 277.1256       108.1415 95.25219 40.99541 90.29382 20.84346 4.958366       45.98993 
1 1 1 -21 10 39 o 97.51881 19.08408 317.5820       105.2369 -39.03543      460.3255 337.2482       108.0997 77.72271 36.96584 100.6055 19.01773 -22.88278      41.57100 
1 1 1 -21 10 40 o 179.5889 12.03965 995.1708       126.0746 646.5793       466.1683 1022.680       130.9547 105.2912 44.33331 181.8270 12.35375 -76.53588      46.02236 
1 1 1 -21 10 41 o 50.85038 21.52333 39.99164       110.8158 -194.7887      399.6989 59.54107       115.3372 67.28759 32.62031 53.76288 22.30006 13.52471       39.51427 
1 1 1 -21 10 42 o 131.9715 17.92673 578.4638       135.1656 525.6691       403.0532 585.1536       143.4738 96.79505 41.01250 131.7173 19.13200 -34.92223      45.25548 
1 1 1 -21 10 43 o 164.7494 14.02701 862.4495       134.2436 556.4983       346.1331 916.6181       145.6435 100.0234 39.65555 169.1136 14.83469 -69.09023      42.33947 
1 1 1 -21 10 44 o 77.93504 25.18370 232.5808       131.1621 -28.89489      422.2801 260.5002       137.9870 71.03597 34.21323 81.89555 25.76138 -10.85957      42.82749 
1 1 1 -21 11 1  o 488.2986 11.79380 7029.964       337.7457 6449.286       505.1140 7499.520       454.2186 465.4909 18.53946 503.1496 15.41095 -37.65866      24.10828 
1 1 1 -21 11 2  f 297.9417 11.25910 2619.720       196.3828 2565.480       269.0787 2681.540       287.2670 293.9617 15.66422 300.3880 16.36804 -6.426239      22.65570 
1 1 1 -21 11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 11 4  o 476.3019 14.17355 6712.027       395.4833 6652.578       502.5420 6808.742       640.9811 472.8458 18.15557 476.2956 23.01471 -3.449738      29.31385 
1 1 1 -21 11 5  o 139.8069 17.02454 588.1777       136.7154 509.9788       168.0835 741.0517       235.0130 128.6369 23.12994 154.6606 26.88504 -26.02367      35.46547 
1 1 1 -21 11 6  f 164.8971 13.73014 809.0496       131.5781 834.8492       159.9281 755.0017       231.4769 166.9881 16.54748 156.3013 26.17671 10.68678       30.96836 
1 1 1 -21 11 7  o 231.5374 11.23197 1584.196       152.0652 1633.774       199.5478 1515.529       234.8425 234.5326 14.57962 225.1060 17.93674 9.426651       23.11475 
1 1 1 -21 11 8  f 300.5894 10.48578 2665.563       184.5693 2617.354       253.0013 2720.408       269.8539 297.0246 14.56823 302.6624 15.25182 -5.637848      21.09150 
1 1 1 -21 11 9  o 258.0410 10.70236 1965.980       161.6125 1952.616       214.4881 1983.533       245.8095 256.4703 14.31670 258.0306 16.32712 -1.560333      21.71503 
1 1 1 -21 11 10 o 177.6544 12.42805 936.5665       128.6712 974.0365       159.1366 865.8150       218.6736 180.6803 15.15748 168.4246 22.71678 12.25568       27.30937 
1 1 1 -21 11 11 o 177.3793 12.89329 934.6607       133.2116 1005.598       175.4062 837.9929       204.7612 183.2964 16.49320 165.9427 21.54803 17.35374       27.13565 
1 1 1 -21 11 12 o 294.2049 9.757926 2552.637       168.1344 2629.109       224.8734 2455.691       253.1940 297.9582 12.89919 287.4259 15.07292 10.53229       19.83890 
1 1 1 -21 11 13 o 519.4056 10.41310 7953.513       317.2028 8276.579       458.7069 7657.449       439.1189 528.2038 14.82221 508.0757 14.75242 20.12811       20.91248 
1 1 1 -21 11 14 o 117.6259 19.16282 423.1825       127.6477 526.9521       141.1401 -43.04435      299.1673 131.6388 18.81636 77.76221 34.13410 53.87662       38.97681 
1 1 1 -21 11 15 o 170.7436 14.41911 869.7678       143.0404 1028.166       162.1484 314.0151       303.7238 185.6122 15.02383 106.1177 38.21445 79.49443       41.06166 
1 1 1 -21 11 16 o 207.7670 11.21437 1277.464       136.1411 1180.797       170.4475 1447.806       226.2635 199.0635 14.70363 219.7969 17.70225 -20.73341      23.01232 
1 1 1 -21 11 17 o 143.8641 14.62708 619.5211       121.6987 539.4432       149.6920 775.6328       209.0067 132.9702 19.79808 159.0106 23.08632 -26.04034      30.41286 
1 1 1 -21 11 18 o 79.34110 24.72265 189.8500       127.3916 96.53075       155.7743 378.2833       221.3547 69.13300 26.84129 109.5812 32.27156 -40.44822      41.97509 
1 1 1 -21 11 19 f 306.4796 10.09637 2771.608       181.2276 2714.976       245.6589 2839.231       268.4430 302.4914 13.88445 309.0912 14.85209 -6.599854      20.33132 
1 1 1 -21 11 20 o 394.8808 10.05990 4599.700       232.7858 4738.940       333.7290 4467.756       324.8676 399.6304 14.26204 388.0007 14.30102 11.62976       20.19716 
1 1 1 -21 11 21 o 323.2369 9.881141 3083.198       187.0976 2883.023       256.6264 3310.325       273.3575 311.5423 14.08179 333.9016 13.99024 -22.35934      19.85003 
1 1 1 -21 11 22 o 466.7704 10.13769 6428.157       277.5191 6388.336       394.9164 6467.007       390.0710 463.6092 14.54253 466.5728 14.27200 -2.963623      20.37584 
1 1 1 -21 11 23 o 403.4944 9.783750 4803.376       231.5226 4867.941       328.5646 4739.701       326.2921 404.7303 13.86264 399.3226 13.95404 5.407745       19.66947 
1 1 1 -21 11 24 o 193.7811 12.12198 1116.724       137.0739 1135.437       180.0000 1090.891       211.4881 194.4328 15.92469 189.5099 19.29737 4.922913       25.01968 
1 1 1 -21 11 25 o 317.3469 9.716466 2977.431       180.6264 3180.667       250.7404 2758.195       260.4232 326.9299 13.10388 303.8449 14.65750 23.08499       19.66098 
1 1 1 -21 11 26 o 256.6491 9.899677 1950.043       148.7292 1857.316       203.7575 2055.791       217.5932 249.2808 13.99333 262.2267 14.20175 -12.94583      19.93748 
1 1 1 -21 11 27 o 196.6837 12.65975 1154.970       145.2551 1326.681       184.3458 873.7803       235.9031 210.1015 15.06066 166.5955 24.90807 43.50595       29.10731 
1 1 1 -21 11 28 o 109.6584 18.78125 373.6129       116.4440 291.4955       153.6609 484.3764       178.4613 95.04510 26.54961 122.7580 25.61749 -27.71290      36.89360 
1 1 1 -21 11 29 o 230.7305 12.23974 1590.230       165.0331 1717.212       212.4537 1397.026       262.0603 238.5987 15.26262 212.2706 21.33964 26.32802       26.23600 
1 1 1 -21 11 30 o 114.7756 17.94690 409.6043       116.8523 343.3535       160.7611 483.8163       170.1462 102.0722 26.59259 122.2597 24.58261 -20.18748      36.21423 
1 1 1 -21 11 31 o 191.3483 11.37293 1097.172       127.0527 1095.639       178.7619 1098.736       180.6116 189.1239 16.27490 189.3166 16.42947 -0.1926422     23.12573 
1 1 1 -21 11 32 o 218.1700 10.62311 1425.226       135.5157 1376.650       195.4980 1470.157       188.0171 211.7512 15.85739 219.5506 14.68646 -7.799377      21.61363 
1 1 1 -21 11 33 o 46.06460 19.95828 0.1685048      99.46075 90.57944       146.9364 -76.28854      135.1225 64.14034 25.70170 46.61664 21.45528 17.52370       33.47995 
1 1 1 -21 11 34 f 39.07248 18.83762 -172.8288      128.7888 -262.9105      406.0995 -162.7557      135.7987 71.97660 34.36861 41.07368 19.68299 30.90292       39.60582 
1 1 1 -21 11 35 o 65.50987 21.90107 136.6711       98.86962 243.4938       407.0107 129.9724       101.9225 92.73338 40.27488 64.50826 22.22854 28.22512       46.00189 
1 1 1 -21 11 36 o 69.00584 21.82998 157.8461       98.95416 249.8458       396.7820 151.7446       102.1829 90.87461 39.61271 67.96211 22.24758 22.91250       45.43260 
1 1 1 -21 11 37 o 123.0475 15.38250 478.4595       108.5886 -266.0733      394.8778 539.3679       112.9430 68.10258 32.87126 130.9701 14.97279 -62.86755      36.12069 
1 1 1 -21 11 38 o 115.8438 15.20906 425.6916       100.8364 414.2924       417.7075 426.3970       103.9095 96.87968 41.42267 115.6484 15.72739 -18.76867      44.30788 
1 1 1 -21 11 39 o 213.3070 14.20588 1424.669       176.7021 0.000000       0.000000 1424.669       176.7021 ?        ?        213.3070 14.20588 0.000000       14.20588 
1 1 1 -21 11 40 o 164.3841 12.33447 837.2752       118.0462 357.1171       403.9079 882.1187       123.4355 90.01270 39.58164 168.5723 12.57605 -78.55958      41.53148 
1 1 1 -21 11 41 o 58.75102 23.01369 99.26640       115.3341 131.7998       401.2217 96.33596       120.4164 78.30276 36.36494 58.83073 23.36863 19.47202       43.22617 
1 1 1 -21 11 42 o 133.3329 16.28748 579.8443       124.7218 267.4598       373.7153 618.9982       132.3073 82.37653 37.02765 137.4050 16.76513 -55.02847      40.64624 
1 1 1 -21 11 43 o 143.6582 16.06931 673.0484       133.0707 292.6087       378.9949 726.5447       142.1190 82.68309 37.21643 148.8518 16.55976 -66.16867      40.73436 
1 1 1 -21 11 44 o 33.76809 16.78898 -265.2372      129.5917 -152.2915      432.5551 -276.3746      135.8309 67.70403 33.07023 34.52079 17.16739 33.18324       37.26070 
1 1 1 -21 12 1  o 565.7171 12.77337 9448.327       423.7946 9547.753       680.4918 9385.331       541.6603 565.3120 20.55929 562.3538 16.44119 2.958130       26.32484 
1 1 1 -21 12 2  o 386.4541 15.64257 4431.167       353.8003 0.000000       0.000000 4431.167       353.8003 ?        ?        386.4541 15.64257 0.000000       15.64257 
1 1 1 -21 12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 12 4  o 614.4188 23.09906 11336.86       830.8743 0.000000       0.000000 11336.86       830.8743 ?        ?        614.4188 23.09906 0.000000       23.09906 
1 1 1 -21 12 5  f 152.2653 14.52031 692.1136       128.0981 716.3365       151.0588 630.1014       241.6974 154.4452 16.95560 141.3704 30.07676 13.07483       34.52686 
1 1 1 -21 12 6  f 325.1511 10.69021 3119.186       203.5781 3365.799       290.7332 2881.947       285.1536 336.8619 14.75185 311.4310 15.66256 25.43091       21.51588 
1 1 1 -21 12 7  o 318.1128 10.70393 2986.079       199.4141 3468.264       298.1301 2595.682       268.2576 341.8895 14.90440 295.5235 15.53234 46.36597       21.52660 
1 1 1 -21 12 8  o 48.29076 20.51862 3.603819       101.3671 -67.92133      116.4104 227.9384       206.1629 44.71625 20.32660 90.36646 31.58759 -45.65022      37.56257 
1 1 1 -21 12 9  o 103.5363 18.63354 328.7332       108.9858 319.2521       128.8363 352.5881       204.3601 101.2794 22.29539 106.0988 30.94299 -4.819405      38.13860 
1 1 1 -21 12 10 o 406.5642 10.74780 4877.011       256.0460 5017.693       388.6926 4769.167       340.3177 410.8099 16.16454 401.0336 14.49332 9.776276       21.71057 
1 1 1 -21 12 11 o 37.06186 17.49302 -110.6874      99.37488 -115.2215      117.0426 -98.97709      188.0980 41.20079 19.30096 57.15044 25.92326 -15.94965      32.31938 
1 1 1 -21 12 12 o 182.7555 12.09860 990.6979       128.9450 948.2850       160.4301 1068.098       216.7243 178.1239 15.51179 188.0195 19.95867 -9.895630      25.27774 
1 1 1 -21 12 13 o 158.8544 13.60773 752.1110       125.5555 699.8572       155.6074 849.6010       212.5453 152.3169 17.75167 166.8019 22.28399 -14.48508      28.49031 
1 1 1 -21 12 14 o 412.3001 9.661770 5008.139       233.6257 5037.498       328.3865 4978.050       332.4442 412.3481 13.59769 409.8263 13.85138 2.521820       19.41025 
1 1 1 -21 12 15 o 317.5430 9.978251 2974.473       185.5958 2999.544       249.7631 2943.560       277.3422 318.1207 13.41721 314.6943 15.07095 3.426392       20.17808 
1 1 1 -21 12 16 o 204.1928 11.75534 1235.083       140.1803 1095.977       172.7953 1502.871       239.7478 191.5724 15.51231 223.7743 18.43139 -32.20192      24.09041 
1 1 1 -21 12 17 o 82.91282 24.66150 210.9552       128.7455 73.21565       140.8167 912.5930       317.8203 64.12209 25.33410 169.2696 33.20162 -105.1476      41.76320 
1 1 1 -21 12 18 f 415.7847 10.83863 5102.844       264.0723 4642.733       387.0150 5503.679       361.2265 394.7774 16.75381 430.7758 14.31798 -35.99841      22.03848 
1 1 1 -21 12 19 o 128.7850 17.47894 502.6091       128.6129 575.3104       159.4459 367.2105       217.5953 137.1913 20.43996 108.0016 32.04550 29.18967       38.00929 
1 1 1 -21 12 20 o 81.66512 23.41991 206.3735       117.9808 269.7025       144.3051 78.70211       204.8929 92.79765 25.65648 73.96222 30.09382 18.83543       39.54609 
1 1 1 -21 12 21 o 157.3514 13.77403 739.4531       125.8303 730.8209       158.1236 754.3581       207.7792 155.5264 17.64732 156.3803 23.37119 -0.8538666     29.28550 
1 1 1 -21 12 22 o 281.1882 10.20498 2336.608       168.0115 2291.083       225.1491 2393.813       252.3847 277.5219 13.87722 283.2770 15.24771 -5.755066      20.61723 
1 1 1 -21 12 23 o 137.2467 15.82164 568.6864       125.0235 670.9519       158.6651 401.1943       203.0551 148.4605 18.63231 111.6430 30.26133 36.81751       35.53746 
1 1 1 -21 12 24 o 245.2912 10.64582 1782.544       152.7834 1839.794       201.9813 1705.977       233.5845 248.3149 13.92519 238.1352 16.83364 10.17976       21.84680 
1 1 1 -21 12 25 o 497.6823 13.73709 7378.634       400.5732 7407.220       545.7265 7345.239       589.8331 495.2647 18.82254 491.8713 20.49177 3.393402       27.82446 
1 1 1 -21 12 26 o 280.7415 10.06602 2334.214       165.4670 2243.246       228.8551 2433.858       239.5205 273.8354 14.29974 285.2356 14.36444 -11.40027      20.26868 
1 1 1 -21 12 27 o 80.77225 23.08642 206.0087       114.8307 153.8335       149.5317 281.0049       179.2752 74.63516 26.82159 93.92069 29.33776 -19.28553      39.75050 
1 1 1 -21 12 28 o 345.8982 9.696930 3544.377       196.5189 3473.568       287.8409 3606.200       268.9584 340.3249 14.45434 347.3987 13.22514 -7.073761      19.59164 
1 1 1 -21 12 29 o 97.62063 21.30992 303.9355       118.5725 399.8111       161.0457 190.4355       175.2236 110.8527 25.32730 80.92059 29.04013 29.93208       38.53312 
1 1 1 -21 12 30 o 170.7902 12.27552 876.3957       122.1369 786.8622       168.3208 975.9603       177.4997 159.4394 18.33411 178.2962 17.18757 -18.85687      25.13070 
1 1 1 -21 12 31 o 81.18480 22.11862 214.8096       108.1538 188.6338       148.2579 244.5850       158.1235 77.74444 26.80843 86.16087 27.63369 -8.416428      38.50082 
1 1 1 -21 12 32 o 137.5416 13.90522 578.9255       110.6274 549.1504       151.9058 612.5511       161.4296 130.8605 20.46295 138.3019 20.52399 -7.441345      28.98218 
1 1 1 -21 12 33 o 147.1653 12.18525 657.6404       104.2278 -542.7430      453.4620 724.5945       107.0951 68.69236 33.61825 154.6388 11.90013 -85.94640      35.66230 
1 1 1 -21 12 34 o 162.8505 12.19962 806.4790       115.6692 108.7657       452.6047 855.2327       119.6423 89.00128 40.30746 167.7004 12.24914 -78.69911      42.12757 
1 1 1 -21 12 35 o 113.6625 15.73026 406.7720       102.0509 87.57722       399.0532 429.1078       105.5610 83.79981 37.91004 116.7399 15.82535 -32.94012      41.08057 
1 1 1 -21 12 36 o 70.37177 22.50034 165.9694       104.8928 -490.0619      415.1134 210.7136       108.4109 64.25021 31.59030 78.46376 22.43347 -14.21355      38.74542 
1 1 1 -21 12 37 o 167.2838 11.47204 854.3231       111.8686 457.7017       433.1497 882.6694       115.7972 100.4945 42.54518 169.9196 11.69120 -69.42513      44.12229 
1 1 1 -21 12 38 o 77.64362 23.23222 211.7491       113.9916 437.2401       434.5312 195.0844       118.1287 97.44732 41.96613 74.64729 23.87888 22.80003       48.28413 
1 1 1 -21 12 39 o 71.43762 22.86900 178.4236       108.3332 -432.2530      420.0239 221.9430       112.1269 63.67130 31.39650 79.07108 22.87953 -15.39978      38.84859 
1 1 1 -21 12 40 o 29.86962 14.93240 -264.7108      108.6570 -418.0892      403.6565 -252.7289      112.8213 62.00880 30.61466 31.21499 15.54344 30.79381       34.33447 
1 1 1 -21 12 41 o 76.65831 22.97006 212.4923       111.3735 127.0447       389.9937 220.0797       116.2131 77.42258 35.92052 77.71107 23.50371 -0.2884903     42.92678 
1 1 1 -21 12 42 o 72.71947 23.94173 194.3080       118.2686 54.72732       358.3156 211.3739       125.2903 71.96155 33.73026 75.26572 24.63478 -3.304176      41.76844 
1 1 1 -21 12 43 o 55.95417 23.12207 75.67652       123.3575 233.7755       368.1315 55.67876       130.9270 79.56811 36.16041 54.62182 23.26781 24.94629       42.99961 
1 1 1 -21 13 1  o 171.9964 16.11052 884.7404       160.6184 871.0134       183.3365 930.0606       333.1250 170.0744 18.68813 171.0182 34.40650 -0.9438324     39.15423 
1 1 1 -21 13 2  o 677.7427 26.05810 13891.01       1033.828 0.000000       0.000000 13891.01       1033.828 ?        ?        677.7427 26.05810 0.000000       26.05810 
1 1 1 -21 13 3  o 391.1808 24.89423 4627.553       568.1561 0.000000       0.000000 4627.553       568.1561 ?        ?        391.1808 24.89423 0.000000       24.89423 
1 1 1 -21 13 4  o 378.5497 10.79038 4227.379       239.3132 3850.713       334.0529 4624.503       343.0046 360.0172 15.86020 394.9084 14.83631 -34.89127      21.71778 
1 1 1 -21 13 5  o 109.4170 18.54935 365.9174       114.7846 310.1414       133.6040 523.1265       224.3028 99.69720 23.27509 128.4879 30.26766 -28.79072      38.18194 
1 1 1 -21 13 6  o 303.5460 12.37607 2725.323       219.8599 2690.670       253.2221 2831.456       443.1509 301.1545 14.37865 305.4715 24.95329 -4.316956      28.79952 
1 1 1 -21 13 7  o 292.9018 10.57533 2532.052       181.3648 2551.205       248.0822 2510.063       265.8118 293.1888 14.47245 290.5129 15.65908 2.675934       21.32272 
1 1 1 -21 13 8  o 256.0875 10.52287 1936.323       157.7055 1945.110       207.6602 1924.349       242.4086 256.0240 13.88192 254.0692 16.35531 1.954849       21.45236 
1 1 1 -21 13 9  o 95.12788 21.07985 281.2381       114.5102 300.9504       139.7045 240.8809       199.8955 98.02875 24.39723 91.38446 31.14075 6.644287       39.55972 
1 1 1 -21 13 10 o 108.9825 17.71228 362.2603       109.3256 335.2047       128.3080 433.9472       208.8551 103.8743 21.75980 116.8961 30.23838 -13.02183      37.25384 
1 1 1 -21 13 11 o 274.5764 10.39974 2225.704       167.1670 2228.718       223.6097 2221.886       251.6940 274.0293 13.95971 273.1550 15.77848 0.8742981      21.06737 
1 1 1 -21 13 12 o 485.0495 11.42969 6943.995       325.1405 7324.094       530.4107 6715.188       411.5261 495.3358 18.28978 475.7422 14.76731 19.59357       23.50722 
1 1 1 -21 13 13 o 59.23698 23.17475 65.75359       116.8309 165.3834       125.1519 -609.6225      325.8483 75.20027 24.62164 57.73869 28.30741 17.46159       37.51712 
1 1 1 -21 13 14 o 372.4644 16.99140 4134.914       370.1853 4134.476       609.3740 4135.169       466.0338 367.1335 28.52516 370.6745 21.53017 -3.540985      35.73840 
1 1 1 -21 13 15 o 94.12250 35.78686 211.2501       272.9290 -68.80091      453.7369 370.0260       341.6472 94.14062 41.65053 113.6051 40.57558 -19.46447      58.14761 
1 1 1 -21 13 16 o 263.3664 10.83328 2049.250       166.9717 1816.637       213.5717 2414.953       267.7883 247.1243 14.80380 284.7026 16.10363 -37.57832      21.87418 
1 1 1 -21 13 17 o 473.7251 10.35596 6616.148       287.7182 6490.430       401.4999 6748.858       412.5135 467.7274 14.65475 476.9148 14.76626 -9.187378      20.80394 
1 1 1 -21 13 18 o 94.84778 24.54301 282.0342       137.5586 318.8095       155.4763 149.4988       295.1561 100.6520 26.11660 90.81783 36.41489 9.834190       44.81206 
1 1 1 -21 13 19 o 249.6639 10.94796 1843.046       159.9124 1748.928       207.8526 1979.556       250.3240 242.3861 14.69065 257.3902 16.67258 -15.00406      22.22139 
1 1 1 -21 13 20 o 186.3611 12.62416 1032.246       137.1632 1069.378       175.0557 973.1981       220.7535 188.9597 15.94500 178.6571 21.50028 10.30264       26.76761 
1 1 1 -21 13 21 o 79.35201 23.38258 194.3798       116.1793 232.5116       140.6171 112.3647       206.2252 86.57185 25.77923 77.13436 30.60019 9.437485       40.01175 
1 1 1 -21 13 22 o 150.5401 14.47623 679.6088       126.2343 724.8191       157.2627 597.7089       211.6650 154.7074 17.64787 137.3326 27.24212 17.37479       32.45890 
1 1 1 -21 13 23 o 298.4578 10.02517 2634.003       175.2299 2589.598       244.0587 2681.249       251.7449 294.7108 14.16187 299.8233 14.35850 -5.112488      20.16743 
1 1 1 -21 13 24 o 231.9880 11.03377 1596.685       149.6902 1589.400       198.5808 1606.271       227.8031 230.4040 14.77376 230.8876 16.94114 -0.4835510     22.47813 
1 1 1 -21 13 25 o 347.3326 9.931692 3569.706       202.1032 3457.327       286.2462 3681.415       285.3899 340.1441 14.38161 351.2348 13.88183 -11.09070      19.98839 
1 1 1 -21 13 26 o 80.09795 31.95787 130.4032       226.1813 -201.9649      533.3753 203.2750       249.7487 92.59109 42.61943 89.22893 34.15860 3.362160       54.61892 
1 1 1 -21 13 27 o 179.7711 12.43667 966.1221       130.3134 1000.710       176.6038 924.7801       193.0781 181.5865 16.77257 173.5606 19.29413 8.025894       25.56526 
1 1 1 -21 13 28 o 199.4404 13.97708 1196.225       162.4508 1383.945       200.2211 834.5734       277.9071 213.7476 16.09008 158.6912 30.97256 55.05632       34.90258 
1 1 1 -21 13 29 o 235.9890 10.58553 1658.326       146.1328 1675.001       205.9677 1641.424       207.3655 235.3875 14.99788 232.8816 15.26695 2.505936       21.40131 
1 1 1 -21 13 30 o 232.0736 10.11470 1605.286       137.3362 1508.839       192.1801 1705.944       196.3318 222.9411 14.78180 237.4349 14.16361 -14.49379      20.47216 
1 1 1 -21 13 31 o 144.8422 13.28881 637.9730       111.6269 641.6169       155.6758 634.1168       160.1479 142.6523 19.08613 141.4103 19.85665 1.242020       27.54209 
1 1 1 -21 13 32 o 107.7708 16.55248 364.8538       101.2800 335.2833       404.1791 366.8349       104.6177 101.1442 41.83018 107.8311 17.11388 -6.686890      45.19567 
1 1 1 -21 13 33 o 37.78634 17.73026 -87.95846      99.45436 1.311784       439.3707 -92.77943      102.1045 84.33611 38.76936 38.06803 17.89471 46.26809       42.69994 
1 1 1 -21 13 34 o 182.9323 11.13878 1011.592       118.9365 827.5159       447.0567 1025.613       123.3831 132.4807 46.49974 184.0250 11.48948 -51.54428      47.89816 
1 1 1 -21 13 35 o 182.1997 10.49317 1002.575       111.6513 954.2045       436.4709 1005.961       115.4940 140.8694 45.97192 182.3260 10.84997 -41.45659      47.23493 
1 1 1 -21 13 36 f 60.06736 22.82677 101.7301       111.0079 0.000000       0.000000 101.7301       111.0079 ?        ?        60.06736 22.82677 0.000000       22.82677 
1 1 1 -21 13 37 o 36.42202 17.31951 -104.9509      100.9548 313.7903       424.4969 -130.0545      103.9369 91.94935 40.50023 35.49983 17.06610 56.44952       43.94906 
1 1 1 -21 13 38 o 94.48790 20.50170 304.2462       110.3383 179.9915       406.0678 314.1518       114.6521 83.45817 37.94772 95.73853 20.99854 -12.28036      43.37013 
1 1 1 -21 13 39 o 200.2723 10.56195 1222.968       123.6169 1039.851       433.8594 1239.148       128.9623 135.9980 45.88220 201.2979 10.96518 -65.29996      47.17427 
1 1 1 -21 13 40 o 69.60393 23.28481 171.0783       111.7553 -227.8064      456.8660 196.4647       115.2568 69.73983 34.04776 73.85403 23.58275 -4.114197      41.41734 
1 1 1 -21 13 41 o 170.5313 12.76953 908.9620       126.7840 755.4819       423.2764 924.0892       132.8851 110.3233 43.81600 171.4925 13.31666 -61.16926      45.79493 
1 1 1 -21 13 42 o 61.49858 23.44146 122.0770       117.2881 -796.5900      395.9196 210.4548       122.8003 52.93671 26.73097 75.13341 24.37497 -22.19669      36.17574 
1 1 1 -21 13 43 o 142.5394 16.53767 668.1327       135.6853 380.2644       407.1917 704.0893       143.9101 86.27695 38.72625 145.7691 17.16203 -59.49219      42.35868 
1 1 1 -21 14 1  o 566.9575 25.04970 9711.420       830.8643 0.000000       0.000000 9711.420       830.8643 ?        ?        566.9575 25.04970 0.000000       25.04970 
1 1 1 -21 14 2  o 704.2685 26.86621 15042.53       1107.639 0.000000       0.000000 15042.53       1107.639 ?        ?        704.2685 26.86621 0.000000       26.86621 
1 1 1 -21 14 3  o 721.3304 27.39503 15803.08       1156.822 0.000000       0.000000 15803.08       1156.822 ?        ?        721.3304 27.39503 0.000000       27.39503 
1 1 1 -21 14 4  o 464.2451 15.18048 6393.886       412.7613 0.000000       0.000000 6393.886       412.7613 ?        ?        464.2451 15.18048 0.000000       15.18048 
1 1 1 -21 14 5  o 64.18696 22.74821 108.5148       107.1911 47.19741       117.5588 410.8703       261.0492 56.98864 22.93613 114.6085 35.33735 -57.61988      42.12831 
1 1 1 -21 14 6  o 288.1929 10.41849 2451.144       175.8018 2427.307       233.7328 2482.197       266.7732 286.0580 13.97434 288.8232 15.80953 -2.765259      21.10032 
1 1 1 -21 14 7  o 160.2159 12.74071 763.2502       118.7300 837.3244       142.0712 591.7141       216.1974 167.5086 14.60764 137.2623 27.81048 30.24628       31.41347 
1 1 1 -21 14 8  o 35.21102 16.69880 -111.1305      92.61490 -150.4189      107.1324 5.082260       184.2534 36.41964 17.46062 64.39220 27.52110 -27.97256      32.59270 
1 1 1 -21 14 9  o 137.1630 14.20576 562.8964       112.6229 559.4301       134.0216 571.2266       207.7648 136.1168 17.16977 134.9385 27.19398 1.178253       32.16075 
1 1 1 -21 14 10 o 374.8471 10.57872 4146.296       232.3290 4225.793       342.7600 4078.729       315.9953 377.0685 15.53281 370.7395 14.56152 6.329041       21.29099 
1 1 1 -21 14 11 o 118.0515 17.61204 423.5802       118.2111 460.3205       142.2505 341.5844       212.5094 122.4608 20.53253 104.7017 31.80760 17.75914       37.85906 
1 1 1 -21 14 12 o 69.71906 22.37319 143.1771       103.6406 149.6166       119.9270 124.1804       205.9824 72.21042 24.12045 78.71004 30.77792 -6.499626      39.10340 
1 1 1 -21 14 13 o 395.7031 10.74636 4621.263       249.1604 4853.518       379.1041 4444.649       330.5891 403.9544 16.03390 387.0116 14.59125 16.94278       21.67927 
1 1 1 -21 14 14 o 80.14027 23.28829 197.5520       115.9432 224.4355       135.8966 125.6345       222.2713 85.41455 25.32011 80.80313 31.85853 4.611420       40.69489 
1 1 1 -21 14 15 o 215.4622 11.61246 1374.338       146.1969 1287.873       182.3662 1529.847       244.5700 207.8740 15.06083 225.7411 18.63915 -17.86711      23.96344 
1 1 1 -21 14 16 o 431.6139 10.24235 5491.473       259.2660 5292.477       354.4735 5720.392       380.1910 422.4305 14.32871 439.0348 14.78674 -16.60434      20.59028 
1 1 1 -21 14 17 o 381.1604 11.33218 4292.137       253.0400 4483.021       312.2981 3927.306       431.7482 388.8850 13.71444 361.5521 20.44478 27.33292       24.61859 
1 1 1 -21 14 18 o 149.0937 15.03253 666.1241       129.6515 541.6091       158.2431 920.3994       226.1342 132.8430 21.00909 173.4207 22.78445 -40.57777      30.99215 
1 1 1 -21 14 19 o 101.8509 20.76856 322.2455       119.8469 372.6126       146.6062 220.7833       208.0802 109.0487 23.60897 89.21748 31.68702 19.83125       39.51519 
1 1 1 -21 14 20 o 448.2309 10.16477 5928.292       267.2083 5964.901       379.7260 5892.383       376.0795 447.9620 14.47268 445.2492 14.42113 2.712769       20.43104 
1 1 1 -21 14 21 o 197.7659 12.21169 1162.186       140.9465 1180.864       183.3561 1135.206       220.3648 198.4624 15.88566 193.4283 19.70012 5.034088       25.30710 
1 1 1 -21 14 22 o 52.93877 22.04634 23.51705       113.3721 90.72289       138.1528 -115.0711      198.3897 65.46128 25.31532 57.48619 26.28628 7.975086       36.49429 
1 1 1 -21 14 23 o 168.6756 13.47520 851.0782       132.1948 886.9006       168.7378 794.1523       212.7111 171.2280 17.02846 159.7770 23.39289 11.45102       28.93433 
1 1 1 -21 14 24 o 389.7744 9.955465 4494.076       227.3892 4355.580       320.7780 4633.959       322.3818 381.9334 14.34627 394.1478 13.96844 -12.21442      20.02331 
1 1 1 -21 14 25 o 152.2065 29.91959 752.3845       257.5527 968.2831       564.4718 695.6204       289.4370 160.9061 52.26394 144.0902 34.67279 16.81589       62.71938 
1 1 1 -21 14 26 o 75.22345 31.68977 58.96513       238.3872 -559.1152      547.4172 203.6076       264.8158 82.23310 39.43660 90.28923 35.01292 -8.056129      52.73661 
1 1 1 -21 14 27 o 178.3819 24.43298 1004.759       248.9001 762.6222       594.6083 1056.200       274.0668 142.8837 53.14061 181.8816 26.46922 -38.99785      59.36787 
1 1 1 -21 14 28 o 221.9662 11.37445 1469.846       147.5765 1706.976       212.0733 1247.206       205.4915 237.6498 15.29716 202.0327 17.51579 35.61714       23.25524 
1 1 1 -21 14 29 o 188.1283 11.73212 1060.678       128.7995 1200.228       185.4884 930.7411       178.9855 198.3466 16.08350 173.7359 17.81841 24.61072       24.00364 
1 1 1 -21 14 30 o 272.1961 9.935859 2208.641       158.3465 2219.916       230.1844 2198.512       218.1700 270.3781 14.57005 269.5136 13.84913 0.8645325      20.10186 
1 1 1 -21 14 31 o 44.42199 19.46728 -10.62461      96.94947 -362.6444      469.8897 5.026986       99.08133 75.77872 36.39259 46.63545 20.06108 29.14327       41.55559 
1 1 1 -21 14 32 o 102.8570 18.85831 340.1346       109.5684 71.37131       445.0276 357.4775       113.0483 88.29534 39.98009 105.4508 18.97722 -17.15546      44.25542 
1 1 1 -21 14 33 o 74.29089 21.71811 183.0079       100.5683 191.7275       447.1063 182.5432       103.2132 92.57630 41.13092 74.18185 22.08517 18.39445       46.68519 
1 1 1 -21 14 34 o 69.19561 22.77963 156.3464       107.0669 496.1508       458.5728 136.7549       110.1102 107.4972 44.51595 66.03506 23.08458 41.46211       50.14547 
1 1 1 -21 14 35 o 154.7404 15.18029 749.3893       135.9926 -214.4252      525.0084 818.7086       140.7981 79.06089 38.09598 161.9096 14.99815 -82.84872      40.94201 
1 1 1 -21 14 36 o 105.5466 17.71464 362.0986       105.7735 -235.1305      467.8929 394.2636       108.5845 73.94297 35.71273 110.4410 17.33457 -36.49805      39.69743 
1 1 1 -21 14 37 o 60.58011 22.62136 109.8976       107.9608 280.8565       405.1960 96.83365       112.0098 89.12463 39.39885 59.04471 22.80513 30.07993       45.52299 
1 1 1 -21 14 38 o 40.44371 18.68733 -57.02393      103.9543 591.7425       443.5522 -94.73070      106.9326 104.1305 43.50441 38.26560 18.08675 65.86487       47.11437 
1 1 1 -21 14 39 o 63.15479 23.58830 127.7263       117.4014 -558.6525      472.4995 172.8892       121.2023 63.91587 31.82393 70.13689 24.23676 -6.221024      40.00228 
1 1 1 -21 14 40 o 99.14618 20.73826 341.1558       116.7041 -474.4178      472.9178 394.0431       120.4286 64.94729 32.25388 107.4314 19.84470 -42.48407      37.86985 
1 1 1 -21 14 41 o 144.7315 14.99291 672.5129       125.4212 88.24706       431.3664 726.4664       131.0843 76.36883 36.16513 150.4072 15.06291 -74.03832      39.17662 
1 1 1 -21 14 42 o 44.91585 20.58332 -37.92820      122.5317 -37.00266      392.4994 -38.02814      128.9778 69.93667 33.50071 46.01067 21.09723 23.92600       39.59029 
1 1 1 -21 14 43 o 78.92535 25.06280 239.9813       130.3248 -73.51138      431.4197 271.4616       136.7118 69.67257 33.80315 83.47293 25.54254 -13.80036      42.36832 
1 1 1 -21 15 1  o 222.8548 12.62527 1471.851       164.3362 1267.270       199.8591 1898.909       288.7589 205.8917 16.69449 251.4489 19.73915 -45.55717      25.85227 
1 1 1 -21 15 2  o 521.6334 14.41341 8063.328       440.5205 8661.403       616.1679 7438.013       630.0441 538.3052 19.54978 497.7238 21.63568 40.58142       29.15985 
1 1 1 -21 15 3  o 421.5092 25.20046 5384.347       620.1243 0.000000       0.000000 5384.347       620.1243 ?        ?        421.5092 25.20046 0.000000       25.20046 
1 1 1 -21 15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 15 5  o 121.6253 19.88568 452.7807       136.9481 446.9320       143.4151 513.2798       461.2527 120.5358 21.05323 131.4977 47.12528 -10.96185      51.61425 
1 1 1 -21 15 6  o 300.6389 12.76151 2675.938       224.4960 2765.959       257.2260 2388.186       459.8884 305.2660 14.40832 278.6670 28.54234 26.59903       31.97288 
1 1 1 -21 15 7  o 243.8082 10.51973 1755.667       150.0653 1769.408       192.7404 1734.515       239.1343 244.1970 13.51071 240.9381 17.03313 3.258850       21.74090 
1 1 1 -21 15 8  o 215.0674 11.13184 1368.164       139.9303 1374.132       179.5382 1358.929       223.3386 214.9321 14.32488 212.8490 18.06167 2.083069       23.05268 
1 1 1 -21 15 9  o 269.7468 10.45447 2148.350       165.0766 2176.888       223.9598 2114.402       244.2671 270.7718 14.15228 266.4659 15.70007 4.305969       21.13715 
1 1 1 -21 15 10 o 130.3203 15.02036 509.9688       112.7026 523.2492       132.5611 475.3351       214.0722 131.4603 17.63844 122.2925 30.06304 9.167793       34.85542 
1 1 1 -21 15 11 o 202.6487 11.55336 1216.016       136.7412 1238.829       168.4481 1171.936       234.1554 204.0547 14.16357 196.8604 20.58522 7.194305       24.98716 
1 1 1 -21 15 12 o 235.9404 10.99831 1645.638       151.7687 1610.153       193.1931 1702.837       245.2789 232.7474 14.22113 238.5260 17.65895 -5.778595      22.67332 
1 1 1 -21 15 13 o 336.0048 10.92004 3333.574       214.9033 3650.626       307.1544 3029.537       300.7842 350.5923 14.97287 318.9894 16.13021 31.60297       22.00842 
1 1 1 -21 15 14 o 236.9312 29.38561 1738.863       399.5798 0.000000       0.000000 1738.863       399.5798 ?        ?        236.9312 29.38561 0.000000       29.38561 
1 1 1 -21 15 15 o 355.5129 10.67828 3730.739       222.3897 3255.475       305.1197 4269.346       324.8167 330.7718 15.77410 379.2606 14.63071 -48.48880      21.51464 
1 1 1 -21 15 16 o 555.4487 11.18563 9105.389       364.3802 8801.031       510.6433 9421.135       520.1099 544.0317 16.02199 563.0092 15.76729 -18.97742      22.47913 
1 1 1 -21 15 17 o 256.3127 10.33913 1940.568       155.1003 1704.217       196.6832 2329.246       252.2229 239.4110 14.06991 279.6503 15.43857 -40.23924      20.88808 
1 1 1 -21 15 18 o 225.5090 10.99822 1504.890       145.0190 1563.615       188.3661 1419.428       227.2347 229.2225 14.07977 217.3385 17.98835 11.88409       22.84339 
1 1 1 -21 15 19 o 330.0948 10.14659 3217.962       196.1973 3290.602       270.9764 3137.922       284.4431 332.7731 13.91529 324.6069 14.98166 8.166260       20.44713 
1 1 1 -21 15 20 o 100.5267 20.53179 314.6552       116.9519 214.9821       140.3411 541.1971       211.5779 83.71063 25.92697 130.2292 28.49573 -46.51852      38.52550 
1 1 1 -21 15 21 o 167.8565 13.41870 841.6816       130.9997 748.9311       164.9948 999.8632       215.4716 157.0228 18.25669 180.9161 20.67879 -23.89333      27.58475 
1 1 1 -21 15 22 o 64.98273 23.36755 111.5811       113.5189 18.31282       136.8237 317.5923       203.3480 56.80017 23.97260 100.0990 31.24208 -43.29878      39.37960 
1 1 1 -21 15 23 o 59.02036 23.09623 68.65982       116.0666 -36.36419      147.4116 239.9727       188.2706 53.61240 23.72894 89.21614 30.22415 -35.60374      38.42606 
1 1 1 -21 15 24 o 78.99119 23.44816 195.1080       116.4811 374.7298       148.7263 -89.87471      187.3344 108.4523 24.01691 56.87716 25.82746 51.57517       35.26853 
1 1 1 -21 15 25 o 193.5557 18.05692 1139.946       202.6096 0.000000       0.000000 1139.946       202.6096 ?        ?        193.5557 18.05692 0.000000       18.05692 
1 1 1 -21 15 26 o 302.9471 17.62881 2782.620       311.8604 2674.237       639.6526 2816.417       357.1887 278.9008 40.27093 303.2451 20.19931 -24.34430      45.05285 
1 1 1 -21 15 27 o 117.2575 19.00391 428.5178       126.2180 379.3545       164.6481 498.5858       196.5604 107.7122 26.29675 123.1129 27.87403 -15.40071      38.32076 
1 1 1 -21 15 28 o 250.3122 10.23868 1864.409       149.9888 1807.404       207.8696 1926.323       216.6341 244.6450 14.55363 252.5214 14.69121 -7.876465      20.67945 
1 1 1 -21 15 29 o 104.1692 18.21379 341.9385       107.2237 -468.8329      517.1950 378.3510       109.6051 78.50884 37.82531 109.9341 17.59292 -31.42522      41.71648 
1 1 1 -21 15 30 o 167.2230 11.75387 842.9678       114.5387 486.2742       448.2965 867.8785       118.4707 113.7569 45.12049 169.5948 11.98825 -55.83792      46.68594 
1 1 1 -21 15 31 o 156.6817 11.70267 742.2167       106.7592 276.9864       455.9992 769.1961       109.8112 99.41042 42.90219 159.4681 11.82562 -60.05766      44.50217 
1 1 1 -21 15 32 o 130.0623 14.80750 524.1509       110.9403 -463.2962      463.0415 584.2858       114.2685 71.03136 34.58933 137.6031 14.37112 -66.57172      37.45599 
1 1 1 -21 15 33 o 161.7195 11.87861 794.6863       111.8762 887.3934       512.4560 790.0466       114.6415 132.7128 49.33793 161.0784 12.22673 -28.36562      50.83035 
1 1 1 -21 15 34 o 219.8649 9.823880 1453.523       126.3547 1672.205       503.8571 1438.848       130.5256 193.7151 45.18278 218.5325 10.21250 -24.81740      46.32255 
1 1 1 -21 15 35 o 112.4154 17.25157 407.0549       110.1110 291.0953       472.8148 413.7046       113.2242 93.34102 41.82660 113.1227 17.64164 -19.78166      45.39484 
1 1 1 -21 15 36 f 92.19524 20.52627 287.6995       108.1334 607.6011       466.2813 269.5172       111.1639 108.0526 44.82998 88.58252 21.59600 19.47006       49.76057 
1 1 1 -21 15 37 o 83.76649 21.76976 244.0016       107.9140 -319.0980      451.7655 278.0762       111.1311 69.27768 33.82973 89.72944 21.41620 -20.45176      40.03879 
1 1 1 -21 15 38 o 60.34343 22.86761 110.0002       111.2171 -38.43036      425.2914 120.8960       115.2268 74.64941 35.51188 62.23572 23.34344 12.41369       42.49717 
1 1 1 -21 15 39 o 73.35155 25.28124 194.8998       131.8417 -553.2367      433.1090 271.3052       138.4104 61.07920 30.42077 85.04114 25.63512 -23.96194      39.78168 
1 1 1 -21 15 40 o 103.4212 20.88341 372.2661       122.2982 -38.94878      429.0887 408.6250       127.5904 72.90907 34.95186 108.5474 20.79921 -35.63833      40.67234 
1 1 1 -21 15 41 o 51.07349 22.09579 31.74808       121.5442 -61.52108      415.6902 40.46734       127.0985 70.56539 33.97610 52.71867 22.69994 17.84672       40.86151 
1 1 1 -21 15 42 o 51.88306 22.61841 30.46508       129.3906 -121.5099      445.7504 44.44876       135.2124 69.76907 33.96628 53.97956 23.32899 15.78952       41.20619 
1 1 1 -21 16 1  o 384.0966 12.81289 4364.638       288.2238 4065.848       351.0708 4982.428       504.8141 369.7109 16.23086 407.3550 21.20340 -37.64413      26.70253 
1 1 1 -21 16 2  o 513.5022 16.20598 7836.684       487.4431 0.000000       0.000000 7836.684       487.4431 ?        ?        513.5022 16.20598 0.000000       16.20598 
1 1 1 -21 16 3  o 592.8536 25.35690 10642.08       879.6096 0.000000       0.000000 10642.08       879.6096 ?        ?        592.8536 25.35690 0.000000       25.35690 
1 1 1 -21 16 4  o 371.6243 10.83424 4076.088       235.8789 3664.819       317.7791 4580.723       352.0068 351.1715 15.46758 392.7323 15.31217 -41.56082      21.76485 
1 1 1 -21 16 5  o 404.2268 13.60311 4839.823       322.0288 4703.300       375.8963 5216.404       624.3023 397.6649 16.15120 414.3962 25.81613 -16.73129      30.45216 
1 1 1 -21 16 6  o 163.8898 13.00757 798.9770       124.0007 799.5646       148.3726 797.6160       225.8140 163.4305 15.67178 160.8586 24.72659 2.571976       29.27472 
1 1 1 -21 16 7  o 268.2787 10.56628 2125.260       165.9237 2188.246       216.1265 2034.852       258.9361 271.6169 13.61089 261.0601 17.00480 10.55679       21.78117 
1 1 1 -21 16 8  o 352.3030 10.58612 3662.780       218.4796 3806.890       317.5510 3533.248       301.0616 357.9933 15.15906 344.9344 14.91751 13.05890       21.26803 
1 1 1 -21 16 9  o 266.4456 10.81867 2097.120       168.7053 2243.756       228.1737 1920.292       250.5661 274.9052 14.20059 253.5820 16.94544 21.32317       22.10893 
1 1 1 -21 16 10 o 64.15856 23.08929 105.6003       110.8567 142.6499       130.8235 11.24700       208.7722 72.19579 25.16742 68.80272 29.34744 3.393066       38.66098 
1 1 1 -21 16 11 o 273.1725 10.89128 2204.394       174.1385 2307.831       233.5590 2074.916       261.3090 278.7802 14.33325 263.6219 16.99189 15.15836       22.22985 
1 1 1 -21 16 12 o 54.56989 26.08475 -303.2878      235.2564 0.000000       0.000000 -303.2878      235.2564 ?        ?        54.56989 26.08475 0.000000       26.08475 
1 1 1 -21 16 13 o 472.0107 13.37467 6596.062       369.8684 6295.238       482.2659 7025.739       576.3701 459.3651 17.93550 484.1530 20.34404 -24.78790      27.12125 
1 1 1 -21 16 14 o 335.9798 25.04322 3431.931       489.9129 0.000000       0.000000 3431.931       489.9129 ?        ?        335.9798 25.04322 0.000000       25.04322 
1 1 1 -21 16 15 o 415.9082 10.91447 5107.121       265.9960 5040.594       398.5879 5160.537       357.1624 411.3768 16.55472 416.9557 14.62846 -5.578918      22.09187 
1 1 1 -21 16 16 o 306.2193 12.60083 2777.772       225.8153 2900.898       269.2004 2485.425       414.8100 312.3691 14.73612 285.3711 25.03845 26.99799       29.05301 
1 1 1 -21 16 17 o 137.0114 15.93513 565.5519       125.6587 592.0444       143.1055 476.3411       262.6059 139.7617 17.86699 121.6008 34.96208 18.16085       39.26291 
1 1 1 -21 16 18 o 234.8836 15.70259 1648.810       215.0666 2783.514       608.9041 1487.077       229.8833 295.1871 35.91029 222.4187 17.77094 72.76837       40.06688 
1 1 1 -21 16 19 o 175.1332 12.46912 912.7751       127.2344 880.3268       157.1330 974.5587       216.8239 171.2083 15.82833 178.6538 21.10070 -7.445465      26.37756 
1 1 1 -21 16 20 o 66.46085 23.70909 117.9698       116.6135 69.75780       141.3691 220.6267       206.2866 63.40773 25.27647 88.51422 31.53839 -25.10649      40.41744 
1 1 1 -21 16 21 o 85.57471 23.11052 230.9311       118.6885 345.6816       145.7821 5.337379       204.4044 104.3242 24.28346 66.89306 28.79506 37.43118       37.66751 
1 1 1 -21 16 22 o 391.7160 9.911664 4537.670       227.5199 4677.316       329.6758 4410.673       314.3916 395.9494 14.22010 384.6025 13.96142 11.34692       19.92818 
1 1 1 -21 16 23 o 150.5345 14.25521 681.6483       124.3525 482.3886       156.6342 1021.341       204.5126 123.9790 22.36477 182.8173 19.36874 -58.83821      29.58599 
1 1 1 -21 16 24 o 158.2549 14.15198 753.1849       129.9636 790.2453       169.9968 701.0572       201.6139 160.8073 18.35363 149.3030 23.82538 11.50429       30.07498 
1 1 1 -21 16 25 o 111.9925 19.63968 391.3691       124.2943 421.4392       160.6853 346.5743       196.1205 114.6182 24.63762 102.9092 30.39478 11.70900       39.12614 
1 1 1 -21 16 26 o 209.5569 12.07554 1311.951       147.7801 1253.689       200.8657 1380.698       218.1932 202.9940 17.02903 212.8156 17.64019 -9.821548      24.51865 
1 1 1 -21 16 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 16 28 o 184.4845 12.22744 1023.034       131.5492 131.1510       534.3387 1080.578       135.7267 101.0548 44.92737 189.6060 12.27161 -88.55119      46.57318 
1 1 1 -21 16 29 o 155.2554 13.94553 734.1926       125.6277 -313.4431      523.0621 798.3251       129.4158 82.44241 39.26534 162.0232 13.74917 -79.58078      41.60296 
1 1 1 -21 16 30 o 150.6362 12.89062 690.0049       112.7880 72.20306       469.3426 727.8691       116.1929 90.87389 41.11154 154.7269 12.92241 -63.85305      43.09464 
1 1 1 -21 16 31 o 139.3888 13.23881 594.3300       106.9273 546.2999       471.4759 596.9344       109.7881 114.1849 45.94081 139.5448 13.58685 -25.35990      47.90783 
1 1 1 -21 16 32 o 102.1003 22.11021 347.8748       128.5544 0.000000       0.000000 347.8748       128.5544 ?        ?        102.1003 22.11021 0.000000       22.11021 
1 1 1 -21 16 33 o 55.19858 22.09013 65.46787       108.3990 169.0384       482.2906 59.95749       111.2453 91.36202 41.46858 54.89492 22.23366 36.46710       47.05294 
1 1 1 -21 16 34 o 140.1229 13.26366 606.5295       107.7016 566.9874       473.2721 608.6891       110.6036 108.5435 45.11045 140.1808 13.62503 -31.63731      47.12318 
1 1 1 -21 16 35 f 78.90151 23.04579 216.1418       113.2835 -785.5369      465.2852 279.2610       116.7981 61.55113 30.78998 89.98849 22.25618 -28.43736      37.99158 
1 1 1 -21 16 36 o 58.22511 22.44235 93.75993       108.3135 -332.1893      450.6433 119.8756       111.5846 69.30665 33.83166 62.37904 23.05362 6.927605       40.93960 
1 1 1 -21 16 37 o 58.47517 22.68278 95.84997       111.1682 112.0965       430.2313 94.68764       115.0762 80.85520 37.58656 58.70506 22.99023 22.15015       44.06019 
1 1 1 -21 16 38 o 62.61854 23.47758 124.2617       116.5302 83.41866       410.9244 127.8334       121.5187 77.68611 36.31887 63.44576 23.93464 14.24035       43.49629 
1 1 1 -21 16 39 o 65.07987 23.60236 142.8955       116.1165 73.72350       432.9756 148.2560       120.5318 77.26357 36.48194 66.05048 24.03343 11.21309       43.68681 
1 1 1 -21 16 40 o 56.92325 23.02504 85.03255       119.1288 -8.872330      427.7771 92.92743       124.0356 73.18930 35.03601 58.37835 23.53692 14.81095       42.20793 
1 1 1 -21 16 41 o 59.63430 24.36501 97.42332       134.9844 -180.9231      424.1352 128.7940       142.3879 67.41467 32.88918 63.82163 25.39172 3.593044       41.55042 
1 1 1 -21 16 42 o 65.02302 25.30845 143.4619       138.7590 -77.79567      421.5264 170.3513       146.9491 69.29248 33.57019 68.66122 26.22234 0.6312637      42.59775 
1 1 1 -21 17 1  o 418.4457 17.06360 5213.741       417.8770 5213.741       417.8770 0.000000       0.000000 418.4457 17.06360 ?        ?        0.000000       17.06360 
1 1 1 -21 17 2  o 485.3863 25.79535 7145.891       731.6733 0.000000       0.000000 7145.891       731.6733 ?        ?        485.3863 25.79535 0.000000       25.79535 
1 1 1 -21 17 3  o 489.4359 26.02487 7270.564       744.3392 0.000000       0.000000 7270.564       744.3392 ?        ?        489.4359 26.02487 0.000000       26.02487 
1 1 1 -21 17 4  o 245.8736 11.88516 1788.851       170.8753 1567.436       206.7704 2265.770       303.4645 229.3814 15.46051 274.9930 18.93189 -45.61162      24.44267 
1 1 1 -21 17 5  o 101.8468 21.57299 322.1854       124.8428 377.6959       143.7444 151.7663       251.8617 110.1549 22.99424 86.64870 33.98869 23.50623       41.03616 
1 1 1 -21 17 6  o 335.4841 10.86215 3322.650       213.4348 3456.766       297.9916 3181.370       305.8465 341.1884 14.92835 326.9833 15.99733 14.20505       21.88082 
1 1 1 -21 17 7  o 51.41269 20.85923 34.05715       98.11072 66.19032       109.9491 -91.51865      217.3541 58.13594 22.55617 62.72351 28.21232 -4.587578      36.12085 
1 1 1 -21 17 8  o 173.6308 25.11138 927.9133       248.2925 0.000000       0.000000 927.9133       248.2925 ?        ?        173.6308 25.11138 0.000000       25.11138 
1 1 1 -21 17 9  o 89.43333 21.87738 249.3115       113.7871 296.6417       131.1692 105.3877       228.7331 97.41273 23.27803 79.72559 32.02581 17.68715       39.59191 
1 1 1 -21 17 10 o 81.98844 32.70397 119.5800       236.8067 0.000000       0.000000 119.5800       236.8067 ?        ?        81.98844 32.70397 0.000000       32.70397 
1 1 1 -21 17 11 o 131.5164 16.57117 521.7753       124.9840 404.4868       143.7879 884.2955       252.7905 114.2263 22.26412 168.9992 26.36530 -54.77296      34.50826 
1 1 1 -21 17 12 o 514.4495 11.95000 7816.068       360.5462 7609.708       555.4742 7966.302       473.9529 504.6565 18.80085 517.8466 15.62358 -13.19006      24.44521 
1 1 1 -21 17 13 o 255.2608 11.86409 1928.432       177.1249 1898.972       213.5643 1993.355       317.0346 252.7331 14.46887 256.9798 21.22480 -4.246719      25.68736 
1 1 1 -21 17 14 o 74.35639 34.75182 -311.5894      375.7668 0.000000       0.000000 -311.5894      375.7668 ?        ?        74.35639 34.75182 0.000000       34.75182 
1 1 1 -21 17 15 o 324.7495 25.18294 3216.533       475.8835 0.000000       0.000000 3216.533       475.8835 ?        ?        324.7495 25.18294 0.000000       25.18294 
1 1 1 -21 17 16 o 484.7761 11.37645 6942.784       323.4435 6308.830       479.8364 7470.706       437.8746 459.3071 17.84707 501.3257 14.90947 -42.01859      23.25532 
1 1 1 -21 17 17 o 190.7497 13.77583 1084.686       153.0723 1147.608       168.2253 781.8640       369.0491 196.0037 14.74251 153.0309 40.49638 42.97285       43.09638 
1 1 1 -21 17 18 o 203.1706 13.35971 1229.414       158.3040 1287.467       192.3166 1107.424       278.7853 207.2661 15.94358 188.8008 25.85620 18.46523       30.37666 
1 1 1 -21 17 19 o 263.9091 10.33948 2060.629       159.7211 2103.341       211.9049 2004.442       243.0427 265.7681 13.64090 258.6504 16.10194 7.117737       21.10324 
1 1 1 -21 17 20 o 133.9231 16.26941 543.7379       125.1663 576.9553       155.0730 481.6450       212.0189 136.9557 19.88752 121.8517 29.89683 15.10402       35.90730 
1 1 1 -21 17 21 o 292.3626 10.15160 2530.029       173.7990 2388.457       234.8801 2701.340       258.3741 282.7909 14.20770 300.5958 14.70059 -17.80484      20.44422 
1 1 1 -21 17 22 o 52.70964 21.96490 24.31091       112.6402 69.25620       138.4526 -63.67403      193.7150 62.59463 24.99373 59.78909 26.78361 2.805538       36.63398 
1 1 1 -21 17 23 o 172.5634 13.26383 891.8217       133.2065 777.9695       173.6295 1054.698       207.6739 159.3481 18.94988 185.6812 19.35434 -26.33304      27.08669 
1 1 1 -21 17 24 o 159.0549 14.07523 761.3829       129.9427 780.2137       166.7533 732.2699       207.3404 159.7111 18.12284 152.3619 23.99659 7.349197       30.07114 
1 1 1 -21 17 25 o 190.7857 12.21969 1088.299       136.0089 1089.883       178.5786 1086.111       209.8820 189.5538 16.21945 187.9382 19.31657 1.615585       25.22301 
1 1 1 -21 17 26 o 283.1715 18.26502 2451.595       301.7155 2354.985       632.3286 2480.074       343.3182 254.7654 43.90538 283.1043 20.82328 -28.33891      48.59312 
1 1 1 -21 17 27 o 120.4258 19.59458 456.7538       133.6370 483.4533       561.7690 455.1523       137.5867 120.1814 49.47052 119.9276 20.28421 0.2538300      53.46758 
1 1 1 -21 17 28 o 48.50133 20.97517 0.1765112      109.4466 -475.2492      518.4576 22.35127       111.9699 77.97069 37.64199 51.46563 21.70185 26.50506       43.44985 
1 1 1 -21 17 29 o 144.5004 14.26456 639.6628       119.3114 723.7170       519.5452 634.9832       122.5876 128.2571 49.22504 143.7570 14.74902 -15.49988      51.38714 
1 1 1 -21 17 30 o 70.71738 23.04172 160.7906       109.6696 -893.0684      499.7838 214.1023       112.4093 65.37910 32.58102 80.21403 22.81394 -14.83492      39.77435 
1 1 1 -21 17 31 o 98.48531 19.47915 315.5485       108.5233 345.5671       497.7945 314.0506       111.1979 102.0880 44.43688 97.98921 20.02636 4.098747       48.74107 
1 1 1 -21 17 32 o 42.70090 19.30683 -38.15920      103.3336 -33.80166      469.3223 -38.38120      105.9332 83.48450 38.95859 43.25358 19.55326 40.23092       43.59016 
1 1 1 -21 17 33 o 101.6376 19.81441 340.8351       113.8647 -152.0650      465.6486 372.1822       117.4296 77.86368 37.07422 106.4821 19.52325 -28.61845      41.90054 
1 1 1 -21 17 34 o 127.6680 15.09194 513.0981       110.8176 413.4959       446.7247 519.6293       114.3932 98.77128 42.54372 128.2378 15.52594 -29.46656      45.28822 
1 1 1 -21 17 35 o 100.4080 19.68684 336.7162       111.7844 230.8369       463.0332 343.2690       115.1916 88.93314 40.47029 101.1341 20.12912 -12.20100      45.19984 
1 1 1 -21 17 36 o 68.25894 24.11188 156.6398       120.3460 -280.7414      459.2109 188.8951       124.7046 70.60923 34.39767 73.39320 24.59754 -2.783966      42.28757 
1 1 1 -21 17 37 o 151.1293 13.62205 715.6663       119.4429 500.7222       434.2547 733.2586       124.2347 98.13087 42.10211 152.6951 14.02959 -54.56423      44.37812 
1 1 1 -21 17 38 o 180.6932 12.01041 1010.024       126.5546 344.0913       435.2577 1071.521       132.2691 88.50003 39.85478 185.9850 12.19359 -97.48499      41.67838 
1 1 1 -21 17 39 o 47.15815 21.14924 -11.78735      121.1581 -549.1005      446.9666 30.82409       125.8706 61.58459 30.70933 51.89066 22.46744 9.693928       38.05060 
1 1 1 -21 17 40 o 203.5396 12.03604 1287.485       143.0342 1000.230       457.4365 1318.615       150.5851 121.8275 46.32796 205.4858 12.55532 -83.65825      47.99913 
1 1 1 -21 17 41 o 55.50966 23.68150 58.83908       135.9833 -131.7647      465.2721 76.64098       142.1918 70.42521 34.37741 57.97384 24.45157 12.45137       42.18632 
1 1 1 -21 18 1  o 621.4525 17.89972 11505.07       651.7062 0.000000       0.000000 11505.07       651.7062 ?        ?        621.4525 17.89972 0.000000       17.89972 
1 1 1 -21 18 2  o 364.0595 13.18570 3923.551       281.0660 4119.365       350.6023 3571.375       470.1891 372.1921 16.09999 343.7977 23.46006 28.39438       28.45319 
1 1 1 -21 18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 18 4  o 655.2308 17.35316 12778.91       666.2557 11587.55       819.2673 15105.50       1144.892 620.7575 22.54109 704.3961 27.76828 -83.63861      35.76559 
1 1 1 -21 18 5  o 162.7348 15.93671 793.2224       150.1523 658.8285       174.3466 1179.160       295.4488 147.0170 20.80098 195.7065 26.41486 -48.68958      33.62180 
1 1 1 -21 18 6  o 115.4237 20.13953 409.1500       131.3751 473.8455       152.1532 219.6112       260.4313 124.0327 21.70707 93.91208 35.12098 30.12061       41.28777 
1 1 1 -21 18 7  o 37.05670 17.80308 -162.9658      112.6904 -105.1920      125.7109 -399.3228      254.2680 43.97194 20.39853 53.90638 26.10575 -9.934433      33.13020 
1 1 1 -21 18 8  o 281.7892 11.19758 2346.230       184.6858 2403.619       236.4741 2256.486       295.7179 284.5668 14.21431 274.5493 18.47320 10.01746       23.30892 
1 1 1 -21 18 9  o 277.6684 17.58025 2303.701       284.8174 0.000000       0.000000 2303.701       284.8174 ?        ?        277.6684 17.58025 0.000000       17.58025 
1 1 1 -21 18 10 o 463.1024 11.51371 6330.313       312.7107 6383.821       477.9990 6290.277       413.4663 462.6981 17.64719 460.2244 15.34007 2.473694       23.38249 
1 1 1 -21 18 11 o 453.3730 11.67367 6072.877       310.1361 6406.756       476.1292 5826.821       408.7405 463.5117 17.54682 442.7210 15.76743 20.79071       23.59031 
1 1 1 -21 18 12 o 155.9853 14.56100 727.3604       131.6674 801.3276       161.0024 578.0015       228.7856 163.2336 17.06999 134.9277 29.71665 28.30592       34.27045 
1 1 1 -21 18 13 o 371.1507 11.80657 4073.621       256.6679 3855.669       323.5252 4443.774       421.6178 360.0270 15.35753 385.2556 18.71634 -25.22858      24.21064 
1 1 1 -21 18 14 o 93.02135 41.11567 -55.19825      441.1291 0.000000       0.000000 -55.19825      441.1291 ?        ?        93.02135 41.11567 0.000000       41.11567 
1 1 1 -21 18 15 o 351.1505 10.74343 3643.739       220.9916 3524.834       309.3986 3767.581       315.7570 343.9878 15.37531 355.7301 15.16981 -11.74234      21.59915 
1 1 1 -21 18 16 o 268.7697 16.61040 2162.130       260.5455 0.000000       0.000000 2162.130       260.5455 ?        ?        268.7697 16.61040 0.000000       16.61040 
1 1 1 -21 18 17 o 472.0528 13.25507 6614.480       366.6005 6706.560       499.0810 6506.576       540.2678 472.9086 18.02766 464.6917 19.86998 8.216919       26.82932 
1 1 1 -21 18 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 18 19 o 259.4930 10.79553 1995.322       163.9346 1798.421       216.1359 2262.035       251.5503 245.0993 15.10951 274.7764 15.67474 -29.67706      21.77142 
1 1 1 -21 18 20 o 298.1214 10.38346 2631.743       181.2684 2864.020       256.8160 2401.137       255.8910 309.7343 14.17540 283.0594 15.47325 26.67487       20.98484 
1 1 1 -21 18 21 o 237.2125 11.43828 1671.989       158.6599 1886.939       213.9829 1409.523       236.4541 251.0219 14.59805 215.2625 18.92194 35.75940       23.89859 
1 1 1 -21 18 22 o 189.6821 13.08094 1075.883       144.6266 1287.823       196.3295 824.4081       213.8588 206.5342 16.34159 162.4953 23.08986 44.03891       28.28762 
1 1 1 -21 18 23 o 250.9039 10.87166 1870.051       159.5959 1995.287       219.7632 1730.298       232.1514 257.8764 14.59043 239.2596 16.64827 18.61687       22.13697 
1 1 1 -21 18 24 o 149.1299 23.63052 703.5792       199.7932 1462.911       605.0591 610.6534       211.6656 193.8066 52.11090 137.1252 27.27996 56.68147       58.81958 
1 1 1 -21 18 25 o 66.31490 24.08215 119.2508       120.9390 1097.389       581.9643 75.10267       123.6381 164.2778 53.04418 60.50964 23.79025 103.7682       58.13485 
1 1 1 -21 18 26 o 154.9698 12.99489 724.4922       117.0189 630.3434       575.8900 728.5469       119.5121 129.3579 51.19359 155.3217 13.24615 -25.96382      52.87952 
1 1 1 -21 18 27 o 58.26348 23.78803 55.70363       128.5551 -604.4487      591.3997 88.44391       131.7044 80.71613 39.25681 62.71015 24.58440 18.00598       46.31944 
1 1 1 -21 18 28 o 55.59817 21.73071 68.58840       102.6452 -860.2740      497.1817 109.9422       104.9053 66.64611 33.09302 62.21462 22.45171 4.431492       39.99034 
1 1 1 -21 18 29 o 61.32998 23.61839 94.47277       119.8881 0.000000       0.000000 94.47277       119.8881 ?        ?        61.32998 23.61839 0.000000       23.61839 
1 1 1 -21 18 30 o 107.4331 18.23101 369.4212       110.7662 830.2292       515.3806 347.1052       113.4166 131.0242 49.32106 103.5203 19.39347 27.50390       52.99693 
1 1 1 -21 18 31 o 146.6820 13.32440 660.2014       113.3744 545.5399       482.0164 666.9163       116.6469 111.6931 45.88437 147.2665 13.66149 -35.57342      47.87496 
1 1 1 -21 18 32 o 57.08230 22.33913 79.66571       108.5872 -143.2483      467.8939 92.35522       111.6352 78.75525 37.40284 59.24483 22.79733 19.51042       43.80286 
1 1 1 -21 18 33 f 82.62712 22.66084 235.3443       113.0884 27.46180       453.1548 249.1510       116.7835 82.20716 38.33568 84.88335 22.92451 -2.676193      44.66719 
1 1 1 -21 18 34 o 46.72715 20.45200 1.054343       106.7101 195.3180       436.9213 -11.26837      110.0425 87.20699 39.53793 46.13213 20.45569 41.07486       44.51610 
1 1 1 -21 18 35 o 109.8741 19.22095 400.9066       119.3487 606.3344       433.8953 384.0918       124.1371 107.5173 43.77584 106.5951 20.60254 0.9221344      48.38169 
1 1 1 -21 18 36 o 67.46626 24.54614 151.8028       125.7250 -102.8029      436.2026 174.8703       131.2969 73.57259 35.26211 71.02020 25.17586 2.552399       43.32713 
1 1 1 -21 18 37 o 66.06979 23.81754 147.2507       118.0191 83.43478       432.4772 152.3854       122.6752 78.39216 36.84323 67.00877 24.26570 11.38338       44.11630 
1 1 1 -21 18 38 o 85.46638 23.01599 264.2766       117.9208 73.34930       463.4500 277.4930       121.9338 78.28512 37.19258 87.38277 23.34814 -9.097656      43.91382 
1 1 1 -21 18 39 o 58.12267 23.50052 90.97824       124.0423 627.6645       468.4447 50.50994       128.6339 99.12011 43.12648 54.07216 23.04936 45.04795       48.89955 
1 1 1 -21 18 40 o 64.98938 24.91076 142.1237       132.9369 -273.6686      434.8534 184.9876       139.6210 65.71371 32.31438 70.93622 25.85830 -5.222504      41.38685 
1 1 1 -21 18 41 o 58.57958 24.21445 90.74852       135.3453 -444.6615      417.2526 153.7074       143.0818 60.25011 29.98350 66.47035 25.74736 -6.220242      39.52135 
1 1 1 -21 19 1  o 163.7579 16.56846 804.2985       156.9369 726.0321       169.9908 1255.980       408.3699 154.9150 19.11534 198.2417 36.46774 -43.32674      41.17392 
1 1 1 -21 19 2  o 323.4993 13.97254 3102.704       264.4684 3094.580       291.7551 3140.143       626.3140 322.6798 15.46186 317.0527 34.22465 5.627167       37.55523 
1 1 1 -21 19 3  o 267.5540 22.71440 2164.744       353.0553 0.000000       0.000000 2164.744       353.0553 ?        ?        267.5540 22.71440 0.000000       22.71440 
1 1 1 -21 19 4  o 228.6149 13.76334 1551.881       183.6804 1473.476       207.4921 1835.877       394.8981 222.2484 16.02650 244.2448 28.07841 -21.99640      32.33026 
1 1 1 -21 19 5  o 262.4661 12.37485 2039.349       189.9498 1748.974       225.7046 2744.318       351.6788 242.2319 15.97682 302.4246 19.93923 -60.19275      25.55057 
1 1 1 -21 19 6  o 162.9642 15.10793 793.8948       142.7497 634.1628       161.7938 1355.114       303.2717 144.4773 19.59962 210.4406 25.06466 -65.96330      31.81796 
1 1 1 -21 19 7  o 297.2248 11.50787 2611.240       200.2207 2774.452       260.5406 2375.825       312.9077 305.6647 14.57582 281.5251 19.06416 24.13953       23.99784 
1 1 1 -21 19 8  o 192.6244 13.07233 1102.203       146.8028 1161.638       173.8917 954.7588       273.8869 197.3495 15.13985 175.2885 27.54987 22.06100       31.43581 
1 1 1 -21 19 9  o 203.3603 22.71244 1258.404       266.2626 0.000000       0.000000 1258.404       266.2626 ?        ?        203.3603 22.71244 0.000000       22.71244 
1 1 1 -21 19 10 o 214.4435 12.03803 1362.779       150.7898 1346.608       185.2578 1394.524       259.5614 212.5589 14.95643 214.7214 20.87487 -2.162567      25.67986 
1 1 1 -21 19 11 o 163.9691 13.15977 800.6385       125.4879 961.5264       150.3170 430.6711       227.9440 179.5331 14.39679 116.1531 32.29584 63.38000       35.35942 
1 1 1 -21 19 12 o 61.26143 22.94371 87.00735       111.2274 109.3524       128.6228 20.75069       221.4839 66.95215 24.74984 71.26429 30.30680 -4.312141      39.12872 
1 1 1 -21 19 13 o 296.2427 10.71371 2593.904       185.8327 2528.939       248.5083 2676.316       279.8972 291.5255 14.58125 299.4827 15.99389 -7.957245      21.64295 
1 1 1 -21 19 14 o 133.3512 45.08031 573.2800       418.8296 0.000000       0.000000 573.2800       418.8296 ?        ?        133.3512 45.08031 0.000000       45.08031 
1 1 1 -21 19 15 o 558.7967 15.47506 9301.892       506.6620 9766.473       680.1816 8722.787       759.4028 569.3275 20.40399 535.0448 24.26405 34.28271       31.70279 
1 1 1 -21 19 16 o 244.7446 11.69079 1776.569       167.3208 1674.600       198.9697 2022.823       309.2035 236.9079 14.38830 258.2390 20.58637 -21.33107      25.11616 
1 1 1 -21 19 17 o 427.9995 22.95975 5590.606       574.2070 0.000000       0.000000 5590.606       574.2070 ?        ?        427.9995 22.95975 0.000000       22.95975 
1 1 1 -21 19 18 o 356.4980 14.84756 3795.857       309.7497 0.000000       0.000000 3795.857       309.7497 ?        ?        356.4980 14.84756 0.000000       14.84756 
1 1 1 -21 19 19 o 382.9594 10.83623 4344.654       243.1335 4666.787       375.8541 4112.858       318.8261 394.4231 16.28326 371.0228 14.68118 23.40030       21.92446 
1 1 1 -21 19 20 o 231.0237 11.44880 1586.191       154.6365 1690.831       206.8362 1453.580       232.8448 237.4525 14.92803 218.8580 18.30829 18.59447       23.62286 
1 1 1 -21 19 21 o 59.69091 23.49769 68.97646       120.7478 175.4508       151.6072 -115.7298      199.6816 77.86028 27.09598 57.28697 26.26131 20.57331       37.73392 
1 1 1 -21 19 22 o 141.5685 15.63501 608.0483       127.6521 710.8615       162.0947 440.1721       207.1280 152.2284 18.53791 115.4928 30.23210 36.73559       35.46314 
1 1 1 -21 19 23 o 160.9806 13.01421 778.0034       121.8222 2457.755       647.1734 716.2979       124.0396 263.3508 43.41350 154.1790 13.86576 109.1718       45.57402 
1 1 1 -21 19 24 o 257.6407 9.911234 1971.080       149.4796 1501.648       652.8460 1997.051       153.5590 190.6863 55.21685 259.2668 10.11841 -68.58052      56.13629 
1 1 1 -21 19 25 o 125.1247 15.96691 481.0277       114.5037 670.1390       548.0241 472.3951       117.0880 131.9551 50.57849 123.7778 16.54328 8.177277       53.21526 
1 1 1 -21 19 26 f 55.81825 22.39338 57.51062       111.6810 496.4256       560.6438 39.37429       113.9650 118.7976 49.21093 53.92207 22.24769 64.87556       54.00626 
1 1 1 -21 19 27 o 42.72036 19.33266 -44.52579      103.8815 -168.2673      522.8897 -39.44115      105.9943 86.39955 40.57671 43.66975 19.66665 42.72980       45.09154 
1 1 1 -21 19 28 o 137.9937 13.99844 583.9296       111.7236 264.0796       498.6283 600.8361       114.6383 100.6386 44.12490 139.9230 14.16469 -39.28446      46.34269 
1 1 1 -21 19 29 o 151.6353 13.46638 703.7592       118.5131 292.3686       486.7867 729.6798       122.1897 99.98486 43.72406 154.3391 13.63944 -54.35421      45.80206 
1 1 1 -21 19 30 o 43.97997 19.83229 -36.74350      108.1919 -654.7261      514.8747 -8.195510      110.6627 70.26225 34.66819 47.22614 20.74422 23.03611       40.40057 
1 1 1 -21 19 31 o 66.55825 22.94565 140.7627       108.6092 925.4638       456.2248 93.61962       111.8241 137.8128 47.04363 59.53298 22.84010 78.27980       52.29506 
1 1 1 -21 19 32 o 144.8882 13.89071 651.1436       116.5902 126.3960       461.1415 686.9775       120.5053 86.88117 39.85774 148.8042 13.97175 -61.92306      42.23564 
1 1 1 -21 19 33 o 69.97047 23.44858 164.5323       113.3269 -44.46500      431.0941 180.0477       117.4581 77.74630 36.61565 72.61819 23.85710 5.128105       43.70203 
1 1 1 -21 19 34 o 55.43033 22.28937 70.81451       110.9176 843.2896       447.4467 20.23841       114.4911 123.9071 46.09507 49.99372 21.53583 73.91341       50.87777 
1 1 1 -21 19 35 o 52.63430 22.25549 41.53642       118.2818 -474.6310      444.4009 80.89019       122.7080 64.79549 32.01497 57.81988 23.37533 6.975613       39.64043 
1 1 1 -21 19 36 o 110.8978 19.94282 416.4923       124.9378 527.8766       452.9086 407.3182       129.9812 98.87133 42.71339 108.7629 21.13913 -9.891586      47.65812 
1 1 1 -21 19 37 o 114.0708 19.20892 438.6556       123.9464 -335.8336      483.9690 493.0194       128.2227 68.70899 33.84629 121.5380 18.57779 -52.82896      38.60966 
1 1 1 -21 19 38 o 100.2433 21.49799 354.0124       122.5956 63.27148       458.1139 376.4398       127.2362 77.05268 36.71194 103.3028 21.69303 -26.25013      42.64216 
1 1 1 -21 19 39 o 125.2310 17.83383 523.3851       127.2834 294.3545       434.2399 544.9126       133.1311 83.67439 38.49333 127.3767 18.34996 -43.70228      42.64337 
1 1 1 -21 19 40 o 78.19153 25.54812 234.5734       134.7798 621.1325       448.3860 196.1772       141.3150 97.72552 42.35866 72.32885 26.06392 25.39668       49.73514 
1 1 1 -21 20 1  f 326.1760 12.96879 3150.083       247.5913 3291.729       295.3881 2815.507       453.9804 332.8557 15.17155 304.0483 25.69960 28.80740       29.84369 
1 1 1 -21 20 2  o 258.7596 14.18798 1988.447       214.4877 2124.308       229.9448 1078.609       595.0571 267.3515 14.72212 177.4041 53.07992 89.94739       55.08374 
1 1 1 -21 20 3  o 630.2178 27.58509 12101.59       1017.097 0.000000       0.000000 12101.59       1017.097 ?        ?        630.2178 27.58509 0.000000       27.58509 
1 1 1 -21 20 4  o 500.9986 12.38755 7416.078       363.9758 6826.237       513.4978 8011.659       515.9904 478.1877 18.34408 518.7484 16.98322 -40.56070      24.99870 
1 1 1 -21 20 5  o 179.7757 14.46329 963.5894       151.2066 944.9263       173.4005 1022.818       308.9054 177.4915 16.86020 180.5765 30.23653 -3.084976      34.61956 
1 1 1 -21 20 6  o 93.07830 22.53347 270.6725       121.6754 333.8887       134.3594 -17.51732      286.8752 103.4359 22.76682 77.73115 33.78542 25.70478       40.74043 
1 1 1 -21 20 7  o 57.73842 23.88829 31.76299       131.8861 74.51009       135.8589 -667.2531      549.3870 63.46722 24.94277 82.36161 39.50067 -18.89439      46.71664 
1 1 1 -21 20 8  o 65.23570 23.43167 110.1789       114.1057 122.9896       129.4456 65.53390       241.6509 69.06149 24.93758 77.75429 32.26741 -8.692795      40.78074 
1 1 1 -21 20 9  o 95.15498 21.19801 282.1687       115.2665 291.1533       131.6711 252.7007       238.4611 96.35442 23.51168 95.22382 33.91098 1.130592       41.26444 
1 1 1 -21 20 10 o 392.7147 10.87856 4555.780       250.3113 4585.956       364.1420 4528.749       344.6490 392.4087 15.85539 390.2331 15.08764 2.175568       21.88676 
1 1 1 -21 20 11 o 80.65713 22.78720 201.9355       112.5253 263.9164       132.1030 38.06951       214.7971 91.67780 24.21380 71.62578 30.12213 20.05202       38.64778 
1 1 1 -21 20 12 o 130.2986 15.06432 511.0464       112.9994 399.0919       130.4583 847.3671       226.1141 113.6659 20.31571 165.6291 23.97415 -51.96328      31.42432 
1 1 1 -21 20 13 o 414.7045 15.07488 5121.017       366.0327 0.000000       0.000000 5121.017       366.0327 ?        ?        414.7045 15.07488 0.000000       15.07488 
1 1 1 -21 20 14 o 162.7233 12.96277 789.8154       122.6862 758.5947       148.1082 858.0782       219.0031 158.7149 16.13556 166.7923 23.00006 -8.077393      28.09553 
1 1 1 -21 20 15 o 289.5150 28.37545 2617.076       475.6162 0.000000       0.000000 2617.076       475.6162 ?        ?        289.5150 28.37545 0.000000       28.37545 
1 1 1 -21 20 16 o 361.8035 18.76104 3948.698       396.7293 0.000000       0.000000 3948.698       396.7293 ?        ?        361.8035 18.76104 0.000000       18.76104 
1 1 1 -21 20 17 o 506.5352 15.27163 7667.148       453.1576 0.000000       0.000000 7667.148       453.1576 ?        ?        506.5352 15.27163 0.000000       15.27163 
1 1 1 -21 20 18 o 231.7783 12.07509 1598.251       163.5737 1596.792       197.8999 1601.396       290.6084 230.8815 14.69145 228.2952 21.97626 2.586212       26.43472 
1 1 1 -21 20 19 o 181.2094 13.39192 982.7219       141.3171 1100.587       182.3462 805.4712       223.6138 190.8792 16.44904 160.0868 24.60350 30.79247       29.59566 
1 1 1 -21 20 20 o 172.2115 13.72082 889.5973       137.4324 939.1969       178.7442 817.8754       214.9408 175.7479 17.57728 161.7001 23.33983 14.04782       29.21829 
1 1 1 -21 20 21 o 91.17429 20.66035 263.0469       107.9094 0.000000       0.000000 263.0469       107.9094 ?        ?        91.17429 20.66035 0.000000       20.66035 
1 1 1 -21 20 22 o 154.6827 14.51606 722.8793       130.1476 0.000000       0.000000 722.8793       130.1476 ?        ?        154.6827 14.51606 0.000000       14.51606 
1 1 1 -21 20 23 f 47.47540 20.82050 -17.19451      111.0769 -1166.690      642.1280 18.26274       112.7770 75.89645 37.67301 51.65214 21.78018 24.24432       43.51588 
1 1 1 -21 20 24 o 57.61765 22.31782 73.50491       107.5019 171.2299       623.0933 70.50674       109.1385 108.5976 48.38359 57.44534 22.42059 51.15230       53.32593 
1 1 1 -21 20 25 o 134.1623 15.10069 551.6920       116.7557 -218.4328      578.1754 584.4320       119.2117 90.24053 42.47034 138.1872 14.94722 -47.94665      45.02388 
1 1 1 -21 20 26 o 223.0017 11.57858 1494.606       150.9120 0.000000       0.000000 1494.606       150.9120 ?        ?        223.0017 11.57858 0.000000       11.57858 
1 1 1 -21 20 27 o 147.1574 14.95692 667.0005       127.2931 207.9750       518.9848 696.3826       131.3039 99.08743 44.15106 150.3249 15.09768 -51.23746      46.66107 
1 1 1 -21 20 28 o 138.9611 14.83198 596.7930       119.0102 -76.45966      546.1179 630.3593       121.9409 88.36169 41.48872 142.8842 14.76413 -54.52253      44.03741 
1 1 1 -21 20 29 o 43.75739 19.85012 -44.64615      110.3212 463.6988       471.3676 -74.10547      113.4728 107.5951 44.89201 42.02872 19.45640 65.56640       48.92693 
1 1 1 -21 20 30 o 164.7736 12.29467 827.8595       117.9542 853.1142       500.4781 826.3741       121.3733 129.7265 48.65146 164.4240 12.68457 -34.69746      50.27786 
1 1 1 -21 20 31 o 181.2109 11.46440 998.3026       121.2144 935.5889       451.1808 1003.181       125.8409 136.6369 46.77923 181.4114 11.89347 -44.77451      48.26750 
1 1 1 -21 20 32 o 60.27227 22.64404 104.9740       108.5202 -507.1783      461.9372 140.7318       111.6447 67.03130 33.02892 66.06935 23.23366 0.9619522      40.38208 
1 1 1 -21 20 33 o 61.61174 23.15705 112.6895       113.5190 444.7372       422.8765 86.90302       117.8445 98.99010 41.97860 58.46405 23.15140 40.52605       47.93945 
1 1 1 -21 20 34 o 53.24462 22.42678 44.68652       119.3602 -459.5375      443.3574 84.08785       123.9361 65.33614 32.22491 58.47208 23.54411 6.864067       39.90952 
1 1 1 -21 20 35 o 64.51803 24.10408 133.2285       122.6085 805.7177       446.2262 78.31137       127.5165 116.8685 45.41390 57.83369 23.66151 59.03480       51.20829 
1 1 1 -21 20 36 o 181.4788 12.49118 1022.696       132.1365 164.4990       488.0588 1090.577       137.2629 82.59509 38.91792 187.3671 12.56397 -104.7720      40.89569 
1 1 1 -21 20 37 o 45.33673 20.62636 -31.89833      120.1907 -207.6285      463.4254 -19.22563      124.4490 70.21362 34.28173 47.13892 21.26227 23.07470       40.34007 
1 1 1 -21 20 38 o 106.1447 22.59106 404.5818       136.3116 276.0674       439.7748 418.2409       143.3727 83.27184 38.46217 107.1934 23.45892 -23.92151      45.05174 
1 1 1 -21 20 39 o 131.4918 19.06733 586.7421       142.7564 -194.1828      420.3357 688.5623       151.7779 66.87499 32.65109 143.0852 18.52096 -76.21017      37.53824 
1 1 1 -21 21 1  o 183.4594 14.20908 1003.004       151.6912 910.4611       165.9357 1473.655       374.2111 174.2570 16.43071 217.3662 30.16646 -43.10915      34.35089 
1 1 1 -21 21 2  o 650.4590 27.81345 12924.69       1058.575 0.000000       0.000000 12924.69       1058.575 ?        ?        650.4590 27.81345 0.000000       27.81345 
1 1 1 -21 21 3  o 462.8955 27.72566 6555.774       749.2393 0.000000       0.000000 6555.774       749.2393 ?        ?        462.8955 27.72566 0.000000       27.72566 
1 1 1 -21 21 4  o 342.8223 12.11489 3477.274       243.1956 3536.770       301.4660 3366.400       411.5351 344.9529 14.93683 334.2988 21.09806 10.65408       25.85028 
1 1 1 -21 21 5  o 309.8300 11.77755 2839.830       213.6178 2597.789       251.3691 3469.034       405.2874 295.6255 14.54301 339.5963 20.44398 -43.97070      25.08895 
1 1 1 -21 21 6  o 142.1223 15.15743 606.2487       124.3917 595.6849       140.1099 645.5652       270.2993 140.3566 17.39291 141.5764 33.14256 -1.219803      37.42917 
1 1 1 -21 21 7  o 171.1087 13.11105 871.7332       130.5687 852.2809       150.6194 930.5529       261.9131 168.6948 15.39342 172.9581 26.67742 -4.263306      30.80004 
1 1 1 -21 21 8  o 81.38729 22.54439 206.0328       111.3035 208.9986       125.1520 194.8122       243.4281 82.27959 24.27489 89.44515 33.84612 -7.165565      41.65129 
1 1 1 -21 21 9  o 105.4237 45.36184 77.66481       506.8543 0.000000       0.000000 77.66481       506.8543 ?        ?        105.4237 45.36184 0.000000       45.36184 
1 1 1 -21 21 10 o 206.9709 11.89009 1270.979       143.7187 1405.967       178.9569 1025.767       241.1971 217.2130 14.12452 182.8261 23.00288 34.38687       26.99323 
1 1 1 -21 21 11 o 162.5968 12.70733 787.7291       120.2143 793.4465       141.9113 773.2014       226.2132 162.6775 15.04478 157.4927 25.35137 5.184845       29.47943 
1 1 1 -21 21 12 o 213.6762 12.41472 1356.809       154.9063 1375.698       183.5266 1310.014       288.8650 214.6058 14.66988 206.1245 24.36593 8.481247       28.44123 
1 1 1 -21 21 13 o 295.0299 10.92700 2577.088       188.7411 2587.623       253.6190 2564.010       282.5608 294.4875 14.73145 292.4837 16.53991 2.003815       22.14914 
1 1 1 -21 21 14 f 570.0370 21.90909 9876.880       731.0864 0.000000       0.000000 9876.880       731.0864 ?        ?        570.0370 21.90909 0.000000       21.90909 
1 1 1 -21 21 15 f 226.1714 13.65239 1526.638       180.2479 1676.087       197.5547 784.0447       440.3690 236.8270 14.28995 149.7847 45.84430 87.04231       48.01981 
1 1 1 -21 21 16 o 203.2245 11.20337 1226.805       133.0123 1052.844       164.3436 1557.161       226.4734 187.2141 15.09590 227.1966 17.12272 -39.98248      22.82704 
1 1 1 -21 21 17 o 258.8335 11.64369 1990.608       176.2983 1879.599       218.1279 2199.732       299.3881 250.4442 14.91840 269.2183 19.08553 -18.77412      24.22429 
1 1 1 -21 21 18 o 243.6762 11.13257 1763.448       158.6756 1825.491       215.0559 1689.313       235.0812 246.7050 14.93350 236.4823 17.06473 10.22273       22.67629 
1 1 1 -21 21 19 o 291.8927 9.088801 2519.591       155.3999 0.000000       0.000000 2519.591       155.3999 ?        ?        291.8927 9.088801 0.000000       9.088801 
1 1 1 -21 21 20 o 144.7525 15.48162 635.4211       129.3911 0.000000       0.000000 635.4211       129.3911 ?        ?        144.7525 15.48162 0.000000       15.48162 
1 1 1 -21 21 21 o 246.1501 10.66307 1801.396       153.5683 0.000000       0.000000 1801.396       153.5683 ?        ?        246.1501 10.66307 0.000000       10.66307 
1 1 1 -21 21 22 o 161.3263 13.46947 784.2707       126.2782 0.000000       0.000000 784.2707       126.2782 ?        ?        161.3263 13.46947 0.000000       13.46947 
1 1 1 -21 21 23 o 106.8872 19.85666 361.8960       119.8940 0.000000       0.000000 361.8960       119.8940 ?        ?        106.8872 19.85666 0.000000       19.85666 
1 1 1 -21 21 24 o 242.3278 9.700245 1748.719       137.5809 1299.617       608.0889 1772.948       141.2434 170.1947 54.14847 243.9285 9.893666 -73.73383      55.04490 
1 1 1 -21 21 25 o 160.1577 12.02063 774.2838       112.0844 509.7029       569.5656 784.9428       114.3198 117.0290 49.12315 161.2002 12.18237 -44.17123      50.61121 
1 1 1 -21 21 26 o 62.89226 22.38222 115.8169       103.8664 -198.4136      484.9881 130.9221       106.3335 81.68266 38.58137 65.60876 22.70006 16.07391       44.76399 
1 1 1 -21 21 27 o 101.4919 20.18750 335.5041       115.9311 150.3890       510.6584 345.5633       119.0393 94.90832 42.91502 102.9167 20.44299 -8.008423      47.53540 
1 1 1 -21 21 28 o 54.06841 23.22983 19.85245       132.5443 -200.6557      532.7551 34.40170       136.8471 82.86066 39.51007 56.22365 23.86302 26.63701       46.15723 
1 1 1 -21 21 29 o 147.4123 14.19633 671.5693       121.2166 342.5956       474.0398 694.5850       125.3852 99.68287 43.37716 149.8002 14.45112 -50.11735      45.72103 
1 1 1 -21 21 30 o 44.40415 20.15928 -42.61847      114.0566 -265.0818      459.9394 -28.04170      117.7340 74.14046 35.70789 46.41642 20.82992 27.72405       41.33932 
1 1 1 -21 21 31 o 142.4552 14.14795 632.2072       116.6409 692.0270       435.8712 627.5928       121.0560 116.6779 45.00748 141.5450 14.80136 -24.86717      47.37883 
1 1 1 -21 21 32 o 78.14438 22.68846 211.8193       110.0909 -378.5379      461.1810 247.4937       113.3684 69.48946 33.98607 84.43748 22.49147 -14.94802      40.75438 
1 1 1 -21 21 33 o 129.3285 16.20864 535.4133       120.2467 935.5804       435.5993 502.4040       125.1080 131.3744 45.91550 124.2892 17.65978 7.085251       49.19452 
1 1 1 -21 21 34 o 52.98122 22.65781 36.66989       125.0248 454.1349       480.1951 6.312638       129.4908 95.91906 42.62035 50.69323 22.34696 45.22583       48.12360 
1 1 1 -21 21 35 o 78.12982 24.82334 223.4965       127.8320 248.2622       469.1797 221.5106       132.8584 85.54755 39.58865 77.63184 25.36537 7.915710       47.01768 
1 1 1 -21 21 36 o 78.27194 24.24627 224.8023       122.7303 -353.4668      450.2833 271.2097       127.5600 66.22243 32.62636 85.78244 24.27094 -19.56001      40.66396 
1 1 1 -21 21 37 o 71.50686 25.15895 186.4911       130.9268 104.3953       446.4740 194.2150       136.9474 77.62881 36.77100 72.62137 25.71492 5.007446       44.87052 
1 1 1 -21 21 38 o 234.1250 13.51673 1727.943       184.8076 0.000000       0.000000 1727.943       184.8076 ?        ?        234.1250 13.51673 0.000000       13.51673 
1 1 1 -21 21 39 o 55.16622 24.03851 44.60543       146.0032 -377.3545      446.8665 95.03294       154.4813 63.60198 31.54564 60.77758 25.55169 2.824406       40.59577 
1 1 1 -21 22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 22 2  o 416.9744 13.93731 5160.240       340.3519 4911.413       386.7711 6014.222       716.5216 405.8991 16.28049 442.5503 27.74643 -36.65125      32.17015 
1 1 1 -21 22 3  o 132.8009 16.10819 532.1324       122.8961 526.2317       136.3647 557.6549       283.6025 131.5588 18.15752 130.9294 35.87684 0.6294556      40.20999 
1 1 1 -21 22 4  o 111.6072 20.19847 384.5900       127.3433 375.5783       139.0953 431.2614       316.5439 109.7327 22.37300 117.6123 39.18496 -7.879601      45.12219 
1 1 1 -21 22 5  o 273.9769 10.96450 2220.135       175.8228 1949.707       209.7101 2860.019       322.5856 256.0117 14.02072 308.9291 17.88115 -52.91742      22.72259 
1 1 1 -21 22 6  o 262.9427 11.12639 2045.960       171.1919 2136.522       212.6737 1879.281       288.5217 268.1242 13.56880 249.4940 19.88259 18.63017       24.07135 
1 1 1 -21 22 7  o 315.4019 17.34426 2978.875       319.5919 0.000000       0.000000 2978.875       319.5919 ?        ?        315.4019 17.34426 0.000000       17.34426 
1 1 1 -21 22 8  o 116.4431 17.13123 412.9990       113.4976 498.4719       129.3110 126.2429       236.8524 127.9962 17.69930 82.00336 32.70805 45.99280       37.18981 
1 1 1 -21 22 9  o 258.9973 11.04114 1986.007       167.3255 1975.584       212.4922 2003.019       271.4615 257.5359 14.12278 258.0670 18.04978 -0.5310974     22.91828 
1 1 1 -21 22 10 o 296.8490 10.68314 2607.175       185.6848 2903.142       255.4432 2275.559       270.3896 312.2938 13.98245 275.4709 16.81659 36.82297       21.87022 
1 1 1 -21 22 11 o 90.52392 41.05364 -150.2321      471.4764 0.000000       0.000000 -150.2321      471.4764 ?        ?        90.52392 41.05364 0.000000       41.05364 
1 1 1 -21 22 12 o 245.0045 12.12252 1783.416       173.6468 1610.253       204.1003 2237.307       330.4388 231.9391 15.08628 271.1579 20.94083 -39.21886      25.80919 
1 1 1 -21 22 13 o 430.3348 11.39371 5487.727       287.3029 5478.923       421.6212 5495.358       392.5500 427.3509 16.85543 428.6629 15.64074 -1.311981      22.99431 
1 1 1 -21 22 14 o 104.6610 44.61245 142.8379       481.8651 0.000000       0.000000 142.8379       481.8651 ?        ?        104.6610 44.61245 0.000000       44.61245 
1 1 1 -21 22 15 f 79.92228 37.51491 -335.3209      445.9361 0.000000       0.000000 -335.3209      445.9361 ?        ?        79.92228 37.51491 0.000000       37.51491 
1 1 1 -21 22 16 o 84.21599 22.15497 224.4219       110.8758 339.7273       127.2302 -139.5928      226.0607 103.8313 21.59797 60.29910 27.75213 43.53221       35.16608 
1 1 1 -21 22 17 o 147.7407 13.02765 654.4661       111.7247 0.000000       0.000000 654.4661       111.7247 ?        ?        147.7407 13.02765 0.000000       13.02765 
1 1 1 -21 22 18 o 90.10811 21.98013 258.2327       115.1051 0.000000       0.000000 258.2327       115.1051 ?        ?        90.10811 21.98013 0.000000       21.98013 
1 1 1 -21 22 19 o 406.5370 9.573740 4891.167       228.2613 0.000000       0.000000 4891.167       228.2613 ?        ?        406.5370 9.573740 0.000000       9.573740 
1 1 1 -21 22 20 o 107.5903 19.91038 363.9299       121.0068 0.000000       0.000000 363.9299       121.0068 ?        ?        107.5903 19.91038 0.000000       19.91038 
1 1 1 -21 22 21 o 34.69853 17.03541 -230.4922      119.3070 0.000000       0.000000 -230.4922      119.3070 ?        ?        34.69853 17.03541 0.000000       17.03541 
1 1 1 -21 22 22 o 76.18719 24.29076 183.4460       122.3180 0.000000       0.000000 183.4460       122.3180 ?        ?        76.18719 24.29076 0.000000       24.29076 
1 1 1 -21 22 23 o 57.71613 23.52481 55.16648       125.4685 0.000000       0.000000 55.16648       125.4685 ?        ?        57.71613 23.52481 0.000000       23.52481 
1 1 1 -21 22 24 o 141.0739 13.61185 606.7940       111.2228 0.000000       0.000000 606.7940       111.2228 ?        ?        141.0739 13.61185 0.000000       13.61185 
1 1 1 -21 22 25 o 182.7918 11.07834 1005.298       118.2056 0.000000       0.000000 1005.298       118.2056 ?        ?        182.7918 11.07834 0.000000       11.07834 
1 1 1 -21 22 26 o 190.2362 11.32878 1091.742       125.8217 328.0573       582.8358 1129.072       128.8602 104.8004 46.73649 193.4332 11.40960 -88.63284      48.10902 
1 1 1 -21 22 27 o 91.80522 25.30470 290.2683       140.6151 -420.3470      510.7278 348.5530       146.2681 75.51591 36.67094 100.8298 24.88776 -25.31386      44.31883 
1 1 1 -21 22 28 o 264.2528 9.604914 2092.856       148.6074 1640.131       553.1931 2128.068       154.2784 186.1629 49.72647 266.2931 9.895801 -80.13017      50.70156 
1 1 1 -21 22 29 f 96.43295 21.63795 313.3652       119.3592 24.08759       507.5146 330.3023       122.8037 86.11828 40.29392 99.00804 21.74517 -12.88976      45.78704 
1 1 1 -21 22 30 o 63.74969 23.41050 123.9953       114.7593 -43.12042      457.8471 135.1983       118.5435 79.83001 37.63929 65.70306 23.84497 14.12695       44.55669 
1 1 1 -21 22 31 o 93.96560 21.45209 301.3222       115.6105 168.4962       507.7878 308.5837       118.7287 88.45814 41.02233 94.91874 21.78967 -6.460602      46.45020 
1 1 1 -21 22 32 o 99.32433 21.15238 336.7318       119.4368 -400.2405      468.1224 388.0465       123.5250 68.78645 33.76560 107.3473 20.36551 -38.56084      39.43184 
1 1 1 -21 22 33 o 124.5940 18.37798 511.4240       130.2632 28.70937       446.6952 556.2892       136.1823 78.54626 37.07785 130.0222 18.36997 -51.47589      41.37901 
1 1 1 -21 22 34 o 80.92713 25.16693 241.1487       132.0826 -211.7540      471.1559 279.7777       137.6001 71.63384 34.88459 86.83331 25.40927 -15.19947      43.15746 
1 1 1 -21 22 35 o 41.55659 19.76233 -116.9109      131.4822 -300.1141      435.3532 -98.52354      137.9226 66.71729 32.71152 43.84836 20.66939 22.86893       38.69454 
1 1 1 -21 22 36 o 55.23973 23.64258 51.25665       136.3268 362.1135       425.4619 15.68950       143.9146 87.80455 39.48441 52.93972 23.43778 34.86483       45.91675 
1 1 1 -21 22 37 o 120.3408 21.87988 511.7767       148.7351 145.8807       414.7135 565.7879       159.3350 77.55916 36.33275 126.2049 22.34467 -48.64573      42.65387 
1 1 1 -21 22 38 o 95.44501 25.70623 350.3671       147.0880 509.4485       445.9938 330.9527       155.8050 92.39162 41.06251 91.34887 27.11948 1.042755       49.20971 
1 1 1 -21 23 1  f 532.0023 22.04774 8563.122       686.4136 0.000000       0.000000 8563.122       686.4136 ?        ?        532.0023 22.04774 0.000000       22.04774 
1 1 1 -21 23 2  o 324.6056 13.28580 3128.875       252.3919 3010.385       270.0518 3946.976       709.5913 318.0038 14.51816 352.5007 34.77652 -34.49692      37.68532 
1 1 1 -21 23 3  o 159.8006 14.15526 763.9395       131.2914 601.0951       146.7602 1416.563       293.8008 140.6171 18.22412 214.8651 23.70882 -74.24805      29.90362 
1 1 1 -21 23 4  o 257.6513 20.87619 2012.612       312.7528 0.000000       0.000000 2012.612       312.7528 ?        ?        257.6513 20.87619 0.000000       20.87619 
1 1 1 -21 23 5  o 373.9507 11.24738 4137.999       246.3896 4063.183       330.0966 4232.120       370.2440 369.1450 15.28036 376.0952 16.82833 -6.950165      22.73064 
1 1 1 -21 23 6  o 122.7185 15.76078 455.8664       110.8170 466.3929       124.3693 415.3087       244.1226 123.6751 17.64654 113.5451 34.00397 10.13006       38.31019 
1 1 1 -21 23 7  o 195.9394 11.98925 1141.012       137.1135 1141.248       160.4563 1140.374       263.9766 195.4661 14.09158 192.1649 23.94068 3.301193       27.78001 
1 1 1 -21 23 8  o 144.9836 14.40515 631.2610       120.8679 618.4959       137.9663 673.3981       250.6654 142.8993 16.78184 144.5041 30.53528 -1.604813      34.84298 
1 1 1 -21 23 9  o 194.1982 11.89595 1121.290       134.8361 1179.805       164.1726 1000.012       236.3527 198.6544 14.18466 179.9981 22.90764 18.65631       26.94374 
1 1 1 -21 23 10 o 45.02265 19.94715 -30.43257      104.4250 -35.37184      118.5250 -13.29911      220.7503 47.78901 21.20780 67.93179 29.58021 -20.14279      36.39725 
1 1 1 -21 23 11 o 76.56821 23.48817 180.4440       115.5135 89.96416       133.5425 449.3188       230.2071 64.58039 24.91211 117.1756 32.40866 -52.59519      40.87706 
1 1 1 -21 23 12 o 294.7528 10.99281 2575.521       189.6949 2671.962       253.1211 2451.961       286.5087 299.0507 14.47521 285.3539 17.19984 13.69681       22.48035 
1 1 1 -21 23 13 o 97.17110 42.52945 35.62945       461.4061 0.000000       0.000000 35.62945       461.4061 ?        ?        97.17110 42.52945 0.000000       42.52945 
1 1 1 -21 23 14 o 271.4135 32.76489 2379.834       511.0026 0.000000       0.000000 2379.834       511.0026 ?        ?        271.4135 32.76489 0.000000       32.76489 
1 1 1 -21 23 15 o 175.9820 12.48668 924.9587       128.0371 0.000000       0.000000 924.9587       128.0371 ?        ?        175.9820 12.48668 0.000000       12.48668 
1 1 1 -21 23 16 o 92.06042 21.09335 268.2302       111.4382 0.000000       0.000000 268.2302       111.4382 ?        ?        92.06042 21.09335 0.000000       21.09335 
1 1 1 -21 23 17 o 280.1010 15.72181 2362.976       257.2296 0.000000       0.000000 2362.976       257.2296 ?        ?        280.1010 15.72181 0.000000       15.72181 
1 1 1 -21 23 18 o 278.8776 9.845084 2306.492       160.7688 0.000000       0.000000 2306.492       160.7688 ?        ?        278.8776 9.845084 0.000000       9.845084 
1 1 1 -21 23 19 o 161.4053 13.81846 785.6707       129.5488 0.000000       0.000000 785.6707       129.5488 ?        ?        161.4053 13.81846 0.000000       13.81846 
1 1 1 -21 23 20 o 77.60851 24.40352 190.3716       123.8354 0.000000       0.000000 190.3716       123.8354 ?        ?        77.60851 24.40352 0.000000       24.40352 
1 1 1 -21 23 21 o 276.0750 9.330402 2264.631       150.8528 0.000000       0.000000 2264.631       150.8528 ?        ?        276.0750 9.330402 0.000000       9.330402 
1 1 1 -21 23 22 o 39.85707 18.59131 -88.22163      106.6859 0.000000       0.000000 -88.22163      106.6859 ?        ?        39.85707 18.59131 0.000000       18.59131 
1 1 1 -21 23 23 o 115.8362 18.05198 423.4628       118.6408 0.000000       0.000000 423.4628       118.6408 ?        ?        115.8362 18.05198 0.000000       18.05198 
1 1 1 -21 23 24 o 122.0956 16.42088 465.8126       114.6053 0.000000       0.000000 465.8126       114.6053 ?        ?        122.0956 16.42088 0.000000       16.42088 
1 1 1 -21 23 25 o 110.7466 18.54218 392.3763       116.1782 0.000000       0.000000 392.3763       116.1782 ?        ?        110.7466 18.54218 0.000000       18.54218 
1 1 1 -21 23 26 o 182.5925 14.40761 1025.985       153.0363 0.000000       0.000000 1025.985       153.0363 ?        ?        182.5925 14.40761 0.000000       14.40761 
1 1 1 -21 23 27 o 79.99354 23.19607 216.8003       115.1380 -1074.456      535.4565 279.3984       117.8959 63.94439 32.13324 91.01363 22.27184 -27.06925      39.09706 
1 1 1 -21 23 28 o 122.7851 19.92668 493.5528       138.5784 351.0270       501.8463 505.3177       144.1846 98.92661 43.78379 123.8595 20.57027 -24.93291      48.37517 
1 1 1 -21 23 29 o 125.4140 16.91999 502.9438       121.2787 277.2818       496.6429 517.2538       125.0650 93.61623 42.32723 127.0196 17.23265 -33.40340      45.70075 
1 1 1 -21 23 30 o 151.9632 13.99308 719.0725       123.3109 970.5019       475.6619 700.9576       127.6758 133.0031 47.83234 149.5476 14.74900 -16.54454      50.05463 
1 1 1 -21 23 31 o 245.6731 10.04823 1825.638       144.4708 899.9475       531.1574 1899.591       150.1308 120.9832 48.73176 250.4583 10.24239 -129.4751      49.79649 
1 1 1 -21 23 32 o 57.32690 23.31854 76.71236       122.9780 -1113.995      482.7989 159.3277       127.1727 56.65683 28.71232 68.76196 24.73215 -12.10513      37.89560 
1 1 1 -21 23 33 o 49.67575 22.10018 -3.513839      129.5214 -411.8521      465.3333 30.77844       134.8504 66.79652 32.95816 53.63850 23.23956 13.15802       40.32762 
1 1 1 -21 23 34 o 102.3841 23.68825 378.3463       139.4128 342.6248       501.6706 381.3358       145.1293 88.94590 41.08181 102.0776 24.54511 -13.13172      47.85580 
1 1 1 -21 23 35 o 145.6155 17.70102 700.0031       148.0653 -120.5518      447.3847 800.9363       156.9078 71.46352 34.61307 156.0941 17.43740 -84.63055      38.75729 
1 1 1 -21 23 36 o 61.05455 26.08376 83.17153       165.3863 -393.3201      421.8756 169.6988       179.7767 62.53329 30.95086 70.34697 28.34552 -7.813679      41.96933 
1 1 1 -21 23 37 o 83.69963 26.80988 275.2961       148.8711 30.78927       475.5650 301.8594       156.7493 75.35590 36.29735 87.03304 27.46768 -11.67714      45.51891 
1 1 1 -21 24 1  o 181.3734 14.11728 983.7691       148.9854 983.7691       148.9854 0.000000       0.000000 181.3734 14.11728 ?        ?        0.000000       14.11728 
1 1 1 -21 24 2  o 376.6364 34.60195 4538.146       755.7822 0.000000       0.000000 4538.146       755.7822 ?        ?        376.6364 34.60195 0.000000       34.60195 
1 1 1 -21 24 3  o 259.5867 11.17712 1997.108       169.7633 1852.471       198.2114 2395.302       328.8798 249.3522 13.60547 281.1544 20.07749 -31.80228      24.25313 
1 1 1 -21 24 4  o 80.75867 22.27505 204.2868       108.9183 258.3755       116.3582 -178.5610      309.5683 90.55176 22.10625 70.79333 32.54330 19.75843       39.34148 
1 1 1 -21 24 5  o 159.7370 13.81815 764.0044       128.1793 743.8365       145.1379 835.4934       273.2563 157.0534 15.97964 161.4746 29.95737 -4.421143      33.95280 
1 1 1 -21 24 6  o 59.83047 21.72343 91.55601       98.40250 85.73940       107.0971 123.0786       249.3183 60.16864 22.51794 82.60641 33.34684 -22.43778      40.23766 
1 1 1 -21 24 7  o 329.7021 10.98934 3220.022       212.1956 3358.072       283.4273 3043.953       320.0854 335.4867 14.43889 318.2254 17.21473 17.26123       22.46839 
1 1 1 -21 24 8  o 92.41528 20.19766 267.6748       106.4060 199.2173       118.8750 543.6039       238.6595 79.96790 23.67523 128.8543 31.78225 -48.88638      39.63115 
1 1 1 -21 24 9  f 49.87628 21.11550 10.07831       106.6936 39.52856       122.3043 -83.70193      218.2493 56.43855 23.14115 62.58435 28.19955 -6.145798      36.47913 
1 1 1 -21 24 10 o 201.0778 11.46957 1201.968       134.6967 1275.929       162.9870 1042.629       239.2286 206.6534 13.52236 183.5703 22.70429 23.08310       26.42611 
1 1 1 -21 24 11 o 155.0656 48.95758 868.2054       497.9241 0.000000       0.000000 868.2054       497.9241 ?        ?        155.0656 48.95758 0.000000       48.95758 
1 1 1 -21 24 12 o 54.57586 22.15252 42.51852       110.7114 0.000000       0.000000 42.51852       110.7114 ?        ?        54.57586 22.15252 0.000000       22.15252 
1 1 1 -21 24 13 o 56.08089 22.46057 52.38039       112.1540 0.000000       0.000000 52.38039       112.1540 ?        ?        56.08089 22.46057 0.000000       22.46057 
1 1 1 -21 24 14 o 178.8900 12.39200 955.9279       129.2068 0.000000       0.000000 955.9279       129.2068 ?        ?        178.8900 12.39200 0.000000       12.39200 
1 1 1 -21 24 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 24 16 o 168.5332 14.59842 857.0239       142.8703 0.000000       0.000000 857.0239       142.8703 ?        ?        168.5332 14.59842 0.000000       14.59842 
1 1 1 -21 24 17 o 159.7851 13.59866 769.0256       126.2237 0.000000       0.000000 769.0256       126.2237 ?        ?        159.7851 13.59866 0.000000       13.59866 
1 1 1 -21 24 18 o 50.25394 21.76513 -4.193443      118.1941 0.000000       0.000000 -4.193443      118.1941 ?        ?        50.25394 21.76513 0.000000       21.76513 
1 1 1 -21 24 19 o 50.57919 21.52660 12.21857       111.8909 0.000000       0.000000 12.21857       111.8909 ?        ?        50.57919 21.52660 0.000000       21.52660 
1 1 1 -21 24 20 o 275.8160 10.41350 2269.229       168.1458 0.000000       0.000000 2269.229       168.1458 ?        ?        275.8160 10.41350 0.000000       10.41350 
1 1 1 -21 24 21 o 39.55610 18.71900 -120.0012      115.1819 0.000000       0.000000 -120.0012      115.1819 ?        ?        39.55610 18.71900 0.000000       18.71900 
1 1 1 -21 24 22 o 105.5884 19.69847 358.2538       117.4972 0.000000       0.000000 358.2538       117.4972 ?        ?        105.5884 19.69847 0.000000       19.69847 
1 1 1 -21 24 23 o 94.91257 21.07081 295.6055       114.2297 0.000000       0.000000 295.6055       114.2297 ?        ?        94.91257 21.07081 0.000000       21.07081 
1 1 1 -21 24 24 o 61.19766 22.95765 101.8616       111.4587 0.000000       0.000000 101.8616       111.4587 ?        ?        61.19766 22.95765 0.000000       22.95765 
1 1 1 -21 24 25 o 84.15116 24.70069 241.5056       129.8596 0.000000       0.000000 241.5056       129.8596 ?        ?        84.15116 24.70069 0.000000       24.70069 
1 1 1 -21 24 26 o 93.08649 21.34312 289.5404       114.0275 0.000000       0.000000 289.5404       114.0275 ?        ?        93.08649 21.34312 0.000000       21.34312 
1 1 1 -21 24 27 o 91.76440 24.98771 294.8289       138.0746 0.000000       0.000000 294.8289       138.0746 ?        ?        91.76440 24.98771 0.000000       24.98771 
1 1 1 -21 24 28 o 348.2738 9.237914 3639.948       188.5218 0.000000       0.000000 3639.948       188.5218 ?        ?        348.2738 9.237914 0.000000       9.237914 
1 1 1 -21 24 29 o 162.9641 13.28938 821.5745       125.9109 58.77976       537.7230 865.8239       129.5114 86.01001 40.62516 167.3061 13.30875 -81.29605      42.74958 
1 1 1 -21 24 30 o 196.8403 11.96547 1188.061       137.4796 135.0500       488.5767 1278.606       143.2685 85.49461 39.84774 204.1883 12.01693 -118.6937      41.62029 
1 1 1 -21 24 31 o 63.98116 24.33355 125.7579       126.2089 -152.1770      506.0074 144.1955       130.3279 76.20298 36.88525 66.77632 24.87036 9.426659       44.48659 
1 1 1 -21 24 32 o 47.28774 21.33740 -23.71190      125.4661 -211.6247      481.7566 -10.03911      129.9505 72.54816 35.31750 49.21129 21.99887 23.33688       41.60860 
1 1 1 -21 24 33 o 133.5023 18.02201 588.7955       137.5045 -305.0014      525.1608 654.5811       142.4749 71.65349 35.28913 141.2052 17.58425 -69.55176      39.42751 
1 1 1 -21 24 34 o 49.94241 22.64152 -21.79020      143.2537 163.2003       497.7377 -38.49775      149.5830 81.88593 38.79844 49.66546 22.75327 32.22046       44.97811 
1 1 1 -21 24 35 o 55.38486 24.07053 43.08148       145.5872 -448.8719      467.4102 95.93751       153.2087 64.21315 31.91896 61.25893 25.57894 2.954216       40.90357 
1 1 1 -21 24 36 o 53.36860 23.32404 32.39140       138.3307 60.32508       495.0835 30.02597       144.0687 76.90894 37.04271 53.88570 23.66928 23.02324       43.95904 
1 1 1 -21 24 37 o 40.66634 19.69247 -167.8790      144.6185 -907.2085      462.4129 -87.72438      152.2562 55.53385 28.13844 46.22872 21.76846 9.305126       35.57581 
1 1 1 -21 25 1  o 142.0639 14.47771 607.1711       118.9402 550.6020       126.3007 1050.507       353.5760 134.7465 16.31407 178.7130 34.98745 -43.96655      38.60402 
1 1 1 -21 25 2  o 167.6093 31.51254 909.0799       298.3968 0.000000       0.000000 909.0799       298.3968 ?        ?        167.6093 31.51254 0.000000       31.51254 
1 1 1 -21 25 3  o 225.4128 11.58839 1509.261       152.6835 1377.382       175.6517 1916.937       308.8320 214.6665 14.02889 250.5580 21.21589 -35.89142      25.43470 
1 1 1 -21 25 4  o 350.3085 11.18534 3637.196       229.5057 3578.823       301.1028 3718.130       354.5465 346.0751 14.86991 351.6359 17.24472 -5.560791      22.77048 
1 1 1 -21 25 5  o 480.9294 11.97895 6859.224       337.8708 7125.749       513.9109 6656.316       448.4030 486.4308 18.04554 471.2906 16.24722 15.14020       24.28196 
1 1 1 -21 25 6  o 171.2101 12.59102 874.9742       125.5430 837.4341       142.2994 1006.806       266.6643 166.9466 14.68310 178.8803 26.19477 -11.93370      30.02931 
1 1 1 -21 25 7  o 55.51363 21.24874 66.89081       96.63373 34.03706       104.6054 258.1308       252.3778 52.35347 21.42635 95.27910 34.76048 -42.92563      40.83356 
1 1 1 -21 25 8  o 157.4072 26.31414 785.0234       234.3520 0.000000       0.000000 785.0234       234.3520 ?        ?        157.4072 26.31414 0.000000       26.31414 
1 1 1 -21 25 9  o 47.87048 20.10150 14.36030       95.43085 0.000000       0.000000 14.36030       95.43085 ?        ?        47.87048 20.10150 0.000000       20.10150 
1 1 1 -21 25 10 o 318.5845 9.287114 3000.950       173.3374 0.000000       0.000000 3000.950       173.3374 ?        ?        318.5845 9.287114 0.000000       9.287114 
1 1 1 -21 25 11 o 122.8526 15.99986 459.7081       112.5429 0.000000       0.000000 459.7081       112.5429 ?        ?        122.8526 15.99986 0.000000       15.99986 
1 1 1 -21 25 12 o 31.57465 15.63496 -244.5987      108.1030 0.000000       0.000000 -244.5987      108.1030 ?        ?        31.57465 15.63496 0.000000       15.63496 
1 1 1 -21 25 13 o 162.5971 14.91367 798.2755       140.6333 0.000000       0.000000 798.2755       140.6333 ?        ?        162.5971 14.91367 0.000000       14.91367 
1 1 1 -21 25 14 o 271.8271 9.787947 2190.868       155.7849 0.000000       0.000000 2190.868       155.7849 ?        ?        271.8271 9.787947 0.000000       9.787947 
1 1 1 -21 25 15 o 324.8102 11.03089 3138.315       209.8264 0.000000       0.000000 3138.315       209.8264 ?        ?        324.8102 11.03089 0.000000       11.03089 
1 1 1 -21 25 16 o 81.24726 22.30548 211.5093       109.5047 0.000000       0.000000 211.5093       109.5047 ?        ?        81.24726 22.30548 0.000000       22.30548 
1 1 1 -21 25 17 o 67.06840 28.86069 25.04823       205.2034 0.000000       0.000000 25.04823       205.2034 ?        ?        67.06840 28.86069 0.000000       28.86069 
1 1 1 -21 25 18 o 114.5900 19.52007 415.1058       126.4854 0.000000       0.000000 415.1058       126.4854 ?        ?        114.5900 19.52007 0.000000       19.52007 
1 1 1 -21 25 19 o 145.0298 13.98215 640.6086       117.4548 0.000000       0.000000 640.6086       117.4548 ?        ?        145.0298 13.98215 0.000000       13.98215 
1 1 1 -21 25 20 o 48.13847 20.86035 -0.3916912     108.6920 0.000000       0.000000 -0.3916912     108.6920 ?        ?        48.13847 20.86035 0.000000       20.86035 
1 1 1 -21 25 21 o 198.2747 11.04281 1181.635       127.9023 0.000000       0.000000 1181.635       127.9023 ?        ?        198.2747 11.04281 0.000000       11.04281 
1 1 1 -21 25 22 o 46.97850 20.68344 -12.91552      110.6049 0.000000       0.000000 -12.91552      110.6049 ?        ?        46.97850 20.68344 0.000000       20.68344 
1 1 1 -21 25 23 o 165.3339 12.67668 832.2791       121.9812 0.000000       0.000000 832.2791       121.9812 ?        ?        165.3339 12.67668 0.000000       12.67668 
1 1 1 -21 25 24 o 81.68038 23.19958 225.2659       116.3203 0.000000       0.000000 225.2659       116.3203 ?        ?        81.68038 23.19958 0.000000       23.19958 
1 1 1 -21 25 25 o 59.66052 23.08780 91.52570       114.9683 0.000000       0.000000 91.52570       114.9683 ?        ?        59.66052 23.08780 0.000000       23.08780 
1 1 1 -21 25 26 o 101.6154 20.23177 342.2703       116.3318 0.000000       0.000000 342.2703       116.3318 ?        ?        101.6154 20.23177 0.000000       20.23177 
1 1 1 -21 25 27 o 64.09555 29.87399 -90.82470      274.6081 0.000000       0.000000 -90.82470      274.6081 ?        ?        64.09555 29.87399 0.000000       29.87399 
1 1 1 -21 25 28 o 95.38664 22.54370 314.2693       124.1049 0.000000       0.000000 314.2693       124.1049 ?        ?        95.38664 22.54370 0.000000       22.54370 
1 1 1 -21 25 29 o 109.4874 21.27743 407.3745       131.7026 0.000000       0.000000 407.3745       131.7026 ?        ?        109.4874 21.27743 0.000000       21.27743 
1 1 1 -21 25 30 o 184.9815 13.87899 1069.115       149.4716 0.000000       0.000000 1069.115       149.4716 ?        ?        184.9815 13.87899 0.000000       13.87899 
1 1 1 -21 25 31 o 200.3267 12.98981 1246.971       151.7903 1192.299       529.4511 1251.867       158.4413 134.4947 50.12051 200.2074 13.57417 -65.71271      51.92614 
1 1 1 -21 25 32 o 50.55975 22.40029 4.676663       131.6883 -238.8205      492.9159 23.39219       136.6555 71.61913 35.05054 52.98669 23.16919 18.63243       42.01609 
1 1 1 -21 25 33 f 113.9272 21.08430 449.7330       135.6888 -425.7221      542.3966 508.1790       140.1450 69.57063 34.54857 121.8947 20.31874 -52.32410      40.08060 
1 1 1 -21 25 34 o 76.45584 26.31284 221.7588       142.8034 7.200101       492.2448 241.4759       149.2207 76.03310 36.69953 79.10104 26.90644 -3.067940      45.50618 
1 1 1 -21 25 35 o 73.94258 26.29930 206.0630       143.3829 -578.2978      491.0430 279.1727       149.9163 62.92155 31.49841 84.31374 26.89295 -21.39220      41.41715 
1 1 1 -21 25 36 o 100.5831 24.55861 380.8287       143.5914 705.6469       492.5202 350.6551       150.1126 99.26089 43.67624 94.83006 26.14800 4.430832       50.90512 
1 1 1 -21 26 1  o 133.9226 15.76282 543.5473       121.4367 484.6374       128.1270 1063.856       380.7822 125.7664 17.87370 177.7856 37.69118 -52.01915      41.71444 
1 1 1 -21 26 2  o 48.11431 21.27638 -30.32046      118.2568 -53.00565      125.5768 147.4228       351.5077 47.68042 21.44531 93.99799 38.95447 -46.31757      44.46743 
1 1 1 -21 26 3  o 124.3391 17.20730 472.5673       122.1194 523.6918       132.4762 183.4187       315.0535 130.8505 17.71763 93.39600 37.56218 37.45450       41.53110 
1 1 1 -21 26 4  o 133.9097 33.87256 596.9650       266.1627 0.000000       0.000000 596.9650       266.1627 ?        ?        133.9097 33.87256 0.000000       33.87256 
1 1 1 -21 26 5  o 202.4305 10.44842 1215.900       123.6246 0.000000       0.000000 1215.900       123.6246 ?        ?        202.4305 10.44842 0.000000       10.44842 
1 1 1 -21 26 6  o 184.9791 10.74029 1016.657       116.0159 0.000000       0.000000 1016.657       116.0159 ?        ?        184.9791 10.74029 0.000000       10.74029 
1 1 1 -21 26 7  o 62.71236 22.92035 101.2785       109.8018 0.000000       0.000000 101.2785       109.8018 ?        ?        62.71236 22.92035 0.000000       22.92035 
1 1 1 -21 26 8  o 66.64621 23.46065 123.5052       113.8579 0.000000       0.000000 123.5052       113.8579 ?        ?        66.64621 23.46065 0.000000       23.46065 
1 1 1 -21 26 9  o 162.8284 13.34508 795.3828       126.3217 0.000000       0.000000 795.3828       126.3217 ?        ?        162.8284 13.34508 0.000000       13.34508 
1 1 1 -21 26 10 o 186.9409 12.06523 1043.352       131.5724 0.000000       0.000000 1043.352       131.5724 ?        ?        186.9409 12.06523 0.000000       12.06523 
1 1 1 -21 26 11 o 207.8862 11.40578 1287.598       138.5268 0.000000       0.000000 1287.598       138.5268 ?        ?        207.8862 11.40578 0.000000       11.40578 
1 1 1 -21 26 12 o 173.1462 13.05619 899.7089       131.6037 0.000000       0.000000 899.7089       131.6037 ?        ?        173.1462 13.05619 0.000000       13.05619 
1 1 1 -21 26 13 o 94.72697 22.45227 288.0589       122.8182 0.000000       0.000000 288.0589       122.8182 ?        ?        94.72697 22.45227 0.000000       22.45227 
1 1 1 -21 26 14 o 174.8996 13.06862 919.9086       133.0815 0.000000       0.000000 919.9086       133.0815 ?        ?        174.8996 13.06862 0.000000       13.06862 
1 1 1 -21 26 15 o 153.8055 16.16981 723.9874       143.6780 0.000000       0.000000 723.9874       143.6780 ?        ?        153.8055 16.16981 0.000000       16.16981 
1 1 1 -21 26 16 o 137.9451 16.23579 585.5330       128.8376 0.000000       0.000000 585.5330       128.8376 ?        ?        137.9451 16.23579 0.000000       16.23579 
1 1 1 -21 26 17 o 218.5764 10.74892 1428.641       137.3677 0.000000       0.000000 1428.641       137.3677 ?        ?        218.5764 10.74892 0.000000       10.74892 
1 1 1 -21 26 18 o 107.1704 19.67035 367.3269       119.0792 0.000000       0.000000 367.3269       119.0792 ?        ?        107.1704 19.67035 0.000000       19.67035 
1 1 1 -21 26 19 o 92.20318 22.68326 281.5342       121.8038 0.000000       0.000000 281.5342       121.8038 ?        ?        92.20318 22.68326 0.000000       22.68326 
1 1 1 -21 26 20 o 109.2057 19.00459 381.8097       117.2993 0.000000       0.000000 381.8097       117.2993 ?        ?        109.2057 19.00459 0.000000       19.00459 
1 1 1 -21 26 21 o 69.26843 23.16796 152.5900       110.6372 0.000000       0.000000 152.5900       110.6372 ?        ?        69.26843 23.16796 0.000000       23.16796 
1 1 1 -21 26 22 o 76.56310 23.43084 195.4022       115.0370 0.000000       0.000000 195.4022       115.0370 ?        ?        76.56310 23.43084 0.000000       23.43084 
1 1 1 -21 26 23 o 37.55278 17.96771 -134.3260      112.2012 0.000000       0.000000 -134.3260      112.2012 ?        ?        37.55278 17.96771 0.000000       17.96771 
1 1 1 -21 26 24 o 100.1892 20.68123 332.9493       117.4904 0.000000       0.000000 332.9493       117.4904 ?        ?        100.1892 20.68123 0.000000       20.68123 
1 1 1 -21 26 25 o 59.17107 23.26415 87.77658       118.2311 0.000000       0.000000 87.77658       118.2311 ?        ?        59.17107 23.26415 0.000000       23.26415 
1 1 1 -21 26 26 o 153.7233 14.19999 735.5954       126.5739 0.000000       0.000000 735.5954       126.5739 ?        ?        153.7233 14.19999 0.000000       14.19999 
1 1 1 -21 26 27 o 57.47167 23.43611 71.57198       124.5943 0.000000       0.000000 71.57198       124.5943 ?        ?        57.47167 23.43611 0.000000       23.43611 
1 1 1 -21 26 28 o 71.24926 24.95674 172.8171       128.7335 0.000000       0.000000 172.8171       128.7335 ?        ?        71.24926 24.95674 0.000000       24.95674 
1 1 1 -21 26 29 o 59.90612 24.41664 86.88274       135.1565 0.000000       0.000000 86.88274       135.1565 ?        ?        59.90612 24.41664 0.000000       24.41664 
1 1 1 -21 26 30 o 138.4780 18.90277 636.1470       149.5138 0.000000       0.000000 636.1470       149.5138 ?        ?        138.4780 18.90277 0.000000       18.90277 
1 1 1 -21 26 31 o 44.68577 21.09639 -105.2810      144.6864 0.000000       0.000000 -105.2810      144.6864 ?        ?        44.68577 21.09639 0.000000       21.09639 
1 1 1 -21 26 32 o 129.5227 20.92294 577.1450       153.5193 0.000000       0.000000 577.1450       153.5193 ?        ?        129.5227 20.92294 0.000000       20.92294 
1 1 1 -21 26 33 o 88.59213 26.08322 301.7335       144.6174 -100.4409      521.3893 335.2531       150.5235 74.43349 36.34650 93.23214 26.36061 -18.79865      44.89933 
1 1 1 -21 26 34 o 56.28080 24.07285 59.09219       141.1706 -148.9561      476.1329 79.14422       147.8173 70.93256 34.65775 58.95593 24.90153 11.97663       42.67606 
1 1 1 -21 26 35 o 70.34106 26.21380 181.9688       144.8305 462.6045       494.1288 155.5937       151.4835 89.13853 41.02705 67.22416 26.36236 21.91437       48.76671 
1 1 1 -21 27 1  o 183.6906 11.32491 1004.717       121.4104 1678.526       553.7781 970.6943       124.4378 217.5354 44.89586 180.4179 11.82559 37.11751       46.42718 
1 1 1 -21 27 2  o 328.5215 29.71122 3442.146       566.2647 3442.146       566.2647 0.000000       0.000000 328.5215 29.71122 ?        ?        0.000000       29.71122 
1 1 1 -21 27 3  o 376.6921 17.68548 4290.245       389.6186 0.000000       0.000000 4290.245       389.6186 ?        ?        376.6921 17.68548 0.000000       17.68548 
1 1 1 -21 27 4  o 242.3007 21.60926 1809.323       303.8564 0.000000       0.000000 1809.323       303.8564 ?        ?        242.3007 21.60926 0.000000       21.60926 
1 1 1 -21 27 5  o 133.4152 14.85699 539.0679       114.2784 0.000000       0.000000 539.0679       114.2784 ?        ?        133.4152 14.85699 0.000000       14.85699 
1 1 1 -21 27 6  o 139.6385 14.53594 589.4228       117.3012 0.000000       0.000000 589.4228       117.3012 ?        ?        139.6385 14.53594 0.000000       14.53594 
1 1 1 -21 27 7  o 132.2393 15.51661 531.7347       118.0529 0.000000       0.000000 531.7347       118.0529 ?        ?        132.2393 15.51661 0.000000       15.51661 
1 1 1 -21 27 8  o 164.1654 13.11592 809.0970       125.2294 0.000000       0.000000 809.0970       125.2294 ?        ?        164.1654 13.11592 0.000000       13.11592 
1 1 1 -21 27 9  o 69.30906 23.20713 143.0868       111.0077 0.000000       0.000000 143.0868       111.0077 ?        ?        69.30906 23.20713 0.000000       23.20713 
1 1 1 -21 27 10 f 131.1495 15.06337 523.2421       113.7605 0.000000       0.000000 523.2421       113.7605 ?        ?        131.1495 15.06337 0.000000       15.06337 
1 1 1 -21 27 11 o 111.5003 17.82071 386.2665       112.6120 0.000000       0.000000 386.2665       112.6120 ?        ?        111.5003 17.82071 0.000000       17.82071 
1 1 1 -21 27 12 o 161.9970 12.79398 789.7191       120.5662 0.000000       0.000000 789.7191       120.5662 ?        ?        161.9970 12.79398 0.000000       12.79398 
1 1 1 -21 27 13 o 126.6808 17.60258 497.9706       127.2506 0.000000       0.000000 497.9706       127.2506 ?        ?        126.6808 17.60258 0.000000       17.60258 
1 1 1 -21 27 14 o 86.91019 22.25895 245.7478       113.9427 0.000000       0.000000 245.7478       113.9427 ?        ?        86.91019 22.25895 0.000000       22.25895 
1 1 1 -21 27 15 o 143.5412 18.32788 643.5040       150.7757 0.000000       0.000000 643.5040       150.7757 ?        ?        143.5412 18.32788 0.000000       18.32788 
1 1 1 -21 27 16 o 124.0424 17.02369 479.9492       120.5805 0.000000       0.000000 479.9492       120.5805 ?        ?        124.0424 17.02369 0.000000       17.02369 
1 1 1 -21 27 17 o 129.5922 16.03607 521.1464       119.2806 0.000000       0.000000 521.1464       119.2806 ?        ?        129.5922 16.03607 0.000000       16.03607 
1 1 1 -21 27 18 o 215.8588 10.54240 1397.375       133.0590 0.000000       0.000000 1397.375       133.0590 ?        ?        215.8588 10.54240 0.000000       10.54240 
1 1 1 -21 27 19 o 80.60257 22.95895 216.5036       113.7579 0.000000       0.000000 216.5036       113.7579 ?        ?        80.60257 22.95895 0.000000       22.95895 
1 1 1 -21 27 20 o 39.21915 18.34198 -86.55161      104.9657 0.000000       0.000000 -86.55161      104.9657 ?        ?        39.21915 18.34198 0.000000       18.34198 
1 1 1 -21 27 21 o 153.5051 13.44627 722.3646       119.8318 0.000000       0.000000 722.3646       119.8318 ?        ?        153.5051 13.44627 0.000000       13.44627 
1 1 1 -21 27 22 o 75.52467 26.81815 186.2104       149.0409 0.000000       0.000000 186.2104       149.0409 ?        ?        75.52467 26.81815 0.000000       26.81815 
1 1 1 -21 27 23 o 59.88229 23.17068 93.68291       115.7842 0.000000       0.000000 93.68291       115.7842 ?        ?        59.88229 23.17068 0.000000       23.17068 
1 1 1 -21 27 24 o 39.79165 18.60250 -82.22464      107.7956 0.000000       0.000000 -82.22464      107.7956 ?        ?        39.79165 18.60250 0.000000       18.60250 
1 1 1 -21 27 25 o 74.36217 22.83526 189.4356       109.1452 0.000000       0.000000 189.4356       109.1452 ?        ?        74.36217 22.83526 0.000000       22.83526 
1 1 1 -21 27 26 o 109.0217 20.39818 398.2704       125.6302 0.000000       0.000000 398.2704       125.6302 ?        ?        109.0217 20.39818 0.000000       20.39818 
1 1 1 -21 27 27 o 115.7954 19.56333 446.0081       128.1291 0.000000       0.000000 446.0081       128.1291 ?        ?        115.7954 19.56333 0.000000       19.56333 
1 1 1 -21 27 28 o 50.49509 22.45886 -4.384003      133.6714 0.000000       0.000000 -4.384003      133.6714 ?        ?        50.49509 22.45886 0.000000       22.45886 
1 1 1 -21 27 29 o 60.72309 24.90409 91.22846       141.6936 0.000000       0.000000 91.22846       141.6936 ?        ?        60.72309 24.90409 0.000000       24.90409 
1 1 1 -21 27 30 o 46.36580 21.55501 -70.30247      141.5253 0.000000       0.000000 -70.30247      141.5253 ?        ?        46.36580 21.55501 0.000000       21.55501 
1 1 1 -21 27 31 o 53.84488 23.92418 12.31954       151.2893 0.000000       0.000000 12.31954       151.2893 ?        ?        53.84488 23.92418 0.000000       23.92418 
1 1 1 -21 27 32 o 74.31233 27.34344 206.9108       156.6830 0.000000       0.000000 206.9108       156.6830 ?        ?        74.31233 27.34344 0.000000       27.34344 
1 1 1 -21 27 33 o 58.54545 25.19625 65.70859       156.4395 0.000000       0.000000 65.70859       156.4395 ?        ?        58.54545 25.19625 0.000000       25.19625 
1 1 1 -21 27 34 o 80.91798 27.59150 261.1659       156.9301 0.000000       0.000000 261.1659       156.9301 ?        ?        80.91798 27.59150 0.000000       27.59150 
1 1 1 -21 28 1  o 399.0260 26.47954 5029.611       616.1667 5029.611       616.1667 0.000000       0.000000 399.0260 26.47954 ?        ?        0.000000       26.47954 
1 1 1 -21 28 2  o 477.3055 15.88379 6865.386       444.0132 6011.116       618.2983 7775.037       638.0255 438.9503 24.11034 502.1750 21.71501 -63.22467      32.44765 
1 1 1 -21 28 3  o 223.0093 11.13296 1481.130       145.1472 1712.948       543.3063 1463.313       150.6217 218.0700 44.00050 221.5039 11.63541 -3.433884      45.51293 
1 1 1 -21 28 4  o 372.9028 9.545267 4120.378       208.5821 0.000000       0.000000 4120.378       208.5821 ?        ?        372.9028 9.545267 0.000000       9.545267 
1 1 1 -21 28 5  o 96.63626 21.42784 297.7791       118.2562 0.000000       0.000000 297.7791       118.2562 ?        ?        96.63626 21.42784 0.000000       21.42784 
1 1 1 -21 28 6  o 202.0050 11.70007 1218.896       138.0190 0.000000       0.000000 1218.896       138.0190 ?        ?        202.0050 11.70007 0.000000       11.70007 
1 1 1 -21 28 7  o 58.91151 22.83759 75.78912       112.6368 0.000000       0.000000 75.78912       112.6368 ?        ?        58.91151 22.83759 0.000000       22.83759 
1 1 1 -21 28 8  o 85.30944 21.77283 233.9693       109.2841 0.000000       0.000000 233.9693       109.2841 ?        ?        85.30944 21.77283 0.000000       21.77283 
1 1 1 -21 28 9  o 52.32713 21.58612 34.13746       107.2646 0.000000       0.000000 34.13746       107.2646 ?        ?        52.32713 21.58612 0.000000       21.58612 
1 1 1 -21 28 10 o 218.0932 10.91368 1420.332       139.1495 0.000000       0.000000 1420.332       139.1495 ?        ?        218.0932 10.91368 0.000000       10.91368 
1 1 1 -21 28 11 o 130.3347 16.20271 523.4787       121.1843 0.000000       0.000000 523.4787       121.1843 ?        ?        130.3347 16.20271 0.000000       16.20271 
1 1 1 -21 28 12 o 144.0787 13.76713 630.9665       114.9175 0.000000       0.000000 630.9665       114.9175 ?        ?        144.0787 13.76713 0.000000       13.76713 
1 1 1 -21 28 13 o 73.74508 24.73703 170.3622       126.1203 0.000000       0.000000 170.3622       126.1203 ?        ?        73.74508 24.73703 0.000000       24.73703 
1 1 1 -21 28 14 o 195.8967 11.16137 1152.152       127.7010 0.000000       0.000000 1152.152       127.7010 ?        ?        195.8967 11.16137 0.000000       11.16137 
1 1 1 -21 28 15 o 181.5969 12.16566 996.2025       128.8196 0.000000       0.000000 996.2025       128.8196 ?        ?        181.5969 12.16566 0.000000       12.16566 
1 1 1 -21 28 16 o 110.5269 19.32608 391.5646       120.7154 0.000000       0.000000 391.5646       120.7154 ?        ?        110.5269 19.32608 0.000000       19.32608 
1 1 1 -21 28 17 o 229.7004 10.27492 1581.667       138.0670 0.000000       0.000000 1581.667       138.0670 ?        ?        229.7004 10.27492 0.000000       10.27492 
1 1 1 -21 28 18 o 65.27532 23.47401 126.7716       114.5575 0.000000       0.000000 126.7716       114.5575 ?        ?        65.27532 23.47401 0.000000       23.47401 
1 1 1 -21 28 19 o 61.03341 23.15976 99.52633       114.1677 0.000000       0.000000 99.52633       114.1677 ?        ?        61.03341 23.15976 0.000000       23.15976 
1 1 1 -21 28 20 f 107.3416 19.19369 373.6531       116.3949 0.000000       0.000000 373.6531       116.3949 ?        ?        107.3416 19.19369 0.000000       19.19369 
1 1 1 -21 28 21 o 73.68908 22.55893 181.8952       106.6232 0.000000       0.000000 181.8952       106.6232 ?        ?        73.68908 22.55893 0.000000       22.55893 
1 1 1 -21 28 22 o 92.38220 21.93490 289.6846       117.0601 0.000000       0.000000 289.6846       117.0601 ?        ?        92.38220 21.93490 0.000000       21.93490 
1 1 1 -21 28 23 o 48.75445 21.32599 2.508518       115.8657 0.000000       0.000000 2.508518       115.8657 ?        ?        48.75445 21.32599 0.000000       21.32599 
1 1 1 -21 28 24 o 91.47122 37.68976 318.2371       326.4958 0.000000       0.000000 318.2371       326.4958 ?        ?        91.47122 37.68976 0.000000       37.68976 
1 1 1 -21 28 25 o 86.48090 23.29249 262.7102       120.7607 0.000000       0.000000 262.7102       120.7607 ?        ?        86.48090 23.29249 0.000000       23.29249 
1 1 1 -21 28 26 o 51.20584 22.26350 17.10868       124.6558 0.000000       0.000000 17.10868       124.6558 ?        ?        51.20584 22.26350 0.000000       22.26350 
1 1 1 -21 28 27 o 165.9669 13.55903 860.1083       130.8285 0.000000       0.000000 860.1083       130.8285 ?        ?        165.9669 13.55903 0.000000       13.55903 
1 1 1 -21 28 28 o 79.25725 25.94641 232.0377       138.9839 0.000000       0.000000 232.0377       138.9839 ?        ?        79.25725 25.94641 0.000000       25.94641 
1 1 1 -21 28 29 o 63.32691 25.38396 115.6856       143.3739 0.000000       0.000000 115.6856       143.3739 ?        ?        63.32691 25.38396 0.000000       25.38396 
1 1 1 -21 28 30 o 109.3249 24.21908 435.3177       151.1922 0.000000       0.000000 435.3177       151.1922 ?        ?        109.3249 24.21908 0.000000       24.21908 
1 1 1 -21 28 31 o 72.45178 27.09117 192.6167       154.9464 0.000000       0.000000 192.6167       154.9464 ?        ?        72.45178 27.09117 0.000000       27.09117 
1 1 1 -21 28 32 o 56.75863 25.14787 32.57170       165.9942 0.000000       0.000000 32.57170       165.9942 ?        ?        56.75863 25.14787 0.000000       25.14787 
1 1 1 -21 28 33 o 108.0811 26.05408 448.5951       163.2034 0.000000       0.000000 448.5951       163.2034 ?        ?        108.0811 26.05408 0.000000       26.05408 
1 1 1 -21 29 1  o 105.7815 45.66192 223.3231       516.7773 223.3231       516.7773 0.000000       0.000000 105.7815 45.66192 ?        ?        0.000000       45.66192 
1 1 1 -21 29 2  o 56.58083 22.20061 66.03497       107.4801 0.000000       0.000000 66.03497       107.4801 ?        ?        56.58083 22.20061 0.000000       22.20061 
1 1 1 -21 29 3  o 206.2408 11.56114 1272.555       139.2784 899.7056       483.4298 1306.304       145.4454 150.2414 48.33059 208.8344 11.92495 -58.59294      49.78003 
1 1 1 -21 29 4  o 90.41342 21.26083 263.1451       110.8297 -69.29195      481.8383 281.7157       113.8832 89.91653 41.05850 93.60124 21.23495 -3.684708      46.22470 
1 1 1 -21 29 5  o 69.48194 22.59509 148.9984       105.4863 0.000000       0.000000 148.9984       105.4863 ?        ?        69.48194 22.59509 0.000000       22.59509 
1 1 1 -21 29 6  o 77.87385 23.40000 194.8343       115.4607 0.000000       0.000000 194.8343       115.4607 ?        ?        77.87385 23.40000 0.000000       23.40000 
1 1 1 -21 29 7  o 134.2395 15.87918 553.9383       122.5965 0.000000       0.000000 553.9383       122.5965 ?        ?        134.2395 15.87918 0.000000       15.87918 
1 1 1 -21 29 8  o 69.56686 22.94219 149.6136       108.5834 0.000000       0.000000 149.6136       108.5834 ?        ?        69.56686 22.94219 0.000000       22.94219 
1 1 1 -21 29 9  o 77.94099 23.54395 196.7622       116.6627 0.000000       0.000000 196.7622       116.6627 ?        ?        77.94099 23.54395 0.000000       23.54395 
1 1 1 -21 29 10 o 90.27298 20.86230 264.4826       108.2356 0.000000       0.000000 264.4826       108.2356 ?        ?        90.27298 20.86230 0.000000       20.86230 
1 1 1 -21 29 11 o 65.52798 22.81378 128.1824       107.4802 0.000000       0.000000 128.1824       107.4802 ?        ?        65.52798 22.81378 0.000000       22.81378 
1 1 1 -21 29 12 o 68.43678 23.15101 145.0247       110.4602 0.000000       0.000000 145.0247       110.4602 ?        ?        68.43678 23.15101 0.000000       23.15101 
1 1 1 -21 29 13 o 53.32528 22.24845 35.14101       115.7729 0.000000       0.000000 35.14101       115.7729 ?        ?        53.32528 22.24845 0.000000       22.24845 
1 1 1 -21 29 14 o 161.0874 15.00796 798.7943       140.1548 0.000000       0.000000 798.7943       140.1548 ?        ?        161.0874 15.00796 0.000000       15.00796 
1 1 1 -21 29 15 o 162.3517 12.78003 801.8812       120.7052 0.000000       0.000000 801.8812       120.7052 ?        ?        162.3517 12.78003 0.000000       12.78003 
1 1 1 -21 29 16 f 156.0508 13.53252 745.3713       122.6267 0.000000       0.000000 745.3713       122.6267 ?        ?        156.0508 13.53252 0.000000       13.53252 
1 1 1 -21 29 17 o 66.11974 23.15641 134.6302       110.8276 0.000000       0.000000 134.6302       110.8276 ?        ?        66.11974 23.15641 0.000000       23.15641 
1 1 1 -21 29 18 o 136.9577 15.60302 585.4504       123.0948 0.000000       0.000000 585.4504       123.0948 ?        ?        136.9577 15.60302 0.000000       15.60302 
1 1 1 -21 29 19 o 191.6429 12.42224 1119.484       138.8664 0.000000       0.000000 1119.484       138.8664 ?        ?        191.6429 12.42224 0.000000       12.42224 
1 1 1 -21 29 20 o 44.49399 20.41106 -58.86699      120.9101 0.000000       0.000000 -58.86699      120.9101 ?        ?        44.49399 20.41106 0.000000       20.41106 
1 1 1 -21 29 21 o 58.96120 23.43059 84.29081       121.1061 0.000000       0.000000 84.29081       121.1061 ?        ?        58.96120 23.43059 0.000000       23.43059 
1 1 1 -21 29 22 o 72.93584 23.71992 181.2229       116.2492 0.000000       0.000000 181.2229       116.2492 ?        ?        72.93584 23.71992 0.000000       23.71992 
1 1 1 -21 29 23 o 81.39963 23.44953 231.8575       118.0256 0.000000       0.000000 231.8575       118.0256 ?        ?        81.39963 23.44953 0.000000       23.44953 
1 1 1 -21 29 24 o 111.6851 19.90176 416.3704       125.5773 0.000000       0.000000 416.3704       125.5773 ?        ?        111.6851 19.90176 0.000000       19.90176 
1 1 1 -21 29 25 o 114.6625 20.36782 443.3281       131.9494 0.000000       0.000000 443.3281       131.9494 ?        ?        114.6625 20.36782 0.000000       20.36782 
1 1 1 -21 29 26 o 67.98203 28.74021 114.4098       197.1988 0.000000       0.000000 114.4098       197.1988 ?        ?        67.98203 28.74021 0.000000       28.74021 
1 1 1 -21 29 27 o 99.60423 24.76874 363.0204       144.0792 0.000000       0.000000 363.0204       144.0792 ?        ?        99.60423 24.76874 0.000000       24.76874 
1 1 1 -21 29 28 o 97.45357 23.91286 344.9071       135.6304 0.000000       0.000000 344.9071       135.6304 ?        ?        97.45357 23.91286 0.000000       23.91286 
1 1 1 -21 29 29 o 121.2492 21.25406 510.2788       145.6303 0.000000       0.000000 510.2788       145.6303 ?        ?        121.2492 21.25406 0.000000       21.25406 
1 1 1 -21 29 30 o 100.5831 27.01925 393.3872       162.7564 0.000000       0.000000 393.3872       162.7564 ?        ?        100.5831 27.01925 0.000000       27.01925 
1 1 1 -21 29 31 o 47.72930 22.52393 -99.23077      164.6171 0.000000       0.000000 -99.23077      164.6171 ?        ?        47.72930 22.52393 0.000000       22.52393 
1 1 1 -21 29 32 o 102.2549 28.41963 423.7925       176.5513 0.000000       0.000000 423.7925       176.5513 ?        ?        102.2549 28.41963 0.000000       28.41963 
1 1 1 -21 30 1  o 289.9549 29.96500 2819.618       502.2270 2819.618       502.2270 0.000000       0.000000 289.9549 29.96500 ?        ?        0.000000       29.96500 
1 1 1 -21 30 2  f 117.4177 19.79071 437.9821       131.4434 1172.640       493.8815 381.9776       136.3615 168.5638 47.77941 108.4688 22.18453 60.09493       52.67851 
1 1 1 -21 30 3  o 313.3538 14.82168 2982.969       271.6128 3946.172       519.8922 2621.374       318.5418 348.9600 25.58087 290.6575 18.78742 58.30252       31.73874 
1 1 1 -21 30 4  o 131.1153 15.14729 528.2870       114.3375 498.3617       453.6034 530.3174       118.1526 116.1082 45.59268 131.1643 15.66908 -15.05613      48.21009 
1 1 1 -21 30 5  o 95.65337 20.97575 296.6175       114.4231 1833.951       470.6297 200.0350       117.9626 225.7485 36.81464 78.37887 23.67444 147.3696       43.76982 
1 1 1 -21 30 6  o 131.9388 16.01927 538.4284       121.4190 0.000000       0.000000 538.4284       121.4190 ?        ?        131.9388 16.01927 0.000000       16.01927 
1 1 1 -21 30 7  o 57.07539 22.27558 73.11613       107.7289 0.000000       0.000000 73.11613       107.7289 ?        ?        57.07539 22.27558 0.000000       22.27558 
1 1 1 -21 30 8  o 149.9202 14.50843 688.3575       125.9726 0.000000       0.000000 688.3575       125.9726 ?        ?        149.9202 14.50843 0.000000       14.50843 
1 1 1 -21 30 9  o 42.74771 19.38002 -46.32475      104.9590 0.000000       0.000000 -46.32475      104.9590 ?        ?        42.74771 19.38002 0.000000       19.38002 
1 1 1 -21 30 10 o 87.93739 23.06522 257.3007       120.4062 0.000000       0.000000 257.3007       120.4062 ?        ?        87.93739 23.06522 0.000000       23.06522 
1 1 1 -21 30 11 o 192.9541 10.99612 1119.665       123.9202 0.000000       0.000000 1119.665       123.9202 ?        ?        192.9541 10.99612 0.000000       10.99612 
1 1 1 -21 30 12 o 60.66546 22.38456 101.9826       105.1291 0.000000       0.000000 101.9826       105.1291 ?        ?        60.66546 22.38456 0.000000       22.38456 
1 1 1 -21 30 13 o 48.89780 21.33201 -2.511410      115.2648 0.000000       0.000000 -2.511410      115.2648 ?        ?        48.89780 21.33201 0.000000       21.33201 
1 1 1 -21 30 14 o 112.5277 17.82104 402.9579       113.6961 0.000000       0.000000 402.9579       113.6961 ?        ?        112.5277 17.82104 0.000000       17.82104 
1 1 1 -21 30 15 o 98.37929 21.42923 320.8578       120.1329 0.000000       0.000000 320.8578       120.1329 ?        ?        98.37929 21.42923 0.000000       21.42923 
1 1 1 -21 30 16 o 164.0996 12.80230 822.5416       122.2356 0.000000       0.000000 822.5416       122.2356 ?        ?        164.0996 12.80230 0.000000       12.80230 
1 1 1 -21 30 17 o 62.00146 23.13378 109.4350       112.8627 0.000000       0.000000 109.4350       112.8627 ?        ?        62.00146 23.13378 0.000000       23.13378 
1 1 1 -21 30 18 o 132.0206 15.84616 548.5398       120.2429 0.000000       0.000000 548.5398       120.2429 ?        ?        132.0206 15.84616 0.000000       15.84616 
1 1 1 -21 30 19 o 68.42566 24.06799 151.3330       119.8122 0.000000       0.000000 151.3330       119.8122 ?        ?        68.42566 24.06799 0.000000       24.06799 
1 1 1 -21 30 20 f 65.30659 24.16634 130.5033       122.6852 0.000000       0.000000 130.5033       122.6852 ?        ?        65.30659 24.16634 0.000000       24.16634 
1 1 1 -21 30 21 o 51.48320 22.05576 25.32806       118.8483 0.000000       0.000000 25.32806       118.8483 ?        ?        51.48320 22.05576 0.000000       22.05576 
1 1 1 -21 30 22 o 79.63119 24.35725 224.0720       124.3341 0.000000       0.000000 224.0720       124.3341 ?        ?        79.63119 24.35725 0.000000       24.35725 
1 1 1 -21 30 23 o 145.6236 16.01526 676.2439       134.5229 0.000000       0.000000 676.2439       134.5229 ?        ?        145.6236 16.01526 0.000000       16.01526 
1 1 1 -21 30 24 o 97.12870 23.39436 334.8085       131.6682 0.000000       0.000000 334.8085       131.6682 ?        ?        97.12870 23.39436 0.000000       23.39436 
1 1 1 -21 30 25 o 35.63263 17.48546 -210.7843      125.2118 0.000000       0.000000 -210.7843      125.2118 ?        ?        35.63263 17.48546 0.000000       17.48546 
1 1 1 -21 30 26 o 61.24957 24.87193 99.46351       139.6299 0.000000       0.000000 99.46351       139.6299 ?        ?        61.24957 24.87193 0.000000       24.87193 
1 1 1 -21 30 27 o 145.4168 19.54849 711.1863       162.4973 0.000000       0.000000 711.1863       162.4973 ?        ?        145.4168 19.54849 0.000000       19.54849 
1 1 1 -21 30 28 o 87.89423 28.64163 308.7412       169.4516 0.000000       0.000000 308.7412       169.4516 ?        ?        87.89423 28.64163 0.000000       28.64163 
1 1 1 -21 30 29 o 95.60245 38.66897 479.1776       335.9866 0.000000       0.000000 479.1776       335.9866 ?        ?        95.60245 38.66897 0.000000       38.66897 
1 1 1 -21 30 30 o 54.95895 24.80405 3.233495       169.6497 0.000000       0.000000 3.233495       169.6497 ?        ?        54.95895 24.80405 0.000000       24.80405 
1 1 1 -21 30 31 o 81.03482 29.61472 271.5919       183.3033 0.000000       0.000000 271.5919       183.3033 ?        ?        81.03482 29.61472 0.000000       29.61472 
1 1 1 -21 31 1  o 213.0396 12.73478 1372.798       158.3856 2017.793       440.1741 1276.867       169.7558 240.8448 31.95020 204.6597 14.23167 36.18510       34.97650 
1 1 1 -21 31 2  o 372.7840 23.28354 4472.708       506.5040 4472.708       506.5040 0.000000       0.000000 372.7840 23.28354 ?        ?        0.000000       23.28354 
1 1 1 -21 31 3  o 487.5791 16.18407 7299.210       462.1481 6726.188       576.8810 8325.851       772.1641 460.3246 21.42717 502.7392 26.28010 -42.41458      33.90821 
1 1 1 -21 31 4  o 314.7462 14.54163 3019.768       267.7002 2989.938       468.8282 3034.199       326.0855 299.7958 26.95214 312.5027 17.86655 -12.70688      32.33623 
1 1 1 -21 31 5  o 193.6303 12.27981 1133.413       138.7306 0.000000       0.000000 1133.413       138.7306 ?        ?        193.6303 12.27981 0.000000       12.27981 
1 1 1 -21 31 6  o 77.46411 23.42231 197.6758       115.4212 445.3387       435.8662 178.9990       119.6942 109.3360 44.10768 74.34235 24.06048 34.99365       50.24335 
1 1 1 -21 31 7  o 108.0543 19.77060 376.3459       120.6734 0.000000       0.000000 376.3459       120.6734 ?        ?        108.0543 19.77060 0.000000       19.77060 
1 1 1 -21 31 8  f 120.9462 18.45915 464.9444       126.7929 0.000000       0.000000 464.9444       126.7929 ?        ?        120.9462 18.45915 0.000000       18.45915 
1 1 1 -21 31 9  o 177.9346 24.59756 1049.751       249.8282 0.000000       0.000000 1049.751       249.8282 ?        ?        177.9346 24.59756 0.000000       24.59756 
1 1 1 -21 31 10 o 44.97193 20.21897 -35.33092      111.4991 0.000000       0.000000 -35.33092      111.4991 ?        ?        44.97193 20.21897 0.000000       20.21897 
1 1 1 -21 31 11 o 38.86002 18.62155 -149.1985      121.5248 0.000000       0.000000 -149.1985      121.5248 ?        ?        38.86002 18.62155 0.000000       18.62155 
1 1 1 -21 31 12 o 95.32829 21.32685 301.1633       116.2466 0.000000       0.000000 301.1633       116.2466 ?        ?        95.32829 21.32685 0.000000       21.32685 
1 1 1 -21 31 13 o 58.88947 24.72756 50.33868       144.4001 0.000000       0.000000 50.33868       144.4001 ?        ?        58.88947 24.72756 0.000000       24.72756 
1 1 1 -21 31 14 o 106.1526 19.46698 367.0553       116.7288 0.000000       0.000000 367.0553       116.7288 ?        ?        106.1526 19.46698 0.000000       19.46698 
1 1 1 -21 31 15 o 81.74768 37.78754 5.972344       425.6878 0.000000       0.000000 5.972344       425.6878 ?        ?        81.74768 37.78754 0.000000       37.78754 
1 1 1 -21 31 16 f 118.2615 18.59400 452.8573       124.7117 0.000000       0.000000 452.8573       124.7117 ?        ?        118.2615 18.59400 0.000000       18.59400 
1 1 1 -21 31 17 o 91.22437 21.76577 282.8794       114.8187 0.000000       0.000000 282.8794       114.8187 ?        ?        91.22437 21.76577 0.000000       21.76577 
1 1 1 -21 31 18 o 72.87753 24.15991 180.1398       120.3680 0.000000       0.000000 180.1398       120.3680 ?        ?        72.87753 24.15991 0.000000       24.15991 
1 1 1 -21 31 19 o 94.63537 22.14378 307.3477       120.7080 0.000000       0.000000 307.3477       120.7080 ?        ?        94.63537 22.14378 0.000000       22.14378 
1 1 1 -21 31 20 o 47.20874 21.07946 -17.17950      118.9534 0.000000       0.000000 -17.17950      118.9534 ?        ?        47.20874 21.07946 0.000000       21.07946 
1 1 1 -21 31 21 o 176.2221 13.36856 963.6992       137.1333 0.000000       0.000000 963.6992       137.1333 ?        ?        176.2221 13.36856 0.000000       13.36856 
1 1 1 -21 31 22 o 79.87730 24.83161 229.6494       128.5989 0.000000       0.000000 229.6494       128.5989 ?        ?        79.87730 24.83161 0.000000       24.83161 
1 1 1 -21 31 23 o 61.95620 24.15547 111.4914       126.5737 0.000000       0.000000 111.4914       126.5737 ?        ?        61.95620 24.15547 0.000000       24.15547 
1 1 1 -21 31 24 o 85.34925 26.05277 272.4857       142.3412 0.000000       0.000000 272.4857       142.3412 ?        ?        85.34925 26.05277 0.000000       26.05277 
1 1 1 -21 31 25 o 166.1094 15.51019 882.4572       149.3524 0.000000       0.000000 882.4572       149.3524 ?        ?        166.1094 15.51019 0.000000       15.51019 
1 1 1 -21 31 26 o 114.3257 22.40728 461.1888       144.8652 0.000000       0.000000 461.1888       144.8652 ?        ?        114.3257 22.40728 0.000000       22.40728 
1 1 1 -21 31 27 o 111.6636 25.61929 467.0490       164.2068 0.000000       0.000000 467.0490       164.2068 ?        ?        111.6636 25.61929 0.000000       25.61929 
1 1 1 -21 31 28 o 139.9518 23.41399 703.2167       185.3951 0.000000       0.000000 703.2167       185.3951 ?        ?        139.9518 23.41399 0.000000       23.41399 
1 1 1 -21 31 29 o 61.76712 27.14949 67.34646       189.8418 0.000000       0.000000 67.34646       189.8418 ?        ?        61.76712 27.14949 0.000000       27.14949 
1 1 1 -21 32 1  o 88.01324 23.42364 259.9380       123.0271 1102.704       410.0839 176.5848       128.9676 164.8019 42.23804 74.09380 25.01554 90.70813       49.09002 
1 1 1 -21 32 2  o 276.9229 18.15277 2400.054       293.1913 2178.773       434.1521 2585.581       397.5338 250.5991 30.14468 280.5295 24.40533 -29.93045      38.78559 
1 1 1 -21 32 3  o 115.7617 22.90389 444.1347       149.9897 546.9456       425.7026 429.5629       160.2670 115.0780 44.45567 112.6708 24.91609 2.407204       50.96193 
1 1 1 -21 32 4  o 132.0145 19.53205 558.0908       146.6658 0.000000       0.000000 558.0908       146.6658 ?        ?        132.0145 19.53205 0.000000       19.53205 
1 1 1 -21 32 5  o 79.86651 24.82518 213.4704       128.5368 0.000000       0.000000 213.4704       128.5368 ?        ?        79.86651 24.82518 0.000000       24.82518 
1 1 1 -21 32 6  o 81.47732 23.75386 222.9213       120.4504 818.3958       461.0707 179.3055       124.7837 133.7675 47.20039 74.19683 24.59913 59.57067       53.22588 
1 1 1 -21 32 7  o 70.82133 24.13853 159.8593       120.1075 -362.0558      464.8551 197.1939       124.3292 74.01739 35.71103 77.02540 24.48186 -3.008011      43.29711 
1 1 1 -21 32 8  o 59.05613 23.48001 77.92377       121.6758 0.000000       0.000000 77.92377       121.6758 ?        ?        59.05613 23.48001 0.000000       23.48001 
1 1 1 -21 32 9  o 75.39314 24.70923 188.2554       126.0302 0.000000       0.000000 188.2554       126.0302 ?        ?        75.39314 24.70923 0.000000       24.70923 
1 1 1 -21 32 10 o 121.8852 18.16947 474.8716       125.9181 0.000000       0.000000 474.8716       125.9181 ?        ?        121.8852 18.16947 0.000000       18.16947 
1 1 1 -21 32 11 o 85.62469 22.62896 248.2900       115.3308 0.000000       0.000000 248.2900       115.3308 ?        ?        85.62469 22.62896 0.000000       22.62896 
1 1 1 -21 32 12 o 113.1947 20.56817 421.9313       131.5159 0.000000       0.000000 421.9313       131.5159 ?        ?        113.1947 20.56817 0.000000       20.56817 
1 1 1 -21 32 13 o 78.22988 23.82368 209.2938       119.1180 0.000000       0.000000 209.2938       119.1180 ?        ?        78.22988 23.82368 0.000000       23.82368 
1 1 1 -21 32 14 o 150.8844 17.79935 728.3015       154.4788 0.000000       0.000000 728.3015       154.4788 ?        ?        150.8844 17.79935 0.000000       17.79935 
1 1 1 -21 32 15 o 222.7210 12.24069 1515.240       159.2738 0.000000       0.000000 1515.240       159.2738 ?        ?        222.7210 12.24069 0.000000       12.24069 
1 1 1 -21 32 16 o 96.93217 21.77055 319.6239       120.7288 0.000000       0.000000 319.6239       120.7288 ?        ?        96.93217 21.77055 0.000000       21.77055 
1 1 1 -21 32 17 o 94.81503 22.35050 309.4232       122.2407 0.000000       0.000000 309.4232       122.2407 ?        ?        94.81503 22.35050 0.000000       22.35050 
1 1 1 -21 32 18 o 141.8490 15.59651 636.8369       127.6109 0.000000       0.000000 636.8369       127.6109 ?        ?        141.8490 15.59651 0.000000       15.59651 
1 1 1 -21 32 19 o 68.48680 25.20058 152.7000       133.0888 0.000000       0.000000 152.7000       133.0888 ?        ?        68.48680 25.20058 0.000000       25.20058 
1 1 1 -21 32 20 o 44.05127 20.44626 -71.10653      126.5575 0.000000       0.000000 -71.10653      126.5575 ?        ?        44.05127 20.44626 0.000000       20.44626 
1 1 1 -21 32 21 o 66.40505 24.97784 141.4926       132.1276 0.000000       0.000000 141.4926       132.1276 ?        ?        66.40505 24.97784 0.000000       24.97784 
1 1 1 -21 32 22 o 108.6905 21.64403 409.3094       133.1183 0.000000       0.000000 409.3094       133.1183 ?        ?        108.6905 21.64403 0.000000       21.64403 
1 1 1 -21 32 23 o 151.4364 16.28850 739.7377       142.3927 0.000000       0.000000 739.7377       142.3927 ?        ?        151.4364 16.28850 0.000000       16.28850 
1 1 1 -21 32 24 o 181.2507 14.66697 1041.582       154.5780 0.000000       0.000000 1041.582       154.5780 ?        ?        181.2507 14.66697 0.000000       14.66697 
1 1 1 -21 32 25 o 161.3366 17.03173 850.9777       158.7251 0.000000       0.000000 850.9777       158.7251 ?        ?        161.3366 17.03173 0.000000       17.03173 
1 1 1 -21 32 26 o 63.76815 26.40956 113.0223       161.4183 0.000000       0.000000 113.0223       161.4183 ?        ?        63.76815 26.40956 0.000000       26.40956 
1 1 1 -21 32 27 o 79.02544 27.76173 244.1158       159.3748 0.000000       0.000000 244.1158       159.3748 ?        ?        79.02544 27.76173 0.000000       27.76173 
1 1 1 -21 32 28 o 130.4777 23.93613 621.4168       176.4164 0.000000       0.000000 621.4168       176.4164 ?        ?        130.4777 23.93613 0.000000       23.93613 
1 1 1 -21 33 1  o 163.3033 13.63835 817.8681       129.4277 702.2016       408.6756 830.7627       136.4514 125.5602 44.42556 164.2357 14.30913 -38.67542      46.67313 
1 1 1 -21 33 2  o 116.1742 20.18136 439.2617       132.5157 1019.904       429.2484 378.0938       139.3209 151.7732 45.00260 106.0550 23.05822 45.71825       50.56595 
1 1 1 -21 33 3  o 67.73811 26.37836 122.8155       150.7984 0.000000       0.000000 122.8155       150.7984 ?        ?        67.73811 26.37836 0.000000       26.37836 
1 1 1 -21 33 4  o 155.2589 16.73799 756.8152       150.0034 395.2278       449.3948 802.1531       159.1298 102.9501 43.44782 159.5444 17.28231 -56.59432      46.75886 
1 1 1 -21 33 5  o 47.23288 21.21524 -32.56168      122.4319 -83.26694      457.4087 -28.64860      127.0684 81.30783 38.11076 48.46606 21.70321 32.84177       43.85725 
1 1 1 -21 33 6  o 137.5208 15.88517 592.1802       125.7658 478.6896       447.2873 601.9230       131.0529 107.2319 44.14178 138.3354 16.47681 -31.10352      47.11669 
1 1 1 -21 33 7  o 56.14561 23.11355 55.74519       122.6458 688.0062       443.7078 3.442314       127.6179 120.9099 45.70820 51.38992 22.43212 69.52000       50.91601 
1 1 1 -21 33 8  o 66.44235 24.44578 132.8029       125.2303 -47.00835      445.5969 148.2229       130.4896 81.01493 37.85710 69.03002 25.02257 11.98491       45.37939 
1 1 1 -21 33 9  o 77.28001 24.81721 203.6024       127.5044 0.000000       0.000000 203.6024       127.5044 ?        ?        77.28001 24.81721 0.000000       24.81721 
1 1 1 -21 33 10 o 130.0611 16.79941 537.3249       125.1519 0.000000       0.000000 537.3249       125.1519 ?        ?        130.0611 16.79941 0.000000       16.79941 
1 1 1 -21 33 11 o 144.2582 16.06621 656.3839       133.6228 0.000000       0.000000 656.3839       133.6228 ?        ?        144.2582 16.06621 0.000000       16.06621 
1 1 1 -21 33 12 o 134.4461 17.72417 580.2029       136.3533 0.000000       0.000000 580.2029       136.3533 ?        ?        134.4461 17.72417 0.000000       17.72417 
1 1 1 -21 33 13 f 111.6819 23.36691 428.8587       148.1262 0.000000       0.000000 428.8587       148.1262 ?        ?        111.6819 23.36691 0.000000       23.36691 
1 1 1 -21 33 14 o 121.8607 17.99773 480.8581       124.7614 0.000000       0.000000 480.8581       124.7614 ?        ?        121.8607 17.99773 0.000000       17.99773 
1 1 1 -21 33 15 o 261.2980 11.07178 2074.091       169.2850 0.000000       0.000000 2074.091       169.2850 ?        ?        261.2980 11.07178 0.000000       11.07178 
1 1 1 -21 33 16 o 133.4455 17.75788 576.4079       135.5314 0.000000       0.000000 576.4079       135.5314 ?        ?        133.4455 17.75788 0.000000       17.75788 
1 1 1 -21 33 17 o 99.59816 23.76631 350.5437       136.8834 0.000000       0.000000 350.5437       136.8834 ?        ?        99.59816 23.76631 0.000000       23.76631 
1 1 1 -21 33 18 f 84.91621 25.32399 262.2915       135.6157 0.000000       0.000000 262.2915       135.6157 ?        ?        84.91621 25.32399 0.000000       25.32399 
1 1 1 -21 33 19 o 82.45004 25.26001 247.8921       133.6527 0.000000       0.000000 247.8921       133.6527 ?        ?        82.45004 25.26001 0.000000       25.26001 
1 1 1 -21 33 20 o 97.37061 24.77814 345.8033       141.8257 0.000000       0.000000 345.8033       141.8257 ?        ?        97.37061 24.77814 0.000000       24.77814 
1 1 1 -21 33 21 o 159.1113 15.85886 811.8262       146.0182 0.000000       0.000000 811.8262       146.0182 ?        ?        159.1113 15.85886 0.000000       15.85886 
1 1 1 -21 33 22 o 155.8783 17.45651 794.7850       156.8478 0.000000       0.000000 794.7850       156.8478 ?        ?        155.8783 17.45651 0.000000       17.45651 
1 1 1 -21 33 23 o 61.41058 24.94323 103.2033       140.4705 0.000000       0.000000 103.2033       140.4705 ?        ?        61.41058 24.94323 0.000000       24.94323 
1 1 1 -21 33 24 o 57.46713 24.64672 59.78966       148.7168 0.000000       0.000000 59.78966       148.7168 ?        ?        57.46713 24.64672 0.000000       24.64672 
1 1 1 -21 33 25 o 167.0654 17.27848 918.3751       166.8540 0.000000       0.000000 918.3751       166.8540 ?        ?        167.0654 17.27848 0.000000       17.27848 
1 1 1 -21 33 26 o 147.4206 20.57256 749.4406       173.0301 0.000000       0.000000 749.4406       173.0301 ?        ?        147.4206 20.57256 0.000000       20.57256 
1 1 1 -21 34 1  o 142.1222 17.62068 643.7383       143.7270 1793.460       459.6645 519.1524       151.3140 212.1309 38.35923 125.1495 21.38318 86.98138       43.91663 
1 1 1 -21 34 2  o 129.8465 22.17729 562.9148       162.8248 907.5936       425.6575 503.8345       176.2278 138.2243 45.41599 120.1824 25.77564 18.04185       52.22064 
1 1 1 -21 34 3  o 161.1575 28.10978 919.6918       256.0234 522.3781       423.5169 1148.504       321.3985 108.1911 43.53728 175.7268 32.37835 -67.53571      54.25728 
1 1 1 -21 34 4  o 160.8289 14.72653 804.3171       137.3640 713.1517       406.0758 816.0969       145.9691 122.8117 44.19175 161.4526 15.61026 -38.64087      46.86781 
1 1 1 -21 34 5  o 41.29355 19.66389 -135.9317      131.0716 345.8808       403.7464 -192.6919      138.5771 96.56058 40.98608 39.73976 19.25164 56.82082       45.28227 
1 1 1 -21 34 6  o 105.2903 22.36302 375.7806       133.8237 1276.212       410.6989 268.8219       141.5489 173.2559 41.05207 87.23338 25.83676 86.02256       48.50578 
1 1 1 -21 34 7  o 216.1992 11.54807 1420.575       145.8934 1046.963       414.6157 1473.372       155.8613 150.5439 44.12185 219.7882 12.13873 -69.24429      45.76118 
1 1 1 -21 34 8  o 138.9991 18.74900 625.4189       148.9473 0.000000       0.000000 625.4189       148.9473 ?        ?        138.9991 18.74900 0.000000       18.74900 
1 1 1 -21 34 9  o 133.3483 17.92558 572.2923       136.6406 633.4463       437.4106 565.6793       143.8390 113.5157 44.71167 131.7526 19.17763 -18.23691      48.65096 
1 1 1 -21 34 10 o 65.37172 25.09197 123.8722       135.0046 0.000000       0.000000 123.8722       135.0046 ?        ?        65.37172 25.09197 0.000000       25.09197 
1 1 1 -21 34 11 o 151.0284 17.08476 728.7780       148.6735 0.000000       0.000000 728.7780       148.6735 ?        ?        151.0284 17.08476 0.000000       17.08476 
1 1 1 -21 34 12 o 76.20765 25.06881 202.3320       129.6763 0.000000       0.000000 202.3320       129.6763 ?        ?        76.20765 25.06881 0.000000       25.06881 
1 1 1 -21 34 13 o 75.67801 24.58211 199.7090       124.8744 0.000000       0.000000 199.7090       124.8744 ?        ?        75.67801 24.58211 0.000000       24.58211 
1 1 1 -21 34 14 o 109.5707 21.43589 408.7688       132.8128 0.000000       0.000000 408.7688       132.8128 ?        ?        109.5707 21.43589 0.000000       21.43589 
1 1 1 -21 34 15 o 77.52276 25.06894 214.2134       129.9546 0.000000       0.000000 214.2134       129.9546 ?        ?        77.52276 25.06894 0.000000       25.06894 
1 1 1 -21 34 16 o 140.5937 17.54300 642.1353       141.5119 0.000000       0.000000 642.1353       141.5119 ?        ?        140.5937 17.54300 0.000000       17.54300 
1 1 1 -21 34 17 o 47.26577 21.66560 -48.43661      135.8701 0.000000       0.000000 -48.43661      135.8701 ?        ?        47.26577 21.66560 0.000000       21.66560 
1 1 1 -21 34 18 o 120.2519 22.62139 505.1490       153.6832 0.000000       0.000000 505.1490       153.6832 ?        ?        120.2519 22.62139 0.000000       22.62139 
1 1 1 -21 34 19 o 120.6714 22.52614 509.3151       153.5578 0.000000       0.000000 509.3151       153.5578 ?        ?        120.6714 22.52614 0.000000       22.52614 
1 1 1 -21 34 20 f 89.08472 27.16998 304.1942       154.8540 0.000000       0.000000 304.1942       154.8540 ?        ?        89.08472 27.16998 0.000000       27.16998 
1 1 1 -21 34 21 o 55.53114 24.50617 24.89269       156.1219 0.000000       0.000000 24.89269       156.1219 ?        ?        55.53114 24.50617 0.000000       24.50617 
1 1 1 -21 34 22 o 42.97676 20.60337 -145.1045      149.1320 0.000000       0.000000 -145.1045      149.1320 ?        ?        42.97676 20.60337 0.000000       20.60337 
1 1 1 -21 34 23 o 84.35896 32.58761 302.1507       228.7427 0.000000       0.000000 302.1507       228.7427 ?        ?        84.35896 32.58761 0.000000       32.58761 
1 1 1 -21 34 24 o 139.5452 22.26325 687.3690       176.0839 0.000000       0.000000 687.3690       176.0839 ?        ?        139.5452 22.26325 0.000000       22.26325 
1 1 1 -21 34 25 o 70.35448 28.01296 175.0513       173.4368 0.000000       0.000000 175.0513       173.4368 ?        ?        70.35448 28.01296 0.000000       28.01296 
1 1 1 -21 35 1  o 144.3384 20.57805 686.5977       169.2683 757.9818       438.1723 674.0764       183.5144 122.6305 45.61588 141.1872 22.95024 -18.55663      51.06390 
1 1 1 -21 35 2  o 157.5926 18.45316 800.4266       167.3262 1076.187       414.9333 746.8742       182.8531 152.2813 43.99797 149.9424 21.39993 2.338867       48.92626 
1 1 1 -21 35 3  o 130.1798 19.46409 554.3318       144.0481 1221.628       418.3075 464.5557       153.4323 165.2184 42.82240 116.4579 23.27894 48.76051       48.74081 
1 1 1 -21 35 4  o 121.6600 19.21738 484.3028       132.5695 752.2936       395.9262 450.4635       140.6906 124.6226 43.75847 115.7865 21.51004 8.836014       48.75947 
1 1 1 -21 35 5  o 120.7542 19.21037 477.6118       131.4942 1051.524       396.1623 406.5551       139.3969 151.8167 42.70971 109.1412 22.52500 42.67545       48.28556 
1 1 1 -21 35 6  o 118.5080 29.95142 527.9358       208.2313 792.3148       391.5547 423.6790       245.8845 127.7883 43.58291 102.2513 34.54099 25.53697       55.61070 
1 1 1 -21 35 7  o 71.18287 25.11433 168.8086       130.5300 677.7150       393.4558 105.8716       138.3661 117.4972 43.31344 63.25337 25.07412 54.24385       50.04763 
1 1 1 -21 35 8  o 82.59123 25.32689 242.5656       134.3217 629.9944       410.8838 196.2068       142.1310 112.4766 43.61406 75.41369 26.23605 37.06290       50.89711 
1 1 1 -21 35 9  o 57.17322 23.98452 56.46945       135.6564 0.000000       0.000000 56.46945       135.6564 ?        ?        57.17322 23.98452 0.000000       23.98452 
1 1 1 -21 35 10 o 110.7486 20.86089 413.7720       130.5250 652.7985       443.6541 391.1223       136.5692 111.1838 44.62316 106.4318 22.57945 4.751945       50.01058 
1 1 1 -21 35 11 o 59.23312 24.55979 73.10223       139.8226 0.000000       0.000000 73.10223       139.8226 ?        ?        59.23312 24.55979 0.000000       24.55979 
1 1 1 -21 35 12 o 80.34417 26.35102 234.1639       143.3235 0.000000       0.000000 234.1639       143.3235 ?        ?        80.34417 26.35102 0.000000       26.35102 
1 1 1 -21 35 13 o 119.2121 21.09138 482.7017       142.0662 0.000000       0.000000 482.7017       142.0662 ?        ?        119.2121 21.09138 0.000000       21.09138 
1 1 1 -21 35 14 o 151.0305 17.17656 738.1872       149.4429 0.000000       0.000000 738.1872       149.4429 ?        ?        151.0305 17.17656 0.000000       17.17656 
1 1 1 -21 35 15 o 110.8304 22.07499 426.6462       138.4432 0.000000       0.000000 426.6462       138.4432 ?        ?        110.8304 22.07499 0.000000       22.07499 
1 1 1 -21 35 16 o 62.25750 25.16510 104.5563       142.1910 0.000000       0.000000 104.5563       142.1910 ?        ?        62.25750 25.16510 0.000000       25.16510 
1 1 1 -21 35 17 f 59.20639 24.96075 71.68159       148.0737 0.000000       0.000000 71.68159       148.0737 ?        ?        59.20639 24.96075 0.000000       24.96075 
1 1 1 -21 35 18 o 74.71564 27.39226 203.0239       157.0141 0.000000       0.000000 203.0239       157.0141 ?        ?        74.71564 27.39226 0.000000       27.39226 
1 1 1 -21 35 19 o 57.33812 25.16148 37.54005       162.4509 0.000000       0.000000 37.54005       162.4509 ?        ?        57.33812 25.16148 0.000000       25.16148 
1 1 1 -21 35 20 o 77.10549 28.41354 227.0289       169.2919 0.000000       0.000000 227.0289       169.2919 ?        ?        77.10549 28.41354 0.000000       28.41354 
1 1 1 -21 35 21 o 81.06902 29.03391 261.0363       175.0515 0.000000       0.000000 261.0363       175.0515 ?        ?        81.06902 29.03391 0.000000       29.03391 
1 1 1 -21 35 22 o 46.11442 22.29324 -189.5515      183.3924 0.000000       0.000000 -189.5515      183.3924 ?        ?        46.11442 22.29324 0.000000       22.29324 
1 1 1 -21 35 23 o 54.47129 25.01008 -24.73784      182.0823 0.000000       0.000000 -24.73784      182.0823 ?        ?        54.47129 25.01008 0.000000       25.01008 
1 1 1 -21 36 1  o 73.92773 27.24706 183.6378       155.6879 519.9717       396.4804 122.3230       169.2853 104.5941 42.11248 67.64813 27.41687 36.94598       50.25083 
1 1 1 -21 36 2  f 203.7401 13.69653 1287.065       162.7072 1297.548       420.5440 1285.220       176.4485 168.7583 42.51685 202.5455 14.95962 -33.78719      45.07186 
1 1 1 -21 36 3  o 110.6900 25.25611 436.5759       160.3225 878.6354       408.7040 356.1830       174.2920 131.6396 44.53192 97.31622 28.62990 34.32333       52.94113 
1 1 1 -21 36 4  o 132.6084 22.30413 598.8229       167.3124 0.000000       0.000000 598.8229       167.3124 ?        ?        132.6084 22.30413 0.000000       22.30413 
1 1 1 -21 36 5  f 134.3309 18.84107 591.3934       144.3582 -371.9813      394.2003 740.5970       155.1348 64.37234 31.47014 151.3092 17.82365 -86.93681      36.16700 
1 1 1 -21 36 6  o 110.9193 23.68652 430.9035       149.3985 0.000000       0.000000 430.9035       149.3985 ?        ?        110.9193 23.68652 0.000000       23.68652 
1 1 1 -21 36 7  o 133.0187 19.33294 584.5321       146.4085 129.4728       391.0785 658.7062       157.8905 81.25231 37.05919 141.0919 19.61045 -59.83962      41.92795 
1 1 1 -21 36 8  o 67.33698 25.95110 139.9684       144.8164 236.9612       420.5490 126.9200       154.2502 86.92937 39.15905 66.45676 26.43212 20.47260       47.24498 
1 1 1 -21 36 9  o 72.77541 26.25482 182.5728       143.4419 630.4375       449.7490 131.8565       151.3459 107.6391 44.28141 66.71707 26.29366 40.92207       51.49952 
1 1 1 -21 36 10 o 118.4883 21.10919 477.6419       141.3100 222.8913       460.1239 504.1718       148.4858 86.63319 39.76978 121.3764 21.65369 -34.74326      45.28264 
1 1 1 -21 36 11 o 67.36208 25.95556 143.2728       144.8454 52.74044       462.2395 153.1303       152.5273 79.95863 37.73633 69.00958 26.62318 10.94905       46.18251 
1 1 1 -21 36 12 o 89.20109 26.38775 297.5075       147.7229 -388.3893      467.1017 373.7325       155.7151 67.74034 33.34625 100.2990 26.19232 -32.55861      42.40295 
1 1 1 -21 36 13 f 86.57628 26.97200 283.0202       151.6350 0.000000       0.000000 283.0202       151.6350 ?        ?        86.57628 26.97200 0.000000       26.97200 
1 1 1 -21 36 14 o 121.7786 23.02486 521.5950       158.4212 0.000000       0.000000 521.5950       158.4212 ?        ?        121.7786 23.02486 0.000000       23.02486 
1 1 1 -21 36 15 o 96.47575 26.69905 352.5278       156.1879 0.000000       0.000000 352.5278       156.1879 ?        ?        96.47575 26.69905 0.000000       26.69905 
1 1 1 -21 36 16 o 55.22185 24.36299 22.80443       154.2025 0.000000       0.000000 22.80443       154.2025 ?        ?        55.22185 24.36299 0.000000       24.36299 
1 1 1 -21 36 17 o 91.68142 29.53389 340.1540       180.4795 0.000000       0.000000 340.1540       180.4795 ?        ?        91.68142 29.53389 0.000000       29.53389 
1 1 1 -21 36 18 o 49.18979 23.16391 -98.29420      172.4398 0.000000       0.000000 -98.29420      172.4398 ?        ?        49.18979 23.16391 0.000000       23.16391 
1 1 1 -21 36 19 o 139.2595 22.13471 681.1296       174.7365 0.000000       0.000000 681.1296       174.7365 ?        ?        139.2595 22.13471 0.000000       22.13471 
1 1 1 -21 36 20 o 89.17170 29.93778 328.9406       184.7230 0.000000       0.000000 328.9406       184.7230 ?        ?        89.17170 29.93778 0.000000       29.93778 
1 1 1 -21 36 21 o 81.41934 30.71900 274.1075       200.1866 0.000000       0.000000 274.1075       200.1866 ?        ?        81.41934 30.71900 0.000000       30.71900 
1 1 1 -21 37 1  o 104.9515 26.49829 405.4074       163.1022 730.1350       414.2859 345.8439       177.4314 116.4991 44.13818 94.82334 29.11451 21.67577       52.87564 
1 1 1 -21 37 2  o 72.91200 27.83882 177.8646       165.5981 196.6308       390.6971 173.7550       182.8337 83.79659 37.74611 73.22903 28.88749 10.56757       47.53163 
1 1 1 -21 37 3  o 125.3868 24.27804 555.3849       172.0799 917.7189       392.7269 469.2912       191.4353 134.1725 43.59496 110.6581 29.11156 23.51440       52.42140 
1 1 1 -21 37 4  o 129.4802 21.50063 571.1629       157.5455 441.2299       380.9049 597.9781       173.0404 97.05688 40.41406 130.9259 23.39435 -33.86904      46.69681 
1 1 1 -21 37 5  o 90.47525 27.16717 307.3322       155.6704 119.2921       384.0803 344.2942       170.2840 79.53444 36.44561 94.82872 28.39980 -15.29428      46.20424 
1 1 1 -21 37 6  o 58.44316 24.72931 62.23837       146.2107 259.8706       395.7890 31.00562       157.3403 86.33816 38.50771 56.91917 24.87544 29.41899       45.84355 
1 1 1 -21 37 7  o 72.71844 26.92376 183.0960       152.3168 1046.776       416.9596 50.09193       163.6252 140.7470 44.84505 59.27741 25.64103 81.46956       51.65792 
1 1 1 -21 37 8  o 86.26309 27.10835 280.1045       152.8307 -202.5493      421.2299 353.2719       164.0062 69.66064 33.70291 96.37221 27.60487 -26.71157      43.56507 
1 1 1 -21 37 9  o 107.5468 24.20213 415.0461       148.9528 -130.4429      418.2729 494.2704       159.4028 71.46288 34.32400 117.9674 23.86078 -46.50452      41.80280 
1 1 1 -21 37 10 o 85.91135 30.59941 291.5622       194.1685 1118.265       443.0394 95.02178       216.0198 141.3270 46.32849 67.62048 29.35488 73.70655       54.84558 
1 1 1 -21 37 11 o 54.65359 24.32566 7.888013       157.1001 631.2726       457.7289 -75.35047      167.2601 104.2612 43.91665 50.26223 23.38895 53.99901       49.75656 
1 1 1 -21 37 12 o 76.51044 27.64839 216.0012       159.1552 94.43921       469.4393 231.7885       169.1746 80.15885 37.89055 78.52797 28.48759 1.630882       47.40503 
1 1 1 -21 37 13 o 68.02070 26.91076 148.2066       159.0863 463.0592       481.1609 109.5637       168.5664 93.82835 42.10788 64.60284 26.89142 29.22551       49.96221 
1 1 1 -21 37 14 o 112.7006 26.06970 475.3541       168.8821 0.000000       0.000000 475.3541       168.8821 ?        ?        112.7006 26.06970 0.000000       26.06970 
1 1 1 -21 37 15 o 292.4647 13.48706 2680.454       230.7121 0.000000       0.000000 2680.454       230.7121 ?        ?        292.4647 13.48706 0.000000       13.48706 
1 1 1 -21 37 16 o 91.99564 30.75966 353.6003       195.0264 0.000000       0.000000 353.6003       195.0264 ?        ?        91.99564 30.75966 0.000000       30.75966 
1 1 1 -21 37 17 o 96.11674 31.95036 397.7989       210.4742 0.000000       0.000000 397.7989       210.4742 ?        ?        96.11674 31.95036 0.000000       31.95036 
1 1 1 -21 37 18 o 94.15305 30.98861 376.2272       198.1414 0.000000       0.000000 376.2272       198.1414 ?        ?        94.15305 30.98861 0.000000       30.98861 
1 1 1 -21 37 19 o 63.78098 27.31776 100.5506       182.2429 0.000000       0.000000 100.5506       182.2429 ?        ?        63.78098 27.31776 0.000000       27.31776 
1 1 1 -21 38 1  o 123.4418 23.96863 539.5951       167.2651 1256.982       438.6767 417.5544       180.9340 155.7710 45.30835 104.0448 28.71428 51.72618       53.64100 
1 1 1 -21 38 2  o 61.37950 26.41376 64.44997       171.8963 216.3419       399.5932 29.95926       190.4153 83.95342 37.96185 60.60103 26.88783 23.35239       46.51943 
1 1 1 -21 38 3  o 156.0891 19.81326 813.7437       177.2946 1492.454       392.9223 640.2311       198.6689 186.9442 37.14737 132.0779 26.56918 54.86629       45.67109 
1 1 1 -21 38 4  o 228.3368 15.66767 1658.328       208.5407 0.000000       0.000000 1658.328       208.5407 ?        ?        228.3368 15.66767 0.000000       15.66767 
1 1 1 -21 38 5  o 66.53287 26.74158 130.1476       159.5757 31.47490       390.9037 149.8792       174.8042 75.35162 35.29081 69.60953 27.98492 5.742096       45.03995 
1 1 1 -21 38 6  o 98.51862 27.22903 369.0791       162.5674 641.0380       396.7580 314.2090       178.2141 108.0743 42.57871 89.31987 29.38861 18.75443       51.73623 
1 1 1 -21 38 7  o 86.08200 27.46896 283.4732       156.3935 751.7991       373.1521 183.6788       172.2522 118.3794 42.39090 72.91637 28.24864 45.46300       50.94089 
1 1 1 -21 38 8  o 43.65166 21.06436 -180.0760      161.9146 -30.31563      369.9024 -215.5711      180.0832 71.22685 33.65825 44.94774 21.81488 26.27911       40.10944 
1 1 1 -21 38 9  o 47.11757 21.96234 -75.95100      148.4589 -17.23991      353.0592 -88.56171      163.6279 70.49822 33.18171 48.72221 22.82335 21.77602       40.27321 
1 1 1 -21 38 10 o 49.67279 22.97866 -58.13117      157.8581 -173.5704      332.3631 -24.50423      179.3824 63.14871 30.39884 54.85140 25.04874 8.297310       39.38946 
1 1 1 -21 38 11 o 92.59773 27.64493 334.5674       161.5449 -119.6041      354.3142 453.7568       181.5087 66.43055 31.82342 107.6392 28.36075 -41.20869      42.62701 
1 1 1 -21 38 12 o 59.27839 25.22233 71.32761       153.5377 -384.2458      389.0767 155.3575       167.0987 61.23278 30.19856 68.90581 27.47647 -7.673027      40.82780 
1 1 1 -21 38 13 o 79.54139 32.62439 244.9223       243.1838 0.000000       0.000000 244.9223       243.1838 ?        ?        79.54139 32.62439 0.000000       32.62439 
1 1 1 -21 38 14 o 130.1719 28.56875 659.6450       212.1035 149.6311       466.9781 792.2100       238.0784 80.16640 37.86309 141.7976 29.58681 -61.63118      48.05198 
1 1 1 -21 38 15 o 57.98854 25.91861 25.20999       180.3120 0.000000       0.000000 25.20999       180.3120 ?        ?        57.98854 25.91861 0.000000       25.91861 
1 1 1 -21 38 16 o 107.4596 32.01368 499.0934       216.8165 0.000000       0.000000 499.0934       216.8165 ?        ?        107.4596 32.01368 0.000000       32.01368 
1 1 1 -21 39 1  o 77.15468 28.80527 221.1896       175.0383 369.7754       436.3657 192.6972       191.0851 90.16532 40.30896 74.33500 29.46645 15.83032       49.93079 
1 1 1 -21 39 2  o 113.3816 27.09569 486.3098       177.7128 500.9702       406.4792 482.8453       197.5983 97.31281 41.20712 110.0164 29.86522 -12.70358      50.89163 
1 1 1 -21 39 3  o 110.3618 27.19338 462.9614       174.8497 307.3087       372.7052 506.8863       197.9897 86.38281 38.00245 113.1801 29.52389 -26.79728      48.12324 
1 1 1 -21 39 4  o 151.8618 18.58422 765.4806       162.0721 1155.160       386.1761 682.1705       178.5583 152.8031 41.86285 139.6091 22.57834 13.19392       47.56343 
1 1 1 -21 39 5  o 69.65318 27.04441 163.1726       158.1461 318.1424       368.2143 128.1199       175.1207 86.68254 37.96433 66.84502 27.57882 19.83752       46.92421 
1 1 1 -21 39 6  o 155.0773 18.43402 797.6212       164.3790 1570.647       367.0746 603.7216       183.8424 196.1626 33.08277 128.4210 25.30986 67.74161       41.65403 
1 1 1 -21 39 7  o 59.81003 25.52636 70.94939       158.1083 -154.8691      316.5085 146.0374       182.5117 62.43121 29.95251 68.89859 28.26160 -6.467384      41.18095 
1 1 1 -21 39 8  o 65.12623 26.41513 125.2065       157.2801 469.1337       289.3502 -19.02533      187.3791 98.65771 36.99411 56.07483 25.60497 42.58288       44.99087 
1 1 1 -21 39 9  o 63.61447 25.95189 114.5785       152.8568 424.6761       289.9268 -4.802273      179.8897 94.50532 36.63880 56.09374 25.40702 38.41158       44.58608 
1 1 1 -21 39 10 o 75.25970 26.98658 211.5087       151.2844 80.04557       287.2922 261.9496       177.9563 70.28477 31.94263 81.40007 29.25911 -11.11530      43.31774 
1 1 1 -21 39 11 o 143.0922 20.46392 701.6321       166.8493 580.1478       307.6481 752.2538       198.5922 106.7588 38.45858 144.1469 24.35824 -37.38812      45.52347 
1 1 1 -21 39 12 o 79.26492 28.23497 246.1989       165.3248 -294.3094      326.9868 431.8214       191.6215 58.21915 28.50418 102.3007 29.99877 -44.08154      41.38133 
1 1 1 -21 40 1  o 76.34280 29.38040 216.8161       185.4334 205.9416       428.7234 219.3187       205.6664 82.02316 37.91740 76.94260 30.54757 5.080559       48.69172 
1 1 1 -21 40 2  o 95.94172 30.79145 381.7368       196.3026 11.98627       430.8316 478.6101       220.5236 74.98883 35.69292 105.8374 32.45089 -30.84862      48.23945 
1 1 1 -21 40 3  o 71.46558 27.95703 177.2887       170.0147 -168.0040      394.9583 255.8230       188.3593 67.41586 32.62122 80.63012 29.92406 -13.21426      44.26729 
1 1 1 -21 40 4  o 89.26615 27.71417 312.5770       160.2467 42.50824       358.4818 380.0192       179.1413 72.48875 33.89989 97.18182 29.13473 -24.69307      44.69938 
1 1 1 -21 40 5  f 78.71110 27.68850 238.2279       158.5725 -150.0229      327.3282 357.2868       181.2626 63.11951 30.32893 93.66444 29.53443 -30.54493      42.33351 
1 1 1 -21 40 6  o 114.9554 24.80722 486.9918       162.3342 128.2955       340.9377 592.1526       184.6030 75.08981 34.38226 126.0306 25.84360 -50.94077      43.01199 
1 1 1 -21 40 7  o 170.9125 17.40628 961.5115       172.0417 1148.520       345.1765 899.7001       198.4476 158.0273 37.76097 160.8072 21.58689 -2.779892      43.49581 
1 1 1 -20 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  2  o 261.1736 19.13936 2040.313       289.4656 2040.313       289.4656 2040.313       289.4656 261.1736 19.13936 261.1736 19.13936 -0.000000      0.000000 
1 1 1 -20 0  3  o 123.2606 39.19868 568.0834       249.3945 568.0834       249.3945 568.0834       249.3945 123.2606 39.19868 123.2606 39.19868 -0.000000      0.000000 
1 1 1 -20 0  4  o 573.7315 15.96073 9703.286       536.1067 9703.286       536.1067 9703.286       536.1067 573.7315 15.96073 573.7315 15.96073 0.000000       0.000000 
1 1 1 -20 0  5  o 455.1104 14.39267 6106.821       383.2860 6106.821       383.2860 6106.821       383.2860 455.1104 14.39267 455.1104 14.39267 -0.000000      0.000000 
1 1 1 -20 0  6  o 242.0171 17.65825 1751.259       247.5053 1751.259       247.5053 1751.259       247.5053 242.0171 17.65825 242.0171 17.65825 0.000000       0.000000 
1 1 1 -20 0  7  o 433.6689 14.04599 5546.052       356.3912 5546.052       356.3912 5546.052       356.3912 433.6689 14.04599 433.6689 14.04599 -0.000000      0.000000 
1 1 1 -20 0  8  o 120.4780 32.81793 514.3495       200.4239 514.3495       200.4239 514.3495       200.4239 120.4780 32.81793 120.4780 32.81793 0.000000       0.000000 
1 1 1 -20 0  9  o 360.3091 13.76895 3833.583       289.9892 3833.583       289.9892 3833.583       289.9892 360.3091 13.76895 360.3091 13.76895 -0.000000      0.000000 
1 1 1 -20 0  10 o 30.68995 21.92055 -266.7895      178.0641 -266.7895      178.0641 -266.7895      178.0641 30.68995 21.92055 30.68995 21.92055 -0.000000      0.000000 
1 1 1 -20 0  11 o 30.77003 21.94654 -256.3783      176.0523 -256.3783      176.0523 -256.3783      176.0523 30.77003 21.94654 30.77003 21.94654 -0.000000      0.000000 
1 1 1 -20 0  12 o 40.16634 26.88331 -61.36356      175.5941 -61.36356      175.5941 -61.36356      175.5941 40.16634 26.88331 40.16634 26.88331 -0.000000      0.000000 
1 1 1 -20 0  13 o 173.6137 19.60640 922.7750       193.0843 922.7750       193.0843 922.7750       193.0843 173.6137 19.60640 173.6137 19.60640 0.000000       0.000000 
1 1 1 -20 0  14 o 36.76373 24.89689 -77.99063      159.1750 -77.99063      159.1750 -77.99063      159.1750 36.76373 24.89689 36.76373 24.89689 -0.000000      0.000000 
1 1 1 -20 0  15 o 382.2741 13.22317 4315.242       295.6513 4315.242       295.6513 4315.242       295.6513 382.2741 13.22317 382.2741 13.22317 0.000000       0.000000 
1 1 1 -20 0  16 o 130.6798 24.70588 556.3408       169.6278 556.3408       169.6278 556.3408       169.6278 130.6798 24.70588 130.6798 24.70588 0.000000       0.000000 
1 1 1 -20 0  17 o 411.3861 13.40265 4998.283       322.5851 4998.283       322.5851 4998.283       322.5851 411.3861 13.40265 411.3861 13.40265 -0.000000      0.000000 
1 1 1 -20 0  18 o 56.25262 31.06163 132.0148       149.2572 132.0148       149.2572 132.0148       149.2572 56.25262 31.06163 56.25262 31.06163 -0.000000      0.000000 
1 1 1 -20 0  19 o 76.50130 33.85104 252.4126       159.8609 252.4126       159.8609 252.4126       159.8609 76.50130 33.85104 76.50130 33.85104 -0.000000      0.000000 
1 1 1 -20 0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  21 o 27.57047 19.67194 -207.1855      141.9656 -207.1855      141.9656 -207.1855      141.9656 27.57047 19.67194 27.57047 19.67194 -0.000000      0.000000 
1 1 1 -20 0  22 o 366.7852 13.01636 3976.957       279.1953 3976.957       279.1953 3976.957       279.1953 366.7852 13.01636 366.7852 13.01636 0.000000       0.000000 
1 1 1 -20 0  23 o 439.1880 13.57718 5698.922       348.9546 5698.922       348.9546 5698.922       348.9546 439.1880 13.57718 439.1880 13.57718 -0.000000      0.000000 
1 1 1 -20 0  24 f 196.3383 16.67602 1162.463       188.7106 1162.463       188.7106 1162.463       188.7106 196.3383 16.67602 196.3383 16.67602 -0.000000      0.000000 
1 1 1 -20 0  25 o 90.37477 33.99920 329.5614       168.4725 329.5614       168.4725 329.5614       168.4725 90.37477 33.99920 90.37477 33.99920 0.000000       0.000000 
1 1 1 -20 0  26 o 112.0355 28.01144 436.4293       159.2230 436.4293       159.2230 436.4293       159.2230 112.0355 28.01144 112.0355 28.01144 -0.000000      0.000000 
1 1 1 -20 0  27 o 235.4547 14.76968 1655.689       202.0912 1655.689       202.0912 1655.689       202.0912 235.4547 14.76968 235.4547 14.76968 -0.000000      0.000000 
1 1 1 -20 0  28 o 53.71927 30.29855 117.8413       145.7031 117.8413       145.7031 117.8413       145.7031 53.71927 30.29855 53.71927 30.29855 -0.000000      0.000000 
1 1 1 -20 0  29 o 396.2043 13.12507 4648.882       304.2208 4648.882       304.2208 4648.882       304.2208 396.2043 13.12507 396.2043 13.12507 0.000000       0.000000 
1 1 1 -20 0  30 o 313.3436 13.26187 2915.704       242.7162 2915.704       242.7162 2915.704       242.7162 313.3436 13.26187 313.3436 13.26187 0.000000       0.000000 
1 1 1 -20 0  31 o 34.56673 23.53519 -77.40781      146.2024 -77.40781      146.2024 -77.40781      146.2024 34.56673 23.53519 34.56673 23.53519 -0.000000      0.000000 
1 1 1 -20 0  32 o 218.7335 15.02836 1438.198       190.6623 1438.198       190.6623 1438.198       190.6623 218.7335 15.02836 218.7335 15.02836 0.000000       0.000000 
1 1 1 -20 0  33 o 48.58916 29.01507 82.35552       146.2839 82.35552       146.2839 82.35552       146.2839 48.58916 29.01507 48.58916 29.01507 -0.000000      0.000000 
1 1 1 -20 0  34 o 259.7974 13.52843 2019.319       204.8425 2019.319       204.8425 2019.319       204.8425 259.7974 13.52843 259.7974 13.52843 -0.000000      0.000000 
1 1 1 -20 0  35 f 62.94257 31.18621 184.0412       138.6483 184.0412       138.6483 184.0412       138.6483 62.94257 31.18621 62.94257 31.18621 0.000000       0.000000 
1 1 1 -20 0  36 f 30.97268 21.31924 -81.86683      127.4674 -81.86683      127.4674 -81.86683      127.4674 30.97268 21.31924 30.97268 21.31924 -0.000000      0.000000 
1 1 1 -20 0  37 o 55.42651 30.73542 141.9994       146.8454 141.9994       146.8454 141.9994       146.8454 55.42651 30.73542 55.42651 30.73542 -0.000000      0.000000 
1 1 1 -20 0  38 o 30.77673 21.48367 -120.0111      141.6121 -120.0111      141.6121 -120.0111      141.6121 30.77673 21.48367 30.77673 21.48367 -0.000000      0.000000 
1 1 1 -20 0  39 o 105.5990 28.29671 414.3531       151.4180 414.3531       151.4180 414.3531       151.4180 105.5990 28.29671 105.5990 28.29671 0.000000       0.000000 
1 1 1 -20 0  40 o 42.88034 27.30092 39.86140       150.9776 39.86140       150.9776 39.86140       150.9776 42.88034 27.30092 42.88034 27.30092 -0.000000      0.000000 
1 1 1 -20 0  41 o 179.9070 17.27524 1015.709       178.1657 1015.709       178.1657 1015.709       178.1657 179.9070 17.27524 179.9070 17.27524 -0.000000      0.000000 
1 1 1 -20 0  42 o 56.83156 32.33109 161.4553       167.8317 161.4553       167.8317 161.4553       167.8317 56.83156 32.33109 56.83156 32.33109 0.000000       0.000000 
1 1 1 -20 0  43 o 28.62560 20.22592 -141.9287      137.5785 -141.9287      137.5785 -141.9287      137.5785 28.62560 20.22592 28.62560 20.22592 0.000000       0.000000 
1 1 1 -20 0  44 o 79.88468 34.01167 306.8931       161.9572 306.8931       161.9572 306.8931       161.9572 79.88468 34.01167 79.88468 34.01167 0.000000       0.000000 
1 1 1 -20 0  45 f 146.2190 20.35959 708.1308       164.9198 708.1308       164.9198 708.1308       164.9198 146.2190 20.35959 146.2190 20.35959 0.000000       0.000000 
1 1 1 -20 0  46 o 82.33901 34.52269 329.2032       167.3150 329.2032       167.3150 329.2032       167.3150 82.33901 34.52269 82.33901 34.52269 0.000000       0.000000 
1 1 1 -20 1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 1  2  o 352.5688 21.52661 3696.499       442.9911 0.000000       0.000000 3696.499       442.9911 ?        ?        352.5688 21.52661 0.000000       21.52661 
1 1 1 -20 1  3  o 297.6086 13.42124 2613.164       233.6521 2458.911       289.6008 2900.817       395.4747 288.0964 17.21858 312.1072 21.74144 -24.01077      27.73392 
1 1 1 -20 1  4  o 780.9061 13.60287 17959.19       622.9883 18383.77       897.3675 17564.18       865.5696 788.3318 19.40934 770.6472 19.15120 17.68457       27.26703 
1 1 1 -20 1  5  o 448.0333 10.36234 5901.392       272.2819 5830.583       380.9820 5975.321       389.2816 444.5351 14.63323 449.9987 14.77036 -5.463623      20.79170 
1 1 1 -20 1  6  o 310.0685 10.71181 2830.588       194.4994 2676.294       265.2730 3009.968       286.0251 300.8895 15.08072 319.0984 15.32855 -18.20895      21.50331 
1 1 1 -20 1  7  o 110.3476 23.84709 375.8369       149.8193 269.4041       207.9305 490.7506       216.0561 96.46257 31.74467 125.5018 29.80064 -29.03928      43.54081 
1 1 1 -20 1  8  o 170.5496 14.82073 864.3093       146.7714 859.7001       209.5316 868.7495       205.6549 168.8405 21.65853 169.8585 21.09769 -1.018051      30.23582 
1 1 1 -20 1  9  o 378.6933 9.619081 4218.918       213.4617 4298.489       302.3526 4139.842       301.4106 381.6504 13.52960 374.4937 13.74678 7.156616       19.28793 
1 1 1 -20 1  10 o 238.9758 10.93709 1684.081       152.8809 1649.513       209.6085 1723.371       223.4690 235.8835 15.23313 241.0130 15.89859 -5.129532      22.01848 
1 1 1 -20 1  11 o 201.2488 12.32131 1197.714       144.7285 1077.610       202.3203 1323.582       207.1182 189.8307 18.40343 210.8537 16.89005 -21.02298      24.97919 
1 1 1 -20 1  12 o 128.0419 17.30931 494.0760       126.6558 663.7864       174.0551 303.0743       184.6507 148.0542 20.60283 99.42959 29.52461 48.62466       36.00249 
1 1 1 -20 1  13 f 515.9178 10.25740 7834.180       310.3618 8123.101       448.5920 7568.903       429.8439 524.1494 14.60729 505.9700 14.50052 18.17941       20.58247 
1 1 1 -20 1  14 o 404.6534 9.353740 4817.294       221.9826 4924.442       314.7793 4711.294       313.0892 408.2700 13.16365 399.2758 13.38934 8.994202       18.77648 
1 1 1 -20 1  15 o 274.5421 10.47834 2223.009       168.4047 2354.869       271.7390 2140.788       214.5787 281.3963 16.53873 268.8675 13.65280 12.52878       21.44595 
1 1 1 -20 1  16 o 194.2197 11.36923 1115.846       128.9352 1011.545       179.9936 1225.773       184.7846 183.8945 16.87734 202.8332 15.65481 -18.93875      23.01994 
1 1 1 -20 1  17 o 595.6220 11.02330 10459.58       385.0640 10379.94       541.3136 10541.18       547.8709 591.5442 15.61677 596.0941 15.68521 -4.549866      22.13390 
1 1 1 -20 1  18 o 309.5759 9.295204 2824.309       168.5716 2852.260       238.3194 2796.322       238.4732 310.3454 13.12335 307.2490 13.26549 3.096466       18.66000 
1 1 1 -20 1  19 o 171.9887 12.42100 878.4057       124.4433 854.0338       174.0099 903.9190       178.0380 168.4406 17.88794 173.3716 17.76069 -4.931000      25.20755 
1 1 1 -20 1  20 o 130.4630 15.03950 511.2736       112.9690 398.9111       156.6629 632.9897       163.0532 112.8983 24.37545 144.2312 19.79798 -31.33286      31.40259 
1 1 1 -20 1  21 o 226.0320 10.14753 1509.096       134.1751 1344.069       187.3837 1682.738       192.2128 212.3202 15.14790 237.9913 13.83076 -25.67114      20.51216 
1 1 1 -20 1  22 o 428.8224 9.483576 5417.269       238.5064 5489.385       336.9984 5344.895       337.6005 430.4898 13.36413 424.7146 13.57104 5.775269       19.04661 
1 1 1 -20 1  23 o 165.6216 12.76284 815.7458       123.0140 793.7711       175.3925 837.0208       172.5777 162.0432 18.80441 166.6711 17.93729 -4.627838      25.98754 
1 1 1 -20 1  24 o 245.4048 10.50070 1779.174       150.7810 1632.708       214.4586 1922.348       212.0351 233.9754 15.71992 254.3239 14.27304 -20.34840      21.23289 
1 1 1 -20 1  25 o 479.6578 10.09944 6783.325       284.1054 6752.550       404.2071 6813.373       399.4073 477.0005 14.46561 479.2394 14.22637 -2.238861      20.28900 
1 1 1 -20 1  26 o 88.53672 21.60379 245.1126       111.1699 278.0599       156.7244 211.7469       157.7162 94.20186 26.98570 84.36202 27.64099 9.839836       38.62968 
1 1 1 -20 1  27 o 100.8256 19.92964 315.5144       113.6687 381.8240       160.7884 249.2652       160.7152 109.8296 25.45956 89.80795 27.73325 20.02164       37.64734 
1 1 1 -20 1  28 o 118.9141 16.46631 429.9049       111.7585 481.4586       160.1042 380.9142       156.0736 124.1595 22.82827 109.6380 24.84888 14.52150       33.74310 
1 1 1 -20 1  29 o 413.6009 9.411588 5050.775       228.2942 5099.989       325.7779 5003.288       320.0129 413.9384 13.43727 410.0418 13.32496 3.896606       18.92392 
1 1 1 -20 1  30 o 82.12862 21.44416 212.9053       104.3860 180.2858       141.7636 251.5376       154.2771 77.94073 26.22702 89.26128 27.09827 -11.32055      37.71171 
1 1 1 -20 1  31 o 52.29017 21.43871 33.86211       104.9616 84.81787       146.1159 -20.46681      150.8747 65.45245 25.82297 55.47469 24.29875 9.977768       35.45779 
1 1 1 -20 1  32 o 113.3095 17.02435 395.1385       109.6380 611.0035       159.5446 201.9863       150.9179 140.3619 19.94180 81.28973 27.05588 59.07221       33.61095 
1 1 1 -20 1  33 o 34.32753 16.68304 -176.4770      106.2739 -313.2075      146.4021 -24.17536      154.5137 37.11055 18.34330 55.42331 24.42231 -18.31276      30.54384 
1 1 1 -20 1  34 o 62.25697 22.48707 106.5213       105.2648 175.0402       150.0107 40.05297       147.7490 76.44073 26.92723 59.85498 25.06483 16.58576       36.78752 
1 1 1 -20 1  35 o 283.7308 9.143866 2394.820       151.9565 2626.788       221.7302 2189.388       208.6626 295.1466 12.84035 269.1612 13.25929 25.98541       18.45761 
1 1 1 -20 1  36 o 110.8534 15.97118 383.9580       100.8412 378.1142       144.7276 389.4720       140.5847 106.3359 23.80171 108.4580 22.82537 -2.122032      32.97755 
1 1 1 -20 1  37 o 138.7845 12.87259 588.6606       103.5809 642.6581       146.8221 535.1553       146.1512 142.4501 17.97363 128.7094 20.01158 13.74077       26.89822 
1 1 1 -20 1  38 o 48.24292 20.24046 26.43707       96.62602 88.23486       134.3346 -39.81255      139.0891 61.62297 24.61472 49.69742 22.44151 11.92555       33.30925 
1 1 1 -20 1  39 o 40.92929 18.62164 -41.98112      97.97080 -31.48067      134.8484 -53.71982      142.5778 49.26373 22.18453 48.90258 22.33196 0.3611488      31.47808 
1 1 1 -20 1  40 o 104.0872 18.42633 355.0692       108.3672 345.0494       153.5624 365.0090       152.9483 97.64970 26.25103 100.8202 25.77179 -3.170448      36.78725 
1 1 1 -20 1  41 o 68.99621 23.44103 161.3267       113.2542 134.9426       161.0508 187.1385       159.2949 67.95138 27.01439 74.04927 27.51171 -6.097893      38.55738 
1 1 1 -20 1  42 o 47.89000 21.23276 -4.083160      118.5288 -41.79433      167.1837 34.02889       168.0699 52.58789 24.07810 58.36135 25.60225 -5.773460      35.14584 
1 1 1 -20 1  43 o 167.2440 12.86354 872.1672       125.2029 589.9439       340.1553 916.3946       134.6563 106.6191 40.08291 170.9065 13.54507 -64.28743      42.30967 
1 1 1 -20 1  44 o 50.12224 20.90511 46.00500       102.1643 -172.4585      140.2189 293.2160       149.1595 40.05727 19.39588 87.23389 26.67748 -47.17663      32.98315 
1 1 1 -20 1  45 o 43.69106 19.75446 -22.07828      108.1798 -154.1915      157.3916 96.22253       148.9369 43.66487 20.99383 60.77085 25.28522 -17.10598      32.86462 
1 1 1 -20 1  46 o 74.79803 23.82491 208.5953       117.6941 347.3820       160.0171 45.03129       173.7146 93.16789 27.43854 58.23948 25.76886 34.92842       37.64183 
1 1 1 -20 2  1  o 389.3214 15.34934 4475.297       349.7813 4706.672       480.4720 4214.409       510.1960 398.1868 20.64507 376.1072 23.24352 22.07953       31.08826 
1 1 1 -20 2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 2  4  o 612.4414 11.66352 11034.20       418.9330 11826.21       618.9896 10364.78       569.0744 632.7643 16.69439 592.4270 16.39462 40.33734       23.39842 
1 1 1 -20 2  5  o 456.7046 10.39738 6132.334       278.4901 6170.033       393.6888 6094.576       394.0003 457.2788 14.69894 454.4512 14.80262 2.827606       20.86088 
1 1 1 -20 2  6  o 83.90093 26.99436 205.2246       150.8074 199.2303       212.1476 211.3480       214.4185 88.45838 31.92714 90.05231 32.14663 -1.593933      45.30726 
1 1 1 -20 2  7  o 287.5464 10.92338 2435.553       183.8761 2321.856       255.6794 2557.352       264.6318 280.0764 15.62767 294.0164 15.40057 -13.93994      21.94086 
1 1 1 -20 2  8  o 450.3647 9.883094 5963.444       261.0405 6067.913       371.2207 5861.256       367.1469 453.4831 13.97459 445.6688 14.06440 7.814301       19.82666 
1 1 1 -20 2  9  o 290.7155 9.945293 2488.165       169.3154 2441.763       235.3710 2537.928       243.7446 287.4282 14.00498 293.0102 14.22662 -5.582001      19.96337 
1 1 1 -20 2  10 o 280.6215 9.889787 2318.818       162.5096 2217.347       224.6952 2430.112       235.3191 273.8231 14.03865 286.6918 14.03828 -12.86877      19.85339 
1 1 1 -20 2  11 o 219.6002 11.60781 1424.076       148.9664 1287.484       205.6243 1574.950       216.1070 207.9088 17.01227 230.2574 16.10465 -22.34866      23.42599 
1 1 1 -20 2  12 o 343.4633 9.551244 3472.536       192.2069 3745.519       272.0092 3200.305       271.6344 356.1381 13.04515 328.9596 14.11247 27.17844       19.21816 
1 1 1 -20 2  13 o 244.6391 10.14427 1764.409       145.2292 1739.816       202.0170 1790.714       208.9276 242.2895 14.28015 245.7691 14.56025 -3.479568      20.39420 
1 1 1 -20 2  14 o 652.0169 11.73315 12530.83       448.6667 12617.96       637.5954 12445.37       631.4700 652.3619 16.67871 647.9019 16.63230 4.460022       23.55446 
1 1 1 -20 2  15 o 239.5793 10.24201 1693.211       143.5760 1588.459       198.3232 1808.575       208.1256 231.2968 14.69621 246.9130 14.43542 -15.61629      20.60000 
1 1 1 -20 2  16 o 282.9709 9.256173 2358.987       153.4048 2297.174       208.4321 2432.044       226.5991 278.6453 12.78857 286.5773 13.52048 -7.932068      18.61050 
1 1 1 -20 2  17 o 377.9364 9.164440 4204.336       203.1305 4128.362       284.5507 4283.285       290.0687 373.5720 13.00762 380.5226 13.01696 -6.950623      18.40216 
1 1 1 -20 2  18 o 347.1871 9.074509 3550.881       184.6140 3479.147       261.9327 3621.692       260.2429 342.8231 13.05158 349.8712 12.70404 -7.048126      18.21363 
1 1 1 -20 2  19 o 233.8478 9.984215 1614.321       136.6146 1411.555       192.2029 1821.359       194.2172 217.6664 15.15087 247.7746 13.41539 -30.10815      20.23664 
1 1 1 -20 2  20 o 236.6070 9.783421 1652.404       135.4662 1824.745       189.1143 1470.780       194.1409 248.0480 13.04570 222.2027 14.98527 25.84532       19.86828 
1 1 1 -20 2  21 o 299.1780 9.363132 2639.109       164.0841 2805.043       234.8746 2480.924       229.3247 307.6690 13.04634 289.1922 13.55891 18.47681       18.81624 
1 1 1 -20 2  22 o 335.4441 9.389370 3317.112       184.5354 3282.284       261.2837 3351.774       260.6624 332.7637 13.41582 336.3196 13.24113 -3.555969      18.84971 
1 1 1 -20 2  23 o 372.8837 9.610673 4099.190       209.9982 4341.438       301.8132 3871.856       292.3762 382.7734 13.46551 361.3524 13.82172 21.42108       19.29663 
1 1 1 -20 2  24 o 342.3900 9.534434 3456.391       191.2685 3474.250       269.8317 3438.355       271.1623 342.3551 13.46522 340.5414 13.60454 1.813782       19.14146 
1 1 1 -20 2  25 o 94.10894 21.90872 276.6325       118.6499 299.6331       164.0934 251.4320       171.7618 97.69809 27.48847 90.90382 28.76113 6.794273       39.78466 
1 1 1 -20 2  26 o 120.1316 16.48210 437.3913       113.0653 510.7313       157.5179 359.4439       162.3904 128.6385 21.64679 106.5947 26.17168 22.04379       33.96381 
1 1 1 -20 2  27 o 139.0564 14.83467 581.1040       119.1155 692.5663       168.1133 468.7317       168.7982 150.7362 19.47105 122.1844 24.41059 28.55181       31.22497 
1 1 1 -20 2  28 o 54.50724 21.90719 45.64705       107.0893 55.05259       153.7180 36.77747       149.2741 63.69758 26.01008 61.03664 25.34791 2.660942       36.31860 
1 1 1 -20 2  29 o 148.6109 13.38326 661.7302       115.3959 629.9059       160.5017 695.7835       166.0274 143.2245 19.62327 150.7778 19.21121 -7.553329      27.46167 
1 1 1 -20 2  30 o 44.78289 19.78472 -26.23851      102.0268 -111.8759      139.6556 71.78391       149.4134 46.21865 21.46117 64.54925 25.89964 -18.33059      33.63590 
1 1 1 -20 2  31 o 144.3819 13.54793 626.6417       113.3791 578.2200       163.6511 671.3362       157.2263 136.2676 21.16380 147.9776 18.52121 -11.70998      28.12368 
1 1 1 -20 2  32 o 260.8203 9.740758 2016.593       148.7376 1971.379       211.4523 2060.873       209.2585 256.3582 14.11870 262.3195 13.64892 -5.961334      19.63748 
1 1 1 -20 2  33 o 129.4261 15.32435 510.8369       114.0660 424.3564       158.5247 603.6827       164.2552 114.5843 24.34165 138.7673 20.82487 -24.18298      32.03422 
1 1 1 -20 2  34 o 115.8021 16.28669 414.4309       107.5592 312.0794       149.1954 525.1951       155.2059 97.09168 25.77417 128.4973 21.34356 -31.40563      33.46424 
1 1 1 -20 2  35 o 29.35578 14.54323 -210.1242      93.95104 -226.7526      136.9737 -195.3507      129.1085 38.44519 18.74155 38.30016 18.56090 0.1450310      26.37712 
1 1 1 -20 2  36 o 228.8629 9.628122 1565.263       128.9426 1584.089       185.1170 1547.520       179.7079 227.9392 13.91396 225.4419 13.65600 2.497299       19.49576 
1 1 1 -20 2  37 o 88.30167 19.85555 255.6811       100.3225 397.8446       149.1513 138.2226       135.5736 108.4036 24.08581 68.52753 25.39561 39.87603       35.00091 
1 1 1 -20 2  38 o 173.4467 11.35299 911.4380       114.8505 980.1114       164.7786 846.5555       160.1660 177.1368 16.03489 163.9921 16.89465 13.14476       23.29264 
1 1 1 -20 2  39 o 148.4827 12.90927 678.2103       111.2998 544.7603       147.4675 854.8456       169.6585 128.7273 20.19734 163.4102 18.00083 -34.68288      27.05480 
1 1 1 -20 2  40 o 72.80933 22.35858 181.2327       104.6358 168.9243       139.6920 196.9661       157.9367 71.44793 25.89115 75.85596 27.52416 -4.408035      37.78798 
1 1 1 -20 2  41 o 41.20902 18.86381 -46.09383      102.5364 31.63631       134.9864 -152.1229      157.6550 54.26233 23.37945 44.81908 21.40458 9.443245       31.69786 
1 1 1 -20 2  42 o 127.7823 15.26700 520.8101       112.1518 461.1527       328.8429 528.6624       119.3046 98.58699 38.78721 128.0922 16.24615 -29.50522      42.05217 
1 1 1 -20 2  43 o 146.4621 14.91666 683.6736       126.3427 737.1779       344.3373 675.3499       135.8152 119.2833 40.86588 144.4588 16.31594 -25.17549      44.00262 
1 1 1 -20 2  44 o 65.35512 23.85373 145.1806       118.8670 170.3404       336.9007 141.6032       127.0368 77.26283 34.90429 65.18064 24.49734 12.08218       42.64304 
1 1 1 -20 2  45 o 47.75379 20.81538 17.45857       109.5515 0.3938361      154.5141 34.70794       155.3478 52.80489 23.76594 55.66506 24.51005 -2.860168      34.14033 
1 1 1 -20 2  46 o 38.91508 18.59700 -115.3536      119.4192 -84.76374      164.8099 -149.1671      173.2765 48.34415 22.72827 46.17262 22.15476 2.171528       31.73969 
1 1 1 -20 3  1  o 419.6139 12.16396 5185.267       299.0315 4940.004       480.3243 5340.488       382.1143 408.0442 20.13353 425.3228 15.34392 -17.27856      25.31393 
1 1 1 -20 3  2  o 759.8445 15.41072 17024.41       686.7493 16276.69       1141.800 17448.22       859.6172 738.5922 26.40182 768.1155 19.08218 -29.52332      32.57585 
1 1 1 -20 3  3  f 656.1993 17.02199 12721.59       654.5302 12089.85       883.8079 13488.93       974.0488 637.4628 23.68144 672.9547 24.72198 -35.49188      34.23429 
1 1 1 -20 3  4  o 1384.553 32.44027 57637.83       2634.174 0.000000       0.000000 57637.83       2634.174 ?        ?        1384.553 32.44027 0.000000       32.44027 
1 1 1 -20 3  5  o 121.6505 25.58286 456.9709       176.7235 -51.65642      281.1985 789.0062       227.1985 75.90066 33.21104 161.0183 24.85860 -85.11761      41.48400 
1 1 1 -20 3  6  o 277.7574 12.57593 2276.014       204.3281 2300.439       314.9899 2258.269       268.4783 278.0950 19.43548 276.0433 16.66126 2.051697       25.59952 
1 1 1 -20 3  7  o 55.20262 24.09830 -27.87332      147.3051 -188.7313      190.9754 208.4001       231.4535 52.64632 24.66008 91.25340 33.28887 -38.60708      41.42786 
1 1 1 -20 3  8  o 452.2612 10.06261 6014.665       266.9012 6107.005       378.6750 5923.504       376.2473 454.8714 14.21218 447.9524 14.34006 6.919037       20.18968 
1 1 1 -20 3  9  o 221.5911 11.87389 1449.847       153.7471 1584.313       210.3812 1295.714       225.2413 231.1099 15.61329 208.3560 18.62914 22.75386       24.30678 
1 1 1 -20 3  10 o 51.88906 22.46485 -14.99465      125.8203 -162.3118      166.4035 181.6548       192.2570 49.26724 23.05845 84.22961 30.39456 -34.96237      38.15130 
1 1 1 -20 3  11 o 558.4249 10.75320 9178.427       352.1707 9276.455       502.0294 9083.450       494.1530 560.1303 15.29665 554.2925 15.21538 5.837769       21.57534 
1 1 1 -20 3  12 o 314.7181 9.668222 2916.457       178.2393 3033.749       248.1773 2791.509       256.1486 320.4202 13.23511 307.1484 14.25870 13.27182       19.45453 
1 1 1 -20 3  13 o 83.85376 23.47865 216.3052       120.0185 247.2561       160.8528 177.4332       180.2647 90.38147 27.71547 82.31635 29.46512 8.065125       40.45170 
1 1 1 -20 3  14 o 522.8926 10.34971 8050.319       317.3886 8137.693       449.8147 7963.687       447.9019 524.4593 14.63849 518.7867 14.73614 5.672546       20.77112 
1 1 1 -20 3  15 o 126.0966 17.40846 480.4991       125.3091 476.6979       154.9185 487.6927       213.1160 124.5495 22.01351 124.3941 29.63628 0.1553879      36.91753 
1 1 1 -20 3  16 o 73.91191 22.55754 164.5122       106.7165 216.0497       145.8980 105.2133       156.4988 84.72987 26.46610 70.46104 27.02324 14.26884       37.82473 
1 1 1 -20 3  17 o 473.6897 9.708633 6607.988       269.7134 6652.512       382.5788 6563.994       380.2962 474.0626 13.77512 470.8923 13.78535 3.170349       19.48820 
1 1 1 -20 3  18 o 268.2188 9.506225 2121.339       149.3002 2218.969       208.6814 2018.963       213.6926 273.6700 13.03939 260.8038 14.02248 12.86618       19.14825 
1 1 1 -20 3  19 f 439.1763 9.441324 5680.841       243.1769 5849.104       351.8018 5526.884       336.5155 444.4099 13.51353 432.0524 13.29644 12.35754       18.95813 
1 1 1 -20 3  20 o 308.8805 9.294673 2812.530       168.1825 2756.115       238.4292 2868.396       237.2670 304.9060 13.36594 311.1490 13.03109 -6.243042      18.66702 
1 1 1 -20 3  21 o 93.69620 21.44821 273.6309       115.3087 306.7388       157.3930 235.2737       169.4117 98.79173 26.58447 88.58357 28.62085 10.20815       39.06261 
1 1 1 -20 3  22 o 383.9253 9.269597 4341.378       208.7171 4222.893       293.3868 4462.790       296.9873 377.5536 13.27050 388.2028 13.06315 -10.64914      18.62128 
1 1 1 -20 3  23 o 95.00131 22.20374 281.7880       121.4765 450.9718       172.2864 114.5261       171.3051 119.9641 25.28616 73.29417 28.23067 46.66998       37.89934 
1 1 1 -20 3  24 o 329.2525 12.10127 3207.218       233.2766 3263.327       487.2551 3190.533       265.7068 327.1980 25.59546 327.9474 13.84606 -0.7494202     29.10053 
1 1 1 -20 3  25 o 308.9290 9.480572 2814.767       171.5653 2870.324       239.3227 2756.030       246.0782 311.1458 13.14465 304.7043 13.80619 6.441467       19.06285 
1 1 1 -20 3  26 o 34.22255 16.69932 -199.0695      109.5022 -271.5446      155.6578 -128.0623      154.0733 41.14474 20.04003 48.48883 22.52436 -7.344093      30.14879 
1 1 1 -20 3  27 o 259.3306 9.804986 1986.935       148.8567 2099.558       216.7273 1886.359       204.8082 265.5846 13.96332 251.7113 13.92806 13.87328       19.72220 
1 1 1 -20 3  28 o 132.8008 14.93598 531.5594       114.3137 560.6957       163.0524 503.3948       160.3104 134.6379 21.36199 127.1329 22.31426 7.505005       30.89112 
1 1 1 -20 3  29 o 123.3542 15.85654 461.9819       112.0630 501.8759       154.5853 417.7968       162.6868 126.9645 21.52872 114.5850 24.92013 12.37944       32.93173 
1 1 1 -20 3  30 o 33.53769 16.21820 -152.6374      97.24601 -75.51103      134.4621 -237.2187      140.8107 47.74052 21.75741 39.35989 19.14578 8.380634       28.98182 
1 1 1 -20 3  31 o 272.9814 9.303118 2204.993       148.7227 2238.747       212.7351 2172.727       207.9961 273.7947 13.28808 269.7553 13.18721 4.039398       18.72099 
1 1 1 -20 3  32 o 191.3899 11.35288 1091.907       126.8586 1155.794       176.5632 1023.734       182.3890 195.5750 15.52065 183.3865 17.15743 12.18855       23.13586 
1 1 1 -20 3  33 o 95.84422 19.13310 289.6642       103.7788 287.5682       143.3868 291.9700       150.3947 93.91624 25.41791 94.50332 26.21680 -0.5870743     36.51563 
1 1 1 -20 3  34 o 199.9257 10.15507 1191.776       118.6799 1166.219       168.2029 1217.113       167.4770 195.9876 14.74176 200.4200 14.34314 -4.432388      20.56807 
1 1 1 -20 3  35 o 283.6624 9.013277 2393.489       149.7557 2609.357       218.9413 2203.701       205.2903 294.1430 12.72175 270.1064 12.99749 24.03656       18.18729 
1 1 1 -20 3  36 o 137.5212 13.08969 577.1761       104.3005 590.3285       146.9878 563.8378       148.0240 136.3289 18.89116 132.8167 19.59082 3.512238       27.21536 
1 1 1 -20 3  37 o 126.7215 14.63701 497.6119       106.7840 441.7550       151.5635 552.6679       150.4731 114.8053 23.30730 130.6023 20.30467 -15.79702      30.91132 
1 1 1 -20 3  38 o 113.7216 16.73956 410.2423       108.3078 433.4605       154.2711 387.6752       152.0929 112.7455 24.06407 105.9656 24.89818 6.779884       34.62656 
1 1 1 -20 3  39 f 41.55307 18.88230 -40.69698      100.3493 -56.36653      140.1503 -24.21241      143.7489 48.22250 22.06666 51.33286 23.02791 -3.110367      31.89392 
1 1 1 -20 3  40 o 61.60222 21.78595 119.2221       98.27089 313.3386       136.4727 -89.82058      141.6224 94.02248 24.50455 45.87384 21.40523 48.14864       32.53700 
1 1 1 -20 3  41 o 120.3210 14.99087 458.7491       103.4956 618.0168       344.7189 442.9706       108.5012 113.0447 40.71148 117.5147 16.17150 -4.470047      43.80573 
1 1 1 -20 3  42 o 57.90023 22.28091 95.81481       106.6381 -235.0543      334.0481 133.3589       112.5258 62.12568 30.04669 63.98101 23.23015 -1.855328      37.97952 
1 1 1 -20 3  43 o 100.0892 20.12803 343.7331       114.0521 492.4062       355.3489 326.6587       120.4233 97.92345 39.70951 96.28421 21.83072 1.639236       45.31474 
1 1 1 -20 3  44 o 38.89426 18.49031 -105.4192      114.9160 -446.5241      348.6553 -63.84722      121.7173 56.37028 27.94232 43.06441 20.00985 13.30587       34.36811 
1 1 1 -20 3  45 o 43.61605 19.97803 -38.27059      115.2450 34.60727       159.3712 -118.1469      166.8480 56.10877 24.76053 46.97045 22.31545 9.138321       33.33262 
1 1 1 -20 3  46 o 37.55365 18.16010 -147.7947      121.9213 -138.3875      184.8243 -155.0419      162.2235 48.28275 23.09057 44.20252 21.26804 4.080231       31.39274 
1 1 1 -20 4  1  o 159.7395 22.22754 771.0366       202.6023 475.0200       300.4679 1017.837       274.3550 124.5716 37.81711 183.0278 26.31458 -58.45618      46.07159 
1 1 1 -20 4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 4  3  o 262.8454 13.28811 2039.739       204.1752 2132.847       315.2372 1972.453       267.9796 267.6229 20.23454 257.7566 17.83727 9.866272       26.97414 
1 1 1 -20 4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 4  5  o 607.4940 11.58579 10858.81       412.7794 11332.07       598.6795 10429.96       569.8998 619.2961 16.49804 594.1519 16.37060 25.14423       23.24182 
1 1 1 -20 4  6  o 346.8361 10.34638 3540.528       210.2215 3644.226       294.9494 3433.459       299.7039 351.2929 14.34638 340.8483 15.02968 10.44464       20.77763 
1 1 1 -20 4  7  o 48.99994 22.30860 -86.60564      140.9049 22.97427       185.1547 -237.3962      217.1983 66.67034 27.99794 54.91748 25.90275 11.75286       38.14233 
1 1 1 -20 4  8  o 404.6798 9.815101 4815.346       232.9468 4951.530       329.1065 4678.615       329.7676 409.6051 13.71936 398.0627 14.14807 11.54245       19.70758 
1 1 1 -20 4  9  o 231.0913 11.44493 1575.879       154.6301 1573.394       207.0710 1579.011       232.4894 230.3214 15.41854 230.3917 17.33334 -0.7026672E-01 23.19862 
1 1 1 -20 4  10 o 475.8842 10.11912 6662.139       282.4194 6539.278       397.1603 6787.813       401.6808 470.4874 14.41052 479.3789 14.30335 -8.891510      20.30391 
1 1 1 -20 4  11 o 235.3172 11.00137 1633.789       151.4074 1610.417       207.7005 1660.293       221.1794 232.9599 15.28664 236.4145 16.04729 -3.454620      22.16296 
1 1 1 -20 4  12 o 199.9293 12.05585 1182.272       140.7026 1208.819       190.3219 1150.275       208.9469 201.4744 16.24475 196.0764 18.38465 5.398041       24.53339 
1 1 1 -20 4  13 o 366.2413 9.450881 3948.792       202.8276 3850.047       278.8474 4059.732       295.5652 360.9560 13.19451 370.5750 13.62280 -9.619019      18.96512 
1 1 1 -20 4  14 o 406.7329 9.322249 4867.417       222.3722 5005.677       314.3865 4728.989       314.5772 411.6071 13.04004 399.9664 13.42980 11.64066       18.71903 
1 1 1 -20 4  15 o 180.2255 12.05773 962.3348       126.7146 937.2297       173.1113 991.3123       185.9834 176.9748 16.88312 181.8865 17.65694 -4.911758      24.42964 
1 1 1 -20 4  16 o 114.3978 17.70097 397.7010       114.9271 478.7331       151.9475 289.3699       175.6879 124.8520 21.52879 96.81593 28.81167 28.03602       35.96667 
1 1 1 -20 4  17 o 288.4052 12.62519 2461.669       213.0286 2556.728       266.5412 2293.571       354.4447 293.2428 15.55402 275.7462 22.10231 17.49661       27.02664 
1 1 1 -20 4  18 o 183.2151 11.35575 994.1863       121.4194 1068.623       168.4830 913.7543       175.1361 189.2331 15.31195 174.4397 17.34877 14.79338       23.13948 
1 1 1 -20 4  19 o 217.7204 10.34559 1400.552       131.7228 1425.911       183.9883 1373.887       188.6681 218.9208 14.41034 214.7257 15.07763 4.195068       20.85649 
1 1 1 -20 4  20 o 324.0927 9.258832 3096.027       175.8048 3050.868       248.7020 3141.130       248.5490 320.8537 13.24514 325.6250 13.04137 -4.771362      18.58793 
1 1 1 -20 4  21 o 220.2870 10.31309 1433.842       132.8682 1208.968       181.7713 1691.849       194.7025 201.2286 15.52218 238.6063 13.97477 -37.37772      20.88617 
1 1 1 -20 4  22 o 372.8964 9.475820 4098.909       207.0635 4113.646       294.7090 4084.542       290.9904 372.5664 13.51011 371.2803 13.38559 1.286102       19.01834 
1 1 1 -20 4  23 o 233.2606 11.03747 1608.978       150.5663 1734.107       214.4603 1487.352       211.4376 241.2898 15.23280 223.1422 16.26836 18.14758       22.28672 
1 1 1 -20 4  24 o 199.2573 11.78135 1176.674       137.0620 1000.509       184.7301 1392.425       204.4339 182.4744 17.47505 215.8391 16.26978 -33.36467      23.87641 
1 1 1 -20 4  25 o 311.6505 9.461861 2864.619       172.7395 2890.844       243.6224 2838.103       244.9641 312.1916 13.33666 309.2721 13.53832 2.919556       19.00402 
1 1 1 -20 4  26 o 149.5364 13.78683 668.5020       119.5495 686.5925       167.9630 649.9272       170.1962 150.1587 19.53540 145.7678 20.47188 4.390945       28.29717 
1 1 1 -20 4  27 o 286.5350 9.534668 2424.291       160.0031 2430.929       229.5789 2418.022       223.1167 285.8721 13.73352 285.2144 13.37586 0.6577759      19.17089 
1 1 1 -20 4  28 o 79.56431 23.19966 197.0509       114.8878 207.0717       155.9478 185.1571       169.8990 83.12907 27.49764 81.15503 28.65071 1.974045       39.71125 
1 1 1 -20 4  29 o 184.4580 11.17871 1011.226       120.3639 924.9468       165.3748 1108.413       175.5183 175.0556 16.29517 191.9353 15.73044 -16.87965      22.64905 
1 1 1 -20 4  30 o 94.73605 19.15780 280.4912       102.7792 392.2799       143.9119 164.1140       146.8357 111.3632 22.80271 75.94701 26.64984 35.41617       35.07389 
1 1 1 -20 4  31 o 168.5150 11.74901 847.2778       115.3882 571.9498       158.4529 1158.130       168.3650 135.6875 20.55474 196.2502 14.73583 -60.56271      25.29114 
1 1 1 -20 4  32 o 513.0267 10.28056 7802.619       309.3195 7986.355       449.5907 7637.479       426.2310 515.7784 14.87845 504.7388 14.41361 11.03961       20.71523 
1 1 1 -20 4  33 o 166.8787 11.95873 834.4654       116.2647 991.4003       162.3475 669.2401       166.5805 180.7266 15.46549 146.5350 19.89706 34.19151       25.20068 
1 1 1 -20 4  34 o 49.88060 20.39461 35.37631       94.66028 21.63569       127.8388 52.05480       140.8438 54.47772 23.09067 59.90987 24.72676 -5.432152      33.83182 
1 1 1 -20 4  35 o 183.9164 10.74522 1014.444       115.3960 1137.329       164.7002 895.9526       161.7294 192.9721 14.66264 170.2957 16.39569 22.67641       21.99572 
1 1 1 -20 4  36 o 53.54612 20.61708 68.05838       91.34281 107.9170       131.5149 30.91175       126.9619 64.41907 24.75550 54.58308 23.06750 9.835991       33.83702 
1 1 1 -20 4  37 o 120.9769 15.03294 455.4904       104.3648 417.6529       150.1218 490.8827       145.1899 111.2527 23.73232 122.5388 20.95537 -11.28607      31.65992 
1 1 1 -20 4  38 o 74.65720 22.52594 186.9692       106.8362 238.5970       150.5624 134.6123       151.6216 82.90568 26.99686 68.85155 26.54883 14.05412       37.86384 
1 1 1 -20 4  39 o 84.26530 20.73448 239.5077       101.7590 306.4041       142.6957 170.2868       145.1537 92.93613 25.44163 72.32303 26.36538 20.61310       36.63891 
1 1 1 -20 4  40 o 126.3743 12.96789 494.8393       94.75020 365.6701       342.1909 505.5649       98.60559 94.51171 38.72492 127.5310 13.38276 -33.01926      40.97216 
1 1 1 -20 4  41 o 39.99811 18.32366 -45.65700      96.99810 463.8781       341.1840 -90.46188      101.1729 100.1739 39.47868 37.38268 17.64630 62.79118       43.24302 
1 1 1 -20 4  42 o 125.7301 16.65575 512.3558       119.7976 -200.4699      369.9607 595.8535       126.6197 65.98253 31.84036 136.0434 16.18691 -70.06084      35.71869 
1 1 1 -20 4  43 o 51.64599 22.10476 36.03573       119.1721 -441.3540      362.0893 94.02969       126.2032 58.03658 28.71599 59.15303 23.77937 -1.116455      37.28360 
1 1 1 -20 4  44 o 69.81918 23.30293 174.4484       111.9390 501.9745       362.6009 139.9462       117.6874 96.71224 39.77058 64.43441 23.69964 32.27783       46.29657 
1 1 1 -20 4  45 o 58.45838 23.60158 94.77645       124.9067 390.2109       407.9803 64.22033       131.2072 87.64287 39.09251 55.62313 23.47560 32.01974       45.59965 
1 1 1 -20 4  46 o 50.18526 21.81269 28.45902       119.5776 -86.57733      162.7097 163.5553       176.3264 47.86613 22.52828 68.87746 27.95703 -21.01133      35.90430 
1 1 1 -20 5  1  o 268.2189 15.86824 2130.032       248.4983 2143.349       315.6886 2108.340       402.9189 268.2638 20.21404 264.6436 26.30807 3.620209       33.17713 
1 1 1 -20 5  2  o 248.9399 16.20701 1836.698       235.3318 1875.179       300.0823 1775.226       379.2751 250.7410 20.58747 242.4042 27.14424 8.336777       34.06837 
1 1 1 -20 5  3  o 740.5784 15.10508 16175.35       656.0616 15592.92       1084.005 16512.00       824.1377 722.8282 25.61137 746.8324 18.83097 -24.00421      31.78911 
1 1 1 -20 5  4  o 456.8612 14.08744 6157.456       377.0055 6295.856       512.2378 5993.875       556.8893 460.8494 18.99301 449.0421 21.20606 11.80734       28.46808 
1 1 1 -20 5  5  o 608.9960 16.45274 10960.79       587.0905 0.000000       0.000000 10960.79       587.0905 ?        ?        608.9960 16.45274 0.000000       16.45274 
1 1 1 -20 5  6  o 77.48991 25.95649 169.2411       138.8665 96.27731       179.3782 278.3752       219.3795 73.05344 28.67551 98.23105 32.61825 -25.17761      43.43081 
1 1 1 -20 5  7  o 30.37018 15.33415 -430.2136      130.0875 -472.3741      163.1808 -356.6994      215.4775 35.77357 17.94385 49.35342 23.93189 -13.57985      29.91182 
1 1 1 -20 5  8  o 448.0016 10.02917 5902.780       263.5089 6018.840       370.7999 5784.363       374.5439 451.5390 14.01910 442.5555 14.44998 8.983551       20.13299 
1 1 1 -20 5  9  o 140.9385 17.58256 596.8257       142.1801 581.2574       182.7407 620.7059       226.3254 137.8132 23.44868 141.4026 28.28005 -3.589478      36.73693 
1 1 1 -20 5  10 o 341.7827 9.765442 3438.786       195.5451 3484.070       268.6404 3387.752       285.1858 343.4506 13.36245 338.4655 14.39980 4.985016       19.64457 
1 1 1 -20 5  11 o 140.2689 16.40732 589.9319       132.4267 665.9043       171.1948 476.7441       208.9598 148.3656 20.19866 123.3331 29.32129 25.03255       35.60511 
1 1 1 -20 5  12 o 292.9167 10.01741 2527.945       171.8345 2420.981       237.2798 2645.905       249.1780 285.9593 14.19271 298.9668 14.25242 -13.00748      20.11379 
1 1 1 -20 5  13 o 497.6924 10.05696 7291.033       293.5473 7553.996       423.5965 7048.071       407.1679 505.4132 14.30515 488.2013 14.23601 17.21191       20.18170 
1 1 1 -20 5  14 o 454.2668 9.664796 6073.604       257.4864 6126.798       364.3704 6020.542       363.9114 455.2145 13.66370 451.2180 13.76788 3.996521       19.39720 
1 1 1 -20 5  15 f 282.3223 9.420574 2348.509       155.7630 2282.674       214.1109 2422.521       227.0198 277.6941 13.18450 286.0133 13.57275 -8.319275      18.92223 
1 1 1 -20 5  16 o 387.2906 9.211315 4414.982       209.2229 4250.586       292.1946 4587.955       299.7206 379.0476 13.16399 393.8641 12.99315 -14.81650      18.49629 
1 1 1 -20 5  17 o 129.8926 14.94132 506.3026       111.7507 442.0187       147.9791 591.6188       170.4767 119.6791 21.88933 138.9896 21.61611 -19.31045      30.76360 
1 1 1 -20 5  18 o 269.4516 9.477972 2140.952       149.5443 2120.236       206.3460 2163.869       217.0337 267.4456 13.19633 270.0670 13.74790 -2.621368      19.05644 
1 1 1 -20 5  19 o 183.2813 11.67739 995.7707       124.8676 1120.819       170.6339 851.6017       183.2157 193.8166 15.13133 167.8957 18.93683 25.92090       24.23965 
1 1 1 -20 5  20 o 476.3737 9.852708 6687.621       275.2669 6492.814       383.2152 6895.280       395.6550 468.0108 13.97730 482.3006 14.00259 -14.28986      19.78478 
1 1 1 -20 5  21 o 111.0658 18.35312 377.1713       115.3758 392.8755       155.1576 357.7471       172.5581 112.0239 24.31555 106.4330 27.46188 5.590881       36.67970 
1 1 1 -20 5  22 f 156.8168 13.74836 733.4908       125.1649 684.9250       171.0497 789.4691       183.6400 150.0876 19.92411 161.3328 19.82492 -11.24525      28.10690 
1 1 1 -20 5  23 o 316.3271 9.837408 2951.547       182.2801 2937.862       256.2720 2965.559       259.3211 314.6692 13.92107 316.1250 14.02202 -1.455811      19.75888 
1 1 1 -20 5  24 o 280.6225 9.941984 2324.079       163.3651 2492.473       228.1472 2146.888       234.0314 289.8649 13.45724 268.6142 14.91430 21.25064       20.08815 
1 1 1 -20 5  25 o 86.01361 22.42307 231.1348       114.2531 129.4803       156.5148 347.0972       167.1671 73.13438 27.25150 104.7495 27.03053 -31.61507      38.38351 
1 1 1 -20 5  26 o 246.6391 9.929749 1797.283       143.3382 1981.897       208.3860 1631.495       197.4754 258.1313 13.81536 233.9700 14.46206 24.16129       20.00039 
1 1 1 -20 5  27 o 95.37067 20.67773 284.1586       112.3161 381.9041       157.1785 182.1706       160.5533 109.8564 24.96474 80.17825 27.88509 29.67814       37.42748 
1 1 1 -20 5  28 o 108.8033 17.49878 363.2625       107.8751 354.9182       146.2985 373.2052       159.6974 105.8021 24.11563 108.1929 25.57458 -2.390762      35.15143 
1 1 1 -20 5  29 o 97.42318 18.74713 295.1256       103.2266 273.0598       142.1089 319.7743       150.1956 92.58035 25.40737 99.95536 25.53251 -7.375008      36.02004 
1 1 1 -20 5  30 o 281.8329 9.180892 2348.761       151.5470 2256.066       214.8621 2440.526       213.7816 274.9276 13.36578 286.1870 12.76923 -11.25943      18.48506 
1 1 1 -20 5  31 f 70.72613 22.14532 153.3032       102.0850 95.12222       139.8592 219.6463       149.3475 65.76886 25.46117 83.99124 26.84749 -18.22238      37.00080 
1 1 1 -20 5  32 o 149.7021 13.70054 675.4680       118.9541 559.1174       163.5955 805.9935       173.2744 133.3534 21.66041 161.9099 18.58431 -28.55650      28.54033 
1 1 1 -20 5  33 o 43.74722 19.48319 -30.71324      100.9355 -16.71032      141.1288 -45.37624      144.4168 53.49793 23.46495 51.67680 23.13945 1.821125       32.95509 
1 1 1 -20 5  34 o 128.0825 13.98224 500.1532       103.3271 436.6791       148.5958 559.5768       143.7765 116.1159 22.63408 133.5896 18.87659 -17.47371      29.47248 
1 1 1 -20 5  35 o 162.9868 11.77435 801.4705       111.7899 832.4742       159.6623 771.6552       156.5725 163.7767 16.86338 157.4328 17.23936 6.343872       24.11575 
1 1 1 -20 5  36 o 219.7845 9.675386 1444.973       124.4086 1465.597       184.2231 1427.683       168.6828 218.7391 14.44122 216.5531 13.34661 2.185989       19.66420 
1 1 1 -20 5  37 o 121.3381 14.62811 457.0611       101.9987 449.1074       140.6150 465.8934       148.1777 116.8423 21.30492 118.5729 22.12169 -1.730659      30.71269 
1 1 1 -20 5  38 o 53.77472 21.34446 63.83497       100.3881 96.26241       142.9611 32.29123       140.9997 63.36535 25.36508 56.25336 24.05962 7.111992       34.96073 
1 1 1 -20 5  39 o 73.74381 20.99442 183.7618       95.14735 -198.9995      354.0440 213.5582       98.78136 67.25840 32.10871 79.39471 20.92371 -12.13631      38.32455 
1 1 1 -20 5  40 o 152.0844 12.39990 711.9142       109.6405 173.2119       348.9322 770.9283       115.4900 82.45153 36.49967 158.2072 12.54984 -75.75564      38.59695 
1 1 1 -20 5  41 o 93.19065 20.80599 297.0638       110.8328 -115.8810      360.8994 340.0648       116.4606 69.09842 32.82595 100.0607 20.53446 -30.96225      38.71959 
1 1 1 -20 5  42 o 49.06573 21.21044 20.11786       111.8232 -71.32240      376.9181 28.94298       117.0951 70.66601 33.56370 50.85072 21.84053 19.81528       40.04411 
1 1 1 -20 5  43 o 44.23660 20.15746 -35.23320      115.3580 -328.5124      358.2065 -1.297092      121.8495 60.52758 29.67574 48.35554 21.47873 12.17204       36.63311 
1 1 1 -20 5  44 o 67.03476 23.95088 157.3277       119.0503 134.9736       367.4452 159.9495       125.8381 76.23537 35.19259 67.57557 24.56142 8.659805       42.91599 
1 1 1 -20 5  45 o 57.06764 23.57413 80.59256       128.1689 0.000000       0.000000 80.59256       128.1689 ?        ?        57.06764 23.57413 0.000000       23.57413 
1 1 1 -20 5  46 o 56.47046 25.17884 30.97322       169.0831 385.0190       388.3629 -51.83216      187.8180 86.08701 38.28574 53.11301 24.73877 32.97400       45.58294 
1 1 1 -20 6  1  o 455.7194 14.41032 6128.746       384.6585 5978.569       504.5434 6337.190       594.4174 448.9930 19.20493 461.4803 22.02639 -12.48737      29.22313 
1 1 1 -20 6  2  o 330.4640 14.17834 3224.930       274.1502 2833.287       341.5030 3934.797       459.7666 308.8345 18.94581 363.4756 21.66641 -54.64111      28.78154 
1 1 1 -20 6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 6  4  o 151.4604 19.04494 689.5733       165.4410 330.4051       227.4012 1093.454       241.1405 105.0318 33.07526 190.6658 21.96584 -85.63400      39.70480 
1 1 1 -20 6  5  o 84.77432 32.68574 147.6403       229.8054 0.000000       0.000000 147.6403       229.8054 ?        ?        84.77432 32.68574 0.000000       32.68574 
1 1 1 -20 6  6  o 142.1357 18.32853 607.6154       149.2323 697.0628       204.0024 504.6511       218.8743 151.2388 23.78403 127.1307 29.86633 24.10802       38.17954 
1 1 1 -20 6  7  o 438.0050 9.905167 5641.873       254.4435 5668.812       356.0073 5613.743       363.7940 438.2321 13.86920 436.0174 14.24573 2.214752       19.88204 
1 1 1 -20 6  8  o 603.1959 11.34024 10711.17       401.1724 10903.85       567.1984 10518.30       567.4886 607.2367 15.94051 596.3018 16.24221 10.93494       22.75762 
1 1 1 -20 6  9  o 128.2524 17.73525 496.1027       129.8329 491.0333       163.6238 504.7203       213.3336 126.4948 22.89862 127.0424 29.23939 -0.5475388     37.13878 
1 1 1 -20 6  10 o 261.6414 10.38498 2017.777       159.0372 2212.353       215.9270 1787.070       235.1222 273.5133 13.50276 245.2228 16.44371 28.29048       21.27722 
1 1 1 -20 6  11 o 285.0119 10.23560 2393.823       170.8130 2729.242       235.7374 2023.050       247.8497 303.8586 13.26029 260.9573 16.27556 42.90131       20.99355 
1 1 1 -20 6  12 o 64.87889 24.11108 98.36292       122.3644 115.0198       154.6195 70.44704       200.1672 71.56148 26.99789 73.10535 29.74491 -1.543877      40.17021 
1 1 1 -20 6  13 o 205.9655 12.92251 1256.802       155.3094 1474.551       194.1652 870.0073       258.7816 222.7975 14.94618 167.9097 27.20929 54.88777       31.04406 
1 1 1 -20 6  14 o 530.5230 10.33735 8289.131       321.6354 8335.689       457.6160 8243.677       452.1554 530.6365 14.71883 527.7298 14.62327 2.906677       20.74811 
1 1 1 -20 6  15 o 135.5969 15.17616 551.0603       118.6198 326.4298       157.2007 848.0784       180.7639 102.1035 26.14229 167.8236 18.68205 -65.72014      32.13158 
1 1 1 -20 6  16 o 211.4565 10.41292 1320.805       128.7379 1421.126       177.0370 1208.224       187.5428 218.7583 13.87047 201.1954 16.02631 17.56294       21.19511 
1 1 1 -20 6  17 o 265.6375 12.50869 2089.139       194.3256 2236.706       245.7144 1842.712       317.5267 274.2316 15.33899 246.8799 22.16597 27.35167       26.95580 
1 1 1 -20 6  18 o 92.57841 20.77116 266.4336       109.9965 301.0485       145.8712 220.8071       167.4737 97.96914 25.23436 86.52070 28.49032 11.44844       38.05878 
1 1 1 -20 6  19 o 352.8338 9.275335 3669.018       191.7668 3929.800       274.8004 3421.471       267.7361 364.3253 12.88135 339.7634 13.46296 24.56189       18.63278 
1 1 1 -20 6  20 o 565.6430 10.77935 9438.270       357.5902 9753.862       516.4459 9147.623       495.6149 573.0637 15.38028 555.0203 15.24039 18.04340       21.65231 
1 1 1 -20 6  21 o 178.1938 12.12969 942.3788       126.0074 999.4396       170.6194 873.9140       186.8932 182.7293 16.08499 170.0522 19.06762 12.67702       24.94596 
1 1 1 -20 6  22 o 303.0829 9.604221 2709.016       170.5004 2744.837       238.9145 2671.838       243.3960 304.2652 13.42177 300.0727 13.86795 4.192444       19.29933 
1 1 1 -20 6  23 o 474.6360 10.05706 6640.259       279.9512 6683.314       400.6004 6599.164       391.3821 474.6765 14.40675 471.7666 14.16169 2.909882       20.20169 
1 1 1 -20 6  24 o 127.0955 16.98105 488.9994       123.4099 391.5466       163.8651 616.7088       187.5861 111.5227 25.59665 141.2528 23.46710 -29.73006      34.72598 
1 1 1 -20 6  25 o 271.6382 9.869500 2178.450       156.9691 2268.744       222.9664 2089.724       221.0220 276.3361 13.80155 265.0617 14.27060 11.27435       19.85278 
1 1 1 -20 6  26 o 115.3440 16.77531 404.7044       110.1556 278.2984       152.0625 544.2875       159.7918 94.02785 26.46363 132.8977 21.21442 -38.86982      33.91719 
1 1 1 -20 6  27 o 295.3773 9.261474 2575.698       160.2399 2623.750       231.9690 2531.842       221.6125 297.0572 13.34905 291.9084 12.97729 5.148712       18.61739 
1 1 1 -20 6  28 o 41.56235 18.87494 -55.36683      100.0814 -102.5767      131.8351 8.844726       153.7522 45.26585 20.96079 58.92098 25.16031 -13.65513      32.74745 
1 1 1 -20 6  29 o 246.8182 9.545626 1802.419       137.9154 1833.861       194.8815 1770.873       195.2025 247.8858 13.45549 243.4933 13.72491 4.392471       19.22039 
1 1 1 -20 6  30 o 114.9074 16.33829 403.6181       107.0052 351.9216       143.3436 468.6850       160.8155 105.0216 23.82227 121.7143 23.37818 -16.69275      33.37724 
1 1 1 -20 6  31 o 319.0511 9.255377 3012.059       172.9998 3009.490       249.1475 3014.450       240.4040 317.3511 13.41674 317.8265 12.92433 -0.4753723     18.62920 
1 1 1 -20 6  32 o 139.2070 14.53623 587.1566       116.9292 549.9594       163.1745 626.4182       167.6417 132.0870 21.82564 141.5698 20.81182 -9.482803      30.15775 
1 1 1 -20 6  33 o 59.83643 22.02175 93.36499       101.6384 117.4950       145.4246 70.32256       142.1096 68.58622 26.11197 62.45110 25.18834 6.135124       36.28068 
1 1 1 -20 6  34 o 217.5681 9.970634 1411.836       126.8856 1430.321       187.9954 1396.369       171.9614 216.7820 14.87696 214.7662 13.72439 2.015839       20.24063 
1 1 1 -20 6  35 o 39.77013 18.17719 -52.14555      94.72674 -76.25055      137.0950 -30.12352      131.0379 47.13303 21.66313 49.61932 22.14219 -2.486286      30.97689 
1 1 1 -20 6  36 o 113.1768 15.12085 398.5407       97.85654 448.7581       140.3929 351.0901       136.4706 117.2076 21.20428 102.3478 23.26488 14.85977       31.47818 
1 1 1 -20 6  37 o 75.37718 21.50939 188.9759       99.75771 290.8715       143.0486 92.50598       139.1880 91.61076 25.62594 62.85845 25.07302 28.75231       35.85171 
1 1 1 -20 6  38 o 106.2872 16.72224 360.1318       100.7985 325.9158       355.1236 363.1299       105.1220 94.93489 39.23090 106.3710 17.45572 -11.43610      42.93909 
1 1 1 -20 6  39 o 75.16279 21.89661 192.7236       102.3852 467.2431       351.7957 167.3195       107.0177 102.9928 40.23727 70.47034 22.74598 32.52245       46.22140 
1 1 1 -20 6  40 o 60.45006 21.72013 113.1812       98.05451 -67.74449      355.1563 128.1101       102.0198 71.31664 33.47672 63.21797 22.21132 8.098663       40.17503 
1 1 1 -20 6  41 o 57.82666 22.01851 95.93520       103.4118 -267.8486      358.0665 129.0392       108.0146 63.62894 30.85326 63.31931 22.79087 0.3096275      38.35815 
1 1 1 -20 6  42 o 58.09348 22.98250 91.31229       116.0278 -625.0122      369.0164 169.8994       122.2268 55.06920 27.52840 69.82251 24.32733 -14.75331      36.73733 
1 1 1 -20 6  43 o 45.27059 20.17401 -8.869692      108.3914 240.2424       364.8578 -32.98341      113.5163 82.16105 36.78522 44.05755 20.04481 38.10350       41.89209 
1 1 1 -20 6  44 o 85.76417 23.43438 270.5527       121.1985 468.8745       385.7668 248.8333       127.6627 93.23852 39.83512 81.45591 24.63390 11.78261       46.83659 
1 1 1 -20 6  45 o 74.16783 25.33494 207.1359       132.3218 0.000000       0.000000 207.1359       132.3218 ?        ?        74.16783 25.33494 0.000000       25.33494 
1 1 1 -20 7  1  o 384.1445 13.66761 4354.620       307.4292 4617.478       414.4663 4033.105       458.3845 394.6955 17.95209 367.9952 21.33058 26.70032       27.87958 
1 1 1 -20 7  2  o 327.6859 13.78456 3170.588       264.3201 3187.024       342.5614 3146.406       415.5264 327.7670 17.88842 324.7225 21.94799 3.044464       28.31449 
1 1 1 -20 7  3  o 470.9511 13.90417 6544.232       383.6151 6614.849       522.9309 6461.950       564.4750 472.2534 18.91902 466.2355 20.69534 6.017853       28.03972 
1 1 1 -20 7  4  o 657.8956 13.77045 12759.85       531.3194 12307.22       869.9835 13029.10       670.9901 642.6308 23.12104 663.5790 17.25606 -20.94818      28.85054 
1 1 1 -20 7  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 7  6  o 165.5888 16.54556 818.4217       158.5313 927.7408       206.9243 663.0724       246.6709 175.6423 20.47106 145.9658 29.82345 29.67650       36.17323 
1 1 1 -20 7  7  o 326.7061 10.97812 3145.017       210.0479 3116.576       302.1155 3171.628       292.2361 324.3653 15.93010 327.3583 15.26361 -2.992950      22.06232 
1 1 1 -20 7  8  o 304.7820 9.964316 2735.461       177.8702 2689.591       233.8779 2798.390       273.9384 301.7248 13.24914 307.4131 15.24181 -5.688263      20.19536 
1 1 1 -20 7  9  o 105.2477 21.57533 341.4940       128.6978 409.6838       161.5283 222.9587       212.9673 114.9254 24.70095 90.88792 32.07805 24.03743       40.48627 
1 1 1 -20 7  10 o 326.1783 9.684665 3132.719       185.0585 3196.171       249.7376 3055.449       275.5928 328.9341 12.97110 321.2706 14.66538 7.663513       19.57863 
1 1 1 -20 7  11 o 316.3930 9.691720 2948.184       179.6246 3019.816       244.5394 2864.245       264.7134 319.6559 13.07172 311.0069 14.55330 8.649017       19.56191 
1 1 1 -20 7  12 o 279.7497 9.961127 2306.399       163.1680 2263.753       219.1498 2359.448       244.4220 276.5593 13.55273 282.1048 14.82540 -5.545532      20.08653 
1 1 1 -20 7  13 o 264.0784 9.890710 2055.780       152.9124 2179.752       209.6642 1914.906       223.4998 271.3852 13.21280 253.9608 15.07364 17.42436       20.04477 
1 1 1 -20 7  14 o 189.1438 11.58786 1058.836       127.9252 1007.055       170.3823 1125.743       193.6750 183.6702 15.97620 194.0068 17.19987 -10.33659      23.47497 
1 1 1 -20 7  15 o 337.6046 9.065660 3356.808       179.3350 3214.192       246.2542 3517.857       261.6845 329.6444 12.76170 344.8402 12.96234 -15.19583      18.19020 
1 1 1 -20 7  16 o 207.0250 10.52379 1266.515       127.3558 1194.206       170.3499 1358.143       191.7619 200.2923 14.60229 213.4891 15.41957 -13.19685      21.23653 
1 1 1 -20 7  17 o 328.6835 8.997157 3182.707       173.2707 3023.626       236.6192 3366.641       254.4329 319.6299 12.64766 337.2409 12.88791 -17.61105      18.05718 
1 1 1 -20 7  18 o 193.7637 11.19846 1111.491       126.7147 1238.133       173.6759 967.3423       185.2908 203.8847 14.62169 179.3565 17.85193 24.52821       23.07565 
1 1 1 -20 7  19 f 306.7607 9.319490 2774.171       167.4706 2759.200       233.6405 2789.991       240.1728 305.1456 13.08583 306.7738 13.38138 -1.628235      18.71631 
1 1 1 -20 7  20 o 306.0571 9.460270 2761.994       169.6035 2827.731       233.2429 2688.236       247.0645 308.9554 12.90087 300.9431 14.03697 8.012268       19.06486 
1 1 1 -20 7  21 o 291.4498 9.719041 2505.625       165.8937 2538.758       230.6936 2470.144       238.7309 292.5806 13.48057 288.4245 14.15646 4.156036       19.54818 
1 1 1 -20 7  22 o 371.1293 9.526546 4060.294       207.1820 4079.299       293.8698 4041.512       292.1371 371.0107 13.52838 369.2909 13.51140 1.719757       19.12001 
1 1 1 -20 7  23 o 486.0344 10.19170 6964.408       290.5119 7044.397       421.4185 6891.970       401.0310 487.1714 14.76668 482.0859 14.19961 5.085510       20.48619 
1 1 1 -20 7  24 o 303.9105 9.452623 2724.051       168.2752 2602.338       231.6471 2860.040       244.8561 296.1818 13.37024 310.4997 13.47830 -14.31787      18.98494 
1 1 1 -20 7  25 o 411.4456 9.493489 4990.116       229.0809 4801.452       322.8558 5181.406       325.0945 402.2346 13.70609 418.0156 13.27754 -15.78091      19.08271 
1 1 1 -20 7  26 o 184.2124 11.21224 1006.609       120.5592 941.6789       163.8694 1083.218       177.9984 177.1009 15.94772 189.9917 16.12687 -12.89084      22.68052 
1 1 1 -20 7  27 o 315.5683 9.312027 2940.317       172.1523 2880.614       247.1730 2996.563       239.9096 311.1467 13.57789 317.5780 12.90781 -6.431335      18.73421 
1 1 1 -20 7  28 o 63.11205 22.21774 108.7039       102.1145 41.51900       134.3730 200.5357       157.0989 58.83445 24.20408 82.10049 27.60905 -23.26605      36.71644 
1 1 1 -20 7  29 o 77.28336 21.88151 187.2804       103.6434 200.4306       137.6624 170.0726       157.4753 80.77052 25.77127 77.73969 27.57033 3.030823       37.73965 
1 1 1 -20 7  30 o 87.10960 20.47929 239.6585       102.8501 484.8775       143.4321 -19.87768      147.5599 124.8720 20.28051 54.91143 24.04174 69.96056       31.45321 
1 1 1 -20 7  31 o 90.96979 20.97903 262.6261       109.6412 114.7483       151.3570 425.8983       159.0403 69.56699 26.60178 115.2812 24.29095 -45.71421      36.02367 
1 1 1 -20 7  32 o 180.6044 11.73885 975.2138       123.6644 827.7394       173.5898 1127.183       176.2156 164.0226 18.36022 192.8078 15.71995 -28.78528      24.17053 
1 1 1 -20 7  33 f 126.1945 15.12223 487.2471       109.6936 566.9037       160.6630 417.6907       150.1322 133.7903 21.18025 113.5848 23.31901 20.20556       31.50205 
1 1 1 -20 7  34 o 123.7720 14.70529 470.2660       104.6608 570.0861       160.5028 396.4228       138.0476 133.4936 21.20946 110.5006 22.07458 22.99300       30.61255 
1 1 1 -20 7  35 o 273.8134 9.228174 2235.190       147.9790 2173.513       215.4044 2290.314       203.6387 267.3230 13.78596 275.2038 12.65082 -7.880798      18.71085 
1 1 1 -20 7  36 o 138.7386 13.27026 589.3527       106.6616 756.6190       157.3593 447.1859       145.0733 155.0020 17.62282 116.4192 22.05487 38.58282       28.23086 
1 1 1 -20 7  37 o 70.46266 25.05317 156.3524       130.1070 288.0382       348.6811 135.0514       140.2355 93.54617 38.78509 68.21215 25.71648 25.33401       46.53623 
1 1 1 -20 7  38 o 74.20634 21.65183 185.2751       100.0395 300.3592       362.0964 175.7648       104.0910 93.00027 39.11029 72.38122 22.31352 20.61905       45.02786 
1 1 1 -20 7  39 o 44.91025 19.63097 -0.4954385     98.03144 241.0106       362.4437 -19.55755      101.8268 87.44717 37.99225 43.72776 19.51558 43.71940       42.71146 
1 1 1 -20 7  40 o 63.09841 21.96791 128.5982       99.65778 96.33585       376.8676 131.0238       103.3363 79.42326 36.28400 63.70130 22.35628 15.72196       42.61845 
1 1 1 -20 7  41 o 141.8944 13.93694 631.7993       114.4852 1190.815       401.7438 582.3901       119.4375 157.4568 42.51678 135.2810 15.32359 22.17581       45.19390 
1 1 1 -20 7  42 o 61.31448 22.56708 119.7767       106.7372 -646.8607      377.9806 186.2081       111.2657 55.26617 27.66160 72.42284 23.17562 -17.15668      36.08703 
1 1 1 -20 7  43 f 77.26786 23.43631 217.0117       115.4330 42.24583       411.8069 231.9146       120.2540 75.18510 35.52418 79.56015 23.87489 -4.375046      42.80161 
1 1 1 -20 7  44 o 50.67207 22.69079 -0.6216155     138.8911 -85.00120      399.1696 11.00135       148.1485 69.22768 33.32238 52.91074 23.58162 16.31694       40.82246 
1 1 1 -20 7  45 o 33.39853 16.66225 -292.2884      132.2602 -360.3772      398.5715 -283.8631      140.2045 61.36897 30.32145 35.15697 17.47674 26.21199       34.99752 
1 1 1 -20 8  1  o 506.7387 12.18582 7562.026       362.1506 7240.833       564.6805 7786.442       472.0055 493.8428 19.53535 513.2495 15.69925 -19.40668      25.06185 
1 1 1 -20 8  2  o 597.9392 15.75382 10566.49       551.9692 10970.90       779.0870 10158.91       782.1266 607.0847 21.91793 583.7617 22.88935 23.32306       31.69098 
1 1 1 -20 8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 8  4  o 383.7981 12.97016 4345.884       291.5239 4070.794       366.0048 4823.263       482.1489 370.6483 16.88169 402.5608 20.48943 -31.91248      26.54823 
1 1 1 -20 8  5  o 256.5628 14.64851 1949.013       219.4972 1909.874       269.1422 2026.745       379.2963 253.2925 18.24009 259.2395 25.26781 -5.946930      31.16349 
1 1 1 -20 8  6  o 160.2518 16.09074 766.5750       149.1828 804.2187       195.5325 714.1400       230.7722 163.2231 20.90549 152.2560 26.82349 10.96712       34.00793 
1 1 1 -20 8  7  o 408.5964 10.98686 4918.222       263.0415 4933.970       405.2160 4906.754       345.8026 407.9571 16.97350 407.4281 14.49504 0.5290527      22.32052 
1 1 1 -20 8  8  o 247.4244 10.71458 1805.407       155.1092 1780.860       200.9456 1841.594       243.9789 245.2362 14.03006 248.8767 16.81413 -3.640503      21.89881 
1 1 1 -20 8  9  o 325.4728 9.732641 3119.328       185.5700 3201.376       249.1952 3017.187       278.0388 329.2090 12.93193 319.2007 14.89327 10.00821       19.72420 
1 1 1 -20 8  10 o 187.5406 12.02878 1040.942       131.6048 1058.495       166.3529 1011.579       215.1589 188.6158 15.16614 183.2919 20.35847 5.323883       25.38660 
1 1 1 -20 8  11 o 247.9791 12.89167 1819.307       186.8449 1836.834       226.4458 1781.920       330.7235 248.6662 15.60603 242.9347 23.50599 5.731506       28.21488 
1 1 1 -20 8  12 o 137.5268 15.71766 567.0663       124.4987 642.8284       159.6450 449.4779       198.8894 145.8246 19.12768 119.5740 28.72209 26.25068       34.50836 
1 1 1 -20 8  13 f 292.2579 9.409871 2516.384       161.0772 2478.836       221.4377 2558.579       234.7388 289.4399 13.07875 293.9505 13.65364 -4.510559      18.90702 
1 1 1 -20 8  14 o 265.4068 9.482619 2076.276       147.3643 2117.780       202.2512 2029.307       215.1562 267.4627 12.93201 261.5726 14.07713 5.890167       19.11551 
1 1 1 -20 8  15 o 303.1249 9.259621 2707.514       164.4205 2701.025       227.3873 2714.625       238.0288 302.0831 12.86426 302.7154 13.44091 -0.6323547     18.60503 
1 1 1 -20 8  16 o 221.5943 11.69820 1453.282       151.4911 1563.119       176.1902 1141.832       296.6898 229.5679 13.14130 192.3220 27.05062 37.24588       30.07374 
1 1 1 -20 8  17 o 71.85979 22.43653 154.4878       104.8647 92.76459       133.8665 252.5209       168.7074 65.54208 25.02867 91.06854 28.46190 -25.52647      37.90138 
1 1 1 -20 8  18 o 137.1012 14.13926 562.4754       112.0603 437.4499       142.2950 766.6280       181.8309 119.1372 21.13948 158.9322 19.94580 -39.79501      29.06394 
1 1 1 -20 8  19 o 106.3928 18.73103 347.3086       112.6089 286.2472       143.4364 445.4058       181.8043 95.54065 25.22972 118.8807 26.72730 -23.34009      36.75442 
1 1 1 -20 8  20 o 193.8817 11.28923 1113.149       127.8112 1222.781       169.6521 969.2562       194.3619 202.6440 14.36814 179.2748 18.76352 23.36913       23.63288 
1 1 1 -20 8  21 o 334.0560 9.342867 3289.425       182.8619 3132.543       249.4082 3471.790       268.9022 325.1660 13.10526 342.2629 13.42229 -17.09686      18.75916 
1 1 1 -20 8  22 o 217.5576 11.03555 1400.073       140.3454 1467.678       185.1207 1308.699       215.2193 222.1223 14.28635 208.8722 17.73669 13.25006       22.77477 
1 1 1 -20 8  23 o 225.5547 10.91214 1504.616       143.9203 1605.789       196.0197 1386.291       211.9845 232.3029 14.45949 215.1794 16.93419 17.12352       22.26755 
1 1 1 -20 8  24 o 475.2226 9.918718 6658.445       276.4415 6770.141       400.1916 6556.504       382.3153 477.5916 14.30377 470.1546 13.88054 7.437012       19.93156 
1 1 1 -20 8  25 o 121.0034 16.54698 444.0705       114.3538 456.1272       151.3167 428.0150       174.6156 121.2146 22.09937 116.2817 26.23124 4.932938       34.29956 
1 1 1 -20 8  26 o 44.83125 19.96793 -37.20892      106.0473 9.795108       137.0462 -107.3567      167.4196 56.14403 23.85680 52.41957 24.03613 3.724461       33.86565 
1 1 1 -20 8  27 o 242.5958 11.17798 1745.089       158.6092 1972.246       208.4714 1432.877       244.4042 257.1841 13.87274 217.3062 19.38040 39.87798       23.83386 
1 1 1 -20 8  28 o 54.23753 21.48305 52.26480       101.4955 -27.14887      133.5929 160.6794       156.0917 51.68676 22.74483 76.48309 27.41357 -24.79633      35.62066 
1 1 1 -20 8  29 o 133.8408 14.33787 540.3400       110.7925 613.7739       150.9004 454.4592       163.1887 141.4686 18.64095 119.6406 24.09165 21.82796       30.46133 
1 1 1 -20 8  30 o 71.57684 21.96580 158.0526       101.0123 87.11219       137.5655 241.0542       148.8010 64.48186 25.17033 87.27763 26.63659 -22.79576      36.64769 
1 1 1 -20 8  31 f 315.2740 9.420652 2943.944       173.9932 2815.839       251.4907 3061.558       240.9733 306.4837 14.02869 320.1538 12.86010 -13.67017      19.03119 
1 1 1 -20 8  32 o 134.1328 14.84654 547.2042       114.8384 316.0597       162.1700 779.6996       162.6432 98.00748 27.23696 159.2973 17.70803 -61.28982      32.48732 
1 1 1 -20 8  33 o 54.86783 21.55670 61.97830       101.4496 212.9537       149.7467 -66.09930      137.9243 81.72746 26.94164 48.52276 22.08359 33.20470       34.83586 
1 1 1 -20 8  34 o 262.0802 9.331584 2045.521       143.2011 2018.617       205.9134 2070.720       199.2833 258.1078 13.65149 261.8054 13.01987 -3.697601      18.86479 
1 1 1 -20 8  35 o 132.3415 13.90292 537.4221       106.2983 491.5056       153.7703 579.4461       147.1079 122.4652 22.22804 134.9445 19.12292 -12.47932      29.32187 
1 1 1 -20 8  36 o 52.06507 22.38227 15.40427       123.1854 -392.8835      391.5504 60.25551       129.7752 66.59861 32.28625 58.01725 23.81837 8.581356       40.12127 
1 1 1 -20 8  37 o 61.15577 21.97606 111.0377       100.3820 -349.0331      378.0493 145.9350       104.1195 65.98560 31.92580 67.35483 22.47415 -1.369232      39.04285 
1 1 1 -20 8  38 o 72.37626 21.81204 176.2362       100.2142 453.0504       364.8142 153.6430       104.2236 103.1000 40.76343 68.28310 22.47493 34.81693       46.54868 
1 1 1 -20 8  39 o 120.5000 15.57971 460.2840       107.5280 251.8482       387.0938 477.7124       111.9333 88.55875 38.85178 122.5762 15.94828 -34.01746      41.99772 
1 1 1 -20 8  40 o 157.4670 11.62557 760.0771       106.6059 891.3450       431.1231 751.5281       110.0226 128.6400 45.61842 156.2969 12.09684 -27.65692      47.19506 
1 1 1 -20 8  41 o 83.68437 21.23468 243.4992       104.3707 -548.4702      416.4119 296.5872       107.8121 60.87469 30.23719 93.14733 20.30937 -32.27264      36.42469 
1 1 1 -20 8  42 o 64.15171 23.32040 136.3725       113.4486 -357.9772      379.3011 184.9423       118.8912 61.64267 30.28603 71.97179 24.01555 -10.32912      38.65217 
1 1 1 -20 8  43 o 71.30839 24.30080 183.0216       121.7270 -145.2893      389.1074 218.6380       128.1597 67.67462 32.65615 76.85850 24.89857 -9.183876      41.06535 
1 1 1 -20 8  44 o 74.54768 24.73899 207.3467       126.1988 112.4948       364.3327 220.2788       134.5269 74.50571 34.61908 76.27531 25.54768 -1.769600      43.02516 
1 1 1 -20 8  45 o 69.24608 24.51219 174.6441       124.4285 241.9559       409.1844 167.7855       130.6139 80.47617 37.14577 68.29065 24.99211 12.18552       44.77068 
1 1 1 -20 9  1  o 290.8877 12.01272 2496.376       204.4946 2416.837       286.9650 2578.441       291.4861 285.2905 17.23140 294.7689 16.93234 -9.478363      24.15833 
1 1 1 -20 9  2  o 370.0174 12.82040 4039.823       277.7906 3984.848       361.3385 4119.270       434.3798 366.6634 16.84839 372.0107 19.98299 -5.347260      26.13787 
1 1 1 -20 9  3  o 215.0908 14.93270 1372.445       187.2000 1499.685       230.2832 1124.538       321.4362 224.3943 17.64020 191.1869 29.62494 33.20734       34.47918 
1 1 1 -20 9  4  o 258.9395 13.25510 1982.119       200.6247 1931.044       243.0709 2091.277       355.3494 255.0375 16.33684 263.8588 23.19921 -8.821259      28.37421 
1 1 1 -20 9  5  o 214.7892 14.98875 1369.089       187.6266 1373.431       220.7008 1357.769       356.3273 214.6341 17.68984 210.3235 29.71432 4.310593       34.58138 
1 1 1 -20 9  6  o 155.8257 16.30035 725.8967       146.7645 876.5869       185.4073 473.0271       240.1777 170.9064 18.80825 122.6965 32.76163 48.20993       37.77664 
1 1 1 -20 9  7  o 269.4726 11.06326 2141.779       174.4711 2188.197       238.9456 2088.770       255.3493 271.7180 15.05327 265.1681 16.50139 6.549866       22.33600 
1 1 1 -20 9  8  o 98.92210 21.83749 302.8331       123.2967 184.8603       149.8984 549.6089       216.7990 80.54591 26.96763 132.5836 28.71416 -52.03773      39.39234 
1 1 1 -20 9  9  o 454.4119 9.942567 6076.829       264.9712 6059.650       368.4489 6095.230       381.3350 452.7902 13.89133 454.0017 14.33982 -1.211548      19.96495 
1 1 1 -20 9  10 o 283.0025 9.758679 2359.750       161.7267 2346.432       213.5709 2377.654       247.6199 281.6920 12.96232 283.1735 14.96327 -1.481506      19.79700 
1 1 1 -20 9  11 o 305.2244 9.601922 2744.432       171.6672 2894.332       231.4007 2560.956       256.0083 312.9401 12.63417 293.8764 14.90249 19.06372       19.53730 
1 1 1 -20 9  12 o 63.21074 22.89546 100.1485       109.2198 69.65971       135.5154 156.6634       184.5015 63.01911 24.86687 80.08443 29.63552 -17.06532      38.68624 
1 1 1 -20 9  13 o 95.93850 20.51915 284.8819       111.9583 450.8607       141.7414 9.537621       182.5612 121.2917 20.66596 64.63787 27.50294 56.65386       34.40194 
1 1 1 -20 9  14 o 275.2767 9.453227 2233.666       152.3896 2233.568       209.2470 2233.777       222.3742 274.6321 13.02859 274.4685 13.85955 0.1636047      19.02187 
1 1 1 -20 9  15 o 374.6891 9.157944 4133.117       201.2424 4073.284       280.6502 4196.440       288.7209 371.0252 12.91738 376.5527 13.09373 -5.527466      18.39305 
1 1 1 -20 9  16 o 151.8971 15.64481 691.5797       137.3794 855.6413       158.4029 193.6460       275.9596 169.0050 16.17863 92.86416 35.81451 76.14080       39.29921 
1 1 1 -20 9  17 o 201.1033 10.66857 1196.009       125.3773 1002.298       159.9964 1504.231       201.8201 183.2493 15.01902 224.6418 15.41214 -41.39244      21.51987 
1 1 1 -20 9  18 o 153.6254 13.13671 703.0879       117.2239 632.1874       151.3258 809.4724       185.3649 144.5231 18.26046 163.4218 19.73995 -18.89870      26.89070 
1 1 1 -20 9  19 o 245.8754 9.838728 1784.338       141.5881 1758.632       189.2054 1817.055       213.4515 243.4416 13.30276 247.1216 14.79555 -3.680069      19.89653 
1 1 1 -20 9  20 o 236.0088 10.27153 1645.183       141.8316 1665.200       185.9440 1617.335       219.3240 236.8400 13.44198 232.7651 16.16684 4.074890       21.02507 
1 1 1 -20 9  21 o 36.48173 17.58679 -170.4237      112.1851 -291.8987      141.6455 34.02043       183.7581 37.40052 18.40160 66.82635 27.96632 -29.42583      33.47736 
1 1 1 -20 9  22 o 402.0853 9.766010 4764.139       230.2957 4865.413       328.1125 4665.804       323.3152 405.1139 13.83033 396.6794 13.91904 8.434479       19.62187 
1 1 1 -20 9  23 o 111.1777 18.94037 379.0833       119.0742 475.0623       158.5121 254.7750       180.3949 123.7991 22.66710 91.79645 29.52289 32.00263       37.22094 
1 1 1 -20 9  24 o 129.7300 15.50432 507.0647       115.6297 646.9979       153.1140 321.3392       176.3966 146.0878 18.26938 100.9088 28.53814 45.17899       33.88504 
1 1 1 -20 9  25 o 120.6498 15.99527 440.7933       110.3940 435.7546       142.1712 448.4444       175.1913 118.6027 21.21836 119.1024 25.82629 -0.4996719     33.42478 
1 1 1 -20 9  26 o 228.2808 10.29993 1542.164       137.5416 1664.431       189.0166 1404.563       200.5191 236.3665 13.69389 216.4563 15.90665 19.91019       20.98915 
1 1 1 -20 9  27 o 387.6554 9.462760 4436.656       215.1365 4523.327       312.9074 4358.956       296.2717 389.7491 13.71062 382.8003 13.21659 6.948792       19.04362 
1 1 1 -20 9  28 o 122.1330 16.06425 453.7939       112.2782 385.2307       154.2601 531.0373       163.7338 109.9445 24.54564 130.3531 22.21309 -20.40855      33.10453 
1 1 1 -20 9  29 o 45.35413 19.70647 -10.60704      97.53411 46.65756       131.1397 -81.49484      145.9072 58.68295 24.00054 49.63427 22.63740 9.048679       32.99209 
1 1 1 -20 9  30 o 57.44240 21.95308 73.84270       103.0415 -34.92451      140.6747 199.7547       151.3563 52.19728 23.13752 81.12001 27.09739 -28.92273      35.63163 
1 1 1 -20 9  31 o 179.1997 11.80038 959.6765       123.3276 837.2530       172.8774 1086.544       175.9873 165.1950 18.14214 189.2877 16.00268 -24.09268      24.19138 
1 1 1 -20 9  32 o 101.6721 18.70462 324.8560       107.4239 338.3175       156.5456 312.8756       147.6821 101.3617 26.15840 97.66949 25.50883 3.692253       36.53713 
1 1 1 -20 9  33 o 200.1040 10.83638 1197.850       126.6972 1227.106       182.4011 1170.575       176.1179 200.4296 15.64103 195.8230 15.46054 4.606598       21.99250 
1 1 1 -20 9  34 o 244.9131 9.581857 1789.451       137.3642 2046.196       212.1681 1604.168       180.2385 259.4573 13.99504 229.9789 13.42148 29.47835       19.39065 
1 1 1 -20 9  35 o 56.61647 21.30303 83.37583       96.12708 -176.7260      405.0571 98.89890       98.95398 75.51884 35.54370 59.46012 21.75442 16.05873       41.67265 
1 1 1 -20 9  36 o 113.9033 16.06687 407.8250       104.3516 669.1818       394.4948 388.1618       108.2058 123.3876 43.64881 110.5266 17.25663 12.86098       46.93623 
1 1 1 -20 9  37 f 51.59031 20.61214 55.09101       94.22097 540.5322       379.9123 23.27585       97.25953 111.3016 42.24472 47.89246 20.21226 63.40916       46.83110 
1 1 1 -20 9  38 o 123.7082 15.24953 481.7445       108.2991 506.7401       389.0691 479.6451       112.7554 105.8693 42.02073 123.0194 16.00762 -17.15018      44.96650 
1 1 1 -20 9  39 o 57.43849 21.52154 94.28430       97.88852 -193.3790      348.6665 118.8984       101.9905 66.36698 31.73248 61.77770 22.15730 4.589279       38.70267 
1 1 1 -20 9  40 o 53.45721 20.88916 72.56608       94.83130 -441.9838      425.4175 99.47121       97.27901 64.61552 31.81104 57.92215 21.50328 6.693371       38.39705 
1 1 1 -20 9  41 o 42.99757 19.71167 -46.50671      112.5162 0.000000       0.000000 -46.50671      112.5162 ?        ?        42.99757 19.71167 0.000000       19.71167 
1 1 1 -20 9  42 o 112.4339 17.91327 419.4108       114.1598 565.4662       385.5208 405.3728       119.5201 101.7052 41.31764 109.5054 19.31614 -7.800148      45.60987 
1 1 1 -20 9  43 o 44.43050 20.54089 -55.47856      125.8551 -216.8284      380.3383 -35.63890      133.3684 64.76063 31.49335 47.21506 21.57554 17.54557       38.17506 
1 1 1 -20 9  44 o 60.29171 23.25342 113.8978       116.3361 162.5558       331.3305 107.0555       124.2467 75.49644 34.30820 59.96463 23.76358 15.53181       41.73441 
1 1 1 -20 9  45 o 106.7564 19.54907 393.4157       117.8878 284.2264       430.9185 402.2487       122.5635 82.07668 37.96757 107.4459 20.19116 -25.36922      43.00255 
1 1 1 -20 10 1  o 197.5860 15.62852 1160.920       179.6286 1076.180       210.4374 1388.443       344.8198 189.5057 19.19894 213.1340 28.28349 -23.62836      34.18414 
1 1 1 -20 10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 3  f 508.3681 11.88661 7613.730       354.3943 6715.624       524.4301 8368.577       480.7874 475.4176 18.84618 531.9106 15.42848 -56.49304      24.35603 
1 1 1 -20 10 4  o 153.0255 16.04502 699.9612       141.8587 488.9836       172.6302 1138.688       248.9406 125.8792 24.26332 194.2510 22.25275 -68.37180      32.92253 
1 1 1 -20 10 5  o 417.2146 13.27311 5140.084       324.3619 4857.330       403.4786 5656.695       545.3788 404.6488 17.03982 435.3128 21.42807 -30.66400      27.37731 
1 1 1 -20 10 6  o 391.6376 10.98808 4520.150       252.1316 4894.594       392.3830 4256.819       329.0543 406.3005 16.50125 379.2718 14.82189 27.02869       22.18061 
1 1 1 -20 10 7  o 429.2125 10.88548 5428.480       273.7916 5519.686       426.0175 5364.300       357.3661 431.3456 16.87291 425.9098 14.32729 5.435883       22.13518 
1 1 1 -20 10 8  o 338.5571 10.57001 3378.189       209.6165 3371.079       300.7503 3384.906       292.3146 337.2832 15.24350 338.0814 14.77846 -0.7981262     21.23128 
1 1 1 -20 10 9  o 107.6031 20.82564 356.3612       126.6727 310.0916       160.2927 433.3158       206.7203 99.76614 26.82018 117.3645 29.94062 -17.59836      40.19655 
1 1 1 -20 10 10 o 207.6275 10.72211 1273.196       130.1194 1297.282       165.5424 1234.259       210.4801 209.1439 13.56952 203.1344 17.84888 6.009521       22.42129 
1 1 1 -20 10 11 o 408.7727 9.513375 4918.022       228.0694 4738.875       309.2154 5131.754       337.7477 400.3661 13.18701 416.4774 13.84697 -16.11130      19.12160 
1 1 1 -20 10 12 o 235.9711 10.30469 1643.330       142.2643 1816.063       193.6840 1440.952       209.6469 247.5570 13.39021 219.8255 16.37919 27.73155       21.15598 
1 1 1 -20 10 13 o 73.73219 22.36869 164.2536       105.1479 115.7691       128.5432 262.3004       182.7951 68.06258 24.81120 93.26521 29.69003 -25.20263      38.69230 
1 1 1 -20 10 14 f 202.4143 10.77047 1211.325       127.3973 1209.717       166.1019 1213.622       198.5408 201.6886 14.13187 201.4008 16.96648 0.2878723      22.08102 
1 1 1 -20 10 15 o 406.5178 9.367211 4866.470       223.3266 4690.515       308.9276 5059.083       323.2199 398.0475 13.25187 413.3780 13.34966 -15.33054      18.81025 
1 1 1 -20 10 16 o 131.1994 14.45699 515.9693       109.3979 452.0428       134.0512 643.4415       189.2946 121.5909 19.45383 144.5696 23.10338 -22.97871      30.20294 
1 1 1 -20 10 17 o 129.9358 14.88670 506.9303       111.3971 399.0476       140.0400 692.8193       183.8244 113.5009 21.83048 150.5777 21.41913 -37.07677      30.58347 
1 1 1 -20 10 18 o 269.3698 10.82133 2143.849       170.6065 2235.359       207.3683 1952.158       300.1289 274.6359 12.91076 254.6055 20.26684 20.03035       24.02983 
1 1 1 -20 10 19 o 177.2550 11.85314 931.9787       122.5122 934.8116       159.8777 927.9490       190.6809 176.7975 15.57836 175.3602 18.83558 1.437317       24.44308 
1 1 1 -20 10 20 o 369.4663 9.604162 4024.272       207.9297 3911.974       288.5192 4145.626       299.9263 363.3093 13.56472 373.9772 13.69788 -10.66791      19.27780 
1 1 1 -20 10 21 o 197.5389 11.76485 1156.308       135.6806 1015.905       172.8489 1381.704       219.0029 184.2312 16.16105 214.7124 17.54454 -30.48114      23.85352 
1 1 1 -20 10 22 o 161.5346 13.45921 777.6070       126.3499 875.2387       163.4577 632.6744       199.1559 170.7834 16.52584 142.7759 24.67644 28.00749       29.69899 
1 1 1 -20 10 23 o 339.8445 9.572917 3406.494       190.6084 3243.387       264.5612 3582.541       274.8554 330.6012 13.67445 347.5320 13.51099 -16.93076      19.22336 
1 1 1 -20 10 24 o 64.63917 22.76912 112.5096       107.2577 224.1907       131.2928 -111.5738      185.9756 84.97183 24.80766 55.71836 25.46755 29.25347       35.55301 
1 1 1 -20 10 25 o 286.1292 9.318035 2416.676       156.1556 2305.419       215.9163 2538.688       226.1110 278.5149 13.25669 292.3045 13.22397 -13.78961      18.72466 
1 1 1 -20 10 26 o 406.5703 9.535732 4878.736       227.3737 4721.629       325.0669 5029.232       318.1544 398.2777 13.93819 411.3725 13.20429 -13.09482      19.19964 
1 1 1 -20 10 27 o 307.3068 9.367962 2790.909       168.6399 2671.769       238.8251 2909.387       238.1620 299.3701 13.63840 312.6491 13.01715 -13.27908      18.85343 
1 1 1 -20 10 28 o 278.8105 9.591629 2299.936       156.6047 2087.208       215.5651 2537.693       227.8939 264.2663 13.95818 291.6859 13.35738 -27.41953      19.31969 
1 1 1 -20 10 29 o 136.3628 14.63668 561.8203       115.2249 512.3580       160.9633 613.8056       165.0176 127.7193 22.30013 140.6860 20.61113 -12.96672      30.36634 
1 1 1 -20 10 30 o 161.2054 13.04245 779.7352       122.2553 678.5302       170.9217 885.7529       174.9386 147.9350 20.22980 170.3024 17.77662 -22.36739      26.93053 
1 1 1 -20 10 31 o 263.9231 9.881514 2067.834       152.6806 2121.984       227.2963 2023.312       206.1022 265.4344 14.65798 259.6575 13.58137 5.776886       19.98274 
1 1 1 -20 10 32 o 40.62355 18.70964 -69.53244      102.9973 -180.6612      144.3906 45.59261       146.9638 42.55285 20.36619 60.36895 25.11752 -17.81610      32.33684 
1 1 1 -20 10 33 o 45.89434 19.81665 -0.3173247E-01 97.38779 -2.901447      139.6888 2.682262       135.8459 53.95874 23.51264 53.79744 23.31674 0.1612968      33.11366 
1 1 1 -20 10 34 o 207.1277 9.504110 1281.177       115.1439 1163.529       433.0501 1290.127       119.4435 169.4175 43.39610 207.7200 9.832599 -38.30252      44.49608 
1 1 1 -20 10 35 o 115.2973 15.61161 415.1023       102.8546 -15.27929      420.0336 442.5552       106.0843 82.61410 37.95164 119.1285 15.55514 -36.51440      41.01572 
1 1 1 -20 10 36 o 171.5799 10.74692 888.2393       107.6005 744.5617       368.3080 901.6466       112.5089 131.3528 42.17870 172.6818 11.16930 -41.32899      43.63251 
1 1 1 -20 10 37 f 81.70107 20.51138 223.2395       98.12398 -313.9279      394.3887 258.6852       101.3097 67.92384 32.80124 88.25504 20.03307 -20.33119      38.43495 
1 1 1 -20 10 38 o 52.80703 20.97518 63.39014       97.00993 -296.6907      381.3517 88.30367       100.3098 66.24236 32.05362 56.93105 21.68377 9.311310       38.69910 
1 1 1 -20 10 39 o 79.13226 20.63897 213.4387       96.76469 92.19834       389.4084 221.4178       99.89809 80.16573 36.72092 80.46074 20.96306 -0.2950134     42.28328 
1 1 1 -20 10 40 o 42.74191 20.46746 -151.1896      146.2502 0.000000       0.000000 -151.1896      146.2502 ?        ?        42.74191 20.46746 0.000000       20.46746 
1 1 1 -20 10 41 o 194.3609 10.57866 1152.452       120.1296 539.8948       360.3940 1229.020       127.4164 102.6783 40.54104 200.5100 10.87596 -97.83171      41.97455 
1 1 1 -20 10 42 o 100.4942 20.52143 348.7942       116.8538 118.4226       386.8098 371.9298       122.5811 77.30727 35.83471 103.5731 20.90168 -26.26581      41.48502 
1 1 1 -20 10 43 o 153.8268 13.58080 747.0334       121.2631 833.1393       372.9271 736.8527       128.2316 121.4788 42.48232 151.9713 14.56551 -30.49249      44.90992 
1 1 1 -20 10 44 o 75.25986 23.53059 209.4814       115.2993 -500.7416      355.6035 292.9179       121.8839 55.10104 27.46280 89.25813 23.10534 -34.15709      35.88958 
1 1 1 -20 10 45 o 78.48545 24.41721 234.3367       124.3169 -107.4015      436.6014 264.4879       129.6852 69.09479 33.63303 83.05578 24.76287 -13.96099      41.76578 
1 1 1 -20 11 1  o 350.6566 11.09950 3624.562       227.9756 3789.701       336.7203 3484.795       309.7751 357.5465 16.09910 342.9828 15.43969 14.56372       22.30617 
1 1 1 -20 11 2  o 379.1770 12.59951 4243.834       279.7967 4445.307       371.2421 3978.902       425.7115 387.2157 16.38462 365.3268 19.94499 21.88882       25.81198 
1 1 1 -20 11 3  o 525.4942 14.14568 8160.024       435.5591 7751.991       573.3703 8716.755       669.7452 510.5370 19.18362 540.6019 21.16516 -30.06488      28.56528 
1 1 1 -20 11 4  o 320.2412 12.19329 3027.420       228.5886 2861.607       281.8685 3345.990       390.6969 310.6893 15.51839 334.8645 19.98483 -24.17526      25.30245 
1 1 1 -20 11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 11 6  o 209.1309 11.97295 1293.402       146.2349 1362.161       186.4302 1183.439       235.7632 214.1445 14.93794 198.3450 20.56580 15.79953       25.41838 
1 1 1 -20 11 7  o 154.5476 13.91316 711.0734       124.7582 616.6914       150.9405 914.5822       221.6425 142.9748 18.42915 173.6537 22.27535 -30.67883      28.91063 
1 1 1 -20 11 8  o 284.5168 10.71132 2387.648       178.4126 2136.972       241.0848 2691.148       265.2729 268.2961 15.38615 301.2524 15.06232 -32.95630      21.53154 
1 1 1 -20 11 9  o 286.6424 10.26341 2422.561       172.2587 2382.252       235.8514 2468.648       252.1896 283.5321 14.22905 288.4836 14.95688 -4.951477      20.64399 
1 1 1 -20 11 10 o 281.6786 10.03101 2339.238       165.4457 2366.567       232.7169 2311.311       235.2548 282.5862 14.08633 279.1897 14.41657 3.396454       20.15594 
1 1 1 -20 11 11 o 279.7390 9.557066 2306.408       156.5632 2372.224       207.7992 2219.990       238.1109 283.1924 12.54269 273.4444 14.90406 9.747925       19.47948 
1 1 1 -20 11 12 o 206.1067 10.24885 1254.623       123.4961 1237.985       158.0153 1280.736       197.9585 204.2405 13.26361 207.1024 16.43278 -2.861862      21.11776 
1 1 1 -20 11 13 o 658.9775 11.84239 12817.38       457.6787 13069.46       657.2459 12580.07       637.7070 662.9764 16.91742 650.5375 16.72857 12.43896       23.79169 
1 1 1 -20 11 14 o 290.5718 9.420904 2489.000       160.3327 2458.753       216.9755 2525.382       237.9647 288.1407 12.87222 291.7791 13.94656 -3.638428      18.97895 
1 1 1 -20 11 15 o 359.1631 10.38657 3806.036       218.5536 3738.545       262.3493 3959.099       395.0876 355.4468 12.60500 363.8983 18.57385 -8.451416      22.44713 
1 1 1 -20 11 16 o 372.1078 10.83338 4087.702       236.1679 4351.421       292.8972 3597.622       399.2805 383.3602 13.04640 346.3538 19.73828 37.00647       23.66027 
1 1 1 -20 11 17 o 212.5731 10.60403 1335.908       131.7821 1300.888       174.0814 1382.915       201.6873 209.0689 14.28331 215.1702 16.09926 -6.101242      21.52206 
1 1 1 -20 11 18 o 335.8074 9.223159 3323.527       181.4717 3271.128       249.9935 3381.894       263.8460 332.3587 12.84961 337.8186 13.34356 -5.459869      18.52466 
1 1 1 -20 11 19 o 63.22628 23.04614 99.76823       110.9011 67.18687       139.2829 156.2022       183.3089 63.14004 25.11569 79.56767 29.52196 -16.42763      38.76008 
1 1 1 -20 11 20 o 77.52795 23.85312 181.9091       119.0217 246.0289       149.2965 70.09058       197.1561 89.27988 26.55735 72.19873 29.46608 17.08115       39.66790 
1 1 1 -20 11 21 o 318.4756 9.809331 2991.795       182.9987 3040.449       251.2334 2936.805       267.0925 320.2455 13.40619 314.4328 14.52305 5.812653       19.76474 
1 1 1 -20 11 22 o 99.16267 20.84531 305.5761       117.3743 270.4532       147.9512 365.2199       192.7994 92.98325 26.07998 107.3668 29.64464 -14.38356      39.48380 
1 1 1 -20 11 23 o 187.5101 11.83478 1043.325       129.4835 1026.841       169.2150 1066.611       201.1263 185.1834 15.72938 188.0380 18.47613 -2.854660      24.26480 
1 1 1 -20 11 24 o 59.29332 22.77615 74.18332       111.2925 92.75536       141.0578 43.55829       181.1364 66.31116 25.59719 67.00468 27.88239 -0.6935196     37.85028 
1 1 1 -20 11 25 o 316.0305 9.402127 2948.773       174.0694 3048.335       244.4420 2846.342       247.9379 320.3284 13.03883 309.3063 13.70197 11.02213       18.91441 
1 1 1 -20 11 26 o 263.3023 11.17678 2055.704       172.2000 2074.722       209.2445 2015.796       303.1162 263.8322 13.56866 257.5219 20.23222 6.310303       24.36086 
1 1 1 -20 11 27 o 222.9989 12.15013 1479.985       158.3035 1604.821       193.3341 1226.017       275.7573 231.5959 14.30381 198.5504 24.17933 33.04553       28.09339 
1 1 1 -20 11 28 o 177.8211 12.04897 943.1219       124.9140 872.1263       168.0557 1030.768       186.7259 169.4968 17.14136 184.2791 17.48665 -14.78223      24.48692 
1 1 1 -20 11 29 o 158.3842 13.04566 752.1348       120.1058 658.0576       168.4977 849.3060       171.2462 145.8022 20.25107 166.8748 17.77069 -21.07263      26.94259 
1 1 1 -20 11 30 o 184.1958 11.93595 1013.805       128.2456 971.8389       177.3589 1059.792       185.6589 178.5698 17.14581 186.5313 17.16353 -7.961533      24.26037 
1 1 1 -20 11 31 o 125.7182 15.91931 484.2461       114.7467 305.1443       158.1059 683.5754       166.7953 96.34732 26.93727 148.1973 19.67654 -51.84999      33.35840 
1 1 1 -20 11 32 o 64.82397 21.81356 126.3425       98.06633 56.20333       138.3895 197.0875       138.9859 60.00115 24.61046 78.86295 25.95361 -18.86179      35.76681 
1 1 1 -20 11 33 o 168.3827 10.38077 849.3401       102.0143 1323.493       466.9572 825.5758       104.5395 182.3228 44.14619 165.8555 10.80616 16.46732       45.44953 
1 1 1 -20 11 34 o 53.84790 21.09339 64.17795       96.89101 181.7569       446.7037 58.37317       99.25392 94.10030 41.49292 53.38527 21.21265 40.71503       46.60085 
1 1 1 -20 11 35 o 216.6735 9.575631 1405.577       121.3807 665.4523       438.2891 1467.057       126.3216 121.8959 45.56671 221.2831 9.757709 -99.38725      46.59977 
1 1 1 -20 11 36 o 54.66035 20.78737 76.80810       92.10040 338.6009       427.4440 64.06227       94.31579 98.54465 42.01193 53.01018 20.79752 45.53448       46.87792 
1 1 1 -20 11 37 o 86.93147 20.36505 252.8167       101.9976 130.4053       396.1300 261.5087       105.5568 84.54025 38.05074 88.26159 20.74491 -3.721336      43.33832 
1 1 1 -20 11 38 o 76.84358 21.32929 201.5322       99.51680 409.8275       404.1831 188.0899       102.6778 98.02640 41.27798 74.16651 22.01479 23.85989       46.78165 
1 1 1 -20 11 39 o 69.19871 22.83579 162.6893       107.5726 -195.5211      414.0085 188.6240       111.3987 70.69026 34.00330 73.71939 23.14082 -3.029129      41.13055 
1 1 1 -20 11 40 o 85.99686 20.95314 255.6203       104.6917 216.3972       390.2047 258.6628       108.6762 83.96104 37.77970 86.16449 21.56027 -2.203453      43.49886 
1 1 1 -20 11 41 o 94.51453 20.87287 309.7082       112.6052 358.4517       406.2221 305.6510       117.1980 89.66266 39.55085 93.21875 21.82432 -3.556091      45.17268 
1 1 1 -20 11 42 o 111.3307 17.69855 411.1555       111.6952 622.4605       399.8780 393.2740       116.3253 104.0665 42.15197 107.8549 19.08846 -3.788353      46.27265 
1 1 1 -20 11 43 o 28.31079 14.24203 -293.1246      106.6656 -445.2308      308.4995 -272.4717      113.6767 52.44181 26.04466 30.49816 15.25065 21.94365       30.18123 
1 1 1 -20 11 44 o 111.1960 19.65475 425.4707       123.4890 56.92565       384.3772 467.8880       130.4019 72.75619 34.35969 116.6074 19.77383 -43.85125      39.64331 
1 1 1 -20 12 1  o 537.1974 12.17849 8508.092       383.6878 7973.718       588.8224 8902.430       505.8197 517.5558 19.43340 548.2960 15.74636 -30.74011      25.01209 
1 1 1 -20 12 2  o 438.3129 13.04232 5673.681       334.8932 5344.446       427.1927 6198.626       539.4217 424.2818 17.20365 455.9330 20.22362 -31.65125      26.55109 
1 1 1 -20 12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 12 6  o 325.3766 10.69018 3121.623       203.7192 3286.087       285.9132 2952.023       290.3428 333.0502 14.67376 315.3865 15.74683 17.66367       21.52398 
1 1 1 -20 12 7  o 284.5441 10.68324 2388.296       177.9637 2553.920       248.4545 2213.788       255.0315 293.5481 14.47634 272.9221 16.00349 20.62598       21.57953 
1 1 1 -20 12 8  o 418.5399 10.56445 5163.445       259.1116 5183.254       398.3430 5148.917       341.1478 417.8656 16.28555 417.1482 13.96414 0.7174072      21.45265 
1 1 1 -20 12 9  o 221.5412 11.04827 1450.183       143.0957 1594.843       185.5975 1238.150       224.6982 231.8970 13.70781 203.0731 19.09065 28.82394       23.50228 
1 1 1 -20 12 10 o 120.0044 17.29302 436.2290       118.1996 570.3286       143.3215 151.0621       209.0005 137.3140 18.24829 82.06770 31.28943 55.24632       36.22194 
1 1 1 -20 12 11 o 72.81177 21.62653 161.1269       99.06258 181.9794       114.9137 100.7944       195.4648 77.42670 23.36207 75.14363 29.79735 2.283066       37.86382 
1 1 1 -20 12 12 o 217.1119 9.992801 1391.619       126.8981 1445.280       162.1025 1306.686       203.9375 220.8410 12.56770 209.0748 16.77261 11.76619       20.95871 
1 1 1 -20 12 13 o 211.5226 11.07182 1323.264       136.8710 1488.475       187.3141 1134.000       200.4864 223.7503 14.35000 194.4076 17.78080 29.34267       22.84906 
1 1 1 -20 12 14 o 230.0430 9.821134 1562.000       132.1967 1525.108       170.6142 1617.422       209.1153 226.7710 12.88151 233.0070 15.38880 -6.235992      20.06860 
1 1 1 -20 12 15 o 198.4389 10.70683 1164.673       124.1443 1168.866       156.4456 1157.544       204.0067 198.2930 13.53370 196.3310 17.91477 1.961975       22.45217 
1 1 1 -20 12 16 o 331.5855 11.54400 3249.784       224.1504 3212.352       284.7682 3310.748       363.4183 328.8328 14.80407 332.5703 18.70800 -3.737488      23.85685 
1 1 1 -20 12 17 o 227.6844 12.05506 1535.542       160.3994 1551.457       193.1753 1500.209       287.8303 228.3573 14.49888 222.3451 22.37684 6.012222       26.66347 
1 1 1 -20 12 18 o 180.7489 12.20750 969.5280       128.6465 860.7879       163.5526 1145.971       208.3363 169.3591 16.68276 195.1968 18.41644 -25.83774      24.84914 
1 1 1 -20 12 19 o 207.3174 11.95032 1273.563       144.6843 1542.643       193.3312 931.0076       218.1361 227.6971 14.55370 174.8648 21.73833 52.83223       26.16037 
1 1 1 -20 12 20 o 285.2206 10.60085 2402.460       177.0173 2112.447       245.5657 2716.177       255.4046 266.2579 15.79687 302.4060 14.44258 -36.14810      21.40395 
1 1 1 -20 12 21 o 106.4609 20.63943 350.7116       124.2134 411.2086       156.0119 245.9611       205.2906 114.6925 23.96723 92.17419 31.55464 22.51831       39.62478 
1 1 1 -20 12 22 o 48.61432 20.97018 -7.621313      108.8428 36.51694       132.5226 -99.10916      190.7937 58.31754 24.01885 57.48227 26.08746 0.8352661      35.46070 
1 1 1 -20 12 23 o 176.2995 12.13704 923.7657       124.7257 884.4942       160.5946 983.4609       197.9985 171.6071 16.14651 180.2423 19.01705 -8.635223      24.94711 
1 1 1 -20 12 24 o 52.21796 21.73688 22.35366       110.1438 -12.77106      137.1142 86.25260       184.9366 53.94477 23.40274 71.65291 28.79215 -17.70814      37.10359 
1 1 1 -20 12 25 o 177.7183 12.31156 940.6127       127.5273 1004.009       167.7093 853.7026       196.3627 182.7528 15.80253 166.9866 20.47879 15.76614       25.86699 
1 1 1 -20 12 26 o 188.8538 11.97421 1061.747       131.9413 1102.071       173.2600 1006.081       203.5695 191.4505 15.56507 181.6143 19.41299 9.836136       24.88243 
1 1 1 -20 12 27 f 180.2345 11.95896 968.1763       125.6952 956.7272       165.8435 983.6305       192.6795 178.0192 16.05720 179.6802 18.55098 -1.660965      24.53513 
1 1 1 -20 12 28 o 279.6638 9.771915 2316.002       160.0290 2105.178       220.0356 2552.736       233.1650 265.1733 14.20036 292.2991 13.63906 -27.12582      19.68944 
1 1 1 -20 12 29 o 63.87447 23.37230 106.3541       114.2249 52.51936       155.5500 169.3583       168.2765 63.08632 26.00650 78.15819 28.40342 -15.07187      38.51094 
1 1 1 -20 12 30 o 58.33938 23.76206 51.66935       127.9036 131.9855       145.2869 -225.0047      269.6555 70.79458 26.27957 61.83256 29.07048 8.962021       39.18812 
1 1 1 -20 12 31 o 64.99592 22.69578 121.9250       106.4147 84.20230       137.4821 178.3011       168.0707 63.38975 25.03622 78.36447 28.39927 -14.97472      37.85936 
1 1 1 -20 12 32 o 147.2110 12.38509 654.5748       105.9369 75.08440       512.7750 680.4111       108.2727 96.13142 43.27782 150.0977 12.41052 -53.96624      45.02211 
1 1 1 -20 12 33 o 211.8187 9.552922 1339.500       118.3674 1476.782       478.0552 1330.534       122.1716 192.6548 43.36030 210.9681 9.901850 -18.31326      44.47654 
1 1 1 -20 12 34 o 113.8829 16.54263 407.5915       107.2584 -132.4297      440.2525 441.6672       110.5907 79.79452 37.39752 118.7279 16.31318 -38.93342      40.80067 
1 1 1 -20 12 35 o 55.01677 21.25994 73.61201       97.38070 78.86991       406.2038 73.29140       100.3057 84.98380 38.36558 55.38206 21.52853 29.60174       43.99313 
1 1 1 -20 12 36 o 103.2450 17.86058 343.3606       104.2345 505.9818       415.3656 332.4314       107.6801 107.9843 43.23240 101.0530 18.86277 6.931229       47.16826 
1 1 1 -20 12 37 o 33.27693 16.19130 -158.2219      100.8944 0.000000       0.000000 -158.2219      100.8944 ?        ?        33.27693 16.19130 0.000000       16.19130 
1 1 1 -20 12 38 o 57.20773 22.03074 88.20642       104.3114 242.8606       408.2188 77.40292       107.8933 88.42409 39.29294 56.09933 22.17209 32.32475       45.11692 
1 1 1 -20 12 39 o 48.08667 20.29103 29.45121       97.99412 -317.8011      402.1603 51.37068       101.0396 66.02821 32.17138 51.37366 21.04542 14.65454       38.44355 
1 1 1 -20 12 40 o 176.9763 11.81721 964.4243       121.9509 768.1768       403.3203 984.1719       127.9396 117.8874 43.78082 178.4338 12.30108 -60.54639      45.47611 
1 1 1 -20 12 41 o 86.73464 21.65154 265.7166       109.7870 26.43055       435.6865 281.9408       113.4479 76.12312 36.13538 89.27295 21.84876 -13.14983      42.22717 
1 1 1 -20 12 42 o 62.80167 23.31475 129.3865       114.3591 -168.7499      460.6102 148.9713       118.0556 70.78608 34.47627 65.89999 23.81261 4.886086       41.90052 
1 1 1 -20 12 43 o 150.0405 14.21371 717.3375       123.5825 515.2919       403.9246 738.2039       129.8073 94.60523 40.59762 151.7464 14.77257 -57.14121      43.20180 
1 1 1 -20 12 44 o 49.24761 21.81772 9.442141       124.9106 -433.8594      423.8524 51.60460       130.7158 61.22918 30.42892 54.11070 23.15494 7.118477       38.23703 
1 1 1 -20 13 1  o 321.2410 12.39678 3048.536       233.1173 2964.659       288.5463 3206.174       395.5728 316.1011 15.61295 327.3328 20.71186 -11.23169      25.93734 
1 1 1 -20 13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 3  o 611.9387 15.63651 11093.13       560.7153 10290.07       730.3495 12245.97       875.0692 586.8384 21.25591 639.0115 23.38927 -52.17310      31.60493 
1 1 1 -20 13 4  o 332.4002 10.49385 3257.334       204.3159 2811.090       274.6706 3810.126       305.7077 307.8321 15.26174 358.6680 14.56355 -50.83591      21.09545 
1 1 1 -20 13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 13 6  o 322.8119 10.31822 3072.243       195.0952 3199.745       276.9424 2946.631       274.8816 328.6215 14.40453 315.2129 14.91160 13.40863       20.73274 
1 1 1 -20 13 7  o 33.34317 16.17318 -165.5393      98.60021 -167.1335      115.8971 -161.3617      187.6099 37.63858 18.07534 53.28612 24.78758 -15.64753      30.67804 
1 1 1 -20 13 8  o 383.7324 10.25388 4340.757       230.5568 4421.021       350.2527 4279.387       306.2690 385.9698 15.50466 380.2095 13.75771 5.760376       20.72846 
1 1 1 -20 13 9  o 334.4814 10.21071 3299.067       200.0643 3369.897       292.0085 3236.406       274.6555 337.0273 14.80954 330.4254 14.20627 6.601837       20.52171 
1 1 1 -20 13 10 o 57.33860 21.12766 78.69808       93.59943 103.0681       108.6244 8.430186       184.4496 63.50771 22.85557 64.77621 27.60607 -1.268509      35.83953 
1 1 1 -20 13 11 o 218.8808 10.78381 1415.947       138.0040 1454.833       181.3817 1362.490       212.6638 221.2773 14.04929 213.4224 17.13423 7.854904       22.15771 
1 1 1 -20 13 12 o 238.8237 10.56099 1684.749       147.5561 1789.882       200.8798 1561.548       217.4563 245.5138 14.00929 228.7428 16.31681 16.77094       21.50578 
1 1 1 -20 13 13 o 186.1809 11.02697 1026.097       119.8650 1025.604       148.5054 1027.016       203.0384 185.6576 13.73618 184.5732 19.02924 1.084320       23.46901 
1 1 1 -20 13 14 o 132.9971 15.65751 531.9995       119.7906 472.3736       129.8680 872.0826       310.1543 124.6224 18.31461 165.4039 33.12879 -40.78144      37.85422 
1 1 1 -20 13 15 o 530.9592 15.92929 8380.336       495.4693 8466.855       739.7375 8309.940       667.2538 529.2527 23.89381 525.6990 21.68888 3.553711       32.26952 
1 1 1 -20 13 16 o 362.5422 11.93160 3886.081       253.3471 4295.096       342.4531 3391.584       376.5418 380.1445 15.39221 336.4634 19.16125 43.68106       24.57791 
1 1 1 -20 13 17 o 573.2776 11.01979 9696.298       370.5003 9739.932       530.0849 9654.622       518.0554 572.5164 15.80238 570.1405 15.50770 2.375916       22.14055 
1 1 1 -20 13 18 o 264.7008 11.12796 2071.018       172.3659 2115.823       202.8970 1954.833       326.7290 267.1735 12.98778 254.1829 22.13813 12.99063       25.66669 
1 1 1 -20 13 19 o 298.5224 10.33508 2630.456       180.6698 2187.724       242.0696 3187.220       271.4601 271.1238 15.28568 327.7249 14.15701 -56.60110      20.83442 
1 1 1 -20 13 20 o 78.69540 22.94220 190.4735       112.3609 141.9860       138.1339 285.2924       193.1670 72.79718 25.82135 96.54039 30.49506 -23.74321      39.95861 
1 1 1 -20 13 21 o 277.1446 10.12191 2267.961       164.2439 2278.790       224.5895 2255.512       240.8099 276.9731 13.87029 275.2599 14.97336 1.713165       20.41044 
1 1 1 -20 13 22 o 254.8300 10.17273 1918.852       151.7277 1953.292       205.6016 1877.666       224.8370 256.3156 13.72739 250.8571 15.35595 5.458435       20.59725 
1 1 1 -20 13 23 o 139.4215 14.63303 583.7917       117.8695 539.6577       149.0918 657.3556       192.4859 132.6922 19.76020 145.6061 23.32811 -12.91393      30.57231 
1 1 1 -20 13 24 o 166.4722 13.20683 827.4072       127.8849 706.2133       166.5811 1001.354       199.5692 152.1896 19.08169 181.6198 19.01777 -29.43016      26.94043 
1 1 1 -20 13 25 o 206.2884 11.19365 1263.427       134.9171 1078.652       174.4109 1538.742       212.8954 189.3564 15.85049 226.2842 16.14825 -36.92780      22.62750 
1 1 1 -20 13 26 o 201.3595 11.26380 1204.981       132.4870 1119.423       174.5289 1321.331       203.5255 192.8836 15.56039 209.2603 16.72275 -16.37674      22.84242 
1 1 1 -20 13 27 o 231.6421 12.00478 1597.462       162.5317 1772.244       205.6814 1306.863       265.2127 243.2017 14.48605 205.5995 22.35434 37.60217       26.63761 
1 1 1 -20 13 28 o 197.3089 11.58392 1159.840       133.4560 1081.762       185.8717 1242.921       191.7356 188.8284 16.96463 202.7679 16.25944 -13.93941      23.49825 
1 1 1 -20 13 29 o 171.2019 12.65980 878.4603       126.2125 682.9487       173.0901 1100.434       184.4322 148.1797 20.46307 190.2855 16.69549 -42.10574      26.40978 
1 1 1 -20 13 30 o 81.20597 27.40200 203.6792       154.7480 651.2382       501.5644 156.5934       162.6847 132.2631 48.87731 75.46953 27.84605 56.79361       56.25295 
1 1 1 -20 13 31 o 288.2937 8.474271 2463.832       143.1253 2173.455       517.0584 2487.927       148.9453 248.7565 36.52916 289.5864 8.780108 -40.82994      37.56953 
1 1 1 -20 13 32 o 233.0562 9.440811 1618.567       128.7718 1663.354       493.0623 1615.289       133.4017 208.6958 41.74361 232.6769 9.797843 -23.98114      42.87804 
1 1 1 -20 13 33 o 155.4445 11.81015 730.8228       106.8609 276.1996       423.7935 761.6910       110.4292 98.27802 41.86307 158.6508 11.95636 -60.37280      43.53701 
1 1 1 -20 13 34 o 65.45838 22.35416 133.4803       103.0155 -42.06587      443.5873 143.4876       105.9111 82.85970 38.39673 67.35001 22.66929 15.50969       44.58930 
1 1 1 -20 13 35 o 48.17076 19.99492 31.27753       92.81870 -46.87684      436.1456 34.98511       94.99480 81.15344 37.76542 49.07151 20.28545 32.08193       42.86871 
1 1 1 -20 13 36 o 86.26557 24.96356 259.8850       133.4783 743.6199       472.9101 218.0129       139.1353 121.3913 46.86614 79.44625 25.95761 41.94502       53.57455 
1 1 1 -20 13 37 o 146.8618 12.54597 663.7076       107.0258 237.6618       440.0634 690.4920       110.3387 89.81622 40.29139 149.7372 12.68378 -59.92102      42.24068 
1 1 1 -20 13 38 o 43.30674 19.30437 -17.00666      99.32155 -31.28039      387.4351 -16.00262      102.7554 74.82516 35.07302 44.11949 19.65295 30.70567       40.20392 
1 1 1 -20 13 39 o 53.36356 21.67566 62.05846       106.0830 -89.49655      400.4259 73.49833       110.0139 72.35323 34.43048 55.38113 22.22300 16.97209       40.97951 
1 1 1 -20 13 40 o 138.5441 14.35544 606.9538       114.9538 -4.702906      414.2742 657.9779       119.6525 74.95399 35.47921 144.3159 14.32591 -69.36189      38.26233 
1 1 1 -20 13 41 o 218.7134 10.36659 1459.680       132.5940 841.1328       458.3114 1516.182       138.5176 114.8505 45.59999 222.6861 10.63700 -107.8356      46.82420 
1 1 1 -20 13 42 o 38.68391 18.23760 -84.55963      107.4487 -173.4598      427.0311 -78.55079      111.0207 68.48705 33.32028 39.84988 18.70941 28.63717       38.21365 
1 1 1 -20 13 43 o 81.26094 23.34930 244.4689       117.1616 -32.90023      399.7043 270.5404       122.5444 70.45864 33.76566 85.29044 23.66678 -14.83180      41.23392 
1 1 1 -20 13 44 o 102.6703 22.70679 384.3625       133.0941 204.7185       408.2888 405.7217       140.7842 78.22669 36.44909 104.8465 23.48039 -26.61986      43.35740 
1 1 1 -20 14 1  o 364.8413 12.19608 3931.567       260.5937 3843.519       326.9685 4084.885       431.4609 359.9243 15.52626 369.6837 19.97453 -9.759430      25.29914 
1 1 1 -20 14 2  o 598.5579 24.72826 10789.55       866.1914 0.000000       0.000000 10789.55       866.1914 ?        ?        598.5579 24.72826 0.000000       24.72826 
1 1 1 -20 14 3  o 430.7660 12.67691 5482.597       319.9136 5297.710       417.5578 5745.369       497.7982 422.1989 16.89769 438.7850 19.39211 -16.58612      25.72131 
1 1 1 -20 14 4  f 202.7983 12.91019 1219.339       152.7519 1097.523       176.7135 1579.380       303.8038 191.8097 15.85037 228.4561 22.98674 -36.64645      27.92176 
1 1 1 -20 14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 14 6  o 59.37035 21.47983 88.39344       96.09576 94.66347       109.7533 67.79878       198.9118 62.38156 22.89652 72.44218 29.58501 -10.06062      37.41021 
1 1 1 -20 14 7  o 175.2844 12.14027 911.1932       124.0311 903.3384       156.2416 924.5781       203.9568 173.9146 15.47988 174.8561 20.26341 -0.9415283     25.49966 
1 1 1 -20 14 8  o 138.0551 13.29401 568.4907       106.3071 448.8446       126.0710 862.9026       197.7624 121.5110 18.25462 168.7888 20.39065 -47.27776      27.36804 
1 1 1 -20 14 9  o 209.4715 10.51928 1296.547       128.8159 1269.271       161.4079 1344.396       213.7824 206.7632 13.38259 211.9518 17.34995 -5.188675      21.91152 
1 1 1 -20 14 10 o 125.3135 15.14696 472.0361       109.0641 478.4002       133.5653 459.3020       188.9341 125.3795 18.73821 120.7695 27.31654 4.609955       33.12573 
1 1 1 -20 14 11 o 532.0464 11.79437 8357.020       368.0229 8459.341       597.8176 8294.578       467.0042 532.0267 19.19096 528.7217 15.07602 3.304993       24.40450 
1 1 1 -20 14 12 o 377.3571 10.20181 4200.234       225.5701 4433.881       346.9511 4029.162       296.8784 386.3063 15.34443 368.7032 13.75349 17.60312       20.60607 
1 1 1 -20 14 13 o 410.2890 11.95896 4975.739       287.4550 4671.399       370.8183 5434.007       455.0307 396.2919 15.98777 426.5735 18.23052 -30.28152      24.24790 
1 1 1 -20 14 14 o 160.6554 12.12868 766.7000       113.4331 710.8440       140.0398 873.2678       193.4328 153.9680 15.72929 169.8228 19.79209 -15.85480      25.28116 
1 1 1 -20 14 15 o 239.0812 10.73813 1689.218       150.1809 1687.053       177.1089 1694.757       283.3265 238.5597 12.70462 237.0537 20.58315 1.505997       24.18829 
1 1 1 -20 14 16 o 378.0351 9.670785 4213.113       214.2336 4346.361       303.2242 4080.307       302.7205 383.0034 13.52049 370.9604 13.93917 12.04303       19.41917 
1 1 1 -20 14 17 o 383.1000 9.730471 4326.951       218.4464 4280.290       299.0660 4380.319       319.8388 380.1038 13.43687 384.2925 14.21569 -4.188721      19.56107 
1 1 1 -20 14 18 o 436.5238 16.57657 5673.049       423.6072 6575.374       742.5448 5237.709       515.7695 464.0988 27.40306 417.4496 21.13570 46.64923       34.60701 
1 1 1 -20 14 19 o 128.2501 16.81484 497.3507       123.4306 562.6478       150.1871 361.4675       216.6549 135.9139 19.39077 107.2420 32.01450 28.67185       37.42900 
1 1 1 -20 14 20 o 421.1054 10.02876 5228.373       247.6785 5056.613       353.2356 5394.483       347.3785 412.6229 14.62000 426.4561 13.90783 -13.83316      20.17851 
1 1 1 -20 14 21 o 240.9754 10.38643 1716.556       146.4431 1580.026       192.2449 1905.305       226.0384 230.3378 14.30167 252.7451 15.32123 -22.40729      20.95896 
1 1 1 -20 14 22 o 84.00997 22.84078 220.7409       115.4721 215.4097       146.3383 229.5374       187.9751 84.10732 26.53924 88.57629 30.19770 -4.468971      40.20239 
1 1 1 -20 14 23 o 264.5552 10.10973 2069.401       156.5692 2012.315       212.6945 2136.923       231.3211 259.8918 14.00621 267.5981 14.79707 -7.706299      20.37467 
1 1 1 -20 14 24 o 217.7285 11.10857 1406.427       141.3794 1513.500       189.1299 1270.816       212.8460 225.0138 14.40749 205.0284 17.87980 19.98537       22.96221 
1 1 1 -20 14 25 o 196.6232 11.94812 1150.726       137.1292 987.9250       179.8300 1376.920       211.9693 180.6676 17.17839 213.5801 17.06421 -32.91249      24.21331 
1 1 1 -20 14 26 o 170.4333 13.05109 869.0475       129.4599 934.3769       174.5533 789.1792       193.0016 175.5234 17.17636 159.8067 21.10848 15.71663       27.21388 
1 1 1 -20 14 27 o 222.5189 12.47602 1476.991       162.1626 1528.269       199.2354 1376.347       279.1234 225.4632 15.15551 210.5714 22.97420 14.89174       27.52278 
1 1 1 -20 14 28 o 141.8206 15.14697 609.6783       124.0359 484.8112       164.1195 775.9999       189.4134 123.4362 23.52949 158.0470 20.95048 -34.61087      31.50491 
1 1 1 -20 14 29 o 163.9399 12.17009 805.4112       116.1771 52.93118       543.1010 841.4954       118.9301 101.1284 45.10603 167.5868 12.18366 -66.45839      46.72253 
1 1 1 -20 14 30 o 74.26910 22.47484 175.0302       106.2412 287.4207       484.3224 169.3487       108.8934 107.1662 45.15924 73.32997 22.85854 33.83625       50.61491 
1 1 1 -20 14 31 o 151.5126 11.92374 691.7491       105.0994 1060.341       483.5989 673.4771       107.6729 159.7634 47.86285 149.3212 12.40715 10.44218       49.44481 
1 1 1 -20 14 32 o 161.3496 12.00843 786.8250       112.8182 -129.1056      454.9714 846.8336       116.4553 82.27379 38.38192 167.4483 11.93673 -85.17455      40.19524 
1 1 1 -20 14 33 o 57.90774 21.55340 90.22871       97.85201 -688.8748      425.5928 133.7131       100.5457 62.81810 31.09095 65.49485 22.08774 -2.676750      38.13811 
1 1 1 -20 14 34 o 58.72858 22.19823 91.81097       104.6427 226.7563       445.0867 83.91545       107.6605 94.15427 41.47113 57.93605 22.36303 36.21821       47.11645 
1 1 1 -20 14 35 o 88.65012 19.80502 259.6040       100.3694 69.74887       456.7206 269.2383       102.8845 86.22219 39.59634 90.24078 19.96904 -4.018593      44.34673 
1 1 1 -20 14 36 f 46.30339 19.90635 11.73719       97.44822 -413.6497      426.9451 35.11606       100.0902 67.13991 32.80769 49.62403 20.69414 17.51588       38.78907 
1 1 1 -20 14 37 o 75.68803 22.43974 197.2468       106.7309 102.0048       408.9512 204.2083       110.5627 82.07738 37.60947 76.83100 22.85407 5.246376       44.00887 
1 1 1 -20 14 38 f 68.40707 22.30474 158.8673       102.7571 -478.0058      422.2878 198.9509       105.9414 63.67185 31.41271 75.65753 22.33765 -11.98568      38.54515 
1 1 1 -20 14 39 f 128.5356 15.96794 530.4408       117.7837 249.1416       425.5950 553.7728       122.5711 86.12728 39.03794 131.1407 16.28663 -45.01340      42.29911 
1 1 1 -20 14 40 o 173.1742 11.82222 925.9302       119.3494 1031.184       423.8633 916.8666       124.3820 134.7819 45.35021 171.8751 12.42324 -37.09314      47.02104 
1 1 1 -20 14 41 o 49.73638 21.28382 31.53217       110.4503 238.8394       434.4312 17.20610       114.2030 83.21480 38.36136 48.80964 21.26449 34.40516       43.86083 
1 1 1 -20 14 42 f 59.70526 23.18713 109.1364       116.2713 -69.04551      409.9633 124.7225       121.2500 70.17043 33.77457 62.18119 23.80156 7.989246       41.31871 
1 1 1 -20 14 43 o 42.88142 19.95550 -62.95057      121.7847 -378.9760      420.3820 -33.99790      127.2411 62.34693 30.86532 46.01021 21.04357 16.33672       37.35639 
1 1 1 -20 15 1  o 283.1398 12.37006 2371.123       204.9151 2574.387       254.5003 1996.449       345.5281 294.5202 14.78131 256.9313 23.17963 37.58887       27.49150 
1 1 1 -20 15 2  o 989.8138 19.25215 29201.52       1117.592 28235.68       1853.276 29753.46       1400.993 957.8794 33.03918 994.6628 24.01649 -36.78339      40.84580 
1 1 1 -20 15 3  f 703.0792 26.60639 14972.65       1095.106 0.000000       0.000000 14972.65       1095.106 ?        ?        703.0792 26.60639 0.000000       26.60639 
1 1 1 -20 15 4  o 429.6611 12.48550 5455.935       314.2834 5269.503       407.9592 5728.113       492.9275 421.0068 16.55482 437.9357 19.23903 -16.92886      25.38115 
1 1 1 -20 15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 15 6  o 247.9818 10.27162 1815.114       149.0623 1886.803       195.2487 1714.947       230.7935 252.3019 13.24159 239.7808 16.51272 12.52106       21.16623 
1 1 1 -20 15 7  o 313.7467 10.10322 2903.289       185.6619 3066.916       267.3012 2750.765       258.0732 321.5810 14.20802 304.4514 14.49518 17.12961       20.29724 
1 1 1 -20 15 8  o 257.7517 10.41376 1961.314       157.0958 2234.119       215.8167 1653.859       229.1129 274.5266 13.44538 235.3657 16.70660 39.16096       21.44502 
1 1 1 -20 15 9  o 132.0730 13.27223 520.9093       101.4114 511.6992       121.2451 542.3577       185.0256 130.3096 16.21466 132.0680 24.79867 -1.758316      29.62919 
1 1 1 -20 15 10 o 194.8603 10.71598 1123.052       121.9917 1149.022       153.9022 1079.152       200.0956 196.6336 13.42610 189.4622 18.23283 7.171371       22.64280 
1 1 1 -20 15 11 o 302.0038 10.09871 2690.992       178.6148 2735.032       250.9624 2645.784       254.2689 303.5825 14.13433 298.4664 14.57007 5.116089       20.29941 
1 1 1 -20 15 12 o 339.8465 10.05299 3406.839       200.1479 3558.520       298.9297 3283.588       269.4621 346.1701 14.75797 332.7585 13.83779 13.41165       20.23072 
1 1 1 -20 15 13 o 448.1152 10.83229 5923.110       284.6823 6159.645       457.1257 5773.252       363.8538 454.6561 17.17448 441.3043 14.07648 13.35181       22.20608 
1 1 1 -20 15 14 o 702.2042 14.26242 14606.96       587.3637 14973.81       1005.822 14417.12       723.5508 703.7578 24.40648 695.4825 17.75364 8.275269       30.18059 
1 1 1 -20 15 15 o 369.0063 10.22223 4016.816       221.0097 3601.541       318.9134 4400.548       306.5621 347.9847 15.66669 385.3756 13.58512 -37.39096      20.73646 
1 1 1 -20 15 16 f 252.7530 15.06783 1901.097       222.3421 1128.833       523.0522 2071.420       245.6403 182.5243 48.16880 263.6397 15.96164 -81.11540      50.74453 
1 1 1 -20 15 17 o 319.5103 11.80432 3018.632       220.8153 2847.928       269.5840 3366.657       384.9262 309.5680 14.89235 335.0366 19.67664 -25.46857      24.67696 
1 1 1 -20 15 18 o 88.71436 23.86929 245.7037       126.8954 277.3281       144.7612 140.7802       263.6802 94.09455 25.57038 86.76241 34.54225 7.332146       42.97688 
1 1 1 -20 15 19 o 370.6396 9.774353 4051.879       212.2810 4132.559       297.9606 3968.715       302.5126 373.2937 13.63288 365.6555 14.13316 7.638153       19.63675 
1 1 1 -20 15 20 o 42.57146 19.39607 -64.46103      106.7618 -71.35741      130.1470 -50.27272      186.6761 47.45858 21.54139 60.15832 26.66060 -12.69974      34.27563 
1 1 1 -20 15 21 o 177.9153 12.14592 940.8704       125.9743 1113.014       161.9350 677.0118       200.4845 193.0776 14.40453 147.6689 23.97070 45.40868       27.96578 
1 1 1 -20 15 22 o 194.5260 11.84407 1123.920       134.4827 1264.238       177.7240 935.9440       205.7035 205.6367 14.83626 175.1827 20.40307 30.45399       25.22697 
1 1 1 -20 15 23 o 138.6918 17.34962 584.7202       138.0421 672.9368       159.9457 327.1715       273.2921 148.5048 18.78413 104.1069 36.36996 44.39794       40.93431 
1 1 1 -20 15 24 o 354.4610 9.781375 3714.798       203.1438 3547.094       287.0189 3883.134       287.5592 344.7851 14.22477 361.0354 13.60519 -16.25027      19.68363 
1 1 1 -20 15 25 o 129.3103 16.11343 508.1981       119.5561 511.6233       153.8190 502.9712       190.0161 128.1809 21.20202 125.1660 26.70002 3.014854       34.09423 
1 1 1 -20 15 26 o 150.9278 27.18668 729.4685       231.7949 320.5666       519.9793 830.8757       258.9471 115.7480 47.61495 160.6739 28.52469 -44.92588      55.50533 
1 1 1 -20 15 27 o 229.5738 12.04226 1571.251       161.5696 1714.054       203.9803 1330.797       264.6895 238.8918 14.62932 207.1820 22.12590 31.70979       26.52494 
1 1 1 -20 15 28 o 118.5390 15.97448 430.2687       108.2309 868.5688       574.2170 414.1240       110.2062 149.1758 52.67114 116.0418 16.67154 33.13393       55.24662 
1 1 1 -20 15 29 o 201.9630 10.12891 1213.938       119.5905 2342.197       554.1570 1158.825       122.4765 260.0356 37.41247 197.1661 10.63113 62.86949       38.89362 
1 1 1 -20 15 30 o 225.6133 9.701679 1515.517       128.0696 1052.755       536.8301 1543.444       131.8774 157.1707 50.96193 227.6145 9.902856 -70.44382      51.91517 
1 1 1 -20 15 31 o 111.9828 15.80566 389.5148       100.9210 415.2949       484.5224 388.3456       103.1841 110.2231 45.71166 111.6457 16.23398 -1.422600      48.50874 
1 1 1 -20 15 32 o 38.70256 18.03543 -79.33084      100.0153 -706.9730      447.8080 -46.37868      102.6072 64.76382 32.02460 42.09782 19.11556 22.66600       37.29584 
1 1 1 -20 15 33 o 137.8093 16.29744 594.0464       129.1731 0.000000       0.000000 594.0464       129.1731 ?        ?        137.8093 16.29744 0.000000       16.29744 
1 1 1 -20 15 34 o 172.9947 10.82719 903.6284       109.2989 389.0712       478.9850 931.8932       112.2607 102.6670 44.13538 175.6301 10.95331 -72.96315      45.47425 
1 1 1 -20 15 35 o 54.94863 21.75678 69.22487       104.0631 286.3235       450.3073 56.97678       106.9583 94.66418 41.70398 53.71968 21.78523 40.94450       47.05124 
1 1 1 -20 15 36 o 72.63804 22.40129 179.6001       104.8994 -238.5787      434.4602 205.4879       108.0976 71.95927 34.66933 77.30067 22.49335 -5.341393      41.32692 
1 1 1 -20 15 37 o 95.43663 20.16204 306.6887       109.3082 -54.94337      415.8346 333.5314       113.2924 75.78942 35.77577 99.68468 20.07368 -23.89526      41.02266 
1 1 1 -20 15 38 o 55.19700 21.73690 77.80037       103.3641 582.5434       414.2369 44.28590       106.7406 105.5776 42.85162 51.26065 21.37315 54.31691       47.88604 
1 1 1 -20 15 39 o 57.34412 22.43453 90.39793       109.4881 -247.2541      422.3822 114.7200       113.3628 68.11945 33.14075 61.15672 23.10719 6.962723       40.40113 
1 1 1 -20 15 40 o 184.4418 11.73596 1050.099       126.2903 484.4073       419.9990 1106.331       132.4185 95.45044 41.18342 189.1181 12.00081 -93.66771      42.89631 
1 1 1 -20 15 41 o 146.8161 14.66734 688.1891       124.6033 304.5907       409.9060 727.2439       130.7926 84.97195 38.43296 150.6785 14.99968 -65.70654      41.25631 
1 1 1 -20 15 42 o 63.11864 23.87920 132.1138       121.1547 45.19636       435.8713 139.3914       126.1249 74.58614 35.61231 64.36523 24.36108 10.22092       43.14741 
1 1 1 -20 15 43 o 54.37225 23.08886 57.63996       128.2219 230.1163       434.8836 41.21877       134.1871 80.03861 37.40034 53.44495 23.16891 26.59366       43.99528 
1 1 1 -20 16 1  o 346.7523 12.12910 3553.845       246.2801 3449.020       303.9639 3754.160       420.1910 340.8135 15.24599 353.9159 20.32953 -13.10239      25.41121 
1 1 1 -20 16 2  o 668.1176 17.57355 13284.57       687.9957 0.000000       0.000000 13284.57       687.9957 ?        ?        668.1176 17.57355 0.000000       17.57355 
1 1 1 -20 16 3  o 228.8977 12.25690 1551.424       163.9405 1355.571       188.4840 2159.979       332.2458 213.3518 15.16236 267.8001 21.33042 -54.44838      26.17029 
1 1 1 -20 16 4  o 201.3456 12.72430 1202.435       149.4856 1036.918       169.3253 1787.188       318.2638 186.3521 15.63714 243.0247 22.58846 -56.67255      27.47287 
1 1 1 -20 16 5  o 236.0692 33.42918 1748.240       449.8917 0.000000       0.000000 1748.240       449.8917 ?        ?        236.0692 33.42918 0.000000       33.42918 
1 1 1 -20 16 6  o 224.7369 10.52374 1492.101       138.3207 1518.963       173.1259 1444.689       230.0039 226.2986 13.10057 219.5587 18.02061 6.739838       22.27930 
1 1 1 -20 16 7  o 271.7636 10.23787 2179.781       162.8824 2270.345       221.0246 2072.139       240.9660 276.6709 13.66383 263.8171 15.64432 12.85382       20.77125 
1 1 1 -20 16 8  o 161.1656 12.42510 771.8605       116.5357 786.6135       142.6900 742.3092       201.9492 162.1882 15.17741 155.6221 22.80328 6.566071       27.39240 
1 1 1 -20 16 9  o 298.4569 9.932579 2627.615       173.6156 2644.409       243.7865 2610.333       247.3105 298.5522 13.96186 296.5436 14.26194 2.008636       19.95837 
1 1 1 -20 16 10 o 243.2852 10.08202 1747.322       143.5397 1825.051       190.8513 1646.094       217.7989 248.0687 13.16530 234.9397 15.90065 13.12907       20.64354 
1 1 1 -20 16 11 o 269.4035 10.09948 2142.055       159.2880 2308.251       219.4601 1957.025       231.5612 278.9916 13.45227 256.3614 15.47352 22.63019       20.50350 
1 1 1 -20 16 12 o 375.1682 10.35997 4152.574       227.7294 4336.401       342.5080 4006.917       304.8819 382.0249 15.31828 367.5517 14.17023 14.47318       20.86732 
1 1 1 -20 16 13 o 187.9725 11.52302 1046.814       126.4210 1043.953       157.7350 1051.952       211.3974 187.1630 14.48262 186.6568 19.60323 0.5062408      24.37279 
1 1 1 -20 16 14 o 407.4418 13.11013 4914.633       312.8654 5182.062       395.5839 4467.937       511.2583 417.3601 16.19205 384.7872 22.75690 32.57294       27.92953 
1 1 1 -20 16 15 o 246.7624 11.16230 1800.284       161.1229 1595.806       207.8658 2108.057       255.0211 231.4207 15.40315 265.8466 16.43704 -34.42598      22.52628 
1 1 1 -20 16 16 o 330.3774 11.86945 3227.528       229.6069 2875.356       281.3911 3929.157       397.1798 310.8886 15.48188 362.3831 18.75204 -51.49451      24.31722 
1 1 1 -20 16 17 o 206.6388 12.63321 1267.074       152.3686 1236.505       179.2003 1346.845       289.4832 203.6024 15.11521 209.9811 23.93352 -6.378769      28.30694 
1 1 1 -20 16 18 o 184.8931 11.64358 1013.701       125.6165 1077.089       157.1912 901.6884       208.9584 190.1067 14.20136 172.0922 21.14785 18.01447       25.47371 
1 1 1 -20 16 19 o 490.2614 10.30844 7091.074       296.3953 7092.414       426.2486 7089.820       412.4256 488.4843 14.89600 488.6060 14.40824 -0.1217651     20.72410 
1 1 1 -20 16 20 o 58.86370 22.27493 77.60775       105.4376 22.97045       125.2547 210.4718       195.3229 55.34607 23.12032 86.78120 30.71210 -31.43513      38.44193 
1 1 1 -20 16 21 o 51.04971 21.61287 9.506463       111.7842 145.3189       136.7412 -264.1068      194.0878 72.82730 25.70400 48.83735 23.43707 23.98995       34.78494 
1 1 1 -20 16 22 o 264.7338 11.68035 2079.220       180.9028 2010.142       214.6886 2248.363       335.9415 259.5853 14.15549 271.7712 21.24578 -12.18594      25.52961 
1 1 1 -20 16 23 f 167.5641 12.97196 838.8855       126.4865 868.5627       165.2455 796.8945       196.5603 169.4655 16.84934 160.7688 21.37623 8.696762       27.21844 
1 1 1 -20 16 24 o 135.4797 15.32777 555.2538       119.6511 609.6364       157.2922 480.5677       184.3306 140.7507 19.58463 122.4177 26.44823 18.33300       32.90998 
1 1 1 -20 16 25 o 51.23098 21.63013 14.08025       111.4580 14.11336       141.9008 14.02692       180.0883 57.09477 24.26879 63.52789 27.18137 -6.433125      36.43900 
1 1 1 -20 16 26 o 121.6884 32.50824 494.1163       236.4055 -254.1138      561.7813 655.1292       260.6033 92.67246 43.03564 140.3160 32.33273 -47.64352      53.82817 
1 1 1 -20 16 27 o 136.7747 14.65765 566.7813       115.7448 42.00329       550.2934 591.0720       118.3933 102.0469 45.46692 139.7016 14.66879 -37.65472      47.77462 
1 1 1 -20 16 28 o 41.73858 19.42398 -94.50035      115.3907 -429.5252      506.1982 -76.13697      118.5109 80.57927 38.44734 43.85707 20.15155 36.72220       43.40833 
1 1 1 -20 16 29 o 183.4731 10.89888 1006.393       116.7464 -39.70171      538.1697 1058.053       119.5943 94.72134 43.30556 188.1430 10.88505 -93.42165      44.65261 
1 1 1 -20 16 30 o 42.25290 19.73193 -99.33604      120.7495 -565.1049      497.3490 -70.16151      124.4738 73.74641 35.89714 45.22748 20.73346 28.51893       41.45457 
1 1 1 -20 16 31 o 43.11646 19.10513 -20.27547      95.82607 866.3507       493.5501 -55.00777      97.68497 138.7113 48.84405 40.21830 18.41099 98.49295       52.19871 
1 1 1 -20 16 32 o 122.1885 15.21202 463.8657       106.6563 274.5751       484.5933 473.5021       109.3374 99.35815 43.53325 123.3608 15.45061 -24.00263      46.19378 
1 1 1 -20 16 33 o 79.00648 21.52841 208.1695       102.4498 734.7125       477.1882 182.7263       104.8959 124.6629 47.33837 74.17989 22.30685 50.48297       52.33084 
1 1 1 -20 16 34 f 243.5486 9.172011 1776.030       130.7747 1130.944       471.4390 1829.806       136.1165 153.4609 47.51775 247.0792 9.410630 -93.61829      48.44065 
1 1 1 -20 16 35 o 60.37792 22.60576 104.8225       107.9575 -109.4297      418.6315 120.0860       111.7368 75.54343 35.73056 63.03391 23.10800 12.50953       42.55176 
1 1 1 -20 16 36 o 164.0214 11.97548 824.3057       114.4039 290.0793       436.4081 863.7280       118.5499 91.65984 40.68472 167.8250 12.12642 -76.16517      42.45347 
1 1 1 -20 16 37 f 40.63195 18.71304 -54.26464      103.0253 -137.3530      421.6719 -48.98979      106.2453 72.83250 34.84362 41.76848 19.15055 31.06401       39.75955 
1 1 1 -20 16 38 o 57.83877 22.30143 94.61597       106.9850 478.2418       402.8700 65.50986       110.9694 98.13758 41.26112 54.35050 22.13476 43.78708       46.82337 
1 1 1 -20 16 39 o 118.5218 17.32590 461.1475       116.8747 507.8156       401.6319 456.8300       122.1615 98.01048 41.20207 117.2096 18.37483 -19.19908      45.11369 
1 1 1 -20 16 40 o 127.6101 16.04077 527.7811       117.4036 673.3155       431.5111 516.1467       122.0062 105.5118 43.38689 125.4567 17.02061 -19.94491      46.60604 
1 1 1 -20 16 41 o 69.55836 24.43484 174.4861       123.4645 36.86571       449.2882 185.7274       128.4080 75.21130 35.97757 71.26218 24.92777 3.949127       43.76962 
1 1 1 -20 16 42 o 115.7370 20.82622 467.9892       136.1648 663.2050       456.5706 448.9309       142.6567 100.0487 43.05107 111.7801 22.53986 -11.73143      48.59465 
1 1 1 -20 17 1  o 261.3434 12.71844 2022.883       194.3524 2201.752       233.0656 1614.562       352.1372 272.2471 14.65099 229.4223 26.66773 42.82484       30.42728 
1 1 1 -20 17 2  o 398.5608 15.39338 4717.567       359.1385 0.000000       0.000000 4717.567       359.1385 ?        ?        398.5608 15.39338 0.000000       15.39338 
1 1 1 -20 17 3  o 305.2875 11.88427 2755.583       212.3742 2829.007       259.2531 2605.798       370.2864 308.7574 14.35643 294.0799 21.62064 14.67755       25.95302 
1 1 1 -20 17 4  o 143.1780 16.04707 615.8964       132.4324 628.9562       147.5478 561.7738       300.3678 144.3140 17.81057 132.0404 37.20431 12.27356       41.24776 
1 1 1 -20 17 5  o 193.5690 21.27325 1135.316       237.5261 0.000000       0.000000 1135.316       237.5261 ?        ?        193.5690 21.27325 0.000000       21.27325 
1 1 1 -20 17 6  o 172.2147 12.22439 880.3210       122.6636 891.3751       148.7756 856.8548       216.7660 172.8124 14.82236 167.4599 22.65170 5.352478       27.07031 
1 1 1 -20 17 7  o 167.3483 12.21688 831.5420       119.0776 864.3425       143.3264 758.4486       213.9564 170.2125 14.49547 156.9783 24.00115 13.23412       28.03879 
1 1 1 -20 17 8  o 172.8658 12.03813 886.7180       121.2820 900.2408       147.6098 858.6207       212.7726 173.7039 14.62528 167.7496 22.16956 5.954315       26.55915 
1 1 1 -20 17 9  o 164.3874 12.37428 802.8311       118.4238 836.6934       146.2213 738.2768       201.8901 167.3273 15.06125 155.1508 22.87296 12.17657       27.38637 
1 1 1 -20 17 10 o 53.43877 21.19714 47.46444       98.94534 -4.534691      117.4389 174.6800       183.6894 50.91266 21.86994 81.85213 29.68580 -30.93946      36.87196 
1 1 1 -20 17 11 o 105.2846 18.10450 339.2245       107.7602 387.5340       130.1010 233.6577       192.3217 112.1351 20.53951 89.89199 30.54656 22.24313       36.80984 
1 1 1 -20 17 12 o 140.9622 14.22171 594.2848       115.9664 631.8807       141.7845 518.3082       201.5572 144.8078 17.01955 128.2703 27.61114 16.53746       32.43517 
1 1 1 -20 17 13 o 410.3313 14.69954 4996.395       353.1723 0.000000       0.000000 4996.395       353.1723 ?        ?        410.3313 14.69954 0.000000       14.69954 
1 1 1 -20 17 14 o 368.4776 11.91379 4013.708       257.1227 4031.146       332.2978 3987.690       405.8994 368.2835 15.41901 365.0199 19.02625 3.263641       24.48967 
1 1 1 -20 17 15 o 512.2112 13.87284 7774.258       416.3561 7587.078       558.0528 8009.270       625.3018 503.7545 18.92250 516.6423 20.67890 -12.88779      28.02995 
1 1 1 -20 17 16 f 243.6412 11.37313 1756.170       162.0620 1881.246       218.7461 1603.985       241.2892 251.4083 14.90264 231.2883 17.92816 20.11995       23.31325 
1 1 1 -20 17 17 o 39.80693 18.57035 -97.98771      106.5014 -123.2045      119.3382 0.6729701      236.0513 41.15219 19.34498 71.85351 30.93731 -30.70132      36.48760 
1 1 1 -20 17 18 o 163.1760 13.42302 794.0582       127.3220 874.6718       149.7604 583.8671       241.8243 170.9487 15.09245 134.8865 31.19143 36.06213       34.65094 
1 1 1 -20 17 19 o 298.3158 9.873633 2628.052       172.5063 2741.786       235.9355 2497.411       252.8649 303.8570 13.27157 289.4828 14.94473 14.37418       19.98698 
1 1 1 -20 17 20 o 200.3312 11.45577 1190.718       134.0322 1163.898       172.6460 1231.403       212.6438 197.2247 15.03946 201.9982 18.14265 -4.773514      23.56568 
1 1 1 -20 17 21 o 245.6881 10.81942 1788.284       155.5149 1973.894       215.2054 1585.425       224.9829 257.1823 14.32455 229.6249 16.82304 27.55739       22.09542 
1 1 1 -20 17 22 f 119.6492 17.35954 437.7824       118.2614 290.0267       148.9386 689.8856       194.5468 95.38258 25.94350 148.8403 23.03008 -53.45773      34.69078 
1 1 1 -20 17 23 o 256.1461 10.29878 1943.797       154.3966 1994.894       215.6850 1890.094       221.1158 258.2873 14.29432 251.1145 15.08356 7.172745       20.78079 
1 1 1 -20 17 24 o 177.6779 12.34305 942.3420       127.8198 1188.988       176.8939 672.8629       184.9008 198.7969 15.28972 146.9523 22.14106 51.84464       26.90728 
1 1 1 -20 17 25 o 217.2697 9.776072 1399.246       124.2511 1805.141       583.4766 1379.966       127.1679 224.8320 45.80705 215.6915 10.08085 9.140549       46.90319 
1 1 1 -20 17 26 o 75.39090 23.11102 177.3924       111.8581 209.3594       580.0081 176.1575       113.9982 111.6443 48.28420 75.26156 23.37672 36.38279       53.64546 
1 1 1 -20 17 27 o 125.2442 17.34426 483.6226       123.9831 -376.3257      597.2433 522.3507       126.7442 89.94178 42.58132 130.3677 16.98017 -40.42594      45.84207 
1 1 1 -20 17 28 o 44.42255 19.81372 -32.23447      104.7965 -838.8295      542.8870 -1.015248      106.8053 72.94143 35.91497 48.08649 20.75790 24.85494       41.48222 
1 1 1 -20 17 29 o 177.4287 11.19609 944.1820       115.9099 221.9259       530.8139 980.3452       118.7763 103.6650 45.48708 180.7848 11.25844 -77.11974      46.85965 
1 1 1 -20 17 30 o 181.7273 13.42969 1003.622       142.1207 0.000000       0.000000 1003.622       142.1207 ?        ?        181.7273 13.42969 0.000000       13.42969 
1 1 1 -20 17 31 o 86.76643 20.09838 246.1475       100.2628 338.0081       495.5462 242.2265       102.3803 103.5252 44.70115 85.88772 20.59224 17.63744       49.21618 
1 1 1 -20 17 32 o 119.6460 16.02584 448.7744       109.6272 600.2921       465.5612 439.8800       112.7990 116.5007 46.05323 118.0922 16.75665 -1.591438      49.00699 
1 1 1 -20 17 33 o 135.6612 14.54408 570.8018       113.9115 321.7838       459.5391 587.1046       117.5812 98.43834 42.77339 137.4635 14.81863 -39.02515      45.26759 
1 1 1 -20 17 34 o 150.6586 13.12432 698.5947       114.8073 717.3458       467.4356 697.3909       118.4352 119.4494 46.46274 150.2780 13.58455 -30.82865      48.40792 
1 1 1 -20 17 35 o 52.17662 21.39308 50.65006       104.5211 182.0656       432.1102 42.48331       107.7198 86.99993 39.39436 51.66191 21.50016 35.33802       44.87953 
1 1 1 -20 17 36 o 62.09443 22.74875 118.8591       108.2622 -496.5495      433.2593 159.8438       111.8091 64.43539 31.79482 68.89169 23.29199 -4.456299      39.41354 
1 1 1 -20 17 37 o 45.01604 19.96339 -9.079775      104.8434 761.7039       421.9448 -59.79989      108.2379 117.6142 44.54804 41.19738 19.04719 76.41682       48.44919 
1 1 1 -20 17 38 o 97.53838 19.73501 323.0459       109.0110 32.27118       419.5925 344.0930       112.8873 76.65485 36.10850 100.6853 19.82330 -24.03043      41.19207 
1 1 1 -20 17 39 o 119.1193 18.46133 473.2466       124.8017 487.3296       434.2002 471.9783       130.3000 95.36340 41.50575 118.1822 19.47724 -22.81879      45.84855 
1 1 1 -20 17 40 o 143.0600 15.97286 663.1616       131.7303 827.1408       474.8996 649.4929       137.1107 110.6631 45.51167 140.7483 16.95118 -30.08521      48.56598 
1 1 1 -20 17 41 o 69.50175 25.19335 174.6382       132.2766 -115.4487      462.1070 200.5284       138.0533 71.11127 34.61163 73.21695 25.82830 -2.105675      43.18641 
1 1 1 -20 17 42 o 54.95455 23.50956 55.62467       134.6828 462.7337       387.3833 -0.3515339     143.6439 90.99067 39.40588 51.08497 22.95975 39.90570       45.60673 
1 1 1 -20 18 1  o 288.7001 12.17053 2465.742       205.6040 2577.740       247.5226 2216.486       369.2610 294.6920 14.36503 270.4215 23.51678 24.27048       27.55709 
1 1 1 -20 18 2  o 487.0001 18.24855 7075.873       520.2822 7075.873       520.2822 0.000000       0.000000 487.0001 18.24855 ?        ?        0.000000       18.24855 
1 1 1 -20 18 3  o 109.3082 21.18447 369.4741       130.9021 252.0361       143.7583 939.3662       316.6832 90.12949 25.85362 172.1593 32.55727 -82.02980      41.57386 
1 1 1 -20 18 4  o 263.7251 12.14019 2058.360       187.2668 1982.448       219.2934 2262.818       359.8890 258.2909 14.53522 273.5378 22.63618 -15.24686      26.90110 
1 1 1 -20 18 5  o 442.9512 15.42754 5827.066       400.1655 0.000000       0.000000 5827.066       400.1655 ?        ?        442.9512 15.42754 0.000000       15.42754 
1 1 1 -20 18 6  o 341.7288 10.71380 3446.920       214.4562 3424.556       295.0968 3471.952       312.1991 339.5973 14.85256 341.7187 15.61933 -2.121429      21.55370 
1 1 1 -20 18 7  o 106.6611 18.18552 348.0000       109.6816 336.8631       127.8550 379.0359       213.4363 104.1587 21.63795 109.6221 31.51994 -5.463432      38.23228 
1 1 1 -20 18 8  o 245.2747 10.85096 1777.720       155.7024 1955.358       203.9374 1529.466       241.0888 256.7151 13.59395 225.8103 18.36303 30.90474       22.84724 
1 1 1 -20 18 9  o 197.7461 11.94452 1158.815       137.8788 1263.019       171.1774 966.3217       232.6551 206.0327 14.25428 177.9326 22.81961 28.10011       26.90574 
1 1 1 -20 18 10 o 114.3828 17.60688 398.0997       114.3292 444.0155       137.0325 292.9308       207.3892 120.3331 20.12756 98.30546 31.65840 22.02765       37.51497 
1 1 1 -20 18 11 o 122.9384 15.92926 455.9063       112.1533 613.8909       134.6873 98.64711       202.5401 142.8533 16.37175 75.73592 30.23357 67.11738       34.38173 
1 1 1 -20 18 12 o 193.5643 12.46547 1111.592       140.7568 1226.863       175.6529 904.7543       235.2942 202.9132 14.86339 171.7075 24.02169 31.20567       28.24822 
1 1 1 -20 18 13 f 360.3698 26.39239 3959.915       553.9305 0.000000       0.000000 3959.915       553.9305 ?        ?        360.3698 26.39239 0.000000       26.39239 
1 1 1 -20 18 14 o 173.3789 43.27528 1000.475       438.6232 0.000000       0.000000 1000.475       438.6232 ?        ?        173.3789 43.27528 0.000000       43.27528 
1 1 1 -20 18 15 o 396.0232 12.11800 4638.958       281.1193 4779.582       375.2012 4458.981       424.4669 400.7124 15.99759 385.9184 18.81084 14.79398       24.69353 
1 1 1 -20 18 16 o 153.7393 16.32703 710.8168       144.9635 639.2005       156.3540 1149.312       386.8882 145.0912 18.81739 188.6214 36.29120 -43.53020      40.87964 
1 1 1 -20 18 17 o 60.81968 22.51002 89.15308       106.4528 40.36241       119.7658 272.7415       232.3203 56.36903 22.98088 96.77903 33.54980 -40.41000      40.66583 
1 1 1 -20 18 18 o 47.29227 21.01673 -38.03675      116.8079 -1.589169      134.4825 -150.0029      235.7084 54.55233 23.41779 61.84103 28.41658 -7.288704      36.82248 
1 1 1 -20 18 19 o 275.5691 11.49558 2250.037       185.3775 2283.726       232.4154 2191.128       307.3386 276.8310 14.36441 269.3011 19.59340 7.529907       24.29480 
1 1 1 -20 18 20 o 170.1096 13.75622 865.4827       136.0694 1045.090       181.7608 636.4932       205.2326 186.1823 16.82753 142.1365 25.55973 44.04579       30.60172 
1 1 1 -20 18 21 o 197.7773 12.03677 1163.995       138.9555 1272.550       184.6741 1022.329       210.9653 205.8957 15.40523 182.9321 19.98888 22.96362       25.23641 
1 1 1 -20 18 22 o 233.2633 10.60945 1613.524       144.7609 1565.000       193.3116 1675.476       218.4272 228.6217 14.49209 236.1077 15.86626 -7.486053      21.48857 
1 1 1 -20 18 23 o 183.8203 10.50864 1003.497       112.8177 717.1709       598.9233 1014.030       114.8741 143.1159 53.31252 184.7550 10.64679 -41.63908      54.36523 
1 1 1 -20 18 24 o 153.1767 13.71017 705.1586       121.8636 752.0676       629.6474 703.3330       124.2123 144.6584 54.50174 152.8960 14.00766 -8.237564      56.27303 
1 1 1 -20 18 25 o 252.3492 9.500426 1886.842       140.3522 1788.038       672.0808 1891.347       143.5166 214.4412 53.59279 252.5937 9.705945 -38.15250      54.46460 
1 1 1 -20 18 26 o 182.6797 14.18538 1006.035       150.7881 31.21996       611.3303 1069.184       155.5956 104.7856 47.20700 188.3551 14.18974 -83.56949      49.29350 
1 1 1 -20 18 27 o 48.84129 21.31602 -11.14222      115.1927 -723.0994      579.5359 18.14308       117.5380 78.76723 38.43150 52.42036 22.17619 26.34688       44.37075 
1 1 1 -20 18 28 o 111.4963 17.10276 387.6834       108.2712 -91.16897      552.2352 406.8260       110.4141 92.76923 42.93739 114.3115 16.98512 -21.54227      46.17482 
1 1 1 -20 18 29 f 56.13524 22.07457 67.95729       106.4659 9.739260       527.3499 70.43103       108.7043 92.94695 42.63403 56.81873 22.31686 36.12822       48.12175 
1 1 1 -20 18 30 o 120.7353 16.01600 454.4990       110.6122 28.67037       483.1776 478.0497       113.6297 89.46628 40.95214 123.8672 16.01630 -34.40092      43.97272 
1 1 1 -20 18 31 o 52.72184 21.31323 51.64860       102.0073 273.0587       483.6794 41.34227       104.3545 98.69164 43.35900 51.77183 21.31747 46.91981       48.31602 
1 1 1 -20 18 32 o 102.1005 19.45567 339.4664       112.2475 917.7546       464.3436 303.5768       115.6782 138.7538 47.45800 95.59533 21.18990 43.15842       51.97378 
1 1 1 -20 18 33 o 107.8010 18.80687 377.5869       114.5800 554.9874       460.6909 365.8896       118.2973 110.1284 45.00583 105.5224 19.84342 4.605988       49.18623 
1 1 1 -20 18 34 o 45.67823 20.20327 -10.65264      106.6814 -378.1588      452.2432 11.00263       109.7796 69.67789 33.98634 48.50834 20.99263 21.16956       39.94698 
1 1 1 -20 18 35 o 48.59404 20.90682 16.99680       107.6433 -223.6904      433.0561 32.84706       111.1312 71.81059 34.60162 50.97466 21.56390 20.83593       40.77099 
1 1 1 -20 18 36 o 49.80248 21.45806 20.52133       113.7129 -247.0396      436.6123 39.99086       117.7775 70.44785 34.13840 52.57592 22.21828 17.87193       40.73183 
1 1 1 -20 18 37 o 75.05320 23.73720 200.4084       117.0066 -418.7995      429.3297 250.0897       121.6100 64.61211 31.83784 83.39627 23.73263 -18.78416      39.71002 
1 1 1 -20 18 38 o 51.87983 22.14348 37.61834       118.9945 115.3084       435.5029 31.35027       123.7016 79.48067 37.23269 51.91158 22.37386 27.56908       43.43803 
1 1 1 -20 18 39 o 59.89399 23.48328 105.0956       120.1832 -114.4731      432.2564 123.4913       125.1165 71.12292 34.34458 62.71802 24.13442 8.404896       41.97643 
1 1 1 -20 18 40 o 42.67185 19.93066 -71.44538      123.2718 -92.44673      416.1363 -69.42520      129.0646 69.87811 33.73227 43.86232 20.45586 26.01579       39.45008 
1 1 1 -20 18 41 o 137.1167 18.21684 630.4469       142.8709 241.2490       396.1548 688.6359       153.1794 80.56000 36.95220 142.8714 18.73195 -62.31140      41.42887 
1 1 1 -20 19 1  o 191.9238 13.49958 1094.766       150.9803 1200.778       170.3319 706.1207       326.1328 200.8328 14.56029 147.5265 37.59164 53.30632       40.31295 
1 1 1 -20 19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 19 3  o 360.3405 16.94757 3868.368       357.1515 0.000000       0.000000 3868.368       357.1515 ?        ?        360.3405 16.94757 0.000000       16.94757 
1 1 1 -20 19 4  o 461.5099 26.38574 6474.528       711.1926 0.000000       0.000000 6474.528       711.1926 ?        ?        461.5099 26.38574 0.000000       26.38574 
1 1 1 -20 19 5  o 241.1137 12.21578 1721.378       172.1774 1931.776       214.6592 1341.832       288.3107 254.9920 14.41266 209.8094 23.85370 45.18259       27.86976 
1 1 1 -20 19 6  f 53.58190 22.18349 25.67545       113.8385 119.4018       128.3029 -321.1203      246.7984 68.48616 24.81390 55.73457 26.66192 12.75159       36.42236 
1 1 1 -20 19 7  o 310.9100 16.94602 2882.280       307.8279 0.000000       0.000000 2882.280       307.8279 ?        ?        310.9100 16.94602 0.000000       16.94602 
1 1 1 -20 19 8  o 445.3379 11.34889 5855.901       296.1689 6094.461       452.5772 5677.219       391.6833 452.3695 17.08954 437.2597 15.29729 15.10980       22.93599 
1 1 1 -20 19 9  o 175.0972 12.46793 910.3453       127.1960 992.3832       151.1956 711.6896       235.2785 182.5223 14.23703 150.8804 27.60580 31.64195       31.06079 
1 1 1 -20 19 10 o 125.0977 16.87480 473.3252       120.6507 360.0261       142.8332 755.5014       225.4116 107.4053 23.34328 156.2175 25.48097 -48.81221      34.55704 
1 1 1 -20 19 11 o 335.2456 10.79740 3318.247       212.0146 3294.293       291.4919 3345.154       308.9359 332.9932 14.96414 335.3246 15.75318 -2.331482      21.72758 
1 1 1 -20 19 12 o 329.7567 10.88539 3211.313       210.2289 3272.052       289.1426 3143.193       306.2079 331.8496 14.89459 324.8712 16.12180 6.978333       21.94906 
1 1 1 -20 19 13 o 287.3667 11.21122 2441.062       188.5844 2320.171       229.1527 2694.757       331.9601 279.5154 14.02355 299.7733 18.97920 -20.25787      23.59809 
1 1 1 -20 19 14 o 354.5796 10.59886 3712.458       220.1585 3634.807       310.3212 3791.149       312.3915 349.5822 15.17214 357.1075 14.94897 -7.525238      21.29942 
1 1 1 -20 19 15 o 102.1064 19.08286 321.5432       110.0733 346.6794       124.4333 231.1049       236.0276 105.7127 20.81170 92.57113 33.63914 13.14156       39.55653 
1 1 1 -20 19 16 o 260.3628 10.50403 2004.146       160.0637 1618.236       204.2131 2618.920       257.7498 232.8792 15.03241 296.5336 14.86831 -63.65437      21.14332 
1 1 1 -20 19 17 o 314.6607 11.49153 2931.347       211.7098 3056.889       271.4312 2736.331       338.2975 320.4470 14.48027 301.4086 19.23826 19.03842       24.07880 
1 1 1 -20 19 18 o 108.7801 19.54337 365.8948       120.0983 341.6411       148.1151 412.4483       205.2044 103.8526 24.68343 113.1493 30.31398 -9.296677      39.09231 
1 1 1 -20 19 19 o 287.5106 10.43237 2446.390       175.6171 2451.345       243.6591 2441.033       253.3440 286.5698 14.54535 285.7440 15.17198 0.8258362      21.01800 
1 1 1 -20 19 20 o 53.48500 22.04068 31.58705       111.6742 59.13960       136.3726 -24.50010      194.5710 61.19786 24.67758 62.95853 27.58493 -1.760674      37.01231 
1 1 1 -20 19 21 o 117.0195 27.88272 442.7583       188.6241 749.7274       638.4373 413.4008       197.4378 146.6257 54.95762 112.6960 29.52445 33.92970       62.38617 
1 1 1 -20 19 22 o 232.3701 9.990766 1599.931       135.8356 1333.740       609.0010 1613.868       139.3460 187.6839 53.00786 233.3289 10.20770 -45.64496      53.98176 
1 1 1 -20 19 23 o 66.29828 23.42933 121.5946       113.6388 -364.0530      583.7082 140.7267       115.8556 91.16515 42.83272 69.59303 23.70766 21.57211       48.95605 
1 1 1 -20 19 24 o 84.80384 24.60186 229.2025       129.4906 672.9126       603.7364 207.8065       132.5759 137.8701 53.02541 81.34628 25.20029 56.52387       58.70901 
1 1 1 -20 19 25 o 213.9483 11.03226 1363.678       137.9604 1662.224       678.6215 1350.808       140.9029 201.7926 55.57827 212.8429 11.32863 -11.05028      56.72109 
1 1 1 -20 19 26 o 173.3972 12.49939 903.0151       126.2575 1022.652       581.3820 897.0935       129.3444 156.8842 53.11238 172.7054 12.86236 -15.82121      54.64765 
1 1 1 -20 19 27 o 56.01303 23.13667 42.53590       123.4432 0.000000       0.000000 42.53590       123.4432 ?        ?        56.01303 23.13667 0.000000       23.13667 
1 1 1 -20 19 28 o 102.7264 18.79713 335.8246       109.0744 -1.077932      511.2540 351.8906       111.6448 91.95230 42.10326 105.2175 18.78170 -13.26518      46.10246 
1 1 1 -20 19 29 o 60.68996 22.62173 99.30560       107.8685 -335.1457      481.1838 122.2936       110.6856 77.17097 36.99969 64.55403 23.09077 12.61694       43.61377 
1 1 1 -20 19 30 o 182.5582 10.86942 1003.674       115.8477 770.9652       500.4384 1016.851       119.0824 128.4134 48.54291 183.6501 11.10814 -55.23665      49.79764 
1 1 1 -20 19 31 o 109.6006 17.52606 382.8098       108.8608 -118.4751      515.0228 406.2534       111.3772 84.05437 39.71861 113.0538 17.35149 -28.99945      43.34331 
1 1 1 -20 19 32 o 145.1280 14.28885 652.3110       120.0427 1287.330       475.9725 609.1753       124.0528 166.6255 46.79289 139.6118 15.40667 27.01373       49.26398 
1 1 1 -20 19 33 o 58.16619 22.71862 86.12031       112.1262 366.4504       456.5079 68.12286       115.6695 97.69991 42.54017 56.23666 22.70943 41.46325       48.22224 
1 1 1 -20 19 34 f 68.74186 22.71000 158.2544       106.3812 -102.6203      440.4900 174.4125       109.6262 76.28655 36.24783 71.59934 23.01344 4.687210       42.93627 
1 1 1 -20 19 35 o 43.50692 19.73105 -35.66411      108.9101 -193.2142      442.0584 -25.48310      112.3740 72.61702 34.98243 45.10688 20.28733 27.51014       40.43941 
1 1 1 -20 19 36 o 82.58517 23.61975 243.7756       120.1599 345.8004       457.3656 236.2115       124.5346 91.51109 41.06186 81.01976 24.29224 10.49133       47.70943 
1 1 1 -20 19 37 o 54.09991 22.74121 52.41084       122.3407 63.18822       454.9629 51.57080       127.0191 78.94859 37.31345 54.63061 23.07940 24.31798       43.87428 
1 1 1 -20 19 38 o 111.1394 19.63874 419.4135       123.3261 322.3809       454.6507 427.1201       128.1300 87.42999 39.90788 111.6591 20.31431 -24.22915      44.78069 
1 1 1 -20 19 39 o 96.01302 22.74693 332.5085       126.1079 42.26166       447.1146 357.5936       131.4445 75.80785 36.16053 99.48123 22.99059 -23.67338      42.85033 
1 1 1 -20 19 40 o 74.02291 25.25555 205.3046       131.4864 303.5264       409.4232 194.0093       138.8411 83.69531 38.07453 72.25867 25.85970 11.43665       46.02602 
1 1 1 -20 19 41 o 54.47638 23.29409 54.13770       132.1130 712.5499       416.6113 -19.47543      139.3028 104.4819 42.76018 48.93575 22.24110 55.54620       48.19854 
1 1 1 -20 20 1  o 305.7708 12.40835 2766.095       222.0535 2944.604       266.3354 2359.106       402.1522 315.0083 14.45491 278.5720 24.87665 36.43628       28.77138 
1 1 1 -20 20 2  f 158.5519 51.97823 830.9722       557.6814 0.000000       0.000000 830.9722       557.6814 ?        ?        158.5519 51.97823 0.000000       51.97823 
1 1 1 -20 20 3  o 278.3366 12.58443 2293.505       204.8942 2292.096       239.6131 2297.340       395.2010 277.7574 14.76240 274.8806 24.78030 2.876831       28.84426 
1 1 1 -20 20 4  o 109.9605 24.01319 377.7192       150.5107 320.5385       156.4853 1083.941       549.9448 101.0328 26.19407 178.6282 50.34513 -77.59539      56.75175 
1 1 1 -20 20 5  o 194.8403 14.06158 1129.475       159.5997 1247.429       179.2539 678.3353       350.5637 204.6053 15.04347 144.2365 40.03128 60.36885       42.76458 
1 1 1 -20 20 6  o 136.4445 51.94061 511.8328       575.3613 0.000000       0.000000 511.8328       575.3613 ?        ?        136.4445 51.94061 0.000000       51.94061 
1 1 1 -20 20 7  o 157.4064 14.85774 740.6461       135.5367 655.3707       156.4740 996.8690       271.2308 147.1724 18.53911 179.5990 26.54952 -32.42661      32.38172 
1 1 1 -20 20 8  o 302.4425 10.78982 2701.060       191.0782 2445.798       241.9381 3124.242       311.5124 286.9829 14.42088 323.8525 16.45521 -36.86963      21.88003 
1 1 1 -20 20 9  o 374.2248 10.84953 4134.245       237.8677 4125.213       338.6308 4143.042       334.2043 372.5139 15.53416 373.3971 15.29364 -0.8832092     21.79920 
1 1 1 -20 20 10 f 358.3658 10.79971 3791.658       226.7219 4075.756       330.6353 3539.514       311.4873 370.3263 15.25615 345.0088 15.43336 25.31747       21.70112 
1 1 1 -20 20 11 o 296.6305 10.45704 2598.061       181.6332 2574.395       245.4267 2626.719       270.0750 294.4075 14.25658 297.0333 15.55770 -2.625793      21.10195 
1 1 1 -20 20 12 o 214.6797 11.51396 1364.917       144.4357 1482.527       182.4984 1167.752       236.2944 223.2480 14.00929 196.2506 20.84879 26.99733       25.11837 
1 1 1 -20 20 13 o 108.0294 43.86180 221.1568       434.1708 0.000000       0.000000 221.1568       434.1708 ?        ?        108.0294 43.86180 0.000000       43.86180 
1 1 1 -20 20 14 o 290.7838 10.53978 2498.900       179.4458 2513.107       242.9878 2481.856       266.1387 290.6665 14.29795 288.4000 15.79514 2.266541       21.30535 
1 1 1 -20 20 15 o 79.93124 21.93284 199.0507       105.9077 105.9481       117.5005 602.2597       244.5252 64.87504 23.71033 136.8099 31.17321 -71.93490      39.16566 
1 1 1 -20 20 16 o 235.1309 13.04977 1643.955       179.2488 1601.015       197.4107 1845.635       427.8307 231.6254 14.60667 241.9535 30.85091 -10.32813      34.13406 
1 1 1 -20 20 17 o 60.56361 22.70220 86.11217       108.9478 114.7711       121.9355 -27.32942      242.5975 66.60767 24.18222 70.26960 30.79464 -3.661926      39.15469 
1 1 1 -20 20 18 o 69.19776 23.54411 137.2932       114.2576 89.88680       129.5908 302.8143       242.1489 64.04346 24.58332 99.85176 34.26775 -35.80830      42.17367 
1 1 1 -20 20 19 o 239.4712 16.82059 1726.894       234.7328 0.000000       0.000000 1726.894       234.7328 ?        ?        239.4712 16.82059 0.000000       16.82059 
1 1 1 -20 20 20 o 280.7766 9.510139 2331.726       156.3763 0.000000       0.000000 2331.726       156.3763 ?        ?        280.7766 9.510139 0.000000       9.510139 
1 1 1 -20 20 21 o 174.9958 12.56506 914.8138       128.0980 0.000000       0.000000 914.8138       128.0980 ?        ?        174.9958 12.56506 0.000000       12.56506 
1 1 1 -20 20 22 o 42.13982 19.42941 -80.03481      111.5100 -1301.333      600.8660 -36.47209      113.4813 71.43520 35.61891 46.36850 20.65409 25.06670       41.17400 
1 1 1 -20 20 23 o 76.10111 23.36403 180.6863       114.2664 505.4272       609.1472 168.8426       116.3315 128.2251 51.99330 74.15211 23.69401 54.07294       57.13763 
1 1 1 -20 20 24 o 361.9250 8.944232 3874.880       189.8507 4204.395       702.1829 3848.892       197.1950 355.6214 34.08429 360.4518 9.336067 -4.830414      35.33979 
1 1 1 -20 20 25 o 250.7108 9.780117 1867.510       143.5271 866.7162       639.2229 1920.644       147.2879 145.2057 54.86892 254.2176 9.897862 -109.0120      55.75452 
1 1 1 -20 20 26 o 180.6788 11.23549 977.9397       118.4665 1648.250       553.0125 945.6995       121.2820 204.7243 47.04724 177.5008 11.71604 27.22354       48.48410 
1 1 1 -20 20 27 o 28.24014 14.15870 -279.9159      101.0400 -65.88200      517.0089 -288.4153      103.0266 90.10872 41.64941 28.39859 14.24647 61.71013       44.01858 
1 1 1 -20 20 28 o 50.30585 21.34460 19.16780       109.4279 -741.0715      483.2384 60.25864       112.3463 67.45454 33.33905 55.83478 22.43925 11.61977       40.18721 
1 1 1 -20 20 29 f 151.8822 12.95543 703.3318       114.3002 608.6138       555.3768 707.5212       116.8006 117.8608 48.91491 152.2208 13.21419 -34.35992      50.66837 
1 1 1 -20 20 30 o 167.0385 11.84068 846.3588       115.2444 519.4828       504.6344 864.3446       118.3725 111.0176 46.39413 168.7165 12.04224 -57.69887      47.93153 
1 1 1 -20 20 31 o 49.47716 20.97403 23.06266       105.5002 -8.731945      521.7117 24.41826       107.7257 86.99344 40.75189 50.04278 21.20309 36.95066       45.93787 
1 1 1 -20 20 32 o 130.3707 14.84945 531.4344       111.5163 469.2105       451.7671 535.4719       115.0774 103.9398 43.69657 130.6196 15.31248 -26.67982      46.30186 
1 1 1 -20 20 33 o 107.6013 18.52209 378.7289       112.6690 132.8317       461.2033 394.3352       116.1894 86.07150 39.62310 109.7184 18.72830 -23.64687      43.82624 
1 1 1 -20 20 34 o 88.45857 21.40519 268.4722       109.8345 -548.3911      448.6254 320.5561       113.2820 64.50111 31.92344 97.42792 20.47705 -32.92680      37.92645 
1 1 1 -20 20 35 o 50.83669 21.80816 26.87751       116.4850 -9.477168      463.3442 29.33023       120.3502 78.62402 37.30575 51.70789 22.17419 26.91613       43.39832 
1 1 1 -20 20 36 o 48.85234 21.36078 10.69430       116.1482 279.7776       466.7839 -7.065468      119.9199 87.75648 40.20021 47.79744 21.26485 39.95905       45.47802 
1 1 1 -20 20 37 o 62.89836 23.57781 126.8643       117.5151 -485.3838      463.6504 168.8952       121.4819 64.49232 32.01227 69.35714 24.24724 -4.864822      40.15862 
1 1 1 -20 20 38 o 47.88166 21.27624 -1.283394      119.6760 -487.0263      477.8327 31.22560       123.6159 64.76628 32.20706 51.63910 22.31180 13.12719       39.18049 
1 1 1 -20 20 39 o 90.57938 24.17988 305.9578       130.8511 2.940593       456.0805 333.1375       136.5936 74.28432 35.72110 94.38601 24.47361 -20.10169      43.30075 
1 1 1 -20 20 40 o 55.11295 23.43850 58.50650       132.4754 -252.4460      456.6567 87.08004       138.4283 67.25325 33.07995 58.75218 24.40535 8.501068       41.10844 
1 1 1 -20 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 21 2  o 427.5510 17.39081 5447.398       435.1619 0.000000       0.000000 5447.398       435.1619 ?        ?        427.5510 17.39081 0.000000       17.39081 
1 1 1 -20 21 3  o 274.6212 12.60072 2233.175       202.4049 2247.970       233.9964 2189.207       403.3684 275.0874 14.55581 267.7229 26.01783 7.364441       29.81274 
1 1 1 -20 21 4  o 498.9923 27.37312 7589.871       797.9983 0.000000       0.000000 7589.871       797.9983 ?        ?        498.9923 27.37312 0.000000       27.37312 
1 1 1 -20 21 5  o 205.0797 12.50077 1247.322       149.6381 1171.498       173.3161 1469.346       296.5771 198.2236 15.02026 219.7636 23.36869 -21.53998      27.77956 
1 1 1 -20 21 6  o 247.7215 12.09796 1816.860       175.2309 1914.077       213.8687 1618.302       305.6480 253.7733 14.42927 230.8820 22.87288 22.89128       27.04390 
1 1 1 -20 21 7  o 348.0662 16.96098 3612.445       345.1866 0.000000       0.000000 3612.445       345.1866 ?        ?        348.0662 16.96098 0.000000       16.96098 
1 1 1 -20 21 8  o 199.4879 49.62860 1360.287       578.2543 0.000000       0.000000 1360.287       578.2543 ?        ?        199.4879 49.62860 0.000000       49.62860 
1 1 1 -20 21 9  o 70.60371 22.48179 147.8920       104.8050 155.8450       119.3775 121.1521       218.8954 73.11990 24.05273 79.84081 31.57306 -6.720909      39.69120 
1 1 1 -20 21 10 o 302.2022 10.37255 2696.793       183.5649 2848.774       255.5650 2534.821       263.8323 309.7068 14.10724 291.7251 15.47606 17.98169       20.94093 
1 1 1 -20 21 11 o 295.6500 10.47579 2582.193       181.3544 2630.796       244.3781 2522.617       270.5641 297.5550 14.04338 290.8134 15.92450 6.741577       21.23220 
1 1 1 -20 21 12 o 171.5626 12.46158 875.4232       124.5304 852.0930       150.9035 925.2302       220.4879 168.6160 15.43073 173.8790 22.12170 -5.263046      26.97178 
1 1 1 -20 21 13 o 358.0661 10.52625 3788.264       220.8085 3947.833       323.8372 3649.617       301.8605 364.0564 15.20072 350.1790 14.73115 13.87738       21.16763 
1 1 1 -20 21 14 o 252.1359 10.86362 1881.600       160.2653 1869.345       210.2221 1898.607       247.6475 250.4460 14.37280 251.6454 16.87769 -1.199417      22.16830 
1 1 1 -20 21 15 o 139.7683 15.31467 588.5100       123.4825 434.4938       141.6634 1075.674       251.9487 118.3038 21.19631 186.7684 23.52217 -68.46463      31.66348 
1 1 1 -20 21 16 o 146.0303 14.93537 641.6821       126.1118 603.5863       143.8334 768.3344       262.2570 140.8233 17.81333 154.7016 29.98839 -13.87830      34.88006 
1 1 1 -20 21 17 o 326.5470 8.722344 3147.247       166.8939 0.000000       0.000000 3147.247       166.8939 ?        ?        326.5470 8.722344 0.000000       8.722344 
1 1 1 -20 21 18 o 245.1223 9.821218 1778.321       140.9024 0.000000       0.000000 1778.321       140.9024 ?        ?        245.1223 9.821218 0.000000       9.821218 
1 1 1 -20 21 19 o 130.1740 16.39655 515.5294       122.4067 0.000000       0.000000 515.5294       122.4067 ?        ?        130.1740 16.39655 0.000000       16.39655 
1 1 1 -20 21 20 o 247.1736 10.15671 1810.762       146.9195 0.000000       0.000000 1810.762       146.9195 ?        ?        247.1736 10.15671 0.000000       10.15671 
1 1 1 -20 21 21 f 276.6457 9.340590 2264.989       151.3302 0.000000       0.000000 2264.989       151.3302 ?        ?        276.6457 9.340590 0.000000       9.340590 
1 1 1 -20 21 22 o 150.0607 14.86759 681.2034       129.1269 0.000000       0.000000 681.2034       129.1269 ?        ?        150.0607 14.86759 0.000000       14.86759 
1 1 1 -20 21 23 o 238.9070 10.47633 1697.184       146.4305 0.000000       0.000000 1697.184       146.4305 ?        ?        238.9070 10.47633 0.000000       10.47633 
1 1 1 -20 21 24 o 132.8625 16.86372 543.3301       128.4470 0.000000       0.000000 543.3301       128.4470 ?        ?        132.8625 16.86372 0.000000       16.86372 
1 1 1 -20 21 25 o 259.4930 8.998390 1999.562       136.7361 1381.163       595.7537 2033.950       140.4865 179.0012 53.00228 261.6550 9.169104 -82.65373      53.78954 
1 1 1 -20 21 26 o 130.1059 15.19831 520.8719       113.7871 286.4842       556.3220 531.1056       116.2446 106.6684 46.69246 131.3181 15.38513 -24.64973      49.16185 
1 1 1 -20 21 27 o 36.80137 17.67646 -146.2201      110.9516 -210.6712      489.0893 -142.7234      113.9216 81.83599 38.68096 37.70119 18.05647 44.13480       42.68785 
1 1 1 -20 21 28 o 86.46473 21.63828 247.8022       109.4535 -569.7780      498.6823 289.1816       112.1891 71.85243 35.18366 93.79592 20.92669 -21.94349      40.93674 
1 1 1 -20 21 29 o 154.3064 12.74288 726.4038       114.2922 1617.261       572.5551 689.4323       116.6397 184.6425 51.12655 149.9977 13.39999 34.64476       52.85342 
1 1 1 -20 21 30 o 104.7622 18.38250 354.0121       108.8260 458.0452       470.4058 348.1293       111.8606 106.0329 44.58343 103.4942 19.13398 2.538635       48.51589 
1 1 1 -20 21 31 o 61.53833 22.47473 112.3464       105.5449 -234.7051      472.4626 130.5755       108.2814 75.94781 36.47855 64.67429 22.86902 11.27352       43.05435 
1 1 1 -20 21 32 o 158.7244 12.80850 775.6586       118.2201 554.5615       436.7626 793.1377       122.8042 107.3735 43.84371 160.2915 13.17959 -52.91799      45.78179 
1 1 1 -20 21 33 o 41.10442 18.98233 -60.71616      107.0510 -602.6489      471.6721 -31.28455      109.9194 65.26527 32.37733 44.20810 19.95755 21.05717       38.03413 
1 1 1 -20 21 34 o 141.1196 14.44489 625.9653       117.8656 345.9908       442.2892 647.3682       122.2878 92.61584 41.04151 143.3245 14.75906 -50.70868      43.61462 
1 1 1 -20 21 35 o 102.7071 21.51982 364.8460       125.4692 -6.021179      456.2500 395.1877       130.5008 77.47958 36.83641 106.9869 21.54453 -29.50729      42.67420 
1 1 1 -20 21 36 o 86.75299 23.23012 271.3635       120.5428 107.8636       459.3027 283.4583       124.9218 80.11170 37.74968 88.42081 23.63561 -8.309113      44.53853 
1 1 1 -20 21 37 o 51.49378 22.12576 33.75227       120.2658 179.0045       490.9835 24.48087       124.0447 82.45455 38.90748 51.10789 22.21502 31.34666       44.80289 
1 1 1 -20 21 38 o 54.34977 23.26408 49.09492       132.0218 367.3710       473.1653 22.22488       137.4818 87.39626 40.19680 52.50226 23.08967 34.89400       46.35640 
1 1 1 -20 21 39 o 69.11793 25.46862 171.9709       136.0146 449.6233       441.5646 142.8651       142.9660 90.09615 40.39294 65.56753 25.64060 24.52863       47.84381 
1 1 1 -20 21 40 o 158.8824 15.24631 816.9282       140.3249 569.9701       455.2130 842.8596       147.5083 93.88439 41.61850 160.8076 15.84650 -66.92323      44.53326 
1 1 1 -20 22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 22 2  o 434.9939 28.93367 5807.250       733.9414 0.000000       0.000000 5807.250       733.9414 ?        ?        434.9939 28.93367 0.000000       28.93367 
1 1 1 -20 22 3  o 202.7611 13.03672 1220.956       154.2041 1122.001       168.8482 1718.338       378.5512 193.9408 14.96044 235.9701 27.89229 -42.02928      31.65114 
1 1 1 -20 22 4  o 414.9369 30.28163 5312.472       731.8325 0.000000       0.000000 5312.472       731.8325 ?        ?        414.9369 30.28163 0.000000       30.28163 
1 1 1 -20 22 5  o 139.1012 15.01634 580.5139       120.5635 568.6222       135.0943 627.0432       267.2255 137.1786 17.16672 139.6555 33.12952 -2.476868      37.31301 
1 1 1 -20 22 6  o 383.5490 11.10713 4345.804       249.5833 4192.108       338.1352 4529.765       369.9324 375.4290 15.38983 389.9823 16.20969 -14.55328      22.35175 
1 1 1 -20 22 7  o 178.2388 12.41477 943.8426       128.9640 1036.932       151.8743 703.2109       244.1795 186.5481 13.98346 149.2328 28.94405 37.31538       32.14491 
1 1 1 -20 22 8  f 87.22826 21.93614 237.8737       112.0927 246.2803       128.7861 211.6054       227.6534 88.72823 24.12082 89.82466 32.97486 -1.096436      40.85530 
1 1 1 -20 22 9  o 156.8967 12.96732 733.6785       118.2558 718.6501       141.2551 768.8900       216.2177 154.6688 15.79368 157.6672 24.15099 -2.998383      28.85673 
1 1 1 -20 22 10 o 343.9059 25.96657 3625.200       519.8575 0.000000       0.000000 3625.200       519.8575 ?        ?        343.9059 25.96657 0.000000       25.96657 
1 1 1 -20 22 11 o 140.1374 14.27026 588.8585       115.6489 643.8002       137.2876 454.5996       214.6110 146.1245 16.29689 118.9237 30.59557 27.20074       34.66522 
1 1 1 -20 22 12 o 211.5202 11.27054 1326.278       139.3081 1220.394       172.5290 1524.633       236.1397 202.1127 14.65473 225.0120 18.04539 -22.89926      23.24644 
1 1 1 -20 22 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 22 14 o 126.2793 15.89564 483.0925       115.1204 474.8759       134.6494 505.4168       221.9458 124.3311 19.07398 124.8474 30.56271 -0.5162888     36.02633 
1 1 1 -20 22 15 o 413.6360 9.864826 5053.849       239.3086 0.000000       0.000000 5053.849       239.3086 ?        ?        413.6360 9.864826 0.000000       9.864826 
1 1 1 -20 22 16 f 337.1595 10.68281 3366.569       210.9711 0.000000       0.000000 3366.569       210.9711 ?        ?        337.1595 10.68281 0.000000       10.68281 
1 1 1 -20 22 17 o 196.6337 11.08435 1148.754       127.3082 0.000000       0.000000 1148.754       127.3082 ?        ?        196.6337 11.08435 0.000000       11.08435 
1 1 1 -20 22 18 o 237.7038 9.524825 1672.367       132.5145 0.000000       0.000000 1672.367       132.5145 ?        ?        237.7038 9.524825 0.000000       9.524825 
1 1 1 -20 22 19 o 174.6805 12.28797 911.1301       125.0821 0.000000       0.000000 911.1301       125.0821 ?        ?        174.6805 12.28797 0.000000       12.28797 
1 1 1 -20 22 20 o 408.4808 9.604696 4935.899       230.0943 0.000000       0.000000 4935.899       230.0943 ?        ?        408.4808 9.604696 0.000000       9.604696 
1 1 1 -20 22 21 o 298.3442 9.603745 2637.613       167.8196 0.000000       0.000000 2637.613       167.8196 ?        ?        298.3442 9.603745 0.000000       9.603745 
1 1 1 -20 22 22 o 142.6495 14.36821 616.2788       118.5692 0.000000       0.000000 616.2788       118.5692 ?        ?        142.6495 14.36821 0.000000       14.36821 
1 1 1 -20 22 23 o 118.3065 17.06388 433.1120       114.9777 0.000000       0.000000 433.1120       114.9777 ?        ?        118.3065 17.06388 0.000000       17.06388 
1 1 1 -20 22 24 o 178.6750 12.07349 959.8212       125.7736 0.000000       0.000000 959.8212       125.7736 ?        ?        178.6750 12.07349 0.000000       12.07349 
1 1 1 -20 22 25 o 84.14977 22.47824 232.4411       113.0360 20.46130       581.1995 240.7745       115.2365 97.01423 44.59469 85.58697 22.62003 11.42726       50.00352 
1 1 1 -20 22 26 o 193.1894 10.71368 1120.175       120.9117 235.5835       556.1146 1164.066       123.8750 102.2388 45.61949 196.9262 10.76677 -94.68732      46.87282 
1 1 1 -20 22 27 o 148.5420 13.14540 673.4041       113.3370 443.4854       512.0958 685.2461       116.2191 109.0910 46.22575 149.7501 13.37366 -40.65904      48.12145 
1 1 1 -20 22 28 o 79.06003 22.56220 209.0828       109.7578 -595.6569      527.3646 245.5192       112.2150 72.75010 35.73688 85.62508 22.17251 -12.87498      42.05645 
1 1 1 -20 22 29 o 165.7287 12.10649 835.6495       116.8585 825.9133       522.6633 836.1619       119.8936 127.7983 49.28836 165.6167 12.43438 -37.81835      50.83263 
1 1 1 -20 22 30 o 91.77084 20.99681 282.1999       110.5531 552.4666       447.7899 264.6571       114.0846 109.8392 44.56359 88.31205 22.08605 21.52717       49.73638 
1 1 1 -20 22 31 o 45.18005 20.26458 -25.45558      111.2713 -266.0129      472.7766 -11.34898      114.4874 74.01442 35.78418 47.13058 20.88332 26.88383       41.43212 
1 1 1 -20 22 32 o 101.3288 20.18302 343.8015       115.7263 3.631047       441.1104 368.9456       119.9271 79.78065 37.40475 105.0483 20.19954 -25.26763      42.51043 
1 1 1 -20 22 33 o 107.1884 19.28852 382.0626       116.7961 349.3479       483.5578 384.0894       120.3597 93.54883 42.07850 107.0868 19.89661 -13.53801      46.54541 
1 1 1 -20 22 34 o 52.63607 22.30924 40.75147       119.3250 -449.1955      429.6558 81.69919       124.2113 64.13821 31.65084 58.01028 23.49431 6.127934       39.41774 
1 1 1 -20 22 35 o 52.41476 22.52901 33.78151       124.7683 10.46026       428.9760 35.93668       130.4060 75.94814 35.99499 53.43422 23.00057 22.51392       42.71611 
1 1 1 -20 22 36 o 46.43384 21.27066 -42.23758      130.6808 -90.82525      484.0444 -38.41772      135.7205 74.51665 36.07065 47.57362 21.74909 26.94303       42.12024 
1 1 1 -20 22 37 o 64.46496 24.63176 136.3362       129.7036 266.3898       479.3181 126.0606       134.7302 84.16482 39.30746 63.42971 24.86559 20.73511       46.51208 
1 1 1 -20 22 38 o 76.36264 26.73337 223.7047       147.7021 91.79060       451.2413 239.5341       156.3130 76.66547 36.50158 78.32108 27.49538 -1.655617      45.69859 
1 1 1 -20 22 39 o 144.8196 18.80606 709.7152       155.9574 111.6872       454.9056 789.3666       166.0188 76.66595 36.54320 152.6433 18.95200 -75.97731      41.16532 
1 1 1 -20 23 1  o 130.9856 17.74347 520.6952       132.8035 520.6952       132.8035 0.000000       0.000000 130.9856 17.74347 ?        ?        0.000000       17.74347 
1 1 1 -20 23 2  o 203.1228 12.35820 1224.592       146.5225 1220.517       161.5001 1243.556       348.3888 202.5103 13.67825 198.7265 30.89555 3.783798       33.78801 
1 1 1 -20 23 3  o 256.1719 11.51866 1942.565       172.6122 1892.072       206.7086 2058.886       313.7420 252.2419 14.02829 261.0964 20.65724 -8.854492      24.97027 
1 1 1 -20 23 4  o 209.7291 12.45819 1305.699       152.5468 1470.748       175.0889 785.6606       310.7912 222.4092 13.48656 155.6513 34.90857 66.75790       37.42319 
1 1 1 -20 23 5  o 54.55180 21.95859 43.85095       107.7686 -1.122813      117.0812 293.2985       275.7384 51.09686 21.89073 101.7838 36.44095 -50.68695      42.51056 
1 1 1 -20 23 6  o 55.90113 21.23893 68.19881       96.08864 137.3009       105.4728 -269.1116      233.0290 68.67765 22.60943 55.50001 26.36914 13.17764       34.73497 
1 1 1 -20 23 7  o 183.9143 11.65836 1003.845       125.1015 998.6643       147.9702 1016.828       234.2488 182.9807 13.89237 182.2611 22.38406 0.7195282      26.34471 
1 1 1 -20 23 8  o 82.11123 21.05593 210.6741       101.8722 229.7444       116.5925 149.1326       209.4481 85.64987 22.80660 81.23330 31.23469 4.416573       38.67488 
1 1 1 -20 23 9  o 89.73425 20.12240 251.2809       103.2794 219.1484       117.7282 358.6134       215.1663 83.73322 23.18274 106.2747 31.94594 -22.54149      39.47129 
1 1 1 -20 23 10 f 234.7952 17.73288 1658.648       242.3800 0.000000       0.000000 1658.648       242.3800 ?        ?        234.7952 17.73288 0.000000       17.73288 
1 1 1 -20 23 11 o 344.3353 15.22791 3538.921       306.7587 0.000000       0.000000 3538.921       306.7587 ?        ?        344.3353 15.22791 0.000000       15.22791 
1 1 1 -20 23 12 o 80.99068 37.33339 -225.8680      411.3559 0.000000       0.000000 -225.8680      411.3559 ?        ?        80.99068 37.33339 0.000000       37.33339 
1 1 1 -20 23 13 o 342.9106 9.009194 3471.471       181.0260 0.000000       0.000000 3471.471       181.0260 ?        ?        342.9106 9.009194 0.000000       9.009194 
1 1 1 -20 23 14 o 193.5833 10.78714 1112.199       121.9842 0.000000       0.000000 1112.199       121.9842 ?        ?        193.5833 10.78714 0.000000       10.78714 
1 1 1 -20 23 15 o 187.3754 13.15988 1048.914       143.6960 0.000000       0.000000 1048.914       143.6960 ?        ?        187.3754 13.15988 0.000000       13.15988 
1 1 1 -20 23 16 o 98.24072 20.63330 303.2398       115.0918 0.000000       0.000000 303.2398       115.0918 ?        ?        98.24072 20.63330 0.000000       20.63330 
1 1 1 -20 23 17 o 192.4318 18.72309 1128.667       208.6342 0.000000       0.000000 1128.667       208.6342 ?        ?        192.4318 18.72309 0.000000       18.72309 
1 1 1 -20 23 18 o 172.7790 11.59506 890.0292       116.8134 0.000000       0.000000 890.0292       116.8134 ?        ?        172.7790 11.59506 0.000000       11.59506 
1 1 1 -20 23 19 o 325.1563 8.931822 3126.988       170.1654 0.000000       0.000000 3126.988       170.1654 ?        ?        325.1563 8.931822 0.000000       8.931822 
1 1 1 -20 23 20 o 134.0729 16.44040 549.5764       126.5695 0.000000       0.000000 549.5764       126.5695 ?        ?        134.0729 16.44040 0.000000       16.44040 
1 1 1 -20 23 21 o 59.72935 23.94310 64.31043       127.5658 0.000000       0.000000 64.31043       127.5658 ?        ?        59.72935 23.94310 0.000000       23.94310 
1 1 1 -20 23 22 o 258.5205 9.746896 1986.745       147.5141 0.000000       0.000000 1986.745       147.5141 ?        ?        258.5205 9.746896 0.000000       9.746896 
1 1 1 -20 23 23 o 70.89641 23.69511 155.0865       115.7322 0.000000       0.000000 155.0865       115.7322 ?        ?        70.89641 23.69511 0.000000       23.69511 
1 1 1 -20 23 24 o 148.7176 14.11740 675.1634       121.6564 0.000000       0.000000 675.1634       121.6564 ?        ?        148.7176 14.11740 0.000000       14.11740 
1 1 1 -20 23 25 o 201.1908 10.43300 1213.378       122.6822 0.000000       0.000000 1213.378       122.6822 ?        ?        201.1908 10.43300 0.000000       10.43300 
1 1 1 -20 23 26 o 99.87131 19.47405 322.7499       109.9647 0.000000       0.000000 322.7499       109.9647 ?        ?        99.87131 19.47405 0.000000       19.47405 
1 1 1 -20 23 27 o 162.4479 12.29037 802.3671       116.2239 508.8508       532.1288 817.0705       119.0994 110.9418 47.07032 163.8433 12.48863 -52.90154      48.69888 
1 1 1 -20 23 28 o 111.9037 18.06381 401.4250       114.5145 284.8336       507.2353 407.6866       117.5494 98.26801 43.72567 112.5968 18.43861 -14.32880      47.45436 
1 1 1 -20 23 29 o 79.13227 23.07441 213.4855       113.6491 125.3734       501.6518 218.2525       116.6829 89.79733 41.33314 79.88870 23.40429 9.908623       47.49936 
1 1 1 -20 23 30 o 66.52882 23.49749 141.8381       114.2880 395.4082       465.5042 125.5732       117.8965 98.67660 42.96148 64.27319 23.70678 34.40340       49.06832 
1 1 1 -20 23 31 o 106.2229 19.59309 374.2510       117.5638 423.7319       485.9374 371.1748       121.1631 98.86329 43.44640 105.3085 20.35461 -6.445259      47.97812 
1 1 1 -20 23 32 o 113.0979 18.54814 420.6299       118.7673 27.76669       467.3887 447.7486       122.7981 80.86991 38.09882 116.7457 18.55515 -35.87582      42.37704 
1 1 1 -20 23 33 o 62.48925 24.05101 116.1024       124.2699 -235.1947      505.4826 138.7003       128.2046 73.98621 36.05310 65.85544 24.63905 8.130768       43.66817 
1 1 1 -20 23 34 o 59.82475 24.00616 95.09435       128.3773 -149.1853      435.4416 118.3482       134.3487 71.55470 34.53276 63.21974 24.81630 8.334961       42.52482 
1 1 1 -20 23 35 o 66.79334 25.13328 148.8262       133.8045 493.0275       447.7414 115.0720       140.2119 95.56184 41.85824 62.92970 25.14382 32.63214       48.82954 
1 1 1 -20 23 36 o 71.74202 25.58668 186.6139       135.8065 -468.9681      495.3430 239.8974       141.2176 65.96724 32.80221 79.52020 26.16072 -13.55296      41.95674 
1 1 1 -20 23 37 o 57.28165 24.25683 68.99820       140.8606 -468.1235      462.7207 123.8573       147.8791 63.43681 31.57027 63.76064 25.70234 -0.3238297     40.70985 
1 1 1 -20 23 38 o 65.69778 25.98988 142.3451       148.3750 -150.4336      427.0589 182.5384       158.2321 68.28138 33.24302 70.81214 27.16878 -2.530762      42.93298 
1 1 1 -20 24 1  o 406.1722 12.31912 4886.883       293.1150 4442.278       356.3058 5817.714       515.5502 385.9904 15.77290 439.6323 20.04820 -53.64188      25.50911 
1 1 1 -20 24 2  o 63.83406 21.82794 114.0807       98.22913 75.32816       104.0484 431.7443       297.8990 58.29567 22.11218 116.8131 37.96971 -58.51748      43.93913 
1 1 1 -20 24 3  o 780.2121 31.27893 18955.32       1428.348 0.000000       0.000000 18955.32       1428.348 ?        ?        780.2121 31.27893 0.000000       31.27893 
1 1 1 -20 24 4  o 162.8102 13.42835 791.2080       127.0807 699.4254       143.8042 1118.403       271.5159 152.3405 16.35114 190.1993 24.94123 -37.85881      29.82322 
1 1 1 -20 24 5  o 194.8020 12.54121 1128.418       142.5181 1133.298       163.6935 1113.133       289.7176 194.7900 14.43144 188.9066 26.91036 5.883392       30.53579 
1 1 1 -20 24 6  o 168.1234 12.36713 841.4857       121.0871 871.4463       140.7029 755.9422       237.7504 170.7094 14.18179 154.9242 27.15631 15.78520       30.63639 
1 1 1 -20 24 7  o 187.1843 11.81253 1041.069       129.0157 1120.714       154.1132 854.5046       235.8712 193.8263 13.64458 165.6293 25.06500 28.19702       28.53820 
1 1 1 -20 24 8  f 256.5680 10.80978 1949.307       162.2914 2068.020       206.2508 1756.311       262.9795 263.6028 13.38502 241.1380 18.74248 22.46478       23.03127 
1 1 1 -20 24 9  o 65.61726 28.55296 -14.23779      205.3899 0.000000       0.000000 -14.23779      205.3899 ?        ?        65.61726 28.55296 0.000000       28.55296 
1 1 1 -20 24 10 o 212.8369 9.356551 1339.468       116.5066 0.000000       0.000000 1339.468       116.5066 ?        ?        212.8369 9.356551 0.000000       9.356551 
1 1 1 -20 24 11 o 160.9674 12.69302 773.6735       118.8577 0.000000       0.000000 773.6735       118.8577 ?        ?        160.9674 12.69302 0.000000       12.69302 
1 1 1 -20 24 12 o 268.6357 9.417506 2133.456       148.1419 0.000000       0.000000 2133.456       148.1419 ?        ?        268.6357 9.417506 0.000000       9.417506 
1 1 1 -20 24 13 o 431.0692 11.40904 5510.340       288.1804 0.000000       0.000000 5510.340       288.1804 ?        ?        431.0692 11.40904 0.000000       11.40904 
1 1 1 -20 24 14 o 120.4813 45.48650 441.8850       439.0831 0.000000       0.000000 441.8850       439.0831 ?        ?        120.4813 45.48650 0.000000       45.48650 
1 1 1 -20 24 15 o 52.98077 22.03270 26.25671       113.0019 0.000000       0.000000 26.25671       113.0019 ?        ?        52.98077 22.03270 0.000000       22.03270 
1 1 1 -20 24 16 o 250.0732 10.58142 1855.581       154.8384 0.000000       0.000000 1855.581       154.8384 ?        ?        250.0732 10.58142 0.000000       10.58142 
1 1 1 -20 24 17 o 210.3709 11.65408 1318.523       143.2233 0.000000       0.000000 1318.523       143.2233 ?        ?        210.3709 11.65408 0.000000       11.65408 
1 1 1 -20 24 18 o 334.1204 9.604157 3307.316       188.0018 0.000000       0.000000 3307.316       188.0018 ?        ?        334.1204 9.604157 0.000000       9.604157 
1 1 1 -20 24 19 o 134.9728 16.61402 557.9805       128.7420 0.000000       0.000000 557.9805       128.7420 ?        ?        134.9728 16.61402 0.000000       16.61402 
1 1 1 -20 24 20 o 87.05933 21.82746 243.7786       111.2267 0.000000       0.000000 243.7786       111.2267 ?        ?        87.05933 21.82746 0.000000       21.82746 
1 1 1 -20 24 21 f 183.0134 11.40469 1003.213       121.8016 0.000000       0.000000 1003.213       121.8016 ?        ?        183.0134 11.40469 0.000000       11.40469 
1 1 1 -20 24 22 o 48.69884 20.82317 8.907041       105.5677 0.000000       0.000000 8.907041       105.5677 ?        ?        48.69884 20.82317 0.000000       20.82317 
1 1 1 -20 24 23 o 140.8817 14.12647 606.9314       115.1451 0.000000       0.000000 606.9314       115.1451 ?        ?        140.8817 14.12647 0.000000       14.12647 
1 1 1 -20 24 24 o 56.65239 23.62334 43.61554       130.4163 0.000000       0.000000 43.61554       130.4163 ?        ?        56.65239 23.62334 0.000000       23.62334 
1 1 1 -20 24 25 o 96.40345 19.86267 302.4580       108.5623 0.000000       0.000000 302.4580       108.5623 ?        ?        96.40345 19.86267 0.000000       19.86267 
1 1 1 -20 24 26 o 149.7299 13.36602 686.8370       116.1382 0.000000       0.000000 686.8370       116.1382 ?        ?        149.7299 13.36602 0.000000       13.36602 
1 1 1 -20 24 27 o 95.50117 21.87254 305.5484       119.8653 0.000000       0.000000 305.5484       119.8653 ?        ?        95.50117 21.87254 0.000000       21.87254 
1 1 1 -20 24 28 o 91.23512 22.50623 283.3528       119.6669 99.30586       525.4080 293.4225       122.8970 89.78201 41.66787 92.73640 22.76709 -2.954399      47.48212 
1 1 1 -20 24 29 o 68.84787 24.00724 155.0338       119.0447 -737.2817      522.4948 203.8906       122.2603 67.08623 33.41263 76.84441 24.25920 -9.758186      41.29058 
1 1 1 -20 24 30 o 209.3520 11.37717 1334.834       139.1639 868.3135       505.8292 1373.038       144.7498 123.4744 48.24586 212.1228 11.68045 -88.64840      49.63966 
1 1 1 -20 24 31 o 133.9320 16.64616 575.3494       127.9387 613.1942       511.3990 572.8227       132.1407 106.2219 45.63310 133.1723 17.32954 -26.95038      48.81283 
1 1 1 -20 24 32 o 62.84954 24.04019 118.8259       123.6350 975.2813       485.6548 59.47435       127.8472 127.0541 47.86653 55.96479 23.36706 71.08929       53.26560 
1 1 1 -20 24 33 o 81.76022 24.72625 244.0214       128.6210 -170.0465      509.3228 272.2265       132.9295 74.93060 36.44025 86.14725 24.90706 -11.21666      44.13902 
1 1 1 -20 24 34 o 222.0817 11.73472 1519.996       152.2972 983.3649       506.1614 1573.414       159.6976 120.3528 47.87692 225.6021 12.11436 -105.2493      49.38580 
1 1 1 -20 24 35 f 95.87108 24.70919 340.8231       139.8041 -1.713870      487.0155 371.5848       145.9467 76.57354 36.84515 100.0277 24.96029 -23.45415      44.50372 
1 1 1 -20 24 36 o 55.30801 23.77291 50.92866       138.9300 890.1760       478.5342 -26.32107      145.1832 112.6616 45.93419 49.58141 22.60093 63.08020       51.19328 
1 1 1 -20 24 37 o 79.37103 26.38266 243.9446       143.5112 -86.17635      441.9672 282.8539       151.7330 70.89341 34.35260 84.66129 27.06100 -13.76788      43.73098 
1 1 1 -20 25 1  o 156.2161 13.72305 730.3029       124.4501 705.7409       133.5180 892.9257       343.5570 153.2330 15.05121 164.2974 36.59347 -11.06441      39.56793 
1 1 1 -20 25 2  o 160.3388 13.65300 768.9669       127.1658 698.1859       137.3415 1194.229       336.6447 152.2601 15.60066 193.6523 30.66137 -41.39221      34.40204 
1 1 1 -20 25 3  o 312.7061 36.71588 3168.987       660.5379 0.000000       0.000000 3168.987       660.5379 ?        ?        312.7061 36.71588 0.000000       36.71588 
1 1 1 -20 25 4  o 244.3119 10.79008 1768.154       154.2223 1725.759       184.0723 1868.008       282.4983 240.7874 13.08395 248.3280 19.55490 -7.540695      23.52837 
1 1 1 -20 25 5  o 135.8765 32.19546 602.5748       252.6039 0.000000       0.000000 602.5748       252.6039 ?        ?        135.8765 32.19546 0.000000       32.19546 
1 1 1 -20 25 6  o 154.8535 12.23936 715.1692       110.2520 0.000000       0.000000 715.1692       110.2520 ?        ?        154.8535 12.23936 0.000000       12.23936 
1 1 1 -20 25 7  f 156.3737 11.57729 728.0524       105.4216 0.000000       0.000000 728.0524       105.4216 ?        ?        156.3737 11.57729 0.000000       11.57729 
1 1 1 -20 25 8  o 186.3441 10.56322 1030.120       114.9689 0.000000       0.000000 1030.120       114.9689 ?        ?        186.3441 10.56322 0.000000       10.56322 
1 1 1 -20 25 9  o 199.1229 10.23181 1175.213       119.0873 0.000000       0.000000 1175.213       119.0873 ?        ?        199.1229 10.23181 0.000000       10.23181 
1 1 1 -20 25 10 o 175.9796 11.41974 921.3511       117.2243 0.000000       0.000000 921.3511       117.2243 ?        ?        175.9796 11.41974 0.000000       11.41974 
1 1 1 -20 25 11 o 229.0587 9.769927 1553.404       130.9454 0.000000       0.000000 1553.404       130.9454 ?        ?        229.0587 9.769927 0.000000       9.769927 
1 1 1 -20 25 12 o 242.7502 9.868105 1745.012       140.1967 0.000000       0.000000 1745.012       140.1967 ?        ?        242.7502 9.868105 0.000000       9.868105 
1 1 1 -20 25 13 o 92.96577 41.35995 -27.72495      453.6535 0.000000       0.000000 -27.72495      453.6535 ?        ?        92.96577 41.35995 0.000000       41.35995 
1 1 1 -20 25 14 o 382.5335 11.11187 4342.509       249.0271 0.000000       0.000000 4342.509       249.0271 ?        ?        382.5335 11.11187 0.000000       11.11187 
1 1 1 -20 25 15 o 69.37245 24.21799 136.7592       121.1636 0.000000       0.000000 136.7592       121.1636 ?        ?        69.37245 24.21799 0.000000       24.21799 
1 1 1 -20 25 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 25 17 o 146.3091 15.78457 651.4579       133.3013 0.000000       0.000000 651.4579       133.3013 ?        ?        146.3091 15.78457 0.000000       15.78457 
1 1 1 -20 25 18 o 171.0521 12.80587 878.9606       127.5335 0.000000       0.000000 878.9606       127.5335 ?        ?        171.0521 12.80587 0.000000       12.80587 
1 1 1 -20 25 19 o 28.49453 14.34311 -329.1013      109.0541 0.000000       0.000000 -329.1013      109.0541 ?        ?        28.49453 14.34311 0.000000       14.34311 
1 1 1 -20 25 20 o 118.5907 16.96811 436.9500       114.6549 0.000000       0.000000 436.9500       114.6549 ?        ?        118.5907 16.96811 0.000000       16.96811 
1 1 1 -20 25 21 o 75.04712 23.02546 181.5978       111.0013 0.000000       0.000000 181.5978       111.0013 ?        ?        75.04712 23.02546 0.000000       23.02546 
1 1 1 -20 25 22 o 199.1368 11.24761 1191.984       130.8258 0.000000       0.000000 1191.984       130.8258 ?        ?        199.1368 11.24761 0.000000       11.24761 
1 1 1 -20 25 23 o 71.50265 23.53988 163.6443       114.3323 0.000000       0.000000 163.6443       114.3323 ?        ?        71.50265 23.53988 0.000000       23.53988 
1 1 1 -20 25 24 o 130.8179 15.60896 532.5175       117.3946 0.000000       0.000000 532.5175       117.3946 ?        ?        130.8179 15.60896 0.000000       15.60896 
1 1 1 -20 25 25 o 213.6901 10.31831 1372.180       128.9312 0.000000       0.000000 1372.180       128.9312 ?        ?        213.6901 10.31831 0.000000       10.31831 
1 1 1 -20 25 26 o 113.1548 18.51032 412.3398       118.5961 0.000000       0.000000 412.3398       118.5961 ?        ?        113.1548 18.51032 0.000000       18.51032 
1 1 1 -20 25 27 o 86.32895 22.70347 254.6668       116.4582 0.000000       0.000000 254.6668       116.4582 ?        ?        86.32895 22.70347 0.000000       22.70347 
1 1 1 -20 25 28 o 159.2204 13.55283 784.2370       125.3532 0.000000       0.000000 784.2370       125.3532 ?        ?        159.2204 13.55283 0.000000       13.55283 
1 1 1 -20 25 29 o 40.78267 19.16803 -94.61611      117.0784 0.000000       0.000000 -94.61611      117.0784 ?        ?        40.78267 19.16803 0.000000       19.16803 
1 1 1 -20 25 30 o 53.08333 22.66073 34.14820       124.6536 159.1134       529.9036 26.82792       128.2527 87.67535 41.07109 52.87972 22.78634 34.79564       46.96862 
1 1 1 -20 25 31 o 66.93600 24.77419 145.6721       128.9458 829.5181       530.0839 102.6617       132.9390 114.6068 47.69496 61.58278 24.52368 53.02399       53.63040 
1 1 1 -20 25 32 o 183.5368 13.09424 1048.272       140.0206 321.3158       501.0077 1109.863       145.8316 89.88138 41.34809 188.7368 13.25918 -98.85544      43.42200 
1 1 1 -20 25 33 o 151.7713 15.91010 741.1330       139.5139 939.9534       554.0870 727.6749       144.1584 114.0970 48.20272 149.7175 16.70200 -35.62054      51.01430 
1 1 1 -20 25 34 o 69.14527 25.13498 167.6133       131.7894 -31.46841      519.7780 181.2910       136.2414 77.12582 37.34435 71.16964 25.59871 5.956177       45.27576 
1 1 1 -20 25 35 o 63.57081 25.28843 125.0916       141.2129 -108.5236      508.5908 144.6060       146.9925 73.60673 35.93298 66.22820 25.96958 7.378532       44.33506 
1 1 1 -20 25 36 o 118.3357 21.64774 494.1624       144.7030 558.6890       447.7572 486.6372       152.9081 95.35199 41.81007 115.8602 23.31148 -20.50822      47.86969 
1 1 1 -20 25 37 o 62.67559 25.43045 119.7058       145.8345 69.43736       461.4913 125.2825       153.7112 75.18410 36.09629 63.78795 26.02368 11.39614       44.49915 
1 1 1 -20 26 1  o 169.1789 31.87932 927.2268       304.7053 1097.119       600.0654 868.2010       353.6986 172.3387 53.64982 160.6084 38.12442 11.73032       65.81622 
1 1 1 -20 26 2  o 115.3818 16.39966 405.8109       107.8527 0.000000       0.000000 405.8109       107.8527 ?        ?        115.3818 16.39966 0.000000       16.39966 
1 1 1 -20 26 3  o 399.7028 32.28820 5085.332       750.4509 0.000000       0.000000 5085.332       750.4509 ?        ?        399.7028 32.28820 0.000000       32.28820 
1 1 1 -20 26 4  o 203.8323 10.35593 1231.580       123.3920 0.000000       0.000000 1231.580       123.3920 ?        ?        203.8323 10.35593 0.000000       10.35593 
1 1 1 -20 26 5  o 234.7443 9.741325 1630.694       133.8193 0.000000       0.000000 1630.694       133.8193 ?        ?        234.7443 9.741325 0.000000       9.741325 
1 1 1 -20 26 6  o 191.5720 10.88404 1089.759       121.7817 0.000000       0.000000 1089.759       121.7817 ?        ?        191.5720 10.88404 0.000000       10.88404 
1 1 1 -20 26 7  o 44.83354 19.89647 -31.46753      104.3241 0.000000       0.000000 -31.46753      104.3241 ?        ?        44.83354 19.89647 0.000000       19.89647 
1 1 1 -20 26 8  o 157.1302 13.03291 738.9679       119.0229 0.000000       0.000000 738.9679       119.0229 ?        ?        157.1302 13.03291 0.000000       13.03291 
1 1 1 -20 26 9  o 211.1708 10.70766 1323.564       132.1780 0.000000       0.000000 1323.564       132.1780 ?        ?        211.1708 10.70766 0.000000       10.70766 
1 1 1 -20 26 10 f 224.2675 10.69239 1492.698       140.2294 0.000000       0.000000 1492.698       140.2294 ?        ?        224.2675 10.69239 0.000000       10.69239 
1 1 1 -20 26 11 o 141.1111 14.91077 601.6094       121.5350 0.000000       0.000000 601.6094       121.5350 ?        ?        141.1111 14.91077 0.000000       14.91077 
1 1 1 -20 26 12 o 265.3936 10.46033 2089.407       162.4930 0.000000       0.000000 2089.407       162.4930 ?        ?        265.3936 10.46033 0.000000       10.46033 
1 1 1 -20 26 13 o 201.5849 13.05421 1216.114       153.5032 0.000000       0.000000 1216.114       153.5032 ?        ?        201.5849 13.05421 0.000000       13.05421 
1 1 1 -20 26 14 o 290.5255 16.55383 2551.937       280.8873 0.000000       0.000000 2551.937       280.8873 ?        ?        290.5255 16.55383 0.000000       16.55383 
1 1 1 -20 26 15 o 281.5996 11.54557 2362.735       190.2725 0.000000       0.000000 2362.735       190.2725 ?        ?        281.5996 11.54557 0.000000       11.54557 
1 1 1 -20 26 16 o 137.1527 16.40821 575.9902       129.3666 0.000000       0.000000 575.9902       129.3666 ?        ?        137.1527 16.40821 0.000000       16.40821 
1 1 1 -20 26 17 o 132.7138 15.67222 539.1447       119.6321 0.000000       0.000000 539.1447       119.6321 ?        ?        132.7138 15.67222 0.000000       15.67222 
1 1 1 -20 26 18 o 176.0700 41.55830 1158.161       422.1883 0.000000       0.000000 1158.161       422.1883 ?        ?        176.0700 41.55830 0.000000       41.55830 
1 1 1 -20 26 19 o 69.84136 23.44994 150.2001       113.3351 0.000000       0.000000 150.2001       113.3351 ?        ?        69.84136 23.44994 0.000000       23.44994 
1 1 1 -20 26 20 o 107.4752 18.81614 367.2846       114.2825 0.000000       0.000000 367.2846       114.2825 ?        ?        107.4752 18.81614 0.000000       18.81614 
1 1 1 -20 26 21 o 91.26600 21.65217 274.1597       114.1360 0.000000       0.000000 274.1597       114.1360 ?        ?        91.26600 21.65217 0.000000       21.65217 
1 1 1 -20 26 22 o 72.84547 23.45751 172.1995       113.8616 0.000000       0.000000 172.1995       113.8616 ?        ?        72.84547 23.45751 0.000000       23.45751 
1 1 1 -20 26 23 o 147.7340 13.58491 669.0313       116.3862 0.000000       0.000000 669.0313       116.3862 ?        ?        147.7340 13.58491 0.000000       13.58491 
1 1 1 -20 26 24 o 153.6891 12.55991 720.3054       112.2224 0.000000       0.000000 720.3054       112.2224 ?        ?        153.6891 12.55991 0.000000       12.55991 
1 1 1 -20 26 25 o 164.4842 12.34329 825.2067       118.2024 0.000000       0.000000 825.2067       118.2024 ?        ?        164.4842 12.34329 0.000000       12.34329 
1 1 1 -20 26 26 o 47.89886 22.13501 -76.96395      145.9217 0.000000       0.000000 -76.96395      145.9217 ?        ?        47.89886 22.13501 0.000000       22.13501 
1 1 1 -20 26 27 o 118.2880 17.79658 452.0504       119.6388 0.000000       0.000000 452.0504       119.6388 ?        ?        118.2880 17.79658 0.000000       17.79658 
1 1 1 -20 26 28 o 96.28994 21.65920 316.5709       119.3418 0.000000       0.000000 316.5709       119.3418 ?        ?        96.28994 21.65920 0.000000       21.65920 
1 1 1 -20 26 29 o 63.80590 24.14218 123.0479       123.8468 0.000000       0.000000 123.0479       123.8468 ?        ?        63.80590 24.14218 0.000000       24.14218 
1 1 1 -20 26 30 o 105.1822 22.98710 388.1040       137.8307 0.000000       0.000000 388.1040       137.8307 ?        ?        105.1822 22.98710 0.000000       22.98710 
1 1 1 -20 26 31 o 135.9951 18.10572 607.9389       140.8229 0.000000       0.000000 607.9389       140.8229 ?        ?        135.9951 18.10572 0.000000       18.10572 
1 1 1 -20 26 32 o 51.36240 22.64381 11.42501       132.9797 982.4446       512.8168 -58.57618      137.6896 119.9630 48.03396 46.51879 21.49879 73.44424       52.62565 
1 1 1 -20 26 33 o 245.2354 11.01068 1844.092       157.9571 1941.047       584.4741 1836.453       164.0620 173.6414 52.75008 244.2588 11.48485 -70.61743      53.98586 
1 1 1 -20 26 34 f 43.11003 20.47643 -113.3421      140.3126 -184.3453      480.6023 -106.7262      146.7041 70.74853 34.62141 44.58282 21.10606 26.16570       40.54760 
1 1 1 -20 26 35 o 69.06222 26.11572 169.7019       144.8732 -229.9700      456.5295 214.4565       152.7693 68.02937 33.38400 74.98841 27.08943 -6.959045      42.99219 
1 1 1 -20 26 36 o 68.35326 26.21417 166.4937       147.2654 229.8489       442.0085 158.5828       156.1891 80.18169 37.54453 67.69666 26.70139 12.48504       46.07121 
1 1 1 -20 27 1  o 63.94689 23.42998 104.4671       114.8481 0.000000       0.000000 104.4671       114.8481 ?        ?        63.94689 23.42998 0.000000       23.42998 
1 1 1 -20 27 2  o 295.1098 9.181104 2574.033       158.7086 2641.182       557.2994 2568.107       165.5642 285.3954 33.96126 294.6634 9.593320 -9.268066      35.29021 
1 1 1 -20 27 3  o 299.9075 9.553308 2660.188       167.8175 0.000000       0.000000 2660.188       167.8175 ?        ?        299.9075 9.553308 0.000000       9.553308 
1 1 1 -20 27 4  o 44.73400 19.92495 -35.28841      105.5958 0.000000       0.000000 -35.28841      105.5958 ?        ?        44.73400 19.92495 0.000000       19.92495 
1 1 1 -20 27 5  o 61.76428 22.56248 97.79058       106.3798 0.000000       0.000000 97.79058       106.3798 ?        ?        61.76428 22.56248 0.000000       22.56248 
1 1 1 -20 27 6  f 52.12125 20.81634 45.14457       96.06018 0.000000       0.000000 45.14457       96.06018 ?        ?        52.12125 20.81634 0.000000       20.81634 
1 1 1 -20 27 7  o 189.1375 11.50532 1064.979       127.0188 0.000000       0.000000 1064.979       127.0188 ?        ?        189.1375 11.50532 0.000000       11.50532 
1 1 1 -20 27 8  o 45.21516 20.29548 -45.07202      111.8405 0.000000       0.000000 -45.07202      111.8405 ?        ?        45.21516 20.29548 0.000000       20.29548 
1 1 1 -20 27 9  o 73.20174 23.93861 161.6626       118.3206 0.000000       0.000000 161.6626       118.3206 ?        ?        73.20174 23.93861 0.000000       23.93861 
1 1 1 -20 27 10 o 185.0240 11.70234 1021.044       126.3341 0.000000       0.000000 1021.044       126.3341 ?        ?        185.0240 11.70234 0.000000       11.70234 
1 1 1 -20 27 11 o 160.6798 12.92021 774.4858       120.7279 0.000000       0.000000 774.4858       120.7279 ?        ?        160.6798 12.92021 0.000000       12.92021 
1 1 1 -20 27 12 o 179.2872 12.30545 961.8769       128.6044 0.000000       0.000000 961.8769       128.6044 ?        ?        179.2872 12.30545 0.000000       12.30545 
1 1 1 -20 27 13 o 41.98236 19.82439 -133.2502      127.8925 0.000000       0.000000 -133.2502      127.8925 ?        ?        41.98236 19.82439 0.000000       19.82439 
1 1 1 -20 27 14 o 167.0737 13.23976 840.3105       128.6696 0.000000       0.000000 840.3105       128.6696 ?        ?        167.0737 13.23976 0.000000       13.23976 
1 1 1 -20 27 15 o 135.7946 15.24234 563.0777       119.2974 0.000000       0.000000 563.0777       119.2974 ?        ?        135.7946 15.24234 0.000000       15.24234 
1 1 1 -20 27 16 o 162.9821 13.10824 802.3132       124.2395 0.000000       0.000000 802.3132       124.2395 ?        ?        162.9821 13.10824 0.000000       13.10824 
1 1 1 -20 27 17 o 140.7689 14.65881 605.6359       119.2489 0.000000       0.000000 605.6359       119.2489 ?        ?        140.7689 14.65881 0.000000       14.65881 
1 1 1 -20 27 18 o 65.54716 23.18208 126.1424       111.2706 0.000000       0.000000 126.1424       111.2706 ?        ?        65.54716 23.18208 0.000000       23.18208 
1 1 1 -20 27 19 o 132.5021 15.48099 542.7681       118.0372 0.000000       0.000000 542.7681       118.0372 ?        ?        132.5021 15.48099 0.000000       15.48099 
1 1 1 -20 27 20 o 148.2627 20.99609 707.6211       177.4649 0.000000       0.000000 707.6211       177.4649 ?        ?        148.2627 20.99609 0.000000       20.99609 
1 1 1 -20 27 21 o 119.1749 17.99005 450.9624       121.8261 0.000000       0.000000 450.9624       121.8261 ?        ?        119.1749 17.99005 0.000000       17.99005 
1 1 1 -20 27 22 o 90.24206 22.01498 272.1215       115.4616 0.000000       0.000000 272.1215       115.4616 ?        ?        90.24206 22.01498 0.000000       22.01498 
1 1 1 -20 27 23 o 96.31586 21.00045 307.5379       115.2730 0.000000       0.000000 307.5379       115.2730 ?        ?        96.31586 21.00045 0.000000       21.00045 
1 1 1 -20 27 24 o 80.24476 23.17215 219.2549       115.1212 0.000000       0.000000 219.2549       115.1212 ?        ?        80.24476 23.17215 0.000000       23.17215 
1 1 1 -20 27 25 o 140.3124 18.88048 637.3437       151.4279 0.000000       0.000000 637.3437       151.4279 ?        ?        140.3124 18.88048 0.000000       18.88048 
1 1 1 -20 27 26 o 309.1301 9.030713 2866.019       163.5491 0.000000       0.000000 2866.019       163.5491 ?        ?        309.1301 9.030713 0.000000       9.030713 
1 1 1 -20 27 27 o 88.23536 22.53444 269.9294       117.0096 0.000000       0.000000 269.9294       117.0096 ?        ?        88.23536 22.53444 0.000000       22.53444 
1 1 1 -20 27 28 o 66.97025 24.39719 145.2221       124.2602 0.000000       0.000000 145.2221       124.2602 ?        ?        66.97025 24.39719 0.000000       24.39719 
1 1 1 -20 27 29 o 123.0188 19.79068 506.3338       137.9426 0.000000       0.000000 506.3338       137.9426 ?        ?        123.0188 19.79068 0.000000       19.79068 
1 1 1 -20 27 30 o 43.82726 20.62878 -98.47794      136.4695 0.000000       0.000000 -98.47794      136.4695 ?        ?        43.82726 20.62878 0.000000       20.62878 
1 1 1 -20 27 31 o 121.7521 20.61110 506.8500       141.9272 0.000000       0.000000 506.8500       141.9272 ?        ?        121.7521 20.61110 0.000000       20.61110 
1 1 1 -20 27 32 o 188.5769 14.43127 1126.240       158.3914 0.000000       0.000000 1126.240       158.3914 ?        ?        188.5769 14.43127 0.000000       14.43127 
1 1 1 -20 27 33 o 55.20682 24.07750 38.77280       146.7541 0.000000       0.000000 38.77280       146.7541 ?        ?        55.20682 24.07750 0.000000       24.07750 
1 1 1 -20 27 34 o 75.84506 27.00520 220.4734       151.2216 32.33642       431.4026 246.8291       161.4668 74.10921 35.39687 79.15112 27.93180 -5.041901      45.09017 
1 1 1 -20 27 35 o 53.36823 23.62435 23.20021       146.1674 657.4122       444.4431 -53.71576      154.7773 99.57478 42.65483 48.82343 22.64399 50.75134       48.29270 
1 1 1 -20 28 1  f 86.29887 23.18059 237.0333       119.8004 355.8109       522.9139 230.4536       123.0739 117.6184 47.99363 85.14779 23.75181 32.47059       53.54939 
1 1 1 -20 28 2  o 203.8389 12.77731 1241.351       151.9801 0.000000       0.000000 1241.351       151.9801 ?        ?        203.8389 12.77731 0.000000       12.77731 
1 1 1 -20 28 3  o 214.4793 24.33422 1437.980       300.6895 1182.378       531.3304 1558.408       364.7102 178.1522 49.22167 220.7193 28.86559 -42.56706      57.06133 
1 1 1 -20 28 4  o 219.3772 11.12147 1431.219       142.6214 0.000000       0.000000 1431.219       142.6214 ?        ?        219.3772 11.12147 0.000000       11.12147 
1 1 1 -20 28 5  f 128.8054 15.62371 504.5837       115.6134 0.000000       0.000000 504.5837       115.6134 ?        ?        128.8054 15.62371 0.000000       15.62371 
1 1 1 -20 28 6  o 182.7551 11.10533 994.7181       118.4669 0.000000       0.000000 994.7181       118.4669 ?        ?        182.7551 11.10533 0.000000       11.10533 
1 1 1 -20 28 7  o 148.2014 14.31995 662.9877       122.9157 0.000000       0.000000 662.9877       122.9157 ?        ?        148.2014 14.31995 0.000000       14.31995 
1 1 1 -20 28 8  o 279.2452 9.801832 2312.035       160.2764 0.000000       0.000000 2312.035       160.2764 ?        ?        279.2452 9.801832 0.000000       9.801832 
1 1 1 -20 28 9  o 132.9602 15.30228 537.7715       117.1509 0.000000       0.000000 537.7715       117.1509 ?        ?        132.9602 15.30228 0.000000       15.30228 
1 1 1 -20 28 10 o 190.5452 12.13918 1086.228       134.9502 0.000000       0.000000 1086.228       134.9502 ?        ?        190.5452 12.13918 0.000000       12.13918 
1 1 1 -20 28 11 o 61.68427 23.40066 91.43985       116.5369 0.000000       0.000000 91.43985       116.5369 ?        ?        61.68427 23.40066 0.000000       23.40066 
1 1 1 -20 28 12 f 75.85795 23.04103 182.4588       111.5183 0.000000       0.000000 182.4588       111.5183 ?        ?        75.85795 23.04103 0.000000       23.04103 
1 1 1 -20 28 13 o 66.44721 24.39935 119.7730       124.6552 0.000000       0.000000 119.7730       124.6552 ?        ?        66.44721 24.39935 0.000000       24.39935 
1 1 1 -20 28 14 o 143.5936 14.04013 627.0291       116.7288 0.000000       0.000000 627.0291       116.7288 ?        ?        143.5936 14.04013 0.000000       14.04013 
1 1 1 -20 28 15 o 100.9982 20.13792 327.0048       115.0964 0.000000       0.000000 327.0048       115.0964 ?        ?        100.9982 20.13792 0.000000       20.13792 
1 1 1 -20 28 16 o 97.52435 22.04130 311.2725       123.0908 0.000000       0.000000 311.2725       123.0908 ?        ?        97.52435 22.04130 0.000000       22.04130 
1 1 1 -20 28 17 f 127.9436 16.93727 511.3267       123.9715 0.000000       0.000000 511.3267       123.9715 ?        ?        127.9436 16.93727 0.000000       16.93727 
1 1 1 -20 28 18 o 205.3732 10.85337 1266.990       130.2610 0.000000       0.000000 1266.990       130.2610 ?        ?        205.3732 10.85337 0.000000       10.85337 
1 1 1 -20 28 19 f 48.82156 21.21368 0.6261875      113.0307 0.000000       0.000000 0.6261875      113.0307 ?        ?        48.82156 21.21368 0.000000       21.21368 
1 1 1 -20 28 20 f 37.32816 17.75467 -117.5148      106.2203 0.000000       0.000000 -117.5148      106.2203 ?        ?        37.32816 17.75467 0.000000       17.75467 
1 1 1 -20 28 21 o 138.9748 14.60195 597.6630       117.2382 0.000000       0.000000 597.6630       117.2382 ?        ?        138.9748 14.60195 0.000000       14.60195 
1 1 1 -20 28 22 o 69.32090 23.05864 156.1216       109.6222 0.000000       0.000000 156.1216       109.6222 ?        ?        69.32090 23.05864 0.000000       23.05864 
1 1 1 -20 28 23 o 61.94820 24.72772 92.46218       135.4778 0.000000       0.000000 92.46218       135.4778 ?        ?        61.94820 24.72772 0.000000       24.72772 
1 1 1 -20 28 24 o 47.12944 20.84798 -10.29143      113.6363 0.000000       0.000000 -10.29143      113.6363 ?        ?        47.12944 20.84798 0.000000       20.84798 
1 1 1 -20 28 25 o 98.44948 21.18057 327.8905       118.6627 0.000000       0.000000 327.8905       118.6627 ?        ?        98.44948 21.18057 0.000000       21.18057 
1 1 1 -20 28 26 o 91.43652 22.33774 289.3793       118.7454 0.000000       0.000000 289.3793       118.7454 ?        ?        91.43652 22.33774 0.000000       22.33774 
1 1 1 -20 28 27 o 78.59518 24.64115 219.7899       126.3507 0.000000       0.000000 219.7899       126.3507 ?        ?        78.59518 24.64115 0.000000       24.64115 
1 1 1 -20 28 28 o 205.2396 12.14926 1297.244       145.5842 0.000000       0.000000 1297.244       145.5842 ?        ?        205.2396 12.14926 0.000000       12.14926 
1 1 1 -20 28 29 o 120.0873 20.86263 492.5204       141.6031 0.000000       0.000000 492.5204       141.6031 ?        ?        120.0873 20.86263 0.000000       20.86263 
1 1 1 -20 28 30 o 52.46499 23.05335 17.51377       136.7782 0.000000       0.000000 17.51377       136.7782 ?        ?        52.46499 23.05335 0.000000       23.05335 
1 1 1 -20 28 31 o 65.52055 25.68242 136.1852       143.7139 0.000000       0.000000 136.1852       143.7139 ?        ?        65.52055 25.68242 0.000000       25.68242 
1 1 1 -20 28 32 o 69.18695 26.76496 166.1891       154.4659 0.000000       0.000000 166.1891       154.4659 ?        ?        69.18695 26.76496 0.000000       26.76496 
1 1 1 -20 28 33 o 56.46555 24.95918 33.93360       162.5792 0.000000       0.000000 33.93360       162.5792 ?        ?        56.46555 24.95918 0.000000       24.95918 
1 1 1 -20 28 34 o 44.47027 21.27358 -134.8125      157.1309 0.000000       0.000000 -134.8125      157.1309 ?        ?        44.47027 21.27358 0.000000       21.27358 
1 1 1 -20 29 1  o 160.8573 13.87935 779.5691       129.6570 351.5405       537.6504 805.9984       133.6000 116.1606 48.16143 163.5211 14.06759 -47.36057      50.17390 
1 1 1 -20 29 2  o 391.6607 26.59786 4853.283       607.3276 4853.283       607.3276 0.000000       0.000000 391.6607 26.59786 ?        ?        0.000000       26.59786 
1 1 1 -20 29 3  o 251.5725 25.20691 1997.621       366.9016 0.000000       0.000000 1997.621       366.9016 ?        ?        251.5725 25.20691 0.000000       25.20691 
1 1 1 -20 29 4  o 51.92599 22.15968 8.731869       119.1350 0.000000       0.000000 8.731869       119.1350 ?        ?        51.92599 22.15968 0.000000       22.15968 
1 1 1 -20 29 5  o 285.5431 9.546378 2417.628       159.6430 0.000000       0.000000 2417.628       159.6430 ?        ?        285.5431 9.546378 0.000000       9.546378 
1 1 1 -20 29 6  o 106.8367 33.09634 383.2770       228.6735 0.000000       0.000000 383.2770       228.6735 ?        ?        106.8367 33.09634 0.000000       33.09634 
1 1 1 -20 29 7  o 229.6048 10.52563 1569.163       141.3587 0.000000       0.000000 1569.163       141.3587 ?        ?        229.6048 10.52563 0.000000       10.52563 
1 1 1 -20 29 8  o 38.94200 18.22246 -94.23046      103.8412 0.000000       0.000000 -94.23046      103.8412 ?        ?        38.94200 18.22246 0.000000       18.22246 
1 1 1 -20 29 9  o 138.6136 15.31097 586.6518       122.3966 0.000000       0.000000 586.6518       122.3966 ?        ?        138.6136 15.31097 0.000000       15.31097 
1 1 1 -20 29 10 o 55.87080 22.22483 59.69742       109.0680 0.000000       0.000000 59.69742       109.0680 ?        ?        55.87080 22.22483 0.000000       22.22483 
1 1 1 -20 29 11 o 106.5718 18.79378 358.4704       113.1732 0.000000       0.000000 358.4704       113.1732 ?        ?        106.5718 18.79378 0.000000       18.79378 
1 1 1 -20 29 12 o 53.45687 22.34442 30.79033       117.0927 0.000000       0.000000 30.79033       117.0927 ?        ?        53.45687 22.34442 0.000000       22.34442 
1 1 1 -20 29 13 o 129.4202 17.42075 522.5266       128.8719 0.000000       0.000000 522.5266       128.8719 ?        ?        129.4202 17.42075 0.000000       17.42075 
1 1 1 -20 29 14 o 91.43086 21.57043 273.6044       113.7820 0.000000       0.000000 273.6044       113.7820 ?        ?        91.43086 21.57043 0.000000       21.57043 
1 1 1 -20 29 15 o 118.3858 17.15828 439.7217       115.6623 0.000000       0.000000 439.7217       115.6623 ?        ?        118.3858 17.15828 0.000000       17.15828 
1 1 1 -20 29 16 o 74.36411 23.03340 180.5600       110.7620 0.000000       0.000000 180.5600       110.7620 ?        ?        74.36411 23.03340 0.000000       23.03340 
1 1 1 -20 29 17 o 151.9756 13.80119 707.4022       121.6701 0.000000       0.000000 707.4022       121.6701 ?        ?        151.9756 13.80119 0.000000       13.80119 
1 1 1 -20 29 18 o 83.06786 23.17055 231.8334       117.1266 0.000000       0.000000 231.8334       117.1266 ?        ?        83.06786 23.17055 0.000000       23.17055 
1 1 1 -20 29 19 o 164.4285 13.08272 825.9958       125.1217 0.000000       0.000000 825.9958       125.1217 ?        ?        164.4285 13.08272 0.000000       13.08272 
1 1 1 -20 29 20 o 56.33081 22.87104 62.10347       118.0467 0.000000       0.000000 62.10347       118.0467 ?        ?        56.33081 22.87104 0.000000       22.87104 
1 1 1 -20 29 21 o 114.4854 16.89718 417.0014       110.0469 0.000000       0.000000 417.0014       110.0469 ?        ?        114.4854 16.89718 0.000000       16.89718 
1 1 1 -20 29 22 o 54.61526 22.27437 58.21059       112.5669 0.000000       0.000000 58.21059       112.5669 ?        ?        54.61526 22.27437 0.000000       22.27437 
1 1 1 -20 29 23 o 118.2003 17.37044 449.4543       116.8256 0.000000       0.000000 449.4543       116.8256 ?        ?        118.2003 17.37044 0.000000       17.37044 
1 1 1 -20 29 24 o 72.12862 23.91712 177.0910       117.9591 0.000000       0.000000 177.0910       117.9591 ?        ?        72.12862 23.91712 0.000000       23.91712 
1 1 1 -20 29 25 o 56.13329 27.44375 -354.4766      299.9031 0.000000       0.000000 -354.4766      299.9031 ?        ?        56.13329 27.44375 0.000000       27.44375 
1 1 1 -20 29 26 o 120.6775 18.94910 481.5303       129.6974 0.000000       0.000000 481.5303       129.6974 ?        ?        120.6775 18.94910 0.000000       18.94910 
1 1 1 -20 29 27 o 52.59551 22.60168 32.00341       125.5217 0.000000       0.000000 32.00341       125.5217 ?        ?        52.59551 22.60168 0.000000       22.60168 
1 1 1 -20 29 28 o 70.74870 25.73581 174.2700       138.1987 0.000000       0.000000 174.2700       138.1987 ?        ?        70.74870 25.73581 0.000000       25.73581 
1 1 1 -20 29 29 o 84.52200 25.10264 265.4191       133.4716 0.000000       0.000000 265.4191       133.4716 ?        ?        84.52200 25.10264 0.000000       25.10264 
1 1 1 -20 29 30 o 56.24636 23.94597 57.27114       138.5299 0.000000       0.000000 57.27114       138.5299 ?        ?        56.24636 23.94597 0.000000       23.94597 
1 1 1 -20 29 31 o 60.91651 25.36092 94.84730       149.9587 0.000000       0.000000 94.84730       149.9587 ?        ?        60.91651 25.36092 0.000000       25.36092 
1 1 1 -20 29 32 o 48.59212 22.67420 -70.15709      158.9286 0.000000       0.000000 -70.15709      158.9286 ?        ?        48.59212 22.67420 0.000000       22.67420 
1 1 1 -20 29 33 o 76.63257 28.12338 231.4400       165.5734 0.000000       0.000000 231.4400       165.5734 ?        ?        76.63257 28.12338 0.000000       28.12338 
1 1 1 -20 30 1  o 87.37222 24.24027 248.5527       128.5674 -148.2702      489.6440 277.9374       133.2426 87.64974 40.51968 92.23136 24.29819 -4.581619      47.24665 
1 1 1 -20 30 2  o 158.0195 29.46616 832.3604       263.0337 153.3909       469.8279 1142.325       317.4461 99.30444 43.19859 185.1137 30.28662 -85.80926      52.75791 
1 1 1 -20 30 3  o 214.8224 11.14068 1378.730       139.8800 1125.931       496.3788 1400.537       145.7883 168.3537 47.96029 216.3776 11.53004 -48.02385      49.32678 
1 1 1 -20 30 4  o 269.0445 36.50062 2518.689       561.0964 0.000000       0.000000 2518.689       561.0964 ?        ?        269.0445 36.50062 0.000000       36.50062 
1 1 1 -20 30 5  o 229.5103 10.90837 1572.969       146.4090 0.000000       0.000000 1572.969       146.4090 ?        ?        229.5103 10.90837 0.000000       10.90837 
1 1 1 -20 30 6  o 69.83205 22.80253 150.8967       107.3755 0.000000       0.000000 150.8967       107.3755 ?        ?        69.83205 22.80253 0.000000       22.80253 
1 1 1 -20 30 7  o 107.6245 19.70430 367.9181       119.7901 0.000000       0.000000 367.9181       119.7901 ?        ?        107.6245 19.70430 0.000000       19.70430 
1 1 1 -20 30 8  o 124.0876 17.09762 478.5693       121.1233 0.000000       0.000000 478.5693       121.1233 ?        ?        124.0876 17.09762 0.000000       17.09762 
1 1 1 -20 30 9  o 53.26238 22.36978 27.88192       118.2171 0.000000       0.000000 27.88192       118.2171 ?        ?        53.26238 22.36978 0.000000       22.36978 
1 1 1 -20 30 10 o 65.92832 23.58292 125.8519       115.4548 0.000000       0.000000 125.8519       115.4548 ?        ?        65.92832 23.58292 0.000000       23.58292 
1 1 1 -20 30 11 o 164.6712 12.59476 820.6707       120.7119 0.000000       0.000000 820.6707       120.7119 ?        ?        164.6712 12.59476 0.000000       12.59476 
1 1 1 -20 30 12 o 84.38815 22.12552 234.7274       110.8237 0.000000       0.000000 234.7274       110.8237 ?        ?        84.38815 22.12552 0.000000       22.12552 
1 1 1 -20 30 13 o 112.8429 19.45928 407.9046       124.1307 0.000000       0.000000 407.9046       124.1307 ?        ?        112.8429 19.45928 0.000000       19.45928 
1 1 1 -20 30 14 o 66.48573 24.51529 126.5298       126.0586 0.000000       0.000000 126.5298       126.0586 ?        ?        66.48573 24.51529 0.000000       24.51529 
1 1 1 -20 30 15 o 53.22652 21.88782 44.66314       109.8252 0.000000       0.000000 44.66314       109.8252 ?        ?        53.22652 21.88782 0.000000       21.88782 
1 1 1 -20 30 16 o 48.90870 20.94038 13.24003       107.0151 0.000000       0.000000 13.24003       107.0151 ?        ?        48.90870 20.94038 0.000000       20.94038 
1 1 1 -20 30 17 o 49.22776 20.91081 19.70638       105.2280 0.000000       0.000000 19.70638       105.2280 ?        ?        49.22776 20.91081 0.000000       20.91081 
1 1 1 -20 30 18 o 84.70589 23.53688 244.1750       121.1117 0.000000       0.000000 244.1750       121.1117 ?        ?        84.70589 23.53688 0.000000       23.53688 
1 1 1 -20 30 19 o 92.42404 22.66089 290.0779       121.8723 0.000000       0.000000 290.0779       121.8723 ?        ?        92.42404 22.66089 0.000000       22.66089 
1 1 1 -20 30 20 o 86.37187 23.76709 258.0611       124.1633 0.000000       0.000000 258.0611       124.1633 ?        ?        86.37187 23.76709 0.000000       23.76709 
1 1 1 -20 30 21 o 127.1177 17.13466 517.0785       124.4914 0.000000       0.000000 517.0785       124.4914 ?        ?        127.1177 17.13466 0.000000       17.13466 
1 1 1 -20 30 22 o 63.99393 23.75533 124.1109       118.7173 0.000000       0.000000 124.1109       118.7173 ?        ?        63.99393 23.75533 0.000000       23.75533 
1 1 1 -20 30 23 o 52.22401 21.93208 40.46497       113.6234 0.000000       0.000000 40.46497       113.6234 ?        ?        52.22401 21.93208 0.000000       21.93208 
1 1 1 -20 30 24 o 84.82322 24.04691 255.7965       125.0908 0.000000       0.000000 255.7965       125.0908 ?        ?        84.82322 24.04691 0.000000       24.04691 
1 1 1 -20 30 25 o 108.9164 26.32037 435.7726       166.2387 0.000000       0.000000 435.7726       166.2387 ?        ?        108.9164 26.32037 0.000000       26.32037 
1 1 1 -20 30 26 o 61.66179 24.01430 110.7098       124.9891 0.000000       0.000000 110.7098       124.9891 ?        ?        61.66179 24.01430 0.000000       24.01430 
1 1 1 -20 30 27 o 143.1049 23.97404 727.5643       194.0982 0.000000       0.000000 727.5643       194.0982 ?        ?        143.1049 23.97404 0.000000       23.97404 
1 1 1 -20 30 28 o 70.41815 26.71957 171.2133       151.9571 0.000000       0.000000 171.2133       151.9571 ?        ?        70.41815 26.71957 0.000000       26.71957 
1 1 1 -20 30 29 o 165.9982 15.86953 888.9136       152.6176 0.000000       0.000000 888.9136       152.6176 ?        ?        165.9982 15.86953 0.000000       15.86953 
1 1 1 -20 30 30 o 105.4714 25.44690 418.7921       155.5813 0.000000       0.000000 418.7921       155.5813 ?        ?        105.4714 25.44690 0.000000       25.44690 
1 1 1 -20 30 31 o 48.13286 22.66237 -92.73952      164.9294 0.000000       0.000000 -92.73952      164.9294 ?        ?        48.13286 22.66237 0.000000       22.66237 
1 1 1 -20 30 32 o 49.49162 23.26531 -83.59579      172.6115 0.000000       0.000000 -83.59579      172.6115 ?        ?        49.49162 23.26531 0.000000       23.26531 
1 1 1 -20 31 1  o 73.87038 24.87304 170.3701       127.5034 1322.886       460.9203 74.86797       132.6810 184.8000 43.29109 61.08696 24.44183 123.7130       49.71440 
1 1 1 -20 31 2  o 140.8929 46.70747 819.6207       449.8763 819.6207       449.8763 0.000000       0.000000 140.8929 46.70747 ?        ?        0.000000       46.70747 
1 1 1 -20 31 3  o 60.54485 23.22860 88.90370       115.6615 537.1498       453.9481 57.78423       119.6091 118.7035 45.89323 57.00647 23.06682 61.69704       51.36406 
1 1 1 -20 31 4  o 189.0033 11.18024 1071.852       123.3748 2412.447       485.6570 979.3690       127.5594 265.1971 31.86298 180.2705 12.13600 84.92662       34.09592 
1 1 1 -20 31 5  o 113.3866 18.68438 406.8484       119.9245 0.000000       0.000000 406.8484       119.9245 ?        ?        113.3866 18.68438 0.000000       18.68438 
1 1 1 -20 31 6  f 126.4743 16.99608 498.7998       122.8789 0.000000       0.000000 498.7998       122.8789 ?        ?        126.4743 16.99608 0.000000       16.99608 
1 1 1 -20 31 7  o 107.9979 20.69264 376.5753       126.2939 0.000000       0.000000 376.5753       126.2939 ?        ?        107.9979 20.69264 0.000000       20.69264 
1 1 1 -20 31 8  o 34.45578 16.87731 -208.4664      115.0326 0.000000       0.000000 -208.4664      115.0326 ?        ?        34.45578 16.87731 0.000000       16.87731 
1 1 1 -20 31 9  f 110.4517 19.37560 390.4557       120.9353 0.000000       0.000000 390.4557       120.9353 ?        ?        110.4517 19.37560 0.000000       19.37560 
1 1 1 -20 31 10 o 63.38334 22.92031 115.5754       109.3995 0.000000       0.000000 115.5754       109.3995 ?        ?        63.38334 22.92031 0.000000       22.92031 
1 1 1 -20 31 11 o 102.4233 20.62701 341.7494       119.6141 0.000000       0.000000 341.7494       119.6141 ?        ?        102.4233 20.62701 0.000000       20.62701 
1 1 1 -20 31 12 o 68.71967 24.26959 144.6527       121.9205 0.000000       0.000000 144.6527       121.9205 ?        ?        68.71967 24.26959 0.000000       24.26959 
1 1 1 -20 31 13 o 59.06301 22.79550 86.69321       111.8557 0.000000       0.000000 86.69321       111.8557 ?        ?        59.06301 22.79550 0.000000       22.79550 
1 1 1 -20 31 14 o 61.16945 22.50734 105.8521       106.1605 0.000000       0.000000 105.8521       106.1605 ?        ?        61.16945 22.50734 0.000000       22.50734 
1 1 1 -20 31 15 f 112.6999 17.74463 404.9562       113.4107 0.000000       0.000000 404.9562       113.4107 ?        ?        112.6999 17.74463 0.000000       17.74463 
1 1 1 -20 31 16 o 57.39341 22.44769 79.28983       109.5918 0.000000       0.000000 79.28983       109.5918 ?        ?        57.39341 22.44769 0.000000       22.44769 
1 1 1 -20 31 17 o 74.40395 23.58740 185.8673       115.4742 0.000000       0.000000 185.8673       115.4742 ?        ?        74.40395 23.58740 0.000000       23.58740 
1 1 1 -20 31 18 o 75.37416 23.45086 192.9964       114.6695 0.000000       0.000000 192.9964       114.6695 ?        ?        75.37416 23.45086 0.000000       23.45086 
1 1 1 -20 31 19 o 58.00740 23.59993 71.75396       125.9929 0.000000       0.000000 71.75396       125.9929 ?        ?        58.00740 23.59993 0.000000       23.59993 
1 1 1 -20 31 20 o 74.29856 24.32223 189.1579       122.1289 0.000000       0.000000 189.1579       122.1289 ?        ?        74.29856 24.32223 0.000000       24.32223 
1 1 1 -20 31 21 o 168.5666 13.52696 880.5361       132.6063 0.000000       0.000000 880.5361       132.6063 ?        ?        168.5666 13.52696 0.000000       13.52696 
1 1 1 -20 31 22 o 123.1787 18.36177 495.8411       128.6013 0.000000       0.000000 495.8411       128.6013 ?        ?        123.1787 18.36177 0.000000       18.36177 
1 1 1 -20 31 23 o 61.89669 24.19509 108.2525       127.2574 0.000000       0.000000 108.2525       127.2574 ?        ?        61.89669 24.19509 0.000000       24.19509 
1 1 1 -20 31 24 o 64.40977 24.57379 128.2466       128.9689 0.000000       0.000000 128.2466       128.9689 ?        ?        64.40977 24.57379 0.000000       24.57379 
1 1 1 -20 31 25 o 83.25072 25.51015 256.2426       136.3047 0.000000       0.000000 256.2426       136.3047 ?        ?        83.25072 25.51015 0.000000       25.51015 
1 1 1 -20 31 26 o 40.81429 19.63140 -153.0588      137.9554 0.000000       0.000000 -153.0588      137.9554 ?        ?        40.81429 19.63140 0.000000       19.63140 
1 1 1 -20 31 27 o 112.9046 22.81247 452.1410       145.8505 0.000000       0.000000 452.1410       145.8505 ?        ?        112.9046 22.81247 0.000000       22.81247 
1 1 1 -20 31 28 o 52.62486 23.89713 -16.72377      160.3909 0.000000       0.000000 -16.72377      160.3909 ?        ?        52.62486 23.89713 0.000000       23.89713 
1 1 1 -20 31 29 o 95.50663 29.36536 374.0652       180.4240 0.000000       0.000000 374.0652       180.4240 ?        ?        95.50663 29.36536 0.000000       29.36536 
1 1 1 -20 31 30 o 89.73874 36.97878 397.8094       314.3261 0.000000       0.000000 397.8094       314.3261 ?        ?        89.73874 36.97878 0.000000       36.97878 
1 1 1 -20 32 1  o 266.9614 28.63314 2407.694       441.3026 2407.694       441.3026 0.000000       0.000000 266.9614 28.63314 ?        ?        0.000000       28.63314 
1 1 1 -20 32 2  o 117.6513 21.24788 448.6572       141.2157 565.5577       417.2512 433.5348       150.0719 118.4373 44.42142 114.6532 23.11737 3.784096       50.07670 
1 1 1 -20 32 3  o 159.5509 14.75250 781.3078       136.4806 0.000000       0.000000 781.3078       136.4806 ?        ?        159.5509 14.75250 0.000000       14.75250 
1 1 1 -20 32 4  o 133.7199 16.42800 556.7980       126.1300 536.4208       452.9475 558.5110       131.3244 115.7785 45.53055 133.5843 17.15828 -17.80579      48.65632 
1 1 1 -20 32 5  o 115.8503 20.70075 434.2419       135.4860 0.000000       0.000000 434.2419       135.4860 ?        ?        115.8503 20.70075 0.000000       20.70075 
1 1 1 -20 32 6  o 76.35870 24.05772 191.3439       120.2941 0.000000       0.000000 191.3439       120.2941 ?        ?        76.35870 24.05772 0.000000       24.05772 
1 1 1 -20 32 7  f 116.2870 18.30877 429.8020       120.7410 1100.633       465.5262 381.4206       125.0192 158.7641 46.81189 108.4306 20.40830 50.33356       51.06713 
1 1 1 -20 32 8  o 56.42690 22.96280 57.91607       119.3181 0.000000       0.000000 57.91607       119.3181 ?        ?        56.42690 22.96280 0.000000       22.96280 
1 1 1 -20 32 9  f 65.94988 23.71531 129.3931       116.9230 0.000000       0.000000 129.3931       116.9230 ?        ?        65.94988 23.71531 0.000000       23.71531 
1 1 1 -20 32 10 o 54.18525 22.65142 38.52935       120.3527 0.000000       0.000000 38.52935       120.3527 ?        ?        54.18525 22.65142 0.000000       22.65142 
1 1 1 -20 32 11 o 58.34253 22.74034 81.85571       112.1529 0.000000       0.000000 81.85571       112.1529 ?        ?        58.34253 22.74034 0.000000       22.74034 
1 1 1 -20 32 12 o 63.84075 23.36748 118.7891       114.1918 0.000000       0.000000 118.7891       114.1918 ?        ?        63.84075 23.36748 0.000000       23.36748 
1 1 1 -20 32 13 o 78.23770 27.17047 203.7830       152.4022 0.000000       0.000000 203.7830       152.4022 ?        ?        78.23770 27.17047 0.000000       27.17047 
1 1 1 -20 32 14 o 173.5396 15.15418 935.4081       152.6887 0.000000       0.000000 935.4081       152.6887 ?        ?        173.5396 15.15418 0.000000       15.15418 
1 1 1 -20 32 15 o 65.70029 23.39823 134.1401       113.5292 0.000000       0.000000 134.1401       113.5292 ?        ?        65.70029 23.39823 0.000000       23.39823 
1 1 1 -20 32 16 o 108.4481 18.84504 383.5473       115.5110 0.000000       0.000000 383.5473       115.5110 ?        ?        108.4481 18.84504 0.000000       18.84504 
1 1 1 -20 32 17 o 52.30356 22.27040 29.58372       119.8496 0.000000       0.000000 29.58372       119.8496 ?        ?        52.30356 22.27040 0.000000       22.27040 
1 1 1 -20 32 18 f 112.9854 19.43427 420.2794       124.1352 0.000000       0.000000 420.2794       124.1352 ?        ?        112.9854 19.43427 0.000000       19.43427 
1 1 1 -20 32 19 o 122.3508 17.66066 484.0228       123.0619 0.000000       0.000000 484.0228       123.0619 ?        ?        122.3508 17.66066 0.000000       17.66066 
1 1 1 -20 32 20 o 153.4370 15.00204 740.8018       133.2763 0.000000       0.000000 740.8018       133.2763 ?        ?        153.4370 15.00204 0.000000       15.00204 
1 1 1 -20 32 21 o 113.4873 20.24297 432.6936       129.7899 0.000000       0.000000 432.6936       129.7899 ?        ?        113.4873 20.24297 0.000000       20.24297 
1 1 1 -20 32 22 o 147.9324 16.06310 699.9957       137.1272 0.000000       0.000000 699.9957       137.1272 ?        ?        147.9324 16.06310 0.000000       16.06310 
1 1 1 -20 32 23 o 107.5138 21.39938 398.4724       130.1860 0.000000       0.000000 398.4724       130.1860 ?        ?        107.5138 21.39938 0.000000       21.39938 
1 1 1 -20 32 24 o 51.21244 22.71301 3.940926       135.7377 0.000000       0.000000 3.940926       135.7377 ?        ?        51.21244 22.71301 0.000000       22.71301 
1 1 1 -20 32 25 o 114.4762 21.36959 453.9850       138.1950 0.000000       0.000000 453.9850       138.1950 ?        ?        114.4762 21.36959 0.000000       21.36959 
1 1 1 -20 32 26 o 110.9726 22.82140 438.6815       143.5658 0.000000       0.000000 438.6815       143.5658 ?        ?        110.9726 22.82140 0.000000       22.82140 
1 1 1 -20 32 27 o 51.26592 23.33191 -22.04718      153.9548 0.000000       0.000000 -22.04718      153.9548 ?        ?        51.26592 23.33191 0.000000       23.33191 
1 1 1 -20 32 28 o 114.2476 26.19737 495.9145       171.7815 0.000000       0.000000 495.9145       171.7815 ?        ?        114.2476 26.19737 0.000000       26.19737 
1 1 1 -20 32 29 o 108.4124 28.59612 472.6051       184.4025 0.000000       0.000000 472.6051       184.4025 ?        ?        108.4124 28.59612 0.000000       28.59612 
1 1 1 -20 33 1  o 91.58930 40.22989 173.3739       416.1795 173.3739       416.1795 0.000000       0.000000 91.58930 40.22989 ?        ?        0.000000       40.22989 
1 1 1 -20 33 2  o 216.7589 21.47433 1512.836       269.4058 878.5909       422.7907 1946.405       349.5636 142.0387 45.14619 242.4366 24.94080 -100.3979      51.57734 
1 1 1 -20 33 3  o 101.1670 23.77513 344.6611       138.6608 0.000000       0.000000 344.6611       138.6608 ?        ?        101.1670 23.77513 0.000000       23.77513 
1 1 1 -20 33 4  o 103.0640 24.69433 360.9232       147.3074 0.000000       0.000000 360.9232       147.3074 ?        ?        103.0640 24.69433 0.000000       24.69433 
1 1 1 -20 33 5  o 130.1542 17.18899 533.5140       128.0032 1278.631       442.7271 465.5458       133.7139 175.7759 43.24715 120.2202 19.64249 55.55576       47.49887 
1 1 1 -20 33 6  o 163.1138 13.57964 814.4620       128.7288 1550.397       455.8856 750.6996       134.1895 197.6888 40.67838 155.9171 14.85415 41.77168       43.30562 
1 1 1 -20 33 7  o 116.5677 19.05931 436.8840       125.7989 0.000000       0.000000 436.8840       125.7989 ?        ?        116.5677 19.05931 0.000000       19.05931 
1 1 1 -20 33 8  o 77.32687 23.56716 200.2240       116.5361 1026.042       455.3595 142.3458       120.5508 149.7383 46.75420 67.93834 24.11963 81.79994       52.60905 
1 1 1 -20 33 9  o 129.7116 17.11898 531.9376       127.0527 0.000000       0.000000 531.9376       127.0527 ?        ?        129.7116 17.11898 0.000000       17.11898 
1 1 1 -20 33 10 o 83.47714 23.54720 237.2637       120.2526 0.000000       0.000000 237.2637       120.2526 ?        ?        83.47714 23.54720 0.000000       23.54720 
1 1 1 -20 33 11 o 61.50204 24.11920 95.07382       126.8045 0.000000       0.000000 95.07382       126.8045 ?        ?        61.50204 24.11920 0.000000       24.11920 
1 1 1 -20 33 12 o 90.84669 22.75265 281.3822       120.9491 0.000000       0.000000 281.3822       120.9491 ?        ?        90.84669 22.75265 0.000000       22.75265 
1 1 1 -20 33 13 o 55.86992 24.19040 23.00539       145.9168 0.000000       0.000000 23.00539       145.9168 ?        ?        55.86992 24.19040 0.000000       24.19040 
1 1 1 -20 33 14 o 136.6384 16.32381 591.3519       128.2264 0.000000       0.000000 591.3519       128.2264 ?        ?        136.6384 16.32381 0.000000       16.32381 
1 1 1 -20 33 15 o 194.5811 11.94656 1155.789       135.6735 0.000000       0.000000 1155.789       135.6735 ?        ?        194.5811 11.94656 0.000000       11.94656 
1 1 1 -20 33 16 o 125.9683 18.06219 513.5546       129.6259 0.000000       0.000000 513.5546       129.6259 ?        ?        125.9683 18.06219 0.000000       18.06219 
1 1 1 -20 33 17 o 150.4143 16.34769 719.4054       141.8934 0.000000       0.000000 719.4054       141.8934 ?        ?        150.4143 16.34769 0.000000       16.34769 
1 1 1 -20 33 18 o 139.0457 16.56436 618.2520       132.4247 0.000000       0.000000 618.2520       132.4247 ?        ?        139.0457 16.56436 0.000000       16.56436 
1 1 1 -20 33 19 o 69.66505 25.14135 162.3410       131.5469 0.000000       0.000000 162.3410       131.5469 ?        ?        69.66505 25.14135 0.000000       25.14135 
1 1 1 -20 33 20 o 90.80367 24.19790 296.3603       131.1874 0.000000       0.000000 296.3603       131.1874 ?        ?        90.80367 24.19790 0.000000       24.19790 
1 1 1 -20 33 21 o 61.80568 24.90757 101.5951       138.8342 0.000000       0.000000 101.5951       138.8342 ?        ?        61.80568 24.90757 0.000000       24.90757 
1 1 1 -20 33 22 o 125.1335 19.34368 524.5692       137.3852 0.000000       0.000000 524.5692       137.3852 ?        ?        125.1335 19.34368 0.000000       19.34368 
1 1 1 -20 33 23 o 60.51903 24.38912 98.64803       133.1151 0.000000       0.000000 98.64803       133.1151 ?        ?        60.51903 24.38912 0.000000       24.38912 
1 1 1 -20 33 24 o 93.55651 24.88101 324.5031       138.8749 0.000000       0.000000 324.5031       138.8749 ?        ?        93.55651 24.88101 0.000000       24.88101 
1 1 1 -20 33 25 o 151.4355 17.81857 758.4698       155.2274 0.000000       0.000000 758.4698       155.2274 ?        ?        151.4355 17.81857 0.000000       17.81857 
1 1 1 -20 33 26 o 86.21467 27.12837 291.2479       153.0083 0.000000       0.000000 291.2479       153.0083 ?        ?        86.21467 27.12837 0.000000       27.12837 
1 1 1 -20 33 27 o 83.03754 28.13697 275.1811       163.1663 0.000000       0.000000 275.1811       163.1663 ?        ?        83.03754 28.13697 0.000000       28.13697 
1 1 1 -20 33 28 o 81.59589 27.68012 266.3802       157.9142 0.000000       0.000000 266.3802       157.9142 ?        ?        81.59589 27.68012 0.000000       27.68012 
1 1 1 -20 34 1  o 162.3349 35.36091 1001.935       327.1058 0.000000       0.000000 1001.935       327.1058 ?        ?        162.3349 35.36091 0.000000       35.36091 
1 1 1 -20 34 2  o 119.8831 19.17732 463.7244       130.2907 1033.468       444.7375 410.2346       136.2696 150.4973 46.07278 111.2621 21.66286 39.23526       50.91150 
1 1 1 -20 34 3  o 87.67880 24.58791 264.1201       131.5186 34.45218       415.7977 289.6525       138.6365 83.22280 38.05475 91.55314 25.08285 -8.330338      45.57755 
1 1 1 -20 34 4  o 159.5315 15.30899 791.2296       141.4773 1940.053       425.5638 648.4842       150.0096 231.0400 32.28751 142.5434 18.37079 88.49669       37.14794 
1 1 1 -20 34 5  f 39.06905 18.76735 -156.2058      125.1328 228.5774       396.2037 -198.8400      131.8831 91.30270 39.69426 38.25262 18.58927 53.05009       43.83144 
1 1 1 -20 34 6  o 146.1133 15.61369 667.2087       131.7255 1814.718       418.8105 541.2291       138.7681 221.4995 33.26691 129.6874 18.79178 91.81206       38.20757 
1 1 1 -20 34 7  o 100.8671 22.30410 343.1499       128.4348 467.0421       421.8529 330.4928       134.8359 105.4062 43.07043 98.18788 23.68968 7.218315       49.15549 
1 1 1 -20 34 8  o 49.21939 21.65574 -5.364050      121.0627 171.1085       432.0802 -20.39809      126.1141 88.84292 39.88398 48.76796 21.74488 40.07495       45.42655 
1 1 1 -20 34 9  o 117.7304 19.68465 453.6723       131.1200 935.5302       441.6045 407.0846       137.3123 138.2632 46.28715 109.9744 22.05775 28.28880       51.27420 
1 1 1 -20 34 10 o 151.8914 15.17105 721.5548       133.3388 418.9101       444.9696 751.4118       139.7613 100.8660 42.92850 154.7476 15.61297 -53.88157      45.67954 
1 1 1 -20 34 11 o 103.7417 21.27205 361.5857       125.0752 0.000000       0.000000 361.5857       125.0752 ?        ?        103.7417 21.27205 0.000000       21.27205 
1 1 1 -20 34 12 o 65.05379 26.19445 106.6457       153.4104 0.000000       0.000000 106.6457       153.4104 ?        ?        65.05379 26.19445 0.000000       26.19445 
1 1 1 -20 34 13 o 176.4820 12.90822 958.4736       132.6793 0.000000       0.000000 958.4736       132.6793 ?        ?        176.4820 12.90822 0.000000       12.90822 
1 1 1 -20 34 14 o 91.98502 27.16576 309.4355       156.6698 0.000000       0.000000 309.4355       156.6698 ?        ?        91.98502 27.16576 0.000000       27.16576 
1 1 1 -20 34 15 o 107.2869 20.80622 387.7647       126.1898 0.000000       0.000000 387.7647       126.1898 ?        ?        107.2869 20.80622 0.000000       20.80622 
1 1 1 -20 34 16 o 101.1963 22.91056 356.5080       132.7972 0.000000       0.000000 356.5080       132.7972 ?        ?        101.1963 22.91056 0.000000       22.91056 
1 1 1 -20 34 17 o 70.94121 25.63402 170.3102       136.8059 0.000000       0.000000 170.3102       136.8059 ?        ?        70.94121 25.63402 0.000000       25.63402 
1 1 1 -20 34 18 o 47.96925 21.69953 -28.96625      130.7232 0.000000       0.000000 -28.96625      130.7232 ?        ?        47.96925 21.69953 0.000000       21.69953 
1 1 1 -20 34 19 o 181.5369 14.27136 1035.406       150.7222 0.000000       0.000000 1035.406       150.7222 ?        ?        181.5369 14.27136 0.000000       14.27136 
1 1 1 -20 34 20 o 173.4477 15.21583 956.6061       153.2137 0.000000       0.000000 956.6061       153.2137 ?        ?        173.4477 15.21583 0.000000       15.21583 
1 1 1 -20 34 21 o 61.52365 24.92535 101.6490       139.8555 0.000000       0.000000 101.6490       139.8555 ?        ?        61.52365 24.92535 0.000000       24.92535 
1 1 1 -20 34 22 o 69.41216 26.38006 164.1891       148.2646 0.000000       0.000000 164.1891       148.2646 ?        ?        69.41216 26.38006 0.000000       26.38006 
1 1 1 -20 34 23 o 61.41821 25.26412 99.61287       146.3788 0.000000       0.000000 99.61287       146.3788 ?        ?        61.41821 25.26412 0.000000       25.26412 
1 1 1 -20 34 24 o 123.6644 22.66414 543.7404       158.3188 0.000000       0.000000 543.7404       158.3188 ?        ?        123.6644 22.66414 0.000000       22.66414 
1 1 1 -20 34 25 o 145.3453 19.35328 715.6506       160.8743 0.000000       0.000000 715.6506       160.8743 ?        ?        145.3453 19.35328 0.000000       19.35328 
1 1 1 -20 34 26 o 73.85175 27.48128 206.3853       159.0606 0.000000       0.000000 206.3853       159.0606 ?        ?        73.85175 27.48128 0.000000       27.48128 
1 1 1 -20 35 1  o 143.2492 18.20772 658.2903       149.5156 569.3563       432.4175 670.3666       159.3438 110.9100 44.20879 143.7757 19.39120 -32.86567      48.27459 
1 1 1 -20 35 2  o 145.4131 17.97786 676.9158       150.0556 1489.197       424.6645 561.0274       160.4031 191.0295 39.21943 129.6998 21.86409 61.32971       44.90214 
1 1 1 -20 35 3  o 180.4195 14.10885 1006.812       148.1018 1030.688       424.7483 1003.508       158.0188 148.3983 44.94476 179.4116 15.15959 -31.01326      47.43253 
1 1 1 -20 35 4  o 152.5219 16.46272 734.9393       144.9295 869.1873       395.5940 714.1273       155.7589 136.7637 43.69252 149.1879 18.17676 -12.42418      47.32262 
1 1 1 -20 35 5  o 137.1584 18.83665 608.8731       147.5243 0.000000       0.000000 608.8731       147.5243 ?        ?        137.1584 18.83665 0.000000       18.83665 
1 1 1 -20 35 6  o 134.4368 18.00239 581.0969       138.3737 1875.940       413.7288 418.0127       146.8294 224.1305 32.41520 110.4116 23.40272 113.7188       39.98040 
1 1 1 -20 35 7  o 79.51473 25.90085 220.4953       138.5799 1353.454       416.2078 79.23355       146.9655 178.5382 40.66188 61.46463 25.30225 117.0736       47.89147 
1 1 1 -20 35 8  o 73.77010 25.14569 184.0863       130.3398 392.6375       424.1482 162.3388       136.9672 98.41092 41.89882 70.80955 25.64053 27.60137       49.12176 
1 1 1 -20 35 9  o 71.77572 24.79702 172.3934       126.8675 -88.96221      438.0538 196.3224       132.5482 77.17250 36.51564 75.57384 25.35968 1.598656       44.45790 
1 1 1 -20 35 10 o 99.06684 22.39688 336.7889       127.0608 625.5280       446.9081 311.3969       132.5301 111.3317 44.75050 94.25893 23.93407 17.07281       50.74886 
1 1 1 -20 35 11 o 79.65848 24.98043 223.7364       129.8463 179.0916       446.6187 227.8584       135.7083 87.00839 39.65328 80.19014 25.58789 6.818253       47.19240 
1 1 1 -20 35 12 o 58.65227 23.79457 78.64663       127.6543 0.000000       0.000000 78.64663       127.6543 ?        ?        58.65227 23.79457 0.000000       23.79457 
1 1 1 -20 35 13 o 146.7988 16.74678 690.1932       141.6038 0.000000       0.000000 690.1932       141.6038 ?        ?        146.7988 16.74678 0.000000       16.74678 
1 1 1 -20 35 14 o 163.1103 13.95141 830.8039       132.1794 0.000000       0.000000 830.8039       132.1794 ?        ?        163.1103 13.95141 0.000000       13.95141 
1 1 1 -20 35 15 o 83.06042 25.23235 250.2917       133.7323 0.000000       0.000000 250.2917       133.7323 ?        ?        83.06042 25.23235 0.000000       25.23235 
1 1 1 -20 35 16 o 131.7975 20.27911 583.6953       151.7325 0.000000       0.000000 583.6953       151.7325 ?        ?        131.7975 20.27911 0.000000       20.27911 
1 1 1 -20 35 17 o 90.49531 25.79294 303.7112       143.5307 0.000000       0.000000 303.7112       143.5307 ?        ?        90.49531 25.79294 0.000000       25.79294 
1 1 1 -20 35 18 o 76.34951 27.00351 213.3614       150.9799 0.000000       0.000000 213.3614       150.9799 ?        ?        76.34951 27.00351 0.000000       27.00351 
1 1 1 -20 35 19 o 123.7986 22.33899 535.0141       156.2257 0.000000       0.000000 535.0141       156.2257 ?        ?        123.7986 22.33899 0.000000       22.33899 
1 1 1 -20 35 20 o 89.15186 28.09724 310.5469       164.0704 0.000000       0.000000 310.5469       164.0704 ?        ?        89.15186 28.09724 0.000000       28.09724 
1 1 1 -20 35 21 o 52.75501 23.78535 -7.838108      155.5465 0.000000       0.000000 -7.838108      155.5465 ?        ?        52.75501 23.78535 0.000000       23.78535 
1 1 1 -20 35 22 o 95.41941 27.24523 355.5520       160.0077 0.000000       0.000000 355.5520       160.0077 ?        ?        95.41941 27.24523 0.000000       27.24523 
1 1 1 -20 35 23 f 63.42997 26.47100 108.4143       163.9490 0.000000       0.000000 108.4143       163.9490 ?        ?        63.42997 26.47100 0.000000       26.47100 
1 1 1 -20 35 24 o 56.89429 25.48001 20.70431       175.1904 0.000000       0.000000 20.70431       175.1904 ?        ?        56.89429 25.48001 0.000000       25.48001 
1 1 1 -20 35 25 o 46.08888 22.01125 -131.8217      166.7282 0.000000       0.000000 -131.8217      166.7282 ?        ?        46.08888 22.01125 0.000000       22.01125 
1 1 1 -20 36 1  o 53.26770 24.22284 -42.71712      165.5066 -673.2764      410.9764 79.34258       180.8173 59.63231 29.68929 65.02694 27.50718 -5.394630      40.47343 
1 1 1 -20 36 2  o 180.1114 15.34783 1016.897       160.5778 488.9501       409.8652 1112.627       174.5300 103.8103 42.44042 187.9404 15.98589 -84.13007      45.35127 
1 1 1 -20 36 3  o 148.2885 17.29263 703.4918       147.5708 324.6659       407.6147 760.6338       158.3099 93.71711 40.50412 153.8203 17.88157 -60.10323      44.27566 
1 1 1 -20 36 4  o 123.1360 24.54357 528.0698       171.0209 0.000000       0.000000 528.0698       171.0209 ?        ?        123.1360 24.54357 0.000000       24.54357 
1 1 1 -20 36 5  f 100.1366 23.92998 350.7748       138.6146 854.5595       394.2118 279.6991       148.0702 132.7246 43.71110 87.99067 26.51245 44.73397       51.12309 
1 1 1 -20 36 6  o 64.30829 24.98588 117.1945       135.0571 1203.472       396.5792 -25.31772      143.6434 165.2668 41.09065 50.94445 22.92283 114.3223       47.05207 
1 1 1 -20 36 7  o 71.98660 25.57274 173.9304       135.5326 324.1514       394.8849 153.8714       144.2980 92.61752 39.94696 69.63316 26.12174 22.98436       47.72950 
1 1 1 -20 36 8  o 45.48621 21.15176 -80.59450      136.4214 -76.09220      405.5050 -81.16911      144.8655 74.59218 35.24622 46.96842 21.82588 27.62376       41.45678 
1 1 1 -20 36 9  o 64.57225 25.26143 119.2325       138.8145 111.6853       430.3218 120.1091       146.6545 82.65878 38.13173 65.33173 25.84075 17.32704       46.06271 
1 1 1 -20 36 10 o 153.9931 15.67945 752.0760       139.6333 -65.75716      435.0936 845.9796       147.4318 76.07011 36.11037 163.4809 15.56467 -87.41074      39.32198 
1 1 1 -20 36 11 o 47.23402 21.79005 -62.96685      140.5264 0.000000       0.000000 -62.96685      140.5264 ?        ?        47.23402 21.79005 0.000000       21.79005 
1 1 1 -20 36 12 o 111.0959 24.09976 437.6324       152.4967 0.000000       0.000000 437.6324       152.4967 ?        ?        111.0959 24.09976 0.000000       24.09976 
1 1 1 -20 36 13 o 72.62614 29.16487 166.8990       189.6294 0.000000       0.000000 166.8990       189.6294 ?        ?        72.62614 29.16487 0.000000       29.16487 
1 1 1 -20 36 14 o 128.4540 20.30358 556.6088       147.8803 0.000000       0.000000 556.6088       147.8803 ?        ?        128.4540 20.30358 0.000000       20.30358 
1 1 1 -20 36 15 o 115.5983 22.21420 465.1631       145.1318 0.000000       0.000000 465.1631       145.1318 ?        ?        115.5983 22.21420 0.000000       22.21420 
1 1 1 -20 36 16 f 49.15565 22.45554 -38.99057      144.3274 0.000000       0.000000 -38.99057      144.3274 ?        ?        49.15565 22.45554 0.000000       22.45554 
1 1 1 -20 36 17 o 79.67616 27.24412 238.9756       153.0240 0.000000       0.000000 238.9756       153.0240 ?        ?        79.67616 27.24412 0.000000       27.24412 
1 1 1 -20 36 18 o 44.36710 21.23081 -146.2566      156.7626 0.000000       0.000000 -146.2566      156.7626 ?        ?        44.36710 21.23081 0.000000       21.23081 
1 1 1 -20 36 19 o 58.33917 25.32575 52.99574       160.7896 0.000000       0.000000 52.99574       160.7896 ?        ?        58.33917 25.32575 0.000000       25.32575 
1 1 1 -20 36 20 o 66.10879 26.99887 132.0231       165.6592 0.000000       0.000000 132.0231       165.6592 ?        ?        66.10879 26.99887 0.000000       26.99887 
1 1 1 -20 36 21 o 58.38354 25.89611 36.34723       176.4950 0.000000       0.000000 36.34723       176.4950 ?        ?        58.38354 25.89611 0.000000       25.89611 
1 1 1 -20 36 22 f 64.57239 27.57089 105.2494       184.5934 0.000000       0.000000 105.2494       184.5934 ?        ?        64.57239 27.57089 0.000000       27.57089 
1 1 1 -20 36 23 o 67.02088 28.44038 131.1212       194.3201 0.000000       0.000000 131.1212       194.3201 ?        ?        67.02088 28.44038 0.000000       28.44038 
1 1 1 -20 37 1  o 55.00766 24.34909 5.628902       155.2579 450.4815       395.7831 -75.27682      168.7869 99.32809 41.26416 51.19983 23.71155 48.12827       47.59168 
1 1 1 -20 37 2  o 116.5368 23.90015 475.0700       157.8619 277.1273       389.2067 514.0455       172.7057 88.96476 38.99586 120.1901 25.30273 -31.22531      46.48554 
1 1 1 -20 37 3  f 56.93280 24.76729 30.14545       154.4500 339.5744       379.7815 -31.17223      169.0621 92.21525 39.46452 54.12917 24.56221 38.08608       46.48387 
1 1 1 -20 37 4  o 135.9794 19.78062 612.9212       153.1260 1057.884       387.7646 530.7134       166.6720 150.0336 42.27097 123.2025 23.92981 26.83114       48.57438 
1 1 1 -20 37 5  o 100.6518 24.85962 363.2992       145.8686 448.9051       380.6212 348.5616       157.9264 98.67971 40.68046 97.11053 26.83666 1.569183       48.73506 
1 1 1 -20 37 6  o 136.1829 18.69358 608.6708       145.3663 1179.704       392.5387 517.9130       156.4924 160.2527 41.45568 122.5693 22.60267 37.68346       47.21710 
1 1 1 -20 37 7  o 87.13240 26.21698 279.0388       144.8623 -93.89311      406.9229 333.1601       155.0178 73.03240 34.74090 94.79328 26.73373 -21.76088      43.83632 
1 1 1 -20 37 8  o 55.30023 23.54293 44.89484       133.9035 -142.6250      410.3036 67.24747       141.6596 71.47829 34.24262 58.59473 24.54038 12.88356       42.12822 
1 1 1 -20 37 9  o 50.80930 23.06161 -31.21182      149.1515 416.4002       425.6850 -93.85374      159.2465 95.02757 41.23042 48.19431 22.55657 46.83326       46.99730 
1 1 1 -20 37 10 o 57.72493 24.54093 56.78230       145.1449 158.5872       439.6549 44.32955       153.7659 82.90194 38.34974 57.59879 24.88561 25.30315       45.71647 
1 1 1 -20 37 11 o 112.2239 24.06492 449.7701       153.6339 374.4241       458.7953 459.2860       163.0471 91.95531 41.20403 112.3163 25.35537 -20.36095      48.38044 
1 1 1 -20 37 12 o 110.9166 24.90471 446.0470       158.0282 0.000000       0.000000 446.0470       158.0282 ?        ?        110.9166 24.90471 0.000000       24.90471 
1 1 1 -20 37 13 o 193.7899 15.62282 1197.688       176.0547 0.000000       0.000000 1197.688       176.0547 ?        ?        193.7899 15.62282 0.000000       15.62282 
1 1 1 -20 37 14 o 95.49655 25.46224 338.4584       145.2057 1206.846       504.3353 259.9669       151.6261 137.2299 49.26525 82.82768 27.09992 54.40227       56.22696 
1 1 1 -20 37 15 o 69.31274 26.65564 161.7136       152.5566 0.000000       0.000000 161.7136       152.5566 ?        ?        69.31274 26.65564 0.000000       26.65564 
1 1 1 -20 37 16 o 91.86655 27.07493 325.9298       155.7569 0.000000       0.000000 325.9298       155.7569 ?        ?        91.86655 27.07493 0.000000       27.07493 
1 1 1 -20 37 17 o 78.42921 31.05599 237.0866       212.0439 0.000000       0.000000 237.0866       212.0439 ?        ?        78.42921 31.05599 0.000000       31.05599 
1 1 1 -20 37 18 o 104.3389 29.55618 441.8664       189.0501 0.000000       0.000000 441.8664       189.0501 ?        ?        104.3389 29.55618 0.000000       29.55618 
1 1 1 -20 37 19 o 51.15260 23.86623 -70.50533      175.9967 0.000000       0.000000 -70.50533      175.9967 ?        ?        51.15260 23.86623 0.000000       23.86623 
1 1 1 -20 37 20 f 64.39927 27.14622 111.2999       175.0990 0.000000       0.000000 111.2999       175.0990 ?        ?        64.39927 27.14622 0.000000       27.14622 
1 1 1 -20 38 1  o 87.13313 27.87261 286.7920       160.9474 286.4662       395.0148 286.8568       176.2399 87.95591 38.89059 86.50567 29.24289 1.450241       48.65825 
1 1 1 -20 38 2  o 130.3717 22.85578 589.7860       168.3874 303.7444       372.4210 663.2888       188.7866 88.41790 38.46178 136.9846 24.39335 -48.56672      45.54497 
1 1 1 -20 38 3  o 93.04561 28.21310 331.0485       167.3016 1099.984       389.0976 156.6473       185.3056 151.0873 42.26389 71.29404 28.76006 79.79326       51.12120 
1 1 1 -20 38 4  o 158.1331 17.54136 812.3338       159.9477 348.0276       376.7023 914.4515       176.6633 90.75861 39.07968 167.1382 18.32270 -76.37958      43.16182 
1 1 1 -20 38 5  o 77.78288 28.20333 220.7014       165.7881 223.5186       389.5008 220.0780       183.2132 84.18121 37.82328 77.91688 29.39000 6.264328       47.89961 
1 1 1 -20 38 6  o 99.37985 27.54070 374.6917       166.0636 0.000000       0.000000 374.6917       166.0636 ?        ?        99.37985 27.54070 0.000000       27.54070 
1 1 1 -20 38 7  o 81.97504 27.23480 251.4992       152.9359 1351.667       422.1017 85.24914       164.0848 167.3655 42.83007 62.43169 26.29556 104.9338       50.25805 
1 1 1 -20 38 8  f 96.17785 25.89734 343.4395       149.3050 841.3711       415.2066 269.4918       160.0080 122.3476 44.59309 84.19720 27.85339 38.15044       52.57713 
1 1 1 -20 38 9  o 67.26176 26.03948 144.2919       146.2862 259.1049       413.8790 127.9009       156.3801 85.64922 38.69051 66.00175 26.49171 19.64747       46.89100 
1 1 1 -20 38 10 o 57.46506 24.65083 52.60086       148.8224 222.0684       414.2023 27.48039       159.4715 83.72443 38.16839 56.53452 24.86522 27.18992       45.55332 
1 1 1 -20 38 11 o 125.1154 22.28726 546.2712       157.5411 710.1017       416.0785 518.8533       170.2140 110.7133 43.60780 119.3034 25.12246 -8.590134      50.32671 
1 1 1 -20 38 12 o 60.39315 25.42316 80.71768       153.2457 250.0910       423.7846 55.23806       164.3688 84.20419 38.47124 59.18883 25.65077 25.01537       46.23850 
1 1 1 -20 38 13 o 65.54135 26.00215 133.4382       148.9115 -18.42348      441.8359 152.8984       158.1651 74.56316 35.67034 68.30345 26.89156 6.259705       44.67135 
1 1 1 -20 38 14 o 127.6322 21.49799 566.3933       155.2069 -18.74730      450.3547 645.2582       165.3357 74.58882 35.77043 136.4969 21.35278 -61.90805      41.65891 
1 1 1 -20 38 15 o 152.3101 18.71068 775.5605       163.6279 196.0330       438.2312 869.4438       176.3845 81.15970 37.79768 160.9882 19.05037 -79.82852      42.32707 
1 1 1 -20 38 16 o 67.83614 28.96023 124.9810       203.6131 0.000000       0.000000 124.9810       203.6131 ?        ?        67.83614 28.96023 0.000000       28.96023 
1 1 1 -20 38 17 o 101.4998 31.36284 438.2887       205.4984 0.000000       0.000000 438.2887       205.4984 ?        ?        101.4998 31.36284 0.000000       31.36284 
1 1 1 -20 38 18 o 73.73933 29.61260 200.2495       195.5012 0.000000       0.000000 200.2495       195.5012 ?        ?        73.73933 29.61260 0.000000       29.61260 
1 1 1 -20 39 1  o 58.50676 25.68565 35.45697       169.4590 -260.8296      413.6951 95.19465       185.7584 67.23958 32.73198 65.18141 27.73877 2.058167       42.90480 
1 1 1 -20 39 2  o 55.29729 24.83084 -2.420560      167.5947 446.4522       420.4958 -87.19189      182.7362 95.14338 41.12988 51.83136 24.22759 43.31202       47.73513 
1 1 1 -20 39 3  o 49.70970 23.27323 -90.94775      169.7522 -203.7404      407.9018 -67.32155      186.6862 68.31007 33.07729 53.48735 24.82834 14.82272       41.35884 
1 1 1 -20 39 4  o 65.82037 26.56838 125.9781       158.2468 212.6158       389.3833 108.8377       173.1946 82.61871 37.40470 65.22041 27.21184 17.39831       46.25577 
1 1 1 -20 39 5  o 94.70451 27.91676 347.0142       165.5798 -269.1595      388.4435 483.8344       183.0423 64.91393 31.62612 112.4909 27.88536 -47.57698      42.16402 
1 1 1 -20 39 6  o 65.40781 26.33444 125.7168       155.0381 580.4381       363.9044 24.87642       171.3689 104.7135 40.91972 57.62632 25.54103 47.08720       48.23658 
1 1 1 -20 39 7  o 129.6433 21.61643 581.4204       158.5718 939.0769       362.1881 496.6064       176.3742 136.3832 41.54372 115.0066 26.66868 21.37657       49.36699 
1 1 1 -20 39 8  o 82.79772 27.38806 263.1709       154.7073 537.3856       346.5597 194.9251       172.8903 101.6626 39.87215 73.81652 28.37938 27.84608       48.94055 
1 1 1 -20 39 9  o 51.80311 23.55717 -23.79796      156.5419 258.9181       336.0317 -102.1591      176.9113 82.57710 36.21398 49.77405 23.44622 32.80305       43.14137 
1 1 1 -20 39 10 o 83.72409 26.90382 269.3522       149.8298 428.0499       330.6317 228.3407       168.0784 93.46915 38.15407 77.53186 28.35444 15.93729       47.53638 
1 1 1 -20 39 11 o 111.2636 23.87243 448.5754       151.1095 -1.095850      325.7163 571.9022       170.5771 68.85615 32.23752 125.9499 23.96798 -57.09370      40.17115 
1 1 1 -20 39 12 o 88.52617 26.26509 300.2701       146.1790 130.1017       301.0774 352.7563       167.2096 73.65541 33.16039 94.40991 28.11087 -20.75450      43.47221 
1 1 1 -20 39 13 o 74.10551 26.12285 203.6063       141.2006 -282.3536      303.2467 338.1348       159.5523 56.70404 27.69557 92.93665 27.40611 -36.23260      38.96331 
1 1 1 -20 39 14 o 71.51628 29.16598 173.9434       192.9874 -213.2662      346.4268 348.1822       232.3864 62.22672 30.21397 88.88896 33.18946 -26.66224      44.88233 
1 1 1 -20 39 15 o 156.4212 20.72581 844.6998       185.4586 0.000000       0.000000 844.6998       185.4586 ?        ?        156.4212 20.72581 0.000000       20.72581 
1 1 1 -20 40 1  o 53.45652 24.64874 -47.44677      179.5072 -475.8624      438.8457 38.63782       196.7170 63.05876 31.27362 61.23447 27.23973 1.824287       41.47338 
1 1 1 -20 40 2  o 147.0296 21.97108 750.1428       183.6531 530.4221       429.9436 799.1812       203.1161 97.86731 41.93896 149.7609 23.93089 -51.89359      48.28627 
1 1 1 -20 40 3  o 98.58829 28.79064 385.1926       176.8159 52.05890       423.3392 455.5872       194.6027 76.32505 36.04933 106.3218 29.94210 -29.99678      46.86239 
1 1 1 -20 40 4  o 136.6613 29.73592 733.3111       231.5396 0.000000       0.000000 733.3111       231.5396 ?        ?        136.6613 29.73592 0.000000       29.73592 
1 1 1 -20 40 5  o 136.9526 20.75395 642.8613       161.4774 275.0230       334.4094 754.7078       184.4002 83.45234 36.37192 147.2485 22.02894 -63.79612      42.52282 
1 1 1 -20 40 6  o 71.45336 27.22570 179.9643       158.1756 623.8083       336.6604 54.23199       179.1844 108.9135 40.07996 60.44970 26.47910 48.46383       48.03692 
1 1 1 -20 40 7  o 154.3062 18.55738 792.6625       164.5720 1226.959       355.0243 673.7997       185.7325 165.4020 37.47025 136.9753 23.99437 28.42673       44.49437 
1 1 1 -20 40 8  o 41.85846 20.40754 -217.3984      162.5233 153.2078       360.5768 -311.8865      182.0664 77.36497 35.39943 41.36440 20.44775 36.00058       40.88068 
1 1 1 -20 40 9  o 53.18858 23.98398 -5.659560      158.2150 83.42420       336.8291 -30.87895      179.2163 72.98203 33.69210 54.15027 24.84411 18.83175       41.86153 
1 1 1 -20 40 10 o 62.31582 25.87168 102.9181       155.4434 -137.9084      299.3858 191.7997       181.8800 61.10896 29.26844 73.00941 28.80857 -11.90045      41.06794 
1 1 1 -20 40 11 o 66.21558 26.24296 142.7302       151.5376 -326.5587      284.7997 328.0629       178.9762 53.34150 26.21469 89.32905 29.45421 -35.98755      39.43045 
1 1 1 -20 41 1  o 56.99663 25.83825 -0.7245363     186.5323 -167.4199      420.7916 40.04301       208.0954 68.61706 33.31273 61.94437 27.75371 6.672688       43.35904 
1 1 1 -20 41 2  o 76.92477 29.59698 225.9166       188.1444 -386.0889      408.6796 390.5106       211.9397 62.28845 30.76237 95.17422 32.06823 -32.88578      44.43754 
1 1 1 -20 41 3  o 69.27892 28.24473 155.3419       180.9202 41.15976       394.4668 185.7591       203.5969 73.70969 34.80930 73.12930 29.90631 0.5803909      45.89199 
1 1 1 -20 41 4  o 102.2199 27.42001 408.0629       167.7659 562.8282       420.3288 378.7361       182.9719 97.87632 41.69176 96.12785 29.57482 1.748466       51.11627 
1 1 1 -19 0  1  o 477.2958 21.24365 6747.154       591.9691 6747.154       591.9691 6747.154       591.9691 477.2958 21.24365 477.2958 21.24365 -0.000000      0.000000 
1 1 1 -19 0  2  o 940.0223 22.52417 26076.54       1240.149 26076.54       1240.149 26076.54       1240.149 940.0223 22.52417 940.0223 22.52417 -0.000000      0.000000 
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  o 147.7531 29.58309 716.5127       227.4253 716.5127       227.4253 716.5127       227.4253 147.7531 29.58309 147.7531 29.58309 0.000000       0.000000 
1 1 1 -19 0  8  o 395.2918 13.72383 4607.878       317.2882 4607.878       317.2882 4607.878       317.2882 395.2918 13.72383 395.2918 13.72383 -0.000000      0.000000 
1 1 1 -19 0  9  o 271.2689 14.81887 2182.429       234.1385 2182.429       234.1385 2182.429       234.1385 271.2689 14.81887 271.2689 14.81887 0.000000       0.000000 
1 1 1 -19 0  10 o 490.4755 14.32112 7089.738       411.1551 7089.738       411.1551 7089.738       411.1551 490.4755 14.32112 490.4755 14.32112 0.000000       0.000000 
1 1 1 -19 0  11 o 643.3038 16.50343 12201.76       621.7196 12201.76       621.7196 12201.76       621.7196 643.3038 16.50343 643.3038 16.50343 0.000000       0.000000 
1 1 1 -19 0  12 o 115.0846 29.78712 461.8592       173.7285 461.8592       173.7285 461.8592       173.7285 115.0846 29.78712 115.0846 29.78712 -0.000000      0.000000 
1 1 1 -19 0  13 f 304.2342 13.33165 2736.873       236.8294 2736.873       236.8294 2736.873       236.8294 304.2342 13.33165 304.2342 13.33165 0.000000       0.000000 
1 1 1 -19 0  14 f 111.8541 29.15900 437.5410       165.2734 437.5410       165.2734 437.5410       165.2734 111.8541 29.15900 111.8541 29.15900 -0.000000      0.000000 
1 1 1 -19 0  15 o 89.86446 31.44328 313.3367       149.9930 313.3367       149.9930 313.3367       149.9930 89.86446 31.44328 89.86446 31.44328 0.000000       0.000000 
1 1 1 -19 0  16 o 280.9995 13.37766 2338.715       219.3199 2338.715       219.3199 2338.715       219.3199 280.9995 13.37766 280.9995 13.37766 0.000000       0.000000 
1 1 1 -19 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  18 o 184.2929 15.00709 1020.190       159.6466 1020.190       159.6466 1020.190       159.6466 184.2929 15.00709 184.2929 15.00709 -0.000000      0.000000 
1 1 1 -19 0  19 o 272.1626 12.41022 2193.118       197.1474 2193.118       197.1474 2193.118       197.1474 272.1626 12.41022 272.1626 12.41022 -0.000000      0.000000 
1 1 1 -19 0  20 o 281.0872 12.25005 2338.341       201.0684 2338.341       201.0684 2338.341       201.0684 281.0872 12.25005 281.0872 12.25005 0.000000       0.000000 
1 1 1 -19 0  21 o 176.1580 15.60343 936.5370       158.1608 936.5370       158.1608 936.5370       158.1608 176.1580 15.60343 176.1580 15.60343 -0.000000      0.000000 
1 1 1 -19 0  22 o 715.4847 17.68768 15159.39       741.1765 15159.39       741.1765 15159.39       741.1765 715.4847 17.68768 715.4847 17.68768 -0.000000      0.000000 
1 1 1 -19 0  23 o 443.5247 13.18381 5809.585       342.2468 5809.585       342.2468 5809.585       342.2468 443.5247 13.18381 443.5247 13.18381 0.000000       0.000000 
1 1 1 -19 0  24 o 216.6851 14.51445 1402.601       182.5221 1402.601       182.5221 1402.601       182.5221 216.6851 14.51445 216.6851 14.51445 -0.000000      0.000000 
1 1 1 -19 0  25 o 310.2352 13.33185 2850.715       241.5455 2850.715       241.5455 2850.715       241.5455 310.2352 13.33185 310.2352 13.33185 0.000000       0.000000 
1 1 1 -19 0  26 o 326.5180 13.37794 3156.767       255.2013 3156.767       255.2013 3156.767       255.2013 326.5180 13.37794 326.5180 13.37794 -0.000000      0.000000 
1 1 1 -19 0  27 o 180.7929 17.33647 992.4007       179.6903 992.4007       179.6903 992.4007       179.6903 180.7929 17.33647 180.7929 17.33647 0.000000       0.000000 
1 1 1 -19 0  28 o 276.4201 13.34309 2268.396       215.1561 2268.396       215.1561 2268.396       215.1561 276.4201 13.34309 276.4201 13.34309 -0.000000      0.000000 
1 1 1 -19 0  29 o 305.4704 12.99582 2766.672       231.8608 2766.672       231.8608 2766.672       231.8608 305.4704 12.99582 305.4704 12.99582 0.000000       0.000000 
1 1 1 -19 0  30 o 418.0663 13.27415 5175.327       324.7198 5175.327       324.7198 5175.327       324.7198 418.0663 13.27415 418.0663 13.27415 0.000000       0.000000 
1 1 1 -19 0  31 o 134.4546 21.78160 579.0802       158.2410 579.0802       158.2410 579.0802       158.2410 134.4546 21.78160 134.4546 21.78160 0.000000       0.000000 
1 1 1 -19 0  32 o 32.31318 22.26867 -99.19533      140.0689 -99.19533      140.0689 -99.19533      140.0689 32.31318 22.26867 32.31318 22.26867 -0.000000      0.000000 
1 1 1 -19 0  33 o 77.52251 32.22292 256.9373       146.0347 256.9373       146.0347 256.9373       146.0347 77.52251 32.22292 77.52251 32.22292 0.000000       0.000000 
1 1 1 -19 0  34 o 106.0559 27.64653 400.7932       148.5778 400.7932       148.5778 400.7932       148.5778 106.0559 27.64653 106.0559 27.64653 -0.000000      0.000000 
1 1 1 -19 0  35 o 61.46626 31.06731 173.8612       138.9448 173.8612       138.9448 173.8612       138.9448 61.46626 31.06731 61.46626 31.06731 -0.000000      0.000000 
1 1 1 -19 0  36 o 336.8939 12.62803 3385.430       248.7081 3385.430       248.7081 3385.430       248.7081 336.8939 12.62803 336.8939 12.62803 -0.000000      0.000000 
1 1 1 -19 0  37 o 103.0200 27.75357 388.4609       144.8967 388.4609       144.8967 388.4609       144.8967 103.0200 27.75357 103.0200 27.75357 -0.000000      0.000000 
1 1 1 -19 0  38 o 204.7787 14.49555 1274.642       172.0469 1274.642       172.0469 1274.642       172.0469 204.7787 14.49555 204.7787 14.49555 -0.000000      0.000000 
1 1 1 -19 0  39 o 29.96144 20.80138 -97.20082      127.9949 -97.20082      127.9949 -97.20082      127.9949 29.96144 20.80138 29.96144 20.80138 0.000000       0.000000 
1 1 1 -19 0  40 o 137.4051 21.29466 620.0709       159.3387 620.0709       159.3387 620.0709       159.3387 137.4051 21.29466 137.4051 21.29466 -0.000000      0.000000 
1 1 1 -19 0  41 o 41.82582 26.73827 33.70822       146.6116 33.70822       146.6116 33.70822       146.6116 41.82582 26.73827 41.82582 26.73827 -0.000000      0.000000 
1 1 1 -19 0  42 o 114.7593 23.85969 458.6718       141.6271 458.6718       141.6271 458.6718       141.6271 114.7593 23.85969 114.7593 23.85969 -0.000000      0.000000 
1 1 1 -19 0  43 o 44.01572 27.66117 58.55728       149.3649 58.55728       149.3649 58.55728       149.3649 44.01572 27.66117 44.01572 27.66117 -0.000000      0.000000 
1 1 1 -19 0  44 o 47.22501 29.09549 86.48432       157.1846 86.48432       157.1846 86.48432       157.1846 47.22501 29.09549 47.22501 29.09549 0.000000       0.000000 
1 1 1 -19 0  45 o 31.27548 21.99322 -137.7156      156.6249 -137.7156      156.6249 -137.7156      156.6249 31.27548 21.99322 31.27548 21.99322 0.000000       0.000000 
1 1 1 -19 0  46 o 103.2286 29.16417 418.1549       152.8739 418.1549       152.8739 418.1549       152.8739 103.2286 29.16417 103.2286 29.16417 -0.000000      0.000000 
1 1 1 -19 0  47 o 61.69521 33.59426 209.1855       172.0053 209.1855       172.0053 209.1855       172.0053 61.69521 33.59426 61.69521 33.59426 0.000000       0.000000 
1 1 1 -19 1  1  o 789.9529 19.61181 18427.65       908.5933 0.000000       0.000000 18427.65       908.5933 ?        ?        789.9529 19.61181 0.000000       19.61181 
1 1 1 -19 1  2  o 1050.580 20.21854 32608.73       1245.746 30028.43       2016.537 34201.20       1584.187 1000.544 34.41650 1073.732 25.15707 -73.18872      42.63067 
1 1 1 -19 1  3  o 326.3030 12.86991 3136.662       245.8072 3120.191       408.0182 3146.046       307.9662 324.0946 21.58940 326.3624 16.13993 -2.267822      26.95551 
1 1 1 -19 1  4  o 743.4114 15.12636 16276.49       659.4992 15453.23       1092.542 16748.44       827.2081 720.9223 25.88241 753.2455 18.72525 -32.32318      31.94580 
1 1 1 -19 1  5  o 574.7266 15.88187 9740.823       534.8066 9374.604       716.3563 10201.96       803.8430 562.4191 21.75898 586.2608 23.42638 -23.84167      31.97263 
1 1 1 -19 1  6  o 324.1613 12.58933 3095.777       238.8844 2771.897       286.3312 3837.454       433.2955 306.2560 15.99712 359.6434 20.62944 -53.38742      26.10520 
1 1 1 -19 1  7  o 749.5085 13.18880 16532.85       579.7388 17188.46       845.4385 15950.95       796.4974 762.7731 18.89888 734.6880 18.50020 28.08502       26.44665 
1 1 1 -19 1  8  o 252.7375 11.09334 1881.704       164.0300 1914.192       227.2821 1846.388       236.9677 254.3937 15.30458 249.6896 16.27085 4.704056       22.33765 
1 1 1 -19 1  9  o 125.2744 19.49381 474.9153       138.5649 236.0470       194.3497 721.8696       197.6118 91.42532 30.70810 154.4549 22.47403 -63.02959      38.05350 
1 1 1 -19 1  10 o 202.5534 12.03252 1211.523       142.2935 1280.322       197.7222 1137.610       204.9387 207.6491 16.36810 195.3754 18.09103 12.27368       24.39673 
1 1 1 -19 1  11 o 232.7788 11.02598 1597.473       150.0981 1563.844       207.5795 1634.324       217.2952 229.7082 15.49913 234.7905 15.87375 -5.082260      22.18556 
1 1 1 -19 1  12 o 282.8761 9.501680 2354.967       157.4093 2279.569       219.9875 2434.071       225.3293 277.7841 13.54413 287.0836 13.42031 -9.299469      19.06694 
1 1 1 -19 1  13 o 301.5680 9.504812 2676.615       167.8946 2680.644       231.2127 2672.121       244.1965 301.2971 13.11620 300.6909 13.88489 0.6061401      19.10039 
1 1 1 -19 1  14 o 412.3602 9.328894 5000.208       225.6095 5159.360       323.9124 4850.247       314.4195 418.0769 13.22719 405.3432 13.24401 12.73370       18.71797 
1 1 1 -19 1  15 o 574.6549 10.76872 9722.470       362.9291 9594.727       508.5787 9855.025       518.0715 569.5268 15.23997 577.1801 15.31835 -7.653320      21.60806 
1 1 1 -19 1  16 o 341.3066 9.016373 3428.591       180.3211 3526.402       252.6003 3326.953       257.4953 345.5635 12.48446 335.5140 13.11128 10.04953       18.10435 
1 1 1 -19 1  17 f 375.2901 8.828995 4142.770       194.3251 4259.229       277.2376 4030.291       272.4590 379.7493 12.46504 369.3632 12.59601 10.38611       17.72108 
1 1 1 -19 1  18 o 247.6188 9.194638 1806.856       133.2950 1781.259       189.7445 1831.796       187.2946 245.2099 13.24327 248.7409 12.88279 -3.530991      18.47567 
1 1 1 -19 1  19 o 322.7857 8.677658 3067.909       164.1244 3027.161       230.7525 3109.627       233.4856 319.9641 12.31989 324.3039 12.29830 -4.339844      17.40770 
1 1 1 -19 1  20 o 267.2621 9.044985 2105.202       141.5695 2022.751       196.8580 2193.518       203.7381 261.2873 12.88624 272.1362 12.80131 -10.84891      18.16394 
1 1 1 -19 1  21 o 160.3894 11.58585 763.2899       108.2473 897.4659       153.3978 630.2034       152.7736 173.2917 15.24889 144.2572 18.48161 29.03455       23.96036 
1 1 1 -19 1  22 o 225.5064 9.321301 1500.394       123.0123 1611.190       177.2912 1397.539       170.8205 233.0341 13.02413 216.8874 13.49623 16.14667       18.75570 
1 1 1 -19 1  23 o 457.0494 9.520818 6154.368       255.2043 6038.322       358.7169 6273.300       363.1506 451.4363 13.56431 460.1763 13.47037 -8.740021      19.11653 
1 1 1 -19 1  24 o 251.2199 9.542617 1862.004       140.3401 1959.729       197.7675 1762.876       199.1818 257.0420 13.16282 243.5698 14.00264 13.47217       19.21806 
1 1 1 -19 1  25 o 252.9248 10.10550 1888.696       149.5976 1883.188       211.4258 1894.218       211.7004 251.6825 14.38357 252.4266 14.35923 -0.7441101     20.32423 
1 1 1 -19 1  26 o 313.8012 9.392067 2903.624       172.6543 2823.390       243.2070 2985.142       245.1445 308.5273 13.47350 317.3291 13.20113 -8.801880      18.86279 
1 1 1 -19 1  27 o 228.2718 10.29757 1540.207       137.5048 1443.776       191.0711 1643.798       198.0383 220.0344 14.89432 234.9577 14.44150 -14.92331      20.74603 
1 1 1 -19 1  28 f 203.7248 10.90608 1229.437       129.8307 1255.139       184.6583 1204.312       182.5761 204.8143 15.48776 200.5603 15.64574 4.253967       22.01499 
1 1 1 -19 1  29 o 366.3608 8.986964 3957.504       193.0957 4025.852       276.0128 3891.988       270.2358 368.2619 12.79920 362.0990 12.74509 6.162903       18.06258 
1 1 1 -19 1  30 o 455.9597 9.630189 6140.061       257.5205 6141.452       363.1650 6138.654       365.2216 454.1895 13.64927 454.0450 13.73113 0.1445313      19.36096 
1 1 1 -19 1  31 o 160.5156 12.22431 769.2742       114.2125 848.0245       161.4668 690.4185       161.5749 167.3428 16.67394 150.1827 18.75186 17.16005       25.09288 
1 1 1 -19 1  32 o 72.48267 21.60619 163.2316       98.73671 235.3565       141.6723 95.11174       137.6827 86.25818 25.92060 65.54176 25.29205 20.71642       36.21554 
1 1 1 -19 1  33 f 192.0190 11.20673 1098.404       125.6557 1010.076       173.7792 1195.187       181.9072 182.4684 16.41426 198.8595 15.72534 -16.39116      22.73135 
1 1 1 -19 1  34 o 64.67501 22.44648 120.1278       104.0067 -14.84031      146.8224 256.0758       147.3544 54.81626 23.99129 88.92509 26.36722 -34.10883      35.64846 
1 1 1 -19 1  35 o 26.22796 13.24193 -312.1732      96.92702 -176.9202      136.9550 -447.9035      137.1964 41.14997 19.73201 30.86852 15.60490 10.28145       25.15681 
1 1 1 -19 1  36 o 85.08760 19.88469 234.1995       97.43460 305.4989       137.3513 161.9747       138.2397 95.72352 24.39766 73.05408 25.83898 22.66944       35.53728 
1 1 1 -19 1  37 o 84.53015 19.77750 233.0014       96.29566 185.8845       137.0384 278.9596       135.3427 75.90479 25.78524 90.76862 24.74866 -14.86384      35.74038 
1 1 1 -19 1  38 o 29.06984 14.36769 -190.0289      89.75269 -182.0230      127.0391 -198.0072      126.8201 38.19384 18.48598 37.33897 18.16434 0.8548698      25.91669 
1 1 1 -19 1  39 o 31.89427 15.55008 -157.0182      94.38187 -179.4014      134.0408 -135.0084      132.9185 39.64132 19.13817 41.87632 19.90168 -2.235001      27.61062 
1 1 1 -19 1  40 o 130.3336 14.73427 531.5602       110.6526 454.2043       157.6357 606.7006       155.3618 114.5234 24.22726 135.9014 20.09789 -21.37803      31.47833 
1 1 1 -19 1  41 o 80.25083 25.78082 229.0736       137.5891 39.83744       317.4709 272.8375       152.6723 73.69559 33.52624 86.49109 27.08208 -12.79550      43.09812 
1 1 1 -19 1  42 o 222.4706 10.06750 1498.943       131.0140 1366.572       378.1062 1517.005       139.6664 180.8978 36.89117 223.3571 10.69313 -42.45932      38.40965 
1 1 1 -19 1  43 o 163.7001 11.70339 825.2404       111.6186 959.6036       157.7692 690.5931       157.9360 173.3945 15.68387 144.1060 19.16184 29.28848       24.76207 
1 1 1 -19 1  44 o 74.78233 22.62413 200.0894       107.6674 125.0703       157.2418 266.3089       147.7321 65.25745 26.43247 83.57733 26.70049 -18.31989      37.57115 
1 1 1 -19 1  45 o 109.5204 18.84594 405.6856       116.6844 486.5127       167.3722 329.2536       162.7580 113.9759 25.65941 91.16230 27.86474 22.81360       37.87940 
1 1 1 -19 1  46 o 85.68180 22.66445 268.3423       115.6264 401.8342       164.6314 138.3940       162.4316 101.0915 27.18260 66.04939 26.82415 35.04216       38.18938 
1 1 1 -19 1  47 o 62.19355 23.51615 129.6833       117.4607 100.9133       172.4609 154.5764       160.4208 62.57858 26.68242 67.20740 26.88076 -4.628822      37.87515 
1 1 1 -19 2  1  o 1393.452 32.43403 58047.73       2650.596 0.000000       0.000000 58047.73       2650.596 ?        ?        1393.452 32.43403 0.000000       32.43403 
1 1 1 -19 2  2  o 968.0778 23.09845 27754.59       1311.425 0.000000       0.000000 27754.59       1311.425 ?        ?        968.0778 23.09845 0.000000       23.09845 
1 1 1 -19 2  3  o 804.0527 19.90524 19099.50       938.6475 0.000000       0.000000 19099.50       938.6475 ?        ?        804.0527 19.90524 0.000000       19.90524 
1 1 1 -19 2  4  o 775.5526 19.16152 17762.19       871.5487 17385.69       1198.898 18184.15       1269.218 764.2894 26.78835 781.2461 27.74520 -16.95673      38.56698 
1 1 1 -19 2  5  o 254.9706 17.24769 1926.099       256.3941 1449.133       324.1166 2723.654       419.1195 219.4502 25.66775 302.1720 23.84318 -82.72186      35.03328 
1 1 1 -19 2  6  o 339.3775 10.44393 3388.100       207.6253 3374.259       284.6317 3403.840       303.5318 338.2061 14.38282 339.5583 15.28106 -1.352173      20.98515 
1 1 1 -19 2  7  o 397.8843 11.96100 4660.509       278.7927 4316.983       501.1270 4814.489       335.5066 381.0084 22.52710 404.0928 14.17891 -23.08444      26.61789 
1 1 1 -19 2  8  o 360.6824 9.846798 3825.771       208.0961 3958.729       290.3496 3685.338       298.4002 366.4382 13.53371 353.4097 14.42727 13.02850       19.78149 
1 1 1 -19 2  9  o 326.7070 9.718740 3139.546       186.0098 3210.332       256.4856 3061.009       270.1620 329.9388 13.28213 322.0088 14.34158 7.930023       19.54727 
1 1 1 -19 2  10 o 58.82632 23.44655 53.06767       121.6225 51.96280       166.9044 54.31858       177.5931 66.53451 27.12758 68.49512 27.96165 -1.960617      38.95844 
1 1 1 -19 2  11 o 312.2362 9.556998 2868.320       174.8009 2902.114       245.9139 2833.806       248.5183 313.5728 13.40285 309.8069 13.71179 3.765930       19.17419 
1 1 1 -19 2  12 o 101.7201 20.11061 317.3111       115.7193 308.5803       158.2484 327.3454       169.6496 99.84661 26.56260 102.7986 27.57276 -2.951958      38.28614 
1 1 1 -19 2  13 o 341.8620 9.268229 3438.436       185.6510 3514.018       262.2076 3362.458       262.8940 345.0567 12.98013 337.4668 13.30919 7.589935       18.59081 
1 1 1 -19 2  14 o 586.9738 10.86673 10141.93       374.0830 10146.26       527.6562 10137.57       530.4211 585.7827 15.37232 585.5038 15.46040 0.2789307      21.80211 
1 1 1 -19 2  15 o 134.5500 14.44101 540.7334       112.1735 596.5906       152.3134 474.5303       165.8203 140.5373 18.96320 124.0433 23.65676 16.49404       30.31906 
1 1 1 -19 2  16 o 561.3682 14.79555 9322.741       486.6881 10251.78       711.2811 8504.853       667.3767 586.2471 20.72017 533.6119 21.36851 52.63525       29.76472 
1 1 1 -19 2  17 o 298.2693 8.783138 2619.039       153.4742 2632.625       220.1223 2606.187       214.0939 298.4257 12.60540 296.9743 12.31910 1.451416       17.62544 
1 1 1 -19 2  18 o 310.9885 8.769115 2847.507       159.7780 2627.948       223.0385 3078.960       228.9997 298.0623 12.78892 322.8080 12.11746 -24.74570      17.61787 
1 1 1 -19 2  19 o 149.4290 12.29776 663.6596       106.8204 649.8220       147.8468 678.7720       154.5068 146.8430 17.51228 150.0304 17.91324 -3.187439      25.05122 
1 1 1 -19 2  20 o 172.0195 11.39075 876.9045       114.2688 839.5040       159.5653 916.2758       163.7156 167.3295 16.47318 174.9552 16.13732 -7.625656      23.06033 
1 1 1 -19 2  21 o 401.7955 8.915805 4752.961       210.0952 5028.564       307.3554 4511.241       287.8426 412.2379 12.72809 390.4764 12.58570 21.76147       17.89983 
1 1 1 -19 2  22 o 677.5562 11.95449 13561.16       475.0363 13443.68       668.6954 13680.85       674.9537 671.9153 16.98289 677.8140 16.99243 -5.898682      24.02418 
1 1 1 -19 2  23 o 259.7415 9.092547 1989.222       138.2952 2078.187       193.7831 1896.882       197.4256 264.8549 12.51085 252.8275 13.36206 12.02737       18.30481 
1 1 1 -19 2  24 o 82.14674 22.28120 209.6786       110.0378 388.6055       153.9331 22.70262       157.3574 111.4097 24.24907 61.36852 25.79358 50.04123       35.40234 
1 1 1 -19 2  25 o 494.5675 10.09696 7210.195       292.8644 7380.783       421.8705 7051.515       406.8817 498.8234 14.43573 487.6348 14.24257 11.18857       20.27909 
1 1 1 -19 2  26 o 334.8716 9.315203 3306.040       182.7675 3562.208       268.1218 3083.694       249.7949 346.6869 13.21112 322.5208 13.23423 24.16602       18.69969 
1 1 1 -19 2  27 o 258.7917 9.696750 1977.098       146.9123 2112.722       209.5700 1846.046       206.0066 266.7272 13.44043 249.1060 14.15919 17.62123       19.52250 
1 1 1 -19 2  28 o 208.5517 10.37851 1287.068       126.5414 1231.484       181.3760 1339.781       176.6313 202.8901 15.35696 211.9429 14.29374 -9.052811      20.97968 
1 1 1 -19 2  29 o 325.2212 8.995755 3121.103       171.4153 3099.637       246.5096 3141.201       238.5234 322.9888 13.04036 325.3146 12.52533 -2.325806      18.08134 
1 1 1 -19 2  30 o 158.5310 12.35903 750.0495       114.0003 680.2516       156.8893 828.1253       165.9321 149.3587 18.29207 165.2793 17.37801 -15.92064      25.23084 
1 1 1 -19 2  31 o 79.41888 21.36559 198.6573       101.6787 252.7038       146.5265 148.4605       141.2115 89.26630 26.24764 73.26948 26.09525 15.99682       37.01217 
1 1 1 -19 2  32 o 140.3463 13.44561 592.1780       109.3187 664.0720       153.1446 517.4845       156.0978 147.3000 18.10815 128.6664 21.44030 18.63354       28.06406 
1 1 1 -19 2  33 o 52.63542 21.28951 42.06293       101.8406 96.39896       142.7139 -14.31558      145.3715 66.16055 25.69028 54.82104 23.93552 11.33951       35.11267 
1 1 1 -19 2  34 o 86.06663 21.02748 236.8627       105.2175 173.0826       147.6255 302.7138       150.0031 76.50223 26.73038 96.21198 25.98001 -19.70975      37.27565 
1 1 1 -19 2  35 o 74.07240 21.55209 175.5065       99.24380 252.2617       141.1126 100.3843       139.6035 87.64021 25.75513 65.46198 25.41162 22.17824       36.18117 
1 1 1 -19 2  36 o 30.66299 15.03974 -174.6723      92.29661 -145.8212      136.4344 -199.0166      125.3261 42.54503 20.20327 37.26829 18.11329 5.276745       27.13418 
1 1 1 -19 2  37 o 230.1664 9.327611 1581.705       125.6499 1620.963       181.0920 1545.261       174.4839 230.8214 13.43550 225.4598 13.25427 5.361633       18.87296 
1 1 1 -19 2  38 o 110.8647 16.62502 388.2542       104.7662 420.4332       145.7137 353.8180       150.7375 112.1080 22.93604 101.3099 25.41586 10.79808       34.23489 
1 1 1 -19 2  39 o 163.6965 11.64724 814.1269       111.0879 803.8631       150.6236 826.3682       164.4954 160.0644 16.27121 161.3887 17.66759 -1.324326      24.01865 
1 1 1 -19 2  40 o 44.16137 19.59299 -14.79271      101.0991 -61.25173      140.6003 34.94433       145.4759 47.88939 21.98409 56.72983 24.35439 -8.840443      32.80909 
1 1 1 -19 2  41 o 190.0958 10.11189 1093.092       112.3286 1037.333       339.1295 1099.963       119.0487 157.8192 37.24410 190.3429 10.70760 -32.52364      38.75275 
1 1 1 -19 2  42 o 72.71747 22.24126 183.1176       103.6718 -36.44007      323.9165 208.1751       109.4278 69.59193 32.43898 77.10089 22.68604 -7.508965      39.58464 
1 1 1 -19 2  43 f 226.2778 10.37214 1558.272       137.2791 945.9452       343.6182 1674.567       149.7489 142.1933 39.69572 234.1105 10.93690 -91.91724      41.17482 
1 1 1 -19 2  44 o 261.6682 11.49902 2106.189       176.0356 1688.899       376.8705 2222.642       199.0890 204.4161 32.52452 267.4178 12.73079 -63.00169      34.92732 
1 1 1 -19 2  45 o 53.64936 21.80131 69.17543       107.3715 4.655809       153.3369 131.2456       150.3981 53.22320 23.83676 64.99132 26.01630 -11.76812      35.28511 
1 1 1 -19 2  46 o 65.85571 23.81164 152.0520       118.0694 267.6107       162.1387 21.59730       172.2722 81.77166 28.04136 56.48201 25.28326 25.28965       37.75660 
1 1 1 -19 2  47 o 51.53178 22.41932 32.92620       126.5733 86.88388       186.5924 -13.06489      172.2678 62.42734 27.18927 53.64907 24.51766 8.778267       36.61110 
1 1 1 -19 3  1  o 813.9797 16.30005 19526.50       778.1315 18916.17       1305.406 19862.89       969.1245 796.8222 27.97744 819.8776 20.15487 -23.05542      34.48124 
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  o 400.2241 10.22401 4709.979       239.7835 4677.643       333.1940 4744.718       345.3424 398.3271 14.28600 401.1130 14.70511 -2.785858      20.50196 
1 1 1 -19 3  6  o 313.0809 10.59268 2884.271       194.2169 2937.003       264.2270 2822.297       286.4446 315.4862 14.31791 309.0301 15.85784 6.456116       21.36525 
1 1 1 -19 3  7  o 89.74707 33.25412 190.9838       232.4435 328.3877       362.8042 95.31077       302.7385 113.9509 41.66067 89.21162 36.47377 24.73927       55.37100 
1 1 1 -19 3  8  o 70.65832 25.74189 121.7905       138.3377 262.0879       182.5765 -67.33000      211.9773 94.10112 29.63715 64.14057 28.41848 29.96055       41.06057 
1 1 1 -19 3  9  o 173.7219 14.14937 894.9526       142.9118 796.8619       191.6814 1017.724       214.4446 162.7924 20.53265 184.3484 20.16315 -21.55597      28.77746 
1 1 1 -19 3  10 o 161.6800 14.40702 776.5261       135.1801 759.2976       186.5721 795.5657       196.1332 158.8085 20.51041 162.5019 21.07583 -3.693466      29.40863 
1 1 1 -19 3  11 o 318.7352 9.275566 2988.425       173.2043 2874.943       236.6555 3119.334       254.1780 312.1512 12.95526 325.1079 13.35937 -12.95673      18.60945 
1 1 1 -19 3  12 o 76.34426 23.43865 173.8555       114.9975 139.8681       153.7384 217.0273       173.2699 74.86147 27.15694 87.11432 28.99020 -12.25285      39.72318 
1 1 1 -19 3  13 o 443.4591 9.555727 5782.862       248.5237 5794.296       350.4431 5771.293       352.4970 443.0790 13.50184 442.1750 13.60906 0.9039917      19.17045 
1 1 1 -19 3  14 o 435.1065 9.483233 5568.011       241.9929 5415.311       335.9729 5732.640       348.8494 428.2631 13.39298 440.6164 13.51576 -12.35333      19.02755 
1 1 1 -19 3  15 o 230.4718 9.633453 1565.422       129.9247 1500.366       180.6304 1635.161       187.0186 225.0337 13.75218 234.9811 13.62916 -9.947403      19.36173 
1 1 1 -19 3  16 o 401.2177 12.69850 4753.828       298.4254 5212.285       411.9558 4247.577       432.8970 419.0505 16.79634 377.3691 19.62741 41.68140       25.83316 
1 1 1 -19 3  17 o 202.7027 10.29308 1213.089       121.9639 1184.254       169.4639 1244.076       175.6694 199.5900 14.57785 204.5636 14.74143 -4.973694      20.73218 
1 1 1 -19 3  18 o 127.1004 13.70473 482.9235       100.5440 325.7676       132.3384 697.4876       154.6319 102.3539 22.64640 152.2355 17.64583 -49.88161      28.70949 
1 1 1 -19 3  19 o 220.1222 10.33052 1430.958       132.9913 1238.218       196.5899 1593.592       180.5841 203.5426 16.61292 231.7926 13.34037 -28.24997      21.30621 
1 1 1 -19 3  20 o 196.7351 10.23484 1143.791       117.6840 1259.411       168.5327 1033.765       164.4048 205.7885 14.04833 186.1180 15.19386 19.67053       20.69321 
1 1 1 -19 3  21 o 284.8002 8.963420 2390.499       149.5283 2478.143       214.1155 2307.065       208.9106 289.2653 12.65182 279.0501 12.79929 10.21515       17.99695 
1 1 1 -19 3  22 o 374.2420 8.947009 4123.981       196.3726 4057.651       271.2943 4196.982       284.6095 370.2872 12.51053 376.4875 12.90896 -6.200256      17.97650 
1 1 1 -19 3  23 o 286.7403 9.209387 2424.047       154.6701 2575.319       222.5547 2282.727       215.1084 294.8079 12.90328 277.4410 13.25851 17.36694       18.50089 
1 1 1 -19 3  24 o 249.9644 9.760399 1843.964       142.8107 1871.028       202.7221 1817.299       201.2159 250.9967 13.82494 247.3325 13.92801 3.664261       19.62443 
1 1 1 -19 3  25 o 472.9283 9.786940 6590.985       271.4518 6804.195       394.7090 6399.647       373.9160 479.0654 14.06378 464.7112 13.73464 14.35428       19.65783 
1 1 1 -19 3  26 o 255.5176 9.802917 1927.144       146.6292 2053.011       215.0121 1817.716       200.4796 262.8639 13.99749 247.3269 13.87694 15.53703       19.71038 
1 1 1 -19 3  27 o 265.7856 9.433528 2084.619       146.8138 2141.226       214.4864 2034.716       201.3846 268.4544 13.66817 261.8013 13.15826 6.653137       18.97258 
1 1 1 -19 3  28 o 221.3552 10.11723 1449.024       130.9942 1178.755       187.1549 1708.584       183.4094 198.2246 16.24107 239.7476 13.09389 -41.52303      20.86198 
1 1 1 -19 3  29 o 239.3824 9.571887 1693.711       134.1108 1674.875       189.3990 1712.651       189.9247 237.0754 13.68009 239.7752 13.56128 -2.699860      19.26274 
1 1 1 -19 3  30 o 333.6673 11.01879 3299.258       215.3286 3541.935       256.9099 2726.232       394.7780 345.1409 12.71384 298.1664 22.74755 46.97452       26.05941 
1 1 1 -19 3  31 o 129.6605 13.90190 506.5232       104.0654 613.3841       147.9994 402.0226       146.3558 141.5713 18.24926 112.7618 22.91311 28.80949       29.29243 
1 1 1 -19 3  32 o 81.03209 21.59992 207.8014       104.5118 261.8673       148.2803 154.4273       147.3285 90.51839 26.34577 74.50225 26.64117 16.01614       37.46800 
1 1 1 -19 3  33 o 129.6461 15.32014 511.1567       114.2381 470.1620       161.2696 552.4449       161.8460 121.4656 23.48821 132.6869 21.53578 -11.22132      31.86669 
1 1 1 -19 3  34 o 137.2946 13.66967 570.0232       108.6073 407.7786       159.0199 711.8699       148.6880 112.0122 24.85631 152.4339 16.91647 -40.42170      30.06665 
1 1 1 -19 3  35 o 73.57864 21.14458 173.3204       96.07483 195.8862       134.5881 149.8736       137.1899 78.51397 25.52155 71.78243 25.70358 6.731537       36.22187 
1 1 1 -19 3  36 o 38.65059 17.66407 -50.48526      89.43049 -116.2233      129.6323 9.214640       123.5355 42.93194 20.17548 52.02902 22.39099 -9.097080      30.13978 
1 1 1 -19 3  37 o 42.74629 18.78535 -12.06228      90.84805 97.58710       133.4662 -106.7265      124.0113 63.29885 24.76802 42.14792 19.78371 21.15093       31.69937 
1 1 1 -19 3  38 o 46.68980 19.82624 16.28993       94.54230 -25.08561      134.5907 56.59157       132.8326 50.25963 22.43330 57.97111 23.97820 -7.711479      32.83606 
1 1 1 -19 3  39 f 169.7305 11.23936 873.1465       111.2497 960.9692       156.1423 782.5977       158.5471 175.7260 15.30323 157.0766 17.50787 18.64934       23.25327 
1 1 1 -19 3  40 o 55.19093 20.99758 81.43187       93.99602 277.8551       311.3586 61.73524       98.59624 88.92847 36.74001 52.87611 21.09883 36.05236       42.36731 
1 1 1 -19 3  41 o 62.24167 21.64004 123.7912       96.68831 -98.18449      321.8796 145.8071       101.3698 67.62698 31.78415 66.31752 22.17634 1.309456       38.75593 
1 1 1 -19 3  42 o 252.9962 8.942671 1925.448       132.4793 2283.753       384.0974 1877.067       141.1404 252.8921 26.28016 249.2609 9.673236 3.631226       28.00390 
1 1 1 -19 3  43 f 126.8370 15.48487 515.1725       112.8018 403.1043       349.9104 528.1700       119.1636 93.28848 38.78086 127.9171 16.25044 -34.62866      42.04797 
1 1 1 -19 3  44 o 53.45557 23.70664 12.53294       147.8553 7.945515       351.4500 13.51947       162.9799 71.12621 33.36006 55.50515 24.73615 15.62106       41.53036 
1 1 1 -19 3  45 o 39.58581 18.41387 -61.14776      103.5193 122.5939       145.3946 -250.0526      147.4232 63.64074 25.54419 37.84383 18.64938 25.79691       31.62759 
1 1 1 -19 3  46 o 159.8556 13.34699 806.9097       123.9891 831.4800       184.8780 786.8248       167.1529 154.7590 20.90342 152.3890 19.12292 2.369980       28.33088 
1 1 1 -19 3  47 o 39.08628 18.78943 -132.5358      125.9564 -356.0130      181.2445 76.21051       175.1692 39.34495 19.60926 60.59060 26.36718 -21.24565      32.85957 
1 1 1 -19 4  1  o 584.1769 16.08064 10064.91       550.4081 10116.79       764.9985 10009.23       792.5201 584.1188 22.37240 580.7250 23.31703 3.393860       32.31421 
1 1 1 -19 4  2  o 782.4725 27.93749 18249.72       1279.999 0.000000       0.000000 18249.72       1279.999 ?        ?        782.4725 27.93749 0.000000       27.93749 
1 1 1 -19 4  3  o 955.0391 22.83151 27021.92       1278.811 0.000000       0.000000 27021.92       1278.811 ?        ?        955.0391 22.83151 0.000000       22.83151 
1 1 1 -19 4  4  o 558.1387 15.80459 9188.121       516.8191 0.000000       0.000000 9188.121       516.8191 ?        ?        558.1387 15.80459 0.000000       15.80459 
1 1 1 -19 4  5  o 637.1661 11.80237 11939.18       441.0345 11987.59       623.4954 11890.70       623.9387 637.3271 16.69531 634.7247 16.77594 2.602417       23.66782 
1 1 1 -19 4  6  o 178.7455 15.20811 948.2097       157.9143 1003.088       219.5614 889.4006       227.2880 182.9607 20.83264 171.6837 23.16385 11.27701       31.15385 
1 1 1 -19 4  7  o 270.8768 12.92749 2164.417       204.7771 2288.063       249.2900 1907.886       359.0733 278.1956 15.33869 252.2492 24.58340 25.94635       28.97618 
1 1 1 -19 4  8  o 69.68447 25.55228 116.4747       136.6383 -19.75084      181.8902 292.9231       207.0088 62.50269 27.03522 99.50300 31.58595 -37.00031      41.57614 
1 1 1 -19 4  9  o 229.6231 11.54187 1555.027       154.9343 1484.492       209.1626 1640.783       230.6271 223.7356 16.04694 235.1487 16.83449 -11.41307      23.25735 
1 1 1 -19 4  10 o 445.2399 9.769705 5827.400       255.1091 5798.356       359.3979 5856.894       362.1758 443.3698 13.83856 445.5973 13.87573 -2.227509      19.59698 
1 1 1 -19 4  11 o 55.07538 22.42443 35.47746       113.8591 68.79224       150.4922 -9.120633      174.1221 65.62692 26.10617 61.91943 26.61437 3.707489       37.28078 
1 1 1 -19 4  12 o 123.0826 16.99356 456.2339       119.3984 413.4775       159.4462 510.8170       180.1534 115.6623 24.28040 128.7646 24.75490 -13.10236      34.67482 
1 1 1 -19 4  13 o 193.3797 11.17056 1104.519       126.1491 1073.484       166.5742 1146.256       193.1692 190.0703 15.06635 196.1124 16.96166 -6.042053      22.68685 
1 1 1 -19 4  14 o 210.8972 10.53396 1312.372       129.8781 1443.552       182.3706 1177.369       185.0087 220.6814 14.16570 198.8925 15.99551 21.78899       21.36641 
1 1 1 -19 4  15 o 312.8286 10.66167 2884.773       195.3201 3124.225       234.9968 2349.732       351.2746 325.2835 12.34064 279.9434 21.56170 45.34009       24.84348 
1 1 1 -19 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 4  17 o 320.4591 9.700467 3025.715       182.1023 2819.453       222.3345 3446.080       317.4026 308.8840 12.29787 340.6835 15.92990 -31.79953      20.12459 
1 1 1 -19 4  18 o 163.6106 11.59302 793.4528       110.5190 802.8136       150.8165 782.5959       162.4230 163.8147 15.89769 161.3948 17.43607 2.419952       23.59562 
1 1 1 -19 4  19 o 147.4101 12.87667 646.9303       110.2056 851.1404       152.5691 424.1335       159.3612 168.7130 15.59587 116.6657 24.08936 52.04725       28.69718 
1 1 1 -19 4  20 o 91.12964 18.86048 256.5649       97.47619 290.6137       129.8082 212.5401       147.6045 96.41258 23.23275 84.10934 26.66825 12.30324       35.36886 
1 1 1 -19 4  21 o 276.4032 9.130818 2252.259       147.8111 2514.432       216.2097 2022.205       202.5327 291.3628 12.68330 261.1057 13.26950 30.25708       18.35608 
1 1 1 -19 4  22 o 280.8192 9.068229 2324.688       149.1523 2390.477       211.5419 2259.650       210.3297 284.0500 12.73081 276.0852 13.02667 7.964844       18.21449 
1 1 1 -19 4  23 o 65.48678 22.49423 118.8414       104.3472 87.03214       141.1038 157.2311       155.0136 65.82428 25.54904 76.69131 27.33792 -10.86703      37.41812 
1 1 1 -19 4  24 o 63.30544 22.30664 106.8809       102.9509 82.96855       142.8138 132.7508       148.5445 65.58532 25.63295 72.71597 26.64582 -7.130653      36.97361 
1 1 1 -19 4  25 o 188.5217 11.32626 1052.791       124.6496 1136.437       171.5894 959.3271       181.3801 195.1510 15.10996 178.6419 17.53816 16.50914       23.14947 
1 1 1 -19 4  26 o 355.2332 9.216344 3719.782       191.8473 3818.061       279.1786 3631.848       264.0770 358.8960 13.28658 350.1359 12.88203 8.760071       18.50622 
1 1 1 -19 4  27 o 211.5063 10.45123 1323.264       129.2391 1302.382       189.9649 1341.258       176.3383 208.7118 15.63302 212.1597 14.25480 -3.447922      21.15634 
1 1 1 -19 4  28 o 73.37015 21.62179 165.5134       99.33716 69.69603       143.3164 254.1132       137.8130 63.81585 25.44638 89.93856 25.15059 -26.12271      35.77807 
1 1 1 -19 4  29 o 273.0446 9.294399 2202.089       148.6181 2144.999       210.5863 2258.738       209.7717 268.4276 13.41936 275.5900 13.01553 -7.162354      18.69447 
1 1 1 -19 4  30 o 118.8125 15.24302 428.0253       103.7706 328.5549       145.1671 531.9667       148.3937 101.5097 24.63659 131.3114 19.89133 -29.80175      31.66428 
1 1 1 -19 4  31 o 111.2748 16.13512 378.3437       102.2297 186.6311       142.6250 580.9091       146.6064 78.89662 26.30310 137.5685 18.65117 -58.67188      32.24468 
1 1 1 -19 4  32 o 178.2192 11.09523 945.5214       115.3936 784.3597       159.8972 1120.683       166.6976 160.5029 17.25743 192.9977 14.84132 -32.49486      22.76145 
1 1 1 -19 4  33 o 144.5550 12.86348 627.9603       107.9163 597.3235       153.3944 657.9836       151.8507 138.8651 19.36066 146.3318 18.07809 -7.466614      26.48873 
1 1 1 -19 4  34 o 35.67822 16.91950 -108.4108      95.05551 -194.2281      131.5909 -14.76957      137.4586 39.21894 18.94120 53.00904 23.20666 -13.79010      29.95527 
1 1 1 -19 4  35 o 179.0135 10.73950 958.6350       112.2326 1052.092       165.4582 878.9880       152.7447 185.7182 15.32722 169.5641 15.53200 16.15405       21.82125 
1 1 1 -19 4  36 o 113.6642 14.93316 399.2120       97.14103 226.5829       140.1373 558.8845       134.7758 82.67950 25.95485 133.5683 17.63562 -50.88879      31.37944 
1 1 1 -19 4  37 o 114.6923 14.95141 408.2913       98.17777 453.2204       143.7292 368.9904       134.4259 117.6675 21.62416 105.5157 22.41527 12.15186       31.14561 
1 1 1 -19 4  38 o 44.93892 19.50844 0.5578136E-01  95.40557 -44.03712      132.3936 47.68821       137.6049 48.25149 21.83144 57.66154 24.17058 -9.410053      32.57037 
1 1 1 -19 4  39 o 93.96188 24.10399 304.7395       133.4661 832.2310       359.6584 220.4986       143.7288 138.7227 41.20861 80.06229 26.39483 58.66042       48.93707 
1 1 1 -19 4  40 o 38.21456 17.67754 -59.47255      93.41425 347.0045       322.2071 -96.77369      97.60636 94.07309 37.93285 36.31800 17.19999 57.75509       41.65022 
1 1 1 -19 4  41 o 57.33068 21.10205 96.78341       93.33083 407.7909       336.3197 70.83450       97.14636 97.29300 38.91885 53.70955 21.09668 43.58345       44.26902 
1 1 1 -19 4  42 o 58.47824 22.10541 99.85616       103.7743 20.29121       343.4235 107.8513       108.8634 73.18594 33.86878 60.13651 22.66112 13.04943       40.75071 
1 1 1 -19 4  43 o 118.3959 17.77152 461.3480       119.5931 412.4685       360.4030 467.3962       126.7764 93.64413 39.17589 118.3746 18.89619 -24.73045      43.49501 
1 1 1 -19 4  44 o 62.63538 22.72454 129.4383       107.6537 463.0602       358.7797 96.42944       112.8538 95.38003 39.42525 58.14043 22.76772 37.23960       45.52713 
1 1 1 -19 4  45 o 68.50417 22.58973 167.1293       105.2735 37.10067       138.4952 345.0709       162.0145 54.00278 23.47333 93.39647 27.63626 -39.39368      36.25962 
1 1 1 -19 4  46 o 65.37651 23.94643 148.6631       119.9526 63.21022       175.3450 223.8316       164.4554 60.01484 26.24354 75.92786 28.00034 -15.91303      38.37633 
1 1 1 -19 5  1  o 939.6841 22.40795 26155.19       1234.908 24562.22       1651.801 28173.77       1859.424 905.9033 31.13662 969.2501 32.75793 -63.34680      45.19482 
1 1 1 -19 5  2  o 381.4893 11.99621 4284.250       268.0629 4435.935       426.4366 4185.153       344.6781 387.1017 18.84019 376.5332 15.64252 10.56845       24.48757 
1 1 1 -19 5  3  o 1292.031 30.20617 49867.71       2288.860 0.000000       0.000000 49867.71       2288.860 ?        ?        1292.031 30.20617 0.000000       30.20617 
1 1 1 -19 5  4  o 457.3854 15.16713 6170.745       406.2891 0.000000       0.000000 6170.745       406.2891 ?        ?        457.3854 15.16713 0.000000       15.16713 
1 1 1 -19 5  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 5  6  o 298.9276 10.72619 2630.312       187.7403 2642.535       254.4430 2615.704       278.1474 299.1470 14.54653 297.4027 16.00599 1.744263       21.62853 
1 1 1 -19 5  7  o 385.3943 11.53697 4372.560       260.4705 4473.618       315.6051 4156.694       461.2649 389.4938 13.83833 374.0202 21.11407 15.47360       25.24487 
1 1 1 -19 5  8  o 100.7518 24.87389 313.8754       146.0816 231.5148       193.7631 422.3380       222.3571 90.76202 30.66230 116.6842 31.68348 -25.92223      44.09103 
1 1 1 -19 5  9  o 124.3815 18.53766 467.3310       131.1022 520.2131       167.4067 383.4600       210.8260 130.5393 22.68973 111.3680 31.09447 19.17126       38.49273 
1 1 1 -19 5  10 o 71.72723 24.50332 141.3342       123.7779 105.7124       161.7948 191.6041       192.2033 71.66506 27.47879 85.56412 30.44749 -13.89906      41.01382 
1 1 1 -19 5  11 o 749.4295 13.00787 16548.65       571.7252 16574.92       809.4392 16522.50       807.6468 748.2188 18.44612 747.0394 18.43433 1.179382       26.07842 
1 1 1 -19 5  12 o 291.6766 9.416277 2504.015       160.8651 2548.987       221.1295 2453.462       234.4497 293.8185 12.86385 288.0799 13.91788 5.738556       18.95220 
1 1 1 -19 5  13 o 314.5049 9.280674 2911.135       170.9945 2929.980       241.3143 2892.130       242.3344 314.9556 13.09276 312.8863 13.23610 2.069336       18.61760 
1 1 1 -19 5  14 f 99.59273 19.70634 304.7717       111.0254 339.2030       148.1767 260.6974       167.6470 104.4245 24.60216 92.70187 28.26939 11.72260       37.47565 
1 1 1 -19 5  15 o 473.6354 13.59733 6628.524       377.3103 6628.524       377.3103 0.000000       0.000000 473.6354 13.59733 ?        ?        0.000000       13.59733 
1 1 1 -19 5  16 o 230.0929 12.95802 1567.568       174.1542 1758.027       213.8390 1192.403       300.1213 243.3168 15.05906 197.3025 26.61477 46.01425       30.57975 
1 1 1 -19 5  17 o 310.0717 12.19781 2841.131       221.3841 3122.458       286.6978 2425.637       348.4189 324.4317 15.10932 284.2576 21.04900 40.17407       25.91046 
1 1 1 -19 5  18 o 195.2937 13.51764 1132.802       153.8691 1146.219       184.1078 1101.719       280.2195 195.9220 16.16655 189.4189 25.90244 6.503098       30.53349 
1 1 1 -19 5  19 o 336.5266 8.842319 3335.562       174.3651 3354.752       251.6432 3317.839       241.8286 336.6958 12.76687 334.9376 12.33206 1.758179       17.75028 
1 1 1 -19 5  20 o 147.5202 12.73096 647.9203       109.0679 625.6721       145.5840 676.3820       164.6626 143.9512 17.61070 149.3528 19.24573 -5.401627      26.08706 
1 1 1 -19 5  21 o 159.9932 12.34919 760.8713       114.9790 750.4436       159.2866 772.2155       166.1395 157.8209 17.50330 159.9950 18.01879 -2.174088      25.12055 
1 1 1 -19 5  22 o 189.0144 10.91784 1057.550       120.5120 1038.251       165.3460 1079.420       176.0130 186.4447 15.25469 189.9714 15.94514 -3.526779      22.06702 
1 1 1 -19 5  23 o 158.5144 12.57092 747.3665       115.9092 746.2305       156.0811 748.7632       173.0733 157.4380 17.18261 157.2171 19.16633 0.2209015      25.74083 
1 1 1 -19 5  24 o 51.81400 21.49051 22.85006       107.1067 31.00770       152.8528 14.98074       150.1274 61.41925 25.59008 59.32835 25.07890 2.090908       35.83021 
1 1 1 -19 5  25 o 244.4671 10.11355 1764.818       144.6890 1619.858       202.7010 1915.405       206.5970 233.2287 14.89703 253.9255 13.92621 -20.69679      20.39267 
1 1 1 -19 5  26 o 56.21412 22.25837 54.29596       108.9191 -113.2748      153.3848 224.7376       154.6931 49.37350 22.77278 86.16372 27.29885 -36.79022      35.55034 
1 1 1 -19 5  27 o 91.26201 20.08319 259.3810       104.5697 259.7099       144.5547 259.0200       151.4544 91.06279 25.86168 91.09692 26.65801 -0.3412628E-01 37.14130 
1 1 1 -19 5  28 o 120.8804 14.71033 440.5891       102.1420 279.8278       142.7428 609.2808       146.2212 94.12193 25.31228 141.6003 18.01470 -47.47834      31.06832 
1 1 1 -19 5  29 o 137.6192 18.00416 577.3610       141.8310 661.4194       161.4254 292.7974       297.0102 147.0930 19.16791 102.0590 37.63054 45.03401       42.23111 
1 1 1 -19 5  30 o 231.3993 9.793326 1585.038       132.6049 1555.554       186.0206 1615.501       189.0803 228.1287 13.97071 232.5109 13.92991 -4.382217      19.72874 
1 1 1 -19 5  31 o 233.9766 9.461020 1620.450       129.5580 1613.479       186.8527 1626.905       179.7964 232.2646 13.77913 233.4231 13.18733 -1.158478      19.07276 
1 1 1 -19 5  32 o 96.39790 18.35980 289.6450       100.0078 397.8214       144.7435 190.8304       138.3386 111.9567 22.81944 79.06798 25.88620 32.88876       34.50829 
1 1 1 -19 5  33 o 223.8137 10.07203 1487.676       131.8683 1613.273       193.3013 1378.344       180.3513 231.6331 14.29900 213.9807 14.45609 17.65245       20.33322 
1 1 1 -19 5  34 o 27.05968 13.60502 -286.6808      96.62849 -314.1468      137.7010 -260.0350      135.6292 35.23717 17.48304 36.96004 18.14927 -1.722878      25.20025 
1 1 1 -19 5  35 o 29.75328 14.64690 -182.5457      90.13652 -122.3337      127.2496 -243.1810      127.6962 42.19970 19.88034 35.81915 17.59335 6.380554       26.54720 
1 1 1 -19 5  36 o 321.0276 8.753273 3064.986       164.6485 3006.732       241.1246 3115.876       225.3694 315.2627 13.06957 321.7393 11.96458 -6.476685      17.71905 
1 1 1 -19 5  37 o 107.0512 15.45591 358.0027       94.23038 419.3285       134.6069 299.0683       131.9564 113.3247 21.02713 94.08969 23.87740 19.23501       31.81620 
1 1 1 -19 5  38 o 39.72574 18.09760 -44.82950      92.91475 -142.6733      370.1165 -38.24843      95.98867 72.70647 34.14347 41.07809 18.58715 31.62838       38.87492 
1 1 1 -19 5  39 o 61.66332 21.63870 116.9416       96.80730 -471.6479      345.3969 167.1207       100.8495 58.84679 28.91005 70.86662 21.98331 -12.01984      36.31882 
1 1 1 -19 5  40 o 94.67247 19.53695 297.9325       104.8762 229.5771       326.3171 305.8065       110.7521 85.69802 36.62604 95.46758 20.40002 -9.769554      41.92407 
1 1 1 -19 5  41 o 62.23447 22.28482 121.9446       103.1226 -83.30415      354.4149 140.9284       107.7861 70.57758 33.22721 65.61966 22.84620 4.957924       40.32365 
1 1 1 -19 5  42 o 138.8183 13.55137 602.5168       108.9235 343.7393       354.6023 629.4773       114.4569 90.67218 38.44555 141.6505 13.95879 -50.97835      40.90120 
1 1 1 -19 5  43 o 75.99166 23.62475 207.4312       116.4010 -116.5296      352.8222 246.9988       123.3047 67.20719 32.07571 82.42182 24.03492 -15.21463      40.08153 
1 1 1 -19 5  44 o 65.93908 22.90769 149.9115       108.3374 -160.9972      364.1342 180.1055       113.4762 65.73790 31.68893 71.00195 23.45502 -5.264053      39.42494 
1 1 1 -19 5  45 o 139.0205 18.47809 647.9703       146.9287 757.2808       371.7119 627.7286       159.9551 114.4646 42.11613 134.5161 20.95823 -20.05156      47.04270 
1 1 1 -19 5  46 o 74.68363 29.22727 213.0120       185.8750 0.000000       0.000000 213.0120       185.8750 ?        ?        74.68363 29.22727 0.000000       29.22727 
1 1 1 -19 6  1  o 557.3143 12.76130 9139.172       417.1053 8953.126       680.5002 9251.131       527.8944 549.5801 21.15233 559.9265 16.09223 -10.34637      26.57783 
1 1 1 -19 6  2  o 438.4294 11.80282 5657.302       303.2081 5758.243       486.3533 5593.126       387.7947 441.0865 18.84428 435.4081 15.20976 5.678345       24.21660 
1 1 1 -19 6  3  o 535.4799 14.85398 8454.379       466.0332 8386.092       633.1407 8535.123       688.4713 532.0473 20.32821 536.3148 21.93476 -4.267517      29.90602 
1 1 1 -19 6  4  o 486.9437 14.42659 6990.654       411.5417 7226.253       569.3861 6732.942       595.5080 493.9514 19.69444 476.3439 21.37095 17.60751       29.06180 
1 1 1 -19 6  5  o 268.3551 12.36632 2123.385       194.1027 1924.615       270.0199 2335.926       279.2163 254.6157 18.20265 280.8275 17.03325 -26.21185      24.92926 
1 1 1 -19 6  6  o 66.75411 25.67242 89.05526       141.5128 42.38665       177.3536 170.8319       234.7698 67.32194 27.76269 87.85213 33.23977 -20.53019      43.30877 
1 1 1 -19 6  7  o 233.5495 11.69102 1608.678       159.6243 1447.604       209.0163 1834.082       247.2573 220.9042 16.24705 248.6565 17.05837 -27.75233      23.55748 
1 1 1 -19 6  8  o 253.8662 14.12362 1905.070       209.4529 1864.091       415.5214 1919.030       242.5173 247.9210 29.13318 254.4562 16.33728 -6.535187      33.40133 
1 1 1 -19 6  9  o 273.9991 10.40642 2210.929       166.9210 2240.333       225.9620 2175.609       247.6499 275.3396 14.03951 271.0691 15.64431 4.270569       21.02029 
1 1 1 -19 6  10 o 250.3292 10.35783 1846.179       151.7370 1811.260       201.3600 1892.064       230.8214 247.4778 13.92974 252.6793 15.65285 -5.201431      20.95351 
1 1 1 -19 6  11 o 214.9570 10.87211 1363.122       136.6166 1438.872       181.1679 1263.260       208.0118 220.4265 14.08790 205.9261 17.38596 14.50037       22.37723 
1 1 1 -19 6  12 o 298.7073 9.288373 2626.086       162.5204 2723.221       228.7755 2527.125       230.9166 303.6794 12.87449 292.4181 13.50126 11.26129       18.65574 
1 1 1 -19 6  13 o 336.8264 9.168894 3338.715       180.9545 3533.714       262.1986 3161.366       250.0501 345.9274 12.94678 327.1483 13.05887 18.77914       18.38894 
1 1 1 -19 6  14 o 380.1623 9.187394 4250.799       204.8387 4441.586       292.6937 4067.659       286.7684 387.8247 12.88638 371.0580 13.19871 16.76678       18.44626 
1 1 1 -19 6  15 f 590.8011 10.87871 10281.36       376.9375 10514.04       541.3788 10062.43       525.1327 595.8804 15.50461 582.9821 15.37243 12.89832       21.83356 
1 1 1 -19 6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 6  17 f 176.6002 11.30737 923.2495       116.4973 977.5883       157.4914 857.5917       173.1192 181.1208 14.95977 168.9901 17.73137 12.13075       23.19906 
1 1 1 -19 6  18 o 269.9960 9.155294 2148.318       144.7610 2307.292       204.7883 1989.547       204.6576 279.2225 12.53757 259.0456 13.51781 20.17685       18.43697 
1 1 1 -19 6  19 o 435.2557 9.333252 5578.744       238.2473 5875.322       348.9083 5319.655       326.1110 445.4980 13.36924 423.9599 13.13149 21.53818       18.73960 
1 1 1 -19 6  20 o 324.9781 8.931243 3111.625       170.0609 3175.211       244.8676 3052.379       236.3626 327.4794 12.77411 321.1211 12.57476 6.358337       17.92491 
1 1 1 -19 6  21 f 443.3948 9.390910 5791.138       244.2018 5867.552       350.4377 5719.004       340.4843 445.0631 13.44116 439.4584 13.22584 5.604645       18.85703 
1 1 1 -19 6  22 o 235.2334 9.622540 1633.081       132.4712 1682.969       185.6180 1581.296       189.1161 238.1098 13.34547 230.6297 14.04843 7.480118       19.37679 
1 1 1 -19 6  23 o 77.99480 22.65046 187.0483       109.7105 6.312606       144.1461 435.9025       169.1428 57.36652 24.42484 117.9045 25.22366 -60.53796      35.11134 
1 1 1 -19 6  24 o 241.1400 10.11651 1717.064       142.7528 1691.960       203.9341 1741.183       199.8926 238.4600 14.65298 242.0347 14.14377 -3.574692      20.36556 
1 1 1 -19 6  25 o 71.81258 23.12881 152.1945       110.6898 147.4806       148.4310 158.1002       166.1396 74.65749 26.73558 77.91998 28.23601 -3.262497      38.88526 
1 1 1 -19 6  26 o 224.7294 10.22935 1492.591       134.4678 1604.640       188.5353 1376.580       191.8402 232.2786 13.90353 214.7416 15.33346 17.53705       20.69838 
1 1 1 -19 6  27 o 313.5184 9.056890 2899.121       166.3555 3064.049       239.4412 2745.224       231.2947 321.4236 12.72711 304.1407 12.99700 17.28296       18.19069 
1 1 1 -19 6  28 o 432.1342 9.426250 5508.197       238.8956 5428.339       340.9971 5585.173       334.7872 427.4220 13.62066 433.7404 13.17627 -6.318359      18.95089 
1 1 1 -19 6  29 o 307.3155 8.984570 2788.520       161.7580 2856.449       236.1939 2728.517       221.9871 309.8782 13.02557 303.0126 12.51852 6.865601       18.06596 
1 1 1 -19 6  30 o 117.7856 18.64684 427.6829       124.5252 486.5554       141.3531 223.6439       263.1515 125.4104 19.88097 92.61436 35.15718 32.79606       40.38911 
1 1 1 -19 6  31 o 160.4539 14.66441 775.3293       136.4718 848.5184       155.2211 526.0880       286.4427 167.5103 15.99401 124.8497 36.69558 42.66058       40.02966 
1 1 1 -19 6  32 o 159.8036 12.19188 763.7706       113.4011 642.1229       162.2988 879.8120       158.5148 144.1267 19.71723 170.4168 16.04910 -26.29013      25.42327 
1 1 1 -19 6  33 o 54.31762 21.38925 57.18963       100.0786 -98.38374      148.4215 186.8954       135.5217 48.65503 22.42699 77.92559 25.62727 -29.27056      34.05477 
1 1 1 -19 6  34 o 250.5927 9.475808 1865.091       139.0119 1733.294       200.6765 1986.680       192.7483 239.6022 14.34659 257.3082 12.81312 -17.70599      19.23540 
1 1 1 -19 6  35 o 35.56435 16.82619 -99.84113      92.96666 16.55509       137.2413 -198.5414      126.3789 55.42537 23.72187 37.60470 18.25655 17.82066       29.93374 
1 1 1 -19 6  36 o 76.49461 19.82475 190.3895       89.65878 145.8756       128.6702 232.4019       125.0027 69.67379 24.89909 83.46402 24.15953 -13.79023      34.69363 
1 1 1 -19 6  37 o 267.8945 8.034242 2133.794       126.0864 1987.363       403.1251 2149.673       132.7466 239.5023 29.30995 268.7025 8.434109 -29.20023      30.49930 
1 1 1 -19 6  38 o 94.87303 18.27929 290.9591       98.01900 553.6687       362.4897 270.2348       101.8118 114.1643 41.65760 90.72545 19.70025 23.43880       46.08097 
1 1 1 -19 6  39 o 67.83328 22.15065 150.8942       101.3235 600.6973       324.6883 102.3647       106.6495 118.0082 39.69162 60.10360 22.47547 57.90464       45.61328 
1 1 1 -19 6  40 o 101.0389 17.55734 331.5344       100.2656 242.2627       367.7437 338.7037       104.2140 87.68096 38.17935 101.8457 18.11123 -14.16473      42.25730 
1 1 1 -19 6  41 o 98.17423 18.36589 317.9061       101.8589 377.0645       376.7978 313.2422       105.7979 94.46998 39.82189 96.89893 19.29526 -2.428955      44.25031 
1 1 1 -19 6  42 f 139.7161 14.03065 613.3656       113.4128 529.7914       372.3447 621.9122       119.0707 102.7588 41.00214 140.2509 14.69387 -37.49214      43.55554 
1 1 1 -19 6  43 o 227.5488 10.03072 1573.967       133.5330 989.9650       392.3734 1650.465       142.0097 136.6117 43.50003 232.6879 10.43276 -96.07620      44.73360 
1 1 1 -19 6  44 o 187.0869 11.66201 1080.786       127.3216 929.6182       407.3405 1097.154       134.0375 126.6851 44.39223 188.0430 12.22017 -61.35791      46.04348 
1 1 1 -19 6  45 o 137.4318 19.64758 644.0313       153.8593 374.7533       366.9167 701.4826       169.4796 87.54945 38.12904 142.2007 20.94890 -54.65120      43.50495 
1 1 1 -19 6  46 o 78.46371 25.98512 237.5826       139.2516 210.3058       235.6276 252.2223       172.6221 75.24554 31.59077 79.23443 28.77171 -3.988884      42.72924 
1 1 1 -19 7  1  o 710.4114 14.75728 14870.49       614.8465 13619.18       968.1385 15716.33       795.9740 676.6254 24.43726 729.0682 18.63100 -52.44275      30.72936 
1 1 1 -19 7  2  o 493.4439 14.35946 7178.646       415.1109 6523.455       533.8265 8180.838       660.2242 469.3019 19.43741 525.0769 21.48505 -55.77496      28.97275 
1 1 1 -19 7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 7  4  o 376.6999 13.20168 4182.789       291.2079 4130.997       373.5375 4263.041       464.9774 373.7040 17.08861 378.8114 21.01179 -5.107361      27.08350 
1 1 1 -19 7  5  o 293.2518 11.67563 2533.783       200.4023 2441.010       285.9583 2623.322       280.9317 287.0437 17.06352 297.7602 16.14774 -10.71649      23.49283 
1 1 1 -19 7  6  o 183.0955 14.89642 994.7563       158.5787 1199.847       212.1185 734.8959       238.7675 200.6687 18.22239 154.7482 27.30654 45.92047       32.82838 
1 1 1 -19 7  7  o 388.3226 9.865546 4435.548       224.4980 4167.845       292.9362 4816.549       349.4692 375.9336 13.30751 403.9070 14.77780 -27.97339      19.88651 
1 1 1 -19 7  8  o 152.0045 21.22295 698.2903       184.0458 676.8560       361.4814 705.7911       213.8372 146.4756 40.64877 152.0406 24.83811 -5.565048      47.63669 
1 1 1 -19 7  9  o 76.66592 24.07783 173.4484       120.5878 173.2626       147.3345 173.8256       209.8788 78.84224 26.73691 85.27303 31.59837 -6.430794      41.39226 
1 1 1 -19 7  10 o 151.6783 13.86972 683.9837       122.0152 715.7593       154.6863 631.6544       198.5079 154.6098 17.35890 143.6261 24.44106 10.98378       29.97827 
1 1 1 -19 7  11 o 160.9644 12.88715 768.4838       120.6415 850.1183       156.3700 648.4358       189.6242 168.8636 15.97954 145.8496 22.92404 23.01404       27.94382 
1 1 1 -19 7  12 o 159.4491 13.07661 754.6710       121.2100 703.4860       153.4046 839.7288       197.7534 153.1753 17.38356 166.8403 20.65075 -13.66499      26.99336 
1 1 1 -19 7  13 o 406.8535 9.491053 4869.271       226.4660 4786.125       319.0307 4953.722       321.5264 402.4888 13.53463 409.5118 13.40557 -7.022949      19.04982 
1 1 1 -19 7  14 o 355.3434 9.135006 3716.566       190.2161 3724.339       265.0914 3708.316       273.0998 355.0881 12.75012 354.2370 13.16842 0.8511047      18.32956 
1 1 1 -19 7  15 o 231.6903 11.45655 1586.015       155.1898 1693.556       184.0719 1321.691       288.5821 239.1521 13.17480 208.6770 24.01752 30.47505       27.39373 
1 1 1 -19 7  16 o 256.1555 9.420115 1933.768       141.2765 2018.697       194.9520 1839.842       205.0182 261.1892 12.76555 249.0707 14.09271 12.11845       19.01483 
1 1 1 -19 7  17 o 277.4202 11.97978 2275.329       194.4522 2470.271       247.4086 1960.317       314.5036 288.5072 14.67018 255.1965 21.20500 33.31073       25.78500 
1 1 1 -19 7  18 o 275.8279 9.112958 2242.139       147.2148 2327.364       205.7567 2152.754       210.7182 280.4098 12.54328 269.4907 13.37417 10.91910       18.33582 
1 1 1 -19 7  19 o 316.0442 8.841393 2942.472       163.7164 3027.947       234.4903 2861.181       228.6788 319.8725 12.52384 310.9158 12.56691 8.956665       17.74186 
1 1 1 -19 7  20 o 112.1906 16.00813 381.1087       102.3454 389.4312       133.6465 369.3072       159.1465 112.2613 21.07284 108.3691 25.47309 3.892151       33.05968 
1 1 1 -19 7  21 o 481.1211 9.673401 6820.593       272.9506 6900.175       390.4071 6744.498       381.7591 482.5259 13.81000 477.1024 13.65760 5.423431       19.42282 
1 1 1 -19 7  22 o 548.9078 10.44898 8885.048       336.3750 8849.311       478.0987 8920.077       473.3491 546.0087 14.94432 548.2817 14.73401 -2.273010      20.98628 
1 1 1 -19 7  23 o 179.1642 11.96780 952.3308       125.0312 1016.971       168.2325 872.5705       186.8749 184.4227 15.70333 169.9149 19.08233 14.50772       24.71294 
1 1 1 -19 7  24 o 371.6478 9.463346 4071.521       206.0978 4011.546       291.8434 4131.187       291.0907 367.8916 13.54946 373.4128 13.31325 -5.521179      18.99554 
1 1 1 -19 7  25 o 401.5150 9.407889 4749.728       221.5361 4691.975       312.7808 4807.866       313.8205 397.8805 13.42330 402.8078 13.30237 -4.927338      18.89810 
1 1 1 -19 7  26 o 54.19491 21.38010 51.74216       100.1564 24.10589       131.9396 89.32338       153.8583 56.81510 23.73129 67.84959 26.57989 -11.03449      35.63235 
1 1 1 -19 7  27 o 299.1740 9.260277 2641.146       162.2838 2767.578       234.6851 2525.295       224.6514 305.3011 13.13785 291.5976 13.17035 13.70352       18.60272 
1 1 1 -19 7  28 o 105.5160 17.43428 341.4854       104.1234 330.7746       139.0860 355.1418       157.0506 102.3359 23.64881 105.6909 25.60884 -3.354942      34.85798 
1 1 1 -19 7  29 o 548.4031 10.51357 8894.305       338.1433 9032.325       490.9794 8769.769       466.3819 549.8865 15.23908 542.1871 14.68053 7.699341       21.16004 
1 1 1 -19 7  30 o 131.0883 13.81260 517.3251       104.5973 536.9378       142.1593 494.1747       154.4496 132.1496 18.87841 125.7626 21.72577 6.387024       28.78200 
1 1 1 -19 7  31 o 114.3908 15.76940 399.1276       102.9813 370.7411       142.8688 429.8264       148.5738 107.9640 23.25137 116.6796 22.52764 -8.715614      32.37469 
1 1 1 -19 7  32 o 238.1135 9.558412 1680.303       133.2100 1725.329       200.7684 1644.892       178.0464 239.7243 14.34578 234.5422 12.99459 5.182037       19.35615 
1 1 1 -19 7  33 o 165.7668 12.15520 823.4013       117.3493 821.3236       167.3567 825.4109       164.5918 163.6243 17.72253 164.1808 17.35610 -0.5565338     24.80569 
1 1 1 -19 7  34 o 45.38533 19.86518 -13.18545      100.6799 142.1662       147.4762 -148.7870      137.7832 71.81377 26.50982 42.95808 20.37135 28.85568       33.43296 
1 1 1 -19 7  35 o 99.73141 17.52570 313.5685       98.76872 325.3980       141.6939 302.3883       137.7497 98.87605 24.54848 95.31935 24.50630 3.556694       34.68698 
1 1 1 -19 7  36 o 99.76577 16.34025 312.9941       92.30043 591.2750       396.0060 297.0079       94.91457 119.9449 43.57470 96.72490 17.37021 23.21999       46.90926 
1 1 1 -19 7  37 o 42.44715 18.81860 -18.63478      93.09574 105.6741       370.3107 -27.02133      96.18486 84.60017 37.51822 42.29996 18.91657 42.30021       42.01730 
1 1 1 -19 7  38 o 73.21848 21.52082 178.2066       98.51968 134.3276       353.9392 181.8919       102.5735 84.04727 37.00202 73.87710 22.02201 10.17017       43.05947 
1 1 1 -19 7  39 o 44.30898 19.39381 -3.850808      95.95573 193.9963       323.3589 -22.95528      100.4818 84.39105 36.27086 43.30104 19.35148 41.09001       41.11028 
1 1 1 -19 7  40 o 39.42286 18.07062 -47.84750      94.52160 -398.3200      345.8185 -19.55048      98.26336 59.85890 29.30836 42.93982 19.16702 16.91908       35.01935 
1 1 1 -19 7  41 o 196.5273 10.24725 1171.014       117.7004 1157.590       398.4885 1172.297       123.1969 157.5046 42.26366 196.3189 10.74101 -38.81427      43.60718 
1 1 1 -19 7  42 o 151.7104 12.90127 715.6930       113.7007 340.7344       408.5420 747.1740       118.3776 90.25606 39.74397 154.8552 13.15897 -64.59912      41.86575 
1 1 1 -19 7  43 o 168.6616 12.43059 883.3448       122.0945 209.1027       393.5214 955.1622       128.4325 81.88815 37.28174 175.2999 12.57587 -93.41170      39.34565 
1 1 1 -19 7  44 o 52.51905 22.31474 44.59330       119.8860 218.8803       379.7077 25.29541       126.3490 81.02370 36.78358 51.45010 22.39143 29.57360       43.06284 
1 1 1 -19 7  45 o 60.92028 24.37506 109.7120       131.9567 -119.9253      374.6445 142.2350       140.9918 66.56311 32.10079 65.47156 25.50325 1.091553       40.99849 
1 1 1 -19 7  46 o 56.19415 23.41143 74.16496       127.9210 -183.1937      441.6824 97.72904       133.6491 67.91383 33.22487 59.40845 24.25504 8.505375       41.13634 
1 1 1 -19 8  1  o 137.2618 25.14492 577.5401       194.9615 578.7183       241.7079 575.3463       329.8293 136.3513 30.93816 135.9854 39.20834 0.3659668      49.94461 
1 1 1 -19 8  2  f 314.0589 13.56134 2910.175       249.1951 2492.764       301.5503 3809.120       442.5312 289.9433 17.81965 357.9207 21.17639 -67.97748      27.67633 
1 1 1 -19 8  3  o 540.3991 12.33776 8594.598       391.0223 8479.480       628.0385 8667.470       499.6879 534.8141 20.05872 541.8455 15.74104 -7.031311      25.49770 
1 1 1 -19 8  4  o 565.5818 12.54330 9416.092       416.0618 9169.169       671.1621 9570.207       530.2373 555.9453 20.62045 569.3167 15.89612 -13.37140      26.03631 
1 1 1 -19 8  5  o 411.7720 14.75012 5005.317       355.6319 0.000000       0.000000 5005.317       355.6319 ?        ?        411.7720 14.75012 0.000000       14.75012 
1 1 1 -19 8  6  o 224.0766 12.72098 1483.188       166.4868 1577.834       221.6183 1360.581       252.2383 230.5806 16.49725 213.3205 20.41036 17.26013       26.24389 
1 1 1 -19 8  7  o 531.2532 12.02464 8308.076       374.6487 8689.854       624.7018 8093.635       468.1898 541.2181 19.71406 523.5178 15.26525 17.70038       24.93336 
1 1 1 -19 8  8  o 265.8054 14.06087 2088.947       218.4131 1485.722       393.9731 2356.609       262.4338 220.0591 31.41732 282.0506 15.92983 -61.99146      35.22510 
1 1 1 -19 8  9  o 349.4383 9.493414 3592.719       194.3752 3671.116       264.7848 3501.099       286.2438 352.7482 12.82037 344.2313 14.20921 8.516876       19.13801 
1 1 1 -19 8  10 o 135.7658 15.36301 551.2282       120.1787 556.1144       151.3550 542.8918       197.6969 135.5632 19.60599 132.4333 26.38080 3.129883       32.86855 
1 1 1 -19 8  11 o 338.4755 9.424534 3371.825       186.9023 3467.201       260.4202 3270.515       268.3999 342.6754 12.98157 332.6521 13.78745 10.02328       18.93713 
1 1 1 -19 8  12 o 99.42680 19.33177 303.3586       108.6658 354.6399       134.5711 207.2582       184.2193 107.1680 22.14375 86.49190 29.88079 20.67608       37.19150 
1 1 1 -19 8  13 o 225.7240 10.44715 1503.203       137.9262 1405.882       181.5215 1636.143       212.1558 217.6914 14.29706 234.6873 15.50077 -16.99593      21.08743 
1 1 1 -19 8  14 o 135.3272 14.36798 547.2052       112.2926 550.6836       145.6239 542.1030       176.3673 134.8549 18.93340 132.7079 23.52158 2.146912       30.19501 
1 1 1 -19 8  15 o 305.5504 10.33063 2752.667       184.8566 2813.652       223.6014 2620.982       328.5710 308.5567 12.38146 296.2160 19.01384 12.34067       22.68979 
1 1 1 -19 8  16 o 223.5154 12.55407 1479.475       163.9055 1505.621       202.3122 1429.535       279.6034 224.9315 15.42978 217.4322 22.23937 7.499298       27.06783 
1 1 1 -19 8  17 o 506.1140 13.64607 7580.996       404.6783 7550.265       552.8321 7616.473       593.9844 503.0316 18.77197 504.5945 20.11189 -1.562897      27.51136 
1 1 1 -19 8  18 o 355.0485 8.844007 3710.487       184.1566 3919.595       266.1867 3518.518       255.0440 364.0284 12.48659 344.8433 12.63215 19.18506       17.76193 
1 1 1 -19 8  19 o 102.5264 17.22427 320.9253       99.89959 415.2005       133.6694 201.6418       150.3570 116.2024 20.35544 82.62374 26.98336 33.57864       33.80009 
1 1 1 -19 8  20 o 261.9826 9.290436 2024.029       142.5184 2083.082       200.0776 1963.205       203.0583 265.0943 12.90789 257.2026 13.50891 7.891663       18.68433 
1 1 1 -19 8  21 o 555.2042 10.48685 9090.476       341.4668 9147.775       489.3421 9036.093       476.7193 555.0981 15.04502 551.8311 14.74332 3.267090       21.06462 
1 1 1 -19 8  22 o 198.0503 10.77271 1160.423       124.6559 1173.560       164.7995 1142.856       190.5765 198.5218 14.24937 195.3136 16.80054 3.208206       22.02959 
1 1 1 -19 8  23 o 142.7393 14.69399 610.2148       121.2529 587.0325       161.7726 639.9348       183.1686 138.6066 20.51989 144.3269 22.36266 -5.720352      30.35053 
1 1 1 -19 8  24 o 303.3926 9.447539 2714.296       167.8976 2584.358       228.7243 2866.125       247.2416 295.2368 13.24336 310.8550 13.59454 -15.61819      18.97889 
1 1 1 -19 8  25 o 85.30478 21.51551 227.0883       107.6090 369.8512       138.6539 10.85487       170.6419 108.9437 22.44808 62.47825 26.58721 46.46542       34.79649 
1 1 1 -19 8  26 f 36.84817 17.36563 -105.1026      97.25489 -199.8758      127.3650 27.43755       150.6195 38.42962 18.57820 60.52010 25.32273 -22.09048      31.40685 
1 1 1 -19 8  27 o 174.3576 11.54708 902.9133       117.4113 987.1374       164.6889 815.8577       167.4344 181.4193 15.63082 164.2790 17.65524 17.14023       23.58029 
1 1 1 -19 8  28 o 219.2474 10.17454 1422.986       130.4709 1277.431       182.3650 1575.609       186.7402 206.4993 15.16393 229.8109 13.92061 -23.31160      20.58466 
1 1 1 -19 8  29 o 362.9116 9.222191 3890.572       196.1252 3819.456       282.7053 3956.556       272.3124 358.0888 13.48558 364.7673 12.74880 -6.678558      18.55782 
1 1 1 -19 8  30 o 102.9919 17.35569 327.0967       101.1094 218.5264       138.6785 450.3041       147.7311 83.62511 25.75092 119.8395 21.82321 -36.21435      33.75444 
1 1 1 -19 8  31 o 134.1722 14.12968 543.1804       109.5176 470.0854       154.9925 616.0660       154.7704 122.1154 22.46933 141.4250 19.15170 -19.30959      29.52386 
1 1 1 -19 8  32 o 169.7446 12.14281 861.9199       120.0846 905.2278       170.6894 819.4780       168.9741 172.3467 17.11282 163.6124 17.90161 8.734253       24.76522 
1 1 1 -19 8  33 o 73.02044 22.66714 166.7588       107.2004 158.9808       154.2010 174.0340       149.1345 75.05748 27.20205 76.70096 26.86190 -1.643478      38.22974 
1 1 1 -19 8  34 o 44.23433 19.37937 -13.31203      96.01318 -27.78574      135.0408 1.484353       136.5378 51.07776 22.65387 54.03713 23.39845 -2.959366      32.56817 
1 1 1 -19 8  35 o 60.34536 20.68572 108.2279       88.23056 164.4559       422.4864 105.6638       90.21986 93.67995 40.85495 60.06289 20.90239 33.61706       45.89157 
1 1 1 -19 8  36 o 163.1232 11.01130 801.6997       104.7255 599.9962       412.4030 815.6032       108.2748 119.6810 44.30369 164.4231 11.29695 -44.74215      45.72131 
1 1 1 -19 8  37 o 92.22379 19.19809 276.9461       100.4558 -391.2406      386.6317 325.3197       104.0286 66.08809 32.04913 100.5593 18.31375 -34.47120      36.91260 
1 1 1 -19 8  38 o 41.38800 18.61218 -30.53397      94.54621 -82.25969      350.2935 -26.46972      98.19038 72.87653 33.89043 42.62070 19.08252 30.25583       38.89349 
1 1 1 -19 8  39 o 72.49049 21.89311 177.4154       100.8833 435.9547       354.7357 154.6654       105.2283 101.4030 40.16354 68.38919 22.58632 33.01380       46.07875 
1 1 1 -19 8  40 o 93.46981 18.51282 288.2308       97.89269 164.1202       362.6589 297.9844       101.6666 82.75803 36.88914 94.84247 18.94127 -12.08443      41.46782 
1 1 1 -19 8  41 o 131.8006 13.61444 542.6874       103.7239 291.0760       385.3749 562.3382       107.6982 88.86308 38.88113 134.0125 13.90475 -45.14944      41.29267 
1 1 1 -19 8  42 o 125.1728 16.52082 507.0004       118.3226 0.000000       0.000000 507.0004       118.3226 ?        ?        125.1728 16.52082 0.000000       16.52082 
1 1 1 -19 8  43 o 160.5496 12.58934 802.4173       117.5920 391.2086       360.8700 851.2676       124.3808 90.98705 38.68942 165.1154 12.94794 -74.12838      40.79853 
1 1 1 -19 8  44 o 53.71148 22.69981 52.62972       122.9525 -378.8160      369.4218 106.3753       130.3860 59.63852 29.41488 60.72851 24.25267 -1.089993      38.12384 
1 1 1 -19 8  45 o 79.37431 23.00519 231.6474       113.2763 52.28618       383.2173 248.8195       118.5749 72.75842 34.34471 81.94957 23.47161 -9.191154      41.59898 
1 1 1 -19 8  46 o 137.2960 16.59049 621.1790       130.8823 -411.8114      481.5921 703.5591       136.0011 64.71737 32.20758 146.6701 16.07365 -81.95269      35.99570 
1 1 1 -19 9  1  o 308.3192 13.72927 2806.208       247.6326 2934.216       311.1000 2584.850       409.1011 314.7527 16.91525 293.8576 23.94534 20.89514       29.31731 
1 1 1 -19 9  2  o 485.4177 13.94703 6949.172       396.6408 7431.814       555.5593 6447.386       566.4695 500.8127 18.94910 465.9181 20.78313 34.89465       28.12485 
1 1 1 -19 9  3  o 443.3076 13.33518 5794.115       346.3064 5881.247       466.3674 5687.018       517.0464 445.6749 17.87894 437.6572 20.19843 8.017700       26.97468 
1 1 1 -19 9  4  o 794.0524 19.21000 18666.96       894.5963 18718.81       1254.238 18613.25       1276.352 791.0134 27.07612 788.4461 27.64525 2.567261       38.69594 
1 1 1 -19 9  5  o 531.7780 12.07113 8324.685       376.4687 7852.084       584.1150 8660.494       492.3766 514.5353 19.39146 541.4950 15.52032 -26.95966      24.83766 
1 1 1 -19 9  6  o 299.1401 11.01095 2636.312       192.8449 2955.080       284.2139 2364.343       262.5235 316.0563 15.37928 282.5324 15.90769 33.52390       22.12638 
1 1 1 -19 9  7  o 501.1277 11.64206 7392.519       342.1596 7392.419       547.0644 7392.583       438.5161 499.2642 18.71661 500.2835 14.96260 -1.019348      23.96228 
1 1 1 -19 9  8  o 390.3194 13.82425 4498.345       315.9554 0.000000       0.000000 4498.345       315.9554 ?        ?        390.3194 13.82425 0.000000       13.82425 
1 1 1 -19 9  9  o 208.5270 11.10549 1283.584       135.3260 1274.631       174.0895 1297.254       215.1154 207.3290 14.40695 208.5773 17.75405 -1.248306      22.86409 
1 1 1 -19 9  10 o 367.4325 9.358178 3972.802       201.4957 4011.162       277.9554 3930.316       292.5179 368.6297 12.87661 364.7328 13.69934 3.896942       18.80104 
1 1 1 -19 9  11 o 657.9810 11.80460 12756.36       455.5280 12983.42       650.8597 12538.35       637.7677 661.9940 16.77772 650.5604 16.72957 11.43359       23.69326 
1 1 1 -19 9  12 o 227.7841 10.02578 1529.945       133.6063 1584.656       177.2117 1457.885       203.3745 231.3811 13.11279 221.4333 15.76349 9.947876       20.50446 
1 1 1 -19 9  13 o 395.1460 9.389917 4593.980       217.6055 4558.866       306.3345 4629.747       309.1663 392.7489 13.31862 395.7892 13.33825 -3.040314      18.84925 
1 1 1 -19 9  14 o 414.1837 9.365743 5048.141       227.5023 5379.943       330.7604 4750.229       313.4136 426.6334 13.23530 400.8351 13.35082 25.79834       18.79941 
1 1 1 -19 9  15 o 329.5418 9.015553 3197.788       174.0785 3339.388       245.1233 3053.709       247.2589 336.1360 12.45578 321.2701 13.15074 14.86588       18.11321 
1 1 1 -19 9  16 o 359.2126 11.86454 3811.779       249.6070 4080.585       336.7622 3484.071       371.8330 370.7183 15.52355 341.5532 18.63318 29.16510       24.25234 
1 1 1 -19 9  17 o 451.2732 12.82867 6023.027       339.1805 6491.716       478.4841 5549.648       480.8722 466.8185 17.50811 430.9341 19.07417 35.88431       25.89127 
1 1 1 -19 9  18 o 311.5583 8.854730 2859.648       161.6309 2813.286       226.6853 2907.593       230.5243 308.2982 12.56356 313.4306 12.56626 -5.132416      17.76947 
1 1 1 -19 9  19 o 168.3181 11.04752 839.4505       108.4523 815.6497       141.9290 872.8488       168.1269 165.2220 14.80387 170.4624 17.04575 -5.240387      22.57680 
1 1 1 -19 9  20 o 364.2184 9.004864 3906.194       192.3488 4104.601       280.2448 3729.476       264.4836 372.3359 12.85298 354.9272 12.72660 17.40875       18.08772 
1 1 1 -19 9  21 o 54.21314 21.51021 49.03260       101.9161 153.7093       132.0498 -105.1844      160.2798 73.93255 25.30747 51.37157 23.54158 22.56098       34.56405 
1 1 1 -19 9  22 o 132.1028 14.99615 524.0179       114.1295 614.9504       151.6441 405.2219       173.3274 142.4191 18.59943 113.3648 26.54076 29.05429       32.40911 
1 1 1 -19 9  23 o 377.7812 9.438000 4204.176       209.1081 4080.239       296.1508 4327.401       295.2981 371.0128 13.63367 382.2284 13.19285 -11.21558      18.97178 
1 1 1 -19 9  24 o 146.7264 13.96119 643.3695       118.6922 602.4188       154.8439 701.7089       184.8179 140.7312 19.26614 151.4899 21.39734 -10.75868      28.79288 
1 1 1 -19 9  25 o 220.7250 10.29821 1440.186       132.9429 1414.998       179.9632 1470.442       197.2419 218.0067 14.15196 221.9900 15.24260 -3.983292      20.79939 
1 1 1 -19 9  26 f 70.21794 22.23040 147.4040       102.6001 161.3274       132.1738 126.2940       162.7481 74.88887 25.32447 73.33562 27.69155 1.553253       37.52533 
1 1 1 -19 9  27 o 446.0709 9.611606 5870.630       251.4492 5886.017       364.5779 5856.670       347.2597 444.9299 13.98905 444.0916 13.34826 0.8382874      19.33570 
1 1 1 -19 9  28 o 242.2719 9.758696 1736.188       138.3744 1639.616       191.7068 1841.227       199.9344 234.3466 14.01252 248.4556 13.77499 -14.10898      19.64945 
1 1 1 -19 9  29 o 111.0129 18.00850 379.6043       113.2330 198.4635       151.6437 607.8834       170.2353 81.33997 27.12208 139.9619 21.41932 -58.62192      34.56001 
1 1 1 -19 9  30 o 88.30353 20.05807 245.5550       101.5028 237.5497       136.6199 255.4180       151.6465 86.57909 25.31409 89.67940 26.78720 -3.100311      36.85590 
1 1 1 -19 9  31 o 73.45531 22.00715 168.0813       102.2372 252.6317       147.9689 90.84571       141.4235 88.97340 26.43230 65.42813 25.52626 23.54527       36.74584 
1 1 1 -19 9  32 o 184.3815 12.59306 1018.346       135.3582 969.9318       174.6570 1091.153       214.1849 178.4325 16.89130 188.1192 19.70563 -9.686691      25.95434 
1 1 1 -19 9  33 o 210.7744 10.46511 1323.458       128.9590 1335.872       183.2272 1311.273       181.5357 210.0624 14.97087 208.1091 14.97385 1.953323       21.17411 
1 1 1 -19 9  34 o 116.1461 13.94242 412.3128       93.07527 545.6624       389.2011 404.2239       95.85664 120.2080 43.26267 114.7763 14.56806 5.431755       45.64961 
1 1 1 -19 9  35 o 202.0506 9.495167 1218.591       112.2010 1305.340       400.3671 1211.198       116.8848 187.2858 37.75573 201.2687 9.932869 -13.98296      39.04045 
1 1 1 -19 9  36 o 148.7337 12.41848 672.5610       107.3371 451.4781       387.6598 690.9177       111.7044 107.9219 42.21648 150.6126 12.76631 -42.69073      44.10454 
1 1 1 -19 9  37 o 82.82249 19.40593 225.0868       92.60301 -89.54342      375.2707 245.4875       95.55807 75.32456 35.04545 86.60155 19.30722 -11.27699      40.01191 
1 1 1 -19 9  38 o 69.49323 21.44664 159.7719       96.12881 -298.5605      376.3818 191.7554       99.42630 66.95193 32.25989 75.58749 21.44202 -8.635551      38.73578 
1 1 1 -19 9  39 o 39.77183 18.14031 -42.68690      93.71086 195.5781       370.2016 -58.99952      96.86567 85.61965 37.76249 39.07319 18.04871 46.54646       41.85405 
1 1 1 -19 9  40 o 60.12709 21.52170 111.9177       96.17084 49.08157       339.8229 117.3884       100.2700 75.46848 34.46865 61.34464 21.97346 14.12384       40.87690 
1 1 1 -19 9  41 o 37.36670 18.23215 -198.8527      130.4562 -843.4771      426.3189 -132.2540      137.0295 56.54654 28.44977 42.10814 20.06696 14.43840       34.81482 
1 1 1 -19 9  42 o 67.83671 22.29307 158.8687       102.5592 -79.23608      374.2311 178.2037       106.6420 70.16769 33.36050 71.24924 22.67690 -1.081543      40.33812 
1 1 1 -19 9  43 o 41.43214 19.17944 -57.52332      110.2484 -71.41919      393.6374 -56.34050      114.8448 70.62157 33.75317 42.43819 19.62053 28.18338       39.04154 
1 1 1 -19 9  44 o 47.46143 20.61568 17.82089       106.6730 336.1478       342.5525 -16.36351      112.2547 86.03919 37.15825 45.08064 20.27596 40.95855       42.33025 
1 1 1 -19 9  45 o 65.89956 22.48809 153.4947       104.2500 230.3561       396.5521 147.7883       108.0506 80.09335 36.82367 64.98135 22.85617 15.11200       43.34036 
1 1 1 -19 9  46 o 54.97883 22.66025 74.50019       118.0682 80.02139       447.2082 74.08652       122.4114 74.73848 35.78975 55.39238 22.97468 19.34610       42.52931 
1 1 1 -19 10 1  o 205.7090 14.75200 1254.463       176.7917 1434.428       218.8456 916.3911       299.9494 219.6518 17.12361 172.1608 30.83999 47.49098       35.27496 
1 1 1 -19 10 2  o 537.5790 14.53747 8529.143       457.9128 8242.448       610.7368 8897.236       692.0276 527.0128 19.79497 546.9545 21.61612 -19.94171      29.31037 
1 1 1 -19 10 3  o 340.2815 12.61275 3414.916       251.2733 3553.257       324.3524 3207.277       397.3716 346.5196 16.00343 328.1482 20.75424 18.37134       26.20779 
1 1 1 -19 10 4  o 210.5042 14.01073 1312.213       171.9859 1144.643       204.7998 1713.106       316.7718 195.8779 18.02978 238.9138 22.88714 -43.03589      29.13578 
1 1 1 -19 10 5  o 349.7479 10.73518 3602.195       219.9382 3716.903       328.2789 3508.773       296.2590 354.4079 15.83387 344.5413 14.69530 9.866608       21.60238 
1 1 1 -19 10 6  o 700.3690 14.21008 14469.50       583.6788 14546.08       985.5383 14428.13       724.3840 697.9533 24.11290 698.0071 17.70962 -0.5383301E-01 29.91759 
1 1 1 -19 10 7  o 489.0562 11.35866 7041.211       325.7890 6544.888       497.2259 7414.569       431.2549 469.7547 18.08189 500.9818 14.69370 -31.22705      23.29935 
1 1 1 -19 10 8  o 293.7018 10.66908 2541.952       183.4686 3015.070       274.3019 2158.951       246.7993 319.2315 14.69056 269.8451 15.66208 49.38644       21.47355 
1 1 1 -19 10 9  o 316.0728 10.35806 2943.058       191.7472 2969.820       274.3915 2917.516       268.0623 316.7503 14.81178 313.9850 14.59710 2.765381       20.79577 
1 1 1 -19 10 10 o 180.0419 11.47972 958.6983       120.5834 941.0826       147.8328 993.7175       208.4371 177.9560 14.28459 181.8098 19.87142 -3.853760      24.47291 
1 1 1 -19 10 11 o 113.8538 16.26101 391.2625       105.4979 343.0618       127.1532 497.7436       188.9893 105.4798 21.28921 126.4816 26.33474 -21.00175      33.86368 
1 1 1 -19 10 12 o 272.8696 9.151476 2192.760       146.2453 2323.903       196.8877 2031.349       218.4299 280.4964 11.99623 261.8070 14.27998 18.68945       18.65013 
1 1 1 -19 10 13 o 64.12209 22.35842 110.4651       103.2536 100.4565       125.9550 130.9720       180.2932 65.63287 24.44857 76.64713 29.09945 -11.01426      38.00672 
1 1 1 -19 10 14 o 84.98528 21.34481 224.1198       106.2281 104.7660       130.4192 459.3853       183.1060 66.82359 24.88080 121.1732 26.50522 -54.34957      36.35356 
1 1 1 -19 10 15 o 168.6318 11.34451 842.3493       111.5427 823.3489       142.7890 872.0966       178.6638 166.1192 14.81148 170.2897 18.16984 -4.170456      23.44191 
1 1 1 -19 10 16 o 191.5976 12.88803 1089.614       143.9771 1284.826       177.4161 713.0813       246.4002 207.7783 14.65335 150.7374 28.92374 57.04085       32.42381 
1 1 1 -19 10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 10 18 o 117.1350 15.26000 413.6440       102.3416 440.4335       133.1399 374.9549       159.9997 119.9394 19.60423 109.2265 25.45075 10.71288       32.12579 
1 1 1 -19 10 19 o 292.6904 8.941971 2524.692       153.3143 2782.724       219.7675 2280.058       213.9863 306.6407 12.24496 277.3080 13.19535 29.33273       18.00156 
1 1 1 -19 10 20 o 421.7128 9.310973 5238.273       230.2833 5287.031       331.7747 5192.946       319.8899 422.4581 13.40786 418.7935 13.04006 3.664551       18.70331 
1 1 1 -19 10 21 o 299.1588 9.288177 2638.489       162.7632 2606.775       227.6971 2671.625       232.7500 296.5638 13.12399 300.2057 13.25232 -3.641937      18.65108 
1 1 1 -19 10 22 o 329.8973 9.306886 3208.023       179.8869 3380.774       258.6953 3046.292       250.3088 337.8239 13.08185 320.5855 13.34234 17.23840       18.68564 
1 1 1 -19 10 23 o 231.4119 10.45574 1582.399       141.5363 1402.061       189.0726 1812.270       213.4650 216.9108 14.95419 246.7695 14.81801 -29.85876      21.05235 
1 1 1 -19 10 24 f 466.7811 9.863043 6422.806       270.0068 6216.760       385.7699 6620.680       378.0419 457.6656 14.39029 472.5946 13.65388 -14.92902      19.83706 
1 1 1 -19 10 25 o 105.7249 17.74665 342.3084       106.1433 469.9955       137.9652 157.1161       166.1528 123.8034 19.65770 77.63657 28.22219 46.16681       34.39356 
1 1 1 -19 10 26 o 98.49001 18.96718 300.1455       105.5839 273.8821       133.5910 343.8538       172.3389 93.20921 24.22055 103.9446 27.75050 -10.73542      36.83375 
1 1 1 -19 10 27 o 185.1897 11.41499 1018.534       123.3749 828.7339       163.1550 1271.998       188.5426 165.6249 17.03954 205.9362 15.72988 -40.31131      23.18997 
1 1 1 -19 10 28 o 194.9360 11.00220 1128.277       125.2725 1112.969       172.6429 1145.300       182.0556 192.4619 15.42415 195.0606 16.05620 -2.598709      22.26446 
1 1 1 -19 10 29 o 264.5095 9.515208 2069.916       147.3676 2002.365       211.3570 2133.825       205.5813 258.8322 13.97531 267.5047 13.14418 -8.672455      19.18538 
1 1 1 -19 10 30 o 126.5190 14.60194 484.3577       106.3614 335.8358       145.1516 656.5748       156.3020 102.3509 24.50622 146.2923 18.64045 -43.94144      30.78995 
1 1 1 -19 10 31 o 116.0383 17.04993 414.0241       112.5736 357.6263       157.2764 473.2729       161.2026 105.0681 25.73184 122.0093 23.37906 -16.94121      34.76648 
1 1 1 -19 10 32 o 76.35459 21.96328 184.9566       103.6118 115.8507       138.6309 272.4100       155.9520 67.88835 25.57449 91.56654 27.11923 -23.67819      37.27609 
1 1 1 -19 10 33 o 37.93963 17.62278 -75.45463      94.28857 -256.1226      477.3409 -68.11919      96.18366 82.51073 38.75629 39.04179 18.01669 43.46894       42.73934 
1 1 1 -19 10 34 o 252.6419 8.667072 1895.971       128.2285 1962.611       487.3583 1891.015       132.9115 233.9236 36.73322 252.1844 9.001006 -18.26082      37.81994 
1 1 1 -19 10 35 o 55.50930 21.43363 72.78516       98.92229 -328.2437      420.3117 96.30148       101.7814 72.28127 34.63540 59.51990 22.01393 12.76138       41.03930 
1 1 1 -19 10 36 o 39.83600 18.12919 -44.71257      92.93751 99.73888       388.3385 -53.48859      95.71906 85.62965 38.17076 39.71217 18.19632 45.91748       42.28608 
1 1 1 -19 10 37 o 82.42039 20.28071 225.0297       97.35311 32.25116       398.4639 237.2677       100.3957 81.98457 37.39867 84.58639 20.46264 -2.601814      42.63074 
1 1 1 -19 10 38 o 130.6449 13.62552 528.1236       102.8663 553.3784       398.9398 526.3249       106.4664 110.5742 42.94802 130.1443 14.17775 -19.57008      45.22766 
1 1 1 -19 10 39 o 67.73763 21.50702 153.3328       95.97140 570.2488       345.0921 118.3849       99.91286 111.3802 40.64503 61.66519 21.95142 49.71506       46.19398 
1 1 1 -19 10 40 o 145.1539 13.12747 653.5133       110.5465 366.1879       386.8666 679.0599       115.3563 93.90618 39.99913 147.7811 13.45727 -53.87487      42.20224 
1 1 1 -19 10 41 f 111.7299 16.50073 403.9323       104.8751 -665.3646      389.9444 487.3092       108.8871 56.52462 28.26231 123.6192 15.34850 -67.09457      32.16108 
1 1 1 -19 10 42 f 47.87831 20.53941 23.28650       103.3288 13.32090       341.7063 24.28946       108.4038 71.39008 33.29071 48.84632 20.99750 22.54375       39.35945 
1 1 1 -19 10 43 o 103.0136 18.94326 358.6732       110.2298 773.6470       400.9766 324.7492       114.6469 115.0230 43.45852 96.56784 20.85421 18.45519       48.20312 
1 1 1 -19 10 44 o 146.0876 13.65982 675.5489       115.6762 129.7358       367.5529 735.5543       121.8690 75.58956 35.00116 152.3762 13.78621 -76.78661      37.61836 
1 1 1 -19 10 45 o 74.68794 23.46249 206.0733       114.4961 60.08104       389.3260 219.8953       119.7935 73.08360 34.53415 76.75584 23.98278 -3.672234      42.04499 
1 1 1 -19 11 1  o 555.4521 12.48452 9088.386       406.6953 8931.207       645.1121 9192.058       523.9234 548.3004 20.09562 557.5649 16.03886 -9.264587      25.71145 
1 1 1 -19 11 2  o 586.2233 15.18605 10152.26       521.6661 10015.11       709.4401 10313.71       769.7378 580.3462 20.87788 588.3533 22.34829 -8.007141      30.58320 
1 1 1 -19 11 3  o 1012.207 35.01839 31171.20       2075.685 0.000000       0.000000 31171.20       2075.685 ?        ?        1012.207 35.01839 0.000000       35.01839 
1 1 1 -19 11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 5  o 236.6333 11.79989 1653.109       163.2421 1587.861       211.5805 1749.075       256.5954 231.3013 15.69008 242.3300 18.18743 -11.02870      24.02002 
1 1 1 -19 11 6  o 296.7736 10.56046 2595.075       183.5125 2542.439       250.8736 2655.655       269.1398 293.0980 14.64093 299.4285 15.37770 -6.330536      21.23277 
1 1 1 -19 11 7  o 353.6489 10.66935 3684.466       221.0364 3802.822       328.9323 3587.017       298.4688 358.3368 15.68985 348.2238 14.64741 10.11292       21.46434 
1 1 1 -19 11 8  o 131.8817 16.87439 523.0756       127.5296 731.1030       162.2440 186.7399       206.2980 156.0306 18.06324 86.08615 31.42415 69.94446       36.24580 
1 1 1 -19 11 9  o 151.5853 13.66187 683.6234       120.1537 825.8646       147.5781 403.9425       206.9382 166.4523 15.28817 113.5563 30.45010 52.89606       34.07253 
1 1 1 -19 11 10 o 380.9082 10.33363 4274.385       230.6334 4565.215       360.6632 4073.181       299.9853 392.4914 15.69995 371.1516 13.80561 21.33987       20.90654 
1 1 1 -19 11 11 o 413.4438 9.385337 5029.351       227.5710 5184.605       321.3848 4873.225       322.2850 418.9116 13.09744 406.0168 13.55360 12.89478       18.84789 
1 1 1 -19 11 12 f 49.31692 20.30012 23.49614       94.59177 112.7319       112.4427 -192.5475      174.9576 65.64401 23.29545 49.12823 23.19516 16.51578       32.87391 
1 1 1 -19 11 13 o 488.0728 9.976285 7014.371       285.5643 7031.042       404.8152 6997.858       402.8896 487.4262 14.17617 486.2844 14.14187 1.141846       20.02389 
1 1 1 -19 11 14 o 323.6088 9.157469 3084.662       173.6238 3081.676       240.7438 3087.899       250.6373 322.7780 12.74251 322.9893 13.25963 -0.2112732     18.38992 
1 1 1 -19 11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 11 16 o 347.8319 11.43733 3573.949       232.9987 3562.270       305.4210 3590.210       360.3759 346.3319 15.07291 346.8386 17.77579 -0.5066833     23.30603 
1 1 1 -19 11 17 o 181.6505 12.86493 980.3105       136.1682 983.3748       162.7826 973.1696       248.4997 181.4202 15.44605 178.0422 24.44318 3.378021       28.91452 
1 1 1 -19 11 18 f 78.96416 23.19860 191.3680       114.5029 288.7858       133.9854 -72.45903      220.4946 96.00847 23.89162 64.42829 28.73836 31.58018       37.37249 
1 1 1 -19 11 19 o 518.9951 10.10688 7940.043       307.6317 8078.390       442.3991 7810.514       428.0687 521.8745 14.46828 513.2359 14.23527 8.638550       20.29714 
1 1 1 -19 11 20 f 224.1318 9.891445 1483.312       129.7008 1519.418       173.5867 1437.678       195.1504 226.2588 13.13810 219.6066 15.24680 6.652206       20.12647 
1 1 1 -19 11 21 o 145.9435 13.43297 635.4996       113.6870 605.6107       144.4335 684.1753       184.3187 141.5153 17.79512 149.5405 21.64526 -8.025162      28.02113 
1 1 1 -19 11 22 o 295.2741 9.452111 2570.932       163.4725 2405.414       225.0114 2755.950       237.8966 284.7688 13.51145 304.8986 13.33626 -20.12982      18.98460 
1 1 1 -19 11 23 o 43.17239 19.65525 -65.38920      109.3767 -142.0338      135.2427 79.52530       185.9639 43.60788 20.52872 71.47177 28.81842 -27.86390      35.38262 
1 1 1 -19 11 24 o 294.2309 9.401472 2553.735       162.0231 2321.873       221.4039 2821.069       237.7374 279.6415 13.54022 308.4002 13.17450 -28.75867      18.89193 
1 1 1 -19 11 25 o 198.2033 10.84088 1163.606       125.5362 1070.087       165.7437 1289.447       192.2638 189.1518 15.06527 207.5195 15.91903 -18.36768      21.91753 
1 1 1 -19 11 26 o 249.2016 9.742035 1835.195       142.1064 1797.316       193.5442 1879.501       209.3191 245.7471 13.48056 251.0984 14.27271 -5.351349      19.63251 
1 1 1 -19 11 27 o 179.5440 11.42674 958.1559       119.6973 1038.710       158.3244 850.6866       182.8720 186.1958 14.61571 167.1214 18.99458 19.07440       23.96692 
1 1 1 -19 11 28 o 141.9531 14.01792 605.7903       115.1805 457.9117       151.2480 809.9482       177.7135 120.9003 22.14693 162.8495 18.96157 -41.94923      29.15523 
1 1 1 -19 11 29 o 292.6631 9.184871 2532.508       157.4540 2305.050       223.0815 2758.309       222.2678 277.7744 13.73631 304.3975 12.47689 -26.62311      18.55691 
1 1 1 -19 11 30 o 136.0784 14.01636 558.4356       110.2619 538.7009       150.4280 581.3495       162.0922 131.7480 20.10436 136.6806 20.88271 -4.932541      28.98746 
1 1 1 -19 11 31 o 269.3811 9.502720 2150.612       149.8942 1992.480       218.4179 2291.389       206.0842 257.4588 14.52428 276.9238 12.72318 -19.46500      19.30892 
1 1 1 -19 11 32 o 168.2972 11.28829 846.7567       110.7737 462.3106       517.7093 865.2022       113.4000 119.9967 48.18872 170.0861 11.43470 -50.08943      49.52681 
1 1 1 -19 11 33 o 138.0022 13.83018 578.8816       110.4277 863.1234       486.0754 563.4130       113.3927 144.9231 48.56254 135.9124 14.44684 9.010727       50.66588 
1 1 1 -19 11 34 o 281.3063 8.410013 2350.109       138.5922 2304.903       498.1868 2353.901       144.2879 255.5477 34.09026 281.3856 8.753995 -25.83784      35.19628 
1 1 1 -19 11 35 o 34.05080 16.37822 -130.7606      96.02202 -375.5258      400.5769 -115.8388      98.90564 68.67834 33.13887 35.74965 17.04003 32.92870       37.26321 
1 1 1 -19 11 36 o 45.92741 19.67974 9.595553       94.65754 263.4823       397.9962 -5.626769      97.45393 94.53600 40.42737 44.78951 19.57574 49.74650       44.91750 
1 1 1 -19 11 37 o 64.43352 21.91095 131.0144       98.95438 -85.77368      409.6830 144.4456       101.9737 77.45884 36.22935 66.96017 22.23869 10.49867       42.51029 
1 1 1 -19 11 38 o 82.40296 24.75057 237.0995       129.1934 0.000000       0.000000 237.0995       129.1934 ?        ?        82.40296 24.75057 0.000000       24.75057 
1 1 1 -19 11 39 o 128.9357 14.33487 520.5678       106.5667 -64.72457      390.2907 567.7186       110.7761 74.30895 34.94794 134.7627 14.23072 -60.45373      37.73423 
1 1 1 -19 11 40 o 63.40212 22.01048 130.8852       100.0086 521.7883       376.2924 101.1749       103.7395 103.7354 41.27587 58.83034 22.13167 44.90504       46.83490 
1 1 1 -19 11 41 o 47.91959 20.52259 22.86972       102.8397 -295.7972      340.9138 54.77072       107.8644 60.91803 29.66787 52.53626 21.65678 8.381767       36.73144 
1 1 1 -19 11 42 o 94.24261 20.34180 306.3166       109.1313 702.5635       413.3672 276.6294       113.1456 109.8139 43.39968 88.38792 21.93185 21.42603       48.62652 
1 1 1 -19 11 43 o 44.64565 19.92541 -10.25511      106.1508 242.0203       422.8576 -27.22196      109.6623 82.92992 38.09021 43.74984 19.82444 39.18008       42.94034 
1 1 1 -19 11 44 o 59.66622 22.93770 110.9083       112.9393 143.5895       392.4345 107.9571       117.9285 76.72737 35.74510 59.62768 23.29625 17.09969       42.66647 
1 1 1 -19 11 45 o 35.14323 17.16621 -174.6239      116.5705 340.8620       414.3666 -218.9268      121.4765 84.70992 38.44467 34.10772 16.83107 50.60220       41.96758 
1 1 1 -19 12 1  o 511.3478 13.95964 7720.430       418.2487 7553.188       556.7280 7937.119       633.7065 504.3508 18.85494 516.2698 20.97326 -11.91907      28.20259 
1 1 1 -19 12 2  o 636.0050 16.08705 11966.69       599.5685 12501.65       852.9909 11444.27       842.9345 647.3729 22.50091 618.9960 23.26102 28.37689       32.36304 
1 1 1 -19 12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 12 4  o 224.8471 12.29259 1494.199       161.4827 1653.238       195.1018 1148.255       287.7482 236.2559 14.14560 194.1679 25.91532 42.08798       29.52460 
1 1 1 -19 12 5  o 85.67424 22.05282 226.9306       111.4578 113.2371       129.7514 547.0140       217.7087 68.09492 24.91121 132.3223 28.86773 -64.22741      38.13023 
1 1 1 -19 12 6  o 289.1554 10.40789 2464.006       176.2119 2449.528       240.8830 2480.672       258.4456 287.6673 14.32297 289.3077 15.28630 -1.640381      20.94800 
1 1 1 -19 12 7  f 217.3299 12.88719 1397.909       163.5212 1448.994       182.3368 1188.004       369.6066 221.0750 14.13729 195.0258 33.52246 26.04918       36.38157 
1 1 1 -19 12 8  o 406.3805 10.59271 4865.600       252.2435 5155.203       399.7999 4674.083       325.1213 416.9568 16.38125 397.6036 13.96431 19.35324       21.52550 
1 1 1 -19 12 9  o 246.0937 10.52407 1786.478       151.5412 1909.683       203.9239 1634.526       226.4678 253.9353 13.74410 234.3247 16.58645 19.61055       21.54091 
1 1 1 -19 12 10 o 417.5418 10.56731 5137.730       258.5627 5282.743       402.2092 5035.592       337.5549 421.9746 16.28287 412.6058 13.96964 9.368805       21.45420 
1 1 1 -19 12 11 o 126.2764 14.39559 477.4340       104.7092 526.8640       126.3257 368.9171       187.1738 132.2996 16.64890 108.4442 28.90598 23.85540       33.35778 
1 1 1 -19 12 12 o 520.9830 10.24800 7994.314       313.1218 8326.166       452.3646 7689.060       433.8571 530.3067 14.55868 509.6076 14.53128 20.69910       20.56972 
1 1 1 -19 12 13 o 361.6935 9.086688 3852.626       192.5984 3777.792       266.1523 3934.893       279.0563 357.4307 12.71688 364.7117 13.06755 -7.280945      18.23403 
1 1 1 -19 12 14 o 121.8255 14.14375 444.9678       99.17787 497.8229       120.8528 335.9552       173.5606 128.4935 16.41114 103.4165 27.95437 25.07697       32.41562 
1 1 1 -19 12 15 o 224.2178 10.99017 1486.259       144.0788 1593.212       175.7222 1266.862       251.6779 231.8016 12.97768 204.6090 21.28415 27.19258       24.92861 
1 1 1 -19 12 16 o 279.5051 11.11579 2308.429       181.8501 2350.485       232.1503 2241.643       292.5481 281.3936 14.11214 273.6387 18.33508 7.754974       23.13715 
1 1 1 -19 12 17 o 314.4164 11.21771 2921.005       206.5206 2884.912       266.1150 2975.658       327.4665 311.6479 14.60036 315.5629 17.76592 -3.914978      22.99562 
1 1 1 -19 12 18 o 660.1658 11.81811 12871.40       457.5636 13472.71       672.9219 12354.31       624.0263 672.6094 17.07271 644.3814 16.52601 28.22797       23.76102 
1 1 1 -19 12 19 o 141.0820 13.17665 593.8269       107.7642 592.8812       137.9089 595.3100       172.6962 140.1495 17.13428 139.2370 21.86836 0.9125214      27.78145 
1 1 1 -19 12 20 o 346.4404 9.261187 3537.358       187.9992 3418.532       263.0395 3661.441       268.7960 339.6727 13.22943 351.5968 13.05818 -11.92413      18.58854 
1 1 1 -19 12 21 o 442.4321 9.830902 5768.323       255.0883 5645.921       365.0464 5885.127       356.6006 436.2988 14.28563 445.6703 13.65938 -9.371429      19.76506 
1 1 1 -19 12 22 o 344.1465 9.622040 3492.494       194.0146 3283.107       267.2351 3725.866       282.1264 332.6976 13.72546 354.4939 13.59534 -21.79636      19.31894 
1 1 1 -19 12 23 o 183.0990 12.23429 995.4103       130.6220 919.2599       171.9336 1099.361       200.8808 174.9050 16.97450 191.1060 18.14035 -16.20107      24.84363 
1 1 1 -19 12 24 o 109.4682 17.88070 366.6949       110.8357 421.1420       140.1949 275.9409       180.9994 116.6159 21.28253 94.52798 29.47103 22.08794       36.35227 
1 1 1 -19 12 25 o 321.9951 9.217999 3059.213       173.8958 3127.442       247.7031 2992.907       244.1863 324.5719 13.03932 317.4717 13.14335 7.100189       18.51409 
1 1 1 -19 12 26 o 119.6315 16.12540 434.5305       110.2591 471.4615       145.6864 385.0158       168.6905 123.3849 20.87671 109.8368 26.49548 13.54809       33.73200 
1 1 1 -19 12 27 o 112.1938 17.47150 386.1295       111.2189 260.0946       146.1835 559.3530       171.3784 90.62020 26.09465 133.8453 22.63883 -43.22512      34.54631 
1 1 1 -19 12 28 o 267.0096 9.630282 2109.568       150.5582 1793.334       207.2418 2463.011       219.0953 244.7387 14.50361 287.4919 13.02828 -42.75314      19.49591 
1 1 1 -19 12 29 o 102.8658 18.31857 328.3379       106.4610 338.3612       146.9795 317.2751       154.4126 102.7078 24.70390 99.21300 26.16677 3.494766       35.98586 
1 1 1 -19 12 30 o 275.2070 15.96354 2283.468       256.5495 1718.710       544.8173 2444.376       290.8094 220.0605 43.75523 283.9688 17.54744 -63.90829      47.14269 
1 1 1 -19 12 31 o 162.4591 12.33473 791.2537       116.6450 0.000000       0.000000 791.2537       116.6450 ?        ?        162.4591 12.33473 0.000000       12.33473 
1 1 1 -19 12 32 o 94.51807 20.36900 285.2710       109.5782 212.4767       498.3051 288.9700       112.3278 104.0815 44.88270 95.02466 20.73956 9.056847       49.44275 
1 1 1 -19 12 33 f 42.28299 18.78502 -24.49161      93.24822 -277.9224      432.1282 -12.11436      95.49815 76.50143 36.21879 44.14028 19.33303 32.36115       41.05566 
1 1 1 -19 12 34 o 77.90273 20.60484 198.2176       95.57202 718.8309       429.9358 171.1545       98.02462 130.2235 45.60870 72.59419 21.50063 57.62933       50.42253 
1 1 1 -19 12 35 o 137.3496 12.47829 574.5222       99.41946 1124.256       416.5792 541.3198       102.3778 165.1543 42.69742 132.9538 13.30839 32.20050       44.72340 
1 1 1 -19 12 36 o 60.49117 21.31245 109.6997       93.97654 730.8553       423.3932 77.51180       96.38069 126.6500 45.17695 55.45244 21.22200 71.19756       49.91323 
1 1 1 -19 12 37 o 88.86670 23.14602 270.3614       121.8117 217.4120       425.5578 275.0869       127.1311 90.93874 40.28010 89.33807 23.82701 1.600677       46.79971 
1 1 1 -19 12 38 o 93.13805 19.11641 286.9731       100.9182 174.7957       413.1668 294.0903       104.0704 86.33024 38.85804 94.11195 19.49688 -7.781708      43.47500 
1 1 1 -19 12 39 o 171.0997 11.28947 893.1286       112.6522 416.7175       449.4444 925.0652       116.3668 97.68283 42.37405 174.0388 11.46458 -76.35597      43.89757 
1 1 1 -19 12 40 o 83.50622 21.77004 242.6444       107.6931 505.3672       395.2494 221.5760       111.9279 101.3167 41.57790 79.33554 22.82984 21.98113       47.43335 
1 1 1 -19 12 41 o 158.4923 12.51075 779.1714       115.3475 407.5271       402.6637 812.3948       120.3929 93.15866 40.26006 161.6465 12.80394 -68.48785      42.24705 
1 1 1 -19 12 42 o 107.8632 18.11602 387.7226       110.5419 -38.94052      420.4430 419.4062       114.5728 73.14698 34.93921 112.3460 17.99622 -39.19900      39.30155 
1 1 1 -19 12 43 o 62.95564 22.98027 132.5152       110.3251 -724.7851      402.6348 202.1065       114.7156 55.02646 27.68013 74.42092 23.49936 -19.39446      36.30991 
1 1 1 -19 12 44 o 62.80359 23.50760 131.6331       116.7267 95.90491       407.8022 134.8215       121.8239 75.21870 35.48268 63.50029 23.96258 11.71841       42.81619 
1 1 1 -19 12 45 o 73.67827 24.72827 204.9486       126.0294 329.9208       382.5833 189.7364       133.4796 83.53693 37.51375 71.21129 25.36987 12.32564       45.28700 
1 1 1 -19 13 1  o 188.2245 14.51810 1052.439       159.0264 1063.356       186.7390 1023.627       303.3717 188.7474 17.05332 182.0650 29.41416 6.682404       34.00012 
1 1 1 -19 13 2  o 320.9394 11.84699 3039.024       222.6053 2957.133       276.2841 3190.556       375.8267 316.0049 14.95012 327.1207 19.68078 -11.11578      24.71516 
1 1 1 -19 13 3  o 203.6180 11.99115 1225.994       142.5609 1118.044       178.3432 1417.058       237.2660 193.7951 15.82924 217.7275 18.76400 -23.93240      24.54898 
1 1 1 -19 13 4  o 442.6592 12.78121 5783.624       331.4646 5544.773       431.1474 6128.828       518.3234 432.3174 17.03821 453.7392 19.52367 -21.42178      25.91282 
1 1 1 -19 13 5  o 357.4758 10.34960 3764.704       216.7522 3588.103       310.3830 3932.809       302.8245 348.0357 15.24328 364.6412 14.18744 -16.60553      20.82405 
1 1 1 -19 13 6  o 155.0972 12.89052 714.4579       116.1944 699.5562       139.1216 748.8278       211.2836 152.9826 15.72997 156.5428 23.75879 -3.560196      28.49407 
1 1 1 -19 13 7  o 491.2866 14.28828 7137.540       411.2478 7681.285       548.6400 6440.239       621.2977 508.2683 18.43589 463.5789 22.92317 44.68939       29.41689 
1 1 1 -19 13 8  o 176.6546 11.99277 924.3246       123.5130 875.9739       155.5967 1006.694       203.0875 171.3375 15.65738 183.0305 19.20518 -11.69307      24.77887 
1 1 1 -19 13 9  o 258.4260 9.920722 1968.875       150.0800 1852.943       198.6323 2123.105       229.1047 250.0973 13.59333 267.5466 14.65704 -17.44925      19.99018 
1 1 1 -19 13 10 o 262.8204 10.16381 2037.117       156.3675 2119.637       215.3931 1945.167       227.3665 267.4700 13.77755 255.9011 15.21842 11.56891       20.52855 
1 1 1 -19 13 11 o 345.5486 9.798429 3518.556       198.3707 3520.833       293.9232 3516.651       268.8302 344.6441 14.57451 344.7429 13.32141 -0.9878540E-01 19.74529 
1 1 1 -19 13 12 o 638.6296 13.10955 12051.78       491.0066 11824.42       811.4540 12183.11       616.7235 627.8283 22.07236 640.5010 16.43156 -12.67267      27.51700 
1 1 1 -19 13 13 o 263.8411 9.131097 2051.653       141.0785 2136.388       188.9581 1944.926       212.0656 268.7497 12.01897 255.9586 14.18244 12.79111       18.59025 
1 1 1 -19 13 14 o 178.0378 10.74551 937.9847       111.6770 849.9951       142.7466 1076.809       179.3010 168.7893 14.56243 189.7567 16.26829 -20.96741      21.83396 
1 1 1 -19 13 15 o 244.5931 9.184154 1764.076       131.5109 1636.177       172.4156 1942.006       203.3609 234.9731 12.55706 255.8269 13.60300 -20.85384      18.51274 
1 1 1 -19 13 16 o 162.3126 11.57972 781.6461       109.5062 655.1682       136.5225 1009.828       183.3739 147.6893 16.01791 183.4273 17.24846 -35.73798      23.53896 
1 1 1 -19 13 17 o 453.3836 12.65539 6081.645       336.1762 6296.095       465.7274 5848.354       485.7547 459.5506 17.31112 442.2466 18.77115 17.30396       25.53489 
1 1 1 -19 13 18 o 370.0963 11.55872 4047.781       250.5775 4169.878       338.6911 3900.132       372.4499 374.5113 15.45334 361.4298 17.62401 13.08151       23.43953 
1 1 1 -19 13 19 o 506.3287 13.58404 7593.663       403.0134 8089.201       574.9037 7114.854       565.1165 520.1982 18.87541 487.3479 19.81321 32.85028       27.36502 
1 1 1 -19 13 20 f 61.17725 22.80310 87.62087       109.6046 104.6794       135.7262 55.64325       185.8302 67.35474 25.31984 69.17075 28.46078 -1.816010      38.09344 
1 1 1 -19 13 21 o 342.0819 9.458474 3449.916       189.5766 3341.596       260.7697 3571.336       276.0892 335.7950 13.26747 347.0746 13.58990 -11.27960      18.99239 
1 1 1 -19 13 22 o 57.71276 22.23046 68.20602       106.2289 68.17857       130.5752 68.25974       182.6806 61.79006 24.40084 69.85862 28.41892 -8.068558      37.45712 
1 1 1 -19 13 23 f 203.4515 10.84058 1225.303       128.8823 1250.207       172.1465 1193.539       194.4121 204.7815 14.42596 199.4857 16.77251 5.295807       22.12297 
1 1 1 -19 13 24 o 181.7382 11.64359 980.5436       123.4506 1046.416       164.2816 895.0934       187.1080 187.0059 15.10752 171.8680 18.87309 15.13791       24.17500 
1 1 1 -19 13 25 o 142.3866 14.35610 608.5515       118.2475 648.7584       157.5221 556.6447       178.9798 145.8945 18.85004 133.4958 23.73006 12.39871       30.30577 
1 1 1 -19 13 26 o 109.6412 18.06147 369.8601       112.0983 215.1446       145.5064 595.7650       175.8240 83.67318 26.47161 138.3870 22.43089 -54.71386      34.69714 
1 1 1 -19 13 27 o 365.6584 9.863911 3954.552       211.3384 3735.640       327.0312 4111.530       276.9326 353.0106 15.83646 371.8045 12.71888 -18.79388      20.31165 
1 1 1 -19 13 28 o 163.7763 12.39010 801.4191       118.1253 894.3357       157.3700 681.5014       178.7792 172.1109 15.76555 148.2744 21.15833 23.83649       26.38613 
1 1 1 -19 13 29 o 462.4346 8.867887 6316.811       240.5033 5746.004       656.9495 6405.151       258.4448 428.4225 26.27259 465.4196 9.468312 -36.99704      27.92665 
1 1 1 -19 13 30 o 249.0182 9.247270 1837.046       134.8156 2149.109       528.8001 1815.353       139.4228 251.9069 36.88606 247.4364 9.626065 4.470413       38.12142 
1 1 1 -19 13 31 o 154.5805 14.84390 724.9519       132.9196 463.2397       517.6296 743.4271       137.5312 120.1766 48.21117 156.4360 15.18107 -36.25939      50.54485 
1 1 1 -19 13 32 o 122.8390 15.31229 463.2856       107.9245 570.1796       498.4491 458.0279       110.5468 123.4810 47.99382 121.9460 15.83035 1.534996       50.53718 
1 1 1 -19 13 33 o 121.2316 14.35577 451.1160       100.0903 277.6634       459.0258 459.7746       102.5581 101.8241 43.47686 122.3184 14.58331 -20.49429      45.85750 
1 1 1 -19 13 34 o 197.0647 10.23764 1164.141       117.9146 1447.487       468.4488 1144.974       121.8375 189.5319 43.11849 195.2438 10.68097 -5.711884      44.42170 
1 1 1 -19 13 35 o 43.79062 19.40073 -18.02755      98.77522 0.000000       0.000000 -18.02755      98.77522 ?        ?        43.79062 19.40073 0.000000       19.40073 
1 1 1 -19 13 36 o 125.2194 14.49904 486.8656       104.5131 916.8467       445.9813 461.8802       107.5068 139.4516 46.51274 121.4850 15.43721 17.96655       49.00758 
1 1 1 -19 13 37 o 161.1594 11.69567 791.2852       109.7908 429.0650       432.4065 816.2461       113.5107 101.6403 42.74113 163.5791 11.91368 -61.93884      44.37049 
1 1 1 -19 13 38 o 49.64812 20.82782 33.64428       102.2986 359.7193       392.8133 9.920392       105.9547 94.98909 40.37737 47.57771 20.60673 47.41138       45.33176 
1 1 1 -19 13 39 o 99.91848 18.50379 329.6491       104.4396 210.5265       407.2572 338.0347       108.0530 85.89034 38.62645 100.9473 18.94690 -15.05701      43.02311 
1 1 1 -19 13 40 o 138.6078 13.94841 603.2587       111.8468 661.9576       406.2270 598.4438       116.3435 110.6496 43.23543 137.5954 14.64204 -26.94580      45.64747 
1 1 1 -19 13 41 o 67.41895 22.90163 157.0395       108.1016 -121.8348      425.1238 176.3180       111.7757 71.41368 34.37817 70.69885 23.27519 0.7148285      41.51617 
1 1 1 -19 13 42 o 130.1708 14.88084 541.8641       111.5646 443.1480       405.7385 549.9382       116.0374 92.93736 40.28854 130.7510 15.42900 -37.81366      43.14186 
1 1 1 -19 13 43 o 105.7699 19.18186 381.6178       114.6076 405.8208       429.3087 379.7606       118.9235 88.92896 39.85220 104.8210 20.07576 -15.89207      44.62325 
1 1 1 -19 13 44 o 51.14621 22.40949 23.47250       128.4107 43.70238       462.9796 21.78658       133.6544 75.23418 36.12923 51.71854 22.75476 23.51565       42.69778 
1 1 1 -19 14 1  o 438.7928 11.15322 5675.247       286.7862 5221.776       409.5796 6111.413       401.6892 419.5389 16.67946 454.3893 15.09436 -34.85040      22.49543 
1 1 1 -19 14 2  o 623.7084 15.78918 11518.85       577.0885 11751.98       805.3992 11272.88       827.2939 627.1860 21.92972 613.6718 23.02736 13.51428       31.79893 
1 1 1 -19 14 3  o 156.8618 13.87101 732.2089       126.2936 724.3218       143.4412 759.4069       266.3700 155.6445 15.93898 155.8802 30.22809 -0.2356567     34.17292 
1 1 1 -19 14 4  o 277.4290 11.39914 2271.728       185.0753 2305.810       226.1102 2202.539       322.1607 279.0753 13.85827 271.2245 20.40275 7.850800       24.66422 
1 1 1 -19 14 5  o 400.6454 10.77704 4731.188       252.9970 4856.368       379.3632 4630.919       339.5259 404.6712 16.01625 395.5120 14.66274 9.159210       21.71443 
1 1 1 -19 14 6  o 385.1553 10.28284 4371.027       232.0656 4511.352       352.2477 4263.414       308.4723 390.1306 15.42568 379.6312 13.87827 10.49939       20.74989 
1 1 1 -19 14 7  o 297.0013 26.42931 2677.635       455.5536 0.000000       0.000000 2677.635       455.5536 ?        ?        297.0013 26.42931 0.000000       26.42931 
1 1 1 -19 14 8  o 220.0473 10.29546 1429.114       132.4972 1320.964       169.8391 1597.285       211.7877 210.9833 13.80162 231.7140 15.67698 -20.73067      20.88665 
1 1 1 -19 14 9  o 276.4204 9.938814 2252.811       160.8599 2342.685       226.2640 2160.963       228.7365 281.1956 13.76187 269.8873 14.50444 11.30838       19.99419 
1 1 1 -19 14 10 o 456.3154 10.76391 6137.019       288.0618 6231.763       458.0776 6075.044       370.4846 457.7565 17.09297 453.0138 13.96133 4.742676       22.07008 
1 1 1 -19 14 11 o 105.5015 16.53519 338.0933       98.95113 313.8891       120.3084 388.7022       173.9662 100.6486 21.05907 111.1578 26.96471 -10.50915      34.21374 
1 1 1 -19 14 12 o 303.3099 9.629900 2712.156       171.0835 2667.336       245.4224 2754.526       238.6183 299.9033 13.99205 304.9217 13.37590 -5.018402      19.35696 
1 1 1 -19 14 13 o 395.2297 13.29151 4624.642       307.6494 0.000000       0.000000 4624.642       307.6494 ?        ?        395.2297 13.29151 0.000000       13.29151 
1 1 1 -19 14 14 o 281.1291 9.977552 2331.886       164.2446 2247.882       198.6286 2513.509       292.0636 275.5663 12.32154 290.1533 17.24098 -14.58704      21.19131 
1 1 1 -19 14 15 o 260.7493 10.94824 2009.246       167.0516 2189.038       214.2435 1730.414       266.8050 271.6533 13.48972 240.0029 19.11291 31.65034       23.39393 
1 1 1 -19 14 16 o 108.7686 17.54481 360.8334       108.1115 379.9389       123.2435 297.0474       225.1895 111.1927 19.61567 99.60442 33.04648 11.58828       38.42973 
1 1 1 -19 14 17 o 234.4916 11.42767 1626.899       156.6844 1736.321       194.9978 1427.530       263.2114 241.7813 13.80913 217.2978 20.91166 24.48351       25.05972 
1 1 1 -19 14 18 o 307.8230 11.52811 2801.179       207.7503 3011.476       269.9133 2495.502       325.4160 318.4505 14.49010 288.3784 19.35295 30.07202       24.17643 
1 1 1 -19 14 19 o 101.2649 20.37670 317.4459       116.8210 374.7652       147.4191 220.6961       191.5263 109.5179 23.64522 88.15861 30.46712 21.35930       38.56607 
1 1 1 -19 14 20 o 372.7726 11.06884 4103.941       241.7216 4011.482       287.8218 4325.239       445.2838 367.9493 13.36001 379.6606 20.06948 -11.71133      24.10962 
1 1 1 -19 14 21 o 81.18199 22.47891 204.5035       110.6814 302.5841       137.0314 20.42493       187.7284 98.19860 24.00001 66.17883 28.01275 32.01978       36.88787 
1 1 1 -19 14 22 o 352.6243 9.583341 3667.646       198.0053 3494.321       279.0118 3843.503       281.0429 343.0786 13.89562 360.0104 13.33393 -16.93179      19.25830 
1 1 1 -19 14 23 o 151.1777 13.46079 682.7075       118.0994 711.1445       155.8167 644.3170       181.0436 153.3369 17.64821 144.6207 22.04105 8.716217       28.23592 
1 1 1 -19 14 24 f 187.0791 11.41506 1038.737       124.6471 1026.122       166.6950 1054.736       187.7287 185.0038 15.50607 187.0884 17.30541 -2.084595      23.23608 
1 1 1 -19 14 25 o 167.1216 12.48543 832.6859       121.4889 830.7903       158.8793 835.3548       188.5208 165.9105 16.54889 165.3659 19.83376 0.5445862      25.83106 
1 1 1 -19 14 26 o 130.7932 15.41822 517.6624       115.9987 406.1482       153.8901 664.3898       176.5230 113.2211 23.92594 146.6224 21.13795 -33.40129      31.92591 
1 1 1 -19 14 27 o 65.14054 22.47743 119.9600       104.2305 70.86569       138.7297 183.5921       157.9401 62.81853 25.04012 79.59160 27.65862 -16.77307      37.30961 
1 1 1 -19 14 28 o 160.6489 11.55213 769.7318       108.1137 778.9494       491.8145 769.2637       110.8246 146.5155 48.84378 160.5284 11.85521 -14.01291      50.26192 
1 1 1 -19 14 29 o 111.3611 17.41572 382.6335       110.0197 339.0391       495.1286 384.8978       112.8407 114.2988 46.67762 111.5644 17.84732 2.734444       49.97327 
1 1 1 -19 14 30 o 244.4274 11.05495 1779.293       158.0634 2766.394       542.4095 1687.690       165.2349 289.3752 32.52301 237.7531 11.88789 51.62204       34.62756 
1 1 1 -19 14 31 o 51.67714 22.05026 11.06722       117.9307 -247.6521      498.2969 26.41832       121.3790 84.79566 39.75585 54.01856 22.67588 30.77710       45.76814 
1 1 1 -19 14 32 o 139.1588 13.57232 588.8748       109.3621 845.6724       483.6273 575.0360       112.2702 141.9201 48.43606 137.2904 14.14582 4.629745       50.45945 
1 1 1 -19 14 33 o 214.2039 9.418694 1369.176       118.0336 1244.445       485.0034 1377.029       121.6923 171.3639 46.90125 214.7106 9.689014 -43.34676      47.89158 
1 1 1 -19 14 34 o 152.1149 16.05478 719.5836       141.0695 0.000000       0.000000 719.5836       141.0695 ?        ?        152.1149 16.05478 0.000000       16.05478 
1 1 1 -19 14 35 o 92.43883 18.73259 277.3491       98.07262 422.5681       432.3162 269.4703       100.6979 104.5466 43.25180 90.75186 19.50096 13.79476       47.44476 
1 1 1 -19 14 36 o 39.80598 18.18704 -47.29303      94.71821 17.98010       413.2647 -50.91196      97.30850 81.43052 37.49414 40.09446 18.36224 41.33606       41.74904 
1 1 1 -19 14 37 o 149.2648 12.81603 685.9022       111.1069 66.36627       413.4707 734.1203       115.3496 81.76749 37.59615 154.4336 12.85211 -72.66612      39.73220 
1 1 1 -19 14 38 o 35.92155 17.04602 -98.36071      96.79002 -129.8549      385.0188 -96.23610      100.0015 71.44502 33.93047 36.83597 17.43477 34.60905       38.14771 
1 1 1 -19 14 39 o 139.9790 13.94961 613.3657       112.9955 351.6104       397.0308 636.4360       117.8699 92.36924 39.94826 142.3772 14.30986 -50.00791      42.43390 
1 1 1 -19 14 40 o 153.6681 12.65202 733.1639       113.0143 587.0103       399.5171 745.8762       117.8268 104.7255 42.23530 154.6891 13.11112 -49.96362      44.22355 
1 1 1 -19 14 41 o 111.9130 17.15961 411.6933       109.0392 40.28869       399.8965 441.5244       113.3336 75.04918 35.32076 115.9370 17.18784 -40.88783      39.28076 
1 1 1 -19 14 42 o 40.22956 18.79296 -70.53223      109.6719 -119.1513      399.5405 -66.57038      114.0529 68.92467 33.21725 41.40646 19.28342 27.51821       38.40880 
1 1 1 -19 14 43 o 77.33633 24.03677 222.7244       120.5048 -64.65271      431.7056 247.0082       125.4930 71.18876 34.36312 81.09097 24.40189 -9.902214      42.14589 
1 1 1 -19 14 44 o 37.87252 18.36091 -159.9342      126.6646 -349.2471      408.5218 -139.7989      133.2304 62.08559 30.67959 40.15703 19.30936 21.92856       36.25036 
1 1 1 -19 15 1  o 188.0086 12.69252 1047.697       139.1308 1003.215       156.6199 1214.167       302.9867 183.6233 14.66528 199.1362 26.60848 -15.51286      30.38226 
1 1 1 -19 15 2  o 504.9140 24.13476 7663.024       712.6097 0.000000       0.000000 7663.024       712.6097 ?        ?        504.9140 24.13476 0.000000       24.13476 
1 1 1 -19 15 3  o 281.6592 11.64614 2342.744       191.9634 2385.223       235.5611 2258.762       331.2149 283.7247 14.20165 274.4712 20.72931 9.253510       25.12750 
1 1 1 -19 15 4  o 254.9475 10.61624 1917.878       158.3874 1872.995       208.5488 1979.051       243.4716 251.3243 14.20675 257.9472 16.17554 -6.622849      21.52858 
1 1 1 -19 15 5  o 192.2639 11.91552 1094.340       133.6970 1157.963       156.8153 925.0080       255.8294 197.5144 13.62093 173.5034 25.93631 24.01102       29.29543 
1 1 1 -19 15 6  o 79.06972 21.14440 193.2055       99.95130 218.3067       116.5726 123.5267       194.2224 84.01313 22.99373 77.48441 30.00217 6.528717       37.80002 
1 1 1 -19 15 7  o 61.38740 26.63001 -18.42736      177.5171 0.000000       0.000000 -18.42736      177.5171 ?        ?        61.38740 26.63001 0.000000       26.63001 
1 1 1 -19 15 8  o 352.1223 9.957199 3654.613       205.4211 3805.656       308.8472 3534.781       275.0923 358.2487 14.73113 345.5273 13.60175 12.72137       20.05028 
1 1 1 -19 15 9  o 167.5330 11.69289 832.0974       114.1664 963.0534       144.0546 610.9360       187.2057 179.9411 13.75468 140.8373 23.49172 39.10379       27.22228 
1 1 1 -19 15 10 f 231.3889 9.672579 1579.567       130.9714 1529.294       171.1509 1650.608       203.4521 227.1329 12.90144 235.6060 14.79873 -8.473129      19.63287 
1 1 1 -19 15 11 o 480.6891 10.93700 6814.195       308.3281 6722.488       490.3444 6874.167       396.5288 474.9865 17.63291 481.7151 14.05071 -6.728699      22.54644 
1 1 1 -19 15 12 o 70.16394 20.20528 150.6073       87.64225 119.7656       103.3697 229.4651       165.2902 65.58560 22.39268 87.62645 28.26701 -22.04085      36.06184 
1 1 1 -19 15 13 o 143.6243 12.31973 613.8347       102.7703 551.3885       126.3295 736.0307       176.7179 135.3076 16.24399 155.7423 19.79399 -20.43477      25.60604 
1 1 1 -19 15 14 o 170.4103 12.05562 861.9678       119.7080 806.4495       140.4392 1009.484       228.9234 164.3039 14.73053 182.1546 21.86541 -17.85077      26.36446 
1 1 1 -19 15 15 o 494.6254 13.20216 7242.781       382.6339 7241.772       524.9719 7243.923       558.8693 492.4965 18.20667 491.9734 19.40756 0.5231018      26.61083 
1 1 1 -19 15 16 o 329.3270 11.26601 3204.511       217.2742 3497.071       290.4718 2832.901       327.3711 343.2232 14.46276 307.7227 18.22128 35.50052       23.26341 
1 1 1 -19 15 17 o 234.8349 12.10110 1633.341       166.1005 1862.000       208.4249 1235.364       274.9695 250.3096 14.25677 201.1223 23.77053 49.18736       27.71811 
1 1 1 -19 15 18 o 432.7640 9.803160 5518.605       248.8100 5838.222       362.8104 5234.829       341.8639 443.8061 13.95649 420.2450 13.88984 23.56104       19.69038 
1 1 1 -19 15 19 o 172.2106 13.91232 883.7655       139.3157 797.0101       160.6688 1146.633       279.6740 162.8026 17.08158 193.1395 25.29809 -30.33690      30.52497 
1 1 1 -19 15 20 o 153.9239 13.55072 706.7238       121.0785 784.0231       153.7385 580.4683       196.4808 161.5676 16.45410 136.3731 25.50371 25.19450       30.35089 
1 1 1 -19 15 21 o 155.6159 13.11765 721.8068       118.6046 616.2204       151.4504 889.2543       190.7242 142.4808 18.56553 171.3660 19.31311 -28.88519      26.78946 
1 1 1 -19 15 22 o 195.6297 11.31925 1134.528       129.3137 1162.008       173.3631 1100.062       194.1520 197.1710 15.10718 191.1879 17.50955 5.983109       23.12599 
1 1 1 -19 15 23 o 90.88722 21.18228 258.7202       110.8112 350.8327       142.8806 119.6961       175.5331 105.5469 23.66758 74.03889 28.56126 31.50801       37.09313 
1 1 1 -19 15 24 o 95.11959 20.69534 283.2039       112.1597 267.8038       146.6729 304.8905       174.0543 92.06613 26.01793 98.00734 28.54904 -5.941208      38.62616 
1 1 1 -19 15 25 o 102.5712 19.50758 327.2479       113.0618 374.6736       147.2435 259.1131       176.4873 108.7498 23.75297 91.32605 29.18439 17.42371       37.62887 
1 1 1 -19 15 26 o 159.8254 17.79891 777.3819       164.0086 222.3390       486.6000 848.5175       174.2017 108.9374 45.54356 166.9633 18.07826 -58.02592      49.00040 
1 1 1 -19 15 27 o 170.6834 11.33387 867.6528       112.8113 400.8604       477.0490 895.3029       116.1044 118.6663 46.70794 173.3578 11.48445 -54.69146      48.09910 
1 1 1 -19 15 28 f 106.2136 20.80601 355.0187       124.9661 0.000000       0.000000 355.0187       124.9661 ?        ?        106.2136 20.80601 0.000000       20.80601 
1 1 1 -19 15 29 o 165.2005 11.77673 816.0141       113.3519 1698.851       559.0081 778.1579       115.7567 215.6097 45.63269 161.1507 12.34187 54.45906       47.27223 
1 1 1 -19 15 30 o 96.42107 23.21580 300.8680       129.7011 851.2078       525.7792 265.2083       133.8372 146.4842 50.48634 90.31085 24.60518 56.17332       56.16303 
1 1 1 -19 15 31 o 179.3927 10.29453 960.9869       107.8535 542.7579       494.4864 981.8771       110.5143 121.2684 47.60777 181.2926 10.43826 -60.02416      48.73866 
1 1 1 -19 15 32 o 292.2358 8.544619 2536.909       146.2884 2454.120       525.0983 2543.875       152.3188 262.8484 34.92676 292.4823 8.890126 -29.63394      36.04044 
1 1 1 -19 15 33 o 130.9068 13.65769 525.1474       103.3146 267.3207       456.9869 539.0350       106.0606 98.93485 42.82316 132.5650 13.84581 -33.63013      45.00589 
1 1 1 -19 15 34 o 62.57907 22.04863 117.8445       100.5814 -269.0263      446.9159 138.4852       103.2297 75.12956 35.92329 66.30648 22.38062 8.823082       42.32464 
1 1 1 -19 15 35 o 32.90679 15.96913 -148.7260      96.42886 -362.6742      427.3966 -137.2510      98.98103 70.01703 33.89297 34.22041 16.50236 35.79662       37.69697 
1 1 1 -19 15 36 o 43.28309 19.33603 -22.81303      100.2195 -21.31398      406.7341 -22.90992      103.4077 78.69139 36.56879 43.95949 19.63949 34.73190       41.50887 
1 1 1 -19 15 37 o 79.89000 21.71693 218.6893       104.3989 177.2091       415.3468 221.4867       107.8618 86.07175 38.83150 80.21562 22.18285 5.856125       44.72096 
1 1 1 -19 15 38 o 93.51248 18.98617 291.0378       100.5658 780.6957       396.7340 257.4148       103.9612 123.7167 43.77183 86.90283 20.69577 36.81382       48.41785 
1 1 1 -19 15 39 o 37.80776 17.83258 -89.00768      102.9400 -757.5260      379.7023 -35.97436      106.9451 53.94952 27.10365 42.88969 19.49098 11.05983       33.38422 
1 1 1 -19 15 40 o 183.3530 11.59412 1034.381       124.0357 302.8884       385.8817 1118.667       130.9870 87.02296 38.46006 190.5598 11.77807 -103.5368      40.22311 
1 1 1 -19 15 41 o 101.2353 19.92648 351.0056       114.0937 366.0922       414.3761 349.7680       118.6810 89.06070 39.58129 100.3854 20.84128 -11.32466      44.73296 
1 1 1 -19 15 42 o 113.1895 18.55820 431.6542       118.9292 173.2714       434.8582 452.5428       123.6431 79.63590 37.27301 115.6945 18.87243 -36.05863      41.77853 
1 1 1 -19 15 43 o 59.49147 23.65111 104.2648       123.4455 -422.1527      423.4757 153.1516       129.0503 61.70564 30.62301 66.32042 24.73880 -4.614780      39.36721 
1 1 1 -19 15 44 o 102.0905 23.32938 384.6388       136.6202 364.6288       428.3138 386.9053       144.1500 84.82830 38.72584 101.2350 24.53784 -16.40666      45.84536 
1 1 1 -19 16 1  o 431.8182 12.69854 5509.811       321.2427 5445.205       419.6943 5601.209       499.1882 428.0757 16.74947 433.0868 19.70508 -5.011108      25.86184 
1 1 1 -19 16 2  o 402.7996 12.28776 4792.559       289.9373 4786.262       377.8876 4801.571       452.0816 401.4977 16.08083 401.0607 19.27656 0.4370422      25.10337 
1 1 1 -19 16 3  o 300.0403 11.46148 2658.498       201.3128 2609.303       246.7986 2756.311       348.0028 296.6847 14.22539 303.4825 19.65810 -6.797821      24.26526 
1 1 1 -19 16 4  o 221.3408 11.22887 1448.128       145.2870 1278.223       167.1495 1973.178       293.8337 207.4771 13.81547 256.5409 19.67991 -49.06383      24.04509 
1 1 1 -19 16 5  o 130.7552 14.65408 512.2258       110.4435 546.4450       130.7775 427.1292       206.2311 134.6450 16.93495 116.2431 30.03682 18.40192       34.48193 
1 1 1 -19 16 6  o 108.0049 17.05685 354.6271       104.4596 283.4381       122.8922 539.9907       198.3033 95.39593 22.35787 131.4253 26.64086 -36.02938      34.77944 
1 1 1 -19 16 7  f 246.8501 10.13133 1798.208       146.3613 1936.871       194.4346 1616.901       222.3314 255.6938 13.00866 232.8386 16.38617 22.85518       20.92204 
1 1 1 -19 16 8  o 244.9805 9.915563 1770.788       142.1677 1860.916       192.9776 1663.815       210.2409 250.5655 13.17846 236.4502 15.24217 14.11534       20.14933 
1 1 1 -19 16 9  o 153.2040 12.03105 697.1616       107.2330 748.2697       132.0063 598.0033       183.8715 158.3380 14.37179 139.2803 23.33458 19.05772       27.40531 
1 1 1 -19 16 10 o 231.6341 9.770439 1583.358       132.4313 1513.483       175.7614 1675.125       201.4226 225.8365 13.32952 237.3711 14.53845 -11.53465      19.72416 
1 1 1 -19 16 11 o 99.14236 16.76901 299.9343       94.02985 291.5858       113.9428 317.7579       166.4875 96.93578 20.67374 100.5808 27.45912 -3.644981      34.37160 
1 1 1 -19 16 12 o 144.6523 12.55489 622.9384       105.4558 707.1036       132.9115 479.9193       173.2581 153.7341 14.92926 124.0290 24.68715 29.70515       28.85028 
1 1 1 -19 16 13 f 138.3899 13.16795 571.4807       105.5878 548.4520       129.8861 616.3530       181.3078 134.8121 16.79087 141.5488 22.59999 -6.736649      28.15480 
1 1 1 -19 16 14 o 181.7657 11.95944 979.9517       126.7808 921.5065       151.6971 1115.340       230.8841 175.6864 14.86203 191.8754 20.85245 -16.18895      25.60673 
1 1 1 -19 16 15 o 571.4421 12.20901 9647.779       409.1695 8912.871       637.8282 10161.71       533.3842 545.4946 19.97085 584.9000 15.56303 -39.40540      25.31882 
1 1 1 -19 16 16 o 304.9731 11.40001 2748.990       203.5410 3049.981       266.2632 2325.813       315.7143 320.5766 14.19735 278.3426 19.46298 42.23395       24.09092 
1 1 1 -19 16 17 o 274.9185 11.74444 2235.697       188.9230 2455.553       243.6040 1903.909       299.2570 287.5042 14.49415 251.3846 20.47526 36.11966       25.08619 
1 1 1 -19 16 18 o 343.3099 11.66980 3484.097       234.6219 3441.500       304.2802 3546.561       368.4691 340.2273 15.28850 344.3765 18.30968 -4.149231      23.85336 
1 1 1 -19 16 19 o 288.4491 9.847951 2455.071       166.3521 2501.491       224.5820 2398.641       247.6158 290.4484 13.21890 283.9697 14.92046 6.478699       19.93388 
1 1 1 -19 16 20 o 173.1033 12.21131 890.1921       123.1749 971.5010       157.4759 762.0452       197.6966 180.2950 15.02950 157.7336 21.96610 22.56148       26.61570 
1 1 1 -19 16 21 o 216.5427 10.85463 1388.002       137.4112 1564.434       186.2108 1177.058       203.6103 229.2591 13.91482 197.7663 17.74321 31.49281       22.54870 
1 1 1 -19 16 22 o 104.5303 19.19329 337.5066       113.3289 291.7572       143.6713 412.8568       184.3824 96.08529 25.19178 113.7319 27.86565 -17.64664      37.56488 
1 1 1 -19 16 23 o 265.3213 9.975974 2081.261       154.9543 2080.485       216.7738 2082.073       221.5823 264.2191 14.03957 264.2249 14.35306 -0.5828857E-02 20.07785 
1 1 1 -19 16 24 o 262.7270 10.00018 2042.371       153.8046 2191.119       221.6613 1904.261       213.5884 270.9955 13.99429 252.4278 14.48833 18.56770       20.14328 
1 1 1 -19 16 25 o 82.58885 21.58572 215.1339       105.6997 263.4723       506.7545 212.9352       108.0769 112.7382 46.75113 82.17239 21.99288 30.56585       51.66580 
1 1 1 -19 16 26 o 143.5499 13.41092 618.7783       111.5980 630.4537       494.4109 618.1514       114.5543 135.5692 48.76458 143.3802 13.79295 -7.811050      50.67771 
1 1 1 -19 16 27 o 125.0478 15.78513 475.9590       113.1898 571.3537       495.7470 470.7125       116.2608 130.4175 48.51880 124.1806 16.36118 6.236931       51.20315 
1 1 1 -19 16 28 o 129.3958 15.33534 509.2783       114.1163 485.3254       567.4666 510.2878       116.4962 125.3194 50.40785 129.4260 15.66603 -4.106651      52.78613 
1 1 1 -19 16 29 o 76.33568 23.03887 184.1411       111.7458 -771.6128      548.5621 225.5185       114.1391 75.69036 37.02887 83.79899 22.67710 -8.108627      43.42105 
1 1 1 -19 16 30 o 100.1073 20.64229 320.4866       117.1646 1458.843       537.7707 263.7587       120.0485 192.3357 47.86592 90.08450 22.72734 102.2512       52.98753 
1 1 1 -19 16 31 o 108.1098 19.84168 373.2464       121.1693 0.000000       0.000000 373.2464       121.1693 ?        ?        108.1098 19.84168 0.000000       19.84168 
1 1 1 -19 16 32 o 128.3913 14.58410 507.5407       107.8724 614.8262       482.9262 501.9065       110.6687 120.9588 47.17614 127.4555 15.09813 -6.496674      49.53324 
1 1 1 -19 16 33 o 286.9881 8.483695 2451.905       142.6338 1357.078       530.0026 2537.389       148.0975 171.5071 49.77748 291.8597 8.661717 -120.3526      50.52547 
1 1 1 -19 16 34 o 235.1119 9.002424 1651.634       123.9029 1075.156       469.8959 1694.710       128.4487 151.8113 47.50854 238.0557 9.217690 -86.24446      48.39450 
1 1 1 -19 16 35 o 56.56105 22.01894 78.90985       105.0477 371.2306       431.1957 60.46582       108.3110 99.46195 42.29230 54.48580 21.98489 44.97615       47.66523 
1 1 1 -19 16 36 o 142.9770 13.41327 632.5543       111.1604 423.3704       423.5060 648.0321       115.1995 99.94283 42.17818 144.5362 13.75577 -44.59341      44.36463 
1 1 1 -19 16 37 o 58.33102 21.84294 98.05492       100.8029 -386.2058      400.0098 130.8930       104.1646 64.82992 31.69540 63.90752 22.44437 0.9223938      38.83746 
1 1 1 -19 16 38 o 44.76346 19.78481 -7.259082      102.1352 -262.5518      409.8810 9.641977       105.4619 68.15530 33.03913 47.17379 20.49446 20.98151       38.87939 
1 1 1 -19 16 39 o 44.91735 19.96645 -9.913789      105.4936 -67.44022      412.3172 -5.884212      109.1258 73.15262 34.84669 46.00055 20.38523 27.15207       40.37140 
1 1 1 -19 16 40 o 44.15803 20.04820 -31.09624      112.8147 -294.8575      429.6810 -11.56770      116.9164 66.64066 32.63734 46.63684 20.85593 20.00381       38.73198 
1 1 1 -19 16 41 o 102.5384 20.65877 364.5099       119.9355 282.2167       407.8513 372.2998       125.4838 84.49873 38.26611 103.0325 21.46417 -18.53381      43.87489 
1 1 1 -19 16 42 o 41.63605 19.57932 -83.81523      122.4361 -47.01960      411.3730 -87.39147      128.2480 70.85165 34.03283 42.47662 19.99451 28.37503       39.47169 
1 1 1 -19 16 43 o 93.26729 24.34212 326.6927       134.5437 664.5551       396.7260 282.7843       143.0193 103.5252 41.96629 85.18327 26.13630 18.34190       49.43961 
1 1 1 -19 17 1  f 201.6749 12.46089 1205.499       146.6645 1100.998       168.2944 1535.459       299.0479 192.2202 15.04851 225.0831 22.97603 -32.86292      27.46553 
1 1 1 -19 17 2  o 265.5813 11.39640 2084.223       177.0940 1952.215       209.2411 2417.573       332.5045 256.5213 13.96089 283.8743 20.10199 -27.35303      24.47440 
1 1 1 -19 17 3  o 398.6855 24.85926 4809.129       578.3661 0.000000       0.000000 4809.129       578.3661 ?        ?        398.6855 24.85926 0.000000       24.85926 
1 1 1 -19 17 4  o 559.7139 24.22165 9450.576       793.2154 0.000000       0.000000 9450.576       793.2154 ?        ?        559.7139 24.22165 0.000000       24.22165 
1 1 1 -19 17 5  o 282.2757 9.951827 2350.134       164.4928 2235.974       222.1433 2488.713       244.7525 274.5776 13.83949 289.5715 14.45761 -14.99387      20.01385 
1 1 1 -19 17 6  o 197.7552 12.20074 1159.073       140.8137 1075.787       149.1224 1844.595       427.8278 190.2681 13.45038 243.8673 30.58418 -53.59917      33.41115 
1 1 1 -19 17 7  o 265.5651 10.10721 2081.059       157.1301 2349.437       219.0593 1796.637       225.5121 281.5675 13.30328 245.5978 15.73935 35.96967       20.60835 
1 1 1 -19 17 8  o 372.8578 10.12378 4099.862       221.1742 4000.420       324.0997 4186.538       302.5829 367.0386 15.08841 375.8890 13.74885 -8.850464      20.41301 
1 1 1 -19 17 9  o 319.2173 9.804807 3005.021       183.3415 3026.383       262.4164 2984.651       256.2613 319.4094 14.04286 317.2563 13.80585 2.153137       19.69272 
1 1 1 -19 17 10 o 163.8204 11.40224 795.7950       108.8654 780.6554       136.5129 822.2438       180.4335 161.6823 14.55217 164.9530 18.99775 -3.270630      23.93073 
1 1 1 -19 17 11 o 232.8885 9.781077 1600.825       133.2960 1694.264       178.8658 1484.114       199.9017 239.0569 12.80451 223.1445 15.36881 15.91237       20.00389 
1 1 1 -19 17 12 o 275.0677 9.743514 2232.062       156.9348 2301.672       215.2112 2153.011       229.3406 278.6379 13.20724 269.1454 14.58373 9.492493       19.67528 
1 1 1 -19 17 13 o 122.4197 13.98119 449.3641       98.58199 613.2854       119.0399 91.54292       175.8766 143.1796 14.37030 71.38083 28.27777 71.79881       31.71968 
1 1 1 -19 17 14 o 220.1482 10.78461 1432.862       138.8182 1458.647       181.1016 1396.131       216.1538 221.5098 14.01233 215.9424 17.20997 5.567398       22.19298 
1 1 1 -19 17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 17 16 o 343.5393 11.57925 3487.990       232.9627 3534.049       301.8069 3420.093       366.4363 344.9084 14.95576 338.1174 18.55015 6.790924       23.82820 
1 1 1 -19 17 17 o 236.4987 12.13134 1656.719       167.7005 1688.467       206.5861 1595.371       287.1700 238.1679 14.86407 229.5915 21.58018 8.576355       26.20391 
1 1 1 -19 17 18 o 429.8132 10.66751 5449.729       268.9017 5067.938       401.6057 5759.989       362.0342 412.4080 16.63852 440.7079 14.02496 -28.29993      21.76097 
1 1 1 -19 17 19 o 426.4201 9.752317 5360.115       243.8912 5353.598       347.7023 5366.427       342.1921 424.7695 13.97640 425.3639 13.73500 -0.5943909     19.59566 
1 1 1 -19 17 20 o 308.8705 9.508175 2815.116       172.0310 2834.945       241.4310 2794.666       245.1896 309.0229 13.35297 306.7274 13.66440 2.295563       19.10544 
1 1 1 -19 17 21 o 78.49342 22.38822 191.2212       108.1007 229.9598       137.5012 128.5289       174.9210 86.01461 25.46185 74.99929 28.61759 11.01532       38.30499 
1 1 1 -19 17 22 o 192.3374 11.30293 1097.906       126.9365 1305.756       170.7288 840.9858       189.8150 209.1776 13.99741 166.0421 19.88740 43.13551       24.31946 
1 1 1 -19 17 23 o 285.1940 8.469716 2400.018       141.5071 2296.569       571.8090 2406.767       146.0500 264.0647 38.01643 285.5393 8.731641 -21.47458      39.00629 
1 1 1 -19 17 24 o 191.7421 10.89006 1091.790       121.9576 1964.513       565.0120 1049.142       124.9020 240.5225 41.55690 187.8362 11.39163 52.68625       43.08996 
1 1 1 -19 17 25 o 122.5170 15.36995 455.6344       108.0142 753.9379       539.0812 443.1574       110.2500 145.2696 51.05604 120.6405 15.97464 24.62910       53.49681 
1 1 1 -19 17 26 o 166.2380 12.44843 826.1988       120.4842 1083.589       542.5463 812.8469       123.5696 169.8394 50.65233 164.7683 12.89009 5.071091       52.26675 
1 1 1 -19 17 27 o 95.20252 20.54664 286.6375       111.3517 -106.8598      586.6863 301.3423       113.4132 99.24923 45.31469 97.69008 20.45234 1.559151       49.71639 
1 1 1 -19 17 28 o 144.1541 14.27489 628.8132       119.1011 1110.177       581.9796 607.7720       121.6763 165.9657 52.99228 141.5098 14.88375 24.45593       55.04278 
1 1 1 -19 17 29 o 65.00879 23.29264 117.9997       112.6794 184.2544       540.4791 114.9892       115.2110 105.1286 46.02052 64.81389 23.50955 40.31470       51.67772 
1 1 1 -19 17 30 o 219.1743 9.663890 1431.047       123.9148 285.6659       529.4272 1497.429       127.4550 106.7826 46.15612 224.1901 9.716780 -117.4075      47.16782 
1 1 1 -19 17 31 o 54.83618 21.25699 68.81030       97.58234 -447.2191      481.5851 90.90451       99.64947 74.64694 36.09630 58.54333 21.75805 16.10361       42.14683 
1 1 1 -19 17 32 o 213.0647 9.593669 1357.354       119.5725 1128.385       489.9278 1371.857       123.3011 158.2280 48.34108 214.0924 9.846454 -55.86432      49.33369 
1 1 1 -19 17 33 o 167.1216 11.27534 844.3912       109.8660 927.3782       494.7694 840.0870       112.6791 138.5345 48.89377 166.5440 11.60891 -28.00945      50.25303 
1 1 1 -19 17 34 o 115.5119 16.07547 420.5241       105.9565 -171.5413      454.2875 454.5850       108.9617 77.71754 36.89411 120.2878 15.82928 -42.57027      40.14650 
1 1 1 -19 17 35 o 76.67266 22.31781 199.7840       106.4016 110.5189       430.3396 205.5963       109.8111 85.30767 38.89580 77.63844 22.69347 7.669228       45.03195 
1 1 1 -19 17 36 o 168.4874 11.84951 868.3177       116.3429 474.5255       435.4409 898.5906       120.7321 101.9087 42.87461 171.2634 12.09794 -69.35474      44.54877 
1 1 1 -19 17 37 o 65.24613 22.45782 139.9964       104.0262 256.0318       471.1950 134.0511       106.6579 89.78943 40.84649 64.37234 22.70278 25.41709       46.73170 
1 1 1 -19 17 38 o 56.86863 22.12091 87.98454       105.9559 36.71070       451.1104 90.97836       109.0054 79.18161 37.34207 57.61921 22.43017 21.56240       43.56079 
1 1 1 -19 17 39 o 146.8539 14.54671 682.9227       123.6409 974.2363       469.3152 661.1959       128.1687 125.3452 47.09053 143.8254 15.43608 -18.48022      49.55593 
1 1 1 -19 17 40 o 48.00111 21.23164 2.224235       117.8312 87.97784       451.7021 -4.037222      122.0573 78.50335 37.12590 48.12681 21.42986 30.37654       42.86691 
1 1 1 -19 17 41 o 63.24503 24.05384 130.3716       123.3249 -306.1148      413.2407 173.0470       129.2131 64.27361 31.58532 69.51826 24.93892 -5.244652      40.24403 
1 1 1 -19 17 42 o 95.60989 23.73015 338.1520       132.4351 -262.1308      402.9643 410.8412       140.2244 64.13708 31.45153 106.2814 23.15309 -42.14434      39.05463 
1 1 1 -19 17 43 o 110.5134 22.12895 438.9849       138.4193 258.8441       423.5373 460.5266       146.4619 80.64703 37.42235 112.4439 22.98613 -31.79684      43.91804 
1 1 1 -19 18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 18 2  f 121.1320 17.24837 444.6409       119.0761 515.3936       132.0503 136.7363       275.4712 130.4764 17.71374 87.94554 35.20810 42.53082       39.41303 
1 1 1 -19 18 3  o 300.5124 11.57342 2668.877       203.5925 2932.681       259.1974 2243.956       328.9608 314.4582 14.09035 273.1318 20.69016 41.32645       25.03239 
1 1 1 -19 18 4  o 450.4019 11.18444 5984.331       295.4370 5860.099       440.6860 6085.746       398.1642 443.6758 16.96736 452.8824 15.01159 -9.206665      22.65478 
1 1 1 -19 18 5  o 111.0320 17.82990 375.8324       112.1749 444.8372       127.2847 135.8510       237.3698 120.8396 18.55237 83.57159 32.93119 37.26806       37.79754 
1 1 1 -19 18 6  o 382.9173 13.05762 4340.302       292.8084 4150.577       339.8905 4886.362       576.6288 373.7137 15.54170 401.6355 24.59812 -27.92181      29.09659 
1 1 1 -19 18 7  o 238.1666 10.42977 1675.378       145.3289 1831.180       191.0643 1461.494       223.8626 248.5005 13.15685 220.9546 17.41611 27.54590       21.82713 
1 1 1 -19 18 8  o 42.69228 18.59575 -14.53200      87.30000 -31.15511      100.5249 36.47082       176.0819 44.23047 19.58491 65.87157 27.45709 -21.64111      33.72625 
1 1 1 -19 18 9  f 180.4954 11.08770 964.7291       116.8038 1007.937       147.3659 891.7148       191.5671 184.0350 13.75301 171.7648 19.35324 12.27025       23.74222 
1 1 1 -19 18 10 o 129.9278 12.54244 503.4323       94.38620 487.6989       111.8727 542.2938       175.8226 127.3424 15.28472 132.3517 23.51280 -5.009232      28.04415 
1 1 1 -19 18 11 o 37.04842 17.16091 -73.41557      88.46998 -94.03403      105.0180 -23.01356      164.1949 39.76581 18.51415 58.45280 25.48104 -18.68699      31.49694 
1 1 1 -19 18 12 o 278.1497 9.989434 2282.929       162.6913 2458.113       230.5032 2109.025       229.6596 287.8638 13.69261 266.3385 14.76053 21.52524       20.13357 
1 1 1 -19 18 13 o 158.6557 12.10417 747.7446       111.7765 825.5214       136.1312 586.7992       195.8267 166.3866 14.08260 137.3139 25.24689 29.07269       28.90891 
1 1 1 -19 18 14 o 222.1982 10.57080 1459.097       137.3573 1506.174       177.4352 1388.695       216.9838 225.2192 13.49523 215.3428 17.32707 9.876358       21.96244 
1 1 1 -19 18 15 o 270.9941 11.39912 2171.282       180.7635 2115.416       224.8645 2273.329       303.9090 266.8207 14.42343 275.3496 18.93479 -8.528931      23.80255 
1 1 1 -19 18 16 o 392.3224 11.98192 4550.956       275.3662 4539.047       362.7924 4567.142       422.9451 390.5975 15.87024 390.8014 18.50602 -0.2038269     24.37903 
1 1 1 -19 18 17 o 308.2551 11.50315 2809.795       207.5942 2969.844       272.3915 2588.028       320.6388 316.0914 14.73422 293.7995 18.70578 22.29193       23.81183 
1 1 1 -19 18 18 o 344.9545 10.13695 3512.321       204.8559 3631.529       303.9608 3413.113       277.2924 349.4607 14.86490 339.0449 13.97533 10.41580       20.40282 
1 1 1 -19 18 19 o 229.4902 10.17290 1556.891       136.5774 1574.258       184.2225 1535.696       203.5144 230.0174 13.71858 226.7472 15.39522 3.270233       20.62067 
1 1 1 -19 18 20 o 201.9698 10.96685 1208.745       129.4156 1272.500       173.8107 1129.426       193.8705 206.4693 14.44505 193.7160 17.24466 12.75331       22.49528 
1 1 1 -19 18 21 o 363.9198 12.23864 3927.583       260.8380 3699.465       637.7350 3973.411       285.8401 342.1248 32.16093 365.6509 13.35168 -23.52612      34.82231 
1 1 1 -19 18 22 o 134.3961 13.82067 542.6323       107.3839 681.4025       558.1724 537.2988       109.4280 142.3127 51.72827 133.6443 14.17737 8.668365       53.63592 
1 1 1 -19 18 23 o 287.3725 8.920174 2439.387       150.1560 2490.138       616.4459 2436.186       154.8192 272.9499 39.66940 287.1157 9.206170 -14.16583      40.72364 
1 1 1 -19 18 24 o 104.9068 17.67682 339.6080       104.8952 443.5268       547.7856 335.6525       106.8729 124.8501 49.76038 104.1473 18.15701 20.70288       52.96954 
1 1 1 -19 18 25 o 101.4563 20.00194 322.5873       114.7827 963.9509       555.0212 293.9309       117.3190 160.1261 51.81001 96.41019 21.31591 63.71596       56.02361 
1 1 1 -19 18 26 o 36.42326 17.61858 -178.3262      114.9676 606.4719       565.8636 -212.1166      117.4165 133.4086 51.32862 35.25097 17.22090 98.15766       54.14044 
1 1 1 -19 18 27 o 231.9000 10.06555 1597.240       136.5694 1907.351       683.5408 1584.346       139.3796 219.8202 53.52758 230.8857 10.31931 -11.06546      54.51321 
1 1 1 -19 18 28 o 130.1693 19.10385 528.4119       141.5037 0.000000       0.000000 528.4119       141.5037 ?        ?        130.1693 19.10385 0.000000       19.10385 
1 1 1 -19 18 29 o 129.0225 15.25540 510.7402       113.2053 318.3831       518.4248 520.3716       116.0048 108.6758 46.29725 130.1567 15.50127 -21.48092      48.82340 
1 1 1 -19 18 30 o 218.3029 9.482121 1420.928       121.1096 1549.732       513.7357 1413.348       124.6220 196.2442 45.52065 217.6004 9.790350 -21.35629      46.56158 
1 1 1 -19 18 31 o 115.8174 15.35987 416.7457       101.7610 -16.20777      481.1053 437.0226       104.1166 87.61561 40.38269 118.6587 15.31838 -31.04305      43.19044 
1 1 1 -19 18 32 o 285.2582 8.601487 2424.397       143.7361 2780.371       548.0839 2398.106       148.9494 275.1736 34.73409 283.5108 8.969442 -8.337189      35.87350 
1 1 1 -19 18 33 o 234.5251 9.266734 1645.725       127.2069 1307.948       498.8380 1669.218       131.5563 167.5899 48.18699 236.0644 9.521877 -68.47446      49.11876 
1 1 1 -19 18 34 f 118.9079 15.81479 445.7562       107.5551 -140.3114      448.5917 481.5015       110.7865 77.51434 36.75819 123.7520 15.61125 -46.23765      39.93589 
1 1 1 -19 18 35 o 135.0210 13.64885 566.0096       106.5982 942.1334       455.6708 544.2339       109.6405 134.4126 46.96253 131.9689 14.39938 2.443665       49.12048 
1 1 1 -19 18 36 o 60.31760 22.47516 107.7093       106.4573 437.2538       456.9409 88.79539       109.4697 98.88510 42.81129 57.83796 22.48843 41.04714       48.35842 
1 1 1 -19 18 37 o 39.22788 18.35616 -78.09527      105.3685 233.4554       439.3541 -97.10812      108.5361 87.16951 39.57117 38.56469 18.22623 48.60482       43.56688 
1 1 1 -19 18 38 o 74.24257 23.00537 195.0530       110.4793 -212.6363      427.8940 224.1723       114.3568 69.58683 33.73880 79.24226 23.15734 -9.655426      40.92150 
1 1 1 -19 18 39 o 53.06408 22.09081 55.08210       113.7726 455.4991       428.1427 24.65817       118.0158 94.03999 41.06757 50.31950 21.77115 43.72050       46.48149 
1 1 1 -19 18 40 o 36.13881 17.53710 -158.2038      116.2740 -351.1539      414.1599 -141.6945      121.1462 63.69410 31.36322 38.02974 18.31859 25.66436       36.32110 
1 1 1 -19 18 41 o 60.46439 24.55482 102.7862       136.1033 65.61120       421.2762 107.1187       143.8156 74.92062 35.55534 61.57482 25.15263 13.34580       43.55269 
1 1 1 -19 18 42 o 52.21816 23.10556 18.68749       139.6756 -965.8012      437.0846 130.6576       147.4046 53.33241 27.05873 64.24673 25.74320 -10.91433      37.34819 
1 1 1 -19 19 1  o 155.9423 13.56882 724.6912       122.8614 676.1829       135.1666 955.3093       294.7190 150.2034 15.56956 174.6492 29.84458 -24.44583      33.66170 
1 1 1 -19 19 2  o 326.5298 19.91448 3197.557       379.5528 0.000000       0.000000 3197.557       379.5528 ?        ?        326.5298 19.91448 0.000000       19.91448 
1 1 1 -19 19 3  o 292.6190 30.05527 2644.427       508.4666 0.000000       0.000000 2644.427       508.4666 ?        ?        292.6190 30.05527 0.000000       30.05527 
1 1 1 -19 19 4  o 109.2414 18.49222 365.0814       114.2524 324.4722       125.3505 564.4312       277.7291 102.1992 21.59109 132.4208 35.17149 -30.22166      41.26995 
1 1 1 -19 19 5  o 363.2555 10.56661 3893.854       224.8726 3824.861       317.2152 3963.551       318.8266 358.8460 15.10664 365.3647 14.91046 -6.518646      21.22574 
1 1 1 -19 19 6  o 105.2810 32.61323 343.8103       222.0487 0.000000       0.000000 343.8103       222.0487 ?        ?        105.2810 32.61323 0.000000       32.61323 
1 1 1 -19 19 7  o 112.5626 16.68708 384.4437       106.8293 426.3735       124.2162 265.3239       209.3671 118.2407 18.52023 94.95152 31.87224 23.28918       36.86242 
1 1 1 -19 19 8  o 322.0293 10.04956 3059.089       189.5662 3121.497       267.5352 2996.164       268.6423 324.3771 14.09673 317.6911 14.45634 6.686035       20.19167 
1 1 1 -19 19 9  o 347.0603 9.987749 3552.455       203.0819 3716.594       298.2790 3410.621       277.2725 353.9096 14.40084 339.1230 13.97108 14.78665       20.06428 
1 1 1 -19 19 10 o 244.4246 10.29137 1764.182       147.1959 1785.197       195.5383 1736.701       223.6066 245.2355 13.64944 241.3520 15.88563 3.883530       20.94423 
1 1 1 -19 19 11 o 157.5377 12.66763 738.1637       116.0531 749.5770       144.0177 717.0278       195.9847 158.1624 15.73456 152.9554 22.52117 5.206985       27.47325 
1 1 1 -19 19 12 o 119.6389 15.22454 431.1304       104.4072 456.2307       122.2327 363.4032       200.7841 122.6316 17.49060 107.3590 30.47583 15.27260       35.13826 
1 1 1 -19 19 13 o 370.6715 10.38439 4053.810       225.5239 3963.401       327.8013 4135.061       310.7586 365.1930 15.33931 373.3777 14.21735 -8.184662      20.91477 
1 1 1 -19 19 14 o 421.1360 10.65180 5233.998       262.8736 4819.805       384.0373 5599.154       360.5886 402.3936 16.30694 434.5354 14.16829 -32.14182      21.60223 
1 1 1 -19 19 15 o 179.3542 13.32628 957.0816       139.1736 948.2928       162.9772 980.7504       267.4546 178.0120 15.77399 177.9675 26.42584 0.4441833E-01  30.77570 
1 1 1 -19 19 16 o 193.9774 12.71291 1117.641       143.8290 1255.961       173.9866 819.0981       255.6093 205.2894 14.54521 161.7237 27.96087 43.56567       31.51783 
1 1 1 -19 19 17 o 227.7731 11.90692 1537.656       158.5046 1623.001       197.4607 1383.030       265.7852 233.4391 14.49454 213.3877 21.53206 20.05142       25.95614 
1 1 1 -19 19 18 o 187.6799 11.89577 1045.784       130.2628 1029.500       159.1424 1078.843       226.7552 185.5958 14.74170 188.2853 20.88569 -2.689468      25.56423 
1 1 1 -19 19 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 19 20 o 159.8612 11.83964 760.6638       110.2145 463.4410       645.8912 769.5778       111.8550 132.9475 53.67159 160.7784 11.94793 -27.83089      54.98539 
1 1 1 -19 19 21 o 75.33985 23.00776 174.5065       110.9961 264.5842       608.6075 171.4074       112.8894 119.7313 50.54754 74.88623 23.26319 44.84509       55.64377 
1 1 1 -19 19 22 o 227.0955 9.901561 1527.008       131.5581 1878.448       585.5652 1508.326       135.0096 232.8918 44.49350 225.6262 10.22953 7.265518       45.65429 
1 1 1 -19 19 23 o 341.2913 8.493924 3436.620       170.0138 3012.015       614.7772 3471.782       176.9132 303.5109 35.18899 342.8441 8.805882 -39.33313      36.27408 
1 1 1 -19 19 24 o 56.47335 22.39751 57.81179       110.4534 372.8383       548.3224 44.48812       112.7650 120.0730 49.08852 55.14024 22.36605 64.93275       53.94370 
1 1 1 -19 19 25 o 227.7829 10.15367 1539.625       135.3012 1011.077       603.0131 1567.645       138.8413 161.1089 54.09070 229.8035 10.32815 -68.69455      55.06791 
1 1 1 -19 19 26 o 109.3256 19.06462 373.4009       117.7940 1153.422       669.1992 348.4601       119.6624 166.6723 56.97367 105.1821 20.13143 61.49020       60.42577 
1 1 1 -19 19 27 o 76.79895 23.96018 185.8606       119.6153 840.0574       662.2409 163.7981       121.6156 144.0553 55.50105 73.22733 24.28511 70.82796       60.58163 
1 1 1 -19 19 28 o 136.4668 14.87793 568.9735       117.1488 486.4412       549.0371 572.9103       119.9102 119.2583 48.97900 136.8253 15.19922 -17.56695      51.28313 
1 1 1 -19 19 29 o 70.39725 22.22443 157.3769       102.6104 295.1602       506.3047 151.4753       104.7849 105.0708 45.27488 69.42827 22.51552 35.64256       50.56445 
1 1 1 -19 19 30 o 68.15183 21.79783 147.8515       98.43885 655.4409       518.0517 128.8377       100.2656 122.9794 48.59079 64.82610 22.05546 58.15326       53.36205 
1 1 1 -19 19 31 o 56.92112 21.13007 87.42445       93.92831 144.5118       496.7506 85.30770       95.65384 93.86923 42.39711 56.79442 21.27565 37.07481       47.43594 
1 1 1 -19 19 32 o 228.7848 9.554920 1567.621       127.9227 1206.961       531.1379 1589.830       131.8026 156.1080 50.69667 230.2875 9.781222 -74.17952      51.63163 
1 1 1 -19 19 33 o 40.56053 18.70692 -62.32373      103.4833 409.1764       447.7795 -88.92680      106.3627 102.0640 43.23585 39.15292 18.36008 62.91110       46.97266 
1 1 1 -19 19 34 o 70.58994 22.63883 167.1103       106.1279 -73.46870      444.9920 181.6196       109.2813 78.50237 37.04192 73.17995 22.91242 5.322418       43.55552 
1 1 1 -19 19 35 o 74.28293 22.23303 189.1571       104.3857 218.0864       476.3566 187.6979       106.9861 89.58602 40.87571 73.95815 22.58882 15.62788       46.70201 
1 1 1 -19 19 36 o 165.9157 12.40394 848.2833       119.8238 193.8652       461.0800 895.6809       124.0872 86.63868 39.78660 170.4457 12.50033 -83.80698      41.70410 
1 1 1 -19 19 37 o 79.08700 23.68050 223.5065       118.4020 -258.2181      449.8693 259.3591       122.7289 70.10951 34.12995 85.03779 23.71754 -14.92828      41.56170 
1 1 1 -19 19 38 o 41.91708 19.41923 -60.87385      113.3554 -155.6458      437.5212 -54.05450      117.3628 71.13956 34.40150 43.23212 19.93294 27.90744       39.75909 
1 1 1 -19 19 39 o 43.02847 19.87165 -54.69040      117.3334 62.19693       435.6514 -63.83230      121.8354 76.97070 36.41873 43.19807 20.05401 33.77263       41.57508 
1 1 1 -19 19 40 o 42.32782 19.77420 -72.14436      121.4502 -196.7763      406.9421 -59.95797      127.2494 66.62751 32.44070 44.25584 20.52773 22.37167       38.38993 
1 1 1 -19 19 41 o 143.6203 16.68305 677.4860       137.9093 604.2782       418.1065 686.4230       146.0848 98.85970 41.82399 143.6235 17.71843 -44.76382      45.42234 
1 1 1 -19 19 42 o 49.01636 22.08856 -7.297407      133.9511 -151.0255      430.5888 8.102332       140.9446 67.74065 33.06790 51.27794 22.91750 16.46271       40.23304 
1 1 1 -19 20 1  o 300.0962 11.48743 2661.446       201.8047 2631.315       241.1855 2731.786       368.5050 297.8691 13.84410 301.3563 20.98135 -3.487213      25.13715 
1 1 1 -19 20 2  o 231.4641 11.72323 1585.455       158.6225 1483.811       179.2566 1952.284       340.5391 223.5171 13.74099 253.7906 23.13323 -30.27348      26.90653 
1 1 1 -19 20 3  o 230.7477 11.98366 1576.364       161.6169 1614.592       189.1974 1473.164       310.8584 233.1564 13.89930 219.7052 24.54406 13.45122       28.20640 
1 1 1 -19 20 4  o 560.1594 15.55337 9316.609       510.4651 8196.357       600.4774 12235.75       969.3179 523.4655 19.59410 635.0293 26.08238 -111.5638      32.62238 
1 1 1 -19 20 5  o 203.4220 46.52052 1385.151       542.9031 0.000000       0.000000 1385.151       542.9031 ?        ?        203.4220 46.52052 0.000000       46.52052 
1 1 1 -19 20 6  o 118.9101 19.00928 431.8790       128.1043 522.4955       146.2697 133.5131       265.4148 130.8837 19.66264 86.47174 34.57928 44.41200       39.77872 
1 1 1 -19 20 7  o 114.2654 17.30980 396.8357       112.3712 392.8379       131.0566 407.9340       218.3622 112.9286 20.54472 113.4326 31.63595 -0.5040436     37.72159 
1 1 1 -19 20 8  o 138.1586 14.26200 571.1249       113.9014 582.1807       135.3980 544.3607       210.6663 138.9388 16.96808 131.3914 28.18368 7.547470       32.89735 
1 1 1 -19 20 9  o 39.51612 18.10435 -64.77432      94.71612 -89.08306      108.2700 14.49038       195.5090 40.97945 18.98268 67.00194 28.48346 -26.02249      34.22937 
1 1 1 -19 20 10 o 216.0459 10.90041 1380.174       137.6683 1413.601       174.2447 1324.644       224.5828 218.1363 13.68914 210.0234 18.41928 8.112900       22.94913 
1 1 1 -19 20 11 o 228.5287 10.63417 1543.305       142.1354 1438.640       175.3262 1743.982       242.7698 220.0701 13.65145 241.5072 17.25379 -21.43701      22.00126 
1 1 1 -19 20 12 o 468.5400 11.37165 6479.480       312.4790 6218.023       466.8819 6691.632       420.5627 456.6640 17.46469 474.7343 15.12461 -18.07028      23.10345 
1 1 1 -19 20 13 o 177.7564 13.85773 941.2106       143.3259 986.7855       150.7237 510.8300       463.1749 181.9567 14.23745 130.8988 47.18435 51.05792       49.28558 
1 1 1 -19 20 14 o 176.3590 12.17580 923.4854       125.1618 988.0854       156.5825 809.1698       208.2953 181.9283 14.80331 162.5500 22.44814 19.37825       26.88972 
1 1 1 -19 20 15 o 229.3438 10.49660 1554.976       140.8099 1522.205       180.6831 1605.662       224.7108 226.2694 13.67964 231.6606 16.65053 -5.391159      21.54931 
1 1 1 -19 20 16 o 104.4841 18.48590 335.6414       109.1331 382.1086       124.0653 176.7108       229.4463 111.3433 19.72094 86.24226 32.80733 25.10106       38.27840 
1 1 1 -19 20 17 o 135.2904 24.61958 572.1287       188.1490 0.000000       0.000000 572.1287       188.1490 ?        ?        135.2904 24.61958 0.000000       24.61958 
1 1 1 -19 20 18 o 101.3960 17.82462 316.2058       102.1294 0.000000       0.000000 316.2058       102.1294 ?        ?        101.3960 17.82462 0.000000       17.82462 
1 1 1 -19 20 19 o 251.9780 9.371488 1875.980       138.2497 0.000000       0.000000 1875.980       138.2497 ?        ?        251.9780 9.371488 0.000000       9.371488 
1 1 1 -19 20 20 o 267.5512 9.580198 2116.438       150.0826 0.000000       0.000000 2116.438       150.0826 ?        ?        267.5512 9.580198 0.000000       9.580198 
1 1 1 -19 20 21 o 183.6537 11.38452 1003.103       122.0181 0.000000       0.000000 1003.103       122.0181 ?        ?        183.6537 11.38452 0.000000       11.38452 
1 1 1 -19 20 22 o 311.3756 8.952587 2864.860       163.3174 2397.889       661.1114 2895.209       168.5411 262.6810 44.50070 312.9574 9.192656 -50.27643      45.44026 
1 1 1 -19 20 23 o 79.39240 22.82753 198.4418       111.9486 231.0997       581.5931 197.1852       114.0820 114.4011 48.89510 79.21163 23.12420 35.18948       54.08752 
1 1 1 -19 20 24 o 104.2071 18.97598 338.7002       111.7005 851.1010       580.0016 318.9634       113.8314 150.0732 52.94039 100.7640 19.96827 49.30917       56.58106 
1 1 1 -19 20 25 o 172.3357 14.02174 894.6363       140.4953 0.000000       0.000000 894.6363       140.4953 ?        ?        172.3357 14.02174 0.000000       14.02174 
1 1 1 -19 20 26 o 207.2501 10.97132 1280.910       132.8783 1647.717       652.1267 1265.021       135.7258 200.4927 54.18272 205.8577 11.28520 -5.365005      55.34549 
1 1 1 -19 20 27 o 103.9365 19.54098 342.6284       114.7432 95.30663       523.3919 355.1152       117.6041 99.09647 44.23449 105.8070 19.67612 -6.710533      48.41322 
1 1 1 -19 20 28 o 166.5810 12.05199 836.3717       116.9467 470.8279       517.5896 856.0371       120.0513 115.2780 47.47221 168.4687 12.23394 -53.19073      49.02327 
1 1 1 -19 20 29 o 100.7642 18.47164 324.0304       105.1382 71.04866       483.0823 336.6093       107.7203 91.86663 41.62005 102.7059 18.56668 -10.83932      45.57357 
1 1 1 -19 20 30 o 260.6172 8.667381 2023.182       132.2930 1920.259       564.7196 2029.158       136.0797 213.3549 46.45172 260.8889 8.906859 -47.53394      47.29793 
1 1 1 -19 20 31 o 86.13116 20.96581 246.2034       104.8947 483.9164       495.2528 235.0389       107.3297 109.0174 45.78634 83.89738 21.66383 25.12006       50.65285 
1 1 1 -19 20 32 o 175.5275 11.57529 934.7565       118.4941 1535.707       506.3547 899.9403       121.8783 184.4223 46.75826 171.9142 12.16687 12.50810       48.31529 
1 1 1 -19 20 33 o 107.9898 17.72201 376.1332       108.3497 402.7432       453.9963 374.5260       111.5738 100.1386 43.00740 107.4041 18.37288 -7.265488      46.76751 
1 1 1 -19 20 34 o 82.94627 21.85799 236.1780       107.8052 313.9608       458.3431 231.6229       110.9170 93.70822 41.63858 81.90379 22.43410 11.80443       47.29757 
1 1 1 -19 20 35 o 48.95388 20.86833 24.62165       105.4485 166.3896       485.3702 17.59884       108.0287 86.83807 40.21384 48.62220 20.93186 38.21588       45.33537 
1 1 1 -19 20 36 o 202.0305 11.11973 1246.663       131.2452 1125.214       469.2050 1256.973       136.7020 140.6940 47.71337 202.5448 11.55605 -61.85075      49.09285 
1 1 1 -19 20 37 o 50.24508 21.95137 14.67574       122.4358 116.5419       456.5256 6.781075       127.0916 81.14715 38.04776 50.23606 22.14246 30.91108       44.02182 
1 1 1 -19 20 38 o 49.75883 21.46215 25.55468       113.9919 -375.8511      462.8110 51.47880       117.6153 66.65572 32.88492 53.13926 22.31509 13.51646       39.74143 
1 1 1 -19 20 39 o 67.82951 24.08568 161.6385       120.2169 -237.2883      452.7355 191.8999       124.6932 68.53902 33.55332 72.54669 24.59695 -4.007668      41.60331 
1 1 1 -19 20 40 o 42.45797 19.97362 -85.86186      127.6362 -768.8312      441.0414 -23.43422      133.3421 56.73097 28.59308 47.93064 21.77477 8.800323       35.94030 
1 1 1 -19 20 41 o 276.8985 10.26914 2347.120       166.4762 1956.092       471.6145 2402.779       177.9303 197.5453 42.00141 279.4522 10.87732 -81.90686      43.38704 
1 1 1 -19 21 1  o 210.3778 12.46857 1311.957       153.1492 1407.818       172.6777 958.5995       331.5307 217.7387 13.59004 173.5569 33.78686 44.18184       36.41759 
1 1 1 -19 21 2  o 178.6723 13.18628 948.9293       137.2016 962.9058       150.2632 878.8588       336.4506 179.7646 14.37235 165.3151 35.74493 14.44952       38.52615 
1 1 1 -19 21 3  o 122.6603 18.43776 457.8389       128.5366 439.5346       140.7437 549.8385       315.5336 119.5626 20.82818 130.7903 38.53320 -11.22775      43.80207 
1 1 1 -19 21 4  o 77.96445 23.90741 183.9577       119.6882 239.6821       130.4489 -112.6154      300.9423 87.82375 24.43637 74.01599 33.25204 13.80775       41.26541 
1 1 1 -19 21 5  o 242.6157 13.82943 1747.558       195.9617 1835.279       208.4349 1079.732       575.1087 248.5311 14.36126 177.7905 51.92476 70.74068       53.87417 
1 1 1 -19 21 6  o 56.96727 22.76538 50.99601       114.9600 148.0070       128.6183 -334.3735      256.3487 72.79371 24.97469 56.72444 27.14555 16.06927       36.88652 
1 1 1 -19 21 7  o 223.7315 43.38699 1643.691       548.7451 0.000000       0.000000 1643.691       548.7451 ?        ?        223.7315 43.38699 0.000000       43.38699 
1 1 1 -19 21 8  o 284.4233 10.69567 2388.828       178.0941 2216.457       228.6712 2654.573       283.9303 273.1924 14.32228 298.5139 16.27959 -25.32150      21.68301 
1 1 1 -19 21 9  o 112.7078 16.90427 385.7664       108.2960 329.1008       125.0855 555.3718       216.4048 102.9550 21.41471 132.5852 28.66682 -29.63020      35.78234 
1 1 1 -19 21 10 o 502.3530 11.67382 7451.138       343.9321 7236.986       526.0844 7610.985       454.5138 492.3327 18.25150 506.2372 15.32650 -13.90448      23.83315 
1 1 1 -19 21 11 o 50.84687 20.80385 29.36717       98.58051 71.85361       115.3657 -85.60696      189.7806 59.80033 23.13153 58.30266 26.28090 1.497669       35.01076 
1 1 1 -19 21 12 o 245.4809 10.36245 1780.234       148.8514 1920.805       196.6029 1591.425       227.8524 254.4272 13.22112 230.6152 16.96546 23.81194       21.50872 
1 1 1 -19 21 13 o 547.9897 12.26452 8878.410       394.1609 9488.623       656.9374 8535.170       492.7002 562.4037 19.94866 535.6743 15.70002 26.72943       25.38582 
1 1 1 -19 21 14 f 185.0787 13.72468 1020.728       147.9134 1051.034       157.6109 796.9437       428.2920 187.6649 14.43107 153.8546 44.77402 33.81029       47.04220 
1 1 1 -19 21 15 o 264.4341 9.473721 2064.193       146.6852 0.000000       0.000000 2064.193       146.6852 ?        ?        264.4341 9.473721 0.000000       9.473721 
1 1 1 -19 21 16 o 369.3342 9.775800 4026.963       211.5633 0.000000       0.000000 4026.963       211.5633 ?        ?        369.3342 9.775800 0.000000       9.775800 
1 1 1 -19 21 17 o 224.6855 9.938284 1493.081       130.6355 0.000000       0.000000 1493.081       130.6355 ?        ?        224.6855 9.938284 0.000000       9.938284 
1 1 1 -19 21 18 o 307.5021 8.799217 2790.696       158.5243 0.000000       0.000000 2790.696       158.5243 ?        ?        307.5021 8.799217 0.000000       8.799217 
1 1 1 -19 21 19 o 104.2408 18.26276 335.6459       107.5819 0.000000       0.000000 335.6459       107.5819 ?        ?        104.2408 18.26276 0.000000       18.26276 
1 1 1 -19 21 20 o 152.1441 13.55991 694.1732       119.7270 0.000000       0.000000 694.1732       119.7270 ?        ?        152.1441 13.55991 0.000000       13.55991 
1 1 1 -19 21 21 o 238.9792 10.02014 1692.070       140.1263 0.000000       0.000000 1692.070       140.1263 ?        ?        238.9792 10.02014 0.000000       10.02014 
1 1 1 -19 21 22 o 40.17756 18.70087 -91.37415      107.0346 0.000000       0.000000 -91.37415      107.0346 ?        ?        40.17756 18.70087 0.000000       18.70087 
1 1 1 -19 21 23 o 98.82481 20.10855 307.3926       112.5760 -103.2547      604.3782 322.1523       114.5813 100.9017 46.03997 101.2545 20.00494 -0.3527527     50.19837 
1 1 1 -19 21 24 o 193.4525 11.73295 1117.487       132.4907 1272.907       609.7602 1109.785       135.7335 177.9581 53.84102 192.6812 12.07216 -14.72308      55.17783 
1 1 1 -19 21 25 f 142.5904 15.01888 618.2943       123.7128 851.7263       598.2992 607.8680       126.4454 145.5548 53.45314 141.2001 15.52508 4.354675       55.66207 
1 1 1 -19 21 26 o 117.2733 17.17329 427.1938       114.6147 471.4736       574.7936 425.3604       116.9635 119.5202 49.69659 116.8527 17.61398 2.667458       52.72573 
1 1 1 -19 21 27 o 63.15184 22.35412 115.1266       103.4827 334.7545       494.6759 105.0754       105.8241 107.2541 45.43940 61.76621 22.51267 45.48788       50.71054 
1 1 1 -19 21 28 o 87.52709 20.92283 250.6758       105.9412 -387.0849      511.7014 279.2373       108.2874 78.44874 37.75254 92.62663 20.47870 -14.17789      42.94917 
1 1 1 -19 21 29 o 139.3809 13.47351 594.5334       108.7658 116.8308       509.3488 617.3568       111.3338 93.89073 42.61620 142.0283 13.52925 -48.13754      44.71220 
1 1 1 -19 21 30 o 122.4258 14.47254 464.2194       101.9059 412.9782       528.8361 466.1955       103.8523 106.0482 45.98389 122.5691 14.74287 -16.52085      48.28944 
1 1 1 -19 21 31 o 113.8605 16.80177 411.0172       108.8293 1415.128       459.0308 351.2154       112.0232 182.1389 43.56042 104.0021 19.06853 78.13683       47.55122 
1 1 1 -19 21 32 o 137.9223 14.25597 590.8781       113.6538 933.1006       481.4404 570.6807       116.9596 134.4946 48.15183 135.1189 15.01253 -0.6243591     50.43783 
1 1 1 -19 21 33 o 132.1938 14.48172 546.6848       110.4393 1003.865       454.3798 517.9808       113.8535 139.2631 46.95469 128.0889 15.46891 11.17427       49.43714 
1 1 1 -19 21 34 o 83.45844 22.58623 242.2213       113.2224 122.8688       470.4085 249.5607       116.6517 85.12804 39.47994 84.53946 22.94560 0.5885773      45.66362 
1 1 1 -19 21 35 o 104.0401 19.23163 360.8678       113.0243 383.1258       493.0146 359.6331       116.1169 94.53583 42.50811 103.4579 19.85923 -8.922050      46.91832 
1 1 1 -19 21 36 o 68.88123 23.68980 163.5702       115.7450 -10.71752      451.0993 175.8532       119.7542 76.94133 36.59401 70.90547 24.10410 6.035858       43.81928 
1 1 1 -19 21 37 o 139.9985 15.43025 628.1803       124.5925 85.60405       471.8613 668.8436       129.1770 79.58859 37.72944 144.4496 15.48983 -64.86098      40.78536 
1 1 1 -19 21 38 o 43.90739 19.99723 -33.92502      113.3476 200.7460       480.8575 -47.73136      116.6342 82.78738 38.89019 43.40337 19.96075 39.38401       43.71360 
1 1 1 -19 21 39 o 199.8717 11.97046 1240.263       139.6748 1315.007       493.5005 1233.754       145.6293 140.0102 48.87613 198.7977 12.55483 -58.78748      50.46286 
1 1 1 -19 21 40 o 76.10700 25.19197 219.0704       130.8853 242.6160       449.5104 216.8893       136.8134 81.51071 38.06715 75.55889 25.76244 5.951820       45.96533 
1 1 1 -19 22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 22 2  o 347.6394 11.92190 3572.256       242.7068 3181.175       283.5084 4645.234       469.5995 327.3201 14.80706 393.5782 20.41422 -66.25815      25.21883 
1 1 1 -19 22 3  o 619.2261 28.48268 11707.69       1031.611 0.000000       0.000000 11707.69       1031.611 ?        ?        619.2261 28.48268 0.000000       28.48268 
1 1 1 -19 22 4  o 395.8657 12.48262 4634.785       289.4417 4543.523       362.3495 4795.674       481.1133 390.9316 15.83712 399.7882 20.58886 -8.856598      25.97529 
1 1 1 -19 22 5  o 389.3855 28.91832 4651.300       655.6802 0.000000       0.000000 4651.300       655.6802 ?        ?        389.3855 28.91832 0.000000       28.91832 
1 1 1 -19 22 6  o 223.3335 12.00460 1477.260       156.6582 1446.497       179.4847 1575.654       320.9950 220.6066 13.94396 227.2478 24.47031 -6.641190      28.16434 
1 1 1 -19 22 7  o 411.9256 11.40157 5012.081       275.1795 5316.214       404.2108 4749.367       375.6790 422.6504 16.33784 399.5466 16.06517 23.10376       22.91320 
1 1 1 -19 22 8  o 271.7253 10.84353 2181.513       172.4560 2332.754       226.1106 1971.175       266.6524 280.3605 13.79396 256.6070 17.82937 23.75348       22.54240 
1 1 1 -19 22 9  o 276.4137 34.48032 2408.373       546.8394 0.000000       0.000000 2408.373       546.8394 ?        ?        276.4137 34.48032 0.000000       34.48032 
1 1 1 -19 22 10 o 283.2716 10.48550 2370.071       173.8972 2572.816       238.7903 2141.134       253.7462 294.3755 13.87035 267.8618 16.22858 26.51376       21.34838 
1 1 1 -19 22 11 o 172.2716 11.66385 880.7174       117.1488 964.8263       142.6270 706.3160       205.3789 179.9725 13.61375 151.1444 23.96821 28.82806       27.56464 
1 1 1 -19 22 12 o 528.1055 15.29340 8295.507       473.1703 0.000000       0.000000 8295.507       473.1703 ?        ?        528.1055 15.29340 0.000000       15.29340 
1 1 1 -19 22 13 o 150.3806 12.96543 674.6429       113.2327 0.000000       0.000000 674.6429       113.2327 ?        ?        150.3806 12.96543 0.000000       12.96543 
1 1 1 -19 22 14 o 253.4388 9.237389 1896.046       137.0711 0.000000       0.000000 1896.046       137.0711 ?        ?        253.4388 9.237389 0.000000       9.237389 
1 1 1 -19 22 15 f 70.14396 22.67524 145.9245       106.3275 0.000000       0.000000 145.9245       106.3275 ?        ?        70.14396 22.67524 0.000000       22.67524 
1 1 1 -19 22 16 o 310.8732 8.865093 2851.996       161.4632 0.000000       0.000000 2851.996       161.4632 ?        ?        310.8732 8.865093 0.000000       8.865093 
1 1 1 -19 22 17 o 100.3833 20.28833 314.7485       115.3290 0.000000       0.000000 314.7485       115.3290 ?        ?        100.3833 20.28833 0.000000       20.28833 
1 1 1 -19 22 18 o 286.9453 9.912979 2436.069       166.5716 0.000000       0.000000 2436.069       166.5716 ?        ?        286.9453 9.912979 0.000000       9.912979 
1 1 1 -19 22 19 o 163.7410 11.87770 799.4547       113.2863 0.000000       0.000000 799.4547       113.2863 ?        ?        163.7410 11.87770 0.000000       11.87770 
1 1 1 -19 22 20 o 254.7272 9.321636 1919.609       139.0224 0.000000       0.000000 1919.609       139.0224 ?        ?        254.7272 9.321636 0.000000       9.321636 
1 1 1 -19 22 21 o 62.10750 23.59935 89.43741       118.6408 0.000000       0.000000 89.43741       118.6408 ?        ?        62.10750 23.59935 0.000000       23.59935 
1 1 1 -19 22 22 o 133.0025 17.80967 543.5236       135.4322 0.000000       0.000000 543.5236       135.4322 ?        ?        133.0025 17.80967 0.000000       17.80967 
1 1 1 -19 22 23 o 272.9674 9.940357 2211.208       158.8684 0.000000       0.000000 2211.208       158.8684 ?        ?        272.9674 9.940357 0.000000       9.940357 
1 1 1 -19 22 24 o 58.33589 22.89615 70.06612       114.3496 0.000000       0.000000 70.06612       114.3496 ?        ?        58.33589 22.89615 0.000000       22.89615 
1 1 1 -19 22 25 o 139.1436 13.95395 588.2831       112.3353 335.5007       592.2924 597.7154       114.4119 113.1823 48.87062 140.2123 14.10489 -27.03001      50.86536 
1 1 1 -19 22 26 o 34.97353 16.83190 -141.9702      101.7622 -160.5543      543.3712 -141.2947      103.5952 88.99976 41.65863 35.46866 17.04774 53.53109       45.01186 
1 1 1 -19 22 27 o 92.16111 19.65590 274.5984       102.9972 -60.86888      483.0519 290.5763       105.4215 86.82985 40.17770 94.89050 19.59265 -8.060654      44.70033 
1 1 1 -19 22 28 o 177.1398 11.05541 945.1606       114.2803 759.5406       500.4670 955.3718       117.3815 128.7706 48.57396 177.9915 11.30314 -49.22096      49.87174 
1 1 1 -19 22 29 o 89.54545 20.17518 263.5154       103.4034 -181.0693      510.0754 282.5691       105.5960 82.27811 39.06916 92.88179 19.97850 -10.60368      43.88097 
1 1 1 -19 22 30 o 164.7241 14.55947 838.5651       139.2077 928.4071       493.2617 830.7902       145.1063 136.9050 48.77010 163.5184 15.30904 -26.61334      51.11643 
1 1 1 -19 22 31 o 152.4509 13.34217 715.5508       118.0897 646.3585       455.6426 720.5331       122.2674 115.8771 45.63637 152.7352 13.79829 -36.85817      47.67673 
1 1 1 -19 22 32 o 129.2665 15.25042 526.0194       113.3931 -224.5070      486.1923 569.1926       116.6089 75.96890 36.61979 134.6539 15.02151 -58.68501      39.58099 
1 1 1 -19 22 33 o 251.4026 9.399450 1901.850       138.3430 1536.012       471.7410 1936.274       144.7054 181.2984 44.66316 253.4227 9.754393 -72.12433      45.71593 
1 1 1 -19 22 34 o 38.25608 18.11893 -101.5213      108.3451 292.5579       433.2585 -127.8090      111.9004 90.09000 40.22787 37.35325 17.89137 52.73676       44.02707 
1 1 1 -19 22 35 o 37.05172 17.89730 -151.6024      117.5982 -339.9572      473.5264 -139.2220      121.4016 69.43526 34.05877 38.53592 18.50453 30.89934       38.76103 
1 1 1 -19 22 36 o 191.4683 12.26187 1134.624       136.9669 143.0356       463.9181 1229.310       143.3573 81.63970 38.30288 199.2681 12.32716 -117.6283      40.23766 
1 1 1 -19 22 37 o 123.2920 17.59769 501.6958       123.6387 483.4974       484.5757 502.9630       127.8709 94.10329 42.24210 122.9188 18.29465 -28.81555      46.03356 
1 1 1 -19 22 38 o 109.6914 21.85920 425.2422       135.6842 799.4826       481.8873 393.0174       141.4053 107.8660 45.22458 103.6981 23.76151 4.167870       51.08691 
1 1 1 -19 22 39 o 119.6307 22.35242 510.4096       151.0607 242.7628       454.0510 543.7217       160.1858 81.70539 38.19113 122.8450 23.08115 -41.13963      44.62400 
1 1 1 -19 22 40 o 53.69086 23.31995 41.13793       136.4748 89.46077       461.0365 36.49690       142.8783 75.82258 36.31691 54.04461 23.65988 21.77797       43.34406 
1 1 1 -19 23 1  o 39.60378 18.32455 -81.31918      100.4659 -143.1578      106.7868 395.1284       296.4117 36.77493 17.57743 113.8014 37.91849 -77.02649      41.79447 
1 1 1 -19 23 2  o 172.5584 13.85755 887.1257       139.0623 901.4127       153.1362 819.9412       332.0784 173.6794 15.18678 159.1294 36.37781 14.55003       39.42060 
1 1 1 -19 23 3  o 245.4477 22.01218 1823.471       313.5027 0.000000       0.000000 1823.471       313.5027 ?        ?        245.4477 22.01218 0.000000       22.01218 
1 1 1 -19 23 4  o 179.1087 13.97358 955.7275       145.6219 1075.328       163.8422 505.9272       317.7384 189.8672 14.83142 125.8755 39.01586 63.99168       41.73977 
1 1 1 -19 23 5  o 428.7684 27.84438 5629.006       696.3951 0.000000       0.000000 5629.006       696.3951 ?        ?        428.7684 27.84438 0.000000       27.84438 
1 1 1 -19 23 6  o 42.26078 18.78350 -32.36641      93.33770 -1.766796      103.4258 -166.6659      216.6747 48.06616 20.58308 57.98714 26.85857 -9.920979      33.83853 
1 1 1 -19 23 7  o 186.7875 11.67890 1034.544       127.2980 1006.699       152.3992 1098.813       231.5332 183.7477 14.25336 190.2260 21.10849 -6.478333      25.47012 
1 1 1 -19 23 8  o 169.7485 12.25878 856.2819       121.2184 917.5438       146.7056 724.4581       215.2030 175.3199 14.39472 152.8312 24.86351 22.48866       28.72981 
1 1 1 -19 23 9  o 115.3161 30.44389 425.1707       208.8853 0.000000       0.000000 425.1707       208.8853 ?        ?        115.3161 30.44389 0.000000       30.44389 
1 1 1 -19 23 10 o 199.7600 9.690488 1179.322       113.1897 0.000000       0.000000 1179.322       113.1897 ?        ?        199.7600 9.690488 0.000000       9.690488 
1 1 1 -19 23 11 o 288.1147 10.58908 2454.013       178.6219 0.000000       0.000000 2454.013       178.6219 ?        ?        288.1147 10.58908 0.000000       10.58908 
1 1 1 -19 23 12 f 163.1690 11.83532 791.6260       112.4879 0.000000       0.000000 791.6260       112.4879 ?        ?        163.1690 11.83532 0.000000       11.83532 
1 1 1 -19 23 13 o 53.31375 22.29794 20.47340       116.7107 0.000000       0.000000 20.47340       116.7107 ?        ?        53.31375 22.29794 0.000000       22.29794 
1 1 1 -19 23 14 o 201.2845 12.09326 1204.484       142.1009 0.000000       0.000000 1204.484       142.1009 ?        ?        201.2845 12.09326 0.000000       12.09326 
1 1 1 -19 23 15 f 168.0429 12.31710 841.7291       120.5457 0.000000       0.000000 841.7291       120.5457 ?        ?        168.0429 12.31710 0.000000       12.31710 
1 1 1 -19 23 16 o 239.5258 12.43376 1706.999       174.0669 0.000000       0.000000 1706.999       174.0669 ?        ?        239.5258 12.43376 0.000000       12.43376 
1 1 1 -19 23 17 o 181.3361 11.90581 979.4173       125.9171 0.000000       0.000000 979.4173       125.9171 ?        ?        181.3361 11.90581 0.000000       11.90581 
1 1 1 -19 23 18 o 152.3280 13.48132 696.0607       119.1957 0.000000       0.000000 696.0607       119.1957 ?        ?        152.3280 13.48132 0.000000       13.48132 
1 1 1 -19 23 19 o 45.18400 20.14581 -36.58473      108.2333 0.000000       0.000000 -36.58473      108.2333 ?        ?        45.18400 20.14581 0.000000       20.14581 
1 1 1 -19 23 20 o 51.71984 22.01081 9.083614       116.9696 0.000000       0.000000 9.083614       116.9696 ?        ?        51.71984 22.01081 0.000000       22.01081 
1 1 1 -19 23 21 f 188.8302 12.56951 1066.869       138.4079 0.000000       0.000000 1066.869       138.4079 ?        ?        188.8302 12.56951 0.000000       12.56951 
1 1 1 -19 23 22 o 80.81467 23.06791 208.4634       114.7210 0.000000       0.000000 208.4634       114.7210 ?        ?        80.81467 23.06791 0.000000       23.06791 
1 1 1 -19 23 23 o 148.2890 13.79390 665.1628       118.5872 0.000000       0.000000 665.1628       118.5872 ?        ?        148.2890 13.79390 0.000000       13.79390 
1 1 1 -19 23 24 o 124.5588 15.44085 476.5636       110.3829 0.000000       0.000000 476.5636       110.3829 ?        ?        124.5588 15.44085 0.000000       15.44085 
1 1 1 -19 23 25 o 163.5489 12.04929 806.4240       114.7624 0.000000       0.000000 806.4240       114.7624 ?        ?        163.5489 12.04929 0.000000       12.04929 
1 1 1 -19 23 26 o 57.84901 22.23554 81.15946       106.1188 415.4147       512.3163 66.17535       108.4713 109.6537 46.33912 56.07230 22.20928 53.58141       51.38644 
1 1 1 -19 23 27 o 150.2045 12.96961 687.5427       113.1330 542.6697       525.0355 694.5966       115.8546 114.8574 47.60459 150.8651 13.22775 -36.00767      49.40820 
1 1 1 -19 23 28 o 54.16037 22.02550 53.38408       109.6881 -639.5570      511.4122 86.79785       112.3015 70.68575 34.81477 59.02722 22.82502 11.65853       41.62991 
1 1 1 -19 23 29 o 150.4792 13.25852 694.4283       115.8144 577.4564       514.9506 700.6601       118.8595 113.1782 47.04728 151.0046 13.56568 -37.82635      48.96400 
1 1 1 -19 23 30 f 204.1149 10.63594 1258.027       126.8820 1757.006       482.8083 1221.009       131.5044 205.1735 41.55032 200.7596 11.21354 4.413925       43.03687 
1 1 1 -19 23 31 o 133.0399 15.25976 556.6189       116.9113 295.9601       498.4495 571.7935       120.2662 94.61301 42.62507 134.7163 15.50444 -40.10333      45.35730 
1 1 1 -19 23 32 o 73.55157 23.27803 185.8593       112.5066 1078.360       472.1690 132.1370       115.8432 141.8877 47.86504 64.85574 23.56685 77.03201       53.35221 
1 1 1 -19 23 33 o 94.56608 21.73740 308.1744       118.0300 1226.040       480.3802 249.2037       121.7626 149.8906 48.17414 83.87099 23.70712 66.01957       53.69149 
1 1 1 -19 23 34 o 66.41672 24.01796 145.6973       120.1298 -49.91877      441.2577 161.3564       124.8454 75.75830 36.07695 68.94877 24.53861 6.809532       43.63129 
1 1 1 -19 23 35 o 94.56496 23.16679 319.7453       127.4533 22.22820       475.1235 342.8146       132.3024 78.40989 37.36662 97.85716 23.37457 -19.44727      44.07533 
1 1 1 -19 23 36 o 59.53274 23.85253 96.86343       126.5380 161.9487       469.7483 91.77119       131.3949 81.72686 38.40657 59.38262 24.12235 22.34424       45.35363 
1 1 1 -19 23 37 o 58.79059 24.07142 88.86256       132.0991 -99.76326      451.8439 106.4915       138.1343 71.96806 34.84015 61.36188 24.80336 10.60618       42.76731 
1 1 1 -19 23 38 o 36.33299 18.09871 -319.3393      153.5587 -16.46113      420.5663 -365.9286      164.9468 72.19465 34.60769 36.75372 18.37754 35.44093       39.18451 
1 1 1 -19 23 39 o 234.6491 14.23765 1751.583       195.0110 0.000000       0.000000 1751.583       195.0110 ?        ?        234.6491 14.23765 0.000000       14.23765 
1 1 1 -19 24 1  o 387.2484 15.44739 4462.069       350.1249 4462.069       350.1249 0.000000       0.000000 387.2484 15.44739 ?        ?        0.000000       15.44739 
1 1 1 -19 24 2  o 212.4201 26.34058 1392.198       321.1229 0.000000       0.000000 1392.198       321.1229 ?        ?        212.4201 26.34058 0.000000       26.34058 
1 1 1 -19 24 3  o 66.30592 22.51333 123.9380       104.4657 152.3783       113.1770 -39.76416      271.5302 71.97947 23.40406 74.00513 32.50099 -2.025665      40.05077 
1 1 1 -19 24 4  o 423.0108 11.18588 5287.954       277.2623 4829.087       380.4186 5807.897       404.9459 402.5379 16.14681 441.7175 15.65630 -39.17963      22.49087 
1 1 1 -19 24 5  o 164.9558 12.37626 809.3179       118.8583 749.7443       135.7694 1004.767       245.9190 158.2438 14.80107 180.8090 23.76597 -22.56517      27.99810 
1 1 1 -19 24 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 24 7  o 187.4863 9.586480 1039.064       105.0594 0.000000       0.000000 1039.064       105.0594 ?        ?        187.4863 9.586480 0.000000       9.586480 
1 1 1 -19 24 8  o 142.0039 12.19717 600.9386       100.5972 0.000000       0.000000 600.9386       100.5972 ?        ?        142.0039 12.19717 0.000000       12.19717 
1 1 1 -19 24 9  o 256.8356 9.380363 1947.525       141.0572 0.000000       0.000000 1947.525       141.0572 ?        ?        256.8356 9.380363 0.000000       9.380363 
1 1 1 -19 24 10 o 384.9510 9.042553 4368.476       204.1489 0.000000       0.000000 4368.476       204.1489 ?        ?        384.9510 9.042553 0.000000       9.042553 
1 1 1 -19 24 11 o 229.6901 9.498273 1559.141       127.6731 0.000000       0.000000 1559.141       127.6731 ?        ?        229.6901 9.498273 0.000000       9.498273 
1 1 1 -19 24 12 o 357.6205 8.977169 3774.212       188.1347 0.000000       0.000000 3774.212       188.1347 ?        ?        357.6205 8.977169 0.000000       8.977169 
1 1 1 -19 24 13 f 322.3098 26.85382 3228.378       503.0022 0.000000       0.000000 3228.378       503.0022 ?        ?        322.3098 26.85382 0.000000       26.85382 
1 1 1 -19 24 14 o 236.9341 9.660091 1660.765       133.9516 0.000000       0.000000 1660.765       133.9516 ?        ?        236.9341 9.660091 0.000000       9.660091 
1 1 1 -19 24 15 o 212.9013 10.80098 1345.018       134.4221 0.000000       0.000000 1345.018       134.4221 ?        ?        212.9013 10.80098 0.000000       10.80098 
1 1 1 -19 24 16 o 98.27045 20.82130 303.6692       116.2647 0.000000       0.000000 303.6692       116.2647 ?        ?        98.27045 20.82130 0.000000       20.82130 
1 1 1 -19 24 17 o 297.3483 9.253191 2614.520       161.1679 0.000000       0.000000 2614.520       161.1679 ?        ?        297.3483 9.253191 0.000000       9.253191 
1 1 1 -19 24 18 o 111.1836 18.81524 383.4297       118.3159 0.000000       0.000000 383.4297       118.3159 ?        ?        111.1836 18.81524 0.000000       18.81524 
1 1 1 -19 24 19 o 130.9250 16.68813 523.8528       125.2304 0.000000       0.000000 523.8528       125.2304 ?        ?        130.9250 16.68813 0.000000       16.68813 
1 1 1 -19 24 20 o 183.8757 12.95178 1013.682       138.7768 0.000000       0.000000 1013.682       138.7768 ?        ?        183.8757 12.95178 0.000000       12.95178 
1 1 1 -19 24 21 o 224.5853 10.70514 1501.733       140.5958 0.000000       0.000000 1501.733       140.5958 ?        ?        224.5853 10.70514 0.000000       10.70514 
1 1 1 -19 24 22 o 128.9102 16.50858 511.5380       121.9487 0.000000       0.000000 511.5380       121.9487 ?        ?        128.9102 16.50858 0.000000       16.50858 
1 1 1 -19 24 23 o 285.6527 9.313651 2425.388       155.8217 0.000000       0.000000 2425.388       155.8217 ?        ?        285.6527 9.313651 0.000000       9.313651 
1 1 1 -19 24 24 o 82.80712 22.67395 225.1699       113.3231 0.000000       0.000000 225.1699       113.3231 ?        ?        82.80712 22.67395 0.000000       22.67395 
1 1 1 -19 24 25 o 45.11114 19.93135 -17.91762      103.5648 0.000000       0.000000 -17.91762      103.5648 ?        ?        45.11114 19.93135 0.000000       19.93135 
1 1 1 -19 24 26 o 157.0366 12.57211 749.5876       114.8205 0.000000       0.000000 749.5876       114.8205 ?        ?        157.0366 12.57211 0.000000       12.57211 
1 1 1 -19 24 27 o 55.29506 22.28273 60.51058       111.1086 0.000000       0.000000 60.51058       111.1086 ?        ?        55.29506 22.28273 0.000000       22.28273 
1 1 1 -19 24 28 o 43.06081 19.66161 -52.33272      110.4708 -18.36919      531.4752 -53.86636      112.9375 87.73513 41.10965 43.46473 19.85893 44.27040       45.65501 
1 1 1 -19 24 29 o 122.6298 16.90861 477.9930       118.3726 256.4658       518.3172 490.1829       121.5859 95.68063 43.25268 124.0610 17.17061 -28.38039      46.53627 
1 1 1 -19 24 30 o 74.87828 26.15865 190.0545       141.3746 0.000000       0.000000 190.0545       141.3746 ?        ?        74.87828 26.15865 0.000000       26.15865 
1 1 1 -19 24 31 o 229.3212 10.24322 1589.878       137.4149 1177.564       511.6524 1621.931       142.6561 144.8936 49.80874 231.4229 10.53840 -86.52939      50.91138 
1 1 1 -19 24 32 f 95.70660 21.48018 314.2028       117.6005 666.5509       514.1218 294.7493       120.8033 108.8468 46.22768 91.96486 22.56911 16.88199       51.44281 
1 1 1 -19 24 33 o 60.75851 24.01751 101.1342       126.6201 -59.07596      493.0564 112.4460       131.0139 78.10415 37.44876 62.59058 24.52511 15.51357       44.76484 
1 1 1 -19 24 34 o 36.15458 17.68564 -198.2150      125.0462 -413.2395      487.6393 -183.0804      129.3721 68.14201 33.64389 37.74113 18.35684 30.40088       38.32604 
1 1 1 -19 24 35 o 38.95309 18.78177 -151.8681      128.0958 -252.7020      500.0820 -144.7876      132.5169 71.47440 35.04705 40.18462 19.30581 31.28979       40.01262 
1 1 1 -19 24 36 o 62.24179 24.69693 115.5417       134.3568 29.13016       483.3904 122.7763       139.8681 77.13366 37.00883 63.51311 25.19934 13.62055       44.77344 
1 1 1 -19 24 37 o 50.27730 22.48114 0.2994192      135.8030 319.0983       402.7267 -40.60199      144.2518 84.71117 38.22557 48.38052 22.23095 36.33066       44.22001 
1 1 1 -19 24 38 o 47.78317 21.94587 -38.84335      140.3427 -70.62618      385.9317 -33.99994      150.6571 68.51923 32.92575 49.67696 22.78693 18.84227       40.04184 
1 1 1 -19 25 1  o 91.72923 19.47978 261.5102       101.5546 254.1951       107.7149 320.0322       304.6660 90.19865 20.78878 105.9726 38.25909 -15.77397      43.54229 
1 1 1 -19 25 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 25 3  o 178.5602 11.80368 946.9639       122.9163 0.000000       0.000000 946.9639       122.9163 ?        ?        178.5602 11.80368 0.000000       11.80368 
1 1 1 -19 25 4  o 599.3144 26.67909 11018.08       935.3762 0.000000       0.000000 11018.08       935.3762 ?        ?        599.3144 26.67909 0.000000       26.67909 
1 1 1 -19 25 5  o 42.19150 18.91089 -40.77733      96.71653 0.000000       0.000000 -40.77733      96.71653 ?        ?        42.19150 18.91089 0.000000       18.91089 
1 1 1 -19 25 6  o 154.5883 24.23740 742.5958       212.5242 0.000000       0.000000 742.5958       212.5242 ?        ?        154.5883 24.23740 0.000000       24.23740 
1 1 1 -19 25 7  o 148.2201 11.92969 654.3959       102.8267 0.000000       0.000000 654.3959       102.8267 ?        ?        148.2201 11.92969 0.000000       11.92969 
1 1 1 -19 25 8  o 97.27801 19.88232 294.7424       109.5973 0.000000       0.000000 294.7424       109.5973 ?        ?        97.27801 19.88232 0.000000       19.88232 
1 1 1 -19 25 9  o 97.75472 18.71162 296.1617       103.3692 0.000000       0.000000 296.1617       103.3692 ?        ?        97.75472 18.71162 0.000000       18.71162 
1 1 1 -19 25 10 o 187.5013 10.56791 1042.617       115.7397 0.000000       0.000000 1042.617       115.7397 ?        ?        187.5013 10.56791 0.000000       10.56791 
1 1 1 -19 25 11 o 324.5456 8.981279 3109.894       170.7838 0.000000       0.000000 3109.894       170.7838 ?        ?        324.5456 8.981279 0.000000       8.981279 
1 1 1 -19 25 12 o 123.4027 15.54155 461.7092       109.9893 0.000000       0.000000 461.7092       109.9893 ?        ?        123.4027 15.54155 0.000000       15.54155 
1 1 1 -19 25 13 o 175.2758 12.11278 915.7723       123.7476 0.000000       0.000000 915.7723       123.7476 ?        ?        175.2758 12.11278 0.000000       12.11278 
1 1 1 -19 25 14 o 255.9007 9.704165 1938.156       145.3760 0.000000       0.000000 1938.156       145.3760 ?        ?        255.9007 9.704165 0.000000       9.704165 
1 1 1 -19 25 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 25 16 o 130.1829 16.59643 516.8243       123.8353 0.000000       0.000000 516.8243       123.8353 ?        ?        130.1829 16.59643 0.000000       16.59643 
1 1 1 -19 25 17 o 77.63137 24.26895 187.0418       122.6528 0.000000       0.000000 187.0418       122.6528 ?        ?        77.63137 24.26895 0.000000       24.26895 
1 1 1 -19 25 18 o 160.4374 14.32845 776.3536       133.4029 0.000000       0.000000 776.3536       133.4029 ?        ?        160.4374 14.32845 0.000000       14.32845 
1 1 1 -19 25 19 o 202.1330 11.28949 1218.561       133.3009 0.000000       0.000000 1218.561       133.3009 ?        ?        202.1330 11.28949 0.000000       11.28949 
1 1 1 -19 25 20 o 74.59148 23.29311 174.5561       113.0199 0.000000       0.000000 174.5561       113.0199 ?        ?        74.59148 23.29311 0.000000       23.29311 
1 1 1 -19 25 21 o 249.6100 9.993526 1854.507       145.9999 0.000000       0.000000 1854.507       145.9999 ?        ?        249.6100 9.993526 0.000000       9.993526 
1 1 1 -19 25 22 o 124.6444 15.40711 478.1720       110.2323 0.000000       0.000000 478.1720       110.2323 ?        ?        124.6444 15.40711 0.000000       15.40711 
1 1 1 -19 25 23 o 33.11063 16.14979 -175.0168      102.1003 0.000000       0.000000 -175.0168      102.1003 ?        ?        33.11063 16.14979 0.000000       16.14979 
1 1 1 -19 25 24 f 98.05364 18.66734 308.0660       103.4287 0.000000       0.000000 308.0660       103.4287 ?        ?        98.05364 18.66734 0.000000       18.66734 
1 1 1 -19 25 25 o 154.9116 12.41872 729.2349       111.8822 0.000000       0.000000 729.2349       111.8822 ?        ?        154.9116 12.41872 0.000000       12.41872 
1 1 1 -19 25 26 o 62.34552 22.94950 111.0694       110.3913 0.000000       0.000000 111.0694       110.3913 ?        ?        62.34552 22.94950 0.000000       22.94950 
1 1 1 -19 25 27 o 167.5159 12.36474 854.9660       120.6201 0.000000       0.000000 854.9660       120.6201 ?        ?        167.5159 12.36474 0.000000       12.36474 
1 1 1 -19 25 28 o 86.42794 22.13890 253.5289       112.7048 0.000000       0.000000 253.5289       112.7048 ?        ?        86.42794 22.13890 0.000000       22.13890 
1 1 1 -19 25 29 o 63.19816 23.59848 118.3586       117.4877 0.000000       0.000000 118.3586       117.4877 ?        ?        63.19816 23.59848 0.000000       23.59848 
1 1 1 -19 25 30 o 89.93006 23.01918 281.3668       121.9070 -683.9667      516.3969 338.3401       125.4529 67.07496 33.37598 99.38462 22.09549 -32.30966      40.02707 
1 1 1 -19 25 31 o 140.7402 15.52733 627.8579       126.0359 451.5246       510.3679 639.3100       130.0643 98.59554 43.86661 141.7659 15.91825 -43.17041      46.66551 
1 1 1 -19 25 32 f 121.6632 22.73522 513.7532       156.2583 1117.216       498.9697 448.1363       164.5345 135.8524 48.97319 110.9328 25.78169 24.91963       55.34499 
1 1 1 -19 25 33 o 77.13486 24.88544 215.5787       128.1061 1325.992       545.7088 150.8167       131.7889 141.3982 51.18281 67.42197 25.02878 73.97626       56.97473 
1 1 1 -19 25 34 o 45.06219 20.86334 -61.24953      130.5389 -246.5650      507.9502 -48.14495      135.0756 72.07477 35.33738 46.80417 21.50868 25.27060       41.36851 
1 1 1 -19 25 35 o 46.73167 21.40332 -40.59298      132.2381 47.88329       509.1664 -46.99252      136.9370 78.73454 37.83052 47.04124 21.63180 31.69329       43.57847 
1 1 1 -19 25 36 o 85.06784 26.02353 278.8287       141.9215 435.5854       465.0188 262.7280       149.0318 89.91772 40.77586 82.10133 26.86738 7.816391       48.83162 
1 1 1 -19 25 37 o 49.72010 22.45944 -12.01906      139.4509 -421.3953      410.1047 41.50384       148.2871 60.91459 30.21404 55.40162 24.18195 5.512978       38.69955 
1 1 1 -19 25 38 o 51.28631 22.89765 9.378048       140.3183 106.3666       357.9000 -8.237946      152.5299 72.82752 33.99723 51.53440 23.36318 21.29312       41.25106 
1 1 1 -19 26 1  o 206.4016 23.71353 1312.762       281.8429 2648.932       615.9194 958.8718       316.9767 285.0447 37.77226 172.3008 32.56102 112.7440       49.86947 
1 1 1 -19 26 2  f 208.5194 10.97462 1289.182       133.7380 0.000000       0.000000 1289.182       133.7380 ?        ?        208.5194 10.97462 0.000000       10.97462 
1 1 1 -19 26 3  o 256.8040 9.953467 1950.195       149.6248 0.000000       0.000000 1950.195       149.6248 ?        ?        256.8040 9.953467 0.000000       9.953467 
1 1 1 -19 26 4  o 370.8834 31.73204 4347.122       683.5920 0.000000       0.000000 4347.122       683.5920 ?        ?        370.8834 31.73204 0.000000       31.73204 
1 1 1 -19 26 5  o 288.5325 9.384269 2459.323       158.5870 0.000000       0.000000 2459.323       158.5870 ?        ?        288.5325 9.384269 0.000000       9.384269 
1 1 1 -19 26 6  o 128.5974 14.39533 498.1439       106.7078 0.000000       0.000000 498.1439       106.7078 ?        ?        128.5974 14.39533 0.000000       14.39533 
1 1 1 -19 26 7  o 92.89379 18.39264 267.9362       96.65652 0.000000       0.000000 267.9362       96.65652 ?        ?        92.89379 18.39264 0.000000       18.39264 
1 1 1 -19 26 8  o 256.3493 9.369253 1942.475       140.6230 0.000000       0.000000 1942.475       140.6230 ?        ?        256.3493 9.369253 0.000000       9.369253 
1 1 1 -19 26 9  o 129.9393 14.65359 509.4411       109.7244 0.000000       0.000000 509.4411       109.7244 ?        ?        129.9393 14.65359 0.000000       14.65359 
1 1 1 -19 26 10 o 229.7963 9.843385 1563.331       132.3521 0.000000       0.000000 1563.331       132.3521 ?        ?        229.7963 9.843385 0.000000       9.843385 
1 1 1 -19 26 11 o 99.90678 19.50126 311.3781       110.1612 0.000000       0.000000 311.3781       110.1612 ?        ?        99.90678 19.50126 0.000000       19.50126 
1 1 1 -19 26 12 o 242.1977 11.94122 1744.969       169.0939 0.000000       0.000000 1744.969       169.0939 ?        ?        242.1977 11.94122 0.000000       11.94122 
1 1 1 -19 26 13 o 296.9160 9.296653 2607.164       161.6870 0.000000       0.000000 2607.164       161.6870 ?        ?        296.9160 9.296653 0.000000       9.296653 
1 1 1 -19 26 14 o 240.5954 9.995721 1715.671       140.7359 0.000000       0.000000 1715.671       140.7359 ?        ?        240.5954 9.995721 0.000000       9.995721 
1 1 1 -19 26 15 o 268.7057 16.55775 2180.179       259.6655 0.000000       0.000000 2180.179       259.6655 ?        ?        268.7057 16.55775 0.000000       16.55775 
1 1 1 -19 26 16 o 163.7751 13.58171 806.4069       129.2806 0.000000       0.000000 806.4069       129.2806 ?        ?        163.7751 13.58171 0.000000       13.58171 
1 1 1 -19 26 17 o 504.4773 24.47094 7962.122       721.8474 0.000000       0.000000 7962.122       721.8474 ?        ?        504.4773 24.47094 0.000000       24.47094 
1 1 1 -19 26 18 o 218.1953 10.74129 1418.123       137.0299 0.000000       0.000000 1418.123       137.0299 ?        ?        218.1953 10.74129 0.000000       10.74129 
1 1 1 -19 26 19 o 88.62225 20.93230 252.2550       107.0491 0.000000       0.000000 252.2550       107.0491 ?        ?        88.62225 20.93230 0.000000       20.93230 
1 1 1 -19 26 20 o 102.2788 18.42969 330.1173       106.4832 0.000000       0.000000 330.1173       106.4832 ?        ?        102.2788 18.42969 0.000000       18.42969 
1 1 1 -19 26 21 o 108.3419 18.44738 371.1074       113.0183 0.000000       0.000000 371.1074       113.0183 ?        ?        108.3419 18.44738 0.000000       18.44738 
1 1 1 -19 26 22 o 162.7947 12.58116 802.8976       119.1875 0.000000       0.000000 802.8976       119.1875 ?        ?        162.7947 12.58116 0.000000       12.58116 
1 1 1 -19 26 23 o 37.90648 18.03015 -122.4012      109.5541 0.000000       0.000000 -122.4012      109.5541 ?        ?        37.90648 18.03015 0.000000       18.03015 
1 1 1 -19 26 24 o 134.0277 14.59508 554.7921       112.8723 0.000000       0.000000 554.7921       112.8723 ?        ?        134.0277 14.59508 0.000000       14.59508 
1 1 1 -19 26 25 o 118.4564 16.54371 442.0683       111.8018 0.000000       0.000000 442.0683       111.8018 ?        ?        118.4564 16.54371 0.000000       16.54371 
1 1 1 -19 26 26 o 83.75906 21.15019 234.5387       103.8998 0.000000       0.000000 234.5387       103.8998 ?        ?        83.75906 21.15019 0.000000       21.15019 
1 1 1 -19 26 27 o 47.72192 20.69001 6.324022       107.0310 0.000000       0.000000 6.324022       107.0310 ?        ?        47.72192 20.69001 0.000000       20.69001 
1 1 1 -19 26 28 o 34.31927 16.70164 -167.3220      107.4949 0.000000       0.000000 -167.3220      107.4949 ?        ?        34.31927 16.70164 0.000000       16.70164 
1 1 1 -19 26 29 o 95.11029 21.49587 308.3411       117.0734 0.000000       0.000000 308.3411       117.0734 ?        ?        95.11029 21.49587 0.000000       21.49587 
1 1 1 -19 26 30 o 72.05286 24.65493 178.3337       125.3253 0.000000       0.000000 178.3337       125.3253 ?        ?        72.05286 24.65493 0.000000       24.65493 
1 1 1 -19 26 31 o 95.66769 23.45271 324.8559       130.5526 0.000000       0.000000 324.8559       130.5526 ?        ?        95.66769 23.45271 0.000000       23.45271 
1 1 1 -19 26 32 o 107.3392 22.00402 401.0285       133.8633 1597.321       547.7537 325.0423       138.0492 161.4916 51.39341 94.42937 24.66300 67.06219       57.00479 
1 1 1 -19 26 33 o 80.95896 25.22403 243.1131       132.6149 63.96664       549.3776 254.1978       136.6561 81.29311 39.12043 82.50544 25.58941 -1.212334      46.74640 
1 1 1 -19 26 34 o 57.11555 23.82154 71.65114       132.6553 -216.4149      497.3227 93.71691       137.6423 71.70248 35.11555 60.07410 24.58114 11.62838       42.86414 
1 1 1 -19 26 35 o 40.95428 19.67653 -143.3269      137.6933 121.7365       466.0935 -168.6717      144.1260 78.50333 37.29690 40.80272 19.73451 37.70061       42.19609 
1 1 1 -19 26 36 o 88.14718 25.76195 299.2548       141.5224 -72.37077      417.2727 347.5593       150.4391 70.20743 33.86318 94.77553 26.19331 -24.56810      42.81127 
1 1 1 -19 26 37 o 49.30122 22.48833 -23.24543      144.0499 28.63845       373.3971 -32.31735      156.1364 70.65966 33.51596 50.36325 23.13709 20.29641       40.72646 
1 1 1 -19 27 1  o 93.46086 21.53740 275.1873       115.6267 0.000000       0.000000 275.1873       115.6267 ?        ?        93.46086 21.53740 0.000000       21.53740 
1 1 1 -19 27 2  o 138.9967 13.98515 580.5593       112.4566 1367.141       566.7377 548.3193       114.7381 194.8752 49.49993 134.8598 14.74701 60.01534       51.64995 
1 1 1 -19 27 3  o 140.2939 14.43112 592.3112       117.0464 321.5417       557.4413 604.7993       119.7151 119.4966 49.24345 141.7349 14.61109 -22.23830      51.36537 
1 1 1 -19 27 4  o 326.8571 9.657967 3158.362       184.9344 0.000000       0.000000 3158.362       184.9344 ?        ?        326.8571 9.657967 0.000000       9.657967 
1 1 1 -19 27 5  o 170.6386 11.94561 867.5455       118.7912 0.000000       0.000000 867.5455       118.7912 ?        ?        170.6386 11.94561 0.000000       11.94561 
1 1 1 -19 27 6  o 118.8088 16.88011 431.1755       114.3120 0.000000       0.000000 431.1755       114.3120 ?        ?        118.8088 16.88011 0.000000       16.88011 
1 1 1 -19 27 7  o 213.9677 9.986400 1356.304       124.9706 0.000000       0.000000 1356.304       124.9706 ?        ?        213.9677 9.986400 0.000000       9.986400 
1 1 1 -19 27 8  o 44.26704 19.61699 -29.15234      101.0553 0.000000       0.000000 -29.15234      101.0553 ?        ?        44.26704 19.61699 0.000000       19.61699 
1 1 1 -19 27 9  o 149.4596 13.88233 671.1478       120.2940 0.000000       0.000000 671.1478       120.2940 ?        ?        149.4596 13.88233 0.000000       13.88233 
1 1 1 -19 27 10 o 226.6230 10.47681 1523.498       138.8695 0.000000       0.000000 1523.498       138.8695 ?        ?        226.6230 10.47681 0.000000       10.47681 
1 1 1 -19 27 11 o 127.4688 15.40874 493.1081       112.8568 0.000000       0.000000 493.1081       112.8568 ?        ?        127.4688 15.40874 0.000000       15.40874 
1 1 1 -19 27 12 o 134.6895 14.93331 549.1595       115.9818 0.000000       0.000000 549.1595       115.9818 ?        ?        134.6895 14.93331 0.000000       14.93331 
1 1 1 -19 27 13 o 122.2636 16.74468 457.8977       116.9161 0.000000       0.000000 457.8977       116.9161 ?        ?        122.2636 16.74468 0.000000       16.74468 
1 1 1 -19 27 14 o 225.6887 10.47888 1513.606       138.3209 0.000000       0.000000 1513.606       138.3209 ?        ?        225.6887 10.47888 0.000000       10.47888 
1 1 1 -19 27 15 o 190.0310 11.96617 1079.499       132.6843 0.000000       0.000000 1079.499       132.6843 ?        ?        190.0310 11.96617 0.000000       11.96617 
1 1 1 -19 27 16 o 133.8123 16.74482 549.6382       128.5407 0.000000       0.000000 549.6382       128.5407 ?        ?        133.8123 16.74482 0.000000       16.74482 
1 1 1 -19 27 17 o 49.47863 21.35336 -0.3466257     112.9638 0.000000       0.000000 -0.3466257     112.9638 ?        ?        49.47863 21.35336 0.000000       21.35336 
1 1 1 -19 27 18 o 54.50102 22.09470 48.72773       109.9763 0.000000       0.000000 48.72773       109.9763 ?        ?        54.50102 22.09470 0.000000       22.09470 
1 1 1 -19 27 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 27 20 o 87.00051 22.01599 248.6916       112.4087 0.000000       0.000000 248.6916       112.4087 ?        ?        87.00051 22.01599 0.000000       22.01599 
1 1 1 -19 27 21 f 330.5867 9.185815 3256.098       177.9231 0.000000       0.000000 3256.098       177.9231 ?        ?        330.5867 9.185815 0.000000       9.185815 
1 1 1 -19 27 22 o 59.86275 22.68664 93.48305       109.4672 0.000000       0.000000 93.48305       109.4672 ?        ?        59.86275 22.68664 0.000000       22.68664 
1 1 1 -19 27 23 f 141.7725 13.29128 615.4556       109.2234 0.000000       0.000000 615.4556       109.2234 ?        ?        141.7725 13.29128 0.000000       13.29128 
1 1 1 -19 27 24 o 126.4068 15.75221 499.8053       114.2515 0.000000       0.000000 499.8053       114.2515 ?        ?        126.4068 15.75221 0.000000       15.75221 
1 1 1 -19 27 25 o 207.5075 10.57745 1298.352       128.3011 0.000000       0.000000 1298.352       128.3011 ?        ?        207.5075 10.57745 0.000000       10.57745 
1 1 1 -19 27 26 f 50.24398 21.42624 22.73901       111.2352 0.000000       0.000000 22.73901       111.2352 ?        ?        50.24398 21.42624 0.000000       21.42624 
1 1 1 -19 27 27 o 50.16124 21.53381 20.04424       113.7243 0.000000       0.000000 20.04424       113.7243 ?        ?        50.16124 21.53381 0.000000       21.53381 
1 1 1 -19 27 28 o 111.3043 19.25823 408.7460       121.1638 0.000000       0.000000 408.7460       121.1638 ?        ?        111.3043 19.25823 0.000000       19.25823 
1 1 1 -19 27 29 o 74.86954 24.16972 196.0488       120.8311 0.000000       0.000000 196.0488       120.8311 ?        ?        74.86954 24.16972 0.000000       24.16972 
1 1 1 -19 27 30 o 53.01288 22.76053 32.77067       127.0769 0.000000       0.000000 32.77067       127.0769 ?        ?        53.01288 22.76053 0.000000       22.76053 
1 1 1 -19 27 31 o 132.7982 18.60766 583.5411       140.9505 0.000000       0.000000 583.5411       140.9505 ?        ?        132.7982 18.60766 0.000000       18.60766 
1 1 1 -19 27 32 o 63.88824 25.13198 123.7548       138.0414 0.000000       0.000000 123.7548       138.0414 ?        ?        63.88824 25.13198 0.000000       25.13198 
1 1 1 -19 27 33 o 69.04919 26.04391 164.2383       143.8662 0.000000       0.000000 164.2383       143.8662 ?        ?        69.04919 26.04391 0.000000       26.04391 
1 1 1 -19 27 34 o 104.0100 23.56581 394.5103       140.4098 -429.7797      456.5757 480.6089       147.5607 64.05783 31.79154 116.1707 22.47095 -52.11282      38.93129 
1 1 1 -19 27 35 o 47.79649 21.92889 -37.93044      139.6227 -387.0253      422.4131 4.887627       147.9378 62.51920 30.94868 52.29121 23.41681 10.22799       38.80937 
1 1 1 -19 27 36 o 65.62023 25.76068 145.0927       144.7785 124.1329       390.7025 148.4288       155.8754 74.99314 35.17374 66.50788 26.53192 8.485260       44.05830 
1 1 1 -19 28 1  o 85.80095 23.96563 233.0132       125.2108 396.9634       530.8359 223.3541       128.8465 121.6565 48.81632 84.21154 24.57257 37.44498       54.65203 
1 1 1 -19 28 2  o 173.1568 27.55368 953.0516       270.4477 965.4438       534.1917 948.7806       313.6089 162.1217 50.64268 170.2752 32.59084 -8.153534      60.22328 
1 1 1 -19 28 3  o 132.7963 17.68169 539.1718       134.2893 1214.497       513.7259 489.6414       139.1268 183.5870 47.39104 125.9035 19.46940 57.68349       51.23445 
1 1 1 -19 28 4  f 95.95082 22.24110 291.7454       122.7115 0.000000       0.000000 291.7454       122.7115 ?        ?        95.95082 22.24110 0.000000       22.24110 
1 1 1 -19 28 5  o 130.2044 13.97072 510.9125       105.0166 0.000000       0.000000 510.9125       105.0166 ?        ?        130.2044 13.97072 0.000000       13.97072 
1 1 1 -19 28 6  o 48.74068 20.87186 1.610071       106.3477 0.000000       0.000000 1.610071       106.3477 ?        ?        48.74068 20.87186 0.000000       20.87186 
1 1 1 -19 28 7  o 232.7413 9.662866 1604.264       131.6086 0.000000       0.000000 1604.264       131.6086 ?        ?        232.7413 9.662866 0.000000       9.662866 
1 1 1 -19 28 8  o 48.33612 20.96476 -8.990605      109.9830 0.000000       0.000000 -8.990605      109.9830 ?        ?        48.33612 20.96476 0.000000       20.96476 
1 1 1 -19 28 9  o 258.3593 9.947262 1978.384       150.4410 0.000000       0.000000 1978.384       150.4410 ?        ?        258.3593 9.947262 0.000000       9.947262 
1 1 1 -19 28 10 o 59.51637 22.69870 80.81560       110.0126 0.000000       0.000000 80.81560       110.0126 ?        ?        59.51637 22.69870 0.000000       22.69870 
1 1 1 -19 28 11 o 188.7514 11.99642 1064.062       132.1110 0.000000       0.000000 1064.062       132.1110 ?        ?        188.7514 11.99642 0.000000       11.99642 
1 1 1 -19 28 12 o 116.7932 18.23125 422.8218       120.7998 0.000000       0.000000 422.8218       120.7998 ?        ?        116.7932 18.23125 0.000000       18.23125 
1 1 1 -19 28 13 o 44.67191 20.75848 -103.1938      131.0371 0.000000       0.000000 -103.1938      131.0371 ?        ?        44.67191 20.75848 0.000000       20.75848 
1 1 1 -19 28 14 o 223.0766 10.78001 1482.759       140.6165 0.000000       0.000000 1482.759       140.6165 ?        ?        223.0766 10.78001 0.000000       10.78001 
1 1 1 -19 28 15 o 74.48390 23.17843 175.1658       112.0146 0.000000       0.000000 175.1658       112.0146 ?        ?        74.48390 23.17843 0.000000       23.17843 
1 1 1 -19 28 16 o 159.2086 14.18005 769.8160       131.0180 0.000000       0.000000 769.8160       131.0180 ?        ?        159.2086 14.18005 0.000000       14.18005 
1 1 1 -19 28 17 o 34.65633 16.89678 -189.9445      111.4402 0.000000       0.000000 -189.9445      111.4402 ?        ?        34.65633 16.89678 0.000000       16.89678 
1 1 1 -19 28 18 o 74.55316 23.15750 179.4371       111.8690 0.000000       0.000000 179.4371       111.8690 ?        ?        74.55316 23.15750 0.000000       23.15750 
1 1 1 -19 28 19 o 55.59882 22.26329 60.71798       110.1711 0.000000       0.000000 60.71798       110.1711 ?        ?        55.59882 22.26329 0.000000       22.26329 
1 1 1 -19 28 20 o 60.58610 22.64835 98.80122       108.2782 0.000000       0.000000 98.80122       108.2782 ?        ?        60.58610 22.64835 0.000000       22.64835 
1 1 1 -19 28 21 o 43.43349 20.62179 -144.4165      142.0307 0.000000       0.000000 -144.4165      142.0307 ?        ?        43.43349 20.62179 0.000000       20.62179 
1 1 1 -19 28 22 o 69.52978 22.86092 156.0032       107.8452 0.000000       0.000000 156.0032       107.8452 ?        ?        69.52978 22.86092 0.000000       22.86092 
1 1 1 -19 28 23 f 82.22459 22.41937 227.8619       111.0645 0.000000       0.000000 227.8619       111.0645 ?        ?        82.22459 22.41937 0.000000       22.41937 
1 1 1 -19 28 24 o 53.09907 21.92072 46.60988       110.7251 0.000000       0.000000 46.60988       110.7251 ?        ?        53.09907 21.92072 0.000000       21.92072 
1 1 1 -19 28 25 o 43.77645 19.72881 -31.93398      106.8834 0.000000       0.000000 -31.93398      106.8834 ?        ?        43.77645 19.72881 0.000000       19.72881 
1 1 1 -19 28 26 o 114.8513 18.50296 430.0709       120.3977 0.000000       0.000000 430.0709       120.3977 ?        ?        114.8513 18.50296 0.000000       18.50296 
1 1 1 -19 28 27 o 85.34557 23.86814 256.7437       124.1115 0.000000       0.000000 256.7437       124.1115 ?        ?        85.34557 23.86814 0.000000       23.86814 
1 1 1 -19 28 28 o 44.18786 20.35964 -59.28109      122.1433 0.000000       0.000000 -59.28109      122.1433 ?        ?        44.18786 20.35964 0.000000       20.35964 
1 1 1 -19 28 29 o 87.17826 24.73547 275.8566       132.3007 0.000000       0.000000 275.8566       132.3007 ?        ?        87.17826 24.73547 0.000000       24.73547 
1 1 1 -19 28 30 o 61.84579 24.65933 106.6979       134.5799 0.000000       0.000000 106.6979       134.5799 ?        ?        61.84579 24.65933 0.000000       24.65933 
1 1 1 -19 28 31 o 35.63188 17.63054 -260.8712      136.5036 0.000000       0.000000 -260.8712      136.5036 ?        ?        35.63188 17.63054 0.000000       17.63054 
1 1 1 -19 28 32 o 52.48008 23.14725 16.10872       139.1099 0.000000       0.000000 16.10872       139.1099 ?        ?        52.48008 23.14725 0.000000       23.14725 
1 1 1 -19 28 33 o 86.32675 26.89218 290.9707       150.7419 0.000000       0.000000 290.9707       150.7419 ?        ?        86.32675 26.89218 0.000000       26.89218 
1 1 1 -19 28 34 o 150.2788 19.13439 764.1904       164.8218 0.000000       0.000000 764.1904       164.8218 ?        ?        150.2788 19.13439 0.000000       19.13439 
1 1 1 -19 28 35 o 57.86633 24.75600 69.53162       149.3514 0.000000       0.000000 69.53162       149.3514 ?        ?        57.86633 24.75600 0.000000       24.75600 
1 1 1 -19 29 1  o 171.1569 13.56127 878.8790       135.0154 1499.796       552.9362 839.5105       139.2298 203.0098 47.31947 167.0293 14.35212 35.98047       49.44811 
1 1 1 -19 29 2  o 143.6653 16.07383 626.9293       133.1135 760.9918       542.8571 618.3527       137.3054 144.4314 51.19246 142.4576 16.75425 1.973724       53.86440 
1 1 1 -19 29 3  o 174.7271 27.20339 975.0978       269.6913 1584.006       541.1099 773.8498       311.0825 210.4220 45.19646 151.0401 35.68846 59.38194       57.58807 
1 1 1 -19 29 4  o 93.78503 22.49166 280.4930       122.1131 0.000000       0.000000 280.4930       122.1131 ?        ?        93.78503 22.49166 0.000000       22.49166 
1 1 1 -19 29 5  o 214.7551 20.49412 1418.579       254.9943 0.000000       0.000000 1418.579       254.9943 ?        ?        214.7551 20.49412 0.000000       20.49412 
1 1 1 -19 29 6  o 134.7265 15.23629 550.8983       118.2777 0.000000       0.000000 550.8983       118.2777 ?        ?        134.7265 15.23629 0.000000       15.23629 
1 1 1 -19 29 7  o 290.1366 9.334178 2492.832       158.6221 0.000000       0.000000 2492.832       158.6221 ?        ?        290.1366 9.334178 0.000000       9.334178 
1 1 1 -19 29 8  o 330.4717 9.537899 3235.615       184.6643 0.000000       0.000000 3235.615       184.6643 ?        ?        330.4717 9.537899 0.000000       9.537899 
1 1 1 -19 29 9  o 112.0118 18.00258 389.2904       114.2567 0.000000       0.000000 389.2904       114.2567 ?        ?        112.0118 18.00258 0.000000       18.00258 
1 1 1 -19 29 10 o 53.69991 22.56754 23.08788       120.4331 0.000000       0.000000 23.08788       120.4331 ?        ?        53.69991 22.56754 0.000000       22.56754 
1 1 1 -19 29 11 o 44.61001 20.01578 -40.73327      108.6584 0.000000       0.000000 -40.73327      108.6584 ?        ?        44.61001 20.01578 0.000000       20.01578 
1 1 1 -19 29 12 o 91.47359 22.23334 270.2860       118.0945 0.000000       0.000000 270.2860       118.0945 ?        ?        91.47359 22.23334 0.000000       22.23334 
1 1 1 -19 29 13 o 111.3054 18.12145 387.7771       114.2275 0.000000       0.000000 387.7771       114.2275 ?        ?        111.3054 18.12145 0.000000       18.12145 
1 1 1 -19 29 14 o 199.9851 10.84499 1196.114       126.7212 0.000000       0.000000 1196.114       126.7212 ?        ?        199.9851 10.84499 0.000000       10.84499 
1 1 1 -19 29 15 o 58.50987 22.63347 79.32271       110.4552 0.000000       0.000000 79.32271       110.4552 ?        ?        58.50987 22.63347 0.000000       22.63347 
1 1 1 -19 29 16 f 165.6608 12.93751 831.7545       124.6996 0.000000       0.000000 831.7545       124.6996 ?        ?        165.6608 12.93751 0.000000       12.93751 
1 1 1 -19 29 17 o 159.9611 13.33904 778.7690       124.0000 0.000000       0.000000 778.7690       124.0000 ?        ?        159.9611 13.33904 0.000000       13.33904 
1 1 1 -19 29 18 o 172.1475 12.12733 896.8865       121.6546 0.000000       0.000000 896.8865       121.6546 ?        ?        172.1475 12.12733 0.000000       12.12733 
1 1 1 -19 29 19 o 140.2883 14.44009 606.2858       117.1121 0.000000       0.000000 606.2858       117.1121 ?        ?        140.2883 14.44009 0.000000       14.44009 
1 1 1 -19 29 20 o 58.11629 21.92299 89.28751       101.9475 0.000000       0.000000 89.28751       101.9475 ?        ?        58.11629 21.92299 0.000000       21.92299 
1 1 1 -19 29 21 o 89.48183 20.87269 265.5814       107.5204 0.000000       0.000000 265.5814       107.5204 ?        ?        89.48183 20.87269 0.000000       20.87269 
1 1 1 -19 29 22 o 45.77586 20.22792 -13.21121      106.7062 0.000000       0.000000 -13.21121      106.7062 ?        ?        45.77586 20.22792 0.000000       20.22792 
1 1 1 -19 29 23 o 103.5907 19.72985 353.1173       115.4897 0.000000       0.000000 353.1173       115.4897 ?        ?        103.5907 19.72985 0.000000       19.72985 
1 1 1 -19 29 24 o 86.27720 28.21836 269.7122       164.4067 0.000000       0.000000 269.7122       164.4067 ?        ?        86.27720 28.21836 0.000000       28.21836 
1 1 1 -19 29 25 o 50.06201 21.55819 18.32100       114.6567 0.000000       0.000000 18.32100       114.6567 ?        ?        50.06201 21.55819 0.000000       21.55819 
1 1 1 -19 29 26 o 154.6228 13.57347 742.9897       121.8400 0.000000       0.000000 742.9897       121.8400 ?        ?        154.6228 13.57347 0.000000       13.57347 
1 1 1 -19 29 27 o 45.73771 20.77345 -36.97698      121.2689 0.000000       0.000000 -36.97698      121.2689 ?        ?        45.73771 20.77345 0.000000       20.77345 
1 1 1 -19 29 28 o 49.41005 21.96520 -5.128468      127.6963 0.000000       0.000000 -5.128468      127.6963 ?        ?        49.41005 21.96520 0.000000       21.96520 
1 1 1 -19 29 29 o 176.2556 14.44685 980.3760       148.0274 0.000000       0.000000 980.3760       148.0274 ?        ?        176.2556 14.44685 0.000000       14.44685 
1 1 1 -19 29 30 o 159.8241 15.56085 818.3826       144.0119 0.000000       0.000000 818.3826       144.0119 ?        ?        159.8241 15.56085 0.000000       15.56085 
1 1 1 -19 29 31 o 89.08355 25.78836 300.6138       142.4206 0.000000       0.000000 300.6138       142.4206 ?        ?        89.08355 25.78836 0.000000       25.78836 
1 1 1 -19 29 32 o 87.31625 26.89820 298.0145       151.2927 0.000000       0.000000 298.0145       151.2927 ?        ?        87.31625 26.89820 0.000000       26.89820 
1 1 1 -19 29 33 o 161.2081 17.70862 862.2227       164.6722 0.000000       0.000000 862.2227       164.6722 ?        ?        161.2081 17.70862 0.000000       17.70862 
1 1 1 -19 29 34 o 57.94421 24.90098 67.18266       152.3693 0.000000       0.000000 67.18266       152.3693 ?        ?        57.94421 24.90098 0.000000       24.90098 
1 1 1 -19 30 1  o 77.39452 25.10276 185.0502       130.2472 398.9960       512.6593 170.2877       134.6658 117.5316 47.68312 75.36554 25.56154 42.16602       54.10243 
1 1 1 -19 30 2  f 186.3798 25.73972 1107.285       273.8508 898.5857       525.2756 1185.183       320.9145 152.2901 50.46945 190.5357 29.68542 -38.24556      58.55245 
1 1 1 -19 30 3  f 180.5425 12.95152 978.0566       136.2247 1262.266       530.6976 958.0093       140.9473 181.5721 48.79609 178.4768 13.56721 3.095261       50.64708 
1 1 1 -19 30 4  o 176.6671 13.03283 937.2065       134.0839 1947.081       535.3412 869.6145       138.4984 235.8055 40.14746 169.8247 14.03080 65.98080       42.52860 
1 1 1 -19 30 5  o 291.4268 10.02579 2521.629       171.1006 0.000000       0.000000 2521.629       171.1006 ?        ?        291.4268 10.02579 0.000000       10.02579 
1 1 1 -19 30 6  o 273.1080 9.452552 2212.479       151.1746 0.000000       0.000000 2212.479       151.1746 ?        ?        273.1080 9.452552 0.000000       9.452552 
1 1 1 -19 30 7  o 57.01650 22.92035 56.51927       117.2491 0.000000       0.000000 56.51927       117.2491 ?        ?        57.01650 22.92035 0.000000       22.92035 
1 1 1 -19 30 8  o 165.5099 13.25320 825.8412       127.5715 0.000000       0.000000 825.8412       127.5715 ?        ?        165.5099 13.25320 0.000000       13.25320 
1 1 1 -19 30 9  o 79.92772 23.50288 205.6345       117.4814 0.000000       0.000000 205.6345       117.4814 ?        ?        79.92772 23.50288 0.000000       23.50288 
1 1 1 -19 30 10 f 32.75304 16.02514 -187.9451      102.8310 0.000000       0.000000 -187.9451      102.8310 ?        ?        32.75304 16.02514 0.000000       16.02514 
1 1 1 -19 30 11 f 115.9969 17.51694 419.9493       115.4569 0.000000       0.000000 419.9493       115.4569 ?        ?        115.9969 17.51694 0.000000       17.51694 
1 1 1 -19 30 12 o 62.00615 22.71821 104.7275       107.9750 0.000000       0.000000 104.7275       107.9750 ?        ?        62.00615 22.71821 0.000000       22.71821 
1 1 1 -19 30 13 o 176.6024 11.32789 937.1821       116.7079 0.000000       0.000000 937.1821       116.7079 ?        ?        176.6024 11.32789 0.000000       11.32789 
1 1 1 -19 30 14 o 71.75379 23.12497 164.2527       110.6410 0.000000       0.000000 164.2527       110.6410 ?        ?        71.75379 23.12497 0.000000       23.12497 
1 1 1 -19 30 15 o 156.0827 13.07696 740.9512       118.6056 0.000000       0.000000 740.9512       118.6056 ?        ?        156.0827 13.07696 0.000000       13.07696 
1 1 1 -19 30 16 f 84.02473 21.98338 233.8707       109.5568 0.000000       0.000000 233.8707       109.5568 ?        ?        84.02473 21.98338 0.000000       21.98338 
1 1 1 -19 30 17 o 122.0834 16.59725 467.6409       115.7602 0.000000       0.000000 467.6409       115.7602 ?        ?        122.0834 16.59725 0.000000       16.59725 
1 1 1 -19 30 18 o 64.45304 22.98117 124.5775       109.5493 0.000000       0.000000 124.5775       109.5493 ?        ?        64.45304 22.98117 0.000000       22.98117 
1 1 1 -19 30 19 o 117.3123 17.76493 438.2687       118.4031 0.000000       0.000000 438.2687       118.4031 ?        ?        117.3123 17.76493 0.000000       17.76493 
1 1 1 -19 30 20 o 40.17325 18.90646 -101.4878      114.5673 0.000000       0.000000 -101.4878      114.5673 ?        ?        40.17325 18.90646 0.000000       18.90646 
1 1 1 -19 30 21 o 74.30731 23.39964 185.9444       113.8167 0.000000       0.000000 185.9444       113.8167 ?        ?        74.30731 23.39964 0.000000       23.39964 
1 1 1 -19 30 22 o 75.32372 23.55669 193.7762       115.5474 0.000000       0.000000 193.7762       115.5474 ?        ?        75.32372 23.55669 0.000000       23.55669 
1 1 1 -19 30 23 o 49.01988 21.27231 10.00994       113.3534 0.000000       0.000000 10.00994       113.3534 ?        ?        49.01988 21.27231 0.000000       21.27231 
1 1 1 -19 30 24 o 43.55766 19.77616 -38.77678      109.7830 0.000000       0.000000 -38.77678      109.7830 ?        ?        43.55766 19.77616 0.000000       19.77616 
1 1 1 -19 30 25 o 107.2283 19.80657 384.0172       119.9701 0.000000       0.000000 384.0172       119.9701 ?        ?        107.2283 19.80657 0.000000       19.80657 
1 1 1 -19 30 26 o 52.27577 25.74266 -393.8666      279.1872 0.000000       0.000000 -393.8666      279.1872 ?        ?        52.27577 25.74266 0.000000       25.74266 
1 1 1 -19 30 27 o 84.82419 23.99284 259.5777       124.6720 0.000000       0.000000 259.5777       124.6720 ?        ?        84.82419 23.99284 0.000000       23.99284 
1 1 1 -19 30 28 o 121.8666 20.34339 504.8555       140.2760 0.000000       0.000000 504.8555       140.2760 ?        ?        121.8666 20.34339 0.000000       20.34339 
1 1 1 -19 30 29 o 122.8763 20.12599 513.5189       140.0194 0.000000       0.000000 513.5189       140.0194 ?        ?        122.8763 20.12599 0.000000       20.12599 
1 1 1 -19 30 30 o 70.06425 25.90879 173.7406       140.9712 0.000000       0.000000 173.7406       140.9712 ?        ?        70.06425 25.90879 0.000000       25.90879 
1 1 1 -19 30 31 o 176.7493 15.82849 1010.099       162.3418 0.000000       0.000000 1010.099       162.3418 ?        ?        176.7493 15.82849 0.000000       15.82849 
1 1 1 -19 30 32 o 79.23991 27.38121 245.7343       154.6910 0.000000       0.000000 245.7343       154.6910 ?        ?        79.23991 27.38121 0.000000       27.38121 
1 1 1 -19 30 33 o 56.92738 24.99752 46.37160       160.5775 0.000000       0.000000 46.37160       160.5775 ?        ?        56.92738 24.99752 0.000000       24.99752 
1 1 1 -19 31 1  o 189.4736 11.84021 1076.244       130.9129 1277.604       455.9569 1058.153       136.6673 184.8342 42.89184 187.6381 12.49029 -2.803940      44.67345 
1 1 1 -19 31 2  o 166.2895 14.89312 840.8700       143.7086 292.8319       480.2975 894.7575       150.6083 106.8956 45.00401 171.4757 15.13107 -64.58012      47.47958 
1 1 1 -19 31 3  o 156.7473 13.33717 742.6571       121.4435 0.000000       0.000000 742.6571       121.4435 ?        ?        156.7473 13.33717 0.000000       13.33717 
1 1 1 -19 31 4  o 135.8430 15.28376 564.7056       119.6533 0.000000       0.000000 564.7056       119.6533 ?        ?        135.8430 15.28376 0.000000       15.28376 
1 1 1 -19 31 5  o 101.0743 21.02984 328.1406       120.5963 0.000000       0.000000 328.1406       120.5963 ?        ?        101.0743 21.02984 0.000000       21.02984 
1 1 1 -19 31 6  o 66.74313 23.28553 130.9553       112.0030 0.000000       0.000000 130.9553       112.0030 ?        ?        66.74313 23.28553 0.000000       23.28553 
1 1 1 -19 31 7  o 159.4921 12.93010 768.8641       119.9097 1453.295       488.4305 724.9676       123.6952 194.5404 43.86074 154.5259 13.79389 40.01445       45.97864 
1 1 1 -19 31 8  o 148.7037 14.47428 674.7616       124.6364 0.000000       0.000000 674.7616       124.6364 ?        ?        148.7037 14.47428 0.000000       14.47428 
1 1 1 -19 31 9  o 200.9356 10.75703 1208.946       126.3031 0.000000       0.000000 1208.946       126.3031 ?        ?        200.9356 10.75703 0.000000       10.75703 
1 1 1 -19 31 10 o 159.3510 13.17595 770.6511       122.0370 0.000000       0.000000 770.6511       122.0370 ?        ?        159.3510 13.17595 0.000000       13.17595 
1 1 1 -19 31 11 o 75.74474 23.35378 186.6373       114.0178 0.000000       0.000000 186.6373       114.0178 ?        ?        75.74474 23.35378 0.000000       23.35378 
1 1 1 -19 31 12 o 111.2066 16.96781 388.4214       107.1650 0.000000       0.000000 388.4214       107.1650 ?        ?        111.2066 16.96781 0.000000       16.96781 
1 1 1 -19 31 13 o 48.88355 20.99829 8.916113       108.2637 0.000000       0.000000 8.916113       108.2637 ?        ?        48.88355 20.99829 0.000000       20.99829 
1 1 1 -19 31 14 f 93.44276 19.88721 284.1549       105.6372 0.000000       0.000000 284.1549       105.6372 ?        ?        93.44276 19.88721 0.000000       19.88721 
1 1 1 -19 31 15 o 102.8131 19.58962 342.4499       113.8089 0.000000       0.000000 342.4499       113.8089 ?        ?        102.8131 19.58962 0.000000       19.58962 
1 1 1 -19 31 16 o 156.4952 13.36960 749.4506       121.5331 0.000000       0.000000 749.4506       121.5331 ?        ?        156.4952 13.36960 0.000000       13.36960 
1 1 1 -19 31 17 o 48.82281 21.01766 10.20072       108.9106 0.000000       0.000000 10.20072       108.9106 ?        ?        48.82281 21.01766 0.000000       21.01766 
1 1 1 -19 31 18 o 121.5197 16.86973 467.6674       116.9899 0.000000       0.000000 467.6674       116.9899 ?        ?        121.5197 16.86973 0.000000       16.86973 
1 1 1 -19 31 19 o 98.15930 21.24526 322.1471       118.7503 0.000000       0.000000 322.1471       118.7503 ?        ?        98.15930 21.24526 0.000000       21.24526 
1 1 1 -19 31 20 o 48.69773 21.50043 -7.800145      120.3045 0.000000       0.000000 -7.800145      120.3045 ?        ?        48.69773 21.50043 0.000000       21.50043 
1 1 1 -19 31 21 o 52.13382 22.01779 34.90933       115.5443 0.000000       0.000000 34.90933       115.5443 ?        ?        52.13382 22.01779 0.000000       22.01779 
1 1 1 -19 31 22 o 171.9325 13.28045 913.3028       132.8753 0.000000       0.000000 913.3028       132.8753 ?        ?        171.9325 13.28045 0.000000       13.28045 
1 1 1 -19 31 23 o 65.68705 23.75299 137.9926       117.4921 0.000000       0.000000 137.9926       117.4921 ?        ?        65.68705 23.75299 0.000000       23.75299 
1 1 1 -19 31 24 o 132.7686 16.70007 566.6699       127.1661 0.000000       0.000000 566.6699       127.1661 ?        ?        132.7686 16.70007 0.000000       16.70007 
1 1 1 -19 31 25 o 120.8146 18.49652 481.5391       126.8922 0.000000       0.000000 481.5391       126.8922 ?        ?        120.8146 18.49652 0.000000       18.49652 
1 1 1 -19 31 26 o 97.34744 23.24517 337.5816       130.8755 0.000000       0.000000 337.5816       130.8755 ?        ?        97.34744 23.24517 0.000000       23.24517 
1 1 1 -19 31 27 o 75.48456 26.37118 208.6635       143.6818 0.000000       0.000000 208.6635       143.6818 ?        ?        75.48456 26.37118 0.000000       26.37118 
1 1 1 -19 31 28 o 49.65265 22.82517 -46.12439      152.2895 0.000000       0.000000 -46.12439      152.2895 ?        ?        49.65265 22.82517 0.000000       22.82517 
1 1 1 -19 31 29 o 88.00124 27.45315 303.5255       157.0360 0.000000       0.000000 303.5255       157.0360 ?        ?        88.00124 27.45315 0.000000       27.45315 
1 1 1 -19 31 30 o 231.8585 13.24614 1687.623       179.3708 0.000000       0.000000 1687.623       179.3708 ?        ?        231.8585 13.24614 0.000000       13.24614 
1 1 1 -19 31 31 o 62.35479 26.12809 102.4475       160.7038 0.000000       0.000000 102.4475       160.7038 ?        ?        62.35479 26.12809 0.000000       26.12809 
1 1 1 -19 32 1  o 69.44793 24.12349 145.7551       120.1404 246.6145       427.7193 137.1160       125.1801 99.15794 42.14070 68.52509 24.55092 30.63285       48.77075 
1 1 1 -19 32 2  o 195.1360 41.85430 1454.973       464.6278 1454.973       464.6278 0.000000       0.000000 195.1360 41.85430 ?        ?        0.000000       41.85430 
1 1 1 -19 32 3  o 190.3671 11.91549 1091.029       132.3642 881.3432       452.9546 1110.607       138.4057 145.0896 46.79237 191.8837 12.36469 -46.79407      48.39847 
1 1 1 -19 32 4  o 67.77264 23.98303 136.0590       119.1065 0.000000       0.000000 136.0590       119.1065 ?        ?        67.77264 23.98303 0.000000       23.98303 
1 1 1 -19 32 5  o 80.71897 23.95232 214.3903       121.5616 0.000000       0.000000 214.3903       121.5616 ?        ?        80.71897 23.95232 0.000000       23.95232 
1 1 1 -19 32 6  o 190.5536 11.56740 1092.652       128.6628 894.9699       489.2976 1107.336       133.3558 142.8891 48.72020 191.6831 11.92154 -48.79399      50.15756 
1 1 1 -19 32 7  o 276.4142 9.313463 2276.640       150.7653 2024.754       479.7243 2304.245       158.8120 237.0393 35.60762 277.8706 9.760346 -40.83131      36.92109 
1 1 1 -19 32 8  o 80.89179 23.32051 216.4975       116.6898 1296.689       467.2799 144.6558       120.5078 178.0779 44.79055 68.95890 24.14684 109.1190       50.88481 
1 1 1 -19 32 9  o 78.22984 23.61192 201.8697       117.3715 0.000000       0.000000 201.8697       117.3715 ?        ?        78.22984 23.61192 0.000000       23.61192 
1 1 1 -19 32 10 o 64.70744 22.83700 125.0832       107.9374 0.000000       0.000000 125.0832       107.9374 ?        ?        64.70744 22.83700 0.000000       22.83700 
1 1 1 -19 32 11 o 70.86535 23.39219 160.8438       112.8760 0.000000       0.000000 160.8438       112.8760 ?        ?        70.86535 23.39219 0.000000       23.39219 
1 1 1 -19 32 12 o 125.9233 16.74519 497.8335       120.6025 0.000000       0.000000 497.8335       120.6025 ?        ?        125.9233 16.74519 0.000000       16.74519 
1 1 1 -19 32 13 o 77.62025 22.73511 200.7041       110.1154 0.000000       0.000000 200.7041       110.1154 ?        ?        77.62025 22.73511 0.000000       22.73511 
1 1 1 -19 32 14 o 146.8436 13.80451 662.6238       117.4905 0.000000       0.000000 662.6238       117.4905 ?        ?        146.8436 13.80451 0.000000       13.80451 
1 1 1 -19 32 15 o 118.4861 16.77914 443.8059       113.3389 0.000000       0.000000 443.8059       113.3389 ?        ?        118.4861 16.77914 0.000000       16.77914 
1 1 1 -19 32 16 o 56.75702 22.71473 70.02308       114.6203 0.000000       0.000000 70.02308       114.6203 ?        ?        56.75702 22.71473 0.000000       22.71473 
1 1 1 -19 32 17 o 101.3656 20.07872 339.0833       115.1423 0.000000       0.000000 339.0833       115.1423 ?        ?        101.3656 20.07872 0.000000       20.07872 
1 1 1 -19 32 18 o 75.70253 22.87121 195.2389       110.0851 0.000000       0.000000 195.2389       110.0851 ?        ?        75.70253 22.87121 0.000000       22.87121 
1 1 1 -19 32 19 o 39.00555 18.54382 -118.2131      115.6008 0.000000       0.000000 -118.2131      115.6008 ?        ?        39.00555 18.54382 0.000000       18.54382 
1 1 1 -19 32 20 o 92.84147 22.21506 296.0392       119.3392 0.000000       0.000000 296.0392       119.3392 ?        ?        92.84147 22.21506 0.000000       22.21506 
1 1 1 -19 32 21 o 118.8114 18.55108 461.8025       125.0415 0.000000       0.000000 461.8025       125.0415 ?        ?        118.8114 18.55108 0.000000       18.55108 
1 1 1 -19 32 22 o 122.8199 18.55212 494.5845       129.4708 0.000000       0.000000 494.5845       129.4708 ?        ?        122.8199 18.55212 0.000000       18.55212 
1 1 1 -19 32 23 o 119.8254 19.47254 478.3090       132.1489 0.000000       0.000000 478.3090       132.1489 ?        ?        119.8254 19.47254 0.000000       19.47254 
1 1 1 -19 32 24 o 66.95518 24.78340 147.2460       129.0466 0.000000       0.000000 147.2460       129.0466 ?        ?        66.95518 24.78340 0.000000       24.78340 
1 1 1 -19 32 25 o 68.73627 25.58042 159.7484       137.8242 0.000000       0.000000 159.7484       137.8242 ?        ?        68.73627 25.58042 0.000000       25.58042 
1 1 1 -19 32 26 o 52.55230 23.01315 20.83062       135.2596 0.000000       0.000000 20.83062       135.2596 ?        ?        52.55230 23.01315 0.000000       23.01315 
1 1 1 -19 32 27 o 51.54739 23.32924 -16.78357      151.3099 0.000000       0.000000 -16.78357      151.3099 ?        ?        51.54739 23.32924 0.000000       23.32924 
1 1 1 -19 32 28 o 85.18366 27.46538 285.0588       156.0607 0.000000       0.000000 285.0588       156.0607 ?        ?        85.18366 27.46538 0.000000       27.46538 
1 1 1 -19 32 29 o 91.61002 29.48332 346.2129       179.8903 0.000000       0.000000 346.2129       179.8903 ?        ?        91.61002 29.48332 0.000000       29.48332 
1 1 1 -19 32 30 o 97.01112 29.24589 387.8359       180.1418 0.000000       0.000000 387.8359       180.1418 ?        ?        97.01112 29.24589 0.000000       29.24589 
1 1 1 -19 33 1  o 222.9146 11.60106 1496.482       151.1435 1336.623       425.7318 1519.536       161.6753 186.1635 40.17346 224.2437 12.34100 -38.08023      42.02627 
1 1 1 -19 33 2  o 133.2416 36.00409 667.0201       287.9679 0.000000       0.000000 667.0201       287.9679 ?        ?        133.2416 36.00409 0.000000       36.00409 
1 1 1 -19 33 3  o 130.4033 18.62630 538.8184       138.4083 0.000000       0.000000 538.8184       138.4083 ?        ?        130.4033 18.62630 0.000000       18.62630 
1 1 1 -19 33 4  o 70.83121 25.42696 151.7672       134.3448 0.000000       0.000000 151.7672       134.3448 ?        ?        70.83121 25.42696 0.000000       25.42696 
1 1 1 -19 33 5  o 47.53654 21.63974 -57.40803      132.5320 0.000000       0.000000 -57.40803      132.5320 ?        ?        47.53654 21.63974 0.000000       21.63974 
1 1 1 -19 33 6  o 132.5286 16.47215 548.5741       125.2745 1603.274       474.0179 469.3769       129.8928 201.6878 41.46043 121.3176 18.86939 80.37028       45.55240 
1 1 1 -19 33 7  o 68.65997 23.76271 146.5022       116.5256 395.1230       470.4724 130.2541       120.2730 105.6883 44.52111 66.41385 24.03017 39.27446       50.59227 
1 1 1 -19 33 8  o 97.37072 22.14897 314.9760       123.6202 0.000000       0.000000 314.9760       123.6202 ?        ?        97.37072 22.14897 0.000000       22.14897 
1 1 1 -19 33 9  o 77.59369 23.59792 200.5443       116.9242 30.28269       488.9632 210.8707       120.4177 88.72455 40.82761 79.36396 23.90807 9.360588       47.31268 
1 1 1 -19 33 10 f 137.4644 16.03076 589.8339       126.8165 0.000000       0.000000 589.8339       126.8165 ?        ?        137.4644 16.03076 0.000000       16.03076 
1 1 1 -19 33 11 o 69.48784 23.83445 153.3508       117.1401 0.000000       0.000000 153.3508       117.1401 ?        ?        69.48784 23.83445 0.000000       23.83445 
1 1 1 -19 33 12 o 103.8539 20.66542 354.9545       121.4397 0.000000       0.000000 354.9545       121.4397 ?        ?        103.8539 20.66542 0.000000       20.66542 
1 1 1 -19 33 13 o 125.8193 16.37005 498.8923       117.9333 0.000000       0.000000 498.8923       117.9333 ?        ?        125.8193 16.37005 0.000000       16.37005 
1 1 1 -19 33 14 o 75.94141 24.11593 194.8974       120.6628 0.000000       0.000000 194.8974       120.6628 ?        ?        75.94141 24.11593 0.000000       24.11593 
1 1 1 -19 33 15 o 73.68693 24.00631 182.8311       119.0458 0.000000       0.000000 182.8311       119.0458 ?        ?        73.68693 24.00631 0.000000       24.00631 
1 1 1 -19 33 16 o 95.39066 21.65294 308.2610       118.3551 0.000000       0.000000 308.2610       118.3551 ?        ?        95.39066 21.65294 0.000000       21.65294 
1 1 1 -19 33 17 o 61.12873 23.45759 103.7302       117.9703 0.000000       0.000000 103.7302       117.9703 ?        ?        61.12873 23.45759 0.000000       23.45759 
1 1 1 -19 33 18 o 61.99718 23.63753 109.9779       119.2777 0.000000       0.000000 109.9779       119.2777 ?        ?        61.99718 23.63753 0.000000       23.63753 
1 1 1 -19 33 19 o 110.9513 19.11594 406.1239       119.8989 0.000000       0.000000 406.1239       119.8989 ?        ?        110.9513 19.11594 0.000000       19.11594 
1 1 1 -19 33 20 o 77.88181 24.68033 214.5573       126.4339 0.000000       0.000000 214.5573       126.4339 ?        ?        77.88181 24.68033 0.000000       24.68033 
1 1 1 -19 33 21 o 104.6436 21.53531 375.9666       127.7550 0.000000       0.000000 375.9666       127.7550 ?        ?        104.6436 21.53531 0.000000       21.53531 
1 1 1 -19 33 22 o 125.6054 19.09651 524.0754       136.2492 0.000000       0.000000 524.0754       136.2492 ?        ?        125.6054 19.09651 0.000000       19.09651 
1 1 1 -19 33 23 o 113.5631 21.79865 446.9113       139.9059 0.000000       0.000000 446.9113       139.9059 ?        ?        113.5631 21.79865 0.000000       21.79865 
1 1 1 -19 33 24 o 149.2445 17.12591 725.6608       147.1876 0.000000       0.000000 725.6608       147.1876 ?        ?        149.2445 17.12591 0.000000       17.12591 
1 1 1 -19 33 25 o 153.4300 17.00109 767.2846       150.4169 0.000000       0.000000 767.2846       150.4169 ?        ?        153.4300 17.00109 0.000000       17.00109 
1 1 1 -19 33 26 o 61.18604 25.11640 99.56914       144.2841 0.000000       0.000000 99.56914       144.2841 ?        ?        61.18604 25.11640 0.000000       25.11640 
1 1 1 -19 33 27 o 61.61681 25.46411 101.6503       149.6293 0.000000       0.000000 101.6503       149.6293 ?        ?        61.61681 25.46411 0.000000       25.46411 
1 1 1 -19 33 28 o 93.35448 28.10873 349.4718       166.4799 0.000000       0.000000 349.4718       166.4799 ?        ?        93.35448 28.10873 0.000000       28.10873 
1 1 1 -19 33 29 o 61.49403 26.70142 78.88823       178.8160 0.000000       0.000000 78.88823       178.8160 ?        ?        61.49403 26.70142 0.000000       26.70142 
1 1 1 -19 34 1  o 108.2973 23.90864 394.7437       147.7854 -230.3136      436.9464 475.4833       157.0405 75.98862 36.10496 119.5327 23.23853 -43.54408      42.93713 
1 1 1 -19 34 2  o 252.4889 10.72855 1915.829       158.5049 2094.088       464.2805 1892.312       168.6369 240.1579 33.90565 250.4748 11.51067 -10.31688      35.80627 
1 1 1 -19 34 3  f 55.44819 23.54640 30.70503       133.3603 0.000000       0.000000 30.70503       133.3603 ?        ?        55.44819 23.54640 0.000000       23.54640 
1 1 1 -19 34 4  o 81.06926 26.34080 221.4667       143.3759 0.000000       0.000000 221.4667       143.3759 ?        ?        81.06926 26.34080 0.000000       26.34080 
1 1 1 -19 34 5  o 98.43022 23.47207 327.0429       133.5847 616.2673       415.3057 293.6661       141.0822 119.0850 44.38774 92.45927 25.29184 26.62569       51.08765 
1 1 1 -19 34 6  o 102.0937 21.68223 345.6514       125.8096 1130.705       453.2834 280.1272       130.9547 159.6247 45.94564 90.66774 24.18312 68.95697       51.92134 
1 1 1 -19 34 7  o 76.98618 23.81817 198.4776       118.4773 148.8695       452.5563 202.1277       122.7587 90.79087 40.78344 77.61195 24.28189 13.17892       47.46471 
1 1 1 -19 34 8  o 55.46212 22.65660 56.28621       116.6947 411.3250       432.3547 28.38987       121.1925 103.5134 43.07611 52.96084 22.46655 50.55258       48.58289 
1 1 1 -19 34 9  o 51.64212 22.00463 23.27207       117.1543 0.000000       0.000000 23.27207       117.1543 ?        ?        51.64212 22.00463 0.000000       22.00463 
1 1 1 -19 34 10 o 42.21422 19.43941 -63.37540      111.1316 -411.1507      441.6564 -39.86762      114.8262 69.56625 33.85455 44.96280 20.33865 24.60345       39.49419 
1 1 1 -19 34 11 o 111.0006 20.10067 404.7693       126.0374 0.000000       0.000000 404.7693       126.0374 ?        ?        111.0006 20.10067 0.000000       20.10067 
1 1 1 -19 34 12 o 137.9936 15.27146 596.3835       121.5260 0.000000       0.000000 596.3835       121.5260 ?        ?        137.9936 15.27146 0.000000       15.27146 
1 1 1 -19 34 13 o 53.72707 23.92145 -11.38878      152.0555 0.000000       0.000000 -11.38878      152.0555 ?        ?        53.72707 23.92145 0.000000       23.92145 
1 1 1 -19 34 14 o 63.23347 24.02692 115.0872       122.9779 0.000000       0.000000 115.0872       122.9779 ?        ?        63.23347 24.02692 0.000000       24.02692 
1 1 1 -19 34 15 o 65.22198 23.97416 131.2251       120.3986 0.000000       0.000000 131.2251       120.3986 ?        ?        65.22198 23.97416 0.000000       23.97416 
1 1 1 -19 34 16 o 91.56546 23.04641 291.5642       123.6515 0.000000       0.000000 291.5642       123.6515 ?        ?        91.56546 23.04641 0.000000       23.04641 
1 1 1 -19 34 17 o 114.2358 20.30283 436.1318       131.0380 0.000000       0.000000 436.1318       131.0380 ?        ?        114.2358 20.30283 0.000000       20.30283 
1 1 1 -19 34 18 o 81.41616 24.82004 236.9098       129.2448 0.000000       0.000000 236.9098       129.2448 ?        ?        81.41616 24.82004 0.000000       24.82004 
1 1 1 -19 34 19 o 156.0098 15.19917 770.1426       137.3052 0.000000       0.000000 770.1426       137.3052 ?        ?        156.0098 15.19917 0.000000       15.19917 
1 1 1 -19 34 20 o 54.93221 22.98352 55.30315       124.0683 0.000000       0.000000 55.30315       124.0683 ?        ?        54.93221 22.98352 0.000000       22.98352 
1 1 1 -19 34 21 o 72.27506 26.17503 183.3372       142.7439 0.000000       0.000000 183.3372       142.7439 ?        ?        72.27506 26.17503 0.000000       26.17503 
1 1 1 -19 34 22 o 95.00565 24.82974 331.6812       139.8621 0.000000       0.000000 331.6812       139.8621 ?        ?        95.00565 24.82974 0.000000       24.82974 
1 1 1 -19 34 23 o 161.9530 15.86494 842.8422       148.7567 0.000000       0.000000 842.8422       148.7567 ?        ?        161.9530 15.86494 0.000000       15.86494 
1 1 1 -19 34 24 o 95.37475 25.63577 342.5398       146.4613 0.000000       0.000000 342.5398       146.4613 ?        ?        95.37475 25.63577 0.000000       25.63577 
1 1 1 -19 34 25 o 43.69428 20.73186 -112.1823      143.0852 0.000000       0.000000 -112.1823      143.0852 ?        ?        43.69428 20.73186 0.000000       20.73186 
1 1 1 -19 34 26 o 63.78005 25.71419 123.2970       148.0410 0.000000       0.000000 123.2970       148.0410 ?        ?        63.78005 25.71419 0.000000       25.71419 
1 1 1 -19 34 27 o 78.27472 27.95737 240.5263       162.1970 0.000000       0.000000 240.5263       162.1970 ?        ?        78.27472 27.95737 0.000000       27.95737 
1 1 1 -19 35 1  o 102.3817 26.56747 368.6594       160.8825 303.4908       431.2920 379.1931       173.3981 96.66562 41.72071 103.0175 27.98148 -6.351845      50.23525 
1 1 1 -19 35 2  o 168.5814 15.32952 883.7123       149.9056 1214.185       434.6972 839.1072       159.7021 167.1178 43.82157 163.2392 16.92691 3.878571       46.97712 
1 1 1 -19 35 3  o 67.56852 25.15333 135.5959       133.2796 433.4019       418.3009 101.9467       140.6078 103.8418 42.71074 63.92643 25.29689 39.91539       49.64011 
1 1 1 -19 35 4  o 142.5968 18.27646 649.9482       149.3359 1896.724       427.3456 476.5195       159.3843 226.5667 33.14142 118.4939 23.76273 108.0727       40.78015 
1 1 1 -19 35 5  o 146.4764 16.43828 675.5417       138.7791 996.6581       403.0365 632.3469       147.8186 149.9177 43.37693 140.4953 18.38009 9.422470       47.11036 
1 1 1 -19 35 6  o 95.87469 23.54751 315.4453       131.4250 881.5540       395.6079 245.2168       139.3388 139.3777 43.58783 83.87543 25.80930 55.50224       50.65589 
1 1 1 -19 35 7  o 49.16634 22.15681 -33.89634      134.7916 0.000000       0.000000 -33.89634      134.7916 ?        ?        49.16634 22.15681 0.000000       22.15681 
1 1 1 -19 35 8  f 52.59737 22.63968 20.63527       126.3387 11.50320       409.6423 21.59521       132.8130 80.17429 37.06318 53.73882 23.17247 26.43547       43.71089 
1 1 1 -19 35 9  o 50.80904 21.98616 13.56848       120.3932 -465.2694      426.1205 55.10759       125.5067 65.98498 32.35459 56.10516 23.26620 9.879818       39.85142 
1 1 1 -19 35 10 o 138.0665 16.67814 605.6697       132.3142 0.000000       0.000000 605.6697       132.3142 ?        ?        138.0665 16.67814 0.000000       16.67814 
1 1 1 -19 35 11 o 46.16696 20.72021 -26.43844      116.5318 84.36897       469.7944 -33.70319      120.2911 85.29175 39.52058 46.26085 20.88166 39.03090       44.69810 
1 1 1 -19 35 12 o 99.43410 22.56882 339.3101       128.5886 0.000000       0.000000 339.3101       128.5886 ?        ?        99.43410 22.56882 0.000000       22.56882 
1 1 1 -19 35 13 f 116.6473 18.67451 444.8164       123.4461 0.000000       0.000000 444.8164       123.4461 ?        ?        116.6473 18.67451 0.000000       18.67451 
1 1 1 -19 35 14 o 105.6734 21.74451 380.5818       130.2643 0.000000       0.000000 380.5818       130.2643 ?        ?        105.6734 21.74451 0.000000       21.74451 
1 1 1 -19 35 15 o 92.85143 23.59548 303.6526       128.7347 0.000000       0.000000 303.6526       128.7347 ?        ?        92.85143 23.59548 0.000000       23.59548 
1 1 1 -19 35 16 o 50.66488 22.36017 1.816943       129.9966 0.000000       0.000000 1.816943       129.9966 ?        ?        50.66488 22.36017 0.000000       22.36017 
1 1 1 -19 35 17 o 134.2197 18.97075 594.8514       145.1732 0.000000       0.000000 594.8514       145.1732 ?        ?        134.2197 18.97075 0.000000       18.97075 
1 1 1 -19 35 18 o 82.67241 25.84448 251.1866       139.0954 0.000000       0.000000 251.1866       139.0954 ?        ?        82.67241 25.84448 0.000000       25.84448 
1 1 1 -19 35 19 o 70.48392 26.22328 169.7608       144.8188 0.000000       0.000000 169.7608       144.8188 ?        ?        70.48392 26.22328 0.000000       26.22328 
1 1 1 -19 35 20 o 163.9447 16.29520 865.7037       154.6060 0.000000       0.000000 865.7037       154.6060 ?        ?        163.9447 16.29520 0.000000       16.29520 
1 1 1 -19 35 21 o 138.1359 19.68007 642.4395       154.9311 0.000000       0.000000 642.4395       154.9311 ?        ?        138.1359 19.68007 0.000000       19.68007 
1 1 1 -19 35 22 o 160.1539 17.60572 842.8806       162.6405 0.000000       0.000000 842.8806       162.6405 ?        ?        160.1539 17.60572 0.000000       17.60572 
1 1 1 -19 35 23 o 80.07056 27.21769 247.5307       152.6898 0.000000       0.000000 247.5307       152.6898 ?        ?        80.07056 27.21769 0.000000       27.21769 
1 1 1 -19 35 24 o 53.41939 24.01976 1.096175       157.4120 0.000000       0.000000 1.096175       157.4120 ?        ?        53.41939 24.01976 0.000000       24.01976 
1 1 1 -19 35 25 o 59.27278 25.48404 69.46718       159.7321 0.000000       0.000000 69.46718       159.7321 ?        ?        59.27278 25.48404 0.000000       25.48404 
1 1 1 -19 35 26 o 80.22751 28.27586 258.5807       165.4293 0.000000       0.000000 258.5807       165.4293 ?        ?        80.22751 28.27586 0.000000       28.27586 
1 1 1 -19 36 1  o 156.1429 27.72968 864.7767       244.6301 955.5730       426.3719 820.2203       298.6820 140.9989 45.39183 143.6225 35.63161 -2.623627      57.70641 
1 1 1 -19 36 2  o 178.9728 14.31991 993.1450       149.0535 1309.659       407.9720 944.3878       160.1228 176.5886 40.28637 173.4032 15.92272 3.185364       43.31887 
1 1 1 -19 36 3  o 134.4101 18.66935 584.3671       143.1998 1408.308       418.1025 474.8694       152.4183 183.8280 39.92654 118.3265 22.79033 65.50150       45.97313 
1 1 1 -19 36 4  o 202.3173 13.59938 1261.871       160.4252 2660.301       440.7587 1048.319       172.2393 274.7672 27.73082 182.4214 16.26984 92.34586       32.15130 
1 1 1 -19 36 5  o 126.6272 19.29586 523.3568       138.7761 1394.506       412.8833 412.4059       147.3487 182.9180 39.63475 109.4043 23.65481 73.51369       46.15695 
1 1 1 -19 36 6  o 136.3532 20.28093 612.0801       157.2522 0.000000       0.000000 612.0801       157.2522 ?        ?        136.3532 20.28093 0.000000       20.28093 
1 1 1 -19 36 7  o 89.63202 25.23046 284.8637       138.2094 389.6205       394.2754 270.1881       147.5732 97.74635 40.93955 86.81528 26.53251 10.93107       48.78546 
1 1 1 -19 36 8  o 65.65279 25.22064 125.5734       136.4700 -157.2165      402.0085 162.4068       145.0856 72.33147 34.44225 71.05232 26.28235 1.279144       43.32471 
1 1 1 -19 36 9  o 33.29054 16.53455 -270.8766      124.4233 -159.4093      411.3595 -282.1013      130.5377 72.67846 34.67244 34.10702 16.93938 38.57144       38.58913 
1 1 1 -19 36 10 o 46.35045 21.24126 -54.24740      130.5009 -169.6991      427.0808 -42.35753      137.0561 73.14410 35.01253 48.44529 22.03494 24.69882       41.36926 
1 1 1 -19 36 11 o 57.30984 23.75305 63.84171       130.7166 122.1125       452.6268 58.53954       136.5342 84.48080 39.02042 57.48560 24.08521 26.99520       45.85510 
1 1 1 -19 36 12 o 85.27688 24.19020 258.5304       126.5473 198.2041       453.0234 263.6361       131.7937 86.98006 39.75345 85.80323 24.79827 1.176826       46.85393 
1 1 1 -19 36 13 o 108.3197 27.79339 438.0484       177.4228 -346.1316      452.8995 580.2115       192.8357 68.97018 33.72090 126.1653 26.88437 -57.19511      43.12619 
1 1 1 -19 36 14 o 136.5412 17.35571 604.2135       135.8452 0.000000       0.000000 604.2135       135.8452 ?        ?        136.5412 17.35571 0.000000       17.35571 
1 1 1 -19 36 15 o 127.4820 18.31616 534.1649       133.0142 0.000000       0.000000 534.1649       133.0142 ?        ?        127.4820 18.31616 0.000000       18.31616 
1 1 1 -19 36 16 o 90.26291 24.80331 297.3327       135.3326 0.000000       0.000000 297.3327       135.3326 ?        ?        90.26291 24.80331 0.000000       24.80331 
1 1 1 -19 36 17 o 72.91954 26.01924 188.9573       140.4538 0.000000       0.000000 188.9573       140.4538 ?        ?        72.91954 26.01924 0.000000       26.01924 
1 1 1 -19 36 18 o 63.10226 25.60837 109.0556       147.9144 0.000000       0.000000 109.0556       147.9144 ?        ?        63.10226 25.60837 0.000000       25.60837 
1 1 1 -19 36 19 o 72.68071 26.72684 188.5087       149.6590 0.000000       0.000000 188.5087       149.6590 ?        ?        72.68071 26.72684 0.000000       26.72684 
1 1 1 -19 36 20 o 68.26462 26.93424 152.3470       158.9719 0.000000       0.000000 152.3470       158.9719 ?        ?        68.26462 26.93424 0.000000       26.93424 
1 1 1 -19 36 21 o 71.68146 27.67791 182.7355       164.9555 0.000000       0.000000 182.7355       164.9555 ?        ?        71.68146 27.67791 0.000000       27.67791 
1 1 1 -19 36 22 o 65.59666 27.02252 126.9312       167.7866 0.000000       0.000000 126.9312       167.7866 ?        ?        65.59666 27.02252 0.000000       27.02252 
1 1 1 -19 36 23 o 72.97273 28.24288 195.5028       172.0562 0.000000       0.000000 195.5028       172.0562 ?        ?        72.97273 28.24288 0.000000       28.24288 
1 1 1 -19 36 24 f 136.9395 24.22615 686.1013       187.4473 0.000000       0.000000 686.1013       187.4473 ?        ?        136.9395 24.22615 0.000000       24.22615 
1 1 1 -19 37 1  o 134.1776 20.20182 595.0447       154.0459 685.9575       418.3116 580.7816       165.6898 116.7582 44.32536 130.9257 22.38203 -14.16752      49.65574 
1 1 1 -19 37 2  o 114.8465 23.61744 456.3828       153.7597 -33.30354      399.9478 541.3116       166.5605 76.37740 35.74714 125.4276 23.50618 -49.05023      42.78316 
1 1 1 -19 37 3  o 78.93548 27.39632 219.6073       154.9353 732.8320       401.9721 130.0578       167.9090 121.2170 43.92100 68.55277 27.47308 52.66424       51.80564 
1 1 1 -19 37 4  o 87.07530 27.06089 275.8947       152.7387 471.1089       413.7230 245.0895       164.3487 101.6265 42.20143 82.38622 28.23244 19.24030       50.77432 
1 1 1 -19 37 5  o 103.9895 24.43765 381.3095       146.5002 1142.139       405.7332 267.2449       157.0985 157.2163 42.84389 85.54840 27.55417 71.66791       50.93950 
1 1 1 -19 37 6  o 112.1774 21.61827 427.2419       137.0682 1672.781       440.7716 293.8978       144.2188 198.8754 39.18474 90.12387 25.90849 108.7515       46.97546 
1 1 1 -19 37 7  o 90.25502 25.08700 292.6196       137.5650 1521.936       436.0899 156.7730       144.9668 185.6954 41.12781 69.80183 26.18279 115.8936       48.75485 
1 1 1 -19 37 8  o 93.44753 25.55663 316.3964       144.0698 680.1291       408.9636 264.8611       153.9381 114.4609 43.73746 84.86575 27.27012 29.59518       51.54246 
1 1 1 -19 37 9  o 56.01852 23.47204 55.63322       129.6833 182.1713       414.6247 41.91211       136.5335 84.51568 38.39595 55.51364 23.70759 29.00204       45.12537 
1 1 1 -19 37 10 o 189.4866 16.64107 1148.490       183.0548 367.5009       426.5396 1324.807       202.6675 93.27596 40.85612 203.0421 17.18065 -109.7661      44.32152 
1 1 1 -19 37 11 o 122.8434 20.78555 510.2423       144.4134 -52.22453      444.6790 576.5591       152.6897 76.25740 36.28688 130.8864 20.56908 -54.62901      41.71121 
1 1 1 -19 37 12 o 52.08919 23.12626 0.6412717      141.0928 -945.6191      456.4199 100.6211       148.3595 57.08431 28.81022 62.72186 25.57498 -5.637543      38.52413 
1 1 1 -19 37 13 o 104.1218 24.85509 393.1949       149.6682 0.000000       0.000000 393.1949       149.6682 ?        ?        104.1218 24.85509 0.000000       24.85509 
1 1 1 -19 37 14 o 122.4150 19.84534 504.7008       137.6025 -9.527843      480.0899 550.7256       143.6284 77.94492 37.25946 128.0241 19.76492 -50.07918      42.17724 
1 1 1 -19 37 15 o 177.0157 14.54495 989.8395       149.6684 0.000000       0.000000 989.8395       149.6684 ?        ?        177.0157 14.54495 0.000000       14.54495 
1 1 1 -19 37 16 o 47.58342 22.12484 -71.89214      149.2057 0.000000       0.000000 -71.89214      149.2057 ?        ?        47.58342 22.12484 0.000000       22.12484 
1 1 1 -19 37 17 o 97.91491 26.51409 363.8824       155.9719 0.000000       0.000000 363.8824       155.9719 ?        ?        97.91491 26.51409 0.000000       26.51409 
1 1 1 -19 37 18 o 67.86837 26.80037 150.1580       157.5147 0.000000       0.000000 150.1580       157.5147 ?        ?        67.86837 26.80037 0.000000       26.80037 
1 1 1 -19 37 19 o 45.57251 21.71399 -130.2718      160.2971 0.000000       0.000000 -130.2718      160.2971 ?        ?        45.57251 21.71399 0.000000       21.71399 
1 1 1 -19 37 20 o 85.87972 32.27990 315.2295       220.5860 0.000000       0.000000 315.2295       220.5860 ?        ?        85.87972 32.27990 0.000000       32.27990 
1 1 1 -19 37 21 o 42.86399 20.99269 -247.6921      177.7682 0.000000       0.000000 -247.6921      177.7682 ?        ?        42.86399 20.99269 0.000000       20.99269 
1 1 1 -19 37 22 o 53.02936 24.66027 -54.39456      185.4564 0.000000       0.000000 -54.39456      185.4564 ?        ?        53.02936 24.66027 0.000000       24.66027 
1 1 1 -19 38 1  o 179.3548 15.84247 1020.240       164.9311 500.3148       384.8253 1137.233       182.5468 102.0636 41.34726 188.6716 16.66874 -86.60801      44.58074 
1 1 1 -19 38 2  f 126.4231 22.66297 550.2900       161.8602 432.5004       394.2053 574.1750       177.5140 97.35984 40.86714 127.5321 24.62526 -30.17226      47.71296 
1 1 1 -19 38 3  o 176.8954 16.11690 995.8566       165.3704 869.9115       406.7577 1020.796       181.0047 129.1228 44.40967 177.8085 17.58763 -48.68578      47.76551 
1 1 1 -19 38 4  o 147.8800 18.51294 715.4476       157.0508 653.6523       385.5753 727.7391       171.9621 112.9192 42.62639 147.5805 20.41403 -34.66129      47.26248 
1 1 1 -19 38 5  o 146.4850 23.10755 741.1871       191.9441 0.000000       0.000000 741.1871       191.9441 ?        ?        146.4850 23.10755 0.000000       23.10755 
1 1 1 -19 38 6  o 92.18053 26.38980 314.3879       149.9255 6.555095       389.3741 367.9705       162.4506 75.42081 35.29036 99.25901 27.13474 -23.83820      44.51633 
1 1 1 -19 38 7  o 78.48007 27.15742 224.3280       152.1947 0.000000       0.000000 224.3280       152.1947 ?        ?        78.48007 27.15742 0.000000       27.15742 
1 1 1 -19 38 8  o 54.58331 23.62792 32.01963       139.1457 17.54032       388.8592 34.14585       149.0123 75.30608 35.24650 56.10598 24.36826 19.20010       42.85006 
1 1 1 -19 38 9  o 65.98142 25.90834 131.9276       146.4715 -215.7192      405.2397 184.1698       157.0919 68.24043 33.02572 72.91781 27.27551 -4.677376      42.83283 
1 1 1 -19 38 10 o 86.55554 25.90704 278.3343       141.7341 379.7553       430.0141 265.9732       150.1231 91.96908 40.62500 84.15170 26.91904 7.817383       48.73423 
1 1 1 -19 38 11 o 69.27853 26.19828 160.3541       145.7930 125.8279       445.0907 164.5038       154.3059 81.10159 37.87723 70.16723 26.85263 10.93436       46.43003 
1 1 1 -19 38 12 o 81.82735 26.71662 251.1999       147.4035 178.3832       463.0363 259.4114       155.4928 83.27328 38.80567 82.71242 27.46096 0.5608597      47.53929 
1 1 1 -19 38 13 o 43.22797 20.46574 -110.7746      137.9722 -17.21789      458.0613 -120.1096      144.6920 76.22816 36.42677 43.87333 20.82584 32.35483       41.95980 
1 1 1 -19 38 14 o 153.0285 17.40862 766.4442       153.4639 229.4165       439.1797 841.1375       163.7890 83.73664 38.59059 160.0527 17.74693 -76.31606      42.47572 
1 1 1 -19 38 15 o 67.16286 25.92711 148.9254       144.7220 -324.1996      431.6701 208.8387       153.6123 65.69095 32.28185 75.10014 27.15941 -9.409187      42.18710 
1 1 1 -19 38 16 o 61.57159 25.62730 95.96282       153.0708 0.1344659E-01  416.5722 110.9404       164.5848 73.57029 35.04014 64.01973 26.60394 9.550560       43.99524 
1 1 1 -19 38 17 o 136.1349 25.53493 684.7411       196.3836 0.000000       0.000000 684.7411       196.3836 ?        ?        136.1349 25.53493 0.000000       25.53493 
1 1 1 -19 38 18 o 88.19489 30.49789 324.2581       191.9248 0.000000       0.000000 324.2581       191.9248 ?        ?        88.19489 30.49789 0.000000       30.49789 
1 1 1 -19 38 19 o 64.77962 26.75983 121.7804       165.1492 0.000000       0.000000 121.7804       165.1492 ?        ?        64.77962 26.75983 0.000000       26.75983 
1 1 1 -19 38 20 f 136.7760 23.01593 671.8160       178.0755 0.000000       0.000000 671.8160       178.0755 ?        ?        136.7760 23.01593 0.000000       23.01593 
1 1 1 -19 39 1  o 97.65336 31.66760 387.8466       207.2849 -473.0326      390.8976 724.6226       244.4908 60.61866 29.96495 135.5348 31.37805 -74.91618      43.38755 
1 1 1 -19 39 2  o 65.02797 26.76413 110.2194       164.3983 -175.2976      406.1452 166.1665       179.7852 69.60749 33.53230 71.85114 28.54967 -2.243652      44.03974 
1 1 1 -19 39 3  o 109.0223 26.88286 443.3193       170.7867 -351.9288      402.8831 617.5322       188.5679 64.39584 31.55152 130.7850 25.50081 -66.38916      40.56834 
1 1 1 -19 39 4  o 50.37597 23.32718 -66.59428      163.2855 -1.995407      396.6473 -79.77546      179.1716 74.67593 35.15498 51.88928 24.16672 22.78664       42.66032 
1 1 1 -19 39 5  o 71.92626 27.18536 176.9688       156.9387 314.3994       391.9841 150.7339       171.2643 88.42873 38.93512 69.58759 27.79400 18.84113       47.83775 
1 1 1 -19 39 6  o 59.19539 25.37155 59.04999       157.4041 -319.3426      382.6693 136.1098       172.6897 63.49391 31.03336 68.07542 27.65405 -4.581512      41.56701 
1 1 1 -19 39 7  o 93.73945 26.83267 332.2225       155.0094 465.6973       410.7286 310.0540       167.3877 96.33659 41.12971 89.46189 28.40332 6.874695       49.98402 
1 1 1 -19 39 8  o 63.90888 26.01995 111.5693       153.2906 442.9969       407.4008 56.90875       165.4491 94.80947 40.72998 59.76408 25.81739 35.04539       48.22312 
1 1 1 -19 39 9  o 86.04023 27.09914 282.1143       152.6441 523.3937       411.9632 243.7172       164.3418 98.97301 41.67479 80.15584 28.18843 18.81718       50.31278 
1 1 1 -19 39 10 f 129.7165 20.56218 573.9622       151.2168 293.1654       392.6081 622.8737       163.8584 85.91303 38.33308 134.3479 21.52271 -48.43482      43.96194 
1 1 1 -19 39 11 o 56.06968 24.20161 45.71059       145.1538 -167.6997      364.9331 85.81950       158.2071 65.76431 31.70717 61.31247 25.82201 4.451836       40.89157 
1 1 1 -19 39 12 o 61.47408 25.00531 103.2027       141.4120 -120.6706      328.2759 154.2109       156.6960 64.47886 30.81907 68.32570 26.80679 -3.846840      40.84628 
1 1 1 -19 39 13 o 103.3515 23.98333 389.8116       142.5586 160.2166       309.6960 451.5411       160.5834 75.78837 33.91437 110.1923 25.37305 -34.40397      42.35535 
1 1 1 -19 39 14 o 117.9314 22.14882 490.5447       147.5663 281.4040       322.7046 545.8395       165.9311 83.02942 35.96206 122.8999 23.88175 -39.87050      43.16952 
1 1 1 -19 39 15 o 133.3426 20.66504 612.3516       156.3800 101.3696       333.8057 756.0297       177.0053 73.45965 33.77787 148.0178 20.97720 -74.55814      39.76163 
1 1 1 -19 39 16 o 48.68682 23.21233 -135.5681      183.7724 0.000000       0.000000 -135.5681      183.7724 ?        ?        48.68682 23.21233 0.000000       23.21233 
1 1 1 -19 39 17 o 120.6952 25.06722 541.9377       171.6306 503.3402       371.0362 552.4446       193.5868 95.11856 39.76808 118.2706 28.29024 -23.15205      48.80408 
1 1 1 -19 40 1  o 95.77235 28.47262 358.6431       171.6450 -43.83410      424.4838 437.3151       187.6724 73.80882 35.21433 105.2129 29.32320 -31.40405      45.82465 
1 1 1 -19 40 2  o 76.17095 28.27796 213.0963       168.2307 582.4478       417.7601 141.6075       183.7917 102.2010 42.42053 68.95499 28.33090 33.24597       51.01119 
1 1 1 -19 40 3  o 78.97760 28.45343 236.0153       168.4027 755.8350       397.6481 122.4110       185.8960 115.5409 43.35903 67.23514 28.13235 48.30572       51.68592 
1 1 1 -19 40 4  o 69.48727 27.78408 155.0428       171.3301 -379.2313      400.7606 274.5283       189.5224 62.69345 30.86685 83.33515 30.16329 -20.64170      43.15769 
1 1 1 -19 40 5  o 72.96886 27.43437 189.9913       159.3554 202.6881       375.4785 187.2020       175.9916 80.95546 36.68329 73.09041 28.48704 7.865051       46.44540 
1 1 1 -19 40 6  f 64.09214 26.27866 113.8267       157.7121 -776.3303      382.7568 295.8627       173.0885 53.01299 26.70872 86.40501 28.97934 -33.39202      39.41013 
1 1 1 -19 40 7  o 55.83644 24.62963 26.49515       157.5282 93.73050       357.9460 10.34520       175.4302 74.96896 34.65289 56.73860 25.44716 18.23036       42.99280 
1 1 1 -19 40 8  o 115.7604 25.07659 492.8885       165.3145 394.2722       370.5418 517.3953       184.7168 90.53793 38.86856 116.1661 27.53549 -25.62814      47.63369 
1 1 1 -19 40 9  o 95.66014 26.82319 352.1759       156.5272 421.0478       351.0053 335.0803       174.8784 92.30730 38.64233 91.34716 29.03545 0.9601364      48.33516 
1 1 1 -19 40 10 o 128.4466 20.70747 567.7675       150.6881 28.22794       323.7419 716.9877       170.2555 69.90067 32.53161 144.5917 20.66441 -74.69106      38.53989 
1 1 1 -19 40 11 o 58.34503 24.72851 70.39326       146.6039 -274.3174      286.9562 192.1456       170.5402 55.44567 27.05052 72.95894 28.15016 -17.51327      39.04052 
1 1 1 -19 40 12 o 42.29277 20.11536 -116.3615      136.3215 -321.5278      275.5629 -49.88143      156.8604 52.74554 25.89450 49.80727 22.99302 2.938267       34.62953 
1 1 1 -19 40 13 o 69.37954 25.71782 171.3100       139.0515 354.2384       243.7453 83.05409       169.3041 88.89895 33.81505 61.50468 26.33621 27.39427       42.86087 
1 1 1 -19 40 14 o 71.97373 26.37510 191.5635       145.5441 -137.8949      239.1542 385.3605       183.4220 55.11730 26.33373 96.47695 29.59816 -41.35965      39.61713 
1 1 1 -19 41 1  o 84.44463 28.45196 279.6605       166.8348 130.2191       407.8041 309.6996       182.8353 78.52598 36.53428 87.65218 29.78369 -9.126198      47.13621 
1 1 1 -19 41 2  o 47.56189 22.75561 -153.4255      179.9175 254.7197       381.8048 -269.9269      203.9856 83.20152 37.41005 46.11670 22.56505 37.08482       43.68859 
1 1 1 -19 41 3  o 88.76190 29.51549 317.5381       179.6136 257.7822       398.9357 332.7308       201.1549 83.56593 37.84443 89.45183 31.20605 -5.885902      49.05118 
1 1 1 -19 41 4  o 40.23751 19.87081 -293.0316      170.4236 -68.34668      394.0281 -344.7357      189.0180 70.49831 33.71480 41.37067 20.51876 29.12764       39.46780 
1 1 1 -19 41 5  o 185.7201 16.06953 1112.969       173.3097 1481.357       440.4869 1045.497       188.5141 169.5377 43.94357 177.5527 18.36860 -8.015091      47.62817 
1 1 1 -19 41 6  o 63.37587 26.44752 104.8950       163.6500 55.93728       393.4823 115.1346       179.9519 74.56838 35.07638 65.58219 27.57509 8.986191       44.61768 
1 1 1 -19 41 7  o 119.6495 26.43474 540.2344       180.5455 0.000000       0.000000 540.2344       180.5455 ?        ?        119.6495 26.43474 0.000000       26.43474 
1 1 1 -19 41 8  o 74.88118 27.66659 210.7334       160.6889 636.3222       361.8849 106.2144       179.3382 106.3690 41.01561 64.49548 27.34341 41.87351       49.29444 
1 1 1 -19 41 9  o 59.59549 25.49275 73.61077       158.3390 277.7618       361.8891 25.27567       176.0885 82.59267 36.83045 57.43496 25.64622 25.15771       44.87996 
1 1 1 -18 0  1  o 925.9056 31.50007 25406.33       1706.030 25406.33       1706.030 25406.33       1706.030 925.9056 31.50007 925.9056 31.50007 -0.000000      0.000000 
1 1 1 -18 0  2  o 572.1986 16.15557 9642.090       541.1729 9642.090       541.1729 9642.090       541.1729 572.1986 16.15557 572.1986 16.15557 0.000000       0.000000 
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  o 126.9684 34.02974 566.7560       218.9461 566.7560       218.9461 566.7560       218.9461 126.9684 34.02974 126.9684 34.02974 -0.000000      0.000000 
1 1 1 -18 0  7  o 1034.655 24.29496 31599.27       1472.384 31599.27       1472.384 31599.27       1472.384 1034.655 24.29496 1034.655 24.29496 0.000000       0.000000 
1 1 1 -18 0  8  o 488.8973 14.65242 7041.187       419.2695 7041.187       419.2695 7041.187       419.2695 488.8973 14.65242 488.8973 14.65242 0.000000       0.000000 
1 1 1 -18 0  9  f 198.9611 24.11899 1216.885       270.4407 1216.885       270.4407 1216.885       270.4407 198.9611 24.11899 198.9611 24.11899 0.000000       0.000000 
1 1 1 -18 0  10 o 81.80745 36.30918 285.6924       183.9079 285.6924       183.9079 285.6924       183.9079 81.80745 36.30918 81.80745 36.30918 0.000000       0.000000 
1 1 1 -18 0  11 o 676.0469 17.06797 13469.08       675.7458 13469.08       675.7458 13469.08       675.7458 676.0469 17.06797 676.0469 17.06797 -0.000000      0.000000 
1 1 1 -18 0  12 o 203.8561 16.82075 1247.120       197.8445 1247.120       197.8445 1247.120       197.8445 203.8561 16.82075 203.8561 16.82075 -0.000000      0.000000 
1 1 1 -18 0  13 o 290.1041 13.47998 2489.301       228.2156 2489.301       228.2156 2489.301       228.2156 290.1041 13.47998 290.1041 13.47998 0.000000       0.000000 
1 1 1 -18 0  14 o 153.7932 19.01826 727.8592       164.4927 727.8592       164.4927 727.8592       164.4927 153.7932 19.01826 153.7932 19.01826 0.000000       0.000000 
1 1 1 -18 0  15 o 361.3302 12.58729 3851.217       266.0044 3851.217       266.0044 3851.217       266.0044 361.3302 12.58729 361.3302 12.58729 -0.000000      0.000000 
1 1 1 -18 0  16 o 276.6232 12.75247 2263.908       205.8824 2263.908       205.8824 2263.908       205.8824 276.6232 12.75247 276.6232 12.75247 -0.000000      0.000000 
1 1 1 -18 0  17 o 326.2990 11.74853 3141.714       224.1657 3141.714       224.1657 3141.714       224.1657 326.2990 11.74853 326.2990 11.74853 -0.000000      0.000000 
1 1 1 -18 0  18 o 184.1920 14.41800 1016.795       153.4929 1016.795       153.4929 1016.795       153.4929 184.1920 14.41800 184.1920 14.41800 -0.000000      0.000000 
1 1 1 -18 0  19 o 41.98006 26.04931 36.85779       128.1852 36.85779       128.1852 36.85779       128.1852 41.98006 26.04931 41.98006 26.04931 -0.000000      0.000000 
1 1 1 -18 0  20 o 125.3817 19.33287 495.8954       132.1169 495.8954       132.1169 495.8954       132.1169 125.3817 19.33287 125.3817 19.33287 -0.000000      0.000000 
1 1 1 -18 0  21 o 333.6124 11.88792 3286.865       231.9234 3286.865       231.9234 3286.865       231.9234 333.6124 11.88792 333.6124 11.88792 0.000000       0.000000 
1 1 1 -18 0  22 o 91.65910 27.72482 308.8228       129.9802 308.8228       129.9802 308.8228       129.9802 91.65910 27.72482 91.65910 27.72482 -0.000000      0.000000 
1 1 1 -18 0  23 o 48.32415 27.98549 87.13501       129.0742 87.13501       129.0742 87.13501       129.0742 48.32415 27.98549 48.32415 27.98549 0.000000       0.000000 
1 1 1 -18 0  24 o 564.9989 14.80954 9433.575       489.9646 9433.575       489.9646 9433.575       489.9646 564.9989 14.80954 564.9989 14.80954 -0.000000      0.000000 
1 1 1 -18 0  25 o 288.6570 12.77651 2467.956       215.3271 2467.956       215.3271 2467.956       215.3271 288.6570 12.77651 288.6570 12.77651 0.000000       0.000000 
1 1 1 -18 0  26 o 239.4049 13.76693 1705.412       191.8203 1705.412       191.8203 1705.412       191.8203 239.4049 13.76693 239.4049 13.76693 -0.000000      0.000000 
1 1 1 -18 0  27 o 161.4318 18.29603 799.5074       167.4876 799.5074       167.4876 799.5074       167.4876 161.4318 18.29603 161.4318 18.29603 -0.000000      0.000000 
1 1 1 -18 0  28 o 51.39550 29.38166 103.2591       139.5594 103.2591       139.5594 103.2591       139.5594 51.39550 29.38166 51.39550 29.38166 -0.000000      0.000000 
1 1 1 -18 0  29 o 278.0491 12.68620 2292.328       205.8892 2292.328       205.8892 2292.328       205.8892 278.0491 12.68620 278.0491 12.68620 0.000000       0.000000 
1 1 1 -18 0  30 f 44.88821 27.52644 52.92079       139.1676 52.92079       139.1676 52.92079       139.1676 44.88821 27.52644 44.88821 27.52644 0.000000       0.000000 
1 1 1 -18 0  31 o 242.6369 13.49498 1754.319       190.6665 1754.319       190.6665 1754.319       190.6665 242.6369 13.49498 242.6369 13.49498 -0.000000      0.000000 
1 1 1 -18 0  32 o 209.1451 14.12449 1310.715       171.4069 1310.715       171.4069 1310.715       171.4069 209.1451 14.12449 209.1451 14.12449 -0.000000      0.000000 
1 1 1 -18 0  33 o 232.1852 13.15416 1608.313       177.7964 1608.313       177.7964 1608.313       177.7964 232.1852 13.15416 232.1852 13.15416 0.000000       0.000000 
1 1 1 -18 0  34 o 47.90822 29.06225 71.19259       151.4817 71.19259       151.4817 71.19259       151.4817 47.90822 29.06225 47.90822 29.06225 0.000000       0.000000 
1 1 1 -18 0  35 o 168.8305 17.12506 874.9478       165.2411 874.9478       165.2411 874.9478       165.2411 168.8305 17.12506 168.8305 17.12506 0.000000       0.000000 
1 1 1 -18 0  36 o 44.57731 27.49657 54.68821       140.7749 54.68821       140.7749 54.68821       140.7749 44.57731 27.49657 44.57731 27.49657 -0.000000      0.000000 
1 1 1 -18 0  37 f 170.9464 16.03196 897.2187       157.2926 897.2187       157.2926 897.2187       157.2926 170.9464 16.03196 170.9464 16.03196 0.000000       0.000000 
1 1 1 -18 0  38 o 200.0283 14.30398 1213.888       165.7926 1213.888       165.7926 1213.888       165.7926 200.0283 14.30398 200.0283 14.30398 -0.000000      0.000000 
1 1 1 -18 0  39 o 42.74992 26.61384 49.58655       134.9004 49.58655       134.9004 49.58655       134.9004 42.74992 26.61384 42.74992 26.61384 -0.000000      0.000000 
1 1 1 -18 0  40 o 166.7296 16.05051 861.3560       153.3900 861.3560       153.3900 861.3560       153.3900 166.7296 16.05051 166.7296 16.05051 -0.000000      0.000000 
1 1 1 -18 0  41 o 45.74731 27.19975 84.23286       127.5073 84.23286       127.5073 84.23286       127.5073 45.74731 27.19975 45.74731 27.19975 -0.000000      0.000000 
1 1 1 -18 0  42 o 75.12640 30.52870 251.9563       131.8469 251.9563       131.8469 251.9563       131.8469 75.12640 30.52870 75.12640 30.52870 -0.000000      0.000000 
1 1 1 -18 0  43 o 163.6373 16.78569 842.7188       156.8775 842.7188       156.8775 842.7188       156.8775 163.6373 16.78569 163.6373 16.78569 0.000000       0.000000 
1 1 1 -18 0  44 o 31.02697 21.62148 -105.7583      141.7603 -105.7583      141.7603 -105.7583      141.7603 31.02697 21.62148 31.02697 21.62148 -0.000000      0.000000 
1 1 1 -18 0  45 o 82.67062 33.47791 317.6959       158.7129 317.6959       158.7129 317.6959       158.7129 82.67062 33.47791 82.67062 33.47791 -0.000000      0.000000 
1 1 1 -18 0  46 o 51.16977 30.79019 121.4268       167.2101 121.4268       167.2101 121.4268       167.2101 51.16977 30.79019 51.16977 30.79019 -0.000000      0.000000 
1 1 1 -18 0  47 o 47.72862 29.55701 91.74477       164.2191 91.74477       164.2191 91.74477       164.2191 47.72862 29.55701 47.72862 29.55701 0.000000       0.000000 
1 1 1 -18 1  1  o 796.2278 16.06744 18660.55       750.2993 17573.56       1238.188 19291.29       943.1901 769.4467 27.48247 808.7678 19.88497 -39.32111      33.92194 
1 1 1 -18 1  2  o 1190.982 19.61546 41828.39       1370.106 41756.90       1940.374 41899.48       1934.882 1186.575 27.88301 1188.660 27.75532 -2.085205      39.34234 
1 1 1 -18 1  3  o 885.7687 21.50987 23165.10       1117.400 23195.77       1582.434 23134.59       1578.059 882.7659 30.61168 881.6189 30.56675 1.147034       43.25970 
1 1 1 -18 1  4  o 476.7040 14.54760 6691.282       406.2395 6138.601       544.7099 7383.948       609.8040 455.6454 20.43593 499.7329 20.85245 -44.08752      29.19678 
1 1 1 -18 1  5  o 515.9834 12.29369 7825.573       372.0219 7512.880       614.0393 8006.918       467.6160 504.0419 20.81684 521.3676 15.30965 -17.32574      25.84040 
1 1 1 -18 1  6  o 386.5511 10.04728 4391.742       227.5818 4308.810       321.3473 4475.193       322.3537 382.4209 14.35337 389.7733 14.12501 -7.352356      20.13791 
1 1 1 -18 1  7  o 224.7539 12.75352 1490.092       167.4179 1550.121       233.2269 1426.277       240.4685 228.6637 17.52481 219.0816 18.90013 9.582077       25.77468 
1 1 1 -18 1  8  o 375.2532 9.984580 4139.496       219.5425 4060.831       308.1769 4220.558       312.8355 371.1980 14.18220 378.4464 14.11963 -7.248413      20.01246 
1 1 1 -18 1  9  o 272.3160 18.98204 2199.683       301.2582 2199.683       301.2582 0.000000       0.000000 272.3160 18.98204 ?        ?        0.000000       18.98204 
1 1 1 -18 1  10 o 639.0155 11.61339 12006.37       435.2320 11875.80       612.1885 12139.81       618.8881 634.4609 16.46634 641.4796 16.46410 -7.018677      23.28533 
1 1 1 -18 1  11 o 545.0445 10.51834 8731.877       336.2246 8917.864       482.2761 8555.997       468.9891 549.9555 14.96655 538.6949 14.85882 11.26056       21.08986 
1 1 1 -18 1  12 o 371.4812 9.360039 4057.279       203.7600 4018.980       288.9503 4095.161       287.3764 369.2191 13.36613 372.7359 13.16686 -3.516724      18.76218 
1 1 1 -18 1  13 f 449.4895 9.568591 5937.970       252.2424 5641.567       347.7863 6266.930       366.3895 437.4222 13.57335 461.0525 13.56484 -23.63025      19.18960 
1 1 1 -18 1  14 o 372.7200 9.090774 4082.696       198.7166 4065.027       283.1899 4099.836       278.9142 371.2555 13.02651 372.8846 12.77283 -1.629181      18.24377 
1 1 1 -18 1  15 o 343.9670 8.820102 3479.561       177.7798 3320.037       248.9084 3645.687       254.0063 335.4582 12.67455 351.6023 12.33718 -16.14407      17.68757 
1 1 1 -18 1  16 f 565.1958 10.47267 9400.266       347.1418 9616.271       497.6291 9195.508       484.4995 570.4454 14.88718 557.8361 14.82249 12.60938       21.00796 
1 1 1 -18 1  17 o 539.6965 14.30387 8608.059       452.3460 0.000000       0.000000 8608.059       452.3460 ?        ?        539.6965 14.30387 0.000000       14.30387 
1 1 1 -18 1  18 o 260.2476 8.610792 1993.765       131.2448 1979.347       184.1979 2008.632       187.0512 258.8060 12.16964 260.7014 12.26836 -1.895416      17.28042 
1 1 1 -18 1  19 o 413.2774 8.841182 5024.291       214.2903 5215.069       308.0531 4845.417       298.2873 420.2042 12.51408 405.0110 12.57314 15.19324       17.73939 
1 1 1 -18 1  20 o 65.96221 20.80259 128.5400       89.92284 196.2908       126.9828 60.38799       127.3583 80.53926 24.61153 60.45275 24.02634 20.08651       34.39466 
1 1 1 -18 1  21 f 133.6200 12.17673 531.4854       94.37562 738.1041       132.8241 320.8157       134.1199 157.2151 14.57143 101.3960 23.07465 55.81912       27.29041 
1 1 1 -18 1  22 f 126.1446 12.87595 475.1950       93.92297 535.9597       132.2811 413.4164       133.3800 133.1358 17.35417 115.9565 20.35521 17.17934       26.74886 
1 1 1 -18 1  23 o 60.77965 20.81746 102.1371       89.35336 74.29683       127.7634 128.7907       125.0110 62.15002 24.25790 69.42365 24.57002 -7.273628      34.52726 
1 1 1 -18 1  24 o 343.1033 8.598542 3467.469       172.8853 3463.151       245.6529 3471.707       243.3566 342.1021 12.26363 342.5579 12.13235 -0.4557495     17.25081 
1 1 1 -18 1  25 o 119.4608 15.28355 430.1691       104.6286 437.3307       147.4137 422.8989       148.5269 118.8835 21.95142 116.7204 22.51325 2.163116       31.44378 
1 1 1 -18 1  26 o 72.98499 22.02950 161.7146       102.1656 103.8589       141.0425 225.5829       148.1903 67.95715 25.75216 86.05309 26.64042 -18.09594      37.05247 
1 1 1 -18 1  27 f 216.8778 10.59575 1390.718       134.3634 1472.879       193.0006 1313.444       187.1706 222.3352 14.88708 209.8024 15.31719 12.53284       21.35982 
1 1 1 -18 1  28 o 233.9026 9.396832 1614.820       128.6418 1614.770       182.7559 1614.870       181.1092 233.1137 13.42436 233.1491 13.30031 -0.3535461E-01 18.89740 
1 1 1 -18 1  29 o 328.5956 8.674486 3183.131       167.0229 3094.499       235.8908 3272.237       236.5226 323.0700 12.47328 332.3220 12.15614 -9.251953      17.41707 
1 1 1 -18 1  30 o 228.2892 9.541903 1540.334       127.4713 1473.549       179.4712 1608.324       181.0828 222.3115 13.83374 232.4229 13.34062 -10.11143      19.21834 
1 1 1 -18 1  31 o 529.2841 10.18696 8280.838       316.2161 8165.772       441.0058 8402.600       453.6568 523.3387 14.38212 530.7532 14.58802 -7.414490      20.48550 
1 1 1 -18 1  32 o 96.78447 17.84461 290.3113       97.55839 372.9141       139.2646 210.7137       136.7078 108.6196 22.59836 82.34325 25.60321 26.27639       34.14982 
1 1 1 -18 1  33 o 115.2860 15.53834 404.9626       102.3862 342.2942       146.9391 464.1036       142.7439 103.2861 24.60914 121.9475 20.69802 -18.66142      32.15615 
1 1 1 -18 1  34 o 89.96359 19.92292 255.8224       102.3417 345.5669       146.4454 170.1561       143.0793 103.5150 24.50490 76.10246 26.33175 27.41254       35.97013 
1 1 1 -18 1  35 o 75.08218 21.41938 178.9824       98.93777 194.6769       139.5269 163.1101       140.3147 79.13778 26.00205 74.49481 26.05792 4.642967       36.81198 
1 1 1 -18 1  36 f 203.5618 10.13494 1235.710       120.6146 1189.141       171.6640 1281.116       169.5062 197.7734 14.90977 205.6784 14.13827 -7.905029      20.54730 
1 1 1 -18 1  37 o 37.48531 17.38634 -68.76794      91.26463 -156.0611      131.9453 11.30459       126.3705 40.96899 19.57019 52.73831 22.67071 -11.76932      29.94918 
1 1 1 -18 1  38 o 29.29860 14.46534 -188.4848      90.12830 -32.82630      127.6912 -343.0241      127.2313 48.53969 21.74474 31.70076 15.89295 16.83893       26.93361 
1 1 1 -18 1  39 o 76.39725 20.70595 193.3462       95.07176 236.6844       135.3358 151.1222       133.5849 83.18814 25.40562 70.04763 25.32783 13.14051       35.87401 
1 1 1 -18 1  40 o 161.7932 11.15090 793.6340       105.1614 609.4512       327.4612 814.8134       111.0433 119.3784 39.85682 163.7082 11.64164 -44.32975      41.52221 
1 1 1 -18 1  41 o 84.06274 19.50817 235.9044       94.31716 691.2863       302.0780 186.7158       99.28046 127.4930 37.73933 74.14125 21.55142 53.35178       43.45942 
1 1 1 -18 1  42 o 58.15475 21.60277 99.08768       98.20913 145.3881       130.7290 39.10567       148.7956 67.51958 24.95309 57.10141 24.57386 10.41817       35.02187 
1 1 1 -18 1  43 o 56.82089 22.46354 83.54759       110.7766 -19.12558      153.7816 194.2900       159.7102 52.44278 23.64681 74.55815 27.57591 -22.11537      36.32633 
1 1 1 -18 1  44 o 34.58520 16.80151 -154.9469      107.4990 -174.8567      157.3683 -137.5283      147.1942 43.20584 20.82858 43.37273 20.70514 -0.1668816     29.36891 
1 1 1 -18 1  45 o 103.6149 18.55042 360.7943       108.5871 463.3314       160.8082 274.8534       147.2204 112.1563 25.07765 84.77309 26.60136 27.38321       36.55846 
1 1 1 -18 1  46 o 68.83047 23.44779 169.8306       113.3296 70.47418       155.2742 283.0952       165.7863 58.96323 25.23408 84.06097 28.36247 -25.09774      37.96299 
1 1 1 -18 1  47 o 126.3366 16.27495 523.1638       117.7884 535.0480       172.5504 512.7935       161.1855 119.3017 25.43866 118.1142 24.08615 1.187485       35.03238 
1 1 1 -18 2  1  o 1001.249 19.32727 29559.23       1134.914 28708.24       1911.915 30022.23       1410.252 980.9218 33.28228 1007.611 23.86455 -26.68903      40.95396 
1 1 1 -18 2  2  o 1282.440 24.26592 48649.26       1825.090 44735.43       2943.883 51092.67       2326.043 1219.198 41.23074 1311.106 30.25029 -91.90771      51.13760 
1 1 1 -18 2  3  o 1513.287 35.06561 68395.57       3112.098 72473.45       4612.796 64988.71       4216.232 1541.349 51.09912 1461.513 49.25977 79.83594       70.97636 
1 1 1 -18 2  4  o 898.5848 21.52247 23846.39       1134.231 22764.88       1540.711 25126.01       1675.893 874.5310 30.08449 918.3207 31.16241 -43.78973      43.31480 
1 1 1 -18 2  5  f 631.7990 11.78443 11730.95       436.6544 12332.60       634.2520 11188.85       602.0508 646.8633 16.73260 616.1277 16.67675 30.73560       23.62401 
1 1 1 -18 2  6  o 76.26543 27.37079 146.2666       155.6597 99.73098       210.7860 202.0839       230.8519 78.11419 30.95340 91.00665 33.23833 -12.89246      45.41916 
1 1 1 -18 2  7  o 76.13976 26.97982 149.6377       150.7740 169.3742       206.0973 126.9127       221.1510 84.79808 31.33238 82.11892 31.95400 2.679161       44.75239 
1 1 1 -18 2  8  o 580.2029 12.73539 9900.441       433.3538 10110.77       739.2682 9790.333       534.8914 584.3386 21.60905 576.2913 15.84109 8.047302       26.79350 
1 1 1 -18 2  9  o 345.0789 11.48736 3504.495       232.1579 3348.097       269.3116 3956.924       458.0529 337.0286 13.65330 365.1221 21.48576 -28.09357      25.45684 
1 1 1 -18 2  10 o 274.5046 12.47844 2221.114       200.3657 2146.018       368.8620 2252.547       238.6431 267.9957 23.71296 276.1575 14.78864 -8.161804      27.94653 
1 1 1 -18 2  11 o 608.8660 11.16685 10900.11       398.7522 10887.46       560.4338 10913.07       567.4734 607.5079 15.74302 608.1807 15.92341 -0.6727295     22.39191 
1 1 1 -18 2  12 o 259.6275 9.807833 1983.806       149.0708 1915.842       207.1565 2056.796       214.6808 254.6612 13.92325 263.8900 13.92062 -9.228851      19.68859 
1 1 1 -18 2  13 o 480.1133 9.688984 6775.223       272.8176 6731.604       383.7545 6819.795       387.9240 477.8128 13.70864 480.9237 13.76789 -3.110931      19.42888 
1 1 1 -18 2  14 o 189.1370 10.87190 1055.799       120.0878 1017.853       166.0917 1097.365       173.8322 185.0800 15.44223 192.2027 15.55405 -7.122650      21.91782 
1 1 1 -18 2  15 o 828.1665 13.99765 20228.63       679.8660 19917.28       951.0954 20553.95       972.2037 819.4125 19.79115 832.3456 19.91604 -12.93311      28.07736 
1 1 1 -18 2  16 o 659.6141 16.55336 12879.40       639.8578 12859.62       885.4394 12901.03       925.6935 656.2305 23.04233 656.7471 24.07432 -0.5166626     33.32449 
1 1 1 -18 2  17 o 313.0349 8.643973 2883.196       158.5407 2636.737       219.2122 3153.489       229.5669 298.7795 12.53804 326.8903 11.99482 -28.11075      17.35160 
1 1 1 -18 2  18 o 559.1790 10.33012 9206.064       338.7713 9267.716       483.0317 9146.383       475.2529 559.6974 14.72819 556.0663 14.58555 3.631104       20.72819 
1 1 1 -18 2  19 o 223.7345 9.002476 1475.073       117.8848 1590.303       166.9056 1360.370       166.5236 231.8416 12.31944 214.2083 13.32121 17.63330       18.14451 
1 1 1 -18 2  20 o 184.5823 9.777883 1006.040       105.4711 1113.411       148.1698 895.7541       150.1674 193.6948 13.12086 173.3122 14.91899 20.38260       19.86789 
1 1 1 -18 2  21 o 88.40807 18.13769 240.9895       90.88610 90.98260       126.6427 400.2958       130.5092 64.27341 24.39157 114.1281 20.23940 -49.85465      31.69514 
1 1 1 -18 2  22 o 361.6934 8.492469 3849.926       180.1462 3774.624       255.1088 3924.824       254.4229 357.2604 12.19346 364.3744 11.92183 -7.113983      17.05317 
1 1 1 -18 2  23 o 172.3580 10.54705 879.3428       106.1032 942.0722       148.9969 814.8035       151.1311 177.7239 14.41863 164.9050 15.82061 12.81886       21.40534 
1 1 1 -18 2  24 o 350.2809 8.698793 3612.144       178.7006 3752.772       257.8272 3482.131       247.9062 356.1115 12.36379 343.0199 12.34316 13.09161       17.47045 
1 1 1 -18 2  25 o 325.5151 8.824203 3121.985       168.3047 3115.746       243.8242 3127.663       232.6093 324.3301 12.84395 325.1042 12.22160 -0.7741089     17.72948 
1 1 1 -18 2  26 o 129.4390 15.01417 503.4288       111.8651 506.4756       158.3434 500.3929       158.0592 128.1949 21.84340 127.3768 21.95050 0.8180466      30.96706 
1 1 1 -18 2  27 o 73.33443 22.81228 161.7309       108.5146 136.7642       152.8483 187.1031       154.0847 73.70300 27.02555 80.70142 27.34276 -6.998413      38.44485 
1 1 1 -18 2  28 o 109.6632 16.33881 365.3892       101.8797 229.0995       142.6821 507.1527       145.5192 86.23419 26.03490 128.6719 19.92721 -42.43768      32.78582 
1 1 1 -18 2  29 o 253.1447 9.331957 1891.812       138.3083 1916.636       194.0287 1866.167       197.2048 253.9900 13.06958 250.5129 13.47216 3.477081       18.77001 
1 1 1 -18 2  30 o 116.4515 15.49997 410.9117       103.2323 418.6724       145.7875 403.1073       146.1982 115.7515 22.28405 113.3948 22.77520 2.356720       31.86359 
1 1 1 -18 2  31 o 196.7520 10.07560 1147.053       115.8756 1051.035       164.0826 1242.582       163.6638 187.0976 15.08121 203.9086 13.76637 -16.81093      20.41950 
1 1 1 -18 2  32 o 128.5792 13.98035 498.3274       103.7288 665.6899       148.2737 337.9095       145.1649 147.8314 17.43712 102.8345 24.43303 44.99687       30.01710 
1 1 1 -18 2  33 o 43.42243 19.17049 -23.86431      95.63289 -2.658577      132.9745 -46.58305      137.6366 53.70554 23.17251 50.64993 22.64118 3.055611       32.39735 
1 1 1 -18 2  34 o 208.6829 10.21263 1293.671       124.6104 1320.427       178.1250 1268.026       174.3858 209.4478 14.59229 205.2341 14.58309 4.213699       20.63010 
1 1 1 -18 2  35 o 43.21309 19.10945 -23.25408      95.40021 33.41283       140.4183 -71.83475      130.0142 58.28458 24.42305 46.69960 21.32572 11.58498       32.42332 
1 1 1 -18 2  36 f 85.72884 19.53990 235.4465       96.04942 247.0881       142.2692 225.6962       130.2005 86.68997 25.95791 83.17847 24.81505 3.511505       35.91100 
1 1 1 -18 2  37 o 269.6034 8.833431 2162.182       139.4821 2159.914       199.5763 2164.347       195.0178 267.4084 12.76259 267.8734 12.44753 -0.4649658     17.82763 
1 1 1 -18 2  38 o 171.4948 10.70801 884.8992       107.1613 933.0667       153.2625 838.8273       149.8916 173.9429 15.17555 164.5707 15.72094 9.372177       21.85052 
1 1 1 -18 2  39 o 110.0069 20.85937 397.6114       129.6540 653.6820       318.1565 346.6172       141.9780 126.4913 39.01336 100.7277 24.31311 25.76361       45.96923 
1 1 1 -18 2  40 o 103.9853 17.90611 348.6693       105.2606 389.6612       332.4771 344.1028       110.9688 99.46992 39.04124 102.6573 19.13529 -3.187386      43.47848 
1 1 1 -18 2  41 o 154.1464 11.59113 725.5199       104.0200 669.6061       308.8360 732.6746       110.4748 124.3262 38.45362 154.5319 12.29094 -30.20573      40.37014 
1 1 1 -18 2  42 o 76.47591 24.54606 205.2039       124.7450 -66.58190      312.5896 256.6865       136.0478 67.98717 31.74911 84.50809 25.40224 -16.52092      40.66054 
1 1 1 -18 2  43 o 117.2161 16.88351 445.5033       112.7219 486.0836       155.9509 401.1083       163.1160 117.6641 23.42299 103.9973 26.63087 13.66680       35.46603 
1 1 1 -18 2  44 o 60.67792 22.96534 112.8614       112.0861 102.0846       156.9516 124.0781       160.1235 63.14676 26.08645 65.70607 26.65191 -2.559311      37.29380 
1 1 1 -18 2  45 o 84.76283 21.31745 253.5742       105.8542 360.3589       147.2693 139.4351       152.2561 98.18545 25.38835 66.41682 26.31072 31.76863       36.56258 
1 1 1 -18 2  46 o 43.39621 19.71110 -28.19534      109.2022 92.72092       153.8594 -150.9389      155.0176 60.95695 25.55555 43.50425 20.89544 17.45270       33.01068 
1 1 1 -18 2  47 o 133.5865 16.66318 587.2281       127.7174 615.1830       188.3713 563.4438       173.7525 127.4443 26.08196 123.0536 24.93139 4.390648       36.08106 
1 1 1 -18 3  1  o 358.8069 12.43585 3788.551       261.2942 3704.406       430.5950 3837.596       328.7387 353.6635 20.85258 360.7660 15.57395 -7.102478      26.02649 
1 1 1 -18 3  2  o 1705.552 39.45490 87319.42       3946.539 0.000000       0.000000 87319.42       3946.539 ?        ?        1705.552 39.45490 0.000000       39.45490 
1 1 1 -18 3  3  o 246.5474 14.24998 1793.955       205.1686 1508.085       312.7417 2009.944       271.8426 224.5173 24.12945 260.5598 17.89804 -36.04257      30.04281 
1 1 1 -18 3  4  o 535.3588 15.57732 8443.657       488.5691 0.000000       0.000000 8443.657       488.5691 ?        ?        535.3588 15.57732 0.000000       15.57732 
1 1 1 -18 3  5  o 294.7976 11.02661 2556.984       190.3050 2571.375       264.7526 2541.600       273.7360 295.1652 15.34683 293.3679 15.97017 1.797241       22.14885 
1 1 1 -18 3  6  o 459.1024 10.37499 6191.927       279.3495 6200.873       391.4496 6182.644       398.7718 458.8026 14.56633 458.0842 14.86291 0.7184143      20.81067 
1 1 1 -18 3  7  o 370.5998 10.21669 4037.901       221.8458 4113.850       308.6964 3956.781       319.0337 373.6356 14.11283 366.3219 14.88086 7.313690       20.50883 
1 1 1 -18 3  8  o 167.3146 19.98915 838.4297       192.2697 853.8164       228.0980 800.6628       357.3586 168.1500 23.79387 159.9570 38.54976 8.193024       45.30157 
1 1 1 -18 3  9  o 518.6063 10.44007 7903.446       317.5352 7695.939       438.6431 8131.911       460.2617 511.0217 14.65109 525.2540 14.95641 -14.23224      20.93678 
1 1 1 -18 3  10 o 141.3448 21.53775 604.5289       172.9038 666.5306       324.1608 579.8750       204.4094 145.9304 37.63243 137.4296 26.31927 8.500809       45.92281 
1 1 1 -18 3  11 o 595.5604 10.99649 10428.58       384.0877 10160.79       531.6965 10720.82       555.4454 586.9045 15.46052 602.8118 15.72462 -15.90723      22.05202 
1 1 1 -18 3  12 o 208.2495 11.22627 1279.148       136.6033 1242.709       184.7827 1323.061       202.8517 204.7068 15.50675 211.1039 16.51583 -6.397034      22.65462 
1 1 1 -18 3  13 o 201.9961 10.49472 1203.045       123.9003 1142.861       166.3931 1277.944       185.6229 196.3597 14.55225 207.5803 15.35610 -11.22063      21.15604 
1 1 1 -18 3  14 o 325.5791 8.774542 3117.249       167.3923 3106.309       231.3699 3129.264       242.4774 324.5799 12.17602 325.6978 12.71867 -1.117889      17.60738 
1 1 1 -18 3  15 o 442.3941 12.96026 5772.935       335.8961 5837.733       450.0566 5691.453       504.6799 443.8519 17.32261 437.5737 19.71657 6.278229       26.24530 
1 1 1 -18 3  16 o 644.1438 13.16046 12236.33       497.1694 11928.55       829.5263 12408.86       621.0785 632.2267 22.40753 647.4667 16.36918 -15.23993      27.74973 
1 1 1 -18 3  17 o 392.6095 8.818355 4532.573       203.0480 4659.621       291.4840 4412.805       283.0101 397.3215 12.52463 386.6506 12.49694 10.67093       17.69293 
1 1 1 -18 3  18 o 204.4343 9.633119 1232.597       115.1723 1324.261       160.6316 1135.619       165.2218 211.4308 13.01737 195.4789 14.51535 15.95192       19.49736 
1 1 1 -18 3  19 o 567.3751 10.41558 9481.943       346.5807 9670.935       497.4323 9303.644       483.1576 571.5016 14.85369 560.5896 14.70851 10.91205       20.90388 
1 1 1 -18 3  20 o 300.2921 8.264936 2654.295       145.4189 2633.396       203.6626 2676.032       207.7036 298.5508 11.65406 300.9350 11.79131 -2.384186      16.57867 
1 1 1 -18 3  21 o 391.4298 8.689678 4509.127       199.4840 4472.736       280.4507 4546.395       283.8051 388.9535 12.30993 392.1343 12.35598 -3.180847      17.44146 
1 1 1 -18 3  22 o 108.2385 15.29275 354.1507       94.37604 271.4201       129.4662 447.9636       137.8651 93.15148 23.65739 120.8556 20.16055 -27.70412      31.08247 
1 1 1 -18 3  23 f 58.35257 21.18018 85.21416       93.53254 151.9463       130.5379 14.80783       134.0834 73.51739 25.16226 56.31285 23.74722 17.20454       34.59869 
1 1 1 -18 3  24 o 58.82893 21.07637 89.12595       92.25452 65.60911       129.2228 113.5712       131.7490 61.27012 24.24943 68.01723 25.06555 -6.747108      34.87573 
1 1 1 -18 3  25 o 123.2575 14.15527 455.8368       100.4701 376.4477       139.2426 542.0590       145.1113 110.0184 22.34377 133.4386 19.08547 -23.42023      29.38535 
1 1 1 -18 3  26 o 139.7968 13.90625 584.3306       112.5036 590.8395       160.2563 578.0056       157.9763 139.1275 20.23299 137.5946 20.17587 1.532852       28.57341 
1 1 1 -18 3  27 f 129.1929 15.34710 502.2491       114.0132 509.9496       161.9367 494.6799       160.5503 128.4759 22.30020 126.4466 22.47324 2.029320       31.65984 
1 1 1 -18 3  28 o 92.42188 18.91068 264.4452       99.04455 324.6133       139.2566 202.8502       140.8981 101.6442 23.78477 82.02654 26.06108 19.61768       35.28307 
1 1 1 -18 3  29 o 480.8863 9.733397 6821.458       274.5095 6829.303       388.8735 6813.667       387.5600 479.5255 13.84206 478.9896 13.81071 0.5359802      19.55348 
1 1 1 -18 3  30 o 153.2401 12.20901 699.9681       108.8178 511.1074       152.0971 898.0129       155.7513 128.5969 20.88265 172.8986 15.52505 -44.30173      26.02139 
1 1 1 -18 3  31 o 79.36936 21.28479 197.8826       101.1062 285.2742       141.2369 106.0243       144.8014 94.62836 25.05744 68.13855 26.02823 26.48981       36.12954 
1 1 1 -18 3  32 o 83.46152 20.02286 219.3498       96.75039 148.4062       134.3041 295.8832       139.4949 72.57886 25.48577 96.18589 24.62552 -23.60703      35.43926 
1 1 1 -18 3  33 o 204.1476 9.842612 1235.826       117.4962 1015.624       166.0472 1456.653       166.2825 183.4423 15.58139 220.8290 12.89537 -37.38669      20.22549 
1 1 1 -18 3  34 o 217.8707 10.05169 1409.455       128.0905 1398.968       184.0140 1419.313       178.4105 215.5655 14.64220 217.3479 14.07197 -1.782425      20.30799 
1 1 1 -18 3  35 o 119.6212 15.25259 437.5786       104.5740 336.4491       154.7822 522.5071       141.8434 101.2338 25.95135 129.4224 19.27454 -28.18859      32.32616 
1 1 1 -18 3  36 o 175.5499 10.75129 922.1796       110.1599 834.8734       164.6360 992.9540       148.2314 164.3787 17.33858 180.9179 14.08119 -16.53917      22.33621 
1 1 1 -18 3  37 o 120.0464 13.70054 441.3882       94.73295 423.8601       138.4620 456.8140       129.8934 114.2707 21.44823 119.8637 19.11965 -5.592987      28.73304 
1 1 1 -18 3  38 o 34.79346 16.47268 -94.55987      89.38886 -143.5528      132.2735 -53.37798      121.2717 41.53393 19.77144 45.49279 20.70575 -3.958862      28.62932 
1 1 1 -18 3  39 o 137.3595 12.61700 576.6329       100.5057 93.21288       311.8424 632.6688       106.1711 79.26515 34.81997 143.8828 12.71256 -64.61765      37.06804 
1 1 1 -18 3  40 f 205.2735 9.459015 1264.692       113.5691 1133.309       346.1218 1280.543       120.2252 170.8026 35.70413 206.2986 9.966336 -35.49602      37.06903 
1 1 1 -18 3  41 o 149.5696 12.23572 686.5385       106.3933 883.3370       318.3230 661.7894       112.8852 146.0076 37.10347 146.2449 13.30709 -0.2372742     39.41758 
1 1 1 -18 3  42 o 67.94975 21.99642 155.6952       100.0355 73.48648       324.4547 164.3309       105.1585 75.46113 34.15609 69.54777 22.55572 5.913361       40.93164 
1 1 1 -18 3  43 o 87.86305 20.36327 264.2526       102.8779 301.8393       142.8377 223.7369       148.2986 90.56261 25.70361 78.34924 26.81936 12.21337       37.14773 
1 1 1 -18 3  44 o 68.11910 22.54231 161.1941       104.8025 336.1035       137.7684 -79.04996      161.4616 95.95072 24.42348 49.07316 22.88389 46.87756       33.46907 
1 1 1 -18 3  45 o 93.88231 19.95597 303.5179       106.4886 270.6848       141.0088 347.0966       162.4527 84.50545 25.95630 94.32624 27.61062 -9.820793      37.89560 
1 1 1 -18 3  46 o 133.6408 15.27978 576.5866       117.6085 642.1648       171.4611 518.3190       161.6217 134.4247 22.54639 119.1653 23.95749 15.25938       32.89835 
1 1 1 -18 3  47 o 53.54201 22.68662 54.24757       123.3359 250.9068       178.5585 -125.1934      170.5628 78.94798 29.16525 47.05907 22.41561 31.88891       36.78411 
1 1 1 -18 4  1  o 1216.343 23.08130 43745.66       1646.519 40775.92       2682.666 45540.49       2085.545 1164.593 39.33376 1238.244 28.71856 -73.65100      48.70216 
1 1 1 -18 4  2  o 794.8958 19.67808 18641.39       917.3679 0.000000       0.000000 18641.39       917.3679 ?        ?        794.8958 19.67808 0.000000       19.67808 
1 1 1 -18 4  3  o 1212.074 28.30159 43630.77       2011.826 0.000000       0.000000 43630.77       2011.826 ?        ?        1212.074 28.30159 0.000000       28.30159 
1 1 1 -18 4  4  o 507.1776 12.08959 7560.909       359.6022 6539.484       551.9991 8314.001       473.9790 470.2797 20.05997 531.2507 15.22851 -60.97104      25.18551 
1 1 1 -18 4  5  o 486.7391 11.90508 6963.762       339.8436 6036.249       521.4427 7648.646       448.0795 451.8111 19.72637 509.5388 15.01070 -57.72772      24.78812 
1 1 1 -18 4  6  o 618.6771 11.62323 11250.40       421.7369 11522.88       604.1036 10991.35       589.0339 625.1683 16.49086 610.5743 16.46447 14.59399       23.30295 
1 1 1 -18 4  7  o 834.1661 20.09872 20554.24       983.2672 20441.17       1369.316 20674.61       1412.802 828.4824 28.22309 832.8638 28.96801 -4.381470      40.44364 
1 1 1 -18 4  8  o 266.7428 11.01696 2094.790       171.9766 2315.996       225.4647 1787.036       265.9395 280.1960 13.76248 245.3652 18.61975 34.83083       23.15386 
1 1 1 -18 4  9  o 49.31619 21.97462 -50.38147      128.5698 -163.1765      165.4701 121.4615       204.2398 49.17171 23.00724 79.30521 30.75000 -30.13349      38.40437 
1 1 1 -18 4  10 o 560.0189 12.71854 9228.138       417.7249 8904.533       726.3159 9388.082       510.6268 547.6259 22.66369 564.1852 15.44686 -16.55939      27.42715 
1 1 1 -18 4  11 o 78.33232 24.00032 182.6090       120.6519 119.8785       160.4206 264.3026       183.0690 73.30568 27.53337 94.42719 29.66849 -21.12151      40.47599 
1 1 1 -18 4  12 f 449.2223 9.473740 5930.414       249.5935 5893.480       349.6655 5968.780       356.3875 447.1479 13.34866 449.9679 13.52021 -2.820038      18.99954 
1 1 1 -18 4  13 o 344.3663 8.797468 3486.760       177.5305 3452.984       247.2515 3522.704       255.0629 342.2515 12.33827 345.6548 12.60323 -3.403229      17.63730 
1 1 1 -18 4  14 o 357.0048 8.701278 3745.433       182.1829 3945.312       260.8681 3555.133       254.5395 365.8312 12.17574 347.1959 12.52108 18.63528       17.46499 
1 1 1 -18 4  15 o 293.0065 8.961631 2526.118       153.8169 2670.162       219.8547 2388.010       215.2774 300.7784 12.49064 284.3450 12.94322 16.43335       17.98730 
1 1 1 -18 4  16 o 631.2402 11.28417 11734.55       417.7485 11841.66       594.8823 11630.34       586.7724 632.5383 16.04888 626.8926 15.97276 5.645691       22.64278 
1 1 1 -18 4  17 f 246.4122 11.87449 1793.729       171.0991 1755.350       207.2759 1875.807       303.1238 243.2970 14.59359 250.1236 20.85358 -6.826614      25.45280 
1 1 1 -18 4  18 o 349.6095 8.702717 3594.743       178.4385 3874.620       259.9935 3345.519       245.3436 362.2368 12.25590 336.5281 12.45238 25.70862       17.47195 
1 1 1 -18 4  19 f 537.3561 10.09359 8503.375       318.0961 8575.739       453.7754 8433.457       446.0360 538.2740 14.38721 533.8306 14.25952 4.443420       20.25650 
1 1 1 -18 4  20 o 241.4358 8.884855 1717.716       125.5918 1843.404       180.8718 1600.693       174.5254 249.5597 12.39674 232.4247 12.85347 17.13503       17.85751 
1 1 1 -18 4  21 o 214.1897 9.277802 1353.381       116.2688 1406.347       166.7078 1303.216       162.2409 217.7091 13.11741 209.5157 13.27184 8.193436       18.66034 
1 1 1 -18 4  22 o 317.2130 8.423758 2963.278       156.5751 2984.778       223.3243 2942.492       219.5844 317.6683 12.00865 315.4333 11.89109 2.235016       16.89988 
1 1 1 -18 4  23 o 161.2800 10.95140 770.9401       102.9715 795.8768       145.4938 745.9141       145.7540 163.0510 15.39730 157.6779 15.98205 5.373123       22.19240 
1 1 1 -18 4  24 o 297.3316 8.669959 2604.728       151.0235 2687.525       215.4263 2524.711       211.7795 301.3278 12.21547 292.0023 12.39470 9.325500       17.40248 
1 1 1 -18 4  25 o 71.62218 22.26508 153.9529       103.3898 111.8122       145.5989 196.8146       146.8394 69.59804 26.21134 81.61718 26.66657 -12.01914      37.39171 
1 1 1 -18 4  26 o 177.5482 11.69969 934.8741       121.1474 1046.899       174.2961 830.1675       168.5070 187.0479 16.04336 166.0559 17.56880 20.99202       23.79185 
1 1 1 -18 4  27 o 229.6361 12.88918 1564.867       172.8898 1135.140       376.5913 1679.625       194.6104 187.9671 35.46147 237.6788 14.02360 -49.71164      38.13368 
1 1 1 -18 4  28 o 280.8389 8.947069 2325.772       147.1750 2312.405       210.1082 2338.648       206.2201 279.1998 12.86609 280.8604 12.55129 -1.660614      17.97418 
1 1 1 -18 4  29 o 330.1140 8.871512 3213.832       171.6004 3276.655       246.1732 3154.453       239.3307 332.3562 12.65261 326.1252 12.53641 6.231079       17.81152 
1 1 1 -18 4  30 o 207.8077 9.897411 1277.930       120.2773 1270.100       176.8878 1284.663       164.0341 206.0374 14.73596 207.5375 13.55092 -1.500076      20.01939 
1 1 1 -18 4  31 o 179.6581 11.02394 959.1034       115.5947 919.9377       165.2409 996.6390       161.7657 174.5685 16.32941 182.0685 15.29074 -7.499969      22.37089 
1 1 1 -18 4  32 o 202.4549 10.06566 1215.375       119.1399 1221.321       173.8121 1210.106       163.6273 201.6676 14.79885 200.9921 13.96808 0.6755829      20.34977 
1 1 1 -18 4  33 o 99.59629 18.49673 308.8884       104.0646 205.8634       148.6172 407.9949       145.7635 81.91645 26.83134 113.4700 22.69703 -31.55353      35.14365 
1 1 1 -18 4  34 o 151.0036 12.41501 683.8764       108.9772 705.8184       155.8655 662.8921       152.4262 151.6691 17.86507 146.8492 18.07978 4.819870       25.41730 
1 1 1 -18 4  35 o 58.80452 21.36726 91.83346       95.22699 96.68446       132.4533 86.64334       137.0046 64.41798 24.82062 63.75210 25.04983 0.6658745      35.26410 
1 1 1 -18 4  36 o 110.2908 15.36522 375.4962       96.69215 545.5406       147.7649 248.1598       127.8694 131.4091 19.78646 86.82588 24.20652 44.58321       31.26435 
1 1 1 -18 4  37 o 221.8486 9.281427 1467.645       120.4929 1589.197       173.3593 1354.044       167.5925 229.0881 12.95590 211.0590 13.61201 18.02917       18.79208 
1 1 1 -18 4  38 o 51.74841 20.24416 59.28085       89.14791 679.1490       332.2617 11.19608       92.54105 129.5982 39.85047 45.77285 19.53200 83.82532       44.37971 
1 1 1 -18 4  39 o 34.22832 16.36707 -113.3715      92.79471 -69.80417      304.3673 -117.8361      97.43336 69.74036 32.13522 35.09719 16.77945 34.64316       36.25220 
1 1 1 -18 4  40 o 142.8512 12.88878 626.9502       106.8206 1274.868       338.4226 555.2549       112.5756 185.3859 32.29993 133.5091 14.61607 51.87685       35.45300 
1 1 1 -18 4  41 f 144.2139 11.91998 637.3067       99.91729 491.2242       321.6781 652.9058       105.1167 105.5260 39.11632 145.7145 12.41861 -40.18857      41.04033 
1 1 1 -18 4  42 o 71.01383 22.09048 172.6377       101.7561 88.91022       336.0698 181.0884       106.7679 76.82525 34.76894 72.49059 22.64008 4.334656       41.49039 
1 1 1 -18 4  43 o 119.3480 16.26121 459.0467       110.8625 123.7869       338.4341 499.3462       117.3366 77.40717 34.97523 124.3890 16.49008 -46.98180      38.66768 
1 1 1 -18 4  44 o 100.6158 17.94813 336.6766       102.0245 302.2077       137.3954 379.0437       152.3256 90.33605 25.05721 100.9422 25.67467 -10.60612      35.87551 
1 1 1 -18 4  45 o 61.29503 22.96500 119.8428       111.4559 189.2269       156.0004 47.49590       159.2962 72.49639 27.16770 57.74076 25.13538 14.75563       37.01178 
1 1 1 -18 4  46 o 57.14720 22.89077 89.90247       116.5080 140.5400       170.0652 45.11772       159.9353 66.84715 27.33453 57.11566 25.01762 9.731495       37.05479 
1 1 1 -18 4  47 o 93.90102 25.80539 340.4620       146.4811 -134.1454      301.2414 487.4321       167.6339 60.68688 29.14322 113.1620 25.82952 -52.47514      38.94215 
1 1 1 -18 5  1  o 811.2099 19.73883 19419.56       939.0858 18631.20       1276.125 20350.76       1386.918 791.7557 27.52406 827.0762 28.63587 -35.32050      39.71885 
1 1 1 -18 5  2  o 862.8643 29.97048 22179.87       1514.352 0.000000       0.000000 22179.87       1514.352 ?        ?        862.8643 29.97048 0.000000       29.97048 
1 1 1 -18 5  3  o 477.9568 11.91093 6714.622       333.8758 5863.109       507.5630 7364.110       443.2816 445.3293 19.48095 499.9513 15.13568 -54.62198      24.66974 
1 1 1 -18 5  4  o 1324.463 24.98852 51985.55       1941.024 48253.77       3151.847 54265.56       2463.624 1262.802 42.61889 1349.291 31.13280 -86.48914      52.77898 
1 1 1 -18 5  5  o 445.9575 11.62409 5849.587       303.7614 5451.146       470.7766 6133.790       397.6015 429.4376 18.73746 456.2334 14.87961 -26.79587      23.92688 
1 1 1 -18 5  6  o 285.0783 14.29405 2397.896       238.2222 2387.078       296.1366 2417.736       401.0184 283.9409 17.87404 284.6294 24.25422 -0.6884155     30.12886 
1 1 1 -18 5  7  o 468.4426 11.95998 6456.275       328.3083 6463.875       399.2109 6440.394       577.0734 468.3445 14.55170 466.2179 21.16047 2.126678       25.68107 
1 1 1 -18 5  8  o 324.7810 9.915239 3102.018       188.6407 3064.110       252.9234 3149.542       283.1916 322.4064 13.40551 326.6900 14.81925 -4.283661      19.98294 
1 1 1 -18 5  9  o 534.4304 10.51167 8394.547       329.4681 8315.435       463.3307 8475.465       468.5903 531.0896 14.89024 536.1746 14.91622 -5.084961      21.07635 
1 1 1 -18 5  10 o 459.5569 11.86415 6216.215       319.4944 5792.539       567.7075 6412.603       386.5131 441.5825 21.99028 466.3992 14.14680 -24.81668      26.14775 
1 1 1 -18 5  11 o 745.1226 12.88820 16343.97       563.2101 16300.30       794.1811 16388.15       798.8381 742.6910 18.23311 744.6714 18.29126 -1.980347      25.82666 
1 1 1 -18 5  12 f 62.31765 22.66963 94.71384       107.2313 188.6458       138.7868 -44.41452      168.9076 80.50533 25.89565 58.05013 25.55891 22.45519       36.38465 
1 1 1 -18 5  13 o 403.9210 9.155814 4795.128       216.8922 4634.471       299.2408 4972.944       314.8152 396.4493 12.88725 410.6507 13.08843 -14.20142      18.36813 
1 1 1 -18 5  14 o 482.3848 9.619815 6842.069       272.1516 6869.016       385.3073 6815.241       384.4551 482.4858 13.63037 480.5869 13.65412 1.898926       19.29305 
1 1 1 -18 5  15 o 579.9955 10.67220 9900.275       363.0188 9825.638       513.2757 9974.977       513.4967 576.5376 15.19327 580.9385 15.08428 -4.400879      21.40960 
1 1 1 -18 5  16 o 244.9917 9.352720 1767.923       134.1348 1954.418       190.9669 1586.314       188.4486 257.1396 12.70238 231.3958 13.95111 25.74374       18.86754 
1 1 1 -18 5  17 o 406.5653 12.24062 4878.461       291.5340 4787.703       384.4434 5001.283       447.2246 401.7499 16.35063 409.9278 18.65121 -8.177887      24.80345 
1 1 1 -18 5  18 o 137.9725 12.53331 566.2478       100.3110 549.4896       134.3933 587.3280       150.7306 135.0107 17.37542 139.3134 18.93828 -4.302750      25.70143 
1 1 1 -18 5  19 o 315.5860 8.449677 2931.464       156.2490 3117.293       227.9354 2766.733       214.6055 324.8351 11.98515 306.0005 11.98142 18.83463       16.94693 
1 1 1 -18 5  20 o 125.9892 13.24644 474.2711       96.41504 393.5118       130.7969 570.3706       142.6796 113.1070 20.47120 137.2886 18.16590 -24.18166      27.36914 
1 1 1 -18 5  21 o 140.3025 12.24385 585.7753       99.73918 712.0887       143.6660 468.2527       138.5766 154.0447 16.14160 123.7441 19.75900 30.30060       25.51410 
1 1 1 -18 5  22 o 147.7334 11.90533 648.6938       102.2775 618.1888       141.3496 682.2165       148.1762 143.1458 17.17989 150.4921 17.09093 -7.346313      24.23322 
1 1 1 -18 5  23 o 217.7766 9.499548 1399.861       121.0371 1455.923       168.2919 1339.789       174.2060 221.4791 13.01361 212.2103 14.07693 9.268860       19.17066 
1 1 1 -18 5  24 o 300.6146 8.724673 2662.663       153.6562 2625.450       216.9243 2700.137       217.6830 297.7699 12.44904 302.0136 12.31571 -4.243683      17.51158 
1 1 1 -18 5  25 o 126.7681 15.13549 483.3103       110.3065 502.6188       155.2728 463.6373       156.7312 127.7921 21.47880 122.3125 22.68418 5.479630       31.23957 
1 1 1 -18 5  26 o 304.0504 9.035679 2724.746       160.9440 2440.386       217.8173 3066.680       238.8526 286.9452 12.97682 321.8044 12.68057 -34.85916      18.14372 
1 1 1 -18 5  27 o 326.6823 8.967150 3145.453       171.6404 3239.476       248.9128 3060.217       236.9977 330.6514 12.86042 321.4269 12.59659 9.224487       18.00179 
1 1 1 -18 5  28 o 235.8460 9.373550 1642.052       129.3949 1620.862       184.6555 1662.496       181.3727 233.4709 13.54402 236.5590 13.12465 -3.088104      18.85993 
1 1 1 -18 5  29 o 374.1929 9.051719 4127.678       198.6448 4314.747       293.0683 3968.690       270.1779 381.2542 13.12659 365.7993 12.61266 15.45493       18.20403 
1 1 1 -18 5  30 o 169.5017 11.55622 854.5078       114.1919 919.7980       163.6667 792.5764       159.4012 174.7542 16.15186 161.8641 17.04721 12.89012       23.48382 
1 1 1 -18 5  31 o 497.6608 9.927702 7320.280       289.7561 7418.578       421.8819 7232.506       398.6577 498.6020 14.44256 492.6697 13.81091 5.932281       19.98322 
1 1 1 -18 5  32 o 136.4408 13.10131 558.9462       103.5489 471.1683       156.1689 627.8152       138.3292 122.3391 22.59827 143.6732 16.72935 -21.33408      28.11677 
1 1 1 -18 5  33 o 38.88195 17.86522 -63.76064      93.13823 26.32968       129.9960 -158.7858      133.5089 56.08996 23.50104 41.80506 19.89003 14.28490       30.78818 
1 1 1 -18 5  34 f 267.5061 9.034883 2119.268       141.5413 2150.627       212.6567 2094.326       189.6519 267.8318 13.58271 264.8388 12.24339 2.993073       18.28635 
1 1 1 -18 5  35 o 120.5106 14.93321 443.8572       103.2863 324.2894       147.8385 557.8669       144.3614 99.38435 25.30189 133.8089 18.92312 -34.42459      31.59542 
1 1 1 -18 5  36 o 40.16389 17.81993 -21.93259      83.63512 80.74784       118.4337 -124.0746      118.1228 59.86260 23.35820 40.02058 18.94404 19.84202       30.07462 
1 1 1 -18 5  37 o 58.58485 20.49632 100.2947       86.81350 -100.1583      366.0045 112.2445       89.36370 75.82706 35.04644 61.02326 20.82077 14.80380       40.76466 
1 1 1 -18 5  38 o 72.70527 21.27751 173.6934       96.48386 577.6097       350.4313 140.5626       100.3629 118.3725 41.19514 66.59921 22.06044 51.77326       46.73010 
1 1 1 -18 5  39 o 39.25056 17.80050 -38.53834      88.63700 380.5064       326.5785 -71.86154      92.09388 99.98764 38.85208 37.13305 17.30485 62.85459       42.53165 
1 1 1 -18 5  40 o 143.8288 12.19277 632.8760       101.8805 1105.941       334.3810 584.4662       106.9664 169.1388 34.86846 137.5783 13.42776 31.56047       37.36461 
1 1 1 -18 5  41 o 89.84787 19.53338 269.4783       99.98661 553.6799       327.1662 240.1992       105.0108 110.7136 39.68743 83.87199 21.30914 26.84157       45.04633 
1 1 1 -18 5  42 o 106.7988 16.77005 368.7530       101.5820 563.2476       366.8919 352.6057       105.7147 107.5690 41.34522 103.6591 18.04425 3.909897       45.11122 
1 1 1 -18 5  43 o 56.56668 21.80971 89.18727       102.3151 319.7564       356.5229 68.49386       106.8078 88.69180 38.10189 54.19616 21.84463 34.49563       43.91972 
1 1 1 -18 5  44 o 76.64092 26.52865 217.4736       145.2332 416.5254       362.1890 179.3357       158.5371 92.92672 39.09945 71.72251 27.27380 21.20421       47.67208 
1 1 1 -18 5  45 o 128.4138 15.04435 528.9136       111.1560 531.1498       166.1433 527.1015       149.5582 120.9852 24.26046 123.0487 21.50696 -2.063469      32.42097 
1 1 1 -18 5  46 o 35.20382 17.35280 -224.5387      127.9119 -125.2927      205.0057 -287.8060      163.6812 51.79618 24.64457 39.09209 19.33601 12.70409       31.32469 
1 1 1 -18 5  47 o 67.53396 25.37053 161.9642       136.2218 -271.0426      227.1033 405.3062       170.2491 48.40859 23.71221 100.4636 27.90252 -52.05501      36.61720 
1 1 1 -18 6  1  o 1134.506 21.67110 38047.22       1441.911 35221.23       2326.936 39808.72       1837.134 1082.927 36.69122 1157.888 27.05352 -74.96033      45.58661 
1 1 1 -18 6  2  o 923.7823 31.69379 25486.61       1714.552 0.000000       0.000000 25486.61       1714.552 ?        ?        923.7823 31.69379 0.000000       31.69379 
1 1 1 -18 6  3  o 1671.817 38.88766 84130.21       3812.862 0.000000       0.000000 84130.21       3812.862 ?        ?        1671.817 38.88766 0.000000       38.88766 
1 1 1 -18 6  4  o 554.8327 15.11073 9070.526       491.2396 8440.898       643.4969 9949.948       760.5070 534.1103 20.58157 579.4841 22.41978 -45.37384      30.43431 
1 1 1 -18 6  5  o 297.7889 13.46185 2614.298       234.4980 2411.086       288.1894 3012.479       403.4075 285.4484 17.29588 318.4201 21.73222 -32.97174      27.77475 
1 1 1 -18 6  6  o 341.4505 10.40204 3428.979       208.0607 3318.055       278.3488 3569.429       313.2113 335.4469 14.18064 347.7751 15.39452 -12.32819      20.93040 
1 1 1 -18 6  7  o 469.3771 10.16662 6473.621       279.8652 6587.888       396.6051 6360.290       394.9782 472.8155 14.31914 464.5370 14.51562 8.278503       20.38973 
1 1 1 -18 6  8  o 258.0595 10.88275 1961.024       164.3362 1997.461       219.3060 1914.362       248.1750 260.0405 14.43666 254.2336 16.73776 5.806915       22.10361 
1 1 1 -18 6  9  o 207.1809 11.98400 1266.789       144.9922 1362.556       193.3210 1143.654       219.2103 214.4549 15.47473 195.7648 19.34572 18.69014       24.77345 
1 1 1 -18 6  10 o 347.5263 11.72738 3556.719       238.6804 3386.718       454.0562 3621.630       280.5717 337.0278 23.11161 350.4194 13.67855 -13.39166      26.85608 
1 1 1 -18 6  11 f 381.0183 9.261441 4265.997       206.9545 4025.527       283.8904 4538.729       302.3354 369.5056 13.12107 392.3747 13.15686 -22.86914      18.58132 
1 1 1 -18 6  12 o 248.1764 9.784072 1813.424       142.1277 1799.577       191.3469 1830.465       212.2763 246.8073 13.26821 248.7270 14.61660 -1.919769      19.74058 
1 1 1 -18 6  13 o 195.7672 10.63679 1130.718       121.6652 1177.879       162.8986 1071.221       182.9657 199.3819 14.02034 189.6821 16.61482 9.699814       21.73987 
1 1 1 -18 6  14 o 625.4494 11.26138 11515.58       413.0801 11270.58       578.2249 11770.94       590.3303 617.3502 15.98380 630.9193 15.96687 -13.56909      22.59254 
1 1 1 -18 6  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 6  16 o 350.2475 11.86399 3619.419       243.3487 3663.594       317.3776 3556.398       379.0784 351.6408 15.42711 345.5934 18.77357 6.047424       24.29903 
1 1 1 -18 6  17 o 651.8815 16.25805 12587.05       621.5667 12333.13       849.8082 12879.16       911.4854 641.9089 22.60870 655.2919 23.75657 -13.38300      32.79525 
1 1 1 -18 6  18 o 200.8571 9.795151 1190.461       115.0369 1259.605       157.5585 1111.520       168.3508 206.1259 13.10124 193.2447 14.97115 12.88121       19.89417 
1 1 1 -18 6  19 o 313.5379 8.537056 2894.055       156.8355 3110.471       229.7077 2705.073       214.6545 324.4276 12.09395 302.5113 12.12351 21.91629       17.12435 
1 1 1 -18 6  20 o 98.10622 17.44544 294.5138       96.69727 333.3704       131.7469 249.1376       142.3714 103.5074 22.35751 89.66315 25.73137 13.84422       34.08755 
1 1 1 -18 6  21 o 175.9201 10.40580 915.4960       106.8801 1028.756       150.4848 800.2073       151.8267 185.9142 13.90227 163.4012 16.05006 22.51292       21.23388 
1 1 1 -18 6  22 o 220.0477 9.360953 1428.824       120.5297 1579.355       175.0716 1293.186       166.1848 230.7213 12.99078 208.5686 13.66121 22.15274       18.85177 
1 1 1 -18 6  23 o 104.1400 17.09459 330.8900       100.7869 272.2561       138.4824 396.9261       146.9639 93.22932 24.86944 112.8847 22.98072 -19.65539      33.86152 
1 1 1 -18 6  24 o 471.5771 9.502442 6551.742       262.8079 6615.042       376.0816 6491.331       367.4034 472.5112 13.58534 468.1351 13.39579 4.376038       19.07901 
1 1 1 -18 6  25 f 229.4290 9.904160 1554.191       132.9512 1598.201       187.8219 1509.993       188.2216 231.9053 13.87315 225.2935 14.31936 6.611847       19.93761 
1 1 1 -18 6  26 o 118.7816 16.79691 427.7450       113.7504 409.9548       157.2513 447.2711       164.7450 114.4753 24.18152 119.6531 24.30699 -5.177780      34.28667 
1 1 1 -18 6  27 o 159.2710 12.30753 754.4271       114.0718 631.8408       157.1615 890.9111       165.8311 144.1831 19.05157 172.2336 16.62347 -28.05046      25.28442 
1 1 1 -18 6  28 o 261.5302 9.389393 2018.922       143.7820 2017.972       208.0653 2019.790       198.9198 260.5186 13.66570 260.7946 13.04700 -0.2760010     18.89379 
1 1 1 -18 6  29 o 457.1115 9.555901 6164.154       256.1794 6011.439       363.7027 6314.524       360.8984 449.7487 13.80513 461.1516 13.35822 -11.40292      19.20999 
1 1 1 -18 6  30 o 162.5516 11.94313 787.1705       113.0622 492.0222       160.0419 1081.231       159.7468 125.4489 22.58323 190.0204 14.44263 -64.57152      26.80656 
1 1 1 -18 6  31 o 302.2502 8.843201 2698.377       156.5883 2641.385       228.8106 2748.583       214.7558 297.7439 13.13569 304.1106 12.06495 -6.366669      17.83562 
1 1 1 -18 6  32 o 42.39204 18.74736 -24.85438      91.83086 7.669207       128.8701 -58.40565      130.8903 53.99061 23.04422 48.29820 21.79351 5.692413       31.71740 
1 1 1 -18 6  33 o 75.63024 21.34376 180.1789       98.77631 121.1962       149.4786 225.8988       131.6040 70.19716 26.53147 84.34323 24.89511 -14.14607      36.38249 
1 1 1 -18 6  34 o 227.2908 9.864655 1534.065       131.1834 1678.170       195.4938 1416.023       176.9343 236.2047 14.17743 216.9837 13.97819 19.22101       19.90953 
1 1 1 -18 6  35 o 64.11003 21.13926 124.1210       92.18901 111.8227       127.2216 137.7189       133.7750 65.63973 24.54725 69.97511 25.33975 -4.335381      35.27989 
1 1 1 -18 6  36 o 62.01334 20.81716 116.0301       89.31529 325.9943       392.9709 104.5931       91.71558 102.7201 41.72049 60.13923 21.06511 42.58087       46.73690 
1 1 1 -18 6  37 o 150.8299 11.85164 688.2830       103.9959 -17.09782      379.3997 745.5868       108.1376 80.47191 36.62519 157.0258 11.82934 -76.55386      38.48815 
1 1 1 -18 6  38 o 166.9272 10.54440 838.9390       102.7010 498.9419       347.5405 871.4701       107.5020 111.0713 40.74788 170.0211 10.83752 -58.94978      42.16446 
1 1 1 -18 6  39 o 169.3279 11.14205 867.6510       110.0333 1030.401       378.6465 852.6398       114.9959 157.5412 40.69577 167.5481 11.77790 -10.00687      42.36584 
1 1 1 -18 6  40 o 96.92020 18.22808 305.9675       99.80897 575.8571       326.7086 278.1861       104.8201 114.8116 39.78648 91.38271 20.10526 23.42888       44.57786 
1 1 1 -18 6  41 f 169.9235 10.92134 878.0377       108.2616 591.3857       339.4785 910.4908       114.2257 113.1722 40.44372 172.8122 11.33293 -59.63992      42.00154 
1 1 1 -18 6  42 o 89.15608 20.07241 269.3381       102.4180 56.60744       384.5174 285.5827       106.2565 77.67712 35.90871 91.74676 20.28698 -14.06963      41.24314 
1 1 1 -18 6  43 o 102.3880 18.50693 349.0188       107.0414 457.6449       380.6816 339.6931       111.5417 96.92351 40.38384 100.2232 19.67929 -3.299660      44.92359 
1 1 1 -18 6  44 o 58.65279 23.19310 95.89277       118.1139 0.000000       0.000000 95.89277       118.1139 ?        ?        58.65279 23.19310 0.000000       23.19310 
1 1 1 -18 6  45 o 57.55706 22.31532 97.00515       107.5541 254.5427       154.8996 -49.65342      149.4555 81.06247 27.41527 48.76775 22.48830 32.29472       35.45872 
1 1 1 -18 6  46 o 57.56748 23.49662 86.73318       125.3774 423.4625       204.0382 -117.5428      158.9204 99.16400 31.34370 45.80802 21.76768 53.35598       38.16097 
1 1 1 -18 6  47 o 122.9945 19.35918 518.5458       135.0338 629.9626       204.7944 432.8486       179.6081 125.7720 28.43406 102.9110 28.68797 22.86097       40.39178 
1 1 1 -18 7  1  o 860.1848 20.70808 21866.21       1044.677 19925.65       1360.569 24653.56       1630.624 817.8764 28.40810 908.7108 30.64073 -90.83435      41.78366 
1 1 1 -18 7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 7  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 7  5  o 343.8092 11.26189 3478.412       226.7738 3279.143       324.9439 3667.616       316.6310 333.0964 16.68681 352.5247 15.35168 -19.42831      22.67429 
1 1 1 -18 7  6  o 888.5488 17.30907 23290.07       901.9979 23109.09       1531.015 23386.29       1116.302 879.5386 29.72340 888.9835 21.41102 -9.444946      36.63212 
1 1 1 -18 7  7  o 289.2371 10.43277 2461.886       176.6820 2520.370       238.2030 2390.359       263.4291 292.2554 13.93759 284.3343 15.86019 7.921082       21.11403 
1 1 1 -18 7  8  o 490.7019 10.29662 7077.061       296.3214 7269.626       418.3487 6883.176       419.7785 496.5872 14.37970 483.1143 14.83319 13.47296       20.65913 
1 1 1 -18 7  9  o 388.6923 9.570024 4439.524       218.1572 4477.576       302.2887 4398.165       315.1550 389.7619 13.24352 386.1798 13.93789 3.582092       19.22643 
1 1 1 -18 7  10 o 226.2387 14.35444 1514.327       189.4779 1487.953       385.8737 1522.706       217.5059 220.8298 30.61716 226.5484 16.48317 -5.718597      34.77220 
1 1 1 -18 7  11 o 487.3700 9.939564 6982.979       284.1035 6955.893       402.1507 7009.967       401.4165 485.5924 14.13608 487.4944 14.05493 -1.901947      19.93414 
1 1 1 -18 7  12 o 257.5186 9.598734 1952.266       144.7146 2099.446       199.5372 1788.946       210.1930 266.6680 12.79592 245.8402 14.64494 20.82784       19.44762 
1 1 1 -18 7  13 o 534.1017 10.21980 8390.995       320.1231 8239.611       449.7465 8546.454       455.7582 528.2322 14.53132 538.0041 14.45747 -9.771851      20.49824 
1 1 1 -18 7  14 o 246.8032 9.388762 1793.783       135.6491 1703.671       182.1289 1906.045       203.2834 240.0428 12.98553 253.8240 13.70669 -13.78123      18.88114 
1 1 1 -18 7  15 o 454.6108 12.85615 6099.804       342.4244 6721.895       491.7276 5514.113       477.1251 475.9064 17.64840 430.5742 18.94077 45.33221       25.88859 
1 1 1 -18 7  16 f 320.2599 11.77798 3027.096       220.8430 3424.651       296.4380 2531.253       331.0605 340.0289 14.90127 291.1374 19.50163 48.89154       24.54305 
1 1 1 -18 7  17 o 216.8187 11.88022 1390.286       150.4905 1353.438       185.0310 1462.293       258.6597 213.4023 14.87727 220.6593 20.21165 -7.256927      25.09669 
1 1 1 -18 7  18 o 402.4679 8.841937 4765.521       208.7032 5126.687       307.1068 4455.590       284.4908 416.5538 12.58538 388.3260 12.50801 28.22781       17.74379 
1 1 1 -18 7  19 o 278.4120 8.687412 2282.965       141.6762 2419.791       202.3031 2151.271       198.4727 286.0655 12.08554 269.6002 12.58724 16.46527       17.44990 
1 1 1 -18 7  20 o 117.2090 14.71470 413.2129       98.92583 398.3696       132.4521 431.9388       148.7699 113.7427 20.61454 118.1472 22.28745 -4.404541      30.35934 
1 1 1 -18 7  21 o 369.4897 8.849287 4019.086       191.7614 3955.714       274.0685 4079.865       268.4034 365.5662 12.80305 371.3878 12.33995 -5.821625      17.78180 
1 1 1 -18 7  22 o 260.7464 8.826745 2003.961       134.7854 2037.727       190.2451 1969.931       190.9878 262.2861 12.40280 257.8198 12.66984 4.466309       17.73004 
1 1 1 -18 7  23 o 168.8101 10.99202 844.3715       108.2326 894.6290       149.0548 788.3181       157.4151 173.0691 14.82780 161.9438 16.81882 11.12535       22.42178 
1 1 1 -18 7  24 o 315.6829 8.948019 2936.711       165.4970 3063.827       241.0020 2823.277       227.6633 321.6290 12.80217 308.7736 12.59840 12.85538       17.96149 
1 1 1 -18 7  25 f 53.15625 21.43467 39.98716       102.8848 144.0002       135.8752 -99.79145      157.5131 72.86541 25.63056 51.18706 23.41208 21.67835       34.71384 
1 1 1 -18 7  26 o 279.0822 9.431852 2297.309       154.1541 2493.786       223.3893 2118.689       212.9956 289.9983 13.16895 267.1420 13.64011 22.85626       18.95979 
1 1 1 -18 7  27 o 357.3970 9.178150 3765.847       192.2193 3700.214       273.6198 3829.800       270.0928 353.2444 13.23092 359.5034 12.83088 -6.258911      18.43065 
1 1 1 -18 7  28 o 149.0771 12.68849 662.7872       109.8825 498.9391       148.8098 859.2408       162.9449 127.2776 20.64208 168.9564 16.66090 -41.67876      26.52699 
1 1 1 -18 7  29 o 273.4037 10.93394 2213.224       174.9664 2379.310       210.2517 1839.163       315.5326 283.0240 12.69911 245.4728 22.15570 37.55121       25.53708 
1 1 1 -18 7  30 o 251.6489 9.293846 1871.872       136.9286 1817.444       200.1487 1919.761       187.7391 246.7510 13.88671 254.0007 12.64260 -7.249695      18.77967 
1 1 1 -18 7  31 o 115.4091 15.56322 405.2109       102.6569 476.1184       140.3934 323.7386       150.4893 123.9485 19.99336 100.4743 25.49988 23.47415       32.40337 
1 1 1 -18 7  32 o 99.79205 17.55045 308.2329       98.96703 265.8660       137.5277 353.7362       142.5272 91.15160 24.98616 105.2863 23.66013 -14.13474      34.41090 
1 1 1 -18 7  33 o 101.0941 17.86486 317.5404       102.0466 242.0696       154.0754 376.5178       136.2029 87.33611 27.18496 108.9361 22.07592 -21.59998      35.01954 
1 1 1 -18 7  34 o 147.3488 12.43668 652.3245       106.4711 746.3289       151.5798 560.7772       149.5857 156.2054 16.81036 134.1431 19.59185 22.06233       25.81528 
1 1 1 -18 7  35 o 112.7017 14.51686 388.9185       93.72578 146.3354       416.3069 401.8707       96.19537 94.74896 40.94185 114.5451 14.65470 -19.79617      43.48558 
1 1 1 -18 7  36 o 228.7330 9.001769 1556.941       120.5198 1308.935       418.6939 1579.346       125.8460 186.8756 39.44352 230.2474 9.338914 -43.37183      40.53402 
1 1 1 -18 7  37 o 107.1160 15.71768 358.4867       95.80438 262.9507       351.5842 366.1495       99.57243 94.18198 38.98813 108.0720 16.20930 -13.88998      42.22341 
1 1 1 -18 7  38 o 53.42457 20.68277 67.72346       92.29084 -81.49277      329.6389 80.41481       96.13558 71.92712 33.24955 55.94560 21.24685 15.98152       39.45835 
1 1 1 -18 7  39 o 31.76337 15.44417 -145.8923      91.36677 -131.4897      340.5874 -147.0092      94.84316 69.97854 32.82772 32.58076 15.81705 37.39778       36.43952 
1 1 1 -18 7  40 o 42.04256 18.63672 -14.69950      91.27457 -248.1088      313.4265 6.929344       95.40987 61.88597 29.72107 45.33340 19.59453 16.55257       35.59898 
1 1 1 -18 7  41 o 86.44344 19.97291 251.6235       99.22177 -355.8377      347.3981 305.5788       103.5345 61.08625 29.79382 95.99757 19.06213 -34.91132      35.37000 
1 1 1 -18 7  42 o 157.5430 11.58479 761.1016       106.2894 1097.661       391.2139 734.2781       110.4438 152.3044 42.29543 154.2985 12.30667 -1.994095      44.04949 
1 1 1 -18 7  43 o 90.10526 27.27593 308.6845       156.4622 0.000000       0.000000 308.6845       156.4622 ?        ?        90.10526 27.27593 0.000000       27.27593 
1 1 1 -18 7  44 f 84.97790 22.19887 257.5613       111.8272 321.1482       345.3311 250.1122       118.1960 86.63554 37.36161 83.03689 23.31758 3.598648       44.04089 
1 1 1 -18 7  45 o 53.06864 22.58427 46.89240       123.1387 -286.6378      362.1103 90.50512       130.9422 61.36855 30.03560 58.82383 24.01126 2.544727       38.45359 
1 1 1 -18 7  46 o 49.27303 21.59254 17.61978       119.2654 282.8648       192.1573 -148.5862      152.1096 82.53443 30.29579 43.05474 20.68446 39.47969       36.68354 
1 1 1 -18 7  47 o 54.45705 23.02500 61.22041       126.5917 -80.82903      177.7290 207.4992       180.3554 50.21598 23.60640 73.49268 28.78155 -23.27671      37.22419 
1 1 1 -18 8  1  o 823.5258 19.89277 20039.13       960.7778 19194.84       1302.702 21046.13       1422.704 802.6783 27.71438 839.9534 28.92394 -37.27502      40.05847 
1 1 1 -18 8  2  o 665.0057 16.86407 13047.74       657.1851 13807.84       948.3925 12345.61       911.5049 682.0826 23.74452 644.7785 24.14716 37.30414       33.86573 
1 1 1 -18 8  3  o 604.0720 16.44117 10764.96       581.9262 0.000000       0.000000 10764.96       581.9262 ?        ?        604.0720 16.44117 0.000000       16.44117 
1 1 1 -18 8  4  o 655.5182 17.11244 12682.83       657.3182 0.000000       0.000000 12682.83       657.3182 ?        ?        655.5182 17.11244 0.000000       17.11244 
1 1 1 -18 8  5  o 336.2934 10.87531 3327.823       214.2096 2785.996       296.6597 3918.075       309.6330 306.9351 16.54127 364.4603 14.51496 -57.52515      22.00677 
1 1 1 -18 8  6  o 414.1493 10.93449 5045.844       265.3541 5146.652       418.2996 4977.959       343.2628 417.2999 17.12824 410.8874 14.26635 6.412476       22.29137 
1 1 1 -18 8  7  o 393.4701 10.86467 4555.098       250.4742 5044.068       404.1539 4250.170       319.1569 413.1453 16.71441 379.5809 14.36261 33.56442       22.03761 
1 1 1 -18 8  8  o 528.1181 10.53094 8199.471       326.1736 8219.547       454.8340 8178.215       468.0064 527.9272 14.70454 526.5004 15.17245 1.426819       21.12882 
1 1 1 -18 8  9  o 228.5605 10.62025 1539.330       141.9703 1651.498       187.2213 1387.559       217.7781 236.4095 13.56018 216.0677 17.33120 20.34180       22.00566 
1 1 1 -18 8  10 o 471.8750 11.89622 6557.196       328.9577 6388.855       610.2341 6626.153       390.5645 463.2411 22.52907 473.9527 14.06657 -10.71164      26.55988 
1 1 1 -18 8  11 o 436.1820 9.451574 5592.614       241.7812 5435.777       337.2984 5758.371       346.7582 429.2867 13.41373 441.8565 13.39667 -12.56989      18.95782 
1 1 1 -18 8  12 o 226.4557 10.06484 1511.188       133.3380 1634.023       177.4327 1351.818       202.1038 235.1366 12.91619 213.2784 16.28065 21.85811       20.78190 
1 1 1 -18 8  13 o 468.2471 9.624600 6448.088       264.3068 6419.765       373.7279 6476.430       373.8445 466.3320 13.67979 468.4001 13.62339 -2.068115      19.30631 
1 1 1 -18 8  14 o 221.3274 9.612482 1443.613       124.4757 1508.999       166.4725 1360.701       187.4609 225.8963 12.61571 214.0852 15.02590 11.81110       19.61973 
1 1 1 -18 8  15 o 208.7860 12.40292 1289.813       151.1870 1238.802       183.3557 1398.158       267.2183 204.0951 15.43269 215.5741 21.41883 -11.47903      26.39951 
1 1 1 -18 8  16 f 529.7946 10.08627 8262.817       313.3925 8446.504       450.2574 8090.207       436.4718 534.3904 14.37959 523.0325 14.24234 11.35791       20.23900 
1 1 1 -18 8  17 o 298.9728 11.20102 2638.190       196.0518 2539.328       249.5321 2797.648       316.9100 292.6476 14.58484 306.4259 17.70982 -13.77832      22.94244 
1 1 1 -18 8  18 f 370.7177 8.735679 4043.467       189.9287 4295.642       274.5287 3811.959       263.0389 381.2882 12.29283 359.1090 12.50855 22.17917       17.53788 
1 1 1 -18 8  19 o 285.5655 9.418322 2403.834       157.5198 2197.241       231.9011 2580.806       214.6331 271.9969 14.59085 295.3417 12.41914 -23.34473      19.16059 
1 1 1 -18 8  20 o 419.6829 9.006740 5185.489       221.6866 5567.360       331.0649 4875.081       298.4846 433.7318 13.02969 405.9807 12.55128 27.75113       18.09164 
1 1 1 -18 8  21 o 346.4943 8.752131 3536.585       177.7103 3627.931       257.3210 3453.290       245.7208 350.1106 12.55229 341.6361 12.28386 8.474457       17.56284 
1 1 1 -18 8  22 o 275.1853 9.074717 2232.478       146.2563 2167.496       207.4160 2296.740       206.2640 270.3608 13.12039 278.4266 12.66488 -8.065826      18.23578 
1 1 1 -18 8  23 o 61.82669 21.52976 103.5970       95.72482 97.28185       128.0032 111.6101       144.1880 65.25191 24.57610 69.38374 26.09407 -4.131821      35.84529 
1 1 1 -18 8  24 o 123.1283 14.75279 455.7355       104.4142 425.0613       140.2186 493.9160       156.4371 117.3747 21.14721 126.5570 21.86731 -9.182297      30.42012 
1 1 1 -18 8  25 o 221.3951 10.24458 1448.172       132.6581 1366.975       181.1692 1542.030       194.7836 214.2719 14.50223 227.5967 14.67086 -13.32478      20.62884 
1 1 1 -18 8  26 o 138.1909 14.13756 571.7125       112.9658 654.4163       154.1503 475.7754       166.0255 147.0070 18.27278 123.5895 23.76866 23.41750       29.98072 
1 1 1 -18 8  27 o 196.8522 10.73846 1147.246       123.5051 1044.021       171.1367 1259.439       178.4157 186.7092 15.77636 205.4022 14.91232 -18.69307      21.70877 
1 1 1 -18 8  28 o 63.36238 22.11033 109.7379       100.9856 83.06291       135.2046 143.3965       151.8751 64.19823 24.98367 74.19006 26.98046 -9.991837      36.77131 
1 1 1 -18 8  29 o 151.3021 14.88795 688.0743       130.3990 767.2579       151.3337 459.7876       256.9557 159.4462 16.41784 118.6668 34.72206 40.77940       38.40791 
1 1 1 -18 8  30 o 164.3076 11.72257 804.1951       112.2196 681.4843       159.1278 925.6029       158.2807 149.3725 18.56395 175.3444 15.55282 -25.97185      24.21798 
1 1 1 -18 8  31 o 234.8029 9.450528 1631.703       129.8739 1675.552       185.3121 1589.375       182.0697 236.8542 13.39510 230.6243 13.52045 6.229889       19.03237 
1 1 1 -18 8  32 o 33.94511 16.27568 -128.2052      93.13038 -194.3149      134.7566 -67.76019      128.8540 40.12002 19.32414 47.05846 21.38900 -6.938438      28.82553 
1 1 1 -18 8  33 o 169.0086 11.33245 852.4562       111.6776 732.5347       159.2617 968.4661       156.6427 154.5693 17.89905 179.0420 15.05719 -24.47267      23.39006 
1 1 1 -18 8  34 o 62.75149 21.36997 114.9729       94.13303 -144.4751      397.8503 130.3585       96.88394 80.21537 36.88128 65.78462 21.66990 14.43075       42.77632 
1 1 1 -18 8  35 o 128.7221 13.70338 504.1932       101.8619 417.8232       409.8491 509.8795       105.1615 110.9616 43.40721 129.3202 14.09342 -18.35856      45.63781 
1 1 1 -18 8  36 o 187.0672 9.894442 1046.192       108.1664 1314.819       438.1295 1028.756       111.6216 184.0708 41.57098 185.3461 10.30928 -1.275360      42.83022 
1 1 1 -18 8  37 o 317.9734 8.249695 3006.099       153.7136 2934.226       466.5035 3014.853       162.8054 294.9372 27.27862 318.1734 8.733036 -23.23624      28.64244 
1 1 1 -18 8  38 o 88.08639 18.89119 252.7502       94.66522 -173.5069      352.8027 285.8206       98.26885 70.05016 33.03195 93.98705 18.48675 -23.93689      37.85326 
1 1 1 -18 8  39 o 72.03090 20.58978 172.5007       91.33337 -443.7650      342.9966 219.5320       94.75443 59.45742 29.12780 81.26825 20.01476 -21.81083      35.34146 
1 1 1 -18 8  40 o 58.35688 21.54234 99.07892       97.38564 209.2966       332.3947 88.72964       101.8552 84.85732 36.62530 57.21151 21.83577 27.64582       42.64051 
1 1 1 -18 8  41 o 131.1069 12.91917 532.4360       98.04762 874.6345       368.7677 506.4052       101.7085 136.2365 41.99894 127.3410 13.84120 8.895508       44.22092 
1 1 1 -18 8  42 o 118.1702 16.16653 448.7930       109.1062 631.3567       361.9547 430.5466       114.4287 112.0606 41.50137 114.8500 17.54413 -2.789406      45.05730 
1 1 1 -18 8  43 o 114.1965 16.40082 422.9508       106.6945 333.3087       367.8703 431.1840       111.4865 88.74583 38.41720 114.8823 17.06462 -26.13645      42.03668 
1 1 1 -18 8  44 o 88.71346 21.68165 278.3827       111.8367 133.4442       352.2533 294.6302       117.9386 76.57482 35.01923 90.89824 22.29543 -14.32342      41.51424 
1 1 1 -18 8  45 o 53.34727 21.73553 67.52573       107.0575 530.9404       340.9813 16.84836       112.7594 99.32133 39.36504 48.33536 21.09255 50.98597       44.65985 
1 1 1 -18 8  46 o 48.66064 21.13617 22.64790       112.1228 143.6913       157.1734 -102.7811      159.9954 66.32714 26.58059 46.74091 22.10201 19.58623       34.56916 
1 1 1 -18 9  1  o 217.2851 15.73904 1398.714       199.2071 1279.615       236.1557 1692.526       370.9184 207.1602 19.67339 236.9670 27.18091 -29.80687      33.55360 
1 1 1 -18 9  2  o 1279.390 43.22865 49911.59       3238.925 0.000000       0.000000 49911.59       3238.925 ?        ?        1279.390 43.22865 0.000000       43.22865 
1 1 1 -18 9  3  o 374.2625 11.24063 4122.053       246.4479 3637.650       350.7782 4594.233       346.3244 350.7224 17.10529 394.6066 14.99198 -43.88425      22.74533 
1 1 1 -18 9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 9  5  o 349.5264 10.91133 3595.274       223.3963 3342.309       322.2957 3829.197       309.9274 336.2264 16.39393 360.2146 14.70150 -23.98813      22.02034 
1 1 1 -18 9  6  o 263.4305 11.50675 2044.885       177.3456 1990.662       242.6445 2107.068       259.8474 259.3101 16.03356 266.7076 16.69616 -7.397461      23.14815 
1 1 1 -18 9  7  o 511.4660 11.67761 7695.570       350.2849 7551.175       557.1059 7789.977       450.4687 505.0135 18.84285 513.8541 14.96363 -8.840637      24.06165 
1 1 1 -18 9  8  o 390.7295 10.56288 4492.372       241.8302 4645.602       376.5143 4384.771       315.5141 396.4195 16.22913 385.5166 13.97799 10.90289       21.41889 
1 1 1 -18 9  9  o 557.9711 12.43124 9165.931       406.7961 9415.948       502.3246 8689.532       693.4003 564.7781 15.17924 540.5867 21.91641 24.19147       26.65968 
1 1 1 -18 9  10 o 477.3389 9.994435 6699.791       279.7922 7140.335       405.0026 6297.573       386.9839 491.9301 14.05236 461.9113 14.30235 30.01886       20.05059 
1 1 1 -18 9  11 o 404.7802 9.290092 4816.693       220.5412 4766.885       306.2122 4870.376       317.9009 401.9916 13.00550 406.2701 13.36034 -4.278503      18.64515 
1 1 1 -18 9  12 o 352.9377 8.982177 3664.232       185.7707 3658.334       258.7536 3670.506       266.8733 352.1278 12.54962 352.6485 12.92552 -0.5206909     18.01560 
1 1 1 -18 9  13 o 304.8118 10.42353 2737.479       186.0620 2490.239       215.2911 3467.091       369.8391 290.3680 12.67284 341.4222 18.53972 -51.05423      22.45711 
1 1 1 -18 9  14 o 268.4308 9.176628 2121.691       144.2537 2049.629       191.7843 2215.576       218.9066 263.3669 12.45183 273.6314 13.68431 -10.26459      18.50158 
1 1 1 -18 9  15 o 640.8255 16.59915 12174.87       623.3189 12462.08       916.6058 11927.78       850.1525 644.3539 24.29889 631.1243 23.00694 13.22961       33.46274 
1 1 1 -18 9  16 o 344.6506 11.69342 3506.218       236.0161 3956.620       324.9250 3003.156       343.3948 365.3342 15.19819 317.3294 18.53221 48.00479       23.96722 
1 1 1 -18 9  17 o 356.3490 11.38061 3747.904       237.5387 3618.504       310.1497 3931.502       369.4350 349.2561 15.17801 363.4341 17.38292 -14.17801      23.07678 
1 1 1 -18 9  18 o 270.2559 11.42042 2158.280       180.6041 2218.088       231.5325 2065.336       288.6282 273.3489 14.49437 262.6223 18.86513 10.72662       23.79034 
1 1 1 -18 9  19 o 481.2689 9.578894 6822.014       270.3670 7248.555       400.4049 6464.557       366.5478 494.7247 13.81372 467.3244 13.38781 27.40027       19.23674 
1 1 1 -18 9  20 o 58.50425 20.84995 88.84178       90.16209 108.4783       117.9268 61.21241       139.8832 65.51631 23.78205 62.54429 25.07209 2.972019       34.55714 
1 1 1 -18 9  21 o 90.04063 18.51440 250.4453       94.50117 236.1186       122.5740 271.4409       148.3841 87.02940 23.47818 93.21323 26.10863 -6.183838      35.11247 
1 1 1 -18 9  22 o 91.10624 18.22553 256.0172       93.97865 301.6669       121.8685 189.0435       147.6129 98.39385 21.70272 80.51523 26.75685 17.87862       34.45196 
1 1 1 -18 9  23 o 184.0683 10.52343 1002.413       113.1288 930.6489       152.6742 1089.790       168.4653 176.5361 14.88479 191.0696 15.15792 -14.53346      21.24428 
1 1 1 -18 9  24 o 451.2977 9.607260 6000.756       254.2806 5722.208       361.0773 6274.813       358.1546 439.3061 14.03265 460.3116 13.28074 -21.00549      19.32080 
1 1 1 -18 9  25 o 561.3705 10.71731 9296.863       352.8466 9184.854       505.3608 9403.406       492.8743 555.9445 15.51474 562.7925 14.94590 -6.847961      21.54268 
1 1 1 -18 9  26 o 361.0038 9.105398 3841.528       192.6258 3819.603       277.2711 3861.980       267.8036 358.9498 13.19350 361.0911 12.66549 -2.141327      18.28888 
1 1 1 -18 9  27 o 164.0590 11.58774 799.5281       110.7761 801.1509       148.1855 797.4727       166.7798 163.3689 15.65771 162.4482 17.79659 0.9206848      23.70406 
1 1 1 -18 9  28 o 343.0386 8.943563 3471.175       179.7767 3422.559       259.2044 3516.238       249.5554 339.5000 13.04249 344.3338 12.37782 -4.833740      17.98101 
1 1 1 -18 9  29 o 427.4464 12.67840 5426.440       317.4799 5367.240       420.6432 5504.803       483.9528 422.9843 16.99119 426.9435 19.37831 -3.959198      25.77245 
1 1 1 -18 9  30 o 68.96508 21.97040 143.3145       100.0816 95.05813       138.3701 196.2559       144.9314 65.81629 25.36643 80.60020 26.50179 -14.78391      36.68516 
1 1 1 -18 9  31 o 134.7420 12.89708 544.8893       100.6740 527.4644       143.8161 561.6326       140.9756 130.7141 19.34327 135.3206 18.22657 -4.606491      26.57762 
1 1 1 -18 9  32 o 108.5756 17.04628 363.0593       104.9738 309.5548       148.6089 416.3432       148.3023 97.92574 25.59511 114.5316 22.87971 -16.60585      34.33062 
1 1 1 -18 9  33 o 79.18298 21.13138 199.5020       99.95506 1114.839       483.2137 158.5849       102.1647 172.2373 46.68062 71.46307 22.11918 100.7743       51.65596 
1 1 1 -18 9  34 o 229.8762 9.247412 1568.722       124.4164 1187.569       467.3714 1597.793       129.0738 176.8495 44.96790 231.9185 9.509865 -55.06897      45.96248 
1 1 1 -18 9  35 o 28.76116 14.23886 -199.0251      89.48957 -1252.408      421.7935 -149.3734      91.57436 53.53847 27.09909 31.93737 15.51335 21.60110       31.22539 
1 1 1 -18 9  36 o 177.7046 10.09254 945.7960       104.7516 1066.853       423.0808 937.8903       108.1179 161.7481 43.61217 176.8166 10.47307 -15.06850      44.85205 
1 1 1 -18 9  37 o 45.14310 19.45849 4.175038       93.58179 -183.1947      386.5982 15.83739       96.45021 73.36122 34.58856 47.13899 20.02146 26.22223       39.96532 
1 1 1 -18 9  38 o 42.77595 18.76770 -8.869056      90.34171 237.3351       359.0210 -25.51240      93.34531 90.74678 38.58883 41.69565 18.64158 49.05113       42.85564 
1 1 1 -18 9  39 o 119.7964 14.93122 449.2573       102.6325 -110.7878      383.5503 492.4503       106.5167 73.80113 34.68900 125.5866 14.74222 -51.78550      37.69164 
1 1 1 -18 9  40 o 41.86119 18.89422 -31.44330      98.46065 0.000000       0.000000 -31.44330      98.46065 ?        ?        41.86119 18.89422 0.000000       18.89422 
1 1 1 -18 9  41 o 44.36650 19.45018 -1.716478      96.85956 -194.1328      336.3044 15.68832       101.1454 64.88145 31.06064 47.13819 20.27304 17.74326       37.09123 
1 1 1 -18 9  42 o 40.89627 18.53703 -32.11537      95.96981 -154.4098      370.0431 -23.29653      99.36985 67.97384 32.55187 42.46605 19.09035 25.50779       37.73680 
1 1 1 -18 9  43 o 81.18621 22.17508 234.0621       108.5465 305.2421       370.6992 227.3867       113.5223 86.65727 38.01878 79.59106 23.01890 7.066208       44.44432 
1 1 1 -18 9  44 o 46.76683 20.36510 12.91376       104.6441 194.6236       403.4904 -0.1895716     108.3515 80.78575 37.14289 46.07712 20.37113 34.70863       42.36245 
1 1 1 -18 9  45 o 107.7822 17.29291 386.2897       105.6159 203.2190       351.6001 404.4469       110.7297 78.38860 35.51120 109.9765 17.77370 -31.58788      39.71083 
1 1 1 -18 9  46 o 116.2354 17.56451 451.1906       116.0047 44.23746       447.1999 480.5499       120.1163 74.63349 35.75281 119.9860 17.59183 -45.35248      39.84640 
1 1 1 -18 10 1  o 342.6735 12.95529 3461.055       259.8934 3437.520       327.3083 3501.212       427.5439 340.9771 16.41568 343.1660 21.34924 -2.188812      26.93074 
1 1 1 -18 10 2  o 1274.587 43.17353 49669.38       3222.627 0.000000       0.000000 49669.38       3222.627 ?        ?        1274.587 43.17353 0.000000       43.17353 
1 1 1 -18 10 3  o 624.2879 24.52338 11600.79       896.1282 0.000000       0.000000 11600.79       896.1282 ?        ?        624.2879 24.52338 0.000000       24.52338 
1 1 1 -18 10 4  o 424.3499 11.14972 5299.144       277.2440 4705.933       403.7054 5828.637       381.4086 398.8639 17.29909 444.5003 14.65081 -45.63644      22.66947 
1 1 1 -18 10 5  o 551.7939 12.21554 8959.853       395.3121 8677.890       631.1948 9141.829       507.0778 541.1127 19.92358 556.5506 15.55053 -15.43787      25.27386 
1 1 1 -18 10 6  o 345.4741 10.68900 3512.944       216.3119 3633.773       316.7319 3407.322       296.1288 350.6699 15.43862 339.6361 14.90304 11.03375       21.45814 
1 1 1 -18 10 7  f 111.9490 19.05779 380.9402       120.6459 451.1929       148.5961 245.0584       206.6601 121.5648 21.63558 93.37473 31.66556 28.19007       38.35109 
1 1 1 -18 10 8  o 133.6184 15.82616 534.2271       121.6151 511.2787       150.4880 577.4288       206.4794 129.8089 20.44268 136.8012 26.69441 -6.992310      33.62283 
1 1 1 -18 10 9  o 420.6133 12.69555 5215.804       312.8150 5179.535       403.2142 5270.635       495.7650 418.3834 16.46492 421.1215 20.13156 -2.738159      26.00718 
1 1 1 -18 10 10 o 158.6357 12.12694 745.3987       111.9691 785.9404       139.3933 671.6653       187.9848 162.5342 14.78499 148.7063 22.23648 13.82788       26.70313 
1 1 1 -18 10 11 o 309.3117 9.171729 2815.337       166.1951 2945.216       227.6495 2667.120       243.1900 315.9364 12.30973 300.3760 13.84201 15.56042       18.52378 
1 1 1 -18 10 12 o 304.9559 8.971145 2736.685       160.2740 2738.811       220.0697 2734.283       233.8839 304.5970 12.34482 304.2108 13.14016 0.3862610      18.02937 
1 1 1 -18 10 13 o 158.1713 11.57213 740.9684       106.6045 778.5137       136.0824 681.3246       171.5166 161.7061 14.50298 150.1173 19.97705 11.58876       24.68641 
1 1 1 -18 10 14 o 113.8760 17.51264 393.2097       113.2184 467.7084       129.0833 144.7881       235.7166 124.2523 18.25805 84.73124 32.98414 39.52109       37.70026 
1 1 1 -18 10 15 o 239.1062 9.521065 1685.126       133.2471 1650.926       180.3750 1726.209       197.6932 236.1262 13.07618 241.2922 14.03057 -5.165985      19.17924 
1 1 1 -18 10 16 o 262.1031 9.055321 2023.772       138.9868 1970.088       190.1236 2085.391       203.6912 258.0429 12.60111 265.4050 13.12691 -7.362061      18.19626 
1 1 1 -18 10 17 o 84.04841 21.16321 219.3873       104.2381 233.9241       119.1266 171.8914       215.3290 86.76033 23.03062 84.92751 31.89909 1.832825       39.34414 
1 1 1 -18 10 18 o 270.3606 8.808692 2153.564       139.4843 2290.289       197.7545 2018.197       196.7703 278.2381 12.14807 261.0062 12.89451 17.23193       17.71564 
1 1 1 -18 10 19 o 216.5685 9.532070 1384.132       120.7725 1446.955       165.8710 1313.247       176.1919 220.8726 12.86059 210.0782 14.38746 10.79442       19.29751 
1 1 1 -18 10 20 o 117.3493 14.35042 413.9247       96.71073 382.0611       127.2687 457.4669       148.7749 111.3622 20.23145 121.7607 21.62621 -10.39846      29.61426 
1 1 1 -18 10 21 o 279.3893 8.770427 2300.322       143.5301 2265.129       202.6676 2335.735       203.2981 276.5320 12.52905 280.8518 12.37294 -4.319885      17.60871 
1 1 1 -18 10 22 o 242.2617 9.179050 1730.981       130.1807 1633.450       179.5873 1838.979       188.9782 234.6211 13.10349 249.0121 12.98505 -14.39104      18.44758 
1 1 1 -18 10 23 o 125.0894 14.95575 470.4677       107.5466 509.1314       140.8488 416.4070       166.5490 129.2361 19.16274 115.1652 25.34716 14.07090       31.77561 
1 1 1 -18 10 24 o 203.3558 10.63447 1222.983       126.3895 1129.455       170.9771 1335.666       187.6704 194.5515 15.10308 211.6344 15.22193 -17.08293      21.44318 
1 1 1 -18 10 25 o 29.44726 14.65633 -250.6319      99.82853 -134.4824      127.5777 -434.0638      160.3258 42.34483 19.93549 36.18460 18.09676 6.160221       26.92427 
1 1 1 -18 10 26 o 141.1178 13.26949 594.8720       108.5325 437.9799       143.6294 803.6918       165.7024 118.9929 21.36645 163.2216 17.58741 -44.22871      27.67386 
1 1 1 -18 10 27 o 322.4783 8.848013 3066.699       167.1807 2965.475       241.4580 3159.909       231.7020 316.0607 13.05439 326.5466 12.11960 -10.48593      17.81297 
1 1 1 -18 10 28 o 167.4097 14.91383 840.6786       144.8954 879.5214       173.3267 750.5438       264.0319 170.5368 17.58162 152.8562 30.52185 17.68063       35.22352 
1 1 1 -18 10 29 o 184.2855 13.74566 1015.813       147.4918 1015.932       179.3461 1015.566       259.2443 183.3976 16.86294 180.2297 25.21540 3.167953       30.33439 
1 1 1 -18 10 30 o 186.0732 13.64632 1036.469       147.8832 1206.981       186.1973 745.1423       243.3815 200.1362 15.99650 152.3487 28.28035 47.78741       32.49102 
1 1 1 -18 10 31 o 70.65896 25.23829 137.4414       132.1827 67.13724       459.0413 143.7979       138.0290 97.77384 42.61393 72.15541 25.78840 25.61843       49.80952 
1 1 1 -18 10 32 o 204.2936 9.687665 1238.030       115.7405 1842.015       497.2462 1203.432       119.0093 232.8887 37.69311 201.3090 10.11254 31.57976       39.02607 
1 1 1 -18 10 33 o 42.57404 19.01266 -33.11120      96.80650 -107.2281      460.0291 -29.67699      99.02387 87.89803 40.12982 43.45728 19.32936 44.44075       44.54241 
1 1 1 -18 10 34 o 42.84517 19.06498 -27.86816      96.43514 -217.8725      419.3674 -17.26002      99.09062 78.46242 36.68450 44.57472 19.60291 33.88770       41.59359 
1 1 1 -18 10 35 o 184.2275 9.821342 1013.447       105.7313 1032.804       421.6544 1012.149       109.2208 161.2932 43.55973 183.9933 10.16114 -22.70006      44.72918 
1 1 1 -18 10 36 o 93.10648 19.01251 279.5548       100.3028 266.8670       381.9675 280.4945       103.9508 95.97659 40.25336 92.99945 19.67395 2.977142       44.80399 
1 1 1 -18 10 37 o 179.4186 10.20078 967.2524       106.8953 1042.312       399.6757 961.4695       110.9366 158.2116 42.27023 178.6942 10.63365 -20.48264      43.58723 
1 1 1 -18 10 38 o 194.3237 10.06258 1135.416       114.2888 909.6969       410.2724 1154.406       118.9992 142.0923 44.38109 195.7812 10.40121 -53.68893      45.58362 
1 1 1 -18 10 39 o 67.94527 25.68982 138.3382       140.1752 0.000000       0.000000 138.3382       140.1752 ?        ?        67.94527 25.68982 0.000000       25.68982 
1 1 1 -18 10 40 o 110.5531 16.79095 392.9264       105.4483 277.5966       394.6818 401.7916       109.4261 90.14547 39.39715 111.5314 17.28828 -21.38598      43.02348 
1 1 1 -18 10 41 o 87.74643 19.93252 260.5457       100.2319 186.1879       374.9716 266.2675       104.0169 83.27715 37.28776 88.43240 20.46204 -5.155258      42.53318 
1 1 1 -18 10 42 o 166.1648 11.76416 849.8320       113.9026 1042.752       389.1553 831.7563       119.1192 144.6153 42.84161 163.8944 12.48672 -19.27914      44.62423 
1 1 1 -18 10 43 o 245.5047 9.380850 1824.559       134.8195 1285.164       442.8880 1879.647       141.5367 153.3351 45.77265 248.9072 9.714395 -95.57213      46.79215 
1 1 1 -18 10 44 o 189.9872 10.84292 1107.406       120.3134 1252.666       424.3402 1094.708       125.4620 151.8650 44.67080 188.4513 11.40513 -36.58633      46.10377 
1 1 1 -18 10 45 o 44.20409 19.78138 -10.98088      105.3697 -3.531933      425.8752 -11.46661      108.7509 72.78452 34.87317 44.77994 20.06338 28.00459       40.23279 
1 1 1 -18 10 46 o 62.35588 22.80711 132.0712       108.7501 -31.21968      438.9988 142.7469       112.2488 71.80973 34.66022 64.13216 23.21333 7.677574       41.71558 
1 1 1 -18 11 1  o 334.1927 10.87673 3287.824       212.8958 3205.734       304.3044 3366.525       297.9563 329.2749 15.80406 337.5710 15.08814 -8.296112      21.84995 
1 1 1 -18 11 2  o 307.2750 12.34947 2783.378       222.0957 2664.041       275.4120 3005.298       375.5723 300.1116 15.70229 317.9320 20.24750 -17.82040      25.62270 
1 1 1 -18 11 3  o 684.3427 25.69160 13974.53       1029.304 0.000000       0.000000 13974.53       1029.304 ?        ?        684.3427 25.69160 0.000000       25.69160 
1 1 1 -18 11 4  o 389.5618 12.41911 4471.807       283.3754 4445.125       369.0630 4510.133       442.3173 387.7254 16.26640 389.8757 19.40548 -2.150269      25.32131 
1 1 1 -18 11 5  o 309.5573 10.57073 2821.295       191.6279 2690.880       267.1976 2959.414       274.9754 301.6645 15.15131 316.4432 14.85805 -14.77875      21.22084 
1 1 1 -18 11 6  o 283.4529 10.60261 2366.336       175.9455 2321.576       244.6487 2414.288       253.2217 280.1525 14.94418 285.6701 15.16859 -5.517609      21.29354 
1 1 1 -18 11 7  o 172.8160 12.76137 884.4125       128.4273 948.6705       161.1861 772.7014       212.5260 178.6115 15.54208 159.5171 23.41364 19.09448       28.10257 
1 1 1 -18 11 8  o 244.5046 10.38017 1761.609       148.5090 1857.679       203.1982 1651.452       217.5861 250.6257 13.87850 235.9501 15.81524 14.67563       21.04126 
1 1 1 -18 11 9  o 309.7171 11.98941 2829.214       217.3665 2975.955       268.2599 2548.689       370.9083 317.2498 14.45595 291.9514 21.82017 25.29831       26.17430 
1 1 1 -18 11 10 o 277.4996 9.929787 2268.047       161.3438 2248.511       225.4621 2288.552       230.9873 275.7061 13.98938 278.1184 14.20854 -2.412323      19.93954 
1 1 1 -18 11 11 o 62.42105 21.35253 106.7338       93.99878 80.90181       111.6511 169.6082       174.1889 60.76585 22.93817 80.81160 28.95986 -20.04575      36.94365 
1 1 1 -18 11 12 o 404.7652 9.220247 4818.701       218.8750 4801.699       310.4496 4835.505       308.6306 403.2172 13.14566 404.6625 13.02150 -1.445374      18.50319 
1 1 1 -18 11 13 o 231.8975 9.531714 1584.907       129.3573 1701.454       174.7839 1443.751       192.3532 239.8683 12.46727 220.4773 14.96464 19.39093       19.47750 
1 1 1 -18 11 14 o 160.3161 11.86571 761.8936       110.7725 778.8776       145.1613 738.2148       171.3997 161.4931 15.51738 156.4474 19.07448 5.045700       24.58912 
1 1 1 -18 11 15 o 391.7606 11.91609 4531.077       273.4639 4968.707       382.4510 4073.268       391.1692 409.1782 15.96788 369.7797 18.09220 39.39853       24.13091 
1 1 1 -18 11 16 o 229.6651 11.46538 1559.468       153.9425 1688.224       193.2331 1335.778       254.6956 238.5399 13.87228 210.4395 20.91332 28.10039       25.09596 
1 1 1 -18 11 17 o 354.1549 11.28697 3703.621       234.1348 4000.353       320.4735 3363.913       342.8958 367.1467 14.91444 335.8680 17.46779 31.27872       22.96877 
1 1 1 -18 11 18 o 556.7324 11.72470 9149.872       382.8236 8862.141       629.5475 9318.695       482.2271 544.2491 19.75611 560.6010 14.67983 -16.35187      24.61303 
1 1 1 -18 11 19 f 230.4113 9.242160 1565.984       124.6366 1560.204       170.0775 1572.687       183.1760 229.3900 12.69164 230.1144 13.63406 -0.7243958     18.62701 
1 1 1 -18 11 20 o 198.6689 9.884417 1166.038       114.8062 1178.695       156.9629 1151.477       168.3562 199.1091 13.52197 196.5380 14.71280 2.571060       19.98275 
1 1 1 -18 11 21 o 34.63585 16.48116 -115.5244      91.72635 -110.1023      115.9902 -124.5760      149.8648 41.28462 19.29921 47.92329 22.24552 -6.638664      29.45035 
1 1 1 -18 11 22 o 113.5813 16.41104 391.0862       106.1526 344.5547       135.6386 464.6312       170.5242 105.1006 22.67214 121.9398 24.69241 -16.83922      33.52225 
1 1 1 -18 11 23 o 257.3317 9.443259 1953.293       142.2750 1985.216       196.8225 1918.357       205.8987 258.7505 13.01185 254.1540 13.86610 4.596497       19.01517 
1 1 1 -18 11 24 o 284.5281 9.228980 2387.049       153.7993 2386.261       215.4866 2387.866       219.5814 283.7211 12.98467 283.7582 13.23104 -0.3707886E-01 18.53813 
1 1 1 -18 11 25 o 239.3836 9.589979 1691.580       134.3639 1642.107       189.2189 1741.898       190.8299 235.0199 13.78864 242.1481 13.49071 -7.128235      19.29057 
1 1 1 -18 11 26 o 136.1532 13.68006 555.0311       107.7574 529.7173       142.3617 588.9918       164.8929 131.7304 18.97354 138.4801 20.95780 -6.749756      28.27056 
1 1 1 -18 11 27 o 194.8427 10.58886 1124.608       120.5449 1103.895       166.9765 1147.153       174.2056 192.0757 14.94029 195.7313 15.29722 -3.655533      21.38264 
1 1 1 -18 11 28 o 164.4367 13.34349 808.2983       127.5775 804.2798       148.6535 819.5327       248.5527 163.4311 15.70221 160.9628 27.30424 2.468307       31.49731 
1 1 1 -18 11 29 o 182.4331 13.62004 995.7538       144.6729 1137.494       182.5789 756.6002       237.1608 194.2915 16.16951 154.1993 27.21950 40.09225       31.65998 
1 1 1 -18 11 30 o 177.9392 17.89274 963.0394       184.1915 1195.252       465.8906 920.0193       200.5288 184.1031 43.79033 173.0640 20.13232 11.03914       48.19650 
1 1 1 -18 11 31 o 144.2425 12.91476 624.3243       108.0973 1170.124       494.9413 596.9854       110.7715 179.0302 46.66918 140.8549 13.57733 38.17528       48.60408 
1 1 1 -18 11 32 o 176.1502 10.90976 924.6758       112.1534 1688.103       525.5599 888.2516       114.7977 217.8387 42.66451 172.5027 11.41129 45.33603       44.16421 
1 1 1 -18 11 33 o 136.6573 13.78559 565.3895       108.9777 699.3022       494.6673 558.5587       111.7226 135.5195 48.77336 135.6759 14.25325 -0.1564484     50.81334 
1 1 1 -18 11 34 o 78.73007 20.50236 199.8283       95.58575 -18.58371      456.5664 209.8403       97.75203 88.98543 40.37310 80.63655 20.59834 8.348877       45.32416 
1 1 1 -18 11 35 o 43.46686 19.17873 -17.08609      95.58054 -340.7823      423.0897 0.3224302      98.11707 72.67972 34.80586 45.94884 19.86558 26.73088       40.07604 
1 1 1 -18 11 36 o 165.0380 10.86859 820.2794       104.6125 351.6295       409.6324 852.9771       108.2004 101.6985 42.09028 168.2440 11.02653 -66.54556      43.51064 
1 1 1 -18 11 37 o 60.94003 21.83060 109.4718       98.97289 674.3289       417.2697 75.79854       101.8803 122.7409 44.70868 55.98499 21.71519 66.75589       49.70327 
1 1 1 -18 11 38 o 121.1540 14.65316 457.5143       102.0036 324.0857       427.2470 465.5793       105.0412 96.93652 41.67793 122.0681 14.98672 -25.13157      44.29054 
1 1 1 -18 11 39 o 49.92339 20.61313 40.78123       97.93122 -245.1416      384.3009 60.63797       101.2747 68.31402 32.83463 53.12094 21.32000 15.19308       39.14914 
1 1 1 -18 11 40 o 121.7102 14.93199 467.2200       104.3542 634.9235       376.1044 453.2326       108.6189 114.1841 42.30166 119.2960 15.92212 -5.111931      45.19894 
1 1 1 -18 11 41 o 82.84047 25.48420 248.9864       135.8613 995.9658       398.9781 151.0084       144.4971 141.0487 43.72027 68.65447 26.05426 72.39425       50.89486 
1 1 1 -18 11 42 o 80.37865 21.53991 226.4661       103.5904 286.9723       375.6419 221.4860       107.7693 86.45930 38.08961 79.12775 22.28146 7.331543       44.12802 
1 1 1 -18 11 43 o 39.35944 18.29229 -61.58139      101.8038 -574.7526      391.6070 -24.38694      105.4286 57.49913 28.68353 43.28582 19.54299 14.21330       34.70841 
1 1 1 -18 11 44 o 103.4896 18.74569 362.4839       109.5876 825.6785       426.6638 329.7683       113.3916 114.6643 44.44881 97.33509 20.51178 17.32924       48.95334 
1 1 1 -18 11 45 o 222.5591 10.50416 1518.969       136.7194 881.5313       428.1095 1591.363       144.2743 116.3859 44.68013 227.4843 10.84525 -111.0984      45.97753 
1 1 1 -18 11 46 o 42.19960 19.70459 -66.89191      120.3541 -260.5588      411.0950 -48.73636      125.8691 63.99705 31.46011 44.49856 20.56163 19.49849       37.58350 
1 1 1 -18 12 1  o 222.4295 12.93364 1462.068       167.9911 1319.308       200.6474 1796.735       307.2106 210.7448 16.36213 245.1112 21.59137 -34.36639      27.09070 
1 1 1 -18 12 2  o 1110.132 37.99270 37565.37       2469.930 0.000000       0.000000 37565.37       2469.930 ?        ?        1110.132 37.99270 0.000000       37.99270 
1 1 1 -18 12 3  o 453.0920 10.93978 6039.357       290.7002 5522.780       432.7896 6464.008       392.3964 431.9468 17.11815 468.0010 14.31326 -36.05420      22.31368 
1 1 1 -18 12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 12 5  o 310.9078 11.57400 2849.096       210.6720 2853.106       267.1902 2842.506       342.5170 310.6407 14.70776 309.2208 18.97842 1.419891       24.01039 
1 1 1 -18 12 6  o 213.5087 11.10555 1345.108       138.5833 1342.327       179.2492 1349.239       218.5010 212.8311 14.44618 212.8337 17.66399 -0.2593994E-02 22.81904 
1 1 1 -18 12 7  o 121.6416 15.60942 444.0503       108.7941 355.7357       131.0606 639.7746       195.1094 107.5520 21.52975 144.6827 23.82219 -37.13071      32.10960 
1 1 1 -18 12 8  o 227.5327 10.22781 1526.131       136.1337 1530.855       184.4773 1520.482       201.7204 227.3827 13.90001 226.3808 15.28314 1.001846       20.65876 
1 1 1 -18 12 9  o 379.4480 20.01317 4288.588       443.7928 0.000000       0.000000 4288.588       443.7928 ?        ?        379.4480 20.01317 0.000000       20.01317 
1 1 1 -18 12 10 o 77.99616 20.51121 187.4847       95.05605 217.6558       114.3108 119.8600       171.1372 84.00646 22.67744 74.37982 28.32439 9.626640       36.28412 
1 1 1 -18 12 11 o 303.4563 9.828218 2712.464       174.6820 2866.299       261.9370 2589.251       234.4222 311.1657 14.39237 295.8753 13.54544 15.29034       19.76409 
1 1 1 -18 12 12 o 359.0646 9.006275 3794.504       189.5071 3764.515       261.2114 3827.828       275.3544 357.0396 12.49381 359.9153 13.06660 -2.875671      18.07848 
1 1 1 -18 12 13 o 382.8506 9.150583 4312.303       205.4606 4342.068       288.9832 4281.877       292.1735 383.3419 12.87218 380.6193 13.10836 2.722656       18.37177 
1 1 1 -18 12 14 o 249.5810 11.24983 1839.829       164.2442 1996.850       210.7745 1597.084       262.0678 259.5552 13.89710 230.7711 19.54711 28.78404       23.98372 
1 1 1 -18 12 15 o 314.5225 11.14347 2920.221       205.2276 3070.708       272.6658 2723.554       311.7081 321.8073 14.48435 302.2058 17.66413 19.60153       22.84333 
1 1 1 -18 12 16 o 174.7629 12.18118 906.0672       124.0686 991.6100       150.4778 724.4587       219.2547 182.5069 14.16955 153.0739 25.30639 29.43297       29.00327 
1 1 1 -18 12 17 o 250.5086 10.74316 1853.830       157.4688 2018.530       203.2091 1606.279       249.1315 260.9151 13.32397 231.4314 18.50922 29.48376       22.80613 
1 1 1 -18 12 18 o 471.0941 10.53415 6543.971       291.0433 6461.868       476.6605 6592.776       367.5030 465.5646 17.48845 471.8947 13.29224 -6.330170      21.96656 
1 1 1 -18 12 19 o 104.2966 17.53793 332.3966       103.4721 335.5630       119.6791 323.0229       205.9161 104.1846 20.31688 102.0256 31.37166 2.159073       37.37589 
1 1 1 -18 12 20 o 221.1868 9.424023 1443.787       121.9690 1527.838       164.6315 1341.524       181.5938 227.0262 12.41200 212.2204 14.68075 14.80582       19.22452 
1 1 1 -18 12 21 f 165.7924 11.55215 815.4167       111.6228 891.1929       146.1846 709.4559       172.8655 172.7981 14.56022 152.8291 19.74758 19.96892       24.53501 
1 1 1 -18 12 22 o 161.2549 12.18005 772.5767       114.3378 753.6104       149.6913 799.1396       177.1511 158.4247 16.34541 162.5607 18.93546 -4.135971      25.01447 
1 1 1 -18 12 23 o 225.4082 10.13667 1500.802       133.6606 1454.943       178.8997 1558.744       201.0892 221.2307 13.85800 228.7375 15.07399 -7.506836      20.47607 
1 1 1 -18 12 24 o 101.5236 18.75405 317.2148       107.5515 332.4040       139.1253 294.6561       169.5487 102.9886 23.54784 97.04476 28.15061 5.943840       36.70092 
1 1 1 -18 12 25 o 71.75681 22.22571 155.2996       103.1303 122.1981       138.1111 197.0190       155.0510 69.89781 25.67981 82.05918 27.42641 -12.16137      37.57207 
1 1 1 -18 12 26 o 195.9606 10.61513 1137.274       121.5403 1250.627       170.7133 1020.758       173.0790 204.7226 14.30849 184.3930 16.16821 20.32961       21.59037 
1 1 1 -18 12 27 o 183.9422 10.99322 1003.882       118.0514 848.1937       158.7118 1196.688       176.6201 167.7926 16.33473 199.8874 15.17972 -32.09476      22.29904 
1 1 1 -18 12 28 o 258.4844 10.73769 1980.022       162.4235 1892.049       192.3053 2198.971       303.3809 252.0331 13.05467 269.3435 19.33437 -17.31046      23.32900 
1 1 1 -18 12 29 o 230.2685 8.370456 1566.005       112.8524 1597.681       454.0816 1563.920       116.5079 219.4595 36.56599 230.0593 8.650465 -10.59978      37.57529 
1 1 1 -18 12 30 o 195.4796 11.58919 1137.872       132.2671 0.000000       0.000000 1137.872       132.2671 ?        ?        195.4796 11.58919 0.000000       11.58919 
1 1 1 -18 12 31 o 179.1974 11.00916 956.3103       115.1423 1290.805       504.4835 937.9280       118.2639 187.9542 46.11804 177.3542 11.43086 10.59995       47.51356 
1 1 1 -18 12 32 o 310.9615 8.364932 2859.676       152.4141 2631.191       537.0672 2879.689       158.9490 281.5556 33.15993 311.9422 8.696754 -30.38654      34.28140 
1 1 1 -18 12 33 f 100.8243 18.21317 319.2762       103.7339 751.2667       473.4031 297.4879       106.3177 138.2559 47.89380 96.85023 19.39467 41.40563       51.67175 
1 1 1 -18 12 34 o 142.9187 12.30650 617.2701       102.1476 308.8503       473.0507 632.3542       104.6157 105.0558 44.46826 144.6144 12.45614 -39.55857      46.17989 
1 1 1 -18 12 35 o 116.0572 14.97380 416.8835       99.54616 35.57909       414.7707 440.1896       102.5433 85.76357 38.73810 119.2961 14.98639 -33.53251      41.53592 
1 1 1 -18 12 36 o 169.2407 11.12239 864.3326       109.7841 0.000000       0.000000 864.3326       109.7841 ?        ?        169.2407 11.12239 0.000000       11.12239 
1 1 1 -18 12 37 o 44.76179 19.44932 -0.4000647     95.00752 111.1868       409.9040 -6.735058      97.66717 86.40904 38.81466 44.63533 19.55056 41.77372       43.46035 
1 1 1 -18 12 38 o 194.3941 10.09384 1138.470       114.6833 481.4474       406.7918 1195.199       119.5318 105.5272 42.59695 199.0965 10.27164 -93.56935      43.81789 
1 1 1 -18 12 39 o 76.27989 21.08795 197.8161       97.49365 564.9098       379.0580 171.8120       100.8877 109.4689 42.03804 71.21843 21.96969 38.25045       47.43274 
1 1 1 -18 12 40 o 135.1180 13.65929 569.2270       106.7562 321.2869       385.0837 589.8691       111.1113 91.36875 39.42846 137.3723 13.98625 -46.00352      41.83561 
1 1 1 -18 12 41 o 119.5527 15.64549 457.3435       107.0684 277.0912       378.3530 473.0348       111.6314 87.01084 38.28364 121.3342 16.08317 -34.32340      41.52475 
1 1 1 -18 12 42 o 69.66113 22.82408 169.8353       107.5366 142.6774       366.6810 172.3909       112.4825 78.48150 35.82955 70.08026 23.35874 8.401237       42.77134 
1 1 1 -18 12 43 f 101.6187 18.77039 348.2881       107.7459 915.5227       408.7029 305.9206       111.6973 125.6891 44.43112 93.66147 20.86870 32.02762       49.08796 
1 1 1 -18 12 44 o 90.25027 21.48525 289.8500       112.0758 4.114398       413.9797 312.4489       116.4236 72.85928 34.76535 93.69912 21.62503 -20.83984      40.94230 
1 1 1 -18 12 45 o 39.07720 18.69962 -121.1369      121.6173 346.7162       432.6743 -161.2718      126.7265 85.42496 38.96921 37.86949 18.36085 47.55548       43.07807 
1 1 1 -18 13 1  o 506.9637 13.77259 7583.571       409.1104 7210.304       535.1217 8108.636       634.6712 493.0768 18.53794 522.1965 20.76496 -29.11966      27.83593 
1 1 1 -18 13 2  o 334.9639 11.58958 3306.957       227.3326 3249.158       288.7332 3401.226       368.7392 331.4716 14.89053 338.3586 18.65415 -6.887024      23.86850 
1 1 1 -18 13 3  o 421.6642 10.92878 5235.653       270.0367 5242.051       407.8274 5230.658       360.3446 420.7879 16.55813 420.7700 14.62458 0.1794434E-01  22.09186 
1 1 1 -18 13 4  o 491.8630 11.32120 7121.609       326.5781 6776.400       504.3820 7370.801       428.5346 478.0601 18.02208 499.5399 14.64314 -21.47986      23.22104 
1 1 1 -18 13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 13 6  o 589.8297 12.57080 10252.72       434.8505 10724.49       738.9182 10002.77       537.8485 600.2192 21.02360 581.5538 15.78415 18.66534       26.28938 
1 1 1 -18 13 7  f 200.0458 11.39376 1182.235       133.1213 1295.416       175.0576 1027.041       204.9896 208.9941 14.36970 185.0882 19.16117 23.90587       23.95076 
1 1 1 -18 13 8  o 224.1532 10.37869 1481.878       136.0684 1555.852       180.3119 1384.033       207.3730 229.2499 13.47047 215.6412 16.52307 13.60869       21.31819 
1 1 1 -18 13 9  o 704.1046 17.68119 14706.58       729.5509 0.000000       0.000000 14706.58       729.5509 ?        ?        704.1046 17.68119 0.000000       17.68119 
1 1 1 -18 13 10 o 182.4948 11.16636 984.6819       118.9402 1077.118       151.5083 836.2167       192.0113 190.5289 13.64935 166.4986 20.06793 24.03024       24.26987 
1 1 1 -18 13 11 o 434.5664 10.48536 5560.955       267.2329 5391.122       414.9255 5681.335       349.3318 426.2194 16.63109 438.4143 13.60281 -12.19489      21.48557 
1 1 1 -18 13 12 o 139.1097 13.02531 576.1884       105.0307 558.0739       133.9892 605.0585       169.1532 136.1208 17.16486 140.9275 21.11546 -4.806717      27.21204 
1 1 1 -18 13 13 o 225.1319 9.292268 1494.118       122.4263 1428.311       157.1494 1595.721       195.2669 219.6792 12.24604 231.8334 14.43316 -12.15428      18.92833 
1 1 1 -18 13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 13 15 o 255.7298 10.84751 1931.617       162.3208 2197.154       211.9654 1555.088       252.4071 272.2903 13.31377 227.6075 19.08439 44.68283       23.26951 
1 1 1 -18 13 16 o 242.9870 10.48725 1743.735       149.0979 1691.356       186.7446 1835.831       247.6212 238.7668 13.38958 247.8926 17.13781 -9.125824      21.74823 
1 1 1 -18 13 17 o 192.0682 11.22350 1092.180       125.8745 1199.128       155.4863 888.7932       214.4203 200.9145 13.26994 170.7770 21.91282 30.13753       25.61763 
1 1 1 -18 13 18 o 207.5517 10.93691 1274.367       132.6588 1154.786       148.5947 1743.892       294.4439 197.1953 12.91977 240.2880 21.10821 -43.09273      24.74827 
1 1 1 -18 13 19 o 352.8324 9.540990 3670.330       197.2485 3453.755       295.8688 3843.598       264.6393 340.9494 14.83198 360.3696 12.54060 -19.42020      19.42303 
1 1 1 -18 13 20 o 118.1973 15.04082 420.8525       101.9045 415.5501       127.7430 430.1321       168.9920 116.4542 19.38501 117.0802 25.34715 -0.6259232     31.91014 
1 1 1 -18 13 21 o 26.22976 13.22930 -307.2932      95.33446 -270.3333      116.6550 -381.6154      165.4234 32.70393 16.20257 38.88287 19.26920 -6.178932      25.17589 
1 1 1 -18 13 22 o 306.3050 9.279332 2765.892       166.5023 2620.697       232.2395 2919.457       238.8387 297.3013 13.35361 313.9096 13.00142 -16.60837      18.63748 
1 1 1 -18 13 23 o 372.5035 9.361491 4090.368       204.3533 3977.147       294.0203 4196.173       284.2270 366.2093 13.71404 376.4139 12.89409 -10.20462      18.82372 
1 1 1 -18 13 24 o 222.4924 10.23533 1463.155       133.1995 1595.942       184.9911 1320.195       191.9466 231.6909 13.67499 210.1796 15.68491 21.51129       20.80918 
1 1 1 -18 13 25 o 165.6324 11.76565 815.2311       113.5468 704.3410       153.3829 949.6835       168.8944 152.6375 17.44733 177.7984 16.38112 -25.16092      23.93220 
1 1 1 -18 13 26 o 88.29769 20.45360 243.9149       103.8361 223.0465       140.7383 268.8448       153.8256 84.94433 25.90104 92.45987 26.81151 -7.515541      37.27896 
1 1 1 -18 13 27 o 175.0103 11.90456 911.6118       121.4604 886.2419       176.0637 934.6500       167.7776 170.9917 17.81784 176.0611 16.43877 -5.069397      24.24270 
1 1 1 -18 13 28 o 118.4303 17.40443 429.5644       117.2820 735.5545       425.6506 404.4250       122.0047 145.0002 45.19233 114.4401 18.83259 30.56010       48.95930 
1 1 1 -18 13 29 o 240.2225 11.47188 1715.322       161.1543 0.000000       0.000000 1715.322       161.1543 ?        ?        240.2225 11.47188 0.000000       11.47188 
1 1 1 -18 13 30 o 227.7967 11.08555 1542.609       147.6553 0.000000       0.000000 1542.609       147.6553 ?        ?        227.7967 11.08555 0.000000       11.08555 
1 1 1 -18 13 31 o 220.2956 9.844383 1440.289       126.8663 1543.672       492.0748 1432.927       131.3053 209.0996 41.59034 219.6285 10.22201 -10.52884      42.82809 
1 1 1 -18 13 32 o 290.2898 8.552354 2494.674       145.4435 2040.719       534.2223 2531.016       151.1531 241.2938 39.08672 292.3082 8.827211 -51.01439      40.07108 
1 1 1 -18 13 33 o 83.76505 20.87204 226.5666       102.1603 270.2447       482.4053 224.5158       104.5312 104.7841 44.65031 83.29613 21.31277 21.48801       49.47610 
1 1 1 -18 13 34 o 146.6451 12.02179 649.9045       102.4853 38.31104       464.9042 681.1433       105.0700 90.24320 40.86252 150.1452 12.03274 -59.90200      42.59733 
1 1 1 -18 13 35 o 93.96647 22.68684 294.2078       123.5956 -122.7747      477.0383 324.2129       127.9652 83.17203 38.96379 98.77036 22.58384 -15.59834      45.03562 
1 1 1 -18 13 36 o 34.17369 16.29918 -107.2426      90.78977 593.0102       444.6490 -137.7067      92.74363 116.2354 45.28678 32.68931 15.81529 83.54610       47.96891 
1 1 1 -18 13 37 o 157.2144 11.49801 750.2821       105.2815 1280.832       442.5654 718.4566       108.3932 171.7862 43.80013 153.5308 12.13670 18.25542       45.45053 
1 1 1 -18 13 38 o 111.1109 16.22566 392.6669       102.6145 -9.576383      365.6824 427.0478       106.9099 76.00137 35.09294 115.9849 16.15467 -39.98349      38.63273 
1 1 1 -18 13 39 o 81.71172 20.42141 226.1802       97.58382 -447.0455      360.2038 279.5045       101.3748 59.86089 29.43113 91.52201 19.48472 -31.66112      35.29654 
1 1 1 -18 13 40 o 100.9573 18.22141 335.8100       103.9184 173.2114       374.3673 349.3846       108.1693 82.56077 37.08936 102.7750 18.63183 -20.21419      41.50621 
1 1 1 -18 13 41 o 160.9300 12.48443 802.1295       116.9092 547.4534       393.3042 826.8128       122.4436 102.6310 41.71825 163.1059 12.90528 -60.47495      43.66874 
1 1 1 -18 13 42 o 197.8039 10.60870 1195.750       122.6184 1345.590       427.9846 1182.351       127.9836 162.1132 43.93002 196.2645 11.16496 -34.15137      45.32662 
1 1 1 -18 13 43 o 64.47078 22.94617 141.3535       109.1688 -186.0188      393.5484 168.6443       113.6281 66.69391 32.34094 68.98524 23.47904 -2.291336      39.96500 
1 1 1 -18 13 44 o 47.78982 21.35076 -3.857784      122.2137 209.3235       423.4280 -23.23118      127.6462 80.14310 37.26662 47.03014 21.34158 33.11296       42.94490 
1 1 1 -18 13 45 o 155.9805 15.00653 783.5591       135.5860 547.1244       440.9358 808.2495       142.4897 94.15953 41.38232 157.8855 15.59161 -63.72600      44.22211 
1 1 1 -18 14 1  o 527.6763 14.06450 8222.261       434.8654 7860.549       572.1669 8716.975       669.1420 514.4521 18.99651 540.9842 21.13096 -26.53210      28.41452 
1 1 1 -18 14 2  o 743.0499 27.35602 16599.82       1190.089 0.000000       0.000000 16599.82       1190.089 ?        ?        743.0499 27.35602 0.000000       27.35602 
1 1 1 -18 14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 5  o 163.7250 12.00095 794.0305       114.4336 832.0369       138.8038 713.3857       202.1908 167.2769 14.28523 152.9475 23.27371 14.32935       27.30812 
1 1 1 -18 14 6  o 230.0918 10.57750 1561.699       142.3545 1747.006       186.8262 1305.182       219.8114 243.0098 13.15789 209.0397 18.10803 33.97009       22.38372 
1 1 1 -18 14 7  o 61.63064 21.53699 101.1123       95.83623 142.7376       113.9130 0.2807421      177.2935 70.79252 23.50431 63.11392 26.98608 7.678600       35.78689 
1 1 1 -18 14 8  o 86.43564 19.10074 230.4982       94.24445 238.2690       110.1703 209.2971       181.9756 87.69004 21.57276 86.49621 29.70571 1.193832       36.71258 
1 1 1 -18 14 9  o 288.9866 9.889701 2460.798       167.3674 2595.491       241.3262 2335.974       232.3174 296.1061 13.93563 280.8372 14.15071 15.26892       19.86063 
1 1 1 -18 14 10 o 430.7113 10.34451 5462.696       261.3045 5248.725       400.4797 5621.321       344.8167 420.5989 16.26602 436.0778 13.49886 -15.47888      21.13771 
1 1 1 -18 14 11 o 393.6858 10.06198 4566.500       232.1280 4388.451       347.5313 4709.917       311.9077 384.6934 15.43517 399.1108 13.34422 -14.41745      20.40374 
1 1 1 -18 14 12 o 197.9163 10.12401 1156.606       117.1222 1175.031       151.6897 1129.405       184.3052 199.0386 13.06703 194.4996 16.30728 4.538956       20.89676 
1 1 1 -18 14 13 o 285.4329 9.571317 2401.498       159.9969 2461.177       230.8863 2346.365       221.9195 288.1862 13.69997 281.4153 13.48537 6.770966       19.22354 
1 1 1 -18 14 14 o 179.9251 11.51157 959.0085       120.8350 989.9112       148.5302 898.5251       207.7948 182.3792 13.99327 172.0834 21.02562 10.29581       25.25645 
1 1 1 -18 14 15 o 260.2066 10.76519 1999.911       163.9274 2281.464       216.3791 1620.622       251.1426 277.4288 13.33790 232.4548 18.57623 44.97404       22.86867 
1 1 1 -18 14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 14 17 o 118.0803 15.01324 419.9416       101.6212 484.6171       118.7377 242.8651       196.4714 126.6907 16.36234 91.28403 30.87571 35.40665       34.94332 
1 1 1 -18 14 18 o 148.8294 12.20752 658.7939       105.6176 586.2401       132.8074 783.6397       174.2125 139.4772 16.55834 160.9840 18.80600 -21.50677      25.05682 
1 1 1 -18 14 19 o 451.1104 9.554355 5995.395       252.7753 6036.731       362.4033 5956.232       352.7488 451.3483 13.70671 448.4203 13.42825 2.928040       19.18833 
1 1 1 -18 14 20 o 272.7047 9.372521 2193.091       149.6765 2088.412       203.8919 2315.432       220.4223 265.3834 13.14101 279.3860 13.49231 -14.00259      18.83424 
1 1 1 -18 14 21 o 258.4173 9.843203 1970.742       148.9066 2000.619       206.6358 1938.466       214.7711 259.6238 13.61858 255.3667 14.39872 4.257095       19.81890 
1 1 1 -18 14 22 o 166.3409 11.99726 821.6356       116.2529 714.8264       148.3176 991.7924       187.2029 154.1542 16.67029 181.5773 17.80804 -27.42310      24.39313 
1 1 1 -18 14 23 o 373.3367 9.294949 4106.553       203.5159 4164.736       297.9944 4055.692       278.6121 374.7313 13.58177 370.0033 12.85892 4.727966       18.70338 
1 1 1 -18 14 24 o 178.8082 11.49835 948.6979       119.9404 807.6351       160.5823 1126.690       180.3815 163.7368 16.96816 193.9217 16.00274 -30.18494      23.32394 
1 1 1 -18 14 25 o 257.4529 9.381537 1957.158       141.4150 2139.430       203.0283 1785.399       197.0862 268.3705 12.93756 244.8907 13.77807 23.47980       18.90015 
1 1 1 -18 14 26 o 136.3387 13.46016 557.2027       106.2240 547.9640       448.9307 557.7506       109.3286 130.6419 46.52824 136.3158 13.86819 -5.673920      48.55104 
1 1 1 -18 14 27 o 196.5101 10.35844 1144.973       118.9579 568.2469       409.0862 1198.245       124.3306 130.4746 44.54684 200.9935 10.58471 -70.51889      45.78709 
1 1 1 -18 14 28 o 146.6611 12.50105 643.4987       106.5016 956.0051       441.3562 624.1769       109.7446 164.1438 44.66589 144.2832 13.11238 19.86060       46.55079 
1 1 1 -18 14 29 o 254.1668 10.40002 1915.960       154.6982 3018.461       506.0641 1802.316       162.4757 308.8780 28.24865 246.2547 11.27998 62.62328       30.41750 
1 1 1 -18 14 30 o 192.8280 12.22684 1110.693       137.5601 1853.960       486.4519 1046.091       143.4137 234.7312 36.52358 186.8374 13.17252 47.89378       38.82637 
1 1 1 -18 14 31 o 243.0365 9.446253 1751.908       134.3859 2154.423       532.6757 1724.547       138.8782 250.7121 37.36707 241.0104 9.846074 9.701614       38.64250 
1 1 1 -18 14 32 o 127.8868 14.21965 497.7362       104.8499 289.9708       479.0061 508.1918       107.4557 107.0168 44.99266 129.1687 14.43103 -22.15194      47.25033 
1 1 1 -18 14 33 o 107.6380 15.66196 359.0537       95.97144 251.2763       517.9135 362.8861       97.66284 104.0835 45.31546 108.1459 15.87005 -4.062485      48.01405 
1 1 1 -18 14 34 o 80.65923 20.75228 212.9876       98.73058 157.7719       455.5603 215.7088       101.1342 94.13286 41.68632 81.09044 21.07508 13.04242       46.71090 
1 1 1 -18 14 35 o 178.1867 10.51435 954.7384       109.3889 728.5231       468.3959 967.7881       112.4999 126.5694 47.14700 179.3051 10.74748 -52.73576      48.35646 
1 1 1 -18 14 36 o 143.4723 12.42640 628.0445       103.5297 373.1638       424.0046 644.2038       106.7612 101.1820 42.42187 145.2116 12.66259 -44.02956      44.27139 
1 1 1 -18 14 37 o 73.09791 21.26274 178.7057       96.60873 779.7917       398.8827 141.2487       99.57335 129.6033 43.99234 66.11385 21.97593 63.48950       49.17588 
1 1 1 -18 14 38 o 119.6383 15.02305 450.6806       103.0910 714.0875       369.3919 428.4316       107.3566 123.0110 42.32026 115.9647 16.22904 7.046303       45.32533 
1 1 1 -18 14 39 o 85.31250 20.86643 248.2357       103.5248 781.8885       390.7120 207.9411       107.3621 125.0478 43.49957 77.49287 22.37768 47.55495       48.91802 
1 1 1 -18 14 40 o 82.99255 21.11871 237.9634       103.0293 922.2177       376.9739 182.7261       107.1072 136.8246 42.51175 72.47729 22.68202 64.34728       48.18426 
1 1 1 -18 14 41 o 130.0350 14.47336 535.6593       108.5091 658.2487       377.1485 524.5960       113.2997 110.8981 42.09097 128.0657 15.39321 -17.16758      44.81741 
1 1 1 -18 14 42 o 126.7546 15.87238 519.1251       115.4133 504.6574       387.7762 520.5313       120.8920 97.41499 40.68641 126.3032 16.73163 -28.88818      43.99240 
1 1 1 -18 14 43 o 99.46275 20.73436 345.2586       117.0235 976.8209       462.0070 301.9612       120.9683 121.2352 46.44728 91.39262 22.67731 29.84257       51.68762 
1 1 1 -18 14 44 o 51.60777 22.22497 37.07222       121.8708 -601.8502      414.7402 97.45508       127.4996 57.61786 28.85862 59.00675 23.83731 -1.388893      37.43044 
1 1 1 -18 14 45 o 38.19661 18.52037 -160.7744      128.9797 -307.7806      418.7794 -145.3684      135.5697 63.31535 31.24532 40.20017 19.36769 23.11518       36.76108 
1 1 1 -18 15 1  f 416.0846 12.20010 5107.352       297.3900 5013.946       390.3273 5236.599       459.1505 411.3149 16.21271 419.6354 18.70360 -8.320557      24.75230 
1 1 1 -18 15 2  o 576.4034 24.13785 9957.484       814.1667 0.000000       0.000000 9957.484       814.1667 ?        ?        576.4034 24.13785 0.000000       24.13785 
1 1 1 -18 15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 4  o 191.8791 11.39848 1088.411       127.6919 941.3726       155.7952 1389.344       222.8808 177.8285 15.08040 215.7481 17.77216 -37.91957      23.30811 
1 1 1 -18 15 5  f 115.9685 16.50001 405.9882       109.0585 512.1980       127.8413 122.0919       209.0107 130.3894 17.13182 79.36418 31.01218 51.02519       35.42957 
1 1 1 -18 15 6  o 219.5002 10.46841 1421.757       134.3732 1444.856       174.7703 1388.359       210.1481 220.8144 13.56093 215.8458 16.73145 4.968628       21.53695 
1 1 1 -18 15 7  o 252.6274 9.925775 1881.341       146.7741 2022.559       204.0260 1729.867       211.3051 261.4087 13.35230 241.3979 14.99950 20.01073       20.08156 
1 1 1 -18 15 8  o 194.6476 12.32501 1122.010       139.9752 1125.215       149.4858 1099.198       398.7973 194.7930 13.16236 185.4962 37.93853 9.296799       40.15694 
1 1 1 -18 15 9  o 433.2346 10.46156 5528.183       265.8093 5500.798       414.0212 5547.385       346.6977 430.4710 16.42957 433.1034 13.66636 -2.632355      21.37054 
1 1 1 -18 15 10 o 392.1531 10.04089 4531.458       230.7391 4571.298       355.4487 4502.443       303.3400 392.5763 15.46868 390.1899 13.27505 2.386353       20.38399 
1 1 1 -18 15 11 o 100.7759 15.63506 307.8430       89.41493 358.2449       107.7016 196.0511       160.3997 108.4858 17.52489 82.74134 27.89789 25.74442       32.94562 
1 1 1 -18 15 12 o 56.37926 19.74240 84.52593       80.55566 72.39240       93.27464 120.1384       159.7978 56.25266 21.02229 72.63734 27.43684 -16.38469      34.56467 
1 1 1 -18 15 13 o 398.6851 11.56187 4694.290       270.0533 4804.901       366.8425 4563.432       399.0081 402.2021 15.58142 391.3219 17.42963 10.88025       23.37889 
1 1 1 -18 15 14 o 483.5737 10.90776 6896.758       309.3492 6722.829       489.3507 7012.531       399.2447 474.9475 17.59850 486.5154 14.00698 -11.56784      22.49228 
1 1 1 -18 15 15 o 265.9195 8.915993 2084.126       138.8532 1937.099       186.1487 2268.544       208.4793 255.7351 12.44875 276.7026 12.88228 -20.96753      17.91437 
1 1 1 -18 15 16 o 84.91384 20.41563 224.3354       100.4129 181.9106       118.9644 329.4419       187.2499 77.52313 23.84660 102.4574 29.54265 -24.93422      37.96614 
1 1 1 -18 15 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 15 18 o 369.2075 11.41491 4027.693       246.8719 4057.458       330.2341 3989.986       371.6902 369.4721 15.27310 365.6589 17.38199 3.813202       23.13874 
1 1 1 -18 15 19 o 309.4045 9.288956 2822.063       168.3651 2958.622       234.3274 2676.331       242.0697 316.1012 12.66562 300.3483 13.77917 15.75287       18.71587 
1 1 1 -18 15 20 o 336.1973 9.414958 3331.991       185.4536 3480.166       265.5313 3190.877       259.1279 342.7235 13.23544 328.0807 13.49619 14.64279       18.90302 
1 1 1 -18 15 21 o 237.6112 9.858007 1666.794       137.0762 1721.335       187.5879 1604.302       200.7955 240.8109 13.33451 232.1187 14.82758 8.692276       19.94157 
1 1 1 -18 15 22 o 134.7452 14.19304 543.9603       110.4777 499.0840       144.5155 607.0672       171.3736 127.6662 19.95409 140.6583 21.45224 -12.99207      29.29785 
1 1 1 -18 15 23 o 309.3778 9.280909 2823.227       168.2050 2811.081       242.1038 2834.559       233.8656 307.7251 13.44739 309.1524 12.92714 -1.427246      18.65324 
1 1 1 -18 15 24 o 366.0942 9.304081 3954.010       199.6020 3869.256       288.5016 4031.828       276.4440 360.8904 13.65546 368.6908 12.80424 -7.800385      18.71952 
1 1 1 -18 15 25 o 351.3346 8.234372 3636.390       169.6688 4166.929       558.1942 3582.382       178.0954 367.7370 26.05061 348.6202 8.710631 19.11682       27.46833 
1 1 1 -18 15 26 o 122.4807 15.26102 454.2133       107.2516 251.6462       456.2201 466.0633       110.3441 109.3824 44.75401 124.0287 15.50763 -14.64636      47.36463 
1 1 1 -18 15 27 o 236.3497 9.397928 1652.516       130.0083 1098.277       481.4128 1696.117       135.0252 175.4761 46.16571 239.3985 9.636764 -63.92239      47.16079 
1 1 1 -18 15 28 o 175.4722 12.58943 919.9943       128.6972 358.0772       473.1784 964.8832       133.7390 115.7311 46.20724 179.6738 12.77512 -63.94267      47.94072 
1 1 1 -18 15 29 o 43.90626 20.49512 -113.5772      130.0406 0.000000       0.000000 -113.5772      130.0406 ?        ?        43.90626 20.49512 0.000000       20.49512 
1 1 1 -18 15 30 o 315.9873 8.346330 2951.622       154.5380 3678.098       564.3698 2892.736       160.6792 338.7604 28.67582 312.6863 8.770603 26.07416       29.98710 
1 1 1 -18 15 31 o 92.58719 24.01109 278.5401       131.4652 1099.456       511.3857 220.4480       136.0372 166.9852 49.01754 82.96549 25.49670 84.01972       55.25216 
1 1 1 -18 15 32 o 265.9752 10.37022 2109.682       161.4532 0.000000       0.000000 2109.682       161.4532 ?        ?        265.9752 10.37022 0.000000       10.37022 
1 1 1 -18 15 33 o 117.0752 15.10411 423.4200       101.2936 434.4708       489.7921 422.9262       103.5318 111.1858 46.02146 116.8575 15.48755 -5.671745      48.55758 
1 1 1 -18 15 34 o 159.3180 11.39659 766.3153       105.7821 434.0573       436.8080 787.0151       109.0275 107.8235 43.91430 161.3842 11.59657 -53.56063      45.41967 
1 1 1 -18 15 35 o 166.5803 11.06683 838.0105       107.5048 742.9916       473.0574 843.1850       110.3933 126.1009 47.29821 166.9757 11.34027 -40.87472      48.63869 
1 1 1 -18 15 36 o 107.1279 16.16381 362.8858       98.39651 -610.3967      424.6957 418.0941       101.1487 63.40258 31.32127 115.5311 15.30440 -52.12857      34.86038 
1 1 1 -18 15 37 o 95.79152 18.71000 300.6093       101.3400 259.9633       409.3478 303.2631       104.5960 91.42719 40.03588 95.94041 19.25920 -4.513229      44.42735 
1 1 1 -18 15 38 o 133.7097 13.92546 557.3297       107.6019 363.3737       384.8983 573.7731       112.0704 94.98987 40.15494 135.4571 14.32384 -40.46724      42.63322 
1 1 1 -18 15 39 o 209.3546 9.723838 1324.080       119.0646 1726.867       398.2174 1284.536       124.7723 209.8410 33.48236 205.7840 10.37191 4.056961       35.05203 
1 1 1 -18 15 40 o 76.74235 22.65273 207.8386       108.9615 23.88691       365.8052 225.7488       114.1428 74.17548 34.54107 79.68585 23.09228 -5.510368      41.54923 
1 1 1 -18 15 41 o 88.04336 21.52864 272.4403       110.2221 968.3747       419.4084 220.8091       114.2376 130.3139 45.08300 78.31580 23.21462 51.99812       50.70892 
1 1 1 -18 15 42 o 124.3675 16.14488 502.2433       114.9819 365.8032       409.3229 513.9319       119.8060 88.73440 39.39322 125.4107 16.70396 -36.67628      42.78841 
1 1 1 -18 15 43 o 103.6055 20.33753 372.9314       119.1615 180.1446       409.8053 390.7372       124.5429 78.84798 36.66367 105.7136 20.82918 -26.86565      42.16728 
1 1 1 -18 15 44 o 93.84293 24.23218 329.5696       134.2862 -22.11010      398.4582 374.6310       142.6302 70.64535 33.81710 100.0262 24.50891 -29.38085      41.76461 
1 1 1 -18 16 1  o 491.8651 13.32655 7146.784       384.0731 7346.030       528.5562 6923.884       559.0484 497.1259 18.15953 481.9886 19.81936 15.13724       26.88077 
1 1 1 -18 16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 16 3  o 848.1683 20.20448 21423.12       1005.033 21633.82       1422.370 21213.03       1420.294 845.3021 28.73305 836.8016 28.98422 8.500549       40.81266 
1 1 1 -18 16 4  o 400.5575 11.89890 4734.684       279.2161 4886.299       376.8685 4550.189       415.7276 405.9414 15.86034 391.0270 18.17781 14.91437       24.12433 
1 1 1 -18 16 5  o 313.6189 11.00871 2901.419       202.1693 2917.220       260.2572 2877.376       321.0361 313.8624 14.17540 310.8637 17.68186 2.998657       22.66253 
1 1 1 -18 16 6  o 202.3759 10.78245 1209.935       127.5135 1328.678       163.1217 1023.373       204.4650 211.7240 13.20255 184.5147 19.17386 27.20934       23.27969 
1 1 1 -18 16 7  o 192.1464 10.40217 1090.568       116.7843 1069.136       143.0436 1133.408       202.2404 189.8670 12.92304 194.5353 17.92786 -4.668274      22.10007 
1 1 1 -18 16 8  o 192.6442 34.92461 1173.910       380.0569 0.000000       0.000000 1173.910       380.0569 ?        ?        192.6442 34.92461 0.000000       34.92461 
1 1 1 -18 16 9  o 272.7347 9.696757 2192.896       154.8552 2352.474       218.8047 2032.751       219.1925 281.8532 13.27410 261.7377 14.33408 20.11551       19.53631 
1 1 1 -18 16 10 o 147.3594 11.58653 644.4967       99.32912 719.1084       126.5893 524.9656       160.2262 155.2904 14.05149 130.8022 21.64283 24.48819       25.80419 
1 1 1 -18 16 11 o 449.4114 10.59577 5953.548       279.2718 5607.850       423.8713 6218.728       371.2408 434.1951 16.67657 458.2702 13.82868 -24.07513      21.66426 
1 1 1 -18 16 12 o 129.5849 12.85712 501.0534       96.42502 682.2961       122.0485 200.0281       157.2909 151.2174 13.91798 82.93794 27.62168 68.27946       30.93004 
1 1 1 -18 16 13 o 228.0994 9.702658 1535.455       129.5007 1634.223       177.3762 1422.715       189.5086 234.7666 12.93271 218.5986 14.87046 16.16805       19.70749 
1 1 1 -18 16 14 o 481.3734 10.84592 6835.132       306.1957 7063.666       505.4469 6702.642       384.8502 486.6561 17.73904 475.6223 13.81145 11.03375       22.48176 
1 1 1 -18 16 15 o 71.41537 19.80664 157.1274       85.85341 120.1516       101.3827 250.8604       161.4178 65.40213 22.17894 90.45976 27.76868 -25.05763      35.53878 
1 1 1 -18 16 16 o 284.9298 10.69959 2397.904       178.4774 2429.544       232.6294 2352.630       278.2681 286.1014 13.90583 280.6942 16.98306 5.407166       21.94986 
1 1 1 -18 16 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 16 18 o 394.8359 11.78611 4607.746       272.6158 4548.062       363.6503 4684.327       411.9200 391.0114 15.89094 396.1311 17.77588 -5.119659      23.84332 
1 1 1 -18 16 19 o 123.8718 15.83092 462.7693       112.3833 501.3556       140.9351 395.3885       186.2391 128.1920 19.34777 111.7443 28.37145 16.44772       34.34058 
1 1 1 -18 16 20 o 222.4074 10.52554 1462.052       136.9021 1588.304       184.6285 1307.854       204.0415 231.2197 13.67627 209.0215 16.78575 22.19815       21.65183 
1 1 1 -18 16 21 o 54.52058 21.60298 50.41562       102.6665 19.79879       129.6592 101.8761       168.0970 55.95944 23.46007 71.35344 27.83199 -15.39400      36.40047 
1 1 1 -18 16 22 o 47.34400 20.08515 5.307320       96.87276 -60.79021      120.6475 125.2498       162.5220 46.19264 20.87592 73.28617 27.67244 -27.09353      34.66364 
1 1 1 -18 16 23 o 162.1305 11.01200 780.0972       104.0870 791.9255       520.3391 779.6042       106.2342 152.4605 50.21964 162.0373 11.24872 -9.576782      51.46402 
1 1 1 -18 16 24 o 264.2150 8.993207 2060.512       139.1519 1645.203       529.3136 2091.346       144.2249 221.3579 42.31441 266.1359 9.254390 -44.77806      43.31458 
1 1 1 -18 16 25 o 423.3232 8.446875 5282.862       209.7098 5432.772       625.0845 5263.849       222.6115 419.6979 25.51574 422.4136 8.985852 -2.715668      27.05177 
1 1 1 -18 16 26 o 286.4599 8.796360 2423.542       147.6055 1882.949       484.2294 2478.919       154.9813 239.7171 35.51591 289.6365 9.135217 -49.91943      36.67195 
1 1 1 -18 16 27 o 200.0181 10.10494 1186.456       118.1529 1016.902       508.6106 1196.129       121.4761 166.5342 48.88415 200.7785 10.35123 -34.24426      49.96807 
1 1 1 -18 16 28 o 191.2754 10.88177 1087.944       121.5664 1232.558       517.0425 1079.482       125.0726 183.3381 47.65393 190.4374 11.24860 -7.099289      48.96354 
1 1 1 -18 16 29 o 95.71516 19.57160 288.3329       106.1543 849.1669       533.6741 265.2288       108.3187 149.4503 50.88302 91.44184 20.68373 58.00851       54.92630 
1 1 1 -18 16 30 o 68.43375 22.41027 141.9633       103.6786 1090.140       531.5206 104.4596       105.7091 166.1114 50.27069 62.28126 22.52923 103.8301       55.08819 
1 1 1 -18 16 31 o 123.8250 19.79115 483.0254       138.8873 1493.246       504.9890 400.3574       144.4582 198.4089 44.49767 111.2536 22.90360 87.15525       50.04616 
1 1 1 -18 16 32 o 53.74908 20.78239 65.15566       93.09557 -29.65331      445.7085 69.48058       95.19527 86.75918 39.56785 54.74871 21.05587 32.01047       44.82147 
1 1 1 -18 16 33 o 231.4380 8.946665 1595.881       121.2069 1576.087       516.0804 1597.036       124.6948 195.1476 45.87157 231.4147 9.206073 -36.26709      46.78624 
1 1 1 -18 16 34 o 48.95734 20.30718 31.61198       95.64622 190.2368       458.5587 24.39701       97.79724 93.98773 41.71197 48.45375 20.34799 45.53398       46.41044 
1 1 1 -18 16 35 o 85.39761 19.58451 239.6082       95.99295 389.1209       444.6667 232.2999       98.31106 102.4519 43.22712 83.81702 20.23187 18.63491       47.72748 
1 1 1 -18 16 36 o 75.03158 21.41806 189.0124       98.89585 -313.8376      435.1137 216.4045       101.5537 71.26772 34.42516 80.18913 21.25400 -8.921410      40.45768 
1 1 1 -18 16 37 o 85.70063 20.81021 248.5588       103.5361 -334.8578      424.5812 285.4451       106.7590 68.65833 33.36267 92.24986 20.28591 -23.59153      39.04594 
1 1 1 -18 16 38 o 76.72614 21.71744 202.4482       102.1101 466.1386       432.8534 186.9095       105.0756 100.3948 42.51805 73.71732 22.36033 26.67744       48.03925 
1 1 1 -18 16 39 o 51.59423 20.78765 58.32754       96.68020 -844.8863      413.0257 110.6857       99.44294 55.47465 27.92254 59.85585 21.82230 -4.381195      35.43841 
1 1 1 -18 16 40 o 98.14244 20.06488 328.2599       111.5886 130.1350       405.7479 344.4713       116.0642 79.89765 36.91805 100.3588 20.41506 -20.46119      42.18670 
1 1 1 -18 16 41 f 52.60820 21.75243 56.65558       109.2650 275.1758       405.1935 39.51931       113.4684 84.88419 38.31947 51.19388 21.72879 33.69031       44.05136 
1 1 1 -18 16 42 o 73.69015 24.06078 198.5667       119.5534 658.0686       423.3299 158.7422       124.6265 103.8480 42.86565 67.44055 24.45289 36.40746       49.34985 
1 1 1 -18 16 43 o 61.74540 23.98859 120.5964       124.4847 -21.40613      381.3733 137.5302       131.6982 70.09473 33.42454 64.38573 24.76499 5.709000       41.59933 
1 1 1 -18 16 44 o 110.7895 21.19729 433.8814       132.7141 486.1384       399.0763 427.3837       140.7234 91.73330 39.86010 108.4347 22.85023 -16.70144      45.94519 
1 1 1 -18 17 1  o 373.8111 11.68762 4124.184       255.9145 4367.996       342.0341 3814.101       385.7282 383.8587 15.22333 357.7366 18.44747 26.12210       23.91775 
1 1 1 -18 17 2  o 722.9000 27.35125 15811.17       1157.502 0.000000       0.000000 15811.17       1157.502 ?        ?        722.9000 27.35125 0.000000       27.35125 
1 1 1 -18 17 3  o 738.7833 27.72451 16531.14       1199.113 0.000000       0.000000 16531.14       1199.113 ?        ?        738.7833 27.72451 0.000000       27.72451 
1 1 1 -18 17 4  o 319.8471 10.94706 3018.332       205.0452 2970.727       260.7932 3095.402       331.8286 316.6796 14.07707 322.3596 17.61883 -5.679932      22.55188 
1 1 1 -18 17 5  o 181.5892 11.28535 975.8469       119.5924 1016.346       149.1478 902.9198       200.1411 184.9142 13.85366 172.8963 20.11288 12.01785       24.42237 
1 1 1 -18 17 6  o 208.4671 10.45740 1283.577       127.4450 1421.431       161.5406 1056.333       207.4040 219.0557 12.62761 187.3893 19.14071 31.66635       22.93084 
1 1 1 -18 17 7  o 244.3833 10.08171 1762.163       144.1859 1845.599       192.1358 1654.603       218.1521 249.5764 13.17331 235.7091 15.87349 13.86729       20.62775 
1 1 1 -18 17 8  o 134.5047 22.70632 556.7674       172.7459 0.000000       0.000000 556.7674       172.7459 ?        ?        134.5047 22.70632 0.000000       22.70632 
1 1 1 -18 17 9  o 507.0305 11.30499 7583.438       336.1668 7472.901       535.7599 7655.215       431.7300 500.6193 18.27855 508.2556 14.49852 -7.636261      23.33050 
1 1 1 -18 17 10 o 155.7964 11.31925 719.7999       102.7195 785.1576       128.6188 604.7022       170.6827 162.3598 13.63332 140.5963 21.37174 21.76344       25.34992 
1 1 1 -18 17 11 o 87.11794 16.49214 232.6644       81.17791 355.1383       95.11900 -95.71661      155.7523 108.3874 15.39629 51.16433 23.35570 57.22306       27.97382 
1 1 1 -18 17 12 o 91.35616 15.63885 254.4214       80.77905 190.3879       95.66090 413.5511       150.8017 78.33934 20.56433 115.3140 23.10416 -36.97471      30.93047 
1 1 1 -18 17 13 o 287.5675 9.498197 2438.566       159.9688 2432.165       228.4301 2444.727       224.0923 286.3418 13.64171 287.1530 13.34296 -0.8111572     19.08221 
1 1 1 -18 17 14 o 533.4120 11.57680 8400.318       362.1612 7979.928       572.9224 8680.097       467.3875 516.6429 18.94046 540.8894 14.74768 -24.24652      24.00490 
1 1 1 -18 17 15 o 77.07037 19.90790 184.3014       90.61454 189.7102       103.7113 166.8510       186.2845 78.31969 21.78737 81.12878 29.82096 -2.809082      36.93209 
1 1 1 -18 17 16 o 104.7023 16.59065 333.5974       98.48322 426.2958       112.9169 38.94149       201.3169 118.6244 16.69158 69.95712 29.27394 48.66731       33.69825 
1 1 1 -18 17 17 o 253.1747 10.99710 1894.593       162.8966 2094.330       213.9263 1618.965       251.3021 265.6250 13.77946 232.2353 18.60643 33.38966       23.15324 
1 1 1 -18 17 18 o 157.9939 13.57462 744.1044       124.5639 857.2524       147.8029 466.7343       231.4138 169.3675 15.03608 120.8758 32.10517 48.49173       35.45174 
1 1 1 -18 17 19 o 253.2509 10.40615 1894.426       154.2288 1831.981       211.7836 1964.936       225.0449 248.1590 14.61636 256.9398 14.99961 -8.780823      20.94341 
1 1 1 -18 17 20 o 110.3868 17.67348 371.9057       110.5583 338.7265       141.7292 423.4765       176.6965 103.9345 23.76938 115.8127 26.57897 -11.87828      35.65705 
1 1 1 -18 17 21 o 258.7415 13.06048 1987.129       197.5464 2944.442       575.5524 1859.291       210.3232 306.3639 32.52954 249.9283 14.41008 56.43565       35.57838 
1 1 1 -18 17 22 o 78.03245 21.16873 189.5715       99.31437 -253.0533      520.2047 206.3146       101.1753 91.90149 42.22444 81.27254 21.05775 10.62895       47.18403 
1 1 1 -18 17 23 o 277.5115 8.869655 2272.342       144.1717 1192.471       560.7808 2348.768       149.1863 183.2930 50.53843 282.1131 9.028484 -98.82010      51.33855 
1 1 1 -18 17 24 o 371.6456 8.823374 4073.365       192.3154 0.000000       0.000000 4073.365       192.3154 ?        ?        371.6456 8.823374 0.000000       8.823374 
1 1 1 -18 17 25 o 93.42210 21.12514 274.8218       113.0209 -485.4388      532.0508 310.7493       115.6606 83.84635 39.83916 99.60598 20.48365 -15.75963      44.79663 
1 1 1 -18 17 26 o 154.6992 12.55079 715.6508       112.8929 -206.0260      529.6740 759.5124       115.5479 92.45322 42.52514 159.4205 12.45739 -66.96731      44.31223 
1 1 1 -18 17 27 o 276.8110 8.752212 2264.723       141.9076 1779.885       555.0020 2298.638       146.7869 225.4886 43.54480 278.8182 8.988423 -53.32959      44.46281 
1 1 1 -18 17 28 o 168.7072 12.50717 851.9279       122.8693 930.9130       528.4376 847.4137       126.3317 156.5332 50.54617 168.1462 12.90949 -11.61308      52.16867 
1 1 1 -18 17 29 o 143.1207 16.29357 625.4845       134.3308 0.000000       0.000000 625.4845       134.3308 ?        ?        143.1207 16.29357 0.000000       16.29357 
1 1 1 -18 17 30 o 93.28399 19.65442 276.6098       104.1283 428.4094       530.6113 270.5297       106.1931 117.2859 48.15748 92.06159 20.22238 25.22426       52.23109 
1 1 1 -18 17 31 o 141.4987 15.39003 614.3489       125.6600 1987.577       511.8537 526.2760       129.6271 234.2002 38.60985 130.0297 17.43733 104.1705       42.36486 
1 1 1 -18 17 32 o 59.03924 21.30513 97.77699       94.46320 1167.297       467.2472 52.20014       96.45494 167.0572 46.15874 52.20815 20.85638 114.8490       50.65193 
1 1 1 -18 17 33 o 46.89348 19.76280 19.42732       92.77139 353.3527       459.7159 5.251279       94.72012 103.1424 43.75543 45.57766 19.61043 57.56475       47.94900 
1 1 1 -18 17 34 o 62.26469 21.61685 118.3023       96.46422 672.9570       465.8015 93.44868       98.60178 121.1042 46.57619 58.29827 21.64784 62.80588       51.36118 
1 1 1 -18 17 35 o 47.57100 20.10487 21.68982       96.44998 89.61560       433.9198 18.15941       98.92471 86.01974 39.15727 47.62738 20.25457 38.39236       44.08559 
1 1 1 -18 17 36 o 49.41726 20.41987 38.60017       96.20356 -135.8531      413.5612 48.58045       98.91714 74.50112 35.31890 51.20400 20.88134 23.29712       41.02993 
1 1 1 -18 17 37 o 93.62749 19.47411 292.0504       103.4446 -51.90823      467.3767 309.7678       106.0754 79.38960 37.61001 96.53186 19.41029 -17.14226      42.32343 
1 1 1 -18 17 38 o 157.4817 11.79047 761.0945       108.1054 169.2453       472.1554 793.8378       111.0556 86.00149 39.76891 160.8083 11.85899 -74.80677      41.49942 
1 1 1 -18 17 39 o 117.9073 16.23627 448.2722       109.2960 91.93954       427.2949 473.2178       113.0570 79.85641 37.23490 121.1237 16.33113 -41.26725      40.65887 
1 1 1 -18 17 40 o 55.47409 22.45796 74.34800       113.4422 -554.2338      429.7820 121.4216       117.6133 61.05805 30.39290 62.22813 23.53093 -1.170078      38.43739 
1 1 1 -18 17 41 o 45.46366 20.47602 -19.44387      114.9218 516.6465       427.4399 -61.21525      119.3151 96.49760 41.59029 42.89114 19.88875 53.60645       46.10113 
1 1 1 -18 17 42 o 83.34892 24.34076 260.0494       126.3814 1013.839       414.6984 182.8730       132.6936 129.8758 44.83394 70.83108 25.28844 59.04469       51.47414 
1 1 1 -18 17 43 o 150.4839 15.65449 734.2586       136.1420 569.4498       398.2290 756.0697       144.8708 97.64509 41.03651 151.9102 16.52697 -54.26508      44.23953 
1 1 1 -18 18 1  o 444.4017 12.66971 5836.962       329.8751 6200.169       452.9523 5426.748       481.3712 456.6336 16.94290 426.2771 19.30483 30.35648       25.68538 
1 1 1 -18 18 2  o 482.4499 13.05297 6881.902       368.9886 6795.089       496.2458 6989.249       551.8254 477.7355 17.74247 483.7718 19.48949 -6.036346      26.35594 
1 1 1 -18 18 3  o 361.7331 11.36226 3862.971       240.7492 3606.355       303.2473 4300.443       395.9408 348.6618 14.86414 379.8604 17.82248 -31.19867      23.20740 
1 1 1 -18 18 4  o 309.3168 10.83740 2823.909       196.2943 2789.556       250.3799 2878.701       316.2067 306.7743 13.95302 310.7271 17.42144 -3.952789      22.32025 
1 1 1 -18 18 5  o 254.2190 10.85477 1908.740       161.4650 2032.124       204.4965 1704.476       263.1198 261.8489 13.36050 238.4227 18.97362 23.42621       23.20562 
1 1 1 -18 18 6  o 251.1745 9.870386 1861.180       145.1155 1764.214       189.4549 1998.827       225.7258 243.9317 13.29326 259.3358 14.90394 -15.40411      19.97093 
1 1 1 -18 18 7  o 110.1057 15.17604 365.8773       95.39474 360.6866       112.9072 378.8260       178.3307 108.6219 18.37846 109.6175 27.72501 -0.9955826     33.26326 
1 1 1 -18 18 8  o 255.4341 14.17594 1937.366       211.5312 0.000000       0.000000 1937.366       211.5312 ?        ?        255.4341 14.17594 0.000000       14.17594 
1 1 1 -18 18 9  o 303.7512 9.568383 2720.235       170.2414 2685.474       238.9384 2756.076       242.6192 300.9818 13.57106 304.9129 13.60170 -3.931122      19.21406 
1 1 1 -18 18 10 o 365.7419 9.789442 3943.978       209.7937 4079.171       318.6126 3840.495       278.7528 370.7139 14.68363 360.1021 13.22151 10.61182       19.75898 
1 1 1 -18 18 11 o 43.29196 18.22277 7.728870       78.72330 35.23778       94.34086 -55.34652      142.8542 50.76690 20.50608 51.57443 23.05954 -0.8075333     30.85842 
1 1 1 -18 18 12 o 160.3698 11.00113 762.2649       102.8423 859.8526       132.1085 612.1599       163.8441 169.9648 13.36056 141.6776 20.29787 28.28712       24.30037 
1 1 1 -18 18 13 o 78.16441 19.26732 189.6346       87.75179 207.5504       105.6597 149.8037       157.5438 81.71597 21.68900 75.99771 27.50193 5.718262       35.02526 
1 1 1 -18 18 14 o 98.53528 17.67481 297.5930       98.38764 338.7731       114.7372 183.1924       191.2383 104.9151 19.36035 83.56160 30.29193 21.35354       35.95031 
1 1 1 -18 18 15 o 41.03033 18.41598 -41.31577      92.07031 4.493485       104.8196 -196.0137      192.6229 49.12795 20.86937 52.15140 24.53478 -3.023453      32.21003 
1 1 1 -18 18 16 o 146.2059 13.68153 638.1086       115.9516 773.4807       135.3670 265.1067       224.7005 160.9285 14.49792 95.84282 33.00572 65.08571       36.04951 
1 1 1 -18 18 17 o 228.0749 11.75861 1540.047       156.7529 1641.875       197.6156 1367.258       257.4218 234.9635 14.41001 212.6311 20.91311 22.33246       25.39698 
1 1 1 -18 18 18 o 138.2930 14.58669 573.0883       116.5261 663.0146       141.2377 381.3939       206.2112 148.4439 16.50180 109.7110 30.79597 38.73289       34.93853 
1 1 1 -18 18 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 18 20 o 104.1250 16.89925 330.9676       99.66358 1536.341       572.4810 293.2939       101.2091 212.4714 47.17188 97.56005 18.36239 114.9113       50.61979 
1 1 1 -18 18 21 o 507.1790 9.350288 7583.590       278.1229 8066.587       785.2143 7514.302       297.4037 513.1890 26.17564 504.6474 10.04865 8.541656       28.03818 
1 1 1 -18 18 22 o 375.7310 8.578324 4159.859       189.0297 4214.208       637.4853 4154.620       197.9316 367.4577 29.83748 375.4052 8.990096 -7.947418      31.16243 
1 1 1 -18 18 23 o 303.5371 8.548319 2718.250       152.0233 2329.005       574.8093 2747.524       157.6364 266.4524 37.84690 305.1091 8.818748 -38.65668      38.86076 
1 1 1 -18 18 24 o 156.6243 12.70912 733.0808       115.7393 93.55895       543.6569 763.4413       118.4547 106.7992 46.46378 159.8473 12.74099 -53.04815      48.17900 
1 1 1 -18 18 25 o 41.89213 18.93279 -48.79048      99.23933 269.7774       537.5488 -60.03119      100.9750 114.5813 47.88330 41.30134 18.83499 73.27992       51.45452 
1 1 1 -18 18 26 o 215.2207 9.859497 1372.883       124.1178 425.0414       555.1667 1422.752       127.3410 123.4328 49.78474 219.0843 9.936618 -95.65153      50.76669 
1 1 1 -18 18 27 o 316.8517 8.710275 2967.745       161.7061 2614.170       630.1527 2992.669       167.3086 276.3961 40.03909 318.1014 8.977112 -41.70529      41.03312 
1 1 1 -18 18 28 o 151.3883 13.29916 689.7993       116.8787 1438.999       557.2404 655.3229       119.5377 194.5631 48.89871 147.3220 14.00343 47.24106       50.86433 
1 1 1 -18 18 29 o 108.7214 17.63122 367.7546       108.5738 1167.409       571.9338 337.8594       110.5847 168.6596 52.35676 103.6955 18.87911 64.96416       55.65655 
1 1 1 -18 18 30 o 120.0320 15.19359 442.6687       104.5643 1281.125       520.4752 407.4041       106.7406 177.1383 48.62809 114.6791 16.33168 62.45924       51.29732 
1 1 1 -18 18 31 o 84.17329 20.63627 230.6326       101.0741 716.0853       478.8262 207.9931       103.4041 130.0195 47.80728 79.76971 21.58335 50.24976       52.45357 
1 1 1 -18 18 32 o 233.2348 8.886100 1621.087       121.3277 1673.737       504.8825 1617.860       124.9904 203.8218 43.55820 232.8820 9.169375 -29.06021      44.51286 
1 1 1 -18 18 33 o 89.35465 19.31417 260.2264       98.25893 316.8570       535.8574 258.2560       99.95370 102.1183 45.21745 88.85126 19.69873 13.26704       49.32198 
1 1 1 -18 18 34 o 170.3301 10.89950 876.4553       108.3088 911.4531       467.0327 874.4661       111.3443 137.5725 47.57480 169.9826 11.23192 -32.41005      48.88269 
1 1 1 -18 18 35 o 96.47787 18.50027 303.4394       100.8707 550.0812       426.4089 288.8192       103.8173 109.8019 43.85612 93.55090 19.55287 16.25101       48.01744 
1 1 1 -18 18 36 o 95.22056 19.17074 300.1977       103.3499 23.97970       418.2509 318.1599       106.6574 79.83465 37.09422 98.06267 19.23292 -18.22802      41.78381 
1 1 1 -18 18 37 o 105.7470 17.87708 365.1616       106.9228 366.2767       483.9847 365.1043       109.6316 95.19816 42.51263 105.4321 18.39906 -10.23392      46.32331 
1 1 1 -18 18 38 o 118.0292 16.22031 447.9998       109.3128 -338.7393      471.0598 492.7774       112.3806 69.82843 34.19315 124.1335 15.79373 -54.30504      37.66449 
1 1 1 -18 18 39 o 83.22107 22.11025 244.5964       109.7357 334.2646       450.6994 238.9457       113.1406 89.65027 40.44776 81.90347 22.74574 7.746796       46.40463 
1 1 1 -18 18 40 f 48.13649 21.14202 8.306323       114.9220 254.7588       455.2047 -8.471204      118.7693 84.83340 39.16481 47.20304 21.07097 37.63036       44.47323 
1 1 1 -18 18 41 o 58.81679 23.76952 93.44018       126.8286 122.0046       436.5119 90.80645       132.5466 78.21793 36.84001 59.04575 24.13658 19.17218       44.04271 
1 1 1 -18 18 42 o 121.8233 23.56013 538.6116       162.2403 -364.8717      412.0201 704.4067       176.4998 62.35325 30.81164 141.3213 22.01210 -78.96805      37.86674 
1 1 1 -18 18 43 o 90.97531 24.86843 315.5249       136.4535 112.7355       433.3354 337.8460       143.7672 75.90658 36.03408 93.65972 25.49504 -17.75314      44.14127 
1 1 1 -18 19 1  f 209.3611 11.54451 1297.132       141.2009 1149.437       160.2621 1809.588       298.5216 196.6095 13.99016 245.0849 20.96997 -48.47545      25.20842 
1 1 1 -18 19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 19 3  o 113.8718 16.48221 392.7157       106.8759 376.0642       118.9208 462.6502       243.7118 110.8333 18.97728 120.5577 33.34634 -9.724365      38.36816 
1 1 1 -18 19 4  o 46.12983 19.55198 4.702177       91.65495 -34.58737      101.2369 183.2766       215.8291 44.07772 19.57829 86.08672 32.01612 -42.00900      37.52788 
1 1 1 -18 19 5  o 202.0263 10.75142 1206.797       126.9281 1191.803       157.2318 1234.849       215.0646 200.2947 13.46327 202.8150 18.27670 -2.520248      22.70016 
1 1 1 -18 19 6  o 393.0809 10.42235 4557.881       240.0573 4791.746       366.1631 4381.590       317.9119 401.5934 15.57621 384.4452 14.12410 17.14819       21.02637 
1 1 1 -18 19 7  o 263.4010 12.41828 2054.346       191.2955 2245.380       213.5782 1279.475       430.1476 275.2160 13.27134 199.1121 38.22518 76.10397       40.46348 
1 1 1 -18 19 8  o 172.5038 10.79558 881.0079       108.6707 860.5272       133.8816 920.5609       186.0530 170.0128 13.53906 174.8004 18.42547 -4.787613      22.86491 
1 1 1 -18 19 9  o 394.0300 10.04832 4578.630       232.0165 4423.532       346.8626 4704.217       312.1219 385.8401 15.35919 398.5388 13.37269 -12.69867      20.36500 
1 1 1 -18 19 10 o 374.4478 9.894260 4134.588       217.0923 4212.681       331.1098 4075.705       287.5150 376.6077 15.02119 370.9537 13.23692 5.653992       20.02129 
1 1 1 -18 19 11 o 456.7932 10.86992 6155.135       291.2035 6389.840       463.8456 6002.451       374.1184 463.1001 17.10784 449.9373 14.19549 13.16281       22.23039 
1 1 1 -18 19 12 o 189.6379 10.14134 1063.000       112.3800 1018.009       140.6490 1142.438       186.8895 185.0845 13.04083 195.3886 16.46228 -10.30418      21.00166 
1 1 1 -18 19 13 o 178.8401 11.14278 947.3330       116.2910 915.0511       144.5988 1006.447       195.6720 175.2070 14.19366 182.8082 18.50543 -7.601242      23.32189 
1 1 1 -18 19 14 o 262.4333 9.840172 2032.199       151.1828 1954.989       199.8389 2135.526       231.1779 256.7257 13.31826 268.0052 14.76502 -11.27951      19.88421 
1 1 1 -18 19 15 o 242.9665 11.26641 1745.793       160.1026 1826.135       201.0876 1606.675       264.6084 247.9718 13.88257 231.0342 19.71711 16.93761       24.11411 
1 1 1 -18 19 16 o 474.3002 12.90197 6657.568       358.5555 6638.600       489.4137 6679.544       526.7953 471.7186 17.72211 472.5484 19.04741 -0.8297424     26.01686 
1 1 1 -18 19 17 o 312.4819 23.89119 2964.472       434.5178 0.000000       0.000000 2964.472       434.5178 ?        ?        312.4819 23.89119 0.000000       23.89119 
1 1 1 -18 19 18 o 229.9603 9.870671 1561.781       132.8121 0.000000       0.000000 1561.781       132.8121 ?        ?        229.9603 9.870671 0.000000       9.870671 
1 1 1 -18 19 19 o 183.4441 10.89286 997.0176       116.6639 0.000000       0.000000 997.0176       116.6639 ?        ?        183.4441 10.89286 0.000000       10.89286 
1 1 1 -18 19 20 o 154.3915 12.57490 710.3636       112.8767 811.8140       547.8319 705.8657       115.3518 154.1329 51.55385 153.8335 12.90448 0.2994232      53.14438 
1 1 1 -18 19 21 o 421.0693 8.755356 5225.552       216.2110 5581.417       723.6629 5190.672       226.5593 423.5213 29.31560 419.5491 9.207645 3.972168       30.72760 
1 1 1 -18 19 22 o 277.2756 8.917713 2269.860       144.8273 3570.810       612.1958 2192.735       149.0585 335.8936 31.44236 272.4289 9.343211 63.46475       32.80119 
1 1 1 -18 19 23 o 198.6093 10.60522 1170.148       123.0814 1532.904       565.3196 1152.097       126.1066 207.9288 47.41361 196.9905 10.95865 10.93834       48.66356 
1 1 1 -18 19 24 o 78.73692 21.80500 194.9258       104.1362 953.9260       565.8162 168.3149       105.9460 160.4454 52.34109 73.83910 22.46415 86.60631       56.95812 
1 1 1 -18 19 25 o 139.0724 13.43722 581.3285       108.2342 754.1824       539.4575 574.0785       110.4807 144.7617 51.05740 138.0963 13.82701 6.665482       52.89655 
1 1 1 -18 19 26 o 73.33443 24.99817 158.0070       128.8151 0.000000       0.000000 158.0070       128.8151 ?        ?        73.33443 24.99817 0.000000       24.99817 
1 1 1 -18 19 27 o 125.8776 16.22454 484.6977       116.9938 1430.756       565.2378 442.3531       119.5834 193.7096 49.55809 119.7485 17.54804 73.96110       52.57317 
1 1 1 -18 19 28 o 171.9216 13.55546 890.6876       135.5718 736.6904       619.5436 898.4326       138.9391 138.2385 53.56857 172.5728 13.84386 -34.33434      55.32851 
1 1 1 -18 19 29 o 257.3540 9.041171 1966.512       136.2483 1238.893       576.4844 2009.560       140.2208 170.1730 52.52057 260.0995 9.206780 -89.92647      53.32143 
1 1 1 -18 19 30 o 91.81179 19.78752 271.4296       103.4031 -110.6920      495.5087 288.8278       105.7309 87.03603 40.41797 94.82130 19.65870 -7.785278      44.94526 
1 1 1 -18 19 31 o 151.5061 12.35886 696.0621       108.8611 473.2993       509.8254 706.7038       111.4310 112.0961 46.72231 152.5837 12.56344 -40.48759      48.38197 
1 1 1 -18 19 32 o 131.3425 13.33503 528.6671       101.2965 1598.174       491.8020 481.2846       103.5160 197.0349 43.70419 124.8151 14.40531 72.21977       46.01706 
1 1 1 -18 19 33 o 85.11426 20.18600 239.2240       99.22819 221.0989       497.1954 239.9759       101.2654 95.65520 42.87538 85.11874 20.52575 10.53646       47.53530 
1 1 1 -18 19 34 o 141.6251 13.00496 616.1974       106.8139 248.7069       462.5305 636.8998       109.7814 93.88776 41.76685 143.9289 13.15074 -50.04115      43.78825 
1 1 1 -18 19 35 o 70.46066 21.72079 166.9485       98.63529 -140.4532      436.6390 183.4785       101.2525 75.50949 35.93846 73.54164 21.86945 1.967850       42.06953 
1 1 1 -18 19 36 o 97.51337 19.59276 316.8994       108.1571 389.8588       500.3833 313.3237       110.7758 97.15508 43.31729 96.59579 20.20454 0.5592957      47.79761 
1 1 1 -18 19 37 o 204.9712 10.70635 1277.657       128.2557 866.1798       504.5135 1306.086       132.6124 120.0764 47.78847 207.0689 10.95892 -86.99255      49.02893 
1 1 1 -18 19 38 o 49.65308 21.12991 30.66670       107.7827 71.81143       430.7504 27.91855       111.3240 79.04140 37.02758 49.92263 21.36578 29.11877       42.74971 
1 1 1 -18 19 39 o 150.3288 13.80315 711.4389       120.3372 1091.754       461.9270 683.7492       124.6409 133.8528 47.24299 146.7045 14.68374 -12.85164      49.47234 
1 1 1 -18 19 40 o 135.2597 16.18251 593.3524       125.8259 701.2504       467.9829 584.9446       130.6363 105.0195 44.33006 133.5995 17.06162 -28.57996      47.50003 
1 1 1 -18 19 41 o 79.63844 24.93290 239.3649       129.4068 -313.1797      448.2191 289.6106       135.1626 65.87808 32.47486 87.40080 25.06811 -21.52272      41.02471 
1 1 1 -18 19 42 f 42.81693 20.22245 -94.91199      133.2010 -1136.541      447.4476 6.372707       139.5268 51.94222 26.45338 51.19138 22.84563 0.7508354      34.95288 
1 1 1 -18 20 1  o 306.6827 11.07418 2777.914       198.8556 2762.136       245.6075 2807.938       338.8143 305.2177 13.75622 306.2426 18.95745 -1.024963      23.42261 
1 1 1 -18 20 2  o 131.6375 14.43435 519.2124       109.6111 502.8607       121.1260 593.1548       257.5741 129.1293 16.36090 136.1747 32.67084 -7.045410      36.53851 
1 1 1 -18 20 3  o 332.6967 11.34767 3269.841       221.0903 3304.554       280.4542 3212.850       359.3484 333.7241 14.36288 327.6942 18.77666 6.029907       23.64012 
1 1 1 -18 20 4  o 136.0975 47.49836 571.1679       466.0533 0.000000       0.000000 571.1679       466.0533 ?        ?        136.0975 47.49836 0.000000       47.49836 
1 1 1 -18 20 5  o 320.0293 10.96797 3024.548       205.5531 2909.212       257.2640 3228.168       341.8277 313.1557 14.04348 328.7855 17.79366 -15.62976      22.66790 
1 1 1 -18 20 6  o 148.2341 12.92535 654.4628       111.2450 765.7536       134.4251 412.6097       198.1649 160.1386 14.46904 114.0806 29.42591 46.05795       32.79081 
1 1 1 -18 20 7  o 90.46407 31.02432 234.8331       198.4702 0.000000       0.000000 234.8331       198.4702 ?        ?        90.46407 31.02432 0.000000       31.02432 
1 1 1 -18 20 8  o 33.63000 15.89217 -94.05062      82.47288 22.32130       93.33134 -508.6923      176.1732 48.77720 20.12990 37.03316 18.58528 11.74404       27.39755 
1 1 1 -18 20 9  o 83.87892 18.02607 217.4388       86.03355 248.3002       99.81699 128.2666       169.6726 89.49274 19.56499 74.72812 28.26172 14.76463       34.37315 
1 1 1 -18 20 10 o 157.0677 11.37909 731.8468       104.1094 831.3061       129.0179 546.2009       176.2666 167.1254 13.27199 132.8456 23.48289 34.27977       26.97391 
1 1 1 -18 20 11 o 382.1425 10.21687 4307.613       228.7726 4368.947       342.3367 4258.119       307.5229 383.4757 15.25219 379.0034 13.85848 4.472321       20.60793 
1 1 1 -18 20 12 o 126.0435 14.41817 476.6271       104.6658 534.3344       128.4432 362.5714       180.5736 133.0378 16.83870 107.1463 28.31443 25.89158       32.94312 
1 1 1 -18 20 13 o 253.3701 10.19209 1895.281       151.1409 1936.271       198.4826 1838.710       233.1750 255.5005 13.29156 248.3002 16.09911 7.200302       20.87695 
1 1 1 -18 20 14 o 195.0252 11.28102 1126.160       128.4790 1175.644       159.1473 1033.560       217.7068 198.8254 13.73261 184.7527 20.43343 14.07274       24.61930 
1 1 1 -18 20 15 o 362.5820 24.37585 3989.535       515.3301 0.000000       0.000000 3989.535       515.3301 ?        ?        362.5820 24.37585 0.000000       24.37585 
1 1 1 -18 20 16 o 360.3135 9.471684 3827.781       199.9777 0.000000       0.000000 3827.781       199.9777 ?        ?        360.3135 9.471684 0.000000       9.471684 
1 1 1 -18 20 17 o 260.8965 9.742183 2009.291       148.8030 0.000000       0.000000 2009.291       148.8030 ?        ?        260.8965 9.742183 0.000000       9.742183 
1 1 1 -18 20 18 o 235.7533 9.528903 1641.237       131.4787 0.000000       0.000000 1641.237       131.4787 ?        ?        235.7533 9.528903 0.000000       9.528903 
1 1 1 -18 20 19 o 84.41619 20.40204 222.7341       99.87511 0.000000       0.000000 222.7341       99.87511 ?        ?        84.41619 20.40204 0.000000       20.40204 
1 1 1 -18 20 20 o 174.3310 11.59208 903.1047       117.8453 0.000000       0.000000 903.1047       117.8453 ?        ?        174.3310 11.59208 0.000000       11.59208 
1 1 1 -18 20 21 o 118.4052 16.81071 427.4533       113.4595 1320.932       636.6109 398.1419       115.3055 188.7246 54.48912 113.9250 17.84287 74.79966       57.33613 
1 1 1 -18 20 22 o 57.18476 21.95130 70.30855       103.3292 56.78551       590.5764 70.73559       104.9481 108.4931 47.77937 57.51490 22.11115 50.97824       52.64761 
1 1 1 -18 20 23 o 65.52252 22.40008 122.5829       103.4448 -366.8603      572.5437 139.0993       105.1757 90.79935 42.58476 68.54931 22.57805 22.25004       48.19990 
1 1 1 -18 20 24 o 274.9292 8.798014 2233.929       141.6761 3263.199       598.8904 2172.914       145.8149 317.7484 32.59938 271.0491 9.186105 46.69925       33.86892 
1 1 1 -18 20 25 o 194.6700 10.92218 1127.253       124.1977 1248.248       534.2927 1120.341       127.6955 183.0896 48.85342 193.9809 11.27305 -10.89131      50.13719 
1 1 1 -18 20 26 o 173.5101 13.61272 905.1329       137.4141 0.000000       0.000000 905.1329       137.4141 ?        ?        173.5101 13.61272 0.000000       13.61272 
1 1 1 -18 20 27 o 137.4190 14.68836 573.6082       116.5443 -349.9066      604.4631 609.2646       118.7728 90.94710 42.99180 141.7315 14.49275 -50.78444      45.36888 
1 1 1 -18 20 28 o 166.6311 13.73820 840.1995       133.0652 937.0038       600.1022 835.1938       136.4622 147.7268 53.64477 165.9745 14.15404 -18.24771      55.48061 
1 1 1 -18 20 29 o 58.78419 22.13828 87.51126       103.8634 940.8419       498.8904 48.85004       106.1902 148.1803 49.18819 53.64914 21.72497 94.53113       53.77223 
1 1 1 -18 20 30 o 313.8264 8.400124 2926.486       154.4667 2867.886       535.7487 2931.799       161.3172 286.0258 32.51423 313.9256 8.770597 -27.89987      33.67638 
1 1 1 -18 20 31 o 92.45880 19.75518 278.4101       103.8701 0.000000       0.000000 278.4101       103.8701 ?        ?        92.45880 19.75518 0.000000       19.75518 
1 1 1 -18 20 32 f 64.90669 21.59638 133.2596       96.15820 512.8118       468.9336 116.5995       98.24593 110.4946 45.30986 62.09572 21.79823 48.39891       50.28068 
1 1 1 -18 20 33 o 119.7122 15.21484 448.4529       104.4110 676.3546       476.5459 436.9609       107.0111 118.6635 46.69046 117.8205 15.89146 0.8429260      49.32077 
1 1 1 -18 20 34 o 111.0092 16.51267 392.8851       104.2361 822.1151       457.2375 369.3552       107.0550 126.7463 46.69766 106.9676 17.68218 19.77873       49.93327 
1 1 1 -18 20 35 o 89.36280 20.28585 268.9723       103.8767 563.8370       473.7044 254.0771       106.4681 106.4661 44.75094 86.34731 21.18609 20.11874       49.51259 
1 1 1 -18 20 36 o 113.4973 17.37772 418.0524       111.9959 747.2416       487.8145 399.7352       115.0696 114.5597 46.50016 110.2947 18.43962 4.264969       50.02284 
1 1 1 -18 20 37 o 128.5898 16.91787 535.3142       124.4940 561.3224       497.0562 533.5734       128.5927 101.4716 44.28241 127.8931 17.61133 -26.42147      47.65596 
1 1 1 -18 20 38 o 182.8350 12.26529 1034.240       130.7580 549.4478       460.3814 1076.778       136.3741 99.51002 43.02697 186.3434 12.55187 -86.83334      44.82042 
1 1 1 -18 20 39 o 53.64306 22.23700 59.61087       114.5895 -562.6672      451.6046 102.4322       118.4666 62.02411 30.91893 59.48475 23.31731 2.539360       38.72566 
1 1 1 -18 20 40 o 65.19883 24.56573 142.6902       127.9232 -245.7680      450.9833 176.6802       133.4024 67.98595 33.32530 70.12396 25.31657 -2.138008      41.85098 
1 1 1 -18 20 41 o 78.22581 25.36615 232.8597       132.9995 407.8404       417.4155 213.0879       140.3125 88.48774 39.50079 74.95650 26.06823 13.53124       47.32721 
1 1 1 -18 20 42 o 82.36176 25.81365 264.2203       138.6724 1078.419       451.4139 179.3786       145.7184 125.7215 46.38547 69.88603 26.24297 55.83546       53.29451 
1 1 1 -18 21 1  o 421.4478 12.36114 5251.581       305.1991 5568.280       410.6427 4860.761       456.1722 432.7125 16.20998 403.0409 19.35532 29.67163       25.24663 
1 1 1 -18 21 2  o 150.5538 13.44586 675.7162       117.4737 673.3112       129.8864 686.5258       275.3631 149.9922 14.96489 146.5573 32.85099 3.434982       36.09897 
1 1 1 -18 21 3  o 261.5844 11.17016 2022.394       170.9703 1959.377       203.4263 2173.985       315.5107 256.9933 13.54475 268.9102 20.15240 -11.91693      24.28126 
1 1 1 -18 21 4  o 354.1174 10.59736 3700.717       219.8399 3703.245       304.2133 3697.955       318.0492 353.1988 14.71842 352.7395 15.41129 0.4592896      21.31056 
1 1 1 -18 21 5  o 210.0595 11.50636 1306.170       141.2112 1325.098       176.8439 1272.866       234.5761 211.0306 14.37456 205.5015 19.70451 5.529068       24.39048 
1 1 1 -18 21 6  f 341.5852 26.72557 3561.297       531.1384 0.000000       0.000000 3561.297       531.1384 ?        ?        341.5852 26.72557 0.000000       26.72557 
1 1 1 -18 21 7  o 178.9589 12.59018 951.0591       131.2973 1122.664       164.4462 649.3035       218.0655 194.1237 14.55011 144.1780 26.77461 49.94574       30.47270 
1 1 1 -18 21 8  o 72.10818 21.36755 158.3632       96.79496 144.8741       110.6262 202.4162       199.9189 70.60063 23.15064 86.67202 31.02920 -16.07139      38.71387 
1 1 1 -18 21 9  o 130.4859 14.33205 510.2208       107.8755 492.2710       128.4981 553.0720       198.5400 127.4318 17.66840 132.9160 26.40049 -5.484245      31.76724 
1 1 1 -18 21 10 o 361.0831 10.28444 3846.394       217.5683 3993.462       318.3737 3717.536       298.0107 366.7461 14.83263 353.9593 14.38579 12.78674       20.66296 
1 1 1 -18 21 11 o 132.4359 14.04997 525.0081       107.4640 461.6845       128.0389 675.9319       197.6688 123.1920 18.27502 148.1258 23.54073 -24.93374      29.80171 
1 1 1 -18 21 12 o 320.8734 10.15913 3037.821       190.9385 2798.035       256.0419 3338.234       286.5881 307.0134 14.25906 335.3011 14.60886 -28.28763      20.41420 
1 1 1 -18 21 13 o 187.4160 10.08176 1038.307       110.4058 0.000000       0.000000 1038.307       110.4058 ?        ?        187.4160 10.08176 0.000000       10.08176 
1 1 1 -18 21 14 o 197.4909 10.65038 1153.804       122.9004 0.000000       0.000000 1153.804       122.9004 ?        ?        197.4909 10.65038 0.000000       10.65038 
1 1 1 -18 21 15 o 297.0369 9.389232 2602.293       163.3598 0.000000       0.000000 2602.293       163.3598 ?        ?        297.0369 9.389232 0.000000       9.389232 
1 1 1 -18 21 16 o 264.2396 9.684051 2061.216       149.8201 0.000000       0.000000 2061.216       149.8201 ?        ?        264.2396 9.684051 0.000000       9.684051 
1 1 1 -18 21 17 o 139.0187 14.74654 580.3665       118.3987 0.000000       0.000000 580.3665       118.3987 ?        ?        139.0187 14.74654 0.000000       14.74654 
1 1 1 -18 21 18 o 197.2019 11.28313 1153.333       129.9496 0.000000       0.000000 1153.333       129.9496 ?        ?        197.2019 11.28313 0.000000       11.28313 
1 1 1 -18 21 19 o 153.6002 12.77040 704.2928       113.9999 0.000000       0.000000 704.2928       113.9999 ?        ?        153.6002 12.77040 0.000000       12.77040 
1 1 1 -18 21 20 o 190.5861 10.43145 1076.974       116.1522 0.000000       0.000000 1076.974       116.1522 ?        ?        190.5861 10.43145 0.000000       10.43145 
1 1 1 -18 21 21 o 99.49745 20.06707 309.4885       113.0516 0.000000       0.000000 309.4885       113.0516 ?        ?        99.49745 20.06707 0.000000       20.06707 
1 1 1 -18 21 22 o 101.9251 20.17297 325.1494       116.3173 0.000000       0.000000 325.1494       116.3173 ?        ?        101.9251 20.17297 0.000000       20.17297 
1 1 1 -18 21 23 o 311.0733 10.03063 2865.887       182.7568 0.000000       0.000000 2865.887       182.7568 ?        ?        311.0733 10.03063 0.000000       10.03063 
1 1 1 -18 21 24 o 125.4239 15.28030 477.9805       110.0819 111.0316       547.5722 493.4356       112.3762 105.9397 46.34987 127.4445 15.34327 -21.50477      48.82342 
1 1 1 -18 21 25 o 199.5430 10.82492 1185.274       126.2068 1684.254       574.2000 1159.944       129.3704 213.5096 47.12005 197.2818 11.22779 16.22783       48.43927 
1 1 1 -18 21 26 o 111.8142 17.68703 388.0988       112.1314 30.00465       573.0476 402.3557       114.3418 101.7293 45.77835 113.8886 17.69284 -12.15932      49.07845 
1 1 1 -18 21 27 o 137.4917 14.05777 574.4084       111.7620 505.0371       610.0513 576.8176       113.6861 122.5364 51.09412 137.7055 14.28408 -15.16915      53.05322 
1 1 1 -18 21 28 o 109.8582 17.53550 378.4599       109.1837 1032.320       500.6252 345.8057       111.8768 155.8888 49.07328 104.3545 18.97903 51.53435       52.61549 
1 1 1 -18 21 29 o 120.4941 15.79490 450.8720       108.9328 127.7932       472.9945 468.9680       111.9420 94.01825 42.00358 122.8750 15.90675 -28.85671      44.91465 
1 1 1 -18 21 30 o 192.3676 10.35992 1110.672       116.4484 2016.220       535.7491 1065.769       119.3006 225.7142 42.01758 188.2171 10.85373 37.49710       43.39678 
1 1 1 -18 21 31 o 96.84109 19.38974 305.1122       106.2798 0.000000       0.000000 305.1122       106.2798 ?        ?        96.84109 19.38974 0.000000       19.38974 
1 1 1 -18 21 32 f 62.37213 21.75565 119.4172       97.76598 449.5305       452.0498 103.2189       100.1359 105.3319 43.95623 59.85966 21.88660 45.47223       49.10370 
1 1 1 -18 21 33 o 48.73237 20.66568 23.31374       102.4826 -1147.408      471.8363 81.27769       104.9889 57.20940 28.92308 56.73869 22.03389 0.4707108      36.35983 
1 1 1 -18 21 34 o 47.65886 20.41673 17.25258       101.8345 805.8946       496.7328 -17.34709      104.0444 120.7578 47.62165 44.42196 19.78250 76.33580       51.56713 
1 1 1 -18 21 35 o 71.55876 22.53484 175.3301       105.5584 -322.4415      464.0229 202.4954       108.4006 70.84715 34.52777 76.42287 22.60365 -5.575722      41.26854 
1 1 1 -18 21 36 o 56.67238 22.46198 81.74402       111.0230 602.3630       477.8359 52.03487       114.1469 104.8333 44.54648 53.31584 22.15569 51.51750       49.75202 
1 1 1 -18 21 37 o 96.92998 22.31954 330.3899       124.2570 421.0037       499.7501 324.4189       128.2857 93.76926 42.42181 95.42416 23.15998 -1.654892      48.33213 
1 1 1 -18 21 38 o 73.66008 23.49980 194.9133       114.4675 -52.23939      470.4444 210.4664       118.0142 75.20563 36.19357 76.19599 23.80342 -0.9903641     43.31947 
1 1 1 -18 21 39 o 99.70940 21.40219 349.3181       121.4100 247.8099       482.4879 356.1800       125.4465 84.05177 39.31430 100.2904 21.93962 -16.23866      45.02178 
1 1 1 -18 21 40 o 52.32627 22.85944 28.40195       132.7602 -127.9898      434.4892 44.50687       139.4284 69.64510 33.82081 54.70316 23.66586 14.94195       41.27857 
1 1 1 -18 21 41 o 98.71426 24.06288 362.5479       138.0244 814.5844       419.4958 307.6708       146.1626 111.9563 43.88004 88.80544 26.24219 23.15081       51.12837 
1 1 1 -18 22 1  o 129.6946 15.20305 505.3154       113.4462 471.7654       123.2482 691.4252       290.2815 124.8080 17.30270 146.7195 34.34523 -21.91151      38.45749 
1 1 1 -18 22 2  o 511.0577 13.81359 7735.020       413.6457 8130.071       571.8432 7301.450       599.0731 521.8218 18.71579 493.4687 20.74625 28.35306       27.94079 
1 1 1 -18 22 3  o 292.1298 11.59425 2522.707       198.2465 2722.785       243.2260 2126.709       342.1814 303.0324 13.72141 265.2900 22.19630 37.74234       26.09507 
1 1 1 -18 22 4  o 300.3077 11.32730 2664.790       199.1426 2555.266       242.1515 2893.640       350.0323 293.4454 14.11186 310.7594 19.30111 -17.31403      23.90978 
1 1 1 -18 22 5  o 76.77115 22.56101 180.3757       108.2818 295.0117       118.9762 -372.6647      261.3232 97.39668 21.41326 56.00480 26.95864 41.39188       34.42812 
1 1 1 -18 22 6  o 226.0282 13.65623 1517.141       180.1827 1386.385       191.1789 2556.695       539.0549 215.7005 15.21010 286.3263 32.68602 -70.62585      36.05167 
1 1 1 -18 22 7  o 105.1779 18.98685 339.7367       112.8105 430.3892       128.1658 27.95948       237.6865 118.6874 19.05756 74.35478 31.49914 44.33266       36.81557 
1 1 1 -18 22 8  o 218.8774 42.66042 1570.596       527.9302 0.000000       0.000000 1570.596       527.9302 ?        ?        218.8774 42.66042 0.000000       42.66042 
1 1 1 -18 22 9  o 320.1654 10.56586 3025.753       198.1228 2956.094       266.9195 3111.217       295.6546 315.5488 14.46170 323.4075 15.63408 -7.858673      21.29708 
1 1 1 -18 22 10 o 205.7735 9.451651 1249.840       113.7591 0.000000       0.000000 1249.840       113.7591 ?        ?        205.7735 9.451651 0.000000       9.451651 
1 1 1 -18 22 11 o 197.9063 10.12581 1157.537       117.1370 0.000000       0.000000 1157.537       117.1370 ?        ?        197.9063 10.12581 0.000000       10.12581 
1 1 1 -18 22 12 o 283.6100 8.828292 2370.581       146.6627 0.000000       0.000000 2370.581       146.6627 ?        ?        283.6100 8.828292 0.000000       8.828292 
1 1 1 -18 22 13 o 162.2157 11.54263 781.0534       109.0941 0.000000       0.000000 781.0534       109.0941 ?        ?        162.2157 11.54263 0.000000       11.54263 
1 1 1 -18 22 14 o 193.5085 10.80302 1108.690       122.1148 0.000000       0.000000 1108.690       122.1148 ?        ?        193.5085 10.80302 0.000000       10.80302 
1 1 1 -18 22 15 o 165.1222 11.50453 809.6569       110.7134 0.000000       0.000000 809.6569       110.7134 ?        ?        165.1222 11.50453 0.000000       11.50453 
1 1 1 -18 22 16 o 387.1439 9.808243 4424.392       222.5176 0.000000       0.000000 4424.392       222.5176 ?        ?        387.1439 9.808243 0.000000       9.808243 
1 1 1 -18 22 17 o 46.37508 20.32373 -20.80895      105.6738 0.000000       0.000000 -20.80895      105.6738 ?        ?        46.37508 20.32373 0.000000       20.32373 
1 1 1 -18 22 18 o 143.4394 14.53241 618.4554       120.5672 0.000000       0.000000 618.4554       120.5672 ?        ?        143.4394 14.53241 0.000000       14.53241 
1 1 1 -18 22 19 o 98.60166 19.93037 303.5399       111.2841 0.000000       0.000000 303.5399       111.2841 ?        ?        98.60166 19.93037 0.000000       19.93037 
1 1 1 -18 22 20 o 212.9422 10.49589 1344.711       130.6747 0.000000       0.000000 1344.711       130.6747 ?        ?        212.9422 10.49589 0.000000       10.49589 
1 1 1 -18 22 21 o 281.1660 9.026942 2336.686       148.6589 0.000000       0.000000 2336.686       148.6589 ?        ?        281.1660 9.026942 0.000000       9.026942 
1 1 1 -18 22 22 o 97.63581 20.20243 299.5384       111.8644 0.000000       0.000000 299.5384       111.8644 ?        ?        97.63581 20.20243 0.000000       20.20243 
1 1 1 -18 22 23 o 80.27900 22.36792 204.1641       109.2178 0.000000       0.000000 204.1641       109.2178 ?        ?        80.27900 22.36792 0.000000       22.36792 
1 1 1 -18 22 24 o 367.3044 8.835567 3988.817       190.3317 4602.365       681.4421 3936.902       198.2205 376.4315 31.14536 364.6394 9.276567 11.79208       32.49751 
1 1 1 -18 22 25 o 205.4041 10.86387 1257.611       130.4058 1245.922       587.5847 1258.217       133.7411 174.8840 52.84050 205.3663 11.14592 -30.48225      54.00324 
1 1 1 -18 22 26 o 292.5834 8.686741 2537.866       148.8936 2110.146       584.7844 2567.516       153.9678 238.3828 43.42783 294.1969 8.933979 -55.81415      44.33726 
1 1 1 -18 22 27 o 39.01559 18.25492 -91.38175      104.1645 274.3962       521.1057 -106.6053      106.3101 105.4468 45.68511 38.42782 18.12416 67.01898       49.14890 
1 1 1 -18 22 28 o 110.8917 17.04481 386.1668       107.3086 479.0396       476.0307 381.1947       110.1436 112.9529 45.90296 109.8919 17.69046 3.061073       49.19384 
1 1 1 -18 22 29 f 69.23689 23.99752 148.8895       118.8587 969.8206       539.2186 106.9648       121.8560 141.8900 50.94024 63.23830 23.94283 78.65166       56.28648 
1 1 1 -18 22 30 o 147.2463 13.18297 663.4306       112.6403 712.7297       512.5265 660.9285       115.4633 122.9757 48.41072 146.7886 13.56564 -23.81284      50.27548 
1 1 1 -18 22 31 o 112.7673 20.67066 417.5882       131.6698 0.000000       0.000000 417.5882       131.6698 ?        ?        112.7673 20.67066 0.000000       20.67066 
1 1 1 -18 22 32 o 50.19701 20.96886 34.22068       103.0247 627.2818       479.4000 5.504878       105.4894 113.8162 46.13432 47.33936 20.53222 66.47688       50.49701 
1 1 1 -18 22 33 o 49.78358 20.73319 36.92221       100.2746 570.3445       433.8179 6.814050       103.0657 108.5531 43.92786 46.76265 20.28846 61.79041       48.38676 
1 1 1 -18 22 34 o 41.87884 19.09633 -43.04268      103.7614 -87.26740      466.6898 -40.74284      106.4252 77.88867 37.09443 42.64971 19.40598 35.23896       41.86394 
1 1 1 -18 22 35 o 116.2396 17.24778 438.4478       114.0206 -346.2530      461.8399 489.3809       117.6628 69.47537 33.98579 123.2503 16.70784 -53.77496      37.87065 
1 1 1 -18 22 36 o 134.6231 15.62436 579.5355       121.0709 -42.18874      465.0141 624.7450       125.3955 76.70044 36.66599 139.8783 15.54795 -63.17783      39.82629 
1 1 1 -18 22 37 o 68.00522 23.83179 160.1843       117.3985 64.56391       508.0324 165.5785       120.6644 80.22560 38.34389 68.90810 24.16005 11.31750       45.32066 
1 1 1 -18 22 38 o 132.1496 16.24557 566.8677       123.2610 711.0189       524.6160 558.4451       126.8109 103.0354 45.21547 130.6114 16.95455 -27.57601      48.28970 
1 1 1 -18 22 39 o 131.4288 17.86674 575.1514       134.1539 753.5417       454.1360 558.0961       140.4206 106.5989 44.23593 128.2561 19.26285 -21.65715      48.24805 
1 1 1 -18 22 40 o 72.63046 25.51844 196.7061       134.6618 -321.2527      412.4647 258.5020       142.4685 63.29543 31.19234 81.61743 26.23533 -18.32200      40.75849 
1 1 1 -18 23 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 23 2  o 414.5266 12.54395 5081.624       304.6052 4886.949       381.8703 5422.169       505.0670 405.3967 16.09344 425.3350 20.30596 -19.93829      25.91005 
1 1 1 -18 23 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 23 4  o 349.4813 11.69933 3609.430       239.4543 3375.686       294.5638 4064.841       411.1599 337.1376 14.93485 368.5825 19.08566 -31.44495      24.23453 
1 1 1 -18 23 5  o 315.3828 11.57653 2939.864       213.7614 2918.239       264.7387 2980.374       362.3406 313.5361 14.43599 315.2255 19.69796 -1.689392      24.42145 
1 1 1 -18 23 6  o 346.2853 28.93506 3684.862       582.2701 0.000000       0.000000 3684.862       582.2701 ?        ?        346.2853 28.93506 0.000000       28.93506 
1 1 1 -18 23 7  o 108.8060 16.64487 359.7209       102.8432 0.000000       0.000000 359.7209       102.8432 ?        ?        108.8060 16.64487 0.000000       16.64487 
1 1 1 -18 23 8  o 233.6254 9.388414 1610.274       128.3741 0.000000       0.000000 1610.274       128.3741 ?        ?        233.6254 9.388414 0.000000       9.388414 
1 1 1 -18 23 9  o 209.5303 9.819540 1296.650       120.3313 0.000000       0.000000 1296.650       120.3313 ?        ?        209.5303 9.819540 0.000000       9.819540 
1 1 1 -18 23 10 o 377.2436 25.38035 4333.791       558.2584 0.000000       0.000000 4333.791       558.2584 ?        ?        377.2436 25.38035 0.000000       25.38035 
1 1 1 -18 23 11 o 262.0745 9.067046 2025.537       139.1510 0.000000       0.000000 2025.537       139.1510 ?        ?        262.0745 9.067046 0.000000       9.067046 
1 1 1 -18 23 12 o 317.8575 8.756533 2977.930       163.0802 0.000000       0.000000 2977.930       163.0802 ?        ?        317.8575 8.756533 0.000000       8.756533 
1 1 1 -18 23 13 o 218.1440 9.393153 1405.338       119.8909 0.000000       0.000000 1405.338       119.8909 ?        ?        218.1440 9.393153 0.000000       9.393153 
1 1 1 -18 23 14 o 184.1537 10.59252 1004.636       113.9185 0.000000       0.000000 1004.636       113.9185 ?        ?        184.1537 10.59252 0.000000       10.59252 
1 1 1 -18 23 15 o 243.7912 9.424363 1755.545       134.4937 0.000000       0.000000 1755.545       134.4937 ?        ?        243.7912 9.424363 0.000000       9.424363 
1 1 1 -18 23 16 o 77.83775 23.04265 187.5689       112.6112 0.000000       0.000000 187.5689       112.6112 ?        ?        77.83775 23.04265 0.000000       23.04265 
1 1 1 -18 23 17 o 80.96831 22.36748 205.7019       109.7290 0.000000       0.000000 205.7019       109.7290 ?        ?        80.96831 22.36748 0.000000       22.36748 
1 1 1 -18 23 18 o 187.1846 11.97041 1043.132       130.7217 0.000000       0.000000 1043.132       130.7217 ?        ?        187.1846 11.97041 0.000000       11.97041 
1 1 1 -18 23 19 o 243.2104 9.915404 1751.513       141.1340 0.000000       0.000000 1751.513       141.1340 ?        ?        243.2104 9.915404 0.000000       9.915404 
1 1 1 -18 23 20 o 220.4097 11.01116 1443.030       141.8851 0.000000       0.000000 1443.030       141.8851 ?        ?        220.4097 11.01116 0.000000       11.01116 
1 1 1 -18 23 21 o 44.32645 19.96063 -47.85687      109.1594 0.000000       0.000000 -47.85687      109.1594 ?        ?        44.32645 19.96063 0.000000       19.96063 
1 1 1 -18 23 22 f 74.04305 24.03670 166.9467       119.4046 0.000000       0.000000 166.9467       119.4046 ?        ?        74.04305 24.03670 0.000000       24.03670 
1 1 1 -18 23 23 o 291.1686 9.653527 2513.657       164.6191 0.000000       0.000000 2513.657       164.6191 ?        ?        291.1686 9.653527 0.000000       9.653527 
1 1 1 -18 23 24 o 50.45813 21.33799 15.33944       108.7525 0.000000       0.000000 15.33944       108.7525 ?        ?        50.45813 21.33799 0.000000       21.33799 
1 1 1 -18 23 25 o 31.65539 15.57004 -201.7362      101.1491 0.000000       0.000000 -201.7362      101.1491 ?        ?        31.65539 15.57004 0.000000       15.57004 
1 1 1 -18 23 26 o 113.9779 16.22825 403.3085       105.4172 40.53659       524.3638 418.5880       107.6143 95.17940 43.21637 116.1472 16.24176 -20.96782      46.16762 
1 1 1 -18 23 27 o 174.6955 10.85056 916.6467       110.6204 388.7386       486.5299 945.4249       113.5956 107.8355 45.34121 177.3788 10.97339 -69.54335      46.65019 
1 1 1 -18 23 28 o 143.1130 13.33212 625.7739       110.6125 751.5317       504.5788 619.4254       113.3701 128.2462 48.68293 142.1924 13.76678 -13.94614      50.59202 
1 1 1 -18 23 29 o 106.8319 20.68083 373.7460       124.8911 1220.414       519.4165 321.7934       128.6657 159.9810 49.93185 97.91441 22.82854 62.06664       54.90294 
1 1 1 -18 23 30 f 73.26283 24.58257 176.2465       124.5493 800.3839       446.1180 123.4863       129.7068 130.3697 46.38742 65.75967 24.74520 64.60999       52.57487 
1 1 1 -18 23 31 o 61.71605 22.55602 112.5635       106.3386 450.5781       469.7867 94.30947       109.1722 103.9016 44.16086 59.23247 22.60663 44.66917       49.61090 
1 1 1 -18 23 32 o 63.18460 22.78709 123.3529       108.0417 624.0044       464.9395 94.77479       111.0825 111.4488 45.33783 59.14817 22.74583 52.30059       50.72367 
1 1 1 -18 23 33 o 102.5911 19.23307 348.4344       111.4697 -33.34900      429.9113 375.9512       115.4168 77.83997 36.63050 106.7081 19.14604 -28.86811      41.33237 
1 1 1 -18 23 34 o 93.84332 20.66134 299.6969       110.6297 325.5754       463.8898 298.1363       113.9165 92.19566 41.36258 93.20258 21.30622 -1.006920      46.52760 
1 1 1 -18 23 35 o 46.93027 20.88642 -9.659674      115.7939 -28.13464      461.8809 -8.420631      119.6138 77.26942 36.82846 47.72570 21.23503 29.54372       42.51190 
1 1 1 -18 23 36 o 112.2431 19.89350 427.1795       126.1612 408.3070       462.4587 428.6970       131.1352 92.27483 41.35611 111.7878 20.76631 -19.51292      46.27707 
1 1 1 -18 23 37 o 85.77287 23.58170 268.1692       122.2942 348.5509       487.6885 262.7755       126.3306 88.61806 40.77707 84.47649 24.23712 4.141571       47.43635 
1 1 1 -18 23 38 o 70.01535 25.42343 175.8700       134.7812 536.8921       468.0011 143.2187       140.7442 95.06510 42.16743 65.86401 25.52969 29.20110       49.29358 
1 1 1 -18 23 39 o 92.73523 26.72688 336.6589       153.2903 341.0603       428.8719 336.0143       164.1327 85.43722 38.90636 91.45528 27.98753 -6.018066      47.92709 
1 1 1 -18 23 40 o 110.4073 23.29059 445.8413       146.0581 648.6154       403.0583 415.1888       156.7093 101.2708 41.81672 103.8952 25.82911 -2.624374      49.15059 
1 1 1 -18 24 1  o 256.5206 11.65707 1946.701       174.9145 2038.537       204.0187 1691.933       339.8105 262.1678 13.31264 235.3375 25.00259 26.83026       28.32589 
1 1 1 -18 24 2  o 277.4338 21.42973 2322.091       345.9787 0.000000       0.000000 2322.091       345.9787 ?        ?        277.4338 21.42973 0.000000       21.42973 
1 1 1 -18 24 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 24 4  o 386.4117 9.595937 4399.174       217.4644 0.000000       0.000000 4399.174       217.4644 ?        ?        386.4117 9.595937 0.000000       9.595937 
1 1 1 -18 24 5  o 147.8104 13.40875 651.7993       114.9735 0.000000       0.000000 651.7993       114.9735 ?        ?        147.8104 13.40875 0.000000       13.40875 
1 1 1 -18 24 6  o 183.9748 11.36483 1003.009       122.0243 0.000000       0.000000 1003.009       122.0243 ?        ?        183.9748 11.36483 0.000000       11.36483 
1 1 1 -18 24 7  o 356.5382 8.798905 3743.162       183.9862 0.000000       0.000000 3743.162       183.9862 ?        ?        356.5382 8.798905 0.000000       8.798905 
1 1 1 -18 24 8  f 37.97425 17.46259 -65.03697      89.24251 0.000000       0.000000 -65.03697      89.24251 ?        ?        37.97425 17.46259 0.000000       17.46259 
1 1 1 -18 24 9  o 212.2334 9.619156 1330.465       119.4183 0.000000       0.000000 1330.465       119.4183 ?        ?        212.2334 9.619156 0.000000       9.619156 
1 1 1 -18 24 10 o 175.4940 10.86244 912.7832       111.2515 0.000000       0.000000 912.7832       111.2515 ?        ?        175.4940 10.86244 0.000000       10.86244 
1 1 1 -18 24 11 o 56.38695 21.75220 65.03468       101.8158 0.000000       0.000000 65.03468       101.8158 ?        ?        56.38695 21.75220 0.000000       21.75220 
1 1 1 -18 24 12 o 45.29058 20.47619 -58.66036      116.2041 0.000000       0.000000 -58.66036      116.2041 ?        ?        45.29058 20.47619 0.000000       20.47619 
1 1 1 -18 24 13 o 79.33944 21.40805 196.5874       101.8989 0.000000       0.000000 196.5874       101.8989 ?        ?        79.33944 21.40805 0.000000       21.40805 
1 1 1 -18 24 14 o 181.9081 11.74750 983.6724       124.6578 0.000000       0.000000 983.6724       124.6578 ?        ?        181.9081 11.74750 0.000000       11.74750 
1 1 1 -18 24 15 o 193.3955 11.38434 1111.025       128.5522 0.000000       0.000000 1111.025       128.5522 ?        ?        193.3955 11.38434 0.000000       11.38434 
1 1 1 -18 24 16 o 115.9141 17.47094 411.6100       115.0824 0.000000       0.000000 411.6100       115.0824 ?        ?        115.9141 17.47094 0.000000       17.47094 
1 1 1 -18 24 17 o 211.9307 10.66624 1332.517       132.1471 0.000000       0.000000 1332.517       132.1471 ?        ?        211.9307 10.66624 0.000000       10.66624 
1 1 1 -18 24 18 o 269.2990 9.906331 2147.188       156.1915 0.000000       0.000000 2147.188       156.1915 ?        ?        269.2990 9.906331 0.000000       9.906331 
1 1 1 -18 24 19 o 272.2820 9.259207 2193.008       147.6423 0.000000       0.000000 2193.008       147.6423 ?        ?        272.2820 9.259207 0.000000       9.259207 
1 1 1 -18 24 20 o 140.9847 14.10988 599.2917       115.1005 0.000000       0.000000 599.2917       115.1005 ?        ?        140.9847 14.10988 0.000000       14.10988 
1 1 1 -18 24 21 o 123.0165 17.11662 464.8158       120.1497 0.000000       0.000000 464.8158       120.1497 ?        ?        123.0165 17.11662 0.000000       17.11662 
1 1 1 -18 24 22 f 170.3515 13.13068 872.0142       130.1731 0.000000       0.000000 872.0142       130.1731 ?        ?        170.3515 13.13068 0.000000       13.13068 
1 1 1 -18 24 23 f 35.58503 17.13451 -151.3579      105.7546 0.000000       0.000000 -151.3579      105.7546 ?        ?        35.58503 17.13451 0.000000       17.13451 
1 1 1 -18 24 24 o 106.4788 17.41282 354.2991       104.9834 0.000000       0.000000 354.2991       104.9834 ?        ?        106.4788 17.41282 0.000000       17.41282 
1 1 1 -18 24 25 o 103.9314 18.03676 341.0208       105.9551 0.000000       0.000000 341.0208       105.9551 ?        ?        103.9314 18.03676 0.000000       18.03676 
1 1 1 -18 24 26 o 52.47855 21.14523 49.90578       100.0415 0.000000       0.000000 49.90578       100.0415 ?        ?        52.47855 21.14523 0.000000       21.14523 
1 1 1 -18 24 27 f 138.3918 13.57036 586.4033       108.7274 0.000000       0.000000 586.4033       108.7274 ?        ?        138.3918 13.57036 0.000000       13.57036 
1 1 1 -18 24 28 o 121.2664 15.49770 458.7933       107.7038 273.5139       522.3129 467.0214       110.0694 99.68904 44.36361 122.2634 15.71326 -22.57434      47.06417 
1 1 1 -18 24 29 o 54.95656 21.74067 67.29230       103.8240 -44.70359      484.0385 72.69353       106.2981 84.29285 39.41087 56.06712 22.05432 28.22572       45.16204 
1 1 1 -18 24 30 o 72.85262 22.45969 177.8266       105.4580 1113.240       457.0063 125.2148       108.3832 152.8755 46.68533 63.91116 22.85066 88.96436       51.97762 
1 1 1 -18 24 31 o 134.8688 15.12873 571.2001       117.6039 229.9872       479.5419 593.0351       121.3084 91.36243 41.42175 137.3334 15.32207 -45.97093      44.16477 
1 1 1 -18 24 32 o 90.10619 25.86443 292.5043       143.8319 0.000000       0.000000 292.5043       143.8319 ?        ?        90.10619 25.86443 0.000000       25.86443 
1 1 1 -18 24 33 o 63.28993 23.41480 124.1594       115.1616 1341.866       514.2894 59.87820       118.1621 153.9260 49.87824 54.98918 22.66737 98.93684       54.78730 
1 1 1 -18 24 34 o 45.78259 20.56703 -21.25901      115.1146 -578.4941      454.3320 16.96783       118.9976 63.24385 31.44250 50.11026 21.77009 13.13359       38.24353 
1 1 1 -18 24 35 o 133.1147 17.20313 577.9892       131.1651 -198.9753      488.3287 638.4026       136.1691 72.91138 35.50851 140.2066 16.90046 -67.29517      39.32531 
1 1 1 -18 24 36 o 65.68605 24.29122 144.2492       123.9213 -436.9630      441.5511 193.9420       129.1102 63.98472 31.66838 73.18614 25.02495 -9.201420      40.36253 
1 1 1 -18 24 37 o 63.27198 24.06693 129.7028       123.4681 -743.4705      443.7308 202.9799       128.5445 57.80211 29.07401 74.18701 24.97436 -16.38490      38.32775 
1 1 1 -18 24 38 o 77.21135 26.65492 229.1465       146.5801 -49.62434      418.0241 268.2281       156.5180 71.08295 34.18594 82.36219 27.55635 -11.27924      43.90935 
1 1 1 -18 24 39 o 85.54693 26.59795 287.7889       147.5390 718.1582       382.6498 212.6350       159.9031 108.5591 42.09059 74.44915 27.58214 34.10992       50.32288 
1 1 1 -18 25 1  o 139.9506 30.74336 625.2642       245.4227 683.2064       479.7504 604.7261       285.6257 144.4913 48.24260 136.4492 35.39501 8.042084       59.83440 
1 1 1 -18 25 2  o 146.7880 12.67061 642.0541       108.0115 0.000000       0.000000 642.0541       108.0115 ?        ?        146.7880 12.67061 0.000000       12.67061 
1 1 1 -18 25 3  o 88.26046 19.39762 241.9672       97.66264 0.000000       0.000000 241.9672       97.66264 ?        ?        88.26046 19.39762 0.000000       19.39762 
1 1 1 -18 25 4  o 251.2324 9.432533 1862.761       138.7339 0.000000       0.000000 1862.761       138.7339 ?        ?        251.2324 9.432533 0.000000       9.432533 
1 1 1 -18 25 5  o 194.0423 11.21370 1115.719       127.0697 0.000000       0.000000 1115.719       127.0697 ?        ?        194.0423 11.21370 0.000000       11.21370 
1 1 1 -18 25 6  o 149.7614 11.92072 667.2270       103.8380 0.000000       0.000000 667.2270       103.8380 ?        ?        149.7614 11.92072 0.000000       11.92072 
1 1 1 -18 25 7  o 42.46331 18.79432 -27.84469      92.47562 0.000000       0.000000 -27.84469      92.47562 ?        ?        42.46331 18.79432 0.000000       18.79432 
1 1 1 -18 25 8  o 78.22370 21.55699 190.3004       102.0594 0.000000       0.000000 190.3004       102.0594 ?        ?        78.22370 21.55699 0.000000       21.55699 
1 1 1 -18 25 9  o 238.4153 9.623844 1679.164       134.2888 0.000000       0.000000 1679.164       134.2888 ?        ?        238.4153 9.623844 0.000000       9.623844 
1 1 1 -18 25 10 o 254.5217 9.371392 1913.011       139.6488 0.000000       0.000000 1913.011       139.6488 ?        ?        254.5217 9.371392 0.000000       9.371392 
1 1 1 -18 25 11 o 216.0903 10.15437 1381.841       128.3282 0.000000       0.000000 1381.841       128.3282 ?        ?        216.0903 10.15437 0.000000       10.15437 
1 1 1 -18 25 12 o 305.8894 8.817741 2761.286       158.0225 0.000000       0.000000 2761.286       158.0225 ?        ?        305.8894 8.817741 0.000000       8.817741 
1 1 1 -18 25 13 o 291.5844 9.080704 2510.907       155.0974 0.000000       0.000000 2510.907       155.0974 ?        ?        291.5844 9.080704 0.000000       9.080704 
1 1 1 -18 25 14 o 333.0878 11.18747 3288.601       218.2350 0.000000       0.000000 3288.601       218.2350 ?        ?        333.0878 11.18747 0.000000       11.18747 
1 1 1 -18 25 15 o 202.1561 11.19326 1214.107       132.1890 0.000000       0.000000 1214.107       132.1890 ?        ?        202.1561 11.19326 0.000000       11.19326 
1 1 1 -18 25 16 o 85.42464 22.30668 231.0261       112.9457 0.000000       0.000000 231.0261       112.9457 ?        ?        85.42464 22.30668 0.000000       22.30668 
1 1 1 -18 25 17 o 90.57937 21.24785 259.4896       110.9129 0.000000       0.000000 259.4896       110.9129 ?        ?        90.57937 21.24785 0.000000       21.24785 
1 1 1 -18 25 18 o 82.23370 23.33127 214.0095       117.7091 0.000000       0.000000 214.0095       117.7091 ?        ?        82.23370 23.33127 0.000000       23.33127 
1 1 1 -18 25 19 o 46.57799 20.10884 -4.532288      100.2513 0.000000       0.000000 -4.532288      100.2513 ?        ?        46.57799 20.10884 0.000000       20.10884 
1 1 1 -18 25 20 o 117.4585 16.41009 423.3133       109.9625 0.000000       0.000000 423.3133       109.9625 ?        ?        117.4585 16.41009 0.000000       16.41009 
1 1 1 -18 25 21 o 60.64110 23.33374 83.43102       116.9473 0.000000       0.000000 83.43102       116.9473 ?        ?        60.64110 23.33374 0.000000       23.33374 
1 1 1 -18 25 22 o 196.9823 11.32407 1160.166       130.2706 0.000000       0.000000 1160.166       130.2706 ?        ?        196.9823 11.32407 0.000000       11.32407 
1 1 1 -18 25 23 o 47.47903 20.74997 -10.55357      109.4815 0.000000       0.000000 -10.55357      109.4815 ?        ?        47.47903 20.74997 0.000000       20.74997 
1 1 1 -18 25 24 o 147.4741 13.26633 660.7943       113.5156 0.000000       0.000000 660.7943       113.5156 ?        ?        147.4741 13.26633 0.000000       13.26633 
1 1 1 -18 25 25 o 87.22917 21.32804 250.0220       108.1834 0.000000       0.000000 250.0220       108.1834 ?        ?        87.22917 21.32804 0.000000       21.32804 
1 1 1 -18 25 26 o 48.44472 20.71041 12.77284       104.3901 0.000000       0.000000 12.77284       104.3901 ?        ?        48.44472 20.71041 0.000000       20.71041 
1 1 1 -18 25 27 o 173.1330 11.51007 906.9004       116.2078 0.000000       0.000000 906.9004       116.2078 ?        ?        173.1330 11.51007 0.000000       11.51007 
1 1 1 -18 25 28 o 181.7901 11.25590 999.7297       119.4168 0.000000       0.000000 999.7297       119.4168 ?        ?        181.7901 11.25590 0.000000       11.25590 
1 1 1 -18 25 29 o 81.00381 22.64311 223.3596       111.7269 -39.13158      518.0318 236.1653       114.4198 84.90996 40.03518 83.19596 22.78460 1.713997       46.06466 
1 1 1 -18 25 30 o 56.13411 23.54984 49.96156       130.7945 0.000000       0.000000 49.96156       130.7945 ?        ?        56.13411 23.54984 0.000000       23.54984 
1 1 1 -18 25 31 o 186.0600 11.70600 1057.449       127.0882 1113.663       508.3883 1053.702       131.2555 140.3835 49.56072 185.4542 12.13451 -45.07071      51.02462 
1 1 1 -18 25 32 o 127.2820 16.67269 520.4734       121.4688 788.8940       484.4533 502.4664       125.4770 117.2122 46.76921 124.3675 17.70236 -7.155289      50.00732 
1 1 1 -18 25 33 o 96.45168 22.30649 325.1212       123.6650 65.80222       537.2174 339.6314       127.0777 83.36784 39.73048 98.51035 22.49171 -15.14252      45.65510 
1 1 1 -18 25 34 o 161.7636 14.00697 822.6335       131.5767 799.3386       505.4003 824.3271       136.2760 111.6597 46.52808 161.5150 14.54208 -49.85530      48.74766 
1 1 1 -18 25 35 o 47.93353 21.61630 -19.43053      128.5526 -3.711636      508.0717 -20.50568      132.8763 78.00893 37.56059 48.55702 21.92981 29.45191       43.49385 
1 1 1 -18 25 36 f 139.0499 16.08444 626.9041       128.7521 274.5953       458.2535 657.0989       134.1561 84.66502 39.16081 142.1321 16.39420 -57.46708      42.45396 
1 1 1 -18 25 37 o 65.44704 24.66588 145.6051       128.9876 0.6621912      373.2696 165.2603       137.4554 70.68717 33.52353 68.39380 25.52785 2.293373       42.13667 
1 1 1 -18 25 38 o 66.70535 25.49519 153.6724       138.9825 49.50482       368.5133 170.9459       150.0641 71.85309 33.84438 69.23405 26.48458 2.619034       42.97528 
1 1 1 -18 26 1  o 84.67249 20.40548 223.9306       100.1303 394.2210       517.1992 217.2994       102.0612 123.9774 48.68358 83.38062 20.91086 40.59674       52.98448 
1 1 1 -18 26 2  o 240.3974 9.743852 1707.261       137.0914 0.000000       0.000000 1707.261       137.0914 ?        ?        240.3974 9.743852 0.000000       9.743852 
1 1 1 -18 26 3  o 163.1539 11.94802 791.5610       113.5330 0.000000       0.000000 791.5610       113.5330 ?        ?        163.1539 11.94802 0.000000       11.94802 
1 1 1 -18 26 4  o 259.0706 9.506434 1981.899       144.1947 0.000000       0.000000 1981.899       144.1947 ?        ?        259.0706 9.506434 0.000000       9.506434 
1 1 1 -18 26 5  o 311.8403 34.26304 3092.347       616.3162 0.000000       0.000000 3092.347       616.3162 ?        ?        311.8403 34.26304 0.000000       34.26304 
1 1 1 -18 26 6  o 163.1620 11.54594 791.2394       109.7703 0.000000       0.000000 791.2394       109.7703 ?        ?        163.1620 11.54594 0.000000       11.54594 
1 1 1 -18 26 7  f 39.37127 18.08185 -66.66986      95.26202 0.000000       0.000000 -66.66986      95.26202 ?        ?        39.37127 18.08185 0.000000       18.08185 
1 1 1 -18 26 8  o 105.9060 20.89605 349.7259       125.1769 0.000000       0.000000 349.7259       125.1769 ?        ?        105.9060 20.89605 0.000000       20.89605 
1 1 1 -18 26 9  o 249.5226 9.546066 1840.299       139.4386 0.000000       0.000000 1840.299       139.4386 ?        ?        249.5226 9.546066 0.000000       9.546066 
1 1 1 -18 26 10 f 286.0854 8.959534 2416.595       150.1398 0.000000       0.000000 2416.595       150.1398 ?        ?        286.0854 8.959534 0.000000       8.959534 
1 1 1 -18 26 11 o 78.37937 21.33756 192.5420       100.6965 0.000000       0.000000 192.5420       100.6965 ?        ?        78.37937 21.33756 0.000000       21.33756 
1 1 1 -18 26 12 o 333.7795 9.088643 3290.588       177.7481 0.000000       0.000000 3290.588       177.7481 ?        ?        333.7795 9.088643 0.000000       9.088643 
1 1 1 -18 26 13 o 126.1804 16.40132 484.5210       118.5033 0.000000       0.000000 484.5210       118.5033 ?        ?        126.1804 16.40132 0.000000       16.40132 
1 1 1 -18 26 14 o 81.36694 23.56933 208.1299       118.9308 0.000000       0.000000 208.1299       118.9308 ?        ?        81.36694 23.56933 0.000000       23.56933 
1 1 1 -18 26 15 o 170.3913 13.04863 868.8060       129.4035 0.000000       0.000000 868.8060       129.4035 ?        ?        170.3913 13.04863 0.000000       13.04863 
1 1 1 -18 26 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 26 17 o 70.70667 24.09274 146.1412       119.6509 0.000000       0.000000 146.1412       119.6509 ?        ?        70.70667 24.09274 0.000000       24.09274 
1 1 1 -18 26 18 o 113.0103 16.90530 393.1593       108.6075 0.000000       0.000000 393.1593       108.6075 ?        ?        113.0103 16.90530 0.000000       16.90530 
1 1 1 -18 26 19 o 140.9467 14.50357 601.9445       118.1800 0.000000       0.000000 601.9445       118.1800 ?        ?        140.9467 14.50357 0.000000       14.50357 
1 1 1 -18 26 20 o 73.87906 23.18193 170.8766       111.8057 0.000000       0.000000 170.8766       111.8057 ?        ?        73.87906 23.18193 0.000000       23.18193 
1 1 1 -18 26 21 o 179.1673 11.82774 963.1644       123.5876 0.000000       0.000000 963.1644       123.5876 ?        ?        179.1673 11.82774 0.000000       11.82774 
1 1 1 -18 26 22 o 72.72725 22.86550 168.2166       108.7216 0.000000       0.000000 168.2166       108.7216 ?        ?        72.72725 22.86550 0.000000       22.86550 
1 1 1 -18 26 23 o 56.95663 21.69865 79.68439       100.4625 0.000000       0.000000 79.68439       100.4625 ?        ?        56.95663 21.69865 0.000000       21.69865 
1 1 1 -18 26 24 o 50.72513 20.90735 36.72704       100.5103 0.000000       0.000000 36.72704       100.5103 ?        ?        50.72513 20.90735 0.000000       20.90735 
1 1 1 -18 26 25 o 40.79954 18.64432 -52.17083      99.59907 0.000000       0.000000 -52.17083      99.59907 ?        ?        40.79954 18.64432 0.000000       18.64432 
1 1 1 -18 26 26 o 42.93647 19.42177 -40.25391      104.7021 0.000000       0.000000 -40.25391      104.7021 ?        ?        42.93647 19.42177 0.000000       19.42177 
1 1 1 -18 26 27 o 44.26471 19.89841 -32.25911      107.9524 0.000000       0.000000 -32.25911      107.9524 ?        ?        44.26471 19.89841 0.000000       19.89841 
1 1 1 -18 26 28 o 58.88652 22.79631 89.68359       112.1131 0.000000       0.000000 89.68359       112.1131 ?        ?        58.88652 22.79631 0.000000       22.79631 
1 1 1 -18 26 29 o 91.67828 21.70622 286.1958       114.8905 0.000000       0.000000 286.1958       114.8905 ?        ?        91.67828 21.70622 0.000000       21.70622 
1 1 1 -18 26 30 o 58.96726 23.05638 91.33504       115.5873 0.000000       0.000000 91.33504       115.5873 ?        ?        58.96726 23.05638 0.000000       23.05638 
1 1 1 -18 26 31 o 61.61119 23.22760 112.9781       114.4039 44.14093       591.3601 115.6546       116.6068 86.04077 41.18961 62.18032 23.44841 23.86045       47.39633 
1 1 1 -18 26 32 o 94.16933 23.20932 314.1147       127.3451 0.000000       0.000000 314.1147       127.3451 ?        ?        94.16933 23.20932 0.000000       23.20932 
1 1 1 -18 26 33 o 73.37046 24.59249 191.8729       124.6531 1072.469       551.7748 144.5131       127.9612 124.0360 49.77024 66.33608 24.65562 57.69990       55.54257 
1 1 1 -18 26 34 o 54.12564 22.90833 50.50620       125.5245 -584.7218      507.0102 91.98479       129.5579 65.24752 32.56267 59.29240 24.00149 5.955116       40.45243 
1 1 1 -18 26 35 o 100.2752 23.08201 362.0716       132.9290 32.52945       506.5238 386.4464       137.7574 78.15071 37.59684 103.5581 23.25271 -25.40736      44.20646 
1 1 1 -18 26 36 o 37.79083 18.32740 -163.3561      126.4753 58.02874       400.6920 -187.8534      133.2893 74.04486 35.00225 37.89278 18.47569 36.15208       39.57915 
1 1 1 -18 26 37 o 64.93522 24.70155 142.4957       130.0719 87.68400       358.7045 150.7940       139.5712 73.06855 34.08512 66.41619 25.50773 6.652359       42.57276 
1 1 1 -18 27 1  o 139.3837 13.91152 582.9019       112.2027 562.6815       524.2402 583.8726       114.8644 134.0819 49.89140 139.4243 14.24750 -5.342392      51.88587 
1 1 1 -18 27 2  o 133.3421 15.93865 537.7976       122.1777 0.000000       0.000000 537.7976       122.1777 ?        ?        133.3421 15.93865 0.000000       15.93865 
1 1 1 -18 27 3  o 105.0365 19.03380 341.3009       112.9348 0.000000       0.000000 341.3009       112.9348 ?        ?        105.0365 19.03380 0.000000       19.03380 
1 1 1 -18 27 4  o 155.9436 13.31832 727.2448       120.6409 0.000000       0.000000 727.2448       120.6409 ?        ?        155.9436 13.31832 0.000000       13.31832 
1 1 1 -18 27 5  o 182.9895 11.03695 994.1332       117.8969 0.000000       0.000000 994.1332       117.8969 ?        ?        182.9895 11.03695 0.000000       11.03695 
1 1 1 -18 27 6  o 203.4568 10.16088 1226.111       120.8587 0.000000       0.000000 1226.111       120.8587 ?        ?        203.4568 10.16088 0.000000       10.16088 
1 1 1 -18 27 7  o 135.0818 13.25184 547.1324       103.6346 0.000000       0.000000 547.1324       103.6346 ?        ?        135.0818 13.25184 0.000000       13.25184 
1 1 1 -18 27 8  f 316.6544 9.144752 2961.682       169.6496 0.000000       0.000000 2961.682       169.6496 ?        ?        316.6544 9.144752 0.000000       9.144752 
1 1 1 -18 27 9  o 35.72598 16.99797 -120.1446      97.51376 0.000000       0.000000 -120.1446      97.51376 ?        ?        35.72598 16.99797 0.000000       16.99797 
1 1 1 -18 27 10 o 42.53894 19.12534 -43.63237      99.76675 0.000000       0.000000 -43.63237      99.76675 ?        ?        42.53894 19.12534 0.000000       19.12534 
1 1 1 -18 27 11 o 222.6125 10.23381 1468.854       133.2520 0.000000       0.000000 1468.854       133.2520 ?        ?        222.6125 10.23381 0.000000       10.23381 
1 1 1 -18 27 12 o 69.62195 22.99397 143.6259       109.0608 0.000000       0.000000 143.6259       109.0608 ?        ?        69.62195 22.99397 0.000000       22.99397 
1 1 1 -18 27 13 f 94.49778 20.97062 281.8477       113.1839 0.000000       0.000000 281.8477       113.1839 ?        ?        94.49778 20.97062 0.000000       20.97062 
1 1 1 -18 27 14 o 291.9124 9.383829 2521.431       160.4422 0.000000       0.000000 2521.431       160.4422 ?        ?        291.9124 9.383829 0.000000       9.383829 
1 1 1 -18 27 15 o 210.5729 11.15880 1319.417       137.3148 0.000000       0.000000 1319.417       137.3148 ?        ?        210.5729 11.15880 0.000000       11.15880 
1 1 1 -18 27 16 o 155.4299 14.91448 730.7236       134.2880 0.000000       0.000000 730.7236       134.2880 ?        ?        155.4299 14.91448 0.000000       14.91448 
1 1 1 -18 27 17 o 58.33632 23.31556 61.26257       120.5997 0.000000       0.000000 61.26257       120.5997 ?        ?        58.33632 23.31556 0.000000       23.31556 
1 1 1 -18 27 18 o 219.2482 32.51564 1605.850       405.4486 0.000000       0.000000 1605.850       405.4486 ?        ?        219.2482 32.51564 0.000000       32.51564 
1 1 1 -18 27 19 o 59.22719 22.72248 81.62888       110.6742 0.000000       0.000000 81.62888       110.6742 ?        ?        59.22719 22.72248 0.000000       22.72248 
1 1 1 -18 27 20 o 49.80395 20.98279 19.68836       104.5262 0.000000       0.000000 19.68836       104.5262 ?        ?        49.80395 20.98279 0.000000       20.98279 
1 1 1 -18 27 21 o 123.2894 14.83033 467.3061       105.0821 0.000000       0.000000 467.3061       105.0821 ?        ?        123.2894 14.83033 0.000000       14.83033 
1 1 1 -18 27 22 o 88.86556 20.50499 257.3735       104.6948 0.000000       0.000000 257.3735       104.6948 ?        ?        88.86556 20.50499 0.000000       20.50499 
1 1 1 -18 27 23 o 133.4398 14.68705 549.0656       113.0415 0.000000       0.000000 549.0656       113.0415 ?        ?        133.4398 14.68705 0.000000       14.68705 
1 1 1 -18 27 24 f 120.0130 16.40301 452.0282       112.4341 0.000000       0.000000 452.0282       112.4341 ?        ?        120.0130 16.40301 0.000000       16.40301 
1 1 1 -18 27 25 o 47.33537 20.20022 14.17653       98.99423 0.000000       0.000000 14.17653       98.99423 ?        ?        47.33537 20.20022 0.000000       20.20022 
1 1 1 -18 27 26 o 64.33266 22.50418 128.2561       104.6532 0.000000       0.000000 128.2561       104.6532 ?        ?        64.33266 22.50418 0.000000       22.50418 
1 1 1 -18 27 27 o 141.4795 14.92679 624.7565       121.9894 0.000000       0.000000 624.7565       121.9894 ?        ?        141.4795 14.92679 0.000000       14.92679 
1 1 1 -18 27 28 o 53.31908 22.91745 25.91303       129.1050 0.000000       0.000000 25.91303       129.1050 ?        ?        53.31908 22.91745 0.000000       22.91745 
1 1 1 -18 27 29 o 48.91751 21.43843 2.686113       117.5895 0.000000       0.000000 2.686113       117.5895 ?        ?        48.91751 21.43843 0.000000       21.43843 
1 1 1 -18 27 30 o 60.81073 24.71925 88.97412       138.0879 0.000000       0.000000 88.97412       138.0879 ?        ?        60.81073 24.71925 0.000000       24.71925 
1 1 1 -18 27 31 o 48.22134 22.34084 -69.83564      150.0545 0.000000       0.000000 -69.83564      150.0545 ?        ?        48.22134 22.34084 0.000000       22.34084 
1 1 1 -18 27 32 o 52.24198 22.60552 27.35530       127.2640 0.000000       0.000000 27.35530       127.2640 ?        ?        52.24198 22.60552 0.000000       22.60552 
1 1 1 -18 27 33 o 55.11247 23.09531 59.40906       125.5781 605.7499       490.1603 21.02955       129.9140 100.3789 43.88632 51.77119 22.61510 48.60769       49.37056 
1 1 1 -18 27 34 o 93.32574 24.01189 319.5806       132.1794 2103.772       519.7336 196.2000       136.6732 203.4253 44.77922 73.26315 25.71086 130.1622       51.63551 
1 1 1 -18 27 35 o 48.03067 21.75984 -20.39709      132.0394 -388.2096      393.5662 26.25351       140.1629 60.81239 30.06188 53.17726 23.35255 7.635132       38.06649 
1 1 1 -18 27 36 o 82.86989 25.54672 263.4256       136.4421 201.7488       378.5437 272.6349       146.2743 78.66389 36.09693 83.56009 26.55425 -4.896202      44.81201 
1 1 1 -18 27 37 o 54.89227 23.63071 52.68227       137.6775 35.90665       402.2545 54.90821       146.5272 72.02704 34.34079 56.09138 24.26364 15.93566       42.04776 
1 1 1 -18 28 1  o 209.1253 21.92319 1342.872       264.8894 2433.843       541.0824 998.9890       303.7819 274.2671 34.39291 176.3380 30.47613 97.92906       45.95288 
1 1 1 -18 28 2  o 192.4854 11.62295 1101.745       130.5980 0.000000       0.000000 1101.745       130.5980 ?        ?        192.4854 11.62295 0.000000       11.62295 
1 1 1 -18 28 3  o 327.6341 18.79524 3244.542       359.6344 0.000000       0.000000 3244.542       359.6344 ?        ?        327.6341 18.79524 0.000000       18.79524 
1 1 1 -18 28 4  o 348.2590 28.80127 3810.234       582.9984 3810.234       582.9984 0.000000       0.000000 348.2590 28.80127 ?        ?        0.000000       28.80127 
1 1 1 -18 28 5  o 81.53636 22.79105 209.1338       113.1941 0.000000       0.000000 209.1338       113.1941 ?        ?        81.53636 22.79105 0.000000       22.79105 
1 1 1 -18 28 6  o 93.53391 20.56008 274.9780       109.7026 0.000000       0.000000 274.9780       109.7026 ?        ?        93.53391 20.56008 0.000000       20.56008 
1 1 1 -18 28 7  f 49.62839 21.19853 3.570962       109.2026 0.000000       0.000000 3.570962       109.2026 ?        ?        49.62839 21.19853 0.000000       21.19853 
1 1 1 -18 28 8  o 211.6579 10.31769 1328.478       127.6901 0.000000       0.000000 1328.478       127.6901 ?        ?        211.6579 10.31769 0.000000       10.31769 
1 1 1 -18 28 9  o 96.80833 18.96026 292.2617       103.7952 0.000000       0.000000 292.2617       103.7952 ?        ?        96.80833 18.96026 0.000000       18.96026 
1 1 1 -18 28 10 o 124.1712 15.92507 469.1614       113.3055 0.000000       0.000000 469.1614       113.3055 ?        ?        124.1712 15.92507 0.000000       15.92507 
1 1 1 -18 28 11 o 43.33926 19.58240 -50.78445      106.0962 0.000000       0.000000 -50.78445      106.0962 ?        ?        43.33926 19.58240 0.000000       19.58240 
1 1 1 -18 28 12 o 171.5546 13.12964 881.9016       131.0972 0.000000       0.000000 881.9016       131.0972 ?        ?        171.5546 13.12964 0.000000       13.12964 
1 1 1 -18 28 13 o 190.8689 11.27032 1085.357       125.5986 0.000000       0.000000 1085.357       125.5986 ?        ?        190.8689 11.27032 0.000000       11.27032 
1 1 1 -18 28 14 o 123.1838 18.34656 469.4498       128.5057 0.000000       0.000000 469.4498       128.5057 ?        ?        123.1838 18.34656 0.000000       18.34656 
1 1 1 -18 28 15 o 197.1320 11.43699 1159.772       131.6590 0.000000       0.000000 1159.772       131.6590 ?        ?        197.1320 11.43699 0.000000       11.43699 
1 1 1 -18 28 16 o 52.77354 22.20023 21.82279       116.7263 0.000000       0.000000 21.82279       116.7263 ?        ?        52.77354 22.20023 0.000000       22.20023 
1 1 1 -18 28 17 o 114.6293 22.85306 423.4449       148.2419 0.000000       0.000000 423.4449       148.2419 ?        ?        114.6293 22.85306 0.000000       22.85306 
1 1 1 -18 28 18 o 57.51642 22.70823 68.06821       113.0660 0.000000       0.000000 68.06821       113.0660 ?        ?        57.51642 22.70823 0.000000       22.70823 
1 1 1 -18 28 19 o 68.02930 22.84569 142.0602       107.5692 0.000000       0.000000 142.0602       107.5692 ?        ?        68.02930 22.84569 0.000000       22.84569 
1 1 1 -18 28 20 o 197.6693 31.25407 1352.700       350.2914 0.000000       0.000000 1352.700       350.2914 ?        ?        197.6693 31.25407 0.000000       31.25407 
1 1 1 -18 28 21 o 41.62455 19.15074 -65.46135      107.5175 0.000000       0.000000 -65.46135      107.5175 ?        ?        41.62455 19.15074 0.000000       19.15074 
1 1 1 -18 28 22 o 83.66766 22.03128 232.7119       109.5752 0.000000       0.000000 232.7119       109.5752 ?        ?        83.66766 22.03128 0.000000       22.03128 
1 1 1 -18 28 23 o 64.99579 22.34872 130.9262       103.0096 0.000000       0.000000 130.9262       103.0096 ?        ?        64.99579 22.34872 0.000000       22.34872 
1 1 1 -18 28 24 o 95.30547 20.16739 298.6611       109.2030 0.000000       0.000000 298.6611       109.2030 ?        ?        95.30547 20.16739 0.000000       20.16739 
1 1 1 -18 28 25 o 34.43890 16.74606 -168.0222      107.4628 0.000000       0.000000 -168.0222      107.4628 ?        ?        34.43890 16.74606 0.000000       16.74606 
1 1 1 -18 28 26 o 50.47730 21.18123 33.28435       105.8427 0.000000       0.000000 33.28435       105.8427 ?        ?        50.47730 21.18123 0.000000       21.18123 
1 1 1 -18 28 27 o 156.4595 13.38459 757.1176       121.6382 0.000000       0.000000 757.1176       121.6382 ?        ?        156.4595 13.38459 0.000000       13.38459 
1 1 1 -18 28 28 o 51.41558 21.93509 28.70689       116.6683 0.000000       0.000000 28.70689       116.6683 ?        ?        51.41558 21.93509 0.000000       21.93509 
1 1 1 -18 28 29 o 96.51336 22.12711 322.3559       122.5664 0.000000       0.000000 322.3559       122.5664 ?        ?        96.51336 22.12711 0.000000       22.12711 
1 1 1 -18 28 30 o 57.46912 24.60890 49.93025       147.8320 0.000000       0.000000 49.93025       147.8320 ?        ?        57.46912 24.60890 0.000000       24.60890 
1 1 1 -18 28 31 o 71.61253 27.19142 175.5585       157.4368 0.000000       0.000000 175.5585       157.4368 ?        ?        71.61253 27.19142 0.000000       27.19142 
1 1 1 -18 28 32 o 63.86855 24.87755 125.9670       134.1529 0.000000       0.000000 125.9670       134.1529 ?        ?        63.86855 24.87755 0.000000       24.87755 
1 1 1 -18 28 33 o 75.88882 26.10822 214.4603       140.5869 0.000000       0.000000 214.4603       140.5869 ?        ?        75.88882 26.10822 0.000000       26.10822 
1 1 1 -18 28 34 o 151.8708 17.74508 764.8333       155.0774 0.000000       0.000000 764.8333       155.0774 ?        ?        151.8708 17.74508 0.000000       17.74508 
1 1 1 -18 28 35 o 40.47505 19.62502 -176.3031      144.8203 0.000000       0.000000 -176.3031      144.8203 ?        ?        40.47505 19.62502 0.000000       19.62502 
1 1 1 -18 28 36 o 52.53487 23.37044 16.45098       144.8113 -201.3918      461.1454 40.28297       152.5269 68.09592 33.44406 55.48733 24.36408 12.60860       41.37769 
1 1 1 -18 29 1  o 260.7163 9.795802 2012.093       149.5153 3035.632       538.1365 1926.472       155.6433 309.0724 30.06765 254.9402 10.43182 54.13223       31.82588 
1 1 1 -18 29 2  o 227.4921 10.04988 1533.449       133.7532 1577.912       518.6195 1530.281       138.4364 213.4332 42.92124 227.1689 10.41858 -13.73567      44.16763 
1 1 1 -18 29 3  o 198.5061 11.20626 1171.437       129.9325 0.000000       0.000000 1171.437       129.9325 ?        ?        198.5061 11.20626 0.000000       11.20626 
1 1 1 -18 29 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 29 5  o 202.0405 11.33279 1214.043       133.7462 0.000000       0.000000 1214.043       133.7462 ?        ?        202.0405 11.33279 0.000000       11.33279 
1 1 1 -18 29 6  o 106.4587 18.60791 351.5197       111.9522 0.000000       0.000000 351.5197       111.9522 ?        ?        106.4587 18.60791 0.000000       18.60791 
1 1 1 -18 29 7  o 55.12931 22.17507 48.61361       109.8188 0.000000       0.000000 48.61361       109.8188 ?        ?        55.12931 22.17507 0.000000       22.17507 
1 1 1 -18 29 8  o 45.95515 20.07904 -15.27139      102.4610 0.000000       0.000000 -15.27139      102.4610 ?        ?        45.95515 20.07904 0.000000       20.07904 
1 1 1 -18 29 9  o 139.3391 14.60368 586.8938       117.5691 0.000000       0.000000 586.8938       117.5691 ?        ?        139.3391 14.60368 0.000000       14.60368 
1 1 1 -18 29 10 o 286.3356 9.201126 2426.905       154.3130 0.000000       0.000000 2426.905       154.3130 ?        ?        286.3356 9.201126 0.000000       9.201126 
1 1 1 -18 29 11 o 304.2978 9.332890 2742.342       166.3611 0.000000       0.000000 2742.342       166.3611 ?        ?        304.2978 9.332890 0.000000       9.332890 
1 1 1 -18 29 12 o 145.7689 14.25730 642.4744       120.3290 0.000000       0.000000 642.4744       120.3290 ?        ?        145.7689 14.25730 0.000000       14.25730 
1 1 1 -18 29 13 o 234.6126 10.09731 1635.806       138.6085 0.000000       0.000000 1635.806       138.6085 ?        ?        234.6126 10.09731 0.000000       10.09731 
1 1 1 -18 29 14 o 59.45540 22.58943 84.27927       108.6973 0.000000       0.000000 84.27927       108.6973 ?        ?        59.45540 22.58943 0.000000       22.58943 
1 1 1 -18 29 15 o 122.7457 16.18941 464.1568       113.7047 0.000000       0.000000 464.1568       113.7047 ?        ?        122.7457 16.18941 0.000000       16.18941 
1 1 1 -18 29 16 o 86.21817 22.64975 242.5175       115.9893 0.000000       0.000000 242.5175       115.9893 ?        ?        86.21817 22.64975 0.000000       22.64975 
1 1 1 -18 29 17 o 100.1265 19.97542 321.5244       113.1852 0.000000       0.000000 321.5244       113.1852 ?        ?        100.1265 19.97542 0.000000       19.97542 
1 1 1 -18 29 18 o 54.92811 22.30388 52.04460       112.2784 0.000000       0.000000 52.04460       112.2784 ?        ?        54.92811 22.30388 0.000000       22.30388 
1 1 1 -18 29 19 o 74.23954 22.81263 179.5771       108.9068 0.000000       0.000000 179.5771       108.9068 ?        ?        74.23954 22.81263 0.000000       22.81263 
1 1 1 -18 29 20 o 38.88917 18.12020 -79.39571      100.9091 0.000000       0.000000 -79.39571      100.9091 ?        ?        38.88917 18.12020 0.000000       18.12020 
1 1 1 -18 29 21 o 73.22691 22.13429 176.4692       103.0872 0.000000       0.000000 176.4692       103.0872 ?        ?        73.22691 22.13429 0.000000       22.13429 
1 1 1 -18 29 22 o 162.8013 16.62329 829.6550       156.4926 0.000000       0.000000 829.6550       156.4926 ?        ?        162.8013 16.62329 0.000000       16.62329 
1 1 1 -18 29 23 o 86.65566 21.68598 252.0551       109.9369 0.000000       0.000000 252.0551       109.9369 ?        ?        86.65566 21.68598 0.000000       21.68598 
1 1 1 -18 29 24 o 99.36240 19.92487 325.6944       112.0648 0.000000       0.000000 325.6944       112.0648 ?        ?        99.36240 19.92487 0.000000       19.92487 
1 1 1 -18 29 25 o 98.09588 20.64135 322.2130       114.9852 0.000000       0.000000 322.2130       114.9852 ?        ?        98.09588 20.64135 0.000000       20.64135 
1 1 1 -18 29 26 o 80.66812 23.12690 225.9037       115.0641 0.000000       0.000000 225.9037       115.0641 ?        ?        80.66812 23.12690 0.000000       23.12690 
1 1 1 -18 29 27 o 67.83618 23.29791 153.0533       111.9356 0.000000       0.000000 153.0533       111.9356 ?        ?        67.83618 23.29791 0.000000       23.29791 
1 1 1 -18 29 28 f 98.75520 21.36257 334.3033       120.1237 0.000000       0.000000 334.3033       120.1237 ?        ?        98.75520 21.36257 0.000000       21.36257 
1 1 1 -18 29 29 o 70.17935 25.40606 168.0588       134.4630 0.000000       0.000000 168.0588       134.4630 ?        ?        70.17935 25.40606 0.000000       25.40606 
1 1 1 -18 29 30 o 57.38534 24.05380 66.51385       136.2697 0.000000       0.000000 66.51385       136.2697 ?        ?        57.38534 24.05380 0.000000       24.05380 
1 1 1 -18 29 31 o 53.54902 23.06596 37.40290       131.3231 0.000000       0.000000 37.40290       131.3231 ?        ?        53.54902 23.06596 0.000000       23.06596 
1 1 1 -18 29 32 o 77.08789 25.97675 222.5898       139.0694 0.000000       0.000000 222.5898       139.0694 ?        ?        77.08789 25.97675 0.000000       25.97675 
1 1 1 -18 29 33 o 140.6392 19.66039 673.2627       157.7372 0.000000       0.000000 673.2627       157.7372 ?        ?        140.6392 19.66039 0.000000       19.66039 
1 1 1 -18 29 34 o 76.35740 27.44746 225.1561       156.6028 0.000000       0.000000 225.1561       156.6028 ?        ?        76.35740 27.44746 0.000000       27.44746 
1 1 1 -18 29 35 o 61.86942 25.52938 109.4769       150.0871 0.000000       0.000000 109.4769       150.0871 ?        ?        61.86942 25.52938 0.000000       25.52938 
1 1 1 -18 30 1  o 215.8771 11.79479 1388.665       148.7627 2364.319       531.8228 1305.846       154.9481 267.5361 34.71246 209.0558 12.69774 58.48026       36.96198 
1 1 1 -18 30 2  o 257.1424 10.34233 1961.904       155.6523 2931.131       536.9702 1872.994       162.6350 301.6101 30.78800 251.0229 11.07440 50.58713       32.71915 
1 1 1 -18 30 3  o 351.7284 27.45894 3910.264       561.9383 3910.264       561.9383 0.000000       0.000000 351.7284 27.45894 ?        ?        0.000000       27.45894 
1 1 1 -18 30 4  o 256.6165 10.38074 1954.492       155.9072 0.000000       0.000000 1954.492       155.9072 ?        ?        256.6165 10.38074 0.000000       10.38074 
1 1 1 -18 30 5  f 228.0593 19.26829 1591.406       255.3070 0.000000       0.000000 1591.406       255.3070 ?        ?        228.0593 19.26829 0.000000       19.26829 
1 1 1 -18 30 6  o 150.0736 14.31496 679.8832       124.4679 0.000000       0.000000 679.8832       124.4679 ?        ?        150.0736 14.31496 0.000000       14.31496 
1 1 1 -18 30 7  o 57.68329 22.94422 61.11467       116.2352 0.000000       0.000000 61.11467       116.2352 ?        ?        57.68329 22.94422 0.000000       22.94422 
1 1 1 -18 30 8  o 257.8273 10.17522 1973.967       153.5570 0.000000       0.000000 1973.967       153.5570 ?        ?        257.8273 10.17522 0.000000       10.17522 
1 1 1 -18 30 9  o 167.2180 12.06737 837.3256       117.5480 0.000000       0.000000 837.3256       117.5480 ?        ?        167.2180 12.06737 0.000000       12.06737 
1 1 1 -18 30 10 o 47.40524 20.88786 -21.95760      113.0105 0.000000       0.000000 -21.95760      113.0105 ?        ?        47.40524 20.88786 0.000000       20.88786 
1 1 1 -18 30 11 o 50.14199 21.68589 -2.405068      117.0019 0.000000       0.000000 -2.405068      117.0019 ?        ?        50.14199 21.68589 0.000000       21.68589 
1 1 1 -18 30 12 o 136.0408 14.60147 563.6467       114.6765 0.000000       0.000000 563.6467       114.6765 ?        ?        136.0408 14.60147 0.000000       14.60147 
1 1 1 -18 30 13 o 48.34122 21.16115 -12.56527      114.2706 0.000000       0.000000 -12.56527      114.2706 ?        ?        48.34122 21.16115 0.000000       21.16115 
1 1 1 -18 30 14 o 63.23912 22.57111 113.6711       105.7010 0.000000       0.000000 113.6711       105.7010 ?        ?        63.23912 22.57111 0.000000       22.57111 
1 1 1 -18 30 15 o 52.76219 21.83380 36.60132       110.2062 0.000000       0.000000 36.60132       110.2062 ?        ?        52.76219 21.83380 0.000000       21.83380 
1 1 1 -18 30 16 o 68.75211 23.10484 146.9064       110.0222 0.000000       0.000000 146.9064       110.0222 ?        ?        68.75211 23.10484 0.000000       23.10484 
1 1 1 -18 30 17 o 106.6751 19.07589 364.2417       114.9622 0.000000       0.000000 364.2417       114.9622 ?        ?        106.6751 19.07589 0.000000       19.07589 
1 1 1 -18 30 18 o 100.2233 19.91328 325.7241       112.9214 0.000000       0.000000 325.7241       112.9214 ?        ?        100.2233 19.91328 0.000000       19.91328 
1 1 1 -18 30 19 o 65.99516 22.87617 134.2509       108.0114 0.000000       0.000000 134.2509       108.0114 ?        ?        65.99516 22.87617 0.000000       22.87617 
1 1 1 -18 30 20 o 47.65068 20.75993 -1.124668      108.8516 0.000000       0.000000 -1.124668      108.8516 ?        ?        47.65068 20.75993 0.000000       20.75993 
1 1 1 -18 30 21 o 62.51059 22.55325 115.7978       105.8487 0.000000       0.000000 115.7978       105.8487 ?        ?        62.51059 22.55325 0.000000       22.55325 
1 1 1 -18 30 22 o 172.9052 11.94878 909.8126       120.4212 0.000000       0.000000 909.8126       120.4212 ?        ?        172.9052 11.94878 0.000000       11.94878 
1 1 1 -18 30 23 o 126.3507 15.30516 501.4121       111.1046 0.000000       0.000000 501.4121       111.1046 ?        ?        126.3507 15.30516 0.000000       15.30516 
1 1 1 -18 30 24 o 91.99475 22.09204 289.6906       117.6885 0.000000       0.000000 289.6906       117.6885 ?        ?        91.99475 22.09204 0.000000       22.09204 
1 1 1 -18 30 25 o 73.74099 33.00640 68.60331       293.5313 0.000000       0.000000 68.60331       293.5313 ?        ?        73.74099 33.00640 0.000000       33.00640 
1 1 1 -18 30 26 o 54.08562 22.06252 60.64475       110.4610 0.000000       0.000000 60.64475       110.4610 ?        ?        54.08562 22.06252 0.000000       22.06252 
1 1 1 -18 30 27 o 225.3538 10.97574 1547.933       144.6243 0.000000       0.000000 1547.933       144.6243 ?        ?        225.3538 10.97574 0.000000       10.97574 
1 1 1 -18 30 28 o 73.17233 24.72451 189.5677       125.9846 0.000000       0.000000 189.5677       125.9846 ?        ?        73.17233 24.72451 0.000000       24.72451 
1 1 1 -18 30 29 o 84.04209 25.10697 261.0434       133.2117 0.000000       0.000000 261.0434       133.2117 ?        ?        84.04209 25.10697 0.000000       25.10697 
1 1 1 -18 30 30 o 78.59855 26.39937 231.4028       143.6367 0.000000       0.000000 231.4028       143.6367 ?        ?        78.59855 26.39937 0.000000       26.39937 
1 1 1 -18 30 31 o 195.4160 18.79953 1273.290       212.8001 0.000000       0.000000 1273.290       212.8001 ?        ?        195.4160 18.79953 0.000000       18.79953 
1 1 1 -18 30 32 o 84.97855 26.63504 281.0113       147.6361 0.000000       0.000000 281.0113       147.6361 ?        ?        84.97855 26.63504 0.000000       26.63504 
1 1 1 -18 30 33 o 60.02216 25.56028 80.55822       157.9109 0.000000       0.000000 80.55822       157.9109 ?        ?        60.02216 25.56028 0.000000       25.56028 
1 1 1 -18 30 34 o 62.39325 25.71306 113.3369       151.9989 0.000000       0.000000 113.3369       151.9989 ?        ?        62.39325 25.71306 0.000000       25.71306 
1 1 1 -18 31 1  o 73.86673 24.43310 166.0908       123.1251 -192.6417      444.7526 195.8661       128.1330 83.27776 38.54037 78.96658 24.82237 4.311180       45.84224 
1 1 1 -18 31 2  o 45.01113 20.65809 -77.81509      124.0544 -454.1927      497.7003 -52.88242      128.0974 79.37484 37.94128 47.89196 21.58954 31.48288       43.65373 
1 1 1 -18 31 3  o 311.7115 30.01617 3159.053       541.9531 3159.053       541.9531 0.000000       0.000000 311.7115 30.01617 ?        ?        0.000000       30.01617 
1 1 1 -18 31 4  o 139.7123 14.73473 592.6231       118.9173 1120.841       516.2908 563.0302       122.2030 169.5348 49.10706 135.8565 15.62132 33.67824       51.53182 
1 1 1 -18 31 5  o 79.72758 23.66681 202.7879       118.6634 0.000000       0.000000 202.7879       118.6634 ?        ?        79.72758 23.66681 0.000000       23.66681 
1 1 1 -18 31 6  o 55.05023 22.50492 43.68773       115.2420 0.000000       0.000000 43.68773       115.2420 ?        ?        55.05023 22.50492 0.000000       22.50492 
1 1 1 -18 31 7  o 147.2455 13.78634 656.1769       117.6690 579.4629       478.6078 661.1123       121.3951 125.9980 47.50721 147.6674 14.19189 -21.66943      49.58169 
1 1 1 -18 31 8  o 92.21233 21.89422 274.5849       116.6278 0.000000       0.000000 274.5849       116.6278 ?        ?        92.21233 21.89422 0.000000       21.89422 
1 1 1 -18 31 9  o 34.29845 16.71258 -185.2958      108.5795 0.000000       0.000000 -185.2958      108.5795 ?        ?        34.29845 16.71258 0.000000       16.71258 
1 1 1 -18 31 10 o 50.05178 21.22766 15.35056       108.1534 0.000000       0.000000 15.35056       108.1534 ?        ?        50.05178 21.22766 0.000000       21.22766 
1 1 1 -18 31 11 o 64.30417 22.95110 118.1004       109.2897 0.000000       0.000000 118.1004       109.2897 ?        ?        64.30417 22.95110 0.000000       22.95110 
1 1 1 -18 31 12 o 67.70505 22.79376 140.6003       107.0771 0.000000       0.000000 140.6003       107.0771 ?        ?        67.70505 22.79376 0.000000       22.79376 
1 1 1 -18 31 13 o 106.0691 18.35272 356.7071       110.0358 0.000000       0.000000 356.7071       110.0358 ?        ?        106.0691 18.35272 0.000000       18.35272 
1 1 1 -18 31 14 o 148.3444 13.37863 670.4456       115.1452 0.000000       0.000000 670.4456       115.1452 ?        ?        148.3444 13.37863 0.000000       13.37863 
1 1 1 -18 31 15 o 47.32501 20.42791 3.609137       103.4239 0.000000       0.000000 3.609137       103.4239 ?        ?        47.32501 20.42791 0.000000       20.42791 
1 1 1 -18 31 16 o 122.7080 15.76774 469.0078       110.8536 0.000000       0.000000 469.0078       110.8536 ?        ?        122.7080 15.76774 0.000000       15.76774 
1 1 1 -18 31 17 o 46.22184 20.52094 -20.75668      111.0884 0.000000       0.000000 -20.75668      111.0884 ?        ?        46.22184 20.52094 0.000000       20.52094 
1 1 1 -18 31 18 o 92.43259 20.76403 282.0426       109.8051 0.000000       0.000000 282.0426       109.8051 ?        ?        92.43259 20.76403 0.000000       20.76403 
1 1 1 -18 31 19 o 77.54735 23.19678 202.0362       113.6563 0.000000       0.000000 202.0362       113.6563 ?        ?        77.54735 23.19678 0.000000       23.19678 
1 1 1 -18 31 20 o 85.88828 23.15782 251.6293       119.2906 0.000000       0.000000 251.6293       119.2906 ?        ?        85.88828 23.15782 0.000000       23.15782 
1 1 1 -18 31 21 o 144.1532 15.08270 649.0905       125.6277 0.000000       0.000000 649.0905       125.6277 ?        ?        144.1532 15.08270 0.000000       15.08270 
1 1 1 -18 31 22 o 166.8710 12.82988 856.0359       124.5976 0.000000       0.000000 856.0359       124.5976 ?        ?        166.8710 12.82988 0.000000       12.82988 
1 1 1 -18 31 23 o 46.85482 20.92813 -19.43407      117.3507 0.000000       0.000000 -19.43407      117.3507 ?        ?        46.85482 20.92813 0.000000       20.92813 
1 1 1 -18 31 24 o 80.60593 22.54230 225.5918       110.7070 0.000000       0.000000 225.5918       110.7070 ?        ?        80.60593 22.54230 0.000000       22.54230 
1 1 1 -18 31 25 o 130.4069 17.03772 548.2363       127.1922 0.000000       0.000000 548.2363       127.1922 ?        ?        130.4069 17.03772 0.000000       17.03772 
1 1 1 -18 31 26 o 108.9013 20.76118 403.3659       127.7590 0.000000       0.000000 403.3659       127.7590 ?        ?        108.9013 20.76118 0.000000       20.76118 
1 1 1 -18 31 27 o 86.80570 35.59371 305.2236       289.3600 0.000000       0.000000 305.2236       289.3600 ?        ?        86.80570 35.59371 0.000000       35.59371 
1 1 1 -18 31 28 o 72.16901 26.00060 185.3345       140.6200 0.000000       0.000000 185.3345       140.6200 ?        ?        72.16901 26.00060 0.000000       26.00060 
1 1 1 -18 31 29 o 115.8031 21.43822 465.7682       140.2383 0.000000       0.000000 465.7682       140.2383 ?        ?        115.8031 21.43822 0.000000       21.43822 
1 1 1 -18 31 30 o 181.8565 15.44990 1061.869       163.2219 0.000000       0.000000 1061.869       163.2219 ?        ?        181.8565 15.44990 0.000000       15.44990 
1 1 1 -18 31 31 o 112.6671 23.45603 460.5014       149.9440 0.000000       0.000000 460.5014       149.9440 ?        ?        112.6671 23.45603 0.000000       23.45603 
1 1 1 -18 31 32 o 85.95441 27.27538 292.8189       154.3746 0.000000       0.000000 292.8189       154.3746 ?        ?        85.95441 27.27538 0.000000       27.27538 
1 1 1 -18 32 1  o 38.47923 18.46371 -159.3475      120.3647 45.98222       419.6298 -177.7554      125.6443 89.65207 39.83849 38.63830 18.62276 51.01377       43.97628 
1 1 1 -18 32 2  o 60.01091 23.35272 80.50664       118.1228 41.81207       436.2878 83.56742       122.7057 90.66111 40.43322 61.06687 23.79071 29.59424       46.91315 
1 1 1 -18 32 3  o 56.50618 26.28060 -141.6492      210.7379 587.3571       474.4190 -320.8531      235.2177 124.4550 47.21443 52.10558 25.20359 72.34938       53.52031 
1 1 1 -18 32 4  o 123.1648 16.20070 468.3735       114.1882 664.0662       472.6915 456.2459       117.6733 129.7568 47.53488 121.2278 17.01911 8.528961       50.48975 
1 1 1 -18 32 5  o 46.87420 20.55725 -13.98012      108.2906 -288.9409      470.9381 1.370214       111.2724 80.02581 37.86446 49.10893 21.19334 30.91688       43.39211 
1 1 1 -18 32 6  o 114.5010 17.41084 409.5002       113.2394 2032.033       488.6029 317.4015       116.4089 240.2070 35.77293 99.33911 20.65524 140.8679       41.30788 
1 1 1 -18 32 7  o 74.22081 23.14048 176.3113       111.5908 333.4346       468.2126 166.8487       114.9019 106.5007 44.61025 72.70584 23.57733 33.79488       50.45756 
1 1 1 -18 32 8  o 202.6721 10.80687 1230.167       127.9887 1413.895       490.5060 1216.744       132.5817 188.7794 44.95168 201.3767 11.27094 -12.59731      46.34315 
1 1 1 -18 32 9  o 59.17358 23.07832 79.94541       115.5680 0.000000       0.000000 79.94541       115.5680 ?        ?        59.17358 23.07832 0.000000       23.07832 
1 1 1 -18 32 10 o 126.2904 16.77782 497.3153       121.1958 0.000000       0.000000 497.3153       121.1958 ?        ?        126.2904 16.77782 0.000000       16.77782 
1 1 1 -18 32 11 o 121.0364 16.54481 457.3170       114.3724 0.000000       0.000000 457.3170       114.3724 ?        ?        121.0364 16.54481 0.000000       16.54481 
1 1 1 -18 32 12 o 51.81095 21.63991 31.84216       109.7005 0.000000       0.000000 31.84216       109.7005 ?        ?        51.81095 21.63991 0.000000       21.63991 
1 1 1 -18 32 13 o 132.3825 14.22214 538.9725       108.6900 0.000000       0.000000 538.9725       108.6900 ?        ?        132.3825 14.22214 0.000000       14.22214 
1 1 1 -18 32 14 o 115.2321 15.90337 415.1795       104.6138 0.000000       0.000000 415.1795       104.6138 ?        ?        115.2321 15.90337 0.000000       15.90337 
1 1 1 -18 32 15 o 59.15076 22.45071 91.57915       107.2995 0.000000       0.000000 91.57915       107.2995 ?        ?        59.15076 22.45071 0.000000       22.45071 
1 1 1 -18 32 16 o 92.31340 21.99450 284.7395       117.3753 0.000000       0.000000 284.7395       117.3753 ?        ?        92.31340 21.99450 0.000000       21.99450 
1 1 1 -18 32 17 o 114.7436 18.33430 422.4140       119.2287 0.000000       0.000000 422.4140       119.2287 ?        ?        114.7436 18.33430 0.000000       18.33430 
1 1 1 -18 32 18 o 42.40360 19.44146 -56.55262      109.4923 0.000000       0.000000 -56.55262      109.4923 ?        ?        42.40360 19.44146 0.000000       19.44146 
1 1 1 -18 32 19 o 51.00254 21.39521 33.90994       107.9419 0.000000       0.000000 33.90994       107.9419 ?        ?        51.00254 21.39521 0.000000       21.39521 
1 1 1 -18 32 20 o 44.14486 20.23937 -55.75126      118.6557 0.000000       0.000000 -55.75126      118.6557 ?        ?        44.14486 20.23937 0.000000       20.23937 
1 1 1 -18 32 21 o 63.08142 23.61595 118.1056       117.8165 0.000000       0.000000 118.1056       117.8165 ?        ?        63.08142 23.61595 0.000000       23.61595 
1 1 1 -18 32 22 o 59.01036 23.04199 92.09349       115.3150 0.000000       0.000000 92.09349       115.3150 ?        ?        59.01036 23.04199 0.000000       23.04199 
1 1 1 -18 32 23 o 104.8700 20.30928 369.7678       120.3962 0.000000       0.000000 369.7678       120.3962 ?        ?        104.8700 20.30928 0.000000       20.30928 
1 1 1 -18 32 24 o 58.81821 23.90063 82.19245       129.0382 0.000000       0.000000 82.19245       129.0382 ?        ?        58.81821 23.90063 0.000000       23.90063 
1 1 1 -18 32 25 o 63.69009 24.42301 123.8080       127.8183 0.000000       0.000000 123.8080       127.8183 ?        ?        63.69009 24.42301 0.000000       24.42301 
1 1 1 -18 32 26 o 104.5249 23.04996 387.5985       137.4951 0.000000       0.000000 387.5985       137.4951 ?        ?        104.5249 23.04996 0.000000       23.04996 
1 1 1 -18 32 27 o 57.24944 24.40261 57.98778       144.1701 0.000000       0.000000 57.98778       144.1701 ?        ?        57.24944 24.40261 0.000000       24.40261 
1 1 1 -18 32 28 o 84.10944 27.43247 273.6922       155.4288 0.000000       0.000000 273.6922       155.4288 ?        ?        84.10944 27.43247 0.000000       27.43247 
1 1 1 -18 32 29 o 59.57041 25.23822 78.03498       152.6122 0.000000       0.000000 78.03498       152.6122 ?        ?        59.57041 25.23822 0.000000       25.23822 
1 1 1 -18 32 30 o 124.8883 42.42376 878.4197       370.9519 0.000000       0.000000 878.4197       370.9519 ?        ?        124.8883 42.42376 0.000000       42.42376 
1 1 1 -18 32 31 o 147.1508 19.93441 742.1614       167.6147 0.000000       0.000000 742.1614       167.6147 ?        ?        147.1508 19.93441 0.000000       19.93441 
1 1 1 -18 33 1  o 126.3907 17.65544 500.4643       127.3052 831.1940       432.6642 469.1177       133.2017 141.3595 45.74453 121.5525 19.33179 19.80706       49.66166 
1 1 1 -18 33 2  o 78.79516 25.69501 201.2977       136.3667 823.2451       457.6238 140.6886       142.8567 139.2200 47.12159 70.41019 26.07333 68.80985       53.85409 
1 1 1 -18 33 3  o 66.90957 27.76533 75.06304       178.9084 478.1275       435.4044 -6.814694      196.2404 113.1754 44.59938 62.32317 27.49047 50.85225       52.39112 
1 1 1 -18 33 4  o 101.6896 21.49797 337.1403       124.1950 846.2118       447.5251 294.6629       129.2726 141.2039 46.57635 94.18937 23.48424 47.01458       52.16192 
1 1 1 -18 33 5  o 255.3403 9.920333 1947.117       148.2754 1996.329       468.0470 1941.627       156.3273 236.3971 34.79976 254.7092 10.48744 -18.31215      36.34570 
1 1 1 -18 33 6  o 72.20379 24.01388 165.3169       118.8939 375.7017       452.7946 149.7373       123.2175 106.1420 44.11902 69.97137 24.42270 36.17065       50.42773 
1 1 1 -18 33 7  o 76.80488 23.26680 193.5010       113.8185 0.000000       0.000000 193.5010       113.8185 ?        ?        76.80488 23.26680 0.000000       23.26680 
1 1 1 -18 33 8  o 121.3604 16.50732 460.2885       114.4481 208.7632       459.3494 476.9359       118.1748 96.56724 42.34524 123.4575 16.75327 -26.89030      45.53890 
1 1 1 -18 33 9  o 133.3266 15.52452 551.0369       119.1225 120.3912       466.8891 581.0226       123.2000 92.37457 41.46523 136.8996 15.62409 -44.52498      44.31114 
1 1 1 -18 33 10 o 183.8285 11.37122 1019.199       121.9943 649.1389       478.0166 1044.981       126.1724 121.7218 47.08498 186.0329 11.62249 -64.31106      48.49822 
1 1 1 -18 33 11 o 105.2907 19.97196 359.7986       118.8169 0.000000       0.000000 359.7986       118.8169 ?        ?        105.2907 19.97196 0.000000       19.97196 
1 1 1 -18 33 12 o 114.9039 17.92717 420.1564       116.8661 0.000000       0.000000 420.1564       116.8661 ?        ?        114.9039 17.92717 0.000000       17.92717 
1 1 1 -18 33 13 o 63.74363 23.35264 117.7906       114.0858 0.000000       0.000000 117.7906       114.0858 ?        ?        63.74363 23.35264 0.000000       23.35264 
1 1 1 -18 33 14 o 61.36972 22.83376 105.6577       109.8040 0.000000       0.000000 105.6577       109.8040 ?        ?        61.36972 22.83376 0.000000       22.83376 
1 1 1 -18 33 15 o 121.1421 16.60918 463.7869       114.8997 0.000000       0.000000 463.7869       114.8997 ?        ?        121.1421 16.60918 0.000000       16.60918 
1 1 1 -18 33 16 o 94.02006 20.97372 295.0412       112.7078 0.000000       0.000000 295.0412       112.7078 ?        ?        94.02006 20.97372 0.000000       20.97372 
1 1 1 -18 33 17 o 101.0757 20.41652 339.3391       116.8545 0.000000       0.000000 339.3391       116.8545 ?        ?        101.0757 20.41652 0.000000       20.41652 
1 1 1 -18 33 18 o 43.70057 19.87212 -42.97453      111.3886 0.000000       0.000000 -42.97453      111.3886 ?        ?        43.70057 19.87212 0.000000       19.87212 
1 1 1 -18 33 19 o 63.17136 23.71037 118.0153       118.9203 0.000000       0.000000 118.0153       118.9203 ?        ?        63.17136 23.71037 0.000000       23.71037 
1 1 1 -18 33 20 o 97.54543 21.77028 325.1026       121.3826 0.000000       0.000000 325.1026       121.3826 ?        ?        97.54543 21.77028 0.000000       21.77028 
1 1 1 -18 33 21 o 77.22128 24.28623 209.6263       122.6424 0.000000       0.000000 209.6263       122.6424 ?        ?        77.22128 24.28623 0.000000       24.28623 
1 1 1 -18 33 22 o 133.6609 17.15285 577.2665       131.3638 0.000000       0.000000 577.2665       131.3638 ?        ?        133.6609 17.15285 0.000000       17.15285 
1 1 1 -18 33 23 o 47.84293 21.36672 -12.82859      122.2791 0.000000       0.000000 -12.82859      122.2791 ?        ?        47.84293 21.36672 0.000000       21.36672 
1 1 1 -18 33 24 o 69.99251 25.33984 168.3497       133.7654 0.000000       0.000000 168.3497       133.7654 ?        ?        69.99251 25.33984 0.000000       25.33984 
1 1 1 -18 33 25 o 58.54835 24.04205 82.18191       132.2641 0.000000       0.000000 82.18191       132.2641 ?        ?        58.54835 24.04205 0.000000       24.04205 
1 1 1 -18 33 26 o 60.76733 25.01221 93.41481       143.5930 0.000000       0.000000 93.41481       143.5930 ?        ?        60.76733 25.01221 0.000000       25.01221 
1 1 1 -18 33 27 o 47.65185 21.86901 -42.66060      139.0015 0.000000       0.000000 -42.66060      139.0015 ?        ?        47.65185 21.86901 0.000000       21.86901 
1 1 1 -18 33 28 o 81.49508 27.55359 260.4337       156.4662 0.000000       0.000000 260.4337       156.4662 ?        ?        81.49508 27.55359 0.000000       27.55359 
1 1 1 -18 33 29 o 159.6597 20.06165 871.8044       183.7134 0.000000       0.000000 871.8044       183.7134 ?        ?        159.6597 20.06165 0.000000       20.06165 
1 1 1 -18 33 30 o 58.81372 25.82022 54.69961       171.2364 0.000000       0.000000 54.69961       171.2364 ?        ?        58.81372 25.82022 0.000000       25.82022 
1 1 1 -18 34 1  o 105.3878 22.46267 367.2100       134.5891 -119.6142      412.3430 425.2595       142.3875 78.62593 36.63326 113.7879 22.13361 -35.16201      42.80061 
1 1 1 -18 34 2  o 172.0996 42.75512 1200.047       429.6121 1200.047       429.6121 0.000000       0.000000 172.0996 42.75512 ?        ?        0.000000       42.75512 
1 1 1 -18 34 3  o 172.1646 13.49487 904.1445       135.1701 673.7776       445.2382 927.5324       141.8658 124.6266 46.05186 174.1306 14.00974 -49.50407      48.13571 
1 1 1 -18 34 4  o 58.64744 24.51407 48.57628       140.9366 0.000000       0.000000 48.57628       140.9366 ?        ?        58.64744 24.51407 0.000000       24.51407 
1 1 1 -18 34 5  f 60.19185 24.51314 69.29783       136.0941 0.000000       0.000000 69.29783       136.0941 ?        ?        60.19185 24.51314 0.000000       24.51314 
1 1 1 -18 34 6  o 90.08012 24.05262 274.3398       129.4572 446.8708       457.0738 259.2924       134.9846 108.2387 44.59592 87.34510 25.05143 20.89357       51.15047 
1 1 1 -18 34 7  o 76.45528 23.89981 193.6719       118.9519 543.7634       446.4095 166.9146       123.4139 114.0737 45.09534 72.17405 24.47045 41.89967       51.30685 
1 1 1 -18 34 8  o 42.87499 19.71629 -65.26804      113.7658 593.5544       454.7750 -109.2489      117.5017 117.0129 45.73901 40.47222 19.07794 76.54068       49.55830 
1 1 1 -18 34 9  f 230.5077 10.06449 1593.518       135.7312 1811.401       472.4665 1573.919       141.7047 216.6569 38.59872 228.8122 10.58848 -12.15523      40.02470 
1 1 1 -18 34 10 o 87.12138 22.24636 254.6049       114.0498 204.4268       444.0963 258.1480       118.0076 93.19820 41.22096 87.52982 22.77375 5.668381       47.09364 
1 1 1 -18 34 11 o 140.7616 14.48199 613.0213       117.8498 28.16058       441.8919 657.8052       122.2786 84.71284 38.91975 145.8541 14.48616 -61.14123      41.52826 
1 1 1 -18 34 12 o 45.09259 20.47712 -45.98919      117.7750 0.000000       0.000000 -45.98919      117.7750 ?        ?        45.09259 20.47712 0.000000       20.47712 
1 1 1 -18 34 13 o 63.75444 23.50658 119.6635       115.8952 0.000000       0.000000 119.6635       115.8952 ?        ?        63.75444 23.50658 0.000000       23.50658 
1 1 1 -18 34 14 o 51.15485 21.96989 18.95321       118.4734 0.000000       0.000000 18.95321       118.4734 ?        ?        51.15485 21.96989 0.000000       21.96989 
1 1 1 -18 34 15 o 68.75539 24.48481 151.7290       124.3166 0.000000       0.000000 151.7290       124.3166 ?        ?        68.75539 24.48481 0.000000       24.48481 
1 1 1 -18 34 16 o 63.47852 23.75419 119.3425       119.1730 0.000000       0.000000 119.3425       119.1730 ?        ?        63.47852 23.75419 0.000000       23.75419 
1 1 1 -18 34 17 o 77.49213 23.93106 208.2983       119.6669 0.000000       0.000000 208.2983       119.6669 ?        ?        77.49213 23.93106 0.000000       23.93106 
1 1 1 -18 34 18 o 49.92570 21.68348 12.19756       117.9803 0.000000       0.000000 12.19756       117.9803 ?        ?        49.92570 21.68348 0.000000       21.68348 
1 1 1 -18 34 19 o 94.80530 22.74990 312.8258       124.8751 0.000000       0.000000 312.8258       124.8751 ?        ?        94.80530 22.74990 0.000000       22.74990 
1 1 1 -18 34 20 o 60.91739 23.96698 101.4323       125.5570 0.000000       0.000000 101.4323       125.5570 ?        ?        60.91739 23.96698 0.000000       23.96698 
1 1 1 -18 34 21 o 63.56067 24.74015 118.9757       132.6010 0.000000       0.000000 118.9757       132.6010 ?        ?        63.56067 24.74015 0.000000       24.74015 
1 1 1 -18 34 22 o 83.43118 25.22781 255.1906       133.8991 0.000000       0.000000 255.1906       133.8991 ?        ?        83.43118 25.22781 0.000000       25.22781 
1 1 1 -18 34 23 f 107.1462 23.35635 409.1414       142.6169 0.000000       0.000000 409.1414       142.6169 ?        ?        107.1462 23.35635 0.000000       23.35635 
1 1 1 -18 34 24 o 87.56811 24.45397 281.9516       130.3807 0.000000       0.000000 281.9516       130.3807 ?        ?        87.56811 24.45397 0.000000       24.45397 
1 1 1 -18 34 25 o 146.6274 17.62199 707.6469       148.5043 0.000000       0.000000 707.6469       148.5043 ?        ?        146.6274 17.62199 0.000000       17.62199 
1 1 1 -18 34 26 o 72.62073 26.65587 193.4323       148.7552 0.000000       0.000000 193.4323       148.7552 ?        ?        72.62073 26.65587 0.000000       26.65587 
1 1 1 -18 34 27 f 44.77684 21.25493 -114.1879      150.7233 0.000000       0.000000 -114.1879      150.7233 ?        ?        44.77684 21.25493 0.000000       21.25493 
1 1 1 -18 34 28 o 102.4375 27.13642 410.8268       165.6024 0.000000       0.000000 410.8268       165.6024 ?        ?        102.4375 27.13642 0.000000       27.13642 
1 1 1 -18 35 1  o 156.4326 15.68477 760.3588       141.9592 390.9597       402.1298 812.9478       151.7280 102.9096 42.05105 161.4748 16.24217 -58.56522      45.07881 
1 1 1 -18 35 2  o 118.5249 31.48821 514.2524       222.5719 266.8499       413.8189 614.9517       264.0107 95.56220 41.05140 127.3734 34.49759 -31.81121      53.62183 
1 1 1 -18 35 3  o 73.63833 24.95321 176.2244       128.3302 892.8201       419.8283 102.3677       134.7813 141.7996 44.97794 63.72233 24.90259 78.07730       51.41161 
1 1 1 -18 35 4  o 91.00513 25.55291 285.7778       141.9503 962.7743       463.1734 215.5987       149.1263 143.6788 47.38325 80.08404 26.89913 63.59481       54.48610 
1 1 1 -18 35 5  o 75.95869 25.19984 191.3282       130.9468 -126.1557      430.4525 223.7050       137.4617 78.26330 36.77456 81.11540 25.73771 -2.852104      44.88650 
1 1 1 -18 35 6  o 65.82703 24.33515 126.9302       124.3514 180.5144       412.0923 121.5622       130.4314 90.04273 39.77196 65.61697 24.78728 24.42576       46.86382 
1 1 1 -18 35 7  o 83.92906 23.28241 239.2885       118.6147 38.66259       401.1012 258.5150       124.1683 82.36425 37.55278 87.03204 23.69471 -4.667793      44.40327 
1 1 1 -18 35 8  o 67.54626 23.95250 142.3369       118.8555 357.2095       404.6078 122.0441       124.3413 99.00336 41.46972 64.96309 24.27312 34.04028       48.05124 
1 1 1 -18 35 9  o 135.0805 16.41018 575.1811       127.3403 484.0037       416.0977 584.6030       133.7579 106.7008 43.07761 135.7522 17.18497 -29.05138      46.37891 
1 1 1 -18 35 10 o 114.6143 18.56872 424.8440       120.5494 579.6345       431.6347 411.7488       125.5451 112.2486 44.35253 112.0986 19.82121 0.1499863      48.58011 
1 1 1 -18 35 11 o 60.78838 23.53645 98.08155       119.5261 0.000000       0.000000 98.08155       119.5261 ?        ?        60.78838 23.53645 0.000000       23.53645 
1 1 1 -18 35 12 o 129.5754 15.84487 530.0156       117.9076 323.5886       458.4428 544.6375       122.0120 95.75117 42.13481 131.1627 16.20574 -35.41154      45.14386 
1 1 1 -18 35 13 o 78.96431 24.18841 216.2909       122.5593 0.000000       0.000000 216.2909       122.5593 ?        ?        78.96431 24.18841 0.000000       24.18841 
1 1 1 -18 35 14 o 123.0317 17.73906 488.2791       124.3033 0.000000       0.000000 488.2791       124.3033 ?        ?        123.0317 17.73906 0.000000       17.73906 
1 1 1 -18 35 15 o 126.6688 17.27349 515.8857       124.9819 0.000000       0.000000 515.8857       124.9819 ?        ?        126.6688 17.27349 0.000000       17.27349 
1 1 1 -18 35 16 o 68.84366 24.45520 156.2982       123.9446 0.000000       0.000000 156.2982       123.9446 ?        ?        68.84366 24.45520 0.000000       24.45520 
1 1 1 -18 35 17 o 174.5953 13.67930 947.5928       138.9530 0.000000       0.000000 947.5928       138.9530 ?        ?        174.5953 13.67930 0.000000       13.67930 
1 1 1 -18 35 18 o 47.55425 21.46275 -27.53892      127.0319 0.000000       0.000000 -27.53892      127.0319 ?        ?        47.55425 21.46275 0.000000       21.46275 
1 1 1 -18 35 19 o 48.69323 22.11117 -33.72366      137.3018 0.000000       0.000000 -33.72366      137.3018 ?        ?        48.69323 22.11117 0.000000       22.11117 
1 1 1 -18 35 20 o 57.29910 23.92160 66.43675       133.9659 0.000000       0.000000 66.43675       133.9659 ?        ?        57.29910 23.92160 0.000000       23.92160 
1 1 1 -18 35 21 o 55.84389 23.75302 52.14145       136.0911 0.000000       0.000000 52.14145       136.0911 ?        ?        55.84389 23.75302 0.000000       23.75302 
1 1 1 -18 35 22 o 97.55671 25.45005 353.6196       147.1141 0.000000       0.000000 353.6196       147.1141 ?        ?        97.55671 25.45005 0.000000       25.45005 
1 1 1 -18 35 23 o 48.17295 21.88313 -28.33695      134.6398 0.000000       0.000000 -28.33695      134.6398 ?        ?        48.17295 21.88313 0.000000       21.88313 
1 1 1 -18 35 24 o 82.44553 26.86637 262.2248       149.0966 0.000000       0.000000 262.2248       149.0966 ?        ?        82.44553 26.86637 0.000000       26.86637 
1 1 1 -18 35 25 o 71.03969 26.72454 181.9478       151.2636 0.000000       0.000000 181.9478       151.2636 ?        ?        71.03969 26.72454 0.000000       26.72454 
1 1 1 -18 35 26 o 75.85600 26.77126 219.3480       148.3304 0.000000       0.000000 219.3480       148.3304 ?        ?        75.85600 26.77126 0.000000       26.77126 
1 1 1 -18 35 27 o 41.92025 20.32245 -181.0809      155.1330 0.000000       0.000000 -181.0809      155.1330 ?        ?        41.92025 20.32245 0.000000       20.32245 
1 1 1 -18 36 1  o 42.73842 20.30379 -136.9544      138.0868 -597.3072      390.8960 -71.31554      147.6033 60.33928 29.85193 48.73775 22.42889 11.60153       37.33889 
1 1 1 -18 36 2  o 160.6212 16.02847 808.9505       148.9752 489.7770       401.9195 859.7853       160.4007 106.7930 42.60354 165.1172 16.79753 -58.32419      45.79539 
1 1 1 -18 36 3  f 246.0460 11.51105 1835.065       165.6441 2047.441       436.1118 1799.262       179.0631 235.6875 32.40794 242.8360 12.61637 -7.148453      34.77710 
1 1 1 -18 36 4  o 192.0058 13.78478 1135.672       154.1932 2291.042       441.8733 975.4777       164.5359 251.9194 30.53015 176.3596 16.08467 75.55977       34.50806 
1 1 1 -18 36 5  o 58.33577 24.93662 40.34999       151.3164 0.000000       0.000000 40.34999       151.3164 ?        ?        58.33577 24.93662 0.000000       24.93662 
1 1 1 -18 36 6  o 186.0523 13.91943 1068.938       150.7814 0.000000       0.000000 1068.938       150.7814 ?        ?        186.0523 13.91943 0.000000       13.91943 
1 1 1 -18 36 7  o 158.8761 14.58379 785.2988       134.3728 1321.366       404.0146 718.6243       142.4845 178.3622 39.64992 150.8233 16.37050 27.53889       42.89650 
1 1 1 -18 36 8  o 144.9748 15.48998 660.1063       129.6642 1937.640       418.0121 524.0961       136.3918 228.0888 32.13875 127.0152 18.88336 101.0736       37.27573 
1 1 1 -18 36 9  o 65.80812 24.24111 132.8935       123.2027 156.2174       412.6989 130.6115       129.0891 85.92700 38.74217 65.91940 24.71135 20.00760       45.95222 
1 1 1 -18 36 10 o 81.69479 24.71133 233.8552       128.4570 129.9971       425.0709 244.2934       134.7577 85.02179 38.72353 83.19706 25.34006 1.824730       46.27775 
1 1 1 -18 36 11 o 98.14555 22.40576 330.3577       126.1209 -9.461988      432.0634 362.0100       131.8639 79.45435 37.17669 102.8028 22.49738 -23.34846      43.45387 
1 1 1 -18 36 12 o 61.07638 24.28023 95.27837       130.0951 0.000000       0.000000 95.27837       130.0951 ?        ?        61.07638 24.28023 0.000000       24.28023 
1 1 1 -18 36 13 o 65.19099 23.71836 134.2776       117.3882 277.3895       459.7000 124.2946       121.4135 91.24767 41.03674 64.00488 23.97126 27.24279       47.52510 
1 1 1 -18 36 14 o 101.3502 21.13538 349.1074       121.5538 0.000000       0.000000 349.1074       121.5538 ?        ?        101.3502 21.13538 0.000000       21.13538 
1 1 1 -18 36 15 o 74.79042 24.33264 196.3397       122.3261 0.000000       0.000000 196.3397       122.3261 ?        ?        74.79042 24.33264 0.000000       24.33264 
1 1 1 -18 36 16 o 65.47501 25.18495 130.9918       136.2064 0.000000       0.000000 130.9918       136.2064 ?        ?        65.47501 25.18495 0.000000       25.18495 
1 1 1 -18 36 17 o 43.97447 20.61415 -90.83061      133.8906 0.000000       0.000000 -90.83061      133.8906 ?        ?        43.97447 20.61415 0.000000       20.61415 
1 1 1 -18 36 18 o 94.90232 24.97681 329.6555       140.8802 0.000000       0.000000 329.6555       140.8802 ?        ?        94.90232 24.97681 0.000000       24.97681 
1 1 1 -18 36 19 o 55.40475 24.10739 33.86644       146.3910 0.000000       0.000000 33.86644       146.3910 ?        ?        55.40475 24.10739 0.000000       24.10739 
1 1 1 -18 36 20 f 102.5130 25.93395 392.3018       156.0093 0.000000       0.000000 392.3018       156.0093 ?        ?        102.5130 25.93395 0.000000       25.93395 
1 1 1 -18 36 21 o 47.93011 22.17633 -59.47394      147.1210 0.000000       0.000000 -59.47394      147.1210 ?        ?        47.93011 22.17633 0.000000       22.17633 
1 1 1 -18 36 22 o 61.07476 25.51441 91.51115       152.5465 0.000000       0.000000 91.51115       152.5465 ?        ?        61.07476 25.51441 0.000000       25.51441 
1 1 1 -18 36 23 o 56.61310 24.62524 46.42422       152.6449 0.000000       0.000000 46.42422       152.6449 ?        ?        56.61310 24.62524 0.000000       24.62524 
1 1 1 -18 36 24 o 56.54866 24.91918 36.01075       160.8796 0.000000       0.000000 36.01075       160.8796 ?        ?        56.54866 24.91918 0.000000       24.91918 
1 1 1 -18 36 25 o 64.13540 26.84757 114.6932       169.4208 0.000000       0.000000 114.6932       169.4208 ?        ?        64.13540 26.84757 0.000000       26.84757 
1 1 1 -18 37 1  o 69.53021 28.10899 127.5405       177.4343 -266.3159      383.7823 234.6142       200.1047 67.82250 32.65307 82.21637 30.77779 -14.39387      44.87199 
1 1 1 -18 37 2  o 71.22138 26.50735 160.7270       147.9992 453.9491       410.5639 116.9338       158.6667 102.2619 42.21299 66.75461 26.72198 35.50729       49.96000 
1 1 1 -18 37 3  o 96.05469 25.36038 327.0173       144.9445 219.8363       423.2799 341.2548       154.2714 89.29683 39.82526 97.54179 26.35045 -8.244957      47.75351 
1 1 1 -18 37 4  o 144.2867 18.57880 673.5269       153.5703 273.6849       415.8896 736.6531       165.2489 91.59631 40.22498 150.5483 19.14867 -58.95197      44.55020 
1 1 1 -18 37 5  o 74.61666 26.22287 188.6151       142.2052 136.6850       418.3267 195.4001       151.2101 84.88529 38.56510 75.80940 27.00293 9.075890       47.07892 
1 1 1 -18 37 6  o 125.0714 20.67519 520.1757       146.3614 0.000000       0.000000 520.1757       146.3614 ?        ?        125.0714 20.67519 0.000000       20.67519 
1 1 1 -18 37 7  o 62.17147 24.59618 101.3522       132.8951 24.08679       406.3705 110.6052       140.6276 79.04960 36.67249 64.05315 25.31388 14.99645       44.56079 
1 1 1 -18 37 8  o 61.52933 24.22143 100.5991       128.3008 923.0631       410.5260 11.57038       135.0664 136.4354 44.58848 52.70546 23.04043 83.72993       50.18958 
1 1 1 -18 37 9  o 135.9573 18.35303 600.8669       142.6053 1136.133       416.6331 529.8357       151.7726 154.5889 43.90615 125.4348 21.39834 29.15413       48.84301 
1 1 1 -18 37 10 o 123.4872 18.88080 500.4729       132.4023 430.1061       415.1846 508.4392       139.6960 98.26237 41.62927 123.7662 19.92165 -25.50378      46.15049 
1 1 1 -18 37 11 o 61.75687 24.56864 101.0372       133.2980 -126.1702      414.4956 127.2456       140.7762 72.93011 34.79578 65.64104 25.50783 7.289070       43.14390 
1 1 1 -18 37 12 o 55.50201 23.45552 49.24113       131.2660 -81.38753      442.4630 61.84782       137.4542 75.67822 36.06332 57.63973 24.15911 18.03848       43.40767 
1 1 1 -18 37 13 o 90.66125 24.42828 295.8525       132.7925 -46.77605      485.3700 323.5738       138.0600 78.45768 37.49346 94.75169 24.62283 -16.29401      44.85580 
1 1 1 -18 37 14 o 131.4002 18.00857 565.2390       135.1325 -448.8661      483.2084 651.2791       140.7484 67.86735 33.50500 141.7084 17.29325 -73.84109      37.70467 
1 1 1 -18 37 15 o 54.26002 23.19370 41.25462       130.8964 -275.7118      474.1184 67.40797       136.1896 70.84933 34.61003 57.67284 24.10154 13.17649       42.17509 
1 1 1 -18 37 16 o 61.13754 25.27728 90.09087       147.5308 0.000000       0.000000 90.09087       147.5308 ?        ?        61.13754 25.27728 0.000000       25.27728 
1 1 1 -18 37 17 o 81.20953 28.49622 251.7587       167.8867 0.000000       0.000000 251.7587       167.8867 ?        ?        81.20953 28.49622 0.000000       28.49622 
1 1 1 -18 37 18 o 88.06462 26.99962 296.5507       152.6605 0.000000       0.000000 296.5507       152.6605 ?        ?        88.06462 26.99962 0.000000       26.99962 
1 1 1 -18 37 19 o 44.16590 21.03091 -127.9285      149.9005 0.000000       0.000000 -127.9285      149.9005 ?        ?        44.16590 21.03091 0.000000       21.03091 
1 1 1 -18 37 20 o 47.24459 22.10507 -80.97947      152.7337 0.000000       0.000000 -80.97947      152.7337 ?        ?        47.24459 22.10507 0.000000       22.10507 
1 1 1 -18 37 21 o 67.72065 27.44730 146.2273       169.6687 0.000000       0.000000 146.2273       169.6687 ?        ?        67.72065 27.44730 0.000000       27.44730 
1 1 1 -18 37 22 o 63.18838 26.61236 102.9667       168.0431 0.000000       0.000000 102.9667       168.0431 ?        ?        63.18838 26.61236 0.000000       26.61236 
1 1 1 -18 37 23 o 62.27803 26.81249 86.77392       177.2775 0.000000       0.000000 86.77392       177.2775 ?        ?        62.27803 26.81249 0.000000       26.81249 
1 1 1 -18 38 1  o 75.26289 30.37569 173.5189       206.8194 151.5432       384.9482 182.4363       245.2172 82.95874 37.40923 78.07615 32.46161 4.882591       49.52985 
1 1 1 -18 38 2  o 68.11000 26.54257 138.2949       152.7705 -2.007202      380.2567 165.2995       166.8262 75.82230 35.27719 72.15881 27.84181 3.663498       44.94048 
1 1 1 -18 38 3  o 59.64337 25.04439 65.89848       148.1267 172.4576       417.0654 50.51667       158.4575 85.02146 38.57957 59.41137 25.46005 25.61010       46.22335 
1 1 1 -18 38 4  o 135.2846 20.27794 608.8005       155.9365 982.1036       424.0641 550.4308       167.6850 138.3545 45.32388 126.0156 23.55503 12.33888       51.07929 
1 1 1 -18 38 5  o 45.40400 21.20545 -88.98296      139.5100 -390.5298      416.6661 -50.90893      148.0557 65.61407 32.13555 49.50872 22.66472 16.10535       39.32408 
1 1 1 -18 38 6  o 122.2007 20.38699 499.9696       140.9647 495.9224       420.8824 500.4810       149.6052 101.3605 42.36486 121.1824 21.85408 -19.82185      47.66951 
1 1 1 -18 38 7  o 73.49186 25.22304 187.8927       131.1922 315.4441       400.5538 172.5656       138.8509 90.67531 39.65757 71.42947 25.82294 19.24584       47.32385 
1 1 1 -18 38 8  o 136.6869 18.37867 611.4122       143.6002 491.6758       419.8319 627.2765       152.8174 100.3228 42.14671 137.6277 19.47643 -37.30486      46.42926 
1 1 1 -18 38 9  o 56.15334 23.88632 48.40050       137.6396 318.2252       401.3756 12.44231       146.5241 90.11706 39.54792 54.02013 23.79409 36.09693       46.15405 
1 1 1 -18 38 10 o 46.50740 21.27603 -46.34720      130.1699 -162.9691      424.0232 -34.21305      136.7742 71.50091 34.39807 48.59562 22.06756 22.90528       40.86813 
1 1 1 -18 38 11 o 64.51054 25.28076 123.3530       139.2272 593.9793       434.6917 69.55476       146.9695 104.5828 43.32814 59.23329 24.91379 45.34947       49.98024 
1 1 1 -18 38 12 o 52.71563 23.23722 11.66137       139.9956 -268.2348      429.0885 45.00489       148.0997 68.21689 33.23627 56.84287 24.49000 11.37402       41.28450 
1 1 1 -18 38 13 o 104.0026 24.24523 390.2668       145.1441 765.5749       445.9725 345.8042       153.5011 113.5409 45.01345 95.98489 26.43170 17.55601       52.20005 
1 1 1 -18 38 14 o 50.01293 22.50432 -15.73163      138.4572 -251.2512      432.3239 11.18607       146.1553 68.41691 33.33987 53.39309 23.62995 15.02382       40.86467 
1 1 1 -18 38 15 o 56.59283 24.31129 49.27395       145.1374 0.000000       0.000000 49.27395       145.1374 ?        ?        56.59283 24.31129 0.000000       24.31129 
1 1 1 -18 38 16 o 101.3040 24.53847 375.9253       144.2300 919.7070       445.8881 312.3802       152.4245 122.1672 45.89940 90.33522 26.82493 31.83197       53.16326 
1 1 1 -18 38 17 o 108.2452 25.79918 438.5871       161.4520 0.000000       0.000000 438.5871       161.4520 ?        ?        108.2452 25.79918 0.000000       25.79918 
1 1 1 -18 38 18 o 77.32240 28.88044 229.5802       175.9913 0.000000       0.000000 229.5802       175.9913 ?        ?        77.32240 28.88044 0.000000       28.88044 
1 1 1 -18 38 19 o 59.04969 25.38887 66.27921       158.5501 0.000000       0.000000 66.27921       158.5501 ?        ?        59.04969 25.38887 0.000000       25.38887 
1 1 1 -18 38 20 o 69.29263 27.22347 165.1007       161.7954 0.000000       0.000000 165.1007       161.7954 ?        ?        69.29263 27.22347 0.000000       27.22347 
1 1 1 -18 38 21 o 59.47086 26.19203 52.52744       177.4991 0.000000       0.000000 52.52744       177.4991 ?        ?        59.47086 26.19203 0.000000       26.19203 
1 1 1 -18 39 1  o 99.57565 32.39573 404.0509       216.8290 99.67180       382.6644 547.9930       263.1507 78.96657 36.25689 112.5659 35.59766 -33.59936      50.81098 
1 1 1 -18 39 2  o 62.85627 26.00514 93.44542       156.2912 -149.6876      390.4339 139.8396       170.5521 69.88991 33.46068 68.86725 27.65772 1.022659       43.41159 
1 1 1 -18 39 3  o 50.28735 23.20017 -61.75434      159.3412 -88.13181      395.1739 -56.63314      174.1236 72.17615 34.30563 52.82163 24.32725 19.35452       42.05581 
1 1 1 -18 39 4  o 120.7471 24.54780 519.1327       167.9059 164.6411       416.2336 588.0290       183.4983 82.78895 37.93827 127.9812 25.34443 -45.19221      45.62513 
1 1 1 -18 39 5  o 131.7834 20.70778 586.8725       154.7735 120.7652       387.2645 675.4744       168.8443 79.57357 36.51288 141.2424 21.02292 -61.66886      42.13258 
1 1 1 -18 39 6  o 110.7524 24.91754 442.7184       157.9214 382.7572       386.5518 454.7311       173.0188 92.68671 39.74356 110.4823 26.94708 -17.79562      48.01766 
1 1 1 -18 39 7  f 55.44407 24.62005 10.59159       159.9788 0.000000       0.000000 10.59159       159.9788 ?        ?        55.44407 24.62005 0.000000       24.62005 
1 1 1 -18 39 8  o 37.43411 18.48357 -269.2913      147.2632 -166.9571      397.7418 -285.5482      158.5294 69.03033 33.23636 38.81433 19.16740 30.21600       38.36724 
1 1 1 -18 39 9  o 74.48406 26.52009 199.1219       145.8368 127.6928       419.0430 208.9657       155.5616 80.31235 37.25195 75.89388 27.34650 4.418472       46.21189 
1 1 1 -18 39 10 o 63.68683 25.34673 117.4263       141.9309 -479.1647      429.0175 190.7460       150.3997 62.87919 31.13809 73.31119 26.82010 -10.43200      41.09621 
1 1 1 -18 39 11 o 77.26933 26.10292 219.7124       140.4235 485.8202       419.9903 186.2202       148.9985 96.78292 41.46198 72.57310 26.67109 24.20982       49.29952 
1 1 1 -18 39 12 o 55.07664 23.90180 36.03498       143.1229 -17.96536      385.6175 44.66219       154.1323 72.54405 34.30618 57.23009 24.82039 15.31396       42.34343 
1 1 1 -18 39 13 o 80.70090 26.04323 244.6945       140.2973 -198.0137      347.4752 330.9239       153.3531 63.57316 30.72188 93.05996 26.70506 -29.48680      40.70619 
1 1 1 -18 39 14 o 54.94735 23.58484 46.52827       136.3807 -195.3525      323.7375 98.71597       150.3753 61.53540 29.71671 61.76134 25.52602 -0.2259407     39.17475 
1 1 1 -18 39 15 o 109.2735 23.52491 431.5359       146.2973 -99.84818      308.7311 585.4103       166.1343 63.51929 30.22832 128.3793 22.90585 -64.85999      37.92662 
1 1 1 -18 39 16 o 44.14620 20.83737 -99.16206      141.0220 -193.3139      335.1407 -78.90487      155.4542 62.13593 30.06231 47.73811 22.32462 14.39782       37.44505 
1 1 1 -18 39 17 o 74.15045 29.64733 200.1421       195.0713 -141.8783      372.9724 328.9309       228.8705 66.25066 31.96973 87.04223 32.84490 -20.79157      45.83505 
1 1 1 -18 39 18 o 69.04286 28.11030 156.4956       178.9103 -257.6987      422.4614 247.0150       197.4949 65.82243 32.26262 78.82667 30.32488 -13.00424      44.27725 
1 1 1 -18 39 19 o 56.97915 25.39999 28.74240       171.9666 0.000000       0.000000 28.74240       171.9666 ?        ?        56.97915 25.39999 0.000000       25.39999 
1 1 1 -18 40 1  o 58.90080 25.50692 49.14152       162.2854 307.0271       385.2986 -6.475130      178.9313 87.91011 38.65799 56.54223 25.50018 31.36788       46.31090 
1 1 1 -18 40 2  o 95.05384 27.69973 345.5591       163.8233 267.2271       396.2567 361.7080       179.9194 85.95212 38.41957 95.94772 29.29106 -9.995605      48.31180 
1 1 1 -18 40 3  o 53.53174 24.25284 -20.45597      164.0441 -414.1360      400.7728 58.77702       179.7958 62.43204 30.76306 61.55418 26.75059 0.8778610      40.76714 
1 1 1 -18 40 4  o 56.00318 24.93086 11.10957       165.0908 64.45836       394.9324 -0.1867096     181.7307 76.72163 35.78117 57.23246 25.76508 19.48917       44.09230 
1 1 1 -18 40 5  o 101.2792 27.05236 388.3268       163.7261 245.0501       420.5559 413.9211       177.7492 85.02459 38.64381 103.3814 28.43275 -18.35678      47.97672 
1 1 1 -18 40 6  o 65.49078 26.50364 123.3958       157.9317 -125.1918      410.0693 166.6902       171.1328 70.61723 33.93542 70.99533 27.96586 -0.3781052     43.97388 
1 1 1 -18 40 7  o 104.3415 26.00517 406.0354       158.5619 1170.505       427.0571 283.7975       170.7690 147.0205 45.17373 85.27219 28.78552 61.74828       53.56559 
1 1 1 -18 40 8  o 68.22691 26.55524 152.3695       152.7664 1058.408       420.5710 14.65680       163.9657 137.4644 45.14264 55.85086 24.85547 81.61351       51.53302 
1 1 1 -18 40 9  o 52.03759 23.50389 -14.11904      152.6768 325.4218       370.7118 -83.47564      167.5461 87.03109 38.10555 49.54943 23.17329 37.48166       44.59859 
1 1 1 -18 40 10 o 63.38258 25.61928 115.5657       147.3660 341.2442       340.2589 63.46033       163.4955 87.52748 37.40390 59.65738 25.71726 27.87010       45.39195 
1 1 1 -18 40 11 o 71.16347 26.32609 180.8531       145.5753 309.3110       312.5953 145.2784       164.5025 85.10042 36.09043 67.64365 27.16400 17.45676       45.17080 
1 1 1 -18 40 12 o 80.25471 25.96465 244.0126       139.3969 -220.0211      277.4446 400.7079       161.2239 56.35576 27.28659 102.3377 26.61550 -45.98193      38.11749 
1 1 1 -18 40 13 o 93.03542 24.01737 319.1204       131.9394 411.2826       248.1858 282.8129       155.7752 94.86345 34.49136 84.99882 27.44327 9.864632       44.07706 
1 1 1 -18 40 14 o 56.35153 23.68659 66.65903       132.7142 54.13969       228.7731 73.00919       162.9322 64.49975 28.98319 60.13409 25.79430 4.365662       38.79911 
1 1 1 -18 40 15 o 37.01640 18.14088 -208.2255      133.4238 -71.19739      225.1688 -282.3722      165.6340 56.90897 26.69516 39.67630 19.59290 17.23267       33.11364 
1 1 1 -18 40 16 o 47.18574 22.17749 -87.29888      156.7276 -222.0944      284.3516 -28.47986      187.8351 56.38533 27.37672 54.93045 25.28704 1.454876       37.26821 
1 1 1 -18 41 1  o 106.7173 27.47791 437.2754       173.0045 -112.4165      377.9024 583.0288       194.5939 68.47806 32.82059 123.9449 27.49036 -55.46682      42.81251 
1 1 1 -18 41 2  o 75.51112 28.49321 209.8492       172.2393 30.89498       389.9722 253.2186       191.9791 74.11501 34.88068 80.60010 30.15180 -6.485085      46.10632 
1 1 1 -18 41 3  o 59.64437 25.95818 54.77987       169.8150 -290.8842      383.5298 139.0699       189.3913 63.44687 31.02272 68.71356 28.54514 -5.266697      42.15726 
1 1 1 -18 41 4  o 114.7150 26.32416 493.6671       173.3407 -364.5387      413.0897 677.0755       190.9669 63.58987 31.31398 136.7222 24.72590 -73.13236      39.89907 
1 1 1 -18 41 5  f 50.16196 23.20605 -56.89387      161.0262 27.12773       402.2683 -72.92616      175.7187 74.29125 35.10440 51.25827 23.89286 23.03298       42.46395 
1 1 1 -18 41 6  o 101.8624 30.70510 428.7155       198.5742 784.2007       432.9901 334.0345       223.4593 112.6168 44.44576 88.51154 32.63943 24.10527       55.14307 
1 1 1 -18 41 7  o 162.4379 17.66060 868.7053       165.5405 790.8263       384.6926 886.4037       183.3884 117.7355 42.92152 162.0136 19.70534 -44.27807      47.22878 
1 1 1 -18 41 8  o 44.01479 21.03284 -137.4103      152.7028 -14.99898      338.2161 -168.7526      171.1390 68.95808 32.46298 45.39362 21.84204 23.56446       39.12697 
1 1 1 -18 41 9  o 98.13165 26.55933 369.4424       156.5519 325.4670       323.8544 382.8520       178.8350 85.92943 36.59905 97.46558 29.08400 -11.53615      46.74794 
1 1 1 -18 41 10 o 106.2800 25.28568 421.8516       155.3076 123.4353       321.0038 513.0536       177.4603 74.02270 33.68954 116.2490 26.60581 -42.22626      42.92848 
1 1 1 -18 41 11 o 62.32878 25.53747 108.4968       148.8071 -92.33987      275.3808 191.3270       176.8506 60.81509 28.82779 72.77238 28.50021 -11.95729      40.53768 
1 1 1 -18 41 12 o 95.66634 25.86286 350.5054       148.5492 175.5390       258.9532 436.3238       181.3570 73.91264 32.11268 104.0815 28.75690 -30.16889      43.10666 
1 1 1 -18 42 1  o 59.09460 26.07685 41.91727       176.7455 157.1916       395.9884 13.23911       197.5112 78.65414 36.38852 59.20053 26.73670 19.45361       45.15502 
1 1 1 -18 42 2  o 75.26723 29.71501 208.4379       193.5966 -177.9452      413.9291 316.6237       219.0292 68.02346 33.02812 86.49512 32.23616 -18.47166      46.15222 
1 1 1 -18 42 3  o 85.82890 30.26200 302.0267       189.4995 133.5097       434.1371 341.6916       210.6239 78.69668 36.96352 89.53671 31.87188 -10.84003      48.80696 
1 1 1 -18 42 4  o 57.46673 25.67199 22.46038       176.6526 20.51067       403.4142 22.92293       196.4931 73.41579 34.82729 59.59959 26.81432 13.81620       43.95393 
1 1 1 -18 42 5  o 64.31003 26.79211 113.7623       167.5280 389.1500       417.0834 60.78566       182.9334 88.74349 39.55856 60.96887 26.72927 27.77462       47.74237 
1 1 1 -18 42 6  o 52.57130 23.93267 -18.74875      162.1270 -386.4410      419.7296 45.73179       175.7688 62.71432 31.00992 58.99455 26.01987 3.719769       40.48022 
1 1 1 -18 42 7  o 74.50518 27.77122 209.7939       162.5671 48.98455       382.1660 245.3212       179.6296 72.92024 34.38342 78.71439 29.22065 -5.794144      45.12278 
1 1 1 -17 0  1  o 763.6550 19.56180 17174.67       874.8065 17174.67       874.8065 17174.67       874.8065 763.6550 19.56180 763.6550 19.56180 -0.000000      0.000000 
1 1 1 -17 0  2  o 447.2966 16.05512 5898.919       419.9396 5898.919       419.9396 5898.919       419.9396 447.2966 16.05512 447.2966 16.05512 0.000000       0.000000 
1 1 1 -17 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  5  o 1050.772 24.79636 32559.71       1526.161 32559.71       1526.161 32559.71       1526.161 1050.772 24.79636 1050.772 24.79636 0.000000       0.000000 
1 1 1 -17 0  6  o 66.11816 38.27531 159.7935       241.2935 159.7935       241.2935 159.7935       241.2935 66.11816 38.27531 66.11816 38.27531 -0.000000      0.000000 
1 1 1 -17 0  7  o 420.2278 14.59851 5204.547       358.8000 5204.547       358.8000 5204.547       358.8000 420.2278 14.59851 420.2278 14.59851 -0.000000      0.000000 
1 1 1 -17 0  8  o 560.7597 15.23493 9256.560       500.1988 9256.560       500.1988 9256.560       500.1988 560.7597 15.23493 560.7597 15.23493 -0.000000      0.000000 
1 1 1 -17 0  9  o 404.3831 13.86866 4819.038       328.0326 4819.038       328.0326 4819.038       328.0326 404.3831 13.86866 404.3831 13.86866 0.000000       0.000000 
1 1 1 -17 0  10 o 40.95949 27.31330 -57.27790      178.3511 -57.27790      178.3511 -57.27790      178.3511 40.95949 27.31330 40.95949 27.31330 0.000000       0.000000 
1 1 1 -17 0  11 f 72.30907 34.96292 227.6137       172.6505 227.6137       172.6505 227.6137       172.6505 72.30907 34.96292 72.30907 34.96292 -0.000000      0.000000 
1 1 1 -17 0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  13 o 569.6851 15.10984 9559.000       504.0276 9559.000       504.0276 9559.000       504.0276 569.6851 15.10984 569.6851 15.10984 -0.000000      0.000000 
1 1 1 -17 0  14 o 197.2271 16.23722 1166.915       184.7852 1166.915       184.7852 1166.915       184.7852 197.2271 16.23722 197.2271 16.23722 0.000000       0.000000 
1 1 1 -17 0  15 o 386.6917 12.59787 4407.153       285.0139 4407.153       285.0139 4407.153       285.0139 386.6917 12.59787 386.6917 12.59787 0.000000       0.000000 
1 1 1 -17 0  16 o 364.9398 12.06015 3925.729       257.4824 3925.729       257.4824 3925.729       257.4824 364.9398 12.06015 364.9398 12.06015 0.000000       0.000000 
1 1 1 -17 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  18 o 171.2248 14.53350 881.0213       143.4319 881.0213       143.4319 881.0213       143.4319 171.2248 14.53350 171.2248 14.53350 0.000000       0.000000 
1 1 1 -17 0  19 f 237.9521 12.07416 1677.438       167.5037 1677.438       167.5037 1677.438       167.5037 237.9521 12.07416 237.9521 12.07416 -0.000000      0.000000 
1 1 1 -17 0  20 o 233.4500 12.19180 1615.723       165.8760 1615.723       165.8760 1615.723       165.8760 233.4500 12.19180 233.4500 12.19180 -0.000000      0.000000 
1 1 1 -17 0  21 o 143.4557 16.37269 629.8646       133.1130 629.8646       133.1130 629.8646       133.1130 143.4557 16.37269 143.4557 16.37269 0.000000       0.000000 
1 1 1 -17 0  22 o 64.39416 28.61667 177.8606       114.2345 177.8606       114.2345 177.8606       114.2345 64.39416 28.61667 64.39416 28.61667 0.000000       0.000000 
1 1 1 -17 0  23 o 43.63298 25.84658 63.87091       114.3567 63.87091       114.3567 63.87091       114.3567 43.63298 25.84658 43.63298 25.84658 0.000000       0.000000 
1 1 1 -17 0  24 o 381.0404 11.99974 4285.884       267.5570 4285.884       267.5570 4285.884       267.5570 381.0404 11.99974 381.0404 11.99974 0.000000       0.000000 
1 1 1 -17 0  25 o 246.9892 12.56763 1810.019       180.9650 1810.019       180.9650 1810.019       180.9650 246.9892 12.56763 246.9892 12.56763 0.000000       0.000000 
1 1 1 -17 0  26 f 53.94770 28.62787 125.9490       121.9739 125.9490       121.9739 125.9490       121.9739 53.94770 28.62787 53.94770 28.62787 0.000000       0.000000 
1 1 1 -17 0  27 o 257.7238 12.95693 1970.846       194.7077 1970.846       194.7077 1970.846       194.7077 257.7238 12.95693 257.7238 12.95693 -0.000000      0.000000 
1 1 1 -17 0  28 o 404.7607 12.72592 4838.880       301.4145 4838.880       301.4145 4838.880       301.4145 404.7607 12.72592 404.7607 12.72592 -0.000000      0.000000 
1 1 1 -17 0  29 o 376.4667 12.45661 4187.607       274.3450 4187.607       274.3450 4187.607       274.3450 376.4667 12.45661 376.4667 12.45661 0.000000       0.000000 
1 1 1 -17 0  30 o 234.8118 12.99014 1639.938       177.6288 1639.938       177.6288 1639.938       177.6288 234.8118 12.99014 234.8118 12.99014 -0.000000      0.000000 
1 1 1 -17 0  31 o 360.0196 12.30708 3833.707       259.1664 3833.707       259.1664 3833.707       259.1664 360.0196 12.30708 360.0196 12.30708 0.000000       0.000000 
1 1 1 -17 0  32 o 102.3948 28.05748 375.9556       145.6594 375.9556       145.6594 375.9556       145.6594 102.3948 28.05748 102.3948 28.05748 -0.000000      0.000000 
1 1 1 -17 0  33 o 46.47426 27.69202 73.25520       132.7010 73.25520       132.7010 73.25520       132.7010 46.47426 27.69202 46.47426 27.69202 -0.000000      0.000000 
1 1 1 -17 0  34 o 120.5570 22.37841 475.6626       142.2066 475.6626       142.2066 475.6626       142.2066 120.5570 22.37841 120.5570 22.37841 -0.000000      0.000000 
1 1 1 -17 0  35 o 66.18261 31.70391 197.5484       141.5649 197.5484       141.5649 197.5484       141.5649 66.18261 31.70391 66.18261 31.70391 -0.000000      0.000000 
1 1 1 -17 0  36 o 27.52693 19.51008 -163.6246      131.4025 -163.6246      131.4025 -163.6246      131.4025 27.52693 19.51008 27.52693 19.51008 -0.000000      0.000000 
1 1 1 -17 0  37 o 31.91763 21.72253 -62.34609      124.2790 -62.34609      124.2790 -62.34609      124.2790 31.91763 21.72253 31.91763 21.72253 0.000000       0.000000 
1 1 1 -17 0  38 o 23.55243 17.01061 -218.3569      121.0075 -218.3569      121.0075 -218.3569      121.0075 23.55243 17.01061 23.55243 17.01061 -0.000000      0.000000 
1 1 1 -17 0  39 o 53.13354 28.28820 130.8226       119.4259 130.8226       119.4259 130.8226       119.4259 53.13354 28.28820 53.13354 28.28820 0.000000       0.000000 
1 1 1 -17 0  40 o 312.8815 10.28636 2913.093       188.2896 2913.093       188.2896 2913.093       188.2896 312.8815 10.28636 312.8815 10.28636 -0.000000      0.000000 
1 1 1 -17 0  41 o 156.9781 16.66639 769.9582       149.0912 769.9582       149.0912 769.9582       149.0912 156.9781 16.66639 156.9781 16.66639 0.000000       0.000000 
1 1 1 -17 0  42 o 113.4106 24.65101 450.5843       143.6977 450.5843       143.6977 450.5843       143.6977 113.4106 24.65101 113.4106 24.65101 -0.000000      0.000000 
1 1 1 -17 0  43 o 125.1713 20.56315 519.3843       138.7248 519.3843       138.7248 519.3843       138.7248 125.1713 20.56315 125.1713 20.56315 0.000000       0.000000 
1 1 1 -17 0  44 o 55.99129 30.65560 156.6094       144.0419 156.6094       144.0419 156.6094       144.0419 55.99129 30.65560 55.99129 30.65560 0.000000       0.000000 
1 1 1 -17 0  45 o 46.01084 28.88175 69.92472       162.3338 69.92472       162.3338 69.92472       162.3338 46.01084 28.88175 46.01084 28.88175 0.000000       0.000000 
1 1 1 -17 0  46 o 96.05136 33.17800 396.9162       168.3746 396.9162       168.3746 396.9162       168.3746 96.05136 33.17800 96.05136 33.17800 0.000000       0.000000 
1 1 1 -17 0  47 o 42.81765 27.50601 43.93522       157.5300 43.93522       157.5300 43.93522       157.5300 42.81765 27.50601 42.81765 27.50601 0.000000       0.000000 
1 1 1 -17 0  48 o 38.80299 26.04984 -19.54518      167.1542 -19.54518      167.1542 -19.54518      167.1542 38.80299 26.04984 38.80299 26.04984 0.000000       0.000000 
1 1 1 -17 1  1  o 795.7481 16.19283 18628.59       755.6990 18429.73       1286.328 18733.40       933.8442 788.5146 27.85956 797.0605 19.99289 -8.545959      34.29097 
1 1 1 -17 1  2  o 961.0645 18.88012 27205.02       1064.162 29553.64       1966.018 26231.77       1265.589 996.3480 33.69389 942.7389 22.89026 53.60907       40.73380 
1 1 1 -17 1  3  o 1412.708 32.76042 59312.81       2714.266 60031.09       3876.596 58622.05       3801.606 1410.682 46.92190 1394.315 46.55488 16.36755       66.09857 
1 1 1 -17 1  4  o 830.8248 14.45844 20295.31       704.5008 20600.70       1006.308 20001.76       986.6129 835.9246 20.52643 823.7053 20.42323 12.21924       28.95587 
1 1 1 -17 1  5  o 461.8209 10.72968 6263.490       290.6102 6182.284       401.0971 6353.228       421.6420 458.2547 14.94422 464.4848 15.49996 -6.230133      21.53087 
1 1 1 -17 1  6  o 848.6656 14.51948 21179.19       722.6669 21767.91       1041.837 20633.25       1003.264 859.1465 20.67674 836.5070 20.45009 22.63959       29.08151 
1 1 1 -17 1  7  o 634.6157 11.67192 11831.80       434.4138 11749.06       607.7198 11918.26       621.2101 631.6071 16.42005 636.1000 16.66621 -4.492920      23.39617 
1 1 1 -17 1  8  o 182.5702 14.21329 986.1307       150.9878 1014.601       215.5488 958.7030       211.5650 184.3783 20.26738 179.1269 20.50802 5.251328       28.83307 
1 1 1 -17 1  9  o 360.2778 9.812755 3814.619       207.1450 3752.908       290.8468 3878.145       295.0938 356.9509 13.91998 362.8699 13.89190 -5.918976      19.66597 
1 1 1 -17 1  10 o 173.8776 13.95973 895.0407       141.1593 945.3942       198.7992 843.8372       200.4702 177.9832 19.35660 167.7892 20.81839 10.19394       28.42681 
1 1 1 -17 1  11 o 202.9270 11.88115 1214.643       140.7812 1230.240       195.7668 1197.939       202.5982 203.6779 16.53068 200.8502 17.36994 2.827728       23.97870 
1 1 1 -17 1  12 o 227.5879 28.49054 1565.036       371.9683 1565.036       371.9683 0.000000       0.000000 227.5879 28.49054 ?        ?        0.000000       28.49054 
1 1 1 -17 1  13 f 568.0765 10.62832 9485.061       354.0967 9543.642       503.2104 9427.604       498.3616 568.9622 15.09383 565.5010 15.03995 3.461182       21.30783 
1 1 1 -17 1  14 o 539.1172 10.27086 8542.964       324.7435 8383.452       455.0879 8708.457       463.5421 533.2314 14.56586 543.4785 14.55618 -10.24713      20.59239 
1 1 1 -17 1  15 o 674.3616 13.60454 13395.56       538.0555 12224.74       861.4179 14144.57       688.9915 641.1736 22.94502 692.0941 16.97455 -50.92041      28.54136 
1 1 1 -17 1  16 o 415.8345 11.96558 5094.309       291.5096 4838.594       397.5683 5391.645       428.7036 404.3356 16.80222 426.7715 17.16319 -22.43597      24.01852 
1 1 1 -17 1  17 o 569.4960 10.35443 9540.782       345.8338 9260.207       478.8474 9846.698       500.0041 559.9969 14.59255 577.4189 14.77709 -17.42206      20.76789 
1 1 1 -17 1  18 o 668.4796 11.66357 13162.34       457.2673 13346.51       652.9422 12985.07       640.5822 671.6182 16.57684 662.4937 16.48704 9.124512       23.37978 
1 1 1 -17 1  19 o 144.4823 11.20004 618.5407       94.16347 537.5925       129.5788 709.1210       137.0714 133.6850 16.90456 154.1082 15.37077 -20.42319      22.84786 
1 1 1 -17 1  20 o 221.7777 8.750118 1448.842       113.5871 1400.155       160.3901 1497.830       160.8840 217.4776 12.62947 225.0231 12.23693 -7.545502      17.58539 
1 1 1 -17 1  21 f 670.2437 11.69217 13249.01       459.5981 13199.09       648.8748 13299.27       651.0704 667.0464 16.58648 669.5759 16.57973 -2.529541      23.45206 
1 1 1 -17 1  22 o 72.07947 18.43941 160.5847       78.25559 134.2998       111.5255 186.0784       109.8341 68.95442 23.26253 77.92627 22.67270 -8.971848      32.48378 
1 1 1 -17 1  23 o 135.9756 11.18441 549.1191       88.40392 634.0128       126.6113 468.3579       123.4912 145.4837 15.05646 124.3076 17.41620 21.17606       23.02218 
1 1 1 -17 1  24 o 266.0042 8.179796 2083.976       127.4574 2234.802       185.6547 1949.513       175.2950 274.8878 11.54164 256.6848 11.67501 18.20291       16.41692 
1 1 1 -17 1  25 o 237.7057 8.756571 1665.785       121.8656 1682.245       171.8842 1649.148       172.8076 238.2564 12.34309 235.8554 12.53804 2.401016       17.59416 
1 1 1 -17 1  26 o 287.6570 8.660694 2438.125       145.9430 2358.325       209.0070 2514.056       203.8777 282.1349 12.66374 291.4799 11.95179 -9.345001      17.41308 
1 1 1 -17 1  27 o 390.0511 8.922711 4479.743       204.1122 4450.142       286.0123 4510.464       291.3789 387.7713 12.59316 390.3500 12.74488 -2.578705      17.91703 
1 1 1 -17 1  28 f 519.7329 10.00926 7963.051       305.0934 7902.548       428.3973 8025.319       434.6041 516.2031 14.16401 520.1607 14.25987 -3.957581      20.09883 
1 1 1 -17 1  29 o 306.8488 8.699596 2774.954       156.3996 2759.328       219.2165 2791.152       223.2021 305.2263 12.27120 306.9459 12.42466 -1.719574      17.46294 
1 1 1 -17 1  30 o 212.6731 9.598633 1336.551       119.4130 1292.279       167.4612 1382.351       170.3262 208.2633 13.78805 215.4865 13.54609 -7.223160      19.32891 
1 1 1 -17 1  31 o 303.7745 8.575591 2721.767       152.6269 2878.926       220.5603 2577.358       211.4236 311.5437 12.09438 294.7035 12.25934 16.84018       17.22108 
1 1 1 -17 1  32 o 413.6206 9.014800 5048.672       218.6798 5108.757       312.7588 4991.203       305.8761 414.5213 12.88070 409.7797 12.74303 4.741577       18.11897 
1 1 1 -17 1  33 o 139.7074 12.70921 584.8246       102.9944 598.8140       151.5323 572.8127       140.4144 139.6051 19.00039 136.8308 17.92841 2.774307       26.12360 
1 1 1 -17 1  34 o 248.2332 9.166762 1823.398       133.2232 1864.531       192.6886 1785.729       184.3969 249.8213 13.19835 244.5716 12.90137 5.249710       18.45649 
1 1 1 -17 1  35 o 432.8369 9.277749 5543.248       235.5143 5401.268       331.3070 5688.286       334.8565 425.0606 13.30652 436.3461 13.09993 -11.28549      18.67275 
1 1 1 -17 1  36 o 130.8714 13.70272 518.8184       103.6152 634.0817       154.6022 424.8261       139.6100 142.9196 18.90821 115.6439 21.37169 27.27573       28.53541 
1 1 1 -17 1  37 o 171.9451 10.84943 885.4421       108.8497 996.7723       161.2606 792.2659       147.5279 180.6402 15.36746 160.7011 15.85979 19.93904       22.08374 
1 1 1 -17 1  38 o 142.5248 11.82510 614.2493       97.95399 592.5725       138.0117 636.2535       139.0499 137.5550 17.50347 142.8843 16.92147 -5.329239      24.34559 
1 1 1 -17 1  39 o 105.3819 15.41367 347.1569       92.44562 123.3739       278.2985 374.9128       98.01113 79.46458 33.88904 109.4549 15.71864 -29.99028      37.35696 
1 1 1 -17 1  40 o 90.90730 18.56475 268.3467       95.62759 205.2329       295.6326 275.7221       101.0607 85.52280 35.60714 91.81611 19.37755 -6.293304      40.53835 
1 1 1 -17 1  41 o 220.0580 8.716409 1448.654       112.2704 1596.917       163.9292 1317.678       154.0770 228.8842 12.25679 207.5516 12.71897 21.33263       17.66355 
1 1 1 -17 1  42 o 56.17904 20.75619 90.81476       90.44107 35.08020       132.0145 140.1091       124.1532 54.56913 23.30830 66.63609 24.36941 -12.06696      33.72158 
1 1 1 -17 1  43 o 183.4099 10.38172 1020.931       111.2156 1066.416       150.4003 966.0497       165.2053 184.9790 13.96677 174.1203 16.37001 10.85870       21.51855 
1 1 1 -17 1  44 o 68.51376 23.25518 161.2076       111.4628 144.5260       155.7612 178.7155       159.5724 68.10374 26.72462 72.36573 27.39872 -4.261986      38.27395 
1 1 1 -17 1  45 o 27.88086 14.02769 -290.2009      103.6684 -325.6091      152.1671 -259.5316      141.6190 36.15642 18.01168 36.63649 18.09645 -0.4800682     25.53238 
1 1 1 -17 1  46 o 68.87321 23.48778 168.0984       113.7215 152.0744       164.4778 182.7744       157.4080 68.33667 27.25661 71.62624 27.19072 -3.289574      38.50010 
1 1 1 -17 1  47 o 44.41318 20.21970 -29.98833      115.7410 -68.59914      158.6943 13.88958       169.1726 48.64650 22.68560 55.66363 24.97522 -7.017128      33.74015 
1 1 1 -17 1  48 o 98.59377 22.22405 351.5038       125.4227 231.6099       180.1759 464.2205       174.6998 76.40802 29.07084 108.3175 27.46600 -31.90943      39.99369 
1 1 1 -17 2  1  o 835.3584 16.76340 20534.71       821.2690 20011.95       1380.485 20821.08       1021.746 821.4008 28.70080 840.3851 20.73070 -18.98425      35.40477 
1 1 1 -17 2  2  o 556.0681 13.21945 9087.175       431.1139 8529.905       693.2498 9438.587       550.5099 537.2570 22.04860 566.1201 16.59874 -28.86310      27.59817 
1 1 1 -17 2  3  o 225.6635 15.63928 1505.033       205.6996 1512.383       285.2389 1497.069       296.9189 225.3834 21.85316 224.0596 22.91810 1.323853       31.66702 
1 1 1 -17 2  4  o 571.0479 11.60306 9578.918       388.5934 9610.974       542.3683 9545.106       557.0333 571.3068 16.20366 569.2703 16.70252 2.036560       23.27086 
1 1 1 -17 2  5  o 705.3358 12.74624 14619.59       527.2645 15132.50       762.7190 14150.13       729.7055 716.5914 18.16321 692.9625 17.97025 23.62891       25.55058 
1 1 1 -17 2  6  o 864.0302 14.73993 21955.42       746.9215 21570.84       1041.013 22363.47       1072.294 855.2093 20.75551 870.7213 20.99830 -15.51202      29.52490 
1 1 1 -17 2  7  o 300.7467 10.81709 2660.012       190.4820 2462.199       264.3313 2873.702       274.7343 288.8586 15.66175 312.1996 15.04912 -23.34103      21.72018 
1 1 1 -17 2  8  o 468.2581 10.15006 6439.337       278.7433 6393.115       389.3456 6487.940       399.2458 466.0190 14.26240 469.4326 14.51908 -3.413666      20.35239 
1 1 1 -17 2  9  o 258.9700 10.80119 1973.557       163.6880 2129.333       226.0562 1801.848       237.3351 268.6599 14.39968 246.8243 16.49005 21.83560       21.89229 
1 1 1 -17 2  10 o 556.2445 10.67435 9090.107       348.2231 9148.059       495.2570 9033.447       489.7135 557.2775 15.16745 553.7853 15.09229 3.492126       21.39693 
1 1 1 -17 2  11 o 515.9806 10.24185 7821.642       309.9290 8024.033       442.4421 7626.646       434.2832 521.9313 14.46811 508.8170 14.56828 13.11438       20.53195 
1 1 1 -17 2  12 o 191.5471 30.14869 1119.671       327.5023 1119.671       327.5023 0.000000       0.000000 191.5471 30.14869 ?        ?        0.000000       30.14869 
1 1 1 -17 2  13 o 608.3809 11.09496 10881.30       395.8694 10972.90       566.5702 10793.93       553.3514 609.9240 15.85243 604.9803 15.60890 4.943726       22.24718 
1 1 1 -17 2  14 o 254.9419 9.405301 1912.302       140.3846 1858.900       194.4014 1970.499       202.9414 250.9347 13.25658 258.3541 13.44004 -7.419342      18.87781 
1 1 1 -17 2  15 o 740.3279 14.81185 16158.94       643.1083 19125.33       1271.768 15139.78       745.4420 799.9217 27.14811 715.7592 17.75810 84.16254       32.44025 
1 1 1 -17 2  16 o 282.7877 8.548329 2351.791       141.6098 2307.233       197.7844 2398.658       202.8445 279.6881 12.08631 285.1763 12.15617 -5.488129      17.14209 
1 1 1 -17 2  17 f 843.8153 20.06161 21131.85       992.8046 19395.89       1309.449 23478.99       1522.614 803.5422 27.82823 882.9232 29.44586 -79.38104      40.51505 
1 1 1 -17 2  18 o 391.9652 8.575093 4516.205       197.1228 4593.418       280.1343 4440.475       277.4328 394.6401 12.11796 387.9916 12.20747 6.648468       17.20079 
1 1 1 -17 2  19 o 284.4373 8.261368 2380.303       137.6666 2414.684       195.5286 2346.507       193.8621 286.0159 11.68112 281.9315 11.75038 4.084412       16.56864 
1 1 1 -17 2  20 o 93.40344 16.79769 266.3106       88.63323 231.3772       121.7549 305.6930       129.2756 86.46054 23.43165 99.18594 22.71378 -12.72540      32.63369 
1 1 1 -17 2  21 f 397.3967 8.538736 4645.276       199.0070 4571.010       278.9212 4722.285       284.0251 393.4127 12.10318 399.8704 12.12521 -6.457703      17.13206 
1 1 1 -17 2  22 o 431.1752 8.760081 5471.028       221.5197 5574.694       317.7130 5372.958       309.0203 434.2728 12.48743 426.3678 12.37119 7.904968       17.57789 
1 1 1 -17 2  23 o 205.1689 8.998775 1241.641       108.0160 1110.617       157.0569 1359.240       148.7932 193.1997 13.95522 214.2294 11.88940 -21.02974      18.33319 
1 1 1 -17 2  24 o 228.4449 8.644848 1538.391       115.6126 1356.937       162.5553 1724.129       164.4632 213.7955 13.02621 241.3607 11.65297 -27.56522      17.47781 
1 1 1 -17 2  25 o 350.4628 8.447168 3615.131       173.6215 3575.679       246.6891 3653.855       244.4027 347.6555 12.11755 351.5014 11.87277 -3.845917      16.96460 
1 1 1 -17 2  26 o 61.78365 21.16202 105.7040       92.33593 161.9720       131.9787 51.75525       129.2301 75.17503 25.30576 59.56828 24.02188 15.60674       34.89172 
1 1 1 -17 2  27 o 418.2135 9.121982 5150.943       223.7370 4981.499       312.8157 5328.410       320.1351 410.1634 13.02062 424.2618 12.88108 -14.09845      18.31553 
1 1 1 -17 2  28 o 353.2556 8.739799 3674.157       181.0677 3647.656       260.0390 3699.099       252.2744 350.9809 12.65365 353.5747 12.18403 -2.593750      17.56603 
1 1 1 -17 2  29 o 366.0090 8.727836 3945.195       187.3479 3876.066       266.0766 4013.166       263.8375 361.7474 12.56059 368.1903 12.23537 -6.442932      17.53490 
1 1 1 -17 2  30 o 311.0837 8.627189 2853.087       157.2453 2794.235       223.9917 2910.275       220.7994 306.9586 12.46827 313.3961 12.03543 -6.437531      17.32944 
1 1 1 -17 2  31 o 351.7514 8.734982 3647.346       180.1973 3737.263       260.1238 3564.384       249.8609 354.8680 12.51824 346.6210 12.31071 8.247009       17.55733 
1 1 1 -17 2  32 o 103.0422 16.43830 325.3026       96.00406 199.9018       137.0053 446.2811       134.5679 80.79572 25.70188 120.0968 19.79459 -39.30103      32.44090 
1 1 1 -17 2  33 o 118.6223 14.11201 425.2516       96.25385 497.0284       139.4913 360.0111       132.9884 126.8585 19.36139 106.8318 21.96006 20.02670       29.27640 
1 1 1 -17 2  34 o 219.5262 9.445094 1427.452       121.3182 1407.515       175.3832 1445.745       167.9948 216.7370 13.87042 219.9282 13.08374 -3.191238      19.06759 
1 1 1 -17 2  35 o 204.1301 10.24703 1238.414       122.2825 1386.392       176.0419 1100.444       169.9843 214.7825 14.05266 190.8065 15.31887 23.97594       20.78810 
1 1 1 -17 2  36 o 31.57135 15.42322 -170.1149      94.17776 -237.4555      136.7306 -109.3286      129.9063 38.19897 18.64418 43.89905 20.48937 -5.700081      27.70234 
1 1 1 -17 2  37 o 279.2867 8.692297 2315.419       142.2022 2357.771       205.6807 2276.638       196.8203 279.9966 12.55731 275.3099 12.22028 4.686768       17.52202 
1 1 1 -17 2  38 o 141.4592 11.28731 603.6434       92.86613 909.4692       311.4899 573.8083       97.29055 158.1210 34.55688 137.5813 12.18341 20.53979       36.64169 
1 1 1 -17 2  39 o 216.8403 8.641405 1401.645       109.6741 1370.313       314.2548 1405.990       117.0327 200.4899 27.44601 216.9329 9.219831 -16.44298      28.95322 
1 1 1 -17 2  40 o 110.2708 16.05596 383.1658       100.7887 842.1523       310.8139 329.2304       106.5460 147.1762 36.25108 100.8572 18.70119 46.31899       40.79062 
1 1 1 -17 2  41 o 215.2725 8.833466 1387.317       111.2876 1287.865       148.6222 1514.250       167.9049 205.3723 12.39704 222.3642 12.93081 -16.99194      17.91347 
1 1 1 -17 2  42 o 41.19359 18.43760 -22.32257      91.58576 -77.39860      127.1834 36.99871       131.9941 44.05273 20.46400 54.74931 23.34356 -10.69658      31.04347 
1 1 1 -17 2  43 o 142.6169 13.23443 632.0299       109.4319 739.7736       157.4166 531.2644       152.2336 150.8267 18.16099 125.1430 21.51768 25.68369       28.15728 
1 1 1 -17 2  44 o 71.43375 23.29453 178.5929       112.0775 223.6827       152.9550 126.3133       164.6988 78.10574 27.21400 66.66534 27.03403 11.44039       38.35936 
1 1 1 -17 2  45 o 112.1106 17.09365 412.6028       108.8411 377.7666       154.6257 446.8142       153.2329 100.2960 26.05552 111.1299 24.19839 -10.83386      35.55914 
1 1 1 -17 2  46 o 44.46280 19.74087 -5.496259      102.8148 37.19564       144.9177 -48.76376      145.8914 55.03230 23.96501 48.30207 22.25374 6.730221       32.70399 
1 1 1 -17 2  47 o 64.99928 23.05385 147.1106       110.1091 322.3038       153.9937 -36.15369      157.5010 90.50481 26.98413 50.58330 23.23811 39.92151       35.61113 
1 1 1 -17 2  48 o 80.79422 23.95982 245.7810       121.6680 156.8555       179.4798 321.3915       165.4983 68.41431 28.04026 88.64843 28.25384 -20.23412      39.80622 
1 1 1 -17 3  1  o 1214.199 23.05279 43522.36       1641.588 40804.79       2690.359 45134.28       2072.012 1167.620 39.34404 1234.248 28.62461 -66.62732      48.65512 
1 1 1 -17 3  2  o 551.1926 13.07030 8928.330       422.5123 8821.511       711.4293 8986.536       525.1572 546.3181 22.25078 552.4265 16.22689 -6.108398      27.53923 
1 1 1 -17 3  3  o 912.8336 31.66123 24777.63       1692.434 0.000000       0.000000 24777.63       1692.434 ?        ?        912.8336 31.66123 0.000000       31.66123 
1 1 1 -17 3  4  o 752.2296 18.71475 16668.60       825.6293 15818.71       1115.310 17698.99       1228.047 730.7920 26.06437 772.7354 27.13992 -41.94336      37.62880 
1 1 1 -17 3  5  o 855.8065 14.63254 21537.98       734.4225 21665.02       1043.845 21413.45       1033.493 857.0952 20.76618 852.1245 20.68016 4.970703       29.30705 
1 1 1 -17 3  6  o 651.6442 11.99634 12476.45       458.4690 12375.71       644.4149 12579.70       652.4051 648.1557 16.96716 653.4666 17.03782 -5.310852      24.04521 
1 1 1 -17 3  7  o 231.7704 12.81713 1583.653       173.5421 1835.457       241.6895 1315.654       249.3406 249.1498 16.63574 210.2167 20.48390 38.93317       26.38822 
1 1 1 -17 3  8  o 538.1124 10.69845 8505.595       337.6326 8148.867       464.4354 8905.435       491.6993 526.0544 15.06926 549.9230 15.26045 -23.86859      21.44677 
1 1 1 -17 3  9  f 471.2327 9.987729 6521.907       276.0277 6798.725       395.2048 6258.254       385.6931 480.5580 14.03756 461.0120 14.28247 19.54602       20.02603 
1 1 1 -17 3  10 o 557.4130 10.66868 9128.724       348.7693 9489.737       503.8756 8796.675       483.2400 567.5742 15.15091 546.4501 15.09308 21.12408       21.38577 
1 1 1 -17 3  11 o 391.1461 10.62907 4498.947       243.6027 4430.410       386.6933 4544.043       313.6685 387.3002 17.06617 392.7505 13.63839 -5.450378      21.84628 
1 1 1 -17 3  12 o 422.4674 13.84099 5258.905       342.4715 4687.286       495.6785 5781.006       473.7227 397.4787 21.34180 442.1867 18.30663 -44.70795      28.11770 
1 1 1 -17 3  13 o 512.2651 9.998606 7711.338       300.3895 7786.345       428.6072 7638.928       421.1215 513.9986 14.23198 509.1266 14.11726 4.872040       20.04610 
1 1 1 -17 3  14 o 447.7859 9.334683 5891.571       245.1436 5981.072       350.9319 5806.275       342.5895 450.5173 13.29647 443.8996 13.17406 6.617737       18.71769 
1 1 1 -17 3  15 o 274.1833 9.608637 2212.280       154.2700 1969.366       235.2892 2395.450       204.3163 257.8945 15.62979 285.0154 12.25179 -27.12094      19.85942 
1 1 1 -17 3  16 o 438.0235 12.81037 5656.607       328.7326 0.000000       0.000000 5656.607       328.7326 ?        ?        438.0235 12.81037 0.000000       12.81037 
1 1 1 -17 3  17 o 264.4175 10.77769 2060.883       166.7843 1877.030       224.6445 2286.697       248.9630 251.6499 15.29339 277.8386 15.33840 -26.18872      21.65997 
1 1 1 -17 3  18 o 404.9395 9.730443 4823.763       231.0858 4296.875       362.0312 5186.034       300.1953 380.7653 16.24942 419.3098 12.22030 -38.54446      20.33173 
1 1 1 -17 3  19 o 184.4002 9.706161 1003.313       104.5990 976.8734       144.9037 1032.080       151.1442 181.3831 13.72354 186.4326 13.92410 -5.049500      19.55035 
1 1 1 -17 3  20 o 346.0952 8.233301 3521.941       167.1168 3592.133       235.7832 3451.083       236.8984 348.8870 11.53919 341.9052 11.83207 6.981842       16.52728 
1 1 1 -17 3  21 o 408.7458 8.606009 4914.798       206.3030 4946.320       293.2400 4883.907       290.2952 409.2144 12.23234 406.6332 12.18644 2.581207       17.26672 
1 1 1 -17 3  22 f 121.3887 12.25399 439.4530       86.04509 486.1955       119.9876 389.9668       123.4588 126.9337 16.50867 112.8266 19.35429 14.10705       25.43865 
1 1 1 -17 3  23 o 93.29174 16.66708 266.2218       87.84444 296.7581       125.2946 236.7009       123.1936 97.52467 22.38134 87.18024 23.54545 10.34442       32.48558 
1 1 1 -17 3  24 o 179.5333 9.755551 952.5777       102.3323 958.0552       142.3854 946.7257       147.1727 179.3904 13.63583 178.2079 14.19886 1.182526       19.68612 
1 1 1 -17 3  25 o 205.7717 9.183775 1249.561       110.5507 1199.355       160.9266 1294.427       152.1288 200.7906 13.74874 208.8884 12.47468 -8.097855      18.56463 
1 1 1 -17 3  26 o 169.9129 10.59225 854.7839       105.0267 892.8963       149.5189 817.6631       147.5609 172.8839 14.89155 165.2775 15.40048 7.606415       21.42272 
1 1 1 -17 3  27 o 419.6656 9.110709 5186.720       224.2364 5356.012       320.2156 5023.824       314.1089 425.3698 12.85061 411.9044 13.01904 13.46536       18.29299 
1 1 1 -17 3  28 o 368.0337 8.842171 3988.441       190.8521 3890.971       270.3225 4085.313       269.4906 362.4834 12.73559 371.5338 12.38518 -9.050476      17.76479 
1 1 1 -17 3  29 o 469.1735 9.412662 6487.446       258.9980 6552.402       371.6273 6426.099       361.1541 470.0857 13.49366 465.6257 13.23873 4.459961       18.90351 
1 1 1 -17 3  30 o 327.9652 8.568002 3170.824       164.6591 3317.696       242.0853 3044.380       224.6205 334.5347 12.36016 320.5490 11.96928 13.98566       17.20573 
1 1 1 -17 3  31 o 175.5800 10.69353 914.5385       109.5929 804.5361       152.9434 1030.625       157.1163 163.3946 16.17227 185.5565 14.55397 -22.16191      21.75685 
1 1 1 -17 3  32 o 128.0995 13.55348 493.3758       100.2812 494.0973       142.2146 492.6622       141.4268 126.4783 19.82329 126.3178 19.73571 0.1604691      27.97251 
1 1 1 -17 3  33 o 169.1152 10.90233 850.6922       107.5555 846.5894       152.7098 854.7308       151.5101 167.4372 15.73567 168.3112 15.52373 -0.8740540     22.10424 
1 1 1 -17 3  34 o 205.0882 9.757522 1247.133       117.0262 1074.155       166.7937 1414.847       164.2361 188.7899 15.19254 217.5928 12.92813 -28.80296      19.94868 
1 1 1 -17 3  35 o 136.1618 13.52571 559.3631       106.5840 747.0719       155.7343 393.9712       146.1837 156.2874 17.27883 110.9436 23.21384 45.34385       28.93856 
1 1 1 -17 3  36 o 115.0911 15.61233 406.7062       102.6656 390.8518       149.4950 420.8577       141.2387 109.7767 23.89959 114.8617 21.76303 -5.084991      32.32368 
1 1 1 -17 3  37 f 163.7604 13.50028 813.1949       128.5082 866.4769       315.5292 802.5992       140.7069 155.4556 35.40338 162.0762 14.97201 -6.620682      38.43905 
1 1 1 -17 3  38 o 299.4743 8.069221 2662.664       141.5943 2637.139       379.1357 2666.802       152.6387 286.1281 22.78148 299.4074 8.701868 -13.27930      24.38685 
1 1 1 -17 3  39 o 164.3912 10.91177 814.9055       104.6067 1004.835       310.6319 790.6118       111.0955 166.0923 33.05229 161.5332 11.80850 4.559158       35.09836 
1 1 1 -17 3  40 o 96.78406 17.34112 300.0920       94.81558 791.4781       308.4428 248.8127       99.64015 141.7537 36.78694 86.83144 19.98145 54.92230       41.86332 
1 1 1 -17 3  41 o 242.8950 8.689273 1764.752       123.5811 1524.723       335.8430 1802.342       132.9063 207.3933 28.35315 245.1450 9.260908 -37.75177      29.82726 
1 1 1 -17 3  42 o 79.57345 20.49664 214.5900       96.23711 175.1176       125.9355 269.9958       149.2035 71.94417 24.71184 86.34879 26.73122 -14.40462      36.40376 
1 1 1 -17 3  43 o 193.5095 10.04510 1134.036       113.6103 1199.713       163.3019 1072.429       158.1600 195.9116 14.31155 184.8604 14.70943 11.05116       20.52287 
1 1 1 -17 3  44 o 52.02127 21.51745 51.70240       106.9694 -75.07756      148.4599 188.5860       154.2622 47.47259 22.07201 73.36388 27.10738 -25.89129      34.95688 
1 1 1 -17 3  45 o 50.90786 21.21813 47.36217       105.1405 62.33946       137.5738 26.32988       163.0281 56.85509 24.01916 56.61935 25.01191 0.2357368      34.67731 
1 1 1 -17 3  46 o 54.81709 21.86385 78.66033       105.8301 -17.04162      144.3575 189.8602       155.6077 50.37047 22.79273 72.37653 27.13127 -22.00607      35.43465 
1 1 1 -17 3  47 o 111.7259 19.36877 426.9484       122.3157 357.3876       185.4212 480.5382       162.7490 92.40861 29.94973 113.3128 25.14695 -20.90422      39.10698 
1 1 1 -17 3  48 o 132.4862 17.58037 586.4048       133.2313 510.1388       194.7089 653.5527       182.6991 111.3081 29.39593 133.0891 24.30207 -21.78109      38.14067 
1 1 1 -17 4  1  o 841.1558 16.73150 20822.84       825.3950 20728.27       1408.151 20872.33       1018.756 835.8265 28.76939 841.3636 20.64600 -5.537109      35.41094 
1 1 1 -17 4  2  o 1058.683 24.95749 33132.05       1549.592 0.000000       0.000000 33132.05       1549.592 ?        ?        1058.683 24.95749 0.000000       24.95749 
1 1 1 -17 4  3  o 1200.479 28.00795 42694.36       1971.907 0.000000       0.000000 42694.36       1971.907 ?        ?        1200.479 28.00795 0.000000       28.00795 
1 1 1 -17 4  4  o 381.7718 15.40083 4294.313       344.1170 0.000000       0.000000 4294.313       344.1170 ?        ?        381.7718 15.40083 0.000000       15.40083 
1 1 1 -17 4  5  o 346.7120 10.56866 3533.592       214.6505 3858.419       309.1695 3231.309       298.2484 361.9255 14.59549 331.0684 15.40288 30.85712       21.21973 
1 1 1 -17 4  6  f 845.5714 14.45678 21027.58       716.9227 21653.49       1036.347 20453.14       992.8172 856.7716 20.62479 832.7560 20.32830 24.01556       28.95896 
1 1 1 -17 4  7  o 653.8039 12.03328 12561.22       461.4047 12675.57       651.6579 12446.27       653.3953 655.8759 16.95555 649.8748 17.15836 6.001099       24.12260 
1 1 1 -17 4  8  o 465.4314 10.05186 6362.165       274.3802 6339.176       382.4240 6386.554       393.8947 464.0341 14.06846 465.7178 14.43882 -1.683685      20.15939 
1 1 1 -17 4  9  o 363.4262 9.858878 3882.036       209.9389 3802.262       290.7181 3968.975       303.4904 359.2662 13.82344 367.0327 14.12541 -7.766479      19.76398 
1 1 1 -17 4  10 o 79.79740 24.35435 189.2327       124.3935 272.0557       160.5152 64.70306       196.8235 94.68513 27.36793 72.68481 29.52445 22.00031       40.25788 
1 1 1 -17 4  11 o 305.4998 12.58421 2749.539       224.9865 2818.131       295.3352 2654.684       347.3023 308.8042 16.36572 299.1242 19.91063 9.679962       25.77344 
1 1 1 -17 4  12 o 474.7361 14.47062 6642.825       402.4229 6324.942       588.6365 6921.772       551.4095 461.7207 21.79945 483.6152 19.48110 -21.89450      29.23575 
1 1 1 -17 4  13 o 847.8505 14.29672 21173.43       710.8961 21119.88       1005.140 21227.02       1005.578 844.8799 20.28528 847.0363 20.24246 -2.156372      28.65745 
1 1 1 -17 4  14 f 389.5852 12.16166 4470.522       277.5323 4373.612       366.9966 4599.972       424.1597 384.6528 16.30530 394.0731 18.40362 -9.420258      24.58772 
1 1 1 -17 4  15 o 468.3120 12.95538 6464.024       355.4828 5985.908       463.4325 7147.482       554.0831 449.6702 17.60686 490.9773 19.28005 -41.30707      26.10981 
1 1 1 -17 4  16 o 551.8955 14.45333 8990.936       467.4135 0.000000       0.000000 8990.936       467.4135 ?        ?        551.8955 14.45333 0.000000       14.45333 
1 1 1 -17 4  17 o 290.7800 9.392136 2488.851       159.9593 2125.623       239.6418 2780.734       214.8211 267.8229 15.32075 307.0253 11.95317 -39.20233      19.43203 
1 1 1 -17 4  18 o 387.9164 11.52847 4436.729       261.9859 4409.164       360.8771 4467.446       380.9450 385.7433 15.98648 388.0851 16.77691 -2.341827      23.17395 
1 1 1 -17 4  19 o 260.7757 8.297790 2001.292       126.7439 2144.505       182.4939 1867.848       176.1596 269.5083 11.57281 251.4266 11.98108 18.08168       16.65762 
1 1 1 -17 4  20 o 407.0991 8.685444 4874.675       207.3684 4671.638       291.7945 5081.853       294.7544 397.6839 12.52652 414.8868 12.12681 -17.20288      17.43483 
1 1 1 -17 4  21 o 171.9847 9.784041 873.7705       98.27962 935.7677       137.7561 809.5043       140.2543 177.4611 13.33351 164.7433 14.66964 12.71777       19.82374 
1 1 1 -17 4  22 o 333.7239 8.159955 3276.193       159.7076 3473.633       233.0455 3101.354       219.3018 342.8868 11.60555 323.9800 11.56033 18.90683       16.38078 
1 1 1 -17 4  23 o 42.51547 18.18288 -1.575112      80.52321 -44.79679      109.4760 49.36996       118.8554 45.07359 20.16734 57.45488 23.08368 -12.38129      30.65254 
1 1 1 -17 4  24 o 171.1991 10.32981 867.2925       103.2331 1019.804       150.1542 730.5859       142.1610 185.0498 13.93806 156.0836 15.74503 28.96623       21.02796 
1 1 1 -17 4  25 o 344.5873 8.384335 3494.732       169.4410 3275.618       236.8118 3724.578       242.5423 332.7221 12.15631 354.9427 11.66727 -22.22055      16.84937 
1 1 1 -17 4  26 o 128.2244 13.08893 491.3275       97.05054 440.1169       133.3073 549.0792       141.5650 119.8484 19.64589 134.4735 18.43491 -14.62513      26.94080 
1 1 1 -17 4  27 o 222.1055 9.614983 1456.185       124.9477 1404.182       177.4435 1507.328       175.9713 217.2890 13.99873 225.2928 13.37840 -8.003738      19.36352 
1 1 1 -17 4  28 o 384.8932 9.904677 4369.828       223.3933 4008.509       347.8409 4623.475       291.4408 366.8064 16.20940 395.2031 12.59024 -28.39670      20.52459 
1 1 1 -17 4  29 o 419.7013 9.082451 5189.957       223.5599 5330.748       324.9820 5063.478       308.0222 424.0823 13.08212 413.4258 12.71894 10.65656       18.24591 
1 1 1 -17 4  30 o 367.5092 8.846089 3980.348       190.6646 4023.701       276.2826 3940.926       263.4555 368.2871 12.81086 364.6272 12.33769 3.659912       17.78586 
1 1 1 -17 4  31 o 218.6703 9.573567 1414.018       122.4786 1455.808       175.1558 1374.034       171.3295 220.9580 13.58214 214.6127 13.68340 6.345261       19.27978 
1 1 1 -17 4  32 o 72.19502 20.75018 162.0104       92.51733 146.1628       133.4855 176.6608       128.3444 72.29424 25.40623 76.57442 24.92479 -4.280182      35.59104 
1 1 1 -17 4  33 o 243.4847 8.887823 1752.754       126.7034 1728.805       182.1787 1775.192       176.3354 240.7139 12.95234 244.1177 12.35675 -3.403854      17.90119 
1 1 1 -17 4  34 o 175.6053 10.70087 917.3672       109.6834 948.9266       161.1624 890.1366       149.7023 177.1929 15.66974 171.7880 15.00944 5.404877       21.69848 
1 1 1 -17 4  35 o 141.9280 12.75225 605.6624       105.0160 796.6306       160.9115 463.9747       138.6029 161.4040 17.26692 121.7461 20.11359 39.65791       26.50854 
1 1 1 -17 4  36 o 105.2724 21.35100 354.4080       127.3061 326.0847       328.9167 359.3986       138.0670 102.6630 39.22545 105.4291 22.97973 -2.766151      45.46102 
1 1 1 -17 4  37 o 193.3904 9.667408 1115.274       109.2990 934.7297       348.1940 1135.009       115.1176 159.2861 37.83715 194.9492 10.10308 -35.66310      39.16277 
1 1 1 -17 4  38 o 139.1601 11.53812 585.3804       93.32162 589.2586       311.2495 584.9973       97.82212 123.0743 38.68717 138.8979 12.13014 -15.82358      40.54427 
1 1 1 -17 4  39 o 131.0687 12.28014 523.4305       93.29662 580.8323       306.2614 517.5587       97.95223 120.5611 38.43612 130.0263 13.01991 -9.465279      40.58144 
1 1 1 -17 4  40 o 138.2578 12.80169 585.5063       102.6238 474.5926       294.7614 600.8051       109.4729 108.6596 37.78356 139.7245 13.52834 -31.06493      40.13245 
1 1 1 -17 4  41 o 83.32176 19.79821 231.3922       95.30937 -41.76025      297.6982 262.5874       100.6047 69.19258 31.84600 88.86618 19.80926 -19.67360      37.50432 
1 1 1 -17 4  42 o 103.7682 16.57703 346.2610       97.49068 292.0429       313.3021 352.0737       102.5836 89.08373 36.83413 104.2056 17.39860 -15.12183      40.73653 
1 1 1 -17 4  43 o 40.80293 18.74006 -50.27807      102.3368 -47.36819      140.2163 -53.59494      149.7011 48.33750 22.10136 49.46986 22.70030 -1.132359      31.68239 
1 1 1 -17 4  44 o 128.5949 14.18997 522.0142       105.2402 578.3957       143.9209 457.2214       154.2832 131.7951 19.18230 113.2122 23.98360 18.58291       30.71113 
1 1 1 -17 4  45 o 140.1924 13.26977 616.6532       107.8048 507.7686       147.3546 742.0502       158.1335 120.9670 21.56123 149.6221 18.40856 -28.65502      28.35069 
1 1 1 -17 4  46 o 64.37845 23.66551 139.6620       117.3213 99.05756       171.5842 175.3126       160.7772 63.32509 26.79188 70.65427 27.31338 -7.329185      38.25997 
1 1 1 -17 4  47 o 101.4970 22.48380 371.3680       130.3086 367.0292       220.3163 373.7025       161.6063 90.83668 32.56737 97.33968 27.24077 -6.502998      42.45814 
1 1 1 -17 4  48 o 69.19296 25.22685 175.8256       132.8929 17.84163       210.0036 281.3468       171.6287 59.63450 27.18291 82.54513 28.82305 -22.91063      39.61917 
1 1 1 -17 5  1  o 1211.023 22.95842 43305.79       1630.590 39234.80       2591.703 45973.06       2097.822 1144.827 38.65611 1245.323 28.72342 -100.4954      48.15942 
1 1 1 -17 5  2  o 1174.221 27.38870 40835.27       1886.131 0.000000       0.000000 40835.27       1886.131 ?        ?        1174.221 27.38870 0.000000       27.38870 
1 1 1 -17 5  3  o 551.9274 15.87124 8970.311       513.2065 0.000000       0.000000 8970.311       513.2065 ?        ?        551.9274 15.87124 0.000000       15.87124 
1 1 1 -17 5  4  o 424.4319 11.69674 5296.339       290.8767 5560.804       472.0157 5134.416       369.3412 434.0544 18.58524 417.5202 15.10833 16.53418       23.95147 
1 1 1 -17 5  5  o 745.3278 13.16447 16329.45       575.4417 16406.61       816.5877 16253.34       811.0356 745.9384 18.68062 742.4525 18.64079 3.485840       26.39023 
1 1 1 -17 5  6  o 654.9700 12.05059 12606.08       462.8925 12566.13       651.3582 12646.84       657.9493 653.0278 17.02190 655.1008 17.13985 -2.072937      24.15615 
1 1 1 -17 5  7  o 508.5752 10.46180 7597.186       312.0414 7906.263       445.5633 7299.679       437.1436 518.1955 14.67584 497.8598 14.98861 20.33566       20.97710 
1 1 1 -17 5  8  o 407.5170 9.849342 4877.382       235.3984 4750.538       325.2846 5016.848       341.0843 401.6445 13.82992 412.7263 14.11199 -11.08185      19.75892 
1 1 1 -17 5  9  o 76.43415 25.06977 166.1549       129.7242 204.7083       169.8392 112.1655       200.9838 85.55847 28.70617 78.02322 30.43317 7.535255       41.83565 
1 1 1 -17 5  10 o 340.1886 10.47558 3403.586       208.7519 3612.546       328.6896 3262.320       270.2545 349.8059 16.06458 332.6735 13.88224 17.13239       21.23175 
1 1 1 -17 5  11 o 375.6073 10.66827 4149.510       234.7677 4047.845       280.0385 4389.938       430.6511 370.7148 12.90000 385.0849 19.12846 -14.37018      23.07180 
1 1 1 -17 5  12 o 112.0422 25.02110 387.3290       160.2548 105.9906       340.2868 467.5081       181.6607 94.37672 38.63730 123.1517 25.97080 -28.77501      46.55452 
1 1 1 -17 5  13 o 335.8429 10.56664 3319.035       207.8658 3500.286       258.2151 2985.308       350.3781 344.6235 12.79798 317.2404 18.91799 27.38312       22.84028 
1 1 1 -17 5  14 o 326.7242 8.741583 3138.368       167.3522 3140.509       238.3486 3136.287       235.0299 326.4007 12.47415 326.2036 12.30732 0.1971130      17.52354 
1 1 1 -17 5  15 o 467.1671 12.87243 6433.056       352.3459 6138.817       467.3055 6820.726       536.3928 455.3391 17.53184 479.5717 19.10950 -24.23260      25.93334 
1 1 1 -17 5  16 o 681.3787 16.90412 13729.11       675.5097 0.000000       0.000000 13729.11       675.5097 ?        ?        681.3787 16.90412 0.000000       16.90412 
1 1 1 -17 5  17 o 531.1529 14.10725 8332.097       439.0639 0.000000       0.000000 8332.097       439.0639 ?        ?        531.1529 14.10725 0.000000       14.10725 
1 1 1 -17 5  18 o 217.8999 9.036367 1398.716       115.2280 1359.207       156.4671 1445.534       170.3278 214.3428 12.50123 220.9570 13.20422 -6.614136      18.18329 
1 1 1 -17 5  19 o 149.2957 11.10836 660.2707       96.56603 695.3890       132.3436 620.2847       141.2179 152.6257 14.97780 143.6612 17.09595 8.964462       22.72897 
1 1 1 -17 5  20 o 425.8060 8.904601 5334.161       222.3703 5385.175       320.7117 5286.928       308.5964 426.9002 12.82421 423.0774 12.45068 3.822815       17.87400 
1 1 1 -17 5  21 o 598.7965 10.76989 10568.88       378.2170 10640.21       540.9931 10500.70       528.9688 599.0023 15.41252 595.1649 15.16688 3.837402       21.62360 
1 1 1 -17 5  22 o 441.3684 9.015106 5734.835       233.3580 5455.944       326.0889 6027.585       334.0927 429.4187 12.96290 451.4742 12.63021 -22.05554      18.09859 
1 1 1 -17 5  23 o 270.1938 8.242222 2150.077       130.4554 2077.504       185.4827 2221.119       183.5167 264.9527 11.96760 274.0810 11.44201 -9.128296      16.55726 
1 1 1 -17 5  24 o 113.9166 14.01275 390.0048       91.64799 323.0300       125.6813 466.0610       133.9314 101.8802 21.69962 123.5449 19.09995 -21.66473      28.90816 
1 1 1 -17 5  25 o 237.8982 8.775846 1668.507       122.2322 1548.662       169.1800 1799.385       176.7964 228.5112 12.67346 246.4499 12.27050 -17.93869      17.64035 
1 1 1 -17 5  26 o 130.1880 13.19005 506.4717       99.32073 424.0396       137.7024 595.8560       143.3917 117.3145 20.77447 140.3298 17.82465 -23.01527      27.37328 
1 1 1 -17 5  27 o 248.7359 9.118326 1824.497       132.7910 1672.876       186.0474 1981.951       189.5924 237.3724 13.41884 258.6281 12.53690 -21.25571      18.36407 
1 1 1 -17 5  28 f 57.48501 21.62126 74.80325       98.99892 53.29676       135.8427 99.16406       144.5764 60.85989 24.59809 67.79094 25.97999 -6.931053      35.77745 
1 1 1 -17 5  29 o 406.6458 9.017391 4872.208       215.0541 5045.815       314.3383 4719.450       294.8601 412.5687 13.00749 399.1194 12.61271 13.44931       18.11837 
1 1 1 -17 5  30 o 161.6474 11.47062 776.5484       108.0378 804.0842       155.3641 750.7657       150.3370 163.3858 16.43695 157.8102 16.48645 5.575638       23.28038 
1 1 1 -17 5  31 o 425.3709 9.228157 5339.119       230.2148 5408.018       337.1765 5278.951       315.0904 426.3907 13.50040 421.5867 12.75844 4.803955       18.57522 
1 1 1 -17 5  32 o 119.8429 14.90907 434.9771       102.5291 412.3956       145.6570 457.1546       144.3480 114.4646 22.50003 121.1159 21.08736 -6.651329      30.83712 
1 1 1 -17 5  33 o 137.9464 12.91790 570.9626       103.2931 434.2346       149.0314 697.3668       143.2946 117.3510 22.47217 151.6062 16.37573 -34.25520      27.80581 
1 1 1 -17 5  34 o 105.3585 16.98153 342.2686       101.3630 381.8851       150.3365 309.2475       137.2531 109.1596 24.12581 98.13142 24.04119 11.02816       34.05927 
1 1 1 -17 5  35 o 270.6511 8.994260 2169.638       142.5680 2167.370       211.5338 2171.526       192.9838 268.8610 13.45812 269.6323 12.23578 -0.7712402     18.18888 
1 1 1 -17 5  36 o 198.0554 9.441319 1166.292       109.3497 794.7571       378.3769 1200.150       114.2236 145.5483 42.00379 200.8318 9.726718 -55.28343      43.11528 
1 1 1 -17 5  37 o 55.85070 20.63540 81.63661       89.39246 -249.5683      343.7336 105.6618       92.57791 68.42782 32.36855 60.40156 21.16339 8.026260       38.67315 
1 1 1 -17 5  38 o 247.8282 8.468781 1827.182       122.9090 1632.615       356.3112 1853.460       130.9463 219.0416 28.40480 249.3903 8.967483 -30.34871      29.78672 
1 1 1 -17 5  39 o 157.7749 10.97403 751.6178       100.9112 882.5262       319.4460 737.1064       106.3573 151.5665 36.39670 155.9252 11.71624 -4.358765      38.23598 
1 1 1 -17 5  40 o 118.4129 13.87300 434.1733       94.51847 501.8655       298.4667 426.6281       99.64706 111.0092 38.04622 116.9185 14.86799 -5.909370      40.84816 
1 1 1 -17 5  41 o 221.4958 9.294724 1473.032       120.4720 1562.164       334.7238 1459.768       129.1253 210.0265 27.86110 220.0731 10.03084 -10.04654      29.61180 
1 1 1 -17 5  42 o 98.28578 17.66368 315.0152       98.07504 722.6885       326.0041 274.4472       102.8391 126.9033 39.55001 90.39996 19.93406 36.50335       44.28961 
1 1 1 -17 5  43 o 41.57695 18.56992 -18.27871      92.38373 -53.04251      122.6644 27.28476       140.4311 44.70980 20.52800 54.57880 23.68092 -9.869003      31.33983 
1 1 1 -17 5  44 o 132.4490 14.17920 553.6847       108.4296 575.0237       144.4211 526.1166       164.1520 131.2239 19.34545 121.7267 23.84711 9.497154       30.70718 
1 1 1 -17 5  45 o 68.17883 26.56503 152.9415       153.0091 0.000000       0.000000 152.9415       153.0091 ?        ?        68.17883 26.56503 0.000000       26.56503 
1 1 1 -17 5  46 o 53.95740 22.44803 61.64149       117.3713 -236.9428      176.4031 298.8285       157.2238 43.14630 21.08438 87.13863 27.51029 -43.99233      34.66074 
1 1 1 -17 5  47 o 98.22694 22.89682 351.1392       129.4577 486.0360       211.1774 269.9232       163.8579 106.2595 31.57955 82.04839 28.18783 24.21115       42.32991 
1 1 1 -17 6  1  o 816.8139 19.84013 19670.60       950.4256 18024.53       1243.379 21984.21       1474.088 779.5718 27.23734 860.3125 29.25829 -80.74072      39.97400 
1 1 1 -17 6  2  o 267.5736 13.07431 2109.419       204.5484 1975.243       301.2983 2224.127       278.5851 258.0522 20.06611 274.2828 17.40826 -16.23065      26.56495 
1 1 1 -17 6  3  o 348.9699 11.56371 3581.669       236.3391 3207.038       344.9474 3913.121       324.4604 329.4830 17.91872 364.3946 15.21584 -34.91165      23.50750 
1 1 1 -17 6  4  o 267.5853 12.25829 2108.548       191.8613 1888.854       272.2061 2325.445       270.4680 252.5115 18.50947 280.5791 16.50949 -28.06761      24.80250 
1 1 1 -17 6  5  o 380.6547 11.34906 4260.792       253.0791 4181.965       383.9691 4321.340       336.5218 376.3999 17.44129 382.9560 15.01260 -6.556061      23.01254 
1 1 1 -17 6  6  o 198.1013 13.39190 1159.167       154.6750 1163.391       199.6021 1152.817       244.7143 197.9776 17.36661 196.4192 21.59949 1.558441       27.71528 
1 1 1 -17 6  7  o 121.5428 20.33569 447.6341       139.8400 363.3784       174.8944 596.9741       232.8435 108.5838 27.45276 139.1670 29.44840 -30.58313      40.25994 
1 1 1 -17 6  8  o 145.8034 16.75773 634.4673       140.6935 561.5820       184.4390 735.9039       217.5856 135.7657 24.04381 155.7795 24.63423 -20.01378      34.42311 
1 1 1 -17 6  9  o 173.9506 13.68934 895.7330       138.5312 1036.078       178.0718 680.5869       220.4770 186.8083 16.42048 149.3380 26.12436 37.47031       30.85635 
1 1 1 -17 6  10 o 503.3312 13.71123 7461.044       404.3672 7198.976       539.1779 7797.927       611.3145 493.4979 18.66292 513.2640 20.34862 -19.76614      27.61106 
1 1 1 -17 6  11 o 340.9184 9.336622 3416.758       186.5012 3312.406       254.9121 3536.954       273.5815 335.2711 12.98871 346.3994 13.49244 -11.12833      18.72839 
1 1 1 -17 6  12 o 257.7617 12.09333 1958.786       182.3066 2219.016       368.7423 1874.599       209.7326 272.5187 23.29468 251.8827 14.25587 20.63608       27.31066 
1 1 1 -17 6  13 o 213.5421 9.915614 1343.131       123.8416 1398.285       167.0393 1275.814       184.5428 217.5326 13.15461 207.4647 15.27418 10.06790       20.15799 
1 1 1 -17 6  14 o 563.1424 10.45087 9325.471       345.1605 9366.518       489.3720 9284.837       486.8987 563.3940 14.82361 560.9328 14.81349 2.461243       20.95660 
1 1 1 -17 6  15 o 622.6764 11.09560 11408.86       405.1948 11647.22       582.6051 11185.54       563.9159 627.8336 15.83529 615.3142 15.63936 12.51941       22.25637 
1 1 1 -17 6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 6  17 o 424.6480 9.027122 5302.343       224.8169 5273.640       319.5066 5330.488       316.3943 422.7014 12.90341 425.0170 12.70749 -2.315613      18.11017 
1 1 1 -17 6  18 o 321.0729 8.440811 3032.885       158.8040 3343.792       234.6625 2770.196       215.6995 336.6040 11.90579 306.3159 12.03024 30.28818       16.92556 
1 1 1 -17 6  19 o 268.9246 9.223866 2130.293       145.2616 2101.430       223.2025 2151.499       191.3239 266.2451 14.34742 269.8225 12.12135 -3.577393      18.78232 
1 1 1 -17 6  20 o 236.0423 8.694864 1641.236       120.1601 1611.454       168.4752 1672.072       171.4274 233.3485 12.35466 237.7115 12.33868 -4.362976      17.46083 
1 1 1 -17 6  21 o 52.97835 19.99846 61.61463       84.86682 51.99429       116.1434 72.63583       124.3122 57.35328 22.89476 61.47054 23.94653 -4.117256      33.13014 
1 1 1 -17 6  22 o 121.3568 13.03207 440.3270       91.30161 365.8829       124.0606 528.2873       134.8535 108.9837 20.15192 132.0544 17.87064 -23.07060      26.93436 
1 1 1 -17 6  23 f 441.1319 9.063648 5730.301       234.4888 5773.680       341.8411 5691.750       322.2590 441.5681 13.21493 438.6332 12.54004 2.934906       18.21777 
1 1 1 -17 6  24 o 243.9578 8.621510 1754.143       123.1588 1723.435       175.1266 1784.190       173.2344 241.1497 12.42458 245.4458 12.07153 -4.296158      17.32316 
1 1 1 -17 6  25 o 299.2731 8.585448 2638.607       150.5331 2869.707       221.0265 2438.672       205.5834 311.4080 12.12537 287.0067 12.24177 24.40131       17.23036 
1 1 1 -17 6  26 o 117.8984 14.93787 418.6381       100.9723 363.8528       138.4760 480.8368       147.5480 108.0738 22.57671 125.0894 20.84554 -17.01561      30.72856 
1 1 1 -17 6  27 o 155.5207 12.14066 718.9604       109.8571 633.6826       153.4286 808.6750       157.3692 144.5989 18.51655 164.0890 16.57991 -19.49008      24.85470 
1 1 1 -17 6  28 o 210.8245 10.50864 1314.476       129.5231 1125.487       190.7401 1476.192       176.4410 193.6765 16.96355 222.8412 13.56487 -29.16470      21.72022 
1 1 1 -17 6  29 o 334.8345 11.83245 3319.466       231.9916 3478.636       308.7938 3113.210       351.5132 341.6331 15.45196 321.9390 18.69779 19.69412       24.25636 
1 1 1 -17 6  30 o 309.9458 11.95535 2847.835       216.9119 2807.550       273.0541 2916.741       357.1120 306.7134 15.22739 310.8365 19.69064 -4.123077      24.89166 
1 1 1 -17 6  31 o 243.0070 9.617785 1746.418       136.7999 1498.877       210.7013 1926.806       179.8658 223.3304 16.19684 254.6584 12.07757 -31.32793      20.20409 
1 1 1 -17 6  32 o 185.8851 10.37819 1025.387       112.6910 1168.695       169.3501 911.5016       150.9675 197.3445 14.73865 174.0994 14.92948 23.24509       20.97897 
1 1 1 -17 6  33 o 207.0772 9.646372 1270.627       116.8293 1302.333       176.5684 1245.937       155.8141 208.2915 14.54550 204.1641 13.08182 4.127457       19.56287 
1 1 1 -17 6  34 o 157.7182 11.72112 743.2760       107.6431 840.4055       168.2689 675.9946       140.0476 165.9315 17.55718 149.0671 16.28384 16.86440       23.94615 
1 1 1 -17 6  35 o 139.8586 12.54228 588.2926       101.7854 665.8589       417.3474 583.3871       104.9546 134.4185 44.99789 139.1379 13.01287 -4.719360      46.84170 
1 1 1 -17 6  36 o 125.0124 13.51763 474.7382       97.53246 556.5362       394.7325 469.4196       100.6533 122.4861 43.62870 124.1239 14.07498 -1.637856      45.84286 
1 1 1 -17 6  37 f 44.95395 19.26429 5.277861       90.71759 52.05248       350.1269 1.911797       93.92506 82.71128 36.59093 45.27122 19.50376 37.44006       41.46436 
1 1 1 -17 6  38 o 94.99502 17.60833 287.6380       94.48862 280.7654       338.9967 288.2169       98.38779 94.84827 38.66514 94.78527 18.36238 0.6299591E-01  42.80386 
1 1 1 -17 6  39 o 184.5043 9.586322 1020.243       103.3754 1083.283       334.0180 1013.565       108.7129 170.3178 34.62078 183.6671 10.13176 -13.34932      36.07286 
1 1 1 -17 6  40 o 174.5647 10.79402 920.9921       109.9665 1296.738       334.1682 875.3609       116.4525 188.9827 31.24099 169.6915 11.77444 19.29117       33.38617 
1 1 1 -17 6  41 o 61.18312 20.98915 118.2536       90.84261 179.4439       321.6884 112.9511       94.69688 82.71667 35.86570 60.50168 21.38710 22.21500       41.75830 
1 1 1 -17 6  42 o 60.03033 21.09243 112.9232       92.00105 139.9744       326.1847 110.5852       95.89445 79.50593 35.23800 59.90842 21.48516 19.59751       41.27140 
1 1 1 -17 6  43 o 101.5502 17.15437 336.3929       98.53059 351.6468       372.6864 335.2466       102.1658 91.76381 39.17809 100.9286 17.91619 -9.164841      43.08030 
1 1 1 -17 6  44 o 114.7259 21.59288 454.7470       139.9557 365.0444       386.5951 468.2766       150.1397 90.72102 39.32718 115.2991 23.01007 -24.57812      45.56413 
1 1 1 -17 6  45 o 46.38998 20.44710 2.434726       108.3732 16.68375       155.1280 -11.14905      151.4635 54.75790 24.28352 52.05530 23.47038 2.702599       33.77200 
1 1 1 -17 6  46 o 111.5619 18.05834 416.8554       114.1177 760.7617       179.0096 181.4054       148.1173 148.0771 21.21844 70.90744 26.49273 77.16966       33.94241 
1 1 1 -17 6  47 o 80.90266 24.07860 245.1698       122.7013 78.16248       175.5353 404.7427       171.5838 61.31099 26.53923 100.5459 28.04392 -39.23494      38.61078 
1 1 1 -17 7  1  o 1192.187 22.65194 41990.38       1583.799 36920.23       2451.260 45623.84       2075.103 1110.014 37.70871 1239.995 28.53442 -129.9818      47.28805 
1 1 1 -17 7  2  o 1272.045 29.58612 48058.85       2207.196 0.000000       0.000000 48058.85       2207.196 ?        ?        1272.045 29.58612 0.000000       29.58612 
1 1 1 -17 7  3  o 1029.133 24.27899 31329.93       1465.387 0.000000       0.000000 31329.93       1465.387 ?        ?        1029.133 24.27899 0.000000       24.27899 
1 1 1 -17 7  4  o 1039.148 24.53670 31954.74       1495.354 0.000000       0.000000 31954.74       1495.354 ?        ?        1039.148 24.53670 0.000000       24.53670 
1 1 1 -17 7  5  o 484.0248 11.69449 6884.717       331.9705 6280.053       504.0905 7347.785       441.1369 461.1452 18.67755 499.4592 15.07719 -38.31396      24.00359 
1 1 1 -17 7  6  o 128.4606 20.60307 499.2249       149.9762 391.2827       196.1425 651.1695       232.7120 112.6615 29.38449 145.6721 28.25883 -33.01066      40.76775 
1 1 1 -17 7  7  o 234.7012 11.51683 1622.806       158.0412 1643.124       206.7776 1594.264       245.0804 235.7885 15.03134 231.8190 18.17153 3.969406       23.58274 
1 1 1 -17 7  8  o 521.9551 10.50976 8004.732       321.7189 7763.598       447.5240 8262.633       462.8199 513.3103 14.88143 529.5581 14.91698 -16.24780      21.07067 
1 1 1 -17 7  9  o 553.8871 14.67993 9039.250       476.4449 9381.146       667.5765 8684.313       680.1900 563.0735 20.24851 541.4278 21.46350 21.64575       29.50736 
1 1 1 -17 7  10 o 454.2199 9.859622 6061.774       262.6497 5848.846       362.1118 6298.157       381.5344 445.5324 13.87531 462.3108 14.08822 -16.77838      19.77378 
1 1 1 -17 7  11 o 197.0257 11.47924 1145.376       132.0691 1153.547       171.3512 1133.419       207.2854 197.3137 14.91794 195.0586 18.33478 2.255051       23.63703 
1 1 1 -17 7  12 o 345.2445 9.183424 3504.439       185.7788 3872.404       271.4370 3180.168       254.8121 362.4937 12.78789 328.3919 13.25778 34.10184       18.42007 
1 1 1 -17 7  13 o 428.1025 9.216127 5385.538       231.3912 5418.478       325.4962 5351.884       329.0050 428.7768 12.95874 426.0941 13.18163 2.682678       18.48470 
1 1 1 -17 7  14 o 479.6812 9.532932 6763.780       268.1821 6728.170       376.0778 6800.624       382.5382 477.6546 13.43832 480.1895 13.59719 -2.534912      19.11732 
1 1 1 -17 7  15 o 690.5261 16.82748 14098.93       681.4748 13117.95       905.4873 15380.44       1034.934 663.1639 23.31779 717.4460 24.63302 -54.28217      33.91909 
1 1 1 -17 7  16 o 606.7001 12.44190 10847.47       442.7017 10766.14       748.2680 10891.26       549.1176 601.2092 21.25518 606.9202 15.43960 -5.710938      26.27097 
1 1 1 -17 7  17 o 413.1707 12.50878 5037.873       302.7573 0.000000       0.000000 5037.873       302.7573 ?        ?        413.1707 12.50878 0.000000       12.50878 
1 1 1 -17 7  18 o 496.8044 9.644528 7263.009       281.0069 7607.014       410.4739 6959.578       385.5075 507.3173 13.80891 485.3013 13.55803 22.01596       19.35216 
1 1 1 -17 7  19 o 189.2906 9.801287 1057.595       108.4379 1010.639       148.3243 1111.508       158.9334 184.4282 13.81342 193.4083 14.10870 -8.980133      19.74503 
1 1 1 -17 7  20 o 244.8947 8.606175 1766.500       123.4140 1787.038       172.5774 1745.003       176.5582 245.8020 12.00782 242.8105 12.43999 2.991562       17.28991 
1 1 1 -17 7  21 o 292.2477 8.331931 2514.774       142.6605 2487.335       203.6451 2541.217       199.9116 290.0125 11.99902 293.2128 11.64849 -3.200378      16.72315 
1 1 1 -17 7  22 o 113.5642 13.92303 387.3519       90.79346 388.1522       127.8550 386.5378       128.9548 112.3179 20.15000 112.0251 20.37826 0.2927933      28.65826 
1 1 1 -17 7  23 o 204.2849 9.314187 1231.749       111.2981 1179.653       155.9021 1285.895       158.9403 199.2069 13.42270 208.0887 13.09004 -8.881744      18.74882 
1 1 1 -17 7  24 o 329.1462 8.441193 3190.768       162.8114 3162.406       231.5814 3218.487       228.9414 326.9291 12.09900 329.8780 11.85297 -2.948914      16.93749 
1 1 1 -17 7  25 o 302.5087 8.607283 2695.967       152.5502 2783.416       221.6591 2617.275       210.2684 306.6331 12.35110 297.3873 12.08109 9.245819       17.27722 
1 1 1 -17 7  26 o 264.4311 9.236290 2061.962       143.0188 1990.198       201.3593 2135.023       203.1712 259.0030 13.30067 268.3646 12.94701 -9.361664      18.56159 
1 1 1 -17 7  27 o 433.8655 9.300999 5545.248       236.6657 5699.844       341.0981 5401.736       328.6410 438.6386 13.27462 427.0481 13.13745 11.59045       18.67640 
1 1 1 -17 7  28 o 285.2075 8.882957 2398.191       148.4018 2331.903       214.4765 2459.076       205.5516 280.3529 13.08046 288.1293 12.19174 -7.776398      17.88119 
1 1 1 -17 7  29 o 534.5345 11.39636 8446.094       357.2667 8007.165       587.1043 8704.210       450.2211 516.2053 19.42755 541.2712 14.19500 -25.06592      24.06092 
1 1 1 -17 7  30 o 251.4548 9.045300 1866.883       133.1758 1844.875       194.5187 1886.301       182.7133 248.9617 13.37133 252.0085 12.40053 -3.046844      18.23638 
1 1 1 -17 7  31 o 442.2754 12.79247 5813.630       331.4678 5810.267       448.1765 5817.691       492.4821 439.6535 17.41599 438.7950 19.18355 0.8584595      25.90994 
1 1 1 -17 7  32 o 68.76636 21.37519 144.1558       95.29295 56.74854       140.2877 219.0361       129.8463 61.41998 24.93438 83.46598 24.75196 -22.04600      35.13379 
1 1 1 -17 7  33 o 249.7287 11.04026 1852.675       161.2960 2425.312       441.7829 1764.603       173.2563 277.0298 27.55643 243.3678 12.17748 33.66200       30.12719 
1 1 1 -17 7  34 o 220.4639 8.931419 1439.228       115.2414 1563.015       436.9551 1429.974       119.4713 215.2969 35.86699 219.6645 9.294711 -4.367676      37.05175 
1 1 1 -17 7  35 o 194.4172 9.595852 1123.058       109.0749 626.4108       412.3505 1160.423       113.1036 130.5775 44.72048 197.5798 9.791259 -67.00230      45.77980 
1 1 1 -17 7  36 o 173.9667 10.37306 904.1827       105.3530 1162.193       386.6641 883.4925       109.4958 179.3847 37.94033 171.7848 10.92492 7.599884       39.48193 
1 1 1 -17 7  37 o 89.06474 17.72937 252.5569       89.35116 -19.85000      405.6249 266.4491       91.60119 83.23363 37.87736 91.54980 17.70092 -8.316162      41.80930 
1 1 1 -17 7  38 o 179.7085 9.748806 967.2267       102.3626 590.3017       372.2198 998.0651       106.4678 119.5218 42.38738 182.4650 9.987279 -62.94323      43.54809 
1 1 1 -17 7  39 o 75.52624 20.75789 188.9349       94.77669 134.2681       319.2800 194.2174       99.25033 82.36862 35.72290 76.42825 21.33312 5.940369       41.60802 
1 1 1 -17 7  40 o 71.11115 20.67480 168.0091       91.35982 389.2581       358.5799 152.6499       94.47773 99.58610 40.06556 68.10953 21.30101 31.47657       45.37601 
1 1 1 -17 7  41 o 108.8305 15.57037 375.7319       96.55164 89.66435       326.9508 403.0627       101.0587 77.55878 34.76592 112.7013 15.71643 -35.14250      38.15332 
1 1 1 -17 7  42 o 222.7968 9.171194 1493.319       119.5792 1827.025       413.1555 1462.809       124.9261 216.4115 33.64502 220.1773 9.698335 -3.765839      35.01493 
1 1 1 -17 7  43 o 71.84569 22.06613 179.0903       101.9115 604.3008       348.9095 139.4303       106.5583 110.3235 40.76682 64.90034 22.70770 45.42313       46.66448 
1 1 1 -17 7  44 o 166.3900 15.09151 880.3106       145.6686 914.3570       365.3447 873.8750       158.8405 134.4767 41.86185 164.3668 16.70973 -29.89015      45.07361 
1 1 1 -17 7  45 o 121.6509 15.75078 478.3694       109.7393 460.5357       153.8654 496.8330       156.5592 112.8161 23.99390 117.7717 23.49076 -4.955597      33.57862 
1 1 1 -17 7  46 o 47.26676 20.64468 14.15361       108.2305 -77.33032      155.4564 100.2085       150.7732 47.68976 22.30942 61.47245 25.49717 -13.78269      33.87943 
1 1 1 -17 7  47 o 111.2488 19.78739 426.6442       124.3707 443.5453       177.4195 410.3148       174.3929 105.2694 28.18009 100.8871 28.32112 4.382332       39.95251 
1 1 1 -17 8  1  o 611.8419 13.21115 11007.41       474.0567 10135.37       741.6043 11609.95       616.4471 585.3734 21.63899 627.6223 16.76239 -42.24896      27.37194 
1 1 1 -17 8  2  f 1116.009 26.24707 36918.95       1717.905 0.000000       0.000000 36918.95       1717.905 ?        ?        1116.009 26.24707 0.000000       26.24707 
1 1 1 -17 8  3  o 1012.942 23.97719 30364.54       1424.405 0.000000       0.000000 30364.54       1424.405 ?        ?        1012.942 23.97719 0.000000       23.97719 
1 1 1 -17 8  4  o 788.0503 19.39759 18322.85       896.5042 0.000000       0.000000 18322.85       896.5042 ?        ?        788.0503 19.39759 0.000000       19.39759 
1 1 1 -17 8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 8  6  o 608.4863 12.91238 10888.92       460.7949 10911.17       767.4072 10876.38       576.2405 607.1542 21.58579 607.4188 16.19021 -0.2646484     26.98276 
1 1 1 -17 8  7  o 163.7421 15.30958 796.3733       145.3148 851.5137       188.1297 714.8143       228.8011 168.7477 19.35959 153.0551 26.44551 15.69267       32.77436 
1 1 1 -17 8  8  f 849.9858 20.22565 21351.21       1008.242 20836.16       1387.694 21927.10       1467.379 836.0995 28.34088 857.2934 29.22791 -21.19385      40.71211 
1 1 1 -17 8  9  o 729.2568 14.76399 15663.22       631.4438 15911.35       784.6895 15207.34       1063.620 734.1718 18.22425 715.0809 25.40219 19.09088       31.26331 
1 1 1 -17 8  10 o 144.5665 14.14168 621.2651       118.3682 479.7985       149.3027 860.6407       194.2141 125.6809 20.99586 169.4666 19.92098 -43.78574      28.94256 
1 1 1 -17 8  11 o 324.5652 9.092727 3097.256       172.9093 3047.261       236.9939 3154.158       252.8356 321.5407 12.59189 327.0577 13.20863 -5.516968      18.24894 
1 1 1 -17 8  12 o 155.4740 12.61848 716.1877       114.0693 723.9387       149.9998 705.5582       175.6585 155.7249 16.68387 153.1072 20.04325 2.617767       26.07841 
1 1 1 -17 8  13 o 342.0637 8.877639 3440.529       177.9458 3482.755       248.0592 3395.763       255.4085 343.7234 12.32535 339.3191 12.85769 4.404327       17.81107 
1 1 1 -17 8  14 o 392.1576 8.833955 4519.699       203.1731 4352.347       282.2438 4699.683       292.7019 384.1928 12.54316 399.2489 12.51607 -15.05606      17.71957 
1 1 1 -17 8  15 o 590.1999 14.84776 10290.89       513.5298 9879.487       696.7181 10780.25       759.8655 576.2783 20.64794 601.6180 21.57093 -25.33978      29.86038 
1 1 1 -17 8  16 o 279.1346 11.01984 2297.713       180.0467 2254.954       231.7369 2362.834       285.9840 275.9774 14.36711 281.9048 17.38225 -5.927429      22.55119 
1 1 1 -17 8  17 o 360.3109 9.455014 3821.992       199.6249 3609.297       312.8561 3968.057       259.2611 349.0096 15.32203 366.6844 12.07221 -17.67484      19.50649 
1 1 1 -17 8  18 o 590.7216 12.19236 10292.27       422.3973 9682.921       686.5496 10663.42       535.8096 569.5679 20.58690 600.1144 15.23622 -30.54657      25.61177 
1 1 1 -17 8  19 o 444.3960 9.124870 5811.370       237.8194 6250.309       354.7724 5453.165       320.4894 459.8215 13.16915 429.5881 12.73476 30.23346       18.31940 
1 1 1 -17 8  20 o 449.6985 9.157656 5952.727       241.5217 5992.040       347.7784 5916.104       335.6700 450.0752 13.18972 447.3224 12.80822 2.752777       18.38530 
1 1 1 -17 8  21 f 279.5753 8.382902 2301.867       137.2944 2345.700       198.1606 2261.401       190.3992 281.5939 12.02665 276.5304 11.76700 5.063568       16.82565 
1 1 1 -17 8  22 o 41.46186 18.05123 -13.45857      82.17953 -8.081832      107.8076 -20.91630      126.9676 48.38777 20.87132 51.28755 22.38140 -2.899784      30.60293 
1 1 1 -17 8  23 o 166.2325 10.44138 818.0432       101.2803 920.1840       138.3581 700.1257       148.6600 175.8086 13.52264 152.5018 16.90504 23.30681       21.64815 
1 1 1 -17 8  24 o 327.3450 8.582099 3156.384       164.6171 3204.443       239.5157 3113.357       226.6263 329.0200 12.43493 324.4245 11.93126 4.595520       17.23318 
1 1 1 -17 8  25 o 66.29190 21.61166 127.9089       96.47222 149.8213       132.6273 103.2881       140.5849 73.39330 25.35376 67.81792 25.70783 5.575378       36.10687 
1 1 1 -17 8  26 o 302.2598 9.110561 2692.982       161.3170 2593.254       229.7494 2789.959       226.5574 295.7423 13.28005 306.9377 12.61257 -11.19540      18.31493 
1 1 1 -17 8  27 o 305.6847 8.996843 2754.391       161.1171 2933.987       234.0895 2592.732       222.0916 314.7000 12.70952 295.7719 12.83393 18.92807       18.06216 
1 1 1 -17 8  28 o 255.1896 9.006848 1920.937       134.5875 2040.907       196.0568 1814.015       185.0876 262.2758 12.78450 247.2264 12.80901 15.04939       18.09735 
1 1 1 -17 8  29 o 144.5272 16.48699 630.7438       137.2502 681.4686       165.6002 519.4518       245.2917 149.5227 19.33676 126.4874 32.79575 23.03532       38.07192 
1 1 1 -17 8  30 o 291.7275 8.589963 2510.882       146.8067 2449.334       216.6562 2563.131       199.6206 287.0304 12.90341 294.0174 11.59938 -6.987061      17.35061 
1 1 1 -17 8  31 o 210.8392 12.82667 1325.314       157.8542 1439.570       195.8885 1113.708       266.5837 219.0121 15.34787 189.0110 24.63457 30.00113       29.02446 
1 1 1 -17 8  32 o 132.8502 17.10729 538.6714       130.1983 537.6634       417.4640 538.7801       137.0333 126.9762 44.90310 132.5614 18.09832 -5.585236      48.41319 
1 1 1 -17 8  33 o 247.2429 8.766745 1807.680       126.9185 1812.941       460.2954 1807.247       132.0370 234.2240 34.54424 247.1269 9.125813 -12.90292      35.72933 
1 1 1 -17 8  34 o 271.5395 8.432355 2180.570       134.1238 1900.630       495.7680 2202.677       139.3190 236.3484 36.97759 272.8346 8.718030 -36.48618      37.99140 
1 1 1 -17 8  35 o 146.6470 12.22558 646.4083       104.1905 430.5351       406.2224 661.6096       107.7965 114.0586 43.58894 148.2878 12.51169 -34.22917      45.34906 
1 1 1 -17 8  36 o 150.5696 11.51303 681.7798       100.8954 473.4961       393.2872 696.4537       104.3890 114.2212 43.06540 152.0974 11.79472 -37.87621      44.65136 
1 1 1 -17 8  37 o 294.3857 8.015028 2572.193       138.2509 2323.887       430.2775 2600.778       145.9921 262.4032 28.41220 295.8329 8.423153 -33.42963      29.63448 
1 1 1 -17 8  38 o 57.02658 21.10188 88.39245       93.54229 260.3156       337.8311 74.11687       97.34848 92.64768 38.27266 55.26770 21.28299 37.37999       43.79226 
1 1 1 -17 8  39 o 170.1368 10.72954 873.4045       106.5154 429.1886       385.3134 910.1594       110.8345 104.2333 41.67002 173.5958 10.94209 -69.36251      43.08271 
1 1 1 -17 8  40 f 98.18493 17.65619 311.3537       97.93238 122.7546       352.7473 327.1044       101.9398 82.18678 36.52328 100.5475 17.94550 -18.36076      40.69387 
1 1 1 -17 8  41 o 124.4820 14.85334 487.2397       106.3010 0.000000       0.000000 487.2397       106.3010 ?        ?        124.4820 14.85334 0.000000       14.85334 
1 1 1 -17 8  42 o 117.8679 15.11009 440.2662       102.0518 742.7004       351.8572 412.4882       106.6355 124.6644 41.30621 113.2249 16.54731 11.43942       44.49737 
1 1 1 -17 8  43 o 123.7634 14.42776 484.2178       102.7613 310.5007       330.9179 502.7574       108.1058 88.01750 37.22141 125.8140 14.94258 -37.79650      40.10877 
1 1 1 -17 8  44 o 73.13741 22.23234 189.2596       103.7996 427.3929       374.5048 169.4438       108.0320 93.62305 39.59465 69.49025 22.88233 24.13280       45.73115 
1 1 1 -17 8  45 o 58.33610 21.81263 105.4861       100.4473 74.85355       135.4288 142.9434       149.7574 57.74074 24.07478 66.62387 26.18626 -8.883133      35.57127 
1 1 1 -17 8  46 o 57.52954 22.89811 93.25864       115.8425 -65.41018      161.9916 259.3237       165.7242 49.34908 22.98206 80.73586 28.31347 -31.38678      36.46680 
1 1 1 -17 8  47 o 76.41246 24.04006 218.4872       120.1589 65.06893       183.4015 333.8682       159.0491 60.79914 26.70580 91.37529 27.46563 -30.57615      38.30875 
1 1 1 -17 9  1  o 658.1265 16.54273 12767.96       638.0031 11811.87       836.8415 14095.06       985.9222 631.5377 22.63060 689.4026 24.42339 -57.86487      33.29634 
1 1 1 -17 9  2  o 1308.025 30.50734 50968.46       2340.295 0.000000       0.000000 50968.46       2340.295 ?        ?        1308.025 30.50734 0.000000       30.50734 
1 1 1 -17 9  3  o 441.2730 14.79970 5738.013       382.4687 0.000000       0.000000 5738.013       382.4687 ?        ?        441.2730 14.79970 0.000000       14.79970 
1 1 1 -17 9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 9  5  o 275.6031 11.39497 2236.400       183.7849 1980.228       248.9118 2543.450       272.5107 258.7080 16.49119 293.4127 15.89567 -34.70468      22.90484 
1 1 1 -17 9  6  o 135.0856 17.41471 546.8920       134.7607 547.6414       164.9609 545.3882       233.6577 134.4159 21.66180 132.6303 30.65358 1.785660       37.53499 
1 1 1 -17 9  7  o 61.57854 24.48541 59.06263       132.3322 14.44603       153.2172 190.0745       262.5516 60.45926 25.43413 92.86903 35.14846 -32.40977      43.38559 
1 1 1 -17 9  8  o 388.9382 9.579726 4444.218       218.5165 4523.577       302.6026 4357.740       315.8830 391.8483 13.18631 384.4709 14.03271 7.377411       19.25606 
1 1 1 -17 9  9  o 183.2578 11.82189 991.8251       126.3795 1073.953       163.1801 868.7274       199.7779 190.3685 14.73028 170.1718 20.42518 20.19672       25.18272 
1 1 1 -17 9  10 o 569.0836 10.71462 9521.507       357.6049 9803.104       513.7062 9256.746       498.1135 576.4792 15.20758 560.1801 15.17576 16.29913       21.48428 
1 1 1 -17 9  11 o 234.0568 11.77429 1615.865       161.1052 1722.930       185.8487 1292.171       323.1487 241.5334 13.16976 206.3540 27.37646 35.17946       30.37949 
1 1 1 -17 9  12 o 243.4738 9.502317 1745.024       135.4246 1839.844       186.3622 1638.932       197.1298 249.6317 12.77184 235.3516 14.35005 14.28004       19.21052 
1 1 1 -17 9  13 o 296.4684 8.958786 2585.535       155.5892 2746.130       222.2726 2431.244       217.8663 305.1053 12.44797 286.9727 12.97849 18.13254       17.98314 
1 1 1 -17 9  14 o 383.9932 12.61458 4349.367       283.6985 4349.367       283.6985 0.000000       0.000000 383.9932 12.61458 ?        ?        0.000000       12.61458 
1 1 1 -17 9  15 o 644.3045 11.39583 12225.32       430.6137 12538.54       619.9885 11933.40       598.5374 651.0765 16.23682 635.0247 16.08421 16.05182       22.85468 
1 1 1 -17 9  16 o 286.6421 11.01799 2423.297       184.8772 2328.051       232.5285 2586.971       304.8198 280.4098 14.18553 294.8636 17.70832 -14.45377      22.68951 
1 1 1 -17 9  17 o 639.9763 12.98378 12087.42       487.3215 11291.03       789.6273 12577.35       619.3381 614.5294 21.94455 651.6565 16.20535 -37.12708      27.27961 
1 1 1 -17 9  18 o 525.0114 9.929031 8115.319       305.7216 8054.875       433.3033 8175.238       431.4140 521.7792 14.17285 525.7208 14.00476 -3.941589      19.92493 
1 1 1 -17 9  19 o 108.3593 14.72234 353.7493       91.14302 372.5237       119.8349 327.9850       140.3811 110.3009 19.22320 102.5156 23.80651 7.785271       30.59871 
1 1 1 -17 9  20 o 47.13602 19.35040 22.94917       85.64954 173.1125       113.3906 -176.5540      130.6984 75.75216 23.27752 40.55655 19.40150 35.19561       30.30283 
1 1 1 -17 9  21 o 216.2728 9.205140 1379.795       116.4900 1543.847       166.2092 1221.411       163.3124 228.2450 12.46391 202.6774 13.82198 25.56761       18.61172 
1 1 1 -17 9  22 o 107.1521 14.90176 346.8089       91.11530 302.6826       120.7117 405.2421       138.9091 98.60957 21.48190 114.4610 21.48174 -15.85146      30.37988 
1 1 1 -17 9  23 o 237.8707 8.944099 1668.462       124.5529 1604.093       172.4103 1738.727       180.1322 232.5742 12.68818 242.1564 12.72836 -9.582214      17.97223 
1 1 1 -17 9  24 o 172.8494 10.79811 884.7844       108.9159 926.2281       146.2466 833.1714       163.2058 176.2361 14.27148 166.5016 16.94953 9.734467       22.15765 
1 1 1 -17 9  25 o 114.9098 15.76611 399.1755       103.4525 486.9440       136.1219 279.1599       159.1760 126.3808 18.94863 94.59451 27.22667 31.78625       33.17141 
1 1 1 -17 9  26 o 208.4345 10.22949 1283.992       124.6653 1194.967       169.2380 1389.607       184.3345 200.2582 14.50814 215.9995 14.63782 -15.74124      20.60951 
1 1 1 -17 9  27 o 359.7627 8.878363 3811.854       187.3266 3815.464       272.9061 3808.638       257.5961 358.8205 12.98981 358.7031 12.26289 0.1174011      17.86375 
1 1 1 -17 9  28 o 235.1389 9.407573 1632.537       129.4717 1754.521       189.5529 1525.856       177.2655 242.9489 13.35484 226.5038 13.40431 16.44513       18.92160 
1 1 1 -17 9  29 o 384.6579 11.86014 4383.051       267.2365 4304.165       354.2074 4487.287       407.1605 379.6346 15.94444 386.6846 18.00330 -7.049927      24.04878 
1 1 1 -17 9  30 o 218.3003 12.27084 1417.461       156.4687 1427.715       196.7165 1399.800       258.1642 218.1895 15.47331 214.1322 20.81971 4.057297       25.94000 
1 1 1 -17 9  31 o 220.5780 8.696942 1437.797       112.2864 1190.873       424.8457 1456.341       116.4265 186.9536 39.95958 221.9453 8.962920 -34.99168      40.95244 
1 1 1 -17 9  32 o 190.8799 9.899377 1080.543       110.4414 869.8800       395.3798 1098.371       115.0198 157.3650 42.04174 192.3791 10.23125 -35.01411      43.26876 
1 1 1 -17 9  33 o 185.5314 9.878167 1021.754       107.0967 881.6932       394.7234 1032.883       111.2706 157.4728 41.97809 186.4643 10.21400 -28.99152      43.20285 
1 1 1 -17 9  34 o 175.4084 10.72058 917.0166       109.7590 498.8028       459.8251 942.2846       113.0261 121.8844 46.42516 177.7711 10.89325 -55.88665      47.68604 
1 1 1 -17 9  35 o 176.9191 10.60222 934.5436       109.5028 864.6686       406.2094 940.0193       113.7124 150.7670 43.52468 177.3217 10.98841 -26.55467      44.89035 
1 1 1 -17 9  36 o 75.10556 20.27987 182.1731       91.40340 727.0627       378.6086 148.4496       94.18945 135.8690 42.66289 68.46629 21.24607 67.40272       47.66044 
1 1 1 -17 9  37 o 75.96474 20.97210 188.9816       96.49902 171.1870       390.8920 190.1364       99.58117 90.88380 39.47047 76.13463 21.41113 14.74918       44.90384 
1 1 1 -17 9  38 o 188.5988 9.830916 1066.536       108.3631 1117.924       374.7948 1061.849       113.1977 168.9489 38.66412 187.9781 10.30730 -19.02917      40.01443 
1 1 1 -17 9  39 o 122.7274 14.36278 467.4506       101.4255 739.1421       375.8359 446.1096       105.3337 129.5375 42.68105 119.3765 15.40389 10.16097       45.37567 
1 1 1 -17 9  40 f 172.0301 13.67579 913.6092       136.8424 609.7282       373.9716 960.5875       147.0400 115.2816 42.27282 175.9670 14.37310 -60.68535      44.64950 
1 1 1 -17 9  41 o 80.18220 20.69994 218.4235       98.00590 310.0699       356.6539 210.9379       101.9298 91.19887 38.60773 78.48778 21.50910 12.71109       44.19500 
1 1 1 -17 9  42 o 147.2408 11.98563 666.9443       102.6054 774.4203       342.4478 656.3441       107.5463 128.2858 40.61343 145.6346 12.71909 -17.34880      42.55850 
1 1 1 -17 9  43 o 32.08604 15.71980 -170.8021      99.95198 209.9041       376.6227 -199.6477      103.6694 82.83614 37.20798 31.53971 15.56097 51.29643       40.33085 
1 1 1 -17 9  44 o 65.82629 22.67131 148.6571       106.0187 -378.5253      369.8582 195.8517       110.6625 60.28689 29.67633 73.95872 23.04175 -13.67183      37.57135 
1 1 1 -17 9  45 o 103.0745 25.02103 395.1564       149.7116 241.3466       396.1153 420.7890       161.7059 82.16455 37.40635 105.2817 26.27451 -23.11711      45.71197 
1 1 1 -17 9  46 o 58.12620 22.59231 101.4217       110.4522 50.06316       167.8229 140.6677       146.7044 58.32757 25.58554 65.56005 25.87198 -7.232479      36.38652 
1 1 1 -17 9  47 o 113.5610 19.35421 443.0102       124.2829 776.7533       194.4709 212.5919       161.5872 146.3614 23.44697 74.20867 27.68212 72.15269       36.27755 
1 1 1 -17 10 1  o 425.9665 13.17415 5342.813       328.7201 5432.215       435.2501 5224.114       501.5232 428.8737 17.34025 419.9843 20.42262 8.889496       26.79119 
1 1 1 -17 10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 10 3  o 835.2854 20.00700 20613.07       980.0934 18651.82       1268.311 23520.25       1544.172 791.5381 27.36258 887.7983 29.69906 -96.26025      40.38248 
1 1 1 -17 10 4  o 352.4550 12.18122 3657.406       251.4153 3341.043       311.5806 4247.770       425.6343 336.3701 15.83886 378.7867 19.22266 -42.41653      24.90744 
1 1 1 -17 10 5  o 514.1317 19.02590 7816.758       572.6908 7816.758       572.6908 0.000000       0.000000 514.1317 19.02590 ?        ?        0.000000       19.02590 
1 1 1 -17 10 6  f 91.31883 23.40923 256.6094       125.9449 283.9973       155.1174 203.6255       215.7514 96.25824 26.59529 89.51178 32.21145 6.746460       41.77184 
1 1 1 -17 10 7  o 660.6071 13.59823 12846.87       526.8369 13213.50       899.0118 12655.10       650.1765 667.1744 23.01050 654.7403 16.94638 12.43408       28.57731 
1 1 1 -17 10 8  o 429.0195 10.78237 5414.487       271.0800 5678.116       430.0508 5240.679       349.1877 438.3713 16.75821 421.5880 14.14280 16.78336       21.92844 
1 1 1 -17 10 9  o 500.5409 10.15630 7364.353       298.1437 7219.257       416.3506 7517.062       427.1339 494.7917 14.36303 504.8873 14.43994 -10.09561      20.36685 
1 1 1 -17 10 10 o 505.4447 10.10868 7510.253       299.6531 7609.090       425.9154 7413.380       421.6635 507.9242 14.31222 501.3355 14.35603 6.588684       20.27154 
1 1 1 -17 10 11 o 184.5924 23.12999 1028.253       244.9210 1493.114       386.1346 715.3344       316.8055 221.0206 30.60965 150.7108 36.28086 70.30983       47.46843 
1 1 1 -17 10 12 o 131.2521 13.29047 512.7820       100.8966 551.9740       127.2210 446.3415       165.6445 135.7405 16.30693 120.3019 24.31493 15.43862       29.27681 
1 1 1 -17 10 13 o 424.6678 11.15052 5311.795       277.4720 4813.582       517.3829 5512.943       328.7474 401.6433 22.04907 432.3023 12.98125 -30.65903      25.58661 
1 1 1 -17 10 14 o 258.4919 10.91145 1970.415       165.0448 2103.466       214.0610 1775.377       259.1729 266.6642 13.73371 244.0803 18.23716 22.58394       22.83000 
1 1 1 -17 10 15 o 309.5711 8.449186 2819.346       153.2567 2805.191       212.7246 2834.621       220.9869 308.3214 11.78593 309.8703 12.18382 -1.548920      16.95151 
1 1 1 -17 10 16 o 307.1422 8.559321 2776.030       154.0301 2749.080       216.0660 2803.880       219.6410 305.1129 12.09865 308.1295 12.17828 -3.016510      17.16647 
1 1 1 -17 10 17 o 505.2276 11.00673 7521.315       326.1338 7336.958       536.4462 7629.406       410.7617 496.5058 18.45473 507.9621 13.80101 -11.45624      23.04441 
1 1 1 -17 10 18 o 392.9889 9.594230 4546.542       221.1266 4465.568       356.7466 4597.063       281.7881 387.8931 15.71438 394.5079 12.19377 -6.614807      19.89045 
1 1 1 -17 10 19 o 568.9883 10.48558 9541.516       349.9020 9549.876       501.1337 9533.563       488.7702 567.5255 15.06962 567.1889 14.70595 0.3365479      21.05607 
1 1 1 -17 10 20 o 77.92965 19.42803 188.3701       88.48032 120.3786       117.7795 276.4500       134.0544 67.34750 23.84751 94.01031 24.17827 -26.66282      33.96016 
1 1 1 -17 10 21 o 109.0583 15.00055 359.1015       93.40469 356.6402       124.6012 362.2589       141.1249 107.4510 20.52062 107.7696 23.02738 -0.3185806     30.84406 
1 1 1 -17 10 22 o 38.39190 17.48512 -53.13682      86.65604 -92.48420      115.8804 -3.217926      130.5223 42.56293 19.68897 53.75230 23.07231 -11.18936      30.33129 
1 1 1 -17 10 23 o 190.3322 9.898222 1070.544       110.1096 1051.772       152.1693 1091.177       159.5282 187.9467 13.90361 191.3672 14.31790 -3.420410      19.95777 
1 1 1 -17 10 24 o 174.1545 11.10791 898.6223       112.8621 1138.838       159.4080 657.1785       159.8150 195.5983 13.98850 147.2017 18.95126 48.39656       23.55480 
1 1 1 -17 10 25 o 145.1159 12.47281 626.9517       105.1236 605.3792       142.5275 652.6879       155.6755 141.5335 17.54624 146.8068 18.49032 -5.273254      25.49044 
1 1 1 -17 10 26 o 427.7181 10.22956 5394.563       256.6049 5933.743       445.1064 5126.158       314.0453 446.0777 17.04522 416.0704 12.88542 30.00732       21.36758 
1 1 1 -17 10 27 o 240.9012 9.092051 1712.169       128.2246 1583.083       181.4389 1840.965       181.2351 230.7809 13.46389 249.1622 12.44187 -18.38130      18.33239 
1 1 1 -17 10 28 o 432.2841 9.172976 5508.600       232.5573 5690.763       346.2945 5358.959       313.8633 437.8365 13.50213 425.2046 12.60003 12.63190       18.46803 
1 1 1 -17 10 29 o 200.3994 12.38036 1194.465       144.7954 1290.020       181.8692 1029.043       239.2927 207.6122 15.03868 182.8234 22.81261 24.78883       27.32356 
1 1 1 -17 10 30 o 176.1092 14.82653 931.2149       151.7133 0.000000       0.000000 931.2149       151.7133 ?        ?        176.1092 14.82653 0.000000       14.82653 
1 1 1 -17 10 31 o 184.9908 11.90443 1019.611       128.4688 0.000000       0.000000 1019.611       128.4688 ?        ?        184.9908 11.90443 0.000000       11.90443 
1 1 1 -17 10 32 o 178.8489 10.55791 950.7234       110.2500 1138.002       444.1268 938.4249       113.8125 179.6097 42.77734 177.5871 10.98140 2.022659       44.16438 
1 1 1 -17 10 33 o 275.9779 8.332891 2251.204       134.7171 2486.738       495.2745 2232.385       139.9955 276.7252 31.05243 274.7232 8.699936 2.001923       32.24814 
1 1 1 -17 10 34 o 43.57033 19.36151 -28.57337      99.11815 342.2571       435.0625 -48.87479      101.7952 109.6166 44.12120 42.25611 19.12858 67.36046       48.08932 
1 1 1 -17 10 35 o 90.54120 18.55501 260.0775       95.21384 232.3769       422.7473 261.5578       97.72473 99.81792 42.13370 90.66636 18.98791 9.151566       46.21460 
1 1 1 -17 10 36 o 153.8057 11.23285 711.8513       100.6255 344.5233       417.2674 734.5323       103.6856 103.9414 42.69477 156.1906 11.39758 -52.24917      44.18991 
1 1 1 -17 10 37 o 136.3245 12.48194 565.4444       98.68816 977.2679       407.1901 539.7441       101.7209 153.2727 43.36301 132.8717 13.22909 20.40102       45.33608 
1 1 1 -17 10 38 o 170.7816 10.77763 879.5548       107.3975 521.8137       379.6302 910.6766       111.9716 111.8863 42.28312 173.6657 11.05102 -61.77938      43.70340 
1 1 1 -17 10 39 o 177.4970 10.51828 950.6712       109.0021 1102.177       411.5010 939.2384       113.0400 159.0449 43.06608 176.1943 10.99410 -17.14940      44.44724 
1 1 1 -17 10 40 o 60.83094 21.53954 114.1835       96.08479 -146.3134      366.8631 133.3687       99.56018 70.32613 33.31776 64.38293 21.97631 5.943192       39.91280 
1 1 1 -17 10 41 o 74.69465 21.27192 190.5339       97.66372 475.3180       343.9892 165.5655       101.8551 102.7029 39.88343 69.89797 22.15207 32.80493       45.62239 
1 1 1 -17 10 42 o 132.0306 13.71132 545.3558       104.6264 685.5114       386.0700 534.2465       108.6939 115.2119 42.82536 130.2081 14.47820 -14.99625      45.20652 
1 1 1 -17 10 43 o 139.9072 13.48084 613.2991       109.2455 911.0710       376.7312 585.9606       114.1503 133.2075 42.64671 136.0363 14.53259 -2.828842      45.05484 
1 1 1 -17 10 44 o 43.17528 19.55704 -28.15424      106.6083 44.78613       396.5327 -33.83722      110.6835 74.92896 35.23540 43.47382 19.78464 31.45515       40.40997 
1 1 1 -17 10 45 o 48.55901 20.64342 33.29296       102.6965 -88.72007      405.5186 41.65443       106.1571 69.81879 33.60167 50.07619 21.12430 19.74260       39.69015 
1 1 1 -17 10 46 o 73.94823 22.34518 198.6000       105.0728 275.2697       160.4776 141.0678       139.0138 82.97053 27.90438 65.15177 25.33925 17.81876       37.69260 
1 1 1 -17 10 47 o 47.82431 21.72198 -19.23346      132.6119 -294.0070      227.5725 122.0436       163.1804 47.52249 23.37049 63.91339 26.51897 -16.39090      35.34735 
1 1 1 -17 11 1  o 713.9710 17.53790 15040.16       734.3592 13702.04       952.7877 16998.33       1152.587 679.2639 23.95452 755.8124 26.04104 -76.54852      35.38297 
1 1 1 -17 11 2  o 797.3182 19.68829 18787.41       920.6406 0.000000       0.000000 18787.41       920.6406 ?        ?        797.3182 19.68829 0.000000       19.68829 
1 1 1 -17 11 3  o 588.4646 16.15207 10216.24       556.9139 0.000000       0.000000 10216.24       556.9139 ?        ?        588.4646 16.15207 0.000000       16.15207 
1 1 1 -17 11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 5  o 755.6949 15.07996 16827.46       668.3397 16221.06       1099.036 17183.29       841.8977 738.2553 25.42161 762.6149 18.82364 -24.35956      31.63207 
1 1 1 -17 11 6  o 397.7974 10.72073 4655.382       249.8853 4891.823       386.8575 4486.100       327.3358 406.9378 16.24224 389.9911 14.33600 16.94678       21.66405 
1 1 1 -17 11 7  o 172.5171 12.86634 880.8465       129.2406 813.3134       162.1988 998.2830       213.8901 165.1432 16.98905 182.5562 20.32168 -17.41292      26.48771 
1 1 1 -17 11 8  o 509.5621 11.46150 7637.917       342.5224 7902.438       567.0521 7485.958       429.7897 516.6285 18.74627 503.7772 14.56206 12.85129       23.73765 
1 1 1 -17 11 9  o 424.1980 10.53510 5291.390       262.0945 5577.860       420.3861 5109.232       335.2219 434.3373 16.53348 416.2008 13.75231 18.13654       21.50540 
1 1 1 -17 11 10 o 188.3404 10.91233 1046.946       120.0184 1051.546       151.8504 1039.290       195.9080 188.3861 13.84072 186.5887 18.13094 1.797424       22.81001 
1 1 1 -17 11 11 o 449.1074 11.58840 5941.005       304.9728 5396.651       570.1188 6159.210       360.9584 425.2354 22.94547 456.9280 13.48448 -31.69254      26.61439 
1 1 1 -17 11 12 o 122.9397 13.74594 451.2002       97.41560 387.1233       120.1945 573.8729       166.3058 112.8266 18.82749 137.3974 21.32983 -24.57078      28.45059 
1 1 1 -17 11 13 o 216.6711 9.251226 1382.972       117.2870 1424.793       157.0818 1330.282       176.3176 219.5559 12.24771 211.8190 14.27658 7.736908       18.81030 
1 1 1 -17 11 14 o 281.1087 10.59811 2329.568       174.4113 2484.221       230.5549 2122.653       266.6794 289.8152 13.60242 267.1568 17.11046 22.65833       21.85849 
1 1 1 -17 11 15 o 443.4735 13.88763 5813.937       360.7537 6116.981       551.5377 5587.341       476.9231 452.6401 20.83233 433.2779 18.81341 19.36215       28.07010 
1 1 1 -17 11 16 o 218.9200 11.40369 1416.348       145.9088 1507.951       185.8105 1269.011       235.6519 225.4518 14.12386 205.5406 19.79340 19.91127       24.31588 
1 1 1 -17 11 17 o 384.0418 11.35193 4352.021       255.4006 4387.445       350.1862 4311.766       373.3030 384.5553 15.55921 380.8666 16.75336 3.688690       22.86403 
1 1 1 -17 11 18 o 83.23617 17.77393 213.6877       84.12619 175.9326       105.3567 280.1087       139.7423 75.89761 22.24060 94.71051 24.85150 -18.81290      33.35028 
1 1 1 -17 11 19 o 137.2950 11.79197 560.4373       94.03047 661.0168       121.7785 411.9308       147.9750 148.7820 14.12550 115.2256 22.70505 33.55639       26.74040 
1 1 1 -17 11 20 o 206.9884 9.312597 1264.289       112.7597 1316.732       155.7063 1206.455       163.5124 210.6951 12.65928 201.4000 13.92914 9.295090       18.82228 
1 1 1 -17 11 21 o 492.3524 9.677614 7142.686       279.4441 7333.203       409.2441 6976.258       382.4975 497.3658 14.04401 485.3180 13.45150 12.04788       19.44677 
1 1 1 -17 11 22 o 301.2008 8.587485 2672.672       151.5406 2749.087       219.4059 2602.965       209.5550 304.7443 12.30143 296.5730 12.07327 8.171265       17.23627 
1 1 1 -17 11 23 o 176.9876 10.71827 927.3497       110.7331 990.4120       150.3939 852.6857       163.6445 182.2986 14.17824 168.5012 16.78243 13.79741       21.96981 
1 1 1 -17 11 24 o 339.2946 9.054349 3392.436       180.0099 3341.602       261.9639 3437.912       247.7733 335.7803 13.32906 340.8296 12.41633 -5.049255      18.21617 
1 1 1 -17 11 25 o 296.0966 8.996670 2584.155       156.0492 2638.374       227.3648 2535.869       214.5650 298.3577 13.02516 292.6096 12.53218 5.748077       18.07513 
1 1 1 -17 11 26 o 300.9309 8.940910 2669.511       157.6221 2789.658       235.3047 2571.718       212.2902 306.7211 13.11111 294.6698 12.31124 12.05133       17.98521 
1 1 1 -17 11 27 o 229.7327 9.235329 1557.973       124.1766 1628.925       181.0620 1494.964       170.6266 234.1056 13.24156 224.2909 13.02740 9.814682       18.57558 
1 1 1 -17 11 28 o 287.1213 11.32842 2441.308       190.3846 2535.056       244.6575 2297.392       303.1332 291.7380 14.34327 276.1353 18.83075 15.60266       23.67122 
1 1 1 -17 11 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 30 o 125.8621 13.22840 476.0357       96.18771 1505.262       453.0703 427.4567       98.43155 212.4822 37.73990 118.9198 14.40674 93.56240       40.39622 
1 1 1 -17 11 31 o 273.4671 13.84634 2235.182       221.3477 2953.968       511.5802 2069.627       245.5191 305.3409 28.91230 262.2699 16.03865 43.07095       33.06296 
1 1 1 -17 11 32 o 226.7308 9.065714 1521.532       120.3058 904.3242       469.8526 1564.837       124.4547 156.8364 47.22136 229.8963 9.249457 -73.05995      48.11870 
1 1 1 -17 11 33 o 312.7368 8.167063 2890.429       149.6662 3186.190       521.9144 2863.928       156.2275 315.1971 28.54269 311.1773 8.568656 4.019806       29.80112 
1 1 1 -17 11 34 o 49.61858 20.32714 32.62550       94.26443 -313.0407      429.9755 50.07796       96.61480 76.69405 36.25582 52.50653 20.90742 24.18751       41.85217 
1 1 1 -17 11 35 o 210.6726 9.054923 1319.881       111.6165 985.0947       439.5824 1342.953       115.3985 156.9108 45.27095 212.4334 9.284893 -55.52254      46.21328 
1 1 1 -17 11 36 o 177.9873 10.39191 949.7521       108.0045 448.9110       414.0191 986.3244       111.8783 109.9189 43.43616 181.3261 10.56625 -71.40721      44.70286 
1 1 1 -17 11 37 o 110.9526 21.52926 404.3509       135.0386 0.000000       0.000000 404.3509       135.0386 ?        ?        110.9526 21.52926 0.000000       21.52926 
1 1 1 -17 11 38 o 83.21972 20.48461 229.5020       99.29435 -196.7890      406.9377 256.4893       102.3891 73.79308 34.99834 88.14742 20.23456 -14.35435      40.42673 
1 1 1 -17 11 39 o 204.1033 9.585364 1251.227       114.4180 1605.886       410.8269 1221.404       119.1315 204.1973 35.59859 201.3786 10.11945 2.818771       37.00896 
1 1 1 -17 11 40 o 111.7851 15.90841 397.5425       101.3541 92.39193       374.3999 421.6737       105.2854 80.37950 36.50470 115.1113 16.02975 -34.73184      39.86911 
1 1 1 -17 11 41 o 69.29908 22.19169 162.9934       102.0051 -53.88847      365.0425 181.3625       106.2370 72.46541 33.99164 72.60318 22.56950 -0.1377716     40.80213 
1 1 1 -17 11 42 o 128.0646 14.07522 515.9740       103.9740 903.2212       370.3312 482.8368       108.3313 135.3336 42.14939 123.0781 15.34006 12.25550       44.85408 
1 1 1 -17 11 43 o 93.57132 20.19707 300.4721       107.5831 589.2413       375.3269 274.6225       112.2952 105.1082 41.41198 88.31760 21.81116 16.79058       46.80468 
1 1 1 -17 11 44 o 66.60899 22.58986 154.1061       105.1743 540.6865       377.8834 121.6452       109.5010 99.83667 40.77570 61.50365 22.81767 38.33302       46.72583 
1 1 1 -17 11 45 o 60.71380 22.59775 119.7643       107.5642 148.6971       433.1681 117.8629       111.0423 78.43191 36.86528 60.63808 22.87873 17.79383       43.38761 
1 1 1 -17 11 46 o 59.62148 24.94501 88.37898       146.1445 402.1996       456.2536 52.49932       154.2729 87.70389 40.01194 57.00246 24.77580 30.70143       47.06161 
1 1 1 -17 12 1  o 602.6152 12.94085 10687.93       457.3548 10504.68       738.1857 10802.10       582.6588 595.2354 21.17967 604.9270 16.43855 -9.691650      26.81053 
1 1 1 -17 12 2  o 421.4938 14.52327 5239.947       358.4734 0.000000       0.000000 5239.947       358.4734 ?        ?        421.4938 14.52327 0.000000       14.52327 
1 1 1 -17 12 3  o 1051.609 35.94519 33399.21       2213.638 0.000000       0.000000 33399.21       2213.638 ?        ?        1051.609 35.94519 0.000000       35.94519 
1 1 1 -17 12 4  o 181.4750 12.82950 974.1204       135.6652 770.0825       168.4224 1351.122       228.9370 160.4428 18.22137 213.0422 18.50656 -52.59941      25.97135 
1 1 1 -17 12 5  o 251.7871 10.79046 1867.471       158.9702 1927.256       212.8658 1792.080       239.0392 255.3674 14.26989 245.8621 16.67649 9.505356       21.94847 
1 1 1 -17 12 6  o 138.9730 14.90586 575.7966       119.5932 709.0638       148.2256 327.2331       202.4325 154.1070 16.66505 103.7333 30.94078 50.37366       35.14336 
1 1 1 -17 12 7  o 632.5280 13.13432 11782.93       487.2344 12102.89       825.4716 11611.86       603.5950 638.1853 22.08818 626.9475 16.43003 11.23779       27.52878 
1 1 1 -17 12 8  o 111.9578 16.85807 378.3728       107.2604 487.4872       132.1699 167.8894       183.5694 127.1232 18.25053 81.83025 29.67636 45.29299       34.83918 
1 1 1 -17 12 9  o 175.2010 11.49014 907.2189       117.4110 924.2349       148.1148 878.4466       192.6008 176.4478 14.43920 171.1066 19.54297 5.341202       24.29853 
1 1 1 -17 12 10 o 536.1873 11.63083 8463.733       365.7444 8604.836       607.9237 8383.687       457.8812 538.4603 19.28175 532.8313 14.66648 5.629028       24.22585 
1 1 1 -17 12 11 o 441.9929 9.611391 5744.993       249.1449 5926.563       359.5247 5577.236       345.5774 448.0605 13.69783 434.6692 13.57277 13.39133       19.28343 
1 1 1 -17 12 12 f 144.1748 12.02885 616.6285       100.7842 628.3723       125.2809 595.0880       169.6706 145.1053 14.93448 139.8854 21.35754 5.219894       26.06114 
1 1 1 -17 12 13 o 276.0795 8.667008 2243.128       140.1573 2248.815       191.1204 2236.510       206.1572 276.0018 11.83464 275.0861 12.81369 0.9156494      17.44274 
1 1 1 -17 12 14 o 511.9267 9.892029 7712.771       296.9913 7669.102       420.3641 7756.293       419.6551 509.3392 14.08592 512.2589 13.98166 -2.919678      19.84691 
1 1 1 -17 12 15 o 390.5352 11.55874 4499.739       264.4497 4615.035       364.0216 4370.892       384.8213 394.4869 15.76593 383.4978 17.15324 10.98904       23.29803 
1 1 1 -17 12 16 o 445.4763 9.220044 5839.876       240.8841 5974.947       346.8454 5714.026       334.7971 449.5870 13.16861 439.6981 12.99732 9.888916       18.50250 
1 1 1 -17 12 17 o 343.8605 10.79758 3488.589       217.4808 3517.430       294.7969 3454.149       322.1484 344.4044 14.62830 340.8683 16.16059 3.536133       21.79798 
1 1 1 -17 12 18 o 307.8976 8.360375 2791.161       150.8275 2855.965       213.8403 2727.005       212.7684 310.8477 11.75097 303.6934 11.96941 7.154358       16.77356 
1 1 1 -17 12 19 o 470.0304 9.517953 6507.370       262.3735 6804.526       388.9984 6259.356       355.3807 479.2593 13.85424 459.8633 13.19057 19.39597       19.12932 
1 1 1 -17 12 20 o 102.2943 15.64421 317.5368       90.87685 381.6157       117.9784 224.0432       142.5069 111.6604 18.67474 85.57200 26.05747 26.08836       32.05835 
1 1 1 -17 12 21 o 201.6971 9.516426 1201.171       112.2529 1086.288       152.3869 1337.467       165.9823 191.0681 13.68979 212.1675 13.40785 -21.09944      19.16196 
1 1 1 -17 12 22 o 364.2872 8.813512 3907.097       188.2970 3970.953       277.2327 3852.413       256.5525 366.1850 12.92931 360.8812 12.13892 5.303802       17.73472 
1 1 1 -17 12 23 o 39.40533 17.99628 -59.62508      92.61252 -84.84858      118.4130 -19.88928      148.6236 43.76171 20.12073 55.75868 24.27558 -11.99697      31.53010 
1 1 1 -17 12 24 o 449.9989 9.485066 5965.626       250.3239 6106.162       368.9803 5845.788       340.7281 453.8677 13.87823 444.3409 13.08925 9.526794       19.07704 
1 1 1 -17 12 25 o 207.5237 10.23439 1272.965       124.1761 1341.959       176.7239 1205.680       174.5200 212.3063 14.27624 201.0478 14.90721 11.25856       20.64064 
1 1 1 -17 12 26 o 62.77848 21.80799 107.7307       98.18459 97.33607       130.2562 121.4080       149.4151 65.47784 24.76257 71.19640 26.60696 -5.718559      36.34715 
1 1 1 -17 12 27 o 354.5847 10.93547 3717.913       227.1374 4000.266       524.4221 3652.715       252.0006 361.6579 24.87631 351.0834 12.25766 10.57443       27.73231 
1 1 1 -17 12 28 o 248.8833 8.408297 1827.268       122.5548 2711.857       473.8599 1763.856       126.8714 295.3494 27.67918 244.4403 8.864623 50.90907       29.06404 
1 1 1 -17 12 29 o 259.4081 8.241039 1985.621       125.2174 3175.146       481.4845 1899.333       129.6796 319.9818 25.87764 253.6060 8.731919 66.37578       27.31115 
1 1 1 -17 12 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 31 o 258.0556 8.195291 1966.554       123.8731 2154.285       483.0249 1953.338       128.1592 257.4100 32.73531 257.1154 8.510796 0.2946167      33.82357 
1 1 1 -17 12 32 o 113.2338 16.40035 393.3179       105.7457 532.7617       488.7450 386.4696       108.3113 126.5224 47.93966 112.0417 17.01774 14.48077       50.87057 
1 1 1 -17 12 33 o 46.32707 19.92748 -0.4310319     97.75733 -213.2581      479.1875 8.811187       99.85738 85.47878 39.71256 47.87676 20.35483 37.60202       44.62518 
1 1 1 -17 12 34 o 68.07330 21.38949 144.3904       95.15215 170.3432       450.3739 143.1779       97.34963 98.49210 42.57175 67.95856 21.67054 30.53354       47.76993 
1 1 1 -17 12 35 o 52.41235 20.58990 57.16197       92.54581 73.74921       440.8767 56.39739       94.65471 90.84892 40.57247 52.65973 20.78145 38.18919       45.58502 
1 1 1 -17 12 36 o 133.2935 16.42863 554.0146       125.7139 348.8287       476.3196 569.3775       130.3353 104.1566 44.37486 134.9578 16.83182 -30.80120      47.45986 
1 1 1 -17 12 37 o 73.56945 20.92237 178.3569       94.54569 -24.83875      389.4796 191.0803       97.46083 79.64948 36.57336 76.00256 21.11233 3.646919       42.22962 
1 1 1 -17 12 38 o 40.17219 18.21126 -38.89169      92.66377 417.5781       386.4188 -66.74242      95.44878 102.8996 41.52360 38.36345 17.78907 64.53615       45.17366 
1 1 1 -17 12 39 o 81.76292 20.67115 224.7875       99.16123 75.21689       357.0535 237.2879       103.2218 79.58085 35.94401 83.87474 21.02639 -4.293892      41.64230 
1 1 1 -17 12 40 o 70.16336 21.43971 166.4070       96.36352 133.7563       341.9306 169.2240       100.4345 80.35173 35.81778 70.66356 21.94093 9.688171       42.00378 
1 1 1 -17 12 41 o 100.4894 17.42351 329.6806       98.96487 137.4721       367.4451 344.7139       102.7622 80.58958 36.42542 102.6348 17.71202 -22.04522      40.50342 
1 1 1 -17 12 42 o 45.85419 21.29962 -72.24179      137.7519 0.000000       0.000000 -72.24179      137.7519 ?        ?        45.85419 21.29962 0.000000       21.29962 
1 1 1 -17 12 43 o 104.6683 17.82682 363.5909       105.5123 918.0098       366.0993 313.3673       110.1878 133.6389 41.95070 95.38292 20.32007 38.25594       46.61295 
1 1 1 -17 12 44 o 57.99278 22.04636 101.8662       103.5702 383.6953       381.6957 79.46693       107.6073 89.51691 38.93883 55.19035 22.03536 34.32656       44.74136 
1 1 1 -17 12 45 o 73.21375 24.06260 197.6384       119.4855 235.9915       418.4638 194.2339       124.6760 81.13298 37.49000 72.52812 24.59520 8.604858       44.83775 
1 1 1 -17 12 46 o 62.19281 23.75031 127.0718       120.5431 20.09736       455.2610 135.1369       125.0046 73.94852 35.59268 63.52846 24.20387 10.42006       43.04261 
1 1 1 -17 13 1  o 716.5329 14.54830 15132.61       611.3629 13002.61       912.7533 16865.73       823.3390 661.0532 23.58103 755.2355 18.58856 -94.18237      30.02665 
1 1 1 -17 13 2  o 700.4916 17.89921 14510.39       734.7363 0.000000       0.000000 14510.39       734.7363 ?        ?        700.4916 17.89921 0.000000       17.89921 
1 1 1 -17 13 3  o 935.0189 32.53106 26335.09       1781.177 0.000000       0.000000 26335.09       1781.177 ?        ?        935.0189 32.53106 0.000000       32.53106 
1 1 1 -17 13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 13 5  o 291.8622 11.19342 2509.624       191.2430 2338.454       235.6544 2839.825       327.3044 281.2899 14.33193 309.3733 18.11856 -28.08347      23.10165 
1 1 1 -17 13 6  o 430.6140 10.73775 5454.171       271.1764 5566.253       423.0255 5375.984       353.3209 433.7702 16.65959 426.8079 14.13468 6.962341       21.84791 
1 1 1 -17 13 7  o 255.4165 10.14133 1921.449       151.6108 2006.832       207.7264 1824.119       221.7834 260.5840 13.63980 248.1453 15.31417 12.43861       20.50776 
1 1 1 -17 13 8  o 64.17058 21.22815 116.5992       92.94163 83.96825       111.1385 192.5011       169.5026 61.21019 22.93247 83.48965 28.66972 -22.27946      36.71309 
1 1 1 -17 13 9  o 475.3690 10.93563 6650.434       304.8774 7259.272       516.2541 6324.385       377.7930 494.8684 17.81692 462.8444 13.93359 32.02402       22.61830 
1 1 1 -17 13 10 o 507.4281 13.88994 7602.438       412.9682 7281.196       530.2194 8097.830       658.4375 495.3393 18.28303 521.2144 21.58682 -25.87503      28.28887 
1 1 1 -17 13 11 o 380.0261 9.887494 4251.730       220.1817 4301.990       339.0550 4215.078       289.5418 381.2475 15.19439 377.8230 13.08665 3.424561       20.05318 
1 1 1 -17 13 12 o 102.2873 15.27654 315.9710       88.83844 345.7438       108.7008 256.0834       154.1670 106.5530 18.03759 91.45456 26.93186 15.09849       32.41419 
1 1 1 -17 13 13 o 314.9140 9.478632 2920.459       174.8612 3162.793       267.8222 2740.402       230.8570 326.9265 14.00080 304.4754 12.95790 22.45108       19.07693 
1 1 1 -17 13 14 o 402.1149 8.952412 4756.549       211.1255 4732.593       294.6889 4781.812       302.6221 400.2957 12.56814 402.3105 12.84238 -2.014832      17.96899 
1 1 1 -17 13 15 o 335.3699 10.84159 3317.678       212.9593 3414.113       288.2834 3201.842       315.9550 339.4283 14.51526 328.1918 16.46785 11.23648       21.95183 
1 1 1 -17 13 16 o 162.8089 12.13813 786.5978       115.0652 832.6172       140.9516 694.6611       199.2251 167.1141 14.52573 150.4729 23.33023 16.64120       27.48266 
1 1 1 -17 13 17 o 391.1528 9.614314 4506.099       220.5542 4197.073       339.7510 4731.179       289.9554 375.9105 15.44371 400.0471 12.37349 -24.13666      19.78917 
1 1 1 -17 13 18 o 312.5809 9.069639 2879.064       166.0900 2842.622       253.9456 2906.306       219.5617 309.5551 14.02431 313.4987 11.96377 -3.943634      18.43402 
1 1 1 -17 13 19 o 327.7483 8.578578 3163.840       164.7528 3297.291       237.3796 3039.811       228.8459 333.8636 12.14361 320.5336 12.19585 13.33005       17.21063 
1 1 1 -17 13 20 o 56.13879 19.86978 82.65699       81.75794 63.04079       104.5088 113.5985       131.2551 56.68948 21.99212 67.96820 25.02353 -11.27872      33.31412 
1 1 1 -17 13 21 o 235.0682 9.141863 1629.788       125.7912 1642.516       176.0272 1616.504       179.8249 235.3347 12.80212 233.3772 13.19207 1.957565       18.38273 
1 1 1 -17 13 22 o 191.5177 10.46726 1084.814       117.1220 1135.608       161.7287 1028.798       169.8398 195.2743 14.21929 185.4804 15.76232 9.793839       21.22825 
1 1 1 -17 13 23 o 146.0076 13.19982 635.7271       111.8105 654.8477       146.2504 608.8315       173.4552 147.3570 17.24897 140.8837 21.68772 6.473282       27.71073 
1 1 1 -17 13 24 o 192.5957 10.84988 1097.864       122.0569 1166.511       168.2971 1021.691       177.2821 197.8192 14.60942 184.6234 16.54832 13.19589       22.07446 
1 1 1 -17 13 25 o 125.8907 14.36682 475.9202       104.1764 575.1797       137.9477 344.1776       158.9247 137.8540 17.45314 104.3997 26.04366 33.45429       31.35098 
1 1 1 -17 13 26 o 370.8393 8.134542 4048.797       176.9169 3604.378       509.1973 4109.812       188.6709 343.0873 25.48851 373.5331 8.612422 -30.44574      26.90424 
1 1 1 -17 13 27 o 296.1486 8.161452 2584.972       141.6163 2632.630       474.0157 2580.302       148.3937 291.0443 28.12027 295.8049 8.562819 -4.760651      29.39510 
1 1 1 -17 13 28 o 70.24411 23.71658 142.6390       115.9218 1338.660       437.4861 52.32491       120.2189 200.4401 38.61644 57.70386 23.20458 142.7363       45.05199 
1 1 1 -17 13 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 13 30 o 295.6752 8.623108 2582.409       149.3706 0.000000       0.000000 2582.409       149.3706 ?        ?        295.6752 8.623108 0.000000       8.623108 
1 1 1 -17 13 31 o 271.9124 10.14728 2192.037       161.5350 0.000000       0.000000 2192.037       161.5350 ?        ?        271.9124 10.14728 0.000000       10.14728 
1 1 1 -17 13 32 o 298.3327 10.94405 2646.437       191.1582 4067.930       587.1860 2477.924       202.1715 356.7835 28.29363 288.2679 11.98454 68.51563       30.72717 
1 1 1 -17 13 33 o 39.62400 18.05585 -52.02050      92.56110 571.8831       494.6874 -74.65600      94.22521 126.2556 48.13780 38.05908 17.65717 88.19656       51.27400 
1 1 1 -17 13 34 o 90.94537 18.95190 263.6124       97.80093 0.000000       0.000000 263.6124       97.80093 ?        ?        90.94537 18.95190 0.000000       18.95190 
1 1 1 -17 13 35 o 36.38683 17.11233 -89.53287      93.56097 306.5035       432.8509 -108.9430      95.82631 101.6425 42.75383 35.54607 16.89464 66.09639       45.97084 
1 1 1 -17 13 36 o 33.87128 16.16098 -107.5752      89.43065 -624.1112      433.5928 -84.62490      91.39581 65.05184 32.04315 36.08474 16.95234 28.96710       36.25114 
1 1 1 -17 13 37 o 286.5493 8.299206 2445.343       139.3249 2181.498       460.0772 2471.982       146.1892 245.1668 32.82146 287.9068 8.667775 -42.74002      33.94670 
1 1 1 -17 13 38 o 53.24329 20.77411 67.02031       93.67425 -342.5983      428.7913 87.54923       95.99290 70.17963 33.96605 56.74841 21.30187 13.43122       40.09317 
1 1 1 -17 13 39 o 116.5803 15.66718 430.3512       104.4098 483.4127       408.9883 426.6520       107.9880 103.6494 42.38720 115.6911 16.37264 -12.04170      45.43939 
1 1 1 -17 13 40 o 106.8998 16.77734 368.2853       101.7246 503.3753       341.3444 355.1185       106.5667 104.9698 39.99533 104.1993 18.09448 0.7705002      43.89803 
1 1 1 -17 13 41 o 62.33436 21.87574 125.5605       98.94110 87.08482       346.3258 128.9799       103.2440 76.64125 34.92459 63.13947 22.33033 13.50178       41.45324 
1 1 1 -17 13 42 o 127.2294 14.64855 513.7464       107.3106 979.5827       380.2833 473.4431       111.8565 139.1801 42.60272 121.1224 16.14856 18.05769       45.56060 
1 1 1 -17 13 43 o 210.2968 12.66247 1374.969       155.4480 2318.636       415.9153 1221.747       167.5935 245.5107 29.47440 196.3117 14.66253 49.19896       32.92005 
1 1 1 -17 13 44 o 108.5386 18.51200 396.7779       113.6150 831.8186       406.0706 359.8291       118.3414 117.3513 43.86155 101.7665 20.53700 15.58485       48.43143 
1 1 1 -17 13 45 o 117.2018 18.69143 464.9743       124.1652 -603.3334      465.9523 546.6329       128.8233 60.95541 30.53869 128.1366 17.60743 -67.18121      35.25100 
1 1 1 -17 13 46 o 146.5896 15.74300 700.5036       133.2263 519.1360       417.1923 721.0995       140.5874 92.53416 40.47165 148.0645 16.46824 -55.53039      43.69390 
1 1 1 -17 14 1  o 560.1443 19.94141 9310.691       654.0527 9310.691       654.0527 0.000000       0.000000 560.1443 19.94141 ?        ?        0.000000       19.94141 
1 1 1 -17 14 2  o 819.7829 29.10340 20182.98       1397.023 0.000000       0.000000 20182.98       1397.023 ?        ?        819.7829 29.10340 0.000000       29.10340 
1 1 1 -17 14 3  o 622.9257 13.07541 11432.08       477.6856 11652.56       795.9764 11307.98       597.1772 625.9794 21.71440 618.4725 16.47857 7.506836       27.25909 
1 1 1 -17 14 4  o 372.5931 11.43452 4089.561       249.5681 3770.267       315.4540 4623.770       408.0338 357.1241 15.09548 394.9886 17.65877 -37.86441      23.23157 
1 1 1 -17 14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 14 6  o 269.6734 9.665174 2141.129       152.6144 2068.362       207.1986 2227.424       225.6370 264.5523 13.39804 274.4550 14.06499 -9.902710      19.42502 
1 1 1 -17 14 7  o 184.8696 11.39762 1009.940       122.9740 1066.248       158.3110 924.2699       195.2704 189.5596 14.34667 175.5249 19.28648 14.03471       24.03737 
1 1 1 -17 14 8  o 226.2478 9.976296 1508.676       132.0490 1478.208       173.0842 1551.105       204.2533 223.5103 13.26376 228.6377 15.32091 -5.127457      20.26469 
1 1 1 -17 14 9  o 627.4067 12.94963 11607.32       476.4933 11561.97       793.4998 11632.90       595.8939 622.6795 21.76205 626.9062 16.22112 -4.226685      27.14243 
1 1 1 -17 14 10 o 402.5336 20.94677 4836.313       492.8026 0.000000       0.000000 4836.313       492.8026 ?        ?        402.5336 20.94677 0.000000       20.94677 
1 1 1 -17 14 11 o 296.1854 9.394300 2583.292       162.9780 2633.125       237.3422 2538.829       224.1911 298.3509 13.60006 293.0457 13.07760 5.305176       18.86757 
1 1 1 -17 14 12 o 188.3069 31.09671 1103.080       331.4478 0.000000       0.000000 1103.080       331.4478 ?        ?        188.3069 31.09671 0.000000       31.09671 
1 1 1 -17 14 13 o 467.0620 9.693718 6420.942       265.5311 6376.841       375.3082 6465.141       375.7276 464.3648 13.79622 467.5942 13.71586 -3.229431      19.45406 
1 1 1 -17 14 14 o 356.5290 8.762878 3739.448       183.2281 3654.929       253.4149 3832.037       265.2366 351.7177 12.30430 360.0880 12.57887 -8.370392      17.59613 
1 1 1 -17 14 15 o 343.9921 10.83177 3491.427       218.2513 3658.367       299.5995 3302.663       318.5822 351.2593 14.57496 333.2357 16.35112 18.02362       21.90407 
1 1 1 -17 14 16 o 263.0611 10.27636 2042.391       158.2377 2112.565       205.9087 1941.170       247.2976 266.9984 13.19052 255.1161 16.61888 11.88226       21.21737 
1 1 1 -17 14 17 o 295.2797 10.29012 2573.033       177.9264 2522.702       232.5054 2644.164       276.4011 291.6775 13.62957 298.0513 15.86962 -6.373810      20.91913 
1 1 1 -17 14 18 o 113.4175 13.84446 386.3276       90.18235 351.3343       116.6527 438.3084       142.1754 106.9014 19.31712 119.2697 21.09732 -12.36825      28.60504 
1 1 1 -17 14 19 o 377.3092 8.868182 4191.483       196.2377 4189.721       281.7072 4193.144       273.5180 376.2021 12.78668 376.4603 12.40537 -0.2582092     17.81551 
1 1 1 -17 14 20 o 181.4123 10.16335 973.2074       107.6996 992.2577       145.3564 950.0190       160.3683 182.5732 13.67456 178.2424 15.49493 4.330734       20.66607 
1 1 1 -17 14 21 o 443.5905 9.586261 5797.481       249.3917 5765.237       364.5708 5825.840       341.9054 440.9226 14.11656 443.5604 13.15779 -2.637787      19.29779 
1 1 1 -17 14 22 o 47.40882 20.21215 1.352806       98.94252 78.28467       124.2542 -131.9575      163.5648 62.11798 24.01200 50.26205 23.29969 11.85593       33.45821 
1 1 1 -17 14 23 o 185.9853 12.80142 1027.688       138.7811 1030.960       162.7995 1018.987       265.4660 185.8203 15.06775 181.7394 25.61599 4.080933       29.71895 
1 1 1 -17 14 24 o 40.52744 18.60179 -70.44097      100.6147 -116.0692      130.8217 -4.368926      157.4243 44.31406 20.64251 58.76775 25.28349 -14.45369      32.63998 
1 1 1 -17 14 25 o 315.6714 8.232250 2935.598       152.2767 2119.143       482.6470 3025.854       160.4730 259.3517 32.43893 320.4335 8.546760 -61.08173      33.54596 
1 1 1 -17 14 26 o 100.6557 18.10567 311.9676       102.9524 982.4053       433.8122 271.9543       105.9801 170.0227 43.37248 93.43896 19.94679 76.58373       47.73936 
1 1 1 -17 14 27 o 194.9737 9.848720 1125.119       112.2529 1450.273       486.0011 1106.795       115.3725 207.6166 41.36718 193.3082 10.21281 14.30833       42.60921 
1 1 1 -17 14 28 o 78.32973 22.02735 192.1288       105.3984 -333.6984      415.5740 228.2771       108.9610 76.90979 36.13695 85.07234 21.75567 -8.162552      42.18043 
1 1 1 -17 14 29 o 97.81010 17.71099 296.1528       97.85665 1154.562       437.8341 251.0181       100.3963 182.5157 41.80412 89.42623 19.67768 93.08950       46.20385 
1 1 1 -17 14 30 f 229.1629 11.53541 1562.346       154.5358 0.000000       0.000000 1562.346       154.5358 ?        ?        229.1629 11.53541 0.000000       11.53541 
1 1 1 -17 14 31 o 293.6521 8.400786 2548.506       144.5297 3120.924       559.3713 2507.558       149.6099 310.4323 31.14462 291.1793 8.770909 19.25293       32.35609 
1 1 1 -17 14 32 o 172.8317 10.86521 891.0098       109.5743 1072.903       533.6364 883.0032       111.9600 164.8983 50.46532 171.9703 11.16121 -7.071945      51.68483 
1 1 1 -17 14 33 o 56.35389 23.19727 44.06532       123.5218 0.000000       0.000000 44.06532       123.5218 ?        ?        56.35389 23.19727 0.000000       23.19727 
1 1 1 -17 14 34 o 169.2848 10.66276 858.6918       105.3237 419.7433       473.3404 881.5568       108.0321 111.1717 45.54752 171.4862 10.79650 -60.31450      46.80963 
1 1 1 -17 14 35 o 50.51860 20.37319 45.43553       92.95773 -394.8035      420.5290 68.05199       95.31559 70.24234 33.90853 54.24061 21.01344 16.00173       39.89176 
1 1 1 -17 14 36 o 146.5366 11.36404 649.8379       96.90004 340.6215       436.1840 665.8907       99.38348 100.7725 42.67982 148.2831 11.51832 -47.51057      44.20677 
1 1 1 -17 14 37 o 77.71667 19.92705 199.6309       91.24778 617.3646       434.6422 180.3709       93.32761 116.8654 44.97960 73.77165 20.72133 43.09373       49.52310 
1 1 1 -17 14 38 o 68.17646 21.94491 153.1902       99.65781 321.4227       376.0142 140.4799       103.3539 94.56892 39.81735 66.03922 22.39354 28.52970       45.68251 
1 1 1 -17 14 39 o 69.33324 21.69026 161.8008       97.95458 -166.5331      368.4303 186.7751       101.6117 69.23777 32.97006 73.98217 21.88508 -4.744400      39.57249 
1 1 1 -17 14 40 o 112.0325 15.80531 400.9289       100.9660 408.4454       408.0068 400.4386       104.2071 96.42556 41.07504 111.6207 16.40776 -15.19514      44.23091 
1 1 1 -17 14 41 o 79.33992 21.21116 218.5645       100.5996 415.6786       370.0974 202.8387       104.5355 95.03600 39.72451 76.10413 22.11225 18.93186       45.46414 
1 1 1 -17 14 42 o 147.4352 14.58442 689.1992       124.4570 0.000000       0.000000 689.1992       124.4570 ?        ?        147.4352 14.58442 0.000000       14.58442 
1 1 1 -17 14 43 o 102.9977 19.32380 360.3580       112.4403 465.2276       391.8454 350.9482       117.3766 94.47637 40.24930 100.7145 20.56806 -6.238121      45.20013 
1 1 1 -17 14 44 o 67.03600 23.42247 158.8649       113.3485 261.6217       380.6587 148.8673       118.7345 81.88824 37.03750 65.58868 23.85533 16.29956       44.05511 
1 1 1 -17 14 45 o 46.01070 21.03233 -33.44279      126.8778 -191.9696      387.4586 -14.40202      134.2815 64.98450 31.64383 48.71258 22.01846 16.27192       38.55055 
1 1 1 -17 15 1  o 450.7696 16.96606 6018.111       447.7240 6018.111       447.7240 0.000000       0.000000 450.7696 16.96606 ?        ?        0.000000       16.96606 
1 1 1 -17 15 2  o 669.4278 23.82600 13381.99       933.9255 0.000000       0.000000 13381.99       933.9255 ?        ?        669.4278 23.82600 0.000000       23.82600 
1 1 1 -17 15 3  o 391.6685 10.24455 4515.865       235.1196 4353.066       348.1269 4652.409       318.8211 383.5775 15.50708 396.9456 13.71572 -13.36804      20.70243 
1 1 1 -17 15 4  o 549.1602 11.84391 8881.941       381.4562 8108.210       586.2549 9450.018       502.3364 522.5257 19.16305 565.4682 15.16100 -42.94250      24.43519 
1 1 1 -17 15 5  o 177.1749 11.81157 928.6249       122.0318 843.0519       145.2350 1134.115       225.0600 168.3272 14.86441 194.4404 20.02198 -26.11319      24.93653 
1 1 1 -17 15 6  o 167.1478 11.41151 826.5193       111.1940 749.3966       137.1830 974.2411       189.8592 158.6020 14.92366 180.4178 18.19143 -21.81572      23.52963 
1 1 1 -17 15 7  o 229.0041 9.809980 1545.616       131.4481 1591.404       173.9637 1484.686       200.6764 231.9664 12.83748 223.6039 15.39662 8.362503       20.04637 
1 1 1 -17 15 8  o 47.57855 19.05097 32.95528       80.66856 23.87784       93.47898 59.43365       159.6533 49.17067 20.20382 65.89667 26.65499 -16.72599      33.44671 
1 1 1 -17 15 9  o 426.8524 10.33378 5363.531       258.6946 5404.377       407.5176 5335.960       334.8054 426.9508 16.30485 424.9784 13.45000 1.972473       21.13648 
1 1 1 -17 15 10 o 237.8144 14.76381 1678.245       204.8991 0.000000       0.000000 1678.245       204.8991 ?        ?        237.8144 14.76381 0.000000       14.76381 
1 1 1 -17 15 11 o 207.2114 9.644999 1266.345       116.8889 1213.535       151.6249 1343.705       183.5145 202.3803 12.84095 212.6524 14.80714 -10.27209      19.59953 
1 1 1 -17 15 12 o 251.3331 9.421973 1861.626       138.6349 1927.981       190.9937 1787.732       201.5507 255.2477 12.79955 245.5315 14.05545 9.716202       19.01011 
1 1 1 -17 15 13 o 303.8468 9.198874 2719.509       163.7342 2566.294       231.2401 2873.562       231.8714 294.3993 13.42830 311.7122 12.71027 -17.31293      18.48973 
1 1 1 -17 15 14 o 546.6885 11.66766 8817.850       374.0883 8657.246       609.4882 8914.921       473.8405 538.4954 19.33027 548.4984 14.74349 -10.00305      24.31111 
1 1 1 -17 15 15 o 343.9864 10.74612 3492.094       216.5262 3749.786       301.7667 3218.629       310.8645 355.5441 14.50240 328.8927 16.16587 26.65143       21.71762 
1 1 1 -17 15 16 o 571.0381 14.39855 9664.851       481.8234 9736.684       676.6940 9590.982       686.2079 570.1954 20.26793 565.6424 20.72038 4.553040       28.98488 
1 1 1 -17 15 17 o 374.3379 11.04207 4137.952       242.1530 4370.583       339.0141 3895.628       346.0049 383.5738 15.09968 361.6935 16.35370 21.88034       22.25857 
1 1 1 -17 15 18 o 70.14917 19.74129 151.2597       84.62429 223.9204       105.0681 17.08245       142.7777 84.78232 21.19077 58.19439 24.52090 26.58793       32.40869 
1 1 1 -17 15 19 o 119.5224 13.67461 428.2937       94.13158 427.6881       120.1655 429.2555       151.4388 118.5474 17.83582 117.5564 22.78830 0.9910583      28.93826 
1 1 1 -17 15 20 o 140.5758 12.88112 589.1960       105.0183 632.3472       138.4832 530.7932       161.1080 144.9195 16.59250 131.3575 21.66757 13.56201       27.29093 
1 1 1 -17 15 21 o 259.1620 9.428160 1981.085       143.0620 1932.662       199.4293 2032.422       205.3407 255.2175 13.37043 261.7268 13.42237 -6.509277      18.94541 
1 1 1 -17 15 22 o 310.5287 9.142566 2842.279       166.3211 2578.294       226.3695 3151.965       245.1824 294.9285 13.12016 326.2209 12.84032 -31.29239      18.35790 
1 1 1 -17 15 23 o 236.2033 8.618557 1644.701       119.1907 1118.320       475.1520 1680.047       123.1275 182.4518 44.75086 238.7032 8.810330 -56.25136      45.60988 
1 1 1 -17 15 24 o 150.3367 11.78790 671.9979       103.1021 313.5198       450.5169 691.8104       105.9129 115.2056 45.37679 152.5238 11.93522 -37.31826      46.92018 
1 1 1 -17 15 25 o 151.1558 12.02953 680.1614       105.7618 511.6866       443.9962 690.2960       108.8964 128.7841 46.22542 152.2330 12.30173 -23.44890      47.83432 
1 1 1 -17 15 26 o 172.5397 10.79329 883.1973       108.6708 -121.1279      469.2831 940.1043       111.7071 91.79507 41.35704 178.0405 10.74828 -86.24541      42.73091 
1 1 1 -17 15 27 o 378.2813 8.148031 4217.278       180.7666 3644.687       541.2396 4289.168       191.7789 342.1841 27.19340 381.3893 8.573965 -39.20529      28.51305 
1 1 1 -17 15 28 o 167.0472 15.40459 840.8458       149.2188 1304.520       440.8893 780.8618       158.5773 196.0663 39.70525 160.4199 17.11938 35.64638       43.23864 
1 1 1 -17 15 29 o 498.6998 8.795958 7342.722       257.2603 9279.512       778.6157 7105.373       272.5682 547.9867 24.28751 490.3051 9.478907 57.68158       26.07168 
1 1 1 -17 15 30 o 172.6640 11.41856 888.7974       114.9790 1649.287       469.9337 840.3727       118.5832 220.8013 37.63834 167.6937 12.13965 53.10767       39.54764 
1 1 1 -17 15 31 o 362.2179 8.359627 3876.208       177.5854 4764.321       615.7193 3795.627       185.4670 387.1597 27.29191 358.2799 8.826605 28.87976       28.68375 
1 1 1 -17 15 32 o 78.01112 20.93965 194.5485       97.79922 138.7898       484.5855 196.9161       99.85396 100.1607 43.71661 78.45283 21.20217 21.70791       48.58677 
1 1 1 -17 15 33 o 96.58315 18.18142 294.9506       99.20840 -394.3074      485.0291 325.0462       101.3512 77.83495 37.27251 101.7080 17.62973 -23.87309      41.23164 
1 1 1 -17 15 34 o 115.3540 14.56410 410.1080       96.33757 1252.010       459.4229 371.3862       98.52811 175.7113 44.53267 109.2118 15.84512 66.49947       47.26761 
1 1 1 -17 15 35 o 117.9031 13.83607 427.8494       93.85449 464.2433       438.3951 426.1013       96.08219 109.4054 44.19987 117.5012 14.23256 -8.095795      46.43484 
1 1 1 -17 15 36 f 138.2358 12.61592 583.6644       101.1538 445.9478       463.6793 590.5460       103.6503 106.4597 44.47923 138.9449 12.86581 -32.48522      46.30260 
1 1 1 -17 15 37 o 148.4388 11.93457 671.4276       103.0224 596.3177       424.1085 676.1376       106.2035 114.3395 44.31754 148.7991 12.27912 -34.45960      45.98718 
1 1 1 -17 15 38 o 179.1023 10.55838 971.1123       110.4124 523.6932       388.5779 1010.409       115.1591 107.1033 42.15545 182.5678 10.80363 -75.46449      43.51781 
1 1 1 -17 15 39 o 59.55523 21.70321 107.0740       98.34511 184.3296       384.4852 101.6657       101.7292 84.70135 37.85367 58.99015 21.97238 25.71121       43.76855 
1 1 1 -17 15 40 o 70.68140 21.86546 171.5143       99.84995 -122.6884      389.7458 192.1806       103.2974 71.08164 33.86559 74.45114 22.07656 -3.369499      40.42590 
1 1 1 -17 15 41 o 69.82032 22.34726 169.4739       103.4500 141.8827       414.3517 171.3080       106.8332 80.87473 37.34748 70.11726 22.73417 10.75747       43.72272 
1 1 1 -17 15 42 o 98.09959 25.12352 356.5777       145.1618 0.000000       0.000000 356.5777       145.1618 ?        ?        98.09959 25.12352 0.000000       25.12352 
1 1 1 -17 15 43 o 118.5914 16.89094 462.0984       114.1612 560.2341       383.0125 452.5300       119.5973 100.0207 40.97451 116.4516 18.09913 -16.43086      44.79385 
1 1 1 -17 15 44 o 55.06744 22.92572 67.63956       122.5419 -167.3310      387.7584 93.71049       129.1614 65.93237 32.00216 58.77574 23.90141 7.156631       39.94265 
1 1 1 -17 15 45 o 57.08643 23.84850 77.67222       133.2784 -368.3216      392.2085 135.8965       141.7113 60.50211 29.92696 64.40150 25.42381 -3.899391      39.26822 
1 1 1 -17 16 1  o 288.3067 10.80271 2450.284       182.3346 2487.695       228.8501 2385.255       301.7193 290.0794 13.48883 283.0658 18.27223 7.013641       22.71174 
1 1 1 -17 16 2  o 515.6976 13.44694 7850.941       406.3481 7264.963       531.1193 8678.137       631.0374 494.6378 18.34032 540.0612 19.95765 -45.42331      27.10489 
1 1 1 -17 16 3  o 589.7823 15.80475 10293.44       546.1832 0.000000       0.000000 10293.44       546.1832 ?        ?        589.7823 15.80475 0.000000       15.80475 
1 1 1 -17 16 4  f 789.4078 28.30239 18797.51       1308.192 0.000000       0.000000 18797.51       1308.192 ?        ?        789.4078 28.30239 0.000000       28.30239 
1 1 1 -17 16 5  o 357.2195 11.13020 3761.687       232.8940 4134.943       322.5544 3355.171       336.6194 373.8114 14.74186 336.1142 17.13314 37.69720       22.60236 
1 1 1 -17 16 6  o 337.1734 9.704454 3347.683       191.7003 3308.121       276.3943 3384.355       266.1087 334.3931 14.12539 338.3719 13.43626 -3.978821      19.49512 
1 1 1 -17 16 7  o 286.4920 9.612640 2417.676       161.2836 2628.022       234.3685 2228.454       222.2895 298.0842 13.44091 274.3638 13.85959 23.72034       19.30664 
1 1 1 -17 16 8  o 489.0070 10.98845 7044.108       315.1388 7395.239       525.6105 6847.042       393.7639 498.8346 17.99572 481.2491 13.96610 17.58554       22.77933 
1 1 1 -17 16 9  o 155.2188 11.53631 714.0139       104.2667 829.4689       131.1567 515.7405       171.8763 167.0602 13.50143 129.3447 23.52405 37.71545       27.12323 
1 1 1 -17 16 10 o 292.7887 9.448771 2525.457       162.0358 2571.927       230.2618 2479.872       228.0606 294.7989 13.35287 289.4405 13.47205 5.358398       18.96827 
1 1 1 -17 16 11 o 318.5624 9.431928 2989.529       176.0220 2952.486       255.2762 3023.106       243.0399 315.7528 13.81864 319.6948 12.98963 -3.941956      18.96537 
1 1 1 -17 16 12 o 321.0057 9.478525 3036.221       178.2495 3103.281       263.5079 2979.650       242.0256 323.6446 13.91524 317.3208 13.03279 6.323761       19.06535 
1 1 1 -17 16 13 o 240.3318 9.440581 1703.280       132.8052 1858.033       186.7648 1544.998       188.8828 250.4631 12.75656 228.0510 14.19280 22.41211       19.08311 
1 1 1 -17 16 14 o 424.9631 10.09929 5321.514       251.7055 5302.450       397.9166 5334.230       324.9856 422.3321 16.09470 424.5812 13.06683 -2.249054      20.73117 
1 1 1 -17 16 15 o 164.1347 10.83856 797.9407       103.7492 868.5562       128.4232 665.2560       176.0368 170.9312 12.90601 147.6802 20.90905 23.25093       24.57140 
1 1 1 -17 16 16 o 398.6739 11.42778 4695.394       266.9203 5043.644       379.9604 4356.082       375.0522 411.8505 15.75979 382.3552 16.76607 29.49527       23.01026 
1 1 1 -17 16 17 o 146.5351 11.23536 637.3716       95.81952 660.4772       125.7896 605.4304       147.8976 148.5726 14.62570 141.3768 18.26375 7.195892       23.39820 
1 1 1 -17 16 18 o 728.9091 14.50695 15748.91       620.1547 15230.71       1028.922 16044.56       777.1843 709.1729 24.77692 733.5558 18.06510 -24.38293      30.66339 
1 1 1 -17 16 19 o 217.9627 9.770188 1402.710       124.5748 1400.799       166.8229 1405.120       187.3007 217.2116 13.15721 217.1961 14.79233 0.1551819E-01  19.79710 
1 1 1 -17 16 20 o 170.9778 11.60098 867.0148       115.6393 844.6742       148.1208 901.8856       185.0542 168.0712 15.19082 172.9252 18.53584 -4.853989      23.96536 
1 1 1 -17 16 21 o 430.7773 11.80447 5484.616       297.9479 6305.377       710.2189 5309.316       328.2275 454.7150 26.75008 423.4048 13.23434 31.31018       29.84484 
1 1 1 -17 16 22 o 312.3949 8.457279 2874.696       154.8051 2064.525       556.8348 2942.559       161.1582 253.2344 38.72148 316.0214 8.703608 -62.78694      39.68760 
1 1 1 -17 16 23 o 287.9631 8.287996 2443.014       139.8250 2163.881       546.1415 2462.594       144.6460 259.9185 36.86024 289.0740 8.541289 -29.15546      37.83690 
1 1 1 -17 16 24 o 47.04965 19.94954 5.848649       95.48215 584.0573       478.8529 -18.09249      97.43885 135.6811 48.08105 44.74751 19.56543 90.93358       51.90947 
1 1 1 -17 16 25 o 111.4304 17.21692 379.3470       108.8921 -54.12513      471.6481 403.7536       111.9157 95.18925 42.27093 115.0595 17.10462 -19.87028      45.60043 
1 1 1 -17 16 26 o 214.1521 10.78981 1359.713       135.0781 1497.834       499.1995 1348.801       140.3125 210.1344 41.97647 213.1845 11.26247 -3.050140      43.46110 
1 1 1 -17 16 27 o 128.7201 14.35019 499.6643       106.4912 577.8959       476.4585 495.5508       109.2551 132.3045 47.83418 128.0664 14.81957 4.238068       50.07722 
1 1 1 -17 16 28 o 111.7529 18.48058 386.0412       116.8927 1522.375       480.8059 314.6573       120.5083 211.2022 40.28658 99.91742 21.22089 111.2847       45.53388 
1 1 1 -17 16 29 o 174.7419 10.68970 908.1095       109.0260 1546.555       489.3062 874.7563       111.8376 211.6065 40.90776 171.3760 11.18841 40.23050       42.41020 
1 1 1 -17 16 30 o 72.34798 25.21555 151.2182       131.3209 0.000000       0.000000 151.2182       131.3209 ?        ?        72.34798 25.21555 0.000000       25.21555 
1 1 1 -17 16 31 f 280.3714 8.472445 2326.369       139.1536 2877.148       535.2635 2286.447       144.1086 295.7357 31.33754 277.8356 8.855364 17.90002       32.56469 
1 1 1 -17 16 32 o 106.0474 16.17169 348.4479       97.40104 374.4891       449.4478 347.1646       99.77208 110.0643 44.64928 105.6858 16.64701 4.378532       47.65166 
1 1 1 -17 16 33 o 129.2052 13.65133 509.3201       101.8818 670.1085       489.5934 502.0423       104.1620 127.2590 48.03464 128.1068 14.09665 -0.8477631     50.06038 
1 1 1 -17 16 34 o 31.69794 15.39248 -143.9914      89.97501 158.6382       426.0753 -158.1166      92.05085 92.12234 40.57597 31.42236 15.32811 60.69999       43.37465 
1 1 1 -17 16 35 o 199.4964 9.561131 1191.528       111.5395 1006.543       479.7334 1202.099       114.6823 146.8180 48.21329 200.2806 9.793224 -53.46263      49.19786 
1 1 1 -17 16 36 o 125.7422 14.18714 489.5688       102.7983 441.1721       472.2433 491.9762       105.3239 105.3622 44.50594 125.8942 14.53133 -20.53201      46.81814 
1 1 1 -17 16 37 o 83.96326 19.94422 234.7762       96.74503 -401.2810      406.5216 272.9624       99.60679 66.26656 32.30035 91.00085 19.26461 -24.73429      37.60901 
1 1 1 -17 16 38 o 62.49725 21.65546 124.3666       96.78759 -114.3968      381.1221 140.8266       100.0682 72.11012 34.10237 65.55601 22.03492 6.554115       40.60184 
1 1 1 -17 16 39 o 105.9939 16.48487 361.8409       99.14508 -351.0725      389.9010 411.1244       102.5147 64.55682 31.50347 113.4705 15.83540 -48.91369      35.25944 
1 1 1 -17 16 40 o 105.1833 17.65049 363.1725       105.0283 348.2067       398.6363 364.2889       108.8751 91.15773 39.72112 104.9030 18.36537 -13.74526      43.76133 
1 1 1 -17 16 41 o 200.5383 10.79109 1229.237       126.4476 1110.538       417.5835 1241.219       132.6766 143.9532 44.74563 201.1291 11.29319 -57.17596      46.14875 
1 1 1 -17 16 42 o 101.9788 20.59883 359.4739       118.9514 1040.782       425.3416 301.6676       123.8949 133.9223 45.42831 91.39987 23.10479 42.52246       50.96629 
1 1 1 -17 16 43 f 75.78080 24.02411 212.1400       119.7894 35.96699       389.6510 230.5283       125.8858 72.98509 34.50589 78.52254 24.59251 -5.537453      42.37272 
1 1 1 -17 16 44 o 51.61040 22.42716 30.98046       126.3517 9.687136       398.3834 33.36194       133.2301 71.83204 34.22750 52.76722 22.97848 19.06482       41.22539 
1 1 1 -17 17 1  o 174.2492 11.68411 898.7239       118.7134 924.5772       137.6259 823.5703       234.6482 176.4944 13.39598 163.9406 25.21143 12.55382       28.54940 
1 1 1 -17 17 2  o 586.3375 21.42184 10263.16       735.4011 0.000000       0.000000 10263.16       735.4011 ?        ?        586.3375 21.42184 0.000000       21.42184 
1 1 1 -17 17 3  o 360.7296 13.94423 3848.728       294.4477 0.000000       0.000000 3848.728       294.4477 ?        ?        360.7296 13.94423 0.000000       13.94423 
1 1 1 -17 17 4  o 475.8450 12.73839 6684.674       355.1729 6431.291       473.9106 7009.366       536.4666 465.3798 17.39416 485.3365 18.88333 -19.95667      25.67366 
1 1 1 -17 17 5  o 244.4126 10.61916 1762.505       151.8541 1733.000       186.7276 1820.129       260.9489 241.9487 13.20947 246.9592 18.14353 -5.010468      22.44276 
1 1 1 -17 17 6  o 216.2796 10.14145 1380.134       128.2788 1479.730       169.5962 1246.971       196.1046 223.5364 12.99251 204.4957 16.49108 19.04066       20.99431 
1 1 1 -17 17 7  o 297.6848 9.585279 2610.727       167.1265 2715.712       239.2939 2510.750       233.5171 302.9306 13.50302 291.2099 13.71145 11.72067       19.24410 
1 1 1 -17 17 8  o 155.1615 10.89288 712.8268       98.49379 674.4769       121.3324 786.9295       168.6596 150.4424 13.90912 161.7758 18.08562 -11.33344      22.81563 
1 1 1 -17 17 9  o 151.6718 39.66557 745.0198       356.7754 0.000000       0.000000 745.0198       356.7754 ?        ?        151.6718 39.66557 0.000000       39.66557 
1 1 1 -17 17 10 o 432.0831 10.27481 5499.950       260.3704 5337.766       402.4638 5616.688       341.4514 423.9135 16.21813 435.7482 13.37696 -11.83469      21.02311 
1 1 1 -17 17 11 o 359.2343 9.690118 3803.139       203.9673 3919.791       310.9276 3715.020       270.2398 363.5627 14.61218 354.3331 13.02647 9.229614       19.57562 
1 1 1 -17 17 12 o 363.8568 9.641558 3901.932       205.5632 3727.410       302.0525 4052.498       280.5567 354.4719 14.56048 370.0708 12.94657 -15.59888      19.48387 
1 1 1 -17 17 13 o 284.3417 9.137112 2382.838       152.1724 2418.441       217.9021 2348.946       212.6042 285.7195 13.03819 281.6046 12.90737 4.114807       18.34652 
1 1 1 -17 17 14 o 222.9006 9.152331 1465.436       119.3902 1403.318       164.4315 1534.700       173.6304 217.4805 12.95046 227.4425 13.07184 -9.962006      18.40074 
1 1 1 -17 17 15 o 306.0050 10.21195 2763.407       183.0118 2854.214       245.4782 2649.779       274.5985 310.2615 13.52318 298.3318 15.75033 11.92975       20.75932 
1 1 1 -17 17 16 o 465.7865 12.47183 6417.229       340.3899 7137.513       505.4984 5819.678       460.4211 489.1645 17.64927 441.5704 17.81547 47.59409       25.07764 
1 1 1 -17 17 17 o 409.4732 9.321258 4938.592       223.8466 5147.367       326.2005 4752.780       307.7393 416.8569 13.36006 400.6177 13.11560 16.23920       18.72191 
1 1 1 -17 17 18 o 272.7862 9.128297 2193.782       145.8312 2199.753       197.6062 2186.640       216.1062 272.5451 12.39510 271.4552 13.61782 1.089935       18.41422 
1 1 1 -17 17 19 o 387.1501 13.10713 4438.671       297.1740 0.000000       0.000000 4438.671       297.1740 ?        ?        387.1501 13.10713 0.000000       13.10713 
1 1 1 -17 17 20 o 280.7460 8.301209 2321.440       136.5301 3873.973       598.8564 2236.319       140.2229 354.8391 29.03022 275.4881 8.689784 79.35095       30.30291 
1 1 1 -17 17 21 o 47.77093 20.54014 -5.079755      103.7800 42.12243       508.9156 -7.127822      106.0075 104.4701 45.20492 48.05445 20.71171 56.41563       49.72384 
1 1 1 -17 17 22 o 68.88064 21.53234 142.0574       96.55238 -223.1243      509.0437 155.6855       98.33749 92.44987 42.21011 71.57501 21.61478 20.87486       47.42248 
1 1 1 -17 17 23 o 269.8624 8.566344 2147.152       135.4060 1827.525       529.1301 2169.550       140.0700 236.3682 39.56736 271.2241 8.817467 -34.85591      40.53793 
1 1 1 -17 17 24 o 39.80774 18.43326 -82.24733      101.9556 -80.06889      510.2901 -82.33791      104.0537 97.66596 43.63105 40.33454 18.65782 57.33142       47.45295 
1 1 1 -17 17 25 o 269.5009 8.728086 2143.727       137.7706 1392.608       519.9511 2200.444       142.8775 200.5182 45.28751 273.0039 8.935727 -72.48569      46.16065 
1 1 1 -17 17 26 o 174.5420 11.28992 905.9767       114.9490 504.5374       482.9452 930.0848       118.3503 127.3048 47.78154 176.8180 11.47477 -49.51321      49.14006 
1 1 1 -17 17 27 o 122.3506 14.53902 452.7401       102.2882 -34.77861      469.9532 476.9844       104.8007 94.27464 42.00970 125.6385 14.48801 -31.36389      44.43779 
1 1 1 -17 17 28 o 49.68579 21.82298 -22.31859      122.4504 0.000000       0.000000 -22.31859      122.4504 ?        ?        49.68579 21.82298 0.000000       21.82298 
1 1 1 -17 17 29 o 202.6716 10.51290 1220.827       124.5314 2187.211       530.2197 1164.406       128.1152 255.3002 36.44556 197.7706 11.09000 57.52960       38.09550 
1 1 1 -17 17 30 o 143.1629 13.30564 617.7860       110.4377 0.000000       0.000000 617.7860       110.4377 ?        ?        143.1629 13.30564 0.000000       13.30564 
1 1 1 -17 17 31 o 198.1569 9.664104 1167.948       111.9720 1406.247       502.0301 1155.473       114.8656 192.3929 45.25550 197.0027 9.974304 -4.609833      46.34164 
1 1 1 -17 17 32 o 201.1844 9.340197 1205.193       109.9042 2154.528       480.6436 1152.818       112.8952 249.1308 33.76445 196.5966 9.822604 52.53418       35.16421 
1 1 1 -17 17 33 o 59.68428 21.59432 100.0897       97.12419 526.5381       488.4498 82.53470       99.10312 115.6871 46.68447 57.09791 21.59800 58.58919       51.43845 
1 1 1 -17 17 34 o 104.4049 16.07720 342.3899       95.28777 -125.9482      451.1081 364.2622       97.48746 80.80428 37.86596 107.8264 15.89202 -27.02209      41.06564 
1 1 1 -17 17 35 o 143.0615 11.97151 622.5410       99.52342 744.8350       435.7650 615.8110       102.2252 127.3144 45.78292 142.1013 12.38995 -14.78689      47.42981 
1 1 1 -17 17 36 o 116.9157 14.66709 426.5714       98.36248 425.3083       403.9350 426.6510       101.4153 102.5782 42.05687 116.6840 15.17923 -14.10580      44.71229 
1 1 1 -17 17 37 o 38.29123 17.65983 -55.48308      92.21416 -148.0589      413.3342 -50.63396      94.59843 73.70544 35.04752 39.28809 18.03446 34.41736       39.41535 
1 1 1 -17 17 38 o 136.7906 13.40289 581.0336       106.1454 224.3271       436.5994 603.4418       109.4286 88.41603 39.85776 139.3324 13.56292 -50.91640      42.10218 
1 1 1 -17 17 39 o 53.46147 21.14317 69.53571       98.16988 598.4272       427.4199 40.08128       100.8664 106.9744 43.48769 49.90049 20.78907 57.07395       48.20130 
1 1 1 -17 17 40 o 91.63920 20.81914 289.7816       109.3367 162.4393       405.6764 299.7562       113.5381 81.46841 37.37806 92.93705 21.28898 -11.46864      43.01558 
1 1 1 -17 17 41 o 142.2542 14.45043 642.0895       118.8869 720.3180       409.3383 634.8828       124.2425 111.2946 43.42575 140.8258 15.28811 -29.53119      46.03827 
1 1 1 -17 17 42 o 68.19299 24.80021 162.5109       128.3225 0.000000       0.000000 162.5109       128.3225 ?        ?        68.19299 24.80021 0.000000       24.80021 
1 1 1 -17 17 43 o 78.35897 24.13448 229.0572       121.8067 1000.258       421.7750 158.8842       127.2278 127.0648 45.11506 67.20798 24.65462 59.85686       51.41224 
1 1 1 -17 17 44 o 103.0421 23.17816 388.3853       136.6669 -123.6062      414.9330 450.6877       144.7435 68.18323 33.09697 111.5300 22.89628 -43.34681      40.24487 
1 1 1 -17 18 1  o 865.4885 29.79386 22760.14       1510.047 0.000000       0.000000 22760.14       1510.047 ?        ?        865.4885 29.79386 0.000000       29.79386 
1 1 1 -17 18 2  o 172.5846 11.51377 881.8571       115.8721 840.1431       133.5887 1008.581       232.8404 168.1000 13.66822 182.4144 22.22258 -14.31436      26.08952 
1 1 1 -17 18 3  o 543.6238 24.43760 8889.663       777.1339 0.000000       0.000000 8889.663       777.1339 ?        ?        543.6238 24.43760 0.000000       24.43760 
1 1 1 -17 18 4  o 253.7381 10.30638 1899.164       153.0515 1997.673       194.8730 1740.577       247.2563 259.8319 12.82783 241.5117 17.57687 18.32021       21.76005 
1 1 1 -17 18 5  o 358.6764 9.945284 3790.703       209.0023 3798.826       305.7822 3783.581       286.3242 358.0719 14.59157 357.5742 13.67865 0.4977112      20.00048 
1 1 1 -17 18 6  o 382.3495 9.996022 4307.812       223.9575 4464.390       342.3700 4190.700       296.0934 388.0501 15.07246 376.3745 13.43555 11.67563       20.19140 
1 1 1 -17 18 7  o 44.09639 18.46208 10.57510       80.13544 40.05268       93.04662 -74.08367      157.6851 51.25473 20.48153 53.22098 23.97605 -1.966255      31.53323 
1 1 1 -17 18 8  o 268.7507 9.659168 2129.472       151.9963 2252.451       210.0759 1994.365       220.1910 275.8121 13.02390 259.1772 14.54448 16.63486       19.52341 
1 1 1 -17 18 9  o 197.3429 15.44516 1161.298       177.3345 0.000000       0.000000 1161.298       177.3345 ?        ?        197.3429 15.44516 0.000000       15.44516 
1 1 1 -17 18 10 o 117.7820 12.77528 414.6046       86.83548 487.2201       106.0907 267.2088       151.1489 127.4864 14.44353 92.73449 26.48082 34.75193       30.16371 
1 1 1 -17 18 11 f 329.3808 9.434116 3197.584       182.0549 3404.695       274.1765 3034.257       243.4777 338.9175 13.82286 320.1198 12.99571 18.79767       18.97261 
1 1 1 -17 18 12 o 291.8722 9.291305 2511.173       158.8424 2688.676       234.7098 2361.177       215.7589 301.2063 13.31963 282.2860 13.06799 18.92032       18.65971 
1 1 1 -17 18 13 o 123.1164 12.58846 452.5748       89.61673 497.1645       110.8553 368.4674       152.2496 128.6479 14.97220 108.4230 24.51988 20.22491       28.72962 
1 1 1 -17 18 14 f 286.0633 9.133037 2412.220       153.0280 2426.395       219.6647 2398.854       213.3040 286.1117 13.12601 284.5514 12.81456 1.560364       18.34407 
1 1 1 -17 18 15 o 196.3896 9.877624 1139.464       113.4031 1037.185       148.2834 1283.566       176.0097 186.6993 13.63655 207.6033 14.54821 -20.90398      19.94006 
1 1 1 -17 18 16 o 82.77485 17.93318 211.8528       84.53637 151.1472       102.5384 340.6712       149.3694 71.06142 22.18612 104.1503 24.80971 -33.08887      33.28281 
1 1 1 -17 18 17 o 226.6337 14.08942 1527.063       186.3438 0.000000       0.000000 1527.063       186.3438 ?        ?        226.6337 14.08942 0.000000       14.08942 
1 1 1 -17 18 18 o 137.5369 12.54955 563.6699       100.1134 1286.888       566.7210 540.3738       101.7130 194.1273 49.60091 134.5522 13.05329 59.57512       51.28976 
1 1 1 -17 18 19 o 321.7505 8.818932 3050.112       166.2555 0.000000       0.000000 3050.112       166.2555 ?        ?        321.7505 8.818932 0.000000       8.818932 
1 1 1 -17 18 20 o 252.8997 9.153316 1886.273       135.5378 2239.386       589.1211 1866.537       139.2739 263.5919 39.30844 251.5228 9.458367 12.06912       40.43037 
1 1 1 -17 18 21 o 59.02122 21.36584 88.12390       95.09612 -527.3897      496.6157 111.5525       96.88906 80.60549 38.35352 63.31286 21.67774 17.29263       44.05584 
1 1 1 -17 18 22 o 331.2219 8.479893 3233.120       164.5897 2547.526       572.9456 3294.787       171.8324 282.5967 35.34018 334.3098 8.771642 -51.71310      36.41249 
1 1 1 -17 18 23 o 235.3156 8.890100 1634.346       122.4690 1571.058       589.2238 1637.204       125.2033 212.6827 48.33896 235.4881 9.082621 -22.80544      49.18485 
1 1 1 -17 18 24 o 190.0203 10.11081 1069.470       112.2718 -216.9925      565.6022 1122.239       114.5512 96.49043 44.21986 194.6725 10.06752 -98.18209      45.35142 
1 1 1 -17 18 25 o 97.22121 19.59994 294.9321       107.8915 125.8846       515.1875 302.6861       110.3382 106.3647 45.74958 98.47186 19.79293 7.892853       49.84761 
1 1 1 -17 18 26 o 217.1515 9.716208 1396.416       123.4266 762.5869       520.3316 1434.206       127.0528 146.2656 50.23124 220.0417 9.870426 -73.77606      51.19182 
1 1 1 -17 18 27 o 101.9152 21.18310 327.3876       122.4763 0.000000       0.000000 327.3876       122.4763 ?        ?        101.9152 21.18310 0.000000       21.18310 
1 1 1 -17 18 28 o 159.4974 12.06925 760.5786       112.0597 813.4914       501.6931 757.8000       114.9642 148.1785 49.33022 159.1152 12.41799 -10.93672      50.86921 
1 1 1 -17 18 29 o 290.5088 10.86842 2509.705       184.8460 0.000000       0.000000 2509.705       184.8460 ?        ?        290.5088 10.86842 0.000000       10.86842 
1 1 1 -17 18 30 o 101.5219 21.09572 328.9458       121.4979 0.000000       0.000000 328.9458       121.4979 ?        ?        101.5219 21.09572 0.000000       21.09572 
1 1 1 -17 18 31 o 124.4954 14.16024 473.1841       101.5539 1741.663       523.4454 423.5710       103.5208 214.7801 43.05586 117.2740 15.42495 97.50613       45.73550 
1 1 1 -17 18 32 o 85.32639 19.94879 236.0391       98.03067 1080.821       471.3948 197.8536       100.2218 159.7553 47.10652 77.85534 21.32503 81.90000       51.70862 
1 1 1 -17 18 33 o 145.4498 12.18645 641.9533       102.9992 335.6793       457.0504 658.3398       105.7186 102.4411 43.54979 147.2374 12.35675 -44.79625      45.26890 
1 1 1 -17 18 34 o 79.71043 20.35925 209.7542       95.50414 -136.6094      449.4710 226.1313       97.73592 79.57236 37.44847 82.79720 20.28885 -3.224838      42.59138 
1 1 1 -17 18 35 o 106.8339 16.00713 360.3175       97.20898 701.3004       438.6409 342.7059       99.68777 122.4600 45.62322 103.6970 16.97881 18.76300       48.68016 
1 1 1 -17 18 36 o 61.65449 21.53012 118.1396       95.76521 -184.4659      417.7380 134.9250       98.38538 73.43443 35.00725 64.77460 21.84917 8.659836       41.26613 
1 1 1 -17 18 37 o 133.7959 13.77851 557.1606       106.5733 -187.9474      474.7525 596.7006       109.3645 75.81944 36.45562 138.5839 13.63217 -62.76446      38.92105 
1 1 1 -17 18 38 o 63.35587 21.90849 130.3524       99.04131 123.5080       466.9506 130.6748       101.3472 84.38240 39.20286 63.52445 22.15099 20.85795       45.02811 
1 1 1 -17 18 39 o 143.6428 13.61529 645.4208       113.3302 437.0128       457.0899 659.0716       116.9829 95.75864 42.10767 144.9552 13.93198 -49.19656      44.35263 
1 1 1 -17 18 40 o 70.86893 26.61271 173.0722       149.8553 197.5334       404.5968 169.1830       161.3291 82.20892 37.57125 70.81899 27.36474 11.38992       46.48040 
1 1 1 -17 18 41 o 139.2881 15.64585 624.5585       125.6024 771.4908       438.7298 611.4409       131.0893 111.7215 44.53095 137.0177 16.65489 -25.29615      47.54356 
1 1 1 -17 18 42 o 149.7696 15.46161 723.3737       133.8591 784.6183       446.6957 717.3314       140.3070 109.3890 44.46186 148.3163 16.40405 -38.92726      47.39145 
1 1 1 -17 18 43 o 94.29447 23.77991 329.4328       131.4632 257.5648       425.3423 337.0233       138.2314 81.79295 37.79564 94.63325 24.66106 -12.84029      45.12957 
1 1 1 -17 19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 19 2  o 656.2476 23.50161 12947.26       903.0548 0.000000       0.000000 12947.26       903.0548 ?        ?        656.2476 23.50161 0.000000       23.50161 
1 1 1 -17 19 3  o 448.0648 25.14907 6067.770       658.2134 0.000000       0.000000 6067.770       658.2134 ?        ?        448.0648 25.14907 0.000000       25.14907 
1 1 1 -17 19 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 19 5  o 491.6508 13.79221 7154.504       397.2939 6400.596       476.8667 8865.254       718.3416 463.6586 17.56849 543.1744 22.59908 -79.51584      28.62465 
1 1 1 -17 19 6  f 115.2257 13.79602 398.1747       91.37864 484.4262       111.5651 222.3743       159.2777 126.9656 15.29018 86.34323 27.73849 40.62237       31.67354 
1 1 1 -17 19 7  o 277.9633 9.491839 2277.790       154.5079 2234.132       210.8321 2328.440       227.0865 274.6154 13.12867 280.2026 13.86178 -5.587219      19.09217 
1 1 1 -17 19 8  f 59.94097 19.90775 102.1896       81.71731 161.9589       94.88218 -69.48282      160.8036 72.75266 21.04536 54.11789 24.31017 18.63477       32.15418 
1 1 1 -17 19 9  o 281.0433 9.253181 2328.183       152.3079 2470.090       220.3385 2198.332       210.7716 288.7651 13.04422 272.3426 13.23574 16.42245       18.58323 
1 1 1 -17 19 10 o 307.3064 9.252924 2783.390       166.5736 2875.864       244.3945 2703.161       227.6384 311.5124 13.40861 302.1214 12.87688 9.390961       18.59045 
1 1 1 -17 19 11 o 131.0122 12.10378 511.2266       91.94909 560.6458       113.3151 415.9572       157.3318 136.8456 14.33139 115.4346 24.02241 21.41097       27.97257 
1 1 1 -17 19 12 o 148.4814 11.02186 653.9634       95.29477 796.5137       122.8568 438.6669       150.9850 163.6296 12.90670 118.9829 22.46023 44.64674       25.90453 
1 1 1 -17 19 13 o 203.3496 9.705786 1221.122       115.4168 1361.746       159.5418 1066.722       167.1735 214.2390 12.75546 189.0289 15.20780 25.21008       19.84890 
1 1 1 -17 19 14 o 272.9716 9.195695 2196.878       147.0050 2174.676       207.5904 2219.212       208.2039 270.8342 13.10825 273.6214 13.01171 -2.787201      18.46973 
1 1 1 -17 19 15 o 316.4824 24.07556 3039.494       443.5120 0.000000       0.000000 3039.494       443.5120 ?        ?        316.4824 24.07556 0.000000       24.07556 
1 1 1 -17 19 16 o 314.1709 9.149352 2909.076       168.4007 0.000000       0.000000 2909.076       168.4007 ?        ?        314.1709 9.149352 0.000000       9.149352 
1 1 1 -17 19 17 o 278.4538 9.530397 2286.791       155.4082 0.000000       0.000000 2286.791       155.4082 ?        ?        278.4538 9.530397 0.000000       9.530397 
1 1 1 -17 19 18 o 255.1933 10.04129 1922.560       149.9894 0.000000       0.000000 1922.560       149.9894 ?        ?        255.1933 10.04129 0.000000       10.04129 
1 1 1 -17 19 19 o 169.1369 10.88262 847.5998       107.3771 2254.480       600.4702 801.1255       109.1362 264.0037 40.03651 164.3324 11.39445 99.67136       41.62638 
1 1 1 -17 19 20 o 144.4685 12.82277 622.3960       107.5166 918.6759       492.5877 607.5748       110.1730 164.0666 48.09386 142.6293 13.32514 21.43735       49.90570 
1 1 1 -17 19 21 o 260.8321 8.926421 2006.946       136.3479 2011.260       578.6720 2006.693       140.2980 247.0230 41.40735 260.7695 9.188051 -13.74646      42.41449 
1 1 1 -17 19 22 o 292.3908 8.401811 2520.462       143.9251 3505.514       575.6005 2454.767       148.6469 335.3157 29.57233 288.4775 8.796323 46.83823       30.85285 
1 1 1 -17 19 23 o 232.8124 9.358884 1601.823       127.5248 1501.273       541.9966 1607.716       131.2083 208.3768 45.61829 233.1909 9.614614 -24.81415      46.62048 
1 1 1 -17 19 24 o 82.87202 21.42932 216.2516       104.9183 483.6782       500.7840 203.9744       107.2996 126.6755 48.40044 80.57395 22.06339 46.10152       53.19207 
1 1 1 -17 19 25 o 254.5224 8.978816 1914.714       133.8181 1761.385       620.6099 1922.191       137.0418 220.9325 49.16397 254.9742 9.179425 -34.04172      50.01358 
1 1 1 -17 19 26 f 170.4716 11.53072 865.9710       114.6030 846.7501       577.0892 866.7601       116.9319 151.4807 52.85537 170.4938 11.76646 -19.01312      54.14923 
1 1 1 -17 19 27 o 280.8763 8.671318 2332.069       142.6692 2006.096       548.4393 2355.729       147.7562 241.9800 40.04486 282.2285 8.938039 -40.24852      41.03023 
1 1 1 -17 19 28 o 162.8519 12.68545 795.4103       120.2021 1683.278       561.1215 752.7072       123.0588 214.3973 46.00369 158.1922 13.38972 56.20505       47.91267 
1 1 1 -17 19 29 o 100.0057 19.31420 315.3502       109.1783 1020.466       531.0400 284.2305       111.5615 159.7941 50.57333 94.40865 20.71886 65.38548       54.65284 
1 1 1 -17 19 30 o 69.94600 21.91394 153.6190       99.94801 0.000000       0.000000 153.6190       99.94801 ?        ?        69.94600 21.91394 0.000000       21.91394 
1 1 1 -17 19 31 o 158.7767 11.42287 758.5723       105.6575 954.2065       485.4478 748.8439       108.2526 149.0557 48.47157 157.6177 11.79627 -8.562073      49.88632 
1 1 1 -17 19 32 o 141.5961 12.36485 608.7146       101.6521 1215.151       465.5118 578.3495       104.1659 169.7379 45.73837 137.7267 13.05180 32.01122       47.56415 
1 1 1 -17 19 33 f 130.6320 13.08937 522.4132       98.93161 -159.5242      473.0822 553.5994       101.1685 80.81475 38.15128 134.5532 12.98135 -53.73843      40.29933 
1 1 1 -17 19 34 o 30.83430 15.12584 -173.1481      93.45654 236.3960       496.2224 -188.2091      95.15945 96.06118 42.96188 30.49664 15.01994 65.56454       45.51178 
1 1 1 -17 19 35 o 106.3600 16.62652 360.4169       100.3191 494.9287       448.3678 353.3283       102.9285 106.4055 44.03661 104.9433 17.32784 1.462189       47.32311 
1 1 1 -17 19 36 o 133.4365 13.87364 553.9528       106.9882 223.7059       455.3672 573.2480       110.0694 89.98473 40.62231 135.6709 14.03587 -45.68617      42.97881 
1 1 1 -17 19 37 o 98.59467 18.78930 321.2974       104.6808 374.5268       435.1829 318.0283       107.8474 95.40929 41.53885 97.66562 19.51169 -2.256332      45.89316 
1 1 1 -17 19 38 o 191.6155 10.69203 1117.609       119.6784 308.8267       485.0834 1170.029       123.4959 91.13260 41.45228 196.0078 10.78464 -104.8752      42.83223 
1 1 1 -17 19 39 o 168.6219 12.32181 879.6912       121.0126 434.2907       457.5138 913.1956       125.4816 94.49279 41.81410 171.6503 12.55155 -77.15748      43.65731 
1 1 1 -17 19 40 o 93.92450 22.23606 313.0482       120.5764 -184.7700      455.6038 350.5418       125.0346 70.87084 34.46571 99.76169 21.96608 -28.89085      40.87045 
1 1 1 -17 19 41 f 116.7032 19.07512 460.1998       126.0511 281.9680       468.8732 474.0849       130.8690 84.96356 39.40774 118.0729 19.58478 -33.10936      44.00606 
1 1 1 -17 19 42 o 88.63364 25.69569 301.5997       141.3042 0.000000       0.000000 301.5997       141.3042 ?        ?        88.63364 25.69569 0.000000       25.69569 
1 1 1 -17 19 43 o 44.33500 20.76976 -76.44110      135.5495 518.3649       404.2346 -151.7952      143.8797 93.77972 40.43244 41.42021 19.95472 52.35951       45.08850 
1 1 1 -17 20 1  f 388.7522 11.45255 4462.384       260.8264 4291.847       335.6445 4722.355       414.4129 380.2829 15.07940 398.0085 17.79879 -17.72562      23.32778 
1 1 1 -17 20 2  o 635.0132 22.99829 12130.18       855.0884 0.000000       0.000000 12130.18       855.0884 ?        ?        635.0132 22.99829 0.000000       22.99829 
1 1 1 -17 20 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 20 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 20 5  o 368.6553 12.25427 4018.084       264.5785 3734.238       305.6507 4866.471       528.4221 354.7346 14.72368 401.9823 22.50406 -47.24771      26.89274 
1 1 1 -17 20 6  o 307.5848 9.738208 2789.680       175.4474 2707.899       244.8885 2875.926       251.4830 302.1826 13.85497 311.4483 13.80233 -9.265717      19.55670 
1 1 1 -17 20 7  o 228.1050 9.754058 1535.620       130.1868 1560.675       171.0464 1501.121       200.7161 229.4424 12.76157 224.4635 15.33924 4.978897       19.95370 
1 1 1 -17 20 8  o 183.7188 38.90867 1097.269       406.1621 0.000000       0.000000 1097.269       406.1621 ?        ?        183.7188 38.90867 0.000000       38.90867 
1 1 1 -17 20 9  o 303.5637 9.413037 2716.746       167.3805 2749.616       238.7193 2684.959       234.7542 304.5656 13.39739 300.9722 13.33262 3.593384       18.90103 
1 1 1 -17 20 10 o 70.47695 17.61835 153.6563       72.61931 119.3879       83.40943 260.9977       147.6222 63.51915 20.03541 91.58565 26.17566 -28.06650      32.96336 
1 1 1 -17 20 11 o 487.5388 11.11491 7013.745       317.8086 7116.165       509.6351 6948.571       406.5383 488.3953 17.82240 484.0649 14.33594 4.330444       22.87263 
1 1 1 -17 20 12 o 465.5906 10.82615 6394.382       295.6166 6835.262       488.2679 6139.257       371.4283 478.8351 17.41589 455.1217 13.93184 23.71335       22.30268 
1 1 1 -17 20 13 o 188.2054 8.937156 1045.210       98.36475 0.000000       0.000000 1045.210       98.36475 ?        ?        188.2054 8.937156 0.000000       8.937156 
1 1 1 -17 20 14 o 252.7382 9.083220 1883.306       134.4170 0.000000       0.000000 1883.306       134.4170 ?        ?        252.7382 9.083220 0.000000       9.083220 
1 1 1 -17 20 15 o 300.9849 9.356845 2670.793       164.9669 0.000000       0.000000 2670.793       164.9669 ?        ?        300.9849 9.356845 0.000000       9.356845 
1 1 1 -17 20 16 o 302.8405 9.530252 2704.411       169.0549 0.000000       0.000000 2704.411       169.0549 ?        ?        302.8405 9.530252 0.000000       9.530252 
1 1 1 -17 20 17 o 285.8474 9.644451 2410.347       161.4507 0.000000       0.000000 2410.347       161.4507 ?        ?        285.8474 9.644451 0.000000       9.644451 
1 1 1 -17 20 18 o 141.1241 13.75411 595.3939       112.3943 0.000000       0.000000 595.3939       112.3943 ?        ?        141.1241 13.75411 0.000000       13.75411 
1 1 1 -17 20 19 o 187.5347 9.891282 1039.894       108.4043 0.000000       0.000000 1039.894       108.4043 ?        ?        187.5347 9.891282 0.000000       9.891282 
1 1 1 -17 20 20 o 280.7646 8.614660 2324.225       141.6828 0.000000       0.000000 2324.225       141.6828 ?        ?        280.7646 8.614660 0.000000       8.614660 
1 1 1 -17 20 21 o 123.0937 14.82421 456.8813       104.8665 34.64353       529.3177 474.1312       106.9871 104.4703 45.64186 125.4254 14.83096 -20.95512      47.99100 
1 1 1 -17 20 22 o 235.0513 9.333092 1632.752       128.4028 1475.101       582.7869 1640.795       131.6376 203.8315 49.29616 235.5883 9.547208 -31.75676      50.21215 
1 1 1 -17 20 23 o 151.5364 12.29703 685.5938       108.3485 112.0863       558.2216 708.0454       110.4489 108.8323 47.21735 154.0055 12.33150 -45.17321      48.80106 
1 1 1 -17 20 24 o 54.09277 22.13518 37.14639       111.6221 0.000000       0.000000 37.14639       111.6221 ?        ?        54.09277 22.13518 0.000000       22.13518 
1 1 1 -17 20 25 o 203.3704 9.997816 1226.370       118.8804 1636.236       563.4399 1207.274       121.6182 214.2059 46.20932 201.7052 10.31516 12.50069       47.34663 
1 1 1 -17 20 26 o 280.4146 8.848836 2325.043       145.3427 2245.701       561.2162 2330.747       150.4765 257.9077 38.26184 280.6775 9.153600 -22.76978      39.34155 
1 1 1 -17 20 27 o 140.7620 14.90572 600.5787       121.1846 0.000000       0.000000 600.5787       121.1846 ?        ?        140.7620 14.90572 0.000000       14.90572 
1 1 1 -17 20 28 o 74.78596 25.26938 169.1544       131.5987 0.000000       0.000000 169.1544       131.5987 ?        ?        74.78596 25.26938 0.000000       25.26938 
1 1 1 -17 20 29 o 160.6676 13.92133 782.1616       129.8843 2510.186       592.3139 694.8722       133.1244 265.0187 39.29747 150.8802 15.25367 114.1385       42.15407 
1 1 1 -17 20 30 f 103.6701 20.41332 345.4597       119.6940 0.000000       0.000000 345.4597       119.6940 ?        ?        103.6701 20.41332 0.000000       20.41332 
1 1 1 -17 20 31 o 111.1114 15.43903 383.7277       97.89288 560.3277       472.1651 375.7957       100.0672 117.4254 46.39125 109.7049 16.02595 7.720551       49.08136 
1 1 1 -17 20 32 o 53.21645 22.20697 37.01328       115.3715 0.000000       0.000000 37.01328       115.3715 ?        ?        53.21645 22.20697 0.000000       22.20697 
1 1 1 -17 20 33 o 32.74470 15.88385 -146.6468      95.14133 -548.6330      465.1600 -129.0957      97.19612 68.73015 33.72182 34.32842 16.50308 34.40173       37.54348 
1 1 1 -17 20 34 o 104.8008 17.38667 351.9560       103.1207 520.9307       482.4910 343.8680       105.5598 108.5441 45.36295 103.2139 18.09804 5.330124       48.83990 
1 1 1 -17 20 35 o 105.5965 17.13536 358.7178       102.4848 319.7880       453.0202 360.8176       105.2124 95.04787 41.85289 105.6665 17.59623 -10.61863      45.40145 
1 1 1 -17 20 36 o 160.8509 12.13943 793.7925       113.6723 356.3268       445.4502 824.2643       117.5646 95.12006 41.70547 163.8122 12.32759 -68.69215      43.48926 
1 1 1 -17 20 37 o 121.4535 16.63130 474.6415       115.3559 101.7119       449.5423 500.9289       119.3523 82.57033 38.39642 124.7475 16.73533 -42.17720      41.88504 
1 1 1 -17 20 38 o 203.1013 11.20436 1262.121       132.9426 953.9594       503.6793 1285.197       137.8303 122.6490 48.07853 204.7073 11.52707 -82.05835      49.44107 
1 1 1 -17 20 39 o 40.14080 18.79129 -76.85986      110.6186 -1052.260      483.7401 -23.04033      113.6294 56.75872 28.76137 45.06620 20.32311 11.69252       35.21712 
1 1 1 -17 20 40 o 136.8651 15.48518 602.4208       122.1158 998.5902       485.2577 575.6358       126.1764 122.1762 47.39118 132.9620 16.53718 -10.78576      50.19365 
1 1 1 -17 20 41 f 145.1452 16.31636 686.9730       136.4890 790.8462       457.2338 676.8116       143.0094 108.6076 44.66076 143.1067 17.39631 -34.49911      47.92928 
1 1 1 -17 20 42 o 63.73318 25.05805 130.4680       137.1688 292.9020       409.0140 109.8841       145.6008 83.07920 37.89513 61.90268 25.29999 21.17653       45.56458 
1 1 1 -17 21 1  o 506.6229 13.29217 7596.018       394.5988 7113.576       516.4947 8272.419       611.5693 488.3633 18.06431 525.7725 19.86916 -37.40918      26.85336 
1 1 1 -17 21 2  o 373.1050 11.22133 4110.752       245.2630 3888.388       311.8649 4471.238       397.0799 361.9506 14.72224 387.2194 17.53065 -25.26877      22.89254 
1 1 1 -17 21 3  o 393.0644 11.52019 4563.748       265.2803 4105.915       332.6786 5363.206       439.6121 371.7697 15.29074 424.0693 17.71494 -52.29965      23.40141 
1 1 1 -17 21 4  o 385.1387 11.44517 4381.421       258.2306 4435.388       343.8843 4311.645       391.0274 386.4395 15.20298 380.1877 17.58476 6.251770       23.24552 
1 1 1 -17 21 5  o 260.3123 29.98461 2098.398       449.4128 0.000000       0.000000 2098.398       449.4128 ?        ?        260.3123 29.98461 0.000000       29.98461 
1 1 1 -17 21 6  o 161.5024 11.70050 773.9932       110.0726 801.7581       127.7323 693.8899       216.9594 164.0943 13.38889 149.4953 25.67014 14.59901       28.95200 
1 1 1 -17 21 7  o 145.7271 12.29647 631.7817       104.1127 613.5872       125.0286 672.9314       188.0281 143.0686 15.12993 148.1266 22.33804 -5.058014      26.97968 
1 1 1 -17 21 8  f 131.5918 13.24818 517.2861       100.8533 623.4305       124.7117 316.6708       171.4513 144.2543 14.95788 100.4316 28.04084 43.82263       31.78092 
1 1 1 -17 21 9  o 73.94846 18.85427 169.4079       82.00691 130.4521       94.04277 293.0483       167.5405 66.57657 21.30676 96.89120 27.94675 -30.31464      35.14255 
1 1 1 -17 21 10 o 250.2908 13.94998 1860.554       203.9611 0.000000       0.000000 1860.554       203.9611 ?        ?        250.2908 13.94998 0.000000       13.94998 
1 1 1 -17 21 11 o 125.1468 11.66801 466.3295       84.65125 0.000000       0.000000 466.3295       84.65125 ?        ?        125.1468 11.66801 0.000000       11.66801 
1 1 1 -17 21 12 f 481.8744 9.574086 6840.423       270.5713 0.000000       0.000000 6840.423       270.5713 ?        ?        481.8744 9.574086 0.000000       9.574086 
1 1 1 -17 21 13 o 107.9036 15.36539 352.1302       94.49221 0.000000       0.000000 352.1302       94.49221 ?        ?        107.9036 15.36539 0.000000       15.36539 
1 1 1 -17 21 14 o 122.0686 15.06985 448.3975       105.5973 0.000000       0.000000 448.3975       105.5973 ?        ?        122.0686 15.06985 0.000000       15.06985 
1 1 1 -17 21 15 o 154.0566 12.05582 705.3543       108.0581 0.000000       0.000000 705.3543       108.0581 ?        ?        154.0566 12.05582 0.000000       12.05582 
1 1 1 -17 21 16 o 70.99477 22.79472 148.9171       107.5726 0.000000       0.000000 148.9171       107.5726 ?        ?        70.99477 22.79472 0.000000       22.79472 
1 1 1 -17 21 17 o 248.4736 9.670729 1822.502       140.6565 0.000000       0.000000 1822.502       140.6565 ?        ?        248.4736 9.670729 0.000000       9.670729 
1 1 1 -17 21 18 o 184.9872 11.65503 1015.382       125.8035 0.000000       0.000000 1015.382       125.8035 ?        ?        184.9872 11.65503 0.000000       11.65503 
1 1 1 -17 21 19 o 276.9956 9.082275 2263.885       147.3434 0.000000       0.000000 2263.885       147.3434 ?        ?        276.9956 9.082275 0.000000       9.082275 
1 1 1 -17 21 20 o 405.1998 8.977766 4840.433       213.3477 0.000000       0.000000 4840.433       213.3477 ?        ?        405.1998 8.977766 0.000000       8.977766 
1 1 1 -17 21 21 o 215.9621 9.640455 1379.608       121.7950 0.000000       0.000000 1379.608       121.7950 ?        ?        215.9621 9.640455 0.000000       9.640455 
1 1 1 -17 21 22 o 205.0106 10.45360 1246.152       125.2728 1994.410       619.2787 1214.226       127.9174 239.4677 45.76275 202.2809 10.82201 37.18684       47.02494 
1 1 1 -17 21 23 f 97.32565 19.58081 296.0588       107.8903 187.5442       570.8474 300.0786       109.8705 112.5367 48.27699 97.94047 19.80936 14.59621       52.18312 
1 1 1 -17 21 24 o 229.6075 9.660023 1561.347       129.7906 1254.030       568.2397 1578.263       133.3147 183.1066 51.02124 230.7997 9.871807 -47.69312      51.96749 
1 1 1 -17 21 25 o 226.7668 9.765384 1524.181       129.5687 1045.081       543.3968 1553.062       133.4169 166.1189 50.94098 228.8591 9.964008 -62.74026      51.90631 
1 1 1 -17 21 26 o 105.5592 19.31464 348.7819       115.1680 0.000000       0.000000 348.7819       115.1680 ?        ?        105.5592 19.31464 0.000000       19.31464 
1 1 1 -17 21 27 o 196.3672 10.76074 1149.129       123.4521 215.3053       610.6123 1188.926       126.0553 111.6966 48.90500 199.7363 10.80121 -88.03970      50.08358 
1 1 1 -17 21 28 o 69.29866 22.54395 148.0609       105.0040 84.88284       555.5524 150.4015       106.9314 101.0042 45.29358 69.82446 22.75236 31.17969       50.68706 
1 1 1 -17 21 29 o 173.6189 10.89639 903.4863       110.3912 1013.252       514.8795 898.1974       113.0194 153.3624 49.92270 173.0030 11.19925 -19.64055      51.16345 
1 1 1 -17 21 30 o 91.88772 19.12152 271.8796       99.68793 0.000000       0.000000 271.8796       99.68793 ?        ?        91.88772 19.12152 0.000000       19.12152 
1 1 1 -17 21 31 o 135.1707 13.40505 559.3408       104.8693 0.000000       0.000000 559.3408       104.8693 ?        ?        135.1707 13.40505 0.000000       13.40505 
1 1 1 -17 21 32 f 68.03033 21.16674 150.3613       93.41875 874.0101       482.7242 122.2050       95.21882 135.0328 48.23067 62.86927 21.49105 72.16355       52.80211 
1 1 1 -17 21 33 o 78.72118 21.19094 207.3396       99.98573 613.3297       477.0645 188.6868       102.2568 114.8240 46.20727 75.08838 21.88515 39.73562       51.12799 
1 1 1 -17 21 34 o 140.5689 12.98557 608.4934       105.8439 446.3405       455.3731 617.7541       108.8244 102.4491 43.50828 141.4957 13.26873 -39.04659      45.48658 
1 1 1 -17 21 35 o 57.38105 21.88947 90.22777       102.3238 -476.9612      483.9148 116.7744       104.6910 69.14940 34.02054 61.73635 22.40805 7.413048       40.73718 
1 1 1 -17 21 36 o 94.53624 20.19556 301.6474       108.5696 334.3958       457.4464 299.6926       111.7630 93.02160 41.44941 93.83492 20.85009 -0.8133163     46.39806 
1 1 1 -17 21 37 o 62.57592 23.50177 120.6388       116.8766 -318.5944      459.0770 151.0814       120.8590 69.37939 33.92718 67.31156 24.12260 2.067833       41.62876 
1 1 1 -17 21 38 o 262.7288 9.755596 2091.783       150.0573 1520.945       514.2438 2144.912       156.8851 161.1136 49.58314 265.7552 10.08412 -104.6416      50.59819 
1 1 1 -17 21 39 o 90.73167 20.91130 287.2932       108.9896 607.5969       523.0167 272.7526       111.4360 99.08916 44.22578 87.78447 21.75587 11.30470       49.28730 
1 1 1 -17 21 40 o 81.59413 23.91445 246.1505       121.8019 150.3666       477.1491 252.8271       125.9756 80.19104 37.99307 82.39606 24.36641 -2.205025      45.13530 
1 1 1 -17 21 41 o 58.44224 24.12190 87.04675       134.0440 -43.38194      424.3433 101.5040       141.2778 71.43467 34.37765 60.69232 24.87681 10.74235       42.43441 
1 1 1 -17 21 42 o 119.5818 24.92747 535.3334       169.1468 1328.812       427.2132 387.8229       184.1995 152.1954 44.83608 96.01563 29.69734 56.17977       53.77924 
1 1 1 -17 22 1  o 214.3488 10.59674 1357.964       132.7992 1313.011       154.5232 1484.971       259.7373 210.4222 12.57878 221.9715 20.17209 -11.54929      23.77265 
1 1 1 -17 22 2  o 273.8865 10.58397 2215.060       169.6882 2168.070       204.3385 2319.460       304.5770 270.5014 12.91776 278.2409 18.77482 -7.739532      22.78952 
1 1 1 -17 22 3  o 255.6416 10.60395 1930.280       158.6374 1909.560       192.1609 1974.620       281.1042 253.8147 12.95198 256.6131 18.80898 -2.798370      22.83706 
1 1 1 -17 22 4  o 333.1186 10.99707 3276.978       214.5510 3375.019       280.6562 3139.115       332.8083 337.2817 14.22023 324.2644 17.56584 13.01733       22.60030 
1 1 1 -17 22 5  o 166.4079 11.95686 821.8958       115.9143 769.5889       132.8853 988.3425       237.0475 160.5821 14.25814 179.9070 22.99127 -19.32489      27.05352 
1 1 1 -17 22 6  o 82.74086 20.64700 212.9068       99.86274 295.3681       113.4297 -71.27749      210.5725 97.60564 20.47010 62.91229 28.07176 34.69334       34.74261 
1 1 1 -17 22 7  o 179.1712 45.70214 1076.115       481.6965 0.000000       0.000000 1076.115       481.6965 ?        ?        179.1712 45.70214 0.000000       45.70214 
1 1 1 -17 22 8  o 266.9095 8.636585 2098.987       135.0158 0.000000       0.000000 2098.987       135.0158 ?        ?        266.9095 8.636585 0.000000       8.636585 
1 1 1 -17 22 9  o 132.7262 12.17365 524.6519       93.70623 0.000000       0.000000 524.6519       93.70623 ?        ?        132.7262 12.17365 0.000000       12.17365 
1 1 1 -17 22 10 o 183.1024 9.802899 990.6191       104.8849 0.000000       0.000000 990.6191       104.8849 ?        ?        183.1024 9.802899 0.000000       9.802899 
1 1 1 -17 22 11 o 346.3013 8.592470 3529.627       174.5110 0.000000       0.000000 3529.627       174.5110 ?        ?        346.3013 8.592470 0.000000       8.592470 
1 1 1 -17 22 12 o 246.9687 8.966812 1798.126       129.6609 0.000000       0.000000 1798.126       129.6609 ?        ?        246.9687 8.966812 0.000000       8.966812 
1 1 1 -17 22 13 o 150.4403 12.13176 672.9125       106.1311 0.000000       0.000000 672.9125       106.1311 ?        ?        150.4403 12.13176 0.000000       12.13176 
1 1 1 -17 22 14 o 197.0639 10.66668 1148.849       122.8189 0.000000       0.000000 1148.849       122.8189 ?        ?        197.0639 10.66668 0.000000       10.66668 
1 1 1 -17 22 15 o 113.2940 16.63759 389.7751       107.2561 0.000000       0.000000 389.7751       107.2561 ?        ?        113.2940 16.63759 0.000000       16.63759 
1 1 1 -17 22 16 o 80.82307 21.71913 203.4345       105.1428 0.000000       0.000000 203.4345       105.1428 ?        ?        80.82307 21.71913 0.000000       21.71913 
1 1 1 -17 22 17 o 221.7549 10.33648 1454.417       134.0602 0.000000       0.000000 1454.417       134.0602 ?        ?        221.7549 10.33648 0.000000       10.33648 
1 1 1 -17 22 18 o 81.30168 22.55558 206.2479       111.3190 0.000000       0.000000 206.2479       111.3190 ?        ?        81.30168 22.55558 0.000000       22.55558 
1 1 1 -17 22 19 o 235.9876 9.612937 1646.073       132.7657 0.000000       0.000000 1646.073       132.7657 ?        ?        235.9876 9.612937 0.000000       9.612937 
1 1 1 -17 22 20 o 125.5474 15.60680 477.3977       112.4402 0.000000       0.000000 477.3977       112.4402 ?        ?        125.5474 15.60680 0.000000       15.60680 
1 1 1 -17 22 21 o 44.41563 21.17324 -188.0853      152.8014 0.000000       0.000000 -188.0853      152.8014 ?        ?        44.41563 21.17324 0.000000       21.17324 
1 1 1 -17 22 22 o 44.75846 19.75921 -25.47730      101.5832 0.000000       0.000000 -25.47730      101.5832 ?        ?        44.75846 19.75921 0.000000       19.75921 
1 1 1 -17 22 23 o 331.6001 8.781154 3248.709       170.6217 0.000000       0.000000 3248.709       170.6217 ?        ?        331.6001 8.781154 0.000000       8.781154 
1 1 1 -17 22 24 o 154.7058 12.53351 716.7051       112.7451 556.7274       504.0153 725.1319       115.6764 129.2754 48.74993 155.5514 12.79300 -26.27599      50.40056 
1 1 1 -17 22 25 o 109.0716 20.75565 375.0592       127.9203 0.000000       0.000000 375.0592       127.9203 ?        ?        109.0716 20.75565 0.000000       20.75565 
1 1 1 -17 22 26 o 48.37075 20.75983 2.408208       105.6454 -1120.559      556.0920 44.45561       107.6051 69.43531 34.56430 53.85067 21.84637 15.58464       40.88955 
1 1 1 -17 22 27 o 82.53596 21.51044 219.6709       105.1615 -525.7056      527.6476 250.5031       107.3145 78.75732 38.00997 88.22289 21.03783 -9.465569      43.44362 
1 1 1 -17 22 28 o 79.63223 20.98954 205.5788       99.39401 -244.7345      462.9833 227.3357       101.7668 80.31419 37.86214 83.73932 20.81229 -3.425125      43.20525 
1 1 1 -17 22 29 o 155.0747 11.68019 725.7840       105.4478 967.9272       466.8397 712.7657       108.2452 149.5094 47.43012 153.5033 12.12210 -3.993896      48.95469 
1 1 1 -17 22 30 o 135.0519 16.18217 568.4510       125.6215 0.000000       0.000000 568.4510       125.6215 ?        ?        135.0519 16.18217 0.000000       16.18217 
1 1 1 -17 22 31 o 125.2029 13.99994 483.6714       101.0417 1724.267       495.3343 429.8080       103.2119 205.5987 42.48542 117.3554 15.36469 88.24335       45.17837 
1 1 1 -17 22 32 o 70.88055 21.98952 165.8218       100.9040 0.000000       0.000000 165.8218       100.9040 ?        ?        70.88055 21.98952 0.000000       21.98952 
1 1 1 -17 22 33 o 153.8009 12.06775 722.4911       107.9806 1478.445       491.0243 684.0754       110.6903 178.6151 46.44603 149.2808 12.76554 29.33426       48.16838 
1 1 1 -17 22 34 o 175.3779 11.11104 935.4556       113.6950 -105.5839      453.7588 1005.192       117.4414 77.28588 36.74186 181.8468 11.06433 -104.5609      38.37165 
1 1 1 -17 22 35 o 89.54352 20.93570 273.2440       107.9662 -587.1813      463.0515 322.7099       111.0263 64.80971 32.13895 98.08707 19.97962 -33.27737      37.84306 
1 1 1 -17 22 36 o 49.55122 21.11688 27.84918       107.9205 309.6559       500.4588 14.10552       110.5208 91.27669 41.74207 48.49257 21.02436 42.78411       46.73782 
1 1 1 -17 22 37 o 326.0820 9.711515 3218.077       185.5155 0.000000       0.000000 3218.077       185.5155 ?        ?        326.0820 9.711515 0.000000       9.711515 
1 1 1 -17 22 38 o 176.7376 12.20284 967.8989       125.7090 688.9361       495.8122 987.0635       129.9553 104.2363 44.85813 178.2433 12.51116 -74.00700      46.57017 
1 1 1 -17 22 39 o 52.12754 21.72736 52.91730       110.2543 -318.3380      454.8102 76.09690       113.6441 66.93245 32.93997 55.41374 22.46179 11.51871       39.86946 
1 1 1 -17 22 40 o 87.80054 23.80287 285.9814       125.6179 -225.0925      429.7864 333.7193       131.3538 66.90424 32.74013 95.19928 23.63589 -28.29504      40.38034 
1 1 1 -17 22 41 o 120.0955 20.26661 499.4130       137.6690 604.0703       404.9939 485.7397       146.3862 99.23801 41.52330 116.6635 22.20606 -17.42547      47.08815 
1 1 1 -17 23 1  o 287.0173 10.92749 2433.138       183.6053 2445.311       225.1449 2408.971       317.2394 287.2174 13.40294 283.4780 19.19490 3.739410       23.41117 
1 1 1 -17 23 2  o 212.4548 11.36053 1335.647       141.0373 1466.966       162.1804 928.2006       285.6737 222.4808 12.47957 172.2346 29.33149 50.24614       31.87595 
1 1 1 -17 23 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 23 4  o 111.8594 12.89519 374.6729       83.04972 0.000000       0.000000 374.6729       83.04972 ?        ?        111.8594 12.89519 0.000000       12.89519 
1 1 1 -17 23 5  o 157.2059 11.44081 733.1360       104.7595 0.000000       0.000000 733.1360       104.7595 ?        ?        157.2059 11.44081 0.000000       11.44081 
1 1 1 -17 23 6  o 296.0810 9.034950 2583.348       156.7034 0.000000       0.000000 2583.348       156.7034 ?        ?        296.0810 9.034950 0.000000       9.034950 
1 1 1 -17 23 7  o 199.1629 21.22830 1201.467       244.1385 0.000000       0.000000 1201.467       244.1385 ?        ?        199.1629 21.22830 0.000000       21.22830 
1 1 1 -17 23 8  f 358.3612 9.348385 3784.690       196.3076 0.000000       0.000000 3784.690       196.3076 ?        ?        358.3612 9.348385 0.000000       9.348385 
1 1 1 -17 23 9  o 187.8226 13.03999 1048.100       142.7482 0.000000       0.000000 1048.100       142.7482 ?        ?        187.8226 13.03999 0.000000       13.03999 
1 1 1 -17 23 10 o 327.4859 8.910952 3159.823       170.9871 0.000000       0.000000 3159.823       170.9871 ?        ?        327.4859 8.910952 0.000000       8.910952 
1 1 1 -17 23 11 o 61.63185 21.64862 101.5795       96.91203 0.000000       0.000000 101.5795       96.91203 ?        ?        61.63185 21.64862 0.000000       21.64862 
1 1 1 -17 23 12 o 40.05191 18.27276 -59.89693      95.16291 0.000000       0.000000 -59.89693      95.16291 ?        ?        40.05191 18.27276 0.000000       18.27276 
1 1 1 -17 23 13 o 47.63796 20.09383 9.047406       96.03801 0.000000       0.000000 9.047406       96.03801 ?        ?        47.63796 20.09383 0.000000       20.09383 
1 1 1 -17 23 14 o 250.6020 9.404040 1853.368       137.9680 0.000000       0.000000 1853.368       137.9680 ?        ?        250.6020 9.404040 0.000000       9.404040 
1 1 1 -17 23 15 o 338.1219 9.401734 3372.772       186.2559 0.000000       0.000000 3372.772       186.2559 ?        ?        338.1219 9.401734 0.000000       9.401734 
1 1 1 -17 23 16 o 257.7624 9.855297 1962.992       148.7096 0.000000       0.000000 1962.992       148.7096 ?        ?        257.7624 9.855297 0.000000       9.855297 
1 1 1 -17 23 17 o 185.3651 11.49334 1020.201       124.3321 0.000000       0.000000 1020.201       124.3321 ?        ?        185.3651 11.49334 0.000000       11.49334 
1 1 1 -17 23 18 o 63.54946 22.33180 110.0590       103.1328 0.000000       0.000000 110.0590       103.1328 ?        ?        63.54946 22.33180 0.000000       22.33180 
1 1 1 -17 23 19 o 257.7134 9.979007 1965.334       150.5405 0.000000       0.000000 1965.334       150.5405 ?        ?        257.7134 9.979007 0.000000       9.979007 
1 1 1 -17 23 20 o 141.3500 14.26223 601.2516       116.6164 0.000000       0.000000 601.2516       116.6164 ?        ?        141.3500 14.26223 0.000000       14.26223 
1 1 1 -17 23 21 o 233.4252 9.900157 1613.990       135.2238 0.000000       0.000000 1613.990       135.2238 ?        ?        233.4252 9.900157 0.000000       9.900157 
1 1 1 -17 23 22 f 289.4034 9.292321 2477.547       157.5125 0.000000       0.000000 2477.547       157.5125 ?        ?        289.4034 9.292321 0.000000       9.292321 
1 1 1 -17 23 23 o 61.32586 23.22289 88.47066       114.6500 0.000000       0.000000 88.47066       114.6500 ?        ?        61.32586 23.22289 0.000000       23.22289 
1 1 1 -17 23 24 o 164.9875 13.16099 817.6589       126.2925 0.000000       0.000000 817.6589       126.2925 ?        ?        164.9875 13.16099 0.000000       13.16099 
1 1 1 -17 23 25 o 55.78793 22.39764 53.71368       111.8096 -754.1899      548.0044 88.80634       114.2122 75.94279 37.12202 60.98306 23.15877 14.95972       43.75355 
1 1 1 -17 23 26 o 89.69007 20.73302 258.4544       106.8753 449.4456       514.0535 249.8258       109.2628 117.0917 47.65784 87.99529 21.38453 29.09640       52.23570 
1 1 1 -17 23 27 o 81.13514 21.31327 213.8813       102.7085 -98.84629      479.4442 228.9233       105.1496 86.83375 40.12582 83.90508 21.32628 2.928673       45.44108 
1 1 1 -17 23 28 o 144.8675 12.40866 636.1561       104.4113 257.3594       471.7942 655.6637       107.0660 100.3546 43.47440 147.0380 12.53512 -46.68343      45.24547 
1 1 1 -17 23 29 o 248.6289 10.01631 1850.364       145.7538 3346.632       531.5707 1728.725       151.5626 312.2665 29.37074 239.9075 10.79972 72.35898       31.29336 
1 1 1 -17 23 30 o 146.0112 12.25636 648.7776       103.9861 520.5739       491.6624 654.7809       106.3929 111.5500 46.13484 146.5859 12.49469 -35.03586      47.79687 
1 1 1 -17 23 31 o 124.5325 14.80882 482.5182       106.0411 0.000000       0.000000 482.5182       106.0411 ?        ?        124.5325 14.80882 0.000000       14.80882 
1 1 1 -17 23 32 o 41.59773 18.99182 -48.11139      103.0417 0.000000       0.000000 -48.11139      103.0417 ?        ?        41.59773 18.99182 0.000000       18.99182 
1 1 1 -17 23 33 o 107.8086 17.35745 375.1696       106.0210 586.6677       437.0010 361.9423       109.2860 109.5526 44.17569 105.3008 18.36368 4.251740       47.84053 
1 1 1 -17 23 34 o 143.2130 13.09848 635.0807       108.7987 547.1400       476.0513 639.9272       111.7565 104.7145 44.47833 143.5712 13.42836 -38.85678      46.46119 
1 1 1 -17 23 35 f 83.97062 21.48712 243.8235       106.2424 -197.1961      451.6087 269.6613       109.3103 72.74792 35.12328 88.47648 21.31920 -15.72856      41.08714 
1 1 1 -17 23 36 o 56.58849 22.19509 85.81886       107.3915 -304.4868      487.2195 105.7496       110.0993 70.88714 34.72475 59.70462 22.72270 11.18252       41.49854 
1 1 1 -17 23 37 o 118.3114 17.69080 461.6591       118.9877 2.771577       500.3472 489.1665       122.5021 78.21988 37.56197 121.8602 17.65444 -43.64033      41.50398 
1 1 1 -17 23 38 o 141.8276 14.53816 639.9998       119.2166 1276.475       452.1830 592.4537       123.5893 149.0382 46.59916 135.4311 15.86015 13.60704       49.22424 
1 1 1 -17 23 39 o 63.93848 24.33124 134.9739       126.2298 224.0735       410.1888 125.6534       132.6679 80.84773 37.27214 63.08147 24.69065 17.76626       44.70839 
1 1 1 -17 23 40 o 37.06007 18.08117 -183.9406      128.2345 -953.5185      367.1326 -77.00494      136.8542 48.19064 24.48578 44.61915 20.89211 3.571487       32.18748 
1 1 1 -17 24 1  o 281.6070 16.44837 2363.603       270.4718 2509.349       457.1351 2285.101       335.4970 286.1281 27.58312 275.5054 20.92024 10.62265       34.61914 
1 1 1 -17 24 2  o 205.4859 10.29212 1247.626       123.6382 0.000000       0.000000 1247.626       123.6382 ?        ?        205.4859 10.29212 0.000000       10.29212 
1 1 1 -17 24 3  o 296.4386 19.59073 2635.846       338.6837 0.000000       0.000000 2635.846       338.6837 ?        ?        296.4386 19.59073 0.000000       19.59073 
1 1 1 -17 24 4  o 215.3784 10.13012 1370.093       127.5994 0.000000       0.000000 1370.093       127.5994 ?        ?        215.3784 10.13012 0.000000       10.13012 
1 1 1 -17 24 5  o 279.2589 9.346889 2299.258       152.8665 0.000000       0.000000 2299.258       152.8665 ?        ?        279.2589 9.346889 0.000000       9.346889 
1 1 1 -17 24 6  o 158.6259 12.86394 748.7074       118.6476 0.000000       0.000000 748.7074       118.6476 ?        ?        158.6259 12.86394 0.000000       12.86394 
1 1 1 -17 24 7  o 251.1203 9.656545 1860.631       141.9528 0.000000       0.000000 1860.631       141.9528 ?        ?        251.1203 9.656545 0.000000       9.656545 
1 1 1 -17 24 8  o 40.49716 18.73981 -84.92865      105.1102 0.000000       0.000000 -84.92865      105.1102 ?        ?        40.49716 18.73981 0.000000       18.73981 
1 1 1 -17 24 9  o 271.3939 9.339052 2172.194       148.4246 0.000000       0.000000 2172.194       148.4246 ?        ?        271.3939 9.339052 0.000000       9.339052 
1 1 1 -17 24 10 o 165.0446 12.42026 809.7953       119.3395 0.000000       0.000000 809.7953       119.3395 ?        ?        165.0446 12.42026 0.000000       12.42026 
1 1 1 -17 24 11 o 98.67893 18.88496 300.3857       105.3127 0.000000       0.000000 300.3857       105.3127 ?        ?        98.67893 18.88496 0.000000       18.88496 
1 1 1 -17 24 12 o 147.7069 12.34241 649.7328       105.9416 0.000000       0.000000 649.7328       105.9416 ?        ?        147.7069 12.34241 0.000000       12.34241 
1 1 1 -17 24 13 o 151.6360 12.09482 684.3607       106.6695 0.000000       0.000000 684.3607       106.6695 ?        ?        151.6360 12.09482 0.000000       12.09482 
1 1 1 -17 24 14 o 209.0748 9.700225 1292.072       118.6175 0.000000       0.000000 1292.072       118.6175 ?        ?        209.0748 9.700225 0.000000       9.700225 
1 1 1 -17 24 15 o 192.5297 10.46947 1097.950       117.7703 0.000000       0.000000 1097.950       117.7703 ?        ?        192.5297 10.46947 0.000000       10.46947 
1 1 1 -17 24 16 o 218.8734 10.35150 1418.453       132.4995 0.000000       0.000000 1418.453       132.4995 ?        ?        218.8734 10.35150 0.000000       10.35150 
1 1 1 -17 24 17 o 123.5846 15.63548 462.8989       110.7930 0.000000       0.000000 462.8989       110.7930 ?        ?        123.5846 15.63548 0.000000       15.63548 
1 1 1 -17 24 18 o 344.8063 8.800814 3509.929       177.8253 0.000000       0.000000 3509.929       177.8253 ?        ?        344.8063 8.800814 0.000000       8.800814 
1 1 1 -17 24 19 f 295.7296 9.051399 2584.388       156.8013 0.000000       0.000000 2584.388       156.8013 ?        ?        295.7296 9.051399 0.000000       9.051399 
1 1 1 -17 24 20 o 186.9067 11.06419 1038.820       120.7390 0.000000       0.000000 1038.820       120.7390 ?        ?        186.9067 11.06419 0.000000       11.06419 
1 1 1 -17 24 21 o 80.83508 21.92928 206.7434       106.5782 0.000000       0.000000 206.7434       106.5782 ?        ?        80.83508 21.92928 0.000000       21.92928 
1 1 1 -17 24 22 o 119.3889 17.12830 437.9472       116.5001 0.000000       0.000000 437.9472       116.5001 ?        ?        119.3889 17.12830 0.000000       17.12830 
1 1 1 -17 24 23 o 62.56244 23.65469 94.41434       118.8460 0.000000       0.000000 94.41434       118.8460 ?        ?        62.56244 23.65469 0.000000       23.65469 
1 1 1 -17 24 24 o 182.1317 11.70848 992.4573       124.4027 0.000000       0.000000 992.4573       124.4027 ?        ?        182.1317 11.70848 0.000000       11.70848 
1 1 1 -17 24 25 o 33.45429 16.31147 -179.6283      103.8865 0.000000       0.000000 -179.6283      103.8865 ?        ?        33.45429 16.31147 0.000000       16.31147 
1 1 1 -17 24 26 o 34.22927 16.50017 -141.7381      98.72301 0.000000       0.000000 -141.7381      98.72301 ?        ?        34.22927 16.50017 0.000000       16.50017 
1 1 1 -17 24 27 o 60.70747 21.66165 105.8919       97.34798 -643.6741      486.3253 137.1794       99.35889 70.05999 34.39583 66.34953 21.94878 3.710464       40.80223 
1 1 1 -17 24 28 o 45.99039 20.53337 -28.09763      112.8399 762.0167       455.5673 -79.74009      116.4692 130.7896 46.83838 42.44000 19.66936 88.34962       50.80076 
1 1 1 -17 24 29 o 83.23695 21.19094 230.0781       103.7010 469.7033       474.7527 218.0722       106.2671 108.5565 45.15382 80.85571 21.88134 27.70076       50.17629 
1 1 1 -17 24 30 o 183.3940 10.33715 1012.554       110.7324 948.1664       490.8680 1016.006       113.6622 138.6599 48.72053 183.5844 10.60184 -44.92448      49.86070 
1 1 1 -17 24 31 o 99.20224 19.28978 322.6465       108.1851 0.000000       0.000000 322.6465       108.1851 ?        ?        99.20224 19.28978 0.000000       19.28978 
1 1 1 -17 24 32 o 58.84220 22.52139 94.61358       108.5513 489.5506       502.1045 75.24946       111.1806 103.3727 44.81527 56.45061 22.44439 46.92210       50.12144 
1 1 1 -17 24 33 o 147.4386 16.74480 694.0862       142.2294 0.000000       0.000000 694.0862       142.2294 ?        ?        147.4386 16.74480 0.000000       16.74480 
1 1 1 -17 24 34 o 58.20103 21.99755 97.58291       102.7558 556.7632       503.5769 77.63329       104.9642 103.0355 44.77344 55.52459 21.89263 47.51095       49.83923 
1 1 1 -17 24 35 o 95.73783 20.54513 313.6421       111.9033 -729.2968      485.6143 372.1288       114.9982 62.48288 31.28540 105.3412 19.32607 -42.85835      36.77327 
1 1 1 -17 24 36 o 143.0038 14.83169 650.2496       122.5867 209.1135       477.7847 681.3359       126.8325 84.38766 39.35623 146.2848 14.99564 -61.89717      42.11629 
1 1 1 -17 24 37 o 125.8615 16.76425 517.3419       120.6705 706.8992       458.3279 503.2234       125.0836 106.4248 44.32449 123.3360 17.80764 -16.91125      47.76790 
1 1 1 -17 24 38 o 73.74381 24.65791 200.4557       125.3263 259.2614       417.3158 194.6263       131.3913 82.79794 37.95922 72.73660 25.22989 10.06133       45.57905 
1 1 1 -17 24 39 o 82.22261 26.27745 262.3362       143.0777 408.8396       347.9547 232.5244       156.9615 89.62469 38.04582 77.31336 27.51453 12.31133       46.95246 
1 1 1 -17 24 40 o 69.90293 25.67014 179.8360       137.9821 -337.4945      352.9958 273.1368       149.9092 58.38456 28.78826 82.91770 26.93373 -24.53314      39.42321 
1 1 1 -17 25 1  o 165.8824 12.55298 817.8702       121.2166 0.000000       0.000000 817.8702       121.2166 ?        ?        165.8824 12.55298 0.000000       12.55298 
1 1 1 -17 25 2  o 232.9116 9.574778 1600.831       130.5099 2223.840       480.1579 1551.132       135.6155 267.3053 31.21548 229.1773 10.11482 38.12794       32.81335 
1 1 1 -17 25 3  o 78.75841 21.52062 192.2197       102.2101 0.000000       0.000000 192.2197       102.2101 ?        ?        78.75841 21.52062 0.000000       21.52062 
1 1 1 -17 25 4  o 492.0540 19.88017 7255.938       572.5170 0.000000       0.000000 7255.938       572.5170 ?        ?        492.0540 19.88017 0.000000       19.88017 
1 1 1 -17 25 5  o 369.1191 9.192714 4013.021       199.0035 0.000000       0.000000 4013.021       199.0035 ?        ?        369.1191 9.192714 0.000000       9.192714 
1 1 1 -17 25 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 25 7  o 87.99310 20.73726 241.3509       105.2520 0.000000       0.000000 241.3509       105.2520 ?        ?        87.99310 20.73726 0.000000       20.73726 
1 1 1 -17 25 8  o 168.0785 11.62157 838.4990       113.8532 0.000000       0.000000 838.4990       113.8532 ?        ?        168.0785 11.62157 0.000000       11.62157 
1 1 1 -17 25 9  o 58.82549 21.08835 89.38281       92.37498 0.000000       0.000000 89.38281       92.37498 ?        ?        58.82549 21.08835 0.000000       21.08835 
1 1 1 -17 25 10 o 176.7978 10.58341 925.8930       109.2347 0.000000       0.000000 925.8930       109.2347 ?        ?        176.7978 10.58341 0.000000       10.58341 
1 1 1 -17 25 11 o 109.4567 16.50121 364.7089       102.6384 0.000000       0.000000 364.7089       102.6384 ?        ?        109.4567 16.50121 0.000000       16.50121 
1 1 1 -17 25 12 o 275.8828 9.117586 2246.023       147.3188 0.000000       0.000000 2246.023       147.3188 ?        ?        275.8828 9.117586 0.000000       9.117586 
1 1 1 -17 25 13 o 317.5505 9.196976 2976.015       171.1003 0.000000       0.000000 2976.015       171.1003 ?        ?        317.5505 9.196976 0.000000       9.196976 
1 1 1 -17 25 14 o 50.13676 22.34902 -44.92905      133.1235 0.000000       0.000000 -44.92905      133.1235 ?        ?        50.13676 22.34902 0.000000       22.34902 
1 1 1 -17 25 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 25 16 o 128.0206 15.53468 496.3630       114.2522 0.000000       0.000000 496.3630       114.2522 ?        ?        128.0206 15.53468 0.000000       15.53468 
1 1 1 -17 25 17 o 53.40984 21.70088 39.57096       106.3668 0.000000       0.000000 39.57096       106.3668 ?        ?        53.40984 21.70088 0.000000       21.70088 
1 1 1 -17 25 18 o 102.7039 18.36387 326.9936       106.5514 0.000000       0.000000 326.9936       106.5514 ?        ?        102.7039 18.36387 0.000000       18.36387 
1 1 1 -17 25 19 o 159.9979 11.95529 764.3038       111.3714 0.000000       0.000000 764.3038       111.3714 ?        ?        159.9979 11.95529 0.000000       11.95529 
1 1 1 -17 25 20 o 119.6899 17.15677 439.6857       116.9930 0.000000       0.000000 439.6857       116.9930 ?        ?        119.6899 17.15677 0.000000       17.15677 
1 1 1 -17 25 21 o 185.2285 11.80456 1024.382       127.5682 0.000000       0.000000 1024.382       127.5682 ?        ?        185.2285 11.80456 0.000000       11.80456 
1 1 1 -17 25 22 f 151.7160 14.25267 695.8811       125.3320 0.000000       0.000000 695.8811       125.3320 ?        ?        151.7160 14.25267 0.000000       14.25267 
1 1 1 -17 25 23 f 47.82993 20.98634 -16.75396      112.9788 0.000000       0.000000 -16.75396      112.9788 ?        ?        47.82993 20.98634 0.000000       20.98634 
1 1 1 -17 25 24 o 123.2695 15.18780 466.2932       107.4807 0.000000       0.000000 466.2932       107.4807 ?        ?        123.2695 15.18780 0.000000       15.18780 
1 1 1 -17 25 25 o 83.02672 21.02607 224.2797       102.4733 0.000000       0.000000 224.2797       102.4733 ?        ?        83.02672 21.02607 0.000000       21.02607 
1 1 1 -17 25 26 o 41.94768 18.77860 -30.09757      95.05228 0.000000       0.000000 -30.09757      95.05228 ?        ?        41.94768 18.77860 0.000000       18.77860 
1 1 1 -17 25 27 o 79.38729 20.97653 207.6329       99.11437 0.000000       0.000000 207.6329       99.11437 ?        ?        79.38729 20.97653 0.000000       20.97653 
1 1 1 -17 25 28 o 150.6811 12.87770 693.2581       112.7115 0.000000       0.000000 693.2581       112.7115 ?        ?        150.6811 12.87770 0.000000       12.87770 
1 1 1 -17 25 29 o 293.0522 15.25743 2654.331       261.3235 3668.376       582.2018 2398.487       292.4373 319.7538 31.45279 275.5811 18.19575 44.17267       36.33680 
1 1 1 -17 25 30 o 117.3442 16.82116 438.0573       112.4562 579.9603       508.3346 430.7551       115.3134 110.8363 46.45808 115.9888 17.49539 -5.152512      49.64315 
1 1 1 -17 25 31 f 125.3836 15.78960 497.4343       113.5390 445.3020       513.8156 500.1105       116.4168 101.3569 44.60406 125.4930 16.19499 -24.13610      47.45313 
1 1 1 -17 25 32 o 57.28769 22.37371 84.97470       108.7404 782.8150       503.7709 50.87164       111.3658 117.9126 47.47151 53.17060 21.97042 64.74197       52.30912 
1 1 1 -17 25 33 o 105.9224 18.92719 371.6366       113.2621 581.7499       515.6652 360.9864       116.0972 104.2365 45.30136 103.8233 19.78893 0.4132385      49.43496 
1 1 1 -17 25 34 o 69.61368 23.45358 167.2077       113.3654 49.26717       490.0700 173.8757       116.5260 81.00809 38.41644 70.74164 23.77798 10.26646       45.17981 
1 1 1 -17 25 35 o 58.30308 23.27612 90.06384       120.0562 -338.5793      500.6084 116.2212       123.6651 70.22593 34.56039 62.05492 23.96374 8.171005       42.05570 
1 1 1 -17 25 36 o 120.7329 17.89211 482.6416       122.8600 56.84866       450.4534 516.8626       127.7018 77.57333 36.80021 124.9603 17.93870 -47.38698      40.93962 
1 1 1 -17 25 37 o 75.49575 24.21484 209.8501       121.4161 54.30497       426.0305 223.6005       126.6692 75.52895 35.81822 77.52557 24.71921 -1.996620      43.51992 
1 1 1 -17 25 38 o 46.26575 21.17532 -36.07313      129.1390 -670.9341      351.4985 62.99188       138.8495 51.50526 25.90273 56.42770 23.99662 -4.922443      35.30990 
1 1 1 -17 25 39 o 61.79365 24.70294 116.6264       135.4102 -283.3570      356.0445 184.2640       146.4122 60.20772 29.53268 70.73060 26.35702 -10.52288      39.58373 
1 1 1 -17 26 1  o 70.93676 22.37426 150.3305       104.0207 0.000000       0.000000 150.3305       104.0207 ?        ?        70.93676 22.37426 0.000000       22.37426 
1 1 1 -17 26 2  o 249.8755 19.44794 1880.247       282.7592 0.000000       0.000000 1880.247       282.7592 ?        ?        249.8755 19.44794 0.000000       19.44794 
1 1 1 -17 26 3  o 181.9410 10.68115 980.2518       113.4709 1388.584       494.7160 957.5771       116.5789 204.3419 42.66056 179.7445 11.11329 24.59743       44.08434 
1 1 1 -17 26 4  o 347.1396 9.298537 3553.726       189.1376 0.000000       0.000000 3553.726       189.1376 ?        ?        347.1396 9.298537 0.000000       9.298537 
1 1 1 -17 26 5  o 172.0758 11.55889 878.8619       115.9738 0.000000       0.000000 878.8619       115.9738 ?        ?        172.0758 11.55889 0.000000       11.55889 
1 1 1 -17 26 6  o 380.5389 28.35655 4468.808       628.3040 0.000000       0.000000 4468.808       628.3040 ?        ?        380.5389 28.35655 0.000000       28.35655 
1 1 1 -17 26 7  o 269.2409 9.261115 2139.180       146.0184 0.000000       0.000000 2139.180       146.0184 ?        ?        269.2409 9.261115 0.000000       9.261115 
1 1 1 -17 26 8  o 82.73844 20.77925 213.9505       100.6777 0.000000       0.000000 213.9505       100.6777 ?        ?        82.73844 20.77925 0.000000       20.77925 
1 1 1 -17 26 9  o 319.7203 8.570392 3013.601       160.5571 0.000000       0.000000 3013.601       160.5571 ?        ?        319.7203 8.570392 0.000000       8.570392 
1 1 1 -17 26 10 o 174.3125 10.67016 900.9445       108.5586 0.000000       0.000000 900.9445       108.5586 ?        ?        174.3125 10.67016 0.000000       10.67016 
1 1 1 -17 26 11 o 433.7745 9.180686 5549.645       233.5553 0.000000       0.000000 5549.645       233.5553 ?        ?        433.7745 9.180686 0.000000       9.180686 
1 1 1 -17 26 12 o 263.6589 9.150965 2053.253       141.2866 0.000000       0.000000 2053.253       141.2866 ?        ?        263.6589 9.150965 0.000000       9.150965 
1 1 1 -17 26 13 o 52.04761 21.13912 36.83638       100.8849 0.000000       0.000000 36.83638       100.8849 ?        ?        52.04761 21.13912 0.000000       21.13912 
1 1 1 -17 26 14 o 249.6026 10.13477 1844.590       148.0503 0.000000       0.000000 1844.590       148.0503 ?        ?        249.6026 10.13477 0.000000       10.13477 
1 1 1 -17 26 15 o 175.0517 15.21987 922.0378       154.7012 0.000000       0.000000 922.0378       154.7012 ?        ?        175.0517 15.21987 0.000000       15.21987 
1 1 1 -17 26 16 o 67.30470 22.97717 130.0588       108.8359 0.000000       0.000000 130.0588       108.8359 ?        ?        67.30470 22.97717 0.000000       22.97717 
1 1 1 -17 26 17 o 53.91322 22.10469 36.30482       111.5876 0.000000       0.000000 36.30482       111.5876 ?        ?        53.91322 22.10469 0.000000       22.10469 
1 1 1 -17 26 18 o 231.9403 10.12907 1595.407       137.4510 0.000000       0.000000 1595.407       137.4510 ?        ?        231.9403 10.12907 0.000000       10.12907 
1 1 1 -17 26 19 o 281.3492 9.575591 2344.902       157.7714 0.000000       0.000000 2344.902       157.7714 ?        ?        281.3492 9.575591 0.000000       9.575591 
1 1 1 -17 26 20 o 330.2674 9.241754 3230.226       178.8313 0.000000       0.000000 3230.226       178.8313 ?        ?        330.2674 9.241754 0.000000       9.241754 
1 1 1 -17 26 21 o 217.0164 10.76883 1402.973       136.6322 0.000000       0.000000 1402.973       136.6322 ?        ?        217.0164 10.76883 0.000000       10.76883 
1 1 1 -17 26 22 o 38.95868 18.17753 -87.61572      102.1091 0.000000       0.000000 -87.61572      102.1091 ?        ?        38.95868 18.17753 0.000000       18.17753 
1 1 1 -17 26 23 o 51.74207 21.29821 36.20082       104.1209 0.000000       0.000000 36.20082       104.1209 ?        ?        51.74207 21.29821 0.000000       21.29821 
1 1 1 -17 26 24 o 58.32694 22.04045 85.94465       103.1443 0.000000       0.000000 85.94465       103.1443 ?        ?        58.32694 22.04045 0.000000       22.04045 
1 1 1 -17 26 25 f 85.61913 20.48711 239.6344       101.4953 0.000000       0.000000 239.6344       101.4953 ?        ?        85.61913 20.48711 0.000000       20.48711 
1 1 1 -17 26 26 o 131.6738 13.66594 532.0134       104.0003 0.000000       0.000000 532.0134       104.0003 ?        ?        131.6738 13.66594 0.000000       13.66594 
1 1 1 -17 26 27 o 109.4077 16.73327 378.5013       103.9622 0.000000       0.000000 378.5013       103.9622 ?        ?        109.4077 16.73327 0.000000       16.73327 
1 1 1 -17 26 28 o 65.93391 22.75600 136.5517       106.8322 0.000000       0.000000 136.5517       106.8322 ?        ?        65.93391 22.75600 0.000000       22.75600 
1 1 1 -17 26 29 o 57.76981 22.84227 79.36850       114.5600 0.000000       0.000000 79.36850       114.5600 ?        ?        57.76981 22.84227 0.000000       22.84227 
1 1 1 -17 26 30 o 239.4564 10.08276 1729.573       141.2808 0.000000       0.000000 1729.573       141.2808 ?        ?        239.4564 10.08276 0.000000       10.08276 
1 1 1 -17 26 31 o 86.46957 21.97842 257.4395       111.6775 1625.734       546.0410 197.7060       114.0892 174.8865 50.45552 75.58938 23.37069 99.29710       55.60530 
1 1 1 -17 26 32 o 56.18970 22.54229 74.78017       113.1706 -192.2509      524.4147 87.82358       115.9016 77.10978 37.37786 58.22871 22.99067 18.88107       43.88252 
1 1 1 -17 26 33 o 84.61276 22.75238 253.2086       115.3388 1058.065       553.2712 216.6416       117.9298 125.3828 49.99692 77.97657 23.69608 47.40626       55.32808 
1 1 1 -17 26 34 o 58.93115 23.50393 92.91478       122.2987 490.1012       506.8758 68.36295       126.0220 96.13778 43.17540 56.38570 23.34199 39.75208       49.08120 
1 1 1 -17 26 35 o 48.95410 21.80636 -3.511999      126.5048 783.6165       523.8295 -52.26234      130.3635 107.4949 46.18224 45.65670 21.03539 61.83821       50.74729 
1 1 1 -17 26 36 o 66.98693 24.04732 156.0309       120.1620 -75.57481      471.8038 172.0962       124.2596 73.62948 35.63410 69.49432 24.50499 4.135162       43.24678 
1 1 1 -17 26 37 o 73.87367 24.94754 203.0868       128.2674 12.09561       401.7956 224.7597       135.3495 72.40488 34.46476 76.99632 25.62227 -4.591431      42.94555 
1 1 1 -17 26 38 o 81.76829 25.57111 257.1549       136.1556 275.0688       402.8296 254.8444       144.6699 82.04696 37.49415 80.84215 26.47222 1.204811       45.89760 
1 1 1 -17 27 1  o 150.7936 12.74589 678.1448       111.6660 578.8328       498.0651 683.4010       114.5830 135.7150 48.92810 151.3226 13.03820 -15.60754      50.63550 
1 1 1 -17 27 2  o 289.4071 8.865300 2470.370       150.2937 3558.977       540.6837 2379.213       156.4598 339.5876 27.38013 283.9077 9.409693 55.67987       28.95192 
1 1 1 -17 27 3  o 58.63015 22.04615 78.86135       102.9134 936.6512       531.3054 45.42308       104.9001 163.8480 50.39434 54.14503 21.70949 109.7029       54.87159 
1 1 1 -17 27 4  o 59.74097 22.43742 82.50820       106.5311 0.000000       0.000000 82.50820       106.5311 ?        ?        59.74097 22.43742 0.000000       22.43742 
1 1 1 -17 27 5  o 93.60725 22.75976 275.7292       123.7205 0.000000       0.000000 275.7292       123.7205 ?        ?        93.60725 22.75976 0.000000       22.75976 
1 1 1 -17 27 6  o 107.3186 17.60100 353.0555       106.9434 0.000000       0.000000 353.0555       106.9434 ?        ?        107.3186 17.60100 0.000000       17.60100 
1 1 1 -17 27 7  o 133.9875 13.77002 538.6279       106.6671 0.000000       0.000000 538.6279       106.6671 ?        ?        133.9875 13.77002 0.000000       13.77002 
1 1 1 -17 27 8  o 292.4903 8.800076 2524.622       150.7836 0.000000       0.000000 2524.622       150.7836 ?        ?        292.4903 8.800076 0.000000       8.800076 
1 1 1 -17 27 9  o 120.5116 14.55671 438.3939       100.8007 0.000000       0.000000 438.3939       100.8007 ?        ?        120.5116 14.55671 0.000000       14.55671 
1 1 1 -17 27 10 o 62.79949 22.55210 103.8850       105.6942 0.000000       0.000000 103.8850       105.6942 ?        ?        62.79949 22.55210 0.000000       22.55210 
1 1 1 -17 27 11 o 84.31518 20.79277 223.6578       102.1629 0.000000       0.000000 223.6578       102.1629 ?        ?        84.31518 20.79277 0.000000       20.79277 
1 1 1 -17 27 12 o 235.4344 10.00486 1641.275       137.8289 0.000000       0.000000 1641.275       137.8289 ?        ?        235.4344 10.00486 0.000000       10.00486 
1 1 1 -17 27 13 f 92.96701 20.06927 271.2242       106.2134 0.000000       0.000000 271.2242       106.2134 ?        ?        92.96701 20.06927 0.000000       20.06927 
1 1 1 -17 27 14 o 96.32788 20.03226 291.0024       109.4770 0.000000       0.000000 291.0024       109.4770 ?        ?        96.32788 20.03226 0.000000       20.03226 
1 1 1 -17 27 15 o 125.1971 16.61439 478.3595       118.9828 0.000000       0.000000 478.3595       118.9828 ?        ?        125.1971 16.61439 0.000000       16.61439 
1 1 1 -17 27 16 o 258.0488 17.78721 2018.101       267.5439 0.000000       0.000000 2018.101       267.5439 ?        ?        258.0488 17.78721 0.000000       17.78721 
1 1 1 -17 27 17 o 365.5892 23.96239 4153.930       510.9442 0.000000       0.000000 4153.930       510.9442 ?        ?        365.5892 23.96239 0.000000       23.96239 
1 1 1 -17 27 18 f 165.9427 12.99222 826.5097       125.4348 0.000000       0.000000 826.5097       125.4348 ?        ?        165.9427 12.99222 0.000000       12.99222 
1 1 1 -17 27 19 o 281.7221 9.434542 2353.331       155.6608 0.000000       0.000000 2353.331       155.6608 ?        ?        281.7221 9.434542 0.000000       9.434542 
1 1 1 -17 27 20 o 262.6807 9.602604 2049.195       147.6849 0.000000       0.000000 2049.195       147.6849 ?        ?        262.6807 9.602604 0.000000       9.602604 
1 1 1 -17 27 21 o 87.32993 21.47938 246.7782       109.2368 0.000000       0.000000 246.7782       109.2368 ?        ?        87.32993 21.47938 0.000000       21.47938 
1 1 1 -17 27 22 o 349.1289 9.020062 3621.710       184.5363 0.000000       0.000000 3621.710       184.5363 ?        ?        349.1289 9.020062 0.000000       9.020062 
1 1 1 -17 27 23 o 62.27678 22.50459 110.0467       105.4441 0.000000       0.000000 110.0467       105.4441 ?        ?        62.27678 22.50459 0.000000       22.50459 
1 1 1 -17 27 24 f 109.0012 17.21232 374.9549       106.3846 0.000000       0.000000 374.9549       106.3846 ?        ?        109.0012 17.21232 0.000000       17.21232 
1 1 1 -17 27 25 f 59.08653 21.96055 95.27940       101.5143 0.000000       0.000000 95.27940       101.5143 ?        ?        59.08653 21.96055 0.000000       21.96055 
1 1 1 -17 27 26 o 98.24018 18.80471 312.3347       104.3994 0.000000       0.000000 312.3347       104.3994 ?        ?        98.24018 18.80471 0.000000       18.80471 
1 1 1 -17 27 27 o 80.11554 22.29546 216.4347       108.5823 0.000000       0.000000 216.4347       108.5823 ?        ?        80.11554 22.29546 0.000000       22.29546 
1 1 1 -17 27 28 o 60.85582 22.59947 106.8551       107.4656 0.000000       0.000000 106.8551       107.4656 ?        ?        60.85582 22.59947 0.000000       22.59947 
1 1 1 -17 27 29 o 80.85772 22.49020 225.0744       110.5190 0.000000       0.000000 225.0744       110.5190 ?        ?        80.85772 22.49020 0.000000       22.49020 
1 1 1 -17 27 30 o 145.7129 14.20081 662.8361       119.8181 0.000000       0.000000 662.8361       119.8181 ?        ?        145.7129 14.20081 0.000000       14.20081 
1 1 1 -17 27 31 o 59.91277 23.21151 99.98691       116.3015 0.000000       0.000000 99.98691       116.3015 ?        ?        59.91277 23.21151 0.000000       23.21151 
1 1 1 -17 27 32 o 72.64206 24.81321 185.1973       126.9278 0.000000       0.000000 185.1973       126.9278 ?        ?        72.64206 24.81321 0.000000       24.81321 
1 1 1 -17 27 33 o 50.59244 22.15216 13.98118       125.2936 0.000000       0.000000 13.98118       125.2936 ?        ?        50.59244 22.15216 0.000000       22.15216 
1 1 1 -17 27 34 f 76.09442 24.74833 211.7826       126.5473 700.1802       538.6188 183.2477       130.1916 103.0126 45.48653 71.60711 25.09652 31.40549       51.95055 
1 1 1 -17 27 35 o 84.57959 24.63884 266.6588       129.6380 267.9048       497.7182 266.5681       134.2726 84.94273 39.79527 84.17936 25.22057 0.7633667      47.11412 
1 1 1 -17 27 36 o 63.10145 24.71696 126.0710       133.0340 38.71642       467.8530 133.7553       138.7620 75.83079 36.39040 64.39877 25.23804 11.43201       44.28566 
1 1 1 -17 27 37 o 60.50632 24.45383 105.4759       134.2458 -329.8721      422.5457 154.3525       141.5813 63.68057 31.41801 66.91280 25.69272 -3.232227      40.58580 
1 1 1 -17 28 1  o 358.9113 9.343657 3803.565       196.5102 3199.052       538.9468 3896.256       211.0387 319.6848 29.06309 363.1031 9.919477 -43.41830      30.70927 
1 1 1 -17 28 2  o 234.8342 9.838630 1631.183       135.2021 3193.705       570.6656 1538.261       139.1642 318.0160 30.98990 227.9109 10.43919 90.10513       32.70093 
1 1 1 -17 28 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 28 4  o 202.8859 11.46948 1222.447       135.9170 0.000000       0.000000 1222.447       135.9170 ?        ?        202.8859 11.46948 0.000000       11.46948 
1 1 1 -17 28 5  o 441.9507 18.68684 5885.608       483.2580 5246.146       617.5438 6895.869       776.2064 412.3267 25.66459 470.4876 28.26084 -58.16098      38.17521 
1 1 1 -17 28 6  o 97.88799 19.38673 298.3155       107.3592 0.000000       0.000000 298.3155       107.3592 ?        ?        97.88799 19.38673 0.000000       19.38673 
1 1 1 -17 28 7  o 50.12894 20.85836 21.41276       101.3580 0.000000       0.000000 21.41276       101.3580 ?        ?        50.12894 20.85836 0.000000       20.85836 
1 1 1 -17 28 8  o 61.02031 21.36292 102.0464       94.31972 0.000000       0.000000 102.0464       94.31972 ?        ?        61.02031 21.36292 0.000000       21.36292 
1 1 1 -17 28 9  o 250.9872 9.398749 1862.899       138.1034 0.000000       0.000000 1862.899       138.1034 ?        ?        250.9872 9.398749 0.000000       9.398749 
1 1 1 -17 28 10 o 195.5727 10.50793 1134.962       120.0821 0.000000       0.000000 1134.962       120.0821 ?        ?        195.5727 10.50793 0.000000       10.50793 
1 1 1 -17 28 11 o 72.85331 23.27174 160.9378       112.2288 0.000000       0.000000 160.9378       112.2288 ?        ?        72.85331 23.27174 0.000000       23.27174 
1 1 1 -17 28 12 o 199.1664 10.44618 1177.325       121.5915 0.000000       0.000000 1177.325       121.5915 ?        ?        199.1664 10.44618 0.000000       10.44618 
1 1 1 -17 28 13 o 222.5636 9.977220 1468.329       129.8998 0.000000       0.000000 1468.329       129.8998 ?        ?        222.5636 9.977220 0.000000       9.977220 
1 1 1 -17 28 14 o 159.1801 12.48824 758.2391       115.6516 0.000000       0.000000 758.2391       115.6516 ?        ?        159.1801 12.48824 0.000000       12.48824 
1 1 1 -17 28 15 o 399.8863 9.279027 4729.035       217.6153 0.000000       0.000000 4729.035       217.6153 ?        ?        399.8863 9.279027 0.000000       9.279027 
1 1 1 -17 28 16 o 137.9358 15.57517 578.7587       123.7960 0.000000       0.000000 578.7587       123.7960 ?        ?        137.9358 15.57517 0.000000       15.57517 
1 1 1 -17 28 17 o 280.0413 10.15881 2329.265       166.5694 0.000000       0.000000 2329.265       166.5694 ?        ?        280.0413 10.15881 0.000000       10.15881 
1 1 1 -17 28 18 o 215.2039 10.55241 1379.644       132.7780 0.000000       0.000000 1379.644       132.7780 ?        ?        215.2039 10.55241 0.000000       10.55241 
1 1 1 -17 28 19 o 181.5225 37.36497 1172.679       384.5170 0.000000       0.000000 1172.679       384.5170 ?        ?        181.5225 37.36497 0.000000       37.36497 
1 1 1 -17 28 20 o 137.1203 14.44266 574.1810       114.4025 0.000000       0.000000 574.1810       114.4025 ?        ?        137.1203 14.44266 0.000000       14.44266 
1 1 1 -17 28 21 o 252.6001 9.404613 1900.933       139.0804 0.000000       0.000000 1900.933       139.0804 ?        ?        252.6001 9.404613 0.000000       9.404613 
1 1 1 -17 28 22 o 147.2932 13.04301 660.2310       111.5074 0.000000       0.000000 660.2310       111.5074 ?        ?        147.2932 13.04301 0.000000       13.04301 
1 1 1 -17 28 23 o 77.18774 22.10364 196.8080       105.1655 0.000000       0.000000 196.8080       105.1655 ?        ?        77.18774 22.10364 0.000000       22.10364 
1 1 1 -17 28 24 o 139.1707 14.17546 596.6655       114.0872 0.000000       0.000000 596.6655       114.0872 ?        ?        139.1707 14.17546 0.000000       14.17546 
1 1 1 -17 28 25 o 121.4723 15.50679 461.2064       107.9559 0.000000       0.000000 461.2064       107.9559 ?        ?        121.4723 15.50679 0.000000       15.50679 
1 1 1 -17 28 26 o 49.40419 20.93518 23.52156       105.0430 0.000000       0.000000 23.52156       105.0430 ?        ?        49.40419 20.93518 0.000000       20.93518 
1 1 1 -17 28 27 o 87.70284 21.75715 261.0608       111.3680 0.000000       0.000000 261.0608       111.3680 ?        ?        87.70284 21.75715 0.000000       21.75715 
1 1 1 -17 28 28 o 52.96077 21.85959 49.72816       110.0810 0.000000       0.000000 49.72816       110.0810 ?        ?        52.96077 21.85959 0.000000       21.85959 
1 1 1 -17 28 29 o 53.39463 22.76742 34.16371       125.5731 0.000000       0.000000 34.16371       125.5731 ?        ?        53.39463 22.76742 0.000000       22.76742 
1 1 1 -17 28 30 o 95.16201 21.94252 312.9862       119.9583 0.000000       0.000000 312.9862       119.9583 ?        ?        95.16201 21.94252 0.000000       21.94252 
1 1 1 -17 28 31 o 75.95020 24.89550 206.4110       127.9355 0.000000       0.000000 206.4110       127.9355 ?        ?        75.95020 24.89550 0.000000       24.89550 
1 1 1 -17 28 32 o 76.45255 25.20934 212.5821       131.1059 0.000000       0.000000 212.5821       131.1059 ?        ?        76.45255 25.20934 0.000000       25.20934 
1 1 1 -17 28 33 o 118.6854 20.13488 479.6723       135.1476 0.000000       0.000000 479.6723       135.1476 ?        ?        118.6854 20.13488 0.000000       20.13488 
1 1 1 -17 28 34 o 59.86418 24.39045 95.18190       134.8064 0.000000       0.000000 95.18190       134.8064 ?        ?        59.86418 24.39045 0.000000       24.39045 
1 1 1 -17 28 35 o 68.79793 25.34291 168.4521       134.6579 15.29779       479.4769 181.5662       140.3046 75.59052 36.41943 70.69283 25.89758 4.897682       44.68848 
1 1 1 -17 28 36 o 57.34085 23.92778 77.49839       133.9422 252.4427       454.9405 60.89476       140.1542 82.02250 38.30295 56.28390 24.02775 25.73860       45.21558 
1 1 1 -17 29 1  o 164.4923 13.22531 809.3483       126.5112 0.000000       0.000000 809.3483       126.5112 ?        ?        164.4923 13.22531 0.000000       13.22531 
1 1 1 -17 29 2  o 289.0940 9.488990 2470.858       160.6648 2719.445       544.8853 2447.187       168.1402 291.2616 32.44896 287.5790 9.984425 3.682556       33.95031 
1 1 1 -17 29 3  o 43.00138 19.56556 -61.26277      108.1751 0.000000       0.000000 -61.26277      108.1751 ?        ?        43.00138 19.56556 0.000000       19.56556 
1 1 1 -17 29 4  o 153.2782 13.76017 704.7954       122.3808 0.000000       0.000000 704.7954       122.3808 ?        ?        153.2782 13.76017 0.000000       13.76017 
1 1 1 -17 29 5  o 158.4385 12.90005 750.8175       118.8315 813.9619       529.2330 747.4650       121.9453 150.5823 50.67459 157.9892 13.28386 -7.406891      52.38678 
1 1 1 -17 29 6  o 208.2083 10.17685 1285.072       123.8923 1772.093       534.9120 1257.465       127.3553 227.8599 41.55880 205.8638 10.58393 21.99611       42.88535 
1 1 1 -17 29 7  o 107.7624 17.42521 357.3429       106.3708 0.000000       0.000000 357.3429       106.3708 ?        ?        107.7624 17.42521 0.000000       17.42521 
1 1 1 -17 29 8  o 98.73694 19.01783 303.8148       106.1317 0.000000       0.000000 303.8148       106.1317 ?        ?        98.73694 19.01783 0.000000       19.01783 
1 1 1 -17 29 9  o 96.10996 19.35996 288.9062       105.3478 0.000000       0.000000 288.9062       105.3478 ?        ?        96.10996 19.35996 0.000000       19.35996 
1 1 1 -17 29 10 o 202.5227 10.80112 1218.619       127.8261 0.000000       0.000000 1218.619       127.8261 ?        ?        202.5227 10.80112 0.000000       10.80112 
1 1 1 -17 29 11 o 136.2647 14.48594 560.9143       113.9939 0.000000       0.000000 560.9143       113.9939 ?        ?        136.2647 14.48594 0.000000       14.48594 
1 1 1 -17 29 12 f 108.0394 17.98102 361.4831       109.9297 0.000000       0.000000 361.4831       109.9297 ?        ?        108.0394 17.98102 0.000000       17.98102 
1 1 1 -17 29 13 o 280.3631 9.737865 2329.917       159.8730 0.000000       0.000000 2329.917       159.8730 ?        ?        280.3631 9.737865 0.000000       9.737865 
1 1 1 -17 29 14 o 103.6820 19.55029 337.6443       114.5210 0.000000       0.000000 337.6443       114.5210 ?        ?        103.6820 19.55029 0.000000       19.55029 
1 1 1 -17 29 15 o 49.51069 21.45160 -5.358136      114.9041 0.000000       0.000000 -5.358136      114.9041 ?        ?        49.51069 21.45160 0.000000       21.45160 
1 1 1 -17 29 16 o 44.82529 20.07264 -38.03732      108.6890 0.000000       0.000000 -38.03732      108.6890 ?        ?        44.82529 20.07264 0.000000       20.07264 
1 1 1 -17 29 17 o 131.1778 15.93989 528.6796       120.1160 0.000000       0.000000 528.6796       120.1160 ?        ?        131.1778 15.93989 0.000000       15.93989 
1 1 1 -17 29 18 f 113.4450 17.50120 402.3017       112.6995 0.000000       0.000000 402.3017       112.6995 ?        ?        113.4450 17.50120 0.000000       17.50120 
1 1 1 -17 29 19 o 77.38731 22.10960 194.9942       105.3406 0.000000       0.000000 194.9942       105.3406 ?        ?        77.38731 22.10960 0.000000       22.10960 
1 1 1 -17 29 20 o 69.58926 22.95757 152.6803       108.7259 0.000000       0.000000 152.6803       108.7259 ?        ?        69.58926 22.95757 0.000000       22.95757 
1 1 1 -17 29 21 o 59.63618 28.66402 -302.9271      292.8941 0.000000       0.000000 -302.9271      292.8941 ?        ?        59.63618 28.66402 0.000000       28.66402 
1 1 1 -17 29 22 o 78.01428 22.29112 202.1109       107.0718 0.000000       0.000000 202.1109       107.0718 ?        ?        78.01428 22.29112 0.000000       22.29112 
1 1 1 -17 29 23 f 88.69935 20.25227 259.0477       103.0294 0.000000       0.000000 259.0477       103.0294 ?        ?        88.69935 20.25227 0.000000       20.25227 
1 1 1 -17 29 24 o 70.45644 22.59102 162.8004       105.6845 0.000000       0.000000 162.8004       105.6845 ?        ?        70.45644 22.59102 0.000000       22.59102 
1 1 1 -17 29 25 o 115.6206 17.43656 427.4978       114.5619 0.000000       0.000000 427.4978       114.5619 ?        ?        115.6206 17.43656 0.000000       17.43656 
1 1 1 -17 29 26 o 128.1863 15.60399 518.0712       114.8940 0.000000       0.000000 518.0712       114.8940 ?        ?        128.1863 15.60399 0.000000       15.60399 
1 1 1 -17 29 27 o 51.65426 21.71598 37.14605       111.5812 0.000000       0.000000 37.14605       111.5812 ?        ?        51.65426 21.71598 0.000000       21.71598 
1 1 1 -17 29 28 o 90.95900 21.86618 284.8706       115.2005 0.000000       0.000000 284.8706       115.2005 ?        ?        90.95900 21.86618 0.000000       21.86618 
1 1 1 -17 29 29 o 148.2275 14.87668 692.8083       127.5794 0.000000       0.000000 692.8083       127.5794 ?        ?        148.2275 14.87668 0.000000       14.87668 
1 1 1 -17 29 30 o 55.13884 23.43296 47.40070       132.2519 0.000000       0.000000 47.40070       132.2519 ?        ?        55.13884 23.43296 0.000000       23.43296 
1 1 1 -17 29 31 o 131.5822 18.14424 571.3210       136.2956 0.000000       0.000000 571.3210       136.2956 ?        ?        131.5822 18.14424 0.000000       18.14424 
1 1 1 -17 29 32 o 174.1955 14.24874 958.6926       144.2965 0.000000       0.000000 958.6926       144.2965 ?        ?        174.1955 14.24874 0.000000       14.24874 
1 1 1 -17 29 33 o 85.52463 25.88071 278.2886       140.8814 0.000000       0.000000 278.2886       140.8814 ?        ?        85.52463 25.88071 0.000000       25.88071 
1 1 1 -17 29 34 o 80.30823 26.83634 250.3459       148.4520 0.000000       0.000000 250.3459       148.4520 ?        ?        80.30823 26.83634 0.000000       26.83634 
1 1 1 -17 29 35 o 78.00858 27.14627 236.9220       152.1696 0.000000       0.000000 236.9220       152.1696 ?        ?        78.00858 27.14627 0.000000       27.14627 
1 1 1 -17 30 1  o 55.07834 22.83312 31.21906       120.8240 349.0865       447.6324 6.240789       125.4815 114.0673 45.13682 53.22279 22.72850 60.84448       50.53630 
1 1 1 -17 30 2  o 50.95565 21.73512 5.834943       114.5157 -170.9654      480.4966 16.48199       117.9134 89.26392 40.85156 52.82750 22.27294 36.43642       46.52885 
1 1 1 -17 30 3  o 38.65361 18.20499 -110.8236      106.5808 -1051.212      493.6469 -64.84413      109.1553 66.04375 32.82449 42.86757 19.56222 23.17619       38.21161 
1 1 1 -17 30 4  o 129.0264 18.68788 512.4780       137.3004 781.4911       503.1299 490.8325       142.7173 147.0747 49.40850 125.7954 20.01453 21.27930       53.30836 
1 1 1 -17 30 5  o 245.8375 9.850483 1790.348       141.7346 1295.952       502.1035 1833.153       147.7431 190.2397 45.59734 248.6860 10.15124 -58.44630      46.71365 
1 1 1 -17 30 6  o 179.0835 11.22264 954.7991       117.2769 2577.272       523.9055 869.2092       120.3305 282.1223 32.24224 170.6235 12.10360 111.4988       34.43922 
1 1 1 -17 30 7  o 44.15662 19.77640 -40.32391      105.5506 0.000000       0.000000 -40.32391      105.5506 ?        ?        44.15662 19.77640 0.000000       19.77640 
1 1 1 -17 30 8  o 77.28700 22.41734 187.9859       107.5238 0.000000       0.000000 187.9859       107.5238 ?        ?        77.28700 22.41734 0.000000       22.41734 
1 1 1 -17 30 9  o 206.3168 10.50022 1265.003       126.6348 0.000000       0.000000 1265.003       126.6348 ?        ?        206.3168 10.50022 0.000000       10.50022 
1 1 1 -17 30 10 o 180.8043 11.61792 975.7247       122.5415 0.000000       0.000000 975.7247       122.5415 ?        ?        180.8043 11.61792 0.000000       11.61792 
1 1 1 -17 30 11 o 206.2515 11.05238 1267.229       133.2032 0.000000       0.000000 1267.229       133.2032 ?        ?        206.2515 11.05238 0.000000       11.05238 
1 1 1 -17 30 12 o 162.7643 12.87057 795.9343       121.8598 0.000000       0.000000 795.9343       121.8598 ?        ?        162.7643 12.87057 0.000000       12.87057 
1 1 1 -17 30 13 o 58.98004 22.37906 82.73320       106.5960 0.000000       0.000000 82.73320       106.5960 ?        ?        58.98004 22.37906 0.000000       22.37906 
1 1 1 -17 30 14 o 69.35299 23.21947 145.5996       111.1261 0.000000       0.000000 145.5996       111.1261 ?        ?        69.35299 23.21947 0.000000       23.21947 
1 1 1 -17 30 15 o 120.0775 16.21790 445.2083       111.2935 0.000000       0.000000 445.2083       111.2935 ?        ?        120.0775 16.21790 0.000000       16.21790 
1 1 1 -17 30 16 o 185.9341 11.54028 1037.751       125.2217 0.000000       0.000000 1037.751       125.2217 ?        ?        185.9341 11.54028 0.000000       11.54028 
1 1 1 -17 30 17 o 57.96199 22.47366 77.59007       109.0908 0.000000       0.000000 77.59007       109.0908 ?        ?        57.96199 22.47366 0.000000       22.47366 
1 1 1 -17 30 18 o 107.3770 18.44901 366.4057       111.9955 0.000000       0.000000 366.4057       111.9955 ?        ?        107.3770 18.44901 0.000000       18.44901 
1 1 1 -17 30 19 o 136.4872 14.35670 572.5731       113.2016 0.000000       0.000000 572.5731       113.2016 ?        ?        136.4872 14.35670 0.000000       14.35670 
1 1 1 -17 30 20 o 81.59325 21.21912 220.0674       102.4784 0.000000       0.000000 220.0674       102.4784 ?        ?        81.59325 21.21912 0.000000       21.21912 
1 1 1 -17 30 21 o 92.29984 19.67075 278.2047       103.2227 0.000000       0.000000 278.2047       103.2227 ?        ?        92.29984 19.67075 0.000000       19.67075 
1 1 1 -17 30 22 o 125.0815 14.11789 483.7363       101.7576 0.000000       0.000000 483.7363       101.7576 ?        ?        125.0815 14.11789 0.000000       14.11789 
1 1 1 -17 30 23 o 47.00458 20.61153 -5.213783      108.8287 0.000000       0.000000 -5.213783      108.8287 ?        ?        47.00458 20.61153 0.000000       20.61153 
1 1 1 -17 30 24 o 133.0753 15.31318 555.1795       117.3364 0.000000       0.000000 555.1795       117.3364 ?        ?        133.0753 15.31318 0.000000       15.31318 
1 1 1 -17 30 25 o 109.1267 18.75584 389.4348       115.7125 0.000000       0.000000 389.4348       115.7125 ?        ?        109.1267 18.75584 0.000000       18.75584 
1 1 1 -17 30 26 o 86.97650 22.57512 261.9113       116.1452 0.000000       0.000000 261.9113       116.1452 ?        ?        86.97650 22.57512 0.000000       22.57512 
1 1 1 -17 30 27 o 119.4163 16.96311 459.7424       115.4625 0.000000       0.000000 459.7424       115.4625 ?        ?        119.4163 16.96311 0.000000       16.96311 
1 1 1 -17 30 28 o 59.75044 23.77076 93.65640       124.7825 0.000000       0.000000 93.65640       124.7825 ?        ?        59.75044 23.77076 0.000000       23.77076 
1 1 1 -17 30 29 o 145.0696 16.58045 678.6184       138.5357 0.000000       0.000000 678.6184       138.5357 ?        ?        145.0696 16.58045 0.000000       16.58045 
1 1 1 -17 30 30 o 75.37255 25.86967 207.1248       138.0055 0.000000       0.000000 207.1248       138.0055 ?        ?        75.37255 25.86967 0.000000       25.86967 
1 1 1 -17 30 31 o 50.38113 22.45768 -1.291766      134.4167 0.000000       0.000000 -1.291766      134.4167 ?        ?        50.38113 22.45768 0.000000       22.45768 
1 1 1 -17 30 32 o 55.49062 23.45688 59.31779       131.3381 0.000000       0.000000 59.31779       131.3381 ?        ?        55.49062 23.45688 0.000000       23.45688 
1 1 1 -17 30 33 o 42.93810 20.54560 -135.3912      146.7531 0.000000       0.000000 -135.3912      146.7531 ?        ?        42.93810 20.54560 0.000000       20.54560 
1 1 1 -17 30 34 o 60.24576 25.30938 89.44684       151.3901 0.000000       0.000000 89.44684       151.3901 ?        ?        60.24576 25.30938 0.000000       25.30938 
1 1 1 -17 31 1  o 191.9814 12.88034 1103.178       144.1839 1789.791       447.3969 1023.601       152.3102 232.6975 33.76844 184.4954 14.18526 48.20210       36.62690 
1 1 1 -17 31 2  o 281.7233 32.15112 2588.314       521.7154 2588.314       521.7154 0.000000       0.000000 281.7233 32.15112 ?        ?        0.000000       32.15112 
1 1 1 -17 31 3  o 158.0307 14.59901 753.8770       133.7767 0.000000       0.000000 753.8770       133.7767 ?        ?        158.0307 14.59901 0.000000       14.59901 
1 1 1 -17 31 4  o 200.2565 19.91151 1233.729       230.7573 2384.260       550.6203 988.6060       254.1530 266.5453 36.15461 176.5517 25.26493 89.99361       44.10751 
1 1 1 -17 31 5  o 183.5104 12.67329 1008.415       135.5580 0.000000       0.000000 1008.415       135.5580 ?        ?        183.5104 12.67329 0.000000       12.67329 
1 1 1 -17 31 6  o 153.0532 13.32434 704.7517       118.4112 1131.895       491.1355 678.3906       122.0103 173.7709 47.04708 149.9340 14.03867 23.83691       49.09697 
1 1 1 -17 31 7  o 161.3757 12.59791 781.2507       118.2863 974.5560       503.0706 769.9383       121.6982 159.1781 49.05119 160.0568 13.07853 -0.8787537     50.76483 
1 1 1 -17 31 8  o 246.3706 9.511657 1800.487       137.1763 2427.687       494.0721 1748.100       142.7902 271.7772 31.58521 242.5907 10.05812 29.18651       33.14802 
1 1 1 -17 31 9  o 120.9179 17.27134 451.4376       119.0046 0.000000       0.000000 451.4376       119.0046 ?        ?        120.9179 17.27134 0.000000       17.27134 
1 1 1 -17 31 10 o 103.1026 20.15954 336.9342       117.5292 0.000000       0.000000 336.9342       117.5292 ?        ?        103.1026 20.15954 0.000000       20.15954 
1 1 1 -17 31 11 o 60.82455 22.54772 95.65919       106.8864 0.000000       0.000000 95.65919       106.8864 ?        ?        60.82455 22.54772 0.000000       22.54772 
1 1 1 -17 31 12 o 159.0048 12.48474 761.6422       115.4903 0.000000       0.000000 761.6422       115.4903 ?        ?        159.0048 12.48474 0.000000       12.48474 
1 1 1 -17 31 13 o 124.9051 15.43193 479.7865       110.6432 0.000000       0.000000 479.7865       110.6432 ?        ?        124.9051 15.43193 0.000000       15.43193 
1 1 1 -17 31 14 o 50.28683 21.07595 24.52369       104.5997 0.000000       0.000000 24.52369       104.5997 ?        ?        50.28683 21.07595 0.000000       21.07595 
1 1 1 -17 31 15 o 113.1621 16.82457 400.4243       108.2673 0.000000       0.000000 400.4243       108.2673 ?        ?        113.1621 16.82457 0.000000       16.82457 
1 1 1 -17 31 16 o 191.5818 11.79075 1106.602       131.8370 0.000000       0.000000 1106.602       131.8370 ?        ?        191.5818 11.79075 0.000000       11.79075 
1 1 1 -17 31 17 o 105.0625 18.74896 353.1556       111.2864 0.000000       0.000000 353.1556       111.2864 ?        ?        105.0625 18.74896 0.000000       18.74896 
1 1 1 -17 31 18 o 184.5123 15.36146 1050.622       164.7231 0.000000       0.000000 1050.622       164.7231 ?        ?        184.5123 15.36146 0.000000       15.36146 
1 1 1 -17 31 19 o 94.54469 20.45956 293.5812       110.1455 0.000000       0.000000 293.5812       110.1455 ?        ?        94.54469 20.45956 0.000000       20.45956 
1 1 1 -17 31 20 f 112.8859 18.02769 407.2897       115.3394 0.000000       0.000000 407.2897       115.3394 ?        ?        112.8859 18.02769 0.000000       18.02769 
1 1 1 -17 31 21 o 48.25218 20.68583 13.55690       104.6761 0.000000       0.000000 13.55690       104.6761 ?        ?        48.25218 20.68583 0.000000       20.68583 
1 1 1 -17 31 22 o 117.1130 17.25146 437.9756       114.9442 0.000000       0.000000 437.9756       114.9442 ?        ?        117.1130 17.25146 0.000000       17.25146 
1 1 1 -17 31 23 o 114.0268 17.06818 416.7513       110.6367 0.000000       0.000000 416.7513       110.6367 ?        ?        114.0268 17.06818 0.000000       17.06818 
1 1 1 -17 31 24 o 57.24422 22.63214 80.51194       112.4515 0.000000       0.000000 80.51194       112.4515 ?        ?        57.24422 22.63214 0.000000       22.63214 
1 1 1 -17 31 25 o 85.33635 22.24235 251.9486       112.4327 0.000000       0.000000 251.9486       112.4327 ?        ?        85.33635 22.24235 0.000000       22.24235 
1 1 1 -17 31 26 o 59.90427 28.78297 -220.5834      294.7484 0.000000       0.000000 -220.5834      294.7484 ?        ?        59.90427 28.78297 0.000000       28.78297 
1 1 1 -17 31 27 o 49.74912 21.74540 10.77497       120.2778 0.000000       0.000000 10.77497       120.2778 ?        ?        49.74912 21.74540 0.000000       21.74540 
1 1 1 -17 31 28 o 86.68317 25.13283 276.0342       135.1752 0.000000       0.000000 276.0342       135.1752 ?        ?        86.68317 25.13283 0.000000       25.13283 
1 1 1 -17 31 29 f 55.07169 23.26438 54.42132       129.0512 0.000000       0.000000 54.42132       129.0512 ?        ?        55.07169 23.26438 0.000000       23.26438 
1 1 1 -17 31 30 o 155.3025 16.06585 778.3607       144.2192 0.000000       0.000000 778.3607       144.2192 ?        ?        155.3025 16.06585 0.000000       16.06585 
1 1 1 -17 31 31 f 84.05273 25.66800 268.5836       138.1485 0.000000       0.000000 268.5836       138.1485 ?        ?        84.05273 25.66800 0.000000       25.66800 
1 1 1 -17 31 32 o 78.90601 26.66738 240.4044       146.5626 0.000000       0.000000 240.4044       146.5626 ?        ?        78.90601 26.66738 0.000000       26.66738 
1 1 1 -17 31 33 o 63.81137 25.80414 124.7868       149.5754 0.000000       0.000000 124.7868       149.5754 ?        ?        63.81137 25.80414 0.000000       25.80414 
1 1 1 -17 32 1  o 78.69111 24.99658 194.7337       129.6281 -205.7567      408.2259 239.6442       136.7032 78.82141 36.63145 86.14838 25.35833 -7.326965      44.55231 
1 1 1 -17 32 2  o 58.16881 23.67960 52.59121       126.9342 -610.1270      432.3712 115.0963       132.7853 68.27605 33.28683 66.98653 25.07268 1.289520       41.67316 
1 1 1 -17 32 3  o 126.6997 18.51442 498.9228       133.5121 0.000000       0.000000 498.9228       133.5121 ?        ?        126.6997 18.51442 0.000000       18.51442 
1 1 1 -17 32 4  o 43.21226 19.83112 -71.53236      114.2941 2.614975       480.1026 -75.98701      117.6773 93.57370 42.02211 43.62945 20.05927 49.94425       46.56428 
1 1 1 -17 32 5  o 62.64441 23.53408 98.48718       117.2158 1268.039       498.3905 30.00702       120.5986 181.5641 46.58000 54.34169 22.69258 127.2224       51.81361 
1 1 1 -17 32 6  o 166.7896 12.35514 836.0068       119.9975 1104.287       511.2625 820.3662       123.4458 165.9149 49.09324 165.0498 12.85425 0.8651276      50.74818 
1 1 1 -17 32 7  o 290.6112 8.927215 2505.061       151.9720 2212.130       501.2309 2534.715       159.4790 254.0395 34.53581 292.1791 9.318793 -38.13954      35.77097 
1 1 1 -17 32 8  o 47.98260 20.80238 -3.877158      108.1898 0.000000       0.000000 -3.877158      108.1898 ?        ?        47.98260 20.80238 0.000000       20.80238 
1 1 1 -17 32 9  o 203.1441 10.63829 1233.053       126.3021 1279.820       489.9698 1229.724       130.7198 179.8588 46.20693 202.7259 11.03628 -22.86714      47.50663 
1 1 1 -17 32 10 o 194.5213 11.18855 1133.933       127.1029 0.000000       0.000000 1133.933       127.1029 ?        ?        194.5213 11.18855 0.000000       11.18855 
1 1 1 -17 32 11 o 186.7281 11.18397 1046.151       121.9162 0.000000       0.000000 1046.151       121.9162 ?        ?        186.7281 11.18397 0.000000       11.18397 
1 1 1 -17 32 12 o 282.0146 9.454735 2369.396       156.1554 0.000000       0.000000 2369.396       156.1554 ?        ?        282.0146 9.454735 0.000000       9.454735 
1 1 1 -17 32 13 o 155.8493 12.38202 735.4781       112.2444 0.000000       0.000000 735.4781       112.2444 ?        ?        155.8493 12.38202 0.000000       12.38202 
1 1 1 -17 32 14 o 115.3370 16.55036 416.4266       108.7475 0.000000       0.000000 416.4266       108.7475 ?        ?        115.3370 16.55036 0.000000       16.55036 
1 1 1 -17 32 15 o 231.5890 9.761180 1603.880       132.2805 0.000000       0.000000 1603.880       132.2805 ?        ?        231.5890 9.761180 0.000000       9.761180 
1 1 1 -17 32 16 o 102.0104 20.22308 339.0151       116.7118 0.000000       0.000000 339.0151       116.7118 ?        ?        102.0104 20.22308 0.000000       20.22308 
1 1 1 -17 32 17 o 82.86841 22.24424 229.6969       110.3626 0.000000       0.000000 229.6969       110.3626 ?        ?        82.86841 22.24424 0.000000       22.24424 
1 1 1 -17 32 18 o 110.9884 17.80868 393.2433       112.0010 0.000000       0.000000 393.2433       112.0010 ?        ?        110.9884 17.80868 0.000000       17.80868 
1 1 1 -17 32 19 o 44.16763 19.94751 -37.82112      109.9412 0.000000       0.000000 -37.82112      109.9412 ?        ?        44.16763 19.94751 0.000000       19.94751 
1 1 1 -17 32 20 o 68.57520 24.15306 149.6826       120.6901 0.000000       0.000000 149.6826       120.6901 ?        ?        68.57520 24.15306 0.000000       24.15306 
1 1 1 -17 32 21 o 59.31899 23.19978 90.00724       117.0540 0.000000       0.000000 90.00724       117.0540 ?        ?        59.31899 23.19978 0.000000       23.19978 
1 1 1 -17 32 22 o 44.08708 19.95052 -35.95702      110.6170 0.000000       0.000000 -35.95702      110.6170 ?        ?        44.08708 19.95052 0.000000       19.95052 
1 1 1 -17 32 23 o 46.61006 20.72335 -14.02911      113.7054 0.000000       0.000000 -14.02911      113.7054 ?        ?        46.61006 20.72335 0.000000       20.72335 
1 1 1 -17 32 24 o 139.0078 15.47317 611.8613       124.0091 0.000000       0.000000 611.8613       124.0091 ?        ?        139.0078 15.47317 0.000000       15.47317 
1 1 1 -17 32 25 o 131.8178 17.26091 562.5898       130.2379 0.000000       0.000000 562.5898       130.2379 ?        ?        131.8178 17.26091 0.000000       17.26091 
1 1 1 -17 32 26 o 61.25694 24.30033 103.3954       130.0467 0.000000       0.000000 103.3954       130.0467 ?        ?        61.25694 24.30033 0.000000       24.30033 
1 1 1 -17 32 27 o 122.0893 19.60999 501.1755       135.6593 0.000000       0.000000 501.1755       135.6593 ?        ?        122.0893 19.60999 0.000000       19.60999 
1 1 1 -17 32 28 o 151.4661 21.56794 789.9082       186.1836 0.000000       0.000000 789.9082       186.1836 ?        ?        151.4661 21.56794 0.000000       21.56794 
1 1 1 -17 32 29 o 81.62421 26.51761 253.4459       145.3098 0.000000       0.000000 253.4459       145.3098 ?        ?        81.62421 26.51761 0.000000       26.51761 
1 1 1 -17 32 30 f 112.4724 23.83737 460.4726       152.3465 0.000000       0.000000 460.4726       152.3465 ?        ?        112.4724 23.83737 0.000000       23.83737 
1 1 1 -17 32 31 o 139.4975 20.38149 670.0587       161.8231 0.000000       0.000000 670.0587       161.8231 ?        ?        139.4975 20.38149 0.000000       20.38149 
1 1 1 -17 32 32 o 52.77086 23.58327 10.10196       149.2284 0.000000       0.000000 10.10196       149.2284 ?        ?        52.77086 23.58327 0.000000       23.58327 
1 1 1 -17 33 1  o 232.4199 11.53747 1618.530       156.7743 0.000000       0.000000 1618.530       156.7743 ?        ?        232.4199 11.53747 0.000000       11.53747 
1 1 1 -17 33 2  o 141.9589 15.50187 618.1509       126.9665 1603.157       435.7602 526.7708       132.7253 212.8495 36.20299 129.9769 17.88521 82.87259       40.37991 
1 1 1 -17 33 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 33 4  o 95.75183 22.56859 299.6765       124.6501 777.0012       430.7822 256.0592       130.2208 138.8612 45.69178 88.08871 24.37911 50.77245       51.78880 
1 1 1 -17 33 5  o 88.66319 22.55260 257.5264       117.5282 0.000000       0.000000 257.5264       117.5282 ?        ?        88.66319 22.55260 0.000000       22.55260 
1 1 1 -17 33 6  o 174.9037 11.96748 921.2756       122.0189 1199.649       452.1067 899.4057       126.7214 174.2386 44.18605 172.5574 12.60880 1.681183       45.94985 
1 1 1 -17 33 7  o 44.59756 20.11717 -43.22855      111.4243 661.3815       442.5640 -90.91524      115.1331 127.3693 46.09431 41.56346 19.36256 85.80585       49.99594 
1 1 1 -17 33 8  o 171.0519 12.42837 884.3475       123.8283 1828.438       480.3611 817.1457       128.1597 223.0355 38.08999 163.9748 13.44470 59.06068       40.39316 
1 1 1 -17 33 9  o 126.5723 16.97102 500.3618       122.8070 0.000000       0.000000 500.3618       122.8070 ?        ?        126.5723 16.97102 0.000000       16.97102 
1 1 1 -17 33 10 o 53.43244 21.59914 51.07045       104.7551 -1172.595      449.1791 121.4524       107.7256 56.75282 28.63530 64.24967 22.80148 -7.496857      36.60448 
1 1 1 -17 33 11 o 44.98036 20.07342 -28.09539      107.7144 0.000000       0.000000 -28.09539      107.7144 ?        ?        44.98036 20.07342 0.000000       20.07342 
1 1 1 -17 33 12 o 229.6174 9.953862 1577.910       133.7255 0.000000       0.000000 1577.910       133.7255 ?        ?        229.6174 9.953862 0.000000       9.953862 
1 1 1 -17 33 13 o 89.47128 20.98879 263.8695       108.2212 0.000000       0.000000 263.8695       108.2212 ?        ?        89.47128 20.98879 0.000000       20.98879 
1 1 1 -17 33 14 o 162.6803 12.52697 805.0343       118.5976 0.000000       0.000000 805.0343       118.5976 ?        ?        162.6803 12.52697 0.000000       12.52697 
1 1 1 -17 33 15 o 42.46488 19.50866 -62.16416      111.0070 0.000000       0.000000 -62.16416      111.0070 ?        ?        42.46488 19.50866 0.000000       19.50866 
1 1 1 -17 33 16 o 49.68055 21.46479 8.799576       114.4004 0.000000       0.000000 8.799576       114.4004 ?        ?        49.68055 21.46479 0.000000       21.46479 
1 1 1 -17 33 17 o 107.5340 20.21618 379.5938       122.8166 0.000000       0.000000 379.5938       122.8166 ?        ?        107.5340 20.21618 0.000000       20.21618 
1 1 1 -17 33 18 o 87.96366 22.23904 262.6993       114.7735 0.000000       0.000000 262.6993       114.7735 ?        ?        87.96366 22.23904 0.000000       22.23904 
1 1 1 -17 33 19 o 83.45031 22.95342 239.6353       115.8351 0.000000       0.000000 239.6353       115.8351 ?        ?        83.45031 22.95342 0.000000       22.95342 
1 1 1 -17 33 20 o 57.92793 23.06382 80.38271       117.5608 0.000000       0.000000 80.38271       117.5608 ?        ?        57.92793 23.06382 0.000000       23.06382 
1 1 1 -17 33 21 o 52.35684 21.85451 43.04031       111.7856 0.000000       0.000000 43.04031       111.7856 ?        ?        52.35684 21.85451 0.000000       21.85451 
1 1 1 -17 33 22 o 87.27930 23.10097 266.6849       120.0771 0.000000       0.000000 266.6849       120.0771 ?        ?        87.27930 23.10097 0.000000       23.10097 
1 1 1 -17 33 23 o 104.2976 21.18454 370.6779       125.1546 0.000000       0.000000 370.6779       125.1546 ?        ?        104.2976 21.18454 0.000000       21.18454 
1 1 1 -17 33 24 o 40.87025 19.30310 -101.8431      121.3671 0.000000       0.000000 -101.8431      121.3671 ?        ?        40.87025 19.30310 0.000000       19.30310 
1 1 1 -17 33 25 o 49.21983 22.08005 -14.83541      132.1591 0.000000       0.000000 -14.83541      132.1591 ?        ?        49.21983 22.08005 0.000000       22.08005 
1 1 1 -17 33 26 o 140.3548 16.96669 641.2817       136.8298 0.000000       0.000000 641.2817       136.8298 ?        ?        140.3548 16.96669 0.000000       16.96669 
1 1 1 -17 33 27 o 190.5602 14.27427 1146.659       158.3687 0.000000       0.000000 1146.659       158.3687 ?        ?        190.5602 14.27427 0.000000       14.27427 
1 1 1 -17 33 28 o 55.36439 24.36123 29.09737       153.2271 0.000000       0.000000 29.09737       153.2271 ?        ?        55.36439 24.36123 0.000000       24.36123 
1 1 1 -17 33 29 f 71.58442 27.50100 184.8530       162.2708 0.000000       0.000000 184.8530       162.2708 ?        ?        71.58442 27.50100 0.000000       27.50100 
1 1 1 -17 33 30 o 72.33139 28.22034 191.0316       172.8549 0.000000       0.000000 191.0316       172.8549 ?        ?        72.33139 28.22034 0.000000       28.22034 
1 1 1 -17 33 31 o 84.01094 35.21641 323.9790       292.1212 0.000000       0.000000 323.9790       292.1212 ?        ?        84.01094 35.21641 0.000000       35.21641 
1 1 1 -17 34 1  o 163.7771 15.13363 823.7907       143.7172 1550.653       447.9256 740.3766       151.7397 203.4000 38.96770 154.2628 17.05665 49.13715       42.53717 
1 1 1 -17 34 2  o 64.84418 24.93152 106.8793       133.4387 161.1837       432.5078 101.1665       140.2821 93.54207 41.05194 64.90736 25.39400 28.63471       48.27128 
1 1 1 -17 34 3  o 46.00613 21.18773 -78.24979      132.0675 58.85307       430.2272 -92.51327      138.7674 88.32619 39.71313 46.33492 21.47287 41.99128       45.14661 
1 1 1 -17 34 4  o 135.0142 18.18905 573.9962       140.3653 1069.465       443.7090 518.8986       147.9642 160.1868 45.24747 127.0966 20.55159 33.09016       49.69609 
1 1 1 -17 34 5  o 195.6321 15.55609 1177.368       177.0119 1953.956       448.7183 1034.245       192.6340 234.5125 33.58293 181.6465 18.33297 52.86604       38.26109 
1 1 1 -17 34 6  o 196.6594 11.47178 1164.975       131.7366 2202.784       461.2864 1072.816       137.4614 250.5822 32.12659 188.2154 12.52429 62.36679       34.48153 
1 1 1 -17 34 7  o 91.73957 21.90287 278.2052       116.2104 1676.928       464.2107 184.6863       120.0325 209.9803 39.13462 75.24098 24.07071 134.7393       45.94473 
1 1 1 -17 34 8  o 85.32262 21.48861 240.5694       107.4520 790.5035       452.8618 207.7619       110.6107 133.4014 46.80238 79.15821 22.66888 54.24314       52.00328 
1 1 1 -17 34 9  o 57.93072 22.68602 77.77034       112.0469 -609.5751      440.5671 125.3029       115.8564 66.02425 32.47869 65.28162 23.58969 0.7426300      40.14149 
1 1 1 -17 34 10 o 113.0589 18.00477 406.8268       115.3830 610.5507       456.8859 392.9486       119.2483 118.5601 45.98589 110.5620 19.07987 7.998024       49.78698 
1 1 1 -17 34 11 o 162.0999 12.83096 800.8759       120.9868 1466.530       456.8785 750.6765       125.4660 190.1823 42.07755 156.4371 13.81716 33.74519       44.28808 
1 1 1 -17 34 12 o 57.58828 22.90992 72.80105       115.9051 0.000000       0.000000 72.80105       115.9051 ?        ?        57.58828 22.90992 0.000000       22.90992 
1 1 1 -17 34 13 o 82.48548 22.74965 229.2986       113.6137 0.000000       0.000000 229.2986       113.6137 ?        ?        82.48548 22.74965 0.000000       22.74965 
1 1 1 -17 34 14 o 51.68216 21.79280 30.29221       112.9073 0.000000       0.000000 30.29221       112.9073 ?        ?        51.68216 21.79280 0.000000       21.79280 
1 1 1 -17 34 15 o 76.47833 23.25216 197.7205       113.5338 0.000000       0.000000 197.7205       113.5338 ?        ?        76.47833 23.25216 0.000000       23.25216 
1 1 1 -17 34 16 o 113.1767 18.06135 413.1080       115.8559 0.000000       0.000000 413.1080       115.8559 ?        ?        113.1767 18.06135 0.000000       18.06135 
1 1 1 -17 34 17 f 53.42524 22.09775 48.84218       112.8140 0.000000       0.000000 48.84218       112.8140 ?        ?        53.42524 22.09775 0.000000       22.09775 
1 1 1 -17 34 18 o 204.0922 11.44509 1267.656       136.4434 0.000000       0.000000 1267.656       136.4434 ?        ?        204.0922 11.44509 0.000000       11.44509 
1 1 1 -17 34 19 o 61.33915 23.24469 108.4141       114.9145 0.000000       0.000000 108.4141       114.9145 ?        ?        61.33915 23.24469 0.000000       23.24469 
1 1 1 -17 34 20 o 50.83097 21.78303 24.83689       115.9928 0.000000       0.000000 24.83689       115.9928 ?        ?        50.83097 21.78303 0.000000       21.78303 
1 1 1 -17 34 21 o 72.65810 24.48567 182.6281       123.5623 0.000000       0.000000 182.6281       123.5623 ?        ?        72.65810 24.48567 0.000000       24.48567 
1 1 1 -17 34 22 o 90.96535 23.84132 295.6720       128.7091 0.000000       0.000000 295.6720       128.7091 ?        ?        90.96535 23.84132 0.000000       23.84132 
1 1 1 -17 34 23 o 45.78953 21.03032 -51.20375      128.8790 0.000000       0.000000 -51.20375      128.8790 ?        ?        45.78953 21.03032 0.000000       21.03032 
1 1 1 -17 34 24 o 50.30266 22.26365 3.683542       129.7624 0.000000       0.000000 3.683542       129.7624 ?        ?        50.30266 22.26365 0.000000       22.26365 
1 1 1 -17 34 25 o 52.64792 23.12265 18.39243       137.4514 0.000000       0.000000 18.39243       137.4514 ?        ?        52.64792 23.12265 0.000000       23.12265 
1 1 1 -17 34 26 o 57.56156 24.20597 69.08699       138.6947 0.000000       0.000000 69.08699       138.6947 ?        ?        57.56156 24.20597 0.000000       24.20597 
1 1 1 -17 34 27 o 53.86028 23.66988 26.30448       144.2396 0.000000       0.000000 26.30448       144.2396 ?        ?        53.86028 23.66988 0.000000       23.66988 
1 1 1 -17 34 28 o 63.35612 25.55636 120.6938       146.3114 0.000000       0.000000 120.6938       146.3114 ?        ?        63.35612 25.55636 0.000000       25.55636 
1 1 1 -17 34 29 o 51.51757 23.72698 -38.52858      165.6447 0.000000       0.000000 -38.52858      165.6447 ?        ?        51.51757 23.72698 0.000000       23.72698 
1 1 1 -17 35 1  o 107.0766 21.91778 377.9928       132.9997 633.0367       389.2026 344.2723       141.5191 122.6285 43.35738 100.9604 24.21328 21.66805       49.66030 
1 1 1 -17 35 2  o 134.8389 22.58601 597.2479       172.2988 1043.958       461.0453 524.7320       185.7580 153.2889 46.90656 123.8587 26.38103 29.43021       53.81620 
1 1 1 -17 35 3  o 184.6972 13.27026 1039.758       142.7861 1022.975       463.6027 1041.517       150.0817 151.0190 47.17872 184.4759 13.97593 -33.45689      49.20527 
1 1 1 -17 35 4  o 112.5202 20.58840 412.0137       130.8586 326.3900       467.5439 419.2912       136.3063 101.4202 43.60233 113.1452 21.32329 -11.72501      48.53706 
1 1 1 -17 35 5  o 157.3391 14.78369 763.4813       134.8192 1872.930       444.5266 651.0929       141.4832 226.1452 34.61632 144.0216 17.08278 82.12363       38.60195 
1 1 1 -17 35 6  o 114.4549 19.23899 421.5497       124.5651 387.0945       414.1744 424.9762       130.6123 103.2170 42.48145 114.4320 20.20024 -11.21499      47.03959 
1 1 1 -17 35 7  o 114.5580 17.95217 418.0182       116.6535 1348.401       428.1155 343.4008       121.2412 183.5053 40.83236 102.2061 20.93146 81.29917       45.88472 
1 1 1 -17 35 8  o 41.74401 19.35456 -76.66334      112.9419 -218.5715      418.0904 -65.49251      117.3030 74.34777 35.32303 43.55905 20.02706 30.78872       40.60542 
1 1 1 -17 35 9  o 81.70782 22.41723 224.2642       110.6460 490.5306       411.3521 203.4971       114.8799 109.0048 43.22590 77.86391 23.32827 31.14084       49.11911 
1 1 1 -17 35 10 o 127.1303 16.39110 508.6486       119.3692 933.2094       432.5606 473.6516       124.1917 142.6128 45.70164 121.8326 17.91573 20.78021       49.08781 
1 1 1 -17 35 11 o 72.35629 23.84906 172.7888       117.3429 -318.3096      435.1523 211.3000       121.8570 71.73961 34.59693 78.86877 24.11135 -7.129158      42.16995 
1 1 1 -17 35 12 o 97.12783 20.46286 312.7286       112.8779 -15.36776      433.8006 336.5565       116.9049 81.37419 37.79860 100.8492 20.46582 -19.47504      42.98352 
1 1 1 -17 35 13 o 77.45259 23.41742 204.6327       115.3755 -992.3865      447.4808 289.8749       119.4129 57.61510 29.00821 92.33379 22.30405 -34.71869      36.59163 
1 1 1 -17 35 14 o 42.82389 19.70219 -60.21752      113.7918 0.000000       0.000000 -60.21752      113.7918 ?        ?        42.82389 19.70219 0.000000       19.70219 
1 1 1 -17 35 15 o 81.16328 23.67453 228.6902       119.6199 0.000000       0.000000 228.6902       119.6199 ?        ?        81.16328 23.67453 0.000000       23.67453 
1 1 1 -17 35 16 f 50.63146 21.83561 17.82444       117.9629 0.000000       0.000000 17.82444       117.9629 ?        ?        50.63146 21.83561 0.000000       21.83561 
1 1 1 -17 35 17 o 182.4672 13.50687 1030.565       143.5159 0.000000       0.000000 1030.565       143.5159 ?        ?        182.4672 13.50687 0.000000       13.50687 
1 1 1 -17 35 18 o 58.84709 23.38850 87.39131       120.6874 0.000000       0.000000 87.39131       120.6874 ?        ?        58.84709 23.38850 0.000000       23.38850 
1 1 1 -17 35 19 o 31.60301 15.86904 -344.5119      129.3413 0.000000       0.000000 -344.5119      129.3413 ?        ?        31.60301 15.86904 0.000000       15.86904 
1 1 1 -17 35 20 o 52.59607 22.56257 31.75091       124.6799 0.000000       0.000000 31.75091       124.6799 ?        ?        52.59607 22.56257 0.000000       22.56257 
1 1 1 -17 35 21 o 143.3044 16.33196 660.2070       134.8143 0.000000       0.000000 660.2070       134.8143 ?        ?        143.3044 16.33196 0.000000       16.33196 
1 1 1 -17 35 22 o 59.12449 24.10940 86.38555       131.8515 0.000000       0.000000 86.38555       131.8515 ?        ?        59.12449 24.10940 0.000000       24.10940 
1 1 1 -17 35 23 o 66.54665 25.36229 144.5370       137.2858 0.000000       0.000000 144.5370       137.2858 ?        ?        66.54665 25.36229 0.000000       25.36229 
1 1 1 -17 35 24 o 68.92619 25.33201 164.4629       134.4150 0.000000       0.000000 164.4629       134.4150 ?        ?        68.92619 25.33201 0.000000       25.33201 
1 1 1 -17 35 25 f 83.53535 25.52040 263.8155       136.5461 0.000000       0.000000 263.8155       136.5461 ?        ?        83.53535 25.52040 0.000000       25.52040 
1 1 1 -17 35 26 o 92.03220 29.72395 349.5818       182.7329 0.000000       0.000000 349.5818       182.7329 ?        ?        92.03220 29.72395 0.000000       29.72395 
1 1 1 -17 35 27 o 39.59209 19.35611 -213.2880      149.1532 0.000000       0.000000 -213.2880      149.1532 ?        ?        39.59209 19.35611 0.000000       19.35611 
1 1 1 -17 35 28 o 46.37370 21.74436 -79.68804      149.1356 0.000000       0.000000 -79.68804      149.1356 ?        ?        46.37370 21.74436 0.000000       21.74436 
1 1 1 -17 36 1  o 49.82363 22.21644 -23.32642      131.6564 -73.21377      380.2430 -16.53106      140.3370 76.34999 35.43863 51.95496 23.06559 24.39503       42.28378 
1 1 1 -17 36 2  o 128.1453 27.36551 573.9871       199.4090 748.9554       395.9820 514.5411       230.8114 129.7388 43.83356 117.3018 32.45409 12.43700       54.54035 
1 1 1 -17 36 3  o 57.77809 23.75770 60.21517       129.3786 313.9031       402.2725 30.94640       136.6383 96.93833 41.01838 55.71469 23.75279 41.22364       47.39939 
1 1 1 -17 36 4  o 296.9343 10.33308 2649.691       179.6712 2293.408       432.7548 2723.896       197.4975 255.4619 29.42120 300.4120 11.22946 -44.95010      31.49140 
1 1 1 -17 36 5  o 98.63333 22.92131 329.2120       130.0596 985.3297       415.4247 257.9130       136.9440 148.6385 44.32121 86.34138 25.37144 62.29712       51.06936 
1 1 1 -17 36 6  o 166.6418 16.08250 868.7870       155.2262 0.000000       0.000000 868.7870       155.2262 ?        ?        166.6418 16.08250 0.000000       16.08250 
1 1 1 -17 36 7  f 66.03876 24.55560 128.8709       126.9508 279.2623       425.8138 114.1991       132.9992 94.58992 41.13680 64.59252 24.87594 29.99740       48.07338 
1 1 1 -17 36 8  o 80.43806 23.49976 221.1910       117.7791 776.9665       417.8165 173.2151       122.7574 128.1404 44.95512 72.36472 24.40582 55.77565       51.15278 
1 1 1 -17 36 9  o 89.94592 23.15751 277.7877       122.8853 178.7507       402.2249 287.9834       129.0557 87.57921 38.95538 91.25579 23.85198 -3.676582      45.67756 
1 1 1 -17 36 10 o 79.93314 23.76203 220.2551       119.5517 36.32885       396.7841 238.6196       125.3781 80.22949 36.86727 82.88578 24.25470 -2.656288      44.13033 
1 1 1 -17 36 11 o 134.9271 16.13035 575.9570       125.1161 320.2584       414.3568 601.6093       131.2421 94.44038 40.82726 137.6484 16.59165 -43.20802      44.06981 
1 1 1 -17 36 12 o 46.55038 20.73427 -17.51865      114.3522 -861.4324      432.4301 45.93251       118.5732 58.01548 29.11570 53.89349 22.50301 4.121994       36.79822 
1 1 1 -17 36 13 o 63.58908 24.13135 117.9008       123.9533 0.000000       0.000000 117.9008       123.9533 ?        ?        63.58908 24.13135 0.000000       24.13135 
1 1 1 -17 36 14 o 133.7061 16.55111 570.2481       127.0175 -257.5958      472.3224 634.7838       131.8755 73.69151 35.66161 141.3807 16.19667 -67.68923      39.16737 
1 1 1 -17 36 15 o 44.29269 21.38442 -200.1388      167.3831 0.000000       0.000000 -200.1388      167.3831 ?        ?        44.29269 21.38442 0.000000       21.38442 
1 1 1 -17 36 16 o 72.92719 24.79659 183.4077       126.7346 0.000000       0.000000 183.4077       126.7346 ?        ?        72.92719 24.79659 0.000000       24.79659 
1 1 1 -17 36 17 o 92.66249 24.99837 310.4170       138.9591 0.000000       0.000000 310.4170       138.9591 ?        ?        92.66249 24.99837 0.000000       24.99837 
1 1 1 -17 36 18 o 57.62546 23.74408 72.33044       129.5819 0.000000       0.000000 72.33044       129.5819 ?        ?        57.62546 23.74408 0.000000       23.74408 
1 1 1 -17 36 19 o 107.1954 22.99392 404.3805       140.2233 0.000000       0.000000 404.3805       140.2233 ?        ?        107.1954 22.99392 0.000000       22.99392 
1 1 1 -17 36 20 f 58.00710 24.43987 66.15172       141.8160 0.000000       0.000000 66.15172       141.8160 ?        ?        58.00710 24.43987 0.000000       24.43987 
1 1 1 -17 36 21 o 91.15020 25.38469 309.0074       140.7017 0.000000       0.000000 309.0074       140.7017 ?        ?        91.15020 25.38469 0.000000       25.38469 
1 1 1 -17 36 22 o 97.42954 25.35167 353.2852       146.2275 0.000000       0.000000 353.2852       146.2275 ?        ?        97.42954 25.35167 0.000000       25.35167 
1 1 1 -17 36 23 o 77.33041 25.88860 224.1349       138.1433 0.000000       0.000000 224.1349       138.1433 ?        ?        77.33041 25.88860 0.000000       25.88860 
1 1 1 -17 36 24 o 95.93865 25.42817 348.1005       145.3608 0.000000       0.000000 348.1005       145.3608 ?        ?        95.93865 25.42817 0.000000       25.42817 
1 1 1 -17 36 25 o 136.2577 21.10838 645.4208       163.2300 0.000000       0.000000 645.4208       163.2300 ?        ?        136.2577 21.10838 0.000000       21.10838 
1 1 1 -17 36 26 o 67.10379 26.20742 153.0212       149.1983 0.000000       0.000000 153.0212       149.1983 ?        ?        67.10379 26.20742 0.000000       26.20742 
1 1 1 -17 37 1  o 58.58643 24.61668 54.40247       143.2564 -226.2920      382.2122 100.2798       154.5207 69.41246 33.19820 64.79327 26.21785 4.619186       42.30244 
1 1 1 -17 37 2  o 51.57000 22.89892 -11.89223      138.3804 -154.9417      374.8014 10.68539       148.9008 71.24239 33.72953 55.21739 24.16384 16.02499       41.49184 
1 1 1 -17 37 3  o 75.53976 26.42566 191.9113       144.3048 -93.04960      411.3741 231.8965       154.0969 76.15900 35.83716 81.39378 27.34378 -5.234779      45.07754 
1 1 1 -17 37 4  o 36.82027 18.04432 -226.0605      131.9824 -676.2026      411.8444 -174.5404      139.3307 60.04377 29.86559 40.76471 19.63837 19.27906       35.74380 
1 1 1 -17 37 5  o 144.3681 17.68018 666.9994       146.5746 851.8481       427.6660 642.3961       156.0245 131.4992 45.52307 140.4509 19.46415 -8.951736      49.50963 
1 1 1 -17 37 6  o 151.9429 15.50597 724.7937       136.2404 410.3831       430.1750 759.8466       143.6343 99.81593 42.33450 155.2787 16.00117 -55.46275      45.25757 
1 1 1 -17 37 7  o 82.35297 24.64123 237.2168       128.2380 641.8804       430.5244 197.8181       134.3358 114.3853 44.56290 75.96262 25.53048 38.42266       51.35813 
1 1 1 -17 37 8  o 54.59612 23.11108 39.74273       127.7895 1073.236       406.2201 -73.76676      134.6244 152.8531 43.33413 45.86298 21.21769 106.9902       48.24974 
1 1 1 -17 37 9  o 126.1474 18.31025 515.8602       131.5096 642.9725       387.9230 499.3546       139.7874 115.7274 42.94483 122.9415 20.07987 -7.214104      47.40738 
1 1 1 -17 37 10 o 65.37631 24.55874 129.3455       127.6404 -22.42828      384.2953 148.1650       135.3227 75.84764 35.34770 68.48414 25.37348 7.363503       43.51176 
1 1 1 -17 37 11 o 54.30664 22.61555 50.56902       119.2986 39.11356       398.2300 51.69843       125.0413 78.85738 36.48565 55.25937 23.09356 23.59800       43.18003 
1 1 1 -17 37 12 o 48.50681 21.84186 -26.66842      130.6839 -679.8262      432.6772 38.89751       137.0863 60.70732 30.26276 55.51732 23.73357 5.190002       38.45929 
1 1 1 -17 37 13 o 42.33889 19.80893 -86.67413      122.6303 -607.2062      452.5428 -45.42208      127.3968 63.44070 31.51344 46.31155 21.13378 17.12915       37.94382 
1 1 1 -17 37 14 o 48.89918 21.46180 4.190188       118.2345 234.4848       464.6573 -11.75311      122.2587 88.03381 40.24476 48.10807 21.43289 39.92575       45.59616 
1 1 1 -17 37 15 o 47.16460 21.03892 -13.05965      118.1892 -644.5976      473.3942 28.92208       122.0544 63.55117 31.67633 51.91146 22.29721 11.63971       38.73700 
1 1 1 -17 37 16 o 68.21188 24.49575 156.5704       124.6977 414.6966       478.8866 137.7956       129.1530 94.58152 42.25917 65.73855 24.70192 28.84297       48.94918 
1 1 1 -17 37 17 o 110.9836 22.29657 429.5155       140.0843 0.000000       0.000000 429.5155       140.0843 ?        ?        110.9836 22.29657 0.000000       22.29657 
1 1 1 -17 37 18 o 51.87726 22.96828 6.933059       138.2196 0.000000       0.000000 6.933059       138.2196 ?        ?        51.87726 22.96828 0.000000       22.96828 
1 1 1 -17 37 19 o 40.72249 19.58024 -151.3598      136.9536 0.000000       0.000000 -151.3598      136.9536 ?        ?        40.72249 19.58024 0.000000       19.58024 
1 1 1 -17 37 20 o 48.49811 22.23218 -42.66171      143.1059 0.000000       0.000000 -42.66171      143.1059 ?        ?        48.49811 22.23218 0.000000       22.23218 
1 1 1 -17 37 21 o 74.40484 26.72149 204.8896       148.3906 0.000000       0.000000 204.8896       148.3906 ?        ?        74.40484 26.72149 0.000000       26.72149 
1 1 1 -17 37 22 o 160.0954 18.08640 851.2441       166.8474 0.000000       0.000000 851.2441       166.8474 ?        ?        160.0954 18.08640 0.000000       18.08640 
1 1 1 -17 37 23 o 53.72686 24.08496 6.480066       156.9471 0.000000       0.000000 6.480066       156.9471 ?        ?        53.72686 24.08496 0.000000       24.08496 
1 1 1 -17 37 24 o 56.81379 25.12960 34.68555       165.0683 0.000000       0.000000 34.68555       165.0683 ?        ?        56.81379 25.12960 0.000000       25.12960 
1 1 1 -17 37 25 o 56.56324 25.09373 34.35212       165.8096 0.000000       0.000000 34.35212       165.8096 ?        ?        56.56324 25.09373 0.000000       25.09373 
1 1 1 -17 38 1  o 134.4823 23.46869 618.8494       178.3698 727.8065       400.9222 591.9609       199.1666 121.6444 43.89246 128.2635 27.31438 -6.619171      51.69742 
1 1 1 -17 38 2  o 78.26361 26.48028 214.2814       144.5148 579.3246       400.7354 159.7108       154.9405 109.9706 42.95029 71.21672 26.99027 38.75385       50.72673 
1 1 1 -17 38 3  o 41.27872 19.81396 -159.9392      138.8877 -291.9569      390.5692 -140.8285      148.6007 67.06200 32.44746 44.14768 20.99879 22.91433       38.64953 
1 1 1 -17 38 4  f 77.76652 26.49504 211.5804       144.7007 98.88808       422.0059 226.5952       154.0391 82.89629 38.06631 79.95403 27.33446 2.942253       46.86381 
1 1 1 -17 38 5  o 50.28389 22.58571 -23.34845      138.7618 -254.3934      420.9997 4.810619       146.9747 70.28689 33.92941 53.95499 23.79540 16.33190       41.44184 
1 1 1 -17 38 6  f 94.99809 24.37755 319.2141       136.4829 -117.9304      432.7733 367.4929       143.8223 75.14346 35.76842 102.1070 24.35881 -26.96358      43.27507 
1 1 1 -17 38 7  o 118.0183 21.20915 469.2421       141.4032 231.6427       436.2246 497.1391       149.4741 88.62672 39.90655 121.0816 21.85321 -32.45490      45.49831 
1 1 1 -17 38 8  o 72.28702 25.63479 177.1464       136.1387 899.8885       424.4326 94.26064       143.7332 131.5681 45.35974 62.17268 25.23917 69.39537       51.90878 
1 1 1 -17 38 9  o 38.71120 18.74967 -177.0606      131.2793 -363.6519      419.4347 -156.7964      138.2242 66.45187 32.48142 41.12141 19.74580 25.33045       38.01236 
1 1 1 -17 38 10 o 49.40117 22.03236 -11.72514      129.5494 8.710696       429.9875 -13.76538      135.8624 78.19260 36.74554 50.27964 22.48385 27.91296       43.07851 
1 1 1 -17 38 11 o 105.0698 22.71776 384.6841       135.9052 1092.277       450.9120 313.9819       142.5334 141.7095 46.75267 92.85687 25.43007 48.85260       53.22124 
1 1 1 -17 38 12 o 58.87112 24.34330 75.70748       136.8535 -486.7863      446.0090 134.1712       143.7897 64.72870 31.99864 66.32975 25.77829 -1.601051      41.09055 
1 1 1 -17 38 13 o 71.31877 25.68811 175.2604       137.2506 12.09921       436.9230 193.1234       144.5686 77.58060 36.63654 73.97533 26.39745 3.605278       45.15597 
1 1 1 -17 38 14 f 108.1016 21.51311 403.5386       131.5925 -91.71166      439.5495 452.2973       137.9183 73.82549 35.38698 114.7915 21.26925 -40.96606      41.28704 
1 1 1 -17 38 15 f 97.92524 23.43367 343.3442       132.7814 533.9915       451.9554 325.3340       138.9117 99.09853 42.73922 94.22463 24.80324 4.873901       49.41500 
1 1 1 -17 38 16 o 95.23222 24.91084 333.5822       140.6959 0.000000       0.000000 333.5822       140.6959 ?        ?        95.23222 24.91084 0.000000       24.91084 
1 1 1 -17 38 17 o 55.41363 23.52083 53.15652       132.9660 -548.1823      452.1113 110.0940       139.1186 62.63780 31.17814 62.35587 25.00110 0.2819328      39.96413 
1 1 1 -17 38 18 o 82.78429 27.27353 263.4972       153.4670 0.000000       0.000000 263.4972       153.4670 ?        ?        82.78429 27.27353 0.000000       27.27353 
1 1 1 -17 38 19 o 72.66914 26.88969 192.2094       151.8917 0.000000       0.000000 192.2094       151.8917 ?        ?        72.66914 26.88969 0.000000       26.88969 
1 1 1 -17 38 20 o 70.89064 27.30225 178.1853       160.2120 0.000000       0.000000 178.1853       160.2120 ?        ?        70.89064 27.30225 0.000000       27.30225 
1 1 1 -17 38 21 o 80.19558 29.01469 255.8665       175.3399 0.000000       0.000000 255.8665       175.3399 ?        ?        80.19558 29.01469 0.000000       29.01469 
1 1 1 -17 38 22 o 138.7082 22.55935 683.5580       177.2178 0.000000       0.000000 683.5580       177.2178 ?        ?        138.7082 22.55935 0.000000       22.55935 
1 1 1 -17 38 23 o 108.8057 28.37976 476.0904       182.9546 0.000000       0.000000 476.0904       182.9546 ?        ?        108.8057 28.37976 0.000000       28.37976 
1 1 1 -17 39 1  o 116.4153 29.97603 519.5422       205.8865 576.4805       399.1436 498.9004       240.3261 107.2776 42.56722 109.9317 33.90757 -2.654114      54.42142 
1 1 1 -17 39 2  o 62.27883 25.86724 85.74084       155.4827 117.8417       389.4794 79.65521       169.5816 80.79265 36.90066 63.14205 26.67084 17.65060       45.53013 
1 1 1 -17 39 3  o 121.1886 23.26426 510.0603       159.3385 268.2714       391.6638 558.0146       174.4252 88.07246 38.84311 125.8320 24.51729 -37.75953      45.93348 
1 1 1 -17 39 4  o 68.80695 26.03749 151.5002       144.0654 -66.13525      396.4959 184.6028       154.6341 73.57571 34.79186 73.53851 27.14571 0.3720856E-01  44.12893 
1 1 1 -17 39 5  o 150.9356 18.58083 745.5253       161.0104 751.0338       427.7287 744.6159       173.7939 117.3963 44.76116 149.3407 20.37363 -31.94434      49.17974 
1 1 1 -17 39 6  o 47.09050 21.73712 -63.36683      140.1523 -495.9507      396.1238 -1.466867      149.8446 60.93774 30.13034 53.36414 23.75418 7.573608       38.36793 
1 1 1 -17 39 7  o 54.47701 24.01658 12.90668       149.5870 0.000000       0.000000 12.90668       149.5870 ?        ?        54.47701 24.01658 0.000000       24.01658 
1 1 1 -17 39 8  o 54.00043 23.50831 24.51028       139.3547 -150.2214      395.6169 49.26170       148.8980 70.06090 33.57970 57.59565 24.68100 12.46525       41.67431 
1 1 1 -17 39 9  f 82.11275 25.81688 247.5236       138.5988 189.4001       399.0563 255.4968       147.7996 82.98302 37.68729 82.95094 26.72703 0.3208160E-01  46.20245 
1 1 1 -17 39 10 o 87.61549 25.94216 284.9486       142.7234 456.8546       405.8721 260.6921       152.4607 96.52023 41.03617 83.34983 27.16824 13.17040       49.21463 
1 1 1 -17 39 11 o 75.40491 26.16198 205.7722       141.2829 745.9239       410.4448 133.1689       150.4788 115.1402 43.86032 66.22778 26.18168 48.91238       51.08041 
1 1 1 -17 39 12 o 60.39254 24.74996 90.45233       139.8123 -459.8282      413.5638 161.4588       148.5591 62.17525 30.75027 69.45939 26.40431 -7.284138      40.53106 
1 1 1 -17 39 13 o 62.97128 25.22205 112.5783       141.4383 533.2767       426.1862 60.50883       149.9359 99.27507 42.12280 58.29227 24.86764 40.98280       48.91553 
1 1 1 -17 39 14 o 110.2849 23.23398 433.0248       145.5248 617.0195       420.3425 407.9684       155.1175 104.0829 42.81289 105.0417 25.45024 -0.9588165     49.80621 
1 1 1 -17 39 15 f 45.86512 21.30621 -67.27944      137.8749 -803.6906      395.3541 34.68167       147.1104 53.59489 27.01990 55.29824 24.11222 -1.703350      36.21428 
1 1 1 -17 39 16 o 67.94679 25.79525 157.0305       141.6702 21.93960       390.9291 177.4540       152.0025 73.34723 34.64258 70.88953 26.76312 2.457695       43.77640 
1 1 1 -17 39 17 o 100.6093 28.74590 405.1268       178.0626 297.5720       417.6074 429.0260       196.8542 84.79927 38.52834 101.6241 30.55818 -16.82487      49.17556 
1 1 1 -17 39 18 o 48.35887 22.92298 -115.7565      174.1122 -242.7490      438.8550 -92.03318      189.6792 67.36183 32.98915 51.75359 24.34730 15.60824       41.00092 
1 1 1 -17 39 19 o 105.7663 26.76472 431.2031       166.1306 911.5940       464.8714 360.8685       177.8770 115.8352 45.94633 94.00829 29.20098 21.82690       54.44045 
1 1 1 -17 39 20 o 105.3985 27.23572 434.6526       169.5556 0.000000       0.000000 434.6526       169.5556 ?        ?        105.3985 27.23572 0.000000       27.23572 
1 1 1 -17 40 1  o 56.61033 24.70965 31.73048       154.8311 0.1466602E-01  368.3154 38.53822       170.6410 73.36659 34.32708 59.11150 25.86787 14.25509       42.98250 
1 1 1 -17 40 2  o 54.73011 24.44336 0.8613651      160.0430 302.7755       390.6612 -60.02848      175.4410 88.16174 38.84147 52.61315 24.29843 35.54859       45.81564 
1 1 1 -17 40 3  o 69.50410 27.54970 151.3167       167.0239 208.1027       396.4939 139.0658       184.1613 83.48167 37.77503 69.29777 28.40312 14.18390       47.26192 
1 1 1 -17 40 4  o 50.73941 23.44237 -61.45131      163.5325 553.8317       390.0359 -192.6826      180.1299 103.1528 41.68473 46.18669 22.27020 56.96610       47.26075 
1 1 1 -17 40 5  o 43.73617 21.17946 -201.3851      167.3053 15.23434       403.0398 -246.4829      183.8980 75.52445 35.51791 44.46046 21.68316 31.06399       41.61347 
1 1 1 -17 40 6  o 117.8345 23.74607 492.8875       158.4259 901.1390       423.8570 426.5905       170.8058 126.1509 45.17865 106.3075 27.26658 19.84337       52.76909 
1 1 1 -17 40 7  o 44.23201 20.99808 -123.1129      147.1635 -601.5413      416.4073 -54.82826      157.3154 59.50224 29.66620 50.13416 23.10171 9.368088       37.60017 
1 1 1 -17 40 8  f 116.8395 22.96932 480.7056       151.7807 776.6430       423.3635 437.0586       162.5888 115.8623 44.44380 108.7588 25.86911 7.103477       51.42434 
1 1 1 -17 40 9  o 54.13617 23.87852 17.10145       148.0503 -394.2819      394.0856 84.70345       159.7522 62.13072 30.59346 61.67493 25.95968 0.4557877      40.12312 
1 1 1 -17 40 10 o 53.03172 23.39766 14.43517       142.2378 167.0656       357.0587 -14.35444      155.0733 79.06180 35.80402 52.51669 23.70700 26.54511       42.94123 
1 1 1 -17 40 11 o 60.19668 24.81774 89.69266       141.6733 -342.0455      349.7588 174.4332       154.9544 59.60263 29.24301 70.92975 26.96586 -11.32712      39.77828 
1 1 1 -17 40 12 o 72.91996 25.92751 192.9935       139.3476 305.3932       327.0060 168.0544       154.0329 85.29772 36.56445 69.93864 26.81288 15.35908       45.34192 
1 1 1 -17 40 13 o 42.01720 20.02698 -123.3309      136.6021 140.4804       289.7317 -198.7357      154.8990 73.84865 32.94142 41.40597 20.12728 32.44268       38.60368 
1 1 1 -17 40 14 o 70.29670 25.91227 176.0984       140.8157 -152.7289      285.3939 281.9126       161.8948 59.49429 28.51669 84.56281 28.01872 -25.06852      39.97812 
1 1 1 -17 40 15 o 125.7904 24.34837 576.5262       173.1324 234.0738       286.0573 774.4852       217.4906 79.15639 34.06903 143.3155 26.86270 -64.15912      43.38552 
1 1 1 -17 40 16 o 110.7611 23.43258 444.1368       147.4570 -21.38468      292.3232 603.0164       170.7762 65.23736 30.54230 129.6733 23.31263 -64.43598      38.42279 
1 1 1 -17 40 17 o 71.12234 27.67943 180.9361       165.9614 348.3412       319.3796 119.0122       194.2461 86.51261 36.57499 66.41187 28.31725 20.10074       46.25578 
1 1 1 -17 40 18 o 43.38663 21.14039 -215.2295      173.7017 -443.2388      371.2314 -151.3171      196.5445 57.55095 28.58005 49.39327 23.67242 8.157684       37.11068 
1 1 1 -17 41 1  o 51.13803 23.55347 -51.32450      163.2624 43.44932       371.8459 -73.95736      181.7140 74.38142 34.69965 52.33285 24.36129 22.04856       42.39738 
1 1 1 -17 41 2  o 52.25236 23.94169 -39.54125      165.6927 -464.2252      379.6057 60.41298       184.1622 59.27041 29.34011 61.87351 26.97885 -2.603104      39.85851 
1 1 1 -17 41 3  o 158.2954 18.98767 833.4293       172.7612 793.2607       423.3015 841.4574       189.2393 116.1730 44.47131 156.9967 21.08538 -40.82370      49.21677 
1 1 1 -17 41 4  o 48.32486 22.80756 -110.1021      168.8768 -277.5756      420.3976 -77.87700      184.4100 66.64403 32.56318 52.37163 24.43335 14.27240       40.71055 
1 1 1 -17 41 5  o 162.7714 18.87912 881.1779       176.8843 852.4155       415.1642 887.5570       195.5181 120.9044 44.50562 160.9637 21.22834 -40.05923      49.30915 
1 1 1 -17 41 6  o 85.75414 27.96371 286.1317       161.5107 424.3591       410.2847 260.7833       175.6968 92.43543 40.28727 81.78388 29.10984 10.65155       49.70359 
1 1 1 -17 41 7  o 98.68134 26.99327 373.6898       160.7045 865.5554       405.0270 281.7871       175.0753 122.2939 44.11793 84.37037 29.13060 37.92351       52.86760 
1 1 1 -17 41 8  o 55.06669 24.34873 21.94799       154.8445 145.2605       360.0667 -6.031675      171.5144 77.20374 35.34398 55.01827 24.87508 22.18547       43.21998 
1 1 1 -17 41 9  o 51.23219 23.28600 -22.79081      152.7231 62.39890       333.5291 -45.39152      171.7913 72.07962 33.36399 52.33415 24.12473 19.74547       41.17230 
1 1 1 -17 41 10 o 49.20842 22.50698 -35.37797      145.5677 -183.1642      306.8064 7.555560       165.3658 60.34965 29.09056 55.13525 24.71893 5.214401       38.17442 
1 1 1 -17 41 11 o 55.52948 23.91426 48.23113       141.1059 -69.07340      280.4527 87.99143       163.2778 62.42366 29.44033 61.61978 26.10581 0.8038864      39.34776 
1 1 1 -17 41 12 o 43.86967 20.63801 -90.22971      136.2769 -319.0136      274.6877 -15.53396      156.9547 52.72162 25.87679 52.21443 23.68266 0.5071907      35.07815 
1 1 1 -17 41 13 o 65.58313 25.38717 141.8879       139.0387 168.7162       263.6186 131.5489       163.6515 73.94151 32.25896 65.80314 26.84964 8.138367       41.97075 
1 1 1 -17 41 14 o 86.72159 27.15380 296.1537       153.4825 74.35596       279.3147 392.0934       183.7023 68.77759 31.35012 97.52292 29.56219 -28.74533      43.09006 
1 1 1 -17 41 15 o 56.64731 24.72617 47.54980       155.0432 482.9391       282.8109 -139.5324      185.3846 98.06734 36.61420 48.47404 23.16668 49.59329       43.32776 
1 1 1 -17 42 1  o 48.05320 22.64768 -102.2942      165.4621 57.87625       388.0851 -137.8782      182.9208 74.73650 35.05412 48.72732 23.21115 26.00918       42.04222 
1 1 1 -17 42 2  o 48.09432 22.96159 -145.0870      181.1268 -353.2408      405.8544 -93.31810      202.4010 63.21727 31.11259 53.57091 25.18610 9.646362       40.02914 
1 1 1 -17 42 3  o 76.24374 29.02028 217.8509       179.5958 -409.6023      409.9322 366.8923       199.7905 62.13318 30.70851 93.61569 31.12918 -31.48251      43.72686 
1 1 1 -17 42 4  o 65.22797 26.81425 122.0345       164.7567 -10.58889      399.2099 149.2613       180.8797 72.56966 34.48914 68.94653 28.19128 3.623131       44.54491 
1 1 1 -17 42 5  o 59.94757 25.74319 69.23049       162.6281 -151.0233      375.5969 120.0505       180.4171 66.56809 32.11275 66.08988 27.68814 0.4782104      42.40120 
1 1 1 -17 42 6  o 90.20493 27.51553 318.6085       158.8105 377.0532       391.0160 307.0632       173.7900 88.90802 39.02525 87.42113 29.03197 1.486893       48.63975 
1 1 1 -17 42 7  o 57.88403 25.16025 51.14138       159.1145 -566.7985      372.4766 189.0751       175.9791 55.69689 27.81389 72.71826 28.44433 -17.02137      39.78306 
1 1 1 -17 42 8  o 80.20207 27.73910 250.3782       158.7758 731.6575       335.1565 111.1114       180.2905 117.7653 40.31824 65.05814 27.49113 52.70712       48.79880 
1 1 1 -17 42 9  o 60.85849 25.67402 87.90432       156.8219 -420.6376      321.5966 246.5549       179.6259 54.38469 26.93651 79.05006 29.24340 -24.66538      39.75867 
1 1 1 -17 42 10 f 59.17331 25.17066 75.70769       152.8358 -185.7515      289.5835 176.6563       179.9377 58.24506 28.12226 71.04672 28.45116 -12.80166      40.00413 
1 1 1 -16 0  1  o 609.3330 17.55080 10932.95       626.0165 10932.95       626.0165 10932.95       626.0165 609.3330 17.55080 609.3330 17.55080 -0.000000      0.000000 
1 1 1 -16 0  2  o 1252.094 29.25723 46263.84       2145.778 46263.84       2145.778 46263.84       2145.778 1252.094 29.25723 1252.094 29.25723 0.000000       0.000000 
1 1 1 -16 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  4  o 563.0295 16.77185 9335.128       552.6995 9335.128       552.6995 9335.128       552.6995 563.0295 16.77185 563.0295 16.77185 0.000000       0.000000 
1 1 1 -16 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  6  o 606.4551 16.89530 10828.05       599.8630 10828.05       599.8630 10828.05       599.8630 606.4551 16.89530 606.4551 16.89530 -0.000000      0.000000 
1 1 1 -16 0  7  f 177.7900 25.81117 986.9916       252.6165 986.9916       252.6165 986.9916       252.6165 177.7900 25.81117 177.7900 25.81117 0.000000       0.000000 
1 1 1 -16 0  8  o 281.9838 16.04214 2357.927       263.3200 2357.927       263.3200 2357.927       263.3200 281.9838 16.04214 281.9838 16.04214 0.000000       0.000000 
1 1 1 -16 0  9  f 374.9078 14.27977 4144.956       312.9398 4144.956       312.9398 4144.956       312.9398 374.9078 14.27977 374.9078 14.27977 0.000000       0.000000 
1 1 1 -16 0  10 o 396.5213 13.74393 4632.999       318.7440 4632.999       318.7440 4632.999       318.7440 396.5213 13.74393 396.5213 13.74393 0.000000       0.000000 
1 1 1 -16 0  11 o 350.2243 13.28734 3616.782       272.0265 3616.782       272.0265 3616.782       272.0265 350.2243 13.28734 350.2243 13.28734 0.000000       0.000000 
1 1 1 -16 0  12 o 163.8609 19.81463 823.4713       183.0273 823.4713       183.0273 823.4713       183.0273 163.8609 19.81463 163.8609 19.81463 0.000000       0.000000 
1 1 1 -16 0  13 o 184.3905 16.86802 1024.114       178.7181 1024.114       178.7181 1024.114       178.7181 184.3905 16.86802 184.3905 16.86802 0.000000       0.000000 
1 1 1 -16 0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  16 o 143.8608 17.92473 636.6078       144.9027 636.6078       144.9027 636.6078       144.9027 143.8608 17.92473 143.8608 17.92473 -0.000000      0.000000 
1 1 1 -16 0  17 o 540.3677 14.24630 8601.937       450.7744 8601.937       450.7744 8601.937       450.7744 540.3677 14.24630 540.3677 14.24630 -0.000000      0.000000 
1 1 1 -16 0  18 o 835.8201 19.85563 20632.60       972.0602 20632.60       972.0602 20632.60       972.0602 835.8201 19.85563 835.8201 19.85563 -0.000000      0.000000 
1 1 1 -16 0  19 o 63.24063 28.11262 170.7148       110.2453 170.7148       110.2453 170.7148       110.2453 63.24063 28.11262 63.24063 28.11262 -0.000000      0.000000 
1 1 1 -16 0  20 o 239.6168 11.49235 1699.070       160.6512 1699.070       160.6512 1699.070       160.6512 239.6168 11.49235 239.6168 11.49235 0.000000       0.000000 
1 1 1 -16 0  21 o 27.23989 19.02460 -108.6847      111.4505 -108.6847      111.4505 -108.6847      111.4505 27.23989 19.02460 27.23989 19.02460 -0.000000      0.000000 
1 1 1 -16 0  22 o 177.3048 12.59987 938.7001       129.4708 938.7001       129.4708 938.7001       129.4708 177.3048 12.59987 177.3048 12.59987 0.000000       0.000000 
1 1 1 -16 0  23 o 406.6810 11.92352 4877.837       283.8331 4877.837       283.8331 4877.837       283.8331 406.6810 11.92352 406.6810 11.92352 0.000000       0.000000 
1 1 1 -16 0  24 o 35.47849 22.63068 9.642010       104.3254 9.642010       104.3254 9.642010       104.3254 35.47849 22.63068 35.47849 22.63068 0.000000       0.000000 
1 1 1 -16 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  29 o 122.5388 20.48351 479.6824       134.8548 479.6824       134.8548 479.6824       134.8548 122.5388 20.48351 122.5388 20.48351 0.000000       0.000000 
1 1 1 -16 0  30 o 98.61827 26.83368 345.7983       134.1389 345.7983       134.1389 345.7983       134.1389 98.61827 26.83368 98.61827 26.83368 0.000000       0.000000 
1 1 1 -16 0  31 o 247.3719 12.34120 1816.241       178.0220 1816.241       178.0220 1816.241       178.0220 247.3719 12.34120 247.3719 12.34120 0.000000       0.000000 
1 1 1 -16 0  32 o 110.2260 23.34112 405.8368       132.7181 405.8368       132.7181 405.8368       132.7181 110.2260 23.34112 110.2260 23.34112 0.000000       0.000000 
1 1 1 -16 0  33 o 338.1190 12.11197 3384.740       239.4789 3384.740       239.4789 3384.740       239.4789 338.1190 12.11197 338.1190 12.11197 0.000000       0.000000 
1 1 1 -16 0  34 o 90.07946 28.94897 308.0968       134.9200 308.0968       134.9200 308.0968       134.9200 90.07946 28.94897 90.07946 28.94897 0.000000       0.000000 
1 1 1 -16 0  35 o 367.4644 12.30112 4001.045       264.4265 4001.045       264.4265 4001.045       264.4265 367.4644 12.30112 367.4644 12.30112 0.000000       0.000000 
1 1 1 -16 0  36 o 211.7552 13.64721 1344.200       167.8482 1344.200       167.8482 1344.200       167.8482 211.7552 13.64721 211.7552 13.64721 0.000000       0.000000 
1 1 1 -16 0  37 o 26.48604 18.83717 -168.3096      126.2944 -168.3096      126.2944 -168.3096      126.2944 26.48604 18.83717 26.48604 18.83717 0.000000       0.000000 
1 1 1 -16 0  38 o 271.0511 12.23727 2192.507       193.6244 2192.507       193.6244 2192.507       193.6244 271.0511 12.23727 271.0511 12.23727 0.000000       0.000000 
1 1 1 -16 0  39 o 62.40450 29.99892 180.4468       126.8764 180.4468       126.8764 180.4468       126.8764 62.40450 29.99892 62.40450 29.99892 0.000000       0.000000 
1 1 1 -16 0  40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  41 o 123.3540 19.80970 496.2422       132.2400 496.2422       132.2400 496.2422       132.2400 123.3540 19.80970 123.3540 19.80970 -0.000000      0.000000 
1 1 1 -16 0  42 f 36.52377 24.24995 -18.74187      138.0318 -18.74187      138.0318 -18.74187      138.0318 36.52377 24.24995 36.52377 24.24995 0.000000       0.000000 
1 1 1 -16 0  43 o 64.81501 32.15768 207.2695       147.5098 207.2695       147.5098 207.2695       147.5098 64.81501 32.15768 64.81501 32.15768 0.000000       0.000000 
1 1 1 -16 0  44 o 101.4017 29.92656 401.6354       154.7107 401.6354       154.7107 401.6354       154.7107 101.4017 29.92656 101.4017 29.92656 0.000000       0.000000 
1 1 1 -16 0  45 o 58.15667 31.31792 171.8182       147.8786 171.8182       147.8786 171.8182       147.8786 58.15667 31.31792 58.15667 31.31792 0.000000       0.000000 
1 1 1 -16 0  46 o 153.8367 18.86567 765.2963       163.3642 765.2963       163.3642 765.2963       163.3642 153.8367 18.86567 153.8367 18.86567 -0.000000      0.000000 
1 1 1 -16 0  47 f 40.22007 26.73329 -4.175333      168.5158 -4.175333      168.5158 -4.175333      168.5158 40.22007 26.73329 40.22007 26.73329 0.000000       0.000000 
1 1 1 -16 0  48 o 100.5881 33.09641 429.8779       173.2652 429.8779       173.2652 429.8779       173.2652 100.5881 33.09641 100.5881 33.09641 -0.000000      0.000000 
1 1 1 -16 1  1  o 891.2166 17.84082 23372.50       932.4996 22185.26       1541.375 24057.88       1171.127 864.8903 30.43507 903.3459 22.10544 -38.45563      37.61575 
1 1 1 -16 1  2  o 1635.332 30.71051 79238.85       2945.394 82255.19       5255.246 77857.41       3556.481 1647.212 54.47421 1616.919 37.50436 30.29285       66.13634 
1 1 1 -16 1  3  f 725.6970 15.33841 15483.53       652.8090 14133.40       1050.268 16333.53       833.3412 691.1760 25.95573 744.5722 19.09960 -53.39618      32.22569 
1 1 1 -16 1  4  o 942.9979 16.05367 26152.06       887.8417 26188.05       1256.185 26116.15       1255.011 942.2715 22.73145 940.9747 22.74151 1.296814       32.15424 
1 1 1 -16 1  5  o 662.0020 12.47263 12874.09       484.2481 13212.70       696.1572 12556.65       674.0388 669.8074 17.73737 652.9739 17.61714 16.83350       24.99956 
1 1 1 -16 1  6  f 874.6028 15.07344 22490.68       773.1677 22815.80       1103.616 22177.29       1083.510 879.7126 21.39079 867.3353 21.30077 12.37738       30.18755 
1 1 1 -16 1  7  o 121.3536 25.73695 451.5850       177.4863 591.7159       243.2052 291.9202       259.6035 138.6009 30.72653 103.4278 35.48176 35.17307       46.93693 
1 1 1 -16 1  8  o 671.4584 12.21608 13245.49       481.0624 13119.36       677.3566 13373.87       683.3329 667.4043 17.31988 673.8537 17.30516 -6.449402      24.48361 
1 1 1 -16 1  9  o 988.5055 16.42611 28754.00       952.2792 28796.34       1347.453 28711.75       1346.000 987.4993 23.26625 986.0450 23.27544 1.454224       32.90995 
1 1 1 -16 1  10 o 345.5990 9.813631 3509.777       198.7068 3407.791       278.2707 3615.887       283.8398 340.1652 13.97827 350.4289 13.83814 -10.26370      19.66942 
1 1 1 -16 1  11 o 196.3212 11.96478 1136.693       137.1056 967.4778       188.0907 1328.543       200.2757 180.3348 18.02561 211.8372 16.24433 -31.50238      24.26522 
1 1 1 -16 1  12 o 440.8734 9.554651 5707.724       247.0468 5581.980       344.4376 5840.948       354.5352 435.4758 13.50271 445.4619 13.58645 -9.986176      19.15503 
1 1 1 -16 1  13 o 278.5931 9.517985 2282.099       155.2843 2311.869       221.0455 2253.093       218.1928 280.0272 13.49933 276.4363 13.49926 3.590851       19.09088 
1 1 1 -16 1  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 1  15 o 742.9543 17.87137 16292.44       778.7006 15636.28       1066.346 17042.14       1139.820 725.1227 25.11262 756.8000 25.71794 -31.67725      35.94518 
1 1 1 -16 1  16 o 828.6619 16.10658 20254.39       782.7645 19190.21       1291.130 20872.86       984.2827 801.6807 27.50182 839.8970 19.98220 -38.21625      33.99468 
1 1 1 -16 1  17 o 275.2430 10.70240 2231.248       172.4326 2224.293       242.2961 2238.384       245.4474 274.2193 15.12458 275.0654 15.27499 -0.8460693     21.49600 
1 1 1 -16 1  18 o 599.4543 10.69696 10571.18       376.0684 10598.64       533.2527 10544.02       530.4406 599.0710 15.18989 597.5359 15.14860 1.535095       21.45257 
1 1 1 -16 1  19 o 497.9606 9.458099 7291.595       276.2164 7312.078       393.1239 7271.625       388.1809 497.7658 13.47888 496.4171 13.34538 1.348724       18.96785 
1 1 1 -16 1  20 o 112.7718 13.25849 380.2729       86.01563 333.6542       118.7092 431.8055       124.8089 104.2311 20.14845 119.3018 18.43144 -15.07076      27.30711 
1 1 1 -16 1  21 o 509.7258 9.517223 7645.218       284.5099 7671.870       403.6476 7618.906       401.0802 509.5471 13.51921 507.7952 13.47958 1.751831       19.09105 
1 1 1 -16 1  22 o 114.6176 12.60190 392.3416       83.31480 463.2513       118.7028 323.4914       116.9663 123.8861 16.76764 102.4623 20.18299 21.42387       26.23941 
1 1 1 -16 1  23 o 601.9376 10.69773 10679.85       377.6536 10867.70       542.0017 10502.60       526.5012 605.4041 15.27749 595.2200 15.09461 10.18408       21.47670 
1 1 1 -16 1  24 o 93.48850 14.50963 264.8398       76.97706 391.6695       111.0723 147.6262       106.7786 113.5280 17.22202 70.77630 22.70907 42.75169       28.50087 
1 1 1 -16 1  25 o 291.8196 8.019157 2507.271       137.1140 2377.334       191.8073 2643.061       196.0803 283.5322 11.55909 299.0582 11.19942 -15.52603      16.09471 
1 1 1 -16 1  26 o 283.8837 9.825401 2377.957       163.3376 2447.577       318.0194 2353.010       190.3647 285.5899 19.09692 282.0588 11.53223 3.531097       22.30884 
1 1 1 -16 1  27 o 252.6361 8.424703 1880.607       124.6501 2003.961       180.3105 1767.692       172.5117 260.1998 11.84689 244.3011 12.07789 15.89868       16.91816 
1 1 1 -16 1  28 o 79.02701 19.96417 194.0667       92.54468 231.1384       130.6096 156.6887       131.1479 86.30310 24.60671 74.29333 25.22515 12.00977       35.23916 
1 1 1 -16 1  29 o 261.5172 8.592448 2015.514       131.6066 2090.486       189.0241 1944.979       183.3455 265.6860 12.16331 256.2380 12.23581 9.447998       17.25286 
1 1 1 -16 1  30 o 555.4877 10.26266 9102.370       334.3376 9009.346       471.8921 9196.134       473.7629 550.7748 14.62185 556.5037 14.52828 -5.728882      20.61236 
1 1 1 -16 1  31 o 122.4481 13.16758 449.3900       93.07597 518.6011       136.9859 390.0369       126.8556 130.4037 18.42433 112.3688 19.98151 18.03490       27.17934 
1 1 1 -16 1  32 o 230.8308 9.001855 1573.680       121.6306 1395.192       170.6359 1758.042       173.4212 216.3384 13.51642 243.2914 12.19302 -26.95300      18.20339 
1 1 1 -16 1  33 o 67.29424 20.60901 138.1020       88.97681 67.22467       130.4015 199.8478       121.7119 61.17265 24.31195 80.11063 24.01437 -18.93799      34.17251 
1 1 1 -16 1  34 f 212.6820 9.323262 1338.968       116.0093 1464.963       168.1077 1224.412       160.2948 221.5252 12.99649 202.2854 13.59039 19.23985       18.80445 
1 1 1 -16 1  35 o 157.1722 11.47097 737.1448       105.0089 730.9901       148.0262 743.3799       148.9884 155.0875 16.52906 156.4229 16.48833 -1.335419      23.34684 
1 1 1 -16 1  36 o 238.5323 9.191773 1686.172       128.3463 1789.321       185.8373 1592.103       177.4699 244.4599 13.00892 230.4918 13.18360 13.96809       18.52132 
1 1 1 -16 1  37 o 179.6326 10.20698 961.7988       107.0883 1017.939       149.6107 902.8167       153.3501 183.5315 14.00535 172.2689 15.33866 11.26260       20.77076 
1 1 1 -16 1  38 o 207.0620 8.670171 1274.199       105.0549 1325.296       301.2238 1267.124       112.0931 200.9396 26.18286 206.2828 9.289253 -5.343277      27.78187 
1 1 1 -16 1  39 o 78.78730 23.40726 205.4136       116.0363 169.2642       251.1533 215.2241       130.8376 81.64588 33.28156 80.46688 25.05189 1.179001       41.65644 
1 1 1 -16 1  40 o 381.2946 7.448367 4312.400       166.5606 4339.302       236.3092 4285.840       234.8026 380.1226 10.61039 377.7737 10.60843 2.348938       15.00397 
1 1 1 -16 1  41 o 215.0204 8.862226 1382.175       111.5171 1290.447       155.4805 1479.357       160.0360 205.5230 12.96534 220.4552 12.42823 -14.93222      17.95998 
1 1 1 -16 1  42 o 110.9708 15.45943 389.1390       97.88500 359.0537       140.6336 417.4101       136.3274 101.7046 23.97208 111.4195 21.64297 -9.714897      32.29673 
1 1 1 -16 1  43 o 156.4613 11.30937 747.0925       103.0754 625.4916       150.6846 854.0309       141.3082 138.2378 19.09572 165.1454 14.74477 -26.90762      24.12581 
1 1 1 -16 1  44 o 120.0750 15.48308 459.3849       106.4983 434.8370       145.0423 488.1017       156.8756 111.7943 22.89306 118.1594 23.46558 -6.365112      32.78301 
1 1 1 -16 1  45 o 67.42028 22.27782 156.3251       102.3692 191.6900       139.8547 115.5092       150.2471 73.37591 25.98602 64.19983 25.89741 9.176079       36.68718 
1 1 1 -16 1  46 o 28.72207 14.40661 -274.7664      105.1651 -284.3917      151.1985 -265.7461      146.3706 37.38054 18.50645 37.22012 18.38711 0.1604156      26.08782 
1 1 1 -16 1  47 o 162.3395 12.97466 826.5628       122.5021 887.9696       170.6432 761.2641       175.9678 163.4723 18.10192 148.6497 20.74912 14.82265       27.53553 
1 1 1 -16 1  48 o 113.3058 18.58446 434.4133       119.2182 483.0938       165.5696 381.9984       171.8030 113.1397 25.55777 97.24333 28.37443 15.89636       38.18779 
1 1 1 -16 2  1  o 1221.588 23.22982 44021.03       1664.260 42988.00       2817.976 44574.33       2062.346 1199.489 40.11455 1227.341 28.65141 -27.85156      49.29584 
1 1 1 -16 2  2  o 1365.908 31.61861 55318.96       2532.882 54117.22       3513.043 56619.98       3655.260 1342.957 44.66583 1373.139 45.45192 -30.18152      63.72529 
1 1 1 -16 2  3  o 1340.408 21.89617 52969.94       1721.297 52665.54       2421.738 53280.73       2447.021 1332.977 30.97805 1340.673 31.12178 -7.696045      43.91133 
1 1 1 -16 2  4  o 753.4633 15.55805 16693.28       687.4924 15482.63       1115.750 17434.23       872.8813 723.3034 26.34645 769.1823 19.36515 -45.87885      32.69778 
1 1 1 -16 2  5  o 764.2070 19.16387 17209.12       858.2266 16776.65       1184.545 17686.98       1245.153 752.7682 26.87430 772.7693 27.51796 -20.00104      38.46383 
1 1 1 -16 2  6  o 926.8354 15.75450 25264.07       856.3625 24576.11       1186.115 26013.16       1237.690 912.8193 22.15601 939.0493 22.47361 -26.23004      31.55870 
1 1 1 -16 2  7  o 315.2633 11.43746 2922.994       211.1218 2803.220       290.5355 3057.000       307.3132 308.2790 16.12565 321.9444 16.32941 -13.66534      22.94965 
1 1 1 -16 2  8  o 390.1987 10.26719 4473.713       234.7526 4330.861       326.0238 4627.524       338.2968 383.5237 14.52084 396.4539 14.57453 -12.93030      20.57356 
1 1 1 -16 2  9  o 531.2955 10.75065 8289.896       334.9819 8625.553       485.6312 7985.225       462.6740 541.3101 15.31252 520.8335 15.16311 20.47656       21.54978 
1 1 1 -16 2  10 o 435.1867 9.874132 5560.954       252.0142 5409.645       355.5352 5713.747       357.2751 428.6927 14.16062 440.6267 13.84269 -11.93396      19.80261 
1 1 1 -16 2  11 o 315.3677 9.509432 2922.924       175.6815 2977.835       245.7535 2865.534       251.2395 317.9950 13.20612 311.8724 13.76995 6.122589       19.07913 
1 1 1 -16 2  12 o 325.2549 9.333263 3108.985       177.8519 3321.033       258.1018 2917.266       245.4184 335.8224 13.13012 314.6926 13.32768 21.12985       18.70901 
1 1 1 -16 2  13 o 451.4770 9.528678 5986.485       252.3009 5789.330       351.7364 6195.435       362.1042 443.4222 13.54124 458.7341 13.47389 -15.31186      19.10264 
1 1 1 -16 2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2  15 o 768.9021 18.41413 17458.79       830.3721 16702.66       1133.764 18333.71       1219.572 749.1022 25.84534 784.5499 26.54375 -35.44775      37.04797 
1 1 1 -16 2  16 o 331.2598 8.467841 3225.170       164.3750 3166.672       231.4956 3284.655       233.4392 327.8528 12.06019 333.9279 11.93906 -6.075043      16.97025 
1 1 1 -16 2  17 o 362.2179 11.09502 3862.940       235.4161 3692.199       324.0173 4053.846       342.6180 353.3990 15.67235 370.3077 15.81240 -16.90872      22.26330 
1 1 1 -16 2  18 o 124.1770 12.59560 458.8013       90.46227 430.1079       125.1886 490.1563       130.8661 119.1671 18.51320 127.4826 18.00416 -8.315483      25.82418 
1 1 1 -16 2  19 f 217.1108 8.570067 1387.588       108.9086 1449.010       157.8241 1331.750       150.4784 221.4418 12.19956 212.2734 12.13786 9.168442       17.20922 
1 1 1 -16 2  20 o 626.0801 11.04504 11543.52       405.5530 11269.96       566.5019 11831.10       580.8442 617.0928 15.66577 632.4688 15.65922 -15.37598      22.15011 
1 1 1 -16 2  21 o 324.2025 7.959520 3089.638       151.3400 3010.510       213.4661 3169.603       214.5925 319.4147 11.41359 327.7973 11.17878 -8.382599      15.97608 
1 1 1 -16 2  22 o 302.8478 7.871017 2698.242       139.6811 2788.716       199.8703 2611.870       195.2872 307.3970 11.10484 297.4587 11.21437 9.938324       15.78226 
1 1 1 -16 2  23 o 103.2932 13.64657 320.8439       80.64908 311.3983       115.5927 329.8031       112.5771 100.3801 20.33285 103.5996 19.23656 -3.219513      27.99053 
1 1 1 -16 2  24 o 180.1556 9.179583 958.1110       96.66901 912.6085       140.6829 998.8140       133.0569 175.0682 13.81385 183.4515 12.44062 -8.383316      18.59009 
1 1 1 -16 2  25 o 120.6552 12.41302 434.6899       86.58453 331.8594       122.1891 538.4002       122.7106 103.4755 20.85590 133.7192 15.96209 -30.24370      26.26323 
1 1 1 -16 2  26 o 569.3732 10.32506 9559.531       344.7784 9600.968       489.5817 9518.762       485.6229 568.8062 14.68838 566.3900 14.63177 2.416199       20.73252 
1 1 1 -16 2  27 o 341.3628 10.72173 3440.933       214.3841 3380.572       299.9187 3503.998       306.5602 337.1716 15.20621 343.2648 15.26595 -6.093170      21.54711 
1 1 1 -16 2  28 o 409.5829 8.798795 4939.102       211.3564 5012.125       300.1284 4867.259       297.6928 411.5912 12.44772 405.5701 12.53064 6.021149       17.66246 
1 1 1 -16 2  29 o 293.9449 10.47252 2551.672       180.2491 2218.313       358.4457 2664.499       208.5332 270.4374 22.81241 300.0825 11.87250 -29.64508      25.71697 
1 1 1 -16 2  30 o 337.2417 8.448513 3350.690       166.9668 3368.239       238.0282 3333.691       234.2700 337.3128 12.05157 335.6103 11.92124 1.702484       16.95158 
1 1 1 -16 2  31 o 257.0122 8.602723 1948.201       129.4875 2136.901       192.7004 1792.851       174.8448 268.4014 12.27435 245.8248 12.16544 22.57660       17.28171 
1 1 1 -16 2  32 o 75.57418 20.01062 178.3334       90.07697 118.0218       133.8115 228.3107       121.8089 68.50647 25.25834 85.23136 23.57481 -16.72489      34.55077 
1 1 1 -16 2  33 o 193.3172 9.975078 1107.454       112.7110 1204.904       163.8414 1019.904       155.2964 200.6722 14.00949 184.4197 14.47423 16.25247       20.14371 
1 1 1 -16 2  34 o 38.11595 17.46539 -58.17527      88.19138 -170.6415      129.9094 37.96233       120.1092 40.38311 19.32509 55.71927 22.89880 -15.33617      29.96355 
1 1 1 -16 2  35 o 113.4887 15.09955 392.1476       98.00877 474.1773       144.5786 322.4002       133.3161 123.1844 20.74892 100.4772 23.10644 22.70726       31.05519 
1 1 1 -16 2  36 o 168.6041 12.03007 850.8591       118.1746 888.3240       154.9460 798.7626       182.7142 171.1338 15.60976 160.5791 19.82169 10.55472       25.23022 
1 1 1 -16 2  37 o 203.2670 9.033250 1226.727       107.4176 1012.276       306.4773 1256.760       114.6930 173.3612 31.29497 205.6002 9.537793 -32.23900      32.71612 
1 1 1 -16 2  38 o 219.5746 8.866525 1433.583       113.9441 1302.347       308.0346 1454.387       122.6434 198.2844 27.20518 220.9446 9.486876 -22.66022      28.81185 
1 1 1 -16 2  39 o 239.1787 9.596657 1708.860       134.3416 2257.752       322.3931 1593.524       147.7834 266.3357 20.80478 230.3034 10.97301 36.03226       23.52118 
1 1 1 -16 2  40 o 187.1087 8.910448 1045.871       97.49770 1232.825       138.1250 860.2237       137.6414 201.8564 11.71791 167.2854 14.16241 34.57103       18.38160 
1 1 1 -16 2  41 o 122.6817 15.11375 470.1376       106.4473 353.7131       157.5321 567.9630       144.4018 100.2501 26.42478 132.7390 19.09814 -32.48888      32.60380 
1 1 1 -16 2  42 o 142.7296 12.06582 623.7830       100.0548 761.2401       134.1861 451.6646       150.1542 156.1476 14.83066 115.0116 23.06442 41.13598       27.42109 
1 1 1 -16 2  43 o 126.8791 13.23333 499.8391       97.02555 426.8098       135.0780 577.6794       139.4564 112.4257 21.26529 133.3066 18.32172 -20.88096      28.06952 
1 1 1 -16 2  44 o 134.9770 13.32921 567.8789       104.1392 607.5432       139.9802 518.7151       155.8439 136.5539 17.91011 122.6468 22.49494 13.90708       28.75403 
1 1 1 -16 2  45 o 39.71517 18.60124 -78.20821      108.6174 45.03289       148.5515 -219.7850      159.2192 56.81106 24.50219 41.52395 20.23437 15.28711       31.77715 
1 1 1 -16 2  46 o 30.48220 15.12057 -216.1796      102.7879 -360.5676      149.9829 -88.30273      141.1472 34.62229 17.34294 45.03592 21.12884 -10.41364      27.33505 
1 1 1 -16 2  47 o 83.14351 21.72900 247.5934       107.1130 156.7773       149.7981 342.6073       153.2212 67.88211 26.33085 94.05302 26.59683 -26.17091      37.42600 
1 1 1 -16 2  48 o 53.34854 23.18479 36.88843       135.0607 -102.7623      217.8086 124.1315       172.1547 54.30293 25.71050 65.22559 27.16543 -10.92266      37.40308 
1 1 1 -16 3  1  o 966.3819 18.89056 27495.06       1070.641 28167.52       1872.200 27168.28       1305.104 973.6775 32.83282 959.6519 23.18895 14.02557       40.19604 
1 1 1 -16 3  2  o 996.5715 19.36577 29246.36       1131.863 27007.08       1829.117 30635.89       1440.861 953.3853 32.76185 1018.789 24.11498 -65.40424      40.68011 
1 1 1 -16 3  3  o 972.9631 23.54561 27934.96       1343.560 29828.58       2005.415 26392.79       1809.771 1001.360 34.19806 942.4014 32.79439 58.95825       47.38121 
1 1 1 -16 3  4  o 740.3389 18.69785 16147.47       811.1945 17753.27       1213.886 14851.71       1090.424 774.4401 26.76659 708.3707 26.29291 66.06940       37.52023 
1 1 1 -16 3  5  o 1193.490 19.67219 41959.50       1376.962 42480.97       1970.104 41461.47       1925.306 1198.088 28.03820 1183.741 27.73272 14.34619       39.43658 
1 1 1 -16 3  6  o 206.3861 15.80865 1260.082       189.8923 1340.283       263.6217 1173.592       273.7616 212.1358 21.48523 197.9404 24.07705 14.19545       32.26948 
1 1 1 -16 3  7  o 330.2712 11.31594 3207.420       218.8618 3108.219       301.1747 3318.429       318.5940 324.6822 15.86450 335.4641 16.24177 -10.78192      22.70413 
1 1 1 -16 3  8  o 354.6840 10.54131 3697.451       219.0304 3737.842       303.6773 3653.655       316.2145 356.2478 14.56554 352.1210 15.34913 4.126801       21.16012 
1 1 1 -16 3  9  o 974.0010 16.25541 27916.40       928.5554 28035.44       1317.806 27799.03       1308.594 974.3531 23.06133 970.2552 22.99686 4.097900       32.56809 
1 1 1 -16 3  10 o 558.4728 10.72382 9160.426       351.2386 9332.926       499.6933 8991.963       493.8116 563.0600 15.14583 552.6567 15.25003 10.40332       21.49324 
1 1 1 -16 3  11 o 665.6284 11.88182 13019.45       463.8369 13351.45       669.5004 12713.00       643.2175 673.1194 16.97285 656.8677 16.71022 16.25171       23.81825 
1 1 1 -16 3  12 o 246.6192 10.21818 1789.556       147.4719 1929.530       208.7439 1650.082       208.3700 255.7370 13.97083 236.3031 15.11465 19.43393       20.58244 
1 1 1 -16 3  13 o 254.3397 9.640806 1902.747       143.5460 1911.263       197.2109 1893.152       209.3411 254.5632 13.25511 253.2487 14.15101 1.314484       19.38940 
1 1 1 -16 3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 3  15 o 606.6620 15.18946 10851.83       540.0052 10190.16       725.7854 11672.33       808.2125 586.3508 21.14032 627.3237 22.00170 -40.97284      30.51210 
1 1 1 -16 3  16 o 639.8740 16.07634 12086.14       602.8204 0.000000       0.000000 12086.14       602.8204 ?        ?        639.8740 16.07634 0.000000       16.07634 
1 1 1 -16 3  17 o 118.1169 14.04177 416.9017       95.36961 414.4004       130.0583 419.8109       140.2654 116.7418 19.69611 117.2321 21.18041 -0.4903183     28.92311 
1 1 1 -16 3  18 o 257.5648 8.172205 1951.032       123.2896 1876.832       172.8324 2027.912       175.9243 252.2213 11.71605 262.2297 11.46687 -10.00847      16.39374 
1 1 1 -16 3  19 o 484.6932 9.304298 6908.174       264.4850 6934.771       375.5242 6881.994       372.5699 484.7622 13.22100 482.9252 13.16688 1.837006       18.65909 
1 1 1 -16 3  20 o 291.2599 8.082902 2495.306       137.9362 2392.017       194.2594 2600.341       195.8934 284.6848 11.65970 296.9041 11.27048 -12.21927      16.21642 
1 1 1 -16 3  21 o 234.5625 8.243703 1619.621       113.2285 1663.965       160.5659 1575.755       159.6962 237.3174 11.57136 230.8862 11.83306 6.431213       16.55046 
1 1 1 -16 3  22 o 163.1741 9.894288 786.8339       94.24114 802.5329       130.9944 769.9908       135.6835 164.2228 13.72637 160.6879 14.55541 3.534912       20.00683 
1 1 1 -16 3  23 o 36.73003 16.42616 -30.62159      72.53143 -105.8703      97.18618 63.98567       108.9725 36.84844 17.36383 57.68837 22.43533 -20.83994      28.36982 
1 1 1 -16 3  24 o 122.3110 12.05089 446.0064       85.32243 426.6965       123.6033 463.5830       117.9252 118.3136 18.41208 123.8256 16.66087 -5.512009      24.83121 
1 1 1 -16 3  25 o 163.3935 9.590621 789.2609       91.49940 838.3408       128.8460 739.3281       129.9606 167.8250 13.19682 157.3398 14.23783 10.48524       19.41319 
1 1 1 -16 3  26 f 74.35548 18.87726 171.4464       82.45312 106.3812       116.0296 237.8215       117.1917 64.90408 23.58560 87.27621 22.68847 -22.37214      32.72686 
1 1 1 -16 3  27 o 284.2119 8.291929 2379.185       138.0650 2379.873       194.5897 2378.487       195.9240 283.6288 11.72347 283.5280 11.80845 0.1008301      16.63969 
1 1 1 -16 3  28 o 220.4220 9.112390 1433.280       117.5439 1352.338       163.0704 1520.819       169.5855 213.4109 13.09191 226.4154 12.82364 -13.00450      18.32604 
1 1 1 -16 3  29 f 190.7334 9.889832 1075.197       110.2505 1140.022       157.6799 1013.190       154.2132 195.7004 13.82736 184.3223 14.37941 11.37813       19.94902 
1 1 1 -16 3  30 o 217.0120 9.357306 1390.469       118.8129 1362.047       170.4942 1417.303       165.6634 213.9534 13.65883 218.4155 12.99150 -4.462097      18.85054 
1 1 1 -16 3  31 f 303.7404 10.80620 2728.879       192.1912 2841.578       277.9963 2625.699       265.9992 308.5977 15.40891 296.6374 15.34201 11.96030       21.74424 
1 1 1 -16 3  32 o 251.7342 9.029599 1871.500       133.0936 1959.477       192.4214 1790.804       184.2876 256.6785 12.82304 245.3467 12.85234 11.33173       18.15525 
1 1 1 -16 3  33 o 431.4749 9.074780 5495.484       229.6372 5571.339       330.3373 5424.547       319.4484 432.7421 13.03086 427.1212 12.76694 5.620941       18.24275 
1 1 1 -16 3  34 o 280.8236 8.665492 2329.995       142.5468 2249.481       203.6811 2407.287       199.5651 274.7518 12.67451 284.4811 11.98823 -9.729248      17.44594 
1 1 1 -16 3  35 o 190.9154 10.12660 1082.296       112.9793 1007.399       161.4103 1154.236       158.1922 182.7409 15.19813 196.1374 13.84115 -13.39642      20.55628 
1 1 1 -16 3  36 o 88.70420 19.31553 248.7432       97.63068 142.1951       329.4885 258.9985       102.2212 89.82831 37.50992 90.41563 19.82477 -0.5873184     42.42659 
1 1 1 -16 3  37 o 72.75311 20.68890 168.5901       92.45031 122.8979       299.4639 173.4037       97.19814 84.62849 35.57714 73.75099 21.29057 10.87750       41.46108 
1 1 1 -16 3  38 o 288.8503 7.943255 2473.176       134.4341 1961.380       352.8144 2560.103       145.4031 245.9026 24.80288 293.6791 8.450880 -47.77650      26.20306 
1 1 1 -16 3  39 o 86.35616 18.85167 241.0402       92.79093 -124.3674      282.2872 285.3058       98.25067 65.83135 30.54882 94.30424 18.42550 -28.47289      35.67534 
1 1 1 -16 3  40 o 82.25975 18.67218 220.2680       88.01289 183.2920       269.1393 224.6957       93.13349 82.81126 34.18026 82.79460 19.50346 0.1666260E-01  39.35321 
1 1 1 -16 3  41 o 170.7695 11.28059 883.7347       112.3448 817.2786       145.2838 982.5759       177.1815 161.9054 15.48912 176.3468 17.35639 -14.44142      23.26278 
1 1 1 -16 3  42 o 181.8168 9.423559 994.3788       100.1417 952.1661       137.0215 1042.778       146.7188 175.6719 13.40065 183.6636 13.72024 -7.991745      19.17870 
1 1 1 -16 3  43 o 216.4570 9.259908 1409.715       117.2801 1424.624       162.7116 1393.595       169.1966 215.0125 12.96362 212.0748 13.67646 2.937775       18.84413 
1 1 1 -16 3  44 o 97.91554 19.26369 321.0660       106.6798 423.1124       150.0297 216.7067       151.7205 109.2240 24.07112 77.57124 27.09894 31.65281       36.24598 
1 1 1 -16 3  45 o 63.67961 22.80639 133.5285       108.0114 123.3828       152.1745 143.8294       153.3344 65.17406 26.14214 67.59696 26.51864 -2.422905      37.23775 
1 1 1 -16 3  46 o 40.85191 18.97247 -62.25709      109.2165 -6.665495      155.7985 -115.9722      153.1465 52.99957 23.85809 45.38430 21.50876 7.615273       32.12219 
1 1 1 -16 3  47 o 40.19522 19.45737 -169.4581      140.8654 0.000000       0.000000 -169.4581      140.8654 ?        ?        40.19522 19.45737 0.000000       19.45737 
1 1 1 -16 3  48 o 153.4628 14.99918 757.4471       133.2746 834.7324       227.8641 717.2612       164.3102 147.5120 27.34562 144.7178 19.88457 2.794250       33.81093 
1 1 1 -16 4  1  o 1865.213 34.90718 103439.6       3818.507 94412.85       6114.416 109211.2       4889.144 1758.363 59.37716 1909.147 43.66595 -150.7843      73.70456 
1 1 1 -16 4  2  o 765.1370 15.71010 17215.88       704.9667 15570.84       1112.181 18320.72       911.4598 725.3804 26.18619 788.6674 19.70576 -63.28699      32.77245 
1 1 1 -16 4  3  o 1086.167 25.60569 34858.29       1631.111 0.000000       0.000000 34858.29       1631.111 ?        ?        1086.167 25.60569 0.000000       25.60569 
1 1 1 -16 4  4  o 460.6487 14.64043 6244.371       395.0231 5748.972       518.1081 6932.170       610.4832 441.2824 20.07206 484.4189 21.54218 -43.13657      29.44407 
1 1 1 -16 4  5  o 593.3518 13.32743 10345.91       463.7771 10387.76       777.9594 10322.83       577.6444 592.9858 22.41013 592.1055 16.65108 0.8803101      27.91903 
1 1 1 -16 4  6  o 380.4355 10.97294 4253.853       244.5684 4320.392       336.2899 4179.151       356.3227 383.0219 14.99962 376.5676 16.17199 6.454254       22.05724 
1 1 1 -16 4  7  o 499.4610 10.73615 7325.802       314.4854 7447.905       442.1578 7200.793       447.3874 503.0364 15.00421 494.5585 15.44358 8.477875       21.53208 
1 1 1 -16 4  8  o 348.6868 10.33247 3573.346       211.0625 3529.877       288.9652 3623.057       309.0176 346.2020 14.26253 350.6630 15.06109 -4.461029      20.74261 
1 1 1 -16 4  9  o 111.0303 22.24945 376.7170       139.8292 382.7461       180.6688 367.7110       220.8146 111.4974 27.74176 110.1700 32.17428 1.327324       42.48281 
1 1 1 -16 4  10 o 335.2997 9.566726 3303.732       187.9329 3499.171       267.8470 3114.219       263.7549 344.7539 13.27208 325.1471 13.86335 19.60684       19.19220 
1 1 1 -16 4  11 o 584.3257 10.84263 10030.24       371.5695 10204.72       530.5746 9862.314       520.5267 588.6521 15.38188 578.6905 15.35076 9.961609       21.73127 
1 1 1 -16 4  12 o 165.1382 12.51711 806.3314       120.3249 666.8778       156.1395 1010.243       188.8073 149.3064 18.20745 184.2979 17.68497 -34.99142      25.38247 
1 1 1 -16 4  13 o 502.2384 9.980925 7410.192       293.9891 7352.140       418.0821 7466.975       413.4827 499.5904 14.28378 503.5222 14.01558 -3.931763      20.01156 
1 1 1 -16 4  14 f 801.3240 27.58849 19136.45       1294.608 0.000000       0.000000 19136.45       1294.608 ?        ?        801.3240 27.58849 0.000000       27.58849 
1 1 1 -16 4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 4  16 o 606.4041 10.88739 10813.76       387.2010 10745.98       549.6679 10880.52       545.5253 603.4174 15.54511 607.2385 15.33037 -3.821167      21.83279 
1 1 1 -16 4  17 o 709.6863 12.23053 14827.93       509.0520 14944.77       725.8367 14714.83       714.1229 711.0317 17.40602 705.5886 17.25722 5.443176       24.51084 
1 1 1 -16 4  18 o 121.6492 12.57468 440.5618       88.42149 397.2896       119.6063 492.7124       131.3046 114.4195 18.45141 127.7926 18.01915 -13.37305      25.79039 
1 1 1 -16 4  19 o 443.8834 8.876937 5792.754       231.0907 5818.099       329.7584 5768.294       323.9425 444.0784 12.67448 442.2080 12.50337 1.870392       17.80384 
1 1 1 -16 4  20 o 345.3856 8.096714 3506.407       164.0074 3307.276       228.5165 3717.941       235.5253 334.8089 11.65555 355.0700 11.32475 -20.26114      16.25121 
1 1 1 -16 4  21 o 345.2262 8.107978 3503.924       164.1598 3576.374       234.9142 3434.778       229.4947 348.1303 11.52167 341.1682 11.48612 6.962128       16.26899 
1 1 1 -16 4  22 o 352.0697 8.139496 3645.089       168.0647 3814.765       245.9725 3496.512       230.1723 359.4456 11.68370 344.1626 11.41933 15.28305       16.33738 
1 1 1 -16 4  23 o 112.3930 12.79690 377.9683       82.85117 311.9655       118.3166 441.4716       116.0547 100.3612 20.78599 120.7859 16.84033 -20.42465      26.75171 
1 1 1 -16 4  24 o 165.0236 9.620996 804.9261       92.71050 902.2881       131.3793 708.3512       130.8472 174.2200 12.95078 153.9268 14.67163 20.29320       19.56986 
1 1 1 -16 4  25 o 180.7127 9.254255 964.3696       97.75346 1015.797       141.9116 917.9346       134.8473 184.8329 13.17791 175.6564 13.18588 9.176483       18.64202 
1 1 1 -16 4  26 o 257.8495 8.200431 1958.472       123.8514 1966.680       179.2536 1950.975       171.3203 257.7515 11.89016 256.8152 11.40307 0.9363098      16.47441 
1 1 1 -16 4  27 o 188.8153 9.517933 1052.994       105.0576 1063.118       149.0456 1042.997       148.1067 189.0356 13.53343 187.2197 13.58112 1.815918       19.17291 
1 1 1 -16 4  28 o 525.1533 10.02318 8129.338       308.7040 8447.965       450.4294 7847.110       423.9222 533.6835 14.40422 514.4782 14.06294 19.20532       20.13077 
1 1 1 -16 4  29 o 466.3622 9.378407 6407.980       256.5092 6337.531       363.2538 6478.046       362.2659 462.4661 13.40721 467.6354 13.22226 -5.169281      18.83033 
1 1 1 -16 4  30 o 285.0489 8.642797 2395.182       144.3186 2616.347       212.4087 2205.537       196.6909 297.1684 12.21365 272.7742 12.32691 24.39420       17.35298 
1 1 1 -16 4  31 o 119.2792 14.35003 428.5736       98.37098 494.9686       145.4662 372.6247       133.5336 126.8068 20.24006 109.3220 21.59360 17.48484       29.59634 
1 1 1 -16 4  32 o 139.3210 13.07703 581.1793       105.6013 606.8480       139.4042 546.6163       161.7635 141.3701 17.16516 132.7773 21.50852 8.592850       27.51834 
1 1 1 -16 4  33 o 327.4918 8.549008 3165.890       164.0572 3372.841       241.3801 2988.215       223.6561 336.8787 12.23770 317.1295 12.04714 19.74921       17.17250 
1 1 1 -16 4  34 o 139.4104 12.59519 582.4359       101.8699 657.7571       150.1734 518.2330       138.6474 146.7330 17.81533 129.7151 18.77009 17.01790       25.87860 
1 1 1 -16 4  35 o 144.0535 11.17953 619.4956       93.71031 816.3254       326.8026 601.8613       97.81811 154.3958 36.64394 141.8159 11.86977 12.57986       38.51844 
1 1 1 -16 4  36 o 80.83347 20.15685 207.8868       95.22643 260.8233       328.6053 203.0338       99.49575 98.42612 38.75816 79.80488 20.98373 18.62125       44.07393 
1 1 1 -16 4  37 o 67.49602 20.48577 143.0277       88.17765 132.3063       319.2454 143.9132       91.74675 86.78251 36.62198 67.81497 20.95617 18.96754       42.19396 
1 1 1 -16 4  38 o 221.9355 8.856676 1465.162       115.0469 1135.959       331.9749 1510.096       122.6474 180.2141 32.61002 225.1519 9.308287 -44.93774      33.91249 
1 1 1 -16 4  39 o 196.8204 8.907816 1155.357       102.5569 1629.748       320.7833 1101.347       108.2376 221.9267 25.08552 191.8760 9.649463 30.05072       26.87742 
1 1 1 -16 4  40 o 83.54875 18.70964 227.3008       89.39155 625.9130       275.0530 180.2258       94.52273 127.3470 35.50191 73.86343 20.89086 53.48359       41.19240 
1 1 1 -16 4  41 o 195.2868 17.50293 1205.781       198.3393 1485.529       312.0841 1016.232       256.8913 208.2100 26.13165 171.6999 26.35144 36.51013       37.11148 
1 1 1 -16 4  42 f 103.3233 16.64455 342.4933       97.43455 172.1373       134.2300 532.2205       141.6562 72.00190 25.46198 127.3670 19.59066 -55.36512      32.12642 
1 1 1 -16 4  43 o 94.15355 18.65557 293.2498       99.37077 259.8631       139.7132 327.4305       141.3644 84.92760 25.78852 95.72356 24.93587 -10.79597      35.87263 
1 1 1 -16 4  44 f 226.1230 9.378513 1543.145       124.1039 1429.612       172.0284 1666.357       179.2108 214.1585 13.76961 231.7791 13.23882 -17.62062      19.10154 
1 1 1 -16 4  45 o 89.38798 20.94577 277.4701       107.8757 368.9087       155.0948 191.7758       150.1442 99.26639 26.24509 73.38593 26.80522 25.88046       37.51433 
1 1 1 -16 4  46 o 78.83796 26.22170 233.6358       141.7605 89.39742       326.4236 267.1627       157.3759 73.26408 33.58222 83.10033 27.62787 -9.836258      43.48638 
1 1 1 -16 4  47 o 88.93661 21.80400 283.2278       112.8368 264.4978       172.0387 297.3677       149.4796 81.32215 28.81932 87.32629 26.70616 -6.004143      39.29087 
1 1 1 -16 4  48 o 51.71604 22.52276 29.98644       128.0224 -55.74282      212.3452 78.94267       160.4656 56.02299 26.16387 60.00401 25.66533 -3.981022      36.65047 
1 1 1 -16 5  1  o 1753.812 32.84780 91335.61       3378.623 82809.22       5375.316 96904.01       4343.965 1649.993 55.62793 1800.101 41.14708 -150.1083      69.19212 
1 1 1 -16 5  2  o 2143.348 49.56974 138608.8       6231.031 0.000000       0.000000 138608.8       6231.031 ?        ?        2143.348 49.56974 0.000000       49.56974 
1 1 1 -16 5  3  o 1185.347 27.76112 41578.82       1929.892 0.000000       0.000000 41578.82       1929.892 ?        ?        1185.347 27.76112 0.000000       27.76112 
1 1 1 -16 5  4  o 961.0358 18.61839 27196.37       1049.379 26545.73       1764.881 27552.19       1305.149 945.1598 31.88466 966.2365 23.03170 -21.07672      39.33307 
1 1 1 -16 5  5  o 496.1152 11.00680 7228.222       320.2536 7522.442       452.3300 6932.495       453.4862 505.5355 15.27396 485.2037 15.95808 20.33179       22.08968 
1 1 1 -16 5  6  o 609.0991 11.67441 10897.85       417.0357 10916.44       587.1519 10878.91       592.4387 608.8842 16.45749 607.8086 16.63545 1.075562       23.40058 
1 1 1 -16 5  7  o 297.8060 11.28547 2608.691       196.7511 2452.387       261.3832 2813.035       298.8645 288.3286 15.51465 308.7383 16.56634 -20.40976      22.69687 
1 1 1 -16 5  8  o 366.0123 10.21339 3936.892       219.0238 4066.817       307.5258 3803.146       312.0159 371.6437 14.13503 359.2995 14.83902 12.34421       20.49379 
1 1 1 -16 5  9  o 215.3850 12.34018 1367.674       155.2266 1491.863       209.0398 1215.021       231.7613 224.5966 15.97421 202.0517 19.81260 22.54486       25.45023 
1 1 1 -16 5  10 o 234.7654 10.65088 1622.205       146.2639 1638.680       192.4164 1599.656       225.1059 235.6419 13.98612 232.5015 16.61819 3.140411       21.72040 
1 1 1 -16 5  11 o 316.9659 9.367984 2952.781       173.9532 2991.400       242.5276 2911.864       249.6405 318.7011 13.00289 314.3670 13.57225 4.334045       18.79578 
1 1 1 -16 5  12 o 368.7426 9.175217 3993.023       198.4221 4060.766       282.6607 3927.211       278.6058 371.3590 12.99843 365.1900 13.02919 6.169006       18.40432 
1 1 1 -16 5  13 o 373.3160 9.042404 4093.048       197.9753 4067.951       279.2962 4118.391       280.6677 371.6589 12.83282 373.9608 12.81616 -2.301849      18.13657 
1 1 1 -16 5  14 o 146.4707 14.37849 637.7822       121.9235 565.5311       141.0125 851.7686       242.6772 137.2774 17.94405 167.4838 25.51076 -30.20647      31.18954 
1 1 1 -16 5  15 o 349.6072 8.519210 3589.988       174.6748 3529.142       246.9076 3650.953       247.1475 346.1238 12.18232 352.0790 11.98669 -5.955231      17.09063 
1 1 1 -16 5  16 o 444.3299 12.73670 5817.419       331.5620 0.000000       0.000000 5817.419       331.5620 ?        ?        444.3299 12.73670 0.000000       12.73670 
1 1 1 -16 5  17 o 351.4135 9.251160 3632.293       190.4966 3437.877       299.8119 3763.924       246.6953 341.0145 15.02773 357.3929 11.78579 -16.37842      19.09810 
1 1 1 -16 5  18 o 542.6402 10.04305 8661.320       319.6158 8681.520       454.8364 8641.615       449.2258 542.2266 14.31542 541.0159 14.17027 1.210693       20.14268 
1 1 1 -16 5  19 o 93.08848 15.98648 263.3795       84.13372 295.8171       116.8886 228.5083       121.1943 97.89409 20.98958 86.06647 23.39984 11.82761       31.43430 
1 1 1 -16 5  20 o 53.56673 19.47202 70.28465       79.09428 42.70274       105.8659 105.1314       118.9939 54.29338 21.79537 65.38599 23.86624 -11.09260      32.32082 
1 1 1 -16 5  21 o 342.2928 8.102324 3444.818       162.6514 3368.556       232.3397 3518.113       227.7760 337.7904 11.74591 345.3091 11.26239 -7.518646      16.27292 
1 1 1 -16 5  22 f 204.1291 8.526633 1227.889       101.8534 1286.154       145.9598 1172.589       142.1987 208.4356 11.99079 198.9477 12.24662 9.487839       17.13939 
1 1 1 -16 5  23 f 282.1057 7.966754 2342.626       131.6766 2459.929       193.2056 2240.880       179.9391 288.5109 11.44113 275.3972 11.16392 13.11368       15.98538 
1 1 1 -16 5  24 o 140.0532 10.80097 581.9178       88.03194 611.3401       126.7830 554.5268       122.3284 142.7474 15.38682 135.8222 15.64232 6.925186       21.94166 
1 1 1 -16 5  25 o 78.16740 17.99273 189.2874       80.77440 147.8327       116.5683 227.5779       112.0313 71.57191 23.77710 85.43200 22.17043 -13.86009      32.50967 
1 1 1 -16 5  26 f 293.6078 8.071124 2538.396       138.8481 2661.763       204.4888 2432.865       189.1309 299.9980 11.64464 286.8689 11.26350 13.12912       16.20075 
1 1 1 -16 5  27 o 447.7804 9.109865 5905.023       239.2366 5892.174       343.8418 5917.080       333.0782 446.0645 13.15786 447.1516 12.71399 -1.087128      18.29686 
1 1 1 -16 5  28 o 413.1727 9.920123 5031.559       240.3805 4732.013       389.8703 5215.271       305.3212 398.4863 16.71946 419.8646 12.41293 -21.37827      20.82357 
1 1 1 -16 5  29 o 278.0606 10.63993 2284.504       173.1916 2142.826       242.5807 2431.808       247.3487 268.1462 15.49126 285.9041 14.80198 -17.75784      21.42610 
1 1 1 -16 5  30 o 221.8068 9.235173 1452.475       119.8724 1434.556       174.9278 1468.339       164.5941 219.5567 13.65262 222.3594 12.67391 -2.802689      18.62853 
1 1 1 -16 5  31 o 475.8755 9.489154 6679.885       264.8326 6899.129       388.5876 6489.727       361.8950 481.8714 13.76425 467.5855 13.21011 14.28589       19.07778 
1 1 1 -16 5  32 o 198.5071 9.776841 1166.553       113.4715 1352.843       165.4393 1001.065       155.9286 212.9786 13.31157 182.7353 14.67288 30.24330       19.81139 
1 1 1 -16 5  33 o 314.0027 8.612032 2911.187       158.4453 2875.778       233.0425 2941.626       216.0698 310.7990 12.81260 314.7253 11.72659 -3.926331      17.36881 
1 1 1 -16 5  34 o 50.24338 19.66841 48.36227       84.19554 -209.5814      327.1248 66.66193       87.13097 70.88530 32.89117 53.76013 20.27010 17.12517       38.63555 
1 1 1 -16 5  35 o 69.39616 21.03852 149.1556       93.03676 -304.2803      348.5403 183.9430       96.53968 69.21128 32.69559 76.29993 20.94193 -7.088654      38.82738 
1 1 1 -16 5  36 o 109.5993 15.90717 369.2945       99.26299 746.9998       346.7817 335.5858       103.5977 144.2443 39.73082 103.8420 17.64139 40.40231       43.47133 
1 1 1 -16 5  37 o 193.6523 9.566208 1116.320       108.3095 986.7438       339.9547 1130.959       114.2639 166.9882 35.78843 194.7753 10.03672 -27.78709      37.16917 
1 1 1 -16 5  38 o 232.5134 13.29302 1637.360       180.5130 1233.276       343.9792 1790.936       212.0592 187.7317 32.41372 242.1650 15.00492 -54.43332      35.71830 
1 1 1 -16 5  39 o 77.49094 19.12390 195.4071       86.37421 241.2881       289.0535 190.9086       90.50956 89.44012 35.97621 76.39041 19.97888 13.04971       41.15147 
1 1 1 -16 5  40 o 48.07772 19.76196 34.82621       89.47729 -259.9300      274.1487 69.96883       94.66115 58.23962 27.92428 54.07557 20.94345 4.164051       34.90549 
1 1 1 -16 5  41 o 197.9968 9.391562 1176.142       108.7444 904.0079       307.3269 1215.090       116.2661 152.8283 35.03789 201.0081 9.892941 -48.17976      36.40775 
1 1 1 -16 5  42 o 134.9662 12.19297 559.4055       95.47298 471.5001       125.4600 680.3488       147.1596 120.4871 18.33196 145.6013 17.58953 -25.11425      25.40575 
1 1 1 -16 5  43 o 187.3121 9.721553 1059.620       106.4298 996.5216       147.5936 1127.972       153.6160 178.7335 14.19683 190.4871 13.84507 -11.75360      19.83018 
1 1 1 -16 5  44 o 190.4063 10.22520 1101.191       113.7647 1071.472       162.1694 1129.988       159.6357 184.0762 15.15590 189.6718 14.45981 -5.595535      20.94725 
1 1 1 -16 5  45 o 172.5845 11.68885 917.9666       117.6127 1011.736       165.0945 821.3380       167.5927 177.5426 16.02791 157.6741 18.47345 19.86848       24.45736 
1 1 1 -16 5  46 f 54.47931 21.84340 74.88923       106.1975 279.7725       153.9419 -111.1505      146.6920 85.05490 27.26454 44.54285 21.09248 40.51205       34.47097 
1 1 1 -16 5  47 o 139.9963 14.62726 627.4573       118.3263 534.3764       166.5099 722.4147       168.1800 120.6571 24.37088 144.9936 20.33597 -24.33649      31.74100 
1 1 1 -16 5  48 o 70.81456 23.99454 184.0078       118.6590 558.0940       183.1586 -86.55677      155.7675 120.5816 26.61352 47.00329 22.09729 73.57827       34.59147 
1 1 1 -16 6  1  o 902.6368 17.76639 23982.68       940.5085 23816.34       1590.831 24072.05       1166.130 895.7598 30.32555 903.4012 22.00979 -7.641357      37.47092 
1 1 1 -16 6  2  o 562.0257 16.24328 9299.920       534.8409 0.000000       0.000000 9299.920       534.8409 ?        ?        562.0257 16.24328 0.000000       16.24328 
1 1 1 -16 6  3  o 994.9245 19.17960 29157.75       1119.129 28696.19       1894.531 29405.13       1386.984 982.2041 32.93550 997.9576 23.69784 -15.75348      40.57505 
1 1 1 -16 6  4  o 488.1147 12.00693 6999.101       343.7197 6829.911       539.4053 7114.767       445.9940 481.1389 19.15416 491.5979 15.48855 -10.45908      24.63284 
1 1 1 -16 6  5  o 1166.830 22.14565 40172.53       1515.467 39832.13       2586.155 40350.55       1870.216 1154.219 38.25746 1167.533 27.31317 -13.31335      47.00684 
1 1 1 -16 6  6  o 474.8088 10.53785 6620.386       293.4413 6691.068       411.7627 6547.445       418.2917 476.7825 14.74342 471.5839 15.14374 5.198669       21.13531 
1 1 1 -16 6  7  o 704.5016 12.64827 14585.15       522.5933 14465.25       733.4653 14708.78       744.7816 700.6332 17.86458 706.4859 17.98989 -5.852661      25.35309 
1 1 1 -16 6  8  o 363.7962 9.817410 3888.918       209.2707 4109.828       295.0615 3665.317       296.8535 373.6603 13.48646 352.7523 14.37915 20.90802       19.71407 
1 1 1 -16 6  9  o 716.9077 12.60772 15106.11       530.0908 15044.88       746.8643 15168.28       752.4907 714.6290 17.82012 717.5423 17.88147 -2.913330      25.24487 
1 1 1 -16 6  10 o 483.5173 9.972525 6866.209       282.7923 6807.087       396.0041 6927.734       403.9724 480.8607 14.05712 485.0856 14.21515 -4.224823      19.99183 
1 1 1 -16 6  11 o 406.0070 9.355528 4840.914       222.7678 4907.161       313.3847 4773.247       316.7243 408.2784 13.10490 402.6233 13.43199 5.655090       18.76584 
1 1 1 -16 6  12 o 126.9654 15.46659 481.7014       112.7940 584.1962       145.3154 326.3549       178.9004 139.5702 18.18488 103.1753 28.58261 36.39489       33.87706 
1 1 1 -16 6  13 o 238.9133 10.74004 1680.982       150.1015 2095.838       224.7731 1347.075       201.6548 266.4065 14.44028 213.1651 16.25282 53.24144       21.74110 
1 1 1 -16 6  14 o 389.9435 8.885059 4466.459       203.1948 4355.369       285.9548 4579.762       288.7878 384.5156 12.69782 394.3338 12.50298 -9.818207      17.82018 
1 1 1 -16 6  15 o 639.3431 11.32666 12022.60       424.7040 11902.97       598.7766 12143.73       602.4850 634.9811 16.09176 641.5917 16.01168 -6.610596      22.70063 
1 1 1 -16 6  16 o 884.8983 20.99216 23224.92       1089.434 0.000000       0.000000 23224.92       1089.434 ?        ?        884.8983 20.99216 0.000000       20.99216 
1 1 1 -16 6  17 f 789.1022 15.39690 18384.05       712.5527 16498.21       1127.026 19639.86       919.6943 742.5071 25.92086 814.0500 19.26380 -71.54297      32.29527 
1 1 1 -16 6  18 o 394.5492 8.586926 4575.549       198.6962 4691.260       286.0067 4467.602       276.2451 398.8392 12.24171 389.2293 12.11624 9.609833       17.22390 
1 1 1 -16 6  19 o 455.5953 9.099501 6104.408       243.1349 6129.224       349.0668 6081.024       338.8502 455.6315 13.07657 453.9130 12.74132 1.718567       18.25754 
1 1 1 -16 6  20 o 396.4289 8.490330 4621.125       197.3969 4630.763       286.8529 4612.455       272.0572 396.0425 12.36515 395.3887 11.74538 0.6537781      17.05435 
1 1 1 -16 6  21 o 185.9126 9.148689 1019.484       99.44485 1036.828       139.2527 1001.433       142.0619 186.9783 12.77553 183.6606 13.27864 3.317719       18.42652 
1 1 1 -16 6  22 o 192.6526 8.917985 1094.567       100.4876 1109.349       141.7404 1079.630       142.4843 193.4163 12.56338 190.7546 12.81052 2.661667       17.94290 
1 1 1 -16 6  23 o 178.1630 9.215223 937.1013       95.96117 912.3970       139.2288 959.4567       132.4444 175.0829 13.66744 179.7549 12.64392 -4.671936      18.61901 
1 1 1 -16 6  24 f 79.58073 17.69893 195.8837       80.46992 277.5612       109.8355 101.2425       118.2311 94.55251 20.40622 64.46124 23.74662 30.09126       31.31000 
1 1 1 -16 6  25 o 574.0736 10.46494 9719.229       352.3342 9449.517       493.7549 9999.052       502.9231 564.2015 14.93512 580.4562 14.78547 -16.25470      21.01590 
1 1 1 -16 6  26 o 535.3029 11.68140 8462.683       366.7287 8127.023       437.4032 9257.010       672.8713 523.4835 14.26045 555.3102 20.69695 -31.82672      25.13413 
1 1 1 -16 6  27 o 343.9831 10.22097 3491.565       205.9670 4042.829       452.4199 3347.440       231.3300 366.5129 21.13723 336.4648 11.74107 30.04810       24.17923 
1 1 1 -16 6  28 o 242.5663 9.587218 1736.364       136.1186 1718.881       215.1808 1748.026       175.7509 240.1539 15.35838 242.8702 12.37964 -2.716309      19.72651 
1 1 1 -16 6  29 o 319.1704 8.586282 3001.559       160.5771 3076.981       235.6028 2936.131       219.4385 322.3049 12.48779 314.9763 11.90053 7.328613       17.25014 
1 1 1 -16 6  30 o 352.0634 9.322949 3656.492       192.3279 3583.395       320.2805 3697.717       240.5224 346.5926 15.79808 353.4619 11.61858 -6.869293      19.61047 
1 1 1 -16 6  31 o 262.3105 9.197012 2031.622       141.2669 2006.499       224.4585 2048.101       181.7855 259.2660 14.82361 262.7871 11.82548 -3.521118      18.96263 
1 1 1 -16 6  32 o 432.7079 9.093315 5525.468       230.7637 5597.330       339.5763 5463.805       314.5564 433.7251 13.36567 428.8970 12.51872 4.828064       18.31282 
1 1 1 -16 6  33 o 87.07373 17.63646 235.8574       86.97246 23.99183       401.2588 246.3016       89.09037 90.96008 39.73923 89.01208 17.68939 1.947998       43.49852 
1 1 1 -16 6  34 o 73.20831 20.47099 168.0312       91.30287 291.8781       362.6564 159.6501       94.34168 104.6116 40.85831 71.62105 21.06177 32.99056       45.96738 
1 1 1 -16 6  35 o 507.2335 9.115328 7608.979       271.1632 7734.220       676.6078 7585.014       295.9717 499.5471 23.15759 506.0123 9.973295 -6.465240      25.21390 
1 1 1 -16 6  36 o 36.20340 17.05189 -95.88760      93.52876 -851.7232      364.4995 -42.61509      96.76868 55.11763 27.52305 41.59623 18.75686 13.52140       33.30672 
1 1 1 -16 6  37 o 170.2204 10.01797 864.8616       99.56750 1017.619       344.4337 850.9325       104.0080 169.1370 35.83834 168.6729 10.56717 0.4641266      37.36378 
1 1 1 -16 6  38 o 57.41348 20.71737 91.75198       89.32159 757.3902       332.4553 39.96470       92.73116 140.2810 39.00257 49.81567 20.25420 90.46529       43.94807 
1 1 1 -16 6  39 o 272.5855 10.16461 2226.153       162.2118 2427.489       362.4237 2175.717       181.3950 273.3564 22.81453 268.6536 11.53974 4.702789       25.56694 
1 1 1 -16 6  40 o 193.2965 9.491570 1119.619       107.2711 1168.059       332.1254 1113.978       113.3459 178.4380 32.95042 192.5488 10.07227 -14.11082      34.45549 
1 1 1 -16 6  41 o 92.01389 19.20500 278.3782       100.2839 0.000000       0.000000 278.3782       100.2839 ?        ?        92.01389 19.20500 0.000000       19.20500 
1 1 1 -16 6  42 o 160.4061 10.60489 780.6797       99.20514 1390.245       329.6836 719.9901       104.0265 194.7229 29.81658 153.4918 11.64286 41.23112       32.00913 
1 1 1 -16 6  43 o 49.17543 20.40105 39.28344       96.55511 -45.74556      136.0187 125.6529       137.0867 47.82979 21.83067 65.20007 25.21660 -17.37027      33.35349 
1 1 1 -16 6  44 o 117.8980 14.76774 441.3027       99.87675 628.2244       134.6811 212.8979       148.8776 139.4546 16.80573 76.73672 26.84132 62.71785       31.66842 
1 1 1 -16 6  45 o 38.22396 17.86138 -69.44794      99.18935 -19.90864      129.0796 -140.8819      155.0011 48.05359 21.66640 44.45111 21.22742 3.602474       30.33209 
1 1 1 -16 6  46 o 62.67717 21.97613 132.1618       99.83630 -17.72265      141.1811 282.0835       141.1986 49.94153 22.57520 86.25411 25.86763 -36.31258      34.33328 
1 1 1 -16 6  47 o 45.23516 20.41292 -18.80179      114.8571 -28.83678      162.7886 -8.854157      162.0786 51.85077 23.74768 53.16311 24.09431 -1.312340      33.83029 
1 1 1 -16 6  48 o 51.21872 22.01760 38.01474       119.1955 305.2467       181.1745 -165.9276      158.2729 85.45453 29.62731 43.11187 20.80939 42.34266       36.20508 
1 1 1 -16 7  1  o 1044.417 24.56537 32228.59       1504.693 33757.65       2187.195 30854.66       2073.286 1064.207 35.09175 1017.511 34.79436 46.69623       49.41739 
1 1 1 -16 7  2  o 627.2443 13.60510 11563.94       500.4824 11383.75       818.5189 11671.53       632.4941 620.6821 22.52318 629.4938 17.14823 -8.811768      28.30822 
1 1 1 -16 7  3  o 908.8516 21.95922 24370.50       1170.470 0.000000       0.000000 24370.50       1170.470 ?        ?        908.8516 21.95922 0.000000       21.95922 
1 1 1 -16 7  4  o 780.5217 19.42581 17951.43       889.2312 0.000000       0.000000 17951.43       889.2312 ?        ?        780.5217 19.42581 0.000000       19.42581 
1 1 1 -16 7  5  o 706.9312 14.46916 14694.95       599.8890 14603.78       1002.511 14745.80       748.7311 702.5551 24.36780 707.3843 18.06239 -4.829224      30.33216 
1 1 1 -16 7  6  o 227.5321 12.11299 1525.398       161.0559 1388.963       211.2460 1714.791       248.8906 216.5891 16.76068 240.6657 17.75881 -24.07657      24.41916 
1 1 1 -16 7  7  o 336.5099 10.14782 3328.356       200.0436 3339.595       271.0424 3314.909       296.4739 336.7506 13.75286 335.3529 15.11302 1.397675       20.43391 
1 1 1 -16 7  8  o 752.4614 13.08009 16644.53       577.2256 17094.81       831.7222 16226.13       801.7434 761.5987 18.62094 742.0353 18.42300 19.56335       26.19439 
1 1 1 -16 7  9  o 451.4791 9.946618 5986.320       263.3683 5889.264       362.3799 6094.979       383.4290 447.2735 13.83129 454.9533 14.38845 -7.679810      19.95826 
1 1 1 -16 7  10 o 227.0389 10.60283 1517.645       140.7899 1663.371       188.0311 1331.694       212.4031 237.4232 13.56019 211.8927 17.24092 25.53050       21.93463 
1 1 1 -16 7  11 o 483.3746 9.905855 6863.567       280.8189 6799.231       394.6745 6929.534       399.6479 480.4794 14.02099 485.0590 14.06343 -4.579651      19.85870 
1 1 1 -16 7  12 o 567.9579 10.66384 9479.932       355.2061 9455.178       502.3839 9504.676       502.2906 566.3873 15.13775 567.8770 15.09509 -1.489746      21.37786 
1 1 1 -16 7  13 o 528.9129 19.25902 8277.482       596.4075 8277.482       596.4075 0.000000       0.000000 528.9129 19.25902 ?        ?        0.000000       19.25902 
1 1 1 -16 7  14 o 747.7430 12.81797 16456.67       562.1108 16160.95       785.6239 16766.85       804.6056 739.6264 18.11139 753.3328 18.21150 -13.70642      25.68426 
1 1 1 -16 7  15 o 597.2847 15.21818 10528.02       532.6485 0.000000       0.000000 10528.02       532.6485 ?        ?        597.2847 15.21818 0.000000       15.21818 
1 1 1 -16 7  16 o 629.0714 15.77896 11690.62       581.6825 0.000000       0.000000 11690.62       581.6825 ?        ?        629.0714 15.77896 0.000000       15.77896 
1 1 1 -16 7  17 o 391.1425 12.11417 4510.475       277.5589 0.000000       0.000000 4510.475       277.5589 ?        ?        391.1425 12.11417 0.000000       12.11417 
1 1 1 -16 7  18 o 343.3507 10.99191 3474.416       221.0557 3685.569       307.9848 3250.055       317.4710 352.9063 14.91419 331.0390 16.40322 21.86731       22.16977 
1 1 1 -16 7  19 o 381.8076 8.505693 4286.035       190.4604 4304.300       273.9148 4268.938       265.0094 381.8880 12.24590 380.3840 11.89385 1.503967       17.07120 
1 1 1 -16 7  20 o 271.9729 8.331117 2177.032       132.7294 2189.810       192.6418 2165.485       183.1343 272.2207 12.09664 270.7921 11.55801 1.428558       16.73070 
1 1 1 -16 7  21 o 617.3964 10.97431 11235.03       397.3672 11298.93       568.7590 11174.09       555.4032 617.2980 15.72304 613.9987 15.43600 3.299255       22.03371 
1 1 1 -16 7  22 o 38.07054 16.85341 -23.84778      74.39762 -71.54202      97.62615 42.21756       114.9000 39.71052 18.26226 55.85963 22.60623 -16.14911      29.06118 
1 1 1 -16 7  23 o 43.53484 18.22138 10.72348       78.02320 98.23576       105.0051 -97.15298      116.5840 62.18878 22.45972 42.39851 19.66014 19.79027       29.84896 
1 1 1 -16 7  24 o 162.0726 9.937538 777.0541       94.00390 818.1110       131.5980 734.2766       134.3271 165.6871 13.66421 156.6853 14.79301 9.001862       20.13812 
1 1 1 -16 7  25 f 198.8725 9.154387 1167.293       106.4849 1370.551       157.1709 994.8282       144.7763 214.9536 12.52164 182.8142 13.60065 32.13937       18.48701 
1 1 1 -16 7  26 o 298.8469 9.603381 2634.179       168.0967 2893.921       223.0902 2293.013       255.6772 312.7047 12.18787 277.4072 15.78043 35.29752       19.93906 
1 1 1 -16 7  27 o 144.7469 12.10730 623.2698       101.8390 725.6710       144.3757 521.8658       143.6710 155.4808 16.06419 130.8279 19.30410 24.65291       25.11387 
1 1 1 -16 7  28 o 461.3875 10.45368 6278.722       282.8692 6174.715       469.3959 6338.031       354.4614 454.8066 17.63135 462.6270 13.07746 -7.820435      21.95186 
1 1 1 -16 7  29 o 384.9584 9.569729 4368.143       216.0548 4043.160       346.3593 4575.144       276.4286 368.2991 16.07395 393.2150 12.00082 -24.91592      20.05970 
1 1 1 -16 7  30 o 332.3076 8.518803 3255.002       165.8865 3462.260       252.8868 3098.460       219.7796 341.6805 12.64168 323.4956 11.60306 18.18494       17.15935 
1 1 1 -16 7  31 o 244.3970 8.711035 1762.946       124.6583 1793.841       183.5057 1736.473       169.8697 245.6203 12.78297 241.8459 12.01402 3.774414       17.54255 
1 1 1 -16 7  32 o 50.66307 19.51822 53.05898       81.89876 -38.32735      346.9655 58.45111       84.28030 82.33160 36.42405 52.00594 19.85941 30.32566       41.48623 
1 1 1 -16 7  33 o 276.4286 7.944083 2254.739       128.6550 2163.288       396.2144 2265.518       136.0257 262.9772 26.03103 276.9914 8.383096 -14.01416      27.34759 
1 1 1 -16 7  34 o 75.53585 20.64274 179.6445       94.03433 253.2045       359.4401 174.2400       97.42747 101.3321 40.33400 74.52084 21.25397 26.81121       45.59126 
1 1 1 -16 7  35 o 134.3138 13.50981 544.3171       104.9753 1000.778       399.3666 510.4383       108.8012 167.5931 40.97919 129.7323 14.55042 37.86075       43.48573 
1 1 1 -16 7  36 o 52.79423 20.50917 58.74435       90.98567 -36.30571      399.4129 63.94667       93.44243 85.03856 38.24724 54.02150 20.83885 31.01706       43.55581 
1 1 1 -16 7  37 o 58.21739 21.01822 92.99856       91.94906 87.32600       359.2189 93.39628       95.11792 86.24545 37.64124 58.67368 21.34982 27.57178       43.27444 
1 1 1 -16 7  38 o 39.38856 17.75950 -35.07314      86.72528 -19.62003      337.0071 -36.16908      89.74789 77.01369 34.83941 40.04031 18.05868 36.97338       39.24157 
1 1 1 -16 7  39 o 346.9464 7.952039 3574.884       161.8048 3377.105       422.4659 3608.884       175.1612 322.7565 22.45867 348.2338 8.576628 -25.47733      24.04059 
1 1 1 -16 7  40 o 122.2658 14.06417 462.6446       99.01381 984.3771       328.6690 410.5681       103.8378 160.0067 35.90845 114.2600 15.92803 45.74663       39.28255 
1 1 1 -16 7  41 o 109.0136 15.42985 374.8851       95.89501 429.1794       328.5524 369.8291       100.2606 101.9718 39.14292 107.8038 16.37198 -5.832039      42.42888 
1 1 1 -16 7  42 o 104.0876 24.02753 379.1269       143.7051 0.000000       0.000000 379.1269       143.7051 ?        ?        104.0876 24.02753 0.000000       24.02753 
1 1 1 -16 7  43 o 69.36321 21.19025 163.7562       94.14123 63.08586       130.0034 274.7495       136.5061 56.90507 23.64564 87.18289 25.24991 -30.27782      34.59298 
1 1 1 -16 7  44 o 64.48461 21.78162 139.6064       97.77812 272.5334       128.5669 -42.75503      150.5876 86.72310 24.30703 50.05112 22.89217 36.67197       33.38987 
1 1 1 -16 7  45 o 83.31167 20.74494 242.2071       100.9701 167.8065       136.2908 332.7195       150.3253 69.52634 25.51557 93.76410 26.28459 -24.23776      36.63228 
1 1 1 -16 7  46 o 42.19878 19.11777 -27.29925      101.9219 -171.1673      140.0886 134.5014       148.5630 40.08158 19.40268 65.43680 25.96815 -25.35521      32.41618 
1 1 1 -16 7  47 o 88.30170 22.18844 281.7286       114.7514 186.7435       168.1963 364.4391       156.9526 71.71610 27.87792 96.63437 26.77252 -24.91827      38.65160 
1 1 1 -16 7  48 o 162.0889 13.82331 835.5389       130.1534 858.7080       193.1505 816.2686       176.1511 156.0297 21.69349 154.0147 19.97154 2.015045       29.48677 
1 1 1 -16 8  1  o 817.2961 19.93024 19689.13       955.3060 19080.30       1290.518 20427.18       1420.885 802.2456 27.46928 829.5095 29.25280 -27.26392      40.12839 
1 1 1 -16 8  2  o 745.4484 18.80953 16380.99       821.6732 0.000000       0.000000 16380.99       821.6732 ?        ?        745.4484 18.80953 0.000000       18.80953 
1 1 1 -16 8  3  o 428.0869 11.42299 5386.942       286.5324 5356.178       438.7885 5409.813       378.3351 426.1508 17.59448 428.6097 15.07442 -2.458923      23.16903 
1 1 1 -16 8  4  o 714.7817 14.51305 15024.37       608.3909 13476.82       946.2068 16115.09       794.3643 674.9154 23.94279 739.6541 18.31220 -64.73865      30.14289 
1 1 1 -16 8  5  o 586.6599 12.61709 10114.43       434.1063 9738.628       700.9282 10348.27       552.9098 574.2042 20.84866 592.8092 15.91776 -18.60498      26.23055 
1 1 1 -16 8  6  o 101.7467 23.46473 318.0926       137.1602 298.3562       176.2592 348.3920       218.3907 99.22932 28.67791 107.5726 32.14946 -8.343292      43.08144 
1 1 1 -16 8  7  o 536.2941 10.70055 8448.182       336.5578 8502.026       473.1855 8393.054       478.7934 537.3497 15.02971 533.8511 15.30827 3.498596       21.45310 
1 1 1 -16 8  8  o 146.4256 15.15905 637.6471       128.2980 502.0722       162.4091 862.6909       209.2446 128.5377 22.35543 169.5817 21.52313 -41.04401      31.03241 
1 1 1 -16 8  9  o 490.0504 10.09099 7054.025       290.0182 6927.256       403.5711 7189.409       417.0564 485.0194 14.20295 494.0894 14.40797 -9.070007      20.23149 
1 1 1 -16 8  10 o 257.5167 10.01552 1951.003       150.9735 1943.654       198.3859 1961.115       232.7176 256.7179 13.22116 257.6011 15.47526 -0.8832092     20.35394 
1 1 1 -16 8  11 o 557.0255 10.55326 9117.852       344.7562 9049.409       483.6692 9188.539       491.5440 554.1508 14.89581 558.3737 15.02387 -4.222961      21.15660 
1 1 1 -16 8  12 o 384.5338 10.06103 4347.953       226.7014 4241.888       350.9833 4423.876       296.9554 379.0411 15.82362 387.5128 13.08513 -8.471649      20.53308 
1 1 1 -16 8  13 o 398.7811 21.84820 4726.213       509.0240 4726.213       509.0240 0.000000       0.000000 398.7811 21.84820 ?        ?        0.000000       21.84820 
1 1 1 -16 8  14 o 383.4599 8.823700 4319.881       198.4363 4313.977       281.9786 4325.674       279.3032 382.6245 12.58299 383.1636 12.44565 -0.5390930     17.69819 
1 1 1 -16 8  15 o 511.9391 13.38973 7726.744       401.6685 7228.269       533.4487 8379.367       610.3827 493.9407 18.44723 531.5200 19.61452 -37.57925      26.92637 
1 1 1 -16 8  16 o 463.2738 12.98543 6329.198       352.4651 0.000000       0.000000 6329.198       352.4651 ?        ?        463.2738 12.98543 0.000000       12.98543 
1 1 1 -16 8  17 o 330.1584 11.77257 3214.593       227.5876 0.000000       0.000000 3214.593       227.5876 ?        ?        330.1584 11.77257 0.000000       11.77257 
1 1 1 -16 8  18 o 281.2262 8.304494 2326.783       136.8181 2289.959       193.4259 2363.657       193.5541 278.5138 11.86900 282.9964 11.68709 -4.482605      16.65717 
1 1 1 -16 8  19 o 444.7057 9.005193 5817.029       234.8639 6010.941       343.4047 5646.612       321.9297 451.1254 12.99305 437.3311 12.56466 13.79431       18.07457 
1 1 1 -16 8  20 o 571.1660 10.43273 9609.039       349.4706 9764.680       505.7217 9466.787       483.4803 574.2113 15.03014 565.5399 14.58908 8.671387       20.94627 
1 1 1 -16 8  21 o 233.2003 8.653688 1602.167       118.1481 1604.043       168.5148 1600.353       165.6943 232.7698 12.38877 232.5359 12.19234 0.2339478      17.38202 
1 1 1 -16 8  22 o 362.5207 8.402705 3866.821       178.6497 3952.726       263.5160 3793.756       243.0241 365.6175 12.30690 358.3533 11.57865 7.264221       16.89749 
1 1 1 -16 8  23 o 278.1890 8.232456 2279.028       134.1658 2388.121       196.0047 2182.848       184.0384 284.1489 11.78729 271.6829 11.57690 12.46597       16.52165 
1 1 1 -16 8  24 f 128.3729 12.15242 491.1944       90.40349 514.8254       123.1215 463.5494       133.1684 130.6056 16.43714 123.2185 19.04106 7.387085       25.15435 
1 1 1 -16 8  25 o 193.3259 9.412914 1103.624       106.4039 1022.931       149.6204 1186.194       151.3501 185.3405 13.86528 199.8361 12.98422 -14.49554      18.99568 
1 1 1 -16 8  26 o 112.7761 14.49201 382.9875       93.63809 442.7087       128.1803 314.6459       137.1197 120.4261 18.75979 100.1986 23.70653 20.22755       30.23126 
1 1 1 -16 8  27 o 352.0844 10.65407 3659.788       219.7419 3842.858       473.4530 3609.525       248.0803 356.5761 22.75867 349.3073 12.12812 7.268890       25.78853 
1 1 1 -16 8  28 o 117.7428 14.76605 417.4879       99.72821 438.6741       142.0900 396.9183       140.0071 119.2405 21.08977 113.0917 21.90044 6.148872       30.40407 
1 1 1 -16 8  29 f 306.4483 9.196615 2769.845       165.0989 2835.622       271.4570 2731.231       207.9887 308.5852 15.04480 303.7602 11.69690 4.825043       19.05685 
1 1 1 -16 8  30 o 234.7809 8.803384 1626.709       121.0022 1648.339       176.1584 1607.386       166.4958 235.5126 12.80191 232.6922 12.24340 2.820450       17.71411 
1 1 1 -16 8  31 o 358.5987 7.770073 3787.410       163.4121 3712.420       461.5818 3798.156       174.7283 348.6783 22.69549 358.9965 8.298942 -10.31812      24.16522 
1 1 1 -16 8  32 o 119.4041 13.52128 429.4131       93.02187 617.8828       361.8324 416.0750       96.25719 134.4982 41.62622 117.3329 14.28210 17.16523       44.00818 
1 1 1 -16 8  33 o 137.3066 11.96566 563.8826       95.39451 313.5844       373.2235 581.3773       98.67204 107.2015 41.56763 139.3841 12.19330 -32.18259      43.31910 
1 1 1 -16 8  34 o 219.3395 9.070169 1424.278       116.4246 1830.776       414.9799 1389.549       121.2961 238.1176 30.40858 216.5265 9.575483 21.59106       31.88059 
1 1 1 -16 8  35 o 106.3972 15.81260 347.8017       95.67414 572.0169       400.2627 334.2150       98.53028 126.9012 44.03469 103.9857 16.72338 22.91550       47.10335 
1 1 1 -16 8  36 o 198.9565 9.287488 1176.229       108.0704 1426.659       403.3555 1156.862       112.1715 203.2519 35.10682 197.1817 9.729907 6.070221       36.43021 
1 1 1 -16 8  37 o 42.12096 18.52932 -15.23732      88.59483 44.69130       349.6991 -19.34761      91.58265 82.68642 36.57479 42.39355 18.73622 40.29287       41.09454 
1 1 1 -16 8  38 o 85.27251 18.65013 234.5704       90.66707 -84.33015      378.6890 253.9626       93.38309 77.40123 35.72943 88.85146 18.52178 -11.45023      40.24486 
1 1 1 -16 8  39 f 173.2127 10.50386 902.9677       106.2021 1080.730       359.6297 885.9844       111.1596 167.1589 37.59769 171.3041 11.12459 -4.145172      39.20896 
1 1 1 -16 8  40 o 206.2395 9.342587 1274.361       112.7094 1247.418       361.1850 1277.268       118.6335 181.1601 35.26421 206.2382 9.836520 -25.07806      36.61040 
1 1 1 -16 8  41 o 111.1747 21.72768 415.6631       136.5867 346.3471       353.0193 427.8665       148.1229 95.17092 39.20008 111.7635 23.35190 -16.59254      45.62847 
1 1 1 -16 8  42 o 147.7354 12.14436 670.2989       104.2946 1182.574       346.2963 619.1983       109.3728 171.6658 35.56671 141.2936 13.35742 30.37225       37.99226 
1 1 1 -16 8  43 o 76.23584 21.32858 200.4996       99.08571 508.8800       332.2722 170.3995       103.8089 104.2857 39.52453 70.44555 22.36811 33.84016       45.41499 
1 1 1 -16 8  44 f 108.2769 16.36177 380.1737       100.6624 364.3633       136.6551 398.9294       148.8405 101.0635 23.50172 104.9965 24.60351 -3.932945      34.02446 
1 1 1 -16 8  45 o 62.17304 22.05773 128.0696       100.8056 112.2679       135.2311 147.8308       151.2278 62.19469 24.74506 67.51724 26.38037 -5.322548      36.16962 
1 1 1 -16 8  46 o 144.1462 13.44654 655.1778       112.3634 759.2026       154.2406 537.5414       164.0216 151.5585 17.68470 121.9315 23.79137 29.62699       29.64419 
1 1 1 -16 8  47 o 108.1662 20.05565 404.7947       122.5432 479.9194       186.5802 347.8047       162.5075 109.2222 28.74301 93.35310 27.69220 15.86915       39.91263 
1 1 1 -16 8  48 o 43.53900 20.33471 -67.88789      128.2955 64.99748       189.7567 -179.7803      174.1241 61.02480 26.97006 44.77517 21.66438 16.24962       34.59378 
1 1 1 -16 9  1  o 1113.873 26.01381 36722.50       1699.379 36418.34       2366.448 37046.37       2441.899 1103.680 36.61041 1112.657 37.47450 -8.977173      52.38950 
1 1 1 -16 9  2  f 332.7386 11.07063 3255.693       215.7351 2957.679       304.6712 3555.374       305.5215 316.5698 16.46671 347.3357 15.03389 -30.76587      22.29732 
1 1 1 -16 9  3  o 722.5656 18.28394 15391.77       774.1918 0.000000       0.000000 15391.77       774.1918 ?        ?        722.5656 18.28394 0.000000       18.28394 
1 1 1 -16 9  4  o 448.6799 14.57148 5927.483       382.9257 0.000000       0.000000 5927.483       382.9257 ?        ?        448.6799 14.57148 0.000000       14.57148 
1 1 1 -16 9  5  o 227.5031 12.01137 1525.177       159.6941 1521.257       214.4677 1530.056       239.2409 226.7522 16.23466 227.1652 18.10715 -0.4129791     24.31939 
1 1 1 -16 9  6  o 508.7246 11.56870 7604.608       345.1578 7263.690       541.9609 7837.241       447.6914 496.0320 18.66306 515.8992 14.81198 -19.86719      23.82656 
1 1 1 -16 9  7  o 145.4108 15.79419 629.7519       132.5319 615.2855       169.5159 652.4982       212.5622 142.8891 20.84180 146.3145 25.70903 -3.425385      33.09584 
1 1 1 -16 9  8  o 296.0577 9.534787 2576.854       165.3374 2537.830       219.4834 2628.052       251.3973 293.5034 12.78146 298.5010 14.40283 -4.997589      19.25635 
1 1 1 -16 9  9  o 480.3947 9.943796 6779.369       280.1567 6751.541       392.7109 6808.208       399.7866 478.7879 14.00058 480.7654 14.19450 -1.977570      19.93741 
1 1 1 -16 9  10 f 618.9310 11.40937 11261.22       414.1468 11154.10       580.5380 11372.23       590.9857 615.0140 16.10902 620.9739 16.24150 -5.959900      22.87546 
1 1 1 -16 9  11 o 222.6676 10.29854 1460.142       134.1237 1557.881       180.3859 1339.300       200.5755 229.6795 13.45038 212.5347 16.21392 17.14482       21.06666 
1 1 1 -16 9  12 o 706.5388 17.12183 14732.55       709.4744 15461.28       1032.435 14080.52       976.5892 721.0137 24.45105 688.1136 24.23706 32.90015       34.42802 
1 1 1 -16 9  13 o 225.4130 12.97742 1500.792       170.8356 1045.192       352.6039 1640.543       195.2869 183.5922 33.99964 235.5462 14.20263 -51.95403      36.84684 
1 1 1 -16 9  14 o 430.6057 9.155608 5448.998       231.2158 5610.465       336.2721 5304.207       318.4337 436.2431 13.15856 424.2175 12.81381 12.02567       18.36686 
1 1 1 -16 9  15 o 424.5154 11.90229 5309.757       296.0368 5063.162       395.2196 5624.968       446.8341 413.6632 16.32279 435.7514 17.52037 -22.08817      23.94571 
1 1 1 -16 9  16 o 399.1165 11.48260 4693.939       268.4966 4483.558       357.4284 4966.401       406.7601 389.2377 15.68970 409.3795 16.97874 -20.14182      23.11805 
1 1 1 -16 9  17 o 698.3167 17.09707 14441.03       700.2039 0.000000       0.000000 14441.03       700.2039 ?        ?        698.3167 17.09707 0.000000       17.09707 
1 1 1 -16 9  18 o 250.0867 8.545016 1841.062       125.1456 1964.715       176.1909 1715.161       177.7851 257.9386 11.67735 240.8169 12.63220 17.12164       17.20271 
1 1 1 -16 9  19 o 332.7177 8.242574 3254.906       160.8382 3340.742       229.1785 3171.597       225.7788 336.4316 11.63270 327.7694 11.76438 8.662231       16.54450 
1 1 1 -16 9  20 o 272.3332 8.419662 2183.435       134.3147 2239.877       194.3972 2131.878       185.7942 275.2653 12.07106 268.5784 11.82432 6.686859       16.89749 
1 1 1 -16 9  21 o 229.5532 8.634001 1552.703       116.0303 1575.953       166.7776 1530.892       161.5312 230.6860 12.37251 227.3936 12.15651 3.292419       17.34531 
1 1 1 -16 9  22 o 250.5789 8.277050 1849.428       121.4715 1830.763       176.7218 1866.145       167.2430 248.6738 12.15422 251.2171 11.38093 -2.543289      16.65085 
1 1 1 -16 9  23 o 109.7473 13.87297 362.1585       87.30063 321.1932       117.5144 412.6111       130.4143 101.8623 20.38312 115.9113 19.90104 -14.04892      28.48724 
1 1 1 -16 9  24 o 65.08065 20.13886 126.7121       84.69602 167.2251       111.9646 72.51949       129.4953 74.53796 23.16974 62.18708 24.37795 12.35087       33.63215 
1 1 1 -16 9  25 o 167.2442 10.68359 828.3875       104.2418 819.5334       145.5410 837.7141       149.3741 165.5186 15.16122 167.3083 15.39576 -1.789734      21.60768 
1 1 1 -16 9  26 o 499.6216 13.41016 7393.240       392.5842 7061.410       525.1885 7813.472       591.0192 486.1184 18.45491 510.6861 19.77052 -24.56769      27.04547 
1 1 1 -16 9  27 o 572.2474 11.97087 9674.879       401.7539 9185.613       657.2998 9966.675       507.6100 553.3867 20.28710 579.4169 14.95035 -26.03027      25.20078 
1 1 1 -16 9  28 o 515.0576 11.09298 7832.103       335.0847 7473.081       553.1705 8040.199       421.1443 499.5675 18.91470 520.7145 13.80269 -21.14700      23.41538 
1 1 1 -16 9  29 o 207.2440 9.221025 1268.434       111.7952 1205.447       160.1886 1328.243       156.0953 201.1662 13.65869 211.4355 12.64592 -10.26929      18.61395 
1 1 1 -16 9  30 o 298.4329 11.58598 2638.868       202.3971 0.000000       0.000000 2638.868       202.3971 ?        ?        298.4329 11.58598 0.000000       11.58598 
1 1 1 -16 9  31 o 242.5824 8.852175 1738.134       125.7277 0.000000       0.000000 1738.134       125.7277 ?        ?        242.5824 8.852175 0.000000       8.852175 
1 1 1 -16 9  32 o 201.9051 8.908737 1205.606       105.2309 1686.551       406.0331 1170.976       108.9536 229.2596 30.99131 198.8894 9.367021 30.37013       32.37596 
1 1 1 -16 9  33 o 115.3139 14.05802 402.3863       93.11013 -443.3912      408.8601 448.6488       95.62271 71.79335 34.33667 121.9634 13.59956 -50.17004      36.93176 
1 1 1 -16 9  34 o 271.0566 8.503573 2172.119       135.0126 2002.352       456.1900 2188.417       141.3447 247.3935 32.20550 271.9747 8.873240 -24.58113      33.40552 
1 1 1 -16 9  35 o 83.91000 19.67868 223.6929       95.15414 118.7708       413.4846 229.5602       97.77847 94.83855 40.89071 84.95226 19.96519 9.886284       45.50450 
1 1 1 -16 9  36 o 276.7668 8.212821 2269.056       133.1607 2383.616       438.7005 2257.431       139.7543 269.7516 28.14373 275.9054 8.647506 -6.153748      29.44230 
1 1 1 -16 9  37 o 337.3198 7.980767 3371.927       157.8836 3625.782       477.0993 3340.708       167.3103 334.7337 24.47203 335.4093 8.512323 -0.6755676     25.91023 
1 1 1 -16 9  38 o 68.32715 20.87604 150.5981       91.36682 400.8336       359.0316 133.2705       94.47723 104.3393 40.68190 65.13337 21.39626 39.20593       45.96539 
1 1 1 -16 9  39 o 75.93417 21.15227 191.1824       97.68150 0.000000       0.000000 191.1824       97.68150 ?        ?        75.93417 21.15227 0.000000       21.15227 
1 1 1 -16 9  40 o 136.4008 12.96439 571.4214       102.4643 1153.699       370.0249 523.0642       106.6341 169.9701 38.06791 129.8550 14.23495 40.11508       40.64233 
1 1 1 -16 9  41 o 48.98281 20.00707 42.81320       90.98223 -159.4770      340.0362 58.41228       94.42502 67.49594 32.00608 51.76097 20.64975 15.73497       38.08939 
1 1 1 -16 9  42 o 141.8402 12.95070 622.4394       106.5444 750.4547       359.5972 610.1199       111.5533 125.6126 41.76251 139.9507 13.76929 -14.33804      43.97387 
1 1 1 -16 9  43 o 105.7285 17.33714 364.9266       103.7802 181.5853       347.5550 382.8740       108.7411 81.37319 36.20216 108.0767 17.77307 -26.70355      40.32962 
1 1 1 -16 9  44 o 48.06407 21.87728 -34.70082      135.4067 12.32315       352.7225 -42.82862      146.6426 72.34502 33.76486 49.28707 22.56064 23.05795       40.60847 
1 1 1 -16 9  45 o 52.84406 21.65298 61.23917       106.9901 58.58075       149.5372 64.02727       153.1410 57.77286 24.74494 58.68547 25.08632 -0.9126167     35.23685 
1 1 1 -16 9  46 o 53.12980 21.96685 61.42668       111.4211 123.9421       167.0996 11.37986       149.5099 65.20631 26.92492 53.19876 23.70115 12.00755       35.87054 
1 1 1 -16 9  47 o 141.9092 15.55969 652.5254       127.3767 551.4927       195.4740 727.0861       167.9242 117.6508 28.60981 145.3736 20.24440 -27.72282      35.04793 
1 1 1 -16 10 1  o 697.7392 17.71856 14352.46       724.4703 15638.56       1044.431 13159.81       1005.774 726.5927 24.54494 666.1005 25.79477 60.49219       35.60652 
1 1 1 -16 10 2  o 1186.790 27.69329 41780.82       1927.520 0.000000       0.000000 41780.82       1927.520 ?        ?        1186.790 27.69329 0.000000       27.69329 
1 1 1 -16 10 3  o 595.3833 16.17472 10444.07       564.2626 0.000000       0.000000 10444.07       564.2626 ?        ?        595.3833 16.17472 0.000000       16.17472 
1 1 1 -16 10 4  o 866.3640 21.04239 22163.01       1069.168 0.000000       0.000000 22163.01       1069.168 ?        ?        866.3640 21.04239 0.000000       21.04239 
1 1 1 -16 10 5  o 530.3213 11.82544 8265.714       367.7957 8396.686       603.2365 8188.219       464.0200 533.1586 19.32412 527.2531 15.02138 5.905579       24.47577 
1 1 1 -16 10 6  o 599.4381 12.75380 10565.61       448.3677 10588.54       739.7145 10552.29       563.7287 598.3072 21.11401 598.3671 16.07851 -0.5987549E-01 26.53902 
1 1 1 -16 10 7  o 115.9911 18.18376 406.2004       119.6344 553.2572       149.0184 139.5790       200.6526 135.5882 19.28289 80.86761 30.69928 54.72063       36.25294 
1 1 1 -16 10 8  o 274.0132 10.29841 2209.137       165.2032 2172.297       228.5526 2249.445       239.0671 271.2766 14.41736 276.0139 14.82294 -4.737213      20.67800 
1 1 1 -16 10 9  o 247.4511 9.980862 1801.948       144.5493 1744.281       187.4098 1886.633       227.1104 243.1266 13.19287 252.6037 15.40339 -9.477097      20.28094 
1 1 1 -16 10 10 o 414.2231 9.472617 5040.723       230.1202 5025.702       321.9156 5056.421       329.0810 413.0222 13.30716 414.2463 13.56374 -1.224091      19.00146 
1 1 1 -16 10 11 o 269.1184 10.95254 2132.875       172.5045 2144.243       222.6543 2115.805       272.8419 269.4540 14.13899 267.1511 17.51073 2.302979       22.50637 
1 1 1 -16 10 12 o 534.1103 10.36588 8386.511       324.7041 8385.109       465.6640 8387.837       452.9997 533.1418 14.90754 533.3151 14.49661 -0.1732788     20.79391 
1 1 1 -16 10 13 o 646.5961 11.58989 12301.92       439.5040 12538.17       635.6273 12085.50       608.3732 651.3840 16.65218 639.6324 16.23080 11.75159       23.25369 
1 1 1 -16 10 14 o 310.9511 8.580482 2843.284       156.3288 2843.026       220.2372 2843.546       221.9371 310.5064 12.11725 310.5215 12.21055 -0.1510620E-01 17.20248 
1 1 1 -16 10 15 o 776.2759 18.77145 17858.95       854.6031 0.000000       0.000000 17858.95       854.6031 ?        ?        776.2759 18.77145 0.000000       18.77145 
1 1 1 -16 10 16 o 360.0494 9.238672 3814.605       194.9231 3621.539       304.1720 3949.140       253.9114 349.8470 14.85870 365.9431 11.84652 -16.09616      19.00318 
1 1 1 -16 10 17 o 454.0711 10.28228 6068.914       273.8190 5532.156       429.8860 6435.354       355.1944 431.7896 17.00909 466.8778 12.98477 -35.08820      21.39891 
1 1 1 -16 10 18 o 192.0958 10.08711 1089.268       113.2428 1157.034       163.7285 1027.120       156.7953 197.3679 14.24056 185.8526 14.49981 11.51529       20.32334 
1 1 1 -16 10 19 o 556.8790 10.27873 9133.518       335.6995 9481.644       491.7255 8829.630       459.4207 565.8726 14.82955 546.2239 14.35376 19.64862       20.63846 
1 1 1 -16 10 20 o 289.3127 8.250376 2463.900       139.8453 2393.992       196.8232 2535.171       198.7330 284.6000 11.81780 292.9286 11.59087 -8.328522      16.55321 
1 1 1 -16 10 21 o 34.99922 16.23857 -68.39058      79.71166 -67.62438      102.6491 -69.55447      126.5141 41.33976 18.90499 46.89787 21.26775 -5.558109      28.45550 
1 1 1 -16 10 22 o 137.7688 10.90390 563.3196       87.38351 544.0649       120.5717 584.6227       126.8230 134.5353 15.56820 139.4763 15.78103 -4.940994      22.16776 
1 1 1 -16 10 23 o 343.6366 8.346851 3475.240       168.2180 3481.200       247.0048 3470.086       229.7264 342.9943 12.29905 342.6520 11.44767 0.3422852      16.80226 
1 1 1 -16 10 24 o 155.1517 10.95890 713.7815       99.07650 668.8265       136.8304 763.3285       143.6488 149.2370 15.87690 159.6114 15.54236 -10.37447      22.21803 
1 1 1 -16 10 25 o 117.3325 14.91191 414.6663       100.2981 530.1254       133.7757 266.4461       151.5712 132.2724 17.68770 92.47431 26.55336 39.79812       31.90511 
1 1 1 -16 10 26 o 198.4773 10.11968 1164.254       117.4065 1133.046       166.8450 1194.865       165.2425 194.9449 14.70155 200.3384 14.15508 -5.393448      20.40837 
1 1 1 -16 10 27 o 217.2296 9.631690 1393.306       122.4027 1356.385       176.7827 1427.305       169.6449 213.4660 14.20160 219.2045 13.25794 -5.738480      19.42829 
1 1 1 -16 10 28 o 203.5669 9.961020 1224.922       118.5607 1069.415       183.8185 1335.699       155.1450 188.7488 16.78032 212.1157 12.52716 -23.36685      20.94061 
1 1 1 -16 10 29 o 518.0757 13.78042 7970.250       418.3312 0.000000       0.000000 7970.250       418.3312 ?        ?        518.0757 13.78042 0.000000       13.78042 
1 1 1 -16 10 30 o 161.3773 10.30789 772.3991       97.04797 961.3970       397.4912 760.4189       100.0766 168.6045 40.67134 160.0412 10.72418 8.563339       42.06146 
1 1 1 -16 10 31 o 95.51559 17.84005 282.4687       96.26164 1238.523       399.6903 223.5988       99.18107 193.2083 36.61317 84.33549 20.29856 108.8728       41.86354 
1 1 1 -16 10 32 f 202.7730 8.960143 1216.345       106.2923 1734.062       422.1243 1181.297       109.8313 231.6539 31.91809 199.7360 9.402428 31.91795       33.27416 
1 1 1 -16 10 33 o 264.6538 8.287833 2068.964       128.4796 1823.955       435.3262 2092.342       134.4694 236.7587 32.18401 266.0650 8.628988 -29.30629      33.32071 
1 1 1 -16 10 34 o 274.1108 8.323884 2221.285       133.6593 2630.019       492.7841 2188.828       138.8648 285.3036 29.89427 271.9926 8.716573 13.31100       31.13914 
1 1 1 -16 10 35 o 78.00455 20.98029 194.3518       98.05814 -168.7640      395.5505 218.1286       101.2177 78.89512 36.45353 82.54867 20.89240 -3.653549      42.01609 
1 1 1 -16 10 36 o 130.5983 12.45320 515.8629       94.22916 375.6836       422.4073 523.2040       96.66503 108.1177 43.48984 131.4541 12.69629 -23.33640      45.30521 
1 1 1 -16 10 37 o 169.6771 10.54537 863.7853       104.4200 952.0764       414.7402 857.8099       107.8956 152.4044 43.97385 168.9387 10.94888 -16.53429      45.31642 
1 1 1 -16 10 38 o 227.3633 11.59450 1559.883       154.0943 0.000000       0.000000 1559.883       154.0943 ?        ?        227.3633 11.59450 0.000000       11.59450 
1 1 1 -16 10 39 o 91.46667 18.54311 271.3554       96.06190 918.9216       385.6872 228.5273       99.18767 146.6475 42.43375 83.04504 20.49264 63.60244       47.12294 
1 1 1 -16 10 40 o 161.9333 10.98966 794.6527       103.7505 1036.928       349.1865 771.1934       108.6574 160.4839 37.73829 159.1619 11.72270 1.322006       39.51708 
1 1 1 -16 10 41 o 60.24599 21.20067 112.8346       92.97296 367.4011       347.0600 93.15363       96.50001 95.41038 39.03550 57.24769 21.38497 38.16269       44.50941 
1 1 1 -16 10 42 o 127.4087 14.13146 508.7230       103.8196 0.000000       0.000000 508.7230       103.8196 ?        ?        127.4087 14.13146 0.000000       14.13146 
1 1 1 -16 10 43 o 107.1493 17.03310 374.1041       103.4584 635.2002       374.1929 352.4930       107.6549 110.8807 41.96207 103.0627 18.49009 7.817955       45.85519 
1 1 1 -16 10 44 o 69.44018 22.39212 168.6710       103.7299 46.25143       345.0616 180.8328       108.7605 72.96893 33.83134 71.52029 22.91595 1.448639       40.86196 
1 1 1 -16 10 45 o 42.50882 19.11138 -19.70868      99.61515 85.70456       134.0848 -149.5611      148.8185 58.83857 24.18902 42.79205 20.53243 16.04651       31.72837 
1 1 1 -16 10 46 o 175.9061 11.76077 959.7063       120.6327 1019.702       184.0952 914.5602       159.6956 174.9500 18.20840 167.4251 16.47707 7.524902       24.55687 
1 1 1 -16 10 47 o 52.63677 22.46632 46.63429       122.4870 -58.71089      189.7246 121.9237       160.3922 53.25021 24.82317 64.14117 26.42139 -10.89097      36.25299 
1 1 1 -16 11 1  o 883.2689 17.27301 22990.77       894.7704 23529.21       1543.566 22718.27       1098.085 888.8233 29.65294 876.8778 21.35239 11.94550       36.54068 
1 1 1 -16 11 2  o 475.1931 14.00628 6648.987       389.9144 6040.906       471.3320 7967.410       694.0223 452.3384 17.80171 518.4976 22.87952 -66.15912      28.98919 
1 1 1 -16 11 3  o 1589.599 37.02502 75817.65       3451.704 0.000000       0.000000 75817.65       3451.704 ?        ?        1589.599 37.02502 0.000000       37.02502 
1 1 1 -16 11 4  o 393.2508 23.79988 4595.514       546.3327 0.000000       0.000000 4595.514       546.3327 ?        ?        393.2508 23.79988 0.000000       23.79988 
1 1 1 -16 11 5  o 259.2494 12.82483 1981.436       194.3881 1981.086       220.7446 1982.644       410.2253 259.0234 14.59015 256.8523 27.66850 2.171143       31.27968 
1 1 1 -16 11 6  o 498.5911 11.41528 7307.251       333.7965 7344.667       533.7712 7283.222       427.7575 498.6008 18.28470 497.1656 14.68664 1.435242       23.45267 
1 1 1 -16 11 7  o 675.9290 13.84823 13446.81       548.9665 14208.41       953.4413 13069.12       671.4291 692.0298 23.52613 665.4839 17.21778 26.54584       29.15357 
1 1 1 -16 11 8  o 539.2115 11.88098 8550.075       375.7180 8398.900       601.6984 8646.692       481.0228 532.8514 19.28587 541.5595 15.15990 -8.708069      24.53095 
1 1 1 -16 11 9  o 453.7841 10.74117 6053.120       285.8587 5896.358       445.9215 6162.483       372.4555 446.7235 17.05168 457.2800 13.90421 -10.55652      22.00198 
1 1 1 -16 11 10 o 272.9588 10.84044 2193.997       173.1929 2311.331       230.0787 2040.577       263.0909 279.7818 14.06702 262.3752 17.19221 17.40659       22.21380 
1 1 1 -16 11 11 o 469.9247 9.750624 6490.245       268.7270 6528.338       381.1034 6452.575       378.9801 470.5642 13.82434 467.8227 13.82807 2.741516       19.55321 
1 1 1 -16 11 12 o 241.7979 11.12174 1723.496       157.2936 1667.026       178.2006 1922.683       334.6817 237.5859 12.83671 253.4029 22.76236 -15.81705      26.13247 
1 1 1 -16 11 13 o 714.2066 14.20096 15041.55       594.8288 16157.81       1067.695 14539.16       716.2855 735.6624 24.78212 701.1942 17.41796 34.46814       30.29090 
1 1 1 -16 11 14 o 489.1631 9.709039 7036.489       278.5355 7041.768       399.7708 7031.509       388.2970 488.4129 13.97076 488.1466 13.57642 0.2662964      19.48079 
1 1 1 -16 11 15 o 429.0061 10.87483 5421.190       273.3923 6646.964       585.5056 5079.424       309.1651 472.2018 21.19637 414.9099 12.72036 57.29193       24.72031 
1 1 1 -16 11 16 o 162.3859 10.27302 779.1930       97.33416 781.1663       122.1495 775.7604       161.1001 162.2298 12.94571 160.8961 17.34640 1.333633       21.64461 
1 1 1 -16 11 17 o 527.6267 11.25495 8202.635       348.2739 7990.022       574.5189 8326.157       437.9087 518.1516 18.93774 530.6862 14.08249 -12.53455      23.59988 
1 1 1 -16 11 18 o 369.3058 8.552805 4011.258       185.2445 4134.887       268.2559 3898.565       256.1161 374.1774 12.24070 363.3590 12.03511 10.81839       17.16620 
1 1 1 -16 11 19 o 332.9185 8.398978 3262.113       163.8581 3428.886       242.2526 3121.465       222.4700 340.6506 12.14519 325.0941 11.68743 15.55643       16.85532 
1 1 1 -16 11 20 o 178.7056 9.728136 943.3843       101.5728 945.9531       141.2944 940.6372       146.1184 178.3279 13.61288 177.7248 14.13502 0.6030273      19.62420 
1 1 1 -16 11 21 o 41.93459 17.98090 -3.219079      79.11848 13.90906       103.7054 -27.07133      122.3801 50.01294 20.97502 49.71998 21.82803 0.2929573      30.27234 
1 1 1 -16 11 22 o 245.6343 8.516351 1778.002       122.4998 1775.022       176.3508 1780.780       170.2901 244.7740 12.32427 245.2611 11.87415 -0.4870911     17.11382 
1 1 1 -16 11 23 o 50.70602 19.77274 48.18321       84.82178 98.45721       110.5448 -23.79251      132.2695 62.94967 22.99923 52.10717 22.78926 10.84250       32.37769 
1 1 1 -16 11 24 o 349.4878 8.762852 3598.220       179.4673 3367.477       256.3043 3820.177       251.3776 337.1556 12.98637 359.4103 11.94233 -22.25476      17.64270 
1 1 1 -16 11 25 f 295.7629 8.829540 2577.733       152.9839 2753.451       227.6633 2433.060       206.5747 304.8860 12.76045 286.6678 12.31578 18.21820       17.73436 
1 1 1 -16 11 26 o 317.3596 8.799973 2967.630       163.6304 3221.790       246.9541 2768.717       218.4715 329.8146 12.79146 305.8486 12.20424 23.96594       17.67950 
1 1 1 -16 11 27 o 441.5396 8.181877 5737.899       211.8718 6579.684       634.7618 5632.357       224.7618 466.2696 23.28626 437.3422 8.762954 28.92737       24.88050 
1 1 1 -16 11 28 o 477.8361 8.659395 6725.500       242.6705 8036.060       687.6218 6539.051       259.3586 515.0641 22.82009 470.9810 9.389592 44.08304       24.67632 
1 1 1 -16 11 29 o 220.7539 9.077809 1439.118       117.2769 0.000000       0.000000 1439.118       117.2769 ?        ?        220.7539 9.077809 0.000000       9.077809 
1 1 1 -16 11 30 o 298.5794 7.875959 2628.058       137.7953 3891.959       499.8281 2524.098       143.3504 356.0127 24.08062 292.5110 8.364740 63.50174       25.49206 
1 1 1 -16 11 31 o 115.9969 14.62644 407.4297       97.29517 1070.712       412.0334 368.2615       100.1267 176.6828 40.61491 109.8432 16.01362 66.83957       43.65784 
1 1 1 -16 11 32 o 164.4998 10.37545 804.1578       99.58750 1045.808       401.4326 788.3105       102.8011 174.0412 40.14676 162.7677 10.83070 11.27347       41.58204 
1 1 1 -16 11 33 f 104.1465 16.85836 334.3621       99.45325 220.4586       428.4815 340.8479       102.2455 103.5032 42.96128 105.0790 17.18465 -1.575760      46.27076 
1 1 1 -16 11 34 o 333.9804 8.105694 3294.574       158.7675 3424.576       529.8617 3281.750       166.4138 327.1116 27.88513 333.0964 8.525623 -5.984772      29.15933 
1 1 1 -16 11 35 o 173.0179 10.81092 894.4408       109.1512 825.3330       447.0294 898.8221       112.5581 145.3144 46.44855 173.3466 11.13042 -28.03220      47.76352 
1 1 1 -16 11 36 o 302.3312 8.087797 2709.684       143.2760 1943.354       471.2470 2787.737       150.3956 234.3253 35.39309 306.5385 8.373492 -72.21321      36.37013 
1 1 1 -16 11 37 o 279.5348 8.423949 2323.254       137.9451 2317.028       472.0809 2323.835       144.2405 257.0659 32.00389 279.3884 8.813976 -22.32248      33.19540 
1 1 1 -16 11 38 o 45.34992 19.18069 16.16247       87.89588 -455.2221      395.8619 40.60699       90.14608 65.38090 31.86984 49.10294 19.96786 16.27796       37.60854 
1 1 1 -16 11 39 o 128.1833 13.44539 506.0441       99.57521 1003.338       395.2267 472.3383       102.8944 152.8942 42.53156 123.3220 14.50355 29.57221       44.93647 
1 1 1 -16 11 40 o 205.3266 9.786008 1268.630       117.5032 959.0306       360.9725 1305.324       124.2715 149.7695 40.24128 208.0440 10.21636 -58.27446      41.51788 
1 1 1 -16 11 41 o 170.2720 10.65007 879.9636       105.8196 1658.483       345.7414 799.4969       111.1538 214.7885 28.12144 161.6454 11.80635 53.14311       30.49927 
1 1 1 -16 11 42 o 93.69191 18.61333 291.4106       98.67081 325.6782       347.5220 288.4060       102.9058 90.61417 38.22263 92.66305 19.55141 -2.048874      42.93282 
1 1 1 -16 11 43 o 40.88044 18.51779 -30.81643      95.58274 -28.95472      336.7232 -30.97959      99.68317 70.01133 32.77814 41.74999 18.91133 28.26134       37.84237 
1 1 1 -16 11 44 o 36.96459 17.50757 -92.18562      101.1658 280.0099       359.4762 -124.1991      105.4268 84.65907 37.28013 35.82878 17.21486 48.83030       41.06287 
1 1 1 -16 11 45 o 160.6993 19.05367 865.7825       176.0834 552.7915       397.2378 942.3201       196.4365 99.05644 41.26102 166.0007 20.62041 -66.94429      46.12671 
1 1 1 -16 11 46 o 134.1321 14.41406 575.3303       111.6115 742.2379       166.9577 440.4733       150.0739 147.4501 19.80737 109.4585 24.03723 37.99155       31.14675 
1 1 1 -16 11 47 o 137.2290 15.33221 610.5285       121.2899 669.0869       184.0616 565.5843       161.2522 135.0015 24.13326 125.2922 22.78381 9.709297       33.18909 
1 1 1 -16 12 1  o 492.6613 24.02065 7209.369       691.9468 0.000000       0.000000 7209.369       691.9468 ?        ?        492.6613 24.02065 0.000000       24.02065 
1 1 1 -16 12 2  f 1573.428 36.54253 74391.20       3372.066 0.000000       0.000000 74391.20       3372.066 ?        ?        1573.428 36.54253 0.000000       36.54253 
1 1 1 -16 12 3  o 703.4058 17.91943 14605.47       738.6300 0.000000       0.000000 14605.47       738.6300 ?        ?        703.4058 17.91943 0.000000       17.91943 
1 1 1 -16 12 4  o 999.3032 34.26512 29972.55       2005.197 0.000000       0.000000 29972.55       2005.197 ?        ?        999.3032 34.26512 0.000000       34.26512 
1 1 1 -16 12 5  o 354.1536 10.39138 3688.878       215.5984 3481.400       302.5117 3903.046       307.3501 343.4730 15.05411 363.8051 14.43368 -20.33206      20.85563 
1 1 1 -16 12 6  o 416.2711 10.55239 5095.987       257.4113 5132.349       399.4532 5070.165       336.6257 416.9120 16.36876 414.7809 13.85760 2.131042       21.44690 
1 1 1 -16 12 7  o 656.6669 13.50271 12693.34       520.0157 12517.97       857.2806 12795.43       654.0940 649.5209 22.53918 658.3624 16.95454 -8.841553      28.20409 
1 1 1 -16 12 8  o 281.9620 10.98373 2341.029       181.2840 2332.786       231.5825 2354.074       291.3283 281.0881 14.09290 281.8177 17.71605 -0.7295532     22.63776 
1 1 1 -16 12 9  o 183.1460 12.26300 991.3846       130.9588 995.0873       159.7198 983.7888       228.7626 183.1333 15.00241 180.8666 22.01958 2.266754       26.64459 
1 1 1 -16 12 10 o 607.6620 12.57365 10869.88       448.0991 10448.68       729.7914 11124.78       567.7182 593.3656 21.00446 613.8650 15.78228 -20.49939      26.27294 
1 1 1 -16 12 11 o 181.0532 10.59744 967.3389       112.0353 997.0223       143.8080 921.5041       178.6998 183.4715 13.45848 175.7071 17.57711 7.764481       22.13787 
1 1 1 -16 12 12 o 372.7410 14.98814 4106.339       326.9783 3915.471       498.2848 4250.685       433.3246 361.8546 23.60864 378.2035 19.60298 -16.34885      30.68623 
1 1 1 -16 12 13 o 510.2890 11.14340 7664.421       333.4911 8182.606       573.2490 7399.329       410.0150 525.1748 18.64139 500.6590 13.97759 24.51581       23.29967 
1 1 1 -16 12 14 o 357.6700 8.668170 3760.525       181.8279 3680.203       254.8013 3843.869       259.5513 353.1780 12.32035 360.9625 12.27844 -7.784424      17.39400 
1 1 1 -16 12 15 o 550.3790 15.28894 8962.373       493.0248 8979.342       719.8461 8947.380       676.6426 548.1011 22.44129 547.7222 21.10386 0.3789673      30.80559 
1 1 1 -16 12 16 o 845.0545 20.28175 21264.17       1005.173 0.000000       0.000000 21264.17       1005.173 ?        ?        845.0545 20.28175 0.000000       20.28175 
1 1 1 -16 12 17 o 243.0986 9.198871 1741.285       130.9131 1630.308       186.8867 1848.205       183.4396 234.5283 13.64623 249.9555 12.55372 -15.42722      18.54226 
1 1 1 -16 12 18 o 187.7811 9.857837 1041.120       108.1833 1078.895       152.2724 1002.621       153.7266 190.5686 13.71621 183.5502 14.39562 7.018463       19.88387 
1 1 1 -16 12 19 o 122.9432 12.33329 450.7144       87.72733 496.9139       116.8695 391.0814       132.7779 128.4989 15.84292 112.6618 20.86366 15.83714       26.19715 
1 1 1 -16 12 20 o 203.8645 9.021816 1225.917       107.5992 1248.878       151.2320 1202.380       153.1221 205.1965 12.62793 201.2489 13.04367 3.947601       18.15494 
1 1 1 -16 12 21 o 442.5366 9.180323 5767.265       238.2636 5806.130       350.9752 5734.043       324.4921 442.7216 13.53335 440.2643 12.58015 2.457367       18.47733 
1 1 1 -16 12 22 o 246.5147 8.670532 1791.123       125.1591 1821.488       178.4827 1761.746       175.5569 247.9607 12.31185 243.8497 12.31554 4.110947       17.41419 
1 1 1 -16 12 23 o 306.6231 8.538001 2769.546       153.3870 2759.204       221.4069 2779.090       212.6991 305.2841 12.39196 306.5074 11.85479 -1.223328      17.14925 
1 1 1 -16 12 24 o 196.9124 9.960046 1145.730       114.6495 1125.165       160.3767 1167.224       163.9604 194.3768 14.16570 197.9841 14.21539 -3.607315      20.06849 
1 1 1 -16 12 25 o 222.5344 9.613404 1461.785       125.1697 1612.913       180.7662 1322.575       173.4913 233.0998 13.27775 210.8325 14.11230 22.26730       19.37668 
1 1 1 -16 12 26 o 146.1340 11.87276 634.9892       100.8787 838.0289       471.3041 625.2405       103.2721 157.7974 47.24508 144.9333 12.26470 12.86411       48.81107 
1 1 1 -16 12 27 o 473.5241 8.688029 6603.470       241.2759 6439.625       633.4500 6631.274       260.9461 460.8589 23.51428 474.3514 9.379939 -13.49252      25.31610 
1 1 1 -16 12 28 f 238.3745 10.29124 1680.383       143.5337 0.000000       0.000000 1680.383       143.5337 ?        ?        238.3745 10.29124 0.000000       10.29124 
1 1 1 -16 12 29 o 189.8185 10.34322 1067.464       114.7099 0.000000       0.000000 1067.464       114.7099 ?        ?        189.8185 10.34322 0.000000       10.34322 
1 1 1 -16 12 30 o 270.1008 8.347523 2152.971       132.0725 0.000000       0.000000 2152.971       132.0725 ?        ?        270.1008 8.347523 0.000000       8.347523 
1 1 1 -16 12 31 o 121.8195 14.08447 448.0566       98.77425 0.000000       0.000000 448.0566       98.77425 ?        ?        121.8195 14.08447 0.000000       14.08447 
1 1 1 -16 12 32 o 256.5435 8.341463 1944.242       125.3361 1891.301       454.5288 1948.598       130.3914 240.6366 33.08149 256.7550 8.671680 -16.11839      34.19917 
1 1 1 -16 12 33 o 160.4234 11.50994 768.6315       107.5710 903.8766       472.2363 761.2298       110.4754 155.4781 47.45231 159.5478 11.89212 -4.069641      48.91977 
1 1 1 -16 12 34 o 124.1449 13.75898 467.1642       98.49658 462.0016       451.5251 467.4222       100.9272 118.3259 45.76428 124.0733 14.12109 -5.747437      47.89337 
1 1 1 -16 12 35 o 250.4308 8.702564 1860.844       127.6219 0.000000       0.000000 1860.844       127.6219 ?        ?        250.4308 8.702564 0.000000       8.702564 
1 1 1 -16 12 36 o 67.52168 20.80077 145.0026       90.47486 109.4920       407.4486 146.8444       92.79142 89.80375 39.61191 67.95827 21.08770 21.84547       44.87532 
1 1 1 -16 12 37 f 115.6767 14.04813 412.4335       93.35359 776.0205       412.6686 392.8234       95.83806 134.2466 44.74108 112.5267 14.88705 21.71992       47.15282 
1 1 1 -16 12 38 o 60.30523 21.03568 109.5815       91.40278 332.5616       413.1152 98.10420       93.72562 98.96752 41.70615 58.52370 21.20775 40.44382       46.78858 
1 1 1 -16 12 39 o 134.3145 12.90261 553.9345       100.3881 262.4254       388.5353 574.7872       103.9167 92.40309 39.73708 136.7370 13.11908 -44.33386      41.84669 
1 1 1 -16 12 40 o 113.2059 15.41290 405.0367       99.67509 965.6654       352.0608 356.1828       103.9273 150.4028 39.43616 104.9885 17.49389 45.41431       43.14217 
1 1 1 -16 12 41 o 123.3190 15.09253 480.2006       106.8823 0.000000       0.000000 480.2006       106.8823 ?        ?        123.3190 15.09253 0.000000       15.09253 
1 1 1 -16 12 42 o 65.02805 21.16280 141.7527       92.52734 495.5532       342.0573 113.8207       96.11040 102.4034 39.77013 60.16175 21.51715 42.24170       45.21782 
1 1 1 -16 12 43 o 192.8860 10.13819 1131.171       114.2836 1852.210       392.7190 1064.461       119.4534 217.2495 31.76134 186.5349 10.96752 30.71460       33.60162 
1 1 1 -16 12 44 o 93.49414 21.05345 305.1278       112.6541 346.6599       369.1373 300.8624       118.2976 88.22312 38.33531 92.02306 22.18116 -3.799942      44.28995 
1 1 1 -16 12 45 o 131.5199 15.21547 556.9276       115.1999 625.1315       416.8406 551.2875       119.8684 101.8381 42.33071 130.2258 16.03292 -28.38771      45.26525 
1 1 1 -16 12 46 o 39.78769 18.63343 -71.96486      108.9502 -61.62881      155.0010 -82.05853      153.1730 48.50128 22.55122 46.94641 22.02050 1.554874       31.51919 
1 1 1 -16 13 1  o 304.5251 11.79852 2731.112       210.3190 2740.550       261.6687 2713.888       353.5055 304.6925 14.68657 302.3373 20.05000 2.355164       24.85353 
1 1 1 -16 13 2  o 657.5034 16.26632 12745.65       627.2458 12413.15       854.0408 13135.06       924.2301 646.8881 22.54568 665.0452 23.73424 -18.15710      32.73564 
1 1 1 -16 13 3  o 840.7065 19.92475 20896.29       982.3987 20613.62       1365.367 21199.71       1414.582 831.2289 28.04793 842.6558 28.66555 -11.42682      40.10487 
1 1 1 -16 13 4  o 688.8459 23.64806 14094.84       953.9456 14094.84       953.9456 0.000000       0.000000 688.8459 23.64806 ?        ?        0.000000       23.64806 
1 1 1 -16 13 5  o 501.6524 18.40541 7443.415       540.5826 7443.415       540.5826 0.000000       0.000000 501.6524 18.40541 ?        ?        0.000000       18.40541 
1 1 1 -16 13 6  o 464.3002 12.78984 6349.336       347.9370 6464.751       478.5630 6219.918       506.7614 467.6184 17.48084 458.3512 18.89237 9.267212       25.73910 
1 1 1 -16 13 7  o 346.0440 10.24966 3523.038       207.7842 3841.315       312.7794 3271.625       277.9900 360.7180 14.81648 332.9330 14.27021 27.78510       20.57103 
1 1 1 -16 13 8  o 195.0358 10.80139 1122.001       123.0680 1220.444       164.0278 995.2090       186.1530 203.0710 13.85571 182.7151 17.58888 20.35585       22.39083 
1 1 1 -16 13 9  o 154.0511 12.05604 702.7145       108.0561 646.4025       137.1149 795.0046       175.5340 147.1147 16.15760 162.8862 18.71456 -15.77150      24.72454 
1 1 1 -16 13 10 o 343.3172 9.446988 3467.270       190.0319 3289.100       282.1689 3615.155       257.0722 333.6584 14.45399 350.1507 12.53867 -16.49225      19.13468 
1 1 1 -16 13 11 o 428.5096 10.29283 5400.911       258.6699 5386.368       407.1080 5410.757       334.9795 426.6497 16.29998 428.2499 13.35369 -1.600220      21.07156 
1 1 1 -16 13 12 o 239.6995 10.28369 1693.390       144.2299 1760.896       187.5945 1595.799       225.5556 244.0528 13.15510 231.7001 16.71107 12.35268       21.26773 
1 1 1 -16 13 13 o 365.4249 10.96103 3934.789       234.6438 4156.788       326.0232 3696.220       337.9721 374.8513 14.85937 353.1063 16.36468 21.74500       22.10438 
1 1 1 -16 13 14 o 193.7410 9.161075 1106.392       103.7974 1109.658       136.8324 1101.965       159.2993 193.6559 12.10839 192.6576 14.19839 0.9983368      18.66031 
1 1 1 -16 13 15 o 517.9200 15.17023 7940.482       460.2959 8212.644       700.0892 7733.249       610.9012 523.6317 22.85198 509.1378 20.50096 14.49393       30.70020 
1 1 1 -16 13 16 o 406.4686 11.51880 4874.292       274.3132 4418.084       355.2081 5548.393       431.7813 385.9446 15.72599 432.1520 17.06994 -46.20737      23.20969 
1 1 1 -16 13 17 o 310.7739 10.37319 2848.153       188.7985 2689.949       247.9199 3066.560       291.2974 301.2915 14.06938 321.3861 15.50034 -20.09454      20.93342 
1 1 1 -16 13 18 o 367.2283 8.527771 3967.611       183.6632 4116.858       270.0038 3839.083       250.5624 373.1955 12.35327 360.4829 11.86788 12.71255       17.13038 
1 1 1 -16 13 19 o 299.0145 8.261306 2632.451       144.7355 2684.531       209.7642 2585.125       199.9612 301.3123 11.89373 295.7423 11.55095 5.569946       16.57967 
1 1 1 -16 13 20 o 348.0771 8.518379 3565.716       173.8934 3419.572       250.4894 3701.667       241.5963 339.9150 12.58691 353.9047 11.65592 -13.98962      17.15490 
1 1 1 -16 13 21 o 224.0723 8.922159 1480.665       117.0145 1326.731       162.8297 1645.058       168.2714 211.3571 13.20202 235.6382 12.21799 -24.28110      17.98813 
1 1 1 -16 13 22 o 299.0744 8.363197 2634.479       146.5465 2687.948       211.8813 2585.445       202.9060 301.3961 12.01089 295.6472 11.72554 5.748962       16.78540 
1 1 1 -16 13 23 o 34.65242 16.33597 -94.50547      86.18633 -94.15480      110.3193 -95.05474      138.0693 41.07488 19.07328 47.44612 21.78234 -6.371239      28.95273 
1 1 1 -16 13 24 f 55.54971 25.67838 -148.0578      196.5963 -774.2947      419.1661 28.55007       222.5983 65.25625 32.01614 72.17490 30.52501 -6.918648      44.23584 
1 1 1 -16 13 25 o 166.3860 10.89533 820.3094       105.7333 826.5679       450.9348 819.9453       108.7655 157.0654 46.00842 166.2974 11.21770 -9.231964      47.35622 
1 1 1 -16 13 26 o 78.90391 20.21377 193.7039       93.94910 49.42209       403.4860 201.9747       96.60435 94.84172 40.63494 80.53635 20.42582 14.30537       45.47980 
1 1 1 -16 13 27 o 197.0090 12.41569 1153.147       142.7228 1848.228       423.6277 1064.150       151.5847 242.7984 30.41562 188.9342 13.77489 53.86415       33.38948 
1 1 1 -16 13 28 o 209.5598 9.012137 1296.991       110.5019 2141.641       440.1271 1240.167       114.1585 261.6866 29.17336 204.8223 9.529555 56.86435       30.69034 
1 1 1 -16 13 29 o 415.1468 8.187361 5079.066       199.3408 7057.397       647.4162 4871.870       209.5196 480.7043 23.03140 406.4370 8.789839 74.26727       24.65171 
1 1 1 -16 13 30 o 109.6012 14.50869 364.1657       90.97127 896.3415       459.4509 342.4510       92.80869 158.5672 46.43877 106.0153 15.37503 52.55191       48.91779 
1 1 1 -16 13 31 o 94.62185 17.43745 277.4503       93.20208 1030.840       459.7758 245.1652       95.17812 169.5318 45.35612 88.47053 18.91674 81.06132       49.14286 
1 1 1 -16 13 32 o 90.26079 18.63877 255.2009       95.39661 1064.060       467.8874 220.1180       97.44348 170.8674 45.77275 83.43680 20.14385 87.43062       50.00920 
1 1 1 -16 13 33 o 152.4080 11.78533 695.3340       104.5238 600.9805       486.6269 699.8976       107.0218 130.0382 48.12790 152.8436 12.03624 -22.80540      49.61014 
1 1 1 -16 13 34 o 144.4557 15.51608 636.9939       129.3939 77.68293       483.9227 680.0610       134.2832 96.86327 42.92640 149.2891 15.56546 -52.42587      45.66136 
1 1 1 -16 13 35 o 71.95251 20.26276 166.1689       89.12205 317.7149       430.6582 159.3884       91.09397 104.1686 43.13887 70.60221 20.67814 33.56642       47.83877 
1 1 1 -16 13 36 o 93.04107 17.83172 275.8761       93.76089 474.8985       401.6766 264.4071       96.42461 111.4477 43.14791 90.69527 18.74798 20.75242       47.04497 
1 1 1 -16 13 37 f 171.6408 10.15039 884.6517       101.7209 463.8106       413.9477 911.6974       104.9386 108.5301 43.25627 174.1855 10.31866 -65.65535      44.46998 
1 1 1 -16 13 38 o 121.0195 13.93727 452.7693       97.11555 -160.4930      408.9818 489.4149       99.97504 75.17451 35.48376 125.9542 13.75751 -50.77969      38.05741 
1 1 1 -16 13 39 o 129.0188 14.12173 516.9156       105.1107 473.4532       382.1919 520.4720       109.3265 105.2218 41.68481 129.1770 14.69150 -23.95520      44.19801 
1 1 1 -16 13 40 o 105.3252 16.63606 356.2068       99.35422 132.0780       364.4437 374.2016       103.2657 81.70867 36.65948 107.8701 16.87590 -26.16142      40.35733 
1 1 1 -16 13 41 o 89.80573 19.06673 269.1820       97.31474 478.1138       346.9200 251.3378       101.3853 102.0506 39.93168 86.00491 20.40885 16.04567       44.84485 
1 1 1 -16 13 42 o 110.0467 16.00340 389.8887       100.2610 1365.113       370.9154 313.0163       104.1376 180.6384 36.27296 96.65150 19.04927 83.98687       40.97075 
1 1 1 -16 13 43 o 85.71640 20.93313 256.0276       104.3085 128.8399       372.7152 266.8358       108.6501 77.97655 35.79499 87.25468 21.39810 -9.278122      41.70324 
1 1 1 -16 13 44 o 112.6688 17.83006 421.4553       113.9000 449.3078       374.9811 418.6243       119.5483 93.91461 39.66402 111.4603 18.96701 -17.54564      43.96569 
1 1 1 -16 13 45 o 128.8088 16.30201 542.2900       120.3970 -88.00959      396.9019 606.1655       126.3505 69.01453 33.22176 136.4200 16.10233 -67.40550      36.91843 
1 1 1 -16 13 46 o 89.15426 23.18268 292.7357       122.3317 340.5288       173.5918 245.5854       172.4205 91.01746 28.92818 78.51857 28.71787 12.49889       40.76218 
1 1 1 -16 14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 14 2  o 945.1891 22.65118 26502.62       1255.625 0.000000       0.000000 26502.62       1255.625 ?        ?        945.1891 22.65118 0.000000       22.65118 
1 1 1 -16 14 3  o 481.5712 14.76838 6840.928       416.6104 0.000000       0.000000 6840.928       416.6104 ?        ?        481.5712 14.76838 0.000000       14.76838 
1 1 1 -16 14 4  o 656.1946 16.63988 12716.48       639.8572 12328.09       846.3360 13234.66       977.5760 644.2282 22.43447 666.4766 25.05469 -22.24835      33.63098 
1 1 1 -16 14 5  o 176.4075 11.43058 919.2142       117.6227 860.9645       147.2502 1021.908       195.5156 170.2559 14.89690 185.0640 18.25125 -14.80815      23.55898 
1 1 1 -16 14 6  o 567.3484 12.24072 9474.031       407.2934 10169.76       697.2473 9113.666       501.8095 585.5610 20.33404 555.6405 15.41396 29.92053       25.51594 
1 1 1 -16 14 7  o 237.8280 9.902375 1665.679       137.8166 1697.693       185.9452 1626.657       205.2921 239.7050 13.27877 234.3716 15.01437 5.333435       20.04387 
1 1 1 -16 14 8  o 250.8579 9.639764 1852.685       141.5584 1890.755       194.9678 1810.241       205.8640 252.9933 13.18575 247.3790 14.24980 5.614273       19.41444 
1 1 1 -16 14 9  o 319.3842 9.588587 3001.707       179.4017 3054.645       261.9315 2954.929       246.2212 321.5723 13.92159 316.3717 13.29986 5.200531       19.25349 
1 1 1 -16 14 10 o 177.8873 10.11375 933.7437       105.0788 829.2288       136.4982 1085.783       164.6322 167.0873 14.05973 191.2383 14.79371 -24.15100      20.40907 
1 1 1 -16 14 11 o 42.69997 18.57600 -14.68260      86.88683 33.83296       90.24800 -629.8530      321.3622 49.87572 20.08812 56.99857 27.97865 -7.122841      34.44325 
1 1 1 -16 14 12 o 312.2770 9.342144 2870.552       170.9025 3034.507       257.4941 2741.460       228.4835 320.3776 13.73614 304.6497 12.81666 15.72794       18.78692 
1 1 1 -16 14 13 o 350.7100 8.872579 3619.235       182.3474 3596.931       255.6717 3642.325       260.1428 349.0331 12.51032 351.2044 12.65061 -2.171295      17.79174 
1 1 1 -16 14 14 o 306.4241 8.707450 2763.504       156.3233 2499.431       211.8320 3079.281       231.6431 290.8366 12.44795 322.9053 12.25413 -32.06873      17.46754 
1 1 1 -16 14 15 o 520.2016 13.36406 7997.341       407.3810 7665.477       553.9913 8388.097       601.1403 507.4233 18.64753 530.5269 19.35291 -23.10358      26.87500 
1 1 1 -16 14 16 o 554.7928 14.04535 9106.976       456.6301 8981.106       633.4491 9243.139       658.8442 548.5727 19.72124 556.2756 20.22861 -7.702881      28.25109 
1 1 1 -16 14 17 o 377.7635 11.03615 4211.339       244.2430 4381.651       342.0826 4034.231       348.8401 384.2473 15.20997 368.3830 16.18593 15.86438       22.21098 
1 1 1 -16 14 18 o 207.7904 9.178809 1273.677       111.5808 1240.066       159.8891 1305.587       155.7888 204.3326 13.41652 209.8153 12.72019 -5.482758      18.48801 
1 1 1 -16 14 19 o 227.2672 8.622825 1522.349       114.7224 1511.129       158.8262 1534.590       165.8882 225.8822 12.03260 227.5495 12.47827 -1.667252      17.33467 
1 1 1 -16 14 20 o 96.14753 15.54174 281.1524       84.64880 241.3055       109.6997 339.7974       133.0834 87.96783 21.45770 104.4124 22.40407 -16.44453      31.02217 
1 1 1 -16 14 21 f 220.9074 8.940911 1439.283       115.5964 1252.396       161.6742 1634.749       165.3435 205.2582 13.50546 234.9238 12.04095 -29.66557      18.09370 
1 1 1 -16 14 22 o 46.45341 18.79957 28.36804       79.46205 50.47690       103.0078 -4.124348      124.8757 54.61928 21.63989 52.49933 22.55164 2.119953       31.25478 
1 1 1 -16 14 23 o 118.0236 13.71542 417.7994       93.16930 537.9108       442.5142 412.2280       95.30566 132.2495 46.27448 117.1376 14.16009 15.11187       48.39251 
1 1 1 -16 14 24 o 190.2567 11.53053 1072.615       128.0550 0.000000       0.000000 1072.615       128.0550 ?        ?        190.2567 11.53053 0.000000       11.53053 
1 1 1 -16 14 25 o 174.0691 13.21478 901.9006       133.8983 663.5616       441.1525 926.0853       140.5276 142.4273 46.19913 176.3042 13.69832 -33.87689      48.18717 
1 1 1 -16 14 26 o 268.2121 8.144134 2119.547       127.9589 1713.871       449.4248 2155.333       133.4835 232.1331 34.02130 270.4238 8.426798 -38.29074      35.04939 
1 1 1 -16 14 27 o 364.6227 7.941015 3914.245       169.8127 5752.171       577.7661 3740.464       177.6596 435.2768 22.71124 356.3327 8.501243 78.94409       24.25019 
1 1 1 -16 14 28 o 260.6391 10.79440 2011.745       164.6447 2831.594       464.0963 1893.705       176.0989 302.4118 26.43272 252.5902 11.92111 49.82161       28.99658 
1 1 1 -16 14 29 o 220.2818 11.62380 1441.902       149.6364 0.000000       0.000000 1441.902       149.6364 ?        ?        220.2818 11.62380 0.000000       11.62380 
1 1 1 -16 14 30 o 189.4396 10.09205 1064.427       111.7200 0.000000       0.000000 1064.427       111.7200 ?        ?        189.4396 10.09205 0.000000       10.09205 
1 1 1 -16 14 31 o 208.9219 9.326337 1292.643       113.9855 2884.231       509.2768 1208.708       116.9524 300.9832 29.21819 201.8826 9.908058 99.10063       30.85243 
1 1 1 -16 14 32 o 130.2738 13.54517 512.0878       101.9793 1217.858       515.4440 483.3359       104.0358 180.2999 47.92712 126.3226 14.29355 53.97730       50.01314 
1 1 1 -16 14 33 o 49.97712 20.58888 29.95067       97.40779 102.4719       511.5820 27.22257       99.22301 100.8354 44.43571 49.99188 20.70509 50.84356       49.02278 
1 1 1 -16 14 34 o 239.2146 8.754221 1698.085       122.6091 1825.465       500.3840 1689.948       126.4642 225.0445 39.34439 238.5413 9.056140 -13.49678      40.37319 
1 1 1 -16 14 35 o 182.7876 10.06201 999.0076       107.4492 1005.396       460.3150 998.6394       110.5019 154.7904 46.76908 182.6491 10.35823 -27.85870      47.90240 
1 1 1 -16 14 36 o 50.40843 20.05765 50.11752       88.85874 295.0645       420.9178 38.69197       90.90753 99.01229 41.92994 49.13258 20.02505 49.87971       46.46636 
1 1 1 -16 14 37 o 152.3247 11.39594 702.4984       101.0676 502.0336       422.7641 714.6498       104.0856 110.2397 43.78733 153.5370 11.64604 -43.29732      45.30960 
1 1 1 -16 14 38 o 65.51619 20.97358 138.8207       91.11958 -113.9337      387.8129 153.5893       93.74389 74.74516 35.05296 68.41930 21.18984 6.325859       40.95997 
1 1 1 -16 14 39 o 86.32375 19.55024 247.7232       96.67052 533.8597       370.2549 226.7906       100.1441 108.8456 41.61012 82.00377 20.79596 26.84180       46.51746 
1 1 1 -16 14 40 o 58.71545 21.04299 105.1072       91.97106 33.98780       360.1571 110.0684       95.12492 76.39517 35.11234 59.82342 21.40535 16.57175       41.12256 
1 1 1 -16 14 41 o 121.6620 15.23135 469.8937       106.3036 1220.761       388.9084 409.2636       110.5121 165.1518 40.47355 112.2004 17.35399 52.95138       44.03714 
1 1 1 -16 14 42 o 177.3196 10.93426 961.4275       113.1564 1511.947       385.3910 909.4900       118.3739 190.1561 35.87237 171.8589 11.81639 18.29721       37.76843 
1 1 1 -16 14 43 o 158.5807 12.27440 780.4481       113.2686 1326.037       393.8331 731.2491       118.2654 167.8419 40.48148 152.7223 13.33767 15.11955       42.62210 
1 1 1 -16 14 44 f 42.35820 19.49817 -48.02187      111.6524 115.2664       378.2343 -63.60895      116.8600 76.19978 35.36065 42.16985 19.59839 34.02993       40.42861 
1 1 1 -16 14 45 o 52.39412 22.75614 33.27810       129.9486 152.7536       376.5247 17.12281       138.4559 76.64422 35.46719 52.06213 23.02201 24.58208       42.28397 
1 1 1 -16 14 46 o 84.41180 25.35348 274.7688       135.5650 -191.5729      412.9683 331.0916       143.5182 66.08824 32.28786 92.62543 25.57776 -26.53719      41.19136 
1 1 1 -16 15 1  o 363.0082 11.39598 3880.650       242.3150 3780.364       310.7872 4036.133       386.9758 357.7502 14.84490 369.0721 17.93179 -11.32193      23.27918 
1 1 1 -16 15 2  o 1056.564 35.62485 33829.45       2204.336 0.000000       0.000000 33829.45       2204.336 ?        ?        1056.564 35.62485 0.000000       35.62485 
1 1 1 -16 15 3  o 494.9126 14.58538 7228.174       422.8855 0.000000       0.000000 7228.174       422.8855 ?        ?        494.9126 14.58538 0.000000       14.58538 
1 1 1 -16 15 4  o 172.7896 10.98906 881.7964       110.7828 759.8280       135.6300 1126.281       192.0249 159.8649 14.62808 194.5171 17.00330 -34.65222      22.42973 
1 1 1 -16 15 5  o 159.8741 11.71764 756.2787       109.1043 765.6293       133.5139 737.4838       189.2894 160.5114 14.33374 156.2694 21.20013 4.241989       25.59105 
1 1 1 -16 15 6  o 218.5724 9.713633 1407.346       124.2057 1426.240       163.2005 1381.338       191.4746 219.6815 12.72153 215.8182 15.22541 3.863281       19.84062 
1 1 1 -16 15 7  o 261.9802 9.471605 2020.433       145.2872 1973.809       199.7474 2072.808       211.7079 258.4581 13.22166 264.8076 13.67825 -6.349426      19.02385 
1 1 1 -16 15 8  o 566.5104 12.05280 9452.207       400.4480 9643.753       667.7404 9344.627       500.4222 569.7052 20.01623 562.3572 15.18699 7.348022       25.12556 
1 1 1 -16 15 9  o 187.9605 10.09280 1042.286       110.8494 928.4811       139.6889 1235.823       182.1646 176.9168 13.56652 203.9694 15.34061 -27.05263      20.47889 
1 1 1 -16 15 10 o 183.0338 10.14238 988.7361       108.4477 984.4595       139.0460 995.3778       173.2798 182.2463 13.09648 182.7217 16.34225 -0.4753723     20.94247 
1 1 1 -16 15 11 o 97.99629 38.96563 175.7059       335.1262 0.000000       0.000000 175.7059       335.1262 ?        ?        97.99629 38.96563 0.000000       38.96563 
1 1 1 -16 15 12 o 107.9297 13.62486 349.2543       84.32487 357.7774       101.9311 330.7733       150.0976 108.7231 16.50364 103.0181 25.08170 5.705048       30.02436 
1 1 1 -16 15 13 o 483.5949 10.91889 6889.352       309.6783 6930.655       499.3957 6863.546       394.7370 482.9469 17.66147 481.7840 13.98508 1.162842       22.52798 
1 1 1 -16 15 14 o 540.8668 10.38699 8615.969       329.4811 8165.370       458.0977 9098.870       474.2344 525.1191 14.88979 554.4501 14.59681 -29.33099      20.85120 
1 1 1 -16 15 15 o 479.4982 12.56162 6792.266       352.9466 6451.286       474.6049 7214.167       527.9257 465.7142 17.40713 492.1445 18.32266 -26.43030      25.27307 
1 1 1 -16 15 16 o 601.2925 14.92411 10710.05       526.2897 10536.86       729.9818 10897.51       759.4656 593.1307 21.01833 602.9083 21.51310 -9.777649      30.07629 
1 1 1 -16 15 17 o 248.9837 10.11840 1829.773       147.4442 1792.887       191.4811 1883.501       231.0966 245.8684 13.32906 251.4702 15.74862 -5.601746      20.63208 
1 1 1 -16 15 18 f 263.3884 9.979202 2047.238       153.8710 2084.938       205.8736 1999.524       231.6050 265.1646 13.28064 259.1894 15.30445 5.975281       20.26331 
1 1 1 -16 15 19 o 181.2596 9.521436 970.5450       100.8622 1054.497       136.7036 870.2416       149.4250 188.4858 12.43610 170.6346 15.08686 17.85118       19.55173 
1 1 1 -16 15 20 o 146.7938 10.84867 639.1422       92.73739 615.2238       121.6954 672.2692       143.2185 143.3214 14.68558 149.4650 16.61906 -6.143570      22.17791 
1 1 1 -16 15 21 o 35.99260 16.52939 -57.18801      79.59401 -578.9601      418.0833 -37.56575      81.07684 70.40500 33.94287 38.40979 17.25728 31.99520       38.07798 
1 1 1 -16 15 22 o 236.9734 8.605665 1655.153       119.4023 1126.881       467.9159 1691.948       123.4906 183.8053 43.99354 239.5680 8.804282 -55.76270      44.86588 
1 1 1 -16 15 23 o 216.4495 9.135559 1382.169       115.7083 1946.356       519.2818 1352.694       118.6924 246.9300 36.99504 214.0755 9.477266 32.85449       38.18968 
1 1 1 -16 15 24 o 40.16738 18.47641 -72.88853      100.0053 300.0056       483.2577 -89.57184      102.2179 116.9506 46.69592 39.37169 18.30867 77.57893       50.15691 
1 1 1 -16 15 25 o 186.4238 10.09392 1027.950       109.9484 322.5250       500.3298 1063.744       112.7034 119.0545 47.52104 189.6386 10.17071 -70.58410      48.59725 
1 1 1 -16 15 26 o 428.0218 8.506595 5396.290       213.5365 4823.179       603.5876 5478.282       228.3009 396.5294 26.09972 431.1395 9.028995 -34.61011      27.61736 
1 1 1 -16 15 27 o 384.5485 10.73133 4373.419       241.7856 4624.374       533.4012 4308.520       271.2538 389.3005 23.47148 381.2279 12.14774 8.072662       26.42873 
1 1 1 -16 15 28 o 123.2529 14.69322 458.8325       104.1209 1502.204       422.7935 391.4682       107.4296 214.6817 34.76826 113.2193 16.67813 101.4624       38.56154 
1 1 1 -16 15 29 o 260.0968 10.36716 2004.487       157.8245 0.000000       0.000000 2004.487       157.8245 ?        ?        260.0968 10.36716 0.000000       10.36716 
1 1 1 -16 15 30 o 173.6830 11.15337 897.9106       113.0088 0.000000       0.000000 897.9106       113.0088 ?        ?        173.6830 11.15337 0.000000       11.15337 
1 1 1 -16 15 31 o 49.02028 21.83616 -38.83644      126.8557 0.000000       0.000000 -38.83644      126.8557 ?        ?        49.02028 21.83616 0.000000       21.83616 
1 1 1 -16 15 32 o 104.2597 17.09423 336.6222       100.9049 628.1857       496.5110 324.0614       103.0555 131.9662 48.65471 102.0132 17.87645 29.95296       51.83482 
1 1 1 -16 15 33 o 81.89818 19.89263 214.2933       94.58607 183.1387       455.9803 215.6942       96.68917 100.2120 43.07101 82.10284 20.21673 18.10920       47.57970 
1 1 1 -16 15 34 f 67.68923 21.68617 143.1980       97.40239 -568.4424      434.6289 180.8286       99.94447 68.15575 33.26009 74.86726 21.58208 -6.711502      39.64871 
1 1 1 -16 15 35 o 335.3740 8.173908 3337.643       160.7717 3525.249       517.7488 3317.623       169.1325 324.8407 27.43299 334.0282 8.640886 -9.187469      28.76167 
1 1 1 -16 15 36 o 49.12075 19.88301 41.97392       88.90508 53.38012       442.9617 41.49516       90.75174 87.12748 39.62317 49.39607 20.05411 37.73141       44.40903 
1 1 1 -16 15 37 o 47.74257 19.63496 34.10787       88.39383 -179.4887      424.8947 43.77039       90.37106 75.81180 35.89882 49.47203 20.03863 26.33977       41.11292 
1 1 1 -16 15 38 o 50.09016 20.19780 48.52521       91.35109 -27.88705      372.2050 53.42308       94.23333 76.43633 35.33300 51.27257 20.56985 25.16375       40.88446 
1 1 1 -16 15 39 o 82.36195 20.50843 229.1863       98.68109 574.9677       353.7711 200.0118       102.7598 111.7031 41.08939 76.51675 21.82936 35.18638       46.52805 
1 1 1 -16 15 40 o 199.2921 9.671383 1198.708       112.7017 1485.184       390.2834 1172.646       117.7166 191.4095 36.09013 196.7746 10.23561 -5.365097      37.51353 
1 1 1 -16 15 41 o 57.37858 21.84143 94.13979       101.7363 567.1912       388.7349 59.35677       105.4103 105.3178 41.93726 52.92911 21.56672 52.38874       47.15778 
1 1 1 -16 15 42 o 113.5374 17.33418 422.7335       111.7703 0.000000       0.000000 422.7335       111.7703 ?        ?        113.5374 17.33418 0.000000       17.33418 
1 1 1 -16 15 43 o 56.21334 22.36234 83.86077       110.4279 894.8334       378.0646 8.219290       115.4630 128.6891 42.82248 48.18930 21.17760 80.49982       47.77295 
1 1 1 -16 15 44 o 36.56155 17.71722 -153.7091      117.5903 -340.1551      368.1182 -132.5224      124.0917 60.27381 29.65748 39.02591 18.73162 21.24790       35.07762 
1 1 1 -16 15 45 o 121.3356 20.37979 509.6624       139.8873 135.7261       445.9302 550.4763       147.3237 77.79021 36.81819 125.9139 20.66662 -48.12369      42.22189 
1 1 1 -16 16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 16 2  o 690.1048 23.66431 14205.92       956.3488 14205.92       956.3488 0.000000       0.000000 690.1048 23.66431 ?        ?        0.000000       23.66431 
1 1 1 -16 16 3  o 306.7904 14.04795 2781.516       252.0875 0.000000       0.000000 2781.516       252.0875 ?        ?        306.7904 14.04795 0.000000       14.04795 
1 1 1 -16 16 4  o 467.7732 10.84658 6438.738       297.5629 5810.796       439.8224 6968.769       404.0808 442.9529 16.96182 485.8417 14.19675 -42.88873      22.11902 
1 1 1 -16 16 5  o 295.6920 9.599258 2573.734       166.2462 2494.178       229.0964 2662.225       241.6184 290.5377 13.48189 300.1388 13.76306 -9.601044      19.26612 
1 1 1 -16 16 6  o 502.0881 11.28402 7421.732       332.2723 7806.867       550.0241 7200.410       416.9537 512.9769 18.31178 493.7213 14.41520 19.25562       23.30493 
1 1 1 -16 16 7  o 256.0083 9.554866 1930.215       143.2077 2027.019       195.6717 1818.549       210.1557 261.9209 12.77673 247.7708 14.52613 14.15012       19.34562 
1 1 1 -16 16 8  o 423.8978 10.20529 5287.596       253.7095 5325.202       398.8343 5262.035       328.8166 424.0159 16.06742 422.1538 13.29764 1.862061       20.85640 
1 1 1 -16 16 9  o 102.9504 13.94600 318.4851       82.03986 384.1739       98.23904 167.0929       149.1386 113.0157 15.20716 77.93182 26.88730 35.08389       30.88987 
1 1 1 -16 16 10 o 478.8361 10.83257 6752.225       304.2068 6375.931       469.9014 7023.715       399.1359 463.4579 17.31851 487.4832 13.97523 -24.02536      22.25394 
1 1 1 -16 16 11 o 104.5301 13.82104 328.2038       82.65497 337.7207       99.33380 306.7836       149.0256 105.5339 16.59657 99.21036 25.48071 6.323532       30.40909 
1 1 1 -16 16 12 o 321.5348 9.390086 3044.799       176.8815 3085.932       259.1972 3008.947       241.9854 322.9137 13.71778 319.0104 12.96102 3.903320       18.87234 
1 1 1 -16 16 13 o 259.9395 9.267303 1990.930       141.0525 2158.591       204.0758 1837.570       195.1782 270.0786 12.92148 249.0482 13.41228 21.03047       18.62401 
1 1 1 -16 16 14 o 400.2562 11.19881 4727.249       262.6234 4681.917       361.0215 4778.200       382.7406 397.1928 15.52811 401.0176 16.30788 -3.824799      22.51820 
1 1 1 -16 16 15 o 204.7858 9.435735 1237.419       113.0205 1261.813       141.2944 1194.083       188.3232 206.4557 11.71748 199.9507 16.19802 6.505051       19.99188 
1 1 1 -16 16 16 o 468.4377 12.33242 6486.294       338.5110 6406.653       467.6776 6573.934       490.5983 463.8004 17.22344 469.5584 17.84749 -5.757935      24.80282 
1 1 1 -16 16 17 o 221.5512 8.735966 1447.042       113.2879 1374.970       153.6516 1532.891       167.6943 215.4027 12.21289 227.3944 12.62397 -11.99174      17.56471 
1 1 1 -16 16 18 f 358.8983 8.640139 3791.593       181.8623 3968.676       266.6067 3637.488       248.7092 366.2321 12.43065 350.6809 12.11104 15.55127       17.35507 
1 1 1 -16 16 19 o 80.86172 24.63736 199.2638       127.3727 353.3547       402.9014 182.1533       134.2584 115.6268 43.59008 78.50166 25.48825 37.12517       50.49501 
1 1 1 -16 16 20 o 198.8355 8.957495 1166.474       104.1872 0.000000       0.000000 1166.474       104.1872 ?        ?        198.8355 8.957495 0.000000       8.957495 
1 1 1 -16 16 21 o 177.4055 10.26030 930.9434       106.2969 399.9492       470.2971 959.5298       109.1207 123.0925 46.93505 180.1003 10.37490 -57.00777      48.06806 
1 1 1 -16 16 22 o 260.8767 8.206508 2004.559       125.4018 2516.427       573.1780 1978.826       128.5153 282.2148 35.40785 259.1581 8.466864 23.05670       36.40609 
1 1 1 -16 16 23 o 284.0050 8.353644 2376.001       138.9889 2640.975       541.0052 2357.276       143.8160 290.7065 32.27521 282.8315 8.680471 7.874969       33.42214 
1 1 1 -16 16 24 o 281.9030 8.070910 2340.719       133.2986 1954.438       498.0045 2370.530       138.3466 247.7587 35.26789 283.6538 8.325293 -35.89505      36.23720 
1 1 1 -16 16 25 o 270.9347 8.499536 2164.088       134.8878 1732.897       484.0235 2200.396       140.4520 231.5543 36.87783 273.1517 8.778856 -41.59738      37.90835 
1 1 1 -16 16 26 o 144.9806 12.19093 626.6360       102.6974 683.9312       443.5699 623.3909       105.5657 142.5327 46.33248 144.5256 12.57975 -1.992905      48.00988 
1 1 1 -16 16 27 o 383.2798 10.89635 4348.899       244.6846 4344.144       546.1058 4350.094       273.6943 375.6689 24.92783 382.8727 12.20439 -7.203735      27.75507 
1 1 1 -16 16 28 o 300.6972 11.73350 2684.764       206.5253 0.000000       0.000000 2684.764       206.5253 ?        ?        300.6972 11.73350 0.000000       11.73350 
1 1 1 -16 16 29 o 196.4196 11.77501 1148.911       135.0201 0.000000       0.000000 1148.911       135.0201 ?        ?        196.4196 11.77501 0.000000       11.77501 
1 1 1 -16 16 30 o 255.8867 8.905349 1936.535       133.4402 0.000000       0.000000 1936.535       133.4402 ?        ?        255.8867 8.905349 0.000000       8.905349 
1 1 1 -16 16 31 o 201.5721 10.05409 1206.917       118.4815 990.4420       458.1286 1222.433       122.6543 163.3818 45.91644 202.7904 10.34720 -39.40862      47.06787 
1 1 1 -16 16 32 f 36.65881 17.14432 -83.84089      91.70012 -619.0857      431.5762 -58.53389      93.84293 67.95425 33.15768 39.37533 18.03267 28.57893       37.74399 
1 1 1 -16 16 33 o 113.6215 14.58666 395.7095       94.96063 926.9287       464.3843 372.5272       97.01054 151.4120 47.20581 109.8960 15.48012 41.51607       49.67919 
1 1 1 -16 16 34 o 142.8239 12.25645 617.3533       101.6718 524.2065       460.1187 622.1349       104.2487 116.5703 45.87508 143.2795 12.53215 -26.70919      47.55605 
1 1 1 -16 16 35 o 123.2140 14.17146 467.4802       100.5434 418.8516       443.0920 470.1200       103.2363 107.0102 43.98010 123.4128 14.54221 -16.40267      46.32198 
1 1 1 -16 16 36 o 131.3255 12.79355 527.4946       97.28732 508.3957       428.1373 528.5345       99.90071 110.6380 44.02590 131.3054 13.14959 -20.66742      45.94770 
1 1 1 -16 16 37 o 39.16626 17.69366 -33.76026      86.57101 -632.8706      393.5435 -3.294810      88.74484 60.01589 29.73836 42.97590 18.73369 17.03999       35.14714 
1 1 1 -16 16 38 o 52.15610 20.44807 63.80116       91.11857 -1.862949      373.5910 67.95438       93.95598 76.91163 35.49796 53.20026 20.79144 23.71137       41.13866 
1 1 1 -16 16 39 o 54.08233 21.02071 74.03899       95.62037 192.0713       371.6547 65.67206       98.95145 84.78934 37.59502 53.31245 21.18141 31.47689       43.15134 
1 1 1 -16 16 40 o 79.00330 21.16499 214.8931       100.0341 -501.4029      379.9926 268.2303       103.6916 59.70139 29.51746 88.83659 20.34149 -29.13520      35.84769 
1 1 1 -16 16 41 o 55.37293 22.02186 77.18147       107.0618 148.8473       387.2757 71.25130       111.4033 80.44411 36.76225 55.11800 22.27632 25.32610       42.98485 
1 1 1 -16 16 42 o 174.3336 11.61898 936.8894       118.1174 1189.208       399.3351 912.6978       123.6501 153.6737 42.75340 171.5011 12.37680 -17.82739      44.50886 
1 1 1 -16 16 43 o 130.0673 15.88702 547.5200       118.6762 1191.656       441.8208 497.4319       123.2039 143.1052 46.21906 122.6206 17.63899 20.48460       49.47055 
1 1 1 -16 16 44 f 86.77840 24.07512 280.8166       126.8227 317.6525       389.7654 276.4549       134.1212 84.53471 37.92078 85.31092 25.11928 -0.7762146     45.48586 
1 1 1 -16 16 45 o 111.4241 21.42031 439.0361       134.8930 55.62921       413.1660 484.7808       142.7134 73.68559 35.03873 117.0670 21.58135 -43.38140      41.15176 
1 1 1 -16 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 17 2  o 538.9522 19.17808 8629.342       605.2197 8629.342       605.2197 0.000000       0.000000 538.9522 19.17808 ?        ?        0.000000       19.17808 
1 1 1 -16 17 3  f 485.0057 14.24288 6949.423       404.6920 0.000000       0.000000 6949.423       404.6920 ?        ?        485.0057 14.24288 0.000000       14.24288 
1 1 1 -16 17 4  o 482.8770 22.30470 6964.383       629.9538 0.000000       0.000000 6964.383       629.9538 ?        ?        482.8770 22.30470 0.000000       22.30470 
1 1 1 -16 17 5  o 493.4115 11.12892 7169.022       322.0423 6968.520       505.1815 7306.281       417.9825 484.5680 17.80662 497.2219 14.34867 -12.65390      22.86832 
1 1 1 -16 17 6  o 329.6849 9.620653 3200.207       185.8187 3398.308       277.0745 3038.277       250.5044 338.9967 13.96630 320.6234 13.35122 18.37332       19.32130 
1 1 1 -16 17 7  o 163.1788 10.54124 787.1411       100.3404 751.0067       124.3882 854.4603       169.7808 158.9611 13.46920 168.9291 17.38487 -9.968033      21.99211 
1 1 1 -16 17 8  o 355.8747 9.686364 3729.322       201.9782 3729.282       301.0959 3729.354       272.3439 354.9586 14.49409 355.2649 13.09358 -0.3062439     19.53255 
1 1 1 -16 17 9  o 265.6138 9.259388 2078.057       144.0187 2161.047       204.1443 1995.829       203.2052 270.3114 12.91458 259.6647 13.38876 10.64670       18.60230 
1 1 1 -16 17 10 f 138.9571 13.06570 574.9486       105.2296 605.9573       110.5048 273.2327       344.6976 142.6379 13.36547 106.3088 40.26467 36.32903       42.42498 
1 1 1 -16 17 11 f 65.90068 18.42976 132.8022       73.99775 121.3831       91.31977 154.6371       126.2771 64.74039 21.02097 73.76981 24.75249 -9.029427      32.47409 
1 1 1 -16 17 12 o 286.6122 9.302633 2420.292       156.1620 2729.072       233.4986 2170.413       210.0505 303.6694 13.14202 270.7211 13.27017 32.94836       18.67646 
1 1 1 -16 17 13 o 396.3328 11.05775 4635.100       256.7749 4554.000       352.8365 4726.410       374.3903 391.7040 15.38901 398.8556 16.03780 -7.151520      22.22685 
1 1 1 -16 17 14 o 395.0063 11.14606 4605.801       257.9536 4424.589       347.6245 4827.851       384.8054 385.9960 15.38679 402.9167 16.31829 -16.92072      22.42855 
1 1 1 -16 17 15 o 266.7029 9.884645 2098.574       154.3431 2163.929       205.4331 2013.873       233.8696 270.2361 13.00027 260.1255 15.39883 10.11053       20.15269 
1 1 1 -16 17 16 o 406.9003 11.34262 4890.139       270.4133 4777.998       367.2289 5022.971       399.6719 400.9074 15.64866 410.7143 16.62693 -9.806885      22.83277 
1 1 1 -16 17 17 o 439.6502 12.78021 5720.177       329.1808 0.000000       0.000000 5720.177       329.1808 ?        ?        439.6502 12.78021 0.000000       12.78021 
1 1 1 -16 17 18 o 130.1534 11.34604 503.7616       85.74165 0.000000       0.000000 503.7616       85.74165 ?        ?        130.1534 11.34604 0.000000       11.34604 
1 1 1 -16 17 19 o 364.7612 8.487038 3916.061       181.5580 0.000000       0.000000 3916.061       181.5580 ?        ?        364.7612 8.487038 0.000000       8.487038 
1 1 1 -16 17 20 f 117.7806 13.54661 415.8621       91.87202 297.4490       472.2308 420.5202       93.66164 116.2922 46.24999 118.4097 13.74219 -2.117439      48.24842 
1 1 1 -16 17 21 o 154.3707 11.92434 707.9924       107.1205 195.7673       507.6535 731.8624       109.5880 112.7126 46.77112 156.9542 11.99618 -44.24167      48.28505 
1 1 1 -16 17 22 o 108.4599 15.80702 356.5083       97.59182 613.9706       519.3873 347.0858       99.36160 140.4719 50.04454 106.8652 16.37472 33.60669       52.65536 
1 1 1 -16 17 23 o 87.16840 19.09240 235.8106       94.89718 -257.6671      535.7132 251.7971       96.42206 93.77098 42.99669 90.17273 18.84087 3.598251       46.94352 
1 1 1 -16 17 24 o 88.94261 19.98060 246.5088       101.6730 147.8351       509.0098 250.6094       103.7641 109.1465 46.16020 89.65181 20.21865 19.49473       50.39403 
1 1 1 -16 17 25 o 273.4562 8.423614 2204.908       134.9331 1105.271       517.5425 2285.106       139.7670 177.8471 48.35629 278.3626 8.571583 -100.5155      49.11011 
1 1 1 -16 17 26 o 187.2607 12.13898 1043.363       132.5967 630.0956       448.0287 1083.036       138.8154 137.1537 46.62287 190.7247 12.47878 -53.57097      48.26398 
1 1 1 -16 17 27 o 181.4366 10.78332 977.5131       114.2258 765.9176       449.1299 992.1461       118.1095 147.6830 46.47966 182.7326 11.07290 -35.04953      47.78041 
1 1 1 -16 17 28 o 189.9543 12.31252 1076.047       136.4270 0.000000       0.000000 1076.047       136.4270 ?        ?        189.9543 12.31252 0.000000       12.31252 
1 1 1 -16 17 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 17 30 o 154.0998 12.27025 711.0901       109.9784 0.000000       0.000000 711.0901       109.9784 ?        ?        154.0998 12.27025 0.000000       12.27025 
1 1 1 -16 17 31 o 63.19527 22.18605 112.5735       101.7743 850.8633       508.6089 81.77837       103.8752 148.0903 49.67606 58.51987 22.11727 89.57043       54.37725 
1 1 1 -16 17 32 o 258.8272 8.406199 1984.883       127.4335 2709.192       497.3590 1933.992       131.8344 286.2606 30.07354 255.3526 8.816368 30.90800       31.33921 
1 1 1 -16 17 33 o 39.79625 17.99098 -40.02324      89.69112 -893.3897      473.8839 -8.317818      91.34209 64.48810 32.06955 43.56370 18.99762 20.92440       37.27420 
1 1 1 -16 17 34 o 54.07418 20.92896 67.63435       94.48321 -196.7111      424.7140 81.39792       96.91171 77.10835 36.32399 56.56388 21.36641 20.54448       42.14209 
1 1 1 -16 17 35 o 66.64238 20.72472 143.0022       89.56984 236.0212       440.6337 138.9929       91.47978 95.45046 41.67335 65.92523 21.00537 29.52523       46.66791 
1 1 1 -16 17 36 o 124.8677 13.30901 479.5909       95.96411 576.3742       446.6698 474.9074       98.25860 114.1157 45.10957 124.0661 13.73384 -9.950417      47.15392 
1 1 1 -16 17 37 o 47.02048 19.73701 25.22329       91.94682 -194.7134      420.9383 36.24290       94.22209 73.75301 35.15408 48.89179 20.20617 24.86122       40.54749 
1 1 1 -16 17 38 o 33.17742 15.93300 -114.9443      90.05413 -828.9724      401.0181 -77.02438      92.41445 55.66551 27.95043 36.51235 17.11931 19.15316       32.77647 
1 1 1 -16 17 39 o 44.13954 19.18214 4.077453       92.44723 -452.2042      387.0779 31.67887       95.20234 61.82916 30.42059 48.01211 20.11370 13.81705       36.46880 
1 1 1 -16 17 40 o 57.05905 21.61177 93.58347       99.30645 283.9440       388.3248 80.26315       102.7221 87.82983 38.70901 55.44646 21.71906 32.38337       44.38586 
1 1 1 -16 17 41 o 133.5516 14.81140 566.8032       114.0619 1251.550       405.6985 508.0318       118.8561 160.1834 42.49236 125.1678 16.60004 35.01566       45.61975 
1 1 1 -16 17 42 o 77.91157 22.77405 218.3142       110.5907 1051.844       412.3681 153.7185       114.7959 137.4507 44.67266 66.77819 23.55283 70.67249       50.50131 
1 1 1 -16 17 43 o 111.3189 20.44859 428.4707       128.5823 715.0286       427.0372 399.9001       134.8400 106.8260 43.45306 105.8360 22.42191 0.9900208      48.89693 
1 1 1 -16 17 44 o 77.47555 25.19738 227.4989       131.1813 98.74963       403.1027 242.7490       138.7330 75.22625 35.42205 79.46154 25.91731 -4.235291      43.89110 
1 1 1 -16 17 45 o 61.69477 24.65208 118.1509       134.7904 180.8064       413.6685 110.7084       142.5714 77.40653 36.26951 61.37129 25.05341 16.03524       44.08118 
1 1 1 -16 18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 18 2  o 372.8246 10.95069 4096.932       239.1806 3796.119       309.1286 4545.623       377.5414 358.1105 14.75035 391.4841 16.48058 -33.37360      22.11746 
1 1 1 -16 18 3  o 476.2290 18.49293 6742.310       515.5203 0.000000       0.000000 6742.310       515.5203 ?        ?        476.2290 18.49293 0.000000       18.49293 
1 1 1 -16 18 4  o 404.4987 17.00470 4856.953       402.5009 0.000000       0.000000 4856.953       402.5009 ?        ?        404.4987 17.00470 0.000000       17.00470 
1 1 1 -16 18 5  o 170.7544 10.92408 862.2506       108.8238 959.5995       132.3826 659.3720       191.1101 179.9315 12.62519 146.8786 22.93505 33.05298       26.18037 
1 1 1 -16 18 6  o 368.6825 9.887569 4003.535       213.5995 3911.494       313.6722 4083.120       291.6765 363.4358 14.74690 371.6493 13.40385 -8.213562      19.92822 
1 1 1 -16 18 7  o 198.5041 9.827517 1162.624       114.0542 1187.253       147.6868 1126.230       179.5300 200.2018 12.64290 194.3946 15.88557 5.807266       20.30257 
1 1 1 -16 18 8  o 444.0814 10.56458 5808.773       275.1473 5998.087       437.5435 5684.940       353.8735 449.4873 16.62656 438.4270 13.77970 11.06030       21.59451 
1 1 1 -16 18 9  o 45.82592 18.07752 35.33675       71.60040 11.70818       83.70811 99.75535       138.2147 45.15949 18.88548 67.25253 25.49096 -22.09303      31.72461 
1 1 1 -16 18 10 o 352.1368 12.76467 3666.234       263.1797 0.000000       0.000000 3666.234       263.1797 ?        ?        352.1368 12.76467 0.000000       12.76467 
1 1 1 -16 18 11 o 259.8148 8.957671 1988.900       136.2886 2099.629       196.9754 1887.206       188.7687 266.3404 12.64640 252.4492 12.79155 13.89113       17.98764 
1 1 1 -16 18 12 o 362.7890 9.451691 3878.157       200.9297 3902.500       309.1886 3860.362       264.3628 362.7315 14.56369 361.3057 12.49479 1.425751       19.18909 
1 1 1 -16 18 13 o 366.6695 9.683844 3962.971       208.0620 4268.249       328.8673 3759.231       268.6655 379.2429 14.81457 356.4028 12.87462 22.84009       19.62720 
1 1 1 -16 18 14 o 235.5592 8.827791 1635.627       121.7401 1533.357       166.8424 1752.078       178.0352 227.4525 12.55606 243.1852 12.52518 -15.73267      17.73513 
1 1 1 -16 18 15 o 372.7041 12.46807 4109.927       272.1461 0.000000       0.000000 4109.927       272.1461 ?        ?        372.7041 12.46807 0.000000       12.46807 
1 1 1 -16 18 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 18 17 o 289.8683 8.006205 2473.904       135.9759 0.000000       0.000000 2473.904       135.9759 ?        ?        289.8683 8.006205 0.000000       8.006205 
1 1 1 -16 18 18 o 68.66991 19.51404 144.6270       82.27736 539.1609       483.4975 132.8613       83.49518 133.8711 48.21452 66.26931 19.89572 67.60181       52.15821 
1 1 1 -16 18 19 o 126.2558 13.25562 476.6703       96.69061 1899.302       470.1199 413.8334       98.80293 245.6868 33.49855 117.2679 14.68740 128.4189       36.57694 
1 1 1 -16 18 20 o 266.0714 8.714919 2086.243       135.8081 1637.712       564.5848 2113.790       139.9164 222.0528 44.89848 267.7926 8.921257 -45.73973      45.77622 
1 1 1 -16 18 21 o 238.5808 8.826373 1678.255       123.2875 1940.129       533.5704 1663.485       126.7165 245.6698 38.28006 237.4843 9.114962 8.185471       39.35029 
1 1 1 -16 18 22 o 79.28141 20.86970 195.5288       98.34530 -670.6078      527.2165 226.7534       100.1023 79.75554 38.36587 85.30849 20.30279 -5.552948      43.40672 
1 1 1 -16 18 23 o 63.31746 22.05540 109.4719       100.4600 92.83584       486.5527 110.2127       102.6723 104.4528 44.68451 63.70893 22.28988 40.74389       49.93540 
1 1 1 -16 18 24 o 50.39890 20.52596 32.01122       95.42753 -1068.386      503.4525 73.01936       97.18940 67.65120 33.54169 56.77760 21.40808 10.87360       39.79134 
1 1 1 -16 18 25 o 84.12817 22.63459 222.3713       114.1093 0.000000       0.000000 222.3713       114.1093 ?        ?        84.12817 22.63459 0.000000       22.63459 
1 1 1 -16 18 26 o 105.8333 18.28229 345.8246       109.3739 -517.9438      523.1037 385.3124       111.8460 82.13142 39.15907 112.0353 17.60192 -29.90385      42.93320 
1 1 1 -16 18 27 o 195.7328 10.09257 1135.957       115.4640 1585.264       488.7507 1109.398       118.8276 216.1791 40.02355 193.3329 10.51962 22.84622       41.38293 
1 1 1 -16 18 28 o 302.7931 14.75871 2747.011       261.2972 3967.232       558.9742 2405.814       295.5800 355.5683 27.00715 281.8617 17.97452 73.70667       32.44179 
1 1 1 -16 18 29 o 152.8210 15.27755 706.7997       135.0930 0.000000       0.000000 706.7997       135.0930 ?        ?        152.8210 15.27755 0.000000       15.27755 
1 1 1 -16 18 30 o 357.5843 8.488632 3779.050       178.0191 4005.694       626.9289 3759.173       185.6614 350.9588 30.76969 356.5115 8.879683 -5.552643      32.02534 
1 1 1 -16 18 31 o 100.0018 17.87955 313.0560       101.0120 420.8172       472.8689 307.9036       103.3986 115.2105 46.12713 98.95384 18.49678 16.25662       49.69751 
1 1 1 -16 18 32 o 113.6626 14.81717 397.1361       96.42286 429.7563       446.4218 395.5398       98.75390 112.1649 44.84877 113.2791 15.25178 -1.114243      47.37119 
1 1 1 -16 18 33 o 74.59616 20.11508 180.6593       89.99729 -596.8607      415.3292 218.9657       92.18761 64.73576 31.78277 82.24049 19.42509 -17.50473      37.24887 
1 1 1 -16 18 34 o 196.8122 9.429395 1157.999       108.5229 818.2089       496.0850 1175.077       111.2166 132.8161 48.69020 198.1938 9.596699 -65.37769      49.62693 
1 1 1 -16 18 35 o 162.4211 10.60605 795.2280       100.4765 677.3987       441.0928 801.6765       103.1893 122.1347 45.70080 162.9750 10.85793 -40.84028      46.97295 
1 1 1 -16 18 36 o 117.5824 14.00986 428.9287       94.71304 351.6749       418.5279 433.0986       97.23557 98.51300 41.76864 118.0072 14.34391 -19.49419      44.16296 
1 1 1 -16 18 37 o 83.47285 20.20906 233.7238       97.86383 -123.9169      414.2653 254.8623       100.7145 74.80031 35.42785 87.28939 20.09033 -12.48908      40.72780 
1 1 1 -16 18 38 o 45.51641 19.71303 7.393164       96.95448 -94.91665      412.8574 13.36475       99.74386 74.68320 35.37097 46.74204 20.11772 27.94116       40.69187 
1 1 1 -16 18 39 o 40.92951 18.55206 -33.58153      96.12479 -205.8551      429.6740 -24.50521      98.62448 71.22317 34.35549 42.34037 19.02750 28.88280       39.27271 
1 1 1 -16 18 40 o 95.00298 19.84875 306.5520       107.0208 192.9311       416.8167 314.5710       110.7330 83.33370 38.10390 95.97266 20.30786 -12.63896      43.17773 
1 1 1 -16 18 41 o 54.03848 22.01310 67.00358       109.7851 -463.6102      410.3040 107.9217       113.9395 61.43319 30.42725 59.97554 23.04357 1.457653       38.16836 
1 1 1 -16 18 42 o 104.1207 20.41192 374.0949       120.1865 346.5621       425.4954 376.4821       125.2885 87.69267 39.45564 103.7769 21.29975 -16.08425      44.83778 
1 1 1 -16 18 43 o 56.29477 23.54281 70.60470       130.0904 -148.4578      431.8777 92.46447       136.4268 69.01785 33.56268 59.34867 24.39910 9.669170       41.49421 
1 1 1 -16 18 44 o 66.26563 25.19651 151.6989       135.2998 653.2600       404.6430 88.56474       143.5629 102.3226 42.03842 59.36209 24.77179 42.96053       48.79416 
1 1 1 -16 19 1  o 551.5043 19.55822 9062.938       631.5980 9062.938       631.5980 0.000000       0.000000 551.5043 19.55822 ?        ?        0.000000       19.55822 
1 1 1 -16 19 2  o 727.8154 25.35214 15942.33       1080.495 0.000000       0.000000 15942.33       1080.495 ?        ?        727.8154 25.35214 0.000000       25.35214 
1 1 1 -16 19 3  f 569.0184 20.64757 9666.439       687.8998 0.000000       0.000000 9666.439       687.8998 ?        ?        569.0184 20.64757 0.000000       20.64757 
1 1 1 -16 19 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 19 5  o 177.8183 10.07737 933.9706       104.6629 894.3229       130.4940 1005.470       175.2398 173.5813 12.91096 183.4529 16.46248 -9.871643      20.92143 
1 1 1 -16 19 6  o 218.0986 9.465981 1402.622       120.7907 1322.924       154.9118 1526.231       192.9240 211.3479 12.55444 226.6866 14.58888 -15.33870      19.24706 
1 1 1 -16 19 7  o 614.2640 12.74504 11140.82       459.1417 11390.64       775.4292 11005.95       569.7573 616.8922 21.46568 609.1472 15.96216 7.744934       26.75006 
1 1 1 -16 19 8  f 158.2793 10.52517 741.4045       97.14704 689.9836       120.9168 835.0291       163.1593 152.1709 13.69529 166.8871 16.90294 -14.71622      21.75477 
1 1 1 -16 19 9  o 216.9966 9.300107 1388.703       118.0818 1421.890       158.4877 1347.295       177.0330 219.1012 12.38431 212.9076 14.26015 6.193604       18.88711 
1 1 1 -16 19 10 o 155.8880 10.16707 719.0315       92.44487 800.6791       121.6273 607.3381       142.2568 164.1398 12.73429 141.8880 17.46329 22.25188       21.61316 
1 1 1 -16 19 11 o 332.2149 12.24268 3263.908       238.1237 0.000000       0.000000 3263.908       238.1237 ?        ?        332.2149 12.24268 0.000000       12.24268 
1 1 1 -16 19 12 o 235.8005 12.98986 1648.738       178.9445 0.000000       0.000000 1648.738       178.9445 ?        ?        235.8005 12.98986 0.000000       12.98986 
1 1 1 -16 19 13 o 239.7074 7.833073 1691.907       109.9716 0.000000       0.000000 1691.907       109.9716 ?        ?        239.7074 7.833073 0.000000       7.833073 
1 1 1 -16 19 14 o 351.9554 8.114666 3644.583       167.4977 0.000000       0.000000 3644.583       167.4977 ?        ?        351.9554 8.114666 0.000000       8.114666 
1 1 1 -16 19 15 o 205.5872 8.367605 1245.897       100.6791 0.000000       0.000000 1245.897       100.6791 ?        ?        205.5872 8.367605 0.000000       8.367605 
1 1 1 -16 19 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 19 17 o 409.4912 8.684187 4936.103       208.5568 0.000000       0.000000 4936.103       208.5568 ?        ?        409.4912 8.684187 0.000000       8.684187 
1 1 1 -16 19 18 o 68.75562 20.51772 143.4875       89.00114 0.000000       0.000000 143.4875       89.00114 ?        ?        68.75562 20.51772 0.000000       20.51772 
1 1 1 -16 19 19 o 277.4223 8.760388 2267.960       142.3543 0.000000       0.000000 2267.960       142.3543 ?        ?        277.4223 8.760388 0.000000       8.760388 
1 1 1 -16 19 20 o 340.2883 8.364814 3408.145       166.9375 2889.419       550.2103 3460.739       175.1960 304.8072 31.21951 342.7392 8.722942 -37.93204      32.41524 
1 1 1 -16 19 21 o 253.2116 8.952422 1890.804       132.7366 1416.439       550.3204 1920.106       136.7748 204.3100 46.91875 255.1355 9.155653 -50.82559      47.80372 
1 1 1 -16 19 22 o 312.8412 8.221115 2883.432       150.7054 2425.864       540.7939 2921.958       156.9217 276.5881 34.05696 314.8739 8.505381 -38.28580      35.10297 
1 1 1 -16 19 23 o 261.7966 8.667755 2021.622       132.8991 1457.811       605.6066 2050.147       136.2195 203.1419 50.93280 263.6112 8.823429 -60.46936      51.69142 
1 1 1 -16 19 24 o 96.89661 21.41258 294.5590       118.4379 0.000000       0.000000 294.5590       118.4379 ?        ?        96.89661 21.41258 0.000000       21.41258 
1 1 1 -16 19 25 o 109.8152 19.26099 373.4600       119.5274 0.000000       0.000000 373.4600       119.5274 ?        ?        109.8152 19.26099 0.000000       19.26099 
1 1 1 -16 19 26 o 315.3043 8.363435 2934.233       154.5188 1928.020       549.9283 3020.482       161.0051 238.4172 40.79504 319.8512 8.590819 -81.43405      41.68978 
1 1 1 -16 19 27 o 109.1797 16.79602 365.8870       104.1057 175.3077       537.0667 373.3275       106.1185 109.1220 46.81971 110.2626 16.95212 -1.140640      49.79417 
1 1 1 -16 19 28 o 87.80330 20.49679 243.9237       103.6181 252.3156       523.4422 243.5814       105.7100 111.4240 46.95021 87.67245 20.86263 23.75155       51.37676 
1 1 1 -16 19 29 o 295.0461 8.695020 2575.406       150.2924 2742.828       577.0112 2563.221       155.6655 286.3712 35.08844 294.2446 9.031250 -7.873413      36.23206 
1 1 1 -16 19 30 o 64.38901 24.66035 98.38950       130.2058 0.000000       0.000000 98.38950       130.2058 ?        ?        64.38901 24.66035 0.000000       24.66035 
1 1 1 -16 19 31 o 146.4616 12.49493 647.3696       106.3028 0.000000       0.000000 647.3696       106.3028 ?        ?        146.4616 12.49493 0.000000       12.49493 
1 1 1 -16 19 32 f 149.0402 11.74669 670.1726       101.8467 1181.852       475.0912 645.5253       104.2708 168.7834 46.50918 146.0660 12.28580 22.71736       48.10452 
1 1 1 -16 19 33 o 44.51962 19.02975 8.110851       88.11265 338.7372       444.5760 -5.407561      89.89594 102.4319 43.22089 43.30756 18.86689 59.12429       47.15936 
1 1 1 -16 19 34 o 107.0079 15.00894 357.2111       91.60638 228.0217       441.8006 363.0149       93.64146 94.61194 41.50697 107.7918 15.23698 -13.17991      44.21532 
1 1 1 -16 19 35 f 169.9645 10.33812 870.3051       102.5632 583.8801       433.0582 887.3255       105.5665 114.3240 44.64935 171.5325 10.54468 -57.20850      45.87761 
1 1 1 -16 19 36 o 44.40982 19.13039 7.259510       90.34281 459.6055       423.5869 -14.29766      92.47046 103.6341 42.83779 42.44160 18.78880 61.19255       46.77708 
1 1 1 -16 19 37 o 156.8258 11.63101 751.4796       106.2143 522.1114       422.1792 766.9786       109.7443 105.1535 43.04115 158.2899 11.90898 -53.13642      44.65830 
1 1 1 -16 19 38 o 117.2400 15.79805 438.3102       105.8632 -149.3950      409.8473 480.3241       109.5818 72.04074 34.43410 122.9526 15.54348 -50.91187      37.77972 
1 1 1 -16 19 39 o 79.17538 21.79530 218.8671       104.3930 709.0190       456.6516 191.8391       107.2326 111.2914 45.05712 74.02486 22.61593 37.26656       50.41452 
1 1 1 -16 19 40 o 138.0466 14.28360 602.4088       113.9730 169.1052       449.7736 632.1412       117.8184 82.53206 38.38800 141.3473 14.41417 -58.81525      41.00496 
1 1 1 -16 19 41 o 124.4825 16.31238 503.4711       116.2275 529.4396       424.8531 501.3704       120.8372 97.69332 41.77314 123.6280 17.12543 -25.93468      45.14726 
1 1 1 -16 19 42 o 139.4924 16.34471 634.3245       131.1815 644.9252       422.3743 633.1927       138.0064 102.5868 42.62371 138.4977 17.37164 -35.91090      46.02776 
1 1 1 -16 19 43 o 82.18123 25.67365 259.5521       137.2868 1462.811       423.1151 117.9689       145.1393 167.9265 42.83261 62.80099 25.41030 105.1255       49.80277 
1 1 1 -16 19 44 o 51.63509 22.85202 19.03698       136.6920 98.62157       404.7159 8.789497       145.2260 74.18462 35.10091 51.90393 23.22539 22.28069       42.08911 
1 1 1 -16 20 1  o 132.3838 12.11735 521.3780       93.03680 450.6847       104.6797 787.1947       202.9853 122.5228 14.87199 160.7640 22.11439 -38.24116      26.65000 
1 1 1 -16 20 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 20 3  o 303.5668 10.12940 2717.284       180.0861 2687.336       233.8689 2760.909       282.2633 301.2924 13.26783 304.7882 15.84527 -3.495758      20.66659 
1 1 1 -16 20 4  o 336.4405 10.51675 3338.576       207.2558 3173.855       270.5001 3572.748       322.5229 327.2607 14.12691 346.7779 15.90069 -19.51712      21.26973 
1 1 1 -16 20 5  o 348.8145 9.577112 3585.167       195.7350 3500.506       286.4570 3659.313       268.0782 343.6636 14.24353 351.6904 13.01970 -8.026794      19.29743 
1 1 1 -16 20 6  o 437.7242 10.43887 5646.436       267.9814 5962.371       434.8252 5452.944       340.2879 447.8245 16.58468 429.2292 13.53474 18.59528       21.40656 
1 1 1 -16 20 7  o 145.4843 11.10329 627.7725       94.02103 627.0822       115.7713 629.1097       161.1384 144.9615 13.78316 143.9471 19.59565 1.014420       23.95757 
1 1 1 -16 20 8  o 135.2000 11.66244 543.3781       91.57026 498.4087       111.8437 634.8143       159.4821 128.8304 15.08827 144.6664 19.27653 -15.83595      24.47939 
1 1 1 -16 20 9  o 104.4380 41.90663 208.3636       391.1920 0.000000       0.000000 208.3636       391.1920 ?        ?        104.4380 41.90663 0.000000       41.90663 
1 1 1 -16 20 10 o 61.20667 24.04671 68.56123       126.2383 0.000000       0.000000 68.56123       126.2383 ?        ?        61.20667 24.04671 0.000000       24.04671 
1 1 1 -16 20 11 o 451.7846 8.981138 6009.443       237.9651 0.000000       0.000000 6009.443       237.9651 ?        ?        451.7846 8.981138 0.000000       8.981138 
1 1 1 -16 20 12 o 247.7897 7.977220 1808.124       115.7761 0.000000       0.000000 1808.124       115.7761 ?        ?        247.7897 7.977220 0.000000       7.977220 
1 1 1 -16 20 13 o 492.7081 11.20891 7164.359       323.8947 0.000000       0.000000 7164.359       323.8947 ?        ?        492.7081 11.20891 0.000000       11.20891 
1 1 1 -16 20 14 o 465.7732 17.73896 6472.924       483.6806 0.000000       0.000000 6472.924       483.6806 ?        ?        465.7732 17.73896 0.000000       17.73896 
1 1 1 -16 20 15 o 255.8084 12.62795 1939.111       188.8659 0.000000       0.000000 1939.111       188.8659 ?        ?        255.8084 12.62795 0.000000       12.62795 
1 1 1 -16 20 16 o 466.5175 10.59636 6418.476       289.9180 0.000000       0.000000 6418.476       289.9180 ?        ?        466.5175 10.59636 0.000000       10.59636 
1 1 1 -16 20 17 o 242.0930 9.829377 1729.896       139.2691 0.000000       0.000000 1729.896       139.2691 ?        ?        242.0930 9.829377 0.000000       9.829377 
1 1 1 -16 20 18 o 287.6410 8.520831 2437.381       143.5834 0.000000       0.000000 2437.381       143.5834 ?        ?        287.6410 8.520831 0.000000       8.520831 
1 1 1 -16 20 19 o 133.3293 13.40801 531.4023       103.4213 0.000000       0.000000 531.4023       103.4213 ?        ?        133.3293 13.40801 0.000000       13.40801 
1 1 1 -16 20 20 o 110.0076 16.95216 368.5244       105.8618 0.000000       0.000000 368.5244       105.8618 ?        ?        110.0076 16.95216 0.000000       16.95216 
1 1 1 -16 20 21 o 166.4222 11.32394 822.1242       109.8664 594.2093       508.4253 833.2881       112.5250 137.4482 49.44957 167.5176 11.52370 -30.06938      50.77456 
1 1 1 -16 20 22 o 141.3297 13.28273 597.3790       108.8054 787.0104       569.6519 590.1989       110.8461 152.0337 52.54377 140.3973 13.63349 11.63635       54.28370 
1 1 1 -16 20 23 o 216.2491 9.837866 1383.396       124.4419 0.000000       0.000000 1383.396       124.4419 ?        ?        216.2491 9.837866 0.000000       9.837866 
1 1 1 -16 20 24 o 166.6292 11.05556 825.3640       107.4284 342.0956       542.3151 845.1022       109.6003 119.8542 48.88721 168.5995 11.14677 -48.74532      50.14190 
1 1 1 -16 20 25 o 67.94352 21.95238 137.9915       99.66459 -44.89909      504.2416 145.4269       101.6703 96.98241 43.34546 69.44347 22.14647 27.53894       48.67541 
1 1 1 -16 20 26 o 154.0969 15.19938 716.8907       135.5766 -386.1899      553.7449 787.2310       139.8325 88.20748 41.52898 161.6261 14.92015 -73.41865      44.12785 
1 1 1 -16 20 27 f 357.8526 8.367115 3779.904       175.6024 3117.942       608.0094 3840.146       183.4188 308.2922 34.20252 360.6052 8.672842 -52.31296      35.28499 
1 1 1 -16 20 28 o 148.0824 16.41581 668.4427       140.1742 1056.295       520.3581 638.0958       145.5548 165.9293 49.63425 144.2492 17.56716 21.68011       52.65134 
1 1 1 -16 20 29 o 329.7359 8.458451 3217.100       163.4365 5003.571       643.6865 3093.992       168.9740 394.5878 27.99690 323.1975 8.923126 71.39026       29.38450 
1 1 1 -16 20 30 o 125.5313 15.12290 482.7796       109.0963 0.000000       0.000000 482.7796       109.0963 ?        ?        125.5313 15.12290 0.000000       15.12290 
1 1 1 -16 20 31 o 78.01624 20.41209 197.2592       94.45295 646.6542       469.5210 178.3057       96.42419 125.9867 47.14879 74.24988 21.13361 51.73680       51.66854 
1 1 1 -16 20 32 o 160.7187 11.21742 778.4210       105.0691 0.000000       0.000000 778.4210       105.0691 ?        ?        160.7187 11.21742 0.000000       11.21742 
1 1 1 -16 20 33 o 46.31215 19.47276 20.38296       89.73882 15.98179       472.5586 20.54761       91.40202 87.19062 40.12726 46.67837 19.64108 40.51225       44.67627 
1 1 1 -16 20 34 o 47.89138 19.72619 33.80424       89.39544 -90.29850      433.3236 39.32090       91.36076 79.58055 37.23416 49.02457 20.03930 30.55598       42.28423 
1 1 1 -16 20 35 o 43.05507 18.90592 -7.970577      91.85046 -465.4525      472.3534 10.00747       93.63783 70.17048 34.33526 45.50218 19.53685 24.66830       39.50441 
1 1 1 -16 20 36 f 178.6546 10.56973 966.8673       110.2513 846.8791       448.2618 974.5931       113.7453 127.7353 46.36703 179.2029 10.87393 -51.46760      47.62503 
1 1 1 -16 20 37 o 54.36501 21.38384 72.56370       99.92937 368.1246       432.5217 55.89732       102.7082 95.18210 41.42616 52.45213 21.31972 42.72997       46.59032 
1 1 1 -16 20 38 o 69.55655 22.71177 165.6971       106.5229 -300.1653      420.9907 197.5635       110.1059 67.78864 33.00377 75.16332 22.90774 -7.374680      40.17479 
1 1 1 -16 20 39 o 124.9098 15.53727 499.5695       111.3675 332.4469       416.3832 512.4461       115.5782 89.53062 39.73995 126.2387 15.96771 -36.70807      42.82792 
1 1 1 -16 20 40 o 34.17513 16.55176 -140.0594      102.2707 -97.47353      409.4376 -142.8933      105.6186 70.92171 34.03675 34.76889 16.83483 36.15282       37.97252 
1 1 1 -16 20 41 o 95.15991 21.94056 321.6400       119.9435 974.3919       393.5599 254.8032       125.9345 132.1326 43.68192 82.90417 24.32177 49.22842       49.99658 
1 1 1 -16 20 42 o 47.65066 21.43549 -11.80939      125.5204 -525.1877      355.6414 61.24036       134.1538 54.77050 27.32429 55.74239 23.64158 -0.9718819     36.13227 
1 1 1 -16 20 43 o 175.5394 15.56435 997.3219       158.5754 0.000000       0.000000 997.3219       158.5754 ?        ?        175.5394 15.56435 0.000000       15.56435 
1 1 1 -16 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 21 2  o 369.1391 16.67659 4055.383       360.1015 0.000000       0.000000 4055.383       360.1015 ?        ?        369.1391 16.67659 0.000000       16.67659 
1 1 1 -16 21 3  o 244.5866 10.19619 1765.782       145.9377 1757.699       180.8009 1780.894       247.2204 243.5868 12.69986 244.1259 17.38080 -0.5391846     21.52623 
1 1 1 -16 21 4  o 263.6028 16.39821 2071.089       252.2556 0.000000       0.000000 2071.089       252.2556 ?        ?        263.6028 16.39821 0.000000       16.39821 
1 1 1 -16 21 5  o 140.9526 11.72091 590.3633       96.01541 505.9694       117.2488 762.1758       167.2940 129.6798 15.73826 158.9672 18.27624 -29.28743      24.11875 
1 1 1 -16 21 6  o 198.3622 9.852821 1162.019       114.2638 1211.700       144.3974 1078.800       186.8859 202.1886 12.23459 189.7707 16.97071 12.41782       20.92105 
1 1 1 -16 21 7  o 167.1839 18.00789 841.6821       173.7849 0.000000       0.000000 841.6821       173.7849 ?        ?        167.1839 18.00789 0.000000       18.00789 
1 1 1 -16 21 8  o 388.5418 8.428476 4442.465       192.0602 0.000000       0.000000 4442.465       192.0602 ?        ?        388.5418 8.428476 0.000000       8.428476 
1 1 1 -16 21 9  o 470.0277 9.547245 6507.990       263.1795 0.000000       0.000000 6507.990       263.1795 ?        ?        470.0277 9.547245 0.000000       9.547245 
1 1 1 -16 21 10 o 106.4347 12.39293 339.1713       75.91315 0.000000       0.000000 339.1713       75.91315 ?        ?        106.4347 12.39293 0.000000       12.39293 
1 1 1 -16 21 11 o 274.4998 7.941804 2218.479       127.7188 0.000000       0.000000 2218.479       127.7188 ?        ?        274.4998 7.941804 0.000000       7.941804 
1 1 1 -16 21 12 o 350.5943 8.203138 3616.720       168.6691 0.000000       0.000000 3616.720       168.6691 ?        ?        350.5943 8.203138 0.000000       8.203138 
1 1 1 -16 21 13 o 95.60805 14.30204 276.6033       77.73409 0.000000       0.000000 276.6033       77.73409 ?        ?        95.60805 14.30204 0.000000       14.30204 
1 1 1 -16 21 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 21 15 o 165.0232 10.93035 806.8521       105.1902 0.000000       0.000000 806.8521       105.1902 ?        ?        165.0232 10.93035 0.000000       10.93035 
1 1 1 -16 21 16 o 141.3163 13.84054 596.7863       113.2392 0.000000       0.000000 596.7863       113.2392 ?        ?        141.3163 13.84054 0.000000       13.84054 
1 1 1 -16 21 17 o 185.9134 10.88192 1023.229       118.1310 0.000000       0.000000 1023.229       118.1310 ?        ?        185.9134 10.88192 0.000000       10.88192 
1 1 1 -16 21 18 o 213.4330 9.930685 1345.777       123.9650 0.000000       0.000000 1345.777       123.9650 ?        ?        213.4330 9.930685 0.000000       9.930685 
1 1 1 -16 21 19 o 56.09108 21.09021 71.30094       94.17919 0.000000       0.000000 71.30094       94.17919 ?        ?        56.09108 21.09021 0.000000       21.09021 
1 1 1 -16 21 20 o 144.9392 12.15412 625.8007       102.3635 0.000000       0.000000 625.8007       102.3635 ?        ?        144.9392 12.15412 0.000000       12.15412 
1 1 1 -16 21 21 o 225.9690 9.247179 1508.128       122.2898 0.000000       0.000000 1508.128       122.2898 ?        ?        225.9690 9.247179 0.000000       9.247179 
1 1 1 -16 21 22 o 187.6821 11.19867 1045.744       122.7045 746.5253       595.1268 1059.029       125.3988 148.1136 53.47226 188.8380 11.37554 -40.72437      54.66887 
1 1 1 -16 21 23 o 83.77905 21.15890 220.9962       103.9725 -208.8521      560.7466 236.3004       105.8073 95.74366 43.93407 86.62540 21.03874 9.118256       48.71171 
1 1 1 -16 21 24 o 242.7221 9.225831 1742.219       131.0914 2098.878       566.6951 1722.055       134.7462 249.5328 40.07996 241.2406 9.542743 8.292221       41.20033 
1 1 1 -16 21 25 o 337.7310 8.416000 3365.578       166.6968 2606.553       566.1152 3437.637       174.4302 281.9031 34.99254 341.1392 8.725617 -59.23608      36.06403 
1 1 1 -16 21 26 o 223.8162 9.780504 1484.852       128.0718 629.6393       545.0722 1534.825       131.7605 135.2400 50.76149 227.5290 9.897789 -92.28908      51.71746 
1 1 1 -16 21 27 o 231.6997 9.722188 1592.379       131.8177 2244.190       565.5714 1554.937       135.5508 255.7108 38.94044 228.8446 10.12482 26.86621       40.23519 
1 1 1 -16 21 28 o 307.8778 10.12156 2815.490       182.5095 3083.447       620.5200 2790.115       190.9560 301.4874 35.79188 306.2779 10.64702 -4.790497      37.34190 
1 1 1 -16 21 29 o 94.18559 23.06574 288.9012       126.3774 0.000000       0.000000 288.9012       126.3774 ?        ?        94.18559 23.06574 0.000000       23.06574 
1 1 1 -16 21 30 f 153.2199 12.22160 708.6555       108.9135 0.000000       0.000000 708.6555       108.9135 ?        ?        153.2199 12.22160 0.000000       12.22160 
1 1 1 -16 21 31 o 55.70986 20.95158 79.27197       92.95647 1329.843       448.7837 23.21402       95.01706 182.9486 42.62169 47.97115 20.09517 134.9774       47.12137 
1 1 1 -16 21 32 o 39.30847 17.96303 -49.53514      92.45462 0.000000       0.000000 -49.53514      92.45462 ?        ?        39.30847 17.96303 0.000000       17.96303 
1 1 1 -16 21 33 o 37.09969 17.28905 -72.21270      91.92054 375.3401       432.3308 -93.40251      94.07141 101.7605 42.76125 35.98918 16.99674 65.77135       46.01537 
1 1 1 -16 21 34 o 75.83510 21.02723 192.2460       96.77408 -242.4571      490.6542 209.8412       98.71317 77.61250 37.25097 79.18427 20.93927 -1.571770      42.73275 
1 1 1 -16 21 35 o 143.8071 12.87382 636.8248       107.4298 892.3404       466.2734 622.5005       110.4000 130.7220 47.31218 141.8753 13.42799 -11.15331      49.18082 
1 1 1 -16 21 36 o 147.6411 12.87195 672.9911       110.3425 1170.598       491.4515 646.5746       113.2335 146.8582 48.82226 144.3160 13.53658 2.542191       50.66411 
1 1 1 -16 21 37 o 162.4294 12.44093 813.4646       117.6116 1273.780       508.3003 787.4264       120.8922 149.1948 49.65360 159.4112 13.04489 -10.21642      51.33857 
1 1 1 -16 21 38 f 170.2871 12.49504 897.2074       123.9184 555.6189       482.0055 921.3825       128.2284 100.9916 43.84528 172.3744 12.77494 -71.38278      45.66845 
1 1 1 -16 21 39 o 98.35544 20.16957 331.4434       112.4362 -313.6969      438.6575 376.8092       116.3223 66.98901 32.84283 105.5035 19.51819 -38.51447      38.20485 
1 1 1 -16 21 40 o 140.1464 14.45495 624.3580       117.1064 318.8218       404.7708 652.2686       122.3384 86.57967 38.75565 143.0070 14.80029 -56.42735      41.48553 
1 1 1 -16 21 41 o 191.4034 15.37695 1177.496       171.1605 2242.961       405.7225 946.8209       188.7818 239.0988 29.56257 167.0591 19.64305 72.03975       35.49360 
1 1 1 -16 21 42 o 61.39740 24.19923 116.1864       128.2049 716.4485       341.6021 17.77568       138.3156 113.7578 40.57924 52.04481 23.01253 61.71296       46.65031 
1 1 1 -16 22 1  o 319.9009 10.32358 3019.573       193.4315 2781.430       242.4150 3436.931       320.9189 306.3274 13.52681 339.8321 16.14822 -33.50467      21.06512 
1 1 1 -16 22 2  o 524.0620 19.68519 8217.014       603.9488 0.000000       0.000000 8217.014       603.9488 ?        ?        524.0620 19.68519 0.000000       19.68519 
1 1 1 -16 22 3  o 199.5980 19.37095 1200.244       223.9075 0.000000       0.000000 1200.244       223.9075 ?        ?        199.5980 19.37095 0.000000       19.37095 
1 1 1 -16 22 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 22 5  o 93.70758 28.45777 270.5765       170.1256 0.000000       0.000000 270.5765       170.1256 ?        ?        93.70758 28.45777 0.000000       28.45777 
1 1 1 -16 22 6  o 350.1133 8.211983 3606.567       168.6193 0.000000       0.000000 3606.567       168.6193 ?        ?        350.1133 8.211983 0.000000       8.211983 
1 1 1 -16 22 7  o 243.4630 8.557862 1746.659       122.0037 0.000000       0.000000 1746.659       122.0037 ?        ?        243.4630 8.557862 0.000000       8.557862 
1 1 1 -16 22 8  o 318.9047 9.970434 3000.081       186.2480 0.000000       0.000000 3000.081       186.2480 ?        ?        318.9047 9.970434 0.000000       9.970434 
1 1 1 -16 22 9  f 320.2468 8.421022 3020.230       158.0240 0.000000       0.000000 3020.230       158.0240 ?        ?        320.2468 8.421022 0.000000       8.421022 
1 1 1 -16 22 10 o 169.6610 9.267353 850.2363       91.86205 0.000000       0.000000 850.2363       91.86205 ?        ?        169.6610 9.267353 0.000000       9.267353 
1 1 1 -16 22 11 o 302.3326 8.073414 2691.075       143.0223 0.000000       0.000000 2691.075       143.0223 ?        ?        302.3326 8.073414 0.000000       8.073414 
1 1 1 -16 22 12 o 81.51050 18.17778 205.6503       84.68266 0.000000       0.000000 205.6503       84.68266 ?        ?        81.51050 18.17778 0.000000       18.17778 
1 1 1 -16 22 13 o 344.0976 8.487795 3484.652       171.2880 0.000000       0.000000 3484.652       171.2880 ?        ?        344.0976 8.487795 0.000000       8.487795 
1 1 1 -16 22 14 o 228.7651 14.19353 1556.022       189.4899 0.000000       0.000000 1556.022       189.4899 ?        ?        228.7651 14.19353 0.000000       14.19353 
1 1 1 -16 22 15 o 336.5580 8.652782 3336.574       170.6499 0.000000       0.000000 3336.574       170.6499 ?        ?        336.5580 8.652782 0.000000       8.652782 
1 1 1 -16 22 16 o 447.0274 9.157982 5885.922       240.0957 0.000000       0.000000 5885.922       240.0957 ?        ?        447.0274 9.157982 0.000000       9.157982 
1 1 1 -16 22 17 o 131.7215 13.88927 519.7131       105.6834 0.000000       0.000000 519.7131       105.6834 ?        ?        131.7215 13.88927 0.000000       13.88927 
1 1 1 -16 22 18 f 229.3887 9.508845 1553.809       127.6461 0.000000       0.000000 1553.809       127.6461 ?        ?        229.3887 9.508845 0.000000       9.508845 
1 1 1 -16 22 19 o 374.5611 8.867229 4134.210       194.7875 0.000000       0.000000 4134.210       194.7875 ?        ?        374.5611 8.867229 0.000000       8.867229 
1 1 1 -16 22 20 o 374.4278 8.798059 4132.279       193.1993 0.000000       0.000000 4132.279       193.1993 ?        ?        374.4278 8.798059 0.000000       8.798059 
1 1 1 -16 22 21 o 192.2066 10.82623 1095.951       121.5450 0.000000       0.000000 1095.951       121.5450 ?        ?        192.2066 10.82623 0.000000       10.82623 
1 1 1 -16 22 22 o 154.5541 12.70183 713.8951       114.1173 0.000000       0.000000 713.8951       114.1173 ?        ?        154.5541 12.70183 0.000000       12.70183 
1 1 1 -16 22 23 o 146.4887 12.88134 642.6678       109.5405 -630.2644      572.2512 691.0844       111.6043 83.26119 40.03134 152.0042 12.63323 -68.74303      41.97746 
1 1 1 -16 22 24 o 70.32209 21.94558 151.1432       100.3388 584.9836       514.1134 133.9635       102.3062 132.4602 49.38392 67.33939 22.27176 65.12083       54.17382 
1 1 1 -16 22 25 o 228.4331 9.651070 1546.244       129.0046 698.3499       528.5002 1599.965       133.0286 139.7540 50.39869 232.3407 9.784586 -92.58672      51.33971 
1 1 1 -16 22 26 o 201.5436 13.23062 1217.658       155.5219 759.6157       543.6087 1258.490       162.3059 142.4703 51.14736 204.7867 13.59084 -62.31638      52.92224 
1 1 1 -16 22 27 o 159.4650 12.44757 763.3566       115.4910 925.0248       545.6027 755.7729       118.1687 152.4169 51.45267 158.5563 12.81690 -6.139435      53.02500 
1 1 1 -16 22 28 f 183.8966 12.64153 1017.245       135.5107 1778.869       515.7670 960.7715       140.4448 220.7971 41.34914 178.3707 13.52637 42.42638       43.50533 
1 1 1 -16 22 29 o 213.0468 9.584505 1352.508       119.4488 1372.541       470.4392 1351.127       123.4960 188.1840 43.49689 212.8168 9.921866 -24.63283      44.61415 
1 1 1 -16 22 30 o 144.8174 12.10758 634.9714       101.8919 1381.200       432.1083 591.0364       104.8485 190.0201 40.03950 139.3574 12.97785 50.66270       42.09021 
1 1 1 -16 22 31 o 100.9015 16.54584 321.2456       94.52154 1686.550       459.7374 260.9857       96.58495 210.0297 38.75043 89.80264 18.93603 120.2271       43.12968 
1 1 1 -16 22 32 o 53.19786 20.80324 64.51712       94.11018 949.6387       464.6617 26.65605       96.10188 142.3896 47.47651 48.30378 20.22032 94.08585       51.60310 
1 1 1 -16 22 33 o 54.05262 21.20562 67.59919       98.05005 572.8591       499.8885 47.38285       99.99239 112.0648 46.44915 51.53085 21.00209 60.53392       50.97658 
1 1 1 -16 22 34 o 75.66221 21.71380 193.7227       101.3829 79.76196       472.1452 199.2312       103.8043 85.93372 39.74845 76.62431 21.96578 9.309402       45.41404 
1 1 1 -16 22 35 o 61.58925 22.24669 116.6365       103.0275 758.6348       506.5686 88.93457       105.2268 116.9393 47.41506 57.51656 22.13306 59.42278       52.32648 
1 1 1 -16 22 36 o 53.93421 21.35712 70.03246       100.2838 -332.1714      479.5646 88.42461       102.5511 71.37931 34.85579 56.88848 21.86057 14.49083       41.14378 
1 1 1 -16 22 37 o 108.4028 18.09881 387.1695       111.0103 447.0364       512.8982 384.2272       113.7055 96.32221 43.33025 107.5989 18.69687 -11.27666      47.19199 
1 1 1 -16 22 38 o 100.5678 20.05173 344.6554       114.1153 37.02863       514.5804 360.5667       117.0292 80.37569 38.46285 102.8738 20.11829 -22.49815      43.40664 
1 1 1 -16 22 39 o 173.4078 11.84676 929.4971       119.7574 143.7335       449.3700 989.5706       124.2510 80.51376 37.75002 178.8957 11.91049 -98.38198      39.58438 
1 1 1 -16 22 40 o 97.13696 20.55517 328.6180       113.4418 428.4445       402.6626 320.0115       118.2308 91.08521 39.80097 94.96021 21.70443 -3.875008      45.33431 
1 1 1 -16 22 41 o 123.7613 17.66171 510.3398       124.5618 983.4437       354.1034 443.5311       133.0664 137.6693 40.88751 112.6431 20.91221 25.02616       45.92504 
1 1 1 -16 22 42 o 90.59067 24.34613 309.9175       132.1084 643.0995       342.3588 251.6268       143.1992 106.0360 40.13545 80.17226 26.34201 25.86374       48.00787 
1 1 1 -16 23 1  o 339.8192 8.266552 3397.653       164.7490 3535.027       421.5734 3372.892       178.9821 342.8653 21.06693 338.3503 9.027776 4.514954       22.91978 
1 1 1 -16 23 2  o 323.0254 16.68919 3109.898       315.0993 0.000000       0.000000 3109.898       315.0993 ?        ?        323.0254 16.68919 0.000000       16.68919 
1 1 1 -16 23 3  o 445.6970 18.35460 5931.990       478.7457 0.000000       0.000000 5931.990       478.7457 ?        ?        445.6970 18.35460 0.000000       18.35460 
1 1 1 -16 23 4  o 174.5887 9.804742 900.8887       99.98951 0.000000       0.000000 900.8887       99.98951 ?        ?        174.5887 9.804742 0.000000       9.804742 
1 1 1 -16 23 5  o 346.5670 8.868509 3538.142       180.1073 0.000000       0.000000 3538.142       180.1073 ?        ?        346.5670 8.868509 0.000000       8.868509 
1 1 1 -16 23 6  o 153.5499 11.26205 699.4243       100.7132 0.000000       0.000000 699.4243       100.7132 ?        ?        153.5499 11.26205 0.000000       11.26205 
1 1 1 -16 23 7  o 161.6089 20.86776 794.5367       193.1720 0.000000       0.000000 794.5367       193.1720 ?        ?        161.6089 20.86776 0.000000       20.86776 
1 1 1 -16 23 8  o 189.9613 17.45849 1082.899       192.3276 0.000000       0.000000 1082.899       192.3276 ?        ?        189.9613 17.45849 0.000000       17.45849 
1 1 1 -16 23 9  o 62.64895 21.89330 105.7958       99.03375 0.000000       0.000000 105.7958       99.03375 ?        ?        62.64895 21.89330 0.000000       21.89330 
1 1 1 -16 23 10 o 27.25807 13.68200 -280.4856      95.68465 0.000000       0.000000 -280.4856      95.68465 ?        ?        27.25807 13.68200 0.000000       13.68200 
1 1 1 -16 23 11 o 178.1942 10.84013 940.0098       112.7506 0.000000       0.000000 940.0098       112.7506 ?        ?        178.1942 10.84013 0.000000       10.84013 
1 1 1 -16 23 12 o 321.1354 8.498523 3037.227       159.9191 0.000000       0.000000 3037.227       159.9191 ?        ?        321.1354 8.498523 0.000000       8.498523 
1 1 1 -16 23 13 o 436.1931 9.365492 5604.508       239.5851 0.000000       0.000000 5604.508       239.5851 ?        ?        436.1931 9.365492 0.000000       9.365492 
1 1 1 -16 23 14 f 397.7758 9.032331 4659.711       210.7117 0.000000       0.000000 4659.711       210.7117 ?        ?        397.7758 9.032331 0.000000       9.032331 
1 1 1 -16 23 15 o 364.3165 8.830411 3908.642       188.6732 0.000000       0.000000 3908.642       188.6732 ?        ?        364.3165 8.830411 0.000000       8.830411 
1 1 1 -16 23 16 o 210.3313 10.30991 1308.243       126.7898 0.000000       0.000000 1308.243       126.7898 ?        ?        210.3313 10.30991 0.000000       10.30991 
1 1 1 -16 23 17 o 205.7429 10.48192 1252.742       126.0616 0.000000       0.000000 1252.742       126.0616 ?        ?        205.7429 10.48192 0.000000       10.48192 
1 1 1 -16 23 18 o 343.7547 8.730778 3484.273       175.8735 0.000000       0.000000 3484.273       175.8735 ?        ?        343.7547 8.730778 0.000000       8.730778 
1 1 1 -16 23 19 f 447.8695 9.457898 5918.286       248.4258 0.000000       0.000000 5918.286       248.4258 ?        ?        447.8695 9.457898 0.000000       9.457898 
1 1 1 -16 23 20 o 98.53637 19.20492 301.8941       106.9939 0.000000       0.000000 301.8941       106.9939 ?        ?        98.53637 19.20492 0.000000       19.20492 
1 1 1 -16 23 21 o 384.2549 9.080089 4358.201       204.6256 0.000000       0.000000 4358.201       204.6256 ?        ?        384.2549 9.080089 0.000000       9.080089 
1 1 1 -16 23 22 o 151.9957 13.06002 692.0508       115.2919 0.000000       0.000000 692.0508       115.2919 ?        ?        151.9957 13.06002 0.000000       13.06002 
1 1 1 -16 23 23 f 322.8292 9.006916 3080.521       170.3628 0.000000       0.000000 3080.521       170.3628 ?        ?        322.8292 9.006916 0.000000       9.006916 
1 1 1 -16 23 24 f 177.9895 11.35472 944.0467       117.9100 0.000000       0.000000 944.0467       117.9100 ?        ?        177.9895 11.35472 0.000000       11.35472 
1 1 1 -16 23 25 o 226.6180 9.679746 1523.402       128.3534 2170.449       564.4553 1488.120       131.8063 250.5309 39.74167 223.8696 10.06474 26.66130       40.99633 
1 1 1 -16 23 26 o 151.2061 12.66654 687.4113       111.2941 553.4859       526.5977 693.6730       113.8661 126.3143 49.26360 151.8256 12.91022 -25.51131      50.92716 
1 1 1 -16 23 27 o 49.07519 20.44940 24.05800       97.62609 -412.2997      497.6797 41.52089       99.56041 79.24992 37.89757 51.74963 21.00659 27.50029       43.33015 
1 1 1 -16 23 28 o 179.0271 10.40139 958.5907       108.7393 1408.973       485.6021 934.8149       111.5726 189.7480 44.42477 176.6436 10.82177 13.10448       45.72385 
1 1 1 -16 23 29 o 159.1248 13.65326 771.8666       126.1858 2156.576       470.0606 664.3307       130.9940 247.2457 33.25997 146.7580 15.45100 100.4876       36.67368 
1 1 1 -16 23 30 o 205.6402 9.749438 1265.517       117.2464 0.000000       0.000000 1265.517       117.2464 ?        ?        205.6402 9.749438 0.000000       9.749438 
1 1 1 -16 23 31 o 94.36262 17.91991 286.1815       95.54580 1143.905       434.0052 242.4941       97.94885 163.1628 44.24785 85.93685 19.83631 77.22594       48.49073 
1 1 1 -16 23 32 o 44.75407 19.55992 -4.441165      97.29295 75.63612       476.2686 -7.928398      99.38885 87.98425 40.41632 44.82647 19.67565 43.15777       44.95120 
1 1 1 -16 23 33 o 50.16586 20.86701 36.66601       101.3953 -138.5694      476.4418 44.97918       103.7726 78.95038 37.56611 51.62382 21.25739 27.32656       43.16352 
1 1 1 -16 23 34 o 113.4686 15.62620 408.4301       101.2289 568.3918       431.9223 399.1330       104.1291 108.1056 43.80095 111.7511 16.37363 -3.645561      46.76130 
1 1 1 -16 23 35 o 61.94654 22.02072 121.0922       100.5120 340.7896       486.7600 111.3074       102.7259 94.13608 42.29048 60.50510 22.16060 33.63098       47.74491 
1 1 1 -16 23 36 o 180.9612 11.11670 1000.368       117.4115 140.7233       521.6576 1046.240       120.5034 85.65464 40.32110 185.0515 11.15521 -99.39681      41.83575 
1 1 1 -16 23 37 o 129.2427 15.79787 536.0446       117.2581 782.0934       466.7881 519.4725       121.1426 113.5465 45.70209 126.5675 16.72942 -13.02100      48.66779 
1 1 1 -16 23 38 f 92.66196 20.74270 298.1616       109.9094 447.7230       485.3746 290.0782       112.8405 93.15745 42.00749 90.83858 21.51453 2.318871       47.19645 
1 1 1 -16 23 39 o 112.7006 18.19253 424.4660       116.1518 268.2332       462.3160 434.9920       120.0008 84.53142 39.18095 113.7895 18.62552 -29.25813      43.38268 
1 1 1 -16 23 40 o 66.17441 24.21062 152.3307       122.5597 62.83989       379.5598 162.7475       129.4964 73.26906 34.46053 67.85163 24.87629 5.417427       42.50127 
1 1 1 -16 23 41 o 53.52738 24.01830 7.747379       156.4855 462.0670       371.9495 -89.96367      172.4944 91.93024 39.19095 49.24887 23.18425 42.68137       45.53505 
1 1 1 -16 24 1  o 300.8936 8.547463 2666.497       150.6816 2425.594       427.8028 2700.616       160.9990 281.8333 26.18155 302.7299 9.078382 -20.89658      27.71084 
1 1 1 -16 24 2  o 172.0810 10.62259 876.4016       106.6821 0.000000       0.000000 876.4016       106.6821 ?        ?        172.0810 10.62259 0.000000       10.62259 
1 1 1 -16 24 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 24 4  o 172.8927 24.23850 917.6953       239.0303 0.000000       0.000000 917.6953       239.0303 ?        ?        172.8927 24.23850 0.000000       24.23850 
1 1 1 -16 24 5  o 327.7090 9.001042 3164.133       172.8304 0.000000       0.000000 3164.133       172.8304 ?        ?        327.7090 9.001042 0.000000       9.001042 
1 1 1 -16 24 6  o 417.3159 9.276860 5128.575       227.0473 0.000000       0.000000 5128.575       227.0473 ?        ?        417.3159 9.276860 0.000000       9.276860 
1 1 1 -16 24 7  o 26.51304 13.43648 -377.7386      105.7700 0.000000       0.000000 -377.7386      105.7700 ?        ?        26.51304 13.43648 0.000000       13.43648 
1 1 1 -16 24 8  o 211.3437 10.48424 1320.130       129.5444 0.000000       0.000000 1320.130       129.5444 ?        ?        211.3437 10.48424 0.000000       10.48424 
1 1 1 -16 24 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 24 10 o 276.6310 8.840110 2255.187       143.2356 0.000000       0.000000 2255.187       143.2356 ?        ?        276.6310 8.840110 0.000000       8.840110 
1 1 1 -16 24 11 f 254.2628 8.969504 1906.001       133.5430 0.000000       0.000000 1906.001       133.5430 ?        ?        254.2628 8.969504 0.000000       8.969504 
1 1 1 -16 24 12 o 176.5584 10.55093 922.7142       108.7537 0.000000       0.000000 922.7142       108.7537 ?        ?        176.5584 10.55093 0.000000       10.55093 
1 1 1 -16 24 13 o 100.3527 16.95412 307.8014       96.23170 0.000000       0.000000 307.8014       96.23170 ?        ?        100.3527 16.95412 0.000000       16.95412 
1 1 1 -16 24 14 o 196.4739 9.722489 1140.813       111.6816 0.000000       0.000000 1140.813       111.6816 ?        ?        196.4739 9.722489 0.000000       9.722489 
1 1 1 -16 24 15 o 170.4656 10.96739 861.7446       109.0637 0.000000       0.000000 861.7446       109.0637 ?        ?        170.4656 10.96739 0.000000       10.96739 
1 1 1 -16 24 16 o 133.5661 14.16317 535.4522       109.2560 0.000000       0.000000 535.4522       109.2560 ?        ?        133.5661 14.16317 0.000000       14.16317 
1 1 1 -16 24 17 o 242.5502 9.889544 1739.272       140.3837 0.000000       0.000000 1739.272       140.3837 ?        ?        242.5502 9.889544 0.000000       9.889544 
1 1 1 -16 24 18 o 126.6542 15.08632 484.5331       109.8606 0.000000       0.000000 484.5331       109.8606 ?        ?        126.6542 15.08632 0.000000       15.08632 
1 1 1 -16 24 19 o 284.1895 9.101400 2385.868       151.4978 0.000000       0.000000 2385.868       151.4978 ?        ?        284.1895 9.101400 0.000000       9.101400 
1 1 1 -16 24 20 o 196.7396 10.36653 1148.068       119.1902 0.000000       0.000000 1148.068       119.1902 ?        ?        196.7396 10.36653 0.000000       10.36653 
1 1 1 -16 24 21 f 151.7454 12.81741 689.4222       113.0030 0.000000       0.000000 689.4222       113.0030 ?        ?        151.7454 12.81741 0.000000       12.81741 
1 1 1 -16 24 22 o 118.5670 16.54596 429.8920       111.9260 0.000000       0.000000 429.8920       111.9260 ?        ?        118.5670 16.54596 0.000000       16.54596 
1 1 1 -16 24 23 f 170.9570 12.37356 874.0939       123.2205 0.000000       0.000000 874.0939       123.2205 ?        ?        170.9570 12.37356 0.000000       12.37356 
1 1 1 -16 24 24 o 171.0358 12.17425 875.5490       121.3197 0.000000       0.000000 875.5490       121.3197 ?        ?        171.0358 12.17425 0.000000       12.17425 
1 1 1 -16 24 25 o 208.6199 10.56083 1296.202       128.7921 0.000000       0.000000 1296.202       128.7921 ?        ?        208.6199 10.56083 0.000000       10.56083 
1 1 1 -16 24 26 o 37.09417 17.61812 -118.9143      103.8484 0.000000       0.000000 -118.9143      103.8484 ?        ?        37.09417 17.61812 0.000000       17.61812 
1 1 1 -16 24 27 o 71.38000 21.15255 163.2341       94.85546 273.4040       497.3992 159.0762       96.62881 104.2257 44.89250 70.61499 21.44761 33.61071       49.75275 
1 1 1 -16 24 28 o 129.8377 13.11759 513.9866       98.51772 655.3447       465.9971 507.3730       100.7960 124.5582 46.89612 128.8319 13.54269 -4.273705      48.81240 
1 1 1 -16 24 29 o 282.5770 8.277325 2374.450       137.0279 2587.319       510.8604 2357.948       142.2403 269.2136 33.04852 281.4237 8.628294 -12.21005      34.15628 
1 1 1 -16 24 30 o 112.3726 16.32238 397.5219       104.4271 0.000000       0.000000 397.5219       104.4271 ?        ?        112.3726 16.32238 0.000000       16.32238 
1 1 1 -16 24 31 o 163.4059 11.71173 810.7434       111.4935 1436.682       491.0586 776.7222       114.4834 179.1400 46.37996 159.6327 12.32377 19.50737       47.98933 
1 1 1 -16 24 32 o 48.41545 20.68503 17.87752       104.0177 -88.82130      491.9326 22.87129       106.4240 81.58423 38.63071 49.43410 21.01506 32.15012       43.97686 
1 1 1 -16 24 33 o 74.53164 22.13350 189.5978       103.7687 229.1431       457.0015 187.4481       106.5519 90.17097 40.70181 74.07654 22.52666 16.09443       46.51976 
1 1 1 -16 24 34 o 64.98806 22.18628 138.2898       101.4724 707.1766       481.9973 111.9070       103.7987 113.6303 46.18549 60.74006 22.27123 52.89029       51.27482 
1 1 1 -16 24 35 o 43.28442 19.29043 -15.65034      99.12505 77.03962       439.5358 -20.61718      101.7462 80.90239 37.73652 43.34043 19.41335 37.56196       42.43729 
1 1 1 -16 24 36 o 81.68512 22.32937 235.7548       110.0109 -593.1978      471.3757 283.5067       113.1351 63.78334 31.76250 90.09836 21.67564 -26.31502      38.45374 
1 1 1 -16 24 37 o 47.68800 20.85285 10.32203       110.7038 -12.24883      467.2390 11.66445       113.9483 76.44037 36.59877 48.37535 21.15475 28.06501       42.27285 
1 1 1 -16 24 38 o 60.37841 22.98042 112.8115       112.6148 -24.91667      452.2675 121.9153       116.2771 74.73244 35.84116 61.94040 23.40254 12.79205       42.80499 
1 1 1 -16 24 39 o 121.2673 19.71982 502.9051       135.4341 170.3261       391.1857 548.1985       144.3621 78.09866 36.14404 126.2947 20.16830 -48.19604      41.39024 
1 1 1 -16 24 40 o 98.56796 24.40948 362.7859       140.3583 600.9208       375.4529 324.0988       151.3306 101.2435 40.90345 90.98383 26.65325 10.25964       48.82098 
1 1 1 -16 25 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 25 2  o 412.9798 14.36044 5057.617       347.2848 4807.640       539.9929 5233.941       453.5174 399.0788 23.17132 418.5905 18.51955 -19.51178      29.66283 
1 1 1 -16 25 3  o 246.0663 9.643971 1786.334       138.9047 0.000000       0.000000 1786.334       138.9047 ?        ?        246.0663 9.643971 0.000000       9.643971 
1 1 1 -16 25 4  o 209.3676 10.10190 1294.852       123.6743 0.000000       0.000000 1294.852       123.6743 ?        ?        209.3676 10.10190 0.000000       10.10190 
1 1 1 -16 25 5  o 184.9111 11.41080 1012.918       123.1427 0.000000       0.000000 1012.918       123.1427 ?        ?        184.9111 11.41080 0.000000       11.41080 
1 1 1 -16 25 6  o 203.8370 12.26429 1231.965       145.9361 0.000000       0.000000 1231.965       145.9361 ?        ?        203.8370 12.26429 0.000000       12.26429 
1 1 1 -16 25 7  o 256.2290 40.22193 2120.500       584.5387 0.000000       0.000000 2120.500       584.5387 ?        ?        256.2290 40.22193 0.000000       40.22193 
1 1 1 -16 25 8  o 224.5779 9.819757 1489.115       129.0230 0.000000       0.000000 1489.115       129.0230 ?        ?        224.5779 9.819757 0.000000       9.819757 
1 1 1 -16 25 9  f 387.8141 8.928023 4428.833       203.0624 0.000000       0.000000 4428.833       203.0624 ?        ?        387.8141 8.928023 0.000000       8.928023 
1 1 1 -16 25 10 o 256.9769 8.706326 1946.604       131.0243 0.000000       0.000000 1946.604       131.0243 ?        ?        256.9769 8.706326 0.000000       8.706326 
1 1 1 -16 25 11 o 380.6762 13.39571 4297.124       298.6031 0.000000       0.000000 4297.124       298.6031 ?        ?        380.6762 13.39571 0.000000       13.39571 
1 1 1 -16 25 12 o 194.5341 10.02868 1119.127       114.0307 0.000000       0.000000 1119.127       114.0307 ?        ?        194.5341 10.02868 0.000000       10.02868 
1 1 1 -16 25 13 o 208.7280 9.599634 1287.368       117.1983 0.000000       0.000000 1287.368       117.1983 ?        ?        208.7280 9.599634 0.000000       9.599634 
1 1 1 -16 25 14 o 241.0410 8.980333 1714.762       126.7284 0.000000       0.000000 1714.762       126.7284 ?        ?        241.0410 8.980333 0.000000       8.980333 
1 1 1 -16 25 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 25 16 o 308.1458 8.788778 2802.039       158.6688 0.000000       0.000000 2802.039       158.6688 ?        ?        308.1458 8.788778 0.000000       8.788778 
1 1 1 -16 25 17 o 305.3535 9.415904 2755.175       168.4210 0.000000       0.000000 2755.175       168.4210 ?        ?        305.3535 9.415904 0.000000       9.415904 
1 1 1 -16 25 18 o 256.9465 9.252419 1951.717       139.1999 0.000000       0.000000 1951.717       139.1999 ?        ?        256.9465 9.252419 0.000000       9.252419 
1 1 1 -16 25 19 o 151.0423 12.11037 681.3958       106.3787 0.000000       0.000000 681.3958       106.3787 ?        ?        151.0423 12.11037 0.000000       12.11037 
1 1 1 -16 25 20 o 164.4915 12.07779 807.7369       115.7026 0.000000       0.000000 807.7369       115.7026 ?        ?        164.4915 12.07779 0.000000       12.07779 
1 1 1 -16 25 21 o 54.79623 22.18036 45.13205       110.6370 0.000000       0.000000 45.13205       110.6370 ?        ?        54.79623 22.18036 0.000000       22.18036 
1 1 1 -16 25 22 o 176.7165 12.42559 934.2682       127.9581 0.000000       0.000000 934.2682       127.9581 ?        ?        176.7165 12.42559 0.000000       12.42559 
1 1 1 -16 25 23 f 42.48021 19.48393 -69.87164      110.1115 0.000000       0.000000 -69.87164      110.1115 ?        ?        42.48021 19.48393 0.000000       19.48393 
1 1 1 -16 25 24 o 156.1806 12.45631 733.0830       113.1503 0.000000       0.000000 733.0830       113.1503 ?        ?        156.1806 12.45631 0.000000       12.45631 
1 1 1 -16 25 25 o 61.77591 22.23041 105.7331       102.7608 0.000000       0.000000 105.7331       102.7608 ?        ?        61.77591 22.23041 0.000000       22.23041 
1 1 1 -16 25 26 o 160.4042 12.02416 775.7629       112.2920 0.000000       0.000000 775.7629       112.2920 ?        ?        160.4042 12.02416 0.000000       12.02416 
1 1 1 -16 25 27 o 61.13345 21.95262 106.9270       100.1481 0.000000       0.000000 106.9270       100.1481 ?        ?        61.13345 21.95262 0.000000       21.95262 
1 1 1 -16 25 28 o 171.5551 11.05067 886.8699       110.5927 0.000000       0.000000 886.8699       110.5927 ?        ?        171.5551 11.05067 0.000000       11.05067 
1 1 1 -16 25 29 o 105.4165 20.54058 363.9332       122.4243 1337.250       512.7563 305.0952       126.0703 170.0988 48.83783 95.23109 22.86264 74.86768       53.92433 
1 1 1 -16 25 30 o 63.72692 24.05785 113.8060       122.8227 0.000000       0.000000 113.8060       122.8227 ?        ?        63.72692 24.05785 0.000000       24.05785 
1 1 1 -16 25 31 o 103.5611 18.38119 348.0608       107.5515 618.1352       487.6490 334.2520       110.2668 112.9776 46.25264 100.9466 19.32893 12.03098       50.12897 
1 1 1 -16 25 32 o 227.2457 9.964725 1557.344       132.4812 1096.882       487.0111 1594.141       137.6730 143.2440 48.60995 229.7399 10.24366 -86.49593      49.67756 
1 1 1 -16 25 33 o 45.13232 20.07626 -14.86701      106.8494 0.000000       0.000000 -14.86701      106.8494 ?        ?        45.13232 20.07626 0.000000       20.07626 
1 1 1 -16 25 34 o 56.53957 22.30590 81.57259       109.0217 -317.3993      497.0566 101.7362       111.7427 72.38218 35.37571 59.66150 22.84629 12.72068       42.11168 
1 1 1 -16 25 35 o 55.14150 22.26100 71.63257       111.1122 932.2598       491.7172 25.32312       114.0624 122.1439 47.61354 50.10045 21.53761 72.04346       52.25818 
1 1 1 -16 25 36 o 56.35293 22.64802 80.23214       114.4494 418.1525       454.8689 57.39344       118.2537 92.54351 41.27817 54.02571 22.50883 38.51780       47.01632 
1 1 1 -16 25 37 o 61.83847 23.46921 120.4297       117.2510 564.5414       458.0146 89.28355       121.2928 98.45890 42.74299 58.01898 23.31610 40.43992       48.68885 
1 1 1 -16 25 38 o 60.37928 23.81545 108.5848       124.2523 249.0404       441.0667 96.47740       129.4969 82.63688 38.29139 59.32055 24.00200 23.31633       45.19211 
1 1 1 -16 25 39 o 56.63353 24.43124 55.41158       147.7587 -466.1141      385.4347 145.2603       159.9812 58.26591 28.96645 66.73619 26.79206 -8.470280      39.45720 
1 1 1 -16 25 40 o 36.63582 17.97287 -206.4041      132.0105 -244.3132      397.1358 -201.6951      139.9697 63.67490 31.22455 38.29919 18.72972 25.37571       36.41119 
1 1 1 -16 26 1  o 222.8793 11.48333 1470.335       149.5965 1335.098       462.0925 1486.168       158.1113 202.1876 40.38369 223.9684 12.08192 -21.78079      42.15228 
1 1 1 -16 26 2  o 254.0968 17.00659 1929.710       251.9760 1864.333       492.4532 1952.897       293.2752 242.2264 35.73730 254.7862 19.78165 -12.55980      40.84689 
1 1 1 -16 26 3  o 138.8273 15.15545 578.4204       121.3923 589.0328       479.4410 577.6934       125.4811 137.4778 48.16199 138.6213 15.71141 -1.143448      50.65991 
1 1 1 -16 26 4  o 245.5901 9.470510 1779.572       136.1507 0.000000       0.000000 1779.572       136.1507 ?        ?        245.5901 9.470510 0.000000       9.470510 
1 1 1 -16 26 5  o 175.3125 10.89690 910.3643       111.4844 0.000000       0.000000 910.3643       111.4844 ?        ?        175.3125 10.89690 0.000000       10.89690 
1 1 1 -16 26 6  o 197.5215 10.73475 1154.503       123.8858 0.000000       0.000000 1154.503       123.8858 ?        ?        197.5215 10.73475 0.000000       10.73475 
1 1 1 -16 26 7  o 31.88035 15.51661 -163.3414      92.85924 0.000000       0.000000 -163.3414      92.85924 ?        ?        31.88035 15.51661 0.000000       15.51661 
1 1 1 -16 26 8  o 161.7100 11.89645 777.0162       112.0351 0.000000       0.000000 777.0162       112.0351 ?        ?        161.7100 11.89645 0.000000       11.89645 
1 1 1 -16 26 9  o 281.5588 8.613151 2336.886       142.0596 0.000000       0.000000 2336.886       142.0596 ?        ?        281.5588 8.613151 0.000000       8.613151 
1 1 1 -16 26 10 o 133.3593 13.28802 532.0826       102.5467 0.000000       0.000000 532.0826       102.5467 ?        ?        133.3593 13.28802 0.000000       13.28802 
1 1 1 -16 26 11 o 180.4615 10.39910 964.5002       109.5943 0.000000       0.000000 964.5002       109.5943 ?        ?        180.4615 10.39910 0.000000       10.39910 
1 1 1 -16 26 12 o 54.87326 21.03118 63.55273       94.74807 0.000000       0.000000 63.55273       94.74807 ?        ?        54.87326 21.03118 0.000000       21.03118 
1 1 1 -16 26 13 o 215.4416 15.10821 1388.547       189.6843 0.000000       0.000000 1388.547       189.6843 ?        ?        215.4416 15.10821 0.000000       15.10821 
1 1 1 -16 26 14 o 166.6705 12.25529 827.6937       118.9558 0.000000       0.000000 827.6937       118.9558 ?        ?        166.6705 12.25529 0.000000       12.25529 
1 1 1 -16 26 15 o 119.8169 15.64296 435.5898       107.3004 0.000000       0.000000 435.5898       107.3004 ?        ?        119.8169 15.64296 0.000000       15.64296 
1 1 1 -16 26 16 o 176.3980 18.15485 945.2920       185.1391 0.000000       0.000000 945.2920       185.1391 ?        ?        176.3980 18.15485 0.000000       18.15485 
1 1 1 -16 26 17 o 83.81268 21.68067 221.8827       107.3669 0.000000       0.000000 221.8827       107.3669 ?        ?        83.81268 21.68067 0.000000       21.68067 
1 1 1 -16 26 18 o 336.8459 8.790391 3351.714       173.5077 0.000000       0.000000 3351.714       173.5077 ?        ?        336.8459 8.790391 0.000000       8.790391 
1 1 1 -16 26 19 o 57.34129 21.89088 73.41795       102.3868 0.000000       0.000000 73.41795       102.3868 ?        ?        57.34129 21.89088 0.000000       21.89088 
1 1 1 -16 26 20 o 294.0426 9.233167 2558.622       159.0277 0.000000       0.000000 2558.622       159.0277 ?        ?        294.0426 9.233167 0.000000       9.233167 
1 1 1 -16 26 21 o 206.7865 10.81810 1272.549       130.7407 0.000000       0.000000 1272.549       130.7407 ?        ?        206.7865 10.81810 0.000000       10.81810 
1 1 1 -16 26 22 o 94.78697 21.41554 287.1262       116.2335 0.000000       0.000000 287.1262       116.2335 ?        ?        94.78697 21.41554 0.000000       21.41554 
1 1 1 -16 26 23 o 56.96534 22.13697 70.36302       106.0294 0.000000       0.000000 70.36302       106.0294 ?        ?        56.96534 22.13697 0.000000       22.13697 
1 1 1 -16 26 24 o 52.03056 21.28411 39.59266       103.1602 0.000000       0.000000 39.59266       103.1602 ?        ?        52.03056 21.28411 0.000000       21.28411 
1 1 1 -16 26 25 o 103.5450 17.82204 338.5460       104.3240 0.000000       0.000000 338.5460       104.3240 ?        ?        103.5450 17.82204 0.000000       17.82204 
1 1 1 -16 26 26 o 40.63626 18.54393 -51.33302      98.08617 0.000000       0.000000 -51.33302      98.08617 ?        ?        40.63626 18.54393 0.000000       18.54393 
1 1 1 -16 26 27 o 39.47448 18.09686 -54.31553      94.84176 0.000000       0.000000 -54.31553      94.84176 ?        ?        39.47448 18.09686 0.000000       18.09686 
1 1 1 -16 26 28 o 122.1720 16.35579 468.9986       114.2494 0.000000       0.000000 468.9986       114.2494 ?        ?        122.1720 16.35579 0.000000       16.35579 
1 1 1 -16 26 29 f 115.8756 16.73634 425.2801       110.4457 0.000000       0.000000 425.2801       110.4457 ?        ?        115.8756 16.73634 0.000000       16.73634 
1 1 1 -16 26 30 o 124.1575 15.30299 483.7710       109.0741 305.7361       491.2782 493.0019       111.8660 96.59379 43.00338 125.2106 15.56907 -28.61684      45.73496 
1 1 1 -16 26 31 o 54.08308 22.05631 58.17862       110.3675 0.000000       0.000000 58.17862       110.3675 ?        ?        54.08308 22.05631 0.000000       22.05631 
1 1 1 -16 26 32 o 61.14335 22.80794 111.0486       109.6923 1110.791       507.3852 62.03087       112.3493 139.5884 49.49014 54.66343 22.26831 84.92502       54.26925 
1 1 1 -16 26 33 o 171.0011 12.54131 902.0594       124.8996 1254.470       580.8760 884.9764       127.8910 137.7928 52.25093 169.0593 12.99856 -31.26653      53.84349 
1 1 1 -16 26 34 o 66.17947 24.10918 144.2211       121.3440 -112.2505      529.6311 158.4295       124.6599 77.84513 37.69360 68.42641 24.50170 9.418716       44.95710 
1 1 1 -16 26 35 o 52.19686 22.26244 38.37461       120.1195 626.6089       491.6405 1.031305       123.8736 102.1976 44.32563 49.06950 21.73350 53.12809       49.36705 
1 1 1 -16 26 36 o 47.02436 21.10501 -14.32541      120.9002 796.4650       500.2095 -64.62917      124.5942 109.1222 45.93362 43.67878 20.27807 65.44341       50.21053 
1 1 1 -16 26 37 o 51.59603 22.24210 34.00536       122.2941 -188.2881      458.0745 51.06534       126.9001 69.79853 34.07997 53.99042 22.94976 15.80811       41.08693 
1 1 1 -16 26 38 o 56.40855 23.80840 67.16374       134.9660 443.9297       444.9417 28.98392       141.6395 90.08000 40.45355 53.51976 23.48995 36.56025       46.77892 
1 1 1 -16 26 39 o 75.89555 26.00994 221.3789       139.4922 150.3218       436.0643 229.4790       147.2283 77.37028 36.55630 76.80926 26.70350 0.5610199      45.27074 
1 1 1 -16 27 1  o 110.6342 17.70316 373.9327       110.9947 859.9648       469.1413 345.1137       114.2380 159.1293 47.01255 105.8605 19.10310 53.26883       50.74553 
1 1 1 -16 27 2  o 199.9331 12.09510 1186.210       141.1590 1190.672       499.5270 1185.823       147.1568 187.1802 45.86850 199.7952 12.62324 -12.61491      47.57379 
1 1 1 -16 27 3  o 131.4817 14.31475 518.7573       108.6023 1307.529       480.2876 476.2542       111.4899 197.9720 42.62810 125.6728 15.45155 72.29916       45.34209 
1 1 1 -16 27 4  o 316.9983 14.53173 2989.032       269.4437 2741.467       529.4733 3075.550       313.0039 296.2643 30.92791 320.8428 16.69179 -24.57846      35.14472 
1 1 1 -16 27 5  o 295.8824 9.225951 2582.601       159.9005 0.000000       0.000000 2582.601       159.9005 ?        ?        295.8824 9.225951 0.000000       9.225951 
1 1 1 -16 27 6  o 385.8915 11.35310 4404.309       256.6598 0.000000       0.000000 4404.309       256.6598 ?        ?        385.8915 11.35310 0.000000       11.35310 
1 1 1 -16 27 7  f 132.7212 13.51506 527.5322       103.7322 0.000000       0.000000 527.5322       103.7322 ?        ?        132.7212 13.51506 0.000000       13.51506 
1 1 1 -16 27 8  o 347.5882 8.974557 3563.095       182.7953 0.000000       0.000000 3563.095       182.7953 ?        ?        347.5882 8.974557 0.000000       8.974557 
1 1 1 -16 27 9  o 199.2448 10.28981 1175.160       119.8315 0.000000       0.000000 1175.160       119.8315 ?        ?        199.2448 10.28981 0.000000       10.28981 
1 1 1 -16 27 10 o 212.4731 9.515126 1334.519       118.2676 0.000000       0.000000 1334.519       118.2676 ?        ?        212.4731 9.515126 0.000000       9.515126 
1 1 1 -16 27 11 o 37.68781 17.59842 -88.87768      96.01308 0.000000       0.000000 -88.87768      96.01308 ?        ?        37.68781 17.59842 0.000000       17.59842 
1 1 1 -16 27 12 o 344.6768 9.290562 3508.502       187.6326 0.000000       0.000000 3508.502       187.6326 ?        ?        344.6768 9.290562 0.000000       9.290562 
1 1 1 -16 27 13 o 180.6917 11.33181 970.5311       119.4802 0.000000       0.000000 970.5311       119.4802 ?        ?        180.6917 11.33181 0.000000       11.33181 
1 1 1 -16 27 14 o 119.1253 15.78823 431.3039       107.5900 0.000000       0.000000 431.3039       107.5900 ?        ?        119.1253 15.78823 0.000000       15.78823 
1 1 1 -16 27 15 o 154.3768 13.24123 713.9787       118.7271 0.000000       0.000000 713.9787       118.7271 ?        ?        154.3768 13.24123 0.000000       13.24123 
1 1 1 -16 27 16 o 188.7208 11.44635 1059.909       126.0929 0.000000       0.000000 1059.909       126.0929 ?        ?        188.7208 11.44635 0.000000       11.44635 
1 1 1 -16 27 17 o 203.3818 10.52306 1228.156       125.0908 0.000000       0.000000 1228.156       125.0908 ?        ?        203.3818 10.52306 0.000000       10.52306 
1 1 1 -16 27 18 o 55.81556 22.47310 50.04374       112.9096 0.000000       0.000000 50.04374       112.9096 ?        ?        55.81556 22.47310 0.000000       22.47310 
1 1 1 -16 27 19 o 99.74043 19.98800 313.2097       112.8441 0.000000       0.000000 313.2097       112.8441 ?        ?        99.74043 19.98800 0.000000       19.98800 
1 1 1 -16 27 20 o 87.40037 20.56905 243.1147       103.6668 0.000000       0.000000 243.1147       103.6668 ?        ?        87.40037 20.56905 0.000000       20.56905 
1 1 1 -16 27 21 o 84.44688 21.93733 229.1684       109.6126 0.000000       0.000000 229.1684       109.6126 ?        ?        84.44688 21.93733 0.000000       21.93733 
1 1 1 -16 27 22 o 57.27870 22.66090 65.72264       112.8066 0.000000       0.000000 65.72264       112.8066 ?        ?        57.27870 22.66090 0.000000       22.66090 
1 1 1 -16 27 23 o 44.76884 19.69508 -16.18361      100.1043 0.000000       0.000000 -16.18361      100.1043 ?        ?        44.76884 19.69508 0.000000       19.69508 
1 1 1 -16 27 24 o 222.6911 9.831808 1480.821       128.0899 0.000000       0.000000 1480.821       128.0899 ?        ?        222.6911 9.831808 0.000000       9.831808 
1 1 1 -16 27 25 o 54.11642 21.53896 59.55945       102.4956 0.000000       0.000000 59.55945       102.4956 ?        ?        54.11642 21.53896 0.000000       21.53896 
1 1 1 -16 27 26 f 197.2900 10.35297 1168.832       119.3707 0.000000       0.000000 1168.832       119.3707 ?        ?        197.2900 10.35297 0.000000       10.35297 
1 1 1 -16 27 27 o 244.2376 9.270417 1783.669       132.5480 0.000000       0.000000 1783.669       132.5480 ?        ?        244.2376 9.270417 0.000000       9.270417 
1 1 1 -16 27 28 o 50.02858 21.11257 26.76129       106.1072 0.000000       0.000000 26.76129       106.1072 ?        ?        50.02858 21.11257 0.000000       21.11257 
1 1 1 -16 27 29 o 160.8112 14.95266 805.9069       139.4058 0.000000       0.000000 805.9069       139.4058 ?        ?        160.8112 14.95266 0.000000       14.95266 
1 1 1 -16 27 30 o 164.2504 12.80581 830.3013       122.3828 0.000000       0.000000 830.3013       122.3828 ?        ?        164.2504 12.80581 0.000000       12.80581 
1 1 1 -16 27 31 o 134.9531 15.59886 576.6115       121.1900 0.000000       0.000000 576.6115       121.1900 ?        ?        134.9531 15.59886 0.000000       15.59886 
1 1 1 -16 27 32 o 134.0477 16.61717 576.8747       127.8418 1978.731       569.4755 502.4774       131.1903 194.1798 49.77786 123.6409 18.67356 70.53889       53.16519 
1 1 1 -16 27 33 o 44.65458 20.44077 -45.94794      120.3912 611.6224       548.8722 -79.18348      123.3961 102.3247 45.51058 42.74780 19.95776 59.57687       49.69431 
1 1 1 -16 27 34 o 48.65022 21.63133 -3.776861      123.9007 110.4719       542.9206 -10.05391      127.2589 82.97661 39.65326 48.65102 21.75760 34.32559       45.23024 
1 1 1 -16 27 35 f 88.43849 24.81240 290.1555       133.8985 -61.06691      498.5515 317.4596       139.0058 75.93923 36.72252 92.40776 25.03378 -16.46853      44.44360 
1 1 1 -16 27 36 o 89.38140 24.00445 295.1686       128.4808 -480.2804      525.9531 344.3791       132.4948 67.17954 33.46940 97.17928 23.50630 -29.99973      40.89923 
1 1 1 -16 27 37 o 67.08608 25.08621 156.8480       132.8644 267.3235       453.0208 146.4510       138.9758 82.89856 38.54757 65.94646 25.42051 16.95210       46.17485 
1 1 1 -16 27 38 o 47.90302 21.85923 -27.98372      136.2771 -113.7034      454.0547 -19.49765      142.8635 70.36261 34.26107 49.54311 22.51966 20.81950       40.99946 
1 1 1 -16 28 1  f 235.8727 9.920012 1644.542       136.9209 2219.661       510.2196 1599.910       142.1344 264.0654 33.71325 232.5428 10.44856 31.52260       35.29527 
1 1 1 -16 28 2  o 165.1176 11.98418 810.9542       115.2620 1543.592       516.5023 772.5568       118.2438 214.5609 42.54932 161.0146 12.62252 53.54631       44.38212 
1 1 1 -16 28 3  o 211.5989 10.20019 1324.783       126.2092 1480.746       565.0504 1316.593       129.4804 206.8046 47.57875 210.8858 10.50207 -4.081177      48.72403 
1 1 1 -16 28 4  o 111.2892 16.87151 377.7872       106.6692 1054.248       524.8170 348.6379       108.9432 173.1663 49.30966 106.5216 18.08464 66.64467       52.52139 
1 1 1 -16 28 5  o 43.36932 19.40510 -40.35130      101.3610 -178.0453      537.7238 -35.27847      103.2112 95.92401 43.63631 44.31950 19.72208 51.60451       47.88620 
1 1 1 -16 28 6  o 206.3899 10.09722 1260.772       121.8487 0.000000       0.000000 1260.772       121.8487 ?        ?        206.3899 10.09722 0.000000       10.09722 
1 1 1 -16 28 7  o 196.4492 10.27402 1143.139       117.9585 0.000000       0.000000 1143.139       117.9585 ?        ?        196.4492 10.27402 0.000000       10.27402 
1 1 1 -16 28 8  o 197.2205 9.886363 1151.482       113.9862 0.000000       0.000000 1151.482       113.9862 ?        ?        197.2205 9.886363 0.000000       9.886363 
1 1 1 -16 28 9  o 349.8360 8.989645 3612.799       184.2882 0.000000       0.000000 3612.799       184.2882 ?        ?        349.8360 8.989645 0.000000       8.989645 
1 1 1 -16 28 10 o 93.23552 19.69339 271.7156       104.3033 0.000000       0.000000 271.7156       104.3033 ?        ?        93.23552 19.69339 0.000000       19.69339 
1 1 1 -16 28 11 o 136.9384 13.30287 562.5719       105.4922 0.000000       0.000000 562.5719       105.4922 ?        ?        136.9384 13.30287 0.000000       13.30287 
1 1 1 -16 28 12 o 195.3304 10.66588 1132.463       121.7211 0.000000       0.000000 1132.463       121.7211 ?        ?        195.3304 10.66588 0.000000       10.66588 
1 1 1 -16 28 13 o 83.73466 21.32619 221.4457       104.9995 0.000000       0.000000 221.4457       104.9995 ?        ?        83.73466 21.32619 0.000000       21.32619 
1 1 1 -16 28 14 o 266.3260 9.422451 2098.508       146.9411 0.000000       0.000000 2098.508       146.9411 ?        ?        266.3260 9.422451 0.000000       9.422451 
1 1 1 -16 28 15 o 312.4275 9.078218 2885.915       166.1650 0.000000       0.000000 2885.915       166.1650 ?        ?        312.4275 9.078218 0.000000       9.078218 
1 1 1 -16 28 16 o 253.4480 10.43735 1906.144       154.8101 0.000000       0.000000 1906.144       154.8101 ?        ?        253.4480 10.43735 0.000000       10.43735 
1 1 1 -16 28 17 o 158.8202 14.62624 761.5430       134.7060 0.000000       0.000000 761.5430       134.7060 ?        ?        158.8202 14.62624 0.000000       14.62624 
1 1 1 -16 28 18 o 168.0940 17.67676 864.8651       171.6581 0.000000       0.000000 864.8651       171.6581 ?        ?        168.0940 17.67676 0.000000       17.67676 
1 1 1 -16 28 19 o 73.89635 23.11974 170.6230       111.2889 0.000000       0.000000 170.6230       111.2889 ?        ?        73.89635 23.11974 0.000000       23.11974 
1 1 1 -16 28 20 o 141.5583 13.85199 607.4902       113.5298 0.000000       0.000000 607.4902       113.5298 ?        ?        141.5583 13.85199 0.000000       13.85199 
1 1 1 -16 28 21 o 52.61299 21.55615 40.00916       106.0220 0.000000       0.000000 40.00916       106.0220 ?        ?        52.61299 21.55615 0.000000       21.55615 
1 1 1 -16 28 22 o 53.62399 21.28158 57.06878       99.78396 0.000000       0.000000 57.06878       99.78396 ?        ?        53.62399 21.28158 0.000000       21.28158 
1 1 1 -16 28 23 o 73.65003 22.29250 176.3166       104.5161 0.000000       0.000000 176.3166       104.5161 ?        ?        73.65003 22.29250 0.000000       22.29250 
1 1 1 -16 28 24 o 139.8308 13.54803 598.3203       109.7135 0.000000       0.000000 598.3203       109.7135 ?        ?        139.8308 13.54803 0.000000       13.54803 
1 1 1 -16 28 25 o 126.5376 14.64595 495.6878       106.6851 0.000000       0.000000 495.6878       106.6851 ?        ?        126.5376 14.64595 0.000000       14.64595 
1 1 1 -16 28 26 o 55.56476 21.95827 69.12726       105.8112 0.000000       0.000000 69.12726       105.8112 ?        ?        55.56476 21.95827 0.000000       21.95827 
1 1 1 -16 28 27 o 217.5064 10.11379 1423.067       128.6607 0.000000       0.000000 1423.067       128.6607 ?        ?        217.5064 10.11379 0.000000       10.11379 
1 1 1 -16 28 28 o 186.5759 11.56561 1058.774       125.9314 0.000000       0.000000 1058.774       125.9314 ?        ?        186.5759 11.56561 0.000000       11.56561 
1 1 1 -16 28 29 o 70.35899 24.78298 163.6841       127.0690 0.000000       0.000000 163.6841       127.0690 ?        ?        70.35899 24.78298 0.000000       24.78298 
1 1 1 -16 28 30 o 186.7018 11.58974 1064.835       126.2775 0.000000       0.000000 1064.835       126.2775 ?        ?        186.7018 11.58974 0.000000       11.58974 
1 1 1 -16 28 31 o 42.85290 19.85146 -66.81886      118.4282 0.000000       0.000000 -66.81886      118.4282 ?        ?        42.85290 19.85146 0.000000       19.85146 
1 1 1 -16 28 32 o 48.42115 21.68562 -14.66964      126.9023 0.000000       0.000000 -14.66964      126.9023 ?        ?        48.42115 21.68562 0.000000       21.68562 
1 1 1 -16 28 33 o 72.64764 25.01891 188.5360       129.1111 0.000000       0.000000 188.5360       129.1111 ?        ?        72.64764 25.01891 0.000000       25.01891 
1 1 1 -16 28 34 o 134.0888 17.76745 592.9417       136.2877 0.000000       0.000000 592.9417       136.2877 ?        ?        134.0888 17.76745 0.000000       17.76745 
1 1 1 -16 28 35 o 83.14706 25.12076 260.2234       132.8046 -239.7057      541.7522 292.1866       136.9843 72.55449 35.75391 88.00744 25.23470 -15.45295      43.76223 
1 1 1 -16 28 36 o 85.91048 25.04643 279.9821       133.9154 52.33566       473.1748 299.8036       139.6238 76.31805 36.61703 88.56779 25.50210 -12.24974      44.62246 
1 1 1 -16 28 37 o 179.6068 13.93813 1024.228       145.6691 585.4975       507.2425 1063.663       152.0750 94.33647 42.70261 182.6758 14.30881 -88.33934      45.03615 
1 1 1 -16 29 1  o 233.6047 10.28615 1615.725       140.5784 1777.465       477.8929 1600.403       147.0862 233.3448 36.08378 232.3732 10.82256 0.9715881      37.67183 
1 1 1 -16 29 2  o 269.7436 9.335700 2149.897       147.4665 3061.446       523.6821 2071.390       153.6857 312.5341 28.89777 264.6373 9.919763 47.89673       30.55295 
1 1 1 -16 29 3  o 279.5577 15.51920 2339.531       253.4449 3323.796       546.6702 2070.051       286.0435 325.6502 28.92414 261.6700 18.76377 63.98026       34.47731 
1 1 1 -16 29 4  o 245.4592 16.50924 1810.508       236.2782 3224.427       575.5646 1523.937       259.1186 318.9889 31.16278 223.8418 19.94691 95.14713       36.99997 
1 1 1 -16 29 5  o 391.9019 25.74588 4747.758       588.4691 4747.758       588.4691 0.000000       0.000000 391.9019 25.74588 ?        ?        0.000000       25.74588 
1 1 1 -16 29 6  o 100.5332 18.68260 313.3662       106.0996 1047.822       536.2401 283.4423       108.2394 169.9556 50.27542 95.18017 20.02580 74.77538       54.11701 
1 1 1 -16 29 7  o 226.4588 9.595164 1517.384       127.1472 0.000000       0.000000 1517.384       127.1472 ?        ?        226.4588 9.595164 0.000000       9.595164 
1 1 1 -16 29 8  o 78.97295 21.23374 195.9975       100.4617 0.000000       0.000000 195.9975       100.4617 ?        ?        78.97295 21.23374 0.000000       21.23374 
1 1 1 -16 29 9  o 271.5428 9.063663 2179.183       144.1396 0.000000       0.000000 2179.183       144.1396 ?        ?        271.5428 9.063663 0.000000       9.063663 
1 1 1 -16 29 10 o 203.8959 10.10201 1232.492       120.4238 0.000000       0.000000 1232.492       120.4238 ?        ?        203.8959 10.10201 0.000000       10.10201 
1 1 1 -16 29 11 o 141.8530 13.81049 605.1086       113.4413 0.000000       0.000000 605.1086       113.4413 ?        ?        141.8530 13.81049 0.000000       13.81049 
1 1 1 -16 29 12 o 269.4451 9.379279 2148.057       147.9883 0.000000       0.000000 2148.057       147.9883 ?        ?        269.4451 9.379279 0.000000       9.379279 
1 1 1 -16 29 13 f 273.7483 9.421400 2217.934       151.0322 0.000000       0.000000 2217.934       151.0322 ?        ?        273.7483 9.421400 0.000000       9.421400 
1 1 1 -16 29 14 o 59.37192 22.46727 82.50536       107.2664 0.000000       0.000000 82.50536       107.2664 ?        ?        59.37192 22.46727 0.000000       22.46727 
1 1 1 -16 29 15 o 171.4975 13.14910 882.5331       131.2439 0.000000       0.000000 882.5331       131.2439 ?        ?        171.4975 13.14910 0.000000       13.14910 
1 1 1 -16 29 16 o 166.1420 13.19773 829.6154       127.5405 0.000000       0.000000 829.6154       127.5405 ?        ?        166.1420 13.19773 0.000000       13.19773 
1 1 1 -16 29 17 o 229.1261 10.07587 1560.549       135.0655 0.000000       0.000000 1560.549       135.0655 ?        ?        229.1261 10.07587 0.000000       10.07587 
1 1 1 -16 29 18 o 89.55643 21.25917 257.9013       109.9786 0.000000       0.000000 257.9013       109.9786 ?        ?        89.55643 21.25917 0.000000       21.25917 
1 1 1 -16 29 19 o 131.6341 14.58318 529.1813       110.6963 0.000000       0.000000 529.1813       110.6963 ?        ?        131.6341 14.58318 0.000000       14.58318 
1 1 1 -16 29 20 o 65.32588 30.91089 -245.3207      313.9345 0.000000       0.000000 -245.3207      313.9345 ?        ?        65.32588 30.91089 0.000000       30.91089 
1 1 1 -16 29 21 o 89.58052 20.48305 260.9696       105.2634 0.000000       0.000000 260.9696       105.2634 ?        ?        89.58052 20.48305 0.000000       20.48305 
1 1 1 -16 29 22 o 79.09743 22.19545 206.5230       107.1339 0.000000       0.000000 206.5230       107.1339 ?        ?        79.09743 22.19545 0.000000       22.19545 
1 1 1 -16 29 23 o 247.1608 9.499465 1825.814       137.4422 0.000000       0.000000 1825.814       137.4422 ?        ?        247.1608 9.499465 0.000000       9.499465 
1 1 1 -16 29 24 o 70.82104 22.85110 163.3226       108.0153 0.000000       0.000000 163.3226       108.0153 ?        ?        70.82104 22.85110 0.000000       22.85110 
1 1 1 -16 29 25 o 233.8383 9.711406 1639.476       132.8929 0.000000       0.000000 1639.476       132.8929 ?        ?        233.8383 9.711406 0.000000       9.711406 
1 1 1 -16 29 26 o 124.5113 16.44398 490.3507       117.1461 0.000000       0.000000 490.3507       117.1461 ?        ?        124.5113 16.44398 0.000000       16.44398 
1 1 1 -16 29 27 o 115.7735 17.37653 430.6236       114.3455 0.000000       0.000000 430.6236       114.3455 ?        ?        115.7735 17.37653 0.000000       17.37653 
1 1 1 -16 29 28 o 75.35137 23.42602 195.7276       114.4505 0.000000       0.000000 195.7276       114.4505 ?        ?        75.35137 23.42602 0.000000       23.42602 
1 1 1 -16 29 29 f 68.49487 23.97807 155.8105       118.8242 0.000000       0.000000 155.8105       118.8242 ?        ?        68.49487 23.97807 0.000000       23.97807 
1 1 1 -16 29 30 o 70.64867 24.30433 171.0953       121.8306 0.000000       0.000000 171.0953       121.8306 ?        ?        70.64867 24.30433 0.000000       24.30433 
1 1 1 -16 29 31 o 58.35133 24.03545 76.99355       132.7254 0.000000       0.000000 76.99355       132.7254 ?        ?        58.35133 24.03545 0.000000       24.03545 
1 1 1 -16 29 32 o 53.79827 23.24950 34.50320       134.2794 0.000000       0.000000 34.50320       134.2794 ?        ?        53.79827 23.24950 0.000000       23.24950 
1 1 1 -16 29 33 o 52.97886 23.07620 27.68087       134.4343 0.000000       0.000000 27.68087       134.4343 ?        ?        52.97886 23.07620 0.000000       23.07620 
1 1 1 -16 29 34 o 67.65298 26.06981 154.7597       146.1321 0.000000       0.000000 154.7597       146.1321 ?        ?        67.65298 26.06981 0.000000       26.06981 
1 1 1 -16 29 35 o 175.8213 15.48704 996.6097       158.0641 0.000000       0.000000 996.6097       158.0641 ?        ?        175.8213 15.48704 0.000000       15.48704 
1 1 1 -16 29 36 o 139.2518 18.42591 652.0576       146.7911 0.000000       0.000000 652.0576       146.7911 ?        ?        139.2518 18.42591 0.000000       18.42591 
1 1 1 -16 30 1  o 75.26766 23.58786 173.3489       115.7922 624.0333       422.5193 136.7519       120.4018 135.0986 45.27657 69.57771 24.15078 65.52085       51.31499 
1 1 1 -16 30 2  o 118.3669 18.34492 431.1176       123.2313 -236.2370      450.6354 485.0567       128.1147 84.14551 38.88996 125.8394 17.86039 -41.69386      42.79512 
1 1 1 -16 30 3  o 273.8174 9.253800 2216.485       148.3909 2094.216       505.4549 2228.017       155.2312 253.1968 34.97161 274.4304 9.659932 -21.23357      36.28123 
1 1 1 -16 30 4  o 157.7640 12.81475 744.4130       117.5482 1302.750       502.1538 712.0439       120.9076 192.0188 45.32394 154.1036 13.51464 37.91512       47.29594 
1 1 1 -16 30 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 30 6  o 281.8466 9.132002 2348.262       150.7495 0.000000       0.000000 2348.262       150.7495 ?        ?        281.8466 9.132002 0.000000       9.132002 
1 1 1 -16 30 7  o 272.9255 8.841951 2201.229       141.3413 3416.295       547.8973 2114.603       146.2930 328.8917 28.69201 267.3751 9.343722 61.51657       30.17510 
1 1 1 -16 30 8  o 188.8839 10.76646 1060.130       118.7725 0.000000       0.000000 1060.130       118.7725 ?        ?        188.8839 10.76646 0.000000       10.76646 
1 1 1 -16 30 9  o 317.6674 9.168889 2983.862       170.6418 0.000000       0.000000 2983.862       170.6418 ?        ?        317.6674 9.168889 0.000000       9.168889 
1 1 1 -16 30 10 o 101.5106 18.55034 320.6015       106.3686 0.000000       0.000000 320.6015       106.3686 ?        ?        101.5106 18.55034 0.000000       18.55034 
1 1 1 -16 30 11 o 57.29742 22.23404 68.75405       106.8429 0.000000       0.000000 68.75405       106.8429 ?        ?        57.29742 22.23404 0.000000       22.23404 
1 1 1 -16 30 12 f 208.3485 10.59295 1290.511       129.0121 0.000000       0.000000 1290.511       129.0121 ?        ?        208.3485 10.59295 0.000000       10.59295 
1 1 1 -16 30 13 o 173.8525 12.08666 904.1223       122.4686 0.000000       0.000000 904.1223       122.4686 ?        ?        173.8525 12.08666 0.000000       12.08666 
1 1 1 -16 30 14 o 37.96363 17.93693 -112.5711      104.9752 0.000000       0.000000 -112.5711      104.9752 ?        ?        37.96363 17.93693 0.000000       17.93693 
1 1 1 -16 30 15 o 117.0042 17.63026 424.4269       117.2256 0.000000       0.000000 424.4269       117.2256 ?        ?        117.0042 17.63026 0.000000       17.63026 
1 1 1 -16 30 16 o 58.91062 22.31249 84.07334       105.8488 0.000000       0.000000 84.07334       105.8488 ?        ?        58.91062 22.31249 0.000000       22.31249 
1 1 1 -16 30 17 o 64.70217 22.76785 121.0602       107.2254 0.000000       0.000000 121.0602       107.2254 ?        ?        64.70217 22.76785 0.000000       22.76785 
1 1 1 -16 30 18 o 88.59645 22.16934 256.6696       114.9010 0.000000       0.000000 256.6696       114.9010 ?        ?        88.59645 22.16934 0.000000       22.16934 
1 1 1 -16 30 19 o 58.32894 22.34188 82.92520       106.8817 0.000000       0.000000 82.92520       106.8817 ?        ?        58.32894 22.34188 0.000000       22.34188 
1 1 1 -16 30 20 o 152.0225 12.73313 702.0511       112.4835 0.000000       0.000000 702.0511       112.4835 ?        ?        152.0225 12.73313 0.000000       12.73313 
1 1 1 -16 30 21 o 32.49661 15.85668 -168.6959      98.71024 0.000000       0.000000 -168.6959      98.71024 ?        ?        32.49661 15.85668 0.000000       15.85668 
1 1 1 -16 30 22 o 112.8858 40.21308 514.7760       335.3537 0.000000       0.000000 514.7760       335.3537 ?        ?        112.8858 40.21308 0.000000       40.21308 
1 1 1 -16 30 23 o 59.15279 22.60610 91.00423       109.2607 0.000000       0.000000 91.00423       109.2607 ?        ?        59.15279 22.60610 0.000000       22.60610 
1 1 1 -16 30 24 o 67.72177 23.06005 146.8419       109.6107 0.000000       0.000000 146.8419       109.6107 ?        ?        67.72177 23.06005 0.000000       23.06005 
1 1 1 -16 30 25 f 117.4400 17.81743 443.2407       118.8714 0.000000       0.000000 443.2407       118.8714 ?        ?        117.4400 17.81743 0.000000       17.81743 
1 1 1 -16 30 26 o 62.31760 23.19605 114.9578       113.3386 0.000000       0.000000 114.9578       113.3386 ?        ?        62.31760 23.19605 0.000000       23.19605 
1 1 1 -16 30 27 o 232.5878 10.55219 1638.256       143.5647 0.000000       0.000000 1638.256       143.5647 ?        ?        232.5878 10.55219 0.000000       10.55219 
1 1 1 -16 30 28 o 149.1387 14.32234 696.4745       123.7341 0.000000       0.000000 696.4745       123.7341 ?        ?        149.1387 14.32234 0.000000       14.32234 
1 1 1 -16 30 29 o 52.38218 23.25712 0.1909948E-01  142.7060 0.000000       0.000000 0.1909948E-01  142.7060 ?        ?        52.38218 23.25712 0.000000       23.25712 
1 1 1 -16 30 30 o 62.94119 24.29706 119.2329       127.0953 0.000000       0.000000 119.2329       127.0953 ?        ?        62.94119 24.29706 0.000000       24.29706 
1 1 1 -16 30 31 o 61.70755 24.28499 111.2024       128.9442 0.000000       0.000000 111.2024       128.9442 ?        ?        61.70755 24.28499 0.000000       24.28499 
1 1 1 -16 30 32 o 40.05254 19.15415 -128.2789      127.1636 0.000000       0.000000 -128.2789      127.1636 ?        ?        40.05254 19.15415 0.000000       19.15415 
1 1 1 -16 30 33 o 53.35738 23.40964 25.95066       140.5500 0.000000       0.000000 25.95066       140.5500 ?        ?        53.35738 23.40964 0.000000       23.40964 
1 1 1 -16 30 34 o 139.6073 20.26532 669.8420       161.0814 0.000000       0.000000 669.8420       161.0814 ?        ?        139.6073 20.26532 0.000000       20.26532 
1 1 1 -16 30 35 o 119.5837 22.01611 508.2266       148.7178 0.000000       0.000000 508.2266       148.7178 ?        ?        119.5837 22.01611 0.000000       22.01611 
1 1 1 -16 31 1  o 113.0353 25.59093 410.5247       165.6872 119.6705       378.7178 479.3723       184.2564 94.09726 39.80700 122.0141 26.50871 -27.91688      47.82582 
1 1 1 -16 31 2  o 39.97546 19.01192 -145.7262      121.7345 376.9063       420.6968 -193.4860      127.1751 114.2766 44.18078 38.49899 18.60016 75.77757       47.93649 
1 1 1 -16 31 3  o 153.8078 14.10184 711.7171       125.7908 825.3341       453.8034 702.2607       130.9210 151.0869 46.59268 152.5748 14.81744 -1.487991      48.89207 
1 1 1 -16 31 4  o 79.06004 24.07652 195.1979       121.6597 0.000000       0.000000 195.1979       121.6597 ?        ?        79.06004 24.07652 0.000000       24.07652 
1 1 1 -16 31 5  o 114.5777 17.63491 404.3760       114.7069 273.3684       466.5218 412.8058       118.3399 109.5345 45.08437 115.6688 18.03257 -6.134232      48.55692 
1 1 1 -16 31 6  o 177.1985 11.94243 937.2341       123.3842 735.2158       496.9963 950.5028       127.3717 142.3280 49.08368 178.3726 12.25009 -36.04463      50.58926 
1 1 1 -16 31 7  o 90.40437 21.30293 259.5921       111.0833 -8.415227      474.9159 275.1033       114.2526 94.82985 42.24568 93.07751 21.38069 1.752342       47.34798 
1 1 1 -16 31 8  o 216.9432 10.18438 1397.401       129.2163 2324.042       493.2141 1329.111       133.8931 266.7166 32.18044 211.3906 10.83611 55.32596       33.95588 
1 1 1 -16 31 9  o 175.8835 11.59210 923.5504       118.9076 0.000000       0.000000 923.5504       118.9076 ?        ?        175.8835 11.59210 0.000000       11.59210 
1 1 1 -16 31 10 o 271.4051 9.599502 2184.047       152.5572 0.000000       0.000000 2184.047       152.5572 ?        ?        271.4051 9.599502 0.000000       9.599502 
1 1 1 -16 31 11 o 45.68155 20.20195 -25.41150      106.6319 0.000000       0.000000 -25.41150      106.6319 ?        ?        45.68155 20.20195 0.000000       20.20195 
1 1 1 -16 31 12 o 169.1703 12.58235 859.3124       123.9411 0.000000       0.000000 859.3124       123.9411 ?        ?        169.1703 12.58235 0.000000       12.58235 
1 1 1 -16 31 13 o 50.41193 21.28933 17.03619       108.0148 0.000000       0.000000 17.03619       108.0148 ?        ?        50.41193 21.28933 0.000000       21.28933 
1 1 1 -16 31 14 f 139.0414 14.33924 588.4023       115.2535 0.000000       0.000000 588.4023       115.2535 ?        ?        139.0414 14.33924 0.000000       14.33924 
1 1 1 -16 31 15 o 83.45580 22.34449 226.8764       111.5353 0.000000       0.000000 226.8764       111.5353 ?        ?        83.45580 22.34449 0.000000       22.34449 
1 1 1 -16 31 16 o 286.3458 9.403588 2440.532       157.7050 0.000000       0.000000 2440.532       157.7050 ?        ?        286.3458 9.403588 0.000000       9.403588 
1 1 1 -16 31 17 o 60.07089 23.03012 88.90752       113.6377 0.000000       0.000000 88.90752       113.6377 ?        ?        60.07089 23.03012 0.000000       23.03012 
1 1 1 -16 31 18 o 212.0330 11.56853 1354.044       143.3124 0.000000       0.000000 1354.044       143.3124 ?        ?        212.0330 11.56853 0.000000       11.56853 
1 1 1 -16 31 19 o 129.5549 15.40198 520.6500       114.7377 0.000000       0.000000 520.6500       114.7377 ?        ?        129.5549 15.40198 0.000000       15.40198 
1 1 1 -16 31 20 o 100.1905 20.31988 328.0482       115.3091 0.000000       0.000000 328.0482       115.3091 ?        ?        100.1905 20.31988 0.000000       20.31988 
1 1 1 -16 31 21 o 63.07997 22.42319 119.3982       104.2192 0.000000       0.000000 119.3982       104.2192 ?        ?        63.07997 22.42319 0.000000       22.42319 
1 1 1 -16 31 22 o 41.22469 18.84773 -51.38224      101.9457 0.000000       0.000000 -51.38224      101.9457 ?        ?        41.22469 18.84773 0.000000       18.84773 
1 1 1 -16 31 23 o 54.16015 21.97985 57.33428       108.9695 0.000000       0.000000 57.33428       108.9695 ?        ?        54.16015 21.97985 0.000000       21.97985 
1 1 1 -16 31 24 o 102.5104 19.58879 346.6772       113.4756 0.000000       0.000000 346.6772       113.4756 ?        ?        102.5104 19.58879 0.000000       19.58879 
1 1 1 -16 31 25 o 92.41154 28.13606 314.6965       166.1572 0.000000       0.000000 314.6965       166.1572 ?        ?        92.41154 28.13606 0.000000       28.13606 
1 1 1 -16 31 26 o 113.6479 17.66058 419.0104       113.8905 0.000000       0.000000 419.0104       113.8905 ?        ?        113.6479 17.66058 0.000000       17.66058 
1 1 1 -16 31 27 o 52.61642 22.13079 42.23626       115.9696 0.000000       0.000000 42.23626       115.9696 ?        ?        52.61642 22.13079 0.000000       22.13079 
1 1 1 -16 31 28 o 69.88997 25.65340 164.2909       137.7766 0.000000       0.000000 164.2909       137.7766 ?        ?        69.88997 25.65340 0.000000       25.65340 
1 1 1 -16 31 29 f 46.86457 21.35630 -37.85252      129.5133 0.000000       0.000000 -37.85252      129.5133 ?        ?        46.86457 21.35630 0.000000       21.35630 
1 1 1 -16 31 30 o 49.93788 22.15424 1.842113       129.2355 0.000000       0.000000 1.842113       129.2355 ?        ?        49.93788 22.15424 0.000000       22.15424 
1 1 1 -16 31 31 o 55.19314 23.38626 54.90879       131.0608 0.000000       0.000000 54.90879       131.0608 ?        ?        55.19314 23.38626 0.000000       23.38626 
1 1 1 -16 31 32 o 41.94712 19.96246 -116.6566      134.6476 0.000000       0.000000 -116.6566      134.6476 ?        ?        41.94712 19.96246 0.000000       19.96246 
1 1 1 -16 31 33 o 66.30234 26.16442 145.0988       150.0373 0.000000       0.000000 145.0988       150.0373 ?        ?        66.30234 26.16442 0.000000       26.16442 
1 1 1 -16 31 34 o 61.65366 25.35435 107.3130       147.3761 0.000000       0.000000 107.3130       147.3761 ?        ?        61.65366 25.35435 0.000000       25.35435 
1 1 1 -16 32 1  o 113.3435 22.57366 408.6751       144.7803 0.000000       0.000000 408.6751       144.7803 ?        ?        113.3435 22.57366 0.000000       22.57366 
1 1 1 -16 32 2  o 235.0239 11.38940 1645.335       156.5195 903.1036       444.9479 1750.151       167.2062 156.1507 45.69135 242.2728 11.80338 -86.12207      47.19131 
1 1 1 -16 32 3  o 170.8659 14.45293 880.7232       143.4740 0.000000       0.000000 880.7232       143.4740 ?        ?        170.8659 14.45293 0.000000       14.45293 
1 1 1 -16 32 4  o 200.3519 18.50053 1229.187       214.9304 1146.792       454.6935 1252.894       243.8989 177.3096 43.94825 201.0929 20.98924 -23.78331      48.70315 
1 1 1 -16 32 5  o 119.4648 18.06289 441.8936       122.6073 1138.414       490.0646 395.3853       126.6345 173.8568 46.96397 112.2348 19.97066 61.62201       51.03373 
1 1 1 -16 32 6  o 197.6661 15.98975 1185.204       183.7825 822.0883       496.4679 1242.865       197.8368 146.4913 49.07881 202.0816 16.84591 -55.59030      51.88945 
1 1 1 -16 32 7  o 227.7453 9.610356 1539.617       128.0744 1216.987       490.9000 1563.182       132.6692 179.7000 46.29471 229.4046 9.884108 -49.70467      47.33810 
1 1 1 -16 32 8  o 46.83107 20.42798 -11.53016      105.6755 -330.8873      480.8858 4.674382       108.3233 81.24144 38.38649 49.16194 21.05882 32.07950       43.78352 
1 1 1 -16 32 9  o 77.61518 22.96657 192.2370       111.8890 -69.24902      437.6927 210.5195       115.7344 86.84426 39.45218 80.92274 23.19236 5.921524       45.76417 
1 1 1 -16 32 10 o 46.85481 20.58788 -17.32593      109.0827 -206.9787      430.4097 -4.308099      112.7644 80.16338 37.37548 48.98026 21.23624 31.18312       42.98726 
1 1 1 -16 32 11 o 109.4244 18.62385 376.6360       115.2408 0.000000       0.000000 376.6360       115.2408 ?        ?        109.4244 18.62385 0.000000       18.62385 
1 1 1 -16 32 12 o 68.66475 22.65736 145.4163       105.8990 0.000000       0.000000 145.4163       105.8990 ?        ?        68.66475 22.65736 0.000000       22.65736 
1 1 1 -16 32 13 o 218.3852 10.54068 1425.761       134.6040 0.000000       0.000000 1425.761       134.6040 ?        ?        218.3852 10.54068 0.000000       10.54068 
1 1 1 -16 32 14 o 62.05307 23.13369 102.7018       112.8154 0.000000       0.000000 102.7018       112.8154 ?        ?        62.05307 23.13369 0.000000       23.13369 
1 1 1 -16 32 15 o 217.7290 10.93668 1422.578       139.2065 0.000000       0.000000 1422.578       139.2065 ?        ?        217.7290 10.93668 0.000000       10.93668 
1 1 1 -16 32 16 o 166.5979 12.79566 842.8430       124.0639 0.000000       0.000000 842.8430       124.0639 ?        ?        166.5979 12.79566 0.000000       12.79566 
1 1 1 -16 32 17 o 131.6977 15.90539 539.8940       120.3641 0.000000       0.000000 539.8940       120.3641 ?        ?        131.6977 15.90539 0.000000       15.90539 
1 1 1 -16 32 18 o 53.03068 21.72449 46.63076       107.6670 0.000000       0.000000 46.63076       107.6670 ?        ?        53.03068 21.72449 0.000000       21.72449 
1 1 1 -16 32 19 f 60.71289 23.10436 97.72121       113.8225 0.000000       0.000000 97.72121       113.8225 ?        ?        60.71289 23.10436 0.000000       23.10436 
1 1 1 -16 32 20 o 267.7737 9.668990 2148.615       151.5954 0.000000       0.000000 2148.615       151.5954 ?        ?        267.7737 9.668990 0.000000       9.668990 
1 1 1 -16 32 21 o 129.8227 16.56503 532.6426       123.2538 0.000000       0.000000 532.6426       123.2538 ?        ?        129.8227 16.56503 0.000000       16.56503 
1 1 1 -16 32 22 o 73.18906 23.43259 180.6592       113.7360 0.000000       0.000000 180.6592       113.7360 ?        ?        73.18906 23.43259 0.000000       23.43259 
1 1 1 -16 32 23 o 59.36723 22.55889 98.34380       108.4123 0.000000       0.000000 98.34380       108.4123 ?        ?        59.36723 22.55889 0.000000       22.55889 
1 1 1 -16 32 24 o 128.0302 16.05317 520.9435       117.8952 0.000000       0.000000 520.9435       117.8952 ?        ?        128.0302 16.05317 0.000000       16.05317 
1 1 1 -16 32 25 o 55.13909 22.59320 62.19905       116.4823 0.000000       0.000000 62.19905       116.4823 ?        ?        55.13909 22.59320 0.000000       22.59320 
1 1 1 -16 32 26 o 78.26385 24.24334 217.8049       122.7012 0.000000       0.000000 217.8049       122.7012 ?        ?        78.26385 24.24334 0.000000       24.24334 
1 1 1 -16 32 27 o 88.99274 35.64882 327.8295       282.5864 0.000000       0.000000 327.8295       282.5864 ?        ?        88.99274 35.64882 0.000000       35.64882 
1 1 1 -16 32 28 o 86.27602 24.56482 272.5505       130.2547 0.000000       0.000000 272.5505       130.2547 ?        ?        86.27602 24.56482 0.000000       24.56482 
1 1 1 -16 32 29 o 51.54357 22.81028 8.365815       136.1752 0.000000       0.000000 8.365815       136.1752 ?        ?        51.54357 22.81028 0.000000       22.81028 
1 1 1 -16 32 30 o 53.20065 23.22405 27.77334       136.8071 0.000000       0.000000 27.77334       136.8071 ?        ?        53.20065 23.22405 0.000000       23.22405 
1 1 1 -16 32 31 o 51.72918 23.22872 -2.020479      146.6674 0.000000       0.000000 -2.020479      146.6674 ?        ?        51.72918 23.22872 0.000000       23.22872 
1 1 1 -16 32 32 o 77.54086 26.97331 232.3466       150.2293 0.000000       0.000000 232.3466       150.2293 ?        ?        77.54086 26.97331 0.000000       26.97331 
1 1 1 -16 32 33 o 65.14773 26.01794 137.9488       150.0599 0.000000       0.000000 137.9488       150.0599 ?        ?        65.14773 26.01794 0.000000       26.01794 
1 1 1 -16 33 1  o 117.2746 18.70365 430.0860       124.3234 706.0828       405.6506 401.4744       130.6086 136.6100 44.30035 112.5325 20.54675 24.07745       48.83328 
1 1 1 -16 33 2  o 87.07893 24.42710 246.7269       129.7831 99.85802       392.1346 264.7936       137.5341 91.16052 39.56231 89.99736 25.10981 1.163162       46.85807 
1 1 1 -16 33 3  o 116.7280 18.78748 426.6763       124.2515 -241.8831      395.1071 500.0496       130.8922 75.48715 35.39459 126.8212 18.11222 -51.33408      39.75964 
1 1 1 -16 33 4  o 48.17928 21.06505 -12.38042      112.9376 293.8798       426.1178 -35.51918      117.1263 104.5731 43.06976 46.84867 20.91794 57.72438       47.88073 
1 1 1 -16 33 5  o 139.6484 14.67422 594.2363       118.3890 390.8369       435.7794 610.4446       123.0157 110.9629 44.33018 141.4185 15.06371 -30.45556      46.81966 
1 1 1 -16 33 6  o 149.8291 13.39867 679.5439       116.4944 -141.4678      447.0851 739.3457       120.6625 83.70465 38.70395 156.3697 13.28297 -72.66501      40.91983 
1 1 1 -16 33 7  o 74.71713 22.56628 178.6073       107.1814 -5.437126      446.2008 189.8770       110.4142 88.97688 40.18525 76.81545 22.83607 12.16143       46.22056 
1 1 1 -16 33 8  o 48.05256 20.67836 3.153677       105.3474 -215.3428      422.9309 17.60711       108.7759 78.19529 36.65006 50.38867 21.32594 27.80662       42.40310 
1 1 1 -16 33 9  o 69.71910 22.55480 152.2460       105.1889 67.43452       406.5168 158.3320       108.8977 88.67803 39.31902 70.97079 22.94809 17.70724       45.52582 
1 1 1 -16 33 10 o 143.3199 14.44322 628.0760       119.7465 0.000000       0.000000 628.0760       119.7465 ?        ?        143.3199 14.44322 0.000000       14.44322 
1 1 1 -16 33 11 o 102.7872 19.46477 338.3814       113.0430 -115.7222      423.2994 373.2536       117.3032 80.84885 37.48000 108.1954 19.18892 -27.34653      42.10659 
1 1 1 -16 33 12 o 97.37810 20.41224 307.5705       112.8407 0.000000       0.000000 307.5705       112.8407 ?        ?        97.37810 20.41224 0.000000       20.41224 
1 1 1 -16 33 13 o 146.9127 13.59333 659.1571       115.7934 0.000000       0.000000 659.1571       115.7934 ?        ?        146.9127 13.59333 0.000000       13.59333 
1 1 1 -16 33 14 o 66.56925 22.41792 138.2155       103.5749 0.000000       0.000000 138.2155       103.5749 ?        ?        66.56925 22.41792 0.000000       22.41792 
1 1 1 -16 33 15 o 66.96560 22.75464 140.1892       106.7192 0.000000       0.000000 140.1892       106.7192 ?        ?        66.96560 22.75464 0.000000       22.75464 
1 1 1 -16 33 16 o 72.93572 23.46933 174.1703       113.9905 0.000000       0.000000 174.1703       113.9905 ?        ?        72.93572 23.46933 0.000000       23.46933 
1 1 1 -16 33 17 o 69.65455 23.09469 156.4655       109.9868 0.000000       0.000000 156.4655       109.9868 ?        ?        69.65455 23.09469 0.000000       23.09469 
1 1 1 -16 33 18 o 51.66902 21.62090 34.50741       109.8138 0.000000       0.000000 34.50741       109.8138 ?        ?        51.66902 21.62090 0.000000       21.62090 
1 1 1 -16 33 19 o 109.5789 23.36370 407.9971       145.5596 0.000000       0.000000 407.9971       145.5596 ?        ?        109.5789 23.36370 0.000000       23.36370 
1 1 1 -16 33 20 o 123.4444 17.73117 489.0179       124.6895 0.000000       0.000000 489.0179       124.6895 ?        ?        123.4444 17.73117 0.000000       17.73117 
1 1 1 -16 33 21 o 200.6765 11.73107 1227.432       137.4633 0.000000       0.000000 1227.432       137.4633 ?        ?        200.6765 11.73107 0.000000       11.73107 
1 1 1 -16 33 22 o 104.2222 20.59807 364.1189       121.4381 0.000000       0.000000 364.1189       121.4381 ?        ?        104.2222 20.59807 0.000000       20.59807 
1 1 1 -16 33 23 o 197.3228 11.78652 1190.737       135.7780 0.000000       0.000000 1190.737       135.7780 ?        ?        197.3228 11.78652 0.000000       11.78652 
1 1 1 -16 33 24 o 52.04737 22.04677 36.60339       116.4190 0.000000       0.000000 36.60339       116.4190 ?        ?        52.04737 22.04677 0.000000       22.04677 
1 1 1 -16 33 25 o 51.22406 21.95210 29.08693       117.8064 0.000000       0.000000 29.08693       117.8064 ?        ?        51.22406 21.95210 0.000000       21.95210 
1 1 1 -16 33 26 o 99.06686 23.37397 349.4891       133.5951 0.000000       0.000000 349.4891       133.5951 ?        ?        99.06686 23.37397 0.000000       23.37397 
1 1 1 -16 33 27 o 49.52897 22.25465 -13.74671      134.8591 0.000000       0.000000 -13.74671      134.8591 ?        ?        49.52897 22.25465 0.000000       22.25465 
1 1 1 -16 33 28 o 197.6091 14.52792 1236.009       167.1915 0.000000       0.000000 1236.009       167.1915 ?        ?        197.6091 14.52792 0.000000       14.52792 
1 1 1 -16 33 29 o 43.19286 20.97998 -204.1808      167.4497 0.000000       0.000000 -204.1808      167.4497 ?        ?        43.19286 20.97998 0.000000       20.97998 
1 1 1 -16 33 30 o 65.34594 26.20399 134.3456       152.8522 0.000000       0.000000 134.3456       152.8522 ?        ?        65.34594 26.20399 0.000000       26.20399 
1 1 1 -16 33 31 o 60.78593 25.49192 92.49056       153.1685 0.000000       0.000000 92.49056       153.1685 ?        ?        60.78593 25.49192 0.000000       25.49192 
1 1 1 -16 33 32 o 49.61459 22.82261 -36.58479      152.6018 0.000000       0.000000 -36.58479      152.6018 ?        ?        49.61459 22.82261 0.000000       22.82261 
1 1 1 -16 34 1  o 51.33037 22.69233 -21.14911      134.4317 0.000000       0.000000 -21.14911      134.4317 ?        ?        51.33037 22.69233 0.000000       22.69233 
1 1 1 -16 34 2  o 237.6297 10.98610 1690.739       152.6925 1307.317       429.1390 1746.317       163.3848 186.5072 40.40345 241.2360 11.58216 -54.72884      42.03077 
1 1 1 -16 34 3  o 68.36473 27.84554 91.52966       175.6414 0.000000       0.000000 91.52966       175.6414 ?        ?        68.36473 27.84554 0.000000       27.84554 
1 1 1 -16 34 4  o 76.47871 24.10748 188.8796       120.7781 444.1767       420.1305 165.8802       126.1012 111.3303 43.82916 72.95572 24.73542 38.37455       50.32730 
1 1 1 -16 34 5  o 51.25317 21.89174 13.87170       116.4537 240.8042       435.8048 -3.578168      120.8481 98.81902 42.28259 50.28383 21.89102 48.53519       47.61338 
1 1 1 -16 34 6  o 115.6105 17.55695 419.8784       115.3034 838.7614       429.3766 387.3244       119.7000 141.9755 45.53671 110.2526 19.20988 31.72287       49.42278 
1 1 1 -16 34 7  o 45.25780 20.14688 -26.56334      107.8047 -761.6636      421.7551 24.82279       111.5090 61.68661 30.60445 51.45670 21.67534 10.22991       37.50270 
1 1 1 -16 34 8  o 160.2929 12.82012 779.7026       119.5155 1314.886       428.0206 734.4465       124.4662 184.7119 40.61864 155.1188 13.82635 29.59306       42.90736 
1 1 1 -16 34 9  o 36.62076 17.49164 -127.5219      105.3587 -742.9325      431.4667 -88.49969      108.6477 62.72684 31.09161 40.10527 18.72505 22.62157       36.29485 
1 1 1 -16 34 10 o 188.5284 10.99225 1068.994       121.0113 986.4860       429.6783 1076.102       126.1161 152.7150 44.95892 188.9637 11.43348 -36.24875      46.38996 
1 1 1 -16 34 11 o 34.98897 16.85155 -141.3077      102.4357 0.000000       0.000000 -141.3077      102.4357 ?        ?        34.98897 16.85155 0.000000       16.85155 
1 1 1 -16 34 12 o 45.77755 20.19746 -14.78476      105.9941 -304.3717      400.3284 7.046278       109.9168 70.55897 33.80796 48.85808 21.07434 21.70089       39.83850 
1 1 1 -16 34 13 o 171.0642 13.29996 893.7707       132.3842 0.000000       0.000000 893.7707       132.3842 ?        ?        171.0642 13.29996 0.000000       13.29996 
1 1 1 -16 34 14 o 64.86343 22.98740 127.5628       109.4565 0.000000       0.000000 127.5628       109.4565 ?        ?        64.86343 22.98740 0.000000       22.98740 
1 1 1 -16 34 15 o 92.54179 21.56879 285.7006       114.8882 0.000000       0.000000 285.7006       114.8882 ?        ?        92.54179 21.56879 0.000000       21.56879 
1 1 1 -16 34 16 o 134.3606 15.13870 562.7188       117.2179 0.000000       0.000000 562.7188       117.2179 ?        ?        134.3606 15.13870 0.000000       15.13870 
1 1 1 -16 34 17 o 127.6505 15.31177 510.3235       112.3450 0.000000       0.000000 510.3235       112.3450 ?        ?        127.6505 15.31177 0.000000       15.31177 
1 1 1 -16 34 18 f 124.8567 16.28680 494.0044       116.4209 0.000000       0.000000 494.0044       116.4209 ?        ?        124.8567 16.28680 0.000000       16.28680 
1 1 1 -16 34 19 o 61.78822 23.63964 107.2353       119.5675 0.000000       0.000000 107.2353       119.5675 ?        ?        61.78822 23.63964 0.000000       23.63964 
1 1 1 -16 34 20 o 106.7654 19.89363 378.5468       119.9828 0.000000       0.000000 378.5468       119.9828 ?        ?        106.7654 19.89363 0.000000       19.89363 
1 1 1 -16 34 21 o 47.12563 21.13208 -22.50664      120.9211 0.000000       0.000000 -22.50664      120.9211 ?        ?        47.12563 21.13208 0.000000       21.13208 
1 1 1 -16 34 22 o 41.25246 19.28160 -81.82067      115.7149 0.000000       0.000000 -81.82067      115.7149 ?        ?        41.25246 19.28160 0.000000       19.28160 
1 1 1 -16 34 23 f 34.21758 16.84275 -216.8016      119.0821 0.000000       0.000000 -216.8016      119.0821 ?        ?        34.21758 16.84275 0.000000       16.84275 
1 1 1 -16 34 24 o 93.30955 23.46845 310.8750       128.2880 0.000000       0.000000 310.8750       128.2880 ?        ?        93.30955 23.46845 0.000000       23.46845 
1 1 1 -16 34 25 o 120.5556 20.19876 492.7450       137.7641 0.000000       0.000000 492.7450       137.7641 ?        ?        120.5556 20.19876 0.000000       20.19876 
1 1 1 -16 34 26 o 120.0897 21.13730 496.8690       143.4352 0.000000       0.000000 496.8690       143.4352 ?        ?        120.0897 21.13730 0.000000       21.13730 
1 1 1 -16 34 27 o 89.68092 24.91479 299.4050       135.7205 0.000000       0.000000 299.4050       135.7205 ?        ?        89.68092 24.91479 0.000000       24.91479 
1 1 1 -16 34 28 f 81.31698 26.97783 256.0078       150.0766 0.000000       0.000000 256.0078       150.0766 ?        ?        81.31698 26.97783 0.000000       26.97783 
1 1 1 -16 34 29 o 74.44717 27.81809 209.3484       163.3161 0.000000       0.000000 209.3484       163.3161 ?        ?        74.44717 27.81809 0.000000       27.81809 
1 1 1 -16 34 30 o 41.34737 20.22732 -227.6818      163.6636 0.000000       0.000000 -227.6818      163.6636 ?        ?        41.34737 20.22732 0.000000       20.22732 
1 1 1 -16 35 1  o 109.3357 22.18256 392.5575       137.3720 1250.829       418.8252 289.0942       145.4165 179.1525 40.78065 92.23984 25.84992 86.91267       48.28333 
1 1 1 -16 35 2  o 65.22446 24.89011 111.9790       132.3292 600.0683       432.3068 61.51826       139.0014 120.2907 45.19485 59.93628 24.63313 60.35442       51.47199 
1 1 1 -16 35 3  o 165.9263 19.04129 869.8899       181.9406 1021.599       446.0384 839.6096       199.2723 154.6078 45.88213 161.3780 21.59651 -6.770187      50.71074 
1 1 1 -16 35 4  o 74.40892 24.97478 177.8013       128.5545 -6.272735      426.3009 196.2150       134.8312 84.43184 38.57907 77.49509 25.56552 6.936745       46.28110 
1 1 1 -16 35 5  o 69.21531 24.35781 146.7162       122.7259 126.9922       425.6123 148.5049       128.1700 90.30621 40.12577 69.86223 24.86324 20.44398       47.20443 
1 1 1 -16 35 6  f 198.1139 12.19041 1187.728       140.9534 1171.601       439.3483 1189.578       148.8202 167.8756 44.07233 197.9083 12.89192 -30.03273      45.91919 
1 1 1 -16 35 7  o 66.84476 23.11631 137.8593       110.2634 266.0591       424.9741 128.6061       114.1733 97.03145 41.64044 65.65024 23.45529 31.38121       47.79202 
1 1 1 -16 35 8  o 62.31131 23.17788 107.8296       113.1242 744.7029       437.4017 62.17661       117.1085 129.3480 45.94144 56.54834 22.84491 72.79962       51.30795 
1 1 1 -16 35 9  o 68.28215 23.21885 147.0324       111.1204 64.03634       422.4841 153.2005       115.1756 86.13135 38.98181 69.51608 23.63873 16.61527       45.58916 
1 1 1 -16 35 10 o 62.78700 22.86377 114.3731       109.1151 122.8090       410.7818 113.7327       113.1811 87.92532 39.22197 63.07566 23.23433 24.84967       45.58725 
1 1 1 -16 35 11 o 76.51017 23.16748 195.4059       112.8658 -362.6855      422.2000 238.3590       117.1287 70.12211 33.88126 84.05608 23.06582 -13.93397      40.98746 
1 1 1 -16 35 12 f 66.89918 23.66603 138.3234       115.9707 107.4982       442.5645 140.5961       120.1698 88.13496 39.89216 67.53548 24.07057 20.59949       46.59159 
1 1 1 -16 35 13 o 133.4974 15.55121 557.2596       119.4781 -152.3047      457.6756 609.1523       123.7699 78.59501 37.22889 139.7443 15.35451 -61.14925      40.27097 
1 1 1 -16 35 14 o 58.21813 22.90998 81.67965       114.7482 0.000000       0.000000 81.67965       114.7482 ?        ?        58.21813 22.90998 0.000000       22.90998 
1 1 1 -16 35 15 o 86.68600 22.97801 257.7392       118.6903 0.000000       0.000000 257.7392       118.6903 ?        ?        86.68600 22.97801 0.000000       22.97801 
1 1 1 -16 35 16 o 106.4949 19.99236 375.2890       120.2812 0.000000       0.000000 375.2890       120.2812 ?        ?        106.4949 19.99236 0.000000       19.99236 
1 1 1 -16 35 17 o 115.8815 18.37707 436.6193       120.7307 0.000000       0.000000 436.6193       120.7307 ?        ?        115.8815 18.37707 0.000000       18.37707 
1 1 1 -16 35 18 o 49.84153 21.32446 22.35454       110.8313 0.000000       0.000000 22.35454       110.8313 ?        ?        49.84153 21.32446 0.000000       21.32446 
1 1 1 -16 35 19 o 64.29151 23.93203 126.7989       120.6479 0.000000       0.000000 126.7989       120.6479 ?        ?        64.29151 23.93203 0.000000       23.93203 
1 1 1 -16 35 20 o 56.07635 22.95236 66.50924       120.0517 0.000000       0.000000 66.50924       120.0517 ?        ?        56.07635 22.95236 0.000000       22.95236 
1 1 1 -16 35 21 o 46.19767 20.87599 -29.32925      120.6109 0.000000       0.000000 -29.32925      120.6109 ?        ?        46.19767 20.87599 0.000000       20.87599 
1 1 1 -16 35 22 o 78.13671 24.61127 219.8875       125.9016 0.000000       0.000000 219.8875       125.9016 ?        ?        78.13671 24.61127 0.000000       24.61127 
1 1 1 -16 35 23 f 54.86988 23.16144 52.36296       127.7526 0.000000       0.000000 52.36296       127.7526 ?        ?        54.86988 23.16144 0.000000       23.16144 
1 1 1 -16 35 24 o 74.68090 25.17321 202.4548       130.5986 0.000000       0.000000 202.4548       130.5986 ?        ?        74.68090 25.17321 0.000000       25.17321 
1 1 1 -16 35 25 o 61.90668 24.76607 109.4026       136.2035 0.000000       0.000000 109.4026       136.2035 ?        ?        61.90668 24.76607 0.000000       24.76607 
1 1 1 -16 35 26 o 68.55724 25.53526 163.5487       137.3938 0.000000       0.000000 163.5487       137.3938 ?        ?        68.55724 25.53526 0.000000       25.53526 
1 1 1 -16 35 27 o 47.87955 22.00525 -42.44710      141.4375 0.000000       0.000000 -42.44710      141.4375 ?        ?        47.87955 22.00525 0.000000       22.00525 
1 1 1 -16 35 28 o 88.93554 26.72632 309.2982       150.6143 0.000000       0.000000 309.2982       150.6143 ?        ?        88.93554 26.72632 0.000000       26.72632 
1 1 1 -16 35 29 o 40.65160 19.73421 -180.7737      147.5871 0.000000       0.000000 -180.7737      147.5871 ?        ?        40.65160 19.73421 0.000000       19.73421 
1 1 1 -16 36 1  o 74.69676 25.04239 181.7813       129.2549 644.5134       385.7957 123.2730       137.1833 122.9585 43.19338 66.80192 25.37814 56.15656       50.09708 
1 1 1 -16 36 2  o 123.4722 25.50245 518.8684       178.5560 1025.875       380.7124 375.8953       202.1704 159.5135 40.59921 101.9046 31.03765 57.60889       51.10412 
1 1 1 -16 36 3  o 102.7318 21.46802 348.4164       125.1706 560.4629       377.2208 322.1798       132.6885 115.8823 42.46211 97.75098 23.44703 18.13131       48.50561 
1 1 1 -16 36 4  o 165.6726 14.20632 843.6302       136.7018 1614.800       436.5261 759.7800       143.9419 205.7052 37.56770 156.2505 15.93040 49.45473       40.80576 
1 1 1 -16 36 5  o 231.3024 11.54853 1616.144       156.1642 1741.757       449.4926 1598.901       166.5381 214.0401 37.15466 229.5405 12.41720 -15.50038      39.17467 
1 1 1 -16 36 6  o 162.8461 14.37059 816.9888       135.8401 995.8365       439.3206 798.0819       142.8399 148.8335 45.83349 160.3878 15.37344 -11.55428      48.34306 
1 1 1 -16 36 7  o 109.2406 19.14088 385.8890       118.1627 1353.235       425.3135 304.9774       123.0052 182.9818 40.68528 95.31285 22.38832 87.66896       46.43845 
1 1 1 -16 36 8  o 46.05293 20.59858 -27.11637      114.1046 322.8225       397.9365 -58.46603      119.1061 97.29031 40.96230 44.39600 20.32578 52.89431       45.72797 
1 1 1 -16 36 9  o 98.91429 20.64574 323.5898       115.8921 -251.7247      389.2332 379.5538       121.3980 70.06923 33.50945 107.7102 19.95243 -37.64093      38.99978 
1 1 1 -16 36 10 o 47.14544 20.90986 -16.13431      115.0495 356.6924       394.3961 -50.81079      120.2809 98.34783 41.05085 45.14099 20.57478 53.20684       45.91834 
1 1 1 -16 36 11 o 46.70848 20.68207 -13.79220      112.1024 811.0248       410.0318 -80.42564      116.5426 131.4681 44.60316 41.99199 19.53473 89.47612       48.69341 
1 1 1 -16 36 12 o 60.20715 22.99210 99.02465       112.9697 -729.4414      434.5400 159.0771       116.9925 61.04743 30.41558 69.68758 23.82184 -8.640156      38.63402 
1 1 1 -16 36 13 o 106.6787 19.58573 374.8915       118.0229 660.6368       454.9231 354.2711       122.2072 115.0406 45.50892 102.8357 20.97448 12.20485       50.10979 
1 1 1 -16 36 14 o 137.5629 14.85183 592.7386       117.9235 1135.336       467.7548 555.9120       121.8596 149.4939 47.48273 132.5131 16.00393 16.98082       50.10723 
1 1 1 -16 36 15 o 42.38675 19.51019 -58.70776      111.7677 -127.1931      459.8157 -54.40733      115.2234 77.01495 36.71801 43.45193 19.93015 33.56302       41.77827 
1 1 1 -16 36 16 o 53.48682 22.30736 47.20370       116.3217 0.000000       0.000000 47.20370       116.3217 ?        ?        53.48682 22.30736 0.000000       22.30736 
1 1 1 -16 36 17 o 66.25830 24.44186 138.8193       125.3274 0.000000       0.000000 138.8193       125.3274 ?        ?        66.25830 24.44186 0.000000       24.44186 
1 1 1 -16 36 18 o 89.40490 23.86713 283.9073       127.4855 0.000000       0.000000 283.9073       127.4855 ?        ?        89.40490 23.86713 0.000000       23.86713 
1 1 1 -16 36 19 o 46.28002 21.08165 -40.23001      126.0466 0.000000       0.000000 -40.23001      126.0466 ?        ?        46.28002 21.08165 0.000000       21.08165 
1 1 1 -16 36 20 o 70.83449 25.54499 172.5539       135.7751 0.000000       0.000000 172.5539       135.7751 ?        ?        70.83449 25.54499 0.000000       25.54499 
1 1 1 -16 36 21 o 107.6473 22.09048 404.2411       134.7844 0.000000       0.000000 404.2411       134.7844 ?        ?        107.6473 22.09048 0.000000       22.09048 
1 1 1 -16 36 22 o 71.81056 25.54419 183.0561       135.2713 0.000000       0.000000 183.0561       135.2713 ?        ?        71.81056 25.54419 0.000000       25.54419 
1 1 1 -16 36 23 o 112.2874 22.30136 443.3903       141.6837 0.000000       0.000000 443.3903       141.6837 ?        ?        112.2874 22.30136 0.000000       22.30136 
1 1 1 -16 36 24 o 41.96091 19.97293 -119.1709      134.9229 0.000000       0.000000 -119.1709      134.9229 ?        ?        41.96091 19.97293 0.000000       19.97293 
1 1 1 -16 36 25 o 66.82135 25.41923 152.0053       137.7405 0.000000       0.000000 152.0053       137.7405 ?        ?        66.82135 25.41923 0.000000       25.41923 
1 1 1 -16 36 26 o 66.50113 25.72181 149.1047       142.6430 0.000000       0.000000 149.1047       142.6430 ?        ?        66.50113 25.72181 0.000000       25.72181 
1 1 1 -16 36 27 o 50.14935 22.81913 -21.11831      147.1688 0.000000       0.000000 -21.11831      147.1688 ?        ?        50.14935 22.81913 0.000000       22.81913 
1 1 1 -16 37 1  o 142.6017 17.22533 643.9144       141.1443 294.5721       371.3357 702.9089       152.5973 94.10336 39.59205 148.6631 17.85940 -54.55974      43.43372 
1 1 1 -16 37 2  o 81.89063 29.16502 228.5611       176.3881 845.4216       379.3638 58.42327       199.2337 138.6725 42.57069 66.15971 28.45334 72.51283       51.20406 
1 1 1 -16 37 3  o 165.5452 14.68891 849.3424       141.1333 1253.601       393.8884 789.7971       151.1705 176.2293 39.13010 158.4932 16.50469 17.73604       42.46846 
1 1 1 -16 37 4  o 49.37774 22.07630 -24.38884      130.9145 212.8850       404.0244 -52.22336      138.3804 90.17655 39.62276 48.48915 22.08837 41.68740       45.36363 
1 1 1 -16 37 5  o 74.16278 25.09298 183.3184       129.7692 214.1326       422.1246 180.1023       136.3732 90.72230 40.15408 73.88267 25.69939 16.83963       47.67398 
1 1 1 -16 37 6  o 232.3981 11.76812 1640.554       159.8727 1629.531       436.2069 1642.264       171.8293 202.0545 38.21004 231.8743 12.68386 -29.81976      40.26025 
1 1 1 -16 37 7  o 124.8536 17.95222 500.8738       127.6782 243.3326       416.5872 527.5737       134.1334 91.26740 40.16342 127.9097 18.41020 -36.64232      44.18185 
1 1 1 -16 37 8  o 52.61462 22.43377 28.27427       121.9096 1196.813       419.7288 -79.38635      127.4019 164.0365 43.08312 44.18643 20.51084 119.8500       47.71635 
1 1 1 -16 37 9  o 65.48981 24.52305 128.2694       127.0557 186.2384       423.9034 122.5476       133.1787 87.98316 39.50085 65.21625 24.94948 22.76691       46.72038 
1 1 1 -16 37 10 o 84.84707 23.84395 250.8470       123.5434 152.1206       418.3935 260.2772       129.3092 85.86946 38.83484 86.13930 24.45878 -0.2698364     45.89528 
1 1 1 -16 37 11 o 57.65406 23.14068 76.55408       119.3177 68.45273       419.0116 77.26897       124.4709 81.98149 37.75004 58.38721 23.56481 23.59428       44.50130 
1 1 1 -16 37 12 o 60.34809 23.69116 95.29377       122.4517 -331.5657      427.5450 133.4374       127.8057 68.83103 33.45400 65.99331 24.61874 2.837723       41.53616 
1 1 1 -16 37 13 o 52.29898 22.17587 34.49388       117.9877 -155.1381      432.4917 49.74205       122.6397 73.97448 35.36224 54.70362 22.86669 19.27085       42.11145 
1 1 1 -16 37 14 o 84.78838 23.66620 253.2787       122.1475 217.7277       457.5591 256.0066       126.7473 88.34986 40.21478 84.96600 24.24495 3.383865       46.95791 
1 1 1 -16 37 15 o 57.64714 22.84057 84.08198       114.7606 0.000000       0.000000 84.08198       114.7606 ?        ?        57.64714 22.84057 0.000000       22.84057 
1 1 1 -16 37 16 o 165.9387 13.49333 857.0405       130.1836 427.2407       489.5764 889.7434       135.0455 96.41510 42.92602 168.9054 13.75173 -72.49028      45.07497 
1 1 1 -16 37 17 o 50.31187 22.13193 6.306954       126.3861 0.000000       0.000000 6.306954       126.3861 ?        ?        50.31187 22.13193 0.000000       22.13193 
1 1 1 -16 37 18 o 56.89067 23.95059 59.85810       136.0237 0.000000       0.000000 59.85810       136.0237 ?        ?        56.89067 23.95059 0.000000       23.95059 
1 1 1 -16 37 19 o 75.97662 25.88053 210.1021       138.0653 0.000000       0.000000 210.1021       138.0653 ?        ?        75.97662 25.88053 0.000000       25.88053 
1 1 1 -16 37 20 o 70.91100 25.84624 176.1402       139.4853 0.000000       0.000000 176.1402       139.4853 ?        ?        70.91100 25.84624 0.000000       25.84624 
1 1 1 -16 37 21 o 86.02515 25.97372 278.9818       142.0086 0.000000       0.000000 278.9818       142.0086 ?        ?        86.02515 25.97372 0.000000       25.97372 
1 1 1 -16 37 22 o 85.93122 26.78054 284.2622       149.4756 0.000000       0.000000 284.2622       149.4756 ?        ?        85.93122 26.78054 0.000000       26.78054 
1 1 1 -16 37 23 o 86.88840 26.51928 291.9585       147.4905 0.000000       0.000000 291.9585       147.4905 ?        ?        86.88840 26.51928 0.000000       26.51928 
1 1 1 -16 37 24 o 81.22220 29.96148 267.2694       188.3223 0.000000       0.000000 267.2694       188.3223 ?        ?        81.22220 29.96148 0.000000       29.96148 
1 1 1 -16 37 25 o 70.65422 27.13874 179.5545       158.0042 0.000000       0.000000 179.5545       158.0042 ?        ?        70.65422 27.13874 0.000000       27.13874 
1 1 1 -16 37 26 o 52.46575 23.66646 -0.7212163     154.2117 0.000000       0.000000 -0.7212163     154.2117 ?        ?        52.46575 23.66646 0.000000       23.66646 
1 1 1 -16 38 1  o 188.5914 19.23932 1150.238       209.8181 1644.057       389.5878 948.4869       249.0172 208.9629 32.87430 164.3594 26.75282 44.60352       42.38435 
1 1 1 -16 38 2  o 147.2822 17.18331 691.3964       145.6400 1792.003       396.7350 519.9789       156.5713 219.7929 31.69223 124.1815 22.31869 95.61138       38.76237 
1 1 1 -16 38 3  o 72.64127 25.68756 174.9756       136.6183 536.3640       388.5340 123.9895       145.9378 108.2641 42.28917 66.45024 25.92891 41.81383       49.60527 
1 1 1 -16 38 4  o 152.0683 16.31037 731.5537       143.1928 830.4147       395.3059 716.6228       153.6259 131.9483 43.78446 149.4214 17.88568 -17.47313      47.29669 
1 1 1 -16 38 5  o 160.2430 16.12124 810.7127       149.4487 597.0454       420.6952 841.5711       159.8768 111.2810 43.84364 162.6462 17.01197 -51.36520      47.02842 
1 1 1 -16 38 6  f 63.79160 25.37818 105.7755       142.2276 697.0564       418.9980 28.77312       151.2054 118.4013 44.49187 56.87756 24.62579 61.52372       50.85230 
1 1 1 -16 38 7  o 49.82286 22.21383 -15.42265      131.5906 168.2039       427.5143 -34.64082      138.3054 86.43398 39.15656 49.39394 22.33431 37.04004       45.07835 
1 1 1 -16 38 8  o 50.41579 22.32397 -6.097669      130.6128 -216.0020      429.0917 15.33718       137.1196 72.11292 34.66951 53.43009 23.28864 18.68282       41.76525 
1 1 1 -16 38 9  o 66.89494 25.44181 135.9780       137.9671 -354.8799      443.9926 188.4414       145.1530 69.07402 33.68807 74.33739 26.45891 -5.263367      42.83643 
1 1 1 -16 38 10 o 39.18057 18.80673 -146.3369      125.1216 107.0877       443.5027 -168.2519      130.4194 83.49837 38.58736 39.06561 18.86457 44.43277       42.95179 
1 1 1 -16 38 11 o 53.23812 22.85995 29.72122       128.2182 -164.5168      428.4635 48.82637       134.3761 72.90434 34.94344 56.09035 23.71930 16.81399       42.23327 
1 1 1 -16 38 12 o 87.42603 25.00217 275.5229       134.6425 175.8666       438.8622 285.8777       141.4647 85.14764 38.99547 88.63852 25.71416 -3.490883      46.71043 
1 1 1 -16 38 13 o 66.39374 25.07726 138.7188       133.4905 622.8607       451.5346 92.35146       139.7367 107.2507 44.27043 61.17814 24.86721 46.07256       50.77646 
1 1 1 -16 38 14 o 150.4567 15.63898 720.6796       135.9862 652.7313       462.3765 727.1134       142.2787 107.7281 44.66388 150.5743 16.37502 -42.84619      47.57103 
1 1 1 -16 38 15 o 193.0278 13.00944 1156.427       146.4149 85.42918       460.9644 1276.601       154.4109 80.99753 38.05816 202.8092 13.05123 -121.8116      40.23379 
1 1 1 -16 38 16 o 61.36615 23.95293 109.4820       124.5752 -639.7062      446.1673 172.8264       129.7348 61.02107 30.46781 70.50260 25.02237 -9.481533      39.42596 
1 1 1 -16 38 17 o 79.93130 25.13675 234.8975       131.3851 187.5556       440.4043 239.5226       137.6534 82.86287 38.34947 80.38837 25.78312 2.474503       46.21094 
1 1 1 -16 38 18 o 53.42334 23.42137 21.88167       140.4587 136.2540       459.4078 10.08819       147.5227 81.12340 38.07828 53.37978 23.67613 27.74361       44.83876 
1 1 1 -16 38 19 o 55.36934 23.98186 40.00055       143.5106 0.000000       0.000000 40.00055       143.5106 ?        ?        55.36934 23.98186 0.000000       23.98186 
1 1 1 -16 38 20 o 75.59315 26.92804 213.5779       150.3753 0.000000       0.000000 213.5779       150.3753 ?        ?        75.59315 26.92804 0.000000       26.92804 
1 1 1 -16 38 21 o 104.9489 26.09903 418.4770       159.9658 0.000000       0.000000 418.4770       159.9658 ?        ?        104.9489 26.09903 0.000000       26.09903 
1 1 1 -16 38 22 f 114.6095 26.03313 496.6717       170.9846 0.000000       0.000000 496.6717       170.9846 ?        ?        114.6095 26.03313 0.000000       26.03313 
1 1 1 -16 38 23 o 59.16760 25.93174 54.34533       172.0636 0.000000       0.000000 54.34533       172.0636 ?        ?        59.16760 25.93174 0.000000       25.93174 
1 1 1 -16 38 24 o 74.67097 29.42709 214.0640       189.5599 0.000000       0.000000 214.0640       189.5599 ?        ?        74.67097 29.42709 0.000000       29.42709 
1 1 1 -16 39 1  o 67.51535 28.40908 100.1305       191.2262 249.4456       342.1177 32.28422       230.6146 86.91020 37.33017 66.09750 29.44262 20.81271       47.54376 
1 1 1 -16 39 2  o 69.77174 26.14014 155.1319       144.4041 -194.8615      361.3858 221.6325       157.5266 67.41664 32.25377 79.08561 27.61364 -11.66897      42.45961 
1 1 1 -16 39 3  o 37.89360 18.53657 -221.4462      137.3829 -164.9453      378.3882 -230.0252      147.4445 69.72157 33.25961 39.43250 19.27098 30.28906       38.43921 
1 1 1 -16 39 4  o 59.17632 24.77867 65.36765       144.3771 649.1613       402.9094 -20.63793      154.6468 113.5374 43.40563 52.92302 23.80127 60.61438       49.50302 
1 1 1 -16 39 5  o 74.76360 26.84158 192.3890       149.7137 -308.1301      399.5792 274.1288       161.4765 66.65887 32.38519 86.15025 27.95127 -19.49138      42.77936 
1 1 1 -16 39 6  o 87.17130 25.47247 274.5338       138.3699 640.9258       399.4466 224.5732       147.5025 112.2724 43.14375 79.15271 26.75274 33.11967       50.76507 
1 1 1 -16 39 7  o 59.48454 24.37032 80.01398       135.5033 274.9920       412.1839 56.38886       143.4780 88.99082 39.51754 57.92010 24.50203 31.07072       46.49715 
1 1 1 -16 39 8  o 58.37610 23.96383 75.17396       131.3523 537.8849       417.9239 24.45609       138.3639 103.4826 42.64052 54.04718 23.47770 49.43544       48.67665 
1 1 1 -16 39 9  o 66.78474 25.36149 140.1592       136.9700 66.46638       404.7411 149.6903       145.5583 78.75298 36.55690 68.52449 26.11546 10.22849       44.92687 
1 1 1 -16 39 10 o 70.79443 25.09467 171.8899       130.4501 -211.2773      397.5816 218.1165       138.0951 68.35881 32.99213 77.76988 25.88087 -9.411072      41.93209 
1 1 1 -16 39 11 o 62.26298 24.82310 106.2834       136.3595 347.2764       397.8728 74.20954       145.1502 91.05786 39.68025 59.57040 24.88723 31.48746       46.83905 
1 1 1 -16 39 12 o 98.98615 24.40758 353.8872       140.7861 196.0837       402.0072 375.9466       150.3046 83.08057 37.76878 101.3596 25.35166 -18.27900      45.48832 
1 1 1 -16 39 13 f 114.5927 22.30230 457.8236       144.4898 459.9758       414.5659 457.5261       154.1559 96.05445 41.17250 113.1622 23.97429 -17.10772      47.64391 
1 1 1 -16 39 14 o 94.91043 24.30965 327.7568       135.8981 642.7740       421.2145 291.1559       143.5760 106.4984 43.21628 88.20028 25.99476 18.29807       50.43188 
1 1 1 -16 39 15 o 53.91378 23.30521 34.84300       134.9902 125.5055       410.6077 23.85667       142.9353 79.24036 36.79607 53.97600 23.64631 25.26436       43.73899 
1 1 1 -16 39 16 o 62.56913 24.96499 112.9221       138.0317 903.2132       421.4893 17.98401       146.0875 124.2444 44.98066 53.79451 23.72410 70.44984       50.85364 
1 1 1 -16 39 17 o 74.70131 26.08990 205.6580       140.6270 245.0185       426.5399 200.8579       148.9554 83.52283 38.32306 74.01476 26.74760 9.508080       46.73426 
1 1 1 -16 39 18 o 143.6237 21.88499 719.9447       178.5242 0.000000       0.000000 719.9447       178.5242 ?        ?        143.6237 21.88499 0.000000       21.88499 
1 1 1 -16 39 19 o 55.70544 24.36950 37.60461       151.3381 -226.8962      464.9516 68.94788       160.0539 69.16218 33.88852 59.45412 25.53508 9.708054       42.43197 
1 1 1 -16 39 20 o 62.77063 25.97756 108.1655       156.0243 -116.0650      478.1793 134.8824       165.0579 72.22459 35.16585 66.14662 26.97421 6.077965       44.31981 
1 1 1 -16 39 21 o 65.17754 27.41452 118.0534       177.9600 0.000000       0.000000 118.0534       177.9600 ?        ?        65.17754 27.41452 0.000000       27.41452 
1 1 1 -16 39 22 o 68.48095 28.69143 148.7964       193.7451 0.000000       0.000000 148.7964       193.7451 ?        ?        68.48095 28.69143 0.000000       28.69143 
1 1 1 -16 40 1  o 95.83070 29.41615 355.1332       181.1416 305.2764       354.2450 372.7849       210.7830 88.83186 38.06769 96.19075 31.97375 -7.358887      49.71388 
1 1 1 -16 40 2  o 72.56723 26.84457 179.4838       151.3637 590.9884       363.8512 93.36533       166.4504 108.8532 41.33590 63.86251 26.66339 44.99068       49.18936 
1 1 1 -16 40 3  o 48.21429 22.41603 -78.65800      153.1018 -276.5818      384.4523 -41.35313      166.9077 65.56443 31.83329 52.83249 24.14021 12.73195       39.95132 
1 1 1 -16 40 4  o 60.51255 25.47624 72.99447       153.9131 -153.4815      380.6562 117.2569       168.2827 69.00935 33.03908 66.30953 27.16159 2.699814       42.77070 
1 1 1 -16 40 5  o 47.02932 22.05141 -97.10651      153.3663 649.9344       408.0446 -220.0007      165.5012 110.0634 43.23544 42.75013 20.78616 67.31322       47.97257 
1 1 1 -16 40 6  o 71.88486 26.64079 176.9672       149.1967 433.6228       402.2508 136.0269       160.6561 95.76878 40.78940 67.54694 26.93926 28.22184       48.88250 
1 1 1 -16 40 7  o 80.56812 26.75243 240.2077       147.5714 382.3754       415.0721 219.6372       157.8870 92.48894 40.41209 77.54855 27.59581 14.94039       48.93533 
1 1 1 -16 40 8  o 65.11491 25.72296 126.1284       145.1553 257.7110       408.8648 107.1520       155.2698 85.85474 38.64864 63.79174 26.10567 22.06300       46.63929 
1 1 1 -16 40 9  o 45.27502 21.21146 -89.29720      141.4133 -581.9197      410.4758 -22.95508      150.6347 59.45201 29.61114 51.39996 23.26839 8.052055       37.65949 
1 1 1 -16 40 10 o 87.80647 25.81122 287.3392       141.7111 -44.79564      399.9518 335.0228       151.5426 72.83039 34.58661 94.44718 26.35987 -21.61679      43.48651 
1 1 1 -16 40 11 o 74.73195 26.33787 202.4279       143.5287 513.6181       373.0741 148.3676       155.4966 99.82491 40.61129 68.12447 26.71110 31.70044       48.60823 
1 1 1 -16 40 12 f 136.6430 18.74818 620.9722       146.2869 521.2811       376.2634 638.7245       158.7785 99.84522 40.72263 137.2339 20.34289 -37.38865      45.52105 
1 1 1 -16 40 13 o 60.33602 24.72782 92.72167       139.5696 231.4417       371.1696 69.87708       150.6241 82.27458 36.94816 59.07684 25.05311 23.19774       44.64107 
1 1 1 -16 40 14 o 102.8139 24.29553 386.6667       144.1590 144.7701       360.3836 432.7464       157.2915 77.29317 35.37537 108.0773 25.26982 -30.78416      43.47391 
1 1 1 -16 40 15 o 117.6268 22.25321 488.3063       147.8932 379.1893       337.1734 514.3009       164.5691 89.47000 37.68961 118.7339 24.44803 -29.26389      44.92452 
1 1 1 -16 40 16 o 70.71947 25.88201 179.8425       140.0833 64.80472       322.4240 206.6101       155.5295 71.21827 32.90836 74.41549 27.26567 -3.197220      42.73613 
1 1 1 -16 40 17 o 116.7154 24.88419 503.6098       165.1285 809.6591       313.5502 386.1487       194.2488 128.6328 38.54054 95.89759 30.61477 32.73516       49.22030 
1 1 1 -16 40 18 o 50.73000 23.57178 -60.10796      168.9113 -237.4197      324.2647 5.920706       197.8779 59.61292 29.01022 58.40302 26.52978 1.209900       39.31186 
1 1 1 -16 40 19 o 107.5081 25.95497 441.0027       161.7756 270.0385       391.1915 476.2730       177.6810 81.93058 37.25039 110.1241 27.57531 -28.19356      46.34641 
1 1 1 -16 41 1  o 47.79484 22.76393 -144.2876      175.8194 586.0392       370.6089 -356.3932      199.7254 106.0960 41.34237 42.91527 21.25076 63.18072       46.48426 
1 1 1 -16 41 2  o 105.0431 25.37471 404.3541       154.5531 671.7205       384.3083 352.7695       168.8054 111.6820 42.46514 95.61469 28.18797 16.06732       50.96911 
1 1 1 -16 41 3  o 241.0604 13.25983 1808.552       186.7404 2619.247       427.8705 1617.794       207.5510 265.9953 27.83945 225.2403 15.81234 40.75500       32.01664 
1 1 1 -16 41 4  o 74.50403 28.96166 193.6852       181.5276 0.000000       0.000000 193.6852       181.5276 ?        ?        74.50403 28.96166 0.000000       28.96166 
1 1 1 -16 41 5  o 116.4266 24.97388 491.7856       165.4127 692.9697       398.0704 449.7968       181.8568 111.6758 43.02908 107.9845 28.35751 3.691322       51.53300 
1 1 1 -16 41 6  o 70.90134 26.92353 171.8089       154.3575 186.1521       394.2426 169.2121       167.7496 81.48305 37.18144 71.12962 27.78631 10.35343       46.41701 
1 1 1 -16 41 7  f 114.1703 24.26418 469.6331       157.4555 33.08106       384.5785 557.5483       172.5834 74.53716 34.93977 124.4528 24.51778 -49.91563      42.68382 
1 1 1 -16 41 8  o 44.95450 21.33632 -121.4004      151.7770 -376.5936      359.8034 -66.16106      167.3998 59.63321 29.33802 50.68018 23.52033 8.953033       37.60220 
1 1 1 -16 41 9  o 115.1041 24.55041 481.6790       160.6706 746.0732       360.0055 415.9171       179.5437 117.9978 41.70128 102.7415 28.69834 15.25632       50.62205 
1 1 1 -16 41 10 o 47.40468 22.01598 -66.38873      147.0744 -140.8066      334.8750 -48.60377      163.7082 64.34572 30.85475 51.10090 23.55412 13.24482       38.81768 
1 1 1 -16 41 11 o 47.73598 22.07672 -56.73254      145.5639 116.2110       341.2846 -95.19002      160.9366 74.92022 34.34016 47.71351 22.44049 27.20671       41.02221 
1 1 1 -16 41 12 o 103.7200 25.12829 400.7599       151.2257 -9.504792      348.6755 495.8149       167.8328 69.70622 32.86009 115.4683 25.46860 -45.76212      41.57445 
1 1 1 -16 41 13 o 68.82542 25.74817 165.7686       140.0008 523.5547       328.5117 86.36735       154.7578 100.0435 38.94071 60.65391 25.54148 39.38964       46.56981 
1 1 1 -16 41 14 o 46.27555 21.62101 -75.79227      145.2654 131.9902       321.3601 -129.1526      162.8534 74.27016 33.76548 45.97052 21.89881 28.29963       40.24507 
1 1 1 -16 41 15 o 85.88735 27.08008 288.9405       152.3908 -200.7413      297.8812 462.5295       177.3566 58.60316 28.35042 108.6556 27.74011 -50.05246      39.66434 
1 1 1 -16 41 16 o 101.9194 26.04088 398.1242       156.2083 63.00137       283.5417 544.1616       187.1746 68.29587 31.30263 118.2586 27.50808 -49.96269      41.67192 
1 1 1 -16 42 1  o 68.32122 27.35300 148.2718       166.2732 98.27015       387.2452 159.5739       184.1084 76.58733 35.62188 70.41776 28.57277 6.169571       45.66532 
1 1 1 -16 42 2  o 73.15784 27.75431 191.8129       163.9372 710.7986       398.0605 85.80672       179.9024 110.9691 42.95579 63.24700 27.11648 47.72208       50.79866 
1 1 1 -16 42 3  o 52.29505 23.90187 -31.21539      163.7901 -403.4278      388.8153 49.08541       180.5959 60.92247 30.07239 60.24648 26.48063 0.6759911      40.06960 
1 1 1 -16 42 4  o 53.03959 23.73780 1.678135       151.7778 548.5300       367.3180 -110.9146      166.6720 100.8003 40.55193 47.75721 22.57536 53.04309       46.41235 
1 1 1 -16 42 5  o 125.3558 23.74372 564.0295       168.1707 1004.611       381.8730 458.0257       187.3123 137.6518 42.79004 107.3297 29.05290 30.32214       51.72097 
1 1 1 -16 42 6  o 52.40607 23.71241 -13.70893      156.2142 91.85371       362.4152 -37.79706      173.1222 74.79668 34.67628 53.01512 24.35822 21.78156       42.37650 
1 1 1 -16 42 7  o 58.85575 25.29396 63.32701       157.2314 -129.3015      338.7281 116.2305       177.5142 64.76856 31.05069 65.52724 27.45926 -0.7586746     41.45065 
1 1 1 -16 42 8  o 90.75022 27.16522 320.7426       155.8293 432.3402       313.9229 284.2529       179.5067 93.77274 37.57009 84.06866 29.46843 9.704079       47.74830 
1 1 1 -16 42 9  o 77.11473 27.57311 226.8878       157.8129 269.8481       310.2461 211.8919       183.2985 82.07576 35.40415 75.33581 29.15275 6.739952       45.86214 
1 1 1 -16 42 10 o 50.87545 23.16763 -24.54488      152.0719 -156.8240      303.2231 19.90645       175.7757 60.79957 29.20814 57.17000 25.56893 3.629570       38.81863 
1 1 1 -16 42 11 o 74.96419 27.44147 211.8133       157.4856 73.23997       315.8932 257.6461       181.6724 71.07867 32.74688 80.39725 29.46648 -9.318588      44.05260 
1 1 1 -16 42 12 o 42.95649 20.75970 -174.5204      158.7022 -369.1148      332.9156 -117.2953      180.5354 56.55960 27.90148 49.07413 23.28533 7.485470       36.34143 
1 1 1 -16 42 13 o 80.41853 27.66014 255.9555       157.7943 286.8420       339.3081 247.4324       178.2410 82.19009 36.20506 78.71046 29.12814 3.479630       46.46779 
1 1 1 -16 43 1  o 71.92119 28.13415 182.1295       172.1702 509.7797       420.0729 115.9771       188.7522 95.68113 41.23429 66.25595 28.06918 29.42518       49.88131 
1 1 1 -16 43 2  o 70.51710 28.95044 161.3099       191.7281 458.6462       426.7603 86.11980       214.6053 92.70323 40.72801 65.73415 28.88048 26.96908       49.92848 
1 1 1 -16 43 3  o 62.48355 26.86683 83.47705       177.5661 317.2833       380.0222 18.17426       200.8384 85.50952 37.95957 59.76922 26.98028 25.74030       46.57107 
1 1 1 -16 43 4  o 68.77055 27.37087 157.3573       165.5099 766.9088       374.5750 9.475565       184.4977 115.9542 42.34081 57.39503 25.88847 58.55914       49.62819 
1 1 1 -16 43 5  o 138.9788 23.14692 689.1168       182.0327 232.1456       363.0915 842.5336       210.3818 80.57675 36.33370 152.5006 24.34042 -71.92387      43.73322 
1 1 1 -16 43 6  o 57.63190 24.96911 54.86342       155.6612 -2.769913      317.1724 73.14964       178.6572 67.61273 31.70555 61.46920 26.69010 6.143528       41.44398 
1 1 1 -16 43 7  o 69.70013 27.38179 169.2441       163.6736 71.71666       331.6898 200.6354       188.1799 71.48272 33.15163 73.76905 29.24175 -2.286331      44.20533 
1 1 1 -16 43 8  o 50.89086 23.49800 -44.72057      163.9461 262.0699       328.6255 -146.3771      189.1681 80.80077 35.61034 48.73313 23.32064 32.06763       42.56699 
1 1 1 -15 0  1  o 769.3741 19.07542 17421.72       859.5253 17421.72       859.5253 17421.72       859.5253 769.3741 19.07542 769.3741 19.07542 -0.000000      0.000000 
1 1 1 -15 0  2  o 676.3126 17.42624 13460.03       690.1597 13460.03       690.1597 13460.03       690.1597 676.3126 17.42624 676.3126 17.42624 -0.000000      0.000000 
1 1 1 -15 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  4  o 458.5522 14.85902 6192.346       398.6523 6192.346       398.6523 6192.346       398.6523 458.5522 14.85902 458.5522 14.85902 0.000000       0.000000 
1 1 1 -15 0  5  o 259.0093 16.43130 1993.604       247.2646 1993.604       247.2646 1993.604       247.2646 259.0093 16.43130 259.0093 16.43130 0.000000       0.000000 
1 1 1 -15 0  6  f 1158.926 26.96898 39601.79       1830.793 39601.79       1830.793 39601.79       1830.793 1158.926 26.96898 1158.926 26.96898 -0.000000      0.000000 
1 1 1 -15 0  7  o 468.4414 15.01645 6462.437       411.5856 6462.437       411.5856 6462.437       411.5856 468.4414 15.01645 468.4414 15.01645 -0.000000      0.000000 
1 1 1 -15 0  8  f 35.90326 25.49291 -307.1328      227.9194 -307.1328      227.9194 -307.1328      227.9194 35.90326 25.49291 35.90326 25.49291 0.000000       0.000000 
1 1 1 -15 0  9  o 438.0771 14.51006 5652.903       371.8676 5652.903       371.8676 5652.903       371.8676 438.0771 14.51006 438.0771 14.51006 -0.000000      0.000000 
1 1 1 -15 0  10 o 581.3040 15.76610 9945.566       536.6055 9945.566       536.6055 9945.566       536.6055 581.3040 15.76610 581.3040 15.76610 -0.000000      0.000000 
1 1 1 -15 0  11 o 187.7800 20.48671 1072.978       218.8035 1072.978       218.8035 1072.978       218.8035 187.7800 20.48671 187.7800 20.48671 0.000000       0.000000 
1 1 1 -15 0  12 o 419.5782 13.53332 5184.675       332.2325 5184.675       332.2325 5184.675       332.2325 419.5782 13.53332 419.5782 13.53332 -0.000000      0.000000 
1 1 1 -15 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  14 f 1274.875 29.35333 48051.45       2192.075 48051.45       2192.075 48051.45       2192.075 1274.875 29.35333 1274.875 29.35333 0.000000       0.000000 
1 1 1 -15 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  17 o 83.16621 28.35625 264.1852       124.0505 264.1852       124.0505 264.1852       124.0505 83.16621 28.35625 83.16621 28.35625 -0.000000      0.000000 
1 1 1 -15 0  18 o 561.4145 14.48030 9283.793       476.0563 9283.793       476.0563 9283.793       476.0563 561.4145 14.48030 561.4145 14.48030 0.000000       0.000000 
1 1 1 -15 0  19 o 35.30226 22.78081 -1.035608      109.6461 -1.035608      109.6461 -1.035608      109.6461 35.30226 22.78081 35.30226 22.78081 -0.000000      0.000000 
1 1 1 -15 0  20 o 18.72478 13.73439 -264.9684      99.04105 -264.9684      99.04105 -264.9684      99.04105 18.72478 13.73439 18.72478 13.73439 -0.000000      0.000000 
1 1 1 -15 0  21 o 27.31034 18.81850 -74.54202      99.95021 -74.54202      99.95021 -74.54202      99.95021 27.31034 18.81850 27.31034 18.81850 0.000000       0.000000 
1 1 1 -15 0  22 o 78.28944 26.62811 234.5662       109.5717 234.5662       109.5717 234.5662       109.5717 78.28944 26.62811 78.28944 26.62811 0.000000       0.000000 
1 1 1 -15 0  23 o 523.0732 13.65812 8070.114       418.3445 8070.114       418.3445 8070.114       418.3445 523.0732 13.65812 523.0732 13.65812 0.000000       0.000000 
1 1 1 -15 0  24 o 193.8409 11.67987 1117.089       131.6653 1117.089       131.6653 1117.089       131.6653 193.8409 11.67987 193.8409 11.67987 0.000000       0.000000 
1 1 1 -15 0  25 o 64.51246 27.14173 174.6760       103.3496 174.6760       103.3496 174.6760       103.3496 64.51246 27.14173 64.51246 27.14173 -0.000000      0.000000 
1 1 1 -15 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  28 o 134.4361 16.89206 558.1945       127.4887 558.1945       127.4887 558.1945       127.4887 134.4361 16.89206 134.4361 16.89206 -0.000000      0.000000 
1 1 1 -15 0  29 o 316.6906 11.56825 2962.907       214.2075 2962.907       214.2075 2962.907       214.2075 316.6906 11.56825 316.6906 11.56825 0.000000       0.000000 
1 1 1 -15 0  30 o 150.5420 15.85548 690.6220       136.0951 690.6220       136.0951 690.6220       136.0951 150.5420 15.85548 150.5420 15.85548 -0.000000      0.000000 
1 1 1 -15 0  31 o 139.4563 16.10336 596.7006       127.1448 596.7006       127.1448 596.7006       127.1448 139.4563 16.10336 139.4563 16.10336 -0.000000      0.000000 
1 1 1 -15 0  32 o 26.31123 18.60219 -142.7988      116.9735 -142.7988      116.9735 -142.7988      116.9735 26.31123 18.60219 26.31123 18.60219 0.000000       0.000000 
1 1 1 -15 0  33 o 39.76629 24.91029 28.75627       120.0941 28.75627       120.0941 28.75627       120.0941 39.76629 24.91029 39.76629 24.91029 -0.000000      0.000000 
1 1 1 -15 0  34 o 142.7298 16.79173 628.1312       135.4633 628.1312       135.4633 628.1312       135.4633 142.7298 16.79173 142.7298 16.79173 0.000000       0.000000 
1 1 1 -15 0  35 o 70.92352 30.13498 215.3692       127.1818 215.3692       127.1818 215.3692       127.1818 70.92352 30.13498 70.92352 30.13498 -0.000000      0.000000 
1 1 1 -15 0  36 o 232.4187 12.66470 1610.386       171.4507 1610.386       171.4507 1610.386       171.4507 232.4187 12.66470 232.4187 12.66470 -0.000000      0.000000 
1 1 1 -15 0  37 o 47.35210 27.06701 90.52690       118.4175 90.52690       118.4175 90.52690       118.4175 47.35210 27.06701 47.35210 27.06701 -0.000000      0.000000 
1 1 1 -15 0  38 o 271.6451 10.56482 2190.141       167.7326 2190.141       167.7326 2190.141       167.7326 271.6451 10.56482 271.6451 10.56482 0.000000       0.000000 
1 1 1 -15 0  39 o 311.0493 9.854741 2868.614       179.3642 2868.614       179.3642 2868.614       179.3642 311.0493 9.854741 311.0493 9.854741 0.000000       0.000000 
1 1 1 -15 0  40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  41 o 111.2068 23.98074 426.5291       137.2198 426.5291       137.2198 426.5291       137.2198 111.2068 23.98074 111.2068 23.98074 -0.000000      0.000000 
1 1 1 -15 0  42 o 66.58366 30.55106 206.5381       130.3834 206.5381       130.3834 206.5381       130.3834 66.58366 30.55106 66.58366 30.55106 0.000000       0.000000 
1 1 1 -15 0  43 o 126.3802 20.03136 523.9692       137.3193 523.9692       137.3193 523.9692       137.3193 126.3802 20.03136 126.3802 20.03136 0.000000       0.000000 
1 1 1 -15 0  44 o 47.70472 28.66945 92.12198       144.6089 92.12198       144.6089 92.12198       144.6089 47.70472 28.66945 47.70472 28.66945 -0.000000      0.000000 
1 1 1 -15 0  45 o 133.3223 21.90335 595.3186       157.3869 595.3186       157.3869 595.3186       157.3869 133.3223 21.90335 133.3223 21.90335 0.000000       0.000000 
1 1 1 -15 0  46 o 45.87804 28.05170 81.79890       143.5826 81.79890       143.5826 81.79890       143.5826 45.87804 28.05170 45.87804 28.05170 0.000000       0.000000 
1 1 1 -15 0  47 o 46.27931 28.57586 81.37820       152.4170 81.37820       152.4170 81.37820       152.4170 46.27931 28.57586 46.27931 28.57586 0.000000       0.000000 
1 1 1 -15 0  48 o 70.65241 33.97165 259.0299       162.7169 259.0299       162.7169 259.0299       162.7169 70.65241 33.97165 70.65241 33.97165 -0.000000      0.000000 
1 1 1 -15 0  49 o 113.7773 28.46133 490.5984       164.2916 490.5984       164.2916 490.5984       164.2916 113.7773 28.46133 113.7773 28.46133 -0.000000      0.000000 
1 1 1 -15 1  1  f 547.2246 12.51968 8795.121       401.7995 9211.805       702.1386 8592.228       489.9525 558.7717 21.46576 540.4299 15.47432 18.34186       26.46193 
1 1 1 -15 1  2  o 814.2719 13.99103 19481.61       668.1432 19387.87       942.9335 19576.14       946.8734 811.4986 19.81266 815.4316 19.79948 -3.932983      28.01002 
1 1 1 -15 1  3  o 882.0004 21.12170 22916.24       1092.567 23207.19       1561.160 22636.94       1529.571 885.0007 30.12221 874.1198 29.88045 10.88092       42.42863 
1 1 1 -15 1  4  o 1377.221 22.41238 55909.66       1810.265 57477.42       2625.190 54488.27       2499.625 1392.583 32.14319 1356.206 31.42669 36.37720       44.95355 
1 1 1 -15 1  5  o 1045.393 17.34764 32148.04       1063.581 33272.52       1546.121 31137.93       1465.386 1061.762 24.82937 1027.273 24.32292 34.48914       34.75776 
1 1 1 -15 1  6  o 94.59744 27.60701 269.4269       162.6234 133.0562       229.0251 408.1061       230.9554 83.98384 32.56287 115.7577 32.62599 -31.77383      46.09550 
1 1 1 -15 1  7  o 267.8474 12.13021 2111.438       190.0544 1834.532       255.8553 2452.324       283.8787 249.0830 17.62847 288.2507 16.86605 -39.16771      24.39727 
1 1 1 -15 1  8  o 616.7858 11.62424 11172.41       420.4839 11025.26       587.5481 11326.90       602.0243 612.0369 16.38348 620.3337 16.56254 -8.296753      23.29669 
1 1 1 -15 1  9  o 395.8766 10.34213 4604.409       239.9099 4458.525       332.8047 4762.234       346.1568 389.1753 14.60714 402.2204 14.69905 -13.04507      20.72271 
1 1 1 -15 1  10 o 417.0864 10.22754 5107.644       250.1771 5181.104       352.5794 5033.154       355.0412 419.5755 14.34947 413.5009 14.66357 6.074554       20.51652 
1 1 1 -15 1  11 o 360.7078 9.857244 3822.851       208.3312 3930.840       296.8131 3717.990       292.4841 365.4218 13.87483 355.3571 14.06193 10.06473       19.75472 
1 1 1 -15 1  12 o 271.0789 10.29127 2160.957       163.3149 2303.408       232.1607 2021.409       229.7820 279.5361 14.20780 261.7323 15.03277 17.80374       20.68443 
1 1 1 -15 1  13 o 767.1032 13.14722 17297.55       591.4777 17108.40       829.4491 17493.25       843.6840 761.9786 18.56079 770.4791 18.67104 -8.500488      26.32699 
1 1 1 -15 1  14 o 703.3448 17.47705 14574.88       720.9195 14816.44       1034.042 14346.41       1005.620 706.9905 24.97796 695.7602 24.68384 11.23029       35.11681 
1 1 1 -15 1  15 o 382.5977 11.68214 4306.533       261.8220 4514.872       376.0351 4110.493       364.7664 391.1356 16.42929 373.1346 16.71099 18.00092       23.43456 
1 1 1 -15 1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 1  17 o 256.2630 8.243269 1930.498       123.7287 1964.413       174.7810 1896.430       175.1773 258.1989 11.57163 253.6570 11.80793 4.541824       16.53269 
1 1 1 -15 1  18 o 557.0102 10.12621 9120.213       330.7964 9046.076       465.6656 9195.735       469.9980 553.8802 14.34741 558.4429 14.36241 -4.562683      20.30091 
1 1 1 -15 1  19 f 218.6247 8.316832 1406.200       106.4425 1527.611       156.2953 1301.179       145.3633 227.5218 11.75295 209.9229 11.85532 17.59886       16.69372 
1 1 1 -15 1  20 o 302.8444 7.711352 2695.990       136.8507 2699.051       196.3298 2693.098       190.8585 302.6248 11.08064 302.3308 10.78138 0.2940063      15.46023 
1 1 1 -15 1  21 o 253.2539 7.954926 1886.639       118.0059 1801.137       166.6330 1972.661       167.1394 247.0133 11.53429 258.6005 11.04588 -11.58723      15.97033 
1 1 1 -15 1  22 o 315.3931 7.775178 2923.549       143.8179 3077.382       210.0701 2787.840       197.3079 323.0160 11.10545 307.4499 10.96011 15.56613       15.60305 
1 1 1 -15 1  23 o 262.0648 7.712032 2020.552       118.4010 2047.444       167.0625 1993.412       167.8287 263.3841 10.83846 259.8483 11.03789 3.535767       15.46956 
1 1 1 -15 1  24 o 69.37543 17.72866 148.5545       72.39279 98.38859       101.3047 200.9059       103.4879 61.77016 22.09112 80.53907 21.50532 -18.76891      30.83012 
1 1 1 -15 1  25 o 318.3272 7.705745 2980.058       143.8596 2911.689       202.3655 3049.909       204.5486 313.9940 11.00618 321.3973 10.86748 -7.403351      15.46733 
1 1 1 -15 1  26 o 392.4237 12.50156 4556.465       287.3528 4618.908       412.2001 4497.430       400.7963 393.2658 17.91901 388.1535 17.65257 5.112305       25.15361 
1 1 1 -15 1  27 o 236.1586 9.986569 1646.870       138.0032 1489.127       185.9932 1840.083       205.8453 223.7203 14.24965 248.8024 14.16557 -25.08214      20.09269 
1 1 1 -15 1  28 o 406.6031 12.96659 4895.519       308.8100 4393.137       411.3568 5544.246       467.4470 383.2757 18.35358 430.5776 18.55457 -47.30191      26.09839 
1 1 1 -15 1  29 o 205.8081 10.77295 1252.919       129.5785 1377.335       184.8214 1132.643       181.7211 215.0248 14.74517 194.5962 16.06585 20.42865       21.80669 
1 1 1 -15 1  30 o 218.1341 10.68854 1407.137       136.3227 1503.287       196.5059 1317.933       189.2761 224.5852 15.00523 210.1116 15.46858 14.47359       21.55073 
1 1 1 -15 1  31 o 248.1273 8.396910 1814.767       122.0165 1745.826       169.6231 1888.693       175.6493 242.7162 11.95291 252.4871 11.89541 -9.770874      16.86336 
1 1 1 -15 1  32 o 135.0086 11.90629 543.4131       93.30825 611.0919       139.4241 488.5116       125.5753 142.0758 17.07451 126.7490 17.34783 15.32678       24.34104 
1 1 1 -15 1  33 o 221.5236 8.964649 1449.747       116.2267 1630.225       170.1227 1291.774       159.1628 234.1499 12.43304 208.1915 13.10195 25.95842       18.06215 
1 1 1 -15 1  34 o 300.8863 8.485607 2672.428       149.5898 2583.825       210.5538 2762.732       212.5643 294.8110 12.20419 304.9617 11.90776 -10.15063      17.05101 
1 1 1 -15 1  35 o 154.9778 12.17095 717.7844       109.7358 647.0482       171.3023 767.0142       142.9079 144.4854 20.81545 159.3372 15.48804 -14.85185      25.94537 
1 1 1 -15 1  36 o 85.95911 22.99067 235.8472       118.1557 441.1459       251.4903 177.6949       133.8479 114.6730 34.55231 76.67011 25.47878 38.00285       42.93053 
1 1 1 -15 1  37 f 54.51734 20.97665 65.29855       94.51113 -247.6541      263.1199 111.6570       101.2696 59.82219 28.30433 62.97740 22.12928 -3.155216      35.92827 
1 1 1 -15 1  38 f 345.2188 7.759060 3523.745       157.0920 3760.853       209.8814 3221.698       236.8850 355.5035 10.07669 327.8131 12.34347 27.69040       15.93427 
1 1 1 -15 1  39 o 290.6155 7.422443 2501.098       126.4040 2667.272       184.4143 2353.842       173.5998 298.6437 10.54564 280.5136 10.57115 18.13004       14.93184 
1 1 1 -15 1  40 o 82.63209 18.32772 220.4848       86.49255 174.2108       127.0228 260.4873       118.1017 73.62167 24.82621 88.32961 22.68204 -14.70794      33.62760 
1 1 1 -15 1  41 o 62.06787 20.39545 121.2820       85.84300 190.0996       122.4764 54.83073       120.3522 75.58778 24.32764 55.89753 22.94155 19.69025       33.43873 
1 1 1 -15 1  42 o 105.0907 15.99271 349.8261       95.46368 218.0835       127.2218 519.5942       144.4197 79.69312 24.68585 125.9734 20.23261 -46.28033      31.91786 
1 1 1 -15 1  43 o 59.04544 21.98687 100.9482       101.8497 132.0376       143.4749 69.36663       144.6063 67.00011 25.82816 59.89917 24.91809 7.100941       35.88879 
1 1 1 -15 1  44 o 87.09451 20.05923 256.4731       100.3458 69.28515       147.4759 417.8487       136.9308 59.82303 25.04588 110.5691 21.89112 -50.74612      33.26435 
1 1 1 -15 1  45 o 61.37564 22.08681 119.9856       101.4381 196.4286       138.7830 32.30631       148.6333 74.38937 25.92238 55.91433 24.31063 18.47505       35.53838 
1 1 1 -15 1  46 f 58.69215 22.03004 105.0307       102.6642 232.6127       136.2005 -62.83426      156.2298 79.23222 25.66778 49.26772 22.81526 29.96450       34.34198 
1 1 1 -15 1  47 o 40.97738 18.89953 -50.79309      105.6325 -32.70524      152.8035 -67.34906      146.1898 50.56282 23.10109 47.15576 21.91719 3.407059       31.84373 
1 1 1 -15 1  48 o 59.55724 23.25561 107.2952       117.4633 119.1687       165.2970 95.18273       166.9519 64.45637 26.71253 62.27603 26.39148 2.180336       37.55089 
1 1 1 -15 1  49 o 53.21495 24.29097 -15.78957      168.4582 0.000000       0.000000 -15.78957      168.4582 ?        ?        53.21495 24.29097 0.000000       24.29097 
1 1 1 -15 2  1  o 1057.294 20.21727 32916.95       1253.629 33362.59       2183.806 32697.91       1531.027 1059.408 35.19683 1052.668 24.79939 6.740112       43.05608 
1 1 1 -15 2  2  o 639.6603 11.88729 12015.67       445.9467 11731.19       621.0703 12318.43       640.7161 631.3679 16.78778 646.9727 16.90056 -15.60474      23.82139 
1 1 1 -15 2  3  o 1653.702 37.99953 81388.96       3685.413 82286.58       5260.719 80523.86       5164.534 1649.257 54.46308 1631.869 54.03744 17.38867       76.72204 
1 1 1 -15 2  4  o 1606.805 25.94777 76241.34       2445.196 78548.09       3545.255 74148.41       3376.940 1624.954 37.20112 1579.232 36.46085 45.72131       52.08951 
1 1 1 -15 2  5  o 1806.885 29.10194 96596.40       3083.920 95601.25       4323.081 97627.55       4400.596 1789.589 41.18978 1808.217 41.49641 -18.62756      58.46836 
1 1 1 -15 2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 2  8  o 419.4660 10.50435 5169.235       258.2111 5191.403       359.0298 5145.484       371.6271 420.0007 14.59791 418.0753 15.18183 1.925354       21.06150 
1 1 1 -15 2  9  o 601.0765 11.52913 10610.96       406.4216 10652.83       575.6808 10569.35       573.8574 601.5720 16.33224 599.2067 16.34491 2.365234       23.10624 
1 1 1 -15 2  10 o 62.40396 25.44579 42.75045       146.8674 18.69646       197.3869 72.58365       219.8238 68.71738 28.88588 76.97334 31.22559 -8.255966      42.53742 
1 1 1 -15 2  11 o 787.9021 13.55503 18246.57       626.3589 18761.33       904.9327 17773.14       867.8416 797.9742 19.33646 776.7288 19.05112 21.24542       27.14487 
1 1 1 -15 2  12 o 320.9685 9.510672 3027.273       178.8318 2947.322       250.8030 3109.964       255.0637 316.3551 13.54922 324.9958 13.41079 -8.640717      19.06386 
1 1 1 -15 2  13 o 337.1651 8.976737 3339.731       177.3475 3521.351       256.0924 3172.366       245.8364 345.9088 12.64492 328.2826 12.79322 17.62622       17.98779 
1 1 1 -15 2  14 o 774.5695 13.20600 17641.20       599.9045 18581.27       882.2617 16832.79       818.1477 793.7931 18.95132 755.6308 18.46169 38.16229       26.45727 
1 1 1 -15 2  15 o 854.7800 14.34443 21502.49       719.0982 22253.68       1044.202 20824.89       991.7417 867.9585 20.51328 839.7443 20.13729 28.21417       28.74552 
1 1 1 -15 2  16 o 927.7742 31.37869 25752.43       1704.913 0.000000       0.000000 25752.43       1704.913 ?        ?        927.7742 31.37869 0.000000       31.37869 
1 1 1 -15 2  17 o 454.7214 9.046124 6074.067       241.2451 6172.037       346.4973 5981.897       336.0851 457.7734 12.91913 450.6906 12.72786 7.082855       18.13567 
1 1 1 -15 2  18 o 629.7386 11.08247 11663.35       409.3054 11600.51       578.8464 11726.19       578.8442 626.9026 15.75640 630.5086 15.65381 -3.605957      22.21049 
1 1 1 -15 2  19 o 226.8713 8.137295 1513.957       108.0952 1493.739       155.9217 1532.665       149.9900 224.9604 11.86007 227.9538 11.25407 -2.993469      16.34978 
1 1 1 -15 2  20 o 277.0182 7.898332 2256.387       128.1889 2314.457       184.9517 2202.703       177.8310 280.1727 11.27900 273.3355 11.11650 6.837219       15.83642 
1 1 1 -15 2  21 o 113.6489 12.27251 385.0576       80.50346 452.4408       111.2462 310.9771       116.6437 122.7021 15.82732 100.4970 20.48619 22.20511       25.88799 
1 1 1 -15 2  22 o 493.0075 9.260105 7150.470       267.7442 7358.748       386.2294 6957.779       371.4951 499.1315 13.20570 485.3710 13.06242 13.76047       18.57465 
1 1 1 -15 2  23 o 495.6737 9.296945 7230.411       270.2631 7091.464       379.7471 7373.021       384.7208 489.8191 13.23141 499.4807 13.14480 -9.661560      18.65090 
1 1 1 -15 2  24 o 181.0831 8.489133 966.7938       89.90447 894.9708       125.0857 1043.547       129.3076 173.6705 12.36174 187.6898 11.80698 -14.01927      17.09437 
1 1 1 -15 2  25 o 247.4457 7.696970 1802.416       111.5634 1925.152       165.4146 1699.999       151.1038 255.2233 11.07742 239.8584 10.76909 15.36491       15.44935 
1 1 1 -15 2  26 o 414.0711 8.413549 5046.046       204.3171 4991.781       288.5721 5100.594       289.3255 410.8999 11.98760 415.3857 11.88862 -4.485809      16.88319 
1 1 1 -15 2  27 o 320.2639 10.26103 3027.410       192.4814 3168.302       274.0858 2890.311       270.3717 326.6360 14.34274 311.8138 14.82728 14.82224       20.62916 
1 1 1 -15 2  28 o 241.7273 8.234542 1721.509       116.5685 1767.959       166.4597 1676.809       163.2915 244.4039 11.64667 237.9890 11.73540 6.414993       16.53374 
1 1 1 -15 2  29 f 159.3567 10.54217 752.1823       97.97218 690.6923       138.8016 813.2346       138.3069 151.6964 15.83447 165.0308 14.43505 -13.33437      21.42665 
1 1 1 -15 2  30 o 179.7494 9.837887 955.1733       103.3144 948.0846       147.5332 961.9948       144.7245 178.2954 14.22702 179.6867 13.83989 -1.391266      19.84819 
1 1 1 -15 2  31 o 355.4041 8.345276 3718.901       173.9457 3612.482       244.3637 3828.212       247.6622 349.3480 11.94448 359.6915 11.75609 -10.34348      16.75936 
1 1 1 -15 2  32 o 187.7237 9.544571 1042.080       104.7366 993.7908       147.6660 1090.967       148.5780 182.4501 13.90495 191.3445 13.32323 -8.894379      19.25763 
1 1 1 -15 2  33 o 292.7389 8.472813 2528.274       145.3120 2398.884       204.3788 2660.549       206.6443 284.1880 12.29158 299.4634 11.78904 -15.27539      17.03127 
1 1 1 -15 2  34 f 401.5403 8.770876 4757.829       206.5488 4850.141       296.7556 4671.086       287.6646 403.9100 12.54268 396.4438 12.38761 7.466187       17.62872 
1 1 1 -15 2  35 o 38.82674 17.74571 -56.43529      90.27807 -80.02929      132.8415 -36.18686      123.0634 46.99967 21.49822 48.53787 21.57110 -1.538200      30.45465 
1 1 1 -15 2  36 o 249.9968 8.461304 1847.747       123.8785 1693.297       335.0366 1872.206       133.3270 232.1377 25.00294 251.4998 9.053974 -19.36206      26.59175 
1 1 1 -15 2  37 o 270.7324 8.010716 2167.009       127.0528 2043.532       334.8744 2187.771       137.3200 255.8024 22.55238 271.8514 8.623856 -16.04900      24.14499 
1 1 1 -15 2  38 o 215.9987 8.475119 1383.881       107.1529 1592.822       308.6219 1355.241       114.2608 223.3422 23.93449 213.5490 9.144417 9.793198       25.62187 
1 1 1 -15 2  39 o 163.6465 9.632630 800.2645       92.04013 845.7942       125.9075 748.0109       134.8845 167.0147 12.95549 156.1714 14.90753 10.84329       19.75042 
1 1 1 -15 2  40 o 52.76241 21.06170 55.54908       98.28798 142.8467       125.1022 -85.24177      158.8733 68.68073 24.55062 50.35475 23.20785 18.32597       33.78368 
1 1 1 -15 2  41 o 177.5917 9.431992 945.0692       97.88505 898.0171       138.8681 991.5327       137.9968 170.9368 13.97396 180.1273 13.15355 -9.190475      19.19082 
1 1 1 -15 2  42 o 68.91578 20.96926 157.0606       92.31030 100.5130       130.8891 213.0201       130.2065 62.48024 24.50405 78.81097 25.05436 -16.33073      35.04525 
1 1 1 -15 2  43 o 46.75098 19.94221 18.26096       96.40749 122.2689       134.8523 -90.46907      137.8796 65.04288 25.04885 45.24104 21.11344 19.80184       32.76007 
1 1 1 -15 2  44 o 66.42538 21.99797 147.4182       99.79679 235.7411       146.7037 71.34151       136.1540 80.80944 26.66773 58.67786 24.27386 22.13158       36.06089 
1 1 1 -15 2  45 o 80.66917 21.07539 225.6229       100.7879 325.5084       141.7105 123.3766       143.3754 94.42464 25.14371 64.84931 25.58132 29.57533       35.86935 
1 1 1 -15 2  46 o 58.69704 22.50544 101.8639       108.5255 -137.0448      152.7315 345.5025       154.2360 44.27512 21.12351 95.47350 26.57342 -51.19838      33.94627 
1 1 1 -15 2  47 o 65.83035 22.99077 149.5407       109.2015 162.1138       159.0250 138.3216       150.2194 69.29258 27.05831 66.08722 26.14871 3.205360       37.62855 
1 1 1 -15 2  48 o 93.44465 25.34764 331.8827       142.4030 651.9372       279.5927 219.7757       165.4742 116.4857 36.67400 75.69759 28.05595 40.78812       46.17487 
1 1 1 -15 2  49 o 37.18195 18.03368 -157.5226      122.5235 -128.1692      187.1659 -179.5343      162.0781 49.13734 23.42672 43.06006 20.85060 6.077286       31.36174 
1 1 1 -15 3  1  o 678.6511 24.72536 13608.29       982.4564 0.000000       0.000000 13608.29       982.4564 ?        ?        678.6511 24.72536 0.000000       24.72536 
1 1 1 -15 3  2  o 731.9212 18.45383 15774.29       791.5071 0.000000       0.000000 15774.29       791.5071 ?        ?        731.9212 18.45383 0.000000       18.45383 
1 1 1 -15 3  3  o 861.6628 20.96090 21871.64       1059.249 21046.73       1460.622 22786.75       1538.410 842.8452 29.59470 876.9246 29.95695 -34.07941      42.11015 
1 1 1 -15 3  4  o 543.4263 12.58646 8674.149       401.1390 8196.609       645.4716 8974.642       512.0222 527.0723 20.92282 552.2668 15.82477 -25.19452      26.23333 
1 1 1 -15 3  5  o 279.0565 11.66447 2290.817       190.4797 2111.125       255.1762 2516.939       286.2522 267.4395 16.34721 292.0551 16.78286 -24.61563      23.42853 
1 1 1 -15 3  6  o 685.1845 12.57068 13790.55       505.1460 14506.06       735.7000 13152.34       694.8201 701.8928 17.88684 668.3406 17.74224 33.55219       25.19376 
1 1 1 -15 3  7  o 167.4592 17.67664 834.2467       170.9872 1018.914       231.0153 610.5114       254.2804 184.6669 21.74699 140.7862 31.57659 43.88074       38.34074 
1 1 1 -15 3  8  o 126.2815 22.52958 484.3125       160.7353 405.0085       211.6328 592.4183       247.0926 114.9317 30.78232 138.6811 31.14408 -23.74940      43.78932 
1 1 1 -15 3  9  o 450.6635 10.38698 5963.211       274.5314 5940.896       382.0460 5987.037       394.7581 449.3134 14.51731 451.0094 14.94497 -1.695923      20.83517 
1 1 1 -15 3  10 o 514.7308 10.55091 7779.951       318.5080 7909.902       453.4778 7653.426       447.4593 518.4426 14.92992 509.9553 14.97758 8.487305       21.14782 
1 1 1 -15 3  11 o 671.5903 12.00776 13250.71       472.9519 13065.45       661.9409 13443.91       675.9904 666.0491 16.95961 675.6130 17.07419 -9.563843      24.06567 
1 1 1 -15 3  12 o 224.6947 13.43756 1489.392       176.2687 1446.003       366.8569 1502.415       200.9897 218.9122 29.31017 225.4811 15.28936 -6.568985      33.05829 
1 1 1 -15 3  13 o 685.8745 17.17907 13862.58       690.4830 15185.65       1058.271 12881.82       911.1433 715.8721 25.24593 659.7103 23.58753 56.16187       34.55038 
1 1 1 -15 3  14 o 603.1264 10.92145 10687.32       386.3129 11295.37       570.2263 10171.50       525.2044 619.2158 15.71469 587.6621 15.25167 31.55371       21.89897 
1 1 1 -15 3  15 o 397.5854 8.807884 4641.772       205.3773 4645.328       291.3960 4638.262       289.5080 397.2610 12.52276 396.9670 12.45068 0.2939758      17.65896 
1 1 1 -15 3  16 o 1179.959 27.41671 41437.42       1897.285 0.000000       0.000000 41437.42       1897.285 ?        ?        1179.959 27.41671 0.000000       27.41671 
1 1 1 -15 3  17 o 435.6425 8.864493 5574.860       226.4825 5679.939       326.5798 5477.499       314.3589 439.1483 12.69356 431.2821 12.44136 7.866241       17.77397 
1 1 1 -15 3  18 o 406.5417 8.550729 4855.229       203.8726 4863.660       291.0068 4847.103       285.7050 406.3329 12.22545 405.6705 12.02191 0.6624146      17.14607 
1 1 1 -15 3  19 o 226.1012 8.328895 1503.986       110.2549 1480.692       154.7860 1527.979       157.0874 223.9686 11.82594 227.5282 11.81259 -3.559555      16.71497 
1 1 1 -15 3  20 o 381.1335 8.206899 4268.574       183.4453 4161.538       259.6414 4375.262       259.2209 375.7239 11.79759 385.3130 11.48394 -9.589111      16.46402 
1 1 1 -15 3  21 o 352.5148 8.026738 3652.150       165.9460 3523.020       234.3081 3782.110       235.0600 345.6183 11.57586 358.1792 11.20372 -12.56094      16.10975 
1 1 1 -15 3  22 o 450.4874 8.809367 5968.638       232.7437 5940.938       329.8534 5996.103       328.4496 448.5847 12.55027 450.6912 12.43812 -2.106476      17.66963 
1 1 1 -15 3  23 o 154.5366 9.314560 705.3596       84.02789 699.9906       120.4115 710.4561       117.3157 153.3356 13.52843 154.5639 13.06411 -1.228287      18.80663 
1 1 1 -15 3  24 o 106.0443 12.44916 336.5557       75.95174 390.0657       109.4389 286.8343       105.4936 113.3892 16.97863 96.43498 19.32647 16.95419       25.72521 
1 1 1 -15 3  25 o 129.9009 10.64609 500.8620       80.39502 600.4861       116.8478 411.3069       110.7857 141.6989 14.25405 116.5051 16.69006 25.19381       21.94849 
1 1 1 -15 3  26 o 259.6919 7.710287 1985.419       117.3000 1927.594       167.1814 2041.488       164.6228 255.3198 11.19204 262.8607 10.70096 -7.540878      15.48458 
1 1 1 -15 3  27 f 332.8823 7.917702 3260.114       154.5754 3194.223       218.1233 3326.587       219.0852 328.7443 11.33034 335.5360 11.14877 -6.791656      15.89565 
1 1 1 -15 3  28 o 252.3278 8.146909 1875.437       120.4034 1740.115       169.5345 2013.152       171.0276 242.4072 11.96205 260.9258 11.20241 -18.51852      16.38855 
1 1 1 -15 3  29 o 205.2085 9.273513 1242.862       111.3183 1382.329       159.5540 1110.589       155.3844 215.8580 12.65900 193.1769 13.80621 22.68111       18.73130 
1 1 1 -15 3  30 o 231.4943 8.644576 1579.956       117.1577 1582.528       172.1839 1577.739       159.8723 230.9533 12.76173 230.7870 11.85136 0.1662750      17.41598 
1 1 1 -15 3  31 o 264.5695 8.484734 2063.320       131.4821 2187.611       193.6322 1956.982       179.1039 271.6894 12.18318 256.9997 11.91531 14.68967       17.04126 
1 1 1 -15 3  32 o 302.1100 8.428438 2690.839       149.1895 2490.683       213.1515 2883.061       208.8848 289.6876 12.57604 312.0276 11.43400 -22.34009      16.99686 
1 1 1 -15 3  33 o 491.1859 9.585910 7123.175       276.1403 7311.102       400.1255 6952.269       381.5771 495.6484 13.77823 483.4798 13.47029 12.16864       19.26885 
1 1 1 -15 3  34 f 93.09178 17.33804 268.2162       91.17684 125.5797       132.2270 397.5149       125.8931 69.12952 25.16964 113.1505 19.68573 -44.02100      31.95370 
1 1 1 -15 3  35 o 132.2286 12.02826 523.4802       92.25805 361.1168       319.6032 538.2393       96.36006 108.3029 39.17422 134.0088 12.40128 -25.70588      41.09028 
1 1 1 -15 3  36 o 274.7688 7.962527 2229.784       128.1771 2404.209       353.8498 2203.440       137.5163 279.0422 21.79491 272.9773 8.600414 6.064880       23.43043 
1 1 1 -15 3  37 o 79.78443 20.44248 202.9399       96.07697 -161.1165      291.5818 247.2803       101.7598 67.62476 31.26447 88.15038 20.12722 -20.52562      37.18295 
1 1 1 -15 3  38 o 166.5501 12.93800 837.3491       125.3849 426.3822       278.7551 941.5867       140.3885 109.9541 36.77464 176.3784 13.67859 -66.42432      39.23618 
1 1 1 -15 3  39 o 154.7807 12.08235 724.1261       108.8094 281.9232       274.0305 806.8959       118.5561 93.54455 35.78811 163.2771 12.47526 -69.73252      37.90015 
1 1 1 -15 3  40 o 142.3877 10.85147 611.5033       89.93483 636.7260       127.4934 586.5216       126.8829 143.3489 15.40655 137.2035 16.07268 6.145340       22.26416 
1 1 1 -15 3  41 o 128.6795 12.51769 506.2393       93.27536 514.8837       125.2960 495.4934       139.6988 127.5702 17.18359 123.6004 19.95102 3.969818       26.33095 
1 1 1 -15 3  42 o 73.67043 21.67276 182.1562       99.87850 166.1087       148.5594 195.3927       134.9223 72.37946 26.62637 76.02840 25.58637 -3.648941      36.92731 
1 1 1 -15 3  43 o 121.8727 13.67789 462.4922       96.07816 497.5252       137.2115 428.7917       134.5769 122.8546 19.70987 113.0128 21.07971 9.841820       28.85884 
1 1 1 -15 3  44 o 44.11845 19.39834 -4.134767      96.98825 4.548844       129.4383 -15.25199      146.4572 50.92146 22.39892 51.93616 23.27542 -1.014702      32.30258 
1 1 1 -15 3  45 o 60.20781 22.02752 113.0784       101.4533 127.8041       139.2988 96.44342       148.0543 65.04862 25.34649 62.14390 25.46851 2.904720       35.93174 
1 1 1 -15 3  46 o 128.5528 15.08555 528.3785       111.5733 486.8615       162.8459 565.1106       153.1747 115.7233 24.74367 128.2677 21.09462 -12.54436      32.51510 
1 1 1 -15 3  47 o 59.69922 22.74871 109.7904       110.4372 250.3673       173.2661 13.60244       143.3233 80.09069 28.86047 52.77678 23.37641 27.31391       37.14005 
1 1 1 -15 3  48 o 156.9616 13.72906 780.1743       125.1109 645.8455       194.4997 874.9832       163.4026 130.7948 26.26894 162.7884 17.38405 -31.99361      31.50019 
1 1 1 -15 3  49 o 39.73297 19.11201 -138.7591      130.7807 -214.4134      198.9296 -81.17146      173.5590 46.88429 22.79461 49.75222 23.36934 -2.867931      32.64537 
1 1 1 -15 4  1  o 793.7139 15.97447 18522.70       743.6028 18831.73       1280.124 18365.33       913.5318 797.7922 27.40040 789.7847 19.72261 8.007507       33.76038 
1 1 1 -15 4  2  f 731.1428 14.94985 15712.39       641.0464 15416.94       1074.536 15875.64       798.7580 722.2051 25.40898 734.2341 18.56430 -12.02905      31.46823 
1 1 1 -15 4  3  o 1625.391 37.38592 78615.35       3563.825 0.000000       0.000000 78615.35       3563.825 ?        ?        1625.391 37.38592 0.000000       37.38592 
1 1 1 -15 4  4  o 430.0837 14.30085 5441.902       360.2142 5189.652       470.6082 5798.764       559.7492 419.4298 19.18231 443.0678 21.60649 -23.63797      28.89293 
1 1 1 -15 4  5  o 616.7636 13.41246 11176.45       485.1518 10731.88       790.5026 11445.09       614.4902 602.9160 22.39502 623.5602 16.81833 -20.64429      28.00701 
1 1 1 -15 4  6  o 334.0976 11.16259 3281.299       218.4131 3339.160       298.9110 3215.017       319.9240 336.6826 15.17710 330.2055 16.57306 6.477112       22.47244 
1 1 1 -15 4  7  o 230.3850 13.83113 1565.371       186.0192 1696.171       252.4702 1410.039       275.1297 239.3848 18.11755 217.6209 21.85234 21.76387       28.38610 
1 1 1 -15 4  8  o 567.2490 11.24285 9449.466       374.0252 9491.923       524.6778 9405.597       533.3313 567.9014 15.76848 565.2667 16.10409 2.634766       22.53856 
1 1 1 -15 4  9  o 332.4978 10.59076 3249.557       206.2588 3206.662       281.8211 3299.037       302.6828 329.9418 14.60033 334.5786 15.46734 -4.636871      21.26989 
1 1 1 -15 4  10 o 239.9549 11.73432 1695.362       164.6339 1734.360       218.7972 1644.466       249.9566 242.3437 15.47514 235.6240 18.22985 6.719742       23.91250 
1 1 1 -15 4  11 o 1023.045 16.90380 30806.53       1014.214 31227.62       1449.906 30403.09       1419.216 1028.039 24.04804 1014.438 23.85463 13.60132       33.87258 
1 1 1 -15 4  12 o 260.2716 9.697352 1991.776       147.7646 2007.490       208.5685 1975.940       209.3754 260.9536 13.67582 258.8724 13.84111 2.081146       19.45776 
1 1 1 -15 4  13 o 893.3956 17.31628 23510.54       907.2959 22213.79       1061.723 27021.13       1746.922 867.5276 20.86784 952.4427 31.31662 -84.91510      37.63240 
1 1 1 -15 4  14 o 506.8834 9.772870 7546.152       290.5231 7142.807       399.0274 8001.168       423.8157 492.5679 13.82662 521.3397 13.87369 -28.77176      19.58710 
1 1 1 -15 4  15 o 791.1618 19.17728 18479.75       889.8212 18739.88       1282.734 18238.47       1235.395 793.3814 27.61001 782.9638 26.94395 10.41760       38.57835 
1 1 1 -15 4  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 4  17 o 327.0090 8.276153 3142.610       158.5951 3198.016       227.0107 3089.786       221.6596 329.5156 11.76569 323.8940 11.68815 5.621613       16.58446 
1 1 1 -15 4  18 o 498.4627 9.465412 7302.440       276.7087 7410.708       397.0254 7200.175       385.8636 501.3772 13.51448 494.2356 13.32434 7.141632       18.97839 
1 1 1 -15 4  19 o 457.7208 8.963285 6157.613       240.6126 6050.503       339.8403 6265.276       340.7166 453.0074 12.80427 461.0204 12.61336 -8.012970      17.97349 
1 1 1 -15 4  20 o 282.7772 7.823023 2351.180       129.6140 2469.326       189.1868 2246.670       177.9341 289.4001 11.16754 276.0455 11.01287 13.35455       15.68430 
1 1 1 -15 4  21 o 229.5475 8.087155 1550.636       108.7026 1602.951       157.3923 1502.923       150.3095 232.9677 11.55567 225.5858 11.39813 7.381866       16.23117 
1 1 1 -15 4  22 o 313.9805 7.777822 2897.663       143.2225 2967.842       207.8029 2834.161       197.6710 317.1673 11.18906 309.9829 10.89005 7.184357       15.61372 
1 1 1 -15 4  23 o 434.2650 8.662769 5547.684       220.6288 5456.100       311.8932 5639.412       312.1393 429.7786 12.38694 436.9942 12.19121 -7.215546      17.37993 
1 1 1 -15 4  24 o 282.3605 7.658939 2346.017       126.7132 2278.779       178.5931 2414.175       179.8121 277.7728 10.98453 285.9622 10.74069 -8.189392      15.36302 
1 1 1 -15 4  25 f 345.8081 7.973545 3517.727       161.7101 3493.811       231.2040 3540.631       226.2613 343.8618 11.48075 346.2335 11.15727 -2.371674      16.00913 
1 1 1 -15 4  26 o 250.1074 8.832073 1844.018       129.3473 1936.173       166.9527 1705.645       204.5785 255.8937 11.15135 239.4134 14.64005 16.48029       18.40336 
1 1 1 -15 4  27 o 338.4132 10.56072 3381.182       209.3434 3109.021       279.7925 3727.311       315.5316 323.4321 14.78949 354.0547 15.23137 -30.62259      21.23026 
1 1 1 -15 4  28 o 128.4309 11.83237 491.2409       88.12222 494.9690       126.9877 487.7781       122.3869 127.8021 17.39327 126.9796 16.84975 0.8225021      24.21653 
1 1 1 -15 4  29 o 239.8094 8.641053 1695.096       121.3313 1766.100       175.4725 1630.049       167.9512 244.1518 12.29415 234.5435 12.25231 9.608322       17.35699 
1 1 1 -15 4  30 o 225.5841 8.841230 1500.847       116.7427 1692.767       176.2004 1350.675       155.8623 238.9069 12.62034 213.3542 12.51122 25.55270       17.77086 
1 1 1 -15 4  31 o 270.5938 8.419495 2158.241       133.4521 2224.821       195.6315 2100.292       182.5106 273.9691 12.20614 266.2894 11.71515 7.679657       16.91847 
1 1 1 -15 4  32 o 181.4757 9.800750 974.6202       103.9235 986.5172       155.3840 964.9913       139.7899 181.5566 14.71910 179.8763 13.34617 1.680344       19.86887 
1 1 1 -15 4  33 o 555.1730 10.31030 9110.852       335.6992 9104.395       479.6360 9117.052       470.0110 552.4434 14.81719 553.0242 14.50402 -0.5808105     20.73441 
1 1 1 -15 4  34 o 119.6991 13.49392 431.6661       93.07932 536.5137       326.5459 422.3940       97.10784 126.1659 39.62186 118.1980 14.29889 7.967934       42.12304 
1 1 1 -15 4  35 o 234.0596 8.188208 1618.203       112.2268 1406.666       338.7675 1644.280       118.9432 210.1029 28.20458 235.8495 8.613587 -25.74663      29.49055 
1 1 1 -15 4  36 o 152.1287 11.71775 692.0319       103.7406 842.0196       336.7659 676.3066       109.0433 156.0965 37.29711 150.1821 12.49332 5.914459       39.33393 
1 1 1 -15 4  37 o 176.2741 10.49660 926.1706       108.0231 654.2115       326.8032 959.5295       114.4566 135.1429 39.04711 179.3084 10.93604 -44.16553      40.54964 
1 1 1 -15 4  38 o 168.7001 12.70792 858.6080       124.8061 550.8589       297.2461 924.4745       137.5149 122.7618 37.68191 174.7671 13.52161 -52.00524      40.03449 
1 1 1 -15 4  39 o 273.0512 13.69441 2262.998       218.5997 2399.570       343.4926 2170.033       283.3964 274.5402 21.50495 263.7833 18.43481 10.75693       28.32499 
1 1 1 -15 4  40 o 105.4645 13.68666 343.2251       82.66060 308.1155       103.6671 404.5153       136.9695 97.78880 18.75813 110.8105 21.85304 -13.02171      28.79970 
1 1 1 -15 4  41 o 98.79697 15.18809 306.4233       85.18975 305.5412       109.9024 307.7511       134.8388 96.45264 20.08226 94.83213 24.17509 1.620506       31.42821 
1 1 1 -15 4  42 o 55.96700 20.64598 88.16904       89.42369 38.79734       114.9312 163.9100       142.3522 52.73845 22.09713 71.67064 26.11242 -18.93219      34.20734 
1 1 1 -15 4  43 o 116.9236 13.98994 427.3323       94.03125 352.0142       124.7381 526.4662       143.1069 101.8155 21.56192 126.1950 20.00238 -24.37947      29.41108 
1 1 1 -15 4  44 o 113.3577 15.23641 408.3258       98.73144 379.1442       131.8607 445.5618       148.9507 104.9153 22.12771 113.1489 23.22494 -8.233528      32.07856 
1 1 1 -15 4  45 o 94.12340 22.18567 310.5376       120.4522 214.2569       177.4820 392.7516       164.0053 77.07474 28.95809 102.3321 26.95683 -25.25739      39.56313 
1 1 1 -15 4  46 o 103.9219 18.36875 360.9972       107.8596 496.8622       155.5724 235.2437       149.6715 118.2422 23.26317 79.07957 26.94621 39.16263       35.59878 
1 1 1 -15 4  47 o 48.20726 21.13424 11.67872       114.3619 43.11079       170.3610 -14.10417      154.2942 58.47224 25.70942 52.03810 23.55408 6.434147       34.86788 
1 1 1 -15 4  48 o 50.44944 21.34827 42.60603       108.9752 -99.81358      165.1477 152.4448       145.0326 47.75900 22.54470 66.93372 25.92353 -19.17472      34.35539 
1 1 1 -15 4  49 o 93.91904 22.57971 322.2857       122.8333 321.7504       184.1738 322.7146       164.8527 87.11691 29.88574 88.84615 28.18497 -1.729240      41.07980 
1 1 1 -15 5  1  o 655.6893 16.85190 12653.44       647.4967 12546.46       897.3707 12769.64       935.1975 651.7813 23.51428 657.4027 24.29793 -5.621399      33.81288 
1 1 1 -15 5  2  o 487.5521 14.88063 6993.407       424.9953 6948.395       558.7777 7055.180       654.6002 485.3846 19.66994 488.6114 22.90723 -3.226868      30.19351 
1 1 1 -15 5  3  o 780.3782 19.56145 17942.53       894.5699 0.000000       0.000000 17942.53       894.5699 ?        ?        780.3782 19.56145 0.000000       19.56145 
1 1 1 -15 5  4  o 476.7210 12.03604 6678.947       336.2413 6398.356       529.4199 6868.648       435.3091 465.7607 19.42411 483.1135 15.38339 -17.35278      24.77791 
1 1 1 -15 5  5  o 215.1340 14.20089 1366.084       178.1720 1446.018       241.2963 1270.251       264.2058 220.8427 18.80899 206.4038 22.17327 14.43898       29.07631 
1 1 1 -15 5  6  o 352.1514 11.01261 3644.978       227.1622 3699.339       309.0365 3581.081       335.0497 354.4288 14.90047 348.5454 16.43708 5.883392       22.18562 
1 1 1 -15 5  7  o 716.5960 12.96646 15087.36       544.9371 15256.18       774.2426 14921.63       767.1215 719.6614 18.35917 711.7158 18.39379 7.945679       25.98828 
1 1 1 -15 5  8  o 204.1446 14.49895 1231.261       172.4605 1242.355       228.3466 1216.531       263.1265 204.4862 19.26768 201.8277 22.61832 2.658508       29.71249 
1 1 1 -15 5  9  o 256.9436 11.67914 1943.208       175.5344 1901.552       236.4251 1994.375       262.0312 253.7532 15.96757 259.7420 17.29987 -5.988785      23.54249 
1 1 1 -15 5  10 o 610.3944 11.29351 10943.51       404.2871 10872.09       567.1055 11017.32       576.5070 607.6991 15.92572 611.7231 16.08333 -4.024048      22.63410 
1 1 1 -15 5  11 o 404.2948 9.482006 4798.930       224.8272 4706.599       311.3686 4899.507       324.9751 399.9330 13.29355 408.0230 13.59948 -8.089935      19.01747 
1 1 1 -15 5  12 o 497.6918 9.928695 7273.712       289.8032 7162.882       407.1021 7387.578       412.6413 493.3334 14.08501 501.0211 14.05709 -7.687775      19.89948 
1 1 1 -15 5  13 o 394.2458 10.56575 4569.028       244.0767 4646.603       301.6586 4421.964       415.3440 397.3356 12.96251 386.8779 18.35795 10.45773       22.47312 
1 1 1 -15 5  14 o 517.0688 14.07854 7872.731       426.5327 7872.731       426.5327 0.000000       0.000000 517.0688 14.07854 ?        ?        0.000000       14.07854 
1 1 1 -15 5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 5  16 o 589.9782 14.82017 10260.71       512.3843 10225.06       714.8882 10298.38       734.7623 587.4655 20.78212 589.4210 21.29045 -1.955566      29.75197 
1 1 1 -15 5  17 o 548.8291 10.12804 8853.965       325.9966 8803.430       462.9274 8903.679       459.1533 546.3925 14.45904 549.5387 14.25857 -3.146240      20.30691 
1 1 1 -15 5  18 o 622.6225 11.04022 11403.96       403.1375 11207.59       567.3936 11604.15       572.8912 616.0358 15.71748 627.0750 15.57766 -11.03918      22.12922 
1 1 1 -15 5  19 o 650.6602 11.34298 12461.43       432.8443 12319.66       610.2405 12604.98       614.0458 645.7111 16.11433 653.1714 16.02962 -7.460327      22.72928 
1 1 1 -15 5  20 o 167.0409 9.352209 823.1148       91.25357 822.0656       125.4672 824.2932       132.9628 166.4800 12.95227 166.5900 13.73094 -0.1100006     18.87591 
1 1 1 -15 5  21 o 221.4928 8.208913 1444.100       106.4495 1442.844       152.7118 1445.286       148.4628 220.9446 11.82836 221.1818 11.48439 -0.2371979     16.48639 
1 1 1 -15 5  22 o 361.7341 8.077061 3847.040       171.3537 3756.311       245.0384 3933.866       239.7107 356.7418 11.72790 365.1870 11.20562 -8.445221      16.22065 
1 1 1 -15 5  23 f 109.2545 12.38293 356.7640       77.94634 394.7062       105.6418 311.4264       115.4794 114.2727 16.21815 100.4323 20.30455 13.84042       25.98659 
1 1 1 -15 5  24 o 196.4362 8.314460 1137.258       95.57029 1164.237       138.6847 1112.860       131.8851 198.2245 11.98546 193.8405 11.65497 4.383926       16.71794 
1 1 1 -15 5  25 o 187.7600 10.72715 1043.070       117.6325 893.2319       269.0957 1078.467       130.7909 169.2237 28.09917 190.7625 11.74751 -21.53873      30.45599 
1 1 1 -15 5  26 o 275.0015 7.794420 2226.430       125.5831 2468.144       190.1476 2039.424       167.2502 288.9536 11.24195 262.6900 10.87962 26.26355       15.64441 
1 1 1 -15 5  27 f 282.0873 10.25645 2349.311       169.3978 2518.463       239.6965 2180.529       239.4330 291.2218 14.07587 270.6597 15.14416 20.56216       20.67549 
1 1 1 -15 5  28 o 179.9384 9.371782 956.3282       98.55921 1103.836       144.5266 828.0948       134.7536 192.7733 12.85700 166.6470 13.91460 26.12630       18.94514 
1 1 1 -15 5  29 o 344.8074 8.408839 3499.272       170.0447 3475.424       245.3900 3521.303       235.8526 342.7143 12.22843 345.1099 11.66965 -2.395569      16.90312 
1 1 1 -15 5  30 o 269.8676 8.532894 2146.299       134.8812 2253.183       200.8181 2058.449       182.0602 275.7471 12.44982 263.6787 11.80298 12.06833       17.15542 
1 1 1 -15 5  31 o 261.2369 8.485569 2012.065       129.8343 2218.154       194.1773 1845.428       174.6051 273.5473 12.13382 249.4982 11.96760 24.04912       17.04268 
1 1 1 -15 5  32 o 454.8594 9.130946 6101.080       243.5810 6206.379       353.3737 6005.756       336.2175 457.1986 13.19269 449.9244 12.75466 7.274200       18.35015 
1 1 1 -15 5  33 o 248.4287 8.010350 1820.612       116.5563 1822.005       350.8662 1820.440       123.5740 242.3608 25.04512 248.3244 8.497626 -5.963623      26.44745 
1 1 1 -15 5  34 o 509.7727 8.793559 7670.383       262.9007 8162.750       657.9170 7576.825       286.7930 516.9163 21.75064 506.3134 9.658253 10.60284       23.79857 
1 1 1 -15 5  35 o 97.24070 17.47304 293.0113       95.98510 395.9145       311.9670 282.2514       100.8786 111.1343 38.85599 95.05228 18.76248 16.08202       43.14879 
1 1 1 -15 5  36 o 276.0849 8.159677 2252.594       131.9743 2323.005       386.0127 2243.274       140.4371 272.2145 24.43891 275.3650 8.707004 -3.150452      25.94363 
1 1 1 -15 5  37 o 215.4126 8.891747 1376.001       112.0919 1218.682       348.8885 1394.109       118.3673 190.4104 32.40197 216.7050 9.335382 -26.29468      33.71999 
1 1 1 -15 5  38 o 45.87095 19.49514 10.18021       91.54456 -68.20995      301.3857 18.14767       96.08422 72.22142 32.78099 47.84447 20.13517 24.37695       38.47101 
1 1 1 -15 5  39 o 204.8515 8.824495 1249.886       105.7693 836.7045       306.0575 1305.925       112.7140 150.8118 35.24091 209.2592 9.206766 -58.44737      36.42371 
1 1 1 -15 5  40 o 103.4010 14.85069 333.1290       87.47715 969.7516       296.9757 272.6441       91.53844 164.1871 31.99158 92.30829 17.55005 71.87880       36.48925 
1 1 1 -15 5  41 o 45.76941 19.07570 25.00528       84.97519 -12.64981      108.8701 83.70659       135.9316 46.35702 20.46068 61.34926 24.67308 -14.99224      32.05309 
1 1 1 -15 5  42 o 152.4893 11.37880 707.3833       101.0286 842.9457       142.3414 569.7651       143.4166 164.4787 14.91818 132.5874 18.98478 31.89130       24.14485 
1 1 1 -15 5  43 o 65.15876 21.70836 139.4673       97.15156 289.3077       132.8568 -32.74056      142.4282 90.41515 24.46529 50.15242 22.67221 40.26273       33.35535 
1 1 1 -15 5  44 o 118.4550 22.15461 481.1006       148.2538 0.000000       0.000000 481.1006       148.2538 ?        ?        118.4550 22.15461 0.000000       22.15461 
1 1 1 -15 5  45 o 39.72235 18.41127 -60.25508      102.0766 3.034195       139.6066 -132.9589      149.6302 51.91513 23.02901 44.16980 21.02689 7.745331       31.18437 
1 1 1 -15 5  46 o 213.5462 9.551268 1382.750       119.3172 1283.452       166.8854 1486.587       170.6578 201.7625 14.19409 218.0052 13.41270 -16.24277      19.52877 
1 1 1 -15 5  47 o 34.05382 16.63791 -170.7974      109.6896 -172.6076      155.2415 -168.9926      155.0077 42.61281 20.57851 42.74801 20.62379 -0.1351967     29.13445 
1 1 1 -15 5  48 o 66.21294 23.00699 154.6989       109.2811 115.3055       158.6497 190.2654       150.7466 63.50274 26.22974 71.81988 26.74795 -8.317135      37.46268 
1 1 1 -15 6  1  o 615.5997 13.49240 11134.60       487.1223 11104.35       801.9044 11152.28       613.2318 613.3130 22.33138 615.4992 17.00447 -2.186157      28.06853 
1 1 1 -15 6  2  o 943.9438 22.50104 26272.63       1245.659 25162.10       1679.047 27632.09       1857.731 920.9625 31.13113 964.5144 32.88966 -43.55188      45.28661 
1 1 1 -15 6  3  o 1199.075 39.88314 42943.45       2800.795 0.000000       0.000000 42943.45       2800.795 ?        ?        1199.075 39.88314 0.000000       39.88314 
1 1 1 -15 6  4  o 246.1668 16.37931 1790.086       235.1247 1885.722       282.6743 1575.346       423.5752 252.3442 19.24558 228.2260 32.56844 24.11819       37.82983 
1 1 1 -15 6  5  o 190.9066 16.22026 1079.559       179.8878 886.5887       239.3881 1329.866       272.6431 171.6102 24.47828 211.2026 22.34996 -39.59238      33.14675 
1 1 1 -15 6  6  o 393.0775 11.75623 4542.116       270.7124 3959.965       381.3061 5133.762       384.4031 366.3819 17.79879 417.5236 15.72651 -51.14172      23.75121 
1 1 1 -15 6  7  o 649.0165 12.11858 12373.45       461.2729 12458.59       653.8962 12289.12       650.7917 650.4521 17.15625 646.0041 17.19263 4.447998       24.28834 
1 1 1 -15 6  8  o 988.2520 16.52246 28734.97       957.6195 28777.16       1355.286 28692.90       1353.273 987.3168 23.40583 985.8703 23.40535 1.446472       33.10050 
1 1 1 -15 6  9  o 369.9742 10.06179 4022.018       218.1191 4016.865       300.5303 4027.753       317.0676 369.3976 13.89692 369.8196 14.64777 -0.4220276     20.19113 
1 1 1 -15 6  10 o 136.2488 16.87487 554.6774       131.9616 510.5355       170.7713 620.1028       207.9040 129.5419 23.33599 142.6513 25.80005 -13.10938      34.78809 
1 1 1 -15 6  11 o 246.2553 10.12801 1783.788       145.9595 1797.163       194.1196 1766.390       221.3954 246.8863 13.45758 244.5357 15.51750 2.350571       20.54019 
1 1 1 -15 6  12 o 248.7510 9.578079 1819.661       139.4702 1966.144       188.4395 1642.212       207.4028 258.3374 12.47440 235.7686 15.07858 22.56883       19.56972 
1 1 1 -15 6  13 o 311.8484 10.27530 2859.784       187.6702 2861.600       224.1160 2855.524       343.3273 311.7595 12.28155 310.5702 18.93947 1.189301       22.57299 
1 1 1 -15 6  14 o 174.0855 11.19618 894.3690       113.7037 887.2358       153.1129 903.1394       169.7778 172.9144 15.25465 174.2495 16.82232 -1.335114      22.70891 
1 1 1 -15 6  15 o 634.3279 16.46646 11871.15       612.0645 12611.16       929.3784 11304.37       813.3576 651.4831 24.36716 617.3602 22.50192 34.12286       33.16768 
1 1 1 -15 6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 6  18 o 322.8205 8.879338 3064.822       167.9498 2889.146       263.1113 3185.623       218.1820 312.6779 14.38657 328.8293 11.33045 -16.15134      18.31263 
1 1 1 -15 6  19 o 389.8446 8.544062 4466.556       195.3468 4704.174       289.5682 4268.094       264.6365 399.4024 12.37697 380.5078 11.87319 18.89453       17.15115 
1 1 1 -15 6  20 o 256.8919 8.071731 1941.388       121.4586 2018.295       177.4327 1873.573       166.6142 261.4969 11.59841 251.9703 11.30366 9.526627       16.19555 
1 1 1 -15 6  21 o 315.3701 7.836597 2923.232       144.9434 2928.279       207.9427 2918.463       202.1423 315.0560 11.27213 314.5762 10.97353 0.4797974      15.73147 
1 1 1 -15 6  22 o 252.4577 7.945863 1875.619       117.5003 1824.507       166.1891 1926.709       166.1520 248.5154 11.43310 255.4456 11.11726 -6.930206      15.94707 
1 1 1 -15 6  23 o 130.9373 10.50093 508.4088       79.96287 512.2305       112.1722 504.4601       114.0196 130.7021 14.89939 129.6178 15.29316 1.084229       21.35117 
1 1 1 -15 6  24 o 437.3393 8.717231 5629.290       223.5875 5557.884       319.2903 5697.996       313.1987 433.5212 12.57140 439.0704 12.17460 -5.549194      17.50031 
1 1 1 -15 6  25 o 438.3444 8.851154 5656.895       227.5442 5901.894       338.2355 5454.343       307.5421 446.5508 12.92871 429.4836 12.22220 17.06729       17.79140 
1 1 1 -15 6  26 o 304.9292 9.387745 2741.707       167.6846 2852.583       209.9188 2546.219       278.7367 310.6044 11.54382 292.2030 16.33015 18.40143       19.99834 
1 1 1 -15 6  27 o 366.5099 11.01140 3967.574       236.4209 4477.083       348.1366 3531.478       322.0808 388.0677 15.32663 344.3758 15.99076 43.69189       22.14971 
1 1 1 -15 6  28 o 303.5155 8.213293 2712.793       146.0661 2721.651       211.5788 2704.728       201.8983 303.3069 11.91751 302.4739 11.40178 0.8329773      16.49326 
1 1 1 -15 6  29 o 172.6110 10.29871 881.6576       103.7822 843.6022       146.4497 920.0479       147.0928 167.9670 15.02520 175.5992 14.40961 -7.632187      20.81811 
1 1 1 -15 6  30 o 253.7830 8.642061 1898.712       128.4388 2149.011       193.9868 1703.339       171.3854 269.2944 12.31532 239.7040 12.23168 29.59033       17.35745 
1 1 1 -15 6  31 o 155.7195 10.72930 719.4622       97.38718 878.3573       149.9732 603.6075       128.0605 171.2295 15.08847 141.5690 15.68693 29.66057       21.76561 
1 1 1 -15 6  32 o 211.4496 8.403123 1319.541       103.9997 1476.577       335.4867 1302.846       109.3885 217.6497 26.85118 210.0234 8.901007 7.626282       28.28805 
1 1 1 -15 6  33 o 161.9580 9.977072 778.0745       94.30674 899.7097       355.5674 768.8704       97.80975 163.4159 37.84566 160.9100 10.42054 2.505875       39.25407 
1 1 1 -15 6  34 o 117.9526 14.20273 420.7175       96.27470 149.8057       317.0952 448.2264       101.0445 90.82191 37.25274 121.7402 14.43281 -30.91827      39.95087 
1 1 1 -15 6  35 o 99.94903 16.32927 307.3974       92.41644 142.5255       315.4984 322.8717       96.65614 89.68568 37.01136 102.3941 16.66829 -12.70838      40.59153 
1 1 1 -15 6  36 o 140.8615 12.26818 595.4531       100.3398 904.2885       339.5797 565.9092       105.0296 161.8540 36.63121 137.0397 13.23256 24.81436       38.94799 
1 1 1 -15 6  37 o 155.9929 11.39886 728.8838       103.5640 231.7549       321.4143 786.4757       109.3985 94.75831 37.99837 162.0120 11.59023 -67.25372      39.72669 
1 1 1 -15 6  38 o 213.8467 8.590876 1358.399       107.5240 1408.277       333.0292 1352.595       113.6084 205.5124 28.38821 213.2202 9.106110 -7.707794      29.81294 
1 1 1 -15 6  39 o 116.7401 15.17279 422.4249       101.4256 68.53327       296.4978 469.3247       107.9374 78.14784 34.15048 123.0919 15.27965 -44.94402      37.41287 
1 1 1 -15 6  40 o 262.7037 13.97178 2110.192       214.4883 2466.051       343.0107 1881.704       274.8526 276.7714 21.29539 243.4584 19.41033 33.31296       28.81414 
1 1 1 -15 6  41 o 143.1312 15.26640 638.1719       126.1751 858.8386       301.1243 591.1783       138.9624 149.7957 34.92303 136.3023 17.80930 13.49333       39.20190 
1 1 1 -15 6  42 o 100.6079 17.15590 325.8683       97.59914 422.2281       136.1169 223.9065       140.0178 112.2516 21.45803 80.10777 26.03065 32.14380       33.73488 
1 1 1 -15 6  43 o 55.85291 23.00775 60.97492       121.6279 -82.14208      334.4934 82.78071       130.5653 69.51151 32.58438 59.55957 24.10005 9.951935       40.52844 
1 1 1 -15 6  44 o 66.52763 22.04274 148.7938       100.2000 216.8150       137.8093 72.49988       145.9491 77.83389 25.85268 59.76865 24.96178 18.06524       35.93677 
1 1 1 -15 6  45 o 51.22267 21.16683 49.95467       103.3768 89.12288       144.2273 8.571436       148.2493 60.80057 25.05091 53.59911 23.75594 7.201466       34.52380 
1 1 1 -15 6  46 o 101.8110 19.61617 352.8813       112.8801 247.4147       155.5030 470.3578       164.1183 80.53951 27.46568 112.9166 25.39970 -32.37708      37.41000 
1 1 1 -15 6  47 o 65.35897 22.80354 148.1664       107.4148 230.3380       155.3099 72.82064       148.7194 77.50777 27.39030 58.68576 24.89102 18.82200       37.01070 
1 1 1 -15 6  48 o 164.7213 12.50652 848.6358       119.9164 1002.435       176.1320 715.7462       163.7221 174.1215 17.48423 144.7084 19.81092 29.41315       26.42293 
1 1 1 -15 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7  2  o 1886.089 43.61750 106548.4       4824.736 0.000000       0.000000 106548.4       4824.736 ?        ?        1886.089 43.61750 0.000000       43.61750 
1 1 1 -15 7  3  o 1102.648 21.05962 35832.54       1361.877 32140.60       2140.111 38345.04       1765.477 1039.082 35.16920 1139.010 26.42919 -99.92871      43.99289 
1 1 1 -15 7  4  o 346.1582 14.14145 3527.667       286.4863 3464.870       349.2538 3656.827       500.8845 342.7045 17.43413 351.0917 24.47910 -8.387207      30.05288 
1 1 1 -15 7  5  o 425.0499 14.21253 5316.303       353.7941 5544.980       456.4604 4972.210       559.9238 433.6595 17.98653 409.8115 23.39387 23.84796       29.50913 
1 1 1 -15 7  6  o 574.7575 11.43181 9702.203       385.3454 10199.18       557.9982 9249.107       532.7964 588.6119 16.17951 560.4991 16.22532 28.11285       22.91369 
1 1 1 -15 7  7  o 322.1179 10.56007 3050.081       199.2254 3253.540       268.0614 2799.027       297.7691 332.4223 13.77959 307.9946 16.54562 24.42776       21.53218 
1 1 1 -15 7  8  o 330.5730 10.33867 3211.957       200.1927 3222.833       268.4600 3198.333       300.4665 330.8253 13.86738 329.3801 15.59854 1.445129       20.87148 
1 1 1 -15 7  9  o 353.4565 12.21073 3675.049       252.7408 4051.854       482.3639 3532.454       296.7343 369.8400 22.34296 346.2807 14.64436 23.55927       26.71452 
1 1 1 -15 7  10 o 677.8644 12.09597 13501.52       480.8770 13349.90       674.2446 13658.50       686.0342 673.1570 17.09236 680.8791 17.19384 -7.722046      24.24411 
1 1 1 -15 7  11 o 389.5925 9.385785 4456.620       214.4528 4588.795       304.5649 4326.647       302.0154 394.8617 13.17020 383.3733 13.45334 11.48840       18.82675 
1 1 1 -15 7  12 o 474.9853 9.660441 6625.665       269.1086 6781.842       385.3336 6476.967       375.9925 479.9949 13.70233 469.0756 13.68202 10.91931       19.36366 
1 1 1 -15 7  13 o 384.5217 14.47439 4357.768       325.8336 4047.876       487.7176 4607.580       437.8949 369.2072 22.63288 394.7007 18.97252 -25.49356      29.53310 
1 1 1 -15 7  14 o 955.8130 15.87509 26919.81       889.8969 25498.49       1207.113 28611.88       1317.073 928.1050 22.17687 982.8505 22.84924 -54.74548      31.84182 
1 1 1 -15 7  15 o 734.7368 18.14082 15940.22       781.6986 18141.14       1235.895 14472.62       1009.212 780.0842 27.05499 697.6219 24.70574 82.46228       36.63804 
1 1 1 -15 7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 7  17 o 551.8392 10.19101 8953.816       329.8226 8884.076       469.7804 9021.607       463.1690 548.7212 14.61098 553.0285 14.29242 -4.307312      20.43903 
1 1 1 -15 7  18 o 446.3484 8.992686 5855.698       235.4041 5864.774       340.3082 5847.371       325.9773 445.9385 13.02604 445.3776 12.49216 0.5609131      18.04805 
1 1 1 -15 7  19 o 420.8361 8.749654 5206.103       215.9506 5069.109       306.3088 5341.483       304.4998 414.5257 12.61430 425.6059 12.21175 -11.08017      17.55698 
1 1 1 -15 7  20 o 127.7073 11.46000 484.2861       84.92067 491.4524       117.3221 476.3995       123.0764 127.9130 15.98734 125.6844 17.14358 2.228600       23.44136 
1 1 1 -15 7  21 o 239.6615 8.060142 1690.428       113.1288 1668.366       162.1024 1711.375       157.9547 237.6176 11.66784 240.7365 11.21854 -3.118881      16.18623 
1 1 1 -15 7  22 f 346.0608 7.952826 3521.127       161.4078 3509.456       230.0164 3532.449       226.5531 344.8206 11.38968 345.9906 11.17959 -1.169922      15.95957 
1 1 1 -15 7  23 o 217.3482 8.146585 1391.432       103.6604 1322.498       145.9079 1461.685       147.2978 211.3644 11.81760 222.3223 11.33439 -10.95784      16.37450 
1 1 1 -15 7  24 o 256.6195 7.907525 1938.860       118.8673 2097.788       175.9256 1805.358       161.2402 266.3964 11.28587 247.1207 11.15411 19.27570       15.86773 
1 1 1 -15 7  25 o 282.8297 9.725335 2359.905       161.0770 2415.731       356.0099 2345.535       180.6222 282.8560 21.62477 281.7389 10.95222 1.117096       24.24008 
1 1 1 -15 7  26 o 314.2761 9.640817 2913.138       177.4851 2955.192       222.5212 2839.600       294.2520 316.0326 12.02769 308.6208 16.31508 7.411835       20.26937 
1 1 1 -15 7  27 o 455.5462 13.73333 6150.772       366.4904 6711.034       574.9631 5767.358       475.6403 472.6521 20.79275 439.1987 18.50723 33.45343       27.83624 
1 1 1 -15 7  28 o 252.7227 10.58289 1887.013       156.5081 1991.578       223.8371 1786.995       218.9166 258.7282 14.81347 244.9108 15.31794 13.81741       21.30911 
1 1 1 -15 7  29 o 264.4721 9.171939 2062.746       142.0475 1953.942       221.5877 2138.650       185.0773 256.2218 14.80927 268.8131 11.76809 -12.59131      18.91566 
1 1 1 -15 7  30 o 188.5895 9.603286 1051.126       105.8658 1133.204       157.2951 983.1582       143.1380 195.0372 13.84134 181.6651 13.53206 13.37216       19.35715 
1 1 1 -15 7  31 o 180.5592 9.510852 964.1323       100.3587 0.000000       0.000000 964.1323       100.3587 ?        ?        180.5592 9.510852 0.000000       9.510852 
1 1 1 -15 7  32 o 314.0140 7.700025 2903.790       141.8050 2623.688       386.5101 2947.358       152.4349 292.9805 22.67050 316.1606 8.228024 -23.18005      24.11746 
1 1 1 -15 7  33 o 39.95206 17.93183 -37.38951      87.29046 -150.5932      314.0075 -27.90875      90.87224 72.38917 33.08932 41.88523 18.57977 30.50393       37.94879 
1 1 1 -15 7  34 o 121.9479 13.59379 448.3566       95.57113 15.07579       332.3719 487.4095       99.78528 83.28482 36.28049 127.2094 13.58512 -43.92458      38.74054 
1 1 1 -15 7  35 o 359.2368 8.034016 3807.776       169.2638 3343.825       441.7469 3887.615       183.2498 328.6940 23.06194 362.8165 8.612036 -34.12253      24.61748 
1 1 1 -15 7  36 o 105.0469 16.89758 341.3265       100.5717 358.6943       350.3822 339.7672       104.9897 107.6584 40.63583 104.5325 17.76036 3.125923       44.34751 
1 1 1 -15 7  37 o 109.0881 14.84627 365.0329       92.52033 94.17915       331.3408 387.9370       96.35284 85.50935 36.73312 112.4693 14.97978 -26.95998      39.67009 
1 1 1 -15 7  38 o 190.3318 10.32935 1083.472       114.8694 724.0508       322.2276 1135.798       122.9469 138.8089 38.32370 194.7071 10.80919 -55.89816      39.81889 
1 1 1 -15 7  39 o 280.7244 7.990615 2340.437       131.4222 2424.393       360.3658 2327.558       141.1430 273.9903 22.62787 279.6639 8.615702 -5.673615      24.21262 
1 1 1 -15 7  40 o 78.05096 19.28995 199.5538       87.78642 539.4633       287.5977 164.6300       92.18597 116.8574 37.24557 70.83636 20.81672 46.02106       42.66812 
1 1 1 -15 7  41 o 64.22528 21.16916 131.8943       92.45314 257.0867       313.3839 119.9595       96.75967 89.47312 36.90175 62.31879 21.64912 27.15433       42.78345 
1 1 1 -15 7  42 o 67.57345 20.93439 151.7795       91.48913 137.0674       125.1417 168.6712       134.0918 66.51105 24.44287 71.56937 25.43524 -5.058327      35.27613 
1 1 1 -15 7  43 o 127.6429 13.49569 507.0247       99.50005 322.5577       136.5135 716.0835       145.3284 95.46320 24.31877 149.6523 16.85089 -54.18915      29.58640 
1 1 1 -15 7  44 o 266.3029 8.131355 2123.993       126.8470 2067.049       181.3590 2178.528       177.4814 259.5878 11.94456 267.0701 11.35716 -7.482330      16.48203 
1 1 1 -15 7  45 o 45.67807 20.14016 -1.141470      105.2280 55.35511       149.8337 -56.12706      147.8165 57.91110 24.78604 48.53900 22.37629 9.372101       33.39230 
1 1 1 -15 7  46 o 55.94167 22.18469 83.43458       108.3554 116.4452       152.6280 49.89114       153.8547 63.96582 25.99316 57.46962 24.86138 6.496201       35.96849 
1 1 1 -15 7  47 o 64.07298 22.84646 140.6194       108.2697 33.17965       162.1270 227.1027       145.4585 56.52258 24.95709 77.16668 26.55637 -20.64410      36.44307 
1 1 1 -15 7  48 o 82.35270 24.28528 254.7993       125.2831 401.0616       183.8535 128.0085       171.1787 98.46650 29.51440 65.54515 27.17547 32.92135       40.11990 
1 1 1 -15 8  1  o 1397.086 32.36809 57934.14       2652.106 0.000000       0.000000 57934.14       2652.106 ?        ?        1397.086 32.36809 0.000000       32.36809 
1 1 1 -15 8  2  o 667.8209 14.08365 13108.35       551.6019 11953.03       851.6975 13943.08       723.9460 636.1049 22.86722 688.0261 17.95652 -51.92114      29.07483 
1 1 1 -15 8  3  o 1033.513 24.49697 31544.43       1484.838 0.000000       0.000000 31544.43       1484.838 ?        ?        1033.513 24.49697 0.000000       24.49697 
1 1 1 -15 8  4  f 656.2861 17.56637 12685.79       675.5150 0.000000       0.000000 12685.79       675.5150 ?        ?        656.2861 17.56637 0.000000       17.56637 
1 1 1 -15 8  5  o 457.1423 11.57890 6142.014       310.1842 6226.629       487.5762 6084.486       402.0304 459.5298 18.12722 454.6329 15.09908 4.896851       23.59191 
1 1 1 -15 8  6  o 709.6473 14.54430 14806.53       605.3211 14571.80       996.7827 14943.67       761.8972 701.9440 24.24936 712.1546 18.25702 -10.21063      30.35375 
1 1 1 -15 8  7  o 269.5543 10.89884 2137.385       171.9414 2175.273       227.1826 2086.582       263.0693 271.6301 14.31138 265.7242 16.96930 5.905945       22.19849 
1 1 1 -15 8  8  o 209.6002 11.86570 1294.782       145.2641 1444.517       192.0855 1094.744       222.0193 221.1250 14.89871 191.6782 20.04608 29.44676       24.97633 
1 1 1 -15 8  9  o 554.7614 10.72249 9039.037       348.8609 9209.356       498.4000 8875.432       488.4773 559.3106 15.20819 549.0728 15.18382 10.23779       21.49041 
1 1 1 -15 8  10 o 647.8895 11.63598 12333.43       442.1345 12185.15       617.4484 12489.46       633.4022 643.1516 16.38289 651.0985 16.60109 -7.946960      23.32371 
1 1 1 -15 8  11 o 742.1682 12.86588 16194.18       560.0058 16306.52       798.8004 16085.60       785.3075 743.7439 18.31321 738.7281 18.12611 5.015747       25.76683 
1 1 1 -15 8  12 o 608.0164 11.18789 10863.88       398.9460 10576.57       560.1619 11159.62       568.3162 599.0476 15.95838 615.3873 15.75972 -16.33966      22.42852 
1 1 1 -15 8  13 o 542.1451 15.38236 8664.112       488.5959 8706.383       718.9063 8627.827       666.0722 541.8160 22.67414 539.7736 21.08119 2.042480       30.96019 
1 1 1 -15 8  14 o 340.2317 14.25835 3414.489       283.8774 2977.052       420.5647 3780.592       384.7485 316.1465 22.83657 357.3582 18.42005 -41.21170      29.33951 
1 1 1 -15 8  15 o 695.6310 13.82715 14250.73       564.1078 13043.07       903.6401 15021.87       722.0901 662.5156 23.29298 713.3547 17.25978 -50.83917      28.99074 
1 1 1 -15 8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8  17 o 577.3080 10.48132 9802.599       354.8740 10002.21       513.6202 9620.264       490.8866 582.0366 15.05935 570.9070 14.67322 11.12964       21.02587 
1 1 1 -15 8  18 o 362.7655 8.304987 3867.083       176.6914 3944.424       255.3663 3796.049       244.7316 365.7777 11.92000 358.8691 11.64337 6.908600       16.66296 
1 1 1 -15 8  19 o 400.0143 8.557299 4703.758       200.7533 4579.375       283.4518 4828.944       284.3665 393.9867 12.28225 404.6458 11.99590 -10.65903      17.16844 
1 1 1 -15 8  20 o 80.02166 17.22463 196.9914       78.44106 176.0414       103.5660 225.1803       120.1336 75.97836 21.98998 85.39348 23.33042 -9.415123      32.06038 
1 1 1 -15 8  21 o 399.5182 8.478663 4694.061       198.6618 4818.936       291.7405 4586.091       271.2750 403.9640 12.32855 394.2021 11.74695 9.761841       17.02892 
1 1 1 -15 8  22 o 188.1815 8.817122 1044.204       97.03871 1104.385       138.1805 985.6453       136.3056 193.0520 12.26802 182.2418 12.83518 10.81015       17.75517 
1 1 1 -15 8  23 o 216.4188 8.320336 1379.993       105.4087 1360.898       151.2598 1398.020       146.9735 214.3499 12.08123 217.3514 11.57162 -3.001465      16.72897 
1 1 1 -15 8  24 o 242.4127 8.075263 1730.708       114.6452 1679.636       166.5224 1776.730       158.0730 238.1847 11.95914 245.1622 11.02214 -6.977539      16.26372 
1 1 1 -15 8  25 f 440.1299 9.946327 5709.688       256.7403 6226.830       455.8896 5469.497       310.6936 457.0693 17.03679 430.0094 12.33255 27.05997       21.03197 
1 1 1 -15 8  26 o 244.8115 14.10735 1781.476       201.6901 1745.202       361.1004 1797.924       243.1538 238.4059 26.26067 245.1976 17.01439 -6.791748      31.29077 
1 1 1 -15 8  27 o 289.7406 8.455765 2472.962       143.5317 2590.543       212.8382 2374.886       194.3838 295.8140 12.29498 283.3356 11.72324 12.47839       16.98826 
1 1 1 -15 8  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8  29 o 485.2283 13.12659 6973.825       373.2067 0.000000       0.000000 6973.825       373.2067 ?        ?        485.2283 13.12659 0.000000       13.12659 
1 1 1 -15 8  30 o 219.6614 8.383660 1422.850       107.8053 2392.723       370.9619 1333.384       112.6678 280.5429 22.74133 212.5320 9.059881 68.01086       24.47958 
1 1 1 -15 8  31 o 134.7146 11.14187 540.0634       87.24194 660.1897       327.5849 530.8929       90.51072 140.8669 38.54192 133.4612 11.68127 7.405731       40.27322 
1 1 1 -15 8  32 o 223.5105 8.277819 1474.429       108.3212 1444.672       358.5756 1477.417       113.6300 213.5542 29.41019 223.6658 8.678961 -10.11160      30.66404 
1 1 1 -15 8  33 o 172.1464 10.12347 879.3035       101.7552 659.0723       350.7746 899.5389       106.3273 138.5582 40.57593 174.0533 10.46459 -35.49506      41.90363 
1 1 1 -15 8  34 o 39.79469 17.71718 -28.48989      83.39748 -292.9751      350.1651 -12.58530      85.86839 70.25690 33.06108 42.24908 18.42204 28.00782       37.84715 
1 1 1 -15 8  35 o 90.75943 18.57457 258.1845       95.53561 431.0846       369.7705 245.8175       98.89329 115.4534 42.08216 88.26530 19.61323 27.18813       46.42830 
1 1 1 -15 8  36 o 128.0466 12.91138 494.6550       95.63692 688.6357       362.3465 480.1299       99.15291 137.7036 41.47039 125.9296 13.64306 11.77405       43.65691 
1 1 1 -15 8  37 o 409.6524 8.170545 4966.708       196.2985 5023.097       544.4501 4958.282       210.4532 398.4388 23.40251 409.0168 8.773318 -10.57803      24.99297 
1 1 1 -15 8  38 o 154.9477 12.63951 727.3129       113.8623 1105.824       359.8786 685.2079       120.0282 173.8765 36.45787 149.9049 13.80769 23.97157       38.98498 
1 1 1 -15 8  39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8  40 o 201.4601 10.09280 1218.950       118.8683 0.000000       0.000000 1218.950       118.8683 ?        ?        201.4601 10.09280 0.000000       10.09280 
1 1 1 -15 8  41 o 198.6901 9.314208 1183.882       108.2336 1656.298       358.4221 1136.482       113.5338 216.2915 28.98453 194.3374 9.994922 21.95409       30.65944 
1 1 1 -15 8  42 o 32.44999 15.63290 -119.2966      88.29559 -165.5598      336.1722 -115.8686      91.50834 66.79591 31.71751 33.49569 16.07939 33.30021       35.56047 
1 1 1 -15 8  43 o 114.5884 15.06604 415.7420       98.79844 432.9397       137.8834 397.5954       141.6364 112.8521 21.61983 106.8924 23.25601 5.959770       31.75310 
1 1 1 -15 8  44 o 154.5051 11.84864 734.7471       106.5455 807.3155       152.9705 666.3712       148.4859 158.4280 16.71528 142.7156 18.15044 15.71246       24.67466 
1 1 1 -15 8  45 o 98.58694 19.61802 330.1441       109.4381 355.1454       155.0765 305.3403       154.4631 97.03377 26.50575 89.44941 27.10612 7.584358       37.91170 
1 1 1 -15 8  46 o 86.09196 21.12837 260.5830       105.8702 379.4859       155.0714 156.7774       144.8925 100.2122 26.12260 68.16402 26.03680 32.04819       36.88231 
1 1 1 -15 8  47 o 60.39300 23.20995 114.1452       115.6115 108.3985       167.5473 119.3681       159.7312 63.60988 26.66795 64.13510 26.38748 -0.5252190     37.51638 
1 1 1 -15 8  48 o 113.4758 21.08065 452.1052       135.1303 362.2059       197.1743 531.7260       185.5604 91.77348 30.93103 116.5167 27.58486 -24.74322      41.44458 
1 1 1 -15 9  1  o 343.6721 27.35024 3516.470       546.7151 0.000000       0.000000 3516.470       546.7151 ?        ?        343.6721 27.35024 0.000000       27.35024 
1 1 1 -15 9  2  o 829.8187 20.28565 20294.27       987.2398 20995.29       1388.962 19578.51       1403.487 841.6099 28.18006 812.2629 29.51099 29.34698       40.80458 
1 1 1 -15 9  3  o 862.7017 16.93186 21901.89       856.6743 21375.25       1425.129 22199.87       1071.971 848.9996 28.66285 867.7095 21.06483 -18.70990      35.57086 
1 1 1 -15 9  4  o 656.1976 13.74721 12656.71       529.0536 11347.43       809.4686 13633.06       699.0147 619.7388 22.30744 680.3088 17.53444 -60.56995      28.37391 
1 1 1 -15 9  5  o 357.7240 13.18223 3765.898       276.0857 3715.345       327.9830 3888.814       511.4223 355.0351 15.79129 362.0131 24.22770 -6.978027      28.91965 
1 1 1 -15 9  6  o 631.4783 13.23263 11720.17       490.0667 11664.75       810.6010 11752.10       615.2362 628.3304 22.03135 631.7037 16.62093 -3.373352      27.59775 
1 1 1 -15 9  7  o 694.3987 14.15131 14177.86       576.3099 14575.90       983.3764 13969.64       711.2537 701.9255 23.92288 688.5465 17.62780 13.37903       29.71604 
1 1 1 -15 9  8  o 272.7199 9.990373 2186.957       159.5198 2063.187       207.1832 2367.154       249.9880 264.5838 13.39542 283.2705 15.10219 -18.68671      20.18696 
1 1 1 -15 9  9  o 625.0840 11.48560 11480.09       421.0587 11179.03       585.1857 11803.28       606.3098 616.0267 16.21143 632.9807 16.34621 -16.95392      23.02192 
1 1 1 -15 9  10 o 297.7661 9.501654 2606.344       165.7176 2763.928       227.6926 2428.849       241.6499 306.3579 12.70024 286.9703 14.40422 19.38763       19.20359 
1 1 1 -15 9  11 o 774.1716 13.30051 17628.24       603.8876 17307.47       842.3357 17967.46       866.2170 765.9539 18.75133 780.3775 18.92655 -14.42358      26.64257 
1 1 1 -15 9  12 o 398.4272 15.18614 4681.659       354.2021 4722.028       532.5568 4649.637       474.3206 398.7135 22.87074 396.1370 20.48585 2.576538       30.70408 
1 1 1 -15 9  13 o 361.6558 8.843739 3841.450       187.5780 3855.135       264.4146 3827.586       266.1446 361.8044 12.47992 360.4918 12.60784 1.312561       17.73995 
1 1 1 -15 9  14 o 824.8760 20.09210 20129.23       971.9958 19153.95       1342.802 21202.72       1408.791 800.5411 28.64695 842.3658 28.55773 -41.82471      40.44986 
1 1 1 -15 9  15 o 392.8607 9.647639 4535.902       222.2850 3957.560       332.2757 5004.391       299.0586 365.9946 15.51529 412.1701 12.38575 -46.17554      19.85273 
1 1 1 -15 9  16 o 359.8780 11.37407 3814.530       239.7595 4022.378       322.7501 3558.589       358.1483 368.9820 14.94550 346.4926 17.68304 22.48935       23.15293 
1 1 1 -15 9  17 o 506.1029 9.642363 7531.424       286.2021 7624.385       413.9462 7446.288       396.1424 508.2882 13.89924 502.4123 13.45649 5.875916       19.34595 
1 1 1 -15 9  18 o 186.9544 9.322431 1030.342       101.8927 1127.338       141.7867 926.7527       146.5263 195.1922 12.45066 176.6303 14.26619 18.56190       18.93523 
1 1 1 -15 9  19 o 532.6523 9.905845 8348.827       309.4467 8210.540       437.4819 8487.294       437.7658 527.0772 14.16541 535.9590 13.93890 -8.881775      19.87339 
1 1 1 -15 9  20 o 261.5136 8.219198 2012.647       125.9026 2117.221       183.6008 1919.822       172.9798 267.7403 11.72098 254.9482 11.59931 12.79202       16.49016 
1 1 1 -15 9  21 o 222.7638 8.410726 1461.528       109.6852 1408.675       154.9971 1514.547       155.2397 218.1699 12.16188 226.3134 11.73622 -8.143555      16.90118 
1 1 1 -15 9  22 o 212.5539 8.366757 1331.091       104.0944 1282.932       150.1231 1375.687       144.4635 208.0842 12.35714 215.6514 11.46353 -7.567184      16.85561 
1 1 1 -15 9  23 o 52.20497 19.14811 65.71391       76.73834 -2.906360      104.6424 145.5536       112.8732 48.25710 20.68512 70.92321 23.39105 -22.66611      31.22523 
1 1 1 -15 9  24 o 117.4351 12.54949 412.1830       85.09383 440.4382       119.7741 383.3866       120.9157 120.4303 17.46727 111.8196 19.12487 8.610741       25.90109 
1 1 1 -15 9  25 o 119.9276 17.15781 436.4637       117.2442 463.4864       331.0774 432.5889       125.3685 121.7862 40.05576 119.0540 18.56039 2.732178       44.14693 
1 1 1 -15 9  26 o 300.0822 12.73374 2667.637       223.5931 2527.147       371.4641 2747.459       279.9976 289.1283 22.07351 303.7315 15.77264 -14.60321      27.12961 
1 1 1 -15 9  27 f 269.8723 8.709428 2146.297       137.6668 2226.106       205.0022 2080.744       185.7927 274.0743 12.78907 265.1281 11.97970 8.946167       17.52351 
1 1 1 -15 9  28 o 254.2400 8.445686 1904.643       125.7553 0.000000       0.000000 1904.643       125.7553 ?        ?        254.2400 8.445686 0.000000       8.445686 
1 1 1 -15 9  29 o 348.5140 11.65939 3592.701       237.9769 0.000000       0.000000 3592.701       237.9769 ?        ?        348.5140 11.65939 0.000000       11.65939 
1 1 1 -15 9  30 o 220.1881 8.471055 1430.075       109.1870 1797.466       375.6636 1396.175       114.1134 240.9026 27.05645 217.4819 8.965930 23.42067       28.50332 
1 1 1 -15 9  31 o 116.1297 13.23340 405.1539       88.52281 625.5305       351.4547 390.2259       91.47189 136.7021 40.76719 113.7790 14.00307 22.92303       43.10510 
1 1 1 -15 9  32 o 49.81667 19.43728 47.69716       82.00656 -89.68034      341.3676 56.11079       84.48048 78.99255 35.45728 51.66843 19.84470 27.32412       40.63288 
1 1 1 -15 9  33 o 38.19136 17.40166 -51.09053      85.95403 24.90712       351.5808 -55.92165      88.64396 86.06237 37.40434 38.46276 17.58126 47.59961       41.33020 
1 1 1 -15 9  34 o 157.3903 10.52140 736.9692       96.56073 892.0411       373.2881 725.8487       99.96306 160.2263 39.88216 156.0913 10.98993 4.135025       41.36865 
1 1 1 -15 9  35 o 283.8808 8.197376 2381.609       136.3347 2832.357       443.9153 2334.666       143.2582 299.9686 25.47399 280.9276 8.705605 19.04102       26.92047 
1 1 1 -15 9  36 o 57.05121 20.60976 86.72572       88.42664 250.7736       385.7243 77.62598       90.84605 100.5866 41.15279 55.84018 20.77065 44.74644       46.09741 
1 1 1 -15 9  37 o 145.6268 11.41359 637.4683       96.70133 840.2144       380.6503 623.4808       99.98141 147.9416 41.95029 143.8391 11.96011 4.102463       43.62191 
1 1 1 -15 9  38 o 113.7822 13.98997 397.9007       91.39291 491.8810       364.4961 391.5958       94.40879 113.1114 41.69031 112.6249 14.63921 0.4864655      44.18584 
1 1 1 -15 9  39 o 139.9640 15.96224 610.0427       128.6877 1109.563       387.3467 548.0671       136.4375 167.3842 40.00395 131.4649 18.18215 35.91930       43.94208 
1 1 1 -15 9  40 o 43.53205 18.92430 -1.689925      90.03944 56.30714       352.3895 -5.740782      93.13082 80.12687 35.99104 43.76183 19.13138 36.36504       40.75984 
1 1 1 -15 9  41 o 142.5045 12.19456 621.0764       100.9380 1367.781       367.2371 560.0553       104.9814 189.6096 34.28617 134.6649 13.47324 54.94469       36.83843 
1 1 1 -15 9  42 o 108.8446 15.34374 375.4241       95.23212 846.5203       321.5182 330.1195       99.70619 141.3091 37.98304 100.8610 17.48939 40.44809       41.81614 
1 1 1 -15 9  43 o 99.38540 17.06064 321.0226       95.86140 299.9734       132.4418 344.1841       138.9277 91.76933 24.24804 98.44910 24.22858 -6.679764      34.27816 
1 1 1 -15 9  44 o 65.52106 22.06031 144.7974       100.2970 79.95548       142.3284 208.7593       141.3592 59.78805 24.78340 76.12000 26.18013 -16.33195      36.05019 
1 1 1 -15 9  45 o 104.9797 17.93174 365.9873       106.4409 392.9789       147.8981 336.9850       153.3080 103.6683 24.68221 94.21609 26.59109 9.452232       36.28081 
1 1 1 -15 9  46 o 114.6272 17.33680 433.8889       112.9117 554.7896       163.7895 324.4007       155.8674 124.7116 23.24892 91.46744 27.11745 33.24418       35.71930 
1 1 1 -15 9  47 o 101.3110 21.05546 360.9561       121.0157 534.9341       174.8646 201.0426       167.6476 119.2533 25.75665 73.44052 28.01787 45.81273       38.05793 
1 1 1 -15 9  48 o 70.03023 25.75524 180.0732       138.9824 267.4243       226.0361 126.9743       176.2326 79.90922 31.92588 65.48199 27.39457 14.42723       42.06809 
1 1 1 -15 10 1  f 408.4123 11.13020 4902.648       266.3467 4912.056       401.9870 4895.286       355.6054 408.1947 16.82776 407.7300 14.89621 0.4646606      22.47378 
1 1 1 -15 10 2  o 340.1117 11.19980 3401.229       223.0950 3248.824       315.4211 3553.795       315.5869 331.8928 16.25419 347.2396 15.53604 -15.34686      22.48482 
1 1 1 -15 10 3  o 891.3421 21.56483 23439.09       1127.304 0.000000       0.000000 23439.09       1127.304 ?        ?        891.3421 21.56483 0.000000       21.56483 
1 1 1 -15 10 4  o 938.1385 18.11402 25920.29       996.6262 25450.19       1674.425 26178.20       1240.242 925.2776 30.89959 941.6997 22.45658 -16.42206      38.19794 
1 1 1 -15 10 5  o 491.7204 11.49891 7102.850       331.6083 7083.925       525.2227 7115.395       427.6146 490.0576 18.30669 491.6400 14.84748 -1.582367      23.57080 
1 1 1 -15 10 6  o 798.9884 15.75600 18784.29       738.3070 19117.46       1266.966 18612.97       908.5049 802.9584 26.94245 794.6128 19.49491 8.345642       33.25578 
1 1 1 -15 10 7  f 187.6196 12.18032 1038.774       133.3011 979.0710       169.9553 1134.214       214.8827 181.6781 16.11785 195.2523 19.00550 -13.57417      24.91975 
1 1 1 -15 10 8  o 503.5079 11.49344 7449.132       339.3961 7772.166       556.2661 7257.566       428.3685 513.1606 18.51361 496.4556 14.72879 16.70502       23.65779 
1 1 1 -15 10 9  o 782.4649 13.45774 18006.19       617.5719 17775.01       864.4597 18247.17       882.5793 776.3022 18.98731 786.5099 19.13370 -10.20770      26.95582 
1 1 1 -15 10 10 o 212.6530 10.33919 1331.640       128.5598 1351.620       166.9784 1302.556       201.4593 213.9473 13.37460 209.6240 16.52030 4.323318       21.25559 
1 1 1 -15 10 11 o 160.9414 12.10314 765.8939       113.4025 685.7936       144.3833 894.8759       183.2163 151.6624 16.49819 173.2030 18.31379 -21.54057      24.64924 
1 1 1 -15 10 12 o 532.5754 10.29820 8335.032       321.6570 8459.862       463.1450 8218.719       447.0646 535.7490 14.75430 528.1080 14.44792 7.641052       20.65023 
1 1 1 -15 10 13 o 273.6346 10.36127 2203.901       165.9775 2071.512       214.6769 2400.643       261.7021 264.8756 13.86783 284.9327 15.72175 -20.05713      20.96402 
1 1 1 -15 10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 16 o 289.1576 9.702863 2461.140       164.3120 2532.944       196.6928 2295.300       298.9221 293.1326 11.46336 277.8386 18.44940 15.29407       21.72070 
1 1 1 -15 10 17 o 421.6071 12.01029 5240.135       296.6668 5445.103       408.0449 5010.301       432.0872 428.8439 16.25342 410.8972 17.97379 17.94669       24.23285 
1 1 1 -15 10 18 o 440.2172 9.010065 5698.625       232.6191 5603.073       332.1663 5790.588       325.8703 435.6592 13.01504 442.9977 12.55541 -7.338470      18.08396 
1 1 1 -15 10 19 o 386.3018 8.537019 4387.945       193.4120 4447.375       281.6349 4334.898       266.0793 388.1297 12.38841 383.2950 11.85085 4.834686       17.14396 
1 1 1 -15 10 20 o 336.9974 10.03491 3346.749       198.1101 3294.293       427.1501 3361.125       223.6150 331.2120 22.11667 337.4958 11.31348 -6.283813      24.84234 
1 1 1 -15 10 21 o 204.0122 8.672971 1226.693       103.5339 1208.190       145.2936 1245.782       147.5710 201.9430 12.32653 205.0717 12.32691 -3.128754      17.43262 
1 1 1 -15 10 22 o 336.6478 8.046471 3333.581       158.8663 3473.429       235.0312 3215.934       215.5699 342.8526 11.70591 330.0015 11.15441 12.85110       16.16938 
1 1 1 -15 10 23 o 236.8578 8.200832 1652.597       113.7472 1607.001       162.4423 1696.462       159.3285 232.9728 11.92866 239.4881 11.37633 -6.515366      16.48374 
1 1 1 -15 10 24 o 250.7171 8.237215 1851.734       120.9553 1906.705       177.9904 1804.566       164.8748 253.7722 11.99313 246.9790 11.41352 6.793198       16.55607 
1 1 1 -15 10 25 o 296.7511 9.747607 2597.904       169.4147 2840.154       222.1360 2261.088       261.9287 309.7623 12.25173 275.3115 16.29503 34.45087       20.38707 
1 1 1 -15 10 26 o 434.4109 9.090134 5557.591       231.5909 5560.759       340.9617 5554.878       315.5504 433.2348 13.43560 433.3248 12.42950 -0.8999634E-01 18.30322 
1 1 1 -15 10 27 o 336.7679 7.798906 3336.194       154.0334 3560.250       487.3492 3311.328       162.3561 342.3875 24.43064 335.4473 8.252657 6.940186       25.78687 
1 1 1 -15 10 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 29 o 404.4406 8.558755 4816.872       203.0092 0.000000       0.000000 4816.872       203.0092 ?        ?        404.4406 8.558755 0.000000       8.558755 
1 1 1 -15 10 30 o 229.6779 11.95581 1565.125       160.4911 0.000000       0.000000 1565.125       160.4911 ?        ?        229.6779 11.95581 0.000000       11.95581 
1 1 1 -15 10 31 f 58.93353 20.31856 96.30740       85.16370 465.2773       387.4560 77.57639       87.29864 121.8241 43.24202 55.84463 20.43288 65.97943       47.82651 
1 1 1 -15 10 32 o 125.7248 13.00104 474.5843       94.48124 400.3377       380.5172 479.4624       97.53567 115.2174 42.57367 126.2918 13.37141 -11.07440      44.62412 
1 1 1 -15 10 33 o 260.0841 8.011602 1996.584       122.0578 1934.856       428.4031 2002.037       127.3354 245.7348 30.37169 260.3664 8.349794 -14.63155      31.49855 
1 1 1 -15 10 34 o 71.40145 20.17317 159.6539       88.18748 -156.2699      397.6911 175.9920       90.43906 81.10838 37.13647 74.75542 20.16714 6.352966       42.25910 
1 1 1 -15 10 35 o 299.3156 8.107320 2647.820       142.1861 3155.273       487.6003 2600.660       148.6464 315.2175 26.62437 296.5039 8.557125 18.71356       27.96572 
1 1 1 -15 10 36 o 265.6695 8.126698 2089.108       126.4723 2097.083       450.7043 2088.426       131.7664 250.9220 31.30600 265.5190 8.472568 -14.59697      32.43224 
1 1 1 -15 10 37 o 249.0741 8.224076 1840.319       119.9694 2089.566       427.6434 1819.027       124.9885 249.1393 29.86201 247.4860 8.624482 1.653305       31.08250 
1 1 1 -15 10 38 f 55.20491 20.59038 79.46009       89.39397 -185.4832      376.7294 95.26817       92.02222 73.19790 34.39720 58.21559 21.02538 14.98231       40.31419 
1 1 1 -15 10 39 o 177.9883 9.888304 950.3898       102.8143 674.4791       363.2332 974.4208       107.1982 126.4435 41.97111 180.1060 10.19024 -53.66257      43.19045 
1 1 1 -15 10 40 o 222.0828 9.603552 1478.822       124.7871 0.000000       0.000000 1478.822       124.7871 ?        ?        222.0828 9.603552 0.000000       9.603552 
1 1 1 -15 10 41 f 152.9999 11.63171 713.5872       103.5901 326.6007       338.9472 753.4579       108.7957 93.72102 38.48644 157.1018 11.89652 -63.38078      40.28316 
1 1 1 -15 10 42 o 150.9637 11.54946 696.6422       101.4786 905.6241       341.2290 676.3662       106.2875 144.1960 39.28889 148.3208 12.33023 -4.124878      41.17829 
1 1 1 -15 10 43 o 60.34619 21.30604 115.2255       93.95759 481.9257       316.0362 79.67129       98.40715 102.8038 38.63846 55.00469 21.33994 47.79910       44.13982 
1 1 1 -15 10 44 o 102.4141 17.48702 345.0400       101.2653 550.1475       144.5732 147.4864       141.8860 127.9364 19.91625 67.54984 25.77426 60.38660       32.57253 
1 1 1 -15 10 45 o 44.27571 19.70135 -9.254452      102.9778 -22.04848      142.1973 4.855207       149.3296 49.92056 22.60214 53.10674 23.67179 -3.186172      32.72935 
1 1 1 -15 10 46 o 43.23499 19.73641 -36.00231      111.2265 67.52710       158.1001 -137.4572      156.5080 59.21976 25.40564 44.58683 21.30267 14.63293       33.15494 
1 1 1 -15 10 47 o 111.2516 19.37491 423.3542       121.8234 512.3414       183.3156 352.9707       163.0314 114.4319 27.63040 94.12122 27.68951 20.31067       39.11711 
1 1 1 -15 10 48 o 53.53045 23.09098 45.64509       131.9736 133.8986       205.4709 -16.33222      172.1871 67.53515 28.96766 53.49169 24.47077 14.04346       37.92023 
1 1 1 -15 11 1  o 316.2792 27.79901 2986.412       510.4036 0.000000       0.000000 2986.412       510.4036 ?        ?        316.2792 27.79901 0.000000       27.79901 
1 1 1 -15 11 2  o 416.1295 16.62078 5105.181       404.8143 5105.181       404.8143 0.000000       0.000000 416.1295 16.62078 ?        ?        0.000000       16.62078 
1 1 1 -15 11 3  o 453.1845 14.91787 6047.622       395.9499 0.000000       0.000000 6047.622       395.9499 ?        ?        453.1845 14.91787 0.000000       14.91787 
1 1 1 -15 11 4  o 508.7224 11.75521 7603.923       350.7211 7786.745       561.2397 7486.790       449.2384 513.7007 18.65992 504.2279 15.20885 9.472809       24.07284 
1 1 1 -15 11 5  o 867.2959 16.87401 22149.61       858.2940 22196.87       1461.179 22124.72       1060.541 864.2997 28.86678 865.8506 20.88498 -1.550903      35.62967 
1 1 1 -15 11 6  o 479.9386 11.18538 6767.346       314.8379 6727.384       497.6794 6794.009       406.5211 477.4975 17.80284 480.3633 14.44629 -2.865845      22.92676 
1 1 1 -15 11 7  o 770.5248 15.28247 17474.61       690.6067 17377.11       1160.904 17528.01       859.1674 765.2958 25.90256 770.9210 19.00279 -5.625122      32.12551 
1 1 1 -15 11 8  o 79.60275 21.15782 193.7953       100.4587 148.3382       123.6569 282.0324       172.2832 73.02902 24.49423 96.62746 28.47430 -23.59844      37.56000 
1 1 1 -15 11 9  o 219.8759 10.62222 1423.823       136.5705 1427.833       181.6645 1418.610       207.1064 219.8176 14.16693 218.8388 16.25288 0.9787903      21.56056 
1 1 1 -15 11 10 o 694.5233 12.34182 14185.73       502.7088 13843.50       701.7356 14546.52       720.5114 684.8792 17.48495 702.2762 17.49373 -17.39703      24.73366 
1 1 1 -15 11 11 o 332.8909 9.111502 3257.467       177.7190 3395.384       250.1842 3116.990       252.4969 339.5010 12.58696 325.1810 13.26763 14.32001       18.28829 
1 1 1 -15 11 12 o 253.0947 9.232327 1884.381       136.8095 1695.051       184.0989 2117.893       204.4539 239.6169 13.15078 267.9335 13.05047 -28.31659      18.52722 
1 1 1 -15 11 13 o 457.7478 14.80867 6182.363       397.0278 5836.863       583.8908 6479.483       541.4700 442.9532 22.55042 467.5099 19.79324 -24.55670      30.00489 
1 1 1 -15 11 14 o 322.8916 9.289857 3066.553       175.7376 2949.255       263.5606 3160.451       235.8094 315.9973 14.25827 327.4321 12.30162 -11.43481      18.83158 
1 1 1 -15 11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 11 16 f 887.4951 17.25462 23308.33       898.0942 27027.67       1759.921 21998.74       1044.303 944.9811 31.80085 860.4933 20.69323 84.48779       37.94079 
1 1 1 -15 11 17 o 593.9360 10.68622 10384.12       372.2324 10348.28       529.3456 10419.18       523.5349 591.5364 15.27111 593.6326 15.04969 -2.096252      21.44062 
1 1 1 -15 11 18 o 382.1886 8.571562 4294.828       192.1269 4716.909       291.8753 3972.113       255.2166 399.7390 12.46526 366.9068 11.87613 32.83212       17.21701 
1 1 1 -15 11 19 o 185.9890 9.204795 1020.229       100.0923 984.9321       134.8510 1063.531       149.3624 182.2579 12.69524 189.2845 13.54427 -7.026657      18.56384 
1 1 1 -15 11 20 o 277.6274 8.087024 2268.381       131.5341 2230.503       190.2566 2303.061       182.0494 274.7307 11.83592 279.2941 11.13650 -4.563354      16.25148 
1 1 1 -15 11 21 o 287.4656 8.179383 2432.654       137.7575 2358.823       200.7776 2498.326       189.3603 282.4028 12.15103 290.8479 11.12176 -8.445038      16.47243 
1 1 1 -15 11 22 o 126.2980 11.86358 475.0378       86.84551 441.8937       119.2713 512.4399       126.7014 120.6947 17.34769 130.2211 16.99527 -9.526329      24.28542 
1 1 1 -15 11 23 o 72.99500 18.52700 165.0569       79.43636 342.1754       111.9046 -14.84507      112.7805 105.5777 18.76014 48.78435 21.19391 56.79335       28.30415 
1 1 1 -15 11 24 o 326.0214 13.41975 3151.328       256.0424 2943.152       434.3500 3262.191       316.9704 311.3279 23.97323 330.8346 16.38744 -19.50665      29.03901 
1 1 1 -15 11 25 o 253.3903 10.70119 1897.353       158.6695 1889.862       211.6257 1906.971       239.7892 252.1137 14.37224 252.7723 16.26147 -0.6585388     21.70245 
1 1 1 -15 11 26 o 252.7514 9.064681 1883.667       134.1507 2587.672       452.7931 1815.924       140.4567 290.5710 26.87476 248.0637 9.673017 42.50732       28.56256 
1 1 1 -15 11 27 o 356.1574 9.669313 3740.648       201.7837 0.000000       0.000000 3740.648       201.7837 ?        ?        356.1574 9.669313 0.000000       9.669313 
1 1 1 -15 11 28 o 391.2616 11.88662 4528.192       272.4408 0.000000       0.000000 4528.192       272.4408 ?        ?        391.2616 11.88662 0.000000       11.88662 
1 1 1 -15 11 29 f 174.6232 9.948617 902.4161       101.4646 0.000000       0.000000 902.4161       101.4646 ?        ?        174.6232 9.948617 0.000000       9.948617 
1 1 1 -15 11 30 f 316.3963 7.825870 2947.492       145.2160 3903.568       480.6156 2851.441       152.3360 357.9290 23.01753 310.9987 8.359636 46.93039       24.48857 
1 1 1 -15 11 31 f 165.7667 10.11311 814.9771       97.85009 352.3649       400.1061 844.4059       100.9145 112.8495 43.22655 168.7187 10.24689 -55.86922      44.42447 
1 1 1 -15 11 32 o 57.15786 20.71844 84.02613       89.45863 -389.1680      386.1703 110.8599       91.96015 71.30364 33.89711 62.27069 21.12309 9.032948       39.93995 
1 1 1 -15 11 33 f 72.82706 20.18070 166.2173       89.16925 59.40342       390.9738 172.0781       91.58293 91.54260 39.61656 74.04582 20.42647 17.49678       44.57256 
1 1 1 -15 11 34 o 253.8256 8.544626 1905.140       127.0163 1564.984       441.6425 1935.812       132.6194 215.4785 36.23191 255.7846 8.853954 -40.30612      37.29804 
1 1 1 -15 11 35 o 254.4274 8.595356 1916.471       128.0720 1156.970       461.2925 1979.905       133.3131 176.4341 44.57249 258.5480 8.804713 -82.11391      45.43380 
1 1 1 -15 11 36 o 254.3129 10.95681 1931.359       163.0358 0.000000       0.000000 1931.359       163.0358 ?        ?        254.3129 10.95681 0.000000       10.95681 
1 1 1 -15 11 37 o 181.9342 9.710390 988.4962       103.2346 786.0086       412.2792 1002.041       106.6317 138.4708 44.64058 183.0913 9.968024 -44.62047      45.73995 
1 1 1 -15 11 38 o 212.3889 8.841885 1344.745       109.8946 1481.577       393.6817 1333.182       114.4439 201.8969 34.48533 211.3066 9.257298 -9.409653      35.70624 
1 1 1 -15 11 39 o 106.5424 15.23729 355.1100       92.50149 611.8570       383.1066 339.2154       95.32177 119.1934 42.91940 103.6762 16.20726 15.51716       45.87756 
1 1 1 -15 11 40 o 89.31140 18.33415 259.6912       92.81299 426.9620       328.1740 245.1488       96.76344 102.9164 39.21539 86.17540 19.59114 16.74101       43.83674 
1 1 1 -15 11 41 o 112.9422 15.73564 404.4524       101.4034 1055.295       352.2705 345.6503       105.8851 159.4474 38.17722 103.0026 18.19325 56.44483       42.29060 
1 1 1 -15 11 42 o 160.5540 11.15277 785.9614       104.3629 1152.611       333.4728 746.1517       109.8827 170.4469 34.54406 155.8840 12.11427 14.56287       36.60667 
1 1 1 -15 11 43 o 133.5179 12.96370 554.2806       100.2362 1340.556       358.5032 487.6016       104.4000 181.6423 34.92136 124.2214 14.60921 57.42085       37.85406 
1 1 1 -15 11 44 o 74.58389 21.21421 194.1220       97.19404 342.4877       134.5735 32.34097       140.5259 97.61220 23.73921 54.56976 23.68288 43.04244       33.53250 
1 1 1 -15 11 45 o 60.35904 22.68335 113.9132       108.9147 112.1080       151.3528 115.8520       156.8517 63.40447 25.83983 64.23175 26.25647 -0.8272781     36.83882 
1 1 1 -15 11 46 o 88.81800 21.78119 281.8961       112.5765 326.7501       165.8861 243.6026       153.2751 90.37576 28.21952 79.29956 27.26170 11.07619       39.23700 
1 1 1 -15 11 47 o 62.82281 23.57395 131.3052       117.5409 81.19964       182.1049 167.0873       153.8904 62.18225 26.97340 68.96895 26.70571 -6.786697      37.95733 
1 1 1 -15 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 12 2  o 510.2914 18.57670 7686.068       555.0242 7686.068       555.0242 0.000000       0.000000 510.2914 18.57670 ?        ?        0.000000       18.57670 
1 1 1 -15 12 3  f 417.4967 13.26910 5130.321       324.4839 4713.613       379.2530 6268.660       626.8291 399.7908 16.20866 459.8472 23.31874 -60.05643      28.39867 
1 1 1 -15 12 4  o 513.3481 11.54497 7743.931       347.5804 7677.167       554.1612 7787.231       446.2780 509.9473 18.56032 514.2201 14.81354 -4.272766      23.74713 
1 1 1 -15 12 5  o 418.8840 10.71299 5158.275       262.9652 5345.519       406.1536 5023.133       345.0507 425.7261 16.29717 412.9516 14.26876 12.77454       21.66092 
1 1 1 -15 12 6  o 182.5600 11.46249 983.3197       122.1062 896.4991       154.2628 1128.979       199.8109 173.8425 15.28605 194.9129 17.67130 -21.07031      23.36532 
1 1 1 -15 12 7  o 287.6756 10.03409 2434.038       169.0309 2577.604       240.3289 2293.497       237.7830 295.6517 13.89929 278.7611 14.59532 16.89059       20.15474 
1 1 1 -15 12 8  o 355.8143 9.930909 3722.224       207.0322 3945.496       320.8435 3562.932       271.0022 365.7397 14.98966 347.7456 13.31262 17.99411       20.04784 
1 1 1 -15 12 9  o 44.95010 19.21245 -3.054101      89.80166 5.997104       108.9319 -22.25329      158.6512 50.57187 21.36933 58.05684 25.18026 -7.484966      33.02565 
1 1 1 -15 12 10 o 592.5289 12.43190 10328.52       432.0138 9945.069       696.9481 10567.80       550.5406 579.4629 20.54053 598.5793 15.69611 -19.11646      25.85114 
1 1 1 -15 12 11 o 587.7706 10.98388 10157.84       378.6293 10026.19       536.0887 10288.88       534.8389 582.9286 15.69517 590.5763 15.45503 -7.647705      22.02718 
1 1 1 -15 12 12 o 400.8389 15.20049 4744.146       356.6895 4494.364       530.7739 4949.845       481.6646 388.2855 23.41699 408.3925 20.17263 -20.10706      30.90777 
1 1 1 -15 12 13 o 202.8483 11.63599 1214.754       137.8476 1267.047       155.6340 1024.392       296.9402 207.0290 12.88190 182.9376 28.61367 24.09140       31.37970 
1 1 1 -15 12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 12 15 o 661.4587 13.27534 12899.11       514.9901 11742.36       817.1735 13661.21       663.2833 627.6999 22.23300 679.6789 16.63967 -51.97900      27.77022 
1 1 1 -15 12 16 o 386.5141 12.00573 4406.021       271.8176 0.000000       0.000000 4406.021       271.8176 ?        ?        386.5141 12.00573 0.000000       12.00573 
1 1 1 -15 12 17 o 263.5266 8.867177 2044.512       136.8489 1892.084       200.0096 2178.682       187.6484 252.8234 13.53848 271.6385 11.80705 -18.81516      17.96376 
1 1 1 -15 12 18 o 430.3010 11.86252 5463.340       299.0786 5441.860       411.7826 5487.323       435.1021 428.2426 16.42607 429.7551 17.29848 -1.512482      23.85483 
1 1 1 -15 12 19 o 251.1326 8.403619 1856.890       123.5970 1824.637       174.1080 1889.656       175.4852 248.4193 11.98577 252.8367 11.86761 -4.417374      16.86710 
1 1 1 -15 12 20 o 368.5807 8.454988 3996.529       182.7663 3850.637       263.4656 4131.859       253.7493 360.9006 12.46632 374.0676 11.58051 -13.16705      17.01521 
1 1 1 -15 12 21 o 233.7138 8.340356 1609.132       114.1360 1801.142       169.5566 1450.040       154.3397 246.7403 11.75098 221.2969 11.93609 25.44341       16.74980 
1 1 1 -15 12 22 o 57.26116 19.61153 90.24552       79.30077 80.74494       107.7730 101.4624       117.1036 59.86662 22.54997 64.34689 23.64529 -4.480270      32.67416 
1 1 1 -15 12 23 o 61.23629 19.41921 110.5325       78.26320 158.1837       105.4557 52.10902       116.7687 72.52344 22.47684 57.39378 22.94110 15.12966       32.11701 
1 1 1 -15 12 24 o 322.3730 7.378279 3056.133       139.4968 2835.223       427.4015 3082.471       147.5786 305.5025 24.04829 323.7087 7.773534 -18.20618      25.27346 
1 1 1 -15 12 25 o 127.1648 11.89696 481.7484       87.69652 331.4451       374.3008 490.4784       90.20737 112.0753 42.06513 128.2815 12.13446 -16.20624      43.78036 
1 1 1 -15 12 26 o 298.0786 9.193824 2619.319       160.5306 2833.616       465.1519 2590.344       171.0392 304.4293 26.31101 296.3066 9.856180 8.122681       28.09650 
1 1 1 -15 12 27 o 639.8389 10.32202 12073.65       387.3342 13353.07       987.3971 11840.96       421.0856 662.9509 25.44291 633.2717 11.33783 29.67926       27.85477 
1 1 1 -15 12 28 f 249.0806 8.462520 1828.864       123.4409 2420.193       444.1441 1779.363       128.5038 280.1453 27.38195 245.6084 8.936071 34.53687       28.80321 
1 1 1 -15 12 29 o 236.8810 10.04839 1658.898       139.2802 0.000000       0.000000 1658.898       139.2802 ?        ?        236.8810 10.04839 0.000000       10.04839 
1 1 1 -15 12 30 o 174.7648 10.20873 905.2316       104.1792 2236.938       435.1218 824.2500       107.3000 267.5775 28.14860 166.5826 11.04535 100.9949       30.23812 
1 1 1 -15 12 31 o 188.4246 9.400039 1050.958       103.5486 1742.759       469.2477 1015.546       106.1657 230.3892 35.89816 185.1368 9.812845 45.25244       37.21518 
1 1 1 -15 12 32 o 66.78632 20.96125 135.2338       91.40584 -345.8483      393.9273 162.6099       93.97059 73.59793 34.76527 72.26431 20.95589 1.333618       40.59278 
1 1 1 -15 12 33 o 27.55877 13.69218 -206.5507      85.59447 -195.8668      398.6159 -207.0671      87.63876 79.61510 36.71777 28.08236 13.93563 51.53275       39.27335 
1 1 1 -15 12 34 o 307.9119 8.259728 2802.208       149.0220 3208.662       495.3179 2761.756       156.2619 318.0556 26.80324 305.5393 8.729331 12.51624       28.18891 
1 1 1 -15 12 35 o 204.9351 11.12237 1253.665       133.1783 1203.972       438.5115 1258.714       139.7807 181.3715 42.04588 205.1686 11.66484 -23.79713      43.63398 
1 1 1 -15 12 36 f 195.3303 9.262277 1135.618       105.8032 792.8929       405.6755 1160.632       109.5962 141.6258 44.11584 197.4007 9.494493 -55.77484      45.12597 
1 1 1 -15 12 37 o 182.7064 10.03845 999.1533       107.1516 751.8774       404.2237 1017.842       111.1271 134.4972 44.26114 184.3056 10.32214 -49.80840      45.44882 
1 1 1 -15 12 38 o 192.5819 9.484471 1109.581       106.7926 1068.412       429.2806 1112.297       110.2589 158.3412 44.42857 192.6939 9.788589 -34.35269      45.49412 
1 1 1 -15 12 39 o 185.0031 9.902283 1027.824       107.0483 1041.985       396.6879 1026.711       111.1727 157.1997 42.16198 184.7243 10.30262 -27.52455      43.40249 
1 1 1 -15 12 40 o 149.6909 12.87063 687.8771       111.8955 0.000000       0.000000 687.8771       111.8955 ?        ?        149.6909 12.87063 0.000000       12.87063 
1 1 1 -15 12 41 o 119.4902 14.05426 446.1414       96.60855 520.3588       346.9891 439.9048       100.5858 107.1625 40.44081 118.2408 14.83038 -11.07835      43.07435 
1 1 1 -15 12 42 o 101.8412 16.53133 334.7049       95.35474 1046.334       353.4752 278.8535       99.02598 155.1815 38.91404 91.42779 19.08545 63.75375       43.34232 
1 1 1 -15 12 43 o 51.81121 20.84698 60.27957       97.09123 -253.9523      341.0872 87.98575       101.2811 62.44359 30.23913 56.33889 21.70518 6.104698       37.22257 
1 1 1 -15 12 44 o 124.8671 15.35029 499.8160       110.0499 320.6854       370.2209 517.1782       115.2598 87.45837 38.19114 126.6889 15.85926 -39.23048      41.35310 
1 1 1 -15 12 45 o 130.7051 14.74564 545.5002       111.0626 540.9389       158.1766 549.9357       155.9789 123.7945 22.61991 125.3918 22.01289 -1.597321      31.56308 
1 1 1 -15 12 46 o 88.91222 22.06947 284.4670       114.5412 328.8914       171.5480 248.7301       153.8627 89.97152 28.77538 79.82556 27.31804 10.14596       39.67742 
1 1 1 -15 12 47 o 86.06372 23.87444 276.8226       124.7241 342.5292       183.8397 220.7870       169.7721 90.29903 29.85503 75.46775 28.32893 14.83128       41.15642 
1 1 1 -15 13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 13 2  o 650.1942 16.83214 12465.30       641.3093 13007.29       878.0923 11845.71       938.8500 662.7285 22.62514 631.5947 25.39766 31.13373       34.01380 
1 1 1 -15 13 3  o 403.9825 10.74157 4798.700       254.2701 4952.479       381.2530 4675.499       341.2480 409.7555 15.89507 398.2952 14.63368 11.46033       21.60550 
1 1 1 -15 13 4  o 642.1791 15.79471 12146.79       594.8650 11391.43       793.1447 13118.01       899.3640 620.2664 21.83744 665.2983 23.08485 -45.03192      31.77710 
1 1 1 -15 13 5  o 719.5192 14.49198 15239.70       611.5341 14720.58       997.5692 15552.24       774.0311 704.3469 24.18525 725.8328 18.19759 -21.48590      30.26679 
1 1 1 -15 13 6  o 238.6416 10.29167 1676.431       143.7012 1759.792       192.9364 1572.571       215.3554 244.1806 13.52547 230.4669 16.03293 13.71373       20.97602 
1 1 1 -15 13 7  o 290.2229 9.823916 2477.446       166.9707 2578.511       238.5182 2380.325       233.8166 295.6614 13.79352 284.0103 14.08144 11.65106       19.71162 
1 1 1 -15 13 8  o 621.0015 12.91022 11347.42       470.1937 10972.72       761.2530 11578.54       597.8706 608.4881 21.36490 626.4510 16.28688 -17.96295      26.86487 
1 1 1 -15 13 9  o 376.5229 9.911390 4168.975       218.6748 4170.889       333.5437 4167.532       289.5974 375.9013 15.16074 376.0551 13.15108 -0.1538391     20.06985 
1 1 1 -15 13 10 f 357.3596 9.842633 3755.992       206.0884 3862.976       313.7497 3674.803       273.3210 361.7420 14.82021 353.0492 13.22377 8.692871       19.86220 
1 1 1 -15 13 11 o 537.0833 11.53754 8486.314       363.4170 7924.810       572.0975 8866.182       470.5536 517.2632 18.89026 548.2344 14.64811 -30.97119      23.90416 
1 1 1 -15 13 12 o 323.1530 8.927209 3070.985       169.0278 3077.973       235.6983 3063.586       242.5308 323.0845 12.46250 322.2699 12.85788 0.8146362      17.90639 
1 1 1 -15 13 13 f 649.9188 22.80498 12584.36       867.8920 0.000000       0.000000 12584.36       867.8920 ?        ?        649.9188 22.80498 0.000000       22.80498 
1 1 1 -15 13 14 f 476.5488 9.538313 6678.065       266.5811 6308.777       370.9980 7072.268       383.3087 462.3000 13.69861 489.5751 13.36242 -27.27509      19.13651 
1 1 1 -15 13 15 o 419.9384 8.874064 5184.807       218.5540 4970.688       305.1434 5410.349       313.1771 410.4204 12.69249 428.2467 12.48272 -17.82629      17.80218 
1 1 1 -15 13 16 o 273.9174 8.771412 2208.531       140.7277 2109.271       208.1409 2292.115       191.0000 267.0179 13.33346 278.6505 11.71366 -11.63269      17.74799 
1 1 1 -15 13 17 o 274.6580 8.891348 2221.146       143.0335 1900.377       207.5784 2511.132       197.3674 253.2323 14.03182 291.6576 11.56147 -38.42529      18.18129 
1 1 1 -15 13 18 o 306.2017 8.285840 2759.182       148.6604 2691.541       210.4868 2826.503       209.9893 301.8491 11.91347 309.3952 11.59316 -7.546112      16.62324 
1 1 1 -15 13 19 o 421.3403 8.815479 5223.721       217.8359 5283.515       317.3971 5170.476       299.5132 422.7478 12.81660 418.3515 12.22052 4.396301       17.70894 
1 1 1 -15 13 20 o 327.2165 8.221018 3151.808       157.6403 3113.550       229.8855 3185.767       216.5828 324.4978 12.10071 328.4258 11.26106 -3.928040      16.52993 
1 1 1 -15 13 21 o 93.29616 15.58403 265.0276       82.26401 255.5694       112.9610 275.7081       120.0391 90.55005 21.57862 94.00136 22.14135 -3.451309      30.91725 
1 1 1 -15 13 22 o 71.14048 18.86508 156.4807       79.98244 187.0642       112.1960 124.8774       114.0513 78.08873 22.96972 67.57305 23.50234 10.51568       32.86287 
1 1 1 -15 13 23 o 478.1174 8.466269 6728.457       237.3980 6297.440       584.0724 6813.754       259.8286 457.2615 21.84284 480.9733 9.211184 -23.71179      23.70560 
1 1 1 -15 13 24 o 45.77645 19.15254 12.52607       86.15343 -531.3928      361.5242 45.27493       88.70914 64.77582 31.31130 51.04377 20.12610 13.73204       37.22173 
1 1 1 -15 13 25 o 302.9697 7.860542 2702.058       139.5517 2448.942       445.1584 2729.644       146.9596 282.4734 27.20735 304.4558 8.238014 -21.98242      28.42719 
1 1 1 -15 13 26 o 475.8074 8.666368 6665.008       241.8348 6957.458       676.0564 6622.095       258.9706 479.2379 24.13132 474.1283 9.313309 5.109650       25.86616 
1 1 1 -15 13 27 o 524.8325 9.173433 8115.017       282.3600 8224.023       719.7140 8095.187       306.9705 521.0794 23.61215 523.9642 9.989519 -2.884766      25.63833 
1 1 1 -15 13 28 o 221.1325 10.42501 1446.568       134.8202 0.000000       0.000000 1446.568       134.8202 ?        ?        221.1325 10.42501 0.000000       10.42501 
1 1 1 -15 13 29 o 270.6098 11.43082 2169.836       181.0058 0.000000       0.000000 2169.836       181.0058 ?        ?        270.6098 11.43082 0.000000       11.43082 
1 1 1 -15 13 30 o 167.1457 10.62759 829.4858       103.6395 991.3433       431.2223 819.5634       106.7690 169.1672 43.28989 166.0608 11.02539 3.106415       44.67185 
1 1 1 -15 13 31 o 38.94930 17.68035 -48.29972      87.69360 228.1514       424.8335 -60.60318      89.62376 105.0695 43.11058 38.30836 17.57330 66.76115       46.55473 
1 1 1 -15 13 32 o 189.0469 9.770867 1059.693       107.9635 910.9426       434.7688 1069.468       111.4546 159.5223 44.69434 189.8598 10.04530 -30.33743      45.80930 
1 1 1 -15 13 33 o 284.7424 8.421611 2396.164       140.4819 0.000000       0.000000 2396.164       140.4819 ?        ?        284.7424 8.421611 0.000000       8.421611 
1 1 1 -15 13 34 o 140.0636 12.20044 589.0850       99.22018 547.8804       429.5132 591.4078       101.9785 124.8200 45.37564 140.2523 12.52972 -15.43228      47.07380 
1 1 1 -15 13 35 o 136.3011 12.73810 561.0851       100.6457 1053.424       469.6375 537.3852       103.0396 163.4755 46.67665 133.1698 13.37399 30.30569       48.55485 
1 1 1 -15 13 36 o 184.6518 9.879685 1018.258       106.6015 632.1502       452.2970 1040.967       109.6917 125.1666 46.38556 186.6439 10.05811 -61.47728      47.46352 
1 1 1 -15 13 37 o 74.70168 19.93493 181.9202       88.95819 -243.7341      439.4936 200.1043       90.83848 76.46959 36.29784 78.33602 19.77359 -1.866432      41.33434 
1 1 1 -15 13 38 o 175.6526 10.24692 927.4360       105.1015 882.2758       415.9080 930.5166       108.6271 141.3735 44.75820 175.8018 10.58475 -34.42827      45.99275 
1 1 1 -15 13 39 o 182.7003 11.97643 1014.491       127.6192 978.4893       388.0395 1018.857       135.1367 151.0220 42.19209 182.7033 12.69065 -31.68132      44.05933 
1 1 1 -15 13 40 o 113.1684 15.21184 403.3824       98.40741 775.8121       354.6299 372.3119       102.4301 131.6963 41.28085 107.9010 16.72757 23.79533       44.54122 
1 1 1 -15 13 41 o 90.22884 18.90507 270.0297       96.83257 334.0419       355.8784 264.9116       100.6293 92.69888 38.86491 88.87853 19.81143 3.820351       43.62309 
1 1 1 -15 13 42 o 280.5304 8.336985 2357.951       137.0116 2736.408       430.9508 2315.396       144.5095 276.2728 26.93920 277.5819 8.888223 -1.309113      28.36760 
1 1 1 -15 13 43 f 205.6255 9.713184 1280.916       116.8046 1260.892       383.7584 1282.960       122.6225 166.6836 39.80639 205.4468 10.20899 -38.76320      41.09467 
1 1 1 -15 13 44 o 33.75096 16.43834 -157.7068      104.7137 -617.0469      382.5024 -120.4929      108.8728 56.02044 28.00738 36.80999 17.63556 19.21045       33.09723 
1 1 1 -15 13 45 o 100.3165 18.89079 341.2763       107.0639 370.0119       147.4148 309.1987       155.7515 99.39207 25.24501 88.98875 27.26945 10.40332       37.16092 
1 1 1 -15 13 46 o 61.14012 23.95906 115.4079       125.0461 178.2991       175.0428 49.86287       178.6976 70.97601 28.18074 59.42670 26.22206 11.54932       38.49351 
1 1 1 -15 13 47 o 115.2620 20.43013 463.4996       133.0490 405.6573       188.2402 521.2429       188.0792 97.91453 29.97409 114.0885 28.25768 -16.17393      41.19397 
1 1 1 -15 14 1  o 430.4590 16.45566 5469.605       414.6647 5469.605       414.6647 0.000000       0.000000 430.4590 16.45566 ?        ?        0.000000       16.45566 
1 1 1 -15 14 2  o 551.6851 19.65190 9002.523       634.8221 9002.523       634.8221 0.000000       0.000000 551.6851 19.65190 ?        ?        0.000000       19.65190 
1 1 1 -15 14 3  o 771.1437 15.35568 17518.18       694.4722 15913.28       1084.719 18632.99       904.0475 731.6719 25.31657 794.2134 19.40902 -62.54150      31.90045 
1 1 1 -15 14 4  o 704.4249 14.30177 14610.21       590.8470 14353.63       971.3135 14760.92       744.4122 695.3068 23.85482 706.9957 17.96794 -11.68890      29.86468 
1 1 1 -15 14 5  f 796.4154 15.72702 18693.49       734.5757 18651.93       1237.718 18716.09       912.6979 791.3585 26.70673 795.8040 19.55557 -4.445496      33.10090 
1 1 1 -15 14 6  o 310.1228 9.882208 2828.921       179.5078 3028.413       259.7943 2646.663       248.3192 320.4186 13.85764 299.4603 14.17933 20.95834       19.82644 
1 1 1 -15 14 7  o 480.8319 11.02800 6797.753       310.9859 6601.904       486.8741 6932.724       404.1808 472.5620 17.59813 484.9476 14.22657 -12.38559      22.62939 
1 1 1 -15 14 8  o 351.3835 9.935772 3631.694       204.5490 3887.773       311.5017 3437.567       271.2162 362.9312 14.66496 341.3992 13.57279 21.53201       19.98203 
1 1 1 -15 14 9  o 269.7348 9.442071 2140.698       149.1367 2304.078       216.7433 1993.792       205.5257 279.4068 13.26478 259.8322 13.53388 19.57455       18.95047 
1 1 1 -15 14 10 o 410.1323 10.11332 4945.443       243.2587 5026.955       382.5038 4890.087       315.2169 412.4174 15.84371 407.2429 13.21542 5.174500       20.63178 
1 1 1 -15 14 11 o 224.2184 9.363764 1480.313       122.8613 1382.175       163.1058 1609.034       186.7986 216.2323 12.92062 233.2502 13.71584 -17.01791      18.84321 
1 1 1 -15 14 12 o 202.9060 10.09370 1213.852       119.7375 1266.711       151.9198 1127.168       194.5474 206.9851 12.57415 194.4722 17.23588 12.51285       21.33506 
1 1 1 -15 14 13 o 507.0965 9.849771 7563.542       292.9323 7623.462       419.4759 7506.507       409.2511 508.1017 14.09047 504.2451 13.85190 3.856567       19.75896 
1 1 1 -15 14 14 o 436.8614 11.77685 5626.685       301.4581 5244.834       400.6976 6124.685       457.5986 420.7305 16.26978 454.4303 17.20092 -33.69986      23.67651 
1 1 1 -15 14 15 o 535.7543 10.09381 8448.001       317.1547 7863.368       430.9810 9138.562       468.4009 515.7461 14.26227 555.9879 14.37694 -40.24176      20.25114 
1 1 1 -15 14 16 o 343.5574 14.33455 3494.510       288.1898 4062.700       461.1855 3130.498       369.1366 368.3725 21.43971 323.7975 19.52929 44.57504       29.00094 
1 1 1 -15 14 17 f 136.9586 11.72597 557.1343       93.28111 540.8707       127.0768 576.1369       137.3615 134.0861 16.50771 138.2821 17.31606 -4.195938      23.92385 
1 1 1 -15 14 18 o 210.9274 8.991174 1311.618       110.9692 1234.685       157.6054 1387.253       156.2714 203.9901 13.24543 216.4320 12.36283 -12.44188      18.11853 
1 1 1 -15 14 19 o 252.4231 8.219881 1876.378       121.5250 1952.795       177.9826 1809.638       166.3329 256.9397 11.84310 247.3851 11.49591 9.554596       16.50500 
1 1 1 -15 14 20 o 236.0923 8.235085 1641.948       113.8505 1656.114       162.9450 1628.436       159.1402 236.5509 11.78244 234.5939 11.60279 1.957001       16.53634 
1 1 1 -15 14 21 o 114.4317 11.85090 390.7981       78.38330 603.4175       376.8304 381.1826       80.13609 136.4647 42.52013 112.9236 12.29870 23.54114       44.26307 
1 1 1 -15 14 22 o 236.6402 7.655572 1648.817       106.1072 1942.366       419.6888 1628.772       109.6701 250.4404 29.11629 235.1565 7.963573 15.28397       30.18570 
1 1 1 -15 14 23 o 200.0932 8.696627 1180.867       101.8112 1337.252       407.8963 1170.477       105.1389 204.6619 35.25523 199.1651 9.024635 5.496826       36.39197 
1 1 1 -15 14 24 o 318.1502 7.797604 2977.480       145.4936 3340.119       476.6947 2940.228       152.7838 331.4770 24.69841 315.9880 8.251409 15.48898       26.04030 
1 1 1 -15 14 25 o 217.5901 9.202805 1396.919       117.1731 1841.908       450.6316 1364.652       121.3471 242.2543 32.53968 214.9921 9.648601 27.26224       33.94004 
1 1 1 -15 14 26 o 40.16967 18.12128 -45.31631      90.43263 -557.4203      407.5067 -18.79033      92.74519 69.67287 33.57001 43.56338 19.06705 26.10950       38.60697 
1 1 1 -15 14 27 o 306.9631 10.06276 2782.360       180.9116 0.000000       0.000000 2782.360       180.9116 ?        ?        306.9631 10.06276 0.000000       10.06276 
1 1 1 -15 14 28 o 133.9802 12.61829 536.3043       97.98231 1089.644       429.8531 505.9780       100.6315 180.0134 41.55714 129.9480 13.39600 50.06548       43.66290 
1 1 1 -15 14 29 o 339.9096 7.970779 3403.465       158.8967 4710.841       533.6397 3276.275       166.4465 392.6456 23.27825 333.2826 8.522522 59.36304       24.78932 
1 1 1 -15 14 30 o 116.7273 13.88803 411.1023       93.21243 336.0044       400.8936 415.3942       95.83903 111.2816 43.09977 117.2631 14.22639 -5.981575      45.38701 
1 1 1 -15 14 31 f 183.7986 9.558762 1001.081       102.6832 1351.986       446.4498 981.4813       105.5119 199.1900 39.61169 181.9108 9.927542 17.27917       40.83678 
1 1 1 -15 14 32 o 43.98248 20.09022 -68.69869      115.4847 617.1669       489.2344 -109.1706      118.8432 133.5538 48.44538 41.68258 19.50148 91.87118       52.22320 
1 1 1 -15 14 33 o 131.0280 13.23544 517.6033       100.3147 805.5691       458.4366 503.1216       102.8061 146.9622 47.04396 129.0105 13.80183 17.95177       49.02678 
1 1 1 -15 14 34 o 320.8575 8.019403 3042.309       150.9054 3133.906       508.1607 3033.449       158.0345 311.4791 28.12026 320.1549 8.424007 -8.675812      29.35494 
1 1 1 -15 14 35 o 123.2575 13.57536 462.5719       96.50991 878.5849       423.2181 439.7520       99.12155 148.8540 44.81641 119.8741 14.38620 28.97984       47.06882 
1 1 1 -15 14 36 o 63.83422 20.97004 126.2278       90.75045 261.7667       453.0110 120.5610       92.62811 99.86632 42.92660 62.90633 21.20023 36.95999       47.87633 
1 1 1 -15 14 37 o 73.05176 22.24254 174.8541       103.8379 -39.80984      449.1506 186.9752       106.7293 83.96397 38.81305 75.29159 22.46852 8.672379       44.84737 
1 1 1 -15 14 38 o 195.0131 9.487882 1139.340       108.1878 654.2310       451.9213 1168.831       111.4279 119.7899 45.92643 197.4541 9.651503 -77.66417      46.92962 
1 1 1 -15 14 39 o 100.7825 16.36439 323.2367       93.40948 -467.2087      351.0895 383.4514       96.90207 59.61097 29.25757 110.4120 15.38165 -50.80099      33.05451 
1 1 1 -15 14 40 o 101.5594 16.93273 332.2346       97.30602 996.4135       346.9432 275.5286       101.3748 153.8804 38.53307 90.97173 19.58117 62.90865       43.22290 
1 1 1 -15 14 41 o 88.68486 18.29258 259.9283       91.98276 156.8310       360.9790 267.0872       95.12277 81.94773 36.64674 89.72198 18.68518 -7.774254      41.13538 
1 1 1 -15 14 42 o 64.81166 21.79504 140.3963       97.90064 228.2978       375.5542 133.9874       101.4068 84.62411 37.64128 63.81180 22.16319 20.81232       43.68150 
1 1 1 -15 14 43 o 95.43326 19.35348 308.3077       104.6098 439.6351       360.1542 296.2072       109.3230 95.42217 39.47717 92.66224 20.64544 2.759933       44.54976 
1 1 1 -15 14 44 o 81.74156 22.90889 241.1349       114.2070 -132.7314      374.4819 279.4735       119.9198 67.48086 32.42855 88.01851 22.98558 -20.53765      39.74856 
1 1 1 -15 14 45 o 140.7108 19.70561 673.5690       158.1657 714.4374       371.4401 664.5175       174.8056 111.3894 41.88363 136.9866 22.54178 -25.59722      47.56438 
1 1 1 -15 14 46 o 48.87129 21.75224 2.603222       125.6219 -226.6682      174.3507 250.1249       181.1571 43.07305 21.02971 79.03801 29.34390 -35.96496      36.10143 
1 1 1 -15 15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 3  o 294.2910 12.33907 2552.559       212.4933 2579.270       233.6512 2424.788       511.0215 295.6817 13.50958 282.9212 31.32203 12.76044       34.11127 
1 1 1 -15 15 4  o 351.3147 10.01279 3630.232       206.0909 3617.774       297.8593 3641.675       285.4496 350.1225 14.53739 351.3781 13.87904 -1.255585      20.09884 
1 1 1 -15 15 5  o 202.7649 10.16265 1211.467       120.4657 1229.206       156.6030 1185.757       188.5350 203.9164 13.16512 199.8422 16.22570 4.074158       20.89482 
1 1 1 -15 15 6  o 417.8596 10.26571 5132.875       251.5763 5218.689       393.4167 5073.508       327.2238 420.2966 15.98966 414.8494 13.46728 5.447174       20.90542 
1 1 1 -15 15 7  f 99.19293 15.85443 297.4147       89.12797 299.8528       107.6994 292.1162       158.7675 99.02021 19.23895 97.44704 26.89965 1.573166       33.07157 
1 1 1 -15 15 8  o 363.1671 9.814427 3879.926       208.8448 4003.021       318.0880 3786.657       276.8829 368.1517 14.76221 358.3078 13.19873 9.843933       19.80226 
1 1 1 -15 15 9  o 205.7432 9.717003 1247.215       116.9175 1305.118       155.8666 1172.717       176.7967 210.1286 12.70726 198.7760 15.28284 11.35260       19.87561 
1 1 1 -15 15 10 o 267.8574 9.868822 2112.626       154.7663 2144.268       205.3846 2071.052       235.4226 269.4478 13.03567 264.4474 15.24414 5.000366       20.05772 
1 1 1 -15 15 11 o 378.2749 10.88301 4214.582       241.1879 4379.274       337.7894 4043.289       344.4917 384.8459 14.99479 369.5662 15.93152 15.27975       21.87824 
1 1 1 -15 15 12 o 124.2234 39.59847 471.4675       325.0736 0.000000       0.000000 471.4675       325.0736 ?        ?        124.2234 39.59847 0.000000       39.59847 
1 1 1 -15 15 13 o 177.8062 9.957815 933.1476       103.4244 910.6596       130.7980 970.6655       168.9445 175.2668 12.81333 180.4250 16.13619 -5.158188      20.60481 
1 1 1 -15 15 14 o 233.7365 8.891788 1609.015       121.6672 1568.963       165.9654 1655.546       178.8871 230.3417 12.33048 236.5304 12.94495 -6.188705      17.87771 
1 1 1 -15 15 15 o 642.4059 13.40741 12186.37       505.1322 14591.43       1029.318 11423.42       579.7430 696.3785 25.24487 620.8826 15.93436 75.49585       29.85309 
1 1 1 -15 15 16 o 647.0856 15.80209 12405.40       599.6902 11698.94       807.5235 13274.10       895.4565 624.9966 22.06525 665.2012 22.98763 -40.20453      31.86387 
1 1 1 -15 15 17 o 387.8566 9.426556 4428.556       214.4247 4135.823       335.9088 4629.871       278.5630 373.3042 15.37583 395.9143 12.01086 -22.61014      19.51094 
1 1 1 -15 15 18 o 165.3202 9.806127 807.8699       94.64951 896.5347       133.6977 718.7877       134.0121 173.6466 13.22780 155.0574 14.92072 18.58914       19.93997 
1 1 1 -15 15 19 o 159.6907 8.583642 752.6452       80.09454 928.9160       383.9248 744.6244       81.89653 168.5750 39.52369 158.8055 8.827995 9.769547       40.49760 
1 1 1 -15 15 20 o 197.2615 8.125756 1146.826       93.80498 1237.196       388.3031 1141.226       96.66812 196.9412 34.89619 196.7448 8.397103 0.1964417      35.89228 
1 1 1 -15 15 21 o 188.6454 8.375417 1049.391       92.43130 975.9047       401.0253 1053.514       94.98885 172.1951 40.40916 188.9888 8.592583 -16.79372      41.31263 
1 1 1 -15 15 22 o 148.6658 10.61117 655.1492       91.90946 727.5551       399.5454 651.1036       94.44218 148.3471 43.26653 148.1526 10.94673 0.1944885      44.62984 
1 1 1 -15 15 23 o 31.01973 14.99434 -132.1505      82.90826 -952.6334      424.2026 -99.56433      84.53861 61.78090 30.65845 33.79057 16.00427 27.99033       34.58435 
1 1 1 -15 15 24 o 158.1758 13.67490 746.1110       125.6123 0.000000       0.000000 746.1110       125.6123 ?        ?        158.1758 13.67490 0.000000       13.67490 
1 1 1 -15 15 25 f 163.7994 12.92811 798.5797       123.1870 689.2227       511.0245 805.3265       126.9301 145.8299 49.78867 164.4283 13.27524 -18.59843      51.52809 
1 1 1 -15 15 26 o 300.4613 9.617006 2663.864       169.2463 1943.293       480.2938 2766.024       180.8464 247.6027 33.96963 306.0791 10.08833 -58.47646      35.43600 
1 1 1 -15 15 27 o 210.8640 8.969921 1312.708       110.6747 1263.650       398.7472 1316.803       115.2010 197.4948 35.74184 211.1355 9.326471 -13.64075      36.93863 
1 1 1 -15 15 28 f 211.7268 11.60035 1330.478       143.4944 2208.627       417.5075 1212.852       152.8028 266.6880 27.06836 201.8125 12.97900 64.87552       30.01917 
1 1 1 -15 15 29 o 290.7645 11.46170 2508.045       195.0694 0.000000       0.000000 2508.045       195.0694 ?        ?        290.7645 11.46170 0.000000       11.46170 
1 1 1 -15 15 30 o 99.99053 17.06144 308.0786       96.46449 479.8939       460.0762 300.1780       98.65744 124.0686 46.62179 98.49477 17.73111 25.57386       49.87969 
1 1 1 -15 15 31 o 175.7156 10.52452 917.6076       107.9613 0.000000       0.000000 917.6076       107.9613 ?        ?        175.7156 10.52452 0.000000       10.52452 
1 1 1 -15 15 32 o 181.9412 10.30537 983.9539       109.5130 1280.567       458.5419 966.0119       112.7766 190.1888 42.21184 180.1696 10.72150 10.01926       43.55215 
1 1 1 -15 15 33 o 178.6588 10.37988 950.4587       108.2912 1408.288       458.3211 923.3881       111.4467 199.1515 40.61859 175.9629 10.85210 23.18858       42.04329 
1 1 1 -15 15 34 o 121.6771 13.54682 449.8351       95.03380 550.2466       448.6638 445.1184       97.24020 122.5279 46.04053 120.8979 13.97115 1.629990       48.11366 
1 1 1 -15 15 35 o 59.91736 20.83935 104.6398       89.66963 -217.5105      420.2301 120.0076       91.78352 77.18392 36.28867 62.92623 21.10261 14.25769       41.97842 
1 1 1 -15 15 36 o 94.08133 17.53594 281.7193       93.19835 488.1604       427.6655 271.4265       95.49345 111.8890 44.16756 91.99155 18.34384 19.89746       47.82542 
1 1 1 -15 15 37 o 41.02198 18.80653 -56.49125      102.4302 -155.9674      440.2150 -50.79723      105.3210 78.40121 36.94776 42.17580 19.23465 36.22541       41.65464 
1 1 1 -15 15 38 o 105.0698 15.07299 345.9061       90.22495 -379.8468      429.3464 379.4367       92.28566 69.68368 33.78817 110.3223 14.62309 -40.63860      36.81677 
1 1 1 -15 15 39 o 191.1610 9.718833 1099.573       108.6017 925.8046       430.5015 1111.383       112.2315 138.0217 45.68827 192.0449 9.999075 -54.02319      46.76965 
1 1 1 -15 15 40 o 112.7987 15.31424 402.9017       98.69532 1151.792       364.8665 343.7805       102.5171 165.7583 38.30178 102.8572 17.62863 62.90117       42.16391 
1 1 1 -15 15 41 o 90.56999 19.54965 275.7007       100.7946 0.000000       0.000000 275.7007       100.7946 ?        ?        90.56999 19.54965 0.000000       19.54965 
1 1 1 -15 15 42 o 87.26379 21.04312 263.6250       106.4343 673.8563       373.9959 227.4725       111.0251 113.4945 42.15733 80.17723 22.62898 33.31724       47.84675 
1 1 1 -15 15 43 o 115.2273 17.26893 436.1108       113.1096 7.191732       413.7223 470.7602       117.5896 74.74924 35.40395 119.8088 17.23006 -45.05960      39.37403 
1 1 1 -15 15 44 o 157.5853 13.38564 780.3187       122.5406 527.8315       381.9345 809.2921       129.3806 98.43591 40.68195 160.0724 13.91995 -61.63652      42.99752 
1 1 1 -15 15 45 o 39.13353 18.71260 -120.3278      121.2965 -109.7596      405.6712 -121.3654      127.1116 68.76971 33.22380 40.19283 19.20188 28.57687       38.37360 
1 1 1 -15 15 46 o 140.0063 15.49282 635.7443       125.0862 688.1637       163.7948 562.3969       193.7520 141.0775 20.38721 119.1382 28.17499 21.93929       34.77741 
1 1 1 -15 16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 16 3  o 369.7913 12.38051 4029.572       268.1223 3752.837       307.0956 4916.996       549.9292 356.4879 14.72020 406.1587 23.18291 -49.67084      27.46146 
1 1 1 -15 16 4  o 534.3038 15.15558 8426.583       474.4303 0.000000       0.000000 8426.583       474.4303 ?        ?        534.3038 15.15558 0.000000       15.15558 
1 1 1 -15 16 5  o 169.8356 10.78585 851.7555       106.8769 836.9009       129.2145 883.9299       190.1678 168.0461 13.21721 171.7628 19.20647 -3.716705      23.31487 
1 1 1 -15 16 6  o 200.2034 10.22195 1181.670       119.6233 1209.237       149.2914 1132.225       199.9396 202.2470 12.64975 194.9031 17.68388 7.343964       21.74249 
1 1 1 -15 16 7  o 231.1484 9.699510 1573.600       131.1973 1542.297       167.7619 1622.889       210.5145 228.4948 12.56731 233.9816 15.42694 -5.486832      19.89793 
1 1 1 -15 16 8  f 325.7372 10.20126 3123.822       194.6418 3214.796       266.2604 3019.409       285.2497 329.9127 13.79164 319.4495 15.26974 10.46323       20.57607 
1 1 1 -15 16 9  o 521.1125 11.34225 7994.314       346.6420 7809.511       556.0369 8111.797       443.3382 513.0696 18.50926 524.0993 14.43727 -11.02972      23.47397 
1 1 1 -15 16 10 o 184.9441 10.10813 1009.266       109.2213 1126.900       146.6897 862.9154       163.6177 195.0954 12.89268 170.0020 16.62282 25.09348       21.03662 
1 1 1 -15 16 11 o 297.1323 9.144714 2598.711       159.1671 2547.451       231.7974 2644.443       218.9445 293.5314 13.50107 299.2515 12.50274 -5.720062      18.40101 
1 1 1 -15 16 12 f 249.9147 27.40041 1901.145       395.0283 0.000000       0.000000 1901.145       395.0283 ?        ?        249.9147 27.40041 0.000000       27.40041 
1 1 1 -15 16 13 o 218.6812 9.282247 1409.371       118.7753 1403.315       161.9778 1416.416       174.6888 217.7287 12.74064 218.5872 13.69549 -0.8584900     18.70536 
1 1 1 -15 16 14 o 358.5215 10.46543 3788.810       219.8152 3469.638       288.3202 4231.844       339.6893 342.2764 14.39522 377.8149 15.36240 -35.53851      21.05293 
1 1 1 -15 16 15 o 458.0388 9.322989 6174.558       250.4425 6249.838       361.6082 6105.161       347.1899 459.7354 13.42596 454.4862 13.03902 5.249176       18.71557 
1 1 1 -15 16 16 o 338.5126 10.21479 3378.918       202.5619 3137.871       268.9263 3695.009       307.9556 325.3755 14.12648 352.9215 14.91211 -27.54599      20.54090 
1 1 1 -15 16 17 o 253.7269 10.70825 1901.373       158.9856 2887.768       427.6620 1743.190       171.2597 308.8530 23.79341 242.6851 12.07054 66.16794       26.68004 
1 1 1 -15 16 18 o 155.2656 9.463659 712.6370       85.76643 0.000000       0.000000 712.6370       85.76643 ?        ?        155.2656 9.463659 0.000000       9.463659 
1 1 1 -15 16 19 o 320.8327 7.470783 3027.016       140.5709 2792.459       490.1890 3048.033       146.7337 301.4497 28.04852 321.9070 7.772290 -20.45724      29.10546 
1 1 1 -15 16 20 o 337.0717 7.624880 3341.738       150.7321 3583.233       490.5925 3316.564       158.3936 343.4619 24.51642 335.7427 8.044155 7.719177       25.80239 
1 1 1 -15 16 21 o 143.1325 10.22589 607.0411       85.27451 892.2571       415.0468 594.4707       87.13342 163.8184 42.75307 141.5847 10.56971 22.23361       44.04025 
1 1 1 -15 16 22 o 102.8253 15.17099 320.2021       88.74320 -812.3908      434.6606 369.4667       90.65269 66.14959 32.48439 110.7804 14.28517 -44.63084      35.48664 
1 1 1 -15 16 23 o 47.52993 19.83304 15.28190       92.01689 -509.1032      494.1074 34.12151       93.65525 81.18285 38.52115 50.44846 20.41203 30.73439       43.59507 
1 1 1 -15 16 24 o 195.9536 11.16890 1137.009       127.8238 0.000000       0.000000 1137.009       127.8238 ?        ?        195.9536 11.16890 0.000000       11.16890 
1 1 1 -15 16 25 o 382.6768 9.585244 4318.917       214.9532 3965.427       551.0068 4382.369       233.4498 360.0129 26.27783 385.2995 10.34040 -25.28659      28.23913 
1 1 1 -15 16 26 o 74.41557 20.96071 171.3900       95.35722 339.4471       418.7905 162.2005       97.92963 114.5687 44.13710 72.72108 21.47790 41.84766       49.08548 
1 1 1 -15 16 27 o 376.1389 8.103452 4166.766       178.7594 4005.584       520.3417 4188.334       190.3442 361.6388 24.68164 377.0063 8.608760 -15.36746      26.13990 
1 1 1 -15 16 28 o 115.9594 17.69363 411.9944       116.5250 0.000000       0.000000 411.9944       116.5250 ?        ?        115.9594 17.69363 0.000000       17.69363 
1 1 1 -15 16 29 o 273.3326 10.32264 2212.875       165.1777 0.000000       0.000000 2212.875       165.1777 ?        ?        273.3326 10.32264 0.000000       10.32264 
1 1 1 -15 16 30 o 40.30781 18.26440 -48.64388      93.07692 368.1735       399.4200 -72.57803      95.71191 112.7819 43.19227 38.83780 17.94030 73.94411       46.76994 
1 1 1 -15 16 31 o 225.2546 8.889492 1501.303       117.2054 1700.045       443.3527 1486.370       121.5290 226.6819 34.43025 224.0425 9.269104 2.639389       35.65612 
1 1 1 -15 16 32 o 137.5509 12.78404 569.0983       101.9489 923.7858       478.5809 552.2379       104.3439 156.1289 47.79306 135.3364 13.31863 20.79247       49.61413 
1 1 1 -15 16 33 o 89.32343 18.75468 252.3073       95.11485 482.9854       492.8291 243.3826       96.93735 120.0515 47.40588 87.52357 19.39527 32.52790       51.22006 
1 1 1 -15 16 34 o 43.96406 18.87055 2.518785       87.30869 -171.2362      439.0714 9.672031       89.08775 81.18027 37.81619 45.26510 19.23448 35.91518       42.42675 
1 1 1 -15 16 35 o 106.5710 15.24618 352.5950       92.57880 -30.74036      408.1159 373.3909       95.05683 82.73090 37.78107 109.7479 15.17406 -27.01701      40.71439 
1 1 1 -15 16 36 o 184.5977 9.541725 1019.665       102.9502 1212.639       431.0383 1007.991       106.0186 171.9744 42.88501 183.3978 9.893457 -11.42339      44.01142 
1 1 1 -15 16 37 o 92.48227 17.91961 275.5237       93.68294 434.5123       420.8959 267.2366       96.09349 105.2005 43.00813 90.72108 18.68319 14.47943       46.89094 
1 1 1 -15 16 38 o 148.9192 11.39050 673.8282       98.72688 259.4265       403.5578 700.2087       101.8208 92.45232 40.12860 151.7585 11.52639 -59.30619      41.75119 
1 1 1 -15 16 39 o 142.5770 12.34242 624.2643       102.1895 257.4952       395.4539 650.5081       105.7824 89.93817 39.36806 145.4679 12.52097 -55.52972      41.31124 
1 1 1 -15 16 40 o 197.1339 9.658095 1172.444       111.3216 1036.672       387.3549 1184.668       116.2246 149.4763 42.29527 197.9355 10.04491 -48.45917      43.47172 
1 1 1 -15 16 41 o 48.18166 20.12966 34.94741       94.96199 -67.93259      365.7186 42.38533       98.33483 71.14345 33.57298 49.70841 20.60216 21.43504       39.39027 
1 1 1 -15 16 42 f 58.39759 22.18082 100.7230       104.7811 189.6954       375.9895 93.23127       109.1034 81.49301 36.83892 57.71762 22.44821 23.77539       43.13963 
1 1 1 -15 16 43 o 61.45242 22.72439 121.1415       108.4480 252.0453       424.0736 111.9817       112.1780 84.18169 38.46985 60.34074 22.94298 23.84096       44.79185 
1 1 1 -15 16 44 o 52.46021 22.12689 49.57175       116.4468 141.8630       394.1119 40.74403       121.8887 77.48640 36.00476 52.24096 22.35726 25.24545       42.38148 
1 1 1 -15 16 45 o 61.07706 24.24352 112.6396       129.5130 151.4408       394.5812 107.9546       137.1091 77.02995 35.87153 61.08883 24.70462 15.94113       43.55554 
1 1 1 -15 17 1  o 261.8008 12.71454 2023.520       194.6354 2023.520       194.6354 0.000000       0.000000 261.8008 12.71454 ?        ?        0.000000       12.71454 
1 1 1 -15 17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 17 3  o 348.3888 10.47707 3573.369       213.8260 3398.717       280.5208 3815.568       330.3422 339.2032 14.13211 359.1344 15.72208 -19.93124      21.14002 
1 1 1 -15 17 4  o 212.2891 9.370936 1327.416       116.3831 1322.007       152.0826 1335.060       180.7979 211.5147 12.31319 212.2307 14.61486 -0.7159576     19.11043 
1 1 1 -15 17 5  o 370.0794 9.914675 4030.625       214.9971 4020.790       317.3199 4038.971       292.3199 368.8360 14.69888 369.8975 13.49756 -1.061523      19.95598 
1 1 1 -15 17 6  o 144.7230 11.12218 620.0726       93.67776 706.5065       115.3963 453.0305       160.4216 154.3063 12.86844 121.3303 23.39258 32.97599       26.69849 
1 1 1 -15 17 7  o 557.7364 12.02008 9163.161       393.1758 9687.600       664.7709 8881.010       487.6025 570.9067 19.88474 548.1403 15.18246 22.76636       25.01820 
1 1 1 -15 17 8  o 200.6975 9.533731 1187.300       111.8953 1220.243       147.2585 1142.293       172.1226 203.1071 12.42187 196.0755 15.08386 7.031570       19.54036 
1 1 1 -15 17 9  o 555.7281 11.83799 9099.512       385.8255 9365.528       647.9950 8953.407       480.2296 561.0940 19.72248 550.2891 14.89385 10.80493       24.71443 
1 1 1 -15 17 10 o 168.6560 10.10788 840.1155       99.52103 900.6030       131.2679 758.3480       152.6215 174.2599 12.93657 159.2002 16.58948 15.05972       21.03724 
1 1 1 -15 17 11 o 96.72607 17.95172 286.2479       98.08733 332.7861       101.7285 -329.1555      369.9286 104.6379 17.17205 73.62774 34.43395 31.01012       38.47825 
1 1 1 -15 17 12 o 236.4770 9.027931 1647.404       124.9768 1699.462       174.7315 1592.877       178.8275 239.6952 12.47262 231.9135 13.20248 7.781647       18.16237 
1 1 1 -15 17 13 o 293.7700 9.033033 2541.479       155.4444 2702.428       236.3002 2418.699       206.3870 302.1856 13.36644 286.0495 12.33139 16.13605       18.18584 
1 1 1 -15 17 14 o 252.9925 8.907272 1885.573       131.9547 1936.372       187.9961 1836.243       185.2582 255.8030 12.56969 249.0570 12.72536 6.746002       17.88664 
1 1 1 -15 17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 17 16 o 477.9583 8.312206 6720.992       233.0005 8766.754       729.4595 6488.557       245.8810 539.4716 23.10945 469.5016 8.929710 69.96994       24.77471 
1 1 1 -15 17 17 o 60.16646 18.24204 108.6360       69.94517 657.2991       355.9000 86.59292       71.33639 141.9241 40.66875 55.49720 18.60404 86.42686       44.72201 
1 1 1 -15 17 18 o 164.0670 9.495586 795.5963       90.97752 0.000000       0.000000 795.5963       90.97752 ?        ?        164.0670 9.495586 0.000000       9.495586 
1 1 1 -15 17 19 o 59.98256 19.68525 103.5939       79.97897 782.9296       398.8145 75.12822       81.63743 153.6906 42.71333 54.72870 19.79842 98.96193       47.07872 
1 1 1 -15 17 20 o 194.0505 8.645741 1110.655       98.14669 235.7963       443.8208 1155.639       100.6383 110.1653 44.48480 197.9429 8.690258 -87.77759      45.32569 
1 1 1 -15 17 21 o 242.2732 8.367288 1729.456       118.7103 937.0543       452.1367 1788.124       123.0264 167.1855 45.08773 246.3303 8.528752 -79.14479      45.88728 
1 1 1 -15 17 22 o 375.9489 8.160808 4158.781       179.9337 3568.391       605.9022 4215.883       188.4345 339.4748 30.76672 378.4680 8.489473 -38.99323      31.91649 
1 1 1 -15 17 23 o 204.6153 9.335287 1235.879       111.7302 1696.979       517.6442 1213.348       114.4275 228.5269 40.08369 202.6910 9.653738 25.83591       41.22980 
1 1 1 -15 17 24 o 387.3989 8.224571 4417.290       186.8625 4239.111       569.4741 4438.790       197.8152 372.3825 26.24366 388.2570 8.687399 -15.87445      27.64418 
1 1 1 -15 17 25 o 379.5232 9.550168 4249.413       212.4001 3574.243       541.5604 4372.147       230.8998 340.6503 27.33668 384.7949 10.24071 -44.14453      29.19189 
1 1 1 -15 17 26 o 291.8864 8.147508 2510.999       139.3363 2958.603       524.2496 2476.976       144.5347 307.9785 29.38029 289.8337 8.512236 18.14478       30.58855 
1 1 1 -15 17 27 o 166.9604 12.78019 831.7194       124.1902 1475.263       491.6931 787.8671       128.3518 208.9873 41.57987 162.2846 13.61100 46.70270       43.75095 
1 1 1 -15 17 28 o 233.8048 8.970681 1615.560       122.7787 1681.213       456.6718 1610.445       127.4721 226.4197 35.56135 233.3590 9.332906 -6.939362      36.76565 
1 1 1 -15 17 29 o 123.2897 13.74207 458.2661       97.67696 1317.525       430.0444 411.5265       100.2984 197.3687 38.53542 116.4324 15.03917 80.93633       41.36611 
1 1 1 -15 17 30 o 230.7132 8.769175 1574.135       118.4378 1324.713       436.0442 1594.003       123.0644 196.7410 39.16809 232.1013 9.058140 -35.36029      40.20185 
1 1 1 -15 17 31 o 220.1070 9.182295 1435.356       118.2717 1454.405       488.8415 1434.172       121.8931 202.2930 42.55444 219.9440 9.471865 -17.65097      43.59583 
1 1 1 -15 17 32 o 222.9878 8.788861 1473.413       114.7130 1113.543       453.8420 1497.974       118.5629 172.8283 44.50716 224.7815 9.011952 -51.95317      45.41038 
1 1 1 -15 17 33 o 35.91254 16.79154 -79.07922      87.88353 -86.59621      445.9384 -78.77547      89.64155 85.79208 39.29734 36.40887 17.00229 49.38321       42.81775 
1 1 1 -15 17 34 o 50.60455 20.09260 49.55956       88.98502 109.2648       397.8248 46.41504       91.29825 89.44754 39.30951 50.56427 20.26021 38.88327       44.22345 
1 1 1 -15 17 35 o 149.3313 11.00921 672.1526       95.73994 1671.090       476.2109 630.0757       97.73551 207.6148 40.56540 144.3240 11.64566 63.29082       42.20395 
1 1 1 -15 17 36 o 192.0727 9.295668 1103.682       104.4011 1280.512       442.7633 1093.272       107.4304 174.9075 43.37662 191.0286 9.620069 -16.12106      44.43058 
1 1 1 -15 17 37 o 91.52113 17.56712 269.8002       90.86375 347.8686       392.0353 265.3683       93.40727 98.31839 40.97463 90.45580 18.23772 7.862595       44.85014 
1 1 1 -15 17 38 o 45.30662 19.20589 17.97061       88.46078 358.1523       388.7183 -0.6090361     90.84439 96.74113 40.59293 43.56631 18.97307 53.17482       44.80807 
1 1 1 -15 17 39 o 50.69592 20.33857 54.38083       92.12656 -45.19320      374.8612 60.78159       95.04146 74.17430 34.68082 52.06831 20.73531 22.10599       40.40684 
1 1 1 -15 17 40 o 238.6772 9.153904 1714.448       127.8975 2501.696       429.2815 1637.762       133.9821 261.8384 28.40965 232.8107 9.834962 29.02777       30.06384 
1 1 1 -15 17 41 o 87.66855 20.50956 264.0271       103.5654 1261.166       394.3222 190.1476       107.3336 165.2846 40.90285 73.60458 22.65266 91.68001       46.75667 
1 1 1 -15 17 42 o 63.84993 22.59099 136.2931       105.6774 148.9006       398.8841 135.3414       109.5936 79.63533 36.72818 63.85862 22.96039 15.77671       43.31442 
1 1 1 -15 17 43 o 117.3273 17.32229 453.7885       115.6141 160.1412       428.1234 476.8876       120.0753 80.09431 37.32084 120.1409 17.56036 -40.04662      41.24574 
1 1 1 -15 17 44 o 64.86168 24.36488 142.1846       125.6317 -548.9911      431.7458 206.1218       131.3140 60.02223 29.96944 74.30595 25.24096 -14.28372      39.18257 
1 1 1 -15 17 45 o 38.20986 18.51600 -160.8711      128.4344 -187.4637      369.0847 -157.2074      136.9965 63.94121 31.07864 39.98354 19.31436 23.95767       36.59134 
1 1 1 -15 18 1  o 680.1098 16.49969 13679.78       658.1203 12765.27       874.9470 14871.36       998.7346 654.0668 22.84422 705.2961 24.18081 -51.22931      33.26515 
1 1 1 -15 18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 18 3  o 601.8265 20.96257 10782.57       738.7589 10782.57       738.7589 0.000000       0.000000 601.8265 20.96257 ?        ?        0.000000       20.96257 
1 1 1 -15 18 4  o 280.7559 9.273564 2320.382       152.4859 2223.165       206.4412 2437.106       226.2069 274.3099 12.86816 287.1325 13.47055 -12.82257      18.62915 
1 1 1 -15 18 5  o 426.8529 10.34936 5361.917       259.0849 5540.174       408.5536 5242.011       335.0776 432.5017 16.13514 421.3000 13.57910 11.20172       21.08874 
1 1 1 -15 18 6  o 217.0066 9.335311 1387.559       118.5319 1464.414       157.9283 1288.419       179.3704 222.5854 12.14398 208.3262 14.77693 14.25919       19.12678 
1 1 1 -15 18 7  o 189.1446 9.562368 1055.108       105.7301 1015.304       136.1785 1115.519       167.7641 185.1358 12.61743 193.7332 14.87927 -8.597382      19.50877 
1 1 1 -15 18 8  o 76.90530 16.83825 181.9278       73.83589 215.8065       88.98963 107.0730       132.2775 83.65469 18.61787 67.51051 25.07258 16.14419       31.22914 
1 1 1 -15 18 9  o 176.5124 9.463906 919.3047       97.61250 846.5587       127.3723 1022.828       151.9458 168.8919 12.95823 185.5553 14.06736 -16.66339      19.12607 
1 1 1 -15 18 10 o 388.9613 9.696947 4452.664       221.2035 4558.830       348.8063 4381.243       286.0915 392.2467 15.19135 385.1259 12.68366 7.120850       19.79021 
1 1 1 -15 18 11 o 218.4810 13.40086 1415.103       170.8844 0.000000       0.000000 1415.103       170.8844 ?        ?        218.4810 13.40086 0.000000       13.40086 
1 1 1 -15 18 12 o 235.0683 28.03827 1695.061       378.9297 0.000000       0.000000 1695.061       378.9297 ?        ?        235.0683 28.03827 0.000000       28.03827 
1 1 1 -15 18 13 o 143.1170 11.40913 607.8606       94.97008 0.000000       0.000000 607.8606       94.97008 ?        ?        143.1170 11.40913 0.000000       11.40913 
1 1 1 -15 18 14 o 407.8472 9.832841 4899.775       235.1944 0.000000       0.000000 4899.775       235.1944 ?        ?        407.8472 9.832841 0.000000       9.832841 
1 1 1 -15 18 15 o 336.0704 14.92016 3354.044       293.3392 0.000000       0.000000 3354.044       293.3392 ?        ?        336.0704 14.92016 0.000000       14.92016 
1 1 1 -15 18 16 o 351.6514 9.024977 3643.236       185.9730 0.000000       0.000000 3643.236       185.9730 ?        ?        351.6514 9.024977 0.000000       9.024977 
1 1 1 -15 18 17 o 589.0240 10.55645 10231.98       364.6711 0.000000       0.000000 10231.98       364.6711 ?        ?        589.0240 10.55645 0.000000       10.55645 
1 1 1 -15 18 18 o 65.93039 19.47977 132.0745       80.54333 1440.420       431.4853 84.84076       81.98432 212.2887 35.93775 56.57860 19.90856 155.7101       41.08373 
1 1 1 -15 18 19 o 308.1917 7.703681 2793.790       139.2418 3306.678       476.8358 2745.978       145.5873 329.7375 24.84020 305.3821 8.136103 24.35541       26.13871 
1 1 1 -15 18 20 o 368.2609 7.961079 3989.762       171.9404 4214.950       542.9709 3964.664       181.2691 372.4223 25.00428 367.0298 8.421161 5.392548       26.38428 
1 1 1 -15 18 21 o 177.7800 9.987685 934.4434       103.7166 470.8022       538.4384 952.3094       105.6961 131.5002 50.20100 179.4628 10.08287 -47.96260      51.20356 
1 1 1 -15 18 22 o 242.7590 9.103102 1738.044       129.3735 2166.433       530.2614 1710.930       133.4049 261.3875 35.50758 240.7994 9.464829 20.58809       36.74740 
1 1 1 -15 18 23 o 44.45404 19.28310 -11.58363      93.06725 -45.51709      476.4591 -10.23757      94.89519 97.05331 42.82141 45.05904 19.50877 51.99428       47.05598 
1 1 1 -15 18 24 o 382.9279 8.270304 4317.250       185.7330 3800.842       616.8632 4368.732       194.7714 349.5030 30.39655 385.1368 8.623023 -35.63388      31.59599 
1 1 1 -15 18 25 o 159.7547 11.31784 758.2089       105.3530 -142.7436      526.6556 795.7648       107.5263 96.59780 43.63971 163.6911 11.26932 -67.09328      45.07129 
1 1 1 -15 18 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 18 27 o 113.6162 15.68116 392.6158       101.7053 381.6288       446.2249 393.2179       104.4547 117.1435 45.44351 113.5887 16.13309 3.554825       48.22229 
1 1 1 -15 18 28 o 281.2080 10.77205 2344.926       177.3261 3078.754       496.0364 2237.405       189.8732 313.3730 27.26092 274.3614 11.82801 39.01163       29.71632 
1 1 1 -15 18 29 o 126.6974 13.67705 483.9040       100.0187 1114.846       477.2980 454.9256       102.2898 175.7628 45.83593 122.5912 14.50815 53.17161       48.07721 
1 1 1 -15 18 30 o 317.7232 8.145972 2981.524       151.6646 4255.725       537.6756 2871.377       158.0840 369.0407 24.98990 311.6505 8.657458 57.39020       26.44705 
1 1 1 -15 18 31 o 79.64283 21.19310 202.1881       100.7205 0.000000       0.000000 202.1881       100.7205 ?        ?        79.64283 21.19310 0.000000       21.19310 
1 1 1 -15 18 32 o 35.71422 16.76729 -86.33756      89.15785 -598.3018      454.5635 -65.85394      90.92396 70.31828 34.24861 37.89146 17.49700 32.42682       38.45922 
1 1 1 -15 18 33 o 122.6438 13.26392 457.8790       93.88807 32.52362       390.6095 483.9605       96.72371 85.58607 38.20804 126.1201 13.27556 -40.53401      40.44867 
1 1 1 -15 18 34 o 107.6027 14.96235 359.0132       91.87113 142.1975       436.0042 369.0870       93.98117 92.30918 40.83496 109.0747 15.09571 -16.76555      43.53590 
1 1 1 -15 18 35 o 37.26542 17.23887 -62.00208      88.84293 143.4119       404.3965 -72.41914      91.06779 89.05227 39.36373 36.95101 17.21605 52.10126       42.96389 
1 1 1 -15 18 36 o 34.15739 16.50041 -143.0079      100.0014 -922.7261      407.3540 -93.00432      103.1582 55.89748 28.08104 38.22409 17.97394 17.67339       33.34078 
1 1 1 -15 18 37 o 129.5576 12.73460 515.6302       95.51160 580.7450       412.2231 511.9362       98.18340 112.8279 43.70294 128.8864 13.17426 -16.05850      45.64546 
1 1 1 -15 18 38 o 50.52737 20.26428 53.41861       91.42338 455.1583       401.6177 31.46317       93.88833 101.5865 41.82375 47.94805 20.02257 53.63845       46.36949 
1 1 1 -15 18 39 o 144.1478 12.27166 639.5377       102.7583 741.2813       393.5549 632.0938       106.4510 121.3859 43.52646 142.9906 12.83004 -21.60471      45.37800 
1 1 1 -15 18 40 f 116.6440 15.50130 434.3667       103.4200 531.5079       386.3598 426.8692       107.3369 103.2157 41.56659 115.1046 16.36056 -11.88885      44.67046 
1 1 1 -15 18 41 o 49.34656 20.75425 36.80593       101.9822 542.3216       401.2201 1.889938       105.4454 101.3813 41.77769 46.04665 20.23695 55.33469       46.42101 
1 1 1 -15 18 42 o 36.45441 17.35136 -101.4545      101.8125 -105.5152      405.0201 -101.1805      105.1902 70.30375 33.76949 37.22433 17.69475 33.07941       38.12457 
1 1 1 -15 18 43 o 116.3854 17.97652 451.9366       118.7540 436.3045       420.7206 453.2899       123.7876 91.23283 40.24668 115.8822 18.86233 -24.64935      44.44753 
1 1 1 -15 18 44 o 51.39539 22.23260 33.02710       123.0268 -460.6920      377.3483 91.74906       130.1376 57.79934 28.72217 58.61780 23.93350 -0.8184586     37.38683 
1 1 1 -15 18 45 o 46.90769 21.31464 -22.03258      127.8512 -47.58684      366.8476 -18.49960      136.4032 67.65282 32.40158 48.51979 22.03489 19.13303       39.18417 
1 1 1 -15 19 1  o 434.5919 17.44692 5606.499       443.7796 0.000000       0.000000 5606.499       443.7796 ?        ?        434.5919 17.44692 0.000000       17.44692 
1 1 1 -15 19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 19 3  f 317.0611 13.55535 2972.546       251.4785 2972.546       251.4785 0.000000       0.000000 317.0611 13.55535 ?        ?        0.000000       13.55535 
1 1 1 -15 19 4  o 226.3479 9.107270 1509.288       120.6501 1370.930       154.0934 1728.480       193.9516 215.2929 12.25466 241.5765 13.74625 -26.28358      18.41565 
1 1 1 -15 19 5  o 443.7470 10.60983 5798.161       276.1178 6073.534       440.9744 5620.566       354.1336 452.5018 16.64498 436.0456 13.86555 16.45621       21.66354 
1 1 1 -15 19 6  o 310.0146 9.393126 2830.208       170.5853 2867.694       244.7744 2794.810       237.8622 311.3807 13.43528 307.4323 13.22336 3.948456       18.85111 
1 1 1 -15 19 7  o 207.5283 9.347061 1269.717       113.4715 1327.186       150.9362 1195.018       172.0806 211.7902 12.20337 200.5069 14.73658 11.28331       19.13345 
1 1 1 -15 19 8  o 209.6648 9.362396 1296.094       114.8329 1489.679       160.0099 1090.504       164.8967 224.4018 12.20415 191.4551 14.80054 32.94676       19.18325 
1 1 1 -15 19 9  o 133.2209 10.52633 526.0079       81.57533 505.5194       102.5255 561.3574       134.6695 130.1075 13.63875 136.4980 17.20393 -6.390503      21.95429 
1 1 1 -15 19 10 o 342.0425 12.48076 3457.841       249.9441 0.000000       0.000000 3457.841       249.9441 ?        ?        342.0425 12.48076 0.000000       12.48076 
1 1 1 -15 19 11 o 470.7591 9.249433 6523.208       255.3667 0.000000       0.000000 6523.208       255.3667 ?        ?        470.7591 9.249433 0.000000       9.249433 
1 1 1 -15 19 12 o 343.0123 8.034654 3460.477       161.6320 0.000000       0.000000 3460.477       161.6320 ?        ?        343.0123 8.034654 0.000000       8.034654 
1 1 1 -15 19 13 o 309.0365 22.92418 2885.370       412.5250 0.000000       0.000000 2885.370       412.5250 ?        ?        309.0365 22.92418 0.000000       22.92418 
1 1 1 -15 19 14 o 188.3020 10.58494 1048.714       116.4239 0.000000       0.000000 1048.714       116.4239 ?        ?        188.3020 10.58494 0.000000       10.58494 
1 1 1 -15 19 15 o 252.9912 11.87736 1894.323       175.7364 0.000000       0.000000 1894.323       175.7364 ?        ?        252.9912 11.87736 0.000000       11.87736 
1 1 1 -15 19 16 o 518.2036 13.88942 7957.878       421.7384 0.000000       0.000000 7957.878       421.7384 ?        ?        518.2036 13.88942 0.000000       13.88942 
1 1 1 -15 19 17 o 337.7578 8.082057 3356.576       160.0950 0.000000       0.000000 3356.576       160.0950 ?        ?        337.7578 8.082057 0.000000       8.082057 
1 1 1 -15 19 18 o 264.3039 8.465178 2058.118       131.0478 0.000000       0.000000 2058.118       131.0478 ?        ?        264.3039 8.465178 0.000000       8.465178 
1 1 1 -15 19 19 o 229.5641 8.989705 1554.112       120.7980 0.000000       0.000000 1554.112       120.7980 ?        ?        229.5641 8.989705 0.000000       8.989705 
1 1 1 -15 19 20 o 180.5156 10.41386 964.0000       109.7816 1171.339       484.6015 952.7837       112.7119 187.1438 44.75718 179.4053 10.76180 7.738480       46.03283 
1 1 1 -15 19 21 o 147.0096 12.18349 642.9584       104.1007 1291.212       540.7147 618.0057       106.0853 195.0198 47.68116 144.0206 12.68937 50.99927       49.34078 
1 1 1 -15 19 22 o 123.3936 13.80814 456.5923       98.21452 502.6906       480.0011 454.5780       100.3374 130.4976 47.88549 123.0475 14.16195 7.450127       49.93577 
1 1 1 -15 19 23 o 287.4528 8.205692 2434.577       138.1935 2281.065       559.7077 2444.543       142.6086 266.5902 36.77743 287.9993 8.452282 -21.40909      37.73619 
1 1 1 -15 19 24 o 290.6190 10.25765 2496.314       174.5584 0.000000       0.000000 2496.314       174.5584 ?        ?        290.6190 10.25765 0.000000       10.25765 
1 1 1 -15 19 25 o 201.7553 10.12308 1205.113       119.3984 0.000000       0.000000 1205.113       119.3984 ?        ?        201.7553 10.12308 0.000000       10.12308 
1 1 1 -15 19 26 o 189.9032 10.25255 1069.143       113.7631 1239.428       515.2787 1060.417       116.6414 186.8691 47.05320 189.0616 10.56157 -2.192566      48.22396 
1 1 1 -15 19 27 o 318.6098 9.664154 3002.609       180.3729 2583.793       525.8868 3058.448       192.0209 283.4902 32.20016 321.4041 10.19992 -37.91385      33.77704 
1 1 1 -15 19 28 o 245.2251 8.707030 1777.495       125.0247 1739.446       474.5078 1780.334       129.6044 228.4053 36.66328 245.3494 9.022447 -16.94409      37.75713 
1 1 1 -15 19 29 o 281.1080 8.854358 2336.999       145.7937 0.000000       0.000000 2336.999       145.7937 ?        ?        281.1080 8.854358 0.000000       8.854358 
1 1 1 -15 19 30 o 137.9443 13.08169 573.1164       104.5674 1166.960       495.8405 545.4764       106.9733 176.0123 47.10654 134.3559 13.77052 41.65637       49.07803 
1 1 1 -15 19 31 o 66.61614 21.27061 136.2958       93.76506 475.9549       496.3282 123.7248       95.48445 119.5951 47.46330 64.40089 21.52273 55.19417       52.11519 
1 1 1 -15 19 32 o 192.4228 9.151756 1101.620       102.9829 1504.785       443.9019 1078.686       105.8714 203.5797 38.59134 190.2936 9.516653 13.28606       39.74743 
1 1 1 -15 19 33 o 206.3197 9.048508 1268.216       109.2221 881.7197       462.7949 1291.013       112.3971 142.8903 47.37347 208.1022 9.232312 -65.21188      48.26470 
1 1 1 -15 19 34 o 121.8793 12.94687 454.1977       91.12917 395.7217       395.0270 457.4846       93.65533 104.3529 42.02824 122.1951 13.28201 -17.84216      44.07703 
1 1 1 -15 19 35 o 53.74054 20.45821 72.61095       89.26290 169.8208       428.3112 68.19709       91.26691 90.75414 40.29286 53.33103 20.58891 37.42311       45.24840 
1 1 1 -15 19 36 f 200.1505 9.518425 1201.798       111.4105 1197.781       452.5525 1202.057       114.9482 162.4616 45.62844 200.0233 9.828855 -37.56168      46.67506 
1 1 1 -15 19 37 o 89.49044 19.06005 264.4963       96.96793 382.9689       411.2590 257.5223       99.78119 98.04806 41.48032 87.90576 19.82825 10.14230       45.97583 
1 1 1 -15 19 38 o 81.99497 20.63674 228.2171       99.14885 276.7873       398.2600 225.0079       102.3720 90.15442 39.48395 81.14024 21.26084 9.014183       44.84423 
1 1 1 -15 19 39 o 75.50359 24.15062 200.2764       120.8347 178.7722       411.9636 202.3006       126.3940 84.30984 38.29068 75.76382 24.73966 8.546021       45.58757 
1 1 1 -15 19 40 o 154.7702 12.45121 741.8032       112.0656 423.3467       432.1844 764.7586       116.0343 94.62460 41.29309 156.9855 12.71172 -62.36093      43.20540 
1 1 1 -15 19 41 o 94.13263 20.10971 304.3368       107.6467 490.6454       441.3328 292.5515       110.9992 96.00580 41.81449 91.58179 21.10035 4.424004       46.83670 
1 1 1 -15 19 42 o 92.46591 21.62080 302.0521       115.1400 963.2327       405.3240 244.0147       120.0871 129.9100 44.34182 81.64285 23.69377 48.26716       50.27516 
1 1 1 -15 19 43 o 150.9182 14.39207 726.4161       125.8435 688.4568       375.7272 731.2124       133.5575 108.3727 41.79150 150.6183 15.33315 -42.24564      44.51556 
1 1 1 -15 19 44 o 184.1761 13.41593 1070.603       143.9184 479.4551       375.7604 1172.229       155.7987 92.94337 39.49887 192.2467 13.91241 -99.30334      41.87739 
1 1 1 -15 20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 20 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 20 3  o 557.7729 14.00960 9199.105       457.9202 8415.976       600.8127 10284.58       707.3442 531.5033 19.30656 587.0029 20.57844 -55.49963      28.21729 
1 1 1 -15 20 4  f 236.1546 9.513337 1643.888       131.4892 1662.806       169.5324 1615.327       208.3077 237.1125 12.23259 233.1273 15.32058 3.985153       19.60501 
1 1 1 -15 20 5  o 423.6016 10.32527 5284.522       256.5131 5387.367       401.5977 5213.648       333.3808 426.1018 16.09938 419.8857 13.55590 6.216095       21.04644 
1 1 1 -15 20 6  o 64.59179 17.80411 127.7560       69.60892 179.1946       79.91825 -33.92865      141.6888 76.15658 18.15133 53.29029 23.43813 22.86628       29.64484 
1 1 1 -15 20 7  o 100.1167 23.03041 312.0845       132.4074 0.000000       0.000000 312.0845       132.4074 ?        ?        100.1167 23.03041 0.000000       23.03041 
1 1 1 -15 20 8  o 156.2438 8.580290 720.2962       78.32218 0.000000       0.000000 720.2962       78.32218 ?        ?        156.2438 8.580290 0.000000       8.580290 
1 1 1 -15 20 9  o 199.7027 7.895636 1174.572       92.29217 0.000000       0.000000 1174.572       92.29217 ?        ?        199.7027 7.895636 0.000000       7.895636 
1 1 1 -15 20 10 o 158.7678 37.50515 816.0239       343.6271 0.000000       0.000000 816.0239       343.6271 ?        ?        158.7678 37.50515 0.000000       37.50515 
1 1 1 -15 20 11 o 219.8112 7.709022 1422.594       99.22631 0.000000       0.000000 1422.594       99.22631 ?        ?        219.8112 7.709022 0.000000       7.709022 
1 1 1 -15 20 12 o 137.1877 9.846409 557.3103       78.69473 0.000000       0.000000 557.3103       78.69473 ?        ?        137.1877 9.846409 0.000000       9.846409 
1 1 1 -15 20 13 o 238.6059 9.585509 1679.839       133.8634 0.000000       0.000000 1679.839       133.8634 ?        ?        238.6059 9.585509 0.000000       9.585509 
1 1 1 -15 20 14 o 206.0400 10.29922 1254.668       124.0587 0.000000       0.000000 1254.668       124.0587 ?        ?        206.0400 10.29922 0.000000       10.29922 
1 1 1 -15 20 15 o 554.5532 14.58345 9122.726       473.8892 0.000000       0.000000 9122.726       473.8892 ?        ?        554.5532 14.58345 0.000000       14.58345 
1 1 1 -15 20 16 o 300.8840 14.35549 2688.760       252.5883 0.000000       0.000000 2688.760       252.5883 ?        ?        300.8840 14.35549 0.000000       14.35549 
1 1 1 -15 20 17 o 375.5900 8.601412 4152.376       189.4673 0.000000       0.000000 4152.376       189.4673 ?        ?        375.5900 8.601412 0.000000       8.601412 
1 1 1 -15 20 18 o 64.68344 23.50830 105.4350       115.2750 0.000000       0.000000 105.4350       115.2750 ?        ?        64.68344 23.50830 0.000000       23.50830 
1 1 1 -15 20 19 o 157.3864 11.82173 735.5975       108.3211 0.000000       0.000000 735.5975       108.3211 ?        ?        157.3864 11.82173 0.000000       11.82173 
1 1 1 -15 20 20 o 85.67641 20.90437 228.7718       104.0938 603.5846       560.0024 215.3579       105.9401 141.0698 51.72931 83.14458 21.55048 57.92525       56.03878 
1 1 1 -15 20 21 o 92.38041 18.73017 263.8873       98.00084 -413.1045      484.2711 292.7958       100.0714 83.00408 39.00331 97.54853 18.16006 -14.54445      43.02379 
1 1 1 -15 20 22 o 173.9321 10.52544 896.1464       106.8645 182.0270       527.7556 926.6782       109.1250 112.4601 47.25060 176.8735 10.56808 -64.41341      48.41801 
1 1 1 -15 20 23 o 131.8005 14.89653 522.8672       113.1313 -770.7473      526.3375 585.5262       115.8388 76.56244 37.19023 139.6882 14.34336 -63.12575      39.86032 
1 1 1 -15 20 24 o 290.6713 8.268053 2491.342       140.8038 1676.497       542.1724 2550.274       145.8067 222.5334 43.09969 294.0531 8.463561 -71.51973      43.92283 
1 1 1 -15 20 25 o 100.5504 17.24586 311.2071       98.04009 -942.7958      534.1414 354.9268       99.73449 72.69371 35.76001 107.7891 16.28412 -35.09537      39.29314 
1 1 1 -15 20 26 o 262.3722 8.507146 2032.822       130.7307 1739.296       576.0369 2048.761       134.2333 222.4694 45.68061 263.3572 8.702850 -40.88782      46.50223 
1 1 1 -15 20 27 o 182.0055 10.62223 984.2958       112.8909 0.000000       0.000000 984.2958       112.8909 ?        ?        182.0055 10.62223 0.000000       10.62223 
1 1 1 -15 20 28 o 437.4345 8.616036 5650.638       221.0401 7108.387       720.6852 5499.269       232.2329 476.8660 25.86590 431.3315 9.180409 45.53445       27.44676 
1 1 1 -15 20 29 o 239.5543 9.239832 1700.470       129.5697 2448.019       559.2339 1658.064       133.1940 269.2984 36.33485 236.4392 9.625505 32.85915       37.58818 
1 1 1 -15 20 30 o 56.54276 21.48133 74.92213       98.29064 938.8322       491.7495 38.97105       100.3149 154.7022 48.62762 51.71089 21.05073 102.9913       52.98848 
1 1 1 -15 20 31 o 182.3758 9.919327 991.7805       105.6969 1042.734       460.8395 988.9512       108.5917 161.7672 46.25305 182.0244 10.21320 -20.25716      47.36723 
1 1 1 -15 20 32 o 42.89030 18.48703 0.3471661      84.46735 -242.8703      447.1307 9.348058       86.01612 78.27822 36.99489 44.38274 18.88124 33.89548       41.53460 
1 1 1 -15 20 33 o 166.9907 9.909877 835.5740       96.61702 693.3493       410.2108 843.9272       99.41383 127.7202 44.56281 167.7375 10.15324 -40.01727      45.70483 
1 1 1 -15 20 34 o 152.7297 11.00432 704.5086       97.90743 858.1437       456.8548 697.1128       100.2363 136.2152 47.05600 151.7853 11.34217 -15.57010      48.40363 
1 1 1 -15 20 35 o 137.2065 12.38872 575.0518       98.61716 478.8233       433.2697 580.3095       101.2754 107.3107 43.72460 137.7065 12.68242 -30.39572      45.52674 
1 1 1 -15 20 36 o 98.83260 17.39157 314.8271       97.12725 262.2426       477.3633 317.0981       99.20237 94.06728 42.09896 99.02763 17.73227 -4.960342      45.68102 
1 1 1 -15 20 37 o 72.56047 21.27522 178.5020       96.38457 278.3234       460.0288 173.9188       98.57241 92.18816 41.28757 71.63631 21.64216 20.55186       46.61595 
1 1 1 -15 20 38 o 94.08852 18.42815 292.5561       98.04809 488.9090       439.3772 282.2659       100.5845 101.1248 42.83269 91.91362 19.27613 9.211159       46.97029 
1 1 1 -15 20 39 o 106.1975 17.33635 368.5989       104.2531 -353.8234      435.4428 412.5271       107.3760 67.00035 32.82224 112.8333 16.73251 -45.83294      36.84123 
1 1 1 -15 20 40 o 137.8152 14.03189 598.8428       111.8331 741.8724       413.0233 587.5270       116.1728 114.0968 43.86413 135.9682 14.80751 -21.87138      46.29605 
1 1 1 -15 20 41 o 48.62852 20.82968 27.24937       105.9729 -86.90034      371.4279 37.36494       110.5687 68.84158 32.87084 50.49725 21.44189 18.34433       39.24598 
1 1 1 -15 20 42 o 52.69128 21.97214 55.92983       112.8262 -321.6824      372.1306 94.15529       118.3992 61.11451 30.02090 58.05246 23.13521 3.062042       37.90108 
1 1 1 -15 20 43 o 54.02235 22.93174 54.14379       126.4025 -383.8962      353.0082 118.5677       135.3790 57.68364 28.50706 62.22038 24.75750 -4.536739      37.75694 
1 1 1 -15 20 44 f 53.11656 22.98704 41.96214       131.6313 -111.7074      352.8230 66.80972       141.8748 64.67943 31.18224 56.72577 24.19435 7.953663       39.46770 
1 1 1 -15 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 21 2  o 208.2633 9.584709 1279.574       116.7552 1144.368       139.2403 1599.773       214.2779 196.5587 12.13796 231.7964 15.85784 -35.23764      19.97001 
1 1 1 -15 21 3  o 310.2319 15.43015 2858.216       279.8608 0.000000       0.000000 2858.216       279.8608 ?        ?        310.2319 15.43015 0.000000       15.43015 
1 1 1 -15 21 4  o 122.7076 10.47236 446.8392       74.64484 0.000000       0.000000 446.8392       74.64484 ?        ?        122.7076 10.47236 0.000000       10.47236 
1 1 1 -15 21 5  o 135.7425 9.912877 545.5464       78.37218 0.000000       0.000000 545.5464       78.37218 ?        ?        135.7425 9.912877 0.000000       9.912877 
1 1 1 -15 21 6  o 118.2797 11.02141 416.0274       75.57365 0.000000       0.000000 416.0274       75.57365 ?        ?        118.2797 11.02141 0.000000       11.02141 
1 1 1 -15 21 7  o 140.1376 9.838315 581.2758       80.34480 0.000000       0.000000 581.2758       80.34480 ?        ?        140.1376 9.838315 0.000000       9.838315 
1 1 1 -15 21 8  o 139.7714 10.11125 578.6055       82.32423 0.000000       0.000000 578.6055       82.32423 ?        ?        139.7714 10.11125 0.000000       10.11125 
1 1 1 -15 21 9  o 328.0983 7.986829 3166.372       153.6841 0.000000       0.000000 3166.372       153.6841 ?        ?        328.0983 7.986829 0.000000       7.986829 
1 1 1 -15 21 10 o 179.1731 8.569191 946.9050       89.78474 0.000000       0.000000 946.9050       89.78474 ?        ?        179.1731 8.569191 0.000000       8.569191 
1 1 1 -15 21 11 o 306.1045 7.693486 2757.527       138.0064 0.000000       0.000000 2757.527       138.0064 ?        ?        306.1045 7.693486 0.000000       7.693486 
1 1 1 -15 21 12 o 86.89316 15.00690 230.1142       73.71221 0.000000       0.000000 230.1142       73.71221 ?        ?        86.89316 15.00690 0.000000       15.00690 
1 1 1 -15 21 13 o 344.7478 9.914171 3505.556       200.2429 0.000000       0.000000 3505.556       200.2429 ?        ?        344.7478 9.914171 0.000000       9.914171 
1 1 1 -15 21 14 f 202.0660 11.61068 1209.480       137.0153 0.000000       0.000000 1209.480       137.0153 ?        ?        202.0660 11.61068 0.000000       11.61068 
1 1 1 -15 21 15 o 541.8299 10.32577 8655.932       328.1226 0.000000       0.000000 8655.932       328.1226 ?        ?        541.8299 10.32577 0.000000       10.32577 
1 1 1 -15 21 16 o 113.9042 14.09378 389.9662       92.14280 0.000000       0.000000 389.9662       92.14280 ?        ?        113.9042 14.09378 0.000000       14.09378 
1 1 1 -15 21 17 o 155.9781 11.44132 721.9649       103.9341 0.000000       0.000000 721.9649       103.9341 ?        ?        155.9781 11.44132 0.000000       11.44132 
1 1 1 -15 21 18 o 255.1801 8.802264 1919.380       131.5349 0.000000       0.000000 1919.380       131.5349 ?        ?        255.1801 8.802264 0.000000       8.802264 
1 1 1 -15 21 19 o 266.7877 8.696974 2097.750       135.8951 0.000000       0.000000 2097.750       135.8951 ?        ?        266.7877 8.696974 0.000000       8.696974 
1 1 1 -15 21 20 o 76.49060 20.16179 181.7636       91.70823 0.000000       0.000000 181.7636       91.70823 ?        ?        76.49060 20.16179 0.000000       20.16179 
1 1 1 -15 21 21 o 303.3321 8.472693 2711.866       150.5791 0.000000       0.000000 2711.866       150.5791 ?        ?        303.3321 8.472693 0.000000       8.472693 
1 1 1 -15 21 22 o 172.0332 10.61239 877.3848       106.5508 660.3492       548.0772 885.9098       108.6233 142.5697 51.33535 172.8422 10.76925 -30.27246      52.45279 
1 1 1 -15 21 23 o 204.4698 9.776426 1236.963       116.8961 1601.238       555.6910 1220.097       119.5717 215.7067 45.36651 203.0121 10.07430 12.69461       46.47162 
1 1 1 -15 21 24 o 216.9792 9.363349 1392.449       118.8711 561.5131       552.9556 1432.711       121.7169 133.7190 50.91539 220.0816 9.452143 -86.36256      51.78532 
1 1 1 -15 21 25 o 124.7950 14.09317 469.7560       101.3446 998.1234       557.6394 451.7085       103.0609 164.2689 51.80321 122.2018 14.67337 42.06710       53.84125 
1 1 1 -15 21 26 o 268.0075 10.40960 2129.491       163.3070 2497.516       565.7288 2096.037       170.5681 275.1005 35.92162 265.7312 10.96830 9.369263       37.55884 
1 1 1 -15 21 27 o 180.8420 13.23485 979.7523       139.3963 1243.790       507.2079 958.1796       144.9790 184.5155 46.80621 178.6203 13.95018 5.895233       48.84085 
1 1 1 -15 21 28 o 360.0361 8.432998 3829.449       178.0650 4365.700       612.0224 3779.858       186.1164 369.6761 28.44763 357.5549 8.875473 12.12119       29.80003 
1 1 1 -15 21 29 o 374.1159 8.381709 4138.179       183.9032 5540.193       649.1411 4015.834       191.7594 416.8919 26.69023 368.3605 8.876324 48.53140       28.12752 
1 1 1 -15 21 30 o 163.5686 11.26360 801.8677       107.3910 265.7179       531.6907 824.6708       109.6509 107.3083 46.31852 165.8639 11.34046 -58.55564      47.68659 
1 1 1 -15 21 31 f 71.35830 20.66916 163.7612       91.46508 1526.505       472.6292 110.7386       93.22749 200.1987 41.61348 61.34224 21.25355 138.8564       46.72681 
1 1 1 -15 21 32 o 111.9845 14.01300 386.1967       90.02303 207.5079       405.0657 395.4810       92.33215 93.75817 40.44890 113.2653 14.21175 -19.50710      42.87292 
1 1 1 -15 21 33 o 77.69246 18.96561 196.7691       85.64919 -269.6057      445.6110 214.6594       87.27650 75.29001 35.96474 81.27525 18.69920 -5.985237      40.53545 
1 1 1 -15 21 34 o 143.7042 11.69749 627.3393       97.73344 -53.26949      448.9303 661.2014       100.1352 81.99424 38.20975 147.5679 11.66511 -65.57362      39.95072 
1 1 1 -15 21 35 o 73.14194 20.98986 178.7157       94.73684 508.7914       501.1484 166.4830       96.47636 107.1987 45.58843 70.74427 21.41899 36.45441       50.36942 
1 1 1 -15 21 36 o 58.05296 21.41681 97.92659       96.22829 1016.035       453.1150 54.56300       98.47457 140.8966 46.88047 51.82201 20.94398 89.07462       51.34616 
1 1 1 -15 21 37 o 76.41039 21.01205 199.3049       97.08250 211.0846       504.6321 198.8522       98.93053 89.65645 41.33590 76.22702 21.30670 13.42943       46.50410 
1 1 1 -15 21 38 o 53.47164 21.17683 69.42397       98.61032 407.2832       496.5156 55.55029       100.6146 95.55804 42.83785 51.83432 21.08917 43.72373       47.74762 
1 1 1 -15 21 39 o 71.95409 22.48074 181.4287       105.2602 -23.49672      463.3903 192.5777       108.0856 77.03252 36.76353 73.88513 22.73060 3.147392       43.22311 
1 1 1 -15 21 40 o 59.77831 22.56891 109.8990       108.0949 332.2925       429.0892 94.82898       111.6973 88.05569 39.62019 57.92630 22.66049 30.12939       45.64272 
1 1 1 -15 21 41 o 165.5009 12.78360 855.8114       123.1195 775.8792       406.2621 863.8949       129.1952 113.9132 43.57681 165.7863 13.40176 -51.87309      45.59106 
1 1 1 -15 21 42 o 70.04924 23.94430 177.8159       118.1982 154.6676       334.9892 181.1076       126.3229 75.47431 34.37557 70.51945 24.72042 4.954865       42.34122 
1 1 1 -15 21 43 o 62.99117 24.58608 128.2697       131.2432 -1.083112      334.4225 151.8189       142.6906 67.99259 32.09162 66.51394 25.72628 1.478653       41.13045 
1 1 1 -15 22 1  o 252.8844 9.486451 1885.747       140.4448 0.000000       0.000000 1885.747       140.4448 ?        ?        252.8844 9.486451 0.000000       9.486451 
1 1 1 -15 22 2  o 421.8033 9.544713 5239.478       236.1149 0.000000       0.000000 5239.478       236.1149 ?        ?        421.8033 9.544713 0.000000       9.544713 
1 1 1 -15 22 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 22 4  o 376.0556 16.39399 4207.402       360.6971 0.000000       0.000000 4207.402       360.6971 ?        ?        376.0556 16.39399 0.000000       16.39399 
1 1 1 -15 22 5  o 278.4424 8.304979 2282.987       135.4687 0.000000       0.000000 2282.987       135.4687 ?        ?        278.4424 8.304979 0.000000       8.304979 
1 1 1 -15 22 6  o 171.3960 9.260108 867.4911       92.73666 0.000000       0.000000 867.4911       92.73666 ?        ?        171.3960 9.260108 0.000000       9.260108 
1 1 1 -15 22 7  o 233.7657 8.011872 1609.352       109.6789 0.000000       0.000000 1609.352       109.6789 ?        ?        233.7657 8.011872 0.000000       8.011872 
1 1 1 -15 22 8  o 257.6687 7.919554 1954.814       119.5355 0.000000       0.000000 1954.814       119.5355 ?        ?        257.6687 7.919554 0.000000       7.919554 
1 1 1 -15 22 9  o 265.7664 26.57494 2163.573       408.6630 0.000000       0.000000 2163.573       408.6630 ?        ?        265.7664 26.57494 0.000000       26.57494 
1 1 1 -15 22 10 o 73.07934 17.53802 165.3085       74.20744 0.000000       0.000000 165.3085       74.20744 ?        ?        73.07934 17.53802 0.000000       17.53802 
1 1 1 -15 22 11 o 106.5194 15.73770 343.8755       95.35878 0.000000       0.000000 343.8755       95.35878 ?        ?        106.5194 15.73770 0.000000       15.73770 
1 1 1 -15 22 12 o 129.7757 11.03214 500.4435       83.17090 0.000000       0.000000 500.4435       83.17090 ?        ?        129.7757 11.03214 0.000000       11.03214 
1 1 1 -15 22 13 o 360.1908 22.54589 3917.017       473.8784 0.000000       0.000000 3917.017       473.8784 ?        ?        360.1908 22.54589 0.000000       22.54589 
1 1 1 -15 22 14 o 499.4022 9.792568 7349.114       286.8122 0.000000       0.000000 7349.114       286.8122 ?        ?        499.4022 9.792568 0.000000       9.792568 
1 1 1 -15 22 15 o 298.5795 11.62201 2636.054       203.1242 0.000000       0.000000 2636.054       203.1242 ?        ?        298.5795 11.62201 0.000000       11.62201 
1 1 1 -15 22 16 o 353.4695 8.438460 3677.056       174.9305 0.000000       0.000000 3677.056       174.9305 ?        ?        353.4695 8.438460 0.000000       8.438460 
1 1 1 -15 22 17 o 341.2941 9.311641 3433.726       186.2085 0.000000       0.000000 3433.726       186.2085 ?        ?        341.2941 9.311641 0.000000       9.311641 
1 1 1 -15 22 18 o 321.8885 8.467545 3052.214       159.7115 0.000000       0.000000 3052.214       159.7115 ?        ?        321.8885 8.467545 0.000000       8.467545 
1 1 1 -15 22 19 o 340.1298 8.752888 3409.523       174.4559 0.000000       0.000000 3409.523       174.4559 ?        ?        340.1298 8.752888 0.000000       8.752888 
1 1 1 -15 22 20 o 58.72495 21.21982 87.94659       93.74653 0.000000       0.000000 87.94659       93.74653 ?        ?        58.72495 21.21982 0.000000       21.21982 
1 1 1 -15 22 21 o 56.09811 21.46638 67.20988       98.60497 0.000000       0.000000 67.20988       98.60497 ?        ?        56.09811 21.46638 0.000000       21.46638 
1 1 1 -15 22 22 o 245.3780 9.416681 1779.399       135.2624 0.000000       0.000000 1779.399       135.2624 ?        ?        245.3780 9.416681 0.000000       9.416681 
1 1 1 -15 22 23 o 64.82546 22.22858 118.9199       101.8850 6.625386       572.2471 122.5961       103.5393 105.1268 46.62929 65.62965 22.41095 39.49716       51.73530 
1 1 1 -15 22 24 o 227.9883 9.376252 1537.900       125.1021 1245.809       556.0710 1553.471       128.3935 184.1433 50.14708 229.0975 9.577034 -44.95422      51.05339 
1 1 1 -15 22 25 o 322.5085 10.17887 3080.894       192.2857 2339.125       545.1489 3186.292       205.4931 266.1948 35.82814 327.8112 10.70300 -61.61649      37.39265 
1 1 1 -15 22 26 o 315.5075 8.896347 2943.096       164.4516 0.000000       0.000000 2943.096       164.4516 ?        ?        315.5075 8.896347 0.000000       8.896347 
1 1 1 -15 22 27 o 248.2765 11.43461 1835.932       166.0503 2215.271       574.1115 1801.301       173.4643 252.9157 40.03679 245.7006 12.07496 7.215134       41.81805 
1 1 1 -15 22 28 o 192.8799 10.72172 1108.822       120.8063 -67.36140      550.5702 1168.314       123.8238 96.37294 43.96173 198.0070 10.70263 -101.6341      45.24578 
1 1 1 -15 22 29 o 191.0730 10.38457 1089.339       115.9319 1283.454       535.3804 1079.789       118.7494 177.5806 49.53986 190.1330 10.69244 -12.55241      50.68063 
1 1 1 -15 22 30 o 45.83794 19.72639 2.520687       95.88062 121.3987       427.4609 -3.777119      98.38758 92.49786 40.69530 45.67427 19.81943 46.82360       45.26497 
1 1 1 -15 22 31 o 248.0798 8.356553 1829.472       121.4084 2473.791       484.6232 1786.326       125.4075 266.4773 31.62538 244.9770 8.742682 21.50035       32.81157 
1 1 1 -15 22 32 o 100.7755 16.53243 320.7297       94.32548 -229.5376      446.9253 346.3835       96.49918 76.84825 36.51383 104.9496 16.19887 -28.10134      39.94575 
1 1 1 -15 22 33 o 47.93036 19.81462 32.13258       90.64188 220.9016       444.2686 23.93355       92.58944 93.72441 41.35124 47.23354 19.81483 46.49088       45.85360 
1 1 1 -15 22 34 o 149.9917 11.86248 685.2933       103.5011 842.2449       494.9036 678.1147       105.8416 128.5566 48.34441 149.0325 12.21659 -20.47592      49.86408 
1 1 1 -15 22 35 o 61.97470 21.45794 121.0320       95.02212 280.5208       460.1731 113.9287       97.11512 93.28602 41.56964 60.88553 21.64523 32.40049       46.86738 
1 1 1 -15 22 36 o 174.4638 10.99417 925.8979       111.9191 247.6020       524.9261 958.2004       114.5531 91.96653 42.31324 177.4522 11.06217 -85.48565      43.73536 
1 1 1 -15 22 37 o 70.71724 22.02882 171.4522       101.1506 -351.9113      477.3410 196.0579       103.5011 70.48508 34.49487 75.23677 22.04302 -4.751694      40.93642 
1 1 1 -15 22 38 o 89.31465 21.37144 277.0599       110.4464 125.3427       471.2421 285.8782       113.6108 82.63058 38.71535 90.56483 21.67857 -7.934242      44.37160 
1 1 1 -15 22 39 o 52.67856 21.72194 57.07930       108.5576 -446.7926      481.0296 84.11880       111.4323 66.57861 32.97034 56.52414 22.47103 10.05447       39.89975 
1 1 1 -15 22 40 o 126.2451 16.54413 519.4319       119.5476 587.3324       473.2304 514.8033       123.5551 99.04880 43.21688 125.1104 17.30161 -26.06159      46.55153 
1 1 1 -15 22 41 o 130.9796 16.34201 560.5136       122.8101 662.1696       380.3536 548.6821       129.7602 106.2165 41.73711 128.4929 17.68796 -22.27637      45.33046 
1 1 1 -15 22 42 o 119.0790 18.50131 478.4514       125.0152 833.7378       354.1855 427.8890       133.6151 122.8102 41.45578 110.0779 21.46825 12.73234       46.68476 
1 1 1 -15 23 1  f 232.9152 9.367029 1600.195       127.6919 2199.005       353.7740 1510.497       136.9221 269.6205 22.58011 226.1335 10.35170 43.48705       24.83986 
1 1 1 -15 23 2  o 324.9421 10.36370 3115.706       197.2494 0.000000       0.000000 3115.706       197.2494 ?        ?        324.9421 10.36370 0.000000       10.36370 
1 1 1 -15 23 3  f 289.0498 8.302055 2460.351       140.5914 0.000000       0.000000 2460.351       140.5914 ?        ?        289.0498 8.302055 0.000000       8.302055 
1 1 1 -15 23 4  o 296.7489 15.66532 2620.683       271.6675 0.000000       0.000000 2620.683       271.6675 ?        ?        296.7489 15.66532 0.000000       15.66532 
1 1 1 -15 23 5  o 265.1299 8.564149 2070.955       132.9913 0.000000       0.000000 2070.955       132.9913 ?        ?        265.1299 8.564149 0.000000       8.564149 
1 1 1 -15 23 6  o 296.2399 13.56184 2602.381       234.9953 0.000000       0.000000 2602.381       234.9953 ?        ?        296.2399 13.56184 0.000000       13.56184 
1 1 1 -15 23 7  o 138.1010 11.25415 566.4849       90.36113 0.000000       0.000000 566.4849       90.36113 ?        ?        138.1010 11.25415 0.000000       11.25415 
1 1 1 -15 23 8  o 132.2297 11.76539 520.3005       90.28836 0.000000       0.000000 520.3005       90.28836 ?        ?        132.2297 11.76539 0.000000       11.76539 
1 1 1 -15 23 9  o 292.4974 12.55973 2533.390       214.9511 0.000000       0.000000 2533.390       214.9511 ?        ?        292.4974 12.55973 0.000000       12.55973 
1 1 1 -15 23 10 o 221.9504 8.812915 1452.495       114.4885 0.000000       0.000000 1452.495       114.4885 ?        ?        221.9504 8.812915 0.000000       8.812915 
1 1 1 -15 23 11 o 460.4157 9.178152 6242.697       247.8312 0.000000       0.000000 6242.697       247.8312 ?        ?        460.4157 9.178152 0.000000       9.178152 
1 1 1 -15 23 12 o 111.3058 13.41431 371.7402       85.80283 0.000000       0.000000 371.7402       85.80283 ?        ?        111.3058 13.41431 0.000000       13.41431 
1 1 1 -15 23 13 o 126.1246 16.34787 480.3056       118.0816 0.000000       0.000000 480.3056       118.0816 ?        ?        126.1246 16.34787 0.000000       16.34787 
1 1 1 -15 23 14 o 321.2330 13.17053 3057.585       247.6008 0.000000       0.000000 3057.585       247.6008 ?        ?        321.2330 13.17053 0.000000       13.17053 
1 1 1 -15 23 15 o 467.5912 14.26151 6485.021       390.6380 0.000000       0.000000 6485.021       390.6380 ?        ?        467.5912 14.26151 0.000000       14.26151 
1 1 1 -15 23 16 o 533.5442 14.59759 8448.645       456.3454 0.000000       0.000000 8448.645       456.3454 ?        ?        533.5442 14.59759 0.000000       14.59759 
1 1 1 -15 23 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 23 18 o 321.0594 9.585552 3041.832       180.2879 0.000000       0.000000 3041.832       180.2879 ?        ?        321.0594 9.585552 0.000000       9.585552 
1 1 1 -15 23 19 o 221.5183 9.720113 1450.224       125.9716 0.000000       0.000000 1450.224       125.9716 ?        ?        221.5183 9.720113 0.000000       9.720113 
1 1 1 -15 23 20 o 188.4085 10.43202 1051.693       114.8208 0.000000       0.000000 1051.693       114.8208 ?        ?        188.4085 10.43202 0.000000       10.43202 
1 1 1 -15 23 21 f 205.0914 10.10268 1245.659       121.1424 0.000000       0.000000 1245.659       121.1424 ?        ?        205.0914 10.10268 0.000000       10.10268 
1 1 1 -15 23 22 o 179.4410 11.55252 957.9658       120.9304 0.000000       0.000000 957.9658       120.9304 ?        ?        179.4410 11.55252 0.000000       11.55252 
1 1 1 -15 23 23 o 157.8596 12.11834 743.9415       111.3348 0.000000       0.000000 743.9415       111.3348 ?        ?        157.8596 12.11834 0.000000       12.11834 
1 1 1 -15 23 24 o 155.2584 12.18419 720.3890       110.0554 0.000000       0.000000 720.3890       110.0554 ?        ?        155.2584 12.18419 0.000000       12.18419 
1 1 1 -15 23 25 o 113.2125 16.04306 392.0347       103.5400 327.5035       527.1329 394.6243       105.5971 115.7664 47.81392 113.5098 16.33187 2.256561       50.52624 
1 1 1 -15 23 26 o 178.7378 11.48652 953.5178       119.7706 1423.536       535.3126 928.7491       122.8859 195.5998 47.20818 176.2623 11.95835 19.33749       48.69923 
1 1 1 -15 23 27 o 53.97502 21.58726 51.14238       103.4552 -686.3684      503.5206 83.64893       105.7106 73.47114 35.84199 59.01890 22.31048 14.45224       42.21855 
1 1 1 -15 23 28 o 330.3384 8.465253 3233.080       163.8670 3328.274       554.5723 3223.974       171.5260 316.9489 30.19904 329.7036 8.878742 -12.75464      31.47720 
1 1 1 -15 23 29 o 36.49721 17.15851 -90.53524      93.92847 -29.69840      474.9383 -93.01160      95.82108 88.97847 40.68076 36.79533 17.30861 52.18314       44.20986 
1 1 1 -15 23 30 o 146.8849 11.91409 652.6448       101.7530 2087.798       470.3533 582.1820       104.2210 241.9034 34.09849 138.2701 13.00487 103.6333       36.49430 
1 1 1 -15 23 31 o 80.25977 20.30193 211.5883       95.61443 0.000000       0.000000 211.5883       95.61443 ?        ?        80.25977 20.30193 0.000000       20.30193 
1 1 1 -15 23 32 o 94.47119 18.38299 288.2819       98.18468 829.4284       433.1118 258.9652       100.8092 134.6589 45.83911 88.80803 19.85446 45.85088       49.95422 
1 1 1 -15 23 33 o 47.24047 19.92459 22.28728       94.41486 142.6819       454.0403 16.84607       96.52482 89.28230 40.40931 46.99088 19.99646 42.29142       45.08626 
1 1 1 -15 23 34 o 115.9663 15.24917 423.4394       101.2012 417.1173       437.3441 423.7970       104.0245 100.4619 42.65030 115.7709 15.72726 -15.30899      45.45761 
1 1 1 -15 23 35 o 75.25182 21.32688 192.9912       98.40775 253.1860       488.6727 190.4469       100.4659 91.57133 41.63367 74.68587 21.67096 16.88546       46.93605 
1 1 1 -15 23 36 o 52.80994 21.37247 59.57695       102.7030 -704.7581      464.4644 98.87009       105.3098 62.38447 31.13891 58.71695 22.25184 3.667519       38.27239 
1 1 1 -15 23 37 o 151.9827 13.56882 721.5652       119.6740 791.7496       525.1299 717.7205       122.9082 112.3651 47.16690 151.2708 14.01328 -38.90572      49.20456 
1 1 1 -15 23 38 o 123.3875 16.07975 491.3925       113.5937 400.4765       506.8617 496.2003       116.5586 92.30688 42.13516 123.7273 16.47190 -31.42041      45.24042 
1 1 1 -15 23 39 o 88.60145 21.42118 276.3708       110.0722 -64.12892      457.4598 297.2959       113.4040 74.11949 35.67588 91.98297 21.42245 -17.86348      41.61357 
1 1 1 -15 23 40 o 58.58997 22.86521 101.2863       113.5016 -248.9682      431.0778 127.3765       117.6530 66.84733 32.72846 62.55128 23.56099 4.296047       40.32707 
1 1 1 -15 23 41 o 121.9136 18.59136 501.4905       128.7275 4.550703       383.2752 564.6741       136.6662 71.13029 33.80184 129.5257 18.51731 -58.39545      38.54160 
1 1 1 -15 23 42 o 174.9855 14.00037 974.9608       142.4809 1107.659       446.6244 959.9256       150.3362 128.9454 46.35232 172.6346 14.99725 -43.68924      48.71812 
1 1 1 -15 24 1  o 78.18848 19.38902 189.7000       88.47021 0.000000       0.000000 189.7000       88.47021 ?        ?        78.18848 19.38902 0.000000       19.38902 
1 1 1 -15 24 2  o 115.1514 42.08664 369.1036       370.2187 369.1036       370.2187 0.000000       0.000000 115.1514 42.08664 ?        ?        0.000000       42.08664 
1 1 1 -15 24 3  o 48.67597 19.61064 33.14479       86.03608 0.000000       0.000000 33.14479       86.03608 ?        ?        48.67597 19.61064 0.000000       19.61064 
1 1 1 -15 24 4  o 158.2178 10.85108 741.7806       100.0786 0.000000       0.000000 741.7806       100.0786 ?        ?        158.2178 10.85108 0.000000       10.85108 
1 1 1 -15 24 5  o 272.4935 8.609570 2187.605       137.4177 0.000000       0.000000 2187.605       137.4177 ?        ?        272.4935 8.609570 0.000000       8.609570 
1 1 1 -15 24 6  o 296.7332 8.361501 2593.071       145.3676 0.000000       0.000000 2593.071       145.3676 ?        ?        296.7332 8.361501 0.000000       8.361501 
1 1 1 -15 24 7  o 60.35701 20.56737 101.1906       87.19712 0.000000       0.000000 101.1906       87.19712 ?        ?        60.35701 20.56737 0.000000       20.56737 
1 1 1 -15 24 8  o 231.1626 33.18901 1680.859       437.0616 0.000000       0.000000 1680.859       437.0616 ?        ?        231.1626 33.18901 0.000000       33.18901 
1 1 1 -15 24 9  o 242.6199 8.935115 1735.367       126.9214 0.000000       0.000000 1735.367       126.9214 ?        ?        242.6199 8.935115 0.000000       8.935115 
1 1 1 -15 24 10 o 180.9393 10.01922 967.7833       105.9055 0.000000       0.000000 967.7833       105.9055 ?        ?        180.9393 10.01922 0.000000       10.01922 
1 1 1 -15 24 11 o 284.3936 8.486047 2382.402       141.3806 0.000000       0.000000 2382.402       141.3806 ?        ?        284.3936 8.486047 0.000000       8.486047 
1 1 1 -15 24 12 o 390.7296 8.836276 4494.636       202.4865 0.000000       0.000000 4494.636       202.4865 ?        ?        390.7296 8.836276 0.000000       8.836276 
1 1 1 -15 24 13 o 275.8155 11.16169 2248.814       180.1778 0.000000       0.000000 2248.814       180.1778 ?        ?        275.8155 11.16169 0.000000       11.16169 
1 1 1 -15 24 14 o 262.6801 8.861493 2034.102       136.3209 0.000000       0.000000 2034.102       136.3209 ?        ?        262.6801 8.861493 0.000000       8.861493 
1 1 1 -15 24 15 o 251.6570 8.916697 1867.592       131.3943 0.000000       0.000000 1867.592       131.3943 ?        ?        251.6570 8.916697 0.000000       8.916697 
1 1 1 -15 24 16 o 248.6880 9.616110 1826.003       139.9863 0.000000       0.000000 1826.003       139.9863 ?        ?        248.6880 9.616110 0.000000       9.616110 
1 1 1 -15 24 17 o 276.7005 8.872915 2258.302       143.8020 0.000000       0.000000 2258.302       143.8020 ?        ?        276.7005 8.872915 0.000000       8.872915 
1 1 1 -15 24 18 o 416.2259 9.359846 5109.138       228.4801 0.000000       0.000000 5109.138       228.4801 ?        ?        416.2259 9.359846 0.000000       9.359846 
1 1 1 -15 24 19 o 157.9761 12.30574 743.9340       113.1130 0.000000       0.000000 743.9340       113.1130 ?        ?        157.9761 12.30574 0.000000       12.30574 
1 1 1 -15 24 20 o 251.3489 9.443128 1867.732       138.9538 0.000000       0.000000 1867.732       138.9538 ?        ?        251.3489 9.443128 0.000000       9.443128 
1 1 1 -15 24 21 o 76.17818 21.43508 181.5433       99.77565 0.000000       0.000000 181.5433       99.77565 ?        ?        76.17818 21.43508 0.000000       21.43508 
1 1 1 -15 24 22 o 172.8976 11.74494 890.8592       118.3872 0.000000       0.000000 890.8592       118.3872 ?        ?        172.8976 11.74494 0.000000       11.74494 
1 1 1 -15 24 23 o 67.69566 22.92454 133.1838       108.3111 0.000000       0.000000 133.1838       108.3111 ?        ?        67.69566 22.92454 0.000000       22.92454 
1 1 1 -15 24 24 o 218.1594 10.27853 1412.890       131.1392 0.000000       0.000000 1412.890       131.1392 ?        ?        218.1594 10.27853 0.000000       10.27853 
1 1 1 -15 24 25 o 208.7737 10.49269 1296.235       128.0615 0.000000       0.000000 1296.235       128.0615 ?        ?        208.7737 10.49269 0.000000       10.49269 
1 1 1 -15 24 26 o 186.9313 13.53842 1051.964       147.4171 516.9553       529.9302 1096.839       153.4750 123.7741 49.06871 190.7971 13.80906 -67.02303      50.97478 
1 1 1 -15 24 27 f 181.0358 10.86920 979.9290       114.8704 1027.904       497.5163 977.2275       118.0603 158.8514 48.74873 180.6794 11.19654 -21.82796      50.01801 
1 1 1 -15 24 28 o 89.47360 19.68213 257.5360       100.4684 -268.1206      490.3563 280.5697       102.6460 81.54484 38.59923 93.59650 19.33957 -12.05166      43.17313 
1 1 1 -15 24 29 o 40.21257 18.23033 -42.38465      92.86949 -62.88293      436.3103 -41.41189      95.04755 83.27947 38.41021 40.83781 18.48541 42.44166       42.62693 
1 1 1 -15 24 30 o 67.64203 21.74010 146.3394       97.83163 -84.59068      454.1619 157.5765       100.1836 82.61240 38.47568 69.79745 21.95001 12.81495       44.29651 
1 1 1 -15 24 31 o 57.23865 21.29670 89.11639       95.51859 -143.0782      484.5181 98.50548       97.43066 81.56776 38.53782 58.99015 21.58571 22.57760       44.17133 
1 1 1 -15 24 32 o 59.05053 21.63984 99.83883       97.97565 1108.441       457.6326 51.38822       100.3013 154.1925 46.64209 52.12498 21.11173 102.0676       51.19756 
1 1 1 -15 24 33 o 143.4465 12.74599 632.2924       106.1141 245.7522       390.6750 663.0813       110.2593 90.20326 39.31358 146.8209 12.93710 -56.61768      41.38751 
1 1 1 -15 24 34 o 71.83926 21.74357 175.1107       99.43365 96.32976       433.7693 179.4800       102.1538 83.38322 38.40041 72.61616 22.05160 10.76707       44.28165 
1 1 1 -15 24 35 o 46.16216 20.05599 6.994993       101.0082 -478.2028      487.1057 28.79585       103.2525 68.62708 33.83462 49.06194 20.77154 19.56514       39.70187 
1 1 1 -15 24 36 o 86.71368 21.57429 261.1434       109.2706 -188.7448      504.9990 283.2415       111.9221 75.34021 36.55746 90.47660 21.42548 -15.13639      42.37333 
1 1 1 -15 24 37 o 129.0300 16.49318 538.4547       121.9592 166.3546       473.4442 564.9013       126.2188 83.50599 39.02145 132.0694 16.66602 -48.56345      42.43147 
1 1 1 -15 24 38 o 149.0616 13.74779 699.6747       118.8315 253.0702       475.2738 729.4553       122.7295 85.28684 39.59829 152.0972 13.91261 -66.81037      41.97124 
1 1 1 -15 24 39 o 67.60571 23.97218 160.1682       119.0494 -452.3609      487.6560 198.9868       122.7638 65.83709 32.70540 73.74304 24.39743 -7.905952      40.80291 
1 1 1 -15 24 40 o 82.15073 24.73977 254.5541       128.9562 640.9651       460.0668 221.6062       134.3416 99.57486 43.03356 76.54820 25.52803 23.02666       50.03566 
1 1 1 -15 24 41 o 72.66940 24.86300 197.0473       127.4487 392.4657       413.5260 176.5368       133.9701 87.26511 39.10921 69.59474 25.33560 17.67036       46.59853 
1 1 1 -15 25 1  f 328.1241 25.78034 3278.063       492.1277 3278.063       492.1277 0.000000       0.000000 328.1241 25.78034 ?        ?        0.000000       25.78034 
1 1 1 -15 25 2  o 313.1101 8.375478 2886.820       153.6622 3166.647       465.9458 2852.672       162.7681 322.9008 24.79426 311.1633 8.928525 11.73752       26.35288 
1 1 1 -15 25 3  o 241.3384 15.11420 1733.715       212.8513 2367.636       440.2470 1540.328       243.1601 277.8658 27.37030 226.5804 18.45844 51.28546       33.01284 
1 1 1 -15 25 4  o 134.1649 15.98173 541.7339       123.2824 0.000000       0.000000 541.7339       123.2824 ?        ?        134.1649 15.98173 0.000000       15.98173 
1 1 1 -15 25 5  o 113.2524 15.77216 387.7635       101.9201 0.000000       0.000000 387.7635       101.9201 ?        ?        113.2524 15.77216 0.000000       15.77216 
1 1 1 -15 25 6  o 336.6133 8.942370 3338.172       176.3801 0.000000       0.000000 3338.172       176.3801 ?        ?        336.6133 8.942370 0.000000       8.942370 
1 1 1 -15 25 7  o 342.3549 8.949676 3453.005       179.5402 0.000000       0.000000 3453.005       179.5402 ?        ?        342.3549 8.949676 0.000000       8.949676 
1 1 1 -15 25 8  o 288.2748 14.49848 2468.513       244.3337 0.000000       0.000000 2468.513       244.3337 ?        ?        288.2748 14.49848 0.000000       14.49848 
1 1 1 -15 25 9  o 296.2328 9.043050 2586.295       156.9241 0.000000       0.000000 2586.295       156.9241 ?        ?        296.2328 9.043050 0.000000       9.043050 
1 1 1 -15 25 10 o 192.8864 42.69666 1231.086       470.2222 0.000000       0.000000 1231.086       470.2222 ?        ?        192.8864 42.69666 0.000000       42.69666 
1 1 1 -15 25 11 o 242.9733 12.03988 1748.449       171.0315 0.000000       0.000000 1748.449       171.0315 ?        ?        242.9733 12.03988 0.000000       12.03988 
1 1 1 -15 25 12 o 148.0743 16.02439 659.0773       136.9445 0.000000       0.000000 659.0773       136.9445 ?        ?        148.0743 16.02439 0.000000       16.02439 
1 1 1 -15 25 13 o 121.8520 43.62810 440.7901       395.2359 0.000000       0.000000 440.7901       395.2359 ?        ?        121.8520 43.62810 0.000000       43.62810 
1 1 1 -15 25 14 o 214.8285 12.40690 1369.915       155.6518 0.000000       0.000000 1369.915       155.6518 ?        ?        214.8285 12.40690 0.000000       12.40690 
1 1 1 -15 25 15 o 134.9758 18.54696 554.9583       142.9401 0.000000       0.000000 554.9583       142.9401 ?        ?        134.9758 18.54696 0.000000       18.54696 
1 1 1 -15 25 16 f 169.9552 11.58652 858.1656       114.7977 0.000000       0.000000 858.1656       114.7977 ?        ?        169.9552 11.58652 0.000000       11.58652 
1 1 1 -15 25 17 o 199.5321 10.72847 1179.989       125.0839 0.000000       0.000000 1179.989       125.0839 ?        ?        199.5321 10.72847 0.000000       10.72847 
1 1 1 -15 25 18 o 224.0451 10.27745 1486.503       134.6831 0.000000       0.000000 1486.503       134.6831 ?        ?        224.0451 10.27745 0.000000       10.27745 
1 1 1 -15 25 19 o 288.7959 9.094139 2463.959       153.8372 0.000000       0.000000 2463.959       153.8372 ?        ?        288.7959 9.094139 0.000000       9.094139 
1 1 1 -15 25 20 o 373.8925 9.098236 4127.492       199.5053 0.000000       0.000000 4127.492       199.5053 ?        ?        373.8925 9.098236 0.000000       9.098236 
1 1 1 -15 25 21 o 150.7319 13.33943 681.5812       116.7055 0.000000       0.000000 681.5812       116.7055 ?        ?        150.7319 13.33943 0.000000       13.33943 
1 1 1 -15 25 22 o 163.2432 12.74155 797.6475       121.0198 0.000000       0.000000 797.6475       121.0198 ?        ?        163.2432 12.74155 0.000000       12.74155 
1 1 1 -15 25 23 o 97.98999 20.21585 302.6919       112.3212 0.000000       0.000000 302.6919       112.3212 ?        ?        97.98999 20.21585 0.000000       20.21585 
1 1 1 -15 25 24 o 124.6972 16.02522 475.6656       114.4895 0.000000       0.000000 475.6656       114.4895 ?        ?        124.6972 16.02522 0.000000       16.02522 
1 1 1 -15 25 25 o 181.5136 11.42949 985.0877       121.0531 0.000000       0.000000 985.0877       121.0531 ?        ?        181.5136 11.42949 0.000000       11.42949 
1 1 1 -15 25 26 o 124.3244 15.22885 474.1517       108.7227 0.000000       0.000000 474.1517       108.7227 ?        ?        124.3244 15.22885 0.000000       15.22885 
1 1 1 -15 25 27 o 120.1277 14.85446 443.9117       102.4252 0.000000       0.000000 443.9117       102.4252 ?        ?        120.1277 14.85446 0.000000       14.85446 
1 1 1 -15 25 28 f 33.16973 15.97414 -129.1793      92.00460 -5.383375      492.7391 -133.6514      93.65165 89.29851 41.05273 33.31434 16.06205 55.98417       44.08306 
1 1 1 -15 25 29 o 91.59812 19.26911 272.1765       100.2286 392.7384       483.3289 266.7590       102.4557 105.6399 44.84205 90.42097 19.86438 15.21889       49.04491 
1 1 1 -15 25 30 o 187.0961 10.40142 1053.015       113.6829 1946.512       497.4891 1003.787       116.7727 222.7830 39.52324 182.4013 10.96663 40.38174       41.01650 
1 1 1 -15 25 31 o 39.40012 18.26809 -69.02755      100.6235 0.000000       0.000000 -69.02755      100.6235 ?        ?        39.40012 18.26809 0.000000       18.26809 
1 1 1 -15 25 32 o 37.99493 17.81308 -83.26311      100.0242 -537.6465      432.6457 -57.60504      102.8095 64.95153 31.99651 40.68623 18.72184 24.26530       37.07133 
1 1 1 -15 25 33 o 98.43491 19.29318 320.7849       107.3951 846.9870       456.3692 289.9366       110.4983 126.3837 46.63768 92.62324 20.84635 33.76048       51.08467 
1 1 1 -15 25 34 o 73.34013 22.47225 185.1331       105.7753 74.41766       511.4133 190.0809       108.1130 84.78089 39.91396 74.18843 22.71677 10.59246       45.92576 
1 1 1 -15 25 35 o 114.0996 17.02870 422.3610       110.4676 -267.0238      492.0062 458.9587       113.3619 72.92365 35.54285 119.2443 16.66429 -46.32068      39.25548 
1 1 1 -15 25 36 o 55.61705 22.66168 70.81161       116.3839 152.0930       477.5224 65.67844       120.0026 83.31358 39.01511 55.44618 22.84822 27.86740       45.21305 
1 1 1 -15 25 37 o 108.3211 19.83789 399.0789       121.3829 839.8004       456.3226 365.5202       125.9194 115.8372 45.65513 102.2053 21.67989 13.63190       50.54116 
1 1 1 -15 25 38 o 56.51373 22.69299 83.41290       114.7989 -354.4875      454.9661 113.1887       118.6377 66.23270 32.66273 60.82730 23.47640 5.405403       40.22432 
1 1 1 -15 25 39 o 112.3288 22.21595 448.9478       141.1681 383.2351       423.9277 457.1434       149.7127 87.85650 39.46828 112.1919 23.50710 -24.33539      45.93831 
1 1 1 -15 25 40 o 56.65496 24.09843 64.83944       140.0821 -49.53802      455.6842 76.77631       147.2105 72.42766 35.04466 58.57840 24.80138 13.84925       42.93293 
1 1 1 -15 26 1  o 259.2111 10.24200 1983.514       155.3936 0.000000       0.000000 1983.514       155.3936 ?        ?        259.2111 10.24200 0.000000       10.24200 
1 1 1 -15 26 2  o 262.4078 17.90535 2060.262       273.9052 0.000000       0.000000 2060.262       273.9052 ?        ?        262.4078 17.90535 0.000000       17.90535 
1 1 1 -15 26 3  o 238.0632 10.06151 1673.210       140.1605 0.000000       0.000000 1673.210       140.1605 ?        ?        238.0632 10.06151 0.000000       10.06151 
1 1 1 -15 26 4  o 188.0583 11.26275 1047.322       123.6497 0.000000       0.000000 1047.322       123.6497 ?        ?        188.0583 11.26275 0.000000       11.26275 
1 1 1 -15 26 5  o 153.1799 13.27775 699.2457       118.1056 0.000000       0.000000 699.2457       118.1056 ?        ?        153.1799 13.27775 0.000000       13.27775 
1 1 1 -15 26 6  o 57.28343 21.72047 71.76720       100.3732 0.000000       0.000000 71.76720       100.3732 ?        ?        57.28343 21.72047 0.000000       21.72047 
1 1 1 -15 26 7  f 176.4586 14.53808 929.0625       149.1193 0.000000       0.000000 929.0625       149.1193 ?        ?        176.4586 14.53808 0.000000       14.53808 
1 1 1 -15 26 8  o 193.7529 10.35374 1110.116       117.2238 0.000000       0.000000 1110.116       117.2238 ?        ?        193.7529 10.35374 0.000000       10.35374 
1 1 1 -15 26 9  o 365.3932 8.706516 3931.022       186.5758 0.000000       0.000000 3931.022       186.5758 ?        ?        365.3932 8.706516 0.000000       8.706516 
1 1 1 -15 26 10 o 40.79536 18.50714 -53.77758      95.90964 0.000000       0.000000 -53.77758      95.90964 ?        ?        40.79536 18.50714 0.000000       18.50714 
1 1 1 -15 26 11 o 262.7609 8.759943 2035.714       134.8047 0.000000       0.000000 2035.714       134.8047 ?        ?        262.7609 8.759943 0.000000       8.759943 
1 1 1 -15 26 12 o 162.5558 18.08466 799.0608       169.4950 0.000000       0.000000 799.0608       169.4950 ?        ?        162.5558 18.08466 0.000000       18.08466 
1 1 1 -15 26 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 26 14 o 176.4294 10.93543 923.2639       112.5945 0.000000       0.000000 923.2639       112.5945 ?        ?        176.4294 10.93543 0.000000       10.93543 
1 1 1 -15 26 15 o 117.3624 14.93326 416.3303       100.4615 0.000000       0.000000 416.3303       100.4615 ?        ?        117.3624 14.93326 0.000000       14.93326 
1 1 1 -15 26 16 o 165.5128 11.51730 814.9313       111.1002 0.000000       0.000000 814.9313       111.1002 ?        ?        165.5128 11.51730 0.000000       11.51730 
1 1 1 -15 26 17 o 78.85959 20.98849 195.1955       98.77376 0.000000       0.000000 195.1955       98.77376 ?        ?        78.85959 20.98849 0.000000       20.98849 
1 1 1 -15 26 18 o 193.8541 10.54747 1115.140       119.4634 0.000000       0.000000 1115.140       119.4634 ?        ?        193.8541 10.54747 0.000000       10.54747 
1 1 1 -15 26 19 o 151.8999 12.55505 690.1807       110.8496 0.000000       0.000000 690.1807       110.8496 ?        ?        151.8999 12.55505 0.000000       12.55505 
1 1 1 -15 26 20 o 52.65274 21.39222 38.94653       103.3566 0.000000       0.000000 38.94653       103.3566 ?        ?        52.65274 21.39222 0.000000       21.39222 
1 1 1 -15 26 21 o 55.65529 22.28632 52.25427       110.4013 0.000000       0.000000 52.25427       110.4013 ?        ?        55.65529 22.28632 0.000000       22.28632 
1 1 1 -15 26 22 o 237.1644 10.10689 1669.638       140.2558 0.000000       0.000000 1669.638       140.2558 ?        ?        237.1644 10.10689 0.000000       10.10689 
1 1 1 -15 26 23 o 117.2546 17.50026 425.1422       116.6656 0.000000       0.000000 425.1422       116.6656 ?        ?        117.2546 17.50026 0.000000       17.50026 
1 1 1 -15 26 24 o 108.5074 17.33793 366.1240       106.6215 0.000000       0.000000 366.1240       106.6215 ?        ?        108.5074 17.33793 0.000000       17.33793 
1 1 1 -15 26 25 o 57.43403 21.82345 79.79665       101.4564 0.000000       0.000000 79.79665       101.4564 ?        ?        57.43403 21.82345 0.000000       21.82345 
1 1 1 -15 26 26 o 64.93405 21.99062 128.1235       99.66595 0.000000       0.000000 128.1235       99.66595 ?        ?        64.93405 21.99062 0.000000       21.99062 
1 1 1 -15 26 27 o 162.5836 11.43023 797.2020       108.2944 0.000000       0.000000 797.2020       108.2944 ?        ?        162.5836 11.43023 0.000000       11.43023 
1 1 1 -15 26 28 o 186.9828 10.65691 1051.454       116.3808 0.000000       0.000000 1051.454       116.3808 ?        ?        186.9828 10.65691 0.000000       10.65691 
1 1 1 -15 26 29 f 80.68620 21.63238 217.2294       104.4519 0.000000       0.000000 217.2294       104.4519 ?        ?        80.68620 21.63238 0.000000       21.63238 
1 1 1 -15 26 30 o 69.49850 22.37821 158.3010       103.6261 -237.3030      483.8073 177.3226       106.0881 77.63071 37.18828 72.96671 22.53226 4.663994       43.48185 
1 1 1 -15 26 31 f 186.8414 11.07500 1058.335       120.8133 223.1930       473.8920 1116.387       124.9417 92.07175 41.51370 191.8700 11.15129 -99.79828      42.98533 
1 1 1 -15 26 32 o 151.0576 13.09254 704.6727       114.8449 1339.223       504.7476 670.0287       117.9383 160.0009 49.10177 146.8315 13.85972 13.16948       51.02034 
1 1 1 -15 26 33 o 74.46935 23.33646 192.0636       113.3386 -207.2726      489.9994 214.6363       116.4978 75.51737 36.49113 78.33179 23.49740 -2.814423      43.40197 
1 1 1 -15 26 34 o 103.4341 19.86217 359.6204       116.1083 535.4550       505.2082 349.8152       119.3017 101.2831 44.41108 101.3968 20.76130 -0.1137085     49.02423 
1 1 1 -15 26 35 o 52.90816 22.07346 50.84057       113.9516 77.88394       475.7404 49.19460       117.3681 80.86073 38.19876 53.20143 22.31322 27.65930       44.23828 
1 1 1 -15 26 36 o 47.75280 21.08967 2.065948       115.8358 836.9777       473.6538 -51.04548      119.4634 114.3834 46.03765 43.81598 20.16901 70.56738       50.26185 
1 1 1 -15 26 37 o 116.4862 18.85537 455.9071       124.4139 -64.51777      456.4921 497.6661       129.3091 73.80328 35.55265 121.9251 18.67767 -48.12177      40.16026 
1 1 1 -15 26 38 o 67.08740 24.84120 156.6826       129.6700 344.6636       457.4739 140.2603       135.2155 86.34682 39.64450 65.09862 25.07934 21.24820       46.91119 
1 1 1 -15 26 39 f 66.95544 25.65565 154.2734       140.9737 16.82358       430.1091 170.8167       149.2164 73.50741 35.17298 69.30611 26.43476 4.201294       43.99926 
1 1 1 -15 27 1  f 138.7655 15.68033 578.8992       125.3780 0.000000       0.000000 578.8992       125.3780 ?        ?        138.7655 15.68033 0.000000       15.68033 
1 1 1 -15 27 2  o 161.8815 15.34838 784.6761       143.9764 233.9050       451.7511 846.9454       151.8974 110.5547 44.79442 168.1848 15.57669 -57.63013      47.42545 
1 1 1 -15 27 3  o 179.8975 11.21082 958.9666       117.6926 1271.132       457.9280 936.8881       121.7835 196.6146 41.04072 177.7151 11.75054 18.89951       42.68977 
1 1 1 -15 27 4  o 268.2306 9.472689 2122.539       148.7818 0.000000       0.000000 2122.539       148.7818 ?        ?        268.2306 9.472689 0.000000       9.472689 
1 1 1 -15 27 5  o 218.3748 9.839334 1408.540       125.6903 1661.085       468.0277 1388.911       130.4836 227.8073 36.24407 216.7709 10.29312 11.03635       37.67732 
1 1 1 -15 27 6  o 232.5537 15.22412 1612.754       206.4958 0.000000       0.000000 1612.754       206.4958 ?        ?        232.5537 15.22412 0.000000       15.22412 
1 1 1 -15 27 7  o 100.7242 25.06049 319.7619       147.4363 0.000000       0.000000 319.7619       147.4363 ?        ?        100.7242 25.06049 0.000000       25.06049 
1 1 1 -15 27 8  o 333.5312 8.834079 3279.163       172.6496 0.000000       0.000000 3279.163       172.6496 ?        ?        333.5312 8.834079 0.000000       8.834079 
1 1 1 -15 27 9  o 34.41463 16.36732 -112.2465      90.22482 0.000000       0.000000 -112.2465      90.22482 ?        ?        34.41463 16.36732 0.000000       16.36732 
1 1 1 -15 27 10 o 85.64109 19.34280 228.4017       94.84920 0.000000       0.000000 228.4017       94.84920 ?        ?        85.64109 19.34280 0.000000       19.34280 
1 1 1 -15 27 11 o 111.3321 15.79154 376.1771       100.2191 0.000000       0.000000 376.1771       100.2191 ?        ?        111.3321 15.79154 0.000000       15.79154 
1 1 1 -15 27 12 o 179.6070 10.59148 956.2242       111.0703 0.000000       0.000000 956.2242       111.0703 ?        ?        179.6070 10.59148 0.000000       10.59148 
1 1 1 -15 27 13 o 77.66911 20.67115 188.5950       95.81094 0.000000       0.000000 188.5950       95.81094 ?        ?        77.66911 20.67115 0.000000       20.67115 
1 1 1 -15 27 14 o 202.3039 33.80049 1327.473       386.8924 0.000000       0.000000 1327.473       386.8924 ?        ?        202.3039 33.80049 0.000000       33.80049 
1 1 1 -15 27 15 o 170.5267 16.73375 878.9888       165.2013 0.000000       0.000000 878.9888       165.2013 ?        ?        170.5267 16.73375 0.000000       16.73375 
1 1 1 -15 27 16 o 197.8484 10.64453 1161.642       123.0573 0.000000       0.000000 1161.642       123.0573 ?        ?        197.8484 10.64453 0.000000       10.64453 
1 1 1 -15 27 17 o 146.1289 13.00915 639.9247       110.3256 0.000000       0.000000 639.9247       110.3256 ?        ?        146.1289 13.00915 0.000000       13.00915 
1 1 1 -15 27 18 o 176.2835 11.52586 925.7114       118.5078 0.000000       0.000000 925.7114       118.5078 ?        ?        176.2835 11.52586 0.000000       11.52586 
1 1 1 -15 27 19 o 218.3425 10.28995 1414.667       131.3949 0.000000       0.000000 1414.667       131.3949 ?        ?        218.3425 10.28995 0.000000       10.28995 
1 1 1 -15 27 20 o 231.2604 10.24831 1587.623       138.6514 0.000000       0.000000 1587.623       138.6514 ?        ?        231.2604 10.24831 0.000000       10.24831 
1 1 1 -15 27 21 o 221.9151 10.40844 1464.021       135.0862 0.000000       0.000000 1464.021       135.0862 ?        ?        221.9151 10.40844 0.000000       10.40844 
1 1 1 -15 27 22 o 119.0316 17.45713 438.3702       118.2467 0.000000       0.000000 438.3702       118.2467 ?        ?        119.0316 17.45713 0.000000       17.45713 
1 1 1 -15 27 23 o 146.0156 13.56960 645.5950       114.8731 0.000000       0.000000 645.5950       114.8731 ?        ?        146.0156 13.56960 0.000000       13.56960 
1 1 1 -15 27 24 o 93.93573 25.93416 294.5755       147.5629 0.000000       0.000000 294.5755       147.5629 ?        ?        93.93573 25.93416 0.000000       25.93416 
1 1 1 -15 27 25 o 54.39663 21.26457 64.82069       98.30202 0.000000       0.000000 64.82069       98.30202 ?        ?        54.39663 21.26457 0.000000       21.26457 
1 1 1 -15 27 26 o 58.93258 21.55192 96.26511       97.10415 0.000000       0.000000 96.26511       97.10415 ?        ?        58.93258 21.55192 0.000000       21.55192 
1 1 1 -15 27 27 o 101.7797 18.36119 332.2381       105.5688 0.000000       0.000000 332.2381       105.5688 ?        ?        101.7797 18.36119 0.000000       18.36119 
1 1 1 -15 27 28 o 60.82798 22.11937 107.0195       102.0755 0.000000       0.000000 107.0195       102.0755 ?        ?        60.82798 22.11937 0.000000       22.11937 
1 1 1 -15 27 29 o 147.7721 13.53775 672.1440       116.0224 0.000000       0.000000 672.1440       116.0224 ?        ?        147.7721 13.53775 0.000000       13.53775 
1 1 1 -15 27 30 o 84.81007 22.32053 245.6658       112.5089 0.000000       0.000000 245.6658       112.5089 ?        ?        84.81007 22.32053 0.000000       22.32053 
1 1 1 -15 27 31 o 128.4407 15.77891 522.4382       116.3638 0.000000       0.000000 522.4382       116.3638 ?        ?        128.4407 15.77891 0.000000       15.77891 
1 1 1 -15 27 32 o 148.1511 13.73904 683.2527       118.0146 2354.570       580.7366 611.2603       120.5295 224.2720 45.70506 139.3116 14.98764 84.96045       48.09971 
1 1 1 -15 27 33 o 116.0411 18.26118 442.1640       120.1751 492.0950       550.2671 439.6632       123.1479 99.11263 44.70706 115.3104 18.86139 -16.19777      48.52291 
1 1 1 -15 27 34 o 88.65906 22.89342 279.3367       119.8589 298.2803       488.9580 278.1256       123.6309 89.15362 40.95264 88.08022 23.49905 1.073402       47.21572 
1 1 1 -15 27 35 o 64.69176 23.93033 137.5521       120.2816 -145.0333      496.8672 155.1432       123.9689 74.18726 36.05890 67.42755 24.39664 6.759712       43.53666 
1 1 1 -15 27 36 o 104.4247 21.69930 382.5572       128.5477 15.60802       546.4850 404.0503       132.2589 79.33582 38.38493 107.3541 21.75270 -28.01831      44.12009 
1 1 1 -15 27 37 f 51.07140 22.16845 28.11043       123.1722 -54.41169      508.2333 33.25985       126.9570 75.04964 36.47598 52.11832 22.56510 22.93131       42.89150 
1 1 1 -15 27 38 o 57.61761 23.93947 80.24070       133.2366 97.25320       472.5760 78.77163       138.8702 77.43109 37.00100 58.02468 24.29932 19.40641       44.26659 
1 1 1 -15 27 39 o 90.99212 24.98186 316.7550       137.3564 -307.2031      472.8498 374.2582       143.5462 66.36243 32.83191 99.47704 24.71464 -33.11461      41.09437 
1 1 1 -15 28 1  o 118.8318 17.32587 429.6886       117.1959 -284.7646      439.4030 484.4055       121.6009 82.55866 38.24260 126.4309 16.81621 -43.87219      41.77656 
1 1 1 -15 28 2  o 66.92917 22.74356 126.5692       106.6155 974.4626       470.1458 80.60223       109.4673 168.9277 46.15407 59.98347 22.69707 108.9442       51.43302 
1 1 1 -15 28 3  o 118.8236 15.71149 427.0268       106.8085 47.57670       467.6523 447.9095       109.7083 100.4410 43.39732 121.7353 15.73404 -21.29424      46.16154 
1 1 1 -15 28 4  o 178.1803 10.94851 941.1396       113.8578 767.0098       486.1753 951.2440       117.1147 150.6314 48.46872 179.0920 11.20642 -28.46063      49.74737 
1 1 1 -15 28 5  o 156.9491 12.19695 733.1432       111.3885 0.000000       0.000000 733.1432       111.3885 ?        ?        156.9491 12.19695 0.000000       12.19695 
1 1 1 -15 28 6  o 200.1924 12.32006 1190.611       143.9469 895.8717       513.9915 1215.695       149.9473 160.8751 49.58192 202.2151 12.70796 -41.34003      51.18456 
1 1 1 -15 28 7  o 75.66929 20.84545 177.9200       95.45272 0.000000       0.000000 177.9200       95.45272 ?        ?        75.66929 20.84545 0.000000       20.84545 
1 1 1 -15 28 8  o 114.7902 15.25354 398.7590       100.1503 0.000000       0.000000 398.7590       100.1503 ?        ?        114.7902 15.25354 0.000000       15.25354 
1 1 1 -15 28 9  o 62.61611 21.38767 110.1733       94.30113 0.000000       0.000000 110.1733       94.30113 ?        ?        62.61611 21.38767 0.000000       21.38767 
1 1 1 -15 28 10 o 72.31309 25.96024 140.1274       140.0411 0.000000       0.000000 140.1274       140.0411 ?        ?        72.31309 25.96024 0.000000       25.96024 
1 1 1 -15 28 11 o 248.8687 9.107277 1829.640       132.7016 0.000000       0.000000 1829.640       132.7016 ?        ?        248.8687 9.107277 0.000000       9.107277 
1 1 1 -15 28 12 o 205.0371 10.05485 1245.183       120.5402 0.000000       0.000000 1245.183       120.5402 ?        ?        205.0371 10.05485 0.000000       10.05485 
1 1 1 -15 28 13 o 135.8327 13.11298 553.2426       103.1644 0.000000       0.000000 553.2426       103.1644 ?        ?        135.8327 13.11298 0.000000       13.11298 
1 1 1 -15 28 14 o 148.0554 17.82564 668.1747       151.6714 0.000000       0.000000 668.1747       151.6714 ?        ?        148.0554 17.82564 0.000000       17.82564 
1 1 1 -15 28 15 o 189.4658 11.21511 1067.489       124.0616 0.000000       0.000000 1067.489       124.0616 ?        ?        189.4658 11.21511 0.000000       11.21511 
1 1 1 -15 28 16 o 200.3663 14.92001 1206.521       174.0668 0.000000       0.000000 1206.521       174.0668 ?        ?        200.3663 14.92001 0.000000       14.92001 
1 1 1 -15 28 17 o 275.9517 15.97382 2292.315       257.4140 0.000000       0.000000 2292.315       257.4140 ?        ?        275.9517 15.97382 0.000000       15.97382 
1 1 1 -15 28 18 o 151.5740 13.82976 691.6308       121.5863 0.000000       0.000000 691.6308       121.5863 ?        ?        151.5740 13.82976 0.000000       13.82976 
1 1 1 -15 28 19 o 177.0549 12.23355 937.9398       126.2504 0.000000       0.000000 937.9398       126.2504 ?        ?        177.0549 12.23355 0.000000       12.23355 
1 1 1 -15 28 20 o 177.4998 11.81112 942.4879       122.2536 0.000000       0.000000 942.4879       122.2536 ?        ?        177.4998 11.81112 0.000000       11.81112 
1 1 1 -15 28 21 o 132.3150 15.03123 534.1127       114.5770 0.000000       0.000000 534.1127       114.5770 ?        ?        132.3150 15.03123 0.000000       15.03123 
1 1 1 -15 28 22 o 135.1475 14.40264 557.0184       112.3997 0.000000       0.000000 557.0184       112.3997 ?        ?        135.1475 14.40264 0.000000       14.40264 
1 1 1 -15 28 23 o 45.39390 21.48422 -151.3073      151.8131 0.000000       0.000000 -151.3073      151.8131 ?        ?        45.39390 21.48422 0.000000       21.48422 
1 1 1 -15 28 24 o 75.31611 21.72227 185.2133       101.2235 0.000000       0.000000 185.2133       101.2235 ?        ?        75.31611 21.72227 0.000000       21.72227 
1 1 1 -15 28 25 o 108.2938 17.53215 371.5094       107.5463 0.000000       0.000000 371.5094       107.5463 ?        ?        108.2938 17.53215 0.000000       17.53215 
1 1 1 -15 28 26 o 202.7406 10.23456 1234.138       121.2980 0.000000       0.000000 1234.138       121.2980 ?        ?        202.7406 10.23456 0.000000       10.23456 
1 1 1 -15 28 27 f 133.7970 14.61670 554.7354       112.8319 0.000000       0.000000 554.7354       112.8319 ?        ?        133.7970 14.61670 0.000000       14.61670 
1 1 1 -15 28 28 o 134.0348 14.45535 557.9079       111.8360 0.000000       0.000000 557.9079       111.8360 ?        ?        134.0348 14.45535 0.000000       14.45535 
1 1 1 -15 28 29 o 59.87815 22.40749 102.2474       106.0449 0.000000       0.000000 102.2474       106.0449 ?        ?        59.87815 22.40749 0.000000       22.40749 
1 1 1 -15 28 30 o 114.4102 18.23759 425.9760       118.2670 0.000000       0.000000 425.9760       118.2670 ?        ?        114.4102 18.23759 0.000000       18.23759 
1 1 1 -15 28 31 o 167.9115 12.71597 869.5170       124.2910 0.000000       0.000000 869.5170       124.2910 ?        ?        167.9115 12.71597 0.000000       12.71597 
1 1 1 -15 28 32 o 54.11118 22.55284 52.82528       118.7810 0.000000       0.000000 52.82528       118.7810 ?        ?        54.11118 22.55284 0.000000       22.55284 
1 1 1 -15 28 33 o 56.98388 23.19194 76.41241       121.7268 0.000000       0.000000 76.41241       121.7268 ?        ?        56.98388 23.19194 0.000000       23.19194 
1 1 1 -15 28 34 o 44.18472 20.23366 -43.41053      118.1187 356.7853       520.1464 -65.17023      121.2874 90.04506 41.67468 43.11627 20.01357 46.92879       46.23118 
1 1 1 -15 28 35 o 81.27832 24.40315 243.6891       125.6102 -357.0652      536.2014 278.5713       129.2055 70.70105 34.97544 86.87531 24.37365 -16.17426      42.63046 
1 1 1 -15 28 36 o 58.69748 23.76649 92.98171       127.0686 -452.9245      534.5817 125.6724       130.8179 67.87534 33.80423 63.05988 24.56529 4.815468       41.78732 
1 1 1 -15 28 37 o 72.84536 25.22768 197.2645       131.3452 831.7026       490.6931 148.2996       136.3195 107.6683 45.41763 66.03182 25.24680 41.63647       51.96308 
1 1 1 -15 28 38 o 90.87464 24.74646 314.0474       135.4181 -65.60065      490.2670 345.4045       140.8996 72.71117 35.44829 95.28815 24.93052 -22.57698      43.33719 
1 1 1 -15 29 1  o 246.9500 10.56326 1804.794       152.6346 0.000000       0.000000 1804.794       152.6346 ?        ?        246.9500 10.56326 0.000000       10.56326 
1 1 1 -15 29 2  o 277.0791 14.46518 2288.740       234.2456 3214.094       508.7636 2039.805       263.8791 322.2240 27.17508 260.5838 17.36571 61.64023       32.24985 
1 1 1 -15 29 3  o 166.4055 15.19366 831.1794       146.6452 125.2555       488.1425 901.2084       153.7470 105.4214 44.91823 173.3038 15.28327 -67.88239      47.44708 
1 1 1 -15 29 4  o 367.3716 8.859716 3978.955       190.8868 4915.380       582.3469 3866.229       202.0499 400.2799 24.93037 361.8553 9.529087 38.42468       26.68945 
1 1 1 -15 29 5  o 122.4148 15.45854 453.4654       108.5120 1941.024       518.3677 385.2920       110.9707 243.5762 37.48743 112.2006 17.42948 131.3756       41.34120 
1 1 1 -15 29 6  o 316.3788 15.33136 2991.177       283.6245 0.000000       0.000000 2991.177       283.6245 ?        ?        316.3788 15.33136 0.000000       15.33136 
1 1 1 -15 29 7  o 255.7260 8.533596 1930.004       127.8053 2947.821       618.0565 1884.537       130.6286 301.8505 35.59669 252.6353 8.830029 49.21524       36.67552 
1 1 1 -15 29 8  o 205.0831 9.809148 1245.014       117.6388 0.000000       0.000000 1245.014       117.6388 ?        ?        205.0831 9.809148 0.000000       9.809148 
1 1 1 -15 29 9  f 250.1585 8.964675 1848.716       131.3099 0.000000       0.000000 1848.716       131.3099 ?        ?        250.1585 8.964675 0.000000       8.964675 
1 1 1 -15 29 10 f 241.6322 9.390680 1726.573       132.8235 0.000000       0.000000 1726.573       132.8235 ?        ?        241.6322 9.390680 0.000000       9.390680 
1 1 1 -15 29 11 o 202.4142 10.18176 1214.550       120.4807 0.000000       0.000000 1214.550       120.4807 ?        ?        202.4142 10.18176 0.000000       10.18176 
1 1 1 -15 29 12 o 293.1586 9.592149 2542.228       164.6963 0.000000       0.000000 2542.228       164.6963 ?        ?        293.1586 9.592149 0.000000       9.592149 
1 1 1 -15 29 13 o 143.4985 13.49311 618.4289       112.2234 0.000000       0.000000 618.4289       112.2234 ?        ?        143.4985 13.49311 0.000000       13.49311 
1 1 1 -15 29 14 o 153.7282 17.50731 720.2253       155.0329 0.000000       0.000000 720.2253       155.0329 ?        ?        153.7282 17.50731 0.000000       17.50731 
1 1 1 -15 29 15 o 239.0526 10.15074 1694.709       141.9881 0.000000       0.000000 1694.709       141.9881 ?        ?        239.0526 10.15074 0.000000       10.15074 
1 1 1 -15 29 16 o 105.8861 19.29492 350.2390       115.4076 0.000000       0.000000 350.2390       115.4076 ?        ?        105.8861 19.29492 0.000000       19.29492 
1 1 1 -15 29 17 o 227.4704 10.60184 1538.395       141.0459 0.000000       0.000000 1538.395       141.0459 ?        ?        227.4704 10.60184 0.000000       10.60184 
1 1 1 -15 29 18 f 76.77149 23.14849 186.1538       112.8500 0.000000       0.000000 186.1538       112.8500 ?        ?        76.77149 23.14849 0.000000       23.14849 
1 1 1 -15 29 19 o 237.9090 13.39923 1701.334       186.2011 0.000000       0.000000 1701.334       186.2011 ?        ?        237.9090 13.39923 0.000000       13.39923 
1 1 1 -15 29 20 o 48.26854 20.68425 5.570623       104.5797 0.000000       0.000000 5.570623       104.5797 ?        ?        48.26854 20.68425 0.000000       20.68425 
1 1 1 -15 29 21 o 40.15206 18.39857 -58.55833      97.87074 0.000000       0.000000 -58.55833      97.87074 ?        ?        40.15206 18.39857 0.000000       18.39857 
1 1 1 -15 29 22 o 107.2558 17.86336 363.3594       108.4156 0.000000       0.000000 363.3594       108.4156 ?        ?        107.2558 17.86336 0.000000       17.86336 
1 1 1 -15 29 23 o 146.7834 13.37695 657.3403       113.8915 0.000000       0.000000 657.3403       113.8915 ?        ?        146.7834 13.37695 0.000000       13.37695 
1 1 1 -15 29 24 o 111.6903 16.86765 393.2862       107.0493 0.000000       0.000000 393.2862       107.0493 ?        ?        111.6903 16.86765 0.000000       16.86765 
1 1 1 -15 29 25 o 173.2776 11.96341 910.7385       120.8298 0.000000       0.000000 910.7385       120.8298 ?        ?        173.2776 11.96341 0.000000       11.96341 
1 1 1 -15 29 26 o 73.19142 22.49678 177.9208       105.9029 0.000000       0.000000 177.9208       105.9029 ?        ?        73.19142 22.49678 0.000000       22.49678 
1 1 1 -15 29 27 o 207.3025 11.15292 1301.017       135.0957 0.000000       0.000000 1301.017       135.0957 ?        ?        207.3025 11.15292 0.000000       11.15292 
1 1 1 -15 29 28 o 107.8048 18.96136 380.5593       115.5083 0.000000       0.000000 380.5593       115.5083 ?        ?        107.8048 18.96136 0.000000       18.96136 
1 1 1 -15 29 29 o 71.16357 23.04145 171.7380       109.7631 0.000000       0.000000 171.7380       109.7631 ?        ?        71.16357 23.04145 0.000000       23.04145 
1 1 1 -15 29 30 o 66.49474 23.60669 144.2778       115.4774 0.000000       0.000000 144.2778       115.4774 ?        ?        66.49474 23.60669 0.000000       23.60669 
1 1 1 -15 29 31 o 150.7248 14.44754 714.4015       126.1494 0.000000       0.000000 714.4015       126.1494 ?        ?        150.7248 14.44754 0.000000       14.44754 
1 1 1 -15 29 32 o 56.60974 23.32520 70.06375       125.0477 0.000000       0.000000 70.06375       125.0477 ?        ?        56.60974 23.32520 0.000000       23.32520 
1 1 1 -15 29 33 o 78.29453 24.67143 224.5163       126.5052 0.000000       0.000000 224.5163       126.5052 ?        ?        78.29453 24.67143 0.000000       24.67143 
1 1 1 -15 29 34 o 64.56039 24.71500 134.1353       130.7448 0.000000       0.000000 134.1353       130.7448 ?        ?        64.56039 24.71500 0.000000       24.71500 
1 1 1 -15 29 35 o 87.13916 25.72754 289.8797       140.5359 0.000000       0.000000 289.8797       140.5359 ?        ?        87.13916 25.72754 0.000000       25.72754 
1 1 1 -15 29 36 o 66.69157 25.51723 152.4131       139.3209 0.000000       0.000000 152.4131       139.3209 ?        ?        66.69157 25.51723 0.000000       25.51723 
1 1 1 -15 29 37 o 216.9671 12.15559 1467.354       154.0567 1409.029       548.7120 1472.345       160.5129 133.4540 50.74213 216.7737 12.68100 -83.31963      52.30270 
1 1 1 -15 30 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 30 2  o 254.0352 29.70508 2040.902       434.2172 2040.902       434.2172 0.000000       0.000000 254.0352 29.70508 ?        ?        0.000000       29.70508 
1 1 1 -15 30 3  o 398.2635 9.024492 4680.286       210.7870 6842.740       630.4027 4408.085       223.6604 473.2327 22.78087 386.1458 9.884266 87.08691       24.83277 
1 1 1 -15 30 4  o 175.7526 12.92745 922.2753       132.3170 0.000000       0.000000 922.2753       132.3170 ?        ?        175.7526 12.92745 0.000000       12.92745 
1 1 1 -15 30 5  o 312.9533 9.181627 2893.441       168.3371 4596.827       594.8290 2745.140       175.5121 384.6644 26.52942 304.6532 9.836043 80.01114       28.29413 
1 1 1 -15 30 6  o 96.21951 19.78259 289.4539       107.9026 -298.6421      492.3767 319.1221       110.5908 86.07431 40.07920 101.2629 19.32649 -15.18855      44.49557 
1 1 1 -15 30 7  o 366.2634 8.968802 3959.490       192.6542 0.000000       0.000000 3959.490       192.6542 ?        ?        366.2634 8.968802 0.000000       8.968802 
1 1 1 -15 30 8  o 224.5937 9.433388 1492.636       123.9789 1625.311       508.3921 1484.247       127.8384 218.2193 41.23483 223.8896 9.759361 -5.670364      42.37400 
1 1 1 -15 30 9  o 272.8420 9.357195 2201.632       149.5079 0.000000       0.000000 2201.632       149.5079 ?        ?        272.8420 9.357195 0.000000       9.357195 
1 1 1 -15 30 10 o 138.6997 13.63516 578.4030       109.4817 0.000000       0.000000 578.4030       109.4817 ?        ?        138.6997 13.63516 0.000000       13.63516 
1 1 1 -15 30 11 o 104.3490 26.04521 350.9892       158.8805 0.000000       0.000000 350.9892       158.8805 ?        ?        104.3490 26.04521 0.000000       26.04521 
1 1 1 -15 30 12 o 221.3879 10.20590 1453.921       132.1556 0.000000       0.000000 1453.921       132.1556 ?        ?        221.3879 10.20590 0.000000       10.20590 
1 1 1 -15 30 13 o 105.7448 18.25644 347.0256       109.1294 0.000000       0.000000 347.0256       109.1294 ?        ?        105.7448 18.25644 0.000000       18.25644 
1 1 1 -15 30 14 o 255.1142 9.827991 1929.882       146.7699 0.000000       0.000000 1929.882       146.7699 ?        ?        255.1142 9.827991 0.000000       9.827991 
1 1 1 -15 30 15 o 114.5831 17.84049 406.4589       115.9872 0.000000       0.000000 406.4589       115.9872 ?        ?        114.5831 17.84049 0.000000       17.84049 
1 1 1 -15 30 16 o 44.81281 20.15550 -44.66947      110.9249 0.000000       0.000000 -44.66947      110.9249 ?        ?        44.81281 20.15550 0.000000       20.15550 
1 1 1 -15 30 17 o 166.3877 12.48943 831.8243       120.9854 0.000000       0.000000 831.8243       120.9854 ?        ?        166.3877 12.48943 0.000000       12.48943 
1 1 1 -15 30 18 o 269.1777 9.695766 2154.648       152.8135 0.000000       0.000000 2154.648       152.8135 ?        ?        269.1777 9.695766 0.000000       9.695766 
1 1 1 -15 30 19 o 150.1471 13.77912 685.0916       119.9841 0.000000       0.000000 685.0916       119.9841 ?        ?        150.1471 13.77912 0.000000       13.77912 
1 1 1 -15 30 20 o 103.2453 19.19640 340.3240       111.9588 0.000000       0.000000 340.3240       111.9588 ?        ?        103.2453 19.19640 0.000000       19.19640 
1 1 1 -15 30 21 o 69.18839 32.37789 -169.2742      327.9157 0.000000       0.000000 -169.2742      327.9157 ?        ?        69.18839 32.37789 0.000000       32.37789 
1 1 1 -15 30 22 o 72.68182 22.94550 171.8290       109.3770 0.000000       0.000000 171.8290       109.3770 ?        ?        72.68182 22.94550 0.000000       22.94550 
1 1 1 -15 30 23 o 67.97049 22.44102 147.4472       103.8814 0.000000       0.000000 147.4472       103.8814 ?        ?        67.97049 22.44102 0.000000       22.44102 
1 1 1 -15 30 24 o 67.00909 23.10927 140.8933       110.1671 0.000000       0.000000 140.8933       110.1671 ?        ?        67.00909 23.10927 0.000000       23.10927 
1 1 1 -15 30 25 o 52.05310 21.45065 43.89719       105.7754 0.000000       0.000000 43.89719       105.7754 ?        ?        52.05310 21.45065 0.000000       21.45065 
1 1 1 -15 30 26 o 94.58045 20.80759 299.1123       112.2771 0.000000       0.000000 299.1123       112.2771 ?        ?        94.58045 20.80759 0.000000       20.80759 
1 1 1 -15 30 27 o 108.2920 18.51684 382.7547       113.3789 0.000000       0.000000 382.7547       113.3789 ?        ?        108.2920 18.51684 0.000000       18.51684 
1 1 1 -15 30 28 o 179.7751 12.38683 992.1744       129.8008 0.000000       0.000000 992.1744       129.8008 ?        ?        179.7751 12.38683 0.000000       12.38683 
1 1 1 -15 30 29 o 41.04269 19.13976 -76.79517      112.9646 0.000000       0.000000 -76.79517      112.9646 ?        ?        41.04269 19.13976 0.000000       19.13976 
1 1 1 -15 30 30 o 92.68234 26.55905 319.2045       151.7841 0.000000       0.000000 319.2045       151.7841 ?        ?        92.68234 26.55905 0.000000       26.55905 
1 1 1 -15 30 31 f 49.78548 21.77932 12.06407       120.8723 0.000000       0.000000 12.06407       120.8723 ?        ?        49.78548 21.77932 0.000000       21.77932 
1 1 1 -15 30 32 f 56.80242 23.41528 73.46486       126.0917 0.000000       0.000000 73.46486       126.0917 ?        ?        56.80242 23.41528 0.000000       23.41528 
1 1 1 -15 30 33 o 54.41038 23.30204 45.54262       132.5780 0.000000       0.000000 45.54262       132.5780 ?        ?        54.41038 23.30204 0.000000       23.30204 
1 1 1 -15 30 34 o 119.7151 21.60010 502.6669       146.0758 0.000000       0.000000 502.6669       146.0758 ?        ?        119.7151 21.60010 0.000000       21.60010 
1 1 1 -15 30 35 o 299.4570 11.00006 2757.730       192.8596 0.000000       0.000000 2757.730       192.8596 ?        ?        299.4570 11.00006 0.000000       11.00006 
1 1 1 -15 30 36 o 98.44685 24.76515 366.3137       142.8372 0.000000       0.000000 366.3137       142.8372 ?        ?        98.44685 24.76515 0.000000       24.76515 
1 1 1 -15 31 1  f 145.8622 19.96675 655.2433       166.3264 226.4044       378.7985 757.6714       185.1274 101.5818 41.06909 156.7820 20.63412 -55.20021      45.96125 
1 1 1 -15 31 2  o 133.2716 15.22384 537.3944       116.8584 926.5443       409.6576 502.9233       121.9243 162.8569 42.46101 128.5074 16.56222 34.34953       45.57680 
1 1 1 -15 31 3  o 129.5532 15.66270 509.1474       116.5920 889.4001       403.6696 474.5384       121.7824 159.4899 42.42171 124.6065 17.11634 34.88341       45.74463 
1 1 1 -15 31 4  o 305.2252 9.420636 2755.089       168.4344 3046.389       510.6005 2719.519       178.4217 310.8497 28.31847 303.0698 10.05207 7.779907       30.04962 
1 1 1 -15 31 5  o 306.0777 13.45713 2795.150       240.9749 3773.811       511.7714 2516.355       273.1505 348.5607 25.20522 289.2772 16.16471 59.28348       29.94330 
1 1 1 -15 31 6  o 237.3614 9.484699 1667.691       131.7677 2592.203       503.8015 1599.804       136.5198 284.6232 30.66464 232.3405 10.04262 52.28275       32.26724 
1 1 1 -15 31 7  o 36.28247 17.27820 -125.3004      101.2141 -173.9905      456.0256 -122.7776      103.8031 86.64444 39.70702 37.11361 17.62358 49.53083       43.44236 
1 1 1 -15 31 8  o 40.29012 18.73711 -90.04652      107.0878 0.000000       0.000000 -90.04652      107.0878 ?        ?        40.29012 18.73711 0.000000       18.73711 
1 1 1 -15 31 9  o 245.7972 9.189725 1788.077       132.2405 1684.102       448.4576 1797.979       138.3943 225.2608 35.08825 246.3757 9.596241 -21.11487      36.37683 
1 1 1 -15 31 10 o 137.9221 13.91841 573.7061       111.0447 0.000000       0.000000 573.7061       111.0447 ?        ?        137.9221 13.91841 0.000000       13.91841 
1 1 1 -15 31 11 o 179.8360 11.85263 965.8227       124.3122 0.000000       0.000000 965.8227       124.3122 ?        ?        179.8360 11.85263 0.000000       11.85263 
1 1 1 -15 31 12 o 266.5599 9.806758 2107.560       153.0488 0.000000       0.000000 2107.560       153.0488 ?        ?        266.5599 9.806758 0.000000       9.806758 
1 1 1 -15 31 13 o 131.7258 15.61161 529.2626       118.2640 0.000000       0.000000 529.2626       118.2640 ?        ?        131.7258 15.61161 0.000000       15.61161 
1 1 1 -15 31 14 o 220.2615 10.57141 1444.594       136.1608 0.000000       0.000000 1444.594       136.1608 ?        ?        220.2615 10.57141 0.000000       10.57141 
1 1 1 -15 31 15 o 40.96402 19.09448 -93.68037      112.2282 0.000000       0.000000 -93.68037      112.2282 ?        ?        40.96402 19.09448 0.000000       19.09448 
1 1 1 -15 31 16 o 328.9310 9.325920 3213.781       179.7249 0.000000       0.000000 3213.781       179.7249 ?        ?        328.9310 9.325920 0.000000       9.325920 
1 1 1 -15 31 17 o 84.56801 22.32858 233.5530       112.3572 0.000000       0.000000 233.5530       112.3572 ?        ?        84.56801 22.32858 0.000000       22.32858 
1 1 1 -15 31 18 o 125.2377 17.50477 490.8980       125.0635 0.000000       0.000000 490.8980       125.0635 ?        ?        125.2377 17.50477 0.000000       17.50477 
1 1 1 -15 31 19 o 42.85124 19.50541 -51.88110      107.6523 0.000000       0.000000 -51.88110      107.6523 ?        ?        42.85124 19.50541 0.000000       19.50541 
1 1 1 -15 31 20 o 184.0195 11.57135 1021.760       124.2493 0.000000       0.000000 1021.760       124.2493 ?        ?        184.0195 11.57135 0.000000       11.57135 
1 1 1 -15 31 21 o 150.5261 13.47911 693.4235       117.7354 0.000000       0.000000 693.4235       117.7354 ?        ?        150.5261 13.47911 0.000000       13.47911 
1 1 1 -15 31 22 o 78.67439 27.41903 204.3232       155.2736 0.000000       0.000000 204.3232       155.2736 ?        ?        78.67439 27.41903 0.000000       27.41903 
1 1 1 -15 31 23 o 84.27213 26.15473 245.2762       142.7341 0.000000       0.000000 245.2762       142.7341 ?        ?        84.27213 26.15473 0.000000       26.15473 
1 1 1 -15 31 24 o 105.7174 19.19779 364.5320       114.6451 0.000000       0.000000 364.5320       114.6451 ?        ?        105.7174 19.19779 0.000000       19.19779 
1 1 1 -15 31 25 o 59.51258 22.84182 95.75899       111.8728 0.000000       0.000000 95.75899       111.8728 ?        ?        59.51258 22.84182 0.000000       22.84182 
1 1 1 -15 31 26 o 81.02177 22.63956 226.7425       111.7145 0.000000       0.000000 226.7425       111.7145 ?        ?        81.02177 22.63956 0.000000       22.63956 
1 1 1 -15 31 27 o 190.6665 11.52819 1109.776       128.3075 0.000000       0.000000 1109.776       128.3075 ?        ?        190.6665 11.52819 0.000000       11.52819 
1 1 1 -15 31 28 o 161.7554 14.09019 817.7065       132.3350 0.000000       0.000000 817.7065       132.3350 ?        ?        161.7554 14.09019 0.000000       14.09019 
1 1 1 -15 31 29 o 81.23573 24.11144 237.0605       123.1702 0.000000       0.000000 237.0605       123.1702 ?        ?        81.23573 24.11144 0.000000       24.11144 
1 1 1 -15 31 30 o 55.70279 23.38930 58.27983       129.1917 0.000000       0.000000 58.27983       129.1917 ?        ?        55.70279 23.38930 0.000000       23.38930 
1 1 1 -15 31 31 o 66.47118 24.64563 147.9359       127.7129 0.000000       0.000000 147.9359       127.7129 ?        ?        66.47118 24.64563 0.000000       24.64563 
1 1 1 -15 31 32 o 61.82914 24.41618 113.4797       130.7390 0.000000       0.000000 113.4797       130.7390 ?        ?        61.82914 24.41618 0.000000       24.41618 
1 1 1 -15 31 33 o 63.58071 25.72646 120.4906       148.7779 0.000000       0.000000 120.4906       148.7779 ?        ?        63.58071 25.72646 0.000000       25.72646 
1 1 1 -15 31 34 o 168.1317 16.10583 918.9836       156.8726 0.000000       0.000000 918.9836       156.8726 ?        ?        168.1317 16.10583 0.000000       16.10583 
1 1 1 -15 31 35 o 121.0419 21.43461 517.4832       146.5923 0.000000       0.000000 517.4832       146.5923 ?        ?        121.0419 21.43461 0.000000       21.43461 
1 1 1 -15 32 1  f 199.7569 17.41151 1211.600       201.9442 1624.014       411.0202 1080.363       231.8595 223.0154 32.37001 186.8483 21.55304 36.16708       38.88895 
1 1 1 -15 32 2  o 293.1079 10.03474 2546.071       172.2436 2690.919       443.3722 2520.324       186.9257 292.7407 26.09804 291.3251 10.96013 1.415588       28.30604 
1 1 1 -15 32 3  o 302.2202 24.61667 2847.868       432.5425 2847.868       432.5425 0.000000       0.000000 302.2202 24.61667 ?        ?        0.000000       24.61667 
1 1 1 -15 32 4  o 253.4604 9.860961 1904.273       146.3021 2472.779       421.6280 1826.453       155.9944 280.4837 25.92459 247.9675 10.75220 32.51625       28.06589 
1 1 1 -15 32 5  o 149.0915 13.96833 669.7384       120.7149 1790.266       458.5168 586.2877       125.1293 232.0650 34.75792 138.9330 15.62759 93.13194       38.10950 
1 1 1 -15 32 6  o 168.5989 16.75886 864.6200       163.5188 1666.901       483.8800 761.1892       173.7399 220.4133 38.85167 157.1900 19.24733 63.22328       43.35795 
1 1 1 -15 32 7  o 248.4831 11.79097 1840.354       171.3390 3070.108       502.8979 1678.859       182.2424 310.4251 27.92112 236.8268 13.17294 73.59827       30.87257 
1 1 1 -15 32 8  o 95.72967 20.31749 290.0186       110.5353 355.9881       481.0022 286.3405       113.5749 113.8286 46.18501 94.93288 20.96046 18.89574       50.71879 
1 1 1 -15 32 9  o 98.54368 19.32414 305.5255       107.6882 470.4940       447.0915 295.3654       110.9549 119.7102 45.73392 96.58294 20.23704 23.12725       50.01129 
1 1 1 -15 32 10 o 47.45374 20.42833 -0.5850763     102.8891 -237.2506      456.3456 12.08980       105.6083 82.51387 38.47594 49.48783 20.98193 33.02604       43.82510 
1 1 1 -15 32 11 o 45.08134 19.86829 -20.84578      102.3002 0.000000       0.000000 -20.84578      102.3002 ?        ?        45.08134 19.86829 0.000000       19.86829 
1 1 1 -15 32 12 o 109.4168 17.47897 372.6504       108.3908 0.000000       0.000000 372.6504       108.3908 ?        ?        109.4168 17.47897 0.000000       17.47897 
1 1 1 -15 32 13 o 46.98151 20.32869 -2.787109      102.9130 0.000000       0.000000 -2.787109      102.9130 ?        ?        46.98151 20.32869 0.000000       20.32869 
1 1 1 -15 32 14 o 75.05303 22.72560 180.7052       108.6026 0.000000       0.000000 180.7052       108.6026 ?        ?        75.05303 22.72560 0.000000       22.72560 
1 1 1 -15 32 15 o 166.6593 12.27444 837.9041       119.1308 0.000000       0.000000 837.9041       119.1308 ?        ?        166.6593 12.27444 0.000000       12.27444 
1 1 1 -15 32 16 o 91.05856 21.08402 270.4873       110.3749 0.000000       0.000000 270.4873       110.3749 ?        ?        91.05856 21.08402 0.000000       21.08402 
1 1 1 -15 32 17 o 152.7364 13.73890 712.2907       121.7542 0.000000       0.000000 712.2907       121.7542 ?        ?        152.7364 13.73890 0.000000       13.73890 
1 1 1 -15 32 18 o 98.70275 20.36900 317.2437       113.9977 0.000000       0.000000 317.2437       113.9977 ?        ?        98.70275 20.36900 0.000000       20.36900 
1 1 1 -15 32 19 o 61.33062 22.59533 105.6398       107.0486 0.000000       0.000000 105.6398       107.0486 ?        ?        61.33062 22.59533 0.000000       22.59533 
1 1 1 -15 32 20 o 61.03034 22.61740 104.3250       107.5337 0.000000       0.000000 104.3250       107.5337 ?        ?        61.03034 22.61740 0.000000       22.61740 
1 1 1 -15 32 21 o 40.28269 18.68382 -72.68127      105.3945 0.000000       0.000000 -72.68127      105.3945 ?        ?        40.28269 18.68382 0.000000       18.68382 
1 1 1 -15 32 22 o 41.38372 19.03564 -59.82845      106.1455 0.000000       0.000000 -59.82845      106.1455 ?        ?        41.38372 19.03564 0.000000       19.03564 
1 1 1 -15 32 23 o 44.92155 20.07607 -23.21721      108.1527 0.000000       0.000000 -23.21721      108.1527 ?        ?        44.92155 20.07607 0.000000       20.07607 
1 1 1 -15 32 24 f 48.20715 20.64377 17.88560       104.0395 0.000000       0.000000 17.88560       104.0395 ?        ?        48.20715 20.64377 0.000000       20.64377 
1 1 1 -15 32 25 o 67.76189 23.63212 150.6382       115.3560 0.000000       0.000000 150.6382       115.3560 ?        ?        67.76189 23.63212 0.000000       23.63212 
1 1 1 -15 32 26 o 105.6613 28.54474 419.6434       181.0313 0.000000       0.000000 419.6434       181.0313 ?        ?        105.6613 28.54474 0.000000       28.54474 
1 1 1 -15 32 27 f 72.51753 23.35933 182.9796       112.9045 0.000000       0.000000 182.9796       112.9045 ?        ?        72.51753 23.35933 0.000000       23.35933 
1 1 1 -15 32 28 o 96.58376 22.09086 326.0313       122.4071 0.000000       0.000000 326.0313       122.4071 ?        ?        96.58376 22.09086 0.000000       22.09086 
1 1 1 -15 32 29 o 105.8622 21.59555 389.5253       129.5305 0.000000       0.000000 389.5253       129.5305 ?        ?        105.8622 21.59555 0.000000       21.59555 
1 1 1 -15 32 30 o 73.10271 25.32544 193.1431       132.3700 0.000000       0.000000 193.1431       132.3700 ?        ?        73.10271 25.32544 0.000000       25.32544 
1 1 1 -15 32 31 o 69.08443 24.88642 168.3943       128.8222 0.000000       0.000000 168.3943       128.8222 ?        ?        69.08443 24.88642 0.000000       24.88642 
1 1 1 -15 32 32 o 112.5750 22.59941 453.2014       144.0174 0.000000       0.000000 453.2014       144.0174 ?        ?        112.5750 22.59941 0.000000       22.59941 
1 1 1 -15 32 33 o 65.43050 25.81184 139.7766       145.9775 0.000000       0.000000 139.7766       145.9775 ?        ?        65.43050 25.81184 0.000000       25.81184 
1 1 1 -15 32 34 o 100.1211 25.45923 384.1588       149.8072 0.000000       0.000000 384.1588       149.8072 ?        ?        100.1211 25.45923 0.000000       25.45923 
1 1 1 -15 33 1  o 238.5773 11.66651 1698.009       162.7428 0.000000       0.000000 1698.009       162.7428 ?        ?        238.5773 11.66651 0.000000       11.66651 
1 1 1 -15 33 2  o 342.7103 22.21811 3645.243       444.1581 3645.243       444.1581 0.000000       0.000000 342.7103 22.21811 ?        ?        0.000000       22.21811 
1 1 1 -15 33 3  o 183.7040 16.99984 1029.398       181.0758 249.6805       378.7152 1260.475       206.1691 100.7714 40.94651 203.2107 17.46857 -102.4393      44.51705 
1 1 1 -15 33 4  o 153.6130 43.38828 870.9878       408.0057 870.9878       408.0057 0.000000       0.000000 153.6130 43.38828 ?        ?        0.000000       43.38828 
1 1 1 -15 33 5  o 61.20000 23.32195 88.42328       116.0772 429.0364       404.5803 57.87035       121.1715 114.6693 43.57788 57.90435 23.29245 56.76499       49.41225 
1 1 1 -15 33 6  o 95.87519 20.84981 293.2713       113.8884 96.01710       430.9875 308.0792       118.0858 94.57178 41.25356 98.22856 21.12575 -3.656776      46.34818 
1 1 1 -15 33 7  o 42.88015 19.50128 -55.93500      107.3084 -661.2410      468.3488 -22.39810      110.2410 70.38175 34.38532 46.67303 20.59510 23.70872       40.08127 
1 1 1 -15 33 8  o 109.4186 17.88066 373.7243       110.7835 696.3836       439.8862 351.8733       114.4732 134.6954 46.18772 105.6430 19.18249 29.05231       50.01273 
1 1 1 -15 33 9  o 226.8236 9.970272 1531.749       132.3072 990.3235       449.9838 1582.985       138.4260 159.0101 45.78101 230.4891 10.26616 -71.47900      46.91796 
1 1 1 -15 33 10 o 41.20007 18.87182 -61.32869      102.8432 -684.7368      430.2679 -23.55455      105.9132 65.27937 32.10923 45.41668 20.10690 19.86268       37.88522 
1 1 1 -15 33 11 o 79.42620 21.93441 204.7061       105.5400 323.6743       407.5988 196.1567       109.2665 103.9594 42.39052 77.82742 22.60537 26.13193       48.04122 
1 1 1 -15 33 12 o 64.69035 22.50890 123.8148       104.6187 -610.3713      414.0330 173.8883       108.1275 64.87424 31.82683 73.62505 22.74992 -8.750816      39.12168 
1 1 1 -15 33 13 o 116.5110 16.85017 424.1012       111.7990 0.000000       0.000000 424.1012       111.7990 ?        ?        116.5110 16.85017 0.000000       16.85017 
1 1 1 -15 33 14 o 86.51151 21.81302 246.3710       110.6303 0.000000       0.000000 246.3710       110.6303 ?        ?        86.51151 21.81302 0.000000       21.81302 
1 1 1 -15 33 15 o 200.8809 11.07139 1213.390       129.9298 0.000000       0.000000 1213.390       129.9298 ?        ?        200.8809 11.07139 0.000000       11.07139 
1 1 1 -15 33 16 f 92.05435 20.86898 278.3364       110.0586 0.000000       0.000000 278.3364       110.0586 ?        ?        92.05435 20.86898 0.000000       20.86898 
1 1 1 -15 33 17 o 67.95248 22.87959 146.0099       107.8849 0.000000       0.000000 146.0099       107.8849 ?        ?        67.95248 22.87959 0.000000       22.87959 
1 1 1 -15 33 18 o 61.71564 22.61731 109.1223       107.0282 0.000000       0.000000 109.1223       107.0282 ?        ?        61.71564 22.61731 0.000000       22.61731 
1 1 1 -15 33 19 o 65.30905 23.25016 130.0305       112.0869 0.000000       0.000000 130.0305       112.0869 ?        ?        65.30905 23.25016 0.000000       23.25016 
1 1 1 -15 33 20 o 169.2593 13.09139 877.9105       128.9443 0.000000       0.000000 877.9105       128.9443 ?        ?        169.2593 13.09139 0.000000       13.09139 
1 1 1 -15 33 21 o 68.51029 23.93612 150.8867       118.3733 0.000000       0.000000 150.8867       118.3733 ?        ?        68.51029 23.93612 0.000000       23.93612 
1 1 1 -15 33 22 o 73.35897 23.86089 182.8024       117.6329 0.000000       0.000000 182.8024       117.6329 ?        ?        73.35897 23.86089 0.000000       23.86089 
1 1 1 -15 33 23 o 42.37789 19.32752 -44.74250      106.3531 0.000000       0.000000 -44.74250      106.3531 ?        ?        42.37789 19.32752 0.000000       19.32752 
1 1 1 -15 33 24 o 73.86939 23.61102 188.5009       115.5111 0.000000       0.000000 188.5009       115.5111 ?        ?        73.86939 23.61102 0.000000       23.61102 
1 1 1 -15 33 25 f 42.47887 19.50231 -51.86419      110.6859 0.000000       0.000000 -51.86419      110.6859 ?        ?        42.47887 19.50231 0.000000       19.50231 
1 1 1 -15 33 26 o 47.47826 21.06260 -6.520510      116.8070 0.000000       0.000000 -6.520510      116.8070 ?        ?        47.47826 21.06260 0.000000       21.06260 
1 1 1 -15 33 27 o 56.17178 23.34180 64.64899       126.6905 0.000000       0.000000 64.64899       126.6905 ?        ?        56.17178 23.34180 0.000000       23.34180 
1 1 1 -15 33 28 o 78.91728 33.18686 220.0000       260.7078 0.000000       0.000000 220.0000       260.7078 ?        ?        78.91728 33.18686 0.000000       33.18686 
1 1 1 -15 33 29 o 89.72067 25.08155 299.8636       137.0812 0.000000       0.000000 299.8636       137.0812 ?        ?        89.72067 25.08155 0.000000       25.08155 
1 1 1 -15 33 30 o 47.68996 21.88826 -41.99020      139.2842 0.000000       0.000000 -41.99020      139.2842 ?        ?        47.68996 21.88826 0.000000       21.88826 
1 1 1 -15 33 31 o 39.22768 19.10730 -191.8849      141.5564 0.000000       0.000000 -191.8849      141.5564 ?        ?        39.22768 19.10730 0.000000       19.10730 
1 1 1 -15 33 32 o 50.37341 22.90230 -19.57248      147.8645 0.000000       0.000000 -19.57248      147.8645 ?        ?        50.37341 22.90230 0.000000       22.90230 
1 1 1 -15 34 1  o 88.49268 24.43215 256.8047       130.9631 0.000000       0.000000 256.8047       130.9631 ?        ?        88.49268 24.43215 0.000000       24.43215 
1 1 1 -15 34 2  o 188.8352 16.76311 1094.010       183.7200 682.2415       395.7847 1207.104       207.4210 133.1966 43.79486 197.7208 18.08766 -64.52420      47.38305 
1 1 1 -15 34 3  o 93.67076 22.83158 286.1927       124.2682 377.3818       387.1622 275.7192       131.2107 107.7247 42.17469 91.61327 24.10118 16.11144       48.57542 
1 1 1 -15 34 4  o 47.55760 20.75997 -9.699925      109.3089 51.70971       379.4849 -15.25609      114.1468 86.45343 38.17721 48.01652 21.08056 38.43691       43.61065 
1 1 1 -15 34 5  f 93.20132 20.72036 279.9502       110.3255 242.3877       379.8350 283.4111       115.2962 97.56516 40.46865 93.53677 21.47235 4.028381       45.81237 
1 1 1 -15 34 6  f 101.7761 19.47939 329.9557       112.0372 -41.95654      390.8054 363.2592       116.9459 82.37474 37.36539 106.9586 19.35549 -24.58382      42.08096 
1 1 1 -15 34 7  o 35.20798 16.95091 -145.1357      103.4270 -52.96337      388.3950 -152.1707      107.3014 81.37924 37.04541 35.73473 17.21991 45.64451       40.85202 
1 1 1 -15 34 8  o 65.96793 22.59044 131.2678       105.2205 -527.8669      389.6754 183.1057       109.2798 64.42978 31.45299 75.26996 22.79741 -10.84018      38.84601 
1 1 1 -15 34 9  o 110.4284 18.26775 385.5049       114.1757 389.2915       410.5316 385.1875       118.8652 106.8982 42.91753 110.0224 19.11469 -3.124245      46.98176 
1 1 1 -15 34 10 o 191.9263 10.95571 1105.776       122.8054 779.9556       400.9454 1139.507       129.0057 137.8757 43.98046 194.6773 11.34828 -56.80157      45.42097 
1 1 1 -15 34 11 o 53.63396 21.73693 50.51107       106.4084 -808.7936      390.2129 119.5437       110.6000 57.34289 28.60980 64.20077 23.06780 -6.857880      36.75111 
1 1 1 -15 34 12 o 172.1858 12.22885 897.4357       122.6869 0.000000       0.000000 897.4357       122.6869 ?        ?        172.1858 12.22885 0.000000       12.22885 
1 1 1 -15 34 13 o 95.06523 19.43217 292.6163       104.6801 1073.523       421.2719 241.2259       108.0697 160.8930 43.57770 85.39637 21.57418 75.49660       48.62573 
1 1 1 -15 34 14 o 90.66148 20.68216 270.3092       107.5287 0.000000       0.000000 270.3092       107.5287 ?        ?        90.66148 20.68216 0.000000       20.68216 
1 1 1 -15 34 15 o 129.8600 15.61391 525.4896       116.5326 0.000000       0.000000 525.4896       116.5326 ?        ?        129.8600 15.61391 0.000000       15.61391 
1 1 1 -15 34 16 o 92.06444 20.78264 280.2024       109.5445 0.000000       0.000000 280.2024       109.5445 ?        ?        92.06444 20.78264 0.000000       20.78264 
1 1 1 -15 34 17 o 71.54274 22.85260 168.5804       108.2230 0.000000       0.000000 168.5804       108.2230 ?        ?        71.54274 22.85260 0.000000       22.85260 
1 1 1 -15 34 18 o 151.2947 13.65402 705.2590       119.8507 0.000000       0.000000 705.2590       119.8507 ?        ?        151.2947 13.65402 0.000000       13.65402 
1 1 1 -15 34 19 o 59.57680 22.57880 97.76300       108.4305 0.000000       0.000000 97.76300       108.4305 ?        ?        59.57680 22.57880 0.000000       22.57880 
1 1 1 -15 34 20 f 39.99535 18.79589 -93.68508      112.5214 0.000000       0.000000 -93.68508      112.5214 ?        ?        39.99535 18.79589 0.000000       18.79589 
1 1 1 -15 34 21 o 61.00765 23.71425 100.8234       121.7026 0.000000       0.000000 100.8234       121.7026 ?        ?        61.00765 23.71425 0.000000       23.71425 
1 1 1 -15 34 22 f 131.8716 16.40337 554.8604       124.1284 0.000000       0.000000 554.8604       124.1284 ?        ?        131.8716 16.40337 0.000000       16.40337 
1 1 1 -15 34 23 o 76.14064 24.30946 203.6277       122.4729 0.000000       0.000000 203.6277       122.4729 ?        ?        76.14064 24.30946 0.000000       24.30946 
1 1 1 -15 34 24 o 64.34677 23.42544 132.8902       114.5310 0.000000       0.000000 132.8902       114.5310 ?        ?        64.34677 23.42544 0.000000       23.42544 
1 1 1 -15 34 25 o 139.7710 16.23307 627.8525       130.5940 0.000000       0.000000 627.8525       130.5940 ?        ?        139.7710 16.23307 0.000000       16.23307 
1 1 1 -15 34 26 o 115.5568 20.60755 455.9442       134.5372 0.000000       0.000000 455.9442       134.5372 ?        ?        115.5568 20.60755 0.000000       20.60755 
1 1 1 -15 34 27 o 100.5201 23.69738 364.8349       137.4080 0.000000       0.000000 364.8349       137.4080 ?        ?        100.5201 23.69738 0.000000       23.69738 
1 1 1 -15 34 28 f 65.86013 25.85780 137.9977       145.8864 0.000000       0.000000 137.9977       145.8864 ?        ?        65.86013 25.85780 0.000000       25.85780 
1 1 1 -15 34 29 o 102.0589 26.12598 397.2101       157.0250 0.000000       0.000000 397.2101       157.0250 ?        ?        102.0589 26.12598 0.000000       26.12598 
1 1 1 -15 34 30 o 60.53511 25.98501 77.60976       165.5724 0.000000       0.000000 77.60976       165.5724 ?        ?        60.53511 25.98501 0.000000       25.98501 
1 1 1 -15 34 31 o 69.40556 29.82325 143.2125       218.5186 0.000000       0.000000 143.2125       218.5186 ?        ?        69.40556 29.82325 0.000000       29.82325 
1 1 1 -15 35 1  o 106.4592 21.10929 367.2935       127.1404 502.8817       360.5428 348.0384       135.8685 114.8055 41.59636 102.6865 23.11944 12.11901       47.58955 
1 1 1 -15 35 2  o 132.8589 16.86877 549.7377       128.4801 687.6992       360.4003 529.6520       137.5150 131.7912 41.65697 129.5675 18.63198 2.223633       45.63391 
1 1 1 -15 35 3  o 199.2740 16.53785 1225.807       191.5378 1700.509       422.0360 1102.668       214.9497 219.1479 33.93269 186.8575 19.92127 32.29041       39.34824 
1 1 1 -15 35 4  o 112.4296 20.15044 406.0675       127.9861 1203.459       424.9756 326.5320       134.2174 175.3288 41.90160 99.16692 23.44888 76.16186       48.01661 
1 1 1 -15 35 5  o 130.9959 16.39936 533.7449       123.2366 149.6517       411.8220 571.5231       129.1551 91.66766 40.14854 135.5198 16.59616 -43.85210      43.44350 
1 1 1 -15 35 6  o 106.8524 19.66396 366.8496       118.6876 363.2340       398.8840 367.2008       124.3184 103.6184 42.05236 106.4527 20.65791 -2.834297      46.85244 
1 1 1 -15 35 7  o 136.8020 14.65845 575.8424       115.7748 583.5860       386.9517 575.0811       121.3329 119.9585 43.14193 136.3659 15.44278 -16.40741      45.82255 
1 1 1 -15 35 8  o 43.95768 19.71974 -33.32951      105.4187 591.2704       388.3801 -83.00710      109.5308 120.1357 43.21949 40.68579 18.93076 79.44997       47.18367 
1 1 1 -15 35 9  o 98.65208 19.83839 315.6003       110.7967 398.5482       376.8380 307.7513       115.9203 104.5028 41.39441 96.87735 21.00887 7.625496       46.42058 
1 1 1 -15 35 10 o 51.47461 21.10148 41.88649       101.6681 -326.1339      376.2165 70.87992       105.5970 67.68572 32.52093 56.04866 22.00124 11.63707       39.26405 
1 1 1 -15 35 11 o 74.45497 22.87719 182.8099       109.5265 -193.5408      398.2032 213.6125       113.9205 73.98687 34.95033 79.94424 23.04053 -5.957375      41.86158 
1 1 1 -15 35 12 o 70.59264 23.16063 161.1826       110.7153 449.8265       423.8214 140.0424       114.6981 107.1022 43.39050 67.29477 23.55807 39.80742       49.37325 
1 1 1 -15 35 13 o 105.5967 20.33140 364.6440       121.3440 0.000000       0.000000 364.6440       121.3440 ?        ?        105.5967 20.33140 0.000000       20.33140 
1 1 1 -15 35 14 o 87.70542 22.38028 259.1296       115.4815 38.21816       418.1904 277.3662       120.1536 83.65019 38.21750 90.64164 22.66432 -6.991447      44.43252 
1 1 1 -15 35 15 o 72.94189 22.95574 177.1233       109.5552 0.000000       0.000000 177.1233       109.5552 ?        ?        72.94189 22.95574 0.000000       22.95574 
1 1 1 -15 35 16 o 85.07361 22.58348 246.4730       114.5439 0.000000       0.000000 246.4730       114.5439 ?        ?        85.07361 22.58348 0.000000       22.58348 
1 1 1 -15 35 17 o 123.2784 16.48087 482.6015       116.1740 0.000000       0.000000 482.6015       116.1740 ?        ?        123.2784 16.48087 0.000000       16.48087 
1 1 1 -15 35 18 o 38.12020 18.09748 -110.5807      109.3393 0.000000       0.000000 -110.5807      109.3393 ?        ?        38.12020 18.09748 0.000000       18.09748 
1 1 1 -15 35 19 o 35.88617 17.37933 -159.4180      112.7064 0.000000       0.000000 -159.4180      112.7064 ?        ?        35.88617 17.37933 0.000000       17.37933 
1 1 1 -15 35 20 o 131.5161 16.82829 554.1617       126.8284 0.000000       0.000000 554.1617       126.8284 ?        ?        131.5161 16.82829 0.000000       16.82829 
1 1 1 -15 35 21 o 102.4741 20.92469 356.1678       121.4971 0.000000       0.000000 356.1678       121.4971 ?        ?        102.4741 20.92469 0.000000       20.92469 
1 1 1 -15 35 22 o 89.75378 23.21172 284.9120       123.0871 0.000000       0.000000 284.9120       123.0871 ?        ?        89.75378 23.21172 0.000000       23.21172 
1 1 1 -15 35 23 o 37.88881 18.21275 -139.5688      118.3048 0.000000       0.000000 -139.5688      118.3048 ?        ?        37.88881 18.21275 0.000000       18.21275 
1 1 1 -15 35 24 o 53.78849 22.76803 46.89986       124.0133 0.000000       0.000000 46.89986       124.0133 ?        ?        53.78849 22.76803 0.000000       22.76803 
1 1 1 -15 35 25 o 63.48838 24.53269 124.7270       129.6664 0.000000       0.000000 124.7270       129.6664 ?        ?        63.48838 24.53269 0.000000       24.53269 
1 1 1 -15 35 26 o 116.9451 21.62650 475.9944       142.8645 0.000000       0.000000 475.9944       142.8645 ?        ?        116.9451 21.62650 0.000000       21.62650 
1 1 1 -15 35 27 o 49.41340 22.37541 -19.75331      139.4126 0.000000       0.000000 -19.75331      139.4126 ?        ?        49.41340 22.37541 0.000000       22.37541 
1 1 1 -15 35 28 o 54.67441 23.84802 37.12479       144.0053 0.000000       0.000000 37.12479       144.0053 ?        ?        54.67441 23.84802 0.000000       23.84802 
1 1 1 -15 35 29 o 59.27784 25.57653 67.57491       161.9930 0.000000       0.000000 67.57491       161.9930 ?        ?        59.27784 25.57653 0.000000       25.57653 
1 1 1 -15 35 30 o 55.00476 24.82163 7.699110       169.8287 0.000000       0.000000 7.699110       169.8287 ?        ?        55.00476 24.82163 0.000000       24.82163 
1 1 1 -15 36 1  o 198.7472 12.63673 1198.147       146.5316 1579.729       389.7269 1135.323       158.1347 210.5759 32.61078 192.6700 14.09212 17.90584       35.52536 
1 1 1 -15 36 2  o 67.26880 25.37710 125.7315       136.6080 0.000000       0.000000 125.7315       136.6080 ?        ?        67.26880 25.37710 0.000000       25.37710 
1 1 1 -15 36 3  o 155.9268 19.38906 773.8391       173.4887 348.5392       373.2426 891.0502       195.9422 100.5079 40.71909 166.7290 20.46744 -66.22105      45.57368 
1 1 1 -15 36 4  o 52.26813 22.07043 27.41285       116.0623 276.2194       377.1361 1.383724       121.9824 95.63184 40.04592 50.59116 22.00955 45.04068       45.69569 
1 1 1 -15 36 5  o 158.8217 14.88319 777.9318       137.0148 84.37997       424.3489 858.6520       144.7687 87.47955 39.37743 166.8802 14.94996 -79.40063      42.11987 
1 1 1 -15 36 6  o 50.12390 21.75529 3.586059       118.6025 136.1665       415.2242 -8.191750      123.7585 89.24707 39.64537 49.93428 21.93545 39.31279       45.30915 
1 1 1 -15 36 7  o 156.1724 13.84112 748.1951       125.4614 1226.453       413.1823 699.6204       131.6786 174.5478 41.05483 150.3357 15.14093 24.21207       43.75782 
1 1 1 -15 36 8  o 61.49182 23.06175 103.6621       112.4558 -332.8491      392.1396 142.7776       117.3863 68.53403 32.99843 67.89577 23.82774 0.6382523      40.70206 
1 1 1 -15 36 9  o 205.1127 10.88375 1267.770       130.4561 1049.963       406.2344 1292.814       137.7523 157.7156 42.82485 206.8666 11.39829 -49.15103      44.31579 
1 1 1 -15 36 10 o 58.69568 22.64512 87.05753       110.3545 -40.61033      392.4107 98.02132       114.9954 78.69403 36.34214 60.80732 23.20316 17.88671       43.11772 
1 1 1 -15 36 11 o 111.5032 18.20177 399.1941       114.9261 -275.9866      390.1165 463.3588       120.2631 69.48323 33.31412 120.6607 17.50533 -51.17751      37.63332 
1 1 1 -15 36 12 o 137.1701 15.29443 587.3677       120.9484 111.8549       401.1153 634.9256       126.8526 85.22860 38.33103 142.6033 15.41227 -57.37472      41.31351 
1 1 1 -15 36 13 o 157.8559 13.19464 765.7075       121.0380 974.8013       395.6815 744.1220       127.1321 148.0966 43.01758 155.0854 14.13274 -6.988861      45.27965 
1 1 1 -15 36 14 o 87.90812 22.54851 264.3214       116.8051 -184.7941      401.3077 305.8906       122.0911 72.23354 34.40029 94.78835 22.33186 -22.55482      41.01331 
1 1 1 -15 36 15 o 119.2830 18.19939 460.5229       123.2915 -374.3609      415.4165 541.1665       129.1088 67.21041 32.73621 129.9755 17.37187 -62.76513      37.05996 
1 1 1 -15 36 16 o 150.6511 13.76514 704.0736       120.2772 364.5396       436.6562 731.9502       125.1174 96.45480 41.80443 153.4466 14.05913 -56.99180      44.10521 
1 1 1 -15 36 17 o 86.73512 23.16673 261.9715       120.0733 0.000000       0.000000 261.9715       120.0733 ?        ?        86.73512 23.16673 0.000000       23.16673 
1 1 1 -15 36 18 o 60.73235 23.66247 100.7353       121.3948 0.000000       0.000000 100.7353       121.3948 ?        ?        60.73235 23.66247 0.000000       23.66247 
1 1 1 -15 36 19 o 42.31414 19.54044 -61.38344      113.4268 0.000000       0.000000 -61.38344      113.4268 ?        ?        42.31414 19.54044 0.000000       19.54044 
1 1 1 -15 36 20 f 38.95081 18.63582 -131.3623      120.6727 0.000000       0.000000 -131.3623      120.6727 ?        ?        38.95081 18.63582 0.000000       18.63582 
1 1 1 -15 36 21 o 90.86945 23.34109 294.1552       125.0394 0.000000       0.000000 294.1552       125.0394 ?        ?        90.86945 23.34109 0.000000       23.34109 
1 1 1 -15 36 22 o 63.56322 24.16447 125.9121       124.4288 0.000000       0.000000 125.9121       124.4288 ?        ?        63.56322 24.16447 0.000000       24.16447 
1 1 1 -15 36 23 o 61.41663 24.09441 110.3013       126.5829 0.000000       0.000000 110.3013       126.5829 ?        ?        61.41663 24.09441 0.000000       24.09441 
1 1 1 -15 36 24 o 73.87199 25.15686 198.1647       130.4509 0.000000       0.000000 198.1647       130.4509 ?        ?        73.87199 25.15686 0.000000       25.15686 
1 1 1 -15 36 25 o 64.93689 25.02700 136.4162       134.6899 0.000000       0.000000 136.4162       134.6899 ?        ?        64.93689 25.02700 0.000000       25.02700 
1 1 1 -15 36 26 o 113.2471 22.85491 459.6809       146.5557 0.000000       0.000000 459.6809       146.5557 ?        ?        113.2471 22.85491 0.000000       22.85491 
1 1 1 -15 36 27 o 90.97830 26.77439 323.4976       152.4105 0.000000       0.000000 323.4976       152.4105 ?        ?        90.97830 26.77439 0.000000       26.77439 
1 1 1 -15 36 28 o 61.60754 25.46154 104.4547       149.6091 0.000000       0.000000 104.4547       149.6091 ?        ?        61.60754 25.46154 0.000000       25.46154 
1 1 1 -15 37 1  o 97.38847 23.91640 322.6402       135.5874 0.000000       0.000000 322.6402       135.5874 ?        ?        97.38847 23.91640 0.000000       23.91640 
1 1 1 -15 37 2  o 87.82941 29.97500 269.5639       185.2214 402.3377       357.7371 220.9344       216.4999 102.5261 40.41908 83.09650 31.80550 19.42958       51.43240 
1 1 1 -15 37 3  o 71.12544 24.79785 161.1529       127.0120 -396.6699      360.2659 240.3265       135.7267 63.20494 30.71718 83.75353 25.41504 -20.54859      39.86815 
1 1 1 -15 37 4  o 190.2959 12.44527 1101.903       138.1320 1357.189       367.3735 1059.870       149.0708 191.3785 33.97581 185.8631 13.77356 5.515427       36.66152 
1 1 1 -15 37 5  o 90.17996 23.22755 276.2927       123.5943 1040.880       385.0846 188.4865       130.4983 158.2201 41.12602 75.35832 25.16086 82.86179       48.21222 
1 1 1 -15 37 6  o 126.1089 18.25942 508.9915       131.1213 327.1554       391.8668 531.9170       139.1418 97.06424 40.74458 128.5131 19.03601 -31.44888      44.97211 
1 1 1 -15 37 7  o 110.9129 19.87590 401.9888       124.5395 491.2560       407.2202 392.7781       130.8069 107.6769 42.90757 108.8376 21.25559 -1.160721      47.88382 
1 1 1 -15 37 8  o 66.64570 23.60111 138.7653       115.3604 575.3995       414.8756 102.1769       120.0966 113.0245 43.82571 61.65710 23.66609 51.36743       49.80740 
1 1 1 -15 37 9  f 46.52639 20.74370 -21.21381      114.7438 -451.3285      433.0946 11.25632       118.9961 67.44027 32.97342 50.49904 21.85511 16.94123       39.55872 
1 1 1 -15 37 10 o 80.42932 23.88816 222.7945       120.8671 275.1126       419.2343 218.0516       126.2269 92.98425 40.62166 79.50475 24.58266 13.47950       47.48080 
1 1 1 -15 37 11 o 69.14588 23.86677 156.3066       117.5171 -356.0486      396.3054 205.7019       123.0516 66.32003 32.22785 77.31985 24.32801 -10.99982      40.37928 
1 1 1 -15 37 12 o 104.4876 19.95679 361.9030       117.8359 745.0070       390.8821 323.6065       123.5853 124.7199 43.50129 97.42898 22.13392 27.29097       48.80853 
1 1 1 -15 37 13 o 46.33582 20.55586 -13.01578      111.2550 -29.16480      386.0990 -11.55349      116.1829 76.01610 35.42766 47.42026 21.02319 28.59584       41.19580 
1 1 1 -15 37 14 o 125.8819 16.92866 507.5901       121.8136 -84.36848      416.4001 562.9908       127.3864 75.61889 35.72691 132.7836 16.72837 -57.16476      39.44934 
1 1 1 -15 37 15 o 55.23540 22.53767 63.29686       115.3083 385.8886       440.9362 39.61654       119.4656 96.37012 41.88647 53.06185 22.39791 43.30828       47.49887 
1 1 1 -15 37 16 o 46.56495 20.96761 -27.04123      120.4341 0.000000       0.000000 -27.04123      120.4341 ?        ?        46.56495 20.96761 0.000000       20.96761 
1 1 1 -15 37 17 o 109.5001 20.35898 403.6454       125.9327 276.2100       469.3608 413.5309       130.7259 90.05459 40.88848 110.4593 20.94569 -20.40468      45.94115 
1 1 1 -15 37 18 o 88.66444 24.55462 283.7680       132.0543 0.000000       0.000000 283.7680       132.0543 ?        ?        88.66444 24.55462 0.000000       24.55462 
1 1 1 -15 37 19 o 81.99583 24.98634 244.7452       131.0006 0.000000       0.000000 244.7452       131.0006 ?        ?        81.99583 24.98634 0.000000       24.98634 
1 1 1 -15 37 20 o 63.22600 24.71388 119.0604       132.7696 0.000000       0.000000 119.0604       132.7696 ?        ?        63.22600 24.71388 0.000000       24.71388 
1 1 1 -15 37 21 o 119.4234 20.78386 488.2954       140.2835 0.000000       0.000000 488.2954       140.2835 ?        ?        119.4234 20.78386 0.000000       20.78386 
1 1 1 -15 37 22 o 66.54229 25.35396 145.4433       137.1728 0.000000       0.000000 145.4433       137.1728 ?        ?        66.54229 25.35396 0.000000       25.35396 
1 1 1 -15 37 23 f 96.22250 24.68898 342.8602       140.0032 0.000000       0.000000 342.8602       140.0032 ?        ?        96.22250 24.68898 0.000000       24.68898 
1 1 1 -15 37 24 o 62.40531 25.34182 111.5561       144.9595 0.000000       0.000000 111.5561       144.9595 ?        ?        62.40531 25.34182 0.000000       25.34182 
1 1 1 -15 37 25 o 48.77288 22.60930 -57.04914      154.0137 0.000000       0.000000 -57.04914      154.0137 ?        ?        48.77288 22.60930 0.000000       22.60930 
1 1 1 -15 37 26 o 51.76207 23.37447 -7.258473      150.9062 0.000000       0.000000 -7.258473      150.9062 ?        ?        51.76207 23.37447 0.000000       23.37447 
1 1 1 -15 37 27 o 98.03111 25.88349 371.6235       150.9809 0.000000       0.000000 371.6235       150.9809 ?        ?        98.03111 25.88349 0.000000       25.88349 
1 1 1 -15 38 1  o 66.62421 25.27665 129.6088       135.9774 132.5796       316.8272 128.9381       150.5479 80.53108 35.24433 67.75182 26.36415 12.77926       44.01399 
1 1 1 -15 38 2  o 97.42639 27.13901 340.6541       160.8006 940.2997       368.8012 199.9017       178.6788 147.3126 41.12452 77.92299 29.10104 69.38957       50.37953 
1 1 1 -15 38 3  o 145.1833 17.42287 671.7522       145.3897 1156.167       391.3825 594.2039       156.5954 165.1573 40.67857 134.4523 20.50721 30.70503       45.55537 
1 1 1 -15 38 4  o 77.63407 25.27149 207.1740       131.9385 906.8342       389.6722 116.5773       140.2207 140.9475 43.12194 65.22285 25.42570 75.72461       50.05965 
1 1 1 -15 38 5  o 98.58527 23.38322 334.8034       133.1398 427.4132       377.3173 321.6327       142.2925 101.1255 40.95109 95.62314 25.07061 5.502312       48.01591 
1 1 1 -15 38 6  o 88.37270 24.80379 274.3622       133.7776 654.4203       415.5726 230.4249       141.2990 116.3790 44.18033 81.05864 26.13404 35.32032       51.33117 
1 1 1 -15 38 7  o 104.6097 22.42353 372.7025       133.4371 563.6487       434.2264 352.7906       140.2220 109.0066 44.00690 100.6798 24.07384 8.326805       50.16131 
1 1 1 -15 38 8  o 44.19191 20.59360 -86.20347      130.4033 -721.3938      445.4959 -26.67893      136.3766 61.66803 30.73627 49.78951 22.37498 11.87852       38.01787 
1 1 1 -15 38 9  o 135.9993 16.84219 589.9796       131.4656 955.0646       460.4577 557.5779       137.1755 135.1274 47.20881 131.2296 18.32235 3.897812       50.63971 
1 1 1 -15 38 10 o 57.76708 23.40617 73.98790       123.3433 -156.8957      455.1649 92.28616       128.1378 75.77332 36.23712 60.58899 24.09349 15.18433       43.51580 
1 1 1 -15 38 11 o 74.15237 24.07142 189.3986       119.7504 351.6873       431.1604 175.8334       124.6547 94.83237 41.31621 72.01495 24.59023 22.81743       48.08023 
1 1 1 -15 38 12 o 85.01650 23.76527 254.6009       123.0740 143.3716       428.2932 264.6124       128.4935 84.37753 38.59771 86.37856 24.33197 -2.001038      45.62705 
1 1 1 -15 38 13 o 106.1966 20.35109 378.8480       122.1381 -97.88857      432.2236 420.2200       127.3276 75.21748 35.78723 112.1449 20.09765 -36.92738      41.04438 
1 1 1 -15 38 14 o 55.79295 22.80383 66.73557       118.2934 27.07431       433.3000 69.92967       122.9646 79.04639 37.06422 56.77495 23.23266 22.27144       43.74372 
1 1 1 -15 38 15 o 47.57043 21.05172 -4.709137      115.9839 -415.1884      421.0634 28.99329       120.6514 64.73000 31.82416 51.73082 22.19330 12.99917       38.79845 
1 1 1 -15 38 16 o 72.92248 24.67022 187.0738       125.4332 -611.9709      431.7037 260.7502       131.0885 60.92747 30.34943 84.72507 24.80310 -23.79760      39.19543 
1 1 1 -15 38 17 o 100.0384 22.90784 353.5695       131.4996 -25.28175      453.3869 388.3665       137.4060 76.68397 36.53228 104.9461 22.96441 -28.26208      43.15057 
1 1 1 -15 38 18 f 44.93717 20.70725 -54.61575      126.4009 -265.3409      456.6264 -37.12865      131.5411 69.55140 33.97374 47.18602 21.51052 22.36538       40.21091 
1 1 1 -15 38 19 o 57.09538 23.90321 67.04555       134.3203 401.0032       483.5101 39.11728       139.8240 91.76718 41.60029 54.95360 23.73664 36.81358       47.89585 
1 1 1 -15 38 20 o 42.14965 20.19572 -143.6332      142.8528 0.000000       0.000000 -143.6332      142.8528 ?        ?        42.14965 20.19572 0.000000       20.19572 
1 1 1 -15 38 21 o 54.22361 23.97664 19.42787       150.1586 0.000000       0.000000 19.42787       150.1586 ?        ?        54.22361 23.97664 0.000000       23.97664 
1 1 1 -15 38 22 o 104.4920 26.39598 417.1289       161.7853 0.000000       0.000000 417.1289       161.7853 ?        ?        104.4920 26.39598 0.000000       26.39598 
1 1 1 -15 38 23 o 99.92698 27.05299 389.1289       162.3979 0.000000       0.000000 389.1289       162.3979 ?        ?        99.92698 27.05299 0.000000       27.05299 
1 1 1 -15 38 24 o 71.50440 27.87751 184.3189       168.5826 0.000000       0.000000 184.3189       168.5826 ?        ?        71.50440 27.87751 0.000000       27.87751 
1 1 1 -15 38 25 o 76.73106 28.99202 233.0175       178.4580 0.000000       0.000000 233.0175       178.4580 ?        ?        76.73106 28.99202 0.000000       28.99202 
1 1 1 -15 39 1  o 106.5926 23.07764 390.9746       140.0793 237.6475       318.7322 427.6794       155.9473 86.08643 36.47293 110.4723 24.69165 -24.38583      44.04489 
1 1 1 -15 39 2  o 63.68070 24.99464 110.1579       136.2744 93.76902       338.7237 113.3229       148.8524 78.48575 35.26742 65.23123 25.95871 13.25452       43.79093 
1 1 1 -15 39 3  o 58.55316 24.30770 65.47301       137.2031 941.6525       384.0355 -62.72537      146.8981 142.5137 42.64222 48.76635 22.41765 93.74734       48.17582 
1 1 1 -15 39 4  o 116.4645 21.70422 458.1427       142.7949 476.9819       376.2295 454.9722       154.3438 102.9372 41.16779 114.6011 23.74532 -11.66395      47.52502 
1 1 1 -15 39 5  o 119.6840 22.16755 486.3946       149.8693 1457.217       399.4507 327.3469       161.6803 188.7575 37.40612 94.37803 27.52227 94.37951       46.44021 
1 1 1 -15 39 6  f 56.63753 23.96747 48.51997       137.3616 428.1834       393.6482 -4.118214      146.5748 98.92262 41.12900 53.10162 23.57376 45.82100       47.40587 
1 1 1 -15 39 7  o 118.6545 20.76112 471.7508       139.2132 546.0112       420.8412 462.6263       147.5182 105.7860 43.09681 116.2896 22.44287 -10.50359      48.59031 
1 1 1 -15 39 8  o 50.42297 22.39493 -7.681262      132.4351 104.0318       420.3296 -19.99349      139.5424 82.25272 37.85112 50.55890 22.68399 31.69382       44.12789 
1 1 1 -15 39 9  o 92.04619 24.75207 303.2411       136.5010 219.4187       420.0723 313.1368       144.3336 86.95274 39.15608 92.99446 25.63891 -6.041725      46.80334 
1 1 1 -15 39 10 o 65.76556 25.02539 132.9102       133.5312 -96.74931      431.3200 157.2551       140.4304 74.73126 35.61045 69.41702 25.82357 5.314240       43.98819 
1 1 1 -15 39 11 o 143.7189 16.71340 663.7335       138.2486 745.2894       436.8710 654.6575       145.7383 116.1875 44.99427 141.8270 17.92056 -25.63957      48.43171 
1 1 1 -15 39 12 o 109.3623 22.33218 414.6910       138.3861 -169.5117      431.3152 481.7318       146.1109 71.83308 34.59212 118.4804 21.83156 -46.64734      40.90516 
1 1 1 -15 39 13 o 150.6710 16.92368 732.9498       146.9637 386.9622       416.3402 782.1966       157.0750 93.19323 40.60103 155.1553 17.57087 -61.96212      44.24002 
1 1 1 -15 39 14 o 87.65924 23.85119 276.8617       125.8579 -108.6038      396.6489 320.0156       132.7161 70.93320 33.89664 94.29229 23.95537 -23.35909      41.50713 
1 1 1 -15 39 15 o 61.62024 24.10981 110.7676       126.4606 -137.7193      406.4854 137.3953       133.0639 70.19735 33.74736 65.58118 24.97528 4.616173       41.98392 
1 1 1 -15 39 16 o 55.71807 23.53732 56.17892       132.0959 190.8949       422.2972 41.56791       139.0749 82.38131 37.92094 55.13757 23.74347 27.24374       44.74092 
1 1 1 -15 39 17 o 88.03169 24.68369 285.7646       132.5542 205.7317       443.7925 293.6040       138.8945 83.14295 38.48526 88.73722 25.39926 -5.594269      46.11115 
1 1 1 -15 39 18 o 76.41875 26.43236 217.1097       144.1699 219.7739       433.4072 216.7782       152.8758 82.90730 38.25418 76.27996 27.15330 6.627335       46.91145 
1 1 1 -15 39 19 o 50.68143 23.06816 -25.56460      150.5404 0.000000       0.000000 -25.56460      150.5404 ?        ?        50.68143 23.06816 0.000000       23.06816 
1 1 1 -15 39 20 f 72.49937 26.86415 192.5966       151.6977 458.3161       464.4201 160.8601       160.5013 91.58807 41.21350 68.87786 27.09806 22.71021       49.32401 
1 1 1 -15 39 21 o 43.83399 21.02343 -147.0646      155.6498 285.4663       470.2487 -200.2820      164.9474 84.16991 39.18430 42.81977 20.80426 41.35014       44.36470 
1 1 1 -15 39 22 o 57.56323 25.73684 25.72623       177.9450 0.000000       0.000000 25.72623       177.9450 ?        ?        57.56323 25.73684 0.000000       25.73684 
1 1 1 -15 39 23 o 119.0704 27.50853 554.8427       188.2334 0.000000       0.000000 554.8427       188.2334 ?        ?        119.0704 27.50853 0.000000       27.50853 
1 1 1 -15 40 1  o 119.0494 29.57635 538.8520       205.5809 625.4416       344.3488 490.8969       256.2614 114.3165 40.74602 107.6076 35.23220 6.708900       53.86600 
1 1 1 -15 40 2  o 51.50686 23.00580 -11.09755      141.8041 -73.48899      342.1819 1.839055       155.8134 69.75477 32.78011 54.67101 24.28593 15.08376       40.79635 
1 1 1 -15 40 3  o 58.68448 24.89505 57.67066       148.8137 -185.0679      351.0286 110.8544       164.3094 66.23168 31.71407 65.65827 26.86047 0.5734100      41.56041 
1 1 1 -15 40 4  o 80.86428 27.06879 238.2203       151.0260 -366.6242      370.1811 358.9975       165.4188 62.21031 30.43085 97.94160 27.61409 -35.73129      41.09227 
1 1 1 -15 40 5  o 55.59518 24.40606 19.11455       152.9767 111.8670       377.8151 0.9267123      167.3043 79.58447 36.34696 56.06312 25.01839 23.52135       44.12507 
1 1 1 -15 40 6  o 42.27885 20.39440 -179.3835      151.4417 -109.0585      392.4960 -191.6844      164.1530 71.52819 34.05201 43.88949 21.18663 27.63870       40.10501 
1 1 1 -15 40 7  f 62.81123 24.98253 108.7888       137.7972 384.7784       401.4515 71.92921       146.7107 93.63107 40.33003 59.62522 24.97315 34.00585       47.43596 
1 1 1 -15 40 8  o 44.95347 21.06870 -92.79307      139.7374 -470.8166      420.7097 -45.91754      148.1482 63.19300 31.20961 49.57871 22.68737 13.61429       38.58441 
1 1 1 -15 40 9  o 62.56321 24.98869 107.5601       138.4385 -194.7593      413.7678 145.6690       146.9051 69.65770 33.62841 67.81017 26.13649 1.847534       42.59091 
1 1 1 -15 40 10 o 75.90069 26.02077 208.0091       139.6115 115.6648       389.0678 221.6570       149.5730 78.98981 36.37381 77.80207 26.92250 1.187737       45.25345 
1 1 1 -15 40 11 f 61.07027 24.81535 96.42114       139.1017 -257.7262      376.7097 152.3321       149.6798 64.71272 31.44085 68.47253 26.38470 -3.759819      41.04484 
1 1 1 -15 40 12 o 61.04729 24.77538 97.59062       138.4544 84.36670       377.8163 99.64198       148.8063 76.54910 35.45976 62.23016 25.52176 14.31893       43.68930 
1 1 1 -15 40 13 o 93.19615 25.59646 323.3911       144.1675 14.85942       391.5280 371.7845       155.0622 74.24585 34.94472 99.59870 26.19955 -25.35285      43.67551 
1 1 1 -15 40 14 o 93.93633 24.58368 324.0102       136.9814 -78.96104      402.2701 376.8654       145.6882 71.30271 34.09029 101.4261 24.72064 -30.12343      42.11007 
1 1 1 -15 40 15 o 94.43121 24.99441 330.8418       140.5660 235.4120       398.3792 344.4122       150.2284 82.88939 37.64891 95.48483 26.09038 -12.59544      45.80555 
1 1 1 -15 40 16 o 58.52499 24.62095 74.24629       143.5815 -405.2682      374.5927 156.8291       155.4545 59.62626 29.44833 68.51595 26.75347 -8.889683      39.78633 
1 1 1 -15 40 17 o 45.07978 21.34358 -109.2015      150.0999 184.4457       337.9035 -181.3887      167.5366 77.74314 35.05385 44.17774 21.34495 33.56540       41.04119 
1 1 1 -15 40 18 o 41.66839 20.32242 -215.4917      161.5945 -393.1540      314.8808 -151.9726      188.2785 54.50968 26.93576 48.54302 23.23936 5.966656       35.57531 
1 1 1 -15 40 19 f 83.12080 27.39976 271.5557       154.8832 22.26842       335.8347 338.9021       174.5552 69.73011 32.67492 91.21418 29.01040 -21.48407      43.69501 
1 1 1 -15 40 20 o 60.36330 25.41393 88.30875       153.1662 -323.1994      391.5371 162.6605       166.4291 62.02918 30.53391 68.96943 27.44784 -6.940250      41.05732 
1 1 1 -15 40 21 o 63.27318 27.41278 92.66283       187.6147 0.000000       0.000000 92.66283       187.6147 ?        ?        63.27318 27.41278 0.000000       27.41278 
1 1 1 -15 41 1  o 59.19867 26.06935 32.51480       175.7961 911.8651       364.9608 -233.1526      200.6016 136.2314 41.74233 47.54216 23.06238 88.68925       47.68958 
1 1 1 -15 41 2  o 46.39038 21.72948 -91.90865      148.2741 -41.05817      379.4488 -101.0725      161.0814 72.34141 34.15621 47.93930 22.51648 24.40211       40.91013 
1 1 1 -15 41 3  o 50.31465 23.11059 -50.05768      155.6821 82.13194       365.7354 -79.30996      172.0474 76.47013 35.23259 50.89067 23.69483 25.57946       42.45916 
1 1 1 -15 41 4  o 88.06588 27.93548 296.6352       161.9495 395.0647       368.2393 273.0317       180.3249 93.01920 39.29685 84.11395 29.53159 8.905251       49.15646 
1 1 1 -15 41 5  o 47.03305 22.29460 -125.7859      164.7001 722.9816       381.2525 -320.5275      182.6197 116.1588 42.66777 41.50912 20.51185 74.64964       47.34211 
1 1 1 -15 41 6  o 62.14831 26.51056 76.88831       170.3783 26.83532       391.7515 88.56438       189.2100 75.16878 35.24488 64.90251 27.81734 10.26627       44.89996 
1 1 1 -15 41 7  o 60.63789 25.05267 87.93442       144.7791 419.6446       382.4125 32.43421       156.4228 93.90379 39.87466 56.63120 24.77497 37.27260       46.94452 
1 1 1 -15 41 8  o 40.10553 19.50662 -198.9082      146.0735 -405.0175      372.2701 -161.3991      158.8099 60.22650 29.67103 44.12090 21.18063 16.10560       36.45530 
1 1 1 -15 41 9  o 46.21013 21.56978 -80.17681      144.0147 -189.8087      371.0091 -60.72734      156.2680 66.00352 31.85914 49.46222 22.87470 16.54130       39.22062 
1 1 1 -15 41 10 o 86.78360 27.10678 287.8571       153.0484 246.3930       407.7272 294.6577       165.1230 84.17822 38.17644 87.02175 28.26747 -2.843536      47.50253 
1 1 1 -15 41 11 o 90.57764 26.06579 309.9477       145.9041 -72.47541      396.3961 369.8778       156.9206 70.95499 33.90126 98.74029 26.53315 -27.78529      43.05001 
1 1 1 -15 41 12 o 60.84681 25.00018 95.72959       143.1217 186.2691       384.6203 81.17793       154.1947 80.02640 36.59583 60.38949 25.46613 19.63691       44.58451 
1 1 1 -15 41 13 o 131.7824 19.74989 589.3902       147.9452 768.2834       370.2105 555.3914       161.3926 117.4060 42.20156 125.1215 22.83499 -7.715523      47.98342 
1 1 1 -15 41 14 o 124.5727 20.86983 536.6273       147.0845 114.1217       373.6827 614.0853       160.0000 75.79726 35.16469 133.0741 21.21264 -57.27681      41.06740 
1 1 1 -15 41 15 o 56.35384 24.54127 44.09721       151.9808 -10.63882      348.7284 56.93101       168.8606 69.38142 32.75432 59.29308 25.84405 10.08833       41.72242 
1 1 1 -15 41 16 o 76.47469 27.34449 223.5307       155.2071 -151.2351      319.5462 339.2416       177.5582 62.12725 29.88151 91.08467 29.28947 -28.95742      41.84230 
1 1 1 -15 41 17 o 45.64016 21.88437 -150.4437      168.4300 47.98583       297.7648 -243.8041      204.2450 68.56403 31.66166 46.75131 22.81154 21.81272       39.02341 
1 1 1 -15 41 18 o 76.41611 28.19683 228.1475       166.8130 383.1856       291.8693 152.9366       203.2869 88.88513 36.00871 69.44877 29.26086 19.43636       46.39854 
1 1 1 -15 42 1  o 70.83563 27.23687 170.4047       159.2642 281.5497       386.1455 147.6220       174.8269 85.65577 38.13012 69.07355 27.90983 16.58221       47.25319 
1 1 1 -15 42 2  o 118.9091 23.80509 505.1119       160.2143 1019.098       385.6316 397.8867       176.1348 140.6321 42.87297 100.9376 28.50688 39.69450       51.48528 
1 1 1 -15 42 3  o 80.21683 28.10997 244.8737       163.3302 956.2014       371.3354 74.24727       181.8674 136.8444 42.13755 62.70332 27.07753 74.14105       50.08758 
1 1 1 -15 42 4  o 68.02277 27.19646 145.0337       164.1470 448.8301       349.9351 59.33033       185.8640 95.36724 39.12759 61.80719 27.02347 33.56005       47.55245 
1 1 1 -15 42 5  f 180.6055 17.15232 1062.218       179.5008 1085.780       363.1468 1054.600       206.4899 150.6443 40.31193 176.5494 20.31231 -25.90511      45.14025 
1 1 1 -15 42 6  o 65.20156 27.04541 115.7474       169.6527 457.0285       339.4104 2.080900       195.8779 95.79593 38.82262 58.56095 26.51953 37.23498       47.01575 
1 1 1 -15 42 7  o 71.17765 26.77492 178.6644       151.8297 106.9783       328.2747 198.1720       171.2464 74.18194 33.87985 73.99412 28.29543 0.1878204      44.14154 
1 1 1 -15 42 8  o 57.91193 25.02518 54.23595       155.5482 -134.0065      342.4242 103.1788       174.6024 64.98587 31.17197 64.18182 27.08397 0.8040466      41.29446 
1 1 1 -15 42 9  o 81.39494 27.92959 258.0683       160.8555 -115.2153      367.8040 346.3504       178.8682 67.17353 32.24367 92.43571 29.36284 -25.26218      43.60998 
1 1 1 -15 42 10 o 57.62215 24.83765 56.22858       152.4758 131.8839       365.8489 40.32484       167.7381 76.37203 35.20564 57.93443 25.49050 18.43760       43.46495 
1 1 1 -15 42 11 o 73.93033 27.33887 202.7923       156.9641 430.2386       381.2873 156.3814       172.2356 91.56665 39.37086 68.98430 27.76284 22.58235       48.17509 
1 1 1 -15 42 12 o 47.78704 22.29027 -72.29008      153.3626 -132.3933      373.4575 -60.09837      168.1994 66.61831 32.10799 50.72557 23.55342 15.89273       39.82068 
1 1 1 -15 42 13 o 62.15085 25.53946 106.8301       149.3891 19.85363       356.6571 125.3363       164.5161 70.84126 33.34540 65.17673 26.79408 5.664536       42.77661 
1 1 1 -15 42 14 o 72.81065 27.12589 197.0097       155.0614 126.3849       333.5893 216.4749       175.1312 74.02665 33.93812 75.29198 28.65747 -1.265335      44.41899 
1 1 1 -15 42 15 o 50.25188 23.33009 -55.43272      164.9332 -443.7394      348.2995 56.80977       187.2596 55.73091 27.67740 60.59230 26.78487 -4.861389      38.51581 
1 1 1 -15 43 1  o 235.0741 35.35268 2354.071       472.3140 2354.071       472.3140 0.000000       0.000000 235.0741 35.35268 ?        ?        0.000000       35.35268 
1 1 1 -15 43 2  o 68.77601 31.44429 54.56659       283.7563 -112.2428      387.5172 247.3983       416.6486 68.55923 32.95745 83.06272 38.02378 -14.50349      50.31900 
1 1 1 -15 43 3  o 62.76834 26.66561 91.80762       171.1504 173.8524       355.5601 67.06468       195.2599 78.10986 35.51334 62.81763 27.57519 15.29223       44.96208 
1 1 1 -15 43 4  o 94.47708 27.96415 352.2046       165.8622 871.6035       369.1929 220.8655       185.6521 126.5591 42.32163 76.47422 29.40634 50.08483       51.53497 
1 1 1 -15 43 5  o 76.04643 28.01325 218.4732       164.5308 523.4830       317.6190 106.6108       192.3498 101.0253 38.55907 65.66269 28.09303 35.36265       47.70766 
1 1 1 -15 43 6  o 47.60274 22.56934 -117.3425      168.9540 121.8608       297.9575 -230.7047      205.1185 72.94137 32.90021 47.57038 23.13235 25.37099       40.21852 
1 1 1 -15 43 7  o 39.30767 19.30956 -242.8798      153.9989 -359.9545      309.3823 -204.3183      177.5585 54.98341 27.08046 44.69789 21.68609 10.28553       34.69349 
1 1 1 -15 43 8  o 54.30100 24.39854 4.086190       162.0882 -120.8928      317.9770 47.96199       188.4038 63.18346 30.23557 60.50468 26.80044 2.678787       40.40363 
1 1 1 -15 43 9  o 44.87193 21.52222 -150.3997      163.1649 -200.1213      361.3102 -137.6620      182.8742 63.54877 30.85595 48.42095 23.10498 15.12782       38.54776 
1 1 1 -15 43 10 o 53.59568 24.24241 -4.439855      163.1101 230.1807       387.3525 -55.00860      179.8309 80.31359 36.72657 52.39276 24.33667 27.92083       44.05808 
1 1 1 -15 43 11 o 52.62064 24.07693 -23.32107      166.7956 -123.9234      371.5682 2.066985       186.6591 66.03977 31.87825 56.68206 25.75538 9.357708       40.98247 
1 1 1 -14 0  1  o 100.2857 33.61292 380.8166       176.3654 380.8166       176.3654 380.8166       176.3654 100.2857 33.61292 100.2857 33.61292 0.000000       0.000000 
1 1 1 -14 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  3  o 891.3848 21.13432 23389.12       1103.449 23389.12       1103.449 23389.12       1103.449 891.3848 21.13432 891.3848 21.13432 0.000000       0.000000 
1 1 1 -14 0  4  o 202.7327 15.98551 1229.011       187.2680 1229.011       187.2680 1229.011       187.2680 202.7327 15.98551 202.7327 15.98551 0.000000       0.000000 
1 1 1 -14 0  5  o 1458.812 33.35362 62842.94       2850.229 62842.94       2850.229 62842.94       2850.229 1458.812 33.35362 1458.812 33.35362 0.000000       0.000000 
1 1 1 -14 0  6  o 31.16192 22.06695 -214.2186      166.8345 -214.2186      166.8345 -214.2186      166.8345 31.16192 22.06695 31.16192 22.06695 0.000000       0.000000 
1 1 1 -14 0  7  o 740.2526 18.12861 16124.33       785.9704 16124.33       785.9704 16124.33       785.9704 740.2526 18.12861 740.2526 18.12861 0.000000       0.000000 
1 1 1 -14 0  8  o 161.7613 20.95732 806.6833       189.6342 806.6833       189.6342 806.6833       189.6342 161.7613 20.95732 161.7613 20.95732 0.000000       0.000000 
1 1 1 -14 0  9  o 1115.878 25.96375 36703.77       1697.083 36703.77       1697.083 36703.77       1697.083 1115.878 25.96375 1115.878 25.96375 0.000000       0.000000 
1 1 1 -14 0  10 o 972.2053 22.92642 27842.43       1305.566 27842.43       1305.566 27842.43       1305.566 972.2053 22.92642 972.2053 22.92642 0.000000       0.000000 
1 1 1 -14 0  11 o 386.2871 13.91499 4397.441       314.3125 4397.441       314.3125 4397.441       314.3125 386.2871 13.91499 386.2871 13.91499 0.000000       0.000000 
1 1 1 -14 0  12 f 284.4472 14.41889 2393.748       239.1206 2393.748       239.1206 2393.748       239.1206 284.4472 14.41889 284.4472 14.41889 0.000000       0.000000 
1 1 1 -14 0  13 o 1020.701 23.89594 30710.28       1428.681 30710.28       1428.681 30710.28       1428.681 1020.701 23.89594 1020.701 23.89594 0.000000       0.000000 
1 1 1 -14 0  14 o 714.4959 17.57991 15028.00       735.6523 15028.00       735.6523 15028.00       735.6523 714.4959 17.57991 714.4959 17.57991 0.000000       0.000000 
1 1 1 -14 0  15 o 396.3059 12.47636 4624.363       289.3292 4624.363       289.3292 4624.363       289.3292 396.3059 12.47636 396.3059 12.47636 0.000000       0.000000 
1 1 1 -14 0  16 o 964.7192 22.56441 27447.29       1275.083 27447.29       1275.083 27447.29       1275.083 964.7192 22.56441 964.7192 22.56441 0.000000       0.000000 
1 1 1 -14 0  17 o 48.24973 27.66803 87.29621       124.3031 87.29621       124.3031 87.29621       124.3031 48.24973 27.66803 48.24973 27.66803 0.000000       0.000000 
1 1 1 -14 0  18 o 99.20074 39.71832 404.0139       224.1925 404.0139       224.1925 404.0139       224.1925 99.20074 39.71832 99.20074 39.71832 0.000000       0.000000 
1 1 1 -14 0  19 o 58.17855 28.06494 147.0864       111.1625 147.0864       111.1625 147.0864       111.1625 58.17855 28.06494 58.17855 28.06494 0.000000       0.000000 
1 1 1 -14 0  20 o 188.5678 12.14733 1057.574       133.0427 1057.574       133.0427 1057.574       133.0427 188.5678 12.14733 188.5678 12.14733 0.000000       0.000000 
1 1 1 -14 0  21 o 508.5771 13.33370 7620.083       397.0844 7620.083       397.0844 7620.083       397.0844 508.5771 13.33370 508.5771 13.33370 0.000000       0.000000 
1 1 1 -14 0  22 o 49.65646 26.23608 105.7082       102.0790 105.7082       102.0790 105.7082       102.0790 49.65646 26.23608 49.65646 26.23608 0.000000       0.000000 
1 1 1 -14 0  23 o 523.6312 13.56219 8083.995       415.8597 8083.995       415.8597 8083.995       415.8597 523.6312 13.56219 523.6312 13.56219 0.000000       0.000000 
1 1 1 -14 0  24 o 215.7179 10.78330 1377.978       135.6418 1377.978       135.6418 1377.978       135.6418 215.7179 10.78330 215.7179 10.78330 0.000000       0.000000 
1 1 1 -14 0  25 o 304.1388 10.67275 2729.389       189.8378 2729.389       189.8378 2729.389       189.8378 304.1388 10.67275 304.1388 10.67275 0.000000       0.000000 
1 1 1 -14 0  26 o 317.4308 10.69808 2973.034       198.6482 2973.034       198.6482 2973.034       198.6482 317.4308 10.69808 317.4308 10.69808 0.000000       0.000000 
1 1 1 -14 0  27 o 277.7780 10.65960 2279.216       173.0742 2279.216       173.0742 2279.216       173.0742 277.7780 10.65960 277.7780 10.65960 0.000000       0.000000 
1 1 1 -14 0  28 o 163.9214 12.49993 804.7517       118.5219 804.7517       118.5219 804.7517       118.5219 163.9214 12.49993 163.9214 12.49993 0.000000       0.000000 
1 1 1 -14 0  29 o 215.1245 11.79694 1374.143       147.8065 1374.143       147.8065 1374.143       147.8065 215.1245 11.79694 215.1245 11.79694 0.000000       0.000000 
1 1 1 -14 0  30 o 112.4120 20.77543 409.7089       123.1972 409.7089       123.1972 409.7089       123.1972 112.4120 20.77543 112.4120 20.77543 0.000000       0.000000 
1 1 1 -14 0  31 o 34.22498 22.44063 -15.40488      112.5127 -15.40488      112.5127 -15.40488      112.5127 34.22498 22.44063 34.22498 22.44063 0.000000       0.000000 
1 1 1 -14 0  32 f 72.18826 27.96718 211.9145       112.5173 211.9145       112.5173 211.9145       112.5173 72.18826 27.96718 72.18826 27.96718 0.000000       0.000000 
1 1 1 -14 0  33 o 44.76941 26.52931 68.30322       120.5564 68.30322       120.5564 68.30322       120.5564 44.76941 26.52931 44.76941 26.52931 0.000000       0.000000 
1 1 1 -14 0  34 o 327.7605 11.67694 3178.345       223.8116 3178.345       223.8116 3178.345       223.8116 327.7605 11.67694 327.7605 11.67694 0.000000       0.000000 
1 1 1 -14 0  35 o 45.83816 26.37692 81.45085       113.5540 81.45085       113.5540 81.45085       113.5540 45.83816 26.37692 45.83816 26.37692 0.000000       0.000000 
1 1 1 -14 0  36 o 63.41390 28.55836 175.7835       113.7844 175.7835       113.7844 175.7835       113.7844 63.41390 28.55836 63.41390 28.55836 0.000000       0.000000 
1 1 1 -14 0  37 o 153.9027 16.31546 726.7231       143.1071 726.7231       143.1071 726.7231       143.1071 153.9027 16.31546 153.9027 16.31546 0.000000       0.000000 
1 1 1 -14 0  38 o 135.1614 18.43975 574.7122       138.4750 574.7122       138.4750 574.7122       138.4750 135.1614 18.43975 135.1614 18.43975 0.000000       0.000000 
1 1 1 -14 0  39 o 29.65965 20.57954 -99.15685      124.7943 -99.15685      124.7943 -99.15685      124.7943 29.65965 20.57954 29.65965 20.57954 0.000000       0.000000 
1 1 1 -14 0  40 o 49.92289 28.04465 109.0731       124.1914 109.0731       124.1914 109.0731       124.1914 49.92289 28.04465 49.92289 28.04465 0.000000       0.000000 
1 1 1 -14 0  41 o 112.1895 21.16589 419.6071       124.8063 419.6071       124.8063 419.6071       124.8063 112.1895 21.16589 112.1895 21.16589 0.000000       0.000000 
1 1 1 -14 0  42 o 62.24883 30.20116 182.8988       128.9700 182.8988       128.9700 182.8988       128.9700 62.24883 30.20116 62.24883 30.20116 0.000000       0.000000 
1 1 1 -14 0  43 o 27.48650 19.50657 -159.6906      132.8392 -159.6906      132.8392 -159.6906      132.8392 27.48650 19.50657 27.48650 19.50657 0.000000       0.000000 
1 1 1 -14 0  44 o 55.19426 30.04096 147.6997       137.4810 147.6997       137.4810 147.6997       137.4810 55.19426 30.04096 55.19426 30.04096 0.000000       0.000000 
1 1 1 -14 0  45 o 41.03382 25.91320 42.04838       132.8554 42.04838       132.8554 42.04838       132.8554 41.03382 25.91320 41.03382 25.91320 0.000000       0.000000 
1 1 1 -14 0  46 o 45.05706 27.86981 71.54348       145.5892 71.54348       145.5892 71.54348       145.5892 45.05706 27.86981 45.05706 27.86981 0.000000       0.000000 
1 1 1 -14 0  47 o 35.48972 23.79663 -25.73960      138.7192 -25.73960      138.7192 -25.73960      138.7192 35.48972 23.79663 35.48972 23.79663 0.000000       0.000000 
1 1 1 -14 0  48 o 36.96725 24.98626 -37.17485      158.7957 -37.17485      158.7957 -37.17485      158.7957 36.96725 24.98626 36.96725 24.98626 0.000000       0.000000 
1 1 1 -14 0  49 o 109.6847 31.26258 479.4350       174.2322 479.4350       174.2322 479.4350       174.2322 109.6847 31.26258 109.6847 31.26258 0.000000       0.000000 
1 1 1 -14 1  1  o 463.4424 9.659418 6303.762       262.5410 5830.867       353.2790 6887.094       392.3680 445.3238 13.54242 483.9871 13.83743 -38.66330      19.36160 
1 1 1 -14 1  2  o 1156.603 21.81791 39406.81       1479.953 37481.80       2463.916 40493.30       1851.071 1122.423 37.48248 1171.037 26.95268 -48.61328      46.16690 
1 1 1 -14 1  3  o 333.2677 12.87334 3266.976       251.1409 3266.976       251.1409 0.000000       0.000000 333.2677 12.87334 ?        ?        0.000000       12.87334 
1 1 1 -14 1  4  o 167.4061 12.99746 828.0792       126.6096 702.2527       175.8255 963.5883       182.4651 153.1643 20.05504 180.1670 17.48821 -27.00262      26.60906 
1 1 1 -14 1  5  o 836.6641 14.09869 20567.00       691.7999 20648.54       980.6597 20486.22       976.0622 837.4999 19.96563 834.2041 19.95054 3.295776       28.22500 
1 1 1 -14 1  6  o 333.7052 9.194518 3270.706       179.7746 3169.006       246.7127 3385.840       262.5006 328.2191 12.84151 339.2478 13.21888 -11.02872      18.42941 
1 1 1 -14 1  7  o 595.3138 10.94373 10404.98       382.0867 10190.71       530.1195 10636.63       551.2013 588.6049 15.36990 601.3207 15.64309 -12.71582      21.93035 
1 1 1 -14 1  8  o 370.8101 9.363121 4038.272       203.4582 4102.277       284.5798 3971.350       290.9941 373.4720 13.01246 367.4121 13.52765 6.059937       18.77023 
1 1 1 -14 1  9  o 729.1530 12.74525 15617.49       545.0266 15682.62       772.2250 15552.85       769.3509 730.0377 18.03632 727.0098 18.04404 3.027954       25.51267 
1 1 1 -14 1  10 o 352.3158 9.707280 3646.392       200.3854 3625.850       280.9934 3667.650       285.8444 351.0112 13.67591 353.0173 13.83327 -2.006073      19.45225 
1 1 1 -14 1  11 o 450.8780 10.00683 5968.081       264.6098 6010.335       374.4272 5925.922       374.0026 451.9944 14.14225 448.7971 14.22732 3.197235       20.06041 
1 1 1 -14 1  12 o 436.4082 9.826955 5591.242       251.5141 5701.628       356.2468 5481.538       355.1452 440.2318 13.81519 431.6188 14.04863 8.613068       19.70339 
1 1 1 -14 1  13 o 648.1578 11.61688 12340.19       441.5915 12155.15       617.1501 12534.32       632.1285 642.5315 16.39082 652.4597 16.53298 -9.928223      23.28086 
1 1 1 -14 1  14 o 478.7296 9.637619 6728.875       270.5893 6587.667       379.9236 6874.243       385.4790 473.1818 13.70489 483.3838 13.61102 -10.20193      19.31538 
1 1 1 -14 1  15 o 417.5352 11.94704 5126.894       292.2519 5141.845       412.9538 5111.893       413.6602 417.5465 16.89835 416.3154 16.97786 1.231110       23.95416 
1 1 1 -14 1  16 o 285.6052 8.393590 2396.734       140.4407 2437.070       197.8888 2355.802       199.3455 287.7273 11.75180 282.8531 12.04454 4.874146       16.82783 
1 1 1 -14 1  17 o 138.2874 11.98577 566.4262       96.24842 444.2770       131.3106 708.2486       141.4904 121.2464 19.09740 154.2551 15.86599 -33.00866      24.82822 
1 1 1 -14 1  18 o 254.2513 9.828632 1902.177       146.2810 1934.385       175.9453 1830.075       263.2498 256.2104 11.74049 248.3232 18.20238 7.887299       21.66023 
1 1 1 -14 1  19 o 431.8068 8.618032 5476.996       218.2469 5565.054       311.5063 5392.097       305.8665 434.7177 12.23040 427.9081 12.20041 6.809570       17.27521 
1 1 1 -14 1  20 o 524.8129 9.618292 8096.092       296.0417 7874.771       411.4376 8333.681       426.2897 516.7956 13.58662 531.6300 13.68378 -14.83441      19.28321 
1 1 1 -14 1  21 o 435.5462 8.558781 5574.810       218.6234 5537.291       308.1934 5612.814       310.1765 433.4368 12.13598 436.3857 12.13136 -2.948914      17.15960 
1 1 1 -14 1  22 o 341.0187 7.770445 3417.082       155.4085 3553.231       224.9707 3292.809       214.9341 347.2123 11.06203 334.2460 10.97939 12.96637       15.58575 
1 1 1 -14 1  23 o 207.6884 7.881967 1269.622       95.83154 1233.531       133.5144 1307.974       137.6319 204.3198 11.18476 210.4112 11.19348 -6.091461      15.82381 
1 1 1 -14 1  24 o 192.7073 8.172408 1093.905       92.15346 1062.713       131.9939 1123.568       128.7172 189.4464 11.94076 194.9105 11.30889 -5.464127      16.44606 
1 1 1 -14 1  25 o 273.2992 7.411410 2197.300       118.6830 2102.417       164.6344 2299.959       171.2471 266.8889 10.53887 279.1745 10.47776 -12.28558      14.86106 
1 1 1 -14 1  26 o 216.2666 7.582544 1377.055       96.02460 1270.291       133.8894 1490.136       137.7933 207.2231 11.05688 224.5788 10.49085 -17.35573      15.24180 
1 1 1 -14 1  27 o 337.0359 10.27370 3352.211       202.8366 3142.812       277.2403 3593.402       297.5432 325.2826 14.56963 347.8477 14.61771 -22.56506      20.63860 
1 1 1 -14 1  28 o 296.9097 7.683802 2594.811       133.6860 2649.734       192.3182 2543.458       185.9631 299.4567 10.96908 293.4111 10.82542 6.045624       15.41138 
1 1 1 -14 1  29 o 183.4540 8.839947 993.2069       94.83035 930.4544       132.5121 1059.081       135.7678 176.9120 12.85947 188.9035 12.32206 -11.99147      17.81009 
1 1 1 -14 1  30 o 443.9883 8.941076 5804.536       232.8154 5459.966       319.0130 6197.183       340.5420 429.5279 12.67774 457.6234 12.70083 -28.09552      17.94537 
1 1 1 -14 1  31 o 425.6555 8.787064 5335.187       219.3575 5051.585       302.1321 5651.320       318.9907 413.1290 12.48416 436.9936 12.45937 -23.86462      17.63775 
1 1 1 -14 1  32 o 50.20554 19.53946 48.16295       82.70388 -7.843898      116.0896 105.8834       117.8522 50.15231 21.64545 64.95052 23.74455 -14.79822      32.12988 
1 1 1 -14 1  33 o 274.6704 8.205406 2224.073       132.0308 2256.570       189.7209 2193.554       183.8566 275.9085 11.75156 272.0721 11.54872 3.836395       16.47640 
1 1 1 -14 1  34 o 226.0546 8.725787 1509.340       115.4654 1465.526       165.3190 1551.070       161.3393 221.8342 12.76087 228.4143 12.08690 -6.580124      17.57649 
1 1 1 -14 1  35 o 119.4238 12.65894 428.3852       87.31366 681.6367       269.3081 398.6377       92.29935 143.6745 32.69846 114.8491 13.99157 28.82540       35.56618 
1 1 1 -14 1  36 o 145.0499 11.05553 627.3421       93.33904 408.9626       259.6835 659.7408       100.0236 111.3818 35.37947 148.6554 11.56374 -37.27369      37.22133 
1 1 1 -14 1  37 o 131.7249 12.88146 522.2194       98.24332 566.1233       131.5865 466.9230       147.6753 136.0125 16.85664 121.7552 21.46502 14.25735       27.29273 
1 1 1 -14 1  38 o 69.79293 20.06207 153.6522       86.47829 159.7594       122.5460 147.5941       122.0531 72.60907 24.38427 70.64150 24.32556 1.967567       34.44308 
1 1 1 -14 1  39 o 83.10107 17.69949 219.2430       83.61719 64.60081       118.7186 371.4803       117.7919 57.82855 23.12614 108.2004 19.26900 -50.37181      30.10171 
1 1 1 -14 1  40 o 269.3948 7.325402 2150.202       115.6293 2056.225       158.5198 2257.061       169.0353 262.1087 10.33245 274.5286 10.51825 -12.41986      14.74426 
1 1 1 -14 1  41 o 56.18654 20.57863 87.18958       88.58251 105.3194       123.2726 67.83230       127.3773 62.96141 24.02407 58.65973 23.77929 4.301678       33.80252 
1 1 1 -14 1  42 o 170.8871 9.963409 878.0632       99.42143 892.9595       141.0278 863.3448       140.1823 170.1660 14.26237 167.2034 14.43670 2.962570       20.29368 
1 1 1 -14 1  43 o 39.12247 17.89668 -46.58907      92.08753 -22.31193      130.9783 -70.32023      129.4971 49.33103 22.06666 45.24559 20.88871 4.085442       30.38545 
1 1 1 -14 1  44 o 223.4340 8.755980 1497.320       114.5151 1624.137       160.2955 1365.133       163.6545 230.5724 11.89416 210.2533 13.34074 20.31908       17.87306 
1 1 1 -14 1  45 o 127.4032 14.35768 510.6950       105.4131 614.3918       153.4351 417.9974       145.0696 135.9779 19.82295 109.2841 23.34371 26.69385       30.62480 
1 1 1 -14 1  46 o 72.63495 22.32346 185.0842       104.2806 207.2111       148.8458 163.7541       146.1416 75.68114 26.80776 69.80572 26.26649 5.875427       37.53111 
1 1 1 -14 1  47 o 108.8716 17.26340 390.4840       106.5542 380.0411       143.5228 403.3090       159.0516 102.0547 24.32505 103.5733 26.17648 -1.518593      35.73396 
1 1 1 -14 1  48 o 130.2656 15.06934 545.5820       113.0057 429.5969       166.1239 645.4790       154.1727 105.6918 26.77421 137.8635 19.62139 -32.17171      33.19424 
1 1 1 -14 1  49 o 34.16747 16.89487 -233.9168      124.6099 -316.4099      194.6404 -176.6236      162.2094 42.80844 21.15800 43.36854 20.96590 -0.5600967     29.78640 
1 1 1 -14 2  1  o 798.2466 19.23819 18751.50       900.6414 19385.29       1298.108 18163.24       1250.618 809.7042 27.37530 783.7675 27.24883 25.93671       38.62519 
1 1 1 -14 2  2  o 590.6724 12.66352 10246.72       438.6837 9577.389       735.1901 10616.80       546.6678 569.7424 22.04402 600.8116 15.52740 -31.06927      26.96366 
1 1 1 -14 2  3  o 738.2720 18.16809 16033.99       786.6402 15387.47       1083.167 16755.57       1144.304 721.6487 25.63358 753.0149 25.94996 -31.36615      36.47576 
1 1 1 -14 2  4  o 714.3640 12.43080 14987.01       520.7977 15011.36       737.9297 14962.85       735.1167 714.4014 17.61255 713.2510 17.57371 1.150391       24.88045 
1 1 1 -14 2  5  f 811.2132 13.78215 19333.23       655.6957 19359.96       927.4470 19306.53       927.1407 811.0135 19.49892 809.8903 19.51951 1.123169       27.59020 
1 1 1 -14 2  6  o 147.0262 14.82942 641.6942       126.1248 673.5908       176.4476 608.3706       180.3512 149.8544 20.62318 141.9812 22.40080 7.873199       30.44850 
1 1 1 -14 2  7  o 268.3035 9.809697 2115.819       154.0993 2226.720       211.0272 1989.122       225.5562 275.0107 13.12179 259.7317 14.86955 15.27902       19.83141 
1 1 1 -14 2  8  o 336.8386 9.566710 3332.953       188.7969 3332.835       261.6424 3333.081       272.6991 336.5583 13.28161 336.5213 13.84679 0.3701782E-01  19.18684 
1 1 1 -14 2  9  o 489.4964 10.09670 7033.885       289.8541 7239.782       416.5627 6840.625       403.5769 496.1280 14.33149 482.2506 14.28506 13.87744       20.23498 
1 1 1 -14 2  10 o 1127.797 18.49386 37438.96       1223.232 36732.07       1703.651 38191.17       1757.424 1115.030 26.05215 1136.860 26.35840 -21.83020      37.06048 
1 1 1 -14 2  11 o 321.8805 9.979331 3044.547       188.1575 3100.418       268.5431 2990.667       263.7126 324.4828 14.14544 318.6769 14.14534 5.805878       20.00460 
1 1 1 -14 2  12 o 884.2060 14.88816 22987.28       772.0491 22858.10       1087.138 23118.72       1096.609 880.5450 21.05148 885.5364 21.11517 -4.991455      29.81636 
1 1 1 -14 2  13 o 204.0381 12.05321 1227.297       143.5904 1185.723       210.3643 1263.565       196.4808 199.8556 18.14512 206.5905 16.34979 -6.734970      24.42460 
1 1 1 -14 2  14 o 189.5228 10.96755 1058.507       121.3843 1290.567       171.8921 827.6780       171.4354 209.0350 14.10380 166.7110 17.80973 42.32399       22.71792 
1 1 1 -14 2  15 o 389.5779 8.742367 4455.482       199.7440 4473.038       282.9042 4438.031       282.0592 389.9299 12.38664 388.3984 12.39850 1.531555       17.52574 
1 1 1 -14 2  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2  17 o 192.8851 10.71965 1096.658       120.7865 1161.460       150.3966 978.9172       202.7242 198.2854 13.00470 181.0679 19.39201 17.21753       23.34893 
1 1 1 -14 2  18 o 177.3890 12.59349 930.3775       130.1638 775.3181       159.5135 1239.378       225.1792 161.2229 17.13221 203.9522 19.04586 -42.72929      25.61752 
1 1 1 -14 2  19 o 434.2488 8.691319 5539.388       221.3476 5437.328       312.5285 5642.108       313.5396 429.6599 12.41566 437.7115 12.22586 -8.051666      17.42471 
1 1 1 -14 2  20 o 213.8569 8.085702 1345.340       101.2298 1317.771       143.0143 1373.022       143.3074 211.2996 11.58497 215.7221 11.36735 -4.422516      16.23047 
1 1 1 -14 2  21 o 290.5971 7.508790 2482.127       127.8639 2494.741       182.3803 2469.934       179.3123 290.9833 10.70533 289.5475 10.57719 1.435883       15.04929 
1 1 1 -14 2  22 o 174.2727 8.342349 894.7206       85.01690 958.7646       123.9185 837.7686       116.8562 180.0146 11.80266 168.2051 11.92301 11.80954       16.77680 
1 1 1 -14 2  23 o 208.5148 7.940494 1279.823       96.92606 1200.317       136.0365 1361.802       138.1359 201.4859 11.56078 214.7318 11.00553 -13.24586      15.96162 
1 1 1 -14 2  24 o 179.4223 8.229231 948.6214       86.36308 1000.800       123.2898 898.3520       121.0136 183.8865 11.48954 174.1181 11.92253 9.768341       16.55766 
1 1 1 -14 2  25 o 278.6363 7.391191 2283.899       120.6755 2248.887       173.1681 2316.954       168.2595 276.0071 10.71824 280.2375 10.25500 -4.230377      14.83394 
1 1 1 -14 2  26 o 367.6703 7.898043 3976.225       170.3054 4155.972       247.8416 3815.426       234.4154 375.1256 11.27822 359.4468 11.13332 15.67880       15.84768 
1 1 1 -14 2  27 o 67.74931 17.55784 141.8201       70.32777 200.5775       97.96268 79.33167       101.0250 80.31725 20.67511 58.55456 21.87911 21.76268       30.10242 
1 1 1 -14 2  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 2  29 o 212.4121 8.487690 1330.132       105.5222 1403.776       151.6336 1260.977       146.9390 217.6695 11.92365 206.2154 12.20428 11.45407       17.06217 
1 1 1 -14 2  30 o 208.0857 8.835362 1277.139       107.5790 1469.774       157.9361 1110.400       146.9379 222.7041 12.13801 193.3130 13.03676 29.39111       17.81259 
1 1 1 -14 2  31 o 171.9178 9.633396 873.7468       96.74091 912.7343       141.4073 839.4449       132.6379 174.9768 13.89373 167.8209 13.59256 7.155945       19.43690 
1 1 1 -14 2  32 o 261.3340 8.243464 2012.794       126.1864 2050.814       183.1972 1978.471       174.0621 263.0810 11.90435 258.4773 11.51124 4.603729       16.55966 
1 1 1 -14 2  33 o 264.3825 8.337786 2061.157       129.1191 2026.064       185.1697 2094.369       180.1383 261.3120 12.11557 265.8221 11.58265 -4.510162      16.76141 
1 1 1 -14 2  34 o 175.5260 9.783137 912.8243       100.3110 964.3608       305.7983 906.6101       106.1866 172.8498 31.31872 174.8082 10.40463 -1.958450      33.00180 
1 1 1 -14 2  35 o 255.4407 7.827207 1925.063       117.1210 2160.671       330.3196 1891.184       125.2590 265.5996 21.38655 253.0532 8.451944 12.54646       22.99608 
1 1 1 -14 2  36 o 225.7469 8.140063 1505.409       107.5942 1818.682       300.3267 1459.281       115.2437 243.2224 21.26801 222.1052 8.865051 21.11719       23.04164 
1 1 1 -14 2  37 o 114.5080 17.57554 405.0690       114.2663 220.3253       270.1441 445.3246       126.1025 91.57335 35.40350 119.8519 18.53801 -28.27859      39.96330 
1 1 1 -14 2  38 o 58.79686 21.02254 94.40295       91.73538 40.19014       128.1609 151.3607       131.3653 56.87490 23.54139 71.94369 25.20977 -15.06879      34.49245 
1 1 1 -14 2  39 o 150.9423 10.76578 683.0980       94.67744 573.4136       130.8213 803.7291       137.1942 136.0856 16.74398 162.3768 14.56101 -26.29121      22.18973 
1 1 1 -14 2  40 o 57.72652 20.15408 97.27298       83.91261 123.4236       121.3363 73.30073       116.1727 65.74551 24.08373 58.11594 22.99513 7.629562       33.29868 
1 1 1 -14 2  41 o 101.7553 15.18583 323.7667       87.85482 511.7532       124.8490 139.3717       123.6506 127.4070 17.14329 67.85963 24.38980 59.54733       29.81199 
1 1 1 -14 2  42 o 138.1218 11.58846 579.9212       93.00785 640.5602       123.5840 500.7137       141.2438 143.6176 14.88821 124.0083 20.10898 19.60927       25.02059 
1 1 1 -14 2  43 o 104.8768 15.29568 347.4561       91.31172 339.7704       125.7282 356.0349       132.8330 100.1061 22.01525 102.0799 22.76768 -1.973732      31.67078 
1 1 1 -14 2  44 o 47.57048 20.13159 24.85700       96.92032 118.7480       139.4470 -62.88438      134.8030 64.82794 25.33131 46.50571 21.41354 18.32224       33.16949 
1 1 1 -14 2  45 o 45.89443 20.10285 1.606468       103.2721 35.01296       147.7581 -30.29774      144.3976 56.30717 24.36116 50.29361 22.77317 6.013569       33.34792 
1 1 1 -14 2  46 o 92.31895 20.13741 291.4747       105.9538 414.8456       155.0271 183.3332       145.1434 106.6183 25.19482 72.34419 26.36577 34.27413       36.46824 
1 1 1 -14 2  47 o 50.80488 21.69158 34.88153       114.2521 0.1129578      172.8718 61.84661       152.2410 55.78609 25.12027 58.44231 24.99819 -2.656227      35.43921 
1 1 1 -14 2  48 o 151.4347 13.73104 725.2119       120.6252 467.0525       180.7034 932.7063       162.0039 108.9312 28.10055 169.2022 16.53645 -60.27104      32.60514 
1 1 1 -14 2  49 f 168.6221 13.96092 902.4321       136.8273 975.2395       217.0625 854.4269       176.2548 165.3143 23.01134 158.7537 19.32861 6.560638       30.05190 
1 1 1 -14 3  1  o 450.1988 19.56434 5976.421       515.3260 0.000000       0.000000 5976.421       515.3260 ?        ?        450.1988 19.56434 0.000000       19.56434 
1 1 1 -14 3  2  o 655.4925 16.38335 12632.39       629.8266 11759.17       838.1082 13765.33       954.6459 631.2808 22.67425 682.8502 23.87454 -51.56940      32.92590 
1 1 1 -14 3  3  o 665.7074 11.83727 13013.10       462.1528 12838.50       643.7359 13198.81       663.8957 660.5800 16.62942 669.7529 16.91541 -9.172852      23.72064 
1 1 1 -14 3  4  o 287.9722 10.90750 2438.089       183.8826 2226.326       216.9129 2978.965       346.6641 274.9646 13.49230 317.6407 18.69159 -42.67606      23.05250 
1 1 1 -14 3  5  f 627.0696 11.39336 11545.52       419.0038 11139.53       576.7250 11999.39       609.7772 615.3538 15.99417 638.6391 16.29371 -23.28534      22.83196 
1 1 1 -14 3  6  o 242.6870 10.58370 1732.319       150.2758 1693.305       206.8039 1775.968       218.7425 239.5837 14.79017 245.3358 15.27856 -5.752151      21.26461 
1 1 1 -14 3  7  o 896.9169 15.01138 23644.73       789.6296 23514.58       1110.391 23777.88       1123.127 893.4158 21.19200 898.3792 21.31664 -4.963440      30.05828 
1 1 1 -14 3  8  o 458.6230 9.898275 6174.213       266.2354 6201.063       374.9920 6146.924       378.0541 459.1753 13.94108 457.1473 14.11783 2.027985       19.84104 
1 1 1 -14 3  9  o 763.9686 13.21991 17147.25       592.3175 17219.18       840.1699 17076.17       835.1794 764.8405 18.73034 761.6629 18.69677 3.177612       26.46497 
1 1 1 -14 3  10 o 791.2763 13.67266 18398.55       634.5003 18599.02       904.6333 18204.43       890.1791 794.7348 19.40885 786.2768 19.30418 8.458008       27.37435 
1 1 1 -14 3  11 o 289.8191 10.32228 2469.229       175.1698 2418.385       243.5624 2523.707       252.1138 286.4597 14.54521 292.6275 14.73776 -6.167847      20.70663 
1 1 1 -14 3  12 o 670.6314 12.01201 13211.56       472.4439 13031.18       664.6368 13395.79       671.6924 665.2274 17.04990 674.4847 16.99393 -9.257385      24.07265 
1 1 1 -14 3  13 o 588.2751 12.57481 10168.78       433.8427 10137.35       533.7047 10230.00       744.8983 586.8489 15.52050 588.4803 21.61989 -1.631409      26.61401 
1 1 1 -14 3  14 o 711.2116 12.31729 14863.54       513.7650 14700.44       721.8638 15030.96       731.3765 706.5643 17.42020 714.4575 17.45477 -7.893127      24.66034 
1 1 1 -14 3  15 o 685.5017 13.68843 13818.26       550.3167 13631.96       931.5539 13918.12       682.0527 678.6406 23.44068 687.4680 16.91667 -8.827393      28.90742 
1 1 1 -14 3  16 o 447.2329 12.35850 5884.753       323.8422 5530.862       435.2512 6323.607       484.6917 432.8902 17.17809 462.7971 17.89136 -29.90692      24.80297 
1 1 1 -14 3  17 o 118.7950 22.52903 431.2916       151.2190 653.3117       279.7617 339.6484       179.7389 144.9152 33.57596 105.0788 28.46626 39.83640       44.01900 
1 1 1 -14 3  18 o 257.3578 11.07256 1950.818       166.7318 2042.767       218.8976 1823.751       257.3247 262.9915 14.24535 247.9285 17.81599 15.06302       22.81095 
1 1 1 -14 3  19 o 521.1351 9.637360 7981.378       294.5500 7928.185       417.5142 8034.086       415.6054 518.6277 13.73876 522.1124 13.58425 -3.484741      19.32060 
1 1 1 -14 3  20 o 290.0965 7.659867 2473.385       130.2069 2457.027       185.9600 2489.118       182.3732 288.7870 10.99983 290.7039 10.71528 -1.916992      15.35622 
1 1 1 -14 3  21 o 495.8266 9.256746 7227.934       269.1775 7308.899       384.5545 7150.155       376.9094 497.7570 13.18477 492.3448 13.06475 5.412231       18.56141 
1 1 1 -14 3  22 o 363.2966 7.891497 3878.589       168.1401 3882.636       240.0962 3874.694       235.5412 362.9059 11.29457 362.5688 11.09013 0.3371277      15.82904 
1 1 1 -14 3  23 o 209.2734 7.743361 1288.935       94.87343 1284.210       135.4708 1293.483       132.9085 208.4869 11.11963 209.2754 10.86611 -0.7885284     15.54729 
1 1 1 -14 3  24 o 198.6743 8.047881 1162.477       93.57803 1074.298       131.0714 1254.152       133.6447 190.4933 11.78994 205.9817 11.10404 -15.48842      16.19575 
1 1 1 -14 3  25 o 400.0255 8.144319 4706.746       191.0702 4668.378       270.9109 4744.722       269.5226 397.5962 11.63056 400.8739 11.47583 -3.277649      16.33906 
1 1 1 -14 3  26 o 158.7741 8.724537 744.2329       80.92824 752.0139       115.6896 736.7768       113.2490 159.0464 12.50328 157.4410 12.36409 1.605408       17.58416 
1 1 1 -14 3  27 o 151.4121 10.30410 679.0495       90.95483 764.7378       122.4942 573.7499       135.7900 160.2473 13.14945 137.8135 17.17215 22.43387       21.62847 
1 1 1 -14 3  28 o 107.3130 12.77408 345.2656       78.81952 456.0818       111.5427 234.7473       111.3927 122.9328 15.83883 86.73035 21.89904 36.20246       27.02659 
1 1 1 -14 3  29 o 364.9968 8.217581 3920.363       175.9072 4030.641       254.4933 3819.475       243.4168 369.2312 11.76745 359.4705 11.56117 9.760773       16.49647 
1 1 1 -14 3  30 o 169.0065 9.946414 844.7636       98.15130 799.8193       140.8135 887.2344       136.8837 163.5686 14.84025 172.5880 13.63423 -9.019333      20.15255 
1 1 1 -14 3  31 o 103.7952 15.02513 326.1739       88.80579 304.6654       128.7620 345.6863       122.6421 98.65715 22.72287 105.6618 20.53111 -7.004616      30.62442 
1 1 1 -14 3  32 o 253.1888 8.295623 1889.620       123.0148 1958.556       181.0613 1830.518       167.6501 257.0379 12.04446 248.5892 11.53070 8.448685       16.67411 
1 1 1 -14 3  33 o 171.8091 9.132347 872.8539       91.68880 672.2990       279.3983 897.0588       97.06419 143.4201 33.77828 174.1159 9.541868 -30.69576      35.10013 
1 1 1 -14 3  34 o 240.5530 8.040928 1707.214       113.2809 1913.714       327.3739 1679.125       120.7397 249.6746 22.60187 238.4501 8.648129 11.22452       24.19989 
1 1 1 -14 3  35 f 193.9331 8.869967 1112.535       100.6174 1306.268       314.1203 1090.385       106.2137 203.4055 26.99799 191.8725 9.468052 11.53310       28.61006 
1 1 1 -14 3  36 o 46.22786 19.25478 17.84381       86.49985 246.2728       268.8564 -8.531440      91.35726 94.57358 35.61792 44.07010 19.11090 50.50348       40.42107 
1 1 1 -14 3  37 o 236.4370 8.662920 1654.444       119.9210 1190.366       313.5073 1733.984       129.7917 191.7082 28.77124 241.9301 9.164156 -50.22197      30.19547 
1 1 1 -14 3  38 o 136.8015 10.93172 560.3113       86.97689 434.1321       114.8410 730.0540       133.1983 118.4919 17.01289 155.0314 14.83026 -36.53956      22.56934 
1 1 1 -14 3  39 o 119.2813 12.28689 431.0641       84.72552 434.2236       115.9479 427.4442       124.1079 117.9428 17.27460 116.3652 18.82826 1.577599       25.55221 
1 1 1 -14 3  40 o 138.8937 11.83851 584.0337       95.51571 466.9787       134.0422 704.7838       136.1414 120.8072 19.58934 151.0159 15.59563 -30.20874      25.03929 
1 1 1 -14 3  41 o 103.7336 14.24313 333.9797       84.36605 384.6553       112.4628 268.7585       127.5863 109.7270 18.10715 89.00121 23.92881 20.72578       30.00762 
1 1 1 -14 3  42 o 126.4529 11.99769 488.0352       87.91237 394.4792       116.1222 613.6578       134.5592 110.5929 18.56037 139.4761 16.78698 -28.88317      25.02579 
1 1 1 -14 3  43 o 44.00237 19.26068 -3.637495      94.65461 6.028943       132.0966 -13.83847      135.6998 52.00526 22.75881 50.82871 22.61664 1.176556       32.08545 
1 1 1 -14 3  44 o 175.3376 10.11615 930.1692       103.5842 948.0672       148.5320 913.2225       144.5302 174.1158 14.68227 170.9604 14.55315 3.155426       20.67277 
1 1 1 -14 3  45 o 53.79098 21.60652 66.47650       104.1045 25.79776       147.9615 106.3564       146.5015 55.45479 24.18115 63.42039 25.57626 -7.965607      35.19763 
1 1 1 -14 3  46 o 100.2846 25.32841 369.5637       148.9831 0.000000       0.000000 369.5637       148.9831 ?        ?        100.2846 25.32841 0.000000       25.32841 
1 1 1 -14 3  47 o 102.9196 18.56879 355.6139       107.9581 354.6027       148.7984 356.7379       156.8729 97.26075 25.70308 96.63821 26.76272 0.6225433      37.10649 
1 1 1 -14 3  48 o 64.89098 23.38062 144.6366       113.7114 255.7726       174.0187 61.82177       150.2182 80.30182 28.92482 57.72289 24.76388 22.57893       38.07748 
1 1 1 -14 3  49 o 68.57130 24.23919 169.1229       121.6373 132.8748       178.6951 200.4198       166.0431 66.49435 27.68387 73.19836 27.89361 -6.704002      39.29950 
1 1 1 -14 4  1  o 634.4678 23.39860 11883.08       869.1713 0.000000       0.000000 11883.08       869.1713 ?        ?        634.4678 23.39860 0.000000       23.39860 
1 1 1 -14 4  2  o 857.6518 20.48670 21658.19       1030.465 23764.04       1549.173 19987.05       1380.043 895.9367 29.52335 821.8018 28.67749 74.13489       41.15856 
1 1 1 -14 4  3  o 525.6613 14.33367 8125.154       441.4772 7680.315       581.1301 8732.255       678.8943 510.4585 19.44722 544.0697 21.31760 -33.61121      28.85541 
1 1 1 -14 4  4  o 654.0754 13.56208 12568.14       520.2410 12941.00       645.4984 11877.03       878.8148 663.1978 16.60900 634.2189 23.66847 28.97888       28.91462 
1 1 1 -14 4  5  o 380.9891 9.357979 4260.192       209.0957 4197.889       292.4638 4325.336       299.0584 377.7970 13.22004 383.4876 13.31723 -5.690613      18.76481 
1 1 1 -14 4  6  o 466.4746 9.909091 6387.248       271.0893 6476.860       384.0741 6298.282       382.6860 469.2958 13.97017 462.7610 14.11703 6.534821       19.86092 
1 1 1 -14 4  7  o 58.81651 23.81519 42.12074       127.5929 153.5733       167.5800 -111.6050      196.8116 78.78057 28.38366 58.71308 26.58611 20.06749       38.89027 
1 1 1 -14 4  8  o 576.1625 10.93290 9746.897       369.4290 9896.278       525.3582 9600.777       519.5925 579.9860 15.45877 571.2472 15.52355 8.738831       21.90786 
1 1 1 -14 4  9  o 480.9141 10.27867 6789.849       289.9045 7093.027       414.0190 6498.200       406.0703 491.0508 14.39170 469.9537 14.75142 21.09714       20.60887 
1 1 1 -14 4  10 o 674.8475 12.17123 13377.12       481.7155 13908.46       698.6910 12895.71       665.0504 687.3076 17.34725 661.8256 17.14852 25.48199       24.39260 
1 1 1 -14 4  11 o 894.4137 15.09023 23521.74       791.5615 23354.78       1116.290 23690.60       1122.611 890.0251 21.38574 896.4083 21.35369 -6.383240      30.22135 
1 1 1 -14 4  12 o 203.2955 11.94257 1218.244       141.7617 1252.357       195.2870 1180.243       206.1134 205.6774 16.32339 199.4430 17.80842 6.234421       24.15767 
1 1 1 -14 4  13 o 709.9849 17.79072 14852.46       740.2031 15115.05       1075.543 14616.17       1020.255 714.3892 25.71291 702.7306 24.79420 11.65863       35.71983 
1 1 1 -14 4  14 o 713.6973 12.32364 14968.28       515.8265 14674.74       719.9250 15277.96       739.4440 705.9220 17.38922 720.2643 17.50503 -14.34235      24.67410 
1 1 1 -14 4  15 o 433.6950 12.27473 5532.775       311.8961 5754.747       439.5938 5307.759       442.5968 441.6922 17.00173 424.0376 17.83711 17.65466       24.64186 
1 1 1 -14 4  16 o 470.1128 9.284762 6490.428       255.9902 6362.808       360.3439 6620.458       363.7295 464.9243 13.22897 474.2703 13.08934 -9.345947      18.61012 
1 1 1 -14 4  17 o 329.3912 10.09399 3190.879       194.7658 3005.897       376.8386 3258.303       227.5086 318.2624 20.29496 332.6937 11.67822 -14.43130      23.41509 
1 1 1 -14 4  18 o 262.2645 10.69291 2025.327       164.1248 1938.522       215.6535 2144.812       253.0119 256.1349 14.41429 269.2168 16.09817 -13.08197      21.60839 
1 1 1 -14 4  19 o 261.0129 8.058207 2002.828       123.2056 1950.035       173.6222 2056.377       174.8625 257.2024 11.53950 264.1622 11.31312 -6.959778      16.16004 
1 1 1 -14 4  20 o 663.5136 11.47854 12956.89       446.6702 12980.89       635.2602 12933.43       628.1736 662.8927 16.34022 661.7254 16.18644 1.167297       23.00008 
1 1 1 -14 4  21 o 474.2258 9.035479 6611.481       251.2967 6565.876       357.5436 6656.003       353.2694 471.7829 12.93440 475.0647 12.69088 -3.281799      18.12063 
1 1 1 -14 4  22 o 268.3737 7.471896 2117.819       117.4893 1987.113       166.4805 2247.507       165.8314 259.5384 10.96201 276.1472 10.25725 -16.60880      15.01256 
1 1 1 -14 4  23 o 545.1760 9.865452 8748.465       315.4309 8814.706       450.7368 8684.888       441.5775 545.9920 14.08799 542.0126 13.90291 3.979431       19.79299 
1 1 1 -14 4  24 o 261.7905 7.574032 2016.256       116.1649 2047.070       167.1625 1987.479       161.5453 263.3369 10.84694 259.5023 10.63712 3.834534       15.19225 
1 1 1 -14 4  25 f 166.8808 8.498189 821.5071       82.89933 761.8724       114.8734 886.3164       119.7536 160.1553 12.32475 172.8832 11.88324 -12.72789      17.12048 
1 1 1 -14 4  26 o 128.7991 12.41873 494.6369       92.64641 448.3044       108.3094 620.9847       178.8575 121.9759 15.48937 142.2271 22.16460 -20.25127      27.04053 
1 1 1 -14 4  27 o 217.7376 7.718470 1396.283       98.40737 1328.465       142.4682 1458.164       136.0889 211.8091 11.51221 222.1166 10.47651 -10.30754      15.56561 
1 1 1 -14 4  28 o 121.7622 11.41051 441.4792       80.53394 433.7943       115.1274 448.8429       112.6959 119.6135 16.88020 121.8677 16.16608 -2.254219      23.37271 
1 1 1 -14 4  29 o 276.3433 8.050703 2248.777       130.3377 2377.673       192.3477 2139.346       177.2297 283.5289 11.59194 268.9859 11.25947 14.54297       16.16009 
1 1 1 -14 4  30 o 223.8777 13.00098 1487.608       169.9672 1750.117       323.0973 1387.167       199.8556 239.8984 23.25579 215.5064 15.92519 24.39197       28.18588 
1 1 1 -14 4  31 o 270.7252 8.293252 2159.391       131.5199 2143.930       190.9609 2173.342       181.4016 269.0310 12.13419 271.0248 11.43824 -1.993744      16.67549 
1 1 1 -14 4  32 o 261.0533 7.553930 2007.053       115.5303 1925.350       314.0374 2019.842       124.2434 251.8625 21.46454 261.7996 8.101710 -9.937134      22.94263 
1 1 1 -14 4  33 o 226.2194 8.043160 1509.166       106.5407 1525.749       306.9962 1506.896       113.6010 222.6819 23.87955 225.9597 8.587996 -3.277802      25.37690 
1 1 1 -14 4  34 o 341.6954 7.817849 3440.133       156.6668 3696.493       418.0932 3398.257       168.9787 348.7850 20.53004 339.3583 8.496982 9.426727       22.21893 
1 1 1 -14 4  35 o 320.4764 7.810676 3027.541       146.8031 3048.946       383.4214 3023.864       158.9123 316.0045 20.80440 320.0237 8.474364 -4.019257      22.46415 
1 1 1 -14 4  36 o 180.9234 9.559277 970.7052       101.0709 883.5069       296.8248 982.1414       107.4946 163.6941 32.06595 181.8674 10.11804 -18.17336      33.62439 
1 1 1 -14 4  37 o 267.1753 8.166891 2110.158       127.8184 2090.012       345.8751 2113.344       137.5559 258.8435 23.02409 267.2075 8.789644 -8.363983      24.64481 
1 1 1 -14 4  38 o 125.9593 13.12779 480.2336       95.55623 409.5747       274.3969 489.9852       101.9370 109.1462 36.48570 127.0052 13.91289 -17.85902      39.04836 
1 1 1 -14 4  39 o 204.0341 8.999129 1238.550       107.4197 1336.868       131.0612 1037.330       187.4969 211.4100 10.60442 182.9176 17.69870 28.49237       20.63244 
1 1 1 -14 4  40 o 171.1451 9.618019 876.2523       96.15010 820.5801       132.8849 937.4249       139.2950 163.8161 13.96449 175.3133 13.65547 -11.49722      19.53149 
1 1 1 -14 4  41 f 54.42848 20.37394 77.87203       87.68327 133.1527       117.1130 7.354453       132.2718 66.34962 23.74959 52.85030 22.95642 13.49933       33.03090 
1 1 1 -14 4  42 o 36.14783 16.93354 -77.15929      90.08421 -70.56886      123.3480 -84.69250      131.8757 44.24367 20.41207 44.92871 20.85967 -0.6850395     29.18525 
1 1 1 -14 4  43 o 90.07494 18.79809 267.4191       96.08976 251.9105       134.0453 283.8124       137.8160 84.54068 25.16846 89.56765 25.18826 -5.026970      35.60758 
1 1 1 -14 4  44 o 52.26900 20.99302 59.34614       98.26588 69.06561       133.3814 47.80837       145.3232 58.25975 24.05592 57.56989 24.51833 0.6898575      34.34873 
1 1 1 -14 4  45 o 45.69558 21.05398 -58.80309      130.6089 -490.2233      278.7703 62.53158       147.8389 49.62834 24.66601 58.84097 24.88064 -9.212627      35.03510 
1 1 1 -14 4  46 o 172.6091 10.93143 911.9927       110.0917 1004.367       146.1945 790.9900       167.3219 178.7722 14.05677 154.5200 18.85357 24.25220       23.51702 
1 1 1 -14 4  47 o 50.69513 21.13278 47.03011       104.3204 68.33340       153.6042 28.79165       142.1260 59.15277 25.20032 54.10994 23.64507 5.042831       34.55641 
1 1 1 -14 4  48 o 168.2230 11.93908 878.9465       117.0241 750.2323       165.5379 1007.534       165.4562 148.8000 19.43287 176.1633 16.19577 -27.36325      25.29702 
1 1 1 -14 4  49 o 86.31437 22.87706 273.0944       117.6577 343.5284       171.8946 211.0074       161.3881 91.69097 28.74026 74.41702 27.68355 17.27396       39.90465 
1 1 1 -14 5  1  o 335.9349 20.77555 3335.915       407.3127 0.000000       0.000000 3335.915       407.3127 ?        ?        335.9349 20.77555 0.000000       20.77555 
1 1 1 -14 5  2  o 680.8293 23.62461 13683.98       941.8782 13683.98       941.8782 0.000000       0.000000 680.8293 23.62461 ?        ?        0.000000       23.62461 
1 1 1 -14 5  3  o 838.7435 16.36370 20684.36       804.9354 19767.03       1330.818 21213.54       1010.787 817.4133 27.80091 848.7924 20.30522 -31.37903      34.42663 
1 1 1 -14 5  4  o 239.9562 10.63859 1693.680       149.3433 1591.065       196.0610 1835.511       230.5009 232.2413 14.46649 249.3737 15.84246 -17.13232      21.45374 
1 1 1 -14 5  5  o 829.1146 14.09699 20199.20       685.4750 20139.29       966.2774 20259.89       972.5692 827.0457 19.92149 829.5064 19.99172 -2.460754      28.22295 
1 1 1 -14 5  6  o 568.3779 10.87949 9484.858       362.6570 9586.199       514.4916 9384.782       511.2723 570.8491 15.38163 564.8079 15.44931 6.041260       21.80082 
1 1 1 -14 5  7  o 422.7162 9.834523 5245.241       243.8107 5297.881       339.7246 5189.333       350.1107 424.4102 13.66650 419.9813 14.23485 4.428925       19.73333 
1 1 1 -14 5  8  o 452.3886 10.25341 6008.154       272.0386 6019.284       381.8508 5996.684       387.6562 452.3269 14.41270 451.4505 14.66096 0.8764038      20.55893 
1 1 1 -14 5  9  o 815.3528 14.01112 19537.34       669.9911 19462.56       944.1832 19613.19       950.8734 812.9014 19.80468 816.0295 19.86856 -3.128174      28.05325 
1 1 1 -14 5  10 o 323.2382 10.25451 3070.659       194.1504 3045.513       262.2452 3101.158       288.8140 321.6072 13.93681 324.4099 15.22251 -2.802704      20.63879 
1 1 1 -14 5  11 o 63.39838 24.67715 73.02375       131.9273 71.57185       167.3835 75.40491       214.3581 68.99992 27.50455 76.45055 30.89956 -7.450638      41.36766 
1 1 1 -14 5  12 o 300.3217 9.522142 2650.525       167.5031 2702.543       228.4607 2590.058       246.3160 302.9883 12.88629 296.4771 14.20747 6.511261       19.18094 
1 1 1 -14 5  13 o 942.9993 15.65868 26162.59       865.9986 26558.12       1240.314 25786.37       1209.675 948.4918 22.29705 934.6729 22.06777 13.81885       31.37109 
1 1 1 -14 5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 5  15 o 500.9475 14.33545 7389.091       420.7337 7214.740       622.5168 7535.701       570.8496 493.7189 21.55104 505.0584 19.30768 -11.33954      28.93500 
1 1 1 -14 5  16 o 533.1459 10.03711 8350.315       313.8379 8203.489       445.4190 8495.071       442.2655 527.7356 14.40483 537.0969 14.05249 -9.361328      20.12391 
1 1 1 -14 5  17 o 283.7790 8.328435 2366.799       138.4599 2372.217       197.8546 2361.598       193.8312 283.7699 11.91507 283.1566 11.69722 0.6133728      16.69712 
1 1 1 -14 5  18 o 206.7072 9.723949 1258.376       117.5519 1234.009       171.4097 1280.011       161.5180 204.1612 14.40821 208.0932 13.30435 -3.931992      19.61128 
1 1 1 -14 5  19 o 242.4915 8.091791 1729.072       114.9166 1869.700       168.1340 1605.784       157.4272 251.8376 11.41339 233.3343 11.53985 18.50337       16.23064 
1 1 1 -14 5  20 o 530.1374 9.764885 8263.853       303.6030 8273.014       434.8248 8255.138       424.0952 529.4849 14.01497 528.9902 13.68138 0.4946289      19.58570 
1 1 1 -14 5  21 o 400.9422 8.323874 4724.507       195.7301 4915.790       288.0005 4560.325       266.8198 408.3049 12.04017 393.3348 11.57919 14.97006       16.70459 
1 1 1 -14 5  22 o 232.0597 7.653486 1584.191       104.0196 1747.287       152.3927 1441.915       142.3337 243.3664 10.70327 220.9927 11.01668 22.37370       15.35992 
1 1 1 -14 5  23 o 185.3450 8.075830 1011.862       87.57394 1051.125       125.7241 974.8574       122.0540 188.5006 11.42614 181.4932 11.52632 7.007370       16.22999 
1 1 1 -14 5  24 o 209.8674 7.777795 1296.695       95.56525 1282.960       139.9607 1308.692       130.8029 208.2603 11.50375 210.4766 10.63094 -2.216370      15.66375 
1 1 1 -14 5  25 o 67.50623 20.12467 138.0365       85.65720 387.4257       233.1880 99.13713       92.09558 111.0868 33.22574 60.62676 21.11733 50.46004       39.36866 
1 1 1 -14 5  26 o 538.7717 9.815546 8553.303       310.1486 8746.433       448.8780 8376.877       429.0277 543.2488 14.10088 531.7719 13.76813 11.47693       19.70777 
1 1 1 -14 5  27 o 257.1455 7.687498 1946.707       115.8048 1944.481       168.8632 1948.683       159.1165 256.4195 11.25623 256.8217 10.58681 -0.4022522     15.45261 
1 1 1 -14 5  28 f 204.3954 8.346622 1231.576       99.84304 1155.634       144.3520 1301.227       138.2447 197.3181 12.53885 209.6560 11.28480 -12.33789      16.86919 
1 1 1 -14 5  29 f 140.3354 11.35983 585.0996       92.69664 673.1209       133.8407 503.9532       128.5076 149.8164 15.45426 128.9689 17.43624 20.84755       23.29928 
1 1 1 -14 5  30 o 443.5438 9.010450 5793.665       234.3870 5856.979       338.4563 5735.319       324.9054 444.7530 12.98969 440.2324 12.59712 4.520599       18.09473 
1 1 1 -14 5  31 o 189.2535 8.539462 1056.712       94.53765 837.5097       288.1810 1083.147       100.0758 162.1723 31.43478 191.5565 8.932629 -29.38416      32.67931 
1 1 1 -14 5  32 o 215.5358 8.165388 1369.868       103.0293 1111.984       291.7690 1406.606       110.1236 188.7941 27.12935 218.3425 8.616788 -29.54839      28.46490 
1 1 1 -14 5  33 o 131.2534 11.93669 514.2787       90.88098 194.8287       281.3474 551.4940       96.02890 92.20982 35.99546 135.9088 12.17659 -43.69899      37.99924 
1 1 1 -14 5  34 f 49.25154 19.89301 34.96298       88.77924 407.1634       288.1625 -4.070442      93.31843 112.5573 37.38387 45.17722 19.45175 67.38010       42.14172 
1 1 1 -14 5  35 o 174.3215 9.760477 901.2394       99.38815 986.2327       307.7067 891.3395       105.0171 174.0672 31.29208 173.2299 10.38448 0.8373566      32.97016 
1 1 1 -14 5  36 o 32.67805 15.69354 -123.4958      87.37877 -495.0985      293.0110 -87.22392      91.54399 55.47419 27.12259 36.47940 17.08285 18.99479       32.05400 
1 1 1 -14 5  37 o 189.8462 10.07177 1071.567       111.7382 714.5310       319.3175 1121.386       119.2794 142.7268 37.62192 194.1020 10.51745 -51.37523      39.06438 
1 1 1 -14 5  38 o 140.3227 11.83806 591.9793       96.51454 914.0363       316.5592 558.9743       101.3394 162.2519 34.33934 136.0265 12.85545 26.22548       36.66678 
1 1 1 -14 5  39 o 34.60647 16.30005 -85.69833      85.47045 -257.8818      263.9773 -65.53390      90.33665 58.32182 27.80998 37.57736 17.38317 20.74446       32.79588 
1 1 1 -14 5  40 o 113.0144 14.78361 395.6447       95.63924 319.7789       135.8765 470.1368       134.6406 97.52697 23.93675 121.0827 19.63193 -23.55575      30.95773 
1 1 1 -14 5  41 o 66.49448 20.54773 143.0278       88.20581 267.3403       123.4946 13.56313       126.0277 88.85891 23.38428 52.34668 22.57248 36.51223       32.50140 
1 1 1 -14 5  42 o 93.90286 18.01607 285.5028       95.60993 213.3887       130.1310 370.0952       140.9407 79.03161 25.03782 104.1107 23.62622 -25.07909      34.42515 
1 1 1 -14 5  43 o 128.9498 13.33025 515.1130       99.35957 584.6596       139.6842 443.8855       141.3621 134.5580 18.16404 114.7090 21.80976 19.84904       28.38305 
1 1 1 -14 5  44 o 60.56993 21.82784 113.2428       99.11471 103.3498       134.4711 125.0105       146.6594 62.33429 24.71583 66.03666 25.92648 -3.702374      35.81975 
1 1 1 -14 5  45 o 88.11383 19.76660 263.3398       99.62667 325.6368       132.2379 181.5653       151.5064 95.62357 23.70019 72.72227 26.86526 22.90131       35.82515 
1 1 1 -14 5  46 o 115.0217 15.97077 427.3563       104.8322 326.1536       137.2673 568.9916       162.3892 94.45731 24.55489 127.6892 22.50673 -33.23184      33.30910 
1 1 1 -14 5  47 o 34.74284 16.76807 -131.3657      102.7032 -90.92713      150.0643 -166.9962      140.8607 46.34072 21.75527 40.52061 19.57651 5.820103       29.26656 
1 1 1 -14 5  48 o 139.6308 14.23475 621.1769       114.9401 552.9308       163.5326 687.8066       161.5845 123.8763 23.36606 141.8660 19.97317 -17.98967      30.73923 
1 1 1 -14 5  49 o 46.91769 20.92728 -2.925135      116.9165 99.66031       175.1794 -85.32388      157.0003 63.09295 26.89651 47.28107 22.21427 15.81188       34.88404 
1 1 1 -14 6  1  o 230.0148 15.06747 1561.604       202.1384 1892.287       246.1235 876.3185       354.3098 253.1303 16.67182 168.5280 36.87487 84.60231       40.46857 
1 1 1 -14 6  2  o 505.2690 11.60833 7496.509       343.9877 7148.358       549.3088 7721.116       441.2095 492.4635 19.05515 512.3624 14.69827 -19.89890      24.06528 
1 1 1 -14 6  3  o 397.4742 10.64223 4641.417       247.8569 4614.581       387.3652 4660.022       322.5216 395.7785 16.72623 398.0143 13.83792 -2.235718      21.70840 
1 1 1 -14 6  4  o 290.9814 13.14186 2492.323       223.6918 2645.377       279.2715 2218.360       373.6375 299.5393 15.95482 273.2708 23.54276 26.26852       28.43972 
1 1 1 -14 6  5  o 422.1158 9.920447 5230.359       245.5916 5236.665       340.8138 5223.548       354.2114 421.9438 13.79100 421.3609 14.35464 0.5828552      19.90596 
1 1 1 -14 6  6  o 708.1064 12.59819 14728.27       523.1873 14810.74       741.0746 14646.33       738.7281 709.2639 17.82986 705.3069 17.87335 3.957031       25.24600 
1 1 1 -14 6  7  o 286.0492 10.69942 2405.729       179.1782 2427.274       241.8553 2379.519       266.7645 287.0229 14.41388 284.0117 16.08123 3.011169       21.59551 
1 1 1 -14 6  8  o 750.9935 13.23128 16570.62       582.7586 16779.09       832.4691 16370.27       816.0660 754.9550 18.80168 745.4891 18.67995 9.465881       26.50365 
1 1 1 -14 6  9  f 759.3353 13.34950 16942.50       594.4961 17005.70       844.6845 16880.46       836.8590 759.9609 18.95190 757.1749 18.84541 2.786011       26.72684 
1 1 1 -14 6  10 o 637.2289 17.25351 11958.33       644.2042 11786.45       923.9813 12120.92       898.6321 631.1448 25.01177 640.2826 23.97327 -9.137756      34.64544 
1 1 1 -14 6  11 o 274.4615 10.15740 2214.807       163.2167 2285.218       224.1085 2135.276       238.1803 278.4926 13.76391 269.0369 15.15666 9.455688       20.47363 
1 1 1 -14 6  12 o 887.7593 14.87292 23178.06       774.3586 23380.33       1103.739 22982.00       1086.677 890.3035 21.13868 882.7231 20.99063 7.580383       29.79010 
1 1 1 -14 6  13 o 465.6636 9.491379 6366.645       259.2102 6147.023       363.3385 6594.278       369.9069 457.0623 13.56959 473.4395 13.33553 -16.37720      19.02551 
1 1 1 -14 6  14 o 564.1075 10.42039 9346.776       344.7436 9059.306       479.5380 9654.271       495.9588 554.7110 14.75338 572.6448 14.77995 -17.93378      20.88322 
1 1 1 -14 6  15 o 594.6938 10.77959 10391.15       375.9638 10429.04       536.9517 10354.71       526.5861 594.9705 15.40120 592.8887 15.15660 2.081787       21.60832 
1 1 1 -14 6  16 f 484.1346 11.00950 6888.928       312.5966 6951.082       386.9911 6772.234       530.2658 485.8329 13.59536 478.5762 18.92995 7.256683       23.30616 
1 1 1 -14 6  17 o 191.8185 11.54059 1085.859       129.2277 1021.696       158.2330 1214.370       223.9367 185.6709 14.64986 201.8371 19.14691 -16.16621      24.10855 
1 1 1 -14 6  18 o 543.3493 11.38804 8683.622       362.8931 7860.774       575.5088 9226.738       467.5614 515.2086 19.07960 559.4213 14.26276 -44.21277      23.82136 
1 1 1 -14 6  19 o 421.4624 8.654630 5219.131       213.9232 5082.712       305.2982 5350.717       299.8417 415.2781 12.54970 426.1855 12.00815 -10.90741      17.36924 
1 1 1 -14 6  20 o 101.3315 13.30324 307.7923       77.15157 265.1403       105.4724 356.8792       113.1493 92.80041 19.97153 108.3025 18.47645 -15.50204      27.20737 
1 1 1 -14 6  21 o 417.0357 8.450612 5112.195       206.6864 5071.872       294.7834 5151.186       289.8759 414.6868 12.13388 417.9773 11.83713 -3.290497      16.95136 
1 1 1 -14 6  22 o 55.67057 17.99408 89.34145       66.95918 104.0277       92.18446 72.93912       97.42161 61.65659 21.14386 57.14604 21.45798 4.510544       30.12487 
1 1 1 -14 6  23 f 409.0412 8.358504 4920.286       200.5147 4927.377       287.8652 4913.602       279.4626 408.5414 12.02751 408.0451 11.68996 0.4962158      16.77248 
1 1 1 -14 6  24 o 235.2950 7.722797 1629.532       106.4263 1573.205       152.1003 1683.563       148.9677 230.6994 11.27588 238.7703 10.66495 -8.070923      15.52052 
1 1 1 -14 6  25 o 67.14272 17.31646 139.1412       68.63168 179.6707       98.04614 100.2025       96.10272 76.29653 21.16870 61.32690 21.55672 14.96964       30.21268 
1 1 1 -14 6  26 o 286.6334 7.624601 2418.061       128.0585 2380.937       186.9458 2450.880       175.7743 283.8105 11.25378 288.1179 10.41958 -4.307404      15.33673 
1 1 1 -14 6  27 o 379.8519 10.98314 4261.325       244.4191 4085.355       333.4532 4465.648       359.3152 370.6560 15.37295 387.3840 15.84898 -16.72800      22.07981 
1 1 1 -14 6  28 o 364.8748 9.029550 3920.661       193.2237 3739.286       315.4070 4029.625       244.4695 354.6417 15.19986 369.2968 11.30082 -14.65512      18.94054 
1 1 1 -14 6  29 o 52.00210 19.72452 58.48129       82.79018 1.936490       120.4302 109.1493       114.0003 52.20537 22.27938 65.07338 23.41490 -12.86801      32.32072 
1 1 1 -14 6  30 o 256.5497 7.610143 1937.685       114.3759 1899.663       347.3721 1942.308       121.1302 249.6620 24.02033 256.7952 8.052899 -7.133240      25.33427 
1 1 1 -14 6  31 o 155.5149 9.942417 716.0690       90.20565 836.1819       287.3804 702.9413       95.00736 161.9831 31.38446 153.9778 10.58520 8.005280       33.12145 
1 1 1 -14 6  32 o 88.77589 16.41418 242.1986       82.31331 396.6261       272.8067 226.7315       86.33712 112.1431 36.32653 85.55524 17.78763 26.58783       40.44770 
1 1 1 -14 6  33 o 482.6170 8.613920 6866.745       243.8114 6509.236       553.1357 6952.953       271.6213 463.8177 20.38430 485.3428 9.542558 -21.52509      22.50734 
1 1 1 -14 6  34 o 342.0630 7.761747 3447.870       155.7099 3143.525       402.9532 3501.292       168.8237 320.7886 21.54322 344.5700 8.354212 -23.78146      23.10634 
1 1 1 -14 6  35 o 321.4827 7.647466 3046.360       144.1869 3219.600       389.7062 3018.884       155.2005 324.7430 20.56762 319.7820 8.282361 4.960907       22.17261 
1 1 1 -14 6  36 o 221.3928 9.028979 1451.099       116.9878 1309.586       332.7235 1471.062       124.9672 201.6915 28.95778 222.7785 9.587160 -21.08702      30.50355 
1 1 1 -14 6  37 o 239.0229 8.727801 1691.965       122.1420 1569.357       370.1148 1706.950       129.3909 219.4071 29.51068 239.9463 9.211842 -20.53923      30.91502 
1 1 1 -14 6  38 f 157.1387 10.51931 738.1843       96.38567 634.5139       306.3721 749.5722       101.5416 132.2176 37.68335 158.2076 11.01250 -25.98994      39.25952 
1 1 1 -14 6  39 o 43.70573 18.59155 8.834682       83.38387 -573.4301      279.5862 65.68193       87.35952 50.04201 24.84281 52.81700 20.20665 -2.774990      32.02303 
1 1 1 -14 6  40 o 57.66444 19.82944 99.07011       81.09534 119.2906       112.8523 77.47984       116.6123 64.13189 23.26687 58.55683 23.07936 5.575062       32.77200 
1 1 1 -14 6  41 o 174.9415 9.805170 918.5872       100.1975 1009.557       139.9462 822.9081       143.5228 181.7524 13.21933 162.9406 15.19416 18.81187       20.13984 
1 1 1 -14 6  42 o 129.3782 14.05466 518.9598       104.9314 356.4266       163.7330 632.2402       136.6917 99.90231 27.21341 141.3721 16.81560 -41.46981      31.98960 
1 1 1 -14 6  43 o 52.49561 20.87609 61.98958       96.20454 77.25965       135.1437 46.30117       136.9824 59.64209 24.37512 56.52670 23.92811 3.115383       34.15700 
1 1 1 -14 6  44 o 69.88086 21.48944 165.9906       96.61703 221.8742       135.4086 108.0320       137.8997 78.95423 25.59427 63.14882 25.03209 15.80541       35.80045 
1 1 1 -14 6  45 o 41.25735 18.75583 -35.79268      99.13908 -154.1391      131.1289 122.1137       151.4679 39.69835 19.10610 65.38104 26.13013 -25.68269      32.37016 
1 1 1 -14 6  46 o 54.62218 21.56387 77.91190       101.9502 99.15743       139.3950 53.47681       149.4928 61.19506 24.85055 57.52606 24.69215 3.668999       35.03216 
1 1 1 -14 6  47 o 89.58796 21.23410 282.2337       109.8530 302.3475       160.0465 264.3165       151.0544 87.94220 27.75512 82.92744 27.04346 5.014763       38.75172 
1 1 1 -14 6  48 f 68.37935 23.99978 167.0325       119.0895 160.4647       167.5389 173.7400       169.3110 68.91470 27.50179 70.43111 27.79406 -1.516403      39.10062 
1 1 1 -14 6  49 o 62.94489 23.89251 131.9725       121.5292 340.9560       180.2618 -42.16284      164.5475 90.26611 29.54921 50.98106 23.54016 39.28504       37.77956 
1 1 1 -14 7  1  o 325.3807 25.00262 3142.697       473.4644 0.000000       0.000000 3142.697       473.4644 ?        ?        325.3807 25.00262 0.000000       25.00262 
1 1 1 -14 7  2  o 1151.719 21.78706 39088.75       1471.620 37160.11       2429.588 40206.37       1849.496 1117.144 37.13444 1166.523 27.03395 -49.37927      45.93258 
1 1 1 -14 7  3  o 312.0414 19.43457 2877.522       353.8966 0.000000       0.000000 2877.522       353.8966 ?        ?        312.0414 19.43457 0.000000       19.43457 
1 1 1 -14 7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7  5  o 559.0344 12.30940 9179.179       403.5764 8999.669       655.4964 9288.764       512.1555 552.4074 20.26736 561.8755 15.55713 -9.468079      25.54976 
1 1 1 -14 7  6  o 733.2953 12.97932 15797.09       558.1892 15587.66       780.8582 16015.93       798.2259 727.5283 18.31543 737.4343 18.47115 -9.906006      26.01227 
1 1 1 -14 7  7  f 230.6124 11.90217 1566.104       160.4306 1574.350       208.4675 1554.128       251.2379 230.8844 15.48501 228.9929 18.87481 1.891510       24.41401 
1 1 1 -14 7  8  o 154.8993 16.50826 713.7168       147.6608 550.2845       187.7054 979.0579       239.1719 134.4389 24.71737 180.7326 23.09108 -46.29366      33.82523 
1 1 1 -14 7  9  o 529.7026 10.74293 8239.126       333.7377 8358.198       470.2576 8118.297       473.7141 532.9528 15.06026 525.2009 15.39605 7.751831       21.53717 
1 1 1 -14 7  10 o 1064.955 17.57973 33384.43       1097.979 33376.19       1553.719 33392.66       1551.835 1062.776 24.92760 1063.050 24.89095 -0.2741699     35.22705 
1 1 1 -14 7  11 o 190.3144 12.15944 1068.453       135.0075 1038.759       175.9477 1110.967       210.5318 187.2023 16.18469 193.2997 18.80858 -6.097397      24.81344 
1 1 1 -14 7  12 o 899.8186 15.05611 23816.34       794.5444 24061.07       1134.485 23580.73       1113.130 903.0013 21.42200 893.9922 21.23057 9.009155       30.16022 
1 1 1 -14 7  13 f 417.5078 11.04564 5124.237       270.2243 4796.919       518.8268 5246.082       316.5493 402.4276 22.06732 422.2678 12.79689 -19.84018      25.50935 
1 1 1 -14 7  14 o 145.1863 24.66259 641.0248       202.4931 1156.184       336.3615 348.1972       253.5955 194.8970 30.42059 109.0705 34.99684 85.82641       46.37016 
1 1 1 -14 7  15 o 570.4064 10.50641 9559.890       351.4707 9933.683       514.6036 9233.066       481.1868 580.6385 15.12469 559.8542 14.66772 20.78430       21.06889 
1 1 1 -14 7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 7  17 o 334.8256 8.257680 3292.424       162.1538 3192.933       230.3821 3390.101       228.2727 329.2405 11.95105 339.3233 11.48726 -10.08276      16.57663 
1 1 1 -14 7  18 o 435.5197 11.93580 5585.812       304.5790 5461.651       416.6402 5728.327       446.3751 429.8024 16.55980 440.0153 17.33133 -10.21292      23.97086 
1 1 1 -14 7  19 o 400.4510 8.441765 4711.739       198.2591 4659.823       285.3908 4760.162       275.6255 397.6165 12.25304 401.9678 11.70416 -4.351379      16.94474 
1 1 1 -14 7  20 o 172.7198 9.142179 879.5156       92.27689 795.0281       128.5835 969.2325       132.5032 163.6423 13.51846 180.9283 12.56540 -17.28603      18.45638 
1 1 1 -14 7  21 o 226.9457 7.907087 1515.440       105.0812 1498.182       149.6463 1532.227       147.5895 225.2407 11.36513 227.8312 11.07888 -2.590515      15.87160 
1 1 1 -14 7  22 o 326.3928 7.792972 3131.239       149.1744 3153.562       218.9260 3111.892       203.8127 326.9178 11.43610 324.8719 10.71180 2.045807       15.66930 
1 1 1 -14 7  23 o 400.1312 8.357991 4708.670       196.1349 4580.112       280.2398 4832.106       274.5994 393.8068 12.14831 404.6343 11.58333 -10.82751      16.78556 
1 1 1 -14 7  24 o 111.9192 11.84619 373.7274       76.57704 393.4462       106.4235 352.5568       110.2715 114.0121 16.38624 107.4286 18.14798 6.583504       24.45114 
1 1 1 -14 7  25 o 132.3443 10.60147 519.7137       81.59759 609.6708       118.6080 438.8802       112.4324 142.7663 14.36057 120.4944 16.33006 22.27184       21.74619 
1 1 1 -14 7  26 o 370.1250 8.126034 4030.914       176.3914 4274.110       265.2728 3838.157       236.1668 380.1994 11.91152 360.4466 11.18544 19.75275       16.34008 
1 1 1 -14 7  27 o 287.2984 9.215738 2433.676       155.0785 2553.501       201.6994 2260.427       242.5310 293.8019 11.72933 275.6056 15.06200 18.19635       19.09034 
1 1 1 -14 7  28 o 125.6015 12.11587 470.3689       88.14195 572.5452       125.5233 370.9825       123.7977 137.9717 15.79705 109.7358 19.97147 28.23589       25.46383 
1 1 1 -14 7  29 o 98.42277 15.13347 293.8568       84.56111 672.0930       354.1195 270.9849       87.08030 143.1541 40.41736 94.17715 16.35937 48.97691       43.60266 
1 1 1 -14 7  30 f 360.5201 7.663189 3823.455       162.0278 3785.422       431.6229 3829.694       174.8125 354.5808 20.84775 360.7212 8.263238 -6.140381      22.42565 
1 1 1 -14 7  31 o 158.6266 9.936601 745.0017       91.97661 385.6393       309.0577 779.9225       96.34190 112.6930 38.71232 162.2788 10.17405 -49.58584      40.02692 
1 1 1 -14 7  32 o 195.2098 8.955420 1125.619       102.2538 860.5416       309.4986 1158.099       108.3374 162.9217 33.51057 197.9464 9.358622 -35.02467      34.79285 
1 1 1 -14 7  33 f 238.7841 8.034182 1681.935       112.3514 1618.090       324.0562 1690.658       119.7809 228.6711 24.54725 239.3099 8.548197 -10.63879      25.99306 
1 1 1 -14 7  34 o 151.4900 10.48623 682.2480       92.59023 952.0827       302.9079 654.4376       97.24464 171.2616 31.31130 148.1971 11.27317 23.06444       33.27885 
1 1 1 -14 7  35 o 293.7182 7.945966 2546.015       136.7505 2351.774       380.4904 2574.827       146.5423 275.3831 23.79207 295.2482 8.471773 -19.86505      25.25536 
1 1 1 -14 7  36 o 175.3050 9.942057 912.9874       101.7975 1028.912       324.6766 900.3491       107.2030 176.0624 32.64549 173.9398 10.55864 2.122543       34.31054 
1 1 1 -14 7  37 o 238.2050 8.421903 1679.726       117.4702 1440.845       344.5121 1711.154       124.9587 210.4269 28.66014 240.2990 8.882023 -29.87210      30.00490 
1 1 1 -14 7  38 f 103.6345 17.85434 337.3307       104.6010 2.819878       304.9106 381.9491       111.3588 76.82600 34.05885 110.4434 17.79704 -33.61735      38.42837 
1 1 1 -14 7  39 o 184.4345 9.228410 1014.573       99.50333 1048.099       313.9064 1010.828       104.9136 172.6900 32.17794 183.9093 9.761940 -11.21931      33.62611 
1 1 1 -14 7  40 o 72.69366 19.44651 172.3005       84.52441 271.8101       287.1692 162.8618       88.44224 91.67046 36.19070 70.67665 20.27999 20.99381       41.48548 
1 1 1 -14 7  41 o 176.3509 13.72820 954.2303       140.8670 0.000000       0.000000 954.2303       140.8670 ?        ?        176.3509 13.72820 0.000000       13.72820 
1 1 1 -14 7  42 o 54.33018 20.76651 75.92557       92.21188 192.5798       123.4936 -71.07622      138.6294 75.40915 24.44207 47.03492 21.67819 28.37423       32.67045 
1 1 1 -14 7  43 o 62.94218 20.81923 128.7471       89.39624 168.1701       124.5870 86.90826       128.3476 70.91750 24.56956 59.91742 24.01708 11.00008       34.35817 
1 1 1 -14 7  44 o 96.56882 17.43736 304.6989       95.12369 321.4611       130.9954 286.0000       138.3566 95.52135 23.53788 88.97863 25.31163 6.542717       34.56458 
1 1 1 -14 7  45 o 85.96619 20.68577 254.6865       103.0215 239.2974       140.1081 272.8005       152.0069 80.72503 26.02342 85.30303 27.06501 -4.578003      37.54642 
1 1 1 -14 7  46 o 33.08493 16.09046 -147.6224      99.32914 -72.83857      138.7004 -226.3543      142.3145 45.71576 21.28187 38.12715 18.69560 7.588612       28.32743 
1 1 1 -14 7  47 o 90.86913 21.50101 291.9274       112.7854 361.8577       162.9260 227.5806       156.2864 96.31356 27.48997 77.40041 27.46447 18.91315       38.85867 
1 1 1 -14 7  48 o 117.5842 18.46300 465.7106       123.1311 511.3218       176.5568 422.5201       171.8077 115.5916 26.59714 103.4151 27.75176 12.17651       38.43914 
1 1 1 -14 7  49 o 51.59970 22.69673 23.26787       132.8960 185.6781       206.4286 -91.69064      173.6736 72.12364 29.86733 49.17842 23.18562 22.94522       37.81046 
1 1 1 -14 8  1  o 472.4718 11.73869 6555.549       325.2714 6827.155       519.0430 6379.904       417.3996 481.2961 18.42227 465.6110 15.30625 15.68506       23.95123 
1 1 1 -14 8  2  o 184.1460 17.68435 1006.780       188.6411 1012.055       206.7444 980.5559       460.9791 184.4003 19.40772 177.5793 44.38766 6.820938       48.44506 
1 1 1 -14 8  3  o 477.6681 14.73054 6712.706       412.1696 7577.790       548.8263 5593.635       624.2155 507.0813 18.48563 434.6582 24.58730 72.42310       30.76124 
1 1 1 -14 8  4  o 176.2243 15.09943 919.5577       154.5522 779.8836       200.1912 1125.628       243.1616 161.2394 21.72218 194.2348 21.71732 -32.99535      30.71636 
1 1 1 -14 8  5  o 259.2804 11.83511 1978.477       179.4923 2301.147       249.5438 1632.585       258.3669 279.3558 15.28965 234.7371 18.92778 44.61870       24.33176 
1 1 1 -14 8  6  o 407.3200 11.12852 4875.524       265.5928 4923.434       403.4619 4838.886       352.8210 408.7541 16.86646 405.4453 14.86303 3.308716       22.48081 
1 1 1 -14 8  7  o 328.4702 10.85767 3171.594       208.8748 2935.784       295.6552 3406.572       295.1327 315.5384 16.02905 340.0842 14.83290 -24.54575      21.83908 
1 1 1 -14 8  8  o 402.5828 10.05520 4758.342       237.4086 4778.408       328.3678 4736.366       343.6461 402.9698 13.91521 401.1169 14.63249 1.852936       20.19264 
1 1 1 -14 8  9  o 322.8674 10.09013 3063.647       190.8261 3151.790       262.0116 2964.077       278.4783 327.1812 13.68490 317.1371 15.01512 10.04416       20.31577 
1 1 1 -14 8  10 o 422.5744 9.738186 5242.757       241.3414 5351.619       342.3427 5135.203       340.2831 426.4643 13.70542 417.7214 13.90943 8.742828       19.52718 
1 1 1 -14 8  11 o 199.3365 11.18120 1170.808       130.1912 1160.904       168.9191 1185.298       204.3303 198.1474 14.63921 199.8658 17.61184 -1.718399      22.90160 
1 1 1 -14 8  12 o 92.12069 33.33719 210.9097       231.4920 87.17123       376.2180 286.3032       293.6663 97.58388 40.35751 105.3550 37.61978 -7.771172      55.17224 
1 1 1 -14 8  13 o 196.6322 19.71548 1151.920       224.2953 1020.382       352.3034 1241.576       290.8583 182.0429 34.25517 203.3066 24.91390 -21.26367      42.35704 
1 1 1 -14 8  14 o 459.9712 14.45933 6232.770       389.5735 6745.615       613.2217 5885.723       504.4500 477.1321 21.97333 446.1558 19.32468 30.97629       29.26210 
1 1 1 -14 8  15 o 567.2729 12.18607 9463.342       405.4208 9974.313       513.4200 8616.996       660.7673 581.7571 15.06073 539.4207 20.92643 42.33649       25.78257 
1 1 1 -14 8  16 o 159.0147 10.62882 746.5447       98.55345 659.2322       133.4426 851.3175       146.1776 148.7621 15.52323 169.3474 14.86889 -20.58525      21.49546 
1 1 1 -14 8  17 o 571.8248 10.41600 9612.873       349.3126 9470.171       494.3932 9755.125       493.6131 566.6202 14.89040 575.1421 14.64585 -8.521912      20.88600 
1 1 1 -14 8  18 o 181.4175 10.52854 971.1555       111.5393 1054.779       146.1182 854.3860       172.6655 188.7599 13.28392 169.1035 17.67066 19.65636       22.10690 
1 1 1 -14 8  19 o 235.0836 8.121986 1625.639       111.8104 1580.245       158.0437 1671.126       158.2042 231.3844 11.68424 238.0017 11.36696 -6.617325      16.30120 
1 1 1 -14 8  20 o 146.7522 10.04547 636.5631       85.93661 609.1785       118.5643 666.8727       124.7359 142.9462 14.33594 149.6163 14.39286 -6.670105      20.31436 
1 1 1 -14 8  21 o 348.4261 7.980959 3568.235       163.0858 3509.461       234.6439 3623.161       226.8309 344.9036 11.61666 350.5527 11.04691 -5.649109      16.03063 
1 1 1 -14 8  22 o 319.7116 7.805080 3004.645       146.3478 3139.457       214.7114 2887.668       200.0046 326.1898 11.24045 312.8759 10.91650 13.31390       15.66900 
1 1 1 -14 8  23 o 208.6187 7.995810 1281.633       97.64760 1178.759       138.5256 1383.236       137.6676 199.5348 11.89146 216.3634 10.88414 -16.82864      16.12053 
1 1 1 -14 8  24 o 119.7302 15.02595 431.3146       103.1930 113.0044       272.4435 484.6301       111.5007 85.61393 34.75090 126.9681 15.28062 -41.35413      37.96212 
1 1 1 -14 8  25 o 154.0987 15.91976 712.3825       141.8063 548.9590       286.1498 765.5822       163.2641 130.4715 36.15035 159.3824 17.76805 -28.91095      40.28091 
1 1 1 -14 8  26 o 55.44744 19.11588 83.84669       75.37990 197.8186       108.5315 -22.37065      104.7743 79.92318 22.30816 46.14210 20.22890 33.78108       30.11416 
1 1 1 -14 8  27 o 151.2552 11.49840 679.3319       101.2353 762.0192       127.1711 536.2800       167.2692 159.8507 13.69700 131.8146 22.44052 28.03610       26.29039 
1 1 1 -14 8  28 o 169.1772 9.363173 845.6436       92.53762 504.0964       338.3148 873.2632       96.20647 126.0440 40.41999 171.8959 9.580979 -45.85198      41.53999 
1 1 1 -14 8  29 o 277.7618 11.39917 2281.525       185.2987 1959.339       413.6978 2362.385       207.2508 251.7891 28.51678 282.4012 12.54482 -30.61206      31.15412 
1 1 1 -14 8  30 o 183.6499 8.918689 995.6663       95.77270 783.2559       332.3392 1014.904       100.0157 154.8160 37.08995 185.3762 9.228499 -30.56027      38.22080 
1 1 1 -14 8  31 o 217.1399 8.124700 1390.107       103.2835 1467.198       348.7719 1382.697       108.1337 216.9926 28.06253 216.4994 8.533068 0.4931335      29.33119 
1 1 1 -14 8  32 o 324.8067 7.640859 3105.855       145.5518 2911.126       405.4682 3134.659       155.9459 309.0901 22.52225 326.2209 8.151014 -17.13086      23.95184 
1 1 1 -14 8  33 o 166.9927 9.674710 826.3690       94.34581 429.8797       328.4593 862.0231       98.49651 116.1478 39.90859 170.5291 9.890987 -54.38132      41.11602 
1 1 1 -14 8  34 o 204.5719 8.531897 1236.897       102.1381 1363.452       350.4271 1225.147       106.7742 206.3365 29.82227 203.5127 8.967924 2.823837       31.14147 
1 1 1 -14 8  35 f 345.7161 7.891702 3524.914       160.0077 3471.622       424.4772 3533.740       172.7511 336.2842 21.63756 345.9868 8.513551 -9.702576      23.25219 
1 1 1 -14 8  36 f 240.5221 8.514380 1711.375       119.9149 1640.583       361.4296 1720.132       127.1150 226.2651 27.82184 241.0118 9.008929 -14.74673      29.24407 
1 1 1 -14 8  37 o 79.57061 19.68000 201.7238       91.32262 338.7071       354.3072 191.9757       94.51616 105.2296 40.58189 77.55340 20.48051 27.67617       45.45702 
1 1 1 -14 8  38 o 345.7224 7.805551 3537.099       158.2638 3189.579       416.2947 3595.813       171.1116 317.2799 22.51849 348.3400 8.375789 -31.06006      24.02574 
1 1 1 -14 8  39 o 134.8175 11.81667 550.1600       92.48743 331.3592       314.2892 570.9041       96.77245 98.74033 38.18344 137.2330 12.14921 -38.49268      40.06967 
1 1 1 -14 8  40 o 60.55149 20.55660 112.1311       87.09538 258.9958       299.9229 98.60572       91.01755 90.81738 36.60555 58.45238 20.93540 32.36499       42.16939 
1 1 1 -14 8  41 o 56.95584 23.03567 65.70935       119.2239 298.2951       296.8089 20.96114       130.1887 92.68864 36.72985 53.64303 23.03440 39.04560       43.35511 
1 1 1 -14 8  42 o 45.84611 19.58763 14.26700       93.27653 188.0992       130.1438 -169.3495      133.7563 74.63378 25.12925 39.95017 19.24484 34.68361       31.65190 
1 1 1 -14 8  43 o 59.15963 20.75563 108.7033       89.06403 118.3737       122.1947 97.74350       130.0865 63.36014 23.97901 61.37988 24.31844 1.980263       34.15230 
1 1 1 -14 8  44 o 95.73730 17.55938 300.3285       94.95967 253.4144       129.0742 355.6798       140.2013 84.09240 24.61012 100.0617 24.16565 -15.96934      34.49110 
1 1 1 -14 8  45 o 61.92316 21.78346 125.0913       98.14868 199.8150       135.3514 42.22754       142.5333 74.67261 25.62003 55.88924 24.05168 18.78337       35.14071 
1 1 1 -14 8  46 o 49.01735 20.59691 37.92556       100.2975 92.61390       137.3152 -24.61989      146.8484 60.12699 24.57136 50.44838 22.89189 9.678608       33.58259 
1 1 1 -14 8  47 o 123.1312 16.63529 496.4362       117.0592 421.8596       170.6684 562.6872       160.8600 104.0602 27.54002 126.0391 22.59154 -21.97894      35.62064 
1 1 1 -14 8  48 o 100.6031 22.02028 361.8201       126.3086 465.4049       185.0696 271.4999       172.8141 107.5380 28.77847 82.01229 28.90051 25.52573       40.78528 
1 1 1 -14 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 9  2  o 834.9847 20.49340 20539.70       1003.559 21491.87       1416.451 19579.96       1422.060 851.8483 28.39200 812.5927 29.89063 39.25555       41.22567 
1 1 1 -14 9  3  o 169.7776 15.39976 854.3896       151.6700 854.2868       190.1313 854.5695       251.5095 169.2176 19.51538 168.0845 26.38165 1.133102       32.81527 
1 1 1 -14 9  4  o 392.9076 16.55878 4548.949       380.7102 4548.949       380.7102 0.000000       0.000000 392.9076 16.55878 ?        ?        0.000000       16.55878 
1 1 1 -14 9  5  o 490.4061 11.74155 7063.543       337.7004 6834.554       517.8728 7232.950       445.4326 481.4919 18.37305 495.7387 15.33916 -14.24689      23.93447 
1 1 1 -14 9  6  o 947.4704 18.30570 26428.11       1017.191 25343.43       1676.498 27060.05       1279.641 923.9352 30.98317 957.6962 22.78294 -33.76099      38.45802 
1 1 1 -14 9  7  o 318.9855 10.83690 2991.430       202.4396 2961.799       280.9305 3023.436       291.9744 317.0099 15.15427 320.2522 15.59227 -3.242249      21.74329 
1 1 1 -14 9  8  o 653.6321 11.90553 12550.40       456.3862 12486.79       643.7490 12614.68       647.1193 651.1763 16.87071 654.5043 16.87267 -3.328003      23.86017 
1 1 1 -14 9  9  o 234.0645 10.63735 1612.214       145.6408 1552.232       190.3504 1696.910       226.1895 229.3353 14.22246 239.6081 16.19117 -10.27287      21.55069 
1 1 1 -14 9  10 o 510.8003 10.18234 7661.842       305.0346 7553.367       427.4870 7774.365       435.3898 506.6127 14.40248 513.9694 14.45847 -7.356628      20.40781 
1 1 1 -14 9  11 o 426.5348 9.508505 5341.852       237.8577 5639.867       344.9147 5071.607       328.4520 437.7830 13.44986 415.1141 13.50929 22.66885       19.06304 
1 1 1 -14 9  12 o 365.1970 8.995662 3915.797       192.6686 4051.535       276.9667 3788.521       268.1940 371.0211 12.74747 358.7595 12.76697 12.26154       18.04144 
1 1 1 -14 9  13 o 395.8236 14.22270 4616.071       329.6307 4396.464       481.7732 4809.364       451.9876 385.1223 21.41445 403.2728 19.16557 -18.15051      28.73843 
1 1 1 -14 9  14 o 431.5690 14.33884 5488.701       362.4194 5659.288       558.5018 5364.620       476.3274 436.8171 21.87046 425.8381 19.12140 10.97906       29.05074 
1 1 1 -14 9  15 o 291.8340 12.06003 2509.144       205.9670 2509.144       205.9670 0.000000       0.000000 291.8340 12.06003 ?        ?        0.000000       12.06003 
1 1 1 -14 9  16 o 174.7944 9.795414 900.6848       100.0138 817.1089       134.7688 1003.136       149.2133 165.9812 13.97426 184.0321 13.92836 -18.05095      19.73015 
1 1 1 -14 9  17 o 356.6364 8.329773 3736.194       174.2245 3668.479       250.6838 3799.461       242.3109 352.8392 12.13237 359.1754 11.51802 -6.336182      16.72899 
1 1 1 -14 9  18 o 427.2230 11.66549 5376.625       292.0126 5291.261       401.6199 5472.370       425.3363 422.9172 16.22241 429.9444 16.90116 -7.027130      23.42682 
1 1 1 -14 9  19 o 698.4212 12.04789 14369.10       493.4908 14160.92       693.7861 14582.29       702.0908 691.7534 17.10109 701.9875 17.05349 -10.23419      24.15096 
1 1 1 -14 9  20 o 534.5403 9.857633 8407.271       309.0321 8385.785       441.2988 8427.947       432.8971 532.7209 14.13730 534.1466 13.83054 -1.425659      19.77744 
1 1 1 -14 9  21 o 217.2085 8.308287 1389.150       105.6422 1489.241       153.5217 1299.130       145.5945 224.4701 11.70208 209.5842 11.89385 14.88593       16.68539 
1 1 1 -14 9  22 o 48.90906 18.40151 52.63042       71.72176 3.724907       96.34510 113.4202       107.4153 47.17945 20.02347 65.10027 22.79730 -17.92083      30.34232 
1 1 1 -14 9  23 o 178.5140 8.730741 939.9222       91.12860 959.7498       131.5133 921.6094       126.3900 179.8427 12.54755 176.2562 12.30420 3.586517       17.57368 
1 1 1 -14 9  24 o 276.5596 7.753571 2251.191       125.6355 2404.381       190.9907 2134.342       166.8057 285.2086 11.44146 268.8434 10.60017 16.36520       15.59714 
1 1 1 -14 9  25 o 346.8683 8.127229 3540.141       165.3323 3528.501       245.9108 3549.744       223.3450 345.3664 12.15976 346.6805 10.99882 -1.314117      16.39616 
1 1 1 -14 9  26 o 184.1834 11.31854 1005.146       121.6715 1080.245       315.4164 992.0173       131.8784 185.5808 30.00345 182.7876 12.37497 2.793243       32.45530 
1 1 1 -14 9  27 o 373.8648 7.584497 4111.071       166.2999 3541.632       444.5099 4203.744       179.3221 342.4550 22.25286 377.9771 8.089430 -35.52219      23.67760 
1 1 1 -14 9  28 o 279.9950 10.11616 2314.088       165.8449 3116.748       423.5468 2168.738       180.2365 321.0375 22.64068 270.8103 11.37352 50.22720       25.33688 
1 1 1 -14 9  29 o 195.1806 9.368969 1124.872       106.9323 1681.343       383.9612 1078.082       111.3372 232.8728 28.72165 190.9797 9.974942 41.89311       30.40448 
1 1 1 -14 9  30 o 176.1610 9.058353 916.6221       93.27145 1416.272       363.1003 881.3236       96.50987 212.6633 29.94054 172.6536 9.568577 40.00963       31.43236 
1 1 1 -14 9  31 o 100.8117 14.66672 308.0903       84.17386 505.4025       327.3561 294.1210       87.10258 124.9075 39.72826 98.23863 15.64215 26.66883       42.69674 
1 1 1 -14 9  32 o 185.3457 9.399464 1016.203       101.8394 644.9958       345.5929 1051.503       106.5716 138.4751 40.19685 188.4976 9.672527 -50.02251      41.34422 
1 1 1 -14 9  33 o 54.14437 20.01909 71.19350       84.15852 98.38909       333.7904 69.34733       86.96816 89.21230 37.53587 54.29354 20.29735 34.91875       42.67229 
1 1 1 -14 9  34 f 41.69870 18.07011 -8.080312      81.56320 -122.6235      334.0114 -0.8169737     84.10947 75.96406 34.49158 43.25456 18.54298 32.70950       39.16008 
1 1 1 -14 9  35 o 190.3560 9.355546 1073.917       104.1247 831.4033       372.4697 1094.476       108.4485 153.8546 40.66925 192.1078 9.656573 -38.25319      41.79996 
1 1 1 -14 9  36 o 150.3069 11.52048 675.8384       100.7807 546.1563       375.7340 685.8915       104.6141 124.6320 42.68862 151.3326 11.88234 -26.70052      44.31149 
1 1 1 -14 9  37 o 105.4034 14.96713 341.2578       89.92357 242.2676       352.7722 348.1368       92.99559 97.23686 39.51589 106.3575 15.35270 -9.120682      42.39353 
1 1 1 -14 9  38 o 41.90466 18.45765 -16.22845      88.17085 0.000000       0.000000 -16.22845      88.17085 ?        ?        41.90466 18.45765 0.000000       18.45765 
1 1 1 -14 9  39 o 233.6904 8.283791 1623.786       113.3530 1534.169       368.9419 1633.128       119.1142 209.7945 30.91095 234.2018 8.687124 -24.40732      32.10846 
1 1 1 -14 9  40 o 140.6386 11.68971 600.2205       95.54730 558.9777       314.3451 604.4188       100.2926 117.6439 39.04443 140.8988 12.25889 -23.25494      40.92369 
1 1 1 -14 9  41 o 204.1024 9.160233 1247.319       109.3697 1604.369       347.1855 1207.983       115.2369 214.2606 28.32218 200.5397 9.828009 13.72084       29.97892 
1 1 1 -14 9  42 o 77.29774 19.05472 198.4667       85.82244 263.3612       110.4724 99.68332       136.2988 88.04202 21.56811 62.59391 24.86248 25.44811       32.91392 
1 1 1 -14 9  43 o 47.95735 20.09159 30.91639       94.99912 71.26104       130.8370 -14.07083      138.1600 58.22653 23.91118 50.90113 22.72360 7.325397       32.98646 
1 1 1 -14 9  44 o 52.80967 20.86450 67.78201       95.51163 72.28175       139.3505 63.79519       131.1683 58.91872 24.48153 57.00394 23.72437 1.914772       34.09092 
1 1 1 -14 9  45 o 127.1732 13.72869 508.6081       100.7732 456.4353       134.0458 576.4213       152.8229 115.8688 20.47449 130.2924 20.69033 -14.42353      29.10832 
1 1 1 -14 9  46 o 103.5666 18.01787 357.4070       105.4671 281.8789       139.2198 459.1307       161.5691 86.64051 25.61365 111.6161 25.27183 -24.97562      35.98228 
1 1 1 -14 9  47 o 40.77907 19.04449 -69.82375      112.5025 -91.02534      167.0437 -52.22367      152.1960 48.69531 22.88974 48.90227 22.60124 -0.2069550     32.16763 
1 1 1 -14 9  48 o 78.15226 25.36876 232.1052       133.0070 264.2969       187.9631 199.8192       188.2379 80.60987 29.89705 73.53725 29.21522 7.072617       41.80147 
1 1 1 -14 10 1  o 981.0516 22.99312 28395.75       1322.941 27263.29       1799.870 29726.52       1951.110 958.0202 32.07959 999.9070 33.31797 -41.88678      46.25135 
1 1 1 -14 10 2  o 953.6344 18.45712 26773.33       1032.277 25674.15       1699.753 27415.63       1299.336 929.9415 31.21011 963.9584 22.98332 -34.01685      38.75957 
1 1 1 -14 10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 10 4  o 672.4270 17.33484 13315.20       683.0513 13852.52       940.3785 12715.11       993.7939 684.6788 23.45346 655.3766 25.90666 29.30225       34.94595 
1 1 1 -14 10 5  o 859.5995 16.83171 21742.21       848.5449 20864.29       1391.294 22262.20       1070.744 838.9760 28.31664 868.9873 21.00979 -30.01129      35.25966 
1 1 1 -14 10 6  o 191.9636 12.48979 1087.229       139.8493 1081.914       178.3804 1095.706       225.2844 191.1084 16.06392 191.7514 20.34280 -0.6430206     25.92063 
1 1 1 -14 10 7  o 550.3547 12.03423 8898.356       388.4289 9076.080       642.8041 8796.137       487.4996 554.6021 19.79446 546.6717 15.22019 7.930359       24.96948 
1 1 1 -14 10 8  o 405.1381 10.47626 4823.307       248.7111 4845.863       381.1845 4806.586       328.1949 405.5088 16.05995 404.1138 13.86825 1.394958       21.21910 
1 1 1 -14 10 9  o 414.6774 9.544695 5048.750       232.1256 4875.730       323.2407 5232.985       333.5524 407.0274 13.55996 421.6976 13.50432 -14.67023      19.13738 
1 1 1 -14 10 10 o 337.8740 9.210534 3354.169       182.3412 3200.219       249.9544 3529.290       266.5872 329.7009 12.95197 346.2415 13.15225 -16.54062      18.45901 
1 1 1 -14 10 11 o 520.6646 10.16449 7962.249       310.3802 8083.509       445.7448 7848.118       432.4453 523.9769 14.51919 516.3176 14.29492 7.659241       20.37527 
1 1 1 -14 10 12 o 329.8093 8.840520 3196.196       170.8439 3524.323       248.4678 2901.953       235.2899 346.0215 12.26320 313.8864 12.80836 32.13507       17.73246 
1 1 1 -14 10 13 o 271.5804 10.47706 2170.431       166.5608 1989.596       212.7532 2456.754       267.7097 259.6291 14.02450 288.3389 15.89254 -28.70984      21.19574 
1 1 1 -14 10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 10 15 o 457.7835 14.26494 6178.980       382.5165 6225.348       576.0370 6142.406       511.5980 457.9172 21.50940 455.4196 19.19737 2.497559       28.83042 
1 1 1 -14 10 16 o 610.0438 10.92628 10944.78       390.9162 10823.73       553.8117 11064.99       551.8713 605.5482 15.60720 612.3223 15.37982 -6.774048      21.91172 
1 1 1 -14 10 17 o 455.5654 9.080252 6099.491       242.6046 6011.415       345.9578 6184.710       340.3017 451.5361 13.07790 458.0780 12.67920 -6.541901      18.21520 
1 1 1 -14 10 18 o 547.6715 11.64504 8831.553       374.0346 9056.126       472.4418 8454.381       612.2646 553.7676 14.55952 533.5100 19.60131 20.25757       24.41702 
1 1 1 -14 10 19 o 75.77024 17.78191 176.8868       77.65195 138.5879       104.9438 223.2280       115.4376 69.27711 22.53752 85.04140 22.71548 -15.76429      31.99895 
1 1 1 -14 10 20 o 320.4964 8.234262 3021.601       154.6459 3027.601       228.3044 3016.514       210.2181 320.2173 12.17899 319.7945 11.22594 0.4228210      16.56350 
1 1 1 -14 10 21 o 466.1706 9.164311 6393.961       250.5505 6089.378       352.5236 6704.875       356.1683 453.9115 13.25660 476.4538 12.75778 -22.54224      18.39832 
1 1 1 -14 10 22 o 409.9235 8.536790 4943.090       205.2334 5240.292       310.9633 4713.721       273.1810 421.0991 12.60560 399.5857 11.66959 21.51340       17.17790 
1 1 1 -14 10 23 o 239.9514 7.901353 1695.195       111.0408 1660.892       163.0348 1724.875       151.6530 236.9258 11.77008 241.6376 10.72803 -4.711746      15.92562 
1 1 1 -14 10 24 o 290.9509 7.933722 2491.981       135.2514 2618.362       207.3740 2398.424       178.4228 297.5298 11.90835 284.9799 10.69441 12.54987       16.00560 
1 1 1 -14 10 25 o 233.3815 7.216448 1603.022       98.65482 1631.436       341.9744 1600.443       103.0355 230.6622 25.71627 233.1539 7.545112 -2.491730      26.80028 
1 1 1 -14 10 26 o 211.9657 8.984394 1325.424       111.4343 1193.556       330.2803 1342.364       118.3753 195.3554 29.76680 213.2451 9.489007 -17.88971      31.24266 
1 1 1 -14 10 27 o 166.4601 9.897912 819.5125       96.19200 1009.538       355.5226 804.5027       99.91880 177.1731 35.45375 164.8518 10.38764 12.32130       36.94417 
1 1 1 -14 10 28 o 249.3472 8.107488 1831.323       118.4032 2022.166       408.9888 1813.866       123.7004 256.2539 27.65116 248.0978 8.514159 8.156113       28.93229 
1 1 1 -14 10 29 o 37.76064 17.29116 -58.41862      86.25004 58.67014       360.3791 -65.53291      88.83167 91.05792 38.68921 37.82141 17.40325 53.23651       42.42320 
1 1 1 -14 10 30 o 211.5705 8.777668 1320.810       108.6777 1361.132       388.8811 1317.394       113.1875 206.7304 33.19819 211.2382 9.158168 -4.507751      34.43823 
1 1 1 -14 10 31 o 134.9646 11.54407 542.6182       90.49878 372.4588       350.0873 554.8032       93.68304 112.8598 40.97491 136.4304 11.82510 -23.57063      42.64711 
1 1 1 -14 10 32 o 51.14919 19.93615 50.65076       86.19700 -205.0840      339.3316 68.29057       89.12024 73.27761 33.82445 54.53746 20.51383 18.74015       39.55896 
1 1 1 -14 10 33 o 176.7655 9.590190 925.8514       99.04798 930.4565       356.8476 925.4670       103.0990 166.0486 37.52931 176.6505 9.992257 -10.60196      38.83677 
1 1 1 -14 10 34 o 198.1622 9.036022 1162.267       104.7380 867.5047       367.4796 1188.330       109.2703 158.3654 39.65765 200.3158 9.326744 -41.95049      40.73963 
1 1 1 -14 10 35 o 51.82558 20.17989 54.06453       88.24838 214.7892       368.6593 44.29502       90.89087 98.73481 40.29419 50.84766 20.26816 47.88715       45.10454 
1 1 1 -14 10 36 o 288.9974 8.186489 2469.868       138.6131 2493.072       445.4594 2467.381       145.8541 278.6338 27.62311 288.7189 8.623425 -10.08511      28.93786 
1 1 1 -14 10 37 o 57.88037 22.94070 67.07971       115.8055 0.000000       0.000000 67.07971       115.8055 ?        ?        57.88037 22.94070 0.000000       22.94070 
1 1 1 -14 10 38 o 361.4592 7.903438 3871.367       167.5428 4437.605       484.6604 3794.516       178.5508 373.3435 22.23567 357.5560 8.514659 15.78754       23.81017 
1 1 1 -14 10 39 o 131.7699 12.32487 528.1500       94.14137 815.4090       380.5678 509.4262       97.16104 140.1477 42.56339 129.1325 13.00640 11.01523       44.50627 
1 1 1 -14 10 40 o 78.64057 19.43362 203.0352       89.10588 581.9789       355.8092 177.6792       92.03876 117.5086 41.46387 73.38588 20.56517 44.12267       46.28368 
1 1 1 -14 10 41 o 85.20682 19.75149 240.3810       96.77377 529.4975       345.3955 215.7512       100.8116 111.1181 40.64508 80.17128 21.14204 30.94686       45.81494 
1 1 1 -14 10 42 o 115.9239 19.60678 442.6347       128.5520 363.2603       313.9092 458.6285       140.9096 95.28407 37.76840 116.9097 21.33727 -21.62568      43.37893 
1 1 1 -14 10 43 o 43.20215 18.88982 -1.208620      90.82663 9.981236       126.0774 -13.28161      130.9581 50.97079 22.27178 49.66455 22.15069 1.306240       31.41155 
1 1 1 -14 10 44 o 63.03923 21.76700 130.5560       97.75205 171.0749       138.0295 89.78623       138.4560 70.85789 25.72816 60.59803 24.70752 10.25986       35.67072 
1 1 1 -14 10 45 o 106.9214 17.09432 374.8884       103.5843 393.0427       139.1299 352.3103       155.1581 105.0946 23.19511 96.62287 26.56080 8.471764       35.26315 
1 1 1 -14 10 46 o 98.55797 19.06926 329.2482       106.2384 282.6338       145.5484 382.4035       155.4251 86.14157 26.35433 100.6623 26.10879 -14.52072      37.09744 
1 1 1 -14 10 47 o 96.01900 21.15834 325.2657       115.9297 322.0372       159.8630 328.8468       168.3660 90.11462 27.62940 90.32288 28.46218 -0.2082672     39.66711 
1 1 1 -14 10 48 o 107.7556 21.93480 413.8957       133.9009 382.1897       187.7089 446.7454       191.0645 95.34582 30.05373 103.7669 29.81793 -8.421051      42.33599 
1 1 1 -14 11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 11 2  o 392.6103 16.28585 4542.536       374.1783 4542.536       374.1783 0.000000       0.000000 392.6103 16.28585 ?        ?        0.000000       16.28585 
1 1 1 -14 11 3  o 316.2686 13.87475 2945.777       256.7282 3292.238       292.5301 1784.546       535.5533 334.2730 14.95962 241.4955 39.15269 92.77748       41.91328 
1 1 1 -14 11 4  o 445.7947 11.21108 5840.532       292.8789 6163.476       458.7404 5618.323       380.5251 457.2966 17.13513 436.8557 14.87403 20.44095       22.69029 
1 1 1 -14 11 5  o 555.2205 12.19191 9056.969       396.9976 9056.655       641.7781 9057.162       505.2699 553.9990 19.78442 554.6789 15.54748 -0.6799316     25.16242 
1 1 1 -14 11 6  o 418.7565 10.58116 5152.997       259.6553 5514.608       416.2043 4922.571       332.2388 432.5795 16.43542 408.9669 13.87205 23.61261       21.50713 
1 1 1 -14 11 7  o 754.7249 14.93790 16753.68       661.1939 16770.21       1121.039 16744.87       818.7692 752.5255 25.43746 753.9162 18.51773 -1.390686      31.46381 
1 1 1 -14 11 8  o 466.8982 10.92829 6403.160       299.2435 6545.413       481.2831 6313.507       382.0750 471.1254 17.44876 463.1494 14.08257 7.976044       22.42271 
1 1 1 -14 11 9  o 700.2883 14.03040 14422.69       576.2323 14177.48       960.8269 14560.42       720.1050 692.0396 23.70858 703.0596 17.46438 -11.02002      29.44658 
1 1 1 -14 11 10 f 259.2440 9.255442 1975.976       140.4944 1833.434       185.2387 2169.021       215.5713 249.4056 12.70599 271.2335 13.59515 -21.82785      18.60834 
1 1 1 -14 11 11 o 511.8686 10.07609 7696.563       302.4829 7841.067       434.4232 7560.579       421.4238 515.9879 14.36965 506.6942 14.19550 9.293640       20.19899 
1 1 1 -14 11 12 o 193.0457 22.08759 1116.732       245.5719 907.6992       398.3168 1244.904       311.9022 170.0621 40.51622 202.9887 26.85811 -32.92654      48.60989 
1 1 1 -14 11 13 o 329.5654 15.79386 3208.287       304.3788 3106.330       482.6401 3275.616       392.2083 322.3291 25.74517 332.2487 20.22390 -9.919647      32.73866 
1 1 1 -14 11 14 o 304.7766 15.23178 2744.520       271.3965 2525.195       432.1105 2887.401       348.7691 290.2721 25.64633 311.9590 19.15531 -21.68686      32.01031 
1 1 1 -14 11 15 o 763.0306 15.06491 17166.09       674.1537 16618.15       810.6819 18394.53       1213.833 749.7402 18.43695 785.0331 26.40213 -35.29297      32.20238 
1 1 1 -14 11 16 o 252.7133 8.168114 1878.009       120.9009 1781.471       167.4079 1983.248       174.7903 245.7625 11.64790 259.3524 11.52025 -13.58984      16.38260 
1 1 1 -14 11 17 o 159.7847 9.608380 753.3949       89.62411 785.4063       121.0517 714.5594       133.3316 162.7730 12.78304 154.9029 14.85849 7.870071       19.60053 
1 1 1 -14 11 18 o 279.8488 9.123008 2305.165       149.5310 2245.649       189.2309 2404.114       243.9951 275.8694 11.72274 284.9661 14.64864 -9.096710      18.76180 
1 1 1 -14 11 19 o 316.0082 8.215236 2937.367       152.1250 2995.131       222.9452 2887.042       208.0960 318.5571 11.95450 312.8469 11.36065 5.710175       16.49165 
1 1 1 -14 11 20 o 80.14351 17.14717 197.6249       78.15925 183.9066       106.9346 213.3592       114.5229 77.54657 22.31470 83.14189 22.80495 -5.595322      31.90630 
1 1 1 -14 11 21 o 378.6411 8.298367 4216.322       184.2769 4342.593       273.6452 4111.543       249.2707 383.4393 12.18407 373.2573 11.40045 10.18207       16.68597 
1 1 1 -14 11 22 f 276.5985 7.868676 2251.642       127.5148 2328.415       190.8495 2189.732       171.3833 280.6830 11.61888 272.3362 10.75144 8.346802       15.83010 
1 1 1 -14 11 23 o 73.96393 17.50364 169.2483       74.73768 336.0301       104.2388 -7.190057      107.2141 104.9036 17.56325 48.36541 20.83735 56.53817       27.25184 
1 1 1 -14 11 24 o 342.5864 7.284539 3450.982       146.3601 3371.035       416.5250 3462.244       156.3290 334.5337 21.34132 343.0807 7.769492 -8.547058      22.71160 
1 1 1 -14 11 25 o 104.1565 13.70624 326.5991       81.69519 207.7684       323.1525 334.7122       84.43801 98.13989 38.49865 105.4045 14.00559 -7.264580      40.96709 
1 1 1 -14 11 26 o 206.6349 9.372015 1260.364       113.2805 1060.301       361.2496 1282.182       119.2976 181.7787 35.15709 208.3572 9.790141 -26.57848      36.49476 
1 1 1 -14 11 27 o 144.9864 13.08460 626.7980       110.0637 0.000000       0.000000 626.7980       110.0637 ?        ?        144.9864 13.08460 0.000000       13.08460 
1 1 1 -14 11 28 o 244.1764 9.671051 1759.712       138.2191 1967.087       404.4294 1732.287       147.0751 252.5748 27.75952 242.1441 10.38065 10.43068       29.63695 
1 1 1 -14 11 29 o 221.2557 9.728957 1445.883       125.9355 1790.493       404.7344 1408.942       132.5137 239.8423 29.38686 218.2968 10.38027 21.54549       31.16628 
1 1 1 -14 11 30 o 67.78086 20.72703 139.0311       90.04198 332.6000       367.2656 126.6520       92.87653 110.7762 41.64877 65.59452 21.19147 45.18169       46.73006 
1 1 1 -14 11 31 o 104.3100 14.97667 330.2259       88.99619 293.5192       374.0767 332.4282       91.62704 107.5002 41.63382 104.5652 15.40205 2.934982       44.39142 
1 1 1 -14 11 32 o 182.9345 9.565269 990.9716       102.2662 1016.126       397.1369 989.1851       105.8353 172.8126 39.97927 182.7031 9.914354 -9.890518      41.19024 
1 1 1 -14 11 33 o 208.0124 8.705337 1279.220       105.9654 1559.428       394.7766 1257.464       110.0023 219.8186 31.52316 206.1508 9.121003 13.66780       32.81618 
1 1 1 -14 11 34 f 219.3587 8.372228 1422.172       107.5099 1424.285       397.7229 1422.006       111.6670 207.8587 33.78494 219.2771 8.700493 -11.41838      34.88726 
1 1 1 -14 11 35 o 204.0039 9.341996 1234.029       111.4742 1198.314       408.3869 1236.904       115.8746 185.7325 38.74691 204.1527 9.705729 -18.42014      39.94401 
1 1 1 -14 11 36 o 93.48097 17.38465 273.2383       91.80319 197.2414       392.0752 277.6465       94.42818 97.43574 40.81837 94.13689 17.75464 3.298851       44.51255 
1 1 1 -14 11 37 o 43.70814 18.91563 -3.151363      89.13453 -404.3791      367.8884 21.87076       91.87189 66.07369 31.85106 47.44029 19.80816 18.63340       37.50805 
1 1 1 -14 11 38 o 84.82137 18.12842 230.6389       87.44572 273.8029       369.9236 228.0842       89.99634 96.66446 40.00172 84.14340 18.72002 12.52106       44.16534 
1 1 1 -14 11 39 o 115.2782 13.93512 409.9075       92.30280 -211.3843      393.5172 446.0797       94.95177 72.99750 34.56076 120.4181 13.68761 -47.42059      37.17253 
1 1 1 -14 11 40 o 73.04013 20.43230 176.2117       90.93822 170.9954       379.9619 176.5287       93.66027 87.88676 38.52646 73.04802 20.84067 14.83875       43.80207 
1 1 1 -14 11 41 o 174.6723 10.12893 920.0285       103.3169 920.1334       350.5128 920.0185       108.1205 147.8569 39.62162 174.4346 10.61909 -26.57771      41.01997 
1 1 1 -14 11 42 o 49.01760 19.82527 46.94644       88.30905 129.6988       333.0974 40.69040       91.58630 79.84853 35.48738 48.70602 20.00398 31.14251       40.73713 
1 1 1 -14 11 43 o 60.11712 20.45628 116.1126       86.25317 111.9310       112.4604 122.0863       134.4158 61.29544 23.04655 64.49446 24.96269 -3.199020      33.97469 
1 1 1 -14 11 44 o 194.4302 10.10430 1147.836       114.8228 1144.441       162.0125 1151.261       162.7579 190.6550 14.60047 191.2027 14.62536 -0.5476379     20.66579 
1 1 1 -14 11 45 o 98.33235 18.67718 325.0569       103.7731 286.1819       141.2025 370.7135       153.0239 87.34449 25.78856 99.49586 25.95635 -12.15137      36.58937 
1 1 1 -14 11 46 o 61.57397 22.88272 122.4197       110.2137 58.74238       159.2084 181.0164       152.7250 58.68354 25.33810 71.34174 26.85007 -12.65821      36.91809 
1 1 1 -14 11 47 o 187.7222 12.33423 1098.362       135.0410 1068.864       194.6654 1125.726       187.4902 178.3341 18.89981 184.6694 17.52104 -6.335266      25.77188 
1 1 1 -14 11 48 o 34.53940 17.09768 -243.3961      128.9050 -136.4105      180.1043 -355.7606      184.5763 47.78179 22.83544 39.96646 19.89794 7.815334       30.28837 
1 1 1 -14 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 12 2  o 220.5317 13.43210 1434.781       172.9023 1421.775       184.1119 1531.936       503.2050 219.4285 14.38600 223.0676 39.93058 -3.639130      42.44300 
1 1 1 -14 12 3  f 673.2431 17.40245 13353.42       686.5445 14567.72       969.6089 12132.53       972.2374 701.8572 23.58929 639.8607 25.96206 61.99652       35.07825 
1 1 1 -14 12 4  o 227.6322 10.76148 1525.207       143.2599 1603.439       186.1524 1411.573       224.3535 233.1474 13.67409 218.2378 17.68008 14.90968       22.35097 
1 1 1 -14 12 5  o 269.9465 9.992382 2142.708       157.9236 2106.338       217.2827 2183.435       229.9288 267.2981 13.90834 272.1014 14.46020 -4.803345      20.06338 
1 1 1 -14 12 6  o 498.0347 11.34186 7286.711       331.2794 7342.704       529.2789 7250.646       424.7729 498.9158 18.11877 496.2899 14.60979 2.625885       23.27521 
1 1 1 -14 12 7  o 286.8746 9.602701 2419.252       161.3331 2234.501       222.7192 2623.226       234.0189 275.3106 13.83818 298.3987 13.40646 -23.08807      19.26729 
1 1 1 -14 12 8  o 352.7823 9.756727 3657.705       201.6714 3412.761       293.1226 3877.867       277.8988 340.2581 14.72378 362.9350 13.07729 -22.67685      19.69277 
1 1 1 -14 12 9  o 129.3214 12.93515 496.6445       96.79006 454.5902       121.8830 568.4446       159.2577 123.0055 17.37897 137.2975 20.39709 -14.29198      26.79683 
1 1 1 -14 12 10 o 437.8713 10.37090 5633.043       266.3260 5499.243       415.6399 5726.244       346.8961 431.7079 16.44643 440.9920 13.42841 -9.284088      21.23222 
1 1 1 -14 12 11 f 500.9010 10.05218 7371.596       295.2996 7321.133       420.0402 7420.910       415.2346 498.4762 14.38302 501.9073 14.12054 -3.431091      20.15592 
1 1 1 -14 12 12 o 223.8459 12.93097 1479.233       169.0357 901.8725       415.9079 1593.473       185.0046 169.0905 42.10248 232.2718 13.64117 -63.18129      44.25721 
1 1 1 -14 12 13 o 458.5791 14.83695 6203.175       398.5082 6481.943       615.3100 6001.758       523.0219 467.0057 22.53225 450.0117 19.86631 16.99399       30.03951 
1 1 1 -14 12 14 o 402.6527 14.40600 4784.019       339.6442 4326.272       497.3416 5184.083       464.9516 381.1867 22.34474 418.2256 19.00567 -37.03888      29.33433 
1 1 1 -14 12 15 o 427.8482 8.926088 5379.149       223.9760 5376.696       322.5170 5381.435       311.2814 427.0719 12.89135 427.3386 12.43348 -0.2667542     17.91029 
1 1 1 -14 12 16 o 599.8047 10.82928 10585.69       380.9430 10405.93       537.9632 10766.49       539.5097 593.4441 15.47009 603.7089 15.24997 -10.26483      21.72292 
1 1 1 -14 12 17 o 168.2085 10.49632 835.8218       103.0304 706.0945       128.5898 1068.436       172.1905 154.0054 14.40416 189.5130 15.63130 -35.50760      21.25600 
1 1 1 -14 12 18 o 320.6621 8.230002 3024.361       154.6461 3032.553       225.6902 3017.111       212.3264 320.5465 12.02657 319.8430 11.33716 0.7035828      16.52784 
1 1 1 -14 12 19 o 348.0038 8.312099 3560.666       169.6466 3695.291       252.9113 3450.546       228.7388 353.7774 12.20784 341.9940 11.42038 11.78345       16.71695 
1 1 1 -14 12 20 o 184.8276 8.748107 1007.123       94.55774 923.6722       133.0883 1092.190       134.3706 176.4059 12.95435 192.0567 11.98936 -15.65080      17.65105 
1 1 1 -14 12 21 o 388.3924 8.572130 4437.925       195.2585 4270.055       285.3578 4585.724       267.7563 379.9989 12.82270 394.1066 11.59706 -14.10770      17.28912 
1 1 1 -14 12 22 o 212.1930 7.433476 1325.452       92.36388 1173.107       347.3921 1337.041       95.81249 193.2171 31.75907 213.0921 7.679181 -19.87509      32.67428 
1 1 1 -14 12 23 o 274.4884 7.272401 2216.788       116.9687 2119.092       388.2058 2226.543       122.6694 263.4659 25.43994 275.0482 7.611930 -11.58228      26.55432 
1 1 1 -14 12 24 o 64.69118 20.14647 124.8076       84.60855 184.8672       329.9192 120.5796       87.53603 96.96778 38.62729 64.09177 20.56100 32.87601       43.75869 
1 1 1 -14 12 25 o 139.4549 11.81672 578.4657       95.73647 -315.2701      341.6626 654.6177       99.73178 69.80467 32.78835 148.4556 11.54548 -78.65091      34.76167 
1 1 1 -14 12 26 o 376.8687 7.878666 4178.302       174.1379 3758.094       475.7653 4243.305       187.1226 352.4227 23.14670 379.7050 8.402905 -27.28232      24.62476 
1 1 1 -14 12 27 o 357.1867 7.780216 3752.966       162.9812 4622.756       527.5328 3661.184       171.3646 391.0342 23.10598 352.7181 8.284053 38.31610       24.54612 
1 1 1 -14 12 28 o 214.3421 8.984023 1355.432       112.6847 1550.464       416.8900 1340.060       117.0414 221.4872 33.10840 213.0614 9.389709 8.425812       34.41413 
1 1 1 -14 12 29 o 104.1204 18.34592 333.1581       107.9365 0.000000       0.000000 333.1581       107.9365 ?        ?        104.1204 18.34592 0.000000       18.34592 
1 1 1 -14 12 30 o 343.5531 7.852074 3474.869       158.2081 3824.523       477.0665 3431.663       167.6980 354.4111 23.07754 341.3167 8.377604 13.09433       24.55111 
1 1 1 -14 12 31 o 329.3243 7.745338 3194.290       149.5942 3516.526       463.9451 3156.901       158.0348 338.7918 23.49536 327.1944 8.242183 11.59735       24.89911 
1 1 1 -14 12 32 o 229.1028 8.201743 1549.513       110.0236 1741.075       421.8103 1535.529       113.9688 232.7358 31.72856 228.0014 8.538191 4.734375       32.85730 
1 1 1 -14 12 33 o 119.5938 13.17261 430.7144       90.86290 -334.9215      389.5778 474.7596       93.43992 73.40973 34.64499 125.7010 12.85572 -52.29128      36.95328 
1 1 1 -14 12 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 12 35 o 125.4886 13.56132 476.2725       98.22243 146.8412       420.4314 495.2908       101.0179 97.29624 41.57803 127.9649 13.67195 -30.66861      43.76819 
1 1 1 -14 12 36 o 73.35594 20.02431 171.6040       88.54258 -256.0285      412.6956 192.2379       90.65356 76.60206 35.99840 77.53514 19.85238 -0.9330826     41.10963 
1 1 1 -14 12 37 o 143.6805 11.33132 621.2925       94.71127 268.5158       376.7791 645.0870       97.85326 98.06258 40.45519 146.3690 11.49131 -48.30647      42.05559 
1 1 1 -14 12 38 o 212.8855 8.965728 1351.113       111.6886 948.4388       385.0439 1388.106       116.7062 153.4793 41.70066 215.6725 9.248241 -62.19322      42.71387 
1 1 1 -14 12 39 o 52.75369 19.77633 72.09026       82.67854 183.0185       375.7379 66.44595       84.75590 89.08355 38.69315 52.10876 19.91127 36.97479       43.51572 
1 1 1 -14 12 40 o 72.00766 20.31248 171.5176       89.48197 -6.796974      368.6086 182.6838       92.24114 77.80647 35.67250 74.18702 20.51305 3.619453       41.14988 
1 1 1 -14 12 41 o 121.4843 13.70918 458.4449       95.97074 192.7280       329.7853 483.0296       100.3122 84.30083 36.43351 124.6037 13.96700 -40.30283      39.01894 
1 1 1 -14 12 42 o 128.8910 13.05496 514.7192       97.32501 245.4007       318.3444 542.4867       102.2192 85.92926 36.43047 132.1823 13.36947 -46.25304      38.80621 
1 1 1 -14 12 43 f 62.39243 23.67459 116.4235       119.2973 342.9980       355.4333 87.65862       126.6438 91.58759 38.64540 59.31145 23.82855 32.27614       45.40118 
1 1 1 -14 12 44 o 48.46579 20.48126 31.83768       100.0809 54.25002       146.8723 12.41053       136.7416 57.55050 24.58345 52.28678 23.01000 5.263725       33.67204 
1 1 1 -14 12 45 o 136.3255 14.07688 587.8621       110.9303 516.3148       158.9702 655.7649       154.8683 120.4681 23.34367 139.7242 19.42355 -19.25602      30.36777 
1 1 1 -14 12 46 o 87.01478 22.47532 273.1897       115.4983 199.2579       166.5543 341.6764       160.3035 73.60526 27.96310 93.32294 27.45747 -19.71769      39.18989 
1 1 1 -14 12 47 o 47.55054 21.27785 -5.913671      121.8989 101.5697       182.8043 -91.97486      163.5760 64.01349 27.38727 47.96867 22.58015 16.04482       35.49543 
1 1 1 -14 13 1  o 473.0802 17.52807 6600.409       485.4761 6600.409       485.4761 0.000000       0.000000 473.0802 17.52807 ?        ?        0.000000       17.52807 
1 1 1 -14 13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 13 3  o 845.0306 16.51279 21022.39       818.3585 20467.88       1357.799 21338.75       1025.563 830.3187 27.92276 850.4418 20.56208 -20.12311      34.67679 
1 1 1 -14 13 4  o 350.0733 13.06940 3607.759       267.8564 3893.577       314.6734 2855.839       510.3888 363.5005 14.79151 308.9567 28.48842 54.54385       32.09951 
1 1 1 -14 13 5  o 804.6990 15.83574 19061.16       747.3472 19739.89       1299.005 18725.36       913.7097 815.4315 27.20075 796.7813 19.55323 18.65015       33.49940 
1 1 1 -14 13 6  o 204.4245 10.23355 1230.521       122.3001 1138.153       157.2204 1372.061       194.6209 196.2399 13.74760 215.3470 15.51389 -19.10715      20.72866 
1 1 1 -14 13 7  o 729.6855 14.50284 15667.89       620.6392 15340.66       1032.119 15853.24       776.7659 719.2970 24.50221 733.2838 18.06207 -13.98682      30.44005 
1 1 1 -14 13 8  o 280.7614 9.445299 2317.733       155.3048 2298.565       220.8162 2336.496       218.4709 279.2022 13.52557 281.5307 13.26909 -2.328491      18.94756 
1 1 1 -14 13 9  o 773.1472 15.21528 17604.13       689.9102 17404.21       1160.643 17713.37       857.9325 765.2113 25.89961 774.6435 18.88429 -9.432190      32.05318 
1 1 1 -14 13 10 o 310.0715 9.434685 2826.881       171.3698 2750.879       247.2985 2897.094       237.6938 305.3967 13.84322 313.5347 12.95443 -8.137939      18.95922 
1 1 1 -14 13 11 o 249.8975 9.232898 1837.021       135.0838 1940.992       193.0114 1737.197       189.1226 256.5099 12.87117 242.5783 13.34496 13.93166       18.54064 
1 1 1 -14 13 12 o 379.3816 10.68697 4234.843       237.5464 4355.188       283.0231 3947.990       436.9545 384.4928 12.56803 364.6302 20.51579 19.86255       24.05936 
1 1 1 -14 13 13 o 126.7359 31.46571 500.9770       232.7952 314.2360       384.8651 608.7214       292.3386 114.1554 42.69408 139.3133 35.63976 -25.15782      55.61454 
1 1 1 -14 13 14 o 379.2698 14.19568 4246.585       315.2013 4414.947       496.5700 4132.974       407.9156 384.9153 22.08984 373.2341 18.69491 11.68115       28.93891 
1 1 1 -14 13 15 o 484.1264 14.54780 6921.338       412.5853 7176.784       631.9512 6731.565       544.6918 490.7918 22.01112 476.0940 19.54936 14.69785       29.43921 
1 1 1 -14 13 16 o 388.5012 12.56811 4452.807       285.9835 4452.807       285.9835 0.000000       0.000000 388.5012 12.56811 ?        ?        0.000000       12.56811 
1 1 1 -14 13 17 f 143.9306 11.23085 613.8016       94.05174 527.1454       117.8099 766.0906       156.1767 132.6572 15.43023 159.9757 16.90129 -27.31845      22.88549 
1 1 1 -14 13 18 o 240.0071 8.348025 1695.618       117.3266 1830.657       170.5036 1574.170       161.6963 248.9445 11.71115 230.7642 11.98872 18.18027       16.75949 
1 1 1 -14 13 19 o 495.5595 9.503302 7227.682       276.1982 7504.589       406.9689 6991.232       376.0654 503.7651 13.78768 486.3887 13.19565 17.37640       19.08469 
1 1 1 -14 13 20 o 304.9149 8.175215 2736.211       146.0617 3012.144       224.1202 2532.487       192.5749 319.2805 11.99031 292.8598 11.23299 26.42068       16.43008 
1 1 1 -14 13 21 o 324.5197 7.270221 3095.902       138.3691 2893.564       423.9830 3120.021       146.3840 309.2719 23.55244 325.7363 7.662616 -16.46445      24.76759 
1 1 1 -14 13 22 o 157.8658 9.050712 736.1491       83.44443 384.7837       332.4868 759.7680       86.20339 114.4921 40.10751 160.3668 9.204232 -45.87471      41.15010 
1 1 1 -14 13 23 o 279.2340 7.222405 2294.120       118.1778 2137.450       408.2959 2308.446       123.4625 263.9441 26.74497 280.0652 7.523487 -16.12103      27.78302 
1 1 1 -14 13 24 o 353.5079 7.643397 3675.761       158.4660 2954.077       426.0332 3791.639       170.7148 312.1267 23.44486 358.9680 8.108954 -46.84134      24.80760 
1 1 1 -14 13 25 f 306.2487 7.468456 2758.234       134.1391 2898.239       440.7898 2743.945       140.8180 308.6831 24.55038 305.3050 7.871110 3.378082       25.78131 
1 1 1 -14 13 26 f 117.4549 13.23677 413.2256       89.59478 2.247883       379.0250 437.5487       92.20795 89.85065 38.94510 120.9066 13.21887 -31.05596      41.12735 
1 1 1 -14 13 27 o 206.3087 8.961423 1255.768       108.1702 794.9272       430.7338 1286.788       111.7515 154.2971 44.90109 208.8195 9.147170 -54.52234      45.82334 
1 1 1 -14 13 28 f 238.9506 8.291919 1682.789       116.0259 1865.771       418.9103 1667.586       120.7499 244.6772 29.80728 237.8112 8.672249 6.866043       31.04323 
1 1 1 -14 13 29 o 434.8922 8.459925 5570.637       215.7738 4985.799       550.8449 5676.639       234.5145 404.9922 23.28989 438.8555 9.111665 -33.86325      25.00883 
1 1 1 -14 13 30 o 281.3011 7.975951 2332.343       131.4516 2669.516       479.7813 2304.979       136.6818 292.6741 28.30453 279.5769 8.345362 13.09720       29.50918 
1 1 1 -14 13 31 o 111.8611 13.84777 377.7798       88.90845 930.9094       397.1024 348.5891       91.22429 164.6694 41.21874 107.1352 14.92319 57.53423       43.83704 
1 1 1 -14 13 32 o 233.8788 8.169437 1615.002       111.8835 1615.044       412.2401 1614.998       116.2468 223.2519 32.43317 233.8146 8.491426 -10.56270      33.52633 
1 1 1 -14 13 33 o 262.5128 9.738358 2041.055       149.6695 2378.197       436.6273 1996.166       159.3223 274.3555 27.50669 259.3984 10.49437 14.95709       29.44061 
1 1 1 -14 13 34 o 276.1577 8.072134 2253.159       130.5959 2413.781       446.1406 2238.106       136.5785 274.9318 28.06227 275.1279 8.474523 -0.1960754     29.31397 
1 1 1 -14 13 35 o 323.1908 8.058702 3086.426       152.7477 2260.994       459.7418 3188.850       161.9475 262.5340 30.42161 328.2910 8.418280 -65.75699      31.56488 
1 1 1 -14 13 36 o 126.9831 12.95278 488.8344       95.11334 429.1082       394.1505 492.5274       98.00977 111.5417 42.85837 127.3485 13.31951 -15.80687      44.88039 
1 1 1 -14 13 37 f 125.6077 12.90648 480.3810       93.72552 378.7359       392.6601 486.5221       96.51530 105.1300 42.05295 126.3009 13.22573 -21.17092      44.08368 
1 1 1 -14 13 38 o 207.3744 9.049718 1283.463       109.7978 1084.901       410.6025 1298.755       113.9474 162.7242 42.55107 208.4890 9.342762 -45.76486      43.56468 
1 1 1 -14 13 39 o 216.2180 10.26326 1404.834       129.7735 1343.426       394.9394 1412.267       137.4032 186.6047 37.39143 216.4806 10.85715 -29.87585      38.93580 
1 1 1 -14 13 40 o 109.6369 15.11397 377.2955       94.59918 243.7940       352.2685 387.6712       98.20654 89.61997 38.17088 110.9684 15.51338 -21.34846      41.20293 
1 1 1 -14 13 41 o 125.7904 13.47630 491.1999       97.87110 449.3861       347.1422 494.8105       102.0092 101.8005 39.91177 125.9612 14.04748 -24.16068      42.31172 
1 1 1 -14 13 42 o 129.9270 12.83922 522.7632       96.55613 179.9850       340.2465 552.7859       100.6959 82.23273 36.23825 133.5352 13.02306 -51.30247      38.50728 
1 1 1 -14 13 43 o 36.90077 17.13134 -58.74783      88.92542 -17.12786      347.0536 -61.67233      91.99664 71.69756 33.47250 37.39408 17.38230 34.30349       37.71674 
1 1 1 -14 13 44 o 53.18293 21.17611 69.77829       99.11111 16.43428       133.4458 135.4031       148.0117 52.02665 22.81853 66.18714 26.02757 -14.16050      34.61386 
1 1 1 -14 13 45 o 47.57199 20.76440 12.40444       109.3345 -170.1857      156.5068 186.4578       152.8044 43.09899 20.77567 72.24468 26.92525 -29.14569      34.00879 
1 1 1 -14 13 46 o 145.5435 14.33736 675.1078       120.7933 598.9562       175.1126 744.2363       166.8423 128.2542 24.16691 147.9003 19.72617 -19.64609      31.19553 
1 1 1 -14 13 47 o 60.61092 23.89868 111.8331       125.0842 -110.8956      184.2182 302.3620       170.3824 49.78388 23.59271 86.10287 28.74987 -36.31899      37.19101 
1 1 1 -14 14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 14 2  o 551.1122 14.01881 8940.507       452.7402 8859.067       624.2585 9030.874       657.5831 547.6246 19.46805 552.7350 20.31997 -5.110413      28.14083 
1 1 1 -14 14 3  o 456.6493 16.99747 6152.354       454.4217 6152.354       454.4217 0.000000       0.000000 456.6493 16.99747 ?        ?        0.000000       16.99747 
1 1 1 -14 14 4  o 426.2875 11.79632 5345.313       294.6333 4806.434       380.2357 6155.061       466.1029 403.6597 16.09379 456.6516 17.43592 -52.99191      23.72807 
1 1 1 -14 14 5  o 457.2345 10.92382 6143.241       292.9301 6401.558       465.7564 5974.194       376.7790 465.7452 17.08032 450.3454 14.28368 15.39987       22.26569 
1 1 1 -14 14 6  o 378.8917 10.15920 4220.549       225.5448 4310.222       338.2678 4148.773       302.6356 382.3064 15.11665 375.2480 13.77491 7.058441       20.45144 
1 1 1 -14 14 7  o 84.57874 18.50754 219.2756       89.24706 239.7048       108.9611 177.6327       155.5667 88.29005 21.29198 80.48254 27.47076 7.807503       34.75616 
1 1 1 -14 14 8  o 96.82060 16.16759 283.6513       88.56943 300.4183       106.8408 246.8126       158.3659 99.22650 19.05188 90.72732 27.43648 8.499184       33.40261 
1 1 1 -14 14 9  o 251.4465 9.570416 1860.207       140.8749 1970.405       196.9957 1744.870       201.5362 258.4385 13.03930 243.0159 14.20251 15.42268       19.28042 
1 1 1 -14 14 10 f 541.4421 11.63748 8622.200       369.5400 8956.663       623.4571 8441.053       458.8261 550.0692 19.35602 535.0647 14.63522 15.00446       24.26614 
1 1 1 -14 14 11 o 294.2171 9.206230 2545.891       158.6593 2638.250       235.3018 2468.892       214.8469 299.0175 13.45215 289.3416 12.69187 9.675842       18.49443 
1 1 1 -14 14 12 o 216.8786 26.88125 1424.500       334.5997 0.000000       0.000000 1424.500       334.5997 ?        ?        216.8786 26.88125 0.000000       26.88125 
1 1 1 -14 14 13 o 345.8443 10.33818 3520.700       209.4535 3629.670       251.0556 3271.169       379.9098 350.8990 12.21801 331.6996 19.61682 19.19934       23.11059 
1 1 1 -14 14 14 o 205.9817 18.24993 1265.932       218.1863 1002.546       348.0809 1436.397       280.0279 179.0538 34.39692 218.6771 22.13940 -39.62335      40.90601 
1 1 1 -14 14 15 o 361.0110 14.10416 3851.948       298.0450 4705.548       524.7279 3445.394       362.1318 396.7107 22.64737 340.4945 18.20065 56.21625       29.05455 
1 1 1 -14 14 16 o 307.6276 8.661746 2784.515       156.1165 2524.973       231.0090 3002.695       211.8032 292.2012 13.51682 319.0822 11.33627 -26.88095      17.64130 
1 1 1 -14 14 17 o 325.7776 9.245069 3124.650       176.4585 2984.488       219.7949 3378.800       295.9697 317.9776 11.80661 337.7015 14.98118 -19.72394      19.07438 
1 1 1 -14 14 18 o 304.5249 8.123107 2728.502       144.9464 2811.221       211.7051 2655.511       198.8671 308.5551 11.72029 299.9450 11.32535 8.610077       16.29812 
1 1 1 -14 14 19 o 283.7733 7.091490 2366.484       118.0211 2004.633       385.8625 2403.829       123.9619 256.5561 26.00356 285.8813 7.399752 -29.32516      27.03593 
1 1 1 -14 14 20 o 143.4590 9.165764 608.3020       76.71305 409.8641       349.0301 618.3746       78.63590 117.9158 41.10791 144.6273 9.320484 -26.71148      42.15130 
1 1 1 -14 14 21 o 81.39211 16.30428 203.5952       75.11267 160.1729       343.0945 205.7812       76.98011 96.54719 39.06693 81.78439 16.61678 14.76280       42.45400 
1 1 1 -14 14 22 o 305.7724 7.265178 2749.113       130.2852 2480.529       444.9980 2774.294       136.2559 284.4400 26.99906 307.1347 7.564422 -22.69470      28.03871 
1 1 1 -14 14 23 o 140.2527 10.33799 583.1324       84.43741 444.5433       341.0906 592.1798       87.14997 120.2938 40.68201 141.3045 10.59336 -21.01069      42.03862 
1 1 1 -14 14 24 o 164.9191 9.103894 803.4114       87.71227 1159.733       356.6618 780.4741       90.49137 191.2357 32.99240 162.4822 9.538171 28.75352       34.34349 
1 1 1 -14 14 25 o 76.22787 22.61917 177.6661       108.4072 202.2422       372.5762 175.3930       113.3098 102.0815 40.91920 76.06225 23.24980 26.01925       47.06309 
1 1 1 -14 14 26 o 222.7480 8.548708 1462.625       111.4700 2475.516       456.3055 1398.343       114.9528 283.7032 27.78034 217.7252 9.021988 65.97798       29.20862 
1 1 1 -14 14 27 o 153.8632 13.39612 706.1463       119.6789 1023.155       432.3618 679.8417       124.5453 175.1745 42.51935 150.7788 14.25352 24.39563       44.84482 
1 1 1 -14 14 28 o 219.8468 10.11052 1428.865       130.0110 2514.580       423.5542 1315.928       136.6057 286.3577 25.48627 210.7845 11.08945 75.57323       27.79435 
1 1 1 -14 14 29 o 454.7619 8.417697 6092.433       224.5060 7690.220       674.1517 5893.131       238.0966 503.1007 22.90832 447.0935 9.080384 56.00723       24.64233 
1 1 1 -14 14 30 o 181.0603 9.627670 970.5687       101.8664 1539.516       420.7590 935.1446       104.9898 218.0862 34.00570 177.6266 10.12020 40.45955       35.47965 
1 1 1 -14 14 31 f 164.1817 10.57048 800.8336       101.2410 0.000000       0.000000 800.8336       101.2410 ?        ?        164.1817 10.57048 0.000000       10.57048 
1 1 1 -14 14 32 o 101.7794 15.34683 316.5222       88.76176 -325.4190      394.2383 350.8008       91.10081 74.29669 34.99857 107.3784 14.86441 -33.08168      38.02434 
1 1 1 -14 14 33 o 181.9826 10.00370 983.3376       106.3573 313.8060       447.0617 1023.505       109.5012 110.5835 44.64934 185.6520 10.09499 -75.06848      45.77633 
1 1 1 -14 14 34 o 202.5862 9.267585 1217.277       109.8184 1621.785       472.6544 1194.194       112.9083 216.2433 38.68976 200.5624 9.627107 15.68092       39.86952 
1 1 1 -14 14 35 o 148.0155 11.13074 656.1925       95.91542 712.9919       406.7142 652.8475       98.69930 136.9424 44.35445 147.5327 11.49783 -10.59032      45.82049 
1 1 1 -14 14 36 o 229.3086 8.567430 1561.651       115.0157 1260.646       412.9456 1586.965       119.7545 184.2702 39.40412 231.0634 8.853486 -46.79323      40.38649 
1 1 1 -14 14 37 o 145.5110 11.61782 639.9100       98.32224 815.4225       394.0406 628.2567       101.5339 140.2630 43.44427 143.9778 12.13737 -3.714813      45.10788 
1 1 1 -14 14 38 o 85.16608 18.44987 234.9201       89.48378 141.1077       387.2893 240.2107       91.97242 87.67049 38.64734 86.02107 18.76029 1.649414       42.96004 
1 1 1 -14 14 39 o 147.2792 11.03876 656.6503       94.65440 661.3242       388.6483 656.3557       97.59303 122.0244 43.30896 147.0932 11.40192 -25.06873      44.78471 
1 1 1 -14 14 40 o 97.25611 16.80444 303.5074       92.38453 636.5698       393.4221 284.0699       95.04208 116.8023 43.26588 93.45808 17.99282 23.34418       46.85807 
1 1 1 -14 14 41 o 55.59772 20.94201 85.64413       92.95123 221.7259       340.4128 74.68061       96.62304 85.41773 36.96611 54.34331 21.12826 31.07442       42.57812 
1 1 1 -14 14 42 o 124.4248 13.72421 484.1310       98.48674 531.5143       372.5288 480.5704       102.1201 104.8743 41.27644 123.6098 14.35322 -18.73552      43.70079 
1 1 1 -14 14 43 o 96.64368 18.71553 312.2213       102.2451 352.8315       382.2221 309.0914       106.1121 90.80505 39.23382 95.60789 19.58360 -4.802841      43.84985 
1 1 1 -14 14 44 o 39.78754 18.55534 -68.81866      106.1921 106.7257       155.9676 -220.5202      144.9893 63.37363 26.07453 38.86285 19.01749 24.51078       32.27299 
1 1 1 -14 14 45 o 81.79638 22.45591 240.9150       110.9876 290.9468       160.5748 195.1475       153.5791 86.09979 27.86823 73.14640 27.04366 12.95339       38.83294 
1 1 1 -14 14 46 o 89.55969 23.51101 295.6612       125.0352 232.6390       179.9959 354.4320       173.8187 77.20013 29.12834 93.32340 28.84562 -16.12328      40.99427 
1 1 1 -14 14 47 o 46.39012 21.14251 -27.79293      126.9795 175.9602       183.1666 -216.3177      176.1888 70.58186 28.55032 43.64576 21.27210 26.93609       35.60370 
1 1 1 -14 15 1  o 419.2340 11.85498 5171.299       291.1868 5289.977       399.0939 5036.205       425.8033 423.4229 16.10060 412.8722 17.62558 10.55072       23.87238 
1 1 1 -14 15 2  o 579.8406 20.32382 9946.448       690.0688 9946.448       690.0688 0.000000       0.000000 579.8406 20.32382 ?        ?        0.000000       20.32382 
1 1 1 -14 15 3  o 534.0709 19.02537 8431.354       594.9607 8431.354       594.9607 0.000000       0.000000 534.0709 19.02537 ?        ?        0.000000       19.02537 
1 1 1 -14 15 4  o 350.7476 12.85109 3623.741       263.9068 3814.728       305.9805 3068.982       521.4881 359.6628 14.53595 319.9316 28.07754 39.73111       31.61712 
1 1 1 -14 15 5  o 387.6790 10.18574 4419.243       231.3869 4648.545       356.4409 4252.234       304.1953 396.9417 15.34011 379.8597 13.67691 17.08200       20.55182 
1 1 1 -14 15 6  o 556.4870 11.96110 9107.325       390.3702 8773.470       619.8655 9326.766       502.5461 544.5600 19.44010 562.4385 15.24935 -17.87848      24.70749 
1 1 1 -14 15 7  o 149.4469 11.31539 660.4299       98.43911 725.2216       123.8206 549.1345       162.2826 156.3690 13.63812 134.6130 21.26084 21.75601       25.25909 
1 1 1 -14 15 8  o 48.88242 19.24260 40.08980       80.97501 22.73096       98.05262 77.31830       143.5941 50.17432 20.66216 65.64266 25.68898 -15.46834      32.96739 
1 1 1 -14 15 9  o 459.0844 10.55411 6196.234       284.1610 6193.746       455.2493 6197.822       363.7148 457.7453 16.98748 458.5644 13.53898 -0.8190918     21.72276 
1 1 1 -14 15 10 o 342.7879 9.340691 3455.601       187.6074 3607.323       291.1829 3347.918       245.3097 349.5814 14.23233 337.0240 12.43221 12.55743       18.89759 
1 1 1 -14 15 11 o 416.3085 9.979643 5095.516       243.6581 4995.445       381.3058 5164.578       316.7687 411.0848 15.84548 418.5540 12.91995 -7.469177      20.44515 
1 1 1 -14 15 12 o 286.3494 9.772504 2413.707       163.8761 2400.659       219.6122 2430.101       246.1660 285.1271 13.16867 286.6310 14.69285 -1.503967      19.73052 
1 1 1 -14 15 13 o 364.5106 19.01732 3949.339       405.1401 0.000000       0.000000 3949.339       405.1401 ?        ?        364.5106 19.01732 0.000000       19.01732 
1 1 1 -14 15 14 o 188.9161 8.753682 1051.411       96.72260 1075.906       130.6630 1021.717       143.8601 190.7613 11.73598 185.6561 13.30049 5.105209       17.73799 
1 1 1 -14 15 15 o 557.9402 11.62102 9172.032       380.2617 8890.502       625.5976 9336.997       478.8820 546.6046 19.54659 561.9965 14.54151 -15.39191      24.36236 
1 1 1 -14 15 16 o 266.6326 9.326427 2094.101       145.6162 1961.078       193.0017 2269.889       221.8673 257.4934 12.82073 276.9095 13.70429 -19.41605      18.76642 
1 1 1 -14 15 17 o 444.8934 8.065262 5819.297       210.4384 6192.605       574.3642 5761.416       226.1651 454.8017 21.59520 442.5785 8.713344 12.22321       23.28679 
1 1 1 -14 15 18 o 250.6959 7.200746 1848.576       105.7609 2143.872       392.1973 1825.418       109.8295 265.5895 25.49191 249.0842 7.526982 16.50533       26.57993 
1 1 1 -14 15 19 o 145.3374 9.534115 624.6549       80.81718 261.5845       351.8152 644.8810       83.03778 105.3334 40.48659 147.6678 9.640971 -42.33433      41.61866 
1 1 1 -14 15 20 o 137.7546 9.413109 561.4446       75.59138 285.8856       363.0975 573.9286       77.28472 107.9106 41.21745 139.2709 9.519230 -31.36030      42.30241 
1 1 1 -14 15 21 o 170.6966 8.733877 859.9519       87.14376 1203.767       363.6562 839.0060       89.75900 195.0392 32.96560 168.5509 9.114126 26.48836       34.20231 
1 1 1 -14 15 22 o 258.5733 7.367065 1967.710       111.6055 1796.274       394.3051 1982.640       116.3640 241.0324 28.44074 259.5160 7.653828 -18.48360      29.45262 
1 1 1 -14 15 23 o 169.1502 9.089896 845.0186       89.84293 1158.398       382.2698 826.6965       92.43201 190.0193 35.61028 167.2511 9.461889 22.76823       36.84589 
1 1 1 -14 15 24 o 334.4845 7.785368 3291.054       152.7234 2872.856       454.9341 3344.170       162.1324 306.9206 25.50411 337.1151 8.200516 -30.19449      26.79007 
1 1 1 -14 15 25 o 328.1833 7.972838 3168.703       153.4546 3586.971       524.7542 3129.590       160.4693 342.7568 26.30579 325.9857 8.400495 16.77115       27.61454 
1 1 1 -14 15 26 o 85.59147 19.53843 227.6650       95.91180 314.2769       439.8893 223.3420       98.27625 114.9477 44.96889 84.70821 20.08844 30.23952       49.25187 
1 1 1 -14 15 27 o 347.9344 7.971314 3562.850       162.6589 3436.312       507.9362 3577.310       171.7010 334.9582 26.06134 348.5699 8.399095 -13.61166      27.38135 
1 1 1 -14 15 28 o 311.6852 8.988104 2865.621       164.1274 3442.748       478.5888 2788.699       174.7231 335.5552 24.48769 307.3193 9.706326 28.23596       26.34122 
1 1 1 -14 15 29 o 125.8911 13.31973 475.5306       96.85275 1091.150       443.2766 444.6682       99.25079 178.6882 42.85228 121.5011 14.19568 57.18711       45.14239 
1 1 1 -14 15 30 o 279.0903 10.18611 2305.679       166.4465 0.000000       0.000000 2305.679       166.4465 ?        ?        279.0903 10.18611 0.000000       10.18611 
1 1 1 -14 15 31 o 175.9763 9.787460 918.2754       100.6145 524.0734       419.5102 942.3347       103.6394 126.0824 44.96988 178.2400 9.954008 -52.15759      46.05835 
1 1 1 -14 15 32 o 38.79945 17.57550 -44.89062      86.10772 165.5181       430.2651 -53.66927      87.88565 100.7737 42.52031 38.42762 17.54261 62.34606       45.99695 
1 1 1 -14 15 33 o 210.9866 9.174103 1319.104       113.2478 836.4472       452.2925 1351.388       116.9739 150.1291 46.55230 213.5112 9.364301 -63.38210      47.48480 
1 1 1 -14 15 34 o 28.24420 13.97216 -190.4294      85.56577 -388.5692      436.3664 -182.5062      87.25979 75.12231 35.80277 29.09739 14.34082 46.02492       38.56809 
1 1 1 -14 15 35 o 127.7229 12.40691 493.1341       91.76619 770.3397       445.4566 480.8487       93.77763 138.7920 46.48895 125.9637 12.87504 12.82835       48.23888 
1 1 1 -14 15 36 o 197.9328 9.256655 1168.003       107.1563 724.6592       437.3140 1196.322       110.5257 131.5264 46.00318 200.2585 9.437245 -68.73206      46.96120 
1 1 1 -14 15 37 o 125.2193 12.47308 477.7980       90.38297 549.1051       408.6933 474.1312       92.67771 115.5820 43.82810 124.5841 12.86919 -9.002113      45.67842 
1 1 1 -14 15 38 o 193.6277 9.102075 1121.147       103.0721 1136.422       404.9911 1120.089       106.5817 165.8479 41.68963 193.4012 9.425029 -27.55330      42.74174 
1 1 1 -14 15 39 o 115.0486 14.18538 411.5877       93.68875 71.62818       374.9689 434.2241       96.75765 81.50313 36.82137 118.1797 14.24733 -36.67654      39.48163 
1 1 1 -14 15 40 o 129.6305 13.33469 520.4788       99.93301 -89.90002      400.1815 561.0733       103.2027 74.78904 35.24001 134.6848 13.23617 -59.89573      37.64378 
1 1 1 -14 15 41 o 131.0612 12.89703 531.7446       97.84927 138.6145       403.8619 556.2611       100.8542 83.19469 37.83440 134.0198 12.99428 -50.82509      40.00367 
1 1 1 -14 15 42 o 184.5774 10.24522 1034.260       110.4697 754.9670       372.1367 1061.250       115.6844 122.1793 42.45581 186.7505 10.60600 -64.57120      43.76052 
1 1 1 -14 15 43 o 55.94340 21.76255 85.59282       102.5565 326.8476       367.6665 65.23777       106.7953 88.59911 38.38001 53.64781 21.76404 34.95129       44.12141 
1 1 1 -14 15 44 o 53.75543 21.70900 69.21362       105.7110 -247.8370      412.4859 91.50076       109.3634 66.65706 32.50080 57.19387 22.40820 9.463184       39.47696 
1 1 1 -14 15 45 o 49.95355 21.55058 28.59110       114.9795 -107.0887      168.9239 145.7132       156.9469 48.09027 22.73116 67.00889 26.65876 -18.91862      35.03420 
1 1 1 -14 15 46 o 179.4939 13.44332 1016.238       140.4883 1010.688       198.4904 1021.810       198.8710 171.9268 20.06206 172.9872 19.96838 -1.060318      28.30588 
1 1 1 -14 16 1  o 578.1940 14.52302 9852.420       492.0815 8963.174       638.8517 11149.66       771.6133 550.2680 19.82832 613.3148 21.48508 -63.04675      29.23647 
1 1 1 -14 16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 3  o 450.6179 16.76180 5998.091       442.2034 5998.091       442.2034 0.000000       0.000000 450.6179 16.76180 ?        ?        0.000000       16.76180 
1 1 1 -14 16 4  o 423.7265 13.82481 5292.284       343.0944 5754.763       419.8495 4362.634       595.2608 441.4451 16.24455 381.8710 26.74824 59.57407       31.29463 
1 1 1 -14 16 5  o 347.3739 9.689127 3548.589       197.2005 3584.830       290.3377 3517.551       268.6862 348.5719 14.23229 345.4160 13.28811 3.155884       19.47131 
1 1 1 -14 16 6  o 87.96480 15.78148 235.0393       78.42419 204.7049       92.99364 309.7419       145.9331 81.57723 19.66821 100.1221 24.94495 -18.54485      31.76616 
1 1 1 -14 16 7  o 572.8984 12.13315 9658.177       407.6632 9823.911       677.8722 9564.274       510.2434 575.6994 20.10800 569.3194 15.29553 6.380005       25.26430 
1 1 1 -14 16 8  o 70.29093 18.42837 151.4279       76.88391 216.3501       93.10569 12.25866       136.3174 83.85445 19.32843 56.91561 23.96964 26.93884       30.79175 
1 1 1 -14 16 9  o 342.7987 9.338336 3456.318       187.5661 3580.368       288.6597 3365.668       246.7586 348.2236 14.16396 337.8677 12.47445 10.35587       18.87405 
1 1 1 -14 16 10 o 34.45156 15.50799 -33.14783      65.81970 -18.57852      78.90792 -66.46889      119.3330 40.09914 17.56808 45.71062 20.69980 -5.611485      27.14994 
1 1 1 -14 16 11 o 299.4131 21.80377 2679.335       380.2474 0.000000       0.000000 2679.335       380.2474 ?        ?        299.4131 21.80377 0.000000       21.80377 
1 1 1 -14 16 12 o 367.6318 9.369488 3976.787       201.8484 4129.809       322.0450 3877.780       259.0445 373.7143 14.72234 362.5919 12.19901 11.12234       19.11971 
1 1 1 -14 16 13 o 410.4287 11.20694 4964.319       269.5062 5134.071       383.8155 4799.220       378.5182 416.3921 15.74536 402.4833 16.06801 13.90878       22.49661 
1 1 1 -14 16 14 o 290.1368 9.608049 2479.382       163.2635 2331.424       218.6935 2665.658       245.3836 280.7599 13.31958 300.1266 13.97929 -19.36670      19.30885 
1 1 1 -14 16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 16 o 182.8390 8.059916 984.7892       86.21471 240.2719       378.1152 1025.619       88.54719 106.3081 41.66160 186.5927 8.110886 -80.28456      42.44379 
1 1 1 -14 16 17 o 173.8990 8.555720 891.7186       86.98991 2140.092       388.7010 825.8973       89.25375 265.4049 25.27703 167.2752 9.132610 98.12970       26.87625 
1 1 1 -14 16 18 o 223.8504 7.505648 1474.878       98.39703 1508.014       379.9449 1472.496       101.8726 220.3781 30.18963 223.6385 7.778968 -3.260406      31.17573 
1 1 1 -14 16 19 o 136.6221 9.931646 552.8457       79.03452 150.1461       348.7582 574.6460       81.14561 96.39152 39.24649 139.2942 9.999558 -42.90264      40.50035 
1 1 1 -14 16 20 o 98.87102 13.58711 294.5919       76.70421 -353.8295      392.1934 320.3809       78.21467 74.83847 35.14542 103.2515 13.21924 -28.41304      37.54929 
1 1 1 -14 16 21 o 58.08353 19.00017 97.21823       74.53542 -99.63481      375.6816 105.2844       76.04716 83.96287 37.47797 59.93259 19.15789 24.03028       42.09065 
1 1 1 -14 16 22 o 241.2344 7.797559 1713.651       110.1736 1743.482       403.0332 1711.241       114.5361 236.8855 29.65848 241.0227 8.114346 -4.137192      30.74847 
1 1 1 -14 16 23 f 277.2661 7.736757 2263.052       125.6844 1906.553       440.1232 2294.705       131.1455 247.2544 31.03330 279.1601 8.018622 -31.90569      32.05252 
1 1 1 -14 16 24 o 158.6829 13.20538 750.0338       121.7814 464.4382       476.9103 769.9554       125.9573 128.0168 47.59531 160.7376 13.48572 -32.72076      49.46896 
1 1 1 -14 16 25 o 285.9507 9.859446 2412.942       165.0988 0.000000       0.000000 2412.942       165.0988 ?        ?        285.9507 9.859446 0.000000       9.859446 
1 1 1 -14 16 26 o 55.84980 24.88812 -55.36305      164.9607 -393.2166      398.5983 14.46133       181.2069 73.90358 34.92803 64.51845 27.42456 9.385132       44.40804 
1 1 1 -14 16 27 o 445.3874 8.995070 5845.925       234.9595 0.000000       0.000000 5845.925       234.9595 ?        ?        445.3874 8.995070 0.000000       8.995070 
1 1 1 -14 16 28 o 77.53876 19.79170 187.7508       90.29440 789.5780       428.4382 159.7772       92.36906 151.7879 44.94825 71.93385 20.75159 79.85403       49.50731 
1 1 1 -14 16 29 o 120.4310 14.34641 437.7299       99.33879 864.5000       440.2411 414.8347       101.9686 157.1035 45.29824 116.9854 15.22295 40.11811       47.78775 
1 1 1 -14 16 30 o 44.72679 19.28414 -4.875338      91.95947 85.80173       398.0559 -9.987711      94.51627 94.25092 40.37075 44.75106 19.42216 49.49986       44.79975 
1 1 1 -14 16 31 o 215.5229 8.923831 1374.071       112.5524 776.0823       458.3425 1412.445       116.1076 146.8830 47.04124 218.4830 9.081138 -71.59998      47.90977 
1 1 1 -14 16 32 o 199.9191 9.451711 1184.797       110.5055 1065.676       431.8043 1193.145       114.3122 172.7964 42.82674 200.5551 9.747896 -27.75873      43.92210 
1 1 1 -14 16 33 o 100.3128 16.42000 311.0402       93.26151 300.2871       462.8589 311.4953       95.21431 108.9118 44.87566 100.2793 16.78228 8.632462       47.91106 
1 1 1 -14 16 34 o 83.92366 18.64345 223.6334       89.37633 843.1835       423.2368 194.7155       91.43839 147.8558 44.88234 78.02618 19.91699 69.82963       49.10306 
1 1 1 -14 16 35 o 89.84543 17.23408 254.9618       87.50770 -332.5964      393.1789 285.5833       89.75904 70.75286 33.79338 95.42326 16.64379 -24.67039      37.66972 
1 1 1 -14 16 36 o 205.1036 9.015509 1254.233       108.1812 1311.670       441.4884 1250.564       111.5829 181.7145 42.23218 204.6875 9.319589 -22.97302      43.24826 
1 1 1 -14 16 37 o 123.6720 12.47054 466.9072       89.21572 271.8118       434.8617 475.4796       91.15470 96.94597 41.86759 124.7488 12.63322 -27.80287      43.73206 
1 1 1 -14 16 38 o 48.64783 20.42175 26.58778       98.44974 -801.1171      413.5716 76.30858       101.3636 58.59848 29.26982 55.88755 21.66482 2.710930       36.41548 
1 1 1 -14 16 39 o 140.8959 11.98369 606.6739       98.08504 789.9601       412.3729 595.6826       100.9832 128.4657 44.68906 139.3662 12.48716 -10.90051      46.40088 
1 1 1 -14 16 40 o 76.54199 20.54547 198.3750       94.15133 -187.7806      395.8941 221.5245       96.93238 70.63297 33.78336 80.93047 20.42475 -10.29751      39.47766 
1 1 1 -14 16 41 o 52.02810 20.60643 63.64363       93.37518 498.0603       393.5938 37.73582       96.11922 102.0995 41.64694 48.88461 20.32403 53.21488       46.34149 
1 1 1 -14 16 42 o 57.22919 21.65245 95.10933       99.61639 35.95058       356.0375 100.1338       103.7605 74.21449 34.39369 58.39071 22.09681 15.82378       40.88025 
1 1 1 -14 16 43 o 104.1952 17.92504 360.3724       105.5870 305.6865       382.8012 364.8755       109.8484 86.71331 38.31549 104.3893 18.62600 -17.67603      42.60288 
1 1 1 -14 16 44 o 42.90725 19.57508 -36.49943      109.2046 -8.662154      423.4470 -38.48278      113.0280 74.00447 35.26968 43.48153 19.86672 30.52294       40.48008 
1 1 1 -14 16 45 o 71.70272 23.72028 187.3894       116.0446 292.7973       160.1400 70.83465       168.3946 85.78553 27.83554 60.26972 26.04104 25.51581       38.11762 
1 1 1 -14 16 46 o 46.62000 21.38345 -37.81080      132.6440 80.31339       190.9525 -147.9593      184.3934 62.71739 27.40682 47.92281 22.95738 14.79457       35.75158 
1 1 1 -14 17 1  o 404.7367 11.47437 4822.392       272.0905 4864.500       368.5675 4771.956       403.3714 405.8489 15.51324 401.6448 17.16386 4.204102       23.13566 
1 1 1 -14 17 2  o 375.3548 16.27017 4165.174       357.3154 0.000000       0.000000 4165.174       357.3154 ?        ?        375.3548 16.27017 0.000000       16.27017 
1 1 1 -14 17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 17 4  o 217.8862 9.340087 1397.668       119.0752 1447.209       157.0092 1330.597       182.6886 221.4243 12.13706 211.9388 14.79056 9.485550       19.13293 
1 1 1 -14 17 5  o 142.1857 10.75720 597.9373       89.03723 628.3153       108.6047 535.6658       155.4940 145.5151 12.85811 132.9313 20.61205 12.58383       24.29378 
1 1 1 -14 17 6  o 265.0421 8.981983 2066.619       139.4150 2047.149       193.7361 2087.530       200.7777 263.3784 12.57874 265.9240 12.91241 -2.545624      18.02651 
1 1 1 -14 17 7  o 283.0927 9.056544 2357.691       150.1698 2462.248       217.7921 2262.931       207.3377 288.8358 12.88950 276.8871 12.80272 11.94879       18.16725 
1 1 1 -14 17 8  o 78.77572 16.36417 190.0732       73.12925 225.5525       89.97262 121.0064       125.5329 85.67736 18.45163 68.78181 24.59215 16.89555       30.74470 
1 1 1 -14 17 9  o 209.8011 8.864393 1296.050       108.8247 1279.641       149.2592 1314.672       159.0056 208.0721 12.28610 210.8234 12.92214 -2.751343      17.83059 
1 1 1 -14 17 10 o 171.0122 9.556978 862.7069       95.47005 888.1799       125.6926 827.9716       146.7761 173.1726 12.45928 166.7569 15.17395 6.415634       19.63370 
1 1 1 -14 17 11 o 487.2108 20.96972 7075.177       597.7808 0.000000       0.000000 7075.177       597.7808 ?        ?        487.2108 20.96972 0.000000       20.96972 
1 1 1 -14 17 12 f 188.6949 33.17306 1112.632       353.7161 0.000000       0.000000 1112.632       353.7161 ?        ?        188.6949 33.17306 0.000000       33.17306 
1 1 1 -14 17 13 o 201.9557 8.281004 1201.058       97.87401 0.000000       0.000000 1201.058       97.87401 ?        ?        201.9557 8.281004 0.000000       8.281004 
1 1 1 -14 17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 17 15 o 336.9889 11.84210 3353.498       233.6788 0.000000       0.000000 3353.498       233.6788 ?        ?        336.9889 11.84210 0.000000       11.84210 
1 1 1 -14 17 16 o 236.7212 7.385073 1648.756       102.4026 1882.756       407.7354 1633.003       105.7934 247.5013 28.61642 235.5555 7.668212 11.94580       29.62602 
1 1 1 -14 17 17 o 257.2127 7.437950 1946.674       112.0830 2404.610       398.1051 1907.251       116.8080 281.5000 24.35327 254.5449 7.833843 26.95508       25.58224 
1 1 1 -14 17 18 o 212.5861 8.123229 1331.438       101.0914 1587.044       375.1854 1311.428       104.9738 226.4471 28.90898 210.9330 8.503087 15.51411       30.13357 
1 1 1 -14 17 19 o 498.6805 8.685801 7320.275       254.0287 6974.389       630.9922 7387.178       277.5111 481.0972 22.42525 500.7788 9.448957 -19.68158      24.33463 
1 1 1 -14 17 20 o 340.2197 7.551449 3404.242       150.6747 3411.388       466.4978 3403.410       159.2079 335.3921 23.87232 340.1195 7.981465 -4.727386      25.17124 
1 1 1 -14 17 21 o 185.1556 8.671902 1011.417       93.90601 447.4951       435.0971 1038.969       96.17267 124.6777 45.61649 187.6541 8.762825 -62.97640      46.45052 
1 1 1 -14 17 22 o 89.11662 16.92665 243.8618       85.23282 262.0988       417.3710 243.0682       87.06765 109.9174 43.55595 88.89083 17.32409 21.02661       46.87477 
1 1 1 -14 17 23 o 41.46743 18.44084 -31.93699      90.08639 -657.7619      473.9636 -8.480596      91.75911 74.60880 36.01193 44.51756 19.22887 30.09124       40.82412 
1 1 1 -14 17 24 o 242.9267 8.671189 1739.550       123.3410 2460.602       503.1492 1693.450       127.2228 281.1815 31.02650 239.6232 9.069219 41.55830       32.32483 
1 1 1 -14 17 25 o 434.8597 8.384554 5566.820       213.8354 5389.708       600.5224 5592.538       228.8345 421.1820 24.41601 435.7442 8.954457 -14.56223      26.00622 
1 1 1 -14 17 26 o 254.0965 8.357611 1903.297       124.3770 1277.243       456.6732 1953.457       129.2635 196.0858 41.03062 257.3910 8.575092 -61.30515      41.91711 
1 1 1 -14 17 27 o 259.0707 10.01090 1983.945       151.8181 0.000000       0.000000 1983.945       151.8181 ?        ?        259.0707 10.01090 0.000000       10.01090 
1 1 1 -14 17 28 o 83.34831 22.84063 218.3768       114.9419 215.6894       393.9028 218.6269       120.1719 102.8434 41.77015 83.45477 23.53874 19.38860       47.94599 
1 1 1 -14 17 29 o 170.0514 10.45109 858.5839       103.7263 1267.921       403.1569 829.5667       107.3399 195.3896 36.52468 167.0264 11.01942 28.36325       38.15075 
1 1 1 -14 17 30 o 242.5894 8.548668 1738.815       121.4343 1695.326       416.3411 1742.858       126.9544 228.9167 31.87473 242.7880 8.931221 -13.87129      33.10234 
1 1 1 -14 17 31 o 201.7435 9.212723 1205.446       108.7152 1158.995       433.8233 1208.559       112.2985 181.8101 41.59047 201.9392 9.508772 -20.12903      42.66361 
1 1 1 -14 17 32 o 129.3252 13.51463 505.0095       100.9919 1510.925       437.3333 448.3452       103.7975 210.5677 36.74974 121.3920 14.89117 89.17567       39.65211 
1 1 1 -14 17 33 o 193.4650 9.847458 1113.225       111.3643 0.000000       0.000000 1113.225       111.3643 ?        ?        193.4650 9.847458 0.000000       9.847458 
1 1 1 -14 17 34 o 44.54786 18.85208 11.24382       84.98925 166.3638       393.7605 3.664150       87.04092 93.62376 40.12825 44.05992 18.87528 49.56384       44.34583 
1 1 1 -14 17 35 o 167.1557 10.08263 836.5953       98.38335 635.9041       393.4379 849.9816       101.6115 125.2091 43.64513 168.4038 10.33805 -43.19474      44.85279 
1 1 1 -14 17 36 o 150.0456 10.92370 678.8185       95.46811 860.9111       393.1585 667.4090       98.41358 143.1418 43.21729 148.6005 11.37891 -5.458664      44.69020 
1 1 1 -14 17 37 o 134.7672 11.82950 552.3191       92.55009 68.72286       401.3898 579.4728       95.11292 84.28354 38.08521 138.0488 11.86271 -53.76529      39.88994 
1 1 1 -14 17 38 o 100.1666 16.30893 319.0045       92.51431 -453.1260      388.4053 365.4458       95.25591 63.68609 31.15659 107.7141 15.52668 -44.02797      34.81107 
1 1 1 -14 17 39 o 77.66013 20.54750 203.5014       95.02070 -76.28530      375.7843 222.6123       98.21230 73.57893 34.50573 81.20723 20.59464 -7.628304      40.18438 
1 1 1 -14 17 40 o 58.42390 21.26103 102.4895       94.33173 652.5133       382.6941 66.90860       97.33506 115.2217 42.67347 53.20558 21.04958 62.01608       47.58266 
1 1 1 -14 17 41 o 58.02691 21.50653 100.4023       97.23442 167.4347       398.6374 96.16184       100.2627 82.82684 37.63645 57.64018 21.74160 25.18665       43.46492 
1 1 1 -14 17 42 o 183.5782 10.62623 1028.282       113.9176 1613.583       402.5235 977.3217       118.7733 195.3103 36.48235 178.4286 11.41000 16.88167       38.22499 
1 1 1 -14 17 43 o 64.08929 22.39658 138.7524       103.6393 880.9941       425.6888 91.98465       106.8545 121.6473 45.01529 57.03421 22.20626 64.61305       50.19457 
1 1 1 -14 17 44 o 147.6848 14.18810 692.7137       121.3782 582.5961       420.0226 702.7475       126.7876 99.39443 41.97852 148.2875 14.77523 -48.89307      44.50284 
1 1 1 -14 17 45 o 61.15691 25.80858 91.50689       158.5563 -253.8153      355.3376 177.3557       177.1723 61.32735 29.95939 70.94244 28.29124 -9.615097      41.20631 
1 1 1 -14 17 46 o 84.45570 25.36627 275.8684       135.7027 189.5926       198.9415 350.9441       185.5797 72.14485 29.53987 90.76350 29.99547 -18.61865      42.09908 
1 1 1 -14 18 1  o 280.8816 9.742338 2322.237       160.2430 2306.945       207.7067 2344.720       251.8573 279.5858 12.70049 281.4648 15.31508 -1.878906      19.89608 
1 1 1 -14 18 2  o 355.8321 10.45901 3727.201       218.0292 3451.830       283.7363 4124.242       340.7007 341.8642 14.18257 373.4651 15.58936 -31.60095      21.07543 
1 1 1 -14 18 3  o 506.2784 12.98126 7556.271       385.1221 7332.086       525.0460 7817.361       566.6164 497.4818 18.02554 513.4590 18.84822 -15.97729      26.08017 
1 1 1 -14 18 4  o 259.8989 9.418587 1988.303       143.3250 1833.002       182.7684 2236.333       230.9749 249.1522 12.54834 274.9874 14.37181 -25.83524      19.07904 
1 1 1 -14 18 5  o 287.0203 9.841717 2425.320       165.4211 2435.730       219.5379 2411.645       251.6096 287.2040 13.06797 285.4482 15.08320 1.755829       19.95682 
1 1 1 -14 18 6  o 340.8788 10.26066 3421.161       204.8949 3462.941       280.5571 3373.407       299.9439 342.3643 14.00231 337.6800 15.18436 4.684296       20.65501 
1 1 1 -14 18 7  o 84.25809 14.85087 215.6849       70.70570 248.7265       86.58826 149.5642       122.4890 90.25826 16.98072 72.81783 24.37767 17.44043       29.70885 
1 1 1 -14 18 8  o 129.4467 11.14372 496.9364       83.77757 543.6847       107.1591 423.4410       134.3618 135.0733 13.71728 117.8055 20.17239 17.26776       24.39444 
1 1 1 -14 18 9  o 253.8509 8.684891 1896.642       129.1081 1844.791       181.9865 1949.182       183.1925 249.8619 12.45835 256.8912 12.19409 -7.029343      17.43291 
1 1 1 -14 18 10 o 273.4683 7.901821 2199.634       126.5986 0.000000       0.000000 2199.634       126.5986 ?        ?        273.4683 7.901821 0.000000       7.901821 
1 1 1 -14 18 11 o 402.5146 9.216450 4765.901       217.5684 0.000000       0.000000 4765.901       217.5684 ?        ?        402.5146 9.216450 0.000000       9.216450 
1 1 1 -14 18 12 o 334.6485 14.56107 3316.969       285.0966 0.000000       0.000000 3316.969       285.0966 ?        ?        334.6485 14.56107 0.000000       14.56107 
1 1 1 -14 18 13 o 282.7093 9.473761 2354.845       156.8553 0.000000       0.000000 2354.845       156.8553 ?        ?        282.7093 9.473761 0.000000       9.473761 
1 1 1 -14 18 14 o 314.7599 9.438175 2918.828       174.0312 0.000000       0.000000 2918.828       174.0312 ?        ?        314.7599 9.438175 0.000000       9.438175 
1 1 1 -14 18 15 o 209.3068 7.735416 1289.877       94.79159 0.000000       0.000000 1289.877       94.79159 ?        ?        209.3068 7.735416 0.000000       7.735416 
1 1 1 -14 18 16 o 340.3469 15.01272 3439.698       298.9248 0.000000       0.000000 3439.698       298.9248 ?        ?        340.3469 15.01272 0.000000       15.01272 
1 1 1 -14 18 17 o 436.9033 8.324974 5616.605       213.3137 5118.170       574.0501 5696.456       229.7660 411.3889 23.89572 439.8897 8.906179 -28.50082      25.50148 
1 1 1 -14 18 18 o 325.7753 7.470800 3121.003       142.7367 3827.205       491.9959 3056.101       149.1516 355.4633 23.73624 322.3173 7.890306 33.14603       25.01332 
1 1 1 -14 18 19 o 456.0960 8.414152 6122.421       225.0698 5599.751       565.4197 6220.832       245.3450 430.8624 22.45345 459.6040 9.102128 -28.74161      24.22821 
1 1 1 -14 18 20 o 320.1942 7.720974 3015.719       144.9894 2808.359       463.0703 3038.257       152.6656 303.0480 26.31524 321.2361 8.109865 -18.18808      27.53656 
1 1 1 -14 18 21 o 132.6545 12.03597 524.0499       92.62020 181.9274       452.9364 538.9803       94.61961 107.5209 44.35629 134.5313 12.12232 -27.01043      45.98294 
1 1 1 -14 18 22 o 38.17266 17.47959 -59.78114      88.13586 -753.2250      459.8920 -33.34148      89.80036 70.50771 34.36488 41.24399 18.37218 29.26372       38.96770 
1 1 1 -14 18 23 o 147.2805 14.55341 649.1898       124.0659 1962.471       544.5222 577.2809       127.4173 246.7869 38.90951 138.5027 15.97885 108.2842       42.06274 
1 1 1 -14 18 24 o 517.5252 9.235609 7890.688       280.3158 7017.335       714.0689 8049.795       304.7819 480.1134 25.45072 522.5222 9.945668 -42.40878      27.32500 
1 1 1 -14 18 25 o 226.9429 8.971763 1519.820       119.1758 0.000000       0.000000 1519.820       119.1758 ?        ?        226.9429 8.971763 0.000000       8.971763 
1 1 1 -14 18 26 o 94.46519 18.03280 275.5675       96.26148 59.72342       450.5807 285.8901       98.53642 99.06717 42.69954 96.23989 18.12261 2.827278       46.38620 
1 1 1 -14 18 27 o 190.0600 9.951780 1069.634       110.5417 835.3765       472.4689 1083.200       113.6974 154.5590 47.51941 191.2228 10.17482 -36.66382      48.59652 
1 1 1 -14 18 28 o 188.6324 9.995473 1054.535       110.1836 786.2503       470.1580 1070.126       113.3400 149.1761 47.62985 189.9823 10.20982 -40.80615      48.71184 
1 1 1 -14 18 29 o 150.8040 11.75051 678.6910       103.1053 1627.828       482.5388 633.2841       105.5428 219.7057 38.87097 145.4743 12.49144 74.23137       40.82877 
1 1 1 -14 18 30 o 149.7556 11.48233 669.3354       100.0779 1105.889       410.3845 641.7322       103.1934 178.7392 40.13409 146.4699 12.12148 32.26930       41.92464 
1 1 1 -14 18 31 o 72.86728 21.03733 166.7213       94.89568 -174.0146      414.3309 185.5846       97.48703 81.66351 37.58001 76.59437 21.05307 5.069138       43.07538 
1 1 1 -14 18 32 o 549.2038 10.32517 8953.930       332.5685 0.000000       0.000000 8953.930       332.5685 ?        ?        549.2038 10.32517 0.000000       10.32517 
1 1 1 -14 18 33 f 52.80805 19.99911 66.05389       85.03255 -219.3866      387.2641 80.51266       87.15958 75.13457 35.16879 55.59557 20.40441 19.53900       40.65936 
1 1 1 -14 18 34 o 126.8424 12.38142 487.7752       90.93418 831.7311       419.9065 470.8509       93.14453 142.5858 44.95108 124.4107 12.95539 18.17514       46.78078 
1 1 1 -14 18 35 o 100.3446 14.95440 313.3590       85.32250 513.2680       399.3262 303.7960       87.33945 113.5683 43.26203 98.51567 15.63854 15.05262       46.00182 
1 1 1 -14 18 36 o 34.63729 16.13547 -64.52537      79.94373 -1044.117      409.6928 -25.74995      81.51059 54.32594 27.40300 38.85576 17.39237 15.47018       32.45642 
1 1 1 -14 18 37 o 107.9223 14.39758 362.7037       88.85657 196.0351       392.0988 371.7264       91.23003 89.47654 39.18245 109.1824 14.61403 -19.70589      41.81907 
1 1 1 -14 18 38 o 95.85976 17.23133 296.3167       93.31274 841.7430       386.2672 262.5136       96.16084 135.1956 43.17255 89.29779 18.94876 45.89778       47.14790 
1 1 1 -14 18 39 o 141.2449 12.21878 612.9576       100.2220 858.1437       382.8603 594.9203       103.8431 134.1998 42.99507 138.7754 12.90689 -4.575607      44.89057 
1 1 1 -14 18 40 o 145.5551 12.47142 653.9172       105.4368 544.2999       381.1369 663.0013       109.7187 105.6339 41.69658 146.3055 12.91964 -40.67158      43.65228 
1 1 1 -14 18 41 o 37.86834 17.71900 -73.19447      98.15786 1052.814       403.3925 -144.0613      101.1996 143.7372 43.85498 33.85704 16.41361 109.8802       46.82591 
1 1 1 -14 18 42 o 34.85396 16.69291 -110.9896      97.36802 -562.4016      394.1256 -81.64780      100.4827 58.23162 29.00525 37.60373 17.69999 20.62789       33.97932 
1 1 1 -14 18 43 o 37.45222 17.76934 -96.87513      105.0908 -426.6730      396.0119 -71.89037      108.9988 60.87485 30.10413 40.05753 18.72001 20.81731       35.44992 
1 1 1 -14 18 44 o 34.59017 16.90643 -175.3786      113.5765 -227.2347      364.5842 -169.8052      119.5242 62.92949 30.65487 36.09560 17.57628 26.83389       35.33620 
1 1 1 -14 18 45 o 46.12300 20.90581 -22.13094      122.0580 -186.9362      323.1042 5.303092       131.8262 60.75843 29.42501 50.00942 22.26937 10.74901       36.90198 
1 1 1 -14 19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 19 3  o 712.7320 17.08753 15034.36       714.2596 14531.61       979.8379 15604.45       1043.386 697.2146 23.99856 722.1310 24.67270 -24.91638      34.41908 
1 1 1 -14 19 4  o 569.3194 14.14160 9566.012       472.1774 9292.566       648.2714 9875.001       689.1182 559.0646 19.80299 576.0875 20.42880 -17.02289      28.45161 
1 1 1 -14 19 5  o 539.9310 13.60975 8606.333       430.6184 8322.844       588.8049 8932.317       631.3963 529.2752 18.99961 548.0792 19.67494 -18.80402      27.35120 
1 1 1 -14 19 6  o 278.0240 9.130071 2275.503       148.6680 2516.219       216.4592 2060.560       204.5432 291.8635 12.67601 263.9697 13.25478 27.89380       18.34040 
1 1 1 -14 19 7  o 213.8556 12.92493 1353.768       161.3494 0.000000       0.000000 1353.768       161.3494 ?        ?        213.8556 12.92493 0.000000       12.92493 
1 1 1 -14 19 8  f 82.46915 13.98550 206.2977       65.22829 0.000000       0.000000 206.2977       65.22829 ?        ?        82.46915 13.98550 0.000000       13.98550 
1 1 1 -14 19 9  o 92.24223 12.77153 255.7099       67.23977 0.000000       0.000000 255.7099       67.23977 ?        ?        92.24223 12.77153 0.000000       12.77153 
1 1 1 -14 19 10 o 344.9940 7.875479 3498.552       159.3452 0.000000       0.000000 3498.552       159.3452 ?        ?        344.9940 7.875479 0.000000       7.875479 
1 1 1 -14 19 11 o 211.8175 9.419174 1322.966       116.7180 0.000000       0.000000 1322.966       116.7180 ?        ?        211.8175 9.419174 0.000000       9.419174 
1 1 1 -14 19 12 o 348.7605 21.77289 3651.206       443.1206 0.000000       0.000000 3651.206       443.1206 ?        ?        348.7605 21.77289 0.000000       21.77289 
1 1 1 -14 19 13 o 147.5601 38.05133 704.1451       331.4258 0.000000       0.000000 704.1451       331.4258 ?        ?        147.5601 38.05133 0.000000       38.05133 
1 1 1 -14 19 14 o 196.6275 27.47617 1193.586       308.2088 0.000000       0.000000 1193.586       308.2088 ?        ?        196.6275 27.47617 0.000000       27.47617 
1 1 1 -14 19 15 o 128.8274 36.08286 533.2486       283.4187 0.000000       0.000000 533.2486       283.4187 ?        ?        128.8274 36.08286 0.000000       36.08286 
1 1 1 -14 19 16 o 210.9060 8.274137 1310.804       102.1454 0.000000       0.000000 1310.804       102.1454 ?        ?        210.9060 8.274137 0.000000       8.274137 
1 1 1 -14 19 17 o 122.6788 11.86933 448.5690       84.33221 0.000000       0.000000 448.5690       84.33221 ?        ?        122.6788 11.86933 0.000000       11.86933 
1 1 1 -14 19 18 o 189.6071 9.106815 1061.157       100.9718 0.000000       0.000000 1061.157       100.9718 ?        ?        189.6071 9.106815 0.000000       9.106815 
1 1 1 -14 19 19 o 324.9949 7.662148 3106.655       146.0420 3253.635       501.2150 3093.019       152.6664 326.3010 26.41689 324.2327 8.028528 2.068298       27.60995 
1 1 1 -14 19 20 o 157.4925 10.30836 734.4047       94.69054 922.2754       434.1189 725.0198       97.02679 166.2355 43.88927 156.4296 10.63934 9.805954       45.16042 
1 1 1 -14 19 21 o 44.13076 19.11531 -10.57270      91.18720 470.8535       496.1612 -27.40233      92.76736 129.4350 48.46206 42.64971 18.85288 86.78529       52.00002 
1 1 1 -14 19 22 o 237.8051 8.999193 1667.710       125.2827 2368.844       586.4954 1634.188       128.2427 272.2227 37.75048 235.3528 9.309371 36.86989       38.88140 
1 1 1 -14 19 23 o 185.5511 10.17330 1018.319       110.2837 985.6243       532.2838 1019.786       112.7298 169.4253 50.08217 185.6501 10.39516 -16.22481      51.14962 
1 1 1 -14 19 24 o 245.2537 12.81089 1785.585       183.6272 1332.975       514.6804 1851.602       196.5633 198.3231 45.25254 249.5972 13.47802 -51.27414      47.21704 
1 1 1 -14 19 25 o 72.03618 29.46110 72.13220       197.5953 254.0709       522.5392 41.77538       213.4443 115.4663 47.63923 71.54843 30.05455 43.91791       56.32737 
1 1 1 -14 19 26 o 202.3873 9.603376 1211.588       113.6625 1322.101       502.6000 1205.631       116.6855 195.8794 44.73518 201.8358 9.887622 -5.956360      45.81486 
1 1 1 -14 19 27 o 181.6888 12.14436 983.3671       128.6626 627.4465       491.0688 1009.601       133.3200 136.6603 48.66385 184.0402 12.42467 -47.37990      50.22492 
1 1 1 -14 19 28 o 256.4286 10.38946 1948.870       155.9228 1959.389       485.0128 1947.657       164.6639 244.6268 34.78570 256.1889 10.98494 -11.56213      36.47895 
1 1 1 -14 19 29 o 274.6287 8.448125 2227.936       135.9064 1187.927       512.7986 2306.505       140.9466 180.1660 47.76366 279.3938 8.612045 -99.22778      48.53385 
1 1 1 -14 19 30 o 125.9990 14.11327 480.2253       102.5007 1601.668       494.2367 429.8226       104.7788 214.6368 40.75272 118.7671 15.40535 95.86964       43.56730 
1 1 1 -14 19 31 o 241.2598 8.884212 1724.137       125.4908 1768.082       529.4611 1721.521       129.1715 222.6017 42.09773 241.0016 9.155600 -18.39983      43.08183 
1 1 1 -14 19 32 o 199.2129 9.101960 1178.648       106.0605 1038.102       436.5263 1187.465       109.3368 165.0924 44.20611 199.8878 9.352666 -34.79539      45.18465 
1 1 1 -14 19 33 o 30.29589 14.70470 -132.8435      81.85818 -52.22602      416.2971 -136.0859      83.48812 83.72021 38.20419 30.54780 14.83241 53.17241       40.98244 
1 1 1 -14 19 34 o 202.0230 8.756230 1215.478       103.4990 1141.570       382.8276 1221.306       107.5023 173.4113 38.63208 202.3910 9.079944 -28.97971      39.68480 
1 1 1 -14 19 35 o 189.8508 9.141664 1076.944       101.4869 739.9733       418.5385 1097.994       104.6088 129.7823 45.02908 191.6250 9.336292 -61.84271      45.98679 
1 1 1 -14 19 36 o 130.5989 12.35238 520.7945       93.48652 800.2177       439.1846 507.5326       95.67931 131.3366 46.08926 128.7057 12.84708 2.630814       47.84629 
1 1 1 -14 19 37 o 137.6379 14.83358 590.3545       117.8501 152.8977       424.4248 626.9005       122.6741 87.72132 39.44252 141.7931 14.97797 -54.07180      42.19066 
1 1 1 -14 19 38 o 71.02166 23.86705 169.3885       117.4011 101.8251       419.4595 175.1311       122.2886 83.31398 38.14369 72.05714 24.35909 11.25684       45.25822 
1 1 1 -14 19 39 o 65.40198 21.10363 142.2109       92.12595 235.3769       438.1226 137.9010       94.23277 88.62927 39.94294 64.64475 21.37471 23.98452       45.30250 
1 1 1 -14 19 40 o 106.7207 16.26580 367.3831       98.59239 50.45407       417.3202 386.1180       101.4646 78.56284 36.68661 109.4271 16.30755 -30.86429      40.14777 
1 1 1 -14 19 41 o 90.77480 19.54646 279.9785       100.9802 812.5917       406.3143 244.9155       104.2511 120.7915 44.09959 83.81502 21.19781 36.97653       48.92976 
1 1 1 -14 19 42 o 128.7661 15.15024 531.0190       112.2252 928.2664       406.9422 498.3204       116.7526 127.8477 44.39850 123.7610 16.49583 4.086716       47.36390 
1 1 1 -14 19 43 o 73.05484 22.84880 192.6900       108.7052 -134.3306      388.6188 220.4495       113.2250 67.59405 32.62182 77.75138 23.12752 -10.15733      39.98832 
1 1 1 -14 19 44 o 82.05196 23.76034 250.2593       120.8837 181.2484       331.5983 260.8361       129.8171 76.56123 34.60402 83.06048 24.77816 -6.499245      42.56049 
1 1 1 -14 19 45 o 100.6601 22.87151 370.4611       131.9419 -11.47374      315.2081 451.5982       145.2822 66.09104 31.18255 111.3547 23.00754 -45.26364      38.75175 
1 1 1 -14 20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 20 2  o 472.0955 12.32414 6575.134       340.9301 6547.899       471.9771 6604.850       493.0060 469.7914 17.15915 471.6060 17.85696 -1.814697      24.76505 
1 1 1 -14 20 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 20 4  o 384.0956 10.88835 4348.196       245.0267 0.000000       0.000000 4348.196       245.0267 ?        ?        384.0956 10.88835 0.000000       10.88835 
1 1 1 -14 20 5  o 104.9586 11.33149 328.2894       68.64742 0.000000       0.000000 328.2894       68.64742 ?        ?        104.9586 11.33149 0.000000       11.33149 
1 1 1 -14 20 6  o 182.3394 8.423539 979.6230       89.83602 0.000000       0.000000 979.6230       89.83602 ?        ?        182.3394 8.423539 0.000000       8.423539 
1 1 1 -14 20 7  o 92.81095 12.81711 258.9092       67.90495 0.000000       0.000000 258.9092       67.90495 ?        ?        92.81095 12.81711 0.000000       12.81711 
1 1 1 -14 20 8  o 396.8161 8.433358 4630.497       196.2639 0.000000       0.000000 4630.497       196.2639 ?        ?        396.8161 8.433358 0.000000       8.433358 
1 1 1 -14 20 9  o 365.8804 7.977589 3935.799       171.1833 0.000000       0.000000 3935.799       171.1833 ?        ?        365.8804 7.977589 0.000000       7.977589 
1 1 1 -14 20 10 o 442.4028 8.878304 5758.498       230.3554 0.000000       0.000000 5758.498       230.3554 ?        ?        442.4028 8.878304 0.000000       8.878304 
1 1 1 -14 20 11 o 477.7668 13.62540 6754.019       381.3923 0.000000       0.000000 6754.019       381.3923 ?        ?        477.7668 13.62540 0.000000       13.62540 
1 1 1 -14 20 12 o 44.48583 18.95202 0.8965341      86.87736 0.000000       0.000000 0.8965341      86.87736 ?        ?        44.48583 18.95202 0.000000       18.95202 
1 1 1 -14 20 13 o 244.6218 26.32196 1831.565       371.6923 0.000000       0.000000 1831.565       371.6923 ?        ?        244.6218 26.32196 0.000000       26.32196 
1 1 1 -14 20 14 o 93.41859 19.46370 269.9789       103.1721 0.000000       0.000000 269.9789       103.1721 ?        ?        93.41859 19.46370 0.000000       19.46370 
1 1 1 -14 20 15 o 443.6637 9.014467 5795.832       234.5549 0.000000       0.000000 5795.832       234.5549 ?        ?        443.6637 9.014467 0.000000       9.014467 
1 1 1 -14 20 16 o 219.8392 8.307860 1424.232       106.9209 0.000000       0.000000 1424.232       106.9209 ?        ?        219.8392 8.307860 0.000000       8.307860 
1 1 1 -14 20 17 o 142.4433 10.91154 602.0909       90.46062 0.000000       0.000000 602.0909       90.46062 ?        ?        142.4433 10.91154 0.000000       10.91154 
1 1 1 -14 20 18 o 178.3244 9.790795 939.8821       102.0022 0.000000       0.000000 939.8821       102.0022 ?        ?        178.3244 9.790795 0.000000       9.790795 
1 1 1 -14 20 19 o 384.2595 8.724599 4346.762       196.6168 0.000000       0.000000 4346.762       196.6168 ?        ?        384.2595 8.724599 0.000000       8.724599 
1 1 1 -14 20 20 o 125.0914 14.38705 469.6321       103.6283 -134.5508      537.5210 492.9551       105.6095 99.19215 44.51112 128.2180 14.28682 -29.02589      46.74776 
1 1 1 -14 20 21 o 240.8899 8.877525 1710.960       125.2038 1756.927       544.3391 1708.392       128.6532 231.7970 41.56873 240.6707 9.131360 -8.873703      42.55986 
1 1 1 -14 20 22 o 151.9846 11.61669 686.2755       102.7612 0.000000       0.000000 686.2755       102.7612 ?        ?        151.9846 11.61669 0.000000       11.61669 
1 1 1 -14 20 23 o 240.4536 8.579616 1704.963       120.7961 1947.222       522.3372 1691.274       124.1619 245.6122 37.44441 239.4412 8.857030 6.171036       38.47766 
1 1 1 -14 20 24 f 198.4516 9.482060 1164.094       110.0398 653.5269       523.4784 1187.698       112.5546 141.5982 50.26235 200.4377 9.602815 -58.83958      51.17146 
1 1 1 -14 20 25 o 120.5193 29.60161 468.7049       207.6853 134.3806       537.1317 527.4734       225.2005 109.3576 46.86979 127.6590 30.49801 -18.30145      55.91874 
1 1 1 -14 20 26 o 262.9619 9.693635 2045.215       149.2403 1534.085       562.2847 2083.951       154.7922 208.4179 47.11232 265.3800 9.963277 -56.96208      48.15430 
1 1 1 -14 20 27 o 187.9546 9.960969 1047.365       109.4086 1655.356       522.1945 1019.451       111.8921 219.5238 42.09132 185.3484 10.33434 34.17537       43.34141 
1 1 1 -14 20 28 o 286.8083 8.358309 2429.208       140.4421 1939.718       524.8541 2466.959       145.7571 239.8717 38.61953 288.9682 8.610212 -49.09651      39.56771 
1 1 1 -14 20 29 o 267.1372 9.922428 2115.372       155.1842 3357.577       535.2324 2001.363       162.1493 325.0153 28.36328 259.6088 10.67264 65.40652       30.30480 
1 1 1 -14 20 30 o 254.7988 9.055094 1923.106       135.0983 0.000000       0.000000 1923.106       135.0983 ?        ?        254.7988 9.055094 0.000000       9.055094 
1 1 1 -14 20 31 o 36.05362 16.91648 -87.05478      90.51747 -223.2114      487.4553 -82.19212      92.11964 85.05894 39.69688 36.86858 17.22312 48.19037       43.27214 
1 1 1 -14 20 32 o 53.47231 20.38629 67.20909       88.71930 298.3514       445.9841 57.68525       90.52862 104.0184 43.55227 52.27010 20.41427 51.74834       48.09930 
1 1 1 -14 20 33 o 49.61956 19.56753 49.82552       83.86488 -59.98318      388.5150 55.19218       85.88979 79.94527 36.64191 50.82523 19.87436 29.12004       41.68476 
1 1 1 -14 20 34 o 155.8142 10.29786 729.5072       93.57562 455.5555       425.3768 743.4385       95.92545 108.7807 43.68202 157.2408 10.46153 -48.46008      44.91729 
1 1 1 -14 20 35 o 61.17310 20.45239 116.3699       86.22234 -1.783189      392.1760 122.3712       88.38492 80.55926 36.88243 62.45547 20.70272 18.10379       42.29559 
1 1 1 -14 20 36 o 108.1007 15.39386 367.3199       94.84016 -191.8630      457.4713 392.4324       96.94637 77.03365 36.69819 111.8990 15.16228 -34.86535      39.70708 
1 1 1 -14 20 37 o 129.3164 16.46551 531.1340       122.0480 -13.11561      461.9176 571.9810       126.5451 81.63456 38.27485 134.2884 16.40819 -52.65388      41.64364 
1 1 1 -14 20 38 o 63.42385 23.71614 121.0169       118.7464 -586.8542      459.3540 171.7086       122.9247 64.89601 32.15161 71.31104 24.41720 -6.415031      40.37233 
1 1 1 -14 20 39 o 72.16280 21.35982 178.6231       96.76886 -411.5781      454.7473 206.6166       99.03716 67.59438 33.20045 77.47368 21.18980 -9.879295      39.38626 
1 1 1 -14 20 40 f 120.8915 15.49377 467.5650       107.3288 323.6625       415.7204 477.8417       111.0952 89.46603 39.70995 121.9606 15.91091 -32.49455      42.77894 
1 1 1 -14 20 41 o 79.40621 22.37575 224.8981       108.6433 -120.6662      402.6759 252.0279       112.8274 69.97104 33.62572 84.01436 22.46441 -14.04332      40.43933 
1 1 1 -14 20 42 o 96.67715 21.27253 327.6679       117.3330 -115.0770      428.5106 363.5533       121.9954 70.88828 34.22243 102.1418 21.06505 -31.25356      40.18596 
1 1 1 -14 20 43 o 129.5068 16.35769 548.4141       121.4746 521.3527       341.9808 552.3216       129.9489 98.21851 39.25986 128.9267 17.64896 -30.70820      43.04443 
1 1 1 -14 20 44 o 58.76522 23.49489 99.31122       122.5039 158.1514       321.5855 89.32336       132.4938 74.72890 33.89639 58.46395 24.04111 16.26495       41.55647 
1 1 1 -14 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 21 2  o 333.6111 15.10964 3299.442       294.8603 0.000000       0.000000 3299.442       294.8603 ?        ?        333.6111 15.10964 0.000000       15.10964 
1 1 1 -14 21 3  o 356.0391 8.572503 3728.033       179.0012 0.000000       0.000000 3728.033       179.0012 ?        ?        356.0391 8.572503 0.000000       8.572503 
1 1 1 -14 21 4  o 199.6223 15.00119 1185.521       174.3398 0.000000       0.000000 1185.521       174.3398 ?        ?        199.6223 15.00119 0.000000       15.00119 
1 1 1 -14 21 5  o 212.8682 7.857298 1333.889       97.92391 0.000000       0.000000 1333.889       97.92391 ?        ?        212.8682 7.857298 0.000000       7.857298 
1 1 1 -14 21 6  o 141.3842 9.278505 590.7655       76.51080 0.000000       0.000000 590.7655       76.51080 ?        ?        141.3842 9.278505 0.000000       9.278505 
1 1 1 -14 21 7  o 200.9996 7.791451 1189.538       91.67284 0.000000       0.000000 1189.538       91.67284 ?        ?        200.9996 7.791451 0.000000       7.791451 
1 1 1 -14 21 8  o 118.7151 10.59711 418.5580       73.00595 0.000000       0.000000 418.5580       73.00595 ?        ?        118.7151 10.59711 0.000000       10.59711 
1 1 1 -14 21 9  o 233.2684 7.683458 1601.628       104.9712 0.000000       0.000000 1601.628       104.9712 ?        ?        233.2684 7.683458 0.000000       7.683458 
1 1 1 -14 21 10 o 117.7335 11.61455 412.9228       79.15260 0.000000       0.000000 412.9228       79.15260 ?        ?        117.7335 11.61455 0.000000       11.61455 
1 1 1 -14 21 11 o 191.3515 8.233375 1079.175       92.18133 0.000000       0.000000 1079.175       92.18133 ?        ?        191.3515 8.233375 0.000000       8.233375 
1 1 1 -14 21 12 o 199.6814 10.13301 1178.085       118.2782 0.000000       0.000000 1178.085       118.2782 ?        ?        199.6814 10.13301 0.000000       10.13301 
1 1 1 -14 21 13 o 188.9335 31.76016 1124.933       339.4461 0.000000       0.000000 1124.933       339.4461 ?        ?        188.9335 31.76016 0.000000       31.76016 
1 1 1 -14 21 14 o 252.5338 7.877098 1877.817       116.5212 0.000000       0.000000 1877.817       116.5212 ?        ?        252.5338 7.877098 0.000000       7.877098 
1 1 1 -14 21 15 o 404.7097 12.42161 4845.649       294.4812 0.000000       0.000000 4845.649       294.4812 ?        ?        404.7097 12.42161 0.000000       12.42161 
1 1 1 -14 21 16 o 155.7351 11.25826 719.5043       102.1331 0.000000       0.000000 719.5043       102.1331 ?        ?        155.7351 11.25826 0.000000       11.25826 
1 1 1 -14 21 17 o 277.7445 12.18081 2283.634       197.9315 0.000000       0.000000 2283.634       197.9315 ?        ?        277.7445 12.18081 0.000000       12.18081 
1 1 1 -14 21 18 o 226.9616 9.111690 1519.352       121.0370 0.000000       0.000000 1519.352       121.0370 ?        ?        226.9616 9.111690 0.000000       9.111690 
1 1 1 -14 21 19 o 245.3293 9.154755 1774.939       131.4874 0.000000       0.000000 1774.939       131.4874 ?        ?        245.3293 9.154755 0.000000       9.154755 
1 1 1 -14 21 20 o 79.19617 21.55387 194.6301       102.7654 0.000000       0.000000 194.6301       102.7654 ?        ?        79.19617 21.55387 0.000000       21.55387 
1 1 1 -14 21 21 o 87.15669 20.43208 236.7562       102.6121 -936.1769      521.3781 284.0193       104.6591 72.65064 35.65678 95.79759 19.29616 -23.14695      40.54316 
1 1 1 -14 21 22 o 60.70349 21.47354 97.95992       95.47758 40.51910       516.2796 99.99400       97.15338 104.2747 45.32305 61.27362 21.66247 43.00109       50.23387 
1 1 1 -14 21 23 o 178.4616 10.66622 944.0245       111.1271 698.4140       487.6904 957.4756       114.1295 144.3635 48.64532 179.6942 10.88061 -35.33066      49.84731 
1 1 1 -14 21 24 o 136.9380 13.36592 561.8544       105.9780 -436.0111      508.1269 607.2355       108.3611 83.68059 39.51476 142.4632 13.11655 -58.78256      41.63485 
1 1 1 -14 21 25 o 153.6951 11.57527 703.7189       103.5710 645.2679       549.0186 705.8758       105.4646 139.1715 51.18833 153.8900 11.77489 -14.71846      52.52517 
1 1 1 -14 21 26 o 67.16430 28.52403 27.13609       195.7311 364.7408       491.5326 -36.48550      213.3784 117.6991 47.06069 64.88764 28.64181 52.81145       55.09140 
1 1 1 -14 21 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 21 28 o 183.5825 10.64998 1002.245       114.1726 -155.3957      531.3398 1058.282       116.9034 93.54974 42.86749 188.6713 10.60775 -95.12160      44.16046 
1 1 1 -14 21 29 o 273.4431 8.769650 2212.823       140.4552 2789.537       575.2498 2176.262       144.8389 289.2054 34.60151 271.0703 9.123724 18.13504       35.78417 
1 1 1 -14 21 30 o 75.66965 21.62994 182.2619       100.7943 0.000000       0.000000 182.2619       100.7943 ?        ?        75.66965 21.62994 0.000000       21.62994 
1 1 1 -14 21 31 o 149.8898 11.75096 675.7731       102.4737 816.2981       439.2010 667.6829       105.3822 142.7995 46.07850 148.8472 12.17829 -6.047668      47.66066 
1 1 1 -14 21 32 o 29.14055 14.30725 -162.7476      84.17950 -726.5021      447.5958 -142.0762      85.70892 65.04616 32.13716 30.74098 14.94962 34.30518       35.44415 
1 1 1 -14 21 33 o 119.6578 13.41972 438.9614       92.55405 133.6641       421.9479 454.3930       94.86434 90.36945 40.06422 121.7285 13.51557 -31.35900      42.28253 
1 1 1 -14 21 34 o 30.89565 15.05378 -147.5640      88.06608 -88.15675      423.0177 -150.2554      90.03889 79.50176 37.06239 31.25699 15.22798 48.24477       40.06884 
1 1 1 -14 21 35 f 132.3355 12.81674 536.8149       98.22900 167.1323       468.2508 553.8325       100.4644 91.48798 41.25679 134.3941 12.90463 -42.90611      43.22791 
1 1 1 -14 21 36 o 153.5472 11.77779 718.9506       105.2514 698.7402       464.9222 720.0423       108.0568 118.2522 46.23975 153.5023 12.10071 -35.25005      47.79688 
1 1 1 -14 21 37 o 60.83548 21.49328 115.2700       95.62897 -201.1065      433.5557 131.4490       98.04366 72.91266 35.00079 63.80885 21.80763 9.103806       41.23867 
1 1 1 -14 21 38 o 75.22649 21.21509 194.0720       97.62391 -274.6082      471.3492 215.0780       99.78767 72.34601 35.15403 79.17228 21.10696 -6.826271      41.00378 
1 1 1 -14 21 39 o 58.96452 22.18667 103.1859       104.2675 35.03039       459.8856 106.8792       107.0553 79.55710 37.57505 59.76692 22.48289 19.79018       43.78772 
1 1 1 -14 21 40 o 87.21960 21.53746 266.7259       109.5042 427.9506       427.7488 255.4188       113.2790 93.68481 40.97757 84.76937 22.43793 8.915443       46.71854 
1 1 1 -14 21 41 o 91.95248 21.36710 296.8940       113.0270 167.3130       423.1015 306.8519       117.2896 80.57540 37.39392 93.18351 21.84426 -12.60811      43.30678 
1 1 1 -14 21 42 o 77.49339 23.74100 221.2089       118.0623 83.17089       365.3043 237.3088       124.7575 73.90390 34.44899 79.80228 24.39660 -5.898384      42.21287 
1 1 1 -14 21 43 o 128.6817 17.26643 548.4114       127.0221 -32.48477      326.7579 651.8198       137.8652 66.68177 31.54753 140.5804 17.07111 -73.89866      35.87018 
1 1 1 -14 22 1  f 462.4033 16.70755 6353.674       452.3448 6353.674       452.3448 0.000000       0.000000 462.4033 16.70755 ?        ?        0.000000       16.70755 
1 1 1 -14 22 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 22 3  o 330.1660 15.38238 3236.568       297.0374 0.000000       0.000000 3236.568       297.0374 ?        ?        330.1660 15.38238 0.000000       15.38238 
1 1 1 -14 22 4  o 254.6352 8.056083 1908.713       120.1562 0.000000       0.000000 1908.713       120.1562 ?        ?        254.6352 8.056083 0.000000       8.056083 
1 1 1 -14 22 5  o 198.8744 8.616376 1165.842       100.2588 0.000000       0.000000 1165.842       100.2588 ?        ?        198.8744 8.616376 0.000000       8.616376 
1 1 1 -14 22 6  o 229.7393 8.094137 1554.304       108.8873 0.000000       0.000000 1554.304       108.8873 ?        ?        229.7393 8.094137 0.000000       8.094137 
1 1 1 -14 22 7  o 40.93901 17.37084 2.553535       72.47996 0.000000       0.000000 2.553535       72.47996 ?        ?        40.93901 17.37084 0.000000       17.37084 
1 1 1 -14 22 8  f 338.5200 7.908464 3370.430       157.0099 0.000000       0.000000 3370.430       157.0099 ?        ?        338.5200 7.908464 0.000000       7.908464 
1 1 1 -14 22 9  o 254.4515 7.654967 1905.694       114.1050 0.000000       0.000000 1905.694       114.1050 ?        ?        254.4515 7.654967 0.000000       7.654967 
1 1 1 -14 22 10 o 80.83982 35.60120 -53.45385      327.8893 0.000000       0.000000 -53.45385      327.8893 ?        ?        80.83982 35.60120 0.000000       35.60120 
1 1 1 -14 22 11 o 128.0583 13.57363 490.6279       100.3919 0.000000       0.000000 490.6279       100.3919 ?        ?        128.0583 13.57363 0.000000       13.57363 
1 1 1 -14 22 12 o 260.5407 7.589049 1998.062       115.8378 0.000000       0.000000 1998.062       115.8378 ?        ?        260.5407 7.589049 0.000000       7.589049 
1 1 1 -14 22 13 o 311.1243 8.423592 2850.917       153.5614 0.000000       0.000000 2850.917       153.5614 ?        ?        311.1243 8.423592 0.000000       8.423592 
1 1 1 -14 22 14 o 306.6856 7.750845 2768.350       139.2980 0.000000       0.000000 2768.350       139.2980 ?        ?        306.6856 7.750845 0.000000       7.750845 
1 1 1 -14 22 15 o 298.5807 9.864536 2630.116       172.5013 0.000000       0.000000 2630.116       172.5013 ?        ?        298.5807 9.864536 0.000000       9.864536 
1 1 1 -14 22 16 o 528.5027 9.821944 8230.982       304.4355 0.000000       0.000000 8230.982       304.4355 ?        ?        528.5027 9.821944 0.000000       9.821944 
1 1 1 -14 22 17 o 297.2869 8.681735 2603.808       151.2054 0.000000       0.000000 2603.808       151.2054 ?        ?        297.2869 8.681735 0.000000       8.681735 
1 1 1 -14 22 18 o 192.4035 10.58089 1095.102       118.9352 0.000000       0.000000 1095.102       118.9352 ?        ?        192.4035 10.58089 0.000000       10.58089 
1 1 1 -14 22 19 o 490.1906 11.06556 7092.440       318.1183 0.000000       0.000000 7092.440       318.1183 ?        ?        490.1906 11.06556 0.000000       11.06556 
1 1 1 -14 22 20 o 181.7497 10.18826 977.3414       108.1638 0.000000       0.000000 977.3414       108.1638 ?        ?        181.7497 10.18826 0.000000       10.18826 
1 1 1 -14 22 21 o 149.8697 11.36539 667.5338       99.15140 0.000000       0.000000 667.5338       99.15140 ?        ?        149.8697 11.36539 0.000000       11.36539 
1 1 1 -14 22 22 o 256.4101 8.727725 1939.680       131.0549 0.000000       0.000000 1939.680       131.0549 ?        ?        256.4101 8.727725 0.000000       8.727725 
1 1 1 -14 22 23 o 205.5612 9.615266 1249.942       115.5974 2021.927       608.0422 1220.994       117.7448 243.7744 44.15528 203.1058 9.914780 40.66858       45.25474 
1 1 1 -14 22 24 o 156.8583 15.85554 742.6418       143.8605 478.4423       541.0808 762.7387       149.2318 127.8587 49.91615 158.8763 16.24431 -31.01760      52.49285 
1 1 1 -14 22 25 o 160.7484 15.04512 778.3691       140.1900 334.5922       516.2006 813.7066       145.6648 117.1308 47.72601 164.3157 15.29108 -47.18484      50.11576 
1 1 1 -14 22 26 o 197.0271 10.23871 1151.936       117.9041 1038.451       525.7517 1157.945       120.9856 167.2747 49.85610 197.4855 10.48351 -30.21078      50.94639 
1 1 1 -14 22 27 f 231.7264 9.783059 1591.716       132.6547 0.000000       0.000000 1591.716       132.6547 ?        ?        231.7264 9.783059 0.000000       9.783059 
1 1 1 -14 22 28 o 361.2643 8.506642 3856.508       180.2328 3934.724       632.0760 3849.586       188.0393 347.6622 31.33594 360.8145 8.886159 -13.15237      32.57153 
1 1 1 -14 22 29 o 60.07091 22.13065 93.37598       102.6898 451.7480       533.2399 79.57352       104.6487 119.7928 48.61971 58.21703 22.15392 61.57580       53.42913 
1 1 1 -14 22 30 o 187.2396 10.19851 1046.068       111.5687 1278.089       506.6239 1034.242       114.3766 178.7197 47.51907 186.0716 10.52399 -7.351883      48.67049 
1 1 1 -14 22 31 o 189.5991 9.721147 1073.142       107.7338 1164.775       453.2150 1067.654       110.9130 169.9443 44.83273 189.0004 10.04225 -19.05611      45.94367 
1 1 1 -14 22 32 o 130.7551 12.55689 520.3090       95.10992 -62.89744      448.8117 547.7311       97.32025 83.72343 38.73583 134.2023 12.50903 -50.47887      40.70553 
1 1 1 -14 22 33 o 104.4110 15.97368 342.6898       94.70919 -734.1352      455.4160 391.3657       96.82610 64.26838 31.87092 112.0786 15.11554 -47.81020      35.27372 
1 1 1 -14 22 34 o 159.3052 11.30605 768.5797       104.9446 450.2559       444.4946 787.3714       107.9978 105.9106 43.84021 161.1613 11.50186 -55.25066      45.32391 
1 1 1 -14 22 35 o 50.59068 20.25113 52.35082       91.12509 -39.50136      453.8457 56.20934       93.01939 81.26756 38.05007 51.46264 20.50714 29.80492       43.22442 
1 1 1 -14 22 36 o 90.92455 19.45628 274.9693       100.6158 308.9489       425.4712 272.9565       103.5529 93.22467 40.82003 90.26031 20.08024 2.964355       45.49165 
1 1 1 -14 22 37 o 174.1813 10.99910 923.6921       111.7856 269.4637       495.7344 958.7404       114.7408 91.53834 41.74050 177.4170 11.08272 -85.87868      43.18676 
1 1 1 -14 22 38 o 81.82952 22.11381 233.9421       108.6282 151.4347       509.7101 237.8678       111.1824 85.77787 40.21386 82.36120 22.42082 3.416672       46.04180 
1 1 1 -14 22 39 o 148.5703 17.37081 718.4205       148.5034 -140.3839      442.1625 827.6104       157.6615 72.43980 34.91956 159.8006 17.08767 -87.36078      38.87626 
1 1 1 -14 22 40 o 86.26785 21.76862 263.2013       110.1189 399.2154       405.7917 252.3889       114.4121 91.32622 39.92973 83.86425 22.70822 7.461967       45.93524 
1 1 1 -14 22 41 o 44.47686 20.23877 -31.73606      115.7808 -279.6705      422.6490 -11.62063      120.3860 65.84252 32.27191 47.02631 21.08658 18.81621       38.55022 
1 1 1 -14 22 42 o 71.81347 24.01846 188.7825       118.9094 65.49376       382.8309 201.9469       125.0968 73.50088 34.58175 73.78034 24.63465 -0.2794647     42.45897 
1 1 1 -14 22 43 o 62.69363 24.73171 124.8657       134.0136 384.7916       397.5395 91.54017       142.3457 86.85630 38.67506 59.49583 24.73412 27.36047       45.90792 
1 1 1 -14 23 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 23 2  o 339.1088 19.29577 3441.906       382.1693 3441.906       382.1693 0.000000       0.000000 339.1088 19.29577 ?        ?        0.000000       19.29577 
1 1 1 -14 23 3  o 364.3745 8.808532 3907.653       188.2357 0.000000       0.000000 3907.653       188.2357 ?        ?        364.3745 8.808532 0.000000       8.808532 
1 1 1 -14 23 4  o 203.3165 8.597260 1218.614       102.2826 0.000000       0.000000 1218.614       102.2826 ?        ?        203.3165 8.597260 0.000000       8.597260 
1 1 1 -14 23 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 23 6  o 294.4155 7.864363 2551.280       135.6706 0.000000       0.000000 2551.280       135.6706 ?        ?        294.4155 7.864363 0.000000       7.864363 
1 1 1 -14 23 7  o 244.0735 8.126681 1754.516       116.1658 0.000000       0.000000 1754.516       116.1658 ?        ?        244.0735 8.126681 0.000000       8.126681 
1 1 1 -14 23 8  o 72.95692 18.46597 164.8303       79.06870 0.000000       0.000000 164.8303       79.06870 ?        ?        72.95692 18.46597 0.000000       18.46597 
1 1 1 -14 23 9  o 350.0151 8.170632 3604.613       167.7231 0.000000       0.000000 3604.613       167.7231 ?        ?        350.0151 8.170632 0.000000       8.170632 
1 1 1 -14 23 10 o 39.37808 17.17371 -13.56297      74.65807 0.000000       0.000000 -13.56297      74.65807 ?        ?        39.37808 17.17371 0.000000       17.17371 
1 1 1 -14 23 11 o 141.7597 14.08396 600.9337       115.5453 0.000000       0.000000 600.9337       115.5453 ?        ?        141.7597 14.08396 0.000000       14.08396 
1 1 1 -14 23 12 o 219.8704 10.23954 1428.235       131.6750 0.000000       0.000000 1428.235       131.6750 ?        ?        219.8704 10.23954 0.000000       10.23954 
1 1 1 -14 23 13 o 138.7505 38.92665 627.2242       329.5642 0.000000       0.000000 627.2242       329.5642 ?        ?        138.7505 38.92665 0.000000       38.92665 
1 1 1 -14 23 14 o 155.5548 10.50248 716.7313       95.25159 0.000000       0.000000 716.7313       95.25159 ?        ?        155.5548 10.50248 0.000000       10.50248 
1 1 1 -14 23 15 f 269.4174 8.804718 2139.152       138.9338 0.000000       0.000000 2139.152       138.9338 ?        ?        269.4174 8.804718 0.000000       8.804718 
1 1 1 -14 23 16 o 345.3224 8.781639 3512.907       177.7045 0.000000       0.000000 3512.907       177.7045 ?        ?        345.3224 8.781639 0.000000       8.781639 
1 1 1 -14 23 17 o 296.5099 8.870570 2591.092       154.0822 0.000000       0.000000 2591.092       154.0822 ?        ?        296.5099 8.870570 0.000000       8.870570 
1 1 1 -14 23 18 o 135.3544 13.88115 548.4170       108.6321 0.000000       0.000000 548.4170       108.6321 ?        ?        135.3544 13.88115 0.000000       13.88115 
1 1 1 -14 23 19 o 206.6452 9.492374 1261.370       114.7332 0.000000       0.000000 1261.370       114.7332 ?        ?        206.6452 9.492374 0.000000       9.492374 
1 1 1 -14 23 20 o 298.1360 8.619797 2620.670       150.5587 0.000000       0.000000 2620.670       150.5587 ?        ?        298.1360 8.619797 0.000000       8.619797 
1 1 1 -14 23 21 f 68.12150 21.65829 138.5798       97.29828 0.000000       0.000000 138.5798       97.29828 ?        ?        68.12150 21.65829 0.000000       21.65829 
1 1 1 -14 23 22 o 321.8458 8.821230 3057.065       166.3481 0.000000       0.000000 3057.065       166.3481 ?        ?        321.8458 8.821230 0.000000       8.821230 
1 1 1 -14 23 23 o 173.4734 15.72904 906.5561       158.2867 0.000000       0.000000 906.5561       158.2867 ?        ?        173.4734 15.72904 0.000000       15.72904 
1 1 1 -14 23 24 o 180.1531 13.69349 972.0219       143.5955 286.8653       538.7208 1024.424       148.9856 115.5849 48.09035 184.9312 13.83705 -69.34633      50.04144 
1 1 1 -14 23 25 o 157.4505 25.20391 783.6815       224.8885 525.3917       546.9766 836.2257       246.7049 129.2513 50.26482 161.9683 26.91581 -32.71703      57.01765 
1 1 1 -14 23 26 o 69.87827 29.12789 58.38173       198.1706 41.99565       489.5210 61.59350       216.7234 98.47958 43.42948 72.60506 30.37711 25.87453       52.99895 
1 1 1 -14 23 27 o 202.3177 10.38873 1217.138       122.8543 1276.126       532.7834 1213.826       126.2568 183.2168 48.73762 201.9573 10.69785 -18.74054      49.89789 
1 1 1 -14 23 28 o 85.28882 25.64656 234.3872       138.6582 741.8107       512.7203 194.3480       144.0249 138.7355 49.68896 79.27047 26.43197 59.46500       56.28181 
1 1 1 -14 23 29 o 138.4030 13.23354 580.2585       106.1102 490.1090       505.0998 584.4207       108.5321 118.5574 47.60257 138.8130 13.50185 -20.25562      49.48034 
1 1 1 -14 23 30 o 140.0348 12.53740 593.9752       101.8777 443.2402       470.3212 601.3961       104.3553 112.1674 45.61088 140.8288 12.77373 -28.66136      47.36581 
1 1 1 -14 23 31 o 113.4055 14.47334 397.1217       94.07093 897.6105       453.5360 374.6219       96.16220 143.1781 46.87054 109.7575 15.35880 33.42055       49.32282 
1 1 1 -14 23 32 o 52.03077 20.47847 58.54012       91.69674 -139.3302      444.9584 67.31612       93.70816 79.61455 37.40306 53.68042 20.82475 25.93413       42.80957 
1 1 1 -14 23 33 o 233.5506 9.085395 1630.445       124.2070 965.3387       477.2686 1678.763       128.6396 141.8561 48.12147 236.8954 9.277009 -95.03934      49.00754 
1 1 1 -14 23 34 o 82.77836 20.00205 227.7168       96.01272 -995.3623      444.5791 287.5521       98.33324 57.51954 28.95411 93.95798 18.50372 -36.43845      34.36173 
1 1 1 -14 23 35 o 52.35167 20.87780 60.30169       96.48713 174.2222       406.6115 53.50415       99.32407 86.24663 38.70676 51.84279 21.00457 34.40384       44.03868 
1 1 1 -14 23 36 o 84.52879 20.65053 242.5717       101.4835 193.4362       483.6775 244.8344       103.7939 88.65281 40.72565 84.76163 20.99072 3.891182       45.81691 
1 1 1 -14 23 37 o 111.2725 17.43850 402.9477       110.0655 896.1840       490.1293 376.7533       112.9503 123.1923 47.67131 106.7492 18.72390 16.44308       51.21658 
1 1 1 -14 23 38 o 69.23923 23.88148 165.2509       117.6541 160.5927       503.0786 165.5204       121.0099 84.60700 39.75556 69.34610 24.20303 15.26090       46.54344 
1 1 1 -14 23 39 o 159.1010 13.25932 792.1484       122.5977 369.7713       491.3064 820.1951       126.6027 90.28205 41.31413 161.7491 13.46808 -71.46702      43.45396 
1 1 1 -14 23 40 o 50.31725 21.40002 36.49866       110.4437 23.21259       467.3014 37.28471       113.6639 76.79210 36.72236 50.88903 21.67875 25.90307       42.64388 
1 1 1 -14 23 41 o 106.6242 20.67779 396.0234       124.6363 836.2894       444.1848 358.3971       129.8530 112.6566 44.83873 99.63973 22.72616 13.01685       50.26918 
1 1 1 -14 23 42 o 62.05549 24.11651 122.5511       125.8460 337.2091       417.7247 101.1238       131.9777 85.13372 38.62241 59.83353 24.22313 25.30019       45.59003 
1 1 1 -14 24 1  o 534.4603 17.79039 8516.273       556.8596 8516.273       556.8596 0.000000       0.000000 534.4603 17.79039 ?        ?        0.000000       17.79039 
1 1 1 -14 24 2  o 368.5868 15.66551 4039.293       337.8652 0.000000       0.000000 4039.293       337.8652 ?        ?        368.5868 15.66551 0.000000       15.66551 
1 1 1 -14 24 3  o 278.8556 9.506622 2293.111       155.2461 1861.843       347.7591 2400.450       173.4933 247.2899 24.29163 285.1605 10.39130 -37.87054      26.42087 
1 1 1 -14 24 4  o 192.9594 9.051067 1098.670       102.1420 0.000000       0.000000 1098.670       102.1420 ?        ?        192.9594 9.051067 0.000000       9.051067 
1 1 1 -14 24 5  o 183.2481 9.591053 991.9006       102.7169 0.000000       0.000000 991.9006       102.7169 ?        ?        183.2481 9.591053 0.000000       9.591053 
1 1 1 -14 24 6  o 61.95409 20.01549 111.8743       82.85446 0.000000       0.000000 111.8743       82.85446 ?        ?        61.95409 20.01549 0.000000       20.01549 
1 1 1 -14 24 7  o 268.2180 28.80138 2219.961       445.9670 0.000000       0.000000 2219.961       445.9670 ?        ?        268.2180 28.80138 0.000000       28.80138 
1 1 1 -14 24 8  o 184.4333 9.601874 1004.815       103.5018 0.000000       0.000000 1004.815       103.5018 ?        ?        184.4333 9.601874 0.000000       9.601874 
1 1 1 -14 24 9  o 199.0862 38.16718 1281.406       429.4257 0.000000       0.000000 1281.406       429.4257 ?        ?        199.0862 38.16718 0.000000       38.16718 
1 1 1 -14 24 10 o 128.9176 12.77339 496.0766       95.30754 0.000000       0.000000 496.0766       95.30754 ?        ?        128.9176 12.77339 0.000000       12.77339 
1 1 1 -14 24 11 f 117.8974 41.52564 409.9194       356.7477 0.000000       0.000000 409.9194       356.7477 ?        ?        117.8974 41.52564 0.000000       41.52564 
1 1 1 -14 24 12 o 117.1184 17.69600 417.2960       117.7616 0.000000       0.000000 417.2960       117.7616 ?        ?        117.1184 17.69600 0.000000       17.69600 
1 1 1 -14 24 13 o 328.2520 10.74349 3181.472       206.5465 0.000000       0.000000 3181.472       206.5465 ?        ?        328.2520 10.74349 0.000000       10.74349 
1 1 1 -14 24 14 o 302.9407 10.87459 2710.869       192.8927 0.000000       0.000000 2710.869       192.8927 ?        ?        302.9407 10.87459 0.000000       10.87459 
1 1 1 -14 24 15 o 487.4964 9.779777 7003.869       279.6088 0.000000       0.000000 7003.869       279.6088 ?        ?        487.4964 9.779777 0.000000       9.779777 
1 1 1 -14 24 16 o 233.1095 9.836610 1604.615       134.1772 0.000000       0.000000 1604.615       134.1772 ?        ?        233.1095 9.836610 0.000000       9.836610 
1 1 1 -14 24 17 o 114.2169 15.51611 394.5443       101.2503 0.000000       0.000000 394.5443       101.2503 ?        ?        114.2169 15.51611 0.000000       15.51611 
1 1 1 -14 24 18 o 342.2252 8.616027 3451.948       172.7922 0.000000       0.000000 3451.948       172.7922 ?        ?        342.2252 8.616027 0.000000       8.616027 
1 1 1 -14 24 19 o 330.4229 9.007958 3220.555       174.3981 0.000000       0.000000 3220.555       174.3981 ?        ?        330.4229 9.007958 0.000000       9.007958 
1 1 1 -14 24 20 o 79.93362 21.16854 199.9923       100.7923 0.000000       0.000000 199.9923       100.7923 ?        ?        79.93362 21.16854 0.000000       21.16854 
1 1 1 -14 24 21 o 114.3158 16.49248 398.5416       107.3776 0.000000       0.000000 398.5416       107.3776 ?        ?        114.3158 16.49248 0.000000       16.49248 
1 1 1 -14 24 22 o 188.6669 10.62416 1056.492       117.0800 0.000000       0.000000 1056.492       117.0800 ?        ?        188.6669 10.62416 0.000000       10.62416 
1 1 1 -14 24 23 o 160.2840 12.26190 767.2962       114.3902 0.000000       0.000000 767.2962       114.3902 ?        ?        160.2840 12.26190 0.000000       12.26190 
1 1 1 -14 24 24 f 199.9705 10.47483 1187.348       122.4184 0.000000       0.000000 1187.348       122.4184 ?        ?        199.9705 10.47483 0.000000       10.47483 
1 1 1 -14 24 25 o 155.3465 16.61087 734.1182       148.9906 0.000000       0.000000 734.1182       148.9906 ?        ?        155.3465 16.61087 0.000000       16.61087 
1 1 1 -14 24 26 o 238.4482 9.478064 1685.941       132.2812 1140.098       549.0950 1719.571       136.2954 170.7779 50.96309 240.7635 9.672192 -69.98555      51.87280 
1 1 1 -14 24 27 o 261.6550 9.283033 2030.802       142.2266 0.000000       0.000000 2030.802       142.2266 ?        ?        261.6550 9.283033 0.000000       9.283033 
1 1 1 -14 24 28 o 165.1416 11.61967 818.6190       111.8200 624.2054       485.7360 829.4987       114.9062 127.1442 47.87703 166.1576 11.86978 -39.01346      49.32648 
1 1 1 -14 24 29 o 65.27481 21.33523 131.9391       93.99038 277.5906       455.9331 125.4746       96.05357 102.0244 43.43893 64.22586 21.58839 37.79854       48.50772 
1 1 1 -14 24 30 o 150.0106 11.99412 681.1609       104.6431 347.4952       449.6426 700.2673       107.5974 103.6606 43.58731 152.0435 12.16805 -48.38290      45.25390 
1 1 1 -14 24 31 o 123.1346 13.73954 466.3900       97.53213 539.6060       449.3186 462.7696       99.91441 113.7499 45.15448 122.4714 14.17171 -8.721481      47.32615 
1 1 1 -14 24 32 o 140.9626 13.01913 608.4534       106.4153 136.9223       461.3478 634.9509       109.3644 90.56925 40.88701 143.9869 13.09404 -53.41769      42.93252 
1 1 1 -14 24 33 o 30.88821 15.16073 -175.0018      94.29797 48.34861       440.7822 -185.7143      96.53287 84.35105 38.79645 30.89944 15.20065 53.45161       41.66803 
1 1 1 -14 24 34 o 102.9007 17.34953 341.6737       100.9825 -62.32888      413.0865 367.3514       104.1422 76.87500 36.09157 106.8508 17.20266 -29.97585      39.98166 
1 1 1 -14 24 35 o 135.1905 13.72229 568.7400       107.2928 649.4724       451.0160 563.8971       110.4641 112.1052 44.99224 134.3170 14.23961 -22.21181      47.19182 
1 1 1 -14 24 36 o 106.7915 17.63227 372.1386       106.5815 266.0797       497.9056 377.2318       109.1106 90.48502 41.47572 107.3325 17.96801 -16.84751      45.20050 
1 1 1 -14 24 37 f 95.02938 20.30572 307.9672       109.7338 821.3854       480.7345 279.7456       112.7094 116.3840 46.53886 89.61153 21.68310 26.77245       51.34221 
1 1 1 -14 24 38 o 112.1735 17.93909 416.3139       114.0415 333.0865       477.8139 421.3414       117.4354 89.16603 40.78058 112.5158 18.43432 -23.34982      44.75355 
1 1 1 -14 24 39 o 118.2516 16.19383 454.2794       109.3600 38.69641       454.4735 479.8218       112.6706 77.02798 36.66228 121.5611 16.20742 -44.53309      40.08495 
1 1 1 -14 24 40 o 100.0276 21.19128 351.7476       120.4452 52.89118       461.3294 373.6091       124.7728 76.45831 36.54213 103.0496 21.34800 -26.59125      42.32096 
1 1 1 -14 24 41 o 71.92187 24.69103 190.6662       125.7187 200.6666       441.4999 189.7838       131.1481 80.12978 37.52110 71.72781 25.18473 8.401970       45.18964 
1 1 1 -14 25 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 25 2  o 313.5004 9.719118 2898.345       178.4804 3563.317       426.2588 2756.976       196.5387 344.1347 21.22327 305.5110 10.98698 38.62366       23.89856 
1 1 1 -14 25 3  o 361.0718 11.45049 3851.882       242.1691 0.000000       0.000000 3851.882       242.1691 ?        ?        361.0718 11.45049 0.000000       11.45049 
1 1 1 -14 25 4  o 219.6938 9.044585 1423.505       116.2859 0.000000       0.000000 1423.505       116.2859 ?        ?        219.6938 9.044585 0.000000       9.044585 
1 1 1 -14 25 5  o 295.9411 8.727693 2580.258       151.3145 0.000000       0.000000 2580.258       151.3145 ?        ?        295.9411 8.727693 0.000000       8.727693 
1 1 1 -14 25 6  o 314.8378 8.501987 2919.337       156.8412 0.000000       0.000000 2919.337       156.8412 ?        ?        314.8378 8.501987 0.000000       8.501987 
1 1 1 -14 25 7  o 310.2908 8.431369 2835.478       153.2904 0.000000       0.000000 2835.478       153.2904 ?        ?        310.2908 8.431369 0.000000       8.431369 
1 1 1 -14 25 8  o 159.4019 12.12306 754.8240       112.4829 0.000000       0.000000 754.8240       112.4829 ?        ?        159.4019 12.12306 0.000000       12.12306 
1 1 1 -14 25 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 25 10 o 204.6314 9.718119 1236.490       116.2953 0.000000       0.000000 1236.490       116.2953 ?        ?        204.6314 9.718119 0.000000       9.718119 
1 1 1 -14 25 11 o 167.1303 11.61957 828.5756       113.1834 0.000000       0.000000 828.5756       113.1834 ?        ?        167.1303 11.61957 0.000000       11.61957 
1 1 1 -14 25 12 o 318.9897 8.686527 2997.619       162.3562 0.000000       0.000000 2997.619       162.3562 ?        ?        318.9897 8.686527 0.000000       8.686527 
1 1 1 -14 25 13 f 82.26926 37.84152 -245.8347      419.4496 0.000000       0.000000 -245.8347      419.4496 ?        ?        82.26926 37.84152 0.000000       37.84152 
1 1 1 -14 25 14 o 167.2531 11.04237 829.2300       107.7086 0.000000       0.000000 829.2300       107.7086 ?        ?        167.2531 11.04237 0.000000       11.04237 
1 1 1 -14 25 15 o 413.4825 9.097974 5036.878       220.6238 0.000000       0.000000 5036.878       220.6238 ?        ?        413.4825 9.097974 0.000000       9.097974 
1 1 1 -14 25 16 o 247.0746 9.602269 1802.656       138.8753 0.000000       0.000000 1802.656       138.8753 ?        ?        247.0746 9.602269 0.000000       9.602269 
1 1 1 -14 25 17 o 198.0652 10.24594 1161.001       118.6128 0.000000       0.000000 1161.001       118.6128 ?        ?        198.0652 10.24594 0.000000       10.24594 
1 1 1 -14 25 18 o 428.8737 9.285377 5424.700       233.5498 0.000000       0.000000 5424.700       233.5498 ?        ?        428.8737 9.285377 0.000000       9.285377 
1 1 1 -14 25 19 o 106.9987 17.25047 351.0383       104.5702 0.000000       0.000000 351.0383       104.5702 ?        ?        106.9987 17.25047 0.000000       17.25047 
1 1 1 -14 25 20 o 250.4273 9.237054 1853.673       135.4318 0.000000       0.000000 1853.673       135.4318 ?        ?        250.4273 9.237054 0.000000       9.237054 
1 1 1 -14 25 21 o 106.8384 17.75392 351.7940       107.3402 0.000000       0.000000 351.7940       107.3402 ?        ?        106.8384 17.75392 0.000000       17.75392 
1 1 1 -14 25 22 o 136.6070 14.14423 562.3355       111.6815 0.000000       0.000000 562.3355       111.6815 ?        ?        136.6070 14.14423 0.000000       14.14423 
1 1 1 -14 25 23 o 290.7723 8.999862 2500.014       153.2908 0.000000       0.000000 2500.014       153.2908 ?        ?        290.7723 8.999862 0.000000       8.999862 
1 1 1 -14 25 24 o 115.0600 22.33099 419.4214       145.2534 0.000000       0.000000 419.4214       145.2534 ?        ?        115.0600 22.33099 0.000000       22.33099 
1 1 1 -14 25 25 o 89.15819 21.17023 253.6285       109.0374 0.000000       0.000000 253.6285       109.0374 ?        ?        89.15819 21.17023 0.000000       21.17023 
1 1 1 -14 25 26 o 147.1529 17.54101 666.9771       148.4050 0.000000       0.000000 666.9771       148.4050 ?        ?        147.1529 17.54101 0.000000       17.54101 
1 1 1 -14 25 27 o 154.2542 12.09319 716.3485       108.5287 0.000000       0.000000 716.3485       108.5287 ?        ?        154.2542 12.09319 0.000000       12.09319 
1 1 1 -14 25 28 o 66.43393 21.59838 137.5385       96.38846 -327.3611      524.2211 153.8058       98.06033 81.97428 39.11650 69.54256 21.69386 12.43172       44.72946 
1 1 1 -14 25 29 o 162.8287 11.07108 798.3170       105.0947 690.7513       496.8161 803.3558       107.5280 125.5012 48.14414 163.2554 11.30035 -37.75415      49.45256 
1 1 1 -14 25 30 o 48.66839 20.21930 30.16916       95.03185 585.6793       487.2234 8.199736       96.89280 116.5081 46.76196 46.33043 19.88267 70.17765       50.81340 
1 1 1 -14 25 31 o 41.64245 18.68855 -29.71580      94.78573 -9.726695      499.1405 -30.46359      96.54243 86.80035 40.39579 41.97670 18.84796 44.82365       44.57652 
1 1 1 -14 25 32 o 42.98315 19.26141 -27.27944      100.2740 -301.0813      446.5148 -12.73773      102.9024 72.84875 35.11024 44.99895 19.87528 27.84981       40.34546 
1 1 1 -14 25 33 o 58.18949 21.91547 94.34856       101.7863 264.9039       455.4961 85.38416       104.4270 92.73407 41.33858 57.14294 22.03318 35.59113       46.84377 
1 1 1 -14 25 34 o 60.77687 21.89780 113.3306       99.74481 -228.9684      480.3818 128.7530       101.9671 74.96390 36.20099 63.51088 22.21372 11.45302       42.47306 
1 1 1 -14 25 35 o 51.13376 20.97931 49.31819       100.6012 -336.6824      455.9908 69.06753       103.1427 69.68253 34.01877 54.16219 21.59048 15.52035       40.29176 
1 1 1 -14 25 36 o 127.5506 15.27487 517.8432       111.9947 -127.7872      452.8198 559.9102       115.5857 74.08695 35.61770 132.7903 15.11028 -58.70332      38.69032 
1 1 1 -14 25 37 o 137.9197 14.66619 603.4726       116.8129 247.3193       437.6573 630.7904       121.2101 85.41767 39.05228 140.8674 14.89704 -55.44973      41.79715 
1 1 1 -14 25 38 o 155.8470 13.06486 759.6645       118.3155 246.7078       464.3079 795.2858       122.3547 84.72366 39.26839 159.3699 13.20928 -74.64626      41.43057 
1 1 1 -14 25 39 o 162.4326 13.89920 834.4585       131.1364 610.5134       498.9402 851.0765       135.9149 98.01874 43.50490 163.7080 14.29959 -65.68927      45.79470 
1 1 1 -14 25 40 o 51.36511 22.63747 17.97659       132.8013 -525.5518      461.9906 66.93371       138.6532 62.26653 31.07628 56.81437 24.06281 5.452164       39.30336 
1 1 1 -14 25 41 o 96.28880 23.41329 342.3891       130.9210 -71.95213      460.6211 378.8035       136.5529 71.54433 34.76153 101.4511 23.42412 -29.90680      41.91722 
1 1 1 -14 26 1  o 267.1376 13.74648 2117.522       214.6417 1893.844       419.7187 2196.736       249.7733 247.3635 29.51308 271.6082 15.74777 -24.24461      33.45167 
1 1 1 -14 26 2  o 221.7572 12.16656 1456.847       157.6264 1351.168       423.8559 1473.808       169.8052 205.4878 36.50831 222.8792 13.04771 -17.39146      38.76982 
1 1 1 -14 26 3  o 188.3478 15.88899 1060.436       173.8768 1697.155       423.0219 930.9932       190.7340 233.0054 31.78384 175.7016 18.80177 57.30377       36.92857 
1 1 1 -14 26 4  o 186.3919 10.70225 1027.873       116.4992 0.000000       0.000000 1027.873       116.4992 ?        ?        186.3919 10.70225 0.000000       10.70225 
1 1 1 -14 26 5  o 96.82043 18.97349 289.0481       103.8827 0.000000       0.000000 289.0481       103.8827 ?        ?        96.82043 18.97349 0.000000       18.97349 
1 1 1 -14 26 6  o 308.4713 9.188846 2804.512       166.0511 0.000000       0.000000 2804.512       166.0511 ?        ?        308.4713 9.188846 0.000000       9.188846 
1 1 1 -14 26 7  o 270.2306 8.898627 2152.156       140.8365 0.000000       0.000000 2152.156       140.8365 ?        ?        270.2306 8.898627 0.000000       8.898627 
1 1 1 -14 26 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 26 9  o 210.2944 10.46139 1307.263       128.6180 0.000000       0.000000 1307.263       128.6180 ?        ?        210.2944 10.46139 0.000000       10.46139 
1 1 1 -14 26 10 o 119.8707 15.44771 433.3401       106.0774 0.000000       0.000000 433.3401       106.0774 ?        ?        119.8707 15.44771 0.000000       15.44771 
1 1 1 -14 26 11 o 89.92008 40.07708 -94.89655      427.9240 0.000000       0.000000 -94.89655      427.9240 ?        ?        89.92008 40.07708 0.000000       40.07708 
1 1 1 -14 26 12 o 131.0184 13.77629 514.0327       104.2740 0.000000       0.000000 514.0327       104.2740 ?        ?        131.0184 13.77629 0.000000       13.77629 
1 1 1 -14 26 13 o 310.1447 26.61699 2953.513       479.4658 0.000000       0.000000 2953.513       479.4658 ?        ?        310.1447 26.61699 0.000000       26.61699 
1 1 1 -14 26 14 o 319.1224 8.574504 3001.651       160.3331 0.000000       0.000000 3001.651       160.3331 ?        ?        319.1224 8.574504 0.000000       8.574504 
1 1 1 -14 26 15 o 244.7060 9.062327 1767.383       129.8327 0.000000       0.000000 1767.383       129.8327 ?        ?        244.7060 9.062327 0.000000       9.062327 
1 1 1 -14 26 16 o 196.5487 10.17113 1143.565       116.8450 0.000000       0.000000 1143.565       116.8450 ?        ?        196.5487 10.17113 0.000000       10.17113 
1 1 1 -14 26 17 o 305.8721 8.852895 2761.069       158.6421 0.000000       0.000000 2761.069       158.6421 ?        ?        305.8721 8.852895 0.000000       8.852895 
1 1 1 -14 26 18 o 120.6409 15.05388 440.4875       104.1994 0.000000       0.000000 440.4875       104.1994 ?        ?        120.6409 15.05388 0.000000       15.05388 
1 1 1 -14 26 19 o 362.6527 8.958363 3881.466       190.5329 0.000000       0.000000 3881.466       190.5329 ?        ?        362.6527 8.958363 0.000000       8.958363 
1 1 1 -14 26 20 o 243.7806 9.505085 1758.627       135.6353 0.000000       0.000000 1758.627       135.6353 ?        ?        243.7806 9.505085 0.000000       9.505085 
1 1 1 -14 26 21 o 178.6213 11.58647 950.5648       120.7216 0.000000       0.000000 950.5648       120.7216 ?        ?        178.6213 11.58647 0.000000       11.58647 
1 1 1 -14 26 22 o 170.9773 12.02538 872.9837       119.8144 0.000000       0.000000 872.9837       119.8144 ?        ?        170.9773 12.02538 0.000000       12.02538 
1 1 1 -14 26 23 o 153.8322 13.44238 711.8419       120.0586 0.000000       0.000000 711.8419       120.0586 ?        ?        153.8322 13.44238 0.000000       13.44238 
1 1 1 -14 26 24 o 74.66191 22.36800 175.6277       105.6185 0.000000       0.000000 175.6277       105.6185 ?        ?        74.66191 22.36800 0.000000       22.36800 
1 1 1 -14 26 25 o 138.0687 13.90125 578.0071       111.0333 0.000000       0.000000 578.0071       111.0333 ?        ?        138.0687 13.90125 0.000000       13.90125 
1 1 1 -14 26 26 o 65.52785 22.25170 128.9712       102.0520 0.000000       0.000000 128.9712       102.0520 ?        ?        65.52785 22.25170 0.000000       22.25170 
1 1 1 -14 26 27 o 149.6137 12.25209 676.9216       106.5650 0.000000       0.000000 676.9216       106.5650 ?        ?        149.6137 12.25209 0.000000       12.25209 
1 1 1 -14 26 28 o 161.9652 11.55630 791.9184       109.0507 0.000000       0.000000 791.9184       109.0507 ?        ?        161.9652 11.55630 0.000000       11.55630 
1 1 1 -14 26 29 o 48.74376 20.42677 25.97664       98.23721 0.000000       0.000000 25.97664       98.23721 ?        ?        48.74376 20.42677 0.000000       20.42677 
1 1 1 -14 26 30 o 100.2845 18.22580 323.6715       103.2469 -30.09591      536.8598 337.2583       105.2109 88.09615 41.29118 102.4372 18.17839 -14.34108      45.11558 
1 1 1 -14 26 31 o 173.2025 11.37977 909.7697       114.9543 558.7495       517.3334 928.0016       117.9019 110.6032 46.64378 174.8430 11.56291 -64.23985      48.05562 
1 1 1 -14 26 32 o 177.6515 11.67824 961.4749       120.9990 1355.814       513.4931 938.2917       124.5050 162.7583 49.44322 175.1941 12.19371 -12.43573      50.92464 
1 1 1 -14 26 33 o 43.40432 19.46590 -24.54572      102.6413 -500.0914      473.2166 -1.068625      105.1444 67.88696 33.44653 46.25853 20.27270 21.62843       39.11077 
1 1 1 -14 26 34 o 62.33817 22.36617 122.5191       103.9323 -155.0673      495.7190 135.2821       106.2948 76.89954 37.04533 64.56952 22.67303 12.33002       43.43297 
1 1 1 -14 26 35 o 156.9129 12.80238 763.4279       116.7917 -158.7553      485.6922 820.0240       120.3222 75.07502 36.29031 162.7189 12.70907 -87.64387      38.45136 
1 1 1 -14 26 36 o 91.41330 21.46969 291.4726       113.1293 -262.0568      451.6956 328.5179       116.8537 69.54271 33.93034 97.49568 21.05345 -27.95297      39.93139 
1 1 1 -14 26 37 o 68.04633 23.47885 161.2801       113.7242 516.8220       493.5207 141.3421       116.8694 96.05953 42.91113 65.00613 23.66368 31.05341       49.00342 
1 1 1 -14 26 38 o 107.7674 19.90686 397.9929       121.1837 286.5860       481.4661 405.5280       125.2148 85.31609 39.69461 108.3838 20.44841 -23.06773      44.65198 
1 1 1 -14 26 39 o 73.31292 26.22148 200.5906       142.7310 -78.76064      454.1259 231.2106       150.3501 71.98782 34.86841 77.47012 26.98198 -5.482300      44.08892 
1 1 1 -14 26 40 o 136.9981 18.69188 633.7638       146.2692 -194.3949      472.3913 721.5824       153.8290 69.32131 34.00596 146.6729 18.27846 -77.35155      38.60709 
1 1 1 -14 27 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 27 2  o 390.3342 10.14348 4493.970       232.0096 0.000000       0.000000 4493.970       232.0096 ?        ?        390.3342 10.14348 0.000000       10.14348 
1 1 1 -14 27 3  o 377.3015 9.738306 4197.253       215.3076 0.000000       0.000000 4197.253       215.3076 ?        ?        377.3015 9.738306 0.000000       9.738306 
1 1 1 -14 27 4  o 426.0019 10.11013 5349.372       252.5914 0.000000       0.000000 5349.372       252.5914 ?        ?        426.0019 10.11013 0.000000       10.11013 
1 1 1 -14 27 5  o 201.1360 9.844164 1195.034       115.7705 2109.365       459.7426 1133.129       119.6254 260.4456 30.68703 195.7514 10.45797 64.69421       32.42010 
1 1 1 -14 27 6  o 128.7920 14.44991 497.6220       107.2651 0.000000       0.000000 497.6220       107.2651 ?        ?        128.7920 14.44991 0.000000       14.44991 
1 1 1 -14 27 7  f 63.04959 21.90159 108.3492       99.02881 0.000000       0.000000 108.3492       99.02881 ?        ?        63.04959 21.90159 0.000000       21.90159 
1 1 1 -14 27 8  o 367.5511 8.772314 3977.882       189.0960 0.000000       0.000000 3977.882       189.0960 ?        ?        367.5511 8.772314 0.000000       8.772314 
1 1 1 -14 27 9  o 162.8510 11.26368 786.7765       106.9147 0.000000       0.000000 786.7765       106.9147 ?        ?        162.8510 11.26368 0.000000       11.26368 
1 1 1 -14 27 10 o 261.4539 11.07774 2022.050       169.4772 0.000000       0.000000 2022.050       169.4772 ?        ?        261.4539 11.07774 0.000000       11.07774 
1 1 1 -14 27 11 o 106.1483 16.88120 343.8221       101.5760 0.000000       0.000000 343.8221       101.5760 ?        ?        106.1483 16.88120 0.000000       16.88120 
1 1 1 -14 27 12 o 109.9026 15.41456 366.0110       96.62724 0.000000       0.000000 366.0110       96.62724 ?        ?        109.9026 15.41456 0.000000       15.41456 
1 1 1 -14 27 13 o 231.2687 32.26931 1697.312       425.7794 0.000000       0.000000 1697.312       425.7794 ?        ?        231.2687 32.26931 0.000000       32.26931 
1 1 1 -14 27 14 o 307.7945 8.741261 2794.504       157.6323 0.000000       0.000000 2794.504       157.6323 ?        ?        307.7945 8.741261 0.000000       8.741261 
1 1 1 -14 27 15 o 218.5677 9.683030 1412.972       123.8136 0.000000       0.000000 1412.972       123.8136 ?        ?        218.5677 9.683030 0.000000       9.683030 
1 1 1 -14 27 16 o 305.2346 8.930550 2750.910       159.6964 0.000000       0.000000 2750.910       159.6964 ?        ?        305.2346 8.930550 0.000000       8.930550 
1 1 1 -14 27 17 o 302.0321 8.877185 2694.078       157.0751 0.000000       0.000000 2694.078       157.0751 ?        ?        302.0321 8.877185 0.000000       8.877185 
1 1 1 -14 27 18 o 267.5976 9.380888 2117.810       146.9956 0.000000       0.000000 2117.810       146.9956 ?        ?        267.5976 9.380888 0.000000       9.380888 
1 1 1 -14 27 19 o 170.8814 11.14007 869.0848       111.0348 0.000000       0.000000 869.0848       111.0348 ?        ?        170.8814 11.14007 0.000000       11.14007 
1 1 1 -14 27 20 o 67.36493 22.19875 134.6820       101.6671 0.000000       0.000000 134.6820       101.6671 ?        ?        67.36493 22.19875 0.000000       22.19875 
1 1 1 -14 27 21 o 215.7352 9.958866 1380.892       125.6632 0.000000       0.000000 1380.892       125.6632 ?        ?        215.7352 9.958866 0.000000       9.958866 
1 1 1 -14 27 22 o 188.6393 11.65236 1062.460       128.2837 0.000000       0.000000 1062.460       128.2837 ?        ?        188.6393 11.65236 0.000000       11.65236 
1 1 1 -14 27 23 o 187.0713 11.47334 1045.754       125.2719 0.000000       0.000000 1045.754       125.2719 ?        ?        187.0713 11.47334 0.000000       11.47334 
1 1 1 -14 27 24 o 119.5607 15.79492 439.7410       108.0467 0.000000       0.000000 439.7410       108.0467 ?        ?        119.5607 15.79492 0.000000       15.79492 
1 1 1 -14 27 25 o 89.98843 19.71983 260.0420       101.1927 0.000000       0.000000 260.0420       101.1927 ?        ?        89.98843 19.71983 0.000000       19.71983 
1 1 1 -14 27 26 o 220.2654 11.34747 1457.626       146.0930 0.000000       0.000000 1457.626       146.0930 ?        ?        220.2654 11.34747 0.000000       11.34747 
1 1 1 -14 27 27 o 102.8488 17.32244 334.9836       100.7772 0.000000       0.000000 334.9836       100.7772 ?        ?        102.8488 17.32244 0.000000       17.32244 
1 1 1 -14 27 28 o 141.2089 13.32938 610.5657       109.0820 0.000000       0.000000 610.5657       109.0820 ?        ?        141.2089 13.32938 0.000000       13.32938 
1 1 1 -14 27 29 o 91.43290 20.71801 276.6919       108.5167 0.000000       0.000000 276.6919       108.5167 ?        ?        91.43290 20.71801 0.000000       20.71801 
1 1 1 -14 27 30 o 102.9497 19.14662 345.6576       111.3489 0.000000       0.000000 345.6576       111.3489 ?        ?        102.9497 19.14662 0.000000       19.14662 
1 1 1 -14 27 31 f 49.74985 21.27051 20.96646       110.1330 0.000000       0.000000 20.96646       110.1330 ?        ?        49.74985 21.27051 0.000000       21.27051 
1 1 1 -14 27 32 o 60.46615 22.59731 106.9856       107.7758 441.6768       551.9012 93.71631       109.8915 100.3128 45.05117 58.72079 22.61262 41.59204       50.40773 
1 1 1 -14 27 33 o 61.53475 22.56369 116.2926       106.5447 206.5287       488.9418 111.7942       109.1681 88.37707 40.72522 61.05083 22.75733 27.32624       46.65232 
1 1 1 -14 27 34 o 224.9743 10.29507 1536.388       135.4753 1367.763       503.6882 1549.538       140.6586 154.9500 49.27951 225.6628 10.65822 -70.71277      50.41892 
1 1 1 -14 27 35 o 50.62494 21.32696 39.38779       107.9693 208.8255       517.1667 31.66626       110.4021 86.10040 40.41021 50.12222 21.35919 35.97818       45.70776 
1 1 1 -14 27 36 o 46.74876 20.83364 -7.894562      115.6086 -411.5076      507.1998 14.22407       118.7341 68.54288 33.92736 49.39495 21.59767 19.14793       40.21847 
1 1 1 -14 27 37 o 58.03942 23.33678 90.22239       121.5774 335.8591       529.2656 76.53898       124.9178 87.70875 41.07372 56.73522 23.33836 30.97353       47.24119 
1 1 1 -14 27 38 o 50.89925 22.31338 20.57565       127.4659 -633.8609      486.4271 68.82763       132.0814 61.95667 31.06349 56.36097 23.65652 5.595695       39.04576 
1 1 1 -14 27 39 f 100.8244 24.44657 379.4244       143.0426 -122.3172      485.6057 427.0964       149.6839 71.77222 35.05350 107.3042 24.34587 -35.53203      42.67868 
1 1 1 -14 28 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 28 2  o 417.2438 12.71437 5154.558       310.7621 0.000000       0.000000 5154.558       310.7621 ?        ?        417.2438 12.71437 0.000000       12.71437 
1 1 1 -14 28 3  o 247.2681 13.85740 1817.249       200.1517 2597.952       475.0953 1648.789       220.6922 290.1718 28.27566 234.9283 16.11535 55.24353       32.54562 
1 1 1 -14 28 4  o 234.1590 9.278543 1617.997       127.1688 1142.035       439.1729 1661.558       132.8607 185.6643 41.38944 237.2481 9.568312 -51.58372      42.48103 
1 1 1 -14 28 5  o 175.7707 10.51315 914.7952       107.8800 2090.945       464.2079 847.6473       110.9167 258.4624 31.25846 169.0519 11.25137 89.41048       33.22175 
1 1 1 -14 28 6  o 245.9233 8.812193 1783.625       126.8912 2361.565       494.5673 1742.899       131.2859 274.7144 31.25174 243.0287 9.227833 31.68575       32.58564 
1 1 1 -14 28 7  o 41.02057 19.49325 -154.3597      127.4626 0.000000       0.000000 -154.3597      127.4626 ?        ?        41.02057 19.49325 0.000000       19.49325 
1 1 1 -14 28 8  o 264.8431 8.846169 2068.789       137.2096 0.000000       0.000000 2068.789       137.2096 ?        ?        264.8431 8.846169 0.000000       8.846169 
1 1 1 -14 28 9  o 118.1565 14.46737 420.6024       98.16389 0.000000       0.000000 420.6024       98.16389 ?        ?        118.1565 14.46737 0.000000       14.46737 
1 1 1 -14 28 10 o 202.4067 9.426155 1210.710       111.5875 0.000000       0.000000 1210.710       111.5875 ?        ?        202.4067 9.426155 0.000000       9.426155 
1 1 1 -14 28 11 o 230.2569 9.289406 1566.076       125.1869 0.000000       0.000000 1566.076       125.1869 ?        ?        230.2569 9.289406 0.000000       9.289406 
1 1 1 -14 28 12 o 243.1884 9.490573 1747.711       135.0987 0.000000       0.000000 1747.711       135.0987 ?        ?        243.1884 9.490573 0.000000       9.490573 
1 1 1 -14 28 13 o 212.6271 12.75710 1346.224       158.3504 0.000000       0.000000 1346.224       158.3504 ?        ?        212.6271 12.75710 0.000000       12.75710 
1 1 1 -14 28 14 o 264.2155 9.180364 2062.781       142.0393 0.000000       0.000000 2062.781       142.0393 ?        ?        264.2155 9.180364 0.000000       9.180364 
1 1 1 -14 28 15 o 108.3148 24.52298 373.6028       152.1430 0.000000       0.000000 373.6028       152.1430 ?        ?        108.3148 24.52298 0.000000       24.52298 
1 1 1 -14 28 16 o 156.3802 12.85836 731.6818       116.8874 0.000000       0.000000 731.6818       116.8874 ?        ?        156.3802 12.85836 0.000000       12.85836 
1 1 1 -14 28 17 o 193.1489 10.73325 1108.203       121.1052 0.000000       0.000000 1108.203       121.1052 ?        ?        193.1489 10.73325 0.000000       10.73325 
1 1 1 -14 28 18 o 114.8694 17.20837 405.2574       112.3651 0.000000       0.000000 405.2574       112.3651 ?        ?        114.8694 17.20837 0.000000       17.20837 
1 1 1 -14 28 19 o 54.97970 21.92523 52.65217       106.4084 0.000000       0.000000 52.65217       106.4084 ?        ?        54.97970 21.92523 0.000000       21.92523 
1 1 1 -14 28 20 o 242.3705 9.636131 1741.807       136.6994 0.000000       0.000000 1741.807       136.6994 ?        ?        242.3705 9.636131 0.000000       9.636131 
1 1 1 -14 28 21 o 38.72535 18.22237 -106.5725      106.3573 0.000000       0.000000 -106.5725      106.3573 ?        ?        38.72535 18.22237 0.000000       18.22237 
1 1 1 -14 28 22 o 140.3980 13.97601 597.4309       113.5518 0.000000       0.000000 597.4309       113.5518 ?        ?        140.3980 13.97601 0.000000       13.97601 
1 1 1 -14 28 23 o 45.42251 20.02332 -19.21113      103.9598 0.000000       0.000000 -19.21113      103.9598 ?        ?        45.42251 20.02332 0.000000       20.02332 
1 1 1 -14 28 24 o 50.99477 21.10869 32.88134       103.0498 0.000000       0.000000 32.88134       103.0498 ?        ?        50.99477 21.10869 0.000000       21.10869 
1 1 1 -14 28 25 o 159.0489 12.83991 767.9257       118.7514 0.000000       0.000000 767.9257       118.7514 ?        ?        159.0489 12.83991 0.000000       12.83991 
1 1 1 -14 28 26 o 151.9439 12.82908 702.8173       113.2546 0.000000       0.000000 702.8173       113.2546 ?        ?        151.9439 12.82908 0.000000       12.82908 
1 1 1 -14 28 27 o 78.35489 21.40670 203.7882       101.1409 0.000000       0.000000 203.7882       101.1409 ?        ?        78.35489 21.40670 0.000000       21.40670 
1 1 1 -14 28 28 o 45.22781 19.72435 -2.939339      98.47530 0.000000       0.000000 -2.939339      98.47530 ?        ?        45.22781 19.72435 0.000000       19.72435 
1 1 1 -14 28 29 o 133.6618 14.82085 556.7475       114.2296 0.000000       0.000000 556.7475       114.2296 ?        ?        133.6618 14.82085 0.000000       14.82085 
1 1 1 -14 28 30 o 72.41897 23.32020 177.3239       112.5325 0.000000       0.000000 177.3239       112.5325 ?        ?        72.41897 23.32020 0.000000       23.32020 
1 1 1 -14 28 31 o 220.4727 10.63280 1472.921       137.0789 0.000000       0.000000 1472.921       137.0789 ?        ?        220.4727 10.63280 0.000000       10.63280 
1 1 1 -14 28 32 o 167.8192 12.95170 870.8026       126.4876 0.000000       0.000000 870.8026       126.4876 ?        ?        167.8192 12.95170 0.000000       12.95170 
1 1 1 -14 28 33 o 129.7974 16.38255 541.6863       121.9364 0.000000       0.000000 541.6863       121.9364 ?        ?        129.7974 16.38255 0.000000       16.38255 
1 1 1 -14 28 34 o 140.3311 15.23091 627.3419       123.3438 593.5695       492.3195 629.6037       127.4072 101.7505 44.24205 140.1960 15.76869 -38.44550      46.96818 
1 1 1 -14 28 35 o 63.89909 23.71987 133.1966       118.3626 -801.1719      552.0954 178.2112       121.1802 64.37715 32.38769 70.85316 24.24380 -6.476006      40.45645 
1 1 1 -14 28 36 o 43.97280 20.28113 -52.23385      121.6422 -439.0231      569.9873 -33.77703      124.5106 70.41357 35.04181 45.93074 20.93423 24.48283       40.81876 
1 1 1 -14 28 37 o 63.89202 24.33415 134.6705       126.3270 -572.9311      497.7301 183.3909       130.6036 63.66294 31.84623 70.92952 25.11260 -7.266582      40.55644 
1 1 1 -14 28 38 o 121.0430 19.41834 500.2982       133.1888 534.6898       526.6761 497.9486       137.6634 92.43886 42.47682 120.0126 20.28062 -27.57369      47.06999 
1 1 1 -14 29 1  o 494.4400 18.34108 7325.065       530.9279 7325.065       530.9279 0.000000       0.000000 494.4400 18.34108 ?        ?        0.000000       18.34108 
1 1 1 -14 29 2  o 237.0062 12.81531 1668.426       177.4684 1326.197       403.9022 1750.304       197.5604 202.8064 35.23616 242.4864 13.95080 -39.68002      37.89738 
1 1 1 -14 29 3  o 164.6480 11.64402 805.4778       111.7119 405.7224       440.5825 832.9440       115.4859 120.5943 45.55632 167.4087 11.83888 -46.81442      47.06950 
1 1 1 -14 29 4  f 341.8921 8.758074 3446.271       175.4650 4847.284       542.3751 3282.501       185.4370 399.2888 23.26199 333.5067 9.490371 65.78204       25.12345 
1 1 1 -14 29 5  f 230.3360 9.995683 1568.472       134.7068 0.000000       0.000000 1568.472       134.7068 ?        ?        230.3360 9.995683 0.000000       9.995683 
1 1 1 -14 29 6  o 201.2011 10.01095 1197.651       117.7579 745.3497       515.8138 1222.520       120.9520 148.3226 50.02835 203.2542 10.17905 -54.93159      51.05339 
1 1 1 -14 29 7  o 138.1168 13.10324 570.6249       104.8697 0.000000       0.000000 570.6249       104.8697 ?        ?        138.1168 13.10324 0.000000       13.10324 
1 1 1 -14 29 8  f 435.9443 8.845284 5602.738       226.1483 6177.279       642.6846 5521.545       241.5999 449.2716 24.48403 432.5910 9.522889 16.68060       26.27077 
1 1 1 -14 29 9  o 272.7970 13.12643 2213.880       209.3921 0.000000       0.000000 2213.880       209.3921 ?        ?        272.7970 13.12643 0.000000       13.12643 
1 1 1 -14 29 10 o 239.2910 9.275971 1692.231       129.9311 0.000000       0.000000 1692.231       129.9311 ?        ?        239.2910 9.275971 0.000000       9.275971 
1 1 1 -14 29 11 o 241.0865 9.422194 1718.484       132.9653 0.000000       0.000000 1718.484       132.9653 ?        ?        241.0865 9.422194 0.000000       9.422194 
1 1 1 -14 29 12 o 234.5737 36.22352 1807.726       482.3014 0.000000       0.000000 1807.726       482.3014 ?        ?        234.5737 36.22352 0.000000       36.22352 
1 1 1 -14 29 13 o 134.8792 19.95374 561.3435       153.0845 0.000000       0.000000 561.3435       153.0845 ?        ?        134.8792 19.95374 0.000000       19.95374 
1 1 1 -14 29 14 o 289.1789 12.90515 2491.414       218.3156 0.000000       0.000000 2491.414       218.3156 ?        ?        289.1789 12.90515 0.000000       12.90515 
1 1 1 -14 29 15 o 307.1014 9.420010 2789.544       169.4610 0.000000       0.000000 2789.544       169.4610 ?        ?        307.1014 9.420010 0.000000       9.420010 
1 1 1 -14 29 16 o 125.3490 16.82230 480.2537       120.5487 0.000000       0.000000 480.2537       120.5487 ?        ?        125.3490 16.82230 0.000000       16.82230 
1 1 1 -14 29 17 o 155.2293 13.98580 725.2661       125.9604 0.000000       0.000000 725.2661       125.9604 ?        ?        155.2293 13.98580 0.000000       13.98580 
1 1 1 -14 29 18 o 227.9074 14.44828 1561.516       192.1249 0.000000       0.000000 1561.516       192.1249 ?        ?        227.9074 14.44828 0.000000       14.44828 
1 1 1 -14 29 19 f 96.83762 20.30380 297.0959       111.6205 0.000000       0.000000 297.0959       111.6205 ?        ?        96.83762 20.30380 0.000000       20.30380 
1 1 1 -14 29 20 o 55.74065 22.11726 58.87299       107.7544 0.000000       0.000000 58.87299       107.7544 ?        ?        55.74065 22.11726 0.000000       22.11726 
1 1 1 -14 29 21 o 43.04524 19.35843 -40.06255      102.2943 0.000000       0.000000 -40.06255      102.2943 ?        ?        43.04524 19.35843 0.000000       19.35843 
1 1 1 -14 29 22 o 167.4921 12.05700 844.7343       117.6436 0.000000       0.000000 844.7343       117.6436 ?        ?        167.4921 12.05700 0.000000       12.05700 
1 1 1 -14 29 23 o 47.29352 20.48589 -0.6203959     104.7388 0.000000       0.000000 -0.6203959     104.7388 ?        ?        47.29352 20.48589 0.000000       20.48589 
1 1 1 -14 29 24 o 64.54732 21.87115 128.0368       98.58681 0.000000       0.000000 128.0368       98.58681 ?        ?        64.54732 21.87115 0.000000       21.87115 
1 1 1 -14 29 25 o 254.6832 21.81638 2091.487       322.7261 0.000000       0.000000 2091.487       322.7261 ?        ?        254.6832 21.81638 0.000000       21.81638 
1 1 1 -14 29 26 f 133.2697 14.08991 547.7803       108.4606 0.000000       0.000000 547.7803       108.4606 ?        ?        133.2697 14.08991 0.000000       14.08991 
1 1 1 -14 29 27 o 256.7333 11.16898 1990.057       167.7668 0.000000       0.000000 1990.057       167.7668 ?        ?        256.7333 11.16898 0.000000       11.16898 
1 1 1 -14 29 28 o 138.3447 14.16559 593.6181       113.3128 0.000000       0.000000 593.6181       113.3128 ?        ?        138.3447 14.16559 0.000000       14.16559 
1 1 1 -14 29 29 o 79.19955 22.72177 215.7713       111.0307 0.000000       0.000000 215.7713       111.0307 ?        ?        79.19955 22.72177 0.000000       22.72177 
1 1 1 -14 29 30 o 189.8008 11.37466 1097.787       126.0346 0.000000       0.000000 1097.787       126.0346 ?        ?        189.8008 11.37466 0.000000       11.37466 
1 1 1 -14 29 31 o 72.59484 23.86975 182.1728       117.5729 0.000000       0.000000 182.1728       117.5729 ?        ?        72.59484 23.86975 0.000000       23.86975 
1 1 1 -14 29 32 o 128.3131 16.80827 532.0372       123.4484 0.000000       0.000000 532.0372       123.4484 ?        ?        128.3131 16.80827 0.000000       16.80827 
1 1 1 -14 29 33 o 217.7306 11.70534 1457.167       148.9205 0.000000       0.000000 1457.167       148.9205 ?        ?        217.7306 11.70534 0.000000       11.70534 
1 1 1 -14 29 34 o 123.4833 18.34550 506.6389       128.8269 0.000000       0.000000 506.6389       128.8269 ?        ?        123.4833 18.34550 0.000000       18.34550 
1 1 1 -14 29 35 o 51.80985 22.26204 35.24624       121.7569 0.000000       0.000000 35.24624       121.7569 ?        ?        51.80985 22.26204 0.000000       22.26204 
1 1 1 -14 29 36 o 59.35049 24.10243 96.06188       131.1343 -461.7101      521.1820 133.7595       135.4933 66.85688 33.31003 64.27205 25.01092 2.584831       41.65458 
1 1 1 -14 29 37 o 45.32618 20.84167 -43.47219      127.0848 -407.9731      489.8317 -17.16612      131.5908 65.93179 32.75681 48.13130 21.77227 17.80048       39.33243 
1 1 1 -14 30 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 30 2  o 387.6082 10.41898 4442.658       236.6326 5764.975       503.9417 4068.632       268.0179 437.0027 19.71357 370.2895 12.35893 66.71326       23.26732 
1 1 1 -14 30 3  o 247.1494 13.24075 1818.636       191.2205 2598.212       441.9697 1639.099       212.0997 289.5631 26.31252 233.9200 15.54871 55.64307       30.56323 
1 1 1 -14 30 4  o 143.7347 13.83555 619.6326       115.1904 148.7178       451.4902 652.4202       119.1330 103.3088 43.57142 147.4975 13.93728 -44.18870      45.74622 
1 1 1 -14 30 5  o 365.5127 9.838474 3948.383       210.7102 0.000000       0.000000 3948.383       210.7102 ?        ?        365.5127 9.838474 0.000000       9.838474 
1 1 1 -14 30 6  o 103.9533 24.98240 344.1218       150.4109 0.000000       0.000000 344.1218       150.4109 ?        ?        103.9533 24.98240 0.000000       24.98240 
1 1 1 -14 30 7  o 274.8757 8.922913 2231.366       143.6540 2635.255       534.6877 2199.944       149.1374 287.1989 32.30391 272.8406 9.333983 14.35834       33.62538 
1 1 1 -14 30 8  o 292.1844 8.860087 2521.006       151.6504 0.000000       0.000000 2521.006       151.6504 ?        ?        292.1844 8.860087 0.000000       8.860087 
1 1 1 -14 30 9  o 190.4333 10.69558 1076.411       118.9731 65.64877       509.9214 1134.601       122.3499 102.8104 44.85950 195.5250 10.71057 -92.71459      46.12040 
1 1 1 -14 30 10 o 214.1023 10.31697 1358.977       129.1647 0.000000       0.000000 1358.977       129.1647 ?        ?        214.1023 10.31697 0.000000       10.31697 
1 1 1 -14 30 11 o 78.37235 37.85963 -651.6652      526.4894 0.000000       0.000000 -651.6652      526.4894 ?        ?        78.37235 37.85963 0.000000       37.85963 
1 1 1 -14 30 12 o 109.8076 16.96069 370.1231       105.7109 0.000000       0.000000 370.1231       105.7109 ?        ?        109.8076 16.96069 0.000000       16.96069 
1 1 1 -14 30 13 o 133.7262 14.54108 540.1419       112.2075 0.000000       0.000000 540.1419       112.2075 ?        ?        133.7262 14.54108 0.000000       14.54108 
1 1 1 -14 30 14 o 279.9671 9.984886 2322.465       163.6834 0.000000       0.000000 2322.465       163.6834 ?        ?        279.9671 9.984886 0.000000       9.984886 
1 1 1 -14 30 15 o 137.1826 15.30062 570.8674       121.0070 0.000000       0.000000 570.8674       121.0070 ?        ?        137.1826 15.30062 0.000000       15.30062 
1 1 1 -14 30 16 o 205.6847 12.13763 1263.661       145.7644 0.000000       0.000000 1263.661       145.7644 ?        ?        205.6847 12.13763 0.000000       12.13763 
1 1 1 -14 30 17 o 171.2961 13.04557 881.3954       130.0715 0.000000       0.000000 881.3954       130.0715 ?        ?        171.2961 13.04557 0.000000       13.04557 
1 1 1 -14 30 18 o 104.5316 19.17249 343.5879       113.2074 0.000000       0.000000 343.5879       113.2074 ?        ?        104.5316 19.17249 0.000000       19.17249 
1 1 1 -14 30 19 o 77.97232 22.78928 195.1889       110.7440 0.000000       0.000000 195.1889       110.7440 ?        ?        77.97232 22.78928 0.000000       22.78928 
1 1 1 -14 30 20 o 71.60121 32.81511 -104.5602      311.5245 0.000000       0.000000 -104.5602      311.5245 ?        ?        71.60121 32.81511 0.000000       32.81511 
1 1 1 -14 30 21 o 214.0085 10.52867 1370.315       131.7406 0.000000       0.000000 1370.315       131.7406 ?        ?        214.0085 10.52867 0.000000       10.52867 
1 1 1 -14 30 22 o 68.02443 22.10872 146.1598       101.0016 0.000000       0.000000 146.1598       101.0016 ?        ?        68.02443 22.10872 0.000000       22.10872 
1 1 1 -14 30 23 o 261.7379 9.473170 2045.796       145.1762 0.000000       0.000000 2045.796       145.1762 ?        ?        261.7379 9.473170 0.000000       9.473170 
1 1 1 -14 30 24 o 158.2186 12.72742 762.6915       117.1040 0.000000       0.000000 762.6915       117.1040 ?        ?        158.2186 12.72742 0.000000       12.72742 
1 1 1 -14 30 25 o 58.24646 22.41580 85.91848       107.9388 0.000000       0.000000 85.91848       107.9388 ?        ?        58.24646 22.41580 0.000000       22.41580 
1 1 1 -14 30 26 o 67.58233 22.82275 146.7896       107.3488 0.000000       0.000000 146.7896       107.3488 ?        ?        67.58233 22.82275 0.000000       22.82275 
1 1 1 -14 30 27 f 165.0792 12.54597 834.5446       120.5543 0.000000       0.000000 834.5446       120.5543 ?        ?        165.0792 12.54597 0.000000       12.54597 
1 1 1 -14 30 28 o 40.64651 18.81961 -65.69154      106.2312 0.000000       0.000000 -65.69154      106.2312 ?        ?        40.64651 18.81961 0.000000       18.81961 
1 1 1 -14 30 29 o 154.5658 13.70076 742.2702       122.9112 0.000000       0.000000 742.2702       122.9112 ?        ?        154.5658 13.70076 0.000000       13.70076 
1 1 1 -14 30 30 o 86.19566 22.89598 260.7257       117.6884 0.000000       0.000000 260.7257       117.6884 ?        ?        86.19566 22.89598 0.000000       22.89598 
1 1 1 -14 30 31 o 145.4143 15.77181 674.8683       132.3540 0.000000       0.000000 674.8683       132.3540 ?        ?        145.4143 15.77181 0.000000       15.77181 
1 1 1 -14 30 32 o 70.84798 24.61968 176.0229       125.1397 0.000000       0.000000 176.0229       125.1397 ?        ?        70.84798 24.61968 0.000000       24.61968 
1 1 1 -14 30 33 o 104.5946 23.14779 390.8564       138.2339 0.000000       0.000000 390.8564       138.2339 ?        ?        104.5946 23.14779 0.000000       23.14779 
1 1 1 -14 30 34 o 166.8986 14.59114 885.6820       141.3863 0.000000       0.000000 885.6820       141.3863 ?        ?        166.8986 14.59114 0.000000       14.59114 
1 1 1 -14 30 35 o 175.3507 14.43419 979.0211       147.1267 0.000000       0.000000 979.0211       147.1267 ?        ?        175.3507 14.43419 0.000000       14.43419 
1 1 1 -14 30 36 o 44.01550 20.71111 -88.15878      137.3764 0.000000       0.000000 -88.15878      137.3764 ?        ?        44.01550 20.71111 0.000000       20.71111 
1 1 1 -14 31 1  o 220.7764 11.74048 1448.829       151.4693 0.000000       0.000000 1448.829       151.4693 ?        ?        220.7764 11.74048 0.000000       11.74048 
1 1 1 -14 31 2  o 404.9526 19.26148 4960.598       456.1394 4960.598       456.1394 0.000000       0.000000 404.9526 19.26148 ?        ?        0.000000       19.26148 
1 1 1 -14 31 3  o 311.5298 10.13792 2872.271       184.9781 0.000000       0.000000 2872.271       184.9781 ?        ?        311.5298 10.13792 0.000000       10.13792 
1 1 1 -14 31 4  o 162.5404 13.27949 790.7406       125.4858 0.000000       0.000000 790.7406       125.4858 ?        ?        162.5404 13.27949 0.000000       13.27949 
1 1 1 -14 31 5  o 194.9256 11.35168 1129.610       129.2101 389.8157       455.1575 1194.454       134.7539 117.7320 45.83328 200.4216 11.51271 -82.68962      47.25709 
1 1 1 -14 31 6  o 61.44791 22.33560 97.54568       104.0662 34.25455       459.2964 100.9707       106.8449 96.83269 42.40543 62.35963 22.63694 34.47306       48.06924 
1 1 1 -14 31 7  o 109.8131 16.10387 368.4291       100.6330 266.0952       448.9888 373.8418       103.2600 108.9492 44.46600 110.5457 16.42574 -1.596436      47.40285 
1 1 1 -14 31 8  o 159.8821 11.89449 762.6917       110.7321 1393.791       476.7025 726.6969       113.8461 200.8883 41.82298 155.8882 12.55864 45.00011       43.66785 
1 1 1 -14 31 9  o 378.7274 9.150694 4236.861       203.2504 0.000000       0.000000 4236.861       203.2504 ?        ?        378.7274 9.150694 0.000000       9.150694 
1 1 1 -14 31 10 o 263.2457 9.108780 2049.578       140.4162 973.0119       473.0368 2153.604       147.0439 163.5749 46.89033 269.8010 9.306871 -106.2261      47.80503 
1 1 1 -14 31 11 o 271.3798 13.12304 2198.842       208.2444 0.000000       0.000000 2198.842       208.2444 ?        ?        271.3798 13.12304 0.000000       13.12304 
1 1 1 -14 31 12 o 207.4679 11.10654 1280.707       134.6464 0.000000       0.000000 1280.707       134.6464 ?        ?        207.4679 11.10654 0.000000       11.10654 
1 1 1 -14 31 13 o 189.7785 11.88509 1075.240       131.6176 0.000000       0.000000 1075.240       131.6176 ?        ?        189.7785 11.88509 0.000000       11.88509 
1 1 1 -14 31 14 o 331.7090 12.05858 3280.785       234.1967 0.000000       0.000000 3280.785       234.1967 ?        ?        331.7090 12.05858 0.000000       12.05858 
1 1 1 -14 31 15 o 181.3252 11.92895 983.6983       126.1514 0.000000       0.000000 983.6983       126.1514 ?        ?        181.3252 11.92895 0.000000       11.92895 
1 1 1 -14 31 16 o 166.6599 12.77842 835.2594       123.9463 0.000000       0.000000 835.2594       123.9463 ?        ?        166.6599 12.77842 0.000000       12.77842 
1 1 1 -14 31 17 o 138.7200 14.46513 585.8016       115.9555 0.000000       0.000000 585.8016       115.9555 ?        ?        138.7200 14.46513 0.000000       14.46513 
1 1 1 -14 31 18 o 182.9656 11.80903 1005.737       126.0401 0.000000       0.000000 1005.737       126.0401 ?        ?        182.9656 11.80903 0.000000       11.80903 
1 1 1 -14 31 19 o 33.02745 16.10059 -172.5618      101.0954 0.000000       0.000000 -172.5618      101.0954 ?        ?        33.02745 16.10059 0.000000       16.10059 
1 1 1 -14 31 20 f 75.78850 22.70991 187.6053       108.8642 0.000000       0.000000 187.6053       108.8642 ?        ?        75.78850 22.70991 0.000000       22.70991 
1 1 1 -14 31 21 o 87.67372 20.90211 252.4431       105.9533 0.000000       0.000000 252.4431       105.9533 ?        ?        87.67372 20.90211 0.000000       20.90211 
1 1 1 -14 31 22 o 66.30856 31.33469 -202.0629      320.6211 0.000000       0.000000 -202.0629      320.6211 ?        ?        66.30856 31.33469 0.000000       31.33469 
1 1 1 -14 31 23 o 64.52613 23.07143 125.0683       110.4886 0.000000       0.000000 125.0683       110.4886 ?        ?        64.52613 23.07143 0.000000       23.07143 
1 1 1 -14 31 24 o 58.31134 22.63857 84.52947       110.8076 0.000000       0.000000 84.52947       110.8076 ?        ?        58.31134 22.63857 0.000000       22.63857 
1 1 1 -14 31 25 o 109.9586 17.09582 386.0984       106.6672 0.000000       0.000000 386.0984       106.6672 ?        ?        109.9586 17.09582 0.000000       17.09582 
1 1 1 -14 31 26 o 194.0787 11.68006 1147.068       132.3302 0.000000       0.000000 1147.068       132.3302 ?        ?        194.0787 11.68006 0.000000       11.68006 
1 1 1 -14 31 27 o 81.27528 23.16322 229.4714       115.7598 0.000000       0.000000 229.4714       115.7598 ?        ?        81.27528 23.16322 0.000000       23.16322 
1 1 1 -14 31 28 o 86.26694 22.74777 259.3712       116.7122 0.000000       0.000000 259.3712       116.7122 ?        ?        86.26694 22.74777 0.000000       22.74777 
1 1 1 -14 31 29 o 84.09174 24.01628 252.0510       124.3149 0.000000       0.000000 252.0510       124.3149 ?        ?        84.09174 24.01628 0.000000       24.01628 
1 1 1 -14 31 30 o 56.66280 23.10658 73.67388       121.1171 0.000000       0.000000 73.67388       121.1171 ?        ?        56.66280 23.10658 0.000000       23.10658 
1 1 1 -14 31 31 o 128.4222 18.01404 543.6205       131.9499 0.000000       0.000000 543.6205       131.9499 ?        ?        128.4222 18.01404 0.000000       18.01404 
1 1 1 -14 31 32 o 43.44984 20.23700 -71.20608      125.6599 0.000000       0.000000 -71.20608      125.6599 ?        ?        43.44984 20.23700 0.000000       20.23700 
1 1 1 -14 31 33 o 182.3191 14.09249 1051.116       149.5163 0.000000       0.000000 1051.116       149.5163 ?        ?        182.3191 14.09249 0.000000       14.09249 
1 1 1 -14 31 34 o 163.2756 16.55227 870.3323       156.3125 0.000000       0.000000 870.3323       156.3125 ?        ?        163.2756 16.55227 0.000000       16.55227 
1 1 1 -14 31 35 o 91.81059 25.97301 325.3578       146.0884 0.000000       0.000000 325.3578       146.0884 ?        ?        91.81059 25.97301 0.000000       25.97301 
1 1 1 -14 32 1  o 262.5176 15.64219 2070.579       239.7357 0.000000       0.000000 2070.579       239.7357 ?        ?        262.5176 15.64219 0.000000       15.64219 
1 1 1 -14 32 2  o 192.9169 11.94649 1108.974       134.5009 1892.767       379.8463 996.6127       143.8189 245.2945 26.84169 182.4249 13.53905 62.86958       30.06297 
1 1 1 -14 32 3  o 292.3866 9.948747 2531.511       170.3505 0.000000       0.000000 2531.511       170.3505 ?        ?        292.3866 9.948747 0.000000       9.948747 
1 1 1 -14 32 4  o 45.52860 20.38749 -42.54037      112.1241 0.000000       0.000000 -42.54037      112.1241 ?        ?        45.52860 20.38749 0.000000       20.38749 
1 1 1 -14 32 5  o 105.6906 41.71273 288.9262       381.3809 288.9262       381.3809 0.000000       0.000000 105.6906 41.71273 ?        ?        0.000000       41.71273 
1 1 1 -14 32 6  o 88.50942 22.00773 248.9085       113.7558 261.3354       422.4876 247.9372       118.1180 106.2104 43.21415 88.25316 22.69464 17.95729       48.81096 
1 1 1 -14 32 7  o 289.6198 8.967851 2480.494       152.1401 2464.887       458.1036 2482.429       161.2950 278.4589 28.45064 289.5817 9.510177 -11.12280      29.99804 
1 1 1 -14 32 8  f 226.3600 9.557876 1518.352       126.5999 1805.678       487.6919 1497.591       131.0939 231.4438 37.18882 224.7006 9.972658 6.743134       38.50275 
1 1 1 -14 32 9  o 151.6570 13.31650 691.3224       117.2399 138.3398       458.6182 729.9868       121.2694 100.6153 43.21915 155.8472 13.39779 -55.23190      45.24815 
1 1 1 -14 32 10 o 160.4435 18.15529 789.3329       167.8363 0.000000       0.000000 789.3329       167.8363 ?        ?        160.4435 18.15529 0.000000       18.15529 
1 1 1 -14 32 11 o 121.2136 15.54132 448.6204       107.9428 848.8834       449.3260 424.1057       111.1993 150.6193 46.34692 117.4796 16.60159 33.13972       49.23058 
1 1 1 -14 32 12 o 114.6639 18.27858 408.7383       118.7956 0.000000       0.000000 408.7383       118.7956 ?        ?        114.6639 18.27858 0.000000       18.27858 
1 1 1 -14 32 13 o 167.6756 12.86180 845.3370       125.5145 0.000000       0.000000 845.3370       125.5145 ?        ?        167.6756 12.86180 0.000000       12.86180 
1 1 1 -14 32 14 o 160.9274 18.22476 800.5804       168.9814 0.000000       0.000000 800.5804       168.9814 ?        ?        160.9274 18.22476 0.000000       18.22476 
1 1 1 -14 32 15 o 44.92977 20.14538 -38.06408      109.8623 0.000000       0.000000 -38.06408      109.8623 ?        ?        44.92977 20.14538 0.000000       20.14538 
1 1 1 -14 32 16 o 65.10262 23.21542 121.6817       111.7970 0.000000       0.000000 121.6817       111.7970 ?        ?        65.10262 23.21542 0.000000       23.21542 
1 1 1 -14 32 17 o 112.7396 18.38160 401.5915       117.3537 0.000000       0.000000 401.5915       117.3537 ?        ?        112.7396 18.38160 0.000000       18.38160 
1 1 1 -14 32 18 o 147.9362 13.92690 668.8223       119.4097 0.000000       0.000000 668.8223       119.4097 ?        ?        147.9362 13.92690 0.000000       13.92690 
1 1 1 -14 32 19 o 50.96474 21.39773 27.54441       108.1109 0.000000       0.000000 27.54441       108.1109 ?        ?        50.96474 21.39773 0.000000       21.39773 
1 1 1 -14 32 20 o 91.99343 20.30424 277.1124       106.6078 0.000000       0.000000 277.1124       106.6078 ?        ?        91.99343 20.30424 0.000000       20.30424 
1 1 1 -14 32 21 o 78.67154 21.80013 206.0541       104.0548 0.000000       0.000000 206.0541       104.0548 ?        ?        78.67154 21.80013 0.000000       21.80013 
1 1 1 -14 32 22 o 128.2398 15.71204 514.3338       115.7038 0.000000       0.000000 514.3338       115.7038 ?        ?        128.2398 15.71204 0.000000       15.71204 
1 1 1 -14 32 23 o 163.7341 12.55492 819.1029       119.6404 0.000000       0.000000 819.1029       119.6404 ?        ?        163.7341 12.55492 0.000000       12.55492 
1 1 1 -14 32 24 o 67.91820 25.03095 142.1365       131.3897 0.000000       0.000000 142.1365       131.3897 ?        ?        67.91820 25.03095 0.000000       25.03095 
1 1 1 -14 32 25 o 64.95468 23.29108 132.7152       112.6876 0.000000       0.000000 132.7152       112.6876 ?        ?        64.95468 23.29108 0.000000       23.29108 
1 1 1 -14 32 26 o 169.5188 13.03017 886.7427       128.5511 0.000000       0.000000 886.7427       128.5511 ?        ?        169.5188 13.03017 0.000000       13.03017 
1 1 1 -14 32 27 o 44.88866 20.26332 -30.21968      113.2896 0.000000       0.000000 -30.21968      113.2896 ?        ?        44.88866 20.26332 0.000000       20.26332 
1 1 1 -14 32 28 o 105.1475 20.84918 376.4455       124.0266 0.000000       0.000000 376.4455       124.0266 ?        ?        105.1475 20.84918 0.000000       20.84918 
1 1 1 -14 32 29 o 121.8517 18.68447 492.1299       129.2723 0.000000       0.000000 492.1299       129.2723 ?        ?        121.8517 18.68447 0.000000       18.68447 
1 1 1 -14 32 30 o 177.7709 13.48701 989.3627       139.5643 0.000000       0.000000 989.3627       139.5643 ?        ?        177.7709 13.48701 0.000000       13.48701 
1 1 1 -14 32 31 o 65.29862 24.43481 140.8319       126.0988 0.000000       0.000000 140.8319       126.0988 ?        ?        65.29862 24.43481 0.000000       24.43481 
1 1 1 -14 32 32 o 89.81544 25.07479 303.0985       137.1045 0.000000       0.000000 303.0985       137.1045 ?        ?        89.81544 25.07479 0.000000       25.07479 
1 1 1 -14 32 33 f 60.16276 26.95788 35.04527       196.3801 0.000000       0.000000 35.04527       196.3801 ?        ?        60.16276 26.95788 0.000000       26.95788 
1 1 1 -14 32 34 f 165.0775 16.44817 890.5178       157.1244 0.000000       0.000000 890.5178       157.1244 ?        ?        165.0775 16.44817 0.000000       16.44817 
1 1 1 -14 33 1  f 297.7890 10.14880 2630.166       176.9860 2262.794       376.7831 2734.174       200.4801 269.1615 24.12422 303.2198 11.29335 -34.05835      26.63677 
1 1 1 -14 33 2  o 258.4994 11.65876 1990.148       176.2963 0.000000       0.000000 1990.148       176.2963 ?        ?        258.4994 11.65876 0.000000       11.65876 
1 1 1 -14 33 3  o 382.1973 10.69471 4336.522       239.4860 0.000000       0.000000 4336.522       239.4860 ?        ?        382.1973 10.69471 0.000000       10.69471 
1 1 1 -14 33 4  o 258.7633 11.12811 1992.040       168.4839 0.000000       0.000000 1992.040       168.4839 ?        ?        258.7633 11.12811 0.000000       11.12811 
1 1 1 -14 33 5  o 269.0945 9.850260 2147.756       155.1921 2354.844       420.1211 2115.033       167.0041 272.4292 26.63469 266.7632 10.69627 5.666016       28.70221 
1 1 1 -14 33 6  o 111.0738 18.26265 383.3557       114.8358 992.4766       389.4581 325.3543       120.1789 167.3081 40.19471 101.3120 20.91957 65.99609       45.31273 
1 1 1 -14 33 7  o 40.16980 18.49781 -69.85701      100.6234 -176.0104      450.0873 -64.27224      103.2363 84.51654 38.99192 41.29235 18.91175 43.22419       43.33618 
1 1 1 -14 33 8  o 40.52959 19.83620 -285.1195      157.9263 -1129.695      451.5498 -167.4132      168.5724 59.47579 29.83510 48.26176 22.78058 11.21403       37.53782 
1 1 1 -14 33 9  o 105.9172 17.72252 349.2309       106.2024 -121.7498      435.4684 379.0153       109.5090 84.85658 38.85551 110.5202 17.47532 -25.66357      42.60443 
1 1 1 -14 33 10 o 58.68062 22.49251 79.44031       108.3793 -383.5110      442.1504 109.0340       111.7897 75.53833 36.01172 63.57066 23.14332 11.96767       42.80721 
1 1 1 -14 33 11 o 232.5777 13.02765 1626.348       176.9885 1655.693       445.3646 1620.845       192.8726 218.1743 36.06560 231.6157 14.26807 -13.44138      38.78538 
1 1 1 -14 33 12 o 89.65184 21.10884 259.4752       109.1379 -7.070833      413.8374 279.3990       113.1433 86.52264 38.92180 93.04826 21.20700 -6.525620      44.32430 
1 1 1 -14 33 13 o 92.77342 20.79709 277.9308       110.3523 0.000000       0.000000 277.9308       110.3523 ?        ?        92.77342 20.79709 0.000000       20.79709 
1 1 1 -14 33 14 o 104.5221 19.26699 348.1131       113.7558 0.000000       0.000000 348.1131       113.7558 ?        ?        104.5221 19.26699 0.000000       19.26699 
1 1 1 -14 33 15 o 179.5556 12.14077 973.1007       127.0968 0.000000       0.000000 973.1007       127.0968 ?        ?        179.5556 12.14077 0.000000       12.14077 
1 1 1 -14 33 16 o 93.11249 21.03453 283.6715       112.1466 0.000000       0.000000 283.6715       112.1466 ?        ?        93.11249 21.03453 0.000000       21.03453 
1 1 1 -14 33 17 o 178.4522 12.22060 964.2138       127.1263 0.000000       0.000000 964.2138       127.1263 ?        ?        178.4522 12.22060 0.000000       12.22060 
1 1 1 -14 33 18 o 85.50033 22.57741 244.4008       114.8667 0.000000       0.000000 244.4008       114.8667 ?        ?        85.50033 22.57741 0.000000       22.57741 
1 1 1 -14 33 19 o 47.69101 20.88491 -5.860640      111.4058 0.000000       0.000000 -5.860640      111.4058 ?        ?        47.69101 20.88491 0.000000       20.88491 
1 1 1 -14 33 20 o 47.34679 20.80083 -8.186992      111.3114 0.000000       0.000000 -8.186992      111.3114 ?        ?        47.34679 20.80083 0.000000       20.80083 
1 1 1 -14 33 21 o 194.1945 11.98153 1146.136       135.7937 0.000000       0.000000 1146.136       135.7937 ?        ?        194.1945 11.98153 0.000000       11.98153 
1 1 1 -14 33 22 o 43.28667 19.55387 -35.69035      105.7116 0.000000       0.000000 -35.69035      105.7116 ?        ?        43.28667 19.55387 0.000000       19.55387 
1 1 1 -14 33 23 o 143.2466 14.53714 640.2858       120.4382 0.000000       0.000000 640.2858       120.4382 ?        ?        143.2466 14.53714 0.000000       14.53714 
1 1 1 -14 33 24 o 75.70289 22.79061 197.1173       109.4496 0.000000       0.000000 197.1173       109.4496 ?        ?        75.70289 22.79061 0.000000       22.79061 
1 1 1 -14 33 25 o 192.4415 13.48487 1147.083       151.2302 0.000000       0.000000 1147.083       151.2302 ?        ?        192.4415 13.48487 0.000000       13.48487 
1 1 1 -14 33 26 o 117.1087 18.74316 451.7717       124.3914 0.000000       0.000000 451.7717       124.3914 ?        ?        117.1087 18.74316 0.000000       18.74316 
1 1 1 -14 33 27 o 71.35137 31.66462 90.53252       264.2278 0.000000       0.000000 90.53252       264.2278 ?        ?        71.35137 31.66462 0.000000       31.66462 
1 1 1 -14 33 28 o 60.20762 23.88664 99.75688       125.6693 0.000000       0.000000 99.75688       125.6693 ?        ?        60.20762 23.88664 0.000000       23.88664 
1 1 1 -14 33 29 o 66.00143 24.51354 144.7393       126.4479 0.000000       0.000000 144.7393       126.4479 ?        ?        66.00143 24.51354 0.000000       24.51354 
1 1 1 -14 33 30 o 83.56817 25.35346 261.4915       135.0796 0.000000       0.000000 261.4915       135.0796 ?        ?        83.56817 25.35346 0.000000       25.35346 
1 1 1 -14 33 31 o 54.04422 23.53014 35.09212       139.6484 0.000000       0.000000 35.09212       139.6484 ?        ?        54.04422 23.53014 0.000000       23.53014 
1 1 1 -14 33 32 o 116.0551 22.67922 482.3163       148.8263 0.000000       0.000000 482.3163       148.8263 ?        ?        116.0551 22.67922 0.000000       22.67922 
1 1 1 -14 33 33 o 168.4579 16.34987 926.7989       159.5020 0.000000       0.000000 926.7989       159.5020 ?        ?        168.4579 16.34987 0.000000       16.34987 
1 1 1 -14 34 1  o 208.4291 11.95908 1299.941       145.5727 1323.323       382.6453 1295.984       157.4088 197.1027 34.34985 207.7406 12.98477 -10.63785      36.72215 
1 1 1 -14 34 2  o 48.08875 21.31520 -28.44994      119.3725 0.000000       0.000000 -28.44994      119.3725 ?        ?        48.08875 21.31520 0.000000       21.31520 
1 1 1 -14 34 3  o 223.0413 11.35690 1485.595       148.0689 772.7122       382.4143 1611.319       160.5957 144.2079 42.40346 232.1320 11.83543 -87.92410      44.02420 
1 1 1 -14 34 4  o 50.40041 22.48660 -38.13882      135.0809 579.0501       357.9412 -140.6348      145.8667 126.0522 41.65781 45.21029 21.29442 80.84187       46.78489 
1 1 1 -14 34 5  o 99.55481 19.83819 314.6521       111.7598 -276.1727      343.8661 384.4328       118.1755 68.61712 32.43315 110.6536 18.88744 -42.03647      37.53191 
1 1 1 -14 34 6  o 160.3593 12.80286 774.9340       119.4078 794.9808       350.6850 772.3049       126.9965 147.1807 39.71513 159.7820 13.68393 -12.60124      42.00644 
1 1 1 -14 34 7  o 124.4899 15.31572 475.3036       109.4664 597.3414       379.2090 464.2097       114.3338 126.2013 42.89299 122.6603 16.29633 3.540955       45.88441 
1 1 1 -14 34 8  o 77.47717 22.22186 193.6293       106.2120 -183.3232      389.9854 223.8293       110.3847 76.57986 35.66196 83.01788 22.22971 -6.438019      42.02303 
1 1 1 -14 34 9  o 51.44550 21.30716 32.41549       105.0776 -243.6909      417.2032 51.11642       108.5778 76.60307 36.05980 54.47048 22.00010 22.13259       42.24113 
1 1 1 -14 34 10 o 60.27753 22.47908 94.80117       106.5382 -163.5317      407.8623 113.7183       110.3700 78.40341 36.49737 63.64912 23.02103 14.75429       43.15120 
1 1 1 -14 34 11 o 123.8212 15.39253 473.1213       109.3716 -142.1096      412.4269 519.6609       113.4329 79.18257 36.80616 129.9330 15.17086 -50.75040      39.81016 
1 1 1 -14 34 12 o 135.0132 20.47823 582.5695       157.0690 69.57243       411.6378 669.9878       169.9256 87.91986 39.23828 144.8955 20.57420 -56.97560      44.30508 
1 1 1 -14 34 13 o 160.5970 11.98609 779.6254       112.0784 563.0906       418.9562 796.3164       116.3179 118.1540 44.47022 162.1795 12.32146 -44.02557      46.14563 
1 1 1 -14 34 14 o 167.1447 12.33958 846.5642       120.1076 0.000000       0.000000 846.5642       120.1076 ?        ?        167.1447 12.33958 0.000000       12.33958 
1 1 1 -14 34 15 o 120.5105 16.40946 454.8563       112.9665 0.000000       0.000000 454.8563       112.9665 ?        ?        120.5105 16.40946 0.000000       16.40946 
1 1 1 -14 34 16 o 98.40781 20.04304 315.9464       111.7423 0.000000       0.000000 315.9464       111.7423 ?        ?        98.40781 20.04304 0.000000       20.04304 
1 1 1 -14 34 17 o 57.60700 22.26215 82.03966       106.7828 0.000000       0.000000 82.03966       106.7828 ?        ?        57.60700 22.26215 0.000000       22.26215 
1 1 1 -14 34 18 o 31.30714 15.39168 -188.4639      98.47736 0.000000       0.000000 -188.4639      98.47736 ?        ?        31.30714 15.39168 0.000000       15.39168 
1 1 1 -14 34 19 o 131.6490 14.97966 540.1549       113.6019 0.000000       0.000000 540.1549       113.6019 ?        ?        131.6490 14.97966 0.000000       14.97966 
1 1 1 -14 34 20 o 45.20960 20.31074 -29.74618      112.2808 0.000000       0.000000 -29.74618      112.2808 ?        ?        45.20960 20.31074 0.000000       20.31074 
1 1 1 -14 34 21 o 44.10886 19.92319 -34.38316      109.7090 0.000000       0.000000 -34.38316      109.7090 ?        ?        44.10886 19.92319 0.000000       19.92319 
1 1 1 -14 34 22 o 113.4284 18.31051 418.8833       117.6599 0.000000       0.000000 418.8833       117.6599 ?        ?        113.4284 18.31051 0.000000       18.31051 
1 1 1 -14 34 23 o 43.92859 20.12513 -51.74049      117.0250 0.000000       0.000000 -51.74049      117.0250 ?        ?        43.92859 20.12513 0.000000       20.12513 
1 1 1 -14 34 24 o 200.7785 11.86600 1234.917       139.1013 0.000000       0.000000 1234.917       139.1013 ?        ?        200.7785 11.86600 0.000000       11.86600 
1 1 1 -14 34 25 f 172.0494 13.67390 923.2285       136.8395 0.000000       0.000000 923.2285       136.8395 ?        ?        172.0494 13.67390 0.000000       13.67390 
1 1 1 -14 34 26 f 115.4621 19.42433 446.4273       126.8686 0.000000       0.000000 446.4273       126.8686 ?        ?        115.4621 19.42433 0.000000       19.42433 
1 1 1 -14 34 27 o 81.33355 24.45661 241.8163       126.0909 0.000000       0.000000 241.8163       126.0909 ?        ?        81.33355 24.45661 0.000000       24.45661 
1 1 1 -14 34 28 o 53.44780 23.14029 33.34326       133.5070 0.000000       0.000000 33.34326       133.5070 ?        ?        53.44780 23.14029 0.000000       23.14029 
1 1 1 -14 34 29 o 148.4046 20.14750 749.0394       170.8308 0.000000       0.000000 749.0394       170.8308 ?        ?        148.4046 20.14750 0.000000       20.14750 
1 1 1 -14 34 30 o 68.27325 26.16987 161.1783       146.7165 0.000000       0.000000 161.1783       146.7165 ?        ?        68.27325 26.16987 0.000000       26.16987 
1 1 1 -14 34 31 o 110.7504 24.00817 450.2344       151.4330 0.000000       0.000000 450.2344       151.4330 ?        ?        110.7504 24.00817 0.000000       24.00817 
1 1 1 -14 34 32 o 50.12007 22.91128 -26.25550      150.5705 0.000000       0.000000 -26.25550      150.5705 ?        ?        50.12007 22.91128 0.000000       22.91128 
1 1 1 -14 35 1  o 201.9887 12.80387 1230.590       150.8961 0.000000       0.000000 1230.590       150.8961 ?        ?        201.9887 12.80387 0.000000       12.80387 
1 1 1 -14 35 2  o 251.8549 11.27333 1899.583       166.0930 0.000000       0.000000 1899.583       166.0930 ?        ?        251.8549 11.27333 0.000000       11.27333 
1 1 1 -14 35 3  o 365.9789 9.352266 3983.021       200.5707 4788.528       444.9536 3777.612       224.6935 392.5043 19.38948 355.5947 10.78666 36.90955       22.18793 
1 1 1 -14 35 4  o 130.6673 17.69324 533.0974       132.1084 0.000000       0.000000 533.0974       132.1084 ?        ?        130.6673 17.69324 0.000000       17.69324 
1 1 1 -14 35 5  o 224.3965 10.69612 1506.755       140.3592 1171.252       390.9066 1556.411       150.3880 177.7970 38.59784 227.8128 11.29120 -50.01585      40.21547 
1 1 1 -14 35 6  o 58.89863 22.41300 86.04104       107.1097 42.25896       375.4002 89.92113       111.7552 84.32455 37.56303 60.07899 22.88631 24.24556       43.98596 
1 1 1 -14 35 7  o 98.73979 19.70320 313.4374       110.0977 428.2246       360.0931 301.6003       115.6352 108.5775 41.14714 96.27624 21.06634 12.30124       46.22637 
1 1 1 -14 35 8  o 56.96461 22.09294 75.27345       105.4476 -608.9229      382.5192 131.5427       109.6980 61.15049 30.11667 66.14462 23.04674 -4.994129      37.92316 
1 1 1 -14 35 9  o 52.87980 21.64684 44.13020       106.8007 -397.2354      385.6881 80.78419       111.1470 67.09319 32.40927 58.48065 22.68180 8.612534       39.55787 
1 1 1 -14 35 10 o 126.1467 15.84390 494.4808       114.6373 -27.38115      379.0913 547.0061       120.2681 80.08778 36.51218 132.8032 15.74772 -52.71545      39.76342 
1 1 1 -14 35 11 o 169.8297 12.06193 872.9419       119.3564 181.6257       389.0775 944.7574       125.4027 91.09119 39.47057 176.6556 12.17853 -85.56440      41.30669 
1 1 1 -14 35 12 o 123.4705 16.06471 476.0593       113.5730 22.31172       400.4714 515.7452       118.4355 83.27088 37.79277 128.5862 16.05373 -45.31536      41.06112 
1 1 1 -14 35 13 o 81.08562 22.21048 219.1927       108.7154 -601.8781      403.0170 283.6285       112.9007 62.45557 30.78889 92.61967 21.23834 -30.16410      37.40351 
1 1 1 -14 35 14 o 70.15974 22.77934 159.5400       107.2371 0.000000       0.000000 159.5400       107.2371 ?        ?        70.15974 22.77934 0.000000       22.77934 
1 1 1 -14 35 15 o 85.47508 21.19093 243.1587       105.6966 453.3107       435.9797 230.0358       108.9467 106.6173 43.70086 82.85165 22.03912 23.76563       48.94372 
1 1 1 -14 35 16 o 41.43797 19.15166 -68.73497      109.2869 0.000000       0.000000 -68.73497      109.2869 ?        ?        41.43797 19.15166 0.000000       19.15166 
1 1 1 -14 35 17 o 66.33888 22.98830 139.2888       109.0692 0.000000       0.000000 139.2888       109.0692 ?        ?        66.33888 22.98830 0.000000       22.98830 
1 1 1 -14 35 18 o 138.0102 15.40676 597.1568       122.5773 0.000000       0.000000 597.1568       122.5773 ?        ?        138.0102 15.40676 0.000000       15.40676 
1 1 1 -14 35 19 o 40.50311 18.94057 -84.64322      111.8824 0.000000       0.000000 -84.64322      111.8824 ?        ?        40.50311 18.94057 0.000000       18.94057 
1 1 1 -14 35 20 f 69.52431 23.99729 160.2132       118.8058 0.000000       0.000000 160.2132       118.8058 ?        ?        69.52431 23.99729 0.000000       23.99729 
1 1 1 -14 35 21 o 38.41571 18.30659 -120.2929      114.0197 0.000000       0.000000 -120.2929      114.0197 ?        ?        38.41571 18.30659 0.000000       18.30659 
1 1 1 -14 35 22 o 70.42523 24.09875 168.4329       119.7350 0.000000       0.000000 168.4329       119.7350 ?        ?        70.42523 24.09875 0.000000       24.09875 
1 1 1 -14 35 23 o 56.17719 22.99432 68.49153       120.4955 0.000000       0.000000 68.49153       120.4955 ?        ?        56.17719 22.99432 0.000000       22.99432 
1 1 1 -14 35 24 o 76.10113 24.79399 207.5205       126.9853 0.000000       0.000000 207.5205       126.9853 ?        ?        76.10113 24.79399 0.000000       24.79399 
1 1 1 -14 35 25 o 179.3539 13.70014 1007.391       143.0168 0.000000       0.000000 1007.391       143.0168 ?        ?        179.3539 13.70014 0.000000       13.70014 
1 1 1 -14 35 26 o 101.3932 22.86470 365.8858       132.7104 0.000000       0.000000 365.8858       132.7104 ?        ?        101.3932 22.86470 0.000000       22.86470 
1 1 1 -14 35 27 o 70.23493 25.32776 174.2378       133.4740 0.000000       0.000000 174.2378       133.4740 ?        ?        70.23493 25.32776 0.000000       25.32776 
1 1 1 -14 35 28 o 60.63151 24.92076 96.91000       142.2804 0.000000       0.000000 96.91000       142.2804 ?        ?        60.63151 24.92076 0.000000       24.92076 
1 1 1 -14 35 29 o 78.26194 27.82423 238.4794       160.4777 0.000000       0.000000 238.4794       160.4777 ?        ?        78.26194 27.82423 0.000000       27.82423 
1 1 1 -14 35 30 o 74.72791 28.01742 212.8689       165.9531 0.000000       0.000000 212.8689       165.9531 ?        ?        74.72791 28.01742 0.000000       28.01742 
1 1 1 -14 36 1  o 181.4772 13.06533 999.9824       138.1263 1217.617       352.1358 960.4075       150.1606 184.3074 33.82351 177.0906 14.58729 7.216782       36.83502 
1 1 1 -14 36 2  o 170.1829 14.86568 888.9625       146.8838 0.000000       0.000000 888.9625       146.8838 ?        ?        170.1829 14.86568 0.000000       14.86568 
1 1 1 -14 36 3  o 198.0396 21.00167 1252.442       240.2112 0.000000       0.000000 1252.442       240.2112 ?        ?        198.0396 21.00167 0.000000       21.00167 
1 1 1 -14 36 4  o 212.8289 11.20650 1362.369       139.3856 2389.428       377.3103 1200.055       149.9958 270.7465 24.01084 198.8852 12.92965 71.86131       27.27079 
1 1 1 -14 36 5  o 229.4980 10.99306 1582.563       147.5311 1867.203       381.4154 1532.484       159.9835 234.5185 28.30302 225.2272 12.15672 9.291245       30.80335 
1 1 1 -14 36 6  o 192.8536 11.92422 1123.870       134.2082 1977.892       388.8013 1008.346       142.9975 241.5516 27.96102 181.8754 13.50246 59.67616       31.05052 
1 1 1 -14 36 7  f 98.95296 21.19578 321.6129       119.3019 949.7579       403.8644 261.5596       124.8746 150.8143 43.35611 88.19935 23.65555 62.61494       49.38964 
1 1 1 -14 36 8  o 70.43521 23.17452 159.2568       110.8170 549.7108       406.6543 127.9352       115.1761 115.2195 43.71216 65.59327 23.54361 49.62624       49.64931 
1 1 1 -14 36 9  o 123.3569 16.64668 477.9681       117.3610 287.0517       397.9537 496.1543       122.8236 96.69008 40.84982 125.4746 17.13819 -28.78452      44.29927 
1 1 1 -14 36 10 o 123.7745 16.32657 480.4985       115.6286 -94.32015      398.7253 533.2779       120.8205 77.54937 36.09523 130.5869 16.11743 -53.03754      39.53021 
1 1 1 -14 36 11 o 181.4195 17.32317 1033.262       182.0801 416.1898       384.8792 1211.190       206.6703 104.1458 41.64266 195.8731 18.19907 -91.72728      45.44576 
1 1 1 -14 36 12 o 45.83979 20.39356 -21.53841      110.2895 -577.9878      401.6323 23.84386       114.6988 62.43850 30.77195 51.38037 21.82862 11.05813       37.72800 
1 1 1 -14 36 13 o 109.7185 18.94457 389.4653       117.4978 -528.7014      403.1713 474.6868       122.8298 63.51154 31.20828 122.0507 17.67360 -58.53914      35.86521 
1 1 1 -14 36 14 o 112.2897 18.14773 405.6184       115.4378 -523.2775      411.1340 485.1171       120.2763 64.05788 31.48436 123.5951 17.04660 -59.53721      35.80296 
1 1 1 -14 36 15 o 103.2590 19.95876 351.4495       116.4946 -356.7780      440.9484 404.5906       120.7860 70.42122 34.16825 111.4140 19.17695 -40.99280      39.18195 
1 1 1 -14 36 16 o 150.2205 14.08069 700.2942       122.6060 832.5945       449.0813 689.6387       127.4478 128.0578 46.42004 148.6323 14.81795 -20.57455      48.72773 
1 1 1 -14 36 17 o 75.34406 22.85002 194.3351       109.7344 347.9586       453.8753 184.7978       113.0894 96.04617 42.10516 73.62418 23.34286 22.42200       48.14285 
1 1 1 -14 36 18 o 70.13474 23.25187 165.3412       111.4896 0.000000       0.000000 165.3412       111.4896 ?        ?        70.13474 23.25187 0.000000       23.25187 
1 1 1 -14 36 19 o 54.58262 22.51840 56.37176       116.7426 0.000000       0.000000 56.37176       116.7426 ?        ?        54.58262 22.51840 0.000000       22.51840 
1 1 1 -14 36 20 o 76.42629 24.05067 204.9448       120.2575 0.000000       0.000000 204.9448       120.2575 ?        ?        76.42629 24.05067 0.000000       24.05067 
1 1 1 -14 36 21 o 116.7504 19.06213 451.7565       126.0214 0.000000       0.000000 451.7565       126.0214 ?        ?        116.7504 19.06213 0.000000       19.06213 
1 1 1 -14 36 22 o 75.21873 25.08761 201.9816       129.7454 0.000000       0.000000 201.9816       129.7454 ?        ?        75.21873 25.08761 0.000000       25.08761 
1 1 1 -14 36 23 o 72.91063 25.16365 188.7923       130.6342 0.000000       0.000000 188.7923       130.6342 ?        ?        72.91063 25.16365 0.000000       25.16365 
1 1 1 -14 36 24 o 87.17001 24.10543 277.3660       127.3704 0.000000       0.000000 277.3660       127.3704 ?        ?        87.17001 24.10543 0.000000       24.10543 
1 1 1 -14 36 25 o 73.51010 25.35562 196.0322       132.6278 0.000000       0.000000 196.0322       132.6278 ?        ?        73.51010 25.35562 0.000000       25.35562 
1 1 1 -14 36 26 o 90.71497 25.26973 309.3537       139.4115 0.000000       0.000000 309.3537       139.4115 ?        ?        90.71497 25.26973 0.000000       25.26973 
1 1 1 -14 36 27 o 76.62545 26.49211 223.1883       144.8159 0.000000       0.000000 223.1883       144.8159 ?        ?        76.62545 26.49211 0.000000       26.49211 
1 1 1 -14 36 28 o 116.5407 22.99810 488.7690       151.6044 0.000000       0.000000 488.7690       151.6044 ?        ?        116.5407 22.99810 0.000000       22.99810 
1 1 1 -14 36 29 o 111.0321 24.81426 460.9765       157.5137 0.000000       0.000000 460.9765       157.5137 ?        ?        111.0321 24.81426 0.000000       24.81426 
1 1 1 -14 37 1  o 47.66021 21.39790 -34.46751      124.3997 387.9466       333.1698 -102.8983      134.0980 102.1150 39.36013 44.40749 20.75644 57.70750       44.49775 
1 1 1 -14 37 2  o 136.5682 16.46490 583.7484       129.2162 538.7516       349.4331 590.8761       139.0744 114.8711 41.03448 136.7256 17.76343 -21.85451      44.71429 
1 1 1 -14 37 3  o 135.6713 16.37642 575.9748       127.6710 1276.119       350.3589 468.7686       137.0975 187.5907 33.05285 120.3202 20.13973 67.27049       38.70529 
1 1 1 -14 37 4  o 156.7580 14.50723 757.2241       131.8593 1483.777       354.0715 640.2347       142.0792 205.4167 30.29897 142.5687 17.34921 62.84805       34.91450 
1 1 1 -14 37 5  o 147.7163 15.26114 676.7219       130.3091 851.1057       346.0860 647.9160       140.6606 145.3165 39.55650 143.5663 17.03770 1.750122       43.06971 
1 1 1 -14 37 6  o 99.28954 22.47855 329.9846       127.8379 201.1727       378.9558 346.5258       135.7981 90.11476 39.00078 101.3649 23.32760 -11.25013      45.44489 
1 1 1 -14 37 7  o 224.2055 11.14388 1516.624       146.0729 1391.150       413.5769 1534.507       156.1359 188.3787 38.72929 225.1045 11.86876 -36.72580      40.50711 
1 1 1 -14 37 8  o 99.81830 21.16532 330.1928       120.0555 251.1481       410.5664 337.5835       125.5427 93.69749 40.57303 100.5742 21.90569 -6.876663      46.10889 
1 1 1 -14 37 9  o 52.51600 21.77040 41.73362       109.8353 -638.4343      396.4673 98.27490       114.3094 60.28722 29.86854 60.63558 23.13477 -0.3483543     37.78025 
1 1 1 -14 37 10 o 68.30444 23.66642 148.7337       115.5972 711.5264       399.5835 97.33098       120.7609 124.8008 43.94880 61.12497 23.66018 63.67580       49.91294 
1 1 1 -14 37 11 o 114.1998 18.30269 420.4918       118.4442 71.19849       380.3949 457.9924       124.6403 81.63885 36.96484 119.2060 18.42156 -37.56718      41.30077 
1 1 1 -14 37 12 o 183.7079 12.08068 1029.129       129.4353 1349.562       380.5067 987.1994       137.6436 185.6073 36.25648 179.2587 13.18483 6.348602       38.57942 
1 1 1 -14 37 13 o 65.43156 23.68302 132.8742       116.8362 285.2004       373.9136 116.3923       122.9947 91.60035 39.17889 63.51712 24.05306 28.08323       45.97320 
1 1 1 -14 37 14 o 60.77050 23.09929 104.0473       113.6903 -264.7326      397.4571 136.9103       118.6479 68.75920 33.13575 66.02821 23.87046 2.730995       40.83843 
1 1 1 -14 37 15 o 78.26270 23.50905 212.2773       116.5536 -66.39801      436.9362 233.6260       120.9357 77.67047 36.66630 81.81713 23.78697 -4.146660      43.70626 
1 1 1 -14 37 16 o 98.20065 21.00669 326.2405       117.3231 312.7700       457.2292 327.1899       121.3873 93.33984 41.52472 97.92425 21.70677 -4.584404      46.85602 
1 1 1 -14 37 17 o 63.44253 23.67852 122.4943       118.2580 0.000000       0.000000 122.4943       118.2580 ?        ?        63.44253 23.67852 0.000000       23.67852 
1 1 1 -14 37 18 o 57.41312 23.31042 75.06297       122.6256 -92.58079      470.0230 87.30706       127.0248 77.17519 36.88477 59.41881 23.86690 17.75638       43.93307 
1 1 1 -14 37 19 o 48.34771 21.54072 -10.64887      123.5078 0.000000       0.000000 -10.64887      123.5078 ?        ?        48.34771 21.54072 0.000000       21.54072 
1 1 1 -14 37 20 o 49.02408 21.74997 -3.642353      124.5781 0.000000       0.000000 -3.642353      124.5781 ?        ?        49.02408 21.74997 0.000000       21.74997 
1 1 1 -14 37 21 o 112.8633 21.11071 437.1739       134.5998 0.000000       0.000000 437.1739       134.5998 ?        ?        112.8633 21.11071 0.000000       21.11071 
1 1 1 -14 37 22 o 68.19566 25.34065 157.3266       135.1552 0.000000       0.000000 157.3266       135.1552 ?        ?        68.19566 25.34065 0.000000       25.34065 
1 1 1 -14 37 23 o 144.5604 17.74848 687.3591       147.3198 0.000000       0.000000 687.3591       147.3198 ?        ?        144.5604 17.74848 0.000000       17.74848 
1 1 1 -14 37 24 o 79.24281 25.74048 235.8580       136.9202 0.000000       0.000000 235.8580       136.9202 ?        ?        79.24281 25.74048 0.000000       25.74048 
1 1 1 -14 37 25 f 109.0416 23.04436 427.9695       142.7492 0.000000       0.000000 427.9695       142.7492 ?        ?        109.0416 23.04436 0.000000       23.04436 
1 1 1 -14 37 26 o 90.23000 26.50829 316.3789       149.5053 0.000000       0.000000 316.3789       149.5053 ?        ?        90.23000 26.50829 0.000000       26.50829 
1 1 1 -14 37 27 o 62.31508 25.62691 109.7506       150.5660 0.000000       0.000000 109.7506       150.5660 ?        ?        62.31508 25.62691 0.000000       25.62691 
1 1 1 -14 38 1  o 83.28016 25.50716 239.3664       136.2930 0.000000       0.000000 239.3664       136.2930 ?        ?        83.28016 25.50716 0.000000       25.50716 
1 1 1 -14 38 2  o 163.0712 21.58609 872.5582       201.3783 766.5132       346.8382 926.4869       247.3387 134.3105 40.60050 163.7956 26.66407 -29.48511      48.57338 
1 1 1 -14 38 3  o 50.13480 22.48976 -29.18892      137.0970 0.000000       0.000000 -29.18892      137.0970 ?        ?        50.13480 22.48976 0.000000       22.48976 
1 1 1 -14 38 4  o 117.0145 19.20251 444.2340       127.2126 743.3063       372.9866 404.8647       135.3269 129.2320 42.51599 110.1762 21.71575 19.05577       47.74080 
1 1 1 -14 38 5  o 128.2354 17.82846 525.7975       130.4613 1023.498       390.5947 463.3016       138.4101 153.8481 42.08249 118.6315 20.64314 35.21658       46.87297 
1 1 1 -14 38 6  o 68.13239 24.65146 144.6711       126.5718 454.9711       391.3850 108.4283       133.7594 104.1283 41.87031 63.77811 24.84140 40.35016       48.68489 
1 1 1 -14 38 7  f 79.35506 24.85455 217.0720       128.5811 165.0060       401.0088 223.0384       135.7487 86.80351 38.73500 80.24157 25.59030 6.561943       46.42482 
1 1 1 -14 38 8  o 45.28510 20.55851 -42.60524      118.6062 133.1717       426.7430 -57.32016      123.4709 86.07758 39.04525 45.06133 20.65448 41.01625       44.17170 
1 1 1 -14 38 9  o 78.32035 23.91091 211.5467       119.8928 -325.4003      417.7160 259.7518       125.1590 68.86460 33.37598 86.40138 23.89616 -17.53678      41.04854 
1 1 1 -14 38 10 o 171.4234 13.48163 907.4277       134.4487 279.5860       411.1673 982.5965       142.2697 91.87194 40.18026 178.2644 13.71341 -86.39248      42.45599 
1 1 1 -14 38 11 o 83.44503 24.22500 243.8817       125.5130 62.26485       416.6911 262.0039       131.6262 81.58726 37.59626 86.18808 24.74358 -4.600822      45.00804 
1 1 1 -14 38 12 o 114.9784 20.08591 438.4125       130.5168 61.75817       415.5142 479.6429       137.4748 81.21754 37.46796 120.2911 20.20216 -39.07355      42.56731 
1 1 1 -14 38 13 o 165.9469 13.64633 854.1833       131.6390 360.6017       410.9908 910.6085       138.9598 94.98030 40.85761 171.1525 13.96508 -76.17224      43.17833 
1 1 1 -14 38 14 o 82.68309 23.57310 240.3696       119.8712 -351.5724      406.6366 296.7045       125.4456 66.08919 32.23397 92.05897 23.23656 -25.96978      39.73621 
1 1 1 -14 38 15 o 72.06639 23.21332 178.8530       111.4980 352.9186       410.3908 164.9805       115.8559 93.35017 40.49292 69.77434 23.70869 23.57584       46.92311 
1 1 1 -14 38 16 o 80.42193 23.43817 228.9369       117.2878 350.7672       416.7148 218.4554       122.2291 92.34952 40.41829 78.39118 24.18193 13.95834       47.09994 
1 1 1 -14 38 17 o 84.67484 24.11323 257.6691       125.4986 9.089838       433.9412 280.3581       131.1009 77.57037 36.59513 88.08844 24.49264 -10.51807      44.03513 
1 1 1 -14 38 18 o 99.51666 22.71249 348.6029       129.6278 360.5947       451.0329 347.5232       135.3377 91.62305 40.96928 98.63626 23.69310 -7.013206      47.32700 
1 1 1 -14 38 19 o 76.88878 25.28475 215.2871       131.9239 305.5745       457.9900 207.1179       137.7629 88.30911 40.21078 75.54544 25.84943 12.76367       47.80272 
1 1 1 -14 38 20 o 72.76990 25.35710 189.7513       132.7954 84.42278       466.6660 199.0318       138.5223 79.69551 37.70346 74.14153 25.89396 5.553978       45.73891 
1 1 1 -14 38 21 o 67.37612 25.83520 149.7605       143.0223 0.000000       0.000000 149.7605       143.0223 ?        ?        67.37612 25.83520 0.000000       25.83520 
1 1 1 -14 38 22 o 80.72339 27.00680 249.4666       150.3376 0.000000       0.000000 249.4666       150.3376 ?        ?        80.72339 27.00680 0.000000       27.00680 
1 1 1 -14 38 23 o 66.54912 25.94706 146.4122       146.0497 0.000000       0.000000 146.4122       146.0497 ?        ?        66.54912 25.94706 0.000000       25.94706 
1 1 1 -14 38 24 o 120.1668 23.61294 523.0134       160.4745 0.000000       0.000000 523.0134       160.4745 ?        ?        120.1668 23.61294 0.000000       23.61294 
1 1 1 -14 38 25 o 98.61555 27.78145 386.4420       167.5007 0.000000       0.000000 386.4420       167.5007 ?        ?        98.61555 27.78145 0.000000       27.78145 
1 1 1 -14 38 26 o 60.18631 25.41786 88.68649       153.9776 0.000000       0.000000 88.68649       153.9776 ?        ?        60.18631 25.41786 0.000000       25.41786 
1 1 1 -14 39 1  o 95.03133 24.89558 317.8942       140.3857 -55.02214      329.7781 400.4306       155.1454 71.15440 33.01888 106.7124 25.19602 -35.55801      41.53415 
1 1 1 -14 39 2  o 46.69669 21.90104 -108.5226      151.4469 30.19612       303.9593 -154.3316      174.6722 73.16434 33.09364 48.07001 22.83636 25.09433       40.20807 
1 1 1 -14 39 3  f 95.27381 23.71604 315.4137       131.9939 536.5401       317.0934 269.0677       145.1687 110.9392 39.14331 86.84467 26.26974 24.09453       47.14126 
1 1 1 -14 39 4  o 122.0682 19.50433 488.5962       134.9343 852.8059       351.1692 425.5089       146.1543 139.0561 40.56442 111.4358 23.12170 27.62033       46.69138 
1 1 1 -14 39 5  o 178.5144 14.17438 989.1954       147.1805 1261.474       377.7297 940.4576       159.8111 175.6615 37.78739 172.7824 15.95089 2.879059       41.01607 
1 1 1 -14 39 6  o 118.8599 21.00698 471.9193       141.0819 821.7094       389.0508 418.9568       151.3864 131.1234 43.43412 109.7023 24.18218 21.42108       49.71217 
1 1 1 -14 39 7  o 73.02081 25.57793 179.6058       135.2224 474.9628       392.8424 139.9070       144.0235 102.8095 41.72954 68.03539 25.96570 34.77415       49.14847 
1 1 1 -14 39 8  o 61.69033 24.32864 100.3130       129.6463 218.5151       415.7271 87.57903       136.4511 87.97678 39.33640 60.87671 24.63573 27.10007       46.41413 
1 1 1 -14 39 9  o 141.8605 16.96082 644.2447       138.3174 399.5656       430.4625 672.4161       146.0632 97.19920 41.81322 144.5124 17.59628 -47.31319      45.36491 
1 1 1 -14 39 10 o 76.24924 25.20666 203.5750       131.0506 -409.6647      459.7405 257.8111       136.7231 68.56536 33.61714 84.75542 25.46263 -16.19006      42.17176 
1 1 1 -14 39 11 o 137.6627 17.08928 609.4296       135.0107 534.5917       450.8758 616.8008       141.5036 103.7119 43.63025 137.9205 17.91703 -34.20861      47.16586 
1 1 1 -14 39 12 o 49.96200 22.14770 -4.446863      128.9106 350.5194       427.5038 -39.95162      135.2040 92.99119 40.81186 48.07344 21.87350 44.91775       46.30398 
1 1 1 -14 39 13 o 114.1444 21.10322 442.8180       136.0689 -291.4660      402.2567 537.6924       144.5925 66.61954 32.39523 126.7704 20.11939 -60.15086      38.13451 
1 1 1 -14 39 14 f 135.5796 16.55767 591.7833       128.9287 480.7855       397.4550 604.8367       136.2991 99.15010 41.28395 136.4486 17.42971 -37.29846      44.81249 
1 1 1 -14 39 15 o 138.8804 15.95228 617.8519       127.5750 793.5961       399.1896 597.8605       134.6357 121.1844 43.78802 135.5984 17.32513 -14.41405      47.09088 
1 1 1 -14 39 16 o 96.27962 22.51642 327.1104       124.8592 -75.05843      407.1696 368.8538       131.1792 72.41235 34.53158 102.4650 22.45103 -30.05270      41.18834 
1 1 1 -14 39 17 o 103.2488 22.51945 376.0795       132.5135 592.9180       430.5774 353.3929       139.2732 102.6814 42.87856 98.65073 24.24703 4.030685       49.25941 
1 1 1 -14 39 18 o 67.00364 25.14160 149.4370       133.6902 542.3763       434.3049 108.3060       140.5131 99.07071 42.29525 62.28946 25.07347 36.78125       49.16876 
1 1 1 -14 39 19 o 63.75162 24.99958 124.3751       136.2221 33.14211       438.5980 134.1153       143.3094 76.41827 36.26981 65.41252 25.64441 11.00574       44.41998 
1 1 1 -14 39 20 o 69.52828 26.26503 168.2337       146.4477 0.000000       0.000000 168.2337       146.4477 ?        ?        69.52828 26.26503 0.000000       26.26503 
1 1 1 -14 39 21 o 57.07500 24.56195 56.25844       148.6450 -460.0091      461.0865 116.1366       157.0287 63.87677 31.74345 63.78608 26.19496 0.9069061E-01  41.15607 
1 1 1 -14 39 22 o 54.97801 24.74412 5.567430       167.4977 0.000000       0.000000 5.567430       167.4977 ?        ?        54.97801 24.74412 0.000000       24.74412 
1 1 1 -14 39 23 o 93.30405 29.03620 356.1567       175.7849 0.000000       0.000000 356.1567       175.7849 ?        ?        93.30405 29.03620 0.000000       29.03620 
1 1 1 -14 39 24 o 65.10666 27.89491 112.0984       190.1418 0.000000       0.000000 112.0984       190.1418 ?        ?        65.10666 27.89491 0.000000       27.89491 
1 1 1 -14 40 1  o 94.41702 32.33845 349.7852       215.6224 645.8579       341.4364 153.3786       278.0921 117.7484 40.67983 77.79739 33.53870 39.95103       52.72279 
1 1 1 -14 40 2  o 190.0190 19.39084 1179.379       213.0692 1570.008       324.8244 884.3655       282.2847 210.0727 26.98775 150.7069 32.86577 59.36583       42.52643 
1 1 1 -14 40 3  o 138.7511 17.45140 620.2341       138.8754 785.4719       316.8171 580.9325       154.5109 134.3809 38.32701 131.9745 20.63826 2.406464       43.53041 
1 1 1 -14 40 4  o 63.70692 25.19911 110.7399       139.4673 1043.304       339.7940 -78.19486      152.9440 157.9745 37.28046 48.53966 22.51138 109.4348       43.54992 
1 1 1 -14 40 5  o 143.2927 18.14501 666.6520       149.0730 534.3373       388.2846 689.5269       161.4456 105.2710 41.91481 144.6999 19.52179 -39.42889      46.23799 
1 1 1 -14 40 6  o 93.35117 25.28498 314.4103       141.8240 292.5226       407.0984 317.4337       151.3025 90.04551 39.66161 93.04476 26.46968 -2.999252      47.68320 
1 1 1 -14 40 7  f 33.63698 16.79995 -322.1744      136.0987 -538.8724      400.7683 -293.9262      144.6978 60.62286 30.03399 36.25119 17.97494 24.37167       35.00199 
1 1 1 -14 40 8  o 92.08793 24.56979 304.6284       135.1489 954.3106       411.1264 225.9164       143.1019 135.8593 44.63380 79.11879 26.34629 56.74054       51.82956 
1 1 1 -14 40 9  o 50.58709 22.42958 -2.196966      132.2826 -45.04899      394.4776 3.232280       140.4127 73.86264 34.85978 52.33912 23.16240 21.52353       41.85333 
1 1 1 -14 40 10 o 66.77158 25.26205 141.8455       135.5958 205.3062       408.9137 134.0054       143.7279 84.41683 38.26369 66.28851 25.76981 18.12832       46.13234 
1 1 1 -14 40 11 o 37.73929 18.34712 -183.0389      128.8144 -282.2763      379.6574 -170.1286      136.9373 64.71579 31.47008 39.96698 19.30730 24.74881       36.92070 
1 1 1 -14 40 12 o 78.03629 25.62103 221.6955       135.4778 -8.886061      375.5915 256.1832       145.2565 73.24361 34.39552 82.99846 26.47151 -9.754852      43.40268 
1 1 1 -14 40 13 o 89.15258 25.86165 296.1209       143.0963 112.7174       383.9609 325.7033       154.2055 78.20597 36.05661 92.80897 26.82433 -14.60300      44.94023 
1 1 1 -14 40 14 o 60.48993 24.16885 100.2783       129.5482 -177.3019      398.7756 133.0298       136.9778 68.32632 32.99254 65.16454 25.20558 3.161789       41.51902 
1 1 1 -14 40 15 o 71.41021 25.14376 180.8066       130.7865 232.0938       408.7789 174.9579       138.0425 83.59161 38.03406 70.69113 25.72032 12.90048       45.91432 
1 1 1 -14 40 16 o 100.0508 23.97570 363.3413       138.8435 -87.26892      402.1805 424.3124       147.9388 70.85323 33.93216 108.4553 23.90366 -37.60204      41.50634 
1 1 1 -14 40 17 o 107.0085 23.61109 413.4327       144.1992 461.5589       391.1443 405.8631       155.1256 94.22084 40.17914 104.2323 25.57229 -10.01149      47.62673 
1 1 1 -14 40 18 o 75.22178 27.18006 212.1034       153.8044 -25.64237      356.5349 266.4625       170.4832 69.49442 32.90059 82.06430 28.72171 -12.56988      43.67363 
1 1 1 -14 40 19 o 46.93008 21.77406 -60.96637      143.3177 11.13179       336.2937 -76.96678      158.4244 69.48530 32.60391 48.25224 22.55586 21.23306       39.64570 
1 1 1 -14 40 20 o 62.96669 25.51011 116.8581       146.4954 114.8305       316.8647 117.4093       165.2125 72.94403 33.30356 64.35553 26.69134 8.588501       42.67968 
1 1 1 -14 40 21 o 62.41981 26.24708 100.6141       163.0527 -448.4687      343.8431 259.9083       185.2002 55.45359 27.53288 80.22361 29.69075 -24.77002      40.49197 
1 1 1 -14 40 22 o 94.28934 30.69134 382.1159       194.6008 0.000000       0.000000 382.1159       194.6008 ?        ?        94.28934 30.69134 0.000000       30.69134 
1 1 1 -14 41 1  o 166.9568 38.24443 1206.417       366.4122 1206.417       366.4122 0.000000       0.000000 166.9568 38.24443 ?        ?        0.000000       38.24443 
1 1 1 -14 41 2  o 52.34376 25.32156 -241.4783      237.5871 198.2616       346.0241 -633.7081      326.7975 82.13833 36.35482 51.46329 25.75266 30.67504       44.55190 
1 1 1 -14 41 3  o 48.69743 22.52663 -67.25710      151.6881 79.91372       359.0821 -99.22416      167.3533 76.70341 35.18229 49.19173 23.05563 27.51168       42.06370 
1 1 1 -14 41 4  f 208.7021 14.38030 1365.677       174.9372 1269.881       392.5786 1389.412       195.4111 167.4211 40.44027 208.8500 16.07746 -41.42889      43.51896 
1 1 1 -14 41 5  o 95.90353 28.97983 356.0751       176.7310 0.000000       0.000000 356.0751       176.7310 ?        ?        95.90353 28.97983 0.000000       28.97983 
1 1 1 -14 41 6  o 96.78618 26.07279 346.9614       151.2939 625.2749       353.0951 284.3739       167.4436 111.2006 41.02487 86.26097 28.49149 24.93958       49.94802 
1 1 1 -14 41 7  o 121.8793 21.74412 511.4306       149.7235 615.2995       363.6584 490.2302       164.2944 109.1665 41.35492 116.7259 24.76744 -7.559364      48.20431 
1 1 1 -14 41 8  o 48.99581 22.26332 -31.98880      139.4827 -346.1896      373.7840 18.84240       150.3427 62.08242 30.41235 54.74809 24.10892 7.334335       38.80917 
1 1 1 -14 41 9  o 65.41132 25.39388 132.9615       139.4167 -72.17713      382.5192 164.3862       149.7148 70.90614 33.71624 69.90325 26.52227 1.002884       42.89774 
1 1 1 -14 41 10 o 50.09043 22.56464 -17.13676      139.6470 -467.0319      373.7188 55.87599       150.5527 58.84346 29.12570 57.97190 24.82948 0.8715515      38.27283 
1 1 1 -14 41 11 o 111.6884 22.72798 439.7974       143.8038 267.5934       377.6052 469.0091       155.5233 84.81187 37.73321 114.3768 23.95386 -29.56495      44.69432 
1 1 1 -14 41 12 o 67.77183 25.74064 152.7528       141.1104 87.51704       379.7556 163.2030       151.9931 76.27483 35.40792 69.56355 26.64338 6.711288       44.31242 
1 1 1 -14 41 13 o 72.09659 26.16084 185.9787       142.6798 487.8220       407.6731 143.8449       152.3129 96.02277 40.98553 67.09727 26.39770 28.92550       48.75092 
1 1 1 -14 41 14 f 150.1216 17.53646 741.1306       151.4906 160.9368       396.6829 840.1956       163.9143 79.13231 36.54272 159.6564 17.80858 -80.52412      40.65115 
1 1 1 -14 41 15 o 129.6870 20.55324 577.9296       151.1180 697.2546       392.1518 557.1197       163.7660 109.0676 42.51937 124.8526 23.21974 -15.78497      48.44640 
1 1 1 -14 41 16 o 99.32520 25.48961 372.1675       149.2124 404.8495       361.9093 365.4744       163.7804 90.23249 38.56810 96.42502 27.57496 -6.192528      47.41178 
1 1 1 -14 41 17 o 62.26462 26.56382 89.83988       171.1051 -227.2581      333.5222 203.1104       199.3363 60.72120 29.52039 74.44083 29.89911 -13.71963      42.01678 
1 1 1 -14 41 18 o 53.57611 24.42974 -17.75296      169.8045 67.33363       290.2503 -62.02797      209.3734 69.12309 31.67767 55.60479 25.97236 13.51831       40.96387 
1 1 1 -14 41 19 o 53.06555 23.45273 21.92882       143.4934 -134.1716      262.8530 88.19836       171.2647 57.52269 27.51682 61.81108 26.47829 -4.288395      38.18736 
1 1 1 -14 42 1  o 58.16093 25.04477 51.69957       154.7297 419.0375       379.7999 -21.40143      169.4274 94.00073 39.81945 54.16861 24.58352 39.83212       46.79678 
1 1 1 -14 42 2  o 65.30156 26.16040 124.4755       152.1883 481.0613       369.1967 51.48080       167.0404 98.15060 40.22087 59.51907 25.82581 38.63153       47.79844 
1 1 1 -14 42 3  o 129.6150 22.75942 587.1910       166.6996 802.9330       356.7700 526.9354       188.5471 125.4432 41.59460 117.9663 27.72461 7.476883       49.98765 
1 1 1 -14 42 4  o 141.5893 20.42516 678.5430       164.7100 1259.196       341.4895 502.5065       188.0271 174.2192 34.64192 114.5538 28.18349 59.66533       44.65839 
1 1 1 -14 42 5  o 128.5295 22.93694 579.9309       166.5540 498.1398       334.3113 606.9340       192.0901 100.2823 39.21115 128.1477 26.43670 -27.86542      47.29073 
1 1 1 -14 42 6  f 59.20138 25.28497 64.08482       155.3337 298.3289       361.7285 11.12351       171.9997 86.20607 37.69513 56.69739 25.32974 29.50868       45.41496 
1 1 1 -14 42 7  o 56.27204 24.58698 34.56810       153.6355 -179.6646      359.0509 82.58389       169.9829 65.30597 31.47727 62.32175 26.52874 2.984222       41.16543 
1 1 1 -14 42 8  o 123.8686 21.89223 534.0029       153.2230 -0.6174891     356.4027 655.2194       169.7067 71.30799 33.49249 137.5631 21.75806 -66.25507      39.93945 
1 1 1 -14 42 9  o 37.65519 18.57998 -261.3535      147.9204 -122.6598      364.9935 -288.6095      161.8036 67.17618 32.21211 39.03213 19.29144 28.14405       37.54703 
1 1 1 -14 42 10 o 41.79097 20.16158 -166.6051      148.1156 -111.5791      385.2832 -176.1476      160.4454 68.58810 32.94306 43.40914 20.95259 25.17896       39.04173 
1 1 1 -14 42 11 o 57.87529 24.76687 61.95298       149.5599 329.2835       403.3456 19.33815       161.0399 86.46304 38.69659 55.50999 24.67244 30.95304       45.89287 
1 1 1 -14 42 12 f 63.39742 25.87498 114.9635       152.0355 69.58106       405.5552 122.3843       163.9953 75.30955 35.48236 65.03164 26.74486 10.27791       44.43293 
1 1 1 -14 42 13 o 138.1874 19.93484 651.0594       156.8933 172.8486       391.1687 742.7389       171.2736 78.64836 36.30807 147.2529 20.37802 -68.60452      41.63579 
1 1 1 -14 42 14 o 61.80388 25.66523 100.5480       153.0237 269.3306       380.5053 67.98379       167.1349 82.58886 37.22202 60.00527 25.93516 22.58359       45.36641 
1 1 1 -14 42 15 o 65.04451 26.29009 130.5246       155.1781 -503.3178      362.0833 273.1382       171.7506 55.86277 27.82143 82.45731 28.83047 -26.59453      40.06530 
1 1 1 -14 42 16 o 39.20849 19.44360 -310.6056      169.4984 -526.8732      345.5773 -242.0970      194.5010 53.76163 26.83870 45.38838 22.17130 8.373253       34.81210 
1 1 1 -14 43 1  o 78.90266 27.93857 237.9296       161.6554 150.3533       407.8499 254.2522       176.0770 79.19269 36.73898 80.74274 29.09386 -1.550056      46.86369 
1 1 1 -14 43 2  o 179.1913 17.27225 1049.799       179.2700 1513.816       386.2043 922.3600       202.3961 186.1817 36.67487 163.2845 21.66966 22.89713       42.59836 
1 1 1 -14 43 3  o 254.6382 28.71050 2477.773       421.2948 2477.773       421.2948 0.000000       0.000000 254.6382 28.71050 ?        ?        0.000000       28.71050 
1 1 1 -14 43 4  o 108.4598 25.98542 442.0692       163.1219 98.12657       325.7152 557.2138       188.4591 73.38377 33.60291 120.9603 27.22492 -47.57652      43.24756 
1 1 1 -14 43 5  o 158.3800 18.16838 831.4908       165.7072 998.0328       318.3060 769.5754       194.0806 149.2994 36.63242 147.2358 23.24651 2.063538       43.38587 
1 1 1 -14 43 6  o 115.6711 25.50160 497.3005       168.3355 1259.489       326.9530 222.3817       196.3615 174.4215 33.17402 76.78381 30.04298 97.63766       44.75597 
1 1 1 -14 43 7  o 99.04440 27.18878 380.7183       162.7097 524.6422       329.3927 334.2654       187.1345 100.3371 39.01036 90.07207 30.13112 10.26502       49.29192 
1 1 1 -14 43 8  o 68.21521 27.99002 145.1297       179.0920 0.000000       0.000000 145.1297       179.0920 ?        ?        68.21521 27.99002 0.000000       27.99002 
1 1 1 -14 43 9  o 80.35951 28.19890 253.0958       164.4026 409.0822       375.0141 215.9853       182.9165 90.32466 38.94326 75.68377 29.16632 14.64089       48.65441 
1 1 1 -14 43 10 o 54.02409 24.27588 3.156479       160.4947 196.0169       365.7358 -42.83998      178.6109 78.90479 35.93046 53.17969 24.54471 25.72510       43.51369 
1 1 1 -14 43 11 o 68.80437 27.46553 158.8591       167.1446 -20.02149      381.2583 201.4192       185.9685 70.57117 33.58639 73.94705 29.14540 -3.375877      44.46909 
1 1 1 -14 43 12 f 41.16746 20.18694 -242.2992      165.9581 -1169.133      393.5913 -41.88674      183.0235 47.61252 24.29833 53.57838 24.77029 -5.965862      34.69836 
1 1 1 -14 43 13 o 69.41909 27.42791 169.0599       165.0606 -291.9402      385.0121 272.8703       182.7024 62.11530 30.51723 81.52694 29.60048 -19.41164      42.51459 
1 1 1 -14 44 1  o 135.6231 22.12654 645.9243       169.9316 1270.311       442.7453 538.0534       184.0260 148.4864 46.06090 118.6690 27.04590 29.81744       53.41430 
1 1 1 -14 44 2  o 169.2098 19.54954 967.4734       190.4412 1942.569       423.9886 721.0272       213.1530 212.8819 35.18806 137.5906 27.37847 75.29128       44.58453 
1 1 1 -14 44 3  o 101.2496 28.84542 412.0802       179.5524 263.3069       364.9699 459.5855       206.2363 82.23207 36.80588 104.3312 31.25641 -22.09910      48.28702 
1 1 1 -14 44 4  o 63.73185 26.75290 107.2264       168.9454 3.965714       355.7791 137.2900       191.9701 70.21808 33.12939 68.02923 28.53474 2.188850       43.72400 
1 1 1 -14 44 5  o 43.81598 21.15401 -174.1598      163.7835 -414.8517      346.5774 -104.9507      185.8450 56.63226 28.03426 50.47906 23.85494 6.153198       36.81003 
1 1 1 -14 44 6  o 54.05238 24.73194 -21.55847      175.9922 -242.8226      336.0625 62.05394       206.5856 60.27673 29.37791 62.90954 27.95386 -2.632809      40.55219 
1 1 1 -14 44 7  o 56.22508 25.03769 25.46979       166.6462 232.0901       369.2438 -27.38129      186.7470 79.91301 36.27692 54.88546 25.24718 25.02755       44.19768 
1 1 1 -13 0  1  o 260.6393 12.86480 2008.222       195.5521 2008.222       195.5521 2008.222       195.5521 260.6393 12.86480 260.6393 12.86480 0.000000       0.000000 
1 1 1 -13 0  2  o 65.34323 32.81509 184.9752       154.4944 184.9752       154.4944 184.9752       154.4944 65.34323 32.81509 65.34323 32.81509 0.000000       0.000000 
1 1 1 -13 0  3  o 427.1715 12.79548 5369.645       319.9087 5369.645       319.9087 5369.645       319.9087 427.1715 12.79548 427.1715 12.79548 0.000000       0.000000 
1 1 1 -13 0  4  f 482.8971 13.27651 6859.454       375.3585 6859.454       375.3585 6859.454       375.3585 482.8971 13.27651 482.8971 13.27651 0.000000       0.000000 
1 1 1 -13 0  5  o 502.9641 13.67500 7441.314       402.7063 7441.314       402.7063 7441.314       402.7063 502.9641 13.67500 502.9641 13.67500 0.000000       0.000000 
1 1 1 -13 0  6  o 272.6776 12.34503 2195.298       196.4964 2195.298       196.4964 2195.298       196.4964 272.6776 12.34503 272.6776 12.34503 0.000000       0.000000 
1 1 1 -13 0  7  o 569.6607 14.65056 9544.737       488.7326 9544.737       488.7326 9544.737       488.7326 569.6607 14.65056 569.6607 14.65056 0.000000       0.000000 
1 1 1 -13 0  8  o 504.3848 13.66295 7483.326       403.4929 7483.326       403.4929 7483.326       403.4929 504.3848 13.66295 504.3848 13.66295 0.000000       0.000000 
1 1 1 -13 0  9  o 213.1272 14.46588 1351.666       178.8721 1351.666       178.8721 1351.666       178.8721 213.1272 14.46588 213.1272 14.46588 0.000000       0.000000 
1 1 1 -13 0  10 o 607.5290 15.55609 10857.87       553.4446 10857.87       553.4446 10857.87       553.4446 607.5290 15.55609 607.5290 15.55609 0.000000       0.000000 
1 1 1 -13 0  11 o 341.4897 12.74101 3436.790       254.3640 3436.790       254.3640 3436.790       254.3640 341.4897 12.74101 341.4897 12.74101 0.000000       0.000000 
1 1 1 -13 0  12 o 834.3186 20.00295 20491.92       977.4898 20491.92       977.4898 20491.92       977.4898 834.3186 20.00295 834.3186 20.00295 0.000000       0.000000 
1 1 1 -13 0  13 o 51.01599 30.40646 81.64967       160.0729 81.64967       160.0729 81.64967       160.0729 51.01599 30.40646 51.01599 30.40646 0.000000       0.000000 
1 1 1 -13 0  14 o 156.7747 20.32421 757.9061       178.2222 757.9061       178.2222 757.9061       178.2222 156.7747 20.32421 156.7747 20.32421 0.000000       0.000000 
1 1 1 -13 0  15 o 1420.265 32.54266 59648.21       2707.433 59648.21       2707.433 59648.21       2707.433 1420.265 32.54266 1420.265 32.54266 0.000000       0.000000 
1 1 1 -13 0  16 o 688.7678 16.89439 13963.82       681.5149 13963.82       681.5149 13963.82       681.5149 688.7678 16.89439 688.7678 16.89439 0.000000       0.000000 
1 1 1 -13 0  17 o 313.0905 11.45005 2888.885       209.6072 2888.885       209.6072 2888.885       209.6072 313.0905 11.45005 313.0905 11.45005 0.000000       0.000000 
1 1 1 -13 0  18 o 955.6760 22.34250 26942.84       1250.710 26942.84       1250.710 26942.84       1250.710 955.6760 22.34250 955.6760 22.34250 0.000000       0.000000 
1 1 1 -13 0  19 o 677.6306 23.38523 13586.12       926.8506 13586.12       926.8506 13586.12       926.8506 677.6306 23.38523 677.6306 23.38523 0.000000       0.000000 
1 1 1 -13 0  20 o 294.5000 10.75635 2556.732       185.2176 2556.732       185.2176 2556.732       185.2176 294.5000 10.75635 294.5000 10.75635 0.000000       0.000000 
1 1 1 -13 0  21 o 503.1575 13.17378 7455.603       388.1427 7455.603       388.1427 7455.603       388.1427 503.1575 13.17378 503.1575 13.17378 0.000000       0.000000 
1 1 1 -13 0  22 o 275.9712 10.39635 2246.329       167.7226 2246.329       167.7226 2246.329       167.7226 275.9712 10.39635 275.9712 10.39635 0.000000       0.000000 
1 1 1 -13 0  23 o 287.8409 10.36775 2443.346       174.5043 2443.346       174.5043 2443.346       174.5043 287.8409 10.36775 287.8409 10.36775 0.000000       0.000000 
1 1 1 -13 0  24 o 229.6841 10.39521 1559.574       139.3729 1559.574       139.3729 1559.574       139.3729 229.6841 10.39521 229.6841 10.39521 0.000000       0.000000 
1 1 1 -13 0  25 o 180.5062 11.52394 969.6569       120.8408 969.6569       120.8408 969.6569       120.8408 180.5062 11.52394 180.5062 11.52394 0.000000       0.000000 
1 1 1 -13 0  26 o 442.5264 12.15019 5774.774       314.7979 5774.774       314.7979 5774.774       314.7979 442.5264 12.15019 442.5264 12.15019 0.000000       0.000000 
1 1 1 -13 0  27 o 34.39539 21.42136 22.73478       87.48526 22.73478       87.48526 22.73478       87.48526 34.39539 21.42136 34.39539 21.42136 0.000000       0.000000 
1 1 1 -13 0  28 o 371.1685 11.23156 4064.122       243.9832 4064.122       243.9832 4064.122       243.9832 371.1685 11.23156 371.1685 11.23156 0.000000       0.000000 
1 1 1 -13 0  29 o 131.9955 14.65549 532.2309       109.8788 532.2309       109.8788 532.2309       109.8788 131.9955 14.65549 131.9955 14.65549 0.000000       0.000000 
1 1 1 -13 0  30 o 247.8391 11.14712 1817.880       161.2769 1817.880       161.2769 1817.880       161.2769 247.8391 11.14712 247.8391 11.14712 0.000000       0.000000 
1 1 1 -13 0  31 o 314.9687 11.30252 2929.965       208.1714 2929.965       208.1714 2929.965       208.1714 314.9687 11.30252 314.9687 11.30252 0.000000       0.000000 
1 1 1 -13 0  32 o 41.27271 24.60550 55.12712       104.8715 55.12712       104.8715 55.12712       104.8715 41.27271 24.60550 41.27271 24.60550 0.000000       0.000000 
1 1 1 -13 0  33 o 285.6673 11.36239 2413.787       189.6766 2413.787       189.6766 2413.787       189.6766 285.6673 11.36239 285.6673 11.36239 0.000000       0.000000 
1 1 1 -13 0  34 o 60.27505 36.13450 122.9870       228.6021 122.9870       228.6021 122.9870       228.6021 60.27505 36.13450 60.27505 36.13450 0.000000       0.000000 
1 1 1 -13 0  35 o 122.2963 19.21232 475.2956       127.6483 475.2956       127.6483 475.2956       127.6483 122.2963 19.21232 122.2963 19.21232 0.000000       0.000000 
1 1 1 -13 0  36 o 173.4402 13.50681 904.8493       135.4204 904.8493       135.4204 904.8493       135.4204 173.4402 13.50681 173.4402 13.50681 0.000000       0.000000 
1 1 1 -13 0  37 o 129.4178 18.98237 529.2400       135.0151 529.2400       135.0151 529.2400       135.0151 129.4178 18.98237 129.4178 18.98237 0.000000       0.000000 
1 1 1 -13 0  38 o 179.0575 14.29418 968.3027       147.8403 968.3027       147.8403 968.3027       147.8403 179.0575 14.29418 179.0575 14.29418 0.000000       0.000000 
1 1 1 -13 0  39 o 28.53048 19.85655 -102.0619      118.5387 -102.0619      118.5387 -102.0619      118.5387 28.53048 19.85655 28.53048 19.85655 0.000000       0.000000 
1 1 1 -13 0  40 o 42.61508 25.69119 60.90846       116.8603 60.90846       116.8603 60.90846       116.8603 42.61508 25.69119 42.61508 25.69119 0.000000       0.000000 
1 1 1 -13 0  41 o 31.59183 21.49344 -57.92723      121.4542 -57.92723      121.4542 -57.92723      121.4542 31.59183 21.49344 31.59183 21.49344 0.000000       0.000000 
1 1 1 -13 0  42 o 41.05543 25.67832 41.70185       127.0986 41.70185       127.0986 41.70185       127.0986 41.05543 25.67832 41.05543 25.67832 0.000000       0.000000 
1 1 1 -13 0  43 o 96.45399 24.87880 336.5530       121.6199 336.5530       121.6199 336.5530       121.6199 96.45399 24.87880 96.45399 24.87880 0.000000       0.000000 
1 1 1 -13 0  44 o 157.2385 14.84195 764.7177       133.8983 764.7177       133.8983 764.7177       133.8983 157.2385 14.84195 157.2385 14.84195 0.000000       0.000000 
1 1 1 -13 0  45 o 179.9455 14.98654 999.1014       155.5443 999.1014       155.5443 999.1014       155.5443 179.9455 14.98654 179.9455 14.98654 0.000000       0.000000 
1 1 1 -13 0  46 o 50.55689 28.88827 120.2408       134.8188 120.2408       134.8188 120.2408       134.8188 50.55689 28.88827 50.55689 28.88827 0.000000       0.000000 
1 1 1 -13 0  47 o 28.91955 20.50196 -160.5594      145.3989 -160.5594      145.3989 -160.5594      145.3989 28.91955 20.50196 28.91955 20.50196 0.000000       0.000000 
1 1 1 -13 0  48 o 38.30589 25.39898 -5.844678      150.5836 -5.844678      150.5836 -5.844678      150.5836 38.30589 25.39898 38.30589 25.39898 0.000000       0.000000 
1 1 1 -13 0  49 o 50.76027 33.49828 51.23734       257.0049 51.23734       257.0049 51.23734       257.0049 50.76027 33.49828 50.76027 33.49828 0.000000       0.000000 
1 1 1 -13 0  50 o 144.5414 21.82163 704.8480       172.5289 704.8480       172.5289 704.8480       172.5289 144.5414 21.82163 144.5414 21.82163 0.000000       0.000000 
1 1 1 -13 1  1  o 794.5029 13.47935 18544.10       628.0798 18280.20       878.1187 18820.52       898.7173 788.1195 18.99812 799.6567 19.16324 -11.53723      26.98441 
1 1 1 -13 1  2  o 735.1719 12.60060 15874.20       543.2885 15807.33       765.8893 15941.92       770.7860 733.0380 17.81513 736.1470 17.85331 -3.109009      25.22141 
1 1 1 -13 1  3  o 1066.884 17.46273 33479.36       1092.647 33588.69       1549.714 33371.29       1540.799 1066.987 24.76520 1063.544 24.70243 3.442139       34.97893 
1 1 1 -13 1  4  f 59.95150 22.08222 83.24570       102.2322 278.9736       146.0185 -104.9459      143.1797 95.58700 25.55464 48.36319 22.19539 47.22381       33.84782 
1 1 1 -13 1  5  o 1283.574 20.76881 48515.98       1563.447 48231.05       2200.241 48806.58       2222.014 1277.126 29.37555 1284.681 29.49178 -7.554688      41.62557 
1 1 1 -13 1  6  o 761.1750 12.92185 17017.47       576.8459 17081.61       817.1573 16953.77       814.4161 761.9882 18.28550 759.1307 18.29276 2.857483       25.86474 
1 1 1 -13 1  7  o 248.3651 8.760765 1812.443       127.4097 1747.970       172.1672 1890.498       189.4375 243.6790 12.08478 253.3866 12.78905 -9.707581      17.59551 
1 1 1 -13 1  8  o 599.9099 10.75600 10565.41       378.4315 10638.40       536.5927 10493.18       533.7841 601.4442 15.22468 597.3196 15.24978 4.124634       21.54871 
1 1 1 -13 1  9  o 487.9029 9.548992 6986.889       273.2383 6844.782       381.4819 7136.596       391.5492 482.5087 13.49413 492.6881 13.56367 -10.17935      19.13282 
1 1 1 -13 1  10 o 946.9949 15.67458 26364.12       870.5506 26099.07       1221.984 26637.27       1240.515 941.0413 22.14145 950.6711 22.24954 -9.629822      31.38927 
1 1 1 -13 1  11 f 508.0476 9.965951 7576.834       296.9434 7583.341       421.1730 7570.403       418.7206 507.7973 14.15610 507.3709 14.08538 0.4263916      19.96980 
1 1 1 -13 1  12 o 158.0633 13.48847 739.4026       123.8449 705.7406       172.0927 775.5620       178.3618 153.5927 19.54697 161.1704 19.24992 -7.577682      27.43435 
1 1 1 -13 1  13 o 536.8883 10.36885 8463.019       326.4862 8590.569       467.1510 8341.229       456.4766 540.3774 14.75422 532.4860 14.63092 7.891418       20.77861 
1 1 1 -13 1  14 o 1452.761 23.46614 62303.14       1999.339 61587.80       2801.006 63046.19       2854.743 1439.619 33.17538 1456.421 33.42179 -16.80176      47.09164 
1 1 1 -13 1  15 o 1222.803 19.86864 44071.04       1424.869 43149.25       1980.462 45060.20       2051.557 1206.926 27.97922 1233.189 28.36635 -26.26306      39.84327 
1 1 1 -13 1  16 o 291.5235 8.358914 2496.580       142.7662 2410.398       199.8451 2586.404       204.0235 286.1736 11.93350 296.4706 11.75737 -10.29703      16.75243 
1 1 1 -13 1  17 o 641.0681 11.20850 12074.55       421.4075 12029.56       596.0586 12119.51       595.8618 639.2462 15.89902 641.6420 15.83442 -2.395813      22.43898 
1 1 1 -13 1  18 o 242.4877 8.060134 1728.123       114.4665 1716.773       161.4345 1739.599       162.3295 241.4147 11.43453 243.0191 11.42150 -1.604385      16.16166 
1 1 1 -13 1  19 o 551.5266 14.23134 8961.842       459.9386 9138.415       671.2790 8805.600       631.4495 555.5059 20.64048 545.5040 19.77011 10.00189       28.58123 
1 1 1 -13 1  20 o 157.5685 9.262239 731.9672       85.21503 685.1827       119.1485 780.9567       121.9239 151.9536 13.51059 162.3806 12.90896 -10.42700      18.68628 
1 1 1 -13 1  21 f 50.77972 18.03824 65.75378       67.43306 67.42043       93.55781 63.95186       97.28060 55.73508 21.00664 55.86085 21.33502 -0.1257668     29.94098 
1 1 1 -13 1  22 o 187.2962 7.850574 1032.347       86.04327 1117.339       122.6179 949.8976       120.7702 194.5713 10.78767 179.2617 11.54885 15.30957       15.80348 
1 1 1 -13 1  23 o 266.0429 7.221015 2080.669       112.5638 2094.253       161.3938 2067.804       157.0726 266.5639 10.34332 264.9004 10.12904 1.663513       14.47694 
1 1 1 -13 1  24 o 590.7672 10.40665 10275.99       360.5601 10196.62       507.5011 10356.88       512.3515 587.0972 14.75097 591.8712 14.76013 -4.774048      20.86750 
1 1 1 -13 1  25 o 200.1646 7.629209 1179.422       89.39670 1168.989       124.7149 1190.448       128.2096 198.9013 10.73102 200.6950 10.93395 -1.793640      15.32012 
1 1 1 -13 1  26 o 261.8654 7.244436 2017.205       111.1516 2072.243       160.0475 1965.927       154.4842 264.9897 10.31811 258.1069 10.22573 6.882843       14.52683 
1 1 1 -13 1  27 o 153.7647 8.422399 697.8228       75.66263 675.8862       107.8668 719.0706       106.1598 150.7638 12.30642 155.6336 11.71675 -4.869843      16.99206 
1 1 1 -13 1  28 o 297.7452 7.427819 2607.089       129.7050 2662.286       187.9921 2556.942       179.1857 300.2331 10.69362 294.2832 10.39849 5.949860       14.91584 
1 1 1 -13 1  29 o 97.72887 13.07652 287.4637       73.06977 261.0919       103.7508 313.4183       102.9267 91.71603 19.86427 101.0790 18.02379 -9.362946      26.82249 
1 1 1 -13 1  30 o 23.22729 11.66129 -205.8363      69.69543 -182.1315      98.68082 -229.4294      98.44806 32.39590 15.81772 30.01762 14.87396 2.378281       21.71255 
1 1 1 -13 1  31 o 264.2037 7.933757 2055.485       122.7937 2043.823       176.8956 2066.330       170.5891 262.8493 11.50304 264.3887 11.02585 -1.539398      15.93390 
1 1 1 -13 1  32 o 506.3985 9.527218 7557.655       282.9496 7794.502       408.4241 7339.071       392.3612 512.7691 13.59321 497.6066 13.45700 15.16254       19.12764 
1 1 1 -13 1  33 o 368.3462 8.254977 3995.364       178.3292 4156.055       258.8244 3850.142       246.0514 374.6838 11.79318 360.6590 11.64792 14.02481       16.57568 
1 1 1 -13 1  34 o 357.3002 7.633174 3758.644       159.9517 3745.787       381.4101 3761.388       176.1941 352.8109 18.49777 357.2778 8.408814 -4.466827      20.31934 
1 1 1 -13 1  35 o 114.1704 12.90662 391.9836       84.90692 417.7718       115.4670 361.6228       125.2862 116.7928 17.38671 107.6101 20.60186 9.182648       26.95801 
1 1 1 -13 1  36 o 289.2203 7.091871 2463.636       120.2929 2673.252       178.5191 2289.300       162.8047 300.4216 10.14674 278.0259 10.00090 22.39569       14.24691 
1 1 1 -13 1  37 o 110.9435 13.83418 372.8490       88.06267 435.9460       127.8792 315.9385       121.4483 118.5657 19.03432 99.90221 21.37455 18.66349       28.62127 
1 1 1 -13 1  38 f 206.1435 8.449453 1258.015       101.9359 1193.639       142.2914 1325.886       146.1025 199.7629 12.20367 210.6839 11.87235 -10.92099      17.02593 
1 1 1 -13 1  39 o 272.6031 7.477378 2197.038       119.4319 2167.083       165.8569 2229.298       172.1216 269.6686 10.50714 273.4138 10.75505 -3.745209      15.03566 
1 1 1 -13 1  40 o 55.84129 20.55409 82.57986       88.54705 -43.56200      122.5505 220.3647       128.0814 46.92964 21.13975 81.79422 24.66086 -34.86458      32.48149 
1 1 1 -13 1  41 o 63.67309 20.40346 127.8492       86.21758 99.21978       122.2805 156.1527       121.5826 62.23265 23.88200 70.56496 24.27944 -8.332306      34.05644 
1 1 1 -13 1  42 o 142.6085 10.86627 614.6099       90.19742 520.8825       122.4353 725.8488       133.3835 128.6810 16.61049 153.0482 15.05482 -24.36728      22.41776 
1 1 1 -13 1  43 o 97.91315 16.47808 305.6928       91.26655 253.7062       123.0013 369.3756       136.1367 85.92557 23.66008 104.3571 22.87584 -18.43151      32.91054 
1 1 1 -13 1  44 o 57.33070 21.19196 94.86694       94.29848 122.2873       134.8750 68.64631       131.8914 65.09674 25.05581 58.26173 23.97517 6.835011       34.67856 
1 1 1 -13 1  45 f 157.7875 11.78972 763.2546       108.3117 800.2844       154.6147 727.5717       151.7766 158.0555 16.94394 150.1805 17.56352 7.875000       24.40439 
1 1 1 -13 1  46 o 77.60502 21.34735 209.3163       100.1876 155.4531       139.1687 267.2621       144.3465 68.68726 25.67660 84.97549 26.29025 -16.28822      36.74867 
1 1 1 -13 1  47 o 54.37539 21.86066 72.10315       106.6686 87.62453       153.8065 57.71955       148.0618 61.29548 25.61404 57.74368 24.67483 3.551800       35.56580 
1 1 1 -13 1  48 o 94.28558 26.35450 339.3286       151.3583 0.000000       0.000000 339.3286       151.3583 ?        ?        94.28558 26.35450 0.000000       26.35450 
1 1 1 -13 1  49 o 75.93700 23.82049 212.9973       118.0589 363.4956       188.8738 116.4897       151.2469 93.17670 30.22952 63.23415 25.80800 29.94255       39.74766 
1 1 1 -13 1  50 o 102.6323 21.92902 377.7810       127.9866 373.7150       190.8887 381.1016       172.5050 93.50078 30.39452 96.59957 28.49961 -3.098793      41.66599 
1 1 1 -13 2  1  o 269.6593 10.71183 2138.108       169.0692 2333.381       283.2354 2030.014       210.7307 281.1449 17.26098 262.5074 13.73565 18.63754       22.05923 
1 1 1 -13 2  2  o 82.60406 22.16036 207.9367       109.5710 243.6552       156.8880 173.9244       153.0951 90.48808 27.29607 79.97423 27.25262 10.51385       38.57177 
1 1 1 -13 2  3  o 851.6777 14.26134 21312.97       712.3383 21132.46       1001.677 21497.67       1013.219 847.2147 20.15969 854.4941 20.21826 -7.279480      28.55155 
1 1 1 -13 2  4  o 374.7806 8.758962 4121.926       192.5220 4084.046       270.7756 4160.653       273.7836 372.7088 12.40495 376.1903 12.42641 -3.481476      17.55843 
1 1 1 -13 2  5  o 1297.415 20.98884 49572.09       1597.048 49098.87       2240.895 50060.53       2276.664 1288.470 29.65490 1300.958 29.83905 -12.48804      42.06878 
1 1 1 -13 2  6  o 171.4283 10.95544 866.2733       109.5681 841.1296       146.9628 897.7396       164.4055 168.5150 15.02777 173.9901 16.30153 -5.475113      22.17146 
1 1 1 -13 2  7  o 43.19372 18.89386 -21.15186      90.94707 -79.52097      116.3885 70.37418       145.7441 44.09499 20.15190 65.42301 25.79667 -21.32803      32.73480 
1 1 1 -13 2  8  o 356.3343 8.578027 3726.071       179.2650 3949.900       259.0042 3520.247       248.3681 366.5532 12.06456 346.0058 12.25882 20.54742       17.19977 
1 1 1 -13 2  9  o 662.5855 11.62713 12891.26       451.8194 12787.37       635.7907 12997.25       642.1956 659.4626 16.43893 664.8490 16.47001 -5.386353      23.27014 
1 1 1 -13 2  10 o 333.6664 8.767900 3269.566       171.4282 3349.109       243.1547 3190.956       241.7237 337.4638 12.30645 329.3703 12.53654 8.093475       17.56741 
1 1 1 -13 2  11 o 833.0509 14.04728 20392.91       686.3005 20302.27       968.1337 20484.47       973.0358 830.3207 19.88103 834.0363 19.89268 -3.715576      28.12426 
1 1 1 -13 2  12 f 522.3077 10.18983 8008.901       312.1361 7969.407       442.0654 8048.168       440.7917 520.5118 14.49534 523.0921 14.38192 -2.580322      20.41947 
1 1 1 -13 2  13 o 526.7515 10.32764 8146.453       319.0491 8341.598       457.4092 7961.551       445.2438 532.4893 14.66078 520.2145 14.60815 12.27484       20.69629 
1 1 1 -13 2  14 o 182.4229 12.43940 982.2087       132.2888 714.0229       187.2826 1249.263       186.8871 154.1871 21.27751 205.5083 15.62306 -51.32124      26.39720 
1 1 1 -13 2  15 o 151.8419 12.40139 681.9373       109.4754 806.3848       152.4565 549.4564       157.3004 164.7895 15.97503 135.0101 20.51046 29.77942       25.99770 
1 1 1 -13 2  16 o 260.5892 8.474359 1995.393       129.3409 2065.481       181.6398 1923.300       184.2188 264.8866 11.72134 255.5344 12.32870 9.352264       17.01137 
1 1 1 -13 2  17 o 558.2614 10.17567 9153.762       333.1588 9126.179       470.6997 9181.452       471.6169 556.7794 14.42701 558.4664 14.41135 -1.687012      20.39180 
1 1 1 -13 2  18 o 371.2404 8.195699 4046.243       178.4398 4331.543       261.8128 3798.753       243.8478 383.6956 11.64814 359.3073 11.58699 24.38834       16.42978 
1 1 1 -13 2  19 o 421.6836 8.620279 5222.137       213.1859 5678.099       318.5847 4852.405       286.8822 439.1837 12.38117 406.0118 12.06136 33.17191       17.28496 
1 1 1 -13 2  20 o 338.8385 7.812594 3371.430       155.2525 3252.887       217.2551 3495.140       221.9402 332.4008 11.16025 344.5889 10.99614 -12.18814      15.66736 
1 1 1 -13 2  21 o 275.4453 7.466102 2229.671       120.4978 2284.772       171.5037 2175.953       169.3363 278.5340 10.51782 271.7962 10.64379 6.737732       14.96379 
1 1 1 -13 2  22 o 265.4195 7.358558 2070.713       114.4344 2006.162       160.3540 2137.705       163.3573 260.9223 10.50040 269.3712 10.35970 -8.448853      14.75066 
1 1 1 -13 2  23 o 193.2411 7.786587 1099.039       88.06573 977.5306       123.2931 1225.607       125.8333 181.7976 11.62469 203.7830 10.56483 -21.98541      15.70825 
1 1 1 -13 2  24 f 246.6323 7.293291 1788.850       105.3772 1779.746       150.0953 1797.699       147.9790 245.6319 10.44297 246.8975 10.24181 -1.265610      14.62704 
1 1 1 -13 2  25 o 285.5456 7.199121 2397.648       120.4645 2403.568       172.5004 2392.012       168.3022 285.4789 10.32003 284.8265 10.09126 0.6523438      14.43387 
1 1 1 -13 2  26 o 181.2755 7.750432 968.0278       82.20762 1021.254       118.6768 918.9281       113.9834 185.7900 10.94006 176.1812 11.08765 9.608795       15.57629 
1 1 1 -13 2  27 o 93.80123 12.79649 264.7896       68.56269 249.9285       97.59048 279.2740       96.34607 89.86705 19.10533 95.35037 17.88589 -5.483322      26.17094 
1 1 1 -13 2  28 o 113.6994 10.88030 384.8383       71.66795 398.8664       102.6963 371.5204       100.0625 114.8841 15.64847 110.7615 15.85570 4.122589       22.27729 
1 1 1 -13 2  29 o 75.81609 16.56223 177.4546       71.57774 200.2807       103.1788 156.2781       99.38049 80.28463 21.48923 71.79855 21.73914 8.486084       30.56758 
1 1 1 -13 2  30 o 457.7742 8.919663 6170.473       239.4695 5999.725       335.3063 6348.230       342.1186 450.2654 12.71035 463.2023 12.60548 -12.93695      17.90115 
1 1 1 -13 2  31 o 261.5150 8.136093 2014.353       124.6334 1973.880       177.0346 2054.123       175.4919 258.2585 11.71888 263.5336 11.38140 -5.275146      16.33611 
1 1 1 -13 2  32 o 229.3920 8.258859 1550.889       110.9275 1507.998       157.1266 1593.507       156.6250 225.5734 11.91943 231.9712 11.54900 -6.397797      16.59676 
1 1 1 -13 2  33 o 182.2557 8.863467 981.0774       94.45631 567.8306       272.6062 1037.460       100.6941 131.8963 34.75874 187.3820 9.190784 -55.48570      35.95332 
1 1 1 -13 2  34 o 158.1777 9.872682 741.4771       91.12976 1005.844       267.4522 706.7530       96.93004 179.3656 26.19758 154.2568 10.78218 25.10883       28.32965 
1 1 1 -13 2  35 o 111.8296 13.51771 377.1930       86.85956 439.7427       274.2363 370.2184       91.57427 115.8469 36.29975 110.5541 14.47073 5.292847       39.07779 
1 1 1 -13 2  36 o 105.1263 13.85708 334.8717       83.35617 411.7851       118.8037 260.2961       116.9842 115.5890 18.12029 90.55576 22.20118 25.03321       28.65724 
1 1 1 -13 2  37 o 188.2030 9.312153 1049.805       102.4652 1016.167       144.3544 1083.963       145.4673 184.0920 13.46350 190.2683 13.11638 -6.176315      18.79642 
1 1 1 -13 2  38 o 123.0117 13.91480 458.6474       98.62564 402.4303       138.6388 516.2462       140.3320 112.5450 21.79182 128.8542 19.15132 -16.30913      29.01131 
1 1 1 -13 2  39 o 52.92724 20.22613 64.20062       87.46358 84.17879       124.3192 44.62047       123.0746 61.44358 23.94402 56.31831 23.16606 5.125271       33.31640 
1 1 1 -13 2  40 o 357.2213 7.192003 3773.978       150.6738 3705.359       211.7651 3844.334       214.4297 352.2721 10.26098 358.8615 10.19878 -6.589386      14.46730 
1 1 1 -13 2  41 o 158.0973 9.946932 749.6199       91.76085 679.2788       123.5052 836.2925       137.0950 148.6876 14.34089 165.1245 14.29735 -16.43695      20.25031 
1 1 1 -13 2  42 o 39.00970 17.44139 -24.45140      81.72079 -48.02839      109.2771 5.464576       123.0939 43.23228 19.66842 50.97754 22.14429 -7.745258      29.61784 
1 1 1 -13 2  43 o 43.68579 18.95211 1.241036       89.92159 -25.21831      125.1594 29.47004       129.2772 48.19144 21.56289 54.12125 23.08971 -5.929810      31.59261 
1 1 1 -13 2  44 o 45.81695 19.70248 11.72752       95.51084 -15.59923      130.8217 42.91912       139.7670 49.67376 22.14800 56.55970 24.06509 -6.885937      32.70570 
1 1 1 -13 2  45 o 157.9732 10.80702 759.8842       99.52132 776.8873       139.3324 742.1739       142.2002 156.8732 15.34026 152.7496 16.11602 4.123596       22.24972 
1 1 1 -13 2  46 o 56.66685 21.62286 91.18498       99.86371 152.0088       136.0436 20.11583       147.0556 68.05006 25.39703 54.60741 23.95206 13.44265       34.91004 
1 1 1 -13 2  47 o 124.2597 18.54832 513.6038       131.0389 774.5358       277.6215 438.8069       148.6384 134.0414 34.95808 110.7368 23.60860 23.30452       42.18333 
1 1 1 -13 2  48 o 148.8828 14.03596 701.6360       121.1105 842.8145       176.9382 577.1860       166.1249 158.1898 19.48299 127.4224 23.07947 30.76739       30.20346 
1 1 1 -13 2  49 o 51.13480 22.11417 31.62488       121.6569 -51.09303      187.8784 91.35088       159.6463 53.69414 24.91854 61.32666 25.88955 -7.632515      35.93331 
1 1 1 -13 2  50 o 42.39548 19.80167 -68.46400      121.6837 18.65933       168.8920 -162.5060      175.4700 55.68677 24.97249 45.86008 22.07926 9.826683       33.33345 
1 1 1 -13 3  1  o 426.0436 13.18681 5336.803       329.0948 0.000000       0.000000 5336.803       329.0948 ?        ?        426.0436 13.18681 0.000000       13.18681 
1 1 1 -13 3  2  o 377.6140 9.985420 4188.350       220.9447 4198.233       366.9291 4182.728       276.7392 377.5034 16.61406 377.1795 12.52781 0.3239441      20.80800 
1 1 1 -13 3  3  o 338.7651 8.740067 3369.990       173.5007 3294.231       236.3185 3458.575       255.5413 334.7185 12.05807 342.9250 12.72816 -8.206543      17.53291 
1 1 1 -13 3  4  o 77.89859 21.68805 183.9058       102.7220 141.6680       139.4639 233.9920       151.8693 73.90644 25.96924 88.76047 26.87340 -14.85403      37.37086 
1 1 1 -13 3  5  o 768.6041 13.06160 17351.81       588.7755 17381.60       833.3073 17322.13       832.0029 768.6260 18.48586 767.3096 18.48859 1.316467       26.14488 
1 1 1 -13 3  6  o 1158.722 18.85462 39507.00       1281.290 38992.76       1792.665 40044.07       1832.011 1149.202 26.59820 1164.523 26.82436 -15.32117      37.77579 
1 1 1 -13 3  7  o 250.1406 9.068404 1838.683       132.8147 1976.450       186.8651 1698.039       188.8068 259.1321 12.33117 240.0495 13.46513 19.08260       18.25835 
1 1 1 -13 3  8  o 614.9711 10.96263 11103.20       395.3848 11054.35       556.3754 11153.03       561.9839 613.0592 15.48684 615.7808 15.57385 -2.721558      21.96331 
1 1 1 -13 3  9  o 242.7841 9.210608 1732.439       130.9094 1763.008       179.4425 1697.659       191.4034 244.6825 12.54656 239.9976 13.65488 4.684875       18.54378 
1 1 1 -13 3  10 o 910.5285 15.14806 24369.57       808.9114 24446.82       1146.558 24293.01       1141.406 910.8734 21.46286 908.0093 21.43381 2.864075       30.33253 
1 1 1 -13 3  11 o 889.5093 14.90438 23257.46       777.5262 23304.24       1103.222 23211.28       1095.990 889.3248 21.15202 887.5688 21.05494 1.755981       29.84491 
1 1 1 -13 3  12 o 92.79579 22.21203 264.0683       119.2734 264.2639       157.8274 263.8078       182.1261 93.60939 27.16190 94.74992 29.56606 -1.140526      40.14873 
1 1 1 -13 3  13 o 549.4650 10.50361 8864.677       338.4770 8635.692       473.6149 9103.724       483.9087 541.7617 14.92039 556.2689 14.84624 -14.50720      21.04825 
1 1 1 -13 3  14 o 738.6165 12.76895 16030.17       553.1270 15430.14       762.3965 16697.01       803.7174 723.9451 17.95663 753.0373 18.19853 -29.09222      25.56613 
1 1 1 -13 3  15 o 761.1602 12.98979 17027.28       579.8673 16695.94       809.5226 17376.44       831.0120 752.8830 18.33374 768.0515 18.44873 -15.16846      26.00926 
1 1 1 -13 3  16 o 542.2659 10.05024 8635.157       319.6238 8699.186       456.1140 8573.379       448.0271 543.6835 14.31709 539.7556 14.16551 3.927917       20.14053 
1 1 1 -13 3  17 o 216.3046 8.873234 1376.027       112.3247 1383.968       157.9835 1367.910       159.7332 216.6188 12.48849 215.3325 12.70485 1.286346       17.81503 
1 1 1 -13 3  18 o 442.4718 8.844612 5749.271       229.5170 5496.383       317.1972 6027.177       332.5167 432.1403 12.52889 452.5408 12.54077 -20.40048      17.72693 
1 1 1 -13 3  19 o 42.18697 17.72985 6.605819       74.33833 16.96663       102.2576 -5.006918      108.2595 50.38926 20.95738 49.15704 21.05458 1.232220       29.70702 
1 1 1 -13 3  20 o 372.5732 9.448641 4081.566       206.2913 4070.025       251.6943 4105.186       360.0693 371.7950 11.55705 372.6131 16.51803 -0.8180237     20.15963 
1 1 1 -13 3  21 o 402.8540 8.188484 4767.507       193.4647 4776.434       275.3089 4758.800       271.9233 402.6939 11.66952 401.9680 11.54662 0.7259216      16.41652 
1 1 1 -13 3  22 f 45.33437 17.18771 43.24836       62.84705 39.80608       87.29426 46.95249       90.55364 50.13362 19.90235 51.90150 20.37373 -1.767879      28.48144 
1 1 1 -13 3  23 o 440.2935 8.515263 5698.916       219.8826 5641.979       310.2934 5756.346       311.6329 437.3654 12.10865 441.7940 12.03866 -4.428589      17.07479 
1 1 1 -13 3  24 o 315.9714 7.448319 2933.876       138.0246 2864.329       195.6768 3002.743       194.7193 311.6669 10.72125 319.1662 10.41654 -7.499329      14.94823 
1 1 1 -13 3  25 o 155.4256 8.456560 712.6013       76.79408 841.6987       110.9501 593.8772       106.3992 168.5969 11.28590 141.2248 12.99175 27.37206       17.20921 
1 1 1 -13 3  26 o 116.2100 10.40205 401.1460       70.14558 455.9166       101.6811 351.4115       96.89367 123.2958 14.32839 107.7429 15.80358 15.55286       21.33204 
1 1 1 -13 3  27 o 150.3605 8.639192 667.6033       75.86217 688.5054       110.7519 649.1278       104.1251 152.1322 12.52389 147.7564 12.12247 4.375809       17.42992 
1 1 1 -13 3  28 o 113.0575 11.13581 380.8162       72.87913 330.1501       106.2936 425.7649       100.1168 103.7903 18.12119 118.9649 14.65921 -15.17457      23.30816 
1 1 1 -13 3  29 o 167.6688 8.916986 830.1223       87.36880 791.2154       125.8472 866.3217       121.3896 162.9846 13.28079 170.7912 12.19930 -7.806564      18.03336 
1 1 1 -13 3  30 o 40.04628 17.34585 -9.201498      75.08438 -5.637097      107.9965 -12.53643      104.4623 48.68172 20.94278 47.11603 20.43371 1.565685       29.25981 
1 1 1 -13 3  31 o 323.4754 11.61777 3094.076       220.0436 3379.722       364.3221 2930.033       276.0903 335.9680 18.56215 313.8858 15.04162 22.08218       23.89150 
1 1 1 -13 3  32 o 281.4996 7.324801 2332.253       120.8245 2455.225       317.0520 2311.360       130.6862 285.8714 19.01893 280.1414 7.962377 5.729980       20.61842 
1 1 1 -13 3  33 f 61.74586 19.51682 113.1959       79.10939 342.1815       241.0532 85.55646       83.74781 104.9995 34.15725 56.84608 20.11106 48.15343       39.63802 
1 1 1 -13 3  34 f 172.5190 9.507435 880.9459       95.82271 651.2185       274.9506 912.7056       102.2321 140.8953 33.72373 175.5299 9.971853 -34.63455      35.16714 
1 1 1 -13 3  35 o 104.8994 15.26661 335.1425       91.16772 306.7697       274.6916 338.6548       96.64584 101.6175 36.37284 105.2272 16.17767 -3.609688      39.80830 
1 1 1 -13 3  36 o 126.1233 12.50988 477.3052       91.31533 751.0419       276.6281 443.8291       96.73792 150.9215 32.23307 121.2603 13.85092 29.66118       35.08303 
1 1 1 -13 3  37 o 126.7290 12.13222 481.8368       89.07124 505.6968       123.0096 455.5369       129.1459 128.6051 16.70336 121.3124 18.75649 7.292610       25.11590 
1 1 1 -13 3  38 o 165.1373 9.976006 811.4979       96.16615 636.3943       132.7978 1004.568       139.4444 144.4607 15.93907 182.8870 13.08724 -38.42627      20.62352 
1 1 1 -13 3  39 o 342.6087 7.197670 3466.590       144.6241 3488.353       201.6345 3443.531       207.5527 342.3916 10.05221 339.9987 10.42110 2.392975       14.47917 
1 1 1 -13 3  40 f 44.31432 18.61320 16.14734       81.85673 19.15917       110.4682 12.47990       121.9001 50.65093 21.46648 52.07049 22.32284 -1.419559      30.96965 
1 1 1 -13 3  41 o 66.24025 20.23673 140.9242       85.85876 12.34624       121.5947 268.7770       121.2513 51.66615 22.22437 89.61692 22.96676 -37.95077      31.95927 
1 1 1 -13 3  42 o 93.78313 17.13272 281.1244       90.76138 186.0766       122.7062 395.9428       134.8656 74.92995 24.36987 109.2673 21.81003 -34.33734      32.70425 
1 1 1 -13 3  43 o 47.85851 20.00096 28.82775       93.79569 -102.7720      133.6590 156.5164       131.6579 43.94044 20.59759 70.15818 25.17310 -26.21774      32.52608 
1 1 1 -13 3  44 o 51.85701 20.74484 58.37015       95.56021 24.90015       131.9929 95.23699       138.5290 53.60472 23.10762 62.06647 24.92637 -8.461750      33.98950 
1 1 1 -13 3  45 o 133.8772 12.43669 553.4611       96.53117 633.0919       134.7983 469.6388       138.3005 140.5663 16.67584 118.1961 20.70543 22.37012       26.58568 
1 1 1 -13 3  46 o 60.55231 22.24219 114.2022       103.6018 171.6012       142.8199 50.45333       150.5126 70.93233 26.10474 57.78218 24.78870 13.15015       35.99913 
1 1 1 -13 3  47 o 47.76431 20.46972 24.00569       102.4361 74.73364       143.9518 -28.03250      145.7989 58.94218 24.71550 50.08505 22.75966 8.857136       33.59848 
1 1 1 -13 3  48 o 116.6975 17.25153 449.2362       114.5162 470.0776       161.0464 427.9203       162.8696 112.8922 24.98551 106.2914 26.27777 6.600830       36.26013 
1 1 1 -13 3  49 o 61.70833 23.31963 123.6399       115.4684 42.79305       161.0601 209.1394       165.6297 57.08894 25.05280 74.41483 27.97112 -17.32589      37.55031 
1 1 1 -13 3  50 o 63.76917 24.48564 136.4025       128.5904 229.2763       176.2335 30.65716       188.0497 76.13503 28.80089 58.52692 26.29007 17.60812       38.99562 
1 1 1 -13 4  1  o 714.0449 17.49868 14995.20       732.7932 16180.09       1082.677 13993.53       995.4599 740.1771 24.97672 688.3444 24.69858 51.83264       35.12630 
1 1 1 -13 4  2  o 643.0916 13.14128 12147.60       495.6338 12523.83       863.8771 11962.99       605.1375 651.5193 22.64305 637.7069 16.19324 13.81238       27.83754 
1 1 1 -13 4  3  o 703.2529 12.19153 14523.39       502.8292 14362.06       702.9957 14692.38       719.5074 698.8447 17.15227 706.8115 17.35726 -7.966736      24.40235 
1 1 1 -13 4  4  o 797.0327 13.49047 18661.11       630.5995 18691.28       891.8555 18630.95       891.7493 796.9756 19.08090 795.6841 19.10960 1.291504       27.00477 
1 1 1 -13 4  5  o 603.6019 10.88959 10695.97       385.4898 10797.08       546.4655 10595.81       543.8735 605.9080 15.39066 600.2218 15.46313 5.686218       21.81699 
1 1 1 -13 4  6  o 152.6899 12.26969 689.0616       108.9497 738.4164       147.8443 630.4064       161.1735 157.6594 16.22065 145.0797 19.43055 12.57965       25.31118 
1 1 1 -13 4  7  o 359.2498 8.542453 3787.269       179.9823 3811.658       251.0481 3761.477       258.1679 360.0869 11.90410 357.6740 12.32576 2.412903       17.13569 
1 1 1 -13 4  8  o 333.6493 8.616093 3268.987       168.4564 3329.638       235.4717 3205.405       241.0944 336.5154 11.95015 330.1294 12.47483 6.386017       17.27505 
1 1 1 -13 4  9  o 619.1788 11.06802 11256.41       401.9170 11352.07       570.3205 11162.02       566.4919 621.2161 15.66651 615.9875 15.69369 5.228638       22.17502 
1 1 1 -13 4  10 o 359.2516 9.002236 3790.203       189.5211 3755.356       264.6213 3826.900       271.5599 357.3366 12.64684 360.7110 12.85733 -3.374390      18.03479 
1 1 1 -13 4  11 o 424.4326 9.488999 5287.686       236.1999 5122.353       328.8466 5463.886       339.4814 417.3215 13.45364 431.0241 13.44607 -13.70261      19.02097 
1 1 1 -13 4  12 o 441.2943 9.667493 5716.604       250.2031 5589.269       351.9283 5846.746       355.7845 435.8967 13.78372 445.8495 13.62254 -9.952850      19.37948 
1 1 1 -13 4  13 o 435.1923 9.486365 5559.685       242.1205 5277.726       331.7943 5880.854       354.1148 423.5791 13.37299 447.1353 13.51928 -23.55615      19.01599 
1 1 1 -13 4  14 o 1156.506 18.87637 39397.98       1280.316 38826.18       1791.633 39994.70       1830.264 1145.521 26.66831 1162.562 26.84399 -17.04150      37.83912 
1 1 1 -13 4  15 o 749.9153 12.81842 16527.60       563.7640 16111.03       783.6693 16974.43       811.6312 739.5953 18.06709 759.1240 18.23037 -19.52869      25.66644 
1 1 1 -13 4  16 o 455.1416 9.183764 6082.076       245.1420 5904.765       344.0703 6264.877       349.3564 447.9802 13.11008 461.4716 12.92114 -13.49139      18.40734 
1 1 1 -13 4  17 o 457.3541 9.108911 6142.186       244.3259 6168.780       350.0303 6116.917       341.1971 457.8279 13.04957 455.9324 12.77269 1.895477       18.26015 
1 1 1 -13 4  18 o 526.5019 14.21078 8165.586       438.4006 7733.098       619.4291 8599.650       620.5567 511.0539 20.70975 539.2236 19.65574 -28.16971      28.55244 
1 1 1 -13 4  19 o 641.2267 11.20301 12089.31       421.3054 11667.51       583.3726 12549.13       609.0908 628.9116 15.82892 652.4228 15.91851 -23.51123      22.44891 
1 1 1 -13 4  20 o 191.3658 9.917234 1079.267       110.9229 1035.492       135.6971 1167.419       192.5652 187.1609 12.43295 198.1735 16.72441 -11.01253      20.83948 
1 1 1 -13 4  21 o 506.3021 9.362730 7534.978       278.0115 7331.477       389.8890 7745.470       396.5304 498.6268 13.34460 512.5513 13.20232 -13.92450      18.77178 
1 1 1 -13 4  22 o 494.1155 9.172689 7178.218       265.8127 7193.152       379.1898 7163.789       372.7253 493.7854 13.10545 492.8205 12.90695 0.9649658      18.39408 
1 1 1 -13 4  23 o 626.5073 10.89845 11558.30       400.4435 11727.78       573.6618 11397.25       559.2390 629.7261 15.53294 620.8474 15.35897 8.878784       21.84422 
1 1 1 -13 4  24 o 263.3747 7.303131 2039.880       112.6975 1994.198       161.3893 2083.354       157.4407 259.9953 10.60649 265.8240 10.11732 -5.828735      14.65803 
1 1 1 -13 4  25 o 332.5110 7.610189 3250.205       148.4062 2979.627       203.9776 3554.524       216.3221 317.7607 10.96182 347.1589 10.63738 -29.39816      15.27466 
1 1 1 -13 4  26 o 211.1642 7.594161 1312.821       93.89507 1258.765       133.1768 1366.250       132.4020 206.2990 11.04759 215.0319 10.53086 -8.732864      15.26265 
1 1 1 -13 4  27 o 73.78194 15.85307 167.7038       66.55315 171.6432       97.28214 164.2379       91.24812 74.68673 21.21729 73.03200 20.48047 1.654732       29.48937 
1 1 1 -13 4  28 o 208.6074 7.883611 1282.038       96.27715 1256.006       138.9063 1306.106       133.5637 205.9267 11.54788 210.1226 10.87541 -4.195892      15.86278 
1 1 1 -13 4  29 o 199.3935 8.417359 1172.240       98.21085 1068.476       140.7833 1270.607       137.0733 189.6652 12.73020 207.1605 11.32532 -17.49527      17.03880 
1 1 1 -13 4  30 o 243.6106 8.114947 1748.129       115.7780 1823.622       169.5882 1682.227       158.4484 248.2294 11.68186 238.4504 11.36294 9.779007       16.29669 
1 1 1 -13 4  31 o 242.8457 7.786591 1736.681       110.7558 1648.059       297.1121 1750.984       119.3590 233.1394 21.98946 243.7660 8.361318 -10.62659      23.52548 
1 1 1 -13 4  32 o 202.1089 8.221250 1204.391       97.24477 1581.387       274.8590 1150.449       103.9694 228.5788 20.72843 197.4147 9.003680 31.16400       22.59942 
1 1 1 -13 4  33 o 64.58613 19.15236 127.1178       77.74310 363.9220       233.4890 97.59128       82.44755 107.3103 33.47517 58.94356 20.00069 48.36679       38.99506 
1 1 1 -13 4  34 o 54.01550 19.84693 71.56119       82.49935 -88.66655      250.3396 91.08247       87.38058 67.35292 30.28747 58.25090 20.54852 9.102016       36.60017 
1 1 1 -13 4  35 o 95.39130 16.68487 280.2621       89.94560 367.9124       267.7856 269.1159       95.49355 107.6570 36.04441 93.07050 18.14706 14.58648       40.35486 
1 1 1 -13 4  36 o 220.8391 8.408484 1441.148       108.7052 1191.411       286.3022 1483.215       117.5045 194.5541 25.72144 223.9271 8.965530 -29.37305      27.23919 
1 1 1 -13 4  37 o 191.0938 9.629638 1083.278       107.5734 933.8694       311.0958 1103.569       114.6457 167.5980 32.82500 192.7506 10.17778 -25.15257      34.36666 
1 1 1 -13 4  38 o 83.36136 19.63094 220.7541       94.37828 228.3238       130.2978 212.3993       136.8880 84.29773 24.74196 81.84547 25.64634 2.452263       35.63564 
1 1 1 -13 4  39 o 73.10742 19.78307 170.9774       86.86739 172.6532       120.7967 169.1828       125.0097 74.19614 24.18289 73.84965 24.62537 0.3464890      34.51407 
1 1 1 -13 4  40 o 145.2251 10.86673 634.2443       91.88204 701.5615       129.5658 566.1420       130.3191 151.2263 14.79792 134.8221 16.84826 16.40419       22.42415 
1 1 1 -13 4  41 o 130.8794 12.16581 520.8941       92.31275 589.3188       125.9503 441.4738       135.6933 137.6206 15.89694 116.6180 20.59277 21.00266       26.01490 
1 1 1 -13 4  42 o 159.5735 10.37854 767.0897       96.60172 902.7273       138.8125 639.7119       134.5196 171.3970 13.92936 142.8576 16.34997 28.53943       21.47903 
1 1 1 -13 4  43 o 129.2877 13.41233 516.2977       100.2221 464.8495       141.0372 568.7775       142.4443 118.4052 21.08309 132.6893 18.83295 -14.28403      28.26971 
1 1 1 -13 4  44 o 82.74796 20.32554 231.1282       97.91285 14.60509       147.7284 400.7638       130.7587 54.98676 24.06558 109.0858 21.20261 -54.09901      32.07339 
1 1 1 -13 4  45 o 45.03495 19.55874 6.159644       95.98533 169.5722       127.2618 -209.4612      146.1844 70.73050 24.81078 40.00384 19.47002 30.72666       31.53817 
1 1 1 -13 4  46 f 86.48627 20.45690 257.0829       102.1256 249.1291       143.6459 265.2121       145.2218 82.05901 26.34026 84.45393 26.40841 -2.394928      37.29897 
1 1 1 -13 4  47 o 126.9069 15.01169 514.6478       109.5682 333.9040       151.7089 711.7220       158.4143 93.88905 26.43575 146.1631 18.92392 -52.27407      32.51098 
1 1 1 -13 4  48 o 132.3889 14.66508 559.9506       111.9568 586.7811       154.4111 530.2116       162.5651 130.4142 20.89361 121.3127 23.69943 9.101471       31.59439 
1 1 1 -13 4  49 o 43.18171 19.86140 -44.94529      115.5286 143.7619       161.4803 -242.8121      165.3529 66.76345 26.87749 41.07219 20.14225 25.69127       33.58734 
1 1 1 -13 5  1  o 336.3094 10.06169 3322.829       198.2311 3492.265       322.5910 3220.032       251.2692 344.3050 16.01956 330.8547 12.97461 13.45032       20.61472 
1 1 1 -13 5  2  o 540.8864 11.67787 8590.181       370.4419 8231.301       602.1425 8808.722       469.8857 528.4982 19.46021 547.3229 14.65173 -18.82465      24.35925 
1 1 1 -13 5  3  o 425.6859 10.24401 5319.101       255.7467 5192.541       413.6548 5397.413       325.3887 419.8965 16.83163 428.4830 12.96338 -8.586487      21.24507 
1 1 1 -13 5  4  o 235.0676 9.301098 1624.224       127.9733 1575.429       169.1854 1689.476       195.6481 231.2752 12.52004 239.3977 13.99599 -8.122482      18.77869 
1 1 1 -13 5  5  o 824.5529 13.87972 19974.25       671.1967 20015.05       950.9714 19933.76       947.4692 824.6183 19.66364 822.9471 19.63101 1.671204       27.78552 
1 1 1 -13 5  6  o 93.42278 18.75828 265.9596       99.20331 239.4806       127.4473 306.6668       158.0212 88.65094 23.95100 100.1459 26.49804 -11.49497      35.71829 
1 1 1 -13 5  7  o 775.1703 13.19047 17650.95       599.6637 17345.05       835.9941 17975.16       860.6482 767.7713 18.56611 781.5621 18.77637 -13.79083      26.40554 
1 1 1 -13 5  8  o 474.4333 9.505582 6606.492       264.4870 6614.940       372.7975 6597.930       375.2973 474.3315 13.41457 473.7108 13.52248 0.6207886      19.04752 
1 1 1 -13 5  9  o 692.6670 12.09818 14090.75       491.4677 13994.14       690.8617 14189.72       699.2955 689.7652 17.07809 694.5574 17.16730 -4.792236      24.21523 
1 1 1 -13 5  10 o 734.0450 12.70719 15827.82       547.0445 15735.37       770.8784 15921.62       776.4270 731.2623 17.97472 735.5740 17.99798 -4.311707      25.43654 
1 1 1 -13 5  11 o 348.1245 9.159609 3559.547       186.8463 3566.336       257.6851 3552.021       271.3233 348.2016 12.63948 347.4401 13.34026 0.7615051      18.37713 
1 1 1 -13 5  12 o 403.8829 9.426744 4788.281       223.2892 5001.182       318.0819 4581.438       313.5246 412.3529 13.16972 394.6136 13.56736 17.73932       18.90807 
1 1 1 -13 5  13 f 269.1526 9.650153 2129.455       152.0827 2155.738       207.5085 2098.954       223.5400 270.5356 13.11769 266.8238 14.33765 3.711731       19.43301 
1 1 1 -13 5  14 o 735.5116 12.71091 15896.88       548.2982 15295.20       757.2525 16559.94       794.9413 720.7126 17.91547 749.8902 18.07536 -29.17761      25.44960 
1 1 1 -13 5  15 o 289.2034 11.21449 2460.558       189.8495 2664.931       253.0312 2197.309       287.1736 300.6890 14.39025 272.5311 18.06913 28.15793       23.09920 
1 1 1 -13 5  16 o 286.9638 8.485098 2419.529       142.6452 2316.479       197.7070 2531.417       206.0108 280.4953 12.04646 293.2465 12.00399 -12.75125      17.00626 
1 1 1 -13 5  17 o 512.2618 9.683206 7707.421       290.9120 7686.612       412.8906 7727.935       409.9486 510.9601 13.79097 512.3527 13.65517 -1.392670      19.40759 
1 1 1 -13 5  18 o 101.5097 19.36372 314.3622       111.0728 186.7340       276.7968 338.8579       121.2644 94.03447 35.97010 105.3201 20.36905 -11.28566      41.33699 
1 1 1 -13 5  19 o 538.7697 9.891438 8530.289       312.5454 8318.325       438.5364 8749.097       445.5592 531.2614 14.08738 544.8786 13.95445 -13.61719      19.82879 
1 1 1 -13 5  20 o 252.5931 10.02485 1878.564       148.2130 1778.776       194.6722 2016.168       228.6021 245.3591 13.58154 261.0601 14.99408 -15.70102      20.23069 
1 1 1 -13 5  21 o 525.9673 9.604111 8133.446       296.2555 8300.272       427.1791 7978.856       411.2140 530.4334 13.74341 520.1116 13.49235 10.32184       19.25941 
1 1 1 -13 5  22 o 380.0270 7.999691 4243.707       178.2946 4086.568       251.1205 4403.440       253.1854 372.3383 11.51373 386.5742 11.17923 -14.23590      16.04809 
1 1 1 -13 5  23 f 248.2258 7.351535 1811.937       106.9047 1854.227       155.7233 1774.241       147.0236 250.7276 10.61413 245.3002 10.24224 5.427399       14.75003 
1 1 1 -13 5  24 o 275.3708 7.317967 2229.921       118.0793 2365.964       175.1213 2116.508       159.8943 283.2243 10.56135 267.9104 10.19497 15.31390       14.67922 
1 1 1 -13 5  25 o 291.6820 7.383292 2502.376       126.2005 2541.756       184.3571 2467.649       173.1211 293.4800 10.72908 289.2493 10.22140 4.230713       14.81858 
1 1 1 -13 5  26 o 322.2869 7.470359 3054.040       141.2000 3041.408       204.5401 3065.540       195.1635 320.9550 10.88209 322.3340 10.33722 -1.379028      15.00927 
1 1 1 -13 5  27 o 590.8684 10.46760 10294.82       362.7339 10017.19       505.8876 10588.59       520.3862 581.0300 14.85804 597.5634 14.84880 -16.53339      21.00590 
1 1 1 -13 5  28 o 173.1353 8.726077 884.7278       88.31874 799.9637       127.6300 962.6121       122.3409 163.8670 13.39722 180.1755 11.64008 -16.30843      17.74759 
1 1 1 -13 5  29 o 180.3676 8.839138 960.1481       93.21681 982.8315       138.9949 941.6063       125.6673 181.7965 13.12492 178.1113 12.10228 3.685211       17.85298 
1 1 1 -13 5  30 o 101.4683 13.95803 310.5007       80.86396 3.286302       268.4747 341.1519       84.80202 76.63177 32.99416 106.4519 13.91607 -29.82015      35.80882 
1 1 1 -13 5  31 o 272.3355 7.527242 2183.099       120.1086 2133.934       325.8297 2190.830       129.2075 265.8459 21.07048 272.7384 8.086692 -6.892578      22.56900 
1 1 1 -13 5  32 o 55.89528 19.49982 84.16128       78.54440 -1.947031      248.0418 93.75782       82.80559 73.23848 31.62464 58.31342 20.03800 14.92506       37.43848 
1 1 1 -13 5  33 o 250.6144 7.842223 1850.866       115.1227 1781.735       320.9460 1861.074       123.3298 241.4509 22.94009 251.2174 8.382560 -9.766464      24.42366 
1 1 1 -13 5  34 o 38.09724 17.23678 -43.17964      82.52528 -136.3027      246.3376 -31.40711      87.58647 63.92897 29.25447 40.70301 18.13692 23.22596       34.42051 
1 1 1 -13 5  35 o 160.4493 10.19597 764.3705       95.44746 683.3655       274.5542 775.5063       101.7969 143.7413 33.23265 161.4954 10.81016 -17.75414      34.94666 
1 1 1 -13 5  36 o 134.1817 11.93580 538.7743       92.94884 517.6224       289.2891 541.2093       98.15320 123.7606 37.00517 134.3328 12.60597 -10.57215      39.09338 
1 1 1 -13 5  37 o 203.2785 9.295671 1224.777       110.5278 950.5313       288.7369 1271.863       119.6406 170.6109 29.94851 207.0145 9.882875 -36.40363      31.53704 
1 1 1 -13 5  38 o 129.4487 11.32047 502.3983       85.07944 478.9154       110.7059 536.2775       132.9723 125.2025 15.40086 131.8056 17.64475 -6.603157      23.42058 
1 1 1 -13 5  39 o 218.5559 8.148500 1416.133       104.2628 1390.549       143.0565 1445.121       152.2746 215.4661 11.36098 219.4528 11.87564 -3.986710      16.43480 
1 1 1 -13 5  40 o 37.29084 16.99450 -44.00186      82.02731 -174.3182      113.3995 99.01470       118.7969 35.80533 17.36206 62.06229 23.60715 -26.25696      29.30424 
1 1 1 -13 5  41 o 171.7875 9.499086 883.4805       95.33009 793.8387       130.4837 986.1048       139.6131 160.8995 13.96592 179.7760 13.33669 -18.87656      19.31099 
1 1 1 -13 5  42 o 54.79425 20.52910 79.69158       89.06492 46.79538       127.8641 110.6957       124.1324 56.04459 23.38209 63.50133 24.13691 -7.456738      33.60525 
1 1 1 -13 5  43 o 159.8750 16.06436 803.7313       148.5849 0.000000       0.000000 803.7313       148.5849 ?        ?        159.8750 16.06436 0.000000       16.06436 
1 1 1 -13 5  44 f 96.06290 17.22612 299.3756       93.48428 363.6700       130.6056 231.8289       133.8682 103.0749 22.25753 80.94318 25.36163 22.13168       33.74329 
1 1 1 -13 5  45 o 69.85988 22.44558 166.7564       104.2900 204.5255       141.6814 122.0916       154.0732 76.10099 26.20853 66.02491 26.36514 10.07608       37.17536 
1 1 1 -13 5  46 f 62.59758 22.42394 127.0946       104.4254 215.0246       149.3799 43.05661       146.0366 76.86780 26.88661 56.43434 24.31644 20.43346       36.25161 
1 1 1 -13 5  47 o 66.57588 22.82994 152.7156       107.4726 130.1322       153.1045 174.6528       150.8980 65.66979 26.26237 70.89238 26.68725 -5.222588      37.44223 
1 1 1 -13 5  48 o 67.30600 22.82522 159.3626       107.3772 256.0191       156.4143 73.20969       147.6713 81.14603 27.54812 58.69488 24.84494 22.45115       37.09676 
1 1 1 -13 5  49 o 68.97731 23.31071 171.0243       111.9885 54.67363       155.5934 296.0861       161.3129 57.49347 24.93617 86.06368 27.93817 -28.57021      37.44801 
1 1 1 -13 6  1  f 519.1087 14.29477 7923.458       434.7829 0.000000       0.000000 7923.458       434.7829 ?        ?        519.1087 14.29477 0.000000       14.29477 
1 1 1 -13 6  2  o 348.9026 9.909464 3575.926       202.5651 3407.228       312.4241 3698.276       266.0678 340.1076 15.70550 354.6210 12.81421 -14.51340      20.26985 
1 1 1 -13 6  3  o 602.0477 12.47105 10644.76       440.3362 10028.54       710.9929 11028.19       560.8420 583.2119 20.82024 612.3343 15.62992 -29.12244      26.03415 
1 1 1 -13 6  4  o 648.3381 13.11830 12346.74       498.8037 12197.88       839.7764 12427.88       620.0281 643.0193 22.30217 649.9690 16.27834 -6.949707      27.61107 
1 1 1 -13 6  5  o 358.8021 8.797613 3777.996       185.1273 3632.496       253.1069 3945.382       271.4762 351.4834 12.29754 366.2978 12.65610 -14.81439      17.64671 
1 1 1 -13 6  6  o 256.1774 8.996954 1928.354       134.9622 1909.546       180.9696 1951.924       202.5849 254.7088 12.14968 257.4179 13.46575 -2.709045      18.13674 
1 1 1 -13 6  7  o 374.9781 8.918160 4126.520       196.1245 3965.157       268.0317 4312.483       287.7395 367.2217 12.46342 382.9551 12.82964 -15.73343      17.88677 
1 1 1 -13 6  8  o 48.04770 20.35903 2.510587       99.32985 70.32797       125.0260 -113.5529      163.5602 61.90872 24.04385 52.09383 23.83829 9.814888       33.85809 
1 1 1 -13 6  9  o 526.9620 10.22031 8151.992       315.8593 8071.900       444.5680 8233.634       448.8478 523.8738 14.48365 529.1006 14.47834 -5.226807      20.47922 
1 1 1 -13 6  10 f 817.9619 13.89508 19661.14       666.5683 19570.74       938.8685 19753.02       946.5181 815.2177 19.63725 818.9930 19.70599 -3.775391      27.81991 
1 1 1 -13 6  11 f 346.0284 9.557172 3517.436       193.7651 3703.025       271.2081 3323.932       276.9320 354.7760 13.05688 336.0058 14.08445 18.77020       19.20557 
1 1 1 -13 6  12 o 773.9253 13.30659 17601.00       603.9714 17345.86       846.8504 17865.13       861.6303 767.4855 18.81421 778.8802 18.86252 -11.39471      26.64149 
1 1 1 -13 6  13 o 626.4181 11.33529 11525.31       416.4353 11463.61       591.2852 11586.05       586.5995 624.0090 16.17043 627.3676 15.95592 -3.358521      22.71727 
1 1 1 -13 6  14 o 190.9934 19.80617 1086.658       218.6383 991.3898       372.9016 1136.564       269.8965 179.1180 36.73191 194.6584 24.15973 -15.54041      43.96505 
1 1 1 -13 6  15 o 376.1227 8.665955 4152.880       191.1598 4317.444       277.1433 4003.537       264.0157 383.0914 12.35150 368.8999 12.21998 14.19150       17.37490 
1 1 1 -13 6  16 o 283.6901 8.376001 2364.699       139.2052 2381.075       197.6491 2348.580       196.0920 284.3861 11.87662 282.4367 11.86470 1.949432       16.78765 
1 1 1 -13 6  17 o 599.0104 10.71852 10543.81       376.5474 10657.07       539.8643 10436.51       525.4645 601.3721 15.31950 595.1603 15.06635 6.211731       21.48679 
1 1 1 -13 6  18 o 543.8796 9.996446 8691.895       318.8592 8952.639       465.4031 8461.228       437.7373 551.1847 14.40968 535.9186 13.93905 15.26611       20.04834 
1 1 1 -13 6  19 o 441.6964 8.802942 5731.159       228.0354 5917.262       334.0917 5568.834       312.0201 448.1978 12.72287 434.8638 12.24648 13.33401       17.65921 
1 1 1 -13 6  20 f 364.5830 10.78243 3912.925       230.2959 3911.441       316.4293 3914.596       335.8092 363.8808 14.85873 363.8586 15.77402 0.2212524E-01  21.67029 
1 1 1 -13 6  21 o 158.1075 8.626202 736.8199       79.68457 718.1994       113.4812 754.9307       111.9171 155.6407 12.53829 159.6618 12.04085 -4.021118      17.38363 
1 1 1 -13 6  22 o 277.5623 7.457403 2264.965       121.2844 2246.124       173.4550 2282.989       169.6522 276.0233 10.73543 278.3264 10.41168 -2.303101      14.95502 
1 1 1 -13 6  23 o 364.4283 7.829235 3903.379       167.3331 3768.328       235.8902 4040.172       237.4066 357.4556 11.26626 370.1948 10.94685 -12.73920      15.70867 
1 1 1 -13 6  24 o 444.2378 8.672069 5804.852       225.9377 5700.960       322.2171 5905.342       316.8976 439.3372 12.51823 447.2562 12.09235 -7.918945      17.40491 
1 1 1 -13 6  25 o 314.3402 7.557171 2904.951       139.3188 2963.723       203.9316 2853.516       190.7785 316.8629 10.99058 311.0033 10.47452 5.859619       15.18250 
1 1 1 -13 6  26 o 230.5016 7.581874 1564.072       102.3552 1608.028       153.0066 1528.469       137.7039 233.1888 11.22091 227.4779 10.34893 5.710938       15.26464 
1 1 1 -13 6  27 o 377.8296 8.025136 4200.059       177.8275 4302.415       260.9355 4111.293       242.9940 381.5253 11.67537 373.0851 11.11788 8.440216       16.12208 
1 1 1 -13 6  28 o 319.0224 9.239469 3000.329       172.6875 3220.254       367.2995 2937.921       195.6613 327.6942 19.19584 315.4214 10.59204 12.27274       21.92422 
1 1 1 -13 6  29 o 84.24716 16.82153 218.4247       80.20150 -422.9616      262.5702 284.4224       84.22680 54.28751 26.34633 96.74757 15.35677 -42.46006      30.49524 
1 1 1 -13 6  30 o 196.7834 8.369441 1141.699       96.37012 1356.302       305.8852 1118.050       101.5412 210.2311 25.31816 194.6593 8.918091 15.57178       26.84290 
1 1 1 -13 6  31 o 190.4270 8.741208 1069.969       97.36224 752.8492       292.2286 1109.565       103.2620 153.0062 33.49691 193.8752 9.107163 -40.86902      34.71288 
1 1 1 -13 6  32 o 161.5610 9.594176 772.2533       90.49712 379.6733       276.2372 819.4532       95.78297 110.7181 36.59607 166.4014 9.858974 -55.68326      37.90081 
1 1 1 -13 6  33 f 187.8748 8.999056 1042.912       98.86704 1197.753       287.1679 1022.091       105.3047 196.5059 25.52003 185.8729 9.693594 10.63301       27.29904 
1 1 1 -13 6  34 o 236.0845 7.910898 1643.981       109.3780 1723.620       309.9163 1632.650       116.9004 236.9503 22.57408 235.1645 8.489990 1.785812       24.11782 
1 1 1 -13 6  35 o 209.7426 8.608748 1300.194       105.6704 1102.724       297.6756 1328.665       113.0319 186.1590 28.14280 211.9306 9.115355 -25.77159      29.58220 
1 1 1 -13 6  36 o 173.5504 9.774861 893.6860       99.08951 1078.314       297.7383 870.6893       105.0796 183.3248 28.62789 171.1369 10.52030 12.18790       30.49972 
1 1 1 -13 6  37 o 227.0937 8.669121 1526.240       115.2477 1912.726       348.6198 1478.820       122.1133 246.9060 24.39359 223.3676 9.342261 23.53839       26.12135 
1 1 1 -13 6  38 o 321.1753 7.866270 3047.559       148.1704 2793.132       365.7762 3097.504       162.0626 300.1601 20.90913 323.4683 8.550304 -23.30820      22.58981 
1 1 1 -13 6  39 o 54.00180 19.70391 77.15838       81.09695 72.26507       107.9697 83.49250       122.8410 57.21227 22.30865 60.88341 23.77951 -3.671146      32.60585 
1 1 1 -13 6  40 o 200.6446 8.414557 1197.572       98.79711 1302.294       133.9655 1072.701       146.2865 208.2090 11.01006 187.8387 13.36644 20.37029       17.31713 
1 1 1 -13 6  41 o 149.4375 10.51894 672.6312       91.60065 844.9429       126.7625 484.3264       132.5147 166.4127 13.09374 122.9776 18.98376 43.43508       23.06142 
1 1 1 -13 6  42 o 129.7925 12.78564 516.3490       96.06229 628.9955       136.7040 406.4657       135.0169 141.2581 16.83199 110.6991 21.57227 30.55898       27.36199 
1 1 1 -13 6  43 o 182.6874 9.427214 1003.162       100.6633 976.6282       140.2034 1031.394       144.6180 177.9723 13.53394 182.8877 13.57992 -4.915421      19.17243 
1 1 1 -13 6  44 o 90.56410 19.59149 274.0427       101.0277 307.8739       141.5216 238.8859       144.2676 92.77011 25.31259 81.73902 26.41183 11.03109       36.58294 
1 1 1 -13 6  45 f 77.35755 21.68381 207.2727       102.3099 40.52295       145.3573 370.9863       144.0280 56.53251 24.30815 102.0108 24.40240 -45.47833      34.44363 
1 1 1 -13 6  46 o 79.27888 22.09125 221.5027       106.5274 104.4119       153.9904 328.9644       147.5227 63.38249 25.97486 94.11678 25.90975 -30.73429      36.68799 
1 1 1 -13 6  47 o 110.4925 18.21199 406.5831       113.9079 318.5730       157.9616 501.9279       164.4122 90.82038 27.38778 117.5455 24.63859 -26.72511      36.83952 
1 1 1 -13 6  48 o 162.4043 12.63977 824.1498       119.4418 904.0858       173.6618 752.3912       164.5395 164.8578 18.26779 149.3623 19.22924 15.49545       26.52312 
1 1 1 -13 6  49 f 84.93119 23.45118 266.5496       120.6510 445.4936       164.4971 58.20718       177.4959 107.8841 26.25160 59.97950 26.31129 47.90459       37.16760 
1 1 1 -13 7  1  o 818.8299 27.77817 19831.04       1332.044 0.000000       0.000000 19831.04       1332.044 ?        ?        818.8299 27.77817 0.000000       27.77817 
1 1 1 -13 7  2  o 868.5938 29.23767 22332.92       1487.273 0.000000       0.000000 22332.92       1487.273 ?        ?        868.5938 29.23767 0.000000       29.23767 
1 1 1 -13 7  3  o 314.7032 9.848681 2909.782       181.5494 2620.026       262.3699 3175.974       251.4757 298.2025 15.05077 328.5654 13.07651 -30.36285      19.93792 
1 1 1 -13 7  4  o 454.6021 10.52706 6066.818       280.6656 6063.937       455.2427 6068.585       356.4731 453.7625 17.13740 454.3178 13.39340 -0.5552368     21.75026 
1 1 1 -13 7  5  o 199.6948 10.87496 1174.224       126.8828 1209.027       171.6107 1132.255       188.4473 202.3168 14.56050 195.5329 16.58956 6.783966       22.07310 
1 1 1 -13 7  6  o 839.2199 14.15879 20694.79       696.8710 20596.11       980.6827 20795.45       990.4387 836.3670 19.99314 840.3871 20.09545 -4.020142      28.34701 
1 1 1 -13 7  7  o 513.1160 10.01806 7728.686       301.4739 7572.779       420.4039 7893.733       432.5526 507.4555 14.13975 518.0944 14.24925 -10.63889      20.07421 
1 1 1 -13 7  8  f 927.2775 15.47677 25278.36       841.6675 25319.49       1192.150 25237.48       1188.453 926.8411 21.93185 925.3459 21.89916 1.495178       30.99321 
1 1 1 -13 7  9  o 224.9298 10.68665 1488.787       140.5709 1513.942       185.6980 1455.028       215.1276 226.5420 14.04589 221.7980 16.65995 4.744034       21.79085 
1 1 1 -13 7  10 o 352.1835 9.658068 3643.690       199.2965 3762.543       277.6103 3517.293       286.2854 357.6046 13.25973 345.6545 14.15226 11.95013       19.39348 
1 1 1 -13 7  11 o 402.8900 9.582235 4765.007       226.4143 4796.237       315.3474 4731.778       325.2799 403.7850 13.33474 401.0090 13.85176 2.776001       19.22724 
1 1 1 -13 7  12 o 412.3975 9.566393 4992.804       231.3741 5176.302       332.6127 4820.758       322.0669 419.4526 13.53863 404.7707 13.58634 14.68192       19.18028 
1 1 1 -13 7  13 o 309.2134 9.183899 2809.302       166.3621 2798.462       232.0045 2820.776       238.6805 308.3222 12.85865 309.5209 13.17867 -1.198761      18.41256 
1 1 1 -13 7  14 o 604.9896 12.68606 10756.92       450.1169 10866.98       554.4786 10544.22       770.8040 607.5352 15.57475 597.2344 22.04421 10.30084       26.99111 
1 1 1 -13 7  15 o 563.6639 10.34675 9331.885       342.0381 9578.681       497.3270 9110.373       471.1627 570.3805 14.87983 556.3170 14.45327 14.06354       20.74382 
1 1 1 -13 7  16 o 412.2715 8.700625 4990.568       210.3702 5000.548       304.0807 4981.407       291.3447 412.2006 12.59330 411.4691 12.08621 0.7314148      17.45473 
1 1 1 -13 7  17 o 475.2453 10.89012 6638.170       303.5295 6600.960       373.2433 6710.831       521.5695 473.4381 13.45610 476.4216 18.70315 -2.983551      23.04071 
1 1 1 -13 7  18 o 222.7355 8.365295 1459.027       109.0809 1372.755       152.2958 1549.907       156.3099 215.6897 12.08785 229.2719 11.66311 -13.58214      16.79715 
1 1 1 -13 7  19 o 406.9014 8.476234 4863.542       202.2752 4749.902       289.1947 4972.386       283.0258 401.5495 12.29455 410.9342 11.75573 -9.384644      17.01039 
1 1 1 -13 7  20 f 321.5732 10.21517 3044.068       192.4087 3057.353       263.6305 3028.926       281.4574 321.7323 14.00529 320.0544 15.03675 1.677826       20.54877 
1 1 1 -13 7  21 o 437.7039 8.668010 5631.094       222.5104 5632.635       319.0818 5629.636       310.4501 437.0469 12.46140 436.9955 12.12507 0.5145264E-01  17.38689 
1 1 1 -13 7  22 o 221.8546 7.592113 1447.897       98.63731 1468.505       141.5137 1428.424       137.5588 223.0636 10.84985 220.0117 10.69288 3.051926       15.23342 
1 1 1 -13 7  23 o 53.43475 18.23390 78.16374       68.53763 77.07333       93.31216 79.44115       100.9970 57.11441 21.08640 58.74840 21.89104 -1.633987      30.39497 
1 1 1 -13 7  24 o 281.7917 7.532648 2335.748       124.3761 2201.173       177.3098 2466.111       174.5122 273.0467 11.09560 289.1685 10.30669 -16.12177      15.14399 
1 1 1 -13 7  25 o 66.36517 17.06726 135.8284       66.79995 108.9373       96.27026 160.7973       92.76597 62.90855 21.60620 72.45058 20.76373 -9.542023      29.96599 
1 1 1 -13 7  26 o 121.8409 10.77141 441.1865       76.17708 400.6262       111.6648 476.4951       104.1851 114.8563 17.09764 126.0406 14.34956 -11.18433      22.32127 
1 1 1 -13 7  27 o 167.4158 8.204208 826.7268       80.30804 897.5419       272.0784 819.9684       84.05291 169.4256 28.38508 166.6767 8.627961 2.748932       29.66740 
1 1 1 -13 7  28 o 77.26305 16.33643 184.0195       71.70753 -63.91543      278.4984 201.6236       74.20959 73.58704 32.59034 80.97605 16.19240 -7.389008      36.39126 
1 1 1 -13 7  29 o 511.5896 8.762302 7705.422       262.8999 8118.891       643.1146 7622.463       288.0692 519.7720 21.14133 508.6108 9.657412 11.16116       23.24266 
1 1 1 -13 7  30 o 225.5654 8.571545 1499.852       113.1856 0.000000       0.000000 1499.852       113.1856 ?        ?        225.5654 8.571545 0.000000       8.571545 
1 1 1 -13 7  31 o 512.5260 8.824132 7735.977       265.2397 7386.731       607.0552 7818.382       294.8758 495.5294 20.93572 515.0016 9.762924 -19.47229      23.10019 
1 1 1 -13 7  32 o 341.8802 7.585932 3439.511       152.1015 3190.694       380.3747 3486.869       165.9463 325.3167 20.03395 344.1202 8.222556 -18.80347      21.65570 
1 1 1 -13 7  33 o 203.9994 8.511341 1228.449       101.6067 987.2206       295.0238 1260.912       108.2278 176.3375 29.57343 206.6098 8.953020 -30.27229      30.89894 
1 1 1 -13 7  34 o 197.8557 8.704939 1156.920       100.7628 851.6248       293.3592 1197.756       107.2904 161.7471 32.05856 201.2494 9.113898 -39.50226      33.32888 
1 1 1 -13 7  35 o 235.9010 8.274338 1643.421       114.2985 1641.309       322.3443 1643.725       122.2413 229.7559 24.28960 235.8024 8.855058 -6.046463      25.85337 
1 1 1 -13 7  36 o 192.8369 9.225306 1101.547       104.0303 808.5363       304.4716 1140.275       110.6920 155.2529 34.34995 196.1118 9.653808 -40.85886      35.68074 
1 1 1 -13 7  37 o 284.7903 8.143655 2397.139       135.8779 2702.807       382.6540 2353.036       145.3503 295.1483 22.27057 281.9706 8.800222 13.17776       23.94624 
1 1 1 -13 7  38 o 49.48187 19.75387 42.83354       86.46795 325.4995       312.1737 19.34487       89.98888 101.9348 38.38233 46.90730 19.59623 55.02753       43.09542 
1 1 1 -13 7  39 f 89.92950 21.90249 264.1118       114.4285 327.0638       292.3377 252.7215       124.3504 99.30984 37.19578 87.53269 23.66221 11.77715       44.08431 
1 1 1 -13 7  40 o 90.96984 17.31675 263.2771       89.01393 255.9326       127.5862 270.2425       124.2495 87.31751 24.11798 89.91636 23.35511 -2.598846      33.57288 
1 1 1 -13 7  41 o 108.8516 15.14924 369.8247       94.09407 435.6512       133.5909 305.0167       132.5534 115.6713 20.43985 94.80913 23.86088 20.86219       31.41861 
1 1 1 -13 7  42 o 109.5203 15.28238 376.3134       95.49096 264.7109       135.9813 484.8928       134.1270 87.38807 25.16875 122.3654 19.33117 -34.97729      31.73578 
1 1 1 -13 7  43 o 119.9793 14.54550 450.6145       100.2618 357.5561       139.2508 550.7885       144.4766 101.5364 23.80111 129.7081 19.60346 -28.17164      30.83486 
1 1 1 -13 7  44 o 83.32555 20.35500 235.1319       98.60545 262.1566       138.3411 207.2235       140.5843 85.47802 25.59752 76.90994 26.11684 8.568077       36.56942 
1 1 1 -13 7  45 o 42.55151 19.13073 -24.26075      99.81930 99.37627       144.9033 -135.9165      137.7034 62.43699 25.34344 42.04231 20.05800 20.39467       32.32048 
1 1 1 -13 7  46 o 161.3141 12.17360 804.8090       114.3208 761.8912       156.3608 854.0999       167.5685 152.5765 17.80838 161.4397 18.00437 -8.863220      25.32381 
1 1 1 -13 7  47 o 54.73851 21.93823 75.44220       107.0754 79.82016       152.3238 71.16579       150.5468 60.16770 25.33846 59.13387 25.06067 1.033833       35.63810 
1 1 1 -13 7  48 o 74.28401 24.08463 203.1109       119.9028 277.3694       171.0768 131.4153       168.0988 83.16207 28.79205 66.02280 27.10685 17.13927       39.54445 
1 1 1 -13 7  49 f 56.44884 23.77728 68.67843       134.1762 -79.54353      204.3303 181.0466       177.9091 53.95384 25.34719 71.28249 28.37532 -17.32865      38.04785 
1 1 1 -13 8  1  o 651.0299 16.07132 12460.61       613.6249 11842.30       826.2614 13221.03       916.2997 633.5381 22.27257 669.2403 23.38152 -35.70215      32.29183 
1 1 1 -13 8  2  o 811.9542 27.57082 19501.35       1310.996 0.000000       0.000000 19501.35       1310.996 ?        ?        811.9542 27.57082 0.000000       27.57082 
1 1 1 -13 8  3  o 554.0088 11.97614 9013.263       389.1205 8750.400       626.5958 9178.271       496.4506 544.8561 19.64112 558.6089 15.16770 -13.75281      24.81598 
1 1 1 -13 8  4  o 292.2267 9.883239 2509.502       169.1392 2429.836       240.9923 2586.839       237.4451 287.2003 14.35312 296.4146 13.69584 -9.214264      19.83905 
1 1 1 -13 8  5  o 895.6787 17.23443 23596.98       905.3151 23475.28       1544.719 23660.65       1117.315 890.2272 29.62809 896.1713 21.25856 -5.944153      36.46574 
1 1 1 -13 8  6  o 597.8022 12.53554 10496.69       439.4920 10279.33       721.3933 10624.98       554.2171 590.3553 20.86853 600.9544 15.73845 -10.59912      26.13798 
1 1 1 -13 8  7  o 267.5539 9.729040 2104.048       152.4081 2124.458       199.7198 2075.591       235.8276 268.6301 12.71305 265.2857 15.22149 3.344391       19.83218 
1 1 1 -13 8  8  o 329.6943 9.320694 3193.032       180.0421 3152.766       245.9637 3239.511       264.2552 327.3493 12.83665 331.7612 13.61039 -4.411865      18.70889 
1 1 1 -13 8  9  o 626.4210 11.57329 11524.17       425.1808 11817.30       613.0746 11252.54       590.1721 633.6292 16.51193 618.3239 16.28885 15.30530       23.19419 
1 1 1 -13 8  10 o 670.6380 12.04673 13211.02       473.8141 13160.75       668.5681 13261.74       671.5907 668.5735 17.06479 671.1335 17.07647 -2.559998      24.14152 
1 1 1 -13 8  11 f 317.5653 9.517106 2963.176       177.0509 2983.948       246.0000 2940.854       255.0191 318.3839 13.20313 316.0168 13.79302 2.367035       19.09372 
1 1 1 -13 8  12 o 103.9885 18.52693 327.9856       108.8464 318.4941       137.6373 343.8316       177.8397 101.8418 23.51880 105.8896 28.15368 -4.047844      36.68465 
1 1 1 -13 8  13 o 1022.610 16.84744 30783.70       1010.403 30928.20       1435.574 30641.85       1422.367 1023.000 23.92761 1018.290 23.81715 4.710388       33.76073 
1 1 1 -13 8  14 o 411.3314 8.876692 4967.157       214.1379 5061.315       308.1317 4879.204       297.8056 414.7692 12.68206 407.2529 12.48335 7.516327       17.79519 
1 1 1 -13 8  15 o 139.7876 11.11584 577.7667       90.38000 511.1570       120.7520 662.6172       136.2866 130.7811 16.08161 149.1913 15.81677 -18.41014      22.55634 
1 1 1 -13 8  16 o 172.8144 9.776886 880.0787       98.68607 697.3901       135.0430 1089.453       144.5700 153.1430 15.23768 192.0264 12.91215 -38.88338      19.97275 
1 1 1 -13 8  17 o 585.8110 12.41158 10094.96       426.4177 9916.857       769.9894 10173.74       512.1200 578.0433 22.75744 587.5038 14.87510 -9.460510      27.18768 
1 1 1 -13 8  18 o 313.9299 8.027205 2896.064       147.6696 2808.137       210.0864 2981.930       207.6085 308.7626 11.62248 318.2434 11.14052 -9.480804      16.09948 
1 1 1 -13 8  19 o 754.6938 12.83213 16772.42       567.9629 16586.40       800.8917 16960.61       805.5704 748.8909 18.23495 757.3260 18.13719 -8.435120      25.71909 
1 1 1 -13 8  20 o 494.7472 12.81802 7216.760       371.6113 7156.092       515.7898 7282.241       535.8601 491.3939 17.92756 495.5520 18.47023 -4.158173      25.73998 
1 1 1 -13 8  21 o 175.0813 8.672008 903.2852       88.76796 817.9849       127.8918 982.5798       123.3074 166.0226 13.24457 182.2868 11.59418 -16.26424      17.60238 
1 1 1 -13 8  22 o 331.5868 7.710494 3231.156       149.9443 3315.174       223.3887 3162.262       202.2850 335.2523 11.37807 327.5565 10.54370 7.695770       15.51226 
1 1 1 -13 8  23 o 353.7800 7.875879 3679.303       163.4116 3660.892       238.8482 3695.503       224.0580 352.2000 11.57905 354.0089 10.80450 -1.808838      15.83703 
1 1 1 -13 8  24 o 306.2692 7.637752 2757.623       137.1890 2740.272       202.0335 2772.468       186.8804 304.6323 11.32802 306.5840 10.40864 -1.951721      15.38389 
1 1 1 -13 8  25 o 129.5227 9.936852 497.1378       74.90584 367.9448       107.7511 617.9641       104.2037 109.9622 17.27722 144.1069 12.45159 -34.14476      21.29659 
1 1 1 -13 8  26 o 189.3742 7.689087 1056.497       85.22011 1274.422       282.9453 1034.756       89.37006 204.2099 24.08816 187.3584 8.152847 16.85159       25.43046 
1 1 1 -13 8  27 f 98.14499 13.01206 289.7921       73.05350 406.5510       259.2912 279.7248       76.13786 113.6894 35.24630 96.22555 13.89332 17.46385       37.88570 
1 1 1 -13 8  28 o 414.0778 7.781521 5043.826       188.9718 4686.421       467.8316 5113.510       206.5741 395.0592 20.25954 416.8102 8.450590 -21.75095      21.95135 
1 1 1 -13 8  29 o 155.5719 10.38241 716.8043       94.18623 271.5092       352.0403 751.1359       97.74962 105.6759 40.52982 159.2485 10.52522 -53.57260      41.87417 
1 1 1 -13 8  30 o 200.6013 8.663644 1186.895       101.6856 896.9454       335.8312 1216.161       106.6941 166.6845 35.44563 203.0201 8.983126 -36.33557      36.56623 
1 1 1 -13 8  31 o 253.2744 7.672187 1889.044       113.8309 2367.274       362.1434 1836.615       119.9084 279.4151 22.28389 249.6562 8.200614 29.75894       23.74493 
1 1 1 -13 8  32 o 296.3965 7.646799 2587.313       132.8129 2497.826       364.9057 2600.978       142.5930 286.8167 21.85793 297.0840 8.191875 -10.26730      23.34258 
1 1 1 -13 8  33 o 104.0895 14.48905 328.3151       86.05564 194.4604       293.9661 340.8612       89.99828 93.23746 36.67569 106.0032 14.88618 -12.76570      39.58162 
1 1 1 -13 8  34 o 30.55628 14.75233 -123.2709      79.65348 -4.525789      283.7134 -133.4316      82.99140 76.84470 33.49672 30.85348 14.93517 45.99122       36.67546 
1 1 1 -13 8  35 o 196.3007 8.866966 1140.024       101.8180 626.8862       298.5493 1207.562       108.3115 135.9520 36.62651 201.9825 9.167356 -66.03046      37.75635 
1 1 1 -13 8  36 o 131.7334 12.33173 520.6135       94.16573 3.878618       321.7450 569.0219       98.47778 81.01324 35.48449 137.7738 12.31748 -56.76051      37.56155 
1 1 1 -13 8  37 o 44.58013 19.15595 -0.4753672     90.15482 -329.6141      306.0111 30.80811       94.34203 62.47153 29.83113 49.51680 20.31607 12.95473       36.09209 
1 1 1 -13 8  38 o 46.27499 19.19175 22.59410       85.40997 131.3954       304.4842 13.30201       88.98244 85.54490 35.91275 45.83283 19.33752 39.71207       40.78806 
1 1 1 -13 8  39 o 58.31222 23.10899 71.30193       117.4971 0.000000       0.000000 71.30193       117.4971 ?        ?        58.31222 23.10899 0.000000       23.10899 
1 1 1 -13 8  40 o 195.9801 8.384452 1143.313       96.14625 1049.177       127.1654 1268.937       146.9031 186.4106 11.69068 204.7680 12.28913 -18.35739      16.96157 
1 1 1 -13 8  41 o 70.91751 20.48710 165.1136       89.97076 101.3119       126.8903 229.6191       127.5883 62.66424 24.25396 82.22910 24.57274 -19.56486      34.52643 
1 1 1 -13 8  42 o 123.4240 13.46294 470.4332       95.87374 469.4674       130.0867 471.5815       141.8474 120.4035 19.05586 119.5203 21.00231 0.8831558      28.35883 
1 1 1 -13 8  43 o 183.0719 9.599476 1009.440       102.7069 947.8589       140.1778 1080.817       150.9147 174.9667 13.77165 186.8229 13.87271 -11.85616      19.54765 
1 1 1 -13 8  44 o 74.29277 21.00352 188.3898       95.56532 95.74056       138.1565 273.3908       132.3312 61.77040 24.86309 87.52174 24.70613 -25.75134      35.05091 
1 1 1 -13 8  45 o 66.13732 22.40604 147.2212       103.4677 68.90232       141.4874 237.2496       151.6961 58.65978 24.54362 80.33236 27.13042 -21.67258      36.58482 
1 1 1 -13 8  46 o 46.48599 20.40084 4.486621       106.8121 88.23163       147.2069 -88.62590      155.2218 60.80200 25.20420 47.53712 22.25568 13.26488       33.62391 
1 1 1 -13 8  47 o 77.04325 22.71053 213.4052       109.5803 224.4785       157.5825 203.0370       152.4832 77.22268 27.55956 74.38212 27.03675 2.840561       38.60720 
1 1 1 -13 8  48 o 122.9818 18.07934 505.5900       126.5100 649.6002       177.0910 355.5000       180.7906 134.6033 23.27500 92.94179 29.51980 41.66154       37.59182 
1 1 1 -13 8  49 f 84.79927 25.27475 275.5529       135.1186 353.6080       193.5546 201.3559       188.7105 90.94946 30.64578 73.48337 29.23298 17.46609       42.35246 
1 1 1 -13 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 9  2  o 638.9027 13.32134 11991.84       499.1525 11554.83       806.8613 12262.77       635.3138 625.7808 22.01930 645.5152 16.79579 -19.73438      27.69383 
1 1 1 -13 9  3  o 559.6329 12.26794 9198.293       402.6477 8843.566       634.8284 9437.042       520.8103 547.6958 19.79618 566.3515 15.69502 -18.65570      25.26307 
1 1 1 -13 9  4  o 721.6551 14.44234 15304.98       611.2482 15342.83       1033.188 15284.60       758.1642 720.6614 24.48096 720.7461 17.93620 -0.8465576E-01 30.34839 
1 1 1 -13 9  5  o 647.2238 13.31346 12306.97       505.3542 12211.78       838.9047 12361.18       633.1204 643.2450 22.27108 648.0879 16.67104 -4.842896      27.81950 
1 1 1 -13 9  6  o 325.9652 10.20517 3122.323       194.8527 3235.087       285.8552 3024.452       266.3087 331.4324 14.74310 320.4903 14.20366 10.94208       20.47200 
1 1 1 -13 9  7  o 321.0419 9.702360 3028.252       182.4698 3105.262       250.3931 2941.042       266.4579 324.8384 13.17061 316.0042 14.41553 8.834198       19.52620 
1 1 1 -13 9  8  o 226.8816 10.75583 1514.822       142.7102 1437.203       183.4704 1633.721       227.0776 220.6735 14.25260 235.0905 16.57608 -14.41696      21.86100 
1 1 1 -13 9  9  o 300.4183 10.14991 2652.738       178.5728 2419.306       251.1993 2891.220       253.9025 286.4638 15.00427 313.3422 13.85071 -26.87833      20.41985 
1 1 1 -13 9  10 o 221.4193 10.67917 1442.990       138.2679 1483.694       183.5455 1389.584       210.2428 224.2317 14.02741 216.6836 16.67225 7.548111       21.78835 
1 1 1 -13 9  11 o 657.6165 11.83181 12704.21       456.3250 12382.62       638.5775 13039.80       652.3242 648.4314 16.80603 665.4403 16.72816 -17.00891      23.71232 
1 1 1 -13 9  12 o 285.8123 9.132744 2400.570       152.8886 2356.076       207.7538 2453.132       225.8069 282.8768 12.55406 288.5773 13.37852 -5.700531      18.34636 
1 1 1 -13 9  13 o 200.3804 11.55933 1183.591       135.2667 1350.010       157.3020 711.2682       265.0038 213.9520 12.59191 152.0567 30.77393 61.89534       33.25043 
1 1 1 -13 9  14 o 163.5928 10.26639 789.1746       98.00252 842.0429       131.4819 723.0840       147.0070 168.6886 13.40018 155.8596 16.32439 12.82898       21.11991 
1 1 1 -13 9  15 o 342.2147 8.319875 3438.353       166.9806 3313.415       234.9843 3565.792       237.3255 335.5091 11.96133 348.1017 11.64124 -12.59253      16.69107 
1 1 1 -13 9  16 o 307.6490 8.332190 2781.268       150.1983 2722.194       213.0529 2839.636       211.7779 304.0206 11.97247 310.5548 11.64829 -6.534210      16.70398 
1 1 1 -13 9  17 o 391.3070 8.576374 4497.341       196.8212 4538.026       285.9572 4460.717       271.3141 392.5295 12.43731 389.2405 11.89910 3.289032       17.21265 
1 1 1 -13 9  18 o 179.4448 8.837582 948.3181       92.72069 753.2062       126.1463 1177.604       136.7481 159.3334 13.63028 199.7209 11.72633 -40.38753      17.98030 
1 1 1 -13 9  19 o 234.2773 7.974970 1614.134       109.4148 1515.979       155.1615 1711.221       154.3139 226.6455 11.71283 240.9268 10.94980 -14.28127      16.03398 
1 1 1 -13 9  20 o 475.8900 12.42875 6677.212       346.5875 6424.974       472.5854 6970.773       509.8280 465.6127 17.33661 484.8267 17.96131 -19.21402      24.96330 
1 1 1 -13 9  21 o 235.0991 7.756086 1625.912       106.7946 1484.271       152.2682 1763.040       149.8222 224.1597 11.62216 244.5138 10.47199 -20.35408      15.64408 
1 1 1 -13 9  22 o 247.8915 7.754242 1807.850       112.5945 1769.365       163.2126 1842.797       155.5303 244.7708 11.40088 249.9219 10.63540 -5.151154      15.59140 
1 1 1 -13 9  23 o 142.1158 9.494422 597.0970       78.67979 630.5609       114.8787 567.5309       107.9814 145.4563 13.62514 137.9478 13.52046 7.508530       19.19498 
1 1 1 -13 9  24 o 51.25253 18.08614 68.61441       67.69785 55.72096       92.69672 83.35139       99.10239 53.49998 20.72377 58.97412 21.73821 -5.474148      30.03372 
1 1 1 -13 9  25 o 269.3783 6.951150 2134.354       109.7253 2192.490       337.7549 2127.494       116.0182 269.5699 21.54300 268.8949 7.363799 0.6749878      22.76679 
1 1 1 -13 9  26 o 84.29700 15.42185 217.3253       73.43413 233.1091       263.3299 215.9943       76.46763 95.26495 35.37664 83.89843 16.12653 11.36652       38.87893 
1 1 1 -13 9  27 o 341.2958 7.366176 3425.471       147.4428 3623.474       407.5875 3395.659       158.1535 347.3085 20.09618 339.7296 7.937703 7.578949       21.60703 
1 1 1 -13 9  28 o 293.4507 7.297479 2532.195       125.5910 2315.020       360.2485 2562.242       133.9976 276.5390 22.40409 295.0335 7.750890 -18.49448      23.70696 
1 1 1 -13 9  29 o 577.0472 9.624741 9811.352       325.7249 9177.310       742.0092 9962.696       362.5214 551.4683 22.99281 581.1729 10.63598 -29.70465      25.33364 
1 1 1 -13 9  30 o 27.42034 13.60164 -197.7923      83.16743 -442.2419      308.5008 -178.6342      86.36498 60.41815 29.13538 29.26845 14.39427 31.14969       32.49716 
1 1 1 -13 9  31 o 117.4340 12.56971 412.6523       85.22540 306.5943       320.0680 420.7458       88.41747 105.8658 39.05870 118.5249 12.92912 -12.65912      41.14297 
1 1 1 -13 9  32 o 270.7873 7.730892 2160.283       122.6489 2138.281       373.4213 2162.943       129.8528 263.9854 24.39536 270.8780 8.183240 -6.892578      25.73129 
1 1 1 -13 9  33 o 190.6681 8.763531 1074.359       97.73381 806.6870       329.6700 1100.151       102.3342 155.5002 36.73712 192.8951 9.071257 -37.39484      37.84050 
1 1 1 -13 9  34 o 224.4309 8.359393 1487.557       109.8369 1216.660       341.4127 1518.832       116.0040 194.2951 31.00306 226.7065 8.741242 -32.41132      32.21179 
1 1 1 -13 9  35 o 100.0129 15.10051 305.5618       85.81563 252.3787       317.2111 309.7615       89.13954 98.64688 38.30203 100.5771 15.61836 -1.930260      41.36398 
1 1 1 -13 9  36 o 118.5510 13.83093 425.3409       94.35838 370.5336       321.7229 430.4991       98.69883 108.4281 39.29219 119.1185 14.42135 -10.69034      41.85512 
1 1 1 -13 9  37 o 124.3009 13.04719 466.7635       93.69740 687.6296       356.3914 450.3639       97.11372 137.6879 41.05042 121.8537 13.83366 15.83425       43.31867 
1 1 1 -13 9  38 o 106.6856 18.46164 358.4097       111.3319 -156.3193      311.4342 433.8261       119.2092 69.33469 32.14437 117.8691 17.79893 -48.53439      36.74319 
1 1 1 -13 9  39 o 35.45443 16.52167 -69.69499      83.92837 -269.9072      290.7742 -51.49904      87.65929 61.04813 29.13144 38.07906 17.43505 22.96907       33.95028 
1 1 1 -13 9  40 o 62.27342 19.88465 122.2095       81.94345 116.2598       317.8205 122.6332       84.81086 82.20634 35.64690 62.50800 20.25503 19.69834       40.99960 
1 1 1 -13 9  41 o 87.36196 17.75672 246.1981       87.87309 181.3820       118.8460 324.3667       130.5147 74.05273 23.97575 97.99289 23.09111 -23.94016      33.28718 
1 1 1 -13 9  42 o 79.54632 19.23046 209.2532       88.71468 122.5497       119.5135 315.6565       132.3963 64.35347 23.84489 95.74706 23.70478 -31.39359      33.62284 
1 1 1 -13 9  43 o 48.05811 19.66683 40.30975       88.12171 -4.126633      120.3207 91.72315       129.4223 48.83592 21.53416 60.65316 24.18273 -11.81723      32.38092 
1 1 1 -13 9  44 o 136.9661 12.35903 578.7552       98.21000 622.2071       136.9319 532.7261       140.9343 139.0035 17.16088 126.8543 19.57248 12.14924       26.03032 
1 1 1 -13 9  45 o 47.19404 20.31050 17.82533       101.6476 20.31452       143.0276 15.28512       144.4863 54.04209 23.66517 53.80338 23.66592 0.2387161      33.46813 
1 1 1 -13 9  46 o 57.07699 22.20155 91.77364       106.7283 15.32134       150.1839 169.7782       151.7009 54.17505 23.96580 70.38538 26.69937 -16.21033      35.87779 
1 1 1 -13 9  47 o 67.58854 23.18981 160.1303       110.8915 141.1508       163.3651 176.3477       151.0110 67.15204 27.03390 70.72278 26.68110 -3.570740      37.98307 
1 1 1 -13 9  48 o 76.80684 24.81441 221.0845       127.3474 161.8080       178.7783 282.1420       181.4440 69.52309 28.17571 83.16308 29.58407 -13.63998      40.85447 
1 1 1 -13 9  49 o 39.42097 18.97499 -140.2156      129.4306 -5.620962      180.9923 -281.0864      185.1641 55.36679 25.23679 42.49509 20.93365 12.87170       32.78892 
1 1 1 -13 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 10 2  o 1028.115 23.99270 31187.12       1446.676 28224.62       1875.275 35541.80       2273.600 974.9241 32.84461 1093.012 35.51531 -118.0877      48.37464 
1 1 1 -13 10 3  f 619.7890 13.08117 11285.23       475.4896 10809.58       759.9219 11591.27       609.5576 605.2722 21.44146 627.5693 16.57612 -22.29712      27.10174 
1 1 1 -13 10 4  o 329.0438 10.43254 3181.840       201.0689 3113.517       282.7754 3251.711       285.9602 325.1185 14.86965 332.2855 14.71030 -7.167023      20.91648 
1 1 1 -13 10 5  o 626.3584 13.17290 11526.58       483.8991 11504.49       794.2289 11539.61       610.2413 624.3577 21.72320 626.1371 16.63284 -1.779419      27.35962 
1 1 1 -13 10 6  o 412.3286 10.80238 4995.475       260.9993 5401.036       411.4438 4722.387       337.6245 428.2057 16.41393 400.5756 14.39480 27.63013       21.83179 
1 1 1 -13 10 7  o 308.5569 10.18977 2798.241       184.1425 2556.371       257.8796 3049.871       263.0305 294.4971 14.98009 321.8354 13.96874 -27.33838      20.48240 
1 1 1 -13 10 8  o 590.5503 11.13659 10241.85       385.7087 10662.34       559.7139 9861.595       532.2694 601.8842 15.87018 578.8502 15.69335 23.03394       22.31913 
1 1 1 -13 10 9  f 420.4203 9.567359 5188.970       235.8991 5144.259       333.4737 5233.754       333.7499 418.1419 13.61654 421.7782 13.50974 -3.636261      19.18133 
1 1 1 -13 10 10 o 638.3109 11.59679 11968.55       434.1310 12012.34       618.3719 11925.99       609.6292 638.6943 16.52232 636.4211 16.34671 2.273132       23.24224 
1 1 1 -13 10 11 o 572.4915 10.72882 9625.791       360.2230 9780.006       517.1375 9480.437       502.0614 576.3922 15.31166 567.5201 15.09770 8.872009       21.50320 
1 1 1 -13 10 12 o 523.3646 10.07988 8043.862       309.3929 8132.671       446.1888 7961.614       429.3899 525.6390 14.48755 520.1307 14.08929 5.508301       20.20884 
1 1 1 -13 10 13 o 303.6479 10.78510 2712.058       191.7587 2642.795       414.1319 2730.961       216.3492 297.9414 23.90082 304.5815 12.13589 -6.640076      26.80539 
1 1 1 -13 10 14 o 413.8369 8.825579 5028.834       214.2017 5075.278       308.4520 4985.576       297.6886 415.2525 12.68043 411.6029 12.34594 3.649567       17.69790 
1 1 1 -13 10 15 o 337.2010 8.339804 3338.724       164.9283 3192.648       232.0341 3487.886       234.4728 329.2854 12.03538 344.2386 11.63072 -14.95325      16.73691 
1 1 1 -13 10 16 o 180.4315 19.01876 972.3898       198.2305 703.8248       362.9840 1086.527       236.6334 149.7850 40.40025 190.3701 21.57459 -40.58510      45.80003 
1 1 1 -13 10 17 o 131.1177 11.77782 509.8118       89.60442 482.9760       113.0740 555.1077       146.9048 127.0548 15.49487 135.7359 18.97149 -8.681168      24.49506 
1 1 1 -13 10 18 o 414.5995 8.584916 5050.346       208.7446 5083.753       303.9641 5020.529       287.1702 415.3332 12.49307 412.8399 11.87295 2.493256       17.23495 
1 1 1 -13 10 19 o 475.3095 9.204945 6641.414       256.5950 6480.429       366.5764 6796.065       359.2936 468.6809 13.34995 480.0897 12.77211 -11.40884      18.47560 
1 1 1 -13 10 20 o 574.3021 14.32104 9737.372       482.3537 9671.773       674.7676 9805.922       689.7823 570.1167 20.21285 573.9318 20.52585 -3.815125      28.80746 
1 1 1 -13 10 21 o 213.1799 8.267820 1337.976       103.1724 1454.569       152.9753 1240.689       139.7374 221.8439 11.80018 204.8540 11.67941 16.98988       16.60279 
1 1 1 -13 10 22 o 236.5497 8.303141 1647.375       115.0115 1593.757       179.8141 1684.497       149.6189 231.9431 13.27423 238.8921 10.70629 -6.949005      17.05373 
1 1 1 -13 10 23 o 119.3154 14.09269 426.7539       96.71367 616.4020       292.5972 403.4928       102.4733 138.6037 35.75870 115.7050 15.48986 22.89872       38.96948 
1 1 1 -13 10 24 o 261.4432 7.100093 2010.664       108.7652 1509.054       313.6982 2079.204       115.9581 222.4744 24.44483 265.8240 7.445340 -43.34958      25.55353 
1 1 1 -13 10 25 o 83.87685 15.07399 214.8138       71.42613 128.5304       269.8298 221.3153       74.06825 86.47296 34.76747 85.10258 15.40725 1.370384       38.02842 
1 1 1 -13 10 26 o 98.50782 13.31791 292.2347       74.97182 -149.5194      279.6862 326.4341       77.81979 68.86009 31.38126 104.2651 13.00845 -35.40501      33.97062 
1 1 1 -13 10 27 o 211.1336 8.060830 1313.517       99.62980 746.1393       322.8070 1373.254       104.7433 151.4432 36.72744 215.8585 8.289237 -64.41531      37.65125 
1 1 1 -13 10 28 o 311.5355 7.558014 2854.453       138.0911 2312.348       397.0766 2929.038       147.2846 275.4193 24.84969 315.4278 7.968099 -40.00854      26.09593 
1 1 1 -13 10 29 o 360.1444 7.876513 3815.782       166.3647 3891.068       462.5500 3804.596       178.2963 359.0906 22.07026 359.5273 8.455902 -0.4367065     23.63469 
1 1 1 -13 10 30 o 223.3176 8.380812 1470.124       109.5691 806.4021       361.1176 1537.423       114.9900 156.3533 39.40236 228.3471 8.601834 -71.99379      40.33036 
1 1 1 -13 10 31 o 315.7007 7.477370 2932.622       138.4443 2742.651       383.9986 2961.005       148.4265 300.7052 21.92464 317.0489 7.988784 -16.34369      23.33475 
1 1 1 -13 10 32 f 256.6328 7.973241 1941.444       119.8589 1606.769       366.9149 1981.424       126.8161 226.5948 28.21974 259.1982 8.353323 -32.60344      29.43011 
1 1 1 -13 10 33 o 47.93920 19.04126 38.63832       79.94427 230.6641       328.2735 26.53193       82.42583 98.56597 38.76131 46.64690 19.04682 51.91908       43.18820 
1 1 1 -13 10 34 o 451.4028 8.329431 6010.477       220.5109 6514.332       578.2428 5924.735       238.5366 461.9632 21.40100 447.9236 9.080308 14.03958       23.24768 
1 1 1 -13 10 35 o 31.85528 15.22902 -106.5043      80.24491 -226.7459      346.2528 -99.67964      82.49074 72.39293 33.67532 33.01052 15.68538 39.38240       37.14913 
1 1 1 -13 10 36 o 140.6822 11.79426 592.7667       96.41569 296.5028       394.5807 611.5789       99.42968 105.6003 42.18439 142.8658 11.97704 -37.26550      43.85170 
1 1 1 -13 10 37 o 99.59243 16.11631 306.9443       90.91927 860.4345       348.1038 266.4224       94.18866 155.1334 38.45470 92.04800 18.09289 63.08537       42.49843 
1 1 1 -13 10 38 o 173.8176 9.612984 900.9535       97.61303 1133.212       375.6869 884.1388       101.0847 176.7555 37.40931 172.0463 10.06212 4.709122       38.73890 
1 1 1 -13 10 39 o 40.47878 17.85743 -15.76119      82.83274 -134.2235      325.6276 -7.565326      85.65023 70.43480 32.72789 42.12150 18.38195 28.31330       37.53679 
1 1 1 -13 10 40 o 101.8147 14.85882 323.2116       86.11093 309.2079       316.2104 324.3333       89.49322 95.37032 37.87315 101.7430 15.48593 -6.372711      40.91686 
1 1 1 -13 10 41 o 78.73500 18.75758 202.9358       85.37569 296.5218       115.8621 91.74639       126.2896 94.27879 21.44057 61.16851 24.04560 33.11028       32.21628 
1 1 1 -13 10 42 o 123.2902 12.62940 467.7399       90.02992 380.2657       120.0392 580.2094       136.1134 107.4709 19.77345 134.6265 17.66509 -27.15565      26.51499 
1 1 1 -13 10 43 o 117.4569 13.76705 430.5055       93.03761 414.4650       124.8396 450.5442       139.5333 111.8439 19.75437 115.6379 21.36109 -3.793999      29.09522 
1 1 1 -13 10 44 o 58.77797 21.17033 106.3382       93.21818 109.4869       131.6146 103.1689       132.0473 62.58684 24.56410 61.83712 24.50057 0.7497177      34.69399 
1 1 1 -13 10 45 o 96.95277 18.70506 314.4082       102.5043 333.9748       147.3956 296.0820       142.6471 94.99719 25.79629 89.39515 25.78789 5.602043       36.47552 
1 1 1 -13 10 46 o 71.30482 23.02987 180.3372       109.6947 187.2450       157.5100 173.8314       152.8581 72.65365 27.28372 70.84911 26.81801 1.804543       38.25712 
1 1 1 -13 10 47 o 111.2555 19.04185 418.9797       119.7812 424.9547       173.2377 413.5068       165.7994 104.1739 27.82775 103.5220 27.02378 0.6519012      38.79006 
1 1 1 -13 10 48 o 97.11144 23.07181 343.5554       129.4469 300.2186       182.0547 387.8682       184.0935 85.32349 29.69249 96.84207 29.64141 -11.51858      41.95541 
1 1 1 -13 11 1  o 572.0731 14.84608 9626.729       497.6758 9339.533       670.3543 9979.405       742.8562 562.6959 20.34678 581.4235 21.82394 -18.72760      29.83750 
1 1 1 -13 11 2  o 415.6848 15.25338 5086.958       371.2304 0.000000       0.000000 5086.958       371.2304 ?        ?        415.6848 15.25338 0.000000       15.25338 
1 1 1 -13 11 3  o 616.5940 13.20059 11170.54       477.3568 11155.67       773.2587 11179.69       606.7813 614.8198 21.47800 616.2439 16.80485 -1.424072      27.27100 
1 1 1 -13 11 4  o 813.4005 16.10388 19458.90       768.2199 18775.84       1257.042 19866.09       970.5530 796.4304 26.95118 821.1784 20.15261 -24.74799      33.65254 
1 1 1 -13 11 5  o 639.6036 13.29571 12020.92       498.7386 11419.40       795.8131 12409.97       640.0173 621.9301 21.85216 649.2545 16.82257 -27.32440      27.57745 
1 1 1 -13 11 6  o 603.8064 12.77712 10711.78       452.4610 10716.43       744.1805 10709.05       569.8947 602.5648 21.09085 603.1686 16.12483 -0.6037598     26.54872 
1 1 1 -13 11 7  f 520.2013 11.66748 7948.557       355.9583 8299.816       589.2413 7746.711       446.6722 530.5106 18.96916 513.0746 14.85989 17.43604       24.09659 
1 1 1 -13 11 8  o 319.0888 9.974964 2992.359       186.4403 3103.320       275.3113 2898.370       253.3842 324.5606 14.50025 313.7081 13.80601 10.85254       20.02157 
1 1 1 -13 11 9  f 385.7662 9.351093 4368.868       211.5617 4170.697       290.6152 4592.294       308.5791 376.4727 13.18272 395.0489 13.33793 -18.57623      18.75325 
1 1 1 -13 11 10 o 881.6219 14.81115 22860.84       765.8113 22763.77       1079.833 22959.07       1086.237 878.4258 20.96047 882.1771 20.99511 -3.751282      29.66709 
1 1 1 -13 11 11 o 543.7418 10.33636 8683.252       329.6178 8739.139       470.2399 8629.268       462.1650 544.8549 14.72945 541.4395 14.56771 3.415405       20.71654 
1 1 1 -13 11 12 o 322.6865 8.543164 3059.049       161.5355 3078.411       227.1938 3039.255       229.7184 323.4168 11.99877 321.3295 12.21197 2.087311       17.12025 
1 1 1 -13 11 13 f 766.5035 13.11855 17280.09       589.7263 17407.67       844.3563 17158.59       824.0137 768.1359 18.74291 762.6992 18.42174 5.436768       26.28036 
1 1 1 -13 11 14 o 199.6075 8.971810 1172.503       104.7601 1102.998       140.0332 1260.845       157.8721 193.2643 12.42036 206.6088 13.09625 -13.34451      18.04930 
1 1 1 -13 11 15 o 313.5794 8.246994 2889.572       151.5363 2807.221       214.0636 2972.296       214.5466 308.7265 11.84472 317.7223 11.53306 -8.995789      16.53206 
1 1 1 -13 11 16 o 524.1828 9.866616 8075.364       303.3203 8530.220       451.4065 7700.932       409.5596 537.8875 14.32229 511.1779 13.67366 26.70956       19.80144 
1 1 1 -13 11 17 o 631.7358 11.14497 11740.11       412.9190 11806.16       592.3558 11677.69       575.9031 632.2517 15.98787 629.0947 15.60928 3.157043       22.34417 
1 1 1 -13 11 18 o 302.1101 7.854404 2682.931       139.0466 2476.602       199.7333 2876.961       193.6893 289.8036 11.77611 312.5470 10.58197 -22.74344      15.83208 
1 1 1 -13 11 19 o 242.4809 7.759569 1729.226       110.2063 1601.250       158.0220 1850.415       153.7751 232.8931 11.60596 250.5458 10.48842 -17.65273      15.64305 
1 1 1 -13 11 20 o 133.3505 12.44695 528.7906       96.21931 532.0080       122.6481 523.6411       155.1651 133.1563 16.02725 131.0760 20.88482 2.080292       26.32582 
1 1 1 -13 11 21 o 105.2045 12.60557 331.1304       76.22961 426.3126       103.0955 216.3255       113.2250 119.1256 15.09492 83.65753 22.56355 35.46809       27.14720 
1 1 1 -13 11 22 f 265.5423 6.919555 2073.265       107.6694 1713.387       351.9469 2110.423       113.0915 237.1781 25.71266 267.8828 7.204916 -30.70479      26.70302 
1 1 1 -13 11 23 o 96.32475 13.12917 279.1627       72.24093 -2.169198      306.1474 295.7511       74.34023 81.42740 35.14724 99.20009 13.09766 -17.77269      37.50836 
1 1 1 -13 11 24 o 252.7527 7.010722 1879.297       103.8220 1911.938       355.9409 1876.261       108.5419 250.5619 24.53632 252.5101 7.337179 -1.948257      25.60987 
1 1 1 -13 11 25 o 438.7624 8.074975 5664.224       207.7883 5365.988       517.9822 5721.420       226.8400 422.5152 20.96916 440.8383 8.773841 -18.32312      22.73073 
1 1 1 -13 11 26 o 127.1936 12.19828 482.3883       89.88032 859.8744       294.9728 443.7529       94.36788 164.5362 31.71806 121.7216 13.44291 42.81461       34.44920 
1 1 1 -13 11 27 o 189.8639 8.259079 1062.825       91.74541 819.2008       320.7642 1084.531       95.74533 159.2772 35.26988 191.7616 8.534834 -32.48439      36.28785 
1 1 1 -13 11 28 o 221.0933 8.554825 1440.986       110.7177 1457.356       374.4778 1439.418       115.8991 216.0164 30.39865 220.9160 8.964070 -4.899612      31.69279 
1 1 1 -13 11 29 o 191.3996 9.358399 1081.811       104.7308 868.4871       411.4342 1096.591       108.2982 161.4341 42.77665 192.6685 9.614671 -31.23444      43.84386 
1 1 1 -13 11 30 o 90.66793 17.05141 252.7201       87.34298 461.7469       338.7751 237.8365       90.39910 121.3795 40.53981 87.67814 18.17741 33.70137       44.42853 
1 1 1 -13 11 31 o 100.1482 14.87404 304.4296       84.71254 96.40594       348.7977 317.4692       87.32722 91.64085 38.45241 102.2835 15.00355 -10.64265      41.27583 
1 1 1 -13 11 32 o 103.2986 14.30936 323.2403       84.36404 335.9461       346.3315 322.4388       86.98422 108.9244 40.54739 103.0518 14.81795 5.872597       43.17016 
1 1 1 -13 11 33 o 346.3578 7.693208 3534.554       156.2726 3397.698       436.2302 3554.703       167.3815 333.0316 22.46615 347.2272 8.219457 -14.19562      23.92253 
1 1 1 -13 11 34 o 143.3053 10.84287 611.7827       90.45296 878.3789       351.1529 592.8365       93.61192 160.5063 37.91215 140.9345 11.42350 19.57181       39.59580 
1 1 1 -13 11 35 o 105.0924 20.75972 347.7538       123.4105 0.000000       0.000000 347.7538       123.4105 ?        ?        105.0924 20.75972 0.000000       20.75972 
1 1 1 -13 11 36 o 117.5539 13.63547 418.7050       92.26467 248.1282       368.7841 430.0949       95.29527 100.1543 40.51156 119.0866 13.90596 -18.93224      42.83179 
1 1 1 -13 11 37 o 182.2627 9.412754 988.0698       100.2747 668.7208       369.5587 1013.450       104.1832 133.5969 42.17716 184.5257 9.660629 -50.92879      43.26940 
1 1 1 -13 11 38 o 39.48281 17.69468 -30.18284      84.64871 -75.86217      366.3115 -27.60597      87.00357 77.95161 35.67236 40.35760 18.02349 37.59401       39.96703 
1 1 1 -13 11 39 o 68.48187 19.58221 151.5970       82.59898 408.7601       369.2534 138.0513       84.74646 105.4010 41.21034 65.70377 20.11145 39.69727       45.85589 
1 1 1 -13 11 40 o 127.2892 12.48527 494.8096       92.00746 484.4659       372.8873 495.4802       94.94302 109.2873 41.76300 127.2059 12.90477 -17.91860      43.71135 
1 1 1 -13 11 41 o 50.34763 19.68965 57.39537       84.30794 112.7443       342.4256 53.82370       86.98561 81.79493 36.18587 50.23632 19.89140 31.55861       41.29268 
1 1 1 -13 11 42 o 148.0035 11.06834 666.2393       95.37806 668.5591       126.4593 663.1788       145.2556 146.1431 14.96554 143.8774 17.57895 2.265671       23.08650 
1 1 1 -13 11 43 f 96.92374 16.35769 302.4402       89.67664 369.9750       124.7294 230.1752       129.0234 104.6165 21.05873 80.64249 24.83938 23.97398       32.56478 
1 1 1 -13 11 44 o 144.6836 12.16826 645.7658       102.2961 564.6489       146.6723 722.5965       142.7446 130.1281 19.84591 150.1301 16.48293 -20.00201      25.79820 
1 1 1 -13 11 45 o 52.18508 21.33457 57.50602       103.5732 151.9738       152.6953 -22.99599      140.9572 68.56348 26.58727 49.89927 22.55658 18.66422       34.86663 
1 1 1 -13 11 46 o 55.75866 22.40944 78.75518       112.0522 -73.82780      159.9646 225.7503       157.0082 49.01286 22.82962 77.51270 27.52548 -28.49985      35.76092 
1 1 1 -13 11 47 o 83.51795 23.34777 256.1263       118.7839 392.0676       173.8390 137.0677       162.6867 99.01424 28.43889 66.32208 26.87803 32.69215       39.13053 
1 1 1 -13 11 48 o 70.25108 24.71653 179.8740       126.3621 104.7105       186.4794 243.6881       171.8247 64.52563 27.63501 78.47585 28.67359 -13.95022      39.82296 
1 1 1 -13 12 1  o 740.5343 25.11932 16219.10       1089.368 16219.10       1089.368 0.000000       0.000000 740.5343 25.11932 ?        ?        0.000000       25.11932 
1 1 1 -13 12 2  o 556.9572 19.85497 9150.359       647.5096 9150.359       647.5096 0.000000       0.000000 556.9572 19.85497 ?        ?        0.000000       19.85497 
1 1 1 -13 12 3  o 646.2482 13.58745 12273.86       514.9771 12169.26       835.8423 12337.86       653.8111 641.9206 22.23560 647.2676 17.23871 -5.347046      28.13529 
1 1 1 -13 12 4  o 714.9337 14.49315 15026.65       607.6857 14449.27       982.9905 15383.80       773.1171 699.1059 24.01048 722.6115 18.25735 -23.50562      30.16346 
1 1 1 -13 12 5  o 436.0069 10.80529 5582.597       276.2997 5634.715       428.4381 5545.488       361.5223 437.2782 16.73718 434.0946 14.21958 3.183624       21.96200 
1 1 1 -13 12 6  o 646.1391 13.35969 12270.37       506.2591 12314.42       841.0590 12245.35       633.9742 645.6270 22.24557 644.8427 16.77785 0.7843628      27.86327 
1 1 1 -13 12 7  o 484.1233 11.13294 6883.937       316.0939 7206.844       517.0422 6691.224       399.4313 494.3992 17.86126 476.8353 14.29928 17.56384       22.87999 
1 1 1 -13 12 8  o 123.0474 16.85157 453.8940       118.4168 502.5508       124.5100 -7.050585      383.2279 129.5999 16.77443 92.54966 39.62621 37.05025       43.03043 
1 1 1 -13 12 9  o 535.0923 11.60077 8412.017       364.0541 8666.349       607.9963 8269.863       454.5471 541.9033 19.16076 530.0554 14.63602 11.84796       24.11115 
1 1 1 -13 12 10 o 755.4568 13.02348 16778.16       577.0151 17006.93       827.8438 16562.01       804.6938 759.5908 18.58310 749.6468 18.30305 9.944031       26.08320 
1 1 1 -13 12 11 o 507.1550 9.909481 7554.272       294.7421 7604.173       424.0576 7507.635       409.9565 508.1998 14.24191 505.0160 13.85456 3.183746       19.86909 
1 1 1 -13 12 12 o 306.2654 8.678366 2756.386       155.7214 2619.844       215.4350 2905.780       225.3458 298.2472 12.34324 314.1371 12.25501 -15.88995      17.39370 
1 1 1 -13 12 13 o 440.2620 11.92629 5703.563       307.6571 5879.651       434.6087 5526.688       435.5787 446.2888 16.63384 432.5655 17.20407 13.72327       23.93042 
1 1 1 -13 12 14 o 336.3081 8.508565 3323.767       167.6854 3317.882       241.1478 3329.276       233.3313 335.6205 12.27202 336.2477 11.85067 -0.6271057     17.05992 
1 1 1 -13 12 15 o 641.3212 13.23869 12109.22       497.9331 12583.46       627.6049 11303.60       818.0023 652.8566 16.40447 616.8419 22.65000 36.01465       27.96657 
1 1 1 -13 12 16 o 411.2876 8.609489 4969.644       207.6699 4953.063       297.7924 4985.341       289.7518 410.0042 12.39864 411.3977 12.02209 -1.393524      17.27011 
1 1 1 -13 12 17 o 343.5176 8.040941 3466.627       161.9968 3339.338       231.8027 3588.145       226.4859 336.6014 11.76034 349.0284 11.07848 -12.42694      16.15668 
1 1 1 -13 12 18 o 211.4970 8.098561 1316.278       100.2673 1238.415       142.3134 1393.027       141.2909 204.7122 11.90500 217.2562 11.12603 -12.54396      16.29471 
1 1 1 -13 12 19 o 165.3849 9.383139 807.0724       90.63779 789.6501       127.9216 824.6368       128.4424 163.0399 13.49914 166.6747 13.24872 -3.634872      18.91442 
1 1 1 -13 12 20 o 185.9718 8.753987 1019.346       95.21005 0.000000       0.000000 1019.346       95.21005 ?        ?        185.9718 8.753987 0.000000       8.753987 
1 1 1 -13 12 21 o 160.3760 8.591201 758.6515       80.51114 850.1702       330.2024 752.8668       83.01661 163.2572 35.50096 159.7278 8.897205 3.529419       36.59888 
1 1 1 -13 12 22 o 230.2267 7.255317 1559.461       97.84081 1879.103       367.1747 1535.030       101.5111 248.3641 25.57279 228.3785 7.589470 19.98560       26.67522 
1 1 1 -13 12 23 o 40.28463 16.73441 11.90105       65.08636 -175.6808      295.5042 21.46507       66.72498 69.91066 32.01032 42.26339 17.18190 27.64727       36.33013 
1 1 1 -13 12 24 o 193.0682 7.926053 1098.353       89.55582 1337.480       317.6310 1077.702       93.34280 208.3798 26.59597 191.1913 8.344675 17.18851       27.87435 
1 1 1 -13 12 25 o 217.1908 7.588146 1389.085       96.50723 1066.923       327.6755 1419.685       100.9865 183.8438 31.52518 219.5399 7.855971 -35.69612      32.48928 
1 1 1 -13 12 26 o 126.1759 13.72353 476.8211       99.91887 6.451698       318.5776 528.1398       105.2285 83.17078 35.87643 132.8702 13.69995 -49.69945      38.40322 
1 1 1 -13 12 27 o 344.0836 7.637199 3482.265       154.1163 3895.408       480.0005 3434.779       162.7324 358.9390 22.92165 341.6620 8.121324 17.27695       24.31785 
1 1 1 -13 12 28 o 185.1460 12.43933 1017.767       134.2871 0.000000       0.000000 1017.767       134.2871 ?        ?        185.1460 12.43933 0.000000       12.43933 
1 1 1 -13 12 29 o 323.9853 7.752080 3088.188       147.2970 3187.202       434.7097 3075.346       156.5584 324.2520 23.00893 323.1333 8.268011 1.118652       24.44935 
1 1 1 -13 12 30 o 165.5861 10.03410 811.8283       96.98621 672.5655       391.3846 820.9394       100.1085 142.0565 43.16832 166.4727 10.30414 -24.41614      44.38107 
1 1 1 -13 12 31 o 204.7113 8.494672 1236.866       101.7641 1142.719       375.3806 1244.334       105.7231 187.2786 35.47530 205.2807 8.802005 -18.00217      36.55096 
1 1 1 -13 12 32 o 427.6826 8.149603 5390.855       204.4130 5344.263       532.2706 5398.915       221.3900 418.9228 21.73883 427.8166 8.823681 -8.893829      23.46133 
1 1 1 -13 12 33 o 269.3264 7.962404 2140.188       125.6309 2301.542       422.7015 2124.553       131.5766 270.9387 26.95922 268.2529 8.373672 2.685822       28.22974 
1 1 1 -13 12 34 o 181.3279 9.366076 974.3598       99.26558 1424.352       372.2646 939.9144       102.9948 209.6435 31.22913 177.9743 9.906597 31.66927       32.76277 
1 1 1 -13 12 35 o 245.4574 8.316322 1781.148       119.5447 1607.774       390.4181 1799.084       125.5763 222.2207 30.78241 246.5985 8.696553 -24.37782      31.98729 
1 1 1 -13 12 36 o 32.14706 15.50298 -130.0814      87.37131 -365.4465      360.4988 -115.3934      90.05626 67.71719 32.34758 33.86466 16.17421 33.85253       36.16588 
1 1 1 -13 12 37 o 74.69923 19.07048 178.5057       83.82268 -199.9472      358.0260 200.4534       86.21899 72.59100 33.92503 79.19685 18.83849 -6.605843      38.80460 
1 1 1 -13 12 38 o 52.44221 20.13807 64.07835       86.98534 -468.3812      373.2407 94.65952       89.44843 63.91928 31.10998 57.95905 20.75469 5.960232       37.39770 
1 1 1 -13 12 39 o 170.8683 10.01485 875.7255       99.91902 857.2228       384.4235 877.0660       103.4754 143.4681 42.60014 170.8602 10.37523 -27.39209      43.84538 
1 1 1 -13 12 40 o 36.70340 16.83854 -48.51577      82.31061 -58.32850      341.1806 -47.90934      84.81586 73.82428 34.01923 37.41732 17.13877 36.40696       38.09259 
1 1 1 -13 12 41 f 69.27770 19.95811 158.6689       85.49489 85.55840       318.4165 164.3491       88.75397 78.16161 34.71946 70.39106 20.35203 7.770546       40.24482 
1 1 1 -13 12 42 o 52.33191 19.69405 73.64673       82.16210 -9.950006      109.4583 181.5385       124.3507 46.25512 20.46119 73.07107 24.56337 -26.81595      31.96904 
1 1 1 -13 12 43 o 52.05214 20.27547 67.48204       89.11206 96.53788       128.8030 40.80559       123.4165 60.83947 24.16800 53.66121 22.71362 7.178261       33.16626 
1 1 1 -13 12 44 o 172.4238 10.78738 907.1439       108.5381 936.5246       154.4150 878.4523       152.5934 171.7349 15.49794 165.9897 15.86779 5.745148       22.18046 
1 1 1 -13 12 45 o 84.54433 21.82056 252.3255       108.9231 306.8682       158.2536 203.2276       150.1471 89.34286 27.50780 74.80161 26.87731 14.54124       38.45866 
1 1 1 -13 12 46 o 107.3924 18.33251 385.9070       111.3227 369.9761       167.7291 398.4496       148.8282 97.23164 27.93708 104.0302 24.75402 -6.798592      37.32615 
1 1 1 -13 12 47 o 162.9785 13.36289 836.8725       126.6059 679.0822       191.7135 958.9103       168.6007 135.8218 24.98810 170.9410 17.04450 -35.11917      30.24764 
1 1 1 -13 12 48 o 56.80830 23.61629 77.28410       129.7659 216.0854       197.6124 -27.94541      172.0624 75.09432 29.90119 52.93922 24.30869 22.15510       38.53561 
1 1 1 -13 13 1  o 439.9559 16.79072 5704.450       432.4452 5704.450       432.4452 0.000000       0.000000 439.9559 16.79072 ?        ?        0.000000       16.79072 
1 1 1 -13 13 2  o 353.0032 11.25602 3663.686       232.7332 3475.535       299.1383 3952.232       370.4472 343.4662 14.88572 366.0195 17.30626 -22.55331      22.82743 
1 1 1 -13 13 3  o 540.5798 12.12549 8585.443       384.4231 8621.280       610.0252 8561.838       495.1019 540.5886 19.27196 539.2689 15.67111 1.319702       24.83932 
1 1 1 -13 13 4  o 622.4681 12.99625 11387.08       474.4447 11049.71       764.5389 11598.36       605.0384 611.6702 21.34508 627.5869 16.45255 -15.91675      26.94994 
1 1 1 -13 13 5  o 454.1305 10.85345 6057.073       289.0673 6134.076       451.6406 6003.640       376.2218 456.1886 16.91026 451.6475 14.22117 4.541077       22.09522 
1 1 1 -13 13 6  o 392.1924 10.19921 4519.882       234.3946 4772.244       365.9685 4344.359       305.2104 402.4552 15.53431 384.1842 13.56724 18.27100       20.62486 
1 1 1 -13 13 7  o 176.0128 10.54042 913.1346       108.3075 944.7770       142.9855 870.5402       165.8949 178.7344 13.74611 171.1551 16.74078 7.579346       21.66124 
1 1 1 -13 13 8  o 246.5856 9.235318 1787.766       133.3220 1719.527       183.7430 1863.638       193.7462 241.5040 13.02101 251.4321 13.18506 -9.928070      18.53086 
1 1 1 -13 13 9  o 591.9870 12.28757 10300.91       426.6077 10307.67       712.3442 10297.13       532.7004 590.5638 20.59862 591.2848 15.37462 -0.7210083     25.70373 
1 1 1 -13 13 10 o 318.0932 9.263769 2973.891       172.6354 3234.224       267.3411 2787.690       226.0959 331.2885 13.78985 307.6636 12.55682 23.62497       18.65030 
1 1 1 -13 13 11 o 154.0977 10.39124 700.8479       93.36139 569.1876       116.3106 939.3439       156.5426 138.2996 14.55805 177.9727 15.14146 -39.67314      21.00478 
1 1 1 -13 13 12 f 211.0977 8.833899 1311.020       109.1253 1261.075       147.2643 1371.844       162.5132 206.7179 12.20126 215.5571 12.91432 -8.839127      17.76655 
1 1 1 -13 13 13 f 392.5849 8.849946 4527.006       203.7627 4417.554       288.6169 4635.774       287.7132 387.2595 12.72504 396.7664 12.37959 -9.506866      17.75334 
1 1 1 -13 13 14 o 429.1327 9.025465 5410.300       227.1495 5418.866       331.7642 5402.742       311.6539 428.8116 13.20780 428.2951 12.42047 0.5164795      18.13047 
1 1 1 -13 13 15 o 104.1761 18.68512 330.5767       109.9660 89.00810       325.3736 361.7274       116.8413 91.16406 37.60028 109.0409 18.95865 -17.87682      42.10952 
1 1 1 -13 13 16 o 697.0032 12.04265 14303.68       492.2746 14058.23       692.0698 14555.06       700.3672 689.5787 17.11258 701.6894 17.01886 -12.11072      24.13466 
1 1 1 -13 13 17 o 322.0391 8.083197 3049.182       152.5453 3025.042       221.3101 3071.033       210.5549 320.2835 11.80210 322.8108 11.13828 -2.527252      16.22809 
1 1 1 -13 13 18 o 205.2011 10.60193 1242.740       127.1569 1221.662       333.5271 1246.324       137.5454 199.2551 29.42530 205.3862 11.46440 -6.131195      31.57975 
1 1 1 -13 13 19 f 288.4119 6.987543 2443.628       118.1920 2082.930       402.1115 2477.737       123.6541 261.8740 26.54848 290.3058 7.268487 -28.43179      27.52549 
1 1 1 -13 13 20 o 209.1729 7.965793 1288.133       97.54176 1502.778       361.3296 1271.261       101.3028 221.1581 28.52139 207.7577 8.330962 13.40038       29.71320 
1 1 1 -13 13 21 o 364.4198 7.369391 3903.421       157.5013 3698.814       438.4400 3933.738       168.7667 351.0798 21.39542 365.7722 7.867296 -14.69241      22.79601 
1 1 1 -13 13 22 o 101.2398 11.94163 306.6831       69.54041 114.6595       347.3505 314.7010       70.97739 93.87507 38.79665 102.5575 12.02889 -8.682472      40.61864 
1 1 1 -13 13 23 o 161.7581 8.710916 772.3818       82.33330 1029.474       325.0096 754.7518       85.10948 180.5765 31.85295 159.8453 9.116585 20.73122       33.13189 
1 1 1 -13 13 24 o 227.3276 7.381704 1521.262       98.28407 1245.600       355.0902 1544.133       102.2800 199.0039 31.46998 229.0022 7.626174 -29.99832      32.38083 
1 1 1 -13 13 25 o 416.1510 9.142903 5100.620       223.1442 4541.012       478.3598 5256.259       252.2734 388.4877 21.07444 422.2298 10.18761 -33.74203      23.40767 
1 1 1 -13 13 26 o 293.6684 7.529168 2538.040       129.5676 1996.030       387.4317 2606.293       137.4836 255.1552 26.26524 297.5418 7.885615 -42.38657      27.42346 
1 1 1 -13 13 27 o 93.10940 17.52748 266.3484       92.20025 116.0182       380.7595 275.7122       95.02837 96.94798 40.39052 94.72334 17.75815 2.224632       44.12194 
1 1 1 -13 13 28 o 387.4759 8.069656 4417.952       183.3793 4502.100       512.8947 4405.619       196.3588 385.8992 22.76340 386.8336 8.655173 -0.9343262     24.35332 
1 1 1 -13 13 29 o 269.3181 7.846125 2136.229       123.7964 2528.873       452.8753 2104.520       128.6982 286.4812 27.28360 267.2531 8.220835 19.22812       28.49520 
1 1 1 -13 13 30 o 288.3922 7.862578 2450.236       132.8598 2363.111       421.1853 2459.864       140.0080 276.8052 26.25872 288.8871 8.272210 -12.08188      27.53089 
1 1 1 -13 13 31 o 245.0683 7.926951 1770.844       113.7816 2084.664       444.4613 1748.835       117.7038 257.0989 30.04269 243.4827 8.254684 13.61618       31.15611 
1 1 1 -13 13 32 o 233.7814 8.621429 1614.310       118.0036 0.000000       0.000000 1614.310       118.0036 ?        ?        233.7814 8.621429 0.000000       8.621429 
1 1 1 -13 13 33 o 355.6852 7.885375 3729.905       164.4896 3946.887       476.1129 3700.495       175.2828 358.2420 22.77918 354.1414 8.439408 4.100616       24.29228 
1 1 1 -13 13 34 f 114.5187 13.87294 396.9221       91.27670 300.8625       411.9058 401.8827       93.60382 107.9057 43.10214 115.1694 14.15559 -7.263733      45.36712 
1 1 1 -13 13 35 o 136.4753 12.30721 559.3626       97.44905 1150.083       432.5602 527.7787       100.0203 179.0107 41.94031 132.3385 13.05691 46.67220       43.92576 
1 1 1 -13 13 36 o 132.6245 11.99431 529.2293       92.28568 -165.9934      399.5846 568.4018       94.84998 79.05258 36.56601 137.5143 11.87715 -58.46176      38.44659 
1 1 1 -13 13 37 o 101.1057 15.69164 317.5711       90.03077 -189.6734      386.6691 346.6466       92.57512 75.36964 35.23419 105.8362 15.36301 -30.46655      38.43788 
1 1 1 -13 13 38 o 106.3554 14.95634 351.0158       90.71638 85.68740       370.6690 367.9205       93.56164 85.07429 37.64206 108.8901 15.05290 -23.81584      40.54028 
1 1 1 -13 13 39 f 174.9987 9.732085 918.0552       99.48950 729.3883       386.0209 931.4792       102.9681 130.2537 43.26863 176.1676 10.00728 -45.91394      44.41081 
1 1 1 -13 13 40 o 107.8405 14.32937 361.8992       88.38660 665.3718       365.7961 343.0826       91.08556 123.6074 42.12561 104.5408 15.31010 19.06656       44.82150 
1 1 1 -13 13 41 o 68.17297 20.73194 154.1213       90.24927 86.27570       326.3323 159.7401       93.91206 78.17738 34.91034 69.27631 21.16458 8.901062       40.82488 
1 1 1 -13 13 42 o 124.0981 13.59975 479.3582       97.36048 730.4836       349.1170 458.1807       101.3826 125.6478 41.12196 120.7705 14.61036 4.877281       43.64033 
1 1 1 -13 13 43 o 93.48794 17.54330 286.5765       92.65520 361.9442       132.2637 213.9474       129.8385 102.0253 22.69097 77.60076 25.05465 24.42458       33.80260 
1 1 1 -13 13 44 o 64.84583 21.81581 141.6620       98.08681 331.3880       142.3028 -30.07080      135.3869 95.13805 25.13284 48.53501 22.00648 46.60304       33.40577 
1 1 1 -13 13 45 o 69.35855 22.56693 168.8160       105.2160 98.23277       155.4413 228.5022       142.9395 62.43768 25.89243 78.29762 26.33550 -15.85994      36.93206 
1 1 1 -13 13 46 f 102.2555 19.77848 358.5430       114.3226 391.4355       171.1852 332.0631       153.5947 99.60926 28.09370 92.71723 26.76309 6.892029       38.80102 
1 1 1 -13 13 47 o 104.7378 20.02479 379.2768       118.5230 423.1768       185.7508 349.1290       153.9313 101.5674 29.46568 94.73567 26.61265 6.831734       39.70465 
1 1 1 -13 13 48 o 128.9523 18.23977 560.5278       134.0965 637.3179       196.4935 493.5876       183.4589 128.3826 26.95674 110.9947 28.14681 17.38787       38.97318 
1 1 1 -13 14 1  o 527.4642 13.63299 8184.590       421.3767 8008.902       574.6734 8388.891       619.7044 521.0093 18.83825 533.0626 19.85709 -12.05328      27.37122 
1 1 1 -13 14 2  o 782.9861 26.63459 18173.27       1221.287 0.000000       0.000000 18173.27       1221.287 ?        ?        782.9861 26.63459 0.000000       26.63459 
1 1 1 -13 14 3  o 551.9769 13.90873 8964.074       449.8966 8683.324       614.2015 9289.097       660.8568 542.4158 19.33853 560.8929 20.12247 -18.47705      27.90864 
1 1 1 -13 14 4  o 402.8050 10.36320 4768.263       244.6124 4852.821       371.0413 4703.259       325.3190 405.8035 15.61952 399.6984 13.89914 6.105164       20.90826 
1 1 1 -13 14 5  o 651.1199 13.32456 12464.40       508.8202 12781.90       863.1773 12295.33       629.8934 657.4266 22.42013 646.0084 16.63949 11.41821       27.92015 
1 1 1 -13 14 6  o 211.0367 9.633865 1310.535       118.9220 1326.858       158.4483 1289.479       179.9602 212.0699 12.79924 208.8346 14.78911 3.235352       19.55859 
1 1 1 -13 14 7  o 945.6265 18.07764 26358.12       1002.563 25816.34       1691.269 26651.63       1244.865 930.6879 31.02885 949.5775 22.35329 -18.88953      38.24212 
1 1 1 -13 14 8  o 323.6994 9.287855 3079.570       176.1403 3294.985       271.9058 2923.807       231.2124 334.3809 13.89549 315.1013 12.53655 19.27963       18.71496 
1 1 1 -13 14 9  o 156.0117 10.52308 718.3754       95.71992 723.0977       124.1813 711.4623       150.2507 156.1771 13.69627 154.4691 16.85868 1.707993       21.72103 
1 1 1 -13 14 10 o 452.1076 10.47685 6006.377       277.7943 6369.896       460.1574 5797.923       348.4554 464.5056 16.91964 443.6975 13.40628 20.80804       21.58709 
1 1 1 -13 14 11 o 378.1356 9.599262 4203.476       212.7084 4103.943       326.6270 4276.772       280.2915 372.9563 14.96326 381.0814 12.55843 -8.125122      19.53492 
1 1 1 -13 14 12 o 272.6367 8.497206 2185.222       135.7002 2150.048       187.1012 2224.260       197.1077 270.1065 11.83988 274.6880 12.26621 -4.581512      17.04824 
1 1 1 -13 14 13 o 88.17828 18.00692 237.9997       89.96958 285.7622       95.48230 -140.1662      268.6706 96.92256 17.43876 68.73344 31.09908 28.18913       35.65477 
1 1 1 -13 14 14 f 550.8618 12.04525 8931.512       389.1429 9058.070       482.1428 8694.991       659.1182 554.0195 14.85224 541.1394 20.80720 12.88007       25.56421 
1 1 1 -13 14 15 o 445.0564 11.84964 5835.409       309.0182 5794.789       431.0178 5878.373       443.2753 442.5075 16.63789 445.6046 16.99300 -3.097076      23.78195 
1 1 1 -13 14 16 o 306.4857 7.962822 2761.736       143.0078 2762.945       207.6430 2760.646       197.2445 306.1048 11.58728 306.0600 11.00666 0.4486084E-01  15.98160 
1 1 1 -13 14 17 o 534.0530 8.960434 8386.294       280.6493 8425.569       699.0502 8378.747       306.4287 531.0410 22.49649 533.6722 9.790489 -2.631226      24.53458 
1 1 1 -13 14 18 o 210.8211 7.614706 1307.793       93.99477 1506.379       371.9333 1294.244       97.14825 221.4184 29.36511 209.6960 7.913605 11.72246       30.41274 
1 1 1 -13 14 19 o 292.0034 7.590400 2507.727       129.8777 0.000000       0.000000 2507.727       129.8777 ?        ?        292.0034 7.590400 0.000000       7.590400 
1 1 1 -13 14 20 o 245.2765 7.355814 1769.793       105.6930 1498.043       373.8983 1793.394       110.1870 220.1577 29.71611 246.8793 7.619305 -26.72165      30.67737 
1 1 1 -13 14 21 o 153.2265 8.657131 693.0496       77.47974 435.8654       332.8849 707.7803       79.66773 119.6819 40.18898 154.8334 8.809739 -35.15150      41.14323 
1 1 1 -13 14 22 o 197.5593 7.795552 1149.698       90.14496 1433.307       378.5620 1132.650       92.81481 214.1655 31.04357 196.0526 8.089622 18.11298       32.08030 
1 1 1 -13 14 23 f 170.7717 8.283183 860.1835       82.71161 664.6702       325.8296 873.6501       85.51268 142.7429 38.17876 172.0800 8.499542 -29.33710      39.11342 
1 1 1 -13 14 24 o 138.3672 10.22361 567.5124       82.37775 215.4120       317.5595 592.9157       85.29769 98.27641 38.27667 141.4271 10.35559 -43.15068      39.65277 
1 1 1 -13 14 25 o 96.04128 15.28994 280.2914       83.23750 0.000000       0.000000 280.2914       83.23750 ?        ?        96.04128 15.28994 0.000000       15.28994 
1 1 1 -13 14 26 o 29.38239 14.52811 -207.5068      92.10462 -688.1747      377.6758 -177.1120      94.97208 62.36524 30.55492 31.69138 15.48321 30.67386       34.25395 
1 1 1 -13 14 27 o 177.4799 10.28235 931.8708       106.5684 0.000000       0.000000 931.8708       106.5684 ?        ?        177.4799 10.28235 0.000000       10.28235 
1 1 1 -13 14 28 o 95.32044 16.46239 277.8070       88.70375 386.8457       380.7313 271.5486       91.21387 116.6481 42.67266 94.06481 17.16654 22.58326       45.99615 
1 1 1 -13 14 29 o 180.8695 9.202927 966.7073       97.29979 988.8602       409.4401 965.3813       100.1693 171.9024 41.15823 180.7020 9.485162 -8.799622      42.23704 
1 1 1 -13 14 30 o 144.0844 11.29574 617.6395       94.68878 216.5321       427.1810 638.3654       97.10434 106.0647 43.34078 146.4782 11.39309 -40.41346      44.81323 
1 1 1 -13 14 31 o 167.0391 12.07946 831.4764       117.5364 330.7167       392.8148 880.7181       123.1799 110.7530 42.72547 171.8887 12.30048 -61.13571      44.46086 
1 1 1 -13 14 32 o 267.0749 7.997541 2104.685       125.1269 1551.996       452.9863 2150.339       130.1923 215.8848 37.11534 269.9085 8.234296 -54.02373      38.01778 
1 1 1 -13 14 33 o 249.6014 8.018657 1839.380       117.2291 2088.180       407.0696 1816.880       122.4151 257.1043 27.41921 247.9801 8.429454 9.124176       28.68569 
1 1 1 -13 14 34 o 197.0460 9.227622 1150.756       106.3408 1034.216       388.1922 1160.211       110.5704 172.2466 39.29895 197.7788 9.560865 -25.53215      40.44524 
1 1 1 -13 14 35 o 157.9441 10.39207 743.7305       95.72742 265.0212       384.1220 775.4299       98.84608 101.8444 41.29086 161.2590 10.50890 -59.41467      42.60719 
1 1 1 -13 14 36 o 225.6217 8.427417 1509.595       111.3171 1226.140       426.2151 1530.345       115.3197 181.9450 40.93591 227.0940 8.674545 -45.14902      41.84491 
1 1 1 -13 14 37 o 111.6784 14.05617 383.1341       90.02859 585.7567       403.5560 372.5218       92.35613 121.3095 43.99996 109.8691 14.70174 11.44044       46.39114 
1 1 1 -13 14 38 o 255.9189 8.083946 1946.486       121.1801 2408.141       423.8311 1905.386       126.4592 267.1121 27.44509 253.0070 8.534724 14.10509       28.74151 
1 1 1 -13 14 39 o 210.7623 9.042971 1327.529       111.5175 1230.557       404.0436 1335.526       116.0243 175.0362 40.20696 211.2431 9.388628 -36.20695      41.28857 
1 1 1 -13 14 40 o 92.88864 19.19279 282.8632       101.0964 415.9527       371.5423 272.2216       105.0604 101.8911 40.85571 90.57449 20.28340 11.31659       45.61365 
1 1 1 -13 14 41 o 42.15692 18.68896 -14.37318      91.80568 105.3036       343.6310 -23.57184      95.26858 79.61746 35.66881 41.98362 18.79693 37.63384       40.31859 
1 1 1 -13 14 42 o 63.84084 20.84859 134.2097       89.76083 -290.6322      345.2252 165.0129       92.95794 62.75695 30.39830 69.82886 20.99935 -7.071907      36.94630 
1 1 1 -13 14 43 o 83.75960 18.04318 233.3372       86.01392 126.6657       115.5023 366.1455       128.8781 63.45348 23.45409 102.8339 22.03246 -39.38042      32.17955 
1 1 1 -13 14 44 o 112.1012 16.04296 406.0927       102.4704 325.1306       143.9662 489.2247       145.8828 93.69902 25.51555 118.9932 21.70354 -25.29414      33.49757 
1 1 1 -13 14 45 o 79.64365 22.58723 227.6043       110.3439 224.4778       174.6951 229.6797       142.3307 77.29009 28.79256 78.34223 26.27873 -1.052139      38.98183 
1 1 1 -13 14 46 o 77.87062 24.08607 224.6209       121.1659 366.4512       180.7269 108.8192       163.3037 94.60502 29.44161 63.47426 26.44869 31.13076       39.57704 
1 1 1 -13 14 47 o 132.4302 17.38114 581.3491       131.7390 437.1597       194.7950 702.8858       178.8401 102.1705 30.32135 140.7731 22.41253 -38.60259      37.70551 
1 1 1 -13 15 1  o 604.4432 21.67188 10805.20       767.0067 0.000000       0.000000 10805.20       767.0067 ?        ?        604.4432 21.67188 0.000000       21.67188 
1 1 1 -13 15 2  o 904.7354 21.16739 24171.27       1123.154 23514.49       1548.694 24899.96       1631.283 888.8695 29.75017 914.3837 30.46190 -25.51422      42.57933 
1 1 1 -13 15 3  o 514.1116 13.21812 7777.220       398.2148 7897.873       558.5903 7652.537       567.8452 517.2527 18.44318 509.0313 19.05470 8.221436       26.51853 
1 1 1 -13 15 4  o 565.3546 12.18188 9395.294       403.9111 8989.009       633.5114 9673.568       524.2956 551.5964 19.61437 573.0120 15.61590 -21.41559      25.07149 
1 1 1 -13 15 5  o 193.6203 9.781394 1103.876       110.7116 1038.077       141.8784 1206.321       177.0332 187.4394 12.98669 201.8863 15.06044 -14.44691      19.88645 
1 1 1 -13 15 6  o 407.7809 10.05783 4884.720       240.5369 4771.448       366.2066 4970.671       318.9996 402.2364 15.55297 410.8748 13.25558 -8.638489      20.43540 
1 1 1 -13 15 7  o 340.2925 9.590135 3404.059       191.2028 3684.968       292.6270 3194.782       252.5757 353.5675 14.14062 329.2990 13.10445 24.26843       19.27910 
1 1 1 -13 15 8  o 691.1233 13.87116 14058.19       562.2364 14373.14       962.2769 13894.94       692.7897 696.0161 23.60801 686.2033 17.22827 9.812744       29.22587 
1 1 1 -13 15 9  o 165.7080 10.09582 809.8386       97.64949 778.9156       129.5999 850.4493       148.5200 162.0941 13.76286 169.2446 15.12218 -7.150574      20.44741 
1 1 1 -13 15 10 o 215.1954 9.201857 1362.894       115.8658 1426.481       160.1224 1293.005       167.8699 219.8421 12.47025 209.1147 13.76447 10.72739       18.57331 
1 1 1 -13 15 11 o 308.3620 8.964233 2795.783       161.9434 2999.158       251.4045 2651.547       211.7198 318.8665 13.47391 299.9663 12.05937 18.90012       18.08244 
1 1 1 -13 15 12 o 112.0054 15.37674 376.7991       98.34426 427.8416       104.7485 -2.749073      285.6378 119.4925 15.29750 79.77045 34.18384 39.72205       37.45061 
1 1 1 -13 15 13 o 511.2030 20.51960 7760.779       613.9448 0.000000       0.000000 7760.779       613.9448 ?        ?        511.2030 20.51960 0.000000       20.51960 
1 1 1 -13 15 14 o 266.4315 15.03550 2101.667       233.9850 1696.069       356.6666 2408.119       310.0237 236.8346 26.11119 284.5461 18.68101 -47.71147      32.10567 
1 1 1 -13 15 15 o 132.6465 24.35270 541.2220       182.4701 672.6559       326.9674 481.7735       219.8978 145.5327 37.92943 123.9899 30.46280 21.54288       48.64796 
1 1 1 -13 15 16 f 561.3778 9.237229 9268.228       304.1218 9473.034       746.9693 9227.532       332.9684 563.0155 22.66839 559.9772 10.13870 3.038330       24.83242 
1 1 1 -13 15 17 o 414.7551 7.806128 5055.712       189.8794 5190.191       514.1900 5034.478       204.3211 416.7799 21.10485 413.8073 8.419081 2.972626       22.72214 
1 1 1 -13 15 18 o 96.28934 13.69739 279.2585       75.17197 359.3034       376.5438 275.9359       76.71626 115.7226 42.42067 95.62971 14.10136 20.09292       44.70303 
1 1 1 -13 15 19 o 195.8594 8.651039 1130.643       99.12666 0.000000       0.000000 1130.643       99.12666 ?        ?        195.8594 8.651039 0.000000       8.651039 
1 1 1 -13 15 20 o 137.9990 9.762583 563.6454       78.50166 357.6900       344.6664 574.9140       80.62061 113.0188 40.70757 139.3564 9.929399 -26.33769      41.90107 
1 1 1 -13 15 21 o 291.5395 7.101926 2498.533       121.4294 2304.471       394.6964 2518.821       127.6191 275.2482 24.71332 292.5916 7.443141 -17.34341      25.80985 
1 1 1 -13 15 22 o 205.5190 7.643872 1243.970       91.97263 1425.772       391.4401 1233.346       94.62154 212.8772 32.37196 204.6082 7.900114 8.269028       33.32200 
1 1 1 -13 15 23 o 273.4229 7.354693 2200.007       117.8299 1968.948       382.1351 2224.284       123.8653 253.4803 26.07685 274.8833 7.690914 -21.40294      27.18735 
1 1 1 -13 15 24 o 164.4402 9.102172 798.7657       87.43914 351.4113       371.4927 825.0028       89.96674 113.5077 42.04328 167.1120 9.215275 -53.60433      43.04136 
1 1 1 -13 15 25 o 239.8770 7.922471 1694.639       111.3022 1644.760       418.5294 1698.435       115.4598 228.9702 32.04322 240.1074 8.211345 -11.13728      33.07861 
1 1 1 -13 15 26 o 254.4411 8.277186 1907.176       123.3509 2406.418       441.6209 1864.931       128.4637 279.9598 27.24104 251.5405 8.721266 28.41927       28.60305 
1 1 1 -13 15 27 o 194.6087 9.457921 1118.539       107.6233 0.000000       0.000000 1118.539       107.6233 ?        ?        194.6087 9.457921 0.000000       9.457921 
1 1 1 -13 15 28 o 172.3216 9.974924 878.7146       100.3783 419.9844       429.5769 905.2081       103.2362 121.4807 45.17046 174.8874 10.10828 -53.40673      46.28766 
1 1 1 -13 15 29 o 349.0956 8.558652 3590.515       175.2267 0.000000       0.000000 3590.515       175.2267 ?        ?        349.0956 8.558652 0.000000       8.558652 
1 1 1 -13 15 30 o 326.3034 7.901089 3136.385       151.2026 3245.990       480.6391 3124.346       159.2899 324.2924 25.47595 325.4852 8.351516 -1.192841      26.80993 
1 1 1 -13 15 31 o 339.8157 7.860816 3403.009       156.6613 2916.834       486.7912 3459.180       165.4640 305.2316 27.48750 342.5257 8.236826 -37.29410      28.69509 
1 1 1 -13 15 32 o 200.5589 8.829140 1189.807       103.5965 1449.100       414.1143 1172.497       106.9987 209.4496 34.94273 199.0195 9.191931 10.43008       36.13151 
1 1 1 -13 15 33 o 331.3036 7.884620 3237.625       153.1995 2794.245       483.2960 3287.153       161.5297 296.7441 28.10526 333.7346 8.252789 -36.99048      29.29188 
1 1 1 -13 15 34 o 124.0966 13.27642 465.0945       95.12575 618.3802       443.3960 457.6988       97.39352 131.1261 46.28522 122.9698 13.73908 8.156311       48.28131 
1 1 1 -13 15 35 o 330.3871 8.024426 3226.905       155.4846 2741.004       457.9935 3290.202       165.3020 291.6044 27.09003 333.3569 8.461929 -41.75253      28.38088 
1 1 1 -13 15 36 o 36.06010 16.63919 -58.07828      82.01089 8.633097       345.0430 -62.07268      84.43044 80.55379 35.93936 36.35771 16.81417 44.19608       39.67813 
1 1 1 -13 15 37 o 75.44765 18.86977 184.1741       83.27370 -86.19168      356.3270 199.7934       85.64532 75.56361 34.80102 78.60468 18.82657 -3.041061      39.56704 
1 1 1 -13 15 38 o 201.4770 8.923717 1211.746       105.1824 966.4257       382.2436 1231.843       109.4060 153.5690 41.47428 203.0267 9.212348 -49.45766      42.48509 
1 1 1 -13 15 39 o 157.5661 10.62767 749.2590       97.63448 780.2424       362.5916 746.8370       101.3789 135.0755 41.64660 157.1211 11.07268 -22.04561      43.09343 
1 1 1 -13 15 40 o 32.65236 15.59292 -99.73075      83.63461 -95.49657      347.5466 -99.99102      86.16673 71.37289 33.37830 33.30731 15.88396 38.06558       36.96500 
1 1 1 -13 15 41 o 43.34948 18.88465 0.5073087      90.06027 -296.5212      345.5700 22.15139       93.28387 62.96153 30.47731 46.60184 19.73729 16.35969       36.31015 
1 1 1 -13 15 42 o 218.9788 9.262343 1444.144       118.6838 1215.316       401.6643 1466.033       124.2309 162.9907 41.81707 220.3982 9.634331 -57.40752      42.91256 
1 1 1 -13 15 43 o 37.77398 18.30590 -169.2130      125.5856 -143.9541      368.4799 -172.5327      133.5835 68.11576 32.58299 39.18575 18.96368 28.93002       37.69977 
1 1 1 -13 15 44 o 112.2768 17.26823 414.1662       110.0700 435.9176       159.9989 394.6229       151.6606 108.6396 25.54429 103.4624 25.22553 5.177216       35.90039 
1 1 1 -13 15 45 o 83.62547 22.19455 250.3783       110.6468 254.4223       161.7086 246.8183       151.7246 81.02933 27.99559 80.30729 27.13295 0.7220383      38.98653 
1 1 1 -13 15 46 o 125.5556 18.02131 526.5349       128.9021 566.3295       193.2902 494.6620       172.9853 120.5159 27.89881 113.9249 26.40661 6.591011       38.41422 
1 1 1 -13 15 47 f 38.30345 18.57870 -164.6993      130.0904 -156.3295      195.6213 -171.3357      174.1894 49.00016 23.51894 45.33596 21.86994 3.664200       32.11596 
1 1 1 -13 16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 16 2  f 735.7961 25.17585 16076.26       1084.806 0.000000       0.000000 16076.26       1084.806 ?        ?        735.7961 25.17585 0.000000       25.17585 
1 1 1 -13 16 3  o 582.4443 14.46929 9986.143       494.2562 9706.897       676.4148 10306.04       723.9741 572.8631 20.16460 590.0979 20.95261 -17.23480      29.07960 
1 1 1 -13 16 4  o 465.0586 10.91494 6356.308       297.7004 6458.408       467.1717 6286.501       386.2901 467.7218 17.05951 461.9143 14.27655 5.807465       22.24515 
1 1 1 -13 16 5  o 339.0587 9.609217 3379.779       190.8865 3268.629       272.7740 3486.450       267.2203 332.9477 14.00060 343.9753 13.27111 -11.02756      19.29091 
1 1 1 -13 16 6  o 602.1974 12.54295 10667.36       442.9850 10791.14       738.1968 10597.70       553.7784 603.6619 20.88250 599.4816 15.76473 4.180237       26.16497 
1 1 1 -13 16 7  o 174.5408 9.641595 897.7666       98.31181 919.8514       127.3147 865.1474       154.7278 176.4024 12.38489 170.6302 15.63550 5.772171       19.94629 
1 1 1 -13 16 8  o 403.9257 9.928569 4794.591       235.2007 4709.917       362.0038 4856.445       309.4035 399.4383 15.48232 406.0063 13.01077 -6.568024      20.22332 
1 1 1 -13 16 9  o 407.0970 9.867433 4870.571       235.5876 4890.395       372.6944 4857.379       304.0349 406.9471 15.64495 406.0414 12.78333 0.9057617      20.20341 
1 1 1 -13 16 10 o 195.1394 9.143368 1121.326       104.3500 1195.644       147.5866 1047.035       147.5597 201.1538 12.57319 188.0738 13.46707 13.07999       18.42409 
1 1 1 -13 16 11 o 307.3957 8.751962 2778.587       157.6200 2601.605       232.4635 2929.192       214.4423 296.8752 13.38595 315.2950 11.61679 -18.41980      17.72380 
1 1 1 -13 16 12 o 216.1492 11.99622 1379.673       151.4753 0.000000       0.000000 1379.673       151.4753 ?        ?        216.1492 11.99622 0.000000       11.99622 
1 1 1 -13 16 13 o 125.9842 33.79966 497.8724       254.8906 0.000000       0.000000 497.8724       254.8906 ?        ?        125.9842 33.79966 0.000000       33.79966 
1 1 1 -13 16 14 o 589.6170 15.18330 10277.01       524.5963 0.000000       0.000000 10277.01       524.5963 ?        ?        589.6170 15.18330 0.000000       15.18330 
1 1 1 -13 16 15 o 229.8956 7.572532 1554.600       101.9599 1726.289       392.1139 1542.149       105.5921 237.6644 28.71311 228.9434 7.875895 8.721039       29.77369 
1 1 1 -13 16 16 f 359.2601 7.544163 3792.821       158.9537 3292.612       440.3344 3867.769       170.4465 331.1417 22.81289 362.7430 8.011957 -31.60135      24.17890 
1 1 1 -13 16 17 o 452.4403 8.229712 6018.882       218.3717 6085.392       564.0089 6007.153       236.8444 450.9701 21.38586 451.8901 8.936755 -0.9199524     23.17802 
1 1 1 -13 16 18 o 232.2248 7.626895 1586.999       103.7331 1457.572       380.9576 1597.364       107.8067 216.7102 30.84390 232.9525 7.902367 -16.24232      31.84013 
1 1 1 -13 16 19 o 74.00670 17.41352 169.2656       74.31097 0.000000       0.000000 169.2656       74.31097 ?        ?        74.00670 17.41352 0.000000       17.41352 
1 1 1 -13 16 20 o 152.2921 8.937219 685.0693       79.47255 316.0581       352.7457 704.8015       81.56969 109.6789 40.90295 154.4639 9.043897 -44.78491      41.89085 
1 1 1 -13 16 21 o 129.2799 10.54274 496.0691       79.24121 551.6403       358.1827 493.2093       81.25459 131.2731 41.53310 128.8580 10.85270 2.415146       42.92761 
1 1 1 -13 16 22 o 154.1097 9.233426 701.9904       83.07057 924.5115       388.3163 691.3185       85.03922 167.6735 40.04163 152.8898 9.531384 14.78371       41.16041 
1 1 1 -13 16 23 o 137.2071 10.42224 558.3148       83.23904 515.6090       371.7383 560.5690       85.40772 127.9839 42.45890 137.4471 10.67898 -9.463226      43.78127 
1 1 1 -13 16 24 o 229.1891 8.236649 1547.706       110.5320 1231.525       450.6482 1567.944       114.0147 193.6611 40.95894 230.6568 8.442626 -36.99576      41.82000 
1 1 1 -13 16 25 o 160.7477 10.69099 765.5084       100.2162 667.5411       419.5243 771.4371       103.2040 142.8477 44.91667 161.3280 10.97309 -18.48029      46.23760 
1 1 1 -13 16 26 o 272.0406 10.67214 2186.641       169.9387 1876.141       438.8960 2241.401       184.3158 244.9708 31.26021 275.2768 11.44169 -30.30598      33.28833 
1 1 1 -13 16 27 o 143.4250 13.93754 615.4198       115.7596 65.78241       380.3721 671.5224       121.5240 93.36424 39.71143 149.8661 13.98793 -56.50189      42.10297 
1 1 1 -13 16 28 o 79.29340 21.86099 195.8409       104.9334 -735.3492      394.9473 266.5671       108.8454 62.93352 30.91707 92.38715 20.61255 -29.45363      37.15834 
1 1 1 -13 16 29 o 69.53460 20.59145 148.3733       89.91500 49.28942       374.2022 154.4446       92.62879 90.87321 39.03703 70.86124 20.87804 20.01197       44.26943 
1 1 1 -13 16 30 o 187.2894 9.432665 1038.306       103.2756 959.2899       424.2343 1043.284       106.4789 166.1395 43.15671 187.6875 9.706347 -21.54799      44.23477 
1 1 1 -13 16 31 o 148.8159 11.12112 659.7587       96.35991 883.3451       404.4770 646.3055       99.21656 158.8128 42.56473 147.1836 11.58747 11.62917       44.11378 
1 1 1 -13 16 32 f 43.52478 18.64950 -0.1852177     85.00008 -402.8164      396.7206 19.18727       87.02094 71.70042 34.16232 46.54070 19.34293 25.15972       39.25829 
1 1 1 -13 16 33 o 150.5028 11.18270 676.2435       98.00031 889.0202       420.8177 664.0422       100.7710 156.2682 44.03859 149.0256 11.62169 7.242538       45.54625 
1 1 1 -13 16 34 f 210.6990 8.999830 1316.453       110.9547 1235.645       445.1114 1321.807       114.5714 184.4841 42.07474 211.0540 9.278862 -26.56990      43.08574 
1 1 1 -13 16 35 o 55.36164 19.96946 82.67565       82.97939 260.8648       405.5057 74.88802       84.77328 100.5383 41.76749 54.23484 20.08487 46.30343       46.34572 
1 1 1 -13 16 36 o 150.0542 10.83896 676.6105       94.74350 741.1284       401.4298 672.8046       97.49788 134.7173 44.09568 149.5077 11.20082 -14.79034      45.49602 
1 1 1 -13 16 37 o 81.76774 17.79718 214.9473       82.91759 -94.56190      366.5862 231.6360       85.12370 75.58504 34.98368 85.00291 17.65308 -9.417870      39.18532 
1 1 1 -13 16 38 o 115.7384 13.29560 412.1726       88.61050 292.8594       369.7312 419.4434       91.27045 95.23721 39.74903 116.6437 13.59656 -21.40652      42.01014 
1 1 1 -13 16 39 o 71.62845 19.95526 169.7370       86.93307 -110.1342      343.9107 188.8405       89.85104 71.05198 33.22008 75.44113 19.99021 -4.389153      38.77090 
1 1 1 -13 16 40 o 94.75787 17.22746 290.5612       92.21304 481.5098       346.7419 276.0286       95.65776 104.7913 40.21525 91.71569 18.42409 13.07556       44.23475 
1 1 1 -13 16 41 o 139.9793 12.47222 603.8218       101.3189 879.6619       387.0753 583.5323       104.9791 134.8895 43.23262 137.1911 13.21061 -2.301651      45.20597 
1 1 1 -13 16 42 o 140.5376 12.82098 612.5636       104.5106 232.1818       394.2294 641.3170       108.3887 85.79379 38.33692 143.7118 13.00047 -57.91799      40.48125 
1 1 1 -13 16 43 o 165.2465 11.59153 839.8775       111.6246 736.1613       376.7344 849.8592       116.8726 117.7363 42.53909 165.8894 12.09591 -48.15310      44.22539 
1 1 1 -13 16 44 o 51.84426 21.30317 56.19310       103.9338 -17.40785      144.8585 134.2796       149.2073 50.68336 22.89302 65.83721 26.05710 -15.15385      34.68520 
1 1 1 -13 16 45 o 73.37331 23.40321 195.6006       113.5333 232.8931       159.0007 156.8081       162.1669 77.84332 27.69377 68.56190 27.15575 9.281410       38.78633 
1 1 1 -13 16 46 o 42.62669 20.04365 -85.21143      128.2694 -301.0174      184.5479 116.4751       178.4085 41.88364 20.68263 65.05690 27.41128 -23.17326      34.33875 
1 1 1 -13 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 17 2  o 559.1974 14.01111 9212.566       459.1408 8697.949       615.6818 9857.347       689.1597 542.1808 19.39375 576.9583 20.39900 -34.77747      28.14670 
1 1 1 -13 17 3  o 342.6946 10.40382 3454.755       208.8561 3333.292       276.0192 3617.451       319.4524 336.1699 14.03091 349.9946 15.60226 -13.82471      20.98325 
1 1 1 -13 17 4  o 189.8883 9.883481 1062.406       109.6885 980.1051       134.1971 1228.070       190.3937 182.0755 12.64586 203.4579 16.08695 -21.38246      20.46235 
1 1 1 -13 17 5  o 388.9087 10.00159 4447.889       227.9326 4556.705       347.4156 4365.652       302.0211 392.9297 15.10406 384.8574 13.40140 8.072266       20.19233 
1 1 1 -13 17 6  o 94.25837 13.53342 266.8869       72.67044 241.6792       89.17123 316.7357       125.3964 88.92536 17.72055 101.4935 21.72263 -12.56812      28.03374 
1 1 1 -13 17 7  o 71.66514 17.24962 157.7095       71.62164 186.2710       89.64570 107.3048       119.0897 77.85013 19.63914 65.97417 23.90602 11.87595       30.93855 
1 1 1 -13 17 8  o 342.4256 9.403263 3448.444       188.6618 3653.416       290.7902 3299.449       247.9237 351.8288 14.12151 334.5402 12.65912 17.28860       18.96498 
1 1 1 -13 17 9  o 333.6084 9.214023 3273.262       180.1029 3582.422       283.7654 3064.713       233.0623 348.3752 13.91671 322.4123 12.34848 25.96298       18.60537 
1 1 1 -13 17 10 o 208.7364 7.427111 1281.221       90.77703 0.000000       0.000000 1281.221       90.77703 ?        ?        208.7364 7.427111 0.000000       7.427111 
1 1 1 -13 17 11 o 183.8182 7.954861 994.5138       85.55440 0.000000       0.000000 994.5138       85.55440 ?        ?        183.8182 7.954861 0.000000       7.954861 
1 1 1 -13 17 12 o 372.5520 8.018518 4078.206       175.1990 0.000000       0.000000 4078.206       175.1990 ?        ?        372.5520 8.018518 0.000000       8.018518 
1 1 1 -13 17 13 o 249.1545 22.76537 1866.564       328.9834 0.000000       0.000000 1866.564       328.9834 ?        ?        249.1545 22.76537 0.000000       22.76537 
1 1 1 -13 17 14 o 275.0630 7.740782 2225.150       124.7485 0.000000       0.000000 2225.150       124.7485 ?        ?        275.0630 7.740782 0.000000       7.740782 
1 1 1 -13 17 15 o 284.4588 7.814559 2380.099       130.2455 0.000000       0.000000 2380.099       130.2455 ?        ?        284.4588 7.814559 0.000000       7.814559 
1 1 1 -13 17 16 o 291.3156 7.264438 2493.885       124.1127 2675.829       445.0213 2478.540       129.2406 297.0694 25.79857 290.2902 7.597831 6.779205       26.89412 
1 1 1 -13 17 17 o 331.4999 8.257217 3231.920       160.5342 2728.953       416.3842 3319.737       173.9851 300.5406 23.81793 335.7862 8.842535 -35.24561      25.40638 
1 1 1 -13 17 18 o 358.2225 9.023096 3779.475       189.4145 0.000000       0.000000 3779.475       189.4145 ?        ?        358.2225 9.023096 0.000000       9.023096 
1 1 1 -13 17 19 o 119.7543 10.87132 426.3745       75.52145 278.4740       348.3854 433.6672       77.36098 106.2357 40.42289 120.7559 11.04574 -14.52016      41.90487 
1 1 1 -13 17 20 o 80.73941 15.70423 199.9691       71.68440 -340.6314      359.6458 222.3347       73.15224 71.23630 33.51688 85.34608 15.17072 -14.10978      36.79038 
1 1 1 -13 17 21 o 31.24681 14.81958 -88.06641      72.96229 -253.1961      365.3927 -81.20879      74.46189 75.49723 34.93731 32.27953 15.20716 43.21770       38.10345 
1 1 1 -13 17 22 o 290.1264 7.596232 2477.399       129.1404 2078.436       464.9180 2510.755       134.4306 258.0992 31.35674 292.0371 7.856051 -33.93787      32.32588 
1 1 1 -13 17 23 o 239.5018 8.151873 1689.782       114.3361 1440.021       429.3391 1708.847       118.6197 212.3369 35.74494 240.8151 8.411817 -28.47823      36.72137 
1 1 1 -13 17 24 o 145.8347 13.91613 635.4267       117.5812 323.4200       478.8221 655.4485       121.2952 118.3805 46.73318 148.0912 14.13710 -29.71067      48.82466 
1 1 1 -13 17 25 o 186.0405 11.36876 1025.610       123.4504 243.6467       458.8160 1086.639       128.1773 111.6737 45.18115 191.4986 11.46537 -79.82491      46.61321 
1 1 1 -13 17 26 o 339.3302 10.21157 3399.225       202.9883 0.000000       0.000000 3399.225       202.9883 ?        ?        339.3302 10.21157 0.000000       10.21157 
1 1 1 -13 17 27 f 169.3012 12.58478 853.1965       124.0621 0.000000       0.000000 853.1965       124.0621 ?        ?        169.3012 12.58478 0.000000       12.58478 
1 1 1 -13 17 28 o 130.1191 12.80551 506.5979       96.45632 -230.0769      370.0549 560.2963       99.90999 76.32095 35.26236 136.9479 12.57993 -60.62699      37.43914 
1 1 1 -13 17 29 f 137.0106 12.25027 560.9853       97.39768 536.8141       382.8408 562.6580       100.7114 127.5731 43.10009 137.1282 12.66585 -9.555115      44.92262 
1 1 1 -13 17 30 o 171.7276 10.14738 875.0782       101.7429 793.9626       402.2154 880.6234       105.1631 150.6422 43.25528 172.2092 10.46189 -21.56705      44.50247 
1 1 1 -13 17 31 o 73.97074 19.91632 171.7715       88.30817 353.1107       409.6835 162.9355       90.43406 112.0572 43.52291 72.20110 20.43860 39.85606       48.08306 
1 1 1 -13 17 32 o 188.8973 9.560212 1058.262       105.5673 1155.953       458.3786 1052.790       108.4836 179.4100 43.92316 188.3407 9.855600 -8.930710      45.01530 
1 1 1 -13 17 33 o 145.3731 11.54120 632.6085       97.59078 880.3231       457.1678 620.7815       99.89332 152.6257 46.70990 143.8954 11.94451 8.730240       48.21292 
1 1 1 -13 17 34 o 80.56389 18.53835 206.1633       85.77067 442.7233       446.2281 197.0881       87.40039 115.2694 45.23333 78.63486 19.13575 36.63456       49.11447 
1 1 1 -13 17 35 o 51.98395 19.47798 66.90982       80.18168 94.26984       374.4792 65.59522       82.08537 87.50397 38.30599 52.06174 19.66455 35.44224       43.05861 
1 1 1 -13 17 36 o 48.79661 18.99121 51.71864       78.12818 293.5791       365.8725 40.16311       79.97280 97.42473 39.99427 47.28981 18.95728 50.13492       44.25969 
1 1 1 -13 17 37 o 193.7477 8.949305 1120.935       101.4149 1290.104       394.1636 1108.942       104.9481 183.2001 37.93568 192.5599 9.320729 -9.359741      39.06394 
1 1 1 -13 17 38 o 143.9194 11.23989 627.7774       94.11869 502.3483       403.5024 634.9944       96.78853 109.2549 42.97104 144.6379 11.50489 -35.38300      44.48452 
1 1 1 -13 17 39 o 262.7847 8.356896 2061.868       128.6302 1784.661       439.0937 2087.890       134.5323 213.8709 36.30370 264.2460 8.692787 -50.37511      37.32992 
1 1 1 -13 17 40 o 83.19072 19.09894 230.4944       91.21014 110.1250       390.1285 237.4543       93.81001 81.90342 37.22304 84.33299 19.37496 -2.429573      41.96360 
1 1 1 -13 17 41 o 165.2062 10.73642 830.5903       103.4612 815.5052       412.0233 831.6055       106.8858 124.9977 44.56855 165.1001 11.10338 -40.10238      45.93082 
1 1 1 -13 17 42 o 78.31477 20.53679 211.2852       95.46866 -6.477679      423.6964 222.9325       97.98853 76.28002 36.03905 80.39417 20.66899 -4.114143      41.54541 
1 1 1 -13 17 43 o 42.42358 18.99926 -17.40305      97.40476 -731.6137      363.2819 37.91924       101.1069 52.36808 26.33621 49.22147 20.68109 3.146610       33.48587 
1 1 1 -13 17 44 o 59.15853 22.14069 108.9153       103.5405 18.43783       141.5538 213.0256       151.8441 53.06031 23.37857 75.68423 27.04835 -22.62392      35.75151 
1 1 1 -13 17 45 o 44.18415 20.21651 -37.71754      117.5920 -14.74372      163.1917 -62.52917      169.5935 52.96838 24.07346 50.67739 23.57178 2.290989       33.69214 
1 1 1 -13 17 46 o 59.62423 23.89766 103.0384       127.0639 143.7813       172.0139 54.10774       188.5074 67.10286 27.47087 60.54564 26.81375 6.557224       38.38784 
1 1 1 -13 18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 18 3  o 299.4400 9.813297 2638.191       172.1030 2665.447       231.2773 2604.370       257.6304 300.5835 13.15134 296.8672 14.84446 3.716217       19.83219 
1 1 1 -13 18 4  o 92.19835 13.71784 255.8131       71.91925 275.1356       85.28931 208.2638       133.7935 95.32925 15.80874 83.32135 25.22282 12.00790       29.76755 
1 1 1 -13 18 5  o 367.2540 9.667119 3967.100       208.0350 4245.494       324.1678 3772.161       271.2627 379.2055 14.60351 357.6750 12.95295 21.53049       19.52028 
1 1 1 -13 18 6  o 114.5244 11.30598 389.6019       74.94808 422.1329       91.79997 324.5727       129.7921 118.9644 13.38981 102.6230 22.21078 16.34134       25.93465 
1 1 1 -13 18 7  o 257.2755 7.426124 1945.475       111.9326 0.000000       0.000000 1945.475       111.9326 ?        ?        257.2755 7.426124 0.000000       7.426124 
1 1 1 -13 18 8  o 211.4840 7.386302 1315.142       91.47194 0.000000       0.000000 1315.142       91.47194 ?        ?        211.4840 7.386302 0.000000       7.386302 
1 1 1 -13 18 9  o 391.9222 8.270513 4513.394       190.1003 0.000000       0.000000 4513.394       190.1003 ?        ?        391.9222 8.270513 0.000000       8.270513 
1 1 1 -13 18 10 o 127.9081 9.789279 483.9842       72.87637 0.000000       0.000000 483.9842       72.87637 ?        ?        127.9081 9.789279 0.000000       9.789279 
1 1 1 -13 18 11 o 250.1158 7.457424 1839.453       109.2685 0.000000       0.000000 1839.453       109.2685 ?        ?        250.1158 7.457424 0.000000       7.457424 
1 1 1 -13 18 12 o 243.3832 9.145311 1744.565       130.3066 0.000000       0.000000 1744.565       130.3066 ?        ?        243.3832 9.145311 0.000000       9.145311 
1 1 1 -13 18 13 o 147.9691 36.03462 698.2971       309.7558 0.000000       0.000000 698.2971       309.7558 ?        ?        147.9691 36.03462 0.000000       36.03462 
1 1 1 -13 18 14 o 242.0183 9.879228 1726.996       139.9290 0.000000       0.000000 1726.996       139.9290 ?        ?        242.0183 9.879228 0.000000       9.879228 
1 1 1 -13 18 15 o 140.2535 9.821164 581.9382       80.27376 0.000000       0.000000 581.9382       80.27376 ?        ?        140.2535 9.821164 0.000000       9.821164 
1 1 1 -13 18 16 o 169.2725 8.586009 845.0923       84.95865 0.000000       0.000000 845.0923       84.95865 ?        ?        169.2725 8.586009 0.000000       8.586009 
1 1 1 -13 18 17 o 188.9517 8.727017 1052.901       96.44785 0.000000       0.000000 1052.901       96.44785 ?        ?        188.9517 8.727017 0.000000       8.727017 
1 1 1 -13 18 18 o 245.5830 8.024733 1776.016       115.4240 2996.773       424.5377 1678.576       119.9421 314.7794 23.15849 238.6706 8.582816 76.10878       24.69779 
1 1 1 -13 18 19 o 170.3058 8.940115 856.2858       88.98145 824.3517       374.9413 858.1917       91.59830 158.3242 40.28699 170.4624 9.196429 -12.13823      41.32331 
1 1 1 -13 18 20 o 187.2010 8.363219 1033.388       91.58709 765.8099       411.7613 1047.315       93.94037 151.9185 43.81017 188.4407 8.522215 -36.52220      44.63137 
1 1 1 -13 18 21 o 183.2995 8.745237 991.3903       93.74084 228.3340       444.4668 1026.912       95.89794 109.7025 44.43810 186.5558 8.789675 -76.85336      45.29904 
1 1 1 -13 18 22 o 356.8166 7.901302 3745.542       165.3462 3171.503       543.9652 3803.979       173.5584 320.6826 29.24458 359.5399 8.230913 -38.85736      30.38081 
1 1 1 -13 18 23 o 76.26023 19.88983 180.3906       89.86780 -240.5210      476.7605 195.8969       91.50819 88.83132 40.66819 79.40285 19.73597 9.428467       45.20409 
1 1 1 -13 18 24 o 222.5650 8.806767 1460.760       114.7270 1653.636       533.3259 1451.401       117.4774 224.4522 42.06029 221.8151 9.049519 2.637131       43.02280 
1 1 1 -13 18 25 o 398.8308 9.438948 4687.446       220.7816 4499.625       574.7845 4719.955       239.1257 384.0124 25.66909 399.9182 10.20374 -15.90585      27.62279 
1 1 1 -13 18 26 o 223.2043 15.84732 1490.130       206.0987 1833.006       455.3849 1401.807       231.1240 240.3639 33.18899 215.7014 18.44704 24.66246       37.97107 
1 1 1 -13 18 27 o 131.8377 13.07039 520.2416       99.73084 422.8773       414.4349 526.2264       102.7503 120.1670 44.42556 132.5323 13.40340 -12.36531      46.40347 
1 1 1 -13 18 28 o 467.5131 8.735259 6445.309       239.5080 6378.097       643.3898 6456.121       258.0548 456.1282 24.13712 467.6960 9.408010 -11.56772      25.90581 
1 1 1 -13 18 29 o 282.4087 8.163626 2353.230       135.0690 2091.101       439.4416 2380.578       141.9401 256.6929 29.73981 283.9655 8.532608 -27.27267      30.93964 
1 1 1 -13 18 30 o 86.05107 18.67040 231.8287       91.51001 432.5103       387.7238 219.9903       94.17046 117.4313 43.04602 83.63190 19.55170 33.79943       47.27820 
1 1 1 -13 18 31 f 82.43202 19.73017 214.4001       94.11275 181.8938       419.3654 216.1240       96.57610 100.7601 42.21333 82.70744 20.10799 18.05271       46.75785 
1 1 1 -13 18 32 o 270.9195 8.266665 2169.848       131.1936 3359.316       511.0076 2085.914       135.7435 325.2407 27.03414 265.4991 8.729642 59.74167       28.40865 
1 1 1 -13 18 33 o 231.7689 8.626906 1591.558       117.0583 1477.393       439.3362 1600.282       121.4486 205.4712 37.85254 232.3187 8.930323 -26.84753      38.89171 
1 1 1 -13 18 34 o 190.2614 9.258625 1077.329       103.0011 1646.506       441.3973 1044.551       105.9255 215.7407 36.16431 187.2097 9.680530 28.53104       37.43755 
1 1 1 -13 18 35 o 110.6698 13.47450 375.3013       85.65608 398.0212       414.7786 374.2892       87.54312 106.8424 43.05372 110.3966 13.82342 -3.554184      45.21847 
1 1 1 -13 18 36 o 157.1331 10.10857 741.2782       92.66113 373.9819       370.1873 765.8292       95.70789 102.2218 40.85130 159.6626 10.27557 -57.44075      42.12382 
1 1 1 -13 18 37 o 194.6338 9.070945 1132.701       103.2583 825.8593       391.0536 1155.698       107.0579 137.6653 43.37649 196.5003 9.316304 -58.83502      44.36568 
1 1 1 -13 18 38 o 115.3132 13.95032 412.7576       92.42828 192.0504       392.0696 425.7453       95.10892 88.49820 38.95351 117.0483 14.14128 -28.55009      41.44094 
1 1 1 -13 18 39 o 60.53991 21.18592 114.0247       92.75721 -356.9323      382.7122 143.4163       95.60782 64.81252 31.53512 66.02213 21.51401 -1.209610      38.17481 
1 1 1 -13 18 40 o 44.94884 19.09466 18.35364       87.75443 109.8970       388.8175 13.44028       90.07864 81.25575 37.01877 44.80984 19.19930 36.44591       41.70135 
1 1 1 -13 18 41 o 43.67365 19.07195 1.512657       92.33303 -179.5648      384.9549 12.56594       95.10938 68.70940 32.98246 45.49752 19.61400 23.21188       38.37384 
1 1 1 -13 18 42 o 135.9362 13.01268 576.4866       102.4765 623.0630       378.6126 572.8047       106.4498 108.4558 41.91751 135.1185 13.61882 -26.66266      44.07437 
1 1 1 -13 18 43 o 134.3811 14.17028 571.8420       109.9985 7.649012       383.0028 622.5626       114.8365 73.07652 34.44605 140.2740 14.15223 -67.19753      37.23998 
1 1 1 -13 18 44 o 56.50191 22.26866 89.08978       108.5604 237.3934       375.9540 75.59901       113.3907 81.38573 36.80929 55.23337 22.41914 26.15236       43.09921 
1 1 1 -13 18 45 o 59.50617 22.97845 109.1710       113.7012 202.8561       154.9079 -0.2526700     167.4149 73.54179 27.16567 54.44891 24.60079 19.09288       36.64932 
1 1 1 -13 19 1  o 282.7397 9.486416 2352.584       157.0812 2227.145       203.3365 2538.243       247.3748 274.7024 12.65525 293.0264 14.43902 -18.32394      19.20002 
1 1 1 -13 19 2  o 190.9151 9.001015 1073.555       100.4981 938.7137       123.6162 1336.410       172.5926 178.1804 11.89763 212.4666 13.92778 -34.28619      18.31766 
1 1 1 -13 19 3  f 191.9020 14.95471 1093.069       166.9813 0.000000       0.000000 1093.069       166.9813 ?        ?        191.9020 14.95471 0.000000       14.95471 
1 1 1 -13 19 4  o 320.8704 8.321623 3027.070       156.4666 0.000000       0.000000 3027.070       156.4666 ?        ?        320.8704 8.321623 0.000000       8.321623 
1 1 1 -13 19 5  o 302.6863 7.641838 2692.889       135.5482 0.000000       0.000000 2692.889       135.5482 ?        ?        302.6863 7.641838 0.000000       7.641838 
1 1 1 -13 19 6  o 198.9363 7.738343 1164.341       90.11215 0.000000       0.000000 1164.341       90.11215 ?        ?        198.9363 7.738343 0.000000       7.738343 
1 1 1 -13 19 7  o 230.4984 7.595914 1562.439       102.5427 0.000000       0.000000 1562.439       102.5427 ?        ?        230.4984 7.595914 0.000000       7.595914 
1 1 1 -13 19 8  o 44.50470 17.24832 37.25866       64.23779 0.000000       0.000000 37.25866       64.23779 ?        ?        44.50470 17.24832 0.000000       17.24832 
1 1 1 -13 19 9  o 107.9279 18.16136 354.5034       110.8787 0.000000       0.000000 354.5034       110.8787 ?        ?        107.9279 18.16136 0.000000       18.16136 
1 1 1 -13 19 10 o 155.3316 8.715396 711.6396       79.07735 0.000000       0.000000 711.6396       79.07735 ?        ?        155.3316 8.715396 0.000000       8.715396 
1 1 1 -13 19 11 o 255.7550 7.615313 1923.908       114.0981 0.000000       0.000000 1923.908       114.0981 ?        ?        255.7550 7.615313 0.000000       7.615313 
1 1 1 -13 19 12 o 130.8686 39.31539 541.2405       325.9594 0.000000       0.000000 541.2405       325.9594 ?        ?        130.8686 39.31539 0.000000       39.31539 
1 1 1 -13 19 13 o 518.4705 9.762334 7913.229       296.8440 0.000000       0.000000 7913.229       296.8440 ?        ?        518.4705 9.762334 0.000000       9.762334 
1 1 1 -13 19 14 o 163.4814 30.95688 839.5484       285.9439 0.000000       0.000000 839.5484       285.9439 ?        ?        163.4814 30.95688 0.000000       30.95688 
1 1 1 -13 19 15 o 173.9628 8.910971 892.9365       90.61134 0.000000       0.000000 892.9365       90.61134 ?        ?        173.9628 8.910971 0.000000       8.910971 
1 1 1 -13 19 16 o 245.3698 7.949142 1772.657       114.2400 0.000000       0.000000 1772.657       114.2400 ?        ?        245.3698 7.949142 0.000000       7.949142 
1 1 1 -13 19 17 o 178.6051 9.561944 942.3053       99.79404 0.000000       0.000000 942.3053       99.79404 ?        ?        178.6051 9.561944 0.000000       9.561944 
1 1 1 -13 19 18 o 146.8058 9.948778 638.0568       85.15111 433.7062       424.9297 646.6058       86.91403 123.1999 45.07963 147.7705 10.08939 -24.57060      46.19490 
1 1 1 -13 19 19 o 54.23893 19.06556 77.88300       75.17451 -35.37921      388.6454 82.28531       76.62154 88.80713 38.94608 55.31597 19.26208 33.49116       43.44910 
1 1 1 -13 19 20 o 211.6518 8.597758 1320.799       106.5008 1124.940       430.2583 1333.583       109.9214 184.9736 40.76245 212.6432 8.833384 -27.66956      41.70858 
1 1 1 -13 19 21 o 308.5269 8.021021 2802.465       145.0123 2148.992       511.8871 2859.484       151.2065 261.0969 34.25424 311.6111 8.281179 -50.51419      35.24104 
1 1 1 -13 19 22 o 225.6576 9.141827 1502.072       120.7351 967.7388       521.2894 1532.360       124.1098 168.7238 49.47958 227.9009 9.305156 -59.17715      50.34695 
1 1 1 -13 19 23 o 143.6917 12.58267 615.0512       104.9675 0.000000       0.000000 615.0512       104.9675 ?        ?        143.6917 12.58267 0.000000       12.58267 
1 1 1 -13 19 24 o 425.2932 8.496974 5325.042       211.9353 5491.984       659.4487 5305.813       223.8084 423.7973 26.66734 424.4239 8.991375 -0.6265564     28.14235 
1 1 1 -13 19 25 o 266.8975 9.943346 2104.047       155.3701 0.000000       0.000000 2104.047       155.3701 ?        ?        266.8975 9.943346 0.000000       9.943346 
1 1 1 -13 19 26 o 119.0065 18.88578 434.5296       127.4148 0.000000       0.000000 434.5296       127.4148 ?        ?        119.0065 18.88578 0.000000       18.88578 
1 1 1 -13 19 27 o 119.2174 14.36379 428.7787       98.40781 -359.4641      445.0525 469.2985       100.9054 79.57003 37.38997 124.8752 14.01991 -45.30515      39.93204 
1 1 1 -13 19 28 o 324.7163 8.181249 3110.303       155.6783 2496.814       511.5329 3172.925       163.4308 279.4501 31.77544 327.8927 8.505863 -48.44266      32.89420 
1 1 1 -13 19 29 f 49.11016 20.19213 27.27955       93.44990 -275.2583      457.6585 40.44241       95.46117 83.07334 38.66787 51.34117 20.66655 31.73217       43.84416 
1 1 1 -13 19 30 o 54.83135 20.98115 65.99271       94.19606 219.8317       464.0192 59.38066       96.19905 106.3105 44.46188 54.16597 21.07551 52.14454       49.20402 
1 1 1 -13 19 31 o 265.3927 8.410570 2082.382       130.7424 2394.985       460.3921 2054.961       136.3561 272.9563 29.21349 263.5265 8.835160 9.429840       30.52029 
1 1 1 -13 19 32 o 289.1758 8.323517 2473.895       141.0156 1588.741       470.5015 2561.254       147.8106 212.7189 39.15656 294.1616 8.576952 -81.44267      40.08492 
1 1 1 -13 19 33 o 57.26893 20.62797 89.13788       88.50447 -45.85613      413.4279 95.62151       90.60494 84.81628 38.45650 58.66980 20.90193 26.14648       43.76978 
1 1 1 -13 19 34 o 113.6317 13.72354 395.3916       89.60662 563.9492       400.1152 386.4913       91.94193 120.0205 43.77056 112.1259 14.30706 7.894600       46.04947 
1 1 1 -13 19 35 o 203.3718 8.832829 1232.795       105.1004 1041.318       406.7704 1246.493       108.7946 159.9666 42.60070 204.3999 9.098419 -44.43333      43.56146 
1 1 1 -13 19 36 o 45.77545 18.92316 27.66649       82.66589 77.29451       399.0779 25.44159       84.49859 84.95496 38.21859 45.84738 19.05814 39.10758       42.70683 
1 1 1 -13 19 37 o 106.4994 15.44205 356.3553       93.63984 287.2628       467.8476 359.2387       95.57375 96.96699 42.62098 106.8082 15.72786 -9.841209      45.43032 
1 1 1 -13 19 38 o 146.8731 12.00464 659.3217       102.5038 523.8181       406.4850 668.5235       105.9271 107.7175 42.88690 147.7336 12.33837 -40.01604      44.62646 
1 1 1 -13 19 39 o 187.2333 10.12516 1059.783       110.7686 774.1758       398.9329 1083.642       115.3025 125.0059 43.92184 189.1602 10.43383 -64.15432      45.14413 
1 1 1 -13 19 40 o 82.27621 19.75443 228.9100       94.11437 21.94264       388.8902 241.7858       96.99769 76.73429 35.69268 84.52937 19.89848 -7.795082      40.86461 
1 1 1 -13 19 41 f 32.66719 15.84563 -137.7446      94.66012 -329.6342      383.5107 -125.2957      97.68241 63.62946 31.09271 34.14429 16.44757 29.48516       35.17497 
1 1 1 -13 19 42 o 39.04078 18.14854 -62.36119      100.3033 170.9845       401.7880 -77.87015      103.5829 80.74576 37.10249 38.57008 18.09690 42.17567       41.28065 
1 1 1 -13 19 43 o 42.03547 19.13408 -33.70538      103.5926 2.470786       388.6408 -36.47227      107.4812 72.76176 34.41846 42.57587 19.42241 30.18588       39.52038 
1 1 1 -13 19 44 o 47.25548 20.64341 13.80127       108.2587 -137.2045      310.3722 34.71794       115.5134 61.82827 29.66258 50.60346 21.71273 11.22481       36.76019 
1 1 1 -13 19 45 o 121.8438 17.04554 491.4611       118.4767 397.4529       153.4247 630.3278       186.4710 102.0820 25.65930 129.9418 25.37948 -27.85980      36.09041 
1 1 1 -13 20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 20 2  o 705.9740 24.33521 14906.25       1006.061 0.000000       0.000000 14906.25       1006.061 ?        ?        705.9740 24.33521 0.000000       24.33521 
1 1 1 -13 20 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 20 4  o 323.5909 8.085634 3077.083       153.4479 0.000000       0.000000 3077.083       153.4479 ?        ?        323.5909 8.085634 0.000000       8.085634 
1 1 1 -13 20 5  o 205.5396 8.110445 1243.469       97.57471 0.000000       0.000000 1243.469       97.57471 ?        ?        205.5396 8.110445 0.000000       8.110445 
1 1 1 -13 20 6  o 179.4083 8.237275 948.0331       86.44030 0.000000       0.000000 948.0331       86.44030 ?        ?        179.4083 8.237275 0.000000       8.237275 
1 1 1 -13 20 7  o 305.6053 7.731767 2746.213       138.4654 0.000000       0.000000 2746.213       138.4654 ?        ?        305.6053 7.731767 0.000000       7.731767 
1 1 1 -13 20 8  o 372.2989 8.052036 4074.102       175.8118 0.000000       0.000000 4074.102       175.8118 ?        ?        372.2989 8.052036 0.000000       8.052036 
1 1 1 -13 20 9  o 171.3181 8.080474 864.6748       80.95898 0.000000       0.000000 864.6748       80.95898 ?        ?        171.3181 8.080474 0.000000       8.080474 
1 1 1 -13 20 10 o 74.99572 15.78764 172.6909       67.23927 0.000000       0.000000 172.6909       67.23927 ?        ?        74.99572 15.78764 0.000000       15.78764 
1 1 1 -13 20 11 f 78.68105 19.48927 191.5353       89.46155 0.000000       0.000000 191.5353       89.46155 ?        ?        78.68105 19.48927 0.000000       19.48927 
1 1 1 -13 20 12 f 173.8431 35.14453 961.6887       345.9810 0.000000       0.000000 961.6887       345.9810 ?        ?        173.8431 35.14453 0.000000       35.14453 
1 1 1 -13 20 13 o 247.2677 25.08749 1860.473       358.7803 0.000000       0.000000 1860.473       358.7803 ?        ?        247.2677 25.08749 0.000000       25.08749 
1 1 1 -13 20 14 o 345.0695 8.760525 3506.532       177.1479 0.000000       0.000000 3506.532       177.1479 ?        ?        345.0695 8.760525 0.000000       8.760525 
1 1 1 -13 20 15 o 156.8446 10.00848 727.7985       91.58336 0.000000       0.000000 727.7985       91.58336 ?        ?        156.8446 10.00848 0.000000       10.00848 
1 1 1 -13 20 16 o 370.2606 9.074589 4036.687       197.0538 0.000000       0.000000 4036.687       197.0538 ?        ?        370.2606 9.074589 0.000000       9.074589 
1 1 1 -13 20 17 o 157.2833 12.80134 736.2317       117.0632 0.000000       0.000000 736.2317       117.0632 ?        ?        157.2833 12.80134 0.000000       12.80134 
1 1 1 -13 20 18 o 264.6483 8.142092 2062.811       126.2231 0.000000       0.000000 2062.811       126.2231 ?        ?        264.6483 8.142092 0.000000       8.142092 
1 1 1 -13 20 19 o 315.0372 8.139148 2922.271       150.2545 0.000000       0.000000 2922.271       150.2545 ?        ?        315.0372 8.139148 0.000000       8.139148 
1 1 1 -13 20 20 o 162.7995 10.77221 785.1923       102.2725 479.3661       495.3682 798.8084       104.5244 129.9852 48.47248 164.1885 10.91687 -34.20338      49.68662 
1 1 1 -13 20 21 o 284.1746 8.245565 2378.325       137.2767 1996.891       550.7318 2403.594       141.7509 249.1151 38.97189 285.6474 8.470813 -36.53232      39.88186 
1 1 1 -13 20 22 o 172.7595 11.49668 885.1083       115.8208 1924.054       551.8320 837.2323       118.4594 243.6787 40.00013 167.8963 12.11174 75.78242       41.79360 
1 1 1 -13 20 23 o 195.4384 9.441619 1128.153       107.8997 1131.291       509.9430 1128.006       110.3994 182.1252 47.31912 195.3923 9.664028 -13.26715      48.29589 
1 1 1 -13 20 24 o 141.6894 11.84420 597.6491       97.52265 406.3337       503.9128 605.0934       99.40192 124.2495 48.26630 142.5468 12.00150 -18.29729      49.73602 
1 1 1 -13 20 25 o 363.8801 8.166389 3899.432       174.2766 3671.315       591.1012 3921.149       182.3838 343.1723 29.66053 364.8220 8.524220 -21.64972      30.86113 
1 1 1 -13 20 26 o 171.0449 12.96420 872.9717       129.0804 233.4319       510.6913 916.6174       133.4122 112.5668 46.82761 175.2664 13.07333 -62.69967      48.61827 
1 1 1 -13 20 27 o 60.49431 21.40682 98.64811       94.89184 -504.4325      488.7656 122.2702       96.73240 79.05859 37.73771 64.89233 21.66244 14.16625       43.51317 
1 1 1 -13 20 28 o 253.3966 8.487512 1896.480       125.9559 2056.287       491.6495 1885.255       130.3046 250.9615 34.30065 252.5746 8.810186 -1.613129      35.41404 
1 1 1 -13 20 29 o 172.6775 10.58308 886.4533       106.6614 392.2159       467.9205 913.5414       109.5454 117.3889 46.24244 175.2774 10.70767 -57.88850      47.46595 
1 1 1 -13 20 30 o 112.7826 15.98026 389.4213       102.7438 1142.592       501.1697 356.3781       104.9734 175.1554 47.56889 107.4348 17.24354 67.72061       50.59782 
1 1 1 -13 20 31 o 66.82722 21.40451 136.2121       94.89312 184.7990       484.7826 134.2763       96.76503 103.5093 44.44814 66.59306 21.63982 36.91623       49.43601 
1 1 1 -13 20 32 o 50.77887 19.89615 51.91488       86.22237 -539.0755      411.8419 79.00584       88.17644 67.47193 32.80270 55.54131 20.49928 11.93063       38.68122 
1 1 1 -13 20 33 o 156.4008 10.72997 733.4488       97.82480 573.7583       431.5621 742.0984       100.4392 121.4413 45.25165 157.2502 10.95944 -35.80889      46.55987 
1 1 1 -13 20 34 o 33.72037 15.96122 -90.08592      83.83921 -130.1887      407.0688 -88.30946      85.67604 78.14173 36.40450 34.35802 16.22463 43.78371       39.85632 
1 1 1 -13 20 35 o 86.25903 18.12244 239.9655       88.75993 170.7981       417.1500 243.2455       90.84010 91.06818 40.12875 86.74305 18.42572 4.325127       44.15681 
1 1 1 -13 20 36 o 50.42419 19.87285 54.82140       86.45601 -683.6780      384.8787 94.06595       88.72346 58.35239 28.99874 57.22734 20.64819 1.125050       35.59880 
1 1 1 -13 20 37 o 94.30045 17.52975 287.1302       93.38069 -156.6676      416.0139 310.6773       95.82597 74.70863 35.41909 98.31377 17.24822 -23.60514      39.39560 
1 1 1 -13 20 38 o 50.34866 20.42960 49.11990       94.12192 -368.4820      423.4911 70.81971       96.53638 67.64225 32.97017 53.83345 21.06446 13.80880       39.12472 
1 1 1 -13 20 39 o 75.94023 20.17315 195.5287       91.35768 -210.6614      434.9577 214.2752       93.44208 72.04998 34.70701 79.55883 20.03985 -7.508850      40.07708 
1 1 1 -13 20 40 o 39.03908 18.03919 -55.85426      96.88535 2.045699       481.2431 -58.30013      98.91055 79.67908 37.86774 39.29448 18.18168 40.38461       42.00642 
1 1 1 -13 20 41 o 45.87552 20.10546 3.949203       103.4237 17.10147       436.0781 3.165313       106.4612 76.87632 36.39262 46.35633 20.35488 30.51999       41.69825 
1 1 1 -13 20 42 o 127.5296 15.73437 524.2928       115.1895 658.5416       424.0342 513.5967       119.6904 105.8970 43.21555 125.5400 16.66795 -19.64291      46.31851 
1 1 1 -13 20 43 o 36.45703 17.47616 -118.0307      107.2421 -146.6405      358.8297 -115.2246      112.3783 65.30086 31.47298 37.72260 18.03076 27.57826       36.27199 
1 1 1 -13 20 44 o 137.5617 15.90736 615.2989       125.9733 -85.98177      316.0453 747.7606       137.3563 63.96383 30.48047 152.0127 15.62944 -88.04884      34.25402 
1 1 1 -13 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 21 2  f 200.2381 9.919498 1182.773       116.1269 0.000000       0.000000 1182.773       116.1269 ?        ?        200.2381 9.919498 0.000000       9.919498 
1 1 1 -13 21 3  o 74.56165 16.27659 170.8894       69.17357 0.000000       0.000000 170.8894       69.17357 ?        ?        74.56165 16.27659 0.000000       16.27659 
1 1 1 -13 21 4  o 193.1533 8.190070 1098.674       92.56644 0.000000       0.000000 1098.674       92.56644 ?        ?        193.1533 8.190070 0.000000       8.190070 
1 1 1 -13 21 5  o 367.1791 8.768132 3964.830       188.8146 0.000000       0.000000 3964.830       188.8146 ?        ?        367.1791 8.768132 0.000000       8.768132 
1 1 1 -13 21 6  o 260.2110 7.811354 1991.922       119.0722 0.000000       0.000000 1991.922       119.0722 ?        ?        260.2110 7.811354 0.000000       7.811354 
1 1 1 -13 21 7  o 161.8834 8.920034 773.1794       84.36016 0.000000       0.000000 773.1794       84.36016 ?        ?        161.8834 8.920034 0.000000       8.920034 
1 1 1 -13 21 8  o 276.1373 8.036289 2243.710       130.0077 0.000000       0.000000 2243.710       130.0077 ?        ?        276.1373 8.036289 0.000000       8.036289 
1 1 1 -13 21 9  o 183.7504 8.259066 994.8899       88.77653 0.000000       0.000000 994.8899       88.77653 ?        ?        183.7504 8.259066 0.000000       8.259066 
1 1 1 -13 21 10 o 142.2451 9.538088 598.2977       79.11007 0.000000       0.000000 598.2977       79.11007 ?        ?        142.2451 9.538088 0.000000       9.538088 
1 1 1 -13 21 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 21 12 f 306.8534 8.226412 2771.860       147.9108 0.000000       0.000000 2771.860       147.9108 ?        ?        306.8534 8.226412 0.000000       8.226412 
1 1 1 -13 21 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 21 14 o 222.8723 8.373405 1463.678       109.2536 0.000000       0.000000 1463.678       109.2536 ?        ?        222.8723 8.373405 0.000000       8.373405 
1 1 1 -13 21 15 o 235.1313 7.962169 1628.317       109.6391 0.000000       0.000000 1628.317       109.6391 ?        ?        235.1313 7.962169 0.000000       7.962169 
1 1 1 -13 21 16 o 187.1143 9.635030 1034.287       105.3770 0.000000       0.000000 1034.287       105.3770 ?        ?        187.1143 9.635030 0.000000       9.635030 
1 1 1 -13 21 17 o 391.1085 8.752276 4503.367       200.7561 0.000000       0.000000 4503.367       200.7561 ?        ?        391.1085 8.752276 0.000000       8.752276 
1 1 1 -13 21 18 o 183.1561 10.00505 991.6918       107.0629 0.000000       0.000000 991.6918       107.0629 ?        ?        183.1561 10.00505 0.000000       10.00505 
1 1 1 -13 21 19 o 89.37232 17.86715 246.1779       90.37444 0.000000       0.000000 246.1779       90.37444 ?        ?        89.37232 17.86715 0.000000       17.86715 
1 1 1 -13 21 20 o 103.8656 17.64693 329.8961       103.6536 0.000000       0.000000 329.8961       103.6536 ?        ?        103.8656 17.64693 0.000000       17.64693 
1 1 1 -13 21 21 o 127.0481 13.64556 483.3106       100.0824 467.3302       540.3470 483.8783       101.8446 131.1080 50.23072 127.0760 13.89147 4.031990       52.11620 
1 1 1 -13 21 22 o 178.1098 10.25170 938.7178       106.6339 446.3989       507.2069 961.4846       109.0717 127.6736 48.72743 180.2463 10.36165 -52.57272      49.81693 
1 1 1 -13 21 23 o 332.7489 9.274999 3266.052       180.8244 2978.635       559.0989 3299.628       191.0948 308.4424 31.34231 334.3516 9.755726 -25.90924      32.82552 
1 1 1 -13 21 24 o 324.0301 8.166733 3094.074       155.0736 3203.598       568.6354 3085.274       161.1832 319.7360 30.70122 323.5019 8.502937 -3.765961      31.85694 
1 1 1 -13 21 25 o 146.4294 14.36960 643.8254       121.8149 -287.6115      534.6793 694.8190       125.1050 91.16511 42.21397 152.2143 14.17723 -61.04919      44.53104 
1 1 1 -13 21 26 o 265.7791 8.435642 2085.015       131.3225 1868.029       547.0128 2098.286       135.2787 235.0583 41.17998 266.5766 8.664313 -31.51830      42.08160 
1 1 1 -13 21 27 o 177.2509 10.29358 932.5733       106.5449 733.8865       525.3779 941.0951       108.8058 144.0061 50.41889 178.0251 10.46745 -34.01900      51.49400 
1 1 1 -13 21 28 o 68.12327 21.58936 140.6790       96.74641 162.3298       496.8098 139.8256       98.63470 105.5805 45.15965 68.09217 21.82370 37.48830       50.15644 
1 1 1 -13 21 29 o 100.0649 17.82494 310.9893       100.7712 -149.9836      527.7084 328.4352       102.6603 93.22959 42.72078 102.9537 17.63651 -9.724068      46.21808 
1 1 1 -13 21 30 o 248.0791 9.106196 1823.589       132.2635 1262.319       540.4330 1859.349       136.4119 180.6900 49.53108 250.4462 9.303422 -69.75615      50.39724 
1 1 1 -13 21 31 o 66.10715 21.61659 132.9100       96.48090 -396.7311      476.0281 155.5991       98.52578 78.15600 37.28913 70.44944 21.70721 7.706558       43.14722 
1 1 1 -13 21 32 o 194.8168 9.259237 1129.849       105.4891 1132.648       453.4204 1129.689       108.4653 168.9898 44.96516 194.7178 9.526978 -25.72798      45.96334 
1 1 1 -13 21 33 o 39.40786 17.54661 -23.20050      81.81901 -344.4206      401.0048 -9.247140      83.57717 70.30080 33.72448 41.44584 18.12112 28.85496       38.28467 
1 1 1 -13 21 34 o 119.0975 13.48548 435.5727       92.53765 797.4901       438.3281 418.6897       94.67142 134.0084 46.10048 116.4796 14.14837 17.52884       48.22272 
1 1 1 -13 21 35 o 79.85015 19.31065 209.0819       89.43203 -107.3303      400.6129 225.6774       91.74737 76.75951 35.87737 83.03320 19.22059 -6.273697      40.70156 
1 1 1 -13 21 36 o 205.0313 9.483084 1261.143       113.7215 1367.456       447.6376 1253.809       117.5790 178.1200 43.28233 204.2548 9.844365 -26.13475      44.38774 
1 1 1 -13 21 37 o 207.7483 9.472713 1297.793       115.1114 1067.625       423.4813 1316.156       119.6152 150.0850 44.74804 209.0435 9.783756 -58.95847      45.80512 
1 1 1 -13 21 38 o 159.2508 11.44802 774.3976       106.2074 809.9224       416.1736 771.9229       109.8446 125.9510 44.80478 158.7526 11.88422 -32.80156      46.35410 
1 1 1 -13 21 39 o 55.03544 21.55116 77.59277       101.1130 -77.87196      473.9766 85.00520       103.4954 77.57253 37.06509 56.39471 21.88318 21.17782       43.04294 
1 1 1 -13 21 40 o 97.27058 20.32410 323.0004       112.2002 -221.3306      446.8086 359.6353       115.9144 70.65257 34.30701 103.0713 19.89622 -32.41872      39.65893 
1 1 1 -13 21 41 o 144.5265 13.99035 659.1133       117.1030 232.4081       414.6543 696.0952       122.0721 83.55131 38.12774 148.3995 14.19895 -64.84818      40.68581 
1 1 1 -13 21 42 o 50.99593 21.70699 38.49232       113.8016 -257.7911      378.4171 67.95217       119.3252 63.70000 31.07454 55.10952 22.75393 8.590488       38.51452 
1 1 1 -13 21 43 o 35.26999 17.19863 -170.1158      115.5835 263.2733       371.3664 -216.6009      121.6244 81.87953 36.84863 34.33700 16.92465 47.54253       40.54954 
1 1 1 -13 21 44 o 43.81411 20.41914 -66.11656      128.2434 119.2606       384.4429 -89.32768      136.0354 75.07470 35.10816 43.63950 20.55757 31.43520       40.68410 
1 1 1 -13 22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 22 2  o 567.4889 17.32726 9565.423       576.0082 9565.423       576.0082 0.000000       0.000000 567.4889 17.32726 ?        ?        0.000000       17.32726 
1 1 1 -13 22 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 22 4  o 148.9012 11.93605 658.0494       103.3617 0.000000       0.000000 658.0494       103.3617 ?        ?        148.9012 11.93605 0.000000       11.93605 
1 1 1 -13 22 5  o 321.4442 8.242158 3040.430       155.2525 0.000000       0.000000 3040.430       155.2525 ?        ?        321.4442 8.242158 0.000000       8.242158 
1 1 1 -13 22 6  o 198.3126 8.172955 1158.446       94.85239 0.000000       0.000000 1158.446       94.85239 ?        ?        198.3126 8.172955 0.000000       8.172955 
1 1 1 -13 22 7  o 411.7516 8.624425 4987.603       208.2648 0.000000       0.000000 4987.603       208.2648 ?        ?        411.7516 8.624425 0.000000       8.624425 
1 1 1 -13 22 8  f 249.9493 7.563473 1838.354       110.7449 0.000000       0.000000 1838.354       110.7449 ?        ?        249.9493 7.563473 0.000000       7.563473 
1 1 1 -13 22 9  o 187.8528 8.029980 1039.760       88.26318 0.000000       0.000000 1039.760       88.26318 ?        ?        187.8528 8.029980 0.000000       8.029980 
1 1 1 -13 22 10 o 345.4298 8.072644 3509.792       163.5408 0.000000       0.000000 3509.792       163.5408 ?        ?        345.4298 8.072644 0.000000       8.072644 
1 1 1 -13 22 11 o 183.8949 34.18258 1075.936       355.0928 0.000000       0.000000 1075.936       355.0928 ?        ?        183.8949 34.18258 0.000000       34.18258 
1 1 1 -13 22 12 o 298.5818 7.821665 2623.960       136.8481 0.000000       0.000000 2623.960       136.8481 ?        ?        298.5818 7.821665 0.000000       7.821665 
1 1 1 -13 22 13 o 401.7918 8.578184 4751.682       202.1375 0.000000       0.000000 4751.682       202.1375 ?        ?        401.7918 8.578184 0.000000       8.578184 
1 1 1 -13 22 14 o 281.1211 9.636209 2331.170       158.6381 0.000000       0.000000 2331.170       158.6381 ?        ?        281.1211 9.636209 0.000000       9.636209 
1 1 1 -13 22 15 o 276.7344 11.49904 2264.858       186.2207 0.000000       0.000000 2264.858       186.2207 ?        ?        276.7344 11.49904 0.000000       11.49904 
1 1 1 -13 22 16 o 422.0381 8.985120 5244.818       222.3955 0.000000       0.000000 5244.818       222.3955 ?        ?        422.0381 8.985120 0.000000       8.985120 
1 1 1 -13 22 17 o 160.7914 11.64769 767.3295       109.0935 0.000000       0.000000 767.3295       109.0935 ?        ?        160.7914 11.64769 0.000000       11.64769 
1 1 1 -13 22 18 o 44.14108 19.15474 -12.04583      91.90502 0.000000       0.000000 -12.04583      91.90502 ?        ?        44.14108 19.15474 0.000000       19.15474 
1 1 1 -13 22 19 o 252.3182 11.53847 1883.614       170.2929 0.000000       0.000000 1883.614       170.2929 ?        ?        252.3182 11.53847 0.000000       11.53847 
1 1 1 -13 22 20 o 389.5840 8.901301 4469.504       203.3785 0.000000       0.000000 4469.504       203.3785 ?        ?        389.5840 8.901301 0.000000       8.901301 
1 1 1 -13 22 21 o 211.2709 9.569561 1318.293       118.2642 0.000000       0.000000 1318.293       118.2642 ?        ?        211.2709 9.569561 0.000000       9.569561 
1 1 1 -13 22 22 o 63.10541 20.95712 114.5385       90.55967 0.000000       0.000000 114.5385       90.55967 ?        ?        63.10541 20.95712 0.000000       20.95712 
1 1 1 -13 22 23 o 290.4580 8.280375 2486.972       140.9095 2264.747       558.7080 2502.068       145.6168 264.4852 37.03261 291.2916 8.532991 -26.80640      38.00297 
1 1 1 -13 22 24 o 284.5118 8.372943 2387.698       139.5585 2529.368       555.2351 2378.145       144.1875 280.3700 34.49339 283.8813 8.670610 -3.511230      35.56646 
1 1 1 -13 22 25 f 89.29171 19.02505 249.0237       96.57848 24.39590       512.6185 257.2904       98.33956 101.1965 44.54209 90.77981 19.07798 10.41673       48.45583 
1 1 1 -13 22 26 o 151.6363 13.69388 690.2067       120.4701 -252.5764      544.5802 738.7174       123.5306 92.14188 42.64413 156.9503 13.55295 -64.80837      44.74600 
1 1 1 -13 22 27 o 154.5919 13.63838 717.7234       122.3849 -421.9810      511.4502 786.9462       126.0468 83.08613 39.35595 161.9948 13.38662 -78.90870      41.57033 
1 1 1 -13 22 28 o 98.42150 18.30445 301.8419       101.7690 -297.8573      534.7339 324.3796       103.6637 88.62807 41.43307 102.2217 17.94585 -13.59364      45.15255 
1 1 1 -13 22 29 o 92.57273 19.39443 270.4449       101.9189 227.1956       552.8736 271.9663       103.6960 110.0546 47.36567 92.76173 19.67167 17.29283       51.28821 
1 1 1 -13 22 30 o 81.10255 20.58127 210.5629       98.04057 -302.1447      532.6254 228.5436       99.74490 86.17255 40.61967 84.52934 20.36313 1.643211       45.43803 
1 1 1 -13 22 31 o 59.97869 20.97852 103.4494       90.94269 -269.3657      493.2928 116.5665       92.52872 82.34015 38.89746 62.50773 21.18844 19.83242       44.29404 
1 1 1 -13 22 32 o 75.15787 20.06297 183.2816       90.08695 9.279375       447.6161 190.6271       91.96882 87.56512 39.82555 76.59574 20.19085 10.96938       44.65137 
1 1 1 -13 22 33 o 128.9796 12.30593 506.0996       91.95930 444.2722       412.0198 509.3409       94.33904 108.0828 43.12972 129.2832 12.60202 -21.20049      44.93311 
1 1 1 -13 22 34 o 71.47597 20.76493 167.8663       92.18987 -455.9046      448.6098 195.3701       94.20040 69.86553 34.02709 76.90450 20.50989 -7.038963      39.73032 
1 1 1 -13 22 35 o 76.35892 20.38067 193.6896       92.97090 -118.0501      431.2790 208.8823       95.20943 77.87939 36.66137 79.27425 20.37000 -1.394859      41.94035 
1 1 1 -13 22 36 o 113.6175 15.15312 406.1727       98.45605 686.5851       431.1557 390.7460       101.1280 118.4272 44.99096 110.9886 15.99744 7.438606       47.75044 
1 1 1 -13 22 37 o 69.90162 21.49776 164.8621       96.68918 127.2131       411.0818 167.0669       99.48005 83.55631 38.06572 70.30329 21.83762 13.25302       43.88485 
1 1 1 -13 22 38 o 38.84217 18.06620 -67.22264      99.60919 -241.9583      481.5355 -59.41146      101.8113 73.67050 35.73575 39.97215 18.47802 33.69835       40.23035 
1 1 1 -13 22 39 o 86.39424 21.24223 258.7166       106.8644 726.6897       467.1568 232.8759       109.7752 111.5144 45.41547 81.34801 22.33296 30.16644       50.60955 
1 1 1 -13 22 40 o 141.7695 14.25250 635.2633       116.8955 540.8355       421.0219 643.1506       121.6795 99.85177 42.09242 142.2600 14.80038 -42.40820      44.61864 
1 1 1 -13 22 41 o 144.4556 14.29565 661.5745       119.5259 249.9486       420.5325 697.7496       124.6675 83.85007 38.31474 148.2006 14.52995 -64.35056      40.97729 
1 1 1 -13 22 42 o 43.85863 20.15674 -44.61947      118.6625 -90.87938      392.2890 -39.96046      124.4947 68.90542 33.13310 45.27013 20.74637 23.63528       39.09238 
1 1 1 -13 22 43 o 42.50567 19.92565 -78.09698      125.0975 -683.4049      389.0900 -8.312284      132.1119 54.35114 27.32310 48.95862 22.01024 5.392517       35.08564 
1 1 1 -13 23 1  o 154.7185 9.323924 707.1778       84.21152 0.000000       0.000000 707.1778       84.21152 ?        ?        154.7185 9.323924 0.000000       9.323924 
1 1 1 -13 23 2  o 172.1839 10.42033 876.7233       104.7338 520.8392       314.9220 920.9801       111.0552 128.0189 38.68497 176.4402 10.78376 -48.42139      40.15989 
1 1 1 -13 23 3  o 210.6940 8.307553 1307.788       102.4528 0.000000       0.000000 1307.788       102.4528 ?        ?        210.6940 8.307553 0.000000       8.307553 
1 1 1 -13 23 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 23 5  o 306.8066 8.283092 2771.019       148.9053 0.000000       0.000000 2771.019       148.9053 ?        ?        306.8066 8.283092 0.000000       8.283092 
1 1 1 -13 23 6  o 216.5042 7.959997 1380.457       100.8997 0.000000       0.000000 1380.457       100.8997 ?        ?        216.5042 7.959997 0.000000       7.959997 
1 1 1 -13 23 7  f 235.9515 7.918751 1639.250       109.4244 0.000000       0.000000 1639.250       109.4244 ?        ?        235.9515 7.918751 0.000000       7.918751 
1 1 1 -13 23 8  o 208.4293 7.976366 1279.681       97.32223 0.000000       0.000000 1279.681       97.32223 ?        ?        208.4293 7.976366 0.000000       7.976366 
1 1 1 -13 23 9  o 334.9536 8.108421 3300.575       159.2838 0.000000       0.000000 3300.575       159.2838 ?        ?        334.9536 8.108421 0.000000       8.108421 
1 1 1 -13 23 10 o 464.7582 21.34660 6491.289       580.2899 0.000000       0.000000 6491.289       580.2899 ?        ?        464.7582 21.34660 0.000000       21.34660 
1 1 1 -13 23 11 f 279.4902 9.753161 2304.466       159.6233 0.000000       0.000000 2304.466       159.6233 ?        ?        279.4902 9.753161 0.000000       9.753161 
1 1 1 -13 23 12 o 305.0488 7.866742 2739.177       140.6217 0.000000       0.000000 2739.177       140.6217 ?        ?        305.0488 7.866742 0.000000       7.866742 
1 1 1 -13 23 13 o 321.4904 8.054612 3042.823       151.7473 0.000000       0.000000 3042.823       151.7473 ?        ?        321.4904 8.054612 0.000000       8.054612 
1 1 1 -13 23 14 o 453.4794 9.228575 6056.683       245.4385 0.000000       0.000000 6056.683       245.4385 ?        ?        453.4794 9.228575 0.000000       9.228575 
1 1 1 -13 23 15 o 116.1314 13.24061 404.0484       88.57052 0.000000       0.000000 404.0484       88.57052 ?        ?        116.1314 13.24061 0.000000       13.24061 
1 1 1 -13 23 16 o 125.4112 13.64418 470.9154       98.73802 0.000000       0.000000 470.9154       98.73802 ?        ?        125.4112 13.64418 0.000000       13.64418 
1 1 1 -13 23 17 o 237.0685 10.00034 1659.390       138.7275 0.000000       0.000000 1659.390       138.7275 ?        ?        237.0685 10.00034 0.000000       10.00034 
1 1 1 -13 23 18 o 137.6248 13.47579 565.9056       107.3755 0.000000       0.000000 565.9056       107.3755 ?        ?        137.6248 13.47579 0.000000       13.47579 
1 1 1 -13 23 19 f 120.5002 14.72504 436.9714       101.9034 0.000000       0.000000 436.9714       101.9034 ?        ?        120.5002 14.72504 0.000000       14.72504 
1 1 1 -13 23 20 o 35.01738 16.52555 -98.27916      88.62569 0.000000       0.000000 -98.27916      88.62569 ?        ?        35.01738 16.52555 0.000000       16.52555 
1 1 1 -13 23 21 o 251.9434 8.769906 1872.453       129.3855 0.000000       0.000000 1872.453       129.3855 ?        ?        251.9434 8.769906 0.000000       8.769906 
1 1 1 -13 23 22 o 285.8851 8.670895 2410.806       145.2124 0.000000       0.000000 2410.806       145.2124 ?        ?        285.8851 8.670895 0.000000       8.670895 
1 1 1 -13 23 23 o 124.8790 14.16479 469.6872       101.9106 0.000000       0.000000 469.6872       101.9106 ?        ?        124.8790 14.16479 0.000000       14.16479 
1 1 1 -13 23 24 o 216.8839 12.13846 1399.665       153.7820 1156.119       605.4000 1416.463       158.9971 175.9288 53.73440 218.0950 12.48276 -42.16615      55.16526 
1 1 1 -13 23 25 o 180.4406 10.37577 966.5599       109.3378 708.8976       519.4036 978.5071       111.8439 142.0301 50.09893 181.5182 10.55159 -39.48808      51.19804 
1 1 1 -13 23 26 o 91.30914 18.80025 260.8125       97.32095 -1.565880      517.0479 270.4495       99.09211 99.20722 44.14491 93.01526 18.81212 6.191963       47.98613 
1 1 1 -13 23 27 o 180.2909 10.90249 967.5998       114.7402 -32.83329      494.2224 1024.595       117.9633 95.29760 42.72859 185.5465 10.88821 -90.24886      44.09405 
1 1 1 -13 23 28 o 39.58969 18.66736 -116.4297      112.6469 544.3880       529.5479 -147.7496      115.2855 126.9073 49.42806 38.19512 18.25821 88.71223       52.69246 
1 1 1 -13 23 29 o 117.0996 20.07633 432.0776       132.9165 148.2018       522.3389 451.7318       137.4408 102.8906 45.13563 119.7024 20.30243 -16.81175      49.49155 
1 1 1 -13 23 30 o 111.0221 15.63115 380.7713       98.96334 464.0467       501.0277 377.3905       100.9522 116.0437 47.11718 110.3657 16.06810 5.678001       49.78165 
1 1 1 -13 23 31 o 48.49750 20.09662 28.76509       93.54438 -675.0670      454.1958 59.94265       95.59379 66.76866 32.87074 53.24242 20.92313 13.52624       38.96489 
1 1 1 -13 23 32 o 132.1624 12.37367 531.1907       94.79337 530.6989       438.5798 531.2148       97.08824 114.4374 44.86273 132.0434 12.69335 -17.60604      46.62387 
1 1 1 -13 23 33 o 41.20064 18.29326 -19.63484      88.29767 -217.3515      447.0576 -11.60890      90.07198 76.78584 36.49424 42.49824 18.68965 34.28760       41.00161 
1 1 1 -13 23 34 o 34.16159 16.30885 -108.6090      91.34928 525.8657       469.3067 -133.5944      93.13055 110.1634 45.26776 32.98405 15.93112 77.17935       47.98928 
1 1 1 -13 23 35 o 44.75993 19.30690 6.707593       92.25548 147.3447       447.8864 0.4763178      94.27713 87.99667 39.94939 44.46948 19.34779 43.52719       44.38796 
1 1 1 -13 23 36 o 92.31530 19.29353 282.9634       101.0868 -241.7123      433.7239 313.1011       103.9496 71.81272 34.60910 97.46150 18.86803 -25.64878      39.41817 
1 1 1 -13 23 37 o 70.08952 21.84904 167.1537       99.48697 -282.1848      488.2002 186.6221       101.6193 73.32613 35.66376 73.69697 21.90740 -0.3708420     41.85496 
1 1 1 -13 23 38 o 73.89764 22.92747 191.1552       109.6930 74.29659       490.0685 197.3187       112.5486 82.27865 38.83867 74.91119 23.22102 7.367462       45.25106 
1 1 1 -13 23 39 f 45.89036 20.17314 1.522784       104.8396 -55.00975      406.2572 5.556240       108.5152 72.96550 34.71004 46.97737 20.59121 25.98813       40.35821 
1 1 1 -13 23 40 o 56.29241 22.20513 85.82580       108.0246 -371.2957      463.6445 112.0647       111.0816 66.86627 32.97473 60.30178 22.85325 6.564487       40.11987 
1 1 1 -13 23 41 o 52.15062 22.08845 45.89845       116.8416 601.1116       460.5174 7.698722       120.7942 98.93111 42.90432 48.82574 21.55111 50.10537       48.01283 
1 1 1 -13 23 42 o 98.11173 22.20615 345.4766       124.7857 -513.3234      422.1002 427.7214       130.6243 59.98737 29.90175 110.6416 20.89619 -50.65424      36.47966 
1 1 1 -13 23 43 o 90.36615 24.30419 307.9565       131.5930 -213.9367      407.8680 368.5945       139.0278 65.24802 31.92219 99.36540 24.10618 -34.11739      40.00167 
1 1 1 -13 24 1  f 307.3489 8.377775 2781.358       150.8710 0.000000       0.000000 2781.358       150.8710 ?        ?        307.3489 8.377775 0.000000       8.377775 
1 1 1 -13 24 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 24 3  o 235.8778 9.488048 1641.221       130.9867 1104.006       315.2323 1753.334       144.0076 188.1423 29.54112 243.7201 10.09683 -55.57777      31.21897 
1 1 1 -13 24 4  o 265.5920 8.357645 2077.522       130.0195 0.000000       0.000000 2077.522       130.0195 ?        ?        265.5920 8.357645 0.000000       8.357645 
1 1 1 -13 24 5  o 295.3654 8.392118 2569.118       145.2249 0.000000       0.000000 2569.118       145.2249 ?        ?        295.3654 8.392118 0.000000       8.392118 
1 1 1 -13 24 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 24 7  o 295.6212 7.995823 2572.770       138.5002 0.000000       0.000000 2572.770       138.5002 ?        ?        295.6212 7.995823 0.000000       7.995823 
1 1 1 -13 24 8  o 47.16483 18.54090 39.02174       75.08664 0.000000       0.000000 39.02174       75.08664 ?        ?        47.16483 18.54090 0.000000       18.54090 
1 1 1 -13 24 9  o 582.2532 12.80287 10024.31       437.1895 0.000000       0.000000 10024.31       437.1895 ?        ?        582.2532 12.80287 0.000000       12.80287 
1 1 1 -13 24 10 o 264.3521 8.138013 2058.094       126.0184 0.000000       0.000000 2058.094       126.0184 ?        ?        264.3521 8.138013 0.000000       8.138013 
1 1 1 -13 24 11 o 303.0775 9.951580 2710.110       176.6473 0.000000       0.000000 2710.110       176.6473 ?        ?        303.0775 9.951580 0.000000       9.951580 
1 1 1 -13 24 12 o 125.1933 11.26766 466.2519       81.84624 0.000000       0.000000 466.2519       81.84624 ?        ?        125.1933 11.26766 0.000000       11.26766 
1 1 1 -13 24 13 f 407.5375 8.800689 4889.569       210.3463 0.000000       0.000000 4889.569       210.3463 ?        ?        407.5375 8.800689 0.000000       8.800689 
1 1 1 -13 24 14 o 374.2976 8.639783 4123.867       189.6577 0.000000       0.000000 4123.867       189.6577 ?        ?        374.2976 8.639783 0.000000       8.639783 
1 1 1 -13 24 15 o 274.6756 9.360132 2224.831       150.5628 0.000000       0.000000 2224.831       150.5628 ?        ?        274.6756 9.360132 0.000000       9.360132 
1 1 1 -13 24 16 o 230.0504 9.931394 1562.743       133.6779 0.000000       0.000000 1562.743       133.6779 ?        ?        230.0504 9.931394 0.000000       9.931394 
1 1 1 -13 24 17 o 180.0795 10.38846 959.5441       109.2493 0.000000       0.000000 959.5441       109.2493 ?        ?        180.0795 10.38846 0.000000       10.38846 
1 1 1 -13 24 18 o 259.8503 9.101376 1991.614       138.4872 0.000000       0.000000 1991.614       138.4872 ?        ?        259.8503 9.101376 0.000000       9.101376 
1 1 1 -13 24 19 o 236.6821 9.326804 1653.763       129.2105 0.000000       0.000000 1653.763       129.2105 ?        ?        236.6821 9.326804 0.000000       9.326804 
1 1 1 -13 24 20 o 332.7284 8.563203 3263.676       166.9612 0.000000       0.000000 3263.676       166.9612 ?        ?        332.7284 8.563203 0.000000       8.563203 
1 1 1 -13 24 21 o 116.3770 15.10384 409.7425       100.6579 0.000000       0.000000 409.7425       100.6579 ?        ?        116.3770 15.10384 0.000000       15.10384 
1 1 1 -13 24 22 o 167.1270 11.20325 830.3955       109.1755 0.000000       0.000000 830.3955       109.1755 ?        ?        167.1270 11.20325 0.000000       11.20325 
1 1 1 -13 24 23 o 181.9021 10.81505 982.7741       114.8555 0.000000       0.000000 982.7741       114.8555 ?        ?        181.9021 10.81505 0.000000       10.81505 
1 1 1 -13 24 24 o 153.2737 12.29442 702.1223       109.5902 0.000000       0.000000 702.1223       109.5902 ?        ?        153.2737 12.29442 0.000000       12.29442 
1 1 1 -13 24 25 o 63.22446 21.56370 114.4467       95.85328 0.000000       0.000000 114.4467       95.85328 ?        ?        63.22446 21.56370 0.000000       21.56370 
1 1 1 -13 24 26 o 183.5411 12.14798 1006.367       130.0281 36.55163       565.5233 1060.499       133.6077 103.5128 46.10772 188.4307 12.15493 -84.91789      47.68295 
1 1 1 -13 24 27 o 232.0774 9.465111 1597.439       128.5573 1984.183       543.5114 1574.519       132.3118 238.0779 40.36648 230.3049 9.818446 7.772995       41.54340 
1 1 1 -13 24 28 o 201.3276 10.11681 1206.542       119.0703 0.000000       0.000000 1206.542       119.0703 ?        ?        201.3276 10.11681 0.000000       10.11681 
1 1 1 -13 24 29 o 140.0428 12.87030 593.5361       104.5249 556.6874       480.2966 595.3681       107.0916 121.6858 47.16278 140.1545 13.18343 -18.46867      48.97071 
1 1 1 -13 24 30 o 61.91590 21.25978 114.4606       93.20612 -125.6351      483.7070 123.7191       94.98621 85.10636 39.66072 63.73481 21.46836 21.37156       45.09837 
1 1 1 -13 24 31 o 118.0506 14.73495 430.9773       99.80064 84.34130       445.4049 449.3004       102.4044 89.51680 40.31432 120.5413 14.79540 -31.02448      42.94355 
1 1 1 -13 24 32 o 252.6448 8.680424 1902.877       128.4270 1139.208       476.8503 1962.602       133.3545 158.2702 47.55346 256.4868 8.878660 -98.21663      48.37523 
1 1 1 -13 24 33 o 41.99749 18.66255 -19.66195      92.09058 82.26759       445.1447 -24.21943      94.12685 86.98721 39.62204 41.99770 18.75200 44.98951       43.83541 
1 1 1 -13 24 34 o 31.44130 15.37449 -163.6992      94.24638 -434.1551      474.0042 -152.5671      96.16644 70.91320 34.63358 32.53574 15.82538 38.37746       38.07792 
1 1 1 -13 24 35 o 51.59192 20.88233 53.47839       98.06126 187.8744       469.3707 47.34456       100.2741 88.91332 40.57111 51.12342 20.95678 37.78991       45.66400 
1 1 1 -13 24 36 o 151.1275 12.41791 703.1868       109.0933 827.5213       473.4749 696.2159       112.1097 121.9576 46.94427 150.1179 12.85756 -28.16032      48.67321 
1 1 1 -13 24 37 o 88.59960 20.27064 267.2125       103.0410 280.4138       486.6025 266.5928       105.4319 90.09659 41.18639 88.23338 20.72882 1.863205       46.10860 
1 1 1 -13 24 38 o 58.87850 22.44401 101.8706       107.5228 -387.8712      437.5056 133.3523       110.9249 65.80349 32.36922 63.90762 23.08366 1.895866       39.75704 
1 1 1 -13 24 39 o 175.2766 11.89079 949.1427       121.5085 514.8734       487.3371 977.9291       125.4711 96.32758 42.86102 177.7600 12.10763 -81.43244      44.53832 
1 1 1 -13 24 40 o 44.89295 20.08846 -12.61773      108.6495 -48.27199      506.7769 -10.89995      111.2360 75.98833 36.81283 45.52800 20.35273 30.46034       42.06445 
1 1 1 -13 24 41 o 70.10578 24.73762 177.9746       126.6467 0.000000       0.000000 177.9746       126.6467 ?        ?        70.10578 24.73762 0.000000       24.73762 
1 1 1 -13 24 42 o 45.20352 20.69768 -36.46186      123.5481 21.12678       436.5803 -41.47526      128.8137 73.63876 35.28945 45.71685 21.00725 27.92191       41.06884 
1 1 1 -13 25 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 25 2  o 377.6959 9.663124 4205.391       213.8718 4543.389       418.5858 4085.981       248.7990 389.9437 18.35492 371.9009 11.42052 18.04282       21.61785 
1 1 1 -13 25 3  o 278.8811 8.338034 2290.626       136.2214 0.000000       0.000000 2290.626       136.2214 ?        ?        278.8811 8.338034 0.000000       8.338034 
1 1 1 -13 25 4  o 175.4398 9.506839 909.2914       97.45167 0.000000       0.000000 909.2914       97.45167 ?        ?        175.4398 9.506839 0.000000       9.506839 
1 1 1 -13 25 5  o 255.8286 8.624686 1928.580       129.2175 0.000000       0.000000 1928.580       129.2175 ?        ?        255.8286 8.624686 0.000000       8.624686 
1 1 1 -13 25 6  o 304.1608 8.726337 2725.572       155.5022 0.000000       0.000000 2725.572       155.5022 ?        ?        304.1608 8.726337 0.000000       8.726337 
1 1 1 -13 25 7  o 352.0807 8.529069 3648.461       176.1142 0.000000       0.000000 3648.461       176.1142 ?        ?        352.0807 8.529069 0.000000       8.529069 
1 1 1 -13 25 8  o 101.6474 40.62486 202.8354       366.1232 0.000000       0.000000 202.8354       366.1232 ?        ?        101.6474 40.62486 0.000000       40.62486 
1 1 1 -13 25 9  o 247.6878 30.35398 1906.894       431.7255 0.000000       0.000000 1906.894       431.7255 ?        ?        247.6878 30.35398 0.000000       30.35398 
1 1 1 -13 25 10 o 192.1767 10.05910 1091.484       112.9785 0.000000       0.000000 1091.484       112.9785 ?        ?        192.1767 10.05910 0.000000       10.05910 
1 1 1 -13 25 11 o 96.94666 41.25869 66.42866       410.9966 0.000000       0.000000 66.42866       410.9966 ?        ?        96.94666 41.25869 0.000000       41.25869 
1 1 1 -13 25 12 o 186.0296 13.27494 1028.941       143.8804 0.000000       0.000000 1028.941       143.8804 ?        ?        186.0296 13.27494 0.000000       13.27494 
1 1 1 -13 25 13 o 182.9902 13.67461 996.6263       145.6940 0.000000       0.000000 996.6263       145.6940 ?        ?        182.9902 13.67461 0.000000       13.67461 
1 1 1 -13 25 14 o 276.5537 11.51298 2262.042       186.3231 0.000000       0.000000 2262.042       186.3231 ?        ?        276.5537 11.51298 0.000000       11.51298 
1 1 1 -13 25 15 o 100.7414 16.43367 309.3282       93.75006 0.000000       0.000000 309.3282       93.75006 ?        ?        100.7414 16.43367 0.000000       16.43367 
1 1 1 -13 25 16 o 54.39871 21.06429 58.60575       95.74207 0.000000       0.000000 58.60575       95.74207 ?        ?        54.39871 21.06429 0.000000       21.06429 
1 1 1 -13 25 17 o 251.1945 8.824998 1861.002       129.8076 0.000000       0.000000 1861.002       129.8076 ?        ?        251.1945 8.824998 0.000000       8.824998 
1 1 1 -13 25 18 o 250.5439 9.220760 1852.922       135.2570 0.000000       0.000000 1852.922       135.2570 ?        ?        250.5439 9.220760 0.000000       9.220760 
1 1 1 -13 25 19 o 91.76273 18.53288 261.0761       96.29926 0.000000       0.000000 261.0761       96.29926 ?        ?        91.76273 18.53288 0.000000       18.53288 
1 1 1 -13 25 20 o 94.53211 19.22194 278.1092       102.9338 0.000000       0.000000 278.1092       102.9338 ?        ?        94.53211 19.22194 0.000000       19.22194 
1 1 1 -13 25 21 o 113.7261 15.36177 392.7520       99.84180 0.000000       0.000000 392.7520       99.84180 ?        ?        113.7261 15.36177 0.000000       15.36177 
1 1 1 -13 25 22 o 159.2729 12.17343 757.1688       112.8501 0.000000       0.000000 757.1688       112.8501 ?        ?        159.2729 12.17343 0.000000       12.17343 
1 1 1 -13 25 23 o 122.5735 15.45372 456.3288       108.6272 0.000000       0.000000 456.3288       108.6272 ?        ?        122.5735 15.45372 0.000000       15.45372 
1 1 1 -13 25 24 o 134.5519 18.74685 557.4028       143.9227 0.000000       0.000000 557.4028       143.9227 ?        ?        134.5519 18.74685 0.000000       18.74685 
1 1 1 -13 25 25 o 136.8017 14.12758 565.3254       111.7183 0.000000       0.000000 565.3254       111.7183 ?        ?        136.8017 14.12758 0.000000       14.12758 
1 1 1 -13 25 26 o 217.6566 10.17621 1408.153       129.5402 0.000000       0.000000 1408.153       129.5402 ?        ?        217.6566 10.17621 0.000000       10.17621 
1 1 1 -13 25 27 o 117.7923 15.84309 426.4238       106.6752 0.000000       0.000000 426.4238       106.6752 ?        ?        117.7923 15.84309 0.000000       15.84309 
1 1 1 -13 25 28 o 132.7399 13.52855 535.5880       103.8477 -226.7578      490.8174 571.3149       106.2532 83.61687 39.28333 137.1886 13.37574 -53.57175      41.49807 
1 1 1 -13 25 29 o 42.40510 18.80969 -21.89997      93.12687 1.711132       456.6972 -22.92433      95.12557 88.09393 40.12875 42.77156 18.98926 45.32236       44.39491 
1 1 1 -13 25 30 o 57.17197 21.21157 87.49558       94.63036 -359.6423      474.6470 106.0043       96.56905 75.70908 36.41513 60.48428 21.57560 15.22481       42.32692 
1 1 1 -13 25 31 o 187.0850 10.45684 1052.396       114.2768 130.6257       503.9091 1102.372       117.3339 93.18162 42.33124 191.4738 10.48879 -98.29214      43.61134 
1 1 1 -13 25 32 o 34.19055 16.34114 -111.8760      92.26286 -286.6715      483.9188 -105.2824      93.98689 76.71930 36.86700 35.08556 16.69171 41.63374       40.46961 
1 1 1 -13 25 33 o 132.2793 13.77839 541.4128       105.3261 -226.6324      447.1083 586.5390       108.3761 74.73929 35.78896 137.8276 13.58384 -63.08835      38.28016 
1 1 1 -13 25 34 o 115.7104 16.04409 425.5712       105.9518 651.5580       486.5784 414.3228       108.5566 112.4307 46.13473 113.7519 16.77513 -1.321182      49.08990 
1 1 1 -13 25 35 o 79.53725 21.28499 216.5106       101.2391 53.55490       459.6408 224.8192       103.7880 82.39686 38.48518 80.95330 21.50039 1.443558       44.08374 
1 1 1 -13 25 36 o 66.26694 22.03127 147.2191       100.0743 192.0503       448.1537 144.8663       102.6667 85.95479 39.38046 65.91922 22.31925 20.03557       45.26554 
1 1 1 -13 25 37 o 55.46115 21.68415 81.85217       102.2329 357.5598       450.6877 66.89598       104.9692 91.36730 40.89707 53.72016 21.65472 37.64714       46.27632 
1 1 1 -13 25 38 o 52.74007 21.56491 60.59822       105.8427 144.2317       471.6122 56.16238       108.6133 81.72382 38.42942 52.55839 21.70538 29.16544       44.13552 
1 1 1 -13 25 39 o 98.94120 20.00530 336.1508       112.0890 539.8966       514.7253 326.0079       114.8452 95.98721 43.27345 96.79820 20.84663 -0.8109970     48.03304 
1 1 1 -13 25 40 o 68.71277 24.08419 168.7727       119.9019 -636.5947      484.7494 221.2571       123.7472 61.90028 31.03162 77.08897 24.41516 -15.18869      39.48495 
1 1 1 -13 25 41 o 53.45691 22.86138 47.66232       127.2829 81.52602       458.9031 44.84006       132.4807 76.53348 36.54182 53.82856 23.17670 22.70491       43.27198 
1 1 1 -13 26 1  o 391.3042 9.386504 4509.796       215.4115 0.000000       0.000000 4509.796       215.4115 ?        ?        391.3042 9.386504 0.000000       9.386504 
1 1 1 -13 26 2  o 701.8771 19.93627 14744.48       819.8139 14744.48       819.8139 0.000000       0.000000 701.8771 19.93627 ?        ?        0.000000       19.93627 
1 1 1 -13 26 3  o 326.0967 22.66030 3212.703       430.6778 3212.703       430.6778 0.000000       0.000000 326.0967 22.66030 ?        ?        0.000000       22.66030 
1 1 1 -13 26 4  o 168.1399 10.64441 837.0123       104.4258 0.000000       0.000000 837.0123       104.4258 ?        ?        168.1399 10.64441 0.000000       10.64441 
1 1 1 -13 26 5  o 233.4706 8.510292 1606.331       116.3322 1916.198       400.5932 1577.792       121.5713 249.4413 27.85830 231.3198 8.978276 18.12152       29.26934 
1 1 1 -13 26 6  o 533.4883 14.17007 8435.936       442.9583 0.000000       0.000000 8435.936       442.9583 ?        ?        533.4883 14.17007 0.000000       14.17007 
1 1 1 -13 26 7  o 212.1628 9.066376 1327.801       112.5514 0.000000       0.000000 1327.801       112.5514 ?        ?        212.1628 9.066376 0.000000       9.066376 
1 1 1 -13 26 8  f 180.6301 10.70670 965.5928       112.9128 0.000000       0.000000 965.5928       112.9128 ?        ?        180.6301 10.70670 0.000000       10.70670 
1 1 1 -13 26 9  o 145.9233 13.02697 634.6235       110.3144 0.000000       0.000000 634.6235       110.3144 ?        ?        145.9233 13.02697 0.000000       13.02697 
1 1 1 -13 26 10 o 303.3289 31.45583 2858.362       551.4703 0.000000       0.000000 2858.362       551.4703 ?        ?        303.3289 31.45583 0.000000       31.45583 
1 1 1 -13 26 11 o 256.8500 9.015930 1944.989       135.6022 0.000000       0.000000 1944.989       135.6022 ?        ?        256.8500 9.015930 0.000000       9.015930 
1 1 1 -13 26 12 o 198.6857 10.40474 1167.277       120.8182 0.000000       0.000000 1167.277       120.8182 ?        ?        198.6857 10.40474 0.000000       10.40474 
1 1 1 -13 26 13 o 134.4527 12.81594 539.4826       99.83692 0.000000       0.000000 539.4826       99.83692 ?        ?        134.4527 12.81594 0.000000       12.81594 
1 1 1 -13 26 14 o 212.2851 9.227326 1330.213       114.6060 0.000000       0.000000 1330.213       114.6060 ?        ?        212.2851 9.227326 0.000000       9.227326 
1 1 1 -13 26 15 o 380.6482 8.511527 4266.850       190.0124 0.000000       0.000000 4266.850       190.0124 ?        ?        380.6482 8.511527 0.000000       8.511527 
1 1 1 -13 26 16 o 194.4751 10.07260 1118.914       114.4916 0.000000       0.000000 1118.914       114.4916 ?        ?        194.4751 10.07260 0.000000       10.07260 
1 1 1 -13 26 17 o 215.2795 9.633940 1369.883       121.3264 0.000000       0.000000 1369.883       121.3264 ?        ?        215.2795 9.633940 0.000000       9.633940 
1 1 1 -13 26 18 o 263.9828 8.975939 2057.298       138.7631 0.000000       0.000000 2057.298       138.7631 ?        ?        263.9828 8.975939 0.000000       8.975939 
1 1 1 -13 26 19 o 135.9557 13.54125 554.7024       106.5367 0.000000       0.000000 554.7024       106.5367 ?        ?        135.9557 13.54125 0.000000       13.54125 
1 1 1 -13 26 20 o 49.57480 20.34493 28.38928       94.64031 0.000000       0.000000 28.38928       94.64031 ?        ?        49.57480 20.34493 0.000000       20.34493 
1 1 1 -13 26 21 o 103.3412 18.34213 330.8360       107.0951 0.000000       0.000000 330.8360       107.0951 ?        ?        103.3412 18.34213 0.000000       18.34213 
1 1 1 -13 26 22 o 145.2750 13.03994 633.0111       109.9200 0.000000       0.000000 633.0111       109.9200 ?        ?        145.2750 13.03994 0.000000       13.03994 
1 1 1 -13 26 23 o 286.7527 9.247746 2433.125       155.3194 0.000000       0.000000 2433.125       155.3194 ?        ?        286.7527 9.247746 0.000000       9.247746 
1 1 1 -13 26 24 o 330.4566 11.12726 3246.693       215.3442 0.000000       0.000000 3246.693       215.3442 ?        ?        330.4566 11.12726 0.000000       11.12726 
1 1 1 -13 26 25 o 161.7025 12.50601 784.8132       117.6793 0.000000       0.000000 784.8132       117.6793 ?        ?        161.7025 12.50601 0.000000       12.50601 
1 1 1 -13 26 26 o 95.74582 20.13100 292.2534       109.4482 0.000000       0.000000 292.2534       109.4482 ?        ?        95.74582 20.13100 0.000000       20.13100 
1 1 1 -13 26 27 o 103.5661 17.64659 337.0229       103.3446 0.000000       0.000000 337.0229       103.3446 ?        ?        103.5661 17.64659 0.000000       17.64659 
1 1 1 -13 26 28 o 184.9081 10.82094 1025.933       116.8340 0.000000       0.000000 1025.933       116.8340 ?        ?        184.9081 10.82094 0.000000       10.82094 
1 1 1 -13 26 29 o 45.05554 19.67599 -6.630768      98.28059 0.000000       0.000000 -6.630768      98.28059 ?        ?        45.05554 19.67599 0.000000       19.67599 
1 1 1 -13 26 30 o 78.22028 21.05307 202.5446       98.69757 576.8873       533.9337 189.3009       100.4283 115.0399 47.87094 75.62093 21.58241 39.41902       52.51121 
1 1 1 -13 26 31 o 124.1251 14.73748 478.8550       105.1920 715.8402       497.5286 467.7656       107.6251 122.0853 47.80582 122.3854 15.32992 -0.3000641     50.20361 
1 1 1 -13 26 32 o 159.9533 11.99446 779.9736       111.6992 315.3133       486.3876 805.8439       114.7665 97.43557 43.11498 162.5289 12.12764 -65.09338      44.78818 
1 1 1 -13 26 33 o 34.43895 16.61533 -136.7446      100.6173 -220.1924      465.2143 -132.6495      103.0565 74.88699 36.02785 35.26581 16.96389 39.62118       39.82185 
1 1 1 -13 26 34 o 33.38323 16.12070 -131.4196      95.24335 191.8369       517.1891 -142.7671      96.90064 89.65987 41.51726 33.11032 16.05387 56.54955       44.51303 
1 1 1 -13 26 35 o 44.37285 19.55951 -5.620125      99.18655 -193.7036      474.6114 2.969501       101.4261 74.36275 35.92840 45.72904 19.97887 28.63371       41.10968 
1 1 1 -13 26 36 o 130.8848 14.65960 542.3237       110.5972 1130.520       450.5870 504.6152       114.0872 142.6905 46.71833 125.4386 15.86203 17.25188       49.33768 
1 1 1 -13 26 37 o 132.7065 14.93086 561.2535       114.1917 -19.03780      494.7734 593.9030       117.3602 77.66056 37.30866 136.5725 14.89338 -58.91195      40.17149 
1 1 1 -13 26 38 o 51.23632 21.42163 47.49397       107.6614 -244.9078      461.5459 64.31947       110.7156 69.47331 33.98270 53.71768 22.02063 15.75563       40.49361 
1 1 1 -13 26 39 o 54.17974 22.80344 57.38844       123.2553 165.0162       468.3989 49.38148       127.7578 80.24762 37.90724 53.88866 22.97092 26.35896       44.32406 
1 1 1 -13 26 40 o 122.0157 20.57668 516.0135       142.0130 107.1559       474.2574 556.2852       148.8428 77.88738 37.17720 126.5870 20.76836 -48.69965      42.58484 
1 1 1 -13 26 41 o 56.32327 23.43539 76.28014       127.9475 -393.0278      477.3062 112.6141       132.8080 64.84345 32.23608 60.96898 24.43349 3.874477       40.44948 
1 1 1 -13 27 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 27 2  o 237.1765 31.12292 1753.420       422.4792 1753.420       422.4792 0.000000       0.000000 237.1765 31.12292 ?        ?        0.000000       31.12292 
1 1 1 -13 27 3  o 92.30759 20.41331 264.6438       107.5734 0.000000       0.000000 264.6438       107.5734 ?        ?        92.30759 20.41331 0.000000       20.41331 
1 1 1 -13 27 4  o 444.0028 10.33356 5811.663       269.0830 0.000000       0.000000 5811.663       269.0830 ?        ?        444.0028 10.33356 0.000000       10.33356 
1 1 1 -13 27 5  o 354.9672 9.605942 3714.594       199.7926 0.000000       0.000000 3714.594       199.7926 ?        ?        354.9672 9.605942 0.000000       9.605942 
1 1 1 -13 27 6  o 336.5937 9.330035 3339.335       184.0012 0.000000       0.000000 3339.335       184.0012 ?        ?        336.5937 9.330035 0.000000       9.330035 
1 1 1 -13 27 7  o 177.5663 11.16401 934.0364       115.6718 0.000000       0.000000 934.0364       115.6718 ?        ?        177.5663 11.16401 0.000000       11.16401 
1 1 1 -13 27 8  o 74.29347 27.04273 141.1469       152.6256 0.000000       0.000000 141.1469       152.6256 ?        ?        74.29347 27.04273 0.000000       27.04273 
1 1 1 -13 27 9  o 411.4102 9.255016 4985.525       223.3072 0.000000       0.000000 4985.525       223.3072 ?        ?        411.4102 9.255016 0.000000       9.255016 
1 1 1 -13 27 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 27 11 o 164.6979 15.27445 812.2293       145.8571 0.000000       0.000000 812.2293       145.8571 ?        ?        164.6979 15.27445 0.000000       15.27445 
1 1 1 -13 27 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 27 13 o 154.2200 11.52240 706.7776       103.4626 0.000000       0.000000 706.7776       103.4626 ?        ?        154.2200 11.52240 0.000000       11.52240 
1 1 1 -13 27 14 f 302.0860 9.279301 2692.803       164.2030 0.000000       0.000000 2692.803       164.2030 ?        ?        302.0860 9.279301 0.000000       9.279301 
1 1 1 -13 27 15 o 271.2809 8.547406 2170.421       135.8194 0.000000       0.000000 2170.421       135.8194 ?        ?        271.2809 8.547406 0.000000       8.547406 
1 1 1 -13 27 16 o 194.7153 10.43150 1123.312       118.6886 0.000000       0.000000 1123.312       118.6886 ?        ?        194.7153 10.43150 0.000000       10.43150 
1 1 1 -13 27 17 o 304.0506 9.733943 2732.782       173.3506 0.000000       0.000000 2732.782       173.3506 ?        ?        304.0506 9.733943 0.000000       9.733943 
1 1 1 -13 27 18 o 455.3705 9.575523 6124.518       255.7278 0.000000       0.000000 6124.518       255.7278 ?        ?        455.3705 9.575523 0.000000       9.575523 
1 1 1 -13 27 19 o 326.3808 9.103888 3147.562       174.0915 0.000000       0.000000 3147.562       174.0915 ?        ?        326.3808 9.103888 0.000000       9.103888 
1 1 1 -13 27 20 o 174.3256 11.32412 904.7256       115.1489 0.000000       0.000000 904.7256       115.1489 ?        ?        174.3256 11.32412 0.000000       11.32412 
1 1 1 -13 27 21 o 297.9552 9.008570 2624.902       157.2383 0.000000       0.000000 2624.902       157.2383 ?        ?        297.9552 9.008570 0.000000       9.008570 
1 1 1 -13 27 22 o 134.8280 22.81112 573.1141       173.9492 0.000000       0.000000 573.1141       173.9492 ?        ?        134.8280 22.81112 0.000000       22.81112 
1 1 1 -13 27 23 o 224.3251 13.42621 1509.172       175.8288 0.000000       0.000000 1509.172       175.8288 ?        ?        224.3251 13.42621 0.000000       13.42621 
1 1 1 -13 27 24 o 128.5119 15.29128 504.0072       112.9918 0.000000       0.000000 504.0072       112.9918 ?        ?        128.5119 15.29128 0.000000       15.29128 
1 1 1 -13 27 25 o 198.7200 10.32080 1177.694       119.8711 0.000000       0.000000 1177.694       119.8711 ?        ?        198.7200 10.32080 0.000000       10.32080 
1 1 1 -13 27 26 o 60.37958 21.74461 101.5649       98.34072 0.000000       0.000000 101.5649       98.34072 ?        ?        60.37958 21.74461 0.000000       21.74461 
1 1 1 -13 27 27 o 55.85401 21.22463 77.12517       95.96934 0.000000       0.000000 77.12517       95.96934 ?        ?        55.85401 21.22463 0.000000       21.22463 
1 1 1 -13 27 28 o 36.05111 17.05180 -98.77412      95.35265 0.000000       0.000000 -98.77412      95.35265 ?        ?        36.05111 17.05180 0.000000       17.05180 
1 1 1 -13 27 29 o 101.4837 17.81081 329.3404       102.1414 0.000000       0.000000 329.3404       102.1414 ?        ?        101.4837 17.81081 0.000000       17.81081 
1 1 1 -13 27 30 o 102.9958 18.79601 343.3279       109.3543 0.000000       0.000000 343.3279       109.3543 ?        ?        102.9958 18.79601 0.000000       18.79601 
1 1 1 -13 27 31 o 110.8051 17.51149 393.6875       110.0210 0.000000       0.000000 393.6875       110.0210 ?        ?        110.8051 17.51149 0.000000       17.51149 
1 1 1 -13 27 32 o 150.4946 13.06294 698.5489       114.1547 290.7731       524.2167 718.8484       116.9615 94.91036 43.13982 152.6021 13.19830 -57.69173      45.11362 
1 1 1 -13 27 33 o 74.90726 22.68876 193.1639       108.2386 171.2465       511.2511 194.1924       110.7491 88.78309 41.16921 75.03667 22.99499 13.74642       47.15585 
1 1 1 -13 27 34 o 129.7234 15.03298 532.1595       112.2557 93.21483       530.8060 552.7103       114.8535 85.32229 40.31921 132.1978 15.08348 -46.87550      43.04823 
1 1 1 -13 27 35 o 122.2915 16.16048 481.1965       113.0705 1380.340       522.3057 436.9862       115.8170 151.3318 50.33213 115.5059 17.65674 35.82586       53.33933 
1 1 1 -13 27 36 o 84.37073 22.11560 252.1450       110.7418 163.8630       485.0367 257.0001       113.7462 83.13409 39.05488 84.96754 22.48124 -1.833443      45.06318 
1 1 1 -13 27 37 o 154.3697 13.77383 750.6487       123.3917 913.2060       558.7682 742.3152       126.5151 111.6931 47.83624 153.1389 14.25013 -41.44585      49.91364 
1 1 1 -13 27 38 o 79.47038 24.14017 234.0262       122.4085 -383.6545      469.7387 279.0265       126.7890 66.00614 32.66790 86.77576 24.07099 -20.76962      40.57837 
1 1 1 -13 27 39 o 149.9989 16.49744 735.7358       142.7362 -114.3336      500.1161 811.1202       148.9307 72.83731 35.57362 157.7023 16.33903 -84.86504      39.14647 
1 1 1 -13 27 40 o 80.92831 25.26208 251.6562       132.9483 123.9866       444.8163 264.1799       139.3166 76.70103 36.43920 82.43192 25.87895 -5.730881      44.69379 
1 1 1 -13 28 1  o 382.2851 9.124905 4303.738       204.5814 3895.173       429.5041 4423.636       232.6714 360.0907 20.42155 387.2238 10.25446 -27.13312      22.85156 
1 1 1 -13 28 2  o 243.7154 10.23731 1754.180       145.9994 0.000000       0.000000 1754.180       145.9994 ?        ?        243.7154 10.23731 0.000000       10.23731 
1 1 1 -13 28 3  o 351.2522 8.662743 3631.971       178.4535 4612.840       488.2750 3480.754       191.7164 391.4888 21.34720 343.5939 9.523187 47.89493       23.37507 
1 1 1 -13 28 4  o 144.8101 12.76087 624.8140       107.2675 1120.995       439.5974 593.3998       110.6111 184.2208 41.66693 140.9500 13.54747 43.27072       43.81400 
1 1 1 -13 28 5  o 266.0422 9.057545 2086.866       141.1165 2122.495       454.1072 2083.058       148.4671 261.3513 30.18048 265.7196 9.542497 -4.368286      31.65313 
1 1 1 -13 28 6  f 162.1148 11.88448 780.5599       112.2083 1668.659       468.3030 726.4677       115.5749 228.4820 36.14962 156.2176 12.72501 72.26447       38.32389 
1 1 1 -13 28 7  o 136.2966 14.41959 556.8361       113.5168 0.000000       0.000000 556.8361       113.5168 ?        ?        136.2966 14.41959 0.000000       14.41959 
1 1 1 -13 28 8  o 153.9133 12.82750 705.7499       114.7377 0.000000       0.000000 705.7499       114.7377 ?        ?        153.9133 12.82750 0.000000       12.82750 
1 1 1 -13 28 9  o 186.9703 10.33883 1034.486       112.9277 0.000000       0.000000 1034.486       112.9277 ?        ?        186.9703 10.33883 0.000000       10.33883 
1 1 1 -13 28 10 o 135.5728 18.52246 559.4500       143.4254 0.000000       0.000000 559.4500       143.4254 ?        ?        135.5728 18.52246 0.000000       18.52246 
1 1 1 -13 28 11 o 239.9469 9.252938 1699.684       129.9663 0.000000       0.000000 1699.684       129.9663 ?        ?        239.9469 9.252938 0.000000       9.252938 
1 1 1 -13 28 12 o 173.3991 15.81740 902.7713       159.0850 0.000000       0.000000 902.7713       159.0850 ?        ?        173.3991 15.81740 0.000000       15.81740 
1 1 1 -13 28 13 o 258.3726 9.689145 1972.525       146.5590 0.000000       0.000000 1972.525       146.5590 ?        ?        258.3726 9.689145 0.000000       9.689145 
1 1 1 -13 28 14 o 413.4371 23.26178 5219.031       561.7560 0.000000       0.000000 5219.031       561.7560 ?        ?        413.4371 23.26178 0.000000       23.26178 
1 1 1 -13 28 15 o 422.9688 9.382524 5280.842       232.7440 0.000000       0.000000 5280.842       232.7440 ?        ?        422.9688 9.382524 0.000000       9.382524 
1 1 1 -13 28 16 o 251.7474 9.195521 1873.244       135.5382 0.000000       0.000000 1873.244       135.5382 ?        ?        251.7474 9.195521 0.000000       9.195521 
1 1 1 -13 28 17 o 110.2205 16.64492 371.9102       104.2458 0.000000       0.000000 371.9102       104.2458 ?        ?        110.2205 16.64492 0.000000       16.64492 
1 1 1 -13 28 18 o 50.65375 20.99526 25.10889       102.1320 0.000000       0.000000 25.10889       102.1320 ?        ?        50.65375 20.99526 0.000000       20.99526 
1 1 1 -13 28 19 o 255.5867 9.569964 1933.962       143.1961 0.000000       0.000000 1933.962       143.1961 ?        ?        255.5867 9.569964 0.000000       9.569964 
1 1 1 -13 28 20 o 90.24942 20.81511 257.9168       107.9251 0.000000       0.000000 257.9168       107.9251 ?        ?        90.24942 20.81511 0.000000       20.81511 
1 1 1 -13 28 21 o 272.2274 9.621965 2196.509       153.3778 0.000000       0.000000 2196.509       153.3778 ?        ?        272.2274 9.621965 0.000000       9.621965 
1 1 1 -13 28 22 o 234.4589 10.03655 1633.092       137.6879 0.000000       0.000000 1633.092       137.6879 ?        ?        234.4589 10.03655 0.000000       10.03655 
1 1 1 -13 28 23 o 171.9289 17.81858 909.5083       177.0671 0.000000       0.000000 909.5083       177.0671 ?        ?        171.9289 17.81858 0.000000       17.81858 
1 1 1 -13 28 24 o 300.7084 9.233435 2686.363       162.6464 0.000000       0.000000 2686.363       162.6464 ?        ?        300.7084 9.233435 0.000000       9.233435 
1 1 1 -13 28 25 o 116.1805 15.95070 418.6141       105.8175 0.000000       0.000000 418.6141       105.8175 ?        ?        116.1805 15.95070 0.000000       15.95070 
1 1 1 -13 28 26 o 238.6736 9.657932 1701.036       134.9091 0.000000       0.000000 1701.036       134.9091 ?        ?        238.6736 9.657932 0.000000       9.657932 
1 1 1 -13 28 27 o 101.5603 17.77555 328.6230       102.0211 0.000000       0.000000 328.6230       102.0211 ?        ?        101.5603 17.77555 0.000000       17.77555 
1 1 1 -13 28 28 o 153.0225 12.81034 714.6379       113.9111 0.000000       0.000000 714.6379       113.9111 ?        ?        153.0225 12.81034 0.000000       12.81034 
1 1 1 -13 28 29 o 59.20326 22.38480 94.43062       106.4288 0.000000       0.000000 94.43062       106.4288 ?        ?        59.20326 22.38480 0.000000       22.38480 
1 1 1 -13 28 30 o 67.63963 23.23915 147.3191       111.3747 0.000000       0.000000 147.3191       111.3747 ?        ?        67.63963 23.23915 0.000000       23.23915 
1 1 1 -13 28 31 o 67.79010 23.35632 150.3915       112.5258 0.000000       0.000000 150.3915       112.5258 ?        ?        67.79010 23.35632 0.000000       23.35632 
1 1 1 -13 28 32 o 111.9051 18.15273 408.2846       115.0574 0.000000       0.000000 408.2846       115.0574 ?        ?        111.9051 18.15273 0.000000       18.15273 
1 1 1 -13 28 33 o 100.7858 26.54186 372.9920       159.0242 0.000000       0.000000 372.9920       159.0242 ?        ?        100.7858 26.54186 0.000000       26.54186 
1 1 1 -13 28 34 o 123.6183 16.43590 492.9510       116.2091 -16.63859      519.3313 519.8120       119.2325 80.12548 38.42208 127.0135 16.38797 -46.88799      41.77107 
1 1 1 -13 28 35 o 101.6356 20.96919 356.6434       120.8418 454.1925       529.6120 351.2859       124.1158 94.25352 43.04154 100.2966 21.72962 -6.043053      48.21567 
1 1 1 -13 28 36 o 224.0865 10.86195 1537.376       142.3241 1437.441       537.8139 1544.902       147.5857 146.6227 51.03365 224.2876 11.25587 -77.66486      52.26020 
1 1 1 -13 28 37 o 111.0144 19.89520 422.2614       124.7743 -201.8524      553.7413 455.6447       128.0679 73.77573 36.31534 115.6579 19.57835 -41.88216      41.25671 
1 1 1 -13 28 38 o 55.18367 23.25146 62.19173       128.3699 -403.3196      470.8716 99.56765       133.4238 65.18422 32.33932 59.89084 24.31558 5.293381       40.46084 
1 1 1 -13 28 39 o 114.7279 22.40227 472.2097       145.3240 -522.5978      477.9829 573.5338       152.5454 62.80206 31.38431 128.0208 21.04824 -65.21878      37.78893 
1 1 1 -13 29 1  o 263.2017 10.38057 2046.943       159.9219 0.000000       0.000000 2046.943       159.9219 ?        ?        263.2017 10.38057 0.000000       10.38057 
1 1 1 -13 29 2  o 282.2580 9.864971 2352.001       163.0513 0.000000       0.000000 2352.001       163.0513 ?        ?        282.2580 9.864971 0.000000       9.864971 
1 1 1 -13 29 3  o 249.0659 9.303887 1830.640       135.6642 2597.196       447.1186 1752.913       142.3761 290.7236 26.51509 243.5955 9.987102 47.12811       28.33359 
1 1 1 -13 29 4  o 198.2297 10.77431 1163.432       124.7881 441.0505       440.7464 1226.386       130.1120 123.6628 45.79659 203.5073 10.94175 -79.84446      47.08556 
1 1 1 -13 29 5  o 179.0403 10.55976 949.4042       110.3882 2246.283       477.2256 876.0916       113.4654 267.8198 30.95192 171.8336 11.32222 95.98613       32.95776 
1 1 1 -13 29 6  o 214.6696 10.13261 1362.639       127.2081 0.000000       0.000000 1362.639       127.2081 ?        ?        214.6696 10.13261 0.000000       10.13261 
1 1 1 -13 29 7  o 257.4743 12.81385 1968.250       192.8845 2662.811       531.6374 1862.964       206.9882 291.1382 31.64470 250.1307 14.16796 41.00746       34.67158 
1 1 1 -13 29 8  o 34.10698 16.22360 -110.5045      88.71902 295.0191       508.8522 -123.2183      90.09902 117.1081 47.50778 33.59782 16.08230 83.51024       50.15605 
1 1 1 -13 29 9  f 126.0289 14.16829 477.4742       102.9103 0.000000       0.000000 477.4742       102.9103 ?        ?        126.0289 14.16829 0.000000       14.16829 
1 1 1 -13 29 10 o 104.3939 44.50065 117.5548       479.4920 0.000000       0.000000 117.5548       479.4920 ?        ?        104.3939 44.50065 0.000000       44.50065 
1 1 1 -13 29 11 o 127.0759 47.75594 484.3654       482.7549 0.000000       0.000000 484.3654       482.7549 ?        ?        127.0759 47.75594 0.000000       47.75594 
1 1 1 -13 29 12 o 175.3510 15.93744 925.6284       162.1107 0.000000       0.000000 925.6284       162.1107 ?        ?        175.3510 15.93744 0.000000       15.93744 
1 1 1 -13 29 13 o 206.1803 35.52996 1394.591       414.1209 0.000000       0.000000 1394.591       414.1209 ?        ?        206.1803 35.52996 0.000000       35.52996 
1 1 1 -13 29 14 o 292.1967 9.730930 2525.285       166.5229 0.000000       0.000000 2525.285       166.5229 ?        ?        292.1967 9.730930 0.000000       9.730930 
1 1 1 -13 29 15 o 166.8592 12.02116 830.3433       116.8493 0.000000       0.000000 830.3433       116.8493 ?        ?        166.8592 12.02116 0.000000       12.02116 
1 1 1 -13 29 16 o 353.0094 12.67330 3709.384       261.9518 0.000000       0.000000 3709.384       261.9518 ?        ?        353.0094 12.67330 0.000000       12.67330 
1 1 1 -13 29 17 o 324.3335 9.854597 3114.273       187.2307 0.000000       0.000000 3114.273       187.2307 ?        ?        324.3335 9.854597 0.000000       9.854597 
1 1 1 -13 29 18 o 200.2310 11.75962 1194.897       137.4861 0.000000       0.000000 1194.897       137.4861 ?        ?        200.2310 11.75962 0.000000       11.75962 
1 1 1 -13 29 19 o 128.4270 15.54344 502.0837       114.6929 0.000000       0.000000 502.0837       114.6929 ?        ?        128.4270 15.54344 0.000000       15.54344 
1 1 1 -13 29 20 o 258.1917 9.861254 1978.372       149.0479 0.000000       0.000000 1978.372       149.0479 ?        ?        258.1917 9.861254 0.000000       9.861254 
1 1 1 -13 29 21 o 47.03889 20.18340 2.188836       99.81559 0.000000       0.000000 2.188836       99.81559 ?        ?        47.03889 20.18340 0.000000       20.18340 
1 1 1 -13 29 22 o 115.5014 16.97745 413.8679       111.5742 0.000000       0.000000 413.8679       111.5742 ?        ?        115.5014 16.97745 0.000000       16.97745 
1 1 1 -13 29 23 f 41.42842 18.98527 -61.71453      104.2463 0.000000       0.000000 -61.71453      104.2463 ?        ?        41.42842 18.98527 0.000000       18.98527 
1 1 1 -13 29 24 o 102.1110 17.73363 329.7514       102.3482 0.000000       0.000000 329.7514       102.3482 ?        ?        102.1110 17.73363 0.000000       17.73363 
1 1 1 -13 29 25 o 168.7721 13.36140 867.6889       131.1739 0.000000       0.000000 867.6889       131.1739 ?        ?        168.7721 13.36140 0.000000       13.36140 
1 1 1 -13 29 26 o 65.99512 22.18145 136.5833       101.4035 0.000000       0.000000 136.5833       101.4035 ?        ?        65.99512 22.18145 0.000000       22.18145 
1 1 1 -13 29 27 o 199.5900 10.23994 1197.126       119.4628 0.000000       0.000000 1197.126       119.4628 ?        ?        199.5900 10.23994 0.000000       10.23994 
1 1 1 -13 29 28 o 79.67657 21.75558 213.2511       104.4985 0.000000       0.000000 213.2511       104.4985 ?        ?        79.67657 21.75558 0.000000       21.75558 
1 1 1 -13 29 29 o 46.16061 20.22306 -3.507951      104.5526 0.000000       0.000000 -3.507951      104.5526 ?        ?        46.16061 20.22306 0.000000       20.22306 
1 1 1 -13 29 30 o 249.7885 9.813745 1879.644       143.4868 0.000000       0.000000 1879.644       143.4868 ?        ?        249.7885 9.813745 0.000000       9.813745 
1 1 1 -13 29 31 o 86.05700 22.81980 257.8245       117.0338 0.000000       0.000000 257.8245       117.0338 ?        ?        86.05700 22.81980 0.000000       22.81980 
1 1 1 -13 29 32 o 75.65431 24.01920 201.0586       119.7026 0.000000       0.000000 201.0586       119.7026 ?        ?        75.65431 24.01920 0.000000       24.01920 
1 1 1 -13 29 33 o 139.0312 15.44703 615.8837       123.8292 0.000000       0.000000 615.8837       123.8292 ?        ?        139.0312 15.44703 0.000000       15.44703 
1 1 1 -13 29 34 o 61.72934 23.23013 118.9199       114.3141 0.000000       0.000000 118.9199       114.3141 ?        ?        61.72934 23.23013 0.000000       23.23013 
1 1 1 -13 29 35 o 102.8488 20.75504 365.6861       120.8698 0.000000       0.000000 365.6861       120.8698 ?        ?        102.8488 20.75504 0.000000       20.75504 
1 1 1 -13 29 36 o 47.47477 21.28390 -10.38421      122.5904 -530.3712      531.0896 18.88081       125.9929 66.62359 33.26144 50.68880 22.20361 15.93479       39.99155 
1 1 1 -13 29 37 o 206.0271 12.26534 1321.379       147.5313 658.6587       523.2402 1378.615       153.7703 98.03950 43.96098 210.1896 12.53103 -112.1501      45.71208 
1 1 1 -13 29 38 o 44.52454 20.61296 -53.93837      127.3912 -132.7304      453.2888 -47.18154      132.7411 69.91634 34.08564 45.92393 21.18288 23.99241       40.13160 
1 1 1 -13 30 1  o 163.6897 13.65976 800.3960       129.9396 0.000000       0.000000 800.3960       129.9396 ?        ?        163.6897 13.65976 0.000000       13.65976 
1 1 1 -13 30 2  o 207.7370 10.27296 1277.092       124.7701 1975.640       380.5379 1192.949       132.0710 252.9580 26.02142 200.5707 11.27304 52.38730       28.35834 
1 1 1 -13 30 3  o 360.5513 8.913021 3831.675       188.4701 3727.054       433.8197 3856.015       209.2487 350.8546 21.18161 361.3497 9.883086 -10.49503      23.37383 
1 1 1 -13 30 4  o 184.9626 11.61573 1015.972       125.3668 0.000000       0.000000 1015.972       125.3668 ?        ?        184.9626 11.61573 0.000000       11.61573 
1 1 1 -13 30 5  o 254.4756 14.35564 1930.980       213.3803 0.000000       0.000000 1930.980       213.3803 ?        ?        254.4756 14.35564 0.000000       14.35564 
1 1 1 -13 30 6  o 279.6406 9.171461 2308.773       150.2109 3206.052       517.8705 2226.349       156.9586 321.2552 27.75862 274.4729 9.766247 46.78232       29.42653 
1 1 1 -13 30 7  o 123.1284 14.03871 456.3304       99.56718 1422.522       498.1630 416.1275       101.6175 204.5005 42.90715 117.2590 15.12871 87.24152       45.49617 
1 1 1 -13 30 8  o 224.5199 9.322415 1490.065       122.4864 2581.736       529.5705 1428.363       125.9003 284.7006 32.28582 219.7226 9.794781 64.97800       33.73887 
1 1 1 -13 30 9  o 145.0912 12.16042 628.3807       102.5251 684.5449       500.7992 625.9238       104.7436 141.6496 49.24956 144.7420 12.46023 -3.092361      50.80135 
1 1 1 -13 30 10 o 81.03445 26.60802 197.8775       146.1154 0.000000       0.000000 197.8775       146.1154 ?        ?        81.03445 26.60802 0.000000       26.60802 
1 1 1 -13 30 11 o 237.8442 14.18016 1691.031       196.9012 0.000000       0.000000 1691.031       196.9012 ?        ?        237.8442 14.18016 0.000000       14.18016 
1 1 1 -13 30 12 o 298.9183 9.187433 2640.742       160.8723 0.000000       0.000000 2640.742       160.8723 ?        ?        298.9183 9.187433 0.000000       9.187433 
1 1 1 -13 30 13 o 218.2995 9.990716 1412.108       127.5696 0.000000       0.000000 1412.108       127.5696 ?        ?        218.2995 9.990716 0.000000       9.990716 
1 1 1 -13 30 14 o 394.7561 9.357604 4604.562       216.6427 0.000000       0.000000 4604.562       216.6427 ?        ?        394.7561 9.357604 0.000000       9.357604 
1 1 1 -13 30 15 o 157.0564 12.65994 738.3376       115.6233 0.000000       0.000000 738.3376       115.6233 ?        ?        157.0564 12.65994 0.000000       12.65994 
1 1 1 -13 30 16 o 212.7919 10.96320 1346.386       136.3567 0.000000       0.000000 1346.386       136.3567 ?        ?        212.7919 10.96320 0.000000       10.96320 
1 1 1 -13 30 17 o 178.8810 12.47523 957.5174       130.0567 0.000000       0.000000 957.5174       130.0567 ?        ?        178.8810 12.47523 0.000000       12.47523 
1 1 1 -13 30 18 o 128.9450 16.28396 508.7633       120.4035 0.000000       0.000000 508.7633       120.4035 ?        ?        128.9450 16.28396 0.000000       16.28396 
1 1 1 -13 30 19 o 94.85802 27.20870 295.1015       159.2266 0.000000       0.000000 295.1015       159.2266 ?        ?        94.85802 27.20870 0.000000       27.20870 
1 1 1 -13 30 20 o 137.7732 14.63624 578.0032       116.4544 0.000000       0.000000 578.0032       116.4544 ?        ?        137.7732 14.63624 0.000000       14.63624 
1 1 1 -13 30 21 o 142.1900 13.89306 614.8760       114.3793 0.000000       0.000000 614.8760       114.3793 ?        ?        142.1900 13.89306 0.000000       13.89306 
1 1 1 -13 30 22 o 70.71976 22.21245 159.2236       102.6247 0.000000       0.000000 159.2236       102.6247 ?        ?        70.71976 22.21245 0.000000       22.21245 
1 1 1 -13 30 23 o 176.2175 11.32867 934.9777       116.4586 0.000000       0.000000 934.9777       116.4586 ?        ?        176.2175 11.32867 0.000000       11.32867 
1 1 1 -13 30 24 o 136.8911 14.26422 576.3047       112.8400 0.000000       0.000000 576.3047       112.8400 ?        ?        136.8911 14.26422 0.000000       14.26422 
1 1 1 -13 30 25 o 133.1904 14.54557 548.3223       111.7751 0.000000       0.000000 548.3223       111.7751 ?        ?        133.1904 14.54557 0.000000       14.54557 
1 1 1 -13 30 26 o 56.17625 21.79453 76.63710       102.6446 0.000000       0.000000 76.63710       102.6446 ?        ?        56.17625 21.79453 0.000000       21.79453 
1 1 1 -13 30 27 o 123.5363 15.92908 480.2536       112.7246 0.000000       0.000000 480.2536       112.7246 ?        ?        123.5363 15.92908 0.000000       15.92908 
1 1 1 -13 30 28 o 65.30084 23.13290 134.2393       110.8367 0.000000       0.000000 134.2393       110.8367 ?        ?        65.30084 23.13290 0.000000       23.13290 
1 1 1 -13 30 29 o 154.1145 13.61289 736.2626       121.7757 0.000000       0.000000 736.2626       121.7757 ?        ?        154.1145 13.61289 0.000000       13.61289 
1 1 1 -13 30 30 o 48.57720 20.99660 14.10183       109.5522 0.000000       0.000000 14.10183       109.5522 ?        ?        48.57720 20.99660 0.000000       20.99660 
1 1 1 -13 30 31 o 73.42436 24.08233 188.1164       119.7066 0.000000       0.000000 188.1164       119.7066 ?        ?        73.42436 24.08233 0.000000       24.08233 
1 1 1 -13 30 32 o 65.60231 24.13152 140.1794       122.0205 0.000000       0.000000 140.1794       122.0205 ?        ?        65.60231 24.13152 0.000000       24.13152 
1 1 1 -13 30 33 o 54.79796 22.72788 61.93762       119.7938 0.000000       0.000000 61.93762       119.7938 ?        ?        54.79796 22.72788 0.000000       22.72788 
1 1 1 -13 30 34 o 116.3825 19.52012 458.1757       128.5227 0.000000       0.000000 458.1757       128.5227 ?        ?        116.3825 19.52012 0.000000       19.52012 
1 1 1 -13 30 35 o 49.34497 21.71805 11.46036       121.8519 0.000000       0.000000 11.46036       121.8519 ?        ?        49.34497 21.71805 0.000000       21.71805 
1 1 1 -13 30 36 o 143.3958 17.68298 682.4512       145.5641 0.000000       0.000000 682.4512       145.5641 ?        ?        143.3958 17.68298 0.000000       17.68298 
1 1 1 -13 30 37 o 65.01984 24.92331 142.8492       133.0739 0.000000       0.000000 142.8492       133.0739 ?        ?        65.01984 24.92331 0.000000       24.92331 
1 1 1 -13 31 1  o 114.1440 40.60391 400.4887       341.7903 400.4887       341.7903 0.000000       0.000000 114.1440 40.60391 ?        ?        0.000000       40.60391 
1 1 1 -13 31 2  f 62.18972 23.18002 93.35632       113.2567 0.000000       0.000000 93.35632       113.2567 ?        ?        62.18972 23.18002 0.000000       23.18002 
1 1 1 -13 31 3  o 230.7980 9.799983 1576.092       132.3483 2048.911       384.7438 1512.635       140.9500 256.8178 25.89777 225.9079 10.66871 30.90991       28.00922 
1 1 1 -13 31 4  o 249.5524 10.39412 1844.308       151.7917 0.000000       0.000000 1844.308       151.7917 ?        ?        249.5524 10.39412 0.000000       10.39412 
1 1 1 -13 31 5  o 185.3229 12.14054 1022.755       131.2258 0.000000       0.000000 1022.755       131.2258 ?        ?        185.3229 12.14054 0.000000       12.14054 
1 1 1 -13 31 6  o 99.99886 22.93286 316.6118       131.6236 765.5463       449.8859 274.5868       137.6464 147.7334 46.52193 92.91149 24.79859 54.82194       52.71869 
1 1 1 -13 31 7  o 197.0647 10.75155 1152.592       123.7890 1538.479       511.9055 1128.625       127.5753 211.5744 42.72817 194.8975 11.20844 16.67685       44.17381 
1 1 1 -13 31 8  o 358.0931 8.563766 3782.693       179.8503 4402.396       566.7529 3713.300       189.6528 376.6315 25.81431 354.5350 9.128744 22.09653       27.38088 
1 1 1 -13 31 9  o 259.4950 9.146227 1990.774       138.9767 2197.487       504.0107 1973.763       144.5818 260.0777 33.84559 258.2853 9.561230 1.792419       35.17017 
1 1 1 -13 31 10 o 197.2964 10.51753 1155.383       121.2582 769.7599       491.6270 1180.362       125.1239 146.6658 48.83298 199.3723 10.74066 -52.70648      50.00022 
1 1 1 -13 31 11 o 127.6969 40.46016 555.0455       339.8065 860.3802       460.0980 188.6359       504.0175 154.4720 46.77626 107.7695 45.77068 46.70250       65.44443 
1 1 1 -13 31 12 o 118.3903 46.87635 394.9686       483.0758 0.000000       0.000000 394.9686       483.0758 ?        ?        118.3903 46.87635 0.000000       46.87635 
1 1 1 -13 31 13 o 393.9633 10.28777 4599.158       237.4958 0.000000       0.000000 4599.158       237.4958 ?        ?        393.9633 10.28777 0.000000       10.28777 
1 1 1 -13 31 14 o 193.7369 11.40651 1118.361       129.0297 0.000000       0.000000 1118.361       129.0297 ?        ?        193.7369 11.40651 0.000000       11.40651 
1 1 1 -13 31 15 o 388.5774 10.37874 4480.246       236.3109 0.000000       0.000000 4480.246       236.3109 ?        ?        388.5774 10.37874 0.000000       10.37874 
1 1 1 -13 31 16 o 202.3453 15.21819 1237.696       179.2720 0.000000       0.000000 1237.696       179.2720 ?        ?        202.3453 15.21819 0.000000       15.21819 
1 1 1 -13 31 17 o 176.2535 12.71724 932.8924       130.5723 0.000000       0.000000 932.8924       130.5723 ?        ?        176.2535 12.71724 0.000000       12.71724 
1 1 1 -13 31 18 f 199.2511 11.27588 1187.110       131.2278 0.000000       0.000000 1187.110       131.2278 ?        ?        199.2511 11.27588 0.000000       11.27588 
1 1 1 -13 31 19 o 180.1546 12.12997 976.1049       127.4139 0.000000       0.000000 976.1049       127.4139 ?        ?        180.1546 12.12997 0.000000       12.12997 
1 1 1 -13 31 20 o 56.22064 22.18474 66.10037       107.8609 0.000000       0.000000 66.10037       107.8609 ?        ?        56.22064 22.18474 0.000000       22.18474 
1 1 1 -13 31 21 o 60.88892 29.35063 -344.1430      312.3243 0.000000       0.000000 -344.1430      312.3243 ?        ?        60.88892 29.35063 0.000000       29.35063 
1 1 1 -13 31 22 o 167.0901 12.02372 844.8057       117.0379 0.000000       0.000000 844.8057       117.0379 ?        ?        167.0901 12.02372 0.000000       12.02372 
1 1 1 -13 31 23 o 132.6346 24.67616 590.8345       184.8861 0.000000       0.000000 590.8345       184.8861 ?        ?        132.6346 24.67616 0.000000       24.67616 
1 1 1 -13 31 24 o 105.1897 18.54438 356.0296       110.2236 0.000000       0.000000 356.0296       110.2236 ?        ?        105.1897 18.54438 0.000000       18.54438 
1 1 1 -13 31 25 o 96.89515 19.70554 307.6701       108.1623 0.000000       0.000000 307.6701       108.1623 ?        ?        96.89515 19.70554 0.000000       19.70554 
1 1 1 -13 31 26 o 215.5442 10.25221 1399.740       129.2283 0.000000       0.000000 1399.740       129.2283 ?        ?        215.5442 10.25221 0.000000       10.25221 
1 1 1 -13 31 27 o 81.89091 22.12741 229.5952       108.7707 0.000000       0.000000 229.5952       108.7707 ?        ?        81.89091 22.12741 0.000000       22.12741 
1 1 1 -13 31 28 o 128.5250 15.75610 523.3883       116.2832 0.000000       0.000000 523.3883       116.2832 ?        ?        128.5250 15.75610 0.000000       15.75610 
1 1 1 -13 31 29 o 94.20567 21.32668 303.4945       115.0761 0.000000       0.000000 303.4945       115.0761 ?        ?        94.20567 21.32668 0.000000       21.32668 
1 1 1 -13 31 30 o 73.67276 24.02009 190.3145       119.1709 0.000000       0.000000 190.3145       119.1709 ?        ?        73.67276 24.02009 0.000000       24.02009 
1 1 1 -13 31 31 f 141.5700 15.97412 642.5635       130.3158 0.000000       0.000000 642.5635       130.3158 ?        ?        141.5700 15.97412 0.000000       15.97412 
1 1 1 -13 31 32 f 42.71369 19.94872 -76.79771      123.4576 0.000000       0.000000 -76.79771      123.4576 ?        ?        42.71369 19.94872 0.000000       19.94872 
1 1 1 -13 31 33 o 42.26526 19.84884 -86.42080      125.1028 0.000000       0.000000 -86.42080      125.1028 ?        ?        42.26526 19.84884 0.000000       19.84884 
1 1 1 -13 31 34 o 147.6441 16.51572 710.7125       140.5619 0.000000       0.000000 710.7125       140.5619 ?        ?        147.6441 16.51572 0.000000       16.51572 
1 1 1 -13 31 35 o 95.40304 25.06974 343.6774       142.0728 0.000000       0.000000 343.6774       142.0728 ?        ?        95.40304 25.06974 0.000000       25.06974 
1 1 1 -13 31 36 o 41.73493 19.83312 -108.5965      131.9593 0.000000       0.000000 -108.5965      131.9593 ?        ?        41.73493 19.83312 0.000000       19.83312 
1 1 1 -13 32 1  o 266.8956 10.93769 2112.929       170.8428 0.000000       0.000000 2112.929       170.8428 ?        ?        266.8956 10.93769 0.000000       10.93769 
1 1 1 -13 32 2  o 194.4093 35.19811 1248.504       386.5452 1248.504       386.5452 0.000000       0.000000 194.4093 35.19811 ?        ?        0.000000       35.19811 
1 1 1 -13 32 3  o 259.3172 9.498442 1989.362       144.2115 3270.352       403.4319 1801.699       154.4139 327.2960 21.13032 246.4696 10.70805 80.82643       23.68866 
1 1 1 -13 32 4  o 237.9139 10.29870 1677.699       143.3583 0.000000       0.000000 1677.699       143.3583 ?        ?        237.9139 10.29870 0.000000       10.29870 
1 1 1 -13 32 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 32 6  o 120.0527 15.64692 438.3091       107.5480 44.25393       406.3228 467.9959       111.5256 92.39513 40.18327 124.1056 15.67136 -31.71050      43.13104 
1 1 1 -13 32 7  o 246.3350 9.503608 1796.093       137.0407 1721.128       448.5996 1803.809       143.9206 228.8754 34.49052 246.7503 9.965729 -17.87497      35.90142 
1 1 1 -13 32 8  o 45.45459 19.90314 -17.40891      101.1509 480.9431       472.4308 -41.35194      103.5523 123.8350 47.08354 43.61395 19.55662 80.22105       50.98354 
1 1 1 -13 32 9  o 55.28636 24.20101 -19.40548      149.4547 -86.92029      429.6422 -10.11115      159.4104 87.65599 39.52489 57.90234 25.17576 29.75365       46.86188 
1 1 1 -13 32 10 o 138.9256 20.43887 599.1824       161.5561 650.4896       444.5138 591.3737       173.4149 135.5840 46.43193 137.3051 22.29962 -1.721039      51.50919 
1 1 1 -13 32 11 o 180.2896 11.58274 969.5737       121.8229 0.000000       0.000000 969.5737       121.8229 ?        ?        180.2896 11.58274 0.000000       11.58274 
1 1 1 -13 32 12 o 224.5179 10.02289 1496.367       131.6431 2653.633       479.2778 1401.935       136.9088 287.6942 28.79214 217.0935 10.78689 70.60077       30.74646 
1 1 1 -13 32 13 o 151.4180 13.66803 691.1415       120.0709 0.000000       0.000000 691.1415       120.0709 ?        ?        151.4180 13.66803 0.000000       13.66803 
1 1 1 -13 32 14 o 272.0156 9.894334 2196.907       157.5820 0.000000       0.000000 2196.907       157.5820 ?        ?        272.0156 9.894334 0.000000       9.894334 
1 1 1 -13 32 15 o 216.1977 11.12084 1395.030       140.5327 0.000000       0.000000 1395.030       140.5327 ?        ?        216.1977 11.12084 0.000000       11.12084 
1 1 1 -13 32 16 o 273.5406 12.95718 2248.417       207.2748 0.000000       0.000000 2248.417       207.2748 ?        ?        273.5406 12.95718 0.000000       12.95718 
1 1 1 -13 32 17 o 230.1674 10.60059 1582.388       142.7107 0.000000       0.000000 1582.388       142.7107 ?        ?        230.1674 10.60059 0.000000       10.60059 
1 1 1 -13 32 18 o 156.3077 13.13938 740.9210       119.3357 0.000000       0.000000 740.9210       119.3357 ?        ?        156.3077 13.13938 0.000000       13.13938 
1 1 1 -13 32 19 o 85.70017 21.55542 241.1483       108.2227 0.000000       0.000000 241.1483       108.2227 ?        ?        85.70017 21.55542 0.000000       21.55542 
1 1 1 -13 32 20 o 69.70147 22.75503 154.7869       106.9314 0.000000       0.000000 154.7869       106.9314 ?        ?        69.70147 22.75503 0.000000       22.75503 
1 1 1 -13 32 21 o 101.7726 18.81964 333.1374       108.1927 0.000000       0.000000 333.1374       108.1927 ?        ?        101.7726 18.81964 0.000000       18.81964 
1 1 1 -13 32 22 o 87.33851 29.73652 264.2793       182.2682 0.000000       0.000000 264.2793       182.2682 ?        ?        87.33851 29.73652 0.000000       29.73652 
1 1 1 -13 32 23 o 66.92900 31.50400 -164.5335      318.3598 0.000000       0.000000 -164.5335      318.3598 ?        ?        66.92900 31.50400 0.000000       31.50400 
1 1 1 -13 32 24 o 115.0566 17.60260 423.4908       115.0082 0.000000       0.000000 423.4908       115.0082 ?        ?        115.0566 17.60260 0.000000       17.60260 
1 1 1 -13 32 25 o 140.1309 14.53625 611.6985       117.7306 0.000000       0.000000 611.6985       117.7306 ?        ?        140.1309 14.53625 0.000000       14.53625 
1 1 1 -13 32 26 o 66.03082 23.58281 138.7657       115.4077 0.000000       0.000000 138.7657       115.4077 ?        ?        66.03082 23.58281 0.000000       23.58281 
1 1 1 -13 32 27 o 68.26532 23.60204 154.3007       114.9431 0.000000       0.000000 154.3007       114.9431 ?        ?        68.26532 23.60204 0.000000       23.60204 
1 1 1 -13 32 28 o 145.4505 14.93714 666.7511       125.6100 0.000000       0.000000 666.7511       125.6100 ?        ?        145.4505 14.93714 0.000000       14.93714 
1 1 1 -13 32 29 o 71.95779 24.15679 180.5670       120.2710 0.000000       0.000000 180.5670       120.2710 ?        ?        71.95779 24.15679 0.000000       24.15679 
1 1 1 -13 32 30 o 87.53851 23.72649 276.0049       124.8298 0.000000       0.000000 276.0049       124.8298 ?        ?        87.53851 23.72649 0.000000       23.72649 
1 1 1 -13 32 31 o 52.32008 22.47743 34.70847       124.0842 0.000000       0.000000 34.70847       124.0842 ?        ?        52.32008 22.47743 0.000000       22.47743 
1 1 1 -13 32 32 o 46.25724 21.06165 -33.03567      125.6260 0.000000       0.000000 -33.03567      125.6260 ?        ?        46.25724 21.06165 0.000000       21.06165 
1 1 1 -13 32 33 o 52.12344 23.00694 17.00584       137.6691 0.000000       0.000000 17.00584       137.6691 ?        ?        52.12344 23.00694 0.000000       23.00694 
1 1 1 -13 32 34 o 85.95103 26.03969 285.3054       142.5602 0.000000       0.000000 285.3054       142.5602 ?        ?        85.95103 26.03969 0.000000       26.03969 
1 1 1 -13 32 35 o 59.69454 24.33182 99.47546       134.2287 0.000000       0.000000 99.47546       134.2287 ?        ?        59.69454 24.33182 0.000000       24.33182 
1 1 1 -13 33 1  o 375.6831 9.529688 4175.838       209.7974 3777.189       399.9605 4327.162       246.4196 352.3621 19.42951 381.8657 11.01459 -29.50360      22.33443 
1 1 1 -13 33 2  o 181.5171 13.98347 989.0853       147.7150 0.000000       0.000000 989.0853       147.7150 ?        ?        181.5171 13.98347 0.000000       13.98347 
1 1 1 -13 33 3  o 326.7438 21.49098 3277.404       409.5399 3277.404       409.5399 0.000000       0.000000 326.7438 21.49098 ?        ?        0.000000       21.49098 
1 1 1 -13 33 4  o 304.5995 10.37154 2751.374       185.0074 0.000000       0.000000 2751.374       185.0074 ?        ?        304.5995 10.37154 0.000000       10.37154 
1 1 1 -13 33 5  f 175.7955 17.66226 941.7736       179.6329 0.000000       0.000000 941.7736       179.6329 ?        ?        175.7955 17.66226 0.000000       17.66226 
1 1 1 -13 33 6  o 220.8519 15.05720 1468.363       193.8611 962.4988       374.8871 1653.015       226.4961 166.4177 39.08137 233.7337 16.63165 -67.31599      42.47311 
1 1 1 -13 33 7  o 182.5775 15.17578 1006.490       161.0306 1028.704       379.4816 1001.611       177.8359 172.3011 38.52215 181.5112 16.89991 -9.210068      42.06617 
1 1 1 -13 33 8  o 214.7186 13.05971 1380.603       163.6798 1854.753       463.8934 1313.180       174.9307 235.7665 34.57655 208.9362 14.36323 26.83025       37.44115 
1 1 1 -13 33 9  o 155.3889 12.85339 725.1951       116.0885 1149.099       450.2364 695.0065       120.1511 177.7860 43.53477 151.8738 13.63440 25.91223       45.61988 
1 1 1 -13 33 10 o 39.39204 18.30273 -82.88621      101.8188 -1117.282      466.0511 -31.04017      104.3393 61.20604 30.64647 44.60254 19.83991 16.60351       36.50792 
1 1 1 -13 33 11 o 170.3252 17.76035 890.2446       174.8078 270.3573       449.2226 1000.861       189.7648 105.8462 43.96600 180.5097 18.17227 -74.66355      47.57353 
1 1 1 -13 33 12 o 86.67048 21.85651 241.8790       111.0595 -672.0219      433.4339 306.0971       114.8952 66.61507 32.65686 97.97747 20.64747 -31.36240      38.63663 
1 1 1 -13 33 13 o 121.9541 38.21151 535.3242       303.8864 450.0167       430.7520 619.8506       428.7754 115.0884 44.64801 128.0482 45.48552 -12.95979      63.73679 
1 1 1 -13 33 14 o 139.8153 14.68890 596.7285       118.6499 0.000000       0.000000 596.7285       118.6499 ?        ?        139.8153 14.68890 0.000000       14.68890 
1 1 1 -13 33 15 o 205.1734 11.16157 1261.430       133.8006 0.000000       0.000000 1261.430       133.8006 ?        ?        205.1734 11.16157 0.000000       11.16157 
1 1 1 -13 33 16 o 57.09869 22.37712 71.72849       109.0857 0.000000       0.000000 71.72849       109.0857 ?        ?        57.09869 22.37712 0.000000       22.37712 
1 1 1 -13 33 17 o 171.4337 12.58880 890.2303       125.6875 0.000000       0.000000 890.2303       125.6875 ?        ?        171.4337 12.58880 0.000000       12.58880 
1 1 1 -13 33 18 o 104.9086 19.13471 353.3199       113.3926 0.000000       0.000000 353.3199       113.3926 ?        ?        104.9086 19.13471 0.000000       19.13471 
1 1 1 -13 33 19 o 120.7377 16.34439 456.6517       112.7649 0.000000       0.000000 456.6517       112.7649 ?        ?        120.7377 16.34439 0.000000       16.34439 
1 1 1 -13 33 20 o 138.3914 14.78063 592.6719       118.1094 0.000000       0.000000 592.6719       118.1094 ?        ?        138.3914 14.78063 0.000000       14.78063 
1 1 1 -13 33 21 o 70.37534 22.79653 161.5169       107.4348 0.000000       0.000000 161.5169       107.4348 ?        ?        70.37534 22.79653 0.000000       22.79653 
1 1 1 -13 33 22 o 84.67606 21.58639 240.9542       107.5063 0.000000       0.000000 240.9542       107.5063 ?        ?        84.67606 21.58639 0.000000       21.58639 
1 1 1 -13 33 23 o 137.5363 14.64990 589.2648       116.3522 0.000000       0.000000 589.2648       116.3522 ?        ?        137.5363 14.64990 0.000000       14.64990 
1 1 1 -13 33 24 o 59.41726 22.40985 99.65783       106.5153 0.000000       0.000000 99.65783       106.5153 ?        ?        59.41726 22.40985 0.000000       22.40985 
1 1 1 -13 33 25 o 267.4482 9.918054 2156.829       155.2972 0.000000       0.000000 2156.829       155.2972 ?        ?        267.4482 9.918054 0.000000       9.918054 
1 1 1 -13 33 26 o 112.9069 28.08866 473.0089       185.2339 0.000000       0.000000 473.0089       185.2339 ?        ?        112.9069 28.08866 0.000000       28.08866 
1 1 1 -13 33 27 o 58.09449 23.01146 87.00169       116.4543 0.000000       0.000000 87.00169       116.4543 ?        ?        58.09449 23.01146 0.000000       23.01146 
1 1 1 -13 33 28 o 82.16055 23.57190 241.4939       119.4930 0.000000       0.000000 241.4939       119.4930 ?        ?        82.16055 23.57190 0.000000       23.57190 
1 1 1 -13 33 29 o 60.73561 23.77748 106.3574       123.0579 0.000000       0.000000 106.3574       123.0579 ?        ?        60.73561 23.77748 0.000000       23.77748 
1 1 1 -13 33 30 o 160.9122 14.76587 822.5655       137.7951 0.000000       0.000000 822.5655       137.7951 ?        ?        160.9122 14.76587 0.000000       14.76587 
1 1 1 -13 33 31 o 47.37206 21.35970 -18.42016      125.4613 0.000000       0.000000 -18.42016      125.4613 ?        ?        47.37206 21.35970 0.000000       21.35970 
1 1 1 -13 33 32 o 62.26782 24.64885 118.3554       133.5376 0.000000       0.000000 118.3554       133.5376 ?        ?        62.26782 24.64885 0.000000       24.64885 
1 1 1 -13 33 33 o 40.46999 19.59209 -170.0186      142.9017 0.000000       0.000000 -170.0186      142.9017 ?        ?        40.46999 19.59209 0.000000       19.59209 
1 1 1 -13 33 34 o 40.86340 19.74264 -160.4696      143.2852 0.000000       0.000000 -160.4696      143.2852 ?        ?        40.86340 19.74264 0.000000       19.74264 
1 1 1 -13 34 1  o 70.75453 25.15499 141.4196       131.1644 0.000000       0.000000 141.4196       131.1644 ?        ?        70.75453 25.15499 0.000000       25.15499 
1 1 1 -13 34 2  o 313.9380 11.16535 2932.907       205.2461 0.000000       0.000000 2932.907       205.2461 ?        ?        313.9380 11.16535 0.000000       11.16535 
1 1 1 -13 34 3  o 153.1210 15.61057 712.6038       138.2271 0.000000       0.000000 712.6038       138.2271 ?        ?        153.1210 15.61057 0.000000       15.61057 
1 1 1 -13 34 4  o 234.8469 14.65496 1661.954       200.8400 1402.702       365.3237 1774.249       240.4338 206.2680 31.17063 241.5344 17.08352 -35.26642      35.54511 
1 1 1 -13 34 5  o 139.5743 15.10952 592.2997       121.7122 965.5802       373.5867 547.9744       128.7360 164.9769 39.19491 133.6331 16.79627 31.34381       42.64218 
1 1 1 -13 34 6  o 248.4552 9.877765 1833.471       143.6451 1996.902       370.0274 1804.472       155.8693 250.6369 25.52919 246.1662 10.82292 4.470718       27.72860 
1 1 1 -13 34 7  o 247.2048 9.745680 1815.175       141.0158 2555.923       380.5292 1697.255       151.8256 285.6048 22.91010 238.6522 10.87607 46.95267       25.36063 
1 1 1 -13 34 8  o 67.07065 22.63319 134.3460       105.5728 54.13573       377.0829 141.1680       109.9707 87.53262 38.37547 68.57272 23.09974 18.95990       44.79145 
1 1 1 -13 34 9  o 173.1732 12.10956 900.4543       122.2121 217.1192       388.9747 975.2984       128.7310 97.62424 40.75969 180.2087 12.25315 -82.58450      42.56163 
1 1 1 -13 34 10 o 89.58143 20.48230 257.8837       105.2598 42.64702       417.2913 272.5093       108.7773 89.30752 39.70391 92.07597 20.65369 -2.768448      44.75462 
1 1 1 -13 34 11 o 264.9323 9.426078 2087.511       146.2257 2075.151       445.0790 2089.006       154.8197 247.6943 31.33906 264.8000 9.987036 -17.10576      32.89190 
1 1 1 -13 34 12 o 53.62357 21.43117 53.91333       101.8896 -552.0140      420.6929 91.67080       105.0162 67.16382 32.76430 59.61051 22.30034 7.553310       39.63338 
1 1 1 -13 34 13 o 149.6420 13.40899 680.8707       116.4332 -18.57565      414.9280 740.6543       121.3072 84.49541 38.39588 156.1316 13.37662 -71.63615      40.65929 
1 1 1 -13 34 14 o 208.5522 10.24340 1301.549       124.9047 1229.354       444.4568 1307.740       130.1497 175.3390 43.44540 208.8755 10.65967 -33.53656      44.73400 
1 1 1 -13 34 15 o 220.1387 10.57887 1453.142       136.1800 0.000000       0.000000 1453.142       136.1800 ?        ?        220.1387 10.57887 0.000000       10.57887 
1 1 1 -13 34 16 o 95.90646 20.39239 300.1334       111.1667 0.000000       0.000000 300.1334       111.1667 ?        ?        95.90646 20.39239 0.000000       20.39239 
1 1 1 -13 34 17 o 131.0355 15.11138 532.3497       114.0052 0.000000       0.000000 532.3497       114.0052 ?        ?        131.0355 15.11138 0.000000       15.11138 
1 1 1 -13 34 18 o 52.56010 21.29608 50.68250       102.1051 0.000000       0.000000 50.68250       102.1051 ?        ?        52.56010 21.29608 0.000000       21.29608 
1 1 1 -13 34 19 o 58.44678 22.22429 89.69473       105.2644 0.000000       0.000000 89.69473       105.2644 ?        ?        58.44678 22.22429 0.000000       22.22429 
1 1 1 -13 34 20 o 61.14906 22.96811 104.2851       111.6348 0.000000       0.000000 104.2851       111.6348 ?        ?        61.14906 22.96811 0.000000       22.96811 
1 1 1 -13 34 21 o 44.39621 20.13682 -41.81952      113.4779 0.000000       0.000000 -41.81952      113.4779 ?        ?        44.39621 20.13682 0.000000       20.13682 
1 1 1 -13 34 22 o 65.04234 23.45242 131.8257       114.4361 0.000000       0.000000 131.8257       114.4361 ?        ?        65.04234 23.45242 0.000000       23.45242 
1 1 1 -13 34 23 o 63.54315 23.17269 124.3945       112.1416 0.000000       0.000000 124.3945       112.1416 ?        ?        63.54315 23.17269 0.000000       23.17269 
1 1 1 -13 34 24 o 246.9058 10.46952 1846.064       151.2592 0.000000       0.000000 1846.064       151.2592 ?        ?        246.9058 10.46952 0.000000       10.46952 
1 1 1 -13 34 25 o 100.0199 20.73803 339.3029       117.6516 0.000000       0.000000 339.3029       117.6516 ?        ?        100.0199 20.73803 0.000000       20.73803 
1 1 1 -13 34 26 o 46.27585 20.88810 -27.35333      120.3596 0.000000       0.000000 -27.35333      120.3596 ?        ?        46.27585 20.88810 0.000000       20.88810 
1 1 1 -13 34 27 o 196.8170 12.41177 1197.321       142.5377 0.000000       0.000000 1197.321       142.5377 ?        ?        196.8170 12.41177 0.000000       12.41177 
1 1 1 -13 34 28 o 62.31824 28.87160 -32.96064      250.5967 0.000000       0.000000 -32.96064      250.5967 ?        ?        62.31824 28.87160 0.000000       28.87160 
1 1 1 -13 34 29 o 125.4835 19.66996 532.3191       140.0038 0.000000       0.000000 532.3191       140.0038 ?        ?        125.4835 19.66996 0.000000       19.66996 
1 1 1 -13 34 30 o 57.98413 24.11703 78.15499       135.4227 0.000000       0.000000 78.15499       135.4227 ?        ?        57.98413 24.11703 0.000000       24.11703 
1 1 1 -13 34 31 o 55.57802 24.11374 45.00629       145.6023 0.000000       0.000000 45.00629       145.6023 ?        ?        55.57802 24.11374 0.000000       24.11374 
1 1 1 -13 34 32 o 39.52607 19.28511 -201.3239      145.9240 0.000000       0.000000 -201.3239      145.9240 ?        ?        39.52607 19.28511 0.000000       19.28511 
1 1 1 -13 35 1  o 345.5071 11.78677 3570.450       238.4877 4454.349       443.4727 3210.822       282.8735 379.1276 20.01577 325.7548 14.84547 53.37283       24.92026 
1 1 1 -13 35 2  o 273.5674 11.15951 2235.408       178.6682 0.000000       0.000000 2235.408       178.6682 ?        ?        273.5674 11.15951 0.000000       11.15951 
1 1 1 -13 35 3  o 332.0210 11.88104 3299.617       230.9776 3793.020       393.2748 3039.799       285.3846 350.3766 19.21214 316.4676 15.42270 33.90906       24.63668 
1 1 1 -13 35 4  o 252.9275 12.50227 1921.486       184.8788 1778.870       334.8797 1984.010       221.7320 235.5232 24.60665 255.7882 14.84456 -20.26501      28.73757 
1 1 1 -13 35 5  o 196.7064 11.90656 1161.711       136.7153 0.000000       0.000000 1161.711       136.7153 ?        ?        196.7064 11.90656 0.000000       11.90656 
1 1 1 -13 35 6  o 280.9766 9.605752 2349.104       158.0567 2961.328       417.5923 2246.732       170.7608 304.9125 23.53414 274.3305 10.63376 30.58206       25.82504 
1 1 1 -13 35 7  o 264.8940 9.686666 2089.490       150.2329 3147.048       421.7507 1935.798       160.7792 314.5863 23.01877 254.4810 10.79722 60.10532       25.42526 
1 1 1 -13 35 8  o 51.71349 21.25280 37.74912       103.4641 401.0677       362.0184 5.433572       107.9674 107.3973 41.12277 48.74588 20.95477 58.65145       46.15393 
1 1 1 -13 35 9  o 125.4342 15.44041 485.6047       111.1919 394.0127       377.1561 494.3234       116.3638 106.5884 41.65645 126.3145 16.07114 -19.72610      44.64909 
1 1 1 -13 35 10 o 108.4112 17.78268 370.9498       109.1468 -261.3778      384.7034 426.3050       113.8240 71.78216 34.03999 116.6449 17.15024 -44.86272      38.11629 
1 1 1 -13 35 11 f 133.0261 14.82122 544.8107       113.6687 455.9604       389.6744 553.0741       118.8370 110.2309 42.54631 133.7823 15.42843 -23.55138      45.25732 
1 1 1 -13 35 12 o 130.8836 15.03684 529.0266       113.3288 -309.3605      375.9063 612.8470       118.8590 68.69624 32.87388 141.1897 14.56288 -72.49343      35.95511 
1 1 1 -13 35 13 o 167.0904 12.57062 847.5602       122.2819 119.8507       402.2029 921.6765       128.3581 88.44276 39.16765 174.2430 12.64689 -85.80026      41.15882 
1 1 1 -13 35 14 o 204.7700 10.55268 1259.719       126.3025 1049.097       443.5102 1278.308       131.7582 155.2632 45.66823 206.0956 10.93999 -50.83249      46.96031 
1 1 1 -13 35 15 o 52.55378 21.70314 41.80439       108.5887 0.000000       0.000000 41.80439       108.5887 ?        ?        52.55378 21.70314 0.000000       21.70314 
1 1 1 -13 35 16 o 80.05212 22.11117 214.3133       107.2373 77.93458       462.7409 222.0533       110.2383 88.41782 40.32141 81.37452 22.39581 7.043304       46.12362 
1 1 1 -13 35 17 o 44.76199 20.05312 -28.76314      108.6070 0.000000       0.000000 -28.76314      108.6070 ?        ?        44.76199 20.05312 0.000000       20.05312 
1 1 1 -13 35 18 o 136.6197 15.02702 581.6859       118.4171 0.000000       0.000000 581.6859       118.4171 ?        ?        136.6197 15.02702 0.000000       15.02702 
1 1 1 -13 35 19 o 62.04087 23.01371 112.0946       111.3834 0.000000       0.000000 112.0946       111.3834 ?        ?        62.04087 23.01371 0.000000       23.01371 
1 1 1 -13 35 20 o 85.09999 24.01700 252.5787       125.0666 0.000000       0.000000 252.5787       125.0666 ?        ?        85.09999 24.01700 0.000000       24.01700 
1 1 1 -13 35 21 o 103.3802 21.21044 360.5989       124.2831 0.000000       0.000000 360.5989       124.2831 ?        ?        103.3802 21.21044 0.000000       21.21044 
1 1 1 -13 35 22 o 89.50146 22.78495 278.3473       119.8918 0.000000       0.000000 278.3473       119.8918 ?        ?        89.50146 22.78495 0.000000       22.78495 
1 1 1 -13 35 23 o 154.6546 14.78206 751.7321       132.4456 0.000000       0.000000 751.7321       132.4456 ?        ?        154.6546 14.78206 0.000000       14.78206 
1 1 1 -13 35 24 o 45.97977 20.63797 -21.24069      115.6359 0.000000       0.000000 -21.24069      115.6359 ?        ?        45.97977 20.63797 0.000000       20.63797 
1 1 1 -13 35 25 o 125.6831 18.29324 520.2722       130.8853 0.000000       0.000000 520.2722       130.8853 ?        ?        125.6831 18.29324 0.000000       18.29324 
1 1 1 -13 35 26 o 138.6587 17.35976 627.7167       138.0845 0.000000       0.000000 627.7167       138.0845 ?        ?        138.6587 17.35976 0.000000       17.35976 
1 1 1 -13 35 27 o 45.42185 20.99656 -58.74789      131.4400 0.000000       0.000000 -58.74789      131.4400 ?        ?        45.42185 20.99656 0.000000       20.99656 
1 1 1 -13 35 28 o 57.77212 24.36190 68.66494       141.1081 0.000000       0.000000 68.66494       141.1081 ?        ?        57.77212 24.36190 0.000000       24.36190 
1 1 1 -13 35 29 o 92.19830 26.64768 329.2285       152.1816 0.000000       0.000000 329.2285       152.1816 ?        ?        92.19830 26.64768 0.000000       26.64768 
1 1 1 -13 35 30 o 56.16459 24.53196 42.78728       152.8395 0.000000       0.000000 42.78728       152.8395 ?        ?        56.16459 24.53196 0.000000       24.53196 
1 1 1 -13 35 31 o 78.68935 31.03362 250.3030       210.9613 0.000000       0.000000 250.3030       210.9613 ?        ?        78.68935 31.03362 0.000000       31.03362 
1 1 1 -13 36 1  o 345.4571 12.08611 3589.019       244.4904 4310.330       420.0714 3219.503       300.6619 371.5348 19.34513 324.2612 15.85813 47.27356       25.01429 
1 1 1 -13 36 2  f 383.7722 10.95146 4409.248       246.2360 0.000000       0.000000 4409.248       246.2360 ?        ?        383.7722 10.95146 0.000000       10.95146 
1 1 1 -13 36 3  o 383.3161 18.59703 4570.076       416.8246 4570.076       416.8246 0.000000       0.000000 383.3161 18.59703 ?        ?        0.000000       18.59703 
1 1 1 -13 36 4  o 256.2622 23.27151 2116.789       345.9415 2116.789       345.9415 0.000000       0.000000 256.2622 23.27151 ?        ?        0.000000       23.27151 
1 1 1 -13 36 5  o 137.5661 18.03885 594.4449       142.0329 628.4956       309.2664 585.3434       159.8924 128.1348 38.24935 135.0424 20.86006 -6.907547      43.56782 
1 1 1 -13 36 6  o 218.3941 10.88883 1431.369       139.0275 1938.121       359.3676 1342.176       150.7669 242.4190 25.66616 210.8251 12.24635 31.59387       28.43809 
1 1 1 -13 36 7  o 117.2300 18.91626 437.6396       125.6283 0.000000       0.000000 437.6396       125.6283 ?        ?        117.2300 18.91626 0.000000       18.91626 
1 1 1 -13 36 8  o 95.53664 20.19539 296.7972       109.6097 485.8679       365.3063 278.0912       114.9040 111.7354 41.63368 91.82452 21.68535 19.91088       46.94270 
1 1 1 -13 36 9  o 63.63202 22.88876 118.1404       108.9242 -386.6892      394.8913 159.7129       113.3204 67.84011 32.77585 70.74788 23.44155 -2.907768      40.29593 
1 1 1 -13 36 10 o 74.91251 22.74669 184.7826       108.6990 -612.0428      376.9939 257.0329       113.5201 59.82522 29.54584 87.92061 22.05582 -28.09539      36.87026 
1 1 1 -13 36 11 o 129.1492 15.58113 519.1486       115.6341 -194.1995      380.3860 591.7817       121.3783 72.40256 34.18910 138.1574 15.23271 -65.75481      37.42900 
1 1 1 -13 36 12 o 158.8763 13.73135 773.9531       126.6903 -155.6806      385.7862 886.3266       134.1290 74.07112 34.80775 170.1833 13.55045 -96.11215      37.35230 
1 1 1 -13 36 13 o 210.8972 11.41793 1343.754       140.6974 836.3008       412.4607 1410.577       149.6748 137.1086 44.68591 215.8372 11.86990 -78.72853      46.23554 
1 1 1 -13 36 14 o 78.72217 22.73198 208.3144       110.7903 620.3085       413.4446 176.4415       114.9959 118.1244 44.23608 73.09644 23.57729 45.02792       50.12703 
1 1 1 -13 36 15 o 47.39656 20.68489 -0.9853747     108.4657 344.6707       438.3887 -23.52491      111.9463 98.89365 42.36319 45.86957 20.46752 53.02409       47.04847 
1 1 1 -13 36 16 o 84.72229 22.03742 243.1216       110.5196 677.1172       460.2939 216.5706       113.8501 118.2896 46.07959 79.74059 23.04909 38.54900       51.52271 
1 1 1 -13 36 17 o 140.5661 14.54796 615.5232       118.2000 1209.850       452.8368 572.0699       122.4448 160.3044 45.85447 134.7769 15.78982 25.52751       48.49692 
1 1 1 -13 36 18 o 61.45558 22.73017 111.8615       108.5129 0.000000       0.000000 111.8615       108.5129 ?        ?        61.45558 22.73017 0.000000       22.73017 
1 1 1 -13 36 19 o 80.58353 24.08576 227.0705       122.5720 0.000000       0.000000 227.0705       122.5720 ?        ?        80.58353 24.08576 0.000000       24.08576 
1 1 1 -13 36 20 o 65.25678 23.91569 133.4573       119.6704 0.000000       0.000000 133.4573       119.6704 ?        ?        65.25678 23.91569 0.000000       23.91569 
1 1 1 -13 36 21 o 66.40189 24.05137 142.2676       120.5265 0.000000       0.000000 142.2676       120.5265 ?        ?        66.40189 24.05137 0.000000       24.05137 
1 1 1 -13 36 22 o 75.07349 24.14790 198.6751       120.6854 0.000000       0.000000 198.6751       120.6854 ?        ?        75.07349 24.14790 0.000000       24.14790 
1 1 1 -13 36 23 o 152.5002 15.20102 738.0250       134.1456 0.000000       0.000000 738.0250       134.1456 ?        ?        152.5002 15.20102 0.000000       15.20102 
1 1 1 -13 36 24 o 84.96892 24.61461 263.8081       129.7092 0.000000       0.000000 263.8081       129.7092 ?        ?        84.96892 24.61461 0.000000       24.61461 
1 1 1 -13 36 25 o 62.99719 24.73173 118.7441       133.4474 0.000000       0.000000 118.7441       133.4474 ?        ?        62.99719 24.73173 0.000000       24.73173 
1 1 1 -13 36 26 f 126.3911 19.70634 540.3339       141.3115 0.000000       0.000000 540.3339       141.3115 ?        ?        126.3911 19.70634 0.000000       19.70634 
1 1 1 -13 36 27 o 64.84347 25.36564 134.0125       139.9536 0.000000       0.000000 134.0125       139.9536 ?        ?        64.84347 25.36564 0.000000       25.36564 
1 1 1 -13 36 28 o 122.3964 21.77250 526.8986       150.5604 0.000000       0.000000 526.8986       150.5604 ?        ?        122.3964 21.77250 0.000000       21.77250 
1 1 1 -13 36 29 o 201.0737 15.24009 1298.478       178.3804 0.000000       0.000000 1298.478       178.3804 ?        ?        201.0737 15.24009 0.000000       15.24009 
1 1 1 -13 36 30 o 71.67464 27.45511 190.8567       161.4080 0.000000       0.000000 190.8567       161.4080 ?        ?        71.67464 27.45511 0.000000       27.45511 
1 1 1 -13 37 1  o 164.3230 15.19850 832.9697       144.8111 0.000000       0.000000 832.9697       144.8111 ?        ?        164.3230 15.19850 0.000000       15.19850 
1 1 1 -13 37 2  o 278.3285 11.45734 2332.845       186.6218 0.000000       0.000000 2332.845       186.6218 ?        ?        278.3285 11.45734 0.000000       11.45734 
1 1 1 -13 37 3  o 167.4933 15.85754 869.3357       153.9150 1326.282       329.3990 741.7037       174.0883 195.4980 29.65946 152.2507 19.97821 43.24730       35.76049 
1 1 1 -13 37 4  o 101.8434 20.79334 339.4392       119.9904 957.5287       315.4723 234.8981       129.7415 161.1400 34.42707 83.43608 24.74169 77.70392       42.39546 
1 1 1 -13 37 5  o 121.7687 17.78712 469.7926       123.2777 383.0695       315.6989 485.3957       133.9091 101.7672 38.53622 123.0991 19.17250 -21.33198      43.04213 
1 1 1 -13 37 6  o 61.42931 23.23458 100.9620       114.6860 648.3666       328.0323 24.73364       122.4111 126.5450 39.70785 53.01169 22.53720 73.53329       45.65784 
1 1 1 -13 37 7  o 234.8384 10.82150 1659.162       148.6407 1366.970       390.6774 1708.618       160.7286 190.5780 36.27866 237.9006 11.55441 -47.32259      38.07421 
1 1 1 -13 37 8  o 88.64650 21.91772 262.3344       113.2978 1142.596       403.3753 186.9424       118.0500 167.4005 41.33634 75.14529 23.85225 92.25517       47.72445 
1 1 1 -13 37 9  o 99.36928 20.51670 324.3876       115.6037 20.82324       401.6176 351.8116       120.7126 82.28529 37.53988 103.5422 20.60353 -21.25695      42.82228 
1 1 1 -13 37 10 o 144.2585 14.36466 642.8418       119.9177 826.6630       404.9538 625.1730       125.5487 136.2048 44.26935 141.7455 15.34714 -5.540710      46.85413 
1 1 1 -13 37 11 o 154.9250 13.58816 737.6750       122.2130 402.8610       408.5438 770.5809       128.0779 102.2827 42.15402 158.1728 13.94956 -55.89015      44.40216 
1 1 1 -13 37 12 o 114.8373 18.36149 424.5162       119.4998 -482.7302      387.6785 519.7684       125.6164 62.99069 30.88110 127.9520 17.17294 -64.96136      35.33486 
1 1 1 -13 37 13 o 141.7351 15.37845 628.3266       125.7862 -100.7650      401.6992 707.5887       132.4472 75.75101 35.57233 150.5900 15.20473 -74.83901      38.68559 
1 1 1 -13 37 14 o 200.5263 11.98123 1225.274       140.2615 701.4376       398.1932 1299.477       149.8668 121.8150 43.76979 206.2214 12.44940 -84.40638      45.50584 
1 1 1 -13 37 15 o 57.93653 22.95280 81.36105       115.8797 19.17964       392.2069 87.30827       121.2948 78.75035 36.35553 59.36353 23.49412 19.38682       43.28624 
1 1 1 -13 37 16 o 75.95726 22.91484 198.1537       110.5628 573.6705       423.3833 170.6712       114.5372 109.0698 43.65422 71.17046 23.56653 37.89932       49.60920 
1 1 1 -13 37 17 o 62.92793 23.01656 121.4094       110.7571 28.91306       452.6057 127.3012       114.2301 81.61349 38.14233 64.08270 23.38470 17.53080       44.74015 
1 1 1 -13 37 18 o 75.93790 24.00939 201.0172       119.7140 0.000000       0.000000 201.0172       119.7140 ?        ?        75.93790 24.00939 0.000000       24.00939 
1 1 1 -13 37 19 o 65.38405 24.00776 135.5607       120.6836 56.53199       465.3589 141.2590       124.9588 81.88453 38.40007 66.46734 24.42530 15.41719       45.51001 
1 1 1 -13 37 20 o 128.4229 17.47465 535.8702       128.2027 0.000000       0.000000 535.8702       128.2027 ?        ?        128.4229 17.47465 0.000000       17.47465 
1 1 1 -13 37 21 o 106.6187 21.25423 390.2956       128.2355 0.000000       0.000000 390.2956       128.2355 ?        ?        106.6187 21.25423 0.000000       21.25423 
1 1 1 -13 37 22 f 74.12292 24.79333 196.6263       126.7052 0.000000       0.000000 196.6263       126.7052 ?        ?        74.12292 24.79333 0.000000       24.79333 
1 1 1 -13 37 23 o 102.4979 23.18958 375.0833       136.1294 0.000000       0.000000 375.0833       136.1294 ?        ?        102.4979 23.18958 0.000000       23.18958 
1 1 1 -13 37 24 o 97.74163 23.45047 344.6193       132.7023 0.000000       0.000000 344.6193       132.7023 ?        ?        97.74163 23.45047 0.000000       23.45047 
1 1 1 -13 37 25 o 153.7802 16.35719 767.4526       145.2622 0.000000       0.000000 767.4526       145.2622 ?        ?        153.7802 16.35719 0.000000       16.35719 
1 1 1 -13 37 26 o 150.2531 17.82947 748.6710       154.0538 0.000000       0.000000 748.6710       154.0538 ?        ?        150.2531 17.82947 0.000000       17.82947 
1 1 1 -13 37 27 o 80.49014 27.21030 253.2063       152.5914 0.000000       0.000000 253.2063       152.5914 ?        ?        80.49014 27.21030 0.000000       27.21030 
1 1 1 -13 37 28 o 159.2547 16.83533 833.4771       154.8629 0.000000       0.000000 833.4771       154.8629 ?        ?        159.2547 16.83533 0.000000       16.83533 
1 1 1 -13 38 1  o 162.3761 13.95649 810.4815       131.6191 651.3069       305.1138 846.8738       145.8914 127.4459 37.97918 165.2987 15.21983 -37.85283      40.91530 
1 1 1 -13 38 2  o 254.6306 21.88712 2107.394       323.6827 2107.394       323.6827 0.000000       0.000000 254.6306 21.88712 ?        ?        0.000000       21.88712 
1 1 1 -13 38 3  o 278.9409 9.777396 2331.551       159.7033 3435.851       368.1010 2075.487       177.2548 329.0376 19.15815 262.0402 11.56246 66.99738       22.37689 
1 1 1 -13 38 4  o 157.0119 15.57433 767.4408       141.5262 0.000000       0.000000 767.4408       141.5262 ?        ?        157.0119 15.57433 0.000000       15.57433 
1 1 1 -13 38 5  o 166.3690 16.11053 864.8758       155.2279 867.4608       344.7584 864.2184       173.8465 145.6279 39.41325 164.8814 18.28514 -19.25348      43.44825 
1 1 1 -13 38 6  o 83.48954 23.74058 237.8990       121.7390 454.6541       346.2805 207.3310       130.0401 105.6848 40.27970 78.22902 25.05689 27.45580       47.43735 
1 1 1 -13 38 7  o 62.99960 23.65830 112.4302       118.4317 -229.0197      334.7589 161.2809       126.6205 65.67101 31.31515 70.83099 24.75529 -5.159988      39.91821 
1 1 1 -13 38 8  o 116.0039 17.69552 430.8941       116.5836 279.9857       353.0858 449.3596       123.5106 92.17545 38.68311 118.1006 18.43396 -25.92515      42.85083 
1 1 1 -13 38 9  o 135.3240 15.63460 574.6540       121.8038 732.6990       364.2126 554.7517       129.2457 128.1121 42.00584 132.1217 17.07901 -4.009552      45.34515 
1 1 1 -13 38 10 o 96.85049 21.83237 317.1105       121.0347 205.4759       374.1990 330.1544       127.9105 87.52837 38.30478 98.41599 22.63364 -10.88762      44.49200 
1 1 1 -13 38 11 o 45.02533 20.41396 -40.09031      116.4804 32.23838       393.1625 -47.04967      121.9555 79.57964 36.61610 45.53344 20.73969 34.04621       42.08175 
1 1 1 -13 38 12 o 184.6703 12.72991 1046.907       137.0275 401.6422       417.8764 1124.650       145.0475 98.72856 41.79254 191.2435 13.00968 -92.51489      43.77063 
1 1 1 -13 38 13 o 43.36069 19.89623 -55.15248      114.9867 55.64168       432.4976 -63.57965      119.2796 82.01890 37.97454 43.57471 20.09239 38.44419       42.96243 
1 1 1 -13 38 14 o 99.13757 21.19658 332.6897       119.5073 -196.7197      414.6349 380.6535       124.8036 71.70579 34.37054 106.5244 20.72303 -34.81860      40.13450 
1 1 1 -13 38 15 o 123.8859 16.94956 493.1747       119.9232 -467.9855      405.3858 585.3550       125.5422 63.16236 31.08733 135.6651 16.09174 -72.50279      35.00523 
1 1 1 -13 38 16 o 97.04753 21.48246 322.3444       119.0357 345.7671       404.5857 320.1247       124.5483 93.05193 40.28499 96.06188 22.50398 -3.009949      46.14444 
1 1 1 -13 38 17 o 57.17175 22.95485 78.84485       117.4508 446.0912       404.1793 44.97324       122.7477 98.03929 41.28027 53.86288 22.71803 44.17641       47.11868 
1 1 1 -13 38 18 o 55.56095 22.87495 64.40055       120.1412 22.71353       409.2859 68.33119       125.6776 76.95959 36.06548 56.72274 23.37905 20.23685       42.98021 
1 1 1 -13 38 19 o 40.02046 19.09229 -125.2709      124.7250 -489.5614      426.4132 -91.18801      130.4291 62.91833 31.13702 43.26506 20.30208 19.65328       37.17107 
1 1 1 -13 38 20 o 44.04366 20.38547 -62.26968      124.4844 46.22871       448.1711 -71.34025      129.5834 78.30864 37.01786 44.33801 20.61682 33.97063       42.37187 
1 1 1 -13 38 21 o 79.14461 25.11642 230.5821       130.9009 -621.7202      497.0104 294.1107       135.6917 64.25500 32.09396 89.20186 24.96052 -24.94685      40.65772 
1 1 1 -13 38 22 o 100.7965 23.81597 367.8501       138.5373 0.000000       0.000000 367.8501       138.5373 ?        ?        100.7965 23.81597 0.000000       23.81597 
1 1 1 -13 38 23 o 41.11238 19.65287 -129.7850      133.5754 0.000000       0.000000 -129.7850      133.5754 ?        ?        41.11238 19.65287 0.000000       19.65287 
1 1 1 -13 38 24 o 183.6052 15.89082 1088.931       169.4297 0.000000       0.000000 1088.931       169.4297 ?        ?        183.6052 15.89082 0.000000       15.89082 
1 1 1 -13 38 25 o 131.8550 21.44855 607.7138       160.1660 0.000000       0.000000 607.7138       160.1660 ?        ?        131.8550 21.44855 0.000000       21.44855 
1 1 1 -13 38 26 o 71.40810 26.72094 186.9867       150.7981 0.000000       0.000000 186.9867       150.7981 ?        ?        71.40810 26.72094 0.000000       26.72094 
1 1 1 -13 38 27 o 51.96809 23.47247 -3.468213      152.2683 0.000000       0.000000 -3.468213      152.2683 ?        ?        51.96809 23.47247 0.000000       23.47247 
1 1 1 -13 39 1  o 112.4055 21.37626 421.7863       135.7706 386.4528       298.2127 431.0254       152.4917 98.61346 37.42803 111.9948 23.94220 -13.38136      44.43069 
1 1 1 -13 39 2  o 205.2502 14.15987 1302.072       169.4039 1467.781       316.0948 1235.299       200.6528 205.1992 26.91399 197.2502 17.52743 7.948929       32.11812 
1 1 1 -13 39 3  o 121.6434 19.53157 483.5794       134.6251 1294.835       331.7249 323.6193       147.3008 187.5938 31.25034 95.63351 25.71081 91.96027       40.46763 
1 1 1 -13 39 4  o 158.9852 14.67061 786.9083       135.2484 534.4399       325.2010 839.7097       148.7204 110.9902 39.59298 163.5997 15.69239 -52.60950      42.58938 
1 1 1 -13 39 5  o 241.2533 11.51648 1768.109       162.4754 2451.084       376.4451 1611.757       180.1154 269.2272 24.09592 228.8524 13.47946 40.37488       27.60995 
1 1 1 -13 39 6  o 53.80496 23.44220 13.98474       138.8100 0.000000       0.000000 13.98474       138.8100 ?        ?        53.80496 23.44220 0.000000       23.44220 
1 1 1 -13 39 7  o 167.0244 14.90885 871.1885       144.5071 853.5599       364.5627 874.4747       157.4007 137.4953 41.63813 166.3368 16.34586 -28.84151      44.73166 
1 1 1 -13 39 8  o 72.55640 24.60344 177.5916       124.7594 635.5172       357.8807 114.2432       133.1094 117.1937 41.56280 63.98097 24.81994 53.21274       48.40966 
1 1 1 -13 39 9  f 84.15168 24.02036 247.9698       124.3902 -79.69505      360.2737 292.3167       132.5408 72.08826 33.80010 91.14768 24.33726 -19.05943      41.65031 
1 1 1 -13 39 10 o 48.81582 21.56058 -5.581560      121.0858 -638.2379      388.7794 62.37960       127.4236 58.18266 28.95262 56.89444 23.50432 1.288216       37.29219 
1 1 1 -13 39 11 o 92.55078 23.64308 300.3895       128.7813 -6.937993      399.5395 336.0205       136.0420 77.08311 35.96286 97.82289 23.91627 -20.73978      43.18930 
1 1 1 -13 39 12 f 106.3446 21.90879 386.5684       132.0929 60.31294       409.3956 424.4801       139.5568 79.93208 36.98665 111.4076 22.13950 -31.47552      43.10649 
1 1 1 -13 39 13 o 158.9611 14.75979 793.5284       136.0293 -225.3973      398.2234 928.1261       144.7352 68.83336 33.17053 172.2189 14.46339 -103.3856      36.18665 
1 1 1 -13 39 14 o 93.58900 22.20224 304.4225       120.0133 -21.45340      403.0215 336.1314       125.7167 75.53643 35.52153 98.40298 22.30115 -22.86655      41.94187 
1 1 1 -13 39 15 o 77.39512 24.13460 213.1311       121.3787 -64.11020      396.3276 241.8262       127.5055 73.16049 34.65152 81.95811 24.58183 -8.797623      42.48523 
1 1 1 -13 39 16 o 79.49506 23.85038 226.2579       120.0166 -444.0907      386.4739 297.8037       126.2589 60.97921 30.07802 91.37572 23.44603 -30.39651      38.13665 
1 1 1 -13 39 17 o 53.25655 22.58611 43.37215       122.4321 231.5124       393.6851 23.22798       128.8198 84.25860 37.92776 52.12500 22.64801 32.13360       44.17519 
1 1 1 -13 39 18 o 85.47854 24.29379 266.7800       127.5111 491.2992       413.8023 243.2244       134.0332 97.27242 41.39837 81.14680 25.37017 16.12563       48.55380 
1 1 1 -13 39 19 o 48.39787 22.04570 -33.73462      137.8248 160.4258       464.6029 -52.46978      144.3212 82.10556 38.46045 48.08013 22.14505 34.02543       44.38028 
1 1 1 -13 39 20 o 91.10164 25.10685 308.7761       138.4369 325.2279       485.4422 307.3197       144.4346 88.02771 40.56963 90.26579 25.92118 -2.238083      48.14355 
1 1 1 -13 39 21 o 73.62075 26.22731 199.1208       142.6534 -130.1090      488.4363 229.8229       149.1567 73.17031 35.60708 77.87437 26.88797 -4.704056      44.61869 
1 1 1 -13 39 22 o 141.3781 19.05731 673.6315       153.9931 569.0803       470.8825 686.1523       162.9533 96.48714 42.57091 141.6249 20.18981 -45.13777      47.11593 
1 1 1 -13 39 23 o 69.50795 26.70702 169.9770       153.0511 -459.6872      462.5438 247.3940       162.1871 63.72683 31.68974 79.40977 27.99657 -15.68294      42.28531 
1 1 1 -13 39 24 o 57.97033 25.77775 34.33844       175.9951 0.000000       0.000000 34.33844       175.9951 ?        ?        57.97033 25.77775 0.000000       25.77775 
1 1 1 -13 39 25 o 106.7363 28.31286 458.6560       180.1204 0.000000       0.000000 458.6560       180.1204 ?        ?        106.7363 28.31286 0.000000       28.31286 
1 1 1 -13 40 1  o 185.4764 14.50225 1071.572       156.4986 1357.516       330.2287 988.7510       177.7236 191.8100 30.36573 175.8500 17.46314 15.95995       35.02911 
1 1 1 -13 40 2  o 193.7175 13.67415 1161.208       154.3548 1545.771       322.8236 1047.233       175.7459 209.1396 26.94499 181.6297 16.68490 27.50998       31.69256 
1 1 1 -13 40 3  o 201.4082 13.20533 1250.848       155.1226 837.8705       329.0020 1368.900       175.9021 139.2858 38.82692 209.7871 14.38393 -70.50130      41.40564 
1 1 1 -13 40 4  o 51.95884 23.18199 -12.71346      143.5661 0.000000       0.000000 -12.71346      143.5661 ?        ?        51.95884 23.18199 0.000000       23.18199 
1 1 1 -13 40 5  o 104.7271 22.47806 376.7048       133.9294 435.2621       310.5468 363.3250       148.4438 100.5307 38.18521 100.9904 25.15707 -0.4597778     45.72733 
1 1 1 -13 40 6  o 59.66703 24.38254 79.48573       135.2070 -383.3680      320.1990 179.9220       149.1569 57.61605 28.20846 73.23487 26.72208 -15.61882      38.85597 
1 1 1 -13 40 7  o 55.99499 23.85048 43.02628       137.5433 312.8377       387.1764 4.058158       147.1409 91.37321 39.48331 53.77528 23.75846 37.59793       46.08032 
1 1 1 -13 40 8  o 56.06627 23.43023 55.71668       128.7092 11.92719       402.4080 60.70697       135.8453 77.47327 36.12723 57.54692 24.06158 19.92636       43.40664 
1 1 1 -13 40 9  o 51.18771 22.58932 1.802084       132.6526 -158.3414      401.9942 21.37115       140.5239 71.09420 34.01441 54.18420 23.59726 16.91000       41.39819 
1 1 1 -13 40 10 o 90.03748 24.82038 292.1748       135.2750 506.5495       386.8966 262.3177       144.3882 102.1954 41.43734 84.65130 26.31127 17.54414       49.08499 
1 1 1 -13 40 11 o 100.8128 23.00115 356.5780       132.9783 165.8024       397.9685 380.5555       141.0877 82.63046 37.56980 103.7163 23.71270 -21.08580      44.42727 
1 1 1 -13 40 12 o 133.7809 18.41638 588.0480       140.6638 -131.7655      391.7429 694.5923       150.7150 70.36200 33.64074 145.8616 17.99978 -75.49960      38.15352 
1 1 1 -13 40 13 o 109.7344 21.84263 416.1964       135.6275 695.4326       390.4170 377.8730       144.6353 114.1230 42.93406 102.4785 24.41463 11.64442       49.39036 
1 1 1 -13 40 14 o 67.88781 24.32003 156.2510       122.8332 418.1624       393.5772 127.9871       129.2911 94.12078 40.22484 64.20934 24.57807 29.91145       47.13936 
1 1 1 -13 40 15 o 56.61417 23.45618 69.15946       127.4051 646.0517       386.8142 -1.040118      134.9343 108.8258 42.28434 50.69647 22.55559 58.12936       47.92410 
1 1 1 -13 40 16 o 103.6504 22.63264 380.0101       133.7153 634.3231       413.8375 350.3647       141.2941 105.8095 42.87289 97.82505 24.64345 7.984474       49.45083 
1 1 1 -13 40 17 o 110.5156 22.07417 428.0819       138.0628 405.2593       435.1536 430.6364       145.5846 91.58247 40.63962 109.8077 23.32710 -18.22522      46.85864 
1 1 1 -13 40 18 o 158.6349 16.23079 813.8685       148.8779 932.1118       438.8449 798.4900       158.2635 123.1336 45.67969 155.8557 17.62320 -32.72215      48.96133 
1 1 1 -13 40 19 o 53.66894 23.56964 25.36462       142.7973 -25.99113      390.7112 33.28210       153.4103 71.38769 33.98212 55.70148 24.44706 15.68621       41.86219 
1 1 1 -13 40 20 o 48.56923 22.24400 -36.44096      142.8103 -411.6406      330.4075 49.75644       158.3674 55.43909 27.43081 57.54144 25.05513 -2.102356      37.15116 
1 1 1 -13 40 21 o 58.15632 24.71851 70.50459       147.1933 -138.8704      320.7523 126.3591       165.6672 62.53554 30.04169 65.26747 26.86543 -2.731934      40.30204 
1 1 1 -13 40 22 o 61.79786 25.87074 99.08221       157.3320 -152.6412      355.0954 160.5687       175.4984 64.33053 31.08031 69.13689 27.95334 -4.806366      41.80161 
1 1 1 -13 40 23 o 133.3649 26.22292 675.8031       197.7899 0.000000       0.000000 675.8031       197.7899 ?        ?        133.3649 26.22292 0.000000       26.22292 
1 1 1 -13 41 1  o 108.6689 25.88928 428.0336       162.6358 419.7626       346.3439 430.3733       184.2083 97.05830 39.25951 106.4783 28.80639 -9.419968      48.69412 
1 1 1 -13 41 2  o 72.66215 26.36281 180.2718       144.8854 1065.656       395.3015 42.87551       155.7220 148.9109 42.92033 58.10334 25.07322 90.80752       49.70736 
1 1 1 -13 41 3  o 148.5222 18.10972 718.1693       154.4865 265.3743       346.8407 830.2316       172.5477 86.57450 37.38977 159.1606 18.85069 -72.58610      41.87295 
1 1 1 -13 41 4  o 101.1070 27.03335 379.6791       163.3949 0.000000       0.000000 379.6791       163.3949 ?        ?        101.1070 27.03335 0.000000       27.03335 
1 1 1 -13 41 5  o 119.9962 22.36316 496.3829       151.5918 812.2980       360.1070 428.3420       167.1211 128.9458 41.73344 107.8773 26.58822 21.06850       49.48347 
1 1 1 -13 41 6  o 61.81747 25.31832 93.16091       146.1938 292.3438       366.7509 55.53230       159.4059 88.01694 38.22876 59.49611 25.51701 28.52083       45.96255 
1 1 1 -13 41 7  o 45.61822 21.24740 -79.38516      138.5334 27.57793       353.8754 -98.74439      150.5489 73.98505 34.28797 46.46575 21.80649 27.51930       40.63481 
1 1 1 -13 41 8  o 49.95468 22.37141 -13.16164      135.0394 52.43579       360.0253 -23.90130      145.6749 75.25754 34.77465 50.78297 22.94589 24.47456       41.66282 
1 1 1 -13 41 9  o 63.95852 24.96721 121.7315       135.3595 461.6758       361.0913 66.15184       146.0061 97.93245 39.91172 58.72729 24.77378 39.20516       46.97537 
1 1 1 -13 41 10 o 96.56592 24.49273 338.5703       138.8973 640.6904       371.7919 289.5640       149.7392 110.2834 41.80639 87.73131 26.70960 22.55214       49.61025 
1 1 1 -13 41 11 o 84.47986 25.66757 265.0420       138.3781 -494.2027      381.0734 380.3635       148.5159 58.88892 29.19459 101.9337 25.02951 -43.04478      38.45517 
1 1 1 -13 41 12 o 45.98113 21.36191 -70.04646      138.6419 -478.3071      409.2739 -17.12479      147.3541 61.32029 30.37447 51.24543 23.12346 10.07486       38.17463 
1 1 1 -13 41 13 o 107.8525 23.26501 414.5660       142.8293 -5.787140      406.7669 473.6820       152.5424 74.11629 35.10443 115.4439 23.33389 -41.32760      42.15201 
1 1 1 -13 41 14 o 110.2052 21.93158 424.8765       136.7627 53.79233       404.8668 472.6736       145.3038 75.90318 35.66536 116.2265 22.12472 -40.32328      41.97048 
1 1 1 -13 41 15 o 122.9420 20.87399 520.3333       145.1301 549.8530       398.7299 515.8251       155.8183 99.63553 41.40684 120.6709 22.85386 -21.03536      47.29509 
1 1 1 -13 41 16 o 129.3907 19.85586 569.4826       145.8710 252.2963       384.2098 622.9041       157.6773 82.56358 37.28904 134.7136 20.61195 -52.15005      42.60663 
1 1 1 -13 41 17 o 113.1292 25.69804 479.9104       166.6050 312.4353       365.0067 523.9847       187.2487 84.88249 37.46448 116.0475 27.86497 -31.16504      46.69094 
1 1 1 -13 41 18 o 71.10150 27.71491 179.4319       166.5952 154.2528       304.6790 190.1706       198.9742 74.61536 33.49469 73.19119 29.70180 1.424171       44.76708 
1 1 1 -13 41 19 o 43.68575 20.80636 -122.2377      146.8638 -42.17796      267.0987 -156.9315      175.8290 62.15990 29.13153 46.45186 22.29624 15.70805       36.68471 
1 1 1 -13 41 20 o 77.75784 26.82418 234.3948       148.4376 342.9043       271.2729 188.0199       177.3430 86.36031 34.81180 71.95560 28.43009 14.40470       44.94587 
1 1 1 -13 42 1  o 66.92715 30.17063 41.74443       250.1652 393.6809       360.9812 -283.4703      347.0065 93.00787 39.07789 61.75139 30.04170 31.25647       49.29082 
1 1 1 -13 42 2  o 120.9614 23.26138 514.8506       159.0267 1102.581       378.3197 388.7146       175.2627 152.0077 41.34917 100.2892 28.47456 51.71850       50.20512 
1 1 1 -13 42 3  o 169.1323 16.84165 924.0798       164.8380 592.4662       358.1990 1013.173       185.6654 107.3009 40.94973 175.7517 18.27954 -68.45078      44.84443 
1 1 1 -13 42 4  o 96.72209 25.92142 347.7746       150.0137 901.3919       347.1253 220.6349       166.3497 137.0323 40.42777 77.46079 28.22687 59.57151       49.30680 
1 1 1 -13 42 5  o 107.6115 25.84997 427.5524       161.0951 424.0869       355.6722 428.4468       180.6920 94.61504 39.19505 105.1858 28.56119 -10.57081      48.49735 
1 1 1 -13 42 6  o 92.91968 27.16916 328.8068       157.3742 197.6262       334.6326 366.0596       178.3253 80.31010 35.63770 96.45905 29.10214 -16.14896      46.01065 
1 1 1 -13 42 7  o 69.11743 26.66105 157.5722       152.9460 958.6956       353.4272 -27.02766      169.6547 141.0743 40.55933 53.71627 24.46479 87.35802       47.36650 
1 1 1 -13 42 8  o 66.33051 25.84013 138.8770       144.7514 582.6907       349.9092 47.24428       158.9939 106.0687 40.47466 58.09652 25.20240 47.97216       47.67975 
1 1 1 -13 42 9  o 66.12241 25.67244 138.8953       142.5029 56.00473       361.6493 154.1308       155.0470 74.17119 34.47308 68.64609 26.74299 5.525101       43.63004 
1 1 1 -13 42 10 o 104.1534 24.70525 397.1607       148.6138 -164.6505      390.4528 492.3394       160.7101 67.77228 32.70557 116.7909 24.25689 -49.01858      40.71918 
1 1 1 -13 42 11 o 81.37327 26.14023 249.9551       141.4533 251.4112       390.0694 249.7346       151.7852 83.30495 37.60288 80.88467 27.13756 2.420280       46.37266 
1 1 1 -13 42 12 o 45.09383 21.09940 -80.74870      139.1700 21.57535       392.2475 -95.48471      148.8542 73.43385 34.68876 45.79694 21.55235 27.63691       40.83887 
1 1 1 -13 42 13 o 72.25037 26.10271 190.2615       141.8470 -80.19263      390.4932 231.3729       152.2467 69.53248 33.33574 77.86983 27.14970 -8.337349      42.99276 
1 1 1 -13 42 14 o 51.93414 23.31290 -2.087808      147.5948 -476.3711      404.3522 70.81757       158.5334 59.90074 29.76063 59.50367 25.48217 0.3970680      39.17954 
1 1 1 -13 42 15 o 67.52510 26.72789 151.0189       157.0032 52.31950       373.6696 172.1788       173.0163 72.94669 34.27225 70.53083 28.01289 2.415863       44.26409 
1 1 1 -13 42 16 o 113.5718 24.58012 475.9736       158.9621 -85.56030      334.2408 640.1113       180.7073 65.44907 31.23193 132.7443 24.09915 -67.29520      39.44873 
1 1 1 -13 42 17 o 64.31882 27.00158 113.7464       172.1233 -525.9670      303.7357 416.3609       208.9046 50.00668 24.99428 97.78985 31.79705 -47.78316      40.44461 
1 1 1 -13 42 18 o 72.48692 27.57336 197.1034       162.0712 373.9567       316.8865 134.4545       188.6053 87.29190 36.64092 66.94481 28.19394 20.34709       46.23262 
1 1 1 -13 43 1  o 57.00325 24.43247 53.36217       145.9731 -237.5690      338.5096 119.8198       161.7887 61.78608 29.96888 65.17664 26.65740 -3.390560      40.10923 
1 1 1 -13 43 2  o 67.08335 26.85320 138.9383       160.2265 234.8488       350.1331 113.5333       180.2019 82.01507 36.42070 65.90462 27.64510 16.11044       45.72438 
1 1 1 -13 43 3  o 62.72704 25.76267 104.6381       151.9085 -262.6157      325.5935 206.8245       171.7470 59.83241 29.10629 75.22997 28.43790 -15.39756      40.69263 
1 1 1 -13 43 4  o 58.63963 25.16110 60.77337       155.1211 -250.1802      359.1346 132.0914       171.9923 62.85407 30.57452 67.00488 27.45434 -4.150810      41.09188 
1 1 1 -13 43 5  o 115.9949 25.04533 493.6365       165.3841 509.7643       345.6255 488.8472       188.3466 99.30809 39.54379 111.7492 28.61676 -12.44106      48.81219 
1 1 1 -13 43 6  o 130.1048 22.82435 598.0999       167.8095 1715.651       373.8966 316.2056       187.7850 206.7864 31.85144 88.09286 30.17866 118.6936       43.87785 
1 1 1 -13 43 7  o 74.31242 28.38107 202.1783       172.1418 665.9882       358.7636 63.46016       196.2027 110.1626 41.21681 62.69748 27.57803 47.46513       49.59207 
1 1 1 -13 43 8  o 128.5368 22.22482 580.9669       161.4794 676.3538       350.6766 555.2981       181.9137 111.4216 40.92219 121.6126 26.27426 -10.19092      48.63087 
1 1 1 -13 43 9  o 86.11250 27.97038 292.8362       161.6718 1106.657       385.9710 119.6664       178.0436 145.5541 42.54584 65.76565 27.52563 79.78846       50.67355 
1 1 1 -13 43 10 o 62.90541 26.08835 106.3825       157.8190 -278.7589      378.9284 187.2104       173.5912 62.83025 30.74555 72.35423 28.26561 -9.523975      41.76402 
1 1 1 -13 43 11 o 69.22903 27.18213 163.9012       161.2210 529.4351       397.0349 91.72930       176.4204 96.76418 40.83784 62.95388 26.91865 33.81030       48.91158 
1 1 1 -13 43 12 o 72.95181 27.13934 196.4159       155.1076 63.41992       392.2711 221.0632       168.8696 74.18544 34.93534 76.07612 28.31462 -1.890678      44.96883 
1 1 1 -13 43 13 o 46.63471 21.85229 -81.25822      150.1976 67.93479       387.7760 -107.5916      162.9146 73.92196 34.78749 47.05678 22.26668 26.86518       41.30344 
1 1 1 -13 43 14 o 145.3477 21.46444 739.4031       177.4715 157.2106       369.5271 913.9493       202.3337 76.40304 35.27788 161.1344 21.98330 -84.73132      41.56674 
1 1 1 -13 44 1  o 62.88478 25.67617 111.1670       149.7822 352.7651       387.0466 68.61259       162.4385 87.54450 38.61173 59.81696 25.70825 27.72755       46.38728 
1 1 1 -13 44 2  o 66.69779 30.28394 52.17515       257.4821 367.9291       350.8152 -316.5403      379.0964 88.47221 37.89763 61.98014 30.41667 26.49207       48.59428 
1 1 1 -13 44 3  o 81.41724 27.97848 259.2441       161.4361 489.5100       344.1741 194.2930       182.7918 96.75877 39.13707 73.45090 28.91207 23.30788       48.65817 
1 1 1 -13 44 4  o 129.0644 22.52870 589.1004       164.3266 1422.667       380.8007 398.3559       182.1603 177.4662 37.74916 99.15232 29.29508 78.31384       47.78286 
1 1 1 -13 44 5  o 64.80592 26.97484 116.4841       169.6037 680.0672       382.3591 -21.56647      189.2394 108.2682 42.04781 55.88385 25.59842 52.38440       49.22700 
1 1 1 -13 44 6  o 63.59296 27.14058 96.41103       178.7337 143.1048       430.6012 86.69154       196.4571 78.63324 36.89537 64.19997 27.93082 14.43327       46.27525 
1 1 1 -13 44 7  o 113.3274 26.34582 487.8600       171.7731 674.4960       378.0938 439.3194       192.8211 107.7138 41.81814 103.2415 30.04158 4.472282       51.49033 
1 1 1 -13 44 8  o 55.68720 25.06444 8.201391       171.8842 416.5067       377.3096 -98.72311      193.0830 90.15238 38.96642 51.74218 24.41038 38.41020       45.98096 
1 1 1 -13 44 9  o 63.95165 26.75349 112.6477       168.0727 49.36774       373.1268 128.7555       188.2525 72.36746 34.07705 66.77261 28.14705 5.594856       44.19844 
1 1 1 -13 44 10 o 104.1895 27.40160 427.7289       169.6396 155.9833       376.3713 497.0089       190.0375 76.44463 35.40458 110.9290 28.91910 -34.48442      45.71431 
1 1 1 -12 0  1  o 118.1555 23.19289 454.7332       143.0509 454.7332       143.0509 454.7332       143.0509 118.1555 23.19289 118.1555 23.19289 0.000000       0.000000 
1 1 1 -12 0  2  o 705.3502 17.18630 14642.44       709.9942 14642.44       709.9942 14642.44       709.9942 705.3502 17.18630 705.3502 17.18630 0.000000       0.000000 
1 1 1 -12 0  3  o 571.2618 14.57983 9600.832       487.7512 9600.832       487.7512 9600.832       487.7512 571.2618 14.57983 571.2618 14.57983 0.000000       0.000000 
1 1 1 -12 0  4  o 527.9380 13.83790 8199.289       427.7882 8199.289       427.7882 8199.289       427.7882 527.9380 13.83790 527.9380 13.83790 0.000000       0.000000 
1 1 1 -12 0  5  o 844.3125 19.97920 20986.88       988.0577 20986.88       988.0577 20986.88       988.0577 844.3125 19.97920 844.3125 19.97920 0.000000       0.000000 
1 1 1 -12 0  6  o 743.1837 17.89513 16252.62       778.9551 16252.62       778.9551 16252.62       778.9551 743.1837 17.89513 743.1837 17.89513 0.000000       0.000000 
1 1 1 -12 0  7  o 582.8525 14.82602 9992.498       506.0556 9992.498       506.0556 9992.498       506.0556 582.8525 14.82602 582.8525 14.82602 0.000000       0.000000 
1 1 1 -12 0  8  o 500.0728 13.27948 7355.062       388.8412 7355.062       388.8412 7355.062       388.8412 500.0728 13.27948 500.0728 13.27948 0.000000       0.000000 
1 1 1 -12 0  9  o 33.05300 21.83890 -25.53411      109.7547 -25.53411      109.7547 -25.53411      109.7547 33.05300 21.83890 33.05300 21.83890 0.000000       0.000000 
1 1 1 -12 0  10 o 70.05682 29.28456 203.4622       120.4679 203.4622       120.4679 203.4622       120.4679 70.05682 29.28456 70.05682 29.28456 0.000000       0.000000 
1 1 1 -12 0  11 o 994.6094 23.15013 29133.35       1348.729 29133.35       1348.729 29133.35       1348.729 994.6094 23.15013 994.6094 23.15013 0.000000       0.000000 
1 1 1 -12 0  12 o 35.31601 23.27443 -25.47207      123.4068 -25.47207      123.4068 -25.47207      123.4068 35.31601 23.27443 35.31601 23.27443 0.000000       0.000000 
1 1 1 -12 0  13 f 345.3845 12.05067 3513.525       243.4237 3513.525       243.4237 3513.525       243.4237 345.3845 12.05067 345.3845 12.05067 0.000000       0.000000 
1 1 1 -12 0  14 o 1319.831 30.30605 51423.75       2343.045 51423.75       2343.045 51423.75       2343.045 1319.831 30.30605 1319.831 30.30605 0.000000       0.000000 
1 1 1 -12 0  15 o 631.4031 15.96747 11730.54       590.4258 11730.54       590.4258 11730.54       590.4258 631.4031 15.96747 631.4031 15.96747 0.000000       0.000000 
1 1 1 -12 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  17 o 860.8079 20.38820 21826.65       1027.981 21826.65       1027.981 21826.65       1027.981 860.8079 20.38820 860.8079 20.38820 0.000000       0.000000 
1 1 1 -12 0  18 o 1027.178 23.86017 31121.71       1435.622 31121.71       1435.622 31121.71       1435.622 1027.178 23.86017 1027.178 23.86017 0.000000       0.000000 
1 1 1 -12 0  19 o 178.0222 13.05883 945.5812       134.6192 945.5812       134.6192 945.5812       134.6192 178.0222 13.05883 178.0222 13.05883 0.000000       0.000000 
1 1 1 -12 0  20 o 318.4444 10.98728 2987.787       204.6442 2987.787       204.6442 2987.787       204.6442 318.4444 10.98728 318.4444 10.98728 0.000000       0.000000 
1 1 1 -12 0  21 o 325.6271 10.72221 3123.421       204.2614 3123.421       204.2614 3123.421       204.2614 325.6271 10.72221 325.6271 10.72221 0.000000       0.000000 
1 1 1 -12 0  22 o 458.5418 12.35878 6191.233       331.8115 6191.233       331.8115 6191.233       331.8115 458.5418 12.35878 458.5418 12.35878 0.000000       0.000000 
1 1 1 -12 0  23 o 290.9835 10.27932 2496.067       174.9246 2496.067       174.9246 2496.067       174.9246 290.9835 10.27932 290.9835 10.27932 0.000000       0.000000 
1 1 1 -12 0  24 o 346.1321 10.58532 3529.754       214.4250 3529.754       214.4250 3529.754       214.4250 346.1321 10.58532 346.1321 10.58532 0.000000       0.000000 
1 1 1 -12 0  25 o 152.8615 11.81137 699.1722       104.3959 699.1722       104.3959 699.1722       104.3959 152.8615 11.81137 152.8615 11.81137 0.000000       0.000000 
1 1 1 -12 0  26 o 23.25474 16.23180 -78.17370      80.79828 -78.17370      80.79828 -78.17370      80.79828 23.25474 16.23180 23.25474 16.23180 0.000000       0.000000 
1 1 1 -12 0  27 o 124.4855 13.53611 472.1555       95.86320 472.1555       95.86320 472.1555       95.86320 124.4855 13.53611 124.4855 13.53611 0.000000       0.000000 
1 1 1 -12 0  28 o 28.69846 18.90310 -15.37229      81.23474 -15.37229      81.23474 -15.37229      81.23474 28.69846 18.90310 28.69846 18.90310 0.000000       0.000000 
1 1 1 -12 0  29 o 26.70080 18.18549 -49.90768      87.44036 -49.90768      87.44036 -49.90768      87.44036 26.70080 18.18549 26.70080 18.18549 0.000000       0.000000 
1 1 1 -12 0  30 o 83.79921 23.84367 252.2979       101.5113 252.2979       101.5113 252.2979       101.5113 83.79921 23.84367 83.79921 23.84367 0.000000       0.000000 
1 1 1 -12 0  31 o 51.09365 27.11815 112.6430       109.4645 112.6430       109.4645 112.6430       109.4645 51.09365 27.11815 51.09365 27.11815 0.000000       0.000000 
1 1 1 -12 0  32 o 316.8076 11.05297 2963.397       204.7970 2963.397       204.7970 2963.397       204.7970 316.8076 11.05297 316.8076 11.05297 0.000000       0.000000 
1 1 1 -12 0  33 o 189.3638 10.84398 1065.316       119.5195 1065.316       119.5195 1065.316       119.5195 189.3638 10.84398 189.3638 10.84398 0.000000       0.000000 
1 1 1 -12 0  34 o 39.49577 24.61783 30.99299       115.7812 30.99299       115.7812 30.99299       115.7812 39.49577 24.61783 39.49577 24.61783 0.000000       0.000000 
1 1 1 -12 0  35 o 121.7744 19.58695 472.4572       129.0422 472.4572       129.0422 472.4572       129.0422 121.7744 19.58695 121.7744 19.58695 0.000000       0.000000 
1 1 1 -12 0  36 o 196.6027 12.47480 1154.219       142.4938 1154.219       142.4938 1154.219       142.4938 196.6027 12.47480 196.6027 12.47480 0.000000       0.000000 
1 1 1 -12 0  37 o 26.56263 18.89279 -172.1265      127.1113 -172.1265      127.1113 -172.1265      127.1113 26.56263 18.89279 26.56263 18.89279 0.000000       0.000000 
1 1 1 -12 0  38 o 211.2311 13.01208 1334.325       159.7796 1334.325       159.7796 1334.325       159.7796 211.2311 13.01208 211.2311 13.01208 0.000000       0.000000 
1 1 1 -12 0  39 o 29.99838 20.66542 -83.63348      120.3480 -83.63348      120.3480 -83.63348      120.3480 29.99838 20.66542 29.99838 20.66542 0.000000       0.000000 
1 1 1 -12 0  40 o 52.75071 27.99710 125.8993       116.6735 125.8993       116.6735 125.8993       116.6735 52.75071 27.99710 52.75071 27.99710 0.000000       0.000000 
1 1 1 -12 0  41 o 271.6408 10.54464 2194.909       167.4118 2194.909       167.4118 2194.909       167.4118 271.6408 10.54464 271.6408 10.54464 0.000000       0.000000 
1 1 1 -12 0  42 o 72.78453 29.60365 229.8217       123.9458 229.8217       123.9458 229.8217       123.9458 72.78453 29.60365 72.78453 29.60365 0.000000       0.000000 
1 1 1 -12 0  43 o 50.37808 27.50377 116.6807       115.6006 116.6807       115.6006 116.6807       115.6006 50.37808 27.50377 50.37808 27.50377 0.000000       0.000000 
1 1 1 -12 0  44 o 98.11358 27.12772 359.3916       134.9922 359.3916       134.9922 359.3916       134.9922 98.11358 27.12772 98.11358 27.12772 0.000000       0.000000 
1 1 1 -12 0  45 o 42.51148 26.63050 50.07107       137.2613 50.07107       137.2613 50.07107       137.2613 42.51148 26.63050 42.51148 26.63050 0.000000       0.000000 
1 1 1 -12 0  46 o 25.95041 18.71829 -239.2586      144.2714 -239.2586      144.2714 -239.2586      144.2714 25.95041 18.71829 25.95041 18.71829 0.000000       0.000000 
1 1 1 -12 0  47 o 51.07666 29.83883 121.3385       148.8014 121.3385       148.8014 121.3385       148.8014 51.07666 29.83883 51.07666 29.83883 0.000000       0.000000 
1 1 1 -12 0  48 o 145.2729 18.19980 680.6786       148.4803 680.6786       148.4803 680.6786       148.4803 145.2729 18.19980 145.2729 18.19980 0.000000       0.000000 
1 1 1 -12 0  49 o 32.20947 23.26151 -344.9706      226.0923 -344.9706      226.0923 -344.9706      226.0923 32.20947 23.26151 32.20947 23.26151 0.000000       0.000000 
1 1 1 -12 0  50 o 40.42910 27.53831 -51.20843      200.6138 -51.20843      200.6138 -51.20843      200.6138 40.42910 27.53831 40.42910 27.53831 0.000000       0.000000 
1 1 1 -12 1  1  o 135.4120 12.71662 543.5145       99.80833 556.3124       138.0137 529.4833       144.5109 136.3421 17.67564 132.7270 19.11527 3.615143       26.03501 
1 1 1 -12 1  2  o 518.4625 9.729688 7891.742       295.8467 7988.931       420.7565 7796.709       416.0637 521.1525 13.77833 514.8386 13.79208 6.313904       19.49522 
1 1 1 -12 1  3  o 672.7295 11.65585 13293.15       459.8698 13130.63       645.5604 13460.59       655.2560 668.0474 16.47704 676.3833 16.51839 -8.335938      23.33131 
1 1 1 -12 1  4  o 767.1309 12.97699 17291.40       583.8400 17212.10       823.0479 17371.72       828.3262 764.6043 18.35430 768.1360 18.38708 -3.531738      25.98009 
1 1 1 -12 1  5  o 814.7467 13.64496 19506.92       651.9967 19369.79       917.1625 19647.02       927.0421 811.0199 19.28254 816.7905 19.35255 -5.770630      27.31918 
1 1 1 -12 1  6  o 778.2210 13.11111 17792.48       598.4019 17471.51       833.8796 18133.25       859.2255 770.4657 18.45438 784.8876 18.66591 -14.42194      26.24844 
1 1 1 -12 1  7  o 623.7037 10.95224 11421.35       400.6191 11469.45       568.2822 11373.84       564.8554 624.6248 15.51295 622.0187 15.48401 2.606018       21.91817 
1 1 1 -12 1  8  f 424.7294 8.619542 5293.803       214.7074 5350.909       304.1965 5237.112       303.0907 426.6842 12.16861 422.1120 12.25616 4.572235       17.27103 
1 1 1 -12 1  9  o 255.6320 7.936954 1919.277       118.8483 1902.465       167.4188 1936.356       168.7429 254.3050 11.25319 256.5653 11.24172 -2.260315      15.90630 
1 1 1 -12 1  10 o 26.74199 13.27824 -195.9942      80.01653 -225.4669      111.0006 -164.1105      115.4515 33.53440 16.45734 37.92612 18.16770 -4.391720      24.51346 
1 1 1 -12 1  11 o 430.7834 8.733650 5445.912       220.6507 5476.600       316.3258 5416.829       307.9376 431.6417 12.50890 429.2995 12.24322 2.342163       17.50340 
1 1 1 -12 1  12 o 785.1706 13.24802 18110.80       610.0499 18097.74       862.2502 18123.89       863.2324 784.1740 18.74867 784.7391 18.75650 -0.5651855     26.52016 
1 1 1 -12 1  13 o 271.6855 8.827670 2168.575       140.4708 2277.712       198.9440 2060.069       198.3688 278.2107 12.22272 264.5085 12.82565 13.70218       17.71700 
1 1 1 -12 1  14 o 975.2327 16.09660 27970.41       920.6464 27982.76       1303.151 27958.11       1300.833 974.0240 22.81259 973.6024 22.78188 0.4215698      32.24016 
1 1 1 -12 1  15 o 527.4446 10.14519 8167.793       313.8250 7901.210       434.6536 8458.100       453.5823 518.2564 14.31410 536.2081 14.43669 -17.95172      20.33006 
1 1 1 -12 1  16 o 387.7624 8.796088 4413.449       200.0349 4427.000       279.2878 4399.176       286.6397 387.9827 12.28958 386.7264 12.65515 1.256348       17.64048 
1 1 1 -12 1  17 o 774.0233 13.06046 17609.23       592.8748 17166.60       821.8079 18089.63       856.1494 763.3673 18.35635 783.5673 18.63042 -20.20001      26.15431 
1 1 1 -12 1  18 o 503.0306 9.422035 7430.055       277.9647 7391.612       391.3792 7469.183       394.8466 501.2160 13.32625 503.8348 13.37439 -2.618835      18.88023 
1 1 1 -12 1  19 o 537.7704 9.777480 8494.448       308.3716 8755.627       445.6407 8254.491       427.1531 545.3314 13.94538 529.5121 13.76657 15.81927       19.59571 
1 1 1 -12 1  20 o 270.0717 8.720202 2144.303       137.9388 2079.063       171.3963 2264.245       232.3949 265.7225 11.02215 276.9409 14.35735 -11.21832      18.10032 
1 1 1 -12 1  21 o 298.7701 8.739332 2624.322       152.9674 2615.307       184.9033 2643.870       272.2881 298.0755 10.59398 299.0462 15.57901 -0.9707031     18.83980 
1 1 1 -12 1  22 o 73.41150 15.92602 165.1748       66.59230 182.8730       94.93729 148.0333       93.43221 77.20550 20.58986 70.26727 21.03494 6.938232       29.43486 
1 1 1 -12 1  23 o 282.3266 7.154757 2342.432       118.3715 2341.722       168.4290 2343.125       166.3946 281.9683 10.20194 282.0682 10.07471 -0.9988403E-01 14.33804 
1 1 1 -12 1  24 o 71.63947 14.70524 157.0924       59.71224 178.1247       85.77129 137.3116       83.18005 76.00278 19.23043 67.38660 19.76588 8.616180       27.57716 
1 1 1 -12 1  25 o 222.0932 7.191912 1450.790       93.55287 1464.370       133.1029 1437.530       131.5188 222.7911 10.21401 220.7392 10.18662 2.051880       14.42544 
1 1 1 -12 1  26 o 467.2676 8.767823 6423.383       240.2746 6633.212       347.4627 6231.095       332.6222 473.8799 12.51324 459.3227 12.35884 14.55725       17.58755 
1 1 1 -12 1  27 o 29.14538 13.61374 -55.53451      57.52908 -75.62383      83.36864 -37.27240      79.48691 35.42811 16.49501 38.01741 17.08360 -2.589302      23.74731 
1 1 1 -12 1  28 o 133.7486 9.141487 529.1898       71.27512 488.4141       100.7823 569.9913       100.8142 127.7535 13.66310 138.3170 12.56481 -10.56353      18.56219 
1 1 1 -12 1  29 o 325.6458 7.489009 3118.757       143.0278 3112.375       202.1681 3125.151       202.3757 324.6609 10.63208 325.3296 10.62103 -0.6687012     15.02823 
1 1 1 -12 1  30 o 279.1607 7.486910 2293.569       122.4659 2297.603       174.0443 2289.613       172.3540 278.8866 10.66061 278.4170 10.57463 0.4696045      15.01571 
1 1 1 -12 1  31 o 349.6800 7.943320 3597.351       162.9009 3527.730       228.4230 3669.406       232.3813 345.5248 11.28738 352.4087 11.25801 -6.883911      15.94201 
1 1 1 -12 1  32 o 192.7842 8.491714 1096.123       95.77464 788.5220       259.6634 1144.559       103.0397 158.2792 29.04277 196.9449 8.944263 -38.66565      30.38885 
1 1 1 -12 1  33 o 188.1512 8.442163 1044.410       92.91882 1203.642       241.6825 1016.791       100.6553 199.0693 21.01789 185.5239 9.280416 13.54541       22.97559 
1 1 1 -12 1  34 o 49.24811 18.96520 49.26142       77.30074 -13.93039      102.7088 131.8196       117.3971 46.43185 20.19810 68.81400 23.84960 -22.38214      31.25327 
1 1 1 -12 1  35 o 94.64655 15.73783 274.2296       84.29099 177.1949       113.2077 394.9488       126.2701 75.94598 23.24413 112.9167 19.78834 -36.97073      30.52652 
1 1 1 -12 1  36 o 125.1857 11.84656 468.8680       85.94091 418.8942       121.8655 518.3095       121.2147 116.5951 18.43383 130.6181 16.16836 -14.02299      24.51983 
1 1 1 -12 1  37 o 305.0651 7.017551 2741.155       125.5535 2871.098       181.0116 2620.672       174.2975 311.3696 9.925097 297.4425 10.00591 13.92709       14.09346 
1 1 1 -12 1  38 o 165.7835 9.990578 817.0201       96.68576 725.4222       133.9559 916.6324       139.6932 154.8601 14.93434 174.6125 13.75202 -19.75240      20.30154 
1 1 1 -12 1  39 o 368.4489 7.422522 4007.092       160.3907 3886.582       222.1068 4138.418       231.8610 361.5433 10.48600 373.0215 10.60925 -11.47812      14.91685 
1 1 1 -12 1  40 o 52.45593 20.39317 59.49518       90.01218 37.64520       124.4706 83.44849       130.3239 55.53442 23.11159 61.92001 24.40049 -6.385590      33.60847 
1 1 1 -12 1  41 o 165.2040 9.726449 816.5455       93.82086 934.4733       137.5959 714.0762       128.2608 175.2094 13.49442 152.5890 14.50675 22.62045       19.81276 
1 1 1 -12 1  42 o 143.5128 10.75520 621.3283       89.86469 696.7565       122.0284 531.9508       132.8337 150.6191 13.97369 129.5264 17.96975 21.09270       22.76348 
1 1 1 -12 1  43 o 93.18974 17.24485 278.5402       90.77885 297.7951       124.4713 256.6609       132.6832 93.78091 22.84520 86.31568 24.86219 7.465225       33.76435 
1 1 1 -12 1  44 o 91.33377 18.26370 272.7399       94.40881 377.6525       134.4907 170.8198       132.5587 105.4129 22.44324 71.97966 25.31608 33.43329       33.83198 
1 1 1 -12 1  45 o 196.7400 9.302135 1164.748       107.0272 1060.665       144.6360 1290.715       159.1167 185.1971 13.40732 204.4232 13.34492 -19.22606      18.91674 
1 1 1 -12 1  46 o 59.82720 21.73765 110.6001       98.55513 84.07944       146.5555 132.4947       133.1613 61.00562 25.20537 65.56904 24.98112 -4.563416      35.48757 
1 1 1 -12 1  47 o 115.6331 16.36696 432.9241       107.8956 516.4169       155.7400 355.8655       149.6187 121.5913 22.67360 98.07581 25.70514 23.51545       34.27603 
1 1 1 -12 1  48 o 231.4910 9.227490 1621.111       125.0251 1695.802       187.3020 1561.087       167.9079 232.4362 13.80219 223.9817 12.83603 8.454544       18.84845 
1 1 1 -12 1  49 o 108.3659 19.49982 401.2285       119.3728 420.5002       172.7181 383.6040       165.1718 103.3304 27.86727 98.87799 27.49126 4.452377       39.14530 
1 1 1 -12 1  50 o 142.8560 18.25920 683.1600       149.4862 718.0580       190.9393 627.8983       240.2742 140.5678 24.02341 119.8962 33.08984 20.67163       40.89085 
1 1 1 -12 2  1  o 172.9652 11.93208 882.9799       120.2973 836.4371       198.3162 910.0756       151.3150 167.2011 20.66332 175.3064 14.85728 -8.105286      25.45018 
1 1 1 -12 2  2  o 858.8105 14.32900 21682.44       721.7117 21641.22       1019.214 21723.89       1022.101 856.9144 20.28044 858.5453 20.29926 -1.630981      28.69418 
1 1 1 -12 2  3  o 156.0635 11.35315 719.0764       103.2019 745.6829       143.8456 690.8544       148.1486 158.4645 15.68347 152.3100 16.86749 6.154480       23.03222 
1 1 1 -12 2  4  o 555.5720 10.12186 9061.907       329.8004 8999.457       465.1519 9125.037       467.6747 553.1364 14.35090 556.9875 14.32876 -3.851135      20.27958 
1 1 1 -12 2  5  o 323.1921 8.152602 3067.189       154.4048 3117.201       216.9726 3015.875       219.7770 325.6071 11.37964 320.2385 11.72173 5.368622       16.33692 
1 1 1 -12 2  6  o 643.1061 11.22429 12144.17       423.3427 11997.81       592.7242 12296.59       604.8541 638.7968 15.82120 646.6882 15.94796 -7.891357      22.46437 
1 1 1 -12 2  7  o 660.7537 11.44787 12819.87       443.6239 12575.43       618.1743 13079.44       637.0074 653.9926 16.11712 666.9507 16.28547 -12.95813      22.91240 
1 1 1 -12 2  8  o 191.1107 8.969096 1074.209       100.2469 1115.568       138.8826 1029.221       144.8464 194.5195 12.23601 186.7105 13.31521 7.809067       18.08355 
1 1 1 -12 2  9  o 210.1161 8.392243 1297.568       103.2080 1364.510       145.4560 1229.694       146.4656 215.2634 11.56399 204.2617 12.28314 11.00168       16.87014 
1 1 1 -12 2  10 o 203.5926 8.513772 1218.462       101.4320 1229.686       144.5354 1207.569       142.3819 204.2742 12.11899 202.4283 12.04764 1.845840       17.08847 
1 1 1 -12 2  11 o 394.2018 8.411469 4560.025       194.4648 4455.798       273.5609 4666.499       276.4922 389.3436 11.99468 398.4628 11.84478 -9.119232      16.85738 
1 1 1 -12 2  12 o 641.9999 11.25941 12102.18       423.9367 11943.40       595.6299 12265.21       603.5222 637.1532 15.95232 645.8827 15.93269 -8.729492      22.54611 
1 1 1 -12 2  13 o 312.7530 11.46274 2876.214       209.8964 2917.325       281.3781 2824.638       315.1633 314.6479 15.29388 309.3683 17.44101 5.279602       23.19680 
1 1 1 -12 2  14 o 668.4667 11.76742 13123.77       461.3299 12692.99       638.2448 13595.07       667.5814 656.6913 16.58529 679.8199 16.74402 -23.12866      23.56765 
1 1 1 -12 2  15 o 281.3427 8.980334 2325.688       147.9865 2310.455       203.7080 2342.712       215.3456 280.1646 12.42872 282.0627 13.05326 -1.898041      18.02389 
1 1 1 -12 2  16 o 714.3759 12.30939 14993.94       515.7199 14866.72       726.4734 15123.18       732.2369 710.6478 17.43070 716.7529 17.41934 -6.105164      24.64270 
1 1 1 -12 2  17 o 342.7739 8.159029 3448.534       164.0200 3477.183       233.2251 3420.500       230.7139 343.8409 11.58211 341.0262 11.55215 2.814606       16.35840 
1 1 1 -12 2  18 o 173.1953 9.309684 883.3167       94.21557 792.5069       130.5027 982.1690       136.1591 163.5900 13.72882 182.3379 12.81426 -18.74786      18.77993 
1 1 1 -12 2  19 o 94.20738 14.88820 267.5847       79.52795 235.1635       107.0976 307.4380       118.7403 87.47746 21.11740 100.1760 20.88834 -12.69855      29.70298 
1 1 1 -12 2  20 o 579.3962 14.68709 9893.102       498.6681 9757.445       708.1509 10026.54       702.3314 573.9009 21.07544 581.8989 20.61249 -7.997986      29.47963 
1 1 1 -12 2  21 o 522.1479 13.40179 8033.021       410.0604 8049.277       574.0950 8016.090       585.9116 521.4786 18.80218 520.2885 19.23471 1.190125       26.89788 
1 1 1 -12 2  22 o 200.2752 7.658544 1179.714       89.78896 1179.058       127.1891 1180.366       126.7734 199.9143 10.88926 200.0301 10.84702 -0.1157990     15.36990 
1 1 1 -12 2  23 o 165.6286 7.878003 807.7592       76.30537 830.7306       109.2787 785.9021       106.5955 167.6286 11.17960 163.0179 11.21783 4.610641       15.83740 
1 1 1 -12 2  24 o 122.5375 9.467428 444.2831       67.51070 420.1961       97.82007 466.1909       93.29004 118.4342 14.37728 125.0758 12.90275 -6.641632      19.31805 
1 1 1 -12 2  25 o 212.1113 7.220417 1323.493       89.68978 1404.584       127.7511 1244.674       125.9491 218.2098 10.00917 205.3228 10.49423 12.88704       14.50215 
1 1 1 -12 2  26 f 157.2202 8.118020 728.7863       74.59945 791.4572       109.2037 673.9517       102.1484 163.4350 11.46585 150.7254 11.64592 12.70958       16.34299 
1 1 1 -12 2  27 o 57.36875 16.90120 99.40912       60.70404 31.16599       87.77441 161.9749       84.04401 48.79452 19.75429 72.43139 19.39778 -23.63687      27.68584 
1 1 1 -12 2  28 o 416.8759 8.242253 5113.491       201.5131 5155.510       287.3432 5072.826       282.6792 417.6916 11.74156 414.3522 11.64406 3.339355       16.53628 
1 1 1 -12 2  29 o 94.74569 12.53916 269.8904       67.96631 332.1665       100.5360 217.4713       92.23708 104.3613 17.01143 83.69521 19.20002 20.66607       25.65209 
1 1 1 -12 2  30 o 548.8093 9.906854 8877.496       318.8657 8878.115       452.5964 8876.886       449.3099 547.2134 14.11453 547.2189 14.01173 -0.5554199E-02 19.88840 
1 1 1 -12 2  31 o 211.4188 7.646629 1316.394       94.65602 1222.062       251.9033 1331.904       102.1414 200.6073 21.75901 212.5928 8.207661 -11.98543      23.25554 
1 1 1 -12 2  32 o 277.1117 7.512943 2260.234       121.9873 2049.159       295.0252 2303.763       133.9765 261.0594 19.40830 279.6735 8.176989 -18.61407      21.06051 
1 1 1 -12 2  33 o 241.6379 7.658258 1719.694       108.3919 1688.017       269.6780 1725.798       118.3744 236.5540 19.61478 241.9666 8.354182 -5.412552      21.31976 
1 1 1 -12 2  34 o 450.5118 8.140989 5977.131       215.0968 5646.894       473.7729 6062.874       241.4112 433.5847 18.67520 453.4962 9.076811 -19.91147      20.76419 
1 1 1 -12 2  35 o 351.6571 7.721982 3642.391       159.2570 3611.243       206.7654 3687.821       249.7109 349.4587 10.09921 352.5102 12.09649 -3.051422      15.75814 
1 1 1 -12 2  36 o 164.9227 9.530269 806.2262       91.78728 776.8903       134.7681 831.6077       125.3560 160.7666 14.44749 166.7720 12.91718 -6.005417      19.37998 
1 1 1 -12 2  37 o 142.2216 11.25268 603.5511       93.09384 512.7806       131.0977 695.8806       132.2186 129.3032 17.75602 151.7997 15.04944 -22.49646      23.27578 
1 1 1 -12 2  38 o 216.0557 8.685587 1381.651       109.8321 1358.089       156.0269 1404.794       154.6345 213.1355 12.53764 216.8885 12.20606 -3.753036      17.49801 
1 1 1 -12 2  39 o 34.25365 16.27344 -104.6020      88.72096 -97.00900      129.1718 -111.3830      122.0700 44.61409 20.68986 42.03310 19.69737 2.580997       28.56671 
1 1 1 -12 2  40 o 90.75825 16.49314 258.2701       84.55630 332.6549       115.7100 173.0271       123.8677 101.9454 20.06794 74.20007 24.50519 27.74535       31.67375 
1 1 1 -12 2  41 o 58.02614 20.13161 98.97435       83.65725 71.36519       114.1101 131.0575       123.0088 57.56942 22.78654 67.03332 24.29530 -9.463898      33.30898 
1 1 1 -12 2  42 o 173.7836 9.284417 903.6039       94.28328 769.6408       132.1889 1042.323       134.5149 158.1175 14.41319 185.2456 12.45383 -27.12817      19.04831 
1 1 1 -12 2  43 o 37.38253 17.25268 -57.25471      88.23042 -64.39780      122.3939 -49.52698      127.3042 44.56524 20.47771 46.71995 21.24486 -2.154705      29.50730 
1 1 1 -12 2  44 o 80.13586 19.62466 214.1639       91.48391 279.6250       131.4487 152.6714       127.4018 89.39740 24.39629 69.03022 24.76354 20.36718       34.76222 
1 1 1 -12 2  45 o 112.8997 14.77426 401.8829       95.47990 315.1727       126.7999 515.4290       145.1009 95.26484 22.96562 124.3072 20.62580 -29.04239      30.86816 
1 1 1 -12 2  46 o 50.74585 21.39037 36.86935       108.7138 124.3687       177.4118 -15.74127      137.5678 67.89402 27.85834 50.31074 22.55165 17.58328       35.84221 
1 1 1 -12 2  47 o 52.63961 21.27270 62.95444       101.5808 7.020836       139.6982 125.7102       147.9726 52.19722 23.10132 65.18121 25.90041 -12.98399      34.70594 
1 1 1 -12 2  48 o 142.4077 13.32279 636.4951       109.9787 651.2725       161.5642 623.7351       150.1310 138.1925 20.56000 136.2834 19.32481 1.909119       28.21634 
1 1 1 -12 2  49 o 44.58255 20.09120 -18.96620      110.8321 4.642770       153.0847 -44.97302      160.6708 53.15710 23.81140 50.61177 23.33079 2.545322       33.33630 
1 1 1 -12 2  50 o 64.33221 23.86889 140.9438       119.8273 208.6661       161.8722 58.84372       178.2289 74.19376 27.70056 60.04461 26.35194 14.14915       38.23278 
1 1 1 -12 3  1  o 692.5025 13.79240 14094.26       560.1594 14304.03       974.3349 13990.70       684.6128 695.6644 23.91687 689.5605 16.92864 6.103943       29.30180 
1 1 1 -12 3  2  o 440.8385 8.923569 5704.102       230.7112 6006.623       336.8304 5436.740       316.6532 451.9810 12.71958 430.0020 12.56983 21.97903       17.88262 
1 1 1 -12 3  3  o 679.7562 11.77015 13571.36       469.2299 13593.54       664.5356 13549.30       662.6508 679.7639 16.66901 678.6597 16.64877 1.104187       23.55923 
1 1 1 -12 3  4  o 92.76769 16.94871 261.0523       88.81439 289.1042       118.2866 224.8002       134.4688 97.16932 21.34163 86.39484 25.07233 10.77448       32.92547 
1 1 1 -12 3  5  o 437.1179 8.798885 5607.657       225.5676 5519.729       316.5574 5698.353       321.5016 433.3162 12.46950 440.2778 12.46359 -6.961639      17.63035 
1 1 1 -12 3  6  o 790.8250 13.29878 18373.01       616.7978 18251.20       866.1728 18498.33       878.5261 787.4835 18.75481 792.7753 18.89531 -5.291809      26.62284 
1 1 1 -12 3  7  o 927.1719 15.30334 25267.71       832.1412 24609.39       1152.438 25984.87       1202.830 913.9655 21.49993 939.0908 21.83967 -25.12531      30.64667 
1 1 1 -12 3  8  o 251.4556 7.938662 1857.137       116.9269 1842.828       161.2854 1872.989       169.7592 250.2965 11.01424 252.3051 11.50272 -2.008575      15.92564 
1 1 1 -12 3  9  o 246.9032 8.066942 1790.660       116.6548 1764.769       162.0771 1818.489       168.0339 244.9066 11.31477 248.5961 11.55692 -3.689545      16.17364 
1 1 1 -12 3  10 o 529.0637 9.721694 8215.676       301.6479 8194.764       426.0279 8236.699       427.1636 527.9626 13.77068 529.3126 13.77211 -1.349976      19.47569 
1 1 1 -12 3  11 o 725.0219 12.38588 15438.30       526.6576 15543.33       750.3243 15336.30       739.4083 726.9075 17.60027 722.0681 17.46046 4.839417       24.79188 
1 1 1 -12 3  12 o 346.0111 8.396323 3513.359       170.3844 3333.991       238.6315 3699.902       243.3577 336.7121 12.10391 354.7615 11.71262 -18.04935      16.84310 
1 1 1 -12 3  13 o 527.8891 9.987710 8180.490       309.2140 8075.784       435.5631 8286.878       439.0469 524.0189 14.18578 530.8359 14.11515 -6.817017      20.01185 
1 1 1 -12 3  14 o 1333.590 21.59170 52428.96       1688.727 52078.39       2375.804 52786.95       2400.834 1325.607 30.55944 1334.541 30.67466 -8.934204      43.29913 
1 1 1 -12 3  15 o 797.6609 13.52706 18699.05       632.8085 18505.69       889.4926 18897.22       900.4611 792.6482 19.13424 800.9831 19.16863 -8.334900      27.08423 
1 1 1 -12 3  16 o 600.0349 10.82546 10573.87       380.9547 10233.15       528.7961 10941.52       549.2908 589.6443 15.30435 609.7145 15.37347 -20.07013      21.69255 
1 1 1 -12 3  17 o 756.4015 12.85009 16816.18       570.0448 17019.03       816.2693 16623.08       796.4269 760.0475 18.31227 751.1989 18.07759 8.848633       25.73205 
1 1 1 -12 3  18 o 344.4159 7.976703 3481.929       161.1228 3402.177       229.6444 3559.252       226.1207 340.0700 11.53097 347.8811 11.09723 -7.811157      16.00349 
1 1 1 -12 3  19 o 91.44878 15.16221 252.7372       78.47194 290.4477       105.0106 205.0483       118.0894 97.55666 19.03745 82.19590 23.38510 15.36076       30.15439 
1 1 1 -12 3  20 o 439.3439 8.641987 5668.877       222.6736 5654.500       315.7621 5683.099       314.0608 438.2710 12.29692 439.3923 12.19920 -1.121246      17.32151 
1 1 1 -12 3  21 o 370.3051 8.927782 4028.560       193.8893 3741.620       312.2804 4208.564       247.3380 355.9604 14.99222 378.1258 11.16555 -22.16534      18.69321 
1 1 1 -12 3  22 o 49.51899 17.20190 64.96514       61.08925 60.38342       84.23087 70.04954       88.73122 52.84891 19.92916 55.30209 20.53565 -2.453182      28.61616 
1 1 1 -12 3  23 o 157.2999 8.182055 729.0183       75.22219 726.1629       105.7734 731.9402       106.9976 156.6165 11.59795 157.2302 11.68704 -0.6136780     16.46510 
1 1 1 -12 3  24 o 480.2360 8.926681 6781.829       251.4174 6827.435       358.1993 6737.544       352.9740 480.9927 12.70915 477.8381 12.60640 3.154633       17.90094 
1 1 1 -12 3  25 o 128.6899 9.132254 489.6439       68.47665 596.1902       100.6011 397.6621       93.47258 141.6567 12.22880 115.1610 14.13592 26.49576       18.69139 
1 1 1 -12 3  26 o 291.9569 7.213446 2505.134       123.5128 2342.777       172.1354 2677.432       177.3272 281.8034 10.43336 301.3481 10.04764 -19.54474      14.48482 
1 1 1 -12 3  27 o 183.7043 7.646821 994.0734       82.20535 1042.068       117.7870 948.4957       114.7830 187.6909 10.74540 179.0010 10.98674 8.689880       15.36789 
1 1 1 -12 3  28 o 297.8112 7.233226 2607.667       126.3350 2617.833       182.9861 2598.409       174.6357 297.7751 10.49442 296.7503 10.04889 1.024811       14.52974 
1 1 1 -12 3  29 o 292.6679 7.378664 2520.467       126.5485 2475.463       181.1044 2563.407       176.9027 289.4899 10.68540 294.6786 10.25174 -5.188629      14.80797 
1 1 1 -12 3  30 o 516.4191 8.628317 7850.804       261.3237 7828.184       590.9548 7856.302       291.3589 511.1279 19.75115 516.3560 9.621183 -5.228058      21.96986 
1 1 1 -12 3  31 o 128.5081 11.11703 490.9340       82.96249 647.2825       235.7994 468.8456       88.62926 143.1327 29.08312 125.3833 12.20714 17.74947       31.54112 
1 1 1 -12 3  32 o 86.62302 15.84699 229.7197       77.54063 -58.00006      233.7313 265.3019       82.19561 67.40053 29.85308 93.30839 15.56846 -25.90786      33.66873 
1 1 1 -12 3  33 o 236.4572 7.486468 1646.553       103.6890 1603.410       267.6107 1654.174       112.4749 230.3534 20.00704 236.9177 8.106767 -6.564285      21.58706 
1 1 1 -12 3  34 o 128.4854 11.06176 491.4747       82.54370 758.4066       232.5898 453.0112       88.29070 155.4321 26.46251 123.0722 12.40112 32.35992       29.22417 
1 1 1 -12 3  35 o 264.7291 9.299355 2070.967       144.1551 2025.984       299.5695 2084.522       164.4467 258.3086 19.92860 265.2935 10.59063 -6.984894      22.56791 
1 1 1 -12 3  36 o 51.68280 19.61294 59.43218       81.88021 160.3502       109.6734 -67.65409      123.0739 72.60661 22.98357 45.89110 20.87613 26.71550       31.04927 
1 1 1 -12 3  37 o 109.2674 13.41010 360.8923       84.13584 345.4013       115.2512 378.5677       123.1092 105.2279 19.38935 110.1621 19.78193 -4.934151      27.69967 
1 1 1 -12 3  38 o 225.6982 8.109967 1505.885       107.1744 1665.027       154.9051 1359.756       148.4368 236.4907 11.20049 213.4495 11.90474 23.04115       16.34545 
1 1 1 -12 3  39 o 118.8036 12.90140 426.9594       88.44958 495.7501       119.9674 345.0316       130.9225 126.9655 16.50117 103.6334 22.20879 23.33208       27.66801 
1 1 1 -12 3  40 o 191.3127 8.674591 1087.760       97.07602 1168.803       140.0455 1012.803       134.6838 197.0744 12.17628 183.2297 12.61031 13.84471       17.52945 
1 1 1 -12 3  41 o 188.6976 8.773237 1060.957       96.82473 992.8256       135.1899 1132.715       138.7409 180.8976 12.82585 193.5366 12.28680 -12.63899      17.76142 
1 1 1 -12 3  42 o 178.8632 9.140835 956.6198       95.56850 915.7819       134.4381 998.3394       135.8820 173.1168 13.34428 181.0346 12.88240 -7.917831      18.54794 
1 1 1 -12 3  43 o 69.10863 20.98668 157.0812       92.52525 248.4810       132.4478 69.96140       129.3096 84.88525 24.95359 58.78212 23.91098 26.10313       34.56033 
1 1 1 -12 3  44 o 124.9644 13.29134 483.4395       95.91774 529.6154       130.3434 428.8989       141.6582 128.3156 17.79910 112.5485 22.24995 15.76715       28.49331 
1 1 1 -12 3  45 o 215.9896 12.58608 1433.088       158.7406 0.000000       0.000000 1433.088       158.7406 ?        ?        215.9896 12.58608 0.000000       12.58608 
1 1 1 -12 3  46 o 156.9751 11.78898 757.2867       107.7390 565.2664       148.1392 972.9005       156.9765 130.0161 20.07336 175.2764 15.42805 -45.26024      25.31728 
1 1 1 -12 3  47 o 173.9001 11.13076 926.9941       112.9247 904.4186       155.7507 952.0137       163.9651 167.9696 16.00381 171.9454 16.46035 -3.975739      22.95789 
1 1 1 -12 3  48 o 246.7366 8.780035 1836.312       126.8492 1800.052       178.7004 1873.139       180.0913 240.6613 12.70604 245.6885 12.53996 -5.027145      17.85201 
1 1 1 -12 3  49 o 62.47351 23.16425 129.0080       112.8232 92.80119       149.1916 177.3736       172.4321 60.68031 25.28194 71.08788 28.05036 -10.40757      37.76240 
1 1 1 -12 3  50 o 55.12593 22.75394 71.79594       119.2777 37.00583       157.3871 118.7408       182.8249 56.05693 24.67696 65.41884 27.66557 -9.361908      37.07203 
1 1 1 -12 4  1  o 475.3751 10.60420 6635.046       295.6411 6799.405       507.8903 6550.815       363.5886 480.3133 18.06214 472.0056 13.14728 8.307709       22.34036 
1 1 1 -12 4  2  o 628.4502 12.75370 11602.56       470.0647 11532.07       801.5043 11639.52       580.3517 625.0532 21.89827 629.1519 15.72843 -4.098694      26.96141 
1 1 1 -12 4  3  o 685.2046 11.84996 13789.01       476.1980 13428.40       659.1583 14182.69       688.7043 675.6784 16.63409 694.3604 16.91209 -18.68201      23.72155 
1 1 1 -12 4  4  o 839.5493 14.03358 20712.37       690.9797 20989.18       986.5366 20445.81       968.1097 844.2366 19.92501 833.2575 19.81047 10.97913       28.09734 
1 1 1 -12 4  5  o 959.8157 15.81635 27084.88       890.3171 26786.78       1246.578 27395.27       1272.004 953.2961 22.29673 964.0179 22.49846 -10.72174      31.67530 
1 1 1 -12 4  6  o 108.4765 14.75760 352.1457       91.45391 347.5008       121.5217 358.2123       138.8803 106.9146 20.11869 108.2503 22.60628 -1.335739      30.26228 
1 1 1 -12 4  7  o 517.7423 9.655722 7867.675       293.1898 7834.269       413.6459 7901.402       415.6273 516.2239 13.67486 518.4318 13.68175 -2.207947      19.34404 
1 1 1 -12 4  8  o 381.1605 8.220348 4263.084       183.7590 4529.764       266.5226 4021.447       253.7002 392.6029 11.58792 369.8900 11.70968 22.71286       16.47412 
1 1 1 -12 4  9  o 411.6421 8.449889 4972.381       203.9958 4815.304       280.9225 5147.612       296.7120 404.7786 11.84639 418.5044 12.10155 -13.72583      16.93471 
1 1 1 -12 4  10 o 71.75774 18.15618 157.3646       76.45668 115.7691       99.96497 215.9925       118.6798 65.09010 22.02370 84.31847 23.24981 -19.22837      32.02495 
1 1 1 -12 4  11 o 364.3138 8.326701 3894.768       177.9095 3876.042       250.8587 3913.717       252.3520 363.1160 11.79532 364.8773 11.80814 -1.761322      16.69017 
1 1 1 -12 4  12 o 303.9792 8.492970 2713.813       151.2614 2657.401       211.5808 2772.785       216.3301 300.5649 12.02722 307.0302 12.03726 -6.465332      17.01616 
1 1 1 -12 4  13 o 610.4442 11.00642 10941.96       394.0421 11229.18       569.6478 10678.43       545.6462 617.7734 15.73549 602.4596 15.45580 15.31384       22.05646 
1 1 1 -12 4  14 o 940.9689 15.60675 26037.46       861.2681 25467.08       1197.909 26647.80       1239.172 929.3167 21.97909 950.5549 22.22819 -21.23822      31.25976 
1 1 1 -12 4  15 o 710.8494 12.34584 14845.43       514.6937 14768.78       726.7983 14922.54       728.9801 708.3412 17.49528 712.0248 17.45702 -3.683594      24.71502 
1 1 1 -12 4  16 o 648.8281 11.43421 12366.08       435.0971 12210.46       611.4999 12525.65       619.2131 643.9694 16.20413 652.4349 16.18276 -8.465515      22.90099 
1 1 1 -12 4  17 o 426.3094 8.738462 5335.117       218.4794 5284.124       308.7415 5386.266       309.2120 423.8494 12.43376 427.9402 12.33321 -4.090790      17.51303 
1 1 1 -12 4  18 o 735.3453 12.50479 15896.52       539.2849 15511.55       750.3784 16307.78       775.5736 725.4806 17.63616 743.8372 17.77848 -18.35663      25.04213 
1 1 1 -12 4  19 f 282.0199 9.058110 2338.239       149.6250 2266.442       184.3990 2476.622       256.0039 277.4472 11.35656 289.6097 15.12483 -12.16257      18.91381 
1 1 1 -12 4  20 o 496.1154 9.266067 7230.595       269.6054 7240.530       384.4879 7220.985       378.1504 495.8144 13.23432 495.1771 13.03260 0.6372681      18.57406 
1 1 1 -12 4  21 o 408.6572 8.236759 4905.085       197.4086 5051.892       287.2173 4773.639       271.7778 414.2013 11.83571 402.6679 11.52028 11.53342       16.51668 
1 1 1 -12 4  22 o 179.4149 7.821829 947.3065       82.10553 853.7460       115.3253 1043.473       116.9206 169.9177 11.64308 188.0462 10.64519 -18.12849      15.77597 
1 1 1 -12 4  23 o 231.1054 7.322176 1570.399       99.11798 1573.854       142.9801 1567.203       137.5269 231.0228 10.58096 230.5792 10.19511 0.4435120      14.69343 
1 1 1 -12 4  24 o 219.9444 7.294882 1422.822       93.96809 1274.592       129.8176 1585.969       136.1934 207.7877 10.68871 231.9270 10.03653 -24.13928      14.66221 
1 1 1 -12 4  25 o 548.1768 9.807119 8845.479       315.2918 8888.117       449.4555 8804.168       442.4079 548.2415 13.99005 545.6949 13.83480 2.546570       19.67544 
1 1 1 -12 4  26 o 151.5228 8.532799 677.5168       75.51996 625.0433       108.0122 727.7015       105.6303 144.9194 12.84133 156.6518 11.57934 -11.73238      17.29106 
1 1 1 -12 4  27 o 160.3281 8.078151 758.0516       75.71300 710.1831       107.8423 804.5806       106.3226 154.6327 11.98502 164.7913 11.06535 -10.15866      16.31204 
1 1 1 -12 4  28 o 269.6628 7.264532 2139.662       114.7845 2088.682       163.8949 2188.740       160.8087 265.9283 10.52955 272.3125 10.08655 -6.384155      14.58115 
1 1 1 -12 4  29 o 274.6454 6.698510 2217.111       107.8949 2162.520       275.8037 2226.974       117.2382 268.8405 17.58922 275.1026 7.272859 -6.262115      19.03353 
1 1 1 -12 4  30 o 259.4004 7.133485 1979.890       108.4202 1972.867       276.6445 1981.165       117.8477 256.4608 18.51761 259.4038 7.755008 -2.942993      20.07590 
1 1 1 -12 4  31 o 371.5413 7.558550 4059.959       164.7010 3894.319       386.5211 4096.707       182.0562 360.8491 18.32403 373.1022 8.320076 -12.25305      20.12446 
1 1 1 -12 4  32 o 38.95166 17.11177 -18.37652      75.32183 -164.3249      223.6798 0.2896987      79.99364 59.27736 27.39748 42.59058 18.16642 16.68678       32.87310 
1 1 1 -12 4  33 o 221.2705 7.785816 1442.647       100.8790 1083.879       260.8964 1505.715       109.3870 187.6104 24.28047 225.9927 8.267101 -38.38229      25.64929 
1 1 1 -12 4  34 o 367.8329 7.629293 3982.854       164.5832 4079.497       391.1481 3962.063       181.4253 368.5654 18.15157 366.7148 8.435658 1.850647       20.01599 
1 1 1 -12 4  35 f 416.6065 8.052676 5114.798       196.7509 4937.924       445.1259 5157.746       219.3410 404.4974 18.81517 418.1099 8.944972 -13.61246      20.83322 
1 1 1 -12 4  36 f 203.6779 7.916213 1224.767       94.38093 1295.642       132.5055 1151.778       134.4657 208.8860 10.85341 196.7107 11.70852 12.17525       15.96515 
1 1 1 -12 4  37 f ?        ?        -323.8052      83.89295 -379.1468      117.9481 -267.1408      119.3495 29.02577 14.64876 33.25539 16.46022 -4.229614      22.03463 
1 1 1 -12 4  38 o 133.2845 12.51750 533.9807       96.70181 522.4315       133.3387 546.7951       140.4525 130.1814 17.94109 133.0331 18.50197 -2.851685      25.77218 
1 1 1 -12 4  39 o 29.13133 14.32463 -171.8073      85.42424 -188.5031      120.5514 -154.9686      121.0665 37.00222 17.93269 38.98676 18.65658 -1.984547      25.87758 
1 1 1 -12 4  40 o 221.5298 8.005542 1455.284       103.8386 1436.536       142.8504 1476.290       151.2053 218.9511 11.16141 221.7485 11.66774 -2.797409      16.14662 
1 1 1 -12 4  41 f 51.39239 19.77955 61.37782       84.04756 -62.82701      117.6178 190.9770       120.1449 44.07294 20.18557 76.32652 24.04214 -32.25359      31.39238 
1 1 1 -12 4  42 o 219.7749 8.169539 1437.919       105.1162 1375.558       147.0439 1503.092       150.3239 213.2194 11.80506 223.0676 11.52968 -9.848190      16.50130 
1 1 1 -12 4  43 o 129.8337 12.23262 515.3069       92.04685 507.9283       128.8557 522.9955       131.5334 126.0611 17.93432 127.8855 18.03772 -1.824463      25.43618 
1 1 1 -12 4  44 o 61.40652 23.54550 104.7831       118.7921 -14.96445      262.1704 135.7200       133.2565 66.89810 30.44663 66.88708 25.10018 0.1102448E-01  39.45904 
1 1 1 -12 4  45 o 53.89904 20.88052 74.56754       94.11166 107.7384       137.1900 45.08214       129.3443 63.17725 24.99161 55.08643 23.28170 8.090824       34.15580 
1 1 1 -12 4  46 o 77.35651 21.68533 208.1184       102.3197 273.8782       142.3403 137.8059       147.1852 86.31889 25.99124 67.05112 26.07464 19.26778       36.81618 
1 1 1 -12 4  47 o 66.84313 22.67124 153.2977       105.9337 168.2443       150.9274 138.7845       148.7226 70.37224 26.64570 66.65436 26.12634 3.717880       37.31727 
1 1 1 -12 4  48 o 69.75375 22.95018 171.9700       108.6819 186.4058       157.2206 158.7588       150.4048 72.37311 27.24148 68.73511 26.45828 3.638000       37.97551 
1 1 1 -12 4  49 o 90.14584 22.44609 293.3654       118.2111 227.8181       161.0880 369.8509       174.0104 76.95917 27.81506 95.73037 28.71788 -18.77120      39.97993 
1 1 1 -12 4  50 o 56.59566 23.36947 78.68229       125.8827 88.12552       172.9572 68.04506       183.5661 61.90685 26.56573 61.14557 26.79196 0.7612762      37.72992 
1 1 1 -12 5  1  o 126.9011 17.19415 482.2737       124.6775 537.9219       163.0306 403.8810       193.5000 133.4434 21.56683 114.6404 28.81642 18.80294       35.99325 
1 1 1 -12 5  2  o 1190.096 22.33877 41751.00       1559.164 42141.14       2714.591 41558.94       1904.671 1188.677 38.99224 1185.793 27.38803 2.884033       47.64975 
1 1 1 -12 5  3  o 512.6929 11.06118 7717.725       332.5902 7503.242       552.7800 7839.425       416.3904 504.5773 18.71230 516.3569 13.76219 -11.77960      23.22817 
1 1 1 -12 5  4  o 487.4518 9.403518 6973.948       268.8268 7059.860       380.8725 6888.659       379.4883 490.0463 13.26452 484.0528 13.38049 5.993500       18.84105 
1 1 1 -12 5  5  o 753.4222 12.80966 16673.07       566.0133 16771.14       801.9111 16575.71       799.0240 755.0120 18.11014 750.5943 18.15115 4.417664       25.64062 
1 1 1 -12 5  6  o 131.6108 12.08681 512.9276       92.25304 566.5546       120.3662 436.5732       143.6247 138.0242 15.11655 120.0013 21.18178 18.02295       26.02264 
1 1 1 -12 5  7  o 359.5149 8.213094 3792.637       173.1706 3903.444       243.5473 3679.333       246.2760 364.4393 11.40888 353.7775 11.88663 10.66187       16.47587 
1 1 1 -12 5  8  o 426.3385 8.607811 5333.887       215.2275 5147.535       297.1259 5539.611       312.1877 418.5015 12.11855 434.1477 12.27337 -15.64627      17.24804 
1 1 1 -12 5  9  o 194.6822 8.699162 1114.456       99.07314 1114.047       132.7638 1114.970       148.8296 194.4313 11.69704 194.3871 13.13190 0.4417419E-01  17.58601 
1 1 1 -12 5  10 o 271.9127 8.030793 2171.407       127.9270 2107.544       175.6169 2243.605       186.7260 267.6841 11.21130 276.1794 11.55376 -8.495300      16.09914 
1 1 1 -12 5  11 f 779.3430 13.18403 17842.96       602.5977 17725.50       848.0027 17962.79       856.4638 776.0714 18.63138 781.2394 18.69280 -5.168091      26.39222 
1 1 1 -12 5  12 o 675.8211 11.81646 13413.47       468.3492 13480.47       666.9855 13348.31       657.8015 676.9843 16.79915 673.6758 16.64920 3.308411       23.65179 
1 1 1 -12 5  13 o 599.4375 10.94472 10551.02       384.7681 10588.28       548.7885 10515.00       539.6158 599.8752 15.61216 597.8214 15.40369 2.053833       21.93201 
1 1 1 -12 5  14 o 419.4081 9.158545 5163.298       225.2754 5076.315       318.2203 5250.683       318.9560 415.4409 13.07704 422.5408 12.88604 -7.099915      18.35916 
1 1 1 -12 5  15 o 305.6054 10.02618 2745.111       179.4564 2939.806       223.1779 2388.935       301.8611 316.1082 12.06042 284.2546 18.20276 31.85355       21.83562 
1 1 1 -12 5  16 o 663.1841 11.57959 12920.48       450.3785 12867.55       637.2792 12973.30       636.5840 661.2151 16.43374 663.9392 16.34846 -2.724060      23.18060 
1 1 1 -12 5  17 o 689.7220 11.88697 13979.11       480.8346 13759.83       675.2148 14204.73       684.8940 683.5696 16.84258 694.5377 16.81423 -10.96808      23.79897 
1 1 1 -12 5  18 o 175.4664 9.342971 906.7191       95.79900 799.4194       136.0807 1012.145       134.8876 164.2163 14.27118 185.1228 12.49725 -20.90649      18.96965 
1 1 1 -12 5  19 o 607.0759 15.42563 10863.70       548.7625 10562.26       776.4510 11164.54       775.6842 596.9153 22.21823 613.9070 21.57783 -16.99164      30.97179 
1 1 1 -12 5  20 o 191.5084 8.289321 1079.094       92.88114 1005.315       131.3720 1152.832       131.3355 184.4558 12.21272 197.6723 11.37691 -13.21648      16.69085 
1 1 1 -12 5  21 o 326.3301 7.649693 3127.287       146.4036 3094.673       211.2915 3157.405       203.0464 324.1714 11.13016 327.5103 10.58499 -3.338806      15.35977 
1 1 1 -12 5  22 o 273.9720 7.276719 2205.948       116.8174 2162.056       167.5042 2247.509       162.9975 270.8972 10.56341 276.2640 10.07707 -5.366852      14.59907 
1 1 1 -12 5  23 o 380.6942 7.880002 4258.481       175.9354 4183.859       249.4018 4332.400       248.2228 376.7736 11.29951 383.4515 11.04928 -6.677917      15.80397 
1 1 1 -12 5  24 o 197.8804 7.434325 1152.174       86.12355 1230.215       125.6703 1083.064       118.2613 204.1387 10.53241 191.5020 10.57077 12.63672       14.92223 
1 1 1 -12 5  25 o 97.88215 11.77303 286.5328       66.22858 250.0365       95.88992 319.8230       91.58131 90.07581 18.76166 102.7829 15.68909 -12.70713      24.45706 
1 1 1 -12 5  26 o 359.1586 7.674327 3792.625       161.6505 3778.395       232.8730 3805.857       224.5698 357.7981 11.11110 359.1868 10.67241 -1.388641      15.40639 
1 1 1 -12 5  27 o 363.1468 7.729313 3878.424       164.6166 3752.227       233.7663 4002.562       231.8515 356.4463 11.19634 368.2573 10.74664 -11.81100      15.51929 
1 1 1 -12 5  28 o 42.54412 16.84005 29.73731       62.32613 -231.1933      202.2597 57.11374       65.51417 52.09424 24.69739 48.47963 17.70671 3.614613       30.38895 
1 1 1 -12 5  29 o 210.4483 7.435876 1304.094       91.63154 1315.763       254.4806 1302.355       98.21970 208.4085 21.11127 210.2420 7.980275 -1.833420      22.56923 
1 1 1 -12 5  30 o 247.4965 7.375381 1802.893       106.9348 1644.531       284.3973 1828.968       115.4034 233.2690 21.01327 249.2129 7.905828 -15.94395      22.45127 
1 1 1 -12 5  31 o 149.3144 9.872422 659.9026       85.96703 383.3575       258.2394 694.3689       91.16689 111.0087 35.28332 153.1322 10.20958 -42.12348      36.73075 
1 1 1 -12 5  32 o 24.44951 12.22549 -199.8562      73.01524 -285.0832      231.8431 -190.4724      76.92992 54.67586 26.06893 26.01304 12.93366 28.66282       29.10101 
1 1 1 -12 5  33 o 233.7623 7.845921 1610.181       107.4120 1551.284       273.3843 1620.932       116.8053 226.1544 20.84634 234.4426 8.509349 -8.288239      22.51619 
1 1 1 -12 5  34 o 73.69009 19.09089 169.1932       83.16436 -123.0364      237.7936 209.9179       88.77026 63.55133 28.95181 82.05030 18.84506 -18.49897      34.54481 
1 1 1 -12 5  35 o 137.9852 11.21169 567.3920       89.94952 566.5263       245.4250 567.5264       96.67666 131.3810 32.12441 137.8249 12.08242 -6.443939      34.32146 
1 1 1 -12 5  36 o 91.56821 16.16689 258.3233       83.64698 320.1301       251.3161 250.6234       88.70448 101.5398 34.90816 89.84366 17.46401 11.69616       39.03295 
1 1 1 -12 5  37 o 142.9501 10.45255 608.4859       87.02523 597.4865       118.1047 621.5524       128.7245 140.6556 14.52598 143.1834 15.58010 -2.527756      21.30126 
1 1 1 -12 5  38 o 387.6647 7.423734 4433.242       168.7832 4352.290       234.7249 4519.913       242.8745 382.8507 10.46373 390.0830 10.62623 -7.232269      14.91330 
1 1 1 -12 5  39 o 34.62760 16.33397 -90.60542      86.39780 -45.12223      117.6043 -143.9360      127.3462 46.10310 20.74315 41.02790 19.49318 5.075203       28.46511 
1 1 1 -12 5  40 o 119.3950 12.79461 433.4398       88.19531 335.2567       123.5666 535.3998       125.9208 101.6360 21.40740 131.3017 16.73178 -29.66569      27.17037 
1 1 1 -12 5  41 o 259.0440 7.560606 1990.524       114.7402 2016.485       159.3794 1962.592       165.3179 259.3588 10.49976 255.5616 11.05611 3.797211       15.24738 
1 1 1 -12 5  42 o 188.8865 8.847389 1065.656       97.73682 1065.397       136.1305 1065.931       140.4103 187.1967 12.47069 187.0241 12.87985 0.1726227      17.92788 
1 1 1 -12 5  43 o 130.9358 12.74627 526.1193       96.64214 588.9143       133.7581 457.5367       139.7863 136.2871 17.11076 117.7024 21.02161 18.58469       27.10510 
1 1 1 -12 5  44 o 232.2245 8.467512 1613.488       115.1295 1652.698       167.8047 1578.615       158.2505 232.4521 12.35328 227.5061 11.90185 4.946045       17.15394 
1 1 1 -12 5  45 o 88.75987 19.56706 264.2119       99.11092 182.4846       138.6470 349.6166       141.7319 73.13175 25.87603 99.25117 24.49922 -26.11942      35.63398 
1 1 1 -12 5  46 o 73.28969 22.65340 187.6156       107.2021 159.6598       146.5341 219.8079       157.2454 69.67226 26.28311 77.86103 27.55626 -8.188766      38.08083 
1 1 1 -12 5  47 f 42.84783 19.37028 -27.30716      103.9667 37.97802       149.4754 -88.49014      144.7030 56.14380 24.39520 45.80203 21.45785 10.34177       32.48946 
1 1 1 -12 5  48 o 170.9746 11.95969 905.1102       119.1666 847.8235       168.6740 962.1976       168.3803 159.9711 18.30800 171.9021 16.92076 -11.93092      24.92980 
1 1 1 -12 5  49 o 52.88060 22.18095 54.48854       115.9990 144.8827       165.8192 -32.14276      162.3312 67.25005 27.17834 51.65976 23.68040 15.59029       36.04751 
1 1 1 -12 5  50 o 39.55309 18.96339 -128.1470      126.3860 -44.15947      180.0176 -209.7860      177.4829 52.87638 24.48788 44.14575 21.47853 8.730629       32.57274 
1 1 1 -12 6  1  o 1162.216 21.85382 39800.39       1489.583 38544.79       2505.972 40486.42       1852.346 1137.791 37.60628 1170.715 26.97865 -32.92456      46.28261 
1 1 1 -12 6  2  o 352.9161 11.14055 3660.482       230.2949 3541.864       308.3317 3810.151       346.3450 346.8060 15.19626 359.5973 16.46630 -12.79129      22.40681 
1 1 1 -12 6  3  o 472.6737 13.38675 6568.545       370.7229 0.000000       0.000000 6568.545       370.7229 ?        ?        472.6737 13.38675 0.000000       13.38675 
1 1 1 -12 6  4  o 703.2776 13.91596 14531.33       573.9716 14655.61       987.4253 14467.92       705.3823 704.5618 23.93125 701.3936 17.14795 3.168274       29.44074 
1 1 1 -12 6  5  o 272.6614 8.205866 2183.464       131.0702 2295.362       182.3137 2063.758       188.5670 279.3877 11.14896 264.8186 12.17391 14.56915       16.50768 
1 1 1 -12 6  6  f 272.2374 8.170103 2176.653       130.2969 2044.697       174.7553 2341.837       195.5242 263.6535 11.32820 282.1568 11.84202 -18.50333      16.38785 
1 1 1 -12 6  7  o 481.2047 9.311228 6795.902       262.7770 6722.361       366.8891 6873.365       376.5446 478.2184 13.09384 483.5461 13.29046 -5.327698      18.65703 
1 1 1 -12 6  8  o 808.2350 13.57458 19190.47       643.4498 19373.62       916.9892 19012.82       903.1201 811.3343 19.27143 803.7611 19.15879 7.573181       27.17438 
1 1 1 -12 6  9  o 547.2506 10.02378 8790.873       321.7128 8870.566       457.3672 8712.828       452.6112 549.2629 14.21017 544.3564 14.18933 4.906555       20.08148 
1 1 1 -12 6  10 o 385.7012 8.659493 4365.756       195.8818 4269.470       274.8159 4465.191       279.2754 381.0755 12.31263 389.7275 12.23374 -8.651978      17.35699 
1 1 1 -12 6  11 o 186.2550 10.05468 1021.326       109.4242 1004.774       147.5414 1041.559       163.1285 184.4135 13.74051 187.6517 14.94610 -3.238144      20.30241 
1 1 1 -12 6  12 o 404.5852 9.076688 4804.372       215.3713 4802.092       304.3596 4806.658       304.8029 404.1005 12.85880 404.2916 12.87146 -0.1911316     18.19404 
1 1 1 -12 6  13 o 623.4951 11.26523 11416.26       411.9303 11633.76       594.6131 11215.55       571.2065 628.7162 16.13944 617.3534 15.78939 11.36279       22.57845 
1 1 1 -12 6  14 o 299.1741 9.019987 2629.628       158.0826 2522.098       217.5042 2750.032       230.1573 292.7094 12.70034 305.6588 12.86796 -12.94943      18.07991 
1 1 1 -12 6  15 o 307.4948 8.495396 2777.383       153.0578 2849.843       221.7662 2711.470       211.5106 311.2076 12.17400 303.5701 11.90324 7.637482       17.02626 
1 1 1 -12 6  16 o 147.5281 12.34529 644.0265       105.8351 713.1359       129.8210 507.0766       182.7500 155.0552 14.44212 128.7736 25.10032 26.28159       28.95861 
1 1 1 -12 6  17 o 553.9632 10.07813 9013.019       327.4247 8998.369       466.5684 9027.233       459.6071 552.8715 14.40159 553.7935 14.16266 -0.9220581     20.19868 
1 1 1 -12 6  18 o 203.9289 8.478614 1223.152       101.1826 1201.264       142.2797 1245.549       143.9220 201.7790 12.07839 205.4861 11.99462 -3.707092      17.02229 
1 1 1 -12 6  19 o 192.0359 8.655380 1085.226       97.23026 987.5892       138.8023 1179.294       136.2422 182.7442 13.03659 199.9271 11.67029 -17.18286      17.49710 
1 1 1 -12 6  20 o 580.1743 10.35147 9894.687       352.2176 9957.240       504.2886 9835.107       492.1549 581.0755 14.80983 577.5571 14.54125 3.518433       20.75522 
1 1 1 -12 6  21 o 231.1800 7.524017 1571.154       101.8760 1580.840       148.2560 1562.489       140.2277 231.5671 10.94754 230.2749 10.41025 1.292130       15.10701 
1 1 1 -12 6  22 o 466.4610 10.22172 6400.331       279.6339 6484.366       348.6159 6248.706       468.2769 468.9508 12.68728 459.2258 17.41863 9.725006       21.54938 
1 1 1 -12 6  23 o 240.7507 7.227021 1704.173       101.9261 1699.645       149.7240 1708.084       139.1471 240.0549 10.66142 240.7497 9.875994 -0.6947937     14.53276 
1 1 1 -12 6  24 o 265.5087 7.294586 2072.906       113.4797 2184.350       169.0611 1981.519       153.0935 272.1446 10.61272 259.2554 10.08807 12.88919       14.64237 
1 1 1 -12 6  25 o 87.06914 13.48013 229.1360       66.61230 256.2046       94.82323 202.7632       93.59679 91.25706 18.35401 80.91015 19.87155 10.34691       27.05084 
1 1 1 -12 6  26 o 320.6721 7.365629 3022.938       138.5229 3049.403       201.5246 2999.234       190.7233 321.4514 10.70455 318.8845 10.21128 2.566895       14.79383 
1 1 1 -12 6  27 o 372.6943 7.203915 4083.622       157.4606 3595.133       360.8908 4198.479       174.9959 346.9891 17.79353 377.8011 7.897946 -30.81198      19.46760 
1 1 1 -12 6  28 o 309.8624 6.904783 2822.506       125.4785 2535.728       312.8742 2877.472       136.9770 290.9505 18.43054 312.7995 7.466739 -21.84903      19.88560 
1 1 1 -12 6  29 o 385.9674 7.478696 4381.215       169.2883 4273.333       410.0798 4403.377       185.8650 377.9138 18.55904 386.8291 8.192716 -8.915314      20.28690 
1 1 1 -12 6  30 o 366.5913 7.509851 3952.357       161.4596 4288.274       421.0445 3894.443       174.8247 378.4139 19.03299 363.7943 8.194008 14.61963       20.72188 
1 1 1 -12 6  31 o 396.0996 7.699299 4615.059       178.8571 4823.314       457.1145 4577.412       194.3519 401.1472 19.48822 394.3639 8.403131 6.783234       21.22271 
1 1 1 -12 6  32 o 200.1750 8.439768 1181.738       98.85880 863.2872       279.0311 1227.448       105.7161 165.3280 29.87702 203.9581 8.859046 -38.63007      31.16279 
1 1 1 -12 6  33 o 188.8990 8.824731 1053.666       97.49438 1074.356       270.9659 1050.589       104.4924 186.1908 25.48243 188.5216 9.481336 -2.330765      27.18915 
1 1 1 -12 6  34 o 150.3523 10.28572 670.8179       90.15123 283.2926       253.1493 727.1021       96.47614 98.61485 34.95790 156.5098 10.57265 -57.89496      36.52172 
1 1 1 -12 6  35 o 33.98060 15.92749 -78.90285      79.89304 -301.5188      265.8006 -56.79300      83.76656 58.79855 28.00044 37.07333 17.00029 21.72522       32.75721 
1 1 1 -12 6  36 o 53.90634 19.92695 71.01289       83.37805 13.21561       245.3650 78.55814       88.65353 72.86717 31.45888 56.04739 20.57716 16.81978       37.59096 
1 1 1 -12 6  37 o 121.9277 16.63362 455.0118       115.8451 540.7419       261.5358 434.0863       129.2120 126.5272 34.36384 118.2081 19.30386 8.319023       39.41462 
1 1 1 -12 6  38 o 217.8376 8.565279 1405.001       109.2138 1385.595       152.0080 1425.707       157.0171 215.3051 12.08673 218.3312 12.31244 -3.026016      17.25355 
1 1 1 -12 6  39 o 47.40750 19.39493 30.33757       85.67072 76.77213       120.6676 -16.85747      121.6517 59.94322 23.52221 49.49778 21.74568 10.44544       32.03387 
1 1 1 -12 6  40 o 153.3990 10.04941 704.4114       89.91151 713.4496       119.0005 692.3882       137.2518 153.1947 13.37920 149.8416 15.85875 3.353073       20.74856 
1 1 1 -12 6  41 o 158.7391 14.34009 773.4431       132.0633 0.000000       0.000000 773.4431       132.0633 ?        ?        158.7391 14.34009 0.000000       14.34009 
1 1 1 -12 6  42 o 70.31438 20.44699 162.1953       89.34997 256.3252       126.1887 67.55282       126.5319 86.76993 23.99279 58.34309 23.68217 28.42684       33.71201 
1 1 1 -12 6  43 o 77.72462 20.54204 201.8231       95.03665 248.1294       136.7639 158.5829       132.1586 84.41512 25.49000 70.53564 25.23125 13.87948       35.86581 
1 1 1 -12 6  44 o 121.7287 14.06051 462.5852       98.53654 539.1279       142.4580 392.3729       136.4401 128.1383 19.57666 107.1984 22.42402 20.93984       29.76713 
1 1 1 -12 6  45 o 211.7392 9.460381 1351.434       117.1824 1311.517       159.9412 1397.692       172.1762 205.8647 13.31880 212.0335 13.92283 -6.168839      19.26748 
1 1 1 -12 6  46 o 68.32761 22.65865 159.9910       105.8716 164.0677       146.9220 155.5875       152.6949 70.15935 26.34996 69.37225 26.67050 0.7870941      37.49181 
1 1 1 -12 6  47 o 151.2067 13.72411 718.7174       120.3799 828.3094       186.9117 641.0377       157.3623 155.8639 20.97978 137.7308 20.07121 18.13315       29.03454 
1 1 1 -12 6  48 o 178.6493 11.16485 981.7954       116.3933 933.5370       157.3195 1040.158       173.0066 170.1429 15.95191 178.9124 16.68035 -8.769547      23.08023 
1 1 1 -12 6  49 o 144.1814 14.97330 667.4910       124.7711 713.4672       180.8619 625.7399       172.3515 141.9759 22.46807 132.2461 23.05993 9.729782       32.19587 
1 1 1 -12 6  50 o 96.13575 24.78827 350.1122       140.6585 367.4117       219.1074 337.9852       183.4507 90.39600 32.46958 89.48145 29.83105 0.9145508      44.09269 
1 1 1 -12 7  1  o 203.8512 11.61618 1224.098       138.3010 1261.576       175.0905 1161.923       225.5188 206.6990 14.53623 197.7168 19.71096 8.982178       24.49130 
1 1 1 -12 7  2  o 998.4624 18.93850 29335.60       1108.990 30057.67       1948.270 28989.51       1348.830 1006.583 33.04745 991.6951 23.19149 14.88794       40.37300 
1 1 1 -12 7  3  o 510.0917 13.26275 7648.060       396.4274 7714.843       554.6764 7578.328       566.7858 511.7407 18.51209 507.1124 19.09152 4.628357       26.59292 
1 1 1 -12 7  4  o 375.8195 9.593431 4148.105       211.2752 4251.672       339.6349 4082.731       269.8399 380.0407 15.26922 372.6531 12.36382 7.387604       19.64721 
1 1 1 -12 7  5  o 548.2529 11.50289 8825.531       369.8608 8629.976       611.7963 8938.169       464.3179 541.1730 19.30708 551.3557 14.37154 -10.18268      24.06875 
1 1 1 -12 7  6  o 926.9809 15.32290 25255.49       833.0328 25178.22       1173.458 25333.99       1182.770 924.5112 21.64236 927.3463 21.74743 -2.835022      30.68131 
1 1 1 -12 7  7  o 35.96022 16.18165 -36.48555      71.59413 15.20118       87.99308 -137.7180      123.1456 46.95096 19.47663 41.46958 19.54276 5.481380       27.59091 
1 1 1 -12 7  8  o 496.6472 9.540774 7239.583       277.8959 7281.758       395.2731 7198.364       390.7738 497.6766 13.55514 494.8238 13.47811 2.852844       19.11547 
1 1 1 -12 7  9  o 256.7734 8.698407 1937.117       130.8016 1933.411       180.1876 1941.245       190.1792 256.3033 12.02076 256.7712 12.66803 -0.4679260     17.46361 
1 1 1 -12 7  10 o 221.1859 9.206974 1438.384       119.1720 1503.816       160.7668 1358.579       177.5495 225.9538 12.17681 214.5499 14.19016 11.40390       18.69854 
1 1 1 -12 7  11 o 256.7592 9.173603 1937.425       137.9170 1880.803       189.6405 2000.994       200.9377 252.7048 12.83785 260.6441 13.18793 -7.939270      18.40467 
1 1 1 -12 7  12 o 416.5798 9.318201 5093.844       227.6569 5210.875       328.0030 4985.063       316.2306 420.9138 13.30393 411.7012 13.11371 9.212555       18.68057 
1 1 1 -12 7  13 o 290.3562 9.086702 2477.053       154.5443 2385.220       210.9383 2583.469       227.0694 284.6497 12.66728 296.2268 13.10266 -11.57718      18.22470 
1 1 1 -12 7  14 o 439.6268 9.304488 5673.690       239.8983 5745.490       348.8375 5609.263       330.4441 441.9300 13.47494 436.7120 12.91605 5.217987       18.66543 
1 1 1 -12 7  15 o 411.7122 8.775907 4975.775       211.9026 5150.384       307.9409 4818.732       292.0417 418.4579 12.56195 404.7723 12.31655 13.68555       17.59261 
1 1 1 -12 7  16 o 351.4416 9.378872 3629.077       193.1372 3799.978       245.9167 3353.974       312.0056 359.4323 11.68147 337.2098 15.82064 22.22253       19.66595 
1 1 1 -12 7  17 o 541.7863 9.966775 8621.686       316.6891 8264.069       441.0714 9002.220       454.9848 529.7925 14.20838 552.9893 14.04045 -23.19672      19.97530 
1 1 1 -12 7  18 o 106.8523 15.09679 342.8132       91.97357 306.8083       108.5329 434.5444       173.2364 100.2989 19.14901 118.7710 25.62352 -18.47208      31.98827 
1 1 1 -12 7  19 o 727.8536 12.41365 15585.90       529.9003 15514.06       749.9551 15657.53       748.8307 724.9667 17.63870 728.3403 17.53068 -3.373657      24.86863 
1 1 1 -12 7  20 o 160.9290 8.971242 763.2509       84.33640 727.9325       122.1057 795.4686       116.6225 156.6512 13.41999 163.9595 12.21596 -7.308350      18.14733 
1 1 1 -12 7  21 o 378.7447 7.979355 4213.781       177.2413 4190.379       257.8348 4234.748       244.0471 377.1384 11.67114 379.2324 10.98438 -2.094055      16.02723 
1 1 1 -12 7  22 o 170.0509 9.618786 853.1122       95.53780 820.6506       118.3292 913.8985       161.9235 166.4617 12.20553 175.1379 15.93890 -8.676163      20.07544 
1 1 1 -12 7  23 o 67.81744 16.42408 141.5586       64.62273 159.9288       93.55404 124.7947       89.37013 72.47514 20.87709 65.29295 20.75693 7.182190       29.43983 
1 1 1 -12 7  24 o 312.9717 7.471764 2878.584       137.1446 3046.234       205.5804 2744.144       184.0967 321.3754 10.92321 305.1045 10.30316 16.27094       15.01571 
1 1 1 -12 7  25 o 218.2442 9.238223 1404.311       117.9772 1293.076       262.7642 1432.396       132.0337 206.7596 22.00733 220.2833 10.24813 -13.52368      24.27646 
1 1 1 -12 7  26 o 442.5525 7.858970 5760.028       203.9769 6071.908       489.8061 5694.591       224.3572 450.9994 18.55780 439.8867 8.696581 11.11261       20.49445 
1 1 1 -12 7  27 o 187.1416 7.492247 1031.516       82.06427 881.9106       262.6451 1047.701       86.38951 168.2958 27.56334 188.5686 7.828649 -20.27272      28.65354 
1 1 1 -12 7  28 o 289.8919 6.868361 2470.365       116.7723 2407.077       308.6895 2480.934       126.1462 283.3555 18.67966 290.3587 7.413858 -7.003235      20.09714 
1 1 1 -12 7  29 o 274.7904 7.112160 2221.573       114.5219 1784.360       301.6768 2295.188       123.7882 242.9133 21.39420 279.2488 7.565502 -36.33548      22.69248 
1 1 1 -12 7  30 o 85.68087 17.08945 225.9863       82.86131 -20.68769      267.9313 252.0742       87.13287 74.92539 32.60741 90.62113 17.01945 -15.69574      36.78185 
1 1 1 -12 7  31 o 271.4952 7.670273 2169.917       122.0079 1595.561       328.1799 2262.032       131.4281 228.3144 24.91289 277.1415 8.094721 -48.82709      26.19497 
1 1 1 -12 7  32 o 407.1304 7.858006 4877.677       187.6275 4752.145       447.5493 4904.444       206.6658 397.9566 19.23279 408.0977 8.634835 -10.14105      21.08223 
1 1 1 -12 7  33 o 62.82231 19.90442 117.2116       82.23901 428.8292       262.8541 83.39826       86.58597 115.5767 35.42726 56.85590 20.41269 58.72082       40.88726 
1 1 1 -12 7  34 o 266.0314 7.601215 2085.694       118.4734 2454.178       335.0892 2033.052       126.6536 284.4596 20.21757 262.5361 8.235989 21.92355       21.83075 
1 1 1 -12 7  35 o 239.4107 8.068259 1691.551       113.1235 1221.824       296.7091 1771.443       122.3662 197.2167 26.30855 244.9139 8.532205 -47.69719      27.65752 
1 1 1 -12 7  36 o 302.4422 7.646239 2697.916       135.5166 3065.837       373.8201 2642.248       145.4077 317.0681 20.20811 299.1501 8.295971 17.91809       21.84470 
1 1 1 -12 7  37 o 45.48272 19.12048 12.68906       86.49616 100.5440       272.6357 2.856484       91.20808 82.08532 34.18653 45.33884 19.37003 36.74648       39.29271 
1 1 1 -12 7  38 o 67.12328 20.38216 140.0469       87.27401 158.3112       121.2231 120.3932       125.7495 72.40330 24.25156 66.99985 24.52189 5.403450       34.48857 
1 1 1 -12 7  39 o 192.0553 8.809638 1095.726       98.96385 1067.850       135.5821 1127.513       144.7825 188.4306 12.33660 193.4475 12.83409 -5.016891      17.80184 
1 1 1 -12 7  40 o 127.8974 15.56991 505.9394       114.3844 439.5083       295.8570 517.6144       124.0290 109.0568 37.85762 128.8454 16.81438 -19.78852      41.42369 
1 1 1 -12 7  41 o 49.40883 19.63452 48.47843       85.04303 -70.57182      120.8721 165.1819       119.6748 44.04890 20.28035 71.80534 24.09675 -27.75645      31.49517 
1 1 1 -12 7  42 o 219.1385 8.455421 1431.989       108.4648 1496.315       151.7140 1364.735       155.1278 222.3563 11.67481 211.8211 12.54350 10.53517       17.13594 
1 1 1 -12 7  43 o 240.0568 8.067595 1718.516       113.4204 1672.546       158.7626 1766.433       162.0905 234.7671 11.56644 241.3368 11.48501 -6.569748      16.29994 
1 1 1 -12 7  44 o 34.87206 16.63882 -107.2991      94.80747 -200.9006      131.6165 -6.352697      136.6830 37.76867 18.40279 51.43572 22.80305 -13.66705      29.30259 
1 1 1 -12 7  45 f 55.76169 21.50146 83.42761       99.45040 126.8065       136.8275 34.84711       144.7990 65.29574 25.20906 56.03943 24.18020 9.256306       34.93105 
1 1 1 -12 7  46 f 73.83059 22.11507 190.7245       103.2503 260.1724       141.5444 111.7464       150.9443 83.87664 26.04771 64.04421 25.91342 19.83243       36.74219 
1 1 1 -12 7  47 o 205.2698 10.05967 1281.831       120.7354 1372.357       166.4785 1181.390       175.3586 209.3029 13.63652 192.1654 15.69633 17.13747       20.79253 
1 1 1 -12 7  48 o 211.3269 10.50725 1366.062       129.8165 1411.186       180.2921 1317.481       187.0720 210.7274 14.68012 202.2494 15.89918 8.477982       21.64000 
1 1 1 -12 7  49 o 99.09440 22.19591 351.7902       125.7844 297.2984       178.5697 405.4554       177.2102 85.22538 29.42014 100.2621 28.68676 -15.03674      41.09106 
1 1 1 -12 8  1  f 843.1093 16.30198 20897.69       806.0739 20290.09       1349.066 21235.05       1005.249 828.2892 27.81102 849.3102 20.18165 -21.02100      34.36207 
1 1 1 -12 8  2  o 473.0786 12.61586 6577.499       349.7140 6538.038       481.9007 6621.401       508.2947 471.1722 17.46948 474.0702 18.31641 -2.897919      25.31153 
1 1 1 -12 8  3  o 705.0679 13.96424 14604.94       577.4293 14290.70       968.7530 14778.11       719.1401 695.8015 23.77473 708.8793 17.29779 -13.07782      29.40155 
1 1 1 -12 8  4  o 364.6481 9.448895 3905.133       201.9014 3719.499       308.3054 4044.524       267.1581 355.4628 14.82144 370.9086 12.29849 -15.44580      19.25949 
1 1 1 -12 8  5  o 775.3135 15.09244 17666.27       686.2579 17674.03       1175.956 17662.27       845.0831 773.3688 25.96391 774.7776 18.59824 -1.408813      31.93774 
1 1 1 -12 8  6  o 413.1504 8.747211 5009.179       211.9475 5016.519       299.3532 5001.800       300.1263 413.1121 12.36958 412.5010 12.42005 0.6111145      17.52896 
1 1 1 -12 8  7  o 568.0956 10.40575 9474.102       346.6933 9632.245       494.8935 9321.698       485.8288 572.3126 14.75674 563.0084 14.72621 9.304199       20.84760 
1 1 1 -12 8  8  o 974.4688 16.09416 27920.04       919.7858 28137.03       1309.176 27708.54       1292.531 976.9258 22.84998 969.4853 22.73261 7.440491       32.23187 
1 1 1 -12 8  9  o 221.5453 9.245207 1443.085       119.8600 1362.103       158.5533 1551.082       183.0992 214.9730 12.63162 229.3572 13.67413 -14.38416      18.61557 
1 1 1 -12 8  10 o 445.2982 9.409982 5820.252       245.7481 5847.662       350.9788 5793.891       344.2010 445.9209 13.43595 443.8828 13.23667 2.038025       18.86091 
1 1 1 -12 8  11 o 676.2604 11.98049 13432.32       475.1591 13161.40       664.4146 13715.93       679.8026 668.6514 16.95662 682.8066 16.97597 -14.15521      23.99397 
1 1 1 -12 8  12 o 187.3250 10.80922 1033.826       118.2476 952.4421       156.0322 1143.630       181.2393 179.3669 14.96910 196.5599 15.85643 -17.19304      21.80597 
1 1 1 -12 8  13 f 674.8004 11.89143 13376.29       470.6085 13286.72       665.3210 13465.97       665.7610 671.7249 16.90185 676.4692 16.78107 -4.744324      23.81758 
1 1 1 -12 8  14 o 142.2676 14.20709 600.9809       116.9556 754.0232       148.1906 348.2109       190.4486 159.2807 16.08389 106.7332 29.46090 52.54750       33.56540 
1 1 1 -12 8  15 o 369.8532 8.488941 4015.333       184.1338 4090.729       267.4005 3947.341       253.9303 372.9050 12.24342 366.3428 11.83441 6.562164       17.02805 
1 1 1 -12 8  16 o 282.1418 7.964923 2338.478       131.6633 2304.392       187.1156 2371.905       185.2977 279.8100 11.42644 283.9106 11.15021 -4.100677      15.96530 
1 1 1 -12 8  17 o 148.2023 9.968201 648.1069       86.13685 638.6155       117.7276 659.0415       126.3621 146.6781 13.84953 148.9197 14.65797 -2.241592      20.16595 
1 1 1 -12 8  18 o 368.4922 9.821852 3992.314       212.0727 4236.518       440.3755 3918.581       241.9799 378.0782 19.93094 364.9124 11.32051 13.16586       22.92152 
1 1 1 -12 8  19 o 226.3571 7.740308 1506.267       102.6038 1372.520       148.6269 1628.044       141.8198 215.6879 11.79443 235.1190 10.30993 -19.43109      15.66535 
1 1 1 -12 8  20 o 234.3875 7.643435 1615.089       104.9283 1591.270       151.4114 1637.099       145.5444 232.3164 11.14543 235.7107 10.55526 -3.394241      15.35038 
1 1 1 -12 8  21 o 359.0591 7.901004 3787.394       166.3791 3648.895       237.9212 3919.944       232.7550 351.8840 11.54440 364.8300 10.89041 -12.94595      15.87055 
1 1 1 -12 8  22 o 169.3130 10.55463 846.9523       104.2842 839.2551       135.6001 858.0954       163.1530 168.0804 13.87961 169.5013 16.62605 -1.420868      21.65800 
1 1 1 -12 8  23 o 194.9839 7.907167 1119.253       90.23361 1082.964       129.9754 1153.016       125.3685 191.3484 11.63708 197.5683 10.86162 -6.219879      15.91843 
1 1 1 -12 8  24 o 125.1536 9.265374 463.4084       67.52522 0.000000       0.000000 463.4084       67.52522 ?        ?        125.1536 9.265374 0.000000       9.265374 
1 1 1 -12 8  25 o 124.4441 9.314391 458.3955       67.48653 589.2094       227.7717 445.8065       70.65927 136.7459 29.28377 122.6374 9.908469 14.10859       30.91467 
1 1 1 -12 8  26 o 318.5772 6.887356 2982.999       128.6820 3015.882       348.9033 2977.821       138.4419 317.4394 18.82558 318.2419 7.417538 -0.8025208     20.23419 
1 1 1 -12 8  27 o 321.6718 7.019020 3041.896       132.4159 2979.076       343.5291 3052.858       143.5052 315.4076 18.65455 322.1815 7.594801 -6.773895      20.14133 
1 1 1 -12 8  28 o 128.8544 9.948869 492.2718       74.60181 432.4330       272.5085 497.1197       77.56493 116.9365 36.11327 129.4401 10.30248 -12.50356      37.55408 
1 1 1 -12 8  29 o 112.8519 11.74460 380.1136       76.59573 482.9684       265.8342 370.8013       79.98801 122.7041 35.14397 111.3215 12.46548 11.38261       37.28923 
1 1 1 -12 8  30 o 293.0531 7.580703 2527.520       130.1792 2528.274       361.0781 2527.407       139.5652 289.4691 21.42084 292.9666 8.130716 -3.497437      22.91203 
1 1 1 -12 8  31 o 206.8469 8.362843 1261.394       101.2412 986.6722       297.6893 1297.324       107.6584 177.2139 29.69216 209.7211 8.772335 -32.50720      30.96092 
1 1 1 -12 8  32 o 280.0816 7.487748 2309.536       122.8843 2099.386       326.7344 2344.160       132.6215 263.2754 21.34378 282.0915 8.024442 -18.81607      22.80238 
1 1 1 -12 8  33 o 349.3729 7.536551 3592.601       154.4231 3347.146       385.4572 3639.528       168.5395 333.0564 19.82335 351.5324 8.174963 -18.47601      21.44284 
1 1 1 -12 8  34 o 297.3715 7.569674 2605.954       131.9088 2082.125       334.9729 2702.092       143.5038 260.8808 22.10138 302.7049 8.090646 -41.82407      23.53570 
1 1 1 -12 8  35 o 378.1047 7.730609 4213.136       171.4258 4289.120       431.7104 4198.913       186.7828 375.9775 19.64670 377.2859 8.441425 -1.308411      21.38342 
1 1 1 -12 8  36 o 145.2400 10.92771 628.6908       92.39937 505.3181       286.9980 642.9575       97.59573 122.3445 36.92137 146.7785 11.42750 -24.43400      38.64939 
1 1 1 -12 8  37 o 201.7803 9.095076 1206.462       107.3539 1412.745       321.0976 1180.502       113.9088 210.6842 26.57709 199.4339 9.768568 11.25029       28.31549 
1 1 1 -12 8  38 o 273.1151 8.077191 2206.297       129.2347 2436.162       365.3563 2173.424       138.1671 279.1412 22.50802 270.8818 8.708414 8.259399       24.13395 
1 1 1 -12 8  39 o 237.9781 7.782714 1677.453       108.4761 1824.543       161.8602 1557.520       146.1559 246.8984 11.20741 228.1845 10.95342 18.71385       15.67110 
1 1 1 -12 8  40 o 121.4927 12.43629 448.9666       87.36274 490.9690       121.4203 403.8833       125.7949 125.2686 16.96264 112.1472 19.85238 13.12145       26.11222 
1 1 1 -12 8  41 o 122.3744 12.54727 457.3036       88.77752 414.2571       123.8976 502.7260       127.2711 113.4308 19.31593 126.0257 17.70722 -12.59491      26.20402 
1 1 1 -12 8  42 f 49.12331 19.77953 45.24210       87.46992 86.00460       120.3205 -0.4466188     127.3837 59.70861 23.47084 51.07085 22.34953 8.637764       32.40959 
1 1 1 -12 8  43 o 74.72054 20.46022 187.0810       92.27380 262.5218       123.7184 92.50531       138.5226 87.10275 23.62581 62.13091 24.93493 24.97185       34.35010 
1 1 1 -12 8  44 o 44.91115 19.36871 9.135108       92.81523 -107.1117      127.4749 140.2949       135.4049 42.09592 19.85182 67.36394 25.29695 -25.26802      32.15635 
1 1 1 -12 8  45 o 168.8187 10.79455 868.0616       106.3149 650.9945       145.7798 1114.671       155.3834 141.5033 17.97111 188.9605 14.12329 -47.45729      22.85669 
1 1 1 -12 8  46 o 57.79208 22.05351 96.70884       103.8850 78.07505       144.4885 116.6494       149.4693 59.71798 24.88057 64.38598 25.88014 -4.668003      35.90020 
1 1 1 -12 8  47 o 105.9500 18.64514 376.2397       111.6268 327.4439       152.3295 432.8327       164.0495 92.76730 26.61411 107.4649 26.25656 -14.69757      37.38607 
1 1 1 -12 8  48 o 61.75519 23.27723 122.6867       114.8804 170.2289       164.0753 76.96585       160.9019 70.17184 27.46042 60.34175 25.75202 9.830082       37.64626 
1 1 1 -12 8  49 o 43.93036 20.17954 -43.01332      118.7249 139.7022       160.1728 -265.8116      176.8711 66.26766 26.73646 42.00034 20.64459 24.26733       33.77924 
1 1 1 -12 9  1  o 582.0381 14.59412 9960.825       497.7797 10020.02       697.2339 9899.289       710.8986 583.0156 20.42298 579.4079 20.95505 3.607666       29.26110 
1 1 1 -12 9  2  o 1131.755 26.07055 37809.88       1730.427 37155.60       2407.880 38508.70       2488.499 1117.688 36.78370 1137.632 37.34860 -19.94312      52.42097 
1 1 1 -12 9  3  o 368.1304 11.06233 3982.329       238.5645 3927.034       320.1126 4051.404       357.7843 365.2425 14.97590 370.8403 16.49193 -5.597809      22.27693 
1 1 1 -12 9  4  f 176.7196 15.95772 925.5085       163.6086 0.000000       0.000000 925.5085       163.6086 ?        ?        176.7196 15.95772 0.000000       15.95772 
1 1 1 -12 9  5  o 178.0944 9.691824 933.7073       100.8478 1062.587       139.0529 790.6975       146.4773 189.7946 12.56310 163.2850 15.48075 26.50961       19.93703 
1 1 1 -12 9  6  o 784.5918 15.32249 18094.58       705.0560 18095.62       1202.213 18094.03       870.4669 782.3779 26.23792 784.0865 18.92944 -1.708618      32.35355 
1 1 1 -12 9  7  o 738.9129 12.75698 16037.72       552.8300 15652.99       768.7372 16449.79       795.5936 729.3889 17.97083 747.6988 18.14321 -18.30988      25.53677 
1 1 1 -12 9  8  o 51.58617 19.90216 50.57011       85.23937 28.99041       104.5180 93.43006       147.2971 52.53505 21.44915 68.45910 26.22651 -15.92405      33.88061 
1 1 1 -12 9  9  o 444.2350 9.470606 5792.583       246.7408 5883.271       353.5160 5706.438       344.5454 447.2711 13.49226 440.5050 13.35201 6.766052       18.98202 
1 1 1 -12 9  10 o 237.5941 9.770859 1659.932       135.8599 1781.361       186.4555 1522.494       198.3671 245.8974 12.97509 227.0828 14.97845 18.81458       19.81683 
1 1 1 -12 9  11 o 505.9748 10.08248 7516.187       299.1898 7834.903       436.4417 7233.621       410.9450 516.0673 14.43431 495.8859 14.14475 20.18143       20.20949 
1 1 1 -12 9  12 o 188.2455 10.78555 1044.022       118.5757 1069.965       159.6199 1012.078       177.1258 190.2330 14.41434 184.7380 16.52265 5.494995       21.92650 
1 1 1 -12 9  13 o 283.4483 8.788189 2360.601       145.9146 2369.786       204.3584 2351.047       208.4102 283.7324 12.31027 282.5796 12.60731 1.152740       17.62065 
1 1 1 -12 9  14 o 251.1818 8.496439 1854.073       124.9827 1706.951       168.9328 2031.982       185.7690 240.7304 12.00341 262.6958 12.09026 -21.96545      17.03691 
1 1 1 -12 9  15 o 80.89155 17.14289 200.0056       78.79758 128.0070       104.4555 295.0828       120.0349 67.66801 22.50869 98.09113 21.46329 -30.42312      31.10167 
1 1 1 -12 9  16 o 390.4259 8.447813 4475.345       193.4343 4425.515       279.6529 4521.055       267.8439 387.7874 12.31192 392.0266 11.66269 -4.239166      16.95882 
1 1 1 -12 9  17 o 60.95733 18.41586 110.3915       71.37379 43.79932       95.45948 194.8142       107.4823 52.56223 20.82969 79.94416 22.15759 -27.38193      30.41109 
1 1 1 -12 9  18 o 593.5168 10.60062 10354.64       368.9901 10098.14       518.4835 10617.87       525.2438 585.1980 15.11978 600.3041 14.91898 -15.10614      21.24109 
1 1 1 -12 9  19 o 558.5165 10.11874 9169.877       331.4463 8998.516       469.3303 9340.373       468.1435 552.3699 14.50019 562.8384 14.19356 -10.46857      20.29071 
1 1 1 -12 9  20 o 415.3736 8.404016 5069.164       204.7275 5106.697       298.1411 5035.675       281.6215 416.2838 12.22511 413.4738 11.62515 2.809906       16.87001 
1 1 1 -12 9  21 o 91.45703 13.47376 251.8502       70.10671 329.2438       100.8673 179.5234       97.50961 104.1680 17.10381 76.53339 21.06310 27.63457       27.13290 
1 1 1 -12 9  22 o 567.8151 14.16470 9520.712       471.6988 9649.216       668.9301 9393.618       665.2507 569.3043 20.06621 561.6354 20.22974 7.668884       28.49377 
1 1 1 -12 9  23 o 181.9150 7.364008 974.0283       78.40338 974.3735       278.2982 973.9985       81.71314 177.7906 27.58338 181.8829 7.677633 -4.092285      28.63195 
1 1 1 -12 9  24 o 379.0422 7.226433 4222.340       160.6431 4717.127       428.9030 4141.604       173.2544 397.8224 18.43323 375.3238 7.870961 22.49866       20.04335 
1 1 1 -12 9  25 o 175.0361 7.886268 902.8260       80.74819 793.0432       258.8225 914.6637       84.99025 159.2262 28.77523 176.1418 8.250201 -16.91562      29.93459 
1 1 1 -12 9  26 o 130.1921 9.486071 501.8744       71.93352 540.9464       248.7545 498.3090       75.14394 129.9587 32.67596 129.6626 9.957848 0.2961273      34.15958 
1 1 1 -12 9  27 o 183.9634 7.820822 997.3305       84.18649 892.6853       277.0436 1007.976       88.36509 168.7262 29.04487 184.9030 8.168824 -16.17683      30.17175 
1 1 1 -12 9  28 o 162.8221 8.885324 782.9151       84.52554 697.3382       277.3132 791.6798       88.74856 147.4566 32.90281 163.6812 9.283166 -16.22459      34.18731 
1 1 1 -12 9  29 o 247.6170 7.476776 1804.818       108.4545 1652.516       341.4568 1821.907       114.3773 232.2549 25.48621 248.7393 7.850347 -16.48450      26.66786 
1 1 1 -12 9  30 o 383.0636 7.905467 4316.949       177.6024 4467.163       462.0095 4290.902       192.3850 385.5887 20.50408 381.7936 8.591956 3.795105       22.23149 
1 1 1 -12 9  31 o 245.9410 7.835190 1781.500       112.8695 1079.141       328.9159 1875.246       120.1662 184.6834 31.49619 252.2933 8.131929 -67.60992      32.52903 
1 1 1 -12 9  32 o 40.47893 17.58084 -10.71426      77.56078 -116.3804      277.1886 -1.738376      80.78787 69.98999 31.63556 42.48199 18.19166 27.50800       36.49309 
1 1 1 -12 9  33 o 243.5790 7.699003 1748.542       109.8447 2147.238       337.8763 1701.422       116.1544 265.4942 21.89405 240.1806 8.258356 25.31357       23.39978 
1 1 1 -12 9  34 o 245.2651 7.856770 1774.261       112.8677 1746.957       321.6175 1778.096       120.5338 238.0819 23.33294 245.4314 8.386229 -7.349487      24.79426 
1 1 1 -12 9  35 o 50.11004 19.29720 52.28814       80.03110 200.8910       280.6159 39.13092       83.49892 91.74751 35.90966 48.69987 19.42172 43.04763       40.82533 
1 1 1 -12 9  36 o 63.70793 20.34718 121.9997       85.79623 193.6896       285.1847 114.8655       89.96397 91.07246 36.03067 62.68564 20.89004 28.38683       41.64857 
1 1 1 -12 9  37 o 114.9915 14.81304 402.8732       97.58075 0.000000       0.000000 402.8732       97.58075 ?        ?        114.9915 14.81304 0.000000       14.81304 
1 1 1 -12 9  38 o 26.83937 13.35843 -204.5605      82.93588 -471.7339      288.0725 -180.4142      86.60258 54.80953 26.81786 28.99746 14.29064 25.81207       30.38783 
1 1 1 -12 9  39 o 216.4771 7.771029 1388.877       98.49992 1363.221       135.5953 1417.542       143.3258 213.3898 10.87061 217.4412 11.27765 -4.051453      15.66382 
1 1 1 -12 9  40 o 282.9775 7.241310 2372.385       120.0778 2481.985       173.7402 2272.158       166.1455 287.9468 10.30477 275.4933 10.30131 12.45349       14.57070 
1 1 1 -12 9  41 o 60.59599 20.38418 113.2480       85.63572 115.7185       121.4496 110.8052       120.7676 64.15842 23.98583 63.39116 23.87223 0.7672653      33.84085 
1 1 1 -12 9  42 o 70.76413 20.42948 165.4525       89.49242 196.7824       120.4389 126.8297       133.7238 76.40527 24.07217 66.41920 25.09642 9.986069       34.77499 
1 1 1 -12 9  43 o 123.6185 13.22653 473.0003       94.40279 395.7806       129.9581 559.2674       137.3606 108.6844 21.14986 131.5768 18.29469 -22.89246      27.96448 
1 1 1 -12 9  44 o 151.1918 11.10707 696.8708       97.79952 815.4041       138.3196 578.3726       138.2992 161.3177 14.78437 133.5355 18.12686 27.78214       23.39147 
1 1 1 -12 9  45 o 54.01789 21.11756 74.86965       96.95141 161.7956       137.0898 -12.10768      137.1302 69.67960 25.58718 50.51900 22.58987 19.16061       34.13219 
1 1 1 -12 9  46 o 38.24784 18.03691 -88.36801      105.2264 -87.24164      147.7682 -89.52680      149.8794 46.48657 21.74792 46.69601 21.86429 -0.2094383     30.83860 
1 1 1 -12 9  47 o 44.99278 20.06554 -10.43950      107.4421 86.02103       158.4545 -92.53322      146.1789 61.39677 25.84897 45.65587 21.44577 15.74089       33.58706 
1 1 1 -12 9  48 o 82.32871 23.46768 249.3923       118.8124 293.1088       173.9240 211.1407       162.6902 85.15935 29.04684 74.87231 27.80604 10.28703       40.21063 
1 1 1 -12 9  49 o 133.6388 16.91528 588.4642       129.6100 585.7959       184.3005 591.0751       182.3082 124.5165 26.07481 125.5975 25.61894 -1.081009      36.55442 
1 1 1 -12 10 1  f 435.4223 12.11237 5572.051       309.0070 5490.723       416.3919 5671.742       461.0100 431.8185 16.47205 438.7198 17.95525 -6.901276      24.36635 
1 1 1 -12 10 2  o 482.2810 12.83052 6836.702       362.5843 6776.224       497.8944 6904.989       529.0674 479.6264 17.73094 484.0502 18.67176 -4.423798      25.74919 
1 1 1 -12 10 3  o 338.5740 10.73739 3368.767       212.9381 3508.005       289.4360 3204.485       314.3892 345.2205 14.32684 329.7292 16.30832 15.49124       21.70760 
1 1 1 -12 10 4  o 268.4798 9.571445 2118.370       150.4680 2263.039       214.6051 1978.484       211.0278 277.2389 13.23707 259.1197 13.93766 18.11923       19.22182 
1 1 1 -12 10 5  o 683.6508 13.74728 13732.27       551.1906 13827.23       932.6595 13681.30       683.2824 684.3702 23.27093 681.8024 17.10150 2.567871       28.87901 
1 1 1 -12 10 6  o 368.6173 9.857571 3991.423       212.9149 4278.083       335.9209 3798.932       275.2700 381.2047 15.05508 359.3699 13.08254 21.83487       19.94513 
1 1 1 -12 10 7  o 506.2454 11.20219 7525.427       332.5941 7348.922       533.9926 7637.298       425.1241 499.3830 18.26346 509.5846 14.23885 -10.20154      23.15812 
1 1 1 -12 10 8  o 484.3334 9.994307 6886.345       283.8884 6810.442       397.8532 6965.079       405.2053 481.1875 14.11327 486.6138 14.21366 -5.426300      20.03028 
1 1 1 -12 10 9  o 425.0644 9.552673 5303.724       238.1388 5337.565       337.7357 5270.264       335.8306 425.9820 13.53589 423.2842 13.54557 2.697815       19.14948 
1 1 1 -12 10 10 o 417.7586 9.408556 5123.021       230.5148 5179.338       326.4279 5067.001       325.5682 419.6219 13.28085 415.0308 13.39307 4.591125       18.86148 
1 1 1 -12 10 11 o 627.4743 11.35878 11563.93       418.0020 11573.44       593.1590 11554.55       589.1495 627.0168 16.14369 626.5192 16.04716 0.4976196      22.76247 
1 1 1 -12 10 12 o 932.2654 15.51154 25565.85       848.0961 25340.93       1193.357 25795.38       1205.514 926.7017 21.95734 934.9668 21.98495 -8.265137      31.07190 
1 1 1 -12 10 13 o 216.9254 9.081188 1383.860       115.2768 1349.198       156.9155 1424.500       169.9109 213.9014 12.56372 219.7433 13.24574 -5.841919      18.25641 
1 1 1 -12 10 14 o 208.1401 8.711016 1274.032       106.0996 1296.099       145.9498 1249.301       154.5110 209.6785 11.91766 205.7534 12.86892 3.925156       17.53966 
1 1 1 -12 10 15 o 411.8257 8.680317 4979.554       209.6523 5044.467       305.1830 4921.542       288.5055 414.0269 12.58304 409.0079 12.04051 5.019012       17.41570 
1 1 1 -12 10 16 o 171.6485 9.854698 868.3736       98.78813 862.5668       125.0961 877.9949       161.0250 170.7987 12.57665 171.8705 16.16481 -1.071762      20.48104 
1 1 1 -12 10 17 f 591.6223 15.34732 10320.81       532.0602 10701.54       792.3990 10008.23       717.9858 600.5399 22.53839 581.1588 21.10047 19.38104       30.87408 
1 1 1 -12 10 18 o 275.5179 7.768158 2230.850       125.3963 2261.467       185.2146 2204.940       170.3863 277.0540 11.42333 273.6496 10.63695 3.404449       15.60888 
1 1 1 -12 10 19 o 218.1725 7.820369 1399.801       99.90211 1454.313       145.2286 1350.836       137.6423 222.0587 11.18756 214.0131 11.00326 8.045563       15.69182 
1 1 1 -12 10 20 o 412.1430 8.371398 4991.271       202.3469 4933.966       291.2259 5044.756       281.3528 409.1268 12.15075 413.7925 11.60505 -4.665680      16.80232 
1 1 1 -12 10 21 o 415.4316 9.985011 5077.541       243.2756 5464.592       498.1934 4956.349       278.7725 428.4442 19.88103 410.0453 11.60392 18.39890       23.01969 
1 1 1 -12 10 22 o 381.8208 9.259060 4288.571       207.3371 0.000000       0.000000 4288.571       207.3371 ?        ?        381.8208 9.259060 0.000000       9.259060 
1 1 1 -12 10 23 o 271.2941 6.829236 2163.679       108.5720 1925.817       315.3531 2195.665       115.6418 253.0710 21.44916 273.2529 7.222382 -20.18185      22.63248 
1 1 1 -12 10 24 o 226.7017 6.851653 1511.555       90.99173 1348.348       289.1644 1529.492       95.86142 210.5678 23.83400 228.0111 7.177590 -17.44331      24.89131 
1 1 1 -12 10 25 o 358.0334 7.176305 3768.327       150.6867 3600.871       383.7597 3798.852       163.8462 346.9385 18.93239 359.4031 7.773273 -12.46463      20.46605 
1 1 1 -12 10 26 o 371.1987 7.436089 4051.851       161.8831 3777.619       407.0838 4103.363       176.4335 354.9473 19.63199 373.4599 8.055387 -18.51266      21.22038 
1 1 1 -12 10 27 o 34.89870 15.70214 -32.63867      67.39161 -210.0959      263.6149 -20.23020      69.70794 63.33376 29.43473 37.09870 16.37334 26.23507       33.68219 
1 1 1 -12 10 28 o 159.3593 9.353127 750.6326       87.03040 627.0239       296.4484 762.2909       91.04214 139.0120 36.05913 160.5465 9.714670 -21.53455      37.34482 
1 1 1 -12 10 29 o 225.3239 8.045168 1495.676       106.1440 1317.882       335.9854 1515.389       111.8734 205.9766 28.58246 226.7552 8.427042 -20.77867      29.79886 
1 1 1 -12 10 30 o 63.40928 20.11760 118.7729       83.98536 232.5227       338.3629 111.3048       86.69850 101.3676 39.50204 62.19239 20.49979 39.17524       44.50452 
1 1 1 -12 10 31 o 240.1217 7.694486 1698.189       108.2182 1490.618       332.8159 1722.730       114.4368 219.7834 26.34447 241.7980 8.081151 -22.01457      27.55606 
1 1 1 -12 10 32 o 162.1607 9.550761 778.1981       90.42883 1004.908       318.1162 758.2681       94.31988 177.3281 31.75464 159.9760 10.10468 17.35213       33.32359 
1 1 1 -12 10 33 o 138.8787 10.64894 573.4351       86.07300 384.2904       309.6486 589.2736       89.60432 111.5523 38.72960 140.7415 10.94156 -29.18916      40.24549 
1 1 1 -12 10 34 o 215.5094 8.086920 1370.997       102.0302 1348.361       332.5242 1373.350       107.2013 206.3907 28.20896 215.6210 8.493937 -9.230286      29.46001 
1 1 1 -12 10 35 o 346.4985 7.723080 3539.153       156.9431 3682.149       424.7455 3516.542       168.8957 347.1432 20.96030 345.2396 8.341565 1.903564       22.55917 
1 1 1 -12 10 36 o 60.19025 22.59506 87.30603       108.0048 -69.85334      302.1472 110.3290       115.6456 74.44738 33.39232 64.68063 23.54032 9.766754       40.85577 
1 1 1 -12 10 37 o 320.7163 8.017330 3038.023       150.8000 2799.147       407.9032 3075.840       162.2984 299.1093 23.43999 322.4238 8.590604 -23.31448      24.96460 
1 1 1 -12 10 38 o 108.3667 13.91355 358.6900       86.38906 302.4724       320.4541 363.0958       89.71040 99.65829 38.55133 108.8891 14.40046 -9.230843      41.15311 
1 1 1 -12 10 39 o 209.3974 8.371762 1302.697       102.6036 1493.606       326.6527 1281.800       108.0734 212.3096 26.83232 207.5331 8.900028 4.776505       28.26984 
1 1 1 -12 10 40 o 112.2466 13.47146 387.0883       86.91270 300.2150       123.7729 471.5889       122.0710 94.98234 22.55690 122.2656 17.52422 -27.28330      28.56417 
1 1 1 -12 10 41 o 122.3684 13.07410 459.5770       92.37583 376.9474       125.7869 556.3115       136.1001 107.1563 20.76551 132.2993 18.00784 -25.14299      27.48616 
1 1 1 -12 10 42 f 68.73227 20.37543 155.8635       88.00065 256.6852       123.2050 50.85506       125.7371 86.45518 23.62935 55.92347 23.24749 30.53171       33.14803 
1 1 1 -12 10 43 o 59.66515 20.66245 111.2123       88.10925 121.7569       120.4685 99.08392       129.1998 63.86678 23.88632 61.62734 24.29199 2.239441       34.06842 
1 1 1 -12 10 44 o 53.24676 20.46457 74.23804       89.88203 55.14876       128.8015 92.35778       125.4880 56.02985 23.42853 60.01184 23.84987 -3.981995      33.43221 
1 1 1 -12 10 45 o 96.94754 18.83254 313.7783       103.2170 284.8102       148.3021 340.9939       143.7464 87.55346 26.56597 96.85407 25.10251 -9.300613      36.54979 
1 1 1 -12 10 46 o 116.8117 16.11390 441.4157       107.4543 312.4319       153.1727 566.4050       150.7823 90.64610 26.88404 128.9758 20.62869 -38.32973      33.88650 
1 1 1 -12 10 47 o 55.00580 21.94983 78.10815       106.7160 17.98738       158.0491 128.4843       144.6746 55.21168 24.49651 64.71739 25.64417 -9.505711      35.46410 
1 1 1 -12 10 48 o 86.72913 23.37179 276.3524       121.5452 194.7777       175.9202 350.8593       168.1264 73.04025 28.47733 93.59058 28.26224 -20.55032      40.12122 
1 1 1 -12 10 49 o 47.20925 21.36414 -18.18365      126.8619 32.66883       180.0739 -68.29278      178.7529 58.07702 25.93374 51.31407 23.97803 6.762951       35.32004 
1 1 1 -12 11 1  o 403.1385 11.87651 4776.863       280.4916 4751.230       373.1864 4810.146       425.2419 401.6861 15.87246 403.9342 17.99561 -2.248077      23.99536 
1 1 1 -12 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 11 3  o 910.9177 17.56004 24411.37       938.1129 23020.46       1528.416 25252.09       1188.272 881.4684 29.60745 925.6383 21.88891 -44.16986      36.82018 
1 1 1 -12 11 4  f 411.3637 11.68185 4973.403       281.5452 5008.434       386.9227 4933.983       410.4480 412.4020 16.02805 409.1958 17.14112 3.206146       23.46735 
1 1 1 -12 11 5  o 261.9785 9.857252 2017.534       151.1808 2076.754       210.8324 1954.856       216.9006 265.5124 13.58464 257.5040 14.41998 8.008423       19.81106 
1 1 1 -12 11 6  o 147.1836 12.08906 640.5328       103.4335 624.7659       130.5661 667.1010       169.4877 144.9400 15.60563 149.2113 19.86083 -4.271301      25.25843 
1 1 1 -12 11 7  o 424.3202 10.47152 5286.204       260.5878 5431.719       410.2538 5187.787       337.3923 429.4355 16.31906 419.9438 13.71755 9.491669       21.31860 
1 1 1 -12 11 8  o 400.8369 10.31435 4720.391       242.2698 4643.887       367.8054 4779.022       321.9899 397.0628 15.82630 403.0363 13.64187 -5.973480      20.89431 
1 1 1 -12 11 9  o 505.3181 10.07016 7496.859       298.4364 7673.064       428.3711 7330.679       416.0062 510.7057 14.31620 499.1827 14.22436 11.52295       20.18133 
1 1 1 -12 11 10 o 599.1940 11.05833 10544.35       388.6041 10773.55       559.1383 10330.20       540.4752 604.9897 15.77216 592.4309 15.56912 12.55884       22.16210 
1 1 1 -12 11 11 o 191.1764 10.22505 1076.268       114.2267 1165.592       151.7295 959.4174       173.5404 198.7199 13.09194 179.7938 16.64694 18.92613       21.17828 
1 1 1 -12 11 12 o 780.2988 13.29560 17897.91       608.4421 17806.52       860.4612 17989.30       860.4730 777.3429 18.87418 781.3419 18.77784 -3.998962      26.62409 
1 1 1 -12 11 13 o 104.2334 14.16018 325.3539       84.32545 297.2195       108.8748 367.5339       133.3098 98.69814 19.50093 109.7160 21.48684 -11.01791      29.01673 
1 1 1 -12 11 14 o 334.8077 9.215336 3294.159       180.7773 3319.909       230.5780 3253.082       291.2296 335.8926 11.72285 332.1240 14.99014 3.768677       19.02970 
1 1 1 -12 11 15 o 719.5566 12.34242 15225.14       520.8539 14827.13       725.2473 15649.07       748.5003 709.1066 17.43910 728.4774 17.51965 -19.37079      24.71964 
1 1 1 -12 11 16 o 289.4629 7.873540 2461.913       133.5396 2366.543       189.3364 2556.317       188.3742 283.4815 11.41162 294.6975 10.91807 -11.21597      15.79333 
1 1 1 -12 11 17 o 299.9154 9.882977 2646.315       173.5975 2747.658       243.1447 2540.940       247.9334 305.1678 13.61981 293.3239 14.45696 11.84387       19.86210 
1 1 1 -12 11 18 o 77.55958 17.67379 184.8049       78.59491 182.2795       100.6667 188.7477       125.7818 77.25687 21.45525 79.63050 24.52494 -2.373627      32.58528 
1 1 1 -12 11 19 o 556.6733 10.05173 9113.022       328.1646 9302.177       477.0229 8943.070       452.1641 561.3718 14.50113 550.5417 14.01550 10.83008       20.16722 
1 1 1 -12 11 20 o 150.9215 8.063248 671.1939       71.11025 708.3133       273.5260 668.5032       73.64245 150.3238 32.00774 150.5891 8.371372 -0.2653351     33.08436 
1 1 1 -12 11 21 o 216.7538 7.190881 1381.739       91.28465 1293.706       316.1452 1389.746       95.34574 205.8324 26.82694 217.3546 7.490857 -11.52217      27.85315 
1 1 1 -12 11 22 o 234.9480 8.172109 1624.843       112.4332 0.000000       0.000000 1624.843       112.4332 ?        ?        234.9480 8.172109 0.000000       8.172109 
1 1 1 -12 11 23 o 437.7148 7.807376 5632.809       200.4227 5527.392       501.6831 5652.829       218.6271 430.1068 19.94281 438.3867 8.503470 -8.279846      21.68006 
1 1 1 -12 11 24 o 192.8059 7.585291 1094.688       85.60416 589.6630       283.2930 1145.435       89.80221 135.4356 35.30923 197.2099 7.779661 -61.77432      36.15612 
1 1 1 -12 11 25 o 146.4080 8.963637 633.4087       76.59723 714.3328       295.8610 627.5949       79.30098 148.9910 34.53429 145.6854 9.330413 3.305573       35.77253 
1 1 1 -12 11 26 o 411.3424 7.818953 4977.425       188.6264 4933.452       455.8103 4986.512       207.2008 405.8736 19.20332 411.5840 8.583856 -5.710419      21.03449 
1 1 1 -12 11 27 o 437.4823 8.050650 5631.399       206.5580 5246.971       487.4222 5715.550       228.0476 418.2220 19.92964 440.5882 8.825557 -22.36624      21.79635 
1 1 1 -12 11 28 o 34.32083 15.83582 -58.06932      74.26905 -302.0048      301.2766 -42.28640      76.63404 64.77068 30.53699 36.62757 16.58720 28.14311       34.75116 
1 1 1 -12 11 29 o 222.3093 8.223892 1456.282       107.0376 2074.457       380.3404 1403.111       111.5460 260.6217 25.19739 218.1390 8.736741 42.48270       26.66906 
1 1 1 -12 11 30 o 418.7888 8.070591 5161.133       198.2216 5284.688       508.0451 5138.947       215.2840 419.1789 20.73012 417.7512 8.787058 1.427734       22.51555 
1 1 1 -12 11 31 o 374.8668 7.667295 4135.184       168.5659 4329.253       461.9258 4105.371       181.0514 378.8138 20.87265 373.4070 8.267401 5.406891       22.45033 
1 1 1 -12 11 32 o 51.41808 19.33566 59.79375       79.16643 57.92377       297.2524 59.93651       82.13285 83.35017 35.26389 51.98934 19.66283 31.36084       40.37535 
1 1 1 -12 11 33 o 92.25963 15.61539 260.8105       81.48078 506.4483       312.2863 242.8665       84.40444 123.7050 38.73251 88.67289 16.84596 35.03210       42.23735 
1 1 1 -12 11 34 o 313.8883 7.629027 2903.214       140.4413 3244.777       423.3047 2860.967       148.8736 325.2676 22.32562 311.3828 8.159187 13.88480       23.76984 
1 1 1 -12 11 35 o 342.0140 7.783226 3448.978       156.1184 3816.556       441.8564 3396.544       166.8821 352.9005 21.45034 339.2547 8.387517 13.64575       23.03189 
1 1 1 -12 11 36 o 187.7790 9.329632 1045.686       102.4236 1055.712       342.8136 1044.703       107.3257 177.2985 34.20813 187.5848 9.789515 -10.28630      35.58133 
1 1 1 -12 11 37 o 91.37878 16.96045 260.5072       87.54800 321.6320       353.1733 256.5052       90.36855 104.1012 40.41626 90.45219 17.66918 13.64900       44.10980 
1 1 1 -12 11 38 o 112.8947 13.44383 388.5457       87.26519 22.16186       349.5098 412.9044       90.11939 82.07735 36.42163 116.4228 13.44541 -34.34542      38.82415 
1 1 1 -12 11 39 o 45.22558 18.84821 21.40163       82.95515 -191.9634      313.1701 37.50230       86.02815 66.75537 31.36718 48.15292 19.53410 18.60246       36.95241 
1 1 1 -12 11 40 o 52.06221 21.71741 34.69572       110.2819 71.86063       321.6100 29.74340       117.3998 79.68247 35.16822 52.73298 22.22826 26.94949       41.60408 
1 1 1 -12 11 41 o 124.3167 12.51933 472.8550       90.03518 506.3161       125.2401 437.0645       129.5260 126.3803 17.35498 116.0367 19.73936 10.34367       26.28379 
1 1 1 -12 11 42 o 191.2725 9.036093 1096.586       101.0774 1035.922       136.9954 1169.066       149.7439 183.9147 12.78055 195.1780 13.15871 -11.26338      18.34377 
1 1 1 -12 11 43 o 45.85456 19.40074 21.30619       89.97497 167.6470       121.3210 -157.5628      134.1284 70.74065 24.25632 40.46944 19.43750 30.27121       31.08352 
1 1 1 -12 11 44 o 89.89063 18.92077 269.4425       96.58678 351.6904       139.3035 193.2955       134.0373 99.62710 24.10540 74.45055 25.49686 25.17655       35.08789 
1 1 1 -12 11 45 o 49.03063 20.56733 36.33464       99.74509 13.01476       146.7306 56.36883       136.0014 53.88842 23.77044 56.54082 23.88370 -2.652401      33.69666 
1 1 1 -12 11 46 o 38.18666 18.03434 -90.10573      105.9017 -0.7357274     153.8947 -170.4928      145.9556 53.37470 23.89417 41.36998 19.97222 12.00472       31.14195 
1 1 1 -12 11 47 o 90.92260 21.56192 292.5522       113.2231 440.2516       168.2256 170.2408       153.0862 107.3434 26.80460 69.97083 26.75402 37.37257       37.87169 
1 1 1 -12 11 48 o 82.27211 24.23970 252.9642       124.8601 442.3871       180.3965 78.76887       172.9936 105.1358 28.53373 61.35992 26.45248 43.77588       38.90897 
1 1 1 -12 12 1  o 375.3401 11.69292 4141.303       257.0802 4143.057       336.9958 4138.863       397.6089 375.0873 15.35184 374.5829 18.15318 0.5043945      23.77429 
1 1 1 -12 12 2  o 324.9792 11.13800 3104.770       211.9683 2936.692       268.1204 3384.903       346.1443 315.7643 14.51710 338.7393 17.48287 -22.97501      22.72437 
1 1 1 -12 12 3  f 708.7374 14.33813 14763.06       595.9753 14635.68       988.4540 14835.82       747.0338 703.8412 23.98093 709.7997 17.95986 -5.958557      29.96066 
1 1 1 -12 12 4  o 553.4904 12.04797 8997.979       391.0879 8373.286       604.4270 9447.858       512.9312 532.9003 19.37183 566.6539 15.44885 -33.75360      24.77771 
1 1 1 -12 12 5  o 628.2232 13.03928 11595.45       480.4166 11918.14       812.5575 11422.03       595.6840 635.4301 21.83643 622.9556 16.31858 12.47449       27.26034 
1 1 1 -12 12 6  o 581.6489 12.39947 9938.440       422.9748 9737.931       682.0917 10063.72       539.1569 574.5419 20.27458 584.7753 15.73513 -10.23346      25.66423 
1 1 1 -12 12 7  o 605.1824 12.69173 10760.40       450.4616 10974.78       753.4573 10641.14       561.9525 609.7905 21.09999 601.2758 15.94994 8.514709       26.45015 
1 1 1 -12 12 8  o 153.6009 11.67247 696.9841       104.3621 780.2902       136.7867 580.9453       161.4385 162.2692 14.52684 138.9407 20.42073 23.32857       25.06064 
1 1 1 -12 12 9  o 315.8345 9.463971 2931.067       175.1029 3132.954       267.9857 2780.660       231.3087 326.1522 14.04299 307.3456 12.86102 18.80658       19.04235 
1 1 1 -12 12 10 o 517.1970 10.05381 7854.501       304.9561 7752.340       427.9262 7959.923       434.6997 513.2799 14.22929 520.1072 14.26449 -6.827332      20.14816 
1 1 1 -12 12 11 o 328.9983 8.653279 3179.526       166.8198 3495.170       244.5241 2904.710       228.1625 344.6765 12.11534 314.1502 12.40828 30.52631       17.34205 
1 1 1 -12 12 12 o 104.5658 14.25939 327.5015       85.17020 377.4467       113.2759 262.5437       129.1834 111.8126 17.87594 92.48524 23.70831 19.32735       29.69231 
1 1 1 -12 12 13 o 105.3404 13.30890 331.4948       80.39001 302.4249       105.6562 371.4605       123.8845 99.66129 18.76497 110.5437 19.83768 -10.88238      27.30673 
1 1 1 -12 12 14 o 90.20482 16.07278 246.8663       81.91165 219.4902       99.42993 304.6857       144.5002 84.52228 20.31161 99.44393 24.84867 -14.92165      32.09389 
1 1 1 -12 12 15 o 870.5864 14.53228 22319.83       741.9869 22301.67       1051.213 22337.85       1047.453 868.3599 20.64147 869.0968 20.55019 -0.7368774     29.12697 
1 1 1 -12 12 16 o 591.8275 15.50673 10332.92       537.7639 9714.197       750.5179 10985.73       770.9182 571.9469 22.41800 608.5380 21.63524 -36.59106      31.15526 
1 1 1 -12 12 17 o 378.3984 8.213884 4205.718       182.2839 4081.023       260.8657 4324.697       254.8175 372.2103 11.96583 383.2584 11.34921 -11.04810      16.49199 
1 1 1 -12 12 18 o 407.4231 7.486665 4875.091       178.8894 5089.578       474.1808 4839.498       193.1627 413.9783 19.58615 405.8784 8.114780 8.099915       21.20064 
1 1 1 -12 12 19 o 298.0619 6.821001 2608.892       119.2354 2238.556       343.7857 2659.532       127.1264 273.5193 21.60672 300.9159 7.203441 -27.39661      22.77586 
1 1 1 -12 12 20 o 258.7368 7.020345 1967.843       106.4304 1837.164       339.6244 1982.074       112.0758 246.8453 23.75265 259.6395 7.367662 -12.79422      24.86907 
1 1 1 -12 12 21 o 115.0733 10.81635 393.4117       72.14121 276.8441       312.1497 399.9892       74.14861 104.2059 38.54993 116.0097 11.03087 -11.80378      40.09710 
1 1 1 -12 12 22 o 180.4816 8.904428 960.6100       93.96075 0.000000       0.000000 960.6100       93.96075 ?        ?        180.4816 8.904428 0.000000       8.904428 
1 1 1 -12 12 23 o 207.9033 7.374875 1272.168       89.77969 1606.920       331.2498 1245.628       93.27082 229.6554 24.99686 205.6812 7.745998 23.97415       26.16951 
1 1 1 -12 12 24 o 207.5067 7.284147 1267.461       88.50896 1496.622       335.4331 1250.311       91.76099 220.7896 26.42905 206.0610 7.606025 14.72865       27.50175 
1 1 1 -12 12 25 o 266.8589 7.264277 2095.419       113.5848 1908.129       358.6152 2116.303       119.7502 250.0966 24.77477 268.1402 7.622628 -18.04359      25.92091 
1 1 1 -12 12 26 o 262.8859 7.234346 2033.614       111.4305 1903.827       360.4626 2047.327       117.1695 249.6486 24.95359 263.7261 7.583369 -14.07750      26.08044 
1 1 1 -12 12 27 o 452.9043 8.339075 6036.838       221.5006 5892.329       542.9483 6065.691       242.6073 442.7408 20.96981 453.8253 9.115169 -11.08447      22.86524 
1 1 1 -12 12 28 o 32.25298 15.35279 -101.3792      79.74059 -207.9133      316.0884 -94.13837      82.40592 71.06261 32.74581 33.59481 15.87860 37.46780       36.39256 
1 1 1 -12 12 29 o 192.1101 9.030941 1089.277       101.4650 891.6968       365.2000 1105.805       105.6235 165.0816 38.44083 193.5228 9.333842 -28.44116      39.55778 
1 1 1 -12 12 30 o 151.0640 10.40103 676.3881       91.58601 607.1734       333.5450 682.0322       95.24701 136.1025 39.48466 151.6363 10.78051 -15.53380      40.92991 
1 1 1 -12 12 31 o 301.4138 7.613707 2675.419       134.4813 2722.091       410.7746 2669.816       142.3247 298.6666 23.64405 301.0193 8.069141 -2.352661      24.98304 
1 1 1 -12 12 32 o 220.2304 8.152039 1430.780       105.1100 1143.464       379.0923 1454.707       109.3992 186.7880 35.90965 222.0232 8.416903 -35.23523      36.88289 
1 1 1 -12 12 33 o 148.5234 14.60585 663.7644       125.5809 0.000000       0.000000 663.7644       125.5809 ?        ?        148.5234 14.60585 0.000000       14.60585 
1 1 1 -12 12 34 o 165.3194 9.622705 810.5267       92.89453 812.2133       353.2583 810.4014       96.28318 153.7529 39.09448 165.2363 9.982164 -11.48340      40.34875 
1 1 1 -12 12 35 o 295.9175 7.753787 2584.094       134.4500 2400.443       389.3369 2608.960       143.2634 277.7102 24.14443 297.2214 8.226641 -19.51120      25.50747 
1 1 1 -12 12 36 o 217.3592 8.895353 1399.538       113.1549 1292.941       393.1959 1409.163       118.1532 195.0077 35.69507 218.0143 9.261913 -23.00665      36.87711 
1 1 1 -12 12 37 o 156.9956 10.26637 735.5178       94.00823 535.9141       368.1939 749.4373       97.23086 121.6835 42.23331 158.4107 10.52542 -36.72722      43.52513 
1 1 1 -12 12 38 o 53.41557 19.93517 71.90944       83.82059 593.4393       358.8091 41.80535       86.20583 124.1774 41.72478 48.99635 19.66816 75.18105       46.12802 
1 1 1 -12 12 39 o 108.2326 14.18077 361.5206       87.85062 902.7813       351.6357 325.4876       90.72773 152.5530 39.11952 102.0626 15.65626 50.49033       42.13616 
1 1 1 -12 12 40 o 53.30658 19.70506 76.09006       81.53120 -321.7272      333.5752 101.3653       84.08136 63.08280 30.38916 58.22166 20.18349 4.861137       36.48115 
1 1 1 -12 12 41 o 120.7821 13.06831 448.8158       91.09786 553.9232       123.4625 323.2041       134.9688 132.7564 16.19189 97.18395 23.85913 35.57246       28.83462 
1 1 1 -12 12 42 o 48.41519 19.75320 41.29158       88.56741 248.1282       121.6698 -191.8425      129.1731 84.58974 23.62322 37.81897 18.38283 46.77077       29.93301 
1 1 1 -12 12 43 o 44.07422 19.01073 8.141870       89.44310 -21.52329      125.7308 38.53608       127.2664 48.15009 21.57317 54.17172 23.00315 -6.021626      31.53643 
1 1 1 -12 12 44 o 86.64492 19.31271 252.5997       95.63030 245.7593       139.0360 258.7411       131.7419 82.26041 25.85677 84.71727 24.88237 -2.456856      35.88461 
1 1 1 -12 12 45 o 79.98726 21.49497 223.8216       102.9824 316.5508       149.4189 139.9160       142.1323 91.98650 26.34865 66.59356 25.69761 25.39294       36.80515 
1 1 1 -12 12 46 o 49.91548 21.13428 36.70718       106.9018 -68.64851      160.2837 121.1226       143.4733 49.43202 22.96637 63.92887 25.47060 -14.49685      34.29585 
1 1 1 -12 12 47 o 117.3937 18.26142 461.3284       121.6411 261.5659       176.6228 641.5702       167.7713 81.13214 29.15096 135.3662 21.87875 -54.23402      36.44802 
1 1 1 -12 12 48 o 119.0610 19.00776 480.7980       128.2639 407.3273       184.9457 548.8819       178.0366 99.46653 29.55132 120.6618 25.93134 -21.19526      39.31558 
1 1 1 -12 13 1  o 529.2816 13.88204 8238.694       430.5421 8018.594       577.5403 8514.018       645.9426 521.5066 18.91437 537.1389 20.54273 -15.63226      27.92413 
1 1 1 -12 13 2  o 492.7941 13.11611 7140.455       378.7343 6848.284       505.6972 7513.675       571.5506 482.0303 17.91935 504.7289 19.34420 -22.69852      26.36857 
1 1 1 -12 13 3  o 866.9654 20.38499 22148.30       1036.485 21358.77       1416.753 23057.50       1520.344 848.9429 28.49582 881.7822 29.44012 -32.83929      40.97234 
1 1 1 -12 13 4  o 827.9521 19.51722 20192.90       947.7062 19731.26       1310.869 20698.40       1371.718 816.1902 27.42424 835.7925 28.02403 -19.60229      39.21014 
1 1 1 -12 13 5  o 594.5046 12.62304 10384.15       440.1185 10093.21       704.3799 10570.48       563.7053 584.8274 20.56863 599.2448 16.05420 -14.41736      26.09226 
1 1 1 -12 13 6  o 492.0391 11.31813 7110.675       326.6064 7511.938       534.0950 6870.994       412.7812 504.7914 18.06996 483.2039 14.58264 21.58752       23.22018 
1 1 1 -12 13 7  o 125.1694 12.66763 465.0508       91.71297 564.9709       119.8007 323.5823       142.5485 137.7901 15.07035 102.6310 24.09731 35.15913       28.42175 
1 1 1 -12 13 8  o 392.6765 9.849348 4530.221       226.6470 4579.287       354.5363 4496.310       294.7387 394.2629 15.36230 390.9388 12.87272 3.324036       20.04263 
1 1 1 -12 13 9  o 218.3747 9.268836 1402.542       118.4375 1447.612       163.1277 1352.299       172.2350 221.5880 12.60450 214.0264 13.79503 7.561661       18.68626 
1 1 1 -12 13 10 o 558.4832 11.72426 9164.412       384.0131 9348.117       649.8725 9065.854       476.0054 562.6912 19.72330 554.9729 14.63757 7.718323       24.56149 
1 1 1 -12 13 11 o 372.6433 8.866810 4076.986       193.7810 4201.153       280.0596 3962.936       268.4072 377.8253 12.65676 366.9624 12.48980 10.86282       17.78169 
1 1 1 -12 13 12 o 166.5827 9.534520 817.6429       92.76018 780.2464       122.0056 868.8738       142.8006 162.3807 12.91774 171.2413 14.35095 -8.860550      19.30849 
1 1 1 -12 13 13 o 90.75233 15.03781 248.9117       77.23695 190.4490       99.87529 335.8950       121.8251 78.91412 21.15133 104.8388 20.54862 -25.92468      29.48940 
1 1 1 -12 13 14 o 320.4029 8.126054 3016.298       152.5724 3000.175       217.8820 3031.811       213.7184 319.2104 11.65799 320.9226 11.37308 -1.712219      16.28667 
1 1 1 -12 13 15 o 578.3392 10.47544 9832.112       355.3082 9678.200       504.6684 9983.386       500.3231 572.8603 15.03427 581.9067 14.67213 -9.046448      21.00716 
1 1 1 -12 13 16 o 194.0041 10.96168 1110.422       124.2133 917.0869       316.3896 1145.651       135.0569 171.9876 32.55904 196.9801 11.74411 -24.99251      34.61235 
1 1 1 -12 13 17 o 269.8641 8.306082 2141.582       131.3029 0.000000       0.000000 2141.582       131.3029 ?        ?        269.8641 8.306082 0.000000       8.306082 
1 1 1 -12 13 18 o 135.7672 9.318214 544.4702       73.74567 1053.073       303.5336 512.5649       76.02356 185.1420 28.89803 131.6439 9.919824 53.49814       30.55322 
1 1 1 -12 13 19 o 104.4871 11.16827 325.1059       67.37826 392.2836       308.4912 321.7408       69.04524 115.3835 38.68782 103.8868 11.52617 11.49668       40.36831 
1 1 1 -12 13 20 o 343.1939 7.372169 3460.779       148.3834 2682.113       410.8712 3577.568       159.1226 298.4721 23.66566 348.8971 7.776495 -50.42502      24.91058 
1 1 1 -12 13 21 o 144.3096 8.830496 614.8602       74.37835 216.5476       304.6635 640.1046       76.69913 98.07088 37.68087 147.2426 8.923803 -49.17175      38.72315 
1 1 1 -12 13 22 o 239.5088 8.571382 1689.670       120.2049 0.000000       0.000000 1689.670       120.2049 ?        ?        239.5088 8.571382 0.000000       8.571382 
1 1 1 -12 13 23 o 551.0777 9.137075 8940.716       295.3048 9012.282       709.1432 8925.702       324.8070 547.6063 22.12637 550.3824 10.06260 -2.776123      24.30704 
1 1 1 -12 13 24 o 258.1504 7.289679 1960.939       110.2546 1632.027       351.4043 1996.853       116.1181 230.5560 26.46787 260.4655 7.609654 -29.90947      27.54006 
1 1 1 -12 13 25 o 356.6084 7.399516 3739.720       154.7553 3528.190       429.7904 3771.230       165.8819 342.1415 21.52819 358.0366 7.899889 -15.89505      22.93188 
1 1 1 -12 13 26 o 138.4206 9.890063 567.5614       79.75896 530.8822       308.7265 570.1846       82.56178 128.3301 38.19380 138.6944 10.22191 -10.36427      39.53801 
1 1 1 -12 13 27 o 31.72564 15.06367 -92.94505      75.80247 -326.6166      346.1836 -81.17718      77.68777 69.96652 32.90828 33.25922 15.62634 36.70730       36.42990 
1 1 1 -12 13 28 o 221.3872 8.427485 1444.592       109.2213 2251.193       432.7602 1389.718       112.8753 270.5126 27.66706 217.0733 8.885074 53.43932       29.05874 
1 1 1 -12 13 29 o 287.5564 7.702643 2434.292       129.7843 2437.125       394.2751 2433.948       137.4440 282.9830 23.98247 287.4671 8.160691 -4.484131      25.33290 
1 1 1 -12 13 30 o 113.4056 17.72765 392.7870       114.0485 712.2374       361.4841 357.4736       120.1870 146.3268 40.66455 107.5794 19.77785 38.74744       45.21912 
1 1 1 -12 13 31 o 182.2891 9.106877 982.1046       97.05171 874.9604       372.3574 989.9138       100.5263 161.7058 39.58719 182.9676 9.399685 -21.26178      40.68783 
1 1 1 -12 13 32 o 233.7584 8.520947 1613.164       116.6214 0.000000       0.000000 1613.164       116.6214 ?        ?        233.7584 8.520947 0.000000       8.520947 
1 1 1 -12 13 33 o 133.7986 11.88703 535.1072       92.30731 399.4205       375.4345 543.8373       95.23058 114.6864 42.30416 134.8321 12.17395 -20.14572      44.02099 
1 1 1 -12 13 34 o 55.64661 20.10233 80.29769       84.12598 105.3930       354.1363 78.79684       86.60507 90.95754 38.48680 55.75082 20.35896 35.20673       43.53988 
1 1 1 -12 13 35 o 142.4228 11.40915 606.2279       94.50150 651.4785       363.7185 602.9520       97.86238 135.6976 41.68844 141.9266 11.86562 -6.229019      43.34420 
1 1 1 -12 13 36 o 32.76104 15.53118 -92.21397      79.97324 -503.2397      365.1736 -71.50755      81.96291 63.92173 31.03320 35.03893 16.32772 28.88281       35.06643 
1 1 1 -12 13 37 o 98.39991 14.95472 298.7527       83.58966 175.6600       349.7727 306.2087       86.08405 91.70985 38.49532 99.55724 15.22660 -7.847389      41.39733 
1 1 1 -12 13 38 o 173.3802 9.700426 898.1603       98.24390 1016.874       367.7172 889.0350       101.9499 164.1445 38.81236 172.3499 10.13082 -8.205383      40.11275 
1 1 1 -12 13 39 o 105.4590 14.64946 345.1762       88.16258 813.2004       365.0707 316.1908       90.85159 141.1946 41.40731 100.3467 15.97242 40.84792       44.38112 
1 1 1 -12 13 40 o 40.07222 17.78814 -18.74156      83.44067 208.8916       340.0682 -33.32384      86.07181 88.44038 37.58032 39.18139 17.67689 49.25898       41.53015 
1 1 1 -12 13 41 o 131.2700 12.70647 528.8842       96.60125 418.4006       134.7331 645.7628       138.5776 112.2491 21.24417 142.8808 16.86189 -30.63168      27.12265 
1 1 1 -12 13 42 o 68.03767 20.49540 154.4886       88.49513 60.10660       121.1261 262.5481       129.6058 55.86491 22.98101 86.37665 24.47356 -30.51174      33.57204 
1 1 1 -12 13 43 o 29.80054 14.62903 -161.1587      87.90164 -184.6726      126.1330 -138.9555      122.5670 37.33448 18.15142 39.05162 18.71014 -1.717144      26.06805 
1 1 1 -12 13 44 o 44.56313 19.15497 13.40340       90.20190 -46.54797      129.5201 69.86635       125.6954 46.37564 21.21843 56.88472 23.40653 -10.50908      31.59252 
1 1 1 -12 13 45 o 50.44404 21.05019 44.21225       103.6660 71.71463       147.0026 17.00480       146.2122 59.09971 24.89051 53.88891 23.75125 5.210796       34.40435 
1 1 1 -12 13 46 o 162.2627 13.26451 825.0339       125.1288 904.6179       190.9664 765.1585       165.6411 163.2081 20.39496 151.2365 19.10022 11.97160       27.94231 
1 1 1 -12 13 47 o 145.7913 15.38386 685.0663       129.5559 635.0944       212.8945 714.4561       163.2675 126.3442 29.30142 144.9364 19.71843 -18.59219      35.31841 
1 1 1 -12 13 48 o 46.58350 21.15155 -23.86743      125.6131 -78.09168      191.2873 17.24244       166.5568 52.42226 24.59508 55.52674 24.85764 -3.104477      34.96885 
1 1 1 -12 14 1  o 579.9552 14.57109 9895.276       495.2139 9237.336       655.5057 10770.04       755.8384 559.5131 20.00854 603.9487 21.37291 -44.43555      29.27700 
1 1 1 -12 14 2  o 103.2372 17.00267 321.8462       99.36398 344.0930       117.4062 265.6848       186.5415 106.4201 19.53073 95.21337 29.95313 11.20671       35.75806 
1 1 1 -12 14 3  o 210.0843 10.63067 1299.372       130.5542 1328.445       165.1694 1250.965       213.1299 212.1891 13.34011 205.3624 17.87379 6.826752       22.30316 
1 1 1 -12 14 4  o 373.8150 10.07460 4105.956       220.6678 4311.356       335.4276 3949.230       293.0005 382.5974 14.97773 366.2907 13.66324 16.30670       20.27354 
1 1 1 -12 14 5  o 712.2792 14.28137 14916.96       596.5826 14645.70       986.6024 15073.31       749.0376 703.6800 23.94139 715.4662 17.85106 -11.78619      29.86386 
1 1 1 -12 14 6  o 212.6805 14.04049 1335.653       174.1502 0.000000       0.000000 1335.653       174.1502 ?        ?        212.6805 14.04049 0.000000       14.04049 
1 1 1 -12 14 7  o 499.6606 11.16991 7333.617       327.3219 7715.097       544.7978 7118.124       409.4650 511.4464 18.19185 491.7997 14.21130 19.64670       23.08472 
1 1 1 -12 14 8  o 574.2813 12.02380 9691.129       404.9644 9908.395       683.6419 9573.680       502.6424 579.2495 20.15462 570.2594 15.04235 8.990112       25.14917 
1 1 1 -12 14 9  o 701.3782 13.94739 14468.19       573.7144 14979.74       997.7561 14215.51       701.2336 711.2258 23.95447 694.6885 17.21163 16.53723       29.49673 
1 1 1 -12 14 10 o 42.29118 17.52047 13.08168       71.07446 -70.48608      90.00436 151.5273       115.8467 37.93437 17.47786 72.81133 23.67878 -34.87696      29.43060 
1 1 1 -12 14 11 o 123.2125 11.74919 450.2841       83.87437 511.5552       110.4815 366.9316       128.8609 131.0279 14.62640 109.6693 20.79557 21.35853       25.42415 
1 1 1 -12 14 12 f 82.40273 16.11630 206.9570       75.09425 152.3410       96.67410 290.0457       119.2397 71.40788 21.40150 97.15269 21.49711 -25.74480      30.33397 
1 1 1 -12 14 13 f 454.6707 9.175596 6072.582       244.6706 6208.817       352.5651 5946.018       339.8197 459.1409 13.10652 449.3404 12.90841 9.800476       18.39587 
1 1 1 -12 14 14 o 580.4247 12.44680 9913.604       423.6959 9616.421       765.4246 10044.89       508.7483 568.8207 22.99176 583.6328 14.87534 -14.81201      27.38425 
1 1 1 -12 14 15 o 526.6644 14.62765 8182.925       451.3759 7745.430       641.7143 8611.343       635.0222 510.6008 21.47734 538.8507 20.12955 -28.24988      29.43595 
1 1 1 -12 14 16 o 492.7249 8.381351 7132.833       242.1972 8054.636       650.6599 6984.568       260.9492 520.4427 21.36263 487.4903 9.127240 32.95245       23.23076 
1 1 1 -12 14 17 f 491.7292 8.438334 7105.684       243.3511 7339.082       602.2200 7060.135       266.0391 496.6509 20.72089 490.0437 9.256783 6.607269       22.69457 
1 1 1 -12 14 18 o 301.1364 7.722632 2666.211       136.2764 3673.764       416.2079 2545.225       144.2265 350.9825 20.30639 294.1517 8.368833 56.83078       21.96330 
1 1 1 -12 14 19 o 224.2825 7.191944 1479.367       94.47792 1435.435       348.6278 1482.849       98.15076 216.4912 28.12210 224.5214 7.464309 -8.030182      29.09585 
1 1 1 -12 14 20 o 293.3515 7.055514 2528.442       121.3857 3595.596       412.3517 2427.192       127.0136 346.7610 20.36588 287.2791 7.545221 59.48199       21.71864 
1 1 1 -12 14 21 o 289.8027 6.968180 2467.895       118.4329 2472.952       375.4781 2467.336       124.8038 286.4804 22.52919 289.6432 7.353010 -3.162842      23.69876 
1 1 1 -12 14 22 o 212.6167 8.743649 1332.561       108.7960 0.000000       0.000000 1332.561       108.7960 ?        ?        212.6167 8.743649 0.000000       8.743649 
1 1 1 -12 14 23 o 357.1323 7.363769 3750.110       154.2339 3412.874       414.2643 3804.377       166.1807 336.8521 21.07508 359.6372 7.878897 -22.78510      22.49969 
1 1 1 -12 14 24 o 62.24812 18.25760 117.6691       70.97168 13.06058       326.7281 122.8494       72.70773 84.58929 36.40896 63.50675 18.43815 21.08255       40.81149 
1 1 1 -12 14 25 f 283.0289 7.217796 2356.935       119.7103 1896.994       364.1987 2412.646       126.7532 249.0547 25.28412 286.3106 7.555280 -37.25594      26.38880 
1 1 1 -12 14 26 o 39.59610 17.24023 -12.47961      74.97304 -86.71149      327.4936 -8.374034      77.01842 78.76862 35.08651 40.68504 17.59520 38.08358       39.25117 
1 1 1 -12 14 27 o 201.4663 8.650251 1197.003       101.9691 741.7668       382.7903 1231.774       105.7917 149.8817 41.91750 204.3502 8.848229 -54.46849      42.84119 
1 1 1 -12 14 28 o 302.9749 7.886767 2702.467       140.0189 2402.517       449.8257 2734.648       147.3387 279.3276 27.82855 304.7175 8.252183 -25.38986      29.02631 
1 1 1 -12 14 29 o 185.7738 9.387804 1019.642       101.9504 519.6724       406.7484 1053.158       105.3122 128.8602 44.40561 188.7867 9.542613 -59.92647      45.41938 
1 1 1 -12 14 30 o 249.0370 10.46664 1834.334       152.5291 0.000000       0.000000 1834.334       152.5291 ?        ?        249.0370 10.46664 0.000000       10.46664 
1 1 1 -12 14 31 f 258.2078 7.949168 1965.550       120.2331 1721.304       431.0668 1986.154       125.2018 232.0718 32.56669 259.5080 8.236821 -27.43622      33.59218 
1 1 1 -12 14 32 o 101.9617 14.63599 315.9697       85.01480 139.0930       358.1035 326.5339       87.51679 94.27280 39.21465 103.6391 14.81991 -9.366341      41.92157 
1 1 1 -12 14 33 o 232.4495 8.298030 1595.861       112.9424 1162.156       411.6647 1631.163       117.4491 184.5850 39.23734 234.9608 8.537415 -50.37576      40.15540 
1 1 1 -12 14 34 o 96.67966 15.63459 286.9445       85.62431 -115.8736      349.3789 312.6846       88.31766 77.78806 35.30253 101.0813 15.38243 -23.29324      38.50828 
1 1 1 -12 14 35 o 65.10128 21.72327 125.3958       97.27810 1012.722       374.5177 61.20037       100.7355 170.3668 38.40438 55.04676 21.52400 115.3200       44.02475 
1 1 1 -12 14 36 f 48.90474 19.38389 43.83641       82.68206 -264.5890      375.1514 59.58294       84.76643 72.72169 34.22075 51.81834 19.88439 20.90335       39.57838 
1 1 1 -12 14 37 o 35.25187 16.28997 -57.85553      79.02069 -445.1281      350.3896 -37.10325      81.11025 62.72472 30.43960 37.87238 17.11619 24.85234       34.92181 
1 1 1 -12 14 38 o 69.92138 19.13261 157.8970       80.72025 -124.1654      357.7750 173.0249       82.85662 74.04686 34.37169 73.10399 19.11374 0.9428711      39.32872 
1 1 1 -12 14 39 o 280.4278 8.109245 2338.581       133.2281 2240.443       403.9087 2350.561       141.1263 257.0240 27.20795 280.9146 8.576142 -23.89056      28.52758 
1 1 1 -12 14 40 o 135.7628 11.63698 560.3352       91.76276 257.1280       355.6534 581.9592       94.97856 91.73169 38.67916 138.2966 11.82349 -46.56491      40.44592 
1 1 1 -12 14 41 o 176.8091 10.14752 943.0256       104.7821 982.7805       355.6630 939.2471       109.6486 153.1928 39.37391 176.1999 10.66064 -23.00708      40.79159 
1 1 1 -12 14 42 o 68.79163 20.59496 158.7931       89.56165 69.10123       118.9213 276.3303       136.1353 56.54706 22.95680 88.09628 25.12311 -31.54922      34.03212 
1 1 1 -12 14 43 o 38.94192 17.60525 -29.99682      85.89326 0.4527420      123.3159 -58.69035      119.7073 49.49156 21.81282 43.77057 20.16312 5.720989       29.70438 
1 1 1 -12 14 44 o 73.28873 21.32502 186.5434       97.16168 91.20731       138.0414 280.1480       136.7820 60.54137 24.67573 87.36976 25.26687 -26.82839      35.31723 
1 1 1 -12 14 45 o 92.05198 21.10699 295.3991       111.5136 258.0569       167.2914 325.2595       149.5963 81.86604 28.46469 92.79178 26.29403 -10.92574      38.75067 
1 1 1 -12 14 46 o 52.31778 22.03443 48.72719       115.2041 114.7913       171.1512 -6.001928      155.7781 64.93231 27.06809 52.89051 23.82860 12.04180       36.06222 
1 1 1 -12 14 47 o 39.43351 18.80233 -113.3430      120.6332 81.08599       196.5376 -230.8693      152.8033 63.53411 27.78332 39.49611 19.36798 24.03800       33.86786 
1 1 1 -12 14 48 o 146.3177 16.21350 700.7576       136.7990 940.3445       218.6780 546.7136       175.3460 160.6657 23.93730 120.1359 25.66645 40.52987       35.09645 
1 1 1 -12 15 1  o 421.4471 11.67933 5222.012       288.3983 5286.751       395.9919 5148.887       420.8566 423.5770 15.96915 417.8456 17.21069 5.731354       23.47811 
1 1 1 -12 15 2  o 523.4469 13.38863 8059.429       410.6793 7705.090       553.7196 8492.650       612.2589 511.0819 18.50403 536.4277 19.49378 -25.34586      26.87762 
1 1 1 -12 15 3  o 913.0563 21.30023 24598.79       1140.597 24928.50       1625.910 24279.30       1600.486 915.7702 30.31507 903.7856 30.23764 11.98462       42.81727 
1 1 1 -12 15 4  o 142.9256 10.99169 603.5566       91.42784 589.2505       111.3985 633.0797       160.0294 140.9181 13.64986 145.3121 19.25106 -4.394058      23.59919 
1 1 1 -12 15 5  o 702.8615 14.04852 14527.48       579.0962 14180.26       957.5640 14727.70       727.1351 692.2320 23.62122 707.1307 17.53335 -14.89874      29.41735 
1 1 1 -12 15 6  o 390.1790 9.812726 4473.465       224.3671 4203.775       333.5134 4696.428       303.2477 377.6870 15.08709 399.4885 12.96038 -21.80148      19.88949 
1 1 1 -12 15 7  o 440.6487 10.38901 5703.422       268.4832 6024.617       437.5764 5509.497       340.0065 452.0068 16.53449 432.6439 13.41625 19.36288       21.29285 
1 1 1 -12 15 8  o 354.5529 9.401834 3694.183       195.3263 3752.512       299.8342 3651.178       257.4509 356.8351 14.35657 352.1917 12.48395 4.643372       19.02525 
1 1 1 -12 15 9  o 226.8018 8.816878 1512.716       117.0533 1505.111       165.3398 1520.358       165.7378 225.9005 12.52894 227.0488 12.49480 -1.148331      17.69447 
1 1 1 -12 15 10 o 500.5312 10.96135 7363.103       321.7700 7596.646       537.1162 7232.370       401.8624 507.1089 18.08892 495.5456 13.84104 11.56332       22.77682 
1 1 1 -12 15 11 o 40.64074 16.71099 14.97710       64.01147 -37.04226      78.82080 115.7442       109.7028 38.00626 17.05057 66.12215 23.04672 -28.11588      28.66833 
1 1 1 -12 15 12 o 286.6060 7.690981 2413.547       129.1590 0.000000       0.000000 2413.547       129.1590 ?        ?        286.6060 7.690981 0.000000       7.690981 
1 1 1 -12 15 13 o 201.7999 7.791047 1197.620       92.03449 1118.328       389.2807 1202.314       94.71975 189.4650 36.35534 202.1794 8.004093 -12.71440      37.22602 
1 1 1 -12 15 14 o 558.9892 9.200600 9182.431       301.6269 9585.723       738.6556 9101.727       330.4315 567.7847 22.22529 556.4016 10.12611 11.38312       24.42338 
1 1 1 -12 15 15 o 415.1753 10.32024 5069.525       251.2881 4840.909       488.2373 5151.909       293.0884 403.3974 20.70632 418.1542 11.96350 -14.75687      23.91395 
1 1 1 -12 15 16 o 142.1928 9.279411 596.9568       76.96076 437.1830       292.1141 608.8743       79.77937 119.6654 37.45963 143.5848 9.527854 -23.91942      38.65234 
1 1 1 -12 15 17 o 445.8723 9.934315 5848.906       259.7759 0.000000       0.000000 5848.906       259.7759 ?        ?        445.8723 9.934315 0.000000       9.934315 
1 1 1 -12 15 18 o 252.4386 7.877308 1874.711       116.4802 2953.213       404.4609 1777.173       121.6334 313.8219 22.11736 245.7164 8.453085 68.10550       23.67768 
1 1 1 -12 15 19 o 68.71635 19.79957 143.7601       84.13563 0.000000       0.000000 143.7601       84.13563 ?        ?        68.71635 19.79957 0.000000       19.79957 
1 1 1 -12 15 20 o 41.25322 16.99918 15.49311       66.42448 53.19268       314.3106 13.73066       67.95941 86.30908 36.37545 41.38939 17.13821 44.91969       40.21059 
1 1 1 -12 15 21 o 410.0951 7.746956 4945.250       186.3229 4843.661       490.3351 4962.394       201.4323 401.9002 20.87446 410.7119 8.362600 -8.811615      22.48724 
1 1 1 -12 15 22 o 161.6702 9.816982 772.8621       92.64175 0.000000       0.000000 772.8621       92.64175 ?        ?        161.6702 9.816982 0.000000       9.816982 
1 1 1 -12 15 23 o 306.9596 7.179462 2770.311       129.2479 2655.420       389.1561 2784.555       137.0261 296.2936 22.56471 307.6997 7.593215 -11.40613      23.80804 
1 1 1 -12 15 24 o 56.96827 18.92414 92.27790       73.84090 -144.4689      348.0478 103.4363       75.56101 78.32818 35.42254 59.49221 19.10463 18.83597       40.24604 
1 1 1 -12 15 25 o 284.4147 7.489263 2380.635       124.8141 2097.305       386.3530 2413.650       131.8859 261.9297 25.47196 286.3291 7.861283 -24.39941      26.65747 
1 1 1 -12 15 26 o 274.5443 7.732807 2218.858       124.3848 1711.944       421.5860 2267.191       130.1798 233.9066 31.53477 277.4821 8.007786 -43.57552      32.53561 
1 1 1 -12 15 27 f 277.1963 8.036009 2262.685       130.5028 2063.213       443.6736 2281.577       136.5432 257.8084 29.89746 278.3018 8.375252 -20.49347      31.04840 
1 1 1 -12 15 28 o 137.8954 11.45132 565.4041       91.77465 189.0450       385.8018 587.9786       94.48695 102.0027 41.37154 140.6214 11.55892 -38.61875      42.95594 
1 1 1 -12 15 29 o 147.0513 13.92238 647.0666       118.6397 -10.58708      418.6532 704.4922       123.7111 92.63458 40.52837 153.4978 13.89244 -60.86324      42.84330 
1 1 1 -12 15 30 o 45.77100 18.92258 19.41022       82.66817 87.07217       386.2686 16.16230       84.62904 94.51029 40.10139 45.78339 19.05559 48.72691       44.39861 
1 1 1 -12 15 31 o 77.97215 18.32863 189.8795       82.39142 -49.92031      370.8101 202.3332       84.50378 84.51557 37.50869 80.51324 18.31108 4.002335       41.73964 
1 1 1 -12 15 32 o 59.45787 19.76466 102.4046       80.54268 1.871282       410.6606 106.4265       82.13796 90.78030 39.91544 60.41980 19.95500 30.36050       44.62560 
1 1 1 -12 15 33 o 168.9803 9.567835 846.8422       94.43266 1261.432       375.8844 818.9123       97.56167 195.4811 34.02193 166.0615 10.06476 29.41960       35.47945 
1 1 1 -12 15 34 o 304.1093 7.879890 2730.541       140.4217 2422.426       419.2163 2769.480       149.0311 277.1789 26.09563 306.1554 8.307798 -28.97653      27.38616 
1 1 1 -12 15 35 o 76.05737 18.75522 183.1617       83.12505 -264.5598      404.3274 202.9205       84.93949 76.31426 35.78968 80.12652 18.45582 -3.812256      40.26809 
1 1 1 -12 15 36 o 151.4463 10.82560 686.7849       95.51855 962.1299       390.1984 669.2332       98.51591 160.3210 41.25956 149.3412 11.33263 10.97983       42.78761 
1 1 1 -12 15 37 o 75.72673 19.02724 184.8695       84.38757 -65.34607      372.7569 198.3862       86.63691 78.70975 36.00631 78.44798 19.02833 0.2617722      40.72507 
1 1 1 -12 15 38 o 66.34754 19.19333 141.7910       78.91585 -417.3441      374.7673 167.7339       80.72587 64.91257 31.49651 71.91112 18.89770 -6.998543      36.73082 
1 1 1 -12 15 39 o 48.43894 19.31266 46.04562       82.54264 259.1749       374.0349 35.13478       84.62910 93.28880 39.51690 47.20879 19.29078 46.08001       43.97408 
1 1 1 -12 15 40 o 125.0033 12.68023 479.6255       91.67589 179.7841       342.8466 502.7153       95.14027 85.55059 37.06067 127.9254 12.85518 -42.37477      39.22689 
1 1 1 -12 15 41 o 78.30029 20.18835 206.1043       93.30203 635.7375       346.9163 172.6048       96.87125 118.1612 40.99572 71.56409 21.41750 46.59714       46.25320 
1 1 1 -12 15 42 o 108.6395 14.46031 371.6980       89.84725 358.1599       120.3420 388.7482       135.0530 103.1575 20.61291 106.4292 22.34937 -3.271667      30.40372 
1 1 1 -12 15 43 f 152.2931 11.13829 709.5130       98.79514 808.3242       142.8145 618.8315       136.8134 159.6593 15.44465 138.2808 17.24373 21.37856       23.14916 
1 1 1 -12 15 44 o 50.03802 21.05016 38.59214       104.9510 14.78609       156.4594 58.06637       141.5103 55.19421 24.43683 57.21720 24.27469 -2.022984      34.44444 
1 1 1 -12 15 45 o 113.9324 16.98242 425.5652       110.0128 221.9983       156.2682 625.5934       154.9041 77.05836 27.45053 135.8848 20.03823 -58.82646      33.98620 
1 1 1 -12 15 46 o 71.99046 23.96428 188.5019       118.3976 193.9865       174.9118 183.8638       160.8496 73.07020 28.42207 71.57876 27.41028 1.491440       39.48592 
1 1 1 -12 15 47 o 156.5297 15.02418 787.0238       136.2320 895.8223       214.9370 713.9667       176.1290 157.2279 24.07456 142.6577 21.73756 14.57019       32.43618 
1 1 1 -12 16 1  o 743.3643 17.69361 16281.81       771.3804 16112.48       1076.169 16460.75       1106.246 737.3502 24.92187 745.1496 25.35075 -7.799438      35.54940 
1 1 1 -12 16 2  o 528.6893 13.40790 8224.363       415.3951 7688.059       553.5197 8915.840       628.5156 510.3519 18.52396 549.4472 19.53580 -39.09534      26.92183 
1 1 1 -12 16 3  o 179.1635 10.08451 945.7541       105.5355 866.3732       129.1986 1104.925       182.9500 171.1747 12.96611 193.0320 16.31298 -21.85730      20.83827 
1 1 1 -12 16 4  o 143.3853 10.75637 607.3761       89.79327 634.2998       111.6773 558.1402       151.0216 146.2856 13.15749 136.2017 19.45872 10.08398       23.48960 
1 1 1 -12 16 5  o 370.4680 9.599741 4033.438       208.3985 4017.160       315.6642 4046.013       277.4585 369.1871 14.60786 370.7322 12.78018 -1.545166      19.40934 
1 1 1 -12 16 6  o 194.4720 9.247401 1113.141       105.1674 1105.012       140.4087 1123.528       158.7291 193.4671 12.44068 194.9176 13.97809 -1.450531      18.71250 
1 1 1 -12 16 7  o 263.3620 8.852013 2039.053       136.5300 2040.799       195.9839 2037.408       190.3064 263.1186 12.73827 262.9380 12.37570 0.1806030      17.76011 
1 1 1 -12 16 8  o 129.4256 10.44894 495.4051       78.63902 468.9659       102.3213 533.5573       122.9139 125.4374 14.15573 133.6267 16.00183 -8.189240      21.36453 
1 1 1 -12 16 9  o 101.4434 20.76629 315.3000       119.3835 0.000000       0.000000 315.3000       119.3835 ?        ?        101.4434 20.76629 0.000000       20.76629 
1 1 1 -12 16 10 o 423.8125 8.745922 5275.616       217.3851 0.000000       0.000000 5275.616       217.3851 ?        ?        423.8125 8.745922 0.000000       8.745922 
1 1 1 -12 16 11 o 365.5187 8.067984 3923.558       172.9518 0.000000       0.000000 3923.558       172.9518 ?        ?        365.5187 8.067984 0.000000       8.067984 
1 1 1 -12 16 12 o 560.9778 10.39226 9252.301       341.9057 0.000000       0.000000 9252.301       341.9057 ?        ?        560.9778 10.39226 0.000000       10.39226 
1 1 1 -12 16 13 o 280.8356 7.753136 2318.144       127.5746 0.000000       0.000000 2318.144       127.5746 ?        ?        280.8356 7.753136 0.000000       7.753136 
1 1 1 -12 16 14 o 428.8737 9.312246 5407.005       234.2256 5472.759       538.2893 5391.648       260.1444 428.6695 21.47972 428.1381 10.36049 0.5314026      23.84781 
1 1 1 -12 16 15 o 358.7555 9.001043 3786.031       189.2338 0.000000       0.000000 3786.031       189.2338 ?        ?        358.7555 9.001043 0.000000       9.001043 
1 1 1 -12 16 16 o 405.8278 7.658682 4839.156       182.2831 5300.652       512.2552 4772.247       195.0500 421.5877 20.78206 402.9477 8.253664 18.63998       22.36106 
1 1 1 -12 16 17 o 278.5604 8.096723 2282.812       132.1351 0.000000       0.000000 2282.812       132.1351 ?        ?        278.5604 8.096723 0.000000       8.096723 
1 1 1 -12 16 18 f 230.4529 8.697471 1564.199       117.3398 0.000000       0.000000 1564.199       117.3398 ?        ?        230.4529 8.697471 0.000000       8.697471 
1 1 1 -12 16 19 o 47.44236 18.02125 47.56157       69.17027 -565.2328      344.6876 73.27462       70.60656 61.81744 30.04352 52.70157 18.48097 9.115868       35.27264 
1 1 1 -12 16 20 o 454.7077 8.804012 6084.496       234.7813 0.000000       0.000000 6084.496       234.7813 ?        ?        454.7077 8.804012 0.000000       8.804012 
1 1 1 -12 16 21 o 273.7564 7.089970 2204.457       113.7348 2705.263       428.0611 2166.417       117.9753 298.4061 24.68001 271.3422 7.420465 27.06387       25.77142 
1 1 1 -12 16 22 o 191.0059 9.117840 1076.762       101.8435 1257.512       380.7006 1062.830       105.6958 199.0861 33.81389 189.7066 9.530547 9.379456       35.13133 
1 1 1 -12 16 23 o 352.8426 7.594070 3661.718       157.1470 3360.229       450.1967 3703.550       167.6952 333.1423 23.18682 354.7852 8.059435 -21.64288      24.54756 
1 1 1 -12 16 24 o 68.66415 18.41961 145.5244       75.70387 -160.1816      396.1653 157.1106       77.12511 83.37421 37.73964 71.24146 18.34804 12.13275       41.96345 
1 1 1 -12 16 25 o 32.69537 15.48664 -93.53920      79.18520 -375.2906      365.7998 -79.68726      81.10836 70.66060 33.41475 34.39883 16.09921 36.26177       37.09084 
1 1 1 -12 16 26 o 241.9263 8.304079 1724.416       117.6470 2145.178       433.9836 1691.042       122.2236 263.6312 28.52264 239.5134 8.715646 24.11778       29.82454 
1 1 1 -12 16 27 o 88.78938 18.17091 243.5293       91.43061 0.000000       0.000000 243.5293       91.43061 ?        ?        88.78938 18.17091 0.000000       18.17091 
1 1 1 -12 16 28 o 153.2679 10.68081 696.7262       95.40691 848.5009       405.9441 687.8525       98.15632 158.9800 42.65615 152.2200 11.07069 6.759979       44.06935 
1 1 1 -12 16 29 o 164.9260 10.09844 805.7985       97.20908 775.6480       396.4544 807.7272       100.2700 151.3992 42.77198 165.0717 10.41035 -13.67245      44.02065 
1 1 1 -12 16 30 o 327.2225 7.843950 3153.824       150.5319 3189.854       476.1388 3149.823       158.6703 321.4950 25.46050 326.8279 8.284687 -5.332947      26.77449 
1 1 1 -12 16 31 o 237.0291 8.197269 1658.329       113.7804 1148.236       424.4099 1697.830       118.1037 183.3653 40.54372 239.7977 8.410873 -56.43236      41.40695 
1 1 1 -12 16 32 o 266.1675 7.904361 2090.583       123.2511 2367.846       485.4412 2071.478       127.4267 271.6751 31.02290 264.8813 8.212655 6.793884       32.09155 
1 1 1 -12 16 33 o 35.19814 16.37650 -70.82935      81.94973 -294.4741      395.0848 -60.77458      83.77165 75.23150 35.31250 36.61801 16.86792 38.61349       39.13438 
1 1 1 -12 16 34 o 170.0063 13.43205 869.0288       132.8363 0.000000       0.000000 869.0288       132.8363 ?        ?        170.0063 13.43205 0.000000       13.43205 
1 1 1 -12 16 35 o 60.62261 20.25203 108.8272       84.54374 230.7729       377.0829 102.3728       86.75227 98.23120 40.49278 59.61330 20.50903 38.61790       45.39037 
1 1 1 -12 16 36 f 46.86225 19.00692 33.77823       81.42960 -128.8592      341.2780 43.59628       83.85144 73.44422 33.90847 48.83969 19.46757 24.60453       39.09949 
1 1 1 -12 16 37 o 166.8495 9.555151 832.3250       93.10930 995.6517       372.2201 821.4230       96.16661 160.2537 39.78809 165.6171 9.946596 -5.363464      41.01252 
1 1 1 -12 16 38 o 94.52722 14.75181 279.0582       79.11140 127.4472       362.0428 286.6603       81.07056 85.56707 37.55541 95.76676 14.92033 -10.19969      40.41070 
1 1 1 -12 16 39 o 154.0289 10.67035 716.2474       95.79409 634.6976       405.7826 721.0605       98.58042 119.3669 43.98948 154.4288 10.95572 -35.06189      45.33323 
1 1 1 -12 16 40 o 120.3960 13.22883 447.9109       91.87093 65.36969       348.1058 476.5504       95.24789 78.80508 35.55168 124.1981 13.28244 -45.39303      37.95188 
1 1 1 -12 16 41 o 59.75921 20.93145 111.1530       90.55501 -379.8256      339.6978 148.7121       93.95484 59.92588 29.27861 66.85729 21.28597 -6.931408      36.19848 
1 1 1 -12 16 42 o 49.86030 20.07598 52.12373       90.11015 -152.8534      385.4261 63.97548       92.67862 70.14655 33.49135 51.98758 20.54865 18.15896       39.29272 
1 1 1 -12 16 43 o 49.49483 20.64815 39.87457       99.70174 -133.5820      138.4518 226.7131       143.6933 42.20671 20.12978 78.78295 26.40394 -36.57624      33.20205 
1 1 1 -12 16 44 f 95.29532 20.30566 312.2276       110.0107 334.3281       158.6781 291.7733       152.6541 93.36516 27.27646 87.42926 27.03396 5.935898       38.40365 
1 1 1 -12 16 45 o 40.37701 18.80416 -65.97764      108.4580 -44.50674      148.3098 -90.65990      159.0146 49.06863 22.54505 47.73861 22.40619 1.330017       31.78548 
1 1 1 -12 16 46 o 55.72667 23.04418 72.24112       122.6445 214.6395       175.0567 -65.03297      171.8781 75.24238 28.64833 50.84563 23.67698 24.39675       37.16619 
1 1 1 -12 16 47 o 157.3582 13.91142 787.1374       127.0631 781.6717       172.2317 793.6649       188.2195 150.9682 19.93963 149.7990 22.08610 1.169220       29.75542 
1 1 1 -12 17 1  o 849.4810 19.95055 21311.48       993.9376 20462.03       1356.323 22296.78       1460.760 829.1163 27.93300 865.1122 28.83122 -35.99597      40.14339 
1 1 1 -12 17 2  o 301.6180 9.860706 2675.209       174.1934 2429.872       221.5578 3072.356       281.8910 287.1092 13.19325 322.6967 14.93536 -35.58759      19.92804 
1 1 1 -12 17 3  o 473.5031 12.31538 6597.260       341.7059 6622.850       477.4050 6570.377       489.3049 473.6458 17.21495 471.6693 17.72003 1.976501       24.70534 
1 1 1 -12 17 4  o 395.8561 11.01874 4609.082       255.5626 4572.002       350.9626 4650.935       372.8717 393.7161 15.22814 396.9788 16.04862 -3.262726      22.12362 
1 1 1 -12 17 5  o 506.8943 11.24664 7552.832       334.3417 7436.862       530.7642 7629.121       430.4889 501.7083 18.06798 508.8458 14.43991 -7.137512      23.12926 
1 1 1 -12 17 6  o 497.8632 14.24555 7303.643       415.5211 0.000000       0.000000 7303.643       415.5211 ?        ?        497.8632 14.24555 0.000000       14.24555 
1 1 1 -12 17 7  o 275.7655 7.397281 2234.100       119.5281 0.000000       0.000000 2234.100       119.5281 ?        ?        275.7655 7.397281 0.000000       7.397281 
1 1 1 -12 17 8  o 271.2050 7.589507 2161.207       120.5965 0.000000       0.000000 2161.207       120.5965 ?        ?        271.2050 7.589507 0.000000       7.589507 
1 1 1 -12 17 9  o 425.3329 8.601283 5313.865       214.5570 0.000000       0.000000 5313.865       214.5570 ?        ?        425.3329 8.601283 0.000000       8.601283 
1 1 1 -12 17 10 o 166.7336 8.478384 818.7174       82.63400 0.000000       0.000000 818.7174       82.63400 ?        ?        166.7336 8.478384 0.000000       8.478384 
1 1 1 -12 17 11 o 135.4819 9.570827 542.1913       75.55743 0.000000       0.000000 542.1913       75.55743 ?        ?        135.4819 9.570827 0.000000       9.570827 
1 1 1 -12 17 12 o 463.0620 9.109502 6302.285       247.3913 0.000000       0.000000 6302.285       247.3913 ?        ?        463.0620 9.109502 0.000000       9.109502 
1 1 1 -12 17 13 o 560.7318 10.35341 9249.557       340.4781 0.000000       0.000000 9249.557       340.4781 ?        ?        560.7318 10.35341 0.000000       10.35341 
1 1 1 -12 17 14 o 135.9832 16.21654 554.3806       126.7829 0.000000       0.000000 554.3806       126.7829 ?        ?        135.9832 16.21654 0.000000       16.21654 
1 1 1 -12 17 15 o 232.9910 8.253208 1597.614       112.5968 0.000000       0.000000 1597.614       112.5968 ?        ?        232.9910 8.253208 0.000000       8.253208 
1 1 1 -12 17 16 o 304.2521 7.779066 2722.404       138.6932 3717.693       443.5104 2614.523       146.0165 352.3828 21.56369 298.0911 8.360485 54.29172       23.12770 
1 1 1 -12 17 17 o 352.7253 7.285805 3656.068       150.7179 4314.415       461.0455 3577.295       159.4801 379.7741 20.77905 348.8513 7.794991 30.92276       22.19304 
1 1 1 -12 17 18 o 197.2390 7.838243 1145.570       90.48912 1970.754       360.8693 1090.203       93.47557 254.9415 24.43438 192.3558 8.305520 62.58563       25.80737 
1 1 1 -12 17 19 o 61.48167 18.12326 114.3536       69.78330 207.8955       360.8952 110.7203       71.12562 101.9689 40.47134 60.75332 18.39015 41.21562       44.45365 
1 1 1 -12 17 20 o 219.5186 7.483530 1418.558       96.20393 1733.465       404.7263 1399.700       99.04266 236.4366 29.85158 218.0212 7.758287 18.41533       30.84328 
1 1 1 -12 17 21 o 40.68202 17.16588 5.429690       70.12907 0.000000       0.000000 5.429690       70.12907 ?        ?        40.68202 17.16588 0.000000       17.16588 
1 1 1 -12 17 22 o 255.4902 7.410383 1921.179       110.9191 2231.323       417.6325 1897.642       115.0510 269.7072 26.75519 253.8770 7.736128 15.83023       27.85117 
1 1 1 -12 17 23 o 142.4601 10.22876 601.3998       84.89191 766.3078       398.0583 593.5421       86.89089 152.0456 42.82504 141.4746 10.54829 10.57097       44.10500 
1 1 1 -12 17 24 o 216.8897 8.346018 1386.434       105.9638 1472.547       446.3316 1381.290       109.0825 214.2521 36.84912 216.4512 8.610176 -2.199127      37.84168 
1 1 1 -12 17 25 o 180.7502 10.15771 966.1293       107.2443 1022.417       496.4827 963.3743       109.8374 173.7620 47.41052 180.4515 10.42296 -6.689484      48.54272 
1 1 1 -12 17 26 o 114.2889 17.65830 398.0197       114.5488 -34.31528      425.4953 431.8017       118.9399 92.66814 40.69155 119.1652 17.54319 -26.49704      44.31214 
1 1 1 -12 17 27 o 231.1280 8.553618 1575.146       115.7453 1356.273       395.6706 1595.628       121.0400 206.2397 33.88828 232.5769 8.890213 -26.33717      35.03500 
1 1 1 -12 17 28 o 209.9263 8.938148 1301.066       109.7918 1117.523       380.1166 1317.772       114.6796 185.1423 36.30546 211.2167 9.280447 -26.07440      37.47283 
1 1 1 -12 17 29 o 47.54480 19.26695 30.35394       83.58914 -195.0849      350.9531 43.91188       86.06598 75.42846 34.66536 50.12390 19.80514 25.30456       39.92407 
1 1 1 -12 17 30 o 127.9870 12.60447 490.8098       93.38441 547.4138       393.8618 487.4382       96.12540 128.4326 43.71287 127.4465 13.04437 0.9860611      45.61766 
1 1 1 -12 17 31 o 100.7503 15.67389 310.5643       89.60295 -475.0475      427.3502 346.6895       91.63992 73.10075 35.00030 106.7231 15.05923 -33.62239      38.10251 
1 1 1 -12 17 32 o 53.88812 19.95308 70.89073       83.65800 -105.0613      399.7729 78.94878       85.55220 83.86874 37.94242 55.59959 20.24536 28.26915       43.00583 
1 1 1 -12 17 33 o 143.6880 11.32372 617.0044       94.65385 708.6294       457.8728 612.9139       96.74361 139.2495 47.13439 143.1361 11.62448 -3.886627      48.54667 
1 1 1 -12 17 34 o 54.20485 20.15898 72.53464       85.56747 -427.0084      409.1722 95.38003       87.50221 71.12183 34.10459 58.51436 20.56941 12.60747       39.82742 
1 1 1 -12 17 35 o 138.0055 11.40064 572.4031       91.45096 360.6035       401.9137 583.9676       93.91443 106.9590 42.62526 139.3433 11.59703 -32.38430      44.17469 
1 1 1 -12 17 36 o 231.3316 8.322274 1589.583       112.7247 1134.330       398.0632 1629.274       117.5360 172.3282 40.13654 234.1135 8.574882 -61.78525      41.04230 
1 1 1 -12 17 37 o 61.84576 19.39785 120.7440       78.29208 17.07121       368.2402 125.6523       80.12397 80.82964 36.50589 62.94756 19.60557 17.88208       41.43740 
1 1 1 -12 17 38 o 39.24015 17.32467 -14.33834      78.11012 82.24966       381.3000 -18.56914      79.80250 83.78751 37.55225 39.18509 17.39508 44.60242       41.38551 
1 1 1 -12 17 39 o 245.8608 8.434806 1803.946       121.4427 1709.322       430.2653 1812.137       126.5897 210.9262 36.07784 246.2406 8.779786 -35.31441      37.13078 
1 1 1 -12 17 40 o 47.07989 19.47327 33.35879       87.60862 -74.97197      385.6974 39.25208       89.96005 74.42468 34.92004 48.32701 19.83447 26.09767       40.15987 
1 1 1 -12 17 41 o 51.06896 20.18731 60.11770       89.45488 -76.42326      388.7409 67.75217       91.92173 73.64768 34.71155 52.58656 20.56118 21.06112       40.34420 
1 1 1 -12 17 42 o 42.14208 18.52732 -4.780882      88.45152 199.1059       395.6487 -15.50712      90.74837 84.22285 37.95723 41.48393 18.47462 42.73892       42.21449 
1 1 1 -12 17 43 o 149.4952 12.08598 690.8070       105.0616 899.5682       147.3082 474.6805       149.8843 168.4044 15.07425 116.4176 22.76869 51.98679       27.30652 
1 1 1 -12 17 44 o 83.67815 20.95707 245.0571       102.6131 156.4792       142.3097 340.9858       148.0970 68.21771 25.86375 95.30312 25.84845 -27.08541      36.56605 
1 1 1 -12 17 45 o 55.48465 22.13410 81.75655       108.4820 159.5802       152.9001 2.872187       153.9386 68.50200 26.59357 53.21761 23.85512 15.28439       35.72513 
1 1 1 -12 17 46 o 52.78357 22.33750 50.37208       119.3219 10.82463       164.1670 94.66228       173.7322 54.89977 24.62003 62.78097 26.77502 -7.881199      36.37373 
1 1 1 -12 18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 18 2  o 327.2693 10.02867 3150.241       192.2588 2987.783       253.5709 3369.926       294.8682 318.3000 13.61497 337.8943 14.91655 -19.59427      20.19581 
1 1 1 -12 18 3  o 193.6403 14.98707 1111.260       168.8775 0.000000       0.000000 1111.260       168.8775 ?        ?        193.6403 14.98707 0.000000       14.98707 
1 1 1 -12 18 4  o 401.3802 9.388332 4733.216       221.0014 0.000000       0.000000 4733.216       221.0014 ?        ?        401.3802 9.388332 0.000000       9.388332 
1 1 1 -12 18 5  o 37.36416 16.19387 -9.733179      65.52251 0.000000       0.000000 -9.733179      65.52251 ?        ?        37.36416 16.19387 0.000000       16.19387 
1 1 1 -12 18 6  o 384.5730 8.427710 4343.911       190.0811 0.000000       0.000000 4343.911       190.0811 ?        ?        384.5730 8.427710 0.000000       8.427710 
1 1 1 -12 18 7  o 130.7037 9.427181 504.5983       71.77818 0.000000       0.000000 504.5983       71.77818 ?        ?        130.7037 9.427181 0.000000       9.427181 
1 1 1 -12 18 8  o 393.4690 8.231480 4547.483       189.9499 0.000000       0.000000 4547.483       189.9499 ?        ?        393.4690 8.231480 0.000000       8.231480 
1 1 1 -12 18 9  o 168.2390 8.522054 833.6891       83.81168 0.000000       0.000000 833.6891       83.81168 ?        ?        168.2390 8.522054 0.000000       8.522054 
1 1 1 -12 18 10 o 202.6141 7.703829 1207.534       91.37660 0.000000       0.000000 1207.534       91.37660 ?        ?        202.6141 7.703829 0.000000       7.703829 
1 1 1 -12 18 11 o 265.7621 7.393752 2076.070       115.1294 0.000000       0.000000 2076.070       115.1294 ?        ?        265.7621 7.393752 0.000000       7.393752 
1 1 1 -12 18 12 o 40.00594 16.43565 15.16987       61.84968 0.000000       0.000000 15.16987       61.84968 ?        ?        40.00594 16.43565 0.000000       16.43565 
1 1 1 -12 18 13 o 142.7975 11.77775 604.7702       97.75932 0.000000       0.000000 604.7702       97.75932 ?        ?        142.7975 11.77775 0.000000       11.77775 
1 1 1 -12 18 14 o 185.5208 8.216958 1013.696       89.18160 0.000000       0.000000 1013.696       89.18160 ?        ?        185.5208 8.216958 0.000000       8.216958 
1 1 1 -12 18 15 o 168.7721 9.289329 840.5354       91.59197 0.000000       0.000000 840.5354       91.59197 ?        ?        168.7721 9.289329 0.000000       9.289329 
1 1 1 -12 18 16 o 423.9686 8.633302 5286.973       214.6649 0.000000       0.000000 5286.973       214.6649 ?        ?        423.9686 8.633302 0.000000       8.633302 
1 1 1 -12 18 17 o 222.0592 7.648545 1451.336       99.46019 1442.499       383.4786 1451.973       102.9843 215.3331 31.27970 222.0784 7.919726 -6.745270      32.26673 
1 1 1 -12 18 18 o 391.3421 7.670909 4503.203       176.0573 4828.219       500.5861 4457.325       188.0729 401.0044 21.36235 389.2620 8.238224 11.74240       22.89582 
1 1 1 -12 18 19 o 302.2874 7.348654 2686.633       130.2802 2793.540       411.5391 2674.726       137.3438 303.8262 23.27309 301.4701 7.774578 2.356079       24.53733 
1 1 1 -12 18 20 o 192.5360 8.143735 1092.629       91.74961 652.7158       386.5717 1118.889       94.44836 141.3466 42.89169 194.8227 8.285085 -53.47606      43.68455 
1 1 1 -12 18 21 o 150.6853 11.38524 674.0441       99.87080 0.000000       0.000000 674.0441       99.87080 ?        ?        150.6853 11.38524 0.000000       11.38524 
1 1 1 -12 18 22 o 214.5200 8.274950 1356.260       103.9127 1100.195       470.3283 1369.401       106.5456 181.2462 44.56400 215.5359 8.445139 -34.28969      45.35715 
1 1 1 -12 18 23 o 108.3467 14.45358 353.8877       89.55316 -249.3634      473.1874 376.2973       91.20135 88.08609 40.39732 111.8254 14.22799 -23.73929      42.82965 
1 1 1 -12 18 24 o 335.7912 8.499920 3320.880       167.2574 0.000000       0.000000 3320.880       167.2574 ?        ?        335.7912 8.499920 0.000000       8.499920 
1 1 1 -12 18 25 f 177.9051 10.45812 936.6593       108.6358 162.2483       496.3662 975.6204       111.3350 109.7345 45.94609 181.5732 10.49992 -71.83866      47.13058 
1 1 1 -12 18 26 o 90.83921 18.17527 254.8239       93.44555 -168.4777      416.9279 277.2125       95.88490 85.08867 38.59547 94.90041 17.88369 -9.811737      42.53747 
1 1 1 -12 18 27 o 306.2385 7.972516 2762.654       143.0659 2086.850       437.9116 2843.404       151.3720 258.5902 29.39628 310.6225 8.316740 -52.03226      30.55011 
1 1 1 -12 18 28 o 122.9636 13.32058 453.7121       94.52946 199.6307       381.8782 470.2972       97.56589 101.3495 41.14082 125.1771 13.50334 -23.82758      43.30020 
1 1 1 -12 18 29 o 278.2360 8.078647 2283.287       131.6868 2066.822       413.9929 2307.655       138.9013 256.7218 27.94723 279.6362 8.479387 -22.91434      29.20527 
1 1 1 -12 18 30 o 301.0063 7.937850 2672.588       140.0070 2636.299       430.6571 2676.877       148.0491 291.1725 25.47552 301.1442 8.390821 -9.971619      26.82178 
1 1 1 -12 18 31 o 140.0967 11.90283 586.8376       96.87273 423.7858       400.7860 596.9545       99.83283 117.0008 43.60608 141.2464 12.17019 -24.24567      45.27255 
1 1 1 -12 18 32 o 189.5526 9.711217 1066.040       107.5979 1416.024       423.7115 1041.915       111.2446 204.7005 36.63938 187.2851 10.16614 17.41545       38.02361 
1 1 1 -12 18 33 o 103.6723 15.81030 330.6522       93.09156 301.1235       458.9229 331.9193       95.06800 108.7227 44.72934 103.7749 16.14522 4.947807       47.55399 
1 1 1 -12 18 34 o 35.07900 16.37729 -73.76310      83.09018 70.82381       408.1410 -80.01470      84.86748 90.54292 39.80256 35.04800 16.42397 55.49492       43.05799 
1 1 1 -12 18 35 o 64.34708 19.80351 130.1154       82.03172 -676.7065      395.4345 166.3978       83.85590 61.35115 30.29207 71.96812 19.42104 -10.61697      35.98314 
1 1 1 -12 18 36 o 40.41393 17.60044 -6.220705      78.17746 -338.5707      349.4095 11.29362       80.21093 64.98470 31.25349 43.16495 18.29279 21.81975       36.21335 
1 1 1 -12 18 37 o 40.05330 17.51238 -7.833063      78.05739 343.0397       375.6363 -23.66787      79.79931 99.37995 40.62946 38.66037 17.26364 60.71958       44.14505 
1 1 1 -12 18 38 o 106.9909 14.59685 356.9421       89.20576 152.4309       395.5225 367.9027       91.56502 87.52827 38.79779 108.5748 14.76168 -21.04650      41.51115 
1 1 1 -12 18 39 o 201.3848 9.648803 1219.291       113.6280 916.2722       389.2399 1247.519       118.8028 142.1949 43.01645 203.5317 9.983232 -61.33681      44.15970 
1 1 1 -12 18 40 o 151.4502 11.17788 698.9188       98.58452 420.0341       396.3099 717.3144       101.7840 98.90710 41.20692 153.3248 11.40081 -54.41775      42.75498 
1 1 1 -12 18 41 o 92.98474 17.91003 284.4394       94.12668 21.12380       408.2233 299.2248       96.73323 77.85649 36.33292 95.40747 17.94644 -17.55098      40.52352 
1 1 1 -12 18 42 o 68.88811 21.22513 162.9463       94.19952 232.9530       405.1384 158.9453       96.85394 85.22339 38.40880 68.09821 21.60379 17.12518       44.06767 
1 1 1 -12 18 43 o 120.9321 14.45503 464.7074       100.4925 565.2687       142.4481 365.0734       141.7899 129.8882 19.28430 100.1401 24.37566 29.74804       31.08146 
1 1 1 -12 18 44 o 63.93206 22.42927 138.4567       104.0059 -3.380321      142.4081 300.5946       152.2587 51.32413 22.98001 88.32961 26.94166 -37.00548      35.41093 
1 1 1 -12 18 45 o 155.1945 13.69910 761.6990       123.4076 779.9275       171.4538 742.1036       177.7666 151.3949 19.78292 146.0165 21.39300 5.378433       29.13803 
1 1 1 -12 18 46 o 56.20411 22.81532 82.55914       117.4467 93.53516       156.4659 68.39349       177.7523 61.04603 25.69291 60.67513 26.47988 0.3709068      36.89593 
1 1 1 -12 19 1  o 540.3534 11.30698 8588.129       358.3234 0.000000       0.000000 8588.129       358.3234 ?        ?        540.3534 11.30698 0.000000       11.30698 
1 1 1 -12 19 2  o 357.0634 8.777500 3745.540       183.8090 0.000000       0.000000 3745.540       183.8090 ?        ?        357.0634 8.777500 0.000000       8.777500 
1 1 1 -12 19 3  o 530.4533 11.02615 8275.590       343.0218 0.000000       0.000000 8275.590       343.0218 ?        ?        530.4533 11.02615 0.000000       11.02615 
1 1 1 -12 19 4  o 482.2502 10.49042 6838.368       296.6987 0.000000       0.000000 6838.368       296.6987 ?        ?        482.2502 10.49042 0.000000       10.49042 
1 1 1 -12 19 5  o 220.5971 7.826488 1431.010       101.0947 0.000000       0.000000 1431.010       101.0947 ?        ?        220.5971 7.826488 0.000000       7.826488 
1 1 1 -12 19 6  o 469.8865 9.259236 6489.168       255.1636 0.000000       0.000000 6489.168       255.1636 ?        ?        469.8865 9.259236 0.000000       9.259236 
1 1 1 -12 19 7  o 450.8487 9.031724 5973.857       238.8097 0.000000       0.000000 5973.857       238.8097 ?        ?        450.8487 9.031724 0.000000       9.031724 
1 1 1 -12 19 8  o 432.3909 8.629027 5494.161       218.8210 0.000000       0.000000 5494.161       218.8210 ?        ?        432.3909 8.629027 0.000000       8.629027 
1 1 1 -12 19 9  o 274.7511 12.02228 2227.445       193.2521 0.000000       0.000000 2227.445       193.2521 ?        ?        274.7511 12.02228 0.000000       12.02228 
1 1 1 -12 19 10 o 51.40223 17.68579 71.22337       64.51237 0.000000       0.000000 71.22337       64.51237 ?        ?        51.40223 17.68579 0.000000       17.68579 
1 1 1 -12 19 11 f 408.0093 8.480625 4893.419       202.9310 0.000000       0.000000 4893.419       202.9310 ?        ?        408.0093 8.480625 0.000000       8.480625 
1 1 1 -12 19 12 o 199.3673 7.951754 1170.016       92.78876 0.000000       0.000000 1170.016       92.78876 ?        ?        199.3673 7.951754 0.000000       7.951754 
1 1 1 -12 19 13 o 137.9968 14.76301 569.2459       117.6255 0.000000       0.000000 569.2459       117.6255 ?        ?        137.9968 14.76301 0.000000       14.76301 
1 1 1 -12 19 14 o 393.5020 9.370596 4556.434       216.2543 0.000000       0.000000 4556.434       216.2543 ?        ?        393.5020 9.370596 0.000000       9.370596 
1 1 1 -12 19 15 o 205.8028 8.073423 1247.295       97.25594 0.000000       0.000000 1247.295       97.25594 ?        ?        205.8028 8.073423 0.000000       8.073423 
1 1 1 -12 19 16 o 244.3474 7.750609 1757.231       110.9288 0.000000       0.000000 1757.231       110.9288 ?        ?        244.3474 7.750609 0.000000       7.750609 
1 1 1 -12 19 17 o 55.16052 19.22388 81.49106       76.32639 0.000000       0.000000 81.49106       76.32639 ?        ?        55.16052 19.22388 0.000000       19.22388 
1 1 1 -12 19 18 o 287.9000 7.361686 2438.627       124.1976 2548.673       455.4567 2429.786       129.0898 288.4362 27.24737 287.3370 7.667219 1.099213       28.30558 
1 1 1 -12 19 19 o 386.1292 7.847012 4385.827       177.7000 4040.739       516.8813 4432.081       189.2347 365.0124 24.28339 388.0852 8.314250 -23.07278      25.66729 
1 1 1 -12 19 20 o 324.6068 7.623113 3099.170       145.1244 3079.815       524.3087 3100.776       151.0250 316.3196 28.57016 324.6505 7.931991 -8.330902      29.65081 
1 1 1 -12 19 21 o 512.6590 11.12903 7756.580       334.6082 0.000000       0.000000 7756.580       334.6082 ?        ?        512.6590 11.12903 0.000000       11.12903 
1 1 1 -12 19 22 o 251.7002 8.196021 1866.169       120.8253 1320.641       517.7330 1897.591       124.2563 198.5299 45.44914 253.7897 8.359631 -55.25975      46.21156 
1 1 1 -12 19 23 o 159.5157 11.92097 755.7188       110.7169 645.8339       547.4164 760.4056       113.0533 143.8344 51.36241 159.9749 12.14048 -16.14049      52.77772 
1 1 1 -12 19 24 o 335.0577 8.143838 3303.570       160.0292 3506.372       600.8796 3288.087       166.0255 336.2468 30.81265 334.1162 8.479648 2.130554       31.95816 
1 1 1 -12 19 25 o 282.9947 8.017278 2358.723       132.9284 1650.637       502.4453 2412.015       137.8399 225.1643 39.48769 286.1441 8.222240 -60.97981      40.33464 
1 1 1 -12 19 26 o 198.7466 9.090281 1166.523       105.6759 1408.684       471.9153 1153.739       108.4295 206.4188 40.42908 197.6067 9.382911 8.812164       41.50361 
1 1 1 -12 19 27 o 136.8374 12.09290 558.5649       96.05003 837.3776       412.7466 542.6017       98.76139 156.7035 43.41608 134.7453 12.64527 21.95827       45.22011 
1 1 1 -12 19 28 o 134.6512 12.17722 541.7671       95.12480 84.29317       411.3515 567.6133       97.77505 96.02930 41.08384 137.8412 12.22132 -41.81189      42.86306 
1 1 1 -12 19 29 o 246.7385 8.380017 1797.469       121.0882 1749.163       430.6476 1801.616       126.1787 232.8389 32.41431 246.9527 8.725794 -14.11380      33.56824 
1 1 1 -12 19 30 o 156.2666 11.00165 727.1246       100.1820 444.2556       394.7942 746.5930       103.5722 118.5885 43.44217 158.3050 11.22860 -39.71646      44.86985 
1 1 1 -12 19 31 o 102.5224 15.71966 322.1394       91.50745 438.0092       387.3891 315.2921       94.17247 117.0740 43.00881 101.2112 16.42794 15.86281       46.03950 
1 1 1 -12 19 32 o 348.0963 8.290719 3579.395       169.2552 3196.114       518.9597 3625.017       179.0454 315.9008 28.31112 350.1721 8.718286 -34.27130      29.62309 
1 1 1 -12 19 33 o 135.2110 12.11085 549.9164       95.02071 639.6412       428.0614 545.2661       97.45199 130.8549 45.53055 134.5257 12.49475 -3.670807      47.21387 
1 1 1 -12 19 34 o 121.2460 13.27753 447.2460       92.87158 -24.77602      410.7968 472.6708       95.33998 84.83297 38.41209 124.6934 13.23920 -39.86039      40.62961 
1 1 1 -12 19 35 o 34.19296 15.94631 -66.48122      78.42974 -393.8254      379.1163 -51.84539      80.16389 66.62406 32.17019 36.02251 16.55976 30.60155       36.18213 
1 1 1 -12 19 36 o 193.7072 9.099322 1120.516       103.0836 1061.113       424.9855 1124.230       106.2568 158.5917 44.09895 193.9231 9.370524 -35.33144      45.08352 
1 1 1 -12 19 37 o 155.1094 10.76609 726.2286       97.32916 422.7580       412.8772 744.0850       100.1517 104.4349 42.63399 156.9366 10.95006 -52.50169      44.01773 
1 1 1 -12 19 38 o 73.12493 20.22993 177.7045       89.68652 131.8340       379.7079 180.4148       92.29812 84.63957 37.73586 73.59119 20.58379 11.04838       42.98473 
1 1 1 -12 19 39 o 133.0972 12.79782 546.3059       98.66785 936.4163       362.5432 515.0997       102.5383 145.6309 40.81746 128.7009 13.80007 16.93002       43.08720 
1 1 1 -12 19 40 f 105.8220 15.25766 355.6612       91.96011 381.3609       372.5924 353.9941       94.89586 95.50904 39.88551 105.2538 15.86555 -9.744751      42.92516 
1 1 1 -12 19 41 o 33.97545 16.35192 -122.7466      96.05386 -881.1860      388.9614 -73.48997      99.12389 52.80890 26.64552 38.14527 17.83470 14.66363       32.06338 
1 1 1 -12 19 42 o 128.8438 14.48376 525.7567       107.5516 478.8606       410.2465 529.2177       111.4497 97.33470 41.31467 128.9199 15.02145 -31.58519      43.96074 
1 1 1 -12 19 43 o 126.7668 15.30082 515.4789       111.4567 358.2612       390.9828 529.3851       116.2816 89.12702 39.07536 128.1230 15.81010 -38.99596      42.15261 
1 1 1 -12 19 44 o 30.84367 15.34696 -239.4448      109.1405 -378.0116      157.5733 -111.6699      151.3128 35.29000 17.69159 45.13681 21.38799 -9.846813      27.75677 
1 1 1 -12 19 45 o 49.79450 21.81113 18.43792       121.5689 43.55095       169.0044 -8.488865      175.0011 58.00112 25.55067 54.81377 24.91887 3.187351       35.69015 
1 1 1 -12 20 1  o 503.4211 16.98903 7499.703       500.8731 7499.703       500.8731 0.000000       0.000000 503.4211 16.98903 ?        ?        0.000000       16.98903 
1 1 1 -12 20 2  o 372.3837 8.889730 4075.341       194.1466 0.000000       0.000000 4075.341       194.1466 ?        ?        372.3837 8.889730 0.000000       8.889730 
1 1 1 -12 20 3  o 441.6411 9.830292 5735.231       254.6165 0.000000       0.000000 5735.231       254.6165 ?        ?        441.6411 9.830292 0.000000       9.830292 
1 1 1 -12 20 4  o 722.3651 14.58227 15395.76       617.7781 0.000000       0.000000 15395.76       617.7781 ?        ?        722.3651 14.58227 0.000000       14.58227 
1 1 1 -12 20 5  o 200.1239 8.089160 1178.598       94.74515 0.000000       0.000000 1178.598       94.74515 ?        ?        200.1239 8.089160 0.000000       8.089160 
1 1 1 -12 20 6  o 245.7523 7.421797 1775.583       106.8463 0.000000       0.000000 1775.583       106.8463 ?        ?        245.7523 7.421797 0.000000       7.421797 
1 1 1 -12 20 7  o 236.5296 7.565217 1645.212       104.8090 0.000000       0.000000 1645.212       104.8090 ?        ?        236.5296 7.565217 0.000000       7.565217 
1 1 1 -12 20 8  o 352.9357 7.940499 3660.292       164.3592 0.000000       0.000000 3660.292       164.3592 ?        ?        352.9357 7.940499 0.000000       7.940499 
1 1 1 -12 20 9  o 304.3685 7.602584 2721.990       135.7099 0.000000       0.000000 2721.990       135.7099 ?        ?        304.3685 7.602584 0.000000       7.602584 
1 1 1 -12 20 10 o 225.7680 7.589057 1499.455       100.3421 0.000000       0.000000 1499.455       100.3421 ?        ?        225.7680 7.589057 0.000000       7.589057 
1 1 1 -12 20 11 o 111.8333 14.35765 375.4976       91.99850 0.000000       0.000000 375.4976       91.99850 ?        ?        111.8333 14.35765 0.000000       14.35765 
1 1 1 -12 20 12 o 141.6931 12.76647 597.2126       104.9524 0.000000       0.000000 597.2126       104.9524 ?        ?        141.6931 12.76647 0.000000       12.76647 
1 1 1 -12 20 13 o 419.6072 8.646213 5179.009       212.7744 0.000000       0.000000 5179.009       212.7744 ?        ?        419.6072 8.646213 0.000000       8.646213 
1 1 1 -12 20 14 o 278.5587 7.613245 2282.804       124.2595 0.000000       0.000000 2282.804       124.2595 ?        ?        278.5587 7.613245 0.000000       7.613245 
1 1 1 -12 20 15 o 185.8919 8.825239 1019.212       95.93909 0.000000       0.000000 1019.212       95.93909 ?        ?        185.8919 8.825239 0.000000       8.825239 
1 1 1 -12 20 16 o 294.4124 7.844772 2551.097       135.3318 0.000000       0.000000 2551.097       135.3318 ?        ?        294.4124 7.844772 0.000000       7.844772 
1 1 1 -12 20 17 o 293.1089 8.583905 2530.685       147.3996 0.000000       0.000000 2530.685       147.3996 ?        ?        293.1089 8.583905 0.000000       8.583905 
1 1 1 -12 20 18 o 190.2538 8.527609 1067.508       94.90870 0.000000       0.000000 1067.508       94.90870 ?        ?        190.2538 8.527609 0.000000       8.527609 
1 1 1 -12 20 19 o 154.4310 9.667440 705.4507       87.11889 0.000000       0.000000 705.4507       87.11889 ?        ?        154.4310 9.667440 0.000000       9.667440 
1 1 1 -12 20 20 o 105.6660 14.85476 337.3976       89.51768 0.000000       0.000000 337.3976       89.51768 ?        ?        105.6660 14.85476 0.000000       14.85476 
1 1 1 -12 20 21 o 232.3576 9.535042 1593.268       129.6601 0.000000       0.000000 1593.268       129.6601 ?        ?        232.3576 9.535042 0.000000       9.535042 
1 1 1 -12 20 22 o 117.0172 14.51667 411.8883       97.48962 839.5968       512.5806 395.8358       99.30222 158.1681 49.63706 114.5502 15.15256 43.61792       51.89834 
1 1 1 -12 20 23 o 197.1293 9.788260 1148.083       112.8097 1494.373       509.8855 1130.259       115.6764 212.9440 42.31926 195.5388 10.12143 17.40521       43.51279 
1 1 1 -12 20 24 o 268.2211 8.389523 2119.954       131.8094 1742.280       531.2468 2144.729       136.0640 230.7691 40.74169 269.7502 8.611674 -38.98109      41.64188 
1 1 1 -12 20 25 o 217.9670 8.805790 1401.968       112.3349 701.5819       518.0334 1436.528       115.0730 145.6486 50.11650 220.6248 8.911757 -74.97620      50.90268 
1 1 1 -12 20 26 o 215.9358 8.897187 1376.702       112.4338 1126.325       504.6917 1389.777       115.3321 179.9431 47.23413 216.9290 9.085411 -36.98595      48.09997 
1 1 1 -12 20 27 o 207.3329 9.351501 1271.172       113.4177 910.1920       485.3007 1292.027       116.6480 160.4576 47.91792 208.9944 9.541999 -48.53680      48.85874 
1 1 1 -12 20 28 o 162.8226 10.73271 787.9055       101.9168 1016.584       440.2648 774.9573       104.7624 170.3970 43.81324 161.3910 11.13645 9.005951       45.20642 
1 1 1 -12 20 29 o 285.6097 8.548479 2409.295       143.0287 0.000000       0.000000 2409.295       143.0287 ?        ?        285.6097 8.548479 0.000000       8.548479 
1 1 1 -12 20 30 o 145.6292 11.88355 634.0563       100.6134 292.3194       439.5032 652.9561       103.3582 109.1091 44.19235 147.7624 12.03101 -38.65325      45.80075 
1 1 1 -12 20 31 o 154.2155 11.54049 710.8300       103.6196 696.5476       432.2147 711.7010       106.7322 138.2385 45.77980 154.2208 11.89234 -15.98230      47.29924 
1 1 1 -12 20 32 o 330.2825 8.146178 3223.996       157.7938 2917.084       522.3904 3254.811       165.5258 298.5949 30.24741 331.6303 8.517665 -33.03543      31.42381 
1 1 1 -12 20 33 o 176.4521 9.493936 927.2611       97.88621 394.4174       424.2503 957.2221       100.6006 110.0054 43.80873 179.2560 9.604279 -69.25053      44.84916 
1 1 1 -12 20 34 o 106.0186 14.60846 347.0225       88.41974 752.4076       370.4896 322.5385       91.05074 137.6320 42.03550 101.7321 15.77087 35.89996       44.89658 
1 1 1 -12 20 35 o 139.2493 11.58919 586.7739       93.78763 112.4897       393.8013 615.2929       96.56623 87.55590 38.76657 142.5916 11.64874 -55.03568      40.47889 
1 1 1 -12 20 36 o 233.5214 8.562527 1625.697       117.0693 1167.776       423.3000 1663.623       121.8209 166.9288 42.98121 236.1190 8.812579 -69.19020      43.87534 
1 1 1 -12 20 37 o 62.37418 20.66799 123.0524       88.09084 596.4849       374.4614 95.31721       90.63444 116.6209 42.37196 57.53120 20.85410 59.08971       47.22580 
1 1 1 -12 20 38 o 48.99474 19.94650 43.36446       90.07471 354.2694       377.9977 24.64712       92.74647 96.08717 40.15379 46.98429 19.77829 49.10289       44.76056 
1 1 1 -12 20 39 o 39.14750 17.81492 -38.62888      89.72825 -65.09042      397.2668 -37.20639      92.10844 74.90518 35.23788 39.84572 18.10013 35.05946       39.61468 
1 1 1 -12 20 40 o 38.06202 17.61577 -57.64371      92.93408 -235.2736      437.5294 -49.25101      95.10423 71.04249 34.36599 39.29704 18.05478 31.74545       38.82005 
1 1 1 -12 20 41 o 44.06241 19.61413 -12.43499      102.1704 360.6339       426.1791 -35.18396      105.2394 91.52507 40.43550 42.55379 19.33699 48.97128       44.82130 
1 1 1 -12 20 42 o 124.5458 15.08982 496.0570       107.9755 204.4677       399.6523 519.0172       112.1461 82.08325 37.44779 127.2575 15.33498 -45.17423      40.46601 
1 1 1 -12 20 43 o 95.29097 20.08732 313.0771       108.7161 427.2171       381.9206 303.0129       113.4078 92.28748 39.53720 92.86820 21.27930 -0.5807266     44.89988 
1 1 1 -12 20 44 o 102.7913 19.90366 364.3822       115.6525 273.8478       157.0820 471.5524       170.9056 83.33054 27.59871 110.9621 26.60666 -27.63158      38.33540 
1 1 1 -12 20 45 o 187.8405 16.08696 1147.349       175.5158 847.7047       391.1551 1222.890       196.3974 118.1321 43.24689 192.1058 17.62826 -73.97369      46.70170 
1 1 1 -12 21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 21 2  o 459.5428 17.19032 6260.592       462.4814 0.000000       0.000000 6260.592       462.4814 ?        ?        459.5428 17.19032 0.000000       17.19032 
1 1 1 -12 21 3  o 407.3415 9.421424 4879.834       225.0742 0.000000       0.000000 4879.834       225.0742 ?        ?        407.3415 9.421424 0.000000       9.421424 
1 1 1 -12 21 4  o 245.2950 7.754059 1769.711       111.4095 0.000000       0.000000 1769.711       111.4095 ?        ?        245.2950 7.754059 0.000000       7.754059 
1 1 1 -12 21 5  o 309.5686 8.023093 2818.258       145.5403 0.000000       0.000000 2818.258       145.5403 ?        ?        309.5686 8.023093 0.000000       8.023093 
1 1 1 -12 21 6  o 131.6010 9.699746 512.2672       74.33740 0.000000       0.000000 512.2672       74.33740 ?        ?        131.6010 9.699746 0.000000       9.699746 
1 1 1 -12 21 7  f 175.8195 8.471232 910.9136       87.09323 0.000000       0.000000 910.9136       87.09323 ?        ?        175.8195 8.471232 0.000000       8.471232 
1 1 1 -12 21 8  o 423.1329 8.613664 5264.692       213.7545 0.000000       0.000000 5264.692       213.7545 ?        ?        423.1329 8.613664 0.000000       8.613664 
1 1 1 -12 21 9  o 404.0337 8.468781 4800.136       200.6730 0.000000       0.000000 4800.136       200.6730 ?        ?        404.0337 8.468781 0.000000       8.468781 
1 1 1 -12 21 10 o 348.3458 7.966127 3567.321       162.7453 0.000000       0.000000 3567.321       162.7453 ?        ?        348.3458 7.966127 0.000000       7.966127 
1 1 1 -12 21 11 o 171.7359 10.71394 872.3048       107.3722 0.000000       0.000000 872.3048       107.3722 ?        ?        171.7359 10.71394 0.000000       10.71394 
1 1 1 -12 21 12 o 146.0278 13.27247 635.1479       112.4274 0.000000       0.000000 635.1479       112.4274 ?        ?        146.0278 13.27247 0.000000       13.27247 
1 1 1 -12 21 13 o 345.6190 7.860352 3512.690       159.3272 0.000000       0.000000 3512.690       159.3272 ?        ?        345.6190 7.860352 0.000000       7.860352 
1 1 1 -12 21 14 o 226.1922 11.29226 1513.111       149.3253 0.000000       0.000000 1513.111       149.3253 ?        ?        226.1922 11.29226 0.000000       11.29226 
1 1 1 -12 21 15 o 226.1132 8.487791 1506.657       112.3568 0.000000       0.000000 1506.657       112.3568 ?        ?        226.1132 8.487791 0.000000       8.487791 
1 1 1 -12 21 16 o 98.27666 14.29591 291.9330       79.98318 0.000000       0.000000 291.9330       79.98318 ?        ?        98.27666 14.29591 0.000000       14.29591 
1 1 1 -12 21 17 o 327.5598 8.081150 3156.916       155.2438 0.000000       0.000000 3156.916       155.2438 ?        ?        327.5598 8.081150 0.000000       8.081150 
1 1 1 -12 21 18 o 361.3365 8.217502 3842.097       174.1414 0.000000       0.000000 3842.097       174.1414 ?        ?        361.3365 8.217502 0.000000       8.217502 
1 1 1 -12 21 19 o 68.18970 20.80696 140.1606       90.80169 0.000000       0.000000 140.1606       90.80169 ?        ?        68.18970 20.80696 0.000000       20.80696 
1 1 1 -12 21 20 o 32.51897 15.84730 -175.2199      97.70528 0.000000       0.000000 -175.2199      97.70528 ?        ?        32.51897 15.84730 0.000000       15.84730 
1 1 1 -12 21 21 o 233.6863 9.130721 1610.661       124.8971 1799.274       594.3136 1601.946       127.7499 232.8027 45.15857 233.0170 9.367175 -0.2142181     46.11985 
1 1 1 -12 21 22 o 258.4690 8.639382 1968.958       130.7769 1685.062       570.6052 1984.697       134.3531 225.0049 44.81583 259.4702 8.841882 -34.46529      45.67973 
1 1 1 -12 21 23 o 134.2428 12.44240 537.4699       96.84467 362.5825       490.3614 544.5682       98.79050 121.1021 47.44858 135.1026 12.61391 -14.00049      49.09663 
1 1 1 -12 21 24 o 485.1490 8.974336 6935.748       255.3453 7636.725       740.9973 6841.292       272.0055 500.0740 25.34841 481.6566 9.629187 18.41745       27.11573 
1 1 1 -12 21 25 o 63.22886 21.32884 113.7432       93.75510 987.8242       498.6512 81.71168       95.45752 168.2369 48.11649 57.88440 21.33502 110.3525       52.63440 
1 1 1 -12 21 26 o 209.4428 9.406772 1297.213       115.2516 1295.374       518.0270 1297.308       118.2144 192.2836 46.45985 209.4043 9.651699 -17.12070      47.45179 
1 1 1 -12 21 27 o 55.20866 20.93498 68.48907       93.24796 -731.4218      511.2589 96.01434       94.83874 75.10548 36.52169 60.01765 21.38443 15.08784       42.32172 
1 1 1 -12 21 28 o 167.4645 10.59623 833.5246       103.5362 934.7009       528.2152 829.4821       105.5843 159.2715 50.44248 167.0047 10.83858 -7.733276      51.59379 
1 1 1 -12 21 29 o 145.0307 12.04218 629.1193       101.5042 1405.134       516.1866 597.9053       103.5255 198.0392 45.41306 141.2225 12.63278 56.81676       47.13738 
1 1 1 -12 21 30 o 175.5435 10.84023 917.8055       111.0580 989.8464       480.7784 913.7448       114.1451 162.5953 47.47263 175.0686 11.17563 -12.47328      48.77033 
1 1 1 -12 21 31 o 212.2257 9.397980 1336.727       116.6822 1103.005       472.5915 1351.899       120.4099 170.7307 46.11896 213.3606 9.647676 -42.62993      47.11726 
1 1 1 -12 21 32 o 111.1642 14.20523 377.8032       90.49805 -290.5740      479.9086 402.4470       92.15132 81.30930 38.39710 114.8584 13.96683 -33.54909      40.85841 
1 1 1 -12 21 33 o 220.2010 8.685339 1441.286       111.9448 1162.134       466.7967 1458.320       115.3097 168.8403 45.93155 221.4269 8.897548 -52.58653      46.78539 
1 1 1 -12 21 34 o 54.42472 20.05185 79.01671       84.30624 184.5476       423.0906 74.65327       86.03151 93.38478 40.80210 53.91349 20.18113 39.47129       45.52021 
1 1 1 -12 21 35 o 56.02470 20.25219 88.48298       85.40235 -29.44511      407.3239 93.90550       87.34376 80.94302 37.25297 57.21027 20.50641 23.73275       42.52407 
1 1 1 -12 21 36 o 182.7498 9.984536 1003.656       106.6062 1043.839       435.8934 1001.100       109.9450 152.1931 45.40450 182.3652 10.32190 -30.17212      46.56297 
1 1 1 -12 21 37 o 53.21322 20.54903 70.10271       90.93182 -480.7712      398.7997 100.3135       93.39197 63.57321 31.19819 58.45038 21.17154 5.122833       37.70359 
1 1 1 -12 21 38 o 219.1617 9.206716 1443.182       118.0733 1574.579       436.0554 1432.786       122.6554 193.2025 39.80877 218.1348 9.611222 -24.93222      40.95258 
1 1 1 -12 21 39 o 59.09204 21.27718 107.0662       94.15333 737.3143       433.5226 75.86702       96.45562 117.6514 45.01303 54.32366 21.11294 63.32771       49.71850 
1 1 1 -12 21 40 o 146.4496 12.81172 665.5792       108.9319 1055.375       412.2138 636.3146       112.9470 143.4129 44.43729 142.6369 13.66889 0.7760620      46.49205 
1 1 1 -12 21 41 o 92.42911 20.29413 293.4026       106.9896 633.3702       391.0809 265.9001       111.2330 107.7434 42.32625 86.91366 21.84897 20.82973       47.63285 
1 1 1 -12 21 42 o 75.34171 22.96358 203.8499       110.6410 -400.4197      401.2938 253.5634       115.1023 62.06598 30.62072 83.95007 22.79568 -21.88409      38.17423 
1 1 1 -12 21 43 o 111.9009 18.78433 422.9689       118.9124 190.4695       383.9048 447.6425       125.0631 79.17921 36.34015 114.8051 19.25566 -35.62590      41.12648 
1 1 1 -12 21 44 o 46.35345 20.86442 -14.53589      119.1226 96.43700       160.8047 -149.4974      177.3353 61.86781 26.04321 46.98347 22.50908 14.88434       34.42248 
1 1 1 -12 22 1  o 867.7582 22.45513 22503.57       1141.826 22503.57       1141.826 0.000000       0.000000 867.7582 22.45513 ?        ?        0.000000       22.45513 
1 1 1 -12 22 2  o 497.8221 12.31551 7307.890       359.5647 7789.154       513.1348 6843.625       503.9912 512.3564 17.10085 479.9324 17.93731 32.42398       24.78278 
1 1 1 -12 22 3  o 108.8518 11.31560 352.8126       71.18471 0.000000       0.000000 352.8126       71.18471 ?        ?        108.8518 11.31560 0.000000       11.31560 
1 1 1 -12 22 4  f 264.6397 7.978790 2060.456       123.6933 0.000000       0.000000 2060.456       123.6933 ?        ?        264.6397 7.978790 0.000000       7.978790 
1 1 1 -12 22 5  o 418.8114 11.77009 5174.842       288.8138 0.000000       0.000000 5174.842       288.8138 ?        ?        418.8114 11.77009 0.000000       11.77009 
1 1 1 -12 22 6  o 260.3301 7.956470 1994.104       121.3348 0.000000       0.000000 1994.104       121.3348 ?        ?        260.3301 7.956470 0.000000       7.956470 
1 1 1 -12 22 7  o 289.5257 7.650728 2465.567       129.7955 0.000000       0.000000 2465.567       129.7955 ?        ?        289.5257 7.650728 0.000000       7.650728 
1 1 1 -12 22 8  o 442.1136 8.955009 5750.751       232.1937 0.000000       0.000000 5750.751       232.1937 ?        ?        442.1136 8.955009 0.000000       8.955009 
1 1 1 -12 22 9  o 175.7332 8.223349 910.1585       84.51756 0.000000       0.000000 910.1585       84.51756 ?        ?        175.7332 8.223349 0.000000       8.223349 
1 1 1 -12 22 10 o 75.74030 15.96955 176.3899       68.69865 0.000000       0.000000 176.3899       68.69865 ?        ?        75.74030 15.96955 0.000000       15.96955 
1 1 1 -12 22 11 o 320.1393 20.83428 3077.664       389.0473 0.000000       0.000000 3077.664       389.0473 ?        ?        320.1393 20.83428 0.000000       20.83428 
1 1 1 -12 22 12 o 146.8240 34.95310 693.5305       296.6232 0.000000       0.000000 693.5305       296.6232 ?        ?        146.8240 34.95310 0.000000       34.95310 
1 1 1 -12 22 13 o 158.1139 12.39637 743.0405       114.0332 0.000000       0.000000 743.0405       114.0332 ?        ?        158.1139 12.39637 0.000000       12.39637 
1 1 1 -12 22 14 o 162.2018 9.297748 777.3561       88.07663 0.000000       0.000000 777.3561       88.07663 ?        ?        162.2018 9.297748 0.000000       9.297748 
1 1 1 -12 22 15 o 322.6104 11.42124 3076.167       215.7528 0.000000       0.000000 3076.167       215.7528 ?        ?        322.6104 11.42124 0.000000       11.42124 
1 1 1 -12 22 16 o 222.9746 8.473860 1465.429       110.6105 0.000000       0.000000 1465.429       110.6105 ?        ?        222.9746 8.473860 0.000000       8.473860 
1 1 1 -12 22 17 o 374.3099 9.408395 4129.900       206.3731 0.000000       0.000000 4129.900       206.3731 ?        ?        374.3099 9.408395 0.000000       9.408395 
1 1 1 -12 22 18 o 67.74134 21.66413 135.3594       97.23698 0.000000       0.000000 135.3594       97.23698 ?        ?        67.74134 21.66413 0.000000       21.66413 
1 1 1 -12 22 19 o 218.5419 10.17536 1410.975       130.0592 0.000000       0.000000 1410.975       130.0592 ?        ?        218.5419 10.17536 0.000000       10.17536 
1 1 1 -12 22 20 o 288.9046 11.43408 2467.906       193.3516 0.000000       0.000000 2467.906       193.3516 ?        ?        288.9046 11.43408 0.000000       11.43408 
1 1 1 -12 22 21 o 160.5325 11.37276 764.6559       106.3796 0.000000       0.000000 764.6559       106.3796 ?        ?        160.5325 11.37276 0.000000       11.37276 
1 1 1 -12 22 22 o 261.8553 8.568139 2021.176       131.4054 1119.182       539.8676 2077.980       135.4799 179.9440 49.57619 265.4900 8.712947 -85.54591      50.33601 
1 1 1 -12 22 23 o 62.82467 21.29544 111.3881       93.46556 26.97786       487.9999 114.6025       95.22852 101.0191 43.98423 63.59969 21.49572 37.41939       48.95589 
1 1 1 -12 22 24 o 202.3944 9.679936 1211.343       114.5673 873.5001       530.3702 1227.879       117.3376 158.1718 50.59708 203.7444 9.848941 -45.57260      51.54673 
1 1 1 -12 22 25 o 104.6171 16.11634 334.1949       95.71213 510.5225       513.1800 327.8402       97.42154 129.5897 49.11847 103.4730 16.61612 26.11669       51.85287 
1 1 1 -12 22 26 o 314.1811 8.264140 2912.306       152.1426 2577.470       588.5443 2936.284       157.4960 280.1999 36.69564 315.4118 8.521955 -35.21194      37.67219 
1 1 1 -12 22 27 o 151.3516 11.61562 683.3469       102.3171 554.8096       517.4497 688.5769       104.3779 130.8458 49.38362 151.8896 11.81011 -21.04388      50.77618 
1 1 1 -12 22 28 o 102.4072 16.75077 322.9104       97.12922 77.20354       511.8163 332.0899       98.92693 102.2714 44.77634 103.8664 16.81442 -1.594986      47.82934 
1 1 1 -12 22 29 o 163.7445 13.69595 806.3323       130.3216 2447.037       566.9053 714.7900       133.9079 269.5942 36.81582 153.7006 15.04785 115.8936       39.77238 
1 1 1 -12 22 30 o 170.4569 11.17610 867.6462       111.1100 946.8740       555.4498 864.3438       113.4020 154.1322 51.91476 170.0589 11.43677 -15.92670      53.15959 
1 1 1 -12 22 31 o 237.3683 8.963447 1672.118       124.5568 1850.539       524.0555 1661.435       128.2314 225.6503 41.11390 236.5124 9.262546 -10.86214      42.14437 
1 1 1 -12 22 32 o 82.62629 18.98980 219.0752       90.08991 367.7668       466.2145 213.3076       91.82053 108.1356 44.84227 81.38527 19.49408 26.75030       48.89630 
1 1 1 -12 22 33 o 65.67053 20.24350 137.3024       85.67541 362.0476       446.6922 128.7189       87.29613 104.6602 43.68689 64.03022 20.53197 40.62997       48.27117 
1 1 1 -12 22 34 o 128.6883 12.54563 505.1227       93.48437 691.4537       440.4654 496.3333       95.66382 124.9117 45.86519 127.3802 12.98693 -2.468544      47.66840 
1 1 1 -12 22 35 o 101.1330 16.53768 324.2671       94.70141 -230.0977      450.3200 349.9185       96.86763 76.16376 36.31907 105.2827 16.20724 -29.11897      39.77121 
1 1 1 -12 22 36 o 154.8609 11.26293 727.9131       101.5933 779.6352       444.3237 725.0599       104.3578 126.5896 46.13154 154.3932 11.61019 -27.80358      47.57011 
1 1 1 -12 22 37 o 100.4679 17.03961 325.4364       96.81706 -316.6623      443.5317 357.5626       99.20953 70.67976 34.28772 105.6624 16.55280 -34.98260      38.07418 
1 1 1 -12 22 38 o 97.33910 17.78963 309.6740       97.81467 865.1536       465.2839 283.9896       100.0505 125.5276 46.94401 92.43038 19.08905 33.09727       50.67674 
1 1 1 -12 22 39 o 56.21077 21.47542 87.90086       98.58543 48.96727       432.6951 90.03261       101.2484 79.49471 37.19825 56.82206 21.75002 22.67265       43.09030 
1 1 1 -12 22 40 o 42.36657 19.17796 -30.06271      102.3115 178.2759       396.6974 -44.90815      105.8939 81.92024 37.34869 41.80389 19.14888 40.11635       41.97147 
1 1 1 -12 22 41 o 85.31187 21.61736 256.7226       108.2732 564.7448       404.9849 233.0114       112.3633 101.2282 41.86905 80.58250 22.77241 20.64574       47.66130 
1 1 1 -12 22 42 o 112.5799 19.09862 428.6865       121.5975 155.1373       425.0791 453.0659       126.9004 79.40560 37.06231 115.5467 19.41421 -36.14111      41.83929 
1 1 1 -12 22 43 o 96.25742 22.60162 334.7040       125.3985 101.7253       403.1554 359.6584       131.9435 75.73699 35.58810 99.50639 23.06068 -23.76940      42.40646 
1 1 1 -12 22 44 o 67.03643 27.32179 146.1390       169.2248 103.8619       385.6631 156.2197       188.3226 74.33684 34.89140 68.92148 28.53308 5.415359       45.07268 
1 1 1 -12 23 1  f 310.0748 9.042199 2831.172       164.2581 2786.802       340.5793 2844.621       187.5069 305.4389 19.10841 310.6178 10.30724 -5.178925      21.71107 
1 1 1 -12 23 2  o 351.6221 8.820873 3639.384       181.7587 0.000000       0.000000 3639.384       181.7587 ?        ?        351.6221 8.820873 0.000000       8.820873 
1 1 1 -12 23 3  o 654.9622 18.50274 12767.16       710.0150 12767.16       710.0150 0.000000       0.000000 654.9622 18.50274 ?        ?        0.000000       18.50274 
1 1 1 -12 23 4  o 479.7812 10.37263 6780.481       291.8655 0.000000       0.000000 6780.481       291.8655 ?        ?        479.7812 10.37263 0.000000       10.37263 
1 1 1 -12 23 5  o 113.1563 11.70696 381.6235       76.57072 0.000000       0.000000 381.6235       76.57072 ?        ?        113.1563 11.70696 0.000000       11.70696 
1 1 1 -12 23 6  o 502.5461 10.76645 7443.269       317.3209 0.000000       0.000000 7443.269       317.3209 ?        ?        502.5461 10.76645 0.000000       10.76645 
1 1 1 -12 23 7  o 292.4833 7.608201 2516.742       130.3961 0.000000       0.000000 2516.742       130.3961 ?        ?        292.4833 7.608201 0.000000       7.608201 
1 1 1 -12 23 8  o 146.0985 9.072827 630.6749       77.35538 0.000000       0.000000 630.6749       77.35538 ?        ?        146.0985 9.072827 0.000000       9.072827 
1 1 1 -12 23 9  o 81.27414 15.57684 202.3077       71.54607 0.000000       0.000000 202.3077       71.54607 ?        ?        81.27414 15.57684 0.000000       15.57684 
1 1 1 -12 23 10 o 127.0723 10.29834 479.0010       76.09110 0.000000       0.000000 479.0010       76.09110 ?        ?        127.0723 10.29834 0.000000       10.29834 
1 1 1 -12 23 11 o 411.8837 9.389454 4996.335       226.8117 0.000000       0.000000 4996.335       226.8117 ?        ?        411.8837 9.389454 0.000000       9.389454 
1 1 1 -12 23 12 o 222.8422 28.97385 1539.555       369.7070 0.000000       0.000000 1539.555       369.7070 ?        ?        222.8422 28.97385 0.000000       28.97385 
1 1 1 -12 23 13 o 525.5505 9.721410 8138.554       299.6362 0.000000       0.000000 8138.554       299.6362 ?        ?        525.5505 9.721410 0.000000       9.721410 
1 1 1 -12 23 14 o 248.9658 8.367491 1826.218       122.0023 0.000000       0.000000 1826.218       122.0023 ?        ?        248.9658 8.367491 0.000000       8.367491 
1 1 1 -12 23 15 o 179.0739 9.540985 947.4063       99.84026 0.000000       0.000000 947.4063       99.84026 ?        ?        179.0739 9.540985 0.000000       9.540985 
1 1 1 -12 23 16 o 343.1995 9.305886 3471.887       187.1346 0.000000       0.000000 3471.887       187.1346 ?        ?        343.1995 9.305886 0.000000       9.305886 
1 1 1 -12 23 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 23 18 o 302.6457 8.840879 2698.956       156.7526 0.000000       0.000000 2698.956       156.7526 ?        ?        302.6457 8.840879 0.000000       8.840879 
1 1 1 -12 23 19 f 165.2787 11.61834 810.6113       111.9015 0.000000       0.000000 810.6113       111.9015 ?        ?        165.2787 11.61834 0.000000       11.61834 
1 1 1 -12 23 20 o 255.4487 8.940492 1924.147       133.7351 0.000000       0.000000 1924.147       133.7351 ?        ?        255.4487 8.940492 0.000000       8.940492 
1 1 1 -12 23 21 o 127.7100 13.41677 488.3746       98.99123 0.000000       0.000000 488.3746       98.99123 ?        ?        127.7100 13.41677 0.000000       13.41677 
1 1 1 -12 23 22 o 278.5395 8.578856 2287.643       139.9744 0.000000       0.000000 2287.643       139.9744 ?        ?        278.5395 8.578856 0.000000       8.578856 
1 1 1 -12 23 23 o 57.80544 21.09728 83.61983       92.98107 0.000000       0.000000 83.61983       92.98107 ?        ?        57.80544 21.09728 0.000000       21.09728 
1 1 1 -12 23 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 23 25 o 179.5430 10.49958 956.8103       110.0757 945.0510       523.0526 957.3553       112.5973 161.3026 50.06885 179.5438 10.74230 -18.24120      51.20827 
1 1 1 -12 23 26 o 74.50867 21.18692 173.6458       96.95760 -921.3976      555.3323 208.0756       98.47005 74.69822 36.68952 81.22705 20.63358 -6.528831      42.09353 
1 1 1 -12 23 27 o 230.5412 9.242061 1573.173       124.7058 710.9010       512.4685 1627.447       128.5706 141.0279 49.76177 234.4604 9.369083 -93.43250      50.63609 
1 1 1 -12 23 28 o 72.34888 21.87385 162.9651       100.6675 624.4652       552.2016 147.1003       102.3832 133.8705 50.90258 69.50686 22.23015 64.36362       55.54505 
1 1 1 -12 23 29 o 215.2318 9.581087 1375.109       120.6374 1570.323       569.9544 1365.954       123.4340 203.0484 48.52476 214.4413 9.840911 -11.39290      49.51258 
1 1 1 -12 23 30 o 73.72942 21.12214 173.2599       96.01390 -320.9951      506.6586 191.6707       97.78578 82.99916 39.27218 77.32587 21.01699 5.673286       44.54232 
1 1 1 -12 23 31 o 87.42313 18.48876 243.7059       91.82871 373.2817       481.5179 238.8155       93.54555 109.2376 45.45882 86.36736 18.98653 22.87027       49.26452 
1 1 1 -12 23 32 o 185.6626 9.668726 1030.208       104.9168 877.8848       493.9030 1037.406       107.3672 140.0629 48.89596 186.2402 9.865059 -46.17726      49.88120 
1 1 1 -12 23 33 o 122.1422 13.29079 457.3454       93.67309 240.3946       492.3574 465.4933       95.41588 98.25527 43.43289 123.1836 13.42435 -24.92831      45.46019 
1 1 1 -12 23 34 o 31.30639 15.18685 -135.6130      87.00101 152.7556       454.4958 -146.5815      88.64017 91.10684 40.90247 31.08340 15.13576 60.02345       43.61311 
1 1 1 -12 23 35 f 105.7631 16.06701 354.0063       96.52902 -297.8597      473.0208 382.3325       98.60400 74.88590 36.10341 110.1554 15.70735 -35.26946      39.37229 
1 1 1 -12 23 36 o 146.2771 12.25903 655.8995       104.2013 518.0425       477.6845 662.7871       106.7727 105.6269 44.69662 146.9171 12.51078 -41.29026      46.41451 
1 1 1 -12 23 37 o 46.47387 19.79800 19.03915       94.79845 371.0378       477.1609 4.574661       96.72659 96.35878 42.66805 45.16977 19.62556 51.18901       46.96515 
1 1 1 -12 23 38 o 34.63629 16.57263 -111.1891      95.46537 -495.5178      473.4035 -94.89761      97.46774 67.04076 33.10929 36.23708 17.16936 30.80369       37.29627 
1 1 1 -12 23 39 o 37.87524 17.68172 -69.02626      96.82997 -119.2451      440.2986 -66.47402      99.26003 73.33103 35.21994 38.63263 17.99089 34.69841       39.54891 
1 1 1 -12 23 40 o 61.60023 22.42649 122.5140       104.9727 723.3780       436.0106 85.54241       108.1541 110.2080 44.23518 56.36610 22.22330 53.84193       49.50380 
1 1 1 -12 23 41 o 59.36838 22.58070 107.7008       108.6855 -5.572256      438.6043 115.1113       112.1843 74.85148 35.73481 60.71389 22.97621 14.13759       42.48391 
1 1 1 -12 23 42 f 68.60078 24.11888 167.9395       120.3099 282.4951       411.5576 157.2354       125.8054 83.48902 38.05539 67.08921 24.53168 16.39981       45.27710 
1 1 1 -12 23 43 o 51.35677 22.43615 25.78597       127.8919 107.5664       386.0549 15.70451       135.5458 75.00425 35.10975 51.50113 22.77613 23.50312       41.85028 
1 1 1 -12 24 1  o 377.1949 11.47272 4201.026       253.4999 4414.580       398.6282 4056.023       328.4756 384.8589 17.70849 369.6636 15.18348 15.19534       23.32656 
1 1 1 -12 24 2  o 108.5307 11.67180 351.4962       73.12556 0.000000       0.000000 351.4962       73.12556 ?        ?        108.5307 11.67180 0.000000       11.67180 
1 1 1 -12 24 3  o 374.2505 8.037288 4119.500       176.4097 3830.983       382.4720 4197.465       198.8213 358.2426 18.26449 377.6357 8.977166 -19.39310      20.35144 
1 1 1 -12 24 4  o 212.4883 8.280041 1330.250       102.9879 0.000000       0.000000 1330.250       102.9879 ?        ?        212.4883 8.280041 0.000000       8.280041 
1 1 1 -12 24 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 6  o 197.2081 8.797890 1146.914       101.4983 0.000000       0.000000 1146.914       101.4983 ?        ?        197.2081 8.797890 0.000000       8.797890 
1 1 1 -12 24 7  o 156.0134 9.302740 719.2555       84.73183 0.000000       0.000000 719.2555       84.73183 ?        ?        156.0134 9.302740 0.000000       9.302740 
1 1 1 -12 24 8  o 427.6842 8.856362 5384.413       222.1412 0.000000       0.000000 5384.413       222.1412 ?        ?        427.6842 8.856362 0.000000       8.856362 
1 1 1 -12 24 9  o 554.4367 11.59182 9074.840       376.9244 0.000000       0.000000 9074.840       376.9244 ?        ?        554.4367 11.59182 0.000000       11.59182 
1 1 1 -12 24 10 o 45.76488 20.54525 -50.54779      114.6568 0.000000       0.000000 -50.54779      114.6568 ?        ?        45.76488 20.54525 0.000000       20.54525 
1 1 1 -12 24 11 o 393.3645 9.245810 4557.292       213.2999 0.000000       0.000000 4557.292       213.2999 ?        ?        393.3645 9.245810 0.000000       9.245810 
1 1 1 -12 24 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 14 o 306.6353 8.760871 2770.300       157.3891 0.000000       0.000000 2770.300       157.3891 ?        ?        306.6353 8.760871 0.000000       8.760871 
1 1 1 -12 24 15 o 193.2467 9.577330 1102.881       108.2061 0.000000       0.000000 1102.881       108.2061 ?        ?        193.2467 9.577330 0.000000       9.577330 
1 1 1 -12 24 16 o 152.9697 12.36212 695.9319       109.9605 0.000000       0.000000 695.9319       109.9605 ?        ?        152.9697 12.36212 0.000000       12.36212 
1 1 1 -12 24 17 o 298.4650 8.674697 2624.590       151.6831 0.000000       0.000000 2624.590       151.6831 ?        ?        298.4650 8.674697 0.000000       8.674697 
1 1 1 -12 24 18 o 98.63641 18.49065 299.4570       103.0357 0.000000       0.000000 299.4570       103.0357 ?        ?        98.63641 18.49065 0.000000       18.49065 
1 1 1 -12 24 19 o 134.4904 12.46699 539.4619       97.21467 0.000000       0.000000 539.4619       97.21467 ?        ?        134.4904 12.46699 0.000000       12.46699 
1 1 1 -12 24 20 o 47.03623 19.74254 12.11636       91.99051 0.000000       0.000000 12.11636       91.99051 ?        ?        47.03623 19.74254 0.000000       19.74254 
1 1 1 -12 24 21 o 230.7805 9.074578 1572.364       122.5826 0.000000       0.000000 1572.364       122.5826 ?        ?        230.7805 9.074578 0.000000       9.074578 
1 1 1 -12 24 22 f 137.4131 12.44824 564.0338       99.23257 0.000000       0.000000 564.0338       99.23257 ?        ?        137.4131 12.44824 0.000000       12.44824 
1 1 1 -12 24 23 o 258.8515 10.15372 1983.192       153.8449 0.000000       0.000000 1983.192       153.8449 ?        ?        258.8515 10.15372 0.000000       10.15372 
1 1 1 -12 24 24 o 209.3131 9.952638 1297.941       121.8258 0.000000       0.000000 1297.941       121.8258 ?        ?        209.3131 9.952638 0.000000       9.952638 
1 1 1 -12 24 25 o 76.48758 21.08951 183.8022       97.65239 0.000000       0.000000 183.8022       97.65239 ?        ?        76.48758 21.08951 0.000000       21.08951 
1 1 1 -12 24 26 o 140.0834 12.43687 587.9916       101.1150 -263.1665      509.8226 622.8440       103.1644 88.04629 40.92479 144.2351 12.31340 -56.18879      42.73709 
1 1 1 -12 24 27 o 179.4364 10.79286 958.5886       113.0539 811.0785       556.6830 964.9341       115.4600 146.5657 51.85058 179.9816 10.99078 -33.41589      53.00264 
1 1 1 -12 24 28 o 133.8117 13.76043 541.5375       106.4508 239.6344       534.8803 553.9885       108.6237 109.2020 46.78664 135.3196 13.88386 -26.11756      48.80319 
1 1 1 -12 24 29 f 76.62194 21.13572 188.0368       98.05692 -867.0892      518.5914 227.1589       99.85826 70.19976 34.66645 84.16624 20.43703 -13.96648      40.24221 
1 1 1 -12 24 30 o 161.4711 11.36301 783.2310       106.9195 643.2501       491.7509 790.1769       109.5400 126.6697 48.06578 162.1086 11.59833 -35.43887      49.44533 
1 1 1 -12 24 31 o 61.40500 21.07929 112.9322       91.62877 8.449917       486.9551 116.7674       93.29530 89.81867 41.11287 62.24059 21.27296 27.57808       46.29047 
1 1 1 -12 24 32 o 74.90359 20.07837 183.5720       89.99397 414.8118       516.3948 176.3290       91.39252 107.7041 46.05391 73.40585 20.46449 34.29822       50.39602 
1 1 1 -12 24 33 o 44.46992 19.15114 4.947445       90.49214 -676.9559      500.6982 27.97327       92.00728 68.89992 34.03172 47.67747 19.85842 21.22244       39.40197 
1 1 1 -12 24 34 o 178.7509 10.31712 962.7382       107.6981 353.1811       467.6502 996.8775       110.6729 99.87547 43.27489 181.8534 10.42057 -81.97797      44.51185 
1 1 1 -12 24 35 o 62.45775 21.60165 122.7828       96.28821 101.7960       466.1666 123.7181       98.41039 86.40170 39.79705 62.75575 21.83113 23.64595       45.39167 
1 1 1 -12 24 36 o 95.20068 18.71497 298.8559       100.7645 564.8469       487.8778 287.0038       102.9850 106.4368 45.11106 92.80808 19.53955 13.62871       49.16098 
1 1 1 -12 24 37 o 130.5431 14.20356 534.3983       106.9919 341.6246       487.6671 544.1465       109.6637 93.66130 42.18196 131.5955 14.44650 -37.93422      44.58722 
1 1 1 -12 24 38 o 104.1779 18.36119 359.3669       108.0856 596.5767       474.0919 346.3615       111.0090 103.8547 44.25939 101.6235 19.33193 2.231133       48.29717 
1 1 1 -12 24 39 o 51.38374 21.22771 51.39899       103.9345 355.6885       482.8374 36.61439       106.4295 90.33868 41.19365 49.96386 21.11794 40.37481       46.29130 
1 1 1 -12 24 40 o 47.99755 20.76092 19.46862       107.2594 565.4331       512.5952 -5.530838      109.6876 97.57291 43.64949 45.86864 20.37611 51.70426       48.17120 
1 1 1 -12 24 41 o 55.12099 22.51267 73.50266       115.1881 187.5405       470.9961 66.24805       118.7955 81.16901 38.24154 54.66854 22.64990 26.50047       44.44584 
1 1 1 -12 24 42 o 43.25061 20.09986 -62.01622      122.8972 -320.6573      454.8466 -41.64702      127.6448 66.02765 32.57990 45.60312 20.93906 20.42453       38.72846 
1 1 1 -12 25 1  o 154.4009 9.865886 705.2089       88.87063 0.000000       0.000000 705.2089       88.87063 ?        ?        154.4009 9.865886 0.000000       9.865886 
1 1 1 -12 25 2  o 225.5207 10.00875 1501.618       132.0485 994.9999       309.8726 1614.029       145.9650 177.9068 30.81454 233.7180 10.67714 -55.81119      32.61192 
1 1 1 -12 25 3  o 192.8377 8.782257 1096.833       99.06200 0.000000       0.000000 1096.833       99.06200 ?        ?        192.8377 8.782257 0.000000       8.782257 
1 1 1 -12 25 4  o 122.9422 11.29081 449.7074       80.50140 0.000000       0.000000 449.7074       80.50140 ?        ?        122.9422 11.29081 0.000000       11.29081 
1 1 1 -12 25 5  o 445.8018 8.598994 5849.429       224.8226 5528.373       423.0123 5975.820       265.4119 430.8539 16.77270 450.2877 10.05032 -19.43375      19.55332 
1 1 1 -12 25 6  o 67.07230 19.03831 137.8191       78.35945 0.000000       0.000000 137.8191       78.35945 ?        ?        67.07230 19.03831 0.000000       19.03831 
1 1 1 -12 25 7  o 184.2207 40.38221 1112.084       424.2328 0.000000       0.000000 1112.084       424.2328 ?        ?        184.2207 40.38221 0.000000       40.38221 
1 1 1 -12 25 8  o 242.6377 8.341081 1734.533       118.5181 0.000000       0.000000 1734.533       118.5181 ?        ?        242.6377 8.341081 0.000000       8.341081 
1 1 1 -12 25 9  o 129.5779 16.15975 506.3271       120.1433 0.000000       0.000000 506.3271       120.1433 ?        ?        129.5779 16.15975 0.000000       16.15975 
1 1 1 -12 25 10 o 274.1750 8.440574 2214.455       135.5604 0.000000       0.000000 2214.455       135.5604 ?        ?        274.1750 8.440574 0.000000       8.440574 
1 1 1 -12 25 11 o 243.0963 8.398094 1741.231       119.5520 0.000000       0.000000 1741.231       119.5520 ?        ?        243.0963 8.398094 0.000000       8.398094 
1 1 1 -12 25 12 o 79.13641 36.05692 -182.8238      368.9946 0.000000       0.000000 -182.8238      368.9946 ?        ?        79.13641 36.05692 0.000000       36.05692 
1 1 1 -12 25 13 o 398.8651 9.607486 4687.200       224.7431 0.000000       0.000000 4687.200       224.7431 ?        ?        398.8651 9.607486 0.000000       9.607486 
1 1 1 -12 25 14 o 256.6251 8.806794 1941.065       132.3499 0.000000       0.000000 1941.065       132.3499 ?        ?        256.6251 8.806794 0.000000       8.806794 
1 1 1 -12 25 15 f 266.1472 8.699587 2087.453       135.6086 0.000000       0.000000 2087.453       135.6086 ?        ?        266.1472 8.699587 0.000000       8.699587 
1 1 1 -12 25 16 o 182.4469 10.44820 984.8937       111.3291 0.000000       0.000000 984.8937       111.3291 ?        ?        182.4469 10.44820 0.000000       10.44820 
1 1 1 -12 25 17 o 98.11230 16.90898 294.4688       93.78322 0.000000       0.000000 294.4688       93.78322 ?        ?        98.11230 16.90898 0.000000       16.90898 
1 1 1 -12 25 18 o 231.0524 9.100144 1575.378       123.0719 0.000000       0.000000 1575.378       123.0719 ?        ?        231.0524 9.100144 0.000000       9.100144 
1 1 1 -12 25 19 o 241.4864 9.310963 1721.720       131.6204 0.000000       0.000000 1721.720       131.6204 ?        ?        241.4864 9.310963 0.000000       9.310963 
1 1 1 -12 25 20 o 252.3003 9.056396 1879.071       133.7884 0.000000       0.000000 1879.071       133.7884 ?        ?        252.3003 9.056396 0.000000       9.056396 
1 1 1 -12 25 21 o 198.3260 10.22280 1165.087       118.5038 0.000000       0.000000 1165.087       118.5038 ?        ?        198.3260 10.22280 0.000000       10.22280 
1 1 1 -12 25 22 o 307.8256 8.841759 2797.804       159.4571 0.000000       0.000000 2797.804       159.4571 ?        ?        307.8256 8.841759 0.000000       8.841759 
1 1 1 -12 25 23 o 208.1840 10.27953 1285.080       125.1198 0.000000       0.000000 1285.080       125.1198 ?        ?        208.1840 10.27953 0.000000       10.27953 
1 1 1 -12 25 24 o 233.9368 9.449205 1619.939       129.3748 0.000000       0.000000 1619.939       129.3748 ?        ?        233.9368 9.449205 0.000000       9.449205 
1 1 1 -12 25 25 o 272.2083 9.104973 2191.995       145.1506 0.000000       0.000000 2191.995       145.1506 ?        ?        272.2083 9.104973 0.000000       9.104973 
1 1 1 -12 25 26 o 213.8718 10.03891 1358.075       125.5674 0.000000       0.000000 1358.075       125.5674 ?        ?        213.8718 10.03891 0.000000       10.03891 
1 1 1 -12 25 27 o 193.1434 10.37228 1110.423       117.0600 -64.94595      591.8434 1158.276       119.4192 99.56567 45.47984 197.2765 10.35792 -97.71083      46.64442 
1 1 1 -12 25 28 o 58.85851 21.73756 89.76458       99.17843 52.87917       555.6027 90.97859       100.7973 99.88738 45.00179 59.26764 21.90967 40.61975       50.05192 
1 1 1 -12 25 29 o 297.0501 8.483541 2618.094       147.6428 2209.717       535.3595 2651.710       153.5994 247.2840 38.13958 298.8314 8.773711 -51.54736      39.13573 
1 1 1 -12 25 30 o 68.86798 21.58857 151.4187       96.98802 -234.6679      509.2790 165.9483       98.79614 82.80885 39.23865 71.65889 21.67052 11.14996       44.82503 
1 1 1 -12 25 31 o 111.6492 15.21359 387.8398       97.02905 -142.5358      505.2105 408.1523       98.86962 84.20387 39.65123 114.6384 15.07020 -30.43452      42.41853 
1 1 1 -12 25 32 o 124.0973 13.61654 474.0803       97.47561 1037.428       530.9232 454.4288       99.16118 144.0777 50.66573 121.2147 14.21876 22.86299       52.62309 
1 1 1 -12 25 33 o 209.4397 9.749851 1316.672       119.4302 988.2903       505.9431 1336.049       122.9035 139.6340 49.42806 210.8696 9.966213 -71.23561      50.42280 
1 1 1 -12 25 34 o 74.50781 21.32552 186.9756       97.91532 59.01228       484.4082 192.4267       99.97910 85.88016 39.90902 75.49368 21.53019 10.38647       45.34621 
1 1 1 -12 25 35 o 87.02825 20.40259 255.4113       102.3137 -557.2233      448.8192 299.9561       105.0804 64.94654 32.10504 94.97611 19.51799 -30.02957      37.57241 
1 1 1 -12 25 36 o 97.04964 18.83432 312.1804       103.3326 -53.82059      475.6893 330.3064       105.8604 78.97133 37.56482 99.94354 18.74896 -20.97221      41.98380 
1 1 1 -12 25 37 o 77.16107 21.73276 207.2947       102.5143 340.9814       477.6813 200.8403       104.9599 91.89706 41.53432 75.82008 22.19338 16.07697       47.09189 
1 1 1 -12 25 38 o 69.44109 22.83450 167.8609       107.5948 293.0435       470.8666 160.9645       110.5188 88.14021 40.37586 68.27992 23.15670 19.86029       46.54506 
1 1 1 -12 25 39 o 42.90391 19.32889 -22.54225      102.4927 -356.0838      496.1670 -7.675414      104.7520 69.05551 34.06518 44.77465 19.89998 24.28086       39.45182 
1 1 1 -12 25 40 o 63.75788 23.03853 137.1147       110.5050 -16.76181      495.6719 145.1627       113.3580 76.09730 36.75429 65.11685 23.35893 10.98045       43.54902 
1 1 1 -12 25 41 f 79.30454 24.18912 234.6581       122.7361 297.9438       476.7601 230.1662       127.0172 84.43983 39.35839 78.28198 24.72840 6.157845       46.48200 
1 1 1 -12 25 42 o 67.45474 24.46398 162.8446       124.7496 -1.896254      469.4862 175.3597       129.4014 73.82542 35.68468 69.33293 24.94660 4.492485       43.53997 
1 1 1 -12 26 1  o 457.9788 10.14944 6182.428       272.6075 0.000000       0.000000 6182.428       272.6075 ?        ?        457.9788 10.14944 0.000000       10.14944 
1 1 1 -12 26 2  o 278.5280 8.688095 2285.746       141.7466 0.000000       0.000000 2285.746       141.7466 ?        ?        278.5280 8.688095 0.000000       8.688095 
1 1 1 -12 26 3  o 298.3824 7.923522 2620.893       138.5344 3334.012       384.9714 2514.810       148.4815 333.3490 19.78044 292.1641 8.675134 41.18484       21.59916 
1 1 1 -12 26 4  o 73.13105 18.97968 165.5986       82.10061 0.000000       0.000000 165.5986       82.10061 ?        ?        73.13105 18.97968 0.000000       18.97968 
1 1 1 -12 26 5  o 303.4213 8.140589 2710.705       144.7304 2766.342       369.2935 2700.609       157.3152 303.1252 20.90094 302.7401 8.869900 0.3851013      22.70516 
1 1 1 -12 26 6  o 148.2391 11.35802 652.3315       97.99303 0.000000       0.000000 652.3315       97.99303 ?        ?        148.2391 11.35802 0.000000       11.35802 
1 1 1 -12 26 7  o 151.5470 10.74926 680.7629       94.91795 0.000000       0.000000 680.7629       94.91795 ?        ?        151.5470 10.74926 0.000000       10.74926 
1 1 1 -12 26 8  o 165.5271 10.67709 811.4080       103.0979 0.000000       0.000000 811.4080       103.0979 ?        ?        165.5271 10.67709 0.000000       10.67709 
1 1 1 -12 26 9  o 290.7919 28.33767 2601.855       477.1542 0.000000       0.000000 2601.855       477.1542 ?        ?        290.7919 28.33767 0.000000       28.33767 
1 1 1 -12 26 10 o 334.4346 10.94631 3303.180       214.4095 0.000000       0.000000 3303.180       214.4095 ?        ?        334.4346 10.94631 0.000000       10.94631 
1 1 1 -12 26 11 o 154.9722 11.77564 713.2065       106.2247 0.000000       0.000000 713.2065       106.2247 ?        ?        154.9722 11.77564 0.000000       11.77564 
1 1 1 -12 26 12 o 168.3242 15.71419 848.2900       153.3350 0.000000       0.000000 848.2900       153.3350 ?        ?        168.3242 15.71419 0.000000       15.71419 
1 1 1 -12 26 13 o 283.3257 8.958277 2366.052       148.6671 0.000000       0.000000 2366.052       148.6671 ?        ?        283.3257 8.958277 0.000000       8.958277 
1 1 1 -12 26 14 o 82.12965 19.52102 209.6725       92.63640 0.000000       0.000000 209.6725       92.63640 ?        ?        82.12965 19.52102 0.000000       19.52102 
1 1 1 -12 26 15 o 210.7650 9.435940 1311.565       116.3407 0.000000       0.000000 1311.565       116.3407 ?        ?        210.7650 9.435940 0.000000       9.435940 
1 1 1 -12 26 16 o 209.9015 10.38353 1303.087       127.4269 0.000000       0.000000 1303.087       127.4269 ?        ?        209.9015 10.38353 0.000000       10.38353 
1 1 1 -12 26 17 o 203.6009 10.02725 1225.929       119.3642 0.000000       0.000000 1225.929       119.3642 ?        ?        203.6009 10.02725 0.000000       10.02725 
1 1 1 -12 26 18 o 172.5396 11.17416 883.5728       112.4636 0.000000       0.000000 883.5728       112.4636 ?        ?        172.5396 11.17416 0.000000       11.17416 
1 1 1 -12 26 19 o 147.4195 12.49002 648.5992       106.9709 0.000000       0.000000 648.5992       106.9709 ?        ?        147.4195 12.49002 0.000000       12.49002 
1 1 1 -12 26 20 o 80.14736 21.15373 201.6543       100.8681 0.000000       0.000000 201.6543       100.8681 ?        ?        80.14736 21.15373 0.000000       21.15373 
1 1 1 -12 26 21 o 365.4507 8.961460 3941.500       192.0694 0.000000       0.000000 3941.500       192.0694 ?        ?        365.4507 8.961460 0.000000       8.961460 
1 1 1 -12 26 22 o 274.9483 10.53291 2240.835       169.5297 0.000000       0.000000 2240.835       169.5297 ?        ?        274.9483 10.53291 0.000000       10.53291 
1 1 1 -12 26 23 o 151.4881 13.22677 688.3864       116.3348 0.000000       0.000000 688.3864       116.3348 ?        ?        151.4881 13.22677 0.000000       13.22677 
1 1 1 -12 26 24 o 208.1174 10.49156 1286.593       127.6427 0.000000       0.000000 1286.593       127.6427 ?        ?        208.1174 10.49156 0.000000       10.49156 
1 1 1 -12 26 25 f 284.4629 9.142408 2396.111       152.3254 0.000000       0.000000 2396.111       152.3254 ?        ?        284.4629 9.142408 0.000000       9.142408 
1 1 1 -12 26 26 o 57.45185 22.39598 69.65769       108.7929 0.000000       0.000000 69.65769       108.7929 ?        ?        57.45185 22.39598 0.000000       22.39598 
1 1 1 -12 26 27 o 36.38115 17.16721 -99.49191      95.59211 0.000000       0.000000 -99.49191      95.59211 ?        ?        36.38115 17.16721 0.000000       17.16721 
1 1 1 -12 26 28 o 85.76106 20.14098 237.5245       99.56481 0.000000       0.000000 237.5245       99.56481 ?        ?        85.76106 20.14098 0.000000       20.14098 
1 1 1 -12 26 29 o 57.00674 21.23325 85.36278       94.99942 220.5228       577.3510 81.60154       96.31217 102.7266 46.11129 56.57831 21.31598 46.14833       50.79983 
1 1 1 -12 26 30 o 225.4688 9.369697 1518.584       123.6275 2409.882       594.8710 1478.351       126.3870 245.8608 42.81017 222.3029 9.717556 23.55791       43.89922 
1 1 1 -12 26 31 o 195.5629 9.957494 1147.643       113.8296 1128.271       553.9674 1148.497       116.3115 148.8427 51.79512 195.5366 10.17751 -46.69388      52.78557 
1 1 1 -12 26 32 o 118.8785 15.14223 441.6482       103.1780 -510.7056      526.3129 479.7113       105.2197 73.66663 36.08728 124.1531 14.73790 -50.48651      38.98074 
1 1 1 -12 26 33 o 44.01640 19.45321 -12.31524      98.72314 -690.0255      510.1284 14.05419       100.6255 67.72467 33.61016 47.29298 20.27827 20.43169       39.25367 
1 1 1 -12 26 34 o 72.07803 21.77033 176.2212       99.75204 -941.4081      540.9111 215.5687       101.4928 64.64178 32.45809 79.51337 21.32633 -14.87159      38.83735 
1 1 1 -12 26 35 o 167.0558 11.61863 853.8099       113.1233 697.4901       468.7140 863.4786       116.5692 113.1971 45.71309 167.8208 11.92132 -54.62363      47.24198 
1 1 1 -12 26 36 o 160.8068 12.11218 796.6497       113.3896 501.0865       451.8128 816.5167       117.1385 99.86450 42.89698 162.6403 12.37351 -62.77576      44.64588 
1 1 1 -12 26 37 f 134.7647 14.20441 572.9361       110.5798 358.2210       458.6220 586.1891       113.9414 91.10571 40.97942 136.1346 14.49384 -45.02894      43.46705 
1 1 1 -12 26 38 o 55.13743 21.93721 78.49444       106.2827 -432.8902      447.4011 109.0792       109.4148 64.65318 31.97719 59.78659 22.67581 4.866581       39.20119 
1 1 1 -12 26 39 o 159.8004 13.25654 801.6238       123.1221 1035.104       494.8101 786.2138       127.1203 122.6711 47.77899 157.7544 13.88131 -35.08337      49.75462 
1 1 1 -12 26 40 o 172.5882 13.91337 943.3606       139.6370 663.7891       505.9954 966.4070       145.2785 99.17517 43.92559 174.2987 14.33873 -75.12357      46.20667 
1 1 1 -12 26 41 o 138.5903 16.35084 628.8937       130.3441 359.6165       452.4373 653.2659       136.1150 85.96943 39.45440 140.8717 16.80633 -54.90228      42.88475 
1 1 1 -12 27 1  o 438.7766 17.38652 5739.408       446.5252 5739.408       446.5252 0.000000       0.000000 438.7766 17.38652 ?        ?        0.000000       17.38652 
1 1 1 -12 27 2  o 302.2780 8.368492 2690.811       148.2130 3118.715       380.5968 2614.319       160.9158 322.2343 20.24149 297.8107 9.224264 24.42358       22.24421 
1 1 1 -12 27 3  o 150.0035 12.35788 669.2612       107.7532 0.000000       0.000000 669.2612       107.7532 ?        ?        150.0035 12.35788 0.000000       12.35788 
1 1 1 -12 27 4  o 308.4760 8.331543 2802.127       150.5912 3189.700       399.8418 2738.064       162.5614 325.5719 21.05356 304.8025 9.104067 20.76938       22.93766 
1 1 1 -12 27 5  o 86.77410 19.61591 233.7097       97.47388 0.000000       0.000000 233.7097       97.47388 ?        ?        86.77410 19.61591 0.000000       19.61591 
1 1 1 -12 27 6  o 231.0803 9.249837 1575.062       125.1034 1210.401       397.0750 1615.249       131.8167 194.2850 36.17934 233.9577 9.627455 -39.67267      37.43838 
1 1 1 -12 27 7  o 470.7805 11.16342 6540.006       308.2239 6140.976       518.9324 6757.511       383.1266 452.8663 19.58476 477.6034 13.69219 -24.73709      23.89642 
1 1 1 -12 27 8  o 203.7737 10.61276 1227.821       126.3944 0.000000       0.000000 1227.821       126.3944 ?        ?        203.7737 10.61276 0.000000       10.61276 
1 1 1 -12 27 9  o 336.3763 8.945681 3333.770       176.3209 0.000000       0.000000 3333.770       176.3209 ?        ?        336.3763 8.945681 0.000000       8.945681 
1 1 1 -12 27 10 o 425.1233 11.76866 5341.551       293.1395 0.000000       0.000000 5341.551       293.1395 ?        ?        425.1233 11.76866 0.000000       11.76866 
1 1 1 -12 27 11 o 266.4683 33.87927 2235.536       517.5024 0.000000       0.000000 2235.536       517.5024 ?        ?        266.4683 33.87927 0.000000       33.87927 
1 1 1 -12 27 12 o 309.0559 8.976865 2815.346       162.5369 0.000000       0.000000 2815.346       162.5369 ?        ?        309.0559 8.976865 0.000000       8.976865 
1 1 1 -12 27 13 o 252.7016 9.661705 1884.984       142.9261 0.000000       0.000000 1884.984       142.9261 ?        ?        252.7016 9.661705 0.000000       9.661705 
1 1 1 -12 27 14 o 450.6633 10.38769 5992.949       274.5503 0.000000       0.000000 5992.949       274.5503 ?        ?        450.6633 10.38769 0.000000       10.38769 
1 1 1 -12 27 15 o 395.8664 10.06890 4626.757       233.5763 0.000000       0.000000 4626.757       233.5763 ?        ?        395.8664 10.06890 0.000000       10.06890 
1 1 1 -12 27 16 o 210.5326 10.26478 1311.570       126.3597 0.000000       0.000000 1311.570       126.3597 ?        ?        210.5326 10.26478 0.000000       10.26478 
1 1 1 -12 27 17 o 195.6287 10.43719 1133.701       119.3141 0.000000       0.000000 1133.701       119.3141 ?        ?        195.6287 10.43719 0.000000       10.43719 
1 1 1 -12 27 18 o 128.5463 13.84085 496.8084       102.7029 0.000000       0.000000 496.8084       102.7029 ?        ?        128.5463 13.84085 0.000000       13.84085 
1 1 1 -12 27 19 f 43.69304 19.53107 -38.66245      102.4169 0.000000       0.000000 -38.66245      102.4169 ?        ?        43.69304 19.53107 0.000000       19.53107 
1 1 1 -12 27 20 o 137.2835 13.19944 565.5486       104.9652 0.000000       0.000000 565.5486       104.9652 ?        ?        137.2835 13.19944 0.000000       13.19944 
1 1 1 -12 27 21 o 200.4292 10.72133 1193.073       125.5674 0.000000       0.000000 1193.073       125.5674 ?        ?        200.4292 10.72133 0.000000       10.72133 
1 1 1 -12 27 22 o 269.8317 9.548243 2155.491       150.8627 0.000000       0.000000 2155.491       150.8627 ?        ?        269.8317 9.548243 0.000000       9.548243 
1 1 1 -12 27 23 o 150.5594 13.42484 681.6063       117.2986 0.000000       0.000000 681.6063       117.2986 ?        ?        150.5594 13.42484 0.000000       13.42484 
1 1 1 -12 27 24 o 474.7360 9.994496 6680.589       278.2682 0.000000       0.000000 6680.589       278.2682 ?        ?        474.7360 9.994496 0.000000       9.994496 
1 1 1 -12 27 25 o 245.8832 9.535215 1794.909       137.2417 0.000000       0.000000 1794.909       137.2417 ?        ?        245.8832 9.535215 0.000000       9.535215 
1 1 1 -12 27 26 o 77.50965 21.42628 193.4877       100.6514 0.000000       0.000000 193.4877       100.6514 ?        ?        77.50965 21.42628 0.000000       21.42628 
1 1 1 -12 27 27 f 308.9983 8.710590 2835.844       157.6960 0.000000       0.000000 2835.844       157.6960 ?        ?        308.9983 8.710590 0.000000       8.710590 
1 1 1 -12 27 28 o 108.1886 16.21983 366.0985       99.74678 0.000000       0.000000 366.0985       99.74678 ?        ?        108.1886 16.21983 0.000000       16.21983 
1 1 1 -12 27 29 o 287.6479 8.980105 2466.911       151.3076 0.000000       0.000000 2466.911       151.3076 ?        ?        287.6479 8.980105 0.000000       8.980105 
1 1 1 -12 27 30 o 189.2553 10.82085 1079.538       119.6041 0.000000       0.000000 1079.538       119.6041 ?        ?        189.2553 10.82085 0.000000       10.82085 
1 1 1 -12 27 31 o 80.88723 21.11755 218.7653       101.2383 -800.8274      568.3898 252.1713       102.8834 70.73513 35.16715 87.14179 20.47973 -16.40666      40.69580 
1 1 1 -12 27 32 o 133.9520 14.57996 559.3644       112.6935 295.0227       547.6826 571.0512       115.1577 97.08826 44.11603 135.2622 14.75564 -38.17390      46.51831 
1 1 1 -12 27 33 o 75.01910 22.30890 192.5808       105.3624 204.4562       532.1340 192.0962       107.4905 91.27646 42.21211 74.87905 22.59524 16.39741       47.87909 
1 1 1 -12 27 34 o 126.7970 14.54526 505.3096       106.2076 189.6403       549.1968 517.5739       108.2511 89.82078 41.99032 128.2809 14.65105 -38.46012      44.47292 
1 1 1 -12 27 35 o 43.29079 19.45008 -23.49135      102.9869 -669.7275      467.1546 9.520571       105.5846 62.76380 31.31273 47.12694 20.48993 15.63686       37.42091 
1 1 1 -12 27 36 o 42.73503 19.25173 -24.66744      101.6597 -289.4677      475.9106 -12.00701      104.0616 70.53066 34.50151 44.43493 19.78646 26.09574       39.77258 
1 1 1 -12 27 37 o 61.25191 22.43638 120.4324       105.3027 300.0389       509.6733 112.4236       107.6248 87.81443 40.85153 60.17023 22.56203 27.64420       46.66790 
1 1 1 -12 27 38 o 49.90481 21.53770 26.59030       114.9270 -445.7684      470.9770 56.49771       118.5095 65.30630 32.39001 53.70437 22.46577 11.60193       39.41857 
1 1 1 -12 27 39 o 113.7259 20.67079 448.9454       132.7922 783.8660       492.4446 422.6815       137.9006 105.9221 45.12314 108.8550 22.34972 -2.932854      50.35482 
1 1 1 -12 27 40 o 150.3173 16.34351 738.0535       141.7636 -20.11931      423.2997 833.8317       150.4517 72.08210 34.59744 159.9142 16.26829 -87.83207      38.23140 
1 1 1 -12 28 1  o 515.5471 9.862955 7831.756       298.2126 8999.591       609.9057 7464.843       341.8644 548.7713 18.97907 502.8630 11.59187 45.90826       22.23908 
1 1 1 -12 28 2  o 314.5108 9.868039 2917.581       181.7939 0.000000       0.000000 2917.581       181.7939 ?        ?        314.5108 9.868039 0.000000       9.868039 
1 1 1 -12 28 3  o 518.0578 11.68389 7924.073       354.9901 0.000000       0.000000 7924.073       354.9901 ?        ?        518.0578 11.68389 0.000000       11.68389 
1 1 1 -12 28 4  o 405.0135 10.27018 4838.897       243.7517 0.000000       0.000000 4838.897       243.7517 ?        ?        405.0135 10.27018 0.000000       10.27018 
1 1 1 -12 28 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 28 6  o 265.3945 8.923261 2076.189       138.6909 3314.431       473.3513 1959.907       145.0570 330.2490 24.61652 257.7380 9.613276 72.51099       26.42703 
1 1 1 -12 28 7  o 269.2350 9.847444 2139.154       155.2291 0.000000       0.000000 2139.154       155.2291 ?        ?        269.2350 9.847444 0.000000       9.847444 
1 1 1 -12 28 8  o 249.1870 12.54239 1840.489       182.7079 1839.917       452.9126 1840.601       199.6763 241.9161 32.76409 248.9318 13.73033 -7.015686      35.52475 
1 1 1 -12 28 9  o 255.6223 9.361625 1927.709       140.1091 0.000000       0.000000 1927.709       140.1091 ?        ?        255.6223 9.361625 0.000000       9.361625 
1 1 1 -12 28 10 o 191.3954 10.55298 1084.048       117.9975 0.000000       0.000000 1084.048       117.9975 ?        ?        191.3954 10.55298 0.000000       10.55298 
1 1 1 -12 28 11 o 203.8154 13.81863 1236.926       164.2014 0.000000       0.000000 1236.926       164.2014 ?        ?        203.8154 13.81863 0.000000       13.81863 
1 1 1 -12 28 12 o 111.1973 15.42035 374.4235       97.86018 0.000000       0.000000 374.4235       97.86018 ?        ?        111.1973 15.42035 0.000000       15.42035 
1 1 1 -12 28 13 o 112.8781 42.32706 350.5025       378.7902 0.000000       0.000000 350.5025       378.7902 ?        ?        112.8781 42.32706 0.000000       42.32706 
1 1 1 -12 28 14 o 123.8091 13.99607 460.7604       99.84721 0.000000       0.000000 460.7604       99.84721 ?        ?        123.8091 13.99607 0.000000       13.99607 
1 1 1 -12 28 15 o 402.2343 10.15922 4781.079       239.4652 0.000000       0.000000 4781.079       239.4652 ?        ?        402.2343 10.15922 0.000000       10.15922 
1 1 1 -12 28 16 o 204.7997 10.82525 1243.935       129.5604 0.000000       0.000000 1243.935       129.5604 ?        ?        204.7997 10.82525 0.000000       10.82525 
1 1 1 -12 28 17 o 152.5546 13.77387 697.8909       121.9083 0.000000       0.000000 697.8909       121.9083 ?        ?        152.5546 13.77387 0.000000       13.77387 
1 1 1 -12 28 18 o 57.16876 21.03507 81.14261       92.72578 0.000000       0.000000 81.14261       92.72578 ?        ?        57.16876 21.03507 0.000000       21.03507 
1 1 1 -12 28 19 o 36.22404 17.03874 -95.59682      92.82935 0.000000       0.000000 -95.59682      92.82935 ?        ?        36.22404 17.03874 0.000000       17.03874 
1 1 1 -12 28 20 o 196.1394 10.79234 1143.234       123.6670 0.000000       0.000000 1143.234       123.6670 ?        ?        196.1394 10.79234 0.000000       10.79234 
1 1 1 -12 28 21 o 241.1056 9.848207 1723.175       138.9632 0.000000       0.000000 1723.175       138.9632 ?        ?        241.1056 9.848207 0.000000       9.848207 
1 1 1 -12 28 22 o 137.0633 14.29594 568.2078       113.2297 0.000000       0.000000 568.2078       113.2297 ?        ?        137.0633 14.29594 0.000000       14.29594 
1 1 1 -12 28 23 o 118.7627 16.94372 434.7025       114.6733 0.000000       0.000000 434.7025       114.6733 ?        ?        118.7627 16.94372 0.000000       16.94372 
1 1 1 -12 28 24 o 161.4648 14.36002 790.2309       134.5656 0.000000       0.000000 790.2309       134.5656 ?        ?        161.4648 14.36002 0.000000       14.36002 
1 1 1 -12 28 25 o 148.7242 12.56747 667.9659       108.5925 0.000000       0.000000 667.9659       108.5925 ?        ?        148.7242 12.56747 0.000000       12.56747 
1 1 1 -12 28 26 o 200.9676 10.51009 1209.070       123.4443 0.000000       0.000000 1209.070       123.4443 ?        ?        200.9676 10.51009 0.000000       10.51009 
1 1 1 -12 28 27 f 189.6602 10.72670 1080.281       118.8280 0.000000       0.000000 1080.281       118.8280 ?        ?        189.6602 10.72670 0.000000       10.72670 
1 1 1 -12 28 28 o 77.49124 21.32977 198.4447       99.98623 0.000000       0.000000 198.4447       99.98623 ?        ?        77.49124 21.32977 0.000000       21.32977 
1 1 1 -12 28 29 o 48.62516 20.67686 18.28777       103.0753 0.000000       0.000000 18.28777       103.0753 ?        ?        48.62516 20.67686 0.000000       20.67686 
1 1 1 -12 28 30 o 166.9648 12.32953 850.0306       119.8801 0.000000       0.000000 850.0306       119.8801 ?        ?        166.9648 12.32953 0.000000       12.32953 
1 1 1 -12 28 31 o 234.8936 9.999830 1661.312       137.4420 0.000000       0.000000 1661.312       137.4420 ?        ?        234.8936 9.999830 0.000000       9.999830 
1 1 1 -12 28 32 o 122.9266 16.51493 482.2774       116.0526 0.000000       0.000000 482.2774       116.0526 ?        ?        122.9266 16.51493 0.000000       16.51493 
1 1 1 -12 28 33 o 95.93882 20.45840 310.8213       111.5949 941.3561       606.4795 288.7247       113.5334 120.1458 50.57624 91.79763 21.47277 28.34817       54.94576 
1 1 1 -12 28 34 o 130.5630 14.71003 538.3934       110.6796 336.8018       570.9366 546.2650       112.8198 93.30049 43.34698 131.4024 14.90252 -38.10188      45.83717 
1 1 1 -12 28 35 o 78.88925 22.75381 220.8115       111.0632 -17.23579      477.9609 234.3986       114.1888 77.98702 37.25148 81.13364 22.96640 -3.146622      43.76218 
1 1 1 -12 28 36 o 111.9856 18.09349 416.2728       114.7825 -520.4944      548.9098 459.1078       117.3774 68.83164 34.27625 118.1463 17.46572 -49.31469      38.46964 
1 1 1 -12 28 37 o 111.2421 18.51528 414.5882       116.5513 10.51845       597.4740 430.5728       118.8342 80.53872 39.23508 113.4119 18.50362 -32.87319      43.37944 
1 1 1 -12 28 38 o 51.34098 22.29772 28.68134       124.7541 136.1661       488.8669 21.19412       129.0261 79.64172 37.93951 51.23052 22.45432 28.41120       44.08632 
1 1 1 -12 28 39 o 81.71487 24.85902 252.6546       129.7417 532.7743       450.8584 227.3638       135.4720 94.20784 41.60665 77.32944 25.63078 16.87840       48.86768 
1 1 1 -12 29 1  o 371.2294 10.09831 4066.025       219.6534 0.000000       0.000000 4066.025       219.6534 ?        ?        371.2294 10.09831 0.000000       10.09831 
1 1 1 -12 29 2  o 134.1181 15.36000 540.7957       118.6402 0.000000       0.000000 540.7957       118.6402 ?        ?        134.1181 15.36000 0.000000       15.36000 
1 1 1 -12 29 3  f 336.5592 8.711137 3337.338       171.7994 3693.911       418.2548 3264.967       188.4289 350.4493 20.43874 332.7053 9.667139 17.74405       22.60963 
1 1 1 -12 29 4  o 216.2626 10.26244 1382.358       129.7902 0.000000       0.000000 1382.358       129.7902 ?        ?        216.2626 10.26244 0.000000       10.26244 
1 1 1 -12 29 5  f 99.24580 23.88339 309.3392       137.3237 0.000000       0.000000 309.3392       137.3237 ?        ?        99.24580 23.88339 0.000000       23.88339 
1 1 1 -12 29 6  o 213.6893 10.04222 1349.493       125.5008 423.5245       429.8303 1435.789       131.2186 122.0813 45.22315 220.4072 10.17873 -98.32596      46.35450 
1 1 1 -12 29 7  o 382.8032 10.86796 4329.563       243.7441 4985.437       531.8372 4155.170       274.2413 405.9505 22.42569 374.5526 12.50197 31.39795       25.67510 
1 1 1 -12 29 8  o 180.8755 11.13851 969.9592       117.5834 0.000000       0.000000 969.9592       117.5834 ?        ?        180.8755 11.13851 0.000000       11.13851 
1 1 1 -12 29 9  o 72.50054 20.11988 162.6859       88.56067 -109.4202      476.4643 172.4230       90.13127 93.60423 41.96281 74.51627 20.14576 19.08797       46.54814 
1 1 1 -12 29 10 o 186.8025 9.980063 1032.498       108.9400 0.000000       0.000000 1032.498       108.9400 ?        ?        186.8025 9.980063 0.000000       9.980063 
1 1 1 -12 29 11 o 178.8717 10.79881 948.6243       112.7562 0.000000       0.000000 948.6243       112.7562 ?        ?        178.8717 10.79881 0.000000       10.79881 
1 1 1 -12 29 12 o 94.70582 17.86353 276.9437       95.58163 0.000000       0.000000 276.9437       95.58163 ?        ?        94.70582 17.86353 0.000000       17.86353 
1 1 1 -12 29 13 o 227.5276 9.478042 1530.401       126.1976 0.000000       0.000000 1530.401       126.1976 ?        ?        227.5276 9.478042 0.000000       9.478042 
1 1 1 -12 29 14 o 354.1647 8.975581 3702.832       186.2809 0.000000       0.000000 3702.832       186.2809 ?        ?        354.1647 8.975581 0.000000       8.975581 
1 1 1 -12 29 15 o 220.9162 13.39730 1456.370       172.7623 0.000000       0.000000 1456.370       172.7623 ?        ?        220.9162 13.39730 0.000000       13.39730 
1 1 1 -12 29 16 o 365.8532 9.242830 3954.947       198.1593 0.000000       0.000000 3954.947       198.1593 ?        ?        365.8532 9.242830 0.000000       9.242830 
1 1 1 -12 29 17 o 321.0740 9.990591 3051.661       187.8962 0.000000       0.000000 3051.661       187.8962 ?        ?        321.0740 9.990591 0.000000       9.990591 
1 1 1 -12 29 18 o 138.7111 14.41471 580.4536       115.5567 0.000000       0.000000 580.4536       115.5567 ?        ?        138.7111 14.41471 0.000000       14.41471 
1 1 1 -12 29 19 o 207.4923 10.93214 1280.018       132.5631 0.000000       0.000000 1280.018       132.5631 ?        ?        207.4923 10.93214 0.000000       10.93214 
1 1 1 -12 29 20 o 171.1855 11.70136 875.0667       116.7709 0.000000       0.000000 875.0667       116.7709 ?        ?        171.1855 11.70136 0.000000       11.70136 
1 1 1 -12 29 21 o 227.9210 10.29599 1544.013       137.2714 0.000000       0.000000 1544.013       137.2714 ?        ?        227.9210 10.29599 0.000000       10.29599 
1 1 1 -12 29 22 o 102.0673 19.81948 329.3710       114.3614 0.000000       0.000000 329.3710       114.3614 ?        ?        102.0673 19.81948 0.000000       19.81948 
1 1 1 -12 29 23 o 40.96245 18.56393 -46.38950      96.20000 0.000000       0.000000 -46.38950      96.20000 ?        ?        40.96245 18.56393 0.000000       18.56393 
1 1 1 -12 29 24 o 310.3871 9.133886 2863.718       166.0876 0.000000       0.000000 2863.718       166.0876 ?        ?        310.3871 9.133886 0.000000       9.133886 
1 1 1 -12 29 25 o 68.47994 22.71036 146.6986       106.3549 0.000000       0.000000 146.6986       106.3549 ?        ?        68.47994 22.71036 0.000000       22.71036 
1 1 1 -12 29 26 o 219.7350 10.16894 1446.324       130.6912 0.000000       0.000000 1446.324       130.6912 ?        ?        219.7350 10.16894 0.000000       10.16894 
1 1 1 -12 29 27 o 115.0651 15.37284 412.8987       101.1473 0.000000       0.000000 412.8987       101.1473 ?        ?        115.0651 15.37284 0.000000       15.37284 
1 1 1 -12 29 28 o 48.02568 20.41944 17.66888       100.5034 0.000000       0.000000 17.66888       100.5034 ?        ?        48.02568 20.41944 0.000000       20.41944 
1 1 1 -12 29 29 o 134.0830 15.18956 561.3496       117.3439 0.000000       0.000000 561.3496       117.3439 ?        ?        134.0830 15.18956 0.000000       15.18956 
1 1 1 -12 29 30 o 60.85011 23.18711 102.8849       114.7342 0.000000       0.000000 102.8849       114.7342 ?        ?        60.85011 23.18711 0.000000       23.18711 
1 1 1 -12 29 31 o 76.76939 23.05418 203.4268       112.0983 0.000000       0.000000 203.4268       112.0983 ?        ?        76.76939 23.05418 0.000000       23.05418 
1 1 1 -12 29 32 o 35.53393 17.21041 -155.4070      110.5946 0.000000       0.000000 -155.4070      110.5946 ?        ?        35.53393 17.21041 0.000000       17.21041 
1 1 1 -12 29 33 o 43.70528 19.85723 -36.66179      110.9264 0.000000       0.000000 -36.66179      110.9264 ?        ?        43.70528 19.85723 0.000000       19.85723 
1 1 1 -12 29 34 o 54.24393 22.11873 65.09095       110.9737 0.000000       0.000000 65.09095       110.9737 ?        ?        54.24393 22.11873 0.000000       22.11873 
1 1 1 -12 29 35 o 146.3858 14.96296 682.5757       126.6547 0.000000       0.000000 682.5757       126.6547 ?        ?        146.3858 14.96296 0.000000       14.96296 
1 1 1 -12 29 36 o 48.34428 21.07786 15.12060       112.3898 382.2154       601.4440 1.838160       114.4050 90.10352 42.67942 47.36208 20.93616 42.74144       47.53794 
1 1 1 -12 29 37 o 46.15678 20.88324 -21.73799      121.1351 160.4118       558.1419 -30.74195      124.0929 81.82059 39.38877 45.92365 20.91866 35.89695       44.59895 
1 1 1 -12 29 38 o 58.32196 23.71676 91.17917       127.1726 -722.5205      463.9303 157.2897       132.2380 59.01178 29.68852 67.12989 25.04214 -8.118107      38.83963 
1 1 1 -12 30 1  o 313.2351 10.25980 2898.334       188.2234 0.000000       0.000000 2898.334       188.2234 ?        ?        313.2351 10.25980 0.000000       10.25980 
1 1 1 -12 30 2  o 291.6080 12.63294 2522.100       215.5376 1749.771       385.4688 2873.414       259.9777 237.2121 28.26300 310.8065 14.30082 -73.59435      31.67508 
1 1 1 -12 30 3  o 142.6855 13.10952 608.1407       108.4775 0.000000       0.000000 608.1407       108.4775 ?        ?        142.6855 13.10952 0.000000       13.10952 
1 1 1 -12 30 4  o 182.9594 10.50378 991.4143       112.2334 1987.495       383.1603 897.9307       117.3819 253.9240 26.10042 173.9007 11.57521 80.02336       28.55201 
1 1 1 -12 30 5  o 305.9088 9.558652 2762.368       171.2797 0.000000       0.000000 2762.368       171.2797 ?        ?        305.9088 9.558652 0.000000       9.558652 
1 1 1 -12 30 6  o 48.65233 20.32416 16.46021       96.79092 0.000000       0.000000 16.46021       96.79092 ?        ?        48.65233 20.32416 0.000000       20.32416 
1 1 1 -12 30 7  o 220.4608 13.12424 1446.010       168.9220 1326.959       456.5508 1464.892       181.8255 199.7160 40.36854 221.6673 14.05873 -21.95123      42.74654 
1 1 1 -12 30 8  o 70.99139 20.66713 155.2090       91.23831 -71.99725      478.4631 163.7826       92.94381 94.95494 42.34570 72.75833 20.76171 22.19661       47.16150 
1 1 1 -12 30 9  o 46.49400 19.62013 9.202994       91.62991 5.519093       506.8024 9.327486       93.16529 100.8186 44.33531 46.86757 19.78112 53.95099       48.54805 
1 1 1 -12 30 10 o 239.1597 12.62076 1701.074       176.3941 1098.124       520.0298 1779.467       187.5109 175.6948 48.75397 244.4847 13.12560 -68.78990      50.48991 
1 1 1 -12 30 11 o 89.16885 28.09890 246.7839       164.0949 0.000000       0.000000 246.7839       164.0949 ?        ?        89.16885 28.09890 0.000000       28.09890 
1 1 1 -12 30 12 o 257.8770 9.350422 1965.811       141.1805 0.000000       0.000000 1965.811       141.1805 ?        ?        257.8770 9.350422 0.000000       9.350422 
1 1 1 -12 30 13 o 223.4673 33.22342 1618.703       422.1934 0.000000       0.000000 1618.703       422.1934 ?        ?        223.4673 33.22342 0.000000       33.22342 
1 1 1 -12 30 14 o 260.2412 9.492731 2003.505       144.6404 0.000000       0.000000 2003.505       144.6404 ?        ?        260.2412 9.492731 0.000000       9.492731 
1 1 1 -12 30 15 o 450.8025 11.06805 6022.366       292.6227 0.000000       0.000000 6022.366       292.6227 ?        ?        450.8025 11.06805 0.000000       11.06805 
1 1 1 -12 30 16 o 209.8932 13.88645 1319.592       169.9776 0.000000       0.000000 1319.592       169.9776 ?        ?        209.8932 13.88645 0.000000       13.88645 
1 1 1 -12 30 17 o 155.0629 20.22225 742.8231       179.5253 0.000000       0.000000 742.8231       179.5253 ?        ?        155.0629 20.22225 0.000000       20.22225 
1 1 1 -12 30 18 o 134.8489 15.60187 552.9127       121.1149 0.000000       0.000000 552.9127       121.1149 ?        ?        134.8489 15.60187 0.000000       15.60187 
1 1 1 -12 30 19 o 97.80114 20.05260 302.1961       111.1530 0.000000       0.000000 302.1961       111.1530 ?        ?        97.80114 20.05260 0.000000       20.05260 
1 1 1 -12 30 20 o 88.24574 22.26996 250.5191       115.2412 0.000000       0.000000 250.5191       115.2412 ?        ?        88.24574 22.26996 0.000000       22.26996 
1 1 1 -12 30 21 o 232.2855 10.21071 1606.756       138.7605 0.000000       0.000000 1606.756       138.7605 ?        ?        232.2855 10.21071 0.000000       10.21071 
1 1 1 -12 30 22 o 187.2968 11.32062 1051.721       123.7710 0.000000       0.000000 1051.721       123.7710 ?        ?        187.2968 11.32062 0.000000       11.32062 
1 1 1 -12 30 23 o 244.0562 9.682596 1776.150       138.3151 0.000000       0.000000 1776.150       138.3151 ?        ?        244.0562 9.682596 0.000000       9.682596 
1 1 1 -12 30 24 o 128.6109 15.03778 510.7317       111.2871 0.000000       0.000000 510.7317       111.2871 ?        ?        128.6109 15.03778 0.000000       15.03778 
1 1 1 -12 30 25 o 104.7793 21.05985 359.4027       124.9204 0.000000       0.000000 359.4027       124.9204 ?        ?        104.7793 21.05985 0.000000       21.05985 
1 1 1 -12 30 26 o 189.6088 13.07092 1096.309       144.4607 0.000000       0.000000 1096.309       144.4607 ?        ?        189.6088 13.07092 0.000000       13.07092 
1 1 1 -12 30 27 o 204.9677 10.70071 1266.177       128.1864 0.000000       0.000000 1266.177       128.1864 ?        ?        204.9677 10.70071 0.000000       10.70071 
1 1 1 -12 30 28 o 114.3885 17.22909 417.8003       111.9994 0.000000       0.000000 417.8003       111.9994 ?        ?        114.3885 17.22909 0.000000       17.22909 
1 1 1 -12 30 29 o 58.65648 22.56155 92.25218       109.3062 0.000000       0.000000 92.25218       109.3062 ?        ?        58.65648 22.56155 0.000000       22.56155 
1 1 1 -12 30 30 o 84.64442 22.42789 247.5798       113.1038 0.000000       0.000000 247.5798       113.1038 ?        ?        84.64442 22.42789 0.000000       22.42789 
1 1 1 -12 30 31 o 54.64909 22.27091 62.89116       112.4267 0.000000       0.000000 62.89116       112.4267 ?        ?        54.64909 22.27091 0.000000       22.27091 
1 1 1 -12 30 32 o 145.8860 15.17039 674.3458       127.9025 0.000000       0.000000 674.3458       127.9025 ?        ?        145.8860 15.17039 0.000000       15.17039 
1 1 1 -12 30 33 f 40.96984 19.17064 -79.54509      114.9104 0.000000       0.000000 -79.54509      114.9104 ?        ?        40.96984 19.17064 0.000000       19.17064 
1 1 1 -12 30 34 o 95.18493 21.99448 319.4468       120.3156 0.000000       0.000000 319.4468       120.3156 ?        ?        95.18493 21.99448 0.000000       21.99448 
1 1 1 -12 30 35 f 59.78776 23.52149 103.5209       120.9280 0.000000       0.000000 103.5209       120.9280 ?        ?        59.78776 23.52149 0.000000       23.52149 
1 1 1 -12 30 36 o 104.9330 22.49738 394.2773       134.2929 0.000000       0.000000 394.2773       134.2929 ?        ?        104.9330 22.49738 0.000000       22.49738 
1 1 1 -12 30 37 o 204.3736 12.40628 1302.384       148.0016 0.000000       0.000000 1302.384       148.0016 ?        ?        204.3736 12.40628 0.000000       12.40628 
1 1 1 -12 31 1  o 450.8083 9.430282 5996.036       249.3257 7425.031       539.4393 5607.841       281.1589 497.0110 18.53907 435.3496 11.02078 61.66141       21.56745 
1 1 1 -12 31 2  o 248.9330 10.48749 1834.180       152.7674 0.000000       0.000000 1834.180       152.7674 ?        ?        248.9330 10.48749 0.000000       10.48749 
1 1 1 -12 31 3  o 299.0522 12.06508 2653.466       211.1715 2709.832       402.7569 2632.096       247.9923 297.5851 23.26182 297.1533 14.27180 0.4318542      27.29096 
1 1 1 -12 31 4  o 289.5033 9.995937 2478.062       169.4632 0.000000       0.000000 2478.062       169.4632 ?        ?        289.5033 9.995937 0.000000       9.995937 
1 1 1 -12 31 5  o 183.4229 11.60247 1000.041       124.1719 0.000000       0.000000 1000.041       124.1719 ?        ?        183.4229 11.60247 0.000000       11.60247 
1 1 1 -12 31 6  o 222.0034 15.72580 1478.580       203.4242 0.000000       0.000000 1478.580       203.4242 ?        ?        222.0034 15.72580 0.000000       15.72580 
1 1 1 -12 31 7  o 138.3566 13.17026 573.5952       105.5797 714.5633       445.5248 565.2075       108.6754 143.7585 46.41088 137.2155 13.68685 6.543045       48.38697 
1 1 1 -12 31 8  o 209.9480 9.773757 1304.808       120.0135 1591.742       471.5038 1284.931       124.1009 218.8693 38.11671 208.2536 10.19185 10.61568       39.45576 
1 1 1 -12 31 9  o 297.1312 8.597127 2606.163       149.6564 3060.724       519.8383 2565.084       156.2725 312.0010 28.73184 294.6720 9.053336 17.32901       30.12444 
1 1 1 -12 31 10 o 72.17126 33.58971 -240.3750      345.1998 -100.3979      493.8815 -374.0766      482.6835 93.83285 42.33739 82.42175 38.79502 11.41110       57.42394 
1 1 1 -12 31 11 o 392.1697 8.801457 4539.069       202.4320 5075.622       568.0771 4461.026       216.6545 405.8142 23.97558 388.5757 9.506955 17.23846       25.79168 
1 1 1 -12 31 12 o 202.9297 10.45387 1222.016       123.9957 0.000000       0.000000 1222.016       123.9957 ?        ?        202.9297 10.45387 0.000000       10.45387 
1 1 1 -12 31 13 o 197.3844 11.30237 1158.990       130.2908 0.000000       0.000000 1158.990       130.2908 ?        ?        197.3844 11.30237 0.000000       11.30237 
1 1 1 -12 31 14 o 286.8884 10.27342 2439.757       172.5745 0.000000       0.000000 2439.757       172.5745 ?        ?        286.8884 10.27342 0.000000       10.27342 
1 1 1 -12 31 15 o 118.4054 43.20615 454.4614       389.9438 0.000000       0.000000 454.4614       389.9438 ?        ?        118.4054 43.20615 0.000000       43.20615 
1 1 1 -12 31 16 o 270.3115 10.72600 2171.042       169.7032 0.000000       0.000000 2171.042       169.7032 ?        ?        270.3115 10.72600 0.000000       10.72600 
1 1 1 -12 31 17 o 260.3561 13.76716 2033.971       209.4673 0.000000       0.000000 2033.971       209.4673 ?        ?        260.3561 13.76716 0.000000       13.76716 
1 1 1 -12 31 18 o 51.79742 21.41173 31.13238       105.8323 0.000000       0.000000 31.13238       105.8323 ?        ?        51.79742 21.41173 0.000000       21.41173 
1 1 1 -12 31 19 o 194.5379 11.44011 1132.215       129.9462 0.000000       0.000000 1132.215       129.9462 ?        ?        194.5379 11.44011 0.000000       11.44011 
1 1 1 -12 31 20 f 83.06052 28.99961 216.0310       173.7349 0.000000       0.000000 216.0310       173.7349 ?        ?        83.06052 28.99961 0.000000       28.99961 
1 1 1 -12 31 21 o 65.32510 22.09712 129.5291       100.6322 0.000000       0.000000 129.5291       100.6322 ?        ?        65.32510 22.09712 0.000000       22.09712 
1 1 1 -12 31 22 o 161.8400 12.14542 791.9589       114.4378 0.000000       0.000000 791.9589       114.4378 ?        ?        161.8400 12.14542 0.000000       12.14542 
1 1 1 -12 31 23 o 245.5083 10.20197 1805.078       146.5729 0.000000       0.000000 1805.078       146.5729 ?        ?        245.5083 10.20197 0.000000       10.20197 
1 1 1 -12 31 24 f 60.47660 22.14019 103.4572       102.5191 0.000000       0.000000 103.4572       102.5191 ?        ?        60.47660 22.14019 0.000000       22.14019 
1 1 1 -12 31 25 o 134.6509 14.56292 561.1913       113.1749 0.000000       0.000000 561.1913       113.1749 ?        ?        134.6509 14.56292 0.000000       14.56292 
1 1 1 -12 31 26 o 71.02396 22.53358 166.5302       105.3686 0.000000       0.000000 166.5302       105.3686 ?        ?        71.02396 22.53358 0.000000       22.53358 
1 1 1 -12 31 27 o 89.95364 21.18149 272.1787       109.8838 0.000000       0.000000 272.1787       109.8838 ?        ?        89.95364 21.18149 0.000000       21.18149 
1 1 1 -12 31 28 o 211.0835 10.91298 1351.198       134.6391 0.000000       0.000000 1351.198       134.6391 ?        ?        211.0835 10.91298 0.000000       10.91298 
1 1 1 -12 31 29 o 83.63268 22.18624 241.3947       110.5961 0.000000       0.000000 241.3947       110.5961 ?        ?        83.63268 22.18624 0.000000       22.18624 
1 1 1 -12 31 30 o 108.2680 18.73189 386.7690       114.6376 0.000000       0.000000 386.7690       114.6376 ?        ?        108.2680 18.73189 0.000000       18.73189 
1 1 1 -12 31 31 o 37.27777 17.93917 -140.7227      115.5266 0.000000       0.000000 -140.7227      115.5266 ?        ?        37.27777 17.93917 0.000000       17.93917 
1 1 1 -12 31 32 o 106.4844 21.83149 394.0074       131.7570 0.000000       0.000000 394.0074       131.7570 ?        ?        106.4844 21.83149 0.000000       21.83149 
1 1 1 -12 31 33 o 127.7877 18.27744 541.4258       133.0825 0.000000       0.000000 541.4258       133.0825 ?        ?        127.7877 18.27744 0.000000       18.27744 
1 1 1 -12 31 34 o 59.95044 23.71124 103.3671       123.4743 0.000000       0.000000 103.3671       123.4743 ?        ?        59.95044 23.71124 0.000000       23.71124 
1 1 1 -12 31 35 o 147.6595 16.64832 713.1434       141.6622 0.000000       0.000000 713.1434       141.6622 ?        ?        147.6595 16.64832 0.000000       16.64832 
1 1 1 -12 31 36 o 60.42393 26.38476 64.46198       176.6872 0.000000       0.000000 64.46198       176.6872 ?        ?        60.42393 26.38476 0.000000       26.38476 
1 1 1 -12 32 1  o 208.0267 10.76361 1283.867       130.8725 1493.651       349.9351 1249.754       141.1127 217.6031 28.07377 205.0001 11.78681 12.60301       30.44775 
1 1 1 -12 32 2  o 327.1955 9.087799 3162.169       174.2191 2921.261       372.4504 3229.645       197.1132 309.8577 20.61256 330.3660 10.18565 -20.50833      22.99185 
1 1 1 -12 32 3  o 65.13354 23.19199 114.4478       111.5317 0.000000       0.000000 114.4478       111.5317 ?        ?        65.13354 23.19199 0.000000       23.19199 
1 1 1 -12 32 4  o 203.1218 33.31968 1342.152       383.1741 1342.152       383.1741 0.000000       0.000000 203.1218 33.31968 ?        ?        0.000000       33.31968 
1 1 1 -12 32 5  o 44.47013 19.93515 -43.09916      107.5205 0.000000       0.000000 -43.09916      107.5205 ?        ?        44.47013 19.93515 0.000000       19.93515 
1 1 1 -12 32 6  o 112.4672 16.78882 387.2030       107.3521 920.0002       373.9579 339.3524       112.0691 164.1061 39.36198 104.5509 18.97577 59.55523       43.69720 
1 1 1 -12 32 7  o 230.2881 9.945885 1570.866       134.0110 1540.272       411.4060 1574.498       141.7416 217.4914 33.31290 230.4187 10.51661 -12.92737      34.93348 
1 1 1 -12 32 8  o 355.8510 9.051093 3741.600       188.7413 4030.978       475.0844 3687.368       205.6684 362.4335 22.46111 352.9841 9.944772 9.449371       24.56421 
1 1 1 -12 32 9  o 232.4796 9.786372 1600.814       133.1326 1586.150       462.3607 1602.140       139.0204 217.5374 37.60035 232.4709 10.22169 -14.93344      38.96497 
1 1 1 -12 32 10 o 172.4494 11.51055 886.1136       115.7484 1243.280       459.0792 861.8671       119.6127 188.4690 42.54511 169.9263 12.08114 18.54266       44.22715 
1 1 1 -12 32 11 o 111.5207 16.63478 381.4120       105.4761 -574.1944      451.1253 436.6715       108.4829 72.42880 35.00236 119.6988 15.84185 -47.26999      38.42043 
1 1 1 -12 32 12 o 157.1463 20.80513 765.2411       187.0392 0.000000       0.000000 765.2411       187.0392 ?        ?        157.1463 20.80513 0.000000       20.80513 
1 1 1 -12 32 13 o 170.2095 11.94045 865.7090       118.4381 -141.7021      488.6707 928.5798       122.0779 90.07286 41.21266 176.3275 11.87425 -86.25465      42.88918 
1 1 1 -12 32 14 o 236.7411 14.79133 1687.508       204.3412 0.000000       0.000000 1687.508       204.3412 ?        ?        236.7411 14.79133 0.000000       14.79133 
1 1 1 -12 32 15 o 269.1840 10.52881 2154.369       165.8977 0.000000       0.000000 2154.369       165.8977 ?        ?        269.1840 10.52881 0.000000       10.52881 
1 1 1 -12 32 16 o 191.2346 11.45759 1092.961       127.9128 0.000000       0.000000 1092.961       127.9128 ?        ?        191.2346 11.45759 0.000000       11.45759 
1 1 1 -12 32 17 o 119.9413 17.66938 447.2582       120.5715 0.000000       0.000000 447.2582       120.5715 ?        ?        119.9413 17.66938 0.000000       17.66938 
1 1 1 -12 32 18 o 148.7856 13.85896 672.4801       119.5414 0.000000       0.000000 672.4801       119.5414 ?        ?        148.7856 13.85896 0.000000       13.85896 
1 1 1 -12 32 19 o 75.03410 22.68859 181.7844       108.3015 0.000000       0.000000 181.7844       108.3015 ?        ?        75.03410 22.68859 0.000000       22.68859 
1 1 1 -12 32 20 o 153.8279 14.09467 723.0665       125.7453 0.000000       0.000000 723.0665       125.7453 ?        ?        153.8279 14.09467 0.000000       14.09467 
1 1 1 -12 32 21 o 51.51996 21.07429 42.10565       101.1307 0.000000       0.000000 42.10565       101.1307 ?        ?        51.51996 21.07429 0.000000       21.07429 
1 1 1 -12 32 22 o 88.74809 37.93648 189.5608       350.1999 0.000000       0.000000 189.5608       350.1999 ?        ?        88.74809 37.93648 0.000000       37.93648 
1 1 1 -12 32 23 o 166.6225 12.97711 847.3347       125.8132 0.000000       0.000000 847.3347       125.8132 ?        ?        166.6225 12.97711 0.000000       12.97711 
1 1 1 -12 32 24 o 221.6394 11.65963 1487.324       151.0260 0.000000       0.000000 1487.324       151.0260 ?        ?        221.6394 11.65963 0.000000       11.65963 
1 1 1 -12 32 25 o 235.9269 10.30376 1676.083       142.2247 0.000000       0.000000 1676.083       142.2247 ?        ?        235.9269 10.30376 0.000000       10.30376 
1 1 1 -12 32 26 o 67.58788 22.92348 149.1264       108.3040 0.000000       0.000000 149.1264       108.3040 ?        ?        67.58788 22.92348 0.000000       22.92348 
1 1 1 -12 32 27 o 93.12384 21.30686 294.5223       113.8400 0.000000       0.000000 294.5223       113.8400 ?        ?        93.12384 21.30686 0.000000       21.30686 
1 1 1 -12 32 28 o 66.84544 23.36121 146.5405       112.7602 0.000000       0.000000 146.5405       112.7602 ?        ?        66.84544 23.36121 0.000000       23.36121 
1 1 1 -12 32 29 o 102.8393 20.16241 356.1310       117.2567 0.000000       0.000000 356.1310       117.2567 ?        ?        102.8393 20.16241 0.000000       20.16241 
1 1 1 -12 32 30 o 76.28092 24.44653 207.9567       123.7692 0.000000       0.000000 207.9567       123.7692 ?        ?        76.28092 24.44653 0.000000       24.44653 
1 1 1 -12 32 31 o 199.1628 12.92488 1233.051       150.1528 0.000000       0.000000 1233.051       150.1528 ?        ?        199.1628 12.92488 0.000000       12.92488 
1 1 1 -12 32 32 o 72.12738 25.06151 186.4148       129.6697 0.000000       0.000000 186.4148       129.6697 ?        ?        72.12738 25.06151 0.000000       25.06151 
1 1 1 -12 32 33 o 115.4065 21.41375 464.2391       139.6002 0.000000       0.000000 464.2391       139.6002 ?        ?        115.4065 21.41375 0.000000       21.41375 
1 1 1 -12 32 34 o 123.7270 20.00978 524.8909       140.2430 0.000000       0.000000 524.8909       140.2430 ?        ?        123.7270 20.00978 0.000000       20.00978 
1 1 1 -12 32 35 o 55.99436 23.75775 62.43541       135.5652 0.000000       0.000000 62.43541       135.5652 ?        ?        55.99436 23.75775 0.000000       23.75775 
1 1 1 -12 33 1  o 374.5204 11.03255 4160.015       242.0629 0.000000       0.000000 4160.015       242.0629 ?        ?        374.5204 11.03255 0.000000       11.03255 
1 1 1 -12 33 2  o 434.9683 11.23275 5612.545       286.3061 5903.741       460.3604 5428.877       365.6140 442.3206 17.78265 426.0710 14.65336 16.24960       23.04221 
1 1 1 -12 33 3  o 386.7912 10.96116 4436.680       248.3965 4107.512       382.0266 4677.766       326.9421 368.8392 17.71239 395.7256 14.10983 -26.88632      22.64544 
1 1 1 -12 33 4  o 138.4189 15.39163 580.1567       122.8379 0.000000       0.000000 580.1567       122.8379 ?        ?        138.4189 15.39163 0.000000       15.39163 
1 1 1 -12 33 5  o 152.0005 39.94596 801.2950       360.6874 801.2950       360.6874 0.000000       0.000000 152.0005 39.94596 ?        ?        0.000000       39.94596 
1 1 1 -12 33 6  o 99.04037 20.28226 308.2661       113.8416 0.000000       0.000000 308.2661       113.8416 ?        ?        99.04037 20.28226 0.000000       20.28226 
1 1 1 -12 33 7  o 58.90360 21.95322 84.60358       101.5813 -158.7817      365.9431 104.9234       105.7368 77.66995 35.58505 62.69847 22.55157 14.97149       42.12920 
1 1 1 -12 33 8  o 161.5505 11.84269 779.5323       111.4246 661.4291       373.4353 791.0745       116.7424 136.9716 42.27064 162.6243 12.33226 -25.65260      44.03284 
1 1 1 -12 33 9  o 98.39319 18.87348 302.7702       104.9492 -28.24943      425.5825 324.2036       108.2936 89.49931 39.92332 101.9177 18.81050 -12.41838      44.13283 
1 1 1 -12 33 10 o 227.3369 9.866784 1533.426       131.2384 1643.562       449.5716 1523.167       137.2150 220.8196 35.95003 226.4385 10.35984 -5.618896      37.41298 
1 1 1 -12 33 11 o 215.4813 10.20846 1379.705       128.6422 1908.652       481.1905 1338.990       133.5015 237.9957 35.56359 212.1143 10.76684 25.88144       37.15770 
1 1 1 -12 33 12 o 111.9081 17.23220 387.2751       109.4734 -316.4643      483.4367 425.3125       112.3930 82.36003 38.78433 117.5263 16.78227 -35.16625      42.25954 
1 1 1 -12 33 13 o 204.7739 11.87968 1254.065       142.0565 0.000000       0.000000 1254.065       142.0565 ?        ?        204.7739 11.87968 0.000000       11.87968 
1 1 1 -12 33 14 o 214.0663 10.42399 1365.437       130.4744 869.7272       465.0799 1407.784       135.9332 148.7551 47.35825 217.2757 10.70044 -68.52068      48.55206 
1 1 1 -12 33 15 o 59.46556 22.88522 82.21247       112.5079 0.000000       0.000000 82.21247       112.5079 ?        ?        59.46556 22.88522 0.000000       22.88522 
1 1 1 -12 33 16 o 92.19352 21.83462 276.5763       116.2266 0.000000       0.000000 276.5763       116.2266 ?        ?        92.19352 21.83462 0.000000       21.83462 
1 1 1 -12 33 17 o 181.7867 12.33758 997.1289       130.7560 0.000000       0.000000 997.1289       130.7560 ?        ?        181.7867 12.33758 0.000000       12.33758 
1 1 1 -12 33 18 o 258.9221 9.954123 2002.730       150.8735 0.000000       0.000000 2002.730       150.8735 ?        ?        258.9221 9.954123 0.000000       9.954123 
1 1 1 -12 33 19 o 98.26768 19.59709 312.0812       108.9781 0.000000       0.000000 312.0812       108.9781 ?        ?        98.26768 19.59709 0.000000       19.59709 
1 1 1 -12 33 20 o 84.27464 21.80952 235.8842       108.6154 0.000000       0.000000 235.8842       108.6154 ?        ?        84.27464 21.80952 0.000000       21.80952 
1 1 1 -12 33 21 f 84.88544 21.74114 240.2829       108.7004 0.000000       0.000000 240.2829       108.7004 ?        ?        84.88544 21.74114 0.000000       21.74114 
1 1 1 -12 33 22 o 200.8635 11.28051 1219.237       132.3523 0.000000       0.000000 1219.237       132.3523 ?        ?        200.8635 11.28051 0.000000       11.28051 
1 1 1 -12 33 23 o 108.3780 28.57282 423.6846       184.1611 0.000000       0.000000 423.6846       184.1611 ?        ?        108.3780 28.57282 0.000000       28.57282 
1 1 1 -12 33 24 o 210.6189 13.82511 1367.289       169.8277 0.000000       0.000000 1367.289       169.8277 ?        ?        210.6189 13.82511 0.000000       13.82511 
1 1 1 -12 33 25 o 158.1570 14.03517 776.8775       128.8334 0.000000       0.000000 776.8775       128.8334 ?        ?        158.1570 14.03517 0.000000       14.03517 
1 1 1 -12 33 26 o 76.08686 23.71109 200.6018       117.1767 0.000000       0.000000 200.6018       117.1767 ?        ?        76.08686 23.71109 0.000000       23.71109 
1 1 1 -12 33 27 o 50.52807 21.68109 23.89177       115.1840 0.000000       0.000000 23.89177       115.1840 ?        ?        50.52807 21.68109 0.000000       21.68109 
1 1 1 -12 33 28 o 160.9128 14.12306 811.0939       131.9310 0.000000       0.000000 811.0939       131.9310 ?        ?        160.9128 14.12306 0.000000       14.12306 
1 1 1 -12 33 29 o 76.81569 24.60575 212.2464       125.3981 0.000000       0.000000 212.2464       125.3981 ?        ?        76.81569 24.60575 0.000000       24.60575 
1 1 1 -12 33 30 o 51.29253 22.47625 15.88626       129.2110 0.000000       0.000000 15.88626       129.2110 ?        ?        51.29253 22.47625 0.000000       22.47625 
1 1 1 -12 33 31 o 55.20619 23.28801 56.70731       129.0146 0.000000       0.000000 56.70731       129.0146 ?        ?        55.20619 23.28801 0.000000       23.28801 
1 1 1 -12 33 32 o 72.92016 25.74539 194.8719       137.1909 0.000000       0.000000 194.8719       137.1909 ?        ?        72.92016 25.74539 0.000000       25.74539 
1 1 1 -12 33 33 o 68.90181 25.72144 168.0739       139.5588 0.000000       0.000000 168.0739       139.5588 ?        ?        68.90181 25.72144 0.000000       25.72144 
1 1 1 -12 33 34 o 70.46809 26.14822 180.7173       143.8124 0.000000       0.000000 180.7173       143.8124 ?        ?        70.46809 26.14822 0.000000       26.14822 
1 1 1 -12 34 1  o 228.7860 12.06500 1561.312       161.3130 0.000000       0.000000 1561.312       161.3130 ?        ?        228.7860 12.06500 0.000000       12.06500 
1 1 1 -12 34 2  o 232.6993 10.84292 1609.932       147.5694 1783.895       354.1766 1573.388       162.3309 237.7144 25.81890 229.6531 12.09518 8.061279       28.51155 
1 1 1 -12 34 3  o 233.3312 15.21086 1640.273       207.0157 2131.411       380.7793 1434.198       246.6518 260.3433 25.25577 216.1734 19.67021 44.16991       32.01205 
1 1 1 -12 34 4  o 327.0548 10.60099 3175.989       203.0689 0.000000       0.000000 3175.989       203.0689 ?        ?        327.0548 10.60099 0.000000       10.60099 
1 1 1 -12 34 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 34 6  o 317.3988 12.09275 3004.355       224.6911 3387.533       410.2311 2840.140       268.5564 331.4374 21.21598 307.2352 14.94926 24.20218       25.95376 
1 1 1 -12 34 7  o 115.1414 16.74916 408.1894       109.7896 240.4276       374.9452 423.9223       114.8223 100.0970 40.71634 117.2291 17.21328 -17.13205      44.20540 
1 1 1 -12 34 8  o 78.82089 21.76699 198.0494       103.9358 -76.68578      342.8148 225.8594       109.0694 78.02219 35.23189 83.97446 21.91691 -5.952263      41.49261 
1 1 1 -12 34 9  o 90.88718 28.56995 267.5488       169.7431 256.8998       378.3263 270.2328       189.9333 100.8322 40.94234 91.77561 30.34589 9.056602       50.96223 
1 1 1 -12 34 10 o 58.38304 21.96189 83.41785       102.1501 -301.8618      409.8109 108.9416       105.4795 75.08360 35.46469 62.85082 22.53419 12.23278       42.01826 
1 1 1 -12 34 11 o 53.53466 26.62352 -704.7458      326.7303 -1012.325      429.5510 -282.4937      503.2946 58.79103 29.43501 83.93037 39.53896 -25.13933      49.29248 
1 1 1 -12 34 12 o 231.1286 10.57596 1594.093       142.9788 945.8612       436.2315 1672.111       151.3385 155.2264 45.19111 236.5870 10.93666 -81.36066      46.49567 
1 1 1 -12 34 13 o 302.8054 10.31002 2734.216       182.8268 0.000000       0.000000 2734.216       182.8268 ?        ?        302.8054 10.31002 0.000000       10.31002 
1 1 1 -12 34 14 o 140.5309 14.59256 604.3178       118.5201 539.6047       434.0887 609.5305       123.2012 118.6752 45.12995 140.9192 15.14452 -22.24403      47.60324 
1 1 1 -12 34 15 o 84.40441 22.47753 234.7215       113.2441 338.6893       478.2237 228.5452       116.5592 105.4635 44.67894 83.20155 23.07950 22.26200       50.28788 
1 1 1 -12 34 16 o 186.5429 11.92779 1050.367       129.8099 0.000000       0.000000 1050.367       129.8099 ?        ?        186.5429 11.92779 0.000000       11.92779 
1 1 1 -12 34 17 o 47.82124 20.73036 1.090320       107.4204 0.000000       0.000000 1.090320       107.4204 ?        ?        47.82124 20.73036 0.000000       20.73036 
1 1 1 -12 34 18 o 98.13431 19.87776 313.3311       110.4772 0.000000       0.000000 313.3311       110.4772 ?        ?        98.13431 19.87776 0.000000       19.87776 
1 1 1 -12 34 19 o 90.71664 21.00808 272.3555       109.5673 0.000000       0.000000 272.3555       109.5673 ?        ?        90.71664 21.00808 0.000000       21.00808 
1 1 1 -12 34 20 o 147.8041 14.84934 676.8364       126.9772 0.000000       0.000000 676.8364       126.9772 ?        ?        147.8041 14.84934 0.000000       14.84934 
1 1 1 -12 34 21 o 74.51611 23.90489 185.7719       118.3240 0.000000       0.000000 185.7719       118.3240 ?        ?        74.51611 23.90489 0.000000       23.90489 
1 1 1 -12 34 22 o 78.11356 23.09842 207.9972       113.2086 0.000000       0.000000 207.9972       113.2086 ?        ?        78.11356 23.09842 0.000000       23.09842 
1 1 1 -12 34 23 o 99.79407 20.73326 333.6881       117.3767 0.000000       0.000000 333.6881       117.3767 ?        ?        99.79407 20.73326 0.000000       20.73326 
1 1 1 -12 34 24 o 50.56461 21.32918 32.61312       108.2168 0.000000       0.000000 32.61312       108.2168 ?        ?        50.56461 21.32918 0.000000       21.32918 
1 1 1 -12 34 25 o 52.41204 21.79878 46.18600       110.6340 0.000000       0.000000 46.18600       110.6340 ?        ?        52.41204 21.79878 0.000000       21.79878 
1 1 1 -12 34 26 o 115.6092 21.85955 456.9326       142.7838 0.000000       0.000000 456.9326       142.7838 ?        ?        115.6092 21.85955 0.000000       21.85955 
1 1 1 -12 34 27 o 87.22019 34.62086 303.5994       264.1198 0.000000       0.000000 303.5994       264.1198 ?        ?        87.22019 34.62086 0.000000       34.62086 
1 1 1 -12 34 28 o 73.01501 25.53889 189.3428       134.7795 0.000000       0.000000 189.3428       134.7795 ?        ?        73.01501 25.53889 0.000000       25.53889 
1 1 1 -12 34 29 o 67.71931 25.36983 154.0428       136.0148 0.000000       0.000000 154.0428       136.0148 ?        ?        67.71931 25.36983 0.000000       25.36983 
1 1 1 -12 34 30 o 92.83881 24.59621 318.3376       136.0409 0.000000       0.000000 318.3376       136.0409 ?        ?        92.83881 24.59621 0.000000       24.59621 
1 1 1 -12 34 31 o 109.3044 23.09925 429.9531       143.4337 0.000000       0.000000 429.9531       143.4337 ?        ?        109.3044 23.09925 0.000000       23.09925 
1 1 1 -12 34 32 o 64.51215 25.39111 133.6542       140.9693 0.000000       0.000000 133.6542       140.9693 ?        ?        64.51215 25.39111 0.000000       25.39111 
1 1 1 -12 34 33 o 82.00982 26.50226 262.6448       145.2547 0.000000       0.000000 262.6448       145.2547 ?        ?        82.00982 26.50226 0.000000       26.50226 
1 1 1 -12 35 1  o 140.7431 16.05656 605.8260       130.1668 0.000000       0.000000 605.8260       130.1668 ?        ?        140.7431 16.05656 0.000000       16.05656 
1 1 1 -12 35 2  f 367.0537 12.00875 4023.894       258.1623 3717.171       380.8820 4284.561       351.1241 348.2774 18.71599 376.1784 15.95156 -27.90100      24.59147 
1 1 1 -12 35 3  o 198.5127 12.76702 1183.245       147.8494 0.000000       0.000000 1183.245       147.8494 ?        ?        198.5127 12.76702 0.000000       12.76702 
1 1 1 -12 35 4  o 269.4603 23.15069 2284.944       362.3125 2284.944       362.3125 0.000000       0.000000 269.4603 23.15069 ?        ?        0.000000       23.15069 
1 1 1 -12 35 5  o 270.0478 9.518658 2165.882       150.5175 2892.953       383.7420 2033.684       163.6301 304.4647 21.63164 261.2281 10.70320 43.23663       24.13475 
1 1 1 -12 35 6  o 84.67688 22.55439 232.2321       114.0063 0.000000       0.000000 232.2321       114.0063 ?        ?        84.67688 22.55439 0.000000       22.55439 
1 1 1 -12 35 7  o 94.57169 22.48169 290.4661       122.8521 168.5958       328.6284 310.2645       132.4557 89.92213 37.49831 97.46735 23.45679 -7.545227      44.23058 
1 1 1 -12 35 8  o 257.9037 12.89163 2001.190       194.3733 1822.052       354.3629 2078.281       232.4648 237.2063 25.89244 261.5429 15.22105 -24.33661      30.03495 
1 1 1 -12 35 9  o 158.8630 20.11001 794.2836       183.1723 919.1619       379.5316 756.3630       209.1423 155.7671 40.99548 152.7632 24.14531 3.003860       47.57757 
1 1 1 -12 35 10 f 220.8975 10.23191 1456.979       132.1955 1568.380       402.2084 1443.487       139.9718 212.4104 33.38711 219.6050 10.90204 -7.194595      35.12198 
1 1 1 -12 35 11 o 198.3755 11.93749 1184.699       138.2412 0.000000       0.000000 1184.699       138.2412 ?        ?        198.3755 11.93749 0.000000       11.93749 
1 1 1 -12 35 12 o 181.4001 11.76817 991.5979       124.5222 302.8847       415.0675 1059.715       130.5350 100.9207 42.11795 187.4800 11.93388 -86.55927      43.77601 
1 1 1 -12 35 13 o 216.5891 10.59197 1406.343       134.1359 497.1404       445.4948 1496.986       140.6634 113.3437 44.97200 223.3940 10.76812 -110.0503      46.24320 
1 1 1 -12 35 14 o 63.85904 22.59138 121.0039       105.6784 -195.1619      456.4153 138.9139       108.6304 79.45383 37.49802 67.05642 22.95385 12.39742       43.96567 
1 1 1 -12 35 15 o 157.0260 12.32973 748.5640       112.6369 232.0647       476.8551 779.0844       115.9170 97.40113 42.91249 160.1650 12.43781 -62.76391      44.67865 
1 1 1 -12 35 16 f 109.6500 19.03751 386.9125       117.9863 0.000000       0.000000 386.9125       117.9863 ?        ?        109.6500 19.03751 0.000000       19.03751 
1 1 1 -12 35 17 o 59.85846 22.16098 99.89968       103.1910 245.1959       450.6083 91.85824       106.0081 95.57288 41.92390 58.94573 22.32848 36.62716       47.49920 
1 1 1 -12 35 18 o 95.57108 19.61761 298.7985       106.2702 0.000000       0.000000 298.7985       106.2702 ?        ?        95.57108 19.61761 0.000000       19.61761 
1 1 1 -12 35 19 o 170.2045 13.07037 887.5333       129.4713 0.000000       0.000000 887.5333       129.4713 ?        ?        170.2045 13.07037 0.000000       13.07037 
1 1 1 -12 35 20 o 83.66460 23.67392 241.1664       121.3560 0.000000       0.000000 241.1664       121.3560 ?        ?        83.66460 23.67392 0.000000       23.67392 
1 1 1 -12 35 21 o 139.9567 15.93001 618.4888       128.4312 0.000000       0.000000 618.4888       128.4312 ?        ?        139.9567 15.93001 0.000000       15.93001 
1 1 1 -12 35 22 o 75.62999 23.80051 197.3538       117.7682 0.000000       0.000000 197.3538       117.7682 ?        ?        75.62999 23.80051 0.000000       23.80051 
1 1 1 -12 35 23 o 120.3191 17.75648 469.2224       121.5366 0.000000       0.000000 469.2224       121.5366 ?        ?        120.3191 17.75648 0.000000       17.75648 
1 1 1 -12 35 24 o 59.80448 22.90782 101.6586       112.3676 0.000000       0.000000 101.6586       112.3676 ?        ?        59.80448 22.90782 0.000000       22.90782 
1 1 1 -12 35 25 o 194.1545 12.39867 1162.359       140.4422 0.000000       0.000000 1162.359       140.4422 ?        ?        194.1545 12.39867 0.000000       12.39867 
1 1 1 -12 35 26 o 72.75642 25.21405 186.8351       131.2131 0.000000       0.000000 186.8351       131.2131 ?        ?        72.75642 25.21405 0.000000       25.21405 
1 1 1 -12 35 27 o 128.9638 18.86996 554.1013       138.4983 0.000000       0.000000 554.1013       138.4983 ?        ?        128.9638 18.86996 0.000000       18.86996 
1 1 1 -12 35 28 o 75.52459 26.27563 209.9285       142.5609 0.000000       0.000000 209.9285       142.5609 ?        ?        75.52459 26.27563 0.000000       26.27563 
1 1 1 -12 35 29 o 53.22668 24.27314 -23.73878      167.6950 0.000000       0.000000 -23.73878      167.6950 ?        ?        53.22668 24.27314 0.000000       24.27314 
1 1 1 -12 35 30 o 87.74561 26.70623 299.5703       149.7159 0.000000       0.000000 299.5703       149.7159 ?        ?        87.74561 26.70623 0.000000       26.70623 
1 1 1 -12 35 31 o 60.62260 25.21689 94.76443       148.0770 0.000000       0.000000 94.76443       148.0770 ?        ?        60.62260 25.21689 0.000000       25.21689 
1 1 1 -12 35 32 o 74.45097 27.07962 212.8121       153.0020 0.000000       0.000000 212.8121       153.0020 ?        ?        74.45097 27.07962 0.000000       27.07962 
1 1 1 -12 36 1  o 319.4190 10.96605 3049.947       205.1242 0.000000       0.000000 3049.947       205.1242 ?        ?        319.4190 10.96605 0.000000       10.96605 
1 1 1 -12 36 2  o 307.7899 9.374546 2817.832       169.0241 2863.626       341.3681 2802.958       194.5456 303.4780 19.27952 306.2430 10.84904 -2.765015      22.12243 
1 1 1 -12 36 3  o 186.9892 13.42498 1058.819       146.2449 0.000000       0.000000 1058.819       146.2449 ?        ?        186.9892 13.42498 0.000000       13.42498 
1 1 1 -12 36 4  o 324.1826 11.95719 3155.042       226.9471 3656.617       364.9604 2838.806       289.7897 343.9124 18.15889 304.4707 16.28810 39.44162       24.39359 
1 1 1 -12 36 5  o 396.5414 17.26284 4839.525       400.5064 4839.525       400.5064 0.000000       0.000000 396.5414 17.26284 ?        ?        0.000000       17.26284 
1 1 1 -12 36 6  o 183.0147 15.64270 1028.170       166.2908 0.000000       0.000000 1028.170       166.2908 ?        ?        183.0147 15.64270 0.000000       15.64270 
1 1 1 -12 36 7  o 266.8178 13.37976 2155.602       208.7015 2554.232       390.2214 1995.893       246.9955 281.1652 23.89060 254.5396 16.63680 26.62560       29.11261 
1 1 1 -12 36 8  o 161.2638 12.86210 789.0178       120.6390 578.5706       381.4200 812.4109       127.1674 120.4839 42.88975 163.4267 13.38508 -42.94284      44.92984 
1 1 1 -12 36 9  o 192.1751 11.58128 1112.650       129.9224 901.0400       394.4423 1138.402       137.6010 148.8685 42.86308 194.1370 12.14631 -45.26855      44.55083 
1 1 1 -12 36 10 o 108.2141 18.31181 372.6329       112.0749 -259.1396      385.1339 431.0826       117.1447 71.26959 33.87253 116.8686 17.64002 -45.59904      38.19056 
1 1 1 -12 36 11 o 207.6865 10.90327 1296.689       132.3401 422.1378       426.0889 1390.063       139.2258 106.9817 43.44605 214.9669 11.08067 -107.9852      44.83682 
1 1 1 -12 36 12 o 142.3449 14.49282 624.1628       119.3032 84.24134       444.2824 666.1212       123.8522 88.80350 40.10362 147.0649 14.55016 -58.26136      42.66155 
1 1 1 -12 36 13 o 165.4236 12.49275 832.1013       120.3052 -69.02538      442.1577 904.1462       125.0219 81.89475 38.08141 172.4956 12.44186 -90.60082      40.06238 
1 1 1 -12 36 14 o 107.2026 18.63332 369.5238       112.9010 851.5514       473.7733 340.5025       116.2501 134.2960 47.80159 102.0946 20.13086 32.20139       51.86756 
1 1 1 -12 36 15 o 62.19369 22.34610 114.5626       103.7871 744.8300       440.7690 77.56592       106.7898 127.0081 45.99559 56.89053 22.18551 70.11755       51.06653 
1 1 1 -12 36 16 o 40.90496 18.93361 -69.97398      107.4028 -8.221134      450.1917 -73.70084      110.5963 83.32066 38.63499 41.32798 19.15850 41.99268       43.12436 
1 1 1 -12 36 17 o 99.19413 19.01850 321.1577       106.6154 908.8930       471.5374 289.4927       109.4497 134.9562 47.72290 93.31178 20.55596 41.64439       51.96175 
1 1 1 -12 36 18 o 108.4265 17.60015 378.4214       108.0844 1756.251       484.9745 306.4087       110.8730 203.2823 42.06656 95.95691 20.33418 107.3254       46.72338 
1 1 1 -12 36 19 o 132.4415 16.53009 557.7092       125.6079 0.000000       0.000000 557.7092       125.6079 ?        ?        132.4415 16.53009 0.000000       16.53009 
1 1 1 -12 36 20 o 111.8547 19.52580 412.9225       123.4321 0.000000       0.000000 412.9225       123.4321 ?        ?        111.8547 19.52580 0.000000       19.52580 
1 1 1 -12 36 21 o 102.0623 20.61663 350.6529       119.1519 0.000000       0.000000 350.6529       119.1519 ?        ?        102.0623 20.61663 0.000000       20.61663 
1 1 1 -12 36 22 o 113.1399 18.97509 422.6158       121.4535 0.000000       0.000000 422.6158       121.4535 ?        ?        113.1399 18.97509 0.000000       18.97509 
1 1 1 -12 36 23 o 66.84564 23.87160 147.8520       118.2488 0.000000       0.000000 147.8520       118.2488 ?        ?        66.84564 23.87160 0.000000       23.87160 
1 1 1 -12 36 24 o 75.90052 24.78171 206.4349       126.8256 0.000000       0.000000 206.4349       126.8256 ?        ?        75.90052 24.78171 0.000000       24.78171 
1 1 1 -12 36 25 o 84.32949 25.35338 262.9367       135.5154 0.000000       0.000000 262.9367       135.5154 ?        ?        84.32949 25.35338 0.000000       25.35338 
1 1 1 -12 36 26 o 37.27094 18.20894 -199.0537      131.3420 0.000000       0.000000 -199.0537      131.3420 ?        ?        37.27094 18.20894 0.000000       18.20894 
1 1 1 -12 36 27 o 101.5874 23.68846 373.5440       138.5246 0.000000       0.000000 373.5440       138.5246 ?        ?        101.5874 23.68846 0.000000       23.68846 
1 1 1 -12 36 28 o 60.10504 27.63572 -11.62748      223.4031 0.000000       0.000000 -11.62748      223.4031 ?        ?        60.10504 27.63572 0.000000       27.63572 
1 1 1 -12 36 29 o 168.8487 17.45811 940.7209       170.3897 0.000000       0.000000 940.7209       170.3897 ?        ?        168.8487 17.45811 0.000000       17.45811 
1 1 1 -12 36 30 o 83.24041 27.98833 276.9912       161.4451 0.000000       0.000000 276.9912       161.4451 ?        ?        83.24041 27.98833 0.000000       27.98833 
1 1 1 -12 37 1  o 329.3222 9.733964 3237.632       187.7951 3865.723       393.3896 3052.251       213.7196 351.1287 19.17598 318.6617 11.45437 32.46695       22.33653 
1 1 1 -12 37 2  o 396.0838 11.61703 4717.339       269.5649 5601.580       438.4626 4180.032       341.7897 424.8759 17.63457 368.9200 15.83392 55.95587       23.70003 
1 1 1 -12 37 3  o 204.1297 13.38169 1266.897       159.3185 1579.847       308.4251 1153.003       186.0645 219.5487 24.36313 192.8591 16.61200 26.68964       29.48764 
1 1 1 -12 37 4  o 116.1957 20.98132 438.1639       137.7191 624.4288       305.4766 390.6476       154.2885 126.9534 38.04198 107.5625 24.94356 19.39084       45.49037 
1 1 1 -12 37 5  o 103.8727 20.10520 349.5863       118.0512 907.2840       327.8749 266.5206       126.5376 155.1928 36.61861 89.09147 23.77589 66.10131       43.66022 
1 1 1 -12 37 6  f 70.84734 23.36229 160.6454       112.5973 434.1420       330.6145 124.7610       119.7565 106.8834 39.64915 65.60836 23.94333 41.27505       46.31780 
1 1 1 -12 37 7  o 139.0195 14.81020 596.6476       118.8931 924.5428       331.3789 548.2032       127.3735 155.9530 36.82430 132.2631 16.79911 23.68991       40.47516 
1 1 1 -12 37 8  o 157.9857 12.95386 760.8485       118.9707 1439.491       343.4934 668.3397       126.8205 203.4407 29.66166 147.1010 14.90573 56.33975       33.19631 
1 1 1 -12 37 9  o 124.7212 25.61552 529.8173       181.0917 589.4606       361.5742 509.8467       209.2243 118.9827 41.81400 119.3342 29.94653 -0.3514938     51.43156 
1 1 1 -12 37 10 o 172.9275 11.93831 906.7025       120.3327 578.4922       397.0075 939.9052       126.2727 116.5159 43.40499 175.8936 12.31865 -59.37778      45.11921 
1 1 1 -12 37 11 o 39.12452 18.35538 -92.02615      106.5217 -1213.663      427.2427 -17.68118      109.9954 53.31247 27.01665 46.19225 20.46844 7.120220       33.89478 
1 1 1 -12 37 12 o 174.1242 13.33451 928.2111       135.1356 73.42064       429.1154 1022.315       142.3800 85.90941 39.04170 182.7563 13.37656 -96.84694      41.26968 
1 1 1 -12 37 13 o 197.2807 12.18661 1183.571       140.3113 871.2596       423.0818 1222.166       148.7285 137.3647 45.28546 200.1555 12.73605 -62.79080      47.04232 
1 1 1 -12 37 14 o 109.2669 18.75036 386.9189       115.8318 189.7526       412.0398 403.8375       120.6992 89.28842 39.58767 111.4583 19.15484 -22.16983      43.97831 
1 1 1 -12 37 15 o 67.89746 23.91101 147.0025       118.2802 -268.2378      432.2776 180.6068       122.9732 72.15643 34.71799 73.40958 24.42258 -1.253143      42.44763 
1 1 1 -12 37 16 o 74.24113 22.91205 187.4427       109.7141 -531.3426      423.8675 239.0583       113.5850 64.06203 31.57977 83.41013 22.64320 -19.34810      38.85867 
1 1 1 -12 37 17 o 158.1604 13.15344 771.8893       120.9045 1003.527       443.8323 753.3223       125.6567 140.9359 46.37892 155.7896 13.89879 -14.85370      48.41674 
1 1 1 -12 37 18 o 90.29957 21.92782 279.6248       114.9520 291.3773       468.7326 278.8728       118.5730 92.87018 41.62833 89.84365 22.54308 3.026527       47.34034 
1 1 1 -12 37 19 o 53.44978 22.51912 42.19745       120.3956 0.000000       0.000000 42.19745       120.3956 ?        ?        53.44978 22.51912 0.000000       22.51912 
1 1 1 -12 37 20 o 65.25873 23.76239 135.8694       117.8582 -30.49802      518.9006 144.9188       121.0212 81.38762 38.85887 66.79132 24.11317 14.59630       45.73244 
1 1 1 -12 37 21 o 158.3047 14.16782 785.4750       130.1477 0.000000       0.000000 785.4750       130.1477 ?        ?        158.3047 14.16782 0.000000       14.16782 
1 1 1 -12 37 22 o 85.36932 24.17879 263.1247       126.5273 0.000000       0.000000 263.1247       126.5273 ?        ?        85.36932 24.17879 0.000000       24.17879 
1 1 1 -12 37 23 o 81.63104 25.06639 244.5058       131.5170 0.000000       0.000000 244.5058       131.5170 ?        ?        81.63104 25.06639 0.000000       25.06639 
1 1 1 -12 37 24 o 87.01381 24.48320 278.0903       130.1722 0.000000       0.000000 278.0903       130.1722 ?        ?        87.01381 24.48320 0.000000       24.48320 
1 1 1 -12 37 25 o 71.60509 25.35281 183.3705       133.1152 0.000000       0.000000 183.3705       133.1152 ?        ?        71.60509 25.35281 0.000000       25.35281 
1 1 1 -12 37 26 o 75.67190 26.17749 213.9181       141.4050 0.000000       0.000000 213.9181       141.4050 ?        ?        75.67190 26.17749 0.000000       26.17749 
1 1 1 -12 37 27 o 116.5342 22.77671 485.7256       150.0840 0.000000       0.000000 485.7256       150.0840 ?        ?        116.5342 22.77671 0.000000       22.77671 
1 1 1 -12 37 28 o 74.51822 26.63073 209.7312       147.1901 0.000000       0.000000 209.7312       147.1901 ?        ?        74.51822 26.63073 0.000000       26.63073 
1 1 1 -12 37 29 o 100.5920 26.19781 391.6547       156.0594 0.000000       0.000000 391.6547       156.0594 ?        ?        100.5920 26.19781 0.000000       26.19781 
1 1 1 -12 38 1  o 192.1052 12.77868 1122.724       143.1528 555.4761       303.0528 1285.650       162.4151 118.1554 38.28843 205.1567 13.57498 -87.00131      40.62369 
1 1 1 -12 38 2  o 207.9790 11.85443 1308.845       143.9953 1168.131       302.5631 1350.049       163.7260 183.1243 29.14817 210.3816 13.33833 -27.25732      32.05506 
1 1 1 -12 38 3  o 235.1261 14.90331 1701.271       204.4530 1641.645       314.3277 1744.998       269.1754 222.3722 24.50788 234.0186 19.79815 -11.64639      31.50560 
1 1 1 -12 38 4  o 219.9594 16.02111 1501.006       205.2568 1248.744       313.0235 1691.287       271.8629 189.2633 29.13379 229.7604 20.38691 -40.49712      35.55846 
1 1 1 -12 38 5  o 85.53895 22.79189 246.3280       116.3947 18.18865       306.3013 284.8314       125.8340 74.81832 33.58494 91.76193 23.33327 -16.94361      40.89487 
1 1 1 -12 38 6  o 54.27715 22.12562 53.21806       111.0025 82.77221       313.9534 48.99575       118.6672 78.99399 34.81050 54.96858 22.69296 24.02541       41.55408 
1 1 1 -12 38 7  o 68.52566 23.25916 149.8572       111.5010 347.3761       319.1903 122.4044       118.9976 97.52673 38.26077 64.73285 23.82748 32.79388       45.07366 
1 1 1 -12 38 8  o 82.10719 22.06977 226.6731       108.5485 385.8460       326.0515 206.8322       115.1151 100.3866 38.87205 78.30785 23.32630 22.07880       45.33379 
1 1 1 -12 38 9  o 207.3220 11.16821 1299.581       135.2925 1090.664       349.0826 1336.508       146.7632 167.4291 36.57618 209.7829 11.97858 -42.35385      38.48771 
1 1 1 -12 38 10 o 133.9980 16.28815 565.6093       125.3772 281.2387       399.1428 596.7394       132.0615 93.80941 40.30793 137.4249 16.72985 -43.61549      43.64192 
1 1 1 -12 38 11 o 93.09037 31.00791 320.0262       198.2188 303.4815       417.5784 324.8384       225.2090 94.99085 41.02521 93.28260 32.98135 1.708252       52.63874 
1 1 1 -12 38 12 o 210.7316 11.49295 1348.795       141.5026 747.4246       427.3334 1422.854       149.9627 123.6318 45.21184 216.2061 11.87230 -92.57432      46.74464 
1 1 1 -12 38 13 o 91.04684 22.48702 284.2587       119.3551 196.8771       427.1455 291.6591       124.3065 88.47533 39.69229 91.92222 23.09127 -3.446892      45.92041 
1 1 1 -12 38 14 o 103.5319 20.19495 356.9528       118.2166 -533.4752      426.2120 431.1642       123.0443 63.91032 31.53563 114.8099 18.93332 -50.89954      36.78269 
1 1 1 -12 38 15 o 149.4284 14.75092 698.9545       127.5871 228.7427       428.0922 744.7931       133.6614 89.04639 39.85841 154.1418 14.97392 -65.09545      42.57830 
1 1 1 -12 38 16 o 105.5728 20.36027 373.3028       121.4939 468.9575       439.0435 365.3705       126.4311 101.0364 42.80679 103.7012 21.49491 -2.664803      47.90044 
1 1 1 -12 38 17 o 106.8015 19.42184 378.9499       117.1719 464.0512       451.5390 372.8057       121.3280 99.76038 42.86858 105.3072 20.38182 -5.546806      47.46719 
1 1 1 -12 38 18 o 124.5957 18.47387 509.0071       130.9102 1314.953       469.0934 440.9384       136.3264 159.0366 47.01661 113.9968 21.17007 45.03978       51.56291 
1 1 1 -12 38 19 o 65.07977 24.29682 134.0858       124.5332 228.9304       472.4413 127.0037       129.0989 87.27722 40.15079 64.40923 24.58312 22.86800       47.07883 
1 1 1 -12 38 20 o 57.51115 23.36463 78.80068       123.2854 744.8525       502.5459 36.14896       127.1715 110.1741 46.18747 53.25378 22.81466 56.92031       51.51497 
1 1 1 -12 38 21 o 44.71741 20.62313 -56.28550      125.7479 -316.2825      517.6602 -39.98148      129.6307 71.78053 35.28967 46.66052 21.30267 25.12001       41.22092 
1 1 1 -12 38 22 o 86.14024 24.68129 273.3018       131.0880 1323.379       528.7107 204.5215       135.3130 141.3830 50.47832 74.94674 25.61924 66.43623       56.60748 
1 1 1 -12 38 23 o 137.1652 18.16081 622.7976       142.5069 0.000000       0.000000 622.7976       142.5069 ?        ?        137.1652 18.16081 0.000000       18.16081 
1 1 1 -12 38 24 o 60.98697 24.59517 104.0869       135.4793 0.000000       0.000000 104.0869       135.4793 ?        ?        60.98697 24.59517 0.000000       24.59517 
1 1 1 -12 38 25 o 67.90385 25.57638 160.0692       138.6396 0.000000       0.000000 160.0692       138.6396 ?        ?        67.90385 25.57638 0.000000       25.57638 
1 1 1 -12 38 26 o 75.77567 26.53769 218.3207       145.5562 0.000000       0.000000 218.3207       145.5562 ?        ?        75.77567 26.53769 0.000000       26.53769 
1 1 1 -12 38 27 o 43.86470 20.86180 -116.3539      146.5837 0.000000       0.000000 -116.3539      146.5837 ?        ?        43.86470 20.86180 0.000000       20.86180 
1 1 1 -12 39 1  o 231.2867 11.86994 1623.703       160.4703 1025.700       333.0317 1804.529       183.1319 162.6447 35.87820 243.1246 12.88960 -80.47989      38.12331 
1 1 1 -12 39 2  o 194.5261 15.34682 1176.470       173.6669 981.4865       314.3854 1262.098       208.3390 160.5546 34.42163 199.4346 18.00602 -38.88002      38.84669 
1 1 1 -12 39 3  o 212.5429 18.26087 1436.246       225.4200 1724.727       328.3098 1178.950       310.0567 225.4237 25.26761 180.9631 30.28382 44.46056       39.44061 
1 1 1 -12 39 4  o 108.1897 21.98639 392.5153       134.7430 596.8487       314.1261 346.4419       149.1625 119.0057 39.01022 99.49512 25.46024 19.51060       46.58348 
1 1 1 -12 39 5  o 141.4907 15.89544 628.9431       129.6233 704.1664       307.1355 612.6408       142.9809 130.6858 37.88221 138.3335 18.05423 -7.647705      41.96447 
1 1 1 -12 39 6  o 149.1800 16.99336 705.6239       146.0282 0.000000       0.000000 705.6239       146.0282 ?        ?        149.1800 16.99336 0.000000       16.99336 
1 1 1 -12 39 7  o 171.9239 15.34788 923.7258       153.1260 0.000000       0.000000 923.7258       153.1260 ?        ?        171.9239 15.34788 0.000000       15.34788 
1 1 1 -12 39 8  o 129.3424 17.21738 534.6174       127.3637 1312.170       360.6401 423.8207       136.1358 184.2798 34.64053 112.4775 21.41950 71.80231       40.72790 
1 1 1 -12 39 9  o 168.3712 13.83827 877.7177       135.4421 855.3039       387.8211 880.8312       144.5435 135.0515 43.27320 168.0287 14.81951 -32.97716      45.74044 
1 1 1 -12 39 10 o 90.76986 23.06915 285.1977       123.0457 552.1063       395.3489 256.5703       129.4763 108.6513 42.59435 85.42392 24.54584 23.22739       49.16072 
1 1 1 -12 39 11 o 65.75083 24.14907 134.2360       122.1220 157.3546       417.0589 132.0679       127.7202 85.52444 38.71660 65.83402 24.60027 19.69041       45.87100 
1 1 1 -12 39 12 o 44.40200 20.35421 -53.89966      119.9453 -169.9694      431.0690 -44.15898      124.8768 73.63423 35.22787 46.13754 21.00389 27.49670       41.01422 
1 1 1 -12 39 13 o 48.08030 21.24863 -5.890529      117.7786 481.8439       437.3556 -44.02716      122.2965 101.5978 42.86870 45.57452 20.76237 56.02328       47.63193 
1 1 1 -12 39 14 o 83.64462 23.67436 246.8224       121.3446 -198.5783      432.1878 284.9384       126.4302 72.08833 34.69267 89.86445 23.66614 -17.77612      41.99604 
1 1 1 -12 39 15 o 85.05759 23.34778 255.3646       119.9888 86.48316       412.9885 270.9346       125.3980 80.48077 37.20817 87.35494 23.82379 -6.874168      44.18168 
1 1 1 -12 39 16 o 76.09074 23.84942 204.6534       118.3699 314.2898       380.8966 192.9333       124.5361 89.66894 38.95255 74.05752 24.57545 15.61142       46.05707 
1 1 1 -12 39 17 o 139.6439 16.11959 625.2079       129.5957 -85.08064      384.9845 715.9819       137.6279 71.35824 33.90068 149.6757 15.92260 -78.31742      37.45378 
1 1 1 -12 39 18 o 96.17504 23.67001 331.2766       132.5912 535.6902       419.2418 308.5581       139.7652 100.9068 42.23629 91.65345 25.21447 9.253380       49.19018 
1 1 1 -12 39 19 o 55.23579 23.64909 45.59814       136.4885 60.78165       474.3926 44.22784       142.5145 79.51707 37.73484 55.87547 24.04797 23.64160       44.74620 
1 1 1 -12 39 20 o 75.37926 25.78223 207.7101       137.0446 -154.5899      483.6862 239.3335       142.9004 73.34875 35.63433 79.98235 26.31630 -6.633606      44.29846 
1 1 1 -12 39 21 o 75.43420 26.03395 209.5594       139.8262 417.5342       459.9684 188.3835       146.7722 91.73922 41.17025 72.47612 26.49785 19.26310       48.96045 
1 1 1 -12 39 22 o 63.19161 25.11207 120.3560       139.1137 352.4733       428.3434 92.98619       147.0869 87.78412 39.53427 60.76715 25.19222 27.01696       46.87864 
1 1 1 -12 39 23 o 73.19667 25.93995 198.3322       139.3790 345.3293       431.1914 181.1812       147.2858 86.59560 39.26753 70.90773 26.43308 15.68787       47.33547 
1 1 1 -12 39 24 o 76.32916 26.39012 221.7434       143.7033 55.47777       411.0958 244.8881       153.3795 74.37791 35.24670 79.32006 27.27090 -4.942154      44.56491 
1 1 1 -12 39 25 o 71.80608 27.33516 189.2357       159.3586 0.000000       0.000000 189.2357       159.3586 ?        ?        71.80608 27.33516 0.000000       27.33516 
1 1 1 -12 40 1  o 104.3997 23.49065 376.4122       140.3405 123.9117       320.7530 436.1945       156.0723 79.40128 35.07932 111.9225 24.46167 -32.52118      42.76601 
1 1 1 -12 40 2  o 214.6259 14.10638 1426.588       176.5769 0.000000       0.000000 1426.588       176.5769 ?        ?        214.6259 14.10638 0.000000       14.10638 
1 1 1 -12 40 3  o 152.1534 16.31916 733.0203       143.3503 573.2383       321.1906 772.7643       160.1896 113.8818 39.44985 155.1045 17.94037 -41.22272      43.33760 
1 1 1 -12 40 4  o 206.9584 19.82988 1395.825       237.7467 1915.647       345.3237 927.3970       327.8088 235.4805 25.40633 149.7455 37.43145 85.73500       45.23932 
1 1 1 -12 40 5  o 249.0179 11.39420 1885.165       165.9634 1833.901       335.6594 1901.753       190.9356 230.4682 25.24611 248.6719 13.13873 -18.20377      28.46037 
1 1 1 -12 40 6  o 143.4552 18.55374 667.2333       152.4459 0.000000       0.000000 667.2333       152.4459 ?        ?        143.4552 18.55374 0.000000       18.55374 
1 1 1 -12 40 7  o 87.29699 24.43594 269.2685       130.0243 939.9743       312.9286 129.3099       142.9483 152.5950 35.61834 66.51788 25.74363 86.07710       43.94770 
1 1 1 -12 40 8  o 147.9943 16.13464 695.1646       137.7757 731.2358       348.5110 688.4831       149.9941 125.4490 41.08798 146.0451 17.88486 -20.59612      44.81172 
1 1 1 -12 40 9  o 74.51937 25.23080 192.2928       131.1997 221.1205       375.8932 188.2937       140.0046 86.08817 38.00687 74.06477 26.01996 12.02339       46.06040 
1 1 1 -12 40 10 o 108.5021 20.93822 397.7252       128.4113 504.8789       385.0309 384.3150       136.2098 103.2874 41.53014 105.4176 22.70310 -2.130249      47.33057 
1 1 1 -12 40 11 o 79.59404 24.77914 225.4587       128.0056 -737.1720      373.9255 353.2438       136.2370 54.29428 27.22371 100.2235 23.57520 -45.92927      36.01278 
1 1 1 -12 40 12 o 125.1048 19.14566 517.6243       136.0123 666.2906       405.5747 498.7861       144.3728 112.6333 43.42363 121.3974 21.04007 -8.764076      48.25242 
1 1 1 -12 40 13 o 143.9341 16.22613 663.4082       134.5869 219.9796       394.5676 721.7938       143.1734 84.86761 38.10522 149.9361 16.55738 -65.06850      41.54702 
1 1 1 -12 40 14 o 154.4580 14.89918 754.5995       133.2927 1113.794       380.6692 704.4053       142.3014 153.9005 41.31289 147.8426 16.70411 6.057861       44.56211 
1 1 1 -12 40 15 o 89.33450 23.35033 285.3193       123.6824 0.000000       0.000000 285.3193       123.6824 ?        ?        89.33450 23.35033 0.000000       23.35033 
1 1 1 -12 40 16 o 56.91314 23.39812 73.46948       125.4647 54.84087       383.1680 75.70665       132.7849 75.63886 35.26554 58.00418 23.98119 17.63469       42.64688 
1 1 1 -12 40 17 o 141.7709 16.35073 649.6104       133.4610 698.2963       434.8549 644.5477       140.2286 108.8069 43.99844 140.3750 17.40586 -31.56808      47.31624 
1 1 1 -12 40 18 o 168.2128 14.54254 896.3635       142.0586 765.8828       449.1449 910.8674       149.7460 111.5554 44.85471 168.9353 15.27919 -57.37988      47.38564 
1 1 1 -12 40 19 o 91.03487 26.50025 316.5667       150.0138 0.000000       0.000000 316.5667       150.0138 ?        ?        91.03487 26.50025 0.000000       26.50025 
1 1 1 -12 40 20 o 155.2371 16.77144 786.6204       150.2708 976.2574       363.9308 747.6428       164.9928 137.3534 41.60348 148.9103 19.34966 -11.55688      45.88310 
1 1 1 -12 40 21 o 97.26160 25.16336 355.8701       144.6168 127.9965       314.5292 416.9581       162.8516 73.70260 33.46705 104.2027 26.57001 -30.50006      42.73182 
1 1 1 -12 40 22 o 118.8657 22.48139 503.3750       150.9826 550.8560       297.5739 486.9144       175.2101 104.0264 37.77567 112.4067 26.93103 -8.380219      46.39269 
1 1 1 -12 40 23 f 77.90276 27.53161 236.6671       156.9185 621.0464       313.5356 108.2119       181.2519 108.5259 38.85794 64.45003 27.41290 44.07586       47.55425 
1 1 1 -12 40 24 o 133.0989 23.98174 649.1770       180.3154 86.84415       380.7118 811.8013       204.7351 73.27895 34.48001 148.6869 24.31830 -75.40798      42.19302 
1 1 1 -12 41 1  o 94.44510 32.67796 353.4423       220.3571 39.63734       335.1567 592.3766       292.4538 74.68690 34.15697 116.2581 37.60801 -41.57118      50.80415 
1 1 1 -12 41 2  o 144.2173 18.03639 674.1356       149.2255 511.8318       347.2697 710.8923       165.2614 105.1087 40.26888 146.8614 19.68235 -41.75269      44.82162 
1 1 1 -12 41 3  o 58.83738 24.88538 58.58465       147.9566 0.000000       0.000000 58.58465       147.9566 ?        ?        58.83738 24.88538 0.000000       24.88538 
1 1 1 -12 41 4  o 155.3560 18.07021 782.5377       161.5734 492.4149       341.8086 866.0180       183.3514 103.3328 39.85722 162.1156 19.68760 -58.78277      44.45446 
1 1 1 -12 41 5  o 54.43805 24.09496 5.486602       152.0034 0.000000       0.000000 5.486602       152.0034 ?        ?        54.43805 24.09496 0.000000       24.09496 
1 1 1 -12 41 6  o 121.0161 20.90169 494.2464       142.9838 385.5585       346.6816 516.5240       156.9548 94.56255 38.88729 122.3756 22.70479 -27.81301      45.03031 
1 1 1 -12 41 7  o 55.05409 23.45235 42.87827       133.0159 -25.11785      335.4363 55.56564       144.8951 70.97308 33.05868 57.89231 24.56229 13.08077       41.18474 
1 1 1 -12 41 8  o 103.3817 22.78677 373.4417       134.4302 745.4557       325.6649 297.0338       147.5912 126.6576 39.53804 89.68584 26.33524 36.97177       47.50581 
1 1 1 -12 41 9  o 91.27747 24.37504 300.2156       132.9420 655.4725       340.2011 236.1889       144.4259 115.7251 40.56785 80.33999 26.45747 35.38514       48.43293 
1 1 1 -12 41 10 o 90.28311 24.29639 294.1947       131.4607 464.1295       357.9310 267.6971       141.3388 98.56972 39.89640 85.19339 25.95211 13.37633       47.59449 
1 1 1 -12 41 11 o 86.12948 25.04221 271.4041       134.0324 -343.4945      357.3117 372.0948       144.5906 61.01971 29.85876 101.4752 24.56236 -40.45551      38.66335 
1 1 1 -12 41 12 f 123.9888 20.21144 519.7736       141.9124 491.6331       373.1514 524.5319       153.4421 98.96918 40.48209 123.0507 22.07327 -24.08147      46.10888 
1 1 1 -12 41 13 o 89.52668 24.35688 292.6672       131.2589 -117.9530      366.8230 352.9631       140.5660 68.15141 32.57549 98.46357 24.45320 -30.31216      40.73231 
1 1 1 -12 41 14 o 70.62748 25.11714 175.2667       130.7787 370.6503       396.1709 151.3718       138.5450 90.38084 39.48632 67.55270 25.54031 22.82814       47.02634 
1 1 1 -12 41 15 o 120.3075 19.89866 490.5810       135.4962 596.8901       431.7609 478.9675       142.7054 102.1019 42.80787 117.5751 21.48697 -15.47312      47.89785 
1 1 1 -12 41 16 f 102.7486 24.05867 383.9771       142.4081 479.3988       448.3271 373.2688       150.1862 94.58550 41.64293 99.99081 25.52648 -5.405312      48.84398 
1 1 1 -12 41 17 o 150.5785 17.90852 749.8355       155.0568 430.4989       425.2383 798.8051       166.5218 91.57426 40.42696 154.6555 18.74118 -63.08119      44.55975 
1 1 1 -12 41 18 o 138.2973 20.27905 655.0490       159.5951 935.0438       391.9968 599.4161       174.7324 127.8527 43.60745 128.6090 24.04996 -0.7562408     49.79970 
1 1 1 -12 41 19 o 145.1775 18.62802 706.7356       154.9545 810.6573       354.4956 682.1895       172.2853 121.8368 41.47078 139.5975 21.75220 -17.76080      46.82931 
1 1 1 -12 41 20 o 53.90019 23.77072 24.98405       146.6624 420.8740       296.5722 -103.1746      168.7397 92.54678 36.70192 48.16385 22.75175 44.38292       43.18186 
1 1 1 -12 41 21 f 59.85606 25.22645 85.91814       151.1641 266.8720       265.0308 -1.333157      184.0341 80.30687 33.59546 56.19340 25.54913 24.11347       42.20679 
1 1 1 -12 42 1  f 75.20800 31.92878 162.9211       245.0981 125.9953       337.3842 204.1869       356.6606 77.66446 35.02187 82.55927 36.70493 -4.894806      50.73247 
1 1 1 -12 42 2  o 104.2044 24.62575 390.8203       148.0965 411.1030       358.0513 386.6342       162.6628 94.97742 39.33379 101.8037 26.85987 -6.826248      47.62981 
1 1 1 -12 42 3  o 96.92698 25.86686 346.3228       149.7734 206.7375       352.7899 377.0121       165.4207 82.37753 36.57143 99.98074 27.40176 -17.60321      45.69820 
1 1 1 -12 42 4  o 61.75556 25.31932 94.39154       146.3976 70.75086       339.9531 99.77390       162.2092 74.79267 34.27849 63.79643 26.45249 10.99624       43.29837 
1 1 1 -12 42 5  o 89.89259 27.07524 304.9278       154.4445 126.8562       380.5860 340.0338       168.9841 79.17253 36.27965 93.96510 28.32527 -14.79257      46.02754 
1 1 1 -12 42 6  o 135.3539 20.15319 616.7645       155.1084 709.2379       348.9330 593.9919       173.1570 118.3696 41.11210 129.8106 23.61430 -11.44099      47.41139 
1 1 1 -12 42 7  o 126.9190 20.46799 546.0901       147.1720 1214.865       338.5627 390.2747       163.4197 170.9375 34.95201 101.7236 26.96149 69.21388       44.14255 
1 1 1 -12 42 8  o 78.89822 25.95115 229.6483       138.9667 791.4662       338.6797 115.9105       152.3855 126.8156 40.41800 64.32283 26.03297 62.49278       48.07630 
1 1 1 -12 42 9  o 105.9762 23.33954 400.2028       141.1323 -32.36049      346.0381 486.5141       154.5727 69.91863 32.89062 117.1967 23.30950 -47.27808      40.31285 
1 1 1 -12 42 10 o 57.58529 24.07044 69.66764       135.8845 718.2668       361.9041 -36.77740      146.6115 116.4213 41.74033 49.61374 22.65250 66.80756       47.49096 
1 1 1 -12 42 11 o 86.73121 25.31924 280.0292       136.7685 335.5795       370.3967 271.2595       147.1689 88.11347 38.34290 84.60223 26.60357 3.511246       46.66828 
1 1 1 -12 42 12 o 105.6118 23.61894 401.4301       142.6207 60.20692       385.7468 455.4602       153.4974 75.18507 35.16233 112.3533 24.02282 -37.16823      42.58504 
1 1 1 -12 42 13 o 89.61085 25.85363 303.8684       143.3662 -100.8193      389.0878 367.4437       154.2168 69.24319 33.21778 98.42210 26.23957 -29.17892      42.33127 
1 1 1 -12 42 14 o 117.0713 22.91484 488.5657       151.6975 395.1819       394.3592 504.7834       164.3428 89.87275 39.32711 117.4043 24.65407 -27.53152      46.41600 
1 1 1 -12 42 15 o 166.6847 17.37929 913.8440       167.4015 683.2614       422.5545 956.7704       182.3190 105.3075 43.07713 169.1970 18.68420 -63.88946      46.95464 
1 1 1 -12 42 16 o 79.00061 27.32523 241.6064       154.0743 -26.48217      391.0590 290.8688       167.6336 70.95944 33.83950 85.19461 28.51829 -14.23517      44.25387 
1 1 1 -12 42 17 o 97.76465 29.36478 391.2375       181.8537 568.5478       350.6912 326.0217       212.6839 101.3999 40.00546 87.12198 31.89029 14.27796       51.16080 
1 1 1 -12 42 18 o 66.27396 27.20838 135.3457       169.3478 206.6977       331.0987 110.0667       197.0765 77.90969 34.94962 65.75838 28.29004 12.15131       44.96445 
1 1 1 -12 42 19 o 71.26395 26.09221 188.5004       142.3907 311.6325       331.2313 160.5874       157.7064 83.16637 36.22370 68.10830 26.84094 15.05807       45.08428 
1 1 1 -12 43 1  o 115.9557 23.03063 474.6293       151.0969 -115.2239      315.0124 650.8868       172.1985 64.40854 30.61809 137.0240 22.18597 -72.61548      37.81116 
1 1 1 -12 43 2  o 174.7482 16.62993 986.2600       168.3809 1097.299       359.2362 954.9963       190.6169 153.9012 39.57911 169.0257 19.59147 -15.12454      44.16256 
1 1 1 -12 43 3  o 169.5750 16.53489 928.4418       162.3560 1496.988       345.2795 767.0502       183.9621 195.4239 31.17267 149.3777 21.62722 46.04617       37.94037 
1 1 1 -12 43 4  o 141.0564 20.02313 671.4414       160.9951 539.6842       350.1039 706.7745       181.3014 102.4842 40.11065 142.5059 22.43372 -40.02168      45.95797 
1 1 1 -12 43 5  o 121.4138 22.80600 518.9238       156.4318 274.6977       350.7873 579.5485       174.7724 84.51704 37.03443 127.0190 24.34720 -42.50192      44.32082 
1 1 1 -12 43 6  o 116.7477 24.81599 496.1616       164.6744 1340.656       364.6103 279.7560       184.5716 176.0407 36.51402 84.07755 29.84522 91.96320       47.15942 
1 1 1 -12 43 7  o 121.5422 23.64309 528.2087       162.4633 464.4636       377.7232 542.6781       179.9598 95.28454 40.00033 120.7807 26.16355 -25.49613      47.79705 
1 1 1 -12 43 8  o 60.06110 25.29512 80.10683       151.8178 876.2761       376.7762 -74.21472      165.8800 126.9598 42.75727 49.80043 23.21366 77.15935       48.65242 
1 1 1 -12 43 9  o 60.53869 25.45218 84.51073       153.2891 -156.3407      361.9080 137.1664       169.2177 65.60139 31.61528 67.10197 27.33145 -1.500580      41.79156 
1 1 1 -12 43 10 o 173.3811 16.21472 973.3489       162.9651 720.7906       377.2151 1031.304       180.6983 112.3906 42.21906 177.0048 17.64145 -64.61421      45.75664 
1 1 1 -12 43 11 o 72.43195 26.81700 191.4208       151.1095 47.66465       376.3371 219.0526       164.9942 73.20335 34.39332 76.02341 28.04431 -2.820061      44.37774 
1 1 1 -12 43 12 o 92.97287 26.11946 331.3625       148.2728 82.23116       380.6748 375.9178       160.9865 74.57676 34.89492 98.32080 27.06595 -23.74404      44.16131 
1 1 1 -12 43 13 o 81.73351 26.72216 258.7023       147.4409 921.2183       370.4753 134.0210       160.7169 129.6922 42.35594 65.84715 26.70413 63.84509       50.07131 
1 1 1 -12 43 14 o 87.27637 26.95142 298.1689       151.7816 -350.2601      346.1443 452.5246       168.8835 58.20786 28.66385 108.4544 26.72662 -50.24656      39.19092 
1 1 1 -12 43 15 o 99.55807 27.03859 388.0606       161.9206 -174.6952      349.8140 541.5110       182.6674 63.25294 30.62927 118.6825 26.87089 -55.42953      40.74552 
1 1 1 -12 43 16 o 108.0875 27.91168 464.8694       178.1579 154.2816       351.8742 571.9354       206.5956 75.35016 34.65914 118.0888 29.82700 -42.73866      45.72642 
1 1 1 -12 44 1  o 78.49345 26.58597 233.4846       145.6726 69.39993       321.1651 275.9856       163.4534 71.72164 33.03440 83.82140 28.16170 -12.09975      43.40914 
1 1 1 -12 44 2  o 160.7345 18.04351 855.0598       167.1574 516.9130       332.3856 969.5318       193.3924 99.81646 39.07780 169.2801 19.85677 -69.46363      43.83339 
1 1 1 -12 44 3  o 51.25298 23.29782 -22.33924      152.9265 411.5449       339.8766 -132.4780      171.2397 91.63029 38.16666 47.19638 22.47512 44.43390       44.29249 
1 1 1 -12 44 4  o 87.65623 27.73141 302.0806       159.6858 420.0792       410.5005 281.0409       173.3386 90.95474 39.95271 83.92587 28.98536 7.028877       49.35960 
1 1 1 -12 44 5  o 80.95136 28.22507 256.5384       164.5471 616.5074       394.0449 180.5107       181.0920 103.1136 41.81519 71.95446 28.63286 31.15915       50.67890 
1 1 1 -12 44 6  o 104.2327 28.42814 430.9340       178.5474 844.2236       434.9878 347.1934       195.8023 115.3322 44.83237 91.00013 30.82282 24.33211       54.40577 
1 1 1 -12 44 7  o 59.66353 26.33894 46.66895       180.4958 210.4414       406.5825 6.470965       201.4329 80.65487 37.15608 58.96726 26.77858 21.68761       45.80029 
1 1 1 -12 44 8  o 80.86510 28.67082 258.7540       170.2875 -106.9271      442.8166 322.2170       184.4731 71.13218 34.44860 88.41361 29.91801 -17.28143      45.62668 
1 1 1 -12 44 9  o 87.69571 28.68384 310.0596       169.8743 449.1913       404.3977 280.2486       187.1907 91.80585 40.00528 82.94048 29.98309 8.865379       49.99408 
1 1 1 -12 44 10 o 75.80369 27.56570 219.3958       158.5322 881.9092       391.4987 89.45402       173.3834 122.4590 43.46706 62.36722 26.67732 60.09180       51.00064 
1 1 1 -12 44 11 o 52.52060 23.95894 -19.99213      163.5525 426.9255       365.9125 -131.5704      182.8325 90.47500 38.72889 48.59796 23.16521 41.87704       45.12819 
1 1 1 -12 44 12 o 57.50271 25.26560 46.33032       164.2687 -262.3912      355.6917 130.0278       185.2023 60.85378 29.78040 66.46219 27.96153 -5.608406      40.84996 
1 1 1 -12 45 1  o 50.76816 24.83957 -280.4479      247.0735 -320.7094      331.4923 -230.1269      370.5984 57.77902 28.37275 63.27584 30.84205 -5.496819      41.90758 
1 1 1 -12 45 2  o 60.71493 26.37883 69.23074       174.7364 -26.75275      373.1610 96.18756       197.7572 69.78667 33.21721 64.80975 28.11096 4.976921       43.51562 
1 1 1 -12 45 3  o 68.89146 27.74438 158.8942       172.1335 -211.9971      392.2872 247.3342       191.5601 65.07276 31.72097 78.77699 29.97446 -13.70423      43.64273 
1 1 1 -12 45 4  o 57.36147 25.18110 44.43550       162.8414 935.6360       441.2476 -96.08044      175.2094 119.2171 45.46118 49.40685 23.29166 69.81021       51.08053 
1 1 1 -12 45 5  o 55.05539 25.06908 -8.579858      178.0137 249.3236       441.7598 -58.57697      194.5047 81.78739 38.04259 53.92651 25.13694 27.86088       45.59720 
1 1 1 -11 0  1  o 694.1259 16.89634 14189.46       686.9097 14189.46       686.9097 14189.46       686.9097 694.1259 16.89634 694.1259 16.89634 0.000000       0.000000 
1 1 1 -11 0  2  o 1236.443 28.48566 45220.73       2063.147 45220.73       2063.147 45220.73       2063.147 1236.443 28.48566 1236.443 28.48566 0.000000       0.000000 
1 1 1 -11 0  3  o 339.2755 16.21926 3405.994       321.0382 3405.994       321.0382 3405.994       321.0382 339.2755 16.21926 339.2755 16.21926 0.000000       0.000000 
1 1 1 -11 0  4  o 53.79099 27.34745 125.1831       108.0163 125.1831       108.0163 125.1831       108.0163 53.79099 27.34745 53.79099 27.34745 0.000000       0.000000 
1 1 1 -11 0  5  o 808.6714 19.16709 19262.50       907.8776 19262.50       907.8776 19262.50       907.8776 808.6714 19.16709 808.6714 19.16709 0.000000       0.000000 
1 1 1 -11 0  6  f 27.81212 19.04864 -65.54755      98.89368 -65.54755      98.89368 -65.54755      98.89368 27.81212 19.04864 27.81212 19.04864 0.000000       0.000000 
1 1 1 -11 0  7  o 297.7676 10.98034 2612.628       191.1611 2612.628       191.1611 2612.628       191.1611 297.7676 10.98034 297.7676 10.98034 0.000000       0.000000 
1 1 1 -11 0  8  o 174.3479 12.23441 905.2352       123.6574 905.2352       123.6574 905.2352       123.6574 174.3479 12.23441 174.3479 12.23441 0.000000       0.000000 
1 1 1 -11 0  9  o 129.3727 14.80276 510.3207       108.5110 510.3207       108.5110 510.3207       108.5110 129.3727 14.80276 129.3727 14.80276 0.000000       0.000000 
1 1 1 -11 0  10 o 165.7727 12.23170 819.5236       117.3974 819.5236       117.3974 819.5236       117.3974 165.7727 12.23170 165.7727 12.23170 0.000000       0.000000 
1 1 1 -11 0  11 o 629.8737 15.48441 11668.81       571.2224 11668.81       571.2224 11668.81       571.2224 629.8737 15.48441 629.8737 15.48441 0.000000       0.000000 
1 1 1 -11 0  12 o 652.2435 15.96595 12513.11       609.9115 12513.11       609.9115 12513.11       609.9115 652.2435 15.96595 652.2435 15.96595 0.000000       0.000000 
1 1 1 -11 0  13 o 895.0006 20.97838 23580.27       1099.782 23580.27       1099.782 23580.27       1099.782 895.0006 20.97838 895.0006 20.97838 0.000000       0.000000 
1 1 1 -11 0  14 o 1089.890 25.21381 35005.37       1609.706 35005.37       1609.706 35005.37       1609.706 1089.890 25.21381 1089.890 25.21381 0.000000       0.000000 
1 1 1 -11 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  19 o 788.6804 18.78162 18319.16       867.6169 18319.16       867.6169 18319.16       867.6169 788.6804 18.78162 788.6804 18.78162 0.000000       0.000000 
1 1 1 -11 0  20 o 493.1437 13.02360 7156.686       376.0710 7156.686       376.0710 7156.686       376.0710 493.1437 13.02360 493.1437 13.02360 0.000000       0.000000 
1 1 1 -11 0  21 o 71.90462 26.58653 203.9797       103.9078 203.9797       103.9078 203.9797       103.9078 71.90462 26.58653 71.90462 26.58653 0.000000       0.000000 
1 1 1 -11 0  22 o 133.1580 13.95323 537.9578       105.9726 537.9578       105.9726 537.9578       105.9726 133.1580 13.95323 133.1580 13.95323 0.000000       0.000000 
1 1 1 -11 0  23 o 133.7451 12.84618 540.0062       98.49128 540.0062       98.49128 540.0062       98.49128 133.7451 12.84618 133.7451 12.84618 0.000000       0.000000 
1 1 1 -11 0  24 o 41.96865 22.63220 73.96734       77.32922 73.96734       77.32922 73.96734       77.32922 41.96865 22.63220 41.96865 22.63220 0.000000       0.000000 
1 1 1 -11 0  25 o 515.8363 13.19602 7841.920       398.6232 7841.920       398.6232 7841.920       398.6232 515.8363 13.19602 515.8363 13.19602 0.000000       0.000000 
1 1 1 -11 0  26 o 414.9636 11.53286 5074.278       280.1808 5074.278       280.1808 5074.278       280.1808 414.9636 11.53286 414.9636 11.53286 0.000000       0.000000 
1 1 1 -11 0  27 o 403.2299 11.35931 4792.570       268.1484 4792.570       268.1484 4792.570       268.1484 403.2299 11.35931 403.2299 11.35931 0.000000       0.000000 
1 1 1 -11 0  28 o 341.0663 10.50296 3429.876       209.6365 3429.876       209.6365 3429.876       209.6365 341.0663 10.50296 341.0663 10.50296 0.000000       0.000000 
1 1 1 -11 0  29 o 155.2445 11.92306 721.6552       107.0453 721.6552       107.0453 721.6552       107.0453 155.2445 11.92306 155.2445 11.92306 0.000000       0.000000 
1 1 1 -11 0  30 o 285.7357 10.30862 2410.115       172.2382 2410.115       172.2382 2410.115       172.2382 285.7357 10.30862 285.7357 10.30862 0.000000       0.000000 
1 1 1 -11 0  31 o 434.2944 10.00718 5554.016       254.5806 5554.016       254.5806 5554.016       254.5806 434.2944 10.00718 434.2944 10.00718 0.000000       0.000000 
1 1 1 -11 0  32 o 178.3059 11.42491 946.8220       118.3335 946.8220       118.3335 946.8220       118.3335 178.3059 11.42491 178.3059 11.42491 0.000000       0.000000 
1 1 1 -11 0  33 o 371.4206 9.703349 4063.945       211.0414 4063.945       211.0414 4063.945       211.0414 371.4206 9.703349 371.4206 9.703349 0.000000       0.000000 
1 1 1 -11 0  34 o 156.8204 12.67215 738.5891       114.7413 738.5891       114.7413 738.5891       114.7413 156.8204 12.67215 156.8204 12.67215 0.000000       0.000000 
1 1 1 -11 0  35 o 34.17775 22.32173 -10.38892      109.7268 -10.38892      109.7268 -10.38892      109.7268 34.17775 22.32173 34.17775 22.32173 0.000000       0.000000 
1 1 1 -11 0  36 o 128.1507 17.51974 513.0734       124.7055 513.0734       124.7055 513.0734       124.7055 128.1507 17.51974 128.1507 17.51974 0.000000       0.000000 
1 1 1 -11 0  37 o 201.4035 12.58881 1211.360       147.3499 1211.360       147.3499 1211.360       147.3499 201.4035 12.58881 201.4035 12.58881 0.000000       0.000000 
1 1 1 -11 0  38 o 144.0653 17.28826 642.4333       140.5066 642.4333       140.5066 642.4333       140.5066 144.0653 17.28826 144.0653 17.28826 0.000000       0.000000 
1 1 1 -11 0  39 o 257.3695 10.96974 1965.778       164.8926 1965.778       164.8926 1965.778       164.8926 257.3695 10.96974 257.3695 10.96974 0.000000       0.000000 
1 1 1 -11 0  40 o 129.7330 16.79140 526.3478       121.8698 526.3478       121.8698 526.3478       121.8698 129.7330 16.79140 129.7330 16.79140 0.000000       0.000000 
1 1 1 -11 0  41 o 523.6143 11.86414 8145.979       363.9106 8145.979       363.9106 8145.979       363.9106 523.6143 11.86414 523.6143 11.86414 0.000000       0.000000 
1 1 1 -11 0  42 o 127.1110 17.60095 512.9208       124.0419 512.9208       124.0419 512.9208       124.0419 127.1110 17.60095 127.1110 17.60095 0.000000       0.000000 
1 1 1 -11 0  43 o 207.1592 11.75924 1288.864       141.8064 1288.864       141.8064 1288.864       141.8064 207.1592 11.75924 207.1592 11.75924 0.000000       0.000000 
1 1 1 -11 0  44 o 71.43237 29.77951 226.5734       124.6457 226.5734       124.6457 226.5734       124.6457 71.43237 29.77951 71.43237 29.77951 0.000000       0.000000 
1 1 1 -11 0  45 o 99.46489 24.82844 357.0538       125.3046 357.0538       125.3046 357.0538       125.3046 99.46489 24.82844 99.46489 24.82844 0.000000       0.000000 
1 1 1 -11 0  46 o 46.99154 28.28108 88.30819       141.1188 88.30819       141.1188 88.30819       141.1188 46.99154 28.28108 46.99154 28.28108 0.000000       0.000000 
1 1 1 -11 0  47 f 31.19884 21.70552 -102.7976      141.2872 -102.7976      141.2872 -102.7976      141.2872 31.19884 21.70552 31.19884 21.70552 0.000000       0.000000 
1 1 1 -11 0  48 o 71.96535 37.94085 286.2593       213.1095 286.2593       213.1095 286.2593       213.1095 71.96535 37.94085 71.96535 37.94085 0.000000       0.000000 
1 1 1 -11 0  49 o 26.66585 19.32631 -290.7455      163.1870 -290.7455      163.1870 -290.7455      163.1870 26.66585 19.32631 26.66585 19.32631 0.000000       0.000000 
1 1 1 -11 0  50 o 34.49704 24.32283 -169.7474      195.5676 -169.7474      195.5676 -169.7474      195.5676 34.49704 24.32283 34.49704 24.32283 0.000000       0.000000 
1 1 1 -11 1  1  o 623.5308 10.94487 11424.88       400.2386 11936.07       584.1707 10972.63       549.4678 636.6285 15.64599 610.2509 15.36487 26.37762       21.92889 
1 1 1 -11 1  2  o 361.6899 11.65400 3849.157       246.8849 3838.177       348.9164 3860.166       349.3800 360.5546 16.54470 361.5919 16.51876 -1.037292      23.37941 
1 1 1 -11 1  3  o 337.0342 7.910994 3334.475       156.3708 3404.023       222.8877 3267.063       219.4360 340.1687 11.18748 333.2422 11.24397 6.926514       15.86149 
1 1 1 -11 1  4  o 848.2531 14.11651 21167.30       702.2686 21401.26       1001.916 20941.34       984.6255 851.5379 20.06212 842.3738 19.93039 9.164124       28.27912 
1 1 1 -11 1  5  o 282.5576 7.614897 2344.938       126.0740 2384.604       177.4903 2304.543       179.1118 284.7230 10.64799 279.8718 10.93329 4.851196       15.26160 
1 1 1 -11 1  6  o 712.9332 12.12810 14935.38       507.0982 15041.70       720.8655 14831.22       713.4817 714.7205 17.19759 709.7120 17.14155 5.008423       24.28147 
1 1 1 -11 1  7  f 351.3416 7.784594 3622.585       160.4043 3482.842       221.7792 3775.871       232.2767 344.1898 11.00096 358.3856 11.06433 -14.19580      15.60258 
1 1 1 -11 1  8  o 239.5436 7.553425 1685.435       105.9829 1658.555       147.0933 1714.454       152.8365 237.4316 10.59005 241.3899 10.82339 -3.958374      15.14249 
1 1 1 -11 1  9  o 737.2708 12.45337 15966.20       538.4736 15747.08       753.9044 16194.41       769.3642 731.5880 17.57111 741.8908 17.68241 -10.30280      24.92813 
1 1 1 -11 1  10 o 627.8302 10.89625 11572.59       401.2080 11528.68       567.0362 11616.61       567.7522 626.2565 15.43860 628.6440 15.39939 -2.387573      21.80577 
1 1 1 -11 1  11 o 845.4468 14.02843 21000.91       695.5779 20954.80       982.1330 21047.31       985.2658 843.6970 19.84875 845.5541 19.86834 -1.857117      28.08423 
1 1 1 -11 1  12 o 526.5510 9.548750 8137.554       294.8746 8287.965       422.4864 7994.689       411.7522 530.9774 13.57822 521.5020 13.47390 9.475403       19.12888 
1 1 1 -11 1  13 o 316.6401 7.789159 2941.851       144.6462 3063.483       207.5829 2827.054       201.6666 322.8353 10.97975 310.1037 11.10653 12.73160       15.61762 
1 1 1 -11 1  14 o 1283.543 20.75683 48531.19       1562.507 48459.73       2207.279 48602.97       2212.167 1279.669 29.41094 1281.551 29.43279 -1.881348      41.60880 
1 1 1 -11 1  15 o 402.5951 12.81024 4766.329       302.0809 5373.760       450.4047 4269.697       407.2599 426.9386 18.02875 380.4407 18.30673 46.49796       25.69381 
1 1 1 -11 1  16 o 799.3973 13.49151 18778.94       632.5192 18592.44       887.1809 18971.74       902.0385 794.5802 19.03811 802.6219 19.16300 -8.041687      27.01241 
1 1 1 -11 1  17 o 590.1111 10.61568 10225.94       367.3942 10102.01       516.0144 10353.35       523.2080 585.9173 15.02912 593.1630 15.05223 -7.245667      21.27074 
1 1 1 -11 1  18 o 712.9367 12.19455 14934.83       509.8792 15451.69       741.2444 14470.64       702.4728 724.4027 17.44740 701.0884 17.08466 23.31427       24.41920 
1 1 1 -11 1  19 f 529.7615 9.663904 8241.257       300.2504 8042.095       417.0905 8455.475       432.5687 522.7831 13.61532 536.0385 13.77109 -13.25531      19.36543 
1 1 1 -11 1  20 o 191.9818 8.327121 1084.126       93.53441 1079.785       133.2690 1088.340       131.3080 191.2850 11.93902 192.0669 11.71273 -0.7819061     16.72507 
1 1 1 -11 1  21 o 459.2760 8.765446 6194.997       236.1013 6242.603       337.0221 6149.116       330.8584 460.5025 12.49042 457.0580 12.35432 3.444489       17.56815 
1 1 1 -11 1  22 o 157.1709 11.25522 730.1878       103.0604 665.2230       132.7607 828.7066       163.4895 149.4344 15.36725 166.7127 16.95707 -17.27821      22.88437 
1 1 1 -11 1  23 o 281.7138 7.144717 2331.880       117.9487 2387.521       169.2822 2279.382       164.4327 284.7693 10.15226 278.2438 10.09328 6.525543       14.31582 
1 1 1 -11 1  24 o 315.9671 7.185609 2932.216       133.1545 2883.040       187.6173 2982.124       189.0083 312.8843 10.23820 318.2339 10.14002 -5.349640      14.40974 
1 1 1 -11 1  25 o 494.5870 9.047467 7193.884       262.4341 7263.349       373.4831 7126.138       368.8362 496.0774 12.84803 491.3758 12.80972 4.701630       18.14280 
1 1 1 -11 1  26 o 146.4913 8.265245 632.9666       70.72170 676.4679       99.90475 589.2716       100.1268 151.0805 11.35845 140.8201 12.24533 10.26038       16.70217 
1 1 1 -11 1  27 o 109.8649 10.21212 358.5795       65.04661 288.5853       91.71293 429.4253       92.26918 97.29589 16.67212 119.8243 13.35672 -22.52841      21.36262 
1 1 1 -11 1  28 o 131.5163 8.749180 511.3033       67.09977 592.1707       94.88334 430.4016       94.90348 141.1873 11.56005 119.8405 13.75180 21.34686       17.96515 
1 1 1 -11 1  29 o 228.4942 7.236959 1536.618       96.85765 1512.473       136.4365 1561.151       137.5248 226.2627 10.30884 229.8958 10.22557 -3.633133      14.52014 
1 1 1 -11 1  30 o 365.2503 7.025010 3922.162       150.4832 3891.842       344.5399 3929.310       167.2825 361.4439 16.29545 365.4723 7.804508 -4.028351      18.06798 
1 1 1 -11 1  31 o 336.9906 6.916010 3338.390       136.6860 3464.046       327.5587 3311.896       150.4069 340.9337 16.43044 335.5586 7.642737 5.375092       18.12100 
1 1 1 -11 1  32 o 382.2056 6.900625 4294.237       154.6806 4202.987       215.1776 4391.811       222.5095 377.5411 9.726222 385.9092 9.839369 -8.368103      13.83519 
1 1 1 -11 1  33 o 125.3182 10.80656 466.8248       78.64896 531.5900       114.6710 409.2965       108.0747 133.0256 14.95720 116.2236 16.30317 16.80196       22.12490 
1 1 1 -11 1  34 o 33.34705 15.60416 -74.31522      76.13976 -131.0374      106.3504 -14.67002      109.0563 37.38293 17.77640 47.85512 20.81510 -10.47219      27.37278 
1 1 1 -11 1  35 o 114.0735 13.20781 391.0695       86.73138 406.5626       120.6895 374.5234       124.7234 115.0667 18.51203 109.9247 20.08642 5.141975       27.31592 
1 1 1 -11 1  36 o 164.4145 9.886455 801.5793       94.88998 756.2458       135.1156 845.6976       133.2923 158.6091 14.69234 168.0724 13.63966 -9.463272      20.04758 
1 1 1 -11 1  37 o 235.3975 7.614163 1634.726       104.9791 1580.511       146.1007 1692.594       150.9434 230.7466 10.82627 238.8106 10.80529 -8.064011      15.29583 
1 1 1 -11 1  38 o 221.0156 8.061322 1443.149       104.3161 1417.737       144.6509 1470.687       150.5781 218.2649 11.33910 222.2408 11.59289 -3.975861      16.21635 
1 1 1 -11 1  39 o 100.9622 17.15918 316.3380       97.97046 464.3822       141.7185 180.8268       135.5871 121.5615 20.61405 76.95838 25.64565 44.60316       32.90348 
1 1 1 -11 1  40 o 139.3982 11.68730 584.1786       94.66921 588.7303       133.6544 579.5959       134.1117 138.1646 16.84200 136.9882 17.06172 1.176392       23.97405 
1 1 1 -11 1  41 o 133.4907 11.54382 537.8375       89.48833 398.9027       131.9408 656.1978       121.7802 111.1306 21.01357 146.4661 14.36158 -35.33550      25.45241 
1 1 1 -11 1  42 o 159.8191 9.711963 765.2366       90.60065 809.2059       125.8998 718.0098       130.4802 162.8842 13.29495 152.6912 14.75427 10.19296       19.86062 
1 1 1 -11 1  43 o 53.47915 19.81516 76.71765       82.53088 64.39730       121.4278 87.29553       112.5138 57.23213 23.21119 59.03337 22.84140 -1.801243      32.56515 
1 1 1 -11 1  44 o 40.83007 18.14431 -18.15643      87.05358 15.00191       123.9053 -50.47933      122.3344 51.72858 22.34414 45.49595 20.74162 6.232632       30.48730 
1 1 1 -11 1  45 o 141.4156 11.37631 610.3914       93.55610 736.2054       127.9443 465.8177       137.1517 153.6669 14.36320 118.3345 20.50496 35.33233       25.03507 
1 1 1 -11 1  46 o 201.4527 9.526582 1224.243       112.2351 1229.169       158.1021 1219.240       159.3539 198.9919 13.62957 198.0414 13.80653 0.9505310      19.40065 
1 1 1 -11 1  47 o 54.56889 22.99347 50.50452       125.5460 129.9053       271.6594 28.94069       141.5713 74.14896 32.53815 54.60748 23.73442 19.54147       40.27473 
1 1 1 -11 1  48 o 48.57888 20.84860 24.89389       106.5456 153.1070       148.0305 -112.9209      153.4733 68.19122 26.24870 45.75586 21.63939 22.43537       34.01849 
1 1 1 -11 1  49 o 58.59018 23.86162 88.95970       128.9607 115.4261       160.9253 41.45753       215.5924 64.22432 26.46143 62.80325 28.18521 1.421066       38.66024 
1 1 1 -11 1  50 o 59.87455 24.50982 96.09456       136.9168 300.0458       189.8350 -125.0202      197.6614 85.10452 30.26188 51.00878 24.24973 34.09575       38.77925 
1 1 1 -11 2  1  o 617.3287 12.51950 11204.99       453.2669 11604.59       800.4750 11016.39       549.9242 626.1706 21.83079 611.5126 15.34582 14.65802       26.68479 
1 1 1 -11 2  2  o 513.1367 10.94358 7736.806       329.3387 7843.662       407.2555 7534.866       559.8610 516.2277 13.46313 505.0352 18.93554 11.19247       23.23383 
1 1 1 -11 2  3  o 368.1382 9.254019 3982.205       199.6399 4055.027       340.1467 3943.936       246.5778 370.7940 15.67704 366.1619 11.49658 4.632111       19.44071 
1 1 1 -11 2  4  o 953.2209 15.70227 26747.32       877.8223 26209.85       1221.061 27322.20       1262.850 941.8193 22.10646 961.5012 22.39501 -19.68195      31.46796 
1 1 1 -11 2  5  o 123.5092 11.46362 452.0225       82.08926 412.8026       110.5704 500.1874       122.5324 117.2731 16.53480 129.3056 16.53574 -12.03241      23.38441 
1 1 1 -11 2  6  o 97.96626 13.15957 287.1276       73.69769 302.1632       99.72517 269.0354       109.3930 99.83268 17.67960 93.71744 20.47677 6.115242       27.05303 
1 1 1 -11 2  7  o 714.1194 12.13011 14981.75       508.0262 14783.98       710.4301 15188.72       726.7634 708.7476 17.09146 718.3592 17.25047 -9.611633      24.28367 
1 1 1 -11 2  8  o 206.1753 7.903306 1249.230       95.38739 1266.019       131.4622 1230.564       138.6184 207.3599 10.84772 204.3658 11.61324 2.994125       15.89152 
1 1 1 -11 2  9  o 525.8680 9.580738 8117.031       295.4788 8129.370       419.2137 8104.848       416.5393 525.8326 13.60512 525.0451 13.53852 0.7874756      19.19351 
1 1 1 -11 2  10 o 979.4487 16.04534 28204.03       921.6821 28438.34       1312.444 27976.03       1294.649 982.2159 22.78365 974.2272 22.65903 7.988770       32.13295 
1 1 1 -11 2  11 o 453.0363 8.645909 6022.922       229.7175 5900.163       321.8475 6150.403       327.9786 448.0617 12.25943 457.4736 12.23542 -9.411926      17.32048 
1 1 1 -11 2  12 f 71.77293 17.21487 157.5916       71.52921 159.6524       98.90253 155.3316       103.5743 73.09000 21.58367 72.58907 22.23630 0.5009308      30.98883 
1 1 1 -11 2  13 o 732.4299 12.42311 15755.74       533.6381 15596.57       748.8322 15919.97       760.6634 728.1511 17.53527 735.6489 17.63078 -7.497803      24.86624 
1 1 1 -11 2  14 f 859.2720 14.30388 21698.43       720.8336 21946.34       1030.166 21460.61       1008.989 863.2053 20.34898 853.6352 20.15411 9.570068       28.64034 
1 1 1 -11 2  15 o 978.2678 16.13256 28144.61       925.5748 27711.79       1292.264 28600.54       1326.321 969.3348 22.73145 984.6973 22.96653 -15.36249      32.31377 
1 1 1 -11 2  16 o 527.0726 9.896880 8155.740       305.9280 7962.785       427.3298 8358.607       438.1689 520.3108 14.01670 533.0939 14.02700 -12.78314      19.82989 
1 1 1 -11 2  17 o 677.3447 11.77700 13477.30       467.8374 13601.29       668.3116 13358.14       655.1295 679.8420 16.76179 673.7637 16.57941 6.078308       23.57614 
1 1 1 -11 2  18 o 1024.706 16.77591 30909.58       1008.175 30358.19       1404.930 31494.95       1447.575 1013.607 23.63385 1032.318 23.90987 -18.71069      33.61905 
1 1 1 -11 2  19 o 238.0103 7.708441 1664.411       107.4582 1876.330       157.1243 1478.189       147.2898 252.5146 10.63357 224.0227 11.24660 28.49193       15.47769 
1 1 1 -11 2  20 o 278.3499 7.589774 2275.976       123.7841 2287.654       177.3623 2264.885       172.8397 278.8069 10.86776 277.4344 10.64238 1.372498       15.21080 
1 1 1 -11 2  21 o 506.8384 13.33298 7565.384       395.9771 7259.767       555.4204 7881.283       564.6868 495.3510 19.15480 516.2594 18.68124 -20.90836      26.75622 
1 1 1 -11 2  22 o 608.2809 12.21985 10887.90       435.9338 10405.34       725.3700 11160.73       545.4197 592.3047 20.91443 615.2873 15.11480 -22.98260      25.80447 
1 1 1 -11 2  23 o 509.0245 9.258893 7615.585       276.4065 7623.134       392.7760 7608.179       389.0464 508.5052 13.18152 508.0290 13.06842 0.4762268      18.56168 
1 1 1 -11 2  24 o 180.0588 7.410722 953.9454       78.09013 950.7960       113.6106 956.7659       107.5137 179.4135 10.84794 180.0505 10.22368 -0.6369934     14.90642 
1 1 1 -11 2  25 o 363.7785 7.570747 3888.507       161.5200 3932.667       231.3282 3846.498       225.6260 365.2931 10.80973 361.2904 10.66001 4.002686       15.18176 
1 1 1 -11 2  26 o 101.2924 10.73453 305.5825       62.79969 281.5253       91.45898 327.0433       86.38261 96.08411 16.84396 104.1942 14.53092 -8.110077      22.24560 
1 1 1 -11 2  27 o 263.1548 7.015921 2036.519       108.1830 1947.594       150.8907 2130.582       155.1874 256.9533 10.03213 268.7971 9.860936 -11.84372      14.06704 
1 1 1 -11 2  28 o 60.08648 16.30340 110.7675       58.90207 43.46359       86.48811 168.9882       80.44048 50.34380 19.86560 73.87612 18.58514 -23.53232      27.20385 
1 1 1 -11 2  29 o 73.09324 17.52210 165.4031       74.13635 159.7443       164.6671 166.8417       83.02706 78.01746 28.13236 73.39494 19.10563 4.622520       34.00669 
1 1 1 -11 2  30 o 297.5016 6.636739 2601.375       115.7963 2649.485       278.6286 2591.331       127.3116 298.1798 15.99148 296.8534 7.312660 1.326416       17.58415 
1 1 1 -11 2  31 o 126.1984 11.83061 474.4396       86.54028 558.1387       196.2806 454.2429       96.41772 133.5473 25.99616 123.1490 13.57477 10.39832       29.32703 
1 1 1 -11 2  32 o 360.5389 7.446189 3822.722       157.4478 3633.194       354.0722 3869.436       175.7837 348.8639 17.36008 362.6143 8.265766 -13.75040      19.22746 
1 1 1 -11 2  33 o 78.29856 16.46028 189.0863       73.18289 157.1347       98.29987 228.8169       109.6147 71.86617 21.59029 85.60712 21.78272 -13.74095      30.66966 
1 1 1 -11 2  34 f 36.00655 16.41040 -47.42891      76.50330 -125.7192      104.0567 44.67358       112.8631 37.15159 17.64262 55.58040 22.43659 -18.42881      28.54229 
1 1 1 -11 2  35 o 348.7325 6.894450 3577.830       141.0076 3548.651       199.7018 3606.842       199.1292 346.5885 9.834596 349.4492 9.725747 -2.860687      13.83146 
1 1 1 -11 2  36 o 161.6673 9.682295 774.7831       91.38112 785.0897       132.4558 765.4221       126.2335 161.7769 14.10137 159.8501 13.59398 1.926834       19.58686 
1 1 1 -11 2  37 o 119.9974 12.86674 432.9881       89.13815 420.5526       126.3714 445.3018       125.7516 116.5345 19.15526 120.2125 18.42295 -3.677940      26.57685 
1 1 1 -11 2  38 o 39.10730 17.82544 -53.02902      90.29520 7.828584       129.8295 -110.0457      125.6657 54.09056 23.10954 43.16270 20.14783 10.92787       30.65919 
1 1 1 -11 2  39 o 118.7309 13.80803 427.4593       94.35756 436.5138       138.5931 419.6361       128.8251 117.6715 20.84552 115.7416 19.68241 1.929893       28.66937 
1 1 1 -11 2  40 o 132.9424 12.03132 532.5591       92.79082 427.5266       129.6906 642.7170       132.8173 116.3345 19.71166 144.7845 15.90311 -28.45000      25.32703 
1 1 1 -11 2  41 o 123.5439 12.38015 463.2923       88.49377 624.8467       121.2353 279.0515       129.4681 142.7381 14.69193 91.57845 23.86733 51.15963       28.02681 
1 1 1 -11 2  42 o 193.9535 8.637152 1121.145       98.00043 997.5471       138.6417 1244.571       138.5454 181.0063 13.14988 203.0399 11.68418 -22.03358      17.59089 
1 1 1 -11 2  43 o 38.10820 17.41145 -46.09816      86.81363 -71.02823      122.8642 -21.24198      122.6820 44.25493 20.40102 48.35384 21.51062 -4.098911      29.64639 
1 1 1 -11 2  44 o 58.98087 20.78869 105.1903       89.42100 179.1320       132.8641 43.96400       120.9015 73.52071 25.37736 54.32533 22.70599 19.19538       34.05250 
1 1 1 -11 2  45 o 161.2780 10.93991 790.6838       102.8635 917.9290       145.7528 664.4181       145.1907 171.5094 14.62988 143.8349 17.57641 27.67447       22.86840 
1 1 1 -11 2  46 f 66.26244 24.16540 140.9196       121.9576 3.878067       224.2772 198.4557       145.3213 63.22222 28.52765 75.37440 26.50705 -12.15218      38.94163 
1 1 1 -11 2  47 o 33.74099 16.19657 -113.1386      92.82831 -225.4219      125.0315 24.77301       138.5677 35.00129 17.23431 53.78819 23.42851 -18.78690      29.08465 
1 1 1 -11 2  48 o 200.0853 10.11417 1218.349       118.3000 1108.582       162.9770 1340.591       171.9896 186.8168 15.00109 206.2237 14.30918 -19.40694      20.73127 
1 1 1 -11 2  49 o 52.72217 21.55836 62.69932       105.7831 74.16525       143.3280 48.98109       156.7745 58.41195 24.58781 57.48783 24.98142 0.9241142      35.05185 
1 1 1 -11 2  50 f 85.49551 24.04395 271.9552       125.5761 128.0099       173.1924 431.5137       182.3434 65.93324 27.33548 103.3864 28.93681 -37.45316      39.80662 
1 1 1 -11 3  1  o 469.5592 12.81169 6487.406       352.4856 6580.052       497.6501 6394.132       499.3340 472.1291 18.00568 465.3448 18.33228 6.784210       25.69585 
1 1 1 -11 3  2  o 370.4590 11.40165 4036.546       247.4234 3940.870       339.2316 4145.295       361.6639 365.5205 15.86241 374.8108 16.49329 -9.290253      22.88329 
1 1 1 -11 3  3  f 362.7308 8.036891 3862.116       170.9712 4050.742       245.3110 3683.944       238.4161 371.1319 11.28347 353.8933 11.50244 17.23865       16.11282 
1 1 1 -11 3  4  o 584.3271 10.36406 10028.30       355.1701 10273.70       509.9805 9797.174       494.9304 590.9537 14.71464 576.9116 14.63981 14.04211       20.75680 
1 1 1 -11 3  5  o 759.2939 12.80827 16944.89       570.3623 16711.24       797.2750 17189.82       816.2893 753.1888 18.04903 763.8646 18.22121 -10.67578      25.64722 
1 1 1 -11 3  6  o 914.4708 15.09395 24595.07       809.5120 24196.05       1129.552 25016.43       1160.731 905.7026 21.26522 920.8710 21.49227 -15.16840      30.23454 
1 1 1 -11 3  7  o 142.9700 9.669601 602.7997       80.60120 599.3247       109.8336 606.8550       118.6509 142.1913 13.32607 142.9683 14.34438 -0.7770081     19.57921 
1 1 1 -11 3  8  o 187.7847 8.125014 1036.741       89.27007 1025.409       122.2980 1049.665       130.6049 186.5311 11.23140 188.6788 11.86286 -2.147614      16.33622 
1 1 1 -11 3  9  o 56.76445 18.13708 92.59519       68.16473 55.06767       89.69968 143.8862       104.8665 53.20900 20.44541 70.60300 22.48915 -17.39400      30.39370 
1 1 1 -11 3  10 o 151.6129 8.864572 676.8768       78.47762 642.6782       108.9314 713.7805       113.1575 147.3783 12.72744 155.3949 12.52237 -8.016556      17.85490 
1 1 1 -11 3  11 o 725.2244 12.28101 15445.81       522.3445 15102.16       727.2547 15811.98       750.7172 716.5873 17.30481 733.2150 17.45800 -16.62769      24.58126 
1 1 1 -11 3  12 o 396.0979 8.157606 4603.783       189.5029 4543.479       267.3647 4664.662       268.6350 393.1906 11.60716 398.4115 11.50895 -5.220917      16.34571 
1 1 1 -11 3  13 o 263.5404 7.861617 2039.754       121.3735 2023.704       173.4671 2055.147       169.8850 262.2863 11.30347 264.3430 10.98205 -2.056671      15.75988 
1 1 1 -11 3  14 o 1439.858 23.20581 61146.38       1959.598 60668.40       2754.266 61636.35       2788.634 1430.092 32.83910 1441.380 32.98849 -11.28784      46.54726 
1 1 1 -11 3  15 o 1134.265 26.26880 38020.07       1747.453 38020.07       1747.453 0.000000       0.000000 1134.265 26.26880 ?        ?        0.000000       26.26880 
1 1 1 -11 3  16 o 602.0860 12.57471 10650.22       444.0247 11473.05       570.0485 9380.795       708.0403 624.5985 15.56182 563.6481 21.45820 60.95044       26.50707 
1 1 1 -11 3  17 o 378.3931 11.61872 4209.853       257.5356 4573.023       362.4389 3839.495       366.0078 393.9683 15.71794 360.7389 17.35090 33.22940       23.41170 
1 1 1 -11 3  18 o 422.7868 9.848544 5248.671       244.1991 5596.882       309.0104 4669.523       398.5169 436.2708 12.08886 397.8747 17.11856 38.39609       20.95676 
1 1 1 -11 3  19 o 517.8219 9.495757 7873.973       288.3769 7827.924       407.4338 7920.199       408.2204 515.7620 13.48124 518.8022 13.42788 -3.040161      19.02766 
1 1 1 -11 3  20 o 347.9977 7.779985 3555.085       158.7836 3585.267       227.2178 3526.279       221.9816 349.0972 11.11217 346.2273 10.94590 2.869934       15.59785 
1 1 1 -11 3  21 o 278.4923 7.461747 2278.562       121.7623 2386.518       177.5199 2182.647       167.3275 284.7466 10.64887 272.3100 10.49705 12.43661       14.95281 
1 1 1 -11 3  22 o 458.7208 8.714893 6181.629       234.4558 6256.868       335.4755 6109.795       327.7989 460.9090 12.42199 455.4781 12.28248 5.430847       17.46898 
1 1 1 -11 3  23 o 427.7609 8.286062 5375.812       207.8738 5250.822       291.6261 5504.917       296.3877 422.1880 11.78950 432.3048 11.70090 -10.11682      16.61034 
1 1 1 -11 3  24 o 278.1069 7.024686 2273.004       114.4831 2216.972       162.7762 2327.852       161.0448 274.3275 10.13488 281.1565 9.781606 -6.829071      14.08529 
1 1 1 -11 3  25 o 284.7641 6.989862 2382.094       116.7359 2386.417       167.2949 2377.993       162.9690 284.5803 10.03941 284.1102 9.795299 0.4701233      14.02632 
1 1 1 -11 3  26 o 156.9343 8.032167 725.9531       73.68077 730.0842       107.1576 722.2485       101.4751 156.9247 11.72827 156.1576 11.15360 0.7671509      16.18502 
1 1 1 -11 3  27 o 132.8568 8.754417 521.5882       67.83200 628.4573       100.4199 431.9063       91.99117 145.4647 11.87417 120.1794 13.27251 25.28535       17.80886 
1 1 1 -11 3  28 o 257.2943 6.519711 1946.525       98.30125 1993.820       241.9231 1937.172       107.5829 258.6573 16.02657 256.6038 7.155731 2.053528       17.55151 
1 1 1 -11 3  29 o 240.0614 6.548904 1694.918       92.11610 1770.531       231.8193 1680.740       100.3813 243.5231 16.32582 238.9844 7.170082 4.538727       17.83095 
1 1 1 -11 3  30 o 187.1709 7.297562 1031.723       79.95280 946.8227       209.5206 1046.193       86.49830 176.6174 20.61473 188.4184 7.844852 -11.80106      22.05695 
1 1 1 -11 3  31 o 431.0399 7.797084 5465.445       197.1062 5277.919       447.8935 5510.484       219.5040 420.2672 18.21508 432.6550 8.650679 -12.38779      20.16491 
1 1 1 -11 3  32 o 271.3472 10.00083 2173.238       158.8797 0.000000       0.000000 2173.238       158.8797 ?        ?        271.3472 10.00083 0.000000       10.00083 
1 1 1 -11 3  33 o 399.1662 7.699145 4687.590       180.2382 4456.479       397.3232 4747.471       202.2444 386.1693 17.58966 401.5475 8.587944 -15.37820      19.57419 
1 1 1 -11 3  34 o 116.1681 11.25723 402.4599       75.73517 444.2879       101.8240 350.6677       113.3049 121.4596 14.58594 106.7264 18.78787 14.73317       23.78516 
1 1 1 -11 3  35 o 145.1569 9.713038 624.6456       82.21233 602.5607       110.5751 651.9443       122.9364 141.8454 13.45284 147.3743 14.40737 -5.528946      19.71170 
1 1 1 -11 3  36 o 153.5844 10.01773 700.0981       89.74091 555.0715       122.5371 867.8626       131.7935 135.4059 15.72246 170.3449 13.29739 -34.93909      20.59166 
1 1 1 -11 3  37 o 209.1978 8.079089 1292.538       98.93569 1312.389       142.7968 1274.211       137.2032 210.0016 11.63985 206.9912 11.34556 3.010422       16.25447 
1 1 1 -11 3  38 o 201.7039 8.247473 1202.857       97.35735 1288.141       137.9603 1118.252       137.4095 207.9964 11.35265 193.5305 12.16804 14.46591       16.64163 
1 1 1 -11 3  39 o 29.52927 14.47989 -165.0076      85.38032 -218.0671      114.2784 -97.96963      128.4527 34.14386 16.74461 44.46373 20.62429 -10.31986      26.56583 
1 1 1 -11 3  40 o 218.8671 7.846310 1418.514       100.5526 1450.532       139.2680 1383.647       145.3314 220.3706 10.80872 214.9308 11.57216 5.439789       15.83488 
1 1 1 -11 3  41 o 34.11342 16.08996 -85.60029      83.80108 -62.49662      116.7736 -110.1334      120.3317 44.05565 20.15331 41.30654 19.41998 2.749107       27.98735 
1 1 1 -11 3  42 f 43.40426 18.45488 10.47593       82.09763 -91.64731      117.3397 108.4064       114.9057 41.72428 19.47393 62.64087 23.34816 -20.91659      30.40346 
1 1 1 -11 3  43 o 106.4567 15.30213 355.0003       92.79604 242.5078       129.2086 474.8312       133.3565 84.25766 24.61302 121.2729 19.40380 -37.01526      31.34179 
1 1 1 -11 3  44 o 85.75813 18.70239 241.4996       91.40798 214.7434       129.0154 268.4684       129.5269 79.00311 24.91771 87.93613 24.30530 -8.933022      34.80862 
1 1 1 -11 3  45 o 46.50505 19.85595 17.35738       95.73523 12.93509       134.7281 21.86765       136.0619 52.86604 23.06301 53.91842 23.35232 -1.052380      32.82124 
1 1 1 -11 3  46 o 198.7909 9.368584 1191.292       108.9174 1187.195       152.1868 1195.594       155.9470 195.7467 13.33624 196.2026 13.63745 -0.4559174     19.07447 
1 1 1 -11 3  47 o 85.07637 20.36807 248.6420       100.2775 230.4222       132.6976 272.8983       153.1104 79.55950 25.29296 85.21962 27.17749 -5.660118      37.12613 
1 1 1 -11 3  48 o 137.8883 14.05345 600.5895       112.0610 535.4170       155.2237 671.5293       161.9462 123.9090 22.17436 140.8627 20.17869 -16.95364      29.98136 
1 1 1 -11 3  49 o 116.9241 16.41862 446.8305       109.4900 468.1704       148.3389 421.2898       162.2836 114.5144 22.88824 105.2538 26.35211 9.260582       34.90423 
1 1 1 -11 3  50 o 56.70016 23.37572 77.97389       125.6845 238.4455       175.7231 -90.10083      179.8377 78.00523 28.91165 50.45832 23.72837 27.54691       37.40213 
1 1 1 -11 4  1  o 231.3457 11.40325 1576.302       154.2411 1592.240       209.1678 1557.305       228.3524 232.0952 15.45466 229.3173 17.10240 2.777863       23.05078 
1 1 1 -11 4  2  o 528.9644 11.19561 8220.236       347.3158 7801.641       571.0888 8465.935       437.5294 514.0792 18.97444 536.3594 13.92093 -22.28021      23.53341 
1 1 1 -11 4  3  o 271.9897 10.53517 2176.066       167.7345 2199.194       226.0208 2147.714       250.2502 273.0947 14.16023 269.6745 15.89330 3.420166       21.28636 
1 1 1 -11 4  4  o 532.6422 9.715537 8330.304       303.4959 8321.896       426.2360 8338.949       432.2432 531.8573 13.67618 532.3795 13.85561 -0.5222168     19.46833 
1 1 1 -11 4  5  o 430.3860 8.543926 5436.914       215.6583 5308.313       299.0337 5576.291       311.3104 424.8984 12.01214 435.4814 12.20118 -10.58301      17.12193 
1 1 1 -11 4  6  o 438.7702 8.651714 5650.577       222.6331 5521.255       309.8701 5788.561       320.0797 433.3529 12.20451 443.7171 12.31179 -10.36417      17.33581 
1 1 1 -11 4  7  o 527.4344 9.613660 8166.137       297.3773 8182.948       419.5921 8149.170       421.5244 527.5268 13.57354 526.4264 13.66476 1.100403       19.26049 
1 1 1 -11 4  8  o 330.7992 7.663003 3210.855       148.6668 3036.044       204.6275 3406.278       216.3556 321.3835 10.87215 340.4384 10.85011 -19.05487      15.35997 
1 1 1 -11 4  9  o 397.4279 8.063705 4634.729       187.9505 4725.515       268.0148 4546.881       263.6435 401.0074 11.40768 393.3462 11.44072 7.661133       16.15628 
1 1 1 -11 4  10 o 797.8204 13.33258 18697.92       623.8352 18711.09       883.4217 18684.82       881.0554 797.3969 18.89048 796.8426 18.85299 0.5543213      26.68867 
1 1 1 -11 4  11 o 695.7585 11.85842 14214.78       483.8780 14189.74       684.0333 14239.86       684.5807 694.6619 16.79010 695.8894 16.77390 -1.227539      23.73333 
1 1 1 -11 4  12 o 588.1758 10.42294 10155.72       359.5405 9990.873       504.5851 10325.74       512.4401 582.8750 14.77266 592.7542 14.74069 -9.879211      20.86910 
1 1 1 -11 4  13 o 1028.545 16.84213 31113.92       1015.947 31287.78       1444.786 30943.88       1428.878 1029.865 23.92062 1024.224 23.78756 5.641724       33.73491 
1 1 1 -11 4  14 o 289.7629 8.363181 2466.030       141.9745 2609.233       204.8151 2333.575       196.9786 297.8403 11.74846 281.6265 11.95319 16.21375       16.76022 
1 1 1 -11 4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 4  16 o 553.1413 14.42105 9000.869       467.4260 9000.869       467.4260 0.000000       0.000000 553.1413 14.42105 ?        ?        0.000000       14.42105 
1 1 1 -11 4  17 o 347.0779 11.86483 3543.072       241.1571 3543.072       241.1571 0.000000       0.000000 347.0779 11.86483 ?        ?        0.000000       11.86483 
1 1 1 -11 4  18 o 558.2957 10.05910 9153.195       329.3622 9270.763       472.1031 9041.715       459.7208 561.2709 14.35392 554.3170 14.15275 6.953857       20.15776 
1 1 1 -11 4  19 o 374.4177 8.013453 4115.135       175.9651 3998.473       248.0280 4233.361       249.6848 368.6931 11.48458 379.4029 11.23361 -10.70978      16.06517 
1 1 1 -11 4  20 o 557.3574 9.999390 9126.450       326.8570 8543.057       442.8281 9824.707       484.4641 538.5803 14.03151 577.7213 14.29857 -39.14093      20.03328 
1 1 1 -11 4  21 o 481.8252 9.021823 6819.556       254.9379 6704.514       358.6688 6937.027       362.4339 477.1491 12.82872 485.3717 12.74323 -8.222656      18.08220 
1 1 1 -11 4  22 o 348.4462 7.632434 3565.425       155.9730 3467.023       220.3187 3664.294       220.8404 343.1712 10.96093 352.8430 10.68433 -9.671783      15.30676 
1 1 1 -11 4  23 o 110.1775 11.88662 361.4890       75.59302 372.8015       91.31100 336.8478       134.7637 111.5381 14.28644 104.4625 22.65084 7.075615       26.77990 
1 1 1 -11 4  24 o 184.2516 7.573046 999.0413       81.65932 1093.356       119.5972 916.6714       111.7674 192.4493 10.63768 176.1350 10.87279 16.31424       15.21111 
1 1 1 -11 4  25 o 533.4434 9.568592 8372.670       299.3553 8229.278       419.8988 8520.878       426.8925 527.7843 13.57683 537.0634 13.56407 -9.279114      19.19152 
1 1 1 -11 4  26 o 337.8134 7.403360 3353.883       146.6750 3252.945       206.6706 3456.318       208.1975 332.1301 10.62377 342.4083 10.37965 -10.27820      14.85266 
1 1 1 -11 4  27 o 48.83477 16.43855 66.28400       55.69193 -51.79767      166.1502 81.23000       59.11150 56.55142 25.10229 52.84597 16.89026 3.705452       30.25568 
1 1 1 -11 4  28 o 221.8370 6.643937 1447.510       86.34164 1564.875       224.3603 1427.107       93.54604 228.8192 16.83661 220.2016 7.253497 8.617599       18.33261 
1 1 1 -11 4  29 o 298.5229 6.594050 2619.121       115.4464 2817.927       291.6776 2582.191       125.7126 307.4875 16.23178 296.3429 7.233252 11.14456       17.77050 
1 1 1 -11 4  30 o 352.8738 7.080651 3660.995       146.5356 3250.798       335.9135 3757.400       162.8472 329.9021 17.42346 357.3942 7.769306 -27.49210      19.07719 
1 1 1 -11 4  31 o 199.9910 7.983740 1178.580       93.45310 1074.332       246.7780 1196.033       100.9734 187.6006 22.90394 201.3948 8.568439 -13.79419      24.45422 
1 1 1 -11 4  32 o 216.2859 8.026802 1378.266       101.6406 1490.166       265.9987 1359.134       109.9867 222.0624 20.66168 214.6813 8.754020 7.381088       22.43965 
1 1 1 -11 4  33 o 208.8910 7.843798 1285.753       95.92338 1059.442       243.3362 1327.391       104.3752 186.1389 22.76358 212.1761 8.404472 -26.03722      24.26553 
1 1 1 -11 4  34 f 265.4231 7.388793 2074.494       114.9053 2341.921       286.1667 2023.089       125.4637 279.4021 17.55249 261.9885 8.175555 17.41360       19.36310 
1 1 1 -11 4  35 o 355.8525 7.087857 3726.568       147.9229 3515.625       199.2972 3985.322       220.7300 344.9223 9.862236 367.1443 10.26125 -22.22195      14.23225 
1 1 1 -11 4  36 o 325.7468 6.900098 3123.516       131.8214 3078.477       184.1758 3170.822       188.7558 322.6339 9.744740 327.4139 9.841152 -4.780090      13.84949 
1 1 1 -11 4  37 o 92.94358 16.00697 265.8788       84.10461 251.7788       119.7931 279.5851       118.1086 88.97284 22.84215 93.91335 21.85557 -4.940514      31.61376 
1 1 1 -11 4  38 o 144.0628 11.30266 619.8802       94.73137 560.2025       131.0585 685.1729       137.0855 135.3779 16.87213 150.2583 15.79191 -14.88043      23.10959 
1 1 1 -11 4  39 o 173.5247 9.633017 895.0590       97.64867 1005.421       140.2317 791.1723       136.0552 182.9054 13.16080 161.7087 14.49976 21.19667       19.58187 
1 1 1 -11 4  40 o 128.7006 12.25386 500.2897       91.37711 380.2957       125.5820 635.3005       133.2085 109.2097 20.35591 143.7691 16.07322 -34.55945      25.93668 
1 1 1 -11 4  41 o 156.1262 9.925849 729.7467       90.41479 760.0247       129.6185 701.0527       126.1824 157.7060 14.16494 151.3207 14.39143 6.385361       20.19303 
1 1 1 -11 4  42 o 226.1770 7.983953 1520.836       105.7390 1476.912       146.6899 1568.344       152.5577 221.3555 11.33727 228.0630 11.44243 -6.707535      16.10785 
1 1 1 -11 4  43 o 133.8442 13.12599 549.6226       101.7108 359.5487       161.8256 673.7404       130.7685 101.1773 26.83569 147.1527 15.37932 -45.97543      30.93021 
1 1 1 -11 4  44 o 44.43881 19.34944 -0.7982562E-01 94.44719 165.1130       134.8067 -159.3400      132.3638 71.41046 25.48970 40.22929 19.31878 31.18117       31.98343 
1 1 1 -11 4  45 f 97.20344 17.70249 307.8099       97.20066 297.7242       136.1066 318.3077       138.8597 91.63840 24.74836 94.79961 24.72328 -3.161217      34.98174 
1 1 1 -11 4  46 o 84.49483 19.96955 241.9089       97.38110 313.1743       137.5463 170.2870       137.8897 93.43518 24.72154 71.13732 25.73121 22.29786       35.68263 
1 1 1 -11 4  47 o 161.2197 11.77561 800.2612       110.5724 710.1270       146.7718 918.5565       168.1439 147.9041 17.24352 168.3560 17.27425 -20.45189      24.40777 
1 1 1 -11 4  48 o 113.1226 17.09431 419.6978       109.8757 590.2538       156.2545 252.8748       154.5351 131.2045 21.01549 81.50607 27.38264 49.69848       34.51753 
1 1 1 -11 4  49 o 39.12433 18.52861 -96.40402      113.2552 -63.92322      155.3540 -133.2467      165.4570 48.68548 22.61642 46.22055 22.03336 2.464935       31.57485 
1 1 1 -11 4  50 o 90.08644 23.26381 297.6563       123.7620 294.8096       165.6337 301.2545       186.2216 85.66171 28.33884 85.33075 30.00643 0.3309631      41.27319 
1 1 1 -11 5  1  o 543.7455 13.89450 8698.518       442.7240 8544.096       613.1793 8866.686       639.8870 538.0399 19.46430 548.0284 19.94226 -9.988525      27.86670 
1 1 1 -11 5  2  o 218.2554 11.12393 1402.821       141.9184 1177.170       182.0022 1752.854       226.6794 199.4152 15.68833 243.5519 15.95765 -44.13666      22.37790 
1 1 1 -11 5  3  o 915.7963 17.47807 24693.18       938.7345 24941.29       1631.370 24570.36       1147.803 916.1577 30.40421 912.5840 21.44589 3.573608       37.20675 
1 1 1 -11 5  4  o 496.0479 12.88492 7235.651       374.5311 6974.816       510.6010 7539.440       551.0419 486.3806 17.93077 505.6052 18.61507 -19.22455      25.84634 
1 1 1 -11 5  5  o 442.4679 8.716959 5746.242       226.2025 5746.631       317.4162 5745.840       322.4402 442.1158 12.25354 442.0669 12.44925 0.4885864E-01  17.46806 
1 1 1 -11 5  6  o 878.5618 14.56000 22689.23       750.2124 22427.81       1051.190 22960.59       1071.009 872.4381 20.54453 882.7100 20.68828 -10.27185      29.15617 
1 1 1 -11 5  7  o 90.25289 13.92846 244.9355       71.35518 293.7594       92.17474 171.9202       112.7205 98.62196 16.52004 76.20292 23.16880 22.41904       28.45532 
1 1 1 -11 5  8  o 396.7782 8.158748 4619.696       189.8549 4557.633       265.6400 4684.501       271.4450 393.8028 11.51412 399.2438 11.60524 -5.441010      16.34798 
1 1 1 -11 5  9  o 449.0428 8.657116 5917.226       227.9877 5725.400       315.6935 6126.327       329.6028 441.3747 12.20745 456.5692 12.32057 -15.19449      17.34411 
1 1 1 -11 5  10 o 796.8957 13.31936 18654.40       622.4941 19217.74       900.4758 18138.78       861.4966 808.1101 18.99989 785.1393 18.70925 22.97076       26.66518 
1 1 1 -11 5  11 o 382.1700 8.080341 4285.647       181.1077 4322.796       258.3026 4249.725       254.0013 383.5234 11.49680 380.2722 11.40202 3.251221       16.19205 
1 1 1 -11 5  12 o 362.5075 8.064893 3856.063       171.4613 3692.926       239.0934 4028.790       246.0207 354.4474 11.51707 370.2440 11.34347 -15.79654      16.16531 
1 1 1 -11 5  13 f 355.7765 8.223379 3714.391       171.5845 3560.496       240.2808 3874.528       245.1055 347.9975 11.79017 363.0568 11.52600 -15.05936      16.48808 
1 1 1 -11 5  14 o 670.6624 11.68665 13209.50       459.6682 13101.05       648.4819 13319.02       651.6677 667.3936 16.56782 672.9295 16.51224 -5.535950      23.39117 
1 1 1 -11 5  15 o 264.4934 8.604052 2055.341       133.2877 1994.721       187.4640 2117.316       189.5479 260.2938 12.31507 268.2100 12.08119 -7.916229      17.25156 
1 1 1 -11 5  16 o 707.4189 12.17918 14702.04       505.2955 14533.89       711.2417 14873.39       717.9977 702.7076 17.25806 710.8731 17.22187 -8.165466      24.38101 
1 1 1 -11 5  17 o 793.9122 15.44937 18542.04       719.3392 19192.39       905.5082 17429.55       1184.312 807.0267 19.13172 766.9432 26.36932 40.08350       32.57858 
1 1 1 -11 5  18 o 774.8934 13.06185 17652.03       593.6047 17355.68       829.3309 17963.35       850.0191 767.4092 18.42682 780.6991 18.56498 -13.28986      26.15733 
1 1 1 -11 5  19 o 714.3884 12.15736 15002.80       509.3591 14923.46       719.8071 15082.38       720.8793 711.5999 17.24764 715.3924 17.18176 -3.792480      24.34531 
1 1 1 -11 5  20 o 256.0923 11.60684 1932.119       173.8724 2010.455       282.9371 1884.585       220.3996 260.3064 18.65711 252.5267 14.94860 7.779617       23.90707 
1 1 1 -11 5  21 o 127.9192 9.769570 483.6363       72.73835 526.8066       103.1207 440.8874       102.6163 133.1055 13.39170 121.4536 14.70554 11.65196       19.88946 
1 1 1 -11 5  22 o 215.4056 7.269476 1363.984       91.70393 1402.772       132.7839 1328.613       126.8008 218.1713 10.40762 212.3329 10.21244 5.838409       14.58123 
1 1 1 -11 5  23 o 311.7957 9.792380 2861.571       178.8423 2663.312       239.9856 3109.192       268.2026 300.2438 13.66471 324.3708 14.13234 -24.12701      19.65827 
1 1 1 -11 5  24 o 69.50253 15.55514 148.3869       61.82012 74.22025       88.65218 218.5901       86.25096 55.92051 20.56918 84.31228 17.99145 -28.39177      27.32734 
1 1 1 -11 5  25 o 327.9929 7.403130 3161.180       142.4067 3233.097       207.8594 3097.564       195.4957 331.1566 10.71662 324.2014 10.29491 6.955292       14.86039 
1 1 1 -11 5  26 o 186.9120 6.998780 1027.988       76.58476 959.2720       213.8738 1038.095       82.02381 178.1052 20.87071 187.7860 7.462631 -9.680771      22.16478 
1 1 1 -11 5  27 o 323.8951 6.741151 3082.793       128.0528 2937.153       301.0803 3114.955       141.4874 314.1185 16.40005 325.5088 7.411472 -11.39026      17.99698 
1 1 1 -11 5  28 o 166.3508 9.864247 818.2230       95.80431 0.000000       0.000000 818.2230       95.80431 ?        ?        166.3508 9.864247 0.000000       9.864247 
1 1 1 -11 5  29 o 45.75440 17.14521 46.90034       62.12859 -305.4484      187.8260 90.18840       65.83449 46.05756 22.33604 55.61238 17.83011 -9.554813      28.57991 
1 1 1 -11 5  30 o 83.93952 14.36665 214.5242       68.18365 256.3155       210.7073 209.6363       72.06081 93.80888 31.97173 82.75321 15.41490 11.05566       35.49381 
1 1 1 -11 5  31 o 32.37156 15.25360 -82.01605      74.98566 -343.5283      231.7814 -51.44536      79.24744 52.28351 25.22296 36.45384 16.64790 15.82967       30.22168 
1 1 1 -11 5  32 o 294.0092 7.346826 2542.038       126.6809 2892.265       338.7933 2485.112       136.5888 310.6699 18.68082 290.5092 8.024555 20.16077       20.33142 
1 1 1 -11 5  33 o 233.9420 7.661127 1611.921       104.9700 1347.513       271.7286 1658.300       113.8045 210.3137 22.37310 237.2132 8.192614 -26.89948      23.82592 
1 1 1 -11 5  34 o 220.0392 7.966002 1427.357       102.6298 1550.765       269.9684 1406.510       110.9604 226.0776 20.58685 218.3150 8.683633 7.762634       22.34332 
1 1 1 -11 5  35 o 165.3543 8.731705 808.4427       84.37679 836.9844       114.2501 774.1973       125.1465 167.7170 11.68842 160.9035 13.38285 6.813461       17.76850 
1 1 1 -11 5  36 o 228.9830 7.496257 1546.242       100.5339 1575.246       141.9688 1517.067       142.3851 230.4964 10.52996 226.1342 10.76705 4.362152       15.06020 
1 1 1 -11 5  37 o 63.68017 20.14959 122.1851       84.30209 105.8173       117.3048 139.6680       121.2347 64.33976 23.66172 69.95157 24.23666 -5.611809      33.87171 
1 1 1 -11 5  38 o 130.2294 12.06012 508.7198       91.06471 522.5626       128.9069 494.9291       128.6634 130.5214 17.26292 126.7979 17.79059 3.723473       24.78939 
1 1 1 -11 5  39 o 59.47501 20.91296 98.82385       90.45395 165.1252       127.0636 30.70176       128.7964 73.82317 24.82996 55.99236 23.42154 17.83081       34.13349 
1 1 1 -11 5  40 o 161.6759 9.834237 780.1511       92.80632 881.0826       136.1249 692.4907       126.8603 170.4832 13.73066 150.7145 14.53224 19.76869       19.99293 
1 1 1 -11 5  41 f 117.0513 13.55022 419.7375       91.30326 373.4450       126.1049 470.7418       132.3672 107.3373 20.78339 121.6095 19.19540 -14.27219      28.29157 
1 1 1 -11 5  42 o 89.51652 23.46594 270.1892       124.6729 0.000000       0.000000 270.1892       124.6729 ?        ?        89.51652 23.46594 0.000000       23.46594 
1 1 1 -11 5  43 o 117.6587 13.26375 426.3681       89.93220 370.9937       126.0050 483.8634       128.3953 105.9826 21.01486 122.9045 18.37602 -16.92197      27.91599 
1 1 1 -11 5  44 o 46.56627 19.70494 20.96610       92.84273 3.743325       131.6558 38.00364       130.9460 51.79232 22.69178 55.06220 23.35533 -3.269878      32.56361 
1 1 1 -11 5  45 o 79.33414 19.96872 212.0667       92.82820 331.2423       135.3924 106.3489       127.5189 97.19758 23.91698 62.23059 24.25034 34.96699       34.06025 
1 1 1 -11 5  46 o 59.60054 21.85920 108.2526       100.0039 -31.88250      142.1805 245.4556       140.6852 49.83503 22.57837 82.19640 26.03249 -32.36138      34.45973 
1 1 1 -11 5  47 o 86.59792 20.55092 258.4947       102.7964 261.6306       137.6206 254.5367       154.6102 84.18954 25.60086 82.32356 27.38444 1.865982       37.48748 
1 1 1 -11 5  48 o 151.8473 12.75139 718.8438       112.5093 825.5615       159.2749 612.5608       158.9500 158.9299 17.37053 133.6978 20.95987 25.23201       27.22226 
1 1 1 -11 5  49 o 77.52535 23.34983 219.9469       114.8678 211.8947       161.0998 228.2743       163.8298 75.06254 27.70757 77.13285 28.02638 -2.070313      39.41050 
1 1 1 -11 5  50 o 72.36786 24.93689 193.3959       128.2723 163.6989       181.2800 223.1747       181.5291 69.75884 28.33514 76.08584 29.12331 -6.326996      40.63308 
1 1 1 -11 6  1  o 338.9946 10.91905 3378.291       216.8011 3356.222       292.3696 3405.249       323.1407 337.5290 14.80569 339.8295 16.26080 -2.300507      21.99141 
1 1 1 -11 6  2  o 1099.553 20.74312 35640.89       1337.645 33303.08       2184.447 37043.41       1691.964 1057.056 35.28597 1119.376 25.77299 -62.31946      43.69607 
1 1 1 -11 6  3  o 416.4306 11.58077 5097.308       282.5587 5133.413       394.0741 5059.104       405.3615 417.4391 16.12694 414.3312 16.71617 3.107849       23.22733 
1 1 1 -11 6  4  o 341.0458 9.017006 3416.336       180.1957 3358.030       287.0927 3454.237       231.4682 337.6751 14.53083 342.7556 11.53121 -5.080566      18.55030 
1 1 1 -11 6  5  o 436.1584 8.701821 5583.121       222.5896 5414.681       307.3803 5768.839       322.7611 429.1785 12.22448 442.9841 12.43576 -13.80557      17.43806 
1 1 1 -11 6  6  o 1111.188 18.12074 36333.85       1180.902 35962.38       1655.016 36719.13       1685.497 1103.589 25.57079 1115.078 25.77343 -11.48938      36.30613 
1 1 1 -11 6  7  o 560.2576 10.07344 9214.010       330.9909 9472.148       477.3524 8974.975       459.3500 567.5668 14.35225 552.4786 14.18853 15.08820       20.18171 
1 1 1 -11 6  8  o 361.5789 7.947923 3836.172       168.5416 3890.490       237.3389 3780.916       239.3819 363.8505 11.13543 358.6668 11.39465 5.183716       15.93223 
1 1 1 -11 6  9  o 603.1189 10.60417 10678.42       375.0852 10717.86       532.2663 10639.51       528.6534 603.8951 15.02854 601.6880 14.98129 2.207153       21.22018 
1 1 1 -11 6  10 o 685.8976 11.75126 13814.41       472.7096 13770.34       666.4275 13859.04       670.6168 684.3374 16.60474 686.5322 16.65570 -2.194824      23.51871 
1 1 1 -11 6  11 o 380.2207 8.121826 4242.108       181.1090 4402.590       261.3288 4093.798       251.2235 387.0443 11.52551 373.2143 11.49130 13.83002       16.27536 
1 1 1 -11 6  12 f 480.6093 9.287426 6779.484       261.7810 6854.555       375.9230 6708.806       364.7579 482.8535 13.28759 477.7123 13.03148 5.141174       18.61127 
1 1 1 -11 6  13 o 550.8862 10.13014 8908.995       327.2862 8828.713       464.4886 8988.156       461.2337 547.8914 14.46806 552.8458 14.23731 -4.954346      20.29842 
1 1 1 -11 6  14 o 304.1780 10.92667 2720.328       194.6077 3115.448       274.7213 2322.346       275.7149 325.2469 14.43818 280.4680 16.83958 44.77890       22.18180 
1 1 1 -11 6  15 o 374.9010 8.548009 4125.106       187.9456 4344.053       276.0157 3935.833       256.6319 384.3488 12.26066 365.8496 11.97687 18.49924       17.13969 
1 1 1 -11 6  16 f 755.2686 12.83275 16762.67       568.4230 16434.48       794.0659 17107.57       814.0494 747.0530 18.12403 762.1821 18.21132 -15.12915      25.69305 
1 1 1 -11 6  17 o 799.2677 15.53620 18795.62       728.2621 19249.33       910.2596 17988.70       1213.931 808.1451 19.20549 778.9730 26.61089 29.17218       32.81753 
1 1 1 -11 6  18 f 531.8252 9.724499 8306.018       303.3100 8098.893       425.4615 8520.068       432.5156 524.5789 13.84135 538.0726 13.71717 -13.49371      19.48702 
1 1 1 -11 6  19 f 209.9403 7.856987 1295.669       96.56849 1321.761       141.1268 1272.696       132.4251 211.7584 11.40575 207.8266 10.90285 3.931763       15.77857 
1 1 1 -11 6  20 o 695.6834 11.89541 14232.88       485.3350 14241.57       689.4619 14224.35       683.3140 694.8760 16.91813 694.4893 16.77661 0.3867188      23.82599 
1 1 1 -11 6  21 o 300.9515 7.431785 2659.311       131.1717 2676.868       190.4871 2643.478       180.8940 301.5387 10.78879 299.7016 10.30698 1.837036       14.92085 
1 1 1 -11 6  22 o 325.1082 7.421593 3103.927       141.5062 3033.064       203.3900 3170.409       197.0028 320.9311 10.82154 328.1956 10.24759 -7.264526      14.90365 
1 1 1 -11 6  23 o 163.6225 8.604020 789.0015       82.27467 684.0679       123.7833 872.0476       110.1195 151.6367 14.07980 171.7850 10.98782 -20.14825      17.85981 
1 1 1 -11 6  24 f 206.7150 7.150419 1256.766       86.55647 1210.977       124.4324 1299.694       120.4819 202.5566 10.51052 209.9491 9.812061 -7.392441      14.37872 
1 1 1 -11 6  25 o 431.1428 7.546733 5462.896       190.8229 5316.844       449.1048 5495.072       210.7977 422.7368 18.15687 432.3086 8.314219 -9.571869      19.96993 
1 1 1 -11 6  26 o 52.80254 17.38086 79.29385       62.33172 119.9707       193.5853 74.58890       65.83796 76.98610 29.91322 52.24403 17.87011 24.74207       34.84454 
1 1 1 -11 6  27 o 75.07919 15.06621 172.8975       64.03112 309.7614       209.6158 158.8122       67.24532 100.6182 31.76481 71.73933 16.34828 28.87885       35.72491 
1 1 1 -11 6  28 o 199.1913 8.619120 1170.003       100.4511 1625.405       243.8894 1076.968       110.2354 232.8808 17.99654 190.9213 9.878606 41.95952       20.52954 
1 1 1 -11 6  29 o 403.5547 7.416955 4789.302       175.5410 4890.630       421.3085 4768.015       193.1008 404.6808 17.79510 402.5322 8.179619 2.148621       19.58498 
1 1 1 -11 6  30 o 280.8137 6.934387 2318.178       114.2028 2225.357       291.4911 2335.010       124.1260 272.5098 18.34555 281.6697 7.520748 -9.159851      19.82728 
1 1 1 -11 6  31 o 176.6432 8.895607 921.0342       91.85928 651.7023       257.6082 960.2695       98.32274 142.8917 31.58140 180.3175 9.329206 -37.42584      32.93052 
1 1 1 -11 6  32 f 282.4827 7.425495 2348.438       122.9111 2628.268       325.9168 2302.041       132.7100 296.0108 18.87193 279.5797 8.102255 16.43112       20.53768 
1 1 1 -11 6  33 o 270.1296 7.453529 2148.280       117.9694 1546.682       294.5675 2263.200       128.7448 225.3201 22.59587 277.1946 7.927585 -51.87448      23.94618 
1 1 1 -11 6  34 o 255.0943 7.646177 1917.139       114.2629 1944.214       293.4681 1912.301       124.0520 253.5325 19.89608 254.6632 8.317064 -1.130692      21.56450 
1 1 1 -11 6  35 f 163.1909 9.419674 788.6877       89.77032 565.8481       251.6563 821.1779       96.09202 131.2809 32.78577 166.4468 9.888330 -35.16597      34.24450 
1 1 1 -11 6  36 o 42.14286 17.77513 7.773253       75.14665 -4.066908      96.36607 26.14486       120.0381 45.86699 19.75796 54.38128 22.66914 -8.514290      30.07103 
1 1 1 -11 6  37 o 93.86497 15.93297 271.1078       84.57756 186.9724       119.0289 356.9088       120.2012 77.56306 23.85201 106.8595 19.91227 -29.29646      31.07116 
1 1 1 -11 6  38 o 245.7009 7.857943 1783.359       113.0856 1715.192       152.8226 1865.862       168.1247 240.1441 10.87914 250.2914 11.48402 -10.14734      15.81892 
1 1 1 -11 6  39 o 317.2499 7.193586 2970.009       133.8436 2977.869       188.2212 2961.969       190.3638 316.5297 10.15233 315.6217 10.29790 0.9079895      14.46086 
1 1 1 -11 6  40 f 242.2456 7.614871 1737.636       108.0511 1734.139       145.8970 1741.885       160.8028 241.0186 10.34565 241.0997 11.40458 -0.8111572E-01 15.39795 
1 1 1 -11 6  41 o 82.67214 17.73234 218.9057       83.39756 212.0255       114.3347 226.7284       121.9137 80.04868 23.08597 82.52425 23.85067 -2.475571      33.19362 
1 1 1 -11 6  42 o 153.9955 10.15655 712.9653       91.21645 695.3367       128.5999 730.8149       129.4030 150.0257 14.80877 153.9946 14.49870 -3.968872      20.72468 
1 1 1 -11 6  43 f 105.8231 15.84902 353.1689       95.34014 275.4083       134.5440 431.5973       135.1205 89.28947 24.80676 114.4910 20.89291 -25.20152      32.43284 
1 1 1 -11 6  44 o 99.02550 16.53270 314.2005       92.63271 472.5596       132.4183 162.4378       129.6310 120.1262 19.46102 70.55607 25.01522 49.57010       31.69373 
1 1 1 -11 6  45 o 153.2032 11.42907 716.8943       101.9504 769.6046       144.2076 664.2249       144.1516 155.8749 16.00167 143.7222 17.45965 12.15273       23.68318 
1 1 1 -11 6  46 o 92.14580 19.80875 286.9312       103.8629 277.3200       141.1384 298.2841       153.3945 87.05351 25.80327 89.52467 26.98717 -2.471153      37.33786 
1 1 1 -11 6  47 o 68.49963 22.41660 162.4493       103.7450 64.80332       143.3130 269.9586       150.3770 58.10236 24.52898 84.62575 26.92769 -26.52338      36.42487 
1 1 1 -11 6  48 o 193.9361 10.37059 1147.751       117.5251 1187.904       168.6845 1109.875       163.8328 193.2765 14.99877 186.7034 15.09079 6.573074       21.27663 
1 1 1 -11 6  49 o 54.49537 22.44629 67.93000       115.7488 196.2850       165.0965 -56.15263      162.3256 73.12914 27.82671 50.14119 23.23241 22.98795       36.25011 
1 1 1 -11 6  50 o 92.64231 24.09210 319.7466       132.1089 270.5779       194.7347 361.6703       179.8161 81.15743 30.36596 93.53088 29.40606 -12.37345      42.27065 
1 1 1 -11 7  1  o 785.2538 18.61063 18152.25       857.0803 17897.33       1194.011 18423.22       1231.026 777.8057 26.21245 789.0496 26.64008 -11.24396      37.37360 
1 1 1 -11 7  2  o 223.0536 10.34544 1463.821       134.9660 1388.552       171.4091 1586.619       218.9394 216.9644 13.53831 231.7069 16.21376 -14.74249      21.12278 
1 1 1 -11 7  3  o 876.5204 16.79332 22598.95       863.2750 22808.72       1496.531 22494.34       1056.834 877.3937 29.12347 873.8040 20.62255 3.589722       35.68566 
1 1 1 -11 7  4  o 547.6378 13.78174 8817.808       442.2855 8694.144       613.1852 8951.918       638.5585 543.0911 19.28227 551.0172 19.79206 -7.926147      27.63208 
1 1 1 -11 7  5  o 308.0120 7.729664 2785.470       139.5197 2856.593       194.6199 2710.274       200.1161 311.7487 10.66035 303.6080 11.25826 8.140656       15.50457 
1 1 1 -11 7  6  o 899.3387 14.86755 23770.52       784.1751 23776.46       1108.442 23764.58       1109.541 898.4455 21.03636 898.2161 21.06261 0.2294312      29.76847 
1 1 1 -11 7  7  o 135.2650 9.867516 539.8904       77.74032 501.6302       101.3455 594.5883       121.1760 129.9813 13.49049 141.4736 14.82452 -11.49225      20.04394 
1 1 1 -11 7  8  o 537.2207 9.810248 8471.035       309.0888 8450.827       437.0763 8491.252       437.1589 536.1442 13.91208 537.4289 13.88134 -1.284668      19.65293 
1 1 1 -11 7  9  o 388.1338 8.228246 4420.520       187.3006 4282.029       260.2129 4569.419       269.8141 381.7015 11.63756 394.3108 11.68031 -12.60928      16.48825 
1 1 1 -11 7  10 o 248.0656 7.911009 1807.453       114.9459 1894.267       162.8210 1721.198       162.2963 253.7727 10.96582 241.8421 11.47537 11.93053       15.87241 
1 1 1 -11 7  11 o 801.3291 13.49401 18865.15       634.1653 18661.52       891.9733 19073.30       901.7979 796.2408 19.10103 804.9778 19.10182 -8.736938      27.01350 
1 1 1 -11 7  12 o 267.4375 8.181510 2100.787       128.1726 2103.103       179.0445 2098.352       183.5670 267.3743 11.44449 267.0484 11.74948 0.3259583      16.40203 
1 1 1 -11 7  13 o 737.5873 12.61970 15981.51       545.8998 16302.99       785.9998 15681.93       758.7584 744.2858 18.00662 730.0128 17.72240 14.27301       25.26503 
1 1 1 -11 7  14 o 964.3901 15.94546 27353.75       901.8625 27391.33       1279.132 27316.60       1271.752 963.6020 22.63431 962.3122 22.53388 1.289795       31.93881 
1 1 1 -11 7  15 o 690.2628 11.96409 13996.62       484.3339 13646.02       675.2208 14368.18       695.1154 680.9591 16.90730 698.7371 16.96261 -17.77802      23.94967 
1 1 1 -11 7  16 o 766.4598 12.98661 17265.41       583.7617 17112.57       822.7662 17420.35       828.3899 762.1956 18.40600 769.0266 18.36720 -6.830933      26.00259 
1 1 1 -11 7  17 o 271.7441 8.860437 2170.169       141.0213 2264.255       179.2906 2017.528       228.3657 277.4137 11.04199 261.4547 14.95545 15.95898       18.59008 
1 1 1 -11 7  18 o 489.3211 9.220658 7030.963       264.6101 7060.005       380.1483 7003.667       368.5515 489.7898 13.24621 487.8766 12.89194 1.913269       18.48417 
1 1 1 -11 7  19 o 349.5269 9.167542 3590.612       187.7626 3744.818       237.9656 3336.246       305.6271 356.7418 11.38850 336.1808 15.54338 20.56100       19.26901 
1 1 1 -11 7  20 o 620.5922 10.84040 11322.05       394.5500 11154.89       555.8335 11491.82       560.1473 615.0134 15.42241 624.4511 15.29513 -9.437744      21.72077 
1 1 1 -11 7  21 o 307.5161 7.402991 2776.740       133.5136 2762.669       193.1829 2789.607       184.7339 306.3206 10.77006 307.8711 10.24548 -1.550476      14.86486 
1 1 1 -11 7  22 o 56.94815 16.77940 97.34123       59.82912 40.01415       83.90614 156.6364       85.33424 49.45756 19.55092 71.59359 19.70452 -22.13603      27.75800 
1 1 1 -11 7  23 o 92.79546 12.11051 257.9296       64.33714 300.2284       95.08894 222.2169       87.37290 99.38573 16.91945 85.03038 18.07791 14.35535       24.76042 
1 1 1 -11 7  24 o 171.9052 7.359927 869.8422       74.02982 853.3666       234.2186 871.6708       78.02999 167.0972 24.63869 172.0505 7.753044 -4.953369      25.82973 
1 1 1 -11 7  25 o 487.1459 8.192391 6977.609       234.0563 6833.634       533.7187 7011.891       260.4351 478.9099 19.04033 488.1885 9.096231 -9.278595      21.10155 
1 1 1 -11 7  26 o 34.05627 14.97102 -15.17839      57.74117 131.0310       206.4665 -27.58394      60.14090 79.67108 30.91019 33.21438 14.89783 46.45670       34.31305 
1 1 1 -11 7  27 o 160.5926 7.694562 760.1612       72.25945 798.3001       221.7280 755.6293       76.43212 161.0858 24.21885 160.0598 8.169244 1.025940       25.55952 
1 1 1 -11 7  28 o 357.8017 7.141037 3763.923       149.8491 3899.431       372.4576 3737.753       163.6806 361.3822 17.62673 356.4616 7.829500 4.920593       19.28737 
1 1 1 -11 7  29 o 401.0353 7.548600 4730.237       177.5414 4591.459       418.7676 4760.648       196.0310 391.8766 18.27135 402.1951 8.310695 -10.31857      20.07261 
1 1 1 -11 7  30 o 523.7812 8.661820 8076.347       266.0784 8816.107       654.9280 7930.106       291.1931 541.9614 20.64284 518.7944 9.570513 23.16693       22.75349 
1 1 1 -11 7  31 o 177.4653 9.081606 929.8637       94.20631 359.5574       267.9799 1010.282       100.6293 108.7169 36.04908 184.9685 9.306225 -76.25158      37.23092 
1 1 1 -11 7  32 o 276.4704 7.486587 2249.833       121.2783 2609.599       331.2320 2194.135       130.3285 294.7745 19.26541 272.9289 8.151287 21.84564       20.91888 
1 1 1 -11 7  33 f 204.4207 8.394563 1232.601       100.4266 1060.746       285.5887 1256.851       107.2781 184.4381 27.21917 206.3529 8.885239 -21.91475      28.63268 
1 1 1 -11 7  34 o 311.1856 7.407650 2850.032       135.1919 2625.759       334.6862 2893.760       147.7850 294.9371 19.45767 313.3587 8.048181 -18.42160      21.05645 
1 1 1 -11 7  35 f 199.7516 8.520411 1178.699       99.58701 1189.995       271.6488 1176.945       107.0393 195.8085 24.16748 199.4863 9.173688 -3.677795      25.85002 
1 1 1 -11 7  36 o 175.8181 9.012955 915.0687       92.62531 918.1485       263.8305 914.6357       98.92210 169.8582 27.41770 175.6579 9.639243 -5.799744      29.06278 
1 1 1 -11 7  37 o 477.1163 7.958656 6714.515       222.6971 6573.127       307.1113 6871.302       323.4023 470.7563 11.12370 481.1473 11.46079 -10.39093      15.97142 
1 1 1 -11 7  38 o 176.1400 9.715727 921.6676       99.97657 1090.001       145.0993 769.5179       137.9481 190.6453 13.05624 159.4593 14.92419 31.18607       19.82919 
1 1 1 -11 7  39 f 143.2505 12.21912 617.4083       101.6775 694.6234       160.4554 565.5980       131.4351 149.6014 18.69504 135.4971 16.90666 14.10434       25.20595 
1 1 1 -11 7  40 o 147.2784 10.72592 650.8113       92.01041 578.4478       129.2662 725.1243       130.9958 136.7110 16.45276 154.0335 14.67803 -17.32245      22.04854 
1 1 1 -11 7  41 o 125.0811 12.08999 475.2314       87.58443 488.4438       123.8023 461.9930       123.9240 124.6037 17.41642 120.8396 18.03766 3.764099       25.07368 
1 1 1 -11 7  42 o 68.73924 20.62478 154.0098       89.74666 240.2045       127.7582 70.03826       126.0999 84.08568 24.44937 58.66231 23.70327 25.42337       34.05315 
1 1 1 -11 7  43 o 46.67881 19.38066 28.92536       87.23516 36.38647       120.4700 20.70019       126.4882 53.55180 22.54203 52.86844 22.70327 0.6833611      31.99347 
1 1 1 -11 7  44 o 56.97023 20.86209 94.27258       91.03370 124.2970       128.1864 63.72276       129.3031 64.92691 24.56260 57.46378 23.70213 7.463127       34.13374 
1 1 1 -11 7  45 o 66.66303 22.76722 146.8435       106.8581 -55.98090      158.7410 314.9111       144.5010 50.99791 23.39190 93.46867 25.60797 -42.47076      34.68356 
1 1 1 -11 7  46 o 83.86309 20.94313 242.4679       102.6904 150.5237       137.8780 357.0075       153.8902 68.10721 25.53722 98.40886 26.20075 -30.30165      36.58728 
1 1 1 -11 7  47 o 55.36660 21.63732 82.76185       101.7537 31.95574       141.5193 137.1388       146.4081 54.60903 23.73262 66.30842 25.94242 -11.69939      35.16030 
1 1 1 -11 7  48 o 32.30858 15.92680 -200.2887      107.8174 -302.2592      156.0329 -107.1118      149.1533 37.57656 18.63796 45.24721 21.37898 -7.670643      28.36255 
1 1 1 -11 7  49 o 52.43037 22.18440 48.22328       117.6600 141.3099       169.5451 -38.25560      163.4167 67.15123 27.35549 51.43891 23.64559 15.71232       36.15850 
1 1 1 -11 7  50 o 57.33383 23.52833 84.49104       126.5687 163.4471       182.3522 11.09286       175.8170 69.50455 28.34892 56.08635 25.28750 13.41821       37.98840 
1 1 1 -11 8  1  o 775.8207 18.40641 17711.61       837.4926 17820.10       1183.991 17602.96       1184.796 776.4146 26.03870 771.6214 26.21924 4.793152       36.95216 
1 1 1 -11 8  2  o 404.9419 11.49068 4818.849       272.6148 5293.766       392.9201 4378.029       378.5523 424.0467 15.82716 385.4725 16.78511 38.57416       23.07030 
1 1 1 -11 8  3  o 915.2193 17.46552 24638.84       937.4698 23547.24       1555.637 25261.33       1174.741 891.5952 29.79205 925.9416 21.63257 -34.34644      36.81758 
1 1 1 -11 8  4  f 623.5289 15.21698 11427.32       556.4621 11194.85       770.3431 11680.98       804.6927 616.0963 21.35217 629.2643 21.83762 -13.16803      30.54172 
1 1 1 -11 8  5  o 490.0495 10.57178 7049.836       303.8355 7303.405       518.9434 6917.574       374.7906 497.9671 17.79786 485.1042 13.18579 12.86285       22.15014 
1 1 1 -11 8  6  o 438.1666 8.753050 5634.114       224.9310 5626.045       316.6979 5642.327       319.5217 437.5161 12.35480 438.1417 12.44731 -0.6256104     17.53786 
1 1 1 -11 8  7  o 357.7986 8.001209 3756.383       167.8977 3723.839       234.7410 3790.470       240.2410 355.9587 11.25862 359.1208 11.42112 -3.162048      16.03741 
1 1 1 -11 8  8  o 530.0775 9.788547 8247.261       304.3043 8030.558       422.6716 8480.461       438.4654 522.6421 13.80157 537.0798 13.93198 -14.43768      19.61080 
1 1 1 -11 8  9  o 597.9832 10.65232 10497.67       373.5802 10766.99       537.6151 10246.20       519.4950 605.0638 15.16219 590.2563 15.01907 14.80756       21.34162 
1 1 1 -11 8  10 o 670.0914 11.64693 13185.48       457.7161 12990.18       642.2645 13387.03       652.4727 664.6456 16.47682 674.7202 16.48876 -10.07465      23.31019 
1 1 1 -11 8  11 o 917.5522 15.20111 24748.52       818.0060 24550.53       1150.358 24951.02       1163.423 912.7568 21.48956 920.1570 21.55883 -7.400208      30.43984 
1 1 1 -11 8  12 o 341.8889 8.560531 3432.519       171.5120 3455.923       245.6092 3410.243       239.6111 342.7981 12.23638 340.5399 12.01627 2.258209       17.14992 
1 1 1 -11 8  13 o 942.9058 15.64570 26144.44       865.1947 25313.29       1194.713 27061.04       1254.625 926.5289 21.98639 957.8968 22.33288 -31.36792      31.33942 
1 1 1 -11 8  14 o 157.6208 12.80762 734.7708       117.3754 812.4872       151.3860 617.6357       185.8544 165.4596 15.79201 142.9137 22.95099 22.54591       27.85921 
1 1 1 -11 8  15 o 544.8036 10.09701 8715.159       322.6140 8511.904       455.5764 8919.613       456.9166 537.8475 14.45591 550.6245 14.16092 -12.77704      20.23623 
1 1 1 -11 8  16 o 440.6387 8.778098 5699.695       226.8473 5705.916       326.0848 5693.861       315.7841 440.4460 12.63678 440.0205 12.24869 0.4255371      17.59883 
1 1 1 -11 8  17 o 636.6874 11.11438 11909.72       415.0134 11719.66       583.9814 12103.65       589.8984 630.7785 15.79842 641.2444 15.68567 -10.46594      22.26275 
1 1 1 -11 8  18 o 96.59030 12.96756 279.2695       71.60442 250.2278       99.10174 310.9917       103.5741 90.38322 19.28383 101.1849 18.11900 -10.80172      26.46061 
1 1 1 -11 8  19 o 703.0106 13.92965 14548.97       574.3181 14759.77       1024.315 14452.32       693.5966 704.6975 24.82327 700.0323 16.89423 4.665161       30.02682 
1 1 1 -11 8  20 o 428.6765 8.490645 5397.482       213.4622 5302.646       305.3068 5488.179       298.5682 424.3391 12.28089 431.7744 11.80168 -7.435394      17.03232 
1 1 1 -11 8  21 o 431.2833 8.436666 5464.429       213.3949 5442.098       306.9488 5485.318       296.8750 429.8011 12.18953 431.5777 11.73999 -1.776642      16.92371 
1 1 1 -11 8  22 o 367.3586 6.979734 3963.028       150.3764 3912.408       379.3235 3972.467       163.7973 363.1287 17.86628 367.7470 7.594638 -4.618347      19.41346 
1 1 1 -11 8  23 o 264.5361 6.599857 2055.078       102.3929 1921.559       299.5998 2072.736       108.9536 253.4464 20.32630 265.5539 7.001921 -12.10750      21.49850 
1 1 1 -11 8  24 o 41.25095 16.36579 26.89140       58.99197 372.2151       237.2897 4.142434       60.90409 109.9072 33.65496 37.92421 15.99936 71.98300       37.26441 
1 1 1 -11 8  25 o 629.3120 10.04144 11661.95       370.6059 11799.77       833.6875 11628.01       413.7335 627.2719 22.69936 628.0658 11.23221 -0.7939453     25.32634 
1 1 1 -11 8  26 o 251.1568 6.645553 1854.782       97.80132 1924.905       276.4962 1844.754       104.5609 253.5163 18.72880 250.4253 7.126604 3.091064       20.03887 
1 1 1 -11 8  27 o 416.9690 7.525408 5112.654       184.0282 4937.793       436.5632 5150.440       202.9400 406.5745 18.35600 418.3852 8.270675 -11.81073      20.13322 
1 1 1 -11 8  28 f 465.9825 8.091382 6389.023       221.1275 6187.229       501.7352 6437.668       246.3427 454.7953 18.85171 467.5687 8.983462 -12.77338      20.88275 
1 1 1 -11 8  29 o 246.4576 8.150909 1789.300       117.6524 2213.600       288.6038 1704.733       128.8447 271.8228 18.20865 240.4122 9.154907 31.41058       20.38056 
1 1 1 -11 8  30 o 55.21313 18.82159 84.27012       73.02364 51.89793       259.8843 87.04508       76.08912 79.05748 33.18318 56.18640 19.21121 22.87108       38.34311 
1 1 1 -11 8  31 o 346.2289 7.640059 3525.905       155.1353 4083.691       419.6292 3437.601       166.9642 369.0615 19.45599 341.7677 8.329941 27.29382       21.16420 
1 1 1 -11 8  32 o 279.2119 7.425950 2294.668       121.4929 2028.991       330.4624 2336.190       130.6422 258.7397 21.98552 281.6567 7.916697 -22.91693      23.36744 
1 1 1 -11 8  33 o 162.1912 9.619540 778.4770       91.09134 875.2200       286.5518 767.6019       96.07491 165.8109 30.59407 160.9541 10.23083 4.856781       32.25937 
1 1 1 -11 8  34 o 246.5855 7.664677 1791.991       110.7094 1590.806       300.1297 1823.677       119.1089 227.8468 22.76474 248.6723 8.178193 -20.82549      24.18917 
1 1 1 -11 8  35 o 125.7744 11.55880 472.5979       84.30925 168.5900       263.6220 507.2341       88.98250 87.77207 34.66785 130.2949 11.77149 -42.52280      36.61186 
1 1 1 -11 8  36 o 225.3790 8.298592 1500.442       109.5030 1059.731       288.0315 1574.902       118.3927 182.4178 27.80042 230.8154 8.761912 -48.39764      29.14849 
1 1 1 -11 8  37 o 134.8626 10.89226 542.7726       85.41857 640.2930       114.1798 418.8258       128.7239 145.9120 13.49570 115.9691 19.62567 29.94290       23.81808 
1 1 1 -11 8  38 f 246.0393 11.45735 1804.730       164.8713 0.000000       0.000000 1804.730       164.8713 ?        ?        246.0393 11.45735 0.000000       11.45735 
1 1 1 -11 8  39 o 124.5823 12.29593 468.6112       88.66968 535.1566       129.4917 409.8629       121.6692 131.5161 17.20034 114.2415 18.81396 17.27458       25.49150 
1 1 1 -11 8  40 o 315.9378 7.060988 2951.120       130.8331 2970.393       185.4005 2932.003       184.6537 315.5065 10.03239 313.4452 10.05793 2.061249       14.20601 
1 1 1 -11 8  41 o 80.86156 18.56675 211.5580       86.18802 262.7977       121.1554 159.0595       122.6346 88.63144 23.08301 71.07810 24.38679 17.55334       33.57888 
1 1 1 -11 8  42 o 170.8139 9.790168 875.6857       97.66547 800.6989       138.0457 950.8339       138.1941 160.9635 14.78843 176.2494 13.47148 -15.28583      20.00446 
1 1 1 -11 8  43 o 166.3746 10.11650 834.2313       98.24501 830.7712       135.2894 838.0919       142.9017 163.9080 14.21424 164.1526 15.00951 -0.2446899     20.67196 
1 1 1 -11 8  44 o 39.15374 17.85219 -41.49870      90.65695 -12.01368      122.6131 -77.05517      134.6467 48.55792 21.55855 45.58923 21.13575 2.968693       30.19091 
1 1 1 -11 8  45 o 36.82548 17.27100 -77.01770      94.17277 -170.6152      128.6000 31.21296       138.2879 38.53631 18.63906 54.86782 23.65217 -16.33151      30.11378 
1 1 1 -11 8  46 f 87.27129 20.33410 260.6461       102.1370 225.4855       140.0171 300.6332       149.3182 78.74441 26.05563 89.86993 26.51544 -11.12553      37.17478 
1 1 1 -11 8  47 o 124.6881 15.45043 498.7776       110.5683 283.4117       156.2708 714.6755       156.4637 86.00683 27.45962 146.8903 18.57703 -60.88351      33.15323 
1 1 1 -11 8  48 o 158.3892 12.65946 782.5817       116.6175 777.3373       170.5170 787.1902       159.8441 151.8084 19.60999 154.3217 17.99866 -2.513367      26.61772 
1 1 1 -11 8  49 o 96.97758 22.58267 339.0141       126.0340 288.2468       177.0874 391.1238       179.4134 84.25444 29.28674 98.08188 29.09751 -13.82744      41.28411 
1 1 1 -11 8  50 o 96.54105 22.70399 339.6775       126.3763 373.9826       179.4268 305.9052       178.0276 94.83695 29.30620 85.74186 29.38383 9.095093       41.50015 
1 1 1 -11 9  1  o 631.1451 15.42129 11708.03       570.8216 11579.30       793.3522 11846.21       821.9335 626.5994 21.62105 633.6996 22.14986 -7.100281      30.95296 
1 1 1 -11 9  2  o 334.0192 10.41744 3278.263       203.8222 3437.570       280.1604 3099.134       297.0794 341.7734 14.00681 324.3314 15.66459 17.44202       21.01357 
1 1 1 -11 9  3  o 457.6258 12.11504 6154.124       324.8655 6154.804       451.5819 6153.395       467.7004 457.1952 16.87057 457.0738 17.47962 0.1213989      24.29307 
1 1 1 -11 9  4  o 802.4226 15.50115 18925.38       729.4871 19395.11       1276.373 18697.51       888.9892 809.9772 26.90653 797.1064 19.01646 12.87079       32.94825 
1 1 1 -11 9  5  o 400.8567 9.425593 4716.012       221.5891 4622.044       356.1876 4775.342       283.0265 396.2641 15.35559 403.0853 11.98567 -6.821198      19.47948 
1 1 1 -11 9  6  o 272.6678 8.399152 2183.731       134.1534 2208.960       205.0279 2164.843       177.4000 273.9461 12.79673 271.3134 11.17280 2.632660       16.98787 
1 1 1 -11 9  7  o 782.0933 13.18651 17967.43       604.8378 17985.95       856.7310 17949.03       854.0152 781.8182 18.68479 781.0213 18.64456 0.7969360      26.39585 
1 1 1 -11 9  8  o 582.5186 10.53658 9961.536       359.9647 9904.945       508.0897 10018.56       510.0499 580.3427 14.94055 583.6671 14.91258 -3.324341      21.10936 
1 1 1 -11 9  9  o 258.8184 8.181347 1967.632       124.0294 1921.067       170.5725 2019.874       180.6708 255.5278 11.41083 262.0011 11.78822 -6.473236      16.40637 
1 1 1 -11 9  10 o 187.7290 9.309185 1036.924       102.1731 1026.110       137.2755 1050.354       152.9873 186.4796 12.62640 188.5538 13.93312 -2.074280      18.80313 
1 1 1 -11 9  11 o 278.8386 8.526600 2283.906       139.2736 2379.726       197.7389 2189.577       196.1953 284.4066 11.88118 272.7537 12.29662 11.65292       17.09880 
1 1 1 -11 9  12 o 792.8378 13.49090 18471.04       627.3007 18277.48       882.3248 18668.89       892.0292 787.8528 19.09558 796.2429 19.10218 -8.390076      27.00990 
1 1 1 -11 9  13 o 577.8832 10.59368 9805.879       359.0354 10012.46       518.1700 9615.111       497.9396 583.3317 15.15913 571.6696 14.86448 11.66211       21.23092 
1 1 1 -11 9  14 f 533.8947 10.02288 8369.278       313.8329 8025.705       437.3811 8733.879       450.5660 522.2821 14.29265 544.8766 14.11158 -22.59448      20.08523 
1 1 1 -11 9  15 o 443.8690 8.929610 5783.644       232.4544 5809.133       335.5483 5760.124       322.3304 444.3995 12.88813 442.5671 12.43088 1.832397       17.90617 
1 1 1 -11 9  16 o 632.0564 11.10827 11736.17       411.7683 11884.66       593.8597 11598.67       571.4435 635.2285 15.95318 627.7974 15.52041 7.431152       22.25729 
1 1 1 -11 9  17 o 336.2844 10.25134 3325.056       201.9438 3220.211       274.5284 3448.687       298.1103 330.5251 14.19534 341.9826 14.89930 -11.45743      20.57904 
1 1 1 -11 9  18 o 430.5235 8.661878 5442.964       218.7054 5235.185       309.6270 5649.857       308.9662 421.7124 12.53297 438.1747 12.03441 -16.46228      17.37534 
1 1 1 -11 9  19 o 314.2216 7.600541 2898.887       140.0654 2830.616       202.9545 2960.974       193.5452 310.0764 11.17869 317.2263 10.41722 -7.149994      15.28011 
1 1 1 -11 9  20 o 160.6498 8.335680 760.1033       78.26791 762.5290       111.6182 757.7569       109.7798 160.5407 11.94043 160.0541 11.77761 0.4866028      16.77158 
1 1 1 -11 9  21 o 96.92744 11.30770 280.1826       63.07331 400.7132       240.6944 271.2957       65.35722 114.0845 33.66605 95.25970 11.96166 18.82481       35.72792 
1 1 1 -11 9  22 o 323.8271 6.804988 3079.502       129.2383 2962.939       335.9853 3099.744       140.0106 315.7142 18.22322 324.8503 7.348981 -9.136108      19.64925 
1 1 1 -11 9  23 o 491.0436 8.349928 7088.253       240.4658 6814.808       552.8044 7152.069       267.0554 478.3719 19.74649 493.1127 9.234315 -14.74075      21.79900 
1 1 1 -11 9  24 o 281.5777 7.593937 2331.930       125.2908 1926.138       301.6164 2416.554       137.7366 253.4255 20.46736 286.5741 8.203691 -33.14859      22.05024 
1 1 1 -11 9  25 o 470.6928 8.046649 6514.910       222.1279 6381.171       521.7302 6544.519       245.4887 462.4076 19.28077 471.6187 8.875441 -9.211121      21.22549 
1 1 1 -11 9  26 o 236.5374 6.981999 1645.913       96.75079 1622.072       274.3072 1649.300       103.3957 232.0663 20.36071 236.7279 7.456666 -4.661591      21.68318 
1 1 1 -11 9  27 o 179.4729 7.580036 948.9460       79.60524 1144.885       249.0428 926.6481       84.01277 194.0004 22.29344 177.2889 8.101447 16.71147       23.71984 
1 1 1 -11 9  28 f 342.8546 7.088047 3456.036       142.5237 3194.937       370.1490 3501.485       154.4306 326.3375 19.42805 345.0297 7.631788 -18.69220      20.87327 
1 1 1 -11 9  29 o 415.4512 7.663989 5076.820       186.7349 5231.199       462.0205 5046.678       204.1524 418.0835 18.89170 414.0874 8.406436 3.996124       20.67764 
1 1 1 -11 9  30 o 355.6354 9.633663 3729.295       200.7460 0.000000       0.000000 3729.295       200.7460 ?        ?        355.6354 9.633663 0.000000       9.633663 
1 1 1 -11 9  31 o 229.6644 7.921237 1553.690       106.5336 1304.008       320.9378 1584.608       112.9373 205.2605 27.33953 231.8878 8.317887 -26.62726      28.57686 
1 1 1 -11 9  32 o 218.7468 7.957412 1410.072       101.9154 1383.275       302.3935 1413.506       108.2486 212.2231 24.76034 218.9455 8.445996 -6.722336      26.16122 
1 1 1 -11 9  33 o 212.9256 8.043513 1336.834       100.2635 1491.841       302.4610 1317.698       106.2723 220.4798 23.76605 211.3115 8.593169 9.168335       25.27188 
1 1 1 -11 9  34 o 157.7240 9.834018 737.4229       90.51344 813.0135       286.3586 729.0324       95.40473 158.3577 31.93677 156.7135 10.43991 1.644241       33.59984 
1 1 1 -11 9  35 o 141.8481 10.61488 598.6729       87.66535 377.5033       272.4041 624.2255       92.59115 108.8142 36.35256 144.7867 10.98611 -35.97252      37.97635 
1 1 1 -11 9  36 o 194.1675 8.870872 1115.552       100.7499 1527.821       306.5810 1065.639       106.6745 221.5701 23.97445 189.6131 9.624193 31.95700       25.83407 
1 1 1 -11 9  37 f 88.38324 22.39330 249.4286       116.1940 101.2709       290.1654 277.7231       126.8047 83.91178 35.13138 93.07955 23.28843 -9.167770      42.14931 
1 1 1 -11 9  38 o 206.5028 8.286093 1262.404       100.1483 1180.915       138.2117 1352.487       145.3174 198.7084 11.91455 212.7752 11.69009 -14.06685      16.69175 
1 1 1 -11 9  39 o 187.6063 8.723536 1045.509       95.71937 1139.038       140.0982 963.6263       131.0860 194.6111 12.33832 178.8504 12.57749 15.76074       17.61895 
1 1 1 -11 9  40 o 34.64299 16.24963 -77.57535      83.41226 -56.05868      117.1284 -99.71624      118.8152 44.63544 20.32850 41.66606 19.49551 2.969387       28.16599 
1 1 1 -11 9  41 o 118.4099 12.79880 428.8127       87.46987 457.0197       126.6989 403.1258       120.9064 119.6751 18.66014 112.0600 19.08011 7.615158       26.68804 
1 1 1 -11 9  42 o 63.41209 20.88839 127.2302       90.02179 271.9957       126.9544 -19.16879      127.6687 89.33229 23.80363 49.45435 21.97513 39.87794       32.39629 
1 1 1 -11 9  43 o 131.7749 13.52810 536.7466       103.0660 628.8400       150.8536 456.1255       141.1451 139.5249 18.92270 117.0739 21.34292 22.45109       28.52348 
1 1 1 -11 9  44 o 45.11032 19.35397 12.33488       91.76339 61.53143       127.8294 -39.97174      131.8081 56.86825 23.52219 47.78828 21.68605 9.079964       31.99341 
1 1 1 -11 9  45 o 67.34630 21.41286 152.9640       95.10471 201.3536       134.0203 103.8778       134.9816 75.68011 25.50082 62.28042 24.74073 13.39970       35.53021 
1 1 1 -11 9  46 o 41.14044 18.82026 -43.16364      101.8454 -66.02830      146.0312 -21.51009      142.1111 47.71943 22.08418 50.34626 22.71389 -2.626823      31.68015 
1 1 1 -11 9  47 o 38.76435 18.19703 -79.21439      104.9551 17.01237       149.8684 -171.8309      147.0301 54.28505 23.98093 41.50061 20.03783 12.78443       31.25060 
1 1 1 -11 9  48 o 49.57117 21.37500 26.89442       113.0041 36.25115       159.9507 17.57008       159.6736 56.76545 24.93683 55.20745 24.55103 1.557995       34.99426 
1 1 1 -11 9  49 o 113.1452 21.65857 451.2128       138.4868 485.1289       217.4351 428.0641       179.6344 105.8458 32.17798 103.2623 28.65430 2.583557       43.08702 
1 1 1 -11 10 1  f 746.1277 17.77064 16374.54       777.6188 17445.49       1147.033 15463.71       1057.815 768.4938 25.48509 723.5873 24.96429 44.90643       35.67500 
1 1 1 -11 10 2  o 454.0180 12.02313 6057.273       319.8592 5894.597       435.3961 6248.007       471.4506 447.4454 16.62070 460.5843 17.48501 -13.13885      24.12412 
1 1 1 -11 10 3  o 570.6563 14.14285 9567.854       473.3277 9821.089       676.2676 9324.671       662.7112 577.2553 20.00585 562.4424 20.12316 14.81287       28.37562 
1 1 1 -11 10 4  f 367.4359 10.59339 3966.621       228.0412 3754.467       304.3220 4238.301       344.3779 357.1536 14.55925 379.4150 15.50910 -22.26144      21.27214 
1 1 1 -11 10 5  o 371.6078 9.367461 4055.480       203.9910 4117.549       322.2696 4013.986       263.4976 374.0334 14.71998 369.5089 12.17572 4.524506       19.10304 
1 1 1 -11 10 6  o 669.6904 13.36322 13174.83       524.8508 13484.94       905.7877 13018.08       643.9777 675.9803 22.88065 665.3827 16.50246 10.59760       28.21091 
1 1 1 -11 10 7  o 895.7211 17.12957 23597.47       899.8491 22531.90       1491.009 24207.95       1128.550 872.3132 29.18563 906.5084 21.22747 -34.19519      36.08887 
1 1 1 -11 10 8  f 368.6138 8.564317 3987.458       185.1462 3975.229       260.5782 3999.927       263.1128 367.7099 12.09968 368.8453 12.17988 -1.135376      17.16834 
1 1 1 -11 10 9  o 86.46036 16.11569 226.8851       78.71216 271.5004       100.0505 154.4198       127.5094 94.40250 18.73248 74.51025 24.87091 19.89226       31.13628 
1 1 1 -11 10 10 o 373.5566 8.909601 4095.566       195.1934 4125.504       275.6409 4065.452       276.4513 374.5477 12.56613 371.7974 12.69695 2.750275       17.86393 
1 1 1 -11 10 11 o 212.1582 9.585886 1323.972       118.9650 1453.623       162.8722 1175.692       174.1804 222.0936 12.55546 199.4177 15.00312 22.67587       19.56357 
1 1 1 -11 10 12 o 638.0143 11.41710 11955.28       427.2054 11883.51       604.2972 12027.00       604.0224 635.3849 16.23001 639.2276 16.12478 -3.842651      22.87841 
1 1 1 -11 10 13 o 530.6716 11.52125 8271.827       358.5716 8595.818       456.9456 7752.584       578.4738 540.5162 14.42759 512.6161 19.27592 27.90009       24.07731 
1 1 1 -11 10 14 o 519.6246 9.774224 7927.897       297.8671 7691.166       416.8185 8174.965       425.8212 511.2832 13.91358 527.1460 13.78538 -15.86279      19.58633 
1 1 1 -11 10 15 o 215.0299 9.109301 1359.924       114.6171 1381.845       145.2557 1323.755       186.5812 216.5714 11.47717 211.5826 15.13617 4.988892       18.99550 
1 1 1 -11 10 16 o 574.1176 14.23761 9697.134       479.3894 9895.151       684.5071 9506.517       671.5952 578.6479 20.20132 567.1522 20.22335 11.49573       28.58456 
1 1 1 -11 10 17 o 109.1175 11.94687 354.2158       75.20557 347.0394       104.5593 361.9078       108.2502 107.1734 17.21810 109.4566 17.44839 -2.283226      24.51345 
1 1 1 -11 10 18 o 446.8744 13.11511 5881.612       343.3505 5806.943       512.4481 5942.440       462.5227 442.7919 19.78325 448.3945 17.62255 -5.602600      26.49399 
1 1 1 -11 10 19 o 418.9240 7.551132 5153.042       185.5230 5006.233       464.6240 5180.889       202.3546 410.9697 19.33126 420.0035 8.215037 -9.033813      21.00439 
1 1 1 -11 10 20 f 546.7329 8.971135 8783.864       287.6558 8861.948       671.1470 8766.293       318.3820 546.2037 20.99044 546.0548 9.941724 0.1489258      23.22577 
1 1 1 -11 10 21 o 210.0703 6.850129 1297.226       84.28162 1107.463       275.5573 1316.810       88.52396 190.9841 25.21724 211.6293 7.142616 -20.64522      26.20928 
1 1 1 -11 10 22 o 736.4019 11.40410 15971.67       492.5228 15492.83       1072.587 16099.61       554.4323 718.6169 25.49018 738.9286 12.79368 -20.31171      28.52065 
1 1 1 -11 10 23 o 56.33300 16.87038 95.04257       60.08942 -9.033528      236.2312 102.2424       62.13311 71.75648 30.92280 58.22776 17.08418 13.52872       35.32830 
1 1 1 -11 10 24 o 216.8921 7.927606 1384.866       100.6711 1620.814       315.1382 1358.052       106.2377 231.3572 23.55372 214.7215 8.452826 16.63567       25.02455 
1 1 1 -11 10 25 o 208.4720 9.197531 1281.779       112.1758 841.4803       267.1828 1375.999       123.5967 164.1962 28.79504 215.9329 9.785157 -51.73662      30.41223 
1 1 1 -11 10 26 o 235.4086 6.998601 1630.386       96.51652 1062.593       265.7679 1716.647       103.5889 186.0211 24.99245 241.5243 7.321559 -55.50320      26.04280 
1 1 1 -11 10 27 o 216.6434 7.411687 1381.807       94.03143 1202.954       270.6122 1406.367       100.2800 198.3898 23.72830 218.5112 7.837800 -20.12143      24.98927 
1 1 1 -11 10 28 o 170.5497 8.251295 857.9742       82.28735 798.5912       262.9633 864.4202       86.63847 159.2947 29.22435 171.1400 8.660095 -11.84528      30.48049 
1 1 1 -11 10 29 o 480.1169 8.384033 6784.224       236.0753 6982.847       578.0504 6744.464       258.6266 482.3423 20.48092 478.5264 9.215455 3.815887       22.45869 
1 1 1 -11 10 30 o 338.4847 7.483184 3369.440       148.5511 3516.851       402.6892 3346.219       159.8235 342.1709 20.15600 337.2353 8.080851 4.935638       21.71553 
1 1 1 -11 10 31 o 349.2258 7.499882 3587.197       153.6071 3719.014       412.9673 3566.031       165.4805 351.7584 20.10169 348.1051 8.105614 3.653351       21.67439 
1 1 1 -11 10 32 o 221.5658 7.945282 1446.808       103.0763 1181.147       307.3378 1480.477       109.4134 194.6186 27.70836 224.0754 8.340351 -29.45682      28.93640 
1 1 1 -11 10 33 o 33.87826 15.68906 -60.78911      73.88463 -239.5217      271.7605 -46.52356      76.77658 62.75569 29.40236 36.15345 16.46278 26.60223       33.69751 
1 1 1 -11 10 34 o 274.1719 7.596690 2215.681       122.0335 2076.212       323.8484 2238.762       131.7451 260.7965 21.36033 275.4880 8.163199 -14.69156      22.86704 
1 1 1 -11 10 35 o 63.84705 20.10835 122.7930       84.04784 0.000000       0.000000 122.7930       84.04784 ?        ?        63.84705 20.10835 0.000000       20.10835 
1 1 1 -11 10 36 o 133.4323 11.50814 532.1810       89.17766 422.6086       276.4363 544.9088       94.21473 113.1122 36.56140 134.9120 12.03360 -21.79982      38.49083 
1 1 1 -11 10 37 o 146.8018 11.55949 644.5477       98.71990 0.000000       0.000000 644.5477       98.71990 ?        ?        146.8018 11.55949 0.000000       11.55949 
1 1 1 -11 10 38 o 51.18866 21.66886 15.85321       112.3395 354.2420       299.8300 -39.40878      121.1659 104.4194 37.91856 47.45948 21.22713 56.95989       43.45582 
1 1 1 -11 10 39 o 56.84752 19.52842 93.93544       78.64584 168.6450       108.7184 11.92467       113.9070 72.80466 22.86172 50.70258 21.65365 22.10209       31.48871 
1 1 1 -11 10 40 o 214.9136 8.110056 1372.372       102.0372 1508.169       151.1095 1258.557       138.3393 223.8271 11.55048 204.4007 11.58765 19.42644       16.36115 
1 1 1 -11 10 41 f 94.13849 16.11160 279.9872       85.75601 247.5044       123.5784 310.1584       119.1002 85.57762 23.77395 96.77411 21.53922 -11.19649      32.08019 
1 1 1 -11 10 42 o 134.2905 12.13832 550.1990       94.56810 674.4671       130.6060 413.2464       137.1098 147.1578 15.35900 111.5327 21.74269 35.62511       26.62036 
1 1 1 -11 10 43 o 156.4255 10.87006 742.2858       99.10137 609.6978       137.6079 885.1468       142.8395 138.1678 17.36447 168.7122 14.57906 -30.54437      22.67319 
1 1 1 -11 10 44 o 80.19282 19.72185 216.1358       92.09914 224.4951       132.1226 208.2348       128.4507 79.76743 25.22340 77.20834 24.91974 2.559090       35.45721 
1 1 1 -11 10 45 o 52.13039 20.85733 61.70441       96.61421 -3.060070      144.2703 114.3658       130.0931 52.47913 23.33733 63.00877 24.51079 -10.52963      33.84390 
1 1 1 -11 10 46 o 59.54723 22.09970 108.9282       102.7352 169.2892       152.2485 58.46664       139.2052 70.79629 26.77206 57.05716 24.13559 13.73912       36.04539 
1 1 1 -11 10 47 o 60.31326 22.75423 112.5162       109.8318 247.8340       160.8046 -5.811425      150.3710 80.56138 27.91311 52.42788 23.53311 28.13350       36.50958 
1 1 1 -11 10 48 o 97.72360 21.06497 335.0177       117.1686 434.2975       169.9216 245.0227       161.7809 105.9200 27.21092 79.39071 27.96391 26.52931       39.01813 
1 1 1 -11 10 49 o 146.7034 15.51858 695.5881       131.4972 579.5012       188.1642 806.4024       183.8413 123.1256 26.81874 152.4063 21.13604 -29.28066      34.14640 
1 1 1 -11 11 1  o 1235.944 28.34984 45149.59       2054.943 44699.05       2878.692 45617.73       2934.364 1224.297 40.14631 1236.637 40.51424 -12.34058      57.03622 
1 1 1 -11 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 11 3  o 482.4251 12.51388 6839.914       353.7574 6629.466       482.5203 7084.489       520.1761 474.4461 17.37048 490.3876 18.11789 -15.94147      25.09964 
1 1 1 -11 11 4  o 700.1647 13.88793 14403.45       570.2802 14264.57       960.9645 14478.94       708.5333 695.1115 23.60657 701.6309 17.21873 -6.519348      29.21908 
1 1 1 -11 11 5  o 700.8223 13.91972 14431.02       572.1226 14209.40       958.7451 14553.59       712.9841 693.7399 23.59873 703.4151 17.28294 -9.675171      29.25064 
1 1 1 -11 11 6  o 157.1683 10.12400 728.1232       92.82205 770.4730       122.2217 670.4086       142.6806 161.4309 13.01992 150.0970 16.47917 11.33383       21.00194 
1 1 1 -11 11 7  o 739.7753 14.54248 16084.02       630.9413 15947.33       1067.305 16157.44       782.2630 734.6446 24.80758 741.0203 17.99998 -6.375732      30.64988 
1 1 1 -11 11 8  o 287.7066 9.149118 2431.940       154.1797 2351.899       222.2774 2506.160       214.0418 282.6080 13.44957 291.8271 12.53535 -9.219055      18.38548 
1 1 1 -11 11 9  f 520.2006 10.05364 7944.234       306.7217 7715.005       426.9228 8188.782       440.9576 512.1551 14.22716 527.6543 14.26249 -15.49921      20.14524 
1 1 1 -11 11 10 o 226.7982 9.221326 1512.311       122.3987 1384.410       165.4808 1666.809       181.8741 216.6746 13.08330 237.8212 13.09025 -21.14664      18.50749 
1 1 1 -11 11 11 o 159.2467 10.98394 748.2458       101.9555 701.9619       132.3991 815.6804       159.8124 153.8045 14.86291 165.6762 16.67403 -11.87172      22.33673 
1 1 1 -11 11 12 o 346.0755 8.828666 3517.817       179.0448 3691.429       262.3857 3366.536       244.9298 354.2187 12.65074 338.2767 12.36660 15.94193       17.69108 
1 1 1 -11 11 13 o 230.5833 10.36348 1564.496       139.7888 1722.163       190.4540 1380.357       205.8216 241.6723 13.49087 215.9615 16.37238 25.71072       21.21458 
1 1 1 -11 11 14 f 505.1635 9.621543 7493.079       285.0541 7552.417       410.8801 7438.016       395.7975 506.6136 13.84187 502.8099 13.43408 3.803711       19.28917 
1 1 1 -11 11 15 o 619.8027 12.64914 11293.53       459.7958 11782.49       585.8359 10509.17       741.9886 632.6304 15.78975 596.1454 21.25642 36.48499       26.47927 
1 1 1 -11 11 16 o 426.0884 11.55568 5340.365       288.4992 5643.935       417.4342 5062.768       399.1769 437.3774 16.30204 414.1884 16.46581 23.18896       23.17066 
1 1 1 -11 11 17 o 291.4744 13.19525 2505.013       224.9784 2273.435       375.0115 2635.224       281.2030 275.9773 23.38980 298.5742 16.11871 -22.59689      28.40590 
1 1 1 -11 11 18 o 428.7041 7.765250 5396.619       195.2377 5649.033       501.6602 5351.563       211.9475 436.5993 19.64218 426.8564 8.466346 9.742920       21.38911 
1 1 1 -11 11 19 o 501.0638 8.452864 7375.390       248.3976 7208.401       582.6751 7412.478       274.6002 492.8840 20.20005 502.2248 9.322926 -9.340759      22.24767 
1 1 1 -11 11 20 o 242.3726 6.661027 1726.085       94.59392 1484.612       303.5492 1752.057       99.55109 222.0473 23.67420 244.1683 6.959044 -22.12097      24.67582 
1 1 1 -11 11 21 o 434.1195 7.786877 5537.137       198.2545 5260.734       482.1605 5593.376       217.4907 420.5274 19.60395 436.2372 8.500949 -15.70975      21.36776 
1 1 1 -11 11 22 o 301.3471 6.799247 2667.334       120.1651 2326.615       338.1602 2716.575       128.5555 278.7656 20.83462 304.0846 7.208512 -25.31906      22.04640 
1 1 1 -11 11 23 o 116.2873 10.36861 401.3425       69.97276 459.8163       254.1236 396.5455       72.78637 120.7449 34.28909 115.5156 10.87165 5.229309       35.97130 
1 1 1 -11 11 24 o 257.1829 8.333356 1947.408       125.5275 0.000000       0.000000 1947.408       125.5275 ?        ?        257.1829 8.333356 0.000000       8.333356 
1 1 1 -11 11 25 o 452.2679 8.065082 6016.685       213.9218 5825.385       510.6023 6057.412       235.5955 441.1925 19.78383 453.6519 8.855103 -12.45944      21.67517 
1 1 1 -11 11 26 o 368.6652 7.335835 3996.303       158.6106 3632.726       401.0807 4063.702       172.6874 348.0548 19.72948 371.6777 7.922160 -23.62289      21.26060 
1 1 1 -11 11 27 o 257.5505 7.126010 1951.740       107.5330 1548.417       303.5820 2009.604       114.9884 225.5353 23.28592 261.2945 7.511456 -35.75917      24.46745 
1 1 1 -11 11 28 o 398.6449 7.651480 4674.334       178.8884 4296.990       425.7594 4755.231       197.1333 378.6968 19.23298 401.9604 8.362310 -23.26361      20.97226 
1 1 1 -11 11 29 o 26.98455 13.58244 -302.2246      97.73576 8.430739       267.6922 -350.0047      104.9831 76.89430 33.02443 27.14658 13.71475 49.74772       35.75901 
1 1 1 -11 11 30 o 262.4724 7.748725 2028.306       119.1485 1854.512       357.7841 2049.984       126.3612 246.2739 25.12298 263.8126 8.176968 -17.53864      26.42019 
1 1 1 -11 11 31 o 318.9039 7.959822 2992.823       148.8722 0.000000       0.000000 2992.823       148.8722 ?        ?        318.9039 7.959822 0.000000       7.959822 
1 1 1 -11 11 32 o 361.8774 7.622452 3854.014       161.7733 3906.232       426.2316 3845.226       174.8571 359.8713 20.27722 361.3527 8.250902 -1.481415      21.89162 
1 1 1 -11 11 33 o 74.52938 18.23347 173.1367       79.03263 452.5273       309.9275 153.7053       81.73477 118.5644 38.74165 70.35629 19.25281 48.20809       43.26183 
1 1 1 -11 11 34 o 56.87842 21.93131 68.12411       103.4640 -114.1687      324.1128 88.80798       109.1760 75.56493 34.17692 60.85458 22.74340 14.71035       41.05270 
1 1 1 -11 11 35 o 311.5582 7.654781 2860.926       139.8693 3042.073       387.6859 2833.820       149.9696 315.4291 21.07789 309.8416 8.260390 5.587494       22.63872 
1 1 1 -11 11 36 o 283.8476 7.735174 2377.798       128.6473 2981.577       368.4030 2293.947       137.2901 312.2662 20.22507 278.6313 8.411172 33.63489       21.90437 
1 1 1 -11 11 37 o 72.48620 19.28100 166.0031       83.38668 13.22123       316.2951 177.4153       86.44491 80.26924 35.17001 74.85756 19.49915 5.411682       40.21376 
1 1 1 -11 11 38 o 68.70914 18.90219 149.6431       78.54626 128.1694       298.1154 151.2450       81.42327 84.85784 35.57395 69.07272 19.33797 15.78512       40.49029 
1 1 1 -11 11 39 o 131.9927 10.78355 523.7281       82.74925 651.2025       115.8359 390.8812       118.2517 146.2534 13.66287 111.0388 18.83069 35.21452       23.26519 
1 1 1 -11 11 40 o 111.4831 13.59566 382.0242       87.05493 305.0606       121.3075 463.7500       125.0042 96.05647 22.00661 120.9668 18.18205 -24.91030      28.54607 
1 1 1 -11 11 41 o 47.94457 19.42864 39.61123       84.99638 157.0568       119.2976 -81.46885      121.1294 70.21336 24.05388 43.15514 20.02091 27.05822       31.29578 
1 1 1 -11 11 42 o 204.6158 8.687031 1251.391       104.0092 1114.284       141.1007 1414.535       153.9159 191.0288 12.66599 215.6072 12.22227 -24.57835      17.60146 
1 1 1 -11 11 43 o 108.2250 15.15674 369.8376       93.56802 361.0475       130.4090 379.1639       134.3283 102.9437 22.25010 105.4599 22.41021 -2.516228      31.57982 
1 1 1 -11 11 44 o 86.84678 19.25217 252.0677       95.48253 293.9416       142.4310 217.8893       128.6792 90.26138 25.68330 78.58503 24.89793 11.67635       35.77065 
1 1 1 -11 11 45 o 217.6974 9.363839 1430.126       119.2727 1434.796       170.4344 1425.643       166.9730 214.7319 13.60343 214.2669 13.35380 0.4649811      19.06246 
1 1 1 -11 11 46 o 59.51815 22.52943 106.8908       107.8799 5.383137       153.4328 206.1346       151.7122 53.94891 24.02430 75.35457 27.02421 -21.40566      36.15902 
1 1 1 -11 11 47 o 98.52673 20.34526 334.4547       113.6667 246.5911       163.2719 417.0899       158.3395 80.19439 28.10473 105.7332 25.77242 -25.53879      38.13258 
1 1 1 -11 11 48 o 39.28336 18.69942 -109.1112      118.2968 -147.8184      173.9467 -75.80461      161.3559 46.69043 22.34840 48.75527 22.78203 -2.064838      31.91350 
1 1 1 -11 11 49 o 57.74732 23.64065 86.88847       127.3891 174.2194       181.3965 1.907270       178.9395 70.64226 28.46996 55.85822 25.31610 14.78404       38.09782 
1 1 1 -11 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 12 2  o 473.9005 12.48242 6600.764       346.6235 6314.881       465.6607 6955.997       519.0776 463.0359 17.17742 485.8697 18.24881 -22.83374      25.06158 
1 1 1 -11 12 3  o 464.2517 12.31266 6334.572       334.9441 6296.840       461.7708 6376.464       486.5663 462.3820 17.05769 465.2020 17.86726 -2.819946      24.70230 
1 1 1 -11 12 4  o 915.9272 17.56701 24680.46       943.6462 23335.28       1544.552 25481.61       1191.972 887.4584 29.71783 929.8481 21.85765 -42.38971      36.89046 
1 1 1 -11 12 5  o 682.0325 13.70762 13667.93       548.2994 12757.85       876.7366 14252.49       702.6641 657.3880 22.77473 696.0623 17.21270 -38.67432      28.54760 
1 1 1 -11 12 6  o 509.7711 11.22817 7630.731       335.6871 7518.298       538.7090 7702.100       429.2035 505.1131 18.21490 511.7317 14.31520 -6.618561      23.16695 
1 1 1 -11 12 7  o 963.8191 18.40384 27342.70       1040.290 26377.03       1732.244 27887.44       1301.028 942.7828 31.37272 972.3957 22.81356 -29.61292      38.79054 
1 1 1 -11 12 8  o 585.8029 12.27890 10080.20       421.8532 9745.072       682.5397 10287.35       536.6217 574.7796 20.27949 591.2910 15.48783 -16.51141      25.51726 
1 1 1 -11 12 9  o 333.7880 9.360941 3273.036       183.0676 3067.594       270.3112 3447.104       248.8160 322.7312 14.31710 342.3253 12.41391 -19.59409      18.94952 
1 1 1 -11 12 10 o 640.0358 11.48312 12031.83       431.0370 12116.99       617.9823 11951.15       601.5082 641.5449 16.43828 637.1865 16.10916 4.358398       23.01569 
1 1 1 -11 12 11 o 324.9666 8.765648 3102.001       166.9077 2991.785       234.1855 3215.784       237.9458 318.8466 12.54806 330.6080 12.29338 -11.76141      17.56647 
1 1 1 -11 12 12 o 440.1373 9.159328 5687.090       236.4298 5736.255       338.1393 5640.062       330.7090 441.5840 13.07104 437.8816 12.89175 3.702423       18.35890 
1 1 1 -11 12 13 o 224.9744 8.616641 1487.942       113.4797 1521.190       160.1289 1454.396       160.8424 227.2060 12.06030 222.1161 12.39642 5.089890       17.29514 
1 1 1 -11 12 14 o 432.4365 8.900019 5490.488       225.7168 5714.016       331.8452 5298.030       307.9192 440.6651 12.85407 424.3610 12.38556 16.30408       17.85019 
1 1 1 -11 12 15 o 328.6782 8.080076 3171.496       155.7532 3357.346       232.6631 3020.573       209.6644 337.7499 11.76373 320.4002 11.17498 17.34973       16.22546 
1 1 1 -11 12 16 o 358.1822 8.883720 3767.943       186.6162 0.000000       0.000000 3767.943       186.6162 ?        ?        358.1822 8.883720 0.000000       8.883720 
1 1 1 -11 12 17 o 529.3895 14.39005 8261.451       446.3600 8740.288       678.8905 7896.840       592.4073 542.8290 21.36659 516.4052 19.59603 26.42389       28.99199 
1 1 1 -11 12 18 f 420.5902 7.550186 5194.494       186.2376 5494.385       484.3626 5142.466       201.7469 430.5034 19.23275 418.4246 8.221276 12.07886       20.91621 
1 1 1 -11 12 19 o 286.3587 6.686553 2407.552       112.2957 2527.659       332.9605 2392.137       119.2846 291.4213 19.59534 285.4166 7.126143 6.004669       20.85088 
1 1 1 -11 12 20 o 265.7914 6.887057 2076.014       107.2653 2076.641       347.6914 2075.948       112.7657 263.0784 22.75864 265.7572 7.241800 -2.678772      23.88304 
1 1 1 -11 12 21 o 101.8616 11.30818 309.3146       66.41743 87.53820       288.2357 321.7505       68.25419 86.13346 35.44347 103.9017 11.38731 -17.76825      37.22782 
1 1 1 -11 12 22 o 287.3699 6.826596 2425.927       115.0525 1985.529       353.5640 2478.083       121.6748 256.4226 23.78143 290.4180 7.143753 -33.99542      24.83122 
1 1 1 -11 12 23 o 286.0319 6.866826 2403.835       115.1916 2374.000       349.2739 2407.477       122.0186 281.1039 21.34556 286.1219 7.277414 -5.018005      22.55202 
1 1 1 -11 12 24 o 211.9314 8.841447 1324.070       109.6514 0.000000       0.000000 1324.070       109.6514 ?        ?        211.9314 8.841447 0.000000       8.841447 
1 1 1 -11 12 25 o 272.0587 6.964163 2177.040       111.0261 2102.673       339.4568 2185.948       117.4879 263.7439 22.15028 272.5673 7.356412 -8.823395      23.33991 
1 1 1 -11 12 26 o 360.1552 7.452134 3814.583       157.4059 3117.663       394.2237 3946.762       171.6852 321.7727 21.00504 366.2631 7.992618 -44.49039      22.47429 
1 1 1 -11 12 27 o 193.4593 7.745636 1102.688       87.70381 515.4758       311.2513 1153.334       91.40769 126.6954 38.49546 197.8413 7.893834 -71.14587      39.29648 
1 1 1 -11 12 28 o 308.0668 7.213514 2790.520       130.3294 3226.352       380.0721 2732.443       138.7413 327.7867 19.86404 304.6801 7.770801 23.10657       21.32992 
1 1 1 -11 12 29 o 90.48244 16.44613 250.6897       84.05900 5.997660       321.4126 268.6549       87.09013 83.51014 36.02934 93.74760 16.43920 -10.23746      39.60254 
1 1 1 -11 12 30 o 145.4204 13.41161 631.2568       113.0940 1295.658       344.5126 551.0117       119.7290 203.5944 29.72956 135.3911 15.34900 68.20329       33.45802 
1 1 1 -11 12 31 o 328.8532 7.547104 3181.805       145.5570 3000.119       398.0008 3209.858       156.3910 314.8616 21.68575 330.2201 8.075281 -15.35843      23.14048 
1 1 1 -11 12 32 o 119.8063 12.23562 429.2780       84.76607 14.43248       341.5773 456.5024       87.50327 85.59141 37.03528 123.5843 12.23320 -37.99292      39.00338 
1 1 1 -11 12 33 o 258.5551 7.896011 1971.248       119.5920 1690.973       376.9167 2002.623       126.1082 231.9111 28.29766 260.5379 8.263641 -28.62688      29.47958 
1 1 1 -11 12 34 o 51.78649 19.48118 61.54356       80.37829 -228.4405      328.1364 80.05397       82.90398 70.47784 32.78380 55.49803 19.96789 14.97980       38.38612 
1 1 1 -11 12 35 o 281.0816 7.617730 2330.533       125.4608 2641.916       394.0474 2295.407       132.3482 292.4118 23.16670 278.8459 8.101471 13.56589       24.54241 
1 1 1 -11 12 36 o 294.2685 7.794204 2556.538       134.3951 2735.162       402.8974 2534.174       142.5603 296.6173 23.34860 292.8428 8.309079 3.774506       24.78301 
1 1 1 -11 12 37 o 230.8788 8.382205 1577.943       113.3108 1572.901       378.9014 1578.439       118.7449 218.7464 30.35149 230.8076 8.788377 -12.06113      31.59823 
1 1 1 -11 12 38 o 65.39697 19.28658 134.8423       79.01384 107.5173       321.0575 136.6040       81.52117 84.80651 36.28941 65.84522 19.63358 18.96129       41.26014 
1 1 1 -11 12 39 f 36.96328 17.63173 -126.5324      106.3065 108.3129       302.1741 -159.7041      113.5664 81.71331 35.09042 36.67004 17.68186 45.04327       39.29359 
1 1 1 -11 12 40 o 150.3920 10.91700 682.0328       95.63384 857.0504       142.5877 538.9284       128.9340 166.8851 14.71917 130.8993 17.21159 35.98579       22.64714 
1 1 1 -11 12 41 o 93.72385 16.70155 279.7499       88.43643 371.0334       122.5187 180.4530       127.7833 106.4424 20.36802 74.14579 24.89988 32.29664       32.16925 
1 1 1 -11 12 42 o 186.6338 9.192100 1044.665       100.3038 987.7637       139.2336 1106.056       144.6217 179.2810 13.33773 189.9348 13.06265 -10.65379      18.66890 
1 1 1 -11 12 43 o 45.62212 19.40359 17.98387       90.80147 -15.28933      126.5851 53.25045       130.3218 48.94545 21.80721 56.31303 23.55804 -7.367584      32.10196 
1 1 1 -11 12 44 o 151.2318 11.56206 700.4663       101.7709 629.1279       143.6615 772.3319       144.1915 139.1822 18.02246 155.9186 15.99506 -16.73634      24.09670 
1 1 1 -11 12 45 o 68.93726 21.96719 163.5596       100.0472 119.9050       140.9314 207.9108       142.0514 64.24759 25.35664 76.04726 26.24051 -11.79967      36.49005 
1 1 1 -11 12 46 o 58.86860 22.50163 102.9391       108.2662 37.10484       154.5379 166.3977       151.7240 56.64448 24.70609 70.02688 26.66887 -13.38240      36.35408 
1 1 1 -11 12 47 o 95.44698 21.66590 321.6162       118.4960 258.1121       179.1547 371.0029       157.9909 81.03387 29.32716 98.40058 26.70186 -17.36671      39.66197 
1 1 1 -11 12 48 f 99.58970 22.01786 353.7896       125.1781 239.3488       188.5103 444.0537       167.4179 78.06692 29.72760 107.4526 26.68748 -29.38573      39.94937 
1 1 1 -11 12 49 o 104.0060 21.79138 386.5242       128.6590 326.4232       190.8739 436.5682       174.1734 87.51630 30.40627 104.5189 27.89510 -17.00262      41.26351 
1 1 1 -11 13 1  o 225.8292 10.37374 1500.366       137.0264 1504.530       170.8637 1492.861       229.3815 225.9381 12.94889 224.5797 17.55496 1.358429       21.81399 
1 1 1 -11 13 2  o 462.6250 12.36944 6290.833       335.3047 6140.369       453.9081 6471.560       497.4644 456.5740 16.98101 468.5966 18.13564 -12.02252      24.84464 
1 1 1 -11 13 3  o 620.0919 15.22912 11304.04       553.8363 11139.87       767.1490 11482.75       800.3939 614.4626 21.32025 623.7513 21.91377 -9.288696      30.57394 
1 1 1 -11 13 4  o 587.8808 14.59445 10158.31       503.1847 9816.586       686.6632 10554.64       739.4911 576.9185 20.32628 598.1044 21.11481 -21.18585      29.30858 
1 1 1 -11 13 5  o 434.5710 10.55150 5544.786       268.9214 5678.001       420.6737 5452.724       349.7085 439.0733 16.36509 430.5310 13.86814 8.542236       21.45091 
1 1 1 -11 13 6  o 337.5723 9.729478 3347.995       192.4214 3403.221       283.9468 3301.095       261.6667 339.9763 14.27266 334.9138 13.34860 5.062500       19.54211 
1 1 1 -11 13 7  o 205.1214 9.976910 1238.151       119.6611 1164.985       152.7597 1354.341       192.5027 198.6819 13.18450 214.0571 15.43775 -15.37514      20.30161 
1 1 1 -11 13 8  o 360.0393 9.619680 3808.180       202.9420 3818.608       309.7513 3800.337       268.6282 360.0928 14.69812 359.4175 12.76415 0.6752930      19.46685 
1 1 1 -11 13 9  o 664.7955 13.42696 12989.22       523.4995 13292.23       895.5574 12831.94       645.2150 670.6935 22.80083 660.1437 16.67875 10.54987       28.24993 
1 1 1 -11 13 10 o 174.4202 9.885407 896.1069       100.7072 964.2838       140.2548 823.5483       144.6917 180.6400 13.33291 166.6749 14.96108 13.96506       20.03997 
1 1 1 -11 13 11 o 311.4250 8.678976 2849.146       158.3612 2900.075       225.5501 2799.632       222.3964 313.9164 12.27486 308.4197 12.31998 5.496643       17.39120 
1 1 1 -11 13 12 o 517.6279 9.845414 7868.220       298.8837 7874.398       426.3925 7862.250       419.0732 517.2569 14.06877 516.8882 13.83673 0.3686523      19.73285 
1 1 1 -11 13 13 o 288.7538 10.21146 2452.145       172.6561 2584.792       396.8581 2421.177       191.7543 294.7396 23.14417 286.8167 11.42246 7.922913       25.80940 
1 1 1 -11 13 14 o 59.71280 18.13289 105.6304       69.07344 259.7191       305.4788 97.32766       70.90997 103.5761 38.16790 58.04171 18.49362 45.53442       42.41229 
1 1 1 -11 13 15 o 542.5649 9.954717 8649.144       316.7606 10364.94       769.7955 8299.404       347.5479 591.2427 22.23996 531.3497 11.15279 59.89294       24.87972 
1 1 1 -11 13 16 o 235.2783 8.712357 1628.151       120.0100 0.000000       0.000000 1628.151       120.0100 ?        ?        235.2783 8.712357 0.000000       8.712357 
1 1 1 -11 13 17 o 156.0683 8.551671 717.6454       77.97465 0.000000       0.000000 717.6454       77.97465 ?        ?        156.0683 8.551671 0.000000       8.551671 
1 1 1 -11 13 18 o 93.85729 13.12143 264.4807       70.25597 802.3865       283.4612 229.2746       72.51867 160.7574 31.19119 86.98922 14.74037 73.76820       34.49882 
1 1 1 -11 13 19 o 408.8743 7.488002 4910.630       179.5586 5098.319       462.9137 4877.390       194.8110 414.2584 19.10509 407.4240 8.152982 6.834442       20.77200 
1 1 1 -11 13 20 o 76.69491 15.75965 180.2144       68.51453 18.38030       284.5305 190.1758       70.59168 80.63694 34.32367 78.82288 15.82083 1.814064       37.79435 
1 1 1 -11 13 21 o 84.21893 13.85979 214.8719       66.07759 203.1139       290.0060 215.5158       67.86263 95.72293 36.76724 84.28007 14.23605 11.44286       39.42709 
1 1 1 -11 13 22 o 146.9179 8.777833 637.1778       75.28835 641.3551       308.0221 636.9124       77.64342 141.4398 36.79008 146.8555 9.059060 -5.415634      37.88900 
1 1 1 -11 13 23 o 277.6957 6.852972 2266.013       111.6089 1994.747       340.7820 2298.606       118.1236 256.9148 22.85542 279.5623 7.210577 -22.64755      23.96587 
1 1 1 -11 13 24 o 410.5068 9.604473 4963.560       231.2301 0.000000       0.000000 4963.560       231.2301 ?        ?        410.5068 9.604473 0.000000       9.604473 
1 1 1 -11 13 25 o 409.5940 7.809170 4934.789       187.5897 4614.493       468.5802 4995.919       204.7100 392.0567 20.44977 412.0109 8.471880 -19.95419      22.13518 
1 1 1 -11 13 26 o 251.7823 7.149479 1865.411       105.4654 1900.752       358.2745 1862.058       110.3551 249.5114 24.81203 251.5134 7.489708 -2.001953      25.91781 
1 1 1 -11 13 27 o 305.0847 7.265108 2736.888       129.9909 2558.069       389.1018 2759.353       137.9148 290.5269 23.02448 306.1886 7.686257 -15.66168      24.27355 
1 1 1 -11 13 28 o 81.97447 17.44540 207.5187       81.29322 179.7131       307.4603 209.6087       84.29301 94.47117 37.39997 82.31532 17.96626 12.15585       41.49150 
1 1 1 -11 13 29 o 158.7191 14.03865 752.0103       129.3327 0.000000       0.000000 752.0103       129.3327 ?        ?        158.7191 14.03865 0.000000       14.03865 
1 1 1 -11 13 30 o 55.37695 21.93439 52.51758       105.8051 -234.5182      364.2093 78.97446       110.5738 75.95793 35.05480 59.96517 22.78347 15.99276       41.80820 
1 1 1 -11 13 31 o 283.5539 9.826258 2374.610       163.1614 0.000000       0.000000 2374.610       163.1614 ?        ?        283.5539 9.826258 0.000000       9.826258 
1 1 1 -11 13 32 o 105.2582 13.69610 334.3833       82.54494 249.9270       350.8450 339.3322       84.92899 102.4617 40.13797 105.9790 14.00684 -3.517372      42.51174 
1 1 1 -11 13 33 o 289.8541 7.700618 2476.845       130.7888 2426.577       385.3129 2483.391       139.0439 280.7180 23.62313 290.1381 8.179567 -9.420105      24.99915 
1 1 1 -11 13 34 o 162.8520 9.748917 786.7764       92.68453 358.3765       337.5422 821.7108       96.38952 109.1881 40.14067 166.4067 9.921672 -57.21857      41.34867 
1 1 1 -11 13 35 o 186.0761 8.916140 1025.139       97.01804 1175.656       342.0504 1011.971       101.1730 189.5534 31.90028 184.7828 9.366375 4.770584       33.24691 
1 1 1 -11 13 36 o 262.2589 8.118408 2033.006       124.7178 2104.771       395.4439 2025.080       131.4253 257.3037 26.58777 261.6263 8.576981 -4.322540      27.93697 
1 1 1 -11 13 37 o 33.68182 15.75111 -71.40530      77.38261 -139.2738      339.1161 -67.67726      79.47952 73.93990 34.01576 34.61583 16.11306 39.32406       37.63911 
1 1 1 -11 13 38 o 68.90547 18.99728 151.7260       79.24173 175.1491       310.3320 150.0923       81.95866 87.94478 36.53745 68.56356 19.47367 19.38122       41.40301 
1 1 1 -11 13 39 o 363.2924 7.987292 3915.277       170.1792 3772.805       444.7703 3939.712       184.1956 343.0240 22.22827 364.0756 8.626551 -21.05154      23.84352 
1 1 1 -11 13 40 o 293.3168 7.320614 2550.577       125.9317 2455.149       171.3479 2662.668       185.7060 286.1317 10.22730 297.7143 10.65311 -11.58255      14.76775 
1 1 1 -11 13 41 o 248.4619 7.935762 1837.618       115.4893 1708.389       155.5732 1996.255       172.3680 237.8137 11.18577 256.9172 11.46856 -19.10349      16.02028 
1 1 1 -11 13 42 o 143.1075 11.30626 623.5070       94.12211 598.4847       131.2787 649.9748       135.0176 137.3251 16.63923 143.3521 16.35171 -6.026978      23.32900 
1 1 1 -11 13 43 o 136.5664 11.71803 571.3006       92.94684 660.6843       135.0676 490.8982       128.1022 144.2200 16.25154 122.8324 18.34376 21.38763       24.50726 
1 1 1 -11 13 44 o 77.77618 20.48568 206.8430       94.72289 267.5958       138.5444 153.5175       129.7996 85.82662 25.59610 68.35397 24.92991 17.47265       35.73038 
1 1 1 -11 13 45 o 119.3038 15.94946 457.8867       108.8034 545.3128       157.7519 378.5637       150.2636 125.5124 22.24504 101.7284 25.29345 23.78400       33.68383 
1 1 1 -11 13 46 o 95.24396 21.32795 316.8850       116.1651 261.8517       177.0166 358.5114       153.9520 82.06267 29.21793 97.45267 26.32178 -15.39000      39.32586 
1 1 1 -11 13 47 o 187.1769 11.76643 1084.141       128.5123 870.6505       192.0044 1257.401       172.9699 158.8477 21.13397 198.4922 14.96886 -39.64445      25.89810 
1 1 1 -11 13 48 o 62.66084 25.52289 113.6333       147.5664 97.70478       197.3108 133.8515       222.2971 64.90491 28.11599 69.29977 29.93126 -4.394859      41.06567 
1 1 1 -11 14 1  f 658.8420 16.05906 12766.34       620.5146 12549.22       855.9694 13006.81       900.8286 651.9250 22.42110 663.5612 23.18346 -11.63617      32.25180 
1 1 1 -11 14 2  o 355.9077 10.89373 3723.010       227.1186 3679.922       302.1208 3779.003       344.4057 353.5154 14.60353 358.0547 16.44492 -4.539276      21.99314 
1 1 1 -11 14 3  o 372.2500 11.09008 4072.820       241.8440 3893.514       316.6721 4323.757       374.6234 363.6142 14.88117 383.0061 16.71807 -19.39188      22.38176 
1 1 1 -11 14 4  o 444.7242 11.97975 5813.677       312.1715 5742.941       428.8130 5893.433       455.3341 441.5186 16.58982 447.1721 17.39539 -5.653473      24.03792 
1 1 1 -11 14 5  o 615.1940 12.82048 11119.96       462.5589 10959.41       754.8142 11216.51       585.3478 609.3407 21.15381 617.2876 16.18269 -7.946899      26.63387 
1 1 1 -11 14 6  f 515.5120 11.46114 7805.493       346.5112 7943.254       561.9700 7720.989       440.1395 519.0447 18.49065 512.2421 14.66601 6.802612       23.60076 
1 1 1 -11 14 7  f 209.6329 9.226344 1292.543       113.1552 1340.988       155.8857 1238.587       164.5140 213.2700 12.51814 204.8139 13.77610 8.456100       18.61410 
1 1 1 -11 14 8  o 855.5607 16.49884 21541.27       827.8561 21606.67       1419.787 21507.58       1019.011 853.4228 28.40626 854.1008 20.34320 -0.6780396     34.93940 
1 1 1 -11 14 9  o 371.6780 9.544465 4058.611       207.8784 4027.507       319.7304 4081.388       273.5997 369.7608 14.77365 372.4645 12.54296 -2.703674      19.38006 
1 1 1 -11 14 10 o 506.1877 11.01439 7526.527       326.9809 7758.398       547.2829 7397.812       407.7592 512.8375 18.22521 501.3958 13.88004 11.44174       22.90882 
1 1 1 -11 14 11 o 444.1648 12.80956 5804.412       333.3305 0.000000       0.000000 5804.412       333.3305 ?        ?        444.1648 12.80956 0.000000       12.80956 
1 1 1 -11 14 12 o 241.9326 7.505545 1719.628       106.3657 1846.538       412.0269 1710.567       110.0975 247.6072 28.91726 241.2759 7.790812 6.331268       29.94836 
1 1 1 -11 14 13 o 227.3056 7.397829 1518.219       98.48860 1842.146       386.1389 1495.680       101.8575 247.5781 27.03255 225.5900 7.710125 21.98805       28.11058 
1 1 1 -11 14 14 f 166.8824 10.12420 821.3306       98.62205 0.000000       0.000000 821.3306       98.62205 ?        ?        166.8824 10.12420 0.000000       10.12420 
1 1 1 -11 14 15 o 214.3436 8.519139 1351.502       106.8786 0.000000       0.000000 1351.502       106.8786 ?        ?        214.3436 8.519139 0.000000       8.519139 
1 1 1 -11 14 16 o 483.0284 13.68511 6878.160       387.2876 7613.519       608.9059 6378.565       501.8906 506.5632 20.53844 464.1212 18.47548 42.44196       27.62555 
1 1 1 -11 14 17 o 680.4306 13.75295 13645.65       548.8205 0.000000       0.000000 13645.65       548.8205 ?        ?        680.4306 13.75295 0.000000       13.75295 
1 1 1 -11 14 18 f 362.5395 9.053086 3863.647       192.4875 0.000000       0.000000 3863.647       192.4875 ?        ?        362.5395 9.053086 0.000000       9.053086 
1 1 1 -11 14 19 o 333.0862 6.993297 3258.680       136.6121 3341.018       407.5517 3248.258       145.0009 334.4970 20.87907 332.5177 7.435418 1.979248       22.16350 
1 1 1 -11 14 20 o 257.6773 7.088526 1952.094       107.0212 1879.524       363.0926 1958.999       111.9967 249.1010 25.19994 258.1023 7.406485 -9.001312      26.26582 
1 1 1 -11 14 21 o 273.4093 6.875807 2197.553       110.1648 1957.516       339.3203 2225.836       116.4742 254.7369 22.95875 275.1284 7.224700 -20.39151      24.06866 
1 1 1 -11 14 22 o 170.9319 7.843515 860.8477       78.41972 608.8514       299.1403 879.4436       81.26168 137.7074 36.46807 172.7513 8.042808 -35.04391      37.34444 
1 1 1 -11 14 23 o 131.6230 9.384904 512.7000       71.97035 522.4383       317.6608 512.1730       73.89181 127.9722 38.89112 131.5211 9.646770 -3.548950      40.06968 
1 1 1 -11 14 24 o 168.1785 10.12153 836.6036       99.36941 0.000000       0.000000 836.6036       99.36941 ?        ?        168.1785 10.12153 0.000000       10.12153 
1 1 1 -11 14 25 o 210.8383 9.590086 1312.417       118.2725 1243.034       330.7079 1322.592       126.6489 199.7475 29.08357 211.5561 10.23803 -11.80859      30.83296 
1 1 1 -11 14 26 o 105.6493 12.42062 334.3712       75.49068 103.5275       327.4608 347.3281       77.58035 90.68072 37.59075 107.6863 12.51701 -17.00558      39.61994 
1 1 1 -11 14 27 o 112.9454 12.69488 381.8214       82.63642 197.5120       355.0563 392.3770       84.96982 100.2009 40.01976 114.4816 12.87862 -14.28070      42.04093 
1 1 1 -11 14 28 o 152.2709 10.71774 687.2794       95.10150 1292.704       408.8840 652.6545       97.78316 200.8255 36.04035 148.2711 11.33077 52.55443       37.77953 
1 1 1 -11 14 29 o 66.42696 20.01327 133.5262       84.37587 -237.5178      334.8735 158.6790       87.18886 72.13690 33.40471 71.73018 19.98497 0.4067230      38.92651 
1 1 1 -11 14 30 o 162.0654 9.948570 777.5553       94.10303 1339.899       357.7477 735.7534       97.53791 206.3396 30.47885 157.5264 10.61977 48.81320       32.27599 
1 1 1 -11 14 31 o 224.0640 8.141470 1480.477       106.8078 1620.124       408.1361 1470.210       110.6644 226.0427 31.65320 223.2336 8.468101 2.809097       32.76635 
1 1 1 -11 14 32 o 299.3213 7.572321 2640.104       132.8215 3114.221       427.6121 2589.476       139.7331 318.9207 23.01698 296.3419 8.047445 22.57877       24.38325 
1 1 1 -11 14 33 o 423.0063 8.103837 5275.389       201.0426 5224.356       527.8329 5284.048       217.4319 413.5453 21.84064 423.1615 8.761262 -9.616211      23.53239 
1 1 1 -11 14 34 o 270.2809 7.957527 2156.094       126.0001 1720.929       392.7253 2206.028       133.0328 231.9771 29.53523 273.3159 8.308986 -41.33875      30.68174 
1 1 1 -11 14 35 o 49.67444 19.55330 46.05304       83.60699 123.0090       363.6650 41.75859       85.90813 92.26246 39.01825 49.47363 19.70995 42.78883       43.71391 
1 1 1 -11 14 36 o 107.0375 14.59009 349.9587       89.20737 236.1593       369.8975 356.9863       91.92055 99.06536 40.38718 108.0332 14.90462 -8.967865      43.04964 
1 1 1 -11 14 37 o 104.2910 14.10097 333.1324       84.03984 437.5156       347.9271 326.6650       86.60421 111.7804 40.80846 103.0554 14.74910 8.724945       43.39200 
1 1 1 -11 14 38 o 52.28459 19.36494 70.43657       78.80916 6.336072       340.1416 74.07286       81.01366 79.21796 35.48874 53.26159 19.65060 25.95637       40.56595 
1 1 1 -11 14 39 o 123.2389 11.74823 460.9249       83.88611 733.5367       334.8639 442.6718       86.64895 135.7724 39.61291 120.5088 12.43862 15.26354       41.51990 
1 1 1 -11 14 40 o 66.35235 23.63650 134.2257       115.8603 114.0602       329.1592 137.0774       123.7818 81.98964 35.90214 67.37313 24.37805 14.61651       43.39646 
1 1 1 -11 14 41 o 108.1766 14.64592 365.8879       90.53355 297.4453       121.4312 451.5436       135.8455 93.69379 22.40242 117.1795 20.51410 -23.48569      30.37593 
1 1 1 -11 14 42 o 104.4561 15.18653 345.1538       90.31105 221.9196       122.6608 491.0419       133.4596 79.83208 24.14729 122.4979 19.20780 -42.66581      30.85500 
1 1 1 -11 14 43 o 42.22329 18.43716 -1.204162      86.27450 -159.4494      127.0211 134.3217       117.5497 38.83337 18.71872 65.16054 23.73058 -26.32717      30.22467 
1 1 1 -11 14 44 o 48.66722 20.42467 34.29562       98.43878 -67.33300      149.4182 112.2342       130.8494 48.32906 22.35666 62.61355 24.51691 -14.28449      33.17980 
1 1 1 -11 14 45 o 117.2297 15.94724 443.3973       106.8011 365.1726       154.4004 515.1633       147.8890 98.78392 26.21830 122.3661 21.38551 -23.58220      33.83400 
1 1 1 -11 14 46 o 100.7248 19.32606 344.3256       110.0132 388.5541       161.7152 306.2234       150.0978 100.9223 26.85346 89.54202 26.62686 11.38026       37.81664 
1 1 1 -11 14 47 o 52.45225 22.20227 48.03211       117.9254 114.1501       183.0629 1.134144       154.1762 65.42699 27.67698 53.03264 23.81482 12.39436       36.51248 
1 1 1 -11 14 48 o 87.01328 24.85252 286.9325       133.1180 71.68369       205.9496 441.3897       174.4595 63.39637 28.05396 105.5929 27.79649 -42.19650      39.49266 
1 1 1 -11 15 1  o 629.4355 15.38486 11651.87       567.9306 11372.31       781.1223 11965.38       827.2079 620.6102 21.49343 636.4622 22.19508 -15.85199      30.89642 
1 1 1 -11 15 2  o 666.7604 16.14744 13078.87       631.4285 12878.87       874.9037 13296.28       912.2139 660.2329 22.62846 670.7255 23.22507 -10.49261      32.42608 
1 1 1 -11 15 3  o 637.5399 15.50828 11955.01       579.8580 11975.54       815.7218 11934.03       824.4337 636.7673 21.87541 635.6041 22.15047 1.163269       31.13160 
1 1 1 -11 15 4  o 522.2288 13.24466 8020.350       405.3231 7906.727       562.0506 8143.470       585.0690 517.7989 18.53810 525.4263 19.01786 -7.627380      26.55824 
1 1 1 -11 15 5  o 123.9499 11.35059 455.0382       81.59656 400.9887       104.4765 539.5656       130.6536 115.6891 15.81173 134.3434 16.95991 -18.65424      23.18727 
1 1 1 -11 15 6  o 345.9554 9.467216 3516.450       191.9042 3685.985       294.8416 3391.841       252.7758 353.7780 14.23953 339.4974 12.71795 14.28058       19.09216 
1 1 1 -11 15 7  o 234.1274 8.869647 1611.445       121.5691 1732.495       174.0239 1496.064       169.8996 242.5071 12.27577 225.2476 12.91534 17.25952       17.81855 
1 1 1 -11 15 8  o 873.6350 16.87596 22472.32       864.6675 24416.62       1576.384 21635.60       1034.116 906.3270 29.69706 856.3674 20.59010 49.95953       36.13679 
1 1 1 -11 15 9  o 341.9811 7.901930 3432.700       158.4841 0.000000       0.000000 3432.700       158.4841 ?        ?        341.9811 7.901930 0.000000       7.901930 
1 1 1 -11 15 10 o 899.9099 15.33241 23838.36       809.2077 0.000000       0.000000 23838.36       809.2077 ?        ?        899.9099 15.33241 0.000000       15.33241 
1 1 1 -11 15 11 o 463.0786 9.214931 6297.641       250.2634 0.000000       0.000000 6297.641       250.2634 ?        ?        463.0786 9.214931 0.000000       9.214931 
1 1 1 -11 15 12 o 584.1946 10.70995 10029.64       366.9402 0.000000       0.000000 10029.64       366.9402 ?        ?        584.1946 10.70995 0.000000       10.70995 
1 1 1 -11 15 13 o 260.1402 7.474874 1988.354       113.9230 2257.252       388.1093 1963.001       119.1727 274.7346 24.33896 258.4471 7.871564 16.28757       25.58020 
1 1 1 -11 15 14 o 337.1540 7.315445 3337.337       144.6504 3536.497       422.6476 3310.914       153.9473 344.9516 20.99087 335.7879 7.817296 9.163635       22.39926 
1 1 1 -11 15 15 f 132.2831 11.40374 518.5556       87.60840 0.000000       0.000000 518.5556       87.60840 ?        ?        132.2831 11.40374 0.000000       11.40374 
1 1 1 -11 15 16 o 126.6401 10.64342 475.0307       78.31934 0.000000       0.000000 475.0307       78.31934 ?        ?        126.6401 10.64342 0.000000       10.64342 
1 1 1 -11 15 17 o 209.1301 8.333138 1287.195       102.0012 1468.109       337.2752 1268.983       107.0123 219.9039 26.69803 207.5982 8.809435 12.30579       28.11389 
1 1 1 -11 15 18 o 494.8141 9.238852 7200.065       268.1085 0.000000       0.000000 7200.065       268.1085 ?        ?        494.8141 9.238852 0.000000       9.238852 
1 1 1 -11 15 19 o 317.1084 7.095256 2954.157       131.9552 2807.168       384.9999 2973.722       140.4630 306.0894 21.58518 318.1201 7.528707 -12.03061      22.86048 
1 1 1 -11 15 20 f 275.5135 7.823063 2233.073       126.2788 1872.940       350.6245 2286.749       135.3626 248.7267 24.34792 278.7532 8.289169 -30.02644      25.72026 
1 1 1 -11 15 21 o 257.1174 6.999385 1944.064       105.4478 2232.055       352.2351 1915.714       110.5164 272.1787 22.26050 255.1927 7.392065 16.98608       23.45576 
1 1 1 -11 15 22 o 434.3077 7.934985 5547.382       202.1130 5258.855       523.1899 5597.993       219.1237 418.5348 21.38550 436.1789 8.565921 -17.64413      23.03724 
1 1 1 -11 15 23 o 413.8969 7.822301 5038.696       189.8791 4775.986       497.0040 5083.595       205.4652 398.5733 21.33965 415.6358 8.428974 -17.06253      22.94403 
1 1 1 -11 15 24 o 145.3738 11.01672 627.1081       93.22742 0.000000       0.000000 627.1081       93.22742 ?        ?        145.3738 11.01672 0.000000       11.01672 
1 1 1 -11 15 25 o 100.5401 13.19760 304.0886       75.94169 426.5633       349.3610 298.0146       77.80204 118.9158 41.14603 99.41566 13.70850 19.50009       43.36956 
1 1 1 -11 15 26 f 118.6092 12.40082 420.2510       84.98873 -95.11279      361.8570 450.3398       87.43452 82.54806 36.81848 122.8425 12.30155 -40.29448      38.81918 
1 1 1 -11 15 27 o 195.9598 9.136810 1133.328       104.7164 946.5048       399.3452 1147.122       108.5135 169.4661 40.69442 197.1125 9.414047 -27.64644      41.76913 
1 1 1 -11 15 28 o 106.4812 19.49346 349.2045       117.2495 0.000000       0.000000 349.2045       117.2495 ?        ?        106.4812 19.49346 0.000000       19.49346 
1 1 1 -11 15 29 o 209.6203 8.635116 1296.124       105.9306 1220.406       386.8707 1302.261       110.1398 194.8808 35.14160 210.0696 8.960439 -15.18880      36.26598 
1 1 1 -11 15 30 o 288.2973 9.081594 2452.270       153.3597 3074.320       429.3657 2361.306       164.1902 317.7046 23.20376 282.7272 9.917502 34.97739       25.23433 
1 1 1 -11 15 31 f 43.29082 19.35561 -39.06842      100.6449 239.8718       401.3763 -57.78361      103.9665 105.3940 42.39368 42.36201 19.23798 63.03203       46.55452 
1 1 1 -11 15 32 o 371.9609 7.838850 4076.783       171.0016 3983.663       473.4639 4090.752       183.3799 360.8300 22.48523 372.4656 8.394890 -11.63556      24.00124 
1 1 1 -11 15 33 o 270.1626 7.839194 2153.401       124.0760 2486.997       440.2130 2124.612       129.3189 281.4687 26.99813 268.2657 8.229249 13.20294       28.22445 
1 1 1 -11 15 34 o 65.50332 19.80529 131.8853       82.52633 906.0141       362.3319 89.52878       84.75397 162.0850 38.66035 57.37406 20.23749 104.7109       43.63689 
1 1 1 -11 15 35 o 113.5559 13.12355 389.8656       85.79359 560.6315       357.4847 379.4290       88.37641 126.2518 41.62727 111.8391 13.76384 14.41261       43.84373 
1 1 1 -11 15 36 o 198.0504 8.824771 1163.609       102.2439 844.4786       361.9404 1191.284       106.5851 152.3135 40.00908 200.3246 9.095910 -48.01103      41.03001 
1 1 1 -11 15 37 o 168.0875 9.461912 842.3552       92.89835 810.0472       351.1717 844.7863       96.33009 146.4799 39.83481 168.2286 9.806149 -21.74869      41.02405 
1 1 1 -11 15 38 o 222.1001 8.393750 1466.857       109.1373 1006.263       345.9512 1517.762       115.0102 164.2331 36.82806 225.8102 8.700731 -61.57703      37.84189 
1 1 1 -11 15 39 o 89.89515 15.62989 254.7141       79.41302 -113.9712      331.0426 277.2260       81.80157 70.97300 32.98509 93.96882 15.37437 -22.99582      36.39214 
1 1 1 -11 15 40 o 147.1078 10.84418 654.2811       92.90081 849.0752       366.0070 640.8671       96.04625 141.5163 41.44905 145.3746 11.35530 -3.858246      42.97635 
1 1 1 -11 15 41 o 278.4001 7.839922 2309.247       127.8789 2270.295       172.9290 2356.253       189.9653 274.1244 10.77747 278.5841 11.65272 -4.459686      15.87261 
1 1 1 -11 15 42 o 79.45390 19.57609 211.6633       90.61816 236.0371       120.9340 180.4553       136.8422 82.15799 23.75760 73.11322 25.72128 9.044769       35.01439 
1 1 1 -11 15 43 o 52.10445 20.49735 65.66631       91.82616 135.3146       137.1131 9.022820       123.6513 66.40634 25.33726 50.37770 22.03356 16.02864       33.57759 
1 1 1 -11 15 44 o 47.37579 20.12160 26.08585       97.41388 155.9689       141.3350 -91.45242      134.4507 68.75374 25.83942 43.99877 20.63565 24.75497       33.06820 
1 1 1 -11 15 45 o 39.33922 18.34033 -67.72809      103.6108 42.51841       147.7020 -174.5372      145.3811 56.26235 24.34915 41.07732 19.85589 15.18502       31.41874 
1 1 1 -11 15 46 o 158.5774 12.81948 786.0240       118.2081 800.0303       167.2342 772.0388       167.1089 154.7221 18.81628 151.5694 19.23145 3.152634       26.90541 
1 1 1 -11 15 47 o 127.0837 17.17438 533.4333       124.7301 585.9784       187.7823 491.9468       166.8561 124.2154 26.57995 114.5839 25.48771 9.631577       36.82549 
1 1 1 -11 15 48 o 51.82747 21.85086 50.76337       113.4829 103.9193       153.1833 -13.89884      168.9510 61.64583 25.64571 53.39881 24.35634 8.247017       35.36854 
1 1 1 -11 16 1  o 321.6689 10.06363 3041.279       189.6180 2883.193       247.4780 3266.026       295.0792 312.8879 13.51833 332.8749 15.15471 -19.98697      20.30789 
1 1 1 -11 16 2  o 232.7333 9.494151 1592.902       129.3161 1614.802       168.7834 1561.776       201.2255 234.1004 12.33709 229.9441 15.00336 4.156250       19.42433 
1 1 1 -11 16 3  o 306.5603 9.895644 2762.403       177.6810 2811.839       242.9045 2705.508       260.5839 308.9867 13.43645 302.9442 14.71075 6.042480       19.92346 
1 1 1 -11 16 4  o 215.2617 9.324309 1362.988       117.4364 1447.669       157.0878 1255.699       176.8177 221.6324 12.13159 206.1018 14.72530 15.53065       19.07904 
1 1 1 -11 16 5  f 848.1544 16.48282 21176.99       819.8926 23113.70       1492.602 20340.10       981.1760 882.0834 28.89150 830.4285 20.14625 51.65491       35.22201 
1 1 1 -11 16 6  o 199.8672 7.909248 1174.318       92.52707 0.000000       0.000000 1174.318       92.52707 ?        ?        199.8672 7.909248 0.000000       7.909248 
1 1 1 -11 16 7  o 124.3881 10.25084 457.5218       74.11743 0.000000       0.000000 457.5218       74.11743 ?        ?        124.3881 10.25084 0.000000       10.25084 
1 1 1 -11 16 8  o 374.5196 8.360158 4117.846       183.6283 0.000000       0.000000 4117.846       183.6283 ?        ?        374.5196 8.360158 0.000000       8.360158 
1 1 1 -11 16 9  o 622.4422 11.29236 11386.48       412.2251 0.000000       0.000000 11386.48       412.2251 ?        ?        622.4422 11.29236 0.000000       11.29236 
1 1 1 -11 16 10 o 203.8168 8.081965 1221.555       96.41523 0.000000       0.000000 1221.555       96.41523 ?        ?        203.8168 8.081965 0.000000       8.081965 
1 1 1 -11 16 11 o 414.3911 8.441608 5042.699       205.1569 0.000000       0.000000 5042.699       205.1569 ?        ?        414.3911 8.441608 0.000000       8.441608 
1 1 1 -11 16 12 o 651.2266 11.53991 12471.92       440.7428 0.000000       0.000000 12471.92       440.7428 ?        ?        651.2266 11.53991 0.000000       11.53991 
1 1 1 -11 16 13 o 571.1317 10.29479 9588.831       344.8294 0.000000       0.000000 9588.831       344.8294 ?        ?        571.1317 10.29479 0.000000       10.29479 
1 1 1 -11 16 14 o 234.0535 8.421383 1611.354       115.4092 0.000000       0.000000 1611.354       115.4092 ?        ?        234.0535 8.421383 0.000000       8.421383 
1 1 1 -11 16 15 o 641.4808 16.41152 12165.06       616.9163 13300.30       951.1398 11340.65       810.5341 667.5626 24.33488 617.1783 22.43019 50.38422       33.09532 
1 1 1 -11 16 16 f 235.5987 8.160228 1632.927       112.5821 0.000000       0.000000 1632.927       112.5821 ?        ?        235.5987 8.160228 0.000000       8.160228 
1 1 1 -11 16 17 o 503.8502 10.92388 7474.140       322.7967 0.000000       0.000000 7474.140       322.7967 ?        ?        503.8502 10.92388 0.000000       10.92388 
1 1 1 -11 16 18 o 253.3328 6.920685 1886.630       102.7269 2622.648       369.3155 1824.909       106.9474 295.8472 21.43056 249.1134 7.328161 46.73381       22.64886 
1 1 1 -11 16 19 o 192.3808 7.734012 1089.592       87.08250 346.4031       339.9184 1141.794       90.08900 112.2977 40.42899 196.9345 7.815610 -84.63675      41.17750 
1 1 1 -11 16 20 o 176.3475 7.984853 916.2538       82.36801 545.3082       337.8584 939.6945       84.93063 131.1246 40.15969 178.5782 8.130670 -47.45361      40.97448 
1 1 1 -11 16 21 o 381.0485 7.520887 4268.880       168.0737 4081.555       464.4736 4297.105       180.2915 368.5465 21.58357 382.2346 8.042569 -13.68811      23.03331 
1 1 1 -11 16 22 o 98.98573 12.40997 293.9125       70.46422 309.7557       325.3349 293.1327       72.17751 107.2391 39.41084 98.79025 12.75507 8.448822       41.42350 
1 1 1 -11 16 23 o 502.3551 8.725395 7429.085       257.0670 7125.112       621.9185 7491.722       282.3130 486.5522 21.85058 504.2752 9.545810 -17.72299      23.84472 
1 1 1 -11 16 24 o 48.24881 19.53269 30.72716       85.81287 0.000000       0.000000 30.72716       85.81287 ?        ?        48.24881 19.53269 0.000000       19.53269 
1 1 1 -11 16 25 o 182.6895 8.927816 985.0781       95.36572 862.9292       366.3372 993.9576       98.77118 162.2632 38.98374 183.4752 9.208584 -21.21199      40.05658 
1 1 1 -11 16 26 o 312.7135 7.947430 2878.778       145.6370 2127.800       469.1599 2958.859       153.2055 261.2967 31.23302 316.9886 8.248012 -55.69193      32.30373 
1 1 1 -11 16 27 o 217.2195 10.30373 1394.400       130.8892 2293.960       467.5130 1317.893       136.3417 272.0435 29.78900 211.0380 11.05438 61.00555       31.77395 
1 1 1 -11 16 28 o 37.76467 17.10359 -44.68992      81.50047 -200.5901      383.7657 -37.32655      83.40295 79.88571 36.54044 39.06521 17.53134 40.82050       40.52840 
1 1 1 -11 16 29 o 188.0549 8.848948 1044.235       97.32111 992.9713       374.3588 1047.951       100.7864 173.7927 37.80676 188.3448 9.151657 -14.55211      38.89864 
1 1 1 -11 16 30 o 245.4153 7.914905 1775.339       113.7705 2171.752       410.1889 1742.301       118.4164 264.7216 26.78900 243.0525 8.319593 21.66913       28.05113 
1 1 1 -11 16 31 o 366.2545 7.876960 3952.138       169.1968 4100.564       520.4565 3934.598       178.9151 365.0293 24.45222 365.3345 8.350368 -0.3052063     25.83873 
1 1 1 -11 16 32 o 220.4393 8.404188 1435.372       108.4524 1900.686       439.5233 1405.205       111.9128 243.1939 31.55978 218.0366 8.769745 25.15735       32.75558 
1 1 1 -11 16 33 o 83.50798 17.60565 217.6092       83.50353 324.2228       401.7540 212.7955       85.36786 109.4275 42.92627 82.45116 18.14705 26.97632       46.60451 
1 1 1 -11 16 34 o 136.0938 11.61970 554.2894       91.85727 620.1249       369.2903 549.9474       94.83800 132.5265 42.20131 135.4500 12.06472 -2.923538      43.89200 
1 1 1 -11 16 35 o 119.4585 12.79436 430.9135       88.24214 370.1118       400.0290 434.0234       90.47073 110.1677 42.94542 119.8143 13.08765 -9.646584      44.89539 
1 1 1 -11 16 36 o 142.7805 11.04583 611.3976       91.77613 865.8780       378.6104 595.5111       94.59743 151.6106 41.41618 140.7534 11.56143 10.85719       42.99961 
1 1 1 -11 16 37 o 165.5572 9.713719 819.1120       93.90137 273.1853       363.6120 858.1220       97.19842 97.07538 39.86283 169.4304 9.823899 -72.35501      41.05551 
1 1 1 -11 16 38 o 63.76495 19.10504 129.9370       77.04905 204.7406       348.1024 126.0835       79.00873 90.05558 38.13374 63.00373 19.44320 27.05185       42.80444 
1 1 1 -11 16 39 o 210.5512 8.757305 1323.220       107.9020 662.1840       382.5245 1380.364       112.4692 123.6412 43.03949 214.9777 8.940023 -91.33648      43.95818 
1 1 1 -11 16 40 o 29.93789 14.60943 -143.1214      83.84455 -359.8537      377.3177 -131.8636      85.99456 65.33239 31.67749 31.19118 15.12339 34.14121       35.10243 
1 1 1 -11 16 41 o 89.32959 17.14792 258.7402       86.57178 190.4871       114.1961 350.9740       132.7501 74.64445 23.42933 101.0496 22.92789 -26.40514      32.78143 
1 1 1 -11 16 42 o 97.24258 16.18647 303.9171       89.06866 193.5399       119.9660 439.4954       132.9577 74.72807 24.07941 114.5906 20.53842 -39.86256      31.64877 
1 1 1 -11 16 43 o 97.18489 18.03471 311.7517       99.00817 278.9807       142.2891 342.5116       137.8536 87.20070 25.92359 97.91857 24.15661 -10.71787      35.43409 
1 1 1 -11 16 44 o 81.38286 20.86965 230.1595       100.0760 212.3633       140.6669 248.3987       142.4068 76.36572 26.12071 81.74500 26.22512 -5.379272      37.01417 
1 1 1 -11 16 45 f 79.26420 21.84422 222.9085       104.7959 162.7685       148.8467 282.0206       147.5692 69.26897 26.40649 86.09238 26.57288 -16.82341      37.46226 
1 1 1 -11 16 46 o 137.7875 14.68956 607.1460       116.8767 773.2894       169.8945 457.8729       161.0380 151.0234 19.64685 110.7530 25.34266 40.27042       32.06633 
1 1 1 -11 16 47 o 64.13077 24.17354 137.7373       123.9004 250.8485       176.6147 28.12582       173.8610 79.38184 29.06004 57.31219 25.54456 22.06964       38.69122 
1 1 1 -11 17 1  o 386.5874 10.83234 4393.813       245.3535 4457.792       338.9963 4323.428       355.5604 388.9490 14.88862 382.9066 15.86763 6.042450       21.75897 
1 1 1 -11 17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 3  o 521.7095 11.10579 7996.972       339.8043 0.000000       0.000000 7996.972       339.8043 ?        ?        521.7095 11.10579 0.000000       11.10579 
1 1 1 -11 17 4  o 305.9144 8.261641 2749.264       148.0877 0.000000       0.000000 2749.264       148.0877 ?        ?        305.9144 8.261641 0.000000       8.261641 
1 1 1 -11 17 5  o 157.0351 9.455059 726.8210       86.67528 0.000000       0.000000 726.8210       86.67528 ?        ?        157.0351 9.455059 0.000000       9.455059 
1 1 1 -11 17 6  o 152.7589 8.830873 687.4875       78.77812 0.000000       0.000000 687.4875       78.77812 ?        ?        152.7589 8.830873 0.000000       8.830873 
1 1 1 -11 17 7  o 680.5703 11.99595 13617.74       478.8045 0.000000       0.000000 13617.74       478.8045 ?        ?        680.5703 11.99595 0.000000       11.99595 
1 1 1 -11 17 8  o 154.1308 8.743253 699.8795       78.70971 0.000000       0.000000 699.8795       78.70971 ?        ?        154.1308 8.743253 0.000000       8.743253 
1 1 1 -11 17 9  o 553.3337 10.29628 8997.565       334.1320 0.000000       0.000000 8997.565       334.1320 ?        ?        553.3337 10.29628 0.000000       10.29628 
1 1 1 -11 17 10 o 238.9745 7.623074 1678.437       106.7029 0.000000       0.000000 1678.437       106.7029 ?        ?        238.9745 7.623074 0.000000       7.623074 
1 1 1 -11 17 11 o 323.8179 7.742987 3079.058       147.0483 0.000000       0.000000 3079.058       147.0483 ?        ?        323.8179 7.742987 0.000000       7.742987 
1 1 1 -11 17 12 o 156.5922 8.874580 722.7413       81.16842 0.000000       0.000000 722.7413       81.16842 ?        ?        156.5922 8.874580 0.000000       8.874580 
1 1 1 -11 17 13 o 249.5512 8.019471 1831.167       117.2173 0.000000       0.000000 1831.167       117.2173 ?        ?        249.5512 8.019471 0.000000       8.019471 
1 1 1 -11 17 14 f 387.9548 9.073868 4424.014       206.4544 0.000000       0.000000 4424.014       206.4544 ?        ?        387.9548 9.073868 0.000000       9.073868 
1 1 1 -11 17 15 o 118.4165 12.19859 417.4291       83.50665 0.000000       0.000000 417.4291       83.50665 ?        ?        118.4165 12.19859 0.000000       12.19859 
1 1 1 -11 17 16 f 423.7123 8.548940 5277.778       212.4388 0.000000       0.000000 5277.778       212.4388 ?        ?        423.7123 8.548940 0.000000       8.548940 
1 1 1 -11 17 17 o 316.0279 8.525935 2938.704       157.8778 0.000000       0.000000 2938.704       157.8778 ?        ?        316.0279 8.525935 0.000000       8.525935 
1 1 1 -11 17 18 o 266.3687 7.513584 2086.913       117.2592 0.000000       0.000000 2086.913       117.2592 ?        ?        266.3687 7.513584 0.000000       7.513584 
1 1 1 -11 17 19 o 34.53132 15.59821 -35.84411      67.26003 38.94943       348.3864 -38.73981      68.54968 89.28684 37.99212 34.60915 15.67904 54.67769       41.10028 
1 1 1 -11 17 20 o 118.5283 10.81626 417.5764       74.36059 289.9532       348.3230 423.6705       76.11526 107.4054 40.52157 119.3705 10.99585 -11.96510      41.98698 
1 1 1 -11 17 21 o 172.6555 8.262637 879.0515       83.42328 1152.828       386.8195 865.6967       85.43375 189.6772 36.09129 171.3042 8.530596 18.37296       37.08574 
1 1 1 -11 17 22 f 102.7752 12.67800 316.8847       74.79886 -181.3221      390.4489 335.8653       76.21037 81.79735 37.19967 105.8816 12.51436 -24.08421      39.24824 
1 1 1 -11 17 23 o 297.0602 7.517453 2596.941       130.8629 2276.744       461.7677 2624.903       136.4572 271.1803 29.50993 298.6157 7.798396 -27.43536      30.52296 
1 1 1 -11 17 24 o 267.7137 8.974504 2112.823       140.7075 0.000000       0.000000 2112.823       140.7075 ?        ?        267.7137 8.974504 0.000000       8.974504 
1 1 1 -11 17 25 o 209.4340 10.06562 1295.895       123.2721 0.000000       0.000000 1295.895       123.2721 ?        ?        209.4340 10.06562 0.000000       10.06562 
1 1 1 -11 17 26 o 281.8199 8.327018 2339.375       137.4786 0.000000       0.000000 2339.375       137.4786 ?        ?        281.8199 8.327018 0.000000       8.327018 
1 1 1 -11 17 27 o 42.89986 19.25498 -44.46620      100.6490 -68.54797      416.1494 -42.97001      103.7285 89.88928 39.82293 43.80945 19.61413 46.07983       44.39121 
1 1 1 -11 17 28 o 167.9143 9.667147 834.0435       94.79749 714.8940       400.3196 841.1219       97.57272 146.2491 43.48343 168.5902 9.912107 -22.34114      44.59886 
1 1 1 -11 17 29 o 218.6493 8.440813 1410.427       108.0355 1364.827       403.1345 1413.955       112.1372 205.7256 34.64217 218.8732 8.753538 -13.14757      35.73100 
1 1 1 -11 17 30 o 204.4753 9.157366 1235.976       109.5365 0.000000       0.000000 1235.976       109.5365 ?        ?        204.4753 9.157366 0.000000       9.157366 
1 1 1 -11 17 31 o 65.05198 19.86873 128.9041       82.77127 -177.3314      409.0941 141.9755       84.51932 82.27352 37.66813 67.84174 19.93115 14.43178       42.61618 
1 1 1 -11 17 32 o 376.8980 8.025428 4189.007       177.3955 3740.369       489.9389 4256.698       190.3083 347.6457 24.18077 379.7889 8.544070 -32.14325      25.64587 
1 1 1 -11 17 33 o 94.76297 16.22375 276.9135       86.92506 295.2573       413.1342 276.0638       88.91548 107.5178 43.09211 94.49991 16.65150 13.01793       46.19743 
1 1 1 -11 17 34 o 55.15447 22.37920 46.39226       112.9407 260.9911       422.0995 29.84369       117.2145 104.4692 42.92962 53.92227 22.43319 50.54691       48.43759 
1 1 1 -11 17 35 o 43.60770 18.49006 8.279366       82.02208 146.7042       394.1870 2.014759       83.85755 93.97828 40.21222 43.24188 18.52591 50.73640       44.27451 
1 1 1 -11 17 36 o 34.14033 15.94999 -70.11367      79.03172 -2.246980      337.4184 -74.05304      81.29308 79.20708 35.42520 34.43943 16.11800 44.76765       38.91959 
1 1 1 -11 17 37 o 157.0953 10.27106 740.4653       94.11102 693.3946       343.7284 744.2798       97.85005 132.0631 40.51831 157.3624 10.66555 -25.29929      41.89854 
1 1 1 -11 17 38 o 40.38877 17.60750 -5.896659      78.41059 375.3413       381.0307 -22.75511      80.12551 101.8549 41.18617 38.85509 17.32818 62.99979       44.68296 
1 1 1 -11 17 39 o 53.92229 19.93074 78.99184       83.40594 96.31540       382.3744 78.12643       85.46386 84.00650 37.63120 54.04189 20.13738 29.96461       42.68045 
1 1 1 -11 17 40 o 239.2081 8.826337 1712.480       123.6123 1298.524       355.4595 1769.428       131.8410 184.6406 34.08080 242.9055 9.271728 -58.26485      35.31948 
1 1 1 -11 17 41 o 40.85617 18.03840 -10.82113      84.68140 210.3179       343.9357 -25.09186      87.37106 85.03403 36.97602 39.95107 17.93504 45.08297       41.09613 
1 1 1 -11 17 42 o 125.5808 12.65164 488.3734       91.91085 434.4748       120.4306 563.5583       142.2373 115.0626 18.47136 130.8550 19.09674 -15.79243      26.56834 
1 1 1 -11 17 43 o 42.51341 18.90722 -12.80276      94.71629 -64.92101      131.4318 43.50861       136.6167 45.28173 20.95433 55.34743 23.67769 -10.06570      31.61830 
1 1 1 -11 17 44 o 50.67895 20.78124 52.40049       98.64144 127.2662       137.5611 -26.84019      141.5234 64.39459 25.16018 49.54716 22.47901 14.84743       33.73930 
1 1 1 -11 17 45 o 42.36809 19.42105 -42.70998      109.1844 -47.93386      162.4005 -38.40110      147.4937 50.91761 23.46611 49.36885 22.60856 1.548759       32.58536 
1 1 1 -11 17 46 o 41.25617 19.30540 -73.88564      116.5515 -139.3601      166.6837 -11.24670      163.0344 45.98081 21.97294 53.21972 24.13797 -7.238903      32.64126 
1 1 1 -11 17 47 o 117.2322 18.76664 466.4685       124.6774 528.9039       171.6241 396.6985       181.4249 118.5216 25.45084 97.92557 29.31105 20.59602       38.81858 
1 1 1 -11 18 1  o 330.4861 8.420292 3208.993       163.0711 0.000000       0.000000 3208.993       163.0711 ?        ?        330.4861 8.420292 0.000000       8.420292 
1 1 1 -11 18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 18 3  o 482.4167 10.55505 6838.584       298.6296 0.000000       0.000000 6838.584       298.6296 ?        ?        482.4167 10.55505 0.000000       10.55505 
1 1 1 -11 18 4  o 648.2651 13.41477 12365.46       510.0193 0.000000       0.000000 12365.46       510.0193 ?        ?        648.2651 13.41477 0.000000       13.41477 
1 1 1 -11 18 5  o 325.7404 8.523779 3117.997       162.6975 0.000000       0.000000 3117.997       162.6975 ?        ?        325.7404 8.523779 0.000000       8.523779 
1 1 1 -11 18 6  o 53.78110 18.40818 78.13591       69.86510 0.000000       0.000000 78.13591       69.86510 ?        ?        53.78110 18.40818 0.000000       18.40818 
1 1 1 -11 18 7  o 42.01398 16.73648 26.32843       61.93708 0.000000       0.000000 26.32843       61.93708 ?        ?        42.01398 16.73648 0.000000       16.73648 
1 1 1 -11 18 8  o 320.2766 7.696729 3011.882       144.5713 0.000000       0.000000 3011.882       144.5713 ?        ?        320.2766 7.696729 0.000000       7.696729 
1 1 1 -11 18 9  o 125.9588 9.998525 469.2324       73.25533 0.000000       0.000000 469.2324       73.25533 ?        ?        125.9588 9.998525 0.000000       9.998525 
1 1 1 -11 18 10 o 335.9246 7.759551 3313.952       152.8723 0.000000       0.000000 3313.952       152.8723 ?        ?        335.9246 7.759551 0.000000       7.759551 
1 1 1 -11 18 11 o 170.3239 8.373728 854.3056       83.38956 0.000000       0.000000 854.3056       83.38956 ?        ?        170.3239 8.373728 0.000000       8.373728 
1 1 1 -11 18 12 o 205.6575 7.840978 1244.201       94.39936 0.000000       0.000000 1244.201       94.39936 ?        ?        205.6575 7.840978 0.000000       7.840978 
1 1 1 -11 18 13 o 523.3199 9.790972 8054.149       300.4994 0.000000       0.000000 8054.149       300.4994 ?        ?        523.3199 9.790972 0.000000       9.790972 
1 1 1 -11 18 14 o 123.4219 14.80301 456.2018       105.0148 0.000000       0.000000 456.2018       105.0148 ?        ?        123.4219 14.80301 0.000000       14.80301 
1 1 1 -11 18 15 o 644.9717 11.47611 12255.33       434.0960 0.000000       0.000000 12255.33       434.0960 ?        ?        644.9717 11.47611 0.000000       11.47611 
1 1 1 -11 18 16 o 71.14312 18.06229 156.0063       75.48576 0.000000       0.000000 156.0063       75.48576 ?        ?        71.14312 18.06229 0.000000       18.06229 
1 1 1 -11 18 17 o 304.0818 8.631907 2721.792       153.7829 0.000000       0.000000 2721.792       153.7829 ?        ?        304.0818 8.631907 0.000000       8.631907 
1 1 1 -11 18 18 o 93.46147 13.99015 263.8561       74.32922 0.000000       0.000000 263.8561       74.32922 ?        ?        93.46147 13.99015 0.000000       13.99015 
1 1 1 -11 18 19 o 134.5790 10.28861 536.7800       80.58965 0.000000       0.000000 536.7800       80.58965 ?        ?        134.5790 10.28861 0.000000       10.28861 
1 1 1 -11 18 20 o 350.2280 7.370185 3606.452       151.3839 3895.652       480.1464 3574.531       159.5200 359.2073 22.91119 348.6186 7.802148 10.58878       24.20322 
1 1 1 -11 18 21 o 199.1455 8.027106 1168.651       93.55979 1627.876       424.0143 1145.149       95.92409 227.5569 32.71047 197.0940 8.317274 30.46284       33.75132 
1 1 1 -11 18 22 o 243.1377 7.886457 1740.928       112.3078 1801.827       446.6576 1736.818       116.0357 239.5069 32.64753 242.8137 8.159907 -3.306854      33.65182 
1 1 1 -11 18 23 o 58.27330 19.32515 96.80640       77.01157 -158.0962      421.7478 105.5988       78.32851 86.37466 39.03376 60.21788 19.46170 26.15678       43.61642 
1 1 1 -11 18 24 o 142.7264 12.59751 606.8110       104.3669 0.000000       0.000000 606.8110       104.3669 ?        ?        142.7264 12.59751 0.000000       12.59751 
1 1 1 -11 18 25 o 234.7439 8.550286 1624.118       117.5166 2154.823       502.7388 1593.444       120.8651 261.8388 33.50515 232.4670 8.881549 29.37184       34.66233 
1 1 1 -11 18 26 o 408.9636 8.293878 4922.557       198.9266 4698.907       587.8979 4951.475       211.3961 392.6681 25.66926 410.0701 8.789989 -17.40204      27.13254 
1 1 1 -11 18 27 o 144.4747 11.18071 620.0801       93.99858 235.8229       385.9003 644.3170       96.91772 105.0808 41.80333 147.2660 11.30800 -42.18516      43.30576 
1 1 1 -11 18 28 o 158.6859 10.24549 746.3456       94.84064 839.9182       366.7408 739.6394       98.18040 158.6522 39.55419 157.8983 10.66479 0.7539215      40.96671 
1 1 1 -11 18 29 o 326.6983 10.04840 3154.938       192.2993 0.000000       0.000000 3154.938       192.2993 ?        ?        326.6983 10.04840 0.000000       10.04840 
1 1 1 -11 18 30 o 295.0851 7.836972 2567.510       135.5069 2843.003       430.5089 2537.215       142.7634 303.5003 24.39170 293.2375 8.309693 10.26288       25.76832 
1 1 1 -11 18 31 o 427.8857 8.376845 5401.037       210.2126 4969.202       556.9630 5472.771       227.0018 401.4652 23.76155 430.5227 8.990478 -29.05750      25.40551 
1 1 1 -11 18 32 o 301.5197 7.994591 2683.491       141.2470 3106.800       490.1169 2645.149       147.5052 314.3163 26.84450 299.2513 8.413018 15.06497       28.13194 
1 1 1 -11 18 33 o 161.7240 10.48138 778.8182       98.87756 851.7095       420.7865 774.5581       101.7259 152.5658 44.37449 161.1982 10.82293 -8.632385      45.67528 
1 1 1 -11 18 34 o 81.21748 18.73883 208.9825       87.44169 246.3589       430.9117 207.3773       89.29958 103.0942 42.96109 80.82057 19.13748 22.27364       47.03082 
1 1 1 -11 18 35 o 136.2776 11.56976 558.8590       91.59642 390.5717       406.5707 567.8573       94.01334 108.9412 43.04559 137.3116 11.78830 -28.37041      44.63056 
1 1 1 -11 18 36 o 55.19085 19.50068 86.35889       78.72105 -137.3665      365.8515 97.22002       80.60923 74.68081 34.69727 57.48606 19.76985 17.19475       39.93429 
1 1 1 -11 18 37 o 53.92813 19.69818 79.16515       81.08179 -4.062356      367.9828 83.41206       83.12476 79.68913 36.19091 54.95639 19.96420 24.73275       41.33221 
1 1 1 -11 18 38 o 79.41656 18.11575 204.7260       82.50282 -303.7788      382.2304 229.5747       84.49457 68.29869 32.80620 84.37473 17.64364 -16.07604      37.24976 
1 1 1 -11 18 39 o 153.0757 10.83539 709.2802       96.64637 817.6188       376.9883 701.6591       99.98795 135.6807 42.56693 152.0435 11.29384 -16.36279      44.03969 
1 1 1 -11 18 40 o 36.72571 17.03894 -60.76292      87.74998 26.38645       360.0445 -66.26644      90.47829 76.81503 35.23197 36.94082 17.19414 39.87421       39.20370 
1 1 1 -11 18 41 o 100.2268 15.63528 320.7370       88.90660 595.3655       386.2090 305.3690       91.36031 110.4632 42.42943 97.25750 16.61323 13.20572       45.56595 
1 1 1 -11 18 42 o 165.3503 10.26888 830.7133       99.08999 822.1344       136.5158 840.2661       144.0569 161.7069 14.55017 162.9612 15.25012 -1.254318      21.07780 
1 1 1 -11 18 43 o 39.47853 18.07653 -42.28466      94.24074 -45.31250      131.4312 -39.08060      135.2019 46.60501 21.34254 47.73011 21.77745 -1.125092      30.49199 
1 1 1 -11 18 44 o 113.4658 16.76329 420.8806       108.1972 411.1586       157.4069 429.5883       148.9693 105.0698 25.74872 109.1202 23.93740 -4.050385      35.15673 
1 1 1 -11 18 45 o 47.58146 21.01658 4.699533       115.0679 41.66497       169.3379 -27.01120      156.8409 58.14020 25.59527 51.37452 23.44611 6.765682       34.71078 
1 1 1 -11 18 46 o 43.80970 20.09135 -40.75804      117.0377 53.70687       157.4532 -157.3977      174.9602 57.64683 25.04311 46.28284 22.22190 11.36399       33.48089 
1 1 1 -11 19 1  f 132.4964 10.48142 519.1880       80.78389 0.000000       0.000000 519.1880       80.78389 ?        ?        132.4964 10.48142 0.000000       10.48142 
1 1 1 -11 19 2  o 459.2353 10.15418 6197.908       273.4831 0.000000       0.000000 6197.908       273.4831 ?        ?        459.2353 10.15418 0.000000       10.15418 
1 1 1 -11 19 3  o 378.9548 8.950626 4218.397       198.9259 0.000000       0.000000 4218.397       198.9259 ?        ?        378.9548 8.950626 0.000000       8.950626 
1 1 1 -11 19 4  o 260.5406 8.043675 1995.273       122.7608 0.000000       0.000000 1995.273       122.7608 ?        ?        260.5406 8.043675 0.000000       8.043675 
1 1 1 -11 19 5  o 54.09267 18.31683 80.21285       69.14676 0.000000       0.000000 80.21285       69.14676 ?        ?        54.09267 18.31683 0.000000       18.31683 
1 1 1 -11 19 6  o 505.7359 9.771338 7516.839       289.8200 0.000000       0.000000 7516.839       289.8200 ?        ?        505.7359 9.771338 0.000000       9.771338 
1 1 1 -11 19 7  o 271.2089 7.488534 2161.468       118.9968 0.000000       0.000000 2161.468       118.9968 ?        ?        271.2089 7.488534 0.000000       7.488534 
1 1 1 -11 19 8  o 543.0906 10.05434 8671.258       320.2406 0.000000       0.000000 8671.258       320.2406 ?        ?        543.0906 10.05434 0.000000       10.05434 
1 1 1 -11 19 9  o 169.5979 8.039294 846.8053       79.73533 0.000000       0.000000 846.8053       79.73533 ?        ?        169.5979 8.039294 0.000000       8.039294 
1 1 1 -11 19 10 o 347.6322 7.807515 3549.882       159.1781 0.000000       0.000000 3549.882       159.1781 ?        ?        347.6322 7.807515 0.000000       7.807515 
1 1 1 -11 19 11 o 427.0692 8.651265 5360.443       216.6848 0.000000       0.000000 5360.443       216.6848 ?        ?        427.0692 8.651265 0.000000       8.651265 
1 1 1 -11 19 12 o 263.2794 7.455643 2037.893       115.0045 0.000000       0.000000 2037.893       115.0045 ?        ?        263.2794 7.455643 0.000000       7.455643 
1 1 1 -11 19 13 o 163.1543 8.618777 784.7513       82.17720 0.000000       0.000000 784.7513       82.17720 ?        ?        163.1543 8.618777 0.000000       8.618777 
1 1 1 -11 19 14 o 340.0731 7.992393 3399.277       159.4042 0.000000       0.000000 3399.277       159.4042 ?        ?        340.0731 7.992393 0.000000       7.992393 
1 1 1 -11 19 15 o 68.66832 18.90839 144.5425       78.55682 0.000000       0.000000 144.5425       78.55682 ?        ?        68.66832 18.90839 0.000000       18.90839 
1 1 1 -11 19 16 o 128.7568 11.25818 492.3599       84.15937 0.000000       0.000000 492.3599       84.15937 ?        ?        128.7568 11.25818 0.000000       11.25818 
1 1 1 -11 19 17 o 368.6094 7.936710 3995.391       171.5764 0.000000       0.000000 3995.391       171.5764 ?        ?        368.6094 7.936710 0.000000       7.936710 
1 1 1 -11 19 18 o 514.5870 8.942216 7794.314       269.8699 7584.078       679.8583 7833.637       294.0272 501.7353 23.16685 515.7067 9.721519 -13.97147      25.12391 
1 1 1 -11 19 19 o 299.8820 7.174180 2643.773       126.1750 3680.309       467.0729 2562.177       131.0471 349.0642 22.94262 295.0782 7.578783 53.98599       24.16199 
1 1 1 -11 19 20 o 312.5591 7.242469 2872.445       132.7606 3674.763       490.1086 2808.912       137.9169 348.0674 24.15918 309.0401 7.609431 39.02725       25.32922 
1 1 1 -11 19 21 o 38.65754 16.93095 -16.02183      73.23494 -222.6448      445.7646 -10.29008      74.24377 86.21142 39.41410 39.67103 17.21558 46.54039       43.00985 
1 1 1 -11 19 22 o 245.5966 9.126095 1778.833       131.2205 0.000000       0.000000 1778.833       131.2205 ?        ?        245.5966 9.126095 0.000000       9.126095 
1 1 1 -11 19 23 o 44.59999 20.37754 -75.78874      118.9113 -625.8553      494.6295 -42.04791      122.5040 77.76154 37.34314 48.32180 21.49577 29.43975       43.08803 
1 1 1 -11 19 24 o 238.4870 9.847526 1678.993       137.4380 1555.838       537.8461 1687.597       142.1577 216.8066 43.80869 239.0466 10.16317 -22.24001      44.97211 
1 1 1 -11 19 25 f 127.4681 13.59488 486.4396       100.0645 -422.2725      497.3160 524.7812       102.1538 84.20908 39.55556 132.5002 13.32662 -48.29107      41.74016 
1 1 1 -11 19 26 o 212.7176 8.984585 1335.308       111.8337 947.1876       454.8515 1360.281       115.3754 167.1929 45.28000 214.6704 9.185347 -47.47749      46.20226 
1 1 1 -11 19 27 o 139.2323 11.77619 577.3583       95.25922 1231.136       450.4680 546.7538       97.46335 192.0303 41.23071 135.3468 12.41666 56.68359       43.05978 
1 1 1 -11 19 28 o 445.1509 8.522718 5839.722       222.5030 5123.633       561.3965 5973.170       242.3505 409.7493 23.45956 450.0293 9.182323 -40.27997      25.19258 
1 1 1 -11 19 29 o 263.0207 9.541984 2045.521       146.9463 3289.286       460.2122 1904.319       155.0634 326.8420 24.17999 253.5574 10.44995 73.28465       26.34148 
1 1 1 -11 19 30 o 278.6151 7.936101 2290.158       129.5447 2131.115       412.4217 2307.568       136.4508 260.3304 27.42409 279.5868 8.330932 -19.25644      28.66156 
1 1 1 -11 19 31 o 93.29404 17.03504 269.4486       89.77335 -111.7226      408.9763 288.7445       92.01759 84.57901 38.30902 96.70897 16.83509 -12.12996      41.84497 
1 1 1 -11 19 32 o 133.4413 12.43317 534.5529       96.18250 1158.112       427.1364 501.2459       98.71784 181.3494 41.11232 128.9797 13.23808 52.36972       43.19109 
1 1 1 -11 19 33 o 169.5987 10.07993 856.1095       99.80840 699.8943       411.5997 865.8690       102.8789 137.5813 44.62468 170.5012 10.33697 -32.91998      45.80628 
1 1 1 -11 19 34 o 44.11341 18.45694 15.95403       80.01047 -872.9257      458.1300 43.91883       81.25932 64.19087 31.85551 48.54041 19.22374 15.65047       37.20652 
1 1 1 -11 19 35 o 43.12193 18.31731 8.816617       80.74538 226.1666       373.7319 -1.825676      82.69856 94.94218 39.81812 42.23034 18.24793 52.71184       43.80034 
1 1 1 -11 19 36 o 44.81375 18.44397 26.61087       78.07052 -596.2603      384.2592 53.42918       79.73351 61.23301 30.16268 49.33725 19.18992 11.89575       35.74969 
1 1 1 -11 19 37 o 41.82487 18.11409 -0.8848915     81.86294 128.5368       387.7868 -6.921519      83.75035 86.89938 38.47296 41.54909 18.15364 45.35028       42.54084 
1 1 1 -11 19 38 o 40.62838 17.80777 -8.352389      81.15526 -174.8177      377.4342 -0.2831586     83.09895 71.81087 33.95370 42.06353 18.23378 29.74733       38.53991 
1 1 1 -11 19 39 o 82.54551 18.67112 224.5280       88.26584 768.7941       327.3887 181.8659       91.65993 134.3441 39.16035 73.68710 20.47636 60.65697       44.19066 
1 1 1 -11 19 40 f 59.87360 20.88153 112.1076       90.06593 620.0886       352.3764 76.60205       93.16037 115.2834 41.20409 54.20049 20.83359 61.08290       46.17159 
1 1 1 -11 19 41 o 65.68034 21.41819 144.1591       94.74940 223.3200       370.0416 138.6050       98.01696 85.29015 37.67976 64.75169 21.80816 20.53845       43.53574 
1 1 1 -11 19 42 o 84.28157 19.69375 241.8605       95.58254 427.1774       133.3276 45.90985       137.0995 111.7404 21.11871 55.63141 23.75725 56.10897       31.78690 
1 1 1 -11 19 43 o 100.6876 17.71879 336.0697       100.8119 334.0609       143.1450 338.0464       142.0010 94.94702 25.26512 95.72283 25.01973 -0.7758102     35.55718 
1 1 1 -11 19 44 o 43.18428 19.65478 -33.26188      109.2685 45.51645       159.7695 -102.4900      149.7724 57.64628 25.13229 45.55058 21.49230 12.09571       33.06888 
1 1 1 -11 19 45 f 189.9404 11.48774 1114.935       127.3701 1022.656       180.5227 1206.413       179.7368 175.8391 17.74778 193.0697 16.01753 -17.23065      23.90701 
1 1 1 -11 19 46 o 106.5640 21.47762 402.4737       129.5871 320.6776       182.6709 485.3405       183.8626 87.53668 29.76992 110.2048 28.30176 -22.66816      41.07600 
1 1 1 -11 20 1  o 468.3828 10.15007 6449.465       278.8178 0.000000       0.000000 6449.465       278.8178 ?        ?        468.3828 10.15007 0.000000       10.15007 
1 1 1 -11 20 2  o 125.4291 9.874321 465.2940       72.05133 0.000000       0.000000 465.2940       72.05133 ?        ?        125.4291 9.874321 0.000000       9.874321 
1 1 1 -11 20 3  o 382.3847 11.05409 4304.420       247.6384 0.000000       0.000000 4304.420       247.6384 ?        ?        382.3847 11.05409 0.000000       11.05409 
1 1 1 -11 20 4  o 188.2254 7.932553 1042.426       87.37093 0.000000       0.000000 1042.426       87.37093 ?        ?        188.2254 7.932553 0.000000       7.932553 
1 1 1 -11 20 5  o 41.00537 16.81635 16.43923       64.60100 0.000000       0.000000 16.43923       64.60100 ?        ?        41.00537 16.81635 0.000000       16.81635 
1 1 1 -11 20 6  o 307.9250 8.005887 2787.158       144.4563 0.000000       0.000000 2787.158       144.4563 ?        ?        307.9250 8.005887 0.000000       8.005887 
1 1 1 -11 20 7  o 174.7072 7.899851 898.4461       80.73375 0.000000       0.000000 898.4461       80.73375 ?        ?        174.7072 7.899851 0.000000       7.899851 
1 1 1 -11 20 8  o 124.5124 9.985026 458.8620       72.30352 0.000000       0.000000 458.8620       72.30352 ?        ?        124.5124 9.985026 0.000000       9.985026 
1 1 1 -11 20 9  o 244.7078 7.785639 1761.046       111.5937 0.000000       0.000000 1761.046       111.5937 ?        ?        244.7078 7.785639 0.000000       7.785639 
1 1 1 -11 20 10 f 212.4552 7.605764 1327.797       94.61489 0.000000       0.000000 1327.797       94.61489 ?        ?        212.4552 7.605764 0.000000       7.605764 
1 1 1 -11 20 11 o 301.9559 7.730126 2680.957       136.7802 0.000000       0.000000 2680.957       136.7802 ?        ?        301.9559 7.730126 0.000000       7.730126 
1 1 1 -11 20 12 o 49.63342 17.69003 62.74969       64.90533 0.000000       0.000000 62.74969       64.90533 ?        ?        49.63342 17.69003 0.000000       17.69003 
1 1 1 -11 20 13 o 139.2753 13.73201 578.3588       110.7077 0.000000       0.000000 578.3588       110.7077 ?        ?        139.2753 13.73201 0.000000       13.73201 
1 1 1 -11 20 14 o 410.6957 9.525031 4964.281       229.4231 0.000000       0.000000 4964.281       229.4231 ?        ?        410.6957 9.525031 0.000000       9.525031 
1 1 1 -11 20 15 o 137.2810 10.92949 558.9179       87.26966 0.000000       0.000000 558.9179       87.26966 ?        ?        137.2810 10.92949 0.000000       10.92949 
1 1 1 -11 20 16 o 208.0792 8.721681 1276.245       106.1977 0.000000       0.000000 1276.245       106.1977 ?        ?        208.0792 8.721681 0.000000       8.721681 
1 1 1 -11 20 17 o 314.2458 8.627077 2908.275       158.8447 0.000000       0.000000 2908.275       158.8447 ?        ?        314.2458 8.627077 0.000000       8.627077 
1 1 1 -11 20 18 o 340.6844 7.753066 3413.685       154.9089 0.000000       0.000000 3413.685       154.9089 ?        ?        340.6844 7.753066 0.000000       7.753066 
1 1 1 -11 20 19 o 123.6940 11.17964 455.1553       80.22650 880.1296       479.1699 442.8988       81.37517 161.7209 47.44198 121.9502 11.51413 39.77070       48.81923 
1 1 1 -11 20 20 o 206.4469 8.310323 1256.299       100.4126 1285.747       476.6871 1254.931       102.7174 197.2180 42.46985 206.3087 8.507631 -9.090668      43.31360 
1 1 1 -11 20 21 o 92.38168 16.29574 260.9119       85.06387 -156.5008      454.8464 276.0402       86.59164 90.02895 40.62465 95.12798 16.09430 -5.099030      43.69655 
1 1 1 -11 20 22 o 344.1902 8.228498 3486.054       166.1000 2549.159       548.4219 3580.675       174.2858 285.1245 33.43084 348.7861 8.520248 -63.66159      34.49951 
1 1 1 -11 20 23 o 201.0806 9.604131 1193.986       112.9331 0.000000       0.000000 1193.986       112.9331 ?        ?        201.0806 9.604131 0.000000       9.604131 
1 1 1 -11 20 24 o 182.3789 10.05752 983.5654       107.1597 99.89844       531.8719 1020.954       109.4032 109.2523 46.72801 185.8202 10.07661 -76.56795      47.80215 
1 1 1 -11 20 25 o 108.9524 15.18454 359.1301       94.39368 -11.70759      490.9471 373.3651       96.18833 99.85413 43.78226 111.1358 15.15187 -11.28163      46.32996 
1 1 1 -11 20 26 o 419.0996 8.893839 5175.812       218.6035 0.000000       0.000000 5175.812       218.6035 ?        ?        419.0996 8.893839 0.000000       8.893839 
1 1 1 -11 20 27 o 231.1419 8.461027 1576.335       114.5035 1543.998       455.9007 1578.513       118.2954 217.3359 37.09797 231.2546 8.737934 -13.91876      38.11314 
1 1 1 -11 20 28 o 98.72321 16.65279 299.2944       92.99081 -109.6549      452.2147 317.3505       95.02153 89.95998 40.55808 101.7669 16.48420 -11.80695      43.77998 
1 1 1 -11 20 29 o 330.2754 9.354365 3224.360       181.0104 4249.607       556.7867 3103.198       191.4076 369.8648 25.83055 323.7940 10.09184 46.07083       27.73198 
1 1 1 -11 20 30 o 106.0137 19.34048 350.0670       115.8192 1099.444       457.3134 298.7073       119.7223 175.7539 44.36836 97.17201 21.57071 78.58185       49.33403 
1 1 1 -11 20 31 o 248.7984 8.571020 1830.194       124.8768 1863.756       483.4011 1827.794       129.2644 235.9946 36.06989 248.5598 8.881701 -12.56523      37.14729 
1 1 1 -11 20 32 o 213.2035 8.856460 1346.667       110.4990 1378.662       458.9138 1344.698       113.8486 197.0658 41.04213 212.9779 9.135949 -15.91205      42.04667 
1 1 1 -11 20 33 f 87.57966 17.67030 241.4492       87.62686 -343.6023      423.5969 267.6043       89.56416 74.79079 35.53965 92.47447 17.14555 -17.68369      39.45930 
1 1 1 -11 20 34 o 95.44467 16.07543 284.3376       86.78964 32.40322       408.9845 296.2177       88.81238 87.10899 38.97734 97.45245 16.10104 -10.34346      42.17199 
1 1 1 -11 20 35 o 103.7230 14.65368 333.2110       86.65983 136.4575       392.6256 343.2870       88.85112 89.49093 39.19824 105.2503 14.80273 -15.75933      41.90015 
1 1 1 -11 20 36 o 118.7525 13.05758 432.1412       89.44142 371.1082       407.8924 435.2240       91.67249 102.3972 42.15250 119.0625 13.35856 -16.66534      44.21859 
1 1 1 -11 20 37 o 221.4529 8.964463 1465.375       116.1870 2145.412       444.2035 1415.434       120.3778 244.3910 31.74089 217.4090 9.463681 26.98209       33.12167 
1 1 1 -11 20 38 o 85.89375 18.15785 240.6832       88.60422 -95.23042      374.2282 260.6320       91.19724 73.83346 34.56366 89.54224 17.99114 -15.70878      38.96572 
1 1 1 -11 20 39 o 81.89998 19.47213 224.0645       92.15159 -379.2371      373.3583 263.2013       95.09361 63.22136 30.84654 89.26881 18.76052 -26.04746      36.10355 
1 1 1 -11 20 40 f 69.24854 20.58072 161.9818       89.69164 -292.1589      396.5708 186.4644       92.07752 66.93215 32.45845 74.07574 20.49968 -7.143585      38.38995 
1 1 1 -11 20 41 o 74.21875 21.66487 191.0547       100.1409 389.9569       403.7921 178.0196       103.3702 93.91611 40.45006 71.68071 22.25970 22.23540       46.17035 
1 1 1 -11 20 42 o 50.18267 20.97622 42.27408       103.1949 -196.1878      382.2899 61.01572       107.1734 66.85187 32.28619 53.11664 21.70724 13.73523       38.90504 
1 1 1 -11 20 43 o 52.78841 21.63845 60.44964       106.8982 226.7179       154.6094 -91.83142      147.9633 77.72234 27.34034 46.01080 21.60104 31.71154       34.84393 
1 1 1 -11 20 44 o 62.67339 23.00795 130.5506       110.8325 315.0947       156.8392 -53.53150      156.6427 89.61366 27.34599 49.50978 22.89860 40.10388       35.66720 
1 1 1 -11 20 45 o 47.84557 21.54447 -12.81671      127.1556 70.51616       189.0979 -81.59704      171.7951 62.06551 27.19391 49.79367 23.34474 12.27184       35.83972 
1 1 1 -11 21 1  o 333.9656 8.443134 3279.403       165.2371 0.000000       0.000000 3279.403       165.2371 ?        ?        333.9656 8.443134 0.000000       8.443134 
1 1 1 -11 21 2  o 263.0391 7.780305 2034.249       119.8919 0.000000       0.000000 2034.249       119.8919 ?        ?        263.0391 7.780305 0.000000       7.780305 
1 1 1 -11 21 3  o 411.6428 9.397532 4981.874       226.8741 0.000000       0.000000 4981.874       226.8741 ?        ?        411.6428 9.397532 0.000000       9.397532 
1 1 1 -11 21 4  o 151.4343 9.095234 676.5478       80.40492 0.000000       0.000000 676.5478       80.40492 ?        ?        151.4343 9.095234 0.000000       9.095234 
1 1 1 -11 21 5  o 519.4718 10.98598 7942.494       334.6965 0.000000       0.000000 7942.494       334.6965 ?        ?        519.4718 10.98598 0.000000       10.98598 
1 1 1 -11 21 6  o 258.0752 7.990142 1958.879       120.7891 0.000000       0.000000 1958.879       120.7891 ?        ?        258.0752 7.990142 0.000000       7.990142 
1 1 1 -11 21 7  o 127.5786 9.684292 481.4848       71.91837 0.000000       0.000000 481.4848       71.91837 ?        ?        127.5786 9.684292 0.000000       9.684292 
1 1 1 -11 21 8  f 120.9270 10.45938 433.5945       73.45024 0.000000       0.000000 433.5945       73.45024 ?        ?        120.9270 10.45938 0.000000       10.45938 
1 1 1 -11 21 9  o 379.8580 8.143229 4241.191       181.4130 0.000000       0.000000 4241.191       181.4130 ?        ?        379.8580 8.143229 0.000000       8.143229 
1 1 1 -11 21 10 o 181.0652 8.242949 965.7756       87.30267 0.000000       0.000000 965.7756       87.30267 ?        ?        181.0652 8.242949 0.000000       8.242949 
1 1 1 -11 21 11 o 79.47749 33.52600 36.73685       267.3784 0.000000       0.000000 36.73685       267.3784 ?        ?        79.47749 33.52600 0.000000       33.52600 
1 1 1 -11 21 12 o 166.6755 11.38955 822.6686       110.6652 0.000000       0.000000 822.6686       110.6652 ?        ?        166.6755 11.38955 0.000000       11.38955 
1 1 1 -11 21 13 o 268.7665 7.659127 2125.191       120.6040 0.000000       0.000000 2125.191       120.6040 ?        ?        268.7665 7.659127 0.000000       7.659127 
1 1 1 -11 21 14 o 222.5216 8.274848 1458.436       107.8017 0.000000       0.000000 1458.436       107.8017 ?        ?        222.5216 8.274848 0.000000       8.274848 
1 1 1 -11 21 15 o 469.5213 9.017038 6489.312       248.2960 0.000000       0.000000 6489.312       248.2960 ?        ?        469.5213 9.017038 0.000000       9.017038 
1 1 1 -11 21 16 o 39.28316 16.92185 -5.735093      70.68627 0.000000       0.000000 -5.735093      70.68627 ?        ?        39.28316 16.92185 0.000000       16.92185 
1 1 1 -11 21 17 o 251.5518 7.931047 1863.294       116.8599 0.000000       0.000000 1863.294       116.8599 ?        ?        251.5518 7.931047 0.000000       7.931047 
1 1 1 -11 21 18 o 100.4235 14.14755 304.4575       81.01707 0.000000       0.000000 304.4575       81.01707 ?        ?        100.4235 14.14755 0.000000       14.14755 
1 1 1 -11 21 19 f 73.46384 19.77935 166.9636       87.09906 0.000000       0.000000 166.9636       87.09906 ?        ?        73.46384 19.77935 0.000000       19.77935 
1 1 1 -11 21 20 o 34.41816 16.14628 -83.93429      82.40067 0.000000       0.000000 -83.93429      82.40067 ?        ?        34.41816 16.14628 0.000000       16.14628 
1 1 1 -11 21 21 o 197.0692 9.363867 1146.520       107.9146 771.5959       493.5803 1165.341       110.5902 152.4977 48.81365 198.6615 9.519585 -46.16386      49.73324 
1 1 1 -11 21 22 o 260.2117 8.419022 1994.857       128.3119 3667.458       573.0298 1906.567       131.6549 345.4220 28.54082 254.3206 8.840279 91.10141       29.87857 
1 1 1 -11 21 23 o 134.2793 14.57341 540.7830       112.9299 0.000000       0.000000 540.7830       112.9299 ?        ?        134.2793 14.57341 0.000000       14.57341 
1 1 1 -11 21 24 f 69.58653 20.61972 147.7365       90.13924 91.22887       526.7542 149.4411       91.48872 107.9869 46.35097 69.99306 20.78187 37.99384       50.79664 
1 1 1 -11 21 25 o 302.6956 8.115882 2699.654       143.9462 2136.564       533.4842 2743.868       149.4909 257.7346 36.29791 305.1214 8.361825 -47.38678      37.24860 
1 1 1 -11 21 26 o 216.7952 9.042710 1388.178       114.7213 1276.429       505.8597 1394.237       117.7904 192.4084 45.54083 217.2296 9.267003 -24.82115      46.47413 
1 1 1 -11 21 27 o 115.7608 17.66824 410.6848       116.1569 629.7822       515.0334 398.9431       119.2287 137.7191 49.74082 113.8342 18.49314 23.88483       53.06736 
1 1 1 -11 21 28 o 346.5219 8.119418 3540.152       165.0084 3225.300       536.3541 3573.068       173.4193 319.8431 28.90494 348.0404 8.496051 -28.19730      30.12770 
1 1 1 -11 21 29 o 138.9962 12.07390 577.9333       97.44854 360.9453       464.9061 587.9050       99.66252 115.5218 45.90736 140.1593 12.24729 -24.63750      47.51296 
1 1 1 -11 21 30 o 87.74561 18.64956 241.4220       93.01137 -48.32914      478.4892 252.8004       94.82004 93.53135 41.98141 89.84260 18.60833 3.688751       45.92068 
1 1 1 -11 21 31 o 161.0480 11.07241 774.0168       103.9434 1808.358       535.1434 733.4642       105.9615 226.0679 41.90547 156.6140 11.61907 69.45392       43.48645 
1 1 1 -11 21 32 o 74.96311 19.53310 178.7567       86.72716 -158.6582      466.7036 190.8253       88.26454 85.78696 39.62329 77.42351 19.46268 8.363449       44.14523 
1 1 1 -11 21 33 o 236.0950 8.425465 1653.731       116.4754 1087.949       457.0808 1693.022       120.4519 165.2156 45.65533 238.8242 8.613836 -73.60858      46.46082 
1 1 1 -11 21 34 o 176.8995 9.788561 935.5362       101.1578 1343.636       438.6773 912.6166       103.9596 186.4773 41.21012 174.5702 10.19858 11.90707       42.45333 
1 1 1 -11 21 35 o 96.16021 16.71827 292.6534       90.86292 657.2623       431.4832 275.7345       92.94717 123.3382 45.37695 92.88324 17.70891 30.45493       48.71009 
1 1 1 -11 21 36 o 139.6736 11.29981 591.0497       91.77297 1132.488       431.5633 565.4056       93.92114 162.1347 44.18763 136.3693 11.86135 25.76543       45.75191 
1 1 1 -11 21 37 o 68.50146 20.42547 154.4830       88.23007 33.90657       410.9688 160.3090       90.33647 82.15730 37.66697 69.66537 20.64206 12.49193       42.95225 
1 1 1 -11 21 38 o 64.46098 20.91686 135.6868       90.42559 382.3468       427.1781 124.1158       92.52225 97.90111 41.87525 62.38607 21.18726 35.51504       46.93012 
1 1 1 -11 21 39 o 56.76434 20.84051 94.23668       90.93749 31.35096       438.3456 97.06488       92.95990 80.74162 37.66945 57.43993 21.07388 23.30168       43.16359 
1 1 1 -11 21 40 o 44.75136 19.21355 13.44688       90.55620 -624.2125      437.9887 41.92247       92.55608 61.72873 30.71936 48.76984 20.07829 12.95889       36.69901 
1 1 1 -11 21 41 o 89.30982 19.72009 271.2509       100.5255 344.2146       374.9544 265.6003       104.3455 90.15083 38.90467 87.81927 20.61514 2.331558       44.02906 
1 1 1 -11 21 42 o 93.79961 19.42338 299.3075       103.3306 -199.7310      394.0820 336.1504       107.0770 67.09358 32.49395 99.84975 18.97872 -32.75617      37.63042 
1 1 1 -11 21 43 f 132.3842 15.29927 563.4316       116.6006 651.8179       167.8741 481.0463       162.0750 136.9453 21.61835 114.3833 24.87082 22.56201       32.95316 
1 1 1 -11 21 44 o 71.37768 26.89962 184.9012       153.4032 166.3462       395.8755 188.1797       166.4047 78.12772 36.22789 72.03342 27.80311 6.094307       45.66698 
1 1 1 -11 21 45 o 50.43443 22.24973 16.13443       128.5960 7.295325       179.6900 25.41425       184.1151 56.18019 25.42482 57.92170 26.01627 -1.741505      36.37674 
1 1 1 -11 22 1  f 146.3677 9.318694 632.5840       79.57741 0.000000       0.000000 632.5840       79.57741 ?        ?        146.3677 9.318694 0.000000       9.318694 
1 1 1 -11 22 2  o 107.7314 11.83709 346.0060       73.55842 0.000000       0.000000 346.0060       73.55842 ?        ?        107.7314 11.83709 0.000000       11.83709 
1 1 1 -11 22 3  o 411.9442 8.114914 4987.438       196.0527 5329.579       404.5416 4882.414       224.1321 424.0885 16.29540 407.4295 9.379961 16.65906       18.80222 
1 1 1 -11 22 4  o 125.5254 10.25598 466.7923       74.84456 0.000000       0.000000 466.7923       74.84456 ?        ?        125.5254 10.25598 0.000000       10.25598 
1 1 1 -11 22 5  o 628.0803 12.69226 11633.98       467.5246 0.000000       0.000000 11633.98       467.5246 ?        ?        628.0803 12.69226 0.000000       12.69226 
1 1 1 -11 22 6  o 144.9840 9.013602 620.5844       76.26330 0.000000       0.000000 620.5844       76.26330 ?        ?        144.9840 9.013602 0.000000       9.013602 
1 1 1 -11 22 7  o 178.6566 8.434923 940.5214       88.12977 0.000000       0.000000 940.5214       88.12977 ?        ?        178.6566 8.434923 0.000000       8.434923 
1 1 1 -11 22 8  o 294.2416 7.725726 2546.367       133.2042 0.000000       0.000000 2546.367       133.2042 ?        ?        294.2416 7.725726 0.000000       7.725726 
1 1 1 -11 22 9  o 39.01623 17.47203 -35.96150      82.35847 0.000000       0.000000 -35.96150      82.35847 ?        ?        39.01623 17.47203 0.000000       17.47203 
1 1 1 -11 22 10 o 254.9631 7.444138 1912.197       111.1929 0.000000       0.000000 1912.197       111.1929 ?        ?        254.9631 7.444138 0.000000       7.444138 
1 1 1 -11 22 11 o 214.2634 7.740240 1351.417       97.10437 0.000000       0.000000 1351.417       97.10437 ?        ?        214.2634 7.740240 0.000000       7.740240 
1 1 1 -11 22 12 o 57.76427 20.45040 87.22717       86.61057 0.000000       0.000000 87.22717       86.61057 ?        ?        57.76427 20.45040 0.000000       20.45040 
1 1 1 -11 22 13 o 195.1938 8.081504 1122.591       92.31417 0.000000       0.000000 1122.591       92.31417 ?        ?        195.1938 8.081504 0.000000       8.081504 
1 1 1 -11 22 14 o 152.7388 9.118861 689.2827       81.31281 0.000000       0.000000 689.2827       81.31281 ?        ?        152.7388 9.118861 0.000000       9.118861 
1 1 1 -11 22 15 o 143.4802 9.536890 609.0536       79.79525 0.000000       0.000000 609.0536       79.79525 ?        ?        143.4802 9.536890 0.000000       9.536890 
1 1 1 -11 22 16 o 168.3109 9.639174 837.3616       94.75076 0.000000       0.000000 837.3616       94.75076 ?        ?        168.3109 9.639174 0.000000       9.639174 
1 1 1 -11 22 17 o 389.1825 8.522565 4458.220       194.5244 0.000000       0.000000 4458.220       194.5244 ?        ?        389.1825 8.522565 0.000000       8.522565 
1 1 1 -11 22 18 o 237.6950 9.200303 1666.501       128.0123 0.000000       0.000000 1666.501       128.0123 ?        ?        237.6950 9.200303 0.000000       9.200303 
1 1 1 -11 22 19 o 375.1165 9.726715 4149.158       213.8042 0.000000       0.000000 4149.158       213.8042 ?        ?        375.1165 9.726715 0.000000       9.726715 
1 1 1 -11 22 20 o 139.8228 12.16520 581.9158       98.76598 0.000000       0.000000 581.9158       98.76598 ?        ?        139.8228 12.16520 0.000000       12.16520 
1 1 1 -11 22 21 o 514.5973 10.09665 7806.477       304.7161 0.000000       0.000000 7806.477       304.7161 ?        ?        514.5973 10.09665 0.000000       10.09665 
1 1 1 -11 22 22 o 217.8627 9.245061 1400.723       117.8568 689.1040       565.8250 1432.998       120.4998 146.9913 52.24780 220.3475 9.345769 -73.35622      53.07708 
1 1 1 -11 22 23 o 185.7917 11.19919 1023.111       121.4625 0.000000       0.000000 1023.111       121.4625 ?        ?        185.7917 11.19919 0.000000       11.19919 
1 1 1 -11 22 24 o 52.52751 20.42748 53.52629       90.33769 384.9161       533.6397 43.74922       91.66063 124.0993 49.22653 51.30783 20.38577 72.79146       53.28068 
1 1 1 -11 22 25 o 59.34649 20.90308 94.62727       90.39609 -194.1987      488.9467 104.8488       91.98174 90.64748 41.38004 61.38354 21.11813 29.26394       46.45732 
1 1 1 -11 22 26 o 106.1415 15.79200 343.4572       95.31458 -104.7497      553.8284 357.1378       96.75828 99.34039 44.82684 108.3007 15.69024 -8.960304      47.49346 
1 1 1 -11 22 27 o 158.7123 11.27194 749.9517       104.2376 360.8218       520.5750 766.2052       106.3922 119.1647 48.15687 160.4075 11.38323 -41.24276      49.48396 
1 1 1 -11 22 28 o 207.5154 9.364300 1274.982       113.6726 1456.637       518.4303 1265.808       116.5077 202.9879 44.75423 206.7075 9.637070 -3.719604      45.78006 
1 1 1 -11 22 29 o 52.14940 20.68840 48.33533       94.26460 59.69312       537.8397 47.97538       95.74663 103.0734 45.48608 52.37937 20.82749 50.69407       50.02767 
1 1 1 -11 22 30 o 227.2651 9.304333 1530.859       123.7511 741.5323       536.6808 1575.184       127.1783 140.9035 50.79064 230.5045 9.427589 -89.60100      51.65819 
1 1 1 -11 22 31 o 167.6584 10.58048 838.4741       103.5048 1023.144       516.5434 830.7490       105.6475 160.5497 49.74333 166.8063 10.85833 -6.256592      50.91465 
1 1 1 -11 22 32 o 193.8209 9.404794 1118.057       106.5865 781.1630       473.7159 1136.022       109.3914 138.6935 47.91628 195.3219 9.578740 -56.62839      48.86432 
1 1 1 -11 22 33 o 240.6832 8.364214 1720.644       117.8856 1646.574       465.0097 1725.731       121.8667 210.1280 39.17435 240.9369 8.638429 -30.80896      40.11548 
1 1 1 -11 22 34 o 58.08129 20.36931 98.66431       85.77380 41.40470       487.0948 100.4967       87.13541 90.05595 41.18273 58.55414 20.53071 31.50182       46.01660 
1 1 1 -11 22 35 o 97.18971 16.50395 299.3151       90.71061 334.6925       479.8089 298.0038       92.37650 101.2795 43.85867 96.81226 16.88333 4.467270       46.99606 
1 1 1 -11 22 36 o 72.36942 20.43214 173.3025       90.49917 0.000000       0.000000 173.3025       90.49917 ?        ?        72.36942 20.43214 0.000000       20.43214 
1 1 1 -11 22 37 o 101.7782 16.35893 330.5393       94.33912 492.3501       437.5164 322.6493       96.61178 105.2643 43.52639 100.1951 17.05138 5.069199       46.74716 
1 1 1 -11 22 38 f 88.73823 19.03854 261.3882       96.11347 179.1712       434.7603 265.6129       98.55190 86.91402 39.41898 89.29704 19.37607 -2.383018      43.92366 
1 1 1 -11 22 39 o 139.2587 12.76544 600.1412       103.0991 713.9826       478.9486 594.6097       105.5741 113.0559 46.00680 138.3825 13.16694 -25.32659      47.85388 
1 1 1 -11 22 40 o 51.41563 20.65221 59.45087       95.11061 648.1876       406.8209 25.41134       97.82153 109.7597 43.15411 47.41185 20.15131 62.34784       47.62723 
1 1 1 -11 22 41 o 139.9207 13.54854 614.6967       109.7900 337.7191       405.7120 636.5825       114.0451 88.84335 39.34194 142.2005 13.85023 -53.35717      41.70872 
1 1 1 -11 22 42 o 55.07309 22.08797 76.70262       108.6222 -87.20845      407.5346 89.23750       112.6991 70.93424 34.02035 57.18953 22.64235 13.74471       40.86637 
1 1 1 -11 22 43 o 115.7424 17.99946 447.6553       118.2112 365.9659       160.5483 544.3791       174.6985 96.78452 27.17522 120.9289 25.43988 -24.14438      37.22473 
1 1 1 -11 22 44 o 113.0409 20.06728 440.9227       128.1650 418.5756       176.7666 465.6916       186.0986 102.0530 28.46432 107.4248 28.90711 -5.371712      40.56894 
1 1 1 -11 23 1  o 177.8218 8.290291 931.6625       86.22005 0.000000       0.000000 931.6625       86.22005 ?        ?        177.8218 8.290291 0.000000       8.290291 
1 1 1 -11 23 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 23 3  o 422.7119 16.66886 5303.846       412.4283 5303.846       412.4283 0.000000       0.000000 422.7119 16.66886 ?        ?        0.000000       16.66886 
1 1 1 -11 23 4  f 179.6060 8.607728 950.8353       90.40532 0.000000       0.000000 950.8353       90.40532 ?        ?        179.6060 8.607728 0.000000       8.607728 
1 1 1 -11 23 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 23 6  o 270.7791 8.062757 2157.635       127.8985 0.000000       0.000000 2157.635       127.8985 ?        ?        270.7791 8.062757 0.000000       8.062757 
1 1 1 -11 23 7  o 95.02217 13.02752 271.4989       70.69085 0.000000       0.000000 271.4989       70.69085 ?        ?        95.02217 13.02752 0.000000       13.02752 
1 1 1 -11 23 8  o 41.23301 16.82889 18.87275       64.31291 0.000000       0.000000 18.87275       64.31291 ?        ?        41.23301 16.82889 0.000000       16.82889 
1 1 1 -11 23 9  o 131.0325 9.628779 508.2327       73.47803 0.000000       0.000000 508.2327       73.47803 ?        ?        131.0325 9.628779 0.000000       9.628779 
1 1 1 -11 23 10 o 60.92873 17.84557 112.4542       67.84549 0.000000       0.000000 112.4542       67.84549 ?        ?        60.92873 17.84557 0.000000       17.84557 
1 1 1 -11 23 11 o 99.29790 17.96327 302.2059       100.7608 0.000000       0.000000 302.2059       100.7608 ?        ?        99.29790 17.96327 0.000000       17.96327 
1 1 1 -11 23 12 o 206.6530 7.764482 1257.727       93.93591 0.000000       0.000000 1257.727       93.93591 ?        ?        206.6530 7.764482 0.000000       7.764482 
1 1 1 -11 23 13 o 181.1537 11.34691 972.2013       119.9468 0.000000       0.000000 972.2013       119.9468 ?        ?        181.1537 11.34691 0.000000       11.34691 
1 1 1 -11 23 14 o 135.7409 10.22618 546.2282       80.81078 0.000000       0.000000 546.2282       80.81078 ?        ?        135.7409 10.22618 0.000000       10.22618 
1 1 1 -11 23 15 o 423.6175 9.777846 5288.207       242.9225 0.000000       0.000000 5288.207       242.9225 ?        ?        423.6175 9.777846 0.000000       9.777846 
1 1 1 -11 23 16 o 84.23141 17.00363 218.4919       81.09946 0.000000       0.000000 218.4919       81.09946 ?        ?        84.23141 17.00363 0.000000       17.00363 
1 1 1 -11 23 17 o 170.0834 10.37687 856.1318       103.0166 0.000000       0.000000 856.1318       103.0166 ?        ?        170.0834 10.37687 0.000000       10.37687 
1 1 1 -11 23 18 o 270.5335 8.788251 2156.937       139.2507 0.000000       0.000000 2156.937       139.2507 ?        ?        270.5335 8.788251 0.000000       8.788251 
1 1 1 -11 23 19 o 61.02234 21.18490 101.2179       92.64729 0.000000       0.000000 101.2179       92.64729 ?        ?        61.02234 21.18490 0.000000       21.18490 
1 1 1 -11 23 20 o 100.6547 17.31752 309.9245       98.54202 0.000000       0.000000 309.9245       98.54202 ?        ?        100.6547 17.31752 0.000000       17.31752 
1 1 1 -11 23 21 o 52.38219 20.22915 54.78630       88.12608 0.000000       0.000000 54.78630       88.12608 ?        ?        52.38219 20.22915 0.000000       20.22915 
1 1 1 -11 23 22 o 172.8472 11.87973 887.3657       119.6935 0.000000       0.000000 887.3657       119.6935 ?        ?        172.8472 11.87973 0.000000       11.87973 
1 1 1 -11 23 23 o 69.66296 21.34942 147.0997       95.46364 0.000000       0.000000 147.0997       95.46364 ?        ?        69.66296 21.34942 0.000000       21.34942 
1 1 1 -11 23 24 o 334.9774 8.365171 3306.186       164.3391 3554.935       619.7786 3287.375       170.4399 335.5102 31.88043 333.8439 8.712619 1.666351       33.04953 
1 1 1 -11 23 25 o 225.9638 9.154721 1509.250       121.0694 2515.671       582.8578 1463.868       123.7690 277.3304 36.73841 222.4653 9.508275 54.86510       37.94889 
1 1 1 -11 23 26 o 267.8139 8.486309 2117.731       133.1233 2256.592       537.0256 2108.639       137.4121 262.2946 35.84743 267.1731 8.781572 -4.878510      36.90738 
1 1 1 -11 23 27 o 95.28230 18.04291 282.1135       97.13464 852.1636       552.3947 263.9247       98.67213 152.1975 51.76863 91.86518 18.94389 60.33228       55.12587 
1 1 1 -11 23 28 o 114.3987 14.64410 397.4135       96.00035 741.0145       512.7606 384.9319       97.72843 142.9021 49.82502 112.4086 15.21442 30.49345       52.09617 
1 1 1 -11 23 29 o 302.7179 8.418024 2709.154       149.3059 3163.817       590.1960 2678.067       154.3257 310.1695 32.94842 300.8751 8.755153 9.294373       34.09180 
1 1 1 -11 23 30 o 150.1363 12.20112 676.7852       106.5073 658.1630       588.0704 677.4167       108.2983 133.3742 52.04740 150.1469 12.40928 -16.77269      53.50628 
1 1 1 -11 23 31 o 44.16032 18.85108 5.494594       86.25987 -1013.224      522.7382 34.01091       87.45885 67.32095 33.51178 48.26276 19.65240 19.05819       38.84915 
1 1 1 -11 23 32 o 38.53734 17.42217 -37.75833      84.11372 603.1333       491.3517 -57.10699      85.37399 122.3622 47.62503 37.00343 17.03931 85.35881       50.58144 
1 1 1 -11 23 33 o 60.19764 20.51376 109.3462       86.74323 -211.3956      513.1275 118.7818       88.00990 83.07703 39.37187 62.08134 20.66123 20.99569       44.46381 
1 1 1 -11 23 34 o 87.04400 17.89058 244.0052       88.27542 21.92019       513.9744 250.7555       89.60694 89.52250 41.43068 88.25438 17.92477 1.268120       45.14198 
1 1 1 -11 23 35 o 118.4652 14.32929 435.4576       97.53498 9.798734       498.7344 452.3846       99.45538 87.02996 40.46087 120.7776 14.31906 -33.74763      42.91990 
1 1 1 -11 23 36 o 48.36977 19.99002 35.28547       92.21445 378.8056       478.1947 22.01768       93.97839 99.85469 43.50777 46.98873 19.85154 52.86596       47.82269 
1 1 1 -11 23 37 o 80.94683 20.45331 221.3320       97.12109 393.1626       474.1768 213.8078       99.22470 98.11766 43.02423 79.33862 20.99970 18.77904       47.87559 
1 1 1 -11 23 38 o 53.49705 20.96225 70.83670       95.71423 592.4029       472.2543 48.49445       97.74278 106.7891 44.77149 50.64463 20.71750 56.14450       49.33256 
1 1 1 -11 23 39 o 64.46513 21.69566 138.4896       97.00893 545.9443       437.5373 117.4245       99.48498 102.5371 43.04843 60.93192 21.87987 41.60522       48.28971 
1 1 1 -11 23 40 o 94.67374 19.31043 303.0776       103.5820 475.7535       416.1165 291.6711       106.9484 96.88018 41.38121 92.18651 20.32875 4.693672       46.10491 
1 1 1 -11 23 41 o 57.38922 22.26878 94.12630       107.1739 239.9050       425.8714 84.26965       110.7378 83.90837 38.42269 56.38649 22.40591 27.52188       44.47840 
1 1 1 -11 23 42 o 114.7877 18.44563 442.1556       119.9707 430.3956       423.1555 443.1835       125.1040 91.10281 40.26842 114.2124 19.36829 -23.10956      44.68419 
1 1 1 -11 23 43 o 61.65225 26.24683 88.55083       166.4233 20.10919       409.7844 102.0690       182.1187 73.10769 34.80111 64.11972 27.38176 8.987968       44.28180 
1 1 1 -11 24 1  o 236.9315 7.608513 1651.875       105.5868 1912.987       314.8083 1618.778       112.0789 252.0915 21.49796 234.4818 8.162576 17.60974       22.99544 
1 1 1 -11 24 2  o 164.6905 8.870693 800.3105       85.36324 0.000000       0.000000 800.3105       85.36324 ?        ?        164.6905 8.870693 0.000000       8.870693 
1 1 1 -11 24 3  o 127.8555 10.53602 484.8680       78.30303 0.000000       0.000000 484.8680       78.30303 ?        ?        127.8555 10.53602 0.000000       10.53602 
1 1 1 -11 24 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 24 5  o 92.21948 13.55569 256.6463       71.12919 0.000000       0.000000 256.6463       71.12919 ?        ?        92.21948 13.55569 0.000000       13.55569 
1 1 1 -11 24 6  o 530.9506 11.27314 8314.451       351.0343 0.000000       0.000000 8314.451       351.0343 ?        ?        530.9506 11.27314 0.000000       11.27314 
1 1 1 -11 24 7  o 43.39352 17.63421 22.80509       70.25080 0.000000       0.000000 22.80509       70.25080 ?        ?        43.39352 17.63421 0.000000       17.63421 
1 1 1 -11 24 8  o 37.98303 16.38956 -6.486371      66.52773 0.000000       0.000000 -6.486371      66.52773 ?        ?        37.98303 16.38956 0.000000       16.38956 
1 1 1 -11 24 9  o 182.9803 8.550729 987.4203       91.50719 0.000000       0.000000 987.4203       91.50719 ?        ?        182.9803 8.550729 0.000000       8.550729 
1 1 1 -11 24 10 o 52.14546 21.25386 32.92181       102.4116 0.000000       0.000000 32.92181       102.4116 ?        ?        52.14546 21.25386 0.000000       21.25386 
1 1 1 -11 24 11 f 426.9776 8.932237 5367.509       223.6742 0.000000       0.000000 5367.509       223.6742 ?        ?        426.9776 8.932237 0.000000       8.932237 
1 1 1 -11 24 12 o 70.65297 17.14376 154.4273       70.30623 0.000000       0.000000 154.4273       70.30623 ?        ?        70.65297 17.14376 0.000000       17.14376 
1 1 1 -11 24 13 o 237.3066 7.979573 1658.630       110.8975 0.000000       0.000000 1658.630       110.8975 ?        ?        237.3066 7.979573 0.000000       7.979573 
1 1 1 -11 24 14 o 140.6237 10.34284 586.1852       84.70319 0.000000       0.000000 586.1852       84.70319 ?        ?        140.6237 10.34284 0.000000       10.34284 
1 1 1 -11 24 15 o 132.1190 11.13138 518.7105       85.44965 0.000000       0.000000 518.7105       85.44965 ?        ?        132.1190 11.13138 0.000000       11.13138 
1 1 1 -11 24 16 o 288.0249 8.446018 2443.652       142.5159 0.000000       0.000000 2443.652       142.5159 ?        ?        288.0249 8.446018 0.000000       8.446018 
1 1 1 -11 24 17 o 160.5680 11.15994 764.4559       104.4384 0.000000       0.000000 764.4559       104.4384 ?        ?        160.5680 11.15994 0.000000       11.15994 
1 1 1 -11 24 18 f 380.2584 10.98159 4270.119       244.6468 0.000000       0.000000 4270.119       244.6468 ?        ?        380.2584 10.98159 0.000000       10.98159 
1 1 1 -11 24 19 o 206.4960 10.04580 1260.039       121.2947 0.000000       0.000000 1260.039       121.2947 ?        ?        206.4960 10.04580 0.000000       10.04580 
1 1 1 -11 24 20 o 136.1599 12.87943 553.4514       101.6257 0.000000       0.000000 553.4514       101.6257 ?        ?        136.1599 12.87943 0.000000       12.87943 
1 1 1 -11 24 21 o 51.97322 20.54806 46.70137       92.69421 0.000000       0.000000 46.70137       92.69421 ?        ?        51.97322 20.54806 0.000000       20.54806 
1 1 1 -11 24 22 o 46.88955 19.92374 4.607559       95.57871 0.000000       0.000000 4.607559       95.57871 ?        ?        46.88955 19.92374 0.000000       19.92374 
1 1 1 -11 24 23 o 100.9582 17.32819 313.2389       98.90588 0.000000       0.000000 313.2389       98.90588 ?        ?        100.9582 17.32819 0.000000       17.32819 
1 1 1 -11 24 24 o 235.1778 9.202011 1634.920       126.6749 0.000000       0.000000 1634.920       126.6749 ?        ?        235.1778 9.202011 0.000000       9.202011 
1 1 1 -11 24 25 o 58.53685 21.33877 87.32205       95.08073 0.000000       0.000000 87.32205       95.08073 ?        ?        58.53685 21.33877 0.000000       21.33877 
1 1 1 -11 24 26 o 229.7419 8.984721 1561.083       120.8251 1795.111       561.8744 1549.736       123.7195 226.6517 43.85545 228.8485 9.237038 -2.196823      44.81767 
1 1 1 -11 24 27 o 59.34370 21.37279 93.05387       95.00791 -24.84722      475.0671 97.96582       96.96681 94.35492 42.12877 60.43199 21.61292 33.92293       47.34925 
1 1 1 -11 24 28 o 344.4161 8.440867 3504.461       170.4987 4243.787       636.5377 3447.318       176.9651 362.5632 30.21000 341.3605 8.846875 21.20270       31.47874 
1 1 1 -11 24 29 f 154.2982 14.46753 721.1162       129.3929 841.8657       544.3993 713.8864       133.2102 145.8059 51.30215 153.3335 15.00510 -7.527557      53.45151 
1 1 1 -11 24 30 f 195.9962 11.48913 1150.816       131.4851 1830.812       530.3295 1106.279       135.7227 222.3086 42.21953 191.9246 12.11978 30.38399       43.92469 
1 1 1 -11 24 31 o 114.9398 14.29042 405.6562       94.25669 -122.0213      510.7749 424.2591       95.90378 87.62219 40.80706 117.6163 14.18970 -29.99409      43.20374 
1 1 1 -11 24 32 o 112.4791 14.05207 389.6794       90.67975 817.1183       499.6129 375.1189       92.21129 134.1912 48.91518 110.1065 14.64239 24.08477       51.05972 
1 1 1 -11 24 33 o 57.96571 20.59716 97.66341       87.92839 -115.9188      500.6842 104.4601       89.31649 84.16765 39.58409 59.32537 20.78720 24.84228       44.71027 
1 1 1 -11 24 34 o 117.3903 14.24359 427.1752       96.05840 669.1006       509.6685 418.2650       97.81132 119.0246 47.80796 115.9378 14.71623 3.086769       50.02168 
1 1 1 -11 24 35 o 37.50557 17.39233 -63.57196      91.25973 347.5862       505.2986 -77.43547      92.78552 99.31657 43.94635 36.74732 17.20508 62.56925       47.19424 
1 1 1 -11 24 36 o 72.88941 21.31611 179.7292       96.86446 -376.3785      486.3995 202.6947       98.84433 72.05930 35.16945 77.26469 21.18391 -5.205383      41.05664 
1 1 1 -11 24 37 o 60.61375 21.82516 113.2652       99.06557 165.3246       504.2806 111.1755       101.0343 88.03535 40.84495 60.42414 22.00125 27.61121       46.39359 
1 1 1 -11 24 38 o 76.32339 21.64269 201.8276       101.3152 37.79992       490.0853 209.1507       103.5521 81.59051 38.61126 77.58808 21.83878 4.002426       44.35946 
1 1 1 -11 24 39 o 175.2886 11.61303 944.3670       118.7119 816.0795       457.5822 953.6245       122.9206 116.9481 45.83104 175.8862 11.98798 -58.93810      47.37295 
1 1 1 -11 24 40 o 45.01267 19.86716 -1.702366      102.6436 -511.0049      466.0144 24.26564       105.2279 64.29453 31.94458 48.26302 20.71627 16.03151       38.07388 
1 1 1 -11 24 41 o 49.15829 20.89649 33.93161       105.2151 -215.9100      466.1454 47.34343       108.0023 70.00600 34.22373 51.15741 21.42673 18.84860       40.37783 
1 1 1 -11 24 42 o 51.51286 22.31866 31.17246       124.3755 -6.085822      433.3049 34.51786       129.8393 73.38087 35.16346 52.59742 22.79603 20.78345       41.90619 
1 1 1 -11 24 43 o 65.88773 24.43192 151.2066       125.5136 613.3486       417.2165 105.2198       131.6104 99.14042 41.85294 60.21643 24.25662 38.92399       48.37408 
1 1 1 -11 25 1  o 294.1044 8.487903 2547.156       146.2507 0.000000       0.000000 2547.156       146.2507 ?        ?        294.1044 8.487903 0.000000       8.487903 
1 1 1 -11 25 2  o 91.75220 15.08037 255.8428       78.33147 0.000000       0.000000 255.8428       78.33147 ?        ?        91.75220 15.08037 0.000000       15.08037 
1 1 1 -11 25 3  o 228.2119 7.818417 1533.439       104.4879 2246.744       329.8893 1453.899       110.1596 273.2736 20.73837 222.1276 8.471608 51.14598       22.40197 
1 1 1 -11 25 4  o 226.6975 8.482548 1514.311       112.5789 0.000000       0.000000 1514.311       112.5789 ?        ?        226.6975 8.482548 0.000000       8.482548 
1 1 1 -11 25 5  o 91.56824 15.46998 255.3234       80.12137 0.000000       0.000000 255.3234       80.12137 ?        ?        91.56824 15.46998 0.000000       15.46998 
1 1 1 -11 25 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 25 7  o 227.5840 8.763633 1526.832       116.7519 0.000000       0.000000 1526.832       116.7519 ?        ?        227.5840 8.763633 0.000000       8.763633 
1 1 1 -11 25 8  o 139.2788 10.43906 575.1196       84.64974 0.000000       0.000000 575.1196       84.64974 ?        ?        139.2788 10.43906 0.000000       10.43906 
1 1 1 -11 25 9  o 283.3016 8.123528 2363.358       134.8328 0.000000       0.000000 2363.358       134.8328 ?        ?        283.3016 8.123528 0.000000       8.123528 
1 1 1 -11 25 10 o 96.41000 40.43254 99.81902       385.3377 0.000000       0.000000 99.81902       385.3377 ?        ?        96.41000 40.43254 0.000000       40.43254 
1 1 1 -11 25 11 o 70.59438 18.00327 154.2201       74.75907 0.000000       0.000000 154.2201       74.75907 ?        ?        70.59438 18.00327 0.000000       18.00327 
1 1 1 -11 25 12 o 132.8582 10.93021 524.2379       84.41366 0.000000       0.000000 524.2379       84.41366 ?        ?        132.8582 10.93021 0.000000       10.93021 
1 1 1 -11 25 13 o 156.8665 9.919383 728.0783       90.78951 0.000000       0.000000 728.0783       90.78951 ?        ?        156.8665 9.919383 0.000000       9.919383 
1 1 1 -11 25 14 o 24.86365 12.40412 -192.7108      73.28839 0.000000       0.000000 -192.7108      73.28839 ?        ?        24.86365 12.40412 0.000000       12.40412 
1 1 1 -11 25 15 o 55.10617 20.41701 71.63512       87.61852 0.000000       0.000000 71.63512       87.61852 ?        ?        55.10617 20.41701 0.000000       20.41701 
1 1 1 -11 25 16 o 149.4028 12.39334 664.1321       107.6156 0.000000       0.000000 664.1321       107.6156 ?        ?        149.4028 12.39334 0.000000       12.39334 
1 1 1 -11 25 17 o 206.6331 10.82536 1263.184       130.7300 0.000000       0.000000 1263.184       130.7300 ?        ?        206.6331 10.82536 0.000000       10.82536 
1 1 1 -11 25 18 o 240.0625 9.527048 1700.976       133.8659 0.000000       0.000000 1700.976       133.8659 ?        ?        240.0625 9.527048 0.000000       9.527048 
1 1 1 -11 25 19 o 194.8028 10.35304 1122.797       117.8559 0.000000       0.000000 1122.797       117.8559 ?        ?        194.8028 10.35304 0.000000       10.35304 
1 1 1 -11 25 20 o 186.5429 11.32997 1032.242       123.3688 0.000000       0.000000 1032.242       123.3688 ?        ?        186.5429 11.32997 0.000000       11.32997 
1 1 1 -11 25 21 o 288.9552 9.527965 2465.762       161.2452 0.000000       0.000000 2465.762       161.2452 ?        ?        288.9552 9.527965 0.000000       9.527965 
1 1 1 -11 25 22 o 134.3990 15.39388 545.4636       119.1504 0.000000       0.000000 545.4636       119.1504 ?        ?        134.3990 15.39388 0.000000       15.39388 
1 1 1 -11 25 23 o 109.2074 17.05738 365.6185       105.6779 0.000000       0.000000 365.6185       105.6779 ?        ?        109.2074 17.05738 0.000000       17.05738 
1 1 1 -11 25 24 o 277.9733 9.220486 2284.474       150.1087 0.000000       0.000000 2284.474       150.1087 ?        ?        277.9733 9.220486 0.000000       9.220486 
1 1 1 -11 25 25 o 308.5277 8.696695 2812.289       157.2047 0.000000       0.000000 2812.289       157.2047 ?        ?        308.5277 8.696695 0.000000       8.696695 
1 1 1 -11 25 26 o 201.0243 10.03270 1199.275       117.9077 0.000000       0.000000 1199.275       117.9077 ?        ?        201.0243 10.03270 0.000000       10.03270 
1 1 1 -11 25 27 o 121.1894 17.60882 453.0432       121.4945 1184.272       553.0280 415.9619       124.5370 174.4254 50.91151 115.5585 19.03820 58.86691       54.35472 
1 1 1 -11 25 28 o 40.84751 18.68441 -60.42637      100.3478 -591.1835      514.5441 -39.44149      102.3123 76.74947 37.16062 43.24540 19.41149 33.50406       41.92514 
1 1 1 -11 25 29 o 165.6218 11.11126 821.6910       107.3029 1073.486       552.9130 811.8365       109.3825 158.7175 51.73840 164.5284 11.40652 -5.810913      52.98085 
1 1 1 -11 25 30 o 52.13581 20.59819 54.76855       93.08870 506.0551       537.2215 40.79911       94.51849 117.0680 48.30234 50.39302 20.46341 66.67499       52.45824 
1 1 1 -11 25 31 o 75.92056 20.38856 188.1943       92.69119 -277.1346      547.1974 201.9409       94.05035 83.62835 39.92200 78.62260 20.26796 5.005745       44.77227 
1 1 1 -11 25 32 o 261.1404 8.605859 2031.589       131.6210 3390.651       572.5764 1955.766       135.2428 308.9227 32.06940 256.0172 9.021399 52.90558       33.31414 
1 1 1 -11 25 33 o 203.4888 9.806795 1242.134       116.6911 503.1462       524.6702 1280.591       119.6889 109.7730 46.66324 206.5735 9.908244 -96.80059      47.70358 
1 1 1 -11 25 34 o 161.9706 11.14034 795.2953       105.1797 592.4364       505.1559 804.4882       107.5366 112.1058 46.59926 162.8162 11.33254 -50.71041      47.95746 
1 1 1 -11 25 35 o 94.34605 18.56252 292.1678       99.04954 -446.9153      503.6374 321.9046       101.0225 71.69579 35.15885 99.45221 17.98193 -27.75642      39.49044 
1 1 1 -11 25 36 o 135.1907 13.80540 569.2832       107.9229 435.8301       501.6045 575.7609       110.5111 99.39696 43.89264 135.8082 14.07888 -36.41124      46.09532 
1 1 1 -11 25 37 o 72.32722 21.90236 180.0946       100.8734 252.7140       507.8195 177.1114       102.9244 90.02052 41.49026 71.73129 22.20110 18.28924       47.05667 
1 1 1 -11 25 38 f 42.98764 19.19968 -16.21275      98.75176 19.55152       453.2507 -17.99506      101.1825 78.30074 37.07738 43.31185 19.38306 34.98889       41.83821 
1 1 1 -11 25 39 o 53.62918 21.45840 70.62393       102.2698 640.2424       502.0721 45.96634       104.4599 102.2925 44.57518 50.71983 21.14529 51.57263       49.33630 
1 1 1 -11 25 40 o 49.15957 20.95752 31.69071       106.3654 -416.2730      504.9881 52.48714       108.8063 67.94829 33.67210 51.97476 21.61752 15.97353       40.01409 
1 1 1 -11 25 41 o 62.06481 23.31749 125.4978       115.0712 391.2463       491.4390 110.0824       118.3616 88.42511 40.77673 60.11499 23.38109 28.31012       47.00444 
1 1 1 -11 25 42 o 50.27567 21.91504 23.97732       121.4372 311.5920       445.7453 0.9186574      126.2113 84.43094 38.89881 48.83953 21.76654 35.59141       44.57465 
1 1 1 -11 26 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 26 2  o 165.6752 12.38109 815.4879       119.4305 1447.459       303.2656 699.4844       129.9301 217.7979 24.14734 152.9456 14.66457 64.85229       28.25143 
1 1 1 -11 26 3  o 100.8514 13.99668 306.7568       80.55760 0.000000       0.000000 306.7568       80.55760 ?        ?        100.8514 13.99668 0.000000       13.99668 
1 1 1 -11 26 4  o 227.8532 8.635668 1530.309       115.1900 0.000000       0.000000 1530.309       115.1900 ?        ?        227.8532 8.635668 0.000000       8.635668 
1 1 1 -11 26 5  o 638.7931 10.66128 12034.72       399.4110 13861.49       803.0406 11434.28       460.3968 680.2894 20.14987 621.9384 12.62218 58.35101       23.77681 
1 1 1 -11 26 6  o 237.7704 8.893944 1666.793       123.8045 0.000000       0.000000 1666.793       123.8045 ?        ?        237.7704 8.893944 0.000000       8.893944 
1 1 1 -11 26 7  o 88.31913 16.32722 238.9600       81.45586 187.6720       339.5107 242.0926       83.90657 98.12084 39.15225 88.83269 16.71880 9.288155       42.57249 
1 1 1 -11 26 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 26 9  f 174.8815 11.18489 906.1856       114.1152 0.000000       0.000000 906.1856       114.1152 ?        ?        174.8815 11.18489 0.000000       11.18489 
1 1 1 -11 26 10 o 218.5810 9.485707 1410.095       121.3103 0.000000       0.000000 1410.095       121.3103 ?        ?        218.5810 9.485707 0.000000       9.485707 
1 1 1 -11 26 11 o 275.9764 12.62185 2256.163       203.7484 0.000000       0.000000 2256.163       203.7484 ?        ?        275.9764 12.62185 0.000000       12.62185 
1 1 1 -11 26 12 o 246.7680 11.77750 1802.293       169.9563 0.000000       0.000000 1802.293       169.9563 ?        ?        246.7680 11.77750 0.000000       11.77750 
1 1 1 -11 26 13 o 361.8828 8.748821 3855.237       185.6812 0.000000       0.000000 3855.237       185.6812 ?        ?        361.8828 8.748821 0.000000       8.748821 
1 1 1 -11 26 14 o 150.0950 11.91353 669.5384       104.0117 0.000000       0.000000 669.5384       104.0117 ?        ?        150.0950 11.91353 0.000000       11.91353 
1 1 1 -11 26 15 o 525.2840 10.27036 8136.143       316.3956 0.000000       0.000000 8136.143       316.3956 ?        ?        525.2840 10.27036 0.000000       10.27036 
1 1 1 -11 26 16 o 122.8829 13.96588 453.0533       98.86571 0.000000       0.000000 453.0533       98.86571 ?        ?        122.8829 13.96588 0.000000       13.96588 
1 1 1 -11 26 17 o 167.6412 11.72867 834.5295       114.5860 0.000000       0.000000 834.5295       114.5860 ?        ?        167.6412 11.72867 0.000000       11.72867 
1 1 1 -11 26 18 o 488.3904 9.774460 7035.154       279.9693 0.000000       0.000000 7035.154       279.9693 ?        ?        488.3904 9.774460 0.000000       9.774460 
1 1 1 -11 26 19 o 219.1365 10.72076 1421.887       137.3633 0.000000       0.000000 1421.887       137.3633 ?        ?        219.1365 10.72076 0.000000       10.72076 
1 1 1 -11 26 20 o 182.4257 11.28882 988.1617       120.1855 0.000000       0.000000 988.1617       120.1855 ?        ?        182.4257 11.28882 0.000000       11.28882 
1 1 1 -11 26 21 o 156.7897 12.11147 733.0717       110.5064 0.000000       0.000000 733.0717       110.5064 ?        ?        156.7897 12.11147 0.000000       12.11147 
1 1 1 -11 26 22 o 314.7372 9.085159 2926.551       167.5238 0.000000       0.000000 2926.551       167.5238 ?        ?        314.7372 9.085159 0.000000       9.085159 
1 1 1 -11 26 23 o 92.43965 19.03315 267.1299       99.74644 0.000000       0.000000 267.1299       99.74644 ?        ?        92.43965 19.03315 0.000000       19.03315 
1 1 1 -11 26 24 o 197.6498 10.66158 1160.580       123.1283 0.000000       0.000000 1160.580       123.1283 ?        ?        197.6498 10.66158 0.000000       10.66158 
1 1 1 -11 26 25 o 210.8337 10.24673 1319.842       126.3204 0.000000       0.000000 1319.842       126.3204 ?        ?        210.8337 10.24673 0.000000       10.24673 
1 1 1 -11 26 26 o 269.4249 11.85988 2164.975       186.9403 0.000000       0.000000 2164.975       186.9403 ?        ?        269.4249 11.85988 0.000000       11.85988 
1 1 1 -11 26 27 o 43.40164 19.20979 -23.99908      96.61136 0.000000       0.000000 -23.99908      96.61136 ?        ?        43.40164 19.20979 0.000000       19.20979 
1 1 1 -11 26 28 o 136.3443 13.32779 563.7347       105.2132 0.000000       0.000000 563.7347       105.2132 ?        ?        136.3443 13.32779 0.000000       13.32779 
1 1 1 -11 26 29 o 112.7534 18.80447 402.9337       119.9719 793.1662       561.9995 384.3014       122.8026 133.9858 51.25369 109.6204 19.83126 24.36548       54.95653 
1 1 1 -11 26 30 o 78.11440 20.68258 199.8094       96.23006 489.7181       547.3505 190.5627       97.75266 113.3582 47.90062 76.26453 21.12832 37.09367       52.35337 
1 1 1 -11 26 31 o 114.8640 15.56836 411.8698       102.1790 872.5198       541.0903 394.8355       104.0510 133.4957 50.47337 112.1074 16.30306 21.38824       53.04103 
1 1 1 -11 26 32 f 143.7014 12.44404 629.9020       103.8426 917.7155       544.3582 619.0329       105.7852 133.9056 50.62618 142.2834 12.81426 -8.377838      52.22275 
1 1 1 -11 26 33 o 90.28048 19.45486 268.3506       99.96765 -363.9433      538.4099 290.9267       101.7367 77.34216 37.57942 94.28497 19.05485 -16.94282      42.13431 
1 1 1 -11 26 34 o 118.2061 15.26345 440.3535       103.3465 -98.05406      528.2936 461.7774       105.3826 82.15142 39.21954 121.1356 15.16497 -38.98417      42.04937 
1 1 1 -11 26 35 o 52.72620 20.94193 63.74784       96.69752 667.2531       480.1170 38.23251       98.72047 112.2048 45.91027 49.58495 20.60469 62.61989       50.32203 
1 1 1 -11 26 36 o 42.97452 19.07800 -12.86590      95.99954 804.5392       490.1573 -45.47147      97.89548 117.7471 47.02335 40.26997 18.43321 77.47714       50.50721 
1 1 1 -11 26 37 o 34.91651 16.68275 -107.1360      95.99625 -96.05315      448.5356 -107.6681      98.27335 74.60967 35.75862 35.42104 16.91163 39.18864       39.55606 
1 1 1 -11 26 38 o 73.45291 22.21406 190.5102       103.8127 -30.10690      446.6631 203.1081       106.7356 75.39722 36.01354 75.63641 22.44421 -0.2391891     42.43486 
1 1 1 -11 26 39 o 100.6599 19.33941 344.0174       110.0216 -345.8083      546.6277 373.1428       112.3202 71.56140 35.38520 105.2491 18.89070 -33.68772      40.11198 
1 1 1 -11 26 40 o 125.6984 17.17729 521.2109       123.3202 -44.34283      485.6391 560.1927       127.4994 74.63153 36.12716 130.4479 17.07511 -55.81633      39.95911 
1 1 1 -11 26 41 o 47.71652 21.12848 4.230895       116.9948 -628.2823      428.6558 55.14116       121.6120 58.32198 29.22964 53.60653 22.61145 4.715443       36.95470 
1 1 1 -11 27 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 27 2  f 288.1561 9.061416 2447.370       152.9446 0.000000       0.000000 2447.370       152.9446 ?        ?        288.1561 9.061416 0.000000       9.061416 
1 1 1 -11 27 3  o 110.8658 14.20845 369.8541       90.26261 0.000000       0.000000 369.8541       90.26261 ?        ?        110.8658 14.20845 0.000000       14.20845 
1 1 1 -11 27 4  o 240.0068 8.571153 1697.581       120.4524 2330.464       368.1374 1621.703       127.4687 277.4027 22.83001 234.4723 9.287984 42.93048       24.64703 
1 1 1 -11 27 5  o 347.7090 9.298703 3563.385       189.4518 0.000000       0.000000 3563.385       189.4518 ?        ?        347.7090 9.298703 0.000000       9.298703 
1 1 1 -11 27 6  o 363.6316 9.393814 3897.394       200.1660 0.000000       0.000000 3897.394       200.1660 ?        ?        363.6316 9.393814 0.000000       9.393814 
1 1 1 -11 27 7  o 168.0298 10.49035 835.7408       102.8619 0.000000       0.000000 835.7408       102.8619 ?        ?        168.0298 10.49035 0.000000       10.49035 
1 1 1 -11 27 8  o 26.66053 13.34751 -246.7533      88.27417 -882.1035      425.7311 -218.2106      90.23521 63.52570 31.37789 28.39350 14.09867 35.13220       34.39977 
1 1 1 -11 27 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 27 10 o 157.6016 48.23931 831.2476       487.5746 0.000000       0.000000 831.2476       487.5746 ?        ?        157.6016 48.23931 0.000000       48.23931 
1 1 1 -11 27 11 o 398.5807 10.11134 4685.857       236.1699 0.000000       0.000000 4685.857       236.1699 ?        ?        398.5807 10.11134 0.000000       10.11134 
1 1 1 -11 27 12 o 231.1674 9.725209 1577.471       131.5542 0.000000       0.000000 1577.471       131.5542 ?        ?        231.1674 9.725209 0.000000       9.725209 
1 1 1 -11 27 13 o 241.1567 9.696955 1716.602       136.8670 0.000000       0.000000 1716.602       136.8670 ?        ?        241.1567 9.696955 0.000000       9.696955 
1 1 1 -11 27 14 o 124.1341 14.34820 462.8114       102.5368 0.000000       0.000000 462.8114       102.5368 ?        ?        124.1341 14.34820 0.000000       14.34820 
1 1 1 -11 27 15 o 106.5725 15.72093 344.6657       95.31221 0.000000       0.000000 344.6657       95.31221 ?        ?        106.5725 15.72093 0.000000       15.72093 
1 1 1 -11 27 16 o 176.0900 11.63786 920.6216       119.5134 0.000000       0.000000 920.6216       119.5134 ?        ?        176.0900 11.63786 0.000000       11.63786 
1 1 1 -11 27 17 o 302.8557 9.448176 2707.527       167.6111 0.000000       0.000000 2707.527       167.6111 ?        ?        302.8557 9.448176 0.000000       9.448176 
1 1 1 -11 27 18 o 439.2513 10.45303 5699.755       269.2811 0.000000       0.000000 5699.755       269.2811 ?        ?        439.2513 10.45303 0.000000       10.45303 
1 1 1 -11 27 19 o 262.6096 9.195298 2037.347       141.4022 0.000000       0.000000 2037.347       141.4022 ?        ?        262.6096 9.195298 0.000000       9.195298 
1 1 1 -11 27 20 o 45.70790 19.84879 -10.97189      98.83066 0.000000       0.000000 -10.97189      98.83066 ?        ?        45.70790 19.84879 0.000000       19.84879 
1 1 1 -11 27 21 o 191.9010 10.99180 1094.202       123.1902 0.000000       0.000000 1094.202       123.1902 ?        ?        191.9010 10.99180 0.000000       10.99180 
1 1 1 -11 27 22 o 253.1005 9.427287 1895.680       139.6917 0.000000       0.000000 1895.680       139.6917 ?        ?        253.1005 9.427287 0.000000       9.427287 
1 1 1 -11 27 23 o 101.2593 19.34065 320.4520       110.6696 0.000000       0.000000 320.4520       110.6696 ?        ?        101.2593 19.34065 0.000000       19.34065 
1 1 1 -11 27 24 o 155.6043 13.35259 727.7789       120.6764 0.000000       0.000000 727.7789       120.6764 ?        ?        155.6043 13.35259 0.000000       13.35259 
1 1 1 -11 27 25 o 329.9044 9.017943 3222.781       174.3165 0.000000       0.000000 3222.781       174.3165 ?        ?        329.9044 9.017943 0.000000       9.017943 
1 1 1 -11 27 26 o 35.28678 16.86444 -125.6733      98.24680 0.000000       0.000000 -125.6733      98.24680 ?        ?        35.28678 16.86444 0.000000       16.86444 
1 1 1 -11 27 27 o 259.5210 9.107903 2001.302       138.4100 0.000000       0.000000 2001.302       138.4100 ?        ?        259.5210 9.107903 0.000000       9.107903 
1 1 1 -11 27 28 o 174.9209 10.91260 918.3923       111.3914 0.000000       0.000000 918.3923       111.3914 ?        ?        174.9209 10.91260 0.000000       10.91260 
1 1 1 -11 27 29 o 91.25397 19.46048 269.6996       100.9685 0.000000       0.000000 269.6996       100.9685 ?        ?        91.25397 19.46048 0.000000       19.46048 
1 1 1 -11 27 30 o 208.0670 10.28458 1299.579       125.1101 0.000000       0.000000 1299.579       125.1101 ?        ?        208.0670 10.28458 0.000000       10.28458 
1 1 1 -11 27 31 o 46.17026 19.82870 8.801885       96.50194 -114.3879      554.8351 12.64479       97.99557 86.34553 40.92669 46.92802 20.06414 39.41751       45.58030 
1 1 1 -11 27 32 o 91.91046 19.69477 278.5824       102.9678 1453.275       569.1663 238.8358       104.6953 166.5186 52.31186 84.34586 21.19364 82.17276       56.44201 
1 1 1 -11 27 33 o 84.81664 21.26894 244.0458       105.5940 28.86387       549.1027 252.3089       107.6023 86.88596 41.04309 86.20277 21.38682 0.6831970      46.28100 
1 1 1 -11 27 34 o 187.2317 10.74878 1063.947       117.5331 0.000000       0.000000 1063.947       117.5331 ?        ?        187.2317 10.74878 0.000000       10.74878 
1 1 1 -11 27 35 o 81.02042 20.73206 224.5415       98.90735 -80.19190      546.7703 234.8505       100.5664 81.13427 39.03978 82.87447 20.74204 -1.740196      44.20788 
1 1 1 -11 27 36 o 33.14195 16.04292 -134.4604      95.75777 -590.4517      527.4253 -118.9173      97.37612 67.71796 33.70160 34.48798 16.56385 33.22998       37.55208 
1 1 1 -11 27 37 f 46.92959 20.35068 13.98452       103.5926 436.1366       493.9109 -5.440734      105.9492 93.73986 42.31307 45.34126 20.09005 48.39860       46.84022 
1 1 1 -11 27 38 o 84.63952 21.91380 254.2901       109.6234 190.3449       527.6548 257.1746       112.0687 84.09811 39.87613 84.91869 22.24210 -0.8205719     45.65979 
1 1 1 -11 27 39 o 88.69012 22.64718 284.3290       118.1957 1168.160       520.4780 236.2713       121.3665 127.1085 49.14170 79.95618 23.98309 47.15232       54.68176 
1 1 1 -11 27 40 o 116.1800 20.56502 468.0406       134.9967 -512.3539      414.1612 584.5846       142.7953 59.53186 29.66582 131.4135 19.08540 -71.88165      35.27483 
1 1 1 -11 27 41 o 144.3821 15.18381 673.8731       126.6494 413.6044       409.2736 701.4355       133.1867 87.98894 39.20662 146.8617 15.70689 -58.87280      42.23583 
1 1 1 -11 28 1  o 291.8716 11.80792 2519.488       201.7058 2083.254       347.9463 2740.289       247.5443 262.2252 22.85299 303.9164 13.92528 -41.69116      26.76141 
1 1 1 -11 28 2  o 162.3100 11.45758 781.3856       108.3650 1284.997       349.1050 727.6871       113.9960 202.8285 30.27327 156.4268 12.53061 46.40167       32.76411 
1 1 1 -11 28 3  o 40.58498 18.34212 -48.73524      93.14518 0.000000       0.000000 -48.73524      93.14518 ?        ?        40.58498 18.34212 0.000000       18.34212 
1 1 1 -11 28 4  o 160.7387 11.83189 767.0012       110.7569 353.0728       383.6934 804.6266       115.6812 114.5826 42.67367 164.6151 12.06619 -50.03250      44.34676 
1 1 1 -11 28 5  o 209.1633 10.70129 1293.606       130.8357 0.000000       0.000000 1293.606       130.8357 ?        ?        209.1633 10.70129 0.000000       10.70129 
1 1 1 -11 28 6  o 157.7034 12.80525 740.0388       117.4167 0.000000       0.000000 740.0388       117.4167 ?        ?        157.7034 12.80525 0.000000       12.80525 
1 1 1 -11 28 7  o 386.0263 10.00784 4394.828       226.3818 0.000000       0.000000 4394.828       226.3818 ?        ?        386.0263 10.00784 0.000000       10.00784 
1 1 1 -11 28 8  o 267.4340 12.31463 2117.961       192.6289 0.000000       0.000000 2117.961       192.6289 ?        ?        267.4340 12.31463 0.000000       12.31463 
1 1 1 -11 28 9  o 113.8153 16.29434 392.5519       105.6653 943.8430       443.0857 359.3090       108.8045 167.9370 44.34104 108.4783 17.71296 59.45872       47.74805 
1 1 1 -11 28 10 o 130.2691 14.26719 508.7784       107.2201 0.000000       0.000000 508.7784       107.2201 ?        ?        130.2691 14.26719 0.000000       14.26719 
1 1 1 -11 28 11 o 233.4534 9.726094 1609.109       132.8730 0.000000       0.000000 1609.109       132.8730 ?        ?        233.4534 9.726094 0.000000       9.726094 
1 1 1 -11 28 12 o 234.3442 33.45611 1738.423       446.7743 0.000000       0.000000 1738.423       446.7743 ?        ?        234.3442 33.45611 0.000000       33.45611 
1 1 1 -11 28 13 o 201.0867 10.16191 1195.895       119.4537 0.000000       0.000000 1195.895       119.4537 ?        ?        201.0867 10.16191 0.000000       10.16191 
1 1 1 -11 28 14 o 299.5558 8.852368 2646.255       155.3499 0.000000       0.000000 2646.255       155.3499 ?        ?        299.5558 8.852368 0.000000       8.852368 
1 1 1 -11 28 15 o 252.7323 9.255761 1885.788       136.9586 0.000000       0.000000 1885.788       136.9586 ?        ?        252.7323 9.255761 0.000000       9.255761 
1 1 1 -11 28 16 o 241.0239 10.08711 1718.194       142.2710 0.000000       0.000000 1718.194       142.2710 ?        ?        241.0239 10.08711 0.000000       10.08711 
1 1 1 -11 28 17 o 73.83160 21.66770 168.6197       99.93442 0.000000       0.000000 168.6197       99.93442 ?        ?        73.83160 21.66770 0.000000       21.66770 
1 1 1 -11 28 18 o 317.3784 9.133595 2975.334       169.8313 0.000000       0.000000 2975.334       169.8313 ?        ?        317.3784 9.133595 0.000000       9.133595 
1 1 1 -11 28 19 f 125.2168 14.37645 473.3371       103.6630 0.000000       0.000000 473.3371       103.6630 ?        ?        125.2168 14.37645 0.000000       14.37645 
1 1 1 -11 28 20 o 195.4061 10.44080 1133.321       119.2183 0.000000       0.000000 1133.321       119.2183 ?        ?        195.4061 10.44080 0.000000       10.44080 
1 1 1 -11 28 21 o 106.0407 16.69414 345.5251       100.3928 0.000000       0.000000 345.5251       100.3928 ?        ?        106.0407 16.69414 0.000000       16.69414 
1 1 1 -11 28 22 o 140.8201 14.37549 598.8143       117.0603 0.000000       0.000000 598.8143       117.0603 ?        ?        140.8201 14.37549 0.000000       14.37549 
1 1 1 -11 28 23 o 243.6312 10.07326 1762.043       143.6203 0.000000       0.000000 1762.043       143.6203 ?        ?        243.6312 10.07326 0.000000       10.07326 
1 1 1 -11 28 24 o 277.5461 9.344138 2284.227       151.8816 0.000000       0.000000 2284.227       151.8816 ?        ?        277.5461 9.344138 0.000000       9.344138 
1 1 1 -11 28 25 o 77.21559 21.68975 191.3167       102.2522 0.000000       0.000000 191.3167       102.2522 ?        ?        77.21559 21.68975 0.000000       21.68975 
1 1 1 -11 28 26 o 78.15079 21.18277 197.7610       99.49645 0.000000       0.000000 197.7610       99.49645 ?        ?        78.15079 21.18277 0.000000       21.18277 
1 1 1 -11 28 27 o 212.8205 9.907762 1353.279       123.3235 0.000000       0.000000 1353.279       123.3235 ?        ?        212.8205 9.907762 0.000000       9.907762 
1 1 1 -11 28 28 o 52.23265 21.02533 50.65333       98.80412 0.000000       0.000000 50.65333       98.80412 ?        ?        52.23265 21.02533 0.000000       21.02533 
1 1 1 -11 28 29 o 101.0895 21.92547 339.1640       126.2399 0.000000       0.000000 339.1640       126.2399 ?        ?        101.0895 21.92547 0.000000       21.92547 
1 1 1 -11 28 30 o 139.4372 14.55769 601.9135       117.2962 0.000000       0.000000 601.9135       117.2962 ?        ?        139.4372 14.55769 0.000000       14.55769 
1 1 1 -11 28 31 o 40.30768 18.59549 -61.99587      102.3565 0.000000       0.000000 -61.99587      102.3565 ?        ?        40.30768 18.59549 0.000000       18.59549 
1 1 1 -11 28 32 o 46.85789 20.38087 4.428910       104.5484 0.000000       0.000000 4.428910       104.5484 ?        ?        46.85789 20.38087 0.000000       20.38087 
1 1 1 -11 28 33 o 71.18362 22.60810 172.0990       106.0428 -183.4309      591.3147 183.9130       107.7903 81.76854 39.64894 73.29111 22.72585 8.477432       45.70015 
1 1 1 -11 28 34 o 85.85152 20.68183 251.5385       102.8908 343.0038       603.5490 248.8008       104.4193 95.07655 44.30539 85.19350 21.02811 9.883057       49.04232 
1 1 1 -11 28 35 o 42.51392 19.17265 -26.83401      101.1365 -782.5372      581.6287 -3.272177      102.7010 67.64794 33.92412 45.14823 19.90209 22.49971       39.33115 
1 1 1 -11 28 36 o 64.61178 22.91382 139.3481       108.7728 -745.9530      593.7425 170.0922       110.6454 67.91292 34.08755 69.75397 23.16492 -1.841057      41.21377 
1 1 1 -11 28 37 o 84.09774 22.22160 252.0936       111.2281 16.15010       559.4294 261.8046       113.4940 80.20603 38.81341 85.63884 22.35986 -5.432808      44.79335 
1 1 1 -11 28 38 o 48.54796 21.18017 16.47634       113.6387 245.7339       554.0638 6.408850       116.1070 84.77668 40.38696 47.95304 21.14893 36.82364       45.58929 
1 1 1 -11 28 39 o 70.84412 24.93173 183.0313       128.5782 355.1172       452.8424 167.9413       134.0972 86.57980 39.63648 68.71796 25.29412 17.86185       47.01960 
1 1 1 -11 28 40 o 66.37516 24.72586 154.3791       128.8303 95.56140       438.1565 159.9452       134.7884 75.82723 36.06445 67.30396 25.24667 8.523270       44.02316 
1 1 1 -11 29 1  o 137.7915 14.75434 569.1636       117.3779 0.000000       0.000000 569.1636       117.3779 ?        ?        137.7915 14.75434 0.000000       14.75434 
1 1 1 -11 29 2  o 140.2533 13.79974 587.9203       112.0416 317.1848       357.4204 617.4234       117.9886 109.8414 41.13078 143.6865 14.18637 -33.84516      43.50856 
1 1 1 -11 29 3  o 327.8796 9.089809 3168.322       174.6226 2643.153       383.6252 3305.575       196.1183 295.6819 22.28644 334.7364 10.00120 -39.05450      24.42764 
1 1 1 -11 29 4  o 83.67667 21.02474 218.0803       103.0359 0.000000       0.000000 218.0803       103.0359 ?        ?        83.67667 21.02474 0.000000       21.02474 
1 1 1 -11 29 5  o 404.8424 10.17795 4835.215       241.4638 0.000000       0.000000 4835.215       241.4638 ?        ?        404.8424 10.17795 0.000000       10.17795 
1 1 1 -11 29 6  o 147.9617 12.88009 652.3951       110.6556 0.000000       0.000000 652.3951       110.6556 ?        ?        147.9617 12.88009 0.000000       12.88009 
1 1 1 -11 29 7  o 223.5577 9.932408 1476.227       129.9000 1390.366       449.5177 1484.050       135.6890 207.0074 38.44113 224.0806 10.35297 -17.07320      39.81086 
1 1 1 -11 29 8  o 38.36549 17.72080 -73.28552      93.35858 196.7700       441.0812 -85.95125      95.52278 107.1003 43.93368 37.88961 17.64625 69.21066       47.34510 
1 1 1 -11 29 9  o 341.0795 8.387619 3425.005       167.7818 3972.501       509.5353 3358.422       177.6915 361.3921 24.17971 337.5314 8.984385 23.86075       25.79491 
1 1 1 -11 29 10 o 238.4389 8.954771 1677.342       124.9999 2127.848       481.8217 1644.833       129.4314 259.9012 32.30550 236.0458 9.368208 23.85539       33.63642 
1 1 1 -11 29 11 o 165.5704 11.22248 813.6564       108.3299 0.000000       0.000000 813.6564       108.3299 ?        ?        165.5704 11.22248 0.000000       11.22248 
1 1 1 -11 29 12 o 256.5645 9.462368 1943.747       142.1354 0.000000       0.000000 1943.747       142.1354 ?        ?        256.5645 9.462368 0.000000       9.462368 
1 1 1 -11 29 13 o 147.1517 11.81774 644.7983       101.1314 0.000000       0.000000 644.7983       101.1314 ?        ?        147.1517 11.81774 0.000000       11.81774 
1 1 1 -11 29 14 f 269.6310 25.80939 2247.917       403.1533 0.000000       0.000000 2247.917       403.1533 ?        ?        269.6310 25.80939 0.000000       25.80939 
1 1 1 -11 29 15 o 386.8158 10.26686 4424.984       232.7063 0.000000       0.000000 4424.984       232.7063 ?        ?        386.8158 10.26686 0.000000       10.26686 
1 1 1 -11 29 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 29 17 o 40.17678 18.51056 -73.19466      100.9457 0.000000       0.000000 -73.19466      100.9457 ?        ?        40.17678 18.51056 0.000000       18.51056 
1 1 1 -11 29 18 o 258.6372 10.47980 1983.135       158.6333 0.000000       0.000000 1983.135       158.6333 ?        ?        258.6372 10.47980 0.000000       10.47980 
1 1 1 -11 29 19 o 141.1513 13.47665 598.7999       110.2096 0.000000       0.000000 598.7999       110.2096 ?        ?        141.1513 13.47665 0.000000       13.47665 
1 1 1 -11 29 20 o 45.82333 19.80550 -5.841507      97.46754 0.000000       0.000000 -5.841507      97.46754 ?        ?        45.82333 19.80550 0.000000       19.80550 
1 1 1 -11 29 21 o 105.8106 18.65616 348.8590       111.5423 0.000000       0.000000 348.8590       111.5423 ?        ?        105.8106 18.65616 0.000000       18.65616 
1 1 1 -11 29 22 o 266.2542 10.02917 2104.859       156.3274 0.000000       0.000000 2104.859       156.3274 ?        ?        266.2542 10.02917 0.000000       10.02917 
1 1 1 -11 29 23 f 235.8440 10.19848 1654.814       140.7288 0.000000       0.000000 1654.814       140.7288 ?        ?        235.8440 10.19848 0.000000       10.19848 
1 1 1 -11 29 24 f 154.3740 12.78897 719.3855       114.7491 0.000000       0.000000 719.3855       114.7491 ?        ?        154.3740 12.78897 0.000000       12.78897 
1 1 1 -11 29 25 o 42.83149 18.95230 -20.55317      93.97697 0.000000       0.000000 -20.55317      93.97697 ?        ?        42.83149 18.95230 0.000000       18.95230 
1 1 1 -11 29 26 o 217.5439 10.01156 1415.269       127.3894 0.000000       0.000000 1415.269       127.3894 ?        ?        217.5439 10.01156 0.000000       10.01156 
1 1 1 -11 29 27 o 175.3403 11.47002 928.0250       117.3020 0.000000       0.000000 928.0250       117.3020 ?        ?        175.3403 11.47002 0.000000       11.47002 
1 1 1 -11 29 28 o 196.5460 12.78667 1175.682       146.5912 0.000000       0.000000 1175.682       146.5912 ?        ?        196.5460 12.78667 0.000000       12.78667 
1 1 1 -11 29 29 o 52.01880 21.40720 43.73352       105.1576 0.000000       0.000000 43.73352       105.1576 ?        ?        52.01880 21.40720 0.000000       21.40720 
1 1 1 -11 29 30 o 51.88409 21.81594 34.16069       112.6379 0.000000       0.000000 34.16069       112.6379 ?        ?        51.88409 21.81594 0.000000       21.81594 
1 1 1 -11 29 31 o 67.37234 25.43840 137.3914       137.3368 0.000000       0.000000 137.3914       137.3368 ?        ?        67.37234 25.43840 0.000000       25.43840 
1 1 1 -11 29 32 o 159.0772 13.14362 782.1127       121.5301 0.000000       0.000000 782.1127       121.5301 ?        ?        159.0772 13.14362 0.000000       13.14362 
1 1 1 -11 29 33 o 63.87609 22.70192 131.1942       106.8217 0.000000       0.000000 131.1942       106.8217 ?        ?        63.87609 22.70192 0.000000       22.70192 
1 1 1 -11 29 34 o 105.3444 19.34045 371.6705       115.0872 0.000000       0.000000 371.6705       115.0872 ?        ?        105.3444 19.34045 0.000000       19.34045 
1 1 1 -11 29 35 o 44.19802 20.21663 -42.83210      117.4738 0.000000       0.000000 -42.83210      117.4738 ?        ?        44.19802 20.21663 0.000000       20.21663 
1 1 1 -11 29 36 o 48.85901 21.29713 15.57154       114.6812 -564.0580      604.4506 37.21539       116.8027 70.52202 35.24989 51.46785 21.95226 19.05417       41.52658 
1 1 1 -11 29 37 o 50.50014 21.52450 36.83345       112.1567 465.6132       534.2735 17.06691       114.7128 91.86010 42.41640 48.79607 21.28437 43.06403       47.45709 
1 1 1 -11 29 38 o 188.3478 12.95516 1111.953       142.2330 283.5464       518.3861 1179.395       147.9094 84.50111 39.90508 193.8711 13.08530 -109.3700      41.99572 
1 1 1 -11 29 39 f 71.97362 24.89365 192.2632       127.8726 133.0577       467.3282 197.0547       132.9463 77.98587 37.13483 72.61989 25.36711 5.365982       44.97206 
1 1 1 -11 30 1  o 169.3080 11.82819 851.1947       116.7095 1560.617       338.2936 755.3509       124.3436 225.1021 26.10868 159.1407 13.44845 65.96141       29.36875 
1 1 1 -11 30 2  o 243.6655 9.448337 1752.395       134.7647 2657.851       383.6000 1624.906       143.9398 296.1906 22.24549 234.4406 10.49543 61.74994       24.59706 
1 1 1 -11 30 3  o 52.77114 20.86627 47.97555       95.59895 0.000000       0.000000 47.97555       95.59895 ?        ?        52.77114 20.86627 0.000000       20.86627 
1 1 1 -11 30 4  o 316.4963 11.80992 2965.030       218.8283 2714.267       373.9763 3095.590       269.8477 299.5907 21.42604 322.7055 14.29357 -23.11478      25.75619 
1 1 1 -11 30 5  o 215.4053 10.45235 1372.497       131.6505 0.000000       0.000000 1372.497       131.6505 ?        ?        215.4053 10.45235 0.000000       10.45235 
1 1 1 -11 30 6  o 160.4468 12.29319 766.0375       114.7958 0.000000       0.000000 766.0375       114.7958 ?        ?        160.4468 12.29319 0.000000       12.29319 
1 1 1 -11 30 7  o 181.2625 17.59345 990.2784       184.6797 2198.771       464.9780 763.9300       201.2330 264.9906 30.47338 157.5897 22.40358 107.4010       37.82257 
1 1 1 -11 30 8  o 354.5005 8.714063 3702.609       181.1707 3744.998       486.1027 3695.771       195.2372 350.5105 23.78796 353.9106 9.414657 -3.400055      25.58325 
1 1 1 -11 30 9  o 136.2486 13.27880 555.5185       104.7616 0.000000       0.000000 555.5185       104.7616 ?        ?        136.2486 13.27880 0.000000       13.27880 
1 1 1 -11 30 10 o 221.0217 9.342896 1443.307       120.8332 2372.061       521.8459 1390.691       124.2088 273.0020 33.28009 216.8680 9.791019 56.13405       34.69046 
1 1 1 -11 30 11 o 35.40447 16.56482 -82.57356      85.75876 -853.1546      506.9263 -59.86987      87.01295 72.32062 35.42551 37.74593 17.31535 34.57468       39.43080 
1 1 1 -11 30 12 o 329.6216 9.196906 3208.195       177.6165 0.000000       0.000000 3208.195       177.6165 ?        ?        329.6216 9.196906 0.000000       9.196906 
1 1 1 -11 30 13 o 181.0513 10.71120 972.9418       113.2258 0.000000       0.000000 972.9418       113.2258 ?        ?        181.0513 10.71120 0.000000       10.71120 
1 1 1 -11 30 14 o 271.3671 10.01539 2179.487       159.1219 0.000000       0.000000 2179.487       159.1219 ?        ?        271.3671 10.01539 0.000000       10.01539 
1 1 1 -11 30 15 o 206.8124 10.73405 1269.466       129.7484 0.000000       0.000000 1269.466       129.7484 ?        ?        206.8124 10.73405 0.000000       10.73405 
1 1 1 -11 30 16 o 751.7525 28.26964 17729.46       1244.146 0.000000       0.000000 17729.46       1244.146 ?        ?        751.7525 28.26964 0.000000       28.26964 
1 1 1 -11 30 17 o 252.9324 9.799393 1894.818       145.0881 0.000000       0.000000 1894.818       145.0881 ?        ?        252.9324 9.799393 0.000000       9.799393 
1 1 1 -11 30 18 f 256.9659 9.953527 1957.072       149.7204 0.000000       0.000000 1957.072       149.7204 ?        ?        256.9659 9.953527 0.000000       9.953527 
1 1 1 -11 30 19 o 292.9590 9.565864 2542.438       164.1341 0.000000       0.000000 2542.438       164.1341 ?        ?        292.9590 9.565864 0.000000       9.565864 
1 1 1 -11 30 20 o 88.31699 21.14005 248.7512       108.0383 0.000000       0.000000 248.7512       108.0383 ?        ?        88.31699 21.14005 0.000000       21.14005 
1 1 1 -11 30 21 o 207.6064 10.72404 1284.286       130.1294 0.000000       0.000000 1284.286       130.1294 ?        ?        207.6064 10.72404 0.000000       10.72404 
1 1 1 -11 30 22 o 43.71704 19.35477 -23.50584      98.14170 0.000000       0.000000 -23.50584      98.14170 ?        ?        43.71704 19.35477 0.000000       19.35477 
1 1 1 -11 30 23 o 149.4167 12.88762 675.5635       111.8308 0.000000       0.000000 675.5635       111.8308 ?        ?        149.4167 12.88762 0.000000       12.88762 
1 1 1 -11 30 24 o 138.7241 13.99109 588.1385       112.2757 0.000000       0.000000 588.1385       112.2757 ?        ?        138.7241 13.99109 0.000000       13.99109 
1 1 1 -11 30 25 o 100.1258 19.16151 322.3544       108.4216 0.000000       0.000000 322.3544       108.4216 ?        ?        100.1258 19.16151 0.000000       19.16151 
1 1 1 -11 30 26 o 38.76766 18.03081 -75.11623      99.20352 0.000000       0.000000 -75.11623      99.20352 ?        ?        38.76766 18.03081 0.000000       18.03081 
1 1 1 -11 30 27 o 150.6873 13.06272 694.4553       114.3020 0.000000       0.000000 694.4553       114.3020 ?        ?        150.6873 13.06272 0.000000       13.06272 
1 1 1 -11 30 28 o 169.7573 12.04741 876.6573       119.1630 0.000000       0.000000 876.6573       119.1630 ?        ?        169.7573 12.04741 0.000000       12.04741 
1 1 1 -11 30 29 o 151.3181 13.75418 707.5193       120.7285 0.000000       0.000000 707.5193       120.7285 ?        ?        151.3181 13.75418 0.000000       13.75418 
1 1 1 -11 30 30 o 124.6184 16.37453 494.3231       116.7818 0.000000       0.000000 494.3231       116.7818 ?        ?        124.6184 16.37453 0.000000       16.37453 
1 1 1 -11 30 31 o 55.99687 22.28180 74.87037       109.6605 0.000000       0.000000 74.87037       109.6605 ?        ?        55.99687 22.28180 0.000000       22.28180 
1 1 1 -11 30 32 o 209.4285 11.04032 1336.132       135.1236 0.000000       0.000000 1336.132       135.1236 ?        ?        209.4285 11.04032 0.000000       11.04032 
1 1 1 -11 30 33 o 195.5379 12.00951 1176.673       137.0587 0.000000       0.000000 1176.673       137.0587 ?        ?        195.5379 12.00951 0.000000       12.00951 
1 1 1 -11 30 34 o 35.25467 17.19312 -175.9054      115.6024 0.000000       0.000000 -175.9054      115.6024 ?        ?        35.25467 17.19312 0.000000       17.19312 
1 1 1 -11 30 35 o 66.23911 24.11194 148.4108       121.3379 0.000000       0.000000 148.4108       121.3379 ?        ?        66.23911 24.11194 0.000000       24.11194 
1 1 1 -11 30 36 f 40.78622 19.23544 -91.15765      119.7172 0.000000       0.000000 -91.15765      119.7172 ?        ?        40.78622 19.23544 0.000000       19.23544 
1 1 1 -11 30 37 o 76.53342 24.85200 219.2794       127.6372 0.000000       0.000000 219.2794       127.6372 ?        ?        76.53342 24.85200 0.000000       24.85200 
1 1 1 -11 30 38 o 40.87431 19.29820 -90.53065      121.1078 -75.29009      490.8134 -91.51874      124.9721 73.01485 35.56780 41.53775 19.60908 31.47711       40.61508 
1 1 1 -11 31 1  o 171.7851 13.05675 879.5993       130.5588 0.000000       0.000000 879.5993       130.5588 ?        ?        171.7851 13.05675 0.000000       13.05675 
1 1 1 -11 31 2  f 303.0556 11.93457 2721.805       211.7043 2822.798       373.3828 2673.955       257.0086 305.3348 20.97851 299.5714 14.67303 5.763397       25.60070 
1 1 1 -11 31 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 31 4  o 349.9093 20.82498 3703.976       425.4236 3703.976       425.4236 0.000000       0.000000 349.9093 20.82498 ?        ?        0.000000       20.82498 
1 1 1 -11 31 5  o 89.37552 19.40788 248.9120       98.80888 852.9255       333.8274 190.9139       103.4440 160.9209 36.24559 78.27092 21.75384 82.64993       42.27260 
1 1 1 -11 31 6  o 161.9320 11.70442 780.0297       110.4060 1060.821       380.5999 754.2305       115.3666 179.1582 37.43121 159.0647 12.46629 20.09357       39.45255 
1 1 1 -11 31 7  o 322.6626 8.830178 3071.928       166.9399 4645.841       489.0900 2864.380       177.6061 391.2602 21.39580 311.3540 9.738391 79.90616       23.50780 
1 1 1 -11 31 8  o 352.5124 9.811192 3672.156       202.6395 0.000000       0.000000 3672.156       202.6395 ?        ?        352.5124 9.811192 0.000000       9.811192 
1 1 1 -11 31 9  o 436.2888 13.80278 5666.832       352.7316 0.000000       0.000000 5666.832       352.7316 ?        ?        436.2888 13.80278 0.000000       13.80278 
1 1 1 -11 31 10 o 355.7660 8.649719 3732.906       180.4750 4978.431       563.5950 3590.595       190.5065 402.5922 23.97857 348.6345 9.325650 53.95770       25.72819 
1 1 1 -11 31 11 o 242.5786 13.59180 1756.066       192.5927 1407.609       499.4103 1816.942       208.7388 201.6626 43.50542 246.4653 14.50512 -44.80266      45.85979 
1 1 1 -11 31 12 o 163.8647 11.56980 799.8488       110.4741 324.8416       504.7382 823.7494       113.2193 116.1346 47.24052 166.2810 11.68425 -50.14648      48.66404 
1 1 1 -11 31 13 o 257.2725 10.20196 1961.012       153.6263 0.000000       0.000000 1961.012       153.6263 ?        ?        257.2725 10.20196 0.000000       10.20196 
1 1 1 -11 31 14 o 267.1499 9.571122 2112.186       149.7153 0.000000       0.000000 2112.186       149.7153 ?        ?        267.1499 9.571122 0.000000       9.571122 
1 1 1 -11 31 15 o 372.5293 10.37517 4112.174       226.4557 0.000000       0.000000 4112.174       226.4557 ?        ?        372.5293 10.37517 0.000000       10.37517 
1 1 1 -11 31 16 o 143.6717 14.50681 623.2004       120.5620 0.000000       0.000000 623.2004       120.5620 ?        ?        143.6717 14.50681 0.000000       14.50681 
1 1 1 -11 31 17 o 98.03589 23.45811 308.4795       133.0676 0.000000       0.000000 308.4795       133.0676 ?        ?        98.03589 23.45811 0.000000       23.45811 
1 1 1 -11 31 18 o 87.23790 23.63059 244.6796       123.8676 0.000000       0.000000 244.6796       123.8676 ?        ?        87.23790 23.63059 0.000000       23.63059 
1 1 1 -11 31 19 o 257.6154 14.69175 2001.152       221.0506 0.000000       0.000000 2001.152       221.0506 ?        ?        257.6154 14.69175 0.000000       14.69175 
1 1 1 -11 31 20 o 40.22199 18.48067 -64.72085      99.66107 0.000000       0.000000 -64.72085      99.66107 ?        ?        40.22199 18.48067 0.000000       18.48067 
1 1 1 -11 31 21 o 116.5543 16.23837 420.5621       107.9899 0.000000       0.000000 420.5621       107.9899 ?        ?        116.5543 16.23837 0.000000       16.23837 
1 1 1 -11 31 22 o 105.2298 17.82416 349.2297       106.0788 0.000000       0.000000 349.2297       106.0788 ?        ?        105.2298 17.82416 0.000000       17.82416 
1 1 1 -11 31 23 o 71.53237 22.16320 165.0769       102.5418 0.000000       0.000000 165.0769       102.5418 ?        ?        71.53237 22.16320 0.000000       22.16320 
1 1 1 -11 31 24 o 35.49453 16.94340 -118.2347      98.54086 0.000000       0.000000 -118.2347      98.54086 ?        ?        35.49453 16.94340 0.000000       16.94340 
1 1 1 -11 31 25 o 87.47482 20.69815 252.5876       104.5186 0.000000       0.000000 252.5876       104.5186 ?        ?        87.47482 20.69815 0.000000       20.69815 
1 1 1 -11 31 26 o 136.1437 14.32445 572.9469       112.6620 0.000000       0.000000 572.9469       112.6620 ?        ?        136.1437 14.32445 0.000000       14.32445 
1 1 1 -11 31 27 f 171.7005 12.34190 899.2462       123.4517 0.000000       0.000000 899.2462       123.4517 ?        ?        171.7005 12.34190 0.000000       12.34190 
1 1 1 -11 31 28 o 279.0764 9.563547 2339.229       156.2970 0.000000       0.000000 2339.229       156.2970 ?        ?        279.0764 9.563547 0.000000       9.563547 
1 1 1 -11 31 29 o 135.6329 18.23462 595.3388       141.3769 0.000000       0.000000 595.3388       141.3769 ?        ?        135.6329 18.23462 0.000000       18.23462 
1 1 1 -11 31 30 o 51.02685 21.74470 28.83969       114.4235 0.000000       0.000000 28.83969       114.4235 ?        ?        51.02685 21.74470 0.000000       21.74470 
1 1 1 -11 31 31 o 101.5615 20.70037 350.1177       119.1107 0.000000       0.000000 350.1177       119.1107 ?        ?        101.5615 20.70037 0.000000       20.70037 
1 1 1 -11 31 32 o 118.8623 19.23300 471.1011       129.4961 0.000000       0.000000 471.1011       129.4961 ?        ?        118.8623 19.23300 0.000000       19.23300 
1 1 1 -11 31 33 o 45.89885 20.75806 -26.56325      119.5424 0.000000       0.000000 -26.56325      119.5424 ?        ?        45.89885 20.75806 0.000000       20.75806 
1 1 1 -11 31 34 o 64.94669 23.82167 140.5475       118.7697 0.000000       0.000000 140.5475       118.7697 ?        ?        64.94669 23.82167 0.000000       23.82167 
1 1 1 -11 31 35 o 65.71790 24.55401 145.8350       127.2328 0.000000       0.000000 145.8350       127.2328 ?        ?        65.71790 24.55401 0.000000       24.55401 
1 1 1 -11 31 36 o 80.36830 25.19401 244.6458       132.0880 0.000000       0.000000 244.6458       132.0880 ?        ?        80.36830 25.19401 0.000000       25.19401 
1 1 1 -11 31 37 o 199.4083 12.84448 1246.944       149.4150 0.000000       0.000000 1246.944       149.4150 ?        ?        199.4083 12.84448 0.000000       12.84448 
1 1 1 -11 32 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 32 2  o 342.6655 11.50420 3481.167       230.8667 3579.057       377.9423 3422.897       291.5921 344.3606 18.78492 338.6092 14.71855 5.751373       23.86439 
1 1 1 -11 32 3  o 342.0644 19.80324 3543.455       395.5797 3543.455       395.5797 0.000000       0.000000 342.0644 19.80324 ?        ?        0.000000       19.80324 
1 1 1 -11 32 4  o 265.1616 10.51202 2082.338       163.1495 0.000000       0.000000 2082.338       163.1495 ?        ?        265.1616 10.51202 0.000000       10.51202 
1 1 1 -11 32 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 32 6  o 276.9276 11.86061 2277.659       192.1837 2916.748       394.3150 2078.549       220.0947 308.9299 21.90579 263.7667 14.28110 45.16318       26.14983 
1 1 1 -11 32 7  o 45.84019 19.76374 -5.018618      96.58624 0.000000       0.000000 -5.018618      96.58624 ?        ?        45.84019 19.76374 0.000000       19.76374 
1 1 1 -11 32 8  o 67.99576 21.42734 139.8056       95.42247 -133.4905      379.8318 158.2161       98.58414 81.00433 36.78062 71.66447 21.64188 9.339867       42.67535 
1 1 1 -11 32 9  o 73.04134 21.13204 166.0864       95.65874 -180.3430      438.3438 183.4095       98.02126 85.01161 38.94786 76.46695 21.14697 8.544662       44.31851 
1 1 1 -11 32 10 o 99.87678 38.64011 259.4592       321.9581 21.57677       459.9786 487.9380       450.7954 96.04220 42.23615 124.1406 46.25067 -28.09838      62.63399 
1 1 1 -11 32 11 o 193.7364 16.75836 1135.376       188.5412 422.0039       463.5142 1276.810       206.3868 119.6298 46.34090 205.3274 17.29974 -85.69755      49.46473 
1 1 1 -11 32 12 f 137.3862 13.65715 567.9963       108.5853 -184.9735      446.3463 615.3627       111.9485 85.17896 39.12711 143.0914 13.49950 -57.91243      41.39043 
1 1 1 -11 32 13 o 75.57243 22.08367 178.9451       104.0010 -396.4475      442.2648 212.6257       107.0016 76.80278 36.44326 81.90193 21.86650 -5.099152      42.50006 
1 1 1 -11 32 14 o 112.4728 16.76197 388.7124       107.1947 794.6365       465.3027 365.9612       110.1577 146.9846 47.42787 108.7286 17.89727 38.25601       50.69236 
1 1 1 -11 32 15 f 242.0383 34.80584 1957.106       479.8783 0.000000       0.000000 1957.106       479.8783 ?        ?        242.0383 34.80584 0.000000       34.80584 
1 1 1 -11 32 16 o 244.4064 11.45030 1780.752       163.6707 0.000000       0.000000 1780.752       163.6707 ?        ?        244.4064 11.45030 0.000000       11.45030 
1 1 1 -11 32 17 o 258.0875 10.19546 1980.238       154.0171 0.000000       0.000000 1980.238       154.0171 ?        ?        258.0875 10.19546 0.000000       10.19546 
1 1 1 -11 32 18 o 36.07707 17.18864 -121.6747      100.4140 0.000000       0.000000 -121.6747      100.4140 ?        ?        36.07707 17.18864 0.000000       17.18864 
1 1 1 -11 32 19 f 88.69536 21.15817 254.5888       108.5147 0.000000       0.000000 254.5888       108.5147 ?        ?        88.69536 21.15817 0.000000       21.15817 
1 1 1 -11 32 20 o 155.7207 12.91889 734.5233       116.9227 0.000000       0.000000 734.5233       116.9227 ?        ?        155.7207 12.91889 0.000000       12.91889 
1 1 1 -11 32 21 o 78.45286 34.73562 37.67761       316.1542 0.000000       0.000000 37.67761       316.1542 ?        ?        78.45286 34.73562 0.000000       34.73562 
1 1 1 -11 32 22 o 143.3852 14.64280 632.7304       121.4075 0.000000       0.000000 632.7304       121.4075 ?        ?        143.3852 14.64280 0.000000       14.64280 
1 1 1 -11 32 23 o 117.5034 17.17724 435.9832       114.8763 0.000000       0.000000 435.9832       114.8763 ?        ?        117.5034 17.17724 0.000000       17.17724 
1 1 1 -11 32 24 o 96.30935 19.75879 303.0286       107.8580 0.000000       0.000000 303.0286       107.8580 ?        ?        96.30935 19.75879 0.000000       19.75879 
1 1 1 -11 32 25 o 37.11536 17.61092 -108.4662      103.2652 0.000000       0.000000 -108.4662      103.2652 ?        ?        37.11536 17.61092 0.000000       17.61092 
1 1 1 -11 32 26 o 142.0816 14.46950 627.1726       118.8901 0.000000       0.000000 627.1726       118.8901 ?        ?        142.0816 14.46950 0.000000       14.46950 
1 1 1 -11 32 27 o 39.68488 18.62877 -90.13529      109.9848 0.000000       0.000000 -90.13529      109.9848 ?        ?        39.68488 18.62877 0.000000       18.62877 
1 1 1 -11 32 28 o 260.5661 9.928990 2047.608       151.4531 0.000000       0.000000 2047.608       151.4531 ?        ?        260.5661 9.928990 0.000000       9.928990 
1 1 1 -11 32 29 f 42.89103 20.39498 -131.5401      139.9683 0.000000       0.000000 -131.5401      139.9683 ?        ?        42.89103 20.39498 0.000000       20.39498 
1 1 1 -11 32 30 o 88.75236 23.15466 278.6140       121.7687 0.000000       0.000000 278.6140       121.7687 ?        ?        88.75236 23.15466 0.000000       23.15466 
1 1 1 -11 32 31 f 140.5257 16.91310 639.4057       136.5904 0.000000       0.000000 639.4057       136.5904 ?        ?        140.5257 16.91310 0.000000       16.91310 
1 1 1 -11 32 32 o 49.73510 21.98382 4.534254       126.1232 0.000000       0.000000 4.534254       126.1232 ?        ?        49.73510 21.98382 0.000000       21.98382 
1 1 1 -11 32 33 o 57.39277 23.67159 76.77033       128.9611 0.000000       0.000000 76.77033       128.9611 ?        ?        57.39277 23.67159 0.000000       23.67159 
1 1 1 -11 32 34 o 56.77583 23.99457 65.41965       137.3757 0.000000       0.000000 65.41965       137.3757 ?        ?        56.77583 23.99457 0.000000       23.99457 
1 1 1 -11 32 35 o 157.4574 15.56938 800.8035       141.8955 0.000000       0.000000 800.8035       141.8955 ?        ?        157.4574 15.56938 0.000000       15.56938 
1 1 1 -11 32 36 o 69.13175 25.26945 173.0088       133.4681 0.000000       0.000000 173.0088       133.4681 ?        ?        69.13175 25.26945 0.000000       25.26945 
1 1 1 -11 33 1  o 225.8429 10.73164 1513.298       141.7356 1560.163       333.3882 1502.958       156.5915 223.2517 25.94548 224.7625 11.92203 -1.510788      28.55351 
1 1 1 -11 33 2  o 195.2063 11.32781 1133.044       129.1281 1546.149       362.2211 1072.902       138.2085 220.7225 28.65778 189.6515 12.49552 31.07100       31.26350 
1 1 1 -11 33 3  o 188.5344 11.39851 1057.416       125.4456 1212.045       340.9150 1033.201       134.9112 193.7688 31.04733 186.1035 12.43199 7.665207       33.44385 
1 1 1 -11 33 4  o 361.1157 19.10837 3952.245       403.2478 3952.245       403.2478 0.000000       0.000000 361.1157 19.10837 ?        ?        0.000000       19.10837 
1 1 1 -11 33 5  f 373.1955 19.21710 4223.292       419.1889 4223.292       419.1889 0.000000       0.000000 373.1955 19.21710 ?        ?        0.000000       19.21710 
1 1 1 -11 33 6  o 148.1719 12.63136 657.2261       108.7200 606.3362       327.6499 663.5225       115.2497 133.1115 39.27895 148.7074 13.35683 -15.59587      41.48783 
1 1 1 -11 33 7  o 142.5651 13.70846 611.1512       113.2067 0.000000       0.000000 611.1512       113.2067 ?        ?        142.5651 13.70846 0.000000       13.70846 
1 1 1 -11 33 8  o 87.42626 20.12495 240.9865       101.0489 569.7386       339.9420 209.1226       105.8327 128.9170 40.41797 81.31129 21.76376 47.60571       45.90505 
1 1 1 -11 33 9  o 90.19358 19.45774 255.6311       99.89799 165.4690       373.7692 262.5673       103.6694 96.37188 40.07348 91.32381 19.91818 5.048065       44.75061 
1 1 1 -11 33 10 o 168.7056 18.22294 869.9030       177.4433 1391.259       447.7930 772.7886       193.2644 201.2104 39.35733 157.6729 21.45606 43.53752       44.82591 
1 1 1 -11 33 11 o 135.5070 13.98579 554.3379       109.5524 478.8748       459.6129 558.8835       112.8037 121.9791 46.42560 135.9618 14.36360 -13.98267      48.59681 
1 1 1 -11 33 12 o 224.5158 10.16667 1496.950       133.5205 1957.962       481.3057 1458.514       138.9751 242.0030 34.92070 221.4495 10.73265 20.55354       36.53279 
1 1 1 -11 33 13 f 198.6136 11.38868 1176.796       132.1017 221.0331       488.1541 1252.319       137.2218 106.0379 45.04031 204.8838 11.46571 -98.84586      46.47679 
1 1 1 -11 33 14 o 102.3101 19.46902 329.6778       112.5523 0.000000       0.000000 329.6778       112.5523 ?        ?        102.3101 19.46902 0.000000       19.46902 
1 1 1 -11 33 15 o 45.06405 20.31076 -46.79112      113.3087 633.7913       453.7243 -92.05888      117.0163 130.1534 46.72759 42.23061 19.62147 87.92284       50.68008 
1 1 1 -11 33 16 o 137.0085 15.08634 573.5709       119.2181 0.000000       0.000000 573.5709       119.2181 ?        ?        137.0085 15.08634 0.000000       15.08634 
1 1 1 -11 33 17 o 48.89800 20.77141 13.41212       103.8354 0.000000       0.000000 13.41212       103.8354 ?        ?        48.89800 20.77141 0.000000       20.77141 
1 1 1 -11 33 18 o 245.6940 10.19281 1802.695       146.5530 0.000000       0.000000 1802.695       146.5530 ?        ?        245.6940 10.19281 0.000000       10.19281 
1 1 1 -11 33 19 o 76.62965 23.15494 192.0943       112.8271 0.000000       0.000000 192.0943       112.8271 ?        ?        76.62965 23.15494 0.000000       23.15494 
1 1 1 -11 33 20 o 118.3440 17.22361 440.7277       116.0368 0.000000       0.000000 440.7277       116.0368 ?        ?        118.3440 17.22361 0.000000       17.22361 
1 1 1 -11 33 21 o 79.85902 22.25139 212.0608       108.0814 0.000000       0.000000 212.0608       108.0814 ?        ?        79.85902 22.25139 0.000000       22.25139 
1 1 1 -11 33 22 o 217.3745 10.99790 1423.959       139.7511 0.000000       0.000000 1423.959       139.7511 ?        ?        217.3745 10.99790 0.000000       10.99790 
1 1 1 -11 33 23 o 122.2745 41.25167 636.8543       350.7063 0.000000       0.000000 636.8543       350.7063 ?        ?        122.2745 41.25167 0.000000       41.25167 
1 1 1 -11 33 24 o 111.2974 19.01620 402.1109       119.6703 0.000000       0.000000 402.1109       119.6703 ?        ?        111.2974 19.01620 0.000000       19.01620 
1 1 1 -11 33 25 o 98.88913 21.53398 329.6748       121.3417 0.000000       0.000000 329.6748       121.3417 ?        ?        98.88913 21.53398 0.000000       21.53398 
1 1 1 -11 33 26 o 162.3360 13.12466 813.0491       123.8904 0.000000       0.000000 813.0491       123.8904 ?        ?        162.3360 13.12466 0.000000       13.12466 
1 1 1 -11 33 27 o 193.3308 14.09150 1162.175       158.6779 0.000000       0.000000 1162.175       158.6779 ?        ?        193.3308 14.09150 0.000000       14.09150 
1 1 1 -11 33 28 o 174.8811 12.90401 945.3605       131.4160 0.000000       0.000000 945.3605       131.4160 ?        ?        174.8811 12.90401 0.000000       12.90401 
1 1 1 -11 33 29 o 93.71269 22.69011 308.8092       123.3601 0.000000       0.000000 308.8092       123.3601 ?        ?        93.71269 22.69011 0.000000       22.69011 
1 1 1 -11 33 30 o 55.46547 23.39416 54.39456       130.1644 0.000000       0.000000 54.39456       130.1644 ?        ?        55.46547 23.39416 0.000000       23.39416 
1 1 1 -11 33 31 o 115.1587 20.90549 455.9003       135.9927 0.000000       0.000000 455.9003       135.9927 ?        ?        115.1587 20.90549 0.000000       20.90549 
1 1 1 -11 33 32 o 49.77837 22.26950 -6.016079      133.4414 0.000000       0.000000 -6.016079      133.4414 ?        ?        49.77837 22.26950 0.000000       22.26950 
1 1 1 -11 33 33 o 55.06448 23.56636 51.38649       135.4365 0.000000       0.000000 51.38649       135.4365 ?        ?        55.06448 23.56636 0.000000       23.56636 
1 1 1 -11 33 34 o 53.99797 23.42250 39.52913       137.3059 0.000000       0.000000 39.52913       137.3059 ?        ?        53.99797 23.42250 0.000000       23.42250 
1 1 1 -11 33 35 o 151.0308 16.66559 749.7280       145.1654 0.000000       0.000000 749.7280       145.1654 ?        ?        151.0308 16.66559 0.000000       16.66559 
1 1 1 -11 34 1  o 194.0771 12.04428 1123.471       136.4144 572.4902       309.2083 1256.628       152.0069 129.2757 38.16027 205.1083 12.69886 -75.83257      40.21775 
1 1 1 -11 34 2  o 160.6823 13.35635 774.6962       124.7285 1479.026       328.2381 655.8307       134.8432 216.3833 26.41184 147.0377 15.88894 69.34564       30.82278 
1 1 1 -11 34 3  o 156.4300 13.62469 735.2828       123.7505 522.8439       349.4645 765.7415       132.3249 123.9070 41.16916 159.4684 14.30036 -35.56136      43.58211 
1 1 1 -11 34 4  o 235.6897 10.27131 1648.309       141.6358 1897.342       347.0843 1598.553       155.1409 246.5279 24.32244 231.7678 11.44904 14.76009       26.88236 
1 1 1 -11 34 5  o 469.7472 17.36497 6667.916       477.5739 6667.916       477.5739 0.000000       0.000000 469.7472 17.36497 ?        ?        0.000000       17.36497 
1 1 1 -11 34 6  o 235.3625 11.54563 1649.638       158.8832 0.000000       0.000000 1649.638       158.8832 ?        ?        235.3625 11.54563 0.000000       11.54563 
1 1 1 -11 34 7  o 309.5785 10.33974 2843.931       187.4655 0.000000       0.000000 2843.931       187.4655 ?        ?        309.5785 10.33974 0.000000       10.33974 
1 1 1 -11 34 8  o 187.5064 12.08768 1050.861       132.2177 0.000000       0.000000 1050.861       132.2177 ?        ?        187.5064 12.08768 0.000000       12.08768 
1 1 1 -11 34 9  o 127.1147 15.14340 491.8402       110.6765 478.5278       373.5337 493.1214       115.8800 118.7432 42.42504 127.0490 15.89915 -8.305809      45.30637 
1 1 1 -11 34 10 o 93.37769 19.58466 275.6860       103.8229 99.56127       397.4165 288.5867       107.5581 92.69276 40.02758 95.50679 19.85112 -2.814026      44.67969 
1 1 1 -11 34 11 o 144.2791 22.41103 658.6525       183.4828 74.33006       420.4777 796.0871       203.9223 92.77873 40.60340 158.8176 22.52466 -66.03885      46.43270 
1 1 1 -11 34 12 o 131.4936 15.15868 527.8362       114.7636 -67.50529      453.8204 568.5094       118.6191 88.19879 40.10862 136.5567 15.06111 -48.35789      42.84318 
1 1 1 -11 34 13 o 119.0626 16.15209 437.1642       109.8799 1154.308       448.0855 391.2809       113.3405 174.1422 43.89461 111.9283 17.86648 62.21396       47.39143 
1 1 1 -11 34 14 o 235.2739 10.16980 1650.443       139.9941 1416.622       480.3790 1672.144       146.3464 192.6075 43.55162 236.6620 10.57062 -44.05452      44.81608 
1 1 1 -11 34 15 o 63.36443 22.98982 112.0707       110.1830 175.1165       468.7853 108.3842       113.3586 97.94231 42.86756 63.14291 23.25369 34.79939       48.76845 
1 1 1 -11 34 16 o 78.82583 22.11239 203.2748       106.3510 531.8181       466.6187 185.2729       109.2257 117.1830 46.17293 75.51849 22.77441 41.66455       51.48411 
1 1 1 -11 34 17 o 124.1579 15.86863 478.7795       112.9108 0.000000       0.000000 478.7795       112.9108 ?        ?        124.1579 15.86863 0.000000       15.86863 
1 1 1 -11 34 18 o 55.44625 22.41744 57.41783       112.8668 0.000000       0.000000 57.41783       112.8668 ?        ?        55.44625 22.41744 0.000000       22.41744 
1 1 1 -11 34 19 o 125.8766 16.72137 497.3714       120.3928 0.000000       0.000000 497.3714       120.3928 ?        ?        125.8766 16.72137 0.000000       16.72137 
1 1 1 -11 34 20 o 163.1947 13.69119 816.4479       129.8313 0.000000       0.000000 816.4479       129.8313 ?        ?        163.1947 13.69119 0.000000       13.69119 
1 1 1 -11 34 21 o 157.8117 13.70412 765.0755       125.5793 0.000000       0.000000 765.0755       125.5793 ?        ?        157.8117 13.70412 0.000000       13.70412 
1 1 1 -11 34 22 o 191.7343 11.72194 1115.995       131.1805 0.000000       0.000000 1115.995       131.1805 ?        ?        191.7343 11.72194 0.000000       11.72194 
1 1 1 -11 34 23 o 37.96836 18.02319 -111.2794      108.3783 0.000000       0.000000 -111.2794      108.3783 ?        ?        37.96836 18.02319 0.000000       18.02319 
1 1 1 -11 34 24 o 43.65602 19.81277 -39.83961      110.0524 0.000000       0.000000 -39.83961      110.0524 ?        ?        43.65602 19.81277 0.000000       19.81277 
1 1 1 -11 34 25 o 101.8524 20.83028 349.3365       120.2269 0.000000       0.000000 349.3365       120.2269 ?        ?        101.8524 20.83028 0.000000       20.83028 
1 1 1 -11 34 26 f 154.1915 22.44312 807.7837       197.0002 0.000000       0.000000 807.7837       197.0002 ?        ?        154.1915 22.44312 0.000000       22.44312 
1 1 1 -11 34 27 o 116.0117 18.81320 444.6559       123.6210 0.000000       0.000000 444.6559       123.6210 ?        ?        116.0117 18.81320 0.000000       18.81320 
1 1 1 -11 34 28 o 101.9634 24.89104 377.0639       147.5257 0.000000       0.000000 377.0639       147.5257 ?        ?        101.9634 24.89104 0.000000       24.89104 
1 1 1 -11 34 29 o 52.74594 22.69391 33.79035       126.8407 0.000000       0.000000 33.79035       126.8407 ?        ?        52.74594 22.69391 0.000000       22.69391 
1 1 1 -11 34 30 o 59.84771 24.43621 91.47495       135.6656 0.000000       0.000000 91.47495       135.6656 ?        ?        59.84771 24.43621 0.000000       24.43621 
1 1 1 -11 34 31 o 64.16080 24.63266 132.3366       130.1271 0.000000       0.000000 132.3366       130.1271 ?        ?        64.16080 24.63266 0.000000       24.63266 
1 1 1 -11 34 32 o 55.57316 23.72338 55.56830       136.6163 0.000000       0.000000 55.56830       136.6163 ?        ?        55.57316 23.72338 0.000000       23.72338 
1 1 1 -11 34 33 o 71.61663 26.02818 188.5542       141.3127 0.000000       0.000000 188.5542       141.3127 ?        ?        71.61663 26.02818 0.000000       26.02818 
1 1 1 -11 34 34 o 102.0504 24.04193 387.5985       141.5094 0.000000       0.000000 387.5985       141.5094 ?        ?        102.0504 24.04193 0.000000       24.04193 
1 1 1 -11 35 1  o 274.3825 10.30743 2236.500       165.5711 1589.041       340.4949 2437.005       189.4816 223.1057 26.54222 286.0594 11.31666 -62.95367      28.85405 
1 1 1 -11 35 2  o 131.5630 17.68853 533.3962       133.0273 0.000000       0.000000 533.3962       133.0273 ?        ?        131.5630 17.68853 0.000000       17.68853 
1 1 1 -11 35 3  o 146.8596 15.90282 657.1556       134.7876 943.6972       318.9330 594.8484       148.7218 166.9445 33.73648 138.6227 18.77543 28.32176       38.60916 
1 1 1 -11 35 4  o 77.35044 29.79025 148.4792       190.7427 -528.6234      320.1870 520.9622       237.4814 57.69087 28.23728 123.8729 32.34511 -66.18204      42.93658 
1 1 1 -11 35 5  o 205.8550 11.16235 1264.010       134.2579 999.5642       346.3535 1310.771       145.6453 170.1958 35.83404 209.3964 11.90888 -39.20061      37.76109 
1 1 1 -11 35 6  o 144.9893 14.96873 638.8895       125.4555 0.000000       0.000000 638.8895       125.4555 ?        ?        144.9893 14.96873 0.000000       14.96873 
1 1 1 -11 35 7  o 146.3208 14.19352 648.8495       120.2717 0.000000       0.000000 648.8495       120.2717 ?        ?        146.3208 14.19352 0.000000       14.19352 
1 1 1 -11 35 8  o 189.2127 11.34986 1070.760       125.3690 1314.567       371.8350 1039.490       133.1664 196.4765 33.46778 186.1138 12.26858 10.36263       35.64562 
1 1 1 -11 35 9  o 83.10459 21.21164 222.6059       103.7179 78.37659       354.7939 236.0833       108.4556 86.44593 37.57292 85.48560 21.62144 0.9603348      43.34986 
1 1 1 -11 35 10 o 119.7875 25.81354 474.4048       175.9936 124.3331       345.3094 597.2515       204.5556 87.99137 37.64325 134.1664 26.93346 -46.17500      46.28634 
1 1 1 -11 35 11 o 181.9874 17.24104 1021.855       181.8214 1176.801       376.2742 974.6547       207.6769 181.1421 36.67833 175.9279 20.51250 5.214233       42.02454 
1 1 1 -11 35 12 o 172.4586 12.11755 896.2974       121.7803 43.66935       404.0834 981.4749       127.7185 87.05322 38.86234 180.4955 12.13579 -93.44229      40.71313 
1 1 1 -11 35 13 o 125.6882 15.18271 487.0911       109.6515 117.8717       445.6075 510.8889       113.1300 92.76461 41.14666 128.7182 15.28409 -35.95356      43.89363 
1 1 1 -11 35 14 o 101.7169 19.45964 332.3829       111.8575 175.2920       448.9011 342.7826       115.5008 95.00150 41.75333 103.1833 19.80644 -8.181755      46.21293 
1 1 1 -11 35 15 f 135.3041 14.66642 563.7695       114.5230 212.1113       471.6788 585.7989       118.0556 97.16708 42.74900 137.8748 14.83299 -40.70777      45.24925 
1 1 1 -11 35 16 o 40.11356 18.45289 -60.96860      99.77441 755.8068       459.8643 -101.3166      102.2091 129.9852 46.99406 37.55474 17.73022 92.43050       50.22750 
1 1 1 -11 35 17 o 121.2335 17.03620 463.3884       117.7911 0.000000       0.000000 463.3884       117.7911 ?        ?        121.2335 17.03620 0.000000       17.03620 
1 1 1 -11 35 18 o 110.3743 17.75352 388.4131       111.0252 519.2296       464.8805 380.5004       114.3338 111.2156 45.30061 108.8222 18.58113 2.393471       48.96328 
1 1 1 -11 35 19 o 62.67916 23.13549 112.9907       112.3174 0.000000       0.000000 112.9907       112.3174 ?        ?        62.67916 23.13549 0.000000       23.13549 
1 1 1 -11 35 20 f 91.86332 22.42110 285.7206       119.7179 0.000000       0.000000 285.7206       119.7179 ?        ?        91.86332 22.42110 0.000000       22.42110 
1 1 1 -11 35 21 o 46.27190 20.68813 -23.79459      114.9744 0.000000       0.000000 -23.79459      114.9744 ?        ?        46.27190 20.68813 0.000000       20.68813 
1 1 1 -11 35 22 o 107.6138 20.05099 383.8550       121.8929 0.000000       0.000000 383.8550       121.8929 ?        ?        107.6138 20.05099 0.000000       20.05099 
1 1 1 -11 35 23 o 76.53748 23.46916 202.5856       115.3415 0.000000       0.000000 202.5856       115.3415 ?        ?        76.53748 23.46916 0.000000       23.46916 
1 1 1 -11 35 24 o 53.53102 22.19781 50.94276       114.2382 0.000000       0.000000 50.94276       114.2382 ?        ?        53.53102 22.19781 0.000000       22.19781 
1 1 1 -11 35 25 o 214.1573 11.55611 1401.959       144.6051 0.000000       0.000000 1401.959       144.6051 ?        ?        214.1573 11.55611 0.000000       11.55611 
1 1 1 -11 35 26 o 60.97491 24.27031 100.1015       130.1470 0.000000       0.000000 100.1015       130.1470 ?        ?        60.97491 24.27031 0.000000       24.27031 
1 1 1 -11 35 27 o 121.8215 18.62671 491.9572       128.8583 0.000000       0.000000 491.9572       128.8583 ?        ?        121.8215 18.62671 0.000000       18.62671 
1 1 1 -11 35 28 o 61.67136 28.86237 -64.47361      260.6561 0.000000       0.000000 -64.47361      260.6561 ?        ?        61.67136 28.86237 0.000000       28.86237 
1 1 1 -11 35 29 o 64.35417 24.82833 131.1453       132.6593 0.000000       0.000000 131.1453       132.6593 ?        ?        64.35417 24.82833 0.000000       24.82833 
1 1 1 -11 35 30 o 72.13840 25.85017 189.6474       138.7866 0.000000       0.000000 189.6474       138.7866 ?        ?        72.13840 25.85017 0.000000       25.85017 
1 1 1 -11 35 31 o 175.3527 15.92984 995.4721       162.0368 0.000000       0.000000 995.4721       162.0368 ?        ?        175.3527 15.92984 0.000000       15.92984 
1 1 1 -11 35 32 o 52.71235 23.49412 11.39120       147.0660 0.000000       0.000000 11.39120       147.0660 ?        ?        52.71235 23.49412 0.000000       23.49412 
1 1 1 -11 36 1  o 191.5292 11.73358 1100.111       131.1677 640.7318       318.6295 1193.845       143.9289 132.1294 38.66621 199.3056 12.37444 -67.17624      40.59806 
1 1 1 -11 36 2  o 222.5518 10.87895 1479.744       141.5633 992.0143       324.4552 1594.423       157.3282 168.8920 33.93518 230.7181 11.66503 -61.82614      35.88411 
1 1 1 -11 36 3  o 185.7792 13.19614 1041.804       142.8428 0.000000       0.000000 1041.804       142.8428 ?        ?        185.7792 13.19614 0.000000       13.19614 
1 1 1 -11 36 4  o 262.5331 11.09991 2060.422       170.5191 0.000000       0.000000 2060.422       170.5191 ?        ?        262.5331 11.09991 0.000000       11.09991 
1 1 1 -11 36 5  o 393.3784 17.37575 4746.732       399.8820 4746.732       399.8820 0.000000       0.000000 393.3784 17.37575 ?        ?        0.000000       17.37575 
1 1 1 -11 36 6  o 117.1455 19.84031 435.7255       131.4488 0.000000       0.000000 435.7255       131.4488 ?        ?        117.1455 19.84031 0.000000       19.84031 
1 1 1 -11 36 7  o 169.2989 12.13005 863.6875       119.6409 1112.436       332.3563 826.6548       128.2379 178.7383 32.91816 165.1427 13.35438 13.59554       35.52386 
1 1 1 -11 36 8  o 292.0247 10.59647 2548.946       181.1801 0.000000       0.000000 2548.946       181.1801 ?        ?        292.0247 10.59647 0.000000       10.59647 
1 1 1 -11 36 9  o 155.6575 14.62387 741.5392       131.9367 1505.343       380.4354 637.1144       140.6669 208.0576 32.21850 143.0882 17.10061 64.96941       36.47551 
1 1 1 -11 36 10 o 164.0041 12.65649 815.0082       120.7947 410.1106       383.6692 859.5598       127.2669 107.0185 41.95860 168.3063 12.99386 -61.28779      43.92454 
1 1 1 -11 36 11 o 128.1345 25.38834 550.3957       184.0406 41.84700       435.5772 660.9141       203.0562 87.59689 39.61939 140.5900 25.56857 -52.99314      47.15345 
1 1 1 -11 36 12 o 43.34459 19.48284 -35.12830      103.4614 603.6437       446.1297 -71.43516      106.3610 119.9155 45.71574 40.85212 18.88536 79.06337       49.46297 
1 1 1 -11 36 13 o 136.3857 14.31388 572.4105       112.7883 436.5529       461.3380 581.0471       116.3181 108.0890 44.69513 137.2575 14.67732 -29.16848      47.04337 
1 1 1 -11 36 14 o 94.50829 20.18375 292.1186       108.4710 238.5234       439.3661 295.5972       111.9358 95.64391 41.68806 94.85237 20.70444 0.7915421      46.54641 
1 1 1 -11 36 15 o 117.5475 16.77197 435.7401       112.3490 300.6031       428.4081 445.7204       116.4237 97.97929 41.92273 118.6861 17.22894 -20.70683      45.32496 
1 1 1 -11 36 16 o 104.4825 18.13441 350.3201       107.0933 -47.86095      454.4923 373.7279       110.1962 82.81255 38.54223 108.0425 18.02556 -25.22990      42.54908 
1 1 1 -11 36 17 o 43.69017 19.63341 -31.59285      104.9955 -98.87247      436.5443 -27.46193      108.1708 79.15701 37.14366 44.75860 20.03509 34.39840       42.20256 
1 1 1 -11 36 18 o 54.55134 22.22768 56.55613       111.9701 145.6088       464.0136 51.05002       115.3797 89.49816 40.64336 54.39236 22.40784 35.10580       46.41114 
1 1 1 -11 36 19 o 101.0602 20.27081 338.7964       115.9602 1649.674       480.3029 257.6570       119.4951 195.0595 43.13204 86.55996 23.10681 108.4995       48.93156 
1 1 1 -11 36 20 o 106.4151 20.23125 376.4041       121.6494 0.000000       0.000000 376.4041       121.6494 ?        ?        106.4151 20.23125 0.000000       20.23125 
1 1 1 -11 36 21 o 90.95551 22.73873 286.1974       120.9595 0.000000       0.000000 286.1974       120.9595 ?        ?        90.95551 22.73873 0.000000       22.73873 
1 1 1 -11 36 22 o 112.1752 19.49559 416.6851       123.6051 0.000000       0.000000 416.6851       123.6051 ?        ?        112.1752 19.49559 0.000000       19.49559 
1 1 1 -11 36 23 f 148.3281 15.33634 695.7070       131.4903 0.000000       0.000000 695.7070       131.4903 ?        ?        148.3281 15.33634 0.000000       15.33634 
1 1 1 -11 36 24 o 130.9244 17.31437 556.1961       129.6909 0.000000       0.000000 556.1961       129.6909 ?        ?        130.9244 17.31437 0.000000       17.31437 
1 1 1 -11 36 25 o 63.15207 24.72954 116.9249       133.1368 0.000000       0.000000 116.9249       133.1368 ?        ?        63.15207 24.72954 0.000000       24.72954 
1 1 1 -11 36 26 o 51.15344 22.53820 10.22943       131.5574 0.000000       0.000000 10.22943       131.5574 ?        ?        51.15344 22.53820 0.000000       22.53820 
1 1 1 -11 36 27 o 60.49855 24.72450 94.37897       139.0412 0.000000       0.000000 94.37897       139.0412 ?        ?        60.49855 24.72450 0.000000       24.72450 
1 1 1 -11 36 28 o 86.05631 26.29111 282.6599       144.9170 0.000000       0.000000 282.6599       144.9170 ?        ?        86.05631 26.29111 0.000000       26.29111 
1 1 1 -11 36 29 o 72.94642 26.68181 196.6270       148.8424 0.000000       0.000000 196.6270       148.8424 ?        ?        72.94642 26.68181 0.000000       26.68181 
1 1 1 -11 36 30 o 67.73803 28.81145 130.6285       200.2182 0.000000       0.000000 130.6285       200.2182 ?        ?        67.73803 28.81145 0.000000       28.81145 
1 1 1 -11 36 31 o 80.38300 31.70153 269.3464       220.1396 0.000000       0.000000 269.3464       220.1396 ?        ?        80.38300 31.70153 0.000000       31.70153 
1 1 1 -11 37 1  o 52.90187 21.92757 37.12876       111.4073 -189.6665      302.5302 72.70937       119.8280 65.77501 30.88228 58.71556 23.31516 7.059444       38.69512 
1 1 1 -11 37 2  o 133.0389 15.97003 548.3560       122.1170 272.9774       296.1286 604.7811       134.0453 93.67154 36.82129 139.4494 16.72341 -45.77783      40.44107 
1 1 1 -11 37 3  o 202.7000 26.73486 1367.957       310.0793 1367.957       310.0793 0.000000       0.000000 202.7000 26.73486 ?        ?        0.000000       26.73486 
1 1 1 -11 37 4  f 207.2852 16.94562 1330.783       204.2080 1105.485       310.4284 1502.651       271.1315 178.5231 30.75958 216.8529 21.60608 -38.32985      37.58955 
1 1 1 -11 37 5  o 281.6556 13.41923 2405.750       221.0272 2745.199       345.5061 2170.601       287.5682 295.0064 20.08967 263.4134 18.73687 31.59308       27.47117 
1 1 1 -11 37 6  o 198.9937 24.41512 1298.901       278.9731 0.000000       0.000000 1298.901       278.9731 ?        ?        198.9937 24.41512 0.000000       24.41512 
1 1 1 -11 37 7  o 221.2722 10.56339 1468.433       136.6863 2349.638       345.4547 1304.869       148.8321 270.6209 21.95442 207.7458 12.27022 62.87509       25.15064 
1 1 1 -11 37 8  o 108.6055 17.84995 374.3807       109.7480 1303.876       323.7794 253.7253       116.6538 194.5787 29.27942 87.29176 22.60815 107.2869       36.99207 
1 1 1 -11 37 9  o 156.2979 13.05984 744.5988       118.6197 577.1767       342.1010 767.4784       126.4654 119.5149 40.73825 158.3742 13.75178 -38.85931      42.99670 
1 1 1 -11 37 10 o 129.2611 25.27846 564.8798       184.7637 718.9736       381.9198 517.7963       211.1122 130.1896 43.03075 120.4415 30.00019 9.748085       52.45624 
1 1 1 -11 37 11 o 103.4593 18.78474 344.6506       109.7824 -278.5644      433.0456 387.4547       113.4899 73.90371 35.34373 110.1136 18.20973 -36.20990      39.75895 
1 1 1 -11 37 12 o 171.7710 12.60028 898.2285       126.0515 152.4979       437.1566 965.8527       131.6428 90.56673 40.42678 178.1053 12.68593 -87.53855      42.37048 
1 1 1 -11 37 13 o 48.67370 20.91785 11.29251       107.5300 392.5468       427.7437 -14.42672      111.0977 102.7051 42.80122 46.70405 20.63894 56.00109       47.51748 
1 1 1 -11 37 14 o 138.6283 15.14776 598.1345       121.1527 445.5625       450.0893 610.0526       125.7956 105.3815 43.90986 139.7702 15.61252 -34.38876      46.60286 
1 1 1 -11 37 15 o 121.3682 16.66049 466.4804       115.4624 387.0227       434.1224 472.5290       119.7765 100.8114 42.63205 121.8557 17.24105 -21.04433      45.98636 
1 1 1 -11 37 16 o 96.97140 19.53195 309.5506       107.2358 350.7389       404.7276 306.4408       111.2105 97.24398 41.14533 96.03631 20.37685 1.207672       45.91464 
1 1 1 -11 37 17 o 73.23771 23.42449 181.6267       113.6790 113.4977       424.1201 186.9001       117.9966 84.76224 38.63423 74.15369 23.87973 10.60855       45.41856 
1 1 1 -11 37 18 o 47.16590 20.79663 -6.406777      112.2057 0.000000       0.000000 -6.406777      112.2057 ?        ?        47.16590 20.79663 0.000000       20.79663 
1 1 1 -11 37 19 o 71.55232 23.72087 173.5419       116.0329 810.4696       465.8628 131.4158       119.8087 122.6792 46.72869 65.09061 23.91713 57.58860       52.49380 
1 1 1 -11 37 20 o 52.18488 22.19660 32.97491       118.8400 0.000000       0.000000 32.97491       118.8400 ?        ?        52.18488 22.19660 0.000000       22.19660 
1 1 1 -11 37 21 o 71.27682 23.70127 174.3925       115.8196 567.4075       483.6831 150.4871       119.2901 104.3273 44.58971 67.53746 23.99158 36.78983       50.63436 
1 1 1 -11 37 22 o 165.3999 14.37872 858.9305       138.0935 0.000000       0.000000 858.9305       138.0935 ?        ?        165.3999 14.37872 0.000000       14.37872 
1 1 1 -11 37 23 o 57.43953 23.53199 75.30161       126.3377 0.000000       0.000000 75.30161       126.3377 ?        ?        57.43953 23.53199 0.000000       23.53199 
1 1 1 -11 37 24 o 55.21967 23.41991 51.31371       131.6501 0.000000       0.000000 51.31371       131.6501 ?        ?        55.21967 23.41991 0.000000       23.41991 
1 1 1 -11 37 25 o 67.84558 25.65117 153.8693       139.7507 0.000000       0.000000 153.8693       139.7507 ?        ?        67.84558 25.65117 0.000000       25.65117 
1 1 1 -11 37 26 o 75.38118 26.75551 210.1976       148.3309 0.000000       0.000000 210.1976       148.3309 ?        ?        75.38118 26.75551 0.000000       26.75551 
1 1 1 -11 37 27 o 67.79801 25.93252 156.7032       143.8631 0.000000       0.000000 156.7032       143.8631 ?        ?        67.79801 25.93252 0.000000       25.93252 
1 1 1 -11 37 28 o 109.3473 23.75415 436.2927       147.9675 0.000000       0.000000 436.2927       147.9675 ?        ?        109.3473 23.75415 0.000000       23.75415 
1 1 1 -11 37 29 o 78.56858 30.16643 246.5607       195.1713 0.000000       0.000000 246.5607       195.1713 ?        ?        78.56858 30.16643 0.000000       30.16643 
1 1 1 -11 38 1  o 155.8553 14.71330 748.2861       132.8959 738.5908       316.5024 750.3613       146.4296 137.4448 37.99511 155.2262 16.32897 -17.78139      41.35534 
1 1 1 -11 38 2  o 183.1514 14.57237 1030.495       155.2379 533.7170       293.5741 1223.317       182.9007 116.8885 37.66860 198.8586 15.81281 -81.97018      40.85301 
1 1 1 -11 38 3  o 105.8258 20.03283 363.6615       119.7808 473.9556       284.3843 339.8751       132.0668 110.8059 37.14537 100.8611 22.85687 9.944878       43.61439 
1 1 1 -11 38 4  o 88.62196 22.02308 261.6710       113.9625 350.3160       286.3521 244.9883       124.2242 98.38251 36.82029 85.18552 23.89906 13.19698       43.89646 
1 1 1 -11 38 5  o 167.8116 21.50931 913.3165       206.8282 619.6789       283.2019 1248.949       302.7766 126.6465 36.27407 190.8230 27.87731 -64.17659      45.74880 
1 1 1 -11 38 6  o 62.68468 22.50343 115.8528       105.2286 628.2808       287.2386 36.41961       113.0909 127.0844 36.57326 52.66968 21.98316 74.41470       42.67157 
1 1 1 -11 38 7  o 51.81570 21.34311 41.60727       104.6545 144.9921       301.1342 27.40509       111.6115 82.23403 35.16597 51.32685 21.65648 30.90718       41.29950 
1 1 1 -11 38 8  o 51.45728 21.34983 37.49837       105.7595 -189.5933      314.2788 66.49883       112.3096 65.72982 31.04976 56.21798 22.48947 9.511841       38.33881 
1 1 1 -11 38 9  o 43.29150 19.36508 -26.98893      100.8708 61.41690       327.4253 -36.25926      106.0277 78.68330 35.06349 43.55266 19.63687 35.13064       40.18775 
1 1 1 -11 38 10 o 87.22266 21.73944 255.0959       110.8062 228.3554       354.0864 257.9988       116.6658 89.81672 38.26245 87.37792 22.59858 2.438797       44.43771 
1 1 1 -11 38 11 o 140.5390 25.09564 674.1690       199.2549 234.8859       400.9957 818.1935       229.6073 91.65331 39.88912 154.0312 26.36449 -62.37785      47.81452 
1 1 1 -11 38 12 o 128.4973 16.52114 521.9516       121.6268 -220.3210      422.1470 589.1455       127.0126 73.31672 35.01745 136.8330 16.13728 -63.51627      38.55689 
1 1 1 -11 38 13 o 94.30047 21.23081 298.6399       114.5795 -26.96530      430.2461 323.4952       118.8723 80.12195 37.36023 98.22798 21.25300 -18.10603      42.98228 
1 1 1 -11 38 14 o 106.6760 19.86498 375.8614       119.7092 -33.20049      432.6406 409.7755       124.5728 79.36739 37.15720 111.5509 19.76486 -32.18347      42.08690 
1 1 1 -11 38 15 f 116.4948 18.25036 440.4351       120.5978 643.1335       462.3835 425.6399       124.9215 112.7599 45.45058 113.7905 19.41502 -1.030571      49.42366 
1 1 1 -11 38 16 o 44.85160 20.02106 -19.67367      107.2249 -130.6529      455.8055 -13.17240      110.3209 76.60064 36.53080 46.09343 20.45770 30.50721       41.86904 
1 1 1 -11 38 17 o 228.8151 10.76956 1588.213       144.1161 1642.193       465.3360 1582.486       151.5683 192.1888 42.42182 227.9661 11.37264 -35.77724      43.91978 
1 1 1 -11 38 18 o 93.80203 22.53268 305.5118       122.4020 1391.682       436.3539 212.7456       127.5219 173.7492 43.04525 77.64777 24.80709 96.10144       49.68184 
1 1 1 -11 38 19 o 92.76702 22.14263 298.6943       118.7920 1291.842       454.9359 226.0240       123.0614 159.5456 46.06195 79.76057 24.19955 79.78502       52.03192 
1 1 1 -11 38 20 o 156.6602 15.01740 775.9766       136.2885 647.2704       464.8966 788.0779       142.5517 107.4632 44.68950 157.4052 15.64902 -49.94205      47.35022 
1 1 1 -11 38 21 o 86.65323 24.42478 272.4079       129.4332 92.97754       478.7557 286.5568       134.4395 81.69357 38.50912 88.60233 24.86395 -6.908760      45.83850 
1 1 1 -11 38 22 o 138.0641 17.84092 625.7575       141.0863 0.000000       0.000000 625.7575       141.0863 ?        ?        138.0641 17.84092 0.000000       17.84092 
1 1 1 -11 38 23 o 47.99545 21.64403 -20.16460      128.8793 260.2702       465.5293 -43.44200      134.1215 85.78166 39.60398 47.03898 21.54823 38.74268       45.08660 
1 1 1 -11 38 24 o 126.6722 19.67284 542.5260       141.4105 0.000000       0.000000 542.5260       141.4105 ?        ?        126.6722 19.67284 0.000000       19.67284 
1 1 1 -11 38 25 o 68.90491 25.86976 165.2893       141.5893 0.000000       0.000000 165.2893       141.5893 ?        ?        68.90491 25.86976 0.000000       25.86976 
1 1 1 -11 38 26 o 96.75298 26.21053 359.4341       152.3826 0.000000       0.000000 359.4341       152.3826 ?        ?        96.75298 26.21053 0.000000       26.21053 
1 1 1 -11 38 27 o 60.05318 25.35321 84.44179       153.1126 0.000000       0.000000 84.44179       153.1126 ?        ?        60.05318 25.35321 0.000000       25.35321 
1 1 1 -11 38 28 o 62.75632 25.54966 117.3208       147.7923 0.000000       0.000000 117.3208       147.7923 ?        ?        62.75632 25.54966 0.000000       25.54966 
1 1 1 -11 39 1  o 118.3437 18.78083 450.6351       126.0010 552.1505       338.7878 434.3391       135.7381 114.8684 40.46618 114.9784 20.89918 -0.1100311     45.54434 
1 1 1 -11 39 2  o 258.2478 22.46634 2184.423       336.8838 0.000000       0.000000 2184.423       336.8838 ?        ?        258.2478 22.46634 0.000000       22.46634 
1 1 1 -11 39 3  o 90.49054 24.42558 281.5443       132.6212 -153.3672      294.3376 392.3307       148.5554 64.72662 30.41249 107.1913 24.20526 -42.46470      38.86920 
1 1 1 -11 39 4  o 95.34153 21.39821 303.3371       116.7048 203.3067       279.4455 324.4697       128.4422 84.21784 34.80125 97.96405 22.78705 -13.74621      41.59780 
1 1 1 -11 39 5  o 106.0819 19.87565 368.3778       119.1128 529.9964       284.2578 333.9557       131.1855 114.6611 37.07611 99.24408 22.99048 15.41706       43.62569 
1 1 1 -11 39 6  o 117.9113 17.53289 443.9104       117.5598 1060.891       295.3546 327.7628       128.1484 171.5175 30.47866 98.39272 22.67340 73.12477       37.98726 
1 1 1 -11 39 7  o 101.7811 19.99455 341.0551       115.0922 710.5216       289.2743 271.5705       125.4488 133.7449 36.06226 88.90306 23.64968 44.84189       43.12533 
1 1 1 -11 39 8  o 62.70913 23.25636 114.7721       113.7328 435.3083       316.5944 67.27684       121.8680 103.1671 38.69415 57.21895 23.23583 45.94818       45.13470 
1 1 1 -11 39 9  o 159.0207 22.25698 842.2705       201.8961 1174.476       362.3699 692.7248       243.1286 171.5483 37.09909 136.4137 31.08488 35.13458       48.40054 
1 1 1 -11 39 10 o 89.96477 22.79873 278.2064       120.4219 -131.8954      363.0205 328.9136       127.6498 70.82597 33.43097 98.05938 22.65230 -27.23341      40.38263 
1 1 1 -11 39 11 o 161.9719 22.91634 884.7445       211.6157 594.1550       383.2439 1012.204       253.8175 112.6038 42.49954 170.0723 26.29443 -57.46851      49.97607 
1 1 1 -11 39 12 o 164.3348 13.73793 836.7011       131.1937 170.3731       416.6858 910.0232       138.2236 86.25641 38.90632 171.3339 13.87448 -85.07750      41.30621 
1 1 1 -11 39 13 o 146.9193 14.67200 675.4332       124.7319 832.0203       437.2830 661.5643       130.1385 126.7397 45.82505 144.8313 15.56519 -18.09160      48.39639 
1 1 1 -11 39 14 o 121.7039 18.28563 482.2346       126.4848 418.4190       450.1374 487.7051       131.7948 98.30605 42.52602 121.9018 19.05843 -23.59576      46.60135 
1 1 1 -11 39 15 o 126.3581 16.86147 513.0532       121.8376 356.7766       464.8356 524.5815       126.2516 94.57268 41.98265 127.4819 17.33513 -32.90923      45.42081 
1 1 1 -11 39 16 o 130.1619 15.90731 539.9356       118.9112 1099.643       462.0862 500.2422       123.0555 142.3507 47.34167 124.3198 17.34948 18.03090       50.42061 
1 1 1 -11 39 17 o 90.59447 23.64049 291.9543       126.9137 377.7538       462.2922 284.9607       131.9848 93.81181 41.74318 88.95735 24.51435 4.854454       48.40916 
1 1 1 -11 39 18 o 130.4584 26.91638 625.5189       199.1036 1375.703       467.1235 458.9721       220.0980 161.6237 46.67879 105.6830 32.42256 55.94065       56.83425 
1 1 1 -11 39 19 o 81.12244 25.54837 241.6022       135.6760 1203.174       466.4528 152.7305       141.8073 145.3617 47.53015 68.24463 25.83082 77.11708       54.09571 
1 1 1 -11 39 20 o 39.03723 18.83240 -156.0901      129.2024 370.7595       454.5602 -202.3954      134.7607 90.76855 40.81520 37.82827 18.47327 52.94028       44.80114 
1 1 1 -11 39 21 o 89.65205 25.02724 297.8202       136.5907 1264.542       441.8022 195.6511       143.6273 152.1702 45.78423 73.59993 26.30601 78.57025       52.80342 
1 1 1 -11 39 22 o 85.21281 25.41092 271.8961       136.5514 819.4949       426.6198 209.3911       144.1342 116.5646 44.63927 75.33648 26.40598 41.22813       51.86463 
1 1 1 -11 39 23 o 59.80620 24.41881 94.37277       135.4693 41.33745       415.5605 100.6790       143.2973 74.89586 35.47608 61.21132 25.06771 13.68454       43.43895 
1 1 1 -11 39 24 o 80.94300 26.60393 252.8103       146.0562 -340.5999      411.2990 338.4391       156.2392 63.27043 31.17391 93.07467 27.03020 -29.80424      41.26069 
1 1 1 -11 39 25 o 62.68826 25.44958 115.0169       146.1471 22.67400       421.8544 127.6116       155.7952 73.67181 35.13680 64.72681 26.27655 8.945000       43.87541 
1 1 1 -11 39 26 o 51.36121 23.41189 -20.57523      155.7819 0.000000       0.000000 -20.57523      155.7819 ?        ?        51.36121 23.41189 0.000000       23.41189 
1 1 1 -11 40 1  o 125.5211 39.71714 686.2477       327.5384 686.2477       327.5384 0.000000       0.000000 125.5211 39.71714 ?        ?        0.000000       39.71714 
1 1 1 -11 40 2  o 131.2836 19.76556 564.0775       147.4686 415.7170       317.7998 604.7892       166.4770 100.4320 38.51097 134.5382 21.84762 -34.10615      44.27656 
1 1 1 -11 40 3  o 208.1581 12.35773 1324.482       150.1840 1716.994       347.0181 1234.020       166.5939 220.9270 27.36732 199.5088 14.33344 21.41815       30.89365 
1 1 1 -11 40 4  f 225.0939 18.97664 1632.402       248.1839 1534.785       333.9255 1752.871       370.9583 207.7241 28.13266 220.3270 29.44473 -12.60287      40.72393 
1 1 1 -11 40 5  o 217.8210 13.32821 1460.492       169.4485 1666.891       308.8880 1371.640       202.6652 221.3789 24.18400 208.2649 16.73324 13.11398       29.40863 
1 1 1 -11 40 6  o 161.7119 37.79012 1076.635       351.9211 0.000000       0.000000 1076.635       351.9211 ?        ?        161.7119 37.79012 0.000000       37.79012 
1 1 1 -11 40 7  o 62.18664 24.65089 99.72939       133.7327 -117.3641      293.3750 156.6720       150.2513 64.78558 30.41573 70.64928 26.62256 -5.863708      40.42125 
1 1 1 -11 40 8  o 63.47824 24.02768 118.0473       122.7032 779.9162       303.9299 -10.83908      134.1192 136.8394 36.99370 50.65116 22.51423 86.18828       43.30618 
1 1 1 -11 40 9  o 67.20651 24.03775 145.4132       119.9481 -289.9677      318.2289 217.5116       129.4994 60.51691 29.28262 78.75665 24.98019 -18.23975      38.49002 
1 1 1 -11 40 10 o 110.0444 21.15277 408.4702       131.5584 -250.5339      353.2526 514.5906       141.7558 64.91161 31.27078 124.5705 20.08627 -59.65893      37.16611 
1 1 1 -11 40 11 o 50.97152 24.37532 -184.0818      205.9127 -526.3909      375.8794 -37.30658      246.1307 59.14377 29.26271 63.31167 29.07236 -4.167900      41.24934 
1 1 1 -11 40 12 o 161.9502 14.57970 822.0698       136.9970 803.0500       383.2823 824.8557       146.6872 127.1492 43.12387 161.4179 15.69278 -34.26864      45.89043 
1 1 1 -11 40 13 o 97.15372 22.28390 327.4603       124.2631 303.1792       367.8780 330.5875       132.0229 89.46352 38.57146 96.82258 23.49214 -7.359062      45.16235 
1 1 1 -11 40 14 o 64.23680 23.63084 131.0677       117.0130 589.1217       406.5347 89.69180       122.1836 106.5745 42.73541 58.97300 23.50204 47.60147       48.77152 
1 1 1 -11 40 15 o 79.09395 23.85837 223.5627       119.8602 -583.0060      424.5730 293.4111       124.9423 60.99032 30.33428 90.81409 23.33472 -29.82377      38.27111 
1 1 1 -11 40 16 o 121.6760 18.57057 489.8659       128.3279 -147.9796      443.4837 548.1539       134.0632 72.56423 34.97757 129.0766 18.21550 -56.51235      39.43646 
1 1 1 -11 40 17 o 67.96936 24.51934 157.1054       125.1028 -47.66574      457.5774 173.6484       130.0580 75.66212 36.22408 70.54066 25.05176 5.121460       44.04287 
1 1 1 -11 40 18 o 90.48032 25.27927 303.8851       139.2940 184.9896       451.5862 316.3868       146.4343 82.80978 38.49957 91.79411 26.01579 -8.984322      46.46545 
1 1 1 -11 40 19 o 62.45365 24.95841 111.9263       138.1785 543.3103       402.9802 54.44859       147.0962 99.83352 41.56932 57.22291 24.52644 42.61061       48.26546 
1 1 1 -11 40 20 o 103.8700 24.07265 392.7965       143.7743 365.2730       366.1507 397.8139       156.3304 88.99188 38.42508 102.8888 25.92295 -13.89689      46.35176 
1 1 1 -11 40 21 o 77.54460 26.33093 227.4770       142.8984 902.3109       329.4768 71.12507       158.5908 136.2583 39.15666 59.61800 25.50794 76.64030       46.73221 
1 1 1 -11 40 22 o 70.76606 27.62034 176.5330       165.6348 0.000000       0.000000 176.5330       165.6348 ?        ?        70.76606 27.62034 0.000000       27.62034 
1 1 1 -11 40 23 o 103.9776 27.84615 427.1790       173.1940 0.000000       0.000000 427.1790       173.1940 ?        ?        103.9776 27.84615 0.000000       27.84615 
1 1 1 -11 40 24 o 51.86077 23.34258 -1.932742      149.0865 74.40681       297.9453 -27.43114      172.1941 69.53929 31.95204 53.06005 24.34710 16.47924       40.17106 
1 1 1 -11 41 1  f 79.63191 35.26920 137.0771       326.2027 137.0771       326.2027 0.000000       0.000000 79.63191 35.26920 ?        ?        0.000000       35.26920 
1 1 1 -11 41 2  o 114.5984 20.74387 440.0490       134.2867 616.7112       327.4667 404.3350       147.2360 116.3085 39.85205 107.5471 23.95750 8.761482       46.49890 
1 1 1 -11 41 3  o 105.3635 22.41158 381.2251       134.2261 396.3189       353.6376 378.6847       145.0829 96.74682 39.47158 103.7157 24.28251 -6.968857      46.34270 
1 1 1 -11 41 4  o 222.4998 12.23571 1517.257       159.0502 1473.425       344.9197 1529.094       179.2446 198.7892 30.56231 222.0472 13.83287 -23.25800      33.54703 
1 1 1 -11 41 5  o 282.6562 22.53919 2692.724       370.5421 2692.724       370.5421 0.000000       0.000000 282.6562 22.53919 ?        ?        0.000000       22.53919 
1 1 1 -11 41 6  o 91.21935 27.14084 306.6045       155.9141 106.4932       326.2698 365.8251       177.4914 77.44015 34.71992 98.37566 28.87801 -20.93552      45.15985 
1 1 1 -11 41 7  o 148.5340 16.32337 703.4415       139.8550 868.9684       313.1654 662.2050       156.3077 143.3056 37.00570 141.9106 19.27894 1.395004       41.72648 
1 1 1 -11 41 8  f 79.83197 26.61263 229.9495       146.0021 0.000000       0.000000 229.9495       146.0021 ?        ?        79.83197 26.61263 0.000000       26.61263 
1 1 1 -11 41 9  o 94.09806 23.59740 313.6943       129.9757 210.8138       303.9001 336.7262       143.7904 81.76460 35.15260 96.48382 25.15637 -14.71922      43.22670 
1 1 1 -11 41 10 f 112.2046 20.34416 424.5963       128.9471 199.9619       313.9867 470.1680       141.4233 81.16726 35.31164 117.4820 21.31030 -36.31477      41.24368 
1 1 1 -11 41 11 o 119.1971 19.30305 473.1476       130.3296 -179.8419      325.0915 598.1951       142.2624 63.65072 30.48936 134.8990 18.46588 -71.24824      35.64534 
1 1 1 -11 41 12 o 53.25729 22.85788 34.62667       128.0869 -498.8101      331.6636 128.1332       138.8601 54.76764 27.16619 65.06713 25.31991 -10.29949      37.13623 
1 1 1 -11 41 13 o 66.59748 24.64146 145.9189       127.5508 91.45932       344.1328 154.5919       137.3323 75.67685 34.61032 68.25150 25.50805 7.425346       42.99460 
1 1 1 -11 41 14 o 63.06181 23.78574 125.1459       120.0000 457.9329       390.5803 90.45878       126.0990 95.95998 40.50180 59.00245 23.75183 36.95754       46.95258 
1 1 1 -11 41 15 o 163.6543 15.15481 852.8407       143.8029 787.8101       458.8216 859.9246       151.4328 113.0225 45.37318 163.6241 15.98416 -50.60162      48.10633 
1 1 1 -11 41 16 o 115.5159 21.70758 464.0254       141.6652 -16.69048      459.3585 514.5515       148.9242 75.98616 36.35641 121.8373 21.63421 -45.85116      42.30635 
1 1 1 -11 41 17 o 75.89901 25.55190 212.2751       134.5585 366.4588       414.4424 194.1070       142.2656 89.30254 39.64249 73.18370 26.17830 16.11884       47.50611 
1 1 1 -11 41 18 f 180.1702 14.54208 1030.994       152.3552 814.7836       376.3599 1073.370       166.6177 120.7044 42.63977 182.7130 15.70106 -62.00865      45.43867 
1 1 1 -11 41 19 o 82.57307 26.71157 263.6408       147.5349 503.1807       353.1158 212.9826       162.3877 96.95914 39.48594 75.17087 27.80545 21.78827       48.29371 
1 1 1 -11 41 20 o 49.08631 22.98162 -79.70879      165.5328 0.000000       0.000000 -79.70879      165.5328 ?        ?        49.08631 22.98162 0.000000       22.98162 
1 1 1 -11 41 21 o 63.54612 25.93345 118.5701       152.7074 109.8300       284.6379 122.1025       180.9540 71.04161 32.08939 65.81293 27.66070 5.228676       42.36559 
1 1 1 -11 41 22 o 87.88021 27.39916 307.8176       156.4437 154.7118       266.4268 388.3878       193.2721 72.41140 31.98195 95.52820 30.54208 -23.11680      44.22289 
1 1 1 -11 42 1  o 120.8495 20.81808 493.7658       142.2245 -392.5538      321.8050 708.9122       158.5494 56.85878 27.92774 146.8451 18.84381 -89.98633      33.69048 
1 1 1 -11 42 2  o 112.6349 22.50368 439.6997       143.4502 -290.5707      352.9872 584.1640       156.9992 62.64373 30.43543 131.3922 21.08721 -68.74847      37.02683 
1 1 1 -11 42 3  o 140.1321 18.77560 646.2926       150.4264 102.9744       368.3178 755.0625       164.7973 78.32898 35.81668 151.4184 18.97293 -73.08945      40.53155 
1 1 1 -11 42 4  o 109.9559 23.35329 425.1310       145.9418 477.5465       341.2825 413.4010       161.4480 100.5004 39.52192 106.1477 26.11585 -5.647316      47.37108 
1 1 1 -11 42 5  o 105.8487 24.52634 401.9402       149.2691 299.7957       341.7101 426.0279       165.9386 87.77384 37.49570 107.3983 26.50813 -19.62446      45.91958 
1 1 1 -11 42 6  o 97.13280 25.73315 346.8246       148.9108 -281.0231      337.8470 498.2081       165.8946 61.33731 29.79492 117.9400 24.77325 -56.60273      38.74856 
1 1 1 -11 42 7  o 62.88116 25.17418 108.8305       140.8341 669.7825       319.4392 -26.51124      156.9066 118.5399 39.36009 52.24157 23.68864 66.29839       45.93875 
1 1 1 -11 42 8  o 114.9521 22.73799 462.3033       147.8604 719.2898       335.9076 400.5429       164.6719 121.0144 40.36680 103.3308 26.91095 17.68356       48.51472 
1 1 1 -11 42 9  o 128.3947 19.20642 550.0494       140.1886 548.7442       342.8786 550.3113       153.6148 104.5501 40.02384 126.6135 21.45238 -22.06344      45.41048 
1 1 1 -11 42 10 o 120.0251 20.17948 488.3328       137.0121 949.7581       358.4466 409.3802       148.2713 139.3853 41.07118 106.4710 24.28463 32.91433       47.71358 
1 1 1 -11 42 11 o 47.86687 21.64861 -24.83717      130.0284 51.47855       333.0103 -38.56544      141.2403 72.61567 33.51498 48.64909 22.22031 23.96658       40.21189 
1 1 1 -11 42 12 o 53.38403 23.04321 34.47231       131.5999 -27.16341      353.9452 44.35979       141.7629 70.37333 33.15393 55.68929 23.97634 14.68404       40.91513 
1 1 1 -11 42 13 o 90.70187 25.28387 306.4727       139.5144 137.9666       415.4124 327.8951       148.1175 79.51499 36.95335 93.25150 26.07278 -13.73650      45.22543 
1 1 1 -11 42 14 o 101.0473 24.22569 373.0718       141.7027 12.83043       428.5083 417.3028       150.1501 75.08657 35.69876 106.8369 24.48844 -31.75032      43.29071 
1 1 1 -11 42 15 o 87.85744 25.72333 292.5895       140.9884 -322.3476      404.2245 377.7594       150.4355 63.71532 31.29651 100.3351 25.51197 -36.61982      40.37738 
1 1 1 -11 42 16 o 144.6597 20.45652 717.5064       168.7150 385.6729       366.6308 806.6547       190.0314 89.07536 38.45564 151.8670 21.97383 -62.79163      44.29092 
1 1 1 -11 42 17 o 82.59978 30.23850 278.3849       191.2307 665.2532       360.2025 126.5502       225.6580 108.5788 41.15207 69.11615 30.00339 39.46265       50.92834 
1 1 1 -11 42 18 o 78.85897 28.59213 244.6619       170.3878 649.1913       334.9971 103.4892       197.8979 109.3692 40.02488 65.43743 28.25190 43.93179       48.99144 
1 1 1 -11 42 19 o 139.0471 18.76851 651.6809       149.1485 860.3033       325.3155 596.1581       167.8262 130.8545 39.26866 128.8839 23.04910 1.970520       45.53338 
1 1 1 -11 42 20 o 42.32569 20.34337 -146.2382      147.5141 68.39758       309.6385 -209.2555      167.7775 69.55167 32.17737 42.67220 20.78882 26.87948       38.30872 
1 1 1 -11 43 1  o 78.32878 25.70319 225.0986       136.3557 308.8260       313.1359 205.5075       151.4707 86.88511 36.44379 75.33821 27.00456 11.54690       45.35853 
1 1 1 -11 43 2  o 116.5826 22.65323 476.3030       149.3047 552.5239       342.5748 458.4300       165.8888 104.6305 40.01816 111.5171 25.86681 -6.886574      47.65024 
1 1 1 -11 43 3  o 77.80826 26.13607 222.7554       140.7856 705.6212       313.4554 100.7329       157.5733 121.5707 38.89861 63.14627 26.11709 58.42438       46.85300 
1 1 1 -11 43 4  o 107.5943 24.70850 420.5858       152.6212 5.484434       332.0436 531.7758       171.8506 70.64056 32.89953 121.1327 25.01882 -50.49216      41.33183 
1 1 1 -11 43 5  o 100.9472 25.04555 374.1032       147.5645 1008.890       348.2259 235.1624       162.9154 147.0641 39.52880 79.11575 28.04405 67.94830       48.46643 
1 1 1 -11 43 6  o 99.49326 25.54505 367.1588       149.8126 0.5777597      334.4205 459.1958       167.5671 70.40051 32.86388 111.1352 26.14844 -40.73473      41.99733 
1 1 1 -11 43 7  o 112.4577 24.15582 455.8124       154.5621 718.1049       363.2612 397.8308       170.7934 116.0313 41.79142 101.5158 27.85150 14.51544       50.22179 
1 1 1 -11 43 8  o 110.5753 23.41587 436.7756       147.1174 902.7876       379.0823 354.1427       159.6288 130.2637 42.86233 96.15004 27.13260 34.11366       50.72827 
1 1 1 -11 43 9  o 113.0959 22.59940 451.8165       144.6510 1028.215       364.4636 344.0466       157.5947 144.3882 41.08413 94.66130 27.04233 49.72688       49.18530 
1 1 1 -11 43 10 o 63.64427 25.04220 124.0591       137.0866 262.4752       356.8784 100.1001       148.4778 83.09540 36.84221 61.79047 25.43379 21.30493       44.76859 
1 1 1 -11 43 11 o 75.42875 26.08097 211.6286       140.3573 -518.4548      376.2614 329.6436       151.2767 57.15292 28.44717 92.70908 26.49798 -35.55616      38.87653 
1 1 1 -11 43 12 o 152.0542 16.95742 756.9914       148.6492 397.2950       355.9979 832.9491       163.5933 90.11759 38.37727 158.6503 17.89406 -68.53266      42.34398 
1 1 1 -11 43 13 o 83.32541 25.60133 263.9316       137.1659 -95.81232      345.0530 331.4488       149.4845 66.04251 31.57470 92.86510 26.27380 -26.82259      41.07645 
1 1 1 -11 43 14 o 91.06589 26.87286 323.3951       153.3601 1083.892       377.4336 173.0095       167.8398 144.0253 42.06530 70.43222 27.71030 73.59305       50.37212 
1 1 1 -11 43 15 o 67.54646 26.63974 152.4198       155.4562 -15.01961      375.6981 187.0099       170.7602 70.43069 33.46843 72.01545 28.06263 -1.584755      43.67662 
1 1 1 -11 43 16 o 111.8074 26.85412 482.3736       173.8729 -298.7436      354.4014 729.9874       199.5376 60.04926 29.45689 140.5610 25.12761 -80.51176      38.71828 
1 1 1 -11 43 17 o 65.74304 27.67343 125.0635       181.5556 295.8242       358.8815 66.32939       210.4758 82.46840 36.73230 63.17313 28.13461 19.29527       46.26898 
1 1 1 -11 44 1  o 64.78434 25.59937 129.6319       143.7996 -81.78014      300.5676 192.3865       163.7571 63.93832 30.25175 73.16301 27.74303 -9.224689      41.04685 
1 1 1 -11 44 2  o 126.4782 22.15203 560.2612       158.3314 1105.258       360.3936 429.9129       176.2515 152.2220 39.89384 104.9366 28.08548 47.28539       48.78845 
1 1 1 -11 44 3  o 93.27465 26.54893 333.0990       152.1703 61.29408       338.8975 401.7376       170.3036 72.46680 33.57396 101.5279 27.79417 -29.06106      43.58586 
1 1 1 -11 44 4  o 95.55576 26.63915 350.2175       154.8650 418.8379       368.8885 335.5360       170.6296 91.84593 39.08798 91.77556 28.61457 0.7037354E-01  48.44238 
1 1 1 -11 44 5  o 113.5701 25.30438 478.1014       164.2275 488.5259       373.4555 475.6022       182.8570 95.93559 39.98755 110.2924 28.17177 -14.35682      48.91475 
1 1 1 -11 44 6  o 164.0384 18.90749 900.7570       178.5748 759.4617       413.8389 933.0856       197.9525 111.7431 43.64561 164.7420 20.96240 -52.99889      48.41861 
1 1 1 -11 44 7  o 69.88951 27.37288 167.6549       163.1451 833.0015       420.9760 50.06817       176.9753 116.1917 44.38096 59.66323 26.21941 56.52846       51.54733 
1 1 1 -11 44 8  o 62.45846 26.08250 100.6297       159.3248 383.2168       422.2092 53.70741       172.0446 88.68559 39.64841 59.41027 25.98691 29.27532       47.40586 
1 1 1 -11 44 9  o 76.19180 27.81156 221.1238       161.5897 393.2651       437.8265 193.9780       173.8645 88.86736 40.00036 73.03739 28.35708 15.82996       49.03217 
1 1 1 -11 44 10 o 151.8660 19.17228 777.8568       166.9612 407.3116       423.2487 846.1438       181.6956 89.43064 39.85833 157.4279 20.14007 -67.99729      44.65768 
1 1 1 -11 44 11 o 98.29836 26.61592 373.6280       157.1793 -71.44778      357.8442 480.0243       174.9606 67.49725 32.23861 111.5720 27.02702 -44.07477      42.06884 
1 1 1 -11 44 12 o 82.74186 27.43145 269.8379       155.1730 -33.21342      339.6126 349.7988       174.4474 67.59657 32.03397 92.60902 28.94184 -25.01245      43.17181 
1 1 1 -11 44 13 o 70.50952 26.91015 180.1843       154.6919 145.5248       325.0851 190.3296       175.8810 74.28468 33.84529 72.14113 28.37130 2.143555       44.16372 
1 1 1 -11 45 1  o 92.68160 27.14001 335.2891       156.9350 22.98650       321.4602 433.0119       179.8197 69.25400 32.29288 104.2968 28.56336 -35.04277      43.11259 
1 1 1 -11 45 2  o 47.30663 22.43307 -116.5267      167.0686 -552.0543      380.5624 -12.55095      185.9449 56.52383 28.20937 56.04121 25.55788 0.4826164      38.06539 
1 1 1 -11 45 3  o 55.09875 24.49920 19.42694       158.9428 66.72392       396.4710 10.36995       173.4948 74.59071 35.12486 56.14687 25.23399 18.44384       43.24939 
1 1 1 -11 45 4  o 51.80321 23.65504 -25.92653      159.9391 -214.1593      416.2305 6.681156       173.2392 66.75034 32.56862 55.81511 25.13895 10.93524       41.14222 
1 1 1 -11 45 5  o 87.22887 28.62558 306.7931       169.1239 187.2318       424.7139 329.3245       184.3722 79.80767 37.18214 89.18529 29.90898 -9.377617      47.71854 
1 1 1 -11 45 6  o 66.76978 27.57769 135.8245       175.3619 -267.8120      434.7744 214.2475       191.6418 66.21667 32.51154 75.27724 29.61200 -9.060570      43.97580 
1 1 1 -11 45 7  o 58.29935 25.91282 36.61485       177.6492 364.1504       468.6314 -18.35160      191.9778 86.60633 39.89522 56.07535 25.72218 30.53098       47.46851 
1 1 1 -11 45 8  o 104.9158 29.35069 451.2757       187.6450 0.000000       0.000000 451.2757       187.6450 ?        ?        104.9158 29.35069 0.000000       29.35069 
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  o 106.6925 18.79264 364.2507       106.6964 364.2507       106.6964 364.2507       106.6964 106.6925 18.79264 106.6925 18.79264 0.000000       0.000000 
1 1 1 -10 0  6  o 194.9277 11.10718 1126.313       126.0272 1126.313       126.0272 1126.313       126.0272 194.9277 11.10718 194.9277 11.10718 0.000000       0.000000 
1 1 1 -10 0  7  o 1369.149 31.38285 55524.20       2516.971 55524.20       2516.971 55524.20       2516.971 1369.149 31.38285 1369.149 31.38285 0.000000       0.000000 
1 1 1 -10 0  8  o 118.4478 14.70030 430.6788       97.88638 430.6788       97.88638 430.6788       97.88638 118.4478 14.70030 118.4478 14.70030 0.000000       0.000000 
1 1 1 -10 0  9  o 327.6153 10.35938 3159.096       198.5926 3159.096       198.5926 3159.096       198.5926 327.6153 10.35938 327.6153 10.35938 0.000000       0.000000 
1 1 1 -10 0  10 o 368.4591 10.80889 3994.114       233.1170 3994.114       233.1170 3994.114       233.1170 368.4591 10.80889 368.4591 10.80889 0.000000       0.000000 
1 1 1 -10 0  11 o 115.3337 14.09153 407.5860       91.51826 407.5860       91.51826 407.5860       91.51826 115.3337 14.09153 115.3337 14.09153 0.000000       0.000000 
1 1 1 -10 0  12 o 428.5996 11.66690 5402.362       292.7720 5402.362       292.7720 5402.362       292.7720 428.5996 11.66690 428.5996 11.66690 0.000000       0.000000 
1 1 1 -10 0  13 f 606.9486 14.99799 10834.27       533.1335 10834.27       533.1335 10834.27       533.1335 606.9486 14.99799 606.9486 14.99799 0.000000       0.000000 
1 1 1 -10 0  14 o 1624.319 37.01319 78022.50       3521.835 78022.50       3521.835 78022.50       3521.835 1624.319 37.01319 1624.319 37.01319 0.000000       0.000000 
1 1 1 -10 0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  16 o 1027.232 23.88730 31089.94       1437.327 31089.94       1437.327 31089.94       1437.327 1027.232 23.88730 1027.232 23.88730 0.000000       0.000000 
1 1 1 -10 0  17 o 188.6692 13.60470 1061.106       148.7012 1061.106       148.7012 1061.106       148.7012 188.6692 13.60470 188.6692 13.60470 0.000000       0.000000 
1 1 1 -10 0  18 o 146.1673 16.26832 650.4193       135.0410 650.4193       135.0410 650.4193       135.0410 146.1673 16.26832 146.1673 16.26832 0.000000       0.000000 
1 1 1 -10 0  19 o 301.3195 10.76651 2674.692       189.7105 2674.692       189.7105 2674.692       189.7105 301.3195 10.76651 301.3195 10.76651 0.000000       0.000000 
1 1 1 -10 0  20 o 386.0886 11.37076 4386.812       256.9645 4386.812       256.9645 4386.812       256.9645 386.0886 11.37076 386.0886 11.37076 0.000000       0.000000 
1 1 1 -10 0  21 o 125.1476 15.27434 480.2906       107.6531 480.2906       107.6531 480.2906       107.6531 125.1476 15.27434 125.1476 15.27434 0.000000       0.000000 
1 1 1 -10 0  22 o 408.9830 11.52104 4923.299       275.8464 4923.299       275.8464 4923.299       275.8464 408.9830 11.52104 408.9830 11.52104 0.000000       0.000000 
1 1 1 -10 0  23 o 294.0618 10.15328 2547.860       174.6299 2547.860       174.6299 2547.860       174.6299 294.0618 10.15328 294.0618 10.15328 0.000000       0.000000 
1 1 1 -10 0  24 o 220.7988 9.899515 1440.130       127.6037 1440.130       127.6037 1440.130       127.6037 220.7988 9.899515 220.7988 9.899515 0.000000       0.000000 
1 1 1 -10 0  25 o 230.1497 9.764080 1563.988       131.2521 1563.988       131.2521 1563.988       131.2521 230.1497 9.764080 230.1497 9.764080 0.000000       0.000000 
1 1 1 -10 0  26 o 138.8459 10.83496 576.7562       86.95902 576.7562       86.95902 576.7562       86.95902 138.8459 10.83496 138.8459 10.83496 0.000000       0.000000 
1 1 1 -10 0  27 o 73.71226 22.30239 198.6788       84.08948 198.6788       84.08948 198.6788       84.08948 73.71226 22.30239 73.71226 22.30239 0.000000       0.000000 
1 1 1 -10 0  28 o 119.1116 13.48890 433.4082       91.11632 433.4082       91.11632 433.4082       91.11632 119.1116 13.48890 119.1116 13.48890 0.000000       0.000000 
1 1 1 -10 0  29 o 235.9998 9.855566 1645.645       135.8670 1645.645       135.8670 1645.645       135.8670 235.9998 9.855566 235.9998 9.855566 0.000000       0.000000 
1 1 1 -10 0  30 o 396.4549 9.401730 4627.336       218.3233 4627.336       218.3233 4627.336       218.3233 396.4549 9.401730 396.4549 9.401730 0.000000       0.000000 
1 1 1 -10 0  31 o 135.7072 12.64519 556.1310       98.51984 556.1310       98.51984 556.1310       98.51984 135.7072 12.64519 135.7072 12.64519 0.000000       0.000000 
1 1 1 -10 0  32 o 210.3755 10.23149 1310.470       125.5527 1310.470       125.5527 1310.470       125.5527 210.3755 10.23149 210.3755 10.23149 0.000000       0.000000 
1 1 1 -10 0  33 o 121.5922 17.34143 462.2782       116.3954 462.2782       116.3954 462.2782       116.3954 121.5922 17.34143 121.5922 17.34143 0.000000       0.000000 
1 1 1 -10 0  34 o 108.2824 19.33702 377.9778       111.1432 377.9778       111.1432 377.9778       111.1432 108.2824 19.33702 108.2824 19.33702 0.000000       0.000000 
1 1 1 -10 0  35 o 122.4841 16.99707 468.2945       115.3898 468.2945       115.3898 468.2945       115.3898 122.4841 16.99707 122.4841 16.99707 0.000000       0.000000 
1 1 1 -10 0  36 o 426.7753 10.51751 5372.510       262.8853 5372.510       262.8853 5372.510       262.8853 426.7753 10.51751 426.7753 10.51751 0.000000       0.000000 
1 1 1 -10 0  37 o 564.9393 12.36715 9431.452       409.3096 9431.452       409.3096 9431.452       409.3096 564.9393 12.36715 564.9393 12.36715 0.000000       0.000000 
1 1 1 -10 0  38 o 499.1803 11.42992 7361.532       334.2233 7361.532       334.2233 7361.532       334.2233 499.1803 11.42992 499.1803 11.42992 0.000000       0.000000 
1 1 1 -10 0  39 o 196.6489 13.28505 1159.573       151.5861 1159.573       151.5861 1159.573       151.5861 196.6489 13.28505 196.6489 13.28505 0.000000       0.000000 
1 1 1 -10 0  40 o 25.72597 18.27387 -153.6265      117.5289 -153.6265      117.5289 -153.6265      117.5289 25.72597 18.27387 25.72597 18.27387 0.000000       0.000000 
1 1 1 -10 0  41 o 293.3306 10.32732 2552.994       177.1625 2552.994       177.1625 2552.994       177.1625 293.3306 10.32732 293.3306 10.32732 0.000000       0.000000 
1 1 1 -10 0  42 o 260.2367 10.68456 2016.503       162.4444 2016.503       162.4444 2016.503       162.4444 260.2367 10.68456 260.2367 10.68456 0.000000       0.000000 
1 1 1 -10 0  43 o 283.2944 9.746357 2384.671       161.4963 2384.671       161.4963 2384.671       161.4963 283.2944 9.746357 283.2944 9.746357 0.000000       0.000000 
1 1 1 -10 0  44 f 29.90992 20.46886 -62.09014      113.6771 -62.09014      113.6771 -62.09014      113.6771 29.90992 20.46886 29.90992 20.46886 0.000000       0.000000 
1 1 1 -10 0  45 o 73.47403 29.34013 235.6712       122.4457 235.6712       122.4457 235.6712       122.4457 73.47403 29.34013 73.47403 29.34013 0.000000       0.000000 
1 1 1 -10 0  46 o 33.66208 22.75749 -44.09518      131.8773 -44.09518      131.8773 -44.09518      131.8773 33.66208 22.75749 33.66208 22.75749 0.000000       0.000000 
1 1 1 -10 0  47 o 52.31737 29.71276 130.6134       141.4207 130.6134       141.4207 130.6134       141.4207 52.31737 29.71276 52.31737 29.71276 0.000000       0.000000 
1 1 1 -10 0  48 f 111.5179 29.38065 472.2981       166.0161 472.2981       166.0161 472.2981       166.0161 111.5179 29.38065 111.5179 29.38065 0.000000       0.000000 
1 1 1 -10 0  49 o 42.50395 27.41931 35.35011       158.6753 35.35011       158.6753 35.35011       158.6753 42.50395 27.41931 42.50395 27.41931 0.000000       0.000000 
1 1 1 -10 0  50 o 141.7312 25.00826 698.8664       188.5547 698.8664       188.5547 698.8664       188.5547 141.7312 25.00826 141.7312 25.00826 0.000000       0.000000 
1 1 1 -10 0  51 o 115.6963 34.63191 556.1909       204.6386 556.1909       204.6386 556.1909       204.6386 115.6963 34.63191 115.6963 34.63191 0.000000       0.000000 
1 1 1 -10 1  1  f 495.1525 9.231551 7202.825       268.0798 7114.589       376.9841 7293.091       381.2970 491.4787 13.09045 497.6126 13.07670 -6.133881      18.50297 
1 1 1 -10 1  2  o 715.8600 14.09717 15092.00       591.8487 15692.24       746.3810 14075.27       971.3959 729.1226 17.45458 688.0818 24.10889 41.04077       29.76409 
1 1 1 -10 1  3  o 265.6740 10.27945 2077.550       159.8634 2077.440       222.0656 2077.668       230.3226 265.1985 14.33099 265.1392 14.87155 0.5929565E-01  20.65285 
1 1 1 -10 1  4  o 274.8177 7.306645 2218.718       117.6597 2222.420       165.4541 2214.931       167.3540 274.8018 10.28429 274.3245 10.42105 0.4772644      14.64121 
1 1 1 -10 1  5  o 337.2517 7.565704 3339.069       149.6422 3271.872       211.1835 3406.833       212.0714 333.4685 10.81257 340.3017 10.63901 -6.833191      15.16906 
1 1 1 -10 1  6  o 276.9931 7.186958 2253.575       116.6534 2254.284       163.8855 2252.846       166.0822 276.8144 10.11187 276.7135 10.25165 0.1008911      14.39952 
1 1 1 -10 1  7  o 478.1910 8.893907 6714.473       249.4276 6700.745       351.6614 6728.370       353.8364 477.2149 12.57590 478.1916 12.62788 -0.9766541     17.82180 
1 1 1 -10 1  8  o 439.6803 8.400142 5674.962       216.6078 5696.953       306.6189 5653.054       306.0414 440.1340 11.88944 438.4312 11.91327 1.702820       16.83107 
1 1 1 -10 1  9  o 467.5414 8.726261 6416.617       239.2758 6399.924       338.0493 6433.377       338.7258 466.5289 12.36614 467.7483 12.35851 -1.219391      17.48297 
1 1 1 -10 1  10 o 271.6830 7.024279 2167.157       111.8279 2043.993       154.9507 2301.042       161.5531 263.6668 10.03879 279.7899 9.860802 -16.12308      14.07170 
1 1 1 -10 1  11 o 229.1605 6.925794 1542.121       92.97393 1617.917       132.3744 1468.329       130.6133 234.5777 9.642585 223.4279 9.993091 11.14984       13.88673 
1 1 1 -10 1  12 o 428.3879 8.258198 5385.081       207.4785 5544.033       298.5405 5236.586       288.5521 434.3555 11.73019 422.1360 11.66643 12.21954       16.54397 
1 1 1 -10 1  13 o 649.6386 11.14989 12390.77       424.8081 12273.80       596.2892 12511.32       605.3520 646.1715 15.73471 652.3851 15.82171 -6.213562      22.31384 
1 1 1 -10 1  14 o 774.0804 12.96531 17600.69       588.5988 17880.72       843.4124 17334.82       821.8164 779.5369 18.44815 767.5723 18.25597 11.96460       25.95409 
1 1 1 -10 1  15 o 1449.297 26.98351 62065.78       2293.541 61565.38       2790.785 63106.97       4025.604 1440.715 33.02919 1449.212 47.42789 -8.497437      57.79561 
1 1 1 -10 1  16 o 352.3329 8.084140 3642.841       167.0465 3417.637       231.3676 3888.065       241.4326 340.9427 11.58784 363.6964 11.33279 -22.75366      16.20833 
1 1 1 -10 1  17 o 1368.686 22.12545 55246.92       1776.015 56146.70       2544.035 54391.52       2480.498 1375.756 31.53053 1354.228 31.23176 21.52734       44.38014 
1 1 1 -10 1  18 o 279.1819 9.021282 2290.298       147.5148 2534.284       249.8432 2159.724       182.7738 293.2285 14.57384 270.9160 11.52983 22.31253       18.58316 
1 1 1 -10 1  19 o 415.0846 9.588304 5058.720       233.4151 5418.667       411.9082 4888.466       283.2891 428.7678 16.41082 407.7326 11.85948 21.03516       20.24753 
1 1 1 -10 1  20 o 129.8249 10.21665 498.0798       77.16241 513.8315       110.1880 482.9221       108.0905 131.3653 14.54563 127.2743 14.75392 4.090958       20.71843 
1 1 1 -10 1  21 o 405.8084 8.149261 4834.819       193.9500 4739.886       271.1781 4934.233       277.5047 401.4007 11.53125 409.5500 11.56506 -8.149323      16.33158 
1 1 1 -10 1  22 o 232.7019 7.320616 1591.228       99.78323 1585.155       142.4776 1597.073       139.7904 231.9998 10.49869 232.8946 10.25970 -0.8948212     14.67937 
1 1 1 -10 1  23 f 260.5284 9.708884 1997.599       148.0862 1892.795       196.4777 2135.437       225.3244 253.1854 13.27838 268.8181 14.34413 -15.63278      19.54659 
1 1 1 -10 1  24 o 452.3058 8.508837 6011.206       225.7111 5789.284       312.3210 6253.827       326.5624 443.2717 12.02491 460.7126 12.09655 -17.44086      17.05652 
1 1 1 -10 1  25 o 215.4825 6.740492 1364.913       85.07848 1404.928       121.4868 1326.401       119.1845 218.3611 9.509241 212.1486 9.604101 6.212479       13.51534 
1 1 1 -10 1  26 o 180.6843 7.158290 960.6331       75.70418 893.5117       106.2381 1029.877       107.9051 173.8965 10.46535 186.8110 9.884103 -12.91446      14.39510 
1 1 1 -10 1  27 o 374.6249 8.942552 4128.925       196.4756 3832.266       333.6737 4286.371       243.0846 359.3148 15.87338 381.2480 10.88288 -21.93323      19.24581 
1 1 1 -10 1  28 o 351.8441 7.424868 3639.263       153.2109 3626.056       217.4506 3652.282       215.9034 350.5932 10.58777 351.8824 10.47357 -1.289276      14.89284 
1 1 1 -10 1  29 o 157.8399 7.512404 734.2456       69.34226 701.1951       170.2413 740.8196       75.92607 152.0289 19.54528 158.4711 8.197266 -6.442123      21.19465 
1 1 1 -10 1  30 o 301.0410 7.450081 2665.153       131.5338 2983.881       281.0797 2575.786       148.8359 316.7538 15.17477 295.6875 8.591819 21.06635       17.43826 
1 1 1 -10 1  31 o 324.2043 6.283521 3088.530       119.4737 3198.546       173.1488 2988.549       165.0637 329.4563 8.969647 318.4711 8.846102 10.98526       12.59794 
1 1 1 -10 1  32 o 126.2230 10.47030 473.0089       76.81147 425.7435       107.4299 522.4430       109.8668 118.7248 15.82237 132.0109 14.42529 -13.28603      21.41113 
1 1 1 -10 1  33 f 282.8046 6.735078 2350.903       111.7068 2269.077       151.4645 2448.491       165.4095 277.3807 9.323993 288.0646 9.805133 -10.68393      13.53061 
1 1 1 -10 1  34 o 367.8259 6.844514 3978.021       147.6507 3955.965       208.6079 4000.162       209.0119 366.1805 9.722309 368.2299 9.686765 -2.049408      13.72431 
1 1 1 -10 1  35 o 659.9945 9.694901 12850.37       375.2617 12502.39       515.3253 13243.22       547.5388 649.1501 13.53586 667.8472 13.97936 -18.69714      19.45872 
1 1 1 -10 1  36 o 121.2182 14.13878 442.9001       98.62980 320.2814       122.6136 667.6942       166.0170 101.0389 21.36087 147.6103 19.66607 -46.57139      29.03517 
1 1 1 -10 1  37 o 219.0613 8.255920 1417.111       105.8775 1440.667       146.7457 1391.533       152.9114 220.1826 11.40287 216.2029 12.10783 3.979736       16.63205 
1 1 1 -10 1  38 o 38.37477 17.36963 -43.23073      83.90708 6.944708       120.8622 -89.91273      116.5788 52.31638 22.32281 42.58327 19.71583 9.733105       29.78291 
1 1 1 -10 1  39 o 268.6138 8.561176 2134.022       134.6968 2635.104       223.0077 1846.227       169.0082 296.9784 12.83426 248.9235 11.60885 48.05495       17.30560 
1 1 1 -10 1  40 o 35.97662 16.88642 -87.49355      90.33537 -55.63033      126.9730 -120.1524      128.5486 47.29432 21.39091 42.86266 20.12654 4.431664       29.37088 
1 1 1 -10 1  41 o 285.0224 7.186274 2402.603       120.0292 2402.135       170.2799 2403.066       169.2189 283.7538 10.24909 283.8405 10.18188 -0.8673096E-01 14.44695 
1 1 1 -10 1  42 o 245.6299 7.452912 1788.822       107.2396 1914.150       151.3168 1662.351       152.0049 252.8869 10.22366 235.2366 11.04885 17.65025       15.05326 
1 1 1 -10 1  43 o 96.74875 14.85123 292.5739       81.57912 337.6123       119.5878 253.3725       111.5697 101.3684 20.81314 87.14989 21.86724 14.21856       30.18879 
1 1 1 -10 1  44 o 91.64446 16.92082 269.1577       87.59534 316.3026       126.3154 225.4832       121.5775 96.66896 22.67451 81.26957 23.91221 15.39939       32.95341 
1 1 1 -10 1  45 o 65.11246 20.64931 139.3523       88.49150 191.8804       127.4150 90.40631       122.9938 74.93831 24.85756 59.94382 23.67872 14.99449       34.33046 
1 1 1 -10 1  46 o 40.34159 18.40253 -42.17525      96.47921 66.87386       133.6290 -160.9164      139.4409 58.03407 24.03135 41.22956 19.80677 16.80451       31.14184 
1 1 1 -10 1  47 o 84.50518 20.50634 244.7116       100.5855 308.0330       137.2355 171.2098       147.8564 92.25368 24.82325 71.30990 26.50334 20.94379       36.31281 
1 1 1 -10 1  48 o 178.0139 10.96453 970.2762       113.9152 915.0976       156.4803 1032.489       166.1557 168.9303 15.98445 179.5391 15.94564 -10.60875      22.57800 
1 1 1 -10 1  49 o 52.63295 22.56988 38.17693       124.6733 53.83909       146.8556 -2.241149      235.9134 57.02096 24.47433 62.27888 28.54779 -5.257923      37.60278 
1 1 1 -10 1  50 o 104.1541 26.04760 412.3301       158.6834 208.8313       254.3828 541.9573       203.0274 76.49578 32.50374 115.8075 29.74002 -39.31175      44.05635 
1 1 1 -10 1  51 o 113.6897 21.79985 458.9663       140.0661 350.5181       198.0551 567.4766       198.1117 90.20173 30.98992 119.1612 28.69324 -28.95950      42.23361 
1 1 1 -10 2  1  f 311.1463 14.97278 2859.117       272.4213 2859.117       272.4213 0.000000       0.000000 311.1463 14.97278 ?        ?        0.000000       14.97278 
1 1 1 -10 2  2  o 1126.780 18.37691 37501.16       1214.401 37242.91       1708.495 37764.89       1726.493 1118.833 26.03741 1126.588 26.13058 -7.755127      36.88840 
1 1 1 -10 2  3  o 370.0551 15.96534 4044.755       345.6782 0.000000       0.000000 4044.755       345.6782 ?        ?        370.0551 15.96534 0.000000       15.96534 
1 1 1 -10 2  4  o 273.4771 7.442625 2197.228       119.2597 2257.801       169.1036 2137.289       168.2171 276.9772 10.42881 269.4502 10.66596 7.526947       14.91720 
1 1 1 -10 2  5  o 939.5458 15.47372 26006.50       852.6349 25743.05       1196.181 26278.59       1215.671 932.6130 21.86981 942.2120 21.99971 -9.598999      31.02057 
1 1 1 -10 2  6  o 260.9121 7.174875 1999.622       109.6848 2026.909       153.8802 1971.440       156.3857 262.4775 10.01469 258.8289 10.32300 3.648621       14.38257 
1 1 1 -10 2  7  o 580.4598 10.19366 9897.228       347.0186 9941.241       492.2646 9853.749       489.2661 581.2454 14.44071 578.6854 14.41624 2.559998       20.40495 
1 1 1 -10 2  8  o 511.1896 9.293061 7672.585       278.6066 7704.886       394.8463 7640.557       393.1775 511.7664 13.16639 509.6241 13.16594 2.142242       18.61977 
1 1 1 -10 2  9  o 677.1354 11.54029 13468.81       458.2924 13344.29       643.8602 13596.67       652.4723 673.4143 16.30267 679.7433 16.36691 -6.328979      23.10092 
1 1 1 -10 2  10 o 91.93819 11.63159 252.1993       61.31567 193.6237       85.56906 314.0168       87.90504 79.51342 18.67049 102.2549 15.11285 -22.74152      24.02052 
1 1 1 -10 2  11 o 531.3698 9.516066 8287.620       296.5547 8192.233       416.7105 8385.501       422.1254 527.8788 13.47115 534.0717 13.48774 -6.192810      19.06281 
1 1 1 -10 2  12 o 206.7083 8.139950 1255.725       98.48731 1189.325       119.5782 1395.763       173.6566 201.0307 10.17545 217.5403 13.68062 -16.50951      17.04991 
1 1 1 -10 2  13 o 665.9935 11.38983 13023.18       444.8749 13438.71       644.8634 12645.83       614.5284 676.0853 16.26356 655.8676 15.97626 20.21771       22.79790 
1 1 1 -10 2  14 o 707.3584 13.89201 14701.08       576.3088 13914.25       676.6845 16778.91       1099.646 687.8610 16.77394 753.6619 24.91283 -65.80096      30.03355 
1 1 1 -10 2  15 o 1125.120 21.13746 37296.50       1394.769 36643.23       1684.511 38720.92       2487.400 1113.944 25.78457 1140.187 37.24796 -26.24255      45.30182 
1 1 1 -10 2  16 o 1123.508 21.15862 37198.67       1394.164 36213.99       1671.712 39447.89       2526.557 1107.223 25.74400 1150.315 37.50097 -43.09265      45.48709 
1 1 1 -10 2  17 o 496.7482 9.453576 7243.531       275.4120 7271.265       390.1765 7215.991       388.8100 497.2559 13.39140 495.3605 13.39567 1.895386       18.94132 
1 1 1 -10 2  18 o 349.9226 9.444018 3597.256       193.6342 3847.694       242.8907 3160.547       320.7425 361.7521 11.46299 327.2915 16.76567 34.46060       20.30979 
1 1 1 -10 2  19 o 980.3671 16.08796 28284.53       924.9970 27797.71       1289.880 28799.93       1327.205 970.1910 22.66949 987.4491 22.91779 -17.25812      32.23555 
1 1 1 -10 2  20 o 588.7606 10.35605 10181.78       357.5883 10227.19       507.8679 10137.13       503.5720 589.5746 14.68796 586.9811 14.62807 2.593445       20.72960 
1 1 1 -10 2  21 o 672.4194 11.50922 13290.70       453.8755 13161.96       638.5659 13422.14       645.2401 668.3480 16.29118 674.9196 16.30117 -6.571594      23.04627 
1 1 1 -10 2  22 o 401.5353 11.54018 4745.027       271.4788 4789.274       399.0272 4706.895       370.4244 402.5698 16.93879 399.2788 15.85027 3.291046       23.19814 
1 1 1 -10 2  23 o 180.2887 7.590786 956.1563       80.08161 950.4080       116.3669 961.3278       110.3755 179.4209 11.11329 180.5206 10.47040 -1.099716      15.26874 
1 1 1 -10 2  24 f 224.7014 6.890410 1483.953       90.69593 1384.383       128.3664 1583.205       128.1607 216.7310 10.12703 231.8757 9.444066 -15.14468      13.84728 
1 1 1 -10 2  25 o 242.5202 6.730078 1728.590       95.63094 1744.662       137.1198 1713.369       133.4404 243.3618 9.626199 241.1857 9.452071 2.176025       13.49094 
1 1 1 -10 2  26 o 298.6586 6.982460 2620.340       122.3021 2598.979       173.1305 2641.617       172.7927 296.9967 9.953721 299.4401 9.852730 -2.443390      14.00546 
1 1 1 -10 2  27 o 60.32057 16.03202 111.6229       57.68129 52.13174       83.95681 164.8082       79.38257 51.27621 19.75996 73.05647 18.50883 -21.78026      27.07458 
1 1 1 -10 2  28 o 282.1592 6.386331 2338.963       105.6808 2569.560       254.0178 2290.696       116.2161 294.1863 14.77007 279.0807 7.106232 15.10559       16.39066 
1 1 1 -10 2  29 o 336.3166 10.81613 3339.469       213.0618 3604.250       316.4821 3119.991       288.1383 348.1692 15.53831 323.9841 15.20689 24.18509       21.74140 
1 1 1 -10 2  30 o 152.4297 8.119658 685.5845       72.32493 702.2720       181.1749 682.4210       78.88293 151.7138 20.91822 151.9831 8.888675 -0.2692871     22.72841 
1 1 1 -10 2  31 o 323.2539 7.799411 3073.862       147.8618 3591.635       324.6355 2938.332       166.0901 347.3152 15.98038 315.7592 8.977975 31.55603       18.32966 
1 1 1 -10 2  32 o 343.0900 6.564266 3459.415       132.0823 3542.574       189.8615 3381.422       183.8679 346.6696 9.346890 338.7025 9.264994 7.967133       13.16072 
1 1 1 -10 2  33 o 233.2819 7.049829 1601.471       96.34107 1743.541       138.9023 1469.768       133.7381 243.0334 9.765131 223.0268 10.25205 20.00655       14.15847 
1 1 1 -10 2  34 o 136.9830 9.599618 555.8235       76.63257 526.5676       105.3284 588.7271       111.7018 132.5997 13.74321 140.2819 13.75371 -7.682220      19.44325 
1 1 1 -10 2  35 o 224.9074 7.367392 1490.074       97.04689 1554.080       131.4291 1413.335       143.9084 229.2966 9.795919 218.3611 11.27544 10.93549       14.93639 
1 1 1 -10 2  36 o 113.7958 12.85660 389.1071       84.30232 297.4088       111.8805 509.5591       128.2274 97.54451 20.22148 129.3033 17.34628 -31.75879      26.64210 
1 1 1 -10 2  37 o 354.8781 6.967719 3707.939       145.0175 3679.296       202.8961 3737.853       207.3476 352.6716 9.819189 355.4254 9.956995 -2.753723      13.98421 
1 1 1 -10 2  38 o 189.1020 9.069468 1058.828       100.2907 953.8668       140.4085 1168.159       143.3007 178.3927 13.52110 197.8351 12.41335 -19.44240      18.35514 
1 1 1 -10 2  39 o 179.8217 9.840560 960.5806       103.3841 987.5667       148.7265 935.3486       143.8118 181.1248 14.11233 176.2713 14.02673 4.853470       19.89742 
1 1 1 -10 2  40 o 169.5927 10.01102 856.7924       99.12882 873.3606       139.9462 840.1085       140.4337 169.9180 14.17231 166.5024 14.52668 3.415634       20.29480 
1 1 1 -10 2  41 o 139.4234 12.72876 588.7781       102.9345 536.3666       159.3686 626.2928       134.8314 129.1723 21.81291 142.3651 16.45097 -13.19281      27.32100 
1 1 1 -10 2  42 o 188.2373 8.652823 1055.495       95.26881 1090.750       136.7109 1022.210       132.8337 189.8497 12.34538 183.7396 12.39955 6.110138       17.49734 
1 1 1 -10 2  43 o 170.0113 9.682984 866.6537       96.14752 1091.865       141.8092 675.0442       130.8030 189.3624 12.84512 147.4923 15.34571 41.87004       20.01220 
1 1 1 -10 2  44 f 72.86705 20.60913 176.3003       91.99028 171.5065       134.8420 180.4737       125.8145 72.72240 25.53671 73.76813 24.70653 -1.045723      35.53218 
1 1 1 -10 2  45 o 239.3889 9.142844 1719.656       128.1259 1549.851       214.8115 1813.425       159.6296 221.4799 16.65972 244.4828 11.16251 -23.00282      20.05363 
1 1 1 -10 2  46 o 183.8292 9.870140 1021.097       106.0213 979.8892       144.4114 1069.276       156.1491 177.4642 13.98826 185.0268 14.50568 -7.562607      20.15158 
1 1 1 -10 2  47 o 44.37407 19.35822 3.458946       94.91842 -78.88821      130.4200 96.19899       138.4055 44.20277 20.59740 61.37454 24.82079 -17.17177      32.25407 
1 1 1 -10 2  48 o 131.1014 14.62504 545.7003       110.5360 509.6701       154.5954 583.3859       158.1067 120.5787 22.69384 130.2888 21.43640 -9.710121      31.21745 
1 1 1 -10 2  49 f 117.1808 16.66004 448.6955       111.2718 478.3722       155.5638 417.6059       159.2241 115.2835 23.79772 105.5717 25.91213 9.711884       35.18196 
1 1 1 -10 2  50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 2  51 o 35.90377 17.53981 -181.0679      121.8062 -225.1751      187.3711 -148.7851      160.2997 44.96927 21.92150 44.30938 21.27337 0.6598892      30.54682 
1 1 1 -10 3  1  o 499.2026 10.73987 7325.343       314.4319 7672.848       556.4452 7162.332       381.1105 509.3280 18.65989 493.1393 13.18928 16.18878       22.85057 
1 1 1 -10 3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 3  3  f 296.2817 10.11413 2582.484       175.4876 2487.190       237.3574 2697.376       260.6253 290.3249 13.98127 302.2674 14.74644 -11.94254      20.32076 
1 1 1 -10 3  4  o 445.0936 8.594702 5817.743       224.3534 5980.325       322.0740 5664.486       312.7009 450.7752 12.19394 438.7053 12.16536 12.06992       17.22464 
1 1 1 -10 3  5  o 339.4375 7.587463 3382.283       151.0452 3366.686       211.9778 3398.370       215.2808 338.3055 10.69737 339.8836 10.81378 -1.578125      15.21091 
1 1 1 -10 3  6  o 153.2256 8.520338 691.4602       76.26498 678.0873       102.9002 707.7593       113.6021 151.4402 11.67585 154.6315 12.63684 -3.191315      17.20509 
1 1 1 -10 3  7  o 708.2417 12.01472 14742.51       499.0520 14944.95       712.9324 14548.01       698.8117 712.2647 17.06697 702.7631 16.95511 9.501587       24.05737 
1 1 1 -10 3  8  o 826.1483 13.72995 20067.40       665.2385 19785.07       930.8066 20362.17       951.1003 819.2391 19.37306 831.0693 19.51365 -11.83026      27.49724 
1 1 1 -10 3  9  o 208.3436 7.313349 1275.279       89.22218 1354.119       128.5608 1202.022       123.9253 214.5061 10.24888 202.0526 10.49388 12.45349       14.66837 
1 1 1 -10 3  10 o 248.1178 6.956360 1807.648       101.1257 1783.090       141.4297 1833.337       144.6515 246.2622 9.812118 249.7077 9.896954 -3.445450      13.93655 
1 1 1 -10 3  11 o 175.2901 7.510252 903.2004       77.02905 880.4713       107.5774 927.1146       110.3464 172.8501 10.66401 177.3870 10.65597 -4.536880      15.07550 
1 1 1 -10 3  12 o 507.4612 9.208856 7557.743       274.0685 7607.546       390.1230 7509.211       385.1084 508.7449 13.08614 505.4516 13.00210 3.293243       18.44727 
1 1 1 -10 3  13 o 542.7523 9.716819 8646.319       309.2974 8749.595       442.2162 8547.412       432.7623 545.5474 13.83254 539.2169 13.69579 6.330505       19.46571 
1 1 1 -10 3  14 o 683.9938 11.69497 13738.29       469.1394 13970.93       672.5326 13517.78       654.7513 689.2677 16.63700 678.0170 16.46589 11.25073       23.40759 
1 1 1 -10 3  15 o 1708.484 39.13504 86995.02       3921.274 89941.43       5702.830 84352.70       5400.547 1721.311 56.56799 1668.203 55.27625 53.10864       79.09109 
1 1 1 -10 3  16 o 787.7830 18.82417 18270.78       869.7073 17653.35       1205.727 18940.44       1255.698 772.3738 26.65768 800.0281 26.80051 -27.65430      37.80079 
1 1 1 -10 3  17 o 1087.048 17.73626 34781.38       1130.736 34423.31       1586.247 35151.31       1612.277 1079.428 25.05684 1090.735 25.20402 -11.30664      35.53995 
1 1 1 -10 3  18 f 572.2066 10.25450 9614.232       344.1263 9706.163       491.1587 9525.589       482.2985 574.3538 14.59297 568.9995 14.46458 5.354309       20.54699 
1 1 1 -10 3  19 o 579.1544 10.26499 9850.319       348.6609 9602.570       485.8405 10113.41       500.6551 571.2213 14.51412 586.4004 14.55774 -15.17914      20.55693 
1 1 1 -10 3  20 o 99.43783 12.49830 295.2166       71.28129 326.1476       99.54404 262.6645       102.1192 103.9075 16.91635 92.65540 19.41495 11.25206       25.75079 
1 1 1 -10 3  21 o 219.7850 7.422661 1419.568       95.53988 1553.338       140.4042 1304.218       130.3796 229.6862 10.45042 210.4088 10.59977 19.27745       14.88511 
1 1 1 -10 3  22 o 218.5703 7.323277 1404.067       93.74181 1520.277       137.3638 1302.771       128.2471 227.1999 10.33601 210.2749 10.43200 16.92494       14.68536 
1 1 1 -10 3  23 o 229.3125 7.054995 1545.322       94.76720 1460.724       134.9181 1627.708       133.1417 222.6553 10.36045 235.1319 9.675667 -12.47658      14.17595 
1 1 1 -10 3  24 o 116.1926 9.401005 399.4740       63.51574 452.6407       93.06844 353.1232       86.89831 123.2580 13.07383 108.5545 13.97310 14.70347       19.13564 
1 1 1 -10 3  25 o 335.5775 7.285014 3308.049       143.3751 3211.946       200.5279 3408.559       205.0745 330.2082 10.36752 340.1854 10.29071 -9.977173      14.60767 
1 1 1 -10 3  26 o 224.7239 8.164654 1486.540       107.4274 1415.170       206.2384 1513.116       125.8486 218.0139 16.24682 226.5758 9.491775 -8.561890      18.81630 
1 1 1 -10 3  27 o 149.3780 9.260755 659.1635       80.73144 776.0786       169.2638 624.7347       91.85227 160.5702 18.30044 145.2037 10.86481 15.36650       21.28263 
1 1 1 -10 3  28 o 183.8587 6.978155 994.9313       75.10802 945.1641       183.0057 1005.012       82.36436 177.3705 17.83452 184.7240 7.619011 -7.353500      19.39380 
1 1 1 -10 3  29 o 244.2554 8.263309 1757.435       118.2015 2021.729       229.3923 1661.894       137.9213 260.6784 15.06878 237.2736 9.933287 23.40480       18.04822 
1 1 1 -10 3  30 o 50.94504 19.90159 48.10627       86.05572 0.000000       0.000000 48.10627       86.05572 ?        ?        50.94504 19.90159 0.000000       19.90159 
1 1 1 -10 3  31 o 515.3354 10.96465 7836.377       331.3869 7728.104       579.5891 7888.964       403.9236 508.0059 19.48980 516.1171 13.35567 -8.111206      23.62681 
1 1 1 -10 3  32 o 33.88200 15.45072 -43.24917      67.93778 -113.7716      93.74303 34.76682       98.59778 35.31271 16.76246 51.57497 20.91611 -16.26226      26.80418 
1 1 1 -10 3  33 o 133.1580 10.68182 526.3964       82.71941 558.3135       116.8400 494.3228       117.1263 136.4103 14.84387 128.0270 15.94373 8.383301       21.78401 
1 1 1 -10 3  34 o 108.3153 12.66230 351.8195       78.92048 382.6201       110.0168 319.1672       113.2754 112.0198 17.30298 101.5490 19.73109 10.47076       26.24327 
1 1 1 -10 3  35 o 84.70717 16.34947 220.9917       78.28011 174.9899       109.4525 269.1608       112.0011 75.54590 22.80140 92.71684 21.07661 -17.17094      31.05040 
1 1 1 -10 3  36 o 314.7419 6.912116 2915.395       127.5899 2814.464       177.3033 3023.797       183.7478 308.5299 9.811188 319.8097 9.808297 -11.27979      13.87307 
1 1 1 -10 3  37 o 293.3371 7.077408 2533.836       121.7564 2487.956       170.1458 2581.988       174.3087 289.8905 10.02283 295.3083 10.07929 -5.417847      14.21440 
1 1 1 -10 3  38 o 133.6621 11.53193 534.0560       89.51530 453.3155       129.7623 607.3651       123.6465 121.0717 18.89148 141.6898 15.11265 -20.61813      24.19257 
1 1 1 -10 3  39 o 245.7652 8.774360 1787.825       126.2667 1665.106       194.0782 1877.893       166.2666 235.4239 14.12136 251.1189 11.31861 -15.69496      18.09762 
1 1 1 -10 3  40 o 29.50215 14.40865 -148.3400      82.04062 -169.2414      111.2628 -123.4352      121.4515 35.86518 17.34470 41.02921 19.35742 -5.164028      25.99132 
1 1 1 -10 3  41 o 163.9975 9.519768 802.4798       91.16817 816.2435       124.8104 786.7354       133.4893 164.1702 13.07086 160.6513 14.31798 3.518921       19.38690 
1 1 1 -10 3  42 o 128.1283 11.78951 497.6499       87.59879 567.7675       127.4867 434.9350       120.5693 134.9545 16.44675 117.1403 18.13569 17.81420       24.48262 
1 1 1 -10 3  43 o 75.06041 19.94260 185.2098       89.27248 97.77826       128.1525 267.6365       124.4305 62.40335 24.31255 88.91119 23.50811 -26.50784      33.81910 
1 1 1 -10 3  44 f 97.02699 20.21955 310.9903       111.3202 521.8011       249.1852 258.4279       124.4267 115.8389 34.27309 86.77420 23.75825 29.06466       41.70251 
1 1 1 -10 3  45 o 42.11935 18.84539 -22.95968      95.59231 -37.89909      133.9261 -7.443682      136.4861 48.43070 21.93054 51.42010 22.79187 -2.989403      31.62938 
1 1 1 -10 3  46 o 59.00401 21.37287 105.7618       95.17775 276.7377       132.5985 -75.95103      136.6985 88.08952 24.68346 45.84264 21.26806 42.24688       32.58226 
1 1 1 -10 3  47 o 178.4679 10.26148 967.7571       106.9513 950.1977       148.9655 986.4376       153.6472 173.6540 14.76676 176.7944 14.95881 -3.140411      21.01959 
1 1 1 -10 3  48 o 173.0464 11.36919 920.2327       114.7441 871.2230       163.1855 968.1608       161.3750 163.6091 17.26697 173.7053 16.02104 -10.09615      23.55466 
1 1 1 -10 3  49 o 61.28720 22.43517 121.8519       105.2658 159.4612       151.3249 86.58932       146.5276 68.76399 26.52078 60.18475 25.06372 8.579239       36.49030 
1 1 1 -10 3  50 o 149.6125 15.29094 720.2364       132.2843 688.6798       193.2448 748.0634       181.4666 136.9254 24.98462 146.2223 21.82827 -9.296844      33.17686 
1 1 1 -10 4  1  o 1163.921 38.85310 40959.25       2648.442 0.000000       0.000000 40959.25       2648.442 ?        ?        1163.921 38.85310 0.000000       38.85310 
1 1 1 -10 4  2  o 1162.379 38.77800 40835.95       2639.825 0.000000       0.000000 40835.95       2639.825 ?        ?        1162.379 38.77800 0.000000       38.77800 
1 1 1 -10 4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4  4  o 349.1009 7.717318 3577.709       158.0039 3765.738       227.7416 3403.211       219.3946 357.7980 10.86569 340.1082 11.01365 17.68985       15.47139 
1 1 1 -10 4  5  o 304.7416 7.327409 2725.800       130.9582 2714.136       182.5187 2738.176       188.0089 303.7791 10.25942 305.0994 10.52294 -1.320343      14.69653 
1 1 1 -10 4  6  o 271.9879 7.211150 2172.647       114.9268 2263.912       160.7139 2077.135       164.4113 277.4609 9.892284 265.6981 10.57209 11.76276       14.47848 
1 1 1 -10 4  7  o 805.1616 13.42380 19060.66       633.8830 18941.11       891.7316 19182.78       901.2359 801.5756 18.96877 806.6547 19.05023 -5.079102      26.88356 
1 1 1 -10 4  8  o 1094.011 17.79945 35243.34       1142.034 35090.28       1609.835 35398.41       1620.375 1089.357 25.19769 1094.109 25.25250 -4.752686      35.67369 
1 1 1 -10 4  9  o 655.7314 11.24667 12627.70       432.5143 12587.64       610.3824 12668.09       612.9609 654.2000 15.90893 656.2852 15.92537 -2.085266      22.51025 
1 1 1 -10 4  10 o 523.7347 9.440191 8051.176       289.9631 7889.489       404.7895 8221.583       415.5620 518.0319 13.33471 528.8217 13.40993 -10.78986      18.91139 
1 1 1 -10 4  11 f 114.3974 9.667694 386.8514       64.25527 483.9232       88.08622 276.4560       93.93706 127.8225 11.88654 95.47557 17.41780 32.34697       21.08720 
1 1 1 -10 4  12 o 291.1953 7.144531 2487.761       122.0137 2521.272       174.5732 2455.757       170.6021 292.8976 10.17822 289.0688 10.07854 3.828796       14.32386 
1 1 1 -10 4  13 o 417.5042 9.563104 5116.111       234.1587 4943.899       282.5773 5493.511       418.3185 410.1534 11.75950 431.9213 16.54457 -21.76794      20.29800 
1 1 1 -10 4  14 o 1312.585 30.15984 50997.77       2321.704 48351.16       3142.921 54176.73       3444.540 1271.738 42.19753 1345.311 43.71544 -73.57324      60.75912 
1 1 1 -10 4  15 o 528.9642 9.692019 8213.247       300.6707 8074.862       422.5627 8355.159       427.9129 524.0389 13.76110 533.0693 13.69876 -9.030396      19.41710 
1 1 1 -10 4  16 o 859.0682 14.30946 21691.32       720.9437 21736.82       1022.065 21646.25       1017.090 858.9615 20.28870 857.1813 20.23188 1.780212       28.65240 
1 1 1 -10 4  17 o 580.4959 10.38834 9894.381       353.6679 10012.50       505.6594 9781.266       494.8400 583.3719 14.79151 576.6107 14.64479 6.761169       20.81487 
1 1 1 -10 4  18 f 298.0254 7.718125 2608.301       134.7876 2774.038       197.2288 2463.060       184.6311 307.1336 10.96706 289.3890 10.89805 17.74457       15.46105 
1 1 1 -10 4  19 o 548.9445 9.844472 8848.703       316.9359 8802.734       448.4009 8894.595       448.0293 546.9532 13.99015 549.8129 13.90560 -2.859680      19.72536 
1 1 1 -10 4  20 o 196.9348 7.734475 1140.148       89.15763 1203.555       128.3552 1081.030       123.9367 202.1050 10.86892 191.4909 11.08309 10.61415       15.52316 
1 1 1 -10 4  21 o 325.8200 8.679752 3119.687       165.7100 3182.051       206.8649 3008.001       276.8330 328.8765 10.73955 319.2659 14.82526 9.610596       18.30645 
1 1 1 -10 4  22 o 75.51695 14.74070 173.7706       62.94102 188.0677       88.87701 159.3863       89.14771 78.23193 19.45319 72.37463 20.22433 5.857300       28.06154 
1 1 1 -10 4  23 o 337.4315 7.423182 3343.490       146.9015 3194.496       206.6565 3495.679       208.8611 329.4055 10.71138 344.6446 10.34493 -15.23904      14.89132 
1 1 1 -10 4  24 o 388.8104 10.87079 4451.892       247.6412 4559.940       350.9743 4344.771       349.4657 392.6984 15.26842 383.2411 15.58075 9.457275       21.81477 
1 1 1 -10 4  25 o 347.6711 6.776208 3550.062       138.1675 3499.576       322.1662 3561.441       152.9474 343.5960 16.03173 348.1675 7.490369 -4.571533      17.69525 
1 1 1 -10 4  26 o 448.3087 8.690921 5910.585       228.5038 6301.447       480.6003 5796.420       259.7401 460.4339 17.83150 443.7538 9.980367 16.68018       20.43453 
1 1 1 -10 4  27 f 278.0310 6.387650 2270.693       104.1561 2195.844       249.7023 2286.459       114.6020 271.7824 15.73298 278.8575 7.013004 -7.075134      17.22524 
1 1 1 -10 4  28 o 202.8349 6.596191 1210.194       78.36253 1268.482       199.6281 1199.576       85.20131 205.9891 16.66667 201.8813 7.207707 4.107803       18.15844 
1 1 1 -10 4  29 o 371.0705 6.986723 4047.615       152.0479 4299.236       362.3457 3993.841       167.5091 380.0335 16.29525 368.4932 7.751014 11.54031       18.04476 
1 1 1 -10 4  30 o 62.79363 19.39195 117.8531       78.57651 559.0555       177.1952 9.856237       87.66753 134.4090 23.32419 45.78655 19.24894 88.62242       30.24136 
1 1 1 -10 4  31 o 280.1149 6.861225 2306.518       112.7167 2550.565       294.6053 2264.667       121.9993 292.1750 17.26984 277.3947 7.505989 14.78040       18.83049 
1 1 1 -10 4  32 o 427.2825 7.785724 5370.431       195.1033 5637.249       464.5240 5313.281       214.9849 434.3560 18.27609 424.8516 8.628200 9.504395       20.21043 
1 1 1 -10 4  33 o 182.5343 7.998037 982.2455       85.41279 945.0566       114.8995 1028.178       127.6951 178.6083 11.02268 186.2001 11.75345 -7.591827      16.11344 
1 1 1 -10 4  34 o 260.8455 6.645529 2001.701       101.5803 1917.382       137.6767 2102.445       150.4894 254.9029 9.224692 266.8620 9.631223 -11.95914      13.33624 
1 1 1 -10 4  35 o 214.4932 7.278321 1355.383       91.42516 1231.374       122.4984 1511.317       137.3642 203.9554 10.27414 225.9815 10.39237 -22.02606      14.61367 
1 1 1 -10 4  36 o 219.1478 7.502607 1416.022       96.28507 1444.706       130.0210 1381.191       143.2775 220.8810 10.06345 215.6700 11.36774 5.210968       15.18218 
1 1 1 -10 4  37 o 316.0579 6.844597 2940.890       126.8718 3037.010       181.8569 2849.748       177.0858 320.4019 9.689103 310.3427 9.741593 10.05914       13.73963 
1 1 1 -10 4  38 o 223.9758 7.772357 1481.033       101.9403 1739.475       143.8134 1220.046       144.5198 242.1944 10.14724 202.2181 12.24323 39.97630       15.90167 
1 1 1 -10 4  39 o 430.2202 7.565316 5461.002       190.8835 5492.351       268.7928 5429.107       271.1223 430.1587 10.65463 427.4614 10.82349 2.697327       15.18779 
1 1 1 -10 4  40 o 57.66623 20.55687 91.43411       87.65092 20.60153       123.9823 162.2091       123.9319 53.84020 22.77639 72.89914 24.52209 -19.05894      33.46785 
1 1 1 -10 4  41 o 48.34938 19.32592 42.11953       82.86637 210.6021       120.9987 -106.7053      113.7211 80.18953 23.92179 40.12067 18.86762 40.06886       30.46702 
1 1 1 -10 4  42 o 42.77447 18.42881 1.895712       83.86317 142.8414       121.4369 -126.6095      115.9539 68.53539 24.21989 39.10261 18.58486 29.43279       30.52867 
1 1 1 -10 4  43 o 111.6722 14.60744 387.5824       93.37745 657.9480       141.7025 180.0685       124.1439 144.6315 17.03185 74.08344 24.53509 70.54806       29.86728 
1 1 1 -10 4  44 o 35.06190 16.42722 -73.36269      84.82960 20.80590       119.2237 -169.9174      120.7247 51.59502 22.09684 37.30738 18.04820 14.28764       28.53082 
1 1 1 -10 4  45 o 287.2632 7.750503 2460.208       130.4558 2425.823       181.7619 2496.739       187.3498 282.9257 10.97500 286.8826 11.15648 -3.956848      15.64984 
1 1 1 -10 4  46 o 45.50729 19.51271 14.50703       93.17206 -107.2891      132.9770 131.9625       130.5859 43.04386 20.29177 65.64564 24.80109 -22.60178      32.04451 
1 1 1 -10 4  47 o 88.50342 19.52438 265.0534       98.61783 244.9921       133.6165 289.0579       146.1593 82.04164 25.27893 88.31461 26.27847 -6.272972      36.46344 
1 1 1 -10 4  48 o 166.6076 11.80437 856.4327       114.5954 747.9297       159.4592 972.3216       164.7972 150.4381 18.45994 173.7353 16.36660 -23.29724      24.67053 
1 1 1 -10 4  49 o 88.58808 21.70668 278.2049       111.8779 392.7301       158.8810 165.5681       157.5657 101.6629 26.41212 69.68880 27.01226 31.97407       37.77913 
1 1 1 -10 4  50 o 57.84010 23.74835 84.31493       129.0323 -44.71081      190.5094 193.6681       175.3856 54.49330 25.22086 72.94478 28.43577 -18.45148      38.00900 
1 1 1 -10 5  1  o 563.2814 14.17139 9344.575       467.7817 8791.711       628.8240 10029.61       699.9662 545.2444 19.69707 582.2046 20.53200 -36.96021      28.45238 
1 1 1 -10 5  2  o 263.8096 10.05906 2047.564       155.3468 1935.752       204.2495 2201.006       239.2705 256.1313 13.64641 272.9961 15.00220 -16.86481      20.28030 
1 1 1 -10 5  3  o 344.7495 8.722923 3492.180       176.2249 3166.558       276.5407 3714.821       228.6677 327.6874 14.42495 355.3722 10.98481 -27.68481      18.13134 
1 1 1 -10 5  4  o 330.7823 8.597760 3214.729       166.6517 3202.398       272.1544 3222.126       210.7935 329.6085 14.11148 330.9718 10.87441 -1.363312      17.81535 
1 1 1 -10 5  5  o 318.4267 7.537522 2976.005       140.7630 2898.547       195.3165 3059.715       203.0464 313.9363 10.62363 322.5449 10.74884 -8.608551      15.11288 
1 1 1 -10 5  6  o 371.0406 7.843726 4040.720       170.6846 4014.136       239.9971 4067.928       242.7962 369.4848 11.08793 371.9495 11.14288 -2.464691      15.71960 
1 1 1 -10 5  7  o 873.4152 14.46175 22432.83       740.7847 22167.19       1038.008 22708.54       1057.521 867.0204 20.41365 877.5109 20.54877 -10.49042      28.96496 
1 1 1 -10 5  8  f 57.67371 16.16636 100.5398       56.86828 123.6332       72.40078 63.34415       91.88516 64.06441 18.33817 54.93412 20.79274 9.130295       27.72411 
1 1 1 -10 5  9  o 171.4768 7.717562 864.5620       77.41436 932.7266       107.9504 792.3912       111.0774 177.9385 10.38956 163.8498 11.63493 14.08871       15.59855 
1 1 1 -10 5  10 o 405.5324 8.044359 4825.731       191.3232 4818.120       270.1042 4833.396       271.0419 404.9169 11.38535 405.5572 11.40684 -0.6402893     16.11652 
1 1 1 -10 5  11 o 473.9749 8.869358 6592.808       246.5461 6731.959       355.4944 6463.853       342.2218 478.5890 12.67658 468.9742 12.45354 9.614777       17.77038 
1 1 1 -10 5  12 o 175.5488 7.771291 905.9915       79.81122 887.3936       111.6237 925.4440       114.1592 173.5064 11.02664 177.2008 11.03971 -3.694427      15.60326 
1 1 1 -10 5  13 o 1245.879 20.15541 45704.13       1472.712 45189.75       2065.633 46235.90       2100.258 1236.323 28.48857 1250.498 28.63777 -14.17505      40.39456 
1 1 1 -10 5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 5  15 o 910.2338 21.41287 24418.33       1143.084 24052.55       1606.000 24793.90       1627.343 900.5809 30.45070 914.3904 30.38789 -13.80951      43.01940 
1 1 1 -10 5  16 o 442.0681 8.864728 5735.818       229.8292 5609.091       324.1720 5863.893       325.8900 436.7671 12.66876 446.6054 12.45434 -9.838257      17.76536 
1 1 1 -10 5  17 o 772.2293 18.58996 17562.21       841.9286 16995.18       1171.116 18168.75       1211.231 757.5643 26.39941 783.3123 26.40356 -25.74799      37.33734 
1 1 1 -10 5  18 o 588.6274 12.08284 10180.18       417.1191 9756.047       497.6104 11182.45       764.9423 575.7709 14.74847 615.3039 21.22949 -39.53296      25.84973 
1 1 1 -10 5  19 o 676.7596 11.59268 13457.29       460.1176 13389.10       649.8988 13525.81       651.5134 674.3637 16.43240 677.8049 16.38959 -3.441223      23.20868 
1 1 1 -10 5  20 o 193.6546 7.719980 1102.577       87.50306 1062.344       124.8751 1141.390       122.6509 189.7970 11.26926 196.8109 10.66589 -7.013901      15.51636 
1 1 1 -10 5  21 o 65.15778 19.58565 126.5376       80.87680 113.2176       198.5194 129.1884       88.55934 77.70258 30.26372 66.29190 20.60616 11.41068       36.61293 
1 1 1 -10 5  22 o 541.9060 9.709131 8629.864       308.5708 8439.604       432.3935 8827.314       440.4892 535.1388 13.78873 547.3113 13.73389 -12.17255      19.46146 
1 1 1 -10 5  23 o 212.8968 7.060117 1332.310       88.02997 1369.103       127.4856 1298.779       121.7021 215.5507 10.11285 209.9500 9.911961 5.600677       14.16039 
1 1 1 -10 5  24 o 505.7224 9.296309 7519.518       275.7231 0.000000       0.000000 7519.518       275.7231 ?        ?        505.7224 9.296309 0.000000       9.296309 
1 1 1 -10 5  25 o 274.9159 6.386187 2219.429       102.9656 2138.127       249.1369 2236.177       113.0744 268.3811 15.89960 275.8236 6.995732 -7.442505      17.37059 
1 1 1 -10 5  26 o 116.6582 9.174733 402.8347       62.26620 281.2308       175.7856 420.2813       66.58324 95.81841 28.89094 119.1198 9.612389 -23.30144      30.44806 
1 1 1 -10 5  27 o 474.8244 8.960645 6634.275       249.5300 7559.419       548.9354 6393.318       280.1472 503.6388 18.61657 465.8723 10.25342 37.76651       21.25345 
1 1 1 -10 5  28 f 137.7319 10.93582 562.9312       87.61103 0.000000       0.000000 562.9312       87.61103 ?        ?        137.7319 10.93582 0.000000       10.93582 
1 1 1 -10 5  29 o 431.8652 7.695066 5485.620       194.8997 5447.042       439.6750 5495.055       217.4291 427.2952 17.58255 432.0783 8.580345 -4.783112      19.56447 
1 1 1 -10 5  30 o 200.4490 7.351715 1183.133       86.27934 1395.636       227.7471 1147.525       93.22832 215.5779 18.18287 197.3205 8.073154 18.25739       19.89453 
1 1 1 -10 5  31 o 250.3795 7.095256 1844.585       104.0828 2179.809       284.7227 1792.878       111.8223 269.7826 18.09997 246.7626 7.736333 23.01991       19.68400 
1 1 1 -10 5  32 o 157.6024 9.433815 734.2916       86.79774 551.5847       233.9382 763.4586       93.46945 131.4838 30.86890 160.6383 9.970481 -29.15456      32.43917 
1 1 1 -10 5  33 o 143.5025 9.939691 609.9619       83.13634 720.1510       231.3809 593.6277       89.08546 151.7204 26.99297 141.4264 10.82275 10.29398       29.08182 
1 1 1 -10 5  34 o 136.9655 10.07211 556.4063       80.34043 590.7540       112.7645 520.9980       114.4923 140.4629 13.86944 131.5603 15.11302 8.902557       20.51255 
1 1 1 -10 5  35 o 390.6307 7.130604 4489.992       163.3590 4465.810       225.7850 4516.558       236.6467 388.8333 9.909122 390.9150 10.33114 -2.081696      14.31514 
1 1 1 -10 5  36 o 225.3371 7.534053 1497.213       99.42619 1597.699       140.4801 1396.355       140.7400 232.2281 10.34046 216.9002 11.10079 15.32788       15.17079 
1 1 1 -10 5  37 o 215.7393 7.791180 1373.721       98.41679 1420.397       134.7676 1320.386       144.0615 218.7984 10.53340 210.6447 11.70735 8.153717       15.74848 
1 1 1 -10 5  38 o 30.55772 14.81954 -135.8998      82.69344 -60.57467      119.0943 -206.0253      114.9103 45.47046 20.62608 34.98063 17.07740 10.48982       26.77821 
1 1 1 -10 5  39 o 204.3171 8.910493 1237.126       106.5151 1181.653       152.6953 1289.703       148.6562 198.4323 13.19585 207.6606 12.26071 -9.228256      18.01264 
1 1 1 -10 5  40 o 137.0110 11.30914 563.5213       90.06464 618.3139       133.1485 517.3049       122.2851 141.8687 16.29863 129.5589 16.46509 12.30977       23.16775 
1 1 1 -10 5  41 o 79.83192 19.59857 206.0671       91.07143 42.78993       145.4137 311.4446       116.8198 59.20017 24.83329 97.95071 20.96844 -38.75054      32.50181 
1 1 1 -10 5  42 o 116.0688 13.44926 413.5285       89.85878 465.4096       126.3654 360.4579       127.8059 121.0332 18.37919 104.7754 21.51967 16.25779       28.30001 
1 1 1 -10 5  43 f 37.90918 17.29071 -43.81665      85.13808 24.36860       124.9771 -102.8602      116.2978 53.25733 22.71123 40.56540 19.07784 12.69193       29.66081 
1 1 1 -10 5  44 o 118.6406 13.88566 436.7151       94.79073 414.8232       132.7736 459.4727       135.3728 111.8498 21.01205 118.3217 20.23483 -6.471931      29.17113 
1 1 1 -10 5  45 o 42.78150 18.76428 -5.190596      90.24529 32.99583       127.5268 -43.49620      127.7257 53.77350 22.93685 46.79667 21.27984 6.976830       31.28787 
1 1 1 -10 5  46 o 118.2570 14.42232 440.0555       97.95926 429.3205       138.3104 450.8607       138.7614 112.1776 21.80883 115.3962 21.28750 -3.218620      30.47593 
1 1 1 -10 5  47 o 87.31742 19.74009 259.1446       98.70611 234.6889       131.8913 290.2812       148.8198 80.37289 25.17232 88.22670 26.57857 -7.853806      36.60691 
1 1 1 -10 5  48 o 123.7674 15.45504 491.5455       109.7449 681.1140       151.6369 283.0351       159.0324 143.4773 18.44703 85.79357 27.73117 57.68375       33.30631 
1 1 1 -10 5  49 o 73.36433 23.56988 194.7993       115.0008 217.0427       162.7491 172.6179       162.5224 76.01704 27.88497 70.61623 27.41669 5.400818       39.10558 
1 1 1 -10 5  50 o 37.10303 18.09331 -183.8069      127.9634 -176.3312      196.7108 -189.2911      168.4854 48.55302 23.37619 43.88845 21.25340 4.664574       31.59356 
1 1 1 -10 6  1  o 213.2532 10.29279 1338.995       128.3497 1311.066       164.9524 1381.853       204.3335 210.7096 13.41794 216.0055 16.24875 -5.295853      21.07280 
1 1 1 -10 6  2  o 448.0241 9.958276 5895.613       261.6592 5670.612       426.9119 6030.995       331.1506 438.4443 16.63265 452.7584 12.48312 -14.31403      20.79600 
1 1 1 -10 6  3  o 479.2523 12.53157 6756.599       351.9228 7085.133       507.0171 6451.167       488.8669 490.0146 17.67156 467.5165 17.86252 22.49805       25.12675 
1 1 1 -10 6  4  o 407.1817 9.363455 4868.292       223.6016 5022.923       379.3931 4785.994       276.7806 412.8045 15.69954 403.4047 11.71127 9.399750       19.58646 
1 1 1 -10 6  5  o 598.0161 10.52419 10503.52       369.1069 10632.88       526.2881 10378.30       517.8072 601.2054 14.92623 593.7861 14.88092 7.419312       21.07686 
1 1 1 -10 6  6  o 644.4199 11.13229 12197.55       420.7305 12429.44       602.9637 11977.51       587.3489 649.9728 15.81778 638.0632 15.69575 11.90955       22.28359 
1 1 1 -10 6  7  o 407.9579 8.231709 4884.392       196.9500 4788.810       275.9886 4983.577       281.1415 403.6102 11.67172 411.7443 11.65424 -8.134094      16.49395 
1 1 1 -10 6  8  o 1204.397 19.50997 42718.93       1378.088 42397.63       1938.050 43047.54       1959.955 1197.299 27.60017 1206.403 27.70149 -9.103882      39.10424 
1 1 1 -10 6  9  f 452.1143 8.600422 5998.660       228.0440 6057.195       323.2834 5940.686       321.7279 453.9775 12.15316 449.5820 12.21327 4.395538       17.22972 
1 1 1 -10 6  10 o 477.0557 8.891772 6678.847       248.7757 6667.304       352.0342 6690.363       351.6101 476.2870 12.61386 477.1137 12.57673 -0.8267517     17.81246 
1 1 1 -10 6  11 o 830.3070 13.80532 20254.20       672.2574 20204.32       950.4055 20304.15       951.0259 828.4999 19.55987 830.5499 19.52433 -2.049988      27.63671 
1 1 1 -10 6  12 o 512.2219 9.365321 7700.484       281.3399 7606.125       396.4904 7796.172       399.2736 508.6741 13.30195 515.0007 13.23037 -6.326660      18.76125 
1 1 1 -10 6  13 o 603.0190 10.61994 10675.50       375.5808 10624.47       532.3741 10726.06       529.9371 601.0289 15.11526 604.0997 14.95771 -3.070740      21.26510 
1 1 1 -10 6  14 o 618.4049 15.58984 11250.56       564.9612 11461.10       821.0389 11061.22       778.6006 623.0814 22.50517 612.2427 21.71847 10.83875       31.27578 
1 1 1 -10 6  15 o 426.3690 8.704541 5335.339       217.6617 5262.043       309.3734 5407.182       306.2900 423.0566 12.48272 428.8821 12.18948 -5.825500      17.44711 
1 1 1 -10 6  16 o 254.6661 10.48095 1907.499       156.2043 1977.732       209.2018 1819.009       234.8243 259.0395 13.82050 248.1469 16.22452 10.89255       21.31294 
1 1 1 -10 6  17 o 1021.472 19.38959 30744.39       1161.571 29593.04       1380.492 33535.79       2149.527 1001.031 23.51449 1060.747 34.59887 -59.71545      41.83316 
1 1 1 -10 6  18 o 523.3103 11.10767 8044.214       340.9047 7719.059       408.1889 8793.949       619.8256 512.2269 13.59980 545.8586 19.39230 -33.63165      23.68578 
1 1 1 -10 6  19 f 864.8679 14.34580 22004.69       727.6544 21561.66       1015.379 22472.43       1043.306 854.7563 20.25515 872.5859 20.38699 -17.82959      28.73848 
1 1 1 -10 6  20 o 128.1120 9.730819 484.8729       72.56530 545.1259       103.3371 426.2574       101.9232 135.4996 13.16965 119.4171 14.87468 16.08253       19.86695 
1 1 1 -10 6  21 o 164.0046 8.256261 791.8494       79.15729 902.6914       116.4578 696.6642       107.9198 174.8457 11.41947 153.4305 12.09095 21.41525       16.63116 
1 1 1 -10 6  22 o 288.1023 7.152689 2436.932       120.8556 2371.968       172.0536 2500.205       169.7998 283.8600 10.35231 291.4844 9.947367 -7.624420      14.35689 
1 1 1 -10 6  23 o 156.2492 7.230801 718.4657       66.08084 825.2025       201.0446 705.5376       69.96837 165.4327 21.20871 154.7941 7.731679 10.63864       22.57406 
1 1 1 -10 6  24 o 167.7692 7.000641 828.0807       68.72984 950.1976       199.7879 811.6888       73.19749 177.9211 19.46378 166.0538 7.535811 11.86729       20.87168 
1 1 1 -10 6  25 o 309.8134 6.680096 2819.177       121.3762 2668.764       300.9498 2848.396       132.6424 299.6005 17.20006 311.3689 7.263676 -11.76840      18.67092 
1 1 1 -10 6  26 o 389.8715 7.225628 4466.582       165.2143 4106.377       367.7708 4557.653       184.9244 371.7077 16.91472 393.7318 8.008352 -22.02411      18.71474 
1 1 1 -10 6  27 o 327.8246 7.523000 3159.349       144.6382 3792.352       331.2587 3010.241       160.7735 357.2866 15.84828 319.7602 8.580885 37.52634       18.02220 
1 1 1 -10 6  28 o 211.0710 8.774472 1313.559       108.3807 0.000000       0.000000 1313.559       108.3807 ?        ?        211.0710 8.774472 0.000000       8.774472 
1 1 1 -10 6  29 o 249.9009 8.840615 1840.954       129.3648 0.000000       0.000000 1840.954       129.3648 ?        ?        249.9009 8.840615 0.000000       8.840615 
1 1 1 -10 6  30 f 603.7938 9.530800 10741.35       337.4959 11580.39       810.0786 10565.12       371.2499 620.0206 22.31410 598.4924 10.57687 21.52820       24.69391 
1 1 1 -10 6  31 o 244.9804 8.424577 1768.416       120.8602 2101.778       285.8944 1695.876       133.3631 264.7640 18.52875 239.7382 9.504064 25.02579       20.82407 
1 1 1 -10 6  32 o 283.4789 7.402895 2364.782       122.9705 2646.722       318.1183 2315.252       133.3352 297.3078 18.33367 280.3925 8.116808 16.91537       20.05009 
1 1 1 -10 6  33 o 210.2758 7.908639 1302.880       97.35696 1186.884       258.8915 1321.986       105.0692 197.1752 22.80804 211.7382 8.478224 -14.56296      24.33284 
1 1 1 -10 6  34 o 267.4548 8.771043 2109.779       137.3930 2177.186       292.1801 2090.642       155.6787 269.0128 18.63458 266.0082 9.996706 3.004547       21.14668 
1 1 1 -10 6  35 o 199.5929 7.651357 1174.648       89.39825 1180.268       120.0552 1167.653       133.9373 199.6285 10.28906 198.2977 11.56706 1.330856       15.48101 
1 1 1 -10 6  36 o 195.7367 8.125798 1131.286       93.07719 1085.642       126.0858 1185.947       137.9787 191.1216 11.29922 199.6574 11.83667 -8.535751      16.36395 
1 1 1 -10 6  37 o 419.1675 7.285396 5176.137       179.0983 5144.800       249.6446 5209.369       257.0857 416.9703 10.20861 419.4882 10.44979 -2.517883      14.60869 
1 1 1 -10 6  38 o 201.9254 8.706936 1206.623       102.8691 1241.866       144.8321 1170.743       146.1344 203.9863 12.16156 197.8937 12.65764 6.092529       17.55333 
1 1 1 -10 6  39 o 171.0450 9.899001 870.2390       98.87647 971.5305       146.0621 784.5566       134.3374 179.5325 13.98234 161.1000 14.36907 18.43250       20.04934 
1 1 1 -10 6  40 o 35.78580 17.43213 -198.5968      117.8859 0.000000       0.000000 -198.5968      117.8859 ?        ?        35.78580 17.43213 0.000000       17.43213 
1 1 1 -10 6  41 o 129.8278 11.92405 510.1414       89.77763 525.5475       125.9107 494.2086       128.0457 129.8083 16.94301 125.3871 17.92173 4.421158       24.66280 
1 1 1 -10 6  42 o 58.26060 20.18069 100.9106       84.05057 226.8415       122.0428 -12.70945      115.9240 82.23382 23.89196 48.05022 21.16437 34.18360       31.91797 
1 1 1 -10 6  43 o 132.3555 11.49725 531.9247       88.36098 660.6939       121.8415 389.0672       128.3337 146.2639 14.39003 108.7879 20.87350 37.47601       25.35303 
1 1 1 -10 6  44 o 94.14166 16.92459 284.7168       90.00890 367.8216       122.9651 188.7915       132.1099 105.2788 20.65357 74.91937 25.31841 30.35947       32.67402 
1 1 1 -10 6  45 o 62.40598 20.82816 125.7979       89.42577 167.2030       125.9920 83.76232       126.9477 70.84704 24.69824 59.39751 23.85920 11.44953       34.34042 
1 1 1 -10 6  46 o 118.3601 14.34721 440.7496       97.56094 461.8097       133.8353 416.8683       142.5177 117.5698 20.13366 109.6510 22.90179 7.918839       30.49354 
1 1 1 -10 6  47 o 75.48498 21.86426 199.2513       102.3484 381.8252       141.2566 -2.526840      148.5000 103.5070 23.77139 52.84823 23.57801 50.65879       33.48136 
1 1 1 -10 6  48 o 205.5454 9.813530 1282.828       117.9580 1140.250       165.1650 1431.260       168.5212 189.5048 14.98280 213.9286 13.50068 -24.42387      20.16811 
1 1 1 -10 6  49 o 72.19492 23.86082 188.6620       117.4321 187.8046       167.0462 189.4997       165.1188 72.41188 27.88100 72.56482 27.77571 -0.1529388     39.35531 
1 1 1 -10 6  50 o 49.22619 21.72866 9.868998       122.8037 68.43325       181.1810 -39.90014      167.0230 61.30490 26.74476 51.77217 23.83745 9.532722       35.82605 
1 1 1 -10 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  3  o 523.8550 13.27606 8072.152       407.5498 8459.274       589.6475 7718.053       563.9367 535.4525 18.80597 511.4214 18.83403 24.03107       26.61551 
1 1 1 -10 7  4  o 800.6554 15.44600 18858.11       725.2907 18059.60       1207.114 19309.26       907.3346 780.7007 26.40210 809.4914 19.11194 -28.79065      32.59351 
1 1 1 -10 7  5  o 397.9007 9.185532 4647.654       214.3530 4398.938       342.7052 4807.485       274.7250 386.4588 15.14988 404.3913 11.59564 -17.93250      19.07820 
1 1 1 -10 7  6  o 690.8704 11.80377 14019.51       478.2643 13929.79       673.4271 14110.82       679.3475 688.0878 16.68769 692.5393 16.72619 -4.451477      23.62720 
1 1 1 -10 7  7  o 348.6632 7.750929 3567.165       158.4931 3636.818       223.4931 3496.695       224.7989 351.7718 10.84605 344.9012 11.12802 6.870605       15.53929 
1 1 1 -10 7  8  o 286.4298 7.422121 2408.789       124.5750 2342.612       172.5795 2480.784       180.0063 282.2904 10.44219 290.4977 10.58330 -8.207214      14.86760 
1 1 1 -10 7  9  o 384.5728 7.943435 4339.627       179.1585 4411.171       255.5821 4270.509       251.2112 387.4435 11.25985 381.2116 11.24858 6.231842       15.91586 
1 1 1 -10 7  10 o 371.2893 7.852276 4044.920       170.9852 3938.574       239.5370 4155.401       244.1481 366.0922 11.16966 376.0495 11.08235 -9.957336      15.73467 
1 1 1 -10 7  11 o 249.9722 7.248518 1834.827       106.1531 1899.403       151.3929 1772.373       148.8847 254.1724 10.17667 245.4993 10.36400 8.673035       14.52505 
1 1 1 -10 7  12 o 453.7128 8.780084 6041.208       233.6308 6115.667       337.3180 5972.557       323.8983 456.1356 12.62155 450.7932 12.26265 5.342316       17.59762 
1 1 1 -10 7  13 o 660.6578 11.43194 12816.63       442.9420 12718.21       626.2772 12915.13       626.5522 657.6545 16.23746 662.7396 16.11995 -5.085083      22.88030 
1 1 1 -10 7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  15 o 1342.526 31.01353 53441.80       2441.881 59947.43       3792.642 48835.46       3191.359 1412.002 45.85984 1276.417 42.69176 135.5846       62.65549 
1 1 1 -10 7  16 o 804.6845 19.33260 19075.48       912.3604 20668.47       1381.294 17842.64       1215.158 834.9697 28.24820 776.1722 26.73456 58.79755       38.89341 
1 1 1 -10 7  17 o 744.9551 17.78453 16342.17       777.0038 18142.98       1183.743 14978.93       1029.940 782.6929 25.82322 711.3961 24.72353 71.29688       35.75041 
1 1 1 -10 7  18 o 335.1705 7.717339 3297.065       151.6994 3240.048       217.0638 3351.500       212.0932 331.9163 11.16676 337.6208 10.72502 -5.704529      15.48298 
1 1 1 -10 7  19 o 416.5318 8.315370 5093.495       203.1329 4992.771       289.3789 5191.338       285.2129 411.9644 11.98999 420.1277 11.58650 -8.163300      16.67354 
1 1 1 -10 7  20 o 541.8098 14.02802 8646.507       445.3775 8620.212       643.2739 8670.717       617.2498 539.6662 20.36103 541.4617 19.46930 -1.795471      28.17135 
1 1 1 -10 7  21 o 410.6306 9.593114 4954.495       231.0263 4769.564       420.4819 5034.460       276.4999 401.5009 17.90209 413.6025 11.40976 -12.10162      21.22893 
1 1 1 -10 7  22 o 649.6317 10.13108 12407.15       385.9879 12877.34       890.1661 12298.28       428.3523 657.8962 23.10670 646.5731 11.29622 11.32306       25.72011 
1 1 1 -10 7  23 o 76.57548 13.53784 177.9292       58.57464 145.7297       181.8439 181.6570       61.87241 78.89696 29.37877 77.28898 14.17198 1.607979       32.61835 
1 1 1 -10 7  24 o 417.1080 7.440092 5111.133       182.0025 4938.729       418.6296 5151.314       202.1021 407.9417 17.53869 418.6581 8.231154 -10.71640      19.37415 
1 1 1 -10 7  25 o 187.0277 8.004219 1030.065       87.59310 979.5482       218.0801 1039.782       95.64751 180.1178 21.04064 187.8374 8.706107 -7.719635      22.77070 
1 1 1 -10 7  26 o 157.8118 8.794806 734.8936       81.07649 822.8029       221.0938 721.2355       87.14747 164.0510 23.66310 156.2450 9.556094 7.806015       25.51982 
1 1 1 -10 7  27 o 79.01279 19.03890 193.4381       87.17702 0.000000       0.000000 193.4381       87.17702 ?        ?        79.01279 19.03890 0.000000       19.03890 
1 1 1 -10 7  28 o 157.8994 9.566257 737.0849       88.17204 1030.534       210.9191 674.9437       97.05982 184.6870 19.78058 150.8601 11.04678 33.82686       22.65619 
1 1 1 -10 7  29 o 275.7617 10.36406 2245.462       167.3174 2449.702       276.7979 2127.866       210.0330 286.5470 16.54117 267.8028 13.41551 18.74417       21.29756 
1 1 1 -10 7  30 o 253.1695 8.188855 1888.030       121.4265 2510.287       279.7560 1743.589       134.7848 290.0786 16.51242 243.0935 9.472158 46.98514       19.03633 
1 1 1 -10 7  31 o 317.0130 7.141908 2954.736       132.7828 2767.885       316.9713 2994.505       146.2322 304.2393 17.84287 319.0565 7.814926 -14.81720      19.47925 
1 1 1 -10 7  32 o 407.9374 7.813470 4895.563       186.9339 5002.432       440.8097 4872.129       206.4131 408.9940 18.42469 406.8125 8.651522 2.181519       20.35480 
1 1 1 -10 7  33 f 189.8581 8.364353 1063.220       92.90621 1076.408       253.2158 1061.168       99.87141 187.3481 23.56592 189.5861 9.007997 -2.237961      25.22889 
1 1 1 -10 7  34 o 576.7077 9.443106 9807.890       319.3899 10069.20       732.2786 9746.502       354.9290 577.1004 21.67439 574.5062 10.53407 2.594177       24.09867 
1 1 1 -10 7  35 o 165.7246 9.164356 812.6966       88.72485 814.5411       126.5514 810.9135       124.4274 165.1250 13.17707 164.7998 12.97853 0.3251801      18.49534 
1 1 1 -10 7  36 o 88.78079 16.14636 242.8987       80.97459 137.1018       111.5412 360.7831       117.7409 68.79710 23.26406 107.7984 19.33394 -39.00130      30.24925 
1 1 1 -10 7  37 o 296.3632 7.119777 2587.160       123.7489 2440.787       168.2690 2759.577       182.6260 287.0593 10.01030 305.1884 10.21779 -18.12903      14.30417 
1 1 1 -10 7  38 o 262.4417 7.468834 2032.596       114.8403 2059.531       157.2313 2001.796       168.1336 263.4580 10.19524 259.4594 11.07477 3.998566       15.05302 
1 1 1 -10 7  39 f 120.6550 17.29399 449.7278       118.8801 773.9631       265.6935 368.5695       132.9283 152.1349 30.83557 107.4486 21.83964 44.68623       37.78627 
1 1 1 -10 7  40 o 207.4902 8.516384 1277.911       103.4140 1218.878       144.4761 1339.935       148.0898 201.3150 12.29549 211.2301 12.00356 -9.915100      17.18326 
1 1 1 -10 7  41 o 362.1923 7.213243 3882.024       153.2217 3898.308       217.2656 3865.912       216.1154 361.1355 10.26860 359.6385 10.25682 1.497009       14.51367 
1 1 1 -10 7  42 o 84.73980 17.53551 230.5077       84.27281 202.4960       113.9183 264.3666       125.2448 77.99034 23.19813 88.51005 23.66913 -10.51971      33.14183 
1 1 1 -10 7  43 o 173.4058 9.690877 902.5854       98.16261 822.0916       134.4568 994.4553       143.6440 163.3322 14.17682 180.0137 13.70914 -16.68152      19.72112 
1 1 1 -10 7  44 o 110.4284 14.62878 382.0860       92.41310 443.6703       130.0609 319.2919       131.3322 116.2748 19.78029 96.23206 23.48113 20.04273       30.70217 
1 1 1 -10 7  45 o 63.97738 21.21148 133.6807       92.78102 124.7025       126.6957 144.0640       136.2488 64.64491 24.42757 67.96298 25.40582 -3.318077      35.24432 
1 1 1 -10 7  46 o 117.5011 15.25207 438.6570       102.6267 357.1818       138.3071 538.4772       153.0880 100.5008 23.82944 125.9723 21.49175 -25.47144      32.08952 
1 1 1 -10 7  47 o 64.61259 22.51158 139.2208       104.6618 227.9467       146.0613 45.58612       150.0474 78.74520 26.62170 57.17049 24.64099 21.57471       36.27524 
1 1 1 -10 7  48 o 41.57074 19.11086 -47.92689      106.7762 -110.7535      158.3785 4.423975       144.5727 46.64366 22.03621 52.46094 23.34354 -5.817284      32.10164 
1 1 1 -10 7  49 o 79.78709 23.47182 233.4454       117.1493 -35.96782      173.7507 458.0029       158.6284 53.06760 24.38969 111.2539 24.93064 -58.18626      34.87684 
1 1 1 -10 7  50 o 99.41447 21.54135 350.2866       121.9600 455.6954       180.3896 261.5364       165.5228 107.0560 28.30443 81.14008 28.30748 25.91596       40.03067 
1 1 1 -10 8  1  o 537.7151 13.59193 8503.762       428.2877 8390.158       592.7630 8627.847       619.5020 533.3593 18.98033 540.7738 19.56559 -7.414551      27.25922 
1 1 1 -10 8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 8  3  o 691.0142 16.55396 14048.91       670.8717 13654.60       925.0680 14486.36       974.3619 679.7618 23.23836 700.0601 23.76646 -20.29834      33.23953 
1 1 1 -10 8  4  o 570.3713 14.09072 9562.067       471.3478 9275.223       648.4562 9883.396       686.3278 560.7775 19.74776 578.8073 20.24961 -18.02979      28.28464 
1 1 1 -10 8  5  o 1092.954 20.56737 35196.16       1318.352 36393.73       2337.357 34637.41       1596.549 1105.373 36.10345 1082.974 25.13703 22.39941       43.99238 
1 1 1 -10 8  6  o 207.2069 8.230961 1261.908       99.82524 1366.851       128.0405 1099.251       159.4067 215.5412 10.15757 192.8886 14.19058 22.65257       17.45133 
1 1 1 -10 8  7  f 625.1019 10.89375 11472.39       399.3730 11242.40       556.0988 11717.36       573.9203 618.4333 15.33235 631.3448 15.50010 -12.91150      21.80215 
1 1 1 -10 8  8  o 1142.391 18.55889 38400.34       1243.419 37628.55       1728.746 39227.56       1789.759 1128.968 26.10953 1152.596 26.47688 -23.62805      37.18511 
1 1 1 -10 8  9  o 1074.208 17.50935 33939.77       1103.085 33519.34       1543.850 34378.27       1576.662 1065.945 24.69562 1079.461 24.90470 -13.51599      35.07303 
1 1 1 -10 8  10 o 383.2230 8.088240 4309.285       181.7842 4125.403       252.5117 4507.108       261.9089 374.6575 11.50566 391.6290 11.41534 -16.97150      16.20772 
1 1 1 -10 8  11 o 753.1934 12.72550 16662.70       562.1235 16167.88       779.1238 17199.91       811.8084 741.3290 17.92029 764.5978 18.10381 -23.26880      25.47321 
1 1 1 -10 8  12 o 185.6339 11.43473 1015.702       123.8855 1015.702       123.8855 0.000000       0.000000 185.6339 11.43473 ?        ?        0.000000       11.43473 
1 1 1 -10 8  13 o 489.7338 9.374590 7039.734       269.2545 7083.730       386.5719 6998.278       375.2472 490.8312 13.44178 487.8902 13.12622 2.940979       18.78773 
1 1 1 -10 8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 8  15 o 414.8615 8.739628 5051.569       212.6408 4991.751       303.8907 5108.955       297.6455 412.0030 12.59147 416.8532 12.18800 -4.850159      17.52405 
1 1 1 -10 8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 8  17 f 392.7634 11.07433 4534.875       254.8387 4919.129       371.7886 4194.357       349.9910 408.5974 15.54328 377.2128 15.85585 31.38467       22.20364 
1 1 1 -10 8  18 o 414.8237 9.705966 5053.376       236.1309 4993.306       289.9378 5171.703       406.9278 412.0173 12.01165 418.7398 16.60292 -6.722473      20.49235 
1 1 1 -10 8  19 o 554.1165 9.948922 9019.636       323.3163 9215.411       468.2370 8841.231       446.9801 559.3947 14.28408 547.9720 13.91974 11.42267       19.94477 
1 1 1 -10 8  20 f 593.7622 9.580972 10357.60       333.6358 10066.11       737.0676 10432.71       374.1625 582.7368 21.60414 595.7724 10.70852 -13.03564      24.11247 
1 1 1 -10 8  21 o 281.6102 6.743041 2327.963       111.3665 2081.459       279.0164 2374.676       121.4611 264.8186 18.07347 284.3031 7.290607 -19.48447      19.48854 
1 1 1 -10 8  22 o 166.1257 7.299536 811.9786       70.94489 604.8611       215.3897 837.1834       75.13775 139.9701 27.21886 168.6648 7.615613 -28.69470      28.26418 
1 1 1 -10 8  23 o 147.9025 7.653878 644.3254       66.16491 628.9781       203.8866 646.1318       69.95068 143.0763 25.21915 148.0722 8.085730 -4.995834      26.48366 
1 1 1 -10 8  24 o 147.6192 7.817764 642.1580       67.44113 651.0325       214.1093 641.1805       71.05822 145.2186 26.09917 147.4655 8.249125 -2.246887      27.37179 
1 1 1 -10 8  25 o 490.8100 10.77757 7095.893       310.2307 0.000000       0.000000 7095.893       310.2307 ?        ?        490.8100 10.77757 0.000000       10.77757 
1 1 1 -10 8  26 o 72.38573 14.59967 160.5125       59.83813 11.31716       192.3790 176.4929       62.96127 66.40333 28.24269 75.97598 14.66127 -9.572655      31.82142 
1 1 1 -10 8  27 o 262.6608 7.556107 2030.244       116.2766 2620.208       276.7186 1903.739       128.1380 296.7110 15.96083 254.2035 8.607415 42.50748       18.13383 
1 1 1 -10 8  28 o 510.1721 8.389593 7659.381       251.0199 8945.540       641.4067 7426.763       272.7770 546.4641 20.04740 502.1709 9.262020 44.29321       22.08355 
1 1 1 -10 8  29 o 279.5667 6.722985 2297.282       110.2296 2210.238       285.6050 2312.518       119.4875 271.6816 18.02679 280.3424 7.273613 -8.660858      19.43889 
1 1 1 -10 8  30 o 255.7439 7.157326 1924.535       107.2456 1904.763       280.4406 1927.922       116.0680 251.7903 19.13442 255.8943 7.742857 -4.103943      20.64165 
1 1 1 -10 8  31 o 400.9315 7.681437 4728.063       180.6189 4501.424       425.3689 4777.914       199.4967 387.8621 18.75543 402.9123 8.442569 -15.05014      20.56801 
1 1 1 -10 8  32 o 359.3606 7.494609 3798.239       157.9537 3606.909       380.7683 3838.007       173.5947 346.9851 18.78111 361.1311 8.196362 -14.14594      20.49171 
1 1 1 -10 8  33 o 208.6629 8.100203 1283.547       98.93861 1230.751       261.9106 1292.336       106.8562 200.7421 22.64116 209.2888 8.724822 -8.546722      24.26406 
1 1 1 -10 8  34 o 360.8588 7.480209 3832.418       158.3075 3986.090       382.8482 3800.724       173.8680 364.4707 17.96611 359.2221 8.252889 5.248627       19.77097 
1 1 1 -10 8  35 f 213.7345 8.002378 1347.892       100.1329 1409.147       285.6620 1339.311       106.9165 213.8561 23.14455 212.9544 8.578225 0.9017639      24.68312 
1 1 1 -10 8  36 o 182.8012 8.484444 987.8596       90.71243 1060.713       126.1131 909.7581       130.5768 188.8267 11.44166 174.4868 12.85021 14.33987       17.20580 
1 1 1 -10 8  37 o 38.64199 17.39926 -37.98203      82.92007 -105.4185      118.0049 27.79285       116.5421 41.77216 19.50709 53.79673 22.37385 -12.02457      29.68359 
1 1 1 -10 8  38 o 197.9809 9.071938 1161.585       105.0553 1340.719       151.9812 997.6741       145.3799 211.8303 12.28624 182.1976 13.70587 29.63261       18.40660 
1 1 1 -10 8  39 o 32.76720 15.68432 -113.5836      85.68359 -284.6221      127.5724 26.98560       115.6525 34.21835 16.95126 53.10589 22.20278 -18.88754      27.93401 
1 1 1 -10 8  40 o 239.1002 7.839477 1693.895       109.7817 1832.854       158.8365 1566.798       151.9050 247.5160 10.96924 228.6436 11.36385 18.87242       15.79435 
1 1 1 -10 8  41 o 223.1018 8.110596 1478.894       105.9456 1504.186       148.8754 1452.942       150.8026 223.5957 11.39048 219.5645 11.75390 4.031174       16.36757 
1 1 1 -10 8  42 o 147.8613 11.05081 660.4948       95.13636 488.7578       134.8841 830.5063       134.2048 123.3628 19.27355 164.4743 14.04729 -41.11154      23.84945 
1 1 1 -10 8  43 o 117.4059 13.68921 426.1883       92.49174 507.6646       130.2795 343.3889       131.3330 125.9730 18.15751 100.8452 22.74915 25.12775       29.10703 
1 1 1 -10 8  44 o 49.60587 20.00529 48.40769       89.63171 -46.58007      122.7119 157.0464       131.2336 45.70248 20.81173 69.83472 25.12317 -24.13224      32.62363 
1 1 1 -10 8  45 o 174.6278 10.09802 922.5015       102.9779 925.0338       140.6128 919.5724       151.2318 172.4560 14.02352 171.0774 15.23212 1.378616       20.70451 
1 1 1 -10 8  46 o 61.58740 22.14595 120.0024       101.9594 225.3665       140.6393 3.274829       148.0291 78.98195 26.11264 53.50375 23.72468 25.47820       35.28074 
1 1 1 -10 8  47 o 67.72012 22.73446 157.8790       106.5250 114.2890       151.3532 200.6672       149.9547 64.14336 25.95031 74.71263 26.85825 -10.56927      37.34681 
1 1 1 -10 8  48 o 45.75504 20.30464 -5.085417      108.6380 -31.68391      152.9228 22.01607       154.3620 50.82745 23.17916 55.20278 24.36419 -4.375324      33.62867 
1 1 1 -10 8  49 o 46.61172 20.77265 -5.156907      114.9339 111.8835       167.8851 -108.3968      157.6769 64.19682 26.78864 46.31991 21.91438 17.87691       34.61027 
1 1 1 -10 8  50 o 69.80206 24.43100 176.8916       123.3519 137.2105       181.6896 210.8203       168.0049 67.12002 27.92721 74.50042 28.13436 -7.380402      39.64179 
1 1 1 -10 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 9  2  o 666.0771 16.03348 13046.59       626.3294 12676.82       862.6785 13458.76       910.8068 655.2994 22.48031 675.1180 23.03736 -19.81866      32.18827 
1 1 1 -10 9  3  o 763.8784 18.05831 17171.07       809.0062 17676.72       1166.433 16702.36       1123.017 773.2213 25.75800 751.6439 25.51253 21.57739       36.25415 
1 1 1 -10 9  4  o 1018.514 23.52741 30597.14       1405.374 30077.53       1957.728 31149.61       2018.670 1006.408 33.21415 1024.033 33.65822 -17.62555      47.28695 
1 1 1 -10 9  5  o 465.1775 10.13538 6352.105       276.5089 6034.905       445.4488 6550.948       352.6833 452.6861 16.80757 472.0855 12.75004 -19.39938      21.09639 
1 1 1 -10 9  6  o 277.4116 8.186174 2260.159       133.0396 2294.717       207.0400 2235.855       173.6312 279.2284 12.67588 275.7595 10.75674 3.468933       16.62484 
1 1 1 -10 9  7  o 312.7125 7.603168 2869.186       139.4409 2857.775       194.3070 2881.302       200.2246 311.8240 10.64058 313.0875 10.92111 -1.263458      15.24771 
1 1 1 -10 9  8  o 830.6470 13.85646 20270.88       675.0240 19767.67       936.6877 20814.58       973.6403 819.5170 19.48886 840.8971 19.74264 -21.38007      27.74144 
1 1 1 -10 9  9  o 159.9650 8.536157 753.0363       79.79254 725.0433       107.2851 787.6890       119.3667 156.6968 11.76004 163.2876 12.56110 -6.590805      17.20697 
1 1 1 -10 9  10 o 295.4790 7.642814 2563.425       132.3323 2503.502       185.6948 2625.259       188.6319 291.8127 10.86938 298.8403 10.78047 -7.027527      15.30888 
1 1 1 -10 9  11 o 571.7794 10.29471 9597.496       345.2178 9593.976       491.0914 9600.935       485.3820 571.1619 14.67278 571.3889 14.49613 -0.2269897     20.62591 
1 1 1 -10 9  12 o 312.7928 13.56396 2880.103       248.2334 2742.363       367.0530 2996.199       336.9818 304.4146 20.68233 318.5764 18.11069 -14.16177      27.49101 
1 1 1 -10 9  13 o 831.7558 19.59560 20374.39       955.8834 21280.27       1394.232 19570.91       1313.063 847.6741 28.08379 813.0226 27.57791 34.65143       39.36039 
1 1 1 -10 9  14 o 483.7445 12.80386 6880.145       362.9323 7358.344       528.2457 6452.594       499.4884 499.6465 18.05666 467.8182 18.24025 31.82825       25.66612 
1 1 1 -10 9  15 o 779.1182 18.47260 17876.89       844.0767 18330.75       1212.975 17450.76       1175.324 786.7831 26.32439 767.6962 26.14279 19.08691       37.10012 
1 1 1 -10 9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 9  17 o 523.8594 13.29728 8073.464       408.2036 8805.234       608.8069 7475.789       550.2050 546.1887 19.03491 503.2798 18.67318 42.90881       26.66487 
1 1 1 -10 9  18 o 236.8591 9.172483 1649.917       127.1762 2174.187       313.6496 1546.764       139.1261 270.6792 19.89687 229.2279 10.37571 41.45131       22.43971 
1 1 1 -10 9  19 o 121.7297 12.45873 440.3381       87.69156 423.9147       245.6742 442.7361       93.87548 117.5644 33.82075 121.9458 13.34365 -4.381462      36.35789 
1 1 1 -10 9  20 o 232.7838 6.894155 1592.048       94.01681 1448.175       277.3648 1610.725       99.93291 220.0515 21.77728 234.1204 7.286986 -14.06891      22.96411 
1 1 1 -10 9  21 o 388.2612 7.244366 4426.229       164.9586 4348.845       404.2923 4441.685       180.6827 383.1437 18.04284 388.8889 7.922102 -5.745270      19.70543 
1 1 1 -10 9  22 f 410.7978 7.394270 4956.257       178.1451 4670.559       412.1191 5021.908       197.5558 396.9273 17.74848 413.4407 8.147532 -16.51337      19.52923 
1 1 1 -10 9  23 o 333.5705 6.937002 3267.965       135.7094 3037.014       326.3237 3316.261       149.2259 319.7695 17.46680 335.9757 7.573311 -16.20624      19.03797 
1 1 1 -10 9  24 o 672.5566 10.52577 13318.15       415.1768 12869.55       903.6458 13438.18       467.4333 655.4329 23.54646 675.2278 11.80372 -19.79486      26.33939 
1 1 1 -10 9  25 f 127.5616 11.36947 483.3993       84.16666 0.000000       0.000000 483.3993       84.16666 ?        ?        127.5616 11.36947 0.000000       11.36947 
1 1 1 -10 9  26 o 69.78568 15.51900 149.9345       61.87329 41.79197       210.2933 160.1834       64.73885 71.72261 29.95935 72.14037 15.74475 -0.4177628     33.84464 
1 1 1 -10 9  27 o 192.6336 7.159122 1092.361       80.73949 1324.566       247.2699 1064.649       85.42152 209.4879 20.38364 190.1155 7.677031 19.37238       21.78141 
1 1 1 -10 9  28 o 285.3981 6.777493 2394.148       113.4412 2419.776       285.5240 2389.344       123.6167 284.6057 17.18609 284.9512 7.403276 -0.3455811     18.71283 
1 1 1 -10 9  29 o 327.5549 6.917727 3154.106       132.8918 3409.572       346.4156 3110.023       143.9015 337.8425 17.54377 325.1808 7.545533 12.66177       19.09762 
1 1 1 -10 9  30 o 341.8215 7.259107 3435.620       145.5235 3693.932       376.1542 3390.153       157.8118 351.4265 18.31395 339.4632 7.926768 11.96338       19.95581 
1 1 1 -10 9  31 o 331.5698 7.366462 3232.871       143.2466 3770.507       382.7794 3145.315       154.4710 355.0162 18.44770 326.9593 8.055689 28.05692       20.12987 
1 1 1 -10 9  32 o 193.6420 8.320620 1105.728       94.27382 1312.781       276.8517 1078.570       100.2660 207.4030 23.15506 191.1580 8.968572 16.24495       24.83127 
1 1 1 -10 9  33 o 40.96637 17.42392 1.925399       73.22182 151.8607       239.3500 -13.55535      76.90903 84.73141 33.16415 39.94868 17.42649 44.78272       37.46389 
1 1 1 -10 9  34 f 309.5561 7.419296 2820.426       134.6953 2623.561       344.3959 2855.977       146.3530 294.5023 20.05944 311.3013 8.022918 -16.79898      21.60436 
1 1 1 -10 9  35 o 161.4829 9.435943 772.5346       88.97458 391.2426       274.2271 817.3965       94.06332 110.6135 36.45841 166.0737 9.699818 -55.46015      37.72668 
1 1 1 -10 9  36 o 49.38574 21.46024 -11.38467      115.6894 0.000000       0.000000 -11.38467      115.6894 ?        ?        49.38574 21.46024 0.000000       21.46024 
1 1 1 -10 9  37 o 33.82085 15.97447 -91.50328      83.13828 35.63673       118.3152 -215.5117      116.8490 55.02174 22.68155 34.97699 17.10674 20.04475       28.40939 
1 1 1 -10 9  38 o 102.0723 15.82425 320.5186       91.66431 365.6765       133.9295 280.7239       125.7250 107.1448 22.04918 93.42077 23.08278 13.72398       31.92148 
1 1 1 -10 9  39 o 104.3055 14.52471 333.5161       86.44470 337.0509       126.2533 330.3966       118.6071 102.4122 21.69599 101.7694 20.58018 0.6427994      29.90418 
1 1 1 -10 9  40 o 215.0806 8.105348 1372.693       102.0577 1318.516       143.4664 1428.196       145.2121 209.4415 11.72667 218.1521 11.38937 -8.710617      16.34725 
1 1 1 -10 9  41 o 152.3622 10.56261 698.0720       93.79989 780.3410       137.0580 625.5902       128.6472 159.2684 14.84412 142.0733 15.70131 17.19505       21.60738 
1 1 1 -10 9  42 o 39.87908 17.86290 -26.97889      86.14303 46.08660       121.2030 -101.5629      122.4560 55.07890 22.85426 42.01488 19.70152 13.06402       30.17395 
1 1 1 -10 9  43 o 99.45528 16.11957 313.8932       90.80676 232.9565       125.6209 402.4687       131.4152 82.34938 24.32680 110.2020 21.10140 -27.85257      32.20345 
1 1 1 -10 9  44 o 64.33969 21.27744 134.7667       93.37595 132.3479       125.9172 137.7221       139.1844 65.84528 24.46082 67.53674 25.58446 -1.691467      35.39627 
1 1 1 -10 9  45 o 107.9210 16.41304 374.0209       100.6144 507.9146       140.3440 232.4336       144.3198 123.6543 20.03752 80.54638 26.44382 43.10796       33.17797 
1 1 1 -10 9  46 o 59.19828 22.16924 104.6408       103.8408 109.3529       147.8842 100.0579       145.8433 63.74309 25.70012 62.51652 25.40715 1.226574       36.13889 
1 1 1 -10 9  47 o 260.7607 8.923585 2050.110       136.2673 2152.210       193.5375 1949.736       191.8951 263.6883 12.55082 250.3495 13.11548 13.33879       18.15321 
1 1 1 -10 9  48 o 110.4774 18.38732 407.9854       114.9502 445.8265       164.4464 371.8286       160.7451 109.0872 26.06167 98.40678 27.02828 10.68046       37.54649 
1 1 1 -10 9  49 o 54.78145 22.77392 65.49333       120.6754 -5.958621      172.5450 133.9072       168.8369 54.85142 24.85973 66.37643 27.19960 -11.52502      36.84867 
1 1 1 -10 9  50 o 51.60941 22.55228 27.23483       129.2912 -43.07220      192.9846 84.49007       174.1529 54.54636 25.29362 61.67012 26.56320 -7.123768      36.67929 
1 1 1 -10 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 10 3  o 943.3035 17.93751 26176.84       992.3482 24381.47       1613.290 27269.59       1258.618 907.1793 30.36556 961.9487 22.30959 -54.76947      37.68003 
1 1 1 -10 10 4  f 398.7970 10.93309 4672.618       255.4674 4803.403       361.5503 4542.215       361.0212 403.9770 15.28783 392.7832 15.70383 11.19385       21.91639 
1 1 1 -10 10 5  o 707.8984 13.88746 14722.62       576.5598 14397.43       969.2077 14900.72       717.2780 698.3799 23.69759 711.8102 17.18196 -13.43030      29.27107 
1 1 1 -10 10 6  o 1046.336 19.73832 32226.99       1211.245 33776.79       2168.663 31524.35       1460.229 1066.413 34.72125 1033.906 24.08183 32.50696       42.25518 
1 1 1 -10 10 7  o 324.8965 8.539247 3099.711       162.5693 2928.479       249.5740 3225.914       214.2606 315.4456 13.52178 331.2957 11.04291 -15.85001      17.45808 
1 1 1 -10 10 8  o 1064.199 17.38073 33309.91       1084.779 33306.27       1534.129 33313.54       1534.089 1062.535 24.61887 1062.652 24.61552 -0.1169434     34.81398 
1 1 1 -10 10 9  o 581.4025 10.43190 9923.291       355.7058 9580.162       491.7617 10299.82       515.1403 570.7623 14.70316 591.8084 14.85379 -21.04608      20.90019 
1 1 1 -10 10 10 o 805.3725 13.55399 19056.78       640.1982 19091.98       908.3184 19022.04       902.4641 805.3322 19.23147 803.8700 19.14228 1.462219       27.13441 
1 1 1 -10 10 11 o 586.8007 10.63879 10109.60       366.1283 10137.41       522.1288 10082.69       513.5450 587.0408 15.17831 585.4786 14.96833 1.562195       21.31741 
1 1 1 -10 10 12 o 1324.357 21.43395 51696.87       1664.784 51488.70       2348.150 51907.25       2360.618 1318.284 30.37151 1323.614 30.40982 -5.330200      42.97890 
1 1 1 -10 10 13 o 594.1238 14.76116 10377.35       514.3372 10507.18       729.6619 10249.12       725.1246 596.7064 20.88240 589.3005 21.01460 7.405884       29.62580 
1 1 1 -10 10 14 o 884.8397 20.71406 23081.61       1074.930 23892.25       1558.795 22346.60       1484.302 897.2669 29.66294 867.8864 29.20302 29.38049       41.62579 
1 1 1 -10 10 15 o 552.7263 13.91162 8987.351       450.6019 9652.115       664.7290 8422.183       612.9145 571.8834 19.84931 534.2040 19.59652 37.67938       27.89299 
1 1 1 -10 10 16 o 660.0097 11.43962 12797.73       442.8051 13502.40       654.7303 12203.70       601.1383 677.2567 16.48385 643.9471 15.91746 33.30957       22.91468 
1 1 1 -10 10 17 o 147.4543 10.27726 641.7484       88.31981 0.000000       0.000000 641.7484       88.31981 ?        ?        147.4543 10.27726 0.000000       10.27726 
1 1 1 -10 10 18 f 181.5989 8.059332 970.0992       85.62087 547.3821       286.1597 1011.664       89.73163 132.8266 35.89041 185.4408 8.271497 -52.61418      36.83122 
1 1 1 -10 10 19 o 556.6196 9.263936 9101.471       302.4159 8721.104       669.6040 9198.935       338.9540 542.4502 21.08802 559.4706 10.33030 -17.02045      23.48233 
1 1 1 -10 10 20 o 88.84682 12.25875 236.6378       62.17565 372.4428       240.1436 226.8800       64.37060 110.8753 33.83852 86.83593 13.04237 24.03938       36.26498 
1 1 1 -10 10 21 o 456.7417 7.920734 6127.620       212.1713 5789.440       484.0528 6208.044       236.0560 441.8760 18.72091 459.6436 8.756759 -17.76755      20.66769 
1 1 1 -10 10 22 o 42.52731 16.67956 31.26162       60.64779 314.6497       218.5540 7.619100       63.12698 102.4664 32.44604 39.15556 16.38928 63.31088       36.35044 
1 1 1 -10 10 23 o 515.1811 8.535744 7802.597       257.9003 7369.813       579.0273 7909.702       288.0504 497.5344 19.88388 518.5534 9.471623 -21.01901      22.02454 
1 1 1 -10 10 24 o 158.4073 7.785892 739.3084       72.11101 556.5328       235.0343 758.3015       75.76511 132.8401 30.77297 160.4053 8.079803 -27.56523      31.81602 
1 1 1 -10 10 25 o 231.6076 6.757970 1577.371       91.69696 1720.195       284.9911 1560.877       96.84695 239.2484 20.50867 230.3515 7.177525 8.896912       21.72838 
1 1 1 -10 10 26 o 319.3895 6.741719 2997.695       126.2821 3243.145       337.7306 2957.801       136.1586 329.7476 17.52673 317.1967 7.319235 12.55090       18.99362 
1 1 1 -10 10 27 o 176.2581 10.03315 918.4984       103.2855 0.000000       0.000000 918.4984       103.2855 ?        ?        176.2581 10.03315 0.000000       10.03315 
1 1 1 -10 10 28 o 393.5317 7.510693 4554.614       173.3445 4686.698       427.1277 4528.570       189.6662 395.8888 18.44717 392.2875 8.243945 3.601318       20.20547 
1 1 1 -10 10 29 o 349.3485 7.127957 3588.295       146.0409 4271.637       389.7126 3476.656       157.5193 378.2288 17.61709 343.7796 7.812738 34.44919       19.27176 
1 1 1 -10 10 30 o 158.3530 11.20974 743.7147       103.4323 1061.737       269.0266 688.5519       112.0442 185.6834 25.36678 152.0907 12.67651 33.59276       28.35785 
1 1 1 -10 10 31 o 223.2276 7.981758 1467.981       104.3272 1357.457       309.9687 1482.100       110.7910 210.1447 25.68376 224.2393 8.439525 -14.09465      27.03481 
1 1 1 -10 10 32 o 331.1334 7.393951 3225.242       143.5919 3146.776       370.5955 3239.103       155.7590 323.5367 19.62334 331.7564 8.005404 -8.219635      21.19344 
1 1 1 -10 10 33 o 151.5407 9.617443 679.9994       85.03407 634.6089       284.7794 684.4425       89.09880 139.2699 34.93121 151.9690 10.05343 -12.69911      36.34915 
1 1 1 -10 10 34 o 419.0047 7.955227 5171.500       195.4888 5988.392       511.1179 5031.523       211.5756 445.4296 19.61362 413.1047 8.732830 32.32489       21.46989 
1 1 1 -10 10 35 o 340.6336 8.722813 3425.500       174.1154 3828.638       403.9314 3333.501       192.9625 355.4857 19.44879 335.7260 9.810782 19.75977       21.78318 
1 1 1 -10 10 36 o 55.37180 19.46971 83.13098       78.39957 -172.3706      262.9928 108.0512       82.13396 64.07473 29.64748 60.68721 19.95039 3.387524       35.73501 
1 1 1 -10 10 37 o 41.45428 17.77630 -0.7828817     77.33902 8.109698       107.4285 -10.35009      111.4290 49.59113 21.09906 48.43528 21.05417 1.155853       29.80685 
1 1 1 -10 10 38 o 274.0249 7.645663 2218.256       122.7527 2462.708       180.0794 2006.079       167.7705 287.7421 10.68971 259.5332 11.04757 28.20883       15.37266 
1 1 1 -10 10 39 o 118.3685 12.55843 424.2610       85.85233 332.4015       126.2338 503.3168       117.1064 101.4378 21.86394 127.8775 15.96135 -26.43974      27.07022 
1 1 1 -10 10 40 o 110.4753 13.61522 374.1064       86.35043 290.7437       123.1697 454.6815       121.0927 93.86881 22.63791 120.2998 17.69131 -26.43095      28.73077 
1 1 1 -10 10 41 o 93.98356 16.33420 278.9891       86.76667 137.0642       124.2477 414.0845       121.2215 67.76184 24.43660 113.7840 18.82308 -46.02213      30.84567 
1 1 1 -10 10 42 o 112.4445 13.61457 390.3194       87.95634 460.3202       127.5782 326.9052       121.4277 119.7389 18.78484 99.23191 21.48827 20.50698       28.54148 
1 1 1 -10 10 43 o 65.25086 21.07767 138.1907       91.88361 208.1995       128.3121 64.50581       131.6378 78.01532 24.87940 58.22609 23.95542 19.78923       34.53762 
1 1 1 -10 10 44 o 76.06755 20.47887 195.4243       93.37286 150.5102       132.7818 239.3607       131.3286 68.74787 25.19232 82.38277 25.00003 -13.63490      35.49162 
1 1 1 -10 10 45 o 109.6303 15.88554 384.2892       99.16453 393.3339       142.8545 375.8776       137.7637 105.9874 23.58941 103.8095 23.21132 2.177917       33.09419 
1 1 1 -10 10 46 o 89.89375 20.33636 276.4108       104.6987 416.0369       148.6674 139.0199       147.4726 108.0006 24.08517 67.02518 26.09007 40.97543       35.50757 
1 1 1 -10 10 47 o 106.7180 18.55449 380.4172       111.9145 477.2738       160.0509 287.7525       156.5491 114.9139 24.49739 86.62910 27.46406 28.28482       36.80214 
1 1 1 -10 10 48 o 103.5028 19.31664 364.1880       112.9442 327.8290       166.5143 395.1693       153.7077 91.02239 28.24957 102.6812 25.61128 -11.65884      38.13104 
1 1 1 -10 10 49 o 61.48504 24.16914 115.4223       127.5867 61.83232       178.9360 170.8461       181.9719 60.59625 26.50404 70.70393 28.50792 -10.10769      38.92513 
1 1 1 -10 11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 3  o 574.1135 14.12791 9684.119       475.6925 9658.429       667.5143 9710.628       678.0715 572.4615 19.91249 573.9700 20.17492 -1.508484      28.34669 
1 1 1 -10 11 4  o 529.5961 13.27840 8243.800       412.0961 8039.128       568.1931 8470.946       598.5771 522.3885 18.57563 536.1872 19.06536 -13.79865      26.61845 
1 1 1 -10 11 5  o 441.1654 9.901234 5712.708       256.1777 5667.624       417.8331 5739.864       324.2766 438.7633 16.26576 441.9084 12.52481 -3.145111      20.52915 
1 1 1 -10 11 6  o 146.3635 9.163044 631.1642       78.25979 593.5585       104.2967 679.6199       118.3903 141.5942 12.69412 151.5076 13.46396 -9.913452      18.50457 
1 1 1 -10 11 7  o 1122.853 21.08833 37137.52       1388.723 37101.85       2394.424 37155.60       1704.730 1116.722 36.60941 1121.849 25.91021 -5.126465      44.85072 
1 1 1 -10 11 8  f 554.4730 11.50541 9027.645       374.1391 8926.027       623.6086 9084.792       467.6556 550.3210 19.35182 555.8297 14.35812 -5.508667      24.09665 
1 1 1 -10 11 9  o 891.6936 14.84370 23370.30       776.2621 22964.29       1083.905 23797.82       1112.244 882.8984 20.93294 898.7451 21.10148 -15.84668      29.72306 
1 1 1 -10 11 10 o 215.8562 8.570119 1369.556       108.2774 1378.332       149.3857 1359.842       157.1651 216.3176 11.82007 214.7973 12.53045 1.520248       17.22574 
1 1 1 -10 11 11 o 279.5079 8.688474 2295.073       142.2527 2312.392       200.4526 2277.501       201.9066 280.3141 12.22254 278.1721 12.40740 2.142059       17.41648 
1 1 1 -10 11 12 o 904.8701 15.08825 24074.51       800.7108 24165.51       1139.827 23985.85       1125.069 905.3379 21.46731 902.0115 21.26752 3.326416       30.21842 
1 1 1 -10 11 13 o 238.5383 12.36640 1676.178       172.4117 1676.178       172.4117 0.000000       0.000000 238.5383 12.36640 ?        ?        0.000000       12.36640 
1 1 1 -10 11 14 o 551.6044 10.13258 8934.408       327.7921 8999.699       470.6361 8872.897       456.8090 553.0319 14.52314 549.1619 14.19541 3.869934       20.30841 
1 1 1 -10 11 15 o 586.4668 12.23274 10107.04       420.7438 0.000000       0.000000 10107.04       420.7438 ?        ?        586.4668 12.23274 0.000000       12.23274 
1 1 1 -10 11 16 o 272.4858 8.610253 2181.950       137.4247 0.000000       0.000000 2181.950       137.4247 ?        ?        272.4858 8.610253 0.000000       8.610253 
1 1 1 -10 11 17 o 293.4518 8.372613 2530.385       143.9475 0.000000       0.000000 2530.385       143.9475 ?        ?        293.4518 8.372613 0.000000       8.372613 
1 1 1 -10 11 18 o 855.8228 14.80395 21572.20       743.0396 21300.65       1440.326 21670.67       867.3690 844.6541 29.11933 857.1012 17.25525 -12.44714      33.84789 
1 1 1 -10 11 19 f 537.3515 8.915699 8482.366       280.9729 8674.383       661.7492 8440.137       310.3352 540.8321 20.90253 535.9034 9.874019 4.928650       23.11735 
1 1 1 -10 11 20 o 294.2918 6.647521 2542.534       114.7330 2358.722       328.2587 2568.115       122.4565 281.4893 20.01455 295.7472 7.060096 -14.25790      21.22327 
1 1 1 -10 11 21 o 272.3445 6.616843 2177.763       105.6866 2120.203       296.6763 2186.130       113.1068 266.8223 19.08480 272.7508 7.076838 -5.928497      20.35464 
1 1 1 -10 11 22 o 197.0606 6.968441 1141.974       80.40849 1137.420       263.7348 1142.440       84.42815 193.8015 23.69614 197.0722 7.317560 -3.270630      24.80027 
1 1 1 -10 11 23 o 125.8292 9.419048 468.3861       69.00426 503.0728       270.3622 465.9691       71.36791 126.1780 35.20596 125.4596 9.776611 0.7183533      36.53823 
1 1 1 -10 11 24 f 429.0652 7.761338 5411.645       195.3037 5359.909       463.1098 5422.837       215.3946 424.1468 18.66302 429.3962 8.553149 -5.249390      20.52960 
1 1 1 -10 11 25 o 258.9222 6.708555 1971.154       101.7848 2037.433       294.7885 1962.182       108.4548 260.7205 19.41846 258.2832 7.166748 2.437286       20.69877 
1 1 1 -10 11 26 o 103.7928 11.30363 321.5533       67.69709 257.4402       232.4930 327.4928       70.76337 95.59240 33.53461 104.6888 11.72674 -9.096367      35.52585 
1 1 1 -10 11 27 o 390.6841 9.662376 4497.255       221.3911 0.000000       0.000000 4497.255       221.3911 ?        ?        390.6841 9.662376 0.000000       9.662376 
1 1 1 -10 11 28 o 434.1777 10.08436 5557.285       256.7831 0.000000       0.000000 5557.285       256.7831 ?        ?        434.1777 10.08436 0.000000       10.08436 
1 1 1 -10 11 29 o 122.5367 10.65774 446.1851       75.83054 355.5718       268.3192 454.0507       79.05323 108.2846 36.07681 123.5636 11.02451 -15.27898      37.72368 
1 1 1 -10 11 30 o 316.9256 7.443480 2953.774       138.3515 3146.772       394.8207 2926.759       147.7176 323.3106 20.93489 315.3036 7.994722 8.007050       22.40949 
1 1 1 -10 11 31 o 310.8340 8.809167 2847.265       160.4263 3804.320       414.3846 2678.531       173.9945 355.8871 19.93333 301.2859 9.860336 54.60126       22.23879 
1 1 1 -10 11 32 o 250.4782 7.479107 1847.437       109.7447 1903.630       328.9160 1840.398       116.4159 250.1064 22.66979 249.9323 7.952294 0.1741028      24.02412 
1 1 1 -10 11 33 o 267.5807 7.921984 2110.003       124.1826 0.000000       0.000000 2110.003       124.1826 ?        ?        267.5807 7.921984 0.000000       7.921984 
1 1 1 -10 11 34 f 248.4157 7.555941 1819.029       109.9545 1928.452       323.3292 1804.720       116.9231 250.9572 22.19685 247.3452 8.071012 3.611938       23.61867 
1 1 1 -10 11 35 o 192.8534 8.671628 1099.634       97.82867 911.3443       287.7265 1124.246       104.0262 167.9291 30.33078 194.9189 9.125266 -26.98981      31.67376 
1 1 1 -10 11 36 o 120.9188 12.02832 438.4742       84.17011 429.9539       265.8209 439.4237       88.73602 113.8887 35.74595 120.8975 12.70465 -7.008797      37.93654 
1 1 1 -10 11 37 o 230.8317 8.309996 1575.573       112.3149 2396.672       340.2062 1475.133       118.9862 278.9732 20.94654 223.1545 9.110757 55.81873       22.84214 
1 1 1 -10 11 38 o 108.9274 14.11294 361.7249       88.04100 346.6992       129.1068 374.7856       120.3694 104.0655 21.85082 109.1375 19.52254 -5.071953      29.30167 
1 1 1 -10 11 39 o 58.33596 19.66225 100.8307       79.67607 135.7791       115.6871 69.29491       109.8940 67.71330 23.66261 57.10574 22.43592 10.60756       32.60812 
1 1 1 -10 11 40 o 335.2333 7.245420 3326.321       142.4496 3402.442       202.6588 3251.984       200.2709 337.3338 10.25557 329.7131 10.36982 7.620697       14.58458 
1 1 1 -10 11 41 o 227.5534 7.995785 1539.771       106.5417 1494.671       148.9388 1587.035       152.4685 222.5782 11.44818 229.4131 11.36753 -6.834854      16.13324 
1 1 1 -10 11 42 o 55.14777 20.48377 82.50237       88.29434 81.73806       125.8481 83.24332       123.9085 59.86055 23.85316 59.80566 23.72142 0.5489349E-01  33.64044 
1 1 1 -10 11 43 o 94.12868 17.64839 287.1828       93.84822 271.6048       133.0031 302.6294       132.4415 88.09469 24.73407 93.32527 24.04806 -5.230583      34.49759 
1 1 1 -10 11 44 o 67.48923 21.18984 152.1973       93.40158 174.0481       135.4116 132.3664       129.0010 72.11607 25.56702 65.87251 24.70102 6.243553       35.55014 
1 1 1 -10 11 45 o 139.7304 12.53428 603.5299       101.6265 540.3859       143.8615 666.4288       143.5820 127.4173 19.90199 143.6235 17.40048 -16.20623      26.43608 
1 1 1 -10 11 46 o 59.56962 22.25569 107.8497       104.5261 101.1031       155.4507 113.4174       141.2168 63.25312 26.02878 63.38116 25.26385 -0.1280327     36.27340 
1 1 1 -10 11 47 o 205.5260 10.31857 1287.470       123.9782 1266.359       183.3854 1305.241       168.2535 198.8097 15.85950 203.5706 14.18152 -4.760880      21.27532 
1 1 1 -10 11 48 o 51.72414 22.08129 39.91452       118.3677 106.6160       182.0449 -8.939421      155.7975 64.87354 27.52823 52.59855 23.75142 12.27498       36.35840 
1 1 1 -10 11 49 o 73.81695 25.08230 202.4051       129.6694 77.32192       183.7168 326.5757       183.0454 62.21471 27.03915 88.83601 29.80128 -26.62130      40.23967 
1 1 1 -10 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 12 2  o 723.2354 17.18374 15383.16       728.8661 14892.07       1001.743 15935.62       1062.482 710.2006 24.08538 734.5624 24.69792 -24.36182      34.49772 
1 1 1 -10 12 3  o 685.2055 16.39955 13804.53       659.0270 14463.09       961.1970 13220.31       905.3208 700.0002 23.44645 669.2807 23.09910 30.71948       32.91359 
1 1 1 -10 12 4  o 296.3669 9.459629 2580.539       164.2093 2543.304       222.3323 2625.229       243.5724 293.9735 12.92728 298.5933 13.94759 -4.619781      19.01710 
1 1 1 -10 12 5  o 331.6899 8.939319 3231.113       173.7365 3288.373       267.7379 3189.464       228.3395 334.2767 13.68588 329.3521 11.84070 4.924622       18.09711 
1 1 1 -10 12 6  f 197.1315 8.677309 1142.638       100.0752 1152.229       139.9124 1132.591       143.2002 197.7055 12.12497 195.9723 12.52499 1.733246       17.43245 
1 1 1 -10 12 7  o 176.9270 8.853655 920.9804       91.57674 844.2385       122.8349 1017.007       137.4045 169.0809 12.47515 185.6419 12.69688 -16.56097      17.80000 
1 1 1 -10 12 8  o 246.1772 8.680541 1780.767       125.1310 1755.601       180.4483 1804.078       173.6702 244.1463 12.64546 247.5563 11.99764 -3.409927      17.43132 
1 1 1 -10 12 9  o 589.3137 12.19759 10200.67       421.5712 10179.09       704.8262 10212.68       526.0396 587.4590 20.48893 589.1940 15.23611 -1.734985      25.53302 
1 1 1 -10 12 10 o 126.7244 12.04888 475.9332       88.47215 522.1735       119.5075 419.8598       131.6021 132.3374 15.70370 117.8228 19.74290 14.51465       25.22674 
1 1 1 -10 12 11 o 994.6938 16.43929 29107.03       959.0098 30124.01       1396.714 28199.93       1319.101 1010.207 23.57471 977.5661 23.00813 32.64117       32.94148 
1 1 1 -10 12 12 o 900.7284 15.03103 23858.16       794.0231 23698.58       1120.750 24018.97       1125.099 896.4313 21.31774 902.4853 21.25691 -6.053955      30.10485 
1 1 1 -10 12 13 o 632.5239 10.14068 11748.09       376.1790 12138.73       907.6370 11667.07       413.3529 640.4582 24.20769 630.2461 11.18305 10.21210       26.66595 
1 1 1 -10 12 14 o 624.1563 10.14893 11440.31       371.5047 11026.02       825.0554 11545.67       416.0709 610.4789 23.08581 626.9131 11.31643 -16.43427      25.71024 
1 1 1 -10 12 15 o 602.4272 12.45433 10667.84       440.0231 0.000000       0.000000 10667.84       440.0231 ?        ?        602.4272 12.45433 0.000000       12.45433 
1 1 1 -10 12 16 o 304.6017 8.725492 2726.578       155.7131 0.000000       0.000000 2726.578       155.7131 ?        ?        304.6017 8.725492 0.000000       8.725492 
1 1 1 -10 12 17 o 443.9372 10.20492 5790.978       265.6940 0.000000       0.000000 5790.978       265.6940 ?        ?        443.9372 10.20492 0.000000       10.20492 
1 1 1 -10 12 18 o 589.7451 9.693135 10219.90       335.2579 10105.65       752.7653 10248.17       374.4445 583.5321 22.03562 590.4110 10.81390 -6.878906      24.54606 
1 1 1 -10 12 19 o 386.7059 7.378757 4391.016       167.3457 4611.376       442.6284 4354.265       180.7626 394.3134 19.19793 385.0385 8.004865 9.274963       20.79996 
1 1 1 -10 12 20 o 230.9813 6.694901 1567.770       90.59686 1607.901       296.0143 1563.623       95.16341 231.5862 22.06082 230.6496 7.043295 0.9365692      23.15789 
1 1 1 -10 12 21 o 331.7770 7.886564 3234.205       153.4563 3270.132       374.6486 3226.963       168.2146 331.4378 19.35825 331.2253 8.666883 0.2125244      21.20983 
1 1 1 -10 12 22 o 329.7852 6.959487 3194.710       134.6043 3002.322       376.3070 3222.937       144.1411 317.0249 20.34686 331.1999 7.420736 -14.17499      21.65784 
1 1 1 -10 12 23 o 263.0163 6.698428 2033.426       103.2411 1927.457       307.4938 2046.890       109.6035 253.4119 20.87487 263.8483 7.089461 -10.43637      22.04588 
1 1 1 -10 12 24 o 227.7340 6.928806 1525.341       92.43393 1262.589       289.2990 1555.214       97.54706 203.4767 24.75129 229.9238 7.243055 -26.44710      25.78930 
1 1 1 -10 12 25 o 309.3513 6.975518 2812.688       126.5549 2165.977       335.7617 2919.779       136.6320 268.0515 21.53925 315.1410 7.392598 -47.08942      22.77257 
1 1 1 -10 12 26 o 195.1947 8.945012 1124.061       102.1277 1252.896       303.9399 1107.664       108.4322 201.7207 26.31832 193.6770 9.575874 8.043686       28.00628 
1 1 1 -10 12 27 o 257.6469 8.410241 1955.783       126.9117 2734.068       343.2691 1832.556       136.5897 301.7887 19.49899 249.2474 9.360722 52.54131       21.62946 
1 1 1 -10 12 28 o 174.2408 10.90284 899.2188       110.8557 0.000000       0.000000 899.2188       110.8557 ?        ?        174.2408 10.90284 0.000000       10.90284 
1 1 1 -10 12 29 o 258.3023 7.532953 1963.881       113.9934 1701.681       342.3137 1996.584       120.8936 235.8753 25.13180 260.3937 7.925526 -24.51840      26.35188 
1 1 1 -10 12 30 o 250.2400 9.218192 1846.898       135.0548 1950.661       363.8500 1830.318       145.4455 252.7576 24.86689 248.9891 9.980452 3.768494       26.79500 
1 1 1 -10 12 31 o 44.25649 18.22340 19.07747       76.26257 104.5162       296.9560 13.04458       78.90913 87.26512 35.94926 44.04002 18.37069 43.22510       40.37117 
1 1 1 -10 12 32 o 159.1861 12.80766 755.2903       118.5625 0.000000       0.000000 755.2903       118.5625 ?        ?        159.1861 12.80766 0.000000       12.80766 
1 1 1 -10 12 33 o 224.3896 7.876191 1484.611       103.4893 1155.706       335.4289 1519.213       108.7970 190.2703 31.13519 226.9428 8.187706 -36.67250      32.19376 
1 1 1 -10 12 34 o 133.1680 10.80447 528.1442       83.65858 283.4536       308.2678 547.5980       86.92059 101.5102 38.15884 135.5711 11.02728 -34.06093      39.72025 
1 1 1 -10 12 35 o 261.0205 7.625391 2009.602       116.6062 2138.494       347.9943 1993.300       123.7608 263.3771 22.75196 259.8550 8.130859 3.522125       24.16118 
1 1 1 -10 12 36 o 54.44523 19.46776 78.39673       78.66924 -215.3423      285.4939 102.5332       81.83755 64.98317 30.34483 59.49323 19.92613 5.489937       36.30233 
1 1 1 -10 12 37 o 168.9017 9.618009 847.6213       94.87917 954.8920       317.2620 837.0853       99.42952 168.4463 33.29555 167.7195 10.15596 0.7267761      34.81002 
1 1 1 -10 12 38 o 148.9242 9.685977 661.0074       84.13883 768.1551       116.4307 543.8909       121.7264 159.7584 12.52674 133.1583 15.90103 26.60016       20.24257 
1 1 1 -10 12 39 o 93.30974 14.95241 270.2630       79.06322 318.6727       111.8279 221.8803       111.7967 99.66318 19.83002 82.29254 22.51575 17.37064       30.00315 
1 1 1 -10 12 40 o 140.2174 10.66671 591.9335       87.05861 657.2385       123.7248 527.8909       122.5230 146.1787 14.62815 130.0682 16.42760 16.11049       21.99656 
1 1 1 -10 12 41 o 126.4229 12.37264 487.7363       90.56255 596.9238       128.2632 379.1882       127.8871 138.2008 16.12771 107.4149 21.05379 30.78590       26.52103 
1 1 1 -10 12 42 o 151.7777 10.84784 697.0765       95.92440 802.8775       136.5292 593.9348       134.8025 160.9813 14.62035 136.8958 17.16671 24.08548       22.54884 
1 1 1 -10 12 43 o 95.92372 17.89610 299.5629       96.97578 340.0905       141.4977 263.6655       133.1698 98.44871 24.58298 86.50532 24.90494 11.94339       34.99399 
1 1 1 -10 12 44 o 77.61952 20.65970 204.9370       95.69975 168.5178       142.5881 234.7899       129.0954 71.42775 26.11697 81.39325 24.80423 -9.965500      36.01869 
1 1 1 -10 12 45 o 66.77090 21.48117 151.0048       95.49895 165.6414       135.7435 136.6611       134.3787 70.14227 25.50751 66.11660 25.11747 4.025673       35.79834 
1 1 1 -10 12 46 o 81.24696 21.91475 232.7375       106.8031 69.31694       148.3693 408.4898       153.8654 59.09726 24.95393 105.6649 25.18674 -46.56761      35.45519 
1 1 1 -10 12 47 o 48.36209 21.27422 7.157152       116.7797 -126.7211      177.4977 109.3383       155.0682 48.64497 23.08370 63.49126 26.04768 -14.84628      34.80429 
1 1 1 -10 12 48 o 41.97655 19.76564 -89.13029      125.5130 25.73631       197.2476 -167.2862      162.7031 59.81490 26.89229 44.04641 21.21992 15.76849       34.25610 
1 1 1 -10 12 49 o 75.77329 25.82481 217.7935       137.4743 208.7037       208.2617 224.8130       183.0125 74.82927 30.37954 76.16159 29.21946 -1.332321      42.15084 
1 1 1 -10 13 1  o 588.3099 14.47548 10171.04       499.4473 9925.126       687.2742 10446.26       727.0535 580.2139 20.22816 595.1688 20.86161 -14.95490      29.05831 
1 1 1 -10 13 2  o 822.8731 19.31581 19932.11       932.1726 20487.18       1342.696 19415.64       1295.170 832.1608 27.54984 810.1477 27.29813 22.01312       38.78378 
1 1 1 -10 13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 13 4  o 431.1128 11.55327 5461.611       291.8467 5319.880       399.2794 5624.195       427.6463 425.0581 16.04570 436.9880 16.71731 -11.92990      23.17181 
1 1 1 -10 13 5  o 331.8151 10.03068 3234.991       194.9746 3210.999       268.1746 3261.893       283.9749 330.2820 13.87556 332.8283 14.58360 -2.546234      20.12989 
1 1 1 -10 13 6  o 533.9529 11.45291 8372.270       358.6487 8311.035       585.6896 8409.007       453.6501 531.0249 18.83608 534.7016 14.47968 -3.676697      23.75835 
1 1 1 -10 13 7  o 130.7570 10.78603 505.4061       81.97874 471.4241       105.1916 557.9698       130.8277 125.8178 14.52186 136.7318 16.65813 -10.91402      22.09927 
1 1 1 -10 13 8  o 504.1988 11.06107 7464.927       327.0766 7605.861       540.4026 7383.454       410.8804 508.0189 18.16715 501.0374 13.99653 6.981476       22.93356 
1 1 1 -10 13 9  o 317.7517 9.081059 2965.986       169.0555 2847.992       251.9261 3062.648       228.0188 310.9890 13.84739 322.6756 12.07036 -11.68652      18.36965 
1 1 1 -10 13 10 o 676.3682 13.57485 13445.03       538.4789 14480.22       963.2496 12974.47       649.4332 699.9728 23.49758 663.8380 16.69424 36.13483       28.82419 
1 1 1 -10 13 11 o 550.4240 9.383881 8894.127       302.9217 8411.657       717.6904 8998.711       334.1443 533.3033 23.00036 553.5875 10.29194 -20.28424      25.19802 
1 1 1 -10 13 12 o 417.3260 8.125266 5111.601       198.8674 4725.897       495.6809 5185.595       217.1064 399.6888 21.22214 420.3030 8.807642 -20.61426      22.97724 
1 1 1 -10 13 13 o 395.8654 9.401452 4601.113       218.2695 0.000000       0.000000 4601.113       218.2695 ?        ?        395.8654 9.401452 0.000000       9.401452 
1 1 1 -10 13 14 o 512.5292 10.96357 7717.489       329.5498 0.000000       0.000000 7717.489       329.5498 ?        ?        512.5292 10.96357 0.000000       10.96357 
1 1 1 -10 13 15 o 466.2177 8.467732 6381.797       231.5295 5694.172       530.3564 6543.700       257.3471 438.5461 20.67888 472.0337 9.295993 -33.48767      22.67226 
1 1 1 -10 13 16 o 669.1735 13.77699 13179.72       540.6840 0.000000       0.000000 13179.72       540.6840 ?        ?        669.1735 13.77699 0.000000       13.77699 
1 1 1 -10 13 17 o 377.6183 8.379984 4187.829       185.5866 5191.008       476.2194 4008.192       201.5191 418.5833 19.45198 369.2477 9.313107 49.33563       21.56649 
1 1 1 -10 13 18 o 433.7398 7.824046 5524.872       199.0266 5598.586       490.9583 5510.376       217.7185 434.5722 19.31160 433.1062 8.571373 1.465973       21.12833 
1 1 1 -10 13 19 o 598.7120 9.661841 10538.09       339.2567 10485.41       767.1963 10550.89       378.2484 593.6449 22.07427 598.8912 10.76908 -5.246338      24.56108 
1 1 1 -10 13 20 o 82.51965 14.97831 207.1765       69.81985 6.287532       295.8256 219.0269       71.84969 81.43949 34.84109 84.90432 14.97648 -3.464828      37.92356 
1 1 1 -10 13 21 o 416.1581 7.557347 5088.537       184.4499 5419.642       485.5173 5032.689       199.3996 426.7034 19.45234 413.7940 8.216553 12.90936       21.11647 
1 1 1 -10 13 22 o 279.2518 6.827697 2290.777       111.8203 2225.810       337.8949 2298.768       118.4971 272.3698 21.32286 279.6152 7.232042 -7.245392      22.51592 
1 1 1 -10 13 23 o 250.0361 6.827185 1838.185       100.0203 1433.667       329.5840 1879.219       104.9708 216.5047 26.50904 252.7875 7.087472 -36.28278      27.44014 
1 1 1 -10 13 24 o 422.8094 7.624077 5256.059       189.0525 5847.584       499.7412 5157.266       204.2304 442.4122 19.30698 418.7119 8.316767 23.70035       21.02209 
1 1 1 -10 13 25 o 81.84757 14.31501 204.0391       66.21348 -45.13998      260.9953 221.1799       68.45299 72.44328 31.83804 85.32407 14.17680 -12.88080      34.85172 
1 1 1 -10 13 26 o 193.0855 10.01130 1101.810       112.9809 0.000000       0.000000 1101.810       112.9809 ?        ?        193.0855 10.01130 0.000000       10.01130 
1 1 1 -10 13 27 o 423.9532 7.852789 5287.582       195.2506 5429.825       506.7795 5262.787       211.5847 425.2536 20.37916 422.8351 8.532235 2.418518       22.09319 
1 1 1 -10 13 28 o 68.62827 18.09461 145.4956       73.85295 189.1754       289.3805 142.4524       76.38231 93.53703 36.50798 68.00285 18.61294 25.53418       40.97895 
1 1 1 -10 13 29 o 435.8615 8.155298 5589.955       208.4678 5791.257       546.8204 5555.722       225.4979 438.7991 21.31225 434.3924 8.851355 4.406708       23.07723 
1 1 1 -10 13 30 o 373.2083 7.788101 4097.638       170.4643 4194.769       478.0765 4083.491       182.4569 372.8321 21.96147 372.4728 8.352477 0.3592834      23.49617 
1 1 1 -10 13 31 o 253.6801 7.801969 1895.570       115.9377 2434.364       373.7950 1838.220       121.9520 283.0707 22.70612 249.7297 8.338302 33.34103       24.18874 
1 1 1 -10 13 32 o 286.7960 7.637770 2422.755       128.3522 2197.144       381.2265 2451.599       136.3103 267.5528 24.56944 288.4253 8.066244 -20.87253      25.85965 
1 1 1 -10 13 33 o 60.12561 19.31380 106.8059       77.22056 253.0215       303.3608 96.67538       79.85088 98.80240 37.69020 58.34078 19.68383 40.46162       42.52064 
1 1 1 -10 13 34 o 190.9064 8.684076 1077.520       96.97411 868.7510       333.6062 1096.789       101.3505 161.0269 36.20688 192.5513 8.999787 -31.52438      37.30864 
1 1 1 -10 13 35 o 405.6161 8.013595 4852.188       190.6308 4726.920       488.2895 4874.713       207.0627 393.1249 21.25763 406.3530 8.688560 -13.22809      22.96471 
1 1 1 -10 13 36 o 168.1897 9.610409 839.8223       94.40177 657.9954       343.8919 854.6406       98.17316 136.7809 40.20872 169.6056 9.912870 -32.82466      41.41264 
1 1 1 -10 13 37 o 29.31074 14.24480 -130.6977      77.47607 133.7319       308.4988 -148.4981      80.04131 87.07839 36.32355 28.96312 14.16393 58.11527       38.98740 
1 1 1 -10 13 38 o 31.46143 14.95229 -88.96183      75.03463 -301.6849      287.2693 -73.38609      77.73315 60.16476 28.77684 33.53798 15.71704 26.62679       32.78920 
1 1 1 -10 13 39 o 133.0484 11.49952 534.5246       88.85054 486.3643       127.4866 580.0114       123.8975 124.3076 18.01118 136.9905 15.70494 -12.68294      23.89660 
1 1 1 -10 13 40 o 175.6353 9.088583 921.4960       93.29939 1112.569       134.1835 742.6601       129.8154 191.7662 11.99100 155.4395 14.40397 36.32664       18.74189 
1 1 1 -10 13 41 o 57.33081 20.15750 97.10708       84.03580 12.10100       115.9403 191.1981       121.9786 50.34575 21.67944 75.77013 24.26764 -25.42439      32.54100 
1 1 1 -10 13 42 o 150.9435 11.00859 690.9256       96.78327 634.4742       133.2678 753.9258       140.7859 141.8640 16.31443 155.1595 15.68664 -13.29552      22.63253 
1 1 1 -10 13 43 o 34.79571 16.55058 -99.73755      92.31344 -150.6149      134.1647 -53.99512      127.2142 40.88831 19.58618 45.86634 21.00168 -4.978039      28.71740 
1 1 1 -10 13 44 o 136.5086 12.32222 574.5731       97.58959 600.1834       137.9833 548.9411       138.0418 136.1627 17.69728 129.4445 18.72698 6.718201       25.76613 
1 1 1 -10 13 45 o 69.60064 21.96128 167.0365       100.2071 186.8311       143.6787 148.2887       139.8283 73.10838 26.28912 67.77471 25.65063 5.333664       36.72972 
1 1 1 -10 13 46 o 45.36839 20.05692 -3.116055      105.0235 -59.43964      150.3478 50.55754       146.7683 48.61983 22.46819 56.95730 24.45736 -8.337463      33.21117 
1 1 1 -10 13 47 o 58.34641 22.80725 98.16606       113.0768 75.08437       163.2244 119.4662       156.7986 60.64567 25.91099 64.47738 26.29174 -3.831711      36.91389 
1 1 1 -10 13 48 o 145.1496 15.32107 678.5741       128.4578 560.7275       192.0752 773.9393       172.7856 120.1293 27.81216 150.5543 20.06813 -30.42498      34.29644 
1 1 1 -10 13 49 o 96.80202 23.24701 344.4015       130.3134 342.1328       193.7180 346.2766       176.1186 89.36385 30.65053 91.40954 29.14768 -2.045685      42.29707 
1 1 1 -10 14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 2  o 696.8729 16.69837 14283.67       682.4613 14361.51       963.6184 14205.33       966.6810 697.3301 23.59621 693.4802 23.80361 3.849854       33.51706 
1 1 1 -10 14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 14 4  o 136.4064 11.20447 550.0453       88.84541 555.2144       111.4815 541.0475       147.0846 136.7297 14.10457 134.2150 19.23511 2.514709       23.85222 
1 1 1 -10 14 5  o 429.2581 10.37989 5409.809       261.3135 5570.588       413.8373 5303.195       336.9940 434.9085 16.25347 424.6122 13.54989 10.29636       21.16068 
1 1 1 -10 14 6  o 419.1151 10.25960 5157.160       252.1822 5248.429       394.6728 5094.187       327.8347 422.1467 15.97008 416.1525 13.45001 5.994232       20.87933 
1 1 1 -10 14 7  o 271.6373 12.45891 2172.194       197.9530 0.000000       0.000000 2172.194       197.9530 ?        ?        271.6373 12.45891 0.000000       12.45891 
1 1 1 -10 14 8  o 325.9551 8.173682 3120.042       156.1289 0.000000       0.000000 3120.042       156.1289 ?        ?        325.9551 8.173682 0.000000       8.173682 
1 1 1 -10 14 9  o 305.6346 7.994933 2743.287       143.1841 0.000000       0.000000 2743.287       143.1841 ?        ?        305.6346 7.994933 0.000000       7.994933 
1 1 1 -10 14 10 o 871.6757 15.05802 22347.28       769.7919 0.000000       0.000000 22347.28       769.7919 ?        ?        871.6757 15.05802 0.000000       15.05802 
1 1 1 -10 14 11 o 142.9117 10.04203 602.6809       83.63081 0.000000       0.000000 602.6809       83.63081 ?        ?        142.9117 10.04203 0.000000       10.04203 
1 1 1 -10 14 12 o 239.7320 7.541276 1688.356       105.8963 1526.758       366.8071 1703.049       110.6059 225.1306 28.41290 240.7561 7.843872 -15.62544      29.47574 
1 1 1 -10 14 13 o 454.2649 8.118911 6057.583       216.3005 6591.557       585.8979 5973.323       232.7416 471.9408 21.22249 451.0527 8.798248 20.88809       22.97397 
1 1 1 -10 14 14 f 84.87074 17.04170 219.8333       81.87511 0.000000       0.000000 219.8333       81.87511 ?        ?        84.87074 17.04170 0.000000       17.04170 
1 1 1 -10 14 15 o 361.7018 12.91963 3853.860       273.6234 4221.444       437.2120 3617.191       350.8200 377.4537 19.81994 349.7911 17.15345 27.66260       26.21204 
1 1 1 -10 14 16 f 147.4069 10.54809 641.9576       90.58624 0.000000       0.000000 641.9576       90.58624 ?        ?        147.4069 10.54809 0.000000       10.54809 
1 1 1 -10 14 17 o 70.90474 18.32217 154.1832       76.73441 0.000000       0.000000 154.1832       76.73441 ?        ?        70.90474 18.32217 0.000000       18.32217 
1 1 1 -10 14 18 o 389.9565 9.240725 4469.442       211.3356 0.000000       0.000000 4469.442       211.3356 ?        ?        389.9565 9.240725 0.000000       9.240725 
1 1 1 -10 14 19 o 311.2957 6.825127 2845.633       124.6047 3259.092       405.2713 2802.467       130.9477 330.5363 21.01508 308.8992 7.228204 21.63702       22.22342 
1 1 1 -10 14 20 o 865.9080 13.18797 22116.29       669.7310 20247.57       1394.733 22676.30       763.5161 818.8409 29.08918 876.1118 14.85964 -57.27094      32.66479 
1 1 1 -10 14 21 o 262.4668 6.813601 2024.946       104.7935 2028.650       349.7087 2024.581       109.8411 259.4444 23.22879 262.4118 7.143895 -2.967407      24.30251 
1 1 1 -10 14 22 o 65.07952 16.53426 130.3878       63.22339 107.4141       295.2574 131.4918       64.72467 88.14977 36.02767 65.36172 16.79530 22.78805       39.75016 
1 1 1 -10 14 23 o 199.8907 7.296194 1175.988       85.39063 975.5240       315.0091 1191.886       88.71214 176.1746 31.65133 201.2151 7.530762 -25.04054      32.53489 
1 1 1 -10 14 24 o 63.36603 17.51009 123.1261       67.23442 403.3463       299.2985 108.2338       68.99788 114.9288 38.09700 60.01674 18.10133 54.91203       42.17867 
1 1 1 -10 14 25 o 80.98293 15.59766 201.0581       71.39328 397.2780       307.7854 189.9002       73.39507 114.4680 38.64503 78.50974 16.46677 35.95825       42.00705 
1 1 1 -10 14 26 o 363.0136 9.399823 3884.619       199.9528 0.000000       0.000000 3884.619       199.9528 ?        ?        363.0136 9.399823 0.000000       9.399823 
1 1 1 -10 14 27 o 32.66286 15.16329 -60.44612      69.65739 -141.3756      302.4746 -55.91371      71.58138 72.51069 32.88370 33.70745 15.55060 38.80324       36.37525 
1 1 1 -10 14 28 o 124.6743 15.35983 468.0374       109.9372 0.000000       0.000000 468.0374       109.9372 ?        ?        124.6743 15.35983 0.000000       15.35983 
1 1 1 -10 14 29 o 365.6927 10.09732 3945.495       216.3500 0.000000       0.000000 3945.495       216.3500 ?        ?        365.6927 10.09732 0.000000       10.09732 
1 1 1 -10 14 30 o 66.55234 23.41297 119.4545       113.3828 0.000000       0.000000 119.4545       113.3828 ?        ?        66.55234 23.41297 0.000000       23.41297 
1 1 1 -10 14 31 o 278.2666 7.645191 2280.530       124.6488 2588.356       386.5385 2244.804       131.6836 291.6477 22.77929 275.9957 8.144309 15.65198       24.19145 
1 1 1 -10 14 32 o 191.1902 8.648758 1079.593       96.72615 1524.648       368.2142 1046.605       100.2468 220.0428 29.25702 188.1664 9.111092 31.87633       30.64287 
1 1 1 -10 14 33 o 167.5863 9.590002 832.1567       93.86224 685.2657       346.9289 843.7581       97.49840 141.7733 39.99707 168.6978 9.898058 -26.92448      41.20361 
1 1 1 -10 14 34 o 67.51527 19.47064 141.2986       81.32980 28.74337       325.7611 148.7806       83.98947 83.52390 36.15416 69.17345 19.73548 14.35046       41.18996 
1 1 1 -10 14 35 o 61.79944 19.82026 114.2349       81.34634 -188.0578      329.5109 133.8537       83.94454 72.01851 33.27456 65.98341 19.97991 6.035095       38.81228 
1 1 1 -10 14 36 o 112.0267 13.91744 380.9946       89.47325 385.8475       354.9955 380.6654       92.45811 110.4277 41.06214 111.8365 14.43265 -1.408859      43.52471 
1 1 1 -10 14 37 o 213.0570 8.610035 1345.733       107.3633 1408.399       361.8028 1339.682       112.4274 205.5664 30.97098 212.4577 9.043649 -6.891342      32.26437 
1 1 1 -10 14 38 o 102.6848 13.81883 323.4612       81.10954 101.9059       315.8897 339.0990       83.92317 83.37528 35.84211 105.1316 13.95562 -21.75635      38.46318 
1 1 1 -10 14 39 o 197.6800 8.135474 1161.624       94.11677 1271.468       127.3647 1029.493       139.6900 205.8801 10.58386 184.1265 13.01991 21.75352       16.77905 
1 1 1 -10 14 40 o 147.4405 10.65574 655.4069       91.51894 803.5463       128.3289 502.0846       130.5544 161.9771 13.63539 125.6067 18.25680 36.37048       22.78672 
1 1 1 -10 14 41 o 225.4366 8.270919 1515.079       109.1671 1494.307       149.9453 1538.508       159.2454 222.1697 11.54757 225.0910 12.10763 -2.921356      16.73145 
1 1 1 -10 14 42 o 59.71780 20.98111 109.4363       91.03138 148.1299       132.8970 75.23396       124.9462 68.73885 25.20093 58.39142 23.59431 10.34743       34.52214 
1 1 1 -10 14 43 o 175.1413 9.793032 925.9131       100.1897 975.8164       142.4772 877.0980       140.9150 177.3655 13.80567 167.6564 14.47290 9.709106       20.00153 
1 1 1 -10 14 44 o 37.68420 17.39373 -52.84892      89.71283 -7.984723      135.5872 -87.78528      119.6486 50.72264 22.58602 41.59123 19.49374 9.131405       29.83512 
1 1 1 -10 14 45 o 46.66659 20.07404 17.56314       99.20531 103.6160       144.5369 -59.08535      136.4105 62.52580 25.33627 46.52912 21.46619 15.99669       33.20729 
1 1 1 -10 14 46 o 62.28354 22.34870 127.3462       103.7728 31.05533       149.3633 217.1973       144.2823 55.40531 24.22474 76.66011 26.44604 -21.25480      35.86406 
1 1 1 -10 14 47 o 107.9725 18.50218 392.1288       112.9487 292.4105       165.0524 479.9547       154.8979 85.85755 28.28417 115.2079 23.71598 -29.35035      36.91127 
1 1 1 -10 14 48 o 51.40637 22.09288 36.27916       119.9567 -142.2713      183.6127 169.2368       158.4451 48.28959 23.07229 69.60999 27.05815 -21.32039      35.55945 
1 1 1 -10 15 1  o 772.2440 18.28703 17554.89       828.2246 17401.01       1157.953 17716.07       1185.092 766.9792 25.77949 773.8018 26.15147 -6.822510      36.72168 
1 1 1 -10 15 2  o 1059.759 24.47918 33161.71       1521.439 33979.72       2190.693 32399.54       2114.604 1068.363 35.01055 1043.381 34.60485 24.98254       49.22636 
1 1 1 -10 15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 4  o 832.9280 19.54276 20436.08       954.6495 19992.67       1324.156 20915.99       1377.586 821.5765 27.52035 840.2089 27.99546 -18.63245      39.25704 
1 1 1 -10 15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 6  o 190.6537 8.515781 1068.965       94.97799 0.000000       0.000000 1068.965       94.97799 ?        ?        190.6537 8.515781 0.000000       8.515781 
1 1 1 -10 15 7  o 570.6287 10.60557 9562.005       354.9261 0.000000       0.000000 9562.005       354.9261 ?        ?        570.6287 10.60557 0.000000       10.60557 
1 1 1 -10 15 8  o 496.8336 9.543969 7247.085       278.0933 0.000000       0.000000 7247.085       278.0933 ?        ?        496.8336 9.543969 0.000000       9.543969 
1 1 1 -10 15 9  o 396.8059 8.504109 4621.743       197.9053 0.000000       0.000000 4621.743       197.9053 ?        ?        396.8059 8.504109 0.000000       8.504109 
1 1 1 -10 15 10 f 566.1182 10.58344 9413.080       351.3862 0.000000       0.000000 9413.080       351.3862 ?        ?        566.1182 10.58344 0.000000       10.58344 
1 1 1 -10 15 11 o 226.2336 7.582837 1503.855       100.4674 0.000000       0.000000 1503.855       100.4674 ?        ?        226.2336 7.582837 0.000000       7.582837 
1 1 1 -10 15 12 o 249.6677 7.596778 1831.332       111.1058 0.000000       0.000000 1831.332       111.1058 ?        ?        249.6677 7.596778 0.000000       7.596778 
1 1 1 -10 15 13 o 620.1673 12.76824 11312.11       464.3980 0.000000       0.000000 11312.11       464.3980 ?        ?        620.1673 12.76824 0.000000       12.76824 
1 1 1 -10 15 14 o 317.4501 8.546896 2961.586       158.9787 0.000000       0.000000 2961.586       158.9787 ?        ?        317.4501 8.546896 0.000000       8.546896 
1 1 1 -10 15 15 o 211.3016 8.986737 1313.961       111.1124 0.000000       0.000000 1313.961       111.1124 ?        ?        211.3016 8.986737 0.000000       8.986737 
1 1 1 -10 15 16 o 362.4609 8.487776 3859.258       180.4287 4233.816       444.2921 3785.286       197.4429 377.5965 20.13554 358.7780 9.391585 18.81851       22.21805 
1 1 1 -10 15 17 o 420.3845 7.681946 5190.483       189.3950 6235.630       535.5882 5041.112       202.4772 458.2448 19.97688 414.2328 8.334531 44.01199       21.64579 
1 1 1 -10 15 18 o 124.0508 9.824982 455.3767       70.89621 0.000000       0.000000 455.3767       70.89621 ?        ?        124.0508 9.824982 0.000000       9.824982 
1 1 1 -10 15 19 o 202.8904 7.349212 1210.865       87.30411 0.000000       0.000000 1210.865       87.30411 ?        ?        202.8904 7.349212 0.000000       7.349212 
1 1 1 -10 15 20 f 95.17416 12.72976 271.8688       69.27404 167.5641       290.3196 278.1661       71.33456 92.70281 36.45294 96.24825 12.96694 -3.545441      38.69054 
1 1 1 -10 15 21 o 510.0033 8.551223 7649.604       255.7713 7683.776       622.8561 7642.673       280.5136 507.0161 20.99210 509.6197 9.385495 -2.603577      22.99469 
1 1 1 -10 15 22 o 222.2321 7.222667 1453.024       94.01077 1216.986       318.0808 1475.616       98.40707 198.5893 28.09418 223.9256 7.503880 -25.33632      29.07906 
1 1 1 -10 15 23 o 341.7061 7.198926 3432.385       144.2683 3093.556       410.2419 3480.201       154.1122 320.4453 21.96186 344.0248 7.638300 -23.57944      23.25224 
1 1 1 -10 15 24 o 225.0796 7.238686 1490.988       95.42919 847.2681       347.0277 1543.648       99.25580 161.5227 37.37527 229.0053 7.399977 -67.48260      38.10080 
1 1 1 -10 15 25 o 289.9520 7.229602 2472.005       122.9394 1508.185       385.7814 2580.949       129.7015 219.6416 30.79333 296.1515 7.473564 -76.50984      31.68727 
1 1 1 -10 15 26 o 123.4647 13.38806 456.3069       95.39214 0.000000       0.000000 456.3069       95.39214 ?        ?        123.4647 13.38806 0.000000       13.38806 
1 1 1 -10 15 27 o 334.0955 7.463473 3282.562       146.2386 4248.543       481.5671 3184.433       153.4868 375.3785 21.97049 328.9996 7.954727 46.37891       23.36622 
1 1 1 -10 15 28 o 352.2482 8.970798 3655.954       185.1727 4647.114       504.0610 3501.325       199.0936 392.6441 21.97709 344.5407 9.863101 48.10336       24.08886 
1 1 1 -10 15 29 o 311.5149 7.720840 2854.825       141.0567 2962.126       452.6765 2843.286       148.4478 311.7060 24.97108 310.7214 8.153185 0.9845276      26.26841 
1 1 1 -10 15 30 o 211.6394 8.310220 1320.839       102.9472 1240.729       382.0902 1327.109       106.9005 196.6173 34.38706 212.0982 8.611842 -15.48096      35.44903 
1 1 1 -10 15 31 o 143.1066 10.74870 608.3965       89.55315 796.5648       379.8828 597.3241       92.15027 153.6810 41.27734 141.7164 11.17774 11.96460       42.76402 
1 1 1 -10 15 32 o 200.3021 8.882607 1185.728       104.0866 0.000000       0.000000 1185.728       104.0866 ?        ?        200.3021 8.882607 0.000000       8.882607 
1 1 1 -10 15 33 o 163.9615 9.554990 796.8868       91.48222 864.1321       341.4273 791.6858       94.95417 160.1173 37.08815 163.3481 9.959058 -3.230820      38.40200 
1 1 1 -10 15 34 o 171.0244 9.357221 866.9354       93.49702 859.2407       381.3184 867.4276       96.44098 156.8948 40.99532 171.0145 9.654854 -14.11967      42.11689 
1 1 1 -10 15 35 o 90.47378 16.75891 253.9821       85.65003 146.5091       366.5624 260.1885       88.08840 93.96870 39.42369 91.52429 17.03769 2.444405       42.94776 
1 1 1 -10 15 36 o 136.5152 11.45093 558.4405       90.83543 84.55986       356.1806 591.4049       93.94170 88.14300 37.97729 140.4997 11.50130 -52.35670      39.68066 
1 1 1 -10 15 37 f 204.1297 8.518499 1236.417       101.7570 1371.422       353.9801 1224.256       106.2413 201.7678 30.89621 202.9992 8.945745 -1.231430      32.16523 
1 1 1 -10 15 38 o 101.5300 14.07685 317.6488       81.56844 -208.1422      320.1692 354.1446       84.35183 67.09505 31.58565 107.4248 13.70004 -40.32978      34.42883 
1 1 1 -10 15 39 o 80.84626 22.73381 217.4624       112.2706 18.15930       302.6861 249.2561       120.8944 75.27334 33.61707 86.23620 23.33932 -10.96286      40.92470 
1 1 1 -10 15 40 o 73.90509 19.21784 178.9153       84.06503 224.7662       115.6694 127.5845       122.3865 81.66869 23.11379 65.86600 24.17790 15.80269       33.44874 
1 1 1 -10 15 41 o 45.82817 19.29908 21.14841       88.36093 5.350002       119.2493 40.38335       131.5814 49.99094 21.75485 55.65191 23.49949 -5.660969      32.02342 
1 1 1 -10 15 42 o 142.7285 11.84876 623.3967       98.28878 627.0707       137.2360 619.5274       140.8366 140.1326 17.04897 138.8532 17.69608 1.279343       24.57272 
1 1 1 -10 15 43 o 35.44740 16.48598 -59.87359      82.92162 -84.26731      120.9604 -38.24598      113.8960 42.22848 19.72993 44.37460 20.14555 -2.146122      28.19775 
1 1 1 -10 15 44 o 110.0212 15.31002 386.4497       96.11504 414.4822       141.2202 362.2585       131.1879 108.9572 22.83174 101.8678 22.55461 7.089340       32.09360 
1 1 1 -10 15 45 o 48.66279 20.62285 31.58433       101.9473 -92.75324      148.5498 142.2830       140.1658 46.22699 21.68387 66.58988 25.56518 -20.36289      33.52266 
1 1 1 -10 15 46 o 53.90690 21.59556 72.20329       103.7099 8.755969       149.8598 130.5190       143.6717 53.46085 23.77883 64.99059 25.61679 -11.52974      34.95215 
1 1 1 -10 15 47 o 34.42028 16.85461 -183.4129      114.4498 -280.9674      177.7962 -114.3877      149.5555 41.68674 20.53109 44.65548 21.19010 -2.968739      29.50502 
1 1 1 -10 15 48 o 48.47430 21.20734 16.57088       114.6262 -62.65248      164.9080 90.62952       159.4421 49.87817 23.21485 61.09861 25.83709 -11.22044      34.73449 
1 1 1 -10 16 1  o 1072.734 35.42265 34309.58       2225.500 0.000000       0.000000 34309.58       2225.500 ?        ?        1072.734 35.42265 0.000000       35.42265 
1 1 1 -10 16 2  o 851.0632 17.03764 21317.07       850.3970 0.000000       0.000000 21317.07       850.3970 ?        ?        851.0632 17.03764 0.000000       17.03764 
1 1 1 -10 16 3  o 489.7146 10.85833 7042.994       311.8576 0.000000       0.000000 7042.994       311.8576 ?        ?        489.7146 10.85833 0.000000       10.85833 
1 1 1 -10 16 4  o 768.6536 15.41790 17378.56       695.0345 0.000000       0.000000 17378.56       695.0345 ?        ?        768.6536 15.41790 0.000000       15.41790 
1 1 1 -10 16 5  o 362.5636 8.884645 3858.694       188.9186 0.000000       0.000000 3858.694       188.9186 ?        ?        362.5636 8.884645 0.000000       8.884645 
1 1 1 -10 16 6  o 274.9021 7.600811 2219.453       122.4254 0.000000       0.000000 2219.453       122.4254 ?        ?        274.9021 7.600811 0.000000       7.600811 
1 1 1 -10 16 7  o 717.7119 12.60732 15138.34       530.6686 0.000000       0.000000 15138.34       530.6686 ?        ?        717.7119 12.60732 0.000000       12.60732 
1 1 1 -10 16 8  o 218.8254 7.715452 1407.112       98.86201 0.000000       0.000000 1407.112       98.86201 ?        ?        218.8254 7.715452 0.000000       7.715452 
1 1 1 -10 16 9  o 320.9920 7.681654 3024.149       144.6104 0.000000       0.000000 3024.149       144.6104 ?        ?        320.9920 7.681654 0.000000       7.681654 
1 1 1 -10 16 10 o 486.1395 9.457284 6940.381       269.6360 0.000000       0.000000 6940.381       269.6360 ?        ?        486.1395 9.457284 0.000000       9.457284 
1 1 1 -10 16 11 o 447.5322 8.887090 5881.404       233.2568 0.000000       0.000000 5881.404       233.2568 ?        ?        447.5322 8.887090 0.000000       8.887090 
1 1 1 -10 16 12 o 187.4931 8.500546 1034.393       93.22913 0.000000       0.000000 1034.393       93.22913 ?        ?        187.4931 8.500546 0.000000       8.500546 
1 1 1 -10 16 13 o 358.9420 8.838591 3784.244       186.0620 0.000000       0.000000 3784.244       186.0620 ?        ?        358.9420 8.838591 0.000000       8.838591 
1 1 1 -10 16 14 o 282.0963 8.514683 2339.518       140.7081 0.000000       0.000000 2339.518       140.7081 ?        ?        282.0963 8.514683 0.000000       8.514683 
1 1 1 -10 16 15 o 586.0810 10.47324 10100.04       359.9890 0.000000       0.000000 10100.04       359.9890 ?        ?        586.0810 10.47324 0.000000       10.47324 
1 1 1 -10 16 16 o 266.4706 8.293343 2088.143       129.4495 0.000000       0.000000 2088.143       129.4495 ?        ?        266.4706 8.293343 0.000000       8.293343 
1 1 1 -10 16 17 o 71.61533 17.42540 157.8048       72.48174 0.000000       0.000000 157.8048       72.48174 ?        ?        71.61533 17.42540 0.000000       17.42540 
1 1 1 -10 16 18 o 242.3118 8.223050 1727.642       116.6886 0.000000       0.000000 1727.642       116.6886 ?        ?        242.3118 8.223050 0.000000       8.223050 
1 1 1 -10 16 19 f 204.8104 7.446425 1234.190       89.29495 1418.884       355.5573 1221.757       92.25156 214.9311 28.94206 203.7479 7.734272 11.18324       29.95767 
1 1 1 -10 16 20 o 314.3054 7.053772 2902.589       130.0241 3059.543       398.8244 2883.923       137.5387 319.4250 21.41304 313.2538 7.486486 6.171143       22.68404 
1 1 1 -10 16 21 o 507.8946 8.533470 7588.007       254.1849 7638.935       625.4464 7577.932       278.1952 505.1299 21.15920 507.3985 9.348671 -2.268555      23.13243 
1 1 1 -10 16 22 o 262.8613 6.966635 2032.198       107.3043 1840.108       349.7794 2052.154       112.7405 245.9170 24.58149 264.1131 7.285420 -18.19611      25.63839 
1 1 1 -10 16 23 o 291.0064 6.909422 2489.168       117.9220 2663.542       382.5960 2470.864       123.9566 297.0338 22.12144 289.8037 7.298961 7.230103       23.29449 
1 1 1 -10 16 24 o 250.2351 7.266581 1842.743       106.5292 1793.915       394.0372 1846.594       110.6496 240.8963 28.43805 250.4623 7.541401 -9.565994      29.42100 
1 1 1 -10 16 25 o 464.8918 8.417808 6361.096       229.5099 6174.218       597.0748 6393.496       248.6105 452.3480 22.57774 465.9296 9.098058 -13.58157      24.34192 
1 1 1 -10 16 26 o 282.8658 9.306796 2359.359       154.1841 0.000000       0.000000 2359.359       154.1841 ?        ?        282.8658 9.306796 0.000000       9.306796 
1 1 1 -10 16 27 o 119.8417 15.36438 432.9647       105.5065 1073.031       426.7700 391.2984       108.8865 180.4099 41.23719 113.5083 16.86880 66.90160       44.55404 
1 1 1 -10 16 28 f 332.3013 7.833251 3248.644       152.6598 3073.237       477.2000 3268.642       161.1272 317.1849 25.87764 333.2641 8.243846 -16.07916      27.15904 
1 1 1 -10 16 29 o 324.1082 7.766987 3090.973       147.6363 3345.244       473.8933 3063.642       155.3685 331.2776 24.56629 322.5021 8.221180 8.775574       25.90541 
1 1 1 -10 16 30 o 157.9748 9.877878 739.1365       91.05907 776.1557       385.0794 736.9438       93.71696 151.8153 41.88725 157.6896 10.18814 -5.874374      43.10846 
1 1 1 -10 16 31 o 142.0595 13.75440 605.0728       113.1622 1678.932       409.5129 516.2935       117.7470 229.8417 31.18363 130.6716 15.67712 99.17014       34.90259 
1 1 1 -10 16 32 o 264.7567 7.935813 2067.589       123.0831 1781.008       419.2792 2094.614       128.7560 236.0426 31.03883 266.4201 8.250373 -30.37749      32.11663 
1 1 1 -10 16 33 f 376.1535 7.885526 4171.417       173.9588 4948.321       513.5118 4070.701       184.8910 402.0315 21.86135 371.4271 8.487734 30.60440       23.45123 
1 1 1 -10 16 34 o 251.1275 8.039538 1862.423       118.2540 1707.630       395.0533 1877.658       123.9368 230.3650 29.94905 252.0735 8.395161 -21.70853      31.10345 
1 1 1 -10 16 35 o 112.3248 13.67718 382.6066       88.24433 698.4947       358.8910 362.2800       91.03922 139.6215 41.08493 109.0053 14.60807 30.61623       43.60467 
1 1 1 -10 16 36 o 195.2273 8.950975 1131.306       102.2126 734.2657       343.9647 1169.762       107.0482 141.8427 39.75864 198.4510 9.222843 -56.60832      40.81434 
1 1 1 -10 16 37 o 239.5901 8.223917 1702.803       115.3862 875.2166       377.0990 1788.291       121.1993 150.8438 41.38474 245.4659 8.431479 -94.62215      42.23490 
1 1 1 -10 16 38 o 268.2425 7.975447 2136.155       125.3287 2410.462       385.2335 2103.685       132.5388 271.6017 24.44604 265.9696 8.507848 5.632050       25.88421 
1 1 1 -10 16 39 o 153.1137 10.31633 705.2849       92.09738 742.4813       353.6383 702.5786       95.38895 133.9764 41.09692 152.6647 10.72209 -18.68829      42.47258 
1 1 1 -10 16 40 f 71.55145 19.64552 168.4251       84.94007 160.9174       114.3403 177.6703       126.8832 70.39796 23.55261 73.54291 24.81258 -3.144943      34.21095 
1 1 1 -10 16 41 o 52.77696 20.28439 70.06100       88.30741 92.51428       116.5041 39.74156       135.3823 59.66215 23.19916 55.92437 23.73544 3.737782       33.18994 
1 1 1 -10 16 42 o 60.65702 21.11141 115.6721       92.03455 118.7585       125.3123 112.0577       135.6097 63.72775 24.24465 63.76347 24.96133 -0.3572464E-01 34.79757 
1 1 1 -10 16 43 o 148.7059 11.08160 675.2968       95.95060 638.1030       130.5283 719.0228       141.5274 141.5539 16.00319 150.0947 16.34125 -8.540787      22.87222 
1 1 1 -10 16 44 o 51.62505 20.86534 58.57812       97.74136 70.80254       142.3416 47.67159       134.4501 58.80374 24.61168 55.44649 23.59758 3.357246       34.09663 
1 1 1 -10 16 45 o 60.39690 22.57349 113.6433       107.5536 111.6747       160.5920 115.2446       144.8333 64.34916 26.46522 63.48355 25.49010 0.8656120      36.74443 
1 1 1 -10 16 46 o 126.7636 15.78700 519.8764       114.8303 561.6154       171.3204 485.8286       154.7328 124.3918 24.35573 116.2585 23.50286 8.133301       33.84650 
1 1 1 -10 16 47 o 118.1044 18.04267 466.4418       121.0145 598.4667       172.8494 339.5123       169.4811 128.6060 23.79303 91.80711 28.50126 36.79894       37.12722 
1 1 1 -10 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 2  o 497.0389 10.72601 7255.894       312.6650 0.000000       0.000000 7255.894       312.6650 ?        ?        497.0389 10.72601 0.000000       10.72601 
1 1 1 -10 17 3  o 428.1478 9.777678 5382.542       245.5161 0.000000       0.000000 5382.542       245.5161 ?        ?        428.1478 9.777678 0.000000       9.777678 
1 1 1 -10 17 4  o 607.9495 12.66607 10862.97       451.6061 0.000000       0.000000 10862.97       451.6061 ?        ?        607.9495 12.66607 0.000000       12.66607 
1 1 1 -10 17 5  o 558.3113 11.75694 9159.132       384.9650 0.000000       0.000000 9159.132       384.9650 ?        ?        558.3113 11.75694 0.000000       11.75694 
1 1 1 -10 17 6  o 274.0352 7.544272 2205.656       121.1325 0.000000       0.000000 2205.656       121.1325 ?        ?        274.0352 7.544272 0.000000       7.544272 
1 1 1 -10 17 7  o 61.60116 17.40730 114.7186       65.65723 0.000000       0.000000 114.7186       65.65723 ?        ?        61.60116 17.40730 0.000000       17.40730 
1 1 1 -10 17 8  o 231.2997 7.575830 1572.012       102.6289 0.000000       0.000000 1572.012       102.6289 ?        ?        231.2997 7.575830 0.000000       7.575830 
1 1 1 -10 17 9  o 507.7625 9.690487 7573.110       288.5737 0.000000       0.000000 7573.110       288.5737 ?        ?        507.7625 9.690487 0.000000       9.690487 
1 1 1 -10 17 10 o 671.6294 11.76370 13262.70       463.3661 0.000000       0.000000 13262.70       463.3661 ?        ?        671.6294 11.76370 0.000000       11.76370 
1 1 1 -10 17 11 o 89.89912 13.50482 243.1142       69.00365 0.000000       0.000000 243.1142       69.00365 ?        ?        89.89912 13.50482 0.000000       13.50482 
1 1 1 -10 17 12 o 549.4806 10.06150 8873.514       324.2393 0.000000       0.000000 8873.514       324.2393 ?        ?        549.4806 10.06150 0.000000       10.06150 
1 1 1 -10 17 13 o 132.2820 10.07702 517.3232       77.58943 0.000000       0.000000 517.3232       77.58943 ?        ?        132.2820 10.07702 0.000000       10.07702 
1 1 1 -10 17 14 o 362.3842 8.824370 3858.664       187.5441 0.000000       0.000000 3858.664       187.5441 ?        ?        362.3842 8.824370 0.000000       8.824370 
1 1 1 -10 17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 16 o 291.0722 8.339127 2491.823       142.2080 0.000000       0.000000 2491.823       142.2080 ?        ?        291.0722 8.339127 0.000000       8.339127 
1 1 1 -10 17 17 o 233.5362 8.515703 1605.381       116.4387 0.000000       0.000000 1605.381       116.4387 ?        ?        233.5362 8.515703 0.000000       8.515703 
1 1 1 -10 17 18 o 459.3092 8.773815 6204.040       236.3438 0.000000       0.000000 6204.040       236.3438 ?        ?        459.3092 8.773815 0.000000       8.773815 
1 1 1 -10 17 19 o 408.8295 7.593533 4912.550       182.0693 5704.961       528.8971 4806.023       193.9216 436.8799 20.70121 404.2980 8.178510 32.58188       22.25822 
1 1 1 -10 17 20 o 128.6598 9.777009 490.1784       73.22099 401.8897       327.3342 494.8287       75.12461 116.4517 39.84563 129.2448 9.988481 -12.79310      41.07851 
1 1 1 -10 17 21 o 595.5643 9.708704 10446.96       339.1099 10326.58       795.6254 10473.68       374.8642 585.6649 23.20971 596.0374 10.72383 -10.37256      25.56739 
1 1 1 -10 17 22 o 58.39731 18.10226 101.3348       68.39771 241.9704       359.3549 96.04844       69.67135 104.1310 40.67153 57.34022 18.33805 46.79074       44.61454 
1 1 1 -10 17 23 o 304.9699 7.349485 2734.917       131.4512 2706.359       443.0747 2737.673       137.6485 297.8063 25.61707 304.9857 7.701743 -7.179413      26.74978 
1 1 1 -10 17 24 o 234.4747 7.626943 1618.776       104.7415 2091.950       397.6283 1583.495       108.5762 261.2327 26.31178 231.8557 7.996811 29.37700       27.50016 
1 1 1 -10 17 25 o 200.4864 8.623302 1185.386       101.1562 240.2328       414.3944 1245.274       104.3117 108.1564 43.22215 205.4906 8.674987 -97.33414      44.08411 
1 1 1 -10 17 26 o 110.6644 17.57081 373.3541       110.2313 0.000000       0.000000 373.3541       110.2313 ?        ?        110.6644 17.57081 0.000000       17.57081 
1 1 1 -10 17 27 o 258.6544 8.073024 1970.464       122.3135 2268.964       459.6935 1947.721       126.8876 270.6835 29.43039 257.1055 8.426444 13.57800       30.61295 
1 1 1 -10 17 28 o 193.3561 11.52629 1108.268       130.1135 0.000000       0.000000 1108.268       130.1135 ?        ?        193.3561 11.52629 0.000000       11.52629 
1 1 1 -10 17 29 f 454.4881 8.413353 6083.446       224.2550 7398.039       645.1912 5902.805       239.1669 494.3241 22.31244 447.5219 9.112473 46.80225       24.10150 
1 1 1 -10 17 30 o 51.50381 19.22407 61.62457       77.95213 -293.6278      374.2623 77.73480       79.70004 74.15321 34.66513 54.74250 19.59249 19.41071       39.81880 
1 1 1 -10 17 31 o 101.4113 14.59079 312.4389       84.28461 -121.6654      377.4343 335.2225       86.46814 81.56722 36.88747 105.1560 14.39849 -23.58876      39.59800 
1 1 1 -10 17 32 o 218.5210 8.366405 1410.518       107.0236 950.8367       429.1465 1441.003       110.5155 164.2588 43.76262 220.8379 8.549093 -56.57904      44.58984 
1 1 1 -10 17 33 o 224.9960 8.246391 1495.587       108.6310 1653.875       419.7042 1484.222       112.4634 225.1442 32.74479 224.0709 8.573877 1.073288       33.84867 
1 1 1 -10 17 34 o 96.58005 15.47333 286.6306       84.68588 292.2599       400.4920 286.3671       86.64511 105.9424 42.43893 96.42535 15.87340 9.517014       45.31034 
1 1 1 -10 17 35 o 92.70792 16.50013 267.0976       86.42414 547.5211       398.1871 253.2343       88.53465 123.9665 43.85269 89.95283 17.41155 34.01363       47.18284 
1 1 1 -10 17 36 o 51.41577 19.49015 62.30102       80.80468 174.0306       363.2997 56.48608       82.88074 92.35529 39.02518 50.80093 19.61805 41.55435       43.67874 
1 1 1 -10 17 37 o 46.42666 18.59939 37.94599       76.93076 -241.5648      352.4458 51.92946       78.83163 69.23225 32.75714 49.06547 19.08196 20.16679       37.90978 
1 1 1 -10 17 38 o 46.57765 18.94102 34.55782       81.11355 -153.7736      352.6863 45.07583       83.34781 71.75823 33.57985 48.60553 19.39747 23.15270       38.77974 
1 1 1 -10 17 39 o 105.2359 14.21875 343.9030       85.51266 -297.9351      367.8708 380.5653       87.92102 67.14964 32.23597 110.9507 13.80984 -43.80106      35.06949 
1 1 1 -10 17 40 o 104.3238 16.90578 347.3860       99.89838 372.1637       113.9331 264.9906       207.7642 107.0657 18.83190 86.69081 31.55221 20.37486       36.74483 
1 1 1 -10 17 41 o 73.27793 20.39498 180.6231       90.85430 273.5071       127.6923 85.38905       129.2975 88.40980 24.01146 59.97878 24.08374 28.43102       34.00848 
1 1 1 -10 17 42 o 132.0130 11.97585 535.6862       91.71221 503.0072       124.0035 575.1460       136.2628 124.8091 17.41443 133.2506 17.88785 -8.441528      24.96473 
1 1 1 -10 17 43 o 83.94791 19.60197 238.7949       94.74802 184.9411       131.4581 297.0142       136.6824 72.81999 25.23750 90.51025 24.94856 -17.69025      35.48749 
1 1 1 -10 17 44 o 44.05298 19.65623 -13.59168      103.2378 49.01043       153.1758 -65.69841      139.7470 57.71093 24.88540 46.53370 21.55927 11.17724       32.92545 
1 1 1 -10 17 45 o 47.84657 20.55006 23.33747       103.6647 111.4467       147.3385 -63.03642      145.8804 63.10275 25.57679 47.53469 22.02452 15.56805       33.75280 
1 1 1 -10 17 46 o 63.11287 23.26134 132.6345       113.4716 162.8588       161.5368 103.1934       159.4300 69.17580 27.19442 62.68081 26.12678 6.494987       37.71133 
1 1 1 -10 17 47 o 64.44061 23.88819 141.0526       119.9729 124.4699       166.6620 158.8877       172.8413 65.07121 26.88137 68.92143 27.78553 -3.850220      38.66063 
1 1 1 -10 18 1  o 440.1960 9.822727 5690.894       253.5880 0.000000       0.000000 5690.894       253.5880 ?        ?        440.1960 9.822727 0.000000       9.822727 
1 1 1 -10 18 2  o 481.0776 10.49962 6798.613       296.2371 0.000000       0.000000 6798.613       296.2371 ?        ?        481.0776 10.49962 0.000000       10.49962 
1 1 1 -10 18 3  o 381.0941 9.105539 4264.554       203.5113 0.000000       0.000000 4264.554       203.5113 ?        ?        381.0941 9.105539 0.000000       9.105539 
1 1 1 -10 18 4  o 594.6212 12.45562 10395.12       434.3666 0.000000       0.000000 10395.12       434.3666 ?        ?        594.6212 12.45562 0.000000       12.45562 
1 1 1 -10 18 5  o 379.2825 9.180533 4224.533       204.2120 0.000000       0.000000 4224.533       204.2120 ?        ?        379.2825 9.180533 0.000000       9.180533 
1 1 1 -10 18 6  o 716.0634 12.67542 15079.12       532.3096 0.000000       0.000000 15079.12       532.3096 ?        ?        716.0634 12.67542 0.000000       12.67542 
1 1 1 -10 18 7  o 339.3789 7.975733 3381.502       158.7472 0.000000       0.000000 3381.502       158.7472 ?        ?        339.3789 7.975733 0.000000       7.975733 
1 1 1 -10 18 8  o 197.3017 7.846977 1144.702       90.61846 0.000000       0.000000 1144.702       90.61846 ?        ?        197.3017 7.846977 0.000000       7.846977 
1 1 1 -10 18 9  o 423.7375 8.735826 5273.549       217.0958 0.000000       0.000000 5273.549       217.0958 ?        ?        423.7375 8.735826 0.000000       8.735826 
1 1 1 -10 18 10 o 367.7241 8.018887 3970.832       172.9365 0.000000       0.000000 3970.832       172.9365 ?        ?        367.7241 8.018887 0.000000       8.018887 
1 1 1 -10 18 11 o 427.9542 8.544777 5379.726       214.4611 0.000000       0.000000 5379.726       214.4611 ?        ?        427.9542 8.544777 0.000000       8.544777 
1 1 1 -10 18 12 o 305.1177 7.734118 2735.834       138.2861 0.000000       0.000000 2735.834       138.2861 ?        ?        305.1177 7.734118 0.000000       7.734118 
1 1 1 -10 18 13 o 444.9563 8.947752 5818.449       233.4973 0.000000       0.000000 5818.449       233.4973 ?        ?        444.9563 8.947752 0.000000       8.947752 
1 1 1 -10 18 14 o 295.3169 8.331007 2564.698       144.1458 0.000000       0.000000 2564.698       144.1458 ?        ?        295.3169 8.331007 0.000000       8.331007 
1 1 1 -10 18 15 o 282.7864 19.22134 2383.560       316.8865 0.000000       0.000000 2383.560       316.8865 ?        ?        282.7864 19.22134 0.000000       19.22134 
1 1 1 -10 18 16 f 321.3280 8.475943 3037.486       159.5907 0.000000       0.000000 3037.486       159.5907 ?        ?        321.3280 8.475943 0.000000       8.475943 
1 1 1 -10 18 17 o 267.7789 7.154533 2108.248       112.2584 2564.907       397.5960 2068.691       117.0195 291.8565 23.42512 265.2151 7.530947 26.64139       24.60592 
1 1 1 -10 18 18 o 217.2549 8.583609 1390.356       109.1527 0.000000       0.000000 1390.356       109.1527 ?        ?        217.2549 8.583609 0.000000       8.583609 
1 1 1 -10 18 19 o 262.5023 7.249043 2026.773       111.4932 1816.875       390.7261 2045.379       116.3297 243.4226 27.87107 263.6738 7.530404 -20.25117      28.87046 
1 1 1 -10 18 20 o 85.09085 14.61223 220.3337       70.29446 -209.0329      357.4853 237.6032       71.69418 76.69803 35.15158 88.50092 14.30035 -11.80289      37.94909 
1 1 1 -10 18 21 o 250.9270 7.224079 1852.643       106.2009 2251.019       416.9605 1825.006       109.8229 271.2168 26.55354 249.0104 7.528771 22.20647       27.60023 
1 1 1 -10 18 22 o 326.7094 7.734550 3139.652       148.1997 0.000000       0.000000 3139.652       148.1997 ?        ?        326.7094 7.734550 0.000000       7.734550 
1 1 1 -10 18 23 o 559.0156 11.95683 9232.094       392.0039 0.000000       0.000000 9232.094       392.0039 ?        ?        559.0156 11.95683 0.000000       11.95683 
1 1 1 -10 18 24 o 304.6881 7.632032 2732.222       136.2712 2755.243       480.8615 2730.212       142.0965 299.4868 27.69083 304.5268 7.963064 -5.039917      28.81306 
1 1 1 -10 18 25 o 244.0638 8.208936 1754.774       117.3336 1816.443       436.6302 1749.974       121.8143 241.0015 31.65648 243.6839 8.536741 -2.682404      32.78733 
1 1 1 -10 18 26 o 405.8649 10.54158 4861.687       250.7089 0.000000       0.000000 4861.687       250.7089 ?        ?        405.8649 10.54158 0.000000       10.54158 
1 1 1 -10 18 27 o 227.0008 8.653852 1519.426       114.9983 1193.476       424.1429 1545.288       119.4735 191.0036 39.17890 228.8885 8.917202 -37.88498      40.18087 
1 1 1 -10 18 28 o 523.4377 8.955775 8073.068       274.9278 10022.17       779.5622 7796.213       293.8055 574.9975 23.16457 514.1577 9.743455 60.83978       25.13030 
1 1 1 -10 18 29 o 226.4041 8.251601 1511.800       109.3820 2272.865       422.4066 1457.099       113.2447 270.8797 26.94607 222.1919 8.707244 48.68782       28.31796 
1 1 1 -10 18 30 o 237.6377 12.64388 1680.262       175.5821 2641.060       432.5938 1490.761       192.1186 292.1573 25.50256 223.2028 14.75924 68.95457       29.46550 
1 1 1 -10 18 31 o 155.2878 13.87768 723.6818       125.0570 0.000000       0.000000 723.6818       125.0570 ?        ?        155.2878 13.87768 0.000000       13.87768 
1 1 1 -10 18 32 o 117.6152 12.89485 416.2903       87.49017 -105.8999      419.5989 440.0250       89.45639 86.03299 38.90151 120.9800 12.80203 -34.94698      40.95387 
1 1 1 -10 18 33 o 263.1664 8.190142 2046.020       126.2535 2811.529       459.0685 1983.381       131.3173 298.7174 26.47790 258.9899 8.657640 39.72754       27.85738 
1 1 1 -10 18 34 o 96.55061 15.76091 287.4970       86.16959 -61.53909      426.6372 302.3409       87.98283 87.14974 39.33332 99.09444 15.65862 -11.94470      42.33559 
1 1 1 -10 18 35 o 216.1021 8.589382 1384.860       108.6439 841.0660       409.9995 1425.928       112.6716 148.2204 43.99024 219.2329 8.780875 -71.01253      44.85806 
1 1 1 -10 18 36 o 216.3274 8.642756 1390.658       109.4307 1753.224       412.0081 1363.140       113.5076 225.7092 32.02259 214.0321 9.063161 11.67706       33.28044 
1 1 1 -10 18 37 o 55.58900 19.57688 88.78360       79.28757 -152.0423      365.8836 100.6499       81.21747 73.47477 34.32403 58.07064 19.84826 15.40413       39.64962 
1 1 1 -10 18 38 o 35.29848 16.31642 -55.57980      79.36488 1.166889       363.9789 -58.41251      81.32164 78.99149 35.92088 35.57191 16.46862 43.41958       39.51614 
1 1 1 -10 18 39 o 99.66329 14.95879 311.4431       84.73793 328.8869       354.5943 310.3866       87.26633 96.36158 39.44454 99.26479 15.49604 -2.903214      42.37923 
1 1 1 -10 18 40 o 151.9730 11.33897 702.6349       100.3342 589.0049       317.7999 715.2151       105.7425 116.7396 39.26834 153.0714 11.87164 -36.33186      41.02363 
1 1 1 -10 18 41 o 197.5919 9.223897 1173.926       106.5943 1169.610       148.8563 1178.467       152.7118 194.8032 13.10554 195.3190 13.41288 -0.5157776     18.75261 
1 1 1 -10 18 42 o 141.7305 11.75742 616.7713       96.85079 587.8334       131.0676 651.5774       143.7438 135.2129 16.89600 141.8811 17.65575 -6.668198      24.43768 
1 1 1 -10 18 43 o 42.22555 18.98551 -23.20770      98.32896 20.15251       144.0578 -61.03066      134.5454 54.14472 23.72909 46.10260 21.28708 8.042122       31.87804 
1 1 1 -10 18 44 o 90.53904 20.13366 281.8630       104.1430 336.5244       147.4999 227.5258       147.0620 94.86933 25.82372 78.18775 26.70879 16.68158       37.15136 
1 1 1 -10 18 45 o 59.68278 22.53341 110.7964       107.7567 42.67754       153.6798 176.6769       151.1339 56.66028 24.67635 70.78484 26.69473 -14.12456      36.35286 
1 1 1 -10 18 46 o 73.75938 24.74915 201.2181       126.2430 327.3935       189.4597 100.4602       169.3047 88.59116 30.31398 63.07935 26.64695 25.51181       40.36084 
1 1 1 -10 18 47 o 42.23236 19.81319 -77.94144      124.1076 15.68279       181.8456 -159.5747      169.8018 56.98865 25.70377 45.22172 21.75861 11.76693       33.67671 
1 1 1 -10 19 1  f 315.1813 8.325017 2918.847       153.7502 0.000000       0.000000 2918.847       153.7502 ?        ?        315.1813 8.325017 0.000000       8.325017 
1 1 1 -10 19 2  o 755.1087 15.22088 16793.88       674.0621 0.000000       0.000000 16793.88       674.0621 ?        ?        755.1087 15.22088 0.000000       15.22088 
1 1 1 -10 19 3  o 147.7457 9.802615 644.0956       84.45871 0.000000       0.000000 644.0956       84.45871 ?        ?        147.7457 9.802615 0.000000       9.802615 
1 1 1 -10 19 4  o 509.9843 10.89282 7644.498       325.7974 0.000000       0.000000 7644.498       325.7974 ?        ?        509.9843 10.89282 0.000000       10.89282 
1 1 1 -10 19 5  o 308.2351 8.473495 2792.176       153.0323 0.000000       0.000000 2792.176       153.0323 ?        ?        308.2351 8.473495 0.000000       8.473495 
1 1 1 -10 19 6  o 143.2009 9.734547 605.2872       81.26854 0.000000       0.000000 605.2872       81.26854 ?        ?        143.2009 9.734547 0.000000       9.734547 
1 1 1 -10 19 7  o 476.7679 9.191983 6677.823       257.0199 0.000000       0.000000 6677.823       257.0199 ?        ?        476.7679 9.191983 0.000000       9.191983 
1 1 1 -10 19 8  o 237.7247 7.602212 1661.053       105.8537 0.000000       0.000000 1661.053       105.8537 ?        ?        237.7247 7.602212 0.000000       7.602212 
1 1 1 -10 19 9  o 463.6224 8.988364 6315.256       244.3968 0.000000       0.000000 6315.256       244.3968 ?        ?        463.6224 8.988364 0.000000       8.988364 
1 1 1 -10 19 10 o 204.7985 9.680044 1235.585       115.9375 0.000000       0.000000 1235.585       115.9375 ?        ?        204.7985 9.680044 0.000000       9.680044 
1 1 1 -10 19 11 o 483.0363 9.104313 6857.421       257.9155 0.000000       0.000000 6857.421       257.9155 ?        ?        483.0363 9.104313 0.000000       9.104313 
1 1 1 -10 19 12 f 298.0246 7.529937 2610.478       131.5061 0.000000       0.000000 2610.478       131.5061 ?        ?        298.0246 7.529937 0.000000       7.529937 
1 1 1 -10 19 13 o 150.6414 9.312963 669.7827       81.87553 0.000000       0.000000 669.7827       81.87553 ?        ?        150.6414 9.312963 0.000000       9.312963 
1 1 1 -10 19 14 o 501.0165 13.34623 7410.435       391.8088 0.000000       0.000000 7410.435       391.8088 ?        ?        501.0165 13.34623 0.000000       13.34623 
1 1 1 -10 19 15 o 219.3664 8.591589 1417.053       110.3198 0.000000       0.000000 1417.053       110.3198 ?        ?        219.3664 8.591589 0.000000       8.591589 
1 1 1 -10 19 16 o 55.62857 18.06544 88.95867       67.44443 0.000000       0.000000 88.95867       67.44443 ?        ?        55.62857 18.06544 0.000000       18.06544 
1 1 1 -10 19 17 o 210.8971 7.935657 1309.489       97.97801 0.000000       0.000000 1309.489       97.97801 ?        ?        210.8971 7.935657 0.000000       7.935657 
1 1 1 -10 19 18 o 413.0829 8.410859 5019.408       203.7643 0.000000       0.000000 5019.408       203.7643 ?        ?        413.0829 8.410859 0.000000       8.410859 
1 1 1 -10 19 19 o 299.7526 8.589436 2646.190       150.8447 0.000000       0.000000 2646.190       150.8447 ?        ?        299.7526 8.589436 0.000000       8.589436 
1 1 1 -10 19 20 o 296.3385 7.276219 2581.881       126.4574 2211.783       425.9075 2617.663       132.4294 268.4322 27.43953 298.2566 7.576971 -29.82443      28.46644 
1 1 1 -10 19 21 o 258.3885 7.353971 1964.832       111.3278 3255.779       472.3387 1888.899       114.5551 327.2096 24.79834 253.2956 7.720469 73.91396       25.97236 
1 1 1 -10 19 22 o 94.91253 14.31404 272.7548       77.20212 -453.2927      420.5230 298.0789       78.53696 74.64741 35.45395 99.40106 13.84741 -24.75365      38.06223 
1 1 1 -10 19 23 o 244.9911 8.040495 1767.836       115.3705 1221.972       463.0764 1803.960       119.1269 192.2832 42.22252 247.4597 8.219736 -55.17651      43.01518 
1 1 1 -10 19 24 o 232.2889 8.440708 1590.149       114.7982 583.3584       474.4275 1652.763       118.3141 136.9257 47.91381 236.8112 8.532857 -99.88548      48.66768 
1 1 1 -10 19 25 o 232.7909 8.678925 1597.524       118.2828 2536.168       532.3789 1548.784       121.3149 284.8607 32.44435 229.1550 9.044574 55.70572       33.68145 
1 1 1 -10 19 26 o 103.8109 18.93413 331.6480       111.0299 0.000000       0.000000 331.6480       111.0299 ?        ?        103.8109 18.93413 0.000000       18.93413 
1 1 1 -10 19 27 o 106.9529 18.09027 350.7422       109.4300 766.4591       435.2628 322.6928       113.0615 150.8153 45.45913 102.1398 19.58665 48.67545       49.49919 
1 1 1 -10 19 28 o 300.1263 7.781436 2653.443       136.8509 3371.868       474.0376 2588.124       142.9369 331.9191 24.52497 296.3259 8.232758 35.59320       25.86991 
1 1 1 -10 19 29 o 144.0974 10.88545 617.5178       91.31230 1278.071       402.6060 581.6965       93.75552 197.3179 36.12140 139.7073 11.54565 57.61058       37.92173 
1 1 1 -10 19 30 f 145.0650 14.61441 633.6175       122.6424 0.000000       0.000000 633.6175       122.6424 ?        ?        145.0650 14.61441 0.000000       14.61441 
1 1 1 -10 19 31 o 167.8347 10.11937 836.2809       99.14336 881.3513       411.5038 833.5035       102.1525 158.0843 43.17505 167.4862 10.45176 -9.401947      44.42211 
1 1 1 -10 19 32 f 94.65825 15.85198 275.6570       84.89319 368.0743       428.0831 271.8737       86.61339 113.5336 44.37718 93.86752 16.32574 19.66604       47.28492 
1 1 1 -10 19 33 o 131.5845 12.17352 519.8885       92.87973 406.3329       455.5176 524.8145       94.87283 115.9235 45.63762 132.1580 12.38475 -16.23441      47.28821 
1 1 1 -10 19 34 o 31.71317 15.17159 -105.5579      79.93801 -532.8878      420.9131 -89.56831      81.41982 68.97140 33.44559 33.35010 15.76904 35.62130       36.97662 
1 1 1 -10 19 35 o 100.2663 15.13020 310.9107       86.20470 654.3215       391.9874 293.4581       88.36808 129.5942 43.61168 97.03690 16.09114 32.55726       46.48552 
1 1 1 -10 19 36 o 50.05355 19.37774 55.84544       81.01175 364.2561       384.4516 41.51474       82.87254 103.4975 41.53893 48.12449 19.29584 55.37297       45.80188 
1 1 1 -10 19 37 o 162.3651 10.16251 791.6551       96.28548 147.9486       388.1779 833.8564       99.39162 88.58183 38.88268 166.6300 10.21975 -78.04818      40.20331 
1 1 1 -10 19 38 o 60.45675 20.19974 113.5318       84.10722 667.8984       381.1307 85.15272       86.23315 123.8586 42.96993 55.41914 20.30288 68.43942       47.52496 
1 1 1 -10 19 39 o 149.2642 10.83859 674.8580       94.23454 351.0902       367.0831 697.6999       97.50202 96.96989 39.96047 151.6936 11.03509 -54.72373      41.45615 
1 1 1 -10 19 40 o 158.1952 10.86135 760.1423       100.1576 1069.467       373.5271 736.1791       103.9648 157.1615 40.32804 155.3515 11.49229 1.809998       41.93356 
1 1 1 -10 19 41 o 74.92200 19.74460 189.4505       87.96289 109.5795       120.6571 280.0576       128.5107 61.83144 23.72424 88.94728 24.05911 -27.11584      33.78876 
1 1 1 -10 19 42 o 53.72234 20.58668 78.15706       90.77527 72.92386       125.9264 83.81815       130.9735 57.31215 23.48830 59.17088 24.06611 -1.858727      33.62853 
1 1 1 -10 19 43 o 57.37532 21.76229 96.66085       100.7794 -29.78941      147.7898 206.5670       137.7831 50.41744 22.91220 75.46947 25.85052 -25.05203      34.54300 
1 1 1 -10 19 44 o 57.98552 22.19307 99.43257       105.4080 146.1187       150.1129 54.02237       148.0474 67.28725 26.28514 57.26035 24.57520 10.02691       35.98401 
1 1 1 -10 19 45 o 62.82547 23.80387 128.1753       120.4977 38.78334       186.3598 192.3972       157.9590 59.65590 26.52669 72.58325 27.30865 -12.92736      38.07135 
1 1 1 -10 19 46 o 48.93394 21.94067 -5.850744      130.3148 -114.6197      197.7881 77.58472       173.2300 51.47704 24.41007 61.24982 26.43818 -9.772781      35.98373 
1 1 1 -10 20 1  o 445.0631 9.792344 5820.795       255.5988 0.000000       0.000000 5820.795       255.5988 ?        ?        445.0631 9.792344 0.000000       9.792344 
1 1 1 -10 20 2  o 241.5057 7.897253 1714.507       111.7042 0.000000       0.000000 1714.507       111.7042 ?        ?        241.5057 7.897253 0.000000       7.897253 
1 1 1 -10 20 3  o 417.8655 9.394887 5130.468       230.2388 0.000000       0.000000 5130.468       230.2388 ?        ?        417.8655 9.394887 0.000000       9.394887 
1 1 1 -10 20 4  o 356.9042 8.745392 3741.851       183.0549 0.000000       0.000000 3741.851       183.0549 ?        ?        356.9042 8.745392 0.000000       8.745392 
1 1 1 -10 20 5  o 338.4384 8.581002 3366.749       170.1836 0.000000       0.000000 3366.749       170.1836 ?        ?        338.4384 8.581002 0.000000       8.581002 
1 1 1 -10 20 6  o 263.5194 8.000565 2041.366       123.5038 0.000000       0.000000 2041.366       123.5038 ?        ?        263.5194 8.000565 0.000000       8.000565 
1 1 1 -10 20 7  o 216.3551 7.483666 1376.224       94.81516 0.000000       0.000000 1376.224       94.81516 ?        ?        216.3551 7.483666 0.000000       7.483666 
1 1 1 -10 20 8  o 348.6955 7.835826 3571.272       160.2440 0.000000       0.000000 3571.272       160.2440 ?        ?        348.6955 7.835826 0.000000       7.835826 
1 1 1 -10 20 9  o 160.6267 8.183522 759.9596       76.83780 0.000000       0.000000 759.9596       76.83780 ?        ?        160.6267 8.183522 0.000000       8.183522 
1 1 1 -10 20 10 o 36.62514 15.59184 -0.2156130     58.72699 0.000000       0.000000 -0.2156130     58.72699 ?        ?        36.62514 15.59184 0.000000       15.59184 
1 1 1 -10 20 11 o 267.2081 7.390716 2098.931       115.7096 0.000000       0.000000 2098.931       115.7096 ?        ?        267.2081 7.390716 0.000000       7.390716 
1 1 1 -10 20 12 o 228.3742 7.582861 1534.013       101.4210 0.000000       0.000000 1534.013       101.4210 ?        ?        228.3742 7.582861 0.000000       7.582861 
1 1 1 -10 20 13 o 476.3914 9.191610 6675.138       256.8065 0.000000       0.000000 6675.138       256.8065 ?        ?        476.3914 9.191610 0.000000       9.191610 
1 1 1 -10 20 14 o 78.28156 16.78164 188.4344       74.73061 0.000000       0.000000 188.4344       74.73061 ?        ?        78.28156 16.78164 0.000000       16.78164 
1 1 1 -10 20 15 o 161.8065 9.513793 773.1584       89.88342 0.000000       0.000000 773.1584       89.88342 ?        ?        161.8065 9.513793 0.000000       9.513793 
1 1 1 -10 20 16 o 158.2476 9.345510 739.6010       86.34810 0.000000       0.000000 739.6010       86.34810 ?        ?        158.2476 9.345510 0.000000       9.345510 
1 1 1 -10 20 17 o 365.3574 9.024669 3928.826       193.3747 0.000000       0.000000 3928.826       193.3747 ?        ?        365.3574 9.024669 0.000000       9.024669 
1 1 1 -10 20 18 o 309.3471 7.697605 2814.179       139.6536 0.000000       0.000000 2814.179       139.6536 ?        ?        309.3471 7.697605 0.000000       7.697605 
1 1 1 -10 20 19 o 145.5738 9.610459 626.9675       81.59087 0.000000       0.000000 626.9675       81.59087 ?        ?        145.5738 9.610459 0.000000       9.610459 
1 1 1 -10 20 20 o 391.3002 8.889724 4508.277       204.0088 3776.711       523.2769 4639.403       221.5389 352.1769 25.50783 396.8317 9.519041 -44.65475      27.22612 
1 1 1 -10 20 21 o 167.4489 9.297216 828.4344       90.94473 153.3666       432.1873 859.7117       93.02770 103.9731 43.15064 170.5850 9.334242 -66.61194      44.14868 
1 1 1 -10 20 22 o 182.5532 8.943733 983.6207       95.46294 941.1840       474.1588 985.4135       97.45857 167.0681 46.62665 182.6956 9.124689 -15.62753      47.51110 
1 1 1 -10 20 23 o 269.1833 8.188737 2134.096       129.1250 1796.202       544.7881 2154.208       132.9123 234.9178 41.03481 270.4206 8.390751 -35.50281      41.88389 
1 1 1 -10 20 24 o 244.1131 10.92993 1761.749       156.0832 2505.373       619.3627 1711.321       161.2887 279.5278 38.82752 240.4880 11.46868 39.03984       40.48589 
1 1 1 -10 20 25 o 149.3808 11.27000 662.5134       98.00636 538.3552       534.2403 666.8373       99.69833 135.3929 50.36775 149.8438 11.43113 -14.45090      51.64863 
1 1 1 -10 20 26 o 280.7916 9.896307 2328.057       162.7152 0.000000       0.000000 2328.057       162.7152 ?        ?        280.7916 9.896307 0.000000       9.896307 
1 1 1 -10 20 27 o 260.0343 9.731459 1997.535       148.1468 2885.888       493.0145 1909.359       155.3252 305.1677 27.85348 254.0788 10.44600 51.08897       29.74787 
1 1 1 -10 20 28 o 184.4690 11.38869 1010.765       122.6097 2405.413       456.6578 902.4152       127.2834 277.3273 28.48112 174.0167 12.55626 103.3106       31.12610 
1 1 1 -10 20 29 o 66.43645 23.29556 122.0612       112.1855 0.000000       0.000000 122.0612       112.1855 ?        ?        66.43645 23.29556 0.000000       23.29556 
1 1 1 -10 20 30 o 138.6355 15.42151 581.6427       123.2672 0.000000       0.000000 581.6427       123.2672 ?        ?        138.6355 15.42151 0.000000       15.42151 
1 1 1 -10 20 31 o 50.56538 19.63693 51.45228       83.39018 -15.67468      407.6618 54.38379       85.19160 88.96806 39.41478 51.38193 19.87696 37.58614       44.14316 
1 1 1 -10 20 32 o 123.7366 12.90605 461.3184       92.28215 710.6105       445.4233 450.1381       94.32879 139.4694 46.48281 122.0870 13.39385 17.38240       48.37403 
1 1 1 -10 20 33 o 116.8796 13.32248 413.8427       89.69324 847.8385       450.1180 395.8975       91.52881 149.0344 46.47668 114.1053 13.96828 34.92912       48.53035 
1 1 1 -10 20 34 o 93.48008 16.33582 272.7318       86.30102 102.3899       410.1030 280.6248       88.27779 91.61684 40.09703 94.80859 16.47399 -3.191742      43.34932 
1 1 1 -10 20 35 o 82.35883 17.83631 216.6540       83.65369 -27.62376      408.1405 227.3661       85.46820 83.31582 37.94576 84.41706 17.82353 -1.101242      41.92324 
1 1 1 -10 20 36 o 66.31127 20.07712 141.1617       84.76641 440.6035       447.9099 130.0388       86.32640 108.4956 44.36239 64.12428 20.40215 44.37128       48.82898 
1 1 1 -10 20 37 o 154.3198 10.46321 717.3713       94.13726 801.4636       389.7304 712.1611       97.00975 136.0247 43.35780 153.6082 10.83795 -17.58356      44.69183 
1 1 1 -10 20 38 o 118.3663 13.35368 432.2938       91.08372 805.4730       376.3158 409.0711       93.87499 135.2427 42.54288 114.7142 14.26045 20.52848       44.86934 
1 1 1 -10 20 39 o 151.5083 11.32141 698.8237       99.87025 477.5236       387.4803 714.5710       103.3625 104.1489 41.73587 153.0757 11.59981 -48.92677      43.31788 
1 1 1 -10 20 40 o 134.3750 12.69974 557.3057       98.89645 -130.6472      385.3478 605.8127       102.3236 71.68172 34.01451 140.2084 12.57723 -68.52671      36.26532 
1 1 1 -10 20 41 o 39.47614 17.67369 -20.77668      84.21537 -30.95873      110.5792 -6.715135      129.9488 44.22376 19.98602 49.92155 22.17732 -5.697784      29.85422 
1 1 1 -10 20 42 o 74.13540 20.98922 190.4462       95.36526 327.3428       134.4743 51.93941       135.2628 95.38438 24.04845 55.96548 23.73777 39.41890       33.79068 
1 1 1 -10 20 43 o 112.5627 16.33880 411.7264       104.7127 445.1657       148.7979 378.9193       147.3844 111.7004 23.46150 101.5835 24.92826 10.11692       34.23245 
1 1 1 -10 20 44 f 69.46284 23.85504 171.5148       117.3525 261.3386       184.1983 110.1469       152.2512 81.25658 29.68831 63.05256 25.83236 18.20401       39.35361 
1 1 1 -10 20 45 o 67.37660 24.05567 160.0921       120.0724 84.46274       180.0787 220.6318       161.1153 62.53254 26.97358 75.98377 27.76523 -13.45123      38.71023 
1 1 1 -10 20 46 o 54.41052 23.04279 58.38993       127.1297 67.15364       185.6535 50.65233       174.4465 61.14501 26.86311 58.81773 25.93267 2.327286       37.33805 
1 1 1 -10 21 1  o 314.7392 8.306787 2912.054       153.1985 0.000000       0.000000 2912.054       153.1985 ?        ?        314.7392 8.306787 0.000000       8.306787 
1 1 1 -10 21 2  o 233.1420 8.037173 1598.479       109.7298 0.000000       0.000000 1598.479       109.7298 ?        ?        233.1420 8.037173 0.000000       8.037173 
1 1 1 -10 21 3  o 455.9587 10.09653 6112.849       269.9903 0.000000       0.000000 6112.849       269.9903 ?        ?        455.9587 10.09653 0.000000       10.09653 
1 1 1 -10 21 4  o 366.1463 8.861895 3939.596       190.2969 0.000000       0.000000 3939.596       190.2969 ?        ?        366.1463 8.861895 0.000000       8.861895 
1 1 1 -10 21 5  o 178.9433 8.373356 942.8465       87.63137 0.000000       0.000000 942.8465       87.63137 ?        ?        178.9433 8.373356 0.000000       8.373356 
1 1 1 -10 21 6  o 220.5278 7.700550 1430.250       99.44173 0.000000       0.000000 1430.250       99.44173 ?        ?        220.5278 7.700550 0.000000       7.700550 
1 1 1 -10 21 7  o 299.3232 7.583578 2633.432       133.0195 0.000000       0.000000 2633.432       133.0195 ?        ?        299.3232 7.583578 0.000000       7.583578 
1 1 1 -10 21 8  o 393.0880 8.156491 4540.433       188.0371 0.000000       0.000000 4540.433       188.0371 ?        ?        393.0880 8.156491 0.000000       8.156491 
1 1 1 -10 21 9  o 205.9515 7.800972 1248.046       94.05426 0.000000       0.000000 1248.046       94.05426 ?        ?        205.9515 7.800972 0.000000       7.800972 
1 1 1 -10 21 10 o 255.6871 11.54930 1929.710       172.7398 0.000000       0.000000 1929.710       172.7398 ?        ?        255.6871 11.54930 0.000000       11.54930 
1 1 1 -10 21 11 o 120.4708 10.51288 430.4863       73.53362 0.000000       0.000000 430.4863       73.53362 ?        ?        120.4708 10.51288 0.000000       10.51288 
1 1 1 -10 21 12 o 240.1502 7.647466 1696.617       107.5714 0.000000       0.000000 1696.617       107.5714 ?        ?        240.1502 7.647466 0.000000       7.647466 
1 1 1 -10 21 13 o 72.45707 19.06990 161.8012       82.12358 0.000000       0.000000 161.8012       82.12358 ?        ?        72.45707 19.06990 0.000000       19.06990 
1 1 1 -10 21 14 o 116.1902 11.15282 401.5344       75.06625 0.000000       0.000000 401.5344       75.06625 ?        ?        116.1902 11.15282 0.000000       11.15282 
1 1 1 -10 21 15 o 95.11330 13.37336 272.4822       72.54140 0.000000       0.000000 272.4822       72.54140 ?        ?        95.11330 13.37336 0.000000       13.37336 
1 1 1 -10 21 16 o 349.7801 8.832431 3603.096       181.0416 0.000000       0.000000 3603.096       181.0416 ?        ?        349.7801 8.832431 0.000000       8.832431 
1 1 1 -10 21 17 o 329.6697 7.846447 3196.607       151.7060 0.000000       0.000000 3196.607       151.7060 ?        ?        329.6697 7.846447 0.000000       7.846447 
1 1 1 -10 21 18 o 161.7460 9.008948 772.6733       85.12143 0.000000       0.000000 772.6733       85.12143 ?        ?        161.7460 9.008948 0.000000       9.008948 
1 1 1 -10 21 19 o 85.95283 16.34499 226.6614       79.38363 0.000000       0.000000 226.6614       79.38363 ?        ?        85.95283 16.34499 0.000000       16.34499 
1 1 1 -10 21 20 o 91.55949 15.36242 255.3554       79.57333 0.000000       0.000000 255.3554       79.57333 ?        ?        91.55949 15.36242 0.000000       15.36242 
1 1 1 -10 21 21 o 39.77269 17.41696 -16.71721      77.47617 -138.7084      449.1355 -12.97585      78.65525 90.23036 40.57225 40.55698 17.65856 49.67338       44.24853 
1 1 1 -10 21 22 o 305.0137 8.157878 2739.390       145.7998 1996.606       517.7241 2803.373       151.9497 250.5244 36.29271 308.5186 8.405678 -57.99423      37.25341 
1 1 1 -10 21 23 o 344.8470 8.535252 3500.422       172.6209 0.000000       0.000000 3500.422       172.6209 ?        ?        344.8470 8.535252 0.000000       8.535252 
1 1 1 -10 21 24 o 334.6609 8.256624 3296.366       162.0534 2776.115       600.7339 3337.196       168.2923 296.1917 35.27500 336.5783 8.532532 -40.38666      36.29228 
1 1 1 -10 21 25 o 64.74011 22.36280 115.8392       103.1804 467.4123       540.4781 102.5415       105.1136 130.2615 50.15201 62.76385 22.49603 67.49760       54.96631 
1 1 1 -10 21 26 o 126.1189 15.92188 481.0395       115.1479 0.000000       0.000000 481.0395       115.1479 ?        ?        126.1189 15.92188 0.000000       15.92188 
1 1 1 -10 21 27 o 191.1371 11.73030 1085.593       130.8602 1650.559       488.5591 1041.928       135.8231 223.5455 38.66362 187.0825 12.44996 36.46295       40.61868 
1 1 1 -10 21 28 o 140.4278 11.94936 588.7857       97.47816 88.51582       451.3374 613.2629       99.83438 99.40788 42.78980 143.3291 11.98634 -43.92123      44.43692 
1 1 1 -10 21 29 o 142.8474 11.88915 609.5331       98.70117 0.000000       0.000000 609.5331       98.70117 ?        ?        142.8474 11.88915 0.000000       11.88915 
1 1 1 -10 21 30 o 316.3492 7.990268 2953.449       148.1259 4372.268       547.7377 2841.498       153.8588 374.9331 25.05345 310.1703 8.465992 64.76276       26.44520 
1 1 1 -10 21 31 o 114.4247 14.26536 397.3918       93.65766 752.0347       485.8822 383.7064       95.44765 142.8460 48.55257 112.2468 14.86409 30.59920       50.77690 
1 1 1 -10 21 32 o 87.52996 17.73749 240.3423       87.93141 -182.4697      486.5024 254.6210       89.40384 87.24043 40.35125 90.21078 17.53022 -2.970352      43.99468 
1 1 1 -10 21 33 o 123.8647 12.81690 464.4070       91.76318 211.4121       446.9411 475.5410       93.76064 100.4720 42.90017 125.3171 12.94337 -24.84509      44.81021 
1 1 1 -10 21 34 o 40.67013 17.83916 -12.50221      81.57579 -139.1814      410.2365 -7.286897      83.23807 79.24876 36.79294 41.70695 18.16239 37.54182       41.03161 
1 1 1 -10 21 35 o 88.52410 17.17889 249.3119       85.97047 647.8493       453.0811 234.4272       87.56119 123.2459 46.27587 85.47476 18.03507 37.77111       49.66608 
1 1 1 -10 21 36 o 248.2656 8.438661 1835.702       122.6899 2038.873       480.6949 1821.544       126.8927 233.4719 36.28400 247.1539 8.768138 -13.68199      37.32839 
1 1 1 -10 21 37 o 142.6973 11.44557 617.9609       94.98372 299.5320       407.8817 636.2191       97.66886 96.13539 41.01371 144.7351 11.60332 -48.59969      42.62349 
1 1 1 -10 21 38 o 188.0304 9.910758 1064.604       108.9053 1069.574       446.3180 1064.290       112.2998 149.3393 46.23322 187.8412 10.23248 -38.50195      47.35202 
1 1 1 -10 21 39 o 139.3661 12.27699 596.7825       99.32114 703.0718       428.3206 590.7425       102.1042 117.6920 44.81175 138.4258 12.71904 -20.73375      46.58183 
1 1 1 -10 21 40 o 50.24969 19.97931 56.73856       88.10117 553.7162       396.3601 30.90849       90.36166 106.1769 42.32439 46.99918 19.63586 59.17773       46.65749 
1 1 1 -10 21 41 f 55.46468 21.26981 85.09281       96.94720 -30.69548      377.2309 93.28115       100.3166 72.98808 34.33656 57.07701 21.69752 15.91107       40.61750 
1 1 1 -10 21 42 o 104.0254 17.08603 355.0865       100.6234 330.4006       138.7542 382.4699       146.1386 94.99379 24.68411 102.4838 24.62236 -7.490059      34.86497 
1 1 1 -10 21 43 o 41.48517 19.15430 -53.72776      108.9199 -109.8872      164.6967 -10.07204      145.2092 47.60284 22.48396 51.27857 23.06248 -3.675724      32.20879 
1 1 1 -10 21 44 o 63.71437 23.94455 134.3141       121.3635 211.8034       187.5177 78.45809       159.2048 75.23211 29.38112 60.24099 25.65950 14.99112       39.00846 
1 1 1 -10 21 45 o 98.74608 22.50538 351.5960       127.4228 344.4830       182.5603 358.3531       177.9348 91.05834 29.73258 93.38262 29.23654 -2.324280      41.69894 
1 1 1 -10 22 1  o 401.7226 9.065079 4744.185       213.5740 5688.059       409.2645 4390.949       250.3685 438.4433 15.94277 386.0840 11.06868 52.35928       19.40844 
1 1 1 -10 22 2  o 207.3601 7.857120 1265.067       95.37899 0.000000       0.000000 1265.067       95.37899 ?        ?        207.3601 7.857120 0.000000       7.857120 
1 1 1 -10 22 3  o 227.3875 8.064100 1521.160       107.3705 0.000000       0.000000 1521.160       107.3705 ?        ?        227.3875 8.064100 0.000000       8.064100 
1 1 1 -10 22 4  o 222.0221 7.953775 1450.235       103.3993 0.000000       0.000000 1450.235       103.3993 ?        ?        222.0221 7.953775 0.000000       7.953775 
1 1 1 -10 22 5  o 32.44633 14.71783 -35.63264      60.63425 0.000000       0.000000 -35.63264      60.63425 ?        ?        32.44633 14.71783 0.000000       14.71783 
1 1 1 -10 22 6  o 286.3452 8.132301 2411.615       136.4312 0.000000       0.000000 2411.615       136.4312 ?        ?        286.3452 8.132301 0.000000       8.132301 
1 1 1 -10 22 7  o 191.7505 7.954206 1082.393       89.25648 0.000000       0.000000 1082.393       89.25648 ?        ?        191.7505 7.954206 0.000000       7.954206 
1 1 1 -10 22 8  o 181.8188 8.127048 973.6074       86.44167 0.000000       0.000000 973.6074       86.44167 ?        ?        181.8188 8.127048 0.000000       8.127048 
1 1 1 -10 22 9  o 315.2811 7.598245 2921.107       140.4953 0.000000       0.000000 2921.107       140.4953 ?        ?        315.2811 7.598245 0.000000       7.598245 
1 1 1 -10 22 10 o 37.11538 15.77629 0.7641960      59.96485 0.000000       0.000000 0.7641960      59.96485 ?        ?        37.11538 15.77629 0.000000       15.77629 
1 1 1 -10 22 11 o 332.9346 7.808230 3258.379       152.4622 0.000000       0.000000 3258.379       152.4622 ?        ?        332.9346 7.808230 0.000000       7.808230 
1 1 1 -10 22 12 o 43.22931 19.21001 -34.34116      97.57355 0.000000       0.000000 -34.34116      97.57355 ?        ?        43.22931 19.21001 0.000000       19.21001 
1 1 1 -10 22 13 o 104.5212 11.42730 325.9647       68.90837 0.000000       0.000000 325.9647       68.90837 ?        ?        104.5212 11.42730 0.000000       11.42730 
1 1 1 -10 22 14 f 104.8200 12.47029 328.9836       75.15930 0.000000       0.000000 328.9836       75.15930 ?        ?        104.8200 12.47029 0.000000       12.47029 
1 1 1 -10 22 15 o 313.7595 8.570972 2899.191       157.5689 0.000000       0.000000 2899.191       157.5689 ?        ?        313.7595 8.570972 0.000000       8.570972 
1 1 1 -10 22 16 o 307.9521 8.492439 2793.004       153.2327 0.000000       0.000000 2793.004       153.2327 ?        ?        307.9521 8.492439 0.000000       8.492439 
1 1 1 -10 22 17 o 115.9122 12.54706 401.6917       83.93635 0.000000       0.000000 401.6917       83.93635 ?        ?        115.9122 12.54706 0.000000       12.54706 
1 1 1 -10 22 18 o 295.3961 8.735283 2571.129       151.1663 0.000000       0.000000 2571.129       151.1663 ?        ?        295.3961 8.735283 0.000000       8.735283 
1 1 1 -10 22 19 o 195.9025 9.257095 1132.878       106.0560 0.000000       0.000000 1132.878       106.0560 ?        ?        195.9025 9.257095 0.000000       9.257095 
1 1 1 -10 22 20 o 109.9214 14.51724 364.1503       91.30151 0.000000       0.000000 364.1503       91.30151 ?        ?        109.9214 14.51724 0.000000       14.51724 
1 1 1 -10 22 21 o 254.6748 9.065685 1912.360       135.1898 0.000000       0.000000 1912.360       135.1898 ?        ?        254.6748 9.065685 0.000000       9.065685 
1 1 1 -10 22 22 o 491.2074 9.121239 7106.285       262.7661 8235.440       801.4827 6970.300       278.1388 519.9492 26.36957 486.3337 9.751618 33.61545       28.11491 
1 1 1 -10 22 23 o 97.00201 16.97400 288.0540       93.04861 -118.5198      505.8066 302.2950       94.66419 96.56572 43.26722 99.45937 16.82850 -2.893646      46.42468 
1 1 1 -10 22 24 o 46.81475 19.44123 17.74644       87.80775 -304.3551      479.1021 28.94188       89.32071 86.07326 39.89224 48.70870 19.85055 37.36456       44.55822 
1 1 1 -10 22 25 o 48.82458 19.89787 29.43884       89.74749 -60.93374      496.5577 32.49071       91.25028 97.38678 43.30249 49.58069 20.11644 47.80609       47.74701 
1 1 1 -10 22 26 o 160.7645 13.14979 772.0027       122.8999 0.000000       0.000000 772.0027       122.8999 ?        ?        160.7645 13.14979 0.000000       13.14979 
1 1 1 -10 22 27 o 106.8062 19.26044 353.8005       116.2085 0.000000       0.000000 353.8005       116.2085 ?        ?        106.8062 19.26044 0.000000       19.26044 
1 1 1 -10 22 28 o 234.9121 9.020898 1631.622       124.0503 2963.536       578.9717 1567.536       126.9996 302.9265 33.12841 230.1577 9.428592 72.76877       34.44401 
1 1 1 -10 22 29 o 220.3726 8.902119 1436.519       114.8172 2651.623       532.9056 1377.366       117.5786 286.2785 32.30378 215.6909 9.316902 70.58762       33.62052 
1 1 1 -10 22 30 o 208.5025 9.346199 1288.289       113.9965 2150.336       510.8278 1243.109       116.9457 254.1968 35.20952 204.7070 9.769134 49.48976       36.53966 
1 1 1 -10 22 31 o 138.6459 11.96258 576.7029       96.32039 1425.458       513.8054 545.7886       98.05885 196.1978 45.53337 134.6955 12.55788 61.50230       47.23335 
1 1 1 -10 22 32 o 81.23946 18.85800 209.9796       88.11585 885.4298       501.3499 188.4494       89.50919 148.1221 49.31339 76.80495 19.75877 71.31715       53.12457 
1 1 1 -10 22 33 o 240.2353 8.465679 1713.181       119.0885 1095.531       502.3460 1749.960       122.5829 160.9998 48.90250 242.7479 8.624112 -81.74802      49.65712 
1 1 1 -10 22 34 o 40.39974 17.71676 -11.23489      80.42136 -127.5813      483.0255 -7.917744      81.55975 84.19662 39.36710 41.08139 17.93266 43.11523       43.25908 
1 1 1 -10 22 35 o 201.4646 9.325444 1213.258       109.8852 1502.595       532.7416 1200.401       112.3000 183.3478 48.71887 200.2836 9.588427 -16.93573      49.65347 
1 1 1 -10 22 36 o 69.85570 19.85328 159.9249       85.15807 325.8290       449.9754 153.7622       86.72529 99.28884 42.73173 68.57771 20.20087 30.71113       47.26601 
1 1 1 -10 22 37 o 123.0248 13.56641 468.0803       96.25977 738.1503       472.9071 456.4070       98.31808 121.9158 46.91925 121.2218 14.09171 0.6939468      48.98972 
1 1 1 -10 22 38 o 46.61992 19.64343 24.30889       91.62364 -437.7793      417.7495 47.66060       93.91022 65.51633 32.10630 50.14079 20.38397 15.37554       38.03053 
1 1 1 -10 22 39 o 180.8744 10.29866 991.1634       108.7952 447.5180       437.2957 1027.034       112.3270 99.48071 42.45461 184.0408 10.44980 -84.56013      43.72176 
1 1 1 -10 22 40 o 41.58783 18.47806 -13.35051      90.24863 199.8010       402.7394 -24.61978      92.60361 84.37234 38.13499 40.95287 18.41795 43.41947       42.34972 
1 1 1 -10 22 41 o 131.0793 13.72580 539.8771       103.9543 908.5201       413.8693 515.0533       107.3973 128.0866 44.75634 127.4340 14.63536 0.6525955      47.08847 
1 1 1 -10 22 42 o 252.2659 8.870518 1919.694       131.0333 2055.932       178.2798 1759.629       193.2413 258.3318 11.79836 236.6608 13.98504 21.67102       18.29707 
1 1 1 -10 22 43 o 50.33574 21.49410 35.30970       112.2077 9.465584       161.7453 59.28671       155.7932 54.79151 24.51461 58.26665 25.11085 -3.475136      35.09303 
1 1 1 -10 22 44 o 135.9352 16.32609 603.2010       127.5545 771.4016       180.6385 435.9252       180.1412 148.9803 21.27807 104.3307 28.59541 44.64960       35.64343 
1 1 1 -10 23 1  o 432.2457 16.42046 5538.798       415.5049 5538.798       415.5049 0.000000       0.000000 432.2457 16.42046 ?        ?        0.000000       16.42046 
1 1 1 -10 23 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 23 3  o 400.1813 9.339307 4710.815       219.1906 0.000000       0.000000 4710.815       219.1906 ?        ?        400.1813 9.339307 0.000000       9.339307 
1 1 1 -10 23 4  o 79.63577 15.47513 193.8877       69.67110 0.000000       0.000000 193.8877       69.67110 ?        ?        79.63577 15.47513 0.000000       15.47513 
1 1 1 -10 23 5  o 293.3052 7.288067 2527.652       125.3668 3007.785       320.9268 2441.190       136.1879 318.0557 17.26969 288.0689 8.068995 29.98679       19.06176 
1 1 1 -10 23 6  o 167.2303 8.900678 824.8425       86.98041 0.000000       0.000000 824.8425       86.98041 ?        ?        167.2303 8.900678 0.000000       8.900678 
1 1 1 -10 23 7  o 453.4120 9.925707 6051.603       263.9398 0.000000       0.000000 6051.603       263.9398 ?        ?        453.4120 9.925707 0.000000       9.925707 
1 1 1 -10 23 8  o 102.9368 11.82340 316.4932       70.08344 0.000000       0.000000 316.4932       70.08344 ?        ?        102.9368 11.82340 0.000000       11.82340 
1 1 1 -10 23 9  o 143.3237 9.064094 606.7984       75.79887 0.000000       0.000000 606.7984       75.79887 ?        ?        143.3237 9.064094 0.000000       9.064094 
1 1 1 -10 23 10 o 451.9854 9.104668 6011.868       241.3454 0.000000       0.000000 6011.868       241.3454 ?        ?        451.9854 9.104668 0.000000       9.104668 
1 1 1 -10 23 11 o 135.0406 9.694007 539.7245       76.26389 0.000000       0.000000 539.7245       76.26389 ?        ?        135.0406 9.694007 0.000000       9.694007 
1 1 1 -10 23 12 o 294.6601 7.823925 2555.106       135.0865 0.000000       0.000000 2555.106       135.0865 ?        ?        294.6601 7.823925 0.000000       7.823925 
1 1 1 -10 23 13 o 130.7478 9.785019 506.3869       74.48782 0.000000       0.000000 506.3869       74.48782 ?        ?        130.7478 9.785019 0.000000       9.785019 
1 1 1 -10 23 14 o 413.3126 9.585281 5032.146       232.3454 0.000000       0.000000 5032.146       232.3454 ?        ?        413.3126 9.585281 0.000000       9.585281 
1 1 1 -10 23 15 o 230.7103 8.617871 1568.911       116.4001 0.000000       0.000000 1568.911       116.4001 ?        ?        230.7103 8.617871 0.000000       8.617871 
1 1 1 -10 23 16 o 42.35625 17.79678 8.267606       74.87286 0.000000       0.000000 8.267606       74.87286 ?        ?        42.35625 17.79678 0.000000       17.79678 
1 1 1 -10 23 17 o 270.1314 8.160030 2149.138       129.1276 0.000000       0.000000 2149.138       129.1276 ?        ?        270.1314 8.160030 0.000000       8.160030 
1 1 1 -10 23 18 o 328.0908 8.502210 3170.449       163.4596 0.000000       0.000000 3170.449       163.4596 ?        ?        328.0908 8.502210 0.000000       8.502210 
1 1 1 -10 23 19 o 221.9054 9.806897 1453.901       127.3140 0.000000       0.000000 1453.901       127.3140 ?        ?        221.9054 9.806897 0.000000       9.806897 
1 1 1 -10 23 20 o 210.4347 10.03982 1308.202       123.5490 0.000000       0.000000 1308.202       123.5490 ?        ?        210.4347 10.03982 0.000000       10.03982 
1 1 1 -10 23 21 o 387.2193 9.104817 4416.082       206.7658 0.000000       0.000000 4416.082       206.7658 ?        ?        387.2193 9.104817 0.000000       9.104817 
1 1 1 -10 23 22 o 212.0470 9.559438 1327.845       118.5760 0.000000       0.000000 1327.845       118.5760 ?        ?        212.0470 9.559438 0.000000       9.559438 
1 1 1 -10 23 23 f 138.1117 12.74311 569.4241       102.0550 0.000000       0.000000 569.4241       102.0550 ?        ?        138.1117 12.74311 0.000000       12.74311 
1 1 1 -10 23 24 o 257.5192 8.611977 1956.086       129.8828 2162.118       577.0894 1945.092       133.3028 256.8017 39.58781 256.7487 8.866101 0.5291748E-01  40.56850 
1 1 1 -10 23 25 o 209.2124 9.443967 1294.211       115.5769 575.5642       516.8481 1332.039       118.5798 134.6027 49.63865 212.2340 9.551234 -77.63123      50.54919 
1 1 1 -10 23 26 o 102.6640 20.39793 329.3999       118.4865 0.000000       0.000000 329.3999       118.4865 ?        ?        102.6640 20.39793 0.000000       20.39793 
1 1 1 -10 23 27 o 129.9732 13.13106 507.4202       98.72184 1049.952       564.8048 490.3228       100.2653 167.8482 52.01701 127.6315 13.60444 40.21665       53.76662 
1 1 1 -10 23 28 o 112.9714 18.93836 395.6653       121.0396 0.000000       0.000000 395.6653       121.0396 ?        ?        112.9714 18.93836 0.000000       18.93836 
1 1 1 -10 23 29 o 82.31332 19.75605 214.1074       94.15689 285.0023       505.9118 211.5636       95.83122 111.8826 46.58076 81.76937 20.12219 30.11327       50.74121 
1 1 1 -10 23 30 o 188.4411 13.41957 1066.978       147.3376 0.000000       0.000000 1066.978       147.3376 ?        ?        188.4411 13.41957 0.000000       13.41957 
1 1 1 -10 23 31 o 155.7733 11.31742 726.7788       102.6877 700.9507       563.0574 727.6674       104.4392 134.2601 51.31592 155.8132 11.51028 -21.55304      52.59097 
1 1 1 -10 23 32 f 39.04882 17.48544 -29.46726      82.46977 -665.4407      540.4428 -14.30508      83.44706 75.32187 36.82843 40.99332 18.00981 34.32855       40.99618 
1 1 1 -10 23 33 o 53.77711 20.01716 74.68065       84.40250 328.4384       505.0313 67.38950       85.60647 105.0928 45.25048 52.72451 20.04349 52.36824       49.49088 
1 1 1 -10 23 34 o 150.3075 11.34606 682.6856       99.27905 203.7363       525.9278 700.3831       101.0966 98.05977 44.01371 152.2294 11.40662 -54.16968      45.46776 
1 1 1 -10 23 35 o 109.6951 14.60126 374.3000       91.60438 548.0909       489.4887 367.9926       93.25189 112.6555 46.25472 108.5643 15.05031 4.091148       48.64165 
1 1 1 -10 23 36 o 211.3205 9.281425 1338.196       114.7483 1904.037       497.1204 1306.351       117.9330 215.9575 40.74379 208.5973 9.666265 7.360229       41.87473 
1 1 1 -10 23 37 o 113.2698 15.08479 404.0884       97.71938 770.0261       505.2207 389.8662       99.60020 119.6181 47.75050 110.8920 15.75781 8.726181       50.28339 
1 1 1 -10 23 38 o 86.83681 19.82609 253.1100       98.74268 673.6217       463.5864 233.1256       101.0618 113.1659 45.54641 82.80247 20.83202 30.36338       50.08441 
1 1 1 -10 23 39 o 77.94740 21.21034 209.2175       99.52579 737.8041       423.0705 178.2514       102.3996 117.3537 44.57087 71.95402 22.12248 45.39973       49.75908 
1 1 1 -10 23 40 o 77.09235 21.46156 207.2516       100.5929 491.5664       421.8066 190.1066       103.5815 98.57867 41.86968 73.70071 22.16753 24.87797       47.37584 
1 1 1 -10 23 41 o 193.0911 10.95230 1141.828       123.5190 568.2787       437.6003 1191.480       128.7546 100.6387 42.69151 197.0772 11.18569 -96.43847      44.13258 
1 1 1 -10 23 42 o 94.27183 19.56079 304.3160       104.6010 268.1697       135.4666 357.6898       164.6131 84.50579 25.33571 95.65963 27.73462 -11.15384      37.56470 
1 1 1 -10 23 43 o 137.8056 15.45406 613.0485       122.7500 772.9447       166.6131 423.2300       181.5346 151.3307 19.20482 102.4465 28.94314 48.88426       34.73515 
1 1 1 -10 23 44 o 157.7357 14.25987 793.3923       130.4922 882.7482       178.4973 690.8125       191.2498 161.3789 19.23804 136.9026 24.72972 24.47627       31.33148 
1 1 1 -10 24 1  o 493.4426 8.926000 7162.619       258.3117 8269.256       536.0488 6827.930       294.7967 527.6027 17.34753 481.4956 10.43950 46.10703       20.24648 
1 1 1 -10 24 2  o 266.3765 8.098197 2088.098       126.3660 0.000000       0.000000 2088.098       126.3660 ?        ?        266.3765 8.098197 0.000000       8.098197 
1 1 1 -10 24 3  o 524.2395 16.74607 8158.434       514.2042 8158.434       514.2042 0.000000       0.000000 524.2395 16.74607 ?        ?        0.000000       16.74607 
1 1 1 -10 24 4  o 436.6159 9.965654 5612.833       255.1854 0.000000       0.000000 5612.833       255.1854 ?        ?        436.6159 9.965654 0.000000       9.965654 
1 1 1 -10 24 5  o 139.6410 9.763695 576.8375       79.45712 0.000000       0.000000 576.8375       79.45712 ?        ?        139.6410 9.763695 0.000000       9.763695 
1 1 1 -10 24 6  o 139.5417 9.784694 576.0860       79.56836 1159.334       300.6369 532.1533       82.51067 194.1343 27.14632 133.9831 10.58646 60.15117       29.13753 
1 1 1 -10 24 7  f 148.4325 9.587145 651.3228       83.01176 0.000000       0.000000 651.3228       83.01176 ?        ?        148.4325 9.587145 0.000000       9.587145 
1 1 1 -10 24 8  o 228.8017 10.25057 1545.401       137.1998 0.000000       0.000000 1545.401       137.1998 ?        ?        228.8017 10.25057 0.000000       10.25057 
1 1 1 -10 24 9  o 305.8277 7.808403 2752.209       139.9375 0.000000       0.000000 2752.209       139.9375 ?        ?        305.8277 7.808403 0.000000       7.808403 
1 1 1 -10 24 10 o 241.0732 8.092126 1711.423       114.2473 0.000000       0.000000 1711.423       114.2473 ?        ?        241.0732 8.092126 0.000000       8.092126 
1 1 1 -10 24 11 o 149.2360 40.05411 728.6878       357.8613 0.000000       0.000000 728.6878       357.8613 ?        ?        149.2360 40.05411 0.000000       40.05411 
1 1 1 -10 24 12 f 416.3966 8.700974 5103.522       212.4837 0.000000       0.000000 5103.522       212.4837 ?        ?        416.3966 8.700974 0.000000       8.700974 
1 1 1 -10 24 13 o 191.3868 8.359158 1079.972       93.60011 0.000000       0.000000 1079.972       93.60011 ?        ?        191.3868 8.359158 0.000000       8.359158 
1 1 1 -10 24 14 o 184.6072 9.066717 1005.972       97.86304 0.000000       0.000000 1005.972       97.86304 ?        ?        184.6072 9.066717 0.000000       9.066717 
1 1 1 -10 24 15 o 462.5504 10.52208 6310.009       285.4377 0.000000       0.000000 6310.009       285.4377 ?        ?        462.5504 10.52208 0.000000       10.52208 
1 1 1 -10 24 16 o 210.7740 9.625607 1311.666       118.6719 0.000000       0.000000 1311.666       118.6719 ?        ?        210.7740 9.625607 0.000000       9.625607 
1 1 1 -10 24 17 f 338.7106 9.653494 3383.026       191.5670 0.000000       0.000000 3383.026       191.5670 ?        ?        338.7106 9.653494 0.000000       9.653494 
1 1 1 -10 24 18 o 292.3062 8.641466 2517.300       147.9786 0.000000       0.000000 2517.300       147.9786 ?        ?        292.3062 8.641466 0.000000       8.641466 
1 1 1 -10 24 19 o 290.2365 11.52234 2491.045       195.7399 0.000000       0.000000 2491.045       195.7399 ?        ?        290.2365 11.52234 0.000000       11.52234 
1 1 1 -10 24 20 o 45.60543 19.47058 0.1573446      92.04441 0.000000       0.000000 0.1573446      92.04441 ?        ?        45.60543 19.47058 0.000000       19.47058 
1 1 1 -10 24 21 o 321.5670 8.473606 3046.662       159.6657 0.000000       0.000000 3046.662       159.6657 ?        ?        321.5670 8.473606 0.000000       8.473606 
1 1 1 -10 24 22 o 302.1813 8.682252 2692.190       153.7092 0.000000       0.000000 2692.190       153.7092 ?        ?        302.1813 8.682252 0.000000       8.682252 
1 1 1 -10 24 23 f 330.0777 8.794199 3213.306       170.0889 0.000000       0.000000 3213.306       170.0889 ?        ?        330.0777 8.794199 0.000000       8.794199 
1 1 1 -10 24 24 o 165.7959 11.71748 818.0282       113.2013 0.000000       0.000000 818.0282       113.2013 ?        ?        165.7959 11.71748 0.000000       11.71748 
1 1 1 -10 24 25 o 388.5420 8.560772 4452.483       195.0749 3914.711       666.7219 4502.831       204.0023 349.5889 32.90596 390.6406 8.904454 -41.05170      34.08947 
1 1 1 -10 24 26 o 97.56635 17.43313 294.2853       96.09183 1298.969       503.2087 256.2630       97.89324 191.2612 45.52178 90.51263 19.04545 100.7485       49.34533 
1 1 1 -10 24 27 o 61.58539 22.59551 96.73004       106.8701 74.88087       508.3298 97.74043       109.3132 102.0421 44.65105 62.06829 22.83892 39.97382       50.15309 
1 1 1 -10 24 28 o 126.5455 17.18761 491.1346       124.2653 1549.194       496.9516 420.5642       128.3425 210.2792 41.76936 116.2002 19.52443 94.07896       46.10730 
1 1 1 -10 24 29 o 170.1443 13.82341 872.0436       136.7505 1421.988       584.4883 840.1962       140.6544 190.6051 51.20310 166.7587 14.52668 23.84639       53.22388 
1 1 1 -10 24 30 o 61.75866 21.05401 111.4748       91.37384 55.56156       518.6342 113.2659       92.82585 98.19219 43.91769 62.22459 21.22048 35.96760       48.77573 
1 1 1 -10 24 31 o 86.87436 18.69269 240.7858       92.41286 1048.424       508.2216 213.1687       93.97961 157.5474 49.42318 81.35825 19.87022 76.18912       53.26796 
1 1 1 -10 24 32 o 224.2090 9.012257 1497.154       118.2636 481.1595       538.7169 1548.596       121.2207 114.1722 47.83932 228.0065 9.083410 -113.8343      48.69403 
1 1 1 -10 24 33 o 144.9250 11.57165 635.4564       97.53698 408.1511       510.3809 644.0727       99.36841 107.4259 45.85589 145.8545 11.71502 -38.42863      47.32869 
1 1 1 -10 24 34 o 40.58886 18.12475 -24.41647      87.95820 41.74528       496.4449 -26.56069      89.37214 88.88288 40.98642 40.70802 18.21734 48.17487       44.85262 
1 1 1 -10 24 35 o 130.5775 13.42429 525.2933       101.3413 0.000000       0.000000 525.2933       101.3413 ?        ?        130.5775 13.42429 0.000000       13.42429 
1 1 1 -10 24 36 o 108.2916 15.82838 371.8293       97.55745 389.2492       523.0581 371.2015       99.29993 99.98757 44.45188 108.0279 16.16990 -8.040344      47.30153 
1 1 1 -10 24 37 f 46.47331 19.84662 17.34055       95.68163 -411.6451      504.9418 33.31766       97.44713 72.03008 35.29833 48.76926 20.38443 23.26081       40.76147 
1 1 1 -10 24 38 o 107.3262 16.88013 372.4977       102.7463 -60.57382      474.6498 393.7883       105.2416 78.50246 37.39313 110.4661 16.77091 -31.96368      40.98182 
1 1 1 -10 24 39 o 158.8406 12.03584 777.7722       111.2870 841.7493       428.9365 773.1548       115.2329 122.4834 45.21144 158.0434 12.53484 -35.56009      46.91691 
1 1 1 -10 24 40 o 108.0008 17.53883 384.3900       107.2831 -624.6494      466.0874 440.8418       110.2433 62.38710 31.14843 116.4110 16.61877 -54.02386      35.30451 
1 1 1 -10 24 41 o 104.0772 19.09780 365.9526       112.2762 35.39238       446.9837 388.2137       115.9952 76.78494 36.49306 107.2271 19.14792 -30.44216      41.21149 
1 1 1 -10 24 42 o 43.78756 19.56449 -11.18910      102.6446 -11.55125      130.5471 -10.60268      166.1212 48.60750 21.86366 53.73842 24.37012 -5.130924      32.74023 
1 1 1 -10 24 43 o 157.4850 13.59228 784.0619       124.3126 725.5302       165.7155 859.3888       187.9934 145.7191 19.91106 157.6944 20.83650 -11.97528      28.82031 
1 1 1 -10 25 1  o 149.4666 9.656399 660.5477       84.19366 0.000000       0.000000 660.5477       84.19366 ?        ?        149.4666 9.656399 0.000000       9.656399 
1 1 1 -10 25 2  o 279.8117 8.449409 2305.369       138.4985 0.000000       0.000000 2305.369       138.4985 ?        ?        279.8117 8.449409 0.000000       8.449409 
1 1 1 -10 25 3  o 265.7235 8.493628 2079.423       132.1952 0.000000       0.000000 2079.423       132.1952 ?        ?        265.7235 8.493628 0.000000       8.493628 
1 1 1 -10 25 4  o 334.1560 8.808353 3288.271       172.4708 0.000000       0.000000 3288.271       172.4708 ?        ?        334.1560 8.808353 0.000000       8.808353 
1 1 1 -10 25 5  o 582.0176 17.71150 10088.12       603.8602 10088.12       603.8602 0.000000       0.000000 582.0176 17.71150 ?        ?        0.000000       17.71150 
1 1 1 -10 25 6  o 294.0830 8.531273 2546.939       146.9857 0.000000       0.000000 2546.939       146.9857 ?        ?        294.0830 8.531273 0.000000       8.531273 
1 1 1 -10 25 7  o 219.2505 8.434519 1416.521       108.2532 0.000000       0.000000 1416.521       108.2532 ?        ?        219.2505 8.434519 0.000000       8.434519 
1 1 1 -10 25 8  o 175.4964 8.972602 909.0369       92.04354 0.000000       0.000000 909.0369       92.04354 ?        ?        175.4964 8.972602 0.000000       8.972602 
1 1 1 -10 25 9  o 308.3472 8.078960 2798.979       145.9727 0.000000       0.000000 2798.979       145.9727 ?        ?        308.3472 8.078960 0.000000       8.078960 
1 1 1 -10 25 10 o 154.9069 9.689133 709.7266       87.58423 0.000000       0.000000 709.7266       87.58423 ?        ?        154.9069 9.689133 0.000000       9.689133 
1 1 1 -10 25 11 o 93.35822 13.67465 263.3235       72.65253 0.000000       0.000000 263.3235       72.65253 ?        ?        93.35822 13.67465 0.000000       13.67465 
1 1 1 -10 25 12 o 134.3256 10.36411 535.1387       81.01625 0.000000       0.000000 535.1387       81.01625 ?        ?        134.3256 10.36411 0.000000       10.36411 
1 1 1 -10 25 13 o 142.4381 10.07768 601.0076       83.64196 0.000000       0.000000 601.0076       83.64196 ?        ?        142.4381 10.07768 0.000000       10.07768 
1 1 1 -10 25 14 o 56.93528 19.42171 89.68695       77.75680 0.000000       0.000000 89.68695       77.75680 ?        ?        56.93528 19.42171 0.000000       19.42171 
1 1 1 -10 25 15 o 134.8177 11.32330 540.1955       88.70384 0.000000       0.000000 540.1955       88.70384 ?        ?        134.8177 11.32330 0.000000       11.32330 
1 1 1 -10 25 16 o 35.88620 16.53222 -61.09049      80.49451 0.000000       0.000000 -61.09049      80.49451 ?        ?        35.88620 16.53222 0.000000       16.53222 
1 1 1 -10 25 17 o 311.3469 8.907091 2856.483       162.4742 0.000000       0.000000 2856.483       162.4742 ?        ?        311.3469 8.907091 0.000000       8.907091 
1 1 1 -10 25 18 f 157.3363 11.97402 735.5354       109.6593 0.000000       0.000000 735.5354       109.6593 ?        ?        157.3363 11.97402 0.000000       11.97402 
1 1 1 -10 25 19 o 233.2627 9.082814 1605.200       124.0182 0.000000       0.000000 1605.200       124.0182 ?        ?        233.2627 9.082814 0.000000       9.082814 
1 1 1 -10 25 20 o 118.9537 14.26923 425.6552       97.56264 0.000000       0.000000 425.6552       97.56264 ?        ?        118.9537 14.26923 0.000000       14.26923 
1 1 1 -10 25 21 o 143.8658 12.13048 616.7501       101.3969 0.000000       0.000000 616.7501       101.3969 ?        ?        143.8658 12.13048 0.000000       12.13048 
1 1 1 -10 25 22 o 232.5088 9.066888 1596.443       123.3999 0.000000       0.000000 1596.443       123.3999 ?        ?        232.5088 9.066888 0.000000       9.066888 
1 1 1 -10 25 23 o 206.8051 10.07127 1266.548       121.7834 0.000000       0.000000 1266.548       121.7834 ?        ?        206.8051 10.07127 0.000000       10.07127 
1 1 1 -10 25 24 o 140.7942 12.84894 593.6616       104.9288 0.000000       0.000000 593.6616       104.9288 ?        ?        140.7942 12.84894 0.000000       12.84894 
1 1 1 -10 25 25 o 383.5565 10.41581 4357.218       234.0836 0.000000       0.000000 4357.218       234.0836 ?        ?        383.5565 10.41581 0.000000       10.41581 
1 1 1 -10 25 26 o 58.89515 22.68468 75.16460       110.6101 0.000000       0.000000 75.16460       110.6101 ?        ?        58.89515 22.68468 0.000000       22.68468 
1 1 1 -10 25 27 o 183.7969 12.61800 1010.721       135.1875 1795.791       562.9495 962.6770       139.2626 224.3349 44.36037 179.1414 13.35126 45.19359       46.32601 
1 1 1 -10 25 28 o 54.90577 22.98199 27.48805       124.1295 1348.888       554.6356 -42.18837      127.3601 186.7361 49.75137 48.66171 21.76404 138.0744       54.30352 
1 1 1 -10 25 29 o 32.32640 15.99071 -245.1443      112.0197 -180.3480      482.4631 -248.8365      115.1670 86.00830 39.92068 32.89653 16.26199 53.11177       43.10584 
1 1 1 -10 25 30 o 133.5121 17.03193 552.8773       130.3307 0.000000       0.000000 552.8773       130.3307 ?        ?        133.5121 17.03193 0.000000       17.03193 
1 1 1 -10 25 31 o 160.6084 11.38798 776.9122       106.5712 1331.345       549.8594 755.2723       108.6311 172.6456 50.86794 158.1944 11.79366 14.45117       52.21722 
1 1 1 -10 25 32 o 40.71061 18.14568 -24.00998      87.73832 493.3337       497.0285 -40.64961      89.13815 112.0394 46.36613 39.36588 17.85199 72.67350       49.68411 
1 1 1 -10 25 33 o 117.6036 14.65834 429.2872       98.91241 -498.2006      515.4622 464.7448       100.7854 74.09944 36.17382 122.5875 14.28589 -48.48802      38.89257 
1 1 1 -10 25 34 o 137.9190 13.21074 584.3472       105.5520 -16.75029      517.4189 610.4479       107.8193 86.71109 40.60811 140.9982 13.19179 -54.28709      42.69709 
1 1 1 -10 25 35 o 161.4927 11.69284 794.5745       109.9948 405.0321       505.9454 813.8994       112.6901 100.9567 44.35022 163.3761 11.84144 -62.41944      45.90384 
1 1 1 -10 25 36 o 162.2344 11.39160 802.4866       107.6984 628.0464       502.7500 810.8766       110.2579 109.9442 46.15081 162.9631 11.61248 -53.01888      47.58936 
1 1 1 -10 25 37 o 117.4349 15.51526 438.4100       104.2462 779.1086       529.0848 424.6495       106.3306 114.9647 47.73061 115.1694 16.18863 -0.2047119     50.40121 
1 1 1 -10 25 38 f 32.99357 15.95756 -131.1591      94.23718 -197.6790      492.4680 -128.6308      96.01142 74.45121 36.12023 33.57821 16.20762 40.87300       39.58987 
1 1 1 -10 25 39 o 33.95174 16.32459 -117.7483      95.19249 -697.5911      462.0768 -92.04901      97.27914 60.98400 30.53240 36.17643 17.14418 24.80757       35.01643 
1 1 1 -10 25 40 o 68.40578 22.18367 163.4774       101.7191 -385.2181      535.0364 184.0532       103.6088 70.46221 34.87174 72.11015 22.26735 -1.647934      41.37479 
1 1 1 -10 25 41 o 87.26814 22.17202 273.2400       113.6874 -172.7662      513.9454 296.1867       116.5753 72.88464 35.69514 91.03217 22.06743 -18.14752      41.96564 
1 1 1 -10 25 42 o 44.16304 21.06463 -128.2058      151.6783 -3.202430      394.6569 -149.8699      164.2969 71.71903 34.14364 45.05737 21.60737 26.66166       40.40627 
1 1 1 -10 26 1  o 333.6798 9.482933 3281.852       185.3884 4154.456       388.1884 3024.029       211.0062 373.1354 17.79010 319.9524 11.26256 53.18298       21.05547 
1 1 1 -10 26 2  o 184.3004 9.168837 1002.554       98.79278 0.000000       0.000000 1002.554       98.79278 ?        ?        184.3004 9.168837 0.000000       9.168837 
1 1 1 -10 26 3  o 309.5786 8.690413 2822.956       157.6275 0.000000       0.000000 2822.956       157.6275 ?        ?        309.5786 8.690413 0.000000       8.690413 
1 1 1 -10 26 4  o 110.7235 12.41211 366.6604       79.21438 0.000000       0.000000 366.6604       79.21438 ?        ?        110.7235 12.41211 0.000000       12.41211 
1 1 1 -10 26 5  o 62.80977 19.61155 117.2285       80.11939 0.000000       0.000000 117.2285       80.11939 ?        ?        62.80977 19.61155 0.000000       19.61155 
1 1 1 -10 26 6  o 488.7579 9.317266 7035.723       267.0747 6725.328       493.7775 7164.081       317.5305 474.8157 17.76323 492.7760 10.98716 -17.96033      20.88660 
1 1 1 -10 26 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 26 8  o 36.20445 16.12592 -26.26777      69.16848 -305.9644      353.8906 -15.15860      70.52874 71.84678 33.62642 37.98729 16.62685 33.85949       37.51251 
1 1 1 -10 26 9  o 365.2281 8.780120 3927.065       188.0681 0.000000       0.000000 3927.065       188.0681 ?        ?        365.2281 8.780120 0.000000       8.780120 
1 1 1 -10 26 10 f 136.3432 14.87452 557.6279       117.0130 0.000000       0.000000 557.6279       117.0130 ?        ?        136.3432 14.87452 0.000000       14.87452 
1 1 1 -10 26 11 o 120.3517 12.36406 432.4744       86.03002 0.000000       0.000000 432.4744       86.03002 ?        ?        120.3517 12.36406 0.000000       12.36406 
1 1 1 -10 26 12 o 114.1283 12.18414 389.1330       80.29288 0.000000       0.000000 389.1330       80.29288 ?        ?        114.1283 12.18414 0.000000       12.18414 
1 1 1 -10 26 13 o 113.6093 12.96197 386.5532       84.82115 0.000000       0.000000 386.5532       84.82115 ?        ?        113.6093 12.96197 0.000000       12.96197 
1 1 1 -10 26 14 o 136.8600 12.20333 557.7221       96.92379 0.000000       0.000000 557.7221       96.92379 ?        ?        136.8600 12.20333 0.000000       12.20333 
1 1 1 -10 26 15 o 252.6353 12.24786 1890.334       180.9292 0.000000       0.000000 1890.334       180.9292 ?        ?        252.6353 12.24786 0.000000       12.24786 
1 1 1 -10 26 16 o 329.7964 9.789196 3208.308       189.1309 0.000000       0.000000 3208.308       189.1309 ?        ?        329.7964 9.789196 0.000000       9.789196 
1 1 1 -10 26 17 o 42.80433 18.76905 -19.83828      90.23469 0.000000       0.000000 -19.83828      90.23469 ?        ?        42.80433 18.76905 0.000000       18.76905 
1 1 1 -10 26 18 o 138.6528 12.60253 573.4077       101.3609 0.000000       0.000000 573.4077       101.3609 ?        ?        138.6528 12.60253 0.000000       12.60253 
1 1 1 -10 26 19 o 246.7586 10.42677 1800.530       150.5542 0.000000       0.000000 1800.530       150.5542 ?        ?        246.7586 10.42677 0.000000       10.42677 
1 1 1 -10 26 20 o 93.56396 18.99938 271.6751       100.6920 0.000000       0.000000 271.6751       100.6920 ?        ?        93.56396 18.99938 0.000000       18.99938 
1 1 1 -10 26 21 o 58.15549 21.25060 84.72875       94.37932 0.000000       0.000000 84.72875       94.37932 ?        ?        58.15549 21.25060 0.000000       21.25060 
1 1 1 -10 26 22 o 154.2259 12.18695 709.6947       109.3355 0.000000       0.000000 709.6947       109.3355 ?        ?        154.2259 12.18695 0.000000       12.18695 
1 1 1 -10 26 23 o 50.56574 20.95119 24.84086       101.6525 0.000000       0.000000 24.84086       101.6525 ?        ?        50.56574 20.95119 0.000000       20.95119 
1 1 1 -10 26 24 o 146.2734 13.03779 641.4865       110.6748 0.000000       0.000000 641.4865       110.6748 ?        ?        146.2734 13.03779 0.000000       13.03779 
1 1 1 -10 26 25 o 270.9232 10.78097 2178.743       170.9569 0.000000       0.000000 2178.743       170.9569 ?        ?        270.9232 10.78097 0.000000       10.78097 
1 1 1 -10 26 26 o 124.1650 15.36378 469.3483       109.4942 0.000000       0.000000 469.3483       109.4942 ?        ?        124.1650 15.36378 0.000000       15.36378 
1 1 1 -10 26 27 o 90.52987 20.02315 260.1216       103.4871 0.000000       0.000000 260.1216       103.4871 ?        ?        90.52987 20.02315 0.000000       20.02315 
1 1 1 -10 26 28 o 170.3452 11.46891 869.0549       113.9106 0.000000       0.000000 869.0549       113.9106 ?        ?        170.3452 11.46891 0.000000       11.46891 
1 1 1 -10 26 29 o 373.6552 8.590069 4139.744       188.2427 3735.986       622.1954 4180.425       197.4985 330.6924 32.50076 375.2983 8.972981 -44.60593      33.71666 
1 1 1 -10 26 30 o 263.0334 8.684340 2057.445       133.7835 1432.426       518.8700 2101.955       138.4652 184.4323 47.63718 265.7754 8.895854 -81.34312      48.46067 
1 1 1 -10 26 31 o 58.18627 23.17789 72.22796       118.7827 0.000000       0.000000 72.22796       118.7827 ?        ?        58.18627 23.17789 0.000000       23.17789 
1 1 1 -10 26 32 f 108.0591 15.97910 366.9700       98.21664 1547.592       504.7250 320.5039       100.1308 189.4502 45.91227 100.1147 17.70108 89.33542       49.20635 
1 1 1 -10 26 33 o 88.08848 19.60958 255.1998       98.70097 283.6410       542.5640 254.2263       100.3758 99.01424 44.55142 87.76968 19.95340 11.24456       48.81565 
1 1 1 -10 26 34 o 119.1687 15.13685 445.7186       103.4072 537.3568       476.8792 441.1972       105.9275 108.0488 45.12294 118.2938 15.65223 -10.24498      47.76056 
1 1 1 -10 26 35 o 79.39655 20.65755 213.4383       97.09556 -292.7405      473.0857 235.6977       99.20750 73.10435 35.45165 83.57159 20.41823 -10.46725      40.91117 
1 1 1 -10 26 36 o 61.47916 21.36787 120.5628       94.26759 294.9794       523.7414 114.7233       95.83266 92.93024 42.57474 60.55979 21.50464 32.37045       47.69757 
1 1 1 -10 26 37 f 56.77679 21.44987 92.54704       97.67814 320.9380       524.6908 84.34760       99.41605 91.93974 42.30195 55.70579 21.49302 36.23394       47.44897 
1 1 1 -10 26 38 o 74.96690 21.96782 197.3356       102.7883 -614.2594      492.0981 234.3608       105.1067 64.63367 32.22860 81.78223 21.59757 -17.14857      38.79611 
1 1 1 -10 26 39 o 147.5099 13.21197 681.3035       113.0891 -259.5782      561.4338 721.0930       115.4555 74.30231 36.57302 151.8694 13.09029 -77.56704      38.84509 
1 1 1 -10 26 40 o 80.04297 22.51173 231.0621       110.0781 -37.14825      518.1510 243.7392       112.6495 76.56711 37.12405 82.12595 22.65384 -5.558846      43.49014 
1 1 1 -10 26 41 o 231.0476 10.67410 1637.104       144.2475 1011.939       478.3427 1699.641       151.2903 120.8463 47.00293 235.1070 11.00275 -114.2607      48.27356 
1 1 1 -10 26 42 o 40.34667 19.06100 -90.62280      118.4908 145.0152       437.4865 -109.2768      123.0916 77.57549 36.64198 40.05048 19.06742 37.52501       41.30619 
1 1 1 -10 27 1  o 130.0740 11.88070 503.7440       89.63274 0.000000       0.000000 503.7440       89.63274 ?        ?        130.0740 11.88070 0.000000       11.88070 
1 1 1 -10 27 2  o 261.6787 8.205099 2016.789       125.7667 2283.854       318.9368 1967.615       136.8564 275.6597 19.86104 258.3434 9.046656 17.31635       21.82437 
1 1 1 -10 27 3  o 357.1778 9.314713 3760.059       194.9547 0.000000       0.000000 3760.059       194.9547 ?        ?        357.1778 9.314713 0.000000       9.314713 
1 1 1 -10 27 4  o 337.3414 9.084862 3353.495       179.5738 0.000000       0.000000 3353.495       179.5738 ?        ?        337.3414 9.084862 0.000000       9.084862 
1 1 1 -10 27 5  o 336.5986 9.192104 3339.181       181.2888 0.000000       0.000000 3339.181       181.2888 ?        ?        336.5986 9.192104 0.000000       9.192104 
1 1 1 -10 27 6  o 230.5774 8.915490 1567.687       120.3354 0.000000       0.000000 1567.687       120.3354 ?        ?        230.5774 8.915490 0.000000       8.915490 
1 1 1 -10 27 7  o 163.2995 10.41552 789.4493       99.23087 1807.791       402.3240 723.4875       102.3942 241.6639 28.96287 156.1717 11.25500 85.49217       31.07287 
1 1 1 -10 27 8  o 136.1166 12.63418 552.3274       99.70640 0.000000       0.000000 552.3274       99.70640 ?        ?        136.1166 12.63418 0.000000       12.63418 
1 1 1 -10 27 9  f 128.5921 37.13244 532.9869       295.6205 482.1087       396.7156 596.5133       443.2923 125.9384 43.83109 137.1633 46.37811 -11.22488      63.81295 
1 1 1 -10 27 10 o 142.4450 12.46340 604.1759       103.0722 0.000000       0.000000 604.1759       103.0722 ?        ?        142.4450 12.46340 0.000000       12.46340 
1 1 1 -10 27 11 o 34.99485 16.40386 -85.25625      84.76463 0.000000       0.000000 -85.25625      84.76463 ?        ?        34.99485 16.40386 0.000000       16.40386 
1 1 1 -10 27 12 o 277.3158 8.850488 2266.421       143.7593 0.000000       0.000000 2266.421       143.7593 ?        ?        277.3158 8.850488 0.000000       8.850488 
1 1 1 -10 27 13 o 182.9861 10.54702 990.7417       112.7079 0.000000       0.000000 990.7417       112.7079 ?        ?        182.9861 10.54702 0.000000       10.54702 
1 1 1 -10 27 14 o 258.9828 9.675296 1979.251       146.6971 0.000000       0.000000 1979.251       146.6971 ?        ?        258.9828 9.675296 0.000000       9.675296 
1 1 1 -10 27 15 o 267.6989 9.024814 2113.118       141.4861 0.000000       0.000000 2113.118       141.4861 ?        ?        267.6989 9.024814 0.000000       9.024814 
1 1 1 -10 27 16 f 162.9520 12.26547 789.6362       116.3576 0.000000       0.000000 789.6362       116.3576 ?        ?        162.9520 12.26547 0.000000       12.26547 
1 1 1 -10 27 17 o 217.7657 9.821960 1401.510       125.1178 0.000000       0.000000 1401.510       125.1178 ?        ?        217.7657 9.821960 0.000000       9.821960 
1 1 1 -10 27 18 f 240.5231 9.596377 1709.073       135.0959 0.000000       0.000000 1709.073       135.0959 ?        ?        240.5231 9.596377 0.000000       9.596377 
1 1 1 -10 27 19 o 176.9588 10.86270 929.0448       112.1921 0.000000       0.000000 929.0448       112.1921 ?        ?        176.9588 10.86270 0.000000       10.86270 
1 1 1 -10 27 20 o 175.8007 10.94063 917.8015       112.2421 0.000000       0.000000 917.8015       112.2421 ?        ?        175.8007 10.94063 0.000000       10.94063 
1 1 1 -10 27 21 o 130.9590 14.24136 516.7036       107.6204 0.000000       0.000000 516.7036       107.6204 ?        ?        130.9590 14.24136 0.000000       14.24136 
1 1 1 -10 27 22 o 92.47652 20.72381 269.4047       109.6065 0.000000       0.000000 269.4047       109.6065 ?        ?        92.47652 20.72381 0.000000       20.72381 
1 1 1 -10 27 23 o 193.3709 10.73873 1111.011       121.3069 0.000000       0.000000 1111.011       121.3069 ?        ?        193.3709 10.73873 0.000000       10.73873 
1 1 1 -10 27 24 o 110.6752 19.44537 381.7369       121.6130 0.000000       0.000000 381.7369       121.6130 ?        ?        110.6752 19.44537 0.000000       19.44537 
1 1 1 -10 27 25 o 303.1743 9.226727 2721.632       163.8645 0.000000       0.000000 2721.632       163.8645 ?        ?        303.1743 9.226727 0.000000       9.226727 
1 1 1 -10 27 26 o 181.2300 11.42613 981.3365       120.8269 0.000000       0.000000 981.3365       120.8269 ?        ?        181.2300 11.42613 0.000000       11.42613 
1 1 1 -10 27 27 o 47.70920 20.17752 13.68857       97.26124 0.000000       0.000000 13.68857       97.26124 ?        ?        47.70920 20.17752 0.000000       20.17752 
1 1 1 -10 27 28 o 71.97069 24.11046 160.9545       119.8161 0.000000       0.000000 160.9545       119.8161 ?        ?        71.97069 24.11046 0.000000       24.11046 
1 1 1 -10 27 29 o 91.85506 18.40240 269.9763       95.67744 0.000000       0.000000 269.9763       95.67744 ?        ?        91.85506 18.40240 0.000000       18.40240 
1 1 1 -10 27 30 o 190.1891 13.12040 1100.499       145.4499 0.000000       0.000000 1100.499       145.4499 ?        ?        190.1891 13.12040 0.000000       13.12040 
1 1 1 -10 27 31 o 245.4847 9.139510 1800.328       131.3527 3869.583       644.0910 1710.534       134.1724 324.9205 34.31813 239.0537 9.589575 85.86678       35.63277 
1 1 1 -10 27 32 o 65.89655 21.69522 139.3103       97.11510 147.4161       541.2563 139.0407       98.71712 93.66752 43.04850 65.91904 21.88032 27.74847       48.28998 
1 1 1 -10 27 33 o 192.4812 10.54121 1119.266       118.5409 821.3336       532.1825 1134.820       121.5958 123.4377 49.09605 193.7070 10.74553 -70.26929      50.25822 
1 1 1 -10 27 34 o 59.92950 21.80620 107.8934       99.22697 661.7523       526.9921 87.53579       101.0341 111.4460 47.04232 56.90048 21.74011 54.54552       51.82290 
1 1 1 -10 27 35 o 36.99586 17.24268 -66.96898      91.47054 -226.4347      566.0681 -62.69351      92.68864 78.97196 38.40814 37.64584 17.48163 41.32612       42.19944 
1 1 1 -10 27 36 o 60.93127 21.76275 117.5762       98.28275 1172.038       569.9451 85.25935       99.77746 132.3920 51.35853 55.91020 21.54256 76.48181       55.69363 
1 1 1 -10 27 37 o 94.53564 20.07478 304.6218       107.8580 205.7083       500.8333 309.4324       110.4496 85.96840 40.15970 95.07677 20.41776 -9.108376      45.05204 
1 1 1 -10 27 38 o 54.69817 22.02160 73.08913       108.4098 -145.7267      530.3722 82.63003       110.7480 75.62524 36.86913 56.23598 22.38708 19.38925       43.13367 
1 1 1 -10 27 39 o 69.41018 23.18239 170.9014       110.7808 -63.28042      497.0829 183.1405       113.6389 75.34048 36.48946 71.44662 23.46570 3.893867       43.38340 
1 1 1 -10 27 40 o 83.01317 24.54071 258.1528       127.8018 -451.5596      468.8210 315.1269       132.8326 64.37511 31.99403 92.06429 24.26390 -27.68918      40.15414 
1 1 1 -10 27 41 o 76.15664 24.15712 216.2422       121.1044 -192.5900      437.3478 250.1936       126.0327 67.89915 33.18433 81.52684 24.43645 -13.62769      41.21092 
1 1 1 -10 28 1  o 447.7061 8.841431 5900.900       232.1486 7434.035       508.9123 5498.044       260.8721 499.4082 17.40207 431.8502 10.30016 67.55801       20.22190 
1 1 1 -10 28 2  o 310.5079 9.559379 2842.980       173.8742 0.000000       0.000000 2842.980       173.8742 ?        ?        310.5079 9.559379 0.000000       9.559379 
1 1 1 -10 28 3  o 123.5380 13.60402 457.0117       96.93428 0.000000       0.000000 457.0117       96.93428 ?        ?        123.5380 13.60402 0.000000       13.60402 
1 1 1 -10 28 4  o 182.8221 9.964284 987.9204       106.4340 1739.395       342.6175 907.6547       111.9740 238.6865 24.83836 175.0658 10.96100 63.62073       27.14936 
1 1 1 -10 28 5  o 38.57887 17.72396 -65.88737      91.63550 0.000000       0.000000 -65.88737      91.63550 ?        ?        38.57887 17.72396 0.000000       17.72396 
1 1 1 -10 28 6  o 217.7102 9.923591 1399.669       126.3731 0.000000       0.000000 1399.669       126.3731 ?        ?        217.7102 9.923591 0.000000       9.923591 
1 1 1 -10 28 7  o 113.5415 15.00929 388.7325       97.50034 1026.800       435.2193 355.0173       100.0431 175.9997 42.62228 108.1537 16.27634 67.84595       45.62431 
1 1 1 -10 28 8  o 314.1684 9.576035 2910.450       176.2347 0.000000       0.000000 2910.450       176.2347 ?        ?        314.1684 9.576035 0.000000       9.576035 
1 1 1 -10 28 9  o 138.2481 13.92687 571.5266       111.3808 0.000000       0.000000 571.5266       111.3808 ?        ?        138.2481 13.92687 0.000000       13.92687 
1 1 1 -10 28 10 o 278.3030 12.67282 2294.635       206.3007 0.000000       0.000000 2294.635       206.3007 ?        ?        278.3030 12.67282 0.000000       12.67282 
1 1 1 -10 28 11 o 122.0822 46.49663 394.8265       461.2180 0.000000       0.000000 394.8265       461.2180 ?        ?        122.0822 46.49663 0.000000       46.49663 
1 1 1 -10 28 12 o 297.6943 9.206165 2612.993       160.5379 0.000000       0.000000 2612.993       160.5379 ?        ?        297.6943 9.206165 0.000000       9.206165 
1 1 1 -10 28 13 f 49.67579 19.73448 40.36475       85.88554 0.000000       0.000000 40.36475       85.88554 ?        ?        49.67579 19.73448 0.000000       19.73448 
1 1 1 -10 28 14 o 193.2547 10.36479 1105.069       117.0440 0.000000       0.000000 1105.069       117.0440 ?        ?        193.2547 10.36479 0.000000       10.36479 
1 1 1 -10 28 15 o 164.9358 11.47547 807.8999       110.3110 0.000000       0.000000 807.8999       110.3110 ?        ?        164.9358 11.47547 0.000000       11.47547 
1 1 1 -10 28 16 o 356.0870 10.00868 3744.902       208.8105 0.000000       0.000000 3744.902       208.8105 ?        ?        356.0870 10.00868 0.000000       10.00868 
1 1 1 -10 28 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 28 18 o 404.1341 9.505658 4821.083       225.2984 0.000000       0.000000 4821.083       225.2984 ?        ?        404.1341 9.505658 0.000000       9.505658 
1 1 1 -10 28 19 o 216.9856 10.38901 1395.390       131.8233 0.000000       0.000000 1395.390       131.8233 ?        ?        216.9856 10.38901 0.000000       10.38901 
1 1 1 -10 28 20 o 157.0344 12.47136 736.8112       113.9147 0.000000       0.000000 736.8112       113.9147 ?        ?        157.0344 12.47136 0.000000       12.47136 
1 1 1 -10 28 21 o 137.8619 13.92168 572.1361       111.0201 0.000000       0.000000 572.1361       111.0201 ?        ?        137.8619 13.92168 0.000000       13.92168 
1 1 1 -10 28 22 o 194.0030 10.98201 1119.256       124.4410 0.000000       0.000000 1119.256       124.4410 ?        ?        194.0030 10.98201 0.000000       10.98201 
1 1 1 -10 28 23 o 101.8356 20.77304 327.3044       119.8574 0.000000       0.000000 327.3044       119.8574 ?        ?        101.8356 20.77304 0.000000       20.77304 
1 1 1 -10 28 24 f 111.9577 19.47680 392.2517       123.2441 0.000000       0.000000 392.2517       123.2441 ?        ?        111.9577 19.47680 0.000000       19.47680 
1 1 1 -10 28 25 o 174.8805 11.62649 915.1571       118.5679 0.000000       0.000000 915.1571       118.5679 ?        ?        174.8805 11.62649 0.000000       11.62649 
1 1 1 -10 28 26 o 51.76594 20.65847 48.75039       94.53547 0.000000       0.000000 48.75039       94.53547 ?        ?        51.76594 20.65847 0.000000       20.65847 
1 1 1 -10 28 27 o 200.2091 12.06437 1206.556       141.0001 0.000000       0.000000 1206.556       141.0001 ?        ?        200.2091 12.06437 0.000000       12.06437 
1 1 1 -10 28 28 o 43.33982 19.61402 -44.40966      106.9439 0.000000       0.000000 -44.40966      106.9439 ?        ?        43.33982 19.61402 0.000000       19.61402 
1 1 1 -10 28 29 o 119.7700 15.11336 445.2686       103.8006 0.000000       0.000000 445.2686       103.8006 ?        ?        119.7700 15.11336 0.000000       15.11336 
1 1 1 -10 28 30 o 74.48635 21.38561 183.6342       98.32101 0.000000       0.000000 183.6342       98.32101 ?        ?        74.48635 21.38561 0.000000       21.38561 
1 1 1 -10 28 31 o 94.45249 19.02698 291.0096       101.7506 0.000000       0.000000 291.0096       101.7506 ?        ?        94.45249 19.02698 0.000000       19.02698 
1 1 1 -10 28 32 o 192.9188 11.07488 1127.897       124.7772 0.000000       0.000000 1127.897       124.7772 ?        ?        192.9188 11.07488 0.000000       11.07488 
1 1 1 -10 28 33 o 156.2272 12.23287 748.5308       111.1888 1340.216       613.5466 728.4390       113.0608 145.5753 54.01081 153.8789 12.63933 -8.303619      55.47000 
1 1 1 -10 28 34 o 65.65486 21.92214 142.6500       99.06469 -256.2045      587.4599 154.3242       100.5040 79.29967 38.69173 67.79003 22.05577 11.50964       44.53658 
1 1 1 -10 28 35 o 51.01172 20.85025 51.43456       98.89713 31.75461       613.3319 51.95990       100.2084 85.49071 41.18963 51.28254 20.97767 34.20817       46.22389 
1 1 1 -10 28 36 o 99.95486 19.75677 338.0916       111.7094 -303.3650      590.1414 361.9303       113.7662 75.90192 37.38673 103.7338 19.41342 -27.83185      42.12658 
1 1 1 -10 28 37 o 73.42513 23.90534 193.2664       118.0565 598.5618       586.7808 176.1684       120.5210 98.52814 45.11117 70.61604 24.17734 27.91210       51.18166 
1 1 1 -10 28 38 o 125.2782 16.80327 513.2689       120.3478 46.43073       526.0744 539.0496       123.6262 79.41051 38.23159 128.4082 16.81998 -48.99767      41.76800 
1 1 1 -10 28 39 o 51.42228 22.19773 32.96325       122.1342 255.5831       457.9375 15.91530       126.7244 83.15855 38.69813 50.42374 22.17203 32.73481       44.59982 
1 1 1 -10 28 40 o 47.90793 21.56005 -11.67499      127.1302 -598.3875      445.3195 40.38452       132.6505 59.89364 29.98462 53.44746 23.10300 6.446182       37.85268 
1 1 1 -10 29 1  o 237.8244 13.93809 1680.298       193.5540 1262.676       340.3755 1879.877       235.3009 201.2280 29.73606 251.0805 16.06365 -49.85246      33.79755 
1 1 1 -10 29 2  o 212.5371 9.999211 1334.174       124.2887 2011.615       362.6537 1244.014       132.3012 257.0672 24.34449 205.0496 11.04229 52.01762       26.73175 
1 1 1 -10 29 3  o 410.7395 18.89508 5046.289       453.9423 5046.289       453.9423 0.000000       0.000000 410.7395 18.89508 ?        ?        0.000000       18.89508 
1 1 1 -10 29 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 29 5  o 627.7109 12.48842 11646.46       459.7458 13390.47       804.2288 10799.86       560.3306 668.2753 20.54423 602.8029 15.86339 65.47241       25.95597 
1 1 1 -10 29 6  o 178.6884 11.96998 947.3577       124.7177 0.000000       0.000000 947.3577       124.7177 ?        ?        178.6884 11.96998 0.000000       11.96998 
1 1 1 -10 29 7  o 162.8217 12.21960 787.7556       115.8350 1265.083       431.0701 750.6064       120.2582 197.3956 38.61944 158.7695 13.02961 38.62607       40.75822 
1 1 1 -10 29 8  o 224.0117 13.45271 1490.771       175.9241 1088.892       442.2683 1566.312       191.7466 181.1035 42.39317 229.4422 14.32105 -48.33870      44.74677 
1 1 1 -10 29 9  o 108.3282 15.39717 355.1902       95.06950 -113.4135      434.2548 378.7803       97.43308 89.65761 40.13723 111.9678 15.23218 -22.31017      42.93037 
1 1 1 -10 29 10 o 216.0206 10.22077 1379.345       129.1207 0.000000       0.000000 1379.345       129.1207 ?        ?        216.0206 10.22077 0.000000       10.22077 
1 1 1 -10 29 11 o 227.3523 9.979380 1527.252       132.7376 0.000000       0.000000 1527.252       132.7376 ?        ?        227.3523 9.979380 0.000000       9.979380 
1 1 1 -10 29 12 o 82.49427 19.38262 211.9754       92.17427 0.000000       0.000000 211.9754       92.17427 ?        ?        82.49427 19.38262 0.000000       19.38262 
1 1 1 -10 29 13 o 334.1546 23.42856 3400.955       456.2290 0.000000       0.000000 3400.955       456.2290 ?        ?        334.1546 23.42856 0.000000       23.42856 
1 1 1 -10 29 14 o 200.1752 10.08572 1185.700       118.0229 0.000000       0.000000 1185.700       118.0229 ?        ?        200.1752 10.08572 0.000000       10.08572 
1 1 1 -10 29 15 o 105.4446 16.79575 340.0627       100.3851 0.000000       0.000000 340.0627       100.3851 ?        ?        105.4446 16.79575 0.000000       16.79575 
1 1 1 -10 29 16 o 306.6107 10.15037 2780.668       182.2723 0.000000       0.000000 2780.668       182.2723 ?        ?        306.6107 10.15037 0.000000       10.15037 
1 1 1 -10 29 17 o 105.2201 17.84229 341.1758       106.1737 0.000000       0.000000 341.1758       106.1737 ?        ?        105.2201 17.84229 0.000000       17.84229 
1 1 1 -10 29 18 o 105.4636 16.46202 340.7484       98.49599 0.000000       0.000000 340.7484       98.49599 ?        ?        105.4636 16.46202 0.000000       16.46202 
1 1 1 -10 29 19 o 173.2459 11.10528 892.9706       112.2406 0.000000       0.000000 892.9706       112.2406 ?        ?        173.2459 11.10528 0.000000       11.10528 
1 1 1 -10 29 20 o 99.86888 17.37531 308.3345       98.07455 0.000000       0.000000 308.3345       98.07455 ?        ?        99.86888 17.37531 0.000000       17.37531 
1 1 1 -10 29 21 o 36.77277 17.26542 -93.77551      94.56152 0.000000       0.000000 -93.77551      94.56152 ?        ?        36.77277 17.26542 0.000000       17.26542 
1 1 1 -10 29 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 29 23 f 251.1845 11.29452 1880.566       165.9583 0.000000       0.000000 1880.566       165.9583 ?        ?        251.1845 11.29452 0.000000       11.29452 
1 1 1 -10 29 24 o 40.63180 18.67649 -66.66547      101.9263 0.000000       0.000000 -66.66547      101.9263 ?        ?        40.63180 18.67649 0.000000       18.67649 
1 1 1 -10 29 25 o 65.31974 21.92146 129.1069       99.04308 0.000000       0.000000 129.1069       99.04308 ?        ?        65.31974 21.92146 0.000000       21.92146 
1 1 1 -10 29 26 o 108.9589 16.00570 369.4994       99.23289 0.000000       0.000000 369.4994       99.23289 ?        ?        108.9589 16.00570 0.000000       16.00570 
1 1 1 -10 29 27 o 76.55164 23.29685 192.5649       113.9337 0.000000       0.000000 192.5649       113.9337 ?        ?        76.55164 23.29685 0.000000       23.29685 
1 1 1 -10 29 28 o 146.0730 15.29924 660.8554       129.1241 0.000000       0.000000 660.8554       129.1241 ?        ?        146.0730 15.29924 0.000000       15.29924 
1 1 1 -10 29 29 o 151.3152 12.66989 698.6361       111.4048 0.000000       0.000000 698.6361       111.4048 ?        ?        151.3152 12.66989 0.000000       12.66989 
1 1 1 -10 29 30 o 119.4623 18.39046 458.6825       124.7199 0.000000       0.000000 458.6825       124.7199 ?        ?        119.4623 18.39046 0.000000       18.39046 
1 1 1 -10 29 31 o 76.20115 22.49371 197.3687       107.4356 0.000000       0.000000 197.3687       107.4356 ?        ?        76.20115 22.49371 0.000000       22.49371 
1 1 1 -10 29 32 o 92.04628 20.59310 285.4616       108.3830 0.000000       0.000000 285.4616       108.3830 ?        ?        92.04628 20.59310 0.000000       20.59310 
1 1 1 -10 29 33 o 46.48253 20.29825 3.220478       104.5851 0.000000       0.000000 3.220478       104.5851 ?        ?        46.48253 20.29825 0.000000       20.29825 
1 1 1 -10 29 34 o 139.5227 14.18050 611.1005       114.4241 0.000000       0.000000 611.1005       114.4241 ?        ?        139.5227 14.18050 0.000000       14.18050 
1 1 1 -10 29 35 o 34.97235 16.96356 -153.1986      108.4789 -273.9948      582.2798 -148.8553      110.4119 76.16688 37.44244 35.63947 17.24585 40.52741       41.22324 
1 1 1 -10 29 36 o 47.43983 20.90433 3.161968       113.2044 254.6410       614.8838 -5.661067      115.1731 87.97584 42.08493 46.93734 20.86348 41.03850       46.97261 
1 1 1 -10 29 37 o 101.3217 20.51608 354.6451       117.7260 828.6268       552.7866 332.1260       120.4902 107.4381 46.79556 97.09190 21.70602 10.34622       51.58464 
1 1 1 -10 29 38 o 129.1260 17.53559 552.3347       129.3674 -23.84582      480.2279 597.4196       134.3334 74.90779 36.17913 134.4182 17.45183 -59.51041      40.16834 
1 1 1 -10 29 39 o 128.1370 17.74829 546.7579       129.8003 172.9312       443.4780 581.7825       135.7448 79.35180 37.29883 132.0037 18.00289 -52.65189      41.41627 
1 1 1 -10 30 1  o 272.7092 9.628711 2194.308       153.7575 1777.671       330.3486 2309.526       173.7218 241.5973 23.61594 279.6033 10.61331 -38.00600      25.89121 
1 1 1 -10 30 2  o 163.4917 12.92808 795.6282       122.9513 0.000000       0.000000 795.6282       122.9513 ?        ?        163.4917 12.92808 0.000000       12.92808 
1 1 1 -10 30 3  o 306.5484 8.941969 2769.841       160.5899 3896.360       406.6781 2561.730       174.7952 360.4193 19.30992 294.5799 10.13265 65.83945       21.80696 
1 1 1 -10 30 4  o 97.35110 18.72885 292.2916       103.0491 0.000000       0.000000 292.2916       103.0491 ?        ?        97.35110 18.72885 0.000000       18.72885 
1 1 1 -10 30 5  o 249.5363 9.049512 1836.587       132.2177 2407.472       388.0681 1761.615       140.6318 281.2741 23.74652 244.2538 9.837418 37.02032       25.70354 
1 1 1 -10 30 6  o 170.9472 11.53173 867.1578       114.9365 0.000000       0.000000 867.1578       114.9365 ?        ?        170.9472 11.53173 0.000000       11.53173 
1 1 1 -10 30 7  o 175.9898 17.69824 933.3342       180.1928 1218.420       386.1045 853.9517       203.7415 194.6525 35.11323 167.2618 21.24873 27.39076       41.04202 
1 1 1 -10 30 8  o 448.2073 9.285348 5920.959       244.0774 6692.038       544.9776 5727.485       272.9867 471.9157 19.73437 440.4934 10.56700 31.42236       22.38541 
1 1 1 -10 30 9  o 334.1180 8.559715 3290.271       167.5915 4284.755       497.5776 3163.017       177.9913 375.8007 22.68188 327.4428 9.277925 48.35785       24.50608 
1 1 1 -10 30 10 f 146.7737 11.98453 641.5080       102.2647 174.9330       488.7650 662.8687       104.5794 108.7481 45.56707 149.1997 12.05419 -40.45162      47.13450 
1 1 1 -10 30 11 o 27.24080 13.47166 -179.0072      79.32594 81.98406       505.1125 -185.6069      80.32264 104.8691 45.20503 27.19018 13.46624 77.67896       47.16815 
1 1 1 -10 30 12 o 213.8364 9.801558 1352.343       122.5944 1792.100       537.1559 1328.178       125.9177 232.0294 40.97124 211.8453 10.16451 20.18407       42.21326 
1 1 1 -10 30 13 o 149.8165 12.50640 670.0146       108.8845 0.000000       0.000000 670.0146       108.8845 ?        ?        149.8165 12.50640 0.000000       12.50640 
1 1 1 -10 30 14 o 299.0337 10.11726 2645.428       177.1771 0.000000       0.000000 2645.428       177.1771 ?        ?        299.0337 10.11726 0.000000       10.11726 
1 1 1 -10 30 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 30 16 o 85.20426 21.58924 229.3422       107.9948 0.000000       0.000000 229.3422       107.9948 ?        ?        85.20426 21.58924 0.000000       21.58924 
1 1 1 -10 30 17 o 96.06199 19.39141 288.5402       105.4782 0.000000       0.000000 288.5402       105.4782 ?        ?        96.06199 19.39141 0.000000       19.39141 
1 1 1 -10 30 18 o 285.4999 10.42461 2416.527       174.2555 0.000000       0.000000 2416.527       174.2555 ?        ?        285.4999 10.42461 0.000000       10.42461 
1 1 1 -10 30 19 o 288.8059 10.49849 2474.367       177.5253 0.000000       0.000000 2474.367       177.5253 ?        ?        288.8059 10.49849 0.000000       10.49849 
1 1 1 -10 30 20 o 255.2164 10.72723 1935.590       160.2053 0.000000       0.000000 1935.590       160.2053 ?        ?        255.2164 10.72723 0.000000       10.72723 
1 1 1 -10 30 21 o 112.5306 17.83806 392.6443       113.8030 0.000000       0.000000 392.6443       113.8030 ?        ?        112.5306 17.83806 0.000000       17.83806 
1 1 1 -10 30 22 o 61.92088 22.28389 104.5606       103.2576 0.000000       0.000000 104.5606       103.2576 ?        ?        61.92088 22.28389 0.000000       22.28389 
1 1 1 -10 30 23 o 167.2004 11.88368 839.6318       115.7708 0.000000       0.000000 839.6318       115.7708 ?        ?        167.2004 11.88368 0.000000       11.88368 
1 1 1 -10 30 24 f 87.46192 19.87983 246.4268       99.65221 0.000000       0.000000 246.4268       99.65221 ?        ?        87.46192 19.87983 0.000000       19.87983 
1 1 1 -10 30 25 o 88.63187 19.81202 254.4420       100.3920 0.000000       0.000000 254.4420       100.3920 ?        ?        88.63187 19.81202 0.000000       19.81202 
1 1 1 -10 30 26 o 102.1320 17.41891 330.7759       100.5961 0.000000       0.000000 330.7759       100.5961 ?        ?        102.1320 17.41891 0.000000       17.41891 
1 1 1 -10 30 27 o 78.38933 23.38085 205.3075       115.5958 0.000000       0.000000 205.3075       115.5958 ?        ?        78.38933 23.38085 0.000000       23.38085 
1 1 1 -10 30 28 o 124.2232 18.59653 494.3106       131.3220 0.000000       0.000000 494.3106       131.3220 ?        ?        124.2232 18.59653 0.000000       18.59653 
1 1 1 -10 30 29 o 71.87563 22.47445 171.8851       105.1791 0.000000       0.000000 171.8851       105.1791 ?        ?        71.87563 22.47445 0.000000       22.47445 
1 1 1 -10 30 30 o 59.46189 22.48753 98.66267       107.4215 0.000000       0.000000 98.66267       107.4215 ?        ?        59.46189 22.48753 0.000000       22.48753 
1 1 1 -10 30 31 o 133.6638 15.69511 565.0044       120.6936 0.000000       0.000000 565.0044       120.6936 ?        ?        133.6638 15.69511 0.000000       15.69511 
1 1 1 -10 30 32 o 93.22691 20.78896 295.2687       110.7667 0.000000       0.000000 295.2687       110.7667 ?        ?        93.22691 20.78896 0.000000       20.78896 
1 1 1 -10 30 33 o 166.8127 12.96092 862.7016       125.8047 0.000000       0.000000 862.7016       125.8047 ?        ?        166.8127 12.96092 0.000000       12.96092 
1 1 1 -10 30 34 o 91.99708 21.72256 295.3835       115.3137 0.000000       0.000000 295.3835       115.3137 ?        ?        91.99708 21.72256 0.000000       21.72256 
1 1 1 -10 30 35 o 60.80434 23.43024 111.0541       118.0367 0.000000       0.000000 111.0541       118.0367 ?        ?        60.80434 23.43024 0.000000       23.43024 
1 1 1 -10 30 36 o 47.16363 21.19742 -15.40102      122.4399 0.000000       0.000000 -15.40102      122.4399 ?        ?        47.16363 21.19742 0.000000       21.19742 
1 1 1 -10 30 37 o 63.24675 24.00339 130.6966       122.6482 0.000000       0.000000 130.6966       122.6482 ?        ?        63.24675 24.00339 0.000000       24.00339 
1 1 1 -10 30 38 o 107.7470 20.91975 406.1127       127.4267 162.8377       459.1154 426.4171       132.6379 79.41265 37.51791 110.1474 21.30306 -30.73476      43.14410 
1 1 1 -10 31 1  o 121.3403 15.35206 444.5229       106.8089 42.89937       336.9726 489.3796       112.6157 87.13605 37.22937 127.3957 15.38393 -40.25962      40.28264 
1 1 1 -10 31 2  o 46.78159 19.74981 8.495740       92.90862 433.0572       313.5219 -32.37707      97.27805 117.4578 38.99361 43.20034 19.18994 74.25749       43.45982 
1 1 1 -10 31 3  o 232.8731 9.777973 1602.293       133.2451 1559.270       334.5869 1610.403       145.2608 224.7540 25.85386 233.3007 10.64456 -8.546707      27.95941 
1 1 1 -10 31 4  o 150.9800 12.40592 679.1965       108.8816 0.000000       0.000000 679.1965       108.8816 ?        ?        150.9800 12.40592 0.000000       12.40592 
1 1 1 -10 31 5  o 333.7882 9.968255 3290.319       194.9188 0.000000       0.000000 3290.319       194.9188 ?        ?        333.7882 9.968255 0.000000       9.968255 
1 1 1 -10 31 6  o 142.5212 13.58676 607.8830       112.1928 0.000000       0.000000 607.8830       112.1928 ?        ?        142.5212 13.58676 0.000000       13.58676 
1 1 1 -10 31 7  o 291.2074 11.59979 2512.383       197.7120 2606.458       372.3080 2475.433       233.3315 292.8847 21.83185 288.4334 13.83392 4.451263       25.84583 
1 1 1 -10 31 8  o 59.24728 21.21095 91.69366       93.41857 0.000000       0.000000 91.69366       93.41857 ?        ?        59.24728 21.21095 0.000000       21.21095 
1 1 1 -10 31 9  o 107.5173 15.09366 350.7258       92.55775 80.36081       437.9871 363.3643       94.69640 98.58917 42.29041 109.4565 15.15804 -10.86734      44.92488 
1 1 1 -10 31 10 o 307.8683 9.410281 2799.874       169.7102 0.000000       0.000000 2799.874       169.7102 ?        ?        307.8683 9.410281 0.000000       9.410281 
1 1 1 -10 31 11 o 130.8503 13.40965 513.9954       101.4523 306.7605       467.2159 524.2501       103.9321 113.6165 45.72556 132.1171 13.60785 -18.50065      47.70744 
1 1 1 -10 31 12 o 287.2503 9.104636 2437.663       153.1880 2161.481       508.3448 2465.248       160.6562 258.1743 34.43096 288.7782 9.498913 -30.60385      35.71722 
1 1 1 -10 31 13 o 318.9576 8.966146 3004.981       167.5553 3375.180       528.6209 2963.633       176.6647 328.2512 27.71798 316.6066 9.525188 11.64456       29.30896 
1 1 1 -10 31 14 o 177.6048 11.55025 939.1455       119.6560 0.000000       0.000000 939.1455       119.6560 ?        ?        177.6048 11.55025 0.000000       11.55025 
1 1 1 -10 31 15 o 214.4984 11.52795 1368.547       144.4869 0.000000       0.000000 1368.547       144.4869 ?        ?        214.4984 11.52795 0.000000       11.52795 
1 1 1 -10 31 16 o 154.5680 14.36794 719.3771       128.7548 0.000000       0.000000 719.3771       128.7548 ?        ?        154.5680 14.36794 0.000000       14.36794 
1 1 1 -10 31 17 o 126.0506 16.73386 485.8511       120.6532 0.000000       0.000000 485.8511       120.6532 ?        ?        126.0506 16.73386 0.000000       16.73386 
1 1 1 -10 31 18 o 148.0930 14.88075 663.6528       127.4939 0.000000       0.000000 663.6528       127.4939 ?        ?        148.0930 14.88075 0.000000       14.88075 
1 1 1 -10 31 19 o 168.3711 12.90094 851.0320       126.4209 0.000000       0.000000 851.0320       126.4209 ?        ?        168.3711 12.90094 0.000000       12.90094 
1 1 1 -10 31 20 o 101.3590 19.76785 324.6300       113.2872 0.000000       0.000000 324.6300       113.2872 ?        ?        101.3590 19.76785 0.000000       19.76785 
1 1 1 -10 31 21 o 35.49282 17.01967 -136.2702      101.9030 0.000000       0.000000 -136.2702      101.9030 ?        ?        35.49282 17.01967 0.000000       17.01967 
1 1 1 -10 31 22 o 122.2732 16.25292 462.5821       113.6664 0.000000       0.000000 462.5821       113.6664 ?        ?        122.2732 16.25292 0.000000       16.25292 
1 1 1 -10 31 23 o 38.96912 18.03400 -69.79091      97.36727 0.000000       0.000000 -69.79091      97.36727 ?        ?        38.96912 18.03400 0.000000       18.03400 
1 1 1 -10 31 24 o 69.00581 21.84323 152.3113       99.06086 0.000000       0.000000 152.3113       99.06086 ?        ?        69.00581 21.84323 0.000000       21.84323 
1 1 1 -10 31 25 o 102.3091 17.65064 333.1393       102.0818 0.000000       0.000000 333.1393       102.0818 ?        ?        102.3091 17.65064 0.000000       17.65064 
1 1 1 -10 31 26 o 141.1304 13.21685 610.0440       108.1227 0.000000       0.000000 610.0440       108.1227 ?        ?        141.1304 13.21685 0.000000       13.21685 
1 1 1 -10 31 27 o 250.7436 9.661927 1884.397       141.8178 0.000000       0.000000 1884.397       141.8178 ?        ?        250.7436 9.661927 0.000000       9.661927 
1 1 1 -10 31 28 f 122.7295 15.98942 475.0001       112.3549 0.000000       0.000000 475.0001       112.3549 ?        ?        122.7295 15.98942 0.000000       15.98942 
1 1 1 -10 31 29 o 48.24189 21.69452 -28.50762      128.4570 0.000000       0.000000 -28.50762      128.4570 ?        ?        48.24189 21.69452 0.000000       21.69452 
1 1 1 -10 31 30 o 149.7193 13.73557 696.2770       119.2649 0.000000       0.000000 696.2770       119.2649 ?        ?        149.7193 13.73557 0.000000       13.73557 
1 1 1 -10 31 31 o 95.12058 21.09817 308.6487       114.6151 0.000000       0.000000 308.6487       114.6151 ?        ?        95.12058 21.09817 0.000000       21.09817 
1 1 1 -10 31 32 f 39.06511 18.51101 -104.4035      113.3461 0.000000       0.000000 -104.4035      113.3461 ?        ?        39.06511 18.51101 0.000000       18.51101 
1 1 1 -10 31 33 o 108.7157 19.64503 398.2837       120.6464 0.000000       0.000000 398.2837       120.6464 ?        ?        108.7157 19.64503 0.000000       19.64503 
1 1 1 -10 31 34 o 68.32555 24.18563 161.5923       121.1345 0.000000       0.000000 161.5923       121.1345 ?        ?        68.32555 24.18563 0.000000       24.18563 
1 1 1 -10 31 35 o 62.06104 23.56893 121.7819       118.2960 0.000000       0.000000 121.7819       118.2960 ?        ?        62.06104 23.56893 0.000000       23.56893 
1 1 1 -10 31 36 o 126.0766 18.20319 531.3503       130.7033 0.000000       0.000000 531.3503       130.7033 ?        ?        126.0766 18.20319 0.000000       18.20319 
1 1 1 -10 31 37 o 115.8061 20.03193 461.7580       131.1299 0.000000       0.000000 461.7580       131.1299 ?        ?        115.8061 20.03193 0.000000       20.03193 
1 1 1 -10 32 1  o 51.99742 20.92544 40.46767       97.84129 0.000000       0.000000 40.46767       97.84129 ?        ?        51.99742 20.92544 0.000000       20.92544 
1 1 1 -10 32 2  o 247.6006 11.95257 1819.898       173.0528 1544.500       338.4075 1917.418       201.3745 222.7741 26.41498 253.7182 13.58276 -30.94414      29.70257 
1 1 1 -10 32 3  o 144.9432 13.15313 628.5441       110.5930 0.000000       0.000000 628.5441       110.5930 ?        ?        144.9432 13.15313 0.000000       13.15313 
1 1 1 -10 32 4  o 99.13566 18.84599 304.6690       105.5680 0.000000       0.000000 304.6690       105.5680 ?        ?        99.13566 18.84599 0.000000       18.84599 
1 1 1 -10 32 5  o 83.01443 20.74982 216.3972       100.7377 0.000000       0.000000 216.3972       100.7377 ?        ?        83.01443 20.74982 0.000000       20.74982 
1 1 1 -10 32 6  o 311.6014 12.26035 2883.540       223.6167 3140.428       393.1884 2760.725       271.8656 321.3864 20.97501 303.8137 15.30727 17.57266       25.96659 
1 1 1 -10 32 7  o 46.94713 19.82800 9.493847       93.70958 0.000000       0.000000 9.493847       93.70958 ?        ?        46.94713 19.82800 0.000000       19.82800 
1 1 1 -10 32 8  o 49.39282 19.86900 36.69746       88.17205 331.9370       339.4890 15.34171       91.30528 107.6819 40.13314 47.12854 19.71746 60.55334       44.71518 
1 1 1 -10 32 9  o 56.13463 20.41622 80.04466       86.96664 -113.5484      371.5344 91.26664       89.45172 81.13749 36.65462 58.47175 20.77504 22.66574       42.13269 
1 1 1 -10 32 10 o 42.04592 18.32706 -12.73312      84.92199 -18.25247      434.6161 -12.51403      86.59107 92.10665 40.75645 42.50028 18.51599 49.60637       44.76528 
1 1 1 -10 32 11 o 113.0788 15.46913 389.1190       99.90170 34.96450       463.2255 406.3948       102.3093 97.08468 42.54920 115.6006 15.47921 -18.51592      45.27737 
1 1 1 -10 32 12 f 45.63675 19.20839 11.33707       87.45952 315.5480       466.0692 0.2336472      89.04131 112.8360 45.57797 44.60583 19.09966 68.23012       49.41809 
1 1 1 -10 32 13 o 74.46056 21.79862 173.0698       101.2528 -554.7178      449.4178 211.9870       103.9247 72.91617 35.16311 81.87308 21.40619 -8.956909      41.16636 
1 1 1 -10 32 14 o 327.6937 8.818533 3173.699       169.3246 3788.854       481.9324 3087.068       180.8548 349.8912 23.62414 322.9660 9.558743 26.92523       25.48470 
1 1 1 -10 32 15 o 112.0842 16.55581 385.5803       105.5580 -74.66749      449.5388 412.4382       108.5942 89.65387 40.42738 116.0348 16.41547 -26.38097      43.63303 
1 1 1 -10 32 16 o 259.0052 10.48278 1992.612       158.9050 0.000000       0.000000 1992.612       158.9050 ?        ?        259.0052 10.48278 0.000000       10.48278 
1 1 1 -10 32 17 o 253.5595 11.73772 1917.861       174.0742 0.000000       0.000000 1917.861       174.0742 ?        ?        253.5595 11.73772 0.000000       11.73772 
1 1 1 -10 32 18 o 31.94416 15.78846 -235.1282      108.3900 0.000000       0.000000 -235.1282      108.3900 ?        ?        31.94416 15.78846 0.000000       15.78846 
1 1 1 -10 32 19 o 72.82965 22.70236 167.0717       107.4108 0.000000       0.000000 167.0717       107.4108 ?        ?        72.82965 22.70236 0.000000       22.70236 
1 1 1 -10 32 20 o 80.72157 30.07734 189.3045       190.6534 0.000000       0.000000 189.3045       190.6534 ?        ?        80.72157 30.07734 0.000000       30.07734 
1 1 1 -10 32 21 o 55.87000 21.79241 69.18668       103.0576 0.000000       0.000000 69.18668       103.0576 ?        ?        55.87000 21.79241 0.000000       21.79241 
1 1 1 -10 32 22 o 44.05832 19.46656 -17.98792      98.79548 0.000000       0.000000 -17.98792      98.79548 ?        ?        44.05832 19.46656 0.000000       19.46656 
1 1 1 -10 32 23 o 77.90936 21.83640 200.3543       103.7601 0.000000       0.000000 200.3543       103.7601 ?        ?        77.90936 21.83640 0.000000       21.83640 
1 1 1 -10 32 24 f 176.1140 11.41369 937.2431       117.2533 0.000000       0.000000 937.2431       117.2533 ?        ?        176.1140 11.41369 0.000000       11.41369 
1 1 1 -10 32 25 o 128.2289 16.81051 518.2828       123.3789 0.000000       0.000000 518.2828       123.3789 ?        ?        128.2289 16.81051 0.000000       16.81051 
1 1 1 -10 32 26 o 95.76160 19.18050 299.7343       103.9628 0.000000       0.000000 299.7343       103.9628 ?        ?        95.76160 19.18050 0.000000       19.18050 
1 1 1 -10 32 27 o 131.0853 15.01433 537.7138       113.3474 0.000000       0.000000 537.7138       113.3474 ?        ?        131.0853 15.01433 0.000000       15.01433 
1 1 1 -10 32 28 o 105.3219 19.44264 366.2262       115.6717 0.000000       0.000000 366.2262       115.6717 ?        ?        105.3219 19.44264 0.000000       19.44264 
1 1 1 -10 32 29 f 187.0182 11.56966 1067.662       126.2768 0.000000       0.000000 1067.662       126.2768 ?        ?        187.0182 11.56966 0.000000       11.56966 
1 1 1 -10 32 30 o 146.5486 14.15733 672.1721       120.1652 0.000000       0.000000 672.1721       120.1652 ?        ?        146.5486 14.15733 0.000000       14.15733 
1 1 1 -10 32 31 o 66.95678 24.41625 147.6970       124.4984 0.000000       0.000000 147.6970       124.4984 ?        ?        66.95678 24.41625 0.000000       24.41625 
1 1 1 -10 32 32 o 180.6931 13.30729 1018.609       140.0310 0.000000       0.000000 1018.609       140.0310 ?        ?        180.6931 13.30729 0.000000       13.30729 
1 1 1 -10 32 33 o 68.09129 24.07014 160.4575       119.9471 0.000000       0.000000 160.4575       119.9471 ?        ?        68.09129 24.07014 0.000000       24.07014 
1 1 1 -10 32 34 o 82.23318 24.19120 249.5755       124.4408 0.000000       0.000000 249.5755       124.4408 ?        ?        82.23318 24.19120 0.000000       24.19120 
1 1 1 -10 32 35 o 179.6224 13.63522 1017.854       142.5661 0.000000       0.000000 1017.854       142.5661 ?        ?        179.6224 13.63522 0.000000       13.63522 
1 1 1 -10 32 36 o 133.0384 18.04231 591.2321       137.1483 0.000000       0.000000 591.2321       137.1483 ?        ?        133.0384 18.04231 0.000000       18.04231 
1 1 1 -10 33 1  o 113.9155 16.58185 396.3875       107.5319 208.4003       317.1534 420.8049       114.3023 95.76509 37.96179 117.2886 17.12148 -21.52354      41.64423 
1 1 1 -10 33 2  o 197.6784 11.11574 1160.751       128.3498 840.0851       338.5767 1214.566       138.7023 158.0167 37.16217 202.0717 11.75457 -44.05498      38.97688 
1 1 1 -10 33 3  o 245.9861 10.94420 1794.932       157.4913 0.000000       0.000000 1794.932       157.4913 ?        ?        245.9861 10.94420 0.000000       10.94420 
1 1 1 -10 33 4  o 51.43075 20.93046 35.36761       99.13672 0.000000       0.000000 35.36761       99.13672 ?        ?        51.43075 20.93046 0.000000       20.93046 
1 1 1 -10 33 5  o 329.1318 9.336662 3201.929       180.0416 3181.878       388.5899 3207.410       203.1635 323.2077 20.60759 329.0567 10.54108 -5.848938      23.14708 
1 1 1 -10 33 6  o 187.5922 11.86914 1048.096       129.9129 0.000000       0.000000 1048.096       129.9129 ?        ?        187.5922 11.86914 0.000000       11.86914 
1 1 1 -10 33 7  o 134.2833 14.26706 543.6028       110.6411 0.000000       0.000000 543.6028       110.6411 ?        ?        134.2833 14.26706 0.000000       14.26706 
1 1 1 -10 33 8  o 180.4871 10.89004 968.4172       114.7364 1297.929       351.9141 929.2243       121.3682 200.5195 30.91720 176.5768 11.78732 23.94273       33.08797 
1 1 1 -10 33 9  o 115.7483 15.11240 407.0890       100.1409 945.5908       357.0400 361.1100       104.3285 166.9427 37.39709 108.4089 16.96507 58.53384       41.06527 
1 1 1 -10 33 10 o 263.2677 9.192297 2050.352       141.7115 2224.367       404.4492 2025.999       151.3031 266.2263 26.24468 261.5196 9.882690 4.706726       28.04373 
1 1 1 -10 33 11 o 262.7329 9.330627 2043.078       143.5443 2183.244       423.7289 2024.907       152.5652 262.3246 27.97328 261.3893 9.970441 0.9353333      29.69704 
1 1 1 -10 33 12 o 224.6972 10.18257 1498.384       133.8368 1535.829       433.4197 1494.437       140.7136 214.0836 35.78224 224.2532 10.73022 -10.16956      37.35648 
1 1 1 -10 33 13 o 207.3353 11.20072 1280.267       135.6919 1480.390       478.6007 1262.775       141.4980 205.3653 41.17176 205.7436 11.77583 -0.3782349     42.82271 
1 1 1 -10 33 14 o 192.3155 17.12926 1126.690       191.1787 938.2095       473.0565 1163.482       209.0072 157.5176 47.37217 194.8524 18.51172 -37.33475      50.86066 
1 1 1 -10 33 15 o 133.2721 16.68150 544.8248       127.5361 0.000000       0.000000 544.8248       127.5361 ?        ?        133.2721 16.68150 0.000000       16.68150 
1 1 1 -10 33 16 o 131.3268 15.41025 526.9244       116.4344 439.5960       447.6183 533.2621       120.5854 115.9299 45.35956 131.9558 15.90193 -16.02586      48.06622 
1 1 1 -10 33 17 o 140.8766 14.38441 603.8782       117.1791 0.000000       0.000000 603.8782       117.1791 ?        ?        140.8766 14.38441 0.000000       14.38441 
1 1 1 -10 33 18 o 48.35073 20.52530 13.28802       101.2744 0.000000       0.000000 13.28802       101.2744 ?        ?        48.35073 20.52530 0.000000       20.52530 
1 1 1 -10 33 19 o 75.44870 22.14878 184.6473       104.4082 0.000000       0.000000 184.6473       104.4082 ?        ?        75.44870 22.14878 0.000000       22.14878 
1 1 1 -10 33 20 o 82.03568 23.36340 222.9589       117.8105 0.000000       0.000000 222.9589       117.8105 ?        ?        82.03568 23.36340 0.000000       23.36340 
1 1 1 -10 33 21 o 75.93214 21.71740 189.5294       101.5828 0.000000       0.000000 189.5294       101.5828 ?        ?        75.93214 21.71740 0.000000       21.71740 
1 1 1 -10 33 22 f 82.87941 35.70654 134.2974       314.8109 0.000000       0.000000 134.2974       314.8109 ?        ?        82.87941 35.70654 0.000000       35.70654 
1 1 1 -10 33 23 o 117.0951 16.63683 432.3721       111.0393 0.000000       0.000000 432.3721       111.0393 ?        ?        117.0951 16.63683 0.000000       16.63683 
1 1 1 -10 33 24 o 156.2866 13.18960 748.6340       119.7663 0.000000       0.000000 748.6340       119.7663 ?        ?        156.2866 13.18960 0.000000       13.18960 
1 1 1 -10 33 25 o 36.70898 17.40326 -103.1434      100.4279 0.000000       0.000000 -103.1434      100.4279 ?        ?        36.70898 17.40326 0.000000       17.40326 
1 1 1 -10 33 26 o 119.5766 16.80629 456.6388       114.6124 0.000000       0.000000 456.6388       114.6124 ?        ?        119.5766 16.80629 0.000000       16.80629 
1 1 1 -10 33 27 o 161.8748 12.83337 807.2028       120.8382 0.000000       0.000000 807.2028       120.8382 ?        ?        161.8748 12.83337 0.000000       12.83337 
1 1 1 -10 33 28 f 139.9583 14.99732 616.9948       121.1840 0.000000       0.000000 616.9948       121.1840 ?        ?        139.9583 14.99732 0.000000       14.99732 
1 1 1 -10 33 29 o 72.62800 26.17370 180.9628       142.5112 0.000000       0.000000 180.9628       142.5112 ?        ?        72.62800 26.17370 0.000000       26.17370 
1 1 1 -10 33 30 o 50.32404 22.05139 10.77986       124.3662 0.000000       0.000000 10.77986       124.3662 ?        ?        50.32404 22.05139 0.000000       22.05139 
1 1 1 -10 33 31 o 51.25204 22.37572 18.48739       127.0233 0.000000       0.000000 18.48739       127.0233 ?        ?        51.25204 22.37572 0.000000       22.37572 
1 1 1 -10 33 32 o 42.85704 19.84834 -60.30740      118.2789 0.000000       0.000000 -60.30740      118.2789 ?        ?        42.85704 19.84834 0.000000       19.84834 
1 1 1 -10 33 33 o 67.33413 24.52759 157.0237       125.5883 0.000000       0.000000 157.0237       125.5883 ?        ?        67.33413 24.52759 0.000000       24.52759 
1 1 1 -10 33 34 o 102.0773 23.43705 379.5960       137.3402 0.000000       0.000000 379.5960       137.3402 ?        ?        102.0773 23.43705 0.000000       23.43705 
1 1 1 -10 33 35 o 78.57778 25.50472 235.1117       134.4381 0.000000       0.000000 235.1117       134.4381 ?        ?        78.57778 25.50472 0.000000       25.50472 
1 1 1 -10 34 1  o 53.78134 21.70551 44.09951       105.6017 -30.00495      307.8219 53.98429       112.4244 77.82384 34.37445 56.33288 22.51257 21.49096       41.09037 
1 1 1 -10 34 2  o 298.0057 9.800758 2629.063       171.0581 2342.382       338.5282 2727.359       198.2262 276.5672 21.02865 303.1050 11.17020 -26.53787      23.81129 
1 1 1 -10 34 3  o 157.6901 13.77491 746.8127       126.1149 0.000000       0.000000 746.8127       126.1149 ?        ?        157.6901 13.77491 0.000000       13.77491 
1 1 1 -10 34 4  o 228.5213 15.33416 1570.240       204.3225 1147.262       327.5855 1839.568       261.4004 188.1386 30.75031 246.2002 18.23310 -58.06157      35.74951 
1 1 1 -10 34 5  o 60.14592 23.46423 74.17039       119.4926 -425.0103      307.2502 163.1266       129.7034 59.80625 28.89845 74.29214 25.08680 -14.48589      38.26836 
1 1 1 -10 34 6  o 198.5119 11.05652 1172.145       128.2142 1316.917       330.2347 1146.449       139.1284 202.8760 28.54317 196.0264 12.16172 6.849564       31.02612 
1 1 1 -10 34 7  o 91.35810 20.97819 264.3996       110.0243 0.000000       0.000000 264.3996       110.0243 ?        ?        91.35810 20.97819 0.000000       20.97819 
1 1 1 -10 34 8  o 316.0622 9.213922 2956.050       170.6097 3198.613       396.9095 2901.074       188.9569 322.7366 21.08518 312.7484 10.31601 9.988190       23.47350 
1 1 1 -10 34 9  o 279.6343 9.043254 2314.303       148.1134 3065.353       413.5269 2203.774       158.6380 314.6372 22.55979 272.6062 9.939137 42.03101       24.65219 
1 1 1 -10 34 10 f 175.0563 12.41211 917.4772       126.6043 0.000000       0.000000 917.4772       126.6043 ?        ?        175.0563 12.41211 0.000000       12.41211 
1 1 1 -10 34 11 o 178.2842 11.49081 949.2672       119.5075 785.8204       369.6504 968.3451       126.2897 147.7362 41.14566 179.9164 12.03795 -32.18025      42.87048 
1 1 1 -10 34 12 o 125.0966 15.54647 478.1607       111.6048 436.3427       423.7859 481.2771       115.6886 115.9350 44.46743 125.3266 16.11204 -9.391510      47.29641 
1 1 1 -10 34 13 f 223.0331 10.49164 1481.359       136.8498 665.7056       437.2118 1569.950       144.0902 133.1613 46.03175 229.5380 10.73331 -96.37668      47.26654 
1 1 1 -10 34 14 o 46.95626 20.49711 -10.88887      106.5542 -459.6231      466.4825 13.81312       109.4477 75.16700 36.14056 50.27006 21.33867 24.89694       41.96998 
1 1 1 -10 34 15 o 100.7276 20.68240 325.4941       118.0856 116.7315       450.3129 340.9097       122.3678 94.99976 41.78344 103.0325 20.96493 -8.032761      46.74810 
1 1 1 -10 34 16 o 75.88094 22.35784 186.1036       106.2232 -0.5417639     428.3603 198.3329       109.6479 87.03507 39.33478 78.13792 22.62987 8.897156       45.37991 
1 1 1 -10 34 17 o 53.85455 21.49793 56.10184       102.4028 604.7615       423.6763 22.06097       105.5317 122.6733 44.99263 50.05249 21.08526 72.62079       49.68828 
1 1 1 -10 34 18 o 138.1127 14.48438 585.8543       115.5799 0.000000       0.000000 585.8543       115.5799 ?        ?        138.1127 14.48438 0.000000       14.48438 
1 1 1 -10 34 19 o 87.01806 20.86923 248.8333       105.1296 0.000000       0.000000 248.8333       105.1296 ?        ?        87.01806 20.86923 0.000000       20.86923 
1 1 1 -10 34 20 o 118.0281 16.75130 438.3579       112.7005 0.000000       0.000000 438.3579       112.7005 ?        ?        118.0281 16.75130 0.000000       16.75130 
1 1 1 -10 34 21 o 90.71518 19.26503 268.2391       99.32504 0.000000       0.000000 268.2391       99.32504 ?        ?        90.71518 19.26503 0.000000       19.26503 
1 1 1 -10 34 22 f 64.84670 21.81002 132.9209       98.03505 0.000000       0.000000 132.9209       98.03505 ?        ?        64.84670 21.81002 0.000000       21.81002 
1 1 1 -10 34 23 o 57.06878 21.90546 84.10949       102.8940 0.000000       0.000000 84.10949       102.8940 ?        ?        57.06878 21.90546 0.000000       21.90546 
1 1 1 -10 34 24 o 58.36560 23.36025 78.57877       121.2370 0.000000       0.000000 78.57877       121.2370 ?        ?        58.36560 23.36025 0.000000       23.36025 
1 1 1 -10 34 25 o 67.33240 23.81440 146.4037       117.4244 0.000000       0.000000 146.4037       117.4244 ?        ?        67.33240 23.81440 0.000000       23.81440 
1 1 1 -10 34 26 o 164.2923 12.76743 831.8000       122.0537 0.000000       0.000000 831.8000       122.0537 ?        ?        164.2923 12.76743 0.000000       12.76743 
1 1 1 -10 34 27 o 99.92055 20.31868 336.7115       115.0093 0.000000       0.000000 336.7115       115.0093 ?        ?        99.92055 20.31868 0.000000       20.31868 
1 1 1 -10 34 28 f 86.72787 22.70182 265.0215       116.7968 0.000000       0.000000 265.0215       116.7968 ?        ?        86.72787 22.70182 0.000000       22.70182 
1 1 1 -10 34 29 o 117.8733 19.86814 467.7256       132.4697 0.000000       0.000000 467.7256       132.4697 ?        ?        117.8733 19.86814 0.000000       19.86814 
1 1 1 -10 34 30 o 108.6778 21.42960 409.6809       131.7296 0.000000       0.000000 409.6809       131.7296 ?        ?        108.6778 21.42960 0.000000       21.42960 
1 1 1 -10 34 31 o 112.8641 20.36003 436.2191       129.8100 0.000000       0.000000 436.2191       129.8100 ?        ?        112.8641 20.36003 0.000000       20.36003 
1 1 1 -10 34 32 o 108.9615 20.95590 413.1978       129.0531 0.000000       0.000000 413.1978       129.0531 ?        ?        108.9615 20.95590 0.000000       20.95590 
1 1 1 -10 34 33 o 127.6032 19.08640 551.2084       138.4543 0.000000       0.000000 551.2084       138.4543 ?        ?        127.6032 19.08640 0.000000       19.08640 
1 1 1 -10 34 34 o 122.5926 20.26232 519.3578       140.5965 0.000000       0.000000 519.3578       140.5965 ?        ?        122.5926 20.26232 0.000000       20.26232 
1 1 1 -10 35 1  o 221.2975 11.21670 1458.156       145.1020 1396.650       325.6744 1473.390       162.0780 209.1138 27.19913 222.0502 12.49621 -12.93636      29.93239 
1 1 1 -10 35 2  o 255.4852 15.87493 1970.668       236.6885 2086.741       357.0824 1879.706       316.1068 258.4041 23.83063 246.2059 22.12777 12.19818       32.51979 
1 1 1 -10 35 3  o 227.5703 16.55582 1569.398       219.4503 2077.840       342.0979 1213.875       286.0642 258.4516 22.80308 195.6227 25.54366 62.82889       34.24119 
1 1 1 -10 35 4  o 211.9489 17.13179 1365.997       211.1400 1128.256       325.0338 1539.552       277.7130 185.2067 31.02010 222.8754 21.51339 -37.66872      37.75013 
1 1 1 -10 35 5  o 155.7747 14.62043 733.7845       132.0083 0.000000       0.000000 733.7845       132.0083 ?        ?        155.7747 14.62043 0.000000       14.62043 
1 1 1 -10 35 6  o 120.2236 17.25399 445.5884       118.1733 0.000000       0.000000 445.5884       118.1733 ?        ?        120.2236 17.25399 0.000000       17.25399 
1 1 1 -10 35 7  o 188.5135 11.32363 1060.774       124.6155 1650.705       340.6847 969.6533       133.8941 227.6254 25.98497 179.7668 12.78334 47.85855       28.95915 
1 1 1 -10 35 8  o 110.6927 17.39146 379.8412       109.1842 737.1215       333.9815 337.0877       115.5324 143.7760 38.74107 103.3627 19.77885 40.41333       43.49797 
1 1 1 -10 35 9  o 109.9301 27.93289 401.7685       180.4258 855.5851       371.1921 261.3781       206.4559 153.2401 40.64267 91.10492 31.62473 62.13515       51.49709 
1 1 1 -10 35 10 o 203.8750 10.79444 1240.345       128.6068 800.8240       371.0683 1300.349       137.1048 146.9689 41.33103 208.6074 11.24816 -61.63857      42.83427 
1 1 1 -10 35 11 o 34.25615 16.50520 -142.0039      98.50108 -616.4544      376.3050 -107.1045      102.0596 61.41383 30.17212 37.46657 17.69726 23.94726       34.97927 
1 1 1 -10 35 12 o 78.63889 21.98561 200.0941       105.3234 -561.4700      388.8752 260.3810       109.4128 63.94567 31.26054 89.71844 21.14272 -25.77277      37.73905 
1 1 1 -10 35 13 o 138.0791 14.00981 581.2089       111.8828 686.4865       430.3669 573.5779       115.8668 130.8225 45.64454 136.9182 14.65716 -6.095657      47.94014 
1 1 1 -10 35 14 o 57.21984 22.12405 76.16116       105.5024 -255.4620      402.7310 100.5964       109.3203 74.00084 35.01419 61.35382 22.79190 12.64702       41.77875 
1 1 1 -10 35 15 o 165.3881 12.69737 829.0372       122.2177 712.6293       432.1205 839.1588       127.4204 130.1787 45.71444 166.1928 13.18091 -36.01404      47.57674 
1 1 1 -10 35 16 o 88.75665 21.17842 258.8516       108.6997 1111.735       418.7434 197.2278       112.5582 165.8517 42.77265 77.37061 23.07031 88.48109       48.59772 
1 1 1 -10 35 17 o 152.3918 12.71340 706.5769       112.5908 683.2093       424.3202 708.3467       116.7768 125.7349 45.18235 152.3720 13.19775 -26.63713      47.07043 
1 1 1 -10 35 18 o 168.5561 12.55175 863.9755       123.1886 0.000000       0.000000 863.9755       123.1886 ?        ?        168.5561 12.55175 0.000000       12.55175 
1 1 1 -10 35 19 o 94.41415 19.79511 291.5403       106.1003 1593.371       466.7036 220.5904       108.9531 198.6888 41.39658 81.16231 22.23606 117.5265       46.99063 
1 1 1 -10 35 20 o 50.69769 21.15327 33.79623       104.6636 0.000000       0.000000 33.79623       104.6636 ?        ?        50.69769 21.15327 0.000000       21.15327 
1 1 1 -10 35 21 o 54.89072 21.99434 64.05273       107.5991 0.000000       0.000000 64.05273       107.5991 ?        ?        54.89072 21.99434 0.000000       21.99434 
1 1 1 -10 35 22 o 136.3089 15.52651 583.5593       121.9118 0.000000       0.000000 583.5593       121.9118 ?        ?        136.3089 15.52651 0.000000       15.52651 
1 1 1 -10 35 23 o 54.34558 22.10014 59.94939       110.4287 0.000000       0.000000 59.94939       110.4287 ?        ?        54.34558 22.10014 0.000000       22.10014 
1 1 1 -10 35 24 o 46.82508 20.43367 3.127469       105.8268 0.000000       0.000000 3.127469       105.8268 ?        ?        46.82508 20.43367 0.000000       20.43367 
1 1 1 -10 35 25 o 64.66785 23.25657 133.4875       112.4464 0.000000       0.000000 133.4875       112.4464 ?        ?        64.66785 23.25657 0.000000       23.25657 
1 1 1 -10 35 26 o 111.3563 18.36147 408.1030       115.7390 0.000000       0.000000 408.1030       115.7390 ?        ?        111.3563 18.36147 0.000000       18.36147 
1 1 1 -10 35 27 o 103.0110 35.18860 463.1333       255.2677 0.000000       0.000000 463.1333       255.2677 ?        ?        103.0110 35.18860 0.000000       35.18860 
1 1 1 -10 35 28 o 45.89449 21.53955 -93.87041      146.9195 0.000000       0.000000 -93.87041      146.9195 ?        ?        45.89449 21.53955 0.000000       21.53955 
1 1 1 -10 35 29 o 67.57652 24.92625 154.8441       130.3399 0.000000       0.000000 154.8441       130.3399 ?        ?        67.57652 24.92625 0.000000       24.92625 
1 1 1 -10 35 30 o 69.27832 25.06529 168.6185       130.8557 0.000000       0.000000 168.6185       130.8557 ?        ?        69.27832 25.06529 0.000000       25.06529 
1 1 1 -10 35 31 o 94.11478 24.60854 330.5515       137.3385 0.000000       0.000000 330.5515       137.3385 ?        ?        94.11478 24.60854 0.000000       24.60854 
1 1 1 -10 35 32 o 75.82807 26.05976 217.7427       140.0541 0.000000       0.000000 217.7427       140.0541 ?        ?        75.82807 26.05976 0.000000       26.05976 
1 1 1 -10 35 33 o 97.79841 24.61391 359.8854       141.0491 0.000000       0.000000 359.8854       141.0491 ?        ?        97.79841 24.61391 0.000000       24.61391 
1 1 1 -10 36 1  o 94.01704 20.59804 282.4554       110.4283 371.0263       327.5462 271.0972       117.2953 106.6071 39.47989 91.66654 22.08178 14.94051       45.23568 
1 1 1 -10 36 2  o 186.7193 12.19185 1045.746       132.7784 525.0918       318.7045 1155.096       146.0578 121.1445 39.26533 196.0672 12.77143 -74.92267      41.29014 
1 1 1 -10 36 3  o 148.8803 13.94507 671.5211       120.3440 1161.399       320.7196 591.2442       129.8305 186.7328 30.32504 138.8147 16.25491 47.91803       34.40683 
1 1 1 -10 36 4  o 134.5880 16.22255 556.4262       125.4695 871.5051       314.4697 496.7721       136.8326 158.0389 34.86541 125.9687 19.12149 32.07022       39.76466 
1 1 1 -10 36 5  o 150.3359 12.81190 681.8455       111.8852 892.1403       316.3226 651.7737       119.6177 159.7887 34.74690 146.5307 14.09286 13.25804       37.49607 
1 1 1 -10 36 6  o 225.3436 10.05150 1512.664       132.5050 2450.248       349.2390 1355.000       143.2133 279.6553 21.45751 212.7275 11.52214 66.92784       24.35538 
1 1 1 -10 36 7  o 95.91553 20.02603 294.3874       109.0081 0.000000       0.000000 294.3874       109.0081 ?        ?        95.91553 20.02603 0.000000       20.02603 
1 1 1 -10 36 8  o 285.2718 9.700259 2422.276       162.0543 2454.239       358.4256 2414.063       181.6848 278.7047 22.10930 284.2259 10.91976 -5.521179      24.65892 
1 1 1 -10 36 9  o 72.60358 23.53550 166.3606       114.5007 0.000000       0.000000 166.3606       114.5007 ?        ?        72.60358 23.53550 0.000000       23.53550 
1 1 1 -10 36 10 o 98.11219 19.17625 307.6154       106.3841 -181.5355      381.6949 348.8141       110.7736 74.90023 35.01216 104.8216 18.70546 -29.92136      39.69566 
1 1 1 -10 36 11 o 246.0941 9.956813 1808.436       143.4084 1343.244       441.1000 1863.418       151.6467 186.7470 41.36544 249.6184 10.38137 -62.87135      42.64825 
1 1 1 -10 36 12 o 223.8570 10.39764 1500.539       136.1344 922.8478       434.1928 1563.520       143.3632 147.8813 45.56966 228.3614 10.73450 -80.48006      46.81692 
1 1 1 -10 36 13 o 81.73020 21.06956 219.4755       101.6353 334.8817       421.9834 212.3686       104.7179 101.9513 42.50151 80.26855 21.72077 21.68272       47.73018 
1 1 1 -10 36 14 o 181.3940 11.78168 994.2775       124.6592 256.7403       437.8854 1059.323       130.0401 97.36823 42.03125 187.1972 11.90650 -89.82896      43.68513 
1 1 1 -10 36 15 o 82.59007 21.77905 226.6765       106.9808 -742.5408      402.6462 300.2938       110.9693 59.36814 29.52965 95.78616 20.38046 -36.41803      35.87984 
1 1 1 -10 36 16 f 55.67339 22.05395 67.86270       106.9714 12.03349       438.0002 71.40395       110.3118 84.56020 38.81215 56.64052 22.40876 27.91968       44.81668 
1 1 1 -10 36 17 o 163.2912 12.43887 811.9412       118.2262 1477.916       450.3410 762.6448       122.5237 190.6740 41.45625 157.7801 13.36655 32.89386       43.55784 
1 1 1 -10 36 18 o 57.78579 21.58174 91.45388       98.27431 61.63417       444.2162 92.98846       100.7713 85.82140 39.27720 58.31615 21.83907 27.50525       44.94044 
1 1 1 -10 36 19 o 84.46690 21.51150 240.3051       106.8363 326.3437       465.3578 235.5181       109.7682 97.76784 42.75278 83.40115 22.09295 14.36669       48.12378 
1 1 1 -10 36 20 o 64.04237 23.08934 126.0285       110.9166 0.000000       0.000000 126.0285       110.9166 ?        ?        64.04237 23.08934 0.000000       23.08934 
1 1 1 -10 36 21 o 84.29413 21.94370 243.2628       109.5229 1449.602       472.3250 174.7139       112.5917 176.1422 45.42701 71.87463 23.34151 104.2675       51.07288 
1 1 1 -10 36 22 o 44.10287 19.90784 -32.09278      109.3373 0.000000       0.000000 -32.09278      109.3373 ?        ?        44.10287 19.90784 0.000000       19.90784 
1 1 1 -10 36 23 o 70.10516 23.65187 166.3398       115.2900 0.000000       0.000000 166.3398       115.2900 ?        ?        70.10516 23.65187 0.000000       23.65187 
1 1 1 -10 36 24 o 109.3973 19.47504 398.5995       120.3690 0.000000       0.000000 398.5995       120.3690 ?        ?        109.3973 19.47504 0.000000       19.47504 
1 1 1 -10 36 25 o 109.0157 20.57722 403.3957       126.7390 0.000000       0.000000 403.3957       126.7390 ?        ?        109.0157 20.57722 0.000000       20.57722 
1 1 1 -10 36 26 o 54.68511 22.94100 54.36185       124.1111 0.000000       0.000000 54.36185       124.1111 ?        ?        54.68511 22.94100 0.000000       22.94100 
1 1 1 -10 36 27 o 101.2144 22.34210 361.4082       129.0679 0.000000       0.000000 361.4082       129.0679 ?        ?        101.2144 22.34210 0.000000       22.34210 
1 1 1 -10 36 28 o 110.2211 22.38988 428.4328       139.7888 0.000000       0.000000 428.4328       139.7888 ?        ?        110.2211 22.38988 0.000000       22.38988 
1 1 1 -10 36 29 o 52.27280 23.42922 -0.4591310     148.4498 0.000000       0.000000 -0.4591310     148.4498 ?        ?        52.27280 23.42922 0.000000       23.42922 
1 1 1 -10 36 30 o 60.22856 26.66943 48.04948       186.4173 0.000000       0.000000 48.04948       186.4173 ?        ?        60.22856 26.66943 0.000000       26.66943 
1 1 1 -10 36 31 o 88.02927 25.81612 298.0934       141.9066 0.000000       0.000000 298.0934       141.9066 ?        ?        88.02927 25.81612 0.000000       25.81612 
1 1 1 -10 37 1  o 170.5575 14.29662 886.2471       141.6914 455.8404       270.6150 1048.807       166.3103 112.0519 36.17060 185.0622 15.46450 -73.01028      39.33781 
1 1 1 -10 37 2  o 114.5578 17.31617 410.8581       112.7122 -200.0084      281.4680 527.5217       123.0052 63.11523 29.68192 130.4431 16.44335 -67.32783      33.93229 
1 1 1 -10 37 3  o 110.2792 30.59683 424.9762       204.8324 436.6519       277.5956 411.0210       303.4862 109.6505 36.69849 106.9970 38.23938 2.653564       53.00027 
1 1 1 -10 37 4  o 51.98909 21.54781 34.62706       107.5719 337.1700       270.8527 -22.03208      117.2127 99.17468 36.03595 47.76147 21.14828 51.41321       41.78325 
1 1 1 -10 37 5  o 89.88212 20.38933 262.1270       105.0018 76.71497       298.6069 288.2881       112.1652 79.60663 34.53592 94.17133 20.85906 -14.56470      40.34637 
1 1 1 -10 37 6  o 52.39787 20.95279 52.06653       97.44581 234.0801       293.2592 29.47535       103.3164 90.38358 36.27811 50.47930 21.03589 39.90428       41.93579 
1 1 1 -10 37 7  o 259.0013 10.06364 2004.830       152.5739 2137.382       343.3491 1972.216       170.3132 257.5981 22.96766 256.2224 11.36219 1.375702       25.62446 
1 1 1 -10 37 8  o 152.5498 14.55539 713.9722       128.6456 0.000000       0.000000 713.9722       128.6456 ?        ?        152.5498 14.55539 0.000000       14.55539 
1 1 1 -10 37 9  o 98.72505 20.20603 316.4129       113.0485 616.5620       364.1564 284.4018       118.9242 123.2619 42.03063 92.69962 22.17335 30.56229       47.52085 
1 1 1 -10 37 10 o 81.94712 21.35768 221.5722       103.6709 341.2979       367.8036 211.2394       108.0519 100.2456 40.49023 79.86467 22.24664 20.38095       46.19926 
1 1 1 -10 37 11 o 63.90297 22.56849 122.2658       105.4282 -640.8894      396.4390 180.3461       109.3665 61.10277 30.19918 74.11501 22.87618 -13.01223      37.88549 
1 1 1 -10 37 12 o 73.20006 22.83550 175.9151       108.6518 522.9410       403.8553 148.8372       112.8112 112.7064 43.36292 68.68879 23.39420 44.01756       49.27100 
1 1 1 -10 37 13 o 54.71302 21.79410 63.05198       105.0216 234.0459       409.9672 51.04268       108.6470 93.58085 40.53293 53.69312 21.88883 39.88773       46.06559 
1 1 1 -10 37 14 o 56.41786 21.88436 77.18556       103.4784 -295.5929      417.4892 101.5859       106.8114 71.65367 34.38325 60.47466 22.51663 11.17901       41.09996 
1 1 1 -10 37 15 o 104.7985 18.52866 354.3683       109.7158 -121.1625      444.6652 385.1952       113.2162 79.07558 37.22493 109.4859 18.27571 -30.41035      41.46923 
1 1 1 -10 37 16 o 162.7552 13.03446 811.8258       123.3774 424.1719       429.2248 846.7397       128.8136 103.0326 42.90152 166.0708 13.33774 -63.03814      44.92700 
1 1 1 -10 37 17 o 134.5428 14.32757 562.5139       111.3164 381.3565       417.0963 576.4068       115.5060 99.28214 41.87636 136.0042 14.71520 -36.72205      44.38655 
1 1 1 -10 37 18 o 46.75022 20.17067 9.806120       100.7463 220.2865       414.3332 -3.420143      103.8634 89.27747 39.63399 45.93354 20.13903 43.34394       44.45710 
1 1 1 -10 37 19 o 47.36008 20.42468 11.93247       103.2098 -25.71274      418.7549 14.36720       106.4951 78.17254 36.58430 48.24612 20.77648 29.92642       42.07224 
1 1 1 -10 37 20 o 82.96312 22.32559 237.6049       111.0015 1753.522       441.0573 135.0961       114.6932 207.0358 37.71349 65.29585 23.48709 141.7399       44.42916 
1 1 1 -10 37 21 o 104.9743 19.07728 364.6270       113.1243 607.6470       464.9625 349.3366       116.6288 107.9369 44.77290 102.0137 20.20868 5.923233       49.12233 
1 1 1 -10 37 22 o 45.06191 20.20242 -21.50229      110.4523 385.3909       468.6033 -45.43785      113.6546 95.04006 42.17336 43.60391 19.92228 51.43615       46.64214 
1 1 1 -10 37 23 f 146.5186 16.01449 686.2230       135.3737 0.000000       0.000000 686.2230       135.3737 ?        ?        146.5186 16.01449 0.000000       16.01449 
1 1 1 -10 37 24 o 65.11056 24.67075 134.0888       129.4372 0.000000       0.000000 134.0888       129.4372 ?        ?        65.11056 24.67075 0.000000       24.67075 
1 1 1 -10 37 25 o 52.54831 23.05329 18.03068       136.2849 0.000000       0.000000 18.03068       136.2849 ?        ?        52.54831 23.05329 0.000000       23.05329 
1 1 1 -10 37 26 o 87.14168 24.86434 281.2334       133.3099 0.000000       0.000000 281.2334       133.3099 ?        ?        87.14168 24.86434 0.000000       24.86434 
1 1 1 -10 37 27 o 98.51104 23.60497 352.4736       134.5906 0.000000       0.000000 352.4736       134.5906 ?        ?        98.51104 23.60497 0.000000       23.60497 
1 1 1 -10 37 28 o 96.72141 29.12901 380.0033       178.7704 0.000000       0.000000 380.0033       178.7704 ?        ?        96.72141 29.12901 0.000000       29.12901 
1 1 1 -10 37 29 o 121.4731 22.76087 527.5784       156.1943 0.000000       0.000000 527.5784       156.1943 ?        ?        121.4731 22.76087 0.000000       22.76087 
1 1 1 -10 37 30 o 93.06947 26.36820 337.4941       150.4545 0.000000       0.000000 337.4941       150.4545 ?        ?        93.06947 26.36820 0.000000       26.36820 
1 1 1 -10 38 1  o 178.4097 12.93864 967.2073       134.4610 492.7817       267.9323 1126.914       155.4540 114.2998 35.88942 192.1427 13.88893 -77.84290      38.48315 
1 1 1 -10 38 2  o 123.9705 16.50042 480.6239       116.9913 611.2256       272.0324 450.9870       129.5874 127.6546 35.20015 118.7280 19.27067 8.926620       40.12991 
1 1 1 -10 38 3  o 106.4859 19.45793 365.1518       117.0412 89.62075       286.2878 420.4446       128.2484 78.29875 33.89270 114.2411 19.86230 -35.94238      39.28392 
1 1 1 -10 38 4  o 142.7059 14.80486 628.0098       122.1091 362.7617       270.9917 695.5870       136.7823 100.0084 36.08588 149.7552 15.81238 -49.74686      39.39825 
1 1 1 -10 38 5  o 145.9252 14.18316 654.1425       119.8524 928.8115       297.7584 601.0368       130.9271 160.3649 32.76754 138.7743 16.40353 21.59062       36.64406 
1 1 1 -10 38 6  o 222.0752 10.83267 1482.923       140.6611 1805.682       323.6389 1407.755       156.1839 234.5098 23.86354 215.5293 12.40849 18.98050       26.89683 
1 1 1 -10 38 7  o 67.04430 23.46846 138.2559       113.8257 0.000000       0.000000 138.2559       113.8257 ?        ?        67.04430 23.46846 0.000000       23.46846 
1 1 1 -10 38 8  o 78.86804 22.93466 207.8248       112.4133 631.7758       338.5325 155.2849       119.1756 123.9346 40.48964 70.02850 24.03995 53.90614       47.08854 
1 1 1 -10 38 9  o 98.24179 19.27017 313.2558       107.0595 254.0011       355.8833 319.1517       112.2596 92.43645 38.81710 98.81511 20.05692 -6.378654      43.69264 
1 1 1 -10 38 10 o 98.39133 19.13196 314.1479       106.4228 74.35964       360.1385 337.0905       111.3977 81.95586 36.63050 101.9020 19.34727 -19.94609      41.42597 
1 1 1 -10 38 11 o 55.16527 21.52511 71.77661       100.5736 -216.7227      369.3050 94.88705       104.5242 69.85990 33.19296 59.13027 22.22147 10.72963       39.94454 
1 1 1 -10 38 12 o 52.84893 21.69880 47.30980       107.7202 22.50139       378.2225 49.49977       112.3741 79.94788 36.45683 53.87265 22.14554 26.07523       42.65590 
1 1 1 -10 38 13 o 58.77701 22.59669 90.03031       109.6090 -187.7799      404.4030 112.0570       113.8714 73.15173 34.75054 62.45193 23.24964 10.69979       41.81083 
1 1 1 -10 38 14 o 114.2301 18.36757 421.5864       118.8797 169.2889       425.7285 442.9227       123.8044 88.31794 39.62367 116.9619 18.67631 -28.64400      43.80457 
1 1 1 -10 38 15 o 126.6202 17.04579 511.6711       123.3692 -241.6909      424.4210 581.1995       128.9366 71.93778 34.55813 135.3305 16.59212 -63.39271      38.33488 
1 1 1 -10 38 16 o 63.10105 23.03322 121.4319       110.8340 273.1048       455.1754 111.8722       114.2734 92.50648 41.27485 61.94849 23.24438 30.55799       47.36997 
1 1 1 -10 38 17 o 40.48896 18.67690 -59.05435      103.2106 -961.6119      441.9355 -6.987269      106.1459 56.92487 28.68209 45.88173 20.22896 11.04315       35.09805 
1 1 1 -10 38 18 o 48.16973 21.20986 -2.522667      116.3315 0.000000       0.000000 -2.522667      116.3315 ?        ?        48.16973 21.20986 0.000000       21.20986 
1 1 1 -10 38 19 o 58.07356 22.45748 91.72731       108.7183 537.6142       425.2198 60.54103       112.4561 104.3388 43.00403 54.36805 22.22925 49.97079       48.40956 
1 1 1 -10 38 20 o 108.5293 19.48464 392.7865       119.4620 831.0012       421.1975 354.4514       124.5777 124.3775 44.97385 101.6226 21.57055 22.75487       49.87921 
1 1 1 -10 38 21 f 44.37843 20.31821 -46.94698      119.0267 0.000000       0.000000 -46.94698      119.0267 ?        ?        44.37843 20.31821 0.000000       20.31821 
1 1 1 -10 38 22 o 48.59698 21.41445 2.936514       118.7998 239.8843       428.5090 -16.79213      123.6466 85.66676 38.96376 47.63072 21.36293 38.03605       44.43591 
1 1 1 -10 38 23 o 77.42854 25.40729 219.6750       133.2346 0.000000       0.000000 219.6750       133.2346 ?        ?        77.42854 25.40729 0.000000       25.40729 
1 1 1 -10 38 24 o 70.25753 24.81970 173.8890       127.5173 411.2014       435.3937 151.6230       133.3653 91.96714 40.73890 67.23945 25.13551 24.72769       47.86911 
1 1 1 -10 38 25 o 87.64716 25.48877 288.7972       138.8423 0.000000       0.000000 288.7972       138.8423 ?        ?        87.64716 25.48877 0.000000       25.48877 
1 1 1 -10 38 26 o 86.64876 25.62418 285.4545       139.3164 0.000000       0.000000 285.4545       139.3164 ?        ?        86.64876 25.62418 0.000000       25.62418 
1 1 1 -10 38 27 o 68.53663 25.66768 165.3376       139.2039 0.000000       0.000000 165.3376       139.2039 ?        ?        68.53663 25.66768 0.000000       25.66768 
1 1 1 -10 38 28 o 53.24772 23.49169 23.22095       143.3650 0.000000       0.000000 23.22095       143.3650 ?        ?        53.24772 23.49169 0.000000       23.49169 
1 1 1 -10 39 1  f 92.50061 22.30444 286.6631       119.5823 34.13490       284.9609 340.6389       131.7437 73.80294 32.81054 100.7403 22.82845 -26.93733      39.97086 
1 1 1 -10 39 2  o 87.64023 35.52341 234.2404       284.2294 234.2404       284.2294 0.000000       0.000000 87.64023 35.52341 ?        ?        0.000000       35.52341 
1 1 1 -10 39 3  o 99.05306 20.45061 322.3138       114.8643 392.6199       299.2073 310.1614       124.3959 101.5721 37.71138 96.16005 22.46514 5.412025       43.89568 
1 1 1 -10 39 4  o 138.8858 15.30789 600.0063       122.6220 665.3443       319.7381 588.7394       132.7742 127.7126 39.05900 136.7173 16.92000 -9.004684      42.56632 
1 1 1 -10 39 5  o 149.1772 14.40610 687.3262       124.4713 1136.863       323.4134 609.1614       134.8592 176.5767 32.42468 139.0722 16.87961 37.50449       36.55518 
1 1 1 -10 39 6  o 201.7274 19.88074 1306.255       232.1521 1009.849       309.3181 1688.578       351.2995 165.2985 33.06273 221.1391 27.69254 -55.84052      43.12796 
1 1 1 -10 39 7  o 254.9748 10.54196 1957.135       157.3009 2339.651       343.0482 1855.296       177.0063 267.5829 22.05545 247.1219 12.25132 20.46104       25.22971 
1 1 1 -10 39 8  o 69.28386 24.55844 151.6799       124.9339 0.000000       0.000000 151.6799       124.9339 ?        ?        69.28386 24.55844 0.000000       24.55844 
1 1 1 -10 39 9  o 154.0415 13.58432 730.8558       121.4669 938.5724       329.3539 698.1552       130.6788 153.7077 36.98613 149.7045 15.08970 4.003281       39.94587 
1 1 1 -10 39 10 o 49.36719 21.10685 18.72754       108.4441 32.90192       362.1047 17.33098       113.6609 78.37472 35.71328 50.15788 21.53001 28.21684       41.70108 
1 1 1 -10 39 11 o 149.5675 14.65581 696.7294       126.9091 259.5919       390.9080 748.2316       134.1770 91.02134 39.50116 154.8527 14.96044 -63.83135      42.23927 
1 1 1 -10 39 12 o 107.0059 19.31076 376.2518       116.7293 -91.28573      401.2971 419.4673       122.0049 75.06567 35.34526 113.2731 19.04015 -38.20741      40.14742 
1 1 1 -10 39 13 o 74.65238 23.39178 190.8372       113.8791 -107.0209      411.4643 215.5454       118.5083 74.85653 35.41094 78.85570 23.70947 -3.999168      42.61542 
1 1 1 -10 39 14 o 144.6772 14.54634 654.3324       121.7521 406.5786       449.1843 673.9780       126.4872 98.43671 42.53156 146.6209 14.91706 -48.18417      45.07164 
1 1 1 -10 39 15 o 92.28608 21.36378 290.3538       113.3428 316.0360       440.4276 288.5323       117.2934 93.08112 41.11519 91.57718 22.09512 1.503937       46.67604 
1 1 1 -10 39 16 o 123.1958 16.83807 487.8247       118.4770 579.8842       445.1158 480.8053       122.9109 106.7868 44.00432 121.7311 17.73741 -14.94432      47.44466 
1 1 1 -10 39 17 o 150.0116 14.83055 708.2075       128.7711 191.0073       433.8820 758.1646       134.8469 85.83361 39.10470 155.1254 15.00931 -69.29174      41.88624 
1 1 1 -10 39 18 o 109.6147 20.00957 403.8937       123.8959 994.8528       430.2400 350.4563       129.3764 136.0613 45.68938 100.2228 22.55704 35.83858       50.95429 
1 1 1 -10 39 19 o 52.88456 22.30662 44.15783       118.3525 178.6131       406.6652 31.71568       123.7074 82.79987 37.77480 52.33838 22.46360 30.46149       43.94939 
1 1 1 -10 39 20 o 70.24362 24.20074 171.7747       120.8089 730.9995       402.5768 116.4307       126.6459 115.0278 43.52607 62.49169 24.21874 52.53608       49.81030 
1 1 1 -10 39 21 o 96.08238 31.24541 379.8238       201.7160 261.4366       399.0291 420.4624       233.7877 84.92822 38.21059 98.57219 33.67548 -13.64397      50.93218 
1 1 1 -10 39 22 o 98.03761 23.53982 346.6149       133.6342 349.6634       405.6422 346.2437       141.5351 88.87988 39.34931 96.97736 24.79270 -8.097481      46.50856 
1 1 1 -10 39 23 o 129.1725 18.81723 558.4518       138.3663 714.3426       405.0105 537.8527       147.2244 110.4512 43.16694 125.0942 20.79740 -14.64295      47.91572 
1 1 1 -10 39 24 o 72.16175 25.56762 190.0900       135.4003 -188.3988      386.5797 243.0142       144.5572 65.91470 31.98423 79.74924 26.47772 -13.83453      41.52181 
1 1 1 -10 39 25 o 43.89927 20.58439 -81.52692      133.6561 0.000000       0.000000 -81.52692      133.6561 ?        ?        43.89927 20.58439 0.000000       20.58439 
1 1 1 -10 39 26 o 60.17239 24.34581 102.0643       133.2280 310.5633       451.9092 82.21794       139.4246 84.66080 39.06287 58.51675 24.41507 26.14406       46.06521 
1 1 1 -10 39 27 o 57.39788 24.33934 71.33826       142.1464 0.000000       0.000000 71.33826       142.1464 ?        ?        57.39788 24.33934 0.000000       24.33934 
1 1 1 -10 40 1  o 113.3269 20.24092 422.6736       129.5914 -216.6285      284.4286 590.1530       145.5797 60.44212 28.83383 135.2042 18.87305 -74.76208      34.46131 
1 1 1 -10 40 2  o 118.7764 18.45383 455.5960       124.3777 -59.57085      302.2896 560.5837       136.4641 69.11345 31.91037 132.1939 18.07462 -63.08047      36.67374 
1 1 1 -10 40 3  o 65.58078 23.84497 131.7078       118.6186 269.3649       297.4626 105.6791       129.3478 88.99538 36.24165 62.89021 24.44726 26.10518       43.71643 
1 1 1 -10 40 4  o 126.0083 17.29931 507.0952       124.4725 255.5131       300.0973 559.3699       136.7943 87.86279 36.16133 131.9022 18.16526 -44.03938      40.46750 
1 1 1 -10 40 5  o 148.5260 15.11043 689.7255       129.7917 641.2852       299.5640 700.9203       144.0107 123.6768 37.80322 148.6694 16.81126 -24.99260      41.37272 
1 1 1 -10 40 6  o 130.2884 17.78689 545.2093       132.3665 1347.637       336.1890 397.9955       143.9975 191.3494 31.01859 107.6004 23.48003 83.74905       38.90328 
1 1 1 -10 40 7  o 128.6047 18.09654 533.5217       132.7208 709.2443       312.3376 494.8012       146.6159 129.0081 38.42163 121.7223 21.31433 7.285782       43.93771 
1 1 1 -10 40 8  o 134.8334 16.23270 576.3785       125.7836 974.3832       302.9075 493.4480       138.2685 158.8643 33.56431 122.3678 19.95358 36.49648       39.04751 
1 1 1 -10 40 9  o 114.0542 30.84202 495.7501       211.2198 783.5839       308.1937 240.8072       290.0510 136.9059 37.35353 85.32923 35.37593 51.57662       51.44650 
1 1 1 -10 40 10 o 103.2122 20.96909 358.5257       122.5942 54.51263       327.4649 408.0802       132.2087 75.63132 34.26554 110.1111 21.24256 -34.47975      40.31593 
1 1 1 -10 40 11 o 55.28452 22.58748 62.27766       116.0055 161.5900       351.5999 50.14613       122.8867 82.40224 36.55001 54.82877 22.90222 27.57347       43.13252 
1 1 1 -10 40 12 o 94.14538 22.73843 307.6280       124.1229 -353.5783      404.7137 376.2789       130.4075 66.01163 32.18766 104.9573 21.89497 -38.94571      38.92859 
1 1 1 -10 40 13 o 110.2216 19.26641 402.3799       120.0110 634.7185       437.3686 383.4624       124.8012 110.2833 44.29068 106.6263 20.70400 3.657051       48.89090 
1 1 1 -10 40 14 o 83.62875 22.58234 244.5208       113.3333 94.13615       429.9902 255.7480       117.4877 81.59269 37.80754 85.33016 22.97124 -3.737473      44.23899 
1 1 1 -10 40 15 o 68.77721 23.03632 161.2936       109.3786 283.0587       443.5429 153.4093       112.8643 89.24565 40.20777 67.54409 23.38591 21.70156       46.51414 
1 1 1 -10 40 16 o 76.68892 24.26583 209.8438       122.2633 683.1424       448.3019 171.8114       127.0807 109.9753 44.59995 70.61474 24.79134 39.36058       51.02711 
1 1 1 -10 40 17 o 97.30206 22.75648 334.0551       127.5315 580.7151       434.1302 310.7587       133.4181 103.3845 43.10470 92.71166 24.26117 10.67284       49.46332 
1 1 1 -10 40 18 o 58.10364 23.71983 81.36946       127.7996 414.3386       409.3606 45.41217       134.5233 93.25945 40.44787 55.00533 23.51257 38.25412       46.78537 
1 1 1 -10 40 19 o 71.43093 25.23912 180.7846       131.8685 643.4553       394.6149 122.6235       139.9117 107.5302 42.43291 63.98070 25.26057 43.54952       49.38268 
1 1 1 -10 40 20 o 76.29503 25.78988 214.5918       137.0762 227.9509       385.5383 212.6587       146.6590 82.47126 37.29028 75.88443 26.63334 6.586830       45.82466 
1 1 1 -10 40 21 o 64.62641 25.20018 131.9609       137.7748 517.8959       364.2555 67.53023       148.8316 98.68932 40.13619 58.45932 24.85181 40.23001       47.20727 
1 1 1 -10 40 22 o 154.1232 16.43211 773.1304       146.2412 599.2707       334.4148 814.2402       162.6143 105.8981 39.75779 156.6762 18.02527 -50.77811      43.65309 
1 1 1 -10 40 23 o 52.10209 22.97615 18.49156       136.9993 221.5349       295.5053 -37.09748      154.6199 78.26963 34.15062 50.24482 23.06120 28.02481       41.20781 
1 1 1 -10 40 24 o 40.77291 19.50254 -127.1102      131.9731 297.5723       291.4716 -236.6274      148.0148 83.07817 35.02218 38.42556 18.88709 44.65261       39.79039 
1 1 1 -10 40 25 o 98.33979 24.15407 360.5981       138.2783 170.2412       311.3606 407.3673       154.3332 74.87354 33.71423 103.3329 25.59955 -28.45931      42.33186 
1 1 1 -10 41 1  o 83.23737 25.50949 245.6168       136.2917 711.8756       300.1823 124.5420       152.9672 129.8788 37.39156 66.89194 26.41195 62.98681       45.77903 
1 1 1 -10 41 2  o 165.7490 14.61664 857.4155       140.6310 928.2475       327.0868 841.3524       155.7629 149.5696 37.39176 162.8275 16.54050 -13.25789      40.88682 
1 1 1 -10 41 3  o 109.6157 20.72010 402.1679       128.3241 305.5573       323.7816 420.1711       139.7701 90.71385 37.47057 111.1005 22.22774 -20.38666      43.56737 
1 1 1 -10 41 4  o 177.7094 15.26988 990.9154       157.6048 1063.309       319.1450 967.5663       181.2475 164.7297 34.15631 173.3555 18.09328 -8.625748      38.65256 
1 1 1 -10 41 5  o 162.3472 15.29309 828.6071       143.8944 960.1158       342.1760 800.3543       158.5999 149.8973 38.66842 158.0068 17.40284 -8.109482      42.40408 
1 1 1 -10 41 6  o 167.6733 16.91455 897.1425       164.0604 1085.637       340.6136 840.2022       187.2072 162.8141 36.56758 159.2979 20.51406 3.516190       41.92869 
1 1 1 -10 41 7  o 68.25564 25.40486 147.9031       135.9475 0.000000       0.000000 147.9031       135.9475 ?        ?        68.25564 25.40486 0.000000       25.40486 
1 1 1 -10 41 8  o 110.1360 21.08992 410.0897       131.2653 616.7026       320.7358 368.5200       143.8656 116.0916 39.44775 102.0302 24.37676 14.06143       46.37188 
1 1 1 -10 41 9  o 110.6198 20.90711 413.2692       130.6681 764.7925       310.1270 337.3955       144.0815 132.3546 37.97523 96.90515 25.13984 35.44946       45.54261 
1 1 1 -10 41 10 f 84.84698 23.59610 254.9333       121.6655 108.2593       301.9225 283.3682       132.9368 75.61447 33.68474 88.85636 24.64748 -13.24189      41.73919 
1 1 1 -10 41 11 o 69.80201 24.29968 165.8365       121.9355 -132.9569      320.4381 216.4278       131.8550 65.31140 30.99922 77.77768 25.25952 -12.46628      39.98744 
1 1 1 -10 41 12 f 61.98972 23.88102 112.8819       122.6004 -41.74894      353.2648 134.0565       130.7254 71.15619 33.39698 65.45541 24.79509 5.700783       41.59513 
1 1 1 -10 41 13 o 79.28265 24.57126 226.6275       126.0249 607.7256       395.9500 183.6683       132.9384 107.2780 42.45094 72.42285 25.36154 34.85514       49.44987 
1 1 1 -10 41 14 o 85.50372 23.65116 262.7448       122.5963 499.7783       418.5962 240.5054       128.2186 98.83534 41.83270 81.33109 24.70665 17.50425       48.58388 
1 1 1 -10 41 15 f 38.10367 18.29657 -135.2621      118.6735 206.5324       409.6253 -166.5785      123.9910 83.04615 37.89669 37.48041 18.16970 45.56574       42.02734 
1 1 1 -10 41 16 o 92.48952 24.36201 312.6102       133.9583 277.8337       392.8829 317.1850       142.4972 85.55608 38.24818 92.33364 25.48251 -6.777565      45.95956 
1 1 1 -10 41 17 o 80.55051 23.91665 236.3934       121.1708 -72.30879      368.0465 273.9214       128.3248 69.43630 33.03296 86.40469 24.30780 -16.96838      41.01275 
1 1 1 -10 41 18 o 50.26023 22.50153 -6.259626      136.5046 -9.007706      374.0747 -5.837474      146.6149 71.77856 33.89742 51.79688 23.24460 19.98169       41.10166 
1 1 1 -10 41 19 o 155.5842 16.29135 785.1895       146.4514 1621.379       375.1095 634.8061       159.0764 197.6966 33.55069 136.0530 20.57863 61.64354       39.35898 
1 1 1 -10 41 20 o 76.23520 26.25873 219.4794       142.2264 195.8242       337.3930 224.5914       156.8430 78.11264 35.14067 76.67766 27.47993 1.434982       44.60956 
1 1 1 -10 41 21 o 61.98352 25.47157 106.3283       148.6025 1.890781       328.5520 133.1879       166.6194 68.46123 32.15598 66.05061 27.03800 2.410614       42.01263 
1 1 1 -10 41 22 o 89.35354 26.91066 313.1865       152.5771 839.9273       343.2963 183.5251       170.3241 125.7490 40.75163 71.47598 27.97619 54.27306       49.43037 
1 1 1 -10 41 23 f 57.12496 25.04571 46.99195       160.6385 282.4112       318.1862 -33.53708      186.0958 81.40482 35.47912 54.25521 25.04561 27.14961       43.42868 
1 1 1 -10 42 1  o 91.91318 24.16385 301.2063       131.9512 888.4646       322.1608 182.8311       144.6400 143.2355 37.80468 73.04893 26.36282 70.18658       46.08896 
1 1 1 -10 42 2  o 105.8779 24.03839 396.4684       145.8441 -228.7310      350.3156 527.5502       160.4063 64.65184 31.14435 123.4732 22.99722 -58.82134      38.71489 
1 1 1 -10 42 3  o 74.70905 25.21409 196.1257       131.0228 -135.2004      312.5367 266.7717       144.3169 64.67930 30.67458 85.35686 26.26651 -20.67757      40.38390 
1 1 1 -10 42 4  o 102.4324 23.37765 369.0279       137.3329 -267.0932      329.3751 502.8868       151.0930 61.44489 29.74590 121.1083 22.08610 -59.66338      37.04881 
1 1 1 -10 42 5  o 74.37759 25.16185 194.6987       130.4822 477.1513       324.6690 140.2895       142.4966 101.5814 38.93171 67.15716 25.77842 34.42426       46.69267 
1 1 1 -10 42 6  o 93.45745 24.63328 315.0152       136.8998 125.1566       337.8879 352.3029       149.7409 77.95588 35.10996 98.15945 25.71008 -20.20357      43.51686 
1 1 1 -10 42 7  o 114.3146 20.96567 444.5447       135.3814 295.5487       320.7725 476.8365       149.3331 87.28716 36.76531 117.2711 22.53132 -29.98399      43.12016 
1 1 1 -10 42 8  o 110.4798 22.58127 425.4450       141.3678 643.9320       334.5739 377.9605       155.9750 114.7831 40.23144 101.2167 26.10542 13.56640       47.95896 
1 1 1 -10 42 9  o 127.7672 18.60222 539.1645       135.3010 41.53197       331.7476 638.4542       148.1854 72.94525 33.58939 139.1581 18.62427 -66.21284      38.40717 
1 1 1 -10 42 10 o 97.79632 23.27192 340.3911       131.5345 25.23149       309.6606 409.7739       145.2936 70.47398 32.45163 107.2264 23.73251 -36.75243      40.20374 
1 1 1 -10 42 11 o 85.87604 24.96599 271.1912       133.2239 223.9154       318.9123 281.1854       146.6312 81.41663 35.50135 86.50900 26.44938 -5.092361      44.27093 
1 1 1 -10 42 12 o 144.5685 17.23378 681.4172       143.2447 577.2427       377.1827 698.9746       154.8460 104.1288 41.35968 145.2801 18.59980 -41.15128      45.34948 
1 1 1 -10 42 13 o 95.29266 23.71683 328.2472       132.0185 516.3358       376.9459 301.9501       140.9456 99.50375 40.69251 89.98581 25.53042 9.517937       48.03835 
1 1 1 -10 42 14 o 91.27378 24.16653 304.6677       131.3812 614.7115       364.9327 258.4987       140.8240 106.9150 41.19801 82.93813 26.01584 23.97688       48.72474 
1 1 1 -10 42 15 o 51.89619 22.77746 18.17735       133.1787 -27.38054      357.5278 25.51720       143.5065 70.11202 33.11910 53.99543 23.67309 16.11659       40.70983 
1 1 1 -10 42 16 o 64.40282 25.11070 131.3848       136.7882 -8.890879      359.1555 155.1848       147.9379 70.49197 33.26701 67.93990 26.21718 2.552063       42.35604 
1 1 1 -10 42 17 o 74.57037 27.58069 207.9893       159.7663 -348.0843      345.6089 359.1169       180.1734 58.43577 28.74981 93.78300 29.42825 -35.34723      41.14090 
1 1 1 -10 42 18 o 92.51386 26.85649 333.4087       154.2656 -55.34529      328.5191 443.3797       174.7279 66.28968 31.44147 106.3283 27.73474 -40.03861      41.92591 
1 1 1 -10 42 19 o 43.35900 20.53348 -104.8442      139.0712 -25.87709      338.7451 -120.8523      152.5173 67.91424 32.12775 44.69830 21.26439 23.21594       38.52748 
1 1 1 -10 42 20 o 118.0371 22.92262 501.3146       152.9624 1125.584       352.6572 356.6539       169.7626 152.4439 39.22055 93.88752 28.40964 58.55634       48.42891 
1 1 1 -10 42 21 o 52.23833 23.99967 -29.15854      168.0233 -276.0409      355.6726 41.76709       190.6369 60.27258 29.55479 59.62648 26.65055 0.6460953      39.79620 
1 1 1 -10 43 1  o 71.09913 25.68151 175.2510       137.2974 589.8957       316.7384 79.31338       152.3552 110.4198 39.10659 60.65029 25.42887 49.76953       46.64711 
1 1 1 -10 43 2  o 98.18739 24.59931 350.1529       141.3449 178.9775       338.7804 386.2292       155.5280 79.81398 35.61034 102.1797 25.91813 -22.36574      44.04368 
1 1 1 -10 43 3  o 152.4311 17.23540 754.9932       151.3801 452.6075       308.1868 851.1513       173.7906 98.34602 37.86921 160.4776 18.82286 -62.13159      42.28921 
1 1 1 -10 43 4  o 114.7740 22.92390 463.3314       148.9019 612.2961       330.3990 425.3644       166.8015 110.8955 39.86710 106.5515 26.73869 4.343987       48.00357 
1 1 1 -10 43 5  o 66.63917 26.37389 136.0429       152.8540 -66.40604      305.1465 203.8578       176.6091 65.70875 30.90273 75.47588 28.76600 -9.767128      42.21921 
1 1 1 -10 43 6  o 105.0748 24.64593 401.2919       149.2363 194.9268       336.6795 451.7527       166.4852 80.14638 35.64531 110.3544 26.13034 -30.20798      44.19709 
1 1 1 -10 43 7  o 86.95965 26.80573 286.6845       150.2249 462.1164       342.7703 244.9768       167.1311 97.18683 39.14708 80.35151 28.41190 16.83532       48.37075 
1 1 1 -10 43 8  o 123.9526 21.83172 532.5611       152.9113 605.3160       340.5982 514.1952       171.1264 108.5824 40.25006 118.5797 25.37362 -9.997253      47.58033 
1 1 1 -10 43 9  o 120.0657 20.59357 492.6651       139.7930 1001.632       351.8661 397.2733       152.3309 144.9479 40.05861 103.7724 25.26899 41.17548       47.36258 
1 1 1 -10 43 10 o 106.4429 23.24998 404.9080       141.0688 634.3066       406.2294 373.4508       150.4305 105.6351 42.59340 100.1787 25.53271 5.456367       49.66001 
1 1 1 -10 43 11 o 108.1096 22.39791 413.0726       137.3380 1464.387       387.2405 261.8095       146.8862 181.9417 37.53699 82.92207 26.63747 99.01962       46.02804 
1 1 1 -10 43 12 o 79.30695 25.91885 236.7544       138.7158 -109.1767      365.0713 295.1263       149.9632 67.37668 32.28364 87.57130 26.74318 -20.19462      41.92173 
1 1 1 -10 43 13 f 82.68798 25.92443 260.1345       139.8535 18.21739       357.2699 303.9126       151.9818 71.25164 33.48714 88.52624 26.90022 -17.27460      42.95358 
1 1 1 -10 43 14 o 73.03357 26.12683 196.7961       141.7099 65.23248       332.5727 225.9823       156.6418 71.68260 33.22750 76.90491 27.47372 -5.222305      43.11464 
1 1 1 -10 43 15 o 70.52976 26.55754 178.2027       149.4559 592.9987       338.9913 78.12152       166.5128 104.4705 39.84466 60.83063 26.08432 43.63987       47.62340 
1 1 1 -10 43 16 o 73.91110 27.98336 204.1193       166.4534 -370.9833      323.9698 410.3882       194.0210 55.79373 27.52374 98.97818 30.45522 -43.18445      41.04969 
1 1 1 -10 43 17 o 139.2419 22.47207 688.0278       177.2652 491.1830       326.6111 770.2243       211.0551 96.44271 38.42820 143.3484 26.06437 -46.90574      46.43359 
1 1 1 -10 43 18 o 51.33770 23.34761 -16.09866      153.8120 244.0143       330.5899 -87.96220      173.7652 79.31671 35.29617 49.49189 23.28960 29.82483       42.28741 
1 1 1 -10 44 1  o 62.21258 24.63016 113.0788       133.3511 18.82997       318.4856 133.1143       146.8426 69.89764 32.44013 65.59766 25.88498 4.299973       41.50174 
1 1 1 -10 44 2  o 59.11681 24.57164 80.66814       140.4417 20.81446       326.1243 94.29509       155.6098 70.41444 32.73014 62.00611 25.82604 8.408333       41.69228 
1 1 1 -10 44 3  o 51.31343 22.95634 -3.649467      141.8010 -43.30815      332.7611 5.150105       156.7451 68.07035 32.09275 54.11467 24.17785 13.95568       40.18101 
1 1 1 -10 44 4  o 60.58344 25.31335 86.19909       150.1888 -152.6498      354.7746 138.3501       165.7763 65.53511 31.51161 67.23299 27.17361 -1.697884      41.60993 
1 1 1 -10 44 5  o 72.26028 26.96051 186.7209       153.2872 459.8474       363.3635 127.5918       169.0675 95.03014 39.51332 66.26067 27.19251 28.76947       47.96598 
1 1 1 -10 44 6  f 197.3597 15.33977 1245.293       176.1597 1385.959       380.6973 1206.968       198.7137 175.3337 38.11233 191.4806 17.90262 -16.14690      42.10764 
1 1 1 -10 44 7  o 97.53267 26.34861 362.7971       154.2477 683.0322       381.3072 300.1411       168.6637 109.4177 42.12528 86.89367 28.59031 22.52402       50.91115 
1 1 1 -10 44 8  o 91.21637 27.52364 326.1422       159.4985 -118.9910      391.8192 414.5546       174.6213 68.43411 32.95910 102.5387 28.17375 -34.10460      43.35968 
1 1 1 -10 44 9  o 110.3854 25.25090 453.6162       159.9145 743.3753       424.3194 405.6477       172.6444 109.3446 43.72331 101.3588 28.07803 7.985725       51.96252 
1 1 1 -10 44 10 o 100.8015 25.46905 382.7153       150.5998 -89.02023      396.2064 462.3816       162.8206 69.35896 33.33751 111.1523 25.51730 -41.79338      41.98240 
1 1 1 -10 44 11 o 149.4133 18.82959 749.7936       161.3422 417.7857       413.4568 809.4326       175.2351 90.04156 39.80157 154.2742 19.82539 -64.23269      44.46585 
1 1 1 -10 44 12 o 71.31447 26.34145 184.9899       145.6470 -352.7271      405.9728 264.4227       156.0343 62.57941 30.85976 82.07359 27.51452 -19.49418      41.34457 
1 1 1 -10 44 13 o 78.43978 27.61831 239.5867       157.7957 197.4465       384.1560 248.1398       173.0702 79.00985 36.29544 79.18407 28.80089 -0.1742249     46.33411 
1 1 1 -10 44 14 o 81.96944 27.62004 266.6822       157.2210 303.0592       330.8766 256.0737       178.6812 83.13489 36.20722 79.76850 29.22503 3.366386       46.53026 
1 1 1 -10 44 15 o 70.90913 27.87387 182.4686       169.6993 -237.8926      339.0617 322.9608       196.0169 60.18356 29.37120 86.77621 30.76123 -26.59265      42.53141 
1 1 1 -10 45 1  o 59.64849 25.34410 75.97296       154.6476 -34.18147      347.1590 103.2436       172.7329 68.53838 32.45304 63.80627 26.93272 4.732105       42.17311 
1 1 1 -10 45 2  f 82.95032 27.50377 268.9866       155.9912 -322.0167      374.0458 393.4147       171.6284 61.35072 30.12911 99.66739 28.13697 -38.31667      41.22441 
1 1 1 -10 45 3  o 73.57954 26.80538 200.5809       150.0028 -216.7778      389.6208 273.2078       162.5310 65.20763 31.74789 83.17369 28.08263 -17.96606      42.38587 
1 1 1 -10 45 4  o 70.49467 26.78219 176.5156       152.7868 34.68494       392.4480 201.8529       165.8736 73.30837 34.64996 73.83540 27.93914 -0.5270233     44.51085 
1 1 1 -10 45 5  o 106.0456 27.37739 437.3896       171.4323 -19.61161      417.2652 530.1943       188.0350 72.53256 34.68956 116.7240 27.85662 -44.19144      44.48996 
1 1 1 -10 45 6  o 69.03999 27.55091 159.7606       168.1325 1067.894       425.7408 -8.042437      183.0080 133.4411 45.44696 55.94997 25.45381 77.49110       52.08957 
1 1 1 -10 45 7  o 144.2614 22.14994 732.2119       181.4215 -84.15343      431.4252 907.5854       199.9610 71.04568 34.30833 161.3000 21.68680 -90.25436      40.58791 
1 1 1 -10 45 8  o 86.58529 29.05971 305.3191       174.0473 683.2986       411.5977 223.0166       192.0636 105.1517 42.70160 76.23246 29.74570 28.91923       52.04069 
1 1 1 -10 45 9  o 122.5003 23.15279 540.7476       160.2446 432.5937       396.0180 561.9231       175.2310 90.22168 39.44638 122.8601 25.16638 -32.63841      46.79064 
1 1 1 -10 45 10 o 63.96857 26.22077 122.1792       156.9631 -80.02035      395.8280 159.9070       170.9809 68.71500 33.10269 68.68078 27.65422 0.3422546E-01  43.13402 
1 1 1 -9  0  1  o 1424.667 32.72663 60292.45       2731.162 60292.45       2731.162 60292.45       2731.162 1424.667 32.72663 1424.667 32.72663 -0.000000      0.000000 
1 1 1 -9  0  2  o 110.3140 17.49997 383.7350       104.6993 383.7350       104.6993 383.7350       104.6993 110.3140 17.49997 110.3140 17.49997 -0.000000      0.000000 
1 1 1 -9  0  3  o 77.03623 23.28542 216.3673       91.74179 216.3673       91.74179 216.3673       91.74179 77.03623 23.28542 77.03623 23.28542 -0.000000      0.000000 
1 1 1 -9  0  4  o 451.9361 12.13231 6012.085       321.0429 6012.085       321.0429 6012.085       321.0429 451.9361 12.13231 451.9361 12.13231 0.000000       0.000000 
1 1 1 -9  0  5  o 303.3973 10.06506 2711.253       178.6460 2711.253       178.6460 2711.253       178.6460 303.3973 10.06506 303.3973 10.06506 0.000000       0.000000 
1 1 1 -9  0  6  o 37.55263 22.01995 48.43494       81.54068 48.43494       81.54068 48.43494       81.54068 37.55263 22.01995 37.55263 22.01995 -0.000000      0.000000 
1 1 1 -9  0  7  o 254.4078 9.569504 1907.850       142.3217 1907.850       142.3217 1907.850       142.3217 254.4078 9.569504 254.4078 9.569504 0.000000       0.000000 
1 1 1 -9  0  8  o 405.5192 11.18292 4839.113       265.5033 4839.113       265.5033 4839.113       265.5033 405.5192 11.18292 405.5192 11.18292 0.000000       0.000000 
1 1 1 -9  0  9  o 40.58966 21.86526 68.91818       72.10493 68.91818       72.10493 68.91818       72.10493 40.58966 21.86526 40.58966 21.86526 0.000000       0.000000 
1 1 1 -9  0  10 o 577.4792 14.26734 9811.952       482.5370 9811.952       482.5370 9811.952       482.5370 577.4792 14.26734 577.4792 14.26734 -0.000000      0.000000 
1 1 1 -9  0  11 o 39.20575 21.27301 63.69986       68.72799 63.69986       68.72799 63.69986       68.72799 39.20575 21.27301 39.20575 21.27301 0.000000       0.000000 
1 1 1 -9  0  12 o 116.7184 12.08083 412.4788       80.48825 412.4788       80.48825 412.4788       80.48825 116.7184 12.08083 116.7184 12.08083 0.000000       0.000000 
1 1 1 -9  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  14 o 851.3511 19.93064 21330.63       993.8999 21330.63       993.8999 21330.63       993.8999 851.3511 19.93064 851.3511 19.93064 0.000000       0.000000 
1 1 1 -9  0  15 o 1712.827 55.65398 87639.16       5577.241 87639.16       5577.241 87639.16       5577.241 1712.827 55.65398 1712.827 55.65398 -0.000000      0.000000 
1 1 1 -9  0  16 o 1097.712 25.31513 35509.55       1627.786 35509.55       1627.786 35509.55       1627.786 1097.712 25.31513 1097.712 25.31513 -0.000000      0.000000 
1 1 1 -9  0  17 o 983.0972 22.84169 28468.40       1315.362 28468.40       1315.362 28468.40       1315.362 983.0972 22.84169 983.0972 22.84169 0.000000       0.000000 
1 1 1 -9  0  18 o 353.7783 11.27968 3684.061       233.4944 3684.061       233.4944 3684.061       233.4944 353.7783 11.27968 353.7783 11.27968 0.000000       0.000000 
1 1 1 -9  0  19 o 617.5025 15.30899 11218.71       553.6461 11218.71       553.6461 11218.71       553.6461 617.5025 15.30899 617.5025 15.30899 -0.000000      0.000000 
1 1 1 -9  0  20 o 519.9652 13.37932 7953.697       407.3883 7953.697       407.3883 7953.697       407.3883 519.9652 13.37932 519.9652 13.37932 0.000000       0.000000 
1 1 1 -9  0  21 o 484.6756 12.76357 6911.702       362.2369 6911.702       362.2369 6911.702       362.2369 484.6756 12.76357 484.6756 12.76357 0.000000       0.000000 
1 1 1 -9  0  22 o 140.8509 12.85089 597.0162       104.0186 597.0162       104.0186 597.0162       104.0186 140.8509 12.85089 140.8509 12.85089 -0.000000      0.000000 
1 1 1 -9  0  23 o 180.9227 10.79463 971.2659       113.5959 971.2659       113.5959 971.2659       113.5959 180.9227 10.79463 180.9227 10.79463 0.000000       0.000000 
1 1 1 -9  0  24 o 45.28778 23.51979 88.23172       80.98369 88.23172       80.98369 88.23172       80.98369 45.28778 23.51979 45.28778 23.51979 0.000000       0.000000 
1 1 1 -9  0  25 o 154.4633 10.74462 710.9024       96.23386 710.9024       96.23386 710.9024       96.23386 154.4633 10.74462 154.4633 10.74462 0.000000       0.000000 
1 1 1 -9  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  27 o 404.6076 11.16789 4822.991       264.5495 4822.991       264.5495 4822.991       264.5495 404.6076 11.16789 404.6076 11.16789 -0.000000      0.000000 
1 1 1 -9  0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  30 o 105.9481 14.19114 347.9630       83.74572 347.9630       83.74572 347.9630       83.74572 105.9481 14.19114 105.9481 14.19114 0.000000       0.000000 
1 1 1 -9  0  31 o 46.34419 24.09067 93.22861       85.01775 93.22861       85.01775 93.22861       85.01775 46.34419 24.09067 46.34419 24.09067 -0.000000      0.000000 
1 1 1 -9  0  32 o 112.0190 16.30168 392.8447       100.4862 392.8447       100.4862 392.8447       100.4862 112.0190 16.30168 112.0190 16.30168 0.000000       0.000000 
1 1 1 -9  0  33 o 147.2602 13.87290 655.6895       117.2248 655.6895       117.2248 655.6895       117.2248 147.2602 13.87290 147.2602 13.87290 0.000000       0.000000 
1 1 1 -9  0  34 o 22.64496 16.18272 -147.5983      97.54070 -147.5983      97.54070 -147.5983      97.54070 22.64496 16.18272 22.64496 16.18272 0.000000       0.000000 
1 1 1 -9  0  35 f 30.10438 20.06606 -29.18501      96.08318 -29.18501      96.08318 -29.18501      96.08318 30.10438 20.06606 30.10438 20.06606 -0.000000      0.000000 
1 1 1 -9  0  36 o 142.8178 15.02482 622.1409       122.3574 622.1409       122.3574 622.1409       122.3574 142.8178 15.02482 142.8178 15.02482 -0.000000      0.000000 
1 1 1 -9  0  37 o 66.63573 29.85430 193.4451       124.3297 193.4451       124.3297 193.4451       124.3297 66.63573 29.85430 66.63573 29.85430 0.000000       0.000000 
1 1 1 -9  0  38 o 287.2055 9.878780 2437.657       165.9506 2437.657       165.9506 2437.657       165.9506 287.2055 9.878780 287.2055 9.878780 -0.000000      0.000000 
1 1 1 -9  0  39 o 132.2056 18.53029 549.5443       135.5849 549.5443       135.5849 549.5443       135.5849 132.2056 18.53029 132.2056 18.53029 -0.000000      0.000000 
1 1 1 -9  0  40 o 24.60929 17.74255 -227.5754      128.9068 -227.5754      128.9068 -227.5754      128.9068 24.60929 17.74255 24.60929 17.74255 -0.000000      0.000000 
1 1 1 -9  0  41 o 195.5163 11.64863 1143.536       132.4739 1143.536       132.4739 1143.536       132.4739 195.5163 11.64863 195.5163 11.64863 -0.000000      0.000000 
1 1 1 -9  0  42 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  43 o 118.4628 17.79923 449.6880       115.4282 449.6880       115.4282 449.6880       115.4282 118.4628 17.79923 118.4628 17.79923 0.000000       0.000000 
1 1 1 -9  0  44 o 102.5910 23.32923 366.3748       122.3485 366.3748       122.3485 366.3748       122.3485 102.5910 23.32923 102.5910 23.32923 -0.000000      0.000000 
1 1 1 -9  0  45 o 129.5902 17.52023 535.7706       126.3043 535.7706       126.3043 535.7706       126.3043 129.5902 17.52023 129.5902 17.52023 -0.000000      0.000000 
1 1 1 -9  0  46 o 60.61777 30.22201 178.3169       130.5775 178.3169       130.5775 178.3169       130.5775 60.61777 30.22201 60.61777 30.22201 0.000000       0.000000 
1 1 1 -9  0  47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  48 o 67.19769 31.77419 222.1808       141.7263 222.1808       141.7263 222.1808       141.7263 67.19769 31.77419 67.19769 31.77419 -0.000000      0.000000 
1 1 1 -9  0  49 f 59.80621 32.37390 185.4940       158.8022 185.4940       158.8022 185.4940       158.8022 59.80621 32.37390 59.80621 32.37390 -0.000000      0.000000 
1 1 1 -9  0  50 o 94.77696 32.67498 385.4566       163.5118 385.4566       163.5118 385.4566       163.5118 94.77696 32.67498 94.77696 32.67498 -0.000000      0.000000 
1 1 1 -9  0  51 o 115.2222 32.18062 528.6417       188.1532 528.6417       188.1532 528.6417       188.1532 115.2222 32.18062 115.2222 32.18062 -0.000000      0.000000 
1 1 1 -9  1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  1  2  o 609.7699 10.63841 10929.91       380.4464 11232.60       549.5027 10651.24       527.2516 617.3741 15.17648 601.2289 14.95297 16.14520       21.30532 
1 1 1 -9  1  3  o 464.3006 10.03481 6335.507       273.2492 5973.027       453.5150 6542.089       342.3711 449.5305 17.23404 471.3743 12.39532 -21.84381      21.22866 
1 1 1 -9  1  4  o 352.5206 7.529207 3648.755       155.6626 3678.736       220.1943 3618.803       220.0860 353.5832 10.63059 350.6790 10.71376 2.904144       15.09285 
1 1 1 -9  1  5  o 211.9652 7.065541 1320.448       87.71080 1289.073       122.6736 1353.263       125.4569 209.1893 10.02831 214.3479 10.00749 -5.158600      14.16746 
1 1 1 -9  1  6  o 298.9891 6.995179 2624.233       122.6605 2640.563       173.4945 2607.912       173.4418 299.5940 9.887748 297.7281 9.947035 1.865845       14.02537 
1 1 1 -9  1  7  o 428.8242 8.206368 5400.164       206.3863 5336.872       289.5135 5465.563       294.2938 425.8401 11.60317 430.9406 11.65500 -5.100525      16.44605 
1 1 1 -9  1  8  o 503.6409 9.101167 7450.197       268.8244 7468.869       381.1736 7431.720       379.1843 503.6940 12.91409 502.4444 12.87864 1.249603       18.23823 
1 1 1 -9  1  9  o 283.4362 6.736808 2357.628       111.9850 2300.843       157.8645 2415.147       158.8819 279.7209 9.637362 286.6068 9.465279 -6.885834      13.50815 
1 1 1 -9  1  10 o 89.49936 10.62422 238.5797       54.67903 241.4482       76.55722 235.5927       78.12217 89.36554 15.14759 88.16528 15.68350 1.200264       21.80417 
1 1 1 -9  1  11 o 122.5891 7.891247 442.8562       56.43325 450.0577       80.15283 435.7771       79.46889 123.2810 11.20833 121.2827 11.30255 1.998283       15.91774 
1 1 1 -9  1  12 o 355.9860 7.300425 3718.316       152.4164 3797.006       217.9546 3643.007       213.2218 359.4762 10.34898 352.1057 10.33662 7.370575       14.62693 
1 1 1 -9  1  13 o 642.5763 10.99021 12122.93       414.1725 12257.10       590.5729 11993.07       581.0013 645.7177 15.59482 638.7339 15.50981 6.983704       21.99438 
1 1 1 -9  1  14 o 894.9254 14.71381 23535.69       772.2582 23441.63       1088.717 23630.95       1095.591 892.1790 20.80715 895.7657 20.85468 -3.586731      29.45939 
1 1 1 -9  1  15 o 1244.868 20.10344 45628.50       1467.724 45358.84       2066.198 45903.17       2085.282 1238.665 28.44248 1246.043 28.53524 -7.377197      40.28938 
1 1 1 -9  1  16 o 531.7703 9.558015 8300.160       298.0865 8457.334       427.4329 8151.339       415.9187 536.3460 13.59950 526.5596 13.47931 9.786377       19.14779 
1 1 1 -9  1  17 o 712.6682 12.10231 14917.64       505.8319 14742.85       708.9675 15098.87       721.9171 707.9121 17.07641 716.3943 17.18244 -8.482178      24.22478 
1 1 1 -9  1  18 o 686.6814 11.80517 13849.85       475.4207 13999.97       678.9584 13705.43       665.9240 689.8149 16.78263 682.5396 16.63590 7.275330       23.63070 
1 1 1 -9  1  19 o 692.8374 11.82579 14101.30       480.5208 14206.23       683.2265 13998.59       675.9499 694.7841 16.76734 689.6960 16.71115 5.088074       23.67290 
1 1 1 -9  1  20 o 312.3957 7.461071 2863.969       136.6963 2883.719       192.9427 2844.066       193.6950 313.1749 10.51980 311.0027 10.63514 2.172241       14.95903 
1 1 1 -9  1  21 o 583.0711 10.22964 9985.967       349.8103 10008.65       496.1564 9963.547       493.2691 583.2405 14.50509 581.9318 14.45311 1.308716       20.47657 
1 1 1 -9  1  22 o 446.0336 8.505116 5841.816       222.4837 5801.286       314.1254 5882.612       315.1563 444.0138 12.07423 447.1232 12.02937 -3.109436      17.04385 
1 1 1 -9  1  23 o 347.5116 7.501812 3545.622       152.8925 3420.265       214.0145 3676.289       218.5004 340.9285 10.71690 353.4888 10.55146 -12.56033      15.03946 
1 1 1 -9  1  24 o 291.6101 9.813414 2502.477       167.5923 2480.623       227.9352 2528.195       247.2658 289.8813 13.44389 292.5022 14.45881 -2.620911      19.74324 
1 1 1 -9  1  25 o 257.0455 9.198902 1944.811       138.4509 2060.875       199.9831 1837.977       191.8673 264.1368 12.94910 249.3766 13.16546 14.76019       18.46642 
1 1 1 -9  1  26 o 566.6940 11.55623 9460.224       384.0743 10013.24       488.2982 8563.009       621.9648 582.3184 14.29796 536.4400 19.80342 45.87842       24.42554 
1 1 1 -9  1  27 o 349.0103 6.687362 3578.055       136.8811 3375.411       293.9695 3634.154       154.6716 337.5134 14.88780 351.6574 7.499636 -14.14401      16.67007 
1 1 1 -9  1  28 f 624.0698 9.785826 11467.50       358.1633 11653.50       800.2894 11420.91       400.5124 623.6451 21.91465 622.4736 10.97096 1.171448       24.50742 
1 1 1 -9  1  29 o 150.2603 7.203470 665.2371       63.29507 568.1740       86.28357 778.3246       93.13393 138.4100 10.71276 162.2492 9.833738 -23.83923      14.54186 
1 1 1 -9  1  30 f 284.3515 5.952325 2375.273       99.26421 2360.395       137.4988 2391.468       143.4520 283.1003 8.290413 284.9132 8.594890 -1.812927      11.94165 
1 1 1 -9  1  31 o 151.2540 7.781639 674.7468       68.79645 721.6213       97.26352 627.8158       97.32224 156.0471 10.69242 145.3735 11.50885 10.67361       15.70928 
1 1 1 -9  1  32 o 287.0304 6.344550 2420.918       106.8019 2456.293       152.8027 2387.128       149.3384 288.6719 9.036727 284.5873 8.958738 4.084595       12.72484 
1 1 1 -9  1  33 o 299.1669 6.711979 2630.606       117.7646 2785.157       171.3106 2492.135       162.1548 307.3249 9.516115 290.6916 9.524312 16.63333       13.46362 
1 1 1 -9  1  34 o 329.9452 6.740222 3200.244       130.4267 3177.427       184.0588 3223.256       184.8461 328.2158 9.572180 330.5818 9.544117 -2.366089      13.51728 
1 1 1 -9  1  35 o 192.4837 7.845935 1092.332       88.38488 1022.301       123.6925 1165.392       126.3398 185.6331 11.41677 198.3406 10.90314 -12.70753      15.78674 
1 1 1 -9  1  36 o 168.8688 8.552619 842.5817       84.42724 827.8589       117.0575 858.5439       121.8851 166.7627 12.05004 169.7830 12.32460 -3.020233      17.23657 
1 1 1 -9  1  37 f 259.2288 7.089975 1979.872       107.6888 1829.506       145.8924 2159.871       159.6218 248.5917 10.02738 270.1218 10.09362 -21.53004      14.22777 
1 1 1 -9  1  38 o 184.7194 8.997095 1009.976       97.17556 948.8845       133.9206 1077.913       141.2241 178.1474 12.90541 189.9725 12.74938 -11.82513      18.14101 
1 1 1 -9  1  39 o 261.4133 7.586496 2016.844       116.1876 2003.946       165.8756 2029.266       162.7959 259.6863 10.91572 261.4099 10.64093 -1.723633      15.24410 
1 1 1 -9  1  40 o 95.32028 21.64544 290.8089       118.2340 396.8389       154.3054 140.0365       184.0042 110.6992 24.42372 75.69810 29.23141 35.00115       38.09191 
1 1 1 -9  1  41 o 155.7030 10.16030 724.3488       92.27313 755.6467       129.6813 692.2540       131.3220 157.6922 14.17326 150.5348 15.07748 7.157440       20.69328 
1 1 1 -9  1  42 o 138.6622 11.04101 579.1609       89.04687 546.3822       123.9084 614.1712       128.0567 132.6310 16.27002 140.9465 15.76116 -8.315536      22.65232 
1 1 1 -9  1  43 o 141.8943 10.45785 606.2430       86.41630 652.9949       124.8449 563.2384       119.7372 145.4270 14.84580 134.6936 15.43619 10.73335       21.41667 
1 1 1 -9  1  44 o 41.98376 18.25730 -2.736901      83.86245 -125.9369      123.9706 101.2070       113.8709 40.66726 19.29615 61.09313 23.14178 -20.42587      30.13110 
1 1 1 -9  1  45 o 202.4408 8.557626 1225.838       101.3727 1349.476       147.0238 1113.792       139.9622 210.4837 11.95940 190.7837 12.57908 19.69997       17.35686 
1 1 1 -9  1  46 o 63.34388 23.11999 123.5798       111.6673 -57.73279      201.0603 204.4541       134.2819 57.16729 26.26016 76.66035 25.52130 -19.49306      36.61875 
1 1 1 -9  1  47 o 54.57087 21.09488 78.84722       95.89864 176.3024       131.9781 -30.16372      139.5836 71.74261 25.25827 49.55003 22.41794 22.19257       33.77195 
1 1 1 -9  1  48 o 87.72390 22.95132 273.9077       119.4165 294.2379       150.2559 239.0477       196.7543 88.49332 26.71695 80.03211 30.39552 8.461212       40.46829 
1 1 1 -9  1  49 o 86.88349 22.28634 268.5205       114.1024 222.6901       152.9537 326.0297       171.3371 77.32997 27.19427 90.98209 28.71782 -13.65211      39.55049 
1 1 1 -9  1  50 o 115.4409 18.06729 444.8920       118.3132 434.8783       158.4602 457.5069       177.8545 107.8250 25.46714 108.2317 27.85655 -0.4067612     37.74338 
1 1 1 -9  1  51 o 64.82487 25.25833 137.5397       138.3273 113.2425       195.8298 161.7352       195.4194 65.99429 28.29281 70.19501 29.06352 -4.200722      40.56071 
1 1 1 -9  2  1  o 778.0787 13.04686 17818.67       595.3604 17814.71       840.7750 17822.66       843.1636 776.5555 18.46107 776.7137 18.50974 -0.1581421     26.14233 
1 1 1 -9  2  2  o 1011.331 19.19712 30235.04       1138.623 32786.61       2104.711 29179.29       1353.843 1043.359 34.44324 991.6451 23.27884 51.71356       41.57212 
1 1 1 -9  2  3  o 334.6044 7.444995 3287.162       146.0988 3282.184       205.9395 3292.207       207.2970 333.9801 10.52716 334.4843 10.58068 -0.5041809     14.92554 
1 1 1 -9  2  4  o 141.2020 9.682563 588.6467       79.69758 377.6255       121.1008 749.8678       105.8510 111.4656 19.21881 159.2711 11.40756 -47.80553      22.34939 
1 1 1 -9  2  5  o 447.0939 8.474604 5871.088       222.2126 5764.991       309.9208 5983.336       318.7785 442.5234 11.95259 450.8146 12.06789 -8.291229      16.98524 
1 1 1 -9  2  6  o 878.1093 14.51858 22715.66       747.6931 22377.10       1044.930 23070.88       1070.322 869.5544 20.48991 882.8593 20.67152 -13.30493      29.10581 
1 1 1 -9  2  7  o 272.3886 6.853713 2179.212       109.4007 2199.396       156.2689 2159.811       153.2086 273.4223 9.760798 270.9568 9.656672 2.465424       13.73042 
1 1 1 -9  2  8  o 500.7419 9.060060 7364.300       266.0698 7347.067       376.2039 7381.547       376.3551 499.5951 12.85036 500.7705 12.82526 -1.175415      18.15541 
1 1 1 -9  2  9  o 543.0573 9.626984 8661.477       306.6100 8839.212       440.3873 8494.272       427.1403 548.1613 13.69859 537.2058 13.56835 10.95551       19.28086 
1 1 1 -9  2  10 o 234.1290 6.572491 1609.705       90.15833 1613.992       127.8146 1605.459       127.1939 234.2735 9.321261 233.6539 9.300608 0.6196136      13.16766 
1 1 1 -9  2  11 o 405.4522 7.857549 4824.314       186.8432 4948.667       268.6928 4707.883       259.9942 410.3310 11.17573 400.2237 11.08738 10.10727       15.74252 
1 1 1 -9  2  12 o 571.1832 9.992497 9577.419       334.7341 9793.857       481.5881 9375.124       465.5883 577.2759 14.22466 564.8153 14.05546 12.46057       19.99742 
1 1 1 -9  2  13 o 831.5507 13.76521 20315.72       671.3087 20248.82       946.7929 20383.36       951.9760 829.3854 19.46472 832.1292 19.50674 -2.743774      27.55700 
1 1 1 -9  2  14 o 1020.894 16.64553 30646.01       996.6183 31823.29       1452.942 29599.91       1369.608 1038.821 23.84828 1002.001 23.30654 36.82019       33.34569 
1 1 1 -9  2  15 o 668.6865 11.41322 13129.21       447.5908 13292.28       639.9127 12973.01       626.2853 672.3738 16.22779 664.2661 16.07606 8.107666       22.84253 
1 1 1 -9  2  16 o 713.7556 13.94015 14969.70       583.5358 15000.77       1007.874 14954.03       715.6930 712.6308 24.15010 713.0103 17.11514 -0.3794556     29.59993 
1 1 1 -9  2  17 o 829.9493 13.82880 20241.80       673.1106 21117.45       983.9139 19471.46       922.8609 846.7623 19.81276 813.1744 19.35094 33.58789       27.69484 
1 1 1 -9  2  18 o 227.8275 8.071892 1525.150       107.6825 1565.899       153.2394 1485.399       151.3503 230.6293 11.36436 224.5949 11.52892 6.034332       16.18841 
1 1 1 -9  2  19 o 794.8462 13.30011 18568.49       619.9962 18651.49       880.9380 18487.03       872.7334 795.7021 18.87749 792.2042 18.78425 3.497925       26.63096 
1 1 1 -9  2  20 f 505.7865 9.247698 7510.666       274.3162 7648.917       394.1835 7380.838       381.9872 509.9335 13.19165 500.9328 13.01328 9.000732       18.53011 
1 1 1 -9  2  21 o 347.3073 7.537042 3540.369       153.5201 3502.602       217.8667 3577.616       216.3616 345.1166 10.77723 348.8133 10.58863 -3.696716      15.10853 
1 1 1 -9  2  22 o 78.64743 14.30734 187.7059       63.56211 206.5009       90.33350 169.2753       89.45377 82.00578 19.13398 74.44200 20.04590 7.563774       27.71186 
1 1 1 -9  2  23 o 222.0083 10.26647 1451.743       133.3102 1373.914       205.7340 1508.073       175.0252 215.2008 16.42500 225.9544 13.26613 -10.75363      21.11329 
1 1 1 -9  2  24 o 924.1115 15.23314 25190.96       825.5897 25395.32       1174.964 24991.67       1160.295 925.0637 21.65721 917.7324 21.55766 7.331238       30.55761 
1 1 1 -9  2  25 o 317.3703 7.077427 2958.036       131.7323 2923.228       186.2623 2992.871       186.3328 315.0938 10.09242 318.8435 9.976908 -3.749695      14.19139 
1 1 1 -9  2  26 o 302.7563 9.750750 2699.473       172.9080 0.000000       0.000000 2699.473       172.9080 ?        ?        302.7563 9.750750 0.000000       9.750750 
1 1 1 -9  2  27 o 260.9631 6.390926 2000.178       97.81229 2134.635       229.7208 1970.403       108.1010 268.2971 14.65501 258.8660 7.127180 9.431091       16.29620 
1 1 1 -9  2  28 o 234.9217 9.651670 1627.546       132.6937 1721.018       205.1939 1560.361       173.9637 240.7239 14.60301 229.4837 12.97867 11.24016       19.53699 
1 1 1 -9  2  29 o 306.8093 6.492817 2765.912       116.8294 2921.417       273.5739 2731.227       129.2034 313.6170 14.91664 304.8056 7.227706 8.811401       16.57546 
1 1 1 -9  2  30 o 160.7208 7.066568 760.8552       66.44589 815.1077       92.54023 703.1188       95.46540 166.0680 9.541710 154.0434 10.63224 12.02460       14.28596 
1 1 1 -9  2  31 o 266.1565 6.086933 2081.299       95.01366 2130.811       135.7816 2033.794       133.0008 268.9061 8.620875 262.7032 8.644306 6.202911       12.20834 
1 1 1 -9  2  32 o 315.9328 6.388607 2933.091       118.3727 2876.894       164.5035 2993.435       170.4640 312.4423 8.986826 318.6877 9.129869 -6.245453      12.81084 
1 1 1 -9  2  33 o 362.7914 6.935837 3869.135       147.5728 3826.914       205.9623 3913.678       211.5488 360.2389 9.757683 364.2702 9.911518 -4.031311      13.90865 
1 1 1 -9  2  34 o 296.4151 6.738008 2582.883       117.1338 2543.574       163.8236 2623.997       167.5435 293.6338 9.525659 298.2321 9.591529 -4.598358      13.51797 
1 1 1 -9  2  35 o 215.5904 7.329326 1369.024       92.53629 1361.482       131.4139 1376.441       130.3251 214.4993 10.47806 215.7041 10.33198 -1.204788      14.71528 
1 1 1 -9  2  36 o 300.1190 6.941722 2650.156       122.1831 2637.106       171.3715 2663.647       174.2505 298.7245 9.795010 300.1981 9.910862 -1.473602      13.93440 
1 1 1 -9  2  37 o 206.0259 8.204565 1253.337       98.93698 1111.957       132.7753 1429.838       148.3533 193.3189 11.76668 219.3522 11.57294 -26.03334      16.50418 
1 1 1 -9  2  38 o 182.9492 8.914079 990.6127       95.35606 987.3929       132.9360 994.0253       136.8571 181.8348 12.54250 182.3582 12.87936 -0.5234222     17.97755 
1 1 1 -9  2  39 o 130.7836 12.05308 512.8442       91.40963 513.4631       122.9163 512.0784       136.7297 129.6301 16.54442 128.7717 18.64678 0.8583984      24.92830 
1 1 1 -9  2  40 o 138.5605 11.19244 574.6894       90.17908 522.0538       129.9836 623.5338       125.2150 130.1148 17.47523 143.2020 15.13818 -13.08716      23.12029 
1 1 1 -9  2  41 o 189.2587 8.674956 1063.945       96.03223 1106.818       135.0728 1020.122       136.5596 191.9129 12.06188 183.9574 12.73632 7.955582       17.54146 
1 1 1 -9  2  42 o 88.17190 16.07837 244.7047       80.07996 209.4099       110.4106 283.8792       116.3207 79.74924 22.58624 92.96223 21.72763 -13.21299      31.34052 
1 1 1 -9  2  43 o 27.95419 13.75964 -159.0152      79.47069 -243.1640      114.7603 -81.48047      110.1579 32.69836 16.17660 40.83753 18.99579 -8.139172      24.95040 
1 1 1 -9  2  44 o 260.2092 7.655363 2012.762       116.6988 2015.534       167.7488 2010.162       162.4527 258.4753 11.09179 258.3521 10.74518 0.1231995      15.44302 
1 1 1 -9  2  45 o 182.1939 9.660388 998.8555       102.8547 1038.718       153.2530 966.1833       138.7438 183.0154 14.39388 177.0802 13.46042 5.935165       19.70703 
1 1 1 -9  2  46 o 50.04728 20.37428 47.57073       93.97562 30.34174       126.6746 68.65948       140.1475 53.27595 22.79589 59.19175 24.56947 -5.915802      33.51583 
1 1 1 -9  2  47 o 57.55910 21.27902 98.41324       95.08009 172.2235       131.4246 17.35829       137.7235 71.09174 25.18937 53.28080 23.27950 17.81094       34.29926 
1 1 1 -9  2  48 o 75.00076 22.71865 198.8183       108.5214 323.0506       154.0424 76.40800       152.9086 92.58069 26.82563 60.40673 25.41006 32.17395       36.94977 
1 1 1 -9  2  49 o 106.3703 19.10705 381.2323       114.8160 283.7437       151.3165 513.5331       176.2749 86.20825 26.95686 117.4986 26.24373 -31.29035      37.62188 
1 1 1 -9  2  50 o 125.0804 17.71430 518.9161       126.3146 569.5049       172.5624 460.5207       185.3993 125.0355 24.40846 107.5286 28.81663 17.50694       37.76468 
1 1 1 -9  2  51 o 145.9666 17.16870 702.7388       144.1670 720.1424       200.4662 684.0960       207.4804 139.1964 25.49555 133.3216 27.45037 5.874756       37.46393 
1 1 1 -9  3  1  o 514.5335 10.79425 7783.497       325.7293 7276.242       535.7450 8080.968       410.2682 495.9163 18.45259 523.7433 13.36761 -27.82706      22.78577 
1 1 1 -9  3  2  o 505.2060 13.13231 7518.451       388.7690 0.000000       0.000000 7518.451       388.7690 ?        ?        505.2060 13.13231 0.000000       13.13231 
1 1 1 -9  3  3  o 227.2865 7.266734 1518.213       96.73973 1495.924       134.7294 1541.934       138.9914 225.3642 10.22018 228.7945 10.38546 -3.430237      14.57086 
1 1 1 -9  3  4  o 553.3729 9.837363 8999.172       319.2619 9198.375       457.2321 8809.648       445.9869 558.8495 13.95055 546.7441 13.92005 12.10535       19.70750 
1 1 1 -9  3  5  o 673.0361 11.48800 13321.86       453.4542 13373.62       642.5084 13270.49       640.0607 673.3562 16.26984 670.7546 16.27073 2.601563       23.00966 
1 1 1 -9  3  6  o 432.7722 8.297676 5500.305       210.6039 5423.055       295.3411 5580.224       300.4010 429.2428 11.74299 435.4187 11.77451 -6.175842      16.62939 
1 1 1 -9  3  7  o 328.7881 7.158098 3173.221       138.0271 3143.991       194.2646 3203.020       196.1485 326.9444 10.14367 330.0019 10.14692 -3.057495      14.34762 
1 1 1 -9  3  8  o 133.0210 8.040647 521.3829       62.43512 496.6286       86.17693 548.7318       90.58078 129.4782 11.46708 136.1530 11.44978 -6.674789      16.20467 
1 1 1 -9  3  9  o 49.21500 15.19873 71.02565       48.26844 115.3861       65.00681 16.51591       72.06062 61.72556 17.27814 43.07931 17.72391 18.64625       24.75219 
1 1 1 -9  3  10 o 556.3240 9.801237 9087.729       319.7859 9139.937       454.3900 9036.494       450.1310 557.5446 13.89628 554.3861 13.84446 3.158508       19.61570 
1 1 1 -9  3  11 o 490.8768 8.919864 7072.641       256.7919 6936.647       359.0568 7215.032       367.4041 485.7394 12.61470 495.3927 12.65609 -9.653320      17.86917 
1 1 1 -9  3  12 o 433.9867 8.208540 5526.957       208.9262 5387.044       291.3338 5675.098       299.7797 428.1474 11.61310 439.4511 11.64190 -11.30368      16.44378 
1 1 1 -9  3  13 o 660.8942 13.01536 12829.76       504.4739 12639.07       611.7687 13234.96       891.7795 655.6909 15.90880 669.7107 22.73788 -14.01978      27.75070 
1 1 1 -9  3  14 o 923.1152 15.16471 25045.04       820.9951 25425.86       1174.851 24681.59       1147.748 929.0273 21.56274 915.3646 21.37971 13.66272       30.36517 
1 1 1 -9  3  15 o 819.6244 15.73622 19749.12       756.4249 19476.68       1290.903 19891.58       933.4708 811.4830 27.16290 822.0423 19.36226 -10.55933      33.35746 
1 1 1 -9  3  16 o 999.7301 16.35724 29391.89       959.0547 30104.91       1382.722 28730.86       1331.352 1010.292 23.33660 987.0490 22.99873 23.24292       32.76489 
1 1 1 -9  3  17 o 758.5019 12.78246 16901.78       568.6193 16821.88       802.0751 16982.52       806.2391 756.0107 18.08992 759.6107 18.09765 -3.599976      25.58848 
1 1 1 -9  3  18 o 576.6273 14.62434 9781.514       494.1643 9781.514       494.1643 0.000000       0.000000 576.6273 14.62434 ?        ?        0.000000       14.62434 
1 1 1 -9  3  19 o 198.8448 8.107573 1162.362       94.35040 1158.486       134.3143 1166.138       132.5661 198.2508 11.60271 198.9234 11.41096 -0.6726227     16.27368 
1 1 1 -9  3  20 o 673.4991 11.50205 13326.51       454.3211 13457.03       648.4865 13200.69       636.6901 676.1368 16.35369 669.6882 16.21082 6.448608       23.02681 
1 1 1 -9  3  21 o 374.5078 7.739509 4116.940       169.9905 4032.251       240.0964 4202.064       240.7106 370.2789 11.06863 378.0217 10.86874 -7.742767      15.51271 
1 1 1 -9  3  22 o 527.5186 9.499624 8174.455       293.8967 8015.040       411.7566 8340.017       419.6204 521.7156 13.46851 532.1962 13.45497 -10.48065      19.03778 
1 1 1 -9  3  23 o 469.7195 8.732750 6481.020       240.5693 6492.433       342.0362 6469.845       338.4252 469.5570 12.43127 468.7562 12.32088 0.8008728      17.50259 
1 1 1 -9  3  24 o 300.2286 7.049592 2646.604       124.1271 2735.022       181.0740 2568.223       170.4883 304.8236 10.14290 295.4036 9.854546 9.419952       14.14180 
1 1 1 -9  3  25 o 322.3712 6.509673 3051.361       123.0739 3000.513       282.2939 3063.294       136.7552 318.4137 15.16033 322.9529 7.220282 -4.539276      16.79190 
1 1 1 -9  3  26 o 253.1676 7.244835 1884.482       107.4584 1975.674       218.4683 1855.378       123.4207 258.2169 14.48430 251.0890 8.393067 7.127914       16.74033 
1 1 1 -9  3  27 o 372.3745 7.737761 4075.718       168.9841 0.000000       0.000000 4075.718       168.9841 ?        ?        372.3745 7.737761 0.000000       7.737761 
1 1 1 -9  3  28 o 413.0370 7.376297 5014.545       178.6808 5068.813       399.1799 5000.948       199.8166 412.9840 16.51435 412.3518 8.262530 0.6321411      18.46600 
1 1 1 -9  3  29 o 355.3757 7.655805 3713.885       159.5619 4491.538       357.3528 3520.235       178.3256 388.7459 15.70637 345.7184 8.802258 43.02753       18.00472 
1 1 1 -9  3  30 o 251.9750 7.359255 1868.570       108.6366 2343.801       244.4179 1751.573       121.2742 280.7374 14.89841 243.8035 8.494583 36.93396       17.14994 
1 1 1 -9  3  31 o 249.7647 6.040564 1832.776       88.48286 1839.431       122.4548 1825.506       127.9964 249.8610 8.368351 248.8524 8.783895 1.008682       12.13203 
1 1 1 -9  3  32 o 360.8754 6.522395 3827.261       138.0431 3764.425       190.2600 3897.108       200.5946 357.4190 9.083882 363.6019 9.414737 -6.182892      13.08259 
1 1 1 -9  3  33 o 225.9449 7.164500 1502.502       94.81775 1496.773       129.7531 1509.067       138.8987 225.1477 9.850359 225.9650 10.50988 -0.8172760     14.40442 
1 1 1 -9  3  34 o 288.8405 6.708431 2452.561       113.6395 2479.259       161.8619 2426.610       159.5835 289.8862 9.533618 286.7944 9.500940 3.091766       13.45949 
1 1 1 -9  3  35 o 153.1257 9.475709 694.0089       84.67931 761.3604       117.9882 622.4675       121.6028 159.8463 12.69001 144.0368 14.59656 15.80943       19.34156 
1 1 1 -9  3  36 o 98.28734 14.32266 293.1429       80.13426 362.9672       106.2645 201.0859       122.0150 108.8727 17.21416 80.51591 24.02273 28.35677       29.55366 
1 1 1 -9  3  37 o 83.14146 16.68890 214.2230       78.54508 163.0478       107.2830 273.3424       115.3099 73.00982 22.67783 93.06185 21.55186 -20.05203      31.28524 
1 1 1 -9  3  38 o 296.0981 7.102445 2582.400       123.3372 2626.734       171.2730 2534.646       177.7580 297.8704 9.817588 292.4326 10.38107 5.437744       14.28817 
1 1 1 -9  3  39 o 156.7842 10.42407 731.7311       95.30524 735.2114       136.9686 728.4645       132.6968 155.8769 15.17451 155.2860 14.74740 0.5909424      21.16014 
1 1 1 -9  3  40 o 182.2218 9.349374 986.1730       99.58158 898.4692       138.4247 1080.248       143.3644 172.6147 13.78822 189.6559 12.96717 -17.04112      18.92782 
1 1 1 -9  3  41 o 107.4009 15.92427 357.4936       97.27026 391.8495       158.1909 336.6067       123.3437 108.6925 25.29280 102.1576 21.27902 6.534966       33.05333 
1 1 1 -9  3  42 o 122.2403 11.83109 452.8795       83.75928 531.7427       117.6227 371.7480       119.3022 131.0620 15.60889 107.6142 19.62580 23.44786       25.07607 
1 1 1 -9  3  43 o 98.63324 17.71328 310.7179       98.69876 378.9599       170.7913 276.5009       120.9375 104.0765 27.55253 90.82563 22.75392 13.25092       35.73350 
1 1 1 -9  3  44 o 209.0902 8.540954 1304.830       104.5142 1395.886       155.3194 1229.485       141.2861 214.2193 12.41599 201.2305 12.02655 12.98885       17.28568 
1 1 1 -9  3  45 o 259.5500 7.923672 2008.774       120.4728 2176.694       176.7285 1863.005       164.6596 267.9383 11.27178 247.7830 11.36115 20.15523       16.00402 
1 1 1 -9  3  46 o 45.77132 19.59434 14.96850       93.67523 17.66670       131.0670 12.15100       133.9330 52.67125 22.86535 52.60019 22.97004 0.7105637E-01  32.41059 
1 1 1 -9  3  47 o 51.58834 20.80357 57.68330       96.92139 89.40823       136.7855 25.69532       137.3514 60.56887 24.60925 53.97667 23.41974 6.592197       33.97204 
1 1 1 -9  3  48 o 124.0346 15.34152 491.8224       109.2227 521.3162       158.9993 465.4690       150.2964 121.8277 23.09858 114.9604 23.09452 6.867310       32.66346 
1 1 1 -9  3  49 o 46.59799 20.58925 -0.1855696     110.5272 33.76189       156.4118 -34.04397      156.2065 56.49041 24.74221 51.17311 23.37116 5.317291       34.03510 
1 1 1 -9  3  50 o 56.42595 23.12121 77.55483       121.9951 20.03282       172.7384 134.7964       172.3167 56.85988 25.39446 66.81019 27.43907 -9.950306      37.38691 
1 1 1 -9  3  51 o 39.84525 19.12153 -133.7879      129.1839 -78.47154      189.2060 -182.0937      176.8105 52.21547 24.48622 45.36038 21.91915 6.855087       32.86372 
1 1 1 -9  4  1  o 1366.870 46.01133 57460.62       3683.181 0.000000       0.000000 57460.62       3683.181 ?        ?        1366.870 46.01133 0.000000       46.01133 
1 1 1 -9  4  2  o 274.3405 8.292896 2212.419       133.2747 2013.994       207.1385 2352.588       174.0964 261.1821 13.56934 282.6991 10.51897 -21.51700      17.16903 
1 1 1 -9  4  3  o 522.6650 9.458287 8026.664       289.9256 7989.976       407.8228 8064.152       412.2462 520.7825 13.36360 523.1808 13.44666 -2.398254      18.95781 
1 1 1 -9  4  4  o 393.1388 9.036773 4540.405       208.3578 4191.856       333.8521 4762.783       266.6664 376.8368 15.13683 402.2883 11.31389 -25.45145      18.89782 
1 1 1 -9  4  5  o 286.9549 6.981757 2417.169       117.4976 2463.233       165.6687 2370.547       166.6690 289.3654 9.776143 283.8388 10.02803 5.526611       14.00480 
1 1 1 -9  4  6  o 163.6889 7.440231 788.2163       71.23923 754.6384       95.64052 830.0643       106.7709 159.9217 10.25126 167.6890 10.91604 -7.767288      14.97492 
1 1 1 -9  4  7  o 477.1723 8.800660 6686.699       246.2867 6663.417       346.7166 6710.412       349.9094 475.8304 12.43495 477.4967 12.50572 -1.666290      17.63579 
1 1 1 -9  4  8  o 268.3741 6.790046 2115.052       106.7862 2019.367       147.8205 2219.490       154.4333 262.0363 9.635249 274.7332 9.599470 -12.69690      13.60102 
1 1 1 -9  4  9  o 525.0054 9.396132 8093.246       289.3099 7933.149       404.3005 8261.255       414.1700 519.2751 13.28658 529.9049 13.33753 -10.62976      18.82612 
1 1 1 -9  4  10 o 276.2623 6.787620 2239.361       109.9739 2243.238       157.4135 2235.664       153.7059 276.2434 9.731473 275.7909 9.517250 0.4525452      13.61175 
1 1 1 -9  4  11 f 267.9336 6.792662 2107.575       106.6516 2065.152       150.8908 2149.928       150.7655 265.0573 9.723201 270.4634 9.519647 -5.406128      13.60751 
1 1 1 -9  4  12 o 697.6974 11.79791 14294.99       482.7504 14181.47       679.5001 14410.69       685.9702 694.4193 16.68466 700.0057 16.70911 -5.586426      23.61296 
1 1 1 -9  4  13 o 450.0690 8.430857 5944.096       222.5365 5850.871       312.6872 6039.779       316.7811 446.2065 11.95956 453.3606 11.92456 -7.154053      16.88864 
1 1 1 -9  4  14 o 678.8718 11.54384 13532.38       459.6091 13846.51       661.8784 13239.85       638.7114 686.2363 16.44576 671.0587 16.22907 15.17767       23.10510 
1 1 1 -9  4  15 o 1224.395 22.93947 44199.91       1647.234 41680.80       2709.939 45676.10       2074.466 1182.276 39.13713 1242.860 28.45990 -60.58398      48.39092 
1 1 1 -9  4  16 o 667.6065 13.20478 13094.30       517.0140 12764.73       872.3015 13272.77       641.9164 657.5636 22.65308 671.8096 16.29228 -14.24603      27.90341 
1 1 1 -9  4  17 o 934.9802 15.43455 25704.28       846.3441 27228.70       1252.494 24423.33       1148.127 960.9072 22.22509 910.2231 21.50759 50.68414       30.92783 
1 1 1 -9  4  18 o 410.1123 8.365196 4936.272       201.2007 5045.671       289.7953 4834.462       279.5620 414.2764 11.93999 405.5208 11.76722 8.755585       16.76397 
1 1 1 -9  4  19 o 176.0942 8.458219 912.2688       87.09689 998.2420       127.3477 836.7112       119.3847 183.9516 11.86754 168.3148 12.17649 15.63678       17.00310 
1 1 1 -9  4  20 f 784.3792 13.11544 18087.29       603.3365 17579.93       835.5231 18640.10       872.1482 772.3442 18.44578 795.2365 18.70008 -22.89221      26.26671 
1 1 1 -9  4  21 o 52.43534 17.06043 78.11262       60.13367 166.9120       86.36880 -5.431812      83.77425 73.90269 19.60665 43.11758 18.49553 30.78510       26.95377 
1 1 1 -9  4  22 o 351.8871 10.98145 3643.294       226.3506 3608.770       336.0863 3671.954       306.2116 349.4825 16.44351 352.7815 14.83322 -3.299042      22.14528 
1 1 1 -9  4  23 o 497.1638 8.212341 7259.335       239.4512 7300.155       546.6937 7249.645       266.3601 496.5734 18.80597 496.7392 9.143030 -0.1658020     20.91075 
1 1 1 -9  4  24 o 435.8269 7.559314 5578.475       193.2177 5507.495       437.2612 5595.697       215.3867 431.3019 17.32181 436.4190 8.415206 -5.117096      19.25775 
1 1 1 -9  4  25 f 447.2945 9.913684 5884.912       260.0634 0.000000       0.000000 5884.912       260.0634 ?        ?        447.2945 9.913684 0.000000       9.913684 
1 1 1 -9  4  26 o 583.2783 11.84912 10026.68       405.3333 9698.159       690.7388 10199.21       500.5823 570.3644 20.68382 587.5339 14.52754 -17.16956      25.27587 
1 1 1 -9  4  27 o 345.2249 10.63076 3513.935       214.9806 3827.415       324.8533 3269.671       286.7554 359.2396 15.45502 332.1531 14.75735 27.08643       21.36907 
1 1 1 -9  4  28 o 452.4861 7.805133 6020.177       207.1267 5813.922       449.5263 6075.769       233.3766 441.9777 17.37606 454.4112 8.757048 -12.43347      19.45799 
1 1 1 -9  4  29 o 255.6731 6.434045 1921.956       96.39944 2407.189       243.8832 1832.106       104.9456 284.6541 14.65815 249.5397 7.178370 35.11438       16.32147 
1 1 1 -9  4  30 o 367.3873 8.878482 3974.056       191.2993 4265.142       355.1960 3855.126       227.0404 378.5465 16.03552 361.3559 10.72503 17.19064       19.29156 
1 1 1 -9  4  31 f 448.1824 7.059926 5905.507       185.5690 5877.797       257.0833 5935.649       268.1339 446.5901 9.815541 448.6954 10.18942 -2.105347      14.14811 
1 1 1 -9  4  32 o 118.4452 10.63191 417.0540       73.06998 543.4330       100.5415 275.5753       106.3784 134.9640 12.85731 94.29018 19.86499 40.67377       23.66281 
1 1 1 -9  4  33 o 281.9583 6.796060 2336.893       112.3809 2523.289       162.9413 2167.782       155.2022 292.4974 9.511229 271.0415 9.779667 21.45587       13.64204 
1 1 1 -9  4  34 f 42.72742 17.73980 14.22331       73.08736 -59.58717      103.0570 88.91146       103.6680 42.08670 19.12893 60.40920 22.23916 -18.32250      29.33422 
1 1 1 -9  4  35 o 159.1039 9.258943 748.7974       86.02252 849.8924       118.3058 635.3885       125.3040 169.0624 12.01007 145.4583 14.89874 23.60414       19.13672 
1 1 1 -9  4  36 o 302.8882 6.861588 2699.405       121.8871 2649.702       169.3425 2752.834       175.5751 299.4349 9.655642 305.1714 9.822785 -5.736542      13.77384 
1 1 1 -9  4  37 o 308.0388 6.947490 2793.425       125.5116 2689.974       170.9804 2914.310       184.8277 301.5740 9.679767 313.8040 10.05586 -12.23007      13.95773 
1 1 1 -9  4  38 o 100.9167 14.54239 310.1180       83.58858 258.7878       119.0133 360.0889       117.4269 90.20354 22.55751 107.5508 19.32712 -17.34724      29.70486 
1 1 1 -9  4  39 o 222.0942 8.125129 1458.031       105.6538 1536.026       153.3807 1387.608       145.7457 227.0522 11.55647 215.7749 11.55932 11.27737       16.34533 
1 1 1 -9  4  40 o 100.7055 15.97367 313.2286       91.19714 393.3730       131.8115 239.6360       126.3088 111.3633 20.95055 86.08689 24.07960 25.27646       31.91790 
1 1 1 -9  4  41 o 279.8701 7.040115 2315.365       115.4627 2490.906       164.3012 2144.084       162.2952 289.2627 9.698677 268.0695 10.34244 21.19312       14.17852 
1 1 1 -9  4  42 o 253.8620 10.59787 1931.089       157.4384 0.000000       0.000000 1931.089       157.4384 ?        ?        253.8620 10.59787 0.000000       10.59787 
1 1 1 -9  4  43 o 129.8414 12.14231 513.1741       91.38996 374.7518       133.2527 636.1114       125.5783 106.3326 22.09033 143.2815 15.17462 -36.94894      26.80022 
1 1 1 -9  4  44 o 85.57751 18.63960 239.0078       90.89607 293.7297       129.6773 186.1539       127.4447 92.67180 23.75225 74.82658 24.86173 17.84522       34.38423 
1 1 1 -9  4  45 o 113.2123 14.47047 401.3296       93.88515 368.4335       131.5779 435.4492       134.0026 104.1695 22.21569 114.4491 20.72705 -10.27959      30.38334 
1 1 1 -9  4  46 o 58.74072 21.04748 105.2378       92.00492 -10.21788      129.2643 223.7820       130.9819 49.75325 22.10976 79.61393 25.10643 -29.86068      33.45406 
1 1 1 -9  4  47 o 90.89720 19.30319 277.6143       99.72128 233.7304       140.1480 322.6169       141.9232 80.26907 26.03971 94.30389 25.18571 -14.03482      36.22688 
1 1 1 -9  4  48 o 61.24355 22.49010 118.7602       105.9128 -0.6197912     147.6289 245.3723       152.0348 52.70429 23.51161 80.93772 27.15992 -28.23343      35.92293 
1 1 1 -9  4  49 o 188.9131 11.22800 1096.392       123.8373 1164.952       174.3347 1026.562       175.9411 190.6794 15.72917 177.5847 17.10453 13.09470       23.23729 
1 1 1 -9  4  50 o 121.4249 18.07747 491.8695       124.8155 367.6505       187.1315 591.4203       167.5233 94.33798 30.04112 128.8064 23.02120 -34.46846      37.84764 
1 1 1 -9  4  51 o 54.97625 23.65874 50.05191       137.9137 -91.71098      216.3847 147.0358       178.9761 54.69430 25.81473 67.85296 27.92607 -13.15866      38.02980 
1 1 1 -9  5  1  o 492.6831 18.66742 7182.527       538.4138 0.000000       0.000000 7182.527       538.4138 ?        ?        492.6831 18.66742 0.000000       18.66742 
1 1 1 -9  5  2  o 803.4715 15.50650 19030.31       730.6927 18103.11       1211.998 19559.75       915.8503 779.2814 26.55781 813.4355 19.19777 -34.15411      32.76998 
1 1 1 -9  5  3  o 769.3236 18.25012 17481.43       823.4275 16589.52       1115.856 18547.80       1220.121 746.4594 25.52648 788.9202 26.40778 -42.46088      36.72836 
1 1 1 -9  5  4  o 159.1364 7.949330 745.4606       73.95599 822.3179       101.0497 656.8041       108.5295 166.9474 10.37182 148.8875 12.54570 18.05986       16.27788 
1 1 1 -9  5  5  o 570.2199 10.07485 9554.369       336.9237 9657.063       479.7921 9454.462       473.2395 572.6796 14.28535 566.4686 14.25607 6.211060       20.18184 
1 1 1 -9  5  6  o 255.2074 7.015656 1913.125       104.9059 1790.712       145.0967 2047.202       151.8525 246.6751 10.05060 263.7964 9.832481 -17.12137      14.06031 
1 1 1 -9  5  7  o 305.7820 7.048460 2744.241       126.4028 2813.619       178.2928 2674.131       179.2319 309.3399 9.840117 301.5401 10.14937 7.799744       14.13639 
1 1 1 -9  5  8  o 691.4742 11.74408 14050.92       476.2615 13970.51       670.5047 14132.80       676.6077 688.7566 16.59914 692.7357 16.65401 -3.979065      23.51356 
1 1 1 -9  5  9  f 552.1539 9.775743 8951.778       316.5632 8818.976       444.2760 9088.740       451.1798 547.5090 13.84713 555.9971 13.83651 -8.488098      19.57529 
1 1 1 -9  5  10 f 817.5122 13.57527 19641.46       650.8685 19723.53       923.9104 19560.59       917.0618 818.3011 19.25157 814.9261 19.18801 3.375000       27.18092 
1 1 1 -9  5  11 o 796.8044 13.27546 18653.01       620.3714 18811.93       883.3275 18498.33       871.4681 799.4227 18.84060 792.7467 18.74418 6.675964       26.57654 
1 1 1 -9  5  12 o 386.9612 7.777239 4393.600       176.4995 4478.753       255.1819 4315.500       244.3840 390.4085 11.15644 383.2406 10.88406 7.167877       15.58617 
1 1 1 -9  5  13 o 671.0031 11.43518 13220.02       450.0057 13133.04       634.5837 13308.00       638.2405 668.3578 16.18935 672.7965 16.17522 -4.438660      22.88520 
1 1 1 -9  5  14 o 1334.762 30.53983 52735.14       2390.677 54172.99       3454.854 51414.09       3311.552 1345.523 43.83974 1311.205 43.12227 34.31824       61.49352 
1 1 1 -9  5  15 o 426.4229 8.360373 5336.059       209.0820 5124.332       292.5463 5557.128       298.9304 417.5466 11.95878 434.8542 11.73202 -17.30762      16.75269 
1 1 1 -9  5  16 o 649.5169 15.79965 12404.98       601.8505 13030.14       877.3989 11849.42       827.1152 664.3608 22.55135 633.5590 22.29492 30.80182       31.71162 
1 1 1 -9  5  17 o 427.6372 8.557269 5367.136       214.6155 5849.403       321.2234 4978.282       288.4407 446.0659 12.29056 411.5138 11.96418 34.55209       17.15224 
1 1 1 -9  5  18 f 453.9219 8.770658 6047.877       233.4876 6502.220       346.7310 5670.908       315.8306 470.2556 12.58342 439.1737 12.27421 31.08188       17.57836 
1 1 1 -9  5  19 o 692.8155 11.81043 14102.10       479.8811 14096.28       680.4382 14107.86       676.8845 692.0037 16.76601 692.3027 16.67125 -0.2990112     23.64381 
1 1 1 -9  5  20 o 383.5609 7.867959 4318.187       176.9893 4422.398       257.2228 4224.485       243.9088 387.8003 11.32181 379.0478 10.98351 8.752563       15.77406 
1 1 1 -9  5  21 o 570.9936 10.06732 9577.924       337.1288 9676.150       481.7354 9483.643       471.9591 573.3814 14.32565 567.6706 14.17612 5.710815       20.15408 
1 1 1 -9  5  22 o 349.6481 6.935262 3588.530       142.2147 3346.946       325.3965 3645.571       158.1153 336.4884 16.53960 352.3779 7.650937 -15.88950      18.22348 
1 1 1 -9  5  23 o 378.5654 7.073270 4207.479       157.0405 4035.889       356.5230 4248.786       174.9241 369.4257 16.49707 380.3671 7.841449 -10.94138      18.26586 
1 1 1 -9  5  24 o 151.7179 7.480874 677.6727       66.35876 827.2252       176.2268 652.9637       71.63118 166.1932 18.38758 148.8553 8.237282 17.33792       20.14835 
1 1 1 -9  5  25 o 567.7958 9.091476 9479.024       302.7451 9858.637       694.3210 9389.908       336.4089 575.5381 20.60331 564.9344 10.15357 10.60370       22.96936 
1 1 1 -9  5  26 o 231.4031 10.52217 1579.831       142.4252 1504.457       217.2660 1636.628       188.6013 224.7752 16.59845 235.0371 13.74220 -10.26192      21.54893 
1 1 1 -9  5  27 o 622.9687 9.840658 11425.48       359.5348 11369.57       790.9908 11440.04       403.6416 616.2663 21.92021 623.0450 11.04653 -6.778748      24.54631 
1 1 1 -9  5  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  5  29 o 291.5015 6.573056 2497.067       112.3721 2780.639       268.5607 2436.883       123.7235 305.8783 15.01664 287.7991 7.336122 18.07916       16.71281 
1 1 1 -9  5  30 o 244.0925 6.652792 1752.443       95.14890 1527.570       220.2172 1804.059       105.5052 226.0148 16.73226 247.5912 7.273765 -21.57634      18.24489 
1 1 1 -9  5  31 o 137.8430 8.809176 561.6740       70.84213 627.4815       194.9755 551.6651       76.03884 142.3242 24.22590 136.5066 9.558386 5.817581       26.04337 
1 1 1 -9  5  32 o 156.7544 8.227204 725.0231       75.37016 772.8217       99.76839 661.4792       115.0330 161.5348 10.58955 148.9375 13.30957 12.59732       17.00833 
1 1 1 -9  5  33 o 170.9686 8.470589 862.4731       84.66930 746.7815       116.5398 991.8085       123.2203 158.4244 12.64796 182.9106 11.54554 -24.48619      17.12514 
1 1 1 -9  5  34 o 128.5467 10.17921 490.4136       76.11459 359.8354       99.12321 678.0375       118.8185 108.8767 16.00043 150.6760 13.59186 -41.79928      20.99411 
1 1 1 -9  5  35 o 108.4336 12.59706 352.8177       78.62010 316.1139       109.2246 392.2811       113.2562 101.0875 19.12379 113.2809 17.61985 -12.19347      26.00344 
1 1 1 -9  5  36 o 46.24883 18.70197 29.56767       78.56889 -33.88315      106.9757 103.8811       115.7711 45.28915 20.12044 64.11626 23.51872 -18.82711      30.95097 
1 1 1 -9  5  37 o 437.1448 7.465702 5629.513       191.4020 5773.590       275.1189 5494.366       266.4555 441.6658 10.62126 430.8824 10.54424 10.78345       14.96637 
1 1 1 -9  5  38 o 371.2971 7.116408 4061.150       154.9647 4075.726       220.5172 4046.928       217.8143 370.9557 10.14560 369.6743 10.05588 1.281464       14.28475 
1 1 1 -9  5  39 f 149.5436 15.04595 677.4095       130.1671 703.3293       175.0469 645.3484       194.6830 150.4901 20.35472 142.4748 24.16148 8.015244       31.59259 
1 1 1 -9  5  40 o 61.32593 20.17855 112.5247       84.01608 192.6745       118.9436 32.71623       118.6901 77.86150 23.82483 54.32369 22.58490 23.53781       32.82834 
1 1 1 -9  5  41 o 135.9473 14.07833 563.8137       110.6237 847.3491       229.6670 478.1595       126.2320 160.9810 25.14823 123.5886 17.93934 37.39233       30.89099 
1 1 1 -9  5  42 o 122.6746 12.27922 457.5708       87.15763 510.7908       124.8035 406.9053       121.7714 127.6662 17.09814 112.8485 19.07851 14.81761       25.61906 
1 1 1 -9  5  43 o 139.0932 11.16401 585.2960       90.30611 591.8229       128.2501 578.8776       127.1809 137.6057 16.20187 136.0452 16.26168 1.560455       22.95524 
1 1 1 -9  5  44 o 172.7971 9.774362 897.3770       98.65086 879.6915       135.2240 917.4989       144.2387 169.0935 13.75435 172.3250 14.40357 -3.231506      19.91595 
1 1 1 -9  5  45 o 247.8506 7.930306 1832.672       115.1254 1794.810       157.4458 1876.174       168.7669 243.3201 11.06217 248.3681 11.61840 -5.048004      16.04240 
1 1 1 -9  5  46 o 69.79794 20.73720 164.5491       91.07257 196.3863       129.2611 133.1660       128.3360 75.18502 25.03988 65.77363 24.64280 9.411392       35.13208 
1 1 1 -9  5  47 o 111.4306 15.34527 396.2233       97.62357 245.7094       131.4044 581.6303       145.8428 82.42800 25.00590 132.4483 19.34614 -50.02026      31.61595 
1 1 1 -9  5  48 o 108.2787 17.96499 387.9065       110.0864 383.9590       154.1824 392.0118       157.2339 101.7715 25.80097 102.6309 26.07470 -0.8594055     36.68214 
1 1 1 -9  5  49 o 116.4081 17.60453 447.6151       116.4372 425.8671       166.8156 468.2776       162.5995 105.8298 26.84118 112.7767 25.21737 -6.946815      36.82887 
1 1 1 -9  5  50 o 134.9088 17.09717 598.6854       132.2408 518.0767       196.9840 664.8198       178.4239 113.6309 29.35255 136.5742 23.09854 -22.94324      37.35123 
1 1 1 -9  5  51 o 99.91028 23.84213 369.2087       137.7521 95.00707       212.2984 568.6018       181.0367 65.43608 28.73797 122.5074 26.00260 -57.07135      38.75573 
1 1 1 -9  6  1  o 923.9247 21.60409 25277.74       1170.639 26117.70       1696.617 24514.47       1617.297 933.8590 31.02096 905.0186 30.51429 28.84039       43.51347 
1 1 1 -9  6  2  o 1274.347 42.63312 49471.43       3181.805 0.000000       0.000000 49471.43       3181.805 ?        ?        1274.347 42.63312 0.000000       42.63312 
1 1 1 -9  6  3  o 616.4476 12.34002 11177.78       446.1310 10675.82       739.3006 11465.26       559.4816 600.3272 21.03070 623.8087 15.29269 -23.48145      26.00302 
1 1 1 -9  6  4  o 592.5146 14.52769 10337.44       504.8311 10452.69       717.3979 10224.38       710.5295 594.2199 20.61678 587.6785 20.64748 6.541382       29.17824 
1 1 1 -9  6  5  o 301.5298 7.145766 2668.676       126.3658 2758.928       180.3947 2581.722       177.0682 306.2788 10.05647 296.2550 10.20642 10.02374       14.32842 
1 1 1 -9  6  6  o 212.0123 6.966805 1320.608       86.50779 1301.236       119.5620 1341.891       125.3222 210.2581 9.722259 213.4984 10.03691 -3.240326      13.97362 
1 1 1 -9  6  7  o 700.2504 11.88032 14410.66       487.9012 14168.86       681.2169 14665.33       699.1245 693.5982 16.74661 705.6179 16.89407 -12.01971      23.78778 
1 1 1 -9  6  8  o 340.7271 7.453349 3406.990       148.9391 3414.323       210.6594 3399.660       210.6039 340.7984 10.55253 340.0635 10.57265 0.7348938      14.93776 
1 1 1 -9  6  9  o 161.8903 7.264932 770.5809       68.80106 797.2818       94.52018 740.4913       100.3391 164.4986 9.842431 158.4230 10.86523 6.075577       14.66038 
1 1 1 -9  6  10 o 671.7409 11.45427 13251.34       451.2526 13095.65       633.2779 13411.94       643.1723 667.2971 16.18172 675.3004 16.23977 -8.003296      22.92549 
1 1 1 -9  6  11 f 321.0137 7.209521 3023.437       135.7315 3117.244       197.0877 2938.805       187.2003 325.7004 10.33095 316.2462 10.10622 9.454193       14.45214 
1 1 1 -9  6  12 o 914.3609 17.40255 24590.15       933.2137 24076.41       1124.406 25727.44       1672.963 904.1014 21.20584 931.8414 30.65387 -27.73993      37.27395 
1 1 1 -9  6  13 o 522.3118 13.38640 8019.345       409.7191 8019.345       409.7191 0.000000       0.000000 522.3118 13.38640 ?        ?        0.000000       13.38640 
1 1 1 -9  6  14 o 534.2741 13.44738 8391.289       421.0241 9070.324       624.3443 7824.976       570.1725 554.7806 19.21802 515.2845 18.89927 39.49603       26.95394 
1 1 1 -9  6  15 o 414.8858 9.352542 5052.257       227.5668 4859.559       378.4527 5161.392       284.8083 406.2266 15.91600 419.0774 11.59914 -12.85074      19.69414 
1 1 1 -9  6  16 o 894.8549 14.81007 23539.54       777.2493 23829.08       1111.545 23262.53       1087.251 899.2051 21.07743 888.4957 20.86527 10.70947       29.65834 
1 1 1 -9  6  17 o 226.3875 8.652939 1506.427       114.6744 1376.361       177.0988 1600.333       150.4811 215.9383 14.06059 233.1815 11.03497 -17.24321      17.87375 
1 1 1 -9  6  18 o 681.7388 11.73081 13653.11       469.0256 14667.03       702.6643 12838.33       629.8914 705.9118 16.97254 660.5417 16.25979 45.37012       23.50421 
1 1 1 -9  6  19 o 369.8643 7.783955 4014.919       168.8470 3877.966       238.4365 4152.678       239.1364 363.1629 11.20833 375.8481 10.86021 -12.68524      15.60676 
1 1 1 -9  6  20 o 321.4485 7.317070 3032.624       137.9428 2983.378       196.9000 3080.091       193.3108 318.5053 10.55550 323.6630 10.19658 -5.157715      14.67613 
1 1 1 -9  6  21 f 562.2106 10.20261 9286.918       336.4039 8907.639       653.6689 9423.563       392.3504 548.6413 20.35036 566.1418 11.81676 -17.50055      23.53238 
1 1 1 -9  6  22 o 170.9612 7.165367 859.5250       71.68405 846.8616       201.4176 861.3616       76.70641 167.8896 20.90790 171.1089 7.663230 -3.219345      22.26803 
1 1 1 -9  6  23 o 207.9794 6.490064 1270.982       79.06567 1111.107       205.9565 1298.616       85.62666 192.9854 18.42025 210.1992 6.955461 -17.21382      19.68969 
1 1 1 -9  6  24 o 166.0911 6.821435 811.3884       66.30517 604.4161       180.0813 843.8476       71.31518 140.8503 22.56147 169.3579 7.196431 -28.50757      23.68140 
1 1 1 -9  6  25 o 235.3349 6.316302 1627.367       87.09774 1648.457       224.7803 1623.642       94.47855 235.4876 16.37776 235.0217 6.861830 0.4659271      17.75713 
1 1 1 -9  6  26 o 482.5782 12.76852 6875.898       361.0580 7430.646       544.6548 6440.993       482.2482 499.7833 18.61438 465.5899 17.69325 34.19333       25.68163 
1 1 1 -9  6  27 o 370.7510 6.980944 4039.000       151.7913 3914.670       344.0783 4069.044       169.1397 363.0269 16.20181 372.0387 7.751877 -9.011749      17.96080 
1 1 1 -9  6  28 f 266.5427 6.570594 2087.524       102.7122 1964.502       248.8988 2112.774       112.7612 256.6576 16.62498 268.0019 7.180634 -11.34424      18.10943 
1 1 1 -9  6  29 o 154.6948 8.547429 706.4211       77.24498 0.000000       0.000000 706.4211       77.24498 ?        ?        154.6948 8.547429 0.000000       8.547429 
1 1 1 -9  6  30 o 282.5736 9.775619 2355.841       161.7603 0.000000       0.000000 2355.841       161.7603 ?        ?        282.5736 9.775619 0.000000       9.775619 
1 1 1 -9  6  31 o 172.4319 7.901048 876.5231       79.68879 1089.468       211.4822 841.2844       86.03004 190.0182 19.24195 168.8242 8.718437 21.19402       21.12496 
1 1 1 -9  6  32 o 301.0905 7.108712 2665.286       125.5274 2643.673       300.2478 2669.864       138.1836 297.4990 17.28294 301.1649 7.830149 -3.665924      18.97396 
1 1 1 -9  6  33 o 145.5937 9.602966 627.3185       81.53925 627.1122       110.1319 627.5687       121.3038 145.0048 13.09115 144.7882 14.47937 0.2166138      19.52000 
1 1 1 -9  6  34 o 195.2752 7.656610 1123.727       87.51682 1230.186       122.4240 1012.464       125.1562 203.9395 10.26868 184.7315 11.61082 19.20801       15.50022 
1 1 1 -9  6  35 o 269.7543 6.911386 2141.889       109.2512 2209.670       150.4145 2066.200       158.9474 273.5594 9.389271 264.3377 10.27238 9.221680       13.91691 
1 1 1 -9  6  36 o 126.9969 11.16980 481.0039       82.34672 449.8782       114.1129 514.8239       118.9493 121.5916 16.42163 130.3492 15.88762 -8.757545      22.84921 
1 1 1 -9  6  37 o 347.9416 7.054919 3564.930       143.9623 3537.587       200.8861 3593.798       206.4133 345.7623 9.916780 348.4385 10.11162 -2.676208      14.16288 
1 1 1 -9  6  38 o 114.5598 13.21462 395.9275       87.15939 484.5561       123.7371 308.6471       122.7923 125.7728 17.22724 98.67756 21.79995 27.09521       27.78517 
1 1 1 -9  6  39 o 191.7914 9.991948 1092.983       112.0030 1155.006       187.5336 1058.593       139.6439 194.9949 16.55488 187.9704 12.74257 7.024582       20.89108 
1 1 1 -9  6  40 o 216.2345 8.435117 1385.698       106.7659 1492.826       155.2696 1289.618       147.0455 223.3039 11.89900 207.4175 12.14112 15.88635       16.99980 
1 1 1 -9  6  41 o 209.6849 8.189147 1304.978       100.5126 1369.540       142.9458 1241.839       141.3600 213.6055 11.45247 203.1810 11.91525 10.42456       16.52671 
1 1 1 -9  6  42 o 58.52897 20.25620 101.4987       84.67293 146.9257       122.5350 59.98482       117.1384 69.27109 24.34199 56.45667 22.83348 12.81442       33.37514 
1 1 1 -9  6  43 o 92.70717 16.64831 273.2870       87.19125 192.9340       124.8809 349.7133       121.7912 76.22077 24.56838 103.1456 20.85112 -26.92486      32.22382 
1 1 1 -9  6  44 o 143.0384 11.40428 621.6825       94.87727 586.3993       128.0226 664.6718       141.3132 136.4532 16.32082 145.0015 16.93584 -8.548279      23.52003 
1 1 1 -9  6  45 o 127.3023 12.52500 499.0172       92.30169 484.9323       129.1957 513.7013       131.9154 122.1137 18.62873 125.8754 18.41381 -3.761726      26.19347 
1 1 1 -9  6  46 o 64.29209 21.07008 136.4482       91.64120 94.58793       127.2672 181.5252       132.0665 60.51243 24.02821 72.85116 25.29325 -12.33873      34.88700 
1 1 1 -9  6  47 o 36.98347 17.40922 -82.58991      97.23798 -78.63606      134.0890 -86.97539      141.2184 44.87857 20.90320 45.60484 21.31094 -0.7262726     29.85130 
1 1 1 -9  6  48 o 75.04001 22.69294 200.0079       108.3387 118.0230       155.0422 278.2368       151.4490 64.71224 26.23408 85.64228 26.99540 -20.93004      37.64278 
1 1 1 -9  6  49 o 80.88676 22.99624 236.7237       114.2353 84.72598       162.3453 385.7904       160.7724 61.50752 26.04348 100.4493 26.79667 -38.94174      37.36742 
1 1 1 -9  6  50 o 117.8135 18.71239 467.6906       124.9748 387.9002       184.4281 535.4385       169.9415 97.24191 29.64984 120.5393 24.86489 -23.29743      38.69594 
1 1 1 -9  7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7  2  o 938.1447 31.46568 26316.69       1728.791 0.000000       0.000000 26316.69       1728.791 ?        ?        938.1447 31.46568 0.000000       31.46568 
1 1 1 -9  7  3  o 609.4034 14.88112 10934.47       531.8522 11617.87       782.3817 10347.36       725.1768 626.4661 21.32575 591.2790 20.94534 35.18713       29.89138 
1 1 1 -9  7  4  o 240.3925 8.764054 1699.105       123.3528 1616.487       164.6047 1804.932       186.2967 234.1856 12.02509 247.4047 12.88385 -13.21915      17.62374 
1 1 1 -9  7  5  o 145.8653 8.022700 626.4530       68.36714 614.9541       92.06642 640.5887       102.0783 144.2588 10.96411 147.1510 11.93047 -2.892212      16.20332 
1 1 1 -9  7  6  o 412.3211 8.122725 4990.277       196.4210 4883.000       275.5768 5101.058       280.0394 407.4959 11.54268 416.5090 11.47515 -9.013123      16.27613 
1 1 1 -9  7  7  o 456.5385 8.604498 6118.104       230.3846 6025.428       323.9865 6212.899       327.6708 452.6705 12.21494 459.6687 12.16534 -6.998199      17.23950 
1 1 1 -9  7  8  o 639.1794 11.02950 11998.32       413.4558 11814.18       578.6875 12190.34       590.9344 633.7823 15.56874 643.7827 15.65127 -10.00043      22.07596 
1 1 1 -9  7  9  o 700.0038 11.88474 14391.73       487.9109 14491.96       693.6780 14293.60       686.4001 701.8729 16.85190 697.0609 16.79021 4.812012       23.78861 
1 1 1 -9  7  10 o 434.8562 8.353072 5549.173       213.0308 5621.435       303.9421 5479.397       298.6692 437.3565 11.86058 431.7962 11.80508 5.560303       16.73419 
1 1 1 -9  7  11 o 634.4285 10.93241 11816.86       406.7703 11710.95       572.8818 11924.55       577.6682 631.2027 15.47553 636.9341 15.46441 -5.731384      21.87785 
1 1 1 -9  7  12 o 610.9724 10.61987 10958.41       380.5322 10892.92       537.1771 11024.39       539.1358 608.8026 15.04494 612.4688 15.00941 -3.666260      21.25165 
1 1 1 -9  7  13 o 531.9167 13.92202 8318.679       433.9331 7757.052       596.2310 8951.198       632.7436 512.9233 19.85788 551.0815 19.60894 -38.15820      27.90781 
1 1 1 -9  7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7  15 o 677.3675 16.32043 13494.01       648.3455 13578.29       918.8074 13410.43       915.0024 678.0918 23.13780 673.8727 23.18683 4.219116       32.75648 
1 1 1 -9  7  16 o 856.6005 16.42010 21584.07       824.9066 21071.07       1395.399 21859.66       1022.756 843.3265 28.25307 861.3535 20.24603 -18.02692      34.75828 
1 1 1 -9  7  17 o 249.7433 7.902095 1832.225       115.5952 1995.547       171.3835 1695.914       156.5714 260.4215 11.24778 240.0437 11.15219 20.37784       15.83931 
1 1 1 -9  7  18 o 316.5347 8.839019 2943.452       163.9270 3120.914       210.0906 2667.259       262.0965 325.7842 11.01161 300.7786 14.90454 25.00555       18.53108 
1 1 1 -9  7  19 o 912.6888 13.72758 24495.14       734.7969 23560.09       1571.158 24756.91       831.3135 889.8743 30.14868 917.2104 15.45416 -27.33612      33.87881 
1 1 1 -9  7  20 o 187.2108 7.194185 1030.167       78.84135 1001.773       218.2664 1034.427       84.54998 183.0190 20.69760 187.5658 7.702545 -4.546860      22.08438 
1 1 1 -9  7  21 o 644.0960 12.84614 12205.20       485.2592 11694.71       824.8625 12475.38       600.0861 627.9927 22.43234 650.6556 15.72577 -22.66296      27.39544 
1 1 1 -9  7  22 o 715.0574 11.05562 15035.34       463.6332 14179.39       980.2796 15281.98       526.2078 690.3441 24.24984 720.6294 12.45073 -30.28528      27.25941 
1 1 1 -9  7  23 o 609.6360 9.690006 10925.35       346.4537 10785.66       760.7879 10961.90       389.1456 602.4203 21.56825 610.4602 10.86937 -8.039856      24.15228 
1 1 1 -9  7  24 o 369.7942 6.929715 4015.844       150.2886 4038.264       349.5009 4010.758       166.4649 369.2792 16.17700 369.4981 7.681744 -0.2188721     17.90823 
1 1 1 -9  7  25 o 206.6967 6.571943 1255.976       79.56567 1095.513       206.1668 1284.058       86.24737 191.2575 18.61545 208.9579 7.047878 -17.70045      19.90496 
1 1 1 -9  7  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7  27 o 287.8958 6.589723 2435.041       111.2636 2297.478       257.1425 2466.729       123.4148 277.9679 15.83908 289.6133 7.271799 -11.64542      17.42858 
1 1 1 -9  7  28 o 247.1407 7.133601 1796.919       103.2878 0.000000       0.000000 1796.919       103.2878 ?        ?        247.1407 7.133601 0.000000       7.133601 
1 1 1 -9  7  29 o 320.0710 8.885398 3018.454       166.6301 0.000000       0.000000 3018.454       166.6301 ?        ?        320.0710 8.885398 0.000000       8.885398 
1 1 1 -9  7  30 o 368.6135 7.793601 3997.039       168.4845 0.000000       0.000000 3997.039       168.4845 ?        ?        368.6135 7.793601 0.000000       7.793601 
1 1 1 -9  7  31 o 263.1634 10.49394 2045.594       161.6378 2440.083       281.6081 1851.771       197.3917 285.8882 16.87071 249.7579 13.52642 36.13037       21.62371 
1 1 1 -9  7  32 o 226.1751 7.538911 1506.115       99.86115 1527.138       263.9952 1502.605       107.8769 224.9996 20.22165 225.8335 8.158374 -0.8339386     21.80537 
1 1 1 -9  7  33 o 173.5204 8.982539 889.1227       91.10017 913.7686       250.4427 885.3642       97.80006 171.8196 25.63663 173.0557 9.674644 -1.236145      27.40138 
1 1 1 -9  7  34 o 185.4018 7.868089 1013.542       85.35820 965.3970       117.6324 1067.085       124.0528 180.4272 11.17145 189.7205 11.19897 -9.293243      15.81829 
1 1 1 -9  7  35 o 164.1542 8.852228 796.6339       84.90742 811.4373       118.0310 780.7576       122.2337 165.0659 12.28035 161.7486 12.99472 3.317337       17.87931 
1 1 1 -9  7  36 o 39.25207 17.37881 -23.64320      79.13480 -127.4829      109.3179 90.67930       114.7032 38.25081 18.14094 61.95167 23.27907 -23.70086      29.51286 
1 1 1 -9  7  37 o 181.0248 9.717587 971.4506       102.7904 922.7269       125.1414 1072.502       180.2197 175.8594 12.20928 188.3920 16.47700 -12.53264      20.50751 
1 1 1 -9  7  38 o 273.6125 10.44749 2221.070       167.3399 0.000000       0.000000 2221.070       167.3399 ?        ?        273.6125 10.44749 0.000000       10.44749 
1 1 1 -9  7  39 o 142.7371 11.94462 610.8476       99.07468 528.1834       143.0112 687.1341       137.3837 130.3380 19.29065 150.2574 15.82756 -19.91933      24.95277 
1 1 1 -9  7  40 o 92.40907 18.42928 270.0068       96.37417 7.320914       154.4339 437.5557       123.3375 57.79257 24.95436 118.2918 18.37427 -60.49924      30.98925 
1 1 1 -9  7  41 o 107.9212 14.08976 358.0531       87.05119 308.3487       125.0946 404.7223       121.2150 96.86204 22.45862 112.8907 18.98111 -16.02868      29.40531 
1 1 1 -9  7  42 o 84.94403 17.62269 231.2363       84.91178 224.4350       121.6213 237.7042       118.6024 81.91810 23.86524 84.31403 23.23975 -2.395935      33.31119 
1 1 1 -9  7  43 o 218.9360 8.291632 1428.005       106.2728 1479.454       149.2579 1375.105       151.3488 221.2375 11.54338 212.9176 12.17111 8.319901       16.77455 
1 1 1 -9  7  44 o 105.1300 15.15679 347.5530       90.75506 414.2332       126.2215 276.1842       130.5837 112.4417 19.86697 89.31174 24.29239 23.12994       31.38179 
1 1 1 -9  7  45 o 62.86531 20.93484 127.7635       90.35349 18.35565       123.7725 252.5809       132.2019 51.68687 22.32916 84.56966 24.94889 -32.88279      33.48191 
1 1 1 -9  7  46 o 64.30598 21.69880 135.8715       97.03580 152.8578       131.1133 115.2994       144.2897 68.54590 25.04708 64.59314 25.60522 3.952759       35.81876 
1 1 1 -9  7  47 o 95.18585 19.54235 305.7438       105.4371 180.8687       143.5211 452.1617       155.4086 72.27879 26.23629 112.6375 24.24420 -40.35868      35.72288 
1 1 1 -9  7  48 f 143.3927 13.23735 643.4530       110.0655 591.5873       153.1976 698.7869       158.2368 132.0045 20.44932 144.8203 19.09549 -12.81572      27.97879 
1 1 1 -9  7  49 o 52.84961 22.03660 54.99187       113.4773 -143.1937      168.1210 220.8436       153.7963 46.23000 22.08531 76.60297 27.23840 -30.37297      35.06695 
1 1 1 -9  7  50 o 102.1218 21.21544 366.2942       122.9074 393.3343       185.9141 345.3014       163.8110 97.79462 29.75919 93.34277 27.83115 4.451851       40.74533 
1 1 1 -9  8  1  o 460.1859 11.97554 6228.717       322.9310 6117.783       446.9664 6349.863       467.0844 455.4066 16.76358 463.9043 17.19764 -8.497711      24.01617 
1 1 1 -9  8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  4  f 327.1163 9.722896 3145.012       186.3228 3187.679       260.3769 3100.234       266.7389 328.9794 13.52416 324.3703 14.05486 4.609100       19.50492 
1 1 1 -9  8  5  o 131.1532 8.956317 507.3188       68.47698 506.0428       94.86138 508.7071       98.95013 130.6256 12.53627 130.9091 13.06251 -0.2834930     18.10490 
1 1 1 -9  8  6  o 566.9846 10.05618 9439.223       334.3911 9272.014       466.6290 9615.733       479.4317 561.3965 14.18402 571.8765 14.29466 -10.47998      20.13762 
1 1 1 -9  8  7  o 584.9589 10.29719 10046.74       353.2600 9892.146       493.4326 10209.30       505.9734 579.8953 14.52010 589.2886 14.64028 -9.393311      20.61967 
1 1 1 -9  8  8  o 675.8406 11.57032 13413.91       458.6065 13196.20       640.6660 13642.71       656.7689 669.8423 16.30830 681.0638 16.44274 -11.22156      23.15867 
1 1 1 -9  8  9  o 575.3492 10.19479 9717.481       344.0016 9435.812       477.5768 10021.21       495.9253 566.4641 14.38706 583.9501 14.48072 -17.48602      20.41270 
1 1 1 -9  8  10 o 627.5839 12.60338 11567.78       463.8841 11817.12       824.7568 11452.40       561.0381 632.8699 22.25550 624.2106 15.32536 8.659363       27.02174 
1 1 1 -9  8  11 o 331.2144 7.425272 3218.664       144.2355 3340.493       209.6487 3109.175       198.7472 337.1623 10.61559 325.2794 10.43172 11.88293       14.88326 
1 1 1 -9  8  12 o 465.3852 12.27686 6365.081       334.7888 6462.605       466.1903 6261.225       481.0868 468.4691 16.99621 461.0050 17.82734 7.464081       24.63098 
1 1 1 -9  8  13 o 610.8533 10.70626 10954.98       383.5529 10914.70       544.1107 10994.76       540.7565 609.3588 15.22522 611.6039 15.07582 -2.245178      21.42633 
1 1 1 -9  8  14 o 553.7638 13.87708 9016.654       450.3300 9675.051       664.2065 8456.520       612.6400 572.8496 19.80001 535.5558 19.53793 37.29376       27.81674 
1 1 1 -9  8  15 o 842.3405 19.82269 20899.00       979.2664 22559.47       1465.187 19558.44       1316.499 872.5981 28.66937 812.7151 27.66082 59.88306       39.83784 
1 1 1 -9  8  16 o 608.2526 12.30326 10868.77       438.8891 10217.39       719.5599 11254.66       553.8405 588.3724 20.88592 618.6525 15.26467 -30.28009      25.86951 
1 1 1 -9  8  17 f 286.0154 9.963827 2404.821       166.8793 2645.038       233.9973 2156.187       238.0611 299.6938 13.34668 270.3503 15.07419 29.34351       20.13368 
1 1 1 -9  8  18 o 641.0960 10.12576 12069.56       380.7160 11918.53       852.9019 12107.14       425.4548 634.7825 22.94768 641.9801 11.30008 -7.197571      25.57905 
1 1 1 -9  8  19 o 243.3942 6.768321 1739.770       96.52058 1767.449       277.3461 1735.956       102.9565 244.0004 19.54452 243.1014 7.229337 0.8990021      20.83870 
1 1 1 -9  8  20 o 487.7371 9.421204 6987.184       269.4900 6801.004       533.0621 7051.106       312.3447 479.6291 18.98807 489.8303 10.87271 -10.20123      21.88065 
1 1 1 -9  8  21 o 399.6236 7.256826 4688.192       170.0781 4603.549       405.1967 4706.294       187.3842 394.5552 17.55482 400.3477 7.980776 -5.792572      19.28379 
1 1 1 -9  8  22 o 337.6520 6.800297 3346.912       134.6628 3347.725       328.3391 3346.748       147.6525 336.3444 16.69736 337.6055 7.457283 -1.261078      18.28695 
1 1 1 -9  8  23 o 468.7944 7.935046 6455.801       218.1637 6162.478       482.3707 6531.230       244.6113 455.9961 18.07300 471.4243 8.847364 -15.42822      20.12236 
1 1 1 -9  8  24 o 202.4167 6.522350 1204.362       77.32745 1350.490       215.9173 1182.862       82.82097 212.8684 17.44819 200.5590 7.052192 12.30948       18.81948 
1 1 1 -9  8  25 o 508.7748 8.494525 7610.566       253.4634 7385.978       557.8046 7669.004       284.5344 498.1969 19.12661 510.5554 9.502577 -12.35849      21.35711 
1 1 1 -9  8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  27 o 272.6861 8.583433 2189.823       137.0987 0.000000       0.000000 2189.823       137.0987 ?        ?        272.6861 8.583433 0.000000       8.583433 
1 1 1 -9  8  28 o 286.4936 8.564884 2417.663       143.7471 0.000000       0.000000 2417.663       143.7471 ?        ?        286.4936 8.564884 0.000000       8.564884 
1 1 1 -9  8  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  30 o 149.8829 9.733408 664.7546       85.09660 1013.466       204.2492 591.5110       93.60783 183.1827 19.30167 141.0979 11.40928 42.08478       22.42155 
1 1 1 -9  8  31 o 114.6852 11.20175 391.8010       74.38367 425.4699       208.8859 386.9117       79.60163 115.6301 30.40466 113.8099 12.11173 1.820259       32.72824 
1 1 1 -9  8  32 o 266.7706 7.268367 2094.157       113.6110 2554.387       313.1461 2024.396       121.9179 292.0386 18.37654 262.1979 7.937580 29.84073       20.01755 
1 1 1 -9  8  33 o 463.2022 8.213562 6315.193       223.1273 6462.164       521.2621 6282.223       246.8893 464.3439 19.18236 461.7916 9.116031 2.552246       21.23829 
1 1 1 -9  8  34 o 185.6938 7.815491 1016.760       84.92430 1012.801       112.5257 1022.001       129.4463 184.9358 10.41692 185.4897 11.96303 -0.5538940     15.86274 
1 1 1 -9  8  35 o 369.7531 6.967754 4022.811       151.0968 4101.699       214.9369 3945.738       212.4510 372.6007 9.844586 365.4216 9.922388 7.179077       13.97747 
1 1 1 -9  8  36 o 81.03478 17.63388 204.5997       81.41837 258.9458       116.7446 153.1369       113.6055 90.47619 22.17647 71.69220 23.45751 18.78399       32.28080 
1 1 1 -9  8  37 o 191.1832 10.89069 1086.348       121.6062 957.8431       260.0418 1122.316       137.5762 173.9433 26.31217 194.0182 12.15169 -20.07489      28.98265 
1 1 1 -9  8  38 f 76.29539 20.05685 183.7804       90.91219 46.25658       131.5724 309.4275       125.7627 58.54704 24.00339 98.55487 22.28295 -40.00783      32.75199 
1 1 1 -9  8  39 o 189.9360 9.185517 1070.512       102.0169 1193.291       151.3627 968.3138       138.0956 199.4026 13.01419 179.4768 13.21222 19.92583       18.54540 
1 1 1 -9  8  40 o 138.8587 12.20446 581.5034       98.37977 457.0301       154.4184 666.5441       127.6363 118.8165 22.99138 147.7656 14.93292 -28.94915      27.41524 
1 1 1 -9  8  41 o 211.2224 8.452375 1326.401       104.4940 1333.128       148.0768 1319.728       147.4787 210.2841 12.05742 209.2151 12.07073 1.068985       17.06118 
1 1 1 -9  8  42 o 39.24848 17.66296 -31.88608      85.32407 -40.05252      125.8518 -24.93937      116.0734 47.53422 21.41642 46.90659 20.89153 0.6276360      29.91854 
1 1 1 -9  8  43 o 118.0484 13.24346 428.7741       90.10886 423.4746       126.5915 434.2169       128.2918 114.2895 19.59102 115.7569 19.59584 -1.467354      27.70929 
1 1 1 -9  8  44 o 94.08588 17.07221 284.9027       90.73471 382.7497       126.1137 179.9020       130.6426 107.3381 20.78465 73.48468 25.17174 33.85342       32.64381 
1 1 1 -9  8  45 o 44.29857 19.28492 1.723851       93.78275 -79.17169      131.6842 84.98305       133.5941 44.84353 20.82848 60.31472 24.38794 -15.47119      32.07175 
1 1 1 -9  8  46 o 44.84771 19.60729 1.066373       97.83498 17.97803       134.9299 -17.68111      142.0648 53.03186 23.10871 51.03650 22.89398 1.995369       32.52916 
1 1 1 -9  8  47 o 81.51535 21.82035 232.7096       106.3778 292.3196       146.5958 166.4077       154.6055 88.62931 26.30422 70.69926 26.92189 17.93005       37.63908 
1 1 1 -9  8  48 o 81.12886 22.26607 234.1039       109.1374 264.9084       152.6349 201.8803       156.1109 83.43789 27.18286 74.63515 27.32137 8.802742       38.54043 
1 1 1 -9  8  49 o 76.72432 23.51646 214.9069       115.8224 318.3285       174.6203 133.6662       154.7662 88.88496 29.08231 65.72102 26.36304 23.16394       39.25290 
1 1 1 -9  8  50 o 75.75238 24.77973 213.7782       126.7773 274.1822       200.8747 173.7899       163.4403 81.83516 30.79441 70.35208 27.44309 11.48308       41.24826 
1 1 1 -9  9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  9  2  o 964.1843 22.36149 27447.14       1264.478 27693.79       1799.183 27206.39       1777.498 964.6464 31.84583 956.1569 31.74182 8.489502       44.96331 
1 1 1 -9  9  3  o 1119.051 25.84994 37047.40       1696.523 40966.14       2596.563 34128.40       2241.006 1170.280 37.88184 1069.192 35.78898 101.0883       52.11415 
1 1 1 -9  9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  9  5  o 620.4081 12.43960 11308.02       452.6208 11591.03       784.6534 11166.89       554.1012 626.6235 21.38244 616.2260 15.33199 10.39746       26.31119 
1 1 1 -9  9  6  o 618.9025 12.38704 11251.88       449.6147 10886.40       748.4953 11458.21       562.3832 607.4086 21.04331 624.2576 15.36094 -16.84906      26.05340 
1 1 1 -9  9  7  f 841.0390 13.97437 20785.48       689.2852 20483.34       963.1325 21102.71       986.8947 834.0469 19.68997 846.5292 19.87826 -12.48230      27.97928 
1 1 1 -9  9  8  o 125.1810 8.774035 462.1286       64.00729 457.5502       85.51807 467.9604       96.51655 124.2595 11.87931 125.5121 13.31477 -1.252647      17.84379 
1 1 1 -9  9  9  o 121.1069 9.156547 432.9001       64.55376 397.6462       85.23670 480.3192       98.85529 115.6558 12.77921 127.1632 13.45930 -11.50742      18.55966 
1 1 1 -9  9  10 o 861.9551 14.28532 21830.50       722.1462 21459.09       1008.642 22221.11       1034.383 853.7435 20.14462 868.7426 20.30204 -14.99908      28.60032 
1 1 1 -9  9  11 o 967.5461 15.87315 27520.75       900.7109 27048.79       1257.380 28018.19       1290.875 958.0218 22.37900 974.9948 22.57520 -16.97302      31.78772 
1 1 1 -9  9  12 o 970.7556 15.94696 27706.38       907.9008 27855.74       1292.690 27560.99       1275.416 972.0681 22.67499 966.9531 22.49033 5.115051       31.93697 
1 1 1 -9  9  13 o 767.7638 12.97123 17316.46       584.0626 17044.79       819.5527 17596.84       832.5798 761.0293 18.36221 773.2558 18.35913 -12.22650      25.96591 
1 1 1 -9  9  14 o 887.0033 20.75306 23182.45       1079.588 24700.14       1600.780 21916.24       1462.155 912.7371 29.94497 859.9929 29.03160 52.74420       41.70773 
1 1 1 -9  9  15 o 667.9602 16.16837 13123.81       633.3845 13486.25       909.8174 12782.97       882.2984 675.6755 22.99316 657.8205 22.90449 17.85504       32.45461 
1 1 1 -9  9  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  9  17 o 599.2428 9.634656 10543.24       338.6020 10916.14       790.2329 10459.38       374.7465 607.6998 22.20990 596.7664 10.70737 10.93341       24.65618 
1 1 1 -9  9  18 o 725.2521 11.24260 15453.29       478.1963 15831.44       1086.564 15362.45       532.5428 730.8158 25.38967 722.9477 12.56022 7.868103       28.32657 
1 1 1 -9  9  19 o 534.2618 8.777323 8381.180       275.0215 7895.098       618.8159 8500.822       307.0079 516.6241 20.46427 537.9799 9.730450 -21.35583      22.65984 
1 1 1 -9  9  20 o 316.1624 8.820724 2937.959       163.3956 2599.631       321.7119 3055.572       189.6818 296.1589 18.61635 322.3243 10.04645 -26.16541      21.15419 
1 1 1 -9  9  21 o 192.0857 7.235075 1084.769       81.36014 978.4076       235.4087 1099.198       86.70300 180.2311 22.77903 193.3305 7.662035 -13.09947      24.03312 
1 1 1 -9  9  22 o 159.6620 7.358094 750.1511       68.71444 762.5385       215.6407 748.7511       72.49340 158.3870 23.96269 159.4801 7.774135 -1.093048      25.19221 
1 1 1 -9  9  23 o 586.8132 9.277050 10123.58       319.2716 10184.58       728.0153 10109.06       355.2568 585.0331 21.25357 586.2114 10.33327 -1.178223      23.63241 
1 1 1 -9  9  24 o 219.9999 6.694659 1422.754       86.27716 1193.044       235.5576 1458.344       92.72034 199.2890 20.44360 222.7027 7.108133 -23.41376      21.64409 
1 1 1 -9  9  25 o 244.4416 6.487394 1756.199       92.92056 1416.687       242.0010 1814.909       100.6346 217.4690 19.17052 248.4583 6.912982 -30.98930      20.37886 
1 1 1 -9  9  26 o 621.5878 9.645824 11374.40       351.6352 12001.70       838.6467 11240.59       387.3262 632.5621 22.64261 617.6444 10.69271 14.91772       25.04041 
1 1 1 -9  9  27 o 252.7528 10.17112 1885.407       150.4621 1900.688       249.1560 1876.636       188.7691 252.3571 16.93269 251.6873 12.83082 0.6697540      21.24491 
1 1 1 -9  9  28 o 248.8764 7.187966 1822.498       104.8057 0.000000       0.000000 1822.498       104.8057 ?        ?        248.8764 7.187966 0.000000       7.187966 
1 1 1 -9  9  29 o 209.6434 9.644339 1297.709       118.2603 0.000000       0.000000 1297.709       118.2603 ?        ?        209.6434 9.644339 0.000000       9.644339 
1 1 1 -9  9  30 o 347.0045 7.786761 3542.081       158.4684 0.000000       0.000000 3542.081       158.4684 ?        ?        347.0045 7.786761 0.000000       7.786761 
1 1 1 -9  9  31 o 297.9102 7.120171 2609.302       124.4017 3181.287       330.4078 2514.825       134.2832 326.4240 17.32108 292.2821 7.840818 34.14188       19.01311 
1 1 1 -9  9  32 o 207.3946 8.094461 1267.573       98.26554 1201.534       262.1374 1278.370       105.9946 198.4705 22.94265 208.1977 8.699927 -9.727188      24.53679 
1 1 1 -9  9  33 o 260.7057 7.300405 2000.701       111.5116 2147.809       289.0240 1974.973       120.8702 267.4124 18.54387 258.9279 7.969060 8.484558       20.18368 
1 1 1 -9  9  34 o 83.50401 15.89042 214.3875       74.97806 420.0838       239.2785 191.9914       78.95440 114.2407 33.52829 78.64516 17.56238 35.59555       37.84948 
1 1 1 -9  9  35 o 229.8677 7.455025 1557.427       100.3697 1623.572       139.2681 1485.941       144.7809 234.1937 10.16391 223.8313 11.06338 10.36241       15.02343 
1 1 1 -9  9  36 o 280.7717 7.091654 2322.710       116.6820 2382.018       163.4449 2261.071       166.6275 283.7166 9.837704 276.2899 10.30131 7.426758       14.24420 
1 1 1 -9  9  37 o 188.5942 8.551208 1051.946       94.33546 1101.968       132.5757 1000.643       134.2612 192.3031 11.81212 183.0150 12.58536 9.288101       17.26028 
1 1 1 -9  9  38 o 254.9348 7.786903 1919.369       116.2880 2055.533       169.1624 1797.369       160.1219 262.9191 10.99489 245.7801 11.13739 17.13899       15.65021 
1 1 1 -9  9  39 o 97.33561 16.14440 293.3538       88.93280 193.6822       128.8634 383.9980       122.8892 78.43872 24.92349 110.4473 19.69415 -32.00861      31.76539 
1 1 1 -9  9  40 o 113.4304 14.61442 395.0586       94.96456 319.4597       150.9323 444.5976       122.1795 97.79032 25.90717 119.1205 18.05402 -21.33018      31.57735 
1 1 1 -9  9  41 o 99.09692 16.65514 309.1504       93.36632 252.3296       148.3027 346.4588       120.1707 86.50240 26.62815 103.3657 20.54701 -16.86331      33.63388 
1 1 1 -9  9  42 o 75.92022 19.20038 188.2123       85.53230 180.4169       123.2417 195.4562       118.8023 74.28784 24.43901 76.71276 23.87010 -2.424919      34.16207 
1 1 1 -9  9  43 o 67.27733 20.44295 147.7656       87.77489 223.3197       123.2812 70.08804       125.0016 81.00066 24.14217 58.28445 23.58211 22.71621       33.74848 
1 1 1 -9  9  44 o 43.17221 18.79409 -0.4580211     89.06489 -197.7445      121.2238 230.9582       131.2913 35.87840 17.52102 81.37019 25.05552 -45.49179      30.57393 
1 1 1 -9  9  45 o 85.18875 20.09350 244.3891       98.75103 287.4759       137.2026 198.0779       142.2439 89.80814 25.08779 75.72633 26.25203 14.08181       36.31206 
1 1 1 -9  9  46 o 45.28050 19.88987 -1.416550      101.7382 -61.10829      142.1476 61.27568       145.6764 47.64614 21.95688 58.57366 24.72930 -10.92751      33.07028 
1 1 1 -9  9  47 o 101.5804 19.10739 346.3876       109.6544 217.1390       155.3961 474.5728       154.7555 77.07544 27.38243 115.7307 23.60149 -38.65521      36.15007 
1 1 1 -9  9  48 o 95.27404 20.90858 315.1048       113.6149 401.3472       161.9736 231.5722       159.4086 103.0562 26.61437 78.44554 27.74683 24.61068       38.44751 
1 1 1 -9  9  49 o 108.7244 19.55998 403.4109       120.1375 295.6192       174.5891 500.3529       165.5695 85.68565 29.10444 116.4110 24.99809 -30.72537      38.36630 
1 1 1 -9  9  50 o 48.91515 21.90948 -4.734992      129.5781 -143.5405      203.5111 89.90418       168.0430 50.81884 24.28337 61.88791 26.36160 -11.06907      35.84154 
1 1 1 -9  10 1  o 583.6154 14.32833 10011.94       490.4253 11119.26       742.9943 9157.026       652.8493 613.9050 20.66585 557.1526 20.01217 56.75238       28.76742 
1 1 1 -9  10 2  o 1106.696 25.47292 36186.00       1653.322 36949.46       2376.035 35469.36       2302.022 1113.392 36.43675 1091.039 36.02587 22.35242       51.23963 
1 1 1 -9  10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 4  o 555.4941 13.71016 9067.341       446.6552 9138.109       632.5755 8996.978       630.7603 556.7464 19.40299 552.4105 19.49996 4.335938       27.50863 
1 1 1 -9  10 5  o 482.8073 10.30390 6843.167       291.7602 6588.530       476.8792 6995.502       368.8482 472.9521 17.22132 487.8260 12.90369 -14.87390      21.51927 
1 1 1 -9  10 6  o 532.1352 11.03781 8314.001       344.4731 8458.306       588.8984 8238.944       424.7127 535.7727 18.77071 529.3730 13.69139 6.399719       23.23346 
1 1 1 -9  10 7  o 619.8262 12.39081 11283.03       450.4225 11380.55       773.7426 11233.04       553.9622 621.2155 21.26888 618.2056 15.27906 3.009949       26.18807 
1 1 1 -9  10 8  o 577.0955 10.29578 9776.214       348.4637 9393.013       479.5897 10204.76       507.1704 565.1987 14.48024 589.2904 14.67486 -24.09167      20.61623 
1 1 1 -9  10 9  o 151.9345 8.083579 679.2631       71.77028 708.4131       97.43374 644.6849       106.1185 154.9666 10.78800 147.6473 12.36861 7.319336       16.41230 
1 1 1 -9  10 10 o 367.9344 7.950926 3972.255       171.5689 4179.672       249.3941 3785.893       236.3974 377.1285 11.28848 358.9104 11.24455 18.21808       15.93329 
1 1 1 -9  10 11 o 618.5376 10.87372 11232.68       394.4526 11241.31       559.7497 11224.16       555.9500 618.3923 15.43403 617.9297 15.34073 0.4626465      21.76114 
1 1 1 -9  10 12 o 234.7767 11.72874 1622.730       160.9828 1734.483       310.0595 1581.488       188.3605 241.5789 22.13004 231.5757 13.93348 10.00322       26.15111 
1 1 1 -9  10 13 o 1808.854 41.59703 97793.84       4412.823 91922.49       5923.721 105114.7       6614.634 1737.183 58.22542 1854.545 60.89861 -117.3615      84.25461 
1 1 1 -9  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 16 o 570.0759 11.69770 9547.233       391.0962 0.000000       0.000000 9547.233       391.0962 ?        ?        570.0759 11.69770 0.000000       11.69770 
1 1 1 -9  10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 18 o 734.2120 11.49076 15841.67       494.7900 15108.09       1058.448 16046.80       559.7106 713.6131 25.33061 738.7401 12.91878 -25.12701      28.43474 
1 1 1 -9  10 19 o 342.5609 7.024010 3444.290       141.1151 3093.039       360.3193 3507.925       153.3661 323.1142 19.09953 345.6853 7.564810 -22.57108      20.54309 
1 1 1 -9  10 20 o 143.0445 8.180490 602.8289       68.34177 676.9656       242.2335 596.4174       71.23568 148.1918 28.90993 142.2459 8.578880 5.945877       30.15594 
1 1 1 -9  10 21 o 712.5651 11.14639 14934.07       465.8106 14199.34       989.5386 15143.23       527.9656 690.4428 24.47609 717.2486 12.55121 -26.80579      27.50658 
1 1 1 -9  10 22 o 176.8937 7.054947 920.3132       73.04401 641.7291       214.1895 956.9759       77.70192 144.4314 26.25310 180.3650 7.361097 -35.93361      27.26557 
1 1 1 -9  10 23 o 234.3239 7.392741 1614.513       101.4679 1986.799       268.7794 1552.638       109.5761 258.3861 17.84648 229.7172 8.146293 28.66893       19.61782 
1 1 1 -9  10 24 o 76.21039 13.69540 176.6067       58.96249 318.1461       216.3725 165.2530       61.28173 102.5228 32.26026 73.49928 14.73020 29.02350       35.46411 
1 1 1 -9  10 25 o 508.7775 8.485128 7612.505       253.1843 7517.705       574.5884 7635.346       282.0411 502.1353 19.54862 509.3658 9.441307 -7.230560      21.70914 
1 1 1 -9  10 26 o 72.28664 18.66647 161.3922       79.68229 0.000000       0.000000 161.3922       79.68229 ?        ?        72.28664 18.66647 0.000000       18.66647 
1 1 1 -9  10 27 o 316.1494 8.689434 2943.857       160.9616 0.000000       0.000000 2943.857       160.9616 ?        ?        316.1494 8.689434 0.000000       8.689434 
1 1 1 -9  10 28 f 438.3490 7.621449 5651.328       195.9332 7083.873       526.6274 5421.171       211.0868 486.9330 18.47448 429.1960 8.386001 57.73691       20.28870 
1 1 1 -9  10 29 o 255.8680 6.915541 1925.978       103.6798 2213.969       284.9229 1882.024       111.3110 271.9265 17.96659 252.8556 7.514448 19.07094       19.47474 
1 1 1 -9  10 30 o 628.5428 11.09094 11658.68       408.8404 0.000000       0.000000 11658.68       408.8404 ?        ?        628.5428 11.09094 0.000000       11.09094 
1 1 1 -9  10 31 o 300.3434 7.312104 2652.483       128.7986 3132.892       360.4237 2582.154       137.9045 323.3038 19.09370 296.1557 7.946948 27.14810       20.68147 
1 1 1 -9  10 32 o 230.5567 7.853942 1565.742       106.0429 1720.326       291.7008 1542.202       113.8311 238.5051 21.07049 228.7272 8.500581 9.777878       22.72059 
1 1 1 -9  10 33 o 38.02068 16.78799 -21.13938      73.36372 -174.9189      243.4675 -5.781929      76.93986 61.77624 28.56345 40.94650 17.64658 20.82973       33.57488 
1 1 1 -9  10 34 o 234.5704 10.32653 1628.061       141.7139 0.000000       0.000000 1628.061       141.7139 ?        ?        234.5704 10.32653 0.000000       10.32653 
1 1 1 -9  10 35 o 331.3125 8.688250 3239.721       168.6730 3740.148       387.9509 3123.074       187.3027 351.8782 18.86795 324.9925 9.838309 26.88571       21.27891 
1 1 1 -9  10 36 o 118.9118 11.71424 423.3706       80.63428 397.8861       112.5005 450.2936       115.6322 113.8299 17.40380 121.4449 16.67464 -7.614944      24.10261 
1 1 1 -9  10 37 o 67.38233 19.32314 141.2013       80.31643 191.0441       109.9652 84.21013       117.5866 77.96006 22.68729 61.20588 23.43649 16.75418       32.61874 
1 1 1 -9  10 38 o 213.5577 10.60397 1356.666       132.3957 1762.112       296.5313 1255.719       147.9623 238.5271 21.42542 204.9096 12.36988 33.61748       24.73990 
1 1 1 -9  10 39 o 122.0793 12.81620 450.7976       90.39315 533.7776       139.3958 390.5838       118.7438 130.8789 18.69083 111.5776 18.81463 19.30132       26.52051 
1 1 1 -9  10 40 o 154.6279 10.56946 716.6480       95.27348 500.0709       144.1357 884.6995       126.9657 125.2766 20.31289 171.0728 12.74640 -45.79623      23.98091 
1 1 1 -9  10 41 o 91.18098 16.35084 262.4714       84.22472 385.8906       125.6339 161.7231       113.5101 109.1808 20.36958 71.17337 23.45620 38.00739       31.06627 
1 1 1 -9  10 42 o 161.2693 10.13062 781.7513       95.33199 904.9912       135.2481 660.0602       134.3956 171.9726 13.51837 145.4718 16.01749 26.50078       20.95964 
1 1 1 -9  10 43 o 90.21966 17.70780 263.0814       90.34811 350.3181       126.7013 172.8337       128.8693 102.3130 21.78394 72.67075 24.99669 29.64222       33.15682 
1 1 1 -9  10 44 o 40.57742 18.26415 -28.72290      91.27551 -68.05577      127.3229 12.86267       130.9182 44.89983 20.72321 52.39589 22.79800 -7.496056      30.80909 
1 1 1 -9  10 45 o 84.38476 19.79427 239.6482       96.25859 265.8553       133.9234 211.6396       138.4498 86.27661 25.01656 77.52845 25.91667 8.748161       36.02086 
1 1 1 -9  10 46 o 68.25951 21.84886 159.0299       98.88605 100.1216       136.5134 224.0635       143.4352 61.68782 24.75470 78.66054 26.38043 -16.97272      36.17627 
1 1 1 -9  10 47 o 180.6398 11.27962 1001.246       118.9011 1059.473       170.3026 945.8699       166.0800 181.7280 16.14690 171.0844 16.76732 10.64362       23.27800 
1 1 1 -9  10 48 o 57.78003 22.61815 94.37072       111.3411 165.1545       164.4347 34.44032       151.3039 70.13902 27.47783 55.83026 24.39670 14.30875       36.74548 
1 1 1 -9  10 49 o 127.8799 17.23921 539.3707       126.0014 667.1252       184.5815 427.8900       172.4247 135.8512 24.04706 104.5787 27.68329 31.27256       36.66914 
1 1 1 -9  10 50 o 110.5944 20.86215 428.0609       130.3537 452.0611       193.0203 407.9366       176.7484 104.2895 29.97079 100.3332 28.63073 3.956284       41.44837 
1 1 1 -9  11 1  o 693.6224 16.53291 14147.92       672.5473 14003.50       940.9733 14298.74       961.6135 688.7241 23.32969 695.9011 23.59560 -7.177063      33.18172 
1 1 1 -9  11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 3  o 1168.767 26.81350 40350.74       1837.942 40230.97       2591.689 40471.91       2606.862 1162.142 38.07677 1165.567 38.18711 -3.425537      53.92677 
1 1 1 -9  11 4  o 1933.147 64.11887 114222.4       7259.387 0.000000       0.000000 114222.4       7259.387 ?        ?        1933.147 64.11887 0.000000       64.11887 
1 1 1 -9  11 5  o 751.6269 14.60410 16601.20       643.7655 16299.61       1087.310 16763.98       798.8301 742.8514 24.99308 754.8851 18.04359 -12.03375      30.82573 
1 1 1 -9  11 6  o 412.7113 9.409755 4999.103       227.7588 4956.876       371.1815 5024.602       288.4435 410.3727 15.45018 413.4835 11.90706 -3.110840      19.50606 
1 1 1 -9  11 7  o 864.7090 16.52210 21984.87       837.8875 21538.81       1419.280 22223.51       1038.095 853.2021 28.40346 868.7845 20.37392 -15.58234      34.95502 
1 1 1 -9  11 8  o 77.47232 12.63443 180.8321       55.42881 199.6096       73.60984 156.2414       84.23688 80.98886 16.06486 71.70564 19.51390 9.283226       25.27591 
1 1 1 -9  11 9  o 412.5310 8.533272 4994.062       206.4537 4937.252       291.1708 5051.500       292.7751 409.8455 12.12705 414.5701 12.05444 -4.724640      17.09897 
1 1 1 -9  11 10 o 810.2711 13.59026 19289.26       645.8157 19413.01       918.6898 19168.37       908.0459 812.0756 19.28954 806.9592 19.18694 5.116455       27.20708 
1 1 1 -9  11 11 o 712.9132 12.25647 14927.77       512.4511 14982.22       730.0508 14874.88       719.4951 713.6224 17.44352 711.0866 17.25261 2.535767       24.53424 
1 1 1 -9  11 12 o 468.7905 8.381896 6449.380       230.4473 6131.261       566.8553 6512.366       252.2313 455.6252 21.27230 471.0397 9.130424 -15.41446      23.14898 
1 1 1 -9  11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 14 o 364.5086 9.301784 3902.842       198.6870 0.000000       0.000000 3902.842       198.6870 ?        ?        364.5086 9.301784 0.000000       9.301784 
1 1 1 -9  11 15 o 861.5251 16.75816 21845.45       846.7300 0.000000       0.000000 21845.45       846.7300 ?        ?        861.5251 16.75816 0.000000       16.75816 
1 1 1 -9  11 16 o 616.2397 12.65727 11160.97       457.4465 0.000000       0.000000 11160.97       457.4465 ?        ?        616.2397 12.65727 0.000000       12.65727 
1 1 1 -9  11 17 o 224.9819 7.526972 1487.268       99.17600 0.000000       0.000000 1487.268       99.17600 ?        ?        224.9819 7.526972 0.000000       7.526972 
1 1 1 -9  11 18 o 517.0589 8.679294 7850.390       263.1934 8096.962       629.1375 7798.084       289.7678 523.0880 20.54783 515.2562 9.589067 7.831726       22.67517 
1 1 1 -9  11 19 o 377.3969 9.386703 4184.092       207.7600 4678.731       435.1391 4038.036       236.4522 397.5861 18.71401 370.4766 10.89442 27.10950       21.65416 
1 1 1 -9  11 20 o 238.3837 6.845100 1669.561       95.59980 1608.855       297.8842 1676.531       100.9392 231.8941 22.17290 238.8561 7.213912 -6.962006      23.31690 
1 1 1 -9  11 21 o 255.6874 6.541168 1920.496       98.00729 1848.213       274.8976 1931.022       104.9007 249.1732 18.95350 256.3557 6.983764 -7.182465      20.19921 
1 1 1 -9  11 22 o 350.4024 7.830403 3607.111       160.9169 3722.067       363.9563 3579.180       179.4046 354.1974 17.57567 348.8509 8.775829 5.346466       19.64483 
1 1 1 -9  11 23 o 67.49456 15.48359 140.0179       59.98518 309.9539       224.2127 126.9169       62.25451 101.9726 32.92439 64.27490 16.44850 37.69774       36.80447 
1 1 1 -9  11 24 o 274.8520 6.573308 2218.893       105.9579 2007.834       286.6819 2252.286       114.0325 259.2211 18.98904 276.7909 7.030368 -17.56979      20.24870 
1 1 1 -9  11 25 o 295.1880 6.680359 2559.961       115.6509 2381.236       297.1952 2591.855       125.5468 282.4862 18.03299 296.9755 7.208325 -14.48929      19.42032 
1 1 1 -9  11 26 o 407.7152 11.82816 4910.352       282.5305 4862.223       424.9781 4948.473       378.2148 403.7842 17.99114 408.1234 15.83146 -4.339172      23.96490 
1 1 1 -9  11 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 28 o 334.1817 7.708323 3284.897       151.0752 0.000000       0.000000 3284.897       151.0752 ?        ?        334.1817 7.708323 0.000000       7.708323 
1 1 1 -9  11 29 o 541.0713 13.70901 8674.129       434.6716 0.000000       0.000000 8674.129       434.6716 ?        ?        541.0713 13.70901 0.000000       13.70901 
1 1 1 -9  11 30 o 316.2403 7.193485 2940.440       133.4157 2791.862       344.0740 2966.732       144.7397 305.0561 19.33130 317.5804 7.771116 -12.52426      20.83481 
1 1 1 -9  11 31 o 272.4364 7.487617 2184.489       119.5218 2312.273       329.3848 2165.112       128.2641 277.0974 20.41171 271.1432 8.074950 5.954193       21.95092 
1 1 1 -9  11 32 o 212.8747 7.913409 1335.308       98.62379 1248.027       294.9803 1346.292       104.6459 201.2229 25.57253 213.6889 8.366229 -12.46605      26.90628 
1 1 1 -9  11 33 o 74.44247 21.77639 170.6818       101.0805 43.47847       265.0172 192.3369       109.3465 78.60765 33.27902 78.74395 22.53536 -0.1362991     40.19123 
1 1 1 -9  11 34 o 117.5523 11.96958 413.4089       81.37038 241.6254       267.5156 430.9226       85.41767 95.31566 35.60563 119.9731 12.31447 -24.65739      37.67502 
1 1 1 -9  11 35 o 284.6410 7.495673 2388.124       125.0203 2411.656       338.6714 2384.411       134.5215 281.3376 20.67010 284.3019 8.076101 -2.964355      22.19181 
1 1 1 -9  11 36 o 176.9105 8.194592 925.0860       84.79105 940.1165       112.8860 905.6285       128.4392 177.8132 10.87699 174.0800 12.66719 3.733200       16.69630 
1 1 1 -9  11 37 f 39.17281 17.37576 -24.10897      79.46724 -26.21978      110.2823 -21.82925      114.6099 46.57952 20.57442 47.97355 21.09044 -1.394020      29.46377 
1 1 1 -9  11 38 o 66.88259 20.10602 139.1479       85.22854 104.2425       123.1069 171.2778       118.1110 64.42128 24.13565 74.40228 23.88484 -9.981003      33.95608 
1 1 1 -9  11 39 o 79.13543 17.69474 198.5109       80.05975 112.8553       115.6733 277.2709       110.9195 64.35209 23.52431 92.82373 20.88199 -28.47164      31.45553 
1 1 1 -9  11 40 o 72.78188 18.81307 170.5675       80.88440 174.2821       117.3909 167.2101       111.6040 73.77452 23.82377 72.35640 23.21655 1.418121       33.26530 
1 1 1 -9  11 41 o 68.03542 20.02269 149.7070       85.23505 92.61688       121.3850 205.2357       119.7135 61.19760 23.71225 78.58822 23.87311 -17.39062      33.64812 
1 1 1 -9  11 42 o 137.4224 11.57135 573.1910       92.39369 649.5186       129.4218 493.8600       131.9435 144.4743 15.51740 124.1726 18.69757 20.30170       24.29792 
1 1 1 -9  11 43 o 112.1478 14.78907 393.5952       94.90228 474.1455       130.4386 302.9993       138.3332 120.9515 19.01526 93.25761 24.84655 27.69386       31.28787 
1 1 1 -9  11 44 o 235.2737 8.118289 1653.678       111.8503 1496.136       152.0949 1839.222       165.0598 221.5448 11.74783 245.9028 11.47696 -24.35796      16.42353 
1 1 1 -9  11 45 o 123.2567 13.41382 473.3069       95.40231 587.5685       137.6140 367.5764       132.3769 134.6086 17.87293 103.1443 22.51668 31.46429       28.74791 
1 1 1 -9  11 46 o 142.0475 12.46271 624.9144       102.7729 569.2464       141.5442 686.9867       149.4646 131.1517 18.95098 145.0416 17.95395 -13.88985      26.10524 
1 1 1 -9  11 47 o 72.65823 22.62061 186.6449       106.6747 143.7470       153.8697 226.3441       148.0218 67.48569 26.53780 78.09457 26.79242 -10.60889      37.71059 
1 1 1 -9  11 48 o 88.81095 22.24841 281.8559       115.6265 89.46191       185.6935 403.6890       147.7691 63.92716 27.48101 104.9375 24.46370 -41.01030      36.79237 
1 1 1 -9  11 49 o 69.22771 24.84277 171.1318       128.2302 408.8923       196.7682 -4.380585      169.0592 98.69431 30.72144 54.53419 24.67241 44.16013       39.40221 
1 1 1 -9  12 1  o 820.9384 19.21353 19833.83       925.0566 20082.75       1318.631 19592.61       1298.067 824.1188 27.32018 814.0117 27.22874 10.10712       38.57196 
1 1 1 -9  12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 3  f 664.6025 15.92133 12984.38       620.5714 12555.57       853.4022 13465.56       904.0250 652.3784 22.33803 675.5394 22.85098 -23.16095      31.95551 
1 1 1 -9  12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 5  o 811.4056 15.64657 19352.66       744.5739 19488.63       1283.528 19283.70       914.0974 811.8885 26.99371 809.4589 19.25516 2.429626       33.15752 
1 1 1 -9  12 6  o 1157.876 21.70609 39497.85       1473.989 38206.96       2477.109 40205.48       1834.020 1133.054 37.32822 1166.777 26.80191 -33.72290      45.95365 
1 1 1 -9  12 7  o 359.4611 8.900373 3792.021       187.6336 3732.196       296.5740 3831.948       242.2888 356.1112 14.22893 361.0732 11.45612 -4.961945      18.26760 
1 1 1 -9  12 8  o 479.8535 10.39871 6759.601       292.6433 6673.000       481.1331 6810.452       368.6822 475.9954 17.26362 481.3233 13.07275 -5.327942      21.65478 
1 1 1 -9  12 9  o 345.5386 18.67556 3524.200       377.0542 0.000000       0.000000 3524.200       377.0542 ?        ?        345.5386 18.67556 0.000000       18.67556 
1 1 1 -9  12 10 o 813.2217 12.37303 19425.01       590.1134 20647.49       1404.882 19163.11       650.2603 834.8960 28.73457 807.5657 13.72963 27.33032       31.84617 
1 1 1 -9  12 11 o 205.8843 8.227048 1245.914       99.13850 850.5976       398.9764 1271.929       102.3485 165.5389 41.24721 208.0153 8.406812 -42.47643      42.09521 
1 1 1 -9  12 12 o 684.9870 17.70932 13818.71       710.8375 12971.14       987.6582 14729.57       1023.871 662.0901 25.48300 705.7734 24.77443 -43.68323      35.54090 
1 1 1 -9  12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 14 o 738.5259 14.47864 16037.96       627.1106 0.000000       0.000000 16037.96       627.1106 ?        ?        738.5259 14.47864 0.000000       14.47864 
1 1 1 -9  12 15 o 764.5319 15.02506 17194.39       673.6934 0.000000       0.000000 17194.39       673.6934 ?        ?        764.5319 15.02506 0.000000       15.02506 
1 1 1 -9  12 16 o 426.8005 9.703105 5349.413       242.8769 0.000000       0.000000 5349.413       242.8769 ?        ?        426.8005 9.703105 0.000000       9.703105 
1 1 1 -9  12 17 o 264.7465 7.340416 2058.857       113.8629 0.000000       0.000000 2058.857       113.8629 ?        ?        264.7465 7.340416 0.000000       7.340416 
1 1 1 -9  12 18 o 314.6113 11.97327 2914.949       220.5182 3280.946       368.4921 2710.748       275.2444 332.7766 18.95945 302.9209 15.54510 29.85565       24.51756 
1 1 1 -9  12 19 o 448.0613 7.789844 5895.044       204.6995 5951.092       500.1931 5883.770       224.3463 448.2698 19.06957 447.5704 8.546867 0.6994019      20.89731 
1 1 1 -9  12 20 o 190.9412 7.315927 1072.120       81.77401 903.7560       269.4682 1089.197       85.82109 171.8549 27.67562 192.4354 7.619350 -20.58041      28.70530 
1 1 1 -9  12 21 o 429.5533 7.644283 5419.866       192.5770 5080.900       460.4115 5491.743       212.0139 413.6698 19.02859 432.3205 8.361960 -18.65067      20.78484 
1 1 1 -9  12 22 o 422.7495 7.513630 5250.400       186.2874 5386.084       469.9473 5225.105       202.9102 425.6852 18.87082 421.6546 8.205339 4.030609       20.57755 
1 1 1 -9  12 23 o 428.7638 7.625208 5402.387       191.7434 5038.662       441.8538 5486.773       212.8269 411.5836 18.35116 432.0009 8.400231 -20.41733      20.18239 
1 1 1 -9  12 24 o 319.5274 6.838966 2999.567       128.1590 3004.714       351.9109 2998.780       137.6088 317.2497 19.00097 319.4391 7.345267 -2.189392      20.37130 
1 1 1 -9  12 25 o 129.3967 8.778604 494.9071       66.22475 326.5773       236.0646 509.2865       68.99538 103.9954 33.79988 131.2431 9.018640 -27.24778      34.98239 
1 1 1 -9  12 26 o 293.7205 10.80456 2547.537       185.8024 3089.317       335.1917 2307.227       223.2381 321.6315 17.83976 278.9082 13.68943 42.72330       22.48683 
1 1 1 -9  12 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 28 o 303.2026 11.18886 2717.037       198.6204 3304.716       372.3311 2483.281       234.8227 331.9979 19.20441 289.2307 13.88403 42.76724       23.69759 
1 1 1 -9  12 29 o 278.7904 9.609358 2292.765       156.8820 0.000000       0.000000 2292.765       156.8820 ?        ?        278.7904 9.609358 0.000000       9.609358 
1 1 1 -9  12 30 o 318.0941 7.431177 2975.545       138.6321 3225.673       391.8479 2939.758       148.2181 327.5361 20.50178 316.0034 8.004030 11.53265       22.00880 
1 1 1 -9  12 31 o 73.52445 18.68775 167.6248       80.74070 0.000000       0.000000 167.6248       80.74070 ?        ?        73.52445 18.68775 0.000000       18.68775 
1 1 1 -9  12 32 o 608.3392 9.739945 10912.43       347.4984 11591.65       842.5768 10773.22       381.4505 618.5889 23.26653 604.0755 10.76704 14.51337       25.63710 
1 1 1 -9  12 33 o 274.8094 7.478462 2224.237       120.4177 2345.131       348.2873 2207.824       128.3321 277.8691 21.54018 273.7061 8.003258 4.162994       22.97893 
1 1 1 -9  12 34 o 113.0618 11.90229 382.8727       77.73928 736.3013       287.9230 355.0818       80.73786 149.6787 33.62271 108.6255 12.92672 41.05316       36.02204 
1 1 1 -9  12 35 o 220.1177 8.110650 1430.464       104.5245 1524.932       313.7254 1418.668       110.8582 221.4064 24.57406 219.1065 8.644007 2.299881       26.05002 
1 1 1 -9  12 36 o 244.4952 8.001678 1764.910       114.5820 1234.867       296.5548 1857.925       124.2296 197.7755 26.21186 250.7625 8.459297 -52.98697      27.54308 
1 1 1 -9  12 37 o 145.2849 10.77308 629.6359       91.14016 516.1106       129.4392 741.2603       128.3510 129.5980 17.47500 156.8039 14.10766 -27.20584      22.45889 
1 1 1 -9  12 38 o 95.42851 15.47391 281.0767       83.63875 314.7552       118.1082 247.1981       118.4587 99.35554 20.93106 87.50502 22.84199 11.85052       30.98170 
1 1 1 -9  12 39 o 44.39951 18.36600 22.08314       77.93691 -41.17107      110.9444 83.71072       109.5086 44.79858 20.15249 59.09392 22.61979 -14.29534      30.29485 
1 1 1 -9  12 40 o 52.04459 19.76243 65.74011       83.16425 102.8221       124.5404 35.89721       111.7246 63.21687 24.14100 52.72315 21.91521 10.49372       32.60467 
1 1 1 -9  12 41 o 92.15553 16.79920 269.9343       87.45047 422.3084       125.1515 124.5511       122.2469 114.5683 19.31207 65.62780 24.15167 48.94049       30.92344 
1 1 1 -9  12 42 o 76.23843 19.71280 191.6574       88.78690 241.1091       125.8536 142.6587       125.2757 84.01956 24.21787 68.15006 24.54255 15.86950       34.47959 
1 1 1 -9  12 43 o 99.84248 16.34066 318.1780       92.37625 215.1393       127.5420 431.8728       133.9748 78.94101 24.75811 114.0735 20.79152 -35.13245      32.33035 
1 1 1 -9  12 44 o 112.0573 14.48400 394.4933       92.96294 339.9028       131.6999 448.7033       131.2402 99.07718 23.09373 116.4015 19.94163 -17.32435      30.51211 
1 1 1 -9  12 45 o 44.07746 19.14004 5.239014       91.89139 65.00331       131.6019 -51.62289      128.3666 57.32351 23.80257 45.95013 21.06117 11.37339       31.78263 
1 1 1 -9  12 46 o 37.60859 17.67419 -80.36304      99.49112 -32.50879      145.7226 -122.1467      136.1664 50.05544 22.74915 42.40490 20.15015 7.650547       30.39000 
1 1 1 -9  12 47 o 159.9287 12.33814 793.4657       114.8307 672.8506       164.3538 908.4979       160.5050 140.7294 20.51672 167.6632 16.53813 -26.93379      26.35233 
1 1 1 -9  12 48 o 71.34013 23.58274 183.2920       114.7092 70.29018       173.1240 271.7258       153.1523 61.00151 26.38079 83.64945 27.22730 -22.64794      37.91137 
1 1 1 -9  12 49 o 51.06314 22.36328 21.40492       127.7569 41.68394       189.5766 4.532675       172.9210 60.05979 26.72755 55.58076 25.06726 4.479027       36.64327 
1 1 1 -9  13 1  f 561.2907 13.81895 9255.795       454.8973 9283.594       641.5228 9227.681       645.1362 561.2729 19.51861 559.5539 19.68958 1.719055       27.72464 
1 1 1 -9  13 2  o 681.6546 16.31412 13661.31       652.1967 14923.70       981.0281 12661.47       873.0726 711.0569 23.55736 655.0333 22.76129 56.02362       32.75707 
1 1 1 -9  13 3  o 928.3877 21.54129 25391.06       1172.875 26259.21       1701.231 24604.62       1619.198 941.3620 30.85627 911.3493 30.33684 30.01270       43.27162 
1 1 1 -9  13 4  o 428.0879 11.34455 5384.564       284.5690 6022.619       427.4765 4876.791       381.3453 452.3156 16.14050 406.9736 16.00846 45.34195       22.73294 
1 1 1 -9  13 5  o 946.6354 17.99965 26364.21       999.3033 26326.88       1715.754 26383.38       1229.333 942.4051 31.08576 946.1799 22.15366 -3.774780      38.17210 
1 1 1 -9  13 6  f 135.7967 9.022729 543.5903       71.45087 512.6030       96.57943 581.0568       106.1976 131.4989 12.68017 140.0362 13.08214 -8.537338      18.21892 
1 1 1 -9  13 7  o 1040.185 24.17458 31923.39       1474.756 0.000000       0.000000 31923.39       1474.756 ?        ?        1040.185 24.17458 0.000000       24.17458 
1 1 1 -9  13 8  o 643.0383 11.60549 12142.97       437.6739 0.000000       0.000000 12142.97       437.6739 ?        ?        643.0383 11.60549 0.000000       11.60549 
1 1 1 -9  13 9  o 139.6903 10.03991 575.7935       81.70344 0.000000       0.000000 575.7935       81.70344 ?        ?        139.6903 10.03991 0.000000       10.03991 
1 1 1 -9  13 10 o 552.3033 10.40087 8955.973       336.8976 0.000000       0.000000 8955.973       336.8976 ?        ?        552.3033 10.40087 0.000000       10.40087 
1 1 1 -9  13 11 o 717.0692 12.63484 15106.71       531.3509 0.000000       0.000000 15106.71       531.3509 ?        ?        717.0692 12.63484 0.000000       12.63484 
1 1 1 -9  13 12 o 761.7957 11.75586 17047.08       525.2228 16139.47       1157.485 17282.41       589.3943 738.0946 26.78389 766.8749 13.10482 -28.78027      29.81800 
1 1 1 -9  13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 16 o 653.3058 13.18462 12553.77       505.1665 0.000000       0.000000 12553.77       505.1665 ?        ?        653.3058 13.18462 0.000000       13.18462 
1 1 1 -9  13 17 o 418.7229 9.656378 5150.750       237.1327 0.000000       0.000000 5150.750       237.1327 ?        ?        418.7229 9.656378 0.000000       9.656378 
1 1 1 -9  13 18 o 252.8909 9.959417 1882.365       147.4238 0.000000       0.000000 1882.365       147.4238 ?        ?        252.8909 9.959417 0.000000       9.959417 
1 1 1 -9  13 19 o 105.3963 10.70301 329.9962       65.24139 739.6303       281.5405 306.7511       67.06695 154.1422 32.18423 101.4739 11.47032 52.66835       34.16713 
1 1 1 -9  13 20 o 281.2930 6.626795 2323.130       109.3234 2437.813       348.9546 2310.649       115.1187 285.8337 20.96214 280.5165 6.997401 5.317230       22.09921 
1 1 1 -9  13 21 o 343.7115 6.950640 3469.556       140.1101 3330.286       373.1175 3492.418       151.1733 334.5449 19.09627 344.8007 7.475780 -10.25580      20.50743 
1 1 1 -9  13 22 o 219.0722 7.047630 1411.270       90.43059 1163.660       304.6959 1435.188       94.69737 194.8653 27.41851 220.8985 7.319726 -26.03314      28.37875 
1 1 1 -9  13 23 o 341.5827 6.932263 3427.914       138.8741 3721.066       398.1885 3387.318       148.1782 353.1504 19.29888 339.5053 7.441959 13.64514       20.68404 
1 1 1 -9  13 24 o 160.5579 7.825797 759.7026       73.46841 513.0739       260.9866 780.9284       76.56465 126.9277 34.26644 162.7679 8.045573 -35.84026      35.19830 
1 1 1 -9  13 25 o 214.2736 11.63214 1358.869       145.6288 1143.473       285.8997 1434.336       169.2280 192.8737 25.93134 219.8773 13.18380 -27.00365      29.09033 
1 1 1 -9  13 26 o 419.5141 12.29101 5204.094       302.0760 6239.958       520.3800 4677.640       370.9792 456.5944 19.47774 396.5606 15.98381 60.03378       25.19651 
1 1 1 -9  13 27 o 235.1589 9.402455 1631.597       129.4126 0.000000       0.000000 1631.597       129.4126 ?        ?        235.1589 9.402455 0.000000       9.402455 
1 1 1 -9  13 28 o 221.0336 9.968906 1442.927       128.8953 0.000000       0.000000 1442.927       128.8953 ?        ?        221.0336 9.968906 0.000000       9.968906 
1 1 1 -9  13 29 o 296.2315 7.602931 2582.610       131.9786 2654.138       384.1089 2573.035       140.5348 296.3158 22.26574 295.6071 8.113895 0.7087402      23.69807 
1 1 1 -9  13 30 o 201.1723 10.77189 1197.302       126.6264 1142.926       353.1764 1205.323       135.6447 189.8327 32.91515 201.7209 11.51353 -11.88817      34.87074 
1 1 1 -9  13 31 o 536.7598 9.211259 8488.436       289.9676 8123.259       654.5446 8577.603       323.4374 519.2482 21.54061 539.2767 10.22653 -20.02856      23.84491 
1 1 1 -9  13 32 o 255.6780 7.544619 1925.340       113.0072 2427.523       371.9071 1874.257       118.6156 282.4587 22.64009 252.1870 8.030131 30.27165       24.02200 
1 1 1 -9  13 33 o 209.2311 8.076510 1291.432       98.92003 1241.842       312.4385 1296.956       104.2848 199.0643 27.49561 209.6116 8.500741 -10.54736      28.77970 
1 1 1 -9  13 34 o 94.87498 15.09375 274.9313       81.17403 83.21407       314.0133 288.6602       84.03022 86.23639 36.35226 97.23081 15.23615 -10.99442      39.41608 
1 1 1 -9  13 35 o 253.3427 7.778571 1893.661       115.4367 2213.882       358.9633 1856.725       121.9126 267.8255 23.07810 250.7508 8.301465 17.07463       24.52576 
1 1 1 -9  13 36 o 137.8271 10.80937 566.5269       86.67614 731.1621       316.8721 553.2123       90.11291 146.0947 36.96081 136.0607 11.39750 10.03407       38.67822 
1 1 1 -9  13 37 o 97.59170 14.50844 291.4347       80.51707 310.6050       110.4370 269.6819       117.6407 99.28042 19.66281 91.74783 22.12245 7.532593       29.59779 
1 1 1 -9  13 38 o 94.25550 15.34625 274.7886       81.91617 219.0974       118.0984 326.4264       113.7195 82.29308 23.37710 101.3892 19.83535 -19.09608      30.65828 
1 1 1 -9  13 39 o 61.41911 19.61723 116.6552       79.74998 164.2571       110.9782 65.82490       114.6798 71.96218 23.15726 57.21428 22.77954 14.74791       32.48331 
1 1 1 -9  13 40 o 177.9239 9.308697 945.7599       96.79666 946.9497       138.6169 944.6277       135.2283 176.2583 13.51265 176.2017 13.18153 0.5662537E-01  18.87708 
1 1 1 -9  13 41 o 149.6873 10.83624 676.3329       94.48527 586.7162       129.2393 779.2291       138.4839 136.8465 16.43137 158.6985 15.05929 -21.85201      22.28839 
1 1 1 -9  13 42 f 47.79138 19.68067 34.56058       88.95744 19.66638       125.1916 49.75020       126.4271 52.55199 22.57730 55.98261 23.29486 -3.430618      32.44048 
1 1 1 -9  13 43 o 40.09063 18.03400 -27.88610      88.83599 17.26421       126.2297 -72.19281      125.0448 52.06565 22.52134 44.15131 20.43390 7.914341       30.40978 
1 1 1 -9  13 44 o 80.81056 19.42888 219.1399       90.94173 219.8706       131.7212 218.4744       125.7113 78.90144 25.21272 78.80373 24.55966 0.9770966E-01  35.19742 
1 1 1 -9  13 45 o 58.54946 21.47793 104.1091       96.55328 164.0822       143.7036 54.75438       130.3630 70.26235 26.12572 55.87572 23.48055 14.38663       35.12677 
1 1 1 -9  13 46 o 66.95474 22.39153 153.7727       103.3463 103.8973       151.1262 197.5843       141.6418 62.96912 25.76037 74.19345 26.16279 -11.22433      36.71632 
1 1 1 -9  13 47 o 105.8917 18.53065 375.4119       110.8912 303.1162       158.3710 444.9498       155.3211 88.51716 27.56268 110.5290 24.59487 -22.01189      36.94062 
1 1 1 -9  13 48 o 79.62851 23.34430 232.1826       116.0506 16.54871       173.0149 408.5478       156.4701 56.61026 25.33941 104.0267 25.77894 -47.41645      36.14746 
1 1 1 -9  13 49 o 223.9458 10.43600 1536.427       136.6883 1350.482       188.9369 1740.627       197.9939 204.2622 15.89677 233.8153 14.51022 -29.55304      21.52332 
1 1 1 -9  14 1  o 576.7534 14.19764 9774.668       480.2384 10654.48       716.8680 9058.353       646.8374 601.1525 20.36251 554.3075 19.92972 46.84503       28.49256 
1 1 1 -9  14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14 3  o 658.6874 15.82838 12755.95       611.4576 12472.16       847.3329 13064.32       883.2482 650.1170 22.25630 665.3110 22.66952 -15.19403      31.76870 
1 1 1 -9  14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14 5  o 766.6337 13.37658 17267.39       601.4277 0.000000       0.000000 17267.39       601.4277 ?        ?        766.6337 13.37658 0.000000       13.37658 
1 1 1 -9  14 6  o 232.5619 7.604749 1588.671       103.5833 0.000000       0.000000 1588.671       103.5833 ?        ?        232.5619 7.604749 0.000000       7.604749 
1 1 1 -9  14 7  o 630.6140 11.34202 11677.97       419.4736 0.000000       0.000000 11677.97       419.4736 ?        ?        630.6140 11.34202 0.000000       11.34202 
1 1 1 -9  14 8  o 198.0043 8.408768 1152.656       97.42439 0.000000       0.000000 1152.656       97.42439 ?        ?        198.0043 8.408768 0.000000       8.408768 
1 1 1 -9  14 9  o 494.8344 9.518516 7187.929       276.2356 0.000000       0.000000 7187.929       276.2356 ?        ?        494.8344 9.518516 0.000000       9.518516 
1 1 1 -9  14 10 o 674.3806 12.19943 13360.50       482.4974 0.000000       0.000000 13360.50       482.4974 ?        ?        674.3806 12.19943 0.000000       12.19943 
1 1 1 -9  14 11 o 791.6098 13.48706 18418.61       626.1508 0.000000       0.000000 18418.61       626.1508 ?        ?        791.6098 13.48706 0.000000       13.48706 
1 1 1 -9  14 12 o 173.8716 8.599223 889.5479       87.41556 977.2009       357.5193 883.9745       90.15186 178.0235 35.48890 173.3035 8.899669 4.720047       36.58779 
1 1 1 -9  14 13 o 519.0821 8.825287 7910.048       268.6677 8149.087       670.7614 7864.370       293.2161 524.9196 21.83606 517.5237 9.660666 7.395874       23.87764 
1 1 1 -9  14 14 o 469.7267 10.16085 6480.685       279.9148 0.000000       0.000000 6480.685       279.9148 ?        ?        469.7267 10.16085 0.000000       10.16085 
1 1 1 -9  14 15 o 235.1314 7.301492 1624.307       100.5648 1913.549       348.0103 1597.953       105.0463 253.1215 23.71927 233.1898 7.691577 19.93172       24.93520 
1 1 1 -9  14 16 o 307.8786 8.566134 2785.748       154.5228 0.000000       0.000000 2785.748       154.5228 ?        ?        307.8786 8.566134 0.000000       8.566134 
1 1 1 -9  14 17 o 311.5950 8.361534 2853.503       152.6632 3369.628       387.3361 2758.581       166.1094 336.9959 19.68374 306.2863 9.257953 30.70959       21.75223 
1 1 1 -9  14 18 o 181.0658 7.724155 964.5206       81.83496 1135.397       278.4259 948.3630       85.61665 193.7526 25.09121 179.5062 8.153869 14.24641       26.38284 
1 1 1 -9  14 19 o 293.5125 6.836851 2529.491       117.6883 2663.636       351.6426 2512.570       124.8906 299.0609 20.16686 292.5040 7.280269 6.556915       21.44072 
1 1 1 -9  14 20 o 340.6472 6.917364 3407.804       138.1962 3486.838       380.7530 3395.813       148.3099 342.4001 19.03583 340.0081 7.437559 2.391998       20.43723 
1 1 1 -9  14 21 o 48.45154 17.18431 60.24922       61.17844 683.1918       277.9493 28.53306       62.71651 147.1483 33.02097 42.52748 16.87379 104.6208       37.08247 
1 1 1 -9  14 22 o 276.4644 6.819878 2245.290       110.5774 1786.103       333.2390 2302.107       117.2189 243.1293 23.66979 279.8252 7.148521 -36.69591      24.72571 
1 1 1 -9  14 23 o 352.3920 7.121010 3649.160       147.1696 3545.805       406.0087 3664.794       157.9087 344.2468 20.19888 353.0912 7.625503 -8.844421      21.59035 
1 1 1 -9  14 24 o 422.0991 7.775946 5239.059       192.4944 5270.474       483.7517 5233.148       209.8215 419.7878 19.70406 421.7500 8.482900 -1.962158      21.45250 
1 1 1 -9  14 25 o 160.3230 8.392371 758.3883       78.63503 552.5435       306.5960 772.8823       81.35638 130.9372 37.81724 161.8268 8.603083 -30.88956      38.78345 
1 1 1 -9  14 26 o 110.7903 14.68537 370.0568       93.07182 0.000000       0.000000 370.0568       93.07182 ?        ?        110.7903 14.68537 0.000000       14.68537 
1 1 1 -9  14 27 o 189.7921 8.084485 1061.782       89.78114 1184.160       318.1176 1051.191       93.58559 195.0125 28.66982 188.7931 8.473848 6.219452       29.89589 
1 1 1 -9  14 28 o 142.5623 10.26855 602.2814       85.27959 809.5130       332.7096 587.7090       88.22704 157.8995 36.63753 140.7438 10.77045 17.15569       38.18784 
1 1 1 -9  14 29 o 213.2437 8.548190 1340.588       106.6891 1501.275       357.6461 1324.892       111.7784 220.1712 28.35526 211.9263 9.013959 8.244888       29.75352 
1 1 1 -9  14 30 o 270.4190 7.867554 2153.276       124.6423 2134.213       387.6885 2155.474       131.6307 264.1811 25.33254 270.4927 8.307421 -6.311554      26.65991 
1 1 1 -9  14 31 o 124.1542 11.32946 459.1044       81.58575 771.6029       320.1022 437.3939       84.37220 153.6467 36.13383 121.0341 12.04589 32.61258       38.08880 
1 1 1 -9  14 32 o 624.2151 10.19255 11503.10       373.1364 11531.85       855.6418 11496.35       414.6406 615.5034 23.74798 623.5349 11.33863 -8.031494      26.31598 
1 1 1 -9  14 33 o 166.1133 9.250585 816.7963       89.76466 1065.105       329.1454 796.8440       93.30141 181.6160 32.07424 163.9809 9.745581 17.63512       33.52213 
1 1 1 -9  14 34 o 291.3001 7.716623 2502.253       131.7152 2212.316       369.9538 2544.340       140.9511 267.5650 23.82479 293.6374 8.192780 -26.07245      25.19409 
1 1 1 -9  14 35 o 227.6248 8.085714 1530.155       107.7700 1439.973       340.5547 1540.191       113.6086 212.8420 27.95748 228.2865 8.500409 -15.44446      29.22119 
1 1 1 -9  14 36 o 324.0482 7.843810 3098.329       149.0689 3330.290       415.7585 3064.110       159.6862 328.6759 21.68988 321.9821 8.463732 6.693878       23.28273 
1 1 1 -9  14 37 o 112.7496 17.77754 394.7897       113.6641 340.3842       319.3320 402.6827       121.6300 104.2842 38.91227 113.4894 18.94119 -9.205215      43.27740 
1 1 1 -9  14 38 o 60.77793 20.14420 111.1279       83.68102 37.16194       124.3384 172.3688       113.1385 55.53239 23.10410 73.75258 23.34352 -18.22019      32.84386 
1 1 1 -9  14 39 o 142.5902 10.83319 611.5801       89.91546 643.2802       125.4616 578.1037       128.9286 144.6372 15.00831 136.4105 16.44731 8.226776       22.26575 
1 1 1 -9  14 40 f 71.32270 20.85597 166.0814       92.73145 -10.29374      140.7605 301.3248       123.2594 52.87503 23.30432 95.09576 22.46133 -42.22073      32.36669 
1 1 1 -9  14 41 o 112.3449 14.32862 391.7379       92.26232 419.8675       127.1592 360.4666       134.0724 113.7131 19.78536 103.6643 22.68429 10.04887       30.10046 
1 1 1 -9  14 42 o 200.7885 8.871691 1206.959       104.2131 1187.102       142.3604 1229.885       152.9700 197.2360 12.36928 200.3045 13.09339 -3.068497      18.01211 
1 1 1 -9  14 43 o 57.19414 20.80929 96.40202       90.35927 117.8994       129.1520 75.78981       126.4650 64.03008 24.55093 58.41084 23.68828 5.619244       34.11573 
1 1 1 -9  14 44 o 55.84195 21.07030 87.47254       94.18456 154.3017       142.0271 35.01476       125.8326 69.29692 25.93194 53.40295 22.78155 15.89397       34.51759 
1 1 1 -9  14 45 o 79.16704 21.84990 219.1758       104.7630 84.90491       156.0592 329.3215       141.3456 61.80328 25.81172 95.12727 25.00944 -33.32400      35.94046 
1 1 1 -9  14 46 o 76.83963 22.58256 210.1499       108.4858 118.5860       162.5126 283.7526       145.7041 65.29835 26.71321 86.80570 26.33084 -21.50735      37.50878 
1 1 1 -9  14 47 o 205.1221 10.74910 1288.630       128.8597 1247.305       187.8389 1325.366       177.1047 196.3083 16.46697 204.1129 14.89737 -7.804581      22.20569 
1 1 1 -9  14 48 o 56.47947 22.73994 84.16741       115.6042 -75.39613      170.5701 219.7351       157.2224 50.10581 23.41650 76.00211 27.47791 -25.89631      36.10219 
1 1 1 -9  15 1  o 673.0048 13.66071 13308.79       539.1900 0.000000       0.000000 13308.79       539.1900 ?        ?        673.0048 13.66071 0.000000       13.66071 
1 1 1 -9  15 2  o 408.3638 9.415816 4894.814       225.5048 0.000000       0.000000 4894.814       225.5048 ?        ?        408.3638 9.415816 0.000000       9.415816 
1 1 1 -9  15 3  o 430.9939 9.819009 5452.860       248.1929 0.000000       0.000000 5452.860       248.1929 ?        ?        430.9939 9.819009 0.000000       9.819009 
1 1 1 -9  15 4  o 291.0598 8.262443 2488.081       140.8969 0.000000       0.000000 2488.081       140.8969 ?        ?        291.0598 8.262443 0.000000       8.262443 
1 1 1 -9  15 5  f 475.0163 10.43354 6624.797       290.6637 0.000000       0.000000 6624.797       290.6637 ?        ?        475.0163 10.43354 0.000000       10.43354 
1 1 1 -9  15 6  o 603.3149 11.04719 10688.62       390.8826 0.000000       0.000000 10688.62       390.8826 ?        ?        603.3149 11.04719 0.000000       11.04719 
1 1 1 -9  15 7  o 641.8300 11.49345 12098.79       432.6342 0.000000       0.000000 12098.79       432.6342 ?        ?        641.8300 11.49345 0.000000       11.49345 
1 1 1 -9  15 8  o 344.1962 8.471205 3477.083       171.0022 0.000000       0.000000 3477.083       171.0022 ?        ?        344.1962 8.471205 0.000000       8.471205 
1 1 1 -9  15 9  o 442.4618 9.074236 5746.818       235.4704 0.000000       0.000000 5746.818       235.4704 ?        ?        442.4618 9.074236 0.000000       9.074236 
1 1 1 -9  15 10 o 741.5334 12.93689 16160.25       562.6149 0.000000       0.000000 16160.25       562.6149 ?        ?        741.5334 12.93689 0.000000       12.93689 
1 1 1 -9  15 11 o 369.1018 8.185373 3998.696       177.1884 0.000000       0.000000 3998.696       177.1884 ?        ?        369.1018 8.185373 0.000000       8.185373 
1 1 1 -9  15 12 o 148.2047 9.280731 647.4348       80.26185 0.000000       0.000000 647.4348       80.26185 ?        ?        148.2047 9.280731 0.000000       9.280731 
1 1 1 -9  15 13 o 274.2620 7.672901 2209.581       123.2959 2812.815       429.9962 2155.541       128.7001 307.3464 24.04667 270.8567 8.111076 36.48969       25.37778 
1 1 1 -9  15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 15 o 196.3874 9.324913 1135.472       107.0944 0.000000       0.000000 1135.472       107.0944 ?        ?        196.3874 9.324913 0.000000       9.324913 
1 1 1 -9  15 16 o 373.1530 8.013262 4088.952       175.3665 0.000000       0.000000 4088.952       175.3665 ?        ?        373.1530 8.013262 0.000000       8.013262 
1 1 1 -9  15 17 o 441.3408 10.24575 5726.443       265.1967 0.000000       0.000000 5726.443       265.1967 ?        ?        441.3408 10.24575 0.000000       10.24575 
1 1 1 -9  15 18 o 469.1693 8.972517 6469.032       246.8848 0.000000       0.000000 6469.032       246.8848 ?        ?        469.1693 8.972517 0.000000       8.972517 
1 1 1 -9  15 19 o 277.5978 7.032299 2264.591       114.3969 2040.543       358.9574 2289.919       120.6898 260.5191 23.75482 279.1165 7.379308 -18.59747      24.87459 
1 1 1 -9  15 20 o 383.1587 7.372192 4313.085       165.6631 4281.556       432.2576 4318.514       179.3582 379.1609 19.50430 383.3387 7.977890 -4.177734      21.07284 
1 1 1 -9  15 21 o 224.2124 7.025240 1478.333       92.26460 1273.431       305.8424 1498.848       96.77313 204.2477 26.12998 225.7370 7.319408 -21.48932      27.13577 
1 1 1 -9  15 22 o 184.7852 7.621400 1005.366       82.41745 877.6873       321.6185 1014.339       85.26458 166.3506 34.11195 185.5864 7.851532 -19.23573      35.00388 
1 1 1 -9  15 23 o 246.0297 6.984758 1780.297       100.6815 1641.637       334.4023 1794.120       105.5805 232.1674 24.95047 246.9500 7.297951 -14.78267      25.99588 
1 1 1 -9  15 24 o 336.8165 7.153642 3334.918       141.3094 3163.391       417.2623 3357.139       150.1838 323.9308 22.09604 337.8854 7.578848 -13.95465      23.35966 
1 1 1 -9  15 25 o 138.4772 9.373009 567.3752       75.67304 351.6282       314.9827 580.5903       77.95620 110.3249 39.00506 140.0647 9.547193 -29.73976      40.15649 
1 1 1 -9  15 26 o 367.4916 7.562290 3971.992       162.9864 3466.572       446.0981 4049.853       175.0910 338.6593 22.58952 371.0031 8.047035 -32.34375      23.98001 
1 1 1 -9  15 27 o 290.2053 9.512517 2483.868       161.6829 0.000000       0.000000 2483.868       161.6829 ?        ?        290.2053 9.512517 0.000000       9.512517 
1 1 1 -9  15 28 o 326.5548 9.920134 3145.749       189.7668 0.000000       0.000000 3145.749       189.7668 ?        ?        326.5548 9.920134 0.000000       9.920134 
1 1 1 -9  15 29 o 284.7768 9.476911 2391.972       158.0580 2806.490       420.9839 2323.953       170.5337 304.0079 23.80148 280.5304 10.38317 23.47748       25.96768 
1 1 1 -9  15 30 o 274.9300 7.745335 2225.718       124.7613 3492.635       434.0117 2111.598       130.2592 339.9148 21.88745 267.6991 8.306858 72.21573       23.41078 
1 1 1 -9  15 31 o 217.1473 10.23811 1394.786       130.0169 2412.302       371.3570 1252.635       138.8021 281.5020 22.68560 205.5079 11.56304 75.99409       25.46253 
1 1 1 -9  15 32 o 231.9226 7.961681 1586.118       108.1319 2015.703       389.6460 1550.274       112.5528 254.8452 26.45456 229.2137 8.386834 25.63155       27.75216 
1 1 1 -9  15 33 o 316.7542 7.676653 2955.846       142.6083 3227.461       420.8694 2920.616       151.5750 324.8102 22.22760 314.6485 8.220981 10.16174       23.69917 
1 1 1 -9  15 34 o 189.8925 8.905287 1066.920       98.89968 1264.422       335.3437 1048.105       103.5033 198.5501 29.71035 188.1087 9.411887 10.44141       31.16550 
1 1 1 -9  15 35 o 86.12116 16.74994 230.3343       81.55392 342.7850       334.3004 223.2185       84.09469 106.9859 39.83473 84.56717 17.53182 22.41872       43.52207 
1 1 1 -9  15 36 o 100.0350 15.20102 307.0290       86.37885 484.4663       352.1301 295.6683       89.10123 118.9244 41.30029 97.88106 16.07938 21.04338       44.31997 
1 1 1 -9  15 37 o 120.4804 12.12032 437.8200       84.47842 15.13629       332.2859 467.0280       87.34845 81.01356 35.75180 124.4712 12.11890 -43.45766      37.74996 
1 1 1 -9  15 38 o 140.3366 10.67079 591.0387       87.16660 638.5889       121.9331 541.3408       124.6564 144.5153 14.58596 132.2146 16.42963 12.30067       21.97005 
1 1 1 -9  15 39 o 132.7778 11.59872 533.4677       89.41460 633.1322       127.0219 435.5739       125.8884 143.1483 15.37057 116.8431 19.02492 26.30522       24.45817 
1 1 1 -9  15 40 o 62.77198 20.71372 123.5336       88.50909 114.6993       128.7014 131.4610       121.9156 64.76611 24.58659 66.52494 24.17617 -1.758835      34.48170 
1 1 1 -9  15 41 o 100.0536 15.93535 316.6034       90.37369 369.4970       124.9604 258.5984       130.8589 105.7362 20.89224 86.64981 24.60529 19.08640       32.27857 
1 1 1 -9  15 42 o 182.9666 9.518744 1007.009       101.7902 882.2909       140.0538 1146.653       148.1973 168.5787 14.30064 193.1062 13.16432 -24.52747      19.43727 
1 1 1 -9  15 43 o 96.12827 17.10997 299.5408       92.92463 342.3951       136.1988 262.2194       127.1028 98.93083 23.77122 86.24097 24.16691 12.68987       33.89854 
1 1 1 -9  15 44 o 97.64346 17.53443 312.3195       96.72181 289.0974       149.3345 329.1008       126.9469 88.51781 26.61518 97.06465 22.70652 -8.546844      34.98505 
1 1 1 -9  15 45 o 74.25484 21.69236 192.6553       100.3607 280.3091       145.6068 113.3249       138.5211 86.67327 26.32853 63.10588 25.06483 23.56739       36.35158 
1 1 1 -9  15 46 o 72.99303 22.29735 188.6082       104.2379 279.4140       152.7528 109.4724       142.5998 85.50448 27.13162 62.59488 25.23692 22.90960       37.05438 
1 1 1 -9  15 47 o 124.7680 15.60443 503.3370       111.6932 483.9757       160.2773 521.6169       155.7366 114.9260 24.52686 121.1328 22.75729 -6.206741      33.45835 
1 1 1 -9  15 48 o 76.74612 23.46154 216.4872       115.3787 168.4483       166.1582 261.2193       160.3376 69.80756 27.53838 81.39403 27.88600 -11.58646      39.19172 
1 1 1 -9  16 1  o 763.6673 15.04620 17146.55       673.8784 0.000000       0.000000 17146.55       673.8784 ?        ?        763.6673 15.04620 0.000000       15.04620 
1 1 1 -9  16 2  o 318.7539 8.469201 2984.030       158.1844 0.000000       0.000000 2984.030       158.1844 ?        ?        318.7539 8.469201 0.000000       8.469201 
1 1 1 -9  16 3  f 263.8466 8.734218 2045.459       134.9668 0.000000       0.000000 2045.459       134.9668 ?        ?        263.8466 8.734218 0.000000       8.734218 
1 1 1 -9  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 5  o 254.3737 8.480127 1901.205       126.3332 0.000000       0.000000 1901.205       126.3332 ?        ?        254.3737 8.480127 0.000000       8.480127 
1 1 1 -9  16 6  o 525.8404 10.09637 8118.661       311.3649 0.000000       0.000000 8118.661       311.3649 ?        ?        525.8404 10.09637 0.000000       10.09637 
1 1 1 -9  16 7  o 524.4915 10.14610 8077.480       312.0958 0.000000       0.000000 8077.480       312.0958 ?        ?        524.4915 10.14610 0.000000       10.14610 
1 1 1 -9  16 8  o 305.7411 7.854059 2745.188       140.7145 0.000000       0.000000 2745.188       140.7145 ?        ?        305.7411 7.854059 0.000000       7.854059 
1 1 1 -9  16 9  o 578.4480 10.58138 9827.083       358.9693 0.000000       0.000000 9827.083       358.9693 ?        ?        578.4480 10.58138 0.000000       10.58138 
1 1 1 -9  16 10 o 397.1617 8.522713 4630.406       198.5161 0.000000       0.000000 4630.406       198.5161 ?        ?        397.1617 8.522713 0.000000       8.522713 
1 1 1 -9  16 11 o 280.0312 7.597789 2303.292       124.6645 0.000000       0.000000 2303.292       124.6645 ?        ?        280.0312 7.597789 0.000000       7.597789 
1 1 1 -9  16 12 o 501.4833 9.339412 7385.646       274.6797 0.000000       0.000000 7385.646       274.6797 ?        ?        501.4833 9.339412 0.000000       9.339412 
1 1 1 -9  16 13 o 365.6753 8.038954 3925.941       172.4033 0.000000       0.000000 3925.941       172.4033 ?        ?        365.6753 8.038954 0.000000       8.038954 
1 1 1 -9  16 14 o 203.3214 9.176849 1216.805       109.1456 0.000000       0.000000 1216.805       109.1456 ?        ?        203.3214 9.176849 0.000000       9.176849 
1 1 1 -9  16 15 o 277.3307 8.600386 2261.306       139.7144 0.000000       0.000000 2261.306       139.7144 ?        ?        277.3307 8.600386 0.000000       8.600386 
1 1 1 -9  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 17 o 358.9404 7.816683 3784.445       164.5490 0.000000       0.000000 3784.445       164.5490 ?        ?        358.9404 7.816683 0.000000       7.816683 
1 1 1 -9  16 18 o 297.1505 7.177321 2593.366       125.0804 1968.127       380.9005 2668.937       132.4240 255.2428 25.79909 301.4276 7.490884 -46.18480      26.86459 
1 1 1 -9  16 19 o 363.2267 7.222596 3875.719       153.8585 4056.524       435.4175 3849.922       164.4688 368.8316 20.20643 361.9672 7.747537 6.864471       21.64079 
1 1 1 -9  16 20 o 231.3607 7.236594 1574.257       98.07085 2005.782       359.6555 1539.594       101.9336 257.6969 24.07593 228.7613 7.608327 28.93561       25.24950 
1 1 1 -9  16 21 o 88.47939 12.89733 235.8702       64.95791 210.9398       290.5540 237.1818       66.64476 96.25566 36.84483 88.67211 13.21857 7.583549       39.14425 
1 1 1 -9  16 22 o 385.0645 7.386419 4358.470       166.8084 4657.682       479.8319 4317.339       177.9046 394.2615 20.82559 383.1747 7.916620 11.08682       22.27954 
1 1 1 -9  16 23 o 115.1955 10.44441 394.3228       69.79578 316.2549       327.5247 398.0367       71.43666 108.0570 39.57093 115.7116 10.64599 -7.654549      40.97799 
1 1 1 -9  16 24 o 198.9417 9.642087 1168.697       112.1636 1046.692       352.3676 1182.453       118.3179 181.0560 34.44246 200.0418 10.11793 -18.98582      35.89785 
1 1 1 -9  16 25 o 73.54980 16.85537 167.2531       71.14580 853.4565       376.5994 141.8566       72.45040 161.0486 40.04237 67.78577 17.94527 93.26287       43.87965 
1 1 1 -9  16 26 o 429.9935 8.032878 5440.019       202.5739 5374.882       533.4548 5450.995       218.9767 422.5179 21.59960 430.3069 8.676991 -7.789093      23.27730 
1 1 1 -9  16 27 o 189.7118 11.13852 1065.717       123.3836 0.000000       0.000000 1065.717       123.3836 ?        ?        189.7118 11.13852 0.000000       11.13852 
1 1 1 -9  16 28 o 233.1754 10.68668 1607.123       145.7537 0.000000       0.000000 1607.123       145.7537 ?        ?        233.1754 10.68668 0.000000       10.68668 
1 1 1 -9  16 29 o 312.0594 7.791967 2865.074       142.6050 3112.855       449.6980 2837.371       150.3658 319.9273 24.14552 310.3736 8.268002 9.553711       25.52187 
1 1 1 -9  16 30 o 330.3369 7.738766 3211.456       149.9268 3880.140       442.6017 3124.783       159.3474 358.3779 21.15228 325.6469 8.350377 32.73105       22.74088 
1 1 1 -9  16 31 o 139.0448 14.56495 580.9102       117.0117 1321.310       380.6878 503.6622       122.9644 202.9464 33.12596 128.8668 16.65945 74.07965       37.07919 
1 1 1 -9  16 32 o 243.4344 7.828702 1747.615       111.6239 2229.649       414.5409 1709.932       115.9049 267.4279 26.79117 240.7226 8.221902 26.70526       28.02439 
1 1 1 -9  16 33 o 231.9301 8.037783 1587.739       109.1659 1664.349       374.0533 1580.607       114.1347 229.2567 28.42900 231.3331 8.426661 -2.076401      29.65158 
1 1 1 -9  16 34 o 260.7566 8.022607 2007.279       122.5418 1690.287       399.2046 2040.256       128.7581 229.2109 30.44932 262.8155 8.364243 -33.60458      31.57723 
1 1 1 -9  16 35 f 222.8262 8.463674 1468.624       110.4042 1397.679       387.0146 1474.909       115.1907 205.3267 33.27697 223.2216 8.816287 -17.89484      34.42505 
1 1 1 -9  16 36 o 58.29801 19.74672 98.52754       80.36429 114.5538       370.1347 97.73466       82.32826 90.99239 38.95106 58.35611 19.98250 32.63628       43.77768 
1 1 1 -9  16 37 o 211.4256 8.551660 1326.695       105.8185 1297.818       355.3882 1329.505       110.8462 194.8256 32.22916 211.5276 8.955441 -16.70195      33.45024 
1 1 1 -9  16 38 o 76.99033 22.83025 193.8711       110.4694 186.9642       319.2869 194.8103       117.7412 88.35636 36.91214 77.21230 23.71872 11.14406       43.87577 
1 1 1 -9  16 39 o 201.6769 8.947622 1213.556       105.5679 1287.181       148.2084 1137.731       150.4070 206.1553 12.31435 193.2347 13.35402 12.92064       18.16516 
1 1 1 -9  16 40 f 182.3342 9.612698 996.6976       102.4299 1129.272       144.1702 861.5635       145.5554 192.4978 12.84372 166.8533 15.03565 25.64458       19.77452 
1 1 1 -9  16 41 o 172.5405 9.977145 896.4778       100.5290 903.2051       132.1531 887.2385       154.8740 171.5015 13.24137 168.3409 15.87437 3.160568       20.67195 
1 1 1 -9  16 42 o 70.53226 20.48539 166.9760       89.73513 124.8785       123.5287 214.0119       130.5734 64.55737 24.17896 78.34080 25.10980 -13.78342      34.85863 
1 1 1 -9  16 43 o 108.5146 15.72441 375.7116       97.15953 316.9350       139.8863 430.4942       135.0499 94.09281 24.94744 112.8434 21.18426 -18.75056      32.72839 
1 1 1 -9  16 44 o 35.23117 16.68453 -88.74746      91.82412 -74.13876      134.9105 -101.3561      125.3354 45.33701 21.06601 41.70443 19.67249 3.632580       28.82332 
1 1 1 -9  16 45 o 172.7980 11.03306 915.0213       111.2272 893.7969       156.2339 936.8345       158.3861 166.7490 16.17885 170.9156 15.98650 -4.166595      22.74474 
1 1 1 -9  16 46 o 67.90481 22.68191 161.2137       106.0488 42.35781       153.8990 268.6774       146.3378 56.80981 24.71832 84.00692 26.54331 -27.19711      36.27040 
1 1 1 -9  16 47 o 51.35525 21.84046 41.47072       115.0273 89.48812       177.4274 6.656475       151.0775 62.88168 26.94397 53.09399 23.72822 9.787689       35.90273 
1 1 1 -9  16 48 f 123.4593 17.71419 508.6016       124.5921 557.9747       189.3268 470.8863       165.4723 119.6528 27.54972 111.3525 25.83828 8.300285       37.77042 
1 1 1 -9  17 1  o 178.4268 8.762868 936.7202       91.41689 0.000000       0.000000 936.7202       91.41689 ?        ?        178.4268 8.762868 0.000000       8.762868 
1 1 1 -9  17 2  o 475.0822 10.47712 6627.827       291.9182 0.000000       0.000000 6627.827       291.9182 ?        ?        475.0822 10.47712 0.000000       10.47712 
1 1 1 -9  17 3  o 260.9309 8.266616 2000.286       126.3443 0.000000       0.000000 2000.286       126.3443 ?        ?        260.9309 8.266616 0.000000       8.266616 
1 1 1 -9  17 4  o 311.4120 8.454324 2848.525       154.2634 0.000000       0.000000 2848.525       154.2634 ?        ?        311.4120 8.454324 0.000000       8.454324 
1 1 1 -9  17 5  o 514.5926 10.91370 7777.560       329.3715 0.000000       0.000000 7777.560       329.3715 ?        ?        514.5926 10.91370 0.000000       10.91370 
1 1 1 -9  17 6  o 285.3592 7.822199 2391.640       130.7860 0.000000       0.000000 2391.640       130.7860 ?        ?        285.3592 7.822199 0.000000       7.822199 
1 1 1 -9  17 7  o 814.0411 14.11391 19487.00       673.8206 0.000000       0.000000 19487.00       673.8206 ?        ?        814.0411 14.11391 0.000000       14.11391 
1 1 1 -9  17 8  o 875.0346 14.81341 22526.77       760.2049 0.000000       0.000000 22526.77       760.2049 ?        ?        875.0346 14.81341 0.000000       14.81341 
1 1 1 -9  17 9  o 680.6389 11.80803 13615.05       471.3514 0.000000       0.000000 13615.05       471.3514 ?        ?        680.6389 11.80803 0.000000       11.80803 
1 1 1 -9  17 10 o 847.5326 14.59560 21140.59       725.4856 0.000000       0.000000 21140.59       725.4856 ?        ?        847.5326 14.59560 0.000000       14.59560 
1 1 1 -9  17 11 o 363.0538 8.118673 3869.838       172.8648 0.000000       0.000000 3869.838       172.8648 ?        ?        363.0538 8.118673 0.000000       8.118673 
1 1 1 -9  17 12 o 481.0744 9.363468 6798.377       264.1797 0.000000       0.000000 6798.377       264.1797 ?        ?        481.0744 9.363468 0.000000       9.363468 
1 1 1 -9  17 13 o 545.6583 19.38387 8812.779       619.3290 0.000000       0.000000 8812.779       619.3290 ?        ?        545.6583 19.38387 0.000000       19.38387 
1 1 1 -9  17 14 o 117.9459 10.86201 412.4970       74.29188 0.000000       0.000000 412.4970       74.29188 ?        ?        117.9459 10.86201 0.000000       10.86201 
1 1 1 -9  17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  17 16 o 437.1687 10.01427 5620.280       256.7550 0.000000       0.000000 5620.280       256.7550 ?        ?        437.1687 10.01427 0.000000       10.01427 
1 1 1 -9  17 17 o 144.9134 10.30093 620.9350       86.97513 0.000000       0.000000 620.9350       86.97513 ?        ?        144.9134 10.30093 0.000000       10.30093 
1 1 1 -9  17 18 o 349.5864 7.166021 3590.061       146.9208 5239.836       491.1645 3427.937       153.9706 419.3534 20.02873 341.5561 7.686439 77.79727       21.45300 
1 1 1 -9  17 19 o 55.13636 18.11139 86.54700       67.69513 0.000000       0.000000 86.54700       67.69513 ?        ?        55.13636 18.11139 0.000000       18.11139 
1 1 1 -9  17 20 o 163.6440 8.256186 789.4384       78.98135 1146.872       351.3895 770.4196       81.05539 191.3851 32.46517 161.6210 8.582094 29.76414       33.58035 
1 1 1 -9  17 21 o 186.4941 7.679522 1024.250       83.81460 780.3647       328.5435 1041.227       86.68274 155.7228 36.59710 188.0150 7.878674 -32.29222      37.43556 
1 1 1 -9  17 22 o 125.3756 10.28988 466.3412       74.99611 195.1362       342.4153 480.0065       76.86231 99.21040 39.40699 127.1966 10.39412 -27.98618      40.75474 
1 1 1 -9  17 23 o 395.7324 7.617492 4605.565       176.7926 4998.926       511.9246 4552.298       188.3830 407.6752 21.48707 393.3523 8.166002 14.32291       22.98647 
1 1 1 -9  17 24 o 314.8671 8.815077 2921.165       162.6209 0.000000       0.000000 2921.165       162.6209 ?        ?        314.8671 8.815077 0.000000       8.815077 
1 1 1 -9  17 25 o 255.0214 7.473746 1914.282       111.6598 2121.433       392.7565 1896.067       116.4656 263.3299 25.76069 253.7569 7.835196 9.572983       26.92589 
1 1 1 -9  17 26 o 176.3639 10.81624 920.9902       111.3378 1443.355       390.9005 874.8723       116.1487 214.2536 32.09594 171.7484 11.59915 42.50522       34.12755 
1 1 1 -9  17 27 o 187.6918 11.75849 1044.376       128.7834 0.000000       0.000000 1044.376       128.7834 ?        ?        187.6918 11.75849 0.000000       11.75849 
1 1 1 -9  17 28 o 36.57293 17.39546 -126.9707      101.9658 0.000000       0.000000 -126.9707      101.9658 ?        ?        36.57293 17.39546 0.000000       17.39546 
1 1 1 -9  17 29 o 86.82535 21.62849 235.7757       109.7222 0.000000       0.000000 235.7757       109.7222 ?        ?        86.82535 21.62849 0.000000       21.62849 
1 1 1 -9  17 30 o 100.8008 20.00516 315.6368       114.0905 0.000000       0.000000 315.6368       114.0905 ?        ?        100.8008 20.00516 0.000000       20.00516 
1 1 1 -9  17 31 o 110.1173 13.18912 365.0013       83.48450 1170.216       391.4622 326.6341       85.45029 188.2335 36.77962 103.8130 14.42407 84.42043       39.50689 
1 1 1 -9  17 32 o 38.71920 17.04783 -18.60032      75.14688 299.8403       379.4666 -31.59836      76.66521 107.2216 41.81849 37.64098 16.85666 69.58061       45.08806 
1 1 1 -9  17 33 o 89.87146 15.65056 248.4535       79.49448 87.56992       385.3925 255.6028       81.24155 92.86290 39.74864 91.15656 15.76674 1.706337       42.76148 
1 1 1 -9  17 34 o 362.8963 8.034673 3885.677       171.0020 3617.753       484.4539 3923.809       182.7665 340.9287 24.39029 364.5244 8.549080 -23.59570      25.84517 
1 1 1 -9  17 35 o 77.20607 18.51735 188.2822       82.76485 794.5821       379.4118 157.9900       84.80722 148.0737 41.84601 70.80714 19.70355 77.26656       46.25277 
1 1 1 -9  17 36 o 273.9620 8.070734 2221.613       129.5329 2120.480       389.2841 2234.205       137.3602 256.5818 26.23869 274.5851 8.540077 -18.00333      27.59351 
1 1 1 -9  17 37 o 256.7606 8.139540 1955.438       122.4136 1586.716       367.6228 2001.420       129.8224 216.7728 29.69639 259.6173 8.538009 -42.84447      30.89940 
1 1 1 -9  17 38 o 147.8765 10.24771 656.5950       88.32467 331.7454       359.6202 677.4485       91.11555 99.72149 40.12238 150.1611 10.41074 -50.43964      41.45104 
1 1 1 -9  17 39 o 208.5761 8.525533 1296.822       104.0687 1256.484       143.3460 1341.778       151.3290 203.6534 12.05566 210.3242 12.32222 -6.670853      17.23879 
1 1 1 -9  17 40 o 196.3324 9.460608 1155.629       108.6129 1299.852       162.9901 1040.431       145.6691 205.9172 13.57207 184.1337 13.58477 21.78346       19.20279 
1 1 1 -9  17 41 o 65.08311 20.36874 138.9951       86.37324 152.9903       118.2247 122.9734       126.4947 68.65509 23.92541 64.75616 24.42179 3.898933       34.18843 
1 1 1 -9  17 42 o 101.1527 16.62653 329.2195       95.21067 448.5540       139.4815 225.1026       130.2849 115.3710 21.40216 79.94386 25.01571 35.42715       32.92170 
1 1 1 -9  17 43 o 60.28762 21.17319 115.2532       92.69972 103.3965       128.5245 128.1091       133.8308 61.51948 24.23489 65.15208 24.98901 -3.632599      34.81064 
1 1 1 -9  17 44 o 162.2754 11.35214 807.8763       107.3576 879.4568       152.8436 738.1698       150.8297 165.9312 15.90044 150.7436 17.37843 15.18758       23.55491 
1 1 1 -9  17 45 o 101.2099 18.87200 344.5117       107.8991 261.6912       162.1321 410.3526       144.5600 82.57263 28.04693 106.9429 23.67463 -24.37031      36.70311 
1 1 1 -9  17 46 o 117.5106 17.72870 458.2207       118.3830 562.2510       180.0552 379.0081       157.1170 122.9517 25.79451 99.60506 26.45333 23.34662       36.94774 
1 1 1 -9  17 47 o 86.75423 24.26681 280.4999       128.2789 321.8456       199.0557 251.1331       167.7601 87.41727 30.99776 79.86417 28.44283 7.553101       42.06965 
1 1 1 -9  18 1  o 72.40177 16.67725 160.4944       69.35484 0.000000       0.000000 160.4944       69.35484 ?        ?        72.40177 16.67725 0.000000       16.67725 
1 1 1 -9  18 2  o 522.3022 18.67890 8049.588       571.2470 0.000000       0.000000 8049.588       571.2470 ?        ?        522.3022 18.67890 0.000000       18.67890 
1 1 1 -9  18 3  o 225.4259 8.407710 1493.743       110.9610 0.000000       0.000000 1493.743       110.9610 ?        ?        225.4259 8.407710 0.000000       8.407710 
1 1 1 -9  18 4  o 196.8368 8.331512 1139.346       95.96158 0.000000       0.000000 1139.346       95.96158 ?        ?        196.8368 8.331512 0.000000       8.331512 
1 1 1 -9  18 5  o 694.1674 13.94715 14172.35       567.8064 0.000000       0.000000 14172.35       567.8064 ?        ?        694.1674 13.94715 0.000000       13.94715 
1 1 1 -9  18 6  o 711.4005 14.30072 14888.90       596.6541 0.000000       0.000000 14888.90       596.6541 ?        ?        711.4005 14.30072 0.000000       14.30072 
1 1 1 -9  18 7  o 521.0084 9.821764 7972.798       300.1129 0.000000       0.000000 7972.798       300.1129 ?        ?        521.0084 9.821764 0.000000       9.821764 
1 1 1 -9  18 8  o 333.9328 7.953809 3273.588       155.7703 0.000000       0.000000 3273.588       155.7703 ?        ?        333.9328 7.953809 0.000000       7.953809 
1 1 1 -9  18 9  f 301.7058 7.897020 2674.196       139.6124 0.000000       0.000000 2674.196       139.6124 ?        ?        301.7058 7.897020 0.000000       7.897020 
1 1 1 -9  18 10 o 554.2061 10.28812 9025.695       334.3935 0.000000       0.000000 9025.695       334.3935 ?        ?        554.2061 10.28812 0.000000       10.28812 
1 1 1 -9  18 11 o 302.9738 7.637772 2696.785       135.6051 0.000000       0.000000 2696.785       135.6051 ?        ?        302.9738 7.637772 0.000000       7.637772 
1 1 1 -9  18 12 o 282.4138 9.255611 2345.894       153.0927 0.000000       0.000000 2345.894       153.0927 ?        ?        282.4138 9.255611 0.000000       9.255611 
1 1 1 -9  18 13 f 225.9967 8.379711 1502.357       110.8738 0.000000       0.000000 1502.357       110.8738 ?        ?        225.9967 8.379711 0.000000       8.379711 
1 1 1 -9  18 14 o 475.7914 10.29534 6657.289       287.2816 0.000000       0.000000 6657.289       287.2816 ?        ?        475.7914 10.29534 0.000000       10.29534 
1 1 1 -9  18 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 16 o 741.9545 12.69430 16227.04       552.3781 0.000000       0.000000 16227.04       552.3781 ?        ?        741.9545 12.69430 0.000000       12.69430 
1 1 1 -9  18 17 o 254.3536 8.515611 1904.110       126.8503 0.000000       0.000000 1904.110       126.8503 ?        ?        254.3536 8.515611 0.000000       8.515611 
1 1 1 -9  18 18 o 278.1176 7.270304 2274.302       118.4838 0.000000       0.000000 2274.302       118.4838 ?        ?        278.1176 7.270304 0.000000       7.270304 
1 1 1 -9  18 19 o 185.0939 7.955447 1009.084       86.15728 1426.229       369.7484 985.1345       88.59608 214.6994 30.19805 182.8458 8.283395 31.85364       31.31353 
1 1 1 -9  18 20 o 239.3586 7.374373 1685.662       103.3966 1459.966       371.4145 1704.622       107.6522 217.0696 29.97405 240.6733 7.636500 -23.60371      30.93154 
1 1 1 -9  18 21 o 154.4334 8.859243 704.2689       79.90284 933.9913       368.5344 692.9376       81.84978 169.7504 37.97042 153.1455 9.154814 16.60487       39.05847 
1 1 1 -9  18 22 o 429.7648 8.554213 5435.841       215.6062 0.000000       0.000000 5435.841       215.6062 ?        ?        429.7648 8.554213 0.000000       8.554213 
1 1 1 -9  18 23 o 150.9006 9.189261 673.0997       80.93908 271.9934       369.9131 693.2686       82.94906 107.0767 41.42002 153.1410 9.279236 -46.06429      42.44670 
1 1 1 -9  18 24 o 148.2105 9.673370 649.9935       83.62337 1013.595       370.3893 630.4642       85.83974 176.9417 36.88952 145.8985 10.09422 31.04327       38.24565 
1 1 1 -9  18 25 o 226.0781 8.125880 1505.825       107.5654 557.7893       401.0476 1579.310       111.6564 132.6547 44.10384 231.5210 8.236359 -98.86627      44.86632 
1 1 1 -9  18 26 o 162.1290 12.22969 781.0437       115.4285 1267.944       439.8112 745.0250       119.6217 197.3578 39.37896 158.1868 13.00890 39.17101       41.47209 
1 1 1 -9  18 27 o 243.5175 10.73395 1752.901       152.9226 0.000000       0.000000 1752.901       152.9226 ?        ?        243.5175 10.73395 0.000000       10.73395 
1 1 1 -9  18 28 o 204.0316 11.26085 1233.166       134.2245 0.000000       0.000000 1233.166       134.2245 ?        ?        204.0316 11.26085 0.000000       11.26085 
1 1 1 -9  18 29 o 323.6743 8.449774 3087.937       160.2626 0.000000       0.000000 3087.937       160.2626 ?        ?        323.6743 8.449774 0.000000       8.449774 
1 1 1 -9  18 30 o 193.2843 11.95586 1110.509       134.8643 0.000000       0.000000 1110.509       134.8643 ?        ?        193.2843 11.95586 0.000000       11.95586 
1 1 1 -9  18 31 o 381.9846 8.046988 4300.426       180.2726 4911.844       531.8356 4221.057       191.6164 400.6743 22.72582 378.2981 8.636703 22.37622       24.31164 
1 1 1 -9  18 32 o 463.8765 8.542879 6349.268       232.4112 7114.932       649.0744 6236.664       248.9152 481.2910 23.06226 459.5043 9.236584 21.78668       24.84315 
1 1 1 -9  18 33 o 267.0981 8.044203 2106.345       125.8662 1758.183       444.0733 2136.759       131.2486 231.4024 33.71197 268.9550 8.330832 -37.55258      34.72606 
1 1 1 -9  18 34 o 327.3879 9.910612 3178.072       190.0699 3608.361       517.6070 3111.008       204.3458 337.9654 26.32166 323.5842 10.78288 14.38126       28.44469 
1 1 1 -9  18 35 o 30.29217 14.58048 -111.1315      76.40876 -31.47930      387.2486 -114.3582      77.94102 84.29024 37.80565 30.51639 14.69792 53.77385       40.56225 
1 1 1 -9  18 36 o 82.38470 17.59820 215.2652       82.44520 398.0757       370.9588 205.7662       84.56005 108.1664 41.57402 80.31021 18.35511 27.85617       45.44568 
1 1 1 -9  18 37 o 104.7331 13.94804 337.7610       83.54575 243.8841       364.6901 342.9606       85.82828 94.59455 39.47869 105.4442 14.24283 -10.84964      41.96934 
1 1 1 -9  18 38 o 135.8624 11.09329 557.7643       87.62263 477.5201       369.1642 562.5549       90.20026 109.9447 41.66289 136.3422 11.38428 -26.39745      43.19026 
1 1 1 -9  18 39 o 179.1585 8.689227 958.6124       91.02738 921.7859       118.3126 1012.035       142.4995 174.4291 11.63189 181.8338 13.45790 -7.404709      17.78809 
1 1 1 -9  18 40 f 199.3596 9.352736 1192.346       109.0471 1244.423       157.7229 1144.657       150.9327 201.2986 13.43685 193.0433 13.41493 8.255249       18.98708 
1 1 1 -9  18 41 o 119.3807 13.70948 443.6749       94.24553 607.0698       136.0795 293.0525       130.6527 137.7182 17.22366 91.45243 24.04559 46.26582       29.57777 
1 1 1 -9  18 42 o 193.5319 9.541431 1129.622       107.9632 1185.390       153.9798 1075.694       151.4183 195.5887 13.50656 185.9203 13.98937 9.668396       19.44556 
1 1 1 -9  18 43 o 105.0775 16.61453 357.9466       98.98759 486.2691       140.5793 231.7550       139.4072 119.8543 20.75052 79.82007 25.97649 40.03419       33.24699 
1 1 1 -9  18 44 o 80.73055 22.08741 230.5731       107.5862 136.8320       159.7574 308.3666       145.5350 67.13956 26.83472 90.79124 26.00322 -23.65169      37.36669 
1 1 1 -9  18 45 o 89.10416 21.91095 281.2729       113.6892 440.8094       174.0257 162.4893       150.1626 107.0931 27.55071 69.23917 26.49161 37.85396       38.22103 
1 1 1 -9  18 46 o 104.4795 20.95052 381.0353       123.9017 425.7263       183.4793 343.5712       167.9905 102.7437 29.12191 92.76576 28.30020 9.977974       40.60772 
1 1 1 -9  18 47 o 74.69767 24.75254 208.3688       126.3493 358.7492       189.6826 88.42606       169.4021 92.26358 30.31757 61.78642 26.39753 30.47716       40.19931 
1 1 1 -9  19 1  o 434.0559 8.310306 5531.165       211.5501 5651.043       425.9791 5491.920       243.7304 437.6609 16.62611 432.4286 9.610472 5.232239       19.20387 
1 1 1 -9  19 2  f 642.5763 13.13033 12143.38       494.8240 0.000000       0.000000 12143.38       494.8240 ?        ?        642.5763 13.13033 0.000000       13.13033 
1 1 1 -9  19 3  o 463.2759 10.32428 6305.193       280.5110 0.000000       0.000000 6305.193       280.5110 ?        ?        463.2759 10.32428 0.000000       10.32428 
1 1 1 -9  19 4  o 380.7208 9.157328 4256.738       204.4682 0.000000       0.000000 4256.738       204.4682 ?        ?        380.7208 9.157328 0.000000       9.157328 
1 1 1 -9  19 5  o 311.0403 8.487157 2842.800       154.6762 0.000000       0.000000 2842.800       154.6762 ?        ?        311.0403 8.487157 0.000000       8.487157 
1 1 1 -9  19 6  o 530.2267 11.14682 8263.504       346.6276 0.000000       0.000000 8263.504       346.6276 ?        ?        530.2267 11.14682 0.000000       11.14682 
1 1 1 -9  19 7  o 327.5521 7.833207 3149.969       150.4771 0.000000       0.000000 3149.969       150.4771 ?        ?        327.5521 7.833207 0.000000       7.833207 
1 1 1 -9  19 8  o 312.5453 7.793018 2868.081       142.8464 0.000000       0.000000 2868.081       142.8464 ?        ?        312.5453 7.793018 0.000000       7.793018 
1 1 1 -9  19 9  o 510.2898 9.722132 7651.546       290.9571 0.000000       0.000000 7651.546       290.9571 ?        ?        510.2898 9.722132 0.000000       9.722132 
1 1 1 -9  19 10 o 294.9167 9.309192 2558.102       160.8117 0.000000       0.000000 2558.102       160.8117 ?        ?        294.9167 9.309192 0.000000       9.309192 
1 1 1 -9  19 11 o 87.48084 13.68255 230.7829       67.90051 0.000000       0.000000 230.7829       67.90051 ?        ?        87.48084 13.68255 0.000000       13.68255 
1 1 1 -9  19 12 o 435.6619 8.604090 5576.643       219.8391 0.000000       0.000000 5576.643       219.8391 ?        ?        435.6619 8.604090 0.000000       8.604090 
1 1 1 -9  19 13 o 261.7122 12.94162 2023.000       198.0223 0.000000       0.000000 2023.000       198.0223 ?        ?        261.7122 12.94162 0.000000       12.94162 
1 1 1 -9  19 14 o 327.1215 8.523803 3147.107       163.3890 0.000000       0.000000 3147.107       163.3890 ?        ?        327.1215 8.523803 0.000000       8.523803 
1 1 1 -9  19 15 o 394.2527 9.187422 4570.944       212.4315 0.000000       0.000000 4570.944       212.4315 ?        ?        394.2527 9.187422 0.000000       9.187422 
1 1 1 -9  19 16 o 484.8486 10.61160 6921.681       301.7433 0.000000       0.000000 6921.681       301.7433 ?        ?        484.8486 10.61160 0.000000       10.61160 
1 1 1 -9  19 17 o 265.4763 7.640203 2073.081       118.8308 0.000000       0.000000 2073.081       118.8308 ?        ?        265.4763 7.640203 0.000000       7.640203 
1 1 1 -9  19 18 o 277.4840 7.514000 2264.824       122.1687 0.000000       0.000000 2264.824       122.1687 ?        ?        277.4840 7.514000 0.000000       7.514000 
1 1 1 -9  19 19 o 538.8311 8.936959 8544.365       282.4184 11666.61       856.6956 8163.683       299.1404 622.6758 23.50142 526.5264 9.687338 96.14941       25.41970 
1 1 1 -9  19 20 o 253.5046 7.219799 1890.727       107.2306 2421.302       415.9802 1852.961       110.9814 281.9652 25.42807 250.9190 7.550231 31.04622       26.52532 
1 1 1 -9  19 21 o 364.8899 8.420031 3918.163       180.1881 3868.189       492.6786 3925.879       193.6006 357.5226 23.62935 365.1504 9.040335 -7.627808      25.29968 
1 1 1 -9  19 22 f 83.69875 15.44291 214.3419       73.01308 242.2670       410.3257 213.4288       74.19716 108.0080 43.06051 83.46040 15.73544 24.54760       45.84552 
1 1 1 -9  19 23 o 340.3793 7.547333 3407.502       150.6632 3028.927       462.2525 3452.499       159.3657 315.3006 25.20771 342.5663 7.932312 -27.26566      26.42632 
1 1 1 -9  19 24 o 174.1322 9.124110 895.4094       92.85436 1232.422       408.6133 877.0587       95.34886 195.5607 36.98151 172.2866 9.473012 23.27408       38.17551 
1 1 1 -9  19 25 o 130.8777 11.98110 510.1307       90.94380 658.1835       451.0790 503.8576       92.85049 142.4869 46.74909 130.0055 12.32509 12.48140       48.34651 
1 1 1 -9  19 26 o 86.89278 21.06721 235.4046       106.2345 121.1158       487.0868 241.1126       108.8551 106.7332 45.14812 87.91611 21.33178 18.81705       49.93393 
1 1 1 -9  19 27 o 242.9508 10.86267 1745.697       154.3853 0.000000       0.000000 1745.697       154.3853 ?        ?        242.9508 10.86267 0.000000       10.86267 
1 1 1 -9  19 28 o 74.47398 22.89661 168.5802       109.6925 0.000000       0.000000 168.5802       109.6925 ?        ?        74.47398 22.89661 0.000000       22.89661 
1 1 1 -9  19 29 o 135.5186 16.03120 555.0891       124.9493 0.000000       0.000000 555.0891       124.9493 ?        ?        135.5186 16.03120 0.000000       16.03120 
1 1 1 -9  19 30 o 191.1099 12.57928 1088.492       140.2064 0.000000       0.000000 1088.492       140.2064 ?        ?        191.1099 12.57928 0.000000       12.57928 
1 1 1 -9  19 31 o 332.7847 7.890599 3264.378       154.0011 4586.430       535.9365 3145.392       160.7819 385.8275 23.80065 326.4437 8.405041 59.38373       25.24115 
1 1 1 -9  19 32 o 100.2992 15.00652 307.1469       85.56428 705.7460       435.1011 291.1119       87.26837 140.9735 45.89252 97.38371 15.82250 43.58981       48.54354 
1 1 1 -9  19 33 o 232.5047 8.620708 1599.132       117.3471 1274.556       457.3017 1622.011       121.4126 189.6090 42.20943 234.1074 8.858952 -44.49834      43.12908 
1 1 1 -9  19 34 o 207.3860 8.914094 1274.958       108.1663 988.7546       457.5662 1291.898       111.3214 161.6014 46.05049 208.7101 9.116619 -47.10869      46.94423 
1 1 1 -9  19 35 f 193.5494 9.097486 1113.428       102.9786 931.7130       423.4149 1124.852       106.1663 154.9937 44.34126 194.4732 9.335700 -39.47948      45.31338 
1 1 1 -9  19 36 o 322.2105 8.450882 3082.354       159.5575 0.000000       0.000000 3082.354       159.5575 ?        ?        322.2105 8.450882 0.000000       8.450882 
1 1 1 -9  19 37 o 157.1099 10.52962 742.0060       96.46104 449.8520       421.6991 758.1367       99.08820 108.9292 43.57767 158.7506 10.70541 -49.82137      44.87337 
1 1 1 -9  19 38 o 138.1059 11.32473 577.7455       90.92065 1024.148       403.6559 553.8872       93.31870 155.9014 42.83508 134.9787 11.91041 20.92268       44.46012 
1 1 1 -9  19 39 o 79.17415 23.77510 212.9917       119.2210 -248.0266      370.5009 266.2413       125.9182 68.42678 32.71561 88.12598 23.80590 -19.69920      40.46026 
1 1 1 -9  19 40 o 158.5145 10.30152 759.8926       95.24935 758.5735       129.7097 761.4362       140.3211 156.2089 14.31754 155.7120 15.57441 0.4968872      21.15548 
1 1 1 -9  19 41 o 88.06364 18.52558 256.3045       92.64282 396.6404       134.9383 131.1742       127.4184 107.8488 22.07790 65.54490 24.55507 42.30388       33.02098 
1 1 1 -9  19 42 o 53.72222 20.43462 78.75504       89.01201 63.50425       119.8643 97.50556       132.9078 55.59433 22.86443 61.19071 24.46967 -5.596378      33.48951 
1 1 1 -9  19 43 o 76.58019 21.36777 204.3388       99.59246 269.3180       144.9850 146.2857       137.0405 85.08067 26.35263 67.22221 25.40442 17.85846       36.60390 
1 1 1 -9  19 44 o 35.76659 17.21368 -129.4675      106.4343 -390.2267      166.1322 52.07203       138.6180 36.54356 18.29768 56.05419 23.91169 -19.51064      30.10937 
1 1 1 -9  19 45 o 207.8466 10.88520 1325.339       132.2249 1397.249       200.3126 1269.811       176.0221 207.5174 16.59724 199.3612 15.16870 8.156174       22.48461 
1 1 1 -9  19 46 o 46.85194 21.26498 -25.02667      126.8092 -70.88795      195.7862 8.115839       166.4377 53.62833 25.07089 55.08936 24.74062 -1.461037      35.22283 
1 1 1 -9  20 1  o 461.4371 10.34636 6257.088       279.9951 0.000000       0.000000 6257.088       279.9951 ?        ?        461.4371 10.34636 0.000000       10.34636 
1 1 1 -9  20 2  o 496.2944 10.83260 7239.739       315.2989 0.000000       0.000000 7239.739       315.2989 ?        ?        496.2944 10.83260 0.000000       10.83260 
1 1 1 -9  20 3  o 308.4158 8.392994 2795.355       151.6702 0.000000       0.000000 2795.355       151.6702 ?        ?        308.4158 8.392994 0.000000       8.392994 
1 1 1 -9  20 4  o 243.1018 8.245276 1737.431       117.3856 0.000000       0.000000 1737.431       117.3856 ?        ?        243.1018 8.245276 0.000000       8.245276 
1 1 1 -9  20 5  o 432.9237 9.748620 5507.134       247.5170 0.000000       0.000000 5507.134       247.5170 ?        ?        432.9237 9.748620 0.000000       9.748620 
1 1 1 -9  20 6  o 523.2729 11.19340 8051.559       343.5110 0.000000       0.000000 8051.559       343.5110 ?        ?        523.2729 11.19340 0.000000       11.19340 
1 1 1 -9  20 7  f 478.3134 9.333414 6722.253       261.8205 0.000000       0.000000 6722.253       261.8205 ?        ?        478.3134 9.333414 0.000000       9.333414 
1 1 1 -9  20 8  o 423.0303 8.717257 5257.225       216.2728 0.000000       0.000000 5257.225       216.2728 ?        ?        423.0303 8.717257 0.000000       8.717257 
1 1 1 -9  20 9  o 382.7397 8.224514 4303.018       184.6138 0.000000       0.000000 4303.018       184.6138 ?        ?        382.7397 8.224514 0.000000       8.224514 
1 1 1 -9  20 10 o 389.2480 8.388373 4451.405       191.4938 0.000000       0.000000 4451.405       191.4938 ?        ?        389.2480 8.388373 0.000000       8.388373 
1 1 1 -9  20 11 o 273.3747 7.565578 2196.762       121.1806 0.000000       0.000000 2196.762       121.1806 ?        ?        273.3747 7.565578 0.000000       7.565578 
1 1 1 -9  20 12 o 347.7866 7.859309 3553.627       160.3052 0.000000       0.000000 3553.627       160.3052 ?        ?        347.7866 7.859309 0.000000       7.859309 
1 1 1 -9  20 13 o 366.6377 8.866521 3952.058       190.6518 0.000000       0.000000 3952.058       190.6518 ?        ?        366.6377 8.866521 0.000000       8.866521 
1 1 1 -9  20 14 o 997.0305 34.19301 30390.86       1996.426 0.000000       0.000000 30390.86       1996.426 ?        ?        997.0305 34.19301 0.000000       34.19301 
1 1 1 -9  20 15 o 345.8283 7.750395 3515.013       157.1936 0.000000       0.000000 3515.013       157.1936 ?        ?        345.8283 7.750395 0.000000       7.750395 
1 1 1 -9  20 16 o 395.9552 8.332259 4610.236       193.4904 0.000000       0.000000 4610.236       193.4904 ?        ?        395.9552 8.332259 0.000000       8.332259 
1 1 1 -9  20 17 o 158.9751 9.595243 746.6913       89.04488 0.000000       0.000000 746.6913       89.04488 ?        ?        158.9751 9.595243 0.000000       9.595243 
1 1 1 -9  20 18 o 382.0143 8.112679 4292.298       181.7584 0.000000       0.000000 4292.298       181.7584 ?        ?        382.0143 8.112679 0.000000       8.112679 
1 1 1 -9  20 19 o 305.3431 7.652588 2743.474       136.9319 0.000000       0.000000 2743.474       136.9319 ?        ?        305.3431 7.652588 0.000000       7.652588 
1 1 1 -9  20 20 o 381.1556 7.622611 4272.631       170.3949 4248.462       493.4874 4275.903       181.5615 375.2391 22.52796 381.2264 8.120639 -5.987335      23.94689 
1 1 1 -9  20 21 o 141.6887 10.01589 594.6566       82.69270 761.1241       375.2180 586.1586       84.77713 151.9030 41.12003 140.6192 10.35234 11.28375       42.40316 
1 1 1 -9  20 22 o 103.5363 13.14740 322.1131       78.03534 -81.12499      432.7326 335.6669       79.33598 91.18470 40.49124 105.7392 13.07137 -14.55451      42.54881 
1 1 1 -9  20 23 o 347.5727 8.018317 3554.317       163.4479 2924.415       535.5837 3619.006       171.6357 307.4120 30.09181 350.6729 8.345549 -43.26093      31.22764 
1 1 1 -9  20 24 o 207.7101 8.913059 1272.616       108.3236 1431.677       543.3568 1266.033       110.5426 206.6500 46.01506 207.1423 9.121718 -0.4922791     46.91046 
1 1 1 -9  20 25 o 75.00908 19.77662 174.4234       88.22240 -96.72379      535.7469 181.9809       89.44344 100.4905 44.81198 76.56644 19.77940 23.92403       48.98304 
1 1 1 -9  20 26 o 152.6594 10.99477 691.4719       97.77803 885.2572       473.8105 682.8521       99.92900 161.5335 47.11741 151.6471 11.31749 9.886322       48.45757 
1 1 1 -9  20 27 f 211.2118 11.31766 1322.043       139.6807 0.000000       0.000000 1322.043       139.6807 ?        ?        211.2118 11.31766 0.000000       11.31766 
1 1 1 -9  20 28 o 278.2551 10.56736 2290.507       172.1354 0.000000       0.000000 2290.507       172.1354 ?        ?        278.2551 10.56736 0.000000       10.56736 
1 1 1 -9  20 29 o 124.9546 17.23263 476.2187       122.9268 0.000000       0.000000 476.2187       122.9268 ?        ?        124.9546 17.23263 0.000000       17.23263 
1 1 1 -9  20 30 o 128.1599 17.15950 501.3132       125.7375 0.000000       0.000000 501.3132       125.7375 ?        ?        128.1599 17.15950 0.000000       17.15950 
1 1 1 -9  20 31 o 228.9384 8.285085 1548.248       111.0579 2192.956       435.5525 1503.417       114.8543 262.8411 28.72204 225.5103 8.700533 37.33084       30.01092 
1 1 1 -9  20 32 o 167.3710 10.09311 832.4622       98.61274 1881.379       438.3884 776.5587       101.2065 240.2820 31.89617 161.4881 10.74721 78.79387       33.65811 
1 1 1 -9  20 33 f 297.0434 8.162452 2608.310       142.0624 2525.021       465.4532 2616.865       149.1807 279.8824 28.76536 297.4111 8.561642 -17.52878      30.01246 
1 1 1 -9  20 34 o 247.4496 8.411094 1814.088       121.8872 1683.069       493.3058 1822.607       125.7873 216.0298 40.42149 247.9536 8.663305 -31.92371      41.33944 
1 1 1 -9  20 35 f 74.64185 19.13654 179.0154       84.15810 184.9245       398.6112 178.7397       86.09891 94.32214 40.40003 74.53510 19.48226 19.78704       44.85221 
1 1 1 -9  20 36 o 173.3534 9.632718 898.6620       97.54853 954.2288       448.4598 895.9023       99.94152 148.7984 46.38912 172.9951 9.891809 -24.19666      47.43204 
1 1 1 -9  20 37 o 156.1629 10.77071 735.0627       98.04025 0.6830883      463.2151 769.5031       100.3128 86.05541 39.64958 159.7966 10.76666 -73.74122      41.08540 
1 1 1 -9  20 38 o 143.9757 11.14001 627.7803       93.33322 -431.7711      413.3388 684.7062       95.80765 67.09472 32.67412 150.4828 10.93034 -83.38805      34.45389 
1 1 1 -9  20 39 o 130.1149 12.42154 519.3176       93.63882 495.8667       379.2893 520.8397       96.62989 106.7546 41.75871 130.1188 12.82927 -23.36417      43.68501 
1 1 1 -9  20 40 o 174.3048 9.809628 916.7050       99.87489 1023.970       137.7037 797.6517       145.0731 182.3812 12.95844 159.0630 15.75823 23.31828       20.40204 
1 1 1 -9  20 41 o 52.17100 20.39044 67.11201       90.37129 -17.84610      126.7422 154.9787       128.8935 48.50085 21.70025 68.73380 24.87550 -20.23295      33.01048 
1 1 1 -9  20 42 o 51.15627 20.40585 60.40825       92.19561 38.41936       128.4671 83.76056       132.3900 53.78069 22.98284 59.23976 24.15777 -5.459072      33.34380 
1 1 1 -9  20 43 o 60.28215 21.84631 115.9316       99.45668 162.9104       143.1338 72.07428       138.2968 69.35165 26.01615 58.17553 24.29766 11.17613       35.59798 
1 1 1 -9  20 44 o 65.41674 23.28206 145.4975       112.3874 236.1326       175.6490 82.67074       146.2412 78.66631 28.95014 59.83590 24.98807 18.83041       38.24283 
1 1 1 -9  20 45 o 108.8846 20.61414 411.0982       126.8193 700.0343       201.3654 221.1525       163.2671 137.0587 26.00219 76.21725 27.93408 60.84142       38.16315 
1 1 1 -9  20 46 f 70.10464 24.30129 178.7867       121.8885 457.9913       174.1036 -89.60694      170.6996 108.1452 27.41735 49.12083 23.10510 59.02432       35.85466 
1 1 1 -9  21 1  o 617.8240 10.38274 11221.33       376.2075 13004.04       734.2527 10586.73       438.0791 662.9012 18.90558 599.7689 12.45426 63.13226       22.63912 
1 1 1 -9  21 2  o 142.7957 9.700356 602.0010       80.75464 0.000000       0.000000 602.0010       80.75464 ?        ?        142.7957 9.700356 0.000000       9.700356 
1 1 1 -9  21 3  o 556.1565 9.533311 9089.861       310.9505 8342.888       502.2180 9554.233       395.9795 531.5030 16.13017 569.8493 11.84847 -38.34631      20.01421 
1 1 1 -9  21 4  o 343.6990 8.610933 3472.429       173.4351 0.000000       0.000000 3472.429       173.4351 ?        ?        343.6990 8.610933 0.000000       8.610933 
1 1 1 -9  21 5  o 398.8410 9.378044 4674.964       219.3626 0.000000       0.000000 4674.964       219.3626 ?        ?        398.8410 9.378044 0.000000       9.378044 
1 1 1 -9  21 6  o 311.4175 8.224263 2850.825       150.0757 0.000000       0.000000 2850.825       150.0757 ?        ?        311.4175 8.224263 0.000000       8.224263 
1 1 1 -9  21 7  o 193.4308 8.250925 1101.173       93.38564 0.000000       0.000000 1101.173       93.38564 ?        ?        193.4308 8.250925 0.000000       8.250925 
1 1 1 -9  21 8  o 83.37132 12.87940 209.5157       60.94709 0.000000       0.000000 209.5157       60.94709 ?        ?        83.37132 12.87940 0.000000       12.87940 
1 1 1 -9  21 9  o 283.9701 7.343626 2370.021       122.1994 0.000000       0.000000 2370.021       122.1994 ?        ?        283.9701 7.343626 0.000000       7.343626 
1 1 1 -9  21 10 o 526.8707 14.07714 8196.580       434.5898 0.000000       0.000000 8196.580       434.5898 ?        ?        526.8707 14.07714 0.000000       14.07714 
1 1 1 -9  21 11 f 200.1858 7.927222 1179.432       92.88494 0.000000       0.000000 1179.432       92.88494 ?        ?        200.1858 7.927222 0.000000       7.927222 
1 1 1 -9  21 12 o 188.1839 8.102609 1042.779       89.21523 0.000000       0.000000 1042.779       89.21523 ?        ?        188.1839 8.102609 0.000000       8.102609 
1 1 1 -9  21 13 o 346.4448 11.17140 3539.624       226.6857 0.000000       0.000000 3539.624       226.6857 ?        ?        346.4448 11.17140 0.000000       11.17140 
1 1 1 -9  21 14 o 375.4034 8.256420 4143.661       181.7777 0.000000       0.000000 4143.661       181.7777 ?        ?        375.4034 8.256420 0.000000       8.256420 
1 1 1 -9  21 15 o 82.85865 15.19683 209.4963       71.12785 0.000000       0.000000 209.4963       71.12785 ?        ?        82.85865 15.19683 0.000000       15.19683 
1 1 1 -9  21 16 o 296.8941 7.694217 2593.286       133.8599 0.000000       0.000000 2593.286       133.8599 ?        ?        296.8941 7.694217 0.000000       7.694217 
1 1 1 -9  21 17 o 189.0582 8.985554 1054.468       99.34504 0.000000       0.000000 1054.468       99.34504 ?        ?        189.0582 8.985554 0.000000       8.985554 
1 1 1 -9  21 18 o 144.5828 10.85591 619.9553       91.37984 0.000000       0.000000 619.9553       91.37984 ?        ?        144.5828 10.85591 0.000000       10.85591 
1 1 1 -9  21 19 o 131.3275 10.57283 511.8600       80.74476 0.000000       0.000000 511.8600       80.74476 ?        ?        131.3275 10.57283 0.000000       10.57283 
1 1 1 -9  21 20 o 265.4387 7.790373 2074.363       121.1443 0.000000       0.000000 2074.363       121.1443 ?        ?        265.4387 7.790373 0.000000       7.790373 
1 1 1 -9  21 21 o 111.0132 12.56632 368.8805       80.37807 1001.312       391.5603 341.0585       82.12704 174.9538 39.14188 106.5280 13.44418 68.42579       41.38639 
1 1 1 -9  21 22 f 146.7576 10.70499 638.6216       91.50400 468.4890       465.5111 645.4595       93.32472 127.7734 47.11091 147.5212 10.86297 -19.74773      48.34710 
1 1 1 -9  21 23 o 257.1791 8.251893 1948.294       124.3018 2598.634       572.4094 1916.109       127.3405 287.2419 34.67994 255.0048 8.526657 32.23715       35.71277 
1 1 1 -9  21 24 o 118.3283 13.73147 420.0461       93.52461 197.6582       539.1462 426.9457       94.96432 114.9984 47.99833 119.2895 13.82996 -4.291115      49.95105 
1 1 1 -9  21 25 o 75.13951 19.62617 175.2799       87.41674 -350.7320      519.8964 190.5839       88.67930 88.82117 41.29930 78.28571 19.41121 10.53545       45.63362 
1 1 1 -9  21 26 o 202.8876 11.16380 1219.791       132.3247 1885.634       507.2898 1171.179       137.0700 241.6819 36.96278 198.6656 11.81779 43.01630       38.80602 
1 1 1 -9  21 27 o 300.5820 10.24074 2670.743       180.2645 0.000000       0.000000 2670.743       180.2645 ?        ?        300.5820 10.24074 0.000000       10.24074 
1 1 1 -9  21 28 o 355.0070 8.619502 3716.095       179.4608 0.000000       0.000000 3716.095       179.4608 ?        ?        355.0070 8.619502 0.000000       8.619502 
1 1 1 -9  21 29 o 178.1656 12.74264 947.6882       132.2686 0.000000       0.000000 947.6882       132.2686 ?        ?        178.1656 12.74264 0.000000       12.74264 
1 1 1 -9  21 30 o 168.7784 10.31478 846.1351       101.6128 0.000000       0.000000 846.1351       101.6128 ?        ?        168.7784 10.31478 0.000000       10.31478 
1 1 1 -9  21 31 o 162.4412 10.22084 784.4049       96.87830 1326.568       438.5330 756.5881       99.33248 196.3722 39.44858 159.4226 10.68578 36.94954       40.87024 
1 1 1 -9  21 32 o 116.1014 13.53906 408.1166       90.46031 1025.511       440.0965 380.8814       92.43403 167.1663 44.21643 111.8708 14.42381 55.29544       46.50956 
1 1 1 -9  21 33 o 531.2659 9.334010 8365.790       290.8243 8399.781       733.1490 8359.442       316.8167 516.2349 24.28362 530.5262 10.18241 -14.29132      26.33203 
1 1 1 -9  21 34 o 150.8351 10.85687 682.2077       95.39861 444.3296       436.4779 694.1413       97.76227 112.9472 44.60938 152.1001 11.03455 -39.15296      45.95387 
1 1 1 -9  21 35 o 43.13387 18.31006 9.939701       80.58873 11.49494       472.3039 9.893064       81.78812 89.05894 40.66054 43.40872 18.43702 45.65022       44.64530 
1 1 1 -9  21 36 o 136.0139 11.61882 560.5020       91.79539 442.1405       451.9833 565.5942       93.74921 108.0221 44.41006 136.5578 11.82212 -28.53570      45.95667 
1 1 1 -9  21 37 o 46.54100 19.03550 33.55457       82.49833 -340.1141      465.9354 45.64826       83.82272 74.23216 35.79917 48.59806 19.43315 25.63410       40.73362 
1 1 1 -9  21 38 o 71.80421 19.99109 170.8329       87.27654 466.1203       417.8684 157.3641       89.24480 105.2403 42.91807 69.03463 20.53241 36.20567       47.57668 
1 1 1 -9  21 39 o 127.5882 13.23662 503.9302       97.60883 568.0939       386.6839 499.5635       100.8756 110.2726 42.42988 126.7480 13.79264 -16.47541      44.61537 
1 1 1 -9  21 40 o 165.4613 9.821237 827.3311       94.87568 865.4667       128.2435 781.2230       141.0126 167.2990 13.17677 157.3772 15.47802 9.921753       20.32723 
1 1 1 -9  21 41 o 130.4337 12.25139 525.7639       92.62135 645.2550       122.9791 369.1471       140.7935 142.9387 14.88797 101.9651 23.95361 40.97361       28.20332 
1 1 1 -9  21 42 o 113.1532 15.53470 410.8859       100.3725 496.4994       138.6172 316.5186       145.5315 121.1958 20.21351 92.32779 25.85494 28.86797       32.81865 
1 1 1 -9  21 43 o 111.1715 16.70648 403.6681       105.5597 352.9784       149.8384 453.6144       148.7357 97.10379 25.85364 112.9267 23.23340 -15.82291      34.75919 
1 1 1 -9  21 44 o 53.73813 22.19486 63.01715       113.5830 -17.79605      171.7774 125.7990       151.4056 54.08315 24.62625 64.59904 26.01873 -10.51589      35.82494 
1 1 1 -9  21 45 o 46.70636 20.90925 -8.923707      117.8508 193.3355       168.1180 -204.3442      165.2514 72.72704 27.97864 42.70953 20.76734 30.01751       34.84375 
1 1 1 -9  22 1  o 381.9064 9.033077 4286.655       202.3220 0.000000       0.000000 4286.655       202.3220 ?        ?        381.9064 9.033077 0.000000       9.033077 
1 1 1 -9  22 2  o 240.4090 8.093991 1699.836       113.9579 0.000000       0.000000 1699.836       113.9579 ?        ?        240.4090 8.093991 0.000000       8.093991 
1 1 1 -9  22 3  o 420.2955 9.642058 5193.673       237.6704 0.000000       0.000000 5193.673       237.6704 ?        ?        420.2955 9.642058 0.000000       9.642058 
1 1 1 -9  22 4  f 366.6216 9.052469 3950.802       194.6416 0.000000       0.000000 3950.802       194.6416 ?        ?        366.6216 9.052469 0.000000       9.052469 
1 1 1 -9  22 5  o 103.0058 11.00811 315.7704       65.47083 0.000000       0.000000 315.7704       65.47083 ?        ?        103.0058 11.00811 0.000000       11.00811 
1 1 1 -9  22 6  o 28.32917 13.31319 -60.31023      56.44851 0.000000       0.000000 -60.31023      56.44851 ?        ?        28.32917 13.31319 0.000000       13.31319 
1 1 1 -9  22 7  o 212.4437 8.356869 1328.428       103.9178 0.000000       0.000000 1328.428       103.9178 ?        ?        212.4437 8.356869 0.000000       8.356869 
1 1 1 -9  22 8  o 211.5876 7.752383 1317.174       96.03757 0.000000       0.000000 1317.174       96.03757 ?        ?        211.5876 7.752383 0.000000       7.752383 
1 1 1 -9  22 9  o 91.39314 12.93826 251.1566       67.41225 0.000000       0.000000 251.1566       67.41225 ?        ?        91.39314 12.93826 0.000000       12.93826 
1 1 1 -9  22 10 o 183.4911 8.138931 991.6009       87.36768 0.000000       0.000000 991.6009       87.36768 ?        ?        183.4911 8.138931 0.000000       8.138931 
1 1 1 -9  22 11 f 197.6104 7.914627 1149.632       91.54010 0.000000       0.000000 1149.632       91.54010 ?        ?        197.6104 7.914627 0.000000       7.914627 
1 1 1 -9  22 12 o 351.8955 7.991161 3640.361       164.9203 0.000000       0.000000 3640.361       164.9203 ?        ?        351.8955 7.991161 0.000000       7.991161 
1 1 1 -9  22 13 o 318.4477 7.942981 2981.488       148.3447 0.000000       0.000000 2981.488       148.3447 ?        ?        318.4477 7.942981 0.000000       7.942981 
1 1 1 -9  22 14 o 230.7863 7.795626 1567.771       105.3629 0.000000       0.000000 1567.771       105.3629 ?        ?        230.7863 7.795626 0.000000       7.795626 
1 1 1 -9  22 15 o 105.2636 11.96555 331.1982       72.55941 0.000000       0.000000 331.1982       72.55941 ?        ?        105.2636 11.96555 0.000000       11.96555 
1 1 1 -9  22 16 o 478.4911 10.76909 6751.550       302.2062 0.000000       0.000000 6751.550       302.2062 ?        ?        478.4911 10.76909 0.000000       10.76909 
1 1 1 -9  22 17 o 281.0780 8.789070 2327.912       144.7059 0.000000       0.000000 2327.912       144.7059 ?        ?        281.0780 8.789070 0.000000       8.789070 
1 1 1 -9  22 18 o 275.5653 7.769530 2235.429       125.4400 0.000000       0.000000 2235.429       125.4400 ?        ?        275.5653 7.769530 0.000000       7.769530 
1 1 1 -9  22 19 o 175.4672 9.511550 909.7206       97.51495 0.000000       0.000000 909.7206       97.51495 ?        ?        175.4672 9.511550 0.000000       9.511550 
1 1 1 -9  22 20 f 199.5740 9.220219 1175.584       107.6268 0.000000       0.000000 1175.584       107.6268 ?        ?        199.5740 9.220219 0.000000       9.220219 
1 1 1 -9  22 21 o 136.2314 11.72704 552.0394       92.78395 0.000000       0.000000 552.0394       92.78395 ?        ?        136.2314 11.72704 0.000000       11.72704 
1 1 1 -9  22 22 o 270.0195 8.421024 2147.890       133.1924 2286.767       577.3847 2140.085       136.8843 267.5122 37.85863 269.4905 8.672121 -1.978302      38.83917 
1 1 1 -9  22 23 o 70.08929 20.50492 150.1063       89.61770 130.4519       541.3815 150.6600       90.87137 111.6077 47.42023 70.25900 20.67332 41.34866       51.73069 
1 1 1 -9  22 24 o 219.6091 9.035055 1423.062       116.1190 844.3177       520.8998 1453.326       119.1163 157.7554 50.10771 221.9149 9.172156 -64.15953      50.94027 
1 1 1 -9  22 25 o 143.5047 11.38607 612.3759       95.04258 1181.590       543.8759 594.4459       96.52788 184.1097 49.36310 141.3103 11.75370 42.79941       50.74313 
1 1 1 -9  22 26 o 88.05554 18.35772 240.6381       91.72755 128.0154       531.0519 244.1015       93.12730 109.0798 46.67402 88.67069 18.50691 20.40915       50.20926 
1 1 1 -9  22 27 o 74.29715 19.98000 172.3407       88.93916 370.0378       493.7316 165.7104       90.41826 119.3673 47.34989 72.97133 20.35946 46.39602       51.54144 
1 1 1 -9  22 28 o 58.46595 22.99757 65.12864       115.5837 0.000000       0.000000 65.12864       115.5837 ?        ?        58.46595 22.99757 0.000000       22.99757 
1 1 1 -9  22 29 o 117.0534 17.83135 421.3911       118.5492 0.000000       0.000000 421.3911       118.5492 ?        ?        117.0534 17.83135 0.000000       17.83135 
1 1 1 -9  22 30 o 64.63288 20.47252 126.2260       87.00568 -2.705867      480.6406 130.5941       88.46721 95.91943 42.62918 65.59492 20.62635 30.32451       47.35709 
1 1 1 -9  22 31 o 299.7854 8.275789 2656.282       145.3633 4248.684       575.3380 2547.699       150.2376 366.1432 26.98256 293.4561 8.739146 72.68710       28.36249 
1 1 1 -9  22 32 o 109.7153 14.19421 367.0005       89.19495 533.1243       478.5088 361.0206       90.78611 123.5516 47.28579 108.6820 14.61330 14.86961       49.49236 
1 1 1 -9  22 33 o 51.83864 19.62453 63.82367       81.85880 390.6725       473.8024 53.76723       83.10857 111.1011 45.54993 50.38465 19.59339 60.71644       49.58526 
1 1 1 -9  22 34 o 306.2393 8.308810 2784.191       149.0901 1803.567       540.0290 2865.100       155.1187 213.1360 44.63543 310.5602 8.524693 -97.42429      45.44218 
1 1 1 -9  22 35 o 203.3785 9.276280 1235.216       110.3531 453.7412       446.8314 1285.977       113.8807 109.2422 44.44395 207.4802 9.383140 -98.23798      45.42365 
1 1 1 -9  22 36 o 199.0359 9.339199 1185.319       108.7123 1257.303       456.1624 1180.985       111.9376 170.7611 44.94511 198.5407 9.642208 -27.77953      45.96777 
1 1 1 -9  22 37 o 132.3819 12.19565 535.3519       93.62210 784.3729       434.9278 523.2526       95.86957 128.7906 45.80440 130.6608 12.66962 -1.870178      47.52433 
1 1 1 -9  22 38 o 188.7427 10.06182 1074.526       110.9749 259.0568       435.6324 1131.118       114.7611 91.95442 40.74081 193.6191 10.14175 -101.6647      41.98415 
1 1 1 -9  22 39 o 87.01573 18.78808 250.9534       93.06966 -511.5971      438.8981 286.8571       95.23549 65.10756 32.10272 93.59412 18.00361 -28.48656      36.80645 
1 1 1 -9  22 40 o 117.3308 13.76176 431.0615       92.89935 618.2003       131.3055 243.5000       131.4537 139.0163 16.42186 82.40205 25.01319 56.61420       29.92219 
1 1 1 -9  22 41 o 127.2679 13.69053 508.2537       100.5805 598.5268       139.5447 410.6462       145.1027 135.1337 18.05923 107.5896 23.64275 27.54410       29.75089 
1 1 1 -9  22 42 o 55.08088 21.18003 85.20783       96.30997 34.81940       128.1756 150.5454       145.9558 52.98193 22.80442 67.82782 26.07569 -14.84589      34.64077 
1 1 1 -9  22 43 o 106.5199 18.05340 378.5695       108.7586 432.6175       153.5212 324.1159       154.0961 108.5965 24.66831 91.72075 26.90297 16.87576       36.50062 
1 1 1 -9  22 44 o 185.9361 11.81763 1071.289       128.2010 858.3001       180.3076 1289.050       182.3163 158.9879 19.76283 200.0767 15.66214 -41.08888      25.21651 
1 1 1 -9  22 45 o 54.41128 22.91336 60.31704       124.5541 144.4323       178.2217 -19.99071      174.1414 67.50626 27.83381 53.78474 24.60649 13.72152       37.15105 
1 1 1 -9  23 1  o 232.7612 8.019643 1593.920       109.3118 0.000000       0.000000 1593.920       109.3118 ?        ?        232.7612 8.019643 0.000000       8.019643 
1 1 1 -9  23 2  f 559.9786 9.615164 9223.263       315.7757 10510.30       623.2083 8778.693       366.2754 595.2994 17.87060 545.9720 11.43897 49.32739       21.21812 
1 1 1 -9  23 3  o 192.7796 8.431417 1094.446       95.09563 0.000000       0.000000 1094.446       95.09563 ?        ?        192.7796 8.431417 0.000000       8.431417 
1 1 1 -9  23 4  o 555.2706 9.622074 9069.698       313.3459 9572.043       568.7109 8850.724       375.4798 568.2793 17.08333 548.1200 11.68047 20.15930       20.69477 
1 1 1 -9  23 5  o 92.16602 12.53029 254.9706       65.97780 0.000000       0.000000 254.9706       65.97780 ?        ?        92.16602 12.53029 0.000000       12.53029 
1 1 1 -9  23 6  f 537.0148 11.43406 8495.898       360.1118 0.000000       0.000000 8495.898       360.1118 ?        ?        537.0148 11.43406 0.000000       11.43406 
1 1 1 -9  23 7  o 505.8973 10.70983 7536.465       317.7572 0.000000       0.000000 7536.465       317.7572 ?        ?        505.8973 10.70983 0.000000       10.70983 
1 1 1 -9  23 8  o 197.7445 8.132871 1151.438       94.11764 0.000000       0.000000 1151.438       94.11764 ?        ?        197.7445 8.132871 0.000000       8.132871 
1 1 1 -9  23 9  o 324.9068 7.962589 3103.212       151.7273 0.000000       0.000000 3103.212       151.7273 ?        ?        324.9068 7.962589 0.000000       7.962589 
1 1 1 -9  23 10 o 388.4660 8.412686 4437.831       191.6630 0.000000       0.000000 4437.831       191.6630 ?        ?        388.4660 8.412686 0.000000       8.412686 
1 1 1 -9  23 11 f 383.8148 8.264528 4332.224       186.0332 0.000000       0.000000 4332.224       186.0332 ?        ?        383.8148 8.264528 0.000000       8.264528 
1 1 1 -9  23 12 o 132.5715 13.13244 524.2415       100.7644 0.000000       0.000000 524.2415       100.7644 ?        ?        132.5715 13.13244 0.000000       13.13244 
1 1 1 -9  23 13 o 294.2336 8.453034 2549.143       145.7152 0.000000       0.000000 2549.143       145.7152 ?        ?        294.2336 8.453034 0.000000       8.453034 
1 1 1 -9  23 14 o 137.3771 10.66827 559.7393       85.27929 0.000000       0.000000 559.7393       85.27929 ?        ?        137.3771 10.66827 0.000000       10.66827 
1 1 1 -9  23 15 o 441.6357 10.08530 5748.232       261.2183 0.000000       0.000000 5748.232       261.2183 ?        ?        441.6357 10.08530 0.000000       10.08530 
1 1 1 -9  23 16 o 240.5119 8.595432 1704.826       121.0475 0.000000       0.000000 1704.826       121.0475 ?        ?        240.5119 8.595432 0.000000       8.595432 
1 1 1 -9  23 17 o 64.27739 18.25847 126.4167       72.04475 0.000000       0.000000 126.4167       72.04475 ?        ?        64.27739 18.25847 0.000000       18.25847 
1 1 1 -9  23 18 o 188.8454 9.307035 1052.988       102.7610 0.000000       0.000000 1052.988       102.7610 ?        ?        188.8454 9.307035 0.000000       9.307035 
1 1 1 -9  23 19 o 200.1845 9.008996 1182.416       105.4977 0.000000       0.000000 1182.416       105.4977 ?        ?        200.1845 9.008996 0.000000       9.008996 
1 1 1 -9  23 20 o 73.62915 19.41994 167.8595       85.04868 0.000000       0.000000 167.8595       85.04868 ?        ?        73.62915 19.41994 0.000000       19.41994 
1 1 1 -9  23 21 o 182.0764 10.56899 980.9812       112.3743 0.000000       0.000000 980.9812       112.3743 ?        ?        182.0764 10.56899 0.000000       10.56899 
1 1 1 -9  23 22 o 272.3611 8.763690 2186.415       139.8031 0.000000       0.000000 2186.415       139.8031 ?        ?        272.3611 8.763690 0.000000       8.763690 
1 1 1 -9  23 23 o 54.79643 20.60088 67.86948       89.85357 0.000000       0.000000 67.86948       89.85357 ?        ?        54.79643 20.60088 0.000000       20.60088 
1 1 1 -9  23 24 o 227.0455 8.823352 1521.122       117.2653 1519.656       548.5336 1521.192       120.0404 211.4561 45.57607 227.0166 9.034154 -15.56055      46.46282 
1 1 1 -9  23 25 o 154.0667 11.13837 705.3542       99.96291 906.7875       537.1143 698.1267       101.7404 160.6694 50.86318 153.2225 11.40370 7.446915       52.12588 
1 1 1 -9  23 26 f 62.05331 22.45412 99.73557       105.0164 1275.801       555.4637 56.14000       106.9451 188.5311 49.58414 55.83945 22.07286 132.6916       54.27521 
1 1 1 -9  23 27 f 253.8291 10.96553 1911.092       162.8531 0.000000       0.000000 1911.092       162.8531 ?        ?        253.8291 10.96553 0.000000       10.96553 
1 1 1 -9  23 28 o 200.6029 11.88043 1198.482       139.1460 0.000000       0.000000 1198.482       139.1460 ?        ?        200.6029 11.88043 0.000000       11.88043 
1 1 1 -9  23 29 f 54.27773 20.43399 68.60210       88.47033 1581.526       544.7645 27.61921       89.66058 210.2612 45.50054 48.27349 19.80574 161.9877       49.62426 
1 1 1 -9  23 30 o 217.0750 9.690470 1397.939       123.0578 0.000000       0.000000 1397.939       123.0578 ?        ?        217.0750 9.690470 0.000000       9.690470 
1 1 1 -9  23 31 o 189.1711 9.773869 1063.895       108.0679 2529.506       535.3032 1001.624       110.3398 274.4100 33.98804 183.3974 10.30000 91.01256       35.51446 
1 1 1 -9  23 32 o 286.5600 8.134984 2432.250       136.5787 2740.351       530.1740 2410.350       141.3495 284.4768 32.35163 285.1495 8.461586 -0.6726990     33.43990 
1 1 1 -9  23 33 o 266.8120 8.221918 2112.758       128.5022 2336.729       518.1407 2098.080       132.6463 256.0140 35.46001 265.7652 8.521346 -9.751129      36.46952 
1 1 1 -9  23 34 o 212.6126 9.218591 1348.994       114.6755 837.4229       491.5375 1378.441       117.9298 135.6347 48.64299 214.8585 9.381420 -79.22385      49.53939 
1 1 1 -9  23 35 f 185.4796 10.06564 1032.670       109.0832 652.8855       481.7803 1053.191       111.9915 120.1848 47.04857 187.2446 10.23719 -67.05983      48.14944 
1 1 1 -9  23 36 o 89.75749 17.86004 260.2633       90.70815 240.2104       498.3613 260.9504       92.24906 95.98478 42.98172 89.75422 18.14947 6.230560       46.65653 
1 1 1 -9  23 37 o 71.78957 20.86553 172.2875       93.06625 526.2565       453.3442 156.7137       95.09155 107.5550 44.37390 68.74847 21.34984 38.80658       49.24286 
1 1 1 -9  23 38 o 114.0539 15.23627 411.0438       99.36814 -1.883143      496.4839 428.2749       101.4202 82.91597 39.12509 116.4647 15.21160 -33.54872      41.97815 
1 1 1 -9  23 39 o 75.47697 21.33823 195.4820       98.63560 154.5093       444.3653 197.6053       101.1592 85.00597 39.04491 75.76725 21.67266 9.238724       44.65656 
1 1 1 -9  23 40 o 115.5900 14.98600 424.8344       99.20230 240.2051       370.6635 439.0794       102.9582 85.00258 37.62452 117.3324 15.32824 -32.32980      40.62708 
1 1 1 -9  23 41 o 140.8692 12.88317 618.7707       105.2591 651.6677       142.6109 579.4030       156.0072 141.1034 17.61583 130.0912 21.17541 11.01215       27.54479 
1 1 1 -9  23 42 o 135.7771 13.87477 582.0084       108.9333 603.5906       144.0911 553.2189       166.4202 134.5320 18.77308 124.5062 23.65569 10.02572       30.19967 
1 1 1 -9  23 43 f 149.2618 13.77318 704.5996       119.2094 495.5677       159.6375 968.1024       179.2343 116.6050 24.13922 170.7588 18.17630 -54.15380      30.21721 
1 1 1 -9  23 44 o 57.28018 23.20129 86.88796       121.1482 279.5863       168.7499 -118.0606      174.0311 83.41317 28.60723 48.12453 22.84266 35.28864       36.60821 
1 1 1 -9  24 1  o 240.3382 8.159378 1699.985       114.8419 0.000000       0.000000 1699.985       114.8419 ?        ?        240.3382 8.159378 0.000000       8.159378 
1 1 1 -9  24 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  24 3  o 274.2719 8.256054 2213.592       132.6507 0.000000       0.000000 2213.592       132.6507 ?        ?        274.2719 8.256054 0.000000       8.256054 
1 1 1 -9  24 4  o 261.0854 8.207484 2006.033       125.5172 0.000000       0.000000 2006.033       125.5172 ?        ?        261.0854 8.207484 0.000000       8.207484 
1 1 1 -9  24 5  o 305.8709 8.418825 2753.146       150.8784 0.000000       0.000000 2753.146       150.8784 ?        ?        305.8709 8.418825 0.000000       8.418825 
1 1 1 -9  24 6  o 313.5981 8.633887 2894.607       158.6415 0.000000       0.000000 2894.607       158.6415 ?        ?        313.5981 8.633887 0.000000       8.633887 
1 1 1 -9  24 7  o 501.0055 10.85152 7396.087       318.8478 0.000000       0.000000 7396.087       318.8478 ?        ?        501.0055 10.85152 0.000000       10.85152 
1 1 1 -9  24 8  o 219.0310 8.213923 1412.767       105.3263 0.000000       0.000000 1412.767       105.3263 ?        ?        219.0310 8.213923 0.000000       8.213923 
1 1 1 -9  24 9  o 205.1944 7.993384 1239.974       96.00974 0.000000       0.000000 1239.974       96.00974 ?        ?        205.1944 7.993384 0.000000       7.993384 
1 1 1 -9  24 10 o 351.3472 8.088145 3630.621       166.6618 0.000000       0.000000 3630.621       166.6618 ?        ?        351.3472 8.088145 0.000000       8.088145 
1 1 1 -9  24 11 o 140.0572 15.84792 589.1634       127.8907 0.000000       0.000000 589.1634       127.8907 ?        ?        140.0572 15.84792 0.000000       15.84792 
1 1 1 -9  24 12 o 112.3570 11.38961 376.2572       74.01581 0.000000       0.000000 376.2572       74.01581 ?        ?        112.3570 11.38961 0.000000       11.38961 
1 1 1 -9  24 13 f 277.9905 8.408873 2276.117       136.9363 0.000000       0.000000 2276.117       136.9363 ?        ?        277.9905 8.408873 0.000000       8.408873 
1 1 1 -9  24 14 o 347.5098 9.055465 3558.439       184.3988 0.000000       0.000000 3558.439       184.3988 ?        ?        347.5098 9.055465 0.000000       9.055465 
1 1 1 -9  24 15 o 306.8416 8.826267 2774.251       158.6683 0.000000       0.000000 2774.251       158.6683 ?        ?        306.8416 8.826267 0.000000       8.826267 
1 1 1 -9  24 16 o 231.8575 9.268875 1585.925       125.7832 0.000000       0.000000 1585.925       125.7832 ?        ?        231.8575 9.268875 0.000000       9.268875 
1 1 1 -9  24 17 o 227.0072 9.281631 1520.369       123.3098 0.000000       0.000000 1520.369       123.3098 ?        ?        227.0072 9.281631 0.000000       9.281631 
1 1 1 -9  24 18 o 237.3448 9.850707 1662.954       136.8210 0.000000       0.000000 1662.954       136.8210 ?        ?        237.3448 9.850707 0.000000       9.850707 
1 1 1 -9  24 19 o 132.6356 12.86002 524.9991       98.78125 0.000000       0.000000 524.9991       98.78125 ?        ?        132.6356 12.86002 0.000000       12.86002 
1 1 1 -9  24 20 f 379.1593 9.001607 4233.543       200.1669 0.000000       0.000000 4233.543       200.1669 ?        ?        379.1593 9.001607 0.000000       9.001607 
1 1 1 -9  24 21 o 305.4705 8.498614 2749.110       152.1058 0.000000       0.000000 2749.110       152.1058 ?        ?        305.4705 8.498614 0.000000       8.498614 
1 1 1 -9  24 22 o 126.4006 13.23682 478.2550       96.67237 0.000000       0.000000 478.2550       96.67237 ?        ?        126.4006 13.23682 0.000000       13.23682 
1 1 1 -9  24 23 o 184.6962 10.30827 1010.032       111.2161 0.000000       0.000000 1010.032       111.2161 ?        ?        184.6962 10.30827 0.000000       10.30827 
1 1 1 -9  24 24 o 84.80219 19.63763 224.6873       95.74161 0.000000       0.000000 224.6873       95.74161 ?        ?        84.80219 19.63763 0.000000       19.63763 
1 1 1 -9  24 25 o 328.1733 8.654682 3178.114       166.4277 0.000000       0.000000 3178.114       166.4277 ?        ?        328.1733 8.654682 0.000000       8.654682 
1 1 1 -9  24 26 o 97.96744 17.36669 296.2807       96.12856 -89.99606      553.1782 308.3086       97.61372 99.27885 44.79966 100.0089 17.26657 -0.7300339     48.01192 
1 1 1 -9  24 27 o 199.4516 11.53324 1183.809       134.3331 2737.113       563.7490 1090.303       138.3173 290.1129 33.76374 191.1646 12.40424 98.94830       35.97020 
1 1 1 -9  24 28 o 246.8674 9.153683 1803.419       132.2992 0.000000       0.000000 1803.419       132.2992 ?        ?        246.8674 9.153683 0.000000       9.153683 
1 1 1 -9  24 29 o 183.8933 13.80262 1016.508       147.7737 0.000000       0.000000 1016.508       147.7737 ?        ?        183.8933 13.80262 0.000000       13.80262 
1 1 1 -9  24 30 o 160.7655 11.10633 772.3030       104.0727 2550.536       578.3411 712.7930       105.7998 272.4582 37.16132 154.2345 11.78568 118.2237       38.98545 
1 1 1 -9  24 31 o 122.5051 13.25829 455.6011       93.73972 0.000000       0.000000 455.6011       93.73972 ?        ?        122.5051 13.25829 0.000000       13.25829 
1 1 1 -9  24 32 o 155.2184 10.56415 722.4010       95.59433 907.5652       487.4997 714.9964       97.48697 145.2236 48.63321 154.3279 10.83984 -9.104233      49.82661 
1 1 1 -9  24 33 o 77.03453 19.31843 192.7810       87.11148 -288.4128      485.7797 208.7688       88.54680 78.86091 37.63753 80.24253 19.09364 -1.381622      42.20368 
1 1 1 -9  24 34 o 87.97163 18.72464 250.8155       93.63913 195.6690       498.5386 252.8322       95.33591 95.85984 42.95277 88.22780 18.98772 7.632042       46.96247 
1 1 1 -9  24 35 o 116.0501 14.65574 418.9601       97.52753 -259.9234      492.2368 446.6993       99.50008 78.09299 37.43659 119.9803 14.42973 -41.88729      40.12126 
1 1 1 -9  24 36 o 139.8056 12.68255 599.7454       102.8574 -385.9704      486.0621 645.9554       105.2408 72.98032 35.51594 145.2297 12.47681 -72.24940      37.64376 
1 1 1 -9  24 37 o 134.7141 13.11256 561.0730       102.2885 695.3376       528.3637 555.8450       104.2610 113.4700 47.44954 133.8981 13.45927 -20.42812      49.32150 
1 1 1 -9  24 38 o 115.1740 15.58204 421.7152       102.5543 -229.0350      516.2737 448.4482       104.6396 76.45756 37.06759 118.9424 15.35878 -42.48484      40.12354 
1 1 1 -9  24 39 o 103.4507 17.34003 349.5465       101.4850 26.62028       504.2839 363.1770       103.6047 81.55698 38.76121 105.4804 17.35051 -23.92344      42.46730 
1 1 1 -9  24 40 o 150.7363 12.48095 704.6483       109.3476 729.9912       420.6426 702.8116       113.2407 113.4004 44.08538 150.2082 12.98188 -36.80779      45.95705 
1 1 1 -9  24 41 o 72.58321 21.31594 184.7403       96.68771 180.8334       126.5190 190.2256       149.9124 71.32349 24.75669 72.93024 26.76103 -1.606750      36.45609 
1 1 1 -9  24 42 o 50.00281 21.15718 39.13794       107.0153 27.27316       140.8000 55.36734       164.6738 53.59279 23.47398 58.89137 25.59708 -5.298584      34.73094 
1 1 1 -9  24 43 o 118.5272 17.78466 468.1504       119.8165 454.5505       156.6118 487.3457       186.0602 110.7880 24.73057 110.8424 28.47295 -0.5434418E-01 37.71353 
1 1 1 -9  25 1  o 264.8994 8.328408 2065.725       129.2271 0.000000       0.000000 2065.725       129.2271 ?        ?        264.8994 8.328408 0.000000       8.328408 
1 1 1 -9  25 2  o 545.7111 10.75012 8775.331       344.0541 10435.47       621.5865 8042.054       413.1082 592.2822 17.91521 521.5062 13.51824 70.77600       22.44320 
1 1 1 -9  25 3  o 226.2797 8.272291 1507.834       109.5949 0.000000       0.000000 1507.834       109.5949 ?        ?        226.2797 8.272291 0.000000       8.272291 
1 1 1 -9  25 4  o 327.7397 18.07577 3203.592       346.0917 3203.592       346.0917 0.000000       0.000000 327.7397 18.07577 ?        ?        0.000000       18.07577 
1 1 1 -9  25 5  o 129.3582 10.00359 495.7607       75.30351 1141.724       282.9481 446.5194       78.12097 193.0083 25.62942 122.5898 10.98205 70.41856       27.88320 
1 1 1 -9  25 6  o 198.8452 8.382195 1165.167       97.53224 1154.458       307.8522 1166.362       102.8293 193.2588 27.97408 198.8929 8.837567 -5.634109      29.33687 
1 1 1 -9  25 7  o 409.7665 9.595080 4944.688       230.5874 0.000000       0.000000 4944.688       230.5874 ?        ?        409.7665 9.595080 0.000000       9.595080 
1 1 1 -9  25 8  o 300.3484 8.085505 2655.372       142.2944 0.000000       0.000000 2655.372       142.2944 ?        ?        300.3484 8.085505 0.000000       8.085505 
1 1 1 -9  25 9  o 450.2239 9.114211 5967.853       240.6568 0.000000       0.000000 5967.853       240.6568 ?        ?        450.2239 9.114211 0.000000       9.114211 
1 1 1 -9  25 10 o 146.6884 9.721436 636.6481       83.16098 0.000000       0.000000 636.6481       83.16098 ?        ?        146.6884 9.721436 0.000000       9.721436 
1 1 1 -9  25 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  25 12 o 45.89466 17.65899 42.08681       66.97980 0.000000       0.000000 42.08681       66.97980 ?        ?        45.89466 17.65899 0.000000       17.65899 
1 1 1 -9  25 13 o 247.6081 8.158197 1805.948       118.3086 0.000000       0.000000 1805.948       118.3086 ?        ?        247.6081 8.158197 0.000000       8.158197 
1 1 1 -9  25 14 o 230.0277 8.719208 1559.937       117.4142 0.000000       0.000000 1559.937       117.4142 ?        ?        230.0277 8.719208 0.000000       8.719208 
1 1 1 -9  25 15 o 123.0375 11.50113 450.7586       82.02883 0.000000       0.000000 450.7586       82.02883 ?        ?        123.0375 11.50113 0.000000       11.50113 
1 1 1 -9  25 16 o 33.97600 15.93613 -81.58779      80.21093 0.000000       0.000000 -81.58779      80.21093 ?        ?        33.97600 15.93613 0.000000       15.93613 
1 1 1 -9  25 17 o 336.6949 8.917608 3340.136       175.9353 0.000000       0.000000 3340.136       175.9353 ?        ?        336.6949 8.917608 0.000000       8.917608 
1 1 1 -9  25 18 o 240.1772 13.33771 1712.206       187.1349 0.000000       0.000000 1712.206       187.1349 ?        ?        240.1772 13.33771 0.000000       13.33771 
1 1 1 -9  25 19 o 118.2292 14.45912 420.3911       98.17364 0.000000       0.000000 420.3911       98.17364 ?        ?        118.2292 14.45912 0.000000       14.45912 
1 1 1 -9  25 20 o 164.3518 11.08125 801.0461       106.1861 0.000000       0.000000 801.0461       106.1861 ?        ?        164.3518 11.08125 0.000000       11.08125 
1 1 1 -9  25 21 o 40.77947 18.22278 -35.37936      89.07898 0.000000       0.000000 -35.37936      89.07898 ?        ?        40.77947 18.22278 0.000000       18.22278 
1 1 1 -9  25 22 o 386.3261 9.037830 4399.424       204.7712 0.000000       0.000000 4399.424       204.7712 ?        ?        386.3261 9.037830 0.000000       9.037830 
1 1 1 -9  25 23 o 208.2970 10.02699 1284.115       122.1313 0.000000       0.000000 1284.115       122.1313 ?        ?        208.2970 10.02699 0.000000       10.02699 
1 1 1 -9  25 24 o 106.7558 16.58273 348.7573       100.4563 0.000000       0.000000 348.7573       100.4563 ?        ?        106.7558 16.58273 0.000000       16.58273 
1 1 1 -9  25 25 o 267.8666 8.971558 2120.328       140.7420 0.000000       0.000000 2120.328       140.7420 ?        ?        267.8666 8.971558 0.000000       8.971558 
1 1 1 -9  25 26 o 52.10365 21.59801 27.14263       108.0926 0.000000       0.000000 27.14263       108.0926 ?        ?        52.10365 21.59801 0.000000       21.59801 
1 1 1 -9  25 27 o 96.30280 21.99676 294.6898       121.5043 945.7068       572.7283 264.0082       124.3345 157.6570 52.71191 90.91104 23.23507 66.74597       57.60568 
1 1 1 -9  25 28 o 213.5928 12.27927 1363.088       153.1706 0.000000       0.000000 1363.088       153.1706 ?        ?        213.5928 12.27927 0.000000       12.27927 
1 1 1 -9  25 29 o 339.1141 8.615955 3403.679       171.2174 3323.422       583.4865 3411.241       179.1018 317.3593 31.77633 339.3452 9.007245 -21.98587      33.02825 
1 1 1 -9  25 30 o 422.5043 8.642050 5288.612       214.1403 7399.873       713.0236 5079.305       224.5042 480.9182 25.37004 413.7505 9.251997 67.16763       27.00442 
1 1 1 -9  25 31 o 179.1890 9.744509 958.6326       102.0198 1929.624       514.6556 918.9171       104.0853 227.7377 39.99119 175.2882 10.16845 52.44949       41.26369 
1 1 1 -9  25 32 o 108.0764 14.28314 360.6582       88.31851 972.5275       482.4443 339.4418       89.83667 147.4370 48.34565 104.4981 15.09569 42.93884       50.64763 
1 1 1 -9  25 33 o 98.58693 16.70066 307.8006       93.11784 565.8719       505.2782 298.7276       94.74057 115.0680 47.09172 96.83431 17.31808 18.23371       50.17515 
1 1 1 -9  25 34 o 49.46481 20.18024 40.97165       92.43154 -133.5390      511.3459 46.86633       93.97967 83.26080 39.41302 50.56284 20.45130 32.69796       44.40318 
1 1 1 -9  25 35 o 72.91523 21.53006 177.7689       98.41563 334.9777       523.4457 172.0080       100.2026 99.25883 44.27655 71.80866 21.84685 27.45017       49.37304 
1 1 1 -9  25 36 o 151.3270 11.99755 700.8978       105.6070 690.8096       522.9609 701.3267       107.8286 113.7519 47.35908 151.2335 12.26235 -37.48164      48.92083 
1 1 1 -9  25 37 o 54.58360 21.01443 78.18668       94.89088 -224.1353      519.0504 88.64021       96.51747 76.98109 37.28476 56.40585 21.31929 20.57524       42.94956 
1 1 1 -9  25 38 o 105.3741 16.59517 359.0218       99.16866 979.8718       584.4460 340.6168       100.6278 120.9064 50.17879 102.1159 17.42746 18.79046       53.11899 
1 1 1 -9  25 39 o 41.00208 18.77570 -44.25210      101.7001 -619.7108      529.3711 -22.19903      103.6305 67.02390 33.42147 43.39883 19.50369 23.62506       38.69611 
1 1 1 -9  25 40 o 47.36644 20.09758 28.37420       97.01650 461.6093       554.4485 14.69069       98.53670 94.02331 43.34166 46.03612 19.90567 47.98719       47.69419 
1 1 1 -9  25 41 o 283.8331 8.313034 2423.847       138.2308 2244.973       177.2022 2701.886       220.9264 270.3709 11.19953 294.6116 12.81704 -24.24066      17.02075 
1 1 1 -9  25 42 o 55.05993 22.18513 77.81983       110.1220 69.66105       144.5798 89.09319       169.9503 57.88747 24.54686 62.13887 26.49099 -4.251396      36.11538 
1 1 1 -9  25 43 o 125.2666 16.60626 516.2496       118.9970 387.3792       156.4478 693.1501       183.2979 100.0779 26.31191 138.6401 23.37372 -38.56219      35.19442 
1 1 1 -9  26 1  o 155.6903 9.788314 716.7878       88.92348 0.000000       0.000000 716.7878       88.92348 ?        ?        155.6903 9.788314 0.000000       9.788314 
1 1 1 -9  26 2  o 37.43523 15.82463 3.470924       59.77522 461.1356       285.1899 -17.55874      61.13313 120.7906 36.87813 34.81842 15.35151 85.97220       39.94578 
1 1 1 -9  26 3  o 282.4465 7.799044 2347.899       129.0661 2114.395       312.8932 2395.776       141.6813 265.2088 20.27034 285.2197 8.479395 -20.01083      21.97241 
1 1 1 -9  26 4  o 267.4326 8.599464 2106.862       134.7012 0.000000       0.000000 2106.862       134.7012 ?        ?        267.4326 8.599464 0.000000       8.599464 
1 1 1 -9  26 5  o 355.6512 9.037079 3726.193       188.3436 0.000000       0.000000 3726.193       188.3436 ?        ?        355.6512 9.037079 0.000000       9.037079 
1 1 1 -9  26 6  o 410.0820 17.89447 5017.760       429.3322 5017.760       429.3322 0.000000       0.000000 410.0820 17.89447 ?        ?        0.000000       17.89447 
1 1 1 -9  26 7  o 343.6432 8.168536 3474.338       164.6275 4146.236       415.9633 3349.547       179.2649 372.1990 19.11997 337.1647 9.073977 35.03430       21.16389 
1 1 1 -9  26 8  o 256.4131 8.727301 1937.599       131.0501 0.000000       0.000000 1937.599       131.0501 ?        ?        256.4131 8.727301 0.000000       8.727301 
1 1 1 -9  26 9  o 263.7637 8.745517 2050.292       135.0984 0.000000       0.000000 2050.292       135.0984 ?        ?        263.7637 8.745517 0.000000       8.745517 
1 1 1 -9  26 10 o 278.7468 26.78699 2381.421       432.5250 0.000000       0.000000 2381.421       432.5250 ?        ?        278.7468 26.78699 0.000000       26.78699 
1 1 1 -9  26 11 o 169.3405 9.450689 847.3716       93.48643 0.000000       0.000000 847.3716       93.48643 ?        ?        169.3405 9.450689 0.000000       9.450689 
1 1 1 -9  26 12 o 85.27463 14.95482 221.8056       72.06567 0.000000       0.000000 221.8056       72.06567 ?        ?        85.27463 14.95482 0.000000       14.95482 
1 1 1 -9  26 13 o 362.7958 8.313166 3873.395       176.8802 0.000000       0.000000 3873.395       176.8802 ?        ?        362.7958 8.313166 0.000000       8.313166 
1 1 1 -9  26 14 o 36.01191 16.36037 -44.35723      75.27769 0.000000       0.000000 -44.35723      75.27769 ?        ?        36.01191 16.36037 0.000000       16.36037 
1 1 1 -9  26 15 o 50.84315 19.78368 49.05020       84.77091 0.000000       0.000000 49.05020       84.77091 ?        ?        50.84315 19.78368 0.000000       19.78368 
1 1 1 -9  26 16 o 480.3560 21.64955 6942.434       608.3380 0.000000       0.000000 6942.434       608.3380 ?        ?        480.3560 21.64955 0.000000       21.64955 
1 1 1 -9  26 17 o 388.2458 10.38531 4448.424       236.2580 0.000000       0.000000 4448.424       236.2580 ?        ?        388.2458 10.38531 0.000000       10.38531 
1 1 1 -9  26 18 o 92.15889 18.07077 261.8824       94.17858 0.000000       0.000000 261.8824       94.17858 ?        ?        92.15889 18.07077 0.000000       18.07077 
1 1 1 -9  26 19 o 40.99133 18.20600 -29.63002      87.52562 0.000000       0.000000 -29.63002      87.52562 ?        ?        40.99133 18.20600 0.000000       18.20600 
1 1 1 -9  26 20 o 166.0017 11.01504 817.6321       106.6316 0.000000       0.000000 817.6321       106.6316 ?        ?        166.0017 11.01504 0.000000       11.01504 
1 1 1 -9  26 21 o 102.7689 16.06403 322.1001       93.65292 0.000000       0.000000 322.1001       93.65292 ?        ?        102.7689 16.06403 0.000000       16.06403 
1 1 1 -9  26 22 o 221.9468 9.618168 1456.910       124.8992 0.000000       0.000000 1456.910       124.8992 ?        ?        221.9468 9.618168 0.000000       9.618168 
1 1 1 -9  26 23 o 137.3502 13.50493 566.2728       107.3804 0.000000       0.000000 566.2728       107.3804 ?        ?        137.3502 13.50493 0.000000       13.50493 
1 1 1 -9  26 24 o 39.46446 18.01802 -57.00391      92.74852 0.000000       0.000000 -57.00391      92.74852 ?        ?        39.46446 18.01802 0.000000       18.01802 
1 1 1 -9  26 25 o 205.5732 9.962715 1253.007       119.7567 0.000000       0.000000 1253.007       119.7567 ?        ?        205.5732 9.962715 0.000000       9.962715 
1 1 1 -9  26 26 f 264.7422 11.08295 2082.846       171.6990 0.000000       0.000000 2082.846       171.6990 ?        ?        264.7422 11.08295 0.000000       11.08295 
1 1 1 -9  26 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  26 28 o 73.53955 24.22204 165.7949       121.0496 0.000000       0.000000 165.7949       121.0496 ?        ?        73.53955 24.22204 0.000000       24.22204 
1 1 1 -9  26 29 o 117.8514 15.10577 426.3494       102.0090 0.000000       0.000000 426.3494       102.0090 ?        ?        117.8514 15.10577 0.000000       15.10577 
1 1 1 -9  26 30 o 153.3758 11.27942 707.5572       100.7501 0.000000       0.000000 707.5572       100.7501 ?        ?        153.3758 11.27942 0.000000       11.27942 
1 1 1 -9  26 31 o 97.51183 16.13992 298.6436       89.07551 1317.255       477.6085 261.9360       90.66631 177.7060 45.60285 90.61086 17.69647 87.09513       48.91611 
1 1 1 -9  26 32 o 61.46940 20.49541 117.0339       86.59496 755.7374       488.6152 96.32246       87.98777 127.7435 48.03679 57.75220 20.59537 69.99129       52.26569 
1 1 1 -9  26 33 o 50.13511 20.09941 48.78157       89.90656 -665.3190      534.3814 69.58381       91.20669 71.48980 35.28232 53.50236 20.60132 17.98744       40.85654 
1 1 1 -9  26 34 o 92.34905 19.30851 280.1582       101.2056 136.5362       480.8471 286.8154       103.5246 89.76299 40.99900 93.35616 19.53646 -3.593170      45.41576 
1 1 1 -9  26 35 f 78.04208 20.73724 205.7170       96.52145 668.8637       479.5587 186.1627       98.53797 114.1358 46.18615 74.14719 21.44643 39.98858       50.92258 
1 1 1 -9  26 36 o 37.74020 17.54861 -65.60054      93.87835 35.68156       500.5105 -69.29364      95.57459 83.79432 39.46084 37.84486 17.63398 45.94946       43.22170 
1 1 1 -9  26 37 o 72.39848 21.18031 179.5959       95.61890 -442.0315      531.4638 200.3910       97.20509 71.72951 35.35988 76.38280 21.03354 -4.653297      41.14281 
1 1 1 -9  26 38 o 127.6969 15.55930 521.1008       114.1226 192.3182       540.7331 536.4285       116.7525 86.83776 40.93152 129.4914 15.69345 -42.65365      43.83690 
1 1 1 -9  26 39 o 71.00335 22.78419 177.6538       107.4844 284.8846       586.5313 173.9276       109.3359 88.69079 42.05036 70.32771 23.01257 18.36308       47.93549 
1 1 1 -9  26 40 o 62.34042 25.33834 107.3424       145.0730 219.5724       513.6667 97.61448       151.2298 84.41566 39.82166 61.81877 25.57869 22.59690       47.32900 
1 1 1 -9  26 41 o 80.60877 22.17170 234.1828       108.0799 457.9945       143.2708 -61.38913      164.6447 113.5901 22.30274 50.14500 23.29047 63.44506       32.24683 
1 1 1 -9  26 42 o 158.0989 13.75688 791.5972       126.2867 1018.964       174.8034 543.3672       182.6475 176.0275 17.14960 119.0652 26.80445 56.96230       31.82117 
1 1 1 -9  27 1  o 151.0270 9.662099 674.7020       85.13200 1275.103       269.7281 608.2747       89.71793 204.6839 22.85924 143.2120 10.76062 61.47189       25.26530 
1 1 1 -9  27 2  o 168.4882 9.287464 838.5800       91.41846 1158.230       305.9026 807.2322       95.79630 193.2806 27.78380 165.2114 9.932724 28.06915       29.50590 
1 1 1 -9  27 3  o 547.1452 11.80069 8840.524       378.6696 0.000000       0.000000 8840.524       378.6696 ?        ?        547.1452 11.80069 0.000000       11.80069 
1 1 1 -9  27 4  o 169.6881 10.07968 851.6503       99.85902 0.000000       0.000000 851.6503       99.85902 ?        ?        169.6881 10.07968 0.000000       10.07968 
1 1 1 -9  27 5  o 437.6185 8.769260 5637.814       225.0656 5875.583       460.4222 5563.162       257.9897 443.7494 17.72731 434.4290 10.12589 9.320435       20.41546 
1 1 1 -9  27 6  o 340.3760 9.199079 3414.504       183.4659 0.000000       0.000000 3414.504       183.4659 ?        ?        340.3760 9.199079 0.000000       9.199079 
1 1 1 -9  27 7  o 228.2908 9.231932 1537.433       123.3487 0.000000       0.000000 1537.433       123.3487 ?        ?        228.2908 9.231932 0.000000       9.231932 
1 1 1 -9  27 8  o 223.5044 28.83477 1549.109       369.1684 1549.109       369.1684 0.000000       0.000000 223.5044 28.83477 ?        ?        0.000000       28.83477 
1 1 1 -9  27 9  o 495.7888 10.03207 7245.328       291.7009 0.000000       0.000000 7245.328       291.7009 ?        ?        495.7888 10.03207 0.000000       10.03207 
1 1 1 -9  27 10 o 74.26914 18.91539 170.9761       82.60229 0.000000       0.000000 170.9761       82.60229 ?        ?        74.26914 18.91539 0.000000       18.91539 
1 1 1 -9  27 11 o 140.3512 11.32701 585.1351       92.44427 0.000000       0.000000 585.1351       92.44427 ?        ?        140.3512 11.32701 0.000000       11.32701 
1 1 1 -9  27 12 o 217.7727 9.422220 1399.572       120.0545 0.000000       0.000000 1399.572       120.0545 ?        ?        217.7727 9.422220 0.000000       9.422220 
1 1 1 -9  27 13 o 94.23589 16.03010 270.8759       85.42434 0.000000       0.000000 270.8759       85.42434 ?        ?        94.23589 16.03010 0.000000       16.03010 
1 1 1 -9  27 14 o 457.1703 23.63599 6320.836       631.5756 0.000000       0.000000 6320.836       631.5756 ?        ?        457.1703 23.63599 0.000000       23.63599 
1 1 1 -9  27 15 o 197.1580 10.72062 1150.095       123.4945 0.000000       0.000000 1150.095       123.4945 ?        ?        197.1580 10.72062 0.000000       10.72062 
1 1 1 -9  27 16 o 245.8486 9.784458 1784.409       140.7948 0.000000       0.000000 1784.409       140.7948 ?        ?        245.8486 9.784458 0.000000       9.784458 
1 1 1 -9  27 17 o 60.24265 21.48678 94.84349       95.77274 0.000000       0.000000 94.84349       95.77274 ?        ?        60.24265 21.48678 0.000000       21.48678 
1 1 1 -9  27 18 o 147.3833 13.16019 648.6335       112.5570 0.000000       0.000000 648.6335       112.5570 ?        ?        147.3833 13.16019 0.000000       13.16019 
1 1 1 -9  27 19 o 134.1396 13.72290 539.3924       106.4378 0.000000       0.000000 539.3924       106.4378 ?        ?        134.1396 13.72290 0.000000       13.72290 
1 1 1 -9  27 20 o 41.54173 18.65713 -41.53099      94.66029 0.000000       0.000000 -41.53099      94.66029 ?        ?        41.54173 18.65713 0.000000       18.65713 
1 1 1 -9  27 21 o 110.8906 36.32708 393.1196       272.4195 0.000000       0.000000 393.1196       272.4195 ?        ?        110.8906 36.32708 0.000000       36.32708 
1 1 1 -9  27 22 o 169.8611 11.24146 858.3354       111.3570 0.000000       0.000000 858.3354       111.3570 ?        ?        169.8611 11.24146 0.000000       11.24146 
1 1 1 -9  27 23 o 57.31245 21.07388 82.01147       93.04285 0.000000       0.000000 82.01147       93.04285 ?        ?        57.31245 21.07388 0.000000       21.07388 
1 1 1 -9  27 24 o 69.89926 21.45551 150.2271       96.36715 0.000000       0.000000 150.2271       96.36715 ?        ?        69.89926 21.45551 0.000000       21.45551 
1 1 1 -9  27 25 o 156.0765 12.56017 729.8143       113.9997 0.000000       0.000000 729.8143       113.9997 ?        ?        156.0765 12.56017 0.000000       12.56017 
1 1 1 -9  27 26 o 91.22714 22.97646 267.5632       122.8438 0.000000       0.000000 267.5632       122.8438 ?        ?        91.22714 22.97646 0.000000       22.97646 
1 1 1 -9  27 27 o 185.7821 11.20030 1031.138       121.4682 0.000000       0.000000 1031.138       121.4682 ?        ?        185.7821 11.20030 0.000000       11.20030 
1 1 1 -9  27 28 o 215.5766 11.90174 1394.328       149.8904 0.000000       0.000000 1394.328       149.8904 ?        ?        215.5766 11.90174 0.000000       11.90174 
1 1 1 -9  27 29 o 163.9217 11.03131 807.0953       105.4334 0.000000       0.000000 807.0953       105.4334 ?        ?        163.9217 11.03131 0.000000       11.03131 
1 1 1 -9  27 30 o 61.41173 21.23849 112.8985       93.07726 0.000000       0.000000 112.8985       93.07726 ?        ?        61.41173 21.23849 0.000000       21.23849 
1 1 1 -9  27 31 o 37.33794 17.13530 -51.05977      85.33305 0.000000       0.000000 -51.05977      85.33305 ?        ?        37.33794 17.13530 0.000000       17.13530 
1 1 1 -9  27 32 o 152.5192 11.25753 704.2260       99.98772 1134.930       570.5574 690.5795       101.5594 146.9150 52.43965 150.8970 11.56407 -3.982025      53.69958 
1 1 1 -9  27 33 o 68.46098 21.18504 154.3577       93.72403 -180.7918      542.7631 164.6584       95.15342 82.31974 39.42236 70.45673 21.25868 11.86301       44.78899 
1 1 1 -9  27 34 o 125.1033 14.27022 488.4643       102.8306 143.4566       535.6364 501.6664       104.7796 90.08251 41.89732 126.7601 14.34619 -36.67760      44.28542 
1 1 1 -9  27 35 o 139.1016 13.01722 598.3715       104.9607 695.0314       539.5430 594.5696       107.0050 111.9246 47.43836 138.4781 13.34058 -26.55356      49.27848 
1 1 1 -9  27 36 o 91.98766 19.00135 282.1651       99.11520 -169.3426      540.1022 297.9003       100.8275 78.52991 38.03454 94.68423 18.82039 -16.15432      42.43623 
1 1 1 -9  27 37 o 70.67470 22.40570 173.3108       104.1932 633.4636       507.7469 153.0820       106.4588 104.5441 45.19489 67.12526 22.72770 37.41885       50.58780 
1 1 1 -9  27 38 o 38.50101 18.11688 -83.87042      105.1310 -950.8191      525.3757 -47.70752      107.3013 61.01232 30.80688 41.75741 19.18240 19.25491       36.29089 
1 1 1 -9  27 39 o 63.70537 22.71508 135.7753       107.0277 -659.1896      472.8405 178.7044       109.8795 61.77653 30.92285 70.95200 23.05990 -9.175472      38.57437 
1 1 1 -9  27 40 f 69.44551 23.67892 172.6081       115.5791 72.41739       466.4225 179.1628       119.2999 77.39848 36.92308 70.48503 24.05654 6.913452       44.06848 
1 1 1 -9  27 41 o 126.3568 33.14061 689.2023       248.5815 305.1687       440.0393 869.1946       301.2547 84.53523 38.83813 137.0525 36.73483 -52.51727      53.45885 
1 1 1 -9  28 1  o 145.7491 10.61950 629.7526       90.15096 1076.784       280.9193 578.4291       95.18549 186.7099 26.38931 139.4761 11.74548 47.23383       28.88515 
1 1 1 -9  28 2  o 368.5547 8.552556 3997.974       184.8623 3604.868       339.9174 4163.073       220.2877 347.7673 16.71504 375.6994 10.00659 -27.93210      19.48139 
1 1 1 -9  28 3  o 314.6917 9.442972 2919.750       174.0816 0.000000       0.000000 2919.750       174.0816 ?        ?        314.6917 9.442972 0.000000       9.442972 
1 1 1 -9  28 4  o 190.4239 10.22440 1072.019       113.7665 0.000000       0.000000 1072.019       113.7665 ?        ?        190.4239 10.22440 0.000000       10.22440 
1 1 1 -9  28 5  o 251.8361 9.592423 1871.173       141.4172 0.000000       0.000000 1871.173       141.4172 ?        ?        251.8361 9.592423 0.000000       9.592423 
1 1 1 -9  28 6  o 29.54849 14.35382 -134.7217      78.42750 0.000000       0.000000 -134.7217      78.42750 ?        ?        29.54849 14.35382 0.000000       14.35382 
1 1 1 -9  28 7  o 228.9142 9.293289 1545.899       124.5056 838.8172       383.0921 1629.405       131.6526 159.5347 40.79076 234.9830 9.573101 -75.44829      41.89906 
1 1 1 -9  28 8  o 230.1283 9.633932 1562.998       129.7366 1298.884       395.3902 1594.865       137.3405 202.0441 34.61239 232.3929 10.10098 -30.34872      36.05617 
1 1 1 -9  28 9  o 142.9508 15.09101 612.6549       124.6116 -163.5376      400.5381 695.8332       131.1185 83.80151 37.93879 152.4928 14.84886 -68.69129      40.74114 
1 1 1 -9  28 10 o 83.99178 38.28390 -199.8486      416.4919 0.000000       0.000000 -199.8486      416.4919 ?        ?        83.99178 38.28390 0.000000       38.28390 
1 1 1 -9  28 11 o 289.6525 20.52613 2525.061       346.4276 2680.908       488.6222 2367.543       491.2333 295.0358 28.59710 276.0188 30.87409 19.01700       42.08329 
1 1 1 -9  28 12 o 158.0950 19.31308 757.5557       175.3557 0.000000       0.000000 757.5557       175.3557 ?        ?        158.0950 19.31308 0.000000       19.31308 
1 1 1 -9  28 13 o 116.0534 14.48600 405.3177       96.45446 0.000000       0.000000 405.3177       96.45446 ?        ?        116.0534 14.48600 0.000000       14.48600 
1 1 1 -9  28 14 o 181.9585 10.12114 979.3250       107.5815 0.000000       0.000000 979.3250       107.5815 ?        ?        181.9585 10.12114 0.000000       10.12114 
1 1 1 -9  28 15 o 178.6909 11.04617 946.4185       115.1957 0.000000       0.000000 946.4185       115.1957 ?        ?        178.6909 11.04617 0.000000       11.04617 
1 1 1 -9  28 16 o 170.5248 11.44412 863.2696       113.7887 0.000000       0.000000 863.2696       113.7887 ?        ?        170.5248 11.44412 0.000000       11.44412 
1 1 1 -9  28 17 o 357.8106 10.15835 3782.114       212.9547 0.000000       0.000000 3782.114       212.9547 ?        ?        357.8106 10.15835 0.000000       10.15835 
1 1 1 -9  28 18 o 38.35447 17.52707 -56.38998      88.02126 0.000000       0.000000 -56.38998      88.02126 ?        ?        38.35447 17.52707 0.000000       17.52707 
1 1 1 -9  28 19 o 268.8821 9.338626 2136.313       147.0400 0.000000       0.000000 2136.313       147.0400 ?        ?        268.8821 9.338626 0.000000       9.338626 
1 1 1 -9  28 20 o 40.46391 18.09384 -34.33028      87.97885 0.000000       0.000000 -34.33028      87.97885 ?        ?        40.46391 18.09384 0.000000       18.09384 
1 1 1 -9  28 21 o 209.8468 10.23635 1305.627       125.5989 0.000000       0.000000 1305.627       125.5989 ?        ?        209.8468 10.23635 0.000000       10.23635 
1 1 1 -9  28 22 f 159.5517 12.36601 760.8660       114.8102 0.000000       0.000000 760.8660       114.8102 ?        ?        159.5517 12.36601 0.000000       12.36601 
1 1 1 -9  28 23 o 46.72597 20.23763 -7.569738      102.1910 0.000000       0.000000 -7.569738      102.1910 ?        ?        46.72597 20.23763 0.000000       20.23763 
1 1 1 -9  28 24 o 117.6498 16.28101 424.0139       109.3295 0.000000       0.000000 424.0139       109.3295 ?        ?        117.6498 16.28101 0.000000       16.28101 
1 1 1 -9  28 25 f 275.0584 9.534732 2243.858       153.5772 0.000000       0.000000 2243.858       153.5772 ?        ?        275.0584 9.534732 0.000000       9.534732 
1 1 1 -9  28 26 o 159.5564 11.93325 764.0756       110.8578 0.000000       0.000000 764.0756       110.8578 ?        ?        159.5564 11.93325 0.000000       11.93325 
1 1 1 -9  28 27 o 175.2521 10.92179 919.8830       111.6976 0.000000       0.000000 919.8830       111.6976 ?        ?        175.2521 10.92179 0.000000       10.92179 
1 1 1 -9  28 28 o 170.1279 13.17635 878.2925       130.4443 0.000000       0.000000 878.2925       130.4443 ?        ?        170.1279 13.17635 0.000000       13.17635 
1 1 1 -9  28 29 o 191.5205 10.10832 1098.972       113.1369 0.000000       0.000000 1098.972       113.1369 ?        ?        191.5205 10.10832 0.000000       10.10832 
1 1 1 -9  28 30 o 40.23889 18.06820 -30.07978      88.72689 0.000000       0.000000 -30.07978      88.72689 ?        ?        40.23889 18.06820 0.000000       18.06820 
1 1 1 -9  28 31 f 46.98182 19.62855 25.65023       90.29399 0.000000       0.000000 25.65023       90.29399 ?        ?        46.98182 19.62855 0.000000       19.62855 
1 1 1 -9  28 32 o 95.37025 18.20146 295.1141       98.09223 0.000000       0.000000 295.1141       98.09223 ?        ?        95.37025 18.20146 0.000000       18.20146 
1 1 1 -9  28 33 o 152.9688 12.37089 717.6454       110.0363 593.8050       569.2986 722.4515       112.1512 108.4233 47.35225 153.3702 12.57888 -44.94690      48.99453 
1 1 1 -9  28 34 o 112.4720 15.64085 401.8460       100.3827 -336.9219      554.1799 426.9079       102.0712 76.45612 37.36386 116.1256 15.36394 -39.66949      40.39937 
1 1 1 -9  28 35 o 42.91994 18.98761 -10.00359      94.28118 -652.9116      532.7258 10.78437       95.79331 67.90832 33.80844 45.52917 19.65635 22.37915       39.10733 
1 1 1 -9  28 36 o 54.18988 21.13587 76.85081       96.93703 -7.710838      525.3806 79.83102       98.63042 80.72315 38.69187 54.83631 21.33910 25.88684       44.18617 
1 1 1 -9  28 37 o 59.23006 22.46156 105.3946       107.3479 -267.2118      553.8848 119.9367       109.4226 74.35383 36.54459 61.57557 22.81597 12.77826       43.08220 
1 1 1 -9  28 38 o 166.7597 12.75775 866.4348       123.8243 822.0673       502.4203 869.3039       127.7653 110.9685 46.32689 166.7151 13.17435 -55.74670      48.16372 
1 1 1 -9  28 39 o 43.49287 20.00483 -46.67582      117.2094 45.39364       439.5341 -53.72424      121.6132 75.75675 36.05650 43.76762 20.21933 31.98913       41.33875 
1 1 1 -9  28 40 o 68.61423 24.87941 167.5089       129.0137 90.42841       415.0244 175.7541       135.7387 75.86736 35.79076 69.89020 25.49331 5.977158       43.94186 
1 1 1 -9  29 1  o 417.2570 8.954073 5125.979       219.1163 4593.612       385.5468 5379.968       266.3046 392.6761 16.78010 427.1180 10.63115 -34.44189      19.86437 
1 1 1 -9  29 2  o 155.1033 12.50173 715.4925       112.7586 0.000000       0.000000 715.4925       112.7586 ?        ?        155.1033 12.50173 0.000000       12.50173 
1 1 1 -9  29 3  o 195.2201 10.46138 1126.897       119.3369 1111.703       353.8876 1128.847       126.7618 187.1015 33.47985 195.2856 11.11384 -8.184036      35.27631 
1 1 1 -9  29 4  o 34.83639 16.36442 -88.51649      85.13354 496.9689       341.0408 -127.4253      87.91684 125.5438 40.61207 32.76150 15.73574 92.78232       43.55403 
1 1 1 -9  29 5  o 174.3564 11.31439 900.9228       115.0716 1130.118       358.4238 874.5844       121.5037 188.5993 33.63854 171.6391 12.14894 16.96022       35.76518 
1 1 1 -9  29 6  o 309.6813 9.781836 2828.664       177.4356 0.000000       0.000000 2828.664       177.4356 ?        ?        309.6813 9.781836 0.000000       9.781836 
1 1 1 -9  29 7  o 412.9978 19.49759 5109.421       470.9245 5109.421       470.9245 0.000000       0.000000 412.9978 19.49759 ?        ?        0.000000       19.49759 
1 1 1 -9  29 8  o 287.8219 12.78447 2454.457       215.2643 3038.133       467.4473 2297.361       242.5092 315.7083 25.46202 277.9155 14.93354 37.79282       29.51821 
1 1 1 -9  29 9  o 72.80484 21.12520 162.4892       95.46934 286.1636       471.5700 157.2036       97.48806 115.3825 46.10836 71.87511 21.47969 43.50743       50.86608 
1 1 1 -9  29 10 o 329.5349 8.730718 3199.521       168.5851 3418.704       507.2625 3172.306       178.7452 334.5405 26.05978 328.0247 9.300708 6.515778       27.66976 
1 1 1 -9  29 11 o 204.4113 10.28658 1235.426       122.9216 0.000000       0.000000 1235.426       122.9216 ?        ?        204.4113 10.28658 0.000000       10.28658 
1 1 1 -9  29 12 o 54.92196 27.00913 -595.5162      303.9302 -1139.010      438.2026 -91.69818      421.9050 59.57972 29.81517 89.18774 39.76963 -29.60803      49.70480 
1 1 1 -9  29 13 o 237.3850 9.511473 1663.931       132.1513 0.000000       0.000000 1663.931       132.1513 ?        ?        237.3850 9.511473 0.000000       9.511473 
1 1 1 -9  29 14 o 150.0006 12.05089 669.8906       105.1225 0.000000       0.000000 669.8906       105.1225 ?        ?        150.0006 12.05089 0.000000       12.05089 
1 1 1 -9  29 15 o 102.9851 17.41742 325.2987       101.4514 0.000000       0.000000 325.2987       101.4514 ?        ?        102.9851 17.41742 0.000000       17.41742 
1 1 1 -9  29 16 o 389.3164 9.221811 4470.545       210.5569 0.000000       0.000000 4470.545       210.5569 ?        ?        389.3164 9.221811 0.000000       9.221811 
1 1 1 -9  29 17 o 113.9828 16.97025 396.9901       109.9890 0.000000       0.000000 396.9901       109.9890 ?        ?        113.9828 16.97025 0.000000       16.97025 
1 1 1 -9  29 18 o 149.8034 12.69817 670.9528       110.5111 0.000000       0.000000 670.9528       110.5111 ?        ?        149.8034 12.69817 0.000000       12.69817 
1 1 1 -9  29 19 o 84.88174 19.90722 226.5003       97.37460 0.000000       0.000000 226.5003       97.37460 ?        ?        84.88174 19.90722 0.000000       19.90722 
1 1 1 -9  29 20 o 36.36604 16.95145 -78.92107      88.45499 0.000000       0.000000 -78.92107      88.45499 ?        ?        36.36604 16.95145 0.000000       16.95145 
1 1 1 -9  29 21 o 38.40627 17.63472 -61.67743      90.53972 0.000000       0.000000 -61.67743      90.53972 ?        ?        38.40627 17.63472 0.000000       17.63472 
1 1 1 -9  29 22 o 100.4248 18.86338 314.9637       107.0208 0.000000       0.000000 314.9637       107.0208 ?        ?        100.4248 18.86338 0.000000       18.86338 
1 1 1 -9  29 23 o 118.6597 16.84282 432.9612       113.9219 0.000000       0.000000 432.9612       113.9219 ?        ?        118.6597 16.84282 0.000000       16.84282 
1 1 1 -9  29 24 o 249.3742 10.20661 1848.887       148.9584 0.000000       0.000000 1848.887       148.9584 ?        ?        249.3742 10.20661 0.000000       10.20661 
1 1 1 -9  29 25 o 66.05444 21.80211 132.6111       98.05283 0.000000       0.000000 132.6111       98.05283 ?        ?        66.05444 21.80211 0.000000       21.80211 
1 1 1 -9  29 26 o 65.06663 21.77032 128.8472       97.69003 0.000000       0.000000 128.8472       97.69003 ?        ?        65.06663 21.77032 0.000000       21.77032 
1 1 1 -9  29 27 o 111.6281 18.54193 395.5607       117.1320 0.000000       0.000000 395.5607       117.1320 ?        ?        111.6281 18.54193 0.000000       18.54193 
1 1 1 -9  29 28 o 120.2048 17.52824 455.9783       119.9339 0.000000       0.000000 455.9783       119.9339 ?        ?        120.2048 17.52824 0.000000       17.52824 
1 1 1 -9  29 29 o 73.53909 24.54462 176.0907       124.1861 0.000000       0.000000 176.0907       124.1861 ?        ?        73.53909 24.54462 0.000000       24.54462 
1 1 1 -9  29 30 o 57.24331 21.27200 89.90744       95.24110 0.000000       0.000000 89.90744       95.24110 ?        ?        57.24331 21.27200 0.000000       21.27200 
1 1 1 -9  29 31 o 44.28950 19.35454 -3.544382      95.23545 0.000000       0.000000 -3.544382      95.23545 ?        ?        44.28950 19.35454 0.000000       19.35454 
1 1 1 -9  29 32 o 210.2406 10.08946 1333.650       124.0411 0.000000       0.000000 1333.650       124.0411 ?        ?        210.2406 10.08946 0.000000       10.08946 
1 1 1 -9  29 33 o 66.50898 21.70554 146.9066       97.29921 0.000000       0.000000 146.9066       97.29921 ?        ?        66.50898 21.70554 0.000000       21.70554 
1 1 1 -9  29 34 o 134.6964 14.37400 569.6270       111.7966 0.000000       0.000000 569.6270       111.7966 ?        ?        134.6964 14.37400 0.000000       14.37400 
1 1 1 -9  29 35 o 153.5701 13.00786 733.1392       116.0546 312.1212       547.6652 752.9338       118.7514 91.20914 42.40225 155.5528 13.13977 -64.34364      44.39149 
1 1 1 -9  29 36 o 38.96857 18.25794 -76.72501      104.7997 -190.5058      544.7394 -72.35189      106.7947 75.66669 36.99223 39.72564 18.55337 35.94105       41.38420 
1 1 1 -9  29 37 o 143.2795 14.37511 650.7578       119.1641 363.4716       530.4916 666.0240       122.2892 89.92236 41.77954 144.7954 14.59984 -54.87307      44.25703 
1 1 1 -9  29 38 o 138.6776 15.47684 619.7617       123.7317 1122.179       500.8215 587.1019       127.6900 127.0314 48.43491 134.0670 16.59385 -7.035545      51.19860 
1 1 1 -9  29 39 o 57.12693 23.39605 82.23083       124.8295 115.0422       414.9905 78.96667       130.8915 76.75957 36.08056 57.37732 23.77389 19.38226       43.20885 
1 1 1 -9  29 40 o 37.36203 18.09312 -153.0664      122.1134 -297.0121      434.4283 -140.7173      127.2437 64.90913 31.99227 39.01381 18.78788 25.89531       37.10107 
1 1 1 -9  30 1  o 211.8203 16.65703 1342.444       205.2625 1488.854       328.4535 1248.622       262.9292 220.1715 25.93369 202.5645 22.51201 17.60698       34.34162 
1 1 1 -9  30 2  o 165.3060 11.97540 811.4021       115.3120 207.0139       320.0557 901.5588       123.6137 97.83437 38.33306 174.2581 12.17202 -76.42368      40.21917 
1 1 1 -9  30 3  o 315.7978 9.137279 2939.583       169.0517 2772.896       366.5002 2984.632       190.5312 303.4680 20.71682 318.0033 10.22938 -14.53525      23.10470 
1 1 1 -9  30 4  o 198.0372 11.33161 1161.504       131.0606 0.000000       0.000000 1161.504       131.0606 ?        ?        198.0372 11.33161 0.000000       11.33161 
1 1 1 -9  30 5  o 59.77624 21.27391 93.36998       93.83530 0.000000       0.000000 93.36998       93.83530 ?        ?        59.77624 21.27391 0.000000       21.27391 
1 1 1 -9  30 6  o 244.3267 9.559596 1761.761       136.7169 1929.138       363.7962 1734.235       147.5312 251.1756 25.02901 242.2639 10.40780 8.911758       27.10670 
1 1 1 -9  30 7  o 49.87044 20.42110 27.94525       95.08405 0.000000       0.000000 27.94525       95.08405 ?        ?        49.87044 20.42110 0.000000       20.42110 
1 1 1 -9  30 8  o 152.5393 12.64736 693.0062       112.1280 0.000000       0.000000 693.0062       112.1280 ?        ?        152.5393 12.64736 0.000000       12.64736 
1 1 1 -9  30 9  o 111.2759 25.87697 391.2479       165.6714 -333.7549      424.0086 521.8743       179.9784 79.01298 36.92393 129.2048 24.65069 -50.19181      44.39631 
1 1 1 -9  30 10 o 219.0101 9.510475 1416.760       121.8654 1527.566       447.7919 1407.897       126.6455 217.5272 36.38440 218.2534 9.920084 -0.7261353     37.71249 
1 1 1 -9  30 11 o 191.6982 10.05885 1087.254       112.6924 1151.298       481.5403 1083.543       115.9112 183.6998 45.04691 191.3168 10.36927 -7.617004      46.22495 
1 1 1 -9  30 12 o 146.2778 12.17741 637.6397       103.5216 684.0939       504.2893 635.5959       105.7742 143.5226 49.44472 145.9844 12.47384 -2.461761      50.99390 
1 1 1 -9  30 13 o 282.5498 8.940519 2355.883       147.9658 3266.848       561.5809 2287.924       153.3858 323.0667 29.98149 278.3460 9.409670 44.72076       31.42343 
1 1 1 -9  30 14 o 137.0524 42.07884 633.1723       370.6332 0.000000       0.000000 633.1723       370.6332 ?        ?        137.0524 42.07884 0.000000       42.07884 
1 1 1 -9  30 15 o 79.83051 22.17216 199.7392       107.5008 0.000000       0.000000 199.7392       107.5008 ?        ?        79.83051 22.17216 0.000000       22.17216 
1 1 1 -9  30 16 o 161.8904 12.99333 783.5513       122.3299 0.000000       0.000000 783.5513       122.3299 ?        ?        161.8904 12.99333 0.000000       12.99333 
1 1 1 -9  30 17 o 235.2849 9.968271 1639.532       137.2396 0.000000       0.000000 1639.532       137.2396 ?        ?        235.2849 9.968271 0.000000       9.968271 
1 1 1 -9  30 18 o 63.87791 21.89990 115.9975       98.89317 0.000000       0.000000 115.9975       98.89317 ?        ?        63.87791 21.89990 0.000000       21.89990 
1 1 1 -9  30 19 o 87.90189 20.58032 244.0851       104.2149 0.000000       0.000000 244.0851       104.2149 ?        ?        87.90189 20.58032 0.000000       20.58032 
1 1 1 -9  30 20 o 104.8310 18.30678 341.2570       108.4584 0.000000       0.000000 341.2570       108.4584 ?        ?        104.8310 18.30678 0.000000       18.30678 
1 1 1 -9  30 21 o 291.8573 16.93375 2579.763       288.6059 0.000000       0.000000 2579.763       288.6059 ?        ?        291.8573 16.93375 0.000000       16.93375 
1 1 1 -9  30 22 o 85.24586 21.56419 232.6021       107.8700 0.000000       0.000000 232.6021       107.8700 ?        ?        85.24586 21.56419 0.000000       21.56419 
1 1 1 -9  30 23 o 156.5769 12.80758 738.3354       116.5835 0.000000       0.000000 738.3354       116.5835 ?        ?        156.5769 12.80758 0.000000       12.80758 
1 1 1 -9  30 24 o 126.5829 25.23605 526.7859       180.7704 0.000000       0.000000 526.7859       180.7704 ?        ?        126.5829 25.23605 0.000000       25.23605 
1 1 1 -9  30 25 o 180.7679 11.23138 981.3498       118.4825 0.000000       0.000000 981.3498       118.4825 ?        ?        180.7679 11.23138 0.000000       11.23138 
1 1 1 -9  30 26 o 44.31752 19.09897 2.188334       90.12228 0.000000       0.000000 2.188334       90.12228 ?        ?        44.31752 19.09897 0.000000       19.09897 
1 1 1 -9  30 27 o 237.2719 11.53651 1697.459       160.0544 0.000000       0.000000 1697.459       160.0544 ?        ?        237.2719 11.53651 0.000000       11.53651 
1 1 1 -9  30 28 o 131.5967 17.02388 545.7441       128.3119 0.000000       0.000000 545.7441       128.3119 ?        ?        131.5967 17.02388 0.000000       17.02388 
1 1 1 -9  30 29 o 73.58270 24.96825 177.8122       128.4884 0.000000       0.000000 177.8122       128.4884 ?        ?        73.58270 24.96825 0.000000       24.96825 
1 1 1 -9  30 30 o 112.7803 18.92352 413.4799       120.7367 0.000000       0.000000 413.4799       120.7367 ?        ?        112.7803 18.92352 0.000000       18.92352 
1 1 1 -9  30 31 o 96.63551 19.09883 308.2128       104.4026 0.000000       0.000000 308.2128       104.4026 ?        ?        96.63551 19.09883 0.000000       19.09883 
1 1 1 -9  30 32 o 171.4210 12.17703 901.3406       121.6240 0.000000       0.000000 901.3406       121.6240 ?        ?        171.4210 12.17703 0.000000       12.17703 
1 1 1 -9  30 33 o 63.30157 22.33850 128.9995       103.2745 0.000000       0.000000 128.9995       103.2745 ?        ?        63.30157 22.33850 0.000000       22.33850 
1 1 1 -9  30 34 o 50.93679 21.22302 44.44019       105.1373 0.000000       0.000000 44.44019       105.1373 ?        ?        50.93679 21.22302 0.000000       21.22302 
1 1 1 -9  30 35 o 59.50144 23.03087 103.0318       114.4192 0.000000       0.000000 103.0318       114.4192 ?        ?        59.50144 23.03087 0.000000       23.03087 
1 1 1 -9  30 36 o 40.55655 18.87601 -66.21074      109.0202 0.000000       0.000000 -66.21074      109.0202 ?        ?        40.55655 18.87601 0.000000       18.87601 
1 1 1 -9  30 37 o 96.64508 21.42298 329.2353       118.2352 0.000000       0.000000 329.2353       118.2352 ?        ?        96.64508 21.42298 0.000000       21.42298 
1 1 1 -9  30 38 o 166.4013 19.07538 932.4503       182.7960 782.7239       474.4160 958.5544       198.0910 106.9727 44.86282 166.9230 20.67645 -59.95031      49.39826 
1 1 1 -9  30 39 o 51.09287 23.67655 -49.74257      168.6766 83.24121       472.0298 -69.20963      180.6011 76.52338 36.67778 51.49074 24.07401 25.03264       43.87274 
1 1 1 -9  31 1  o 173.0278 11.20651 887.8446       113.1083 561.7130       301.8231 941.1290       121.9989 131.2565 37.40029 178.0688 11.74764 -46.81235      39.20189 
1 1 1 -9  31 2  o 217.6403 10.12733 1400.157       128.9117 1210.484       326.3253 1435.230       140.3252 196.6042 29.18582 220.2173 10.89896 -23.61310      31.15445 
1 1 1 -9  31 3  o 48.70167 19.89794 27.74120       90.02420 0.000000       0.000000 27.74120       90.02420 ?        ?        48.70167 19.89794 0.000000       19.89794 
1 1 1 -9  31 4  o 64.63762 20.85971 122.7324       90.00676 112.6002       309.8636 123.6661       94.06241 89.06368 36.70947 65.18105 21.34575 23.88263       42.46441 
1 1 1 -9  31 5  o 115.4066 15.22462 402.4916       100.5342 367.8124       340.2183 405.8095       105.2336 112.4358 40.45087 115.7309 15.92625 -3.295074      43.47319 
1 1 1 -9  31 6  o 317.2692 8.928421 2968.348       165.9667 3815.070       390.6255 2781.830       183.3375 356.4428 18.75213 306.8671 10.20128 49.57571       21.34732 
1 1 1 -9  31 7  o 52.32535 20.98705 41.84418       98.06937 0.000000       0.000000 41.84418       98.06937 ?        ?        52.32535 20.98705 0.000000       20.98705 
1 1 1 -9  31 8  o 145.2292 12.20370 628.5936       102.9826 1034.408       356.7717 591.7080       107.5610 178.3246 35.36309 140.6797 13.19071 37.64487       37.74312 
1 1 1 -9  31 9  o 365.0840 8.552258 3927.136       183.1151 4729.040       465.0477 3779.993       199.2081 395.9277 20.09340 357.8566 9.500176 38.07114       22.22607 
1 1 1 -9  31 10 o 221.3235 10.28930 1449.749       133.1907 0.000000       0.000000 1449.749       133.1907 ?        ?        221.3235 10.28930 0.000000       10.28930 
1 1 1 -9  31 11 o 179.3040 10.71158 953.7644       112.1269 292.7435       483.7244 991.2983       115.2663 114.2964 46.33720 182.7928 10.80022 -68.49635      47.57921 
1 1 1 -9  31 12 o 69.16255 20.70812 146.7486       90.54500 -450.8780      493.4217 167.5743       92.10911 81.43400 38.59768 73.37452 20.57699 8.059479       43.74006 
1 1 1 -9  31 13 o 89.68877 18.97931 251.0666       96.71332 -500.1738      526.3890 277.3119       98.38820 82.98927 39.48740 94.49584 18.41542 -11.50657      43.57043 
1 1 1 -9  31 14 o 192.6510 11.24399 1103.047       126.4883 1163.701       533.6932 1099.437       130.1978 178.9636 49.28631 192.2519 11.60134 -13.28833      50.63330 
1 1 1 -9  31 15 o 69.78037 22.85898 144.9247       107.8679 0.000000       0.000000 144.9247       107.8679 ?        ?        69.78037 22.85898 0.000000       22.85898 
1 1 1 -9  31 16 o 142.2941 18.27911 619.9965       149.0238 0.000000       0.000000 619.9965       149.0238 ?        ?        142.2941 18.27911 0.000000       18.27911 
1 1 1 -9  31 17 o 117.3698 16.83225 421.9755       112.5524 0.000000       0.000000 421.9755       112.5524 ?        ?        117.3698 16.83225 0.000000       16.83225 
1 1 1 -9  31 18 o 157.6797 12.97913 745.5239       118.9633 0.000000       0.000000 745.5239       118.9633 ?        ?        157.6797 12.97913 0.000000       12.97913 
1 1 1 -9  31 19 o 297.0167 9.857863 2615.496       171.4795 0.000000       0.000000 2615.496       171.4795 ?        ?        297.0167 9.857863 0.000000       9.857863 
1 1 1 -9  31 20 o 82.56014 22.03983 217.9961       108.7120 0.000000       0.000000 217.9961       108.7120 ?        ?        82.56014 22.03983 0.000000       22.03983 
1 1 1 -9  31 21 o 79.58244 22.37382 202.9355       108.7548 0.000000       0.000000 202.9355       108.7548 ?        ?        79.58244 22.37382 0.000000       22.37382 
1 1 1 -9  31 22 o 185.0339 11.99963 1027.882       129.5152 0.000000       0.000000 1027.882       129.5152 ?        ?        185.0339 11.99963 0.000000       11.99963 
1 1 1 -9  31 23 o 46.97763 19.94258 12.27868       95.60714 0.000000       0.000000 12.27868       95.60714 ?        ?        46.97763 19.94258 0.000000       19.94258 
1 1 1 -9  31 24 o 178.1987 11.37671 955.5139       118.2763 0.000000       0.000000 955.5139       118.2763 ?        ?        178.1987 11.37671 0.000000       11.37671 
1 1 1 -9  31 25 o 52.46834 20.86042 55.54191       96.03867 0.000000       0.000000 55.54191       96.03867 ?        ?        52.46834 20.86042 0.000000       20.86042 
1 1 1 -9  31 26 f 74.83444 21.37240 184.7055       98.45062 0.000000       0.000000 184.7055       98.45062 ?        ?        74.83444 21.37240 0.000000       21.37240 
1 1 1 -9  31 27 o 166.8096 13.69303 853.5696       132.7806 0.000000       0.000000 853.5696       132.7806 ?        ?        166.8096 13.69303 0.000000       13.69303 
1 1 1 -9  31 28 o 138.3425 16.46686 602.7936       130.9843 0.000000       0.000000 602.7936       130.9843 ?        ?        138.3425 16.46686 0.000000       16.46686 
1 1 1 -9  31 29 o 110.9960 21.51908 412.5697       135.0242 0.000000       0.000000 412.5697       135.0242 ?        ?        110.9960 21.51908 0.000000       21.51908 
1 1 1 -9  31 30 o 107.1517 18.40162 374.7794       111.4748 0.000000       0.000000 374.7794       111.4748 ?        ?        107.1517 18.40162 0.000000       18.40162 
1 1 1 -9  31 31 o 207.4066 10.60729 1304.753       128.5975 0.000000       0.000000 1304.753       128.5975 ?        ?        207.4066 10.60729 0.000000       10.60729 
1 1 1 -9  31 32 o 45.14581 19.97956 -8.190002      104.4813 0.000000       0.000000 -8.190002      104.4813 ?        ?        45.14581 19.97956 0.000000       19.97956 
1 1 1 -9  31 33 o 136.9113 14.85723 594.0320       117.3864 0.000000       0.000000 594.0320       117.3864 ?        ?        136.9113 14.85723 0.000000       14.85723 
1 1 1 -9  31 34 o 131.6182 15.63420 555.9489       118.3268 0.000000       0.000000 555.9489       118.3268 ?        ?        131.6182 15.63420 0.000000       15.63420 
1 1 1 -9  31 35 o 60.52575 22.89005 113.4781       111.3021 0.000000       0.000000 113.4781       111.3021 ?        ?        60.52575 22.89005 0.000000       22.89005 
1 1 1 -9  31 36 o 152.3863 14.46434 739.1143       127.7213 0.000000       0.000000 739.1143       127.7213 ?        ?        152.3863 14.46434 0.000000       14.46434 
1 1 1 -9  31 37 f 93.63930 22.77006 317.8841       123.8221 0.000000       0.000000 317.8841       123.8221 ?        ?        93.63930 22.77006 0.000000       22.77006 
1 1 1 -9  31 38 o 121.0460 18.45437 494.6768       126.8712 0.000000       0.000000 494.6768       126.8712 ?        ?        121.0460 18.45437 0.000000       18.45437 
1 1 1 -9  32 1  o 95.06108 18.40732 279.5148       98.91426 -39.61306      311.2321 315.3705       104.3231 78.77454 34.68865 101.1559 18.25647 -22.38136      39.19950 
1 1 1 -9  32 2  o 251.5387 9.479726 1868.902       139.5961 2182.971       341.5226 1805.904       152.9572 267.8395 21.93368 247.0358 10.58198 20.80367       24.35292 
1 1 1 -9  32 3  o 437.0063 9.276251 5632.021       237.7446 6079.456       465.0705 5473.728       276.6206 450.3832 17.64115 430.1987 10.97285 20.18448       20.77532 
1 1 1 -9  32 4  o 145.6695 13.58575 635.1783       114.7270 0.000000       0.000000 635.1783       114.7270 ?        ?        145.6695 13.58575 0.000000       13.58575 
1 1 1 -9  32 5  o 358.0724 9.098179 3783.480       190.9079 4152.368       407.7433 3679.909       216.0522 371.4050 18.78021 352.7799 10.45403 18.62506       21.49379 
1 1 1 -9  32 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  32 7  f 103.0079 16.72338 325.0320       97.56709 1010.182       338.9496 263.1327       101.8791 175.9864 34.07160 91.82748 19.51937 84.15888       39.26678 
1 1 1 -9  32 8  o 491.6949 9.590221 7137.978       276.5508 7230.473       522.5247 7101.987       325.9442 490.2375 18.20559 489.7882 11.34709 0.4493103      21.45227 
1 1 1 -9  32 9  o 200.0673 10.11844 1185.883       118.3390 1116.545       368.4884 1193.857       124.9581 184.1297 35.40887 200.6285 10.65816 -16.49879      36.97816 
1 1 1 -9  32 10 o 217.2405 9.974034 1397.563       126.7365 1923.488       402.7365 1339.757       133.5200 247.1659 28.29241 212.5225 10.74739 34.64346       30.26494 
1 1 1 -9  32 11 o 92.50587 18.83022 266.8257       98.68109 667.6417       417.7294 243.1359       101.5555 138.9390 44.94701 87.96309 20.12325 50.97588       49.24611 
1 1 1 -9  32 12 o 220.1041 11.21911 1439.144       144.3451 0.000000       0.000000 1439.144       144.3451 ?        ?        220.1041 11.21911 0.000000       11.21911 
1 1 1 -9  32 13 o 284.0110 10.44848 2390.680       173.7392 0.000000       0.000000 2390.680       173.7392 ?        ?        284.0110 10.44848 0.000000       10.44848 
1 1 1 -9  32 14 o 268.2983 9.456954 2130.170       148.5731 1234.471       471.3645 2228.973       156.5532 186.9536 43.76740 274.3812 9.744221 -87.42758      44.83899 
1 1 1 -9  32 15 o 440.4839 11.23975 5759.327       290.1230 0.000000       0.000000 5759.327       290.1230 ?        ?        440.4839 11.23975 0.000000       11.23975 
1 1 1 -9  32 16 o 59.50929 22.38335 84.62928       106.1027 -337.1194      456.4982 108.7143       109.0903 80.03109 37.68781 63.64381 22.90453 16.38728       44.10202 
1 1 1 -9  32 17 o 225.4969 11.80757 1516.600       155.6094 0.000000       0.000000 1516.600       155.6094 ?        ?        225.4969 11.80757 0.000000       11.80757 
1 1 1 -9  32 18 o 135.1896 15.87972 557.8188       123.5054 0.000000       0.000000 557.8188       123.5054 ?        ?        135.1896 15.87972 0.000000       15.87972 
1 1 1 -9  32 19 o 273.4516 14.79406 2256.701       236.3731 0.000000       0.000000 2256.701       236.3731 ?        ?        273.4516 14.79406 0.000000       14.79406 
1 1 1 -9  32 20 o 48.98187 20.52154 21.01099       99.11382 0.000000       0.000000 21.01099       99.11382 ?        ?        48.98187 20.52154 0.000000       20.52154 
1 1 1 -9  32 21 o 81.61317 21.18381 216.0505       102.2678 0.000000       0.000000 216.0505       102.2678 ?        ?        81.61317 21.18381 0.000000       21.18381 
1 1 1 -9  32 22 o 243.5719 10.03685 1771.861       143.0684 0.000000       0.000000 1771.861       143.0684 ?        ?        243.5719 10.03685 0.000000       10.03685 
1 1 1 -9  32 23 o 158.4622 12.54511 761.7168       115.6366 0.000000       0.000000 761.7168       115.6366 ?        ?        158.4622 12.54511 0.000000       12.54511 
1 1 1 -9  32 24 o 107.2012 16.91645 362.8559       102.8324 0.000000       0.000000 362.8559       102.8324 ?        ?        107.2012 16.91645 0.000000       16.91645 
1 1 1 -9  32 25 o 257.8762 9.426432 1988.611       142.3239 0.000000       0.000000 1988.611       142.3239 ?        ?        257.8762 9.426432 0.000000       9.426432 
1 1 1 -9  32 26 o 69.51538 23.98366 154.0845       118.6662 0.000000       0.000000 154.0845       118.6662 ?        ?        69.51538 23.98366 0.000000       23.98366 
1 1 1 -9  32 27 o 45.57521 20.40615 -26.47443      112.2966 0.000000       0.000000 -26.47443      112.2966 ?        ?        45.57521 20.40615 0.000000       20.40615 
1 1 1 -9  32 28 o 36.02871 17.07099 -97.24603      96.36393 0.000000       0.000000 -97.24603      96.36393 ?        ?        36.02871 17.07099 0.000000       17.07099 
1 1 1 -9  32 29 o 96.80610 24.12684 329.0250       136.4846 0.000000       0.000000 329.0250       136.4846 ?        ?        96.80610 24.12684 0.000000       24.12684 
1 1 1 -9  32 30 o 45.64676 20.19160 -8.547404      106.5869 0.000000       0.000000 -8.547404      106.5869 ?        ?        45.64676 20.19160 0.000000       20.19160 
1 1 1 -9  32 31 o 39.57819 18.50401 -77.07374      106.6881 0.000000       0.000000 -77.07374      106.6881 ?        ?        39.57819 18.50401 0.000000       18.50401 
1 1 1 -9  32 32 o 146.7890 14.64833 681.0679       124.4229 0.000000       0.000000 681.0679       124.4229 ?        ?        146.7890 14.64833 0.000000       14.64833 
1 1 1 -9  32 33 o 116.0003 18.13648 445.8973       119.3473 0.000000       0.000000 445.8973       119.3473 ?        ?        116.0003 18.13648 0.000000       18.13648 
1 1 1 -9  32 34 o 48.03476 20.89741 15.44271       109.9665 0.000000       0.000000 15.44271       109.9665 ?        ?        48.03476 20.89741 0.000000       20.89741 
1 1 1 -9  32 35 o 233.4358 11.24030 1677.123       153.4326 0.000000       0.000000 1677.123       153.4326 ?        ?        233.4358 11.24030 0.000000       11.24030 
1 1 1 -9  32 36 o 142.9088 15.61144 660.5882       128.7178 0.000000       0.000000 660.5882       128.7178 ?        ?        142.9088 15.61144 0.000000       15.61144 
1 1 1 -9  32 37 o 59.67498 23.53692 107.5427       121.3596 0.000000       0.000000 107.5427       121.3596 ?        ?        59.67498 23.53692 0.000000       23.53692 
1 1 1 -9  33 1  o 103.6416 17.48665 330.5205       102.5113 -305.8317      327.0033 399.8729       107.9529 67.31765 31.76107 114.4779 16.55963 -47.16023      35.81881 
1 1 1 -9  33 2  o 142.3568 13.24915 607.2346       109.3458 691.0732       310.5983 595.3737       116.8247 143.6095 36.73441 140.6860 14.36019 2.923508       39.44151 
1 1 1 -9  33 3  o 91.96703 19.77496 264.6680       103.4871 0.000000       0.000000 264.6680       103.4871 ?        ?        91.96703 19.77496 0.000000       19.77496 
1 1 1 -9  33 4  o 288.9087 9.495678 2467.434       160.6744 2794.880       370.7917 2391.734       178.2822 302.9013 21.00275 284.1242 10.71837 18.77713       23.57963 
1 1 1 -9  33 5  o 307.1249 10.64909 2794.060       191.5228 0.000000       0.000000 2794.060       191.5228 ?        ?        307.1249 10.64909 0.000000       10.64909 
1 1 1 -9  33 6  o 276.2341 10.50510 2260.566       169.8775 0.000000       0.000000 2260.566       169.8775 ?        ?        276.2341 10.50510 0.000000       10.50510 
1 1 1 -9  33 7  o 118.1314 15.95639 424.7525       107.7238 0.000000       0.000000 424.7525       107.7238 ?        ?        118.1314 15.95639 0.000000       15.95639 
1 1 1 -9  33 8  o 92.36877 17.99347 265.1219       93.96867 417.2578       352.4997 253.4835       97.49676 115.2380 41.20863 90.02541 19.06060 25.21261       45.40328 
1 1 1 -9  33 9  o 251.1132 9.165530 1864.755       134.7561 1906.180       352.6309 1857.671       145.8238 247.6240 24.60682 250.4483 9.947743 -2.824265      26.54153 
1 1 1 -9  33 10 o 130.7534 13.40623 514.2266       101.3498 814.1075       345.5576 486.0027       106.0120 154.2648 38.35715 126.8012 14.51684 27.46366       41.01231 
1 1 1 -9  33 11 o 36.43740 18.34738 -541.7580      179.2451 -369.6494      348.3907 -603.7166      209.0337 67.17020 32.00666 39.90395 20.05580 27.26625       37.77117 
1 1 1 -9  33 12 o 222.3722 10.25913 1467.080       133.4350 500.0682       412.1456 1580.309       141.0309 123.1778 44.49501 230.7621 10.44786 -107.5842      45.70518 
1 1 1 -9  33 13 o 34.59711 16.64716 -143.6316      99.41562 -650.5374      454.1503 -118.1184      101.8868 70.48586 34.30839 36.90052 17.50432 33.58535       38.51580 
1 1 1 -9  33 14 o 353.4889 9.941786 3703.675       205.9013 0.000000       0.000000 3703.675       205.9013 ?        ?        353.4889 9.941786 0.000000       9.941786 
1 1 1 -9  33 15 o 105.4067 19.27781 348.1215       114.7824 0.000000       0.000000 348.1215       114.7824 ?        ?        105.4067 19.27781 0.000000       19.27781 
1 1 1 -9  33 16 o 152.5141 15.56986 707.5740       137.3144 0.000000       0.000000 707.5740       137.3144 ?        ?        152.5141 15.56986 0.000000       15.56986 
1 1 1 -9  33 17 o 231.9640 10.93335 1604.578       148.3203 2804.606       470.6996 1472.290       156.2818 294.7932 27.54438 221.7718 12.06116 73.02136       30.06933 
1 1 1 -9  33 18 o 143.4487 13.82242 624.4263       114.8489 0.000000       0.000000 624.4263       114.8489 ?        ?        143.4487 13.82242 0.000000       13.82242 
1 1 1 -9  33 19 o 65.64225 21.99685 130.9929       99.72906 0.000000       0.000000 130.9929       99.72906 ?        ?        65.64225 21.99685 0.000000       21.99685 
1 1 1 -9  33 20 o 109.0566 16.98237 372.7127       105.0825 0.000000       0.000000 372.7127       105.0825 ?        ?        109.0566 16.98237 0.000000       16.98237 
1 1 1 -9  33 21 o 75.55774 33.63631 16.87261       300.5227 0.000000       0.000000 16.87261       300.5227 ?        ?        75.55774 33.63631 0.000000       33.63631 
1 1 1 -9  33 22 o 45.27934 19.82999 -8.676593      100.4491 0.000000       0.000000 -8.676593      100.4491 ?        ?        45.27934 19.82999 0.000000       19.82999 
1 1 1 -9  33 23 o 46.61752 20.02700 8.161578       98.49943 0.000000       0.000000 8.161578       98.49943 ?        ?        46.61752 20.02700 0.000000       20.02700 
1 1 1 -9  33 24 f 90.04743 19.59866 265.5645       100.5563 0.000000       0.000000 265.5645       100.5563 ?        ?        90.04743 19.59866 0.000000       19.59866 
1 1 1 -9  33 25 o 95.46421 21.12071 303.7325       115.1139 0.000000       0.000000 303.7325       115.1139 ?        ?        95.46421 21.12071 0.000000       21.12071 
1 1 1 -9  33 26 o 86.91451 23.33964 260.1552       121.4701 0.000000       0.000000 260.1552       121.4701 ?        ?        86.91451 23.33964 0.000000       23.33964 
1 1 1 -9  33 27 o 93.59054 23.59062 304.9387       129.4247 0.000000       0.000000 304.9387       129.4247 ?        ?        93.59054 23.59062 0.000000       23.59062 
1 1 1 -9  33 28 o 44.03947 20.23085 -56.64053      119.3538 0.000000       0.000000 -56.64053      119.3538 ?        ?        44.03947 20.23085 0.000000       20.23085 
1 1 1 -9  33 29 o 33.92177 16.83722 -271.8112      128.2146 0.000000       0.000000 -271.8112      128.2146 ?        ?        33.92177 16.83722 0.000000       16.83722 
1 1 1 -9  33 30 o 107.0271 19.85868 385.2249       120.0624 0.000000       0.000000 385.2249       120.0624 ?        ?        107.0271 19.85868 0.000000       19.85868 
1 1 1 -9  33 31 o 52.92144 22.25162 47.09888       117.1775 0.000000       0.000000 47.09888       117.1775 ?        ?        52.92144 22.25162 0.000000       22.25162 
1 1 1 -9  33 32 o 35.94289 17.41573 -153.5896      113.5513 0.000000       0.000000 -153.5896      113.5513 ?        ?        35.94289 17.41573 0.000000       17.41573 
1 1 1 -9  33 33 o 48.33849 21.32987 5.045062       118.2458 0.000000       0.000000 5.045062       118.2458 ?        ?        48.33849 21.32987 0.000000       21.32987 
1 1 1 -9  33 34 f 83.58531 24.03764 259.1221       124.1211 0.000000       0.000000 259.1221       124.1211 ?        ?        83.58531 24.03764 0.000000       24.03764 
1 1 1 -9  33 35 o 99.25990 22.40541 353.9507       127.3269 0.000000       0.000000 353.9507       127.3269 ?        ?        99.25990 22.40541 0.000000       22.40541 
1 1 1 -9  33 36 o 124.2169 18.17515 519.1376       128.4886 0.000000       0.000000 519.1376       128.4886 ?        ?        124.2169 18.17515 0.000000       18.17515 
1 1 1 -9  34 1  o 112.9318 17.56278 392.0880       112.5423 -115.4323      317.3799 465.0818       120.3637 74.40214 33.71867 123.3303 17.10033 -48.92819      37.80701 
1 1 1 -9  34 2  o 55.93333 21.47708 67.43063       98.93241 -526.5501      312.7732 133.4653       104.2868 57.46882 28.08163 67.46442 22.49178 -9.995598      35.97858 
1 1 1 -9  34 3  o 382.4899 9.283282 4321.828       208.2438 4358.812       397.6704 4307.854       244.4383 379.9598 17.89605 381.1725 10.94579 -1.212646      20.97806 
1 1 1 -9  34 4  o 109.6192 17.11055 369.1849       106.4103 0.000000       0.000000 369.1849       106.4103 ?        ?        109.6192 17.11055 0.000000       17.11055 
1 1 1 -9  34 5  o 183.4020 13.15557 1006.184       140.5626 1190.565       332.5565 966.0795       155.0980 192.0056 30.55547 179.1937 14.89266 12.81192       33.99159 
1 1 1 -9  34 6  o 191.6513 10.81864 1091.614       121.1067 1806.325       339.5351 987.4318       129.6333 240.8878 24.36841 181.9061 12.22212 58.98169       27.26169 
1 1 1 -9  34 7  f 160.6295 13.05912 773.0622       121.9636 0.000000       0.000000 773.0622       121.9636 ?        ?        160.6295 13.05912 0.000000       13.05912 
1 1 1 -9  34 8  o 236.5002 9.992405 1658.126       138.2841 2523.983       368.0561 1515.811       149.2164 286.2680 22.09336 225.7583 11.30594 60.50969       24.81816 
1 1 1 -9  34 9  f 71.30280 21.18459 158.1675       95.04414 26.21117       326.9551 170.3475       99.33378 82.98271 36.06819 73.78919 21.58801 9.193520       42.03518 
1 1 1 -9  34 10 o 92.91469 18.85463 270.6601       99.22747 -59.06606      344.5997 300.4712       103.6161 79.86659 35.75431 98.06126 18.69913 -18.19466      40.34883 
1 1 1 -9  34 11 o 171.4471 11.53783 877.5222       115.3370 1474.839       389.1919 820.0131       120.7617 211.4863 32.40977 165.4403 12.53960 46.04602       34.75104 
1 1 1 -9  34 12 o 148.2917 22.56713 692.7753       190.0837 1165.075       373.0619 527.1649       220.9101 184.9480 35.68674 125.7431 30.31270 59.20489       46.82311 
1 1 1 -9  34 13 f 154.0920 13.29987 715.1610       119.0175 -47.22052      398.6942 789.7457       124.7035 85.08230 38.24438 161.9991 13.24090 -76.91676      40.47165 
1 1 1 -9  34 14 o 145.2197 13.40725 636.7670       112.8982 409.7386       431.5361 653.4476       116.9722 113.6389 44.51544 147.0244 13.72428 -33.38547      46.58304 
1 1 1 -9  34 15 o 216.4539 10.74475 1397.935       135.9729 1087.996       418.3687 1434.540       143.7784 171.0624 42.01259 219.1046 11.22644 -48.04221      43.48668 
1 1 1 -9  34 16 o 228.2224 10.92253 1556.748       145.7704 1271.504       431.1385 1593.565       154.8923 185.1514 40.80606 230.6823 11.48505 -45.53093      42.39153 
1 1 1 -9  34 17 o 70.56629 23.43639 154.8000       113.2535 0.000000       0.000000 154.8000       113.2535 ?        ?        70.56629 23.43639 0.000000       23.43639 
1 1 1 -9  34 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  34 19 o 154.3798 13.89752 728.4073       124.4828 0.000000       0.000000 728.4073       124.4828 ?        ?        154.3798 13.89752 0.000000       13.89752 
1 1 1 -9  34 20 f 132.6383 14.96317 543.8207       114.3681 0.000000       0.000000 543.8207       114.3681 ?        ?        132.6383 14.96317 0.000000       14.96317 
1 1 1 -9  34 21 o 213.1906 11.36356 1371.280       141.5667 0.000000       0.000000 1371.280       141.5667 ?        ?        213.1906 11.36356 0.000000       11.36356 
1 1 1 -9  34 22 o 96.36524 19.73580 303.4058       107.7828 0.000000       0.000000 303.4058       107.7828 ?        ?        96.36524 19.73580 0.000000       19.73580 
1 1 1 -9  34 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  34 24 o 104.0350 21.37205 361.7115       126.0340 0.000000       0.000000 361.7115       126.0340 ?        ?        104.0350 21.37205 0.000000       21.37205 
1 1 1 -9  34 25 o 92.79623 22.11362 293.9343       118.6329 0.000000       0.000000 293.9343       118.6329 ?        ?        92.79623 22.11362 0.000000       22.11362 
1 1 1 -9  34 26 o 110.0658 17.76277 392.8038       110.7578 0.000000       0.000000 392.8038       110.7578 ?        ?        110.0658 17.76277 0.000000       17.76277 
1 1 1 -9  34 27 o 128.5812 15.67802 524.7600       115.7861 0.000000       0.000000 524.7600       115.7861 ?        ?        128.5812 15.67802 0.000000       15.67802 
1 1 1 -9  34 28 o 38.91177 18.69116 -145.1105      124.0948 0.000000       0.000000 -145.1105      124.0948 ?        ?        38.91177 18.69116 0.000000       18.69116 
1 1 1 -9  34 29 o 69.70129 26.09883 161.7632       143.9053 0.000000       0.000000 161.7632       143.9053 ?        ?        69.70129 26.09883 0.000000       26.09883 
1 1 1 -9  34 30 o 49.38495 21.72592 7.193620       121.8139 0.000000       0.000000 7.193620       121.8139 ?        ?        49.38495 21.72592 0.000000       21.72592 
1 1 1 -9  34 31 o 80.43003 24.45375 237.2602       125.5708 0.000000       0.000000 237.2602       125.5708 ?        ?        80.43003 24.45375 0.000000       24.45375 
1 1 1 -9  34 32 o 80.56301 23.76260 237.8570       119.9377 0.000000       0.000000 237.8570       119.9377 ?        ?        80.56301 23.76260 0.000000       23.76260 
1 1 1 -9  34 33 o 54.59612 22.97613 59.14948       125.1072 0.000000       0.000000 59.14948       125.1072 ?        ?        54.59612 22.97613 0.000000       22.97613 
1 1 1 -9  34 34 o 44.55914 20.56262 -50.28066      125.2839 0.000000       0.000000 -50.28066      125.2839 ?        ?        44.55914 20.56262 0.000000       20.56262 
1 1 1 -9  35 1  o 90.60723 21.58455 260.9730       113.0549 -20.10952      288.6001 311.9260       122.8753 75.74327 33.37678 99.13743 21.73424 -23.39416      39.82947 
1 1 1 -9  35 2  o 272.1310 10.30483 2196.960       164.1663 1852.832       325.7500 2314.118       190.0679 244.2671 23.00994 278.8595 11.64743 -34.59241      25.78992 
1 1 1 -9  35 3  o 181.9332 13.20173 992.0454       139.9035 0.000000       0.000000 992.0454       139.9035 ?        ?        181.9332 13.20173 0.000000       13.20173 
1 1 1 -9  35 4  o 316.7509 13.28729 2998.580       246.2858 3100.415       374.7883 2921.185       326.7366 318.2306 20.18541 310.1824 18.03882 8.048248       27.07120 
1 1 1 -9  35 5  o 256.8141 11.17684 1961.953       167.9374 0.000000       0.000000 1961.953       167.9374 ?        ?        256.8141 11.17684 0.000000       11.17684 
1 1 1 -9  35 6  o 163.3796 13.16458 801.5730       125.0737 0.000000       0.000000 801.5730       125.0737 ?        ?        163.3796 13.16458 0.000000       13.16458 
1 1 1 -9  35 7  o 313.4803 12.74821 2935.769       233.8853 3417.208       406.4281 2697.395       285.9842 333.1880 20.90441 298.6662 16.38979 34.52179       26.56350 
1 1 1 -9  35 8  o 187.7521 12.74198 1056.535       139.4735 0.000000       0.000000 1056.535       139.4735 ?        ?        187.7521 12.74198 0.000000       12.74198 
1 1 1 -9  35 9  o 147.3502 12.90361 653.2957       110.3855 1452.571       354.4215 567.4352       116.1632 211.0665 29.43120 136.7149 14.71945 74.35159       32.90680 
1 1 1 -9  35 10 o 45.19179 19.55173 -4.839487      95.17181 -400.3250      354.2427 25.92725       98.80442 65.79186 31.59694 49.72805 20.63442 16.06382       37.73786 
1 1 1 -9  35 11 o 41.74181 20.57273 -357.1631      179.5783 -216.9708      350.0552 -407.2346      209.2040 71.85320 33.56876 45.12875 22.23489 26.72445       40.26477 
1 1 1 -9  35 12 o 235.1083 10.15053 1646.023       139.6313 1391.009       371.9938 1687.846       150.6467 202.6284 32.39339 237.8326 10.82876 -35.20415      34.15543 
1 1 1 -9  35 13 o 152.2411 13.23725 701.4294       117.0162 107.3278       343.0047 779.6801       124.4841 86.67628 37.30601 160.5251 13.34324 -73.84880      39.62046 
1 1 1 -9  35 14 o 32.25217 15.73268 -168.4627      96.96461 -489.8969      373.4229 -145.2229      100.4087 63.99833 31.14147 34.46043 16.61882 29.53790       35.29839 
1 1 1 -9  35 15 o 114.7682 17.25143 412.5026       112.5282 -159.0560      391.9599 463.8427       117.4734 76.64945 35.71371 121.9815 16.87210 -45.33208      39.49857 
1 1 1 -9  35 16 o 42.40751 19.21359 -45.08134      102.9666 553.4933       397.6238 -88.10542      106.6029 118.0638 43.53876 39.70084 18.54011 78.36293       47.32187 
1 1 1 -9  35 17 o 61.53252 22.35961 107.3053       104.2793 662.0850       413.5335 69.63245       107.7617 125.4243 44.65771 56.34432 22.19272 69.08000       49.86810 
1 1 1 -9  35 18 o 62.36446 22.61507 111.9748       106.6014 0.000000       0.000000 111.9748       106.6014 ?        ?        62.36446 22.61507 0.000000       22.61507 
1 1 1 -9  35 19 o 56.74103 21.84469 79.46994       102.5360 0.000000       0.000000 79.46994       102.5360 ?        ?        56.74103 21.84469 0.000000       21.84469 
1 1 1 -9  35 20 o 71.64360 21.88461 168.9220       100.4154 -188.9234      460.5233 186.7848       102.8911 78.40020 37.19736 74.98813 21.98011 3.412071       43.20612 
1 1 1 -9  35 21 o 57.92583 21.70539 91.35633       99.57112 0.000000       0.000000 91.35633       99.57112 ?        ?        57.92583 21.70539 0.000000       21.70539 
1 1 1 -9  35 22 o 65.49492 22.64292 135.7263       105.7903 0.000000       0.000000 135.7263       105.7903 ?        ?        65.49492 22.64292 0.000000       22.64292 
1 1 1 -9  35 23 o 39.20022 18.36342 -84.91167      105.9395 0.000000       0.000000 -84.91167      105.9395 ?        ?        39.20022 18.36342 0.000000       18.36342 
1 1 1 -9  35 24 o 143.3159 14.82805 643.4195       122.8337 0.000000       0.000000 643.4195       122.8337 ?        ?        143.3159 14.82805 0.000000       14.82805 
1 1 1 -9  35 25 o 50.18897 20.88494 39.37753       101.6277 0.000000       0.000000 39.37753       101.6277 ?        ?        50.18897 20.88494 0.000000       20.88494 
1 1 1 -9  35 26 o 201.0639 22.54989 1372.080       261.3301 0.000000       0.000000 1372.080       261.3301 ?        ?        201.0639 22.54989 0.000000       22.54989 
1 1 1 -9  35 27 o 70.71259 24.03229 172.6265       119.0407 0.000000       0.000000 172.6265       119.0407 ?        ?        70.71259 24.03229 0.000000       24.03229 
1 1 1 -9  35 28 o 184.5776 12.40492 1053.249       133.5041 0.000000       0.000000 1053.249       133.5041 ?        ?        184.5776 12.40492 0.000000       12.40492 
1 1 1 -9  35 29 o 101.1020 21.62846 356.7263       124.3653 0.000000       0.000000 356.7263       124.3653 ?        ?        101.1020 21.62846 0.000000       21.62846 
1 1 1 -9  35 30 o 71.88718 25.02782 185.1754       129.3541 0.000000       0.000000 185.1754       129.3541 ?        ?        71.88718 25.02782 0.000000       25.02782 
1 1 1 -9  35 31 o 167.8505 14.49458 895.6229       141.2885 0.000000       0.000000 895.6229       141.2885 ?        ?        167.8505 14.49458 0.000000       14.49458 
1 1 1 -9  35 32 o 120.9540 19.35499 497.3994       132.6706 0.000000       0.000000 497.3994       132.6706 ?        ?        120.9540 19.35499 0.000000       19.35499 
1 1 1 -9  35 33 o 69.04813 24.66683 171.6503       126.2696 0.000000       0.000000 171.6503       126.2696 ?        ?        69.04813 24.66683 0.000000       24.66683 
1 1 1 -9  36 1  o 118.2420 17.28716 431.9730       116.3374 198.7928       277.6825 481.6158       128.1241 89.64405 35.52564 124.7028 18.04253 -35.05872      39.84475 
1 1 1 -9  36 2  o 144.0772 14.15803 628.3676       118.0889 718.8132       290.1409 610.4103       129.2813 144.3450 34.70274 141.4268 15.85956 2.918198       38.15502 
1 1 1 -9  36 3  o 87.88009 21.49359 247.5955       109.8446 68.19745       290.7208 277.4714       118.6390 80.74339 34.54114 92.91775 22.09565 -12.17436      41.00376 
1 1 1 -9  36 4  f 108.7945 19.12535 371.4042       117.5779 115.2628       295.9483 419.4113       128.1235 84.44548 35.42558 115.5936 19.59864 -31.14812      40.48553 
1 1 1 -9  36 5  o 60.71679 22.22344 97.21538       103.2832 64.01692       312.2201 101.2947       109.4449 82.36404 35.52247 62.12713 22.85403 20.23691       42.23923 
1 1 1 -9  36 6  o 56.73800 21.12855 80.64595       94.05502 -50.70966      313.7095 93.61963       98.59046 75.55198 33.94541 59.48117 21.72194 16.07080       40.30054 
1 1 1 -9  36 7  o 126.6029 14.79034 489.3758       107.7510 541.3152       326.6602 483.0345       114.1392 122.2950 39.76105 125.3999 15.87503 -3.104813      42.81306 
1 1 1 -9  36 8  o 104.8855 18.15745 345.3616       107.6490 937.1283       332.0565 275.8637       113.7948 162.9196 35.73767 92.46063 21.40784 70.45898       41.65906 
1 1 1 -9  36 9  o 51.39894 20.64787 45.78095       95.08215 194.7988       325.6946 31.89736       99.41280 91.16145 37.61097 50.34508 20.77601 40.81637       42.96775 
1 1 1 -9  36 10 o 213.7400 10.58442 1365.247       132.2666 1652.575       362.8359 1321.213       142.0405 223.2221 28.35442 209.8675 11.58523 13.35454       30.62989 
1 1 1 -9  36 11 o 136.3593 14.07798 567.5373       110.9670 471.3034       358.4321 577.7387       116.7005 113.1566 41.40275 137.3454 14.71720 -24.18880      43.94069 
1 1 1 -9  36 12 o 47.25216 20.21304 8.520756       99.54741 -247.7737      388.6244 26.51829       102.9833 72.82259 34.43843 50.10450 20.94993 22.71809       40.31011 
1 1 1 -9  36 13 o 74.05283 22.17469 178.3094       103.8200 78.83757       383.8115 186.1622       107.8402 86.13855 38.19847 75.52796 22.59610 10.61059       44.38139 
1 1 1 -9  36 14 o 162.6092 12.19662 800.5310       115.4673 582.9639       382.3044 822.3701       121.1240 119.8713 42.90966 164.6338 12.64143 -44.76252      44.73304 
1 1 1 -9  36 15 o 177.8460 11.46431 954.3670       118.9386 865.8143       405.9456 962.6826       124.3978 142.9985 44.06197 178.4025 11.95850 -35.40401      45.65591 
1 1 1 -9  36 16 o 104.6392 18.07220 349.7446       106.8976 503.9653       417.0159 338.8980       110.5929 111.4872 43.73409 102.5008 19.09963 8.986420       47.72281 
1 1 1 -9  36 17 o 107.3218 17.46431 366.4645       106.1473 336.0569       436.0219 368.3802       109.4398 100.1993 42.56413 107.3468 18.02144 -7.147537      46.22204 
1 1 1 -9  36 18 o 121.6647 15.64027 463.0399       109.0203 1536.110       465.4863 400.7626       112.1393 193.2759 42.24743 112.1332 17.63338 81.14262       45.77971 
1 1 1 -9  36 19 o 56.12574 21.43388 81.10606       98.17744 255.2915       438.6691 71.92107       100.7327 94.30130 41.36547 55.09797 21.52961 39.20333       46.63289 
1 1 1 -9  36 20 o 93.19832 20.45665 288.8653       108.7397 1145.429       446.5314 234.8668       112.1149 157.2106 45.70787 83.09760 22.46992 74.11304       50.93238 
1 1 1 -9  36 21 o 97.54441 20.53601 317.8185       113.7603 0.000000       0.000000 317.8185       113.7603 ?        ?        97.54441 20.53601 0.000000       20.53601 
1 1 1 -9  36 22 o 135.1549 15.31106 575.0740       119.2280 900.3884       442.1494 549.5641       123.8145 132.3042 46.25810 131.4342 16.41968 0.8699646      49.08582 
1 1 1 -9  36 23 o 45.57109 20.34120 -18.69658      110.6665 0.000000       0.000000 -18.69658      110.6665 ?        ?        45.57109 20.34120 0.000000       20.34120 
1 1 1 -9  36 24 o 58.84611 22.72801 95.34772       111.2522 0.000000       0.000000 95.34772       111.2522 ?        ?        58.84611 22.72801 0.000000       22.72801 
1 1 1 -9  36 25 o 52.20908 21.53989 51.44617       106.8220 0.000000       0.000000 51.44617       106.8220 ?        ?        52.20908 21.53989 0.000000       21.53989 
1 1 1 -9  36 26 o 62.95889 23.79571 122.3655       120.2413 0.000000       0.000000 122.3655       120.2413 ?        ?        62.95889 23.79571 0.000000       23.79571 
1 1 1 -9  36 27 o 74.12782 24.97342 197.4451       128.5341 0.000000       0.000000 197.4451       128.5341 ?        ?        74.12782 24.97342 0.000000       24.97342 
1 1 1 -9  36 28 o 155.9391 27.31886 906.5923       240.7428 0.000000       0.000000 906.5923       240.7428 ?        ?        155.9391 27.31886 0.000000       27.31886 
1 1 1 -9  36 29 o 113.5856 21.58278 450.1726       138.5194 0.000000       0.000000 450.1726       138.5194 ?        ?        113.5856 21.58278 0.000000       21.58278 
1 1 1 -9  36 30 o 47.07129 21.58218 -40.02116      134.9464 0.000000       0.000000 -40.02116      134.9464 ?        ?        47.07129 21.58218 0.000000       21.58218 
1 1 1 -9  36 31 o 134.6828 17.74422 602.8495       136.7523 0.000000       0.000000 602.8495       136.7523 ?        ?        134.6828 17.74422 0.000000       17.74422 
1 1 1 -9  36 32 o 34.44584 16.95930 -209.5013      120.9829 0.000000       0.000000 -209.5013      120.9829 ?        ?        34.44584 16.95930 0.000000       16.95930 
1 1 1 -9  37 1  o 55.84573 21.59682 70.36909       100.5480 -164.4730      258.6486 112.1768       109.1316 62.14030 28.97275 63.38778 22.89625 -1.247471      36.92774 
1 1 1 -9  37 2  o 157.2050 12.95345 747.3421       118.3682 361.8499       267.7573 840.9771       131.9631 102.6373 35.98946 166.5585 13.62844 -63.92119      38.48345 
1 1 1 -9  37 3  o 77.82632 30.88550 147.9362       210.1582 218.0055       296.6305 77.31800       297.7901 90.54879 36.43681 80.42630 34.68935 10.12249       50.30897 
1 1 1 -9  37 4  o 55.66369 21.84831 65.66802       104.1267 -203.8124      313.5281 99.07630       110.3926 67.11349 31.48783 61.43625 22.88781 5.677242       38.92731 
1 1 1 -9  37 5  o 70.14703 21.45180 156.6466       96.44733 90.96496       299.7216 164.2334       101.8654 81.22652 34.91552 71.72952 22.06675 9.497009       41.30418 
1 1 1 -9  37 6  o 179.4607 11.41223 967.6699       119.4909 1363.962       313.8505 900.4886       129.2229 203.0042 27.03263 172.5327 12.86336 30.47153       29.93708 
1 1 1 -9  37 7  o 299.5978 9.845099 2676.863       172.7504 3524.329       384.3037 2462.256       193.3905 335.7420 19.60250 286.4296 11.53602 49.31241       22.74506 
1 1 1 -9  37 8  o 64.43092 22.31066 124.3680       102.7254 0.000000       0.000000 124.3680       102.7254 ?        ?        64.43092 22.31066 0.000000       22.31066 
1 1 1 -9  37 9  o 66.01026 22.08910 134.8459       100.5714 960.1002       369.5014 68.81726       104.5173 157.5132 39.94670 55.86345 21.90042 101.6498       45.55620 
1 1 1 -9  37 10 o 38.54626 17.80792 -64.71496      94.34856 -71.98576      362.0355 -64.18517      97.72544 76.68585 35.23046 39.42731 18.18239 37.25854       39.64574 
1 1 1 -9  37 11 o 60.16269 21.94485 101.4830       100.5807 253.8820       337.8983 86.66698       105.3564 93.12589 38.35390 58.42574 22.22981 34.70015       44.33042 
1 1 1 -9  37 12 o 162.7444 12.60594 804.8307       119.3810 277.6509       342.4343 877.7683       127.3719 94.55583 38.74035 169.8680 12.88135 -75.31216      40.82578 
1 1 1 -9  37 13 o 143.4980 13.94869 632.4934       115.9102 737.2274       401.7331 622.9829       121.0585 130.4478 44.15039 142.0328 14.74744 -11.58501      46.54830 
1 1 1 -9  37 14 o 198.6291 11.06518 1189.626       128.3902 1103.970       427.1730 1198.132       134.6142 160.7737 44.02182 199.0813 11.57947 -38.30757      45.51928 
1 1 1 -9  37 15 f 94.00354 19.73089 289.0662       105.3058 -33.50560      410.9034 311.7416       108.9442 80.50481 37.18201 97.72871 19.68910 -17.22390      42.07330 
1 1 1 -9  37 16 o 63.39425 21.91086 124.4215       99.05778 -603.6896      438.7818 163.5232       101.6828 65.00357 32.06037 70.51891 22.10474 -5.515335      38.94209 
1 1 1 -9  37 17 o 150.2587 12.38226 689.7545       108.1489 1049.345       427.7249 665.1952       111.7811 151.9680 44.88753 147.2014 13.08429 4.766571       46.75563 
1 1 1 -9  37 18 o 101.2228 18.09695 331.9318       103.4885 440.8869       415.1296 324.7119       106.8623 102.7784 42.43867 99.64053 18.97970 3.137863       46.48946 
1 1 1 -9  37 19 o 47.23972 20.24083 15.35500       100.1208 350.6391       391.1620 -8.150839      103.5710 95.68513 40.46613 45.36251 19.99179 50.32262       45.13512 
1 1 1 -9  37 20 f 49.16568 20.86489 25.67869       104.5990 137.7771       407.9355 17.78996       108.2169 84.24093 38.19745 48.91865 21.00324 35.32228       43.59107 
1 1 1 -9  37 21 o 40.42955 18.70667 -63.23112      104.7004 269.6031       398.3720 -87.92743      108.5152 89.77801 39.39938 39.39642 18.49670 50.38159       43.52515 
1 1 1 -9  37 22 o 71.51880 23.14045 175.4508       110.7199 843.4417       432.6807 128.6451       114.5333 125.6382 45.56146 64.02385 23.40750 61.61436       51.22263 
1 1 1 -9  37 23 o 124.9144 17.24000 505.5550       122.9351 479.2382       420.4729 508.0149       128.5523 99.58289 42.02660 124.6290 18.11801 -25.04611      45.76568 
1 1 1 -9  37 24 o 90.45567 21.62278 284.5328       113.1484 448.0439       412.4794 271.2278       117.6619 96.59264 41.22754 87.60878 22.71339 8.983864       47.07024 
1 1 1 -9  37 25 f 65.67760 24.19146 141.6223       122.6952 0.000000       0.000000 141.6223       122.6952 ?        ?        65.67760 24.19146 0.000000       24.19146 
1 1 1 -9  37 26 o 76.09663 24.91576 211.0318       128.1594 0.000000       0.000000 211.0318       128.1594 ?        ?        76.09663 24.91576 0.000000       24.91576 
1 1 1 -9  37 27 o 136.5106 18.16224 617.0651       141.8027 0.000000       0.000000 617.0651       141.8027 ?        ?        136.5106 18.16224 0.000000       18.16224 
1 1 1 -9  37 28 o 96.66576 23.82677 342.0902       134.2018 0.000000       0.000000 342.0902       134.2018 ?        ?        96.66576 23.82677 0.000000       23.82677 
1 1 1 -9  37 29 o 72.92589 26.07292 196.8202       141.1042 0.000000       0.000000 196.8202       141.1042 ?        ?        72.92589 26.07292 0.000000       26.07292 
1 1 1 -9  37 30 f 55.67746 23.82690 55.67400       138.4287 0.000000       0.000000 55.67400       138.4287 ?        ?        55.67746 23.82690 0.000000       23.82690 
1 1 1 -9  38 1  o 98.51995 20.45330 315.2508       114.3070 64.13699       261.7171 374.4441       127.0672 74.77454 32.38636 107.3683 20.93166 -32.59375      38.56178 
1 1 1 -9  38 2  o 50.13412 21.12271 23.37585       105.9313 29.47763       282.7294 22.37939       114.2540 74.55753 32.93716 51.57972 21.84438 22.97782       39.52257 
1 1 1 -9  38 3  o 216.8247 11.44484 1415.013       145.0202 1261.067       300.5968 1461.713       165.5616 193.6373 27.21986 219.6198 12.91094 -25.98251      30.12661 
1 1 1 -9  38 4  o 176.1194 12.40954 939.4663       127.3575 1206.211       302.1475 881.8348       140.4433 188.3457 28.22152 169.7556 14.23779 18.59009       31.60963 
1 1 1 -9  38 5  o 157.2224 13.04365 752.3613       119.1903 614.2319       327.3723 773.4691       127.9735 124.5636 39.74170 159.0581 13.85691 -34.49448      42.08820 
1 1 1 -9  38 6  o 179.3189 23.63022 1053.985       242.4681 825.6473       338.7829 1293.775       347.1744 145.3474 38.95472 191.0401 32.12541 -45.69267      50.49270 
1 1 1 -9  38 7  o 119.4130 17.13938 449.0380       116.5962 280.4987       338.8974 471.6660       124.1768 94.67065 38.63428 122.0813 17.87304 -27.41063      42.56822 
1 1 1 -9  38 8  o 136.9044 14.39166 577.4363       113.8264 603.0898       331.8774 574.0162       121.1765 122.1899 40.09971 135.9971 15.46731 -13.80717      42.97935 
1 1 1 -9  38 9  o 136.5913 14.23631 574.7563       112.3718 164.1725       322.1400 631.6384       119.9034 85.23584 36.40868 143.1339 14.48268 -57.89809      39.18342 
1 1 1 -9  38 10 o 53.38690 20.96135 63.49211       95.87020 -169.4284      324.9610 85.69755       100.3361 67.84846 31.90317 57.37391 21.72523 10.47456       38.59790 
1 1 1 -9  38 11 o 103.7036 19.18427 348.1474       112.3818 84.34759       341.5049 380.1843       119.0103 81.26374 36.03450 108.3467 19.44360 -27.08298      40.94556 
1 1 1 -9  38 12 o 52.39782 21.50878 45.34961       105.8114 -400.4074      347.0171 91.04177       111.1022 61.73469 30.03552 59.36204 22.76835 2.372654       37.68992 
1 1 1 -9  38 13 o 143.7113 14.38414 638.9152       119.6067 390.0979       359.3142 669.9211       126.8402 100.8723 40.26867 146.8966 14.93016 -46.02427      42.94736 
1 1 1 -9  38 14 o 90.45218 21.41692 274.4028       111.8443 377.3199       407.2959 266.0093       116.3157 99.84351 41.69907 88.60790 22.38027 11.23560       47.32536 
1 1 1 -9  38 15 o 76.48639 22.52159 198.1088       107.8142 -236.6110      421.1916 228.5901       111.5300 72.42623 34.69601 81.92744 22.51820 -9.501205      41.36281 
1 1 1 -9  38 16 o 41.04140 18.80433 -51.34138      102.2033 -28.17131      431.2086 -52.72047      105.2009 79.57224 37.20189 41.59159 19.06450 37.98065       41.80235 
1 1 1 -9  38 17 o 62.15533 22.14067 119.8540       101.6591 297.8678       424.0273 108.9981       104.7130 92.88398 40.70863 60.64491 22.34665 32.23907       46.43884 
1 1 1 -9  38 18 o 66.32835 22.73669 143.7493       106.5938 -126.3697      425.9507 161.7956       110.0970 74.81539 35.57618 69.50121 23.10823 5.314178       42.42234 
1 1 1 -9  38 19 o 70.57941 22.69701 169.2209       106.6230 578.0916       396.5616 137.3602       110.6993 108.8484 42.66318 65.31194 23.12029 43.53646       48.52519 
1 1 1 -9  38 20 o 135.2702 15.49819 580.0674       120.7340 656.2253       397.2704 572.3177       126.7281 113.5625 43.17649 133.6972 16.51276 -20.13470      46.22640 
1 1 1 -9  38 21 o 38.17944 18.13870 -108.2393      110.2300 728.4396       388.4798 -181.5008      114.9548 118.5387 43.14465 35.02054 17.09336 83.51817       46.40737 
1 1 1 -9  38 22 f 53.11383 22.38227 45.32808       118.9767 -48.64040      374.1236 55.90064       125.4914 71.97814 33.96374 55.19308 23.10536 16.78506       41.07790 
1 1 1 -9  38 23 o 98.76963 22.46429 343.3224       127.1788 209.3056       392.3020 359.0612       134.4394 83.03811 37.57452 100.4633 23.27451 -17.42519      44.19895 
1 1 1 -9  38 24 o 124.1946 17.50491 506.4794       123.9686 765.1729       426.0613 482.5527       129.5748 113.9861 44.35286 120.0609 19.03654 -6.074791      48.26558 
1 1 1 -9  38 25 o 43.62135 20.13810 -55.28815      120.3418 -506.6143      427.7343 -16.49193      125.4075 61.67497 30.63653 47.65961 21.43383 14.01536       37.38992 
1 1 1 -9  38 26 o 61.27165 24.35146 109.5203       130.8265 221.4808       424.1937 97.75145       137.5307 82.14674 37.88252 60.44697 24.63276 21.69978       45.18692 
1 1 1 -9  38 27 o 61.49509 24.96934 106.8059       140.7107 0.000000       0.000000 106.8059       140.7107 ?        ?        61.49509 24.96934 0.000000       24.96934 
1 1 1 -9  38 28 o 137.5008 17.42160 625.6222       137.3406 0.000000       0.000000 625.6222       137.3406 ?        ?        137.5008 17.42160 0.000000       17.42160 
1 1 1 -9  38 29 o 102.0027 24.20531 386.8410       142.6120 0.000000       0.000000 386.8410       142.6120 ?        ?        102.0027 24.20531 0.000000       24.20531 
1 1 1 -9  39 1  o 73.37071 23.62262 176.3994       115.4734 68.47686       280.2896 198.4612       126.7276 75.75521 33.15211 77.25069 24.73490 -1.495483      41.36276 
1 1 1 -9  39 2  o 57.43816 22.91607 70.78666       116.2960 355.2819       283.8412 13.39300       127.4882 98.53586 36.70218 52.66306 22.70585 45.87280       43.15792 
1 1 1 -9  39 3  f 76.91474 22.38987 196.8249       107.0864 118.9182       291.9497 208.9360       115.1094 79.91879 34.40788 78.98817 23.27448 0.9306259      41.54038 
1 1 1 -9  39 4  o 66.14118 22.62772 136.7274       105.5621 427.3526       299.3962 95.46935       112.8065 105.1698 37.93238 60.32271 22.99021 44.84705       44.35555 
1 1 1 -9  39 5  o 55.51432 21.74936 71.04633       103.0238 137.4938       302.3993 62.32118       109.5792 81.74654 35.10407 55.28330 22.18067 26.46323       41.52443 
1 1 1 -9  39 6  f 133.8773 15.29703 557.5794       117.9527 675.7745       337.5767 541.1426       125.8874 127.6559 40.31205 131.1379 16.75014 -3.482033      43.65351 
1 1 1 -9  39 7  o 173.6933 12.89591 920.8218       130.4296 1351.784       344.5935 848.7557       140.9136 194.1547 31.32895 165.7871 14.64315 28.36754       34.58215 
1 1 1 -9  39 8  o 108.7943 17.65861 378.2130       108.8117 1310.542       320.5183 256.7637       115.6819 193.0856 29.21666 87.24996 22.47117 105.8356       36.85874 
1 1 1 -9  39 9  o 105.1546 18.93587 358.5551       112.4847 61.28552       307.1146 404.6119       120.8848 76.61793 34.06203 111.7423 19.13379 -35.12436      39.06819 
1 1 1 -9  39 10 o 116.9225 16.40686 432.4027       109.4141 345.2260       306.9245 445.0941       117.1080 96.13885 37.57666 118.1228 17.42734 -21.98394      41.42122 
1 1 1 -9  39 11 o 60.11877 22.26771 103.4780       104.2091 215.3224       316.8100 89.90869       110.3496 86.18677 36.43192 58.76355 22.65167 27.42322       42.89968 
1 1 1 -9  39 12 o 81.16637 22.79381 225.3352       112.9418 -117.1562      364.4513 261.7207       118.7897 71.86727 33.79075 87.35293 22.90888 -15.48566      40.82440 
1 1 1 -9  39 13 o 82.11811 22.36090 230.9958       110.5708 142.1937       376.1451 239.3951       115.6819 83.67171 37.41383 83.35348 22.94274 0.3182373      43.88808 
1 1 1 -9  39 14 o 36.55077 17.45692 -118.9294      104.8999 -641.8076      366.2202 -72.19403      109.4876 56.19989 27.98779 40.87806 18.98850 15.32183       33.82129 
1 1 1 -9  39 15 o 62.21308 22.51143 119.0236       105.5524 -489.2061      378.2458 170.3884       109.9190 60.67395 29.89470 70.99549 23.06331 -10.32154      37.75724 
1 1 1 -9  39 16 o 55.02266 21.90621 70.99767       106.0517 -637.3049      428.3706 117.2447       109.4591 61.42704 30.53786 62.11924 22.85476 -0.6921959     38.14317 
1 1 1 -9  39 17 o 75.66744 23.20323 199.0373       112.7411 150.8295       430.9549 202.5790       116.8090 84.50149 38.67815 76.18881 23.66291 8.312675       45.34239 
1 1 1 -9  39 18 o 58.77306 22.68116 95.82058       110.7279 310.7081       411.8604 79.07855       114.9604 90.80389 39.94806 56.96714 22.76539 33.83675       45.97946 
1 1 1 -9  39 19 o 180.6742 13.71376 1017.942       144.2272 1379.260       395.7448 962.6012       154.8790 177.8163 39.02194 174.4182 15.29551 3.398117       41.91258 
1 1 1 -9  39 20 o 77.10186 23.86746 212.2713       118.9487 139.6494       373.0726 220.4892       125.4985 79.64082 36.27470 78.24448 24.56172 1.396332       43.80790 
1 1 1 -9  39 21 o 60.67108 23.76475 105.4258       122.9803 559.7422       367.7795 48.23183       130.4919 103.9953 40.98734 54.81270 23.28476 49.18261       47.13960 
1 1 1 -9  39 22 o 107.1603 21.21832 397.3784       128.6310 998.7051       373.0468 316.2359       137.0352 140.9319 41.99411 92.72884 24.74059 48.20301       48.74015 
1 1 1 -9  39 23 o 74.99416 24.08013 203.7260       120.0457 683.5899       371.3737 147.7351       126.8560 111.7189 41.90684 66.36609 24.57090 45.35282       48.57893 
1 1 1 -9  39 24 o 45.19366 20.38010 -20.80456      114.2596 504.5921       348.5045 -84.08105      120.9445 98.25327 39.50937 41.55174 19.51452 56.70152       44.06593 
1 1 1 -9  39 25 o 135.8674 17.16394 607.8914       133.7211 381.8757       329.7527 652.3736       146.2893 89.15860 37.39788 139.8171 18.27745 -50.65851      41.62532 
1 1 1 -9  39 26 o 42.96325 20.09874 -75.13755      126.1844 -603.1992      373.6656 -7.168059      134.0596 54.75659 27.42069 49.42990 22.20112 5.326691       35.28149 
1 1 1 -9  39 27 o 81.01852 24.62311 247.5546       127.3329 -134.4002      413.7866 287.5072       133.8268 68.28951 33.12580 87.06399 24.93519 -18.77448      41.46183 
1 1 1 -9  40 1  o 221.4557 18.47135 1559.446       237.7205 1552.279       297.8917 1572.012       394.4621 215.4045 23.98695 205.0149 33.99761 10.38959       41.60783 
1 1 1 -9  40 2  o 214.9241 11.61090 1400.556       145.8096 1284.647       294.0165 1438.360       167.9125 193.0474 26.68176 216.7310 13.27394 -23.68358      29.80124 
1 1 1 -9  40 3  o 68.08062 23.85372 147.0174       117.6111 -21.98762      271.2661 186.1408       130.5161 68.37054 31.05940 74.70810 25.16521 -6.337555      39.97467 
1 1 1 -9  40 4  o 220.5661 11.24051 1472.590       144.9242 1148.107       314.5656 1560.021       163.2857 177.2438 31.41123 226.3098 12.34932 -49.06599      33.75161 
1 1 1 -9  40 5  o 190.9427 12.22268 1111.365       136.1550 1661.847       333.4047 1001.185       149.1598 219.6188 26.41484 179.9714 14.24798 39.64743       30.01248 
1 1 1 -9  40 6  o 67.36727 24.28533 141.5853       122.7006 402.8118       315.8712 95.16279       133.1576 100.2056 38.40157 61.99632 24.59066 38.20930       45.60023 
1 1 1 -9  40 7  o 64.32170 22.74000 129.1997       107.0589 229.1268       320.9333 116.6875       113.5639 86.72235 36.66376 62.85996 23.25252 23.86239       43.41556 
1 1 1 -9  40 8  o 93.14728 21.77004 294.3828       116.7789 254.3046       323.2946 300.3968       125.2344 88.14278 37.00454 93.44448 23.00755 -5.301697      43.57389 
1 1 1 -9  40 9  o 47.93158 20.62578 13.65982       104.8072 239.4238       307.8673 -15.93426      111.4650 86.25385 36.15462 46.16642 20.52260 40.08744       41.57323 
1 1 1 -9  40 10 o 63.10954 23.24064 120.3342       113.2299 -92.92187      298.8600 156.0765       122.3513 66.44811 31.03487 69.12242 24.32098 -2.674309      39.42935 
1 1 1 -9  40 11 o 50.32010 21.27371 30.42634       108.0490 -28.86340      304.0987 38.99282       115.5915 69.74812 32.13239 52.54939 22.09817 17.19873       38.99768 
1 1 1 -9  40 12 o 42.08195 19.22882 -46.93703      105.9142 140.6383       325.1047 -69.20940      112.0259 79.99461 35.33008 41.58369 19.27873 38.41092       40.24778 
1 1 1 -9  40 13 o 43.29941 19.70895 -41.80475      109.9028 74.95451       343.5585 -55.11519      115.9982 77.17221 35.01679 43.44670 19.95335 33.72551       40.30275 
1 1 1 -9  40 14 o 48.88115 20.85309 23.85945       105.4356 7.585009       385.2215 25.17733       109.6216 76.26993 35.49264 49.75642 21.24579 26.51351       41.36558 
1 1 1 -9  40 15 o 63.44234 22.83641 127.9868       108.4484 157.9953       389.7682 125.4687       112.9069 82.66766 37.42539 63.33769 23.22714 19.32997       44.04725 
1 1 1 -9  40 16 o 68.16213 24.23636 155.4866       121.7628 -355.6904      383.0709 212.9379       128.4232 63.33336 30.97509 77.24121 24.91590 -13.90785      39.75246 
1 1 1 -9  40 17 o 88.92721 23.15663 280.8941       121.9414 -188.1170      387.1505 332.5476       128.4809 68.13010 32.79986 97.10483 22.92967 -28.97473      40.02000 
1 1 1 -9  40 18 o 120.7114 18.68929 483.1011       128.0374 635.5507       373.2762 462.7728       136.3069 110.1776 41.86105 116.6459 20.68217 -6.468323      46.69154 
1 1 1 -9  40 19 o 76.20843 24.87183 210.7299       127.7562 359.8761       375.8998 191.2521       135.8424 90.13416 38.92584 73.14270 25.63533 16.99146       46.60892 
1 1 1 -9  40 20 o 108.8552 21.57345 412.0145       132.8576 378.5530       375.2875 416.8090       142.0573 90.70017 39.02984 108.2904 23.07426 -17.59023      45.34038 
1 1 1 -9  40 21 o 47.26347 21.42629 -26.90627      128.2756 606.7990       373.9957 -111.3946      136.5593 105.3748 41.39269 42.83400 20.30319 62.54078       46.10395 
1 1 1 -9  40 22 o 160.4061 14.61812 818.7542       136.0097 722.6202       358.4461 834.9232       147.0033 114.9356 41.49821 160.9777 15.77302 -46.04212      44.39470 
1 1 1 -9  40 23 o 172.9863 14.03212 947.8253       141.1379 1303.452       320.1837 862.0594       157.2385 179.3481 31.59424 162.4348 16.74522 16.91331       35.75750 
1 1 1 -9  40 24 o 166.6218 14.20288 882.2939       137.4683 792.5507       275.5520 912.0306       158.6168 133.5545 34.82578 167.3530 16.37001 -33.79849      38.48132 
1 1 1 -9  40 25 o 63.53388 24.47403 131.8561       128.7577 -284.3653      266.4506 258.6602       147.0690 52.63913 25.76347 81.48792 26.69124 -28.84879      37.09688 
1 1 1 -9  41 1  o 82.12056 24.69271 236.3556       128.5382 404.0887       286.6112 194.1256       143.8118 99.29286 36.90073 75.50532 26.38279 23.78754       45.36205 
1 1 1 -9  41 2  o 37.62850 18.04239 -136.5409      114.4685 -110.5084      279.5059 -141.7870      125.4735 63.76200 29.85598 39.66916 18.98581 24.09284       35.38136 
1 1 1 -9  41 3  o 51.76261 22.11782 26.48955       118.9535 -153.7905      300.0544 60.10656       129.5704 63.93698 30.24360 57.04562 23.64657 6.891357       38.39057 
1 1 1 -9  41 4  o 190.9804 12.96789 1122.001       144.3860 1096.383       324.3714 1128.331       161.2408 167.8712 34.11161 190.3820 14.55131 -22.51082      37.08561 
1 1 1 -9  41 5  o 106.4413 21.24279 381.6944       127.9599 880.2845       334.3627 296.1424       138.5036 143.4625 38.80906 91.31966 25.09162 52.14287       46.21399 
1 1 1 -9  41 6  f 133.6320 17.93444 576.5318       137.0106 1189.242       339.6073 457.4185       149.7372 174.2864 34.44648 115.5669 22.90233 58.71954       41.36517 
1 1 1 -9  41 7  o 47.20755 21.10204 -19.76560      119.5545 -54.29538      327.5919 -14.46000      128.4113 70.31261 32.72371 49.28328 21.96044 21.02932       39.40942 
1 1 1 -9  41 8  o 101.2702 22.61317 353.6053       130.9060 781.1870       334.9918 276.5442       142.2139 131.9640 39.90324 87.62601 25.88312 44.33796       47.56263 
1 1 1 -9  41 9  o 41.98133 19.42916 -65.66488      113.0408 -197.7928      364.5369 -51.60798      118.9020 67.41988 32.29252 44.27951 20.28590 23.14037       38.13560 
1 1 1 -9  41 10 o 73.26280 23.77154 185.5681       116.7929 -199.8741      334.7887 238.9763       124.6221 64.64503 30.95900 82.11269 24.22287 -17.46766      39.30912 
1 1 1 -9  41 11 o 77.40094 24.07801 211.0372       120.8894 -6.192883      326.0802 245.6519       130.1652 71.53098 33.06754 82.84496 24.83437 -11.31399      41.35466 
1 1 1 -9  41 12 o 166.4282 13.72033 863.5364       132.7305 513.1704       347.5967 923.3442       143.6130 103.8173 40.15334 171.6163 14.40142 -67.79903      42.65784 
1 1 1 -9  41 13 o 72.97175 23.80565 186.3849       117.0438 -304.0494      350.3857 247.9832       124.1768 61.94931 30.14920 83.18425 24.07990 -21.23494      38.58518 
1 1 1 -9  41 14 o 58.58176 22.71582 96.32346       111.4613 144.4633       356.6988 91.11426       117.3370 79.30293 35.86203 58.47069 23.11807 20.83224       42.66767 
1 1 1 -9  41 15 o 50.55164 21.76253 25.69853       116.7736 -619.8789      358.5809 102.2847       123.5060 54.49074 27.22359 60.42997 23.77188 -5.939228      36.14175 
1 1 1 -9  41 16 o 141.1026 15.91634 639.5263       129.4173 359.4579       358.8683 681.3946       138.7540 90.22640 38.48106 145.1536 16.59726 -54.92722      41.90776 
1 1 1 -9  41 17 o 142.6333 15.96257 654.7361       131.2411 456.8423       357.9830 685.4639       141.0628 96.09684 39.51691 145.2370 16.87474 -49.14021      42.96910 
1 1 1 -9  41 18 o 102.9411 22.54098 375.3510       132.3065 638.1815       361.1926 334.6193       142.1893 109.0781 41.23869 95.00059 25.13515 14.07747       48.29498 
1 1 1 -9  41 19 o 59.53991 24.08124 94.49126       130.2952 -131.3779      382.3798 124.1618       138.5892 67.96431 32.68863 63.79530 25.15530 4.169006       41.24725 
1 1 1 -9  41 20 o 170.7601 15.49576 936.8425       153.4971 1314.591       382.1186 864.1595       167.6151 167.0463 39.60929 161.5745 17.99337 5.471756       43.50468 
1 1 1 -9  41 21 o 55.02848 23.53974 51.74328       135.0137 495.2231       347.1441 -27.29498      146.5519 96.50298 39.20615 49.80655 22.70497 46.69643       45.30604 
1 1 1 -9  41 22 o 82.68603 26.91284 266.7078       149.6358 148.9876       334.7935 296.0945       167.2732 75.33515 34.33281 85.78137 28.48228 -10.44622      44.60921 
1 1 1 -9  41 23 o 76.57634 27.05666 225.8208       151.5442 -209.8041      328.1189 343.9417       170.8592 60.56603 29.40696 91.99192 28.62628 -31.42589      41.03941 
1 1 1 -9  42 1  o 148.1391 16.79351 702.4006       143.3313 667.6943       330.2641 710.4544       159.0947 120.1948 40.02465 147.4702 18.82357 -27.27546      44.23007 
1 1 1 -9  42 2  o 221.4323 12.16160 1503.331       157.3299 1408.324       310.8676 1536.045       182.4168 197.8030 27.54344 222.2148 14.06944 -24.41180      30.92879 
1 1 1 -9  42 3  o 63.34446 24.23763 118.0409       125.7020 -25.44057      306.4602 147.0635       137.8301 69.29343 32.04167 68.10208 25.53331 1.191345       40.97094 
1 1 1 -9  42 4  o 84.25801 25.61111 256.3515       137.7500 -135.4323      303.0608 358.3694       154.6481 64.08170 30.33661 99.12485 26.20708 -35.04315      40.08891 
1 1 1 -9  42 5  o 83.21289 24.89707 248.4291       130.9176 171.4388       306.4312 265.6198       144.7977 79.69841 34.77509 85.28665 26.32182 -5.588242      43.61358 
1 1 1 -9  42 6  f 126.2240 18.87972 524.8464       135.4750 668.9955       320.7072 493.5369       149.4653 120.0983 39.41942 120.0428 22.04222 0.5551147E-01  45.16360 
1 1 1 -9  42 7  o 83.13632 24.79839 248.9358       130.0341 144.2263       336.5798 267.3065       140.9802 79.12714 35.38589 85.51301 25.89247 -6.385872      43.84725 
1 1 1 -9  42 8  o 54.44506 22.73676 53.37582       121.0765 496.6311       304.0270 -30.17401      131.9951 104.0166 38.11957 48.15019 21.79082 55.86639       43.90833 
1 1 1 -9  42 9  o 56.46731 23.40443 65.09549       126.9120 -269.3451      309.6601 132.6129       139.1341 59.19370 28.70015 65.77895 25.41396 -6.585258      38.33494 
1 1 1 -9  42 10 o 111.0116 20.48055 418.0768       128.4289 381.3589       361.4376 423.3827       137.3950 92.78377 39.05023 110.6442 21.94863 -17.86045      44.79579 
1 1 1 -9  42 11 o 151.8344 15.99988 738.3185       140.3352 486.0201       383.6879 777.2823       150.7827 98.89453 40.81398 155.1328 16.84283 -56.23828      44.15271 
1 1 1 -9  42 12 o 102.8566 23.20031 375.8795       136.6068 821.8154       368.8476 304.9877       147.0648 125.9152 42.30439 90.24303 26.22947 35.67214       49.77596 
1 1 1 -9  42 13 o 55.79248 22.97443 68.73120       121.2173 -69.46874      375.6388 84.79516       128.0686 70.35725 33.44278 58.47011 23.79155 11.88714       41.04213 
1 1 1 -9  42 14 o 43.22276 19.92738 -53.75867      117.2711 -176.4667      340.3908 -37.23251      124.9187 64.06097 30.81904 45.94435 20.95124 18.11662       37.26618 
1 1 1 -9  42 15 o 49.23119 21.83191 1.102981       125.3769 334.7202       327.9634 -55.99862      135.6830 87.78357 37.08534 46.34758 21.39188 41.43599       42.81279 
1 1 1 -9  42 16 o 83.47043 24.77056 258.4844       130.0051 211.6266       334.6754 266.8115       141.0846 79.98262 35.55774 84.02615 25.99064 -4.043533      44.04391 
1 1 1 -9  42 17 o 66.03074 25.40372 143.5980       138.6022 16.81247       344.4680 168.0895       151.3986 70.64429 33.09974 69.64274 26.61168 1.001549       42.47087 
1 1 1 -9  42 18 o 86.37354 25.59687 283.8964       138.9001 177.9475       356.3122 302.8821       150.8328 77.83577 35.45175 88.28105 26.79270 -10.44528      44.43732 
1 1 1 -9  42 19 o 69.48578 25.75081 172.0761       139.3928 422.5530       354.5889 126.2932       151.5977 91.11333 38.53008 64.41544 26.00318 26.69788       46.48368 
1 1 1 -9  42 20 o 70.19458 26.59501 176.2970       150.4093 88.20929       358.5379 195.1100       165.6942 73.49760 34.21560 72.78625 27.83310 0.7113495      44.10656 
1 1 1 -9  42 21 o 42.96320 20.84595 -191.2446      164.1433 764.0449       392.6530 -393.5375      180.6890 111.5349 42.79702 38.35821 19.18798 73.17664       46.90163 
1 1 1 -9  43 1  o 97.77704 23.05665 337.7943       130.0511 423.4756       323.0665 321.2247       142.0707 96.36295 38.27695 93.72196 25.27347 2.640984       45.86799 
1 1 1 -9  43 2  o 87.22591 25.54651 279.6425       139.0378 161.9254       290.0389 314.7653       158.4278 77.23279 33.76297 91.26027 27.40760 -14.02748      43.48695 
1 1 1 -9  43 3  o 58.56139 24.19436 76.11688       135.0256 -67.06136      307.7804 110.2413       150.2572 66.39238 31.16485 63.85282 25.84772 2.539558       40.48892 
1 1 1 -9  43 4  o 98.41177 24.48227 350.1743       140.7233 568.7032       302.6416 289.8929       158.9520 109.9257 38.28155 87.39066 27.67016 22.53507       47.23468 
1 1 1 -9  43 5  o 68.49359 25.65369 155.6483       139.0581 82.60308       313.4132 173.5526       155.1675 73.59937 33.41523 71.45966 27.02645 2.139717       42.97681 
1 1 1 -9  43 6  o 80.80934 26.22135 241.9393       142.1051 433.7075       336.6039 200.3475       156.7597 95.90886 38.73618 74.79995 27.37866 21.10891       47.43504 
1 1 1 -9  43 7  o 88.68678 25.03043 289.5565       135.8408 185.0663       312.0977 313.9779       150.8824 78.84874 34.72849 91.26406 26.57970 -12.41532      43.73270 
1 1 1 -9  43 8  o 117.0068 21.48596 472.7144       142.0087 245.9636       334.1688 522.6887       156.8790 82.92196 36.24553 122.0895 22.74638 -39.16753      42.79177 
1 1 1 -9  43 9  o 196.3757 13.06476 1201.303       149.6107 967.2091       354.3893 1252.072       165.0387 141.4691 40.59625 199.4480 14.20223 -57.97882      43.00882 
1 1 1 -9  43 10 o 120.4074 20.94416 497.4945       142.5318 58.35839       358.5225 579.9277       155.3345 74.13962 34.41229 130.0435 21.08880 -55.90384      40.36017 
1 1 1 -9  43 11 o 66.16430 24.64431 145.5935       127.9743 172.0851       388.1061 142.3617       135.5557 80.11093 36.68219 66.10148 25.19973 14.00945       44.50404 
1 1 1 -9  43 12 o 71.28324 25.10505 181.3037       130.3898 -47.18698      350.2961 218.0537       140.4848 69.02206 32.65751 76.67354 26.10652 -7.651482      41.80985 
1 1 1 -9  43 13 o 63.61489 25.03332 124.2902       137.0022 106.0845       343.3464 127.7378       149.4121 74.69567 34.31355 64.85972 25.94195 9.835953       43.01632 
1 1 1 -9  43 14 o 37.18805 18.22148 -210.4082      134.4127 -342.5059      333.6465 -184.8158      146.8571 57.73199 28.37270 40.62308 19.71220 17.10892       34.54824 
1 1 1 -9  43 15 o 61.69834 24.78680 110.7321       137.0303 81.01919       307.1136 118.1179       153.1168 71.08019 32.57843 63.73103 25.98356 7.349167       41.67132 
1 1 1 -9  43 16 o 92.91087 27.58157 341.0687       161.1636 389.8716       312.2637 323.3488       188.1609 89.87978 36.92815 88.19453 30.20899 1.685249       47.71029 
1 1 1 -9  43 17 o 85.70137 28.86175 297.4526       171.6758 390.0266       333.6434 264.1167       200.2141 89.23595 37.53564 80.64549 30.65382 8.590462       48.46216 
1 1 1 -9  43 18 o 78.91413 27.39017 243.5233       154.8666 104.5336       364.6148 274.1169       171.0638 74.14444 34.51255 82.38979 28.77512 -8.245354      44.93467 
1 1 1 -9  43 19 o 54.79788 23.82710 43.75206       142.8029 492.9000       363.0595 -38.45376      155.3225 93.80012 39.28603 49.93930 22.99129 43.86082       45.51913 
1 1 1 -9  44 1  o 161.9239 15.50723 838.0989       145.4663 920.7432       305.6986 813.9081       165.3915 145.5644 36.00932 157.0971 18.29306 -11.53268      40.38945 
1 1 1 -9  44 2  o 73.68604 25.78821 195.8898       137.4359 -58.26439      309.7634 258.1832       153.3566 66.12708 31.11074 82.42532 27.26836 -16.29823      41.36958 
1 1 1 -9  44 3  o 115.7787 22.18838 468.7219       145.1803 508.1710       327.5251 459.0754       161.9609 101.0369 39.00390 111.8391 25.28784 -10.80221      46.48418 
1 1 1 -9  44 4  o 78.28874 26.40758 228.2693       143.7201 -156.8745      332.7294 316.6095       159.3525 64.04173 30.72131 90.56395 27.54994 -26.52222      41.26497 
1 1 1 -9  44 5  o 116.5330 23.14046 481.9140       152.5720 397.5393       338.2307 503.4686       170.9530 92.02734 38.18130 116.8479 25.65094 -24.82055      45.99764 
1 1 1 -9  44 6  o 131.8936 20.93106 596.7445       156.5053 887.5021       340.5518 518.8951       176.2160 134.6155 40.12624 118.0844 26.13663 16.53104       47.88777 
1 1 1 -9  44 7  o 166.5451 16.87974 902.6688       162.5981 798.0929       365.3748 928.4933       181.5680 121.6355 42.07891 166.9277 18.87729 -45.29221      46.11926 
1 1 1 -9  44 8  o 99.93759 25.32721 372.7502       148.6087 463.1988       359.3257 354.0872       163.2221 95.09666 39.39532 95.28563 27.61453 -0.1889725     48.10981 
1 1 1 -9  44 9  o 58.74559 24.59879 78.13515       142.2927 -38.13404      397.1126 95.26216       152.4130 71.45737 34.08348 61.48112 25.57949 9.976246       42.61448 
1 1 1 -9  44 10 o 94.75738 24.49018 333.2011       137.0781 551.0381       374.7422 299.5509       147.2855 99.63122 40.63839 88.22038 26.41051 11.41084       48.46641 
1 1 1 -9  44 11 o 61.28883 25.15792 101.4344       144.7568 -368.2556      405.2015 170.1482       154.9842 62.36094 30.76685 69.79585 26.86028 -7.434910      40.84206 
1 1 1 -9  44 12 o 48.35975 22.05804 -30.30108      138.5730 -42.51331      403.5155 -28.66829      147.5462 71.07630 34.02544 49.84877 22.74634 21.22753       40.92831 
1 1 1 -9  44 13 o 88.29982 26.30166 301.3678       146.3571 314.4848       397.6480 299.3125       157.4065 84.79538 38.14816 87.02129 27.53307 -2.225914      47.04627 
1 1 1 -9  44 14 o 90.63895 26.95576 321.9424       153.8228 247.8942       383.6620 336.1253       167.9091 81.28331 36.93024 91.34388 28.37062 -10.06057      46.56968 
1 1 1 -9  44 15 o 48.00309 22.48532 -78.62498      158.7817 -374.2836      342.3052 2.431295       179.2304 57.01980 28.15910 55.94083 25.34681 1.078976       37.88662 
1 1 1 -9  44 16 o 52.35467 24.38716 -57.37893      182.5645 -348.7599      342.4871 58.28082       215.7768 57.41394 28.31854 62.96000 28.23098 -5.546055      39.98660 
1 1 1 -9  45 1  o 153.9824 27.69312 900.8884       240.8946 1141.965       318.3008 577.6904       368.5487 164.2013 34.16658 102.0348 40.76608 62.16653       53.19049 
1 1 1 -9  45 2  o 70.27204 26.24859 175.1646       145.3812 -226.4972      325.6194 275.1666       162.4742 60.41226 29.32357 83.58818 28.07717 -23.17592      40.59802 
1 1 1 -9  45 3  o 74.93051 26.99434 210.0238       151.5725 280.6413       350.0499 193.7283       168.1537 83.24509 36.71754 73.03622 28.01128 10.20887       46.18235 
1 1 1 -9  45 4  f 98.47634 26.66719 373.4581       157.7746 -479.0626      373.6724 558.4153       174.0500 57.60245 28.61718 123.2211 24.94148 -65.61863      37.96077 
1 1 1 -9  45 5  o 127.2484 23.38845 580.8462       168.1137 164.0377       394.9604 673.0704       185.7838 78.47246 36.31738 136.4195 24.10220 -57.94701      43.58748 
1 1 1 -9  45 6  o 64.53424 27.15013 110.5996       174.6068 22.73837       391.9019 132.3598       195.0339 72.81862 34.48012 67.84878 28.62773 4.969841       44.81546 
1 1 1 -9  45 7  o 106.5125 26.17326 431.6700       162.3087 986.3397       391.0438 316.2228       178.4020 132.2881 43.53355 87.96317 29.41960 44.32494       52.54220 
1 1 1 -9  45 8  f 100.9769 27.56259 400.3665       167.7610 587.3262       370.6642 352.2033       188.1329 101.7276 40.80149 91.95047 30.19235 9.777130       50.75765 
1 1 1 -9  45 9  o 67.07539 25.86269 152.7290       143.8808 -71.50012      361.5487 194.9222       156.8347 67.66885 32.34364 72.69536 27.24067 -5.026505      42.28670 
1 1 1 -9  45 10 o 40.25759 19.64230 -206.8342      151.3948 3.119659       413.9571 -239.2529      162.6637 72.64017 34.68932 40.78101 19.99500 31.85916       40.03934 
1 1 1 -9  45 11 o 89.92715 27.02261 319.2840       153.9758 934.4822       405.0830 215.3870       166.4708 123.5782 44.17722 74.94432 28.06884 48.63388       52.34010 
1 1 1 -9  45 12 o 65.36747 26.25665 137.9591       153.7379 495.4509       422.6187 83.43644       165.0457 92.06815 40.48669 60.70525 25.99859 31.36290       48.11547 
1 1 1 -9  46 1  o 55.04083 24.08607 37.11565       147.9373 11.46148       301.3857 45.25880       169.8008 66.96119 31.23854 58.17382 25.61939 8.787365       40.40049 
1 1 1 -9  46 2  o 102.2511 25.06600 393.4815       149.1343 167.0488       302.4746 466.2051       171.4183 74.80574 33.49255 109.7880 26.84930 -34.98225      42.92593 
1 1 1 -9  46 3  o 38.97332 18.97953 -187.9216      139.4720 -698.6146      335.4850 -81.21413      153.3524 49.51454 24.95362 47.03271 22.05217 2.481831       33.30137 
1 1 1 -9  46 4  o 55.22231 24.32364 33.19561       153.1191 -774.4022      358.4350 213.4724       169.3490 50.18082 25.35068 74.69961 28.23840 -24.51878      37.94817 
1 1 1 -9  46 5  o 87.05092 28.02972 306.0041       162.5761 303.6400       359.4962 306.6119       182.2807 83.00910 36.88089 85.74921 29.71825 -2.740112      47.36427 
1 1 1 -8  0  1  o 1159.538 26.70850 39725.27       1814.112 39725.27       1814.112 39725.27       1814.112 1159.538 26.70850 1159.538 26.70850 0.000000       0.000000 
1 1 1 -8  0  2  o 415.2533 11.42506 5073.577       277.7653 5073.577       277.7653 5073.577       277.7653 415.2533 11.42506 415.2533 11.42506 -0.000000      0.000000 
1 1 1 -8  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  4  o 125.4297 13.40219 477.6766       95.75397 477.6766       95.75397 477.6766       95.75397 125.4297 13.40219 125.4297 13.40219 -0.000000      0.000000 
1 1 1 -8  0  5  o 398.8275 11.13908 4681.260       260.0867 4681.260       260.0867 4681.260       260.0867 398.8275 11.13908 398.8275 11.13908 0.000000       0.000000 
1 1 1 -8  0  6  o 87.62659 16.99256 249.5070       77.88793 249.5070       77.88793 249.5070       77.88793 87.62659 16.99256 87.62659 16.99256 0.000000       0.000000 
1 1 1 -8  0  7  o 70.07420 20.26496 176.2402       72.24300 176.2402       72.24300 176.2402       72.24300 70.07420 20.26496 70.07420 20.26496 0.000000       0.000000 
1 1 1 -8  0  8  o 373.0167 10.58365 4095.116       231.1122 4095.116       231.1122 4095.116       231.1122 373.0167 10.58365 373.0167 10.58365 -0.000000      0.000000 
1 1 1 -8  0  9  o 842.2959 19.74986 20925.19       974.4056 20925.19       974.4056 20925.19       974.4056 842.2959 19.74986 842.2959 19.74986 -0.000000      0.000000 
1 1 1 -8  0  10 o 118.7947 10.94180 424.7102       74.66491 424.7102       74.66491 424.7102       74.66491 118.7947 10.94180 118.7947 10.94180 -0.000000      0.000000 
1 1 1 -8  0  11 o 489.7166 12.51404 7055.159       358.8820 7055.159       358.8820 7055.159       358.8820 489.7166 12.51404 489.7166 12.51404 -0.000000      0.000000 
1 1 1 -8  0  12 o 90.40031 13.27264 254.8963       65.93200 254.8963       65.93200 254.8963       65.93200 90.40031 13.27264 90.40031 13.27264 -0.000000      0.000000 
1 1 1 -8  0  13 o 178.1955 9.129210 938.8920       94.83246 938.8920       94.83246 938.8920       94.83246 178.1955 9.129210 178.1955 9.129210 -0.000000      0.000000 
1 1 1 -8  0  14 o 982.6514 22.74020 28436.13       1308.937 28436.13       1308.937 28436.13       1308.937 982.6514 22.74020 982.6514 22.74020 -0.000000      0.000000 
1 1 1 -8  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  16 o 833.6521 19.54980 20452.29       954.6364 20452.29       954.6364 20452.29       954.6364 833.6521 19.54980 833.6521 19.54980 -0.000000      0.000000 
1 1 1 -8  0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  18 o 595.9913 14.80989 10448.03       516.9349 10448.03       516.9349 10448.03       516.9349 595.9913 14.80989 595.9913 14.80989 -0.000000      0.000000 
1 1 1 -8  0  19 o 424.6238 11.87726 5304.112       295.2583 5304.112       295.2583 5304.112       295.2583 424.6238 11.87726 424.6238 11.87726 -0.000000      0.000000 
1 1 1 -8  0  20 o 330.4733 10.69944 3214.984       206.8781 3214.984       206.8781 3214.984       206.8781 330.4733 10.69944 330.4733 10.69944 -0.000000      0.000000 
1 1 1 -8  0  21 o 419.9276 11.60058 5187.784       285.2033 5187.784       285.2033 5187.784       285.2033 419.9276 11.60058 419.9276 11.60058 -0.000000      0.000000 
1 1 1 -8  0  22 o 282.7901 10.01501 2355.829       165.6255 2355.829       165.6255 2355.829       165.6255 282.7901 10.01501 282.7901 10.01501 0.000000       0.000000 
1 1 1 -8  0  23 o 486.5763 12.66349 6967.765       360.8192 6967.765       360.8192 6967.765       360.8192 486.5763 12.66349 486.5763 12.66349 -0.000000      0.000000 
1 1 1 -8  0  24 o 613.7588 15.10078 11095.44       542.8167 11095.44       542.8167 11095.44       542.8167 613.7588 15.10078 613.7588 15.10078 0.000000       0.000000 
1 1 1 -8  0  25 o 209.2207 9.474726 1293.030       115.7133 1293.030       115.7133 1293.030       115.7133 209.2207 9.474726 209.2207 9.474726 0.000000       0.000000 
1 1 1 -8  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  28 o 475.7783 10.50579 6662.499       292.8234 6662.499       292.8234 6662.499       292.8234 475.7783 10.50579 475.7783 10.50579 0.000000       0.000000 
1 1 1 -8  0  29 o 130.2496 11.42370 510.2878       85.65197 510.2878       85.65197 510.2878       85.65197 130.2496 11.42370 130.2496 11.42370 0.000000       0.000000 
1 1 1 -8  0  30 o 169.8003 9.599297 855.4470       94.88931 855.4470       94.88931 855.4470       94.88931 169.8003 9.599297 169.8003 9.599297 -0.000000      0.000000 
1 1 1 -8  0  31 o 447.7862 10.06293 5904.042       263.9674 5904.042       263.9674 5904.042       263.9674 447.7862 10.06293 447.7862 10.06293 0.000000       0.000000 
1 1 1 -8  0  32 o 177.3797 10.66171 935.2659       109.9860 935.2659       109.9860 935.2659       109.9860 177.3797 10.66171 177.3797 10.66171 0.000000       0.000000 
1 1 1 -8  0  33 o 131.6954 13.62274 527.0029       102.4113 527.0029       102.4113 527.0029       102.4113 131.6954 13.62274 131.6954 13.62274 0.000000       0.000000 
1 1 1 -8  0  34 o 102.0436 19.12659 338.0067       102.7003 338.0067       102.7003 338.0067       102.7003 102.0436 19.12659 102.0436 19.12659 -0.000000      0.000000 
1 1 1 -8  0  35 o 380.1866 9.793243 4258.763       218.0330 4258.763       218.0330 4258.763       218.0330 380.1866 9.793243 380.1866 9.793243 0.000000       0.000000 
1 1 1 -8  0  36 o 88.84968 24.44047 281.4681       110.1132 281.4681       110.1132 281.4681       110.1132 88.84968 24.44047 88.84968 24.44047 0.000000       0.000000 
1 1 1 -8  0  37 o 43.97158 25.45736 72.90062       106.7585 72.90062       106.7585 72.90062       106.7585 43.97158 25.45736 43.97158 25.45736 0.000000       0.000000 
1 1 1 -8  0  38 o 65.17174 29.11996 184.9303       118.2853 184.9303       118.2853 184.9303       118.2853 65.17174 29.11996 65.17174 29.11996 0.000000       0.000000 
1 1 1 -8  0  39 o 51.45625 28.34221 113.2044       123.9215 113.2044       123.9215 113.2044       123.9215 51.45625 28.34221 51.45625 28.34221 -0.000000      0.000000 
1 1 1 -8  0  40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  41 o 202.6534 11.50718 1226.338       135.7478 1226.338       135.7478 1226.338       135.7478 202.6534 11.50718 202.6534 11.50718 0.000000       0.000000 
1 1 1 -8  0  42 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  43 o 28.74454 19.78007 -71.24178      109.5473 -71.24178      109.5473 -71.24178      109.5473 28.74454 19.78007 28.74454 19.78007 0.000000       0.000000 
1 1 1 -8  0  44 o 104.1892 23.73774 378.0298       126.4042 378.0298       126.4042 378.0298       126.4042 104.1892 23.73774 104.1892 23.73774 0.000000       0.000000 
1 1 1 -8  0  45 o 55.58418 28.79475 146.9743       121.1727 146.9743       121.1727 146.9743       121.1727 55.58418 28.79475 55.58418 28.79475 0.000000       0.000000 
1 1 1 -8  0  46 o 47.18165 27.71991 93.89903       129.6458 93.89903       129.6458 93.89903       129.6458 47.18165 27.71991 47.18165 27.71991 0.000000       0.000000 
1 1 1 -8  0  47 o 30.30795 21.03205 -93.27666      130.4501 -93.27666      130.4501 -93.27666      130.4501 30.30795 21.03205 30.30795 21.03205 0.000000       0.000000 
1 1 1 -8  0  48 o 118.3105 23.54263 484.5737       145.0689 484.5737       145.0689 484.5737       145.0689 118.3105 23.54263 118.3105 23.54263 0.000000       0.000000 
1 1 1 -8  0  49 o 41.36744 26.79342 26.24105       153.5543 26.24105       153.5543 26.24105       153.5543 41.36744 26.79342 41.36744 26.79342 0.000000       0.000000 
1 1 1 -8  0  50 o 72.16570 32.76279 256.7981       149.8124 256.7981       149.8124 256.7981       149.8124 72.16570 32.76279 72.16570 32.76279 0.000000       0.000000 
1 1 1 -8  0  51 o 66.97031 34.83506 242.5561       177.8454 242.5561       177.8454 242.5561       177.8454 66.97031 34.83506 66.97031 34.83506 0.000000       0.000000 
1 1 1 -8  1  1  o 709.9352 12.01416 14815.73       500.2221 14618.40       699.8677 15021.80       715.2239 704.3395 16.94273 713.9632 17.08109 -9.623718      24.05868 
1 1 1 -8  1  2  o 887.5063 14.66473 23183.64       763.3016 22887.59       1070.196 23490.19       1088.992 880.1885 20.73181 891.6707 20.82427 -11.48224      29.38466 
1 1 1 -8  1  3  o 571.8344 14.24909 9623.937       477.8678 9557.294       670.2906 9692.819       681.4623 568.4670 20.13696 572.4415 20.33061 -3.974426      28.61522 
1 1 1 -8  1  4  o 215.6295 6.891620 1366.081       87.04063 1406.171       121.5024 1323.819       124.7499 218.5868 9.500552 212.0292 10.06085 6.557602       13.83767 
1 1 1 -8  1  5  o 148.6240 7.693056 650.2711       66.82787 593.9049       92.70492 711.2485       96.42244 141.6839 11.24887 155.1922 10.65867 -13.50829      15.49658 
1 1 1 -8  1  6  o 152.4645 7.289427 683.9875       64.99092 749.4631       91.69634 617.8951       92.12726 159.3979 9.857089 144.5607 10.94783 14.83730       14.73151 
1 1 1 -8  1  7  o 488.4165 8.859459 7007.765       253.7746 7106.522       362.4605 6912.803       355.4257 491.2383 12.59146 484.5041 12.51886 6.734222       17.75575 
1 1 1 -8  1  8  o 196.1346 6.399931 1130.285       73.51878 1134.327       104.1136 1126.265       103.8295 196.2906 9.068442 195.5896 9.076327 0.7009277      12.83029 
1 1 1 -8  1  9  o 272.4067 6.490208 2177.934       103.6876 2207.283       148.1093 2149.725       145.2067 273.9561 9.231487 270.3617 9.171071 3.594360       13.01264 
1 1 1 -8  1  10 o 151.4081 6.543346 674.0290       57.96594 715.2446       82.06020 632.9816       81.89251 155.7973 9.019503 146.4825 9.585182 9.314880       13.16158 
1 1 1 -8  1  11 o 61.99755 11.79770 116.7151       41.32981 176.9593       56.47464 47.24150       60.64647 76.51970 13.05219 45.73922 16.97882 30.78048       21.41588 
1 1 1 -8  1  12 o 767.7155 12.79228 17321.00       575.9684 17186.35       809.9584 17458.74       819.2050 763.8920 18.07924 769.9099 18.14271 -6.017822      25.61283 
1 1 1 -8  1  13 o 426.2300 8.020800 5331.243       200.4990 5337.026       284.7664 5325.557       282.3459 426.1491 11.40426 425.6976 11.31919 0.4515076      16.06802 
1 1 1 -8  1  14 o 832.4659 13.77607 20361.10       672.5774 21102.61       978.7380 19697.63       925.8040 846.6243 19.71175 818.0233 19.29758 28.60101       27.58532 
1 1 1 -8  1  15 o 983.8167 16.08661 28455.37       928.1738 28586.03       1318.690 28327.08       1306.665 984.7925 22.83219 980.3453 22.72660 4.447144       32.21502 
1 1 1 -8  1  16 o 1045.742 19.68896 32193.82       1207.529 31157.66       2031.616 32759.83       1501.542 1024.317 33.86524 1053.817 24.29529 -29.49951      41.67872 
1 1 1 -8  1  17 o 484.7088 8.886174 6895.200       252.6075 7015.093       361.6537 6780.986       352.9859 488.5331 12.63319 480.3151 12.54158 8.218048       17.80137 
1 1 1 -8  1  18 o 452.0571 8.621747 5997.489       228.5805 6313.997       333.2064 5716.136       314.1572 463.4725 12.26933 440.9779 12.15890 22.49460       17.27355 
1 1 1 -8  1  19 o 260.8218 7.503623 1997.844       114.6605 2092.325       166.0579 1911.752       158.5139 266.7257 10.63692 254.9383 10.62514 11.78743       15.03455 
1 1 1 -8  1  20 o 490.6726 9.080409 7067.650       261.3051 7119.147       371.5487 7017.251       367.5658 492.0192 12.88716 488.4880 12.84126 3.531189       18.19277 
1 1 1 -8  1  21 o 394.3288 7.891096 4563.838       182.4930 4653.037       261.3275 4478.934       254.9586 397.8236 11.21185 390.3097 11.14949 7.513916       15.81192 
1 1 1 -8  1  22 o 1000.209 16.35744 29469.94       959.5261 29358.49       1353.325 29582.59       1360.654 996.0437 23.16719 999.8232 23.20459 -3.779541      32.78981 
1 1 1 -8  1  23 o 569.1042 10.01431 9516.450       334.2438 9541.091       474.0257 9492.085       471.3698 569.2649 14.19832 567.8080 14.15500 1.456909       20.04885 
1 1 1 -8  1  24 o 649.9675 15.79965 12460.02       602.2678 12169.72       840.9723 12765.68       862.9223 640.0970 22.43662 655.5856 22.47680 -15.48853      31.75860 
1 1 1 -8  1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  1  26 o 271.7282 7.793997 2171.117       124.0785 2037.763       216.2571 2236.560       151.4949 262.4122 14.10374 275.6278 9.385525 -13.21561      16.94118 
1 1 1 -8  1  27 o 557.2864 8.072363 9128.740       263.8333 8934.061       362.5503 9347.895       384.6642 550.7013 11.22540 563.2130 11.64551 -12.51166      16.17490 
1 1 1 -8  1  28 o 245.4388 7.348329 1771.948       105.6557 1799.745       146.3006 1741.647       152.7472 247.0181 10.12016 242.9005 10.74908 4.117645       14.76348 
1 1 1 -8  1  29 o 249.6086 7.393959 1833.162       108.1205 1918.822       150.7348 1742.384       155.1728 255.0133 10.09857 242.8570 10.92263 12.15628       14.87565 
1 1 1 -8  1  30 o 185.5741 6.450295 1013.141       70.09496 1050.845       97.41798 972.6658       100.9340 188.7363 8.825463 181.4734 9.516874 7.262894       12.97920 
1 1 1 -8  1  31 o 197.5291 6.602023 1147.997       76.37442 1090.166       105.7203 1211.124       110.4546 192.1467 9.410183 202.5623 9.322680 -10.41568      13.24628 
1 1 1 -8  1  32 o 258.5800 6.268188 1964.688       95.05774 1963.464       136.1706 1965.850       132.7582 258.0650 9.010949 258.2574 8.777884 -0.1923828     12.57968 
1 1 1 -8  1  33 o 324.2708 6.631060 3090.399       126.1076 3072.628       177.6410 3108.454       179.0535 322.8371 9.392282 324.7116 9.412240 -1.874481      13.29681 
1 1 1 -8  1  34 o 45.27505 18.37979 25.72592       76.22465 3.051932       111.0254 45.94254       104.8365 50.30629 21.42792 54.32864 21.73015 -4.022350      30.51811 
1 1 1 -8  1  35 o 127.5815 9.972821 482.9521       74.02768 434.2347       106.2699 528.8779       103.1803 119.9059 15.47220 132.9469 13.41666 -13.04109      20.47915 
1 1 1 -8  1  36 o 164.4117 8.960685 799.1636       86.07553 759.0119       120.9301 840.3945       122.5443 159.4813 13.04310 167.9738 12.52971 -8.492538      18.08635 
1 1 1 -8  1  37 o 147.6421 10.34770 647.5123       89.03195 703.4126       123.3483 586.7141       128.6387 153.1563 13.88310 139.2223 16.04808 13.93401       21.21983 
1 1 1 -8  1  38 o 303.4483 6.988431 2711.328       124.3698 2753.141       179.8745 2673.030       172.1505 304.9420 10.07159 300.5501 9.779566 4.391846       14.03841 
1 1 1 -8  1  39 o 55.64065 22.94305 36.45615       121.1038 -24.98376      168.2272 102.5459       174.4770 58.16602 25.56225 71.17552 28.17499 -13.00951      38.04286 
1 1 1 -8  1  40 f 266.6815 7.668435 2100.516       119.8116 2156.204       171.1410 2046.989       167.7871 269.2335 10.86092 262.2911 10.93145 6.942383       15.40961 
1 1 1 -8  1  41 o 168.8485 9.179590 847.8174       90.55964 844.4797       123.1772 851.7438       133.5978 167.4819 12.63356 167.8280 13.69215 -0.3460693     18.63013 
1 1 1 -8  1  42 o 59.46077 19.77537 106.9092       80.62775 13.15176       114.6307 198.7105       113.4286 50.81755 21.71307 77.99987 23.13511 -27.18232      31.72839 
1 1 1 -8  1  43 o 33.22576 15.59442 -72.21087      77.02351 -61.99752      108.7100 -82.50645      109.1467 42.12328 19.33477 40.59646 18.89202 1.526821       27.03224 
1 1 1 -8  1  44 o 269.8597 7.476034 2162.317       118.2065 2119.458       167.9310 2204.408       166.4176 265.3806 10.81239 270.8536 10.49632 -5.473022      15.06919 
1 1 1 -8  1  45 o 247.6493 8.575885 1832.210       124.3686 1684.643       205.2919 1917.769       156.3192 232.9884 15.10547 252.1588 10.59391 -19.17044      18.45010 
1 1 1 -8  1  46 o 115.9791 14.11590 420.4467       94.03973 407.8221       135.3364 432.2329       130.7659 109.8000 21.78580 114.0961 20.28557 -4.296150      29.76786 
1 1 1 -8  1  47 f 71.07485 21.12082 171.9983       94.46571 258.4100       129.7560 74.54696       137.7955 85.10382 24.60873 59.26594 24.45903 25.83788       34.69631 
1 1 1 -8  1  48 o 93.49891 22.67231 307.8774       123.0248 258.1356       148.7788 415.4270       218.7683 83.36148 26.81138 100.3657 32.53184 -17.00419      42.15650 
1 1 1 -8  1  49 o 148.6434 16.28456 712.5932       139.6411 781.5369       170.7104 573.1697       242.7619 152.8805 19.48152 115.8937 33.70391 36.98682       38.92920 
1 1 1 -8  1  50 o 148.3470 13.74111 694.6522       118.1919 596.6793       163.8461 800.9423       170.6591 130.3877 22.22250 154.3675 19.26896 -23.97974      29.41314 
1 1 1 -8  1  51 o 170.2790 13.66400 915.1354       135.3105 1048.997       193.6127 787.3327       189.1801 176.8178 18.96664 149.6645 22.22695 27.15327       29.21935 
1 1 1 -8  2  1  o 1174.906 19.12526 40739.69       1317.834 38885.07       1795.527 42905.39       1940.278 1144.349 26.75363 1201.609 27.53279 -57.25989      38.39025 
1 1 1 -8  2  2  o 633.6601 12.67228 11808.29       470.9357 13460.86       900.8311 11186.79       552.4379 673.9983 22.82238 616.3557 15.28275 57.64264       27.46677 
1 1 1 -8  2  3  f 308.6475 9.910830 2801.503       179.1678 2618.658       239.3549 3034.516       270.2035 297.9933 13.73265 320.7443 14.40093 -22.75104      19.89906 
1 1 1 -8  2  4  o 152.2174 7.634898 681.9359       67.94057 643.6235       93.03314 725.7180       99.45277 147.5844 10.82375 156.7552 10.88556 -9.170776      15.35086 
1 1 1 -8  2  5  o 335.1915 7.195609 3298.258       141.4527 3348.480       201.2322 3249.206       198.8771 337.3954 10.18134 332.3482 10.21544 5.047211       14.42272 
1 1 1 -8  2  6  o 266.9431 6.709152 2092.971       104.9525 2096.265       148.4081 2089.676       148.4424 266.9365 9.494920 266.5145 9.512256 0.4219666      13.44011 
1 1 1 -8  2  7  o 350.0712 7.227289 3597.935       148.3824 3500.251       206.3453 3702.538       213.5278 344.9308 10.21152 354.7594 10.27372 -9.828644      14.48532 
1 1 1 -8  2  8  o 216.5155 6.377814 1377.102       80.89802 1469.726       116.5632 1291.027       112.3663 223.5028 8.910443 209.4302 9.170658 14.07260       12.78659 
1 1 1 -8  2  9  o 534.0203 9.446045 8377.973       295.8409 8228.578       413.6075 8534.471       423.3263 528.5839 13.35278 538.4810 13.40462 -9.897095      18.92037 
1 1 1 -8  2  10 o 134.0157 6.978680 528.5614       54.66137 508.1456       77.47230 548.7996       77.13449 131.1234 10.15337 136.3408 9.710106 -5.217407      14.04910 
1 1 1 -8  2  11 o 183.4343 6.258048 988.4394       67.22541 1039.857       97.35750 941.5838       92.93854 187.9891 8.855411 178.8626 8.887677 9.126480       12.54628 
1 1 1 -8  2  12 o 293.7627 7.683608 2534.219       132.2633 2397.111       229.3739 2602.517       161.8875 285.2325 13.75232 297.5993 9.286730 -12.36679      16.59427 
1 1 1 -8  2  13 o 491.5961 12.51975 7103.630       360.6627 0.000000       0.000000 7103.630       360.6627 ?        ?        491.5961 12.51975 0.000000       12.51975 
1 1 1 -8  2  14 o 1305.238 21.06716 50183.32       1612.672 50227.25       2286.068 50139.80       2275.297 1302.830 29.91926 1301.741 29.80320 1.089111       42.23024 
1 1 1 -8  2  15 o 1002.444 16.38767 29545.84       963.4468 30504.66       1400.410 28684.20       1327.547 1017.158 23.47558 986.4597 22.94669 30.69836       32.82763 
1 1 1 -8  2  16 o 627.4924 10.79613 11559.86       397.3078 11800.83       571.3199 11334.19       552.8893 633.6128 15.37464 620.9777 15.18140 12.63513       21.60681 
1 1 1 -8  2  17 o 479.0702 8.843650 6735.686       248.4741 6631.045       348.6140 6843.733       354.2447 474.9706 12.52584 482.5326 12.52834 -7.562073      17.71598 
1 1 1 -8  2  18 o 337.8459 7.579455 3349.187       150.1783 3530.240       217.8555 3185.245       207.3053 346.5792 10.73097 329.1905 10.75216 17.38870       15.19087 
1 1 1 -8  2  19 o 361.5341 7.828483 3835.681       165.9883 3808.085       234.3565 3863.460       235.1311 359.9244 11.11568 362.5378 11.07173 -2.613434      15.68890 
1 1 1 -8  2  20 o 727.2900 12.28461 15541.92       523.9857 15795.33       750.0963 15300.40       732.2802 732.4487 17.46181 720.9055 17.32002 11.54315       24.59467 
1 1 1 -8  2  21 o 373.0159 7.665466 4083.669       167.6936 4039.533       236.9619 4127.949       237.3476 370.6706 10.91222 374.7176 10.81147 -4.046936      15.36113 
1 1 1 -8  2  22 o 153.3445 8.085511 692.2267       72.45838 676.6487       103.8825 706.9863       101.1167 151.2663 11.80318 154.7007 11.22128 -3.434433      16.28595 
1 1 1 -8  2  23 o 343.2216 7.373182 3458.182       148.4158 3456.458       211.1601 3459.866       208.6457 342.7808 10.51620 342.9634 10.38513 -0.1825562     14.77976 
1 1 1 -8  2  24 o 525.8568 10.91496 8131.501       336.6202 8281.267       596.7433 8061.604       407.6739 528.7729 19.27503 523.0709 13.30008 5.702026       23.41835 
1 1 1 -8  2  25 o 494.7294 8.051486 7190.041       233.6116 8211.822       579.1633 6991.494       255.3017 526.3061 18.79359 487.7514 8.924927 38.55472       20.80513 
1 1 1 -8  2  26 o 345.8926 8.390664 3516.301       170.2112 3937.504       317.2921 3346.111       201.6882 364.8477 14.85959 337.0816 10.21401 27.76608       18.03146 
1 1 1 -8  2  27 o 366.0476 10.47932 3948.222       224.7367 0.000000       0.000000 3948.222       224.7367 ?        ?        366.0476 10.47932 0.000000       10.47932 
1 1 1 -8  2  28 o 385.3262 6.560942 4361.615       148.2673 4225.850       201.4406 4522.117       219.0244 378.9770 9.063244 391.9672 9.527793 -12.99023      13.14995 
1 1 1 -8  2  29 o 226.7940 7.371507 1513.642       97.91766 1441.467       128.4258 1613.856       151.3288 220.9919 9.934296 233.6804 11.07353 -12.68852      14.87660 
1 1 1 -8  2  30 o 111.5570 11.55898 371.2030       74.53073 434.7639       144.4595 348.1472       87.00439 118.6857 21.54713 107.5352 14.13770 11.15046       25.77117 
1 1 1 -8  2  31 o 244.0371 6.033207 1749.642       86.34847 1776.928       121.9398 1722.198       122.2913 245.5631 8.479768 241.7247 8.640189 3.838486       12.10617 
1 1 1 -8  2  32 o 219.9978 6.514524 1423.600       83.96008 1391.324       117.9663 1456.735       119.5240 217.1432 9.284636 222.2116 9.191290 -5.068390      13.06462 
1 1 1 -8  2  33 o 153.2533 9.169973 694.1254       82.04227 717.0338       116.1332 671.3021       115.9177 155.1945 12.87515 150.0505 13.31025 5.144028       18.51843 
1 1 1 -8  2  34 o 67.53665 18.68001 140.3848       76.47919 37.69094       109.7771 237.2354       106.6083 54.19989 22.03708 87.22276 21.07739 -33.02287      30.49409 
1 1 1 -8  2  35 o 183.6983 8.065156 995.2147       86.67796 948.9140       121.0665 1043.907       124.1541 178.8130 11.60720 187.6348 11.33515 -8.821808      16.22383 
1 1 1 -8  2  36 o 183.7182 8.351094 996.3396       89.74474 1017.093       123.2968 972.9551       130.8787 185.1000 11.41332 180.8198 12.41701 4.280182       16.86553 
1 1 1 -8  2  37 o 81.77048 17.77965 208.2199       82.82910 212.3236       111.5997 203.1869       123.5922 82.16315 22.50219 80.80322 24.19387 1.359932       33.04076 
1 1 1 -8  2  38 o 208.8024 8.181022 1287.684       99.98901 1221.265       137.3593 1362.551       145.8324 202.5987 11.60894 214.0182 11.66265 -11.41948      16.45554 
1 1 1 -8  2  39 o 47.08614 19.46227 22.65128       87.42657 -93.41712      120.4010 152.1069       127.1550 43.17974 20.00747 72.32520 24.83160 -29.14545      31.88898 
1 1 1 -8  2  40 o 123.4426 13.20049 460.2205       94.08469 430.4807       129.2995 493.6860       137.1598 117.3834 19.46333 125.9893 19.16611 -8.605881      27.31595 
1 1 1 -8  2  41 o 146.4394 10.75570 641.8998       91.72904 631.0001       128.5644 653.2021       130.9165 143.6311 15.50794 146.1611 15.50899 -2.529984      21.93228 
1 1 1 -8  2  42 f 121.9333 12.05301 450.4929       85.06592 496.8312       122.7835 407.7210       117.9639 126.1962 17.02367 113.5902 18.33146 12.60596       25.01695 
1 1 1 -8  2  43 o 166.5933 9.271814 829.6633       90.23106 834.3674       124.5491 824.4673       130.8997 165.5950 12.92693 164.2335 13.71532 1.361481       18.84716 
1 1 1 -8  2  44 o 98.05891 20.05302 314.8144       111.4295 0.000000       0.000000 314.8144       111.4295 ?        ?        98.05891 20.05302 0.000000       20.05302 
1 1 1 -8  2  45 o 84.96440 18.15135 235.6336       87.70033 302.2396       128.4507 177.4733       120.0310 93.82449 23.41875 72.92915 24.12419 20.89534       33.62164 
1 1 1 -8  2  46 o 112.7456 14.85470 400.2079       95.83585 392.6331       134.4386 408.0343       136.6533 107.4887 22.06581 109.6652 22.01292 -2.176491      31.16840 
1 1 1 -8  2  47 f 220.4809 8.712910 1459.184       112.4420 1382.048       155.4639 1543.798       162.8256 211.9457 12.56340 224.1456 12.43505 -12.19987      17.67681 
1 1 1 -8  2  48 o 62.53342 22.80660 124.4537       108.6301 -29.09750      155.2103 271.8920       152.0895 51.83670 23.52691 85.25031 27.07524 -33.41361      35.86898 
1 1 1 -8  2  49 o 67.30381 24.35064 153.7371       123.4998 62.07512       148.4861 359.4562       222.4479 58.27163 24.79930 92.35764 32.76668 -34.08601      41.09332 
1 1 1 -8  2  50 o 47.02135 20.95831 -5.718354      117.0426 131.4761       166.8488 -138.6378      164.2287 66.30186 27.08882 45.82491 21.87429 20.47696       34.81794 
1 1 1 -8  2  51 o 65.05195 24.98825 139.7248       133.9608 166.2184       191.7460 114.4636       187.2330 70.71002 28.98205 65.74002 27.90770 4.970001       40.23430 
1 1 1 -8  3  1  o 585.1606 14.57296 10080.87       500.1191 0.000000       0.000000 10080.87       500.1191 ?        ?        585.1606 14.57296 0.000000       14.57296 
1 1 1 -8  3  2  o 779.3182 13.04265 17867.56       596.1165 17188.99       817.5903 18637.71       871.0156 763.1840 18.26653 794.5759 18.69132 -31.39191      26.13487 
1 1 1 -8  3  3  o 1039.915 24.19955 32084.16       1475.895 0.000000       0.000000 32084.16       1475.895 ?        ?        1039.915 24.19955 0.000000       24.19955 
1 1 1 -8  3  4  f 212.2177 7.732575 1324.052       96.07925 1328.012       153.0040 1321.473       123.4552 212.1123 12.35293 211.8302 9.965296 0.2820435      15.87142 
1 1 1 -8  3  5  o 183.7761 6.963951 992.8359       74.92191 966.4857       103.3755 1021.991       108.7390 181.0968 9.769381 186.2184 9.993233 -5.121597      13.97517 
1 1 1 -8  3  6  o 569.8680 9.982572 9544.364       333.6317 9284.623       463.1802 9824.448       480.9756 561.2617 14.08242 577.5046 14.20094 -16.24292      19.99953 
1 1 1 -8  3  7  o 460.0930 8.505723 6217.576       229.5130 6290.674       326.9638 6146.572       322.2485 462.2515 12.07098 456.9280 12.03569 5.323486       17.04601 
1 1 1 -8  3  8  o 261.2342 6.524986 2003.018       99.96782 1965.192       140.7933 2041.477       141.9656 258.4653 9.303329 263.4493 9.202441 -4.984009      13.08575 
1 1 1 -8  3  9  o 228.4952 6.394110 1533.443       85.60134 1478.320       120.5063 1589.588       121.6185 224.1542 9.186149 232.4704 8.936988 -8.316238      12.81620 
1 1 1 -8  3  10 o 489.7129 8.846437 7042.031       254.0741 7013.011       359.3255 7071.048       359.3047 488.2037 12.56022 490.2279 12.50746 -2.024261      17.72556 
1 1 1 -8  3  11 o 528.4329 9.367741 8199.061       290.3188 8237.185       412.6147 8161.682       408.5611 529.1448 13.30651 526.7216 13.23639 2.423218       18.76873 
1 1 1 -8  3  12 o 300.3170 7.856817 2648.569       138.2624 2489.053       244.0145 2723.999       167.7977 290.6189 14.36113 304.4718 9.408273 -13.85294      17.16851 
1 1 1 -8  3  13 o 536.2621 10.92338 8443.778       343.5458 8513.514       423.3512 8309.299       587.8963 538.2954 13.41003 530.9568 18.90972 7.338562       23.18202 
1 1 1 -8  3  14 o 1257.055 20.28054 46528.03       1495.149 47456.83       2149.666 45657.67       2080.929 1266.852 28.93307 1242.741 28.55130 24.11084       40.64848 
1 1 1 -8  3  15 o 772.8698 14.89026 17554.53       674.9307 16054.13       1088.217 18492.48       860.4088 737.1707 25.20789 792.7744 18.50567 -55.60370      31.27135 
1 1 1 -8  3  16 o 566.8596 9.949429 9432.200       330.7685 9705.521       477.3642 9179.782       458.7458 574.7144 14.16274 558.7698 14.00978 15.94464       19.92127 
1 1 1 -8  3  17 o 621.0343 15.31416 11338.35       557.7755 11741.09       811.7006 10978.04       767.7594 630.7480 21.97624 609.9677 21.49548 20.78027       30.74103 
1 1 1 -8  3  18 o 593.9164 10.45419 10356.48       364.1381 10443.78       518.4902 10271.51       511.5186 596.0386 14.83254 591.1103 14.75511 4.928345       20.92170 
1 1 1 -8  3  19 o 649.6901 11.19431 12396.60       426.5346 12337.90       602.2104 12455.69       604.2167 647.6484 15.85471 650.7355 15.83207 -3.087036      22.40594 
1 1 1 -8  3  20 o 242.1385 7.139992 1721.957       101.2832 1823.124       147.1425 1630.863       139.6251 248.9689 10.09822 235.4500 10.13520 13.51888       14.30721 
1 1 1 -8  3  21 f 427.7792 8.245853 5371.602       206.8740 5392.795       295.5002 5351.230       289.7136 428.2341 11.77710 426.5984 11.59049 1.635742       16.52391 
1 1 1 -8  3  22 o 568.4195 11.56642 9496.969       385.5836 9189.757       658.3840 9657.347       475.6985 557.4518 20.17149 572.8618 14.15896 -15.41003      24.64478 
1 1 1 -8  3  23 o 193.4662 6.690185 1099.891       75.79486 1146.228       191.0816 1091.239       82.56840 196.4402 16.74535 192.6625 7.320774 3.777679       18.27568 
1 1 1 -8  3  24 o 399.0099 7.123614 4674.292       166.6996 4634.409       376.4350 4684.021       185.9238 395.9684 16.24434 399.3663 7.938036 -3.397888      18.08013 
1 1 1 -8  3  25 o 55.77571 15.36973 94.64068       51.88302 -1.775393      137.0296 110.7758       56.05645 55.57058 23.74177 60.15710 15.71804 -4.586521      28.47330 
1 1 1 -8  3  26 o 346.8952 10.32939 3544.160       209.9130 3733.684       313.1242 3389.462       282.8957 355.1968 15.06553 338.5571 14.27974 16.63974       20.75768 
1 1 1 -8  3  27 o 233.9332 9.356830 1612.540       128.1133 0.000000       0.000000 1612.540       128.1133 ?        ?        233.9332 9.356830 0.000000       9.356830 
1 1 1 -8  3  28 o 252.6167 7.872123 1877.940       116.4861 1728.033       212.4545 1942.375       139.2891 241.1534 15.09755 256.7452 9.265676 -15.59180      17.71408 
1 1 1 -8  3  29 o 205.2003 6.014812 1237.880       72.30721 1207.195       97.22021 1275.866       108.1696 202.4164 8.206573 208.0195 8.886948 -5.603134      12.09651 
1 1 1 -8  3  30 o 148.3271 7.200691 648.3312       62.45191 537.1242       84.50751 782.1470       92.70067 134.5239 10.80210 162.6430 9.763397 -28.11906      14.56054 
1 1 1 -8  3  31 o 664.5576 9.495118 13011.00       370.0697 12820.66       509.6172 13223.35       538.2731 658.2521 13.20083 668.2632 13.73424 -10.01117      19.04970 
1 1 1 -8  3  32 o 490.3030 7.495216 7069.850       215.5258 7047.039       299.7191 7094.276       310.1474 488.8420 10.45431 490.3893 10.78392 -1.547333      15.01950 
1 1 1 -8  3  33 o 272.4777 6.555639 2181.921       104.7602 2076.600       142.2357 2306.794       154.8768 265.3876 9.152254 279.6765 9.455944 -14.28891      13.15974 
1 1 1 -8  3  34 o 143.7391 9.435490 611.3235       79.10098 552.5952       106.3548 684.0250       118.3327 135.9626 13.51671 151.4178 13.46562 -15.45512      19.07942 
1 1 1 -8  3  35 o 247.3812 6.939117 1801.098       100.5755 1838.513       137.5241 1758.077       147.4663 249.5605 9.413077 243.8649 10.33424 5.695572       13.97865 
1 1 1 -8  3  36 o 105.4552 13.08214 334.7000       79.17515 341.8181       110.2282 327.1133       113.7983 105.3172 18.52196 102.7054 19.60758 2.611855       26.97258 
1 1 1 -8  3  37 o 139.1691 10.61762 576.1394       86.00616 532.0159       115.9532 630.1042       128.2340 132.7014 15.17132 144.5029 15.36667 -11.80145      21.59406 
1 1 1 -8  3  38 o 144.0761 10.37593 617.3961       87.08650 597.6558       119.6605 639.6262       126.9833 140.7416 14.71415 145.5443 15.09546 -4.802658      21.08030 
1 1 1 -8  3  39 o 220.1025 10.64970 1439.097       137.0637 1380.231       186.4008 1508.392       202.2412 214.2162 14.93042 223.7677 15.50659 -9.551529      21.52607 
1 1 1 -8  3  40 o 120.1335 13.16405 436.1675       91.23087 536.2067       125.0970 322.5157       133.3367 132.3218 16.47589 100.0987 23.17105 32.22310       28.43154 
1 1 1 -8  3  41 o 159.5372 9.892536 759.1472       92.10399 877.0002       131.8327 646.7727       128.7321 170.4033 13.29670 145.4663 15.31917 24.93700       20.28496 
1 1 1 -8  3  42 o 53.23895 19.81828 72.52937       82.73655 103.6426       117.9229 42.36415       116.1124 62.73578 23.59716 54.38844 22.44981 8.347343       32.57023 
1 1 1 -8  3  43 o 55.91465 21.25170 78.77474       96.22546 -42.92883      176.8568 129.9530       114.6867 56.27936 25.36945 65.92795 23.51312 -9.648586      34.59011 
1 1 1 -8  3  44 o 276.7796 7.391422 2274.239       119.8736 2227.707       174.0032 2316.274       165.3792 271.9651 10.93149 277.8195 10.16719 -5.854340      14.92880 
1 1 1 -8  3  45 o 76.25684 19.61827 193.1470       88.23922 172.7314       122.4762 215.1811       127.2382 72.17613 24.37784 79.11234 24.71641 -6.936211      34.71570 
1 1 1 -8  3  46 o 43.29602 18.90055 -1.298306      90.61364 128.7567       128.0591 -131.7112      128.2352 65.40572 24.59277 40.78612 19.43004 24.61959       31.34216 
1 1 1 -8  3  47 o 54.85565 21.11826 80.19987       95.82805 92.14032       134.2629 67.80106       136.8158 60.81635 24.49929 58.34824 24.25230 2.468117       34.47302 
1 1 1 -8  3  48 o 125.0687 15.15064 497.9439       108.8667 417.2432       157.0134 572.6602       151.0796 107.0416 25.39613 130.3135 20.43991 -23.27184      32.59990 
1 1 1 -8  3  49 o 57.86535 23.30823 85.81872       121.5126 -76.36514      189.6959 198.6738       158.2394 53.24041 24.81950 74.29805 27.45423 -21.05764      37.01003 
1 1 1 -8  3  50 o 86.79938 27.09495 292.5492       152.9398 274.1948       173.2321 357.4128       325.6564 83.07974 28.96082 88.15400 37.08227 -5.074257      47.05129 
1 1 1 -8  3  51 o 146.9010 16.58665 705.1987       140.4045 746.6583       211.1212 672.3205       188.0067 140.8861 26.52430 135.7377 24.51899 5.148392       36.12090 
1 1 1 -8  4  1  o 590.0759 11.92313 10240.18       412.6184 10790.87       734.7997 9986.559       498.6623 603.5900 20.78860 582.1141 14.61812 21.47589       25.41368 
1 1 1 -8  4  2  o 1031.452 34.46530 32005.68       2081.955 0.000000       0.000000 32005.68       2081.955 ?        ?        1031.452 34.46530 0.000000       34.46530 
1 1 1 -8  4  3  o 262.2146 6.839641 2019.578       105.0920 2021.729       147.1111 2017.336       150.1816 262.1436 9.584899 261.8391 9.797118 0.3045349      13.70598 
1 1 1 -8  4  4  o 325.9312 7.197774 3118.616       137.5862 3043.171       191.0527 3199.895       198.3021 321.6276 10.14127 329.8008 10.26489 -8.173157      14.42960 
1 1 1 -8  4  5  o 49.69368 14.83373 73.56038       46.51453 45.40665       59.23829 118.8299       75.11687 45.01547 16.76703 63.06844 18.85640 -18.05297      25.23286 
1 1 1 -8  4  6  o 491.8761 8.954290 7107.614       258.3077 7305.586       371.9059 6923.104       359.0385 498.0534 12.74276 484.8492 12.63730 13.20428       17.94657 
1 1 1 -8  4  7  o 313.7820 6.949022 2890.283       127.8799 2820.058       179.1242 2963.280       182.6255 309.6215 9.877079 317.3997 9.822623 -7.778198      13.92985 
1 1 1 -8  4  8  f 235.5267 6.511855 1629.359       89.86249 1578.974       127.8061 1678.622       126.3755 231.6418 9.427409 238.8839 9.036690 -7.242111      13.05901 
1 1 1 -8  4  9  o 592.9386 10.28894 10330.18       357.7924 10526.02       513.7633 10145.76       498.5684 597.9192 14.65109 587.0472 14.48109 10.87195       20.59991 
1 1 1 -8  4  10 o 241.0422 6.446547 1706.120       91.05016 1757.011       131.3032 1658.984       126.3673 244.4420 9.175305 237.5217 9.088305 6.920273       12.91447 
1 1 1 -8  4  11 o 441.2807 8.241061 5715.542       213.2793 5949.231       310.2352 5506.115       293.6894 449.8396 11.76945 432.7690 11.58169 17.07059       16.51228 
1 1 1 -8  4  12 o 1126.646 18.27389 37368.79       1207.449 36917.00       1691.549 37838.13       1724.099 1117.628 25.80695 1131.425 25.98280 -13.79688      36.62109 
1 1 1 -8  4  13 o 843.9741 16.08142 20944.02       795.9837 20481.00       1352.853 21189.18       984.4111 831.9061 27.76736 848.3074 19.78667 -16.40131      34.09602 
1 1 1 -8  4  14 o 793.0954 13.19963 18476.72       613.9566 18778.08       881.3483 18192.62       855.7490 798.8231 18.81250 786.3090 18.55678 12.51404       26.42469 
1 1 1 -8  4  15 o 805.2531 15.44363 19059.94       729.3438 17984.88       1204.995 19681.50       916.2352 779.9972 26.37953 817.7612 19.10425 -37.76398      32.57072 
1 1 1 -8  4  16 o 912.7711 17.33864 24507.59       928.1700 24636.29       1609.545 24443.47       1136.099 911.8120 30.14010 910.8601 21.26738 0.9518433      36.88803 
1 1 1 -8  4  17 o 292.6897 10.01457 2517.782       171.6524 2554.395       239.1540 2478.879       246.5198 294.5082 13.88527 290.0516 14.53828 4.456665       20.10378 
1 1 1 -8  4  18 o 456.7600 8.774158 6123.284       235.0412 6054.245       331.9927 6192.661       332.8058 453.7996 12.48610 458.9720 12.37515 -5.172363      17.57974 
1 1 1 -8  4  19 o 41.80849 17.29314 13.26320       69.09155 2.766713       99.75566 22.94085       95.78564 48.15778 20.40401 49.79411 20.45487 -1.636326      28.89161 
1 1 1 -8  4  20 o 739.0520 12.43990 16050.58       539.1906 15927.09       759.1271 16176.32       765.9803 735.4239 17.60055 741.1519 17.62219 -5.727966      24.90624 
1 1 1 -8  4  21 o 483.1292 8.112857 6851.571       229.8728 6601.776       501.5341 6918.002       258.6393 472.9386 18.11544 485.4027 9.085355 -12.46411      20.26605 
1 1 1 -8  4  22 o 548.6437 8.890347 8839.515       286.0617 8225.633       605.2994 9016.052       324.5981 527.4266 19.60262 553.9902 9.990642 -26.56360      22.00171 
1 1 1 -8  4  23 o 206.3953 8.216290 1252.930       99.25615 1096.802       185.0230 1316.016       117.6118 192.1370 16.58175 211.4305 9.509233 -19.29349      19.11492 
1 1 1 -8  4  24 o 186.6835 6.716954 1024.412       73.42101 905.1216       174.1769 1050.189       80.96592 174.2145 17.27456 188.9788 7.319149 -14.76422      18.76114 
1 1 1 -8  4  25 o 276.3211 7.857182 2244.765       127.2009 1837.346       220.1233 2449.017       155.8578 249.0402 15.14270 288.4914 9.223665 -39.45123      17.73069 
1 1 1 -8  4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  27 o 438.3449 11.67711 5667.623       299.9265 0.000000       0.000000 5667.623       299.9265 ?        ?        438.3449 11.67711 0.000000       11.67711 
1 1 1 -8  4  28 o 467.8854 7.779233 6435.900       213.4651 7904.279       555.6269 6181.638       231.2092 515.1868 18.41906 458.4200 8.599854 56.76675       20.32780 
1 1 1 -8  4  29 o 296.6774 6.470377 2586.123       112.5809 3001.743       272.7902 2500.802       123.5976 318.0036 14.66619 291.6712 7.225467 26.33246       16.34945 
1 1 1 -8  4  30 o 183.0545 8.041204 987.6891       86.11743 1093.227       117.2137 863.9007       126.9444 192.2792 10.43339 170.4737 12.79039 21.80548       16.50605 
1 1 1 -8  4  31 o 103.9213 10.00093 321.2254       60.20126 302.7675       82.33395 342.4304       88.24831 100.0767 14.44562 106.5382 14.49972 -6.461487      20.46748 
1 1 1 -8  4  32 o 40.74113 16.66914 17.87976       63.28936 29.21791       85.75897 4.319096       93.78836 48.02193 19.49524 46.55235 19.75661 1.469582       27.75586 
1 1 1 -8  4  33 o 205.8234 7.378896 1247.311       88.92693 1183.969       123.0845 1316.480       128.6215 200.0968 10.52550 211.0425 10.42411 -10.94576      14.81379 
1 1 1 -8  4  34 o 88.47932 15.26071 238.8267       76.32959 272.5634       106.0766 202.6019       109.9186 93.71166 19.91537 80.79640 22.41244 12.91526       29.98232 
1 1 1 -8  4  35 o 322.4030 6.669898 3056.231       126.1156 2978.339       174.2788 3141.862       182.7299 317.7188 9.363220 326.2896 9.559260 -8.570801      13.38093 
1 1 1 -8  4  36 f 219.2891 7.562802 1417.271       97.11800 1289.299       129.7182 1580.493       146.4990 208.6173 10.63741 230.9874 10.84451 -22.37012      15.19072 
1 1 1 -8  4  37 o 154.0917 10.50116 705.4525       94.33308 529.2571       144.5437 836.1760       124.5026 131.1512 19.37464 167.3277 12.78382 -36.17657      23.21212 
1 1 1 -8  4  38 o 99.52859 14.52272 301.6047       82.27410 355.7893       117.1185 248.8137       115.6026 106.9243 19.39048 88.55527 22.28088 18.36906       29.53690 
1 1 1 -8  4  39 o 67.93206 20.09940 143.1399       85.69945 110.8614       118.9216 178.0131       123.6089 65.16954 23.84768 76.16091 24.43295 -10.99137      34.14207 
1 1 1 -8  4  40 o 162.8649 11.55548 793.3187       109.6570 694.2990       184.8292 847.1052       136.2216 148.5948 21.86165 167.5781 13.98795 -18.98326      25.95370 
1 1 1 -8  4  41 o 95.21461 16.28853 282.5739       87.68977 222.3935       127.4952 336.5995       120.7997 82.67651 24.52911 102.4654 20.81298 -19.78889      32.16920 
1 1 1 -8  4  42 o 226.5612 7.854102 1522.861       104.2018 1713.288       150.1306 1345.852       144.7442 239.1413 10.73179 211.4598 11.71721 27.68147       15.88912 
1 1 1 -8  4  43 o 63.18057 20.19662 126.0948       84.51684 218.8365       124.9794 47.94424       114.7274 80.81541 24.35922 54.45321 22.37935 26.36219       33.07880 
1 1 1 -8  4  44 o 77.76102 19.03382 198.0929       86.08980 264.7475       120.1729 127.8222       123.3896 88.47447 22.96285 65.91002 24.26279 22.56445       33.40622 
1 1 1 -8  4  45 o 136.8542 11.45838 570.5377       91.12347 456.3251       122.5309 711.8664       136.3025 118.9922 18.13012 150.6561 15.65445 -31.66387      23.95335 
1 1 1 -8  4  46 o 74.32047 20.83217 187.0004       94.43195 81.07305       129.8661 305.8503       137.5596 59.42303 24.03882 92.94275 24.78347 -33.51971      34.52659 
1 1 1 -8  4  47 o 38.31631 17.71647 -56.68388      93.66755 -147.4327      131.1523 37.79406       133.8198 40.23218 19.29655 54.75958 23.43033 -14.52740      30.35353 
1 1 1 -8  4  48 o 48.94023 20.84234 28.30759       105.0075 -5.309124      152.4792 58.63292       144.8225 53.17539 23.79603 57.83092 24.54700 -4.655533      34.18781 
1 1 1 -8  4  49 o 52.30199 21.52902 56.35147       106.3921 70.36688       150.7779 42.45319       150.1465 59.28440 25.10018 56.57708 24.51743 2.707329       35.08737 
1 1 1 -8  4  50 o 105.4112 20.86430 386.3340       124.4185 238.6784       182.5517 514.4196       170.0242 78.47896 29.39316 117.8345 25.35523 -39.35559      38.81811 
1 1 1 -8  4  51 o 128.3040 23.72971 595.4609       171.9842 512.4055       215.0111 742.9973       286.5673 109.7311 31.66213 125.8512 36.62423 -16.12007      48.41306 
1 1 1 -8  5  1  o 747.4736 14.53014 16458.40       636.9658 15099.11       1027.661 17306.39       811.6868 712.5115 24.62981 765.5363 18.07891 -53.02478      30.55281 
1 1 1 -8  5  2  o 1197.886 27.79978 42786.06       1953.024 0.000000       0.000000 42786.06       1953.024 ?        ?        1197.886 27.79978 0.000000       27.79978 
1 1 1 -8  5  3  o 1118.086 37.39315 37831.04       2448.535 0.000000       0.000000 37831.04       2448.535 ?        ?        1118.086 37.39315 0.000000       37.39315 
1 1 1 -8  5  4  o 397.3522 8.961842 4638.340       208.8447 4861.626       361.6623 4526.634       255.8053 405.8282 15.22232 392.1882 11.13280 13.63998       18.85891 
1 1 1 -8  5  5  o 201.4925 6.799557 1193.125       80.23566 1186.779       111.3404 1199.980       115.7275 200.7482 9.483749 201.8346 9.805998 -1.086456      13.64181 
1 1 1 -8  5  6  o 228.8066 6.690680 1538.006       89.68557 1468.663       125.2215 1611.041       128.5116 223.3640 9.581345 233.9769 9.384273 -10.61288      13.41144 
1 1 1 -8  5  7  o 359.5062 7.385825 3794.360       155.7241 3747.206       218.1736 3843.332       222.3399 356.9074 10.43428 361.4530 10.49967 -4.545532      14.80261 
1 1 1 -8  5  8  o 169.5348 6.737500 844.8998       66.85629 824.6855       93.46345 866.0813       95.67343 167.2794 9.566730 171.4409 9.553167 -4.161453      13.51981 
1 1 1 -8  5  9  o 661.5164 11.26872 12860.35       437.1856 12749.17       614.7465 12974.12       621.8627 657.9323 15.93178 663.7033 15.97607 -5.770996      22.56228 
1 1 1 -8  5  10 f 138.4098 7.292422 563.7653       58.98672 581.9047       84.52230 546.5424       82.35939 140.3792 10.33894 136.0170 10.40346 4.362228       14.66716 
1 1 1 -8  5  11 o 443.6363 8.312438 5776.380       216.2748 5910.328       311.7030 5652.027       300.3314 448.3906 11.86358 438.4922 11.68896 9.898407       16.65462 
1 1 1 -8  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  5  13 o 445.1926 11.60511 5823.796       302.7451 5742.672       422.4716 5909.429       434.0557 441.6336 16.33933 447.9850 16.54926 -6.351471      23.25622 
1 1 1 -8  5  14 o 1171.167 21.89518 40412.92       1503.897 39397.50       2549.796 40954.60       1862.315 1150.364 37.84522 1177.550 26.96643 -27.18579      46.46988 
1 1 1 -8  5  15 o 1014.673 16.54667 30274.34       984.6618 30887.24       1415.916 29700.32       1370.250 1023.434 23.58997 1003.651 23.27914 19.78302       33.14219 
1 1 1 -8  5  16 o 454.3261 9.774914 6058.912       260.4541 6211.494       454.4445 5984.276       317.8335 459.2422 16.90169 451.2432 12.02058 7.998993       20.74033 
1 1 1 -8  5  17 o 448.8534 8.615802 5912.734       226.8040 6267.398       333.8888 5608.880       309.0482 461.7548 12.34041 436.8282 12.07485 24.92654       17.26522 
1 1 1 -8  5  18 o 479.5607 9.029721 6750.374       253.9618 6783.596       362.7119 6718.423       355.7032 480.3269 12.88745 478.0309 12.69890 2.295959       18.09277 
1 1 1 -8  5  19 o 139.4718 9.393284 573.6454       76.38605 709.4258       109.4430 444.6754       106.6630 154.9212 12.14251 122.0241 15.23555 32.89706       19.48236 
1 1 1 -8  5  20 o 510.5260 8.371979 7650.399       250.6666 7809.235       576.3154 7613.340       278.3774 514.3792 19.13745 509.2279 9.321187 5.151337       21.28677 
1 1 1 -8  5  21 o 735.8470 11.21935 15910.33       484.1788 15416.29       1050.419 16043.62       545.5955 721.0521 24.87691 738.7277 12.59319 -17.67560      27.88278 
1 1 1 -8  5  22 o 427.4669 7.492455 5364.011       187.8353 5123.400       415.5606 5425.793       210.5740 416.4987 17.04862 429.8659 8.352592 -13.36719      18.98476 
1 1 1 -8  5  23 o 246.5812 6.255231 1785.639       90.38641 1621.268       216.6759 1820.267       99.45277 233.9553 15.88586 248.9273 6.818724 -14.97195      17.28744 
1 1 1 -8  5  24 o 771.1738 11.66986 17499.88       527.7990 16935.08       1143.882 17652.65       594.9130 753.0722 25.93839 774.1826 13.10266 -21.11035      29.05993 
1 1 1 -8  5  25 f 327.4782 10.12637 3157.359       194.2515 2992.856       277.8775 3314.576       271.6545 318.0702 14.93808 334.9638 13.85822 -16.89355      20.37638 
1 1 1 -8  5  26 o 602.4260 9.402454 10674.62       332.1968 11625.56       795.0829 10473.51       365.6411 624.2041 21.75201 596.5102 10.45169 27.69391       24.13272 
1 1 1 -8  5  27 o 186.3824 6.690209 1021.741       73.01131 1192.913       180.8875 988.4272       79.80048 200.1747 15.52948 183.2485 7.440784 16.92619       17.22004 
1 1 1 -8  5  28 o 408.0450 11.13639 4912.140       266.2544 0.000000       0.000000 4912.140       266.2544 ?        ?        408.0450 11.13639 0.000000       11.13639 
1 1 1 -8  5  29 o 193.4949 6.781516 1101.659       76.83779 1146.545       182.6466 1092.007       84.69737 195.8982 16.03783 192.5692 7.513924 3.329010       17.71076 
1 1 1 -8  5  30 o 59.15834 17.00038 106.5331       62.10561 74.97210       74.70668 177.1452       111.7439 53.60612 18.99170 76.30782 23.04046 -22.70169      29.85879 
1 1 1 -8  5  31 o 272.1638 6.100336 2176.316       97.37210 2221.620       135.4026 2127.793       140.1288 274.6147 8.417166 268.6733 8.905390 5.941315       12.25376 
1 1 1 -8  5  32 o 71.32509 15.92855 156.9620       64.94452 110.3967       89.46863 208.8265       94.42228 62.33345 20.83374 81.95990 19.85539 -19.62645      28.77987 
1 1 1 -8  5  33 o 189.2476 7.930603 1055.459       87.82610 962.9041       119.0720 1165.892       130.0644 180.2669 11.31986 198.4429 11.22137 -18.17599      15.93920 
1 1 1 -8  5  34 o 202.3632 7.230288 1205.804       85.67203 1203.211       116.6965 1208.835       126.1750 201.7837 9.891144 202.1272 10.68175 -0.3435669     14.55797 
1 1 1 -8  5  35 o 77.36275 16.57196 185.0564       72.92508 120.4064       97.36548 267.6646       110.0607 64.86753 21.73459 92.57176 20.78288 -27.70423      30.07192 
1 1 1 -8  5  36 o 136.8187 10.06320 555.7315       80.18312 631.4377       111.9409 475.9570       114.9094 145.2639 13.28652 125.3263 15.99797 19.93760       20.79584 
1 1 1 -8  5  37 o 60.64848 19.04595 110.2685       75.45398 0.5740539      102.7756 238.5201       111.1294 47.90895 20.51707 86.90079 21.83491 -38.99185      29.96187 
1 1 1 -8  5  38 o 38.64405 17.29479 -32.07537      80.56321 -142.1146      114.6160 75.38187       113.2633 38.53232 18.35999 59.39340 22.93436 -20.86108      29.37812 
1 1 1 -8  5  39 o 164.3516 9.857408 802.4347       94.57725 856.8474       137.1877 753.1504       130.5629 168.7779 13.98499 158.0932 14.23399 10.68474       19.95461 
1 1 1 -8  5  40 o 257.2468 8.612012 1959.311       129.7456 1884.134       214.5649 2002.645       162.9028 249.9758 14.70048 259.3960 10.73134 -9.420135      18.20070 
1 1 1 -8  5  41 o 79.64630 18.61571 202.5512       85.38568 278.3344       123.6265 133.4249       118.0721 92.25114 22.94533 67.62989 23.88360 24.62125       33.11970 
1 1 1 -8  5  42 o 78.80278 17.91805 199.1764       80.93042 175.6886       116.2403 221.2731       112.7455 73.84295 23.69393 81.86712 22.69477 -8.024170      32.80937 
1 1 1 -8  5  43 o 63.73821 20.30463 128.8549       85.48131 198.0730       121.3013 60.57045       120.4805 77.24519 24.13287 56.85222 23.09718 20.39297       33.40471 
1 1 1 -8  5  44 o 41.99468 18.26709 -2.880956      84.00095 -43.88133      116.9028 40.88607       120.7827 45.15373 20.46372 54.27206 22.69008 -9.118336      30.55493 
1 1 1 -8  5  45 o 61.19135 20.46565 118.9110       86.33312 131.3391       116.3219 103.6690       128.8192 65.24709 23.62882 62.45795 24.36373 2.789146       33.93984 
1 1 1 -8  5  46 o 106.9408 15.52062 363.2371       94.50181 361.0500       132.5328 365.4993       134.7872 102.4590 22.65792 102.9364 22.91620 -0.4773254     32.22629 
1 1 1 -8  5  47 o 173.8014 10.57979 918.7396       107.3294 840.8510       147.9059 1005.375       155.9899 162.8094 15.68402 178.6669 15.02592 -15.85757      21.72019 
1 1 1 -8  5  48 o 46.24719 20.35159 0.6093013      106.9637 -8.069355      155.2865 8.444621       147.5488 53.29703 23.91963 53.53257 23.71447 -0.2355423     33.68271 
1 1 1 -8  5  49 o 125.3760 15.93718 507.2612       114.5416 350.6404       161.0125 667.7287       162.9778 95.54980 27.34618 140.2614 20.41090 -44.71164      34.12358 
1 1 1 -8  5  50 o 166.4431 13.09568 868.4554       126.8044 862.2689       183.3742 874.1245       175.5394 159.2514 20.07924 161.6055 18.87626 -2.354019      27.55883 
1 1 1 -8  5  51 o 88.42698 24.25901 292.1715       129.5792 413.1985       196.4730 199.0007       172.3858 98.92245 30.68324 73.29158 28.29580 25.63087       41.73864 
1 1 1 -8  6  1  o 583.2858 20.48868 10083.78       699.7950 0.000000       0.000000 10083.78       699.7950 ?        ?        583.2858 20.48868 0.000000       20.48868 
1 1 1 -8  6  2  o 655.2491 22.88526 12755.68       878.1034 0.000000       0.000000 12755.68       878.1034 ?        ?        655.2491 22.88526 0.000000       22.88526 
1 1 1 -8  6  3  o 561.8083 11.41278 9282.736       376.0366 9137.016       635.8890 9361.098       466.3089 555.4691 19.55008 563.5609 14.11967 -8.091858      24.11578 
1 1 1 -8  6  4  o 589.1887 10.31561 10203.78       356.4509 9676.698       485.0414 10822.67       525.5923 572.9372 14.44667 606.0359 14.78768 -33.09869      20.67322 
1 1 1 -8  6  5  o 331.3308 7.232635 3222.868       140.5429 3088.415       195.0788 3367.964       202.6527 323.9945 10.27950 338.3600 10.22401 -14.36554      14.49822 
1 1 1 -8  6  6  o 489.2285 8.941894 7030.342       256.5616 6917.060       359.8747 7147.428       365.8653 484.6956 12.67081 492.7059 12.67195 -8.010254      17.92004 
1 1 1 -8  6  7  o 422.5425 8.130057 5242.301       201.4720 5113.592       281.1965 5378.068       288.8046 416.8954 11.51193 427.5464 11.52834 -10.65100      16.29193 
1 1 1 -8  6  8  o 162.9598 6.991245 780.8228       66.66135 807.5333       92.92806 752.5076       95.67889 165.5346 9.613472 159.7170 10.26885 5.817581       14.06656 
1 1 1 -8  6  9  o 564.6089 9.927223 9362.150       328.7199 9247.135       461.7330 9480.356       468.0926 560.5283 14.05677 567.7292 14.05854 -7.200928      19.88053 
1 1 1 -8  6  10 o 892.9548 14.70643 23449.37       770.1710 23843.67       1104.180 23075.78       1074.787 899.1028 20.94016 884.5607 20.71783 14.54211       29.45707 
1 1 1 -8  6  11 o 325.1504 8.349388 3104.759       159.0853 3009.665       290.5113 3145.489       190.1257 319.5422 15.54855 327.1793 9.919883 -7.637054      18.44347 
1 1 1 -8  6  12 o 509.2543 9.188836 7611.590       274.4389 8119.523       407.5399 7190.140       371.2272 525.5557 13.23264 494.5832 12.80901 30.97256       18.41666 
1 1 1 -8  6  13 o 820.8450 15.72256 19806.68       756.8936 22147.53       1427.153 18890.59       892.7974 865.2043 28.16310 801.1843 19.00072 64.02002       33.97333 
1 1 1 -8  6  14 f 475.8506 10.00731 6646.535       279.2792 6423.489       468.7223 6769.305       347.7471 467.0361 17.14163 479.9407 12.36480 -12.90460      21.13584 
1 1 1 -8  6  15 o 316.3116 8.078624 2937.821       149.7433 2824.314       247.9809 3002.962       187.8606 309.7469 13.68466 319.6881 10.03221 -9.941284      16.96807 
1 1 1 -8  6  16 o 664.4883 11.40349 12965.96       444.4016 13020.34       632.2818 12912.87       624.7437 665.4050 16.20220 662.6678 16.07516 2.737122       22.82372 
1 1 1 -8  6  17 o 808.0229 15.61646 19198.65       740.0428 19407.79       915.3165 18803.87       1257.545 811.8336 19.22444 797.0535 26.94079 14.78009       33.09660 
1 1 1 -8  6  18 o 139.8581 9.598759 576.9219       78.25496 606.6693       220.8262 572.6497       83.68584 140.7837 27.73234 139.2736 10.31879 1.510132       29.58986 
1 1 1 -8  6  19 o 195.5938 7.139830 1124.092       81.76439 1345.684       235.8673 1093.827       87.16951 212.8634 19.09637 192.9059 7.720523 19.95757       20.59801 
1 1 1 -8  6  20 f 491.6658 8.292840 7095.740       239.1244 6827.609       524.8046 7165.993       268.6302 480.9520 18.64097 494.0316 9.271492 -13.07965      20.81937 
1 1 1 -8  6  21 o 345.5861 6.722050 3504.838       136.2412 3719.425       335.5814 3462.489       149.0801 354.9926 16.16101 343.4638 7.400961 11.52875       17.77506 
1 1 1 -8  6  22 o 306.0594 10.32744 2755.771       185.1086 2853.510       283.7625 2683.369       244.2293 310.8065 15.61738 301.6148 13.84377 9.191681       20.86990 
1 1 1 -8  6  23 o 271.5159 6.403756 2163.818       101.9719 2090.145       238.7615 2180.254       112.7745 265.8200 15.38101 272.4261 7.064449 -6.606079      16.92577 
1 1 1 -8  6  24 o 651.9208 10.27103 12497.78       392.6985 12062.20       837.7540 12620.44       444.5660 636.6995 22.47051 654.8636 11.57537 -18.16406      25.27673 
1 1 1 -8  6  25 o 450.3008 7.687183 5956.936       203.0114 5541.751       437.7226 6070.717       229.1467 432.3817 17.29651 454.4765 8.597094 -22.09482      19.31526 
1 1 1 -8  6  26 o 406.4884 9.173154 4859.837       218.6842 5642.600       428.5124 4584.183       254.2909 436.1571 16.78345 394.3809 11.00498 41.77628       20.06972 
1 1 1 -8  6  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  6  28 o 474.2174 8.889479 6617.541       247.2318 0.000000       0.000000 6617.541       247.2318 ?        ?        474.2174 8.889479 0.000000       8.889479 
1 1 1 -8  6  29 o 387.5956 7.172051 4416.386       163.0319 4585.473       372.9991 4376.455       181.2633 392.6015 16.23466 385.7195 8.012863 6.882050       18.10443 
1 1 1 -8  6  30 o 66.77634 16.02630 137.7226       61.96317 0.000000       0.000000 137.7226       61.96317 ?        ?        66.77634 16.02630 0.000000       16.02630 
1 1 1 -8  6  31 o 424.0792 8.528551 5293.622       212.1157 5868.698       449.7570 5129.118       240.5484 443.5967 17.32106 417.1796 9.831708 26.41711       19.91687 
1 1 1 -8  6  32 o 228.0807 6.648901 1530.203       88.84338 1432.745       120.1418 1647.810       131.9776 220.3565 9.317496 236.3097 9.542501 -15.95325      13.33698 
1 1 1 -8  6  33 o 372.3857 6.925698 4076.535       151.2541 4137.588       211.5431 4012.676       216.3490 374.6048 9.636866 368.8231 10.01124 5.781708       13.89583 
1 1 1 -8  6  34 o 227.6324 7.003909 1525.057       93.39166 1632.928       130.3847 1411.403       133.8344 235.2016 9.471633 218.4731 10.47579 16.72852       14.12282 
1 1 1 -8  6  35 o 86.48948 15.49303 229.1127       75.70059 284.1497       106.9070 173.7661       107.2072 95.61429 19.71989 75.26432 22.53260 20.34997       29.94315 
1 1 1 -8  6  36 o 316.2276 6.985191 2942.733       129.5474 3047.607       180.7075 2831.846       185.8145 321.1700 9.604593 309.4188 10.25375 11.75116       14.04947 
1 1 1 -8  6  37 o 321.6650 6.923847 3045.897       130.6176 2970.933       180.6780 3127.969       189.0486 316.9375 9.731866 325.1580 9.925154 -8.220490      13.90028 
1 1 1 -8  6  38 o 72.93279 19.07678 166.8650       82.51437 245.1323       118.3236 92.76826       115.1279 87.80446 22.78374 62.13564 23.32764 25.66882       32.60794 
1 1 1 -8  6  39 o 271.9474 10.67306 2196.915       169.8949 0.000000       0.000000 2196.915       169.8949 ?        ?        271.9474 10.67306 0.000000       10.67306 
1 1 1 -8  6  40 o 115.0883 18.98605 414.2785       123.6846 309.7387       163.9546 552.3436       188.4189 96.94913 27.54547 130.4253 25.54704 -33.47617      37.56866 
1 1 1 -8  6  41 o 207.0762 9.045645 1275.140       109.5901 1007.991       172.3325 1456.526       142.0015 181.1456 16.39888 220.6175 11.00973 -39.47191      19.75190 
1 1 1 -8  6  42 o 42.59425 18.27920 3.637591       81.89404 -10.82964      119.7949 16.33043       112.2083 49.18460 21.59451 50.53492 21.53407 -1.350323      30.49654 
1 1 1 -8  6  43 o 176.0197 9.427185 927.3801       96.96315 992.1180       136.9686 862.3425       137.2851 180.4399 13.03086 167.6275 14.09501 12.81239       19.19564 
1 1 1 -8  6  44 o 191.4614 9.016534 1096.810       100.9600 1106.987       139.0450 1085.462       146.8310 190.6131 12.50715 188.2322 13.38805 2.380859       18.32126 
1 1 1 -8  6  45 f 81.92667 18.85337 221.9500       88.70480 174.5308       121.1142 276.8197       130.2819 72.16641 24.24146 89.00764 24.28690 -16.84122      34.31475 
1 1 1 -8  6  46 o 77.68575 20.32717 204.2709       93.66398 397.7284       133.7546 18.12138       131.2040 108.1318 21.84419 52.71721 22.88135 55.41456       31.63424 
1 1 1 -8  6  47 o 148.7929 12.25542 682.9169       105.9978 600.3826       148.8467 767.8376       150.9832 134.6464 19.40902 154.5004 16.94028 -19.85394      25.76205 
1 1 1 -8  6  48 o 57.57029 22.14240 94.74352       105.2780 -10.95107      143.8551 216.6330       154.4835 51.33344 23.03165 76.93401 27.30495 -25.60056      35.72138 
1 1 1 -8  6  49 o 46.21801 21.35445 -57.89225      135.7235 -28.71810      161.8345 -127.0616      249.1890 52.34171 23.86019 57.55749 27.32402 -5.215782      36.27548 
1 1 1 -8  6  50 o 76.39948 24.19990 215.1109       121.5712 260.0606       175.7703 173.8879       168.3265 81.06213 29.08606 70.78042 27.77966 10.28171       40.22075 
1 1 1 -8  6  51 o 81.40422 25.00995 251.4800       130.9040 161.7445       194.0842 326.3695       177.3040 70.01952 28.97499 88.95850 29.31557 -18.93897      41.21835 
1 1 1 -8  7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  7  3  o 147.2271 7.926399 638.3246       68.18835 552.3769       93.81995 734.5615       99.27706 136.5332 11.83345 157.7052 10.79895 -21.17191      16.02023 
1 1 1 -8  7  4  o 216.8894 7.560088 1382.778       96.01765 1481.509       149.2096 1312.996       125.4413 224.1749 11.38633 211.1273 10.16067 13.04759       15.26066 
1 1 1 -8  7  5  o 434.0020 8.339630 5531.158       212.2702 5517.340       301.1750 5544.798       299.2253 432.9854 11.87149 434.0762 11.76474 -1.090790      16.71351 
1 1 1 -8  7  6  o 478.2406 8.840607 6716.763       247.9585 6539.440       345.3007 6905.551       356.2902 471.3711 12.50165 484.3881 12.55238 -13.01700      17.71591 
1 1 1 -8  7  7  o 167.3484 7.156052 823.4565       70.07157 837.5296       98.08901 808.7902       100.1350 168.5631 9.966673 165.5999 10.36233 2.963120       14.37750 
1 1 1 -8  7  8  f 439.6642 8.358685 5674.542       215.5309 5734.535       306.4055 5615.784       303.2328 441.5851 11.84196 436.9856 11.84293 4.599518       16.74775 
1 1 1 -8  7  9  f 203.6042 6.671316 1217.646       79.55399 1200.728       111.6215 1235.112       113.4126 202.0119 9.447675 204.8889 9.463831 -2.877014      13.37246 
1 1 1 -8  7  10 o 447.9755 8.422760 5889.757       221.2887 5762.914       309.9043 6021.712       316.0862 442.7754 11.94512 452.6177 11.91795 -9.842316      16.87375 
1 1 1 -8  7  11 o 234.9276 6.764513 1620.543       93.10406 1722.096       135.5919 1529.948       128.0680 242.0289 9.571350 228.1033 9.594659 13.92563       13.55242 
1 1 1 -8  7  12 o 395.6856 10.99342 4600.253       254.8665 0.000000       0.000000 4600.253       254.8665 ?        ?        395.6856 10.99342 0.000000       10.99342 
1 1 1 -8  7  13 o 850.0411 19.97975 21272.31       996.0486 20933.32       1394.419 21625.48       1423.275 841.1093 28.30803 854.8848 28.42727 -13.77551      40.11800 
1 1 1 -8  7  14 o 682.8685 13.35077 13698.65       534.6801 13177.93       895.7918 13986.83       666.4087 668.2121 22.89202 689.6892 16.47543 -21.47711      28.20433 
1 1 1 -8  7  15 o 815.0639 13.57849 19518.58       649.0732 20416.83       951.8171 18737.76       887.4190 832.7510 19.48892 797.8584 18.96498 34.89258       27.19354 
1 1 1 -8  7  16 o 592.9644 11.94337 10326.74       415.3420 10367.71       716.1552 10305.97       509.8446 592.8597 20.62846 592.1293 14.68151 0.7304688      25.31956 
1 1 1 -8  7  17 o 468.3800 10.29518 6441.057       282.8022 0.000000       0.000000 6441.057       282.8022 ?        ?        468.3800 10.29518 0.000000       10.29518 
1 1 1 -8  7  18 o 428.0052 7.794205 5375.913       195.6462 4886.645       439.3485 5496.934       218.5071 406.9319 18.45734 432.7593 8.609316 -25.82745      20.36648 
1 1 1 -8  7  19 o 574.1633 9.225276 9678.316       310.6457 9034.231       664.3465 9858.551       351.4320 553.0804 20.51678 579.3978 10.34223 -26.31732      22.97607 
1 1 1 -8  7  20 o 247.8539 6.545124 1803.859       95.05698 1847.216       248.1338 1796.402       102.9076 249.8519 17.03563 247.3109 7.102377 2.541092       18.45688 
1 1 1 -8  7  21 o 302.9129 6.559780 2692.742       116.5353 2757.208       289.7366 2680.301       127.2849 305.4839 16.23028 302.1889 7.182042 3.295013       17.74834 
1 1 1 -8  7  22 o 500.2392 8.323093 7348.625       244.1816 7604.493       559.3286 7288.377       271.4112 507.0174 18.84299 498.0955 9.291046 8.921875       21.00909 
1 1 1 -8  7  23 o 615.2446 9.806779 11125.61       353.8545 10937.04       766.7656 11176.63       398.8686 606.9438 21.57520 616.4642 11.03244 -9.520325      24.23230 
1 1 1 -8  7  24 o 287.8108 6.326229 2431.777       106.7831 2316.171       252.5509 2456.943       117.8342 279.6873 15.45674 289.2628 6.945898 -9.575500      16.94568 
1 1 1 -8  7  25 o 377.2431 7.937984 4181.718       175.6232 4047.782       347.0572 4227.821       203.6182 369.6452 16.04728 379.1884 9.156109 -9.543182      18.47564 
1 1 1 -8  7  26 o 219.8006 7.911950 1421.816       101.8249 1669.002       218.8185 1353.497       115.0391 236.9578 15.83663 214.3129 9.173876 22.64493       18.30188 
1 1 1 -8  7  27 o 484.7140 10.67081 6921.923       303.3427 0.000000       0.000000 6921.923       303.3427 ?        ?        484.7140 10.67081 0.000000       10.67081 
1 1 1 -8  7  28 o 164.1010 7.147165 793.0052       68.62033 862.6223       179.1138 781.0295       74.28834 169.2718 18.33477 162.7885 7.803924 6.483231       19.92649 
1 1 1 -8  7  29 o 123.5514 8.820857 451.6109       63.49547 671.2788       164.9037 413.3739       68.80013 148.7488 19.36186 118.0169 10.03527 30.73188       21.80799 
1 1 1 -8  7  30 o 176.8556 7.161112 921.1120       74.12260 1092.790       193.3386 891.5304       80.25490 190.7860 17.47293 173.9078 7.889228 16.87820       19.17142 
1 1 1 -8  7  31 o 339.0081 6.991090 3378.622       138.9970 3423.847       321.5502 3368.229       154.1425 339.0258 16.21911 338.3861 7.767109 0.6396790      17.98298 
1 1 1 -8  7  32 o 310.4114 6.563982 2831.752       119.4966 2753.602       162.9969 2922.564       175.7052 305.6532 9.102989 314.8233 9.527242 -9.170074      13.17698 
1 1 1 -8  7  33 o 74.43390 17.35946 171.5218       74.38232 149.3784       102.5677 196.0865       108.0297 70.71239 22.20573 79.57999 22.27267 -8.867592      31.45102 
1 1 1 -8  7  34 o 56.54889 18.82329 90.95316       73.04760 168.8475       99.89037 1.416583       107.0954 74.13186 21.63726 49.20840 21.00534 24.92345       30.15618 
1 1 1 -8  7  35 o 90.26395 15.28580 248.8901       78.03446 157.5432       106.5041 354.7662       114.6617 72.25846 22.61874 107.2861 18.91410 -35.02764      29.48475 
1 1 1 -8  7  36 o 130.0105 10.82068 503.3398       81.75832 415.4619       114.7824 593.8421       116.4838 116.5554 17.31711 140.5393 14.33284 -23.98391      22.47916 
1 1 1 -8  7  37 o 317.2164 6.991112 2962.719       130.0626 2939.673       181.4771 2987.056       186.4982 315.2097 9.828853 317.6863 10.02235 -2.476563      14.03758 
1 1 1 -8  7  38 o 172.7752 12.79219 892.9563       128.7021 741.9686       167.6050 1109.921       200.9140 155.5987 18.74376 190.9361 18.16044 -35.33731      26.09847 
1 1 1 -8  7  39 o 228.6829 9.053167 1548.994       121.1786 1631.705       204.1781 1504.018       150.5627 232.7063 15.04122 224.6556 11.46537 8.050644       18.91278 
1 1 1 -8  7  40 o 212.3365 8.237186 1335.292       102.3834 1467.334       149.7936 1219.522       140.2601 221.5596 11.56802 201.8182 11.90299 19.74146       16.59820 
1 1 1 -8  7  41 o 94.41656 15.84479 278.0245       84.63237 338.5120       122.8885 223.4517       116.7256 102.3361 21.17409 82.58392 23.16557 19.75215       31.38448 
1 1 1 -8  7  42 o 81.78013 18.70503 216.0649       87.76000 180.3761       132.9661 243.6119       116.8186 75.04422 25.40014 85.58491 22.84659 -10.54069      34.16334 
1 1 1 -8  7  43 o 192.3947 8.947936 1105.606       100.6875 1052.404       141.2949 1160.495       143.5183 185.8020 13.04957 195.4029 12.59051 -9.600922      18.13318 
1 1 1 -8  7  44 o 165.5823 9.934413 824.9344       96.02954 839.9528       132.8659 808.5088       138.9509 165.1475 13.84534 161.4385 14.84185 3.709045       20.29714 
1 1 1 -8  7  45 o 154.7888 10.75479 726.9299       97.02481 669.1818       131.5567 795.8019       143.6697 145.8172 15.62690 159.1499 15.59234 -13.33267      22.07535 
1 1 1 -8  7  46 o 91.26604 18.42897 274.9767       95.23999 314.5523       133.6647 234.1635       135.7386 94.41365 24.07025 81.07557 25.55704 13.33808       35.10754 
1 1 1 -8  7  47 o 104.2281 18.15792 358.1330       106.9629 424.3324       151.3082 292.0033       151.2285 109.2270 24.25215 88.62554 26.81327 20.60143       36.15409 
1 1 1 -8  7  48 o 52.57250 21.49393 59.01781       105.1321 6.450712       151.5235 107.8152       145.9893 53.79673 23.92040 62.91901 25.47500 -9.122276      34.94511 
1 1 1 -8  7  49 o 73.60753 26.03902 197.1588       140.3931 228.2977       168.7025 127.0178       253.1956 77.73297 28.41035 71.58276 31.41248 6.150208       42.35435 
1 1 1 -8  7  50 o 94.76786 22.64887 323.5150       124.1622 344.3213       187.2844 307.1993       165.8472 91.22155 30.13236 87.77047 28.31470 3.451080       41.34829 
1 1 1 -8  8  1  o 991.5236 33.02240 29499.47       1917.591 0.000000       0.000000 29499.47       1917.591 ?        ?        991.5236 33.02240 0.000000       33.02240 
1 1 1 -8  8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  8  4  o 254.4153 8.564295 1902.833       127.6045 1917.362       177.0661 1887.134       184.0568 255.0921 11.86806 253.0084 12.44229 2.083664       17.19481 
1 1 1 -8  8  5  f 645.1817 12.77792 12242.05       483.4957 12587.38       845.4203 12074.21       589.3963 651.9495 22.14313 640.2682 15.69622 11.68134       27.14202 
1 1 1 -8  8  6  o 576.1564 10.14493 9750.675       342.7995 9589.115       480.0725 9918.748       489.6529 570.7025 14.35461 580.6067 14.37990 -9.904175      20.31837 
1 1 1 -8  8  7  o 662.5856 11.35270 12898.48       441.1555 12835.46       622.6921 12961.99       625.0909 660.3280 16.07915 663.5774 16.06205 -3.249390      22.72726 
1 1 1 -8  8  8  o 792.0475 13.23247 18438.90       614.6711 18532.87       872.1473 18346.15       866.4333 793.1337 18.74964 789.1337 18.72121 4.000000       26.49590 
1 1 1 -8  8  9  o 408.4547 8.035987 4896.018       192.5013 4966.018       274.3176 4828.102       270.2049 411.0476 11.39016 405.2961 11.37890 5.751526       16.10016 
1 1 1 -8  8  10 o 305.7078 7.110050 2742.018       127.4764 2764.502       181.6888 2720.218       178.9011 306.7068 10.11460 304.2426 10.04009 2.464203       14.25161 
1 1 1 -8  8  11 o 751.5190 12.61018 16588.25       555.7913 17007.66       802.4758 16201.59       770.5131 760.3256 17.99624 742.1285 17.70314 18.19708       25.24413 
1 1 1 -8  8  12 o 191.5077 8.745961 1078.512       97.97074 966.2270       209.4876 1109.945       110.8387 180.0451 20.18650 194.2179 9.762169 -14.17276      22.42309 
1 1 1 -8  8  13 o 565.2825 9.979812 9379.629       330.8555 9643.396       478.6500 9138.295       457.8439 572.8787 14.24639 557.5173 14.01370 15.36133       19.98358 
1 1 1 -8  8  14 o 678.8401 13.30644 13537.98       529.7610 13519.07       911.8022 13547.62       650.8915 676.7465 23.00679 678.7639 16.35081 -2.017395      28.22519 
1 1 1 -8  8  15 o 523.4857 13.39459 8056.720       410.8922 0.000000       0.000000 8056.720       410.8922 ?        ?        523.4857 13.39459 0.000000       13.39459 
1 1 1 -8  8  16 o 835.4581 19.66662 20558.01       963.6179 0.000000       0.000000 20558.01       963.6179 ?        ?        835.4581 19.66662 0.000000       19.66662 
1 1 1 -8  8  17 o 813.9941 12.46771 19466.43       595.1940 19806.45       1335.598 19382.17       664.8632 817.5148 27.89756 812.0353 13.96069 5.479431       31.19575 
1 1 1 -8  8  18 o 233.0833 6.967461 1595.542       95.13677 1494.312       262.6851 1610.825       102.0658 224.2460 20.18973 234.1729 7.441233 -9.926865      21.51737 
1 1 1 -8  8  19 o 394.2831 7.278315 4562.139       168.3021 4502.376       400.5999 4574.948       185.4638 390.5890 17.53270 394.8045 8.009890 -4.215515      19.27574 
1 1 1 -8  8  20 o 283.1627 6.622569 2352.933       109.9798 2092.794       272.9631 2403.348       120.1651 265.8909 17.60362 286.0728 7.167928 -20.18188      19.00702 
1 1 1 -8  8  21 o 53.35487 20.81238 51.14740       94.00050 81.72085       179.5379 39.60142       110.3314 71.74963 28.52331 55.00786 22.19132 16.74177       36.13909 
1 1 1 -8  8  22 o 561.8765 9.107537 9274.786       300.1182 8412.240       624.2524 9534.083       342.2685 532.8693 20.01065 569.5369 10.24695 -36.66760      22.48168 
1 1 1 -8  8  23 o 315.3476 6.558119 2919.300       121.2884 2618.135       276.7646 2990.888       134.9359 297.4195 15.92490 319.1540 7.209027 -21.73450      17.48064 
1 1 1 -8  8  24 o 310.3778 6.387407 2828.325       116.2695 2834.431       281.0788 2827.065       127.7078 309.4093 15.53949 310.2697 7.018229 -0.8603821     17.05084 
1 1 1 -8  8  25 o 179.7011 6.799277 949.7900       71.52862 937.4861       195.8386 951.6841       76.83712 176.6886 19.20776 179.8392 7.300284 -3.150650      20.54829 
1 1 1 -8  8  26 f 524.0453 13.23189 8112.326       406.3439 0.000000       0.000000 8112.326       406.3439 ?        ?        524.0453 13.23189 0.000000       13.23189 
1 1 1 -8  8  27 o 461.9987 8.003416 6276.035       216.8536 6389.763       486.4804 6247.833       242.2533 463.3045 17.93782 460.8000 8.964100 2.504517       20.05294 
1 1 1 -8  8  28 o 275.6589 7.157377 2235.172       115.6136 0.000000       0.000000 2235.172       115.6136 ?        ?        275.6589 7.157377 0.000000       7.157377 
1 1 1 -8  8  29 o 267.3983 9.381305 2108.551       146.8923 0.000000       0.000000 2108.551       146.8923 ?        ?        267.3983 9.381305 0.000000       9.381305 
1 1 1 -8  8  30 o 357.3188 6.969032 3753.418       146.0424 3941.244       351.3852 3714.199       160.5675 363.6837 16.51750 355.3477 7.704661 8.336060       18.22607 
1 1 1 -8  8  31 o 406.8698 7.550740 4868.678       180.1754 4873.838       412.3033 4867.460       200.3144 404.1603 17.43554 406.6770 8.398701 -2.516693      19.35294 
1 1 1 -8  8  32 o 262.1373 7.424326 2022.322       114.0246 2359.077       294.5897 1962.980       123.6638 280.7670 17.98501 258.1594 8.178097 22.60760       19.75707 
1 1 1 -8  8  33 o 349.1582 6.767049 3583.684       138.5709 3484.196       188.6574 3700.242       204.2022 343.7668 9.366219 354.1737 9.840445 -10.40686      13.58530 
1 1 1 -8  8  34 o 138.5608 9.563312 568.6977       77.23729 474.7807       103.9493 684.4598       115.4071 125.6901 14.35898 151.4561 13.12191 -25.76603      19.45160 
1 1 1 -8  8  35 o 184.6940 8.119796 1006.593       87.73762 901.9424       120.7102 1123.803       127.7482 174.1685 11.88873 194.6322 11.23933 -20.46376      16.36046 
1 1 1 -8  8  36 o 124.3331 13.13051 464.1999       94.30110 657.4526       155.4727 351.7233       118.6103 146.7608 18.47138 106.3720 19.73932 40.38882       27.03391 
1 1 1 -8  8  37 o 205.8605 8.951077 1253.470       107.8101 1245.732       127.9469 1272.415       200.1990 204.8494 10.68683 205.2321 16.77917 -0.3826294     19.89344 
1 1 1 -8  8  38 o 83.24593 18.10491 217.0030       85.86866 182.5396       123.2760 249.4836       119.6772 76.95925 24.36796 88.46517 22.89276 -11.50592      33.43465 
1 1 1 -8  8  39 o 165.4698 12.23550 820.1334       117.8984 1184.341       240.0634 704.3674       135.3449 195.2370 21.31155 152.3383 15.35839 42.89864       26.26903 
1 1 1 -8  8  40 o 114.9683 14.51166 404.0673       95.67091 279.6612       158.9023 474.8058       119.8222 92.05101 27.40250 123.9150 16.93007 -31.86404      32.21062 
1 1 1 -8  8  41 o 146.2721 15.29082 657.4160       129.2370 0.000000       0.000000 657.4160       129.2370 ?        ?        146.2721 15.29082 0.000000       15.29082 
1 1 1 -8  8  42 o 95.08809 16.63064 285.7578       89.36845 479.8794       136.1594 138.8379       118.4543 122.3524 19.63944 67.69329 23.92076 54.65910       30.95012 
1 1 1 -8  8  43 o 72.30181 19.73981 171.4082       86.03622 122.9819       120.6666 221.4854       122.7062 65.09161 23.98804 80.98452 24.07321 -15.89291      33.98449 
1 1 1 -8  8  44 o 194.1735 8.914895 1128.527       101.2503 1156.804       139.5410 1097.086       147.1402 194.8461 12.27359 189.0809 13.35476 5.765198       18.13810 
1 1 1 -8  8  45 o 70.06429 20.25382 164.3279       87.90689 181.1938       121.8911 146.0479       126.8982 73.07914 24.31496 67.86102 24.66474 5.218117       34.63475 
1 1 1 -8  8  46 o 73.16846 21.29062 182.8969       96.84726 119.8481       131.3838 257.9205       143.3185 64.11703 24.71612 84.42461 26.20924 -20.30758      36.02514 
1 1 1 -8  8  47 o 105.5294 18.02207 366.9245       107.5378 354.9354       154.3059 378.2464       149.9504 97.92928 26.30938 102.0659 25.20277 -4.136665      36.43299 
1 1 1 -8  8  48 o 90.31541 21.17361 284.0165       110.1911 332.5095       162.6034 242.8349       149.8448 92.95113 27.73174 80.49780 26.96298 12.45334       38.67882 
1 1 1 -8  8  49 f 115.8894 17.74180 445.0234       116.7530 456.9742       171.2672 434.6482       159.5791 109.6101 26.85668 108.0240 25.58533 1.586029       37.09300 
1 1 1 -8  8  50 o 153.2761 14.73720 750.4318       130.8460 736.4489       205.8262 759.9152       169.5056 140.8254 25.87442 149.5568 19.81223 -8.731445      32.58849 
1 1 1 -8  9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  9  2  o 710.0365 16.90935 14857.20       704.1384 13793.43       938.6231 16226.43       1064.890 682.1837 23.49569 739.6029 24.58440 -57.41925      34.00647 
1 1 1 -8  9  3  o 656.3770 22.37862 12754.41       860.2041 12754.41       860.2041 0.000000       0.000000 656.3770 22.37862 ?        ?        0.000000       22.37862 
1 1 1 -8  9  4  o 377.4346 10.36909 4187.708       229.3089 4691.720       343.0742 3780.716       308.2909 399.0406 14.68459 358.1496 14.70858 40.89105       20.78412 
1 1 1 -8  9  5  o 635.9925 12.68229 11889.77       473.0424 12636.30       842.9977 11546.66       571.5015 653.7061 22.01982 626.3676 15.55742 27.33844       26.96119 
1 1 1 -8  9  6  o 329.5898 8.234702 3188.424       159.1740 3197.045       258.0245 3183.127       202.2424 329.5121 13.37960 329.0531 10.49328 0.4589844      17.00361 
1 1 1 -8  9  7  o 955.6086 15.70605 26861.82       880.2325 26251.78       1223.056 27517.33       1267.824 943.2545 22.10889 965.6482 22.38668 -22.39374      31.46373 
1 1 1 -8  9  8  o 782.4010 13.08767 17986.30       600.5405 18301.60       861.3630 17688.07       837.7155 788.4272 18.62834 775.1323 18.42766 13.29486       26.20293 
1 1 1 -8  9  9  o 854.0046 14.15385 21432.25       708.9006 21370.96       1000.131 21494.13       1004.960 851.8746 20.01846 854.3190 20.05757 -2.444397      28.33804 
1 1 1 -8  9  10 o 691.7995 11.76969 14053.66       477.5245 13840.80       667.8781 14276.28       683.0198 686.0659 16.59896 696.7615 16.71470 -10.69568      23.55646 
1 1 1 -8  9  11 o 743.2432 14.52382 16232.67       633.0854 15433.67       1066.959 16666.83       786.4992 722.7729 25.20930 752.7206 17.81615 -29.94775      30.86947 
1 1 1 -8  9  12 o 604.8868 14.89014 10753.02       528.2305 0.000000       0.000000 10753.02       528.2305 ?        ?        604.8868 14.89014 0.000000       14.89014 
1 1 1 -8  9  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  9  14 o 917.7380 21.42587 24819.39       1153.208 0.000000       0.000000 24819.39       1153.208 ?        ?        917.7380 21.42587 0.000000       21.42587 
1 1 1 -8  9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  9  16 o 620.1503 15.32959 11309.08       557.5427 0.000000       0.000000 11309.08       557.5427 ?        ?        620.1503 15.32959 0.000000       15.32959 
1 1 1 -8  9  17 o 372.2508 9.496387 4070.742       207.1523 0.000000       0.000000 4070.742       207.1523 ?        ?        372.2508 9.496387 0.000000       9.496387 
1 1 1 -8  9  18 o 528.9567 8.773249 8213.408       272.1643 8597.533       644.6841 8130.100       300.2303 539.5399 20.41064 526.2030 9.728609 13.33691       22.61062 
1 1 1 -8  9  19 o 494.6986 8.325543 7184.051       241.5482 7322.922       564.9790 7152.989       267.1997 497.9040 19.38504 493.5672 9.230796 4.336853       21.47062 
1 1 1 -8  9  20 o 298.3878 6.718457 2612.979       117.5713 2265.091       291.6560 2680.481       128.4723 276.5345 18.08257 302.1973 7.248837 -25.66284      19.48140 
1 1 1 -8  9  21 o 293.1114 6.584386 2521.600       113.1875 2342.701       285.1937 2555.047       123.3153 281.2447 17.37524 295.0262 7.126984 -13.78156      18.78012 
1 1 1 -8  9  22 o 264.1466 6.514837 2048.084       100.9251 1811.128       248.9035 2094.709       110.4087 247.0558 17.28761 267.0202 7.056502 -19.96434      18.67232 
1 1 1 -8  9  23 o 239.1129 6.301205 1679.579       88.28736 1409.292       219.5111 1731.740       96.43076 217.6560 17.33955 242.7664 6.779568 -25.11034      18.61780 
1 1 1 -8  9  24 o 454.8004 8.715050 6080.036       232.4563 5872.437       465.6399 6148.948       268.2778 444.9095 17.88190 457.1960 10.00534 -12.28653      20.49071 
1 1 1 -8  9  25 o 484.4304 9.121096 6902.177       259.1367 6261.725       497.3831 7140.792       303.5964 458.9082 18.51858 492.4909 10.51109 -33.58276      21.29368 
1 1 1 -8  9  26 o 237.7732 6.483207 1661.878       90.32288 2292.844       255.8304 1572.028       96.53990 277.8098 15.76670 231.1919 7.128578 46.61784       17.30333 
1 1 1 -8  9  27 o 120.1630 8.753100 427.0795       61.26247 229.7068       178.6393 453.3858       65.21742 88.64154 29.43413 123.7924 9.045379 -35.15091      30.79264 
1 1 1 -8  9  28 o 285.7805 7.216451 2402.484       120.8535 0.000000       0.000000 2402.484       120.8535 ?        ?        285.7805 7.216451 0.000000       7.216451 
1 1 1 -8  9  29 o 206.6122 9.218461 1259.731       111.4217 0.000000       0.000000 1259.731       111.4217 ?        ?        206.6122 9.218461 0.000000       9.218461 
1 1 1 -8  9  30 o 331.4422 6.885808 3229.285       133.8484 3450.588       324.0072 3183.748       146.9756 340.3208 16.28085 329.0064 7.617115 11.31442       17.97460 
1 1 1 -8  9  31 o 111.3274 11.04383 369.2321       71.15669 699.9175       208.8472 325.8033       75.68510 150.4286 24.51626 104.2362 12.63845 46.19237       27.58219 
1 1 1 -8  9  32 o 307.1967 8.610526 2780.054       154.9773 2495.667       308.5491 2876.008       179.2253 288.6851 18.31873 312.2470 9.799152 -23.56186      20.77496 
1 1 1 -8  9  33 o 273.5835 6.608872 2200.107       106.0395 1994.461       135.4445 2525.753       170.4411 260.0812 8.892859 292.5219 9.949426 -32.44067      13.34444 
1 1 1 -8  9  34 o 91.95547 14.52828 257.0461       75.75125 168.0808       101.4052 369.3744       113.9447 73.98002 21.85727 109.7135 18.35654 -35.73348      28.54300 
1 1 1 -8  9  35 o 324.1755 8.705218 3100.094       165.3549 3096.650       352.6340 3101.064       187.2132 320.5128 18.84293 323.9526 9.865314 -3.439789      21.26924 
1 1 1 -8  9  36 o 188.4401 8.337831 1049.024       91.91795 977.4291       126.0437 1130.349       134.3354 181.1741 11.92882 194.9156 11.80687 -13.74150      16.78389 
1 1 1 -8  9  37 o 205.2515 8.050396 1244.196       96.71882 1288.544       134.5545 1196.786       139.1220 208.2349 11.05742 200.4545 11.88732 7.780396       16.23499 
1 1 1 -8  9  38 o 89.98892 17.16511 251.7261       87.28641 128.9612       122.3973 378.7721       124.5131 68.26988 24.29684 110.0061 20.03758 -41.73625      31.49351 
1 1 1 -8  9  39 o 179.6813 9.483477 958.9442       99.58192 960.8170       141.9140 957.1275       139.7707 178.6512 13.64800 178.3687 13.46058 0.2825165      19.16912 
1 1 1 -8  9  40 o 99.86218 18.00219 313.7661       101.5553 364.2271       170.5038 286.0219       126.4278 104.1511 27.50926 93.56416 23.16428 10.58695       35.96308 
1 1 1 -8  9  41 o 39.35681 17.65321 -30.30902      84.44827 -194.0381      127.3921 98.04153       112.7920 37.94096 18.39868 61.28664 23.07249 -23.34568      29.51019 
1 1 1 -8  9  42 o 171.7110 9.757329 883.2900       97.85625 878.5521       142.6815 887.4979       134.4631 169.1063 14.52721 170.4643 13.56163 -1.357941      19.87354 
1 1 1 -8  9  43 o 276.7208 7.566572 2274.676       122.6828 2226.141       169.4016 2328.210       177.9103 272.0510 10.63787 278.0319 10.93210 -5.980865      15.25369 
1 1 1 -8  9  44 o 47.37359 19.56664 33.29871       88.27850 75.43188       124.0305 -9.959214      125.6751 58.47829 23.55081 49.59721 21.93278 8.881084       32.18210 
1 1 1 -8  9  45 o 37.52635 17.40757 -62.02873      91.53136 -270.3318      130.3932 140.3228       128.5170 34.55466 17.12136 67.05742 24.74841 -32.50275      30.09360 
1 1 1 -8  9  46 o 48.27215 20.22844 32.43413       96.33368 -111.9602      134.8244 183.0396       137.6937 43.06948 20.34282 73.06391 25.79284 -29.99443      32.84967 
1 1 1 -8  9  47 o 101.4114 18.23630 340.6440       104.4740 182.7242       142.9647 521.6235       153.0471 72.49023 26.20319 123.0673 22.01286 -50.57703      34.22240 
1 1 1 -8  9  48 o 81.47115 22.73153 237.2822       112.7133 253.7393       163.5027 222.3790       155.5926 81.54858 28.15158 77.42753 27.41028 4.121048       39.29166 
1 1 1 -8  9  49 o 147.6530 14.49035 693.5864       123.8649 697.4137       188.2797 690.6661       164.4678 139.4299 23.88353 142.3049 20.27972 -2.875031      31.33194 
1 1 1 -8  9  50 o 62.00659 24.14643 119.7375       126.3594 395.9640       192.5345 -89.25919      167.4733 97.43378 30.39849 48.85915 22.95178 48.57463       38.09006 
1 1 1 -8  10 1  o 1177.505 38.83632 41591.67       2678.285 0.000000       0.000000 41591.67       2678.285 ?        ?        1177.505 38.83632 0.000000       38.83632 
1 1 1 -8  10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  10 3  o 821.3966 19.23734 19886.31       926.7197 19474.40       1288.105 20328.29       1334.273 810.3546 27.14182 827.8186 27.52094 -17.46405      38.65334 
1 1 1 -8  10 4  o 234.3772 7.535979 1613.712       103.4524 1838.807       165.6704 1469.839       132.4501 249.9451 11.33133 223.5040 10.13088 26.44112       15.19979 
1 1 1 -8  10 5  o 412.9063 9.336786 5004.929       226.0994 5066.158       374.4858 4969.806       283.6289 414.7494 15.42255 411.1549 11.77449 3.594482       19.40344 
1 1 1 -8  10 6  o 422.3569 9.400791 5236.386       232.8598 5195.447       384.7662 5260.046       292.5099 420.0276 15.64690 423.0197 11.80196 -2.992065      19.59877 
1 1 1 -8  10 7  o 679.9943 13.34595 13585.71       532.2372 13243.25       895.3510 13772.84       661.8745 669.7260 22.82869 684.3087 16.49199 -14.58264      28.16265 
1 1 1 -8  10 8  o 69.08377 12.98788 144.7773       50.69049 79.63283       66.43587 235.5432       78.41973 53.68653 17.95300 88.19367 15.73877 -34.50714      23.87508 
1 1 1 -8  10 9  o 1110.716 18.05007 36293.97       1175.797 35967.29       1650.805 36630.34       1675.117 1103.929 25.49789 1114.018 25.63910 -10.08899      36.15945 
1 1 1 -8  10 10 o 625.4431 10.86684 11484.27       398.6041 11617.25       569.1351 11356.24       558.4396 628.6807 15.43600 621.5889 15.31872 7.091797       21.74703 
1 1 1 -8  10 11 o 493.8050 8.361359 7155.418       242.1491 6871.538       538.1670 7227.481       271.1476 482.8336 19.04239 496.2435 9.316663 -13.40985      21.19936 
1 1 1 -8  10 12 o 310.4662 8.620154 2830.834       156.8048 3078.500       343.7979 2765.781       176.1989 322.9514 18.22559 306.8056 9.804994 16.14578       20.69565 
1 1 1 -8  10 13 o 912.2188 13.86453 24451.65       741.7452 24421.76       1626.005 24459.50       833.5251 907.5767 30.59210 912.1199 15.58175 -4.543152      34.33173 
1 1 1 -8  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  10 15 o 733.4870 12.50130 15805.19       537.7718 0.000000       0.000000 15805.19       537.7718 ?        ?        733.4870 12.50130 0.000000       12.50130 
1 1 1 -8  10 16 o 619.1741 10.84090 11258.60       393.6665 0.000000       0.000000 11258.60       393.6665 ?        ?        619.1741 10.84090 0.000000       10.84090 
1 1 1 -8  10 17 o 507.7629 9.368440 7569.310       278.9836 0.000000       0.000000 7569.310       278.9836 ?        ?        507.7629 9.368440 0.000000       9.368440 
1 1 1 -8  10 18 o 561.6008 9.147707 9260.062       301.2940 8985.813       673.5870 9328.656       336.8729 551.4029 20.86693 563.5929 10.19178 -12.19000      23.22286 
1 1 1 -8  10 19 o 226.5305 6.845597 1507.354       90.84266 1317.390       268.2994 1531.951       96.54508 209.9529 22.12158 228.3514 7.218082 -18.39848      23.26940 
1 1 1 -8  10 20 o 95.69350 14.36396 275.5298       78.12702 243.2803       217.1084 280.3272       83.73660 94.24078 32.44377 96.38088 15.32669 -2.140106      35.88183 
1 1 1 -8  10 21 o 643.8583 10.18473 12184.51       384.5833 11520.10       818.9009 12372.51       435.6100 622.8898 22.45333 648.6082 11.45156 -25.71838      25.20497 
1 1 1 -8  10 22 o 323.9236 6.684274 3080.367       126.9835 3041.373       312.0789 3088.104       139.0115 320.4899 16.66070 324.2939 7.309061 -3.803986      18.19344 
1 1 1 -8  10 23 o 208.7635 6.418137 1280.756       78.48704 1171.441       224.5982 1295.963       83.76838 197.8138 19.61790 209.9719 6.811511 -12.15813      20.76677 
1 1 1 -8  10 24 o 622.9189 9.867990 11415.98       360.5045 10768.18       771.4022 11597.00       407.7739 600.7305 21.93210 627.5695 11.07917 -26.83899      24.57163 
1 1 1 -8  10 25 o 255.4572 6.529884 1917.971       97.75030 1795.298       252.7735 1939.542       105.9967 245.3666 17.68434 256.8433 7.043425 -11.47675      19.03538 
1 1 1 -8  10 26 o 409.6831 8.452059 4936.468       203.0771 4398.709       388.0654 5139.271       238.3130 384.5387 17.25129 417.8115 9.725610 -33.27280      19.80390 
1 1 1 -8  10 27 f 426.4362 11.42425 5368.669       285.4572 0.000000       0.000000 5368.669       285.4572 ?        ?        426.4362 11.42425 0.000000       11.42425 
1 1 1 -8  10 28 o 277.2824 8.634922 2265.110       140.2496 0.000000       0.000000 2265.110       140.2496 ?        ?        277.2824 8.634922 0.000000       8.634922 
1 1 1 -8  10 29 o 230.9727 9.323166 1573.932       126.0321 0.000000       0.000000 1573.932       126.0321 ?        ?        230.9727 9.323166 0.000000       9.323166 
1 1 1 -8  10 30 o 340.7219 7.094163 3413.129       141.7594 4108.029       366.8987 3291.188       153.6948 371.1828 16.89851 334.4844 7.834889 36.69836       18.62646 
1 1 1 -8  10 31 o 338.8720 7.310601 3376.621       145.2912 3238.028       358.2821 3403.898       158.9471 328.8746 18.65212 340.1506 7.967661 -11.27594      20.28263 
1 1 1 -8  10 32 o 310.8618 7.382495 2841.850       134.5926 2718.259       336.7414 2865.348       146.8309 300.9858 19.17628 311.9601 8.032106 -10.97427      20.79049 
1 1 1 -8  10 33 o 49.57007 18.59467 55.41436       73.11797 619.8574       241.2981 -1.653153      76.72526 139.3359 30.38643 41.44951 17.73846 97.88643       35.18506 
1 1 1 -8  10 34 o 363.9880 6.903055 3896.844       147.3597 3879.883       206.6060 3914.406       210.2377 362.5262 9.726255 364.1043 9.854481 -1.578156      13.84597 
1 1 1 -8  10 35 o 80.60284 16.91855 201.4692       77.42400 136.1446       107.4718 271.9529       111.6350 68.40703 22.83325 93.06924 20.95819 -24.66221      30.99359 
1 1 1 -8  10 36 o 226.0138 7.597634 1506.679       100.5648 1464.894       137.2732 1555.082       147.7436 222.2513 10.56174 228.8883 11.03867 -6.637024      15.27752 
1 1 1 -8  10 37 o 282.1345 7.007549 2344.418       115.9506 2205.636       154.8163 2521.720       174.9880 272.9466 9.686739 291.7103 10.24426 -18.76373      14.09886 
1 1 1 -8  10 38 f 277.1793 10.62037 2281.932       172.3243 0.000000       0.000000 2281.932       172.3243 ?        ?        277.1793 10.62037 0.000000       10.62037 
1 1 1 -8  10 39 o 136.8060 11.43237 561.0569       90.88802 699.7516       131.8374 435.4379       125.4691 151.7719 15.00767 118.1469 18.73193 33.62506       24.00241 
1 1 1 -8  10 40 f 269.0224 7.323741 2140.738       115.4430 2204.525       163.4108 2077.184       163.1118 271.8782 10.26685 263.7672 10.56559 8.110962       14.73227 
1 1 1 -8  10 41 o 115.3807 14.78245 411.2619       97.73499 323.8811       157.9035 465.5269       124.4354 97.30375 26.81322 121.4630 18.01326 -24.15926      32.30211 
1 1 1 -8  10 42 f 89.74673 17.67474 258.2720       89.71797 357.2446       134.5132 178.9586       120.4150 103.4556 22.78662 73.99277 24.14652 29.46279       33.20067 
1 1 1 -8  10 43 o 100.3790 16.79582 320.6804       95.38639 177.2886       136.9940 455.6157       132.8929 73.87215 25.75396 118.3973 19.83983 -44.52517      32.50977 
1 1 1 -8  10 44 o 182.6797 9.599727 1003.947       102.4879 864.9222       143.1373 1150.203       146.8122 166.6420 14.79972 193.5708 13.00770 -26.92879      19.70360 
1 1 1 -8  10 45 o 33.08310 15.97004 -128.7410      93.26684 43.05270       129.1995 -315.6834      134.7756 54.99208 23.25655 33.73408 16.82814 21.25800       28.70633 
1 1 1 -8  10 46 o 90.58952 19.36808 275.5568       99.78214 213.9746       137.0380 345.0508       145.5751 77.43148 25.78198 97.70018 25.23120 -20.26870      36.07386 
1 1 1 -8  10 47 o 139.6355 13.49069 610.4100       109.1051 646.5591       151.4408 571.3981       157.3230 139.6461 18.98211 129.1244 21.53248 10.52171       28.70485 
1 1 1 -8  10 48 o 46.60643 20.64506 -2.801980      111.8098 -20.77808      164.7879 12.53395       152.2063 53.37888 24.23281 54.22464 24.05004 -0.8457680     34.14137 
1 1 1 -8  10 49 o 45.34081 20.83501 -45.50737      126.7218 175.5953       199.2456 -195.6976      164.2149 72.17998 29.55928 43.04107 20.87594 29.13890       36.18779 
1 1 1 -8  10 50 o 136.6276 17.50105 618.2811       137.0180 687.8340       217.8059 572.7288       176.2656 132.0453 28.92700 124.4136 25.02534 7.631737       38.24969 
1 1 1 -8  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 2  o 398.1248 10.66823 4657.532       248.8688 4641.914       348.3034 4673.823       355.7212 397.0580 14.98419 398.3931 15.25283 -1.335083      21.38165 
1 1 1 -8  11 3  o 1028.650 23.73499 31231.27       1431.882 30280.32       1973.648 32288.04       2080.553 1009.130 33.39415 1041.777 34.09880 -32.64679      47.72732 
1 1 1 -8  11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 5  o 391.3587 9.008457 4495.212       206.7645 4456.406       338.1807 4518.378       261.2906 389.0931 14.84713 392.0999 11.37459 -3.006775      18.70344 
1 1 1 -8  11 6  o 728.8349 14.20739 15609.57       607.2869 15944.44       1056.975 15444.56       741.9799 734.6768 24.56569 724.5844 17.46034 10.09247       30.13862 
1 1 1 -8  11 7  o 402.6739 9.309442 4758.897       219.8506 4977.452       368.2848 4637.893       274.0348 411.2295 15.29701 397.2439 11.77545 13.98563       19.30440 
1 1 1 -8  11 8  o 173.8472 7.737978 888.5282       78.69661 940.4379       114.1916 841.5726       108.6060 178.6429 10.95192 168.9492 11.02108 9.693634       15.53734 
1 1 1 -8  11 9  o 501.9786 8.391854 7394.223       247.0550 6737.340       541.9900 7566.508       277.5689 478.0574 19.37140 507.7518 9.321137 -29.69437      21.49732 
1 1 1 -8  11 10 o 526.7408 8.699436 8142.250       268.7439 8647.351       650.8337 8038.425       295.0746 541.5103 20.53053 523.3277 9.614075 18.18262       22.67009 
1 1 1 -8  11 11 o 661.7813 10.40116 12856.83       403.6889 12268.03       889.8635 13009.41       452.9832 644.5406 23.58062 665.6057 11.60418 -21.06506      26.28123 
1 1 1 -8  11 12 o 306.0661 9.565963 2752.313       171.4987 2287.882       366.4714 2882.543       194.0595 277.6486 22.70386 313.1636 10.58126 -35.51501      25.04852 
1 1 1 -8  11 13 o 983.9777 14.47867 28457.78       835.5349 31404.97       2045.986 27867.90       915.3406 1027.764 33.99041 973.4705 16.03280 54.29370       37.58189 
1 1 1 -8  11 14 o 893.7278 17.04367 23501.61       893.3446 0.000000       0.000000 23501.61       893.3446 ?        ?        893.7278 17.04367 0.000000       17.04367 
1 1 1 -8  11 15 o 1020.767 15.11853 30640.89       905.0796 34501.86       2223.942 29874.48       990.8461 1075.887 35.29346 1007.594 16.76758 68.29364       39.07404 
1 1 1 -8  11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 17 o 618.8482 10.95731 11249.58       397.6846 0.000000       0.000000 11249.58       397.6846 ?        ?        618.8482 10.95731 0.000000       10.95731 
1 1 1 -8  11 18 o 427.2214 7.741436 5357.357       193.9658 5112.362       460.6682 5410.150       213.8457 415.9058 18.93580 429.2786 8.493971 -13.37283      20.75360 
1 1 1 -8  11 19 o 549.9845 9.018023 8883.493       290.8790 8313.026       639.0165 9032.590       326.6870 529.9416 20.59973 554.4788 10.04607 -24.53723      22.91882 
1 1 1 -8  11 20 o 59.19865 16.62630 106.1881       60.08821 138.4361       214.1107 103.4312       62.60409 82.24546 31.59161 58.67645 17.13029 23.56901       35.93711 
1 1 1 -8  11 21 o 340.9664 6.837019 3412.991       136.7190 3337.322       342.8696 3427.298       149.0841 335.6724 17.47677 341.6447 7.440568 -5.972321      18.99473 
1 1 1 -8  11 22 o 438.9870 7.677629 5660.267       197.6648 5445.721       458.6523 5709.204       219.0515 428.5681 18.28997 440.8018 8.473293 -12.23380      20.15738 
1 1 1 -8  11 23 o 397.3405 7.265239 4637.427       169.3024 4324.116       391.7996 4709.361       187.7345 381.7443 17.54705 400.3392 7.995863 -18.59494      19.28296 
1 1 1 -8  11 24 o 196.1622 6.900807 1131.702       79.26633 961.4294       224.3947 1155.978       84.72873 178.2618 21.92497 198.2231 7.300768 -19.96124      23.10856 
1 1 1 -8  11 25 o 308.9295 9.419863 2811.100       170.4695 2497.098       301.3673 2958.841       206.7192 289.4506 17.83965 316.6720 11.14804 -27.22141      21.03645 
1 1 1 -8  11 26 o 280.1802 8.212935 2310.755       134.8085 2104.541       276.7676 2374.897       154.3568 265.4570 17.88182 283.8963 9.283249 -18.43927      20.14791 
1 1 1 -8  11 27 o 167.4781 7.356825 826.2330       72.08389 1299.583       237.8566 778.3625       75.64108 207.6813 19.76650 162.4801 7.962173 45.20117       21.30987 
1 1 1 -8  11 28 o 472.3470 8.833536 6568.572       244.7069 0.000000       0.000000 6568.572       244.7069 ?        ?        472.3470 8.833536 0.000000       8.833536 
1 1 1 -8  11 29 o 436.9036 8.654696 5619.325       221.7624 0.000000       0.000000 5619.325       221.7624 ?        ?        436.9036 8.654696 0.000000       8.654696 
1 1 1 -8  11 30 o 178.6533 8.266959 941.2174       86.38301 650.6943       256.4499 978.3996       91.74444 142.8231 31.46707 182.1120 8.614369 -39.28885      32.62490 
1 1 1 -8  11 31 o 180.4944 8.721406 961.2617       92.04781 1242.019       286.5190 928.9499       97.20039 201.2812 24.79514 177.3410 9.378969 23.94012       26.50970 
1 1 1 -8  11 32 o 60.12904 22.27584 86.32814       104.2943 0.000000       0.000000 86.32814       104.2943 ?        ?        60.12904 22.27584 0.000000       22.27584 
1 1 1 -8  11 33 o 117.2794 11.36463 410.1619       77.18919 534.7584       260.1543 398.1343       80.82899 128.3509 34.01737 115.3969 12.12412 12.95402       36.11337 
1 1 1 -8  11 34 o 268.9542 6.986098 2129.506       110.1021 1991.016       151.3513 2285.175       160.4638 259.5263 9.962339 278.0869 9.854468 -18.56055      14.01281 
1 1 1 -8  11 35 o 155.5331 9.133084 716.3155       82.94217 647.1325       113.7298 794.9172       121.2245 146.9741 13.33933 163.1459 12.77134 -16.17184      18.46740 
1 1 1 -8  11 36 o 297.4624 6.986716 2605.414       121.8865 2490.667       165.3448 2741.981       180.3824 290.1184 9.731500 304.3078 10.12128 -14.18939      14.04074 
1 1 1 -8  11 37 o 92.18818 18.19029 265.0674       94.85384 238.8966       108.4346 350.3558       195.7514 86.78029 21.43382 103.6161 30.30263 -16.83579      37.11681 
1 1 1 -8  11 38 o 200.7204 8.362580 1192.265       98.22678 1139.890       136.5063 1248.504       141.4531 195.3197 11.97425 204.4848 11.84579 -9.165176      16.84356 
1 1 1 -8  11 39 o 114.4762 13.08001 397.4565       86.24171 408.7048       122.9822 386.5732       120.9710 114.1027 19.04901 110.8038 19.31750 3.298889       27.12988 
1 1 1 -8  11 40 o 234.4969 7.661487 1629.141       105.2246 1791.413       146.9626 1458.444       150.7291 244.9324 10.25349 220.3485 11.70570 24.58383       15.56141 
1 1 1 -8  11 41 o 169.7019 9.839833 862.3434       97.51208 780.5526       138.6627 942.3658       137.1554 159.2395 15.02531 175.9093 13.39528 -16.66982      20.12942 
1 1 1 -8  11 42 o 192.7518 9.104580 1110.502       102.6312 1006.246       142.9196 1221.507       147.4725 181.3892 13.53227 200.4680 12.60724 -19.07881      18.49500 
1 1 1 -8  11 43 o 77.20271 20.73373 198.7547       95.85387 309.7825       135.9315 88.93947       135.1872 94.78997 24.33041 61.72161 24.67974 33.06836       34.65629 
1 1 1 -8  11 44 o 118.7145 14.34980 440.6256       97.88305 439.5409       141.7975 441.6130       135.2870 114.1037 21.98667 115.1560 20.79691 -1.052277      30.26426 
1 1 1 -8  11 45 o 76.07083 20.97442 197.2935       96.58993 106.8350       140.5517 278.2460       132.9616 63.41871 25.22875 88.41978 24.69594 -25.00107      35.30410 
1 1 1 -8  11 46 o 34.69107 16.62169 -114.2099      96.75611 -208.7428      135.4817 -15.80672      138.2273 37.90473 18.51321 50.37994 22.59237 -12.47521      29.20880 
1 1 1 -8  11 47 o 110.3370 17.68811 401.0104       110.5940 465.7353       160.2082 342.0887       152.8576 113.4544 24.77355 95.46369 26.41054 17.99067       36.21112 
1 1 1 -8  11 48 o 74.11127 23.03150 196.7968       110.6399 265.7714       168.9692 145.0270       146.3864 82.64706 28.61413 66.93649 26.01115 15.71057       38.66973 
1 1 1 -8  11 49 f 148.8164 15.00783 709.4788       129.1969 642.4624       195.8428 761.1172       171.9113 130.7668 26.44624 149.4116 20.13037 -18.64476      33.23605 
1 1 1 -8  11 50 o 149.5943 16.37332 731.4041       141.3053 575.1365       221.7959 838.1650       183.3265 116.2855 31.67195 155.8761 20.55414 -39.59060      37.75692 
1 1 1 -8  12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 2  o 627.1666 15.11240 11561.45       555.8619 11342.39       773.4857 11795.42       799.3679 620.1153 21.29975 632.3428 21.58643 -12.22748      30.32579 
1 1 1 -8  12 3  o 878.9463 20.44619 22751.09       1053.963 23209.45       1512.726 22318.69       1469.280 885.3344 29.17400 868.2412 28.89476 17.09314       41.06128 
1 1 1 -8  12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 5  o 722.0214 14.12876 15317.16       598.2800 15340.04       1022.597 15305.26       737.7152 720.7829 24.22519 721.3685 17.43737 -0.5855713     29.84831 
1 1 1 -8  12 6  o 608.2939 15.11701 10874.93       539.2994 0.000000       0.000000 10874.93       539.2994 ?        ?        608.2939 15.11701 0.000000       15.11701 
1 1 1 -8  12 7  o 712.2001 12.41182 14896.45       518.4276 0.000000       0.000000 14896.45       518.4276 ?        ?        712.2001 12.41182 0.000000       12.41182 
1 1 1 -8  12 8  o 658.6801 11.61873 12739.53       448.8320 0.000000       0.000000 12739.53       448.8320 ?        ?        658.6801 11.61873 0.000000       11.61873 
1 1 1 -8  12 9  o 328.5863 7.503055 3167.871       144.5900 0.000000       0.000000 3167.871       144.5900 ?        ?        328.5863 7.503055 0.000000       7.503055 
1 1 1 -8  12 10 o 620.1292 10.03374 11288.62       364.9181 10784.05       798.5959 11421.77       410.2543 604.4122 22.56872 623.6943 11.21581 -19.28217      25.20201 
1 1 1 -8  12 11 o 826.1018 12.78529 20047.11       619.4334 20762.56       1414.071 19877.23       689.0627 837.2273 28.84207 822.4144 14.28623 14.81287       32.18636 
1 1 1 -8  12 12 f 517.4042 8.897957 7857.135       270.0044 7239.654       641.5159 7990.066       297.6520 495.0351 22.15249 521.7177 9.727982 -26.68259      24.19434 
1 1 1 -8  12 13 o 921.9653 15.16856 24992.80       820.1805 27540.16       1825.244 24348.31       918.0914 962.7121 32.37369 909.6502 17.20921 53.06189       36.66351 
1 1 1 -8  12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 16 o 465.9419 12.44393 6384.738       339.7432 0.000000       0.000000 6384.738       339.7432 ?        ?        465.9419 12.44393 0.000000       12.44393 
1 1 1 -8  12 17 o 315.4831 7.437240 2921.153       137.6063 0.000000       0.000000 2921.153       137.6063 ?        ?        315.4831 7.437240 0.000000       7.437240 
1 1 1 -8  12 18 o 645.7381 10.29823 12250.93       390.0043 11901.10       851.7487 12343.73       438.6948 633.6346 22.95834 648.0196 11.54314 -14.38495      25.69688 
1 1 1 -8  12 19 o 463.6686 10.33249 6318.149       280.9721 6190.874       522.0277 6370.057       333.3807 457.2836 19.50997 465.2057 12.22987 -7.922028      23.02626 
1 1 1 -8  12 20 f 166.5207 7.605287 815.9111       74.07751 1175.754       264.7655 785.3504       77.15904 197.6832 23.28315 163.3290 8.080223 34.35422       24.64539 
1 1 1 -8  12 21 o 371.9055 7.062676 4061.263       154.0467 3910.419       379.5377 4091.013       168.5548 363.2083 17.87246 373.2185 7.700651 -10.01016      19.46085 
1 1 1 -8  12 22 o 228.0551 6.800650 1528.601       90.85632 1194.381       249.8841 1579.516       97.53162 199.2652 21.73432 231.7951 7.183155 -32.52985      22.89057 
1 1 1 -8  12 23 o 119.4170 9.216726 421.8686       64.05041 27.93890       239.5332 452.2040       66.47084 75.16743 31.72138 123.6586 9.232126 -48.49121      33.03753 
1 1 1 -8  12 24 o 312.7398 6.662381 2872.938       122.1977 2729.125       321.3792 2897.244       132.1210 302.6300 18.19135 314.0174 7.174106 -11.38736      19.55487 
1 1 1 -8  12 25 o 127.2993 10.38196 480.4800       76.83715 903.5499       233.2152 428.9638       81.38094 171.9994 23.75296 120.0424 11.70809 51.95699       26.48174 
1 1 1 -8  12 26 o 269.2541 9.263255 2136.921       146.0593 0.000000       0.000000 2136.921       146.0593 ?        ?        269.2541 9.263255 0.000000       9.263255 
1 1 1 -8  12 27 f 211.5408 7.432600 1317.441       92.06831 0.000000       0.000000 1317.441       92.06831 ?        ?        211.5408 7.432600 0.000000       7.432600 
1 1 1 -8  12 28 o 317.8703 9.963696 2981.012       185.5172 0.000000       0.000000 2981.012       185.5172 ?        ?        317.8703 9.963696 0.000000       9.963696 
1 1 1 -8  12 29 o 77.19653 15.96529 183.4144       69.89371 808.9008       279.9206 141.8251       72.17999 159.7678 30.99258 67.77440 17.89747 91.99338       35.78910 
1 1 1 -8  12 30 o 207.1458 8.053031 1264.346       97.64675 1262.932       311.0544 1264.501       102.8457 202.2411 26.89083 207.1036 8.485330 -4.862549      28.19783 
1 1 1 -8  12 31 o 178.0977 11.23531 939.9079       116.7549 909.8766       304.2261 945.0950       126.4366 169.3452 31.79929 178.4329 12.15481 -9.087769      34.04313 
1 1 1 -8  12 32 o 295.7764 7.413770 2574.859       128.5022 2407.855       324.1956 2605.988       139.9670 282.8656 19.66477 297.4652 8.030384 -14.59964      21.24124 
1 1 1 -8  12 33 o 161.4770 9.015661 770.8547       85.04152 776.1685       260.9541 770.2233       89.95211 156.2706 29.55559 161.3312 9.549701 -5.060516      31.06009 
1 1 1 -8  12 34 o 109.3299 12.13138 358.3715       76.47791 732.2102       257.4903 322.2020       80.09219 150.9462 30.14220 103.3051 13.54560 47.64108       33.04596 
1 1 1 -8  12 35 o 159.3293 8.878983 751.3796       82.63961 751.2626       110.8955 751.5258       123.9276 158.7117 12.00289 158.3978 13.46797 0.3138428      18.04038 
1 1 1 -8  12 36 o 163.2519 8.863970 789.1471       84.54831 681.9581       114.1630 919.3528       125.8245 150.8475 13.03205 175.4934 12.30309 -24.64586      17.92206 
1 1 1 -8  12 37 o 288.2093 7.295014 2449.930       123.2070 2310.544       168.2236 2611.210       180.9542 279.0828 10.29552 296.6685 10.41648 -17.58569      14.64585 
1 1 1 -8  12 38 o 149.0863 10.44662 662.9369       90.76257 486.7841       125.8769 853.6942       130.9911 125.5814 17.57137 168.4286 13.37062 -42.84715      22.08001 
1 1 1 -8  12 39 o 109.8883 13.07914 367.2354       82.63886 394.4305       122.3083 344.3919       112.0963 111.7293 19.36694 104.3721 19.01315 7.357277       27.13998 
1 1 1 -8  12 40 o 134.2847 11.26762 543.6439       87.92034 503.3790       126.3779 581.4103       122.3941 126.7974 17.45741 137.3011 15.46861 -10.50373      23.32464 
1 1 1 -8  12 41 f 71.55809 20.03263 166.8669       87.38079 182.3794       130.1752 154.1448       117.8868 75.02684 25.13109 69.99548 23.91307 5.031364       34.69016 
1 1 1 -8  12 42 o 142.7286 11.52266 617.8488       95.63347 691.7455       140.6982 554.3910       130.3824 148.6481 16.41201 132.5135 17.18081 16.13454       23.75993 
1 1 1 -8  12 43 o 170.9875 10.05063 880.8902       100.3434 756.2085       137.2962 1023.850       147.0159 155.6963 15.23048 182.2515 13.85833 -26.55516      20.59177 
1 1 1 -8  12 44 o 120.7417 13.50528 452.9720       93.99746 464.4457       133.9211 441.8309       131.9654 118.5704 19.96721 115.4232 20.23185 3.147148       28.42564 
1 1 1 -8  12 45 o 195.5547 9.615039 1153.954       109.9350 1237.240       163.0460 1084.527       148.8634 199.3894 14.03266 186.8979 13.67570 12.49153       19.59440 
1 1 1 -8  12 46 o 173.2939 11.15406 918.6939       112.7598 940.9315       167.0702 900.0894       152.8146 170.9535 16.88387 168.2048 15.67118 2.748672       23.03586 
1 1 1 -8  12 47 o 52.15342 21.59115 53.02983       107.8338 -69.03551      164.7028 144.6100       142.6611 50.24031 23.32097 66.98789 25.77274 -16.74758      34.75776 
1 1 1 -8  12 48 o 184.0342 11.15115 1041.202       119.7915 1027.345       178.9482 1052.454       161.2521 177.0618 17.45959 181.4199 15.29790 -4.358109      23.21342 
1 1 1 -8  12 49 o 99.61447 24.98878 370.9165       145.7215 179.4392       290.0411 435.5695       168.5371 75.75053 33.41672 106.2639 26.99456 -30.51334      42.95792 
1 1 1 -8  13 1  o 849.5518 19.82888 21245.70       987.9583 20112.35       1336.390 22611.60       1467.109 824.6304 27.67190 874.1538 28.65572 -49.52344      39.83572 
1 1 1 -8  13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  13 3  o 367.2226 14.50545 3968.689       311.7856 0.000000       0.000000 3968.689       311.7856 ?        ?        367.2226 14.50545 0.000000       14.50545 
1 1 1 -8  13 4  o 1168.502 22.57055 40238.64       1546.757 0.000000       0.000000 40238.64       1546.757 ?        ?        1168.502 22.57055 0.000000       22.57055 
1 1 1 -8  13 5  o 670.7410 11.54953 13209.97       454.3284 0.000000       0.000000 13209.97       454.3284 ?        ?        670.7410 11.54953 0.000000       11.54953 
1 1 1 -8  13 6  o 1065.374 17.98625 33390.64       1123.811 0.000000       0.000000 33390.64       1123.811 ?        ?        1065.374 17.98625 0.000000       17.98625 
1 1 1 -8  13 7  o 632.1207 11.22190 11732.05       416.0226 0.000000       0.000000 11732.05       416.0226 ?        ?        632.1207 11.22190 0.000000       11.22190 
1 1 1 -8  13 8  o 519.0851 9.613477 7908.845       292.6642 0.000000       0.000000 7908.845       292.6642 ?        ?        519.0851 9.613477 0.000000       9.613477 
1 1 1 -8  13 9  o 606.5178 11.02610 10801.10       392.2077 0.000000       0.000000 10801.10       392.2077 ?        ?        606.5178 11.02610 0.000000       11.02610 
1 1 1 -8  13 10 o 296.8977 7.652356 2588.213       133.1344 0.000000       0.000000 2588.213       133.1344 ?        ?        296.8977 7.652356 0.000000       7.652356 
1 1 1 -8  13 11 o 407.3604 8.022301 4869.605       191.6586 4251.460       507.8715 4972.256       206.9613 378.9570 22.95914 411.6102 8.573386 -32.65320      24.50765 
1 1 1 -8  13 12 o 413.5595 8.897654 5019.991       215.8063 4925.420       533.6597 5038.480       235.9604 408.0272 22.38680 414.2834 9.711606 -6.256134      24.40254 
1 1 1 -8  13 13 o 793.7360 19.12000 18558.76       890.0504 20435.18       1380.113 17222.63       1164.595 830.1595 28.38846 762.7097 26.07380 67.44983       38.54540 
1 1 1 -8  13 14 o 275.7914 7.362115 2233.589       118.9722 2755.679       404.9652 2184.271       124.4645 304.6633 22.83060 272.7039 7.790206 31.95932       24.12309 
1 1 1 -8  13 15 o 272.0751 7.154358 2173.764       114.0599 2826.375       373.4346 2106.618       119.7840 308.8373 20.73762 267.8105 7.634213 41.02686       22.09819 
1 1 1 -8  13 16 f 435.9479 8.633534 5579.562       220.7363 0.000000       0.000000 5579.562       220.7363 ?        ?        435.9479 8.633534 0.000000       8.633534 
1 1 1 -8  13 17 o 573.0844 10.24028 9648.763       344.1761 0.000000       0.000000 9648.763       344.1761 ?        ?        573.0844 10.24028 0.000000       10.24028 
1 1 1 -8  13 18 o 384.2794 8.666163 4336.838       195.3100 4422.132       431.4588 4314.855       219.0369 386.4526 19.09588 383.1033 9.756735 3.349304       21.44403 
1 1 1 -8  13 19 o 274.2142 6.909123 2208.748       111.0241 2328.306       337.4036 2194.230       117.5716 279.6749 20.71766 273.2806 7.342376 6.394257       21.98026 
1 1 1 -8  13 20 o 251.7682 6.687415 1862.202       98.65633 1678.804       304.5871 1883.698       104.2779 236.7787 22.19266 253.1937 7.029253 -16.41496      23.27928 
1 1 1 -8  13 21 o 355.8184 6.978791 3717.890       145.6328 3555.626       378.8038 3746.033       157.7573 345.9485 18.74031 357.1206 7.532240 -11.17206      20.19737 
1 1 1 -8  13 22 o 288.2115 6.671071 2439.412       112.7606 2457.414       335.7065 2437.123       119.7160 286.8981 20.07853 288.0490 7.086557 -1.150879      21.29240 
1 1 1 -8  13 23 o 499.9636 8.386332 7349.058       245.9013 7186.475       575.4716 7385.375       271.9823 491.0104 20.02603 501.0549 9.255604 -10.04449      22.06146 
1 1 1 -8  13 24 o 199.5106 8.687077 1173.011       101.4024 988.9461       245.0567 1211.038       111.3857 180.1344 23.77635 202.6407 9.398026 -22.50623      25.56634 
1 1 1 -8  13 25 o 433.6276 11.58935 5550.958       294.4672 0.000000       0.000000 5550.958       294.4672 ?        ?        433.6276 11.58935 0.000000       11.58935 
1 1 1 -8  13 26 o 288.2377 6.847259 2441.820       115.7492 2450.843       334.3661 2440.591       123.3777 285.6402 20.08771 288.0274 7.309763 -2.387146      21.37636 
1 1 1 -8  13 27 o 192.6173 7.759748 1093.069       87.47895 0.000000       0.000000 1093.069       87.47895 ?        ?        192.6173 7.759748 0.000000       7.759748 
1 1 1 -8  13 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  13 29 o 359.4047 9.651412 3808.735       203.2506 0.000000       0.000000 3808.735       203.2506 ?        ?        359.4047 9.651412 0.000000       9.651412 
1 1 1 -8  13 30 o 188.4365 8.986712 1047.907       99.02913 0.000000       0.000000 1047.907       99.02913 ?        ?        188.4365 8.986712 0.000000       8.986712 
1 1 1 -8  13 31 o 189.2791 8.289025 1056.444       91.79145 1172.599       325.2725 1046.394       95.68028 193.5762 29.58944 188.3234 8.686383 5.252792       30.83809 
1 1 1 -8  13 32 o 185.8363 8.181372 1018.656       88.94910 667.0831       289.9780 1055.172       93.45435 143.1086 34.87404 189.1081 8.447664 -45.99950      35.88261 
1 1 1 -8  13 33 o 200.8384 7.909171 1189.484       92.97758 1610.407       313.8943 1149.001       97.34610 229.0717 23.70700 197.3096 8.431838 31.76205       25.16183 
1 1 1 -8  13 34 o 346.8916 7.489736 3543.646       152.3740 3344.106       384.9372 3580.722       165.9271 332.2380 19.84605 348.5729 8.116580 -16.33493      21.44165 
1 1 1 -8  13 35 o 90.16727 18.96417 254.1473       97.09982 487.1397       264.3239 217.8008       104.3992 121.0041 35.16269 83.06731 21.32302 37.93679       41.12281 
1 1 1 -8  13 36 o 170.9149 8.555873 864.4025       85.48927 712.9559       114.9599 1051.768       127.8677 154.2735 12.82166 187.8834 11.66187 -33.60997      17.33188 
1 1 1 -8  13 37 o 285.6489 7.162377 2406.881       119.8940 2307.121       163.5758 2522.692       176.2435 278.8752 10.01762 291.5251 10.32459 -12.64993      14.38576 
1 1 1 -8  13 38 o 162.0686 9.577632 781.4561       90.62891 843.1312       130.1603 723.4164       126.2657 167.2502 13.38124 154.6169 14.07869 12.63332       19.42336 
1 1 1 -8  13 39 o 57.08801 19.65719 94.52888       79.70102 110.5854       118.8605 81.41152       107.4324 64.15201 23.77793 58.44588 22.39618 5.706131       32.66464 
1 1 1 -8  13 40 o 264.4536 9.731438 2088.224       150.6731 2033.183       188.2677 2186.286       251.2968 259.4919 12.40685 266.4723 16.15585 -6.980408      20.37011 
1 1 1 -8  13 41 o 117.6469 14.65174 428.9799       98.90816 301.5828       160.1817 507.4855       125.7429 93.05014 27.46549 126.8010 17.36434 -33.75082      32.49421 
1 1 1 -8  13 42 o 201.3880 9.431087 1215.205       111.0805 1146.377       164.5074 1272.884       150.5960 192.7054 14.66612 204.4202 12.62300 -11.71487      19.35033 
1 1 1 -8  13 43 o 108.9014 15.02076 373.1022       93.38244 279.5740       131.1761 469.2023       132.9675 89.51673 24.34713 119.7038 19.61939 -30.18702      31.26825 
1 1 1 -8  13 44 o 48.14166 19.87864 37.19356       91.08382 104.1243       130.2539 -26.85337      127.4169 62.25516 24.43593 48.05483 21.60878 14.20033       32.61984 
1 1 1 -8  13 45 o 87.13320 19.35944 255.1966       96.36015 151.4219       139.0973 350.9533       133.6156 68.56657 25.66217 100.0373 23.22213 -31.47070      34.60945 
1 1 1 -8  13 46 o 55.92847 21.71314 85.24371       101.9325 -72.46371      149.4278 222.4991       139.4024 47.82997 22.20593 78.11368 26.00329 -30.28371      34.19466 
1 1 1 -8  13 47 o 58.00143 22.16284 99.05244       105.0079 -112.0117      148.2564 311.5300       148.7520 44.94111 21.25836 90.79501 26.37646 -45.85390      33.87677 
1 1 1 -8  13 48 o 64.37034 23.47480 139.7109       115.0856 100.9919       170.8939 171.8425       155.6792 63.54861 26.80461 70.18962 26.94394 -6.641010      38.00609 
1 1 1 -8  13 49 o 74.96060 24.01990 207.0450       119.4902 160.2107       169.3608 253.4656       168.6111 69.09253 27.62472 80.13269 28.51737 -11.04016      39.70347 
1 1 1 -8  14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 3  o 738.4665 14.43078 16024.63       624.9870 0.000000       0.000000 16024.63       624.9870 ?        ?        738.4665 14.43078 0.000000       14.43078 
1 1 1 -8  14 4  o 605.5272 12.52872 10769.06       444.9293 0.000000       0.000000 10769.06       444.9293 ?        ?        605.5272 12.52872 0.000000       12.52872 
1 1 1 -8  14 5  o 717.4113 14.40416 15124.49       606.0474 0.000000       0.000000 15124.49       606.0474 ?        ?        717.4113 14.40416 0.000000       14.40416 
1 1 1 -8  14 6  o 155.8568 8.036203 714.6854       73.20796 0.000000       0.000000 714.6854       73.20796 ?        ?        155.8568 8.036203 0.000000       8.036203 
1 1 1 -8  14 7  o 603.1413 11.04299 10681.25       390.6217 0.000000       0.000000 10681.25       390.6217 ?        ?        603.1413 11.04299 0.000000       11.04299 
1 1 1 -8  14 8  o 222.7312 7.699081 1457.406       100.4193 0.000000       0.000000 1457.406       100.4193 ?        ?        222.7312 7.699081 0.000000       7.699081 
1 1 1 -8  14 9  o 289.0185 7.803649 2452.920       132.1528 0.000000       0.000000 2452.920       132.1528 ?        ?        289.0185 7.803649 0.000000       7.803649 
1 1 1 -8  14 10 o 227.4714 8.191702 1520.451       109.1042 0.000000       0.000000 1520.451       109.1042 ?        ?        227.4714 8.191702 0.000000       8.191702 
1 1 1 -8  14 11 o 479.3050 9.262104 6743.646       260.3587 0.000000       0.000000 6743.646       260.3587 ?        ?        479.3050 9.262104 0.000000       9.262104 
1 1 1 -8  14 12 f 330.5461 9.324003 3210.025       180.5722 0.000000       0.000000 3210.025       180.5722 ?        ?        330.5461 9.324003 0.000000       9.324003 
1 1 1 -8  14 13 o 493.9365 8.764462 7161.623       253.8908 6502.607       596.5838 7307.378       280.5660 468.9202 21.75239 498.8868 9.589203 -29.96661      23.77224 
1 1 1 -8  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  14 15 o 508.3142 10.78896 7590.832       321.6343 0.000000       0.000000 7590.832       321.6343 ?        ?        508.3142 10.78896 0.000000       10.78896 
1 1 1 -8  14 16 o 455.9666 8.095382 6103.746       216.4816 7649.257       589.1846 5862.535       232.7626 508.5805 19.79115 446.8128 8.882539 61.76767       21.69307 
1 1 1 -8  14 17 o 827.6132 12.63744 20149.62       613.3904 21976.15       1463.489 19760.38       675.5945 857.9448 29.12794 819.2687 14.06077 38.67603       32.34412 
1 1 1 -8  14 18 o 376.7556 9.551714 4173.567       210.8828 4282.600       432.4819 4139.556       241.5442 380.0566 19.46787 375.0529 10.99316 5.003723       22.35727 
1 1 1 -8  14 19 o 513.3671 8.572753 7742.509       258.1065 7794.800       604.5353 7730.852       285.4292 512.5715 20.14947 512.8735 9.489373 -0.3020020     22.27216 
1 1 1 -8  14 20 o 116.5915 9.657582 402.3960       65.44484 295.3762       263.0515 409.4572       67.56941 103.0141 35.70049 117.5903 9.889338 -14.57621      37.04489 
1 1 1 -8  14 21 o 458.1924 8.005072 6169.022       215.1115 6337.356       544.5078 6137.892       234.1588 461.4317 20.16957 456.9444 8.737688 4.487305       21.98087 
1 1 1 -8  14 22 o 549.3693 8.915099 8875.576       287.2375 9152.113       699.1117 8819.415       315.0576 553.6224 21.57319 547.4625 9.812623 6.159973       23.70000 
1 1 1 -8  14 23 o 64.45229 16.13927 127.8631       60.86428 37.26047       278.9765 132.3911       62.36664 80.97790 34.20663 65.56985 16.29048 15.40804       37.88764 
1 1 1 -8  14 24 o 583.0583 9.419819 10007.22       322.1107 9757.079       734.3987 10066.81       358.4264 570.4800 21.99151 584.5316 10.45542 -14.05157      24.35041 
1 1 1 -8  14 25 o 163.1892 8.077646 785.2469       77.06817 888.7185       281.6768 776.8743       80.12559 168.4249 29.59596 162.2726 8.448384 6.152252       30.77818 
1 1 1 -8  14 26 o 126.8023 9.843473 476.5933       72.62959 320.6987       262.0956 489.5602       75.58984 104.3081 35.65549 128.4883 10.11257 -24.18020      37.06181 
1 1 1 -8  14 27 o 373.7272 10.73262 4123.515       234.9963 0.000000       0.000000 4123.515       234.9963 ?        ?        373.7272 10.73262 0.000000       10.73262 
1 1 1 -8  14 28 o 273.3955 8.667479 2202.538       138.7988 1962.236       365.9320 2242.920       150.0085 253.5238 24.93335 275.7939 9.287541 -22.27005      26.60696 
1 1 1 -8  14 29 o 161.0566 12.65617 771.4974       118.5852 0.000000       0.000000 771.4974       118.5852 ?        ?        161.0566 12.65617 0.000000       12.65617 
1 1 1 -8  14 30 o 333.7217 8.258706 3277.504       161.6393 0.000000       0.000000 3277.504       161.6393 ?        ?        333.7217 8.258706 0.000000       8.258706 
1 1 1 -8  14 31 o 295.6363 7.553461 2572.796       130.8574 2277.345       360.0273 2617.768       140.4641 273.9244 22.61185 298.1347 8.040793 -24.21030      23.99896 
1 1 1 -8  14 32 o 50.51614 18.59873 61.36075       72.50870 4.763658       311.5533 64.60186       74.55595 81.67570 35.35555 51.49117 18.87590 30.18454       40.07886 
1 1 1 -8  14 33 o 177.5356 8.815369 931.5734       91.49889 576.7588       312.6937 964.7988       95.68709 131.6565 38.24103 180.6418 9.060946 -48.98529      39.29984 
1 1 1 -8  14 34 o 220.5954 8.014956 1436.108       103.5203 1561.625       329.8866 1422.397       109.0276 223.7993 25.59334 219.4538 8.487161 4.345505       26.96388 
1 1 1 -8  14 35 o 76.14476 17.44831 181.1649       76.24574 -67.58087      293.7302 199.1364       78.95203 73.96945 33.06968 79.90439 17.34632 -5.934937      37.34298 
1 1 1 -8  14 36 f 50.03469 18.91643 56.79837       75.99903 -37.66048      105.6576 158.0630       109.3977 44.41261 19.84626 71.97433 22.97476 -27.56173      30.35974 
1 1 1 -8  14 37 o 247.1444 7.607258 1804.272       110.1316 1753.383       154.1656 1857.307       157.3835 242.7133 10.85786 249.8468 10.76602 -7.133560      15.29053 
1 1 1 -8  14 38 o 45.16106 18.71486 21.51096       81.12804 -97.26434      124.5163 109.1260       106.9431 43.44552 20.20449 62.87240 22.67140 -19.42688      30.36798 
1 1 1 -8  14 39 f 221.6111 7.976512 1456.945       103.5014 1521.615       145.9409 1391.505       146.8090 225.2867 11.07963 215.1543 11.67840 10.13237       16.09792 
1 1 1 -8  14 40 o 176.5940 9.726434 933.4166       100.3459 923.6271       145.2974 942.3438       138.7500 173.5923 14.40124 175.7776 13.56404 -2.185394      19.78330 
1 1 1 -8  14 41 o 82.50699 19.26122 222.6117       91.49910 158.3508       133.9602 278.8098       125.2746 71.24212 25.41175 90.78564 23.38561 -19.54353      34.53467 
1 1 1 -8  14 42 o 160.8890 10.62512 782.0760       99.69478 917.9069       140.0285 642.4507       141.9709 172.5735 13.95433 142.2817 17.37365 30.29179       22.28378 
1 1 1 -8  14 43 o 89.48138 17.81442 261.3678       90.20023 343.2569       128.1424 180.9448       126.9902 100.2603 22.36225 73.18161 24.82236 27.07873       33.40987 
1 1 1 -8  14 44 o 111.0472 14.31624 387.6598       91.06962 485.2757       127.9020 287.2790       129.7006 121.9136 18.46605 90.15534 24.07635 31.75829       30.34248 
1 1 1 -8  14 45 f 69.45455 21.53915 165.3071       96.82325 169.2587       140.9673 161.7779       133.2185 70.82589 25.95667 69.49387 25.26954 1.332016       36.22566 
1 1 1 -8  14 46 o 84.26505 21.08489 247.3646       103.9370 264.0128       150.7193 232.2683       143.5229 83.67893 26.99224 79.21751 26.38517 4.461418       37.74597 
1 1 1 -8  14 47 o 45.99104 20.27566 1.111079       106.6179 77.24995       150.4534 -75.69365      151.1098 59.77651 25.17856 47.54143 22.15913 12.23508       33.54082 
1 1 1 -8  14 48 o 65.28595 23.20445 146.7769       111.6049 192.6350       157.6605 100.7174       158.0064 72.68794 27.29672 62.37951 26.00621 10.30843       37.70190 
1 1 1 -8  14 49 o 62.67610 23.47857 130.4442       116.4867 -15.97536      164.2015 278.7896       165.2778 52.88219 24.07851 83.29728 28.31737 -30.41509      37.17052 
1 1 1 -8  15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 2  o 893.8090 17.32456 23500.39       908.1500 0.000000       0.000000 23500.39       908.1500 ?        ?        893.8090 17.32456 0.000000       17.32456 
1 1 1 -8  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  15 5  o 347.1554 8.585340 3536.839       174.7962 0.000000       0.000000 3536.839       174.7962 ?        ?        347.1554 8.585340 0.000000       8.585340 
1 1 1 -8  15 6  f 546.3305 10.27046 8762.666       329.0757 0.000000       0.000000 8762.666       329.0757 ?        ?        546.3305 10.27046 0.000000       10.27046 
1 1 1 -8  15 7  o 586.3590 10.72624 10095.08       368.8601 0.000000       0.000000 10095.08       368.8601 ?        ?        586.3590 10.72624 0.000000       10.72624 
1 1 1 -8  15 8  o 281.4215 7.972760 2325.960       131.4555 0.000000       0.000000 2325.960       131.4555 ?        ?        281.4215 7.972760 0.000000       7.972760 
1 1 1 -8  15 9  o 427.0399 10.34482 5354.443       259.0847 0.000000       0.000000 5354.443       259.0847 ?        ?        427.0399 10.34482 0.000000       10.34482 
1 1 1 -8  15 10 o 465.6198 9.346223 6364.393       255.2220 0.000000       0.000000 6364.393       255.2220 ?        ?        465.6198 9.346223 0.000000       9.346223 
1 1 1 -8  15 11 o 564.5904 10.23792 9360.172       338.9970 0.000000       0.000000 9360.172       338.9970 ?        ?        564.5904 10.23792 0.000000       10.23792 
1 1 1 -8  15 12 o 333.0824 9.836304 3260.467       191.9367 0.000000       0.000000 3260.467       191.9367 ?        ?        333.0824 9.836304 0.000000       9.836304 
1 1 1 -8  15 13 o 433.8577 8.129470 5525.105       206.8522 5837.905       547.3272 5472.982       223.4226 444.2400 21.06775 431.7689 8.823183 12.47113       22.84072 
1 1 1 -8  15 14 o 527.3348 11.11002 8170.904       343.5989 0.000000       0.000000 8170.904       343.5989 ?        ?        527.3348 11.11002 0.000000       11.11002 
1 1 1 -8  15 15 o 415.3308 9.700404 5067.046       236.2841 0.000000       0.000000 5067.046       236.2841 ?        ?        415.3308 9.700404 0.000000       9.700404 
1 1 1 -8  15 16 o 857.5224 13.07866 21637.97       657.7474 23230.12       1548.549 21287.49       726.5435 881.5579 29.99555 850.1945 14.57111 31.36334       33.34742 
1 1 1 -8  15 17 o 332.4905 9.384790 3250.756       182.8183 0.000000       0.000000 3250.756       182.8183 ?        ?        332.4905 9.384790 0.000000       9.384790 
1 1 1 -8  15 18 o 538.1729 8.901513 8509.989       280.9546 8391.149       657.6981 8536.517       310.7330 531.5490 21.13975 538.8932 9.831826 -7.344177      23.31424 
1 1 1 -8  15 19 o 133.2068 8.921906 523.8193       69.29842 1039.055       275.7112 489.0749       71.59683 184.7306 26.18133 128.6264 9.559362 56.10420       27.87191 
1 1 1 -8  15 20 o 384.6387 7.297241 4345.729       164.6122 4250.663       440.6023 4361.151       177.4629 377.8354 19.95428 385.2689 7.854039 -7.433472      21.44433 
1 1 1 -8  15 21 o 443.6402 7.847979 5784.072       204.1922 5954.219       518.0759 5752.780       222.1770 447.0791 19.80788 442.3462 8.564189 4.732941       21.58002 
1 1 1 -8  15 22 o 109.7880 13.03011 360.6777       82.26413 -279.4104      299.5204 412.9017       85.55425 65.91716 30.87843 117.6399 12.59629 -51.72270      33.34882 
1 1 1 -8  15 23 o 244.2913 6.986596 1755.047       99.99488 1485.387       338.1888 1780.880       104.6751 220.2911 26.72227 246.0558 7.261643 -25.76466      27.69135 
1 1 1 -8  15 24 o 121.5901 11.93676 440.5165       84.02480 213.0878       290.0134 461.3566       87.79019 96.01888 36.79642 124.4187 12.18738 -28.39984      38.76221 
1 1 1 -8  15 25 o 277.6486 7.023798 2267.504       114.2797 2405.843       373.4279 2253.209       120.0389 281.9837 22.77403 276.7242 7.403117 5.259491       23.94708 
1 1 1 -8  15 26 o 477.6261 9.028711 6717.721       252.9090 0.000000       0.000000 6717.721       252.9090 ?        ?        477.6261 9.028711 0.000000       9.028711 
1 1 1 -8  15 27 o 217.2280 8.011843 1390.221       101.8953 0.000000       0.000000 1390.221       101.8953 ?        ?        217.2280 8.011843 0.000000       8.011843 
1 1 1 -8  15 28 o 364.4192 10.75067 3920.777       229.5156 0.000000       0.000000 3920.777       229.5156 ?        ?        364.4192 10.75067 0.000000       10.75067 
1 1 1 -8  15 29 o 387.9547 8.589113 4430.289       195.4249 0.000000       0.000000 4430.289       195.4249 ?        ?        387.9547 8.589113 0.000000       8.589113 
1 1 1 -8  15 30 o 319.5743 7.701069 3004.411       144.3356 3945.243       456.1725 2899.744       152.1526 361.6508 21.60596 313.7727 8.275474 47.87805       23.13657 
1 1 1 -8  15 31 o 44.43124 18.17148 22.22017       75.17327 129.1696       316.7543 15.83699       77.38409 90.94326 37.25975 44.02756 18.26445 46.91570       41.49553 
1 1 1 -8  15 32 o 361.4908 7.752950 3847.159       164.3670 3548.402       437.8640 3896.164       177.3357 341.8099 21.95874 363.6776 8.314364 -21.86765      23.48010 
1 1 1 -8  15 33 o 78.76556 16.93999 192.7007       75.92722 527.3832       314.5375 171.9918       78.24100 125.8937 38.78410 74.22219 18.13196 51.67146       42.81325 
1 1 1 -8  15 34 o 59.88593 19.20248 106.4920       76.35737 -258.6211      300.9863 131.6066       78.93985 65.54074 30.78211 65.38509 19.27609 0.1556549      36.31950 
1 1 1 -8  15 35 o 36.11623 16.42632 -43.91325      76.15264 -297.4030      314.8401 -28.16139      78.48305 65.55524 31.00033 38.48155 17.15641 27.07369       35.43110 
1 1 1 -8  15 36 o 141.3828 14.77141 605.3112       120.6760 737.8166       340.0706 586.2220       129.0762 144.9300 39.11020 138.6800 16.17341 6.249969       42.32242 
1 1 1 -8  15 37 o 161.0591 9.860668 772.2925       92.69485 749.6516       132.7936 793.8079       129.4509 157.2834 14.56136 162.1655 13.74041 -4.882141      20.02079 
1 1 1 -8  15 38 o 133.4956 11.62723 536.8019       90.12460 555.5172       132.9095 520.8717       122.6221 133.7272 17.35574 129.7847 16.48112 3.942474       23.93427 
1 1 1 -8  15 39 o 119.8983 17.26745 451.1039       117.9240 370.5146       140.4030 644.0941       217.2728 105.7624 23.26881 137.3309 27.92878 -31.56846      36.35181 
1 1 1 -8  15 40 o 164.8376 10.35224 816.6801       99.57320 865.2310       149.2104 777.6990       133.6987 167.2888 15.38035 158.9968 14.49728 8.291946       21.13590 
1 1 1 -8  15 41 o 145.3288 11.54231 640.8776       97.56975 768.4343       144.4871 533.9515       132.2875 156.9481 15.91708 129.5549 17.88743 27.39319       23.94396 
1 1 1 -8  15 42 o 176.4559 9.661340 936.5463       99.60101 973.8235       137.7753 895.7366       144.1554 177.9823 13.29515 169.8517 14.61332 8.130569       19.75627 
1 1 1 -8  15 43 o 126.8807 12.66616 496.6848       92.99400 510.3540       131.5966 483.0500       131.4302 125.3283 18.45578 121.4881 19.07405 3.840225       26.54120 
1 1 1 -8  15 44 o 40.44618 18.19795 -26.13452      90.51479 -63.11657      137.7046 1.999335       120.1068 46.86497 21.60198 49.14097 21.59743 -2.275993      30.54659 
1 1 1 -8  15 45 o 131.0048 14.30259 541.1150       108.1056 522.6660       156.1251 558.1080       149.8374 122.8069 22.50614 128.5739 20.56347 -5.766983      30.48577 
1 1 1 -8  15 46 o 54.30865 21.69231 73.32517       104.3263 12.43233       158.2022 120.1831       138.7780 55.09846 24.47385 63.68241 25.15327 -8.583946      35.09496 
1 1 1 -8  15 47 o 34.62745 16.83871 -156.6679      108.6974 -281.3162      165.5563 -62.22397      144.1085 39.86924 19.66943 47.16491 21.86608 -7.295677      29.41108 
1 1 1 -8  15 48 o 86.54797 24.89765 281.6703       133.1413 406.8207       172.1168 95.20481       210.0905 101.4775 28.00595 65.87106 28.76696 35.60645       40.14811 
1 1 1 -8  16 1  f 495.7097 8.995871 7212.148       261.5298 6668.390       476.1500 7447.063       312.9649 475.7968 17.09141 503.6307 10.59578 -27.83392      20.10937 
1 1 1 -8  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  16 3  o 454.6888 10.06400 6069.353       268.3708 0.000000       0.000000 6069.353       268.3708 ?        ?        454.6888 10.06400 0.000000       10.06400 
1 1 1 -8  16 4  o 178.8136 9.516119 941.2219       99.43610 0.000000       0.000000 941.2219       99.43610 ?        ?        178.8136 9.516119 0.000000       9.516119 
1 1 1 -8  16 5  o 281.2975 8.528083 2324.425       140.5290 0.000000       0.000000 2324.425       140.5290 ?        ?        281.2975 8.528083 0.000000       8.528083 
1 1 1 -8  16 6  o 587.0023 12.75375 10123.61       439.0643 0.000000       0.000000 10123.61       439.0643 ?        ?        587.0023 12.75375 0.000000       12.75375 
1 1 1 -8  16 7  o 233.5337 8.120782 1602.475       111.0546 0.000000       0.000000 1602.475       111.0546 ?        ?        233.5337 8.120782 0.000000       8.120782 
1 1 1 -8  16 8  o 615.5010 11.11584 11126.33       401.2559 0.000000       0.000000 11126.33       401.2559 ?        ?        615.5010 11.11584 0.000000       11.11584 
1 1 1 -8  16 9  f 153.2684 9.341078 692.1885       83.56664 0.000000       0.000000 692.1885       83.56664 ?        ?        153.2684 9.341078 0.000000       9.341078 
1 1 1 -8  16 10 o 585.1826 10.61448 10057.03       364.2845 0.000000       0.000000 10057.03       364.2845 ?        ?        585.1826 10.61448 0.000000       10.61448 
1 1 1 -8  16 11 o 356.5001 8.196534 3730.426       171.3722 0.000000       0.000000 3730.426       171.3722 ?        ?        356.5001 8.196534 0.000000       8.196534 
1 1 1 -8  16 12 o 177.6223 8.626542 928.4045       89.59507 0.000000       0.000000 928.4045       89.59507 ?        ?        177.6223 8.626542 0.000000       8.626542 
1 1 1 -8  16 13 o 506.6473 13.61784 7556.477       404.2691 0.000000       0.000000 7556.477       404.2691 ?        ?        506.6473 13.61784 0.000000       13.61784 
1 1 1 -8  16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  16 15 o 525.9136 8.803268 8123.593       271.5244 9275.317       717.6561 7931.183       293.3296 559.2088 21.92473 519.5663 9.626410 39.64246       23.94497 
1 1 1 -8  16 16 o 448.8797 8.772609 5918.973       230.9454 0.000000       0.000000 5918.973       230.9454 ?        ?        448.8797 8.772609 0.000000       8.772609 
1 1 1 -8  16 17 o 398.5544 8.417150 4666.357       196.7448 0.000000       0.000000 4666.357       196.7448 ?        ?        398.5544 8.417150 0.000000       8.417150 
1 1 1 -8  16 18 o 129.5298 9.596648 495.9668       72.38422 0.000000       0.000000 495.9668       72.38422 ?        ?        129.5298 9.596648 0.000000       9.596648 
1 1 1 -8  16 19 o 341.9864 7.000158 3434.901       140.4000 3691.931       397.6541 3398.297       150.0647 352.2313 19.32386 340.1183 7.523120 12.11304       20.73666 
1 1 1 -8  16 20 o 113.5691 10.29234 382.7106       67.80920 29.10192       304.6081 401.1476       69.55452 83.87266 35.60038 116.2926 10.30474 -32.41994      37.06177 
1 1 1 -8  16 21 o 477.8183 8.155313 6712.130       228.5356 8272.485       644.2032 6487.483       244.4340 526.3176 20.91173 469.6435 8.874476 56.67407       22.71688 
1 1 1 -8  16 22 o 277.0412 7.055377 2256.813       114.5411 2127.956       364.5795 2270.924       120.6502 265.2999 23.68043 277.8676 7.410158 -12.56766      24.81276 
1 1 1 -8  16 23 o 329.7475 7.101832 3195.863       137.3417 2970.997       400.0904 3225.901       146.2273 314.1697 21.85034 331.2463 7.527086 -17.07666      23.11049 
1 1 1 -8  16 24 o 409.4458 7.649297 4930.161       183.6828 4919.891       492.3605 4931.822       197.9756 404.8199 20.80801 409.4197 8.245036 -4.599823      22.38200 
1 1 1 -8  16 25 o 219.5415 11.40609 1426.580       146.3566 1381.104       347.7877 1436.367       161.3379 210.8480 28.88350 220.0813 12.55184 -9.233292      31.49294 
1 1 1 -8  16 26 o 453.9922 12.07497 6094.060       321.2175 0.000000       0.000000 6094.060       321.2175 ?        ?        453.9922 12.07497 0.000000       12.07497 
1 1 1 -8  16 27 o 200.1364 10.77327 1184.963       125.9855 0.000000       0.000000 1184.963       125.9855 ?        ?        200.1364 10.77327 0.000000       10.77327 
1 1 1 -8  16 28 o 243.0023 8.310369 1739.731       118.2610 0.000000       0.000000 1739.731       118.2610 ?        ?        243.0023 8.310369 0.000000       8.310369 
1 1 1 -8  16 29 o 203.5296 11.73148 1227.558       139.4398 0.000000       0.000000 1227.558       139.4398 ?        ?        203.5296 11.73148 0.000000       11.73148 
1 1 1 -8  16 30 o 380.1737 8.538373 4255.921       190.3741 0.000000       0.000000 4255.921       190.3741 ?        ?        380.1737 8.538373 0.000000       8.538373 
1 1 1 -8  16 31 o 182.2106 8.975492 980.8854       95.61890 550.3478       354.8365 1014.597       99.29191 129.7356 41.37332 185.2934 9.165439 -55.55780      42.37637 
1 1 1 -8  16 32 o 252.5397 9.447963 1884.787       139.6857 1710.860       395.1714 1909.623       149.3260 232.7908 29.61412 254.0733 10.04111 -21.28247      31.27011 
1 1 1 -8  16 33 o 359.4021 7.953958 3806.986       167.6542 3767.352       468.0156 3812.821       179.5713 350.4836 22.89422 359.5446 8.515960 -9.060913      24.42676 
1 1 1 -8  16 34 o 182.5359 8.897036 986.0833       94.95851 1214.763       354.5840 968.4156       98.55848 192.9014 32.49622 180.8075 9.326037 12.09393       33.80797 
1 1 1 -8  16 35 o 26.84181 13.23720 -159.8493      74.73134 -658.9277      344.0182 -135.1318      76.55956 57.61420 28.41057 28.82598 14.04325 28.78822       31.69185 
1 1 1 -8  16 36 o 141.6029 10.78993 598.8874       88.93221 489.9492       347.0350 606.5443       92.00451 119.1115 41.01798 142.4350 11.10154 -23.32351      42.49375 
1 1 1 -8  16 37 o 260.7842 7.503892 2010.925       114.6480 2116.927       163.0080 1907.159       161.2794 266.5476 10.44782 252.7968 10.90384 13.75081       15.10134 
1 1 1 -8  16 38 o 207.5503 8.349950 1279.464       101.4309 1309.038       145.7619 1251.697       141.2352 208.5551 11.96741 203.9698 11.85777 4.585297       16.84712 
1 1 1 -8  16 39 o 114.5564 13.55350 402.9168       89.29698 497.2024       128.2144 314.1004       124.4402 125.4686 17.93370 97.40694 22.26954 28.06165       28.59283 
1 1 1 -8  16 40 o 125.8845 13.69232 487.7152       99.46126 325.4438       153.9067 604.0841       130.3332 96.78610 26.39228 138.9550 16.30269 -42.16893      31.02144 
1 1 1 -8  16 41 o 125.6995 12.66132 484.6393       92.06858 577.6782       125.4551 376.0442       135.5380 135.6078 16.08748 105.6745 22.55649 29.93330       27.70564 
1 1 1 -8  16 42 o 44.43745 19.17208 7.108753       91.01115 47.86197       126.7062 -36.32721      130.8102 55.37579 23.20178 48.05041 21.72435 7.325382       31.78474 
1 1 1 -8  16 43 f 76.55889 20.61963 199.0336       94.63725 194.8833       139.6967 202.5539       128.6583 75.13112 26.01746 76.22791 24.96453 -1.096794      36.05740 
1 1 1 -8  16 44 o 48.56617 20.09599 39.73156       93.35198 13.67803       146.0064 57.74639       121.4098 54.12189 23.79861 55.05936 22.86234 -0.9374695     33.00092 
1 1 1 -8  16 45 o 58.75145 21.76113 105.6841       99.52137 132.0918       143.2852 81.06976       138.3343 65.66904 25.67244 59.31786 24.49620 6.351185       35.48434 
1 1 1 -8  16 46 o 56.66983 22.02008 90.29805       104.9051 61.14293       153.1096 116.0954       144.0233 58.59508 25.06660 63.46183 25.44024 -4.866745      35.71471 
1 1 1 -8  16 47 o 77.76604 22.95782 219.6787       111.9104 144.0180       171.0519 276.3014       147.9749 67.72459 27.51852 84.61776 26.68551 -16.89317      38.33256 
1 1 1 -8  16 48 o 38.13747 18.19900 -111.2820      113.4901 -68.53499      170.1226 -145.5613      152.3437 50.37735 23.49125 43.36126 20.79730 7.016090       31.37462 
1 1 1 -8  17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  17 3  o 635.8384 12.80482 11879.08       477.4973 0.000000       0.000000 11879.08       477.4973 ?        ?        635.8384 12.80482 0.000000       12.80482 
1 1 1 -8  17 4  o 296.7694 8.727844 2587.277       151.7416 0.000000       0.000000 2587.277       151.7416 ?        ?        296.7694 8.727844 0.000000       8.727844 
1 1 1 -8  17 5  o 320.1847 8.707298 3011.323       163.3545 0.000000       0.000000 3011.323       163.3545 ?        ?        320.1847 8.707298 0.000000       8.707298 
1 1 1 -8  17 6  o 199.2267 8.676479 1167.238       101.1344 0.000000       0.000000 1167.238       101.1344 ?        ?        199.2267 8.676479 0.000000       8.676479 
1 1 1 -8  17 7  o 845.1644 14.41887 21004.15       714.6987 0.000000       0.000000 21004.15       714.6987 ?        ?        845.1644 14.41887 0.000000       14.41887 
1 1 1 -8  17 8  o 669.8571 11.91502 13183.60       468.0879 0.000000       0.000000 13183.60       468.0879 ?        ?        669.8571 11.91502 0.000000       11.91502 
1 1 1 -8  17 9  o 166.5505 11.66823 818.9857       113.2518 0.000000       0.000000 818.9857       113.2518 ?        ?        166.5505 11.66823 0.000000       11.66823 
1 1 1 -8  17 10 o 539.3388 10.13195 8543.396       320.4832 0.000000       0.000000 8543.396       320.4832 ?        ?        539.3388 10.13195 0.000000       10.13195 
1 1 1 -8  17 11 o 303.4555 21.03720 2732.968       372.0802 0.000000       0.000000 2732.968       372.0802 ?        ?        303.4555 21.03720 0.000000       21.03720 
1 1 1 -8  17 12 o 585.7557 10.42836 10081.19       358.2476 0.000000       0.000000 10081.19       358.2476 ?        ?        585.7557 10.42836 0.000000       10.42836 
1 1 1 -8  17 13 o 520.3447 13.90166 7975.667       423.8568 0.000000       0.000000 7975.667       423.8568 ?        ?        520.3447 13.90166 0.000000       13.90166 
1 1 1 -8  17 14 o 576.7034 11.92768 9782.693       403.4214 0.000000       0.000000 9782.693       403.4214 ?        ?        576.7034 11.92768 0.000000       11.92768 
1 1 1 -8  17 15 o 481.1214 8.595772 6799.664       242.5438 6995.710       600.8277 6761.496       265.1044 485.4280 21.15527 479.6848 9.423460 5.743164       23.15917 
1 1 1 -8  17 16 o 721.9691 17.88235 15412.41       757.1707 16891.30       1163.503 14326.01       997.2267 751.6957 26.43329 693.1008 24.57167 58.59497       36.08997 
1 1 1 -8  17 17 o 201.2214 7.958649 1191.352       93.73602 0.000000       0.000000 1191.352       93.73602 ?        ?        201.2214 7.958649 0.000000       7.958649 
1 1 1 -8  17 18 o 210.0981 7.340962 1298.207       90.31458 1687.912       339.1713 1268.466       93.69746 236.3644 24.83802 207.6431 7.707511 28.72128       26.00640 
1 1 1 -8  17 19 o 305.5944 7.041645 2743.315       126.2031 2869.697       397.1133 2729.117       133.1035 309.4321 22.02660 304.7708 7.446731 4.661224       23.25134 
1 1 1 -8  17 20 o 304.5124 7.006212 2724.286       125.1235 3104.419       398.9981 2682.826       131.7703 321.9132 21.25290 302.1502 7.436083 19.76303       22.51624 
1 1 1 -8  17 21 o 422.6374 7.709948 5250.908       191.1040 5370.621       518.7327 5232.109       205.5622 423.6025 20.94515 421.7956 8.309802 1.806885       22.53336 
1 1 1 -8  17 22 o 246.9039 7.091172 1793.184       102.5762 1549.538       369.8456 1813.488       106.7646 224.0605 28.81128 248.2715 7.340524 -24.21106      29.73169 
1 1 1 -8  17 23 o 205.8602 7.733474 1248.066       93.20187 0.000000       0.000000 1248.066       93.20187 ?        ?        205.8602 7.733474 0.000000       7.733474 
1 1 1 -8  17 24 o 95.22816 16.63552 277.1903       89.52831 91.69013       328.8520 292.0397       93.04272 90.08307 37.53399 97.76312 16.83506 -7.680054      41.13660 
1 1 1 -8  17 25 o 354.5590 7.404669 3696.880       153.9730 3507.556       450.9592 3721.864       163.8176 340.6190 22.70411 355.6919 7.853005 -15.07297      24.02387 
1 1 1 -8  17 26 o 211.2079 9.212083 1316.320       113.8342 2266.425       400.0909 1232.632       118.7418 272.4588 25.32850 204.2637 9.941874 68.19502       27.20981 
1 1 1 -8  17 27 f 180.6739 9.026415 963.5938       95.34186 1792.144       412.2610 916.7757       97.99854 240.1674 29.91574 176.1522 9.521341 64.01515       31.39438 
1 1 1 -8  17 28 o 356.0694 8.362329 3731.485       174.6274 0.000000       0.000000 3731.485       174.6274 ?        ?        356.0694 8.362329 0.000000       8.362329 
1 1 1 -8  17 29 o 93.18195 16.06459 265.3050       84.62179 0.000000       0.000000 265.3050       84.62179 ?        ?        93.18195 16.06459 0.000000       16.06459 
1 1 1 -8  17 30 o 158.3027 10.24855 742.6292       94.63702 0.000000       0.000000 742.6292       94.63702 ?        ?        158.3027 10.24855 0.000000       10.24855 
1 1 1 -8  17 31 o 343.5518 7.948083 3475.957       160.1420 4010.262       500.3302 3414.972       169.0343 362.2527 23.68001 340.4262 8.466452 21.82654       25.14803 
1 1 1 -8  17 32 o 351.2127 7.978937 3634.970       164.3485 3002.912       445.9575 3734.304       176.7918 311.9538 24.57375 355.8680 8.470765 -43.91425      25.99275 
1 1 1 -8  17 33 o 184.6596 8.823845 1008.762       95.28439 1064.476       377.1414 1004.963       98.47926 177.7615 37.36404 184.2516 9.142006 -6.490082      38.46619 
1 1 1 -8  17 34 o 169.8058 9.315207 854.7424       92.41209 573.4733       364.0369 874.1163       95.54179 129.0365 41.97575 171.6830 9.526243 -42.64653      43.04315 
1 1 1 -8  17 35 f 151.2504 11.46012 683.7401       100.9002 1420.846       408.6511 635.8851       104.1241 205.4095 35.18711 145.6178 12.30745 59.79164       37.27742 
1 1 1 -8  17 36 o 256.6940 8.120846 1949.609       122.1014 2035.711       402.9910 1940.905       128.1239 250.7914 27.86890 255.9972 8.545821 -5.205841      29.14973 
1 1 1 -8  17 37 o 377.1049 7.879777 4208.751       174.2716 4276.311       259.2828 4153.081       235.3642 377.8551 11.71447 372.9705 10.77136 4.884613       15.91387 
1 1 1 -8  17 38 o 100.1086 15.09539 311.5884       85.87415 337.5434       121.6145 285.7781       121.2750 101.8106 21.06290 92.96304 22.49062 8.847565       30.81353 
1 1 1 -8  17 39 o 81.50662 18.14854 214.6226       84.52440 255.5440       114.3152 165.2677       125.5434 87.54524 22.22814 72.04985 24.67574 15.49539       33.21117 
1 1 1 -8  17 40 o 36.18769 16.76450 -60.25344      84.47282 -113.3227      119.9472 -8.033254      118.9838 40.62780 19.18897 48.85526 21.48321 -8.227467      28.80529 
1 1 1 -8  17 41 o 80.92329 20.41434 219.0319       96.86266 90.51388       131.5193 371.3771       143.1930 61.23587 24.39012 103.8083 23.99990 -42.57238      34.21803 
1 1 1 -8  17 42 o 102.8984 16.87272 340.7805       98.29666 315.4432       140.1472 365.3134       137.9049 94.35886 24.94869 102.6996 23.41735 -8.340714      34.21709 
1 1 1 -8  17 43 o 54.65930 20.95802 79.98937       94.11692 122.9040       145.9077 49.40971       123.1663 65.63131 25.83189 54.57765 22.87191 11.05366       34.50233 
1 1 1 -8  17 44 o 58.45604 21.39190 104.6624       95.69164 161.6736       137.6414 51.32852       133.1283 69.48582 25.61764 55.73969 23.59175 13.74613       34.82577 
1 1 1 -8  17 45 o 136.0405 14.25190 585.0862       112.0224 589.5074       170.2383 581.7097       148.7701 129.3022 23.30639 131.3521 19.93758 -2.049911      30.67075 
1 1 1 -8  17 46 o 51.37182 21.82648 40.05215       114.6898 13.96152       176.8011 59.00776       150.6994 57.15960 25.59801 57.90137 24.82128 -0.7417717     35.65605 
1 1 1 -8  17 47 o 96.61095 22.62663 335.9979       125.9366 197.0289       205.9052 419.0541       159.1821 74.19548 30.17575 105.1606 25.96701 -30.96515      39.81032 
1 1 1 -8  17 48 o 112.6576 20.43057 441.3553       130.0174 499.7217       206.0193 402.7226       167.6115 108.7116 30.87419 100.7440 27.57121 7.967598       41.39308 
1 1 1 -8  18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 2  o 539.7495 11.12452 8556.978       352.1469 0.000000       0.000000 8556.978       352.1469 ?        ?        539.7495 11.12452 0.000000       11.12452 
1 1 1 -8  18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 4  o 292.3012 8.449785 2509.960       144.7007 0.000000       0.000000 2509.960       144.7007 ?        ?        292.3012 8.449785 0.000000       8.449785 
1 1 1 -8  18 5  o 764.9324 15.42256 17214.93       691.8790 0.000000       0.000000 17214.93       691.8790 ?        ?        764.9324 15.42256 0.000000       15.42256 
1 1 1 -8  18 6  o 439.9362 9.833829 5683.350       253.7248 0.000000       0.000000 5683.350       253.7248 ?        ?        439.9362 9.833829 0.000000       9.833829 
1 1 1 -8  18 7  o 247.2086 7.930394 1795.576       114.8277 0.000000       0.000000 1795.576       114.8277 ?        ?        247.2086 7.930394 0.000000       7.930394 
1 1 1 -8  18 8  o 658.1802 11.70055 12730.74       451.6496 0.000000       0.000000 12730.74       451.6496 ?        ?        658.1802 11.70055 0.000000       11.70055 
1 1 1 -8  18 9  o 701.4064 12.21521 14462.96       502.4826 0.000000       0.000000 14462.96       502.4826 ?        ?        701.4064 12.21521 0.000000       12.21521 
1 1 1 -8  18 10 o 338.4034 7.952632 3361.933       157.8324 0.000000       0.000000 3361.933       157.8324 ?        ?        338.4034 7.952632 0.000000       7.952632 
1 1 1 -8  18 11 o 563.9290 12.15992 9352.373       402.1662 0.000000       0.000000 9352.373       402.1662 ?        ?        563.9290 12.15992 0.000000       12.15992 
1 1 1 -8  18 12 o 722.5634 12.57693 15360.81       532.9681 0.000000       0.000000 15360.81       532.9681 ?        ?        722.5634 12.57693 0.000000       12.57693 
1 1 1 -8  18 13 o 350.1393 7.950150 3600.200       163.2551 0.000000       0.000000 3600.200       163.2551 ?        ?        350.1393 7.950150 0.000000       7.950150 
1 1 1 -8  18 14 o 561.3446 10.21154 9263.996       336.1795 0.000000       0.000000 9263.996       336.1795 ?        ?        561.3446 10.21154 0.000000       10.21154 
1 1 1 -8  18 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  18 17 o 650.8234 13.01658 12490.04       496.8330 0.000000       0.000000 12490.04       496.8330 ?        ?        650.8234 13.01658 0.000000       13.01658 
1 1 1 -8  18 18 o 447.5135 8.747006 5888.823       229.5706 0.000000       0.000000 5888.823       229.5706 ?        ?        447.5135 8.747006 0.000000       8.747006 
1 1 1 -8  18 19 o 297.4436 7.168301 2599.547       125.0465 2630.465       415.2180 2596.463       131.1345 295.2416 24.19190 297.1417 7.531007 -1.900055      25.33702 
1 1 1 -8  18 20 o 299.6491 7.078501 2638.513       124.3956 2629.343       403.0654 2639.478       130.7797 295.1806 23.47616 299.6709 7.441237 -4.490295      24.62727 
1 1 1 -8  18 21 o 339.9503 7.336524 3397.149       146.2703 2786.675       424.5701 3479.364       155.8087 303.4230 24.05563 343.9938 7.723083 -40.57080      25.26498 
1 1 1 -8  18 22 o 195.7828 8.828541 1130.539       101.1102 1033.750       363.5133 1138.655       105.2641 179.5376 35.78008 196.4422 9.162059 -16.90459      36.93450 
1 1 1 -8  18 23 o 150.1670 11.84608 670.0136       103.4834 254.5181       362.6705 706.8405       107.9721 105.2475 40.92958 154.2320 12.03190 -48.98456      42.66142 
1 1 1 -8  18 24 o 308.2212 8.656491 2798.796       156.3236 2684.722       441.5439 2815.143       167.1498 296.5662 25.63796 309.0220 9.233223 -12.45575      27.24991 
1 1 1 -8  18 25 o 367.9083 9.745006 3991.491       210.0824 3468.029       453.2856 4134.690       237.0826 338.5819 22.96333 374.2134 10.81398 -35.63147      25.38221 
1 1 1 -8  18 26 o 240.2641 7.951091 1700.118       111.8839 2616.340       432.6013 1634.439       115.8247 292.8739 25.43791 235.5129 8.399082 57.36099       26.78865 
1 1 1 -8  18 27 o 265.4872 10.41133 2081.627       161.7923 0.000000       0.000000 2081.627       161.7923 ?        ?        265.4872 10.41133 0.000000       10.41133 
1 1 1 -8  18 28 o 141.5505 11.09501 595.0505       91.37083 0.000000       0.000000 595.0505       91.37083 ?        ?        141.5505 11.09501 0.000000       11.09501 
1 1 1 -8  18 29 o 294.5486 10.23742 2563.161       176.5783 0.000000       0.000000 2563.161       176.5783 ?        ?        294.5486 10.23742 0.000000       10.23742 
1 1 1 -8  18 30 o 398.2491 10.59331 4688.479       247.2017 0.000000       0.000000 4688.479       247.2017 ?        ?        398.2491 10.59331 0.000000       10.59331 
1 1 1 -8  18 31 o 123.1157 11.85152 453.1729       84.51717 529.6506       389.7345 449.3988       86.57745 127.1208 43.47848 122.5252 12.21079 4.595612       45.16062 
1 1 1 -8  18 32 o 305.3642 7.851072 2750.040       140.4874 2320.889       437.3923 2799.406       148.3478 271.6399 27.84924 308.0105 8.219649 -36.37064      29.03692 
1 1 1 -8  18 33 o 50.03679 19.03604 55.14207       77.25294 428.4220       417.3533 41.89872       78.61140 118.0251 44.39294 48.08063 18.94964 69.94447       48.26823 
1 1 1 -8  18 34 o 130.7921 11.65803 512.2281       88.48833 -245.7755      399.1093 551.4159       90.74687 77.32142 36.03053 135.7750 11.50443 -58.45356      37.82263 
1 1 1 -8  18 35 o 148.4820 11.08041 659.0175       95.79379 364.7487       437.3079 673.8495       98.17826 111.4948 44.45272 150.1132 11.23329 -38.61836      45.85010 
1 1 1 -8  18 36 o 199.5914 9.097797 1183.865       106.2148 566.3014       383.5312 1235.163       110.5382 123.2648 43.08381 203.8267 9.271278 -80.56190      44.07007 
1 1 1 -8  18 37 o 159.8799 10.30482 765.7377       96.10938 800.3642       372.6355 763.2701       99.47492 142.4264 41.85193 159.4913 10.69657 -17.06490      43.19723 
1 1 1 -8  18 38 o 102.9220 14.23192 327.7950       83.60928 225.8248       114.2710 445.2806       122.6567 82.37510 22.85242 118.4514 18.24088 -36.07629      29.23975 
1 1 1 -8  18 39 o 109.9010 13.82460 373.2990       87.13850 347.3447       117.4965 405.0221       129.8998 103.1391 20.14743 111.3009 20.66075 -8.161842      28.85802 
1 1 1 -8  18 40 o 107.4146 15.19881 362.1159       93.07516 219.8528       134.2583 493.7524       129.1467 80.11302 25.43801 124.0439 18.30151 -43.93085      31.33748 
1 1 1 -8  18 41 f 176.4350 10.30047 940.9061       106.1205 1002.607       152.7670 883.3672       147.5244 179.4778 14.64045 168.0788 15.12750 11.39902       21.05194 
1 1 1 -8  18 42 o 114.3004 15.07319 412.9243       98.58197 357.2532       146.8096 458.6405       133.0376 100.1745 25.05513 117.5334 20.01696 -17.35892      32.06927 
1 1 1 -8  18 43 o 152.0703 11.36307 708.2594       100.6096 735.5045       138.9760 678.2570       145.8390 152.0444 15.81632 144.6868 17.54482 7.357590       23.62153 
1 1 1 -8  18 44 f 103.6155 18.18095 355.9790       106.4547 296.9306       152.4162 412.2211       148.7501 88.71839 26.93452 107.1253 24.24383 -18.40691      36.23854 
1 1 1 -8  18 45 o 167.4870 12.21695 869.0875       119.1783 1001.498       182.0307 769.7468       157.6692 174.5754 18.03867 153.0202 17.90730 21.55519       25.41781 
1 1 1 -8  18 46 o 133.0517 22.24300 622.3370       167.4436 731.4536       209.0730 427.1529       279.6241 139.8434 26.46097 94.77369 36.17778 45.06966       44.82203 
1 1 1 -8  18 47 o 88.39697 23.77312 288.7482       125.9096 242.4428       191.0625 324.2944       167.4005 78.45240 29.91524 89.84418 28.38954 -11.39178      41.24182 
1 1 1 -8  19 1  o 448.6574 11.55785 5918.492       303.8649 6732.516       460.7836 5292.077       404.2120 477.9008 16.46485 423.6598 16.29868 54.24106       23.16761 
1 1 1 -8  19 2  o 372.3553 7.827741 4069.496       170.9403 3910.243       347.1701 4120.460       196.3975 364.0710 16.30078 374.6266 8.938958 -10.55554      18.59087 
1 1 1 -8  19 3  o 290.0356 8.361183 2471.453       142.0745 0.000000       0.000000 2471.453       142.0745 ?        ?        290.0356 8.361183 0.000000       8.361183 
1 1 1 -8  19 4  o 213.5303 8.558955 1340.721       106.9671 0.000000       0.000000 1340.721       106.9671 ?        ?        213.5303 8.558955 0.000000       8.558955 
1 1 1 -8  19 5  o 252.9723 8.166074 1880.579       120.9950 0.000000       0.000000 1880.579       120.9950 ?        ?        252.9723 8.166074 0.000000       8.166074 
1 1 1 -8  19 6  o 667.2589 13.31587 13095.51       521.0920 0.000000       0.000000 13095.51       521.0920 ?        ?        667.2589 13.31587 0.000000       13.31587 
1 1 1 -8  19 7  o 420.4369 8.632195 5190.401       212.8495 0.000000       0.000000 5190.401       212.8495 ?        ?        420.4369 8.632195 0.000000       8.632195 
1 1 1 -8  19 8  o 410.9672 8.505660 4959.387       205.0056 0.000000       0.000000 4959.387       205.0056 ?        ?        410.9672 8.505660 0.000000       8.505660 
1 1 1 -8  19 9  o 142.3705 9.565302 598.1297       79.40385 0.000000       0.000000 598.1297       79.40385 ?        ?        142.3705 9.565302 0.000000       9.565302 
1 1 1 -8  19 10 o 143.3287 13.65441 610.1913       113.3923 0.000000       0.000000 610.1913       113.3923 ?        ?        143.3287 13.65441 0.000000       13.65441 
1 1 1 -8  19 11 o 124.0943 10.29144 455.7377       74.22637 0.000000       0.000000 455.7377       74.22637 ?        ?        124.0943 10.29144 0.000000       10.29144 
1 1 1 -8  19 12 o 112.1665 10.98248 373.5219       71.32121 0.000000       0.000000 373.5219       71.32121 ?        ?        112.1665 10.98248 0.000000       10.98248 
1 1 1 -8  19 13 o 350.6814 11.38437 3622.242       233.8278 0.000000       0.000000 3622.242       233.8278 ?        ?        350.6814 11.38437 0.000000       11.38437 
1 1 1 -8  19 14 o 272.3478 8.311869 2181.370       132.6064 0.000000       0.000000 2181.370       132.6064 ?        ?        272.3478 8.311869 0.000000       8.311869 
1 1 1 -8  19 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  19 16 o 306.9106 8.671544 2771.406       155.9277 0.000000       0.000000 2771.406       155.9277 ?        ?        306.9106 8.671544 0.000000       8.671544 
1 1 1 -8  19 17 o 330.3097 7.634334 3206.248       147.8914 0.000000       0.000000 3206.248       147.8914 ?        ?        330.3097 7.634334 0.000000       7.634334 
1 1 1 -8  19 18 o 332.7650 7.751204 3254.832       151.2716 0.000000       0.000000 3254.832       151.2716 ?        ?        332.7650 7.751204 0.000000       7.751204 
1 1 1 -8  19 19 o 199.0510 7.797843 1166.620       90.85492 1592.256       362.2710 1138.052       93.85443 227.8439 27.67803 196.5565 8.159474 31.28738       28.85568 
1 1 1 -8  19 20 o 304.0766 8.797960 2723.253       156.7323 0.000000       0.000000 2723.253       156.7323 ?        ?        304.0766 8.797960 0.000000       8.797960 
1 1 1 -8  19 21 o 144.8787 9.354806 620.6719       79.06095 403.5009       363.1026 631.4803       81.00446 117.8251 41.85712 146.1204 9.504086 -28.29532      42.92256 
1 1 1 -8  19 22 o 405.2714 7.844291 4831.368       186.4447 4833.623       507.9024 4831.017       200.4380 400.6855 21.69446 405.1577 8.435396 -4.472198      23.27672 
1 1 1 -8  19 23 o 169.0744 8.688808 843.7342       85.86765 414.5240       372.3495 867.8422       88.24622 118.9394 42.37280 171.4643 8.804987 -52.52486      43.27796 
1 1 1 -8  19 24 o 196.1201 8.434215 1134.118       96.78342 551.1106       401.1635 1170.149       99.72930 132.0466 44.11528 199.2009 8.556473 -67.15437      44.93742 
1 1 1 -8  19 25 o 393.6890 8.438599 4561.596       194.8382 0.000000       0.000000 4561.596       194.8382 ?        ?        393.6890 8.438599 0.000000       8.438599 
1 1 1 -8  19 26 o 266.3790 8.042239 2089.592       125.4960 3175.451       504.3206 2017.914       129.5718 322.0863 26.94501 261.7079 8.453043 60.37842       28.23982 
1 1 1 -8  19 27 o 439.2061 8.446026 5678.433       217.5562 6314.143       616.5337 5588.017       232.5132 456.9674 23.07966 435.5604 9.102247 21.40701       24.80971 
1 1 1 -8  19 28 o 147.3826 10.59303 644.3941       90.95165 0.000000       0.000000 644.3941       90.95165 ?        ?        147.3826 10.59303 0.000000       10.59303 
1 1 1 -8  19 29 o 357.7140 8.477695 3769.633       177.8542 0.000000       0.000000 3769.633       177.8542 ?        ?        357.7140 8.477695 0.000000       8.477695 
1 1 1 -8  19 30 o 73.85240 23.50010 164.6363       114.5304 0.000000       0.000000 164.6363       114.5304 ?        ?        73.85240 23.50010 0.000000       23.50010 
1 1 1 -8  19 31 o 131.2594 11.52963 514.4120       87.85482 321.7812       404.0271 523.9724       90.00855 110.3431 43.11746 132.4460 11.70808 -22.10293      44.67879 
1 1 1 -8  19 32 o 116.6060 12.45419 408.4839       83.85298 780.9182       404.0966 391.7256       85.71878 148.7554 43.54779 114.0272 13.05286 34.72815       45.46193 
1 1 1 -8  19 33 o 115.1185 12.77319 399.2150       84.78748 553.6205       409.6811 392.3055       86.66380 127.1938 44.52331 114.0023 13.20602 13.19146       46.44054 
1 1 1 -8  19 34 o 122.4343 12.50869 451.4157       88.55769 211.3638       461.5404 460.5912       90.23428 103.9408 43.95668 123.6561 12.61913 -19.71535      45.73217 
1 1 1 -8  19 35 o 126.5555 12.16876 482.7040       89.20679 -339.7123      402.9344 525.0923       91.47682 72.81379 34.61789 132.1066 11.93552 -59.29278      36.61769 
1 1 1 -8  19 36 o 43.26670 18.21407 13.17908       78.66132 220.9579       429.9509 5.983404       80.01180 98.26230 42.01988 42.62187 18.17378 55.64043       45.78162 
1 1 1 -8  19 37 o 207.2779 8.850479 1279.932       107.3420 1022.697       437.8061 1296.384       110.7215 155.9774 45.23277 208.5244 9.075399 -52.54703      46.13422 
1 1 1 -8  19 38 o 249.4768 7.576534 1847.841       110.7255 1712.144       143.6020 2046.811       173.8876 238.8988 10.27335 260.5706 11.40633 -21.67175      15.35077 
1 1 1 -8  19 39 o 119.8514 12.73435 440.5164       88.14123 455.2366       122.2696 424.5910       127.1761 119.3684 18.02664 114.3413 19.67441 5.027115       26.68412 
1 1 1 -8  19 40 o 120.6535 13.07455 449.3402       91.03928 399.5082       123.9393 507.7350       134.1659 110.2069 19.90812 125.1814 18.85980 -14.97449      27.42308 
1 1 1 -8  19 41 o 78.77714 20.32673 209.4370       94.53676 251.5110       138.4891 172.7232       129.3669 84.07165 25.70463 71.81921 25.02751 12.25243       35.87624 
1 1 1 -8  19 42 o 82.38070 19.11312 227.4417       90.55419 293.0566       124.8540 154.6190       131.5329 91.37369 23.24637 68.79446 25.09501 22.57922       34.20750 
1 1 1 -8  19 43 o 128.3507 13.61647 516.1811       100.9357 577.8150       141.7432 452.7743       143.7675 132.2595 18.80276 114.3478 22.23883 17.91177       29.12232 
1 1 1 -8  19 44 o 147.3023 12.82518 676.0588       109.6924 776.3845       160.8609 588.8602       149.9681 153.5581 18.21635 132.1285 19.97617 21.42964       27.03485 
1 1 1 -8  19 45 o 91.06813 21.72305 293.2472       114.3910 63.98138       172.4073 473.5473       152.8918 60.63903 26.27492 114.9512 23.47345 -54.31219      35.23314 
1 1 1 -8  19 46 o 112.2269 20.20652 433.6779       128.1057 517.7006       204.7551 379.6320       164.2168 112.3340 30.36189 98.48531 27.42273 13.84872       40.91272 
1 1 1 -8  19 47 o 70.62497 24.64000 182.8664       125.4121 148.4847       187.3896 210.7598       168.7847 68.36086 28.39585 74.37448 28.17412 -6.013626      40.00132 
1 1 1 -8  20 1  o 841.8306 13.13897 20846.23       648.6888 19947.62       996.3282 21507.46       854.6516 821.3344 20.70037 854.1633 17.06073 -32.82892      26.82487 
1 1 1 -8  20 2  o 651.0096 12.93745 12465.91       493.9540 0.000000       0.000000 12465.91       493.9540 ?        ?        651.0096 12.93745 0.000000       12.93745 
1 1 1 -8  20 3  o 260.3109 8.371372 1991.674       127.6364 0.000000       0.000000 1991.674       127.6364 ?        ?        260.3109 8.371372 0.000000       8.371372 
1 1 1 -8  20 4  o 696.6000 11.31512 14264.05       462.2673 14138.33       757.9894 14338.50       583.2957 691.8244 18.69886 697.9193 14.25060 -6.094849      23.51015 
1 1 1 -8  20 5  o 390.0212 9.537571 4468.564       218.1607 0.000000       0.000000 4468.564       218.1607 ?        ?        390.0212 9.537571 0.000000       9.537571 
1 1 1 -8  20 6  o 489.5094 10.83691 7043.254       311.1122 0.000000       0.000000 7043.254       311.1122 ?        ?        489.5094 10.83691 0.000000       10.83691 
1 1 1 -8  20 7  o 333.3971 8.584241 3266.657       167.7076 0.000000       0.000000 3266.657       167.7076 ?        ?        333.3971 8.584241 0.000000       8.584241 
1 1 1 -8  20 8  o 346.3213 7.992951 3522.018       162.3442 0.000000       0.000000 3522.018       162.3442 ?        ?        346.3213 7.992951 0.000000       7.992951 
1 1 1 -8  20 9  o 317.0517 7.810181 2951.862       145.2251 0.000000       0.000000 2951.862       145.2251 ?        ?        317.0517 7.810181 0.000000       7.810181 
1 1 1 -8  20 10 f 280.2055 7.556590 2307.272       124.0670 0.000000       0.000000 2307.272       124.0670 ?        ?        280.2055 7.556590 0.000000       7.556590 
1 1 1 -8  20 11 o 363.9402 8.806325 3891.960       187.9642 0.000000       0.000000 3891.960       187.9642 ?        ?        363.9402 8.806325 0.000000       8.806325 
1 1 1 -8  20 12 o 255.7717 7.842870 1923.485       117.5072 0.000000       0.000000 1923.485       117.5072 ?        ?        255.7717 7.842870 0.000000       7.842870 
1 1 1 -8  20 13 o 368.6187 8.078876 3992.463       174.6541 0.000000       0.000000 3992.463       174.6541 ?        ?        368.6187 8.078876 0.000000       8.078876 
1 1 1 -8  20 14 o 643.2005 23.28309 12363.99       876.8400 0.000000       0.000000 12363.99       876.8400 ?        ?        643.2005 23.28309 0.000000       23.28309 
1 1 1 -8  20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  20 16 o 293.6260 8.839135 2537.990       152.0408 0.000000       0.000000 2537.990       152.0408 ?        ?        293.6260 8.839135 0.000000       8.839135 
1 1 1 -8  20 17 o 280.1074 8.659307 2309.949       142.0811 0.000000       0.000000 2309.949       142.0811 ?        ?        280.1074 8.659307 0.000000       8.659307 
1 1 1 -8  20 18 o 640.0380 11.31432 12079.17       424.7025 0.000000       0.000000 12079.17       424.7025 ?        ?        640.0380 11.31432 0.000000       11.31432 
1 1 1 -8  20 19 o 520.4509 10.11357 7980.920       308.6987 9901.752       765.7263 7608.151       337.3255 573.7385 22.80210 507.8440 11.32578 65.89450       25.45996 
1 1 1 -8  20 20 o 408.4231 7.852169 4906.334       188.0834 4666.872       504.9858 4944.903       202.6649 393.7232 21.95641 409.9307 8.429806 -16.20743      23.51904 
1 1 1 -8  20 21 o 43.14487 17.36987 25.78224       67.44572 -179.7225      336.9630 34.35900       68.83876 75.23252 34.34654 44.94270 17.72659 30.28983       38.65122 
1 1 1 -8  20 22 o 99.43092 12.93202 297.2071       73.62666 777.0905       392.5979 279.7143       74.95658 153.1874 42.30520 96.27266 13.65861 56.91473       44.45546 
1 1 1 -8  20 23 o 286.7418 7.808143 2420.437       131.1852 1926.760       476.5013 2460.924       136.4585 247.2741 33.73643 289.0957 8.056237 -41.82161      34.68501 
1 1 1 -8  20 24 o 428.4002 8.285896 5400.734       208.1803 5332.541       606.1740 5409.853       221.6625 419.2074 24.76608 428.6618 8.817123 -9.454437      26.28879 
1 1 1 -8  20 25 o 300.7285 8.032750 2662.684       141.5469 3840.273       550.2211 2579.228       146.4767 354.5539 26.65608 295.9113 8.448925 58.64258       27.96302 
1 1 1 -8  20 26 o 175.8272 9.601783 913.7112       98.63638 480.3090       463.3686 934.2820       100.9501 128.2833 47.05256 177.7843 9.718913 -49.50096      48.04582 
1 1 1 -8  20 27 o 244.4505 10.88138 1767.707       155.6094 0.000000       0.000000 1767.707       155.6094 ?        ?        244.4505 10.88138 0.000000       10.88138 
1 1 1 -8  20 28 o 226.8272 11.01254 1523.850       146.0607 0.000000       0.000000 1523.850       146.0607 ?        ?        226.8272 11.01254 0.000000       11.01254 
1 1 1 -8  20 29 o 176.5802 9.806843 923.3624       101.1609 0.000000       0.000000 923.3624       101.1609 ?        ?        176.5802 9.806843 0.000000       9.806843 
1 1 1 -8  20 30 o 204.9159 11.83147 1248.915       141.5840 0.000000       0.000000 1248.915       141.5840 ?        ?        204.9159 11.83147 0.000000       11.83147 
1 1 1 -8  20 31 o 402.4151 8.310195 4776.740       196.1264 4580.551       527.2437 4808.247       211.2886 385.6569 23.42136 403.5572 8.927308 -17.90036      25.06505 
1 1 1 -8  20 32 o 61.68795 19.90235 113.3834       81.93817 85.25887       379.8093 114.7562       83.91418 91.86954 39.39434 62.13055 20.14885 29.73899       44.24805 
1 1 1 -8  20 33 o 113.9441 13.40614 392.8656       87.87492 909.1335       459.2613 373.2463       89.52907 156.0621 46.61687 110.8453 14.08995 45.21678       48.69969 
1 1 1 -8  20 34 o 223.2933 8.861487 1478.172       115.8163 684.4341       444.9756 1535.849       119.9504 134.7895 46.44558 227.5744 9.005051 -92.78485      47.31049 
1 1 1 -8  20 35 o 45.79353 18.63547 30.38161       78.58401 -105.0609      434.3073 34.96604       79.90289 83.50182 38.44387 46.77279 18.87929 36.72903       42.82941 
1 1 1 -8  20 36 o 125.7902 12.39691 480.5183       90.26834 459.7587       431.5983 481.4679       92.30988 111.3412 44.23675 125.8159 12.68306 -14.47471      46.01902 
1 1 1 -8  20 37 o 169.1357 9.996285 857.9334       98.71503 1096.217       470.7169 846.9719       100.9601 157.1248 47.25507 167.9332 10.30047 -10.80840      48.36467 
1 1 1 -8  20 38 o 154.1818 10.02187 714.7216       90.13065 591.7697       117.0404 893.8812       141.2826 138.2787 14.65493 170.4367 14.26505 -32.15802      20.45138 
1 1 1 -8  20 39 o 54.57936 20.24956 81.60770       86.24117 2.591178       121.1206 162.8626       122.8241 50.06416 21.85351 70.78815 24.40120 -20.72400      32.75659 
1 1 1 -8  20 40 o 223.0551 8.484443 1488.673       110.7882 1401.176       149.0416 1596.723       165.6234 214.3314 11.90366 228.4604 12.40776 -14.12900      17.19446 
1 1 1 -8  20 41 f 96.41724 16.86085 300.9616       91.87222 360.7727       130.0737 241.4198       129.7806 102.4735 22.28011 82.45713 24.81576 20.01637       33.35004 
1 1 1 -8  20 42 o 48.12403 19.94392 38.11727       92.14146 31.88943       131.9120 44.05109       128.7606 53.74431 23.13351 54.53668 23.14713 -0.7923698     32.72536 
1 1 1 -8  20 43 o 153.5372 12.00220 728.0672       107.2166 538.3417       148.6176 933.9786       154.8274 125.6970 20.89339 171.1458 15.59638 -45.44884      26.07260 
1 1 1 -8  20 44 o 106.9821 17.83825 379.3800       107.9829 202.3785       156.7383 539.2898       148.9787 74.61839 27.36629 125.3406 21.00943 -50.72224      34.50087 
1 1 1 -8  20 45 o 216.5207 10.61054 1435.519       134.3269 1367.072       199.1668 1492.634       181.9344 205.0152 16.70936 217.0234 14.37514 -12.00824      22.04195 
1 1 1 -8  20 46 o 79.43184 24.46685 235.7589       125.1818 244.3284       186.7642 228.7685       168.6813 78.66937 29.67353 76.96564 28.36222 1.703728       41.04794 
1 1 1 -8  21 1  o 174.2585 8.441717 893.8898       86.01639 792.7267       259.1118 906.4188       91.18752 160.7444 28.53021 175.4416 8.891408 -14.69720      29.88361 
1 1 1 -8  21 2  o 146.7179 9.196278 634.8518       78.73286 317.3169       254.8975 668.3422       82.78077 105.3057 35.16471 150.5320 9.423980 -45.22633      36.40561 
1 1 1 -8  21 3  f 436.9119 8.296382 5606.136       212.5852 5730.944       400.2881 5557.105       250.8909 440.6515 15.51333 434.8640 9.837414 5.787476       18.36949 
1 1 1 -8  21 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  21 5  o 212.5249 8.322181 1328.595       103.5279 0.000000       0.000000 1328.595       103.5279 ?        ?        212.5249 8.322181 0.000000       8.322181 
1 1 1 -8  21 6  o 260.6121 8.158969 1996.724       124.5504 0.000000       0.000000 1996.724       124.5504 ?        ?        260.6121 8.158969 0.000000       8.158969 
1 1 1 -8  21 7  o 272.9118 8.176006 2189.623       130.7146 0.000000       0.000000 2189.623       130.7146 ?        ?        272.9118 8.176006 0.000000       8.176006 
1 1 1 -8  21 8  o 411.0201 8.706224 4963.633       209.8667 0.000000       0.000000 4963.633       209.8667 ?        ?        411.0201 8.706224 0.000000       8.706224 
1 1 1 -8  21 9  o 347.4071 8.109269 3545.510       165.2232 0.000000       0.000000 3545.510       165.2232 ?        ?        347.4071 8.109269 0.000000       8.109269 
1 1 1 -8  21 10 o 162.9604 8.644642 782.5938       82.32339 0.000000       0.000000 782.5938       82.32339 ?        ?        162.9604 8.644642 0.000000       8.644642 
1 1 1 -8  21 11 o 170.9779 30.72919 906.6824       296.8094 0.000000       0.000000 906.6824       296.8094 ?        ?        170.9779 30.72919 0.000000       30.72919 
1 1 1 -8  21 12 o 80.75536 21.77082 200.7685       105.4380 0.000000       0.000000 200.7685       105.4380 ?        ?        80.75536 21.77082 0.000000       21.77082 
1 1 1 -8  21 13 o 368.4208 8.155204 3989.560       176.2096 0.000000       0.000000 3989.560       176.2096 ?        ?        368.4208 8.155204 0.000000       8.155204 
1 1 1 -8  21 14 o 304.9944 8.754683 2737.801       156.4347 0.000000       0.000000 2737.801       156.4347 ?        ?        304.9944 8.754683 0.000000       8.754683 
1 1 1 -8  21 15 o 240.9865 8.521141 1709.978       120.2422 0.000000       0.000000 1709.978       120.2422 ?        ?        240.9865 8.521141 0.000000       8.521141 
1 1 1 -8  21 16 o 184.3217 8.292777 1001.142       89.41560 0.000000       0.000000 1001.142       89.41560 ?        ?        184.3217 8.292777 0.000000       8.292777 
1 1 1 -8  21 17 o 108.6742 12.85112 353.6251       80.32360 0.000000       0.000000 353.6251       80.32360 ?        ?        108.6742 12.85112 0.000000       12.85112 
1 1 1 -8  21 18 o 335.5524 7.983748 3311.790       157.1150 0.000000       0.000000 3311.790       157.1150 ?        ?        335.5524 7.983748 0.000000       7.983748 
1 1 1 -8  21 19 o 31.51588 14.58453 -52.70390      63.67705 0.000000       0.000000 -52.70390      63.67705 ?        ?        31.51588 14.58453 0.000000       14.58453 
1 1 1 -8  21 20 o 541.3668 9.994132 8638.386       317.3125 0.000000       0.000000 8638.386       317.3125 ?        ?        541.3668 9.994132 0.000000       9.994132 
1 1 1 -8  21 21 o 321.9406 7.549105 3048.311       142.5351 2895.493       464.2290 3064.217       149.7692 307.9040 25.94918 322.7323 7.912792 -14.82828      27.12881 
1 1 1 -8  21 22 o 259.4814 7.823519 1982.443       118.9221 1620.252       423.5297 2013.443       123.9069 226.8929 32.77713 261.4675 8.090030 -34.57457      33.76076 
1 1 1 -8  21 23 o 148.5566 10.90138 654.5381       94.31681 437.7445       503.4541 662.4235       96.01676 127.5080 48.57517 149.4330 11.03377 -21.92503      49.81256 
1 1 1 -8  21 24 o 395.0413 8.161228 4591.951       189.0813 6774.653       719.5974 4430.075       195.9673 471.7730 26.10977 387.9401 8.613278 83.83295       27.49379 
1 1 1 -8  21 25 o 269.8261 10.00365 2149.320       158.0303 1241.288       555.3685 2229.320       164.8448 190.1754 49.36724 274.7635 10.24772 -84.58817      50.41964 
1 1 1 -8  21 26 o 126.0303 12.50100 474.4387       91.18313 -612.4946      511.4614 510.1194       92.66768 79.56783 38.14811 130.7772 12.22381 -51.20941      40.05870 
1 1 1 -8  21 27 o 204.0610 9.021816 1229.705       107.7035 873.8105       460.1303 1250.334       110.7810 159.5023 46.40574 205.7395 9.204459 -46.23715      47.30978 
1 1 1 -8  21 28 o 200.2785 9.384284 1186.017       109.9200 0.000000       0.000000 1186.017       109.9200 ?        ?        200.2785 9.384284 0.000000       9.384284 
1 1 1 -8  21 29 o 67.91660 20.34909 141.5262       87.40987 0.000000       0.000000 141.5262       87.40987 ?        ?        67.91660 20.34909 0.000000       20.34909 
1 1 1 -8  21 30 o 216.2360 8.792214 1382.323       111.2680 1719.480       478.4456 1363.045       114.4047 227.2806 37.17803 214.6568 9.108296 12.62379       38.27750 
1 1 1 -8  21 31 o 191.5391 9.430132 1087.052       105.6060 0.000000       0.000000 1087.052       105.6060 ?        ?        191.5391 9.430132 0.000000       9.430132 
1 1 1 -8  21 32 o 104.2475 14.53118 331.3126       86.43058 379.3496       414.9657 329.1341       88.36864 112.8837 43.81407 103.7857 14.94864 9.097946       46.29400 
1 1 1 -8  21 33 o 161.5446 10.40674 777.9364       98.07110 887.7579       419.4860 771.5869       100.8664 154.2681 44.13549 160.7916 10.75817 -6.523499      45.42774 
1 1 1 -8  21 34 o 300.8114 8.169910 2680.063       143.9991 3148.268       498.4275 2637.424       150.4132 310.6771 27.64371 298.2440 8.608316 12.43314       28.95303 
1 1 1 -8  21 35 o 278.3555 8.275461 2299.820       134.9460 2441.052       496.7018 2288.564       140.2202 265.1114 32.63389 277.5285 8.625414 -12.41711      33.75453 
1 1 1 -8  21 36 o 104.6135 14.56667 339.2213       86.95071 94.83153       458.7073 348.3299       88.55625 90.77272 40.89312 106.0055 14.63428 -15.23274      43.43281 
1 1 1 -8  21 37 o 156.1847 10.81282 735.8671       98.43253 376.1933       443.4100 754.5104       100.9514 102.7487 43.24875 158.1014 10.95520 -55.35268      44.61469 
1 1 1 -8  21 38 o 100.5406 15.78525 319.2752       90.01428 59.59903       433.2256 330.9915       92.02256 84.93476 38.84003 102.3802 15.83669 -17.44541      41.94459 
1 1 1 -8  21 39 o 129.7234 12.45674 517.0834       93.60712 583.6181       127.0900 438.1888       138.3919 135.7901 16.28286 114.4320 21.40788 21.35814       26.89664 
1 1 1 -8  21 40 o 115.9992 13.75761 419.7930       91.77377 416.0729       126.8362 423.8806       132.9553 111.9167 20.06094 112.4182 20.93611 -0.5014648     28.99590 
1 1 1 -8  21 41 o 96.61218 17.12793 304.0231       93.49533 312.9720       130.4993 294.5854       134.0155 94.11163 23.66967 90.70105 24.58410 3.410576       34.12669 
1 1 1 -8  21 42 f 59.38432 21.53295 110.0927       96.64173 8.139787       139.6697 203.7396       133.8595 52.47215 23.16663 75.43218 25.48553 -22.96003      34.44132 
1 1 1 -8  21 43 o 37.65146 17.66923 -76.26505      98.82529 -40.11624      145.2041 -107.4588      134.8857 49.16882 22.48509 42.88037 20.28164 6.288448       30.28076 
1 1 1 -8  21 44 o 146.7119 13.73349 678.9846       116.7937 688.2230       165.0905 669.7280       165.2520 142.0410 20.40272 139.7299 20.79840 2.311081       29.13493 
1 1 1 -8  21 45 o 76.29204 24.07771 214.8835       120.4460 221.5643       176.0241 209.0015       165.1666 76.20627 28.79366 74.65813 27.95929 1.548141       40.13473 
1 1 1 -8  21 46 o 65.56498 24.48318 148.5925       126.4643 381.6134       186.9458 -48.01284      171.7181 95.29407 29.98653 51.63748 23.91504 43.65659       38.35520 
1 1 1 -8  22 1  o 510.0506 8.922118 7644.049       266.8896 7011.141       419.5731 8074.175       345.8876 487.4208 14.69431 523.8918 11.25752 -36.47101      18.51093 
1 1 1 -8  22 2  o 587.8356 12.19855 10171.44       420.5469 0.000000       0.000000 10171.44       420.5469 ?        ?        587.8356 12.19855 0.000000       12.19855 
1 1 1 -8  22 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  22 4  o 173.1152 8.529715 882.6200       86.33382 0.000000       0.000000 882.6200       86.33382 ?        ?        173.1152 8.529715 0.000000       8.529715 
1 1 1 -8  22 5  f 214.5529 8.076436 1354.165       101.4445 0.000000       0.000000 1354.165       101.4445 ?        ?        214.5529 8.076436 0.000000       8.076436 
1 1 1 -8  22 6  o 115.9327 10.62754 398.6623       71.45545 0.000000       0.000000 398.6623       71.45545 ?        ?        115.9327 10.62754 0.000000       10.62754 
1 1 1 -8  22 7  o 226.4052 7.964952 1507.762       105.5949 0.000000       0.000000 1507.762       105.5949 ?        ?        226.4052 7.964952 0.000000       7.964952 
1 1 1 -8  22 8  o 508.1432 9.705004 7593.494       289.2227 0.000000       0.000000 7593.494       289.2227 ?        ?        508.1432 9.705004 0.000000       9.705004 
1 1 1 -8  22 9  o 313.6927 7.671126 2891.013       141.1283 0.000000       0.000000 2891.013       141.1283 ?        ?        313.6927 7.671126 0.000000       7.671126 
1 1 1 -8  22 10 o 126.6481 12.71890 477.5952       93.19357 0.000000       0.000000 477.5952       93.19357 ?        ?        126.6481 12.71890 0.000000       12.71890 
1 1 1 -8  22 11 o 182.8206 8.408434 984.6317       89.91377 0.000000       0.000000 984.6317       89.91377 ?        ?        182.8206 8.408434 0.000000       8.408434 
1 1 1 -8  22 12 o 378.0722 8.299346 4202.333       184.0217 0.000000       0.000000 4202.333       184.0217 ?        ?        378.0722 8.299346 0.000000       8.299346 
1 1 1 -8  22 13 o 394.4536 15.23729 4610.977       351.8331 0.000000       0.000000 4610.977       351.8331 ?        ?        394.4536 15.23729 0.000000       15.23729 
1 1 1 -8  22 14 o 376.8866 9.191936 4179.864       203.1740 0.000000       0.000000 4179.864       203.1740 ?        ?        376.8866 9.191936 0.000000       9.191936 
1 1 1 -8  22 15 o 174.7083 9.521744 901.2393       97.19318 0.000000       0.000000 901.2393       97.19318 ?        ?        174.7083 9.521744 0.000000       9.521744 
1 1 1 -8  22 16 o 184.1058 8.441032 999.3055       90.89843 0.000000       0.000000 999.3055       90.89843 ?        ?        184.1058 8.441032 0.000000       8.441032 
1 1 1 -8  22 17 o 463.0992 8.979463 6313.574       243.8793 0.000000       0.000000 6313.574       243.8793 ?        ?        463.0992 8.979463 0.000000       8.979463 
1 1 1 -8  22 18 o 210.7271 8.422557 1308.869       103.8817 0.000000       0.000000 1308.869       103.8817 ?        ?        210.7271 8.422557 0.000000       8.422557 
1 1 1 -8  22 19 o 318.2293 8.065628 2981.496       150.4107 0.000000       0.000000 2981.496       150.4107 ?        ?        318.2293 8.065628 0.000000       8.065628 
1 1 1 -8  22 20 o 145.2731 10.13466 625.1403       85.80504 0.000000       0.000000 625.1403       85.80504 ?        ?        145.2731 10.13466 0.000000       10.13466 
1 1 1 -8  22 21 o 50.24718 19.30315 51.35311       79.94482 0.000000       0.000000 51.35311       79.94482 ?        ?        50.24718 19.30315 0.000000       19.30315 
1 1 1 -8  22 22 o 246.4380 8.501642 1789.606       122.6903 1392.503       515.3759 1813.463       126.3220 204.6642 44.22958 248.0491 8.696873 -43.38490      45.07651 
1 1 1 -8  22 23 o 376.9592 8.238566 4181.539       182.1363 5635.980       668.7246 4065.001       189.2926 429.8144 26.65993 371.5965 8.685834 58.21790       28.03918 
1 1 1 -8  22 24 o 239.7649 8.660107 1694.742       121.5753 516.7496       541.5898 1757.252       124.7593 134.2777 50.55661 244.1422 8.727275 -109.8645      51.30435 
1 1 1 -8  22 25 o 223.4218 8.783713 1472.540       114.8701 1380.127       550.5167 1476.747       117.4555 200.8312 47.49128 223.7126 8.970444 -22.88144      48.33105 
1 1 1 -8  22 26 o 38.23325 17.25727 -41.46047      82.14610 375.3262       501.4653 -52.95309      83.27096 121.5985 47.88031 37.39552 17.07312 84.20303       50.83321 
1 1 1 -8  22 27 o 328.1565 8.248558 3174.726       158.6226 3809.832       593.9815 3125.955       164.6005 349.1682 29.27527 325.5425 8.628911 23.62570       30.52048 
1 1 1 -8  22 28 o 142.0512 11.53024 601.6149       95.23287 1109.087       530.2947 584.7032       96.80671 175.1594 49.46185 139.9505 11.90749 35.20883       50.87497 
1 1 1 -8  22 29 o 266.2702 8.622844 2094.185       134.4778 0.000000       0.000000 2094.185       134.4778 ?        ?        266.2702 8.622844 0.000000       8.622844 
1 1 1 -8  22 30 o 83.95394 18.34086 220.6885       87.77300 0.000000       0.000000 220.6885       87.77300 ?        ?        83.95394 18.34086 0.000000       18.34086 
1 1 1 -8  22 31 o 70.59798 19.95210 156.2091       86.25209 1136.088       480.3539 123.5637       87.67710 175.8870 46.03848 64.07966 20.57957 111.8074       50.42876 
1 1 1 -8  22 32 o 201.0338 9.196853 1198.869       108.1451 1199.117       513.7244 1198.858       110.6240 176.6898 48.23384 200.9785 9.411464 -24.28870      49.14346 
1 1 1 -8  22 33 o 137.1037 11.25505 564.1224       89.70367 299.2826       460.8385 574.5524       91.45296 106.2918 44.37100 138.3405 11.37224 -32.04868      45.80517 
1 1 1 -8  22 34 o 122.2114 12.19237 452.4187       86.22277 505.1978       410.7964 449.9864       88.18718 115.9171 43.94404 121.7726 12.52672 -5.855484      45.69461 
1 1 1 -8  22 35 o 43.64901 18.33627 16.11564       79.45624 -838.5746      421.6171 47.58827       80.90594 59.75679 29.80230 48.63073 19.20629 11.12607       35.45502 
1 1 1 -8  22 36 o 128.4078 12.68913 503.6111       94.31153 1062.237       470.0760 480.1819       96.26897 152.8537 47.46874 125.1040 13.32578 27.74963       49.30373 
1 1 1 -8  22 37 o 78.45176 19.37565 202.3675       88.61347 833.5206       435.9433 175.1656       90.50290 133.9639 45.97884 72.83051 20.38684 61.13338       50.29590 
1 1 1 -8  22 38 o 220.5727 9.143870 1458.248       118.0292 1813.292       485.2704 1435.924       121.6834 208.6126 41.12617 218.6818 9.510595 -10.06917      42.21153 
1 1 1 -8  22 39 o 111.6200 14.14557 389.9921       90.52396 467.9611       125.2834 304.8173       130.9447 119.9901 18.38834 93.37727 23.83372 26.61283       30.10278 
1 1 1 -8  22 40 o 178.9867 9.980309 969.2259       104.3499 956.4455       141.8659 984.2918       154.0295 175.2964 13.91327 177.0446 14.97472 -1.748199      20.44068 
1 1 1 -8  22 41 o 77.93710 20.37888 208.4149       94.18375 294.9824       131.5058 117.2495       134.9530 90.55048 24.27082 63.56948 24.89627 26.98100       34.76920 
1 1 1 -8  22 42 o 57.87733 21.54215 101.6583       97.75003 189.5927       136.9570 10.35151       139.5586 72.95395 25.72641 52.41377 23.14840 20.54018       34.60776 
1 1 1 -8  22 43 o 52.44935 21.39436 60.87234       103.8676 202.4741       146.6687 -81.59129      147.1144 74.46409 26.58664 46.52522 21.74438 27.93887       34.34629 
1 1 1 -8  22 44 o 76.22607 23.44989 212.3244       115.0357 267.0037       163.5261 158.7556       161.8569 82.34023 28.16327 68.79266 27.16667 13.54757       39.13052 
1 1 1 -8  22 45 o 169.0853 13.08936 898.2258       128.7899 865.6516       177.1073 934.7819       187.6200 160.0417 19.25553 165.8992 19.66548 -5.857422      27.52283 
1 1 1 -8  23 1  f 285.6000 7.633571 2397.774       127.7459 1976.984       276.6827 2511.777       144.0148 257.6971 18.42885 292.2393 8.411431 -34.54224      20.25771 
1 1 1 -8  23 2  o 187.4846 7.882044 1034.506       86.47393 1868.875       287.7473 951.6713       90.66488 250.2195 19.76878 179.7410 8.626031 70.47855       21.56880 
1 1 1 -8  23 3  o 94.84724 12.04108 269.1685       65.47179 891.5638       265.7893 228.9630       67.55337 170.3803 27.53805 87.08197 13.67753 83.29837       30.74767 
1 1 1 -8  23 4  o 262.1831 7.633799 2021.109       117.2555 1865.875       274.9411 2055.620       129.6358 250.1664 18.87892 264.3428 8.372497 -14.17644      20.65217 
1 1 1 -8  23 5  o 385.0003 8.045208 4355.599       181.6556 4958.499       392.3247 4191.069       204.9489 409.1253 16.38393 377.5315 9.256395 31.59378       18.81791 
1 1 1 -8  23 6  o 238.0844 8.265858 1667.956       115.2418 0.000000       0.000000 1667.956       115.2418 ?        ?        238.0844 8.265858 0.000000       8.265858 
1 1 1 -8  23 7  o 378.3748 9.283768 4210.638       206.0141 0.000000       0.000000 4210.638       206.0141 ?        ?        378.3748 9.283768 0.000000       9.283768 
1 1 1 -8  23 8  o 116.5587 10.68913 403.3258       72.25694 0.000000       0.000000 403.3258       72.25694 ?        ?        116.5587 10.68913 0.000000       10.68913 
1 1 1 -8  23 9  o 62.59158 16.74841 120.0768       62.68684 0.000000       0.000000 120.0768       62.68684 ?        ?        62.59158 16.74841 0.000000       16.74841 
1 1 1 -8  23 10 o 119.8638 10.25689 426.0584       71.41081 0.000000       0.000000 426.0584       71.41081 ?        ?        119.8638 10.25689 0.000000       10.25689 
1 1 1 -8  23 11 o 350.3408 9.995207 3616.451       205.1582 0.000000       0.000000 3616.451       205.1582 ?        ?        350.3408 9.995207 0.000000       9.995207 
1 1 1 -8  23 12 o 125.0496 38.74823 490.6960       313.4210 0.000000       0.000000 490.6960       313.4210 ?        ?        125.0496 38.74823 0.000000       38.74823 
1 1 1 -8  23 13 o 251.2870 7.971111 1858.662       117.3248 0.000000       0.000000 1858.662       117.3248 ?        ?        251.2870 7.971111 0.000000       7.971111 
1 1 1 -8  23 14 o 364.3939 9.085869 3908.584       194.1727 0.000000       0.000000 3908.584       194.1727 ?        ?        364.3939 9.085869 0.000000       9.085869 
1 1 1 -8  23 15 f 328.4887 8.965975 3178.808       172.5687 0.000000       0.000000 3178.808       172.5687 ?        ?        328.4887 8.965975 0.000000       8.965975 
1 1 1 -8  23 16 o 486.6981 10.93435 6987.415       312.1067 0.000000       0.000000 6987.415       312.1067 ?        ?        486.6981 10.93435 0.000000       10.93435 
1 1 1 -8  23 17 o 320.7704 8.125743 3029.399       152.7419 0.000000       0.000000 3029.399       152.7419 ?        ?        320.7704 8.125743 0.000000       8.125743 
1 1 1 -8  23 18 o 165.1289 9.885277 806.4745       95.29494 0.000000       0.000000 806.4745       95.29494 ?        ?        165.1289 9.885277 0.000000       9.885277 
1 1 1 -8  23 19 o 119.5856 12.09645 426.7408       83.67209 0.000000       0.000000 426.7408       83.67209 ?        ?        119.5856 12.09645 0.000000       12.09645 
1 1 1 -8  23 20 o 563.0804 10.52356 9350.561       347.5231 0.000000       0.000000 9350.561       347.5231 ?        ?        563.0804 10.52356 0.000000       10.52356 
1 1 1 -8  23 21 o 357.5652 8.649194 3763.558       181.3767 0.000000       0.000000 3763.558       181.3767 ?        ?        357.5652 8.649194 0.000000       8.649194 
1 1 1 -8  23 22 o 179.4948 10.39764 953.2354       108.9868 0.000000       0.000000 953.2354       108.9868 ?        ?        179.4948 10.39764 0.000000       10.39764 
1 1 1 -8  23 23 o 410.7379 8.979774 4968.850       216.3121 0.000000       0.000000 4968.850       216.3121 ?        ?        410.7379 8.979774 0.000000       8.979774 
1 1 1 -8  23 24 o 298.9731 8.270919 2633.606       144.8835 2224.735       586.0185 2660.225       149.5254 261.6837 39.40567 300.4424 8.494530 -38.75864      40.31084 
1 1 1 -8  23 25 o 233.6315 8.691281 1610.480       118.8798 1966.879       531.1117 1591.682       121.9746 245.8268 38.06847 232.2152 8.973177 13.61157       39.11171 
1 1 1 -8  23 26 o 416.5482 9.902460 5123.024       241.9129 5491.695       642.5474 5062.137       261.1264 422.1164 26.08248 413.6702 10.77248 8.446228       28.21953 
1 1 1 -8  23 27 o 330.3045 8.432463 3218.994       163.2165 2844.988       578.4946 3251.341       170.1283 297.1816 33.79086 331.8835 8.748210 -34.70184      34.90491 
1 1 1 -8  23 28 o 348.2489 8.294416 3576.829       169.4050 4891.042       631.2519 3474.835       175.8558 395.3857 27.39204 343.0281 8.748446 52.35751       28.75516 
1 1 1 -8  23 29 o 115.1144 13.60021 400.1967       90.04671 2151.688       543.6831 350.7962       91.30775 253.5073 37.71526 107.3521 14.90408 146.1552       40.55333 
1 1 1 -8  23 30 o 88.69456 18.30566 246.3555       92.06248 1771.758       561.2092 204.1716       93.32677 222.8014 44.50772 80.35521 19.90694 142.4462       48.75678 
1 1 1 -8  23 31 f 52.07625 21.96135 18.35291       114.6807 246.0833       479.8788 4.559316       118.1027 106.6895 44.95461 51.24051 21.96982 55.44902       50.03588 
1 1 1 -8  23 32 o 263.5318 8.369360 2057.120       129.1888 2027.655       521.7446 2059.044       133.3410 239.5381 38.43903 263.5692 8.637849 -24.03111      39.39761 
1 1 1 -8  23 33 o 137.3359 11.10057 567.0487       88.64736 922.6508       477.2753 554.3428       90.21718 148.2841 48.04981 135.6741 11.44476 12.60999       49.39400 
1 1 1 -8  23 34 o 99.46111 15.51752 308.7372       87.56245 97.98570       464.9983 316.4851       89.15746 91.99068 41.32987 100.6938 15.60180 -8.703087      44.17662 
1 1 1 -8  23 35 o 157.5806 10.67769 747.7849       98.09752 394.5056       492.5654 762.3758       100.1028 105.7037 45.08246 159.0716 10.79401 -53.36796      46.35665 
1 1 1 -8  23 36 o 66.77444 20.75169 144.5145       89.81999 236.6034       448.5533 140.6678       91.67680 94.71175 41.67763 66.07925 21.02498 28.63250       46.68056 
1 1 1 -8  23 37 o 112.3116 14.68019 394.2672       94.38336 367.7358       473.7482 395.3638       96.31413 99.89012 43.41669 112.3239 14.99491 -12.43378      45.93317 
1 1 1 -8  23 38 o 219.5548 9.457039 1449.453       121.4868 1520.098       466.2648 1444.308       125.8331 183.7092 43.88056 218.9500 9.824428 -35.24080      44.96691 
1 1 1 -8  23 39 o 194.2724 8.975340 1134.191       101.9852 1102.469       136.8497 1173.814       152.9469 189.4783 12.38283 194.7382 13.47489 -5.259888      18.30047 
1 1 1 -8  23 40 o 145.8226 11.72157 653.4265       99.40086 707.5656       138.5573 596.0164       142.6816 148.8504 16.12933 134.7838 18.54084 14.06657       24.57475 
1 1 1 -8  23 41 o 60.36975 22.06695 114.5353       101.7823 132.0950       140.6029 95.20263       147.5305 65.53227 25.48467 61.82378 25.38988 3.708492       35.97380 
1 1 1 -8  23 42 o 100.9733 18.10789 339.6984       103.2927 350.1542       137.5051 326.1570       156.4840 98.21160 24.06471 92.29546 27.12122 5.916138       36.25838 
1 1 1 -8  23 43 o 67.91005 22.93710 162.4300       108.4272 213.9084       148.5203 103.6827       158.6599 75.60072 26.77851 62.85065 26.11963 12.75007       37.40753 
1 1 1 -8  23 44 o 183.3053 11.99412 1043.030       128.2336 1110.457       173.5722 962.0010       190.2760 185.1078 16.14993 168.5349 19.61680 16.57292       25.40944 
1 1 1 -8  24 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  24 2  o 376.3388 7.912212 4162.403       174.6334 5144.112       394.4747 3923.108       194.7576 416.5982 16.17623 365.2309 9.092357 51.36731       18.55644 
1 1 1 -8  24 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  24 4  o 198.6386 8.509354 1162.206       98.90160 0.000000       0.000000 1162.206       98.90160 ?        ?        198.6386 8.509354 0.000000       8.509354 
1 1 1 -8  24 5  o 234.8648 7.507792 1622.579       103.2815 2211.783       321.6668 1554.854       109.0558 271.8358 20.32376 229.8464 8.102901 41.98946       21.87949 
1 1 1 -8  24 6  o 192.6345 7.963274 1092.619       89.77158 1017.414       279.9355 1101.239       94.77721 181.9501 27.05555 193.3522 8.377919 -11.40210      28.32300 
1 1 1 -8  24 7  o 103.8277 12.06334 322.1081       72.09071 0.000000       0.000000 322.1081       72.09071 ?        ?        103.8277 12.06334 0.000000       12.06334 
1 1 1 -8  24 8  o 147.9235 9.508524 646.5995       82.05304 0.000000       0.000000 646.5995       82.05304 ?        ?        147.9235 9.508524 0.000000       9.508524 
1 1 1 -8  24 9  o 159.5057 9.005136 750.9222       83.89761 0.000000       0.000000 750.9222       83.89761 ?        ?        159.5057 9.005136 0.000000       9.005136 
1 1 1 -8  24 10 o 135.9697 9.871017 547.2213       78.17846 0.000000       0.000000 547.2213       78.17846 ?        ?        135.9697 9.871017 0.000000       9.871017 
1 1 1 -8  24 11 o 123.5457 39.10585 477.8958       317.5088 0.000000       0.000000 477.8958       317.5088 ?        ?        123.5457 39.10585 0.000000       39.10585 
1 1 1 -8  24 12 o 150.3673 9.612157 668.5693       84.32277 0.000000       0.000000 668.5693       84.32277 ?        ?        150.3673 9.612157 0.000000       9.612157 
1 1 1 -8  24 13 o 209.8432 8.166996 1297.360       100.3177 0.000000       0.000000 1297.360       100.3177 ?        ?        209.8432 8.166996 0.000000       8.166996 
1 1 1 -8  24 14 o 263.9769 8.594678 2053.037       132.8822 0.000000       0.000000 2053.037       132.8822 ?        ?        263.9769 8.594678 0.000000       8.594678 
1 1 1 -8  24 15 o 364.8581 9.378600 3923.748       200.5175 0.000000       0.000000 3923.748       200.5175 ?        ?        364.8581 9.378600 0.000000       9.378600 
1 1 1 -8  24 16 o 327.0121 9.218900 3152.042       176.6281 0.000000       0.000000 3152.042       176.6281 ?        ?        327.0121 9.218900 0.000000       9.218900 
1 1 1 -8  24 17 o 328.1953 8.491878 3172.474       163.3133 0.000000       0.000000 3172.474       163.3133 ?        ?        328.1953 8.491878 0.000000       8.491878 
1 1 1 -8  24 18 o 143.5617 11.24971 611.9722       93.96153 0.000000       0.000000 611.9722       93.96153 ?        ?        143.5617 11.24971 0.000000       11.24971 
1 1 1 -8  24 19 o 221.0826 9.401848 1442.354       121.6258 0.000000       0.000000 1442.354       121.6258 ?        ?        221.0826 9.401848 0.000000       9.401848 
1 1 1 -8  24 20 o 140.5058 12.79173 588.4741       104.2537 0.000000       0.000000 588.4741       104.2537 ?        ?        140.5058 12.79173 0.000000       12.79173 
1 1 1 -8  24 21 o 78.07301 20.63587 189.2766       95.90162 0.000000       0.000000 189.2766       95.90162 ?        ?        78.07301 20.63587 0.000000       20.63587 
1 1 1 -8  24 22 o 265.1971 9.004717 2073.961       139.8488 0.000000       0.000000 2073.961       139.8488 ?        ?        265.1971 9.004717 0.000000       9.004717 
1 1 1 -8  24 23 o 299.9951 8.870260 2653.788       155.8920 0.000000       0.000000 2653.788       155.8920 ?        ?        299.9951 8.870260 0.000000       8.870260 
1 1 1 -8  24 24 o 419.5817 9.143316 5190.243       224.9939 0.000000       0.000000 5190.243       224.9939 ?        ?        419.5817 9.143316 0.000000       9.143316 
1 1 1 -8  24 25 o 261.0022 8.680454 2010.517       132.6883 1474.263       581.3892 2039.984       136.2851 203.9335 49.18435 262.8763 8.852509 -58.94276      49.97466 
1 1 1 -8  24 26 o 222.7986 11.32824 1473.893       147.5359 750.9229       552.5374 1529.396       153.0945 146.5572 51.67424 226.9121 11.54198 -80.35489      52.94756 
1 1 1 -8  24 27 o 184.7935 9.979962 1012.621       107.7585 183.6833       523.6002 1049.284       110.1157 109.1884 46.52208 188.1105 10.01739 -78.92216      47.58836 
1 1 1 -8  24 28 o 260.4742 8.576488 2004.780       130.8375 2505.409       559.2694 1975.794       134.5718 275.7325 35.40031 258.5092 8.889436 17.22336       36.49937 
1 1 1 -8  24 29 o 178.6359 10.41840 948.8109       108.6754 0.000000       0.000000 948.8109       108.6754 ?        ?        178.6359 10.41840 0.000000       10.41840 
1 1 1 -8  24 30 o 65.08375 21.39793 126.8600       94.48419 0.000000       0.000000 126.8600       94.48419 ?        ?        65.08375 21.39793 0.000000       21.39793 
1 1 1 -8  24 31 o 233.6675 12.06231 1635.080       164.7430 0.000000       0.000000 1635.080       164.7430 ?        ?        233.6675 12.06231 0.000000       12.06231 
1 1 1 -8  24 32 o 48.27352 19.03537 45.51032       79.36033 275.3416       488.7948 39.28783       80.42746 104.3154 44.71000 47.50261 19.02182 56.81275       48.58821 
1 1 1 -8  24 33 o 71.66170 19.27515 165.9725       82.76460 -20.52184      472.4687 171.8765       84.06445 87.69921 40.27411 72.88179 19.34680 14.81742       44.68000 
1 1 1 -8  24 34 o 37.13923 16.91587 -41.95033      81.12468 -366.8841      476.8748 -32.26652      82.32466 75.26413 36.27683 38.44452 17.32120 36.81961       40.19991 
1 1 1 -8  24 35 o 112.3063 14.52707 391.8092       93.44311 634.5842       521.7195 383.7631       94.97894 117.5448 47.94817 110.9389 14.98046 6.605919       50.23387 
1 1 1 -8  24 36 o 151.1684 11.69404 695.1321       102.8699 621.7690       511.1161 698.2294       105.0190 114.2024 47.11647 151.3995 11.92366 -37.19715      48.60181 
1 1 1 -8  24 37 o 48.07919 19.74313 38.28778       89.19347 240.7348       471.7666 30.78313       90.83161 91.90657 41.43155 47.36704 19.73028 44.53953       45.88962 
1 1 1 -8  24 38 o 276.0682 8.852764 2285.604       143.1476 1554.367       555.2737 2337.661       148.1553 167.8951 51.49636 279.0475 9.064947 -111.1524      52.28812 
1 1 1 -8  24 39 o 135.6888 12.30382 568.2739       96.84842 605.0724       130.3999 523.0046       144.6317 137.4104 16.51146 124.9269 20.44717 12.48351       26.28146 
1 1 1 -8  24 40 o 41.28963 18.71052 -31.69506      97.69876 -141.1503      128.0406 120.8382       151.1513 39.77132 19.07306 65.11417 26.07596 -25.34286      32.30693 
1 1 1 -8  24 41 o 41.55312 18.71537 -23.46694      96.01672 -47.75726      127.5548 8.292622       145.8537 45.62147 20.94165 53.05853 23.53729 -7.437061      31.50486 
1 1 1 -8  24 42 o 81.39403 21.78854 235.7135       106.0659 193.2100       137.2391 298.7574       167.1428 72.90662 25.74908 86.96913 28.45266 -14.06252      38.37407 
1 1 1 -8  24 43 o 50.30255 21.68951 30.02961       116.3452 32.02077       154.3118 27.40672       177.1075 55.57783 24.45150 57.81821 25.77525 -2.240379      35.52801 
1 1 1 -8  24 44 o 78.43226 24.03809 229.7380       121.0205 246.6236       160.7370 207.6383       183.8875 79.06012 27.87131 74.21120 29.06229 4.848915       40.26694 
1 1 1 -8  25 1  o 297.3247 7.644448 2600.050       133.1887 2616.152       288.4977 2595.689       150.1469 296.5975 16.65221 296.9533 8.630556 -0.3558350     18.75587 
1 1 1 -8  25 2  o 495.7415 10.22736 7236.962       297.3508 7709.270       484.4357 6951.442       376.6534 509.7950 16.22345 484.9964 13.25440 24.79865       20.94946 
1 1 1 -8  25 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  25 4  o 360.7808 7.910782 3826.693       167.3838 4265.576       369.4796 3713.360       187.7558 378.8859 16.66847 355.1479 9.021635 23.73801       18.95330 
1 1 1 -8  25 5  o 239.5599 8.406127 1689.887       117.9199 0.000000       0.000000 1689.887       117.9199 ?        ?        239.5599 8.406127 0.000000       8.406127 
1 1 1 -8  25 6  o 229.8865 7.901254 1555.638       106.3688 1838.717       303.2761 1515.931       113.5841 247.2228 21.11904 226.8554 8.552564 20.36739       22.78509 
1 1 1 -8  25 7  o 344.1224 7.865161 3481.934       158.7344 3506.532       358.3854 3475.931       177.0477 342.9663 17.87930 343.5986 8.793167 -0.6322327     19.92459 
1 1 1 -8  25 8  o 250.8974 7.816004 1852.789       114.8686 1700.974       309.4838 1877.045       123.7051 237.1545 22.52128 252.4680 8.366252 -15.31349      24.02504 
1 1 1 -8  25 9  f 126.0186 10.40683 471.1681       76.22865 0.000000       0.000000 471.1681       76.22865 ?        ?        126.0186 10.40683 0.000000       10.40683 
1 1 1 -8  25 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  25 11 o 358.1759 22.67389 3870.890       473.8471 0.000000       0.000000 3870.890       473.8471 ?        ?        358.1759 22.67389 0.000000       22.67389 
1 1 1 -8  25 12 o 276.2378 7.949124 2246.531       128.6474 0.000000       0.000000 2246.531       128.6474 ?        ?        276.2378 7.949124 0.000000       7.949124 
1 1 1 -8  25 13 o 364.9390 8.370627 3919.396       179.1549 0.000000       0.000000 3919.396       179.1549 ?        ?        364.9390 8.370627 0.000000       8.370627 
1 1 1 -8  25 14 o 201.7391 9.145195 1201.023       107.9202 0.000000       0.000000 1201.023       107.9202 ?        ?        201.7391 9.145195 0.000000       9.145195 
1 1 1 -8  25 15 o 194.0479 9.162986 1111.430       103.9844 0.000000       0.000000 1111.430       103.9844 ?        ?        194.0479 9.162986 0.000000       9.162986 
1 1 1 -8  25 16 o 275.4959 8.279148 2235.511       133.6159 0.000000       0.000000 2235.511       133.6159 ?        ?        275.4959 8.279148 0.000000       8.279148 
1 1 1 -8  25 17 o 175.6769 10.36416 913.1132       106.3079 0.000000       0.000000 913.1132       106.3079 ?        ?        175.6769 10.36416 0.000000       10.36416 
1 1 1 -8  25 18 o 219.1564 9.724028 1417.989       124.6718 0.000000       0.000000 1417.989       124.6718 ?        ?        219.1564 9.724028 0.000000       9.724028 
1 1 1 -8  25 19 o 299.9847 11.53111 2660.991       202.4935 0.000000       0.000000 2660.991       202.4935 ?        ?        299.9847 11.53111 0.000000       11.53111 
1 1 1 -8  25 20 f 392.0672 9.002210 4527.216       206.9951 0.000000       0.000000 4527.216       206.9951 ?        ?        392.0672 9.002210 0.000000       9.002210 
1 1 1 -8  25 21 o 144.5232 11.70063 621.1923       98.32656 0.000000       0.000000 621.1923       98.32656 ?        ?        144.5232 11.70063 0.000000       11.70063 
1 1 1 -8  25 22 o 422.9215 9.190885 5272.134       227.9647 0.000000       0.000000 5272.134       227.9647 ?        ?        422.9215 9.190885 0.000000       9.190885 
1 1 1 -8  25 23 o 263.5281 9.142612 2050.100       141.0878 0.000000       0.000000 2050.100       141.0878 ?        ?        263.5281 9.142612 0.000000       9.142612 
1 1 1 -8  25 24 o 132.7554 13.87497 529.5176       106.4344 0.000000       0.000000 529.5176       106.4344 ?        ?        132.7554 13.87497 0.000000       13.87497 
1 1 1 -8  25 25 o 381.8507 8.971855 4302.972       200.9215 0.000000       0.000000 4302.972       200.9215 ?        ?        381.8507 8.971855 0.000000       8.971855 
1 1 1 -8  25 26 o 317.9405 10.65617 2996.079       198.4190 0.000000       0.000000 2996.079       198.4190 ?        ?        317.9405 10.65617 0.000000       10.65617 
1 1 1 -8  25 27 o 333.5390 8.459754 3285.369       165.3500 3436.110       611.3350 3273.471       171.7516 326.0642 32.39681 332.8361 8.806464 -6.771942      33.57242 
1 1 1 -8  25 28 o 223.4322 11.99640 1488.789       156.6217 2024.562       539.1978 1439.418       163.6789 243.2905 39.11522 219.4405 12.77341 23.85001       41.14803 
1 1 1 -8  25 29 o 158.5095 11.24245 750.6699       103.8339 874.2560       551.4428 746.1271       105.7251 149.3651 51.69349 157.9617 11.49094 -8.596649      52.95525 
1 1 1 -8  25 30 o 158.0596 11.15882 747.7881       102.7754 625.3862       536.0857 752.4586       104.7178 129.2004 49.89380 158.5024 11.34001 -29.30196      51.16627 
1 1 1 -8  25 31 o 128.4311 16.84301 511.7497       123.8102 0.000000       0.000000 511.7497       123.8102 ?        ?        128.4311 16.84301 0.000000       16.84301 
1 1 1 -8  25 32 o 71.72801 22.63475 165.2785       106.4450 1381.222       473.2849 100.4955       109.2438 185.2856 44.17888 61.16298 22.77183 124.1226       49.70242 
1 1 1 -8  25 33 o 108.1219 13.69666 360.1932       84.90594 711.5457       472.2670 348.4573       86.31230 126.1546 47.27106 106.1233 14.22592 20.03131       49.36527 
1 1 1 -8  25 34 o 114.1239 13.67187 401.8312       89.68811 307.7898       512.9091 404.7973       91.09155 100.6603 44.42035 114.4773 13.84896 -13.81693      46.52914 
1 1 1 -8  25 35 o 52.94009 20.38554 68.77359       89.30824 -113.3599      514.5995 74.42966       90.68436 83.16344 39.41736 54.03823 20.60870 29.12521       44.47974 
1 1 1 -8  25 36 f 128.7374 13.52509 513.4433       100.5931 479.7287       523.6164 514.7353       102.5025 103.9729 45.41055 128.7687 13.78729 -24.79581      47.45742 
1 1 1 -8  25 37 o 80.28166 19.86124 216.6800       92.99379 186.9115       528.3137 217.6319       94.46877 90.33760 41.87637 80.35900 20.09822 9.978600       46.44964 
1 1 1 -8  25 38 o 184.0392 10.60147 1029.010       113.9423 695.2861       522.2836 1045.687       116.7546 110.3729 46.72223 185.4181 10.78324 -75.04522      47.95045 
1 1 1 -8  25 39 o 137.6890 14.49410 598.1945       115.2884 -418.2332      560.0521 643.1720       117.8116 72.73084 35.93657 142.9859 14.23799 -70.25503      38.65434 
1 1 1 -8  25 40 o 181.2003 10.87375 1004.705       115.0234 1006.698       158.8611 1002.508       166.7616 177.7457 15.39092 176.5427 16.28990 1.202972       22.41074 
1 1 1 -8  25 41 o 71.96732 22.83261 184.3198       108.1840 263.4915       151.6128 102.1931       154.4162 83.00562 27.09502 62.65656 25.87855 20.34906       37.46784 
1 1 1 -8  25 42 o 89.56546 21.71408 285.6129       112.8630 356.6734       151.0557 195.8116       169.8102 96.69583 26.05390 73.24586 28.13433 23.44997       38.34510 
1 1 1 -8  25 43 o 71.41820 24.05194 186.0856       119.2241 183.4616       158.6368 189.4916       180.7323 71.26405 27.23813 72.47968 28.68055 -1.215637      39.55363 
1 1 1 -8  26 1  o 243.2554 8.652926 1743.241       123.2491 0.000000       0.000000 1743.241       123.2491 ?        ?        243.2554 8.652926 0.000000       8.652926 
1 1 1 -8  26 2  o 247.6408 10.58949 1810.735       153.4418 1659.740       264.2079 1887.583       188.4865 235.1664 19.32708 252.4621 12.77164 -17.29572      23.16572 
1 1 1 -8  26 3  o 400.4235 8.244800 4716.428       193.6200 5980.691       441.4558 4415.302       215.4481 448.4070 16.81646 387.2348 9.486756 61.17218       19.30782 
1 1 1 -8  26 4  o 169.9162 9.443311 852.7217       93.73415 0.000000       0.000000 852.7217       93.73415 ?        ?        169.9162 9.443311 0.000000       9.443311 
1 1 1 -8  26 5  o 239.0836 23.44531 1734.652       324.5204 1734.652       324.5204 0.000000       0.000000 239.0836 23.44531 ?        ?        0.000000       23.44531 
1 1 1 -8  26 6  o 225.5024 8.302867 1498.073       109.6195 2115.575       325.2210 1418.927       116.4328 265.0102 21.09908 219.3572 9.070075 45.65306       22.96600 
1 1 1 -8  26 7  f 173.6101 9.398594 890.1867       95.33801 189.5692       313.6605 961.5037       100.0727 96.07207 37.85569 180.4376 9.490034 -84.36552      39.02710 
1 1 1 -8  26 8  o 269.4198 8.739043 2138.742       137.9015 0.000000       0.000000 2138.742       137.9015 ?        ?        269.4198 8.739043 0.000000       8.739043 
1 1 1 -8  26 9  o 132.7559 10.50168 522.8425       81.09861 223.6982       301.0278 546.2534       84.21221 97.70906 37.47741 135.6889 10.66804 -37.97989      38.96618 
1 1 1 -8  26 10 o 97.48286 22.89318 297.1295       128.6373 0.000000       0.000000 297.1295       128.6373 ?        ?        97.48286 22.89318 0.000000       22.89318 
1 1 1 -8  26 11 o 174.7612 13.87149 909.9510       141.0079 0.000000       0.000000 909.9510       141.0079 ?        ?        174.7612 13.87149 0.000000       13.87149 
1 1 1 -8  26 12 o 422.5800 8.801265 5257.471       218.1245 0.000000       0.000000 5257.471       218.1245 ?        ?        422.5800 8.801265 0.000000       8.801265 
1 1 1 -8  26 13 o 205.5090 8.562428 1245.297       102.9736 0.000000       0.000000 1245.297       102.9736 ?        ?        205.5090 8.562428 0.000000       8.562428 
1 1 1 -8  26 14 o 213.8965 9.075958 1349.717       113.5948 0.000000       0.000000 1349.717       113.5948 ?        ?        213.8965 9.075958 0.000000       9.075958 
1 1 1 -8  26 15 o 313.0882 8.473589 2887.144       155.4480 0.000000       0.000000 2887.144       155.4480 ?        ?        313.0882 8.473589 0.000000       8.473589 
1 1 1 -8  26 16 o 77.12366 18.79546 184.5283       84.22572 0.000000       0.000000 184.5283       84.22572 ?        ?        77.12366 18.79546 0.000000       18.79546 
1 1 1 -8  26 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  26 18 o 221.6528 9.788396 1450.787       126.9296 0.000000       0.000000 1450.787       126.9296 ?        ?        221.6528 9.788396 0.000000       9.788396 
1 1 1 -8  26 19 o 288.6727 9.140706 2457.369       154.5568 0.000000       0.000000 2457.369       154.5568 ?        ?        288.6727 9.140706 0.000000       9.140706 
1 1 1 -8  26 20 o 196.6486 10.48525 1144.534       120.4889 0.000000       0.000000 1144.534       120.4889 ?        ?        196.6486 10.48525 0.000000       10.48525 
1 1 1 -8  26 21 o 74.94704 20.80362 174.3535       94.67013 0.000000       0.000000 174.3535       94.67013 ?        ?        74.94704 20.80362 0.000000       20.80362 
1 1 1 -8  26 22 o 446.0407 9.486722 5869.895       248.1654 0.000000       0.000000 5869.895       248.1654 ?        ?        446.0407 9.486722 0.000000       9.486722 
1 1 1 -8  26 23 o 81.39636 20.45350 208.0177       97.50715 0.000000       0.000000 208.0177       97.50715 ?        ?        81.39636 20.45350 0.000000       20.45350 
1 1 1 -8  26 24 o 36.13174 16.92695 -87.47342      90.03532 0.000000       0.000000 -87.47342      90.03532 ?        ?        36.13174 16.92695 0.000000       16.92695 
1 1 1 -8  26 25 o 144.8703 12.34298 627.8243       103.8719 0.000000       0.000000 627.8243       103.8719 ?        ?        144.8703 12.34298 0.000000       12.34298 
1 1 1 -8  26 26 f 249.9240 11.32251 1856.734       165.5282 0.000000       0.000000 1856.734       165.5282 ?        ?        249.9240 11.32251 0.000000       11.32251 
1 1 1 -8  26 27 o 259.1433 9.366710 1989.116       142.1224 0.000000       0.000000 1989.116       142.1224 ?        ?        259.1433 9.366710 0.000000       9.366710 
1 1 1 -8  26 28 o 60.22030 21.84897 96.23393       99.51867 0.000000       0.000000 96.23393       99.51867 ?        ?        60.22030 21.84897 0.000000       21.84897 
1 1 1 -8  26 29 o 214.5492 9.753356 1369.155       122.4036 0.000000       0.000000 1369.155       122.4036 ?        ?        214.5492 9.753356 0.000000       9.753356 
1 1 1 -8  26 30 o 135.8294 12.22915 557.4246       96.37635 0.000000       0.000000 557.4246       96.37635 ?        ?        135.8294 12.22915 0.000000       12.22915 
1 1 1 -8  26 31 o 42.24974 19.39621 -64.16705      109.4673 0.000000       0.000000 -64.16705      109.4673 ?        ?        42.24974 19.39621 0.000000       19.39621 
1 1 1 -8  26 32 o 32.68189 15.43662 -80.69926      77.63680 616.5049       508.8020 -97.31918      78.55669 119.1867 47.80372 31.64875 15.11324 87.53793       50.13587 
1 1 1 -8  26 33 o 213.7511 9.046257 1365.084       113.1475 2085.373       558.5238 1334.258       115.5433 224.3583 44.02018 211.1855 9.352086 13.17284       45.00264 
1 1 1 -8  26 34 o 165.7414 10.58097 829.1213       102.3135 761.5948       487.5128 832.2325       104.6440 124.3976 47.69872 165.9503 10.81076 -41.55264      48.90849 
1 1 1 -8  26 35 o 139.1095 12.36392 593.3945       99.82058 451.0743       473.8859 600.0025       102.1116 102.7688 44.03450 139.7754 12.59127 -37.00663      45.79932 
1 1 1 -8  26 36 o 96.10699 17.70528 300.8819       96.11890 -148.7041      492.9012 318.6544       98.00032 78.19062 37.47768 99.07289 17.50649 -20.88227      41.36488 
1 1 1 -8  26 37 o 98.24474 17.35260 314.5083       96.32753 -88.39606      525.6085 328.5111       97.98715 80.30756 38.54726 100.5146 17.24277 -20.20699      42.22800 
1 1 1 -8  26 38 o 154.0502 12.76421 735.6941       114.2863 880.0719       515.8155 728.2406       117.1992 118.3969 47.90395 152.9855 13.19114 -34.58862      49.68697 
1 1 1 -8  26 39 o 69.02368 22.66547 165.6252       106.0225 -578.8069      549.0829 194.4554       108.0560 68.35390 34.07728 74.11476 22.71392 -5.760857      40.95343 
1 1 1 -8  26 40 o 68.89008 21.96599 165.9045       100.0236 324.8191       137.1408 -14.70606      146.2031 93.98891 24.59824 51.13018 23.05570 42.85874       33.71408 
1 1 1 -8  26 41 f 119.5919 16.45937 467.5872       112.3839 646.4293       153.0783 258.4936       165.5195 138.2796 19.40942 81.16535 28.30779 57.11420       34.32283 
1 1 1 -8  26 42 o 69.78852 23.47799 175.2081       113.6030 9.570295       152.5074 381.6882       170.2749 53.43996 23.86449 97.86617 28.15728 -44.42620      36.90998 
1 1 1 -8  27 1  o 192.8218 8.722990 1096.546       98.38885 638.2278       248.4290 1181.807       107.1504 141.7793 30.76299 200.1360 9.153121 -58.35670      32.09581 
1 1 1 -8  27 2  o 288.2513 7.966114 2445.935       134.5401 2694.767       300.1402 2383.363       150.5083 300.5259 17.09966 284.3795 9.035730 16.14648       19.34019 
1 1 1 -8  27 3  o 306.3253 7.967798 2762.099       143.0220 3475.567       345.5831 2614.642       157.1080 341.3287 17.32013 297.8728 9.003592 43.45587       19.52054 
1 1 1 -8  27 4  o 499.7714 11.06223 7368.975       324.2384 0.000000       0.000000 7368.975       324.2384 ?        ?        499.7714 11.06223 0.000000       11.06223 
1 1 1 -8  27 5  o 170.4630 10.24534 859.6260       101.9525 0.000000       0.000000 859.6260       101.9525 ?        ?        170.4630 10.24534 0.000000       10.24534 
1 1 1 -8  27 6  o 170.3658 9.583917 857.7515       95.37210 1175.306       339.9286 830.6188       99.36301 193.4617 31.00700 167.5600 10.15895 25.90167       32.62880 
1 1 1 -8  27 7  o 461.5039 17.49941 6352.012       472.7830 6352.012       472.7830 0.000000       0.000000 461.5039 17.49941 ?        ?        0.000000       17.49941 
1 1 1 -8  27 8  o 73.06609 26.13597 140.9153       141.8057 292.0697       329.4942 106.5537       157.0992 105.7912 39.51620 70.48320 27.06401 35.30798       47.89562 
1 1 1 -8  27 9  o 404.7114 8.024498 4818.973       190.4644 4993.292       424.7047 4775.088       213.0948 408.9686 17.74933 402.6879 9.023058 6.280762       19.91116 
1 1 1 -8  27 10 o 282.6387 9.260193 2355.397       153.2906 0.000000       0.000000 2355.397       153.2906 ?        ?        282.6387 9.260193 0.000000       9.260193 
1 1 1 -8  27 11 o 223.8671 8.771309 1477.675       114.9381 0.000000       0.000000 1477.675       114.9381 ?        ?        223.8671 8.771309 0.000000       8.771309 
1 1 1 -8  27 12 o 196.9252 9.319592 1144.768       107.3284 0.000000       0.000000 1144.768       107.3284 ?        ?        196.9252 9.319592 0.000000       9.319592 
1 1 1 -8  27 13 o 345.9184 8.669676 3524.578       175.7457 0.000000       0.000000 3524.578       175.7457 ?        ?        345.9184 8.669676 0.000000       8.669676 
1 1 1 -8  27 14 o 282.5631 8.961842 2353.238       148.3248 0.000000       0.000000 2353.238       148.3248 ?        ?        282.5631 8.961842 0.000000       8.961842 
1 1 1 -8  27 15 o 378.1644 10.22268 4219.250       226.5153 0.000000       0.000000 4219.250       226.5153 ?        ?        378.1644 10.22268 0.000000       10.22268 
1 1 1 -8  27 16 o 300.8137 9.852607 2669.942       173.5853 0.000000       0.000000 2669.942       173.5853 ?        ?        300.8137 9.852607 0.000000       9.852607 
1 1 1 -8  27 17 o 121.6683 14.19312 444.6223       99.37587 0.000000       0.000000 444.6223       99.37587 ?        ?        121.6683 14.19312 0.000000       14.19312 
1 1 1 -8  27 18 o 69.77846 20.73423 148.5566       91.04161 0.000000       0.000000 148.5566       91.04161 ?        ?        69.77846 20.73423 0.000000       20.73423 
1 1 1 -8  27 19 o 86.83290 19.05211 234.4900       94.35234 0.000000       0.000000 234.4900       94.35234 ?        ?        86.83290 19.05211 0.000000       19.05211 
1 1 1 -8  27 20 o 191.9950 10.38415 1091.722       116.4909 0.000000       0.000000 1091.722       116.4909 ?        ?        191.9950 10.38415 0.000000       10.38415 
1 1 1 -8  27 21 o 158.1866 11.60078 744.7437       106.8751 0.000000       0.000000 744.7437       106.8751 ?        ?        158.1866 11.60078 0.000000       11.60078 
1 1 1 -8  27 22 o 139.8232 13.42701 586.4374       108.7538 0.000000       0.000000 586.4374       108.7538 ?        ?        139.8232 13.42701 0.000000       13.42701 
1 1 1 -8  27 23 o 59.23460 21.79949 87.63519       99.59570 0.000000       0.000000 87.63519       99.59570 ?        ?        59.23460 21.79949 0.000000       21.79949 
1 1 1 -8  27 24 o 247.5979 9.536488 1814.643       138.2207 0.000000       0.000000 1814.643       138.2207 ?        ?        247.5979 9.536488 0.000000       9.536488 
1 1 1 -8  27 25 o 130.5616 14.39884 515.2960       108.4249 0.000000       0.000000 515.2960       108.4249 ?        ?        130.5616 14.39884 0.000000       14.39884 
1 1 1 -8  27 26 f 173.7638 14.09235 909.0161       142.3813 0.000000       0.000000 909.0161       142.3813 ?        ?        173.7638 14.09235 0.000000       14.09235 
1 1 1 -8  27 27 o 100.2563 22.29989 322.3838       127.7320 0.000000       0.000000 322.3838       127.7320 ?        ?        100.2563 22.29989 0.000000       22.29989 
1 1 1 -8  27 28 o 110.7322 15.92138 378.3525       100.4275 0.000000       0.000000 378.3525       100.4275 ?        ?        110.7322 15.92138 0.000000       15.92138 
1 1 1 -8  27 29 o 64.62737 21.19605 128.3340       92.73273 0.000000       0.000000 128.3340       92.73273 ?        ?        64.62737 21.19605 0.000000       21.19605 
1 1 1 -8  27 30 o 63.53566 20.74950 125.4157       88.90925 0.000000       0.000000 125.4157       88.90925 ?        ?        63.53566 20.74950 0.000000       20.74950 
1 1 1 -8  27 31 o 153.2930 15.16397 725.6946       134.5439 0.000000       0.000000 725.6946       134.5439 ?        ?        153.2930 15.16397 0.000000       15.16397 
1 1 1 -8  27 32 o 52.82135 19.72761 73.05383       82.11368 955.7464       545.5802 52.59532       83.05981 137.3735 50.93826 49.57067 19.49628 87.80280       54.54182 
1 1 1 -8  27 33 o 86.02745 18.62575 241.5705       91.24473 -227.5282      508.6150 257.1700       92.74944 79.59742 38.13025 88.92696 18.39137 -9.329536      42.33390 
1 1 1 -8  27 34 o 160.9380 11.20494 786.8334       105.0987 62.86151       485.7148 822.3948       107.6490 86.05280 39.98023 164.5410 11.22258 -78.48824      41.52547 
1 1 1 -8  27 35 o 119.5688 14.63871 448.8277       100.5142 -465.1876      498.7610 487.5204       102.6197 70.60340 34.69672 124.8724 14.26824 -54.26900      37.51593 
1 1 1 -8  27 36 o 64.98988 21.19485 140.1994       92.78268 398.5181       478.1921 130.0941       94.58009 96.58366 42.74352 63.18286 21.42198 33.40080       47.81119 
1 1 1 -8  27 37 o 70.31538 21.52875 169.9902       97.10369 331.0456       470.3907 162.8214       99.24126 91.54660 41.31092 68.94323 21.86800 22.60337       46.74186 
1 1 1 -8  27 38 o 128.8740 14.85528 528.0181       110.2265 809.7083       470.5071 511.6603       113.3817 114.8883 46.00716 126.3275 15.63720 -11.43918      48.59198 
1 1 1 -8  27 39 o 45.94563 19.87603 14.45594       98.33705 313.7829       466.0235 0.5068449      100.6023 87.86554 40.21912 44.85316 19.73767 43.01237       44.80127 
1 1 1 -8  27 40 o 89.51759 20.24454 278.3625       103.7847 420.8238       140.0634 104.9051       154.5512 108.6115 22.71999 62.63778 25.88216 45.97367       34.43957 
1 1 1 -8  27 41 o 157.9034 13.72304 788.3113       125.8236 842.6876       177.5554 733.4597       178.3299 157.6238 19.63139 144.9524 21.63890 12.67137       29.21700 
1 1 1 -8  27 42 o 105.9072 20.50742 391.8834       122.7728 598.4575       171.7490 176.0207       175.5679 128.1832 23.71952 70.48320 28.14461 57.70001       36.80672 
1 1 1 -8  28 1  o 258.3548 8.435365 1966.461       127.6404 1703.593       281.6748 2034.388       143.1853 237.7011 20.40251 262.6511 9.310141 -24.94998      22.42635 
1 1 1 -8  28 2  o 139.8666 11.04121 580.7477       89.83529 0.000000       0.000000 580.7477       89.83529 ?        ?        139.8666 11.04121 0.000000       11.04121 
1 1 1 -8  28 3  o 140.4896 10.52647 585.2653       86.10096 625.6895       281.8802 581.1056       90.42249 139.2292 34.65746 139.8979 11.11208 -0.6686401     36.39530 
1 1 1 -8  28 4  o 263.3388 8.474693 2043.124       130.7144 2028.196       313.0720 2046.276       143.8530 259.3636 20.75493 263.4117 9.326510 -4.048035      22.75414 
1 1 1 -8  28 5  o 164.1944 10.62026 798.4097       101.7205 0.000000       0.000000 798.4097       101.7205 ?        ?        164.1944 10.62026 0.000000       10.62026 
1 1 1 -8  28 6  o 150.9279 10.51475 674.9647       92.48991 799.7444       289.3326 660.7626       97.61158 158.4450 32.23473 149.2134 11.23688 9.231552       34.13715 
1 1 1 -8  28 7  o 62.42986 20.11398 113.9016       83.70889 51.25204       300.1107 119.1870       87.16839 83.99348 35.47947 63.79414 20.52282 20.19934       40.98755 
1 1 1 -8  28 8  o 330.6221 8.558873 3219.606       165.8187 3379.004       384.8451 3183.268       183.7503 335.6079 19.63836 328.5730 9.545668 7.034912       21.83540 
1 1 1 -8  28 9  o 83.71893 35.25805 55.95138       294.9525 78.68779       384.1727 23.30666       460.3330 94.97720 40.13172 99.28611 42.97742 -4.308907      58.80148 
1 1 1 -8  28 10 o 115.3235 13.57183 398.9248       90.03703 -353.2082      374.5443 445.0546       92.75701 72.64068 34.18586 121.9662 13.17644 -49.32549      36.63729 
1 1 1 -8  28 11 f 32.90124 15.52109 -86.80145      78.04564 0.000000       0.000000 -86.80145      78.04564 ?        ?        32.90124 15.52109 0.000000       15.52109 
1 1 1 -8  28 12 o 422.1808 10.22919 5254.605       253.2737 6424.391       567.9852 4964.274       282.9638 462.4251 20.99809 409.8289 11.78498 52.59622       24.07915 
1 1 1 -8  28 13 o 214.0963 15.41223 1367.538       192.2247 0.000000       0.000000 1367.538       192.2247 ?        ?        214.0963 15.41223 0.000000       15.41223 
1 1 1 -8  28 14 o 281.6833 9.200552 2339.665       151.7898 0.000000       0.000000 2339.665       151.7898 ?        ?        281.6833 9.200552 0.000000       9.200552 
1 1 1 -8  28 15 o 222.0473 12.95469 1464.033       167.9704 0.000000       0.000000 1464.033       167.9704 ?        ?        222.0473 12.95469 0.000000       12.95469 
1 1 1 -8  28 16 o 118.5798 14.76563 423.7085       100.4681 0.000000       0.000000 423.7085       100.4681 ?        ?        118.5798 14.76563 0.000000       14.76563 
1 1 1 -8  28 17 o 164.4949 12.07361 804.7534       115.6656 0.000000       0.000000 804.7534       115.6656 ?        ?        164.4949 12.07361 0.000000       12.07361 
1 1 1 -8  28 18 o 89.42291 19.95401 249.5592       101.9892 0.000000       0.000000 249.5592       101.9892 ?        ?        89.42291 19.95401 0.000000       19.95401 
1 1 1 -8  28 19 o 236.3572 10.65701 1654.465       147.3453 0.000000       0.000000 1654.465       147.3453 ?        ?        236.3572 10.65701 0.000000       10.65701 
1 1 1 -8  28 20 o 160.7725 12.03961 770.4464       112.6962 0.000000       0.000000 770.4464       112.6962 ?        ?        160.7725 12.03961 0.000000       12.03961 
1 1 1 -8  28 21 o 205.6392 10.21572 1253.462       122.8185 0.000000       0.000000 1253.462       122.8185 ?        ?        205.6392 10.21572 0.000000       10.21572 
1 1 1 -8  28 22 o 127.8839 14.06174 493.2003       103.7262 0.000000       0.000000 493.2003       103.7262 ?        ?        127.8839 14.06174 0.000000       14.06174 
1 1 1 -8  28 23 o 63.65765 22.50448 111.1597       104.8520 0.000000       0.000000 111.1597       104.8520 ?        ?        63.65765 22.50448 0.000000       22.50448 
1 1 1 -8  28 24 o 90.11877 21.22995 257.8065       110.3472 0.000000       0.000000 257.8065       110.3472 ?        ?        90.11877 21.22995 0.000000       21.22995 
1 1 1 -8  28 25 o 189.3943 11.39816 1070.074       126.0195 0.000000       0.000000 1070.074       126.0195 ?        ?        189.3943 11.39816 0.000000       11.39816 
1 1 1 -8  28 26 o 79.72913 21.67199 203.3534       103.9707 0.000000       0.000000 203.3534       103.9707 ?        ?        79.72913 21.67199 0.000000       21.67199 
1 1 1 -8  28 27 o 157.6713 11.96194 747.3352       109.7874 0.000000       0.000000 747.3352       109.7874 ?        ?        157.6713 11.96194 0.000000       11.96194 
1 1 1 -8  28 28 o 43.19239 19.57483 -48.15195      106.9674 0.000000       0.000000 -48.15195      106.9674 ?        ?        43.19239 19.57483 0.000000       19.57483 
1 1 1 -8  28 29 f 201.6012 9.788669 1214.919       115.3897 0.000000       0.000000 1214.919       115.3897 ?        ?        201.6012 9.788669 0.000000       9.788669 
1 1 1 -8  28 30 o 71.03845 20.68257 164.6059       91.37122 0.000000       0.000000 164.6059       91.37122 ?        ?        71.03845 20.68257 0.000000       20.68257 
1 1 1 -8  28 31 o 216.0647 12.78905 1420.528       161.3338 0.000000       0.000000 1420.528       161.3338 ?        ?        216.0647 12.78905 0.000000       12.78905 
1 1 1 -8  28 32 o 49.24404 21.28580 9.017551       112.6010 0.000000       0.000000 9.017551       112.6010 ?        ?        49.24404 21.28580 0.000000       21.28580 
1 1 1 -8  28 33 f 85.26322 19.29880 240.7465       94.24648 1700.376       569.1889 199.5999       95.56564 182.7279 51.11830 77.05816 20.70588 105.6697       55.15264 
1 1 1 -8  28 34 o 35.40228 16.67754 -82.03924      89.53900 -574.9026      514.8032 -66.66444      90.92486 69.35646 34.30306 36.98092 17.22078 32.37555       38.38301 
1 1 1 -8  28 35 o 67.34723 21.04182 152.5207       92.21625 -354.3066      529.4990 168.3740       93.64738 74.04052 36.25496 70.41750 21.05428 3.623016       41.92499 
1 1 1 -8  28 36 f 144.4318 12.72520 646.5745       106.6888 226.6195       509.9906 665.7944       109.1028 88.26626 40.99443 146.5141 12.82637 -58.24787      42.95415 
1 1 1 -8  28 37 o 170.5099 11.87986 895.9911       118.0556 627.6380       499.6301 911.8594       121.4959 103.3801 44.76188 171.8413 12.13347 -68.46122      46.37722 
1 1 1 -8  28 38 o 76.24923 21.85934 205.5949       102.7982 -437.7466      488.0253 235.4651       105.1576 67.14771 33.24450 81.70128 21.61529 -14.55357      39.65371 
1 1 1 -8  28 39 o 174.4706 12.37466 946.6188       125.7993 1356.506       463.6932 914.0530       130.7012 152.9354 47.08610 170.8084 13.14840 -17.87302      48.88743 
1 1 1 -8  28 40 o 48.74596 21.24108 18.75202       114.0008 57.03139       144.6274 -44.05473      185.2556 56.66092 24.30331 53.90873 24.92227 2.752197       34.81049 
1 1 1 -8  28 41 o 108.2617 19.82191 404.3552       121.2186 401.8618       165.6886 407.2269       177.8105 100.9641 27.32229 100.0750 28.76764 0.8890533      39.67473 
1 1 1 -8  29 1  o 447.3970 9.003305 5893.709       236.2357 5683.602       405.7842 6001.428       290.5491 437.1985 15.85205 451.0162 10.98441 -13.81772      19.28587 
1 1 1 -8  29 2  o 398.8960 9.057344 4685.384       211.8903 4214.291       390.6668 4881.729       252.2106 375.6946 17.78096 406.7254 10.58231 -31.03082      20.69174 
1 1 1 -8  29 3  o 267.5206 9.759312 2111.539       152.8616 0.000000       0.000000 2111.539       152.8616 ?        ?        267.5206 9.759312 0.000000       9.759312 
1 1 1 -8  29 4  o 217.3937 9.412222 1394.652       119.7180 1336.775       318.5663 1404.170       129.1875 208.2686 26.69404 218.0269 10.13091 -9.758392      28.55183 
1 1 1 -8  29 5  o 281.6666 8.734442 2337.673       144.1106 3188.700       369.7933 2185.284       156.4821 326.1025 19.42345 272.1474 9.820253 53.95517       21.76483 
1 1 1 -8  29 6  o 247.1157 9.321543 1801.126       134.8526 2374.742       353.8305 1703.647       145.8616 280.4680 21.67921 240.1570 10.38059 40.31104       24.03632 
1 1 1 -8  29 7  f 153.3285 11.87906 698.4053       105.9881 71.44674       370.0656 754.4282       110.6222 93.11127 39.36783 159.3872 11.92053 -66.27589      41.13302 
1 1 1 -8  29 8  o 215.2993 15.63911 1383.167       196.1255 1265.973       389.6329 1422.938       226.9768 199.4308 34.56485 217.8065 17.92745 -18.37575      38.93742 
1 1 1 -8  29 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  29 10 o 158.5340 19.29781 761.6570       175.7321 1595.990       433.8851 597.9350       192.2024 224.5556 34.00929 138.7658 24.51324 85.78981       41.92292 
1 1 1 -8  29 11 o 251.2980 23.17445 1919.123       337.7010 1932.839       477.7143 1905.422       477.4487 247.5030 33.79231 245.5791 34.06627 1.923874       47.98366 
1 1 1 -8  29 12 o 199.6909 10.39129 1179.328       121.2778 807.2563       455.4400 1207.725       125.8207 155.0281 46.44946 202.0433 10.65603 -47.01520      47.65609 
1 1 1 -8  29 13 o 268.2896 12.45490 2133.633       195.4374 2376.896       483.4224 2086.106       213.6779 276.2285 30.33942 264.9543 13.79867 11.27411       33.32992 
1 1 1 -8  29 14 f 309.3470 11.94153 2833.975       216.2420 0.000000       0.000000 2833.975       216.2420 ?        ?        309.3470 11.94153 0.000000       11.94153 
1 1 1 -8  29 15 o 167.3902 19.48251 851.4387       187.6904 0.000000       0.000000 851.4387       187.6904 ?        ?        167.3902 19.48251 0.000000       19.48251 
1 1 1 -8  29 16 o 164.4572 19.27185 822.4604       182.3557 0.000000       0.000000 822.4604       182.3557 ?        ?        164.4572 19.27185 0.000000       19.27185 
1 1 1 -8  29 17 o 380.6243 10.59367 4284.788       236.2496 0.000000       0.000000 4284.788       236.2496 ?        ?        380.6243 10.59367 0.000000       10.59367 
1 1 1 -8  29 18 o 191.6625 10.94848 1090.351       122.5550 0.000000       0.000000 1090.351       122.5550 ?        ?        191.6625 10.94848 0.000000       10.94848 
1 1 1 -8  29 19 o 93.39339 17.66483 270.1420       93.21230 0.000000       0.000000 270.1420       93.21230 ?        ?        93.39339 17.66483 0.000000       17.66483 
1 1 1 -8  29 20 o 87.83923 19.04570 241.5633       95.28226 0.000000       0.000000 241.5633       95.28226 ?        ?        87.83923 19.04570 0.000000       19.04570 
1 1 1 -8  29 21 o 234.3495 10.17360 1628.088       139.4933 0.000000       0.000000 1628.088       139.4933 ?        ?        234.3495 10.17360 0.000000       10.17360 
1 1 1 -8  29 22 o 168.1839 12.12930 844.9445       118.8347 0.000000       0.000000 844.9445       118.8347 ?        ?        168.1839 12.12930 0.000000       12.12930 
1 1 1 -8  29 23 o 306.8277 9.747964 2789.901       175.1893 0.000000       0.000000 2789.901       175.1893 ?        ?        306.8277 9.747964 0.000000       9.747964 
1 1 1 -8  29 24 o 94.28551 20.98723 283.1490       113.0652 0.000000       0.000000 283.1490       113.0652 ?        ?        94.28551 20.98723 0.000000       20.98723 
1 1 1 -8  29 25 o 44.03543 19.32855 -16.19498      95.91444 0.000000       0.000000 -16.19498      95.91444 ?        ?        44.03543 19.32855 0.000000       19.32855 
1 1 1 -8  29 26 o 74.87796 21.25636 180.2171       97.67590 0.000000       0.000000 180.2171       97.67590 ?        ?        74.87796 21.25636 0.000000       21.25636 
1 1 1 -8  29 27 o 117.8306 14.87867 427.7701       100.5308 0.000000       0.000000 427.7701       100.5308 ?        ?        117.8306 14.87867 0.000000       14.87867 
1 1 1 -8  29 28 o 72.62822 20.70438 171.6764       92.47555 0.000000       0.000000 171.6764       92.47555 ?        ?        72.62822 20.70438 0.000000       20.70438 
1 1 1 -8  29 29 o 69.85320 21.10800 158.7521       93.75952 0.000000       0.000000 158.7521       93.75952 ?        ?        69.85320 21.10800 0.000000       21.10800 
1 1 1 -8  29 30 o 143.1020 12.17484 623.4109       101.2093 0.000000       0.000000 623.4109       101.2093 ?        ?        143.1020 12.17484 0.000000       12.17484 
1 1 1 -8  29 31 o 255.0273 9.430800 1948.763       140.8111 0.000000       0.000000 1948.763       140.8111 ?        ?        255.0273 9.430800 0.000000       9.430800 
1 1 1 -8  29 32 o 71.98914 21.46221 174.0923       97.41959 0.000000       0.000000 174.0923       97.41959 ?        ?        71.98914 21.46221 0.000000       21.46221 
1 1 1 -8  29 33 o 59.70278 21.20241 109.6322       93.15998 0.000000       0.000000 109.6322       93.15998 ?        ?        59.70278 21.20241 0.000000       21.20241 
1 1 1 -8  29 34 o 76.22686 20.85736 198.4386       95.93124 0.000000       0.000000 198.4386       95.93124 ?        ?        76.22686 20.85736 0.000000       20.85736 
1 1 1 -8  29 35 o 36.10096 16.99077 -79.82643      92.54619 -306.9169      537.5581 -72.89007      93.94894 74.36013 36.43610 36.97721 17.31268 37.38292       40.34003 
1 1 1 -8  29 36 o 91.89751 20.57893 290.4013       108.1475 662.0956       547.2707 275.2966       110.3231 103.7528 45.83025 88.89344 21.41650 14.85938       50.58733 
1 1 1 -8  29 37 o 50.82465 21.03952 49.33822       102.3839 -586.9209      549.1921 72.24746       104.2108 67.77660 33.83499 54.08670 21.65443 13.68991       40.17114 
1 1 1 -8  29 38 o 162.8551 13.04100 830.2094       123.5154 68.70407       544.0759 871.5880       126.8268 80.34073 38.72998 166.8660 13.06369 -86.52530      40.87385 
1 1 1 -8  29 39 o 126.5558 17.67322 531.6422       127.6018 234.1513       462.6714 556.1328       132.7503 82.52431 38.56673 129.1943 18.00910 -46.66997      42.56430 
1 1 1 -8  29 40 o 94.78004 20.52765 314.9281       110.7973 317.2019       137.1849 310.6623       187.8995 91.58757 24.89358 86.19817 30.15423 5.389397       39.10202 
1 1 1 -8  30 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  30 2  o 379.0074 11.58225 4244.937       257.1468 4329.064       385.7838 4177.675       344.9532 380.9518 17.31251 374.7747 15.72918 6.177094       23.39081 
1 1 1 -8  30 3  o 311.3734 12.46305 2870.125       227.1319 3138.373       377.1375 2717.454       284.5173 323.2758 19.98967 302.0020 16.12223 21.27374       25.68099 
1 1 1 -8  30 4  o 253.3369 13.97529 1906.516       206.8349 2542.849       374.1638 1626.497       248.2062 290.0467 22.16385 232.8257 18.32498 57.22099       28.75833 
1 1 1 -8  30 5  o 202.3788 20.00344 1237.077       234.3197 0.000000       0.000000 1237.077       234.3197 ?        ?        202.3788 20.00344 0.000000       20.00344 
1 1 1 -8  30 6  o 371.1226 9.212543 4056.787       200.5153 4239.976       428.4896 4005.424       226.8912 376.0513 19.49521 368.3723 10.51295 7.679047       22.14916 
1 1 1 -8  30 7  o 213.6884 10.33183 1349.662       129.0981 1504.340       383.7837 1329.926       137.0868 219.3091 30.67667 211.9936 11.06441 7.315460       32.61103 
1 1 1 -8  30 8  o 311.4262 9.221425 2859.517       168.2384 3057.905       410.2424 2819.407       184.4633 318.0434 22.13205 309.0467 10.19130 8.996704       24.36576 
1 1 1 -8  30 9  o 111.1248 15.22265 373.2733       96.60429 -13.35380      383.5928 399.4552       99.82166 89.23198 38.92184 115.0340 15.16515 -25.80206      41.77190 
1 1 1 -8  30 10 o 42.84267 18.45727 -5.965897      84.11425 -161.5246      413.7426 0.7407364      85.90834 85.01588 38.51677 44.14003 18.82665 40.87585       42.87172 
1 1 1 -8  30 11 o 220.3915 14.13817 1446.829       181.7782 1424.304       459.8443 1451.001       197.8968 208.6174 39.01862 220.3907 15.40775 -11.77335      41.95058 
1 1 1 -8  30 12 o 146.8927 21.75304 663.7554       181.7439 324.1743       453.3815 728.7704       198.3805 115.6077 45.52523 153.7557 22.67990 -38.14804      50.86182 
1 1 1 -8  30 13 o 281.4249 20.56939 2396.660       337.1513 2459.115       510.1389 2348.224       449.2516 279.3394 31.69888 274.8404 28.27427 4.498993       42.47651 
1 1 1 -8  30 14 o 131.4101 23.77353 539.8181       176.4771 -717.6486      501.2036 717.7814       188.5520 75.13584 36.44929 152.7100 21.65995 -77.57420      42.39934 
1 1 1 -8  30 15 o 87.90535 29.44784 231.4796       178.7356 0.000000       0.000000 231.4796       178.7356 ?        ?        87.90535 29.44784 0.000000       29.44784 
1 1 1 -8  30 16 o 120.0148 26.09330 459.4759       178.4117 0.000000       0.000000 459.4759       178.4117 ?        ?        120.0148 26.09330 0.000000       26.09330 
1 1 1 -8  30 17 o 459.7494 11.98573 6273.134       322.8983 0.000000       0.000000 6273.134       322.8983 ?        ?        459.7494 11.98573 0.000000       11.98573 
1 1 1 -8  30 18 o 239.1883 15.01865 1715.570       209.6157 0.000000       0.000000 1715.570       209.6157 ?        ?        239.1883 15.01865 0.000000       15.01865 
1 1 1 -8  30 19 o 100.2150 18.08995 311.3980       102.4100 0.000000       0.000000 311.3980       102.4100 ?        ?        100.2150 18.08995 0.000000       18.08995 
1 1 1 -8  30 20 o 170.8105 11.75548 870.2885       117.0440 0.000000       0.000000 870.2885       117.0440 ?        ?        170.8105 11.75548 0.000000       11.75548 
1 1 1 -8  30 21 o 188.5237 11.46959 1059.378       126.2132 0.000000       0.000000 1059.378       126.2132 ?        ?        188.5237 11.46959 0.000000       11.46959 
1 1 1 -8  30 22 o 250.1104 10.10513 1857.298       147.9207 0.000000       0.000000 1857.298       147.9207 ?        ?        250.1104 10.10513 0.000000       10.10513 
1 1 1 -8  30 23 o 109.8641 17.81419 375.3389       110.8540 0.000000       0.000000 375.3389       110.8540 ?        ?        109.8641 17.81419 0.000000       17.81419 
1 1 1 -8  30 24 o 83.29176 20.73137 223.0926       100.8688 0.000000       0.000000 223.0926       100.8688 ?        ?        83.29176 20.73137 0.000000       20.73137 
1 1 1 -8  30 25 o 174.3541 11.49125 913.0154       116.8482 0.000000       0.000000 913.0154       116.8482 ?        ?        174.3541 11.49125 0.000000       11.49125 
1 1 1 -8  30 26 o 80.92419 19.47829 211.9782       91.32430 0.000000       0.000000 211.9782       91.32430 ?        ?        80.92419 19.47829 0.000000       19.47829 
1 1 1 -8  30 27 o 117.4846 17.62979 435.9431       117.7278 0.000000       0.000000 435.9431       117.7278 ?        ?        117.4846 17.62979 0.000000       17.62979 
1 1 1 -8  30 28 o 141.4639 12.87635 611.0310       105.6594 0.000000       0.000000 611.0310       105.6594 ?        ?        141.4639 12.87635 0.000000       12.87635 
1 1 1 -8  30 29 o 52.30074 20.53412 61.01533       91.99902 0.000000       0.000000 61.01533       91.99902 ?        ?        52.30074 20.53412 0.000000       20.53412 
1 1 1 -8  30 30 o 38.82186 17.80430 -50.80785      91.91575 0.000000       0.000000 -50.80785      91.91575 ?        ?        38.82186 17.80430 0.000000       17.80430 
1 1 1 -8  30 31 o 85.41687 20.65117 245.5654       102.3013 0.000000       0.000000 245.5654       102.3013 ?        ?        85.41687 20.65117 0.000000       20.65117 
1 1 1 -8  30 32 o 78.07576 25.78425 213.5034       137.1362 0.000000       0.000000 213.5034       137.1362 ?        ?        78.07576 25.78425 0.000000       25.78425 
1 1 1 -8  30 33 o 101.3860 17.61166 335.4200       100.9220 0.000000       0.000000 335.4200       100.9220 ?        ?        101.3860 17.61166 0.000000       17.61166 
1 1 1 -8  30 34 o 73.86156 22.02971 189.6019       102.6229 0.000000       0.000000 189.6019       102.6229 ?        ?        73.86156 22.02971 0.000000       22.02971 
1 1 1 -8  30 35 o 66.17009 22.51769 148.7000       104.5131 0.000000       0.000000 148.7000       104.5131 ?        ?        66.17009 22.51769 0.000000       22.51769 
1 1 1 -8  30 36 o 59.23737 22.27663 107.3344       105.0819 0.000000       0.000000 107.3344       105.0819 ?        ?        59.23737 22.27663 0.000000       22.27663 
1 1 1 -8  30 37 o 72.70727 22.94902 189.6806       109.4155 0.000000       0.000000 189.6806       109.4155 ?        ?        72.70727 22.94902 0.000000       22.94902 
1 1 1 -8  30 38 o 49.02610 21.38051 18.69355       115.7028 0.000000       0.000000 18.69355       115.7028 ?        ?        49.02610 21.38051 0.000000       21.38051 
1 1 1 -8  30 39 o 72.76434 24.37959 195.4390       122.5055 -7.454620      507.2207 208.0076       126.2429 75.67324 36.70000 74.66495 24.74213 1.008293       44.26131 
1 1 1 -8  31 1  o 245.8287 9.912870 1784.473       142.6234 1522.255       300.6811 1860.599       162.0087 223.4489 23.28569 250.8188 11.04061 -27.36990      25.77050 
1 1 1 -8  31 2  o 152.8283 12.15024 694.7028       108.0070 26.73888       309.0751 787.6191       115.2745 83.19867 35.60369 162.7847 12.16242 -79.58598      37.62376 
1 1 1 -8  31 3  o 398.9196 8.995127 4687.427       210.4472 5023.841       408.1227 4565.579       245.6197 410.3050 16.99710 393.2042 10.66094 17.10083       20.06383 
1 1 1 -8  31 4  o 168.2789 12.23054 841.6341       119.8813 0.000000       0.000000 841.6341       119.8813 ?        ?        168.2789 12.23054 0.000000       12.23054 
1 1 1 -8  31 5  o 84.84974 19.35402 223.8921       94.17142 88.62507       321.6126 236.5772       98.48810 88.72935 37.05555 87.19642 19.72236 1.532928       41.97720 
1 1 1 -8  31 6  o 102.4573 16.85681 320.6751       97.77107 0.000000       0.000000 320.6751       97.77107 ?        ?        102.4573 16.85681 0.000000       16.85681 
1 1 1 -8  31 7  o 160.5318 13.49318 769.0697       125.8611 515.0533       318.7799 815.9792       136.9905 126.1104 39.07827 165.2203 14.27759 -39.10988      41.60482 
1 1 1 -8  31 8  o 320.2951 9.051756 3025.677       169.8627 3337.814       394.9876 2954.852       188.1494 332.6425 20.34404 316.2856 10.15632 16.35687       22.73831 
1 1 1 -8  31 9  o 249.5611 9.674840 1839.702       141.3343 1154.875       353.3610 1970.123       154.2063 189.9266 32.91573 258.1640 10.20498 -68.23740      34.46138 
1 1 1 -8  31 10 o 211.8510 14.87434 1341.059       183.6328 659.6299       355.6293 1588.801       214.4312 140.5334 40.77108 230.3612 15.97075 -89.82779      43.78751 
1 1 1 -8  31 11 o 145.4791 22.27102 654.2854       183.9789 785.8062       405.9476 620.2884       206.3921 151.8513 43.40889 140.3194 26.03827 11.53183       50.61940 
1 1 1 -8  31 12 f 60.65194 26.46896 -20.07780      177.5943 -151.9050      443.8489 5.050593       193.7827 87.70002 39.79662 65.36576 28.08594 22.33426       48.70925 
1 1 1 -8  31 13 o 192.8236 16.42160 1119.642       183.9408 656.8651       482.0063 1198.524       199.0010 139.3912 48.32493 199.2997 17.19337 -59.90851      51.29240 
1 1 1 -8  31 14 o 122.6315 26.28840 480.2635       183.3874 169.2328       495.8124 529.5581       197.3855 107.2557 45.46806 128.6588 27.02049 -21.40314      52.89093 
1 1 1 -8  31 15 o 201.1632 27.26926 1276.113       313.4391 760.3311       505.8907 1597.474       399.3187 146.6065 49.54468 223.0403 31.39475 -76.43376      58.65412 
1 1 1 -8  31 16 o 205.7285 16.31849 1276.334       195.2787 0.000000       0.000000 1276.334       195.2787 ?        ?        205.7285 16.31849 0.000000       16.31849 
1 1 1 -8  31 17 o 90.04908 30.37832 247.7415       190.1902 0.000000       0.000000 247.7415       190.1902 ?        ?        90.04908 30.37832 0.000000       30.37832 
1 1 1 -8  31 18 o 74.14036 30.15542 92.84269       205.6447 0.000000       0.000000 92.84269       205.6447 ?        ?        74.14036 30.15542 0.000000       30.15542 
1 1 1 -8  31 19 o 170.0033 20.95963 895.0251       204.5539 0.000000       0.000000 895.0251       204.5539 ?        ?        170.0033 20.95963 0.000000       20.95963 
1 1 1 -8  31 20 o 180.7341 20.53952 1011.179       213.8541 0.000000       0.000000 1011.179       213.8541 ?        ?        180.7341 20.53952 0.000000       20.53952 
1 1 1 -8  31 21 o 113.7328 16.58297 398.5341       107.3574 0.000000       0.000000 398.5341       107.3574 ?        ?        113.7328 16.58297 0.000000       16.58297 
1 1 1 -8  31 22 o 183.9552 11.53314 1012.869       123.7997 0.000000       0.000000 1012.869       123.7997 ?        ?        183.9552 11.53314 0.000000       11.53314 
1 1 1 -8  31 23 o 67.40916 21.65847 141.1271       97.10362 0.000000       0.000000 141.1271       97.10362 ?        ?        67.40916 21.65847 0.000000       21.65847 
1 1 1 -8  31 24 o 91.56123 19.25922 269.0153       100.1358 0.000000       0.000000 269.0153       100.1358 ?        ?        91.56123 19.25922 0.000000       19.25922 
1 1 1 -8  31 25 o 75.06379 21.55915 184.1201       99.90605 0.000000       0.000000 184.1201       99.90605 ?        ?        75.06379 21.55915 0.000000       21.55915 
1 1 1 -8  31 26 o 34.17254 16.15731 -89.18439      85.46374 0.000000       0.000000 -89.18439      85.46374 ?        ?        34.17254 16.15731 0.000000       16.15731 
1 1 1 -8  31 27 o 53.72629 22.00505 49.01177       110.4381 0.000000       0.000000 49.01177       110.4381 ?        ?        53.72629 22.00505 0.000000       22.00505 
1 1 1 -8  31 28 o 200.3565 13.00010 1225.530       151.9321 0.000000       0.000000 1225.530       151.9321 ?        ?        200.3565 13.00010 0.000000       13.00010 
1 1 1 -8  31 29 o 94.97952 19.26326 296.1116       103.6277 0.000000       0.000000 296.1116       103.6277 ?        ?        94.97952 19.26326 0.000000       19.26326 
1 1 1 -8  31 30 o 48.92338 20.54562 30.28642       99.70937 0.000000       0.000000 30.28642       99.70937 ?        ?        48.92338 20.54562 0.000000       20.54562 
1 1 1 -8  31 31 o 64.88461 22.01612 137.2227       99.90076 0.000000       0.000000 137.2227       99.90076 ?        ?        64.88461 22.01612 0.000000       22.01612 
1 1 1 -8  31 32 o 45.41553 21.14499 -81.93041      136.9958 0.000000       0.000000 -81.93041      136.9958 ?        ?        45.41553 21.14499 0.000000       21.14499 
1 1 1 -8  31 33 o 125.4824 15.54857 502.3676       111.9796 0.000000       0.000000 502.3676       111.9796 ?        ?        125.4824 15.54857 0.000000       15.54857 
1 1 1 -8  31 34 o 33.90273 16.48578 -154.4467      104.1668 0.000000       0.000000 -154.4467      104.1668 ?        ?        33.90273 16.48578 0.000000       16.48578 
1 1 1 -8  31 35 o 37.05057 17.65071 -106.6825      105.8314 0.000000       0.000000 -106.6825      105.8314 ?        ?        37.05057 17.65071 0.000000       17.65071 
1 1 1 -8  31 36 o 81.63142 23.05672 241.8122       115.2176 0.000000       0.000000 241.8122       115.2176 ?        ?        81.63142 23.05672 0.000000       23.05672 
1 1 1 -8  31 37 o 42.82073 19.66501 -43.69621      112.6532 0.000000       0.000000 -43.69621      112.6532 ?        ?        42.82073 19.66501 0.000000       19.66501 
1 1 1 -8  31 38 o 83.01768 24.18812 257.8669       124.9286 0.000000       0.000000 257.8669       124.9286 ?        ?        83.01768 24.18812 0.000000       24.18812 
1 1 1 -8  32 1  o 223.7618 10.29079 1480.962       134.6855 1204.611       296.2490 1552.964       151.2170 196.9786 26.30074 228.9486 11.29680 -31.96997      28.62423 
1 1 1 -8  32 2  f 82.00443 19.33594 209.6366       91.46975 -274.1474      313.3931 254.6867       95.63381 67.29765 31.54446 90.63956 18.61407 -23.34191      36.62699 
1 1 1 -8  32 3  o 112.4526 14.84316 382.1674       95.50368 227.1539       319.9941 397.3254       100.0642 98.68265 38.42646 114.6013 15.26756 -15.91868      41.34842 
1 1 1 -8  32 4  o 215.0090 10.05938 1367.266       126.4948 1372.756       325.4257 1366.288       137.2911 210.0520 27.04324 214.7658 10.93600 -4.713791      29.17075 
1 1 1 -8  32 5  o 362.1506 9.071918 3868.766       192.5293 4671.826       417.3924 3651.720       216.9927 394.6072 18.08361 351.4743 10.53882 43.13284       20.93044 
1 1 1 -8  32 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  32 7  o 252.7378 9.275402 1886.501       137.2512 2028.830       340.1684 1858.824       150.0032 257.6647 22.74394 250.6830 10.22440 6.981781       24.93642 
1 1 1 -8  32 8  o 339.1970 10.10457 3400.979       200.7871 0.000000       0.000000 3400.979       200.7871 ?        ?        339.1970 10.10457 0.000000       10.10457 
1 1 1 -8  32 9  o 191.4846 11.40137 1089.113       127.4591 0.000000       0.000000 1089.113       127.4591 ?        ?        191.4846 11.40137 0.000000       11.40137 
1 1 1 -8  32 10 o 163.0652 19.67317 812.9838       184.3446 541.3916       369.8453 902.7625       212.6417 127.7902 42.34915 171.2403 21.65701 -43.45007      47.56550 
1 1 1 -8  32 11 o 259.1792 13.56386 2003.230       205.4565 1916.324       401.7518 2034.008       239.0858 246.7692 28.26951 260.4254 15.72710 -13.65617      32.34975 
1 1 1 -8  32 12 o 60.93733 26.87996 -35.18690      187.6339 83.70026       424.5869 -64.03967      209.1668 96.66392 41.55418 62.38822 27.89814 34.27570       50.05054 
1 1 1 -8  32 13 o 91.27272 30.43944 255.6112       191.0066 -408.8087      462.4237 392.2906       209.7347 79.06714 37.44336 109.6308 31.15672 -30.56362      48.71085 
1 1 1 -8  32 14 o 113.9385 27.72296 420.6869       183.4628 -256.9887      462.0439 547.5297       199.8965 84.18105 39.07058 130.5269 27.00415 -46.34589      47.49457 
1 1 1 -8  32 15 o 157.8758 25.62457 789.5326       229.1317 1096.096       460.6653 688.7568       264.1210 175.2385 44.69028 144.4224 32.02315 30.81606       54.97912 
1 1 1 -8  32 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  32 17 o 56.79537 25.77526 -84.55801      186.2441 -1217.468      440.3536 162.2449       205.5318 57.29028 28.83578 80.78628 30.97228 -23.49599      42.31766 
1 1 1 -8  32 18 f 276.7599 15.47954 2309.400       250.2522 0.000000       0.000000 2309.400       250.2522 ?        ?        276.7599 15.47954 0.000000       15.47954 
1 1 1 -8  32 19 o 319.6147 13.56528 3063.347       253.6980 0.000000       0.000000 3063.347       253.6980 ?        ?        319.6147 13.56528 0.000000       13.56528 
1 1 1 -8  32 20 f 78.11070 22.78863 195.1709       110.8253 0.000000       0.000000 195.1709       110.8253 ?        ?        78.11070 22.78863 0.000000       22.78863 
1 1 1 -8  32 21 o 111.4190 16.33177 384.6601       103.5520 0.000000       0.000000 384.6601       103.5520 ?        ?        111.4190 16.33177 0.000000       16.33177 
1 1 1 -8  32 22 o 52.50229 20.84224 53.71473       95.73194 0.000000       0.000000 53.71473       95.73194 ?        ?        52.50229 20.84224 0.000000       20.84224 
1 1 1 -8  32 23 o 116.4694 15.39942 420.3043       102.6132 0.000000       0.000000 420.3043       102.6132 ?        ?        116.4694 15.39942 0.000000       15.39942 
1 1 1 -8  32 24 o 136.2431 13.37908 567.3835       105.5262 0.000000       0.000000 567.3835       105.5262 ?        ?        136.2431 13.37908 0.000000       13.37908 
1 1 1 -8  32 25 o 177.3813 11.30555 949.9089       116.9994 0.000000       0.000000 949.9089       116.9994 ?        ?        177.3813 11.30555 0.000000       11.30555 
1 1 1 -8  32 26 f 170.0434 11.62733 875.9811       115.2574 0.000000       0.000000 875.9811       115.2574 ?        ?        170.0434 11.62733 0.000000       11.62733 
1 1 1 -8  32 27 o 209.1464 10.11297 1315.463       123.6775 0.000000       0.000000 1315.463       123.6775 ?        ?        209.1464 10.11297 0.000000       10.11297 
1 1 1 -8  32 28 o 164.4967 12.01990 825.7031       115.1597 0.000000       0.000000 825.7031       115.1597 ?        ?        164.4967 12.01990 0.000000       12.01990 
1 1 1 -8  32 29 o 105.8249 17.91490 363.6722       107.2236 0.000000       0.000000 363.6722       107.2236 ?        ?        105.8249 17.91490 0.000000       17.91490 
1 1 1 -8  32 30 o 156.2571 12.73806 752.7386       115.7211 0.000000       0.000000 752.7386       115.7211 ?        ?        156.2571 12.73806 0.000000       12.73806 
1 1 1 -8  32 31 o 162.1133 12.49784 810.3877       117.9073 0.000000       0.000000 810.3877       117.9073 ?        ?        162.1133 12.49784 0.000000       12.49784 
1 1 1 -8  32 32 o 64.59744 25.76375 118.3346       146.9459 0.000000       0.000000 118.3346       146.9459 ?        ?        64.59744 25.76375 0.000000       25.76375 
1 1 1 -8  32 33 o 81.51473 22.18857 235.1604       108.8962 0.000000       0.000000 235.1604       108.8962 ?        ?        81.51473 22.18857 0.000000       22.18857 
1 1 1 -8  32 34 o 72.95141 22.69005 189.1401       107.3589 0.000000       0.000000 189.1401       107.3589 ?        ?        72.95141 22.69005 0.000000       22.69005 
1 1 1 -8  32 35 o 42.68874 19.47975 -36.29393      108.2216 0.000000       0.000000 -36.29393      108.2216 ?        ?        42.68874 19.47975 0.000000       19.47975 
1 1 1 -8  32 36 o 138.3569 15.39548 617.3721       122.8104 0.000000       0.000000 617.3721       122.8104 ?        ?        138.3569 15.39548 0.000000       15.39548 
1 1 1 -8  32 37 o 50.89526 21.68447 40.52689       113.7522 0.000000       0.000000 40.52689       113.7522 ?        ?        50.89526 21.68447 0.000000       21.68447 
1 1 1 -8  33 1  o 135.6391 13.07583 551.0966       102.7294 904.5446       293.2664 501.6604       109.6786 167.6832 30.96130 128.9716 14.76621 38.71159       34.30223 
1 1 1 -8  33 2  o 253.3748 9.707603 1898.319       143.9865 2096.709       324.0867 1849.528       160.7196 262.3052 21.24883 249.7982 10.99752 12.50699       23.92610 
1 1 1 -8  33 3  f 274.9689 9.821018 2235.766       158.1221 2275.824       355.5512 2225.890       176.5410 272.7238 22.42743 274.0681 11.00577 -1.344299      24.98233 
1 1 1 -8  33 4  o 127.2388 14.24464 487.6909       104.4748 727.6866       329.7206 460.9063       110.1506 147.0502 37.97050 123.3299 15.57560 23.72036       41.04093 
1 1 1 -8  33 5  o 295.4487 9.591126 2580.264       165.9688 2576.065       350.1600 2581.480       188.4861 291.0441 20.64839 295.1740 10.90683 -4.129852      23.35198 
1 1 1 -8  33 6  o 155.3290 12.89967 721.3228       116.4524 0.000000       0.000000 721.3228       116.4524 ?        ?        155.3290 12.89967 0.000000       12.89967 
1 1 1 -8  33 7  o 364.7364 8.988371 3925.850       192.2696 3971.245       389.4113 3911.216       221.0994 362.7913 18.36182 363.5284 10.38111 -0.7371521     21.09321 
1 1 1 -8  33 8  o 113.0303 16.31515 389.9552       105.0259 1110.092       329.2756 308.3938       110.8139 185.3777 31.40680 99.39804 19.70574 85.97966       37.07699 
1 1 1 -8  33 9  o 471.9294 9.616687 6580.700       266.1663 6424.352       491.6097 6645.537       316.5806 461.4771 18.20004 473.5235 11.39967 -12.04648      21.47542 
1 1 1 -8  33 10 f 212.6436 20.35898 1383.390       250.8007 0.000000       0.000000 1383.390       250.8007 ?        ?        212.6436 20.35898 0.000000       20.35898 
1 1 1 -8  33 11 o 226.8103 14.53259 1541.972       192.2939 1752.239       362.5938 1459.694       226.8172 236.0876 26.65307 219.4731 17.77350 16.61455       32.03566 
1 1 1 -8  33 12 o 207.8894 16.41719 1305.075       198.5384 1137.620       372.6193 1371.462       234.6153 184.5045 35.72669 212.0952 19.06466 -27.59071      40.49516 
1 1 1 -8  33 13 o 203.5565 16.56293 1253.102       196.0228 1027.481       390.1437 1329.292       226.7172 172.5889 39.41247 208.8351 18.70903 -36.24623      43.62764 
1 1 1 -8  33 14 o 165.6878 20.64098 848.9835       196.2352 690.6859       436.0059 889.1949       219.7505 138.8330 45.98027 168.6969 22.79389 -29.86397      51.32004 
1 1 1 -8  33 15 o 156.0042 25.91130 778.1823       228.7565 1457.482       467.8528 564.7567       262.2416 204.3423 40.47111 128.9729 34.14024 75.36940       52.94777 
1 1 1 -8  33 16 o 186.1385 18.14234 1060.880       195.5418 906.9904       463.4839 1094.203       215.6764 155.1295 46.94228 188.3079 19.82631 -33.17839      50.95744 
1 1 1 -8  33 17 o 64.05314 28.08247 -12.37609      201.9412 -279.7033      463.9850 50.09702       224.2998 81.58366 38.28581 71.94393 30.54360 9.639725       48.97668 
1 1 1 -8  33 18 o 75.27126 30.25394 119.1529       204.2484 0.000000       0.000000 119.1529       204.2484 ?        ?        75.27126 30.25394 0.000000       30.25394 
1 1 1 -8  33 19 o 176.6640 22.04612 989.4478       223.4607 0.000000       0.000000 989.4478       223.4607 ?        ?        176.6640 22.04612 0.000000       22.04612 
1 1 1 -8  33 20 o 65.47485 30.90079 -230.5500      309.9489 0.000000       0.000000 -230.5500      309.9489 ?        ?        65.47485 30.90079 0.000000       30.90079 
1 1 1 -8  33 21 o 145.8414 13.29478 647.3196       112.4647 0.000000       0.000000 647.3196       112.4647 ?        ?        145.8414 13.29478 0.000000       13.29478 
1 1 1 -8  33 22 o 51.12517 20.66403 46.03748       95.86831 0.000000       0.000000 46.03748       95.86831 ?        ?        51.12517 20.66403 0.000000       20.66403 
1 1 1 -8  33 23 f 151.6432 12.80382 700.5206       112.8080 0.000000       0.000000 700.5206       112.8080 ?        ?        151.6432 12.80382 0.000000       12.80382 
1 1 1 -8  33 24 o 86.15665 20.04763 244.0766       99.38769 0.000000       0.000000 244.0766       99.38769 ?        ?        86.15665 20.04763 0.000000       20.04763 
1 1 1 -8  33 25 o 99.83416 18.02534 320.7106       101.6562 0.000000       0.000000 320.7106       101.6562 ?        ?        99.83416 18.02534 0.000000       18.02534 
1 1 1 -8  33 26 o 127.5039 15.07061 508.0920       110.5194 0.000000       0.000000 508.0920       110.5194 ?        ?        127.5039 15.07061 0.000000       15.07061 
1 1 1 -8  33 27 o 120.8260 14.88277 458.0462       103.2357 0.000000       0.000000 458.0462       103.2357 ?        ?        120.8260 14.88277 0.000000       14.88277 
1 1 1 -8  33 28 o 117.1441 16.68492 439.2716       111.3926 0.000000       0.000000 439.2716       111.3926 ?        ?        117.1441 16.68492 0.000000       16.68492 
1 1 1 -8  33 29 o 118.2320 16.53809 448.3085       111.5429 0.000000       0.000000 448.3085       111.5429 ?        ?        118.2320 16.53809 0.000000       16.53809 
1 1 1 -8  33 30 o 96.15488 20.32080 313.4176       111.0015 0.000000       0.000000 313.4176       111.0015 ?        ?        96.15488 20.32080 0.000000       20.32080 
1 1 1 -8  33 31 o 117.8974 17.41781 453.9456       116.8126 0.000000       0.000000 453.9456       116.8126 ?        ?        117.8974 17.41781 0.000000       17.41781 
1 1 1 -8  33 32 f 60.58770 25.14043 86.51633       146.6674 0.000000       0.000000 86.51633       146.6674 ?        ?        60.58770 25.14043 0.000000       25.14043 
1 1 1 -8  33 33 o 27.10283 13.69049 -318.9238      104.3681 0.000000       0.000000 -318.9238      104.3681 ?        ?        27.10283 13.69049 0.000000       13.69049 
1 1 1 -8  33 34 o 81.23087 24.24669 244.3051       124.2794 0.000000       0.000000 244.3051       124.2794 ?        ?        81.23087 24.24669 0.000000       24.24669 
1 1 1 -8  33 35 o 128.1631 17.04727 541.2109       124.9604 0.000000       0.000000 541.2109       124.9604 ?        ?        128.1631 17.04727 0.000000       17.04727 
1 1 1 -8  33 36 o 113.3190 18.53398 434.0697       118.9208 0.000000       0.000000 434.0697       118.9208 ?        ?        113.3190 18.53398 0.000000       18.53398 
1 1 1 -8  34 1  o 98.58672 17.72478 300.6084       98.71532 506.6595       282.5349 271.9573       105.3551 123.1700 36.50791 93.13634 19.89257 30.03362       41.57574 
1 1 1 -8  34 2  o 57.26415 21.23840 79.83838       94.85464 175.9856       312.3999 70.07414       99.55469 92.60607 37.34763 56.47245 21.57943 36.13362       43.13371 
1 1 1 -8  34 3  o 101.4639 17.18058 317.1781       98.59039 528.5712       289.2826 289.3978       104.8686 125.5039 36.87411 96.28523 19.24437 29.21870       41.59382 
1 1 1 -8  34 4  o 311.4107 11.40859 2878.598       208.0086 3108.581       369.8078 2772.161       251.5789 319.7948 19.81494 304.6105 14.12089 15.18430       24.33169 
1 1 1 -8  34 5  f 232.8558 11.73528 1612.543       159.7455 2392.824       347.0361 1402.760       179.9430 279.5811 21.32583 216.4082 14.25728 63.17288       25.65271 
1 1 1 -8  34 6  o 261.8827 9.689057 2030.065       148.5557 2713.821       352.4587 1882.356       163.8177 298.3694 20.26224 251.7859 11.12120 46.58351       23.11362 
1 1 1 -8  34 7  o 130.9652 13.34221 515.7884       101.0493 721.3106       324.0633 493.6529       106.3518 145.3916 37.69481 127.8227 14.43934 17.56899       40.36575 
1 1 1 -8  34 8  o 336.6112 9.167675 3349.884       180.8147 3122.935       362.3481 3425.134       208.6490 320.5054 19.36740 339.9513 10.47775 -19.44589      22.01998 
1 1 1 -8  34 9  o 46.03752 19.83444 -3.559442      97.14221 -368.3178      318.9210 33.74340       101.9886 63.36979 30.31276 51.68030 21.15442 11.68948       36.96449 
1 1 1 -8  34 10 o 160.9236 20.50786 800.2700       189.1575 860.9509       338.7701 772.7813       228.0118 158.7934 37.05620 155.8438 25.85245 2.949661       45.18308 
1 1 1 -8  34 11 o 274.0036 18.50496 2284.182       295.6243 0.000000       0.000000 2284.182       295.6243 ?        ?        274.0036 18.50496 0.000000       18.50496 
1 1 1 -8  34 12 o 255.2118 19.70127 1995.812       292.5989 0.000000       0.000000 1995.812       292.5989 ?        ?        255.2118 19.70127 0.000000       19.70127 
1 1 1 -8  34 13 o 133.1447 26.17754 573.5432       197.1212 506.9359       360.0933 602.0437       235.5485 121.1844 41.78048 134.4483 30.56703 -13.26395      51.76825 
1 1 1 -8  34 14 o 93.10366 29.93082 280.1282       185.4277 -450.1771      375.5178 515.6189       213.2383 66.81704 32.20193 124.3389 29.65889 -57.52184      43.77915 
1 1 1 -8  34 15 o 76.10323 28.97710 149.6896       179.1016 -765.4874      412.4811 362.3203       198.8220 62.29490 30.79126 103.9360 30.57854 -41.64114      43.39526 
1 1 1 -8  34 16 o 263.4297 15.62004 2107.245       240.2388 2389.149       468.8451 2006.876       279.7562 268.5026 30.30227 255.0893 18.83259 13.41327       35.67764 
1 1 1 -8  34 17 o 261.6463 15.50845 2084.035       236.9087 2426.884       458.2719 1958.991       276.7596 270.2377 29.38799 251.4221 18.90786 18.81564       34.94511 
1 1 1 -8  34 18 o 131.6927 24.15204 568.0426       179.6653 963.9050       424.5608 481.6866       198.2961 155.1224 44.40862 118.5697 28.80467 36.55270       52.93236 
1 1 1 -8  34 19 o 254.8916 15.20786 1986.972       226.3054 0.000000       0.000000 1986.972       226.3054 ?        ?        254.8916 15.20786 0.000000       15.20786 
1 1 1 -8  34 20 o 56.30568 25.67207 -69.42632      187.4602 815.9888       427.4190 -280.3080      208.5930 137.8565 45.52005 48.85764 23.65700 88.99889       51.30038 
1 1 1 -8  34 21 o 212.2738 10.63631 1353.709       131.9933 0.000000       0.000000 1353.709       131.9933 ?        ?        212.2738 10.63631 0.000000       10.63631 
1 1 1 -8  34 22 o 79.49593 34.32433 112.6997       292.1596 0.000000       0.000000 112.6997       292.1596 ?        ?        79.49593 34.32433 0.000000       34.32433 
1 1 1 -8  34 23 o 185.5247 11.50780 1041.878       124.5952 0.000000       0.000000 1041.878       124.5952 ?        ?        185.5247 11.50780 0.000000       11.50780 
1 1 1 -8  34 24 o 45.59121 19.77904 2.383966       97.94292 0.000000       0.000000 2.383966       97.94292 ?        ?        45.59121 19.77904 0.000000       19.77904 
1 1 1 -8  34 25 o 116.7091 25.58609 476.7017       170.2905 0.000000       0.000000 476.7017       170.2905 ?        ?        116.7091 25.58609 0.000000       25.58609 
1 1 1 -8  34 26 o 123.7995 15.87669 485.6354       112.6234 0.000000       0.000000 485.6354       112.6234 ?        ?        123.7995 15.87669 0.000000       15.87669 
1 1 1 -8  34 27 o 107.1193 21.38933 388.3265       129.6664 0.000000       0.000000 388.3265       129.6664 ?        ?        107.1193 21.38933 0.000000       21.38933 
1 1 1 -8  34 28 o 128.4709 15.60202 524.2988       115.1468 0.000000       0.000000 524.2988       115.1468 ?        ?        128.4709 15.60202 0.000000       15.60202 
1 1 1 -8  34 29 o 73.56400 23.19023 189.4063       111.7605 0.000000       0.000000 189.4063       111.7605 ?        ?        73.56400 23.19023 0.000000       23.19023 
1 1 1 -8  34 30 o 144.5875 14.84398 662.4874       124.0871 0.000000       0.000000 662.4874       124.0871 ?        ?        144.5875 14.84398 0.000000       14.84398 
1 1 1 -8  34 31 o 51.45818 21.51636 46.79205       108.6305 0.000000       0.000000 46.79205       108.6305 ?        ?        51.45818 21.51636 0.000000       21.51636 
1 1 1 -8  34 32 o 70.47068 26.88926 171.2274       154.4295 0.000000       0.000000 171.2274       154.4295 ?        ?        70.47068 26.88926 0.000000       26.88926 
1 1 1 -8  34 33 o 27.64886 13.98407 -344.7144      110.9944 0.000000       0.000000 -344.7144      110.9944 ?        ?        27.64886 13.98407 0.000000       13.98407 
1 1 1 -8  34 34 o 47.46476 22.70882 -146.5057      179.1654 0.000000       0.000000 -146.5057      179.1654 ?        ?        47.46476 22.70882 0.000000       22.70882 
1 1 1 -8  34 35 o 85.48002 22.67381 267.3149       115.5185 0.000000       0.000000 267.3149       115.5185 ?        ?        85.48002 22.67381 0.000000       22.67381 
1 1 1 -8  35 1  o 288.7275 10.06037 2470.097       170.0939 2963.113       337.7466 2302.564       196.8842 312.5188 18.51032 278.1068 12.10011 34.41196       22.11436 
1 1 1 -8  35 2  f 88.92719 32.37954 224.9658       218.8344 212.4007       291.1157 241.2903       331.8214 93.21227 36.54798 98.61223 38.91160 -5.399956      53.38415 
1 1 1 -8  35 3  o 147.0373 13.54537 649.9157       115.4951 120.0163       311.5782 734.3226       124.3538 87.75118 36.54646 156.3227 13.70239 -68.57151      39.03075 
1 1 1 -8  35 4  o 61.87954 27.85275 -73.99305      212.2796 -380.7699      315.2339 180.5500       287.1456 62.33705 29.90334 90.10052 35.98830 -27.76347      46.79067 
1 1 1 -8  35 5  f 83.04599 21.97626 219.0599       108.6828 -163.1130      308.8527 273.0718       116.1090 70.50950 32.44667 92.68425 21.73869 -22.17475      39.05582 
1 1 1 -8  35 6  o 196.1786 11.30211 1146.252       129.4850 1085.516       334.8534 1156.931       140.4075 181.1719 32.71848 196.8373 12.22307 -15.66541      34.92710 
1 1 1 -8  35 7  o 244.9589 9.842806 1779.427       141.1164 2741.749       349.7932 1592.359       154.2237 299.2192 20.04864 231.2563 11.40641 67.96291       23.06630 
1 1 1 -8  35 8  f 168.1066 20.29031 874.5341       196.0016 1409.003       322.0330 560.0463       247.0252 210.3027 26.71173 128.9290 32.64272 81.37361       42.17895 
1 1 1 -8  35 9  o 403.6018 9.532594 4823.002       225.6393 5239.720       456.1509 4688.004       259.6280 414.5793 18.80976 397.0573 11.16038 17.52203       21.87146 
1 1 1 -8  35 10 o 81.98389 29.90687 191.4833       186.8120 315.1083       330.7023 133.5455       226.3941 103.1039 39.34697 79.52071 31.88983 23.58323       50.64727 
1 1 1 -8  35 11 o 94.55101 30.38449 290.7790       191.1042 -114.1006      356.9827 453.4188       226.2548 77.57152 35.39054 115.5739 32.19131 -38.00237      47.84110 
1 1 1 -8  35 12 f 87.24498 29.97435 238.2588       185.2870 194.9677       341.4165 256.3321       220.5992 93.63942 38.55795 91.12242 32.59783 2.516998       50.49093 
1 1 1 -8  35 13 f 163.6680 26.22273 871.8002       243.2097 0.000000       0.000000 871.8002       243.2097 ?        ?        163.6680 26.22273 0.000000       26.22273 
1 1 1 -8  35 14 o 86.78360 32.91528 218.9545       230.5398 0.000000       0.000000 218.9545       230.5398 ?        ?        86.78360 32.91528 0.000000       32.91528 
1 1 1 -8  35 15 o 182.3226 17.84804 1030.315       188.4032 1168.459       377.7847 984.5840       217.3621 179.7568 37.06686 176.1180 21.48847 3.638855       42.84514 
1 1 1 -8  35 16 o 50.06118 24.21960 -292.6385      217.4855 -538.4581      391.8142 -183.1730      261.4632 64.18252 31.37678 61.15335 28.71155 3.029163       42.53064 
1 1 1 -8  35 17 o 73.10187 28.98313 132.8545       184.9010 -438.1406      391.2570 297.0465       209.8079 66.49187 32.24384 93.04765 31.89854 -26.55578      45.35617 
1 1 1 -8  35 18 o 186.9381 17.71381 1092.522       191.8879 1152.001       415.6687 1076.413       216.3168 169.6132 42.00792 183.7182 20.42113 -14.10495      46.70854 
1 1 1 -8  35 19 o 92.68965 29.10754 300.7138       176.2342 296.7592       427.8084 301.5220       193.4072 98.69018 42.05050 92.62769 30.62193 6.062492       52.01871 
1 1 1 -8  35 20 o 60.78516 22.43905 103.7988       105.6624 730.9743       443.9326 66.13507       108.7888 126.8743 46.12976 55.70811 22.18448 71.16620       51.18697 
1 1 1 -8  35 21 o 142.5625 12.61665 620.7126       104.3994 811.3530       430.2834 608.7878       107.6150 133.0024 45.67835 140.9264 13.17321 -7.924026      47.53993 
1 1 1 -8  35 22 o 132.1102 14.25039 540.8344       108.6665 0.000000       0.000000 540.8344       108.6665 ?        ?        132.1102 14.25039 0.000000       14.25039 
1 1 1 -8  35 23 o 53.69323 21.38732 63.25949       101.1351 0.000000       0.000000 63.25949       101.1351 ?        ?        53.69323 21.38732 0.000000       21.38732 
1 1 1 -8  35 24 o 54.00408 21.46976 66.42722       101.7256 0.000000       0.000000 66.42722       101.7256 ?        ?        54.00408 21.46976 0.000000       21.46976 
1 1 1 -8  35 25 o 33.53930 16.39623 -179.2166      106.9892 0.000000       0.000000 -179.2166      106.9892 ?        ?        33.53930 16.39623 0.000000       16.39623 
1 1 1 -8  35 26 o 88.92058 21.65398 271.8587       111.8575 0.000000       0.000000 271.8587       111.8575 ?        ?        88.92058 21.65398 0.000000       21.65398 
1 1 1 -8  35 27 o 57.78656 22.19663 93.10156       105.6987 0.000000       0.000000 93.10156       105.6987 ?        ?        57.78656 22.19663 0.000000       22.19663 
1 1 1 -8  35 28 o 78.74320 23.71406 221.4012       118.4840 0.000000       0.000000 221.4012       118.4840 ?        ?        78.74320 23.71406 0.000000       23.71406 
1 1 1 -8  35 29 o 128.4362 17.31963 538.9165       127.1379 0.000000       0.000000 538.9165       127.1379 ?        ?        128.4362 17.31963 0.000000       17.31963 
1 1 1 -8  35 30 o 55.86125 22.79271 73.39661       117.9307 0.000000       0.000000 73.39661       117.9307 ?        ?        55.86125 22.79271 0.000000       22.79271 
1 1 1 -8  35 31 o 55.60679 22.32257 79.25432       111.0491 0.000000       0.000000 79.25432       111.0491 ?        ?        55.60679 22.32257 0.000000       22.32257 
1 1 1 -8  35 32 o 155.4911 20.33104 827.0312       180.9659 0.000000       0.000000 827.0312       180.9659 ?        ?        155.4911 20.33104 0.000000       20.33104 
1 1 1 -8  35 33 o 76.23697 29.07683 223.3488       180.5284 0.000000       0.000000 223.3488       180.5284 ?        ?        76.23697 29.07683 0.000000       29.07683 
1 1 1 -8  35 34 o 63.56081 23.68341 137.3273       118.2106 0.000000       0.000000 137.3273       118.2106 ?        ?        63.56081 23.68341 0.000000       23.68341 
1 1 1 -8  36 1  o 171.2372 12.63468 879.2404       125.9922 825.4520       300.1466 890.7455       138.8143 156.0557 33.77634 171.9712 13.88134 -15.91547      36.51757 
1 1 1 -8  36 2  o 117.5279 16.69578 424.8398       111.8455 724.6188       303.3546 377.6778       120.3222 144.7464 35.90855 109.8170 19.39089 34.92941       40.80968 
1 1 1 -8  36 3  o 253.6343 16.02493 1946.948       237.1530 1985.956       324.8627 1902.443       347.0008 252.6709 22.14640 245.7885 24.39389 6.882401       32.94731 
1 1 1 -8  36 4  o 41.83384 20.99795 -621.0912      225.3376 -465.5697      321.2198 -771.7813      316.1908 59.75694 29.03306 51.07354 25.52359 8.683399       38.65711 
1 1 1 -8  36 5  o 91.16415 21.19975 265.5777       111.1954 100.4646       329.3336 286.8224       118.1326 86.80304 36.93706 94.64464 21.74071 -7.841599      42.86029 
1 1 1 -8  36 6  o 49.94142 20.28979 36.33681       92.97381 265.5413       317.4355 14.82956       97.23808 97.84069 38.22256 48.00780 20.23273 49.83289       43.24728 
1 1 1 -8  36 7  o 195.6029 11.21167 1142.496       128.0775 922.4534       317.6992 1185.198       139.9544 164.0438 34.13467 198.9613 12.05059 -34.91748      36.19934 
1 1 1 -8  36 8  o 76.38599 21.17886 186.4744       98.17763 685.3172       313.8307 132.3582       103.3659 138.3675 37.66940 66.54501 22.39523 71.82246       43.82384 
1 1 1 -8  36 9  o 123.3081 16.20591 468.2903       114.3626 358.6885       332.0596 483.0401       121.8151 105.1687 39.58900 124.9480 17.06927 -19.77927      43.11205 
1 1 1 -8  36 10 o 50.76301 23.79651 -148.3569      178.4231 -737.4537      326.7796 101.8598       212.9707 52.62099 26.24250 74.17074 30.48792 -21.54975      40.22663 
1 1 1 -8  36 11 o 91.48466 29.54316 278.5369       180.5207 -74.37131      305.2134 468.4153       223.8776 72.43288 32.92082 115.8392 31.92941 -43.40636      45.86140 
1 1 1 -8  36 12 o 99.88235 29.45597 341.6458       184.3083 420.0904       325.4903 304.6225       223.6115 108.5708 39.49586 95.18375 32.91912 13.38708       51.41587 
1 1 1 -8  36 13 o 95.90679 29.76723 315.9935       184.8832 63.60750       331.0432 430.3981       222.8815 81.74178 35.89294 110.0362 32.37657 -28.29444      48.33783 
1 1 1 -8  36 14 o 121.0771 28.92492 508.3812       202.5717 82.87712       375.2488 683.3792       240.6490 85.73786 37.90770 140.0089 30.19622 -54.27099      48.46448 
1 1 1 -8  36 15 o 166.4965 27.97250 943.7036       263.4651 0.000000       0.000000 943.7036       263.4651 ?        ?        166.4965 27.97250 0.000000       27.97250 
1 1 1 -8  36 16 o 60.42570 28.30651 -156.2429      251.7223 0.000000       0.000000 -156.2429      251.7223 ?        ?        60.42570 28.30651 0.000000       28.30651 
1 1 1 -8  36 17 o 101.9252 29.16702 369.1710       183.1799 632.7834       422.1087 308.0078       203.3231 120.8003 44.80278 93.24116 31.40956 27.55916       54.71609 
1 1 1 -8  36 18 o 42.06007 20.69578 -323.4380      179.2811 319.6250       404.5446 -480.6002      199.9925 98.18548 41.31789 40.52112 20.25748 57.66436       46.01667 
1 1 1 -8  36 19 o 68.69415 28.03937 107.3713       178.5542 630.9066       417.2850 -9.969471      197.5533 118.8693 44.45617 61.07736 27.22567 57.79191       52.13049 
1 1 1 -8  36 20 o 65.52242 22.72813 134.8542       106.6264 329.0021       395.4787 119.6350       110.7268 96.78530 40.79744 63.36732 23.03841 33.41798       46.85296 
1 1 1 -8  36 21 o 44.24031 19.52390 -11.29369      99.09875 108.5394       398.8682 -19.17730      102.3066 84.04463 37.97245 44.12283 19.63495 39.92180       42.74855 
1 1 1 -8  36 22 o 53.88917 21.38469 66.48726       100.7436 -118.5160      406.0534 78.62226       103.9952 74.32294 35.16413 56.05685 21.88382 18.26609       41.41760 
1 1 1 -8  36 23 o 70.57411 22.34049 168.2703       103.6216 202.0482       419.4991 166.0754       106.9353 87.53078 39.29665 70.20502 22.74364 17.32576       45.40374 
1 1 1 -8  36 24 o 38.28194 17.78432 -64.95063      96.07772 0.000000       0.000000 -64.95063      96.07772 ?        ?        38.28194 17.78432 0.000000       17.78432 
1 1 1 -8  36 25 o 72.33076 23.12093 180.6488       110.7640 0.000000       0.000000 180.6488       110.7640 ?        ?        72.33076 23.12093 0.000000       23.12093 
1 1 1 -8  36 26 f 127.4501 17.29531 527.5610       125.9435 0.000000       0.000000 527.5610       125.9435 ?        ?        127.4501 17.29531 0.000000       17.29531 
1 1 1 -8  36 27 o 64.53735 27.93254 76.70327       194.4046 0.000000       0.000000 76.70327       194.4046 ?        ?        64.53735 27.93254 0.000000       27.93254 
1 1 1 -8  36 28 o 90.27396 23.82396 295.6231       127.9491 0.000000       0.000000 295.6231       127.9491 ?        ?        90.27396 23.82396 0.000000       23.82396 
1 1 1 -8  36 29 o 58.33929 23.18375 93.12228       118.5692 0.000000       0.000000 93.12228       118.5692 ?        ?        58.33929 23.18375 0.000000       23.18375 
1 1 1 -8  36 30 o 152.8317 14.80460 745.7004       131.0369 0.000000       0.000000 745.7004       131.0369 ?        ?        152.8317 14.80460 0.000000       14.80460 
1 1 1 -8  36 31 o 125.5279 25.38298 585.0616       180.4370 0.000000       0.000000 585.0616       180.4370 ?        ?        125.5279 25.38298 0.000000       25.38298 
1 1 1 -8  36 32 o 55.24677 24.98829 0.9031771      173.2819 0.000000       0.000000 0.9031771      173.2819 ?        ?        55.24677 24.98829 0.000000       24.98829 
1 1 1 -8  37 1  o 54.01533 20.89011 64.27459       94.07906 80.86792       265.2206 61.88619       100.6223 78.08617 33.18458 54.74420 21.48047 23.34197       39.53008 
1 1 1 -8  37 2  o 61.80091 21.70757 109.1901       97.44019 38.55959       262.3838 120.4892       104.9451 74.74433 32.40024 64.46349 22.53655 10.28084       39.46735 
1 1 1 -8  37 3  o 201.4992 24.24980 1302.003       280.8174 1302.003       280.8174 0.000000       0.000000 201.4992 24.24980 ?        ?        0.000000       24.24980 
1 1 1 -8  37 4  o 133.6999 14.51616 545.6142       111.9993 372.4529       285.5063 577.1077       121.7590 104.4044 37.11340 137.2180 15.39521 -32.81354      40.17980 
1 1 1 -8  37 5  o 86.30081 20.37077 240.0357       101.4354 54.19532       290.1599 265.9091       108.2665 78.37606 34.02272 90.77000 20.78622 -12.39394      39.86995 
1 1 1 -8  37 6  o 131.5646 14.04882 527.8718       106.7245 716.2222       319.4295 504.2044       113.2314 139.2055 38.04770 128.0656 15.38352 11.13994       41.03998 
1 1 1 -8  37 7  o 207.1334 11.08192 1285.298       134.1319 966.0330       330.6923 1348.167       146.7451 164.3488 35.35851 211.8301 11.85941 -47.48128      37.29436 
1 1 1 -8  37 8  o 298.5176 9.871194 2656.510       172.5808 3180.398       393.0135 2531.357       192.0921 317.5532 21.22467 290.6623 11.29008 26.89090       24.04064 
1 1 1 -8  37 9  o 212.1492 18.93167 1407.298       233.0764 1810.637       353.4444 1096.933       310.0432 234.5737 26.13495 178.4697 30.73012 56.10408       40.34075 
1 1 1 -8  37 10 o 47.39587 20.23418 10.56995       99.39865 150.6386       313.4227 -5.093141      104.8090 85.40088 36.17452 46.78085 20.37603 38.62003       41.51841 
1 1 1 -8  37 11 o 131.1199 24.57631 571.3226       182.0466 469.7925       303.5435 628.3555       227.5025 111.4078 38.36186 134.2267 29.68825 -22.81892      48.50798 
1 1 1 -8  37 12 o 44.74457 21.60144 -227.1593      170.7422 -359.7739      304.1954 -166.1624      206.3056 59.06563 28.59223 53.63678 25.28221 5.428856       38.16681 
1 1 1 -8  37 13 o 55.07716 24.93313 -51.42105      172.9625 354.6136       328.0808 -207.7100      203.5464 100.0216 38.91997 51.06673 24.36980 48.95488       45.92005 
1 1 1 -8  37 14 o 152.6815 20.43959 750.2070       178.4310 1074.102       377.8308 657.2374       202.4257 164.9577 39.56466 139.3000 25.72531 25.65773       47.19273 
1 1 1 -8  37 15 o 54.43118 25.62954 -156.4434      211.0087 -104.3056      405.9639 -175.7431      246.9946 77.62624 36.22770 58.50241 27.60241 19.12383       45.54491 
1 1 1 -8  37 16 o 72.89435 28.95165 141.8870       184.8070 -291.7955      422.7552 244.3425       205.4806 72.17929 34.62599 85.19556 31.31911 -13.01627      46.68882 
1 1 1 -8  37 17 o 70.36643 31.50030 12.88865       267.4542 0.000000       0.000000 12.88865       267.4542 ?        ?        70.36643 31.50030 0.000000       31.50030 
1 1 1 -8  37 18 o 85.07061 34.73226 223.9483       274.0487 0.000000       0.000000 223.9483       274.0487 ?        ?        85.07061 34.73226 0.000000       34.73226 
1 1 1 -8  37 19 o 200.5645 11.22611 1219.943       131.5217 665.4081       390.3425 1290.961       139.6898 119.4486 43.28088 206.1050 11.60335 -86.65632      44.80929 
1 1 1 -8  37 20 o 62.67013 22.36350 121.8396       103.7602 575.2477       369.9897 83.13645       108.0980 111.5892 41.83482 57.18680 22.31525 54.40238       47.41438 
1 1 1 -8  37 21 o 98.84876 19.25805 323.3230       107.6287 505.3085       368.7698 306.3777       112.5280 105.2723 41.17653 95.34640 20.71704 9.925941       46.09449 
1 1 1 -8  37 22 o 48.86980 20.75465 25.89381       103.6271 165.9368       383.8535 14.88497       107.6231 83.65181 37.56980 48.34267 20.85267 35.30914       42.96887 
1 1 1 -8  37 23 f 89.82068 20.62533 274.5794       106.3534 -81.89309      401.0666 301.5420       110.3023 73.61627 34.86465 94.29348 20.52934 -20.67721      40.45983 
1 1 1 -8  37 24 o 63.35251 23.12677 127.5844       111.7392 0.000000       0.000000 127.5844       111.7392 ?        ?        63.35251 23.12677 0.000000       23.12677 
1 1 1 -8  37 25 o 52.19139 22.13470 39.45497       117.5898 117.2970       419.6969 32.82386       122.4960 80.43444 37.29905 52.21246 22.38040 28.22198       43.49829 
1 1 1 -8  37 26 o 82.59006 23.93160 247.5727       122.5963 0.000000       0.000000 247.5727       122.5963 ?        ?        82.59006 23.93160 0.000000       23.93160 
1 1 1 -8  37 27 o 170.7308 13.78939 916.2738       136.8988 0.000000       0.000000 916.2738       136.8988 ?        ?        170.7308 13.78939 0.000000       13.78939 
1 1 1 -8  37 28 o 86.90154 24.63021 280.4016       131.2488 0.000000       0.000000 280.4016       131.2488 ?        ?        86.90154 24.63021 0.000000       24.63021 
1 1 1 -8  37 29 o 122.9315 19.02776 510.6095       132.7554 0.000000       0.000000 510.6095       132.7554 ?        ?        122.9315 19.02776 0.000000       19.02776 
1 1 1 -8  37 30 o 46.08053 21.76429 -101.5933      154.3011 0.000000       0.000000 -101.5933      154.3011 ?        ?        46.08053 21.76429 0.000000       21.76429 
1 1 1 -8  37 31 o 41.78058 19.53148 -70.79214      118.8097 0.000000       0.000000 -70.79214      118.8097 ?        ?        41.78058 19.53148 0.000000       19.53148 
1 1 1 -8  38 1  f 175.9669 11.75580 933.2797       120.6245 920.6823       249.8854 937.1069       137.7345 166.1292 26.54015 175.5888 13.47810 -9.459595      29.76640 
1 1 1 -8  38 2  o 139.0276 14.17595 591.7491       113.9701 710.3323       253.7821 561.7916       127.5564 142.1403 31.29236 134.4279 16.52682 7.712372       35.38853 
1 1 1 -8  38 3  o 265.0206 19.57697 2205.969       302.1334 2113.248       306.5955 5322.025       1777.383 258.6599 20.37534 222.0683 89.25021 36.59154       91.54646 
1 1 1 -8  38 4  o 51.55265 21.22151 38.33076       103.3805 29.70781       297.1324 39.51836       110.2700 76.16679 33.70135 52.93356 21.86627 23.23322       40.17355 
1 1 1 -8  38 5  o 83.04897 20.54487 225.3617       99.50923 473.5079       315.6666 197.9818       104.8554 111.6609 39.08246 77.65724 22.01645 34.00362       44.85714 
1 1 1 -8  38 6  o 78.23938 22.04719 201.4437       105.4756 -229.5052      326.9398 251.5076       111.4339 66.53716 31.50201 87.29681 21.82558 -20.75965      38.32405 
1 1 1 -8  38 7  o 238.5722 10.75434 1707.968       150.0845 1803.794       358.3699 1687.586       165.2769 232.1203 26.81755 236.5089 11.95432 -4.388657      29.36131 
1 1 1 -8  38 8  o 64.38754 22.10148 126.7225       100.7303 -110.5628      321.8632 152.4866       106.0580 70.73418 32.75313 69.19745 22.66630 1.536728       39.83125 
1 1 1 -8  38 9  o 197.1774 11.49627 1172.959       132.3661 878.7820       336.8918 1226.663       143.9419 150.5956 38.11654 201.2754 12.25203 -50.67981      40.03727 
1 1 1 -8  38 10 o 219.0374 10.48379 1440.758       134.2840 1612.796       338.5836 1408.646       146.2806 218.2280 27.03234 216.0157 11.58893 2.212341       29.41175 
1 1 1 -8  38 11 o 133.1788 15.20247 550.6327       116.6164 492.5138       319.6988 559.5527       125.2462 111.2277 39.29855 133.7229 16.30698 -22.49516      42.54755 
1 1 1 -8  38 12 o 124.8828 16.70523 490.9533       119.2845 546.3324       329.5224 482.6022       127.9627 115.5947 39.96247 122.9908 18.29665 -7.396042      43.95186 
1 1 1 -8  38 13 o 151.6925 22.56416 759.0699       194.6369 174.8159       337.4743 1050.281       238.2558 86.02995 37.01566 178.0975 23.37416 -92.06757      43.77796 
1 1 1 -8  38 14 o 45.41507 22.01352 -245.7479      181.8549 -196.4903      356.3933 -263.0879      211.4549 69.19006 32.79697 49.40221 23.89612 19.78786       40.57913 
1 1 1 -8  38 15 o 122.1705 27.40814 527.9825       191.5355 283.2445       364.7829 621.1383       225.0549 92.89753 39.17170 130.6309 30.00821 -37.73335      49.34485 
1 1 1 -8  38 16 o 63.50711 27.47285 46.05316       187.8698 -45.79835      386.0071 74.56433       215.0600 76.54051 35.58815 68.69525 29.55305 7.845261       46.25905 
1 1 1 -8  38 17 o 60.03569 26.78853 -1.373924      191.7672 -14.79685      417.6182 2.212663       215.8721 79.11501 36.86305 63.18471 28.29163 15.93031       46.46827 
1 1 1 -8  38 18 o 91.89649 20.67497 284.4501       108.7240 -288.7310      426.1430 324.3585       112.4454 70.11099 33.91551 98.60345 20.12646 -28.49245      39.43775 
1 1 1 -8  38 19 o 95.53317 22.42290 314.1463       123.4617 0.000000       0.000000 314.1463       123.4617 ?        ?        95.53317 22.42290 0.000000       22.42290 
1 1 1 -8  38 20 o 91.62027 23.23763 293.8016       125.0294 0.000000       0.000000 293.8016       125.0294 ?        ?        91.62027 23.23763 0.000000       23.23763 
1 1 1 -8  38 21 o 73.90488 22.58141 189.1211       106.9022 480.2027       369.7219 162.5656       111.6722 101.3396 40.71378 69.24709 23.27750 32.09249       46.89834 
1 1 1 -8  38 22 o 56.44697 22.12318 83.87994       106.6299 278.2249       361.7007 65.38224       111.5890 87.14560 37.90630 54.58870 22.20964 32.55690       43.93354 
1 1 1 -8  38 23 o 111.4108 18.67414 412.1893       117.7027 570.3638       383.6303 395.7524       123.6672 104.9086 41.69798 108.0388 20.26163 -3.130257      46.36006 
1 1 1 -8  38 24 o 107.1468 20.47180 392.3129       123.9540 187.7810       395.1897 414.6305       130.5416 81.74114 37.27112 109.7977 21.03798 -28.05659      42.79875 
1 1 1 -8  38 25 o 50.25175 21.98503 15.26485       123.1879 12.92445       402.5467 15.50667       129.3957 74.48550 35.17215 51.22861 22.46902 23.25690       41.73652 
1 1 1 -8  38 26 o 169.9519 14.38024 914.6285       141.9878 0.000000       0.000000 914.6285       141.9878 ?        ?        169.9519 14.38024 0.000000       14.38024 
1 1 1 -8  38 27 o 76.75347 23.95269 216.6603       119.5317 244.0117       406.9602 214.0779       125.0473 82.32334 37.64524 76.07004 24.59039 6.253304       44.96500 
1 1 1 -8  38 28 o 84.96194 24.71307 271.3463       130.5079 0.000000       0.000000 271.3463       130.5079 ?        ?        84.96194 24.71307 0.000000       24.71307 
1 1 1 -8  38 29 o 78.16685 25.08338 230.8289       130.2713 0.000000       0.000000 230.8289       130.2713 ?        ?        78.16685 25.08338 0.000000       25.08338 
1 1 1 -8  39 1  o 62.51012 22.53278 113.8386       105.6280 -161.4116      227.8879 189.1542       119.2065 56.80893 26.71356 75.73277 23.96022 -18.92384      35.88463 
1 1 1 -8  39 2  o 62.50987 22.78035 112.2854       108.3498 -104.6246      252.7508 161.1212       119.9283 62.94669 29.10403 71.11068 24.12228 -8.163986      37.80118 
1 1 1 -8  39 3  o 77.79145 22.32197 200.9931       107.1483 78.00170       269.6406 224.0560       116.7629 75.60620 32.80915 81.75766 23.25106 -6.151459      40.21259 
1 1 1 -8  39 4  o 193.0006 11.84295 1127.074       133.4052 1407.848       319.5186 1067.795       146.8140 203.1129 27.53123 186.9906 13.47786 16.12230       30.65324 
1 1 1 -8  39 5  o 246.2359 10.90162 1824.383       157.0416 2288.633       356.9615 1712.964       174.8740 264.4646 23.25105 237.5737 12.59596 26.89090       26.44370 
1 1 1 -8  39 6  o 118.9086 17.21613 447.2025       116.5710 247.7737       345.1143 472.8861       123.8501 91.67404 38.34270 122.0191 17.83353 -30.34510      42.28709 
1 1 1 -8  39 7  f 72.70884 22.05039 174.2711       102.1893 554.2640       312.9305 128.9121       108.1164 117.1362 38.95892 64.98431 22.86265 52.15189       45.17188 
1 1 1 -8  39 8  o 130.9968 15.09920 533.3739       113.8821 603.3453       332.0466 524.0460       121.2355 120.7685 40.13019 129.2121 16.36487 -8.443520      43.33868 
1 1 1 -8  39 9  o 54.32930 21.17607 69.30309       97.25395 -333.3696      312.2606 112.5590       102.3443 60.04583 29.04309 61.71670 22.18831 -1.670864      36.54890 
1 1 1 -8  39 10 o 35.28424 16.71147 -95.82568      92.16831 -153.3798      302.2685 -89.92591      96.77710 65.57499 30.81375 36.87563 17.36139 28.69936       35.36813 
1 1 1 -8  39 11 o 50.96161 21.06128 40.01361       102.3636 172.8455       311.5602 23.93981       108.3802 83.57824 35.75587 50.08755 21.24667 33.49069       41.59210 
1 1 1 -8  39 12 o 100.9752 20.21735 336.7241       115.5468 24.01500       306.2845 388.6138       124.7657 73.94712 33.35505 108.5935 20.33749 -34.64642      39.06627 
1 1 1 -8  39 13 o 49.00969 20.97083 17.99902       107.2070 -346.0794      310.8240 67.15977       114.2159 58.67162 28.51806 56.06983 22.59314 2.601795       36.38310 
1 1 1 -8  39 14 o 67.76000 23.23583 149.6468       111.3280 -25.73886      339.3536 170.7988       117.8502 73.24814 33.81608 71.45193 23.91147 1.796204       41.41601 
1 1 1 -8  39 15 o 56.03482 21.90974 78.57507       104.3762 -136.5791      370.8420 97.08559       108.7735 70.84734 33.54498 59.22477 22.57460 11.62258       40.43363 
1 1 1 -8  39 16 o 82.67834 21.60499 233.8768       105.9018 75.71912       361.1946 248.7516       110.7700 78.75635 35.80193 85.08400 22.02771 -6.327652      42.03567 
1 1 1 -8  39 17 o 68.59239 22.49448 157.9839       104.4429 782.2228       373.8639 105.1429       108.7736 127.4999 42.58762 60.19534 22.65861 67.30455       48.24021 
1 1 1 -8  39 18 o 121.1870 16.43298 470.7086       113.7881 634.5803       382.0000 454.7526       119.1991 112.9983 42.47777 118.2945 17.72668 -5.296181      46.02821 
1 1 1 -8  39 19 o 84.12061 22.31015 247.0509       111.8525 -113.4719      366.7992 284.0128       117.4463 69.87074 33.16404 90.27790 22.31202 -20.40716      39.97099 
1 1 1 -8  39 20 o 96.05756 21.81661 320.1172       120.0940 0.000000       0.000000 320.1172       120.0940 ?        ?        96.05756 21.81661 0.000000       21.81661 
1 1 1 -8  39 21 o 77.41698 25.33292 217.0237       132.4958 0.000000       0.000000 217.0237       132.4958 ?        ?        77.41698 25.33292 0.000000       25.33292 
1 1 1 -8  39 22 o 83.03893 25.66449 255.9806       137.5984 0.000000       0.000000 255.9806       137.5984 ?        ?        83.03893 25.66449 0.000000       25.66449 
1 1 1 -8  39 23 o 42.17865 19.58852 -65.07344      116.4218 46.23642       354.1153 -78.56278      123.2745 73.32705 34.09141 42.53920 19.88905 30.78785       39.46896 
1 1 1 -8  39 24 o 63.72129 23.80937 132.1191       119.6362 61.21208       338.6000 142.2338       127.8847 72.76604 33.65888 65.57541 24.59301 7.190636       41.68616 
1 1 1 -8  39 25 o 60.97904 23.65815 113.7632       120.9503 99.21112       309.0428 116.3953       131.4344 72.37366 32.98426 62.09154 24.49307 10.28212       41.08372 
1 1 1 -8  39 26 o 46.97586 20.73274 4.765271       111.7708 -315.9495      278.2426 66.47533       122.0512 53.08320 26.05212 55.04017 22.89424 -1.956970      34.68226 
1 1 1 -8  39 27 o 46.27851 20.86815 -17.02816      119.7782 419.9655       302.7325 -98.13369      130.4208 92.21172 36.91148 42.22396 19.96279 49.98777       41.96392 
1 1 1 -8  39 28 o 82.45229 24.66632 258.0019       128.5084 0.000000       0.000000 258.0019       128.5084 ?        ?        82.45229 24.66632 0.000000       24.66632 
1 1 1 -8  40 1  o 224.0628 16.97710 1573.544       221.4317 1902.604       274.2347 957.0844       375.3513 244.2334 19.30233 151.0236 41.23008 93.20982       45.52471 
1 1 1 -8  40 2  o 109.2636 17.88572 382.5426       110.6507 199.0526       267.4764 420.4275       121.5381 83.33305 34.20126 114.1661 18.80626 -30.83305      39.03077 
1 1 1 -8  40 3  o 101.3416 18.82281 333.1484       107.7550 442.2688       270.0864 312.4913       117.5126 106.1202 36.19681 96.87265 21.26795 9.247513       41.98256 
1 1 1 -8  40 4  o 99.19029 19.44868 321.6421       109.0930 -63.51614      283.7511 388.4495       118.1762 67.66568 31.12424 109.4229 19.11001 -41.75722      36.52274 
1 1 1 -8  40 5  o 130.2307 15.56751 531.1061       116.5479 307.5383       298.2560 571.3964       126.6150 92.96647 36.82586 134.7026 16.36240 -41.73612      40.29730 
1 1 1 -8  40 6  o 173.2763 12.59959 917.3303       127.1653 983.7426       325.2032 905.3423       138.1665 159.2091 35.71051 171.4177 13.86163 -12.20862      38.30647 
1 1 1 -8  40 7  o 55.26058 22.02384 67.52946       107.3031 369.8822       319.7511 29.15846       113.9086 97.83975 38.32083 51.55607 21.82180 46.28368       44.09850 
1 1 1 -8  40 8  o 85.12138 21.51052 244.7330       107.4122 433.8327       347.4076 224.7457       112.9462 102.5150 40.00433 81.13634 22.79742 21.37863       46.04420 
1 1 1 -8  40 9  o 127.6020 16.35771 515.8740       119.6018 704.3033       329.2835 487.2370       128.3689 127.5306 39.74889 122.7994 18.38942 4.731140       43.79663 
1 1 1 -8  40 10 o 99.77460 19.48687 328.6430       109.9364 254.2516       327.1513 338.1130       116.7242 88.08863 37.11745 100.6868 20.46526 -12.59819      42.38551 
1 1 1 -8  40 11 o 48.03728 20.39643 22.67777       100.0417 -32.56487      298.0157 29.69366       106.2046 69.24377 31.86717 49.97806 21.10835 19.26571       38.22406 
1 1 1 -8  40 12 o 70.98848 22.55773 170.2786       105.5593 -440.0426      300.4092 256.2510       112.7492 54.19748 26.69172 86.36736 22.15371 -32.16988      34.68768 
1 1 1 -8  40 13 o 129.0385 15.32657 525.3859       113.7253 578.3344       305.0859 516.8412       122.5586 114.7288 38.47377 127.0603 16.86279 -12.33154      42.00697 
1 1 1 -8  40 14 o 56.61724 21.91478 84.74432       103.5992 347.0797       297.8236 48.63126       110.5001 92.98509 36.80997 52.73450 21.84634 40.25059       42.80463 
1 1 1 -8  40 15 o 56.68380 21.91519 86.05157       103.5143 300.4084       307.2864 58.61297       109.9400 88.88290 36.58766 53.77987 21.98283 35.10303       42.68374 
1 1 1 -8  40 16 o 104.0096 19.01778 359.0204       111.7333 485.8070       339.6678 343.6366       118.3180 102.4120 39.67020 100.6337 20.73739 1.778252       44.76342 
1 1 1 -8  40 17 o 74.31667 23.11462 193.5005       111.4143 -170.5686      336.0583 238.4582       118.0932 65.10658 31.13624 81.95388 23.40819 -16.84730      38.95393 
1 1 1 -8  40 18 o 73.17181 23.51581 188.4104       114.4672 178.8972       324.9379 189.7583       122.3075 79.76652 35.27097 73.31513 24.35538 6.451385       42.86287 
1 1 1 -8  40 19 o 59.64237 23.11622 102.3839       115.3842 284.7761       360.1023 81.51524       121.8064 86.26939 37.66890 57.57314 23.28436 28.69625       44.28439 
1 1 1 -8  40 20 f 82.54290 23.37719 245.7325       118.2797 170.3247       359.9091 254.8629       125.2358 79.49364 35.97835 83.58974 24.17790 -4.096100      43.34758 
1 1 1 -8  40 21 o 67.11913 23.94100 154.2887       118.9024 113.9270       357.2997 159.3152       126.0890 76.38659 35.05840 68.08205 24.60834 8.304543       42.83295 
1 1 1 -8  40 22 o 68.88908 26.19746 161.5107       146.2748 0.000000       0.000000 161.5107       146.2748 ?        ?        68.88908 26.19746 0.000000       26.19746 
1 1 1 -8  40 23 o 55.04030 24.29576 25.31818       153.5456 0.000000       0.000000 25.31818       153.5456 ?        ?        55.04030 24.29576 0.000000       24.29576 
1 1 1 -8  40 24 o 51.43244 23.14721 -5.884025      146.5553 -258.4754      342.8783 50.57799       162.1097 60.58195 29.55916 58.00447 25.30160 2.577488       38.90906 
1 1 1 -8  40 25 o 59.36829 24.32063 93.39164       134.9369 54.45463       264.0822 107.1495       156.9761 66.81843 30.46718 62.69703 26.01173 4.121403       40.06069 
1 1 1 -8  40 26 o 48.09527 21.95668 -28.98077      137.6917 236.0515       238.2643 -161.8723      168.7168 77.51511 32.09283 45.00165 21.66196 32.51345       38.71938 
1 1 1 -8  41 1  o 145.1534 14.88346 658.5945       124.9090 868.1968       262.3143 597.1309       142.0473 153.7185 30.17454 136.0883 18.25783 17.63019       35.26828 
1 1 1 -8  41 2  o 64.60755 23.12580 130.3193       111.0415 208.4716       274.5815 115.0392       121.4125 82.69836 34.36405 63.14755 23.90132 19.55081       41.85882 
1 1 1 -8  41 3  o 82.94045 22.99822 237.3562       115.7642 540.7994       292.2292 180.8737       126.0788 112.8958 37.65081 73.20697 24.73376 39.68885       45.04822 
1 1 1 -8  41 4  o 235.0001 11.33117 1677.374       155.7083 1729.464       311.4693 1660.019       179.7863 225.8590 23.87500 232.3148 13.25055 -6.455795      27.30555 
1 1 1 -8  41 5  o 170.1617 13.51469 894.7400       133.7638 1087.850       302.4312 847.7753       149.1452 170.7211 31.36102 164.1825 15.67954 6.538589       35.06226 
1 1 1 -8  41 6  o 245.6812 17.72346 1925.458       253.6541 1658.283       349.6070 2222.429       368.5872 215.1028 28.40669 254.2213 25.04664 -39.11845      37.87181 
1 1 1 -8  41 7  o 47.43679 20.77190 0.3962785      110.1836 -655.7678      320.5158 88.33218       117.3347 51.14990 25.58216 58.89626 23.16981 -7.746353      34.51502 
1 1 1 -8  41 8  o 85.81905 23.57121 257.3664       122.2537 212.8726       337.2853 264.0962       131.1738 84.94434 36.77853 86.41765 24.66647 -1.473312      44.28425 
1 1 1 -8  41 9  o 50.40067 21.44202 27.57393       110.9361 330.6635       362.6700 -3.712625      116.5212 92.69612 39.07086 48.12396 21.20698 44.57216       44.45523 
1 1 1 -8  41 10 o 126.7717 17.03647 516.5339       123.4604 877.1911       368.5558 470.9474       131.0309 136.9200 41.94631 119.5025 19.35752 17.41750       46.19747 
1 1 1 -8  41 11 o 109.0658 19.34063 394.3052       119.1819 538.3359       345.9286 374.9063       126.9546 107.2633 40.40083 105.0114 21.34239 2.251945       45.69163 
1 1 1 -8  41 12 o 86.99853 21.80544 261.6178       111.0274 94.26738       336.4650 282.0669       117.6153 77.11107 34.85435 90.07193 22.36735 -12.96086      41.41406 
1 1 1 -8  41 13 o 32.73051 15.93368 -152.3756      98.05684 -340.1729      319.8118 -132.8892      103.0186 58.29211 28.46488 35.02647 16.87714 23.26564       33.09211 
1 1 1 -8  41 14 o 147.4397 13.93327 680.8876       119.0518 399.2952       315.3909 727.6776       128.5628 95.11433 37.80701 151.9907 14.60219 -56.87636      40.52893 
1 1 1 -8  41 15 o 125.7250 16.20180 508.4815       116.6892 124.1275       321.7719 566.6829       125.2129 76.58583 34.39692 132.6301 16.44980 -56.04428      38.12799 
1 1 1 -8  41 16 o 53.78118 22.06934 61.03111       111.3515 251.3028       313.0975 33.48021       119.1408 83.40192 35.76560 51.72615 22.11957 31.67577       42.05299 
1 1 1 -8  41 17 o 68.71364 23.50477 163.8531       113.9030 -326.6707      318.5224 235.7769       121.9681 57.65212 28.20680 80.62295 24.00929 -22.97083      37.04145 
1 1 1 -8  41 18 o 46.41735 20.74803 -12.05218      115.5653 -89.12666      333.0005 -1.498370      123.2237 66.60525 31.60976 48.70136 21.61775 17.90388       38.29496 
1 1 1 -8  41 19 f 64.55030 24.01619 136.7611       121.4683 253.5857       342.7425 119.9802       129.8997 82.83617 36.44250 62.78927 24.47350 20.04690       43.89770 
1 1 1 -8  41 20 o 200.0401 12.90080 1248.627       150.5437 1018.479       351.5889 1300.295       166.5872 144.9834 40.03292 202.9971 14.07994 -58.01375      42.43677 
1 1 1 -8  41 21 o 174.0421 14.89308 967.3744       150.5564 1608.288       373.9965 843.4243       164.4718 196.1250 33.73099 159.6468 17.87271 36.47818       38.17347 
1 1 1 -8  41 22 o 165.6313 17.54562 905.4421       167.8473 513.5138       327.0876 1045.541       195.5591 98.83447 38.74389 176.1477 19.24262 -77.31326      43.25930 
1 1 1 -8  41 23 o 68.92337 27.12546 162.8657       160.8754 0.000000       0.000000 162.8657       160.8754 ?        ?        68.92337 27.12546 0.000000       27.12546 
1 1 1 -8  41 24 o 69.12849 27.80388 163.5046       172.6320 0.000000       0.000000 163.5046       172.6320 ?        ?        69.12849 27.80388 0.000000       27.80388 
1 1 1 -8  42 1  o 84.92010 23.70537 253.6272       122.5456 238.4111       273.5019 257.4492       137.0751 83.77163 34.50425 84.75529 25.50278 -0.9836578     42.90612 
1 1 1 -8  42 2  o 86.86516 23.75175 265.7372       124.4533 105.1407       280.2582 305.1850       138.8998 74.70491 32.90615 92.38100 25.02327 -17.67609      41.33979 
1 1 1 -8  42 3  o 164.8065 13.96571 845.7022       133.7160 1315.690       299.3237 728.5246       149.4584 191.5320 27.42909 150.6440 17.22615 40.88806       32.38974 
1 1 1 -8  42 4  f 86.80497 23.92430 266.4030       125.6985 -113.7511      292.3036 352.6518       139.2294 64.17760 30.20218 100.0080 24.03692 -35.83037      38.59981 
1 1 1 -8  42 5  o 39.85049 18.95378 -120.1044      121.0328 -127.3444      307.8867 -118.7810      131.6300 64.99624 30.71201 42.06388 19.93675 22.93236       36.61559 
1 1 1 -8  42 6  o 47.31705 20.88021 -4.265205      113.3264 80.16862       290.8158 -19.38243      123.0540 73.57724 32.89899 47.69612 21.35809 25.88112       39.22387 
1 1 1 -8  42 7  o 64.65248 24.15435 129.5901       123.1205 430.7821       312.7712 74.36062       133.9339 98.83878 38.12591 58.68831 24.15638 40.15047       45.13442 
1 1 1 -8  42 8  o 38.48356 18.36672 -122.4373      115.6766 -117.7592      340.1473 -123.0491      123.0082 67.66240 32.06341 39.97488 19.03974 27.68752       37.29040 
1 1 1 -8  42 9  o 51.24153 22.35425 14.66782       126.5739 307.5802       341.1708 -32.08348      136.3012 88.79725 37.68298 48.76500 22.09878 40.03225       43.68481 
1 1 1 -8  42 10 o 58.11085 23.32626 84.21478       121.2515 540.7991       380.0986 32.48858       127.9355 103.8544 41.43100 53.13729 22.82598 50.71712       47.30278 
1 1 1 -8  42 11 o 58.36833 23.41154 86.38002       122.0408 -326.4300      373.6400 135.6802       129.1227 62.99370 30.76215 65.44550 24.67584 -2.451801      39.43612 
1 1 1 -8  42 12 o 39.43740 18.80301 -120.9737      120.6032 -711.6657      361.7676 -47.11794      127.9208 53.01528 26.60970 45.92937 21.04154 7.085915       33.92377 
1 1 1 -8  42 13 o 45.11470 20.36442 -25.58826      114.4076 3.941168       354.6448 -29.01834      120.8697 72.20798 33.75206 46.01419 20.83542 26.19379       39.66505 
1 1 1 -8  42 14 o 33.13396 16.29154 -196.3871      110.4235 -195.2721      325.1408 -196.5325      117.4014 62.31794 30.01610 34.62015 16.97689 27.69779       34.48450 
1 1 1 -8  42 15 o 42.82799 19.86873 -64.02494      119.2857 -192.2318      332.2177 -45.04974      127.8086 62.86589 30.29539 45.84022 21.01249 17.02567       36.86917 
1 1 1 -8  42 16 o 55.72462 22.83491 71.66252       118.9996 -110.2683      306.7024 103.9045       129.1144 63.56539 30.21563 60.70942 24.17081 2.855968       38.69383 
1 1 1 -8  42 17 o 87.95140 23.86619 283.2459       126.2169 954.8665       319.6561 159.1941       137.3797 145.0758 37.34839 68.20159 25.50779 76.87424       45.22775 
1 1 1 -8  42 18 o 113.1114 21.01940 444.4305       134.3054 587.7629       321.3215 414.0886       147.8390 106.4493 39.15914 106.3296 24.24690 0.1197281      46.05812 
1 1 1 -8  42 19 f 160.8711 15.76677 836.0562       146.8466 623.7183       332.5156 887.5023       163.6720 107.9025 39.81082 164.3412 17.23779 -56.43862      43.38251 
1 1 1 -8  42 20 o 55.37953 23.87390 48.80542       140.9059 68.53268       340.8839 44.74018       154.7447 71.94479 33.44865 56.61731 24.70791 15.32748       41.58477 
1 1 1 -8  42 21 o 109.5252 24.50102 444.0552       153.4352 531.6683       352.2817 423.5439       170.4521 98.21395 39.64197 103.7722 27.54985 -5.558243      48.27505 
1 1 1 -8  42 22 o 75.33127 28.09340 219.9413       166.4025 -85.85970      330.1007 324.1233       192.6740 64.55202 30.86777 87.23333 30.53361 -22.68131      43.41797 
1 1 1 -8  43 1  o 139.7840 16.44728 627.7598       132.2574 872.7332       277.0651 555.4658       150.5128 147.9300 32.79660 128.2702 20.71319 19.65982       38.78986 
1 1 1 -8  43 2  o 152.2688 15.54307 737.3238       136.8582 999.5098       286.1432 659.5572       155.8386 160.2470 31.57037 141.0433 19.34908 19.20367       37.02803 
1 1 1 -8  43 3  o 84.53020 24.43090 257.9894       127.9164 18.68712       284.7792 318.4746       143.1725 68.81097 31.47564 93.24979 25.46649 -24.43882      40.48775 
1 1 1 -8  43 4  o 133.9412 18.27380 588.9435       139.8073 712.7162       299.2142 554.3741       158.1305 125.9190 37.63085 126.9713 22.03399 -1.052315      43.60708 
1 1 1 -8  43 5  o 72.10057 25.11337 181.7249       130.2475 385.6112       288.9075 129.7150       145.9175 93.93636 36.53089 65.79425 25.85193 28.14211       44.75297 
1 1 1 -8  43 6  o 57.09871 23.60372 69.83443       128.6145 -178.8995      289.1866 131.1648       143.5980 60.19267 28.81241 65.75189 25.70172 -5.559219      38.61002 
1 1 1 -8  43 7  o 50.99029 22.10036 21.98289       122.0453 -288.0030      281.9990 93.42614       135.3808 55.48818 27.01435 60.47058 24.51439 -4.982395      36.47918 
1 1 1 -8  43 8  o 68.19987 25.29210 155.7028       134.5142 -94.97318      329.9580 205.6679       147.3112 66.61672 31.57130 75.40213 26.67295 -8.785408      41.33030 
1 1 1 -8  43 9  o 44.31474 20.42332 -54.67520      123.0199 -329.7318      368.6072 -20.19806      130.5023 61.91731 30.30411 48.37979 21.80197 13.53752       37.33183 
1 1 1 -8  43 10 o 90.01747 25.25767 300.2738       138.7408 -47.05309      372.3568 356.2676       149.5066 70.93349 33.59394 97.85739 25.71848 -26.92390      42.30831 
1 1 1 -8  43 11 o 114.6941 21.42929 455.1545       138.8459 648.8145       359.6005 421.2250       150.5183 110.5712 41.28600 107.8014 24.38062 2.769836       47.94735 
1 1 1 -8  43 12 o 85.82880 24.70470 271.9021       131.0506 -98.92110      335.4597 338.6878       142.3636 66.27972 31.53281 95.66729 25.07429 -29.38757      40.28695 
1 1 1 -8  43 13 o 45.52499 20.81255 -39.86380      124.2842 14.64227       327.0387 -49.06445      134.3649 70.09821 32.64818 46.58248 21.42334 23.51572       39.04950 
1 1 1 -8  43 14 o 45.46056 20.96350 -52.40623      129.8807 185.2494       348.7565 -90.67397      139.9473 78.71664 35.54158 44.60906 20.96337 34.10759       41.26339 
1 1 1 -8  43 15 o 48.71071 22.09128 -22.97872      136.5285 -231.7636      358.0316 12.54730       147.6880 62.77884 30.53557 53.21270 23.64082 9.566139       38.61747 
1 1 1 -8  43 16 o 91.71089 27.61577 331.8880       160.6877 254.9492       341.2631 353.8055       182.1429 81.39603 36.06115 92.80433 29.64740 -11.40829      46.68378 
1 1 1 -8  43 17 o 107.2111 26.66794 441.7724       166.9867 89.64165       348.2997 546.8694       190.2814 73.26195 33.97498 118.4727 27.85735 -45.21077      43.93554 
1 1 1 -8  43 18 o 45.62746 21.39013 -81.89832      144.1923 -539.0081      346.5854 13.78227       158.5667 53.78431 26.85431 54.47928 24.33092 -0.6949768     36.23738 
1 1 1 -8  43 19 o 48.78891 22.23190 -25.62727      140.3244 102.9972       336.1980 -52.76234      154.4183 72.76427 33.61606 48.97860 22.68180 23.78566       40.55248 
1 1 1 -8  44 1  o 125.0043 18.26982 517.0034       129.9842 807.3376       265.2058 425.2067       149.1239 140.5908 32.77204 108.7678 24.01989 31.82301       40.63203 
1 1 1 -8  44 2  o 86.14648 24.43901 271.6015       129.1582 652.8387       279.4769 168.0657       145.6443 120.2147 36.46762 70.10108 26.25451 50.11359       44.93536 
1 1 1 -8  44 3  o 49.94821 22.17723 0.7511657E-01  129.7723 -48.59116      290.5350 12.20454       145.0455 65.13007 30.47804 53.28460 23.56300 11.84547       38.52435 
1 1 1 -8  44 4  o 40.97390 19.58033 -131.5215      132.3615 212.4994       303.8795 -212.0726      147.0432 79.84943 34.73848 39.64631 19.34709 40.20312       39.76270 
1 1 1 -8  44 5  o 67.94942 25.72422 153.8997       140.6558 -206.2540      304.9760 251.2049       158.5221 60.05551 28.96249 81.23746 27.73043 -21.18196      40.09742 
1 1 1 -8  44 6  o 55.54719 23.73895 49.23685       137.0715 -438.5191      333.1221 148.6518       150.3932 55.77307 27.58649 67.71959 26.35089 -11.94652      38.14949 
1 1 1 -8  44 7  o 118.9971 22.83561 499.9114       153.5732 222.8280       355.6922 563.3992       170.2606 81.56309 36.43288 125.3865 24.02762 -43.82341      43.64265 
1 1 1 -8  44 8  o 92.41947 25.22507 318.2572       140.5183 797.1467       366.2409 235.5917       152.1638 121.8305 42.12961 78.96120 27.16204 42.86934       50.12664 
1 1 1 -8  44 9  o 118.7762 21.23005 488.7883       142.4590 59.66257       353.7203 571.8701       155.6397 73.26626 34.06629 128.4973 21.40530 -55.23106      40.23306 
1 1 1 -8  44 10 o 71.44493 25.14528 184.0319       130.7921 27.06228       339.6404 211.3626       141.7218 70.89015 33.10133 75.39095 26.20002 -4.500801      42.21539 
1 1 1 -8  44 11 o 54.45875 23.06551 54.14906       127.4017 -48.62036      347.1699 70.14272       136.9570 68.09013 32.30307 57.27104 24.06700 10.81909       40.28286 
1 1 1 -8  44 12 o 56.42821 23.51646 71.10139       129.1315 19.74463       349.7325 79.20805       138.9499 70.67860 33.19078 58.35306 24.36213 12.32554       41.17210 
1 1 1 -8  44 13 o 63.10189 25.42665 118.3775       144.6609 -60.50224      351.8965 154.7547       158.6898 67.62623 32.20805 68.05340 26.89181 -0.4271698     41.95864 
1 1 1 -8  44 14 o 86.10944 27.20907 291.3178       153.7690 164.5361       390.2136 314.6245       167.3070 77.93841 36.08010 88.43053 28.43096 -10.49212      45.93575 
1 1 1 -8  44 15 o 178.1543 17.37847 1046.050       179.2701 772.7758       417.4098 1107.857       198.5107 110.6450 43.64771 181.5750 18.91850 -70.93002      47.57133 
1 1 1 -8  44 16 o 102.2021 33.52917 475.1491       232.0361 568.6808       451.9948 441.6794       270.3836 95.52312 41.94255 95.18436 35.74652 0.3387604      55.10890 
1 1 1 -8  45 1  o 82.73130 25.21312 256.8595       133.3847 597.2782       290.4684 165.8936       150.1522 110.8222 37.54157 69.36079 26.50240 41.46136       45.95375 
1 1 1 -8  45 2  o 45.00978 20.86373 -60.97934      131.1231 -122.8673      286.6427 -44.60191      147.4555 60.87846 29.01519 48.85706 22.45964 12.02140       36.69219 
1 1 1 -8  45 3  o 59.93211 24.34208 96.69408       133.7772 433.9681       287.5381 3.520296       151.1301 95.12617 36.59179 52.97511 23.69962 42.15106       43.59622 
1 1 1 -8  45 4  o 87.18702 26.61356 293.2857       148.5354 83.71387       302.6237 359.7966       170.4838 71.21536 32.52662 95.03431 28.40593 -23.81895      43.18423 
1 1 1 -8  45 5  o 93.28020 26.58512 335.5327       152.4871 354.4580       335.3803 330.6008       171.2068 87.60076 37.27549 90.71935 28.71611 -3.118591      47.05398 
1 1 1 -8  45 6  o 110.5518 24.65582 450.5222       155.7862 444.2780       332.7193 452.2755       176.3062 93.72102 38.26771 107.6268 27.75268 -13.90583      47.27186 
1 1 1 -8  45 7  o 75.30355 27.00074 213.5470       151.4409 208.0443       343.6277 214.8734       168.7085 79.00903 35.51059 75.44220 28.25654 3.566826       45.38099 
1 1 1 -8  45 8  o 98.31987 27.38746 378.6557       163.7596 -24.97609      370.1554 476.8816       182.6016 69.97324 33.24231 110.0291 28.17728 -40.05582      43.57764 
1 1 1 -8  45 9  o 69.22243 26.01621 169.2912       143.2775 19.31653       358.9174 197.7208       156.2686 70.93359 33.40804 73.10369 27.23201 -2.170105      43.10081 
1 1 1 -8  45 10 o 65.42741 25.69142 139.0762       144.0320 -141.8935      378.3885 186.6842       155.7573 66.43881 32.09512 71.67699 27.08470 -5.238174      41.99616 
1 1 1 -8  45 11 o 55.40707 24.02429 45.32270       144.3366 -232.5418      352.6651 101.2314       158.1924 61.85966 30.13727 62.15983 25.97606 -0.3001747     39.78706 
1 1 1 -8  45 12 o 132.4722 20.84798 610.0195       156.6251 85.07600       363.2635 729.8906       173.5892 73.16621 34.18678 144.8403 21.05124 -71.67405      40.14836 
1 1 1 -8  45 13 o 141.8494 20.72420 699.1464       167.3188 721.5634       379.7438 693.7460       186.3863 108.9991 42.01923 137.9124 23.91030 -28.91333      48.34582 
1 1 1 -8  46 1  o 52.30102 23.63598 -8.692286      154.6491 0.000000       0.000000 -8.692286      154.6491 ?        ?        52.30102 23.63598 0.000000       23.63598 
1 1 1 -8  46 2  f 50.15870 22.16693 11.13001       128.1755 381.1653       300.6730 -71.05007      141.6955 89.40292 36.42580 45.94375 21.42886 43.45917       42.26151 
1 1 1 -8  46 3  o 52.72378 22.95171 31.83825       132.8239 331.9380       304.0063 -38.96383      147.6634 85.61140 35.90900 49.05529 22.52307 36.55611       42.38803 
1 1 1 -8  46 4  o 55.04869 23.81280 45.65620       141.1350 -239.9220      295.3954 130.1307       160.6587 56.95485 27.71036 65.28297 26.61597 -8.328114      38.42231 
1 1 1 -8  46 5  o 52.07221 23.33140 3.258948       147.0769 -263.5563      293.7359 92.53533       169.9104 55.97381 27.32129 62.21043 26.50361 -6.236618      38.06434 
1 1 1 -8  46 6  o 75.74905 27.02041 220.4248       151.4589 462.4182       298.7058 136.6767       175.7233 95.34680 37.12662 66.65765 27.57584 28.68916       46.24730 
1 1 1 -8  46 7  o 127.7513 22.24359 580.7149       160.6043 447.1497       304.1250 632.3676       189.1263 93.49809 37.13825 129.6007 25.78992 -36.10264      45.21471 
1 1 1 -7  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  2  o 575.1003 14.26165 9729.869       480.3525 9729.869       480.3525 9729.869       480.3525 575.1003 14.26165 575.1003 14.26165 -0.000000      0.000000 
1 1 1 -7  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  4  o 124.4223 11.84791 466.6395       84.54272 466.6395       84.54272 466.6395       84.54272 124.4223 11.84791 124.4223 11.84791 0.000000       0.000000 
1 1 1 -7  0  5  o 571.9860 14.16694 9626.984       474.5803 9626.984       474.5803 9626.984       474.5803 571.9860 14.16694 571.9860 14.16694 -0.000000      0.000000 
1 1 1 -7  0  6  o 249.8388 9.135921 1839.062       133.4570 1839.062       133.4570 1839.062       133.4570 249.8388 9.135921 249.8388 9.135921 -0.000000      0.000000 
1 1 1 -7  0  7  o 380.5349 10.57812 4260.935       235.6645 4260.935       235.6645 4260.935       235.6645 380.5349 10.57812 380.5349 10.57812 0.000000       0.000000 
1 1 1 -7  0  8  o 534.9161 13.36585 8422.662       418.7163 8422.662       418.7163 8422.662       418.7163 534.9161 13.36585 534.9161 13.36585 -0.000000      0.000000 
1 1 1 -7  0  9  o 622.9504 15.12755 11429.55       551.9424 11429.55       551.9424 11429.55       551.9424 622.9504 15.12755 622.9504 15.12755 0.000000       0.000000 
1 1 1 -7  0  10 o 853.7618 19.97691 21503.04       999.0292 21503.04       999.0292 21503.04       999.0292 853.7618 19.97691 853.7618 19.97691 0.000000       0.000000 
1 1 1 -7  0  11 o 209.0368 8.442204 1288.492       103.1129 1288.492       103.1129 1288.492       103.1129 209.0368 8.442204 209.0368 8.442204 0.000000       0.000000 
1 1 1 -7  0  12 o 1124.132 25.85753 37317.67       1702.690 37317.67       1702.690 37317.67       1702.690 1124.132 25.85753 1124.132 25.85753 -0.000000      0.000000 
1 1 1 -7  0  13 o 828.1330 19.40269 20194.51       941.1826 20194.51       941.1826 20194.51       941.1826 828.1330 19.40269 828.1330 19.40269 0.000000       0.000000 
1 1 1 -7  0  14 o 419.6386 11.14103 5178.369       273.7529 5178.369       273.7529 5178.369       273.7529 419.6386 11.14103 419.6386 11.14103 -0.000000      0.000000 
1 1 1 -7  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  16 o 291.6599 9.253489 2503.024       157.9213 2503.024       157.9213 2503.024       157.9213 291.6599 9.253489 291.6599 9.253489 0.000000       0.000000 
1 1 1 -7  0  17 f 851.1935 19.92933 21324.03       993.6505 21324.03       993.6505 21324.03       993.6505 851.1935 19.92933 851.1935 19.92933 0.000000       0.000000 
1 1 1 -7  0  18 o 335.0922 10.23402 3303.735       200.6976 3303.735       200.6976 3303.735       200.6976 335.0922 10.23402 335.0922 10.23402 0.000000       0.000000 
1 1 1 -7  0  19 o 359.8210 10.88628 3809.570       229.2531 3809.570       229.2531 3809.570       229.2531 359.8210 10.88628 359.8210 10.88628 0.000000       0.000000 
1 1 1 -7  0  20 o 460.2593 12.32729 6231.121       332.2125 6231.121       332.2125 6231.121       332.2125 460.2593 12.32729 460.2593 12.32729 -0.000000      0.000000 
1 1 1 -7  0  21 o 541.7078 13.69462 8632.452       434.4483 8632.452       434.4483 8632.452       434.4483 541.7078 13.69462 541.7078 13.69462 -0.000000      0.000000 
1 1 1 -7  0  22 o 198.0736 10.10600 1160.326       116.6957 1160.326       116.6957 1160.326       116.6957 198.0736 10.10600 198.0736 10.10600 0.000000       0.000000 
1 1 1 -7  0  23 o 487.2190 12.61975 6985.138       360.0532 6985.138       360.0532 6985.138       360.0532 487.2190 12.61975 487.2190 12.61975 0.000000       0.000000 
1 1 1 -7  0  24 o 289.8577 8.352552 2471.690       141.7221 2471.690       141.7221 2471.690       141.7221 289.8577 8.352552 289.8577 8.352552 -0.000000      0.000000 
1 1 1 -7  0  25 o 323.0050 8.469185 3068.474       160.1865 3068.474       160.1865 3068.474       160.1865 323.0050 8.469185 323.0050 8.469185 -0.000000      0.000000 
1 1 1 -7  0  26 o 333.9475 8.348291 3279.711       163.2724 3279.711       163.2724 3279.711       163.2724 333.9475 8.348291 333.9475 8.348291 0.000000       0.000000 
1 1 1 -7  0  27 f 90.72720 13.93205 258.5349       68.94234 258.5349       68.94234 258.5349       68.94234 90.72720 13.93205 90.72720 13.93205 0.000000       0.000000 
1 1 1 -7  0  28 o 369.6961 8.807648 4020.694       190.7209 4020.694       190.7209 4020.694       190.7209 369.6961 8.807648 369.6961 8.807648 -0.000000      0.000000 
1 1 1 -7  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  30 o 21.14934 14.97930 -98.51688      76.99068 -98.51688      76.99068 -98.51688      76.99068 21.14934 14.97930 21.14934 14.97930 -0.000000      0.000000 
1 1 1 -7  0  31 o 221.4982 8.720809 1448.131       112.8867 1448.131       112.8867 1448.131       112.8867 221.4982 8.720809 221.4982 8.720809 0.000000       0.000000 
1 1 1 -7  0  32 o 181.8618 10.00922 981.1134       106.0117 981.1134       106.0117 981.1134       106.0117 181.8618 10.00922 181.8618 10.00922 -0.000000      0.000000 
1 1 1 -7  0  33 o 48.81673 25.66308 103.1154       97.28227 103.1154       97.28227 103.1154       97.28227 48.81673 25.66308 48.81673 25.66308 0.000000       0.000000 
1 1 1 -7  0  34 o 428.1839 10.49168 5401.282       263.1093 5401.282       263.1093 5401.282       263.1093 428.1839 10.49168 428.1839 10.49168 -0.000000      0.000000 
1 1 1 -7  0  35 o 33.19494 21.62859 -8.248147      102.1480 -8.248147      102.1480 -8.248147      102.1480 33.19494 21.62859 33.19494 21.62859 0.000000       0.000000 
1 1 1 -7  0  36 o 524.7593 11.42512 8119.612       351.2421 8119.612       351.2421 8119.612       351.2421 524.7593 11.42512 524.7593 11.42512 0.000000       0.000000 
1 1 1 -7  0  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  40 o 215.4332 11.72316 1382.565       147.1090 1382.565       147.1090 1382.565       147.1090 215.4332 11.72316 215.4332 11.72316 -0.000000      0.000000 
1 1 1 -7  0  41 o 32.25978 21.77071 -48.82132      119.6516 -48.82132      119.6516 -48.82132      119.6516 32.25978 21.77071 32.25978 21.77071 -0.000000      0.000000 
1 1 1 -7  0  42 o 108.4408 20.79762 389.7700       118.1974 389.7700       118.1974 389.7700       118.1974 108.4408 20.79762 108.4408 20.79762 -0.000000      0.000000 
1 1 1 -7  0  43 o 184.4204 12.06805 1023.162       129.2257 1023.162       129.2257 1023.162       129.2257 184.4204 12.06805 184.4204 12.06805 -0.000000      0.000000 
1 1 1 -7  0  44 f 315.4747 10.02478 2957.359       185.0524 2957.359       185.0524 2957.359       185.0524 315.4747 10.02478 315.4747 10.02478 0.000000       0.000000 
1 1 1 -7  0  45 o 45.17984 27.01686 77.53288       127.1688 77.53288       127.1688 77.53288       127.1688 45.17984 27.01686 45.17984 27.01686 -0.000000      0.000000 
1 1 1 -7  0  46 o 40.62168 27.51476 -58.51429      194.5927 -58.51429      194.5927 -58.51429      194.5927 40.62168 27.51476 40.62168 27.51476 -0.000000      0.000000 
1 1 1 -7  0  47 o 95.96920 27.44617 350.1530       133.8710 350.1530       133.8710 350.1530       133.8710 95.96920 27.44617 95.96920 27.44617 -0.000000      0.000000 
1 1 1 -7  0  48 o 78.08311 32.01410 277.9178       144.6328 277.9178       144.6328 277.9178       144.6328 78.08311 32.01410 78.08311 32.01410 -0.000000      0.000000 
1 1 1 -7  0  49 o 217.4014 14.43065 1451.737       182.1042 1451.737       182.1042 1451.737       182.1042 217.4014 14.43065 217.4014 14.43065 0.000000       0.000000 
1 1 1 -7  0  50 o 106.0819 27.49644 423.0286       147.8196 423.0286       147.8196 423.0286       147.8196 106.0819 27.49644 106.0819 27.49644 -0.000000      0.000000 
1 1 1 -7  0  51 o 39.34391 26.34467 -18.55832      168.9659 -18.55832      168.9659 -18.55832      168.9659 39.34391 26.34467 39.34391 26.34467 -0.000000      0.000000 
1 1 1 -7  1  1  o 796.3669 18.76330 18685.72       876.3406 19384.47       1274.518 18059.14       1206.910 808.6638 26.91118 780.6584 26.39905 28.00531       37.69777 
1 1 1 -7  1  2  o 723.9907 17.26289 15433.57       732.9882 15634.28       1048.224 15241.52       1025.359 726.7397 24.62932 717.6058 24.39897 9.133911       34.66861 
1 1 1 -7  1  3  f 546.2683 11.17568 8766.115       358.0390 9037.292       447.1624 8281.700       597.6505 554.3992 13.75283 529.6854 19.27095 24.71381       23.67509 
1 1 1 -7  1  4  f 465.7963 8.590622 6369.376       234.6773 6274.914       328.4873 6467.849       335.3880 461.9148 12.13619 468.9595 12.20481 -7.044678      17.21176 
1 1 1 -7  1  5  o 725.2884 12.18927 15463.08       518.4883 15342.24       728.7541 15586.95       737.8366 721.5784 17.22055 727.2944 17.29814 -5.716064      24.40846 
1 1 1 -7  1  6  o 50.79443 14.21799 78.04353       44.01965 64.09672       61.35878 92.83424       63.18786 49.43591 17.23574 56.22935 17.39398 -6.793438      24.48717 
1 1 1 -7  1  7  o 198.7111 6.194341 1159.922       72.10030 1072.285       100.0206 1254.721       104.0279 190.8582 8.960708 206.5177 8.607860 -15.65952      12.42536 
1 1 1 -7  1  8  o 310.8517 6.694145 2836.319       122.0390 2885.821       174.1962 2788.603       171.0260 313.2536 9.492780 307.9281 9.481564 5.325500       13.41689 
1 1 1 -7  1  9  o 820.0279 13.57933 19801.90       653.0666 19444.01       910.3000 20181.47       937.4495 810.9035 19.14101 826.0626 19.35015 -15.15912      27.21776 
1 1 1 -7  1  10 o 163.5299 6.118560 785.9173       58.57743 800.9977       83.47605 771.2872       82.22021 164.9126 8.661292 161.8138 8.695823 3.098785       12.27336 
1 1 1 -7  1  11 o 183.7120 5.869364 991.3531       63.15700 921.9470       88.69244 1062.751       89.95592 176.9811 8.570421 190.0809 8.087874 -13.09984      11.78413 
1 1 1 -7  1  12 o 858.2050 14.14135 21667.75       711.7583 21568.14       1003.073 21768.76       1010.121 854.8423 20.00764 858.7955 20.05548 -3.953186      28.32893 
1 1 1 -7  1  13 o 561.8996 13.83668 9282.164       455.9750 9282.164       455.9750 0.000000       0.000000 561.8996 13.83668 ?        ?        0.000000       13.83668 
1 1 1 -7  1  14 o 316.9831 6.682379 2947.894       124.2275 2983.063       176.5305 2913.391       174.8500 318.6479 9.456681 314.9002 9.478441 3.747772       13.38916 
1 1 1 -7  1  15 o 496.9586 12.62013 7258.414       367.5216 7617.047       537.3916 6943.281       503.7463 508.5049 18.04822 485.5056 17.72133 22.99930       25.29395 
1 1 1 -7  1  16 o 279.5265 8.996311 2295.425       147.2896 2387.236       210.4632 2207.297       206.2001 284.8196 12.63099 273.8336 12.87566 10.98605       18.03675 
1 1 1 -7  1  17 o 312.6723 7.947581 2870.521       145.6206 3062.811       184.5547 2553.325       237.0339 322.8793 9.757375 294.4764 13.76298 28.40289       16.87086 
1 1 1 -7  1  18 o 683.1484 11.59876 13705.10       464.7050 13687.15       656.9081 13723.08       657.4764 682.2036 16.41875 683.0992 16.41141 -0.8955688     23.21443 
1 1 1 -7  1  19 o 408.7208 8.084308 4902.297       193.7850 5007.115       277.6046 4802.675       270.6350 412.7513 11.47915 404.2348 11.42709 8.516479       16.19720 
1 1 1 -7  1  20 o 463.8660 8.728693 6315.644       237.4610 6244.326       333.8511 6388.670       337.8253 460.8550 12.36319 466.1544 12.36789 -5.299438      17.48752 
1 1 1 -7  1  21 o 279.5081 7.047663 2293.927       115.4366 2286.622       164.5036 2301.015       162.0286 278.8714 10.07477 279.7623 9.890899 -0.8909302     14.11846 
1 1 1 -7  1  22 o 556.0609 9.809656 9080.627       319.9092 9162.604       455.5120 9000.839       449.3900 558.1425 13.91568 553.0274 13.86656 5.115051       19.64504 
1 1 1 -7  1  23 o 530.5638 8.579072 8265.839       266.9491 8419.491       601.7974 8228.199       297.8572 533.6678 19.25934 529.2640 9.595891 4.403870       21.51752 
1 1 1 -7  1  24 o 256.1329 6.168972 1925.346       92.66779 2189.435       224.9170 1871.350       101.7009 272.2981 14.13240 252.3973 6.876925 19.90074       15.71677 
1 1 1 -7  1  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  1  26 o 261.4175 9.732404 2012.360       148.9520 1952.757       209.3534 2073.464       211.9709 256.9432 13.94515 264.8274 13.69432 -7.884216      19.54486 
1 1 1 -7  1  27 o 365.8909 7.709238 3933.828       165.4297 4231.164       250.0069 3702.240       220.6412 378.8611 11.26430 354.4734 10.62535 24.38776       15.48491 
1 1 1 -7  1  28 o 178.1013 7.548048 933.8823       78.66225 900.3311       106.4015 974.3235       116.8170 174.5440 10.44197 181.5214 11.02505 -6.977356      15.18507 
1 1 1 -7  1  29 o 444.4581 8.646635 5811.556       225.3868 5679.184       308.5970 5962.895       329.9651 438.5461 12.00978 449.2352 12.53627 -10.68915      17.36067 
1 1 1 -7  1  30 o 223.4806 5.870255 1467.980       76.87252 1473.199       105.2237 1462.005       112.5768 223.6492 8.035297 222.7212 8.634956 0.9279785      11.79527 
1 1 1 -7  1  31 o 256.4795 6.009152 1932.539       90.38915 1938.805       127.6926 1926.246       127.9669 256.5190 8.499550 255.6792 8.545993 0.8397827      12.05306 
1 1 1 -7  1  32 o 112.2759 9.627282 374.1089       62.78157 436.0805       91.07888 318.0061       86.65900 120.7292 13.07163 102.5328 14.84244 18.19650       19.77790 
1 1 1 -7  1  33 o 281.8103 6.516616 2333.868       107.7034 2204.736       148.1402 2478.658       156.8653 273.4484 9.250662 289.9586 9.236228 -16.51022      13.07221 
1 1 1 -7  1  34 o 183.6392 8.224629 994.3432       88.35455 934.4050       125.9204 1052.473       124.0060 177.4177 12.17558 188.4990 11.26860 -11.08133      16.58994 
1 1 1 -7  1  35 o 270.0307 6.579654 2143.383       104.1997 2179.033       148.6905 2108.980       146.0660 271.7749 9.342638 267.3677 9.329439 4.407166       13.20316 
1 1 1 -7  1  36 o 221.6810 8.294930 1449.307       107.6528 1362.625       176.5010 1500.656       135.8467 213.7647 14.15843 225.2330 10.31146 -11.46837      17.51534 
1 1 1 -7  1  37 o 299.8414 6.823481 2645.353       119.9908 2417.488       164.1979 2906.494       175.7787 285.9550 9.805336 313.6351 9.567514 -27.68011      13.69971 
1 1 1 -7  1  38 o 241.0121 7.264175 1712.232       102.5604 1735.055       138.4734 1684.499       152.6445 242.1073 9.772406 238.2624 10.95313 3.844849       14.67893 
1 1 1 -7  1  39 f 136.6331 10.84273 556.5706       86.17303 514.1519       122.5367 598.0743       121.2083 129.8882 16.45462 140.6739 14.91873 -10.78572      22.21087 
1 1 1 -7  1  40 o 218.3324 8.256759 1409.691       105.5346 1367.561       143.3198 1459.592       155.9795 214.2095 11.44980 221.1225 12.07355 -6.912979      16.63937 
1 1 1 -7  1  41 o 29.04624 14.20631 -149.2662      80.59372 -158.6487      114.0199 -139.8979      113.9336 37.13724 17.85879 38.24565 18.24616 -1.108414      25.53153 
1 1 1 -7  1  42 o 100.2890 14.84342 310.8665       84.67188 275.7614       118.5895 347.3728       120.9331 91.80050 22.25949 103.9320 20.56857 -12.13152      30.30760 
1 1 1 -7  1  43 o 101.4957 14.40884 319.0315       83.36092 330.9647       116.1718 306.3651       119.6871 100.9792 20.32070 96.48682 21.68084 4.492432       29.71514 
1 1 1 -7  1  44 o 110.6595 13.04403 376.2038       83.03006 549.7130       120.3973 218.8445       114.6573 132.7701 15.76970 80.76075 23.06442 52.00935       27.94013 
1 1 1 -7  1  45 f 62.08612 22.10382 116.5886       101.3077 155.7152       191.6869 101.4240       119.3359 74.31194 29.49500 61.51614 23.59634 12.79580       37.77224 
1 1 1 -7  1  46 o 149.4710 11.39596 680.8915       99.14528 650.6011       140.5833 710.8646       139.8448 142.7903 17.12893 149.9741 16.15382 -7.183823      23.54456 
1 1 1 -7  1  47 o 156.2909 12.62154 752.9022       114.7069 819.3448       140.9098 622.3793       197.4974 161.4647 15.05382 131.7970 26.47095 29.66771       30.45207 
1 1 1 -7  1  48 o 53.77362 21.61165 66.81240       104.2160 -70.60251      155.2793 179.4447       140.5816 49.06717 22.73053 72.15218 25.99672 -23.08502      34.53268 
1 1 1 -7  1  49 f 47.14758 20.64788 6.738825       108.9024 185.0080       154.4381 -169.5728      153.5878 72.67529 27.07212 42.85935 20.64018 29.81593       34.04286 
1 1 1 -7  1  50 o 137.0656 14.64745 598.3997       115.9216 726.2168       175.4323 499.3387       154.4422 145.2609 21.21863 118.5325 23.04680 26.72838       31.32707 
1 1 1 -7  1  51 o 111.4799 20.20593 427.4254       127.2438 530.2825       184.6517 334.4159       175.5900 117.5362 27.30961 90.90629 29.11635 26.62990       39.91963 
1 1 1 -7  2  1  o 800.0095 13.33072 18814.21       625.4595 19063.14       892.0477 18573.49       877.2057 804.2784 18.91173 793.8969 18.84026 10.38153       26.69473 
1 1 1 -7  2  2  o 615.3965 15.05253 11141.09       543.2689 11141.09       543.2689 0.000000       0.000000 615.3965 15.05253 ?        ?        0.000000       15.05253 
1 1 1 -7  2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  2  4  o 419.7769 8.019463 5172.427       197.4305 5221.862       280.3597 5123.794       278.0721 421.4135 11.35410 417.4332 11.36906 3.980255       16.06770 
1 1 1 -7  2  5  o 507.6188 9.102891 7566.664       270.9989 7539.915       382.5833 7593.599       383.9208 506.2011 12.89752 508.0013 12.89667 -1.800140      18.23925 
1 1 1 -7  2  6  o 404.2597 7.777038 4797.705       184.3848 4826.448       262.8380 4769.853       258.7296 405.0831 11.07391 402.7113 10.96494 2.371796       15.58401 
1 1 1 -7  2  7  o 662.5754 11.25405 12907.84       437.3151 13096.50       625.5950 12727.55       611.5579 666.4898 16.00476 657.0641 15.87009 9.425659       22.53912 
1 1 1 -7  2  8  o 166.6007 6.257603 815.7627       61.03272 776.1321       84.65562 858.6569       88.07234 162.3004 8.928160 170.7445 8.825079 -8.444077      12.55365 
1 1 1 -7  2  9  o 802.2486 13.32234 18948.88       626.8160 19264.31       898.0275 18649.20       875.3121 807.2374 18.96871 794.3055 18.78992 12.93188       26.69968 
1 1 1 -7  2  10 o 498.0007 8.900831 7284.923       259.9627 7261.353       367.1200 7308.628       368.1678 496.6072 12.61526 498.2231 12.61016 -1.615875      17.83707 
1 1 1 -7  2  11 o 390.7998 7.508961 4483.264       172.1015 4471.179       243.5203 4495.323       243.2565 389.9164 10.65911 390.9727 10.61866 -1.056396      15.04568 
1 1 1 -7  2  12 f 1089.102 17.69413 34954.19       1130.181 35723.24       1626.527 34236.27       1571.527 1098.220 25.25350 1075.261 24.92055 22.95898       35.47919 
1 1 1 -7  2  13 o 228.8636 6.056678 1537.746       81.22314 1496.620       114.5464 1579.337       115.1901 225.6387 8.672146 231.8108 8.487204 -6.172134      12.13420 
1 1 1 -7  2  14 o 327.4952 6.806237 3146.684       130.7262 3298.219       190.0010 3010.467       180.1422 335.0610 9.679142 320.1032 9.606531 14.95773       13.63713 
1 1 1 -7  2  15 o 762.4680 17.98618 17103.10       804.2869 18281.60       1195.966 16130.04       1086.731 786.4993 25.96365 738.9057 25.11390 47.59357       36.12228 
1 1 1 -7  2  16 o 589.2619 11.78986 10196.17       407.4436 10828.13       520.6613 9197.761       654.4359 607.0228 14.62513 558.5901 20.00900 48.43268       24.78416 
1 1 1 -7  2  17 o 496.8150 8.965526 7243.857       261.2287 7492.541       377.8369 7016.131       361.5663 504.8952 12.77031 488.5819 12.62887 16.31326       17.96021 
1 1 1 -7  2  18 o 457.9861 8.563573 6155.618       230.0159 6035.173       322.1140 6280.936       328.5651 453.1400 12.13159 462.2809 12.12943 -9.140869      17.15513 
1 1 1 -7  2  19 o 56.72000 17.73841 93.70980       65.51824 33.52850       95.74916 146.6991       89.84590 51.24417 20.67291 69.98892 20.54626 -18.74475      29.14650 
1 1 1 -7  2  20 o 258.7427 7.232576 1965.986       109.6441 1929.117       155.6274 2002.322       154.4992 256.1064 10.38285 260.9476 10.11453 -4.841248      14.49507 
1 1 1 -7  2  21 o 772.2434 14.91969 17541.21       675.7167 17184.64       1153.954 17727.27       833.5757 761.5926 25.87297 775.7254 18.32257 -14.13281      31.70374 
1 1 1 -7  2  22 o 494.1562 8.079136 7167.978       234.1422 7091.997       521.7418 7187.139       262.0074 490.1736 18.18060 494.7528 9.029732 -4.579132      20.29952 
1 1 1 -7  2  23 o 143.8796 7.430046 609.2859       62.48381 733.6802       150.2186 583.2609       68.70987 156.9143 16.57353 140.6933 8.364888 16.22098       18.56484 
1 1 1 -7  2  24 o 359.2331 6.732630 3787.948       141.8442 4039.670       334.6500 3732.820       156.6079 369.8768 15.46115 356.5676 7.488955 13.30927       17.17940 
1 1 1 -7  2  25 o 420.8303 9.440182 5205.026       232.9903 0.000000       0.000000 5205.026       232.9903 ?        ?        420.8303 9.440182 0.000000       9.440182 
1 1 1 -7  2  26 o 385.0626 7.989237 4356.275       180.4210 4355.068       251.3852 4357.557       259.0974 384.4994 11.15972 384.5550 11.50118 -0.5560303E-01 16.02549 
1 1 1 -7  2  27 o 406.9933 6.518736 4864.514       155.5970 4807.816       217.3885 4924.073       222.8064 404.3217 9.167669 409.1654 9.284919 -4.843719      13.04821 
1 1 1 -7  2  28 o 458.9755 7.083107 6189.489       190.6618 6022.071       259.8371 6384.781       280.6357 452.3198 9.795012 465.6543 10.27611 -13.33450      14.19650 
1 1 1 -7  2  29 o 294.9378 5.902177 2554.725       102.0923 2594.254       142.0209 2512.455       146.8615 296.8929 8.164215 292.1148 8.581730 4.778076       11.84485 
1 1 1 -7  2  30 o 208.3052 5.961895 1275.623       72.75922 1254.573       98.21241 1301.230       108.3231 206.3523 8.131254 210.0748 8.811752 -3.722443      11.99017 
1 1 1 -7  2  31 o 194.9373 6.367595 1117.821       72.70056 1093.191       99.12513 1146.492       106.9482 192.4992 8.803502 197.0812 9.278952 -4.581970      12.79064 
1 1 1 -7  2  32 o 82.02290 12.83648 203.6098       59.72590 157.4747       82.09830 255.4771       87.04931 71.38879 19.19551 91.27542 16.88321 -19.88663      25.56385 
1 1 1 -7  2  33 o 191.0210 7.483621 1074.691       83.67626 1088.500       116.4548 1059.953       120.3117 191.8607 10.38828 189.2428 10.88615 2.617859       15.04741 
1 1 1 -7  2  34 o 329.4078 6.748588 3189.476       130.3759 3197.459       185.8972 3181.748       182.8981 329.2757 9.636743 328.4906 9.503699 0.7851257      13.53466 
1 1 1 -7  2  35 o 153.9107 8.989214 700.1454       80.78793 677.6727       113.3316 723.3628       115.1939 150.7708 12.94200 155.8488 12.71340 -5.077972      18.14183 
1 1 1 -7  2  36 o 468.1045 7.580130 6448.953       208.0990 6489.817       296.2743 6409.162       292.3576 468.7149 10.77791 465.8173 10.70159 2.897614       15.18840 
1 1 1 -7  2  37 o 338.6201 6.852387 3374.033       136.0834 3245.588       182.6715 3534.208       203.9906 331.4756 9.406065 345.7292 10.07133 -14.25354      13.78063 
1 1 1 -7  2  38 o 135.9886 12.43365 553.5762       98.06744 609.3972       119.5389 438.6775       171.5014 142.2246 14.53542 117.1149 25.67835 25.10969       29.50688 
1 1 1 -7  2  39 o 147.6438 10.37132 648.5038       89.23357 653.9419       123.9651 642.6561       128.5504 147.2612 14.54326 145.7709 15.26267 1.490265       21.08212 
1 1 1 -7  2  40 o 193.8417 9.312847 1114.308       105.5621 1135.872       147.4388 1091.627       151.2071 194.6946 12.98667 190.6470 13.61316 4.047592       18.81413 
1 1 1 -7  2  41 o 64.96406 20.45542 130.0497       86.97900 162.8592       123.9465 98.21649       122.0883 73.08263 24.52301 63.20202 23.95728 9.880604       34.28308 
1 1 1 -7  2  42 o 118.7413 12.49583 427.8882       85.71686 498.6471       121.8000 358.4569       120.6520 126.6656 16.81067 105.7457 20.19074 20.91982       26.27289 
1 1 1 -7  2  43 o 206.1813 8.265025 1264.271       99.73855 1303.729       142.5849 1226.465       139.5667 207.9142 11.74106 201.5851 11.85756 6.329163       16.68694 
1 1 1 -7  2  44 o 95.87883 15.44325 288.8371       83.88924 380.3306       124.0920 211.8315       113.8440 107.9752 20.34212 79.51128 23.06803 28.46389       30.75607 
1 1 1 -7  2  45 o 221.1104 8.321891 1458.662       107.7224 1482.129       156.8623 1437.718       148.1921 220.7550 12.16295 217.7367 11.64733 3.018311       16.84036 
1 1 1 -7  2  46 o 78.36909 20.41971 206.8773       94.78168 199.6852       131.7159 214.6008       136.4950 76.17503 25.27380 78.50103 25.71386 -2.326004      36.05507 
1 1 1 -7  2  47 o 158.5358 11.13598 766.4138       102.8810 631.8315       142.6409 912.3364       148.5290 139.7903 17.80198 170.4579 15.01060 -30.66763      23.28580 
1 1 1 -7  2  48 o 166.6436 13.99843 869.2363       135.5468 885.2317       168.1050 839.5102       229.1666 165.2238 17.61989 152.1713 26.64894 13.05244       31.94724 
1 1 1 -7  2  49 o 159.7609 12.50255 791.8445       116.2115 842.4834       163.2410 739.8085       165.4776 160.6500 17.61448 148.8931 19.41199 11.75699       26.21250 
1 1 1 -7  2  50 o 74.23649 24.66656 200.9311       125.4513 117.8020       178.6787 281.7492       176.1776 65.96886 27.59014 84.27725 29.21606 -18.30839      40.18449 
1 1 1 -7  2  51 o 49.96979 22.11802 7.757771       128.0945 -17.42351      186.7245 30.14285       176.0522 55.88686 25.53477 58.00735 25.78879 -2.120495      36.29169 
1 1 1 -7  3  1  o 722.8891 17.20929 15390.49       729.6004 14348.98       976.5620 16706.27       1097.640 696.1857 23.95364 750.9589 24.95727 -54.77319      34.59252 
1 1 1 -7  3  2  o 424.9790 11.51021 5310.494       286.6165 5310.494       286.6165 0.000000       0.000000 424.9790 11.51021 ?        ?        0.000000       11.51021 
1 1 1 -7  3  3  o 717.8058 12.08902 15143.45       508.9189 15025.32       715.3370 15264.53       724.1848 714.1909 17.07835 719.8390 17.15392 -5.648071      24.20593 
1 1 1 -7  3  4  o 179.6821 8.056828 949.6560       84.68634 1080.704       100.1894 621.7422       158.4844 191.6399 8.938890 143.9155 19.26018 47.72440       21.23343 
1 1 1 -7  3  5  o 471.2200 8.640204 6520.031       238.7802 6480.497       335.9231 6560.406       339.4772 469.3180 12.21494 472.1976 12.26886 -2.879608      17.31271 
1 1 1 -7  3  6  o 495.4171 8.934260 7208.681       259.5853 7195.200       366.4107 7222.266       367.8114 494.3978 12.64730 495.3237 12.67192 -0.9259033     17.90340 
1 1 1 -7  3  7  o 110.3003 7.498395 358.8358       48.21762 349.8141       67.87173 368.0287       68.51281 108.5525 10.80432 111.3925 10.61555 -2.840004      15.14672 
1 1 1 -7  3  8  o 67.49828 10.39300 137.0323       39.82370 88.29527       54.27261 193.8829       58.61632 54.28974 15.97729 80.16161 12.90624 -25.87188      20.53886 
1 1 1 -7  3  9  o 96.88862 7.897163 277.4805       44.48510 277.2535       61.10419 277.7364       64.88914 96.48723 10.99409 96.47286 11.70812 0.1436615E-01  16.06083 
1 1 1 -7  3  10 o 664.9156 11.27917 12998.70       439.8393 12839.79       616.7855 13163.14       627.4039 659.9728 15.93520 668.2149 16.00960 -8.242126      22.58845 
1 1 1 -7  3  11 o 372.4266 7.293781 4071.193       159.3103 4074.287       226.6148 4068.170       224.0055 372.2390 10.39061 371.9702 10.27819 0.2688293      14.61526 
1 1 1 -7  3  12 o 880.9514 14.48679 22829.36       748.4706 22748.54       1055.814 22911.01       1061.201 878.0051 20.50406 881.1262 20.53568 -3.121155      29.01949 
1 1 1 -7  3  13 o 211.4468 8.886889 1314.661       109.9593 1428.437       168.1590 1229.671       145.3373 220.0882 13.08694 204.2281 12.18966 15.86012       17.88452 
1 1 1 -7  3  14 o 548.7499 9.607861 8838.926       309.2087 8604.606       429.3851 9091.324       445.6421 541.1642 13.52905 556.2485 13.66051 -15.08423      19.22615 
1 1 1 -7  3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3  16 o 105.4188 8.470048 328.2126       51.92622 388.9618       75.20467 272.8638       71.78422 114.5392 11.34428 95.48570 13.16886 19.05350       17.38136 
1 1 1 -7  3  17 o 723.9051 12.17465 15390.52       516.8786 15234.27       725.6575 15551.44       736.4146 719.6700 17.19284 727.1131 17.26911 -7.443054      24.36834 
1 1 1 -7  3  18 o 249.5778 6.969294 1828.951       101.9107 1878.991       146.4134 1781.923       141.9378 252.8061 9.894234 246.1823 9.850736 6.623856       13.96184 
1 1 1 -7  3  19 o 121.3297 10.48137 435.4384       73.85166 384.6271       106.0738 483.2390       102.8833 113.1783 16.46295 127.4661 13.99233 -14.28787      21.60588 
1 1 1 -7  3  20 o 788.4565 12.02137 18263.09       555.8818 17464.63       1178.742 18491.45       630.3812 767.9509 26.21028 793.1733 13.55141 -25.22241      29.50626 
1 1 1 -7  3  21 o 1028.097 15.26688 31095.82       920.5239 30909.54       2013.689 31145.03       1034.996 1018.062 33.77297 1028.471 17.15917 -10.40875      37.88206 
1 1 1 -7  3  22 o 622.2749 9.782163 11372.52       356.9996 11060.50       771.6359 11457.50       402.6889 611.4903 21.55022 624.4684 10.99534 -12.97809      24.19317 
1 1 1 -7  3  23 o 421.2272 7.263299 5208.255       179.4324 5154.608       404.0966 5221.430       200.2571 417.8512 16.52228 421.7080 8.097027 -3.856781      18.39966 
1 1 1 -7  3  24 o 169.0538 10.33556 843.1638       101.9832 690.3112       154.5033 961.1796       135.7599 151.9005 17.67277 180.2535 12.92799 -28.35298      21.89657 
1 1 1 -7  3  25 o 181.6779 9.357659 972.6523       99.36975 978.5991       159.7590 968.8998       126.9059 181.5190 15.14484 181.0379 12.02067 0.4811401      19.33553 
1 1 1 -7  3  26 o 252.6128 6.951005 1875.425       102.8822 1850.359       203.9352 1883.982       119.1566 250.0722 13.96059 253.0941 8.037788 -3.021927      16.10913 
1 1 1 -7  3  27 o 414.5658 6.671254 5047.686       162.2002 5150.200       231.0660 4948.099       227.7417 418.4275 9.415975 410.1284 9.468303 8.299164       13.35325 
1 1 1 -7  3  28 o 265.4421 7.267621 2072.024       113.0326 1970.313       149.7030 2206.901       172.3918 258.5237 9.891947 273.4958 10.76875 -14.97211      14.62247 
1 1 1 -7  3  29 o 339.0043 7.482243 3378.391       148.7605 3573.936       306.1127 3317.932       170.2108 347.0454 15.07585 335.7066 8.652448 11.33884       17.38235 
1 1 1 -7  3  30 f 181.7246 6.364841 971.4841       67.72995 899.0803       90.88197 1061.932       101.5772 174.5386 8.907883 189.6932 9.157537 -15.15466      12.77540 
1 1 1 -7  3  31 o 164.2585 7.003705 794.6050       67.31446 851.6666       96.07365 739.5796       94.34396 169.7402 9.691201 158.0617 10.23239 11.67856       14.09330 
1 1 1 -7  3  32 o 143.5566 8.198649 608.3708       68.73952 659.9789       95.23067 552.2317       99.32315 149.1653 10.96232 136.1093 12.58510 13.05603       16.69004 
1 1 1 -7  3  33 o 21.58614 10.89649 -215.6373      65.46786 -201.4082      92.69789 -229.7977      92.47360 29.83648 14.71948 28.46568 14.15760 1.370806       20.42305 
1 1 1 -7  3  34 o 158.9105 8.899940 745.8727       82.61359 682.3194       113.9575 816.2720       119.9383 151.3359 12.96435 165.7191 12.43116 -14.38324      17.96129 
1 1 1 -7  3  35 o 121.1856 10.52232 436.5563       74.04424 570.5020       104.2985 300.4528       105.1353 138.2232 13.01943 98.66831 18.85574 39.55492       22.91385 
1 1 1 -7  3  36 o 348.3066 6.872366 3568.264       140.3843 3558.852       195.4599 3578.292       201.7566 347.2168 9.607803 348.0952 9.892817 -0.8784180     13.79049 
1 1 1 -7  3  37 o 219.0939 8.548237 1417.404       109.6284 1329.640       171.5065 1478.037       142.5535 210.9741 13.93931 223.2561 10.92053 -12.28201      17.70769 
1 1 1 -7  3  38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3  39 o 89.18550 16.64195 246.2782       83.84515 207.3413       114.7283 290.9131       122.8364 81.01716 23.04996 95.66354 22.30655 -14.64638      32.07620 
1 1 1 -7  3  40 o 135.4194 12.19187 550.3942       95.79256 575.9526       139.3557 527.4996       131.8943 136.8491 17.78350 130.9338 17.62314 5.915298       25.03653 
1 1 1 -7  3  41 o 80.60331 18.29689 205.9961       84.50777 176.7034       120.6953 234.1676       118.3629 75.11392 24.14776 85.01384 23.12957 -9.899918      33.43787 
1 1 1 -7  3  42 o 113.7953 15.38605 400.2862       100.0555 521.3953       177.2177 343.6172       121.2248 125.5460 24.94805 103.2065 20.74805 22.33953       32.44822 
1 1 1 -7  3  43 o 79.97047 18.10481 205.9899       82.92994 347.3219       119.4842 74.62363       115.1947 103.4068 20.42688 58.06651 22.92237 45.34029       30.70330 
1 1 1 -7  3  44 f 135.7121 10.93955 556.8193       86.33281 609.7844       126.3939 510.4964       118.2033 139.9367 15.66958 127.6825 16.14548 12.25427       22.49916 
1 1 1 -7  3  45 o 108.7116 14.65423 369.4112       91.05342 285.1068       130.2532 449.9796       127.3344 90.94386 24.05480 117.8284 19.07838 -26.88456      30.70209 
1 1 1 -7  3  46 o 195.5544 8.955747 1147.334       102.4390 1155.539       139.1786 1137.636       151.3236 194.3456 12.27357 191.9813 13.52652 2.364288       18.26492 
1 1 1 -7  3  47 o 56.24648 21.30823 88.01864       96.54781 35.14661       132.2492 148.3546       141.2758 54.43469 23.29189 68.57500 25.82074 -14.14032      34.77388 
1 1 1 -7  3  48 o 145.6594 13.33518 661.4629       112.6543 845.2575       164.0742 497.5388       154.9513 161.3945 17.61997 119.5143 22.94069 41.88024       28.92644 
1 1 1 -7  3  49 o 167.0518 12.12680 862.7714       117.9997 932.6321       163.0183 785.8817       171.0228 170.0529 16.55496 153.4515 19.43897 16.60141       25.53312 
1 1 1 -7  3  50 o 66.57428 24.09387 151.8704       120.9205 155.1938       175.5550 148.8703       166.7960 69.40515 27.99492 68.28423 27.37626 1.120926       39.15578 
1 1 1 -7  3  51 o 51.10484 22.52656 14.74223       131.5552 -89.42200      184.3951 122.7249       187.7444 51.27409 24.08533 66.64371 28.10177 -15.36963      37.01098 
1 1 1 -7  4  1  o 892.7255 20.86428 23532.05       1092.375 21803.37       1450.833 25794.82       1659.889 856.1218 28.93717 930.5679 30.45551 -74.44604      42.01069 
1 1 1 -7  4  2  o 821.3887 27.45605 20048.46       1320.768 20048.46       1320.768 0.000000       0.000000 821.3887 27.45605 ?        ?        0.000000       27.45605 
1 1 1 -7  4  3  o 235.3870 10.50842 1631.008       144.7019 1732.671       208.0676 1535.781       201.3753 242.1934 14.71793 227.9119 15.15171 14.28149       21.12325 
1 1 1 -7  4  4  o 621.3077 10.69333 11342.98       389.6460 11037.52       540.5128 11673.47       562.2128 612.2676 15.05269 629.6298 15.22527 -17.36224      21.41010 
1 1 1 -7  4  5  o 469.8312 8.615230 6482.415       237.3883 6264.063       327.8486 6723.066       344.1821 461.3633 12.12709 477.9565 12.28881 -16.59320      17.26502 
1 1 1 -7  4  6  o 238.0984 6.359579 1665.009       88.72506 1696.742       124.8865 1632.670       126.0743 240.1805 8.881283 235.5740 9.142692 4.606476       12.74621 
1 1 1 -7  4  7  o 307.6410 6.749526 2778.117       121.7777 2877.917       175.4701 2685.383       169.1435 312.8115 9.575947 302.1585 9.556889 10.65298       13.52896 
1 1 1 -7  4  8  o 107.7488 7.451982 342.4968       46.80055 323.2668       65.45944 362.6049       66.93724 104.2964 10.86059 110.5748 10.44574 -6.278404      15.06871 
1 1 1 -7  4  9  o 329.9583 6.887935 3195.875       133.2903 3251.164       191.2597 3143.664       185.8583 332.4781 9.819421 326.9419 9.703799 5.536285       13.80524 
1 1 1 -7  4  10 o 199.6890 6.093080 1171.248       71.27433 1155.011       101.9086 1186.796       99.72128 198.1198 8.792562 200.8563 8.484597 -2.736450      12.21874 
1 1 1 -7  4  11 o 649.5486 11.05533 12397.56       421.1472 12462.35       598.4789 12334.01       592.7466 650.5676 15.68577 647.2211 15.61586 3.346497       22.13365 
1 1 1 -7  4  12 o 515.0432 9.177665 7787.903       277.2212 7950.430       399.1852 7636.498       385.2841 519.9078 13.10219 509.5567 12.90291 10.35110       18.38892 
1 1 1 -7  4  13 o 1062.319 24.52019 33327.84       1527.669 33327.84       1527.669 0.000000       0.000000 1062.319 24.52019 ?        ?        0.000000       24.52019 
1 1 1 -7  4  14 o 524.2540 10.72646 8069.122       329.7986 8193.448       408.8465 7837.523       558.0154 528.1141 13.20025 515.7391 18.47856 12.37500       22.70911 
1 1 1 -7  4  15 o 775.6877 14.92423 17683.01       678.9367 17474.47       824.4828 18122.31       1196.659 770.6793 18.24137 783.0591 26.09350 -12.37976      31.83737 
1 1 1 -7  4  16 o 441.6897 11.79998 5732.878       305.3935 5742.404       437.6137 5723.834       426.3883 441.5646 16.92979 440.8947 16.51918 0.6698303      23.65378 
1 1 1 -7  4  17 o 930.6819 15.28134 25461.91       834.0909 25107.53       1167.579 25831.25       1191.964 923.0588 21.56783 936.2379 21.70834 -13.17908      30.60103 
1 1 1 -7  4  18 o 551.2992 9.804917 8921.949       317.0165 9157.362       457.3538 8704.242       439.8182 558.0426 13.98546 544.0731 13.79482 13.96954       19.64408 
1 1 1 -7  4  19 o 431.8318 7.651072 5472.083       193.7704 5524.120       445.1035 5459.915       215.2365 432.8834 17.56883 431.3158 8.508835 1.567627       19.52086 
1 1 1 -7  4  20 o 825.2386 12.57022 20011.06       608.3773 18922.44       1273.407 20333.03       692.5239 799.0164 27.21418 831.6160 14.19912 -32.59961      30.69571 
1 1 1 -7  4  21 o 360.7820 6.921402 3819.505       146.4500 3674.097       320.0088 3858.027       164.7105 353.0280 15.49392 362.5654 7.746123 -9.537445      17.32236 
1 1 1 -7  4  22 o 217.5257 6.490834 1389.739       82.71333 1467.516       195.6580 1372.815       91.27000 222.7825 15.06354 216.1554 7.209738 6.627060       16.70002 
1 1 1 -7  4  23 o 162.5377 7.262095 777.0392       69.05077 940.8539       163.1051 741.2682       76.21787 177.9980 15.78794 158.6754 8.218245 19.32263       17.79884 
1 1 1 -7  4  24 o 420.6837 7.374576 5196.047       181.9463 4908.328       392.9164 5274.583       205.2820 407.5327 16.47339 423.7838 8.259542 -16.25104      18.42804 
1 1 1 -7  4  25 o 154.7878 10.48602 707.8500       94.62952 568.0995       148.1613 804.1357       122.9814 137.2814 18.90364 164.7423 12.82978 -27.46086      22.84624 
1 1 1 -7  4  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  4  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  4  28 o 235.4386 5.722788 1627.613       79.01978 1561.757       106.7031 1707.592       117.5901 230.3528 7.910027 240.8319 8.337998 -10.47905      11.49307 
1 1 1 -7  4  29 o 54.14366 17.09182 85.95560       60.68969 34.49124       73.99670 191.7182       106.0779 46.20914 18.33048 78.85597 22.07074 -32.64684      28.69013 
1 1 1 -7  4  30 o 267.6688 5.825357 2104.461       91.44728 1952.726       120.7004 2308.924       140.1116 257.5253 8.001393 279.9731 8.543104 -22.44778      11.70500 
1 1 1 -7  4  31 o 46.75648 16.33821 57.93929       55.15242 65.39954       76.82093 50.00391       79.22943 52.13789 19.15261 49.87904 19.20238 2.258846       27.12110 
1 1 1 -7  4  32 o 79.40868 14.02222 192.1579       62.91627 125.6761       85.81693 269.4211       92.51411 64.96407 20.29881 93.67035 17.48338 -28.70628      26.79011 
1 1 1 -7  4  33 o 253.2285 6.605459 1885.844       98.01558 1841.291       135.4949 1934.751       141.9610 249.8663 9.262260 256.1052 9.467788 -6.238861      13.24494 
1 1 1 -7  4  34 o 32.87658 15.29725 -64.30429      71.52071 -119.1750      102.7615 -12.75426      99.60354 37.31999 17.66679 45.93564 19.93713 -8.615646      26.63840 
1 1 1 -7  4  35 o 109.2465 11.99707 357.0146       75.60258 352.4477       104.7848 361.9732       109.1875 107.4437 17.20969 108.7962 17.72173 -1.352493      24.70290 
1 1 1 -7  4  36 o 304.5297 6.745197 2727.497       120.4689 2753.728       168.2014 2699.870       172.6221 305.4237 9.401423 302.3439 9.747932 3.079803       13.54286 
1 1 1 -7  4  37 o 94.37312 17.51790 275.2234       93.38865 315.1607       109.6772 169.9186       178.0947 100.6999 19.27286 79.84685 29.18930 20.85309       34.97797 
1 1 1 -7  4  38 o 194.7702 9.502254 1123.447       108.2149 1149.853       130.1839 1064.406       194.6645 196.6463 11.33615 187.2180 17.94875 9.428284       21.22890 
1 1 1 -7  4  39 o 166.8786 11.27082 829.8085       109.6608 988.1776       205.0455 766.3647       129.7805 179.3824 19.82052 159.6452 14.00293 19.73717       24.26799 
1 1 1 -7  4  40 o 166.8577 14.63730 841.1674       141.7885 811.0807       188.0442 880.8130       215.8595 161.6825 20.27576 167.5455 22.53904 -5.863052      30.31691 
1 1 1 -7  4  41 f 53.82614 21.28380 56.42501       99.46472 -45.03370      199.6290 89.92982       114.7183 60.94106 27.25257 60.96862 23.19666 -0.2756500E-01 35.78810 
1 1 1 -7  4  42 o 70.03040 19.32426 157.5064       81.95295 207.2961       117.5655 110.4431       114.3013 79.55576 23.54224 63.41383 23.35074 16.14192       33.15862 
1 1 1 -7  4  43 o 147.4357 10.28583 653.1155       88.38126 587.6035       126.5230 715.5458       123.5113 137.4875 15.98912 152.8687 13.92930 -15.38116      21.20560 
1 1 1 -7  4  44 o 126.4446 11.73162 486.1054       86.00579 485.7763       119.3948 486.4604       123.9968 124.1529 16.83054 123.8737 17.55949 0.2792206      24.32289 
1 1 1 -7  4  45 o 151.7232 10.40152 695.3593       91.99500 669.7136       126.0788 724.5599       134.5335 146.6935 14.85957 152.3977 15.25719 -5.704254      21.29762 
1 1 1 -7  4  46 o 46.06134 19.39400 23.59144       89.20828 -26.92636      117.7472 91.65891       136.6779 46.32976 20.80783 61.55453 24.74592 -15.22477      32.33150 
1 1 1 -7  4  47 o 218.2226 8.729944 1429.258       111.5024 1466.885       154.4568 1388.309       161.1314 218.8055 12.08336 212.1230 13.01481 6.682571       17.75930 
1 1 1 -7  4  48 o 131.6726 13.98294 544.6844       106.3312 417.4738       147.1310 683.7677       153.8438 108.5353 23.77369 144.1908 18.62727 -35.65554      30.20205 
1 1 1 -7  4  49 o 44.02768 19.78299 -20.40214      106.5700 -67.70409      153.4730 23.64352       148.0962 48.61476 22.54762 54.74051 24.02276 -6.125744      32.94675 
1 1 1 -7  4  50 o 65.88770 24.43414 146.3189       125.5417 -52.19741      187.8493 306.5491       168.7656 54.04806 25.02506 87.87830 28.57989 -33.83024      37.98767 
1 1 1 -7  4  51 o 82.78233 25.33934 259.1653       134.5315 203.4199       185.0817 321.6121       195.8907 74.36496 29.14644 87.75737 30.78219 -13.39241      42.39173 
1 1 1 -7  5  1  o 792.5254 26.63081 18669.54       1236.035 0.000000       0.000000 18669.54       1236.035 ?        ?        792.5254 26.63081 0.000000       26.63081 
1 1 1 -7  5  2  o 561.0041 11.38881 9250.621       374.7097 9729.611       663.6769 9026.486       453.9917 573.6644 19.75590 553.6611 13.99270 20.00336       24.20932 
1 1 1 -7  5  3  o 535.4435 18.94420 8474.525       593.9579 0.000000       0.000000 8474.525       593.9579 ?        ?        535.4435 18.94420 0.000000       18.94420 
1 1 1 -7  5  4  o 98.92461 8.408484 289.4415       48.32162 352.5471       63.86709 204.9529       73.89959 109.0713 10.09892 82.00862 15.93932 27.06272       18.86929 
1 1 1 -7  5  5  o 524.5105 9.340663 8082.353       287.3310 8080.590       406.8076 8084.106       405.8887 523.7942 13.25339 523.9139 13.22037 -0.1196899     18.71979 
1 1 1 -7  5  6  o 168.3566 6.516477 833.1793       64.22037 868.3860       90.30331 797.1531       91.34834 171.6975 8.999286 164.4388 9.512696 7.258698       13.09498 
1 1 1 -7  5  7  f 236.5890 6.436468 1644.151       89.22550 1682.829       127.0369 1606.496       125.3479 239.1609 9.073556 233.6579 9.164929 5.503067       12.89672 
1 1 1 -7  5  8  o 187.4069 6.339436 1031.985       69.57626 1054.900       99.35120 1009.930       97.46722 189.2882 8.975068 185.1983 9.000643 4.089920       12.71076 
1 1 1 -7  5  9  o 225.9154 6.358231 1499.051       84.15897 1500.847       121.5350 1497.396       116.6526 225.8514 9.194686 225.6207 8.832932 0.2307434      12.75002 
1 1 1 -7  5  10 f 433.5371 8.123350 5518.195       206.5437 5534.795       294.3193 5502.088       289.9241 433.7656 11.57982 432.4975 11.44015 1.268066       16.27788 
1 1 1 -7  5  11 o 214.7169 6.173858 1353.834       77.66443 1437.241       113.4365 1280.240       106.5545 221.0846 8.766078 208.6428 8.727260 12.44188       12.36969 
1 1 1 -7  5  12 f 583.4984 10.15294 9997.154       347.4416 9507.979       473.1639 10569.53       511.8232 568.6843 14.18697 599.5500 14.55607 -30.86566      20.32608 
1 1 1 -7  5  13 o 672.6456 11.42865 13286.88       450.8496 13681.38       651.4485 12924.23       624.5943 682.0493 16.28598 662.9340 16.06487 19.11530       22.87604 
1 1 1 -7  5  14 o 322.4169 7.930017 3050.231       149.9486 3047.641       185.0043 3055.191       256.0078 322.0770 9.805679 322.1965 13.57865 -0.1195068     16.74906 
1 1 1 -7  5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  5  16 f 821.7195 15.77068 19850.40       760.0193 18878.21       894.1010 22382.43       1442.922 800.8812 19.03566 869.6559 28.32859 -68.77472      34.13012 
1 1 1 -7  5  17 o 329.7348 6.676161 3189.758       129.1047 3118.887       297.2915 3206.230       143.3250 325.3312 15.62709 330.5672 7.392846 -5.235992      17.28757 
1 1 1 -7  5  18 o 701.6633 10.98995 14456.79       452.2463 13444.94       937.0237 14764.07       516.3701 674.5699 23.72190 708.9470 12.41929 -34.37708      26.77625 
1 1 1 -7  5  19 o 620.8936 9.973116 11318.31       363.1604 10888.64       773.8039 11439.69       411.2667 607.2280 21.76364 624.1119 11.23597 -16.88385      24.49292 
1 1 1 -7  5  20 f 367.1551 7.087937 3955.584       152.6230 3800.882       346.2794 3992.882       170.0290 358.9994 16.49088 368.8537 7.859923 -9.854279      18.26822 
1 1 1 -7  5  21 o 649.3414 10.07837 12382.86       383.8080 11715.82       821.8494 12568.92       434.0470 629.3806 22.30053 654.0732 11.31514 -24.69263      25.00692 
1 1 1 -7  5  22 f 738.4956 11.32445 16028.31       490.4734 15705.56       1061.221 16115.98       553.0905 727.4978 24.90949 740.2930 12.73920 -12.79517      27.97802 
1 1 1 -7  5  23 o 207.9642 9.767162 1273.486       118.7934 1280.410       183.2197 1268.464       156.0343 207.9329 15.12792 207.2340 12.90234 0.6989594      19.88276 
1 1 1 -7  5  24 o 360.6791 6.765526 3818.858       143.1110 3460.778       306.8909 3918.365       161.7781 342.2502 15.32827 365.2993 7.551276 -23.04910      17.08736 
1 1 1 -7  5  25 o 594.5466 9.415638 10391.11       328.3116 10253.30       716.8601 10427.69       369.3211 587.4243 20.84110 595.4005 10.57656 -7.976196      23.37124 
1 1 1 -7  5  26 o 504.1122 10.64442 7479.438       314.7021 0.000000       0.000000 7479.438       314.7021 ?        ?        504.1122 10.64442 0.000000       10.64442 
1 1 1 -7  5  27 o 421.2219 7.481157 5213.670       184.8121 5592.853       428.1782 5126.855       204.8793 434.1260 16.84937 417.5919 8.365567 16.53409       18.81181 
1 1 1 -7  5  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  5  29 o 297.5081 5.886152 2599.642       102.7025 2527.918       139.3608 2684.898       151.9395 293.0529 8.116385 301.9539 8.588571 -8.901001      11.81691 
1 1 1 -7  5  30 o 67.66396 13.77673 140.3457       52.81038 128.4294       71.06641 155.0411       78.91971 64.71671 18.04727 70.83690 18.71826 -6.120186      26.00148 
1 1 1 -7  5  31 o 380.9549 6.517244 4264.995       145.6089 4139.755       198.1035 4412.162       214.7462 374.9466 9.008909 387.0031 9.461510 -12.05658      13.06448 
1 1 1 -7  5  32 o 64.26931 15.86137 127.5025       59.41605 142.1861       77.99471 107.1975       91.71730 67.99589 18.88599 61.99163 21.09428 6.004253       28.31341 
1 1 1 -7  5  33 o 258.1211 6.634505 1959.421       100.3512 1888.703       134.2143 2049.078       151.1213 253.0985 9.056474 263.5193 9.795332 -10.42075      13.34047 
1 1 1 -7  5  34 f 425.2598 7.210070 5317.760       179.8226 5396.306       255.2231 5240.333       253.4018 427.8048 10.17241 421.5593 10.24945 6.245453       14.44054 
1 1 1 -7  5  35 o 163.8319 8.440407 792.4632       80.82502 817.0543       113.4214 767.0916       115.2072 165.8433 11.73712 160.5580 12.32914 5.285217       17.02256 
1 1 1 -7  5  36 o 208.8531 8.389814 1287.125       102.5555 1194.085       118.7010 1561.054       203.6759 200.8628 10.10887 228.4703 15.28854 -27.60754      18.32836 
1 1 1 -7  5  37 o 369.2887 7.006199 4014.130       151.7396 3856.951       208.4666 4191.245       221.2917 361.1917 9.850402 376.4737 10.03153 -15.28204      14.05923 
1 1 1 -7  5  38 o 91.57199 15.61806 257.5476       80.87006 267.9952       117.1322 248.0313       111.7898 91.96696 22.01054 88.51811 21.70333 3.448853       30.91114 
1 1 1 -7  5  39 o 115.7592 13.50594 404.7861       89.97112 355.1387       128.3697 452.7211       126.1365 106.0839 21.37257 121.1254 18.32880 -15.04147      28.15549 
1 1 1 -7  5  40 o 234.6496 8.183908 1628.441       112.4516 1658.727       165.3148 1602.358       153.4126 235.6804 11.99967 231.8633 11.31598 3.817123       16.49374 
1 1 1 -7  5  41 o 54.22144 19.91325 75.98782       83.03591 135.0284       122.1482 25.26247       113.2204 68.40518 24.27955 52.27202 21.91889 16.13316       32.70985 
1 1 1 -7  5  42 o 108.1178 13.66549 358.4797       84.71861 374.0787       125.4303 345.3936       114.8836 107.7078 20.60714 103.8317 19.58385 3.876038       28.42853 
1 1 1 -7  5  43 o 97.23402 15.29490 295.6478       84.34264 234.3284       117.9995 359.6996       120.6000 83.71124 23.22194 105.2438 20.27424 -21.53254      30.82699 
1 1 1 -7  5  44 o 172.7298 9.281735 893.3329       93.68044 916.6107       127.4725 865.9970       138.1375 173.4770 12.61543 167.7838 14.17055 5.693176       18.97245 
1 1 1 -7  5  45 o 76.40311 19.42996 193.4811       87.24834 206.8205       120.4930 178.7782       126.5018 77.82380 24.01005 73.27900 24.77515 4.544800       34.50059 
1 1 1 -7  5  46 o 148.9454 10.91546 674.4888       94.68768 446.5168       125.9072 971.2766       143.6591 116.7898 19.03725 176.9808 13.95345 -60.19092      23.60329 
1 1 1 -7  5  47 o 193.8841 9.672506 1135.028       109.6372 1121.202       152.8698 1149.672       157.3272 189.8869 13.82165 192.1032 14.06169 -2.216309      19.71723 
1 1 1 -7  5  48 o 93.48450 19.24171 294.1070       101.9769 465.2641       145.9636 130.9033       142.5319 115.8872 22.28544 65.72218 25.63037 50.16505       33.96405 
1 1 1 -7  5  49 o 174.8798 11.88167 943.6826       121.1381 807.3250       172.5536 1076.195       170.1030 155.5675 19.32833 183.2243 15.98994 -27.65680      25.08511 
1 1 1 -7  5  50 o 78.47076 23.87135 225.8801       119.6382 339.7913       180.5035 136.6295       159.7746 91.49793 29.54126 66.43340 26.73847 25.06454       39.84510 
1 1 1 -7  5  51 o 67.74042 24.73925 160.8261       127.8845 292.2678       182.5126 34.05066       179.2437 84.68063 29.71176 58.53880 26.02348 26.14184       39.49697 
1 1 1 -7  6  1  o 994.4196 33.10171 29676.68       1927.813 0.000000       0.000000 29676.68       1927.813 ?        ?        994.4196 33.10171 0.000000       33.10171 
1 1 1 -7  6  2  o 327.3937 15.52900 3165.953       297.3204 0.000000       0.000000 3165.953       297.3204 ?        ?        327.3937 15.52900 0.000000       15.52900 
1 1 1 -7  6  3  o 314.0398 13.23811 2907.804       243.2685 0.000000       0.000000 2907.804       243.2685 ?        ?        314.0398 13.23811 0.000000       13.23811 
1 1 1 -7  6  4  o 125.2941 7.325171 462.4496       53.59208 531.1353       74.00526 386.7114       77.71181 134.1210 9.469259 114.0636 11.78645 20.05744       15.11911 
1 1 1 -7  6  5  o 473.1763 8.694364 6576.627       241.2744 6641.807       343.2273 6512.955       339.2349 474.9499 12.33250 470.3207 12.30918 4.629120       17.42431 
1 1 1 -7  6  6  o 203.0063 6.484431 1210.870       77.10359 1163.283       108.1770 1260.009       109.9259 198.7612 9.305945 206.8965 9.081459 -8.135315      13.00283 
1 1 1 -7  6  7  o 180.0570 6.477572 952.8062       68.29118 922.4448       96.50555 983.2592       96.65125 176.9464 9.332506 182.7266 9.047069 -5.780136      12.99789 
1 1 1 -7  6  8  o 342.7171 7.161703 3447.932       143.9470 3565.430       207.6815 3339.295       199.6967 348.1691 10.18179 336.9439 10.11708 11.22516       14.35354 
1 1 1 -7  6  9  o 180.9722 6.405853 962.3287       67.88187 1011.617       98.38651 917.5496       93.77813 185.3712 9.077481 176.5199 9.089129 8.851364       12.84574 
1 1 1 -7  6  10 o 601.3614 10.39299 10623.14       366.5446 10807.22       525.8754 10449.19       511.1815 606.0050 14.79640 595.9064 14.62671 10.09863       20.80563 
1 1 1 -7  6  11 o 668.6213 11.35409 13132.63       445.2287 13014.92       626.4869 13252.76       632.8582 665.0276 16.06282 671.0742 16.07998 -6.046509      22.72839 
1 1 1 -7  6  12 o 516.2418 9.234872 7822.835       279.5983 7575.960       387.4280 8091.161       403.9102 507.6121 13.02469 524.5870 13.13889 -16.97498      18.50062 
1 1 1 -7  6  13 o 1221.083 19.74912 43902.39       1414.306 43716.31       1991.711 44091.66       2008.658 1216.012 27.92787 1221.179 28.04633 -5.166992      39.57982 
1 1 1 -7  6  14 o 692.8011 11.70085 14093.85       475.4189 14245.38       679.0336 13948.16       665.8478 696.0313 16.63458 688.7490 16.48403 7.282288       23.41864 
1 1 1 -7  6  15 o 615.9326 10.61664 11137.23       383.5049 10947.15       536.9819 11335.11       547.8984 610.3109 15.00231 621.0273 15.04315 -10.71643      21.24537 
1 1 1 -7  6  16 o 489.3243 8.078669 7026.018       231.8393 6849.531       513.1740 7071.277       259.8712 482.1354 18.18126 490.8564 9.027203 -8.720947      20.29898 
1 1 1 -7  6  17 o 701.6001 10.99492 14453.55       452.4101 13471.90       938.2900 14750.90       516.4023 675.3152 23.72768 708.6503 12.42526 -33.33502      26.78414 
1 1 1 -7  6  18 o 643.8531 10.18282 12170.74       384.5081 11833.64       835.3286 12261.37       433.1219 632.9971 22.53713 646.1448 11.42957 -13.14771      25.26969 
1 1 1 -7  6  19 o 285.0380 6.892662 2383.886       115.2233 2181.085       272.5816 2428.007       127.1409 271.6836 17.19557 287.5479 7.545709 -15.86426      18.77832 
1 1 1 -7  6  20 o 341.0680 6.774716 3413.313       135.5135 3470.402       317.1783 3400.566       149.8819 343.0683 15.80669 340.4060 7.507607 2.662262       17.49902 
1 1 1 -7  6  21 o 291.9427 6.472392 2500.917       110.8187 2504.425       264.3017 2500.168       122.0667 291.2870 15.52746 291.8786 7.130903 -0.5916138     17.08659 
1 1 1 -7  6  22 o 237.3065 6.451971 1653.834       89.71176 1529.666       216.9434 1679.447       98.53105 227.2545 16.38739 239.1048 7.034070 -11.85025      17.83325 
1 1 1 -7  6  23 o 504.8693 8.351864 7485.566       247.2936 7275.956       537.4954 7541.850       278.5231 495.9726 18.51097 506.6661 9.373221 -10.69348      20.74882 
1 1 1 -7  6  24 o 273.2140 6.247746 2191.018       100.1099 2117.222       230.6201 2208.152       111.1258 267.5835 14.75269 274.1635 6.916746 -6.579926      16.29365 
1 1 1 -7  6  25 f 391.0354 6.989058 4490.219       160.2822 4765.806       373.9098 4428.179       177.4086 401.3616 15.91632 388.2579 7.791191 13.10367       17.72094 
1 1 1 -7  6  26 f 160.1650 8.044168 755.7640       75.31937 665.6973       156.9934 782.6931       85.84392 148.7366 18.38878 162.9046 9.020375 -14.16800      20.48206 
1 1 1 -7  6  27 o 274.8856 8.291066 2223.577       133.5107 0.000000       0.000000 2223.577       133.5107 ?        ?        274.8856 8.291066 0.000000       8.291066 
1 1 1 -7  6  28 o 117.5848 11.81047 411.8576       80.34411 0.000000       0.000000 411.8576       80.34411 ?        ?        117.5848 11.81047 0.000000       11.81047 
1 1 1 -7  6  29 o 276.3336 5.767717 2242.707       93.47342 2143.962       123.3822 2375.727       143.2043 269.8936 7.803070 284.0072 8.607513 -14.11368      11.61797 
1 1 1 -7  6  30 f 249.8978 5.874790 1834.422       86.10043 1791.428       117.2084 1884.816       126.8966 246.6260 8.114489 252.9169 8.567400 -6.290878      11.80022 
1 1 1 -7  6  31 o 53.01080 15.99261 84.18275       53.85320 77.66013       69.62720 93.89468       84.96118 53.37367 18.37316 58.68710 20.29164 -5.313435      27.37378 
1 1 1 -7  6  32 o 199.2120 6.828490 1167.877       79.66145 1145.731       109.6577 1192.625       115.9195 196.9805 9.520359 200.9294 9.867169 -3.948975      13.71125 
1 1 1 -7  6  33 o 151.6988 9.055528 680.0249       80.19834 741.7360       113.3465 618.1588       113.4888 157.9604 12.33284 143.8876 13.61043 14.07281       18.36689 
1 1 1 -7  6  34 o 124.4264 10.72806 460.1365       77.52222 466.0766       106.3535 453.4027       113.2359 124.4807 14.86118 122.4734 16.15877 2.007370       21.95360 
1 1 1 -7  6  35 o 205.9661 7.514162 1249.869       90.61462 1252.343       123.9685 1247.030       132.7818 205.7443 10.30667 205.1664 11.07631 0.5778351      15.12984 
1 1 1 -7  6  36 o 366.2851 6.944866 3947.211       149.1879 3853.266       206.2194 4050.368       216.0940 361.1963 9.743895 370.2662 9.960308 -9.069916      13.93382 
1 1 1 -7  6  37 o 310.3807 6.899023 2835.491       125.5836 2806.362       175.2207 2866.261       180.0831 308.0715 9.710153 311.3006 9.876256 -3.229095      13.85018 
1 1 1 -7  6  38 o 284.5344 9.308962 2394.317       155.1320 2390.532       207.8667 2399.076       233.0697 283.3360 12.54036 283.2856 14.07254 0.5038452E-01  18.84932 
1 1 1 -7  6  39 o 116.1541 13.43822 407.5702       89.85675 510.4275       134.5713 324.8121       120.7091 128.6999 18.34778 101.4134 20.98749 27.28654       27.87680 
1 1 1 -7  6  40 o 98.04293 16.03547 296.8922       89.01929 387.5270       133.7799 224.8721       119.2532 110.4820 21.41995 83.69307 23.39279 26.78894       31.71809 
1 1 1 -7  6  41 o 128.2433 11.82180 495.6949       87.91367 747.7742       132.0656 295.1005       117.8095 156.7535 14.53094 95.53806 21.54176 61.21547       25.98453 
1 1 1 -7  6  42 o 156.7719 9.854326 735.4628       90.14529 736.5833       129.9535 734.4236       125.1515 155.1321 14.44970 155.1421 13.90205 -0.1005554E-01 20.05146 
1 1 1 -7  6  43 o 45.49721 18.90915 24.25374       83.16106 146.6182       119.2126 -91.73535      116.0655 68.82409 24.02251 41.43233 19.34764 27.39175       30.84497 
1 1 1 -7  6  44 o 120.4325 12.82540 444.8099       89.19490 307.3336       121.8549 603.4841       130.9129 95.79389 22.13441 138.6820 16.41355 -42.88815      27.55607 
1 1 1 -7  6  45 o 197.5034 8.922173 1168.586       103.0796 1017.559       143.0110 1331.889       148.7091 181.7907 13.51024 209.0016 12.18499 -27.21094      18.19342 
1 1 1 -7  6  46 o 45.13861 19.12160 19.29525       87.58559 28.35145       123.8978 10.24871       123.8317 52.69674 22.54627 50.85127 22.14853 1.845470       31.60525 
1 1 1 -7  6  47 o 75.42201 21.23824 195.5618       97.91334 174.1934       142.0792 214.8891       135.1232 71.82696 26.09954 77.69681 25.59141 -5.869850      36.55279 
1 1 1 -7  6  48 o 76.16511 22.44979 204.3004       107.0823 217.7448       150.8399 190.6410       152.0418 77.32118 27.01960 73.65942 26.96314 3.661758       38.17158 
1 1 1 -7  6  49 o 53.93100 22.03052 64.89935       110.3307 26.60150       162.2268 97.85837       150.4951 56.72106 25.00809 62.08879 25.58636 -5.367737      35.77802 
1 1 1 -7  6  50 o 65.14997 24.04599 142.9557       121.3286 158.0132       182.7665 131.0916       162.2321 69.86275 28.42373 65.95947 26.80027 3.903282       39.06614 
1 1 1 -7  6  51 o 66.08092 24.60680 149.8487       127.5688 90.75249       188.6882 199.6029       173.1330 63.76263 27.55793 73.51377 28.36357 -9.751141      39.54658 
1 1 1 -7  7  1  o 475.5844 17.24465 6684.368       480.1898 0.000000       0.000000 6684.368       480.1898 ?        ?        475.5844 17.24465 0.000000       17.24465 
1 1 1 -7  7  2  o 465.9941 11.92284 6391.879       325.5770 6018.375       440.7517 6840.449       483.0162 451.3407 16.67964 481.1189 17.14564 -29.77820      23.92035 
1 1 1 -7  7  3  o 234.8253 16.55823 1634.907       226.5770 0.000000       0.000000 1634.907       226.5770 ?        ?        234.8253 16.55823 0.000000       16.55823 
1 1 1 -7  7  4  o 276.0423 7.635378 2239.145       123.4922 2401.436       202.7337 2143.402       155.7148 285.4341 12.13842 269.8808 9.854558 15.55328       15.63501 
1 1 1 -7  7  5  o 509.1512 9.174381 7616.140       273.9517 7592.330       386.0788 7640.286       388.7880 507.7114 12.97671 509.3046 13.02691 -1.593231      18.38737 
1 1 1 -7  7  6  o 203.0564 6.552393 1211.473       77.92885 1212.428       110.6780 1210.534       109.7440 202.9311 9.324474 202.7784 9.252402 0.1526794      13.13593 
1 1 1 -7  7  7  o 279.7374 6.785257 2296.865       111.3185 2178.150       154.5986 2424.687       160.4190 272.1050 9.703186 287.1248 9.539770 -15.01978      13.60732 
1 1 1 -7  7  8  o 928.9241 15.25838 25415.12       831.2642 25393.96       1175.020 25436.32       1176.151 926.4880 21.62494 927.2593 21.62775 -0.7713623     30.58427 
1 1 1 -7  7  9  o 383.0751 7.608160 4307.293       170.9284 4269.256       240.6301 4346.034       242.8436 381.0448 10.77854 384.4583 10.78092 -3.413544      15.24484 
1 1 1 -7  7  10 o 161.2955 6.684501 764.6902       63.09568 783.3520       89.99634 746.6502       88.48441 163.0673 9.450884 159.1826 9.521602 3.884644       13.41567 
1 1 1 -7  7  11 f 1142.554 18.51646 38441.22       1240.753 38902.86       1772.362 37997.55       1737.535 1146.934 26.34895 1133.588 26.13532 13.34644       37.11229 
1 1 1 -7  7  12 o 583.3143 10.15623 9988.718       347.4445 10077.47       496.1574 9903.321       486.7005 585.5660 14.44751 580.4982 14.29587 5.067871       20.32492 
1 1 1 -7  7  13 o 827.1254 13.69152 20099.27       664.1615 20107.50       940.6864 20091.09       937.8524 826.5114 19.40643 826.1821 19.35567 0.3292236      27.40896 
1 1 1 -7  7  14 o 904.3944 13.45260 24027.81       713.5341 25374.44       1654.337 23720.04       790.8797 925.4753 30.52130 898.3868 15.01055 27.08850       34.01274 
1 1 1 -7  7  15 o 520.0506 10.84025 7940.200       330.6249 8754.563       624.0480 7622.410       389.8334 544.9878 19.55624 509.2331 13.06383 35.75473       23.51830 
1 1 1 -7  7  16 o 485.5355 9.235670 6919.224       262.9904 7466.351       552.2488 6758.753       299.0812 503.3092 18.74169 479.8014 10.62862 23.50778       21.54573 
1 1 1 -7  7  17 o 484.3296 8.311193 6883.977       236.0777 6840.314       533.9628 6894.586       263.1992 481.6413 18.94019 484.6573 9.259751 -3.016022      21.08254 
1 1 1 -7  7  18 o 506.9766 8.635447 7543.713       256.7575 6934.418       541.9268 7720.072       291.5579 484.8575 19.09528 512.8087 9.694356 -27.95117      21.41519 
1 1 1 -7  7  19 o 599.5294 9.612288 10552.72       337.9774 9394.929       693.7238 10913.07       387.0144 564.0204 21.00879 609.5810 10.82543 -45.56061      23.63385 
1 1 1 -7  7  20 o 128.0746 10.47356 484.9577       77.98328 297.6183       180.8083 527.7714       86.43613 99.28935 29.14669 133.5780 11.13459 -34.28862      31.20110 
1 1 1 -7  7  21 o 250.5740 6.414903 1843.625       94.19315 1977.307       240.3910 1819.377       102.3798 258.6463 15.92474 248.8866 7.020959 9.759674       17.40377 
1 1 1 -7  7  22 o 299.4963 10.19222 2638.628       178.7629 2678.012       272.1324 2608.734       237.0923 301.1114 15.46177 297.4218 13.62856 3.689667       20.61077 
1 1 1 -7  7  23 o 121.3355 9.769177 435.4236       68.93072 199.6427       160.6732 488.6081       76.30998 83.91994 27.91623 128.5311 10.20708 -44.61117      29.72373 
1 1 1 -7  7  24 o 428.4231 8.509341 5392.460       213.8058 5246.627       414.0499 5445.484       249.6677 421.1133 16.79870 430.3817 9.891405 -9.268402      19.49451 
1 1 1 -7  7  25 o 436.1097 8.268051 5588.752       211.4703 6186.775       462.2030 5430.424       237.8220 456.9375 17.27860 429.7529 9.435886 27.18457       19.68721 
1 1 1 -7  7  26 o 425.7953 7.501501 5326.972       187.3266 5326.253       417.0154 5327.153       209.6719 423.7638 16.81282 425.6960 8.398277 -1.932220      18.79367 
1 1 1 -7  7  27 o 281.1486 7.024756 2322.385       115.8291 0.000000       0.000000 2322.385       115.8291 ?        ?        281.1486 7.024756 0.000000       7.024756 
1 1 1 -7  7  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  7  29 o 150.6644 7.473898 669.0670       65.83405 958.3418       169.3202 617.5469       71.45651 178.9203 16.31542 144.6245 8.461564 34.29575       18.37909 
1 1 1 -7  7  30 o 523.8423 7.879583 8072.345       242.0774 7691.163       323.0793 8560.298       365.5371 510.6176 10.78854 538.4556 11.57527 -27.83798      15.82339 
1 1 1 -7  7  31 o 236.7320 6.114289 1647.641       84.81834 1530.771       111.8710 1805.655       130.0805 227.9110 8.383825 247.4689 8.977623 -19.55782      12.28358 
1 1 1 -7  7  32 o 319.6885 6.430639 3003.264       120.5679 2874.556       160.3304 3170.775       182.9094 312.3595 8.760722 327.9341 9.520478 -15.57465      12.93792 
1 1 1 -7  7  33 o 284.7338 6.658187 2382.828       111.1848 2298.523       151.1872 2482.126       164.0811 279.2045 9.245738 290.0818 9.658143 -10.87729      13.37024 
1 1 1 -7  7  34 o 247.4676 6.927684 1801.962       100.4452 1781.175       139.5311 1824.322       144.7126 245.6304 9.704965 248.5502 9.947639 -2.919815      13.89755 
1 1 1 -7  7  35 o 220.4208 9.156217 1434.549       118.1061 993.3862       223.2625 1605.977       139.1741 180.3139 21.53773 233.0519 10.20728 -52.73802      23.83406 
1 1 1 -7  7  36 o 166.1997 9.073899 817.1201       88.10977 771.4490       121.8857 867.1088       127.5170 160.7178 13.04319 170.4946 12.84736 -9.776749      18.30791 
1 1 1 -7  7  37 o 334.8092 10.11690 3317.064       198.4253 0.000000       0.000000 3317.064       198.4253 ?        ?        334.8092 10.11690 0.000000       10.11690 
1 1 1 -7  7  38 o 384.4876 8.034514 4359.578       181.1726 4218.812       222.8244 4634.158       311.2070 377.4897 10.07385 394.1765 13.48180 -16.68686      16.82977 
1 1 1 -7  7  39 o 216.6776 9.190344 1390.757       116.5223 1431.677       194.5230 1367.857       145.5187 217.9233 15.31764 214.2362 11.62534 3.687164       19.22963 
1 1 1 -7  7  40 o 54.44954 20.27808 72.99415       86.63908 17.04792       130.7636 116.7719       115.6720 54.89704 23.31433 65.31498 23.57504 -10.41794      33.15630 
1 1 1 -7  7  41 o 236.6020 7.869573 1658.318       109.0474 1819.361       156.9220 1507.922       151.6460 246.7196 10.87169 224.2856 11.56775 22.43405       15.87471 
1 1 1 -7  7  42 o 58.70599 20.46173 100.8882       86.47369 87.49277       125.6766 112.9319       119.1674 61.33469 24.02410 64.06965 23.79712 -2.734955      33.81509 
1 1 1 -7  7  43 o 149.0637 10.56019 669.2196       91.72202 686.2390       129.6808 652.1826       129.7483 148.9825 15.04796 144.9814 15.49964 4.001160       21.60277 
1 1 1 -7  7  44 o 71.44735 19.62917 167.8843       84.76863 225.1974       118.2706 107.3398       121.5589 81.47662 23.47451 62.73619 23.87610 18.74042       33.48314 
1 1 1 -7  7  45 o 55.72283 20.57035 87.71027       88.79649 14.66478       128.4229 154.6220       122.9127 52.27623 22.66403 69.15486 24.37298 -16.87863      33.28214 
1 1 1 -7  7  46 o 122.8504 13.32361 468.7079       94.45998 372.3755       134.3178 562.9710       132.8672 104.0752 22.65047 132.2026 17.57141 -28.12740      28.66702 
1 1 1 -7  7  47 o 55.62223 21.25718 85.24216       96.61137 27.48056       137.1958 142.0592       136.0694 54.15823 23.45282 67.08308 25.32261 -12.92485      34.51477 
1 1 1 -7  7  48 o 37.70059 17.86289 -97.61536      105.5041 25.28793       159.7273 -192.7399      140.5218 56.56451 24.88154 39.45595 19.17734 17.10856       31.41435 
1 1 1 -7  7  49 o 217.2916 9.928269 1434.637       126.1880 1507.896       182.9357 1368.139       174.2915 218.7085 14.34118 208.2766 14.35656 10.43185       20.29237 
1 1 1 -7  7  50 o 219.9924 10.83292 1484.006       139.3369 1358.037       206.8611 1588.625       188.5180 203.4476 17.50718 223.9077 14.43287 -20.46011      22.68940 
1 1 1 -7  7  51 o 68.17149 24.85456 165.0435       128.9996 149.8476       195.0865 176.8502       171.9601 69.10324 28.85982 70.80299 27.98883 -1.699753      40.20278 
1 1 1 -7  8  1  o 198.6293 10.74965 1163.301       124.7575 1163.301       124.7575 0.000000       0.000000 198.6293 10.74965 ?        ?        0.000000       10.74965 
1 1 1 -7  8  2  o 558.1650 13.71933 9174.300       449.1033 9390.894       644.6932 8970.101       625.9763 563.1688 19.54893 550.4263 19.42179 12.74249       27.55661 
1 1 1 -7  8  3  f 574.2787 14.07752 9713.442       474.1322 8880.463       626.5295 10829.80       725.3128 547.6541 19.53804 604.5668 20.48605 -56.91272      28.30925 
1 1 1 -7  8  4  o 468.5837 9.940836 6452.594       273.1873 6604.615       469.4821 6374.768       335.9135 472.7986 16.95885 465.3187 12.31995 7.479858       20.96148 
1 1 1 -7  8  5  o 604.6415 12.07929 10753.75       428.3413 10834.99       737.4362 10712.39       526.2119 604.7338 20.82371 602.9957 14.87976 1.738098       25.59364 
1 1 1 -7  8  6  o 382.7355 7.727060 4300.641       173.4457 4113.804       241.3024 4500.356       249.4805 373.9397 11.01497 391.1429 10.88612 -17.20316      15.48668 
1 1 1 -7  8  7  o 494.7505 9.026093 7188.614       261.9007 7345.655       375.3413 7039.604       365.6171 499.5813 12.82120 489.0652 12.75793 10.51608       18.08723 
1 1 1 -7  8  8  o 469.0394 8.674668 6459.072       238.6232 6484.846       338.8048 6433.703       336.1395 469.5230 12.31451 467.6724 12.26598 1.850586       17.38107 
1 1 1 -7  8  9  f 528.1243 9.444501 8189.261       292.5269 8013.528       408.8041 8373.665       418.7667 521.9252 13.36638 533.5283 13.39392 -11.60303      18.92240 
1 1 1 -7  8  10 o 615.8489 10.62191 11137.22       383.6429 11448.60       553.9684 10850.25       531.8154 623.9485 15.13860 607.4485 14.92798 16.50006       21.26080 
1 1 1 -7  8  11 o 537.1375 9.545435 8468.923       300.6988 8423.189       425.1225 8514.712       425.3823 535.2416 13.55387 538.1502 13.48863 -2.908630      19.12199 
1 1 1 -7  8  12 o 814.3389 13.79934 19483.84       659.0434 20074.42       1330.362 19291.77       758.6787 823.7490 27.57636 810.0484 15.96969 13.70056       31.86670 
1 1 1 -7  8  13 o 906.7864 13.53148 24155.68       719.6161 23676.79       1568.262 24283.40       809.9156 894.1078 29.94964 908.9656 15.19294 -14.85779      33.58283 
1 1 1 -7  8  14 o 665.8194 16.15054 13033.85       630.6580 12439.91       870.8478 13688.87       914.5247 649.2150 22.90785 681.0598 22.92869 -31.84479      32.41133 
1 1 1 -7  8  15 o 625.1077 9.909830 11470.34       363.3052 11428.15       807.1771 11481.06       406.8452 622.2932 22.15219 625.3184 11.09373 -3.025208      24.77479 
1 1 1 -7  8  16 o 392.6752 7.439005 4524.300       171.3164 4246.068       398.1406 4587.520       189.7842 379.4354 17.94238 395.3839 8.184470 -15.94855      19.72092 
1 1 1 -7  8  17 o 638.5228 10.17298 11970.01       380.9562 11241.73       815.4420 12173.34       430.8662 616.9370 22.57536 643.8233 11.41104 -26.88629      25.29543 
1 1 1 -7  8  18 o 456.8840 8.107705 6126.175       217.2473 6036.233       501.8070 6146.921       241.0037 452.2968 18.95950 457.6144 8.979940 -5.317566      20.97861 
1 1 1 -7  8  19 o 356.7355 7.199050 3734.385       150.6163 3384.155       336.3909 3822.202       168.4439 338.6298 16.99255 360.8773 7.958758 -22.24747      18.76402 
1 1 1 -7  8  20 o 398.5096 7.286793 4660.676       170.3043 4243.958       376.5337 4767.849       190.9523 379.2252 16.97298 403.0281 8.078655 -23.80295      18.79752 
1 1 1 -7  8  21 o 126.1160 9.030620 469.4619       66.35206 420.8743       182.0949 476.9008       71.25055 116.7502 27.11495 127.0598 9.633358 -10.30962      28.77537 
1 1 1 -7  8  22 o 72.99035 13.34087 161.6759       55.00464 478.6482       165.4989 122.3150       58.31991 125.0898 23.41966 63.19183 15.78395 61.89794       28.24205 
1 1 1 -7  8  23 o 163.8878 7.102231 790.0346       68.10199 812.7001       178.8845 786.1927       73.64790 164.7361 18.85470 163.4437 7.704879 1.292343       20.36823 
1 1 1 -7  8  24 o 102.0929 10.67205 309.9178       62.95621 213.2072       140.4444 334.2379       70.42861 84.39333 25.90107 105.9504 11.51956 -21.55711      28.34723 
1 1 1 -7  8  25 o 375.5261 6.973449 4141.708       153.5813 3696.323       334.2746 4260.881       172.9119 353.1930 16.18065 380.8214 7.741999 -27.62839      17.93745 
1 1 1 -7  8  26 o 568.7957 10.52169 9525.603       350.9882 8530.976       625.7318 9982.214       423.9668 535.1171 19.97339 581.8050 12.42521 -46.68793      23.52280 
1 1 1 -7  8  27 o 297.2126 6.467916 2594.752       112.7411 2561.830       264.6043 2602.055       124.6187 293.7599 15.41260 297.5750 7.140625 -3.815063      16.98637 
1 1 1 -7  8  28 o 39.87070 16.76474 6.517346       66.51734 0.000000       0.000000 6.517346       66.51734 ?        ?        39.87070 16.76474 0.000000       16.76474 
1 1 1 -7  8  29 o 218.6090 6.628166 1405.695       84.88091 1379.882       207.5049 1410.882       93.01918 214.8600 16.59584 218.9460 7.254123 -4.086075      18.11199 
1 1 1 -7  8  30 o 233.9879 6.574363 1610.322       90.12949 1500.048       217.8645 1633.091       98.99820 223.9757 16.70609 235.5705 7.174015 -11.59485      18.18130 
1 1 1 -7  8  31 f 81.55267 12.73223 201.2348       58.90764 213.1165       79.38662 186.6765       87.87448 83.19605 16.84864 77.54307 19.37845 5.652985       25.67880 
1 1 1 -7  8  32 o 290.0772 6.501959 2472.781       110.6136 2401.921       152.4104 2551.645       160.7880 285.4502 9.115720 294.1848 9.331093 -8.734619      13.04475 
1 1 1 -7  8  33 o 229.5247 7.167454 1550.484       96.36343 1572.927       129.1524 1522.300       144.7313 230.8553 9.559887 226.8810 10.90908 3.974304       14.50516 
1 1 1 -7  8  34 o 359.2749 6.831229 3795.109       143.9382 3725.424       196.4944 3875.804       211.4458 355.4116 9.435227 362.4013 9.957965 -6.989777      13.71804 
1 1 1 -7  8  35 f 80.17732 16.33480 198.3981       74.19893 160.7912       105.2451 235.5623       104.6239 72.78026 22.43695 86.75345 20.82744 -13.97319      30.61371 
1 1 1 -7  8  36 o 291.3046 7.143661 2497.763       122.0446 2496.415       174.1891 2499.063       171.0481 290.4743 10.24101 290.6765 10.04873 -0.2022705     14.34766 
1 1 1 -7  8  37 o 176.4312 8.718755 920.6992       89.93590 763.1420       123.8459 1096.494       130.8173 159.6219 13.35156 191.9545 11.67549 -32.33264      17.73644 
1 1 1 -7  8  38 o 137.1331 10.80397 560.5693       86.18997 611.1312       119.6747 506.0804       124.2352 142.3191 14.54218 128.7284 16.86073 13.59073       22.26565 
1 1 1 -7  8  39 o 198.8065 8.750634 1170.380       101.7784 1346.772       144.1203 994.8856       143.7531 212.5276 11.60676 181.9940 13.56578 30.53358       17.85349 
1 1 1 -7  8  40 o 274.5879 7.743318 2229.105       124.5733 2362.945       182.9347 2113.374       170.1102 281.5202 11.10167 266.2889 10.91562 15.23129       15.56913 
1 1 1 -7  8  41 o 124.6682 12.47993 470.9337       90.02152 408.1503       127.8848 532.6002       126.7422 113.1655 20.00011 130.9987 16.88957 -17.83319      26.17751 
1 1 1 -7  8  42 o 98.56071 15.77006 304.0538       88.08471 400.3463       125.2981 209.9657       123.8556 111.5570 19.88033 79.62908 24.30137 31.92794       31.39720 
1 1 1 -7  8  43 o 70.01376 19.82036 159.9847       85.04370 198.4894       123.3033 125.0489       117.4500 77.21445 24.36068 65.21291 23.72486 12.00153       34.00458 
1 1 1 -7  8  44 o 199.1298 8.731146 1185.095       101.7188 1007.867       137.0056 1402.778       151.8394 181.5475 12.95269 214.8591 12.09869 -33.31157      17.72429 
1 1 1 -7  8  45 o 42.06387 18.50110 -8.355711      88.29097 39.21323       129.1319 -50.11521      120.9900 54.81230 23.21871 45.07074 20.57824 9.741558       31.02535 
1 1 1 -7  8  46 o 47.57410 20.05145 27.10706       95.51488 -7.086549      136.1337 60.26060       134.0473 51.16776 22.71675 57.41306 23.94596 -6.245300      33.00696 
1 1 1 -7  8  47 o 185.9552 10.35020 1050.346       112.4321 946.0890       155.1976 1165.494       163.1029 172.8187 15.47607 192.7466 14.53573 -19.92789      21.23196 
1 1 1 -7  8  48 o 171.2242 11.57561 901.7108       115.5578 1047.481       174.9469 788.8853       153.9130 180.1798 16.74751 155.9048 17.11416 24.27492       23.94522 
1 1 1 -7  8  49 o 50.31491 21.53903 31.74048       113.1883 4.559642       169.6440 53.54917       151.9574 55.73628 25.00873 57.65990 24.82410 -1.923622      35.23738 
1 1 1 -7  8  50 o 49.55426 21.55949 21.04115       117.0565 47.50660       180.9910 2.010706       153.4765 59.87787 26.40676 53.12414 23.81579 6.753735       35.55994 
1 1 1 -7  9  1  o 620.7380 21.36505 11420.74       776.6312 0.000000       0.000000 11420.74       776.6312 ?        ?        620.7380 21.36505 0.000000       21.36505 
1 1 1 -7  9  2  o 372.3087 14.47120 4088.482       315.3773 0.000000       0.000000 4088.482       315.3773 ?        ?        372.3087 14.47120 0.000000       14.47120 
1 1 1 -7  9  3  o 613.4420 14.83281 11084.14       533.6390 11254.55       762.1689 10920.26       747.4066 616.3845 21.11498 607.1779 21.02064 9.206543       29.79446 
1 1 1 -7  9  4  o 612.1553 12.25597 11020.88       440.0072 11768.89       787.5616 10681.44       530.5300 630.3687 21.33367 602.2123 15.02138 28.15637       26.09152 
1 1 1 -7  9  5  o 385.6432 8.771999 4367.302       198.3969 4352.658       329.8133 4375.605       248.3560 384.2274 14.66314 385.6971 10.99059 -1.469727      18.32487 
1 1 1 -7  9  6  o 331.8386 8.197172 3232.742       159.5296 3294.662       262.4134 3196.441       200.9218 334.4155 13.40696 329.6919 10.40429 4.723572       16.97044 
1 1 1 -7  9  7  o 293.2359 6.967809 2523.361       119.8296 2461.972       167.0331 2588.459       172.0054 289.3718 9.856673 296.7173 9.898219 -7.345459      13.96885 
1 1 1 -7  9  8  f 447.1211 8.419150 5868.045       220.7720 5944.068       315.6468 5795.237       308.9000 449.6255 11.98084 443.9673 11.87426 5.658173       16.86827 
1 1 1 -7  9  9  o 392.4077 7.845238 4518.787       180.5486 4583.279       258.4228 4457.287       252.3540 394.8885 11.16972 389.4276 11.06046 5.460999       15.71930 
1 1 1 -7  9  10 o 430.7803 7.485986 5445.026       189.1278 4926.345       411.6145 5583.836       212.9364 408.8520 17.20465 436.2049 8.323556 -27.35291      19.11234 
1 1 1 -7  9  11 o 617.9266 9.759145 11207.74       353.6707 10568.06       754.7661 11387.71       400.3430 598.5233 21.53721 622.7886 10.96077 -24.26532      24.16588 
1 1 1 -7  9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9  13 o 392.0076 7.205641 4508.532       165.6600 3979.341       371.0822 4640.247       185.1319 367.4294 17.26882 397.6704 7.937931 -30.24109      19.00586 
1 1 1 -7  9  14 o 1009.048 16.64697 29942.43       985.1388 0.000000       0.000000 29942.43       985.1388 ?        ?        1009.048 16.64697 0.000000       16.64697 
1 1 1 -7  9  15 o 769.9271 15.00381 17425.11       677.4883 19849.90       1312.299 16544.01       791.0596 818.9988 27.35955 749.8108 17.98900 69.18799       32.74369 
1 1 1 -7  9  16 o 779.9305 12.19821 17867.55       557.9592 17250.73       1184.557 18043.42       632.5219 763.5137 26.49398 783.5792 13.76392 -20.06543      29.85593 
1 1 1 -7  9  17 o 619.3077 9.941278 11260.40       361.0765 11271.92       818.4200 11257.62       402.3517 617.6729 22.63091 619.1413 11.08066 -1.468445      25.19800 
1 1 1 -7  9  18 o 133.7056 9.462637 527.4614       73.72208 74.06296       232.7934 578.0009       77.72238 78.89777 32.08655 139.9901 9.523397 -61.09231      33.47001 
1 1 1 -7  9  19 f 804.6965 12.31195 19029.37       581.0446 17802.50       1213.839 19394.06       661.7914 774.7668 26.75419 812.1306 13.89456 -37.36377      30.14706 
1 1 1 -7  9  20 o 436.5517 7.678256 5593.888       196.5843 5246.256       440.1116 5680.531       219.7211 421.4986 17.84431 439.8704 8.517193 -18.37183      19.77276 
1 1 1 -7  9  21 o 156.3867 12.13327 723.4797       110.4128 693.5670       190.7362 738.5551       135.4070 151.5380 22.11288 157.6842 14.81565 -6.146149      26.61734 
1 1 1 -7  9  22 o 69.42765 14.28219 147.1714       56.21202 159.5432       162.4532 145.4887       59.91301 78.62849 27.99076 68.92574 15.22789 9.702744       31.86489 
1 1 1 -7  9  23 o 387.3385 7.134584 4405.189       162.0727 4154.851       358.5836 4469.459       181.6902 374.7921 16.35295 390.0935 7.941676 -15.30142      18.17936 
1 1 1 -7  9  24 o 319.7167 7.393918 3002.290       138.6406 2868.066       282.8654 3044.729       159.0554 311.2509 15.54517 321.7803 8.435543 -10.52939      17.68645 
1 1 1 -7  9  25 o 388.6566 7.097712 4437.082       161.7838 4152.804       357.7211 4510.180       181.3953 374.2784 16.33603 391.7654 7.894951 -17.48694      18.14376 
1 1 1 -7  9  26 o 335.2914 7.469992 3303.635       146.8903 3811.270       328.1041 3176.385       164.2725 358.5091 15.64255 328.5541 8.532475 29.95502       17.81832 
1 1 1 -7  9  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9  28 o 298.0381 6.596595 2610.097       115.3034 2393.227       262.5034 2661.942       128.3477 283.5759 15.84696 300.9170 7.272622 -17.34103      17.43609 
1 1 1 -7  9  29 o 115.2831 12.01492 396.6907       80.04308 250.8713       179.6958 432.7849       89.40230 91.35340 29.47340 120.3192 12.86925 -28.96575      32.16051 
1 1 1 -7  9  30 o 296.1254 6.796153 2577.562       118.0292 2266.812       265.8949 2653.818       131.7173 275.6184 16.52534 300.3986 7.476435 -24.78018      18.13791 
1 1 1 -7  9  31 o 111.6170 13.74109 374.2673       88.05376 290.5520       193.9752 395.9955       98.82240 97.30518 30.53476 114.5917 15.06941 -17.28649      34.05082 
1 1 1 -7  9  32 o 297.8112 6.619446 2606.602       115.6147 2569.942       157.5791 2649.346       170.1517 295.2759 9.110451 299.7056 9.693094 -4.429718      13.30250 
1 1 1 -7  9  33 o 199.5971 7.555185 1173.450       88.28056 1166.954       120.3863 1181.007       129.8447 198.6533 10.36900 199.7230 11.12927 -1.069748      15.21107 
1 1 1 -7  9  34 o 330.3024 7.305422 3209.325       141.5166 3135.050       214.5247 3266.549       188.2995 325.5653 11.25232 332.7045 9.660510 -7.139130      14.83038 
1 1 1 -7  9  35 o 267.7477 6.972636 2110.376       109.3965 2085.893       150.1684 2138.063       159.6904 265.7169 9.652302 268.9201 10.14342 -3.203186      14.00199 
1 1 1 -7  9  36 o 51.97458 19.24509 64.82168       77.82755 111.9495       111.0543 19.33694       109.1012 64.72903 23.13195 51.49850 21.55017 13.23053       31.61482 
1 1 1 -7  9  37 o 112.1560 12.71364 378.4683       82.15295 409.0650       115.1759 346.7787       117.2146 115.4074 17.57055 105.4837 19.67066 9.923737       26.37535 
1 1 1 -7  9  38 o 69.20531 19.32548 149.6259       81.42947 283.4113       112.2623 1.084359       118.2915 94.72253 20.78076 51.14511 21.95916 43.57741       30.23317 
1 1 1 -7  9  39 o 282.7216 7.596111 2360.163       125.8367 2380.123       177.0567 2339.791       178.8771 282.9642 10.68837 280.4791 10.89508 2.485138       15.26251 
1 1 1 -7  9  40 f 74.48177 19.44860 176.9355       85.85886 285.4381       127.6730 87.35291       116.0088 93.61623 23.33686 60.78646 23.27801 32.82978       32.96172 
1 1 1 -7  9  41 o 81.26648 19.94925 213.7099       94.36501 412.4848       149.5606 82.24139       121.6318 111.9746 23.52363 60.36205 23.63694 51.61251       33.34766 
1 1 1 -7  9  42 o 129.9981 11.70146 512.0431       88.25918 446.7214       125.0569 576.8667       124.5791 118.4898 18.60859 136.2822 15.88417 -17.79242      24.46603 
1 1 1 -7  9  43 o 224.8338 8.116665 1504.570       106.8505 1594.261       149.1688 1410.054       153.1277 229.9878 11.09188 215.6739 12.15533 14.31390       16.45545 
1 1 1 -7  9  44 o 36.62053 16.97132 -60.79527      86.69094 -103.1691      121.0355 -16.15830      124.2257 41.39094 19.46498 48.87233 21.69890 -7.481396      29.15009 
1 1 1 -7  9  45 o 146.8233 11.14467 656.1655       95.24815 667.7964       131.5668 643.3563       138.0709 145.6079 15.65222 142.1035 16.89763 3.504425       23.03306 
1 1 1 -7  9  46 o 101.4537 17.74064 335.9151       101.7156 290.5966       135.8976 393.6428       153.3789 90.15891 24.88662 104.9842 25.22612 -14.82526      35.43587 
1 1 1 -7  9  47 o 62.73165 22.25900 127.2746       102.6569 53.20009       142.1733 207.9613       148.3832 57.15436 24.29302 76.22881 26.78666 -19.07446      36.16180 
1 1 1 -7  9  48 o 143.2717 13.36408 642.5927       110.9971 523.7291       159.5039 754.2020       154.5599 121.9402 23.15000 151.8695 17.68345 -29.92931      29.13120 
1 1 1 -7  9  49 o 181.5602 11.77917 1018.455       124.7485 1086.799       195.7759 971.7363       161.8643 180.8326 18.73092 173.6028 16.08080 7.229858       24.68683 
1 1 1 -7  9  50 o 112.5394 19.46351 431.0811       123.8155 423.9810       200.1203 435.4847       157.6016 100.5816 30.92689 108.0332 25.31874 -7.451645      39.96888 
1 1 1 -7  10 1  f 483.8575 12.22696 6888.183       346.6878 6497.288       469.7084 7355.980       513.8395 469.1652 17.09933 499.1531 17.58012 -29.98788      24.52443 
1 1 1 -7  10 2  o 458.2006 16.68736 6195.035       447.6800 0.000000       0.000000 6195.035       447.6800 ?        ?        458.2006 16.68736 0.000000       16.68736 
1 1 1 -7  10 3  o 1079.122 24.91315 34511.50       1576.703 34343.53       2220.538 34682.29       2239.168 1070.198 35.42768 1075.384 35.55247 -5.186890      50.19063 
1 1 1 -7  10 4  o 377.1238 17.05244 4198.691       376.1803 0.000000       0.000000 4198.691       376.1803 ?        ?        377.1238 17.05244 0.000000       17.05244 
1 1 1 -7  10 5  o 656.1046 12.97903 12655.59       499.4200 12690.83       854.6479 12637.31       615.4310 655.0142 22.28018 655.1915 16.01624 -0.1773682     27.43950 
1 1 1 -7  10 6  o 231.3284 7.393580 1572.007       100.1789 1688.102       159.1775 1495.864       128.9105 239.4468 11.36747 225.4961 9.770816 13.95073       14.98961 
1 1 1 -7  10 7  o 1024.457 19.33610 30923.18       1161.751 34144.38       2173.834 29635.36       1374.502 1070.316 34.67667 1001.790 23.39473 68.52606       41.83043 
1 1 1 -7  10 8  o 684.7126 10.65556 13766.20       427.8929 12838.43       902.3083 14035.38       486.0177 659.1642 23.37755 691.2524 11.98850 -32.08820      26.27230 
1 1 1 -7  10 9  o 265.7329 7.123139 2073.282       110.9112 1737.701       247.8930 2157.273       124.0165 242.4034 17.55610 271.0320 7.810189 -28.62860      19.21498 
1 1 1 -7  10 10 o 297.2113 6.314919 2591.355       110.0737 2374.024       293.7606 2626.854       118.7234 283.5291 17.75542 299.2311 6.765177 -15.70197      19.00060 
1 1 1 -7  10 11 o 463.1542 7.778716 6294.083       211.2925 6520.172       508.1965 6246.833       232.3248 470.3878 18.45733 461.3822 8.585868 9.005646       20.35657 
1 1 1 -7  10 12 o 519.4011 13.58566 7930.889       413.4862 8189.413       602.1001 7700.144       568.8326 527.1062 19.51058 511.1639 19.00776 15.94229       27.23890 
1 1 1 -7  10 13 o 499.7608 8.383310 7329.240       245.7131 7779.355       587.8176 7233.938       270.4772 513.6880 19.54725 496.4601 9.289574 17.22794       21.64235 
1 1 1 -7  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  10 15 o 286.0714 10.44925 2405.898       175.0167 0.000000       0.000000 2405.898       175.0167 ?        ?        286.0714 10.44925 0.000000       10.44925 
1 1 1 -7  10 16 o 554.8126 10.15535 9037.436       330.4394 8864.729       689.2028 9088.986       376.5398 547.9060 21.48986 556.2933 11.54135 -8.387329      24.39296 
1 1 1 -7  10 17 o 538.4444 8.916093 8510.263       281.5568 8432.064       646.8156 8528.545       312.7411 534.3865 20.67734 538.9592 9.894153 -4.572632      22.92262 
1 1 1 -7  10 18 o 593.6327 9.522108 10346.67       331.5136 10151.33       747.4214 10394.51       369.8884 586.0538 21.78382 594.9142 10.60147 -8.860352      24.22655 
1 1 1 -7  10 19 o 477.9578 8.082943 6705.637       226.5738 6508.078       520.4832 6751.828       251.6707 469.4212 18.94465 479.5463 8.948528 -10.12509      20.95175 
1 1 1 -7  10 20 f 688.7232 10.65832 13937.93       430.5108 13095.85       919.2034 14174.54       487.2556 664.5366 23.62292 694.3600 11.96525 -29.82336      26.48036 
1 1 1 -7  10 21 o 267.1488 6.560911 2094.664       102.7940 1894.944       258.6278 2132.134       112.0225 252.8045 17.55276 269.4142 7.095981 -16.60968      18.93284 
1 1 1 -7  10 22 o 575.5813 9.244091 9734.510       312.0480 8914.994       659.4642 9970.939       354.2122 548.2655 20.54560 582.3768 10.37072 -34.11127      23.01464 
1 1 1 -7  10 23 o 330.3266 6.753285 3203.698       130.8305 2853.623       290.7917 3292.545       146.4948 310.4540 16.02531 334.8295 7.460156 -24.37546      17.67667 
1 1 1 -7  10 24 o 634.7292 10.00046 11851.47       372.2707 11076.75       786.2693 12075.32       422.6446 609.5538 22.03046 640.4263 11.25267 -30.87250      24.73791 
1 1 1 -7  10 25 o 313.7661 6.567676 2891.401       120.8560 2572.641       281.1988 2963.623       133.8487 294.3375 16.35416 317.6118 7.185666 -23.27435      17.86315 
1 1 1 -7  10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  10 27 o 122.9049 8.363395 446.3658       59.92489 410.3824       183.6629 450.6528       63.39418 114.1694 27.71269 123.4445 8.814435 -9.275063      29.08070 
1 1 1 -7  10 28 f 266.1677 7.582411 2084.938       118.2416 2672.854       275.0591 1951.666       130.9594 299.7212 15.70274 257.3666 8.688748 42.35461       17.94632 
1 1 1 -7  10 29 o 292.4472 8.998002 2520.699       154.1442 0.000000       0.000000 2520.699       154.1442 ?        ?        292.4472 8.998002 0.000000       8.998002 
1 1 1 -7  10 30 o 197.6701 7.349992 1150.565       85.05919 1028.060       220.9368 1171.882       92.16319 184.0905 20.82928 199.4320 7.895346 -15.34148      22.27545 
1 1 1 -7  10 31 o 170.2160 8.421364 854.7623       83.80746 947.8414       227.6376 840.1679       90.13864 176.1914 22.54565 168.6613 9.146889 7.530121       24.33047 
1 1 1 -7  10 32 o 150.6996 8.774737 670.8375       77.21722 620.2646       102.1401 738.2949       117.9647 144.3863 12.17536 157.4878 12.88439 -13.10153      17.72701 
1 1 1 -7  10 33 o 142.2131 14.23801 605.4412       117.1564 0.000000       0.000000 605.4412       117.1564 ?        ?        142.2131 14.23801 0.000000       14.23801 
1 1 1 -7  10 34 o 142.5551 9.400905 601.7095       78.15774 584.2945       106.6123 621.9435       114.9179 139.8193 13.15599 144.1675 13.75824 -4.348175      19.03600 
1 1 1 -7  10 35 o 283.8221 6.802965 2369.805       113.2387 2286.988       153.0747 2469.907       168.2922 278.2577 9.393529 289.0596 9.941983 -10.80191      13.67777 
1 1 1 -7  10 36 o 286.3572 7.856321 2418.100       131.8158 2215.762       153.3568 2990.418       257.9188 273.7320 9.567430 316.6301 13.92334 -42.89816      16.89364 
1 1 1 -7  10 37 o 157.2507 9.416094 733.2412       86.44105 704.2058       118.7415 765.9766       126.0805 153.2349 13.34579 159.7991 13.58168 -6.564209      19.04133 
1 1 1 -7  10 38 o 138.1138 13.83094 575.0643       110.5256 540.0326       221.5581 586.6704       127.5268 127.9502 30.04215 138.9043 15.94303 -10.95411      34.01046 
1 1 1 -7  10 39 o 306.2801 7.979314 2772.475       143.2072 2619.266       214.1720 2896.366       192.5934 296.0710 12.36155 312.1518 10.53532 -16.08075      16.24195 
1 1 1 -7  10 40 o 75.15168 19.03480 180.5004       83.97346 306.4767       124.1278 74.19254       114.0269 97.16811 22.26072 58.53558 22.89654 38.63254       31.93417 
1 1 1 -7  10 41 o 100.0629 15.18004 311.1014       86.29061 217.6627       123.1464 401.2366       120.9499 81.19450 24.11158 112.2818 19.04730 -31.08734      30.72732 
1 1 1 -7  10 42 o 165.4587 9.733183 820.2189       94.03132 877.6993       135.9260 767.4643       130.2183 169.4005 13.80109 158.1527 14.18995 11.24780       19.79457 
1 1 1 -7  10 43 o 108.8336 14.51405 368.3973       90.33335 412.3379       125.0592 320.4594       130.6237 112.7732 19.62078 97.37653 23.20375 15.39668       30.38732 
1 1 1 -7  10 44 o 34.68137 16.35129 -82.69878      86.38794 -18.59562      122.3588 -146.4099      121.9841 48.20048 21.45988 38.82911 18.61997 9.371365       28.41179 
1 1 1 -7  10 45 o 111.8313 14.86302 393.8514       95.06985 470.8380       132.2964 311.6420       136.7103 119.6662 19.52315 94.04406 24.53364 25.62210       31.35367 
1 1 1 -7  10 46 f 74.68689 21.00957 190.8325       95.86767 149.9145       131.7222 236.9178       139.7921 68.12732 25.07043 81.16027 25.97777 -13.03295      36.10223 
1 1 1 -7  10 47 o 130.7454 14.41314 539.4912       108.6870 582.5530       157.4362 500.2811       150.2302 130.8675 21.24022 120.4511 22.07993 10.41639       30.63773 
1 1 1 -7  10 48 o 59.55960 22.81280 105.4231       111.4334 120.2385       164.7989 92.94320       151.2523 65.66597 26.88630 61.69891 25.55958 3.967064       37.09669 
1 1 1 -7  10 49 o 88.97365 22.82803 285.7323       119.6966 71.55191       184.0676 442.6662       157.5600 62.24534 27.05858 109.4064 25.09113 -47.16110      36.90165 
1 1 1 -7  10 50 o 203.6044 11.72810 1282.412       139.4516 1287.044       222.1751 1279.400       179.1325 195.1157 19.68452 199.6508 15.41801 -4.535110      25.00391 
1 1 1 -7  11 1  o 837.9786 19.66397 20707.39       966.3952 18641.08       1253.021 23740.95       1518.226 792.6667 26.99300 893.8745 28.99909 -101.2078      39.61779 
1 1 1 -7  11 2  o 243.6547 8.135378 1744.473       116.0897 1612.345       157.2518 1902.736       172.1027 233.9850 11.49445 254.2236 11.57343 -20.23868      16.31155 
1 1 1 -7  11 3  o 692.2927 16.46068 14106.87       668.3255 13816.34       929.7487 14417.48       961.3535 683.4734 23.22871 698.1270 23.51356 -14.65363      33.05239 
1 1 1 -7  11 4  o 505.7108 12.67769 7520.034       375.7079 7010.967       504.7169 8152.684       562.6548 487.6411 17.67731 525.8032 18.27380 -38.16202      25.42477 
1 1 1 -7  11 5  o 685.1521 11.89885 13789.93       478.1261 0.000000       0.000000 13789.93       478.1261 ?        ?        685.1521 11.89885 0.000000       11.89885 
1 1 1 -7  11 6  o 102.7612 7.743202 311.6285       46.32266 0.000000       0.000000 311.6285       46.32266 ?        ?        102.7612 7.743202 0.000000       7.743202 
1 1 1 -7  11 7  o 392.9947 7.889153 4532.005       181.8309 0.000000       0.000000 4532.005       181.8309 ?        ?        392.9947 7.889153 0.000000       7.889153 
1 1 1 -7  11 8  o 747.2914 12.91721 16404.15       566.1212 0.000000       0.000000 16404.15       566.1212 ?        ?        747.2914 12.91721 0.000000       12.91721 
1 1 1 -7  11 9  o 262.0295 6.251560 2014.141       96.07028 1775.588       269.4728 2048.876       102.8270 244.9148 18.90699 264.1893 6.641799 -19.27451      20.03966 
1 1 1 -7  11 10 o 819.6423 12.49595 19730.59       600.6814 19857.63       1326.269 19697.81       673.7451 819.3643 27.63925 818.7964 14.03037 0.5679321      30.99644 
1 1 1 -7  11 11 o 338.7023 6.809506 3365.570       135.2647 2893.546       325.3491 3464.209       148.7278 313.1306 17.78951 343.6160 7.380205 -30.48535      19.25965 
1 1 1 -7  11 12 o 545.0349 14.31603 8735.396       457.2158 8942.146       667.0276 8552.167       627.9425 550.6212 20.69254 538.5795 19.91444 12.04169       28.71874 
1 1 1 -7  11 13 o 388.6933 7.441272 4432.939       169.6308 4053.278       411.0016 4510.890       186.2324 370.5933 18.97332 392.0744 8.099091 -21.48114      20.62964 
1 1 1 -7  11 14 o 1047.875 24.40298 32412.78       1499.696 30307.67       2019.849 34998.97       2238.789 1009.529 34.16456 1084.449 35.24768 -74.92078      49.08784 
1 1 1 -7  11 15 o 1028.925 24.02275 31255.43       1449.629 30421.81       2022.810 32135.59       2078.494 1011.081 34.16196 1039.206 34.14971 -28.12433      48.30365 
1 1 1 -7  11 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  11 17 o 262.4205 7.179564 2022.291       110.3921 2035.685       321.1609 2020.496       117.5549 261.8582 21.09077 262.2784 7.650539 -0.4201965     22.43549 
1 1 1 -7  11 18 o 368.4137 7.139864 3983.111       154.2682 4110.009       400.6285 3961.020       167.1578 372.9952 18.37072 367.3654 7.758503 5.629852       19.94186 
1 1 1 -7  11 19 o 919.1465 13.96154 24856.54       752.6075 23500.70       1574.473 25258.09       856.8359 887.7673 30.28461 926.1137 15.77549 -38.34637      34.14709 
1 1 1 -7  11 20 o 859.5972 16.51371 21784.20       832.5115 21150.93       1420.079 22115.80       1027.620 841.9550 28.80136 864.9470 20.25782 -22.99207      35.21218 
1 1 1 -7  11 21 o 317.5548 6.802414 2960.129       126.6871 2601.808       306.0052 3034.248       139.1744 296.3112 17.68934 321.4762 7.381763 -25.16504      19.16777 
1 1 1 -7  11 22 o 226.6414 6.658448 1509.279       88.40804 1389.984       226.6198 1530.693       96.01579 216.0782 18.04751 228.2079 7.182947 -12.12964      19.42440 
1 1 1 -7  11 23 o 548.3389 8.835640 8837.456       284.1434 8608.986       635.2866 8894.591       317.6917 538.2216 20.16167 549.9538 9.849839 -11.73218      22.43908 
1 1 1 -7  11 24 o 310.5879 6.605015 2832.925       120.3120 2739.704       302.7073 2850.413       131.1127 303.6935 17.06426 311.5033 7.176812 -7.809784      18.51204 
1 1 1 -7  11 25 o 333.4524 7.713374 3267.934       150.8443 3013.612       309.5317 3347.146       172.7453 318.4814 16.62944 337.2487 8.741213 -18.76740      18.78689 
1 1 1 -7  11 26 o 408.2304 7.383058 4898.091       176.7633 4203.483       381.3572 5088.156       199.4866 375.8533 17.34746 415.9676 8.177184 -40.11429      19.17813 
1 1 1 -7  11 27 o 117.9622 11.09265 413.9454       75.84052 720.8422       195.6635 359.6855       82.27217 153.5055 22.39301 109.5601 13.06102 43.94543       25.92368 
1 1 1 -7  11 28 o 316.2740 6.837404 2940.065       126.8251 2690.161       303.4231 2992.968       139.6052 300.1797 17.30861 319.0361 7.461241 -18.85638      18.84829 
1 1 1 -7  11 29 o 64.45216 16.30581 128.2262       61.67189 586.9601       233.7937 93.91845       63.93647 135.8862 30.12724 56.28328 17.51089 79.60289       34.84655 
1 1 1 -7  11 30 o 176.5544 8.012656 918.9645       82.75077 1085.362       245.3280 897.6020       87.90231 188.6731 22.62157 174.4122 8.620264 14.26082       24.20835 
1 1 1 -7  11 31 o 214.7232 7.860733 1358.078       98.82320 1577.659       295.6354 1330.455       104.8549 228.0343 22.39431 212.4535 8.432137 15.58076       23.92919 
1 1 1 -7  11 32 o 169.4051 8.976397 847.4459       88.86404 779.4939       263.4034 856.1734       94.39836 157.1733 29.66259 170.2075 9.494228 -13.03426      31.14497 
1 1 1 -7  11 33 o 95.07736 13.36867 272.8516       72.48846 302.1504       97.70820 236.9846       108.1071 99.27170 17.41733 87.08498 21.33735 12.18671       27.54352 
1 1 1 -7  11 34 o 56.49725 18.52875 92.19121       70.86263 -3.597489      94.69500 214.0993       106.8283 45.70210 19.63513 82.71040 21.74105 -37.00831      29.29524 
1 1 1 -7  11 35 o 281.3604 6.898296 2329.540       113.8296 2213.507       150.7970 2483.229       173.5490 273.6935 9.408575 289.7096 10.23036 -16.01602      13.89898 
1 1 1 -7  11 36 o 151.4625 11.15336 683.1340       98.37954 647.2711       111.7208 806.9653       207.5996 146.9826 13.09743 161.1945 22.57799 -14.21187      26.10188 
1 1 1 -7  11 37 o 118.3637 11.99255 420.1842       82.10165 235.1751       110.0643 652.2662       123.2738 86.11761 21.78116 147.1011 14.47645 -60.98344      26.15314 
1 1 1 -7  11 38 f 273.2821 7.448040 2203.999       119.2610 2116.648       158.3902 2318.356       181.2286 267.0855 10.13014 279.2181 11.08913 -12.13260      15.01960 
1 1 1 -7  11 39 o 79.31525 18.83406 199.5825       86.29663 195.3600       124.0832 203.5380       120.0980 78.53702 24.38799 79.82691 23.83714 -1.289894      34.10254 
1 1 1 -7  11 40 o 59.69448 20.00031 106.4493       82.44725 86.37875       122.4600 123.0894       111.5045 61.22881 23.79136 65.31859 23.19625 -4.089779      33.22793 
1 1 1 -7  11 41 o 187.0570 8.891418 1042.769       97.26363 956.8323       136.8597 1130.467       138.2540 177.4317 13.24768 193.4135 12.25119 -15.98177      18.04418 
1 1 1 -7  11 42 o 106.0980 14.80721 350.2802       89.63005 454.1409       130.3548 257.1463       123.4398 118.8530 19.36734 87.30847 23.56418 31.54456       30.50187 
1 1 1 -7  11 43 o 167.3656 10.47323 844.4327       102.2857 739.5592       144.2142 950.5949       145.0975 153.6648 16.24813 175.6567 14.20571 -21.99190      21.58249 
1 1 1 -7  11 44 o 66.59547 20.94061 146.1778       91.18391 246.5251       127.7594 41.98900       130.1818 84.09063 24.44909 55.34248 23.37178 28.74815       33.82304 
1 1 1 -7  11 45 o 45.04388 19.45364 8.279450       93.89248 27.53227       129.6036 -12.98636      136.2106 53.44661 22.96681 50.75359 22.61644 2.693020       32.23317 
1 1 1 -7  11 46 o 82.39258 20.87288 233.0291       100.9602 127.6536       145.3317 331.3137       140.3568 65.91484 25.82965 96.02655 24.76248 -30.11171      35.78199 
1 1 1 -7  11 47 o 46.13161 20.22377 3.465349       104.7149 50.70894       150.8558 -40.46477      145.4694 57.73631 24.79379 49.37970 22.55268 8.356606       33.51649 
1 1 1 -7  11 48 o 52.26738 21.81199 50.43405       111.3120 85.18289       165.4507 21.69923       150.4537 62.17485 26.30711 54.78411 24.12156 7.390743       35.69193 
1 1 1 -7  11 49 o 72.26550 24.52170 189.6308       123.9336 117.4238       191.8095 241.3805       162.3808 66.60699 28.26005 79.09345 28.00165 -12.48647      39.78345 
1 1 1 -7  11 50 o 84.45267 24.50405 267.4925       128.4533 -40.46375      201.7763 477.3494       166.5663 55.98108 25.92568 112.4888 25.79847 -56.50770      36.57461 
1 1 1 -7  12 1  o 645.9976 15.49549 12272.00       587.0659 11630.08       796.5186 13035.43       868.6342 627.6581 21.67076 664.4076 22.32384 -36.74951      31.11231 
1 1 1 -7  12 2  o 602.6136 11.89686 10666.40       420.4573 0.000000       0.000000 10666.40       420.4573 ?        ?        602.6136 11.89686 0.000000       11.89686 
1 1 1 -7  12 3  o 639.3995 15.86212 12023.06       594.8181 0.000000       0.000000 12023.06       594.8181 ?        ?        639.3995 15.86212 0.000000       15.86212 
1 1 1 -7  12 4  o 573.1716 11.76359 9648.403       395.4349 0.000000       0.000000 9648.403       395.4349 ?        ?        573.1716 11.76359 0.000000       11.76359 
1 1 1 -7  12 5  o 678.9821 11.76522 13538.68       468.4991 0.000000       0.000000 13538.68       468.4991 ?        ?        678.9821 11.76522 0.000000       11.76522 
1 1 1 -7  12 6  o 634.2060 11.07777 11809.50       412.0342 0.000000       0.000000 11809.50       412.0342 ?        ?        634.2060 11.07777 0.000000       11.07777 
1 1 1 -7  12 7  o 701.6533 12.33042 14458.55       507.4005 0.000000       0.000000 14458.55       507.4005 ?        ?        701.6533 12.33042 0.000000       12.33042 
1 1 1 -7  12 8  o 826.3870 14.15188 20065.42       685.8802 0.000000       0.000000 20065.42       685.8802 ?        ?        826.3870 14.15188 0.000000       14.15188 
1 1 1 -7  12 9  f 974.1462 16.31434 27900.53       932.0604 0.000000       0.000000 27900.53       932.0604 ?        ?        974.1462 16.31434 0.000000       16.31434 
1 1 1 -7  12 10 o 653.2142 10.18390 12525.24       390.1397 12074.53       863.2882 12640.91       437.3484 639.5687 23.05309 656.1395 11.36530 -16.57080      25.70243 
1 1 1 -7  12 11 o 525.7233 10.03850 8113.144       309.5112 7971.227       630.0626 8158.284       355.3414 519.8144 20.70880 527.0980 11.49487 -7.283569      23.68515 
1 1 1 -7  12 12 o 493.3989 14.43815 7160.747       417.3428 6325.999       572.4897 8107.498       609.6887 462.8792 21.14453 524.3327 19.86262 -61.45352      29.01060 
1 1 1 -7  12 13 o 581.7406 12.46565 9941.074       425.2994 9960.698       767.5898 9932.381       510.8890 580.7357 22.58024 581.0680 15.00419 -0.3322754     27.11075 
1 1 1 -7  12 14 o 688.1214 13.73350 13915.92       554.2386 0.000000       0.000000 13915.92       554.2386 ?        ?        688.1214 13.73350 0.000000       13.73350 
1 1 1 -7  12 15 o 272.3229 7.811006 2178.092       124.6214 2843.758       395.2769 2104.622       131.3187 309.7259 21.90198 267.6545 8.375996 42.07138       23.44897 
1 1 1 -7  12 16 o 926.8121 14.15707 25256.31       769.5125 24484.38       1640.881 25473.94       871.2602 907.4760 30.87625 930.4576 15.96617 -22.98157      34.76005 
1 1 1 -7  12 17 o 190.6645 8.072620 1068.927       90.06396 855.4427       306.0645 1089.166       94.23637 166.7775 32.45970 192.4447 8.369541 -25.66722      33.52136 
1 1 1 -7  12 18 o 418.0184 7.724781 5129.101       189.3791 5032.665       457.1583 5149.078       208.0719 412.6213 18.94194 418.7896 8.471629 -6.168365      20.75008 
1 1 1 -7  12 19 o 337.1178 6.980349 3335.702       138.0096 3305.420       366.4411 3340.707       148.9794 334.1021 18.77698 337.3450 7.530110 -3.242828      20.23060 
1 1 1 -7  12 20 f 142.0599 8.237404 594.6360       68.33538 96.48079       239.2550 638.8838       71.30572 81.39401 32.73393 147.2633 8.289651 -65.86928      33.76727 
1 1 1 -7  12 21 o 300.1220 6.615753 2644.136       116.4468 2492.883       310.3313 2668.922       125.6263 289.8043 18.35299 301.5006 7.104638 -11.69629      19.68015 
1 1 1 -7  12 22 o 192.9713 6.763451 1094.709       76.42572 986.5823       231.4662 1107.940       80.96651 180.8500 22.29463 194.1087 7.124383 -13.25874      23.40528 
1 1 1 -7  12 23 o 271.9137 7.622839 2173.896       121.4422 1766.128       260.8889 2286.694       137.2149 243.4093 18.41198 278.8060 8.401258 -35.39673      20.23814 
1 1 1 -7  12 24 o 591.7285 9.511229 10301.46       330.0727 9452.074       700.0984 10544.22       374.2812 562.7391 21.25116 598.4066 10.66476 -35.66754      23.77706 
1 1 1 -7  12 25 o 257.7984 10.60673 1960.975       160.0235 1688.262       261.0682 2125.103       202.5316 237.5203 18.89711 267.9957 12.92399 -30.47533      22.89389 
1 1 1 -7  12 26 o 132.0551 8.382102 515.0095       64.58201 493.9439       215.0726 517.0972       67.70660 124.9561 29.77321 132.2786 8.777166 -7.322479      31.04002 
1 1 1 -7  12 27 o 243.2108 6.642354 1739.555       94.65610 1873.839       271.3300 1720.947       101.0015 250.0274 18.63782 241.8526 7.128544 8.174774       19.95456 
1 1 1 -7  12 28 o 211.9753 7.386176 1322.897       91.68353 0.000000       0.000000 1322.897       91.68353 ?        ?        211.9753 7.386176 0.000000       7.386176 
1 1 1 -7  12 29 o 318.2021 7.071959 2976.821       131.9755 2900.369       338.7431 2990.503       143.2986 311.1728 18.64727 318.8606 7.662852 -7.687775      20.16035 
1 1 1 -7  12 30 o 356.0642 9.647150 3738.196       201.2693 0.000000       0.000000 3738.196       201.2693 ?        ?        356.0642 9.647150 0.000000       9.647150 
1 1 1 -7  12 31 o 137.7351 13.35600 566.4972       106.5350 989.7518       279.0783 494.2974       115.2639 178.4437 27.55337 128.1135 15.66636 50.33015       31.69579 
1 1 1 -7  12 32 o 24.19140 12.03468 -167.7748      66.98408 -337.5653      246.9198 -154.2870      69.59378 54.96421 26.39246 25.71172 12.69753 29.25249       29.28804 
1 1 1 -7  12 33 o 26.39220 12.88769 -121.8552      65.55773 -173.0726      85.94630 -50.59364      101.3785 29.42726 14.44975 42.45272 19.16566 -13.02546      24.00246 
1 1 1 -7  12 34 o 337.3706 6.837471 3348.120       135.2861 3321.009       185.8506 3378.677       197.3102 335.3905 9.457940 338.1680 9.959553 -2.777466      13.73482 
1 1 1 -7  12 35 o 194.9733 7.828195 1121.791       89.33128 1227.394       121.0094 995.3177       132.4284 203.5286 10.17001 182.7388 12.43062 20.78981       16.06080 
1 1 1 -7  12 36 o 123.4944 11.44526 455.9248       81.95097 280.6265       113.4263 647.3688       118.5348 94.33051 21.03857 146.7474 13.94009 -52.41685      25.23782 
1 1 1 -7  12 37 o 66.02525 19.24731 135.0850       79.08546 95.88703       109.8271 177.3003       113.9757 61.80471 22.86593 75.62973 23.35492 -13.82502      32.68491 
1 1 1 -7  12 38 o 175.9108 9.237321 918.2253       94.96521 835.5126       132.9854 1004.294       135.6566 166.5784 13.73432 183.0534 12.71512 -16.47502      18.71645 
1 1 1 -7  12 39 o 147.2469 10.11192 647.1960       86.79315 618.2484       123.7211 675.2469       121.7897 142.3886 15.04269 149.2121 14.08397 -6.823471      20.60681 
1 1 1 -7  12 40 o 85.11376 17.78687 230.5329       85.92222 104.3558       125.9242 340.4560       117.5340 63.90372 24.30562 102.9353 20.19089 -39.03158      31.59803 
1 1 1 -7  12 41 o 43.70634 18.57627 10.44743       83.12688 124.0804       124.4228 -81.16580      111.7189 66.03075 24.35427 41.32072 19.18964 24.71003       31.00601 
1 1 1 -7  12 42 o 53.12724 20.14727 71.11481       86.36681 102.8870       127.5853 44.24084       117.3392 63.03142 24.34067 54.27501 22.50088 8.756409       33.14751 
1 1 1 -7  12 43 o 75.08173 20.55166 187.6097       93.11986 381.0816       137.7759 24.90266       126.3477 106.2203 22.79859 53.27699 22.78066 52.94326       32.22940 
1 1 1 -7  12 44 o 56.18105 20.95764 88.41447       92.61830 -39.38429      137.1791 195.4733       125.5555 48.92902 22.17180 75.50105 24.65770 -26.57203      33.16008 
1 1 1 -7  12 45 o 68.48224 21.45422 158.0001       95.79977 113.2375       139.0916 198.3993       132.1384 64.04317 25.21688 75.50694 25.32025 -11.46377      35.73522 
1 1 1 -7  12 46 o 180.9395 10.63299 996.7021       112.3365 879.5623       158.8054 1114.026       158.9303 165.6728 16.56612 188.4250 14.49323 -22.75215      22.01114 
1 1 1 -7  12 47 f 50.09108 21.07934 38.69677       105.2962 21.21024       152.2016 54.74893       145.8257 55.14651 24.27194 57.38677 24.50412 -2.240257      34.49027 
1 1 1 -7  12 48 o 42.62087 19.34980 -31.16105      105.0829 -15.60001      154.9707 -44.40587      142.9728 52.27470 23.63882 48.34793 22.18504 3.926765       32.41866 
1 1 1 -7  12 49 o 165.6038 13.47113 863.1955       129.7062 742.4257       194.7340 959.4999       173.8945 143.6463 23.95852 170.6450 17.62919 -26.99876      29.74557 
1 1 1 -7  12 50 o 50.56924 21.72123 35.06140       115.8353 -85.69503      163.7585 155.9874       163.8734 48.32606 22.69961 68.07922 27.18896 -19.75315      35.41909 
1 1 1 -7  13 1  o 1563.826 51.30912 73724.11       4699.431 0.000000       0.000000 73724.11       4699.431 ?        ?        1563.826 51.30912 0.000000       51.30912 
1 1 1 -7  13 2  o 1151.173 27.57228 39162.00       1861.504 0.000000       0.000000 39162.00       1861.504 ?        ?        1151.173 27.57228 0.000000       27.57228 
1 1 1 -7  13 3  o 1135.213 21.18919 37961.56       1410.725 0.000000       0.000000 37961.56       1410.725 ?        ?        1135.213 21.18919 0.000000       21.18919 
1 1 1 -7  13 4  o 1206.662 22.90178 42919.44       1620.710 0.000000       0.000000 42919.44       1620.710 ?        ?        1206.662 22.90178 0.000000       22.90178 
1 1 1 -7  13 5  o 695.7004 13.74786 14219.25       560.9290 0.000000       0.000000 14219.25       560.9290 ?        ?        695.7004 13.74786 0.000000       13.74786 
1 1 1 -7  13 6  o 349.8741 7.485191 3591.568       153.5908 0.000000       0.000000 3591.568       153.5908 ?        ?        349.8741 7.485191 0.000000       7.485191 
1 1 1 -7  13 7  o 606.3688 10.88045 10794.50       386.9318 0.000000       0.000000 10794.50       386.9318 ?        ?        606.3688 10.88045 0.000000       10.88045 
1 1 1 -7  13 8  o 285.0594 7.194370 2385.573       120.1798 0.000000       0.000000 2385.573       120.1798 ?        ?        285.0594 7.194370 0.000000       7.194370 
1 1 1 -7  13 9  f 665.5196 11.57020 13005.81       451.5982 0.000000       0.000000 13005.81       451.5982 ?        ?        665.5196 11.57020 0.000000       11.57020 
1 1 1 -7  13 10 o 412.1426 8.567336 4984.841       207.0827 0.000000       0.000000 4984.841       207.0827 ?        ?        412.1426 8.567336 0.000000       8.567336 
1 1 1 -7  13 11 o 1207.204 23.39939 42989.64       1656.669 0.000000       0.000000 42989.64       1656.669 ?        ?        1207.204 23.39939 0.000000       23.39939 
1 1 1 -7  13 12 o 767.8372 11.98168 17316.57       539.5572 16422.00       1178.926 17553.59       606.8420 744.8029 27.03433 772.9191 13.38724 -28.11621      30.16743 
1 1 1 -7  13 13 f 701.7328 11.18495 14461.30       460.3165 15191.72       1092.942 14303.79       507.5261 716.4318 26.05529 697.7825 12.40189 18.64929       28.85628 
1 1 1 -7  13 14 o 808.9297 12.13103 19224.00       575.5182 21383.43       1445.321 18817.09       627.4037 848.9677 29.07126 800.1642 13.36957 48.80341       31.99818 
1 1 1 -7  13 15 f 832.5847 12.86908 20372.34       628.3857 21310.95       1434.809 20149.58       698.9864 847.2795 28.91705 827.7894 14.39787 19.49011       32.30316 
1 1 1 -7  13 16 o 702.0675 11.06790 14479.32       455.7162 14049.96       1000.758 14591.64       511.8671 688.6933 24.81781 704.6279 12.38645 -15.93463      27.73712 
1 1 1 -7  13 17 f 291.4536 7.176425 2493.013       122.6671 2453.900       356.4352 2498.268       130.6477 287.4471 21.29449 291.6442 7.644915 -4.197021      22.62521 
1 1 1 -7  13 18 o 363.7182 7.341606 3883.179       156.6053 4039.769       421.6783 3858.126       168.6688 369.3467 19.53637 362.5124 7.933436 6.834320       21.08576 
1 1 1 -7  13 19 o 477.3687 10.46926 6697.770       293.1031 7045.837       561.9102 6567.667       343.5425 487.8065 19.68165 472.3275 12.41261 15.47903       23.26887 
1 1 1 -7  13 20 o 223.0161 7.006408 1461.595       91.52569 1243.184       285.0308 1486.705       96.64369 203.0670 24.42291 224.9023 7.336867 -21.83528      25.50114 
1 1 1 -7  13 21 o 344.7574 6.985959 3489.992       141.2506 3205.598       345.3173 3547.138       154.7928 328.7098 17.98093 347.5266 7.594726 -18.81677      19.51906 
1 1 1 -7  13 22 o 361.6764 7.060297 3841.780       149.7592 3718.365       376.0476 3865.043       163.2646 353.8309 18.18258 362.7188 7.674879 -8.887909      19.73601 
1 1 1 -7  13 23 o 177.5404 7.304670 927.5981       75.89614 926.4611       235.1189 927.7303       80.18885 174.5694 23.56651 177.5161 7.720858 -2.946716      24.79903 
1 1 1 -7  13 24 o 111.9328 12.17324 373.7934       78.62669 863.3159       246.4550 318.3239       82.96191 167.6059 25.90714 102.8534 14.12615 64.75254       29.50810 
1 1 1 -7  13 25 o 404.1297 7.423516 4800.469       175.9466 4729.743       419.8456 4815.537       193.7841 398.4710 18.01220 404.6638 8.165323 -6.192749      19.77654 
1 1 1 -7  13 26 o 204.0750 8.113346 1226.957       96.91118 1158.010       249.1165 1239.252       105.1976 195.3114 22.13823 205.0165 8.769424 -9.705078      23.81185 
1 1 1 -7  13 27 o 154.8640 10.44360 710.2546       94.29838 0.000000       0.000000 710.2546       94.29838 ?        ?        154.8640 10.44360 0.000000       10.44360 
1 1 1 -7  13 28 o 245.0154 8.457410 1768.970       121.3472 2326.462       317.6663 1673.722       131.3048 278.2742 19.58987 238.1793 9.418528 40.09489       21.73642 
1 1 1 -7  13 29 o 456.4647 8.241871 6131.366       220.6396 5883.684       523.3367 6184.908       243.3218 442.8552 20.20293 458.2878 9.052993 -15.43262      22.13854 
1 1 1 -7  13 30 o 142.1748 13.83406 604.0167       113.8945 0.000000       0.000000 604.0167       113.8945 ?        ?        142.1748 13.83406 0.000000       13.83406 
1 1 1 -7  13 31 o 88.63949 15.08789 239.4099       75.62706 260.9133       279.3221 237.7088       78.56140 99.18475 36.50630 88.17923 15.77016 11.00552       39.76692 
1 1 1 -7  13 32 o 234.9017 7.621589 1625.066       104.8593 1419.909       294.6396 1654.819       112.2057 215.4774 23.70636 236.9809 8.085137 -21.50348      25.04718 
1 1 1 -7  13 33 o 45.00870 17.65808 36.35106       67.98978 59.83613       247.9556 34.44175       70.69953 77.67042 32.49406 45.30513 17.93477 32.36529       37.11496 
1 1 1 -7  13 34 o 169.4598 8.312326 848.2960       82.35929 810.7878       109.8869 896.3716       124.4072 165.1206 11.41765 173.4664 12.30863 -8.345840      16.78884 
1 1 1 -7  13 35 o 330.8618 6.934977 3222.527       134.5681 3022.127       179.3117 3480.925       203.6122 319.7096 9.573969 342.9733 10.13373 -23.26370      13.94107 
1 1 1 -7  13 36 f 235.1020 7.277152 1629.902       100.2178 1392.174       129.7902 1980.931       157.7148 216.6562 10.24358 258.4734 10.42553 -41.81726      14.61583 
1 1 1 -7  13 37 o 172.7751 10.04759 886.9739       101.3715 805.9578       152.6318 950.9154       135.5972 162.9516 16.18483 178.1257 13.07098 -15.17413      20.80383 
1 1 1 -7  13 38 o 112.8154 13.40307 385.9065       86.94824 404.8863       125.0280 368.1306       120.9978 113.6591 19.45567 108.1389 19.80827 5.520233       27.76492 
1 1 1 -7  13 39 o 75.79763 18.21596 183.0624       79.96770 190.7544       120.3314 176.9783       107.0184 77.17078 24.02490 74.41660 22.56479 2.754189       32.96006 
1 1 1 -7  13 40 o 144.3964 10.68020 626.5658       89.80515 719.8049       136.9520 556.2282       118.9496 152.8734 15.48867 134.2583 15.38429 18.61501       21.83060 
1 1 1 -7  13 41 o 162.0454 10.21280 788.5667       96.56457 790.0931       140.4126 787.1970       133.0135 159.9894 15.14487 160.1155 14.31572 -0.1260834     20.84003 
1 1 1 -7  13 42 o 52.04555 20.35100 61.26824       90.05696 113.0333       134.5101 19.21280       121.2405 64.95919 25.01693 52.04985 22.28710 12.90934       33.50466 
1 1 1 -7  13 43 o 154.7604 11.24301 727.2620       101.3494 712.4431       145.4701 741.2398       141.2811 150.0720 16.81703 153.6818 15.90471 -3.609802      23.14676 
1 1 1 -7  13 44 o 54.04630 20.64154 76.84165       91.05814 -126.9466      132.8065 257.6391       125.0909 41.99957 19.94096 85.79862 23.95018 -43.79905      31.16493 
1 1 1 -7  13 45 o 96.26057 17.64204 303.0703       95.92816 416.0681       143.0886 210.8225       129.2850 109.5798 22.99931 77.31311 25.00454 32.26666       33.97344 
1 1 1 -7  13 46 o 55.21130 21.53263 80.69045       100.6044 98.60999       151.6592 66.60826       134.4437 62.82006 25.76465 57.53470 23.98783 5.285358       35.20274 
1 1 1 -7  13 47 o 84.84946 21.56212 252.7706       107.5028 177.4614       156.6566 319.7999       147.7940 71.70925 27.14791 92.35729 26.12300 -20.64804      37.67519 
1 1 1 -7  13 48 o 78.21336 22.61882 220.2224       109.6141 53.70602       161.1526 363.5937       149.5341 58.52374 25.38040 98.38094 25.65529 -39.85721      36.08821 
1 1 1 -7  13 49 o 36.75069 17.82178 -158.3680      119.5417 -312.2520      174.7157 -22.92073      163.9156 40.14297 19.87758 52.63504 24.00130 -12.49207      31.16377 
1 1 1 -7  14 1  o 506.4970 13.03864 7540.207       386.9888 0.000000       0.000000 7540.207       386.9888 ?        ?        506.4970 13.03864 0.000000       13.03864 
1 1 1 -7  14 2  o 536.3926 13.69218 8457.947       430.3788 0.000000       0.000000 8457.947       430.3788 ?        ?        536.3926 13.69218 0.000000       13.69218 
1 1 1 -7  14 3  o 484.8533 12.61961 6908.945       358.5399 0.000000       0.000000 6908.945       358.5399 ?        ?        484.8533 12.61961 0.000000       12.61961 
1 1 1 -7  14 4  o 343.3598 8.230265 3459.473       165.7348 0.000000       0.000000 3459.473       165.7348 ?        ?        343.3598 8.230265 0.000000       8.230265 
1 1 1 -7  14 5  o 497.0053 10.45267 7251.290       304.6765 0.000000       0.000000 7251.290       304.6765 ?        ?        497.0053 10.45267 0.000000       10.45267 
1 1 1 -7  14 6  o 551.3513 10.17091 8923.387       328.8811 0.000000       0.000000 8923.387       328.8811 ?        ?        551.3513 10.17091 0.000000       10.17091 
1 1 1 -7  14 7  o 249.8143 7.235487 1832.534       105.8956 0.000000       0.000000 1832.534       105.8956 ?        ?        249.8143 7.235487 0.000000       7.235487 
1 1 1 -7  14 8  o 661.9346 11.49695 12866.27       446.3218 0.000000       0.000000 12866.27       446.3218 ?        ?        661.9346 11.49695 0.000000       11.49695 
1 1 1 -7  14 9  o 530.0904 9.830924 8248.452       305.6292 0.000000       0.000000 8248.452       305.6292 ?        ?        530.0904 9.830924 0.000000       9.830924 
1 1 1 -7  14 10 o 496.3386 9.588820 7231.353       279.1218 0.000000       0.000000 7231.353       279.1218 ?        ?        496.3386 9.588820 0.000000       9.588820 
1 1 1 -7  14 11 o 417.8118 8.836233 5123.557       216.5202 0.000000       0.000000 5123.557       216.5202 ?        ?        417.8118 8.836233 0.000000       8.836233 
1 1 1 -7  14 12 o 363.5493 8.611662 3879.140       183.6119 3351.604       493.3250 3963.970       197.8245 335.8666 25.22910 367.4805 9.178998 -31.61395      26.84700 
1 1 1 -7  14 13 o 278.7380 7.973923 2282.016       130.2183 1488.494       422.2888 2365.399       136.8891 221.3273 33.58637 283.7738 8.233900 -62.44655      34.58094 
1 1 1 -7  14 14 o 805.0515 12.43071 19044.77       586.9080 19954.71       1363.051 18837.67       650.2772 819.9838 28.38649 800.4603 13.85186 19.52356       31.58587 
1 1 1 -7  14 15 o 710.2289 17.59791 14858.59       733.0103 15731.61       1100.298 14161.96       982.8777 728.4721 25.79485 691.5624 24.27121 36.90967       35.41843 
1 1 1 -7  14 16 o 231.9638 8.462860 1581.776       114.9369 1809.235       324.3278 1549.107       122.9140 246.3381 22.70455 229.5038 9.150239 16.83430       24.47904 
1 1 1 -7  14 17 o 375.9809 7.681684 4149.802       169.3841 3576.260       423.3129 4259.139       184.8255 347.2094 20.88487 380.8684 8.274400 -33.65894      22.46427 
1 1 1 -7  14 18 o 655.5031 11.78264 12636.42       452.9684 12131.03       885.3425 12815.62       527.1946 639.0504 23.66336 659.8143 13.62381 -20.76392      27.30500 
1 1 1 -7  14 19 o 493.3451 8.382964 7148.852       242.5487 7616.118       598.6631 7057.089       265.2980 506.8308 20.18079 490.0832 9.230255 16.74762       22.19148 
1 1 1 -7  14 20 o 417.0274 7.526408 5107.431       184.0784 5678.836       487.0081 5012.188       198.8286 437.5688 19.02296 413.0620 8.207541 24.50671       20.71803 
1 1 1 -7  14 21 o 80.99388 12.42867 197.6744       57.15509 -76.89932      263.9595 211.1811       58.54398 71.55660 31.70777 83.79831 12.27633 -12.24171      34.00134 
1 1 1 -7  14 22 o 343.5578 7.040043 3467.004       141.8488 3290.014       374.5016 3496.649       153.2685 332.3124 19.29875 344.9775 7.575506 -12.66510      20.73234 
1 1 1 -7  14 23 o 242.9005 6.745833 1734.436       96.00497 1633.484       299.1755 1746.025       101.3658 232.8677 22.17348 243.6787 7.100468 -10.81099      23.28261 
1 1 1 -7  14 24 o 520.8802 8.782833 7981.527       268.3015 7121.057       580.0477 8215.737       302.6208 488.2267 20.30207 528.2675 9.767746 -40.04071      22.52960 
1 1 1 -7  14 25 o 214.2541 11.08204 1357.220       138.7781 1197.996       260.3899 1420.391       164.0134 198.5788 22.76978 218.8962 12.83215 -20.31740      26.13670 
1 1 1 -7  14 26 o 377.7057 7.385276 4194.604       163.5953 4339.752       421.1169 4168.806       177.5397 380.9207 18.90938 376.4489 8.041534 4.471863       20.54826 
1 1 1 -7  14 27 o 269.6400 8.922412 2143.052       140.9025 0.000000       0.000000 2143.052       140.9025 ?        ?        269.6400 8.922412 0.000000       8.922412 
1 1 1 -7  14 28 o 131.6330 10.08654 513.7262       77.27454 0.000000       0.000000 513.7262       77.27454 ?        ?        131.6330 10.08654 0.000000       10.08654 
1 1 1 -7  14 29 o 52.71684 18.39280 74.28000       69.88043 243.1822       285.2753 63.49817       72.07633 98.04995 36.73964 50.94025 18.57745 47.10970       41.16945 
1 1 1 -7  14 30 o 329.7046 9.137116 3203.763       176.5085 3689.502       438.6122 3109.898       192.8101 349.9722 21.47299 324.6456 10.13917 25.32654       23.74641 
1 1 1 -7  14 31 o 35.65442 16.05841 -34.81872      70.68694 -431.6672      306.8040 -12.57184      72.64124 60.53099 29.15591 38.91133 16.95564 21.61966       33.72775 
1 1 1 -7  14 32 o 49.45998 18.38738 56.97292       71.17596 -144.4503      286.5768 70.21469       73.47832 69.81973 31.79804 52.39888 18.80526 17.42084       36.94256 
1 1 1 -7  14 33 o 58.37531 18.91225 99.61169       73.94082 202.7491       282.2931 92.01453       76.61569 93.16306 36.14365 57.10172 19.28095 36.06134       40.96484 
1 1 1 -7  14 34 o 191.2509 7.712256 1079.199       86.32642 1083.178       116.0509 1074.270       129.1678 191.1274 10.39231 190.0697 11.64340 1.057678       15.60669 
1 1 1 -7  14 35 o 120.1605 11.28935 431.5777       78.62552 433.1102       111.0970 430.0399       111.2898 119.1707 16.32440 118.7130 16.42428 0.4577026      23.15693 
1 1 1 -7  14 36 o 145.3090 9.829205 627.4229       83.27181 722.8013       116.3892 527.4006       119.1889 155.3100 12.89418 131.7529 15.73574 23.55710       20.34388 
1 1 1 -7  14 37 o 183.3644 9.106498 996.9603       97.62387 1170.965       145.0184 852.7560       132.0176 197.8082 12.56548 168.4144 13.47843 29.39375       18.42714 
1 1 1 -7  14 38 o 168.5031 9.385016 844.3563       92.37923 820.1823       134.6863 865.8312       126.9450 164.6405 14.08392 169.6188 12.85695 -4.978226      19.06981 
1 1 1 -7  14 39 o 168.3588 9.421233 845.0799       92.65275 885.1475       135.1856 809.5856       127.2369 170.8204 13.60636 163.4080 13.39411 7.412369       19.09281 
1 1 1 -7  14 40 o 72.70361 19.89176 171.6829       87.25848 243.6910       137.0034 122.5364       113.1845 85.14834 25.46753 64.84521 23.33121 20.30312       34.53897 
1 1 1 -7  14 41 o 87.83224 18.46363 249.4961       92.08477 328.8235       137.8454 185.5653       123.7474 98.48997 24.07118 75.11259 24.47611 23.37737       34.32931 
1 1 1 -7  14 42 o 88.89381 17.71723 255.1918       89.12358 261.4659       122.7690 248.2015       129.5867 87.56791 23.44155 84.99003 24.59771 2.577881       33.97873 
1 1 1 -7  14 43 o 88.59844 18.01172 256.3741       90.39771 240.1199       129.0134 272.0508       126.7013 82.92817 24.69231 88.45571 23.87330 -5.527542      34.34595 
1 1 1 -7  14 44 o 46.25518 19.32226 28.33242       87.47986 129.9509       123.4267 -74.24160      124.0057 65.10664 24.21173 43.65504 20.25435 21.45159       31.56654 
1 1 1 -7  14 45 o 57.43365 21.26162 97.64610       94.98207 30.62477       132.2722 168.9955       136.4763 53.75143 23.15112 70.80203 25.60049 -17.05061      34.51607 
1 1 1 -7  14 46 f 78.22391 21.69362 214.3720       102.9946 311.6114       151.9462 131.7178       140.0880 91.05724 26.71635 65.47661 25.44499 25.58063       36.89459 
1 1 1 -7  14 47 o 111.0124 17.40192 405.5152       109.5767 238.0217       159.0437 556.8641       151.1844 79.42820 27.74540 127.5322 20.93934 -48.10404      34.76008 
1 1 1 -7  14 48 o 45.52848 20.55750 -21.53010      116.6913 -113.8833      175.9630 50.96795       155.9045 48.86520 23.12799 57.57398 24.96613 -8.708782      34.03251 
1 1 1 -7  14 49 o 60.32535 23.76234 108.8741       123.5513 -49.17625      190.6023 223.4104       162.2565 54.21038 25.13755 76.34263 27.86852 -22.13225      37.53067 
1 1 1 -7  15 1  o 894.0578 17.08682 23508.67       895.9370 0.000000       0.000000 23508.67       895.9370 ?        ?        894.0578 17.08682 0.000000       17.08682 
1 1 1 -7  15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  15 3  f 1037.640 20.14322 31703.49       1225.818 0.000000       0.000000 31703.49       1225.818 ?        ?        1037.640 20.14322 0.000000       20.14322 
1 1 1 -7  15 4  o 696.6060 23.57249 14327.21       961.6503 0.000000       0.000000 14327.21       961.6503 ?        ?        696.6060 23.57249 0.000000       23.57249 
1 1 1 -7  15 5  o 1028.007 20.06998 31119.71       1210.022 0.000000       0.000000 31119.71       1210.022 ?        ?        1028.007 20.06998 0.000000       20.06998 
1 1 1 -7  15 6  o 554.8732 10.47990 9038.873       341.0371 0.000000       0.000000 9038.873       341.0371 ?        ?        554.8732 10.47990 0.000000       10.47990 
1 1 1 -7  15 7  o 414.7145 9.342419 5048.120       227.2266 0.000000       0.000000 5048.120       227.2266 ?        ?        414.7145 9.342419 0.000000       9.342419 
1 1 1 -7  15 8  o 636.6157 11.45496 11901.64       427.6826 0.000000       0.000000 11901.64       427.6826 ?        ?        636.6157 11.45496 0.000000       11.45496 
1 1 1 -7  15 9  o 449.3101 9.123393 5925.500       240.4103 0.000000       0.000000 5925.500       240.4103 ?        ?        449.3101 9.123393 0.000000       9.123393 
1 1 1 -7  15 10 o 609.0450 11.07491 10893.08       395.5853 0.000000       0.000000 10893.08       395.5853 ?        ?        609.0450 11.07491 0.000000       11.07491 
1 1 1 -7  15 11 o 545.6548 11.99253 8746.422       383.7773 0.000000       0.000000 8746.422       383.7773 ?        ?        545.6548 11.99253 0.000000       11.99253 
1 1 1 -7  15 12 o 391.8039 19.86978 4536.161       455.0846 0.000000       0.000000 4536.161       455.0846 ?        ?        391.8039 19.86978 0.000000       19.86978 
1 1 1 -7  15 13 o 691.4049 10.92753 14041.12       443.1034 13930.05       1021.226 14066.88       491.8102 685.7145 25.43792 691.9077 12.11989 -6.193176      28.17764 
1 1 1 -7  15 14 o 352.6157 7.546923 3649.169       156.0710 4309.088       490.2666 3574.751       164.6358 381.3368 22.01523 348.9815 8.043986 32.35529       23.43877 
1 1 1 -7  15 15 o 554.7944 11.60285 9046.053       377.5263 0.000000       0.000000 9046.053       377.5263 ?        ?        554.7944 11.60285 0.000000       11.60285 
1 1 1 -7  15 16 o 563.8103 10.31847 9340.145       341.1921 0.000000       0.000000 9340.145       341.1921 ?        ?        563.8103 10.31847 0.000000       10.31847 
1 1 1 -7  15 17 o 434.3906 9.068300 5542.768       231.0238 4809.154       480.8316 5762.951       263.4214 402.7165 20.42507 442.8392 10.14272 -40.12277      22.80478 
1 1 1 -7  15 18 o 387.1288 7.696958 4400.799       174.7532 3923.176       429.4940 4495.559       191.3047 363.4933 20.22676 391.2277 8.337686 -27.73444      21.87781 
1 1 1 -7  15 19 o 413.7436 7.588204 5027.360       184.1284 5289.906       471.6640 4980.155       199.9975 422.2928 19.09385 411.7370 8.282360 10.55582       20.81280 
1 1 1 -7  15 20 o 429.2596 7.620162 5412.640       191.8380 5319.979       468.3972 5431.315       210.2837 423.2833 18.91608 429.9262 8.339907 -6.642944      20.67299 
1 1 1 -7  15 21 o 312.3822 7.047564 2866.253       129.1147 2225.574       345.9076 2969.966       139.1735 272.4990 21.82672 317.9516 7.463541 -45.45255      23.06751 
1 1 1 -7  15 22 o 149.5295 8.433997 659.4619       73.66256 712.4949       281.8897 655.5750       76.31424 150.1717 32.91682 149.0519 8.768806 1.119812       34.06478 
1 1 1 -7  15 23 o 213.0273 7.038435 1334.861       87.81429 1122.276       304.9139 1354.088       91.69947 190.7611 28.09484 214.5328 7.298868 -23.77165      29.02747 
1 1 1 -7  15 24 o 178.6986 12.69598 947.7640       132.1905 967.4239       315.1412 943.5662       145.6209 175.3520 31.81522 178.0597 14.05863 -2.707718      34.78295 
1 1 1 -7  15 25 o 383.5417 8.560075 4328.953       192.5487 4512.121       438.2907 4285.146       214.3403 388.3257 19.30543 381.3051 9.592364 7.020599       21.55721 
1 1 1 -7  15 26 o 216.7458 9.024390 1385.665       114.4637 1211.763       306.0799 1413.940       123.4188 198.0115 27.06443 218.8607 9.638943 -20.84920      28.72965 
1 1 1 -7  15 27 o 215.0212 9.533887 1364.795       119.9280 0.000000       0.000000 1364.795       119.9280 ?        ?        215.0212 9.533887 0.000000       9.533887 
1 1 1 -7  15 28 o 210.6704 8.087524 1307.749       99.73837 0.000000       0.000000 1307.749       99.73837 ?        ?        210.6704 8.087524 0.000000       8.087524 
1 1 1 -7  15 29 o 201.5014 10.74541 1201.008       126.5256 1952.485       386.9223 1111.029       133.8863 252.2875 26.54775 193.5998 11.84857 58.68765       29.07184 
1 1 1 -7  15 30 o 194.6093 8.766528 1117.317       99.79877 893.4910       359.8979 1135.962       103.8722 165.4600 37.90393 196.1906 9.051962 -30.73059      38.96981 
1 1 1 -7  15 31 o 226.3193 8.082334 1509.484       107.1053 1598.685       340.7718 1499.706       112.8229 227.8479 25.96440 225.5180 8.545780 2.329910       27.33460 
1 1 1 -7  15 32 o 366.1784 7.743628 3946.932       166.2982 3870.159       438.7428 3959.812       179.7075 357.7403 21.00422 366.6606 8.357018 -8.920319      22.60569 
1 1 1 -7  15 33 o 261.3704 7.744398 2013.717       118.5811 1884.504       349.5285 2030.523       126.0572 247.1552 24.43295 262.3769 8.202104 -15.22173      25.77292 
1 1 1 -7  15 34 o 357.5649 7.802022 3767.557       163.6111 3441.929       414.9250 3827.508       178.0364 335.9865 21.16457 360.2520 8.426590 -24.26541      22.78040 
1 1 1 -7  15 35 o 208.5341 7.663041 1283.466       93.55984 1200.731       124.0721 1392.527       142.4509 201.1038 10.55667 216.4322 11.26132 -15.32843      15.43569 
1 1 1 -7  15 36 o 182.6783 8.711356 988.0399       93.06151 965.5283       126.5639 1014.536       137.3095 179.7890 12.07316 184.1102 12.79628 -4.321167      17.59278 
1 1 1 -7  15 37 o 202.1377 10.73609 1217.136       126.8188 1223.456       150.5928 1201.724       235.1658 202.0126 12.77632 196.7854 20.68549 5.227234       24.31304 
1 1 1 -7  15 38 o 116.0637 12.59706 408.1416       84.37304 209.1125       118.4711 612.9898       120.1905 80.37153 23.59313 141.7840 14.66561 -61.41244      27.77977 
1 1 1 -7  15 39 o 176.8144 9.577942 933.4949       98.95002 904.3292       141.9983 961.0259       137.9619 172.1970 14.18642 177.9451 13.31630 -5.748154      19.45709 
1 1 1 -7  15 40 o 89.47263 18.21128 257.2466       92.30767 312.4833       142.5831 217.3916       121.1141 95.84863 25.07993 80.69873 23.89859 15.14989       34.64311 
1 1 1 -7  15 41 o 204.9631 8.617188 1253.261       103.3527 1161.581       140.1372 1362.599       153.0390 195.5966 12.27829 211.8468 12.37154 -16.25023      17.43019 
1 1 1 -7  15 42 o 72.81458 19.97688 175.8751       87.86833 127.6518       122.3662 227.2115       126.2542 65.42548 24.14843 81.28665 24.47913 -15.86118      34.38567 
1 1 1 -7  15 43 o 153.0525 11.26606 713.3604       100.4173 834.5137       147.6666 609.1385       136.9601 162.9041 15.64833 137.9561 17.30781 24.94800       23.33304 
1 1 1 -7  15 44 o 46.05522 19.56725 20.40733       92.17294 213.6240       143.4225 -115.5475      120.3074 77.75240 26.37943 40.01157 18.99196 37.74082       32.50491 
1 1 1 -7  15 45 o 88.77566 20.08627 268.1804       102.1272 368.4242       153.8435 189.1993       136.5564 100.1780 25.97181 73.47031 25.70607 26.70765       36.54226 
1 1 1 -7  15 46 o 87.87814 21.06835 268.5810       107.1737 326.2918       160.1744 221.7993       144.2122 92.32704 27.51860 77.63799 26.45030 14.68906       38.16925 
1 1 1 -7  15 47 o 53.05962 21.81298 60.60193       109.0352 92.39255       165.5644 36.25413       144.8930 62.62809 26.39804 55.17213 23.99520 7.455963       35.67389 
1 1 1 -7  15 48 o 175.8768 12.50263 964.1603       128.1208 698.9797       196.1114 1161.619       169.2272 137.9989 25.15794 190.4093 15.28238 -52.41035      29.43591 
1 1 1 -7  15 49 o 61.60082 23.99815 119.4737       124.8524 -160.4789      189.6671 333.5441       165.8548 48.12622 23.11479 90.89568 28.19084 -42.76946      36.45568 
1 1 1 -7  16 1  o 193.1296 24.62466 1118.268       272.5787 1118.268       272.5787 0.000000       0.000000 193.1296 24.62466 ?        ?        0.000000       24.62466 
1 1 1 -7  16 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  16 4  o 507.7639 10.88622 7570.181       324.1824 0.000000       0.000000 7570.181       324.1824 ?        ?        507.7639 10.88622 0.000000       10.88622 
1 1 1 -7  16 5  o 629.5189 13.10984 11642.99       484.0124 0.000000       0.000000 11642.99       484.0124 ?        ?        629.5189 13.10984 0.000000       13.10984 
1 1 1 -7  16 6  o 488.0742 10.62129 6994.300       304.0280 0.000000       0.000000 6994.300       304.0280 ?        ?        488.0742 10.62129 0.000000       10.62129 
1 1 1 -7  16 7  o 620.4078 11.18093 11303.22       406.8230 0.000000       0.000000 11303.22       406.8230 ?        ?        620.4078 11.18093 0.000000       11.18093 
1 1 1 -7  16 8  o 686.1927 12.03303 13831.26       484.2524 0.000000       0.000000 13831.26       484.2524 ?        ?        686.1927 12.03303 0.000000       12.03303 
1 1 1 -7  16 9  o 651.3499 11.62947 12461.63       444.2471 0.000000       0.000000 12461.63       444.2471 ?        ?        651.3499 11.62947 0.000000       11.62947 
1 1 1 -7  16 10 o 265.2749 8.030381 2067.144       124.7908 0.000000       0.000000 2067.144       124.7908 ?        ?        265.2749 8.030381 0.000000       8.030381 
1 1 1 -7  16 11 o 175.3722 11.33208 907.1809       115.9283 0.000000       0.000000 907.1809       115.9283 ?        ?        175.3722 11.33208 0.000000       11.33208 
1 1 1 -7  16 12 o 513.1597 11.05717 7735.409       332.7723 0.000000       0.000000 7735.409       332.7723 ?        ?        513.1597 11.05717 0.000000       11.05717 
1 1 1 -7  16 13 o 291.3693 7.667881 2493.481       130.9158 0.000000       0.000000 2493.481       130.9158 ?        ?        291.3693 7.667881 0.000000       7.667881 
1 1 1 -7  16 14 o 341.0801 10.21329 3420.608       204.0718 3930.558       487.0569 3312.022       224.7509 363.7578 22.94752 335.5019 11.43909 28.25595       25.64062 
1 1 1 -7  16 15 o 466.5524 8.288228 6391.378       226.7841 6823.537       609.3544 6321.895       244.3362 479.7385 21.71412 463.9562 8.979669 15.78226       23.49760 
1 1 1 -7  16 16 o 248.1940 8.585764 1811.337       124.7861 0.000000       0.000000 1811.337       124.7861 ?        ?        248.1940 8.585764 0.000000       8.585764 
1 1 1 -7  16 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  16 18 o 443.2669 7.909211 5771.222       205.6123 6029.747       528.4117 5725.095       223.2029 450.6458 20.04355 441.4235 8.621721 9.222351       21.81921 
1 1 1 -7  16 19 o 245.8957 6.901252 1776.950       99.42590 1669.546       308.6356 1789.387       105.0248 235.8035 22.59354 246.7261 7.266071 -10.92259      23.73318 
1 1 1 -7  16 20 o 405.7694 7.527285 4837.220       179.1299 4620.287       459.0652 4876.184       194.5526 393.8629 19.93856 407.3351 8.143942 -13.47220      21.53764 
1 1 1 -7  16 21 o 117.5576 9.924208 409.5786       67.78368 70.53497       298.5336 428.0078       69.60155 85.98129 35.78838 120.1865 9.963917 -34.20519      37.14954 
1 1 1 -7  16 22 o 69.92218 15.37833 150.2998       61.34464 180.9716       289.7131 148.8600       62.76787 93.59138 36.52903 69.54628 15.75546 24.04510       39.78196 
1 1 1 -7  16 23 o 354.5980 8.372053 3698.466       174.1080 3717.759       427.4941 3694.630       190.6351 352.1766 20.79005 354.1863 9.185169 -2.009735      22.72870 
1 1 1 -7  16 24 o 306.4355 8.749941 2765.885       157.0905 0.000000       0.000000 2765.885       157.0905 ?        ?        306.4355 8.749941 0.000000       8.749941 
1 1 1 -7  16 25 o 115.1218 10.39137 393.8552       69.40405 254.3223       302.7034 401.5974       71.30356 100.5430 37.80912 116.2294 10.57601 -15.68643      39.26043 
1 1 1 -7  16 26 o 134.7390 9.708010 537.6859       76.19962 656.1948       316.7374 530.4056       78.50530 141.9437 37.49520 133.7669 10.08109 8.176819       38.82677 
1 1 1 -7  16 27 o 469.0145 9.067883 6477.952       249.4266 0.000000       0.000000 6477.952       249.4266 ?        ?        469.0145 9.067883 0.000000       9.067883 
1 1 1 -7  16 28 o 361.2029 8.293794 3839.301       175.6932 0.000000       0.000000 3839.301       175.6932 ?        ?        361.2029 8.293794 0.000000       8.293794 
1 1 1 -7  16 29 o 289.2968 7.724187 2463.548       130.9357 3241.097       440.8558 2388.324       137.1232 327.1860 23.12374 284.7707 8.219015 42.41534       24.54097 
1 1 1 -7  16 30 o 309.9222 7.799179 2827.843       141.6469 3849.683       461.8219 2721.734       148.8197 356.8792 22.17449 303.9585 8.356181 52.92072       23.69670 
1 1 1 -7  16 31 o 221.7065 11.08637 1455.754       143.6938 0.000000       0.000000 1455.754       143.6938 ?        ?        221.7065 11.08637 0.000000       11.08637 
1 1 1 -7  16 32 o 52.03083 18.69213 69.40798       72.61752 -349.8139      320.7731 92.05331       74.55304 65.05025 30.91559 56.85121 19.01828 8.199043       36.29696 
1 1 1 -7  16 33 o 340.8669 7.723077 3422.906       154.3923 3616.874       439.4085 3395.587       164.9070 344.2518 21.87734 339.3860 8.285039 4.865753       23.39358 
1 1 1 -7  16 34 o 173.0456 12.03531 893.0084       121.3817 289.8564       315.1747 998.0483       131.5271 102.0620 38.53647 182.9105 12.33311 -80.84850      40.46190 
1 1 1 -7  16 35 o 142.7181 11.37909 608.0942       94.45567 616.0915       105.0839 574.4503       215.5356 143.3679 12.62669 132.8999 28.50776 10.46800       31.17893 
1 1 1 -7  16 36 o 113.4591 13.58860 389.9857       88.62366 505.6580       125.4865 274.8784       125.1797 128.3263 17.09878 92.49059 23.13739 35.83574       28.76990 
1 1 1 -7  16 37 o 226.7121 9.656874 1527.494       128.1049 1588.389       151.7799 1376.679       238.8612 230.6507 11.25439 210.9115 19.53242 19.73923       22.54278 
1 1 1 -7  16 38 o 85.18718 16.74799 228.7507       80.68945 131.5740       109.8788 342.4925       118.8757 66.49244 23.07175 103.3241 20.34180 -36.83162      30.75865 
1 1 1 -7  16 39 o 199.7235 9.249536 1190.180       108.0485 1161.216       161.5031 1213.647       145.3737 195.0109 14.21890 200.3109 12.43592 -5.299973      18.88993 
1 1 1 -7  16 40 o 47.02244 19.49221 28.33530       88.04518 -25.21596      129.4358 74.45192       120.1153 49.43657 22.03708 58.49189 23.30493 -9.055313      32.07417 
1 1 1 -7  16 41 o 110.8823 14.32462 382.1841       90.97836 334.3355       124.1819 437.6211       133.6667 100.0814 21.77734 115.6398 20.45736 -15.55842      29.87902 
1 1 1 -7  16 42 f 29.45391 14.52534 -180.6153      89.98183 -122.6265      132.6944 -229.9809      122.4314 42.38578 20.06804 34.67021 17.06796 7.715572       26.34467 
1 1 1 -7  16 43 o 38.51325 17.68126 -48.98282      90.97290 107.4502       141.5736 -159.0064      118.7302 63.79597 25.33931 37.22285 17.98076 26.57312       31.07070 
1 1 1 -7  16 44 o 67.33850 21.42743 153.0761       95.21845 95.94118       149.9673 191.6660       123.2488 62.79332 25.67175 74.11442 24.44246 -11.32110      35.44676 
1 1 1 -7  16 45 o 39.08891 18.13977 -61.71063      99.54710 -223.5569      156.0070 49.44633       129.2889 40.91890 19.95933 54.96256 23.25530 -14.04366      30.64611 
1 1 1 -7  16 46 o 146.7311 13.34141 674.2542       113.5546 564.3322       171.9780 759.2213       151.2016 125.5330 24.23727 152.6986 17.18166 -27.16560      29.70951 
1 1 1 -7  16 47 o 55.80185 22.39526 80.56778       111.7440 370.3957       184.0997 -88.49736      140.6080 95.37522 29.72037 44.83114 21.05041 50.54408       36.42005 
1 1 1 -7  16 48 o 53.48959 22.71482 49.77686       124.1085 75.43307       221.5940 38.05078       149.8091 65.31729 28.99166 55.56997 24.27957 9.747326       37.81553 
1 1 1 -7  17 1  o 553.7148 17.12311 9029.298       555.3887 9029.298       555.3887 0.000000       0.000000 553.7148 17.12311 ?        ?        0.000000       17.12311 
1 1 1 -7  17 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  17 4  o 718.6459 14.42670 15181.40       608.0406 0.000000       0.000000 15181.40       608.0406 ?        ?        718.6459 14.42670 0.000000       14.42670 
1 1 1 -7  17 5  o 641.7109 16.41927 12122.18       617.4287 0.000000       0.000000 12122.18       617.4287 ?        ?        641.7109 16.41927 0.000000       16.41927 
1 1 1 -7  17 6  f 180.2445 9.416117 956.3026       99.19176 0.000000       0.000000 956.3026       99.19176 ?        ?        180.2445 9.416117 0.000000       9.416117 
1 1 1 -7  17 7  o 373.9911 8.621147 4105.348       189.0936 0.000000       0.000000 4105.348       189.0936 ?        ?        373.9911 8.621147 0.000000       8.621147 
1 1 1 -7  17 8  o 206.7477 8.347574 1256.614       101.0084 0.000000       0.000000 1256.614       101.0084 ?        ?        206.7477 8.347574 0.000000       8.347574 
1 1 1 -7  17 9  o 277.3765 7.881790 2259.825       128.0868 0.000000       0.000000 2259.825       128.0868 ?        ?        277.3765 7.881790 0.000000       7.881790 
1 1 1 -7  17 10 f 302.2431 7.882215 2682.931       139.5997 0.000000       0.000000 2682.931       139.5997 ?        ?        302.2431 7.882215 0.000000       7.882215 
1 1 1 -7  17 11 o 687.7609 12.25470 13902.30       494.3000 0.000000       0.000000 13902.30       494.3000 ?        ?        687.7609 12.25470 0.000000       12.25470 
1 1 1 -7  17 12 o 202.4602 10.71244 1207.625       126.7449 0.000000       0.000000 1207.625       126.7449 ?        ?        202.4602 10.71244 0.000000       10.71244 
1 1 1 -7  17 13 o 401.4178 19.20258 4767.525       450.7600 0.000000       0.000000 4767.525       450.7600 ?        ?        401.4178 19.20258 0.000000       19.20258 
1 1 1 -7  17 14 o 738.6841 14.67156 16069.49       635.6024 0.000000       0.000000 16069.49       635.6024 ?        ?        738.6841 14.67156 0.000000       14.67156 
1 1 1 -7  17 15 o 382.3165 9.378222 4294.421       210.2781 0.000000       0.000000 4294.421       210.2781 ?        ?        382.3165 9.378222 0.000000       9.378222 
1 1 1 -7  17 16 o 301.7369 7.956832 2675.723       140.6825 3675.421       416.5730 2547.029       149.4636 351.7234 20.28078 294.3242 8.668272 57.39926       22.05559 
1 1 1 -7  17 17 o 303.0473 8.716753 2700.752       154.7619 0.000000       0.000000 2700.752       154.7619 ?        ?        303.0473 8.716753 0.000000       8.716753 
1 1 1 -7  17 18 o 279.1164 7.071746 2289.387       115.6678 2096.835       346.1743 2313.586       122.7211 264.4876 22.53148 280.5544 7.465132 -16.06686      23.73596 
1 1 1 -7  17 19 o 316.7437 7.030398 2946.811       130.5986 2745.961       394.7518 2971.497       138.3917 302.7028 22.39462 318.0378 7.419605 -15.33499      23.59173 
1 1 1 -7  17 20 o 70.57454 15.94579 153.2008       64.43925 -64.79514      315.8212 162.6705       65.82398 79.28288 34.92678 72.75896 15.87331 6.523918       38.36459 
1 1 1 -7  17 21 o 231.8100 8.771067 1582.823       119.0285 1669.029       354.5075 1571.870       126.3642 234.0226 26.28333 230.9350 9.349370 3.087601       27.89666 
1 1 1 -7  17 22 o 446.7020 8.003014 5867.583       209.6631 6104.443       554.8563 5828.130       226.4525 451.5038 21.01170 445.0899 8.675187 6.413879       22.73215 
1 1 1 -7  17 23 o 424.5004 7.708302 5299.055       191.9055 5436.349       501.6081 5275.514       207.7074 426.0479 20.13195 423.4510 8.363696 2.596924       21.80015 
1 1 1 -7  17 24 o 159.4271 10.42659 752.5002       96.95390 615.3510       310.2867 767.3396       102.0644 137.7516 37.43713 160.9308 10.87787 -23.17918      38.98547 
1 1 1 -7  17 25 o 265.6718 8.546745 2079.644       132.9938 2057.377       365.2056 2083.048       142.7989 259.9464 24.23461 265.7930 9.174503 -5.846558      25.91308 
1 1 1 -7  17 26 o 353.4002 7.471649 3672.905       154.8580 4076.365       442.4003 3616.567       165.3169 368.2907 20.56374 350.5994 8.039989 17.69128       22.07960 
1 1 1 -7  17 27 o 178.5639 8.468346 940.5208       88.43079 2002.009       380.4529 879.8972       90.92095 255.8307 25.70498 172.6312 9.011572 83.19949       27.23884 
1 1 1 -7  17 28 o 183.9968 10.51818 1001.598       113.0285 0.000000       0.000000 1001.598       113.0285 ?        ?        183.9968 10.51818 0.000000       10.51818 
1 1 1 -7  17 29 o 367.5604 8.010587 3975.382       172.6806 4084.989       518.6358 3961.717       183.1292 366.7408 24.24918 366.8464 8.511828 -0.1056519     25.69969 
1 1 1 -7  17 30 o 246.1790 7.906957 1785.537       114.0111 1965.098       427.6956 1771.801       118.2914 250.9737 29.62780 245.1799 8.238253 5.793777       30.75183 
1 1 1 -7  17 31 o 221.8329 11.00379 1457.901       142.7122 0.000000       0.000000 1457.901       142.7122 ?        ?        221.8329 11.00379 0.000000       11.00379 
1 1 1 -7  17 32 o 120.5638 11.48702 434.2084       80.24177 179.2949       347.6378 448.5540       82.46871 96.47326 39.21924 122.5317 11.61466 -26.05848      40.90292 
1 1 1 -7  17 33 o 248.3099 8.006725 1819.415       116.4478 1641.630       392.8297 1836.543       121.9281 226.6780 30.30789 249.4096 8.347423 -22.73161      31.43640 
1 1 1 -7  17 34 o 87.79177 15.94102 237.7914       79.05476 213.9504       363.3542 238.9760       80.99500 99.11414 40.16819 87.92603 16.30718 11.18810       43.35213 
1 1 1 -7  17 35 o 86.68532 16.46102 233.2181       80.62646 392.3607       349.2071 224.2569       82.86539 111.4451 40.85194 84.77073 17.25515 26.67435       44.34661 
1 1 1 -7  17 36 o 139.5187 11.03016 582.2367       89.51984 590.9919       125.6007 573.1972       127.6239 139.2151 15.65449 136.8912 16.21092 2.323883       22.53568 
1 1 1 -7  17 37 o 259.2325 7.614305 1988.381       115.6377 2040.286       160.9577 1933.012       166.2431 261.5434 10.51486 254.2862 11.17460 7.257202       15.34386 
1 1 1 -7  17 38 o 81.10061 17.53140 209.7982       80.95119 115.8805       106.1805 340.1574       125.0955 63.34402 22.62073 102.1527 21.55894 -38.80869      31.24876 
1 1 1 -7  17 39 o 101.1548 15.17928 319.1761       87.27474 249.3415       122.6589 390.7833       124.2059 86.20242 23.58369 109.9520 19.99790 -23.74953      30.92097 
1 1 1 -7  17 40 o 162.4836 9.978151 793.1633       94.62598 868.5442       129.5281 706.8887       138.5718 168.5762 13.20675 150.5902 15.93147 17.98599       20.69372 
1 1 1 -7  17 41 o 140.3465 12.30657 602.1839       100.2712 661.8167       139.9064 539.2008       143.7828 144.7404 16.79283 128.8166 19.65336 15.92377       25.85060 
1 1 1 -7  17 42 o 155.5112 11.69805 738.3523       105.9084 658.1026       153.7792 810.7596       146.0720 142.3964 18.87867 160.5242 15.71706 -18.12784      24.56482 
1 1 1 -7  17 43 f 51.87542 20.64750 60.93311       94.18909 264.1484       144.0356 -90.88943      124.4972 85.46661 26.23006 42.50390 19.90971 42.96272       32.93042 
1 1 1 -7  17 44 o 57.06817 20.77947 98.64226       90.12486 49.51435       129.6251 144.6139       125.3919 55.20176 23.31753 66.68750 24.47404 -11.48574      33.80363 
1 1 1 -7  17 45 o 158.9909 11.98610 780.6240       110.9406 727.9555       164.4978 824.5669       150.2552 147.6839 19.46576 160.1777 16.21797 -12.49384      25.33650 
1 1 1 -7  17 46 o 134.4287 15.19405 578.2751       117.6917 464.7233       188.2614 651.1224       150.7893 108.6669 29.00091 139.7164 18.88546 -31.04943      34.60800 
1 1 1 -7  17 47 o 58.57848 23.10060 98.42500       116.8844 320.0020       198.7683 -18.69449      144.5105 87.58958 30.98332 50.25940 22.76743 37.33019       38.44895 
1 1 1 -7  17 48 o 58.34587 23.64958 92.20747       125.9764 133.7652       212.0389 69.53601       156.6136 68.62675 29.43128 58.94688 25.28720 9.679878       38.80261 
1 1 1 -7  18 1  o 650.4250 13.29068 12432.95       506.9846 0.000000       0.000000 12432.95       506.9846 ?        ?        650.4250 13.29068 0.000000       13.29068 
1 1 1 -7  18 2  o 848.1014 16.53346 21164.53       822.3602 0.000000       0.000000 21164.53       822.3602 ?        ?        848.1014 16.53346 0.000000       16.53346 
1 1 1 -7  18 3  o 569.7871 11.80768 9537.096       394.5734 0.000000       0.000000 9537.096       394.5734 ?        ?        569.7871 11.80768 0.000000       11.80768 
1 1 1 -7  18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 5  o 392.1384 9.494476 4514.568       218.3539 0.000000       0.000000 4514.568       218.3539 ?        ?        392.1384 9.494476 0.000000       9.494476 
1 1 1 -7  18 6  o 104.0137 12.13201 322.1722       72.61921 0.000000       0.000000 322.1722       72.61921 ?        ?        104.0137 12.13201 0.000000       12.13201 
1 1 1 -7  18 7  f 189.9145 8.245212 1060.627       91.61665 0.000000       0.000000 1060.627       91.61665 ?        ?        189.9145 8.245212 0.000000       8.245212 
1 1 1 -7  18 8  o 242.5336 7.790612 1728.200       110.6701 0.000000       0.000000 1728.200       110.6701 ?        ?        242.5336 7.790612 0.000000       7.790612 
1 1 1 -7  18 9  o 371.7037 8.195835 4055.685       178.6655 0.000000       0.000000 4055.685       178.6655 ?        ?        371.7037 8.195835 0.000000       8.195835 
1 1 1 -7  18 10 o 173.2455 33.24521 924.8905       325.5047 0.000000       0.000000 924.8905       325.5047 ?        ?        173.2455 33.24521 0.000000       33.24521 
1 1 1 -7  18 11 o 331.4056 10.01425 3229.345       194.4153 0.000000       0.000000 3229.345       194.4153 ?        ?        331.4056 10.01425 0.000000       10.01425 
1 1 1 -7  18 12 f 456.5392 19.93559 6170.557       532.4875 0.000000       0.000000 6170.557       532.4875 ?        ?        456.5392 19.93559 0.000000       19.93559 
1 1 1 -7  18 13 o 303.5513 19.26658 2733.794       341.2246 0.000000       0.000000 2733.794       341.2246 ?        ?        303.5513 19.26658 0.000000       19.26658 
1 1 1 -7  18 14 o 303.2553 8.633230 2703.521       153.3875 0.000000       0.000000 2703.521       153.3875 ?        ?        303.2553 8.633230 0.000000       8.633230 
1 1 1 -7  18 15 o 363.9029 9.129697 3893.782       194.6925 0.000000       0.000000 3893.782       194.6925 ?        ?        363.9029 9.129697 0.000000       9.129697 
1 1 1 -7  18 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  18 17 o 353.7628 7.863230 3676.790       163.1412 0.000000       0.000000 3676.790       163.1412 ?        ?        353.7628 7.863230 0.000000       7.863230 
1 1 1 -7  18 18 f 391.2179 8.283998 4498.509       190.0681 0.000000       0.000000 4498.509       190.0681 ?        ?        391.2179 8.283998 0.000000       8.283998 
1 1 1 -7  18 19 o 144.2892 9.401268 615.0784       79.12238 -56.34835      348.3296 651.6061       81.24614 83.89413 36.82872 148.5323 9.374589 -64.63822      38.00312 
1 1 1 -7  18 20 o 351.6710 7.411446 3634.543       152.8586 3727.447       455.7495 3622.768       162.2573 352.4184 22.16266 351.0504 7.881054 1.368011       23.52221 
1 1 1 -7  18 21 o 411.6682 9.665469 4989.642       233.3570 0.000000       0.000000 4989.642       233.3570 ?        ?        411.6682 9.665469 0.000000       9.665469 
1 1 1 -7  18 22 o 345.6790 7.337985 3512.932       148.7648 3128.322       405.7525 3572.663       159.8997 322.4203 21.58225 348.5451 7.822369 -26.12482      22.95611 
1 1 1 -7  18 23 o 169.8810 13.63728 859.4048       134.7294 1168.990       320.5939 793.0015       148.4772 193.7626 29.11122 162.7165 15.75577 31.04611       33.10147 
1 1 1 -7  18 24 o 205.5959 9.843958 1248.506       118.3508 1166.699       359.4886 1258.450       125.3379 191.8128 33.15530 206.3303 10.39129 -14.51752      34.74554 
1 1 1 -7  18 25 o 237.3243 7.492455 1658.053       104.1532 1787.878       387.2602 1647.930       108.1375 240.6721 27.95596 236.5588 7.805162 4.113281       29.02509 
1 1 1 -7  18 26 o 167.8304 9.100845 831.8921       89.24319 1189.403       360.1193 808.4999       92.11657 193.8416 32.84916 165.3886 9.537344 28.45299       34.20567 
1 1 1 -7  18 27 o 234.3600 8.064163 1617.864       110.6740 2279.938       460.7140 1577.318       114.0126 271.5138 29.40127 231.3545 8.416834 40.15930       30.58231 
1 1 1 -7  18 28 o 200.9872 8.887959 1191.826       104.5071 0.000000       0.000000 1191.826       104.5071 ?        ?        200.9872 8.887959 0.000000       8.887959 
1 1 1 -7  18 29 o 393.6978 8.038827 4561.980       185.6121 6311.095       578.9444 4361.597       195.9560 457.3430 21.64605 384.8359 8.682252 72.50702       23.32237 
1 1 1 -7  18 30 o 63.38277 19.06927 121.8209       76.64302 0.000000       0.000000 121.8209       76.64302 ?        ?        63.38277 19.06927 0.000000       19.06927 
1 1 1 -7  18 31 o 147.2382 12.84048 647.9199       109.7716 -281.9356      419.8928 716.1323       113.7267 79.70761 37.07991 154.8942 12.62870 -75.18658      39.17146 
1 1 1 -7  18 32 o 170.6317 9.320868 862.1790       92.92104 1087.371       419.2458 850.5453       95.29102 178.1355 40.98304 169.4173 9.630214 8.718124       42.09930 
1 1 1 -7  18 33 o 46.70021 18.37414 39.63319       73.79761 342.9010       360.7339 26.38661       75.39210 108.9811 41.21015 44.92603 18.26398 64.05511       45.07604 
1 1 1 -7  18 34 o 76.16697 17.88461 181.9760       78.51745 -41.58041      362.6421 192.9715       80.42519 82.94744 36.93631 78.45689 17.87849 4.490555       41.03573 
1 1 1 -7  18 35 o 144.8356 10.66689 625.9691       89.97175 292.3760       378.7451 645.9200       92.62311 104.0930 41.41279 147.1031 10.81164 -43.01009      42.80082 
1 1 1 -7  18 36 o 115.5281 14.43926 407.5925       95.70215 383.3220       106.7178 507.2838       216.2853 111.1817 16.89758 122.2510 30.31614 -11.06931      34.70730 
1 1 1 -7  18 37 o 99.23828 18.41111 312.3105       103.2100 216.2236       113.6633 763.7988       246.3834 81.30251 22.87871 150.0400 29.04960 -68.73752      36.97722 
1 1 1 -7  18 38 o 54.88002 19.23055 86.69008       76.44102 35.84848       101.6566 152.8424       115.9574 50.84357 20.99813 69.88109 23.71941 -19.03752      31.67858 
1 1 1 -7  18 39 o 177.1517 9.389250 939.2168       97.20150 951.0518       132.6625 925.4987       142.8269 176.7108 12.88937 173.6544 14.14651 3.056381       19.13791 
1 1 1 -7  18 40 o 148.6609 11.84163 672.0757       102.3899 552.3312       127.1326 893.1292       172.7339 132.3201 16.75777 167.9537 17.80728 -35.63358      24.45244 
1 1 1 -7  18 41 o 124.9282 13.72297 484.1811       98.89130 562.4730       145.4386 416.8584       134.8659 131.3661 19.46572 111.6381 21.37687 19.72794       28.91167 
1 1 1 -7  18 42 o 129.2353 13.63059 519.2172       101.7566 484.0590       148.5576 550.2922       139.6649 119.6152 21.98667 129.8828 18.88832 -10.26761      28.98590 
1 1 1 -7  18 43 o 35.05262 16.61771 -91.61398      91.55840 -80.42879      133.2883 -101.6072      125.9863 44.80078 20.85814 41.97824 19.77767 2.822536       28.74401 
1 1 1 -7  18 44 o 133.1882 13.33539 554.2624       102.7656 546.1530       143.8927 562.7047       146.8163 127.6961 19.85889 129.5645 19.96147 -1.868408      28.15734 
1 1 1 -7  18 45 o 54.67640 21.81053 75.12966       105.3280 104.4553       165.8051 55.28875       136.3813 64.14195 26.68252 56.17839 23.83221 7.963562       35.77613 
1 1 1 -7  18 46 o 168.0511 13.07681 884.0357       127.8686 876.2981       209.7821 888.6099       161.2950 157.0565 23.49609 165.0966 16.89641 -8.040176      28.94054 
1 1 1 -7  18 47 o 48.52035 21.76399 -8.825950      128.3660 -27.37929      213.7923 1.633372       160.5213 58.21704 26.86387 53.95896 24.25965 4.258076       36.19666 
1 1 1 -7  19 1  o 468.7502 10.25367 6452.643       281.8847 0.000000       0.000000 6452.643       281.8847 ?        ?        468.7502 10.25367 0.000000       10.25367 
1 1 1 -7  19 2  o 618.2033 12.59683 11231.71       456.7129 0.000000       0.000000 11231.71       456.7129 ?        ?        618.2033 12.59683 0.000000       12.59683 
1 1 1 -7  19 3  o 850.4101 16.84630 21292.16       840.2014 20397.16       1011.923 23278.67       1507.589 831.4844 20.75119 885.2360 29.07790 -53.75159      35.72305 
1 1 1 -7  19 4  o 937.7437 18.58990 25915.47       1022.378 25732.96       1276.147 26242.54       1708.318 933.1028 23.31958 938.9662 31.06465 -5.863403      38.84348 
1 1 1 -7  19 5  f 457.8062 16.78057 6179.900       449.7832 0.000000       0.000000 6179.900       449.7832 ?        ?        457.8062 16.78057 0.000000       16.78057 
1 1 1 -7  19 6  o 402.5710 9.271260 4758.662       218.8930 0.000000       0.000000 4758.662       218.8930 ?        ?        402.5710 9.271260 0.000000       9.271260 
1 1 1 -7  19 7  o 656.4593 13.41532 12673.84       516.4868 0.000000       0.000000 12673.84       516.4868 ?        ?        656.4593 13.41532 0.000000       13.41532 
1 1 1 -7  19 8  o 306.8085 7.832216 2765.009       140.8145 0.000000       0.000000 2765.009       140.8145 ?        ?        306.8085 7.832216 0.000000       7.832216 
1 1 1 -7  19 9  o 88.32738 13.54093 234.8040       67.91124 0.000000       0.000000 234.8040       67.91124 ?        ?        88.32738 13.54093 0.000000       13.54093 
1 1 1 -7  19 10 o 386.3893 8.390789 4383.984       190.1422 0.000000       0.000000 4383.984       190.1422 ?        ?        386.3893 8.390789 0.000000       8.390789 
1 1 1 -7  19 11 o 632.9409 11.25935 11778.72       417.9525 0.000000       0.000000 11778.72       417.9525 ?        ?        632.9409 11.25935 0.000000       11.25935 
1 1 1 -7  19 12 o 233.1609 8.002346 1598.332       109.2646 0.000000       0.000000 1598.332       109.2646 ?        ?        233.1609 8.002346 0.000000       8.002346 
1 1 1 -7  19 13 o 140.5169 9.939998 583.2696       81.38669 0.000000       0.000000 583.2696       81.38669 ?        ?        140.5169 9.939998 0.000000       9.939998 
1 1 1 -7  19 14 o 292.2426 7.765138 2510.195       132.9714 0.000000       0.000000 2510.195       132.9714 ?        ?        292.2426 7.765138 0.000000       7.765138 
1 1 1 -7  19 15 o 419.1834 12.50637 5180.617       307.1141 0.000000       0.000000 5180.617       307.1141 ?        ?        419.1834 12.50637 0.000000       12.50637 
1 1 1 -7  19 16 o 403.8549 8.523623 4793.765       201.8832 0.000000       0.000000 4793.765       201.8832 ?        ?        403.8549 8.523623 0.000000       8.523623 
1 1 1 -7  19 17 o 197.0693 8.201304 1143.467       94.58063 0.000000       0.000000 1143.467       94.58063 ?        ?        197.0693 8.201304 0.000000       8.201304 
1 1 1 -7  19 18 o 187.8873 7.816293 1039.350       85.94078 2165.098       403.1186 985.7483       87.96298 267.1513 26.06005 182.9300 8.220067 84.22131       27.32574 
1 1 1 -7  19 19 o 351.5310 7.444736 3631.829       153.4841 4300.796       480.4776 3555.809       161.9703 378.7672 21.72076 347.7786 7.941127 30.98868       23.12689 
1 1 1 -7  19 20 o 60.23595 17.52963 109.9587       65.64969 430.6047       356.4244 98.69846       66.79247 120.4501 41.56536 57.70905 17.88852 62.74102       45.25129 
1 1 1 -7  19 21 o 106.0091 11.55864 335.4796       70.69947 -198.4607      339.7781 359.6429       72.28151 74.87640 34.29922 109.8306 11.38657 -34.95420      36.13988 
1 1 1 -7  19 22 o 546.2998 9.098186 8787.467       291.4985 9012.134       704.7977 8741.105       320.1653 547.4283 21.99743 544.6185 10.02378 2.809753       24.17360 
1 1 1 -7  19 23 f 325.7658 7.352908 3120.615       140.4802 3136.841       427.8952 3118.655       148.7237 322.0385 22.80326 325.6084 7.788147 -3.569885      24.09655 
1 1 1 -7  19 24 o 226.4001 13.25519 1521.819       175.2302 1495.097       386.7576 1528.721       196.5627 218.5540 31.04620 226.5543 14.87605 -8.000381      34.42620 
1 1 1 -7  19 25 o 476.1028 8.542626 6671.976       238.5298 7082.797       636.0941 6604.754       257.3058 484.7299 22.43627 473.5417 9.264902 11.18814       24.27395 
1 1 1 -7  19 26 o 243.7390 8.012437 1749.695       114.3798 2037.549       443.2568 1729.160       118.3893 256.2225 30.06919 242.2582 8.345117 13.96426       31.20572 
1 1 1 -7  19 27 o 343.7754 7.969247 3477.152       160.6729 3182.901       515.8455 3508.766       169.0841 322.0222 27.57916 345.2782 8.349934 -23.25595      28.81547 
1 1 1 -7  19 28 o 308.4672 8.185865 2802.699       147.9585 0.000000       0.000000 2802.699       147.9585 ?        ?        308.4672 8.185865 0.000000       8.185865 
1 1 1 -7  19 29 o 445.6068 8.463283 5848.629       221.1776 6419.265       608.4749 5761.753       237.4179 460.1143 22.61827 442.1179 9.156404 17.99646       24.40135 
1 1 1 -7  19 30 o 266.8923 8.107764 2100.168       126.7605 2129.524       431.3330 2097.393       132.6165 260.8903 28.66208 266.6458 8.491146 -5.755554      29.89338 
1 1 1 -7  19 31 o 60.87509 19.53321 109.8346       79.00035 899.5581       433.3936 82.69245       80.34647 160.2687 44.52096 55.66603 19.69798 104.6026       48.68394 
1 1 1 -7  19 32 o 287.8021 8.193973 2444.646       138.1646 2835.822       481.5653 2409.557       144.2282 300.3879 27.64504 285.6294 8.619733 14.75851       28.95770 
1 1 1 -7  19 33 o 219.9932 8.470250 1430.556       109.0797 1015.891       421.9046 1460.260       112.9189 169.6563 42.49749 222.2244 8.680815 -52.56816      43.37503 
1 1 1 -7  19 34 o 141.4382 10.92026 597.2481       89.88277 941.9059       407.5675 579.6285       92.15163 161.7567 42.43995 139.2160 11.38598 22.54073       43.94075 
1 1 1 -7  19 35 o 111.5777 13.36957 377.8317       85.74750 -132.1964      428.4941 399.1081       87.51775 83.63050 38.38662 114.7504 13.24735 -31.11990      40.60819 
1 1 1 -7  19 36 o 144.2332 14.57541 634.7809       121.6025 568.1730       397.5007 641.6581       127.7260 122.3271 43.75817 144.7468 15.27609 -22.41965      46.34799 
1 1 1 -7  19 37 o 35.44294 16.35753 -55.57180      79.31244 -95.99799      112.5681 -15.71986      111.7657 40.51575 18.96337 47.14352 20.77252 -6.627766      28.12663 
1 1 1 -7  19 38 o 87.36478 16.84575 242.9514       83.18469 240.9958       116.0705 245.0166       119.2769 84.91161 22.82080 85.49841 23.20087 -0.5868073     32.54335 
1 1 1 -7  19 39 o 143.8446 11.29364 626.6937       94.51125 829.0831       133.7009 424.5572       133.6173 164.2281 14.01530 113.8709 20.77298 50.35725       25.05884 
1 1 1 -7  19 40 o 62.33005 21.00454 122.6591       90.92606 184.2672       130.8910 65.20247       126.4041 74.33405 25.20084 57.64811 23.56860 16.68594       34.50451 
1 1 1 -7  19 41 o 49.27940 19.97920 46.22172       89.93163 120.1778       133.3948 -15.40054      121.7645 64.78092 24.92218 48.13095 21.41962 16.64997       32.86206 
1 1 1 -7  19 42 o 51.98886 20.50149 63.91566       92.06021 80.03167       132.8403 49.02334       127.6975 59.40055 24.20804 55.25590 23.23084 4.144653       33.55147 
1 1 1 -7  19 43 o 42.83725 19.07573 -14.63022      96.72905 193.1388       139.6107 -206.4467      134.1440 74.13156 25.98797 37.74070 18.43060 36.39086       31.86003 
1 1 1 -7  19 44 o 71.24308 22.28207 177.7197       103.3796 120.1477       151.9134 227.3787       141.0877 64.81545 26.07759 78.56577 26.16017 -13.75032      36.93773 
1 1 1 -7  19 45 o 60.36585 22.70794 113.2092       109.2086 184.8399       162.9150 54.75451       147.1708 72.48679 27.62790 57.26029 24.53736 15.22650       36.95109 
1 1 1 -7  19 46 o 56.74311 23.13841 80.38739       121.4453 23.90684       187.2349 121.4073       159.5638 58.78333 26.33253 64.66743 26.46413 -5.884102      37.33299 
1 1 1 -7  19 47 o 93.93920 23.26776 322.9716       127.5168 266.5989       195.1573 364.9700       168.4483 80.91008 30.37285 95.44286 28.16361 -14.53278      41.42099 
1 1 1 -7  20 1  o 329.6474 15.29891 3205.638       294.9678 3205.638       294.9678 0.000000       0.000000 329.6474 15.29891 ?        ?        0.000000       15.29891 
1 1 1 -7  20 2  o 422.5482 9.670431 5243.832       239.6473 0.000000       0.000000 5243.832       239.6473 ?        ?        422.5482 9.670431 0.000000       9.670431 
1 1 1 -7  20 3  o 728.8342 14.85971 15635.07       635.1694 15209.48       782.3125 16458.30       1088.031 717.8525 18.59775 744.8533 24.94209 -27.00079      31.11245 
1 1 1 -7  20 4  o 680.2881 14.34105 13619.28       572.1689 13622.26       732.2218 13614.61       916.9197 679.3388 18.39525 677.8699 23.09773 1.468872       29.52779 
1 1 1 -7  20 5  o 153.3004 11.94825 695.0616       106.5754 560.1161       291.6193 715.8635       114.4954 134.3554 36.20004 155.5110 12.66335 -21.15561      38.35106 
1 1 1 -7  20 6  o 75.37511 16.35548 173.8780       70.21895 0.000000       0.000000 173.8780       70.21895 ?        ?        75.37511 16.35548 0.000000       16.35548 
1 1 1 -7  20 7  o 355.6436 8.858061 3714.609       184.7584 0.000000       0.000000 3714.609       184.7584 ?        ?        355.6436 8.858061 0.000000       8.858061 
1 1 1 -7  20 8  o 283.2051 7.798111 2356.618       129.3980 0.000000       0.000000 2356.618       129.3980 ?        ?        283.2051 7.798111 0.000000       7.798111 
1 1 1 -7  20 9  o 268.9363 7.859776 2125.525       123.8352 0.000000       0.000000 2125.525       123.8352 ?        ?        268.9363 7.859776 0.000000       7.859776 
1 1 1 -7  20 10 o 246.3535 10.10655 1786.797       145.7100 0.000000       0.000000 1786.797       145.7100 ?        ?        246.3535 10.10655 0.000000       10.10655 
1 1 1 -7  20 11 o 737.1890 12.51315 15996.75       540.9985 0.000000       0.000000 15996.75       540.9985 ?        ?        737.1890 12.51315 0.000000       12.51315 
1 1 1 -7  20 12 o 205.5831 24.58672 1275.981       290.5701 0.000000       0.000000 1275.981       290.5701 ?        ?        205.5831 24.58672 0.000000       24.58672 
1 1 1 -7  20 13 o 111.0915 35.35828 370.2997       259.2639 0.000000       0.000000 370.2997       259.2639 ?        ?        111.0915 35.35828 0.000000       35.35828 
1 1 1 -7  20 14 o 354.1403 9.390572 3690.220       194.8653 0.000000       0.000000 3690.220       194.8653 ?        ?        354.1403 9.390572 0.000000       9.390572 
1 1 1 -7  20 15 o 256.2388 9.956120 1934.626       149.3338 0.000000       0.000000 1934.626       149.3338 ?        ?        256.2388 9.956120 0.000000       9.956120 
1 1 1 -7  20 16 o 246.4825 10.08339 1791.039       145.4539 0.000000       0.000000 1791.039       145.4539 ?        ?        246.4825 10.08339 0.000000       10.08339 
1 1 1 -7  20 17 o 171.1528 12.04275 868.0117       120.1100 0.000000       0.000000 868.0117       120.1100 ?        ?        171.1528 12.04275 0.000000       12.04275 
1 1 1 -7  20 18 o 129.1140 18.83838 505.9494       138.4477 0.000000       0.000000 505.9494       138.4477 ?        ?        129.1140 18.83838 0.000000       18.83838 
1 1 1 -7  20 19 o 259.8799 7.741350 1987.499       117.8570 0.000000       0.000000 1987.499       117.8570 ?        ?        259.8799 7.741350 0.000000       7.741350 
1 1 1 -7  20 20 o 165.0864 8.451196 803.9874       81.55159 669.7933       341.3777 812.1091       83.98318 143.4610 39.38251 165.8954 8.661925 -22.43445      40.32383 
1 1 1 -7  20 21 o 194.7615 7.943358 1117.647       90.54105 892.8864       360.2039 1132.806       93.54443 165.7226 37.88844 196.0551 8.153391 -30.33244      38.75579 
1 1 1 -7  20 22 o 320.6004 7.437076 3022.636       139.8353 3042.476       439.3191 3020.400       147.5071 316.6895 23.82830 320.4298 7.849276 -3.740326      25.08782 
1 1 1 -7  20 23 o 208.3690 8.154809 1279.508       99.46223 1235.350       412.6051 1282.233       102.4845 195.6238 37.32498 208.5602 8.395849 -12.93636      38.25760 
1 1 1 -7  20 24 o 223.9735 10.18899 1481.892       133.4872 851.2018       426.4300 1550.408       140.5510 159.7722 44.07742 229.0531 10.49063 -69.28098      45.30864 
1 1 1 -7  20 25 o 134.3929 11.73702 537.3398       91.58183 81.10089       464.7469 555.7721       93.41349 102.7700 43.80982 136.6904 11.76697 -33.92047      45.36256 
1 1 1 -7  20 26 o 113.3555 13.45137 385.5479       87.68382 232.7004       487.7679 390.6522       89.13588 113.2086 46.29237 114.0872 13.58861 -0.8786621     48.24556 
1 1 1 -7  20 27 o 511.3475 9.078163 7702.745       272.2480 9136.353       755.3731 7488.719       291.8635 549.3250 23.50100 503.9821 9.874478 45.34290       25.49122 
1 1 1 -7  20 28 o 204.6327 8.593975 1235.618       102.9086 1269.364       404.6382 1233.284       106.4074 197.8306 36.20965 204.3932 8.898082 -6.562653      37.28693 
1 1 1 -7  20 29 o 328.5546 10.39813 3191.643       200.1087 0.000000       0.000000 3191.643       200.1087 ?        ?        328.5546 10.39813 0.000000       10.39813 
1 1 1 -7  20 30 o 201.1398 8.768687 1195.547       103.1902 1792.937       439.1689 1160.638       106.1624 236.2310 32.56429 198.1058 9.162220 38.12523       33.82868 
1 1 1 -7  20 31 o 168.0388 9.738892 837.2709       95.56628 872.2811       416.5453 835.3257       98.18527 157.5367 43.60337 167.7880 10.02349 -10.25133      44.74063 
1 1 1 -7  20 32 o 38.00752 18.02834 -125.2425      108.0461 0.000000       0.000000 -125.2425      108.0461 ?        ?        38.00752 18.02834 0.000000       18.02834 
1 1 1 -7  20 33 o 165.1838 10.07922 811.1301       97.17908 848.0389       437.9276 809.2184       99.66392 152.1438 45.53893 164.9262 10.35608 -12.78238      46.70163 
1 1 1 -7  20 34 o 128.1411 12.13468 493.7314       90.10773 7.489062       427.5858 516.3287       92.17776 90.23873 40.14994 131.0662 12.12938 -40.82751      41.94210 
1 1 1 -7  20 35 o 193.4827 9.089454 1112.616       102.8525 917.8670       430.1563 1124.426       105.9250 153.2999 44.94429 194.4438 9.315773 -41.14381      45.89960 
1 1 1 -7  20 36 o 62.58878 19.03837 123.3124       76.10055 363.2711       430.8555 115.5854       77.31612 105.8242 43.41706 61.00360 19.29589 44.82059       47.51181 
1 1 1 -7  20 37 o 37.94931 17.06460 -30.28410      79.46133 -40.10556      111.5779 -20.17679      113.1900 44.67167 20.14258 46.86050 20.76410 -2.188835      28.92873 
1 1 1 -7  20 38 o 57.10925 19.90462 96.63207       81.82865 -20.07620      115.4119 214.6079       116.0370 47.11435 20.91686 79.96310 23.31525 -32.84875      31.32277 
1 1 1 -7  20 39 o 124.2922 12.01313 471.7609       86.47887 500.4741       117.5986 437.9490       127.6135 126.0426 16.28922 116.1491 19.41902 9.893517       25.34634 
1 1 1 -7  20 40 o 89.70238 18.36194 263.6829       93.34322 339.9031       131.9284 187.2800       132.0863 99.47011 23.06430 74.40649 25.31449 25.06362       34.24596 
1 1 1 -7  20 41 o 62.62503 21.05736 126.7641       91.38581 82.57708       133.6442 165.5701       125.2426 59.96910 24.33996 70.49268 24.62138 -10.52357      34.62147 
1 1 1 -7  20 42 o 148.5631 11.90342 678.3952       102.8459 704.1569       149.0323 654.9722       142.1068 147.5424 17.56779 142.3866 17.37705 5.155792       24.71011 
1 1 1 -7  20 43 o 126.1411 14.26248 502.1651       103.6634 532.8070       147.2160 472.0288       145.9961 125.3555 20.74976 116.7937 22.12401 8.561722       30.33190 
1 1 1 -7  20 44 o 67.84785 22.40576 159.5646       103.5533 41.98490       150.3224 265.7537       142.8557 56.59821 24.52917 84.16306 26.17315 -27.56485      35.87079 
1 1 1 -7  20 45 o 70.96853 23.32327 180.2136       112.2565 155.5482       167.0443 200.5258       151.5882 68.92207 27.47562 73.88058 26.94186 -4.958511      38.48082 
1 1 1 -7  20 46 o 99.20370 22.54796 353.1358       128.2000 402.8674       192.6090 313.5795       171.7783 98.46655 30.35249 88.18832 28.84409 10.27823       41.87189 
1 1 1 -7  21 1  f 433.4198 9.785405 5518.990       248.7357 0.000000       0.000000 5518.990       248.7357 ?        ?        433.4198 9.785405 0.000000       9.785405 
1 1 1 -7  21 2  o 298.9256 8.578589 2626.269       150.2381 0.000000       0.000000 2626.269       150.2381 ?        ?        298.9256 8.578589 0.000000       8.578589 
1 1 1 -7  21 3  o 500.3477 10.77264 7358.406       316.1147 0.000000       0.000000 7358.406       316.1147 ?        ?        500.3477 10.77264 0.000000       10.77264 
1 1 1 -7  21 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  21 5  o 549.0115 9.585071 8855.859       308.6223 8579.432       520.7061 9005.553       383.1801 539.0995 16.48861 553.3532 11.80728 -14.25372      20.28019 
1 1 1 -7  21 6  o 566.7400 12.09594 9448.981       402.0443 0.000000       0.000000 9448.981       402.0443 ?        ?        566.7400 12.09594 0.000000       12.09594 
1 1 1 -7  21 7  f 323.2749 8.570332 3071.831       162.3442 0.000000       0.000000 3071.831       162.3442 ?        ?        323.2749 8.570332 0.000000       8.570332 
1 1 1 -7  21 8  o 458.0442 10.77760 6169.374       289.5208 0.000000       0.000000 6169.374       289.5208 ?        ?        458.0442 10.77760 0.000000       10.77760 
1 1 1 -7  21 9  o 482.0419 11.07529 6834.940       313.1052 0.000000       0.000000 6834.940       313.1052 ?        ?        482.0419 11.07529 0.000000       11.07529 
1 1 1 -7  21 10 o 395.1331 10.35110 4594.636       239.6660 0.000000       0.000000 4594.636       239.6660 ?        ?        395.1331 10.35110 0.000000       10.35110 
1 1 1 -7  21 11 o 285.6866 6.810727 2396.504       114.1127 2525.430       168.2618 2286.707       155.2784 292.8987 9.809133 278.7284 9.512972 14.17032       13.66440 
1 1 1 -7  21 12 o 404.1016 7.537766 4796.883       178.6421 4866.314       270.6466 4743.281       237.8040 406.4080 11.36623 401.4323 10.10885 4.975677       15.21118 
1 1 1 -7  21 13 o 224.4077 6.964718 1480.496       91.55158 1659.548       129.8352 1303.425       129.1148 237.3703 9.344688 210.1877 10.50745 27.18263       14.06164 
1 1 1 -7  21 14 f 292.4456 9.038823 2517.546       154.8409 2659.669       176.3197 2038.486       323.7151 300.4648 10.01993 260.7300 21.35703 39.73483       23.59071 
1 1 1 -7  21 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  21 16 o 351.7579 7.070938 3635.628       145.8718 3685.224       220.1813 3596.830       194.7411 353.5453 10.63111 349.4648 9.510592 4.080475       14.26435 
1 1 1 -7  21 17 o 185.6844 7.526342 1015.143       81.79166 981.5024       109.3005 1057.956       123.3030 182.2566 10.26710 189.1163 11.16687 -6.859665      15.16946 
1 1 1 -7  21 18 o 342.4041 7.032554 3445.741       141.2221 3531.906       213.2031 3378.383       188.5058 346.0175 10.51840 338.5931 9.502234 7.424347       14.17495 
1 1 1 -7  21 19 o 352.2357 8.042202 3649.626       166.1341 3676.588       226.5976 3618.286       244.2979 352.8941 10.96194 349.8663 11.92346 3.027832       16.19670 
1 1 1 -7  21 20 o 547.2773 11.65558 8842.911       374.1036 0.000000       0.000000 8842.911       374.1036 ?        ?        547.2773 11.65558 0.000000       11.65558 
1 1 1 -7  21 21 o 166.1994 12.20770 820.5082       118.1607 1221.543       375.1837 776.3506       124.4961 196.0616 33.85211 161.4508 13.26505 34.61082       36.35831 
1 1 1 -7  21 22 o 146.0583 10.16456 631.9122       86.52602 437.7411       394.7647 641.7112       88.68246 121.9880 43.61069 147.1661 10.34076 -25.17806      44.81991 
1 1 1 -7  21 23 o 77.97517 23.87411 184.5021       119.4130 134.7110       451.0478 188.2550       123.8315 104.5596 43.79021 78.84725 24.34295 25.71238       50.10151 
1 1 1 -7  21 24 o 164.4800 13.89156 806.6882       132.7514 553.6987       500.1038 825.8657       137.6910 135.6079 49.00970 166.3661 14.24914 -30.75819      51.03909 
1 1 1 -7  21 25 o 199.0722 9.153709 1169.648       106.5846 1150.062       544.8942 1170.427       108.6841 183.2067 49.53520 199.1132 9.333089 -15.90652      50.40677 
1 1 1 -7  21 26 o 63.27882 20.03574 118.5424       83.33996 -528.2222      485.2735 138.1978       84.59685 79.38686 37.81296 67.38189 19.97809 12.00497       42.76616 
1 1 1 -7  21 27 o 336.5878 8.089212 3335.365       159.6817 3811.015       532.1636 3288.301       167.3953 352.5345 25.92031 334.0189 8.552223 18.51559       27.29474 
1 1 1 -7  21 28 o 289.6738 8.528520 2474.607       144.7305 0.000000       0.000000 2474.607       144.7305 ?        ?        289.6738 8.528520 0.000000       8.528520 
1 1 1 -7  21 29 o 200.2413 9.374450 1186.098       109.7849 0.000000       0.000000 1186.098       109.7849 ?        ?        200.2413 9.374450 0.000000       9.374450 
1 1 1 -7  21 30 o 129.0152 11.67534 497.4254       87.38545 1089.504       437.9536 472.8758       89.17870 176.9780 42.69125 125.6433 12.25811 51.33472       44.41626 
1 1 1 -7  21 31 o 133.1741 11.46168 529.8266       88.64963 477.9088       421.2342 532.2326       90.68050 122.0998 44.84941 133.4255 11.70694 -11.32576      46.35215 
1 1 1 -7  21 32 o 114.1921 19.30502 405.7956       124.6842 0.000000       0.000000 405.7956       124.6842 ?        ?        114.1921 19.30502 0.000000       19.30502 
1 1 1 -7  21 33 o 151.1761 10.73652 681.9778       94.57184 884.3755       430.8073 671.7305       96.93636 154.1701 44.91663 149.9407 11.10219 4.229370       46.26837 
1 1 1 -7  21 34 o 67.33595 19.41442 143.0319       80.86961 283.8521       461.7320 138.5754       82.13926 105.7776 44.30344 66.42989 19.68322 39.34773       48.47911 
1 1 1 -7  21 35 o 247.5137 8.357524 1818.089       121.1446 1460.186       454.3840 1845.477       125.6943 197.3888 40.60669 249.2822 8.610456 -51.89336      41.50956 
1 1 1 -7  21 36 o 48.71679 18.95959 51.47118       77.86639 313.0877       407.3785 41.55069       79.32900 100.3425 41.78956 47.38793 18.91988 52.95460       45.87297 
1 1 1 -7  21 37 o 64.72777 21.42204 131.8153       94.64403 125.5381       103.1811 165.1087       237.6286 64.17949 22.35233 79.59557 32.40028 -15.41608      39.36248 
1 1 1 -7  21 38 o 209.0346 8.498093 1303.595       103.9642 1302.411       142.7966 1304.931       151.6583 207.3131 11.79331 207.0757 12.54669 0.2373810      17.21922 
1 1 1 -7  21 39 o 109.1593 14.23668 371.9018       88.97266 322.9714       122.4027 426.7169       129.5543 97.79908 21.88778 113.8760 20.13493 -16.07696      29.74038 
1 1 1 -7  21 40 o 112.5920 15.15899 400.2311       97.55786 519.7646       145.4895 302.5747       131.5035 125.1486 20.53387 92.96464 23.96667 32.18394       31.56012 
1 1 1 -7  21 41 o 56.13638 21.07260 89.31392       93.93887 64.80161       136.5234 111.3545       129.4573 58.07611 24.18987 62.81941 24.44695 -4.743301      34.39191 
1 1 1 -7  21 42 o 74.09243 21.41833 190.1914       98.30595 367.8444       142.4906 28.82586       135.8017 101.3390 24.29122 53.90019 23.33723 47.43882       33.68515 
1 1 1 -7  21 43 o 29.80491 14.75685 -198.7995      96.19389 -259.8157      138.7406 -142.3154      133.4887 36.17668 17.87713 40.63655 19.48446 -4.459873      26.44307 
1 1 1 -7  21 44 o 258.5323 9.244802 2021.789       139.9469 2080.992       200.7195 1965.784       195.2244 258.1245 13.30386 250.8460 13.31789 7.278458       18.82442 
1 1 1 -7  21 45 o 151.3142 14.07742 725.9366       123.4932 720.9335       176.1967 730.7674       173.1350 144.0288 21.51800 145.6783 20.85923 -1.649567      29.96885 
1 1 1 -7  21 46 f 55.57470 22.95830 72.72707       121.5663 197.9577       173.7645 -47.32582      170.1344 73.14746 28.36299 51.61274 23.86881 21.53472       37.06992 
1 1 1 -7  22 1  o 522.7386 15.49356 8064.843       474.4679 8064.843       474.4679 0.000000       0.000000 522.7386 15.49356 ?        ?        0.000000       15.49356 
1 1 1 -7  22 2  f 623.8483 13.11192 11458.71       479.7287 0.000000       0.000000 11458.71       479.7287 ?        ?        623.8483 13.11192 0.000000       13.11192 
1 1 1 -7  22 3  o 554.1812 11.80759 9035.876       383.7635 0.000000       0.000000 9035.876       383.7635 ?        ?        554.1812 11.80759 0.000000       11.80759 
1 1 1 -7  22 4  o 551.4135 12.41345 8949.683       401.4398 8806.652       518.7497 9163.213       633.8296 546.0304 16.21706 556.1028 19.46422 -10.07245      25.33473 
1 1 1 -7  22 5  o 381.4791 10.68651 4282.966       238.8521 4407.701       353.5316 4178.216       323.9760 386.2031 15.64089 376.1668 14.71364 10.03629       21.47390 
1 1 1 -7  22 6  o 155.6624 9.435444 714.7820       85.73384 0.000000       0.000000 714.7820       85.73384 ?        ?        155.6624 9.435444 0.000000       9.435444 
1 1 1 -7  22 7  o 99.95652 21.03455 307.3847       119.3988 0.000000       0.000000 307.3847       119.3988 ?        ?        99.95652 21.03455 0.000000       21.03455 
1 1 1 -7  22 8  o 227.0966 6.931426 1515.783       92.20937 1550.043       124.7746 1474.558       136.8706 229.4439 9.291770 223.6537 10.46379 5.790192       13.99385 
1 1 1 -7  22 9  o 302.8165 8.959307 2697.725       158.9376 2740.211       172.8818 2465.768       403.9503 305.1117 9.673620 286.4957 24.26951 18.61606       26.12638 
1 1 1 -7  22 10 o 313.6313 8.921035 2893.998       163.9244 2936.969       181.6245 2705.208       380.6936 315.8434 9.817024 300.7479 21.73006 15.09543       23.84469 
1 1 1 -7  22 11 o 256.0335 6.968113 1926.815       104.5342 1945.788       143.6059 1905.431       152.4584 257.0276 9.543262 254.2588 10.24507 2.768814       14.00126 
1 1 1 -7  22 12 o 267.3160 6.933462 2100.403       108.6073 1989.616       145.4796 2239.886       163.2374 259.8838 9.561217 275.6933 10.11299 -15.80945      13.91724 
1 1 1 -7  22 13 f 286.7159 21.23590 2464.076       354.5512 0.000000       0.000000 2464.076       354.5512 ?        ?        286.7159 21.23590 0.000000       21.23590 
1 1 1 -7  22 14 o 171.4885 10.75109 869.6635       107.5839 869.6635       107.5839 0.000000       0.000000 171.4885 10.75109 ?        ?        0.000000       10.75109 
1 1 1 -7  22 15 o 410.9605 12.67104 4990.385       305.0307 0.000000       0.000000 4990.385       305.0307 ?        ?        410.9605 12.67104 0.000000       12.67104 
1 1 1 -7  22 16 o 198.9539 12.06072 1172.422       140.0656 0.000000       0.000000 1172.422       140.0656 ?        ?        198.9539 12.06072 0.000000       12.06072 
1 1 1 -7  22 17 o 331.3666 7.134169 3227.646       138.6445 3155.944       196.1358 3299.256       196.0101 327.0906 10.23701 334.4860 10.00319 -7.395447      14.31294 
1 1 1 -7  22 18 o 305.6884 7.081973 2746.955       126.9649 2591.901       174.0555 2923.282       185.6121 296.4016 10.02727 314.7924 10.06678 -18.39081      14.20866 
1 1 1 -7  22 19 o 261.7119 7.028295 2014.989       107.7781 2050.131       152.4346 1979.860       152.4080 263.5729 9.878741 258.9805 10.05346 4.592377       14.09474 
1 1 1 -7  22 20 o 375.2932 7.385664 4141.792       162.5589 4018.428       235.9709 4253.218       224.2618 368.8873 10.91924 379.7151 10.07932 -10.82773      14.86010 
1 1 1 -7  22 21 o 212.6498 7.851883 1332.053       97.75589 1409.767       134.1929 1244.180       142.6938 218.3896 10.50808 204.8899 11.92657 13.49969       15.89537 
1 1 1 -7  22 22 o 138.9781 16.72957 582.4284       133.6194 34.81170       448.1828 635.8519       139.9854 98.71413 42.56686 145.2944 16.73318 -46.58030      45.73770 
1 1 1 -7  22 23 o 211.8556 12.12142 1330.292       149.9780 883.5417       495.0151 1375.446       157.3749 161.9276 48.40421 215.3579 12.51408 -53.43031      49.99569 
1 1 1 -7  22 24 o 267.8293 8.389224 2113.328       131.6117 2327.788       547.8310 2100.192       135.5825 271.1736 35.28259 266.9522 8.671537 4.221405       36.33258 
1 1 1 -7  22 25 o 191.4201 12.23452 1087.740       136.6299 531.1151       511.0655 1130.585       141.7909 133.6985 49.35049 195.1256 12.45537 -61.42714      50.89801 
1 1 1 -7  22 26 o 211.7280 8.963872 1323.306       111.0557 1202.550       495.6884 1329.687       113.9524 187.7307 45.50180 212.2050 9.177947 -24.47426      46.41820 
1 1 1 -7  22 27 o 230.3021 8.777390 1565.483       118.3363 1284.399       500.8146 1582.104       121.7849 193.5267 44.98229 231.4869 8.987576 -37.96021      45.87137 
1 1 1 -7  22 28 o 351.7108 8.729058 3648.017       180.0544 0.000000       0.000000 3648.017       180.0544 ?        ?        351.7108 8.729058 0.000000       8.729058 
1 1 1 -7  22 29 o 45.21738 18.61455 21.52869       79.54623 550.0953       465.5546 5.633511       80.73344 129.8018 47.23304 43.28886 18.34909 86.51299       50.67197 
1 1 1 -7  22 30 o 266.5627 8.199979 2097.808       128.0400 2758.315       503.6848 2052.177       132.3890 294.5249 29.55909 263.5611 8.576278 30.96378       30.77812 
1 1 1 -7  22 31 o 203.0727 9.161958 1221.329       108.8355 1310.096       495.3158 1216.826       111.5620 190.8532 44.99120 202.6418 9.412928 -11.78859      45.96532 
1 1 1 -7  22 32 o 66.35944 20.33902 135.9142       86.63874 668.4315       452.1724 115.6190       88.27428 135.2211 46.80932 62.48839 20.68890 72.73267       51.17756 
1 1 1 -7  22 33 o 61.99213 19.45875 117.8372       78.76938 95.21316       399.8270 118.7507       80.34398 91.66232 39.86271 62.28301 19.66619 29.37931       44.44992 
1 1 1 -7  22 34 f 219.1726 10.37787 1434.505       133.0177 1222.602       404.0101 1460.269       140.8721 182.3835 38.95479 220.9292 10.90600 -38.54578      40.45264 
1 1 1 -7  22 35 o 93.99068 15.54339 276.2060       82.68818 -246.5686      409.9149 298.3805       84.42366 74.38877 35.23541 97.89445 15.19723 -23.50568      38.37304 
1 1 1 -7  22 36 o 72.07584 22.30419 169.5359       103.8872 98.59917       424.0692 174.0649       107.1522 88.29632 39.58543 72.95039 22.66475 15.34592       45.61466 
1 1 1 -7  22 37 o 122.8688 11.91018 459.8868       84.74923 523.9399       111.4293 371.9901       130.5317 129.9126 14.89406 105.9112 21.74356 24.00135       26.35556 
1 1 1 -7  22 38 o 64.22064 19.87008 133.9798       82.45352 132.8666       111.6809 135.3137       122.2480 65.42844 23.21666 66.54286 24.20522 -1.114426      33.53961 
1 1 1 -7  22 39 o 110.1462 14.25169 379.8484       89.90731 422.0992       121.8898 329.4296       133.1516 113.6137 18.96084 97.44099 23.56127 16.17270       30.24313 
1 1 1 -7  22 40 o 72.61990 20.57897 178.7193       91.63123 298.4530       133.2130 71.19189       126.2402 91.78233 24.34985 57.62265 23.55518 34.15968       33.87864 
1 1 1 -7  22 41 o 75.67471 21.45222 198.0118       99.55502 200.3341       149.7729 196.1736       133.2544 75.39243 26.87217 74.63327 25.42558 0.7591629      36.99423 
1 1 1 -7  22 42 o 61.75499 21.83444 124.0728       98.70369 219.1645       139.6427 29.12977       139.5336 77.49523 26.02976 54.22550 23.56574 23.26973       35.11257 
1 1 1 -7  22 43 o 135.5359 13.50667 577.1870       105.9349 632.2583       145.0652 514.2628       155.0633 138.2209 18.34806 120.9767 22.68857 17.24426       29.17914 
1 1 1 -7  22 44 o 41.28672 19.01222 -48.15076      106.2992 -29.80862      150.0498 -66.63046      150.6114 50.28788 22.94357 47.83790 22.23829 2.449974       31.95229 
1 1 1 -7  22 45 o 160.2235 13.66662 810.7861       127.1967 833.1619       181.1445 789.0228       178.6482 156.1094 20.26308 151.4910 20.64425 4.618439       28.92711 
1 1 1 -7  23 1  o 150.9332 25.11573 696.9919       214.5119 696.9919       214.5119 0.000000       0.000000 150.9332 25.11573 ?        ?        0.000000       25.11573 
1 1 1 -7  23 2  o 249.4352 8.395439 1830.154       122.6400 0.000000       0.000000 1830.154       122.6400 ?        ?        249.4352 8.395439 0.000000       8.395439 
1 1 1 -7  23 3  o 391.4200 9.377995 4503.999       215.2799 0.000000       0.000000 4503.999       215.2799 ?        ?        391.4200 9.377995 0.000000       9.377995 
1 1 1 -7  23 4  o 162.7358 10.24084 782.0097       97.24364 1326.335       264.7833 697.1459       104.5496 210.1435 21.80082 153.4413 11.70632 56.70219       24.74497 
1 1 1 -7  23 5  o 225.8204 10.24782 1503.126       135.3668 1444.733       271.0573 1522.529       156.2460 219.4839 21.32609 227.0901 11.77186 -7.606201      24.35937 
1 1 1 -7  23 6  o 505.6413 10.37942 7522.284       307.7982 7637.516       484.0958 7444.086       398.7868 508.0188 16.26902 502.2398 13.55115 5.778961       21.17344 
1 1 1 -7  23 7  o 326.0063 7.406622 3122.031       141.6109 3092.457       186.0763 3162.733       218.2966 324.0978 9.800847 327.5375 11.38140 -3.439697      15.01975 
1 1 1 -7  23 8  o 134.9338 8.780089 537.5247       69.10435 428.9788       82.35801 795.7408       127.0255 120.0947 11.84729 163.7112 13.34575 -43.61654      17.84566 
1 1 1 -7  23 9  o 171.7409 7.612630 868.3483       76.48537 895.2301       98.50104 827.5277       121.3811 174.1743 9.680955 167.0771 12.47760 7.097198       15.79277 
1 1 1 -7  23 10 o 145.5158 8.531973 624.6988       72.49377 678.2266       92.15683 537.8094       117.4143 151.4254 10.44107 134.0254 15.20612 17.40007       18.44565 
1 1 1 -7  23 11 o 307.8354 7.003675 2784.001       126.4431 2760.781       177.2066 2808.085       180.4733 306.1082 9.883803 308.7078 9.981277 -2.599609      14.04690 
1 1 1 -7  23 12 o 208.7635 27.09356 1335.180       323.9025 0.000000       0.000000 1335.180       323.9025 ?        ?        208.7635 27.09356 0.000000       27.09356 
1 1 1 -7  23 13 f 96.74890 12.76117 281.0257       70.64426 241.0475       83.02534 385.8906       134.4666 88.77186 16.55609 111.8998 21.26686 -23.12799      26.95150 
1 1 1 -7  23 14 o 293.4247 6.934564 2530.075       119.3346 2337.565       158.2272 2784.032       181.7332 281.6073 9.594479 307.2714 10.09838 -25.66409      13.92951 
1 1 1 -7  23 15 o 256.2093 10.88241 1938.983       163.1475 0.000000       0.000000 1938.983       163.1475 ?        ?        256.2093 10.88241 0.000000       10.88241 
1 1 1 -7  23 16 o 562.5475 9.164501 9317.787       302.3560 8690.833       433.7884 9910.178       421.6613 541.7767 13.66324 579.1698 12.41388 -37.39313      18.46046 
1 1 1 -7  23 17 o 41.52688 18.20782 -19.09280      84.90750 -71.27201      90.98170 333.0036       236.3394 37.92709 17.50957 104.4471 33.80972 -66.52005      38.07470 
1 1 1 -7  23 18 o 81.22149 16.65624 203.1633       76.67599 150.0477       97.83604 287.7297       123.4489 70.54469 21.61184 95.97642 22.35011 -25.43173      31.09018 
1 1 1 -7  23 19 o 218.5411 7.977772 1407.003       102.0788 1473.417       141.7422 1335.443       147.1311 223.2137 10.86009 212.3036 11.86390 10.91014       16.08396 
1 1 1 -7  23 20 o 524.9275 8.899089 8113.291       273.9652 7844.848       406.5977 8336.506       370.7671 514.6390 13.48298 531.2448 11.90025 -16.60577      17.98351 
1 1 1 -7  23 21 o 494.7993 8.629442 7206.721       250.4162 7119.141       379.8470 7274.045       333.0360 490.3530 13.22044 496.3889 11.43981 -6.035950      17.48282 
1 1 1 -7  23 22 o 249.7025 8.180642 1836.615       119.6394 1772.588       159.8635 1918.131       180.3794 244.8309 11.16290 254.5169 12.11907 -9.686066      16.47671 
1 1 1 -7  23 23 o 203.8981 9.163950 1226.993       109.3038 1218.563       148.6006 1236.931       161.3420 202.6241 12.56671 203.9506 13.56588 -1.326431      18.49203 
1 1 1 -7  23 24 o 133.0373 26.08782 555.5844       196.2684 102.6313       538.9037 624.8525       210.7419 109.5998 46.95979 141.1783 26.42359 -31.57847      53.88346 
1 1 1 -7  23 25 o 341.6713 9.931545 3446.775       198.7992 3013.615       554.4420 3510.679       212.9594 310.3907 30.86630 344.6768 10.54740 -34.28613      32.61864 
1 1 1 -7  23 26 o 348.5622 8.275251 3578.968       169.1656 3502.679       589.9597 3585.802       176.5805 334.3378 30.42027 348.8252 8.631463 -14.48734      31.62111 
1 1 1 -7  23 27 o 110.6716 14.44051 370.6022       91.49470 348.4916       513.1328 371.3283       92.98477 118.9816 47.90752 110.7255 14.68041 8.256111       50.10634 
1 1 1 -7  23 28 o 100.7865 15.53815 310.3146       88.89637 0.000000       0.000000 310.3146       88.89637 ?        ?        100.7865 15.53815 0.000000       15.53815 
1 1 1 -7  23 29 o 55.22698 20.33340 75.56353       86.66547 0.000000       0.000000 75.56353       86.66547 ?        ?        55.22698 20.33340 0.000000       20.33340 
1 1 1 -7  23 30 o 201.3864 9.523584 1202.021       112.1628 1228.870       512.3694 1200.669       114.9509 182.9535 47.37991 201.2171 9.770060 -18.26352      48.37675 
1 1 1 -7  23 31 o 111.6041 14.68134 379.5006       93.76591 1465.805       521.6867 343.2359       95.31818 199.9677 45.51007 105.7158 15.86293 94.25184       48.19542 
1 1 1 -7  23 32 o 28.05330 13.80348 -162.7806      79.74227 -1079.904      507.8671 -139.5989      80.74379 65.51857 32.68105 29.67731 14.44991 35.84126       35.73305 
1 1 1 -7  23 33 o 323.9253 9.914638 3124.064       188.1311 3289.227       506.1729 3097.592       202.6482 316.9796 27.49990 322.1267 10.74171 -5.147064      29.52336 
1 1 1 -7  23 34 o 60.64077 19.54320 113.6725       79.02164 135.4341       409.2506 112.8297       80.53725 91.04266 39.94467 60.57035 19.74628 30.47231       44.55886 
1 1 1 -7  23 35 o 154.5610 10.24836 717.5401       92.37300 478.0247       410.1442 730.3386       94.80886 110.4695 43.36108 155.8729 10.43121 -45.40339      44.59813 
1 1 1 -7  23 36 o 144.5241 11.32876 632.4564       95.25557 630.1571       468.6020 632.5555       97.28677 118.4791 46.39481 144.4333 11.58214 -25.95417      47.81866 
1 1 1 -7  23 37 o 163.7188 10.94976 810.9397       104.5321 514.8639       467.1186 826.5482       107.2521 108.7485 44.97166 165.2075 11.13446 -56.45904      46.32954 
1 1 1 -7  23 38 o 111.7873 14.29730 390.8428       91.59123 416.5764       123.8857 359.8203       136.0224 112.6630 19.45246 102.3033 23.20613 10.35965       30.28073 
1 1 1 -7  23 39 o 59.87278 20.65888 112.8897       88.04675 127.8455       125.6785 98.47439       123.3869 64.98882 24.37851 60.80388 23.80777 4.184937       34.07524 
1 1 1 -7  23 40 o 45.88587 19.30398 25.83714       88.26523 106.4626       126.3111 -51.10471      123.3919 61.74033 24.11338 45.06468 20.65298 16.67564       31.74903 
1 1 1 -7  23 41 o 63.78004 21.93876 134.9260       99.26794 287.6340       139.6530 -21.03109      141.1308 88.46278 25.51486 50.26706 22.66065 38.19571       34.12497 
1 1 1 -7  23 42 o 90.13629 20.51039 280.5207       105.9753 352.6036       152.2290 212.7360       147.6206 96.99332 26.16390 76.17827 26.72174 20.81506       37.39788 
1 1 1 -7  23 43 o 106.2924 17.91350 376.2173       107.7030 411.1134       148.7120 337.7218       156.1935 106.0161 24.42123 93.62191 26.97768 12.39420       36.38944 
1 1 1 -7  23 44 o 227.9097 10.24869 1586.432       136.6373 1396.606       183.4785 1822.784       204.7325 209.0426 15.06688 239.4527 14.64872 -30.41010      21.01418 
1 1 1 -7  23 45 o 56.42006 23.07539 80.91301       121.2267 188.8763       164.7770 -46.46968      178.9837 71.77801 27.67679 52.71716 24.41531 19.06085       36.90680 
1 1 1 -7  24 1  o 293.3146 7.429324 2529.063       127.6979 2802.806       264.4288 2445.806       145.8297 307.7182 14.69473 288.3176 8.634038 19.40060       17.04353 
1 1 1 -7  24 2  o 281.1519 8.614038 2325.855       141.8684 0.000000       0.000000 2325.855       141.8684 ?        ?        281.1519 8.614038 0.000000       8.614038 
1 1 1 -7  24 3  o 179.9750 8.183816 953.9344       86.15504 1068.807       255.3701 939.1802       91.52081 187.7352 23.72261 178.5177 8.768370 9.217529       25.29123 
1 1 1 -7  24 4  o 159.6196 14.00976 757.8332       129.8207 749.1955       272.9390 760.3586       147.5839 154.7213 31.15797 159.5489 15.98745 -4.827576      35.02025 
1 1 1 -7  24 5  o 88.11483 12.58891 233.4941       63.20904 178.9856       72.06514 415.2820       131.6060 76.31145 16.57744 116.6198 19.95927 -40.30838      25.94579 
1 1 1 -7  24 6  o 420.1754 7.392867 5187.253       182.1772 5223.171       230.2993 5127.198       297.7931 421.3835 9.318901 416.8555 12.19398 4.527924       15.34715 
1 1 1 -7  24 7  o 356.1388 7.042563 3726.133       147.0959 3900.392       190.4512 3468.491       231.5773 364.1693 8.917226 342.8851 11.53228 21.28421       14.57774 
1 1 1 -7  24 8  o 328.8152 7.025596 3176.458       135.4832 3263.031       173.3199 3040.451       217.2385 332.9609 8.883678 320.9784 11.55900 11.98245       14.57841 
1 1 1 -7  24 9  o 318.9348 7.153361 2988.836       133.8020 3168.693       196.5560 2833.516       182.6568 327.8869 10.23396 310.0706 10.05772 17.81625       14.34893 
1 1 1 -7  24 10 o 209.6541 7.198623 1293.178       88.38093 1435.883       122.0766 1135.990       128.1214 220.6788 9.454293 196.0058 11.19209 24.67299       14.65082 
1 1 1 -7  24 11 o 129.1913 9.813946 494.2286       73.80164 556.6559       91.77070 379.9424       124.1691 136.9148 11.53608 111.3288 19.74030 25.58598       22.86396 
1 1 1 -7  24 12 o 335.8818 9.502023 3324.177       186.9892 3453.042       211.6141 2865.140       399.3953 342.1439 10.55858 308.4493 22.22752 33.69452       24.60785 
1 1 1 -7  24 13 o 197.6679 7.612975 1150.560       88.09037 1102.701       113.8330 1222.007       139.0840 193.1992 10.08132 203.1541 11.72328 -9.954910      15.46184 
1 1 1 -7  24 14 o 338.6514 7.227872 3371.533       143.5535 3212.863       198.2846 3546.304       208.1016 330.0064 10.25756 346.7263 10.24507 -16.71985      14.49754 
1 1 1 -7  24 15 o 383.7577 7.616455 4331.012       171.4196 4221.444       245.3750 4435.462       239.5769 378.1057 11.07733 387.7042 10.54623 -9.598572      15.29478 
1 1 1 -7  24 16 o 343.3409 19.84064 3537.668       397.8120 0.000000       0.000000 3537.668       397.8120 ?        ?        343.3409 19.84064 0.000000       19.84064 
1 1 1 -7  24 17 o 256.4739 7.701564 1936.546       115.7125 1819.608       153.9135 2088.559       175.4845 248.1586 10.59982 265.7675 11.28434 -17.60886      15.48200 
1 1 1 -7  24 18 o 46.48026 18.99007 24.58726       81.99517 25.35019       100.2843 23.04865       142.4150 50.67828 20.88552 58.73239 24.60240 -8.054108      32.27201 
1 1 1 -7  24 19 o 83.81988 17.94045 217.1770       85.52952 197.8516       105.5324 254.1676       146.0052 79.87737 21.88429 90.43295 26.09039 -10.55559      34.05335 
1 1 1 -7  24 20 o 354.1118 7.888379 3688.813       163.8244 3671.021       236.9701 3705.100       226.7342 352.4473 11.47965 354.2096 10.92763 -1.762299      15.84915 
1 1 1 -7  24 21 o 238.7906 8.514751 1680.471       119.0540 1551.293       155.8451 1861.504       184.4927 228.9104 11.64680 250.6167 12.59251 -21.70625      17.15283 
1 1 1 -7  24 22 f 226.5690 8.820482 1513.848       116.9803 1431.545       155.9675 1619.686       176.8667 219.7513 12.14914 233.6184 12.95966 -13.86708      17.76385 
1 1 1 -7  24 23 o 288.7796 7.872757 2455.894       133.2105 2358.893       181.5914 2568.910       196.0099 282.4424 10.98357 294.6805 11.36294 -12.23819      15.80365 
1 1 1 -7  24 24 o 91.06713 17.59956 255.8548       90.59536 87.23901       117.1427 506.7966       142.9067 62.07319 23.48122 128.5901 19.56544 -66.51694      30.56426 
1 1 1 -7  24 25 o 98.46397 22.79368 305.3602       129.0241 -329.2478      583.3750 337.9989       132.3004 94.49340 43.87224 103.7542 22.39926 -9.260796      49.25952 
1 1 1 -7  24 26 o 274.9246 10.49600 2237.991       168.9232 1433.214       595.7091 2308.361       176.1539 198.9256 50.86782 279.1460 10.78021 -80.22044      51.99758 
1 1 1 -7  24 27 o 360.6337 8.395846 3835.654       177.5748 3996.145       644.8473 3822.485       184.7165 354.1836 31.36802 359.9255 8.750696 -5.741913      32.56573 
1 1 1 -7  24 28 o 207.7026 9.254160 1276.950       112.4444 3120.344       608.4625 1211.769       114.4150 309.6208 34.07080 202.2333 9.674784 107.3875       35.41780 
1 1 1 -7  24 29 f 208.1952 9.632582 1284.783       117.2966 0.000000       0.000000 1284.783       117.2966 ?        ?        208.1952 9.632582 0.000000       9.632582 
1 1 1 -7  24 30 o 164.5723 12.23330 810.9461       117.2286 0.000000       0.000000 810.9461       117.2286 ?        ?        164.5723 12.23330 0.000000       12.23330 
1 1 1 -7  24 31 o 37.85683 17.20064 -44.81801      83.24050 425.1263       539.0775 -56.29674      84.25097 118.3515 48.56156 37.02419 17.00422 81.32733       51.45258 
1 1 1 -7  24 32 o 160.8814 10.32028 773.6265       96.86151 419.8379       492.4993 787.8619       98.79099 113.4481 46.46790 162.3273 10.43231 -48.87912      47.62456 
1 1 1 -7  24 33 o 78.17121 23.72614 199.8831       118.2786 0.000000       0.000000 199.8831       118.2786 ?        ?        78.17121 23.72614 0.000000       23.72614 
1 1 1 -7  24 34 o 76.61375 18.26822 189.6042       80.92312 -370.6213      479.0643 206.0590       82.10294 75.71138 36.45897 80.01508 17.93996 -4.303703      40.63372 
1 1 1 -7  24 35 o 257.1106 8.744645 1971.284       131.6680 1447.587       538.1663 2004.628       135.7950 176.4845 49.82468 259.1776 8.947206 -82.69308      50.62164 
1 1 1 -7  24 36 o 154.9076 10.82642 725.4258       97.73846 1230.398       511.2799 706.2723       99.57481 158.5292 49.54838 152.6804 11.19817 5.848831       50.79805 
1 1 1 -7  24 37 o 229.9806 9.196432 1586.278       123.7897 1512.514       505.0722 1590.993       127.6841 178.3966 47.45223 230.1630 9.479408 -51.76639      48.38981 
1 1 1 -7  24 38 f 42.11174 18.15861 5.659788       81.55524 91.97655       109.0709 -103.7956      122.8230 58.44689 22.52255 41.41600 19.51740 17.03089       29.80259 
1 1 1 -7  24 39 o 203.6493 8.942273 1246.662       106.5421 1166.055       140.2310 1356.723       163.8601 194.8034 12.33769 209.3194 13.41858 -14.51599      18.22847 
1 1 1 -7  24 40 o 53.56271 20.80851 75.15303       93.66383 46.55164       123.7183 113.5589       143.3637 53.97616 22.78894 63.78064 25.44452 -9.804478      34.15786 
1 1 1 -7  24 41 o 80.25508 22.01958 227.6262       106.7529 188.2231       152.8623 265.1382       149.1489 73.00139 26.98219 83.85234 26.83243 -10.85095      38.05283 
1 1 1 -7  24 42 o 97.37997 20.19497 325.9793       111.5484 391.5147       153.4919 252.6249       162.3905 102.5353 25.60386 81.09876 28.05289 21.43651       37.98055 
1 1 1 -7  24 43 o 107.0509 19.32442 390.0154       116.8608 274.6776       158.5702 527.1237       172.8890 83.69121 27.72953 119.0599 25.52654 -35.36872      37.68993 
1 1 1 -7  24 44 o 98.65072 22.42419 349.8802       126.7873 429.8992       177.0149 265.5834       181.6850 103.8626 28.29710 81.15714 29.51040 22.70543       40.88508 
1 1 1 -7  25 1  o 340.2368 8.992930 3407.373       179.2883 0.000000       0.000000 3407.373       179.2883 ?        ?        340.2368 8.992930 0.000000       8.992930 
1 1 1 -7  25 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  25 3  o 300.9208 9.785509 2667.996       172.4679 2560.732       292.6334 2725.083       213.4855 293.3773 17.08163 303.7655 12.00704 -10.38824      20.87944 
1 1 1 -7  25 4  o 336.2328 7.058484 3321.612       139.1880 3171.641       167.4880 3656.382       250.2377 328.2732 8.707258 351.8919 12.14351 -23.61865      14.94259 
1 1 1 -7  25 5  o 463.9123 7.808763 6326.284       212.4558 6471.627       270.0881 6090.381       344.0906 468.8798 9.821853 454.0396 12.93515 14.84018       16.24152 
1 1 1 -7  25 6  o 194.1361 7.379635 1109.226       83.86876 1082.807       99.08519 1175.977       157.5004 191.6537 8.839180 199.0589 13.57236 -7.405151      16.19691 
1 1 1 -7  25 7  f 268.4920 7.028791 2119.697       110.5831 2176.276       138.7063 2021.009       183.1897 271.8563 8.710985 261.4757 11.97772 10.38062       14.81037 
1 1 1 -7  25 8  o 202.7933 7.378471 1210.349       87.60845 1252.734       107.2192 1125.204       151.9660 206.1512 8.889100 194.6904 13.39073 11.46078       16.07258 
1 1 1 -7  25 9  o 278.5439 7.087737 2281.687       115.6908 2371.251       160.1724 2183.995       167.2822 283.6189 9.643487 272.0412 10.50465 11.57770       14.25989 
1 1 1 -7  25 10 o 103.7193 11.98844 321.6876       71.58360 239.3851       86.85157 496.0317       126.4081 88.25341 17.39886 128.0775 17.26829 -39.82412      24.51355 
1 1 1 -7  25 11 o 102.6266 39.55190 244.8598       336.3914 0.000000       0.000000 244.8598       336.3914 ?        ?        102.6266 39.55190 0.000000       39.55190 
1 1 1 -7  25 12 o 54.72586 26.75075 -512.9717      284.5646 0.000000       0.000000 -512.9717      284.5646 ?        ?        54.72586 26.75075 0.000000       26.75075 
1 1 1 -7  25 13 o 127.4325 39.20184 519.0870       321.4901 0.000000       0.000000 519.0870       321.4901 ?        ?        127.4325 39.20184 0.000000       39.20184 
1 1 1 -7  25 14 o 142.0076 12.07389 599.9685       99.60380 574.8287       104.7956 834.9946       320.4202 138.8133 13.02460 161.0317 34.93460 -22.21837      37.28360 
1 1 1 -7  25 15 o 170.4453 9.134583 858.0040       90.97773 896.7774       116.8120 798.2200       145.0483 173.9076 11.51787 163.3077 15.32353 10.59985       19.16956 
1 1 1 -7  25 16 o 84.49065 16.71770 219.5466       79.90491 118.9391       95.24727 458.5860       146.8156 64.52299 21.49450 121.9767 21.29769 -57.45369      30.25897 
1 1 1 -7  25 17 o 426.9858 8.170035 5364.685       204.5917 5155.954       292.2337 5565.339       286.5234 417.6138 11.94404 434.0825 11.26431 -16.46863      16.41782 
1 1 1 -7  25 18 o 453.3808 8.637673 6050.734       229.6733 6349.683       357.5282 5840.688       299.6874 463.0918 13.17755 444.6407 11.50200 18.45108       17.49125 
1 1 1 -7  25 19 o 155.1576 11.84854 715.0692       107.0017 664.7373       138.5870 789.3594       168.3708 148.7323 16.14668 161.7695 18.05419 -13.03726      24.22125 
1 1 1 -7  25 20 o 201.8925 9.402777 1203.388       111.0280 1149.172       141.6036 1289.909       178.8855 196.7988 12.33075 208.0393 14.75732 -11.24052      19.23086 
1 1 1 -7  25 21 o 304.0888 8.105541 2723.280       144.4260 2699.326       199.9491 2749.411       208.8394 302.1346 11.30407 304.8377 11.70309 -2.703094      16.27097 
1 1 1 -7  25 22 o 339.1574 8.058275 3385.971       160.2854 3489.153       234.0485 3294.835       219.9622 343.3835 11.63869 333.7726 11.25300 9.610931       16.18917 
1 1 1 -7  25 23 o 191.0729 11.25700 1082.825       125.5867 1124.289       149.5360 983.5735       231.3557 194.3033 13.20084 179.0180 22.53416 15.28537       26.11610 
1 1 1 -7  25 24 o 421.8451 8.343151 5243.420       206.4114 5299.292       309.2993 5198.557       277.1580 422.6517 12.49173 419.0553 11.28759 3.596436       16.83606 
1 1 1 -7  25 25 o 125.8504 13.33987 475.8018       96.96181 610.7704       131.8309 316.7454       143.1121 142.0627 16.10682 99.74319 24.61676 42.31948       29.41793 
1 1 1 -7  25 26 o 196.2691 13.58433 1151.956       155.4006 0.000000       0.000000 1151.956       155.4006 ?        ?        196.2691 13.58433 0.000000       13.58433 
1 1 1 -7  25 27 o 92.33836 18.14936 265.4886       94.78056 -951.4183      544.2104 303.5547       96.25156 72.93706 35.92170 99.15668 17.17316 -26.21963      39.81565 
1 1 1 -7  25 28 o 67.58307 20.74368 140.2685       90.08011 176.5350       488.6637 138.9927       91.65076 105.2906 44.90484 67.42117 20.96363 37.86943       49.55722 
1 1 1 -7  25 29 o 118.4962 14.98111 427.6555       101.7887 0.000000       0.000000 427.6555       101.7887 ?        ?        118.4962 14.98111 0.000000       14.98111 
1 1 1 -7  25 30 o 86.19402 19.02746 235.4129       93.60794 0.000000       0.000000 235.4129       93.60794 ?        ?        86.19402 19.02746 0.000000       19.02746 
1 1 1 -7  25 31 o 49.86683 19.78495 46.69913       86.21994 0.000000       0.000000 46.69913       86.21994 ?        ?        49.86683 19.78495 0.000000       19.78495 
1 1 1 -7  25 32 o 199.2632 9.324247 1183.648       108.6639 933.0793       511.3523 1195.498       111.2038 145.1860 49.79809 200.1989 9.498338 -55.01294      50.69584 
1 1 1 -7  25 33 o 83.37153 22.69369 231.0565       113.9115 0.000000       0.000000 231.0565       113.9115 ?        ?        83.37153 22.69369 0.000000       22.69369 
1 1 1 -7  25 34 o 91.87147 16.23110 267.2857       84.25650 -112.2299      522.0642 277.4353       85.37573 85.41204 40.24697 93.68269 16.12036 -8.270645      43.35533 
1 1 1 -7  25 35 o 161.9922 13.05733 803.0530       123.0004 794.1037       519.1819 803.5851       126.6047 126.0986 48.99001 161.8364 13.46074 -35.73782      50.80564 
1 1 1 -7  25 36 o 157.7482 11.22572 755.7327       103.1768 849.5685       510.4956 751.7363       105.3510 126.5111 48.73246 157.1922 11.50739 -30.68109      50.07268 
1 1 1 -7  25 37 o 218.8514 9.339824 1439.742       119.6021 1008.745       525.8208 1463.257       122.8215 132.7283 49.84894 220.5304 9.518737 -87.80215      50.74961 
1 1 1 -7  25 38 o 96.65777 15.86982 299.6599       86.84269 401.0696       115.4178 167.3335       131.8428 110.6019 18.44248 70.72666 25.21205 39.87522       31.23736 
1 1 1 -7  25 39 o 68.64507 21.34927 160.9870       95.04749 73.43002       127.5591 270.2809       142.5162 57.58786 23.62502 85.77663 26.04585 -28.18877      35.16429 
1 1 1 -7  25 40 o 41.39486 18.65544 -24.88922      95.56882 65.62880       128.7408 -135.9978      142.6338 56.48171 23.50517 42.71842 20.38978 13.76329       31.11649 
1 1 1 -7  25 41 o 53.70495 21.48771 71.10871       102.5444 -94.51959      142.1694 250.7189       148.0486 44.92409 21.11697 81.47559 26.78506 -36.55149      34.10815 
1 1 1 -7  25 42 o 78.11575 23.33867 222.6570       115.1040 232.1657       155.2403 211.0465       171.5409 77.96391 27.39844 75.20205 28.42230 2.761864       39.47786 
1 1 1 -7  25 43 o 57.53051 23.45488 85.12287       124.7604 27.00446       171.8592 149.8755       181.4030 57.17970 25.44679 68.65569 28.17031 -11.47599      37.96189 
1 1 1 -7  26 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  26 2  o 335.0306 9.462711 3306.821       185.7442 3319.013       290.7619 3298.416       241.4279 334.5152 14.85785 334.0610 12.34408 0.4542236      19.31663 
1 1 1 -7  26 3  o 204.1334 9.420786 1229.254       112.4810 1229.254       112.4810 0.000000       0.000000 204.1334 9.420786 ?        ?        0.000000       9.420786 
1 1 1 -7  26 4  f 62.60251 29.51885 -290.6696      281.6978 -290.6696      281.6978 0.000000       0.000000 62.60251 29.51885 ?        ?        0.000000       29.51885 
1 1 1 -7  26 5  o 205.8692 7.638690 1247.781       92.06764 1260.640       111.3234 1219.949       163.7747 206.7435 9.204377 202.6284 13.86504 4.115143       16.64211 
1 1 1 -7  26 6  o 299.6750 10.40941 2649.726       182.6700 2798.458       338.9803 2588.861       216.8494 305.8289 18.99302 295.8002 12.52835 10.02875       22.75290 
1 1 1 -7  26 7  o 238.2296 7.236404 1669.868       100.9870 1720.002       124.5892 1573.837       172.4338 241.5878 8.808105 230.4310 12.80984 11.15681       15.54589 
1 1 1 -7  26 8  o 338.7883 7.130913 3373.941       141.6851 3455.091       180.9072 3245.191       227.8701 342.4717 9.014850 331.3668 11.74398 11.10489       14.80502 
1 1 1 -7  26 9  o 265.0372 6.764914 2065.794       105.0666 2014.537       132.4227 2152.887       172.6145 261.4866 8.646897 269.9521 10.92542 -8.465485      13.93319 
1 1 1 -7  26 10 o 230.5454 7.558965 1564.688       102.0662 1582.885       134.0408 1539.578       157.4569 231.5639 9.892758 228.0452 11.81335 3.518677       15.40850 
1 1 1 -7  26 11 o 355.1255 7.537455 3708.838       156.9846 3752.816       224.8568 3667.020       219.2682 356.5313 10.76603 352.4608 10.61964 4.070526       15.12231 
1 1 1 -7  26 12 o 430.2527 8.088978 5446.627       204.1117 5630.230       310.3680 5306.703       270.9463 436.3639 12.13947 423.9715 10.90578 12.39240       16.31879 
1 1 1 -7  26 13 o 282.6263 9.495648 2355.878       157.1703 2434.869       170.9744 1925.110       399.2695 287.2106 10.16636 249.9606 27.70046 37.24998       29.50712 
1 1 1 -7  26 14 o 157.0110 9.717461 729.1773       89.04302 657.6570       109.6288 867.8289       152.6414 148.6101 12.70002 170.3080 15.45018 -21.69786      19.99997 
1 1 1 -7  26 15 o 168.1360 9.689401 835.7174       95.14035 787.4482       118.2694 924.2346       160.1589 162.7496 12.48624 175.7445 15.70415 -12.99490      20.06307 
1 1 1 -7  26 16 f 280.4466 8.573046 2317.169       140.8399 2110.597       170.5839 2759.525       249.6249 267.2489 10.90649 304.9242 13.99604 -37.67529      17.74375 
1 1 1 -7  26 17 o 123.6977 15.02742 460.2934       106.7838 451.1613       133.5655 476.4705       177.7703 121.4501 19.40471 123.3411 25.42103 -1.890976      31.98080 
1 1 1 -7  26 18 o 372.6611 8.271491 4086.917       180.7792 3778.260       239.7034 4494.044       275.2970 357.5524 11.44574 389.8218 12.05611 -32.26941      16.62392 
1 1 1 -7  26 19 o 212.7109 9.533929 1335.902       118.6334 1511.142       155.8528 1094.492       182.9264 225.8620 11.80678 191.1268 16.48021 34.73521       20.27307 
1 1 1 -7  26 20 o 412.3935 9.356093 5011.826       226.2856 5423.929       316.8342 4582.741       323.2960 427.9614 12.63726 392.8852 14.05349 35.07623       18.89976 
1 1 1 -7  26 21 o 193.3060 9.504723 1104.401       107.4241 1047.514       134.9500 1202.800       177.4846 187.7427 12.32445 200.5690 15.20171 -12.82631      19.56997 
1 1 1 -7  26 22 o 416.9368 8.306051 5120.484       203.1026 4986.908       293.0057 5244.024       281.7837 410.2275 12.19222 420.9456 11.42460 -10.71814      16.70844 
1 1 1 -7  26 23 o 254.6217 8.766913 1913.871       130.7207 1676.852       171.7723 2240.029       201.5000 237.5146 12.37406 274.5580 12.54700 -37.04337      17.62228 
1 1 1 -7  26 24 o 94.54297 18.58422 277.8558       99.36896 240.5977       129.9381 330.3392       154.2187 87.24542 24.43013 101.6153 25.82715 -14.36987      35.55099 
1 1 1 -7  26 25 o 70.43311 20.47057 153.9164       89.57773 143.2706       116.6663 169.2066       139.8176 70.22757 23.79225 76.16764 26.04204 -5.940071      35.27405 
1 1 1 -7  26 26 o 153.1247 11.26835 698.9214       100.4855 709.8270       136.4633 686.0043       148.5167 153.2622 15.39011 150.1002 17.18028 3.162003       23.06550 
1 1 1 -7  26 27 o 161.8711 27.93066 843.7438       255.5775 0.000000       0.000000 843.7438       255.5775 ?        ?        161.8711 27.93066 0.000000       27.93066 
1 1 1 -7  26 28 o 150.3946 12.29235 678.2266       107.4771 0.000000       0.000000 678.2266       107.4771 ?        ?        150.3946 12.29235 0.000000       12.29235 
1 1 1 -7  26 29 o 295.8552 8.733747 2592.614       151.3752 2501.030       597.3369 2598.899       156.4832 266.8230 39.35195 296.1151 9.021182 -29.29211      40.37273 
1 1 1 -7  26 30 o 84.37223 18.51273 226.6668       89.08339 1732.202       529.5089 182.8130       90.37151 213.7446 43.71610 75.45605 20.07290 138.2885       48.10425 
1 1 1 -7  26 31 o 168.1997 10.10159 846.5651       99.18815 455.7015       484.8570 863.6370       101.3311 112.6727 46.12304 169.8532 10.21956 -57.18053      47.24165 
1 1 1 -7  26 32 f 127.9055 12.12751 496.8720       89.88593 490.1942       490.2011 497.1044       91.43625 112.4281 46.23846 127.8559 12.34747 -15.42781      47.85870 
1 1 1 -7  26 33 o 238.1337 8.671222 1690.524       120.8999 1934.271       544.8102 1677.899       123.9914 215.9192 44.50353 237.1237 8.931889 -21.20448      45.39100 
1 1 1 -7  26 34 o 201.4850 9.463186 1216.326       111.5105 1747.218       495.9355 1188.057       114.4409 205.7128 42.51311 198.9540 9.838462 6.758820       43.63668 
1 1 1 -7  26 35 o 47.87402 19.57991 38.21002       87.28020 385.5021       457.3013 25.08086       88.91469 100.0847 43.07626 46.39702 19.43769 53.68771       47.25874 
1 1 1 -7  26 36 o 190.8765 9.981626 1099.451       111.3506 522.9411       483.1264 1131.793       114.4314 105.1552 44.74179 193.5982 10.11351 -88.44307      45.87059 
1 1 1 -7  26 37 o 69.59893 20.74213 163.6312       91.00498 172.1979       490.4502 163.3257       92.61330 87.78228 40.57108 69.51260 20.97284 18.26968       45.67135 
1 1 1 -7  26 38 o 68.09328 20.46935 157.3933       88.33769 213.9254       111.6755 62.88534       144.3925 78.01997 22.90746 58.53111 24.66077 19.48886       33.65866 
1 1 1 -7  26 39 o 33.72842 16.22044 -117.7135      94.08961 -82.26327      127.9391 -159.4716      138.8558 43.35397 20.26733 40.80903 19.64582 2.544941       28.22628 
1 1 1 -7  26 40 o 186.3293 10.35174 1058.611       112.6769 1156.628       155.9638 951.5964       162.9649 191.8484 13.95712 171.8033 16.37150 20.04510       21.51342 
1 1 1 -7  26 41 o 56.48320 22.28019 87.90831       108.7553 142.8512       154.4984 33.94330       153.1174 66.85059 26.49699 55.82802 24.46541 11.02257       36.06448 
1 1 1 -7  26 42 o 74.33544 25.06271 204.7757       129.4545 357.2706       201.0770 96.82471       169.1796 91.72176 31.23308 62.83274 26.59445 28.88902       41.02159 
1 1 1 -7  26 43 o 121.2613 18.65913 497.4464       128.4503 484.9425       181.0133 510.1296       182.3058 110.6944 27.89716 114.0708 27.56112 -3.376373      39.21565 
1 1 1 -7  27 1  o 255.1106 17.17503 1943.850       255.4690 1943.850       255.4690 0.000000       0.000000 255.1106 17.17503 ?        ?        0.000000       17.17503 
1 1 1 -7  27 2  o 124.1874 19.35955 470.7271       136.4052 26.53905       242.3577 676.6716       165.0245 74.92591 31.77696 149.4064 19.28260 -74.48051      37.16980 
1 1 1 -7  27 3  o 54.01677 17.32125 84.86032       62.12860 50.57252       67.37731 279.5669       160.5588 47.58856 17.85013 94.78891 27.36371 -47.20035      32.67108 
1 1 1 -7  27 4  o 101.2303 12.14433 306.9001       70.66224 297.8281       78.40335 346.1555       163.0916 99.39310 13.82379 104.8732 26.50786 -5.480103      29.89588 
1 1 1 -7  27 5  o 166.0515 8.689049 813.7467       84.32412 815.5328       95.69056 807.5396       178.3835 166.0808 9.868741 163.4748 18.95705 2.605957       21.37199 
1 1 1 -7  27 6  o 219.5161 26.50412 1481.014       334.3179 1481.014       334.3179 0.000000       0.000000 219.5161 26.50412 ?        ?        0.000000       26.50412 
1 1 1 -7  27 7  o 422.0050 7.683446 5237.787       190.1622 5346.440       240.2920 5055.705       311.0657 426.0010 9.617852 413.3093 12.84855 12.69177       16.04956 
1 1 1 -7  27 8  o 101.0756 13.86581 307.9878       80.03023 293.8430       92.55970 349.8821       159.2949 98.10284 16.68433 105.4077 25.94550 -7.304848      30.84697 
1 1 1 -7  27 9  o 144.6120 10.20396 619.5303       85.98573 710.2645       103.3029 414.8758       155.1450 154.6949 11.46795 115.3097 23.73310 39.38515       26.35857 
1 1 1 -7  27 10 o 67.53609 21.29510 135.5330       94.23518 161.1552       97.32173 -249.2972      377.1697 72.63767 21.40011 77.14268 35.62701 -4.505005      41.56018 
1 1 1 -7  27 11 o 469.9099 8.434051 6499.019       232.4349 6388.635       342.3087 6593.455       316.6176 464.6949 12.57183 472.5879 11.42357 -7.892944      16.98673 
1 1 1 -7  27 12 o 126.4406 13.82100 478.8857       100.8215 473.7361       104.2619 553.0759       395.7407 125.6360 14.41069 132.1127 43.80751 -6.476715      46.11688 
1 1 1 -7  27 13 o 332.3969 7.830277 3250.158       152.6457 3189.624       206.5146 3323.060       226.6325 328.6616 10.72837 335.2912 11.54244 -6.629608      15.75836 
1 1 1 -7  27 14 o 351.6187 8.002872 3637.380       165.0321 3360.031       215.6462 4029.424       256.3865 337.2997 10.91560 369.1754 11.85702 -31.87573      16.11642 
1 1 1 -7  27 15 o 77.07866 22.31899 182.6338       106.6650 153.6793       110.7324 555.1909       397.2039 72.09990 23.12488 132.3869 43.88808 -60.28699      49.60769 
1 1 1 -7  27 16 o 260.3507 14.17768 2014.169       215.6615 0.000000       0.000000 2014.169       215.6615 ?        ?        260.3507 14.17768 0.000000       14.17768 
1 1 1 -7  27 17 o 170.3235 11.31617 860.1916       112.3970 856.4805       138.3460 867.3971       192.7730 169.4500 14.04725 169.1479 19.80721 0.3020630      24.28273 
1 1 1 -7  27 18 f 363.1149 8.367907 3881.543       178.2015 3965.297       253.2838 3799.446       250.7652 366.1187 11.81146 358.3356 11.94908 7.783112       16.80153 
1 1 1 -7  27 19 o 157.8862 11.43167 740.4340       105.1364 687.2289       127.0778 855.8605       187.1743 151.4806 14.48019 167.9432 19.35721 -16.46254      24.17390 
1 1 1 -7  27 20 f 397.3009 8.197169 4648.413       191.0002 4514.759       270.2082 4781.883       270.0222 390.4838 11.81258 401.9913 11.46505 -11.50751      16.46161 
1 1 1 -7  27 21 o 217.7659 9.449210 1401.627       120.3929 1353.549       155.4910 1473.595       190.2397 213.3640 12.48056 222.0814 14.68877 -8.717361      19.27497 
1 1 1 -7  27 22 f 232.2473 9.214946 1594.212       125.2653 1593.213       164.9651 1595.574       192.5118 231.4946 12.19369 231.0855 14.27445 0.4090729      18.77354 
1 1 1 -7  27 23 o 107.9426 18.21414 359.5499       111.2068 401.2204       145.2221 300.4686       172.9192 112.8319 22.73234 96.98260 28.51296 15.84932       36.46571 
1 1 1 -7  27 24 o 199.8009 10.05774 1183.629       117.4761 1122.077       155.0796 1266.511       179.9543 193.5952 13.74815 205.3298 15.04826 -11.73460      20.38288 
1 1 1 -7  27 25 o 55.60016 21.18361 69.10470       95.75486 6.309230       124.0548 161.6635       150.6116 52.88990 22.59297 75.83209 26.95587 -22.94219      35.17188 
1 1 1 -7  27 26 o 296.7829 8.175789 2601.717       142.1691 2326.870       186.7454 2980.608       219.2610 279.6884 11.40873 316.4375 11.83556 -36.74915      16.43897 
1 1 1 -7  27 27 o 97.87639 19.10489 301.0602       105.7288 400.7131       147.4933 195.7262       151.6392 111.8317 23.24764 80.16675 27.12515 31.66498       35.72431 
1 1 1 -7  27 28 o 210.1185 12.83191 1325.663       157.3729 0.000000       0.000000 1325.663       157.3729 ?        ?        210.1185 12.83191 0.000000       12.83191 
1 1 1 -7  27 29 o 78.70491 19.30833 198.6545       88.44065 0.000000       0.000000 198.6545       88.44065 ?        ?        78.70491 19.30833 0.000000       19.30833 
1 1 1 -7  27 30 o 187.3166 10.03634 1049.137       109.8534 0.000000       0.000000 1049.137       109.8534 ?        ?        187.3166 10.03634 0.000000       10.03634 
1 1 1 -7  27 31 o 68.38240 19.86584 151.0504       84.38010 247.7527       541.2103 148.6412       85.42474 101.3999 45.13990 67.89399 20.06176 33.50587       49.39721 
1 1 1 -7  27 32 f 51.65349 19.86535 63.46709       84.73441 -9.955483      507.5367 65.57228       85.94058 88.08342 40.90478 52.18592 20.02260 35.89750       45.54235 
1 1 1 -7  27 33 o 179.3431 10.08809 967.0079       105.6793 1101.468       528.4254 961.4061       107.8583 147.5628 50.62230 178.7128 10.33484 -31.14998      51.66649 
1 1 1 -7  27 34 o 200.3461 13.91438 1237.068       162.4757 0.000000       0.000000 1237.068       162.4757 ?        ?        200.3461 13.91438 0.000000       13.91438 
1 1 1 -7  27 35 o 193.9064 9.772528 1133.108       110.7764 1165.105       507.6609 1131.508       113.5118 146.5967 49.63086 193.6304 10.02997 -47.03372      50.63420 
1 1 1 -7  27 36 o 56.76076 20.63742 95.63115       88.85166 181.2554       441.0547 92.00925       90.71141 86.64071 39.45467 56.32603 20.79133 30.31468       44.59765 
1 1 1 -7  27 37 o 99.12540 17.42927 321.3808       97.62750 -120.2285      439.1208 344.3438       100.1336 74.21069 35.51758 102.8008 17.21684 -28.59013      39.47047 
1 1 1 -7  27 38 o 129.0556 20.34409 561.5807       148.8867 964.4662       469.3018 516.4929       156.9969 126.8093 47.20107 121.6772 22.83904 5.132126       52.43628 
1 1 1 -7  27 39 o 106.4826 15.72160 366.2130       95.23161 303.7529       127.5738 444.8215       143.1182 91.73173 23.58368 112.5742 22.46497 -20.84246      32.57092 
1 1 1 -7  27 40 f 89.24078 19.75967 274.0627       100.6855 259.5138       136.6466 291.3439       148.9261 83.07944 25.55775 87.17172 26.65624 -4.092278      36.92904 
1 1 1 -7  27 41 o 49.97971 21.53226 29.47123       114.4785 -37.36151      160.6209 98.47092       163.2041 51.16359 23.49085 62.52908 26.27409 -11.36549      35.24412 
1 1 1 -7  27 42 o 49.17113 21.62900 13.80869       120.6927 -235.9962      174.5747 242.5288       167.0448 42.75489 20.91054 78.44503 28.32836 -35.69014      35.21004 
1 1 1 -7  28 1  o 408.2352 14.96885 4949.049       357.7780 4949.049       357.7780 0.000000       0.000000 408.2352 14.96885 ?        ?        0.000000       14.96885 
1 1 1 -7  28 2  o 188.2430 9.511697 1046.513       104.6689 1046.513       104.6689 0.000000       0.000000 188.2430 9.511697 ?        ?        0.000000       9.511697 
1 1 1 -7  28 3  o 53.40580 17.82059 80.46069       65.46499 89.66364       70.77535 25.94568       172.2568 56.06425 18.52369 64.21703 26.98874 -8.152771      32.73407 
1 1 1 -7  28 4  o 84.30186 16.33605 218.1940       77.85007 218.5526       86.40024 216.6463       179.4872 84.07652 18.06111 86.72701 29.50913 -2.650497      34.59758 
1 1 1 -7  28 5  o 215.1277 7.923506 1363.308       99.79793 1441.153       118.4603 1172.963       185.2362 221.0264 9.158409 198.0632 16.08505 22.96312       18.50960 
1 1 1 -7  28 6  o 201.3781 8.087679 1195.088       95.32401 1225.570       111.7092 1113.437       182.8291 203.7629 9.372993 192.8803 16.31532 10.88254       18.81602 
1 1 1 -7  28 7  o 109.3588 13.08709 358.6947       82.27119 378.4088       93.16788 288.8953       175.3088 112.0886 14.51311 96.42766 28.80099 15.66099       32.25100 
1 1 1 -7  28 8  o 245.7375 21.81203 1827.273       311.0911 1827.273       311.0911 0.000000       0.000000 245.7375 21.81203 ?        ?        0.000000       21.81203 
1 1 1 -7  28 9  o 94.90922 38.83195 139.2860       343.4663 139.2860       343.4663 0.000000       0.000000 94.90922 38.83195 ?        ?        0.000000       38.83195 
1 1 1 -7  28 10 o 80.39515 18.81837 200.5249       87.15086 225.0611       100.5625 126.5010       174.6702 85.04042 20.42112 75.08720 28.61011 9.953217       35.15054 
1 1 1 -7  28 11 o 31.95500 15.38479 -127.9477      85.19919 -83.30249      98.65807 -258.9131      168.9753 38.96265 18.07339 44.47345 21.47519 -5.510792      28.06833 
1 1 1 -7  28 12 o 152.1374 11.75017 687.4949       104.0290 824.6255       126.8369 405.6575       181.8351 166.4643 13.09736 113.2552 27.62615 53.20915       30.57360 
1 1 1 -7  28 13 o 298.9834 9.414002 2635.774       164.8657 2662.379       175.9621 2444.563       471.7270 300.3840 10.00226 281.4339 28.99456 18.95010       30.67131 
1 1 1 -7  28 14 o 274.5013 8.489655 2220.014       136.5094 2061.070       173.8136 2475.872       220.5265 264.0074 11.25160 289.0006 13.04465 -24.99326      17.22677 
1 1 1 -7  28 15 o 53.76670 22.56775 16.78708       120.2043 16.78708       120.2043 0.000000       0.000000 53.76670 22.56775 ?        ?        0.000000       22.56775 
1 1 1 -7  28 16 o 76.16747 20.56455 180.0000       93.99320 142.8087       109.7085 282.6396       182.2542 70.05397 23.05878 95.61088 29.53463 -25.55691      37.47001 
1 1 1 -7  28 17 o 45.49606 19.72571 -11.18911      97.29410 -84.01806      114.1825 181.8409       185.8918 42.74805 19.69218 82.59184 29.87590 -39.84378      35.78201 
1 1 1 -7  28 18 o 182.9705 10.64993 991.9461       113.7881 957.6562       141.7741 1054.022       190.7547 179.1852 13.59239 187.0084 17.59947 -7.823212      22.23723 
1 1 1 -7  28 19 o 451.8643 8.746431 6017.859       231.7872 6061.487       342.6253 5981.044       314.7404 451.9623 12.93939 449.3394 11.95400 2.622955       17.61607 
1 1 1 -7  28 20 o 259.4333 13.51059 2005.013       204.8573 0.000000       0.000000 2005.013       204.8573 ?        ?        259.4333 13.51059 0.000000       13.51059 
1 1 1 -7  28 21 o 201.4707 10.08770 1202.635       118.8149 1222.948       152.5051 1171.264       189.5232 202.5121 12.90772 197.1153 16.54685 5.396805       20.98588 
1 1 1 -7  28 22 f 238.4648 9.584379 1682.835       133.7682 1744.838       181.0559 1608.310       198.4988 241.9699 12.80411 231.6950 14.68354 10.27495       19.48208 
1 1 1 -7  28 23 o 118.0907 15.94336 424.9869       107.6014 375.4489       137.3114 503.8112       173.2078 109.0382 22.22702 126.0042 24.31953 -16.96605      32.94662 
1 1 1 -7  28 24 o 125.4113 15.70804 478.5070       113.0065 498.3273       148.3810 451.1327       174.3790 126.4215 20.73067 118.3960 25.84075 8.025475       33.12861 
1 1 1 -7  28 25 o 121.3743 15.62843 449.3741       108.6690 392.9889       144.8183 522.0383       164.3997 111.0060 23.00135 128.5057 22.64045 -17.49970      32.27464 
1 1 1 -7  28 26 o 275.4593 8.362580 2244.575       134.9413 2092.729       182.2352 2428.902       200.7817 264.8387 11.76211 285.2448 12.02907 -20.40610      16.82396 
1 1 1 -7  28 27 o 244.2689 8.527582 1768.141       121.9770 1812.598       169.5104 1720.402       175.6567 246.1678 11.77540 239.4916 12.54995 6.676178       17.20934 
1 1 1 -7  28 28 o 101.3333 22.61606 334.9791       130.9954 0.000000       0.000000 334.9791       130.9954 ?        ?        101.3333 22.61606 0.000000       22.61606 
1 1 1 -7  28 29 o 300.7090 9.004786 2690.701       158.6284 0.000000       0.000000 2690.701       158.6284 ?        ?        300.7090 9.004786 0.000000       9.004786 
1 1 1 -7  28 30 o 142.0405 11.73480 610.7597       96.88343 0.000000       0.000000 610.7597       96.88343 ?        ?        142.0405 11.73480 0.000000       11.73480 
1 1 1 -7  28 31 o 223.7317 10.13038 1501.608       132.5792 0.000000       0.000000 1501.608       132.5792 ?        ?        223.7317 10.13038 0.000000       10.13038 
1 1 1 -7  28 32 o 168.0910 10.57726 851.9862       103.7434 0.000000       0.000000 851.9862       103.7434 ?        ?        168.0910 10.57726 0.000000       10.57726 
1 1 1 -7  28 33 o 107.5998 15.27078 364.3941       93.66244 -358.9955      524.0620 388.2632       95.19515 76.20365 37.03750 111.2647 14.96767 -35.06107      39.94756 
1 1 1 -7  28 34 o 119.5694 20.39459 473.9753       137.8898 0.000000       0.000000 473.9753       137.8898 ?        ?        119.5694 20.39459 0.000000       20.39459 
1 1 1 -7  28 35 o 105.8879 15.37752 356.2766       92.70567 137.2106       501.0267 364.0426       94.33459 87.08141 40.50816 106.9995 15.48223 -19.91809      43.36600 
1 1 1 -7  28 36 o 42.26363 18.65097 -7.889568      90.42849 -143.6652      488.4666 -3.071112      92.01908 76.31829 36.76735 43.13509 18.93272 33.18320       41.35560 
1 1 1 -7  28 37 o 59.81433 21.85356 111.3746       99.80566 -3.578115      474.8739 116.6870       102.0858 78.61001 37.43242 60.83728 22.12082 17.77272       43.48008 
1 1 1 -7  28 38 o 129.7695 19.36807 564.2769       142.8985 1198.277       481.9062 503.1559       149.6281 140.2664 48.33446 120.3108 22.01706 19.95558       53.11281 
1 1 1 -7  28 39 o 46.75460 20.00894 23.42028       97.62493 17.16046       126.4800 32.64619       153.5486 50.80136 22.24987 55.89590 24.49737 -5.094540      33.09347 
1 1 1 -7  28 40 o 116.0503 16.65266 441.9163       110.0964 389.6815       142.1953 520.0995       173.9650 103.1759 23.95984 117.8006 25.88830 -14.62479      35.27433 
1 1 1 -7  28 41 o 81.33041 22.76628 241.4961       112.8614 203.1971       153.6996 286.3103       166.2596 73.65734 27.08536 84.44346 28.40265 -10.78612      39.24701 
1 1 1 -7  29 1  o 497.4733 15.11434 7348.235       440.4590 0.000000       0.000000 7348.235       440.4590 ?        ?        497.4733 15.11434 0.000000       15.11434 
1 1 1 -7  29 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  29 3  o 82.71504 17.56051 211.2710       82.55020 213.7184       90.72232 199.4926       199.0215 82.99632 19.04315 86.18197 30.94682 -3.185646      36.33659 
1 1 1 -7  29 4  o 408.8033 7.842551 4916.040       188.0279 5106.983       236.8928 4590.918       309.1161 416.3202 9.702282 393.6454 13.40913 22.67487       16.55110 
1 1 1 -7  29 5  o 221.9122 13.25385 1462.073       171.7080 1368.404       280.7023 1518.079       217.0542 212.0528 22.93563 225.3769 16.53644 -13.32408      28.27538 
1 1 1 -7  29 6  o 38.21180 17.17872 -37.86704      80.47622 -61.46180      89.55376 61.13782       183.4444 38.41001 17.60000 69.33865 28.37556 -30.92864      33.39060 
1 1 1 -7  29 7  o 149.2068 11.48693 661.0259       99.74461 748.7393       116.5845 421.4798       192.6649 158.6573 12.63367 115.3035 28.62432 43.35384       31.28836 
1 1 1 -7  29 8  o 24.53561 12.42756 -316.9107      89.68731 -320.4382      99.27081 -301.2417      209.2222 26.74572 13.49078 50.14761 24.13481 -23.40189      27.64942 
1 1 1 -7  29 9  o 287.9731 8.545016 2442.970       144.1566 2698.676       174.5338 1894.071       255.7148 302.4578 9.852448 251.6275 17.43578 50.83025       20.02691 
1 1 1 -7  29 10 o 423.8149 15.32315 5337.164       380.2413 4817.509       464.6844 6390.218       661.4943 400.8448 19.82811 459.1212 24.65723 -58.27637      31.64069 
1 1 1 -7  29 11 o 178.0297 10.53336 937.9851       109.4875 1003.526       132.5497 797.2303       194.2461 183.8563 12.36466 161.7925 20.96357 22.06384       24.33837 
1 1 1 -7  29 12 o 81.19672 35.40403 -21.83381      317.1387 -184.7793      460.3378 125.3680       437.5343 89.30335 40.52612 102.6834 43.07511 -13.38010      59.14247 
1 1 1 -7  29 13 o 258.1643 8.486655 1964.170       128.3195 1912.708       156.2783 2070.664       224.8104 254.4199 10.49617 263.8166 14.58672 -9.396683      17.97058 
1 1 1 -7  29 14 o 182.3172 10.16578 983.4077       108.2669 810.8423       128.0491 1416.099       202.7629 164.9326 13.35198 217.6190 15.99880 -52.68646      20.83836 
1 1 1 -7  29 15 o 168.6333 10.97786 843.3743       107.9803 650.5121       130.0005 1272.488       193.9133 147.1592 15.28526 206.1020 16.17204 -58.94279      22.25251 
1 1 1 -7  29 16 o 241.9960 9.185817 1728.806       130.1329 1643.553       160.8313 1890.440       221.4524 235.4559 11.68340 251.6843 15.07190 -16.22833      19.06997 
1 1 1 -7  29 17 o 190.9577 10.13965 1079.544       113.1491 1104.464       139.8546 1032.326       192.5147 192.6976 12.44163 184.8406 17.98607 7.856964       21.86991 
1 1 1 -7  29 18 o 146.9200 12.79134 645.0505       109.1191 498.8231       130.3421 987.6519       199.5101 127.8222 17.87522 180.2308 19.16863 -52.40862      26.20992 
1 1 1 -7  29 19 o 187.2530 10.76969 1040.698       117.7732 896.5402       144.8016 1322.445       202.4340 172.9082 14.41019 209.5370 16.60876 -36.62875      21.98874 
1 1 1 -7  29 20 o 240.7284 9.472578 1714.287       133.4742 1682.443       172.2273 1762.173       211.2017 237.7405 12.39512 242.5235 14.92110 -4.782944      19.39790 
1 1 1 -7  29 21 o 191.0641 10.66655 1084.171       119.0491 1133.428       149.0455 997.3618       197.8638 194.7470 13.12628 180.7701 18.94440 13.97694       23.04755 
1 1 1 -7  29 22 o 202.3861 10.67980 1216.693       126.3149 1251.353       164.4108 1166.761       197.3350 204.3920 13.79647 196.1368 17.33336 8.255173       22.15374 
1 1 1 -7  29 23 o 166.4707 12.25010 828.6354       118.7615 801.4039       151.4335 872.1434       191.4127 162.5648 16.09448 168.2963 19.76959 -5.731461      25.49253 
1 1 1 -7  29 24 o 208.7536 10.50704 1295.962       128.2231 1332.584       174.1273 1252.580       189.5186 210.4960 14.18786 203.3532 16.02026 7.142792       21.39963 
1 1 1 -7  29 25 o 47.04393 20.79745 -25.31393      112.9193 -25.59291      143.4058 -24.85872      183.1829 53.20420 23.48280 60.17387 26.55054 -6.969677      35.44535 
1 1 1 -7  29 26 o 135.1674 12.90279 552.4121       101.0440 485.7859       135.0627 637.1035       152.2764 124.4517 19.11507 143.0718 18.58689 -18.62008      26.66192 
1 1 1 -7  29 27 o 104.5664 15.10119 337.9482       89.92947 342.2341       121.0867 332.6763       134.2954 103.0898 20.74673 100.6204 23.22783 2.469322       31.14416 
1 1 1 -7  29 28 o 39.94262 18.11323 -42.57631      91.76142 -66.01060      127.7741 -17.61819      131.8630 46.05236 21.07218 50.90944 22.49181 -4.857082      30.82074 
1 1 1 -7  29 29 o 140.5594 16.57892 616.8019       134.0416 0.000000       0.000000 616.8019       134.0416 ?        ?        140.5594 16.57892 0.000000       16.57892 
1 1 1 -7  29 30 o 167.7152 10.42035 846.4118       101.9893 0.000000       0.000000 846.4118       101.9893 ?        ?        167.7152 10.42035 0.000000       10.42035 
1 1 1 -7  29 31 f 85.67635 18.19095 238.3419       88.57613 0.000000       0.000000 238.3419       88.57613 ?        ?        85.67635 18.19095 0.000000       18.19095 
1 1 1 -7  29 32 o 44.33450 19.07616 7.593029       89.63489 0.000000       0.000000 7.593029       89.63489 ?        ?        44.33450 19.07616 0.000000       19.07616 
1 1 1 -7  29 33 o 41.38610 18.38373 -16.12721      89.27221 0.000000       0.000000 -16.12721      89.27221 ?        ?        41.38610 18.38373 0.000000       18.38373 
1 1 1 -7  29 34 o 70.58123 25.02946 165.9930       129.7847 0.000000       0.000000 165.9930       129.7847 ?        ?        70.58123 25.02946 0.000000       25.02946 
1 1 1 -7  29 35 o 80.97099 19.73578 222.1839       92.85432 -0.9638059     505.5914 229.9732       94.46103 81.25086 38.67134 82.37057 19.79952 -1.119713      43.44530 
1 1 1 -7  29 36 o 51.16909 20.73923 56.07252       96.87118 -240.6872      524.1323 66.56810       98.56933 74.54700 36.41060 52.87103 21.09624 21.67597       42.08067 
1 1 1 -7  29 37 o 215.0670 10.34199 1408.770       130.0629 596.8434       520.4030 1462.865       134.3258 100.2334 44.46241 219.0515 10.48639 -118.8181      45.68227 
1 1 1 -7  29 38 o 91.37041 20.80456 290.7695       108.9781 -408.8586      515.4197 323.5101       111.4989 68.81425 34.08652 96.89593 20.27298 -28.08168      39.65961 
1 1 1 -7  29 39 o 62.55038 22.86865 129.9832       109.3205 72.15752       132.5092 253.2196       193.4439 56.95235 23.78508 79.90087 30.18588 -22.94852      38.43068 
1 1 1 -7  29 40 o 35.07587 17.04926 -155.8170      111.1019 -161.0845      139.9302 -146.8324      182.7504 40.43456 19.52924 47.95109 22.93972 -7.516525      30.12677 
1 1 1 -7  30 1  o 65.61539 30.85737 -293.0110      304.1883 -293.0110      304.1883 0.000000       0.000000 65.61539 30.85737 ?        ?        0.000000       30.85737 
1 1 1 -7  30 2  o 383.2130 9.497869 4325.957       213.4602 4536.497       265.6570 3942.352       358.5876 391.8284 11.57313 363.6796 16.85811 28.14886       20.44831 
1 1 1 -7  30 3  o 322.9886 8.107615 3071.229       153.4573 3081.796       179.2269 3042.204       297.0439 323.3136 9.462288 319.6721 15.89387 3.641510       18.49730 
1 1 1 -7  30 4  o 239.5953 8.772503 1692.182       123.0604 1623.415       140.9579 1912.572       252.3454 234.4403 10.27692 252.9589 17.11031 -18.51859      19.95940 
1 1 1 -7  30 5  o 360.4649 8.014440 3822.677       169.4286 3816.551       201.6265 3837.395       312.5367 359.8018 9.563547 359.4341 14.85828 0.3677368      17.67003 
1 1 1 -7  30 6  o 232.9282 9.120747 1600.206       124.3548 1509.278       142.6325 1888.352       253.9075 225.9387 10.79532 251.2588 17.33702 -25.32007      20.42330 
1 1 1 -7  30 7  o 288.5125 8.530802 2452.264       144.1876 2393.097       167.7869 2619.342       281.9527 284.7487 10.06304 296.4050 16.28215 -11.65631      19.14087 
1 1 1 -7  30 8  o 619.0227 9.838854 11293.84       357.1919 11257.54       437.5345 11366.36       618.4892 617.2309 12.08688 617.6307 17.09112 -0.3997803     20.93320 
1 1 1 -7  30 9  o 35.96418 17.24589 -147.0255      104.6364 -147.0255      104.6364 0.000000       0.000000 35.96418 17.24589 ?        ?        0.000000       17.24589 
1 1 1 -7  30 10 o 237.3657 8.690921 1661.211       120.7815 1740.330       146.5990 1494.010       213.1127 242.6922 10.32329 223.5098 16.37139 19.18242       19.35439 
1 1 1 -7  30 11 o 59.85334 21.32231 93.71416       94.28472 113.1075       107.3702 28.38040       197.0726 64.80271 22.78484 68.23080 28.78231 -3.428093      36.70927 
1 1 1 -7  30 12 o 442.4532 9.763317 5772.821       253.3467 5845.260       278.5812 5426.438       609.1769 444.9778 10.67488 421.9988 24.72226 22.97903       26.92848 
1 1 1 -7  30 13 o 660.9028 9.683107 12882.21       375.3210 13913.30       541.6857 11930.14       520.5153 685.0034 13.48354 634.0361 13.99810 50.96735       19.43586 
1 1 1 -7  30 14 o 388.1870 7.910233 4436.489       180.0863 4304.352       233.5711 4630.182       282.7903 381.6569 10.44489 395.2976 12.21268 -13.64066      16.07001 
1 1 1 -7  30 15 o 65.49704 21.93686 123.4005       99.18718 134.7186       115.4511 91.50319       193.8150 69.02454 23.66242 73.28616 29.46587 -4.261627      37.79085 
1 1 1 -7  30 16 o 111.4529 17.46335 380.5898       110.4019 344.7613       126.1758 497.6119       228.0321 104.9839 21.22349 123.6173 31.39806 -18.63344      37.89822 
1 1 1 -7  30 17 o 140.5011 14.03142 593.1845       114.0750 523.2347       137.2702 749.3188       205.0844 130.7063 18.41721 155.1669 23.25155 -24.46054      29.66190 
1 1 1 -7  30 18 o 211.4420 9.754968 1323.824       120.6412 1216.698       145.9048 1555.361       214.5023 202.0849 12.37003 227.3697 16.19199 -25.28476      20.37641 
1 1 1 -7  30 19 o 135.4981 14.56103 553.9898       113.8978 616.1069       135.8598 407.0800       208.9349 142.4076 16.57650 111.5207 30.88669 30.88692       35.05379 
1 1 1 -7  30 20 o 92.21133 21.23044 268.9548       112.4377 191.2479       139.2692 414.4149       190.5448 79.32069 25.97337 112.7224 28.73948 -33.40170      38.73724 
1 1 1 -7  30 21 o 412.0559 8.856875 5015.532       214.0362 5426.960       322.4711 4691.549       286.1578 426.6935 12.90100 396.9965 12.30532 29.69702       17.82854 
1 1 1 -7  30 22 o 221.0084 10.40835 1451.233       134.5301 1326.774       171.9513 1647.635       216.0051 210.1706 14.03064 233.5636 15.86329 -23.39294      21.17789 
1 1 1 -7  30 23 o 152.6728 14.15322 704.3359       125.2839 568.4780       164.4898 892.0363       193.3432 134.3499 21.60884 169.7472 19.79210 -35.39725      29.30305 
1 1 1 -7  30 24 o 231.7173 9.544478 1595.001       129.4287 1663.333       172.8981 1507.901       195.2048 235.5396 12.56172 223.1878 15.00026 12.35182       19.56540 
1 1 1 -7  30 25 o 103.9932 18.14484 340.3327       106.6416 244.3365       142.4843 462.5937       160.7993 86.24240 26.01237 119.1034 23.85261 -32.86102      35.29292 
1 1 1 -7  30 26 o 139.9789 12.42442 593.2418       100.9390 536.0745       134.0738 668.0396       153.3609 130.8029 17.95031 146.0601 18.30413 -15.25720      25.63698 
1 1 1 -7  30 27 o 154.2668 10.80068 715.8276       97.10055 622.0765       126.6738 849.3983       151.2007 141.8806 15.47396 165.8780 15.73025 -23.99738      22.06545 
1 1 1 -7  30 28 o 192.3835 9.319456 1106.278       104.8371 988.3118       139.0911 1261.450       159.5246 180.0612 13.26441 203.4283 13.44647 -23.36716      18.88789 
1 1 1 -7  30 29 o 51.72564 22.02159 22.40094       117.1612 0.000000       0.000000 22.40094       117.1612 ?        ?        51.72564 22.02159 0.000000       22.02159 
1 1 1 -7  30 30 o 208.2554 9.750091 1301.774       118.7540 0.000000       0.000000 1301.774       118.7540 ?        ?        208.2554 9.750091 0.000000       9.750091 
1 1 1 -7  30 31 o 71.50531 20.62233 170.6322       91.23358 0.000000       0.000000 170.6322       91.23358 ?        ?        71.50531 20.62233 0.000000       20.62233 
1 1 1 -7  30 32 o 133.0735 13.24061 548.1470       101.9660 0.000000       0.000000 548.1470       101.9660 ?        ?        133.0735 13.24061 0.000000       13.24061 
1 1 1 -7  30 33 o 54.94788 20.62521 84.31314       89.98947 0.000000       0.000000 84.31314       89.98947 ?        ?        54.94788 20.62521 0.000000       20.62521 
1 1 1 -7  30 34 o 85.48270 19.52325 246.6209       95.72318 0.000000       0.000000 246.6209       95.72318 ?        ?        85.48270 19.52325 0.000000       19.52325 
1 1 1 -7  30 35 o 74.87933 27.09356 199.3770       152.8934 0.000000       0.000000 199.3770       152.8934 ?        ?        74.87933 27.09356 0.000000       27.09356 
1 1 1 -7  30 36 o 216.8925 10.63251 1435.794       134.8358 0.000000       0.000000 1435.794       134.8358 ?        ?        216.8925 10.63251 0.000000       10.63251 
1 1 1 -7  30 37 o 41.66349 19.05453 -40.16200      104.3065 0.000000       0.000000 -40.16200      104.3065 ?        ?        41.66349 19.05453 0.000000       19.05453 
1 1 1 -7  30 38 o 40.82664 18.88774 -54.27002      106.6815 -123.8521      505.3117 -51.02394      109.1416 73.60711 35.90775 41.58355 19.19047 32.02356       40.71413 
1 1 1 -7  30 39 o 49.66230 21.21205 34.42539       109.3331 96.16293       132.1991 -99.19949      194.4901 59.48049 24.18350 51.91895 24.49541 7.561543       34.42189 
1 1 1 -7  31 1  o 349.7721 8.281213 3600.550       169.8750 3699.446       193.6800 3270.788       353.6681 354.2491 9.330473 330.5671 18.31413 23.68201       20.55396 
1 1 1 -7  31 2  o 41.53154 18.65400 -42.85873      94.64899 -14.86507      100.3114 -270.0251      285.7541 45.86728 19.95665 63.84415 29.98774 -17.97686      36.02127 
1 1 1 -7  31 3  o 37.25090 17.41788 -90.87457      94.57475 -57.49876      102.0134 -295.0147      252.2933 42.03201 19.07560 57.60644 27.38926 -15.57443      33.37739 
1 1 1 -7  31 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  31 5  o 28.15961 13.97548 -211.3717      88.23280 -214.2021      96.67287 -197.2527      215.9168 30.25014 14.94371 56.16815 26.28102 -25.91801      30.23254 
1 1 1 -7  31 6  o 252.9838 8.963998 1887.476       132.7878 2046.834       157.0723 1488.291       248.5990 263.2447 10.19321 222.2206 19.26513 41.02402       21.79557 
1 1 1 -7  31 7  o 128.8528 38.47960 539.1121       312.9511 539.1121       312.9511 0.000000       0.000000 128.8528 38.47960 ?        ?        0.000000       38.47960 
1 1 1 -7  31 8  o 270.6247 8.335845 2158.343       132.1446 2180.611       154.4355 2097.473       255.3346 271.7792 9.704610 264.8545 16.52037 6.924713       19.15991 
1 1 1 -7  31 9  o 71.77843 21.33171 157.6189       96.35834 126.0702       106.4995 300.0085       226.2541 66.81072 22.73076 99.52943 33.12759 -32.71870      40.17617 
1 1 1 -7  31 10 o 307.1263 8.023258 2778.938       144.3930 2736.689       179.5736 2856.226       242.8773 304.3730 10.07360 310.0950 13.38646 -5.721985      16.75335 
1 1 1 -7  31 11 f 291.6986 8.835143 2509.844       150.9724 2591.047       193.9915 2385.124       240.4156 295.8607 11.20031 282.9305 14.53754 12.93018       18.35176 
1 1 1 -7  31 12 o 218.7133 9.438954 1413.638       120.7886 1476.459       144.6513 1268.938       219.5362 223.2064 11.08475 204.9310 18.46399 18.27538       21.53580 
1 1 1 -7  31 13 o 330.3001 8.052630 3213.823       155.9901 3413.892       200.9885 2910.759       247.3709 339.8371 10.09559 312.7678 13.51770 27.06924       16.87155 
1 1 1 -7  31 14 o 386.1219 9.460967 4401.142       214.2449 4444.737       235.6565 4193.417       514.4066 387.6336 10.37524 369.7084 23.85175 17.92520       26.01061 
1 1 1 -7  31 15 o 317.5856 8.364388 2975.821       155.6565 2990.095       200.0898 2953.940       247.7238 317.7144 10.75385 314.8959 13.44469 2.818451       17.21642 
1 1 1 -7  31 16 o 335.3778 8.569785 3320.193       168.4220 3487.092       234.5253 3142.455       242.0208 342.7453 11.68431 324.9791 12.72292 17.76620       17.27414 
1 1 1 -7  31 17 o 156.9685 13.05582 737.8242       119.1026 701.2239       143.2083 819.9329       214.4969 152.1143 16.30690 162.1263 23.22108 -10.01201      28.37488 
1 1 1 -7  31 18 o 175.7329 11.49473 919.9487       117.8181 1053.164       143.7071 646.8318       205.7670 187.6428 13.14166 142.6427 25.53427 45.00011       28.71763 
1 1 1 -7  31 19 o 54.76134 22.19157 44.54788       110.8931 51.78960       131.7555 26.95614       205.3535 59.30122 24.13088 68.26620 29.11200 -8.964977      37.81281 
1 1 1 -7  31 20 o 308.8581 8.968775 2822.149       162.2865 2867.082       219.5195 2767.993       240.9965 310.1990 12.08967 304.1693 13.54364 6.029694       18.15462 
1 1 1 -7  31 21 o 95.45728 22.13386 291.6758       121.4986 302.6979       151.8865 272.0904       202.4665 96.39174 26.19107 92.79913 31.34339 3.592606       40.84581 
1 1 1 -7  31 22 o 39.76588 18.57878 -94.69160      107.2437 -116.7998      132.2696 -52.27082      183.2197 43.93672 20.56177 58.10496 26.03713 -14.16824      33.17708 
1 1 1 -7  31 23 o 77.93269 22.50320 195.3800       108.5732 190.1412       138.1473 203.8438       175.5929 77.91857 25.88448 81.88921 29.10601 -3.970642      38.95082 
1 1 1 -7  31 24 o 201.9267 9.978714 1216.696       117.8071 1182.341       150.6362 1270.798       189.0363 197.8375 13.05583 203.6950 15.95106 -5.857498      20.61288 
1 1 1 -7  31 25 o 380.5349 8.435572 4298.185       188.2607 4215.274       267.6676 4379.351       264.8365 374.1958 12.21317 381.7093 11.84460 -7.513519      17.01341 
1 1 1 -7  31 26 o 94.61053 17.64331 285.1955       94.29680 342.1578       121.6036 199.2829       149.3418 102.3608 20.96235 78.41116 26.91127 23.94964       34.11212 
1 1 1 -7  31 27 o 85.72220 18.49094 237.8617       90.22681 277.1360       117.0549 180.3667       141.6283 91.16719 22.12063 74.99137 26.18320 16.17582       34.27656 
1 1 1 -7  31 28 o 156.2914 10.77923 737.2945       98.19856 641.8694       128.7319 870.0966       151.8650 143.5848 15.53426 167.3075 15.65912 -23.72270      22.05722 
1 1 1 -7  31 29 o 79.18112 25.56705 214.1096       135.2017 0.000000       0.000000 214.1096       135.2017 ?        ?        79.18112 25.56705 0.000000       25.56705 
1 1 1 -7  31 30 o 135.8566 13.30291 570.0953       104.6361 0.000000       0.000000 570.0953       104.6361 ?        ?        135.8566 13.30291 0.000000       13.30291 
1 1 1 -7  31 31 o 97.05811 17.89540 307.2231       98.11268 0.000000       0.000000 307.2231       98.11268 ?        ?        97.05811 17.89540 0.000000       17.89540 
1 1 1 -7  31 32 o 58.68175 20.93153 105.9180       90.88840 0.000000       0.000000 105.9180       90.88840 ?        ?        58.68175 20.93153 0.000000       20.93153 
1 1 1 -7  31 33 o 82.52701 20.60278 233.4228       99.40328 0.000000       0.000000 233.4228       99.40328 ?        ?        82.52701 20.60278 0.000000       20.60278 
1 1 1 -7  31 34 o 125.6580 15.15180 502.8349       109.4107 0.000000       0.000000 502.8349       109.4107 ?        ?        125.6580 15.15180 0.000000       15.15180 
1 1 1 -7  31 35 o 58.30933 25.13873 53.02120       156.2534 0.000000       0.000000 53.02120       156.2534 ?        ?        58.30933 25.13873 0.000000       25.13873 
1 1 1 -7  31 36 o 54.30762 24.26314 6.307176       157.8372 0.000000       0.000000 6.307176       157.8372 ?        ?        54.30762 24.26314 0.000000       24.26314 
1 1 1 -7  31 37 o 83.43029 22.63324 252.1418       113.5309 0.000000       0.000000 252.1418       113.5309 ?        ?        83.43029 22.63324 0.000000       22.63324 
1 1 1 -7  31 38 o 76.92221 23.06936 216.3338       112.3015 0.000000       0.000000 216.3338       112.3015 ?        ?        76.92221 23.06936 0.000000       23.06936 
1 1 1 -7  32 1  o 207.1447 11.45671 1271.939       138.6402 1271.939       138.6402 0.000000       0.000000 207.1447 11.45671 ?        ?        0.000000       11.45671 
1 1 1 -7  32 2  o 236.7732 8.787552 1653.830       121.8139 1662.735       133.7563 1610.536       294.9246 237.2682 9.632253 230.0173 22.13552 7.250916       24.14045 
1 1 1 -7  32 3  o 237.5293 8.809135 1664.504       122.5033 1668.487       135.0921 1646.075       290.6143 237.6592 9.712719 232.7629 21.53290 4.896332       23.62208 
1 1 1 -7  32 4  o 319.7961 8.200235 3013.282       153.6709 3109.629       180.7837 2762.377       291.7394 324.6074 9.506451 303.9926 16.42470 20.61481       18.97744 
1 1 1 -7  32 5  f 66.22129 21.74188 127.8296       97.55952 113.8799       106.6124 199.6622       241.9282 64.74644 22.70906 89.54684 33.77351 -24.80040      40.69830 
1 1 1 -7  32 6  o 272.9448 8.673643 2197.188       138.6677 2230.128       163.6460 2113.306       261.1379 274.6903 10.17567 265.5698 16.85338 9.120544       19.68707 
1 1 1 -7  32 7  o 82.24962 19.60408 211.1827       93.22081 192.6591       102.4872 299.9462       224.3488 78.61942 21.57690 99.20831 32.98690 -20.58889      39.41698 
1 1 1 -7  32 8  o 198.1039 9.654147 1160.644       111.8273 1167.823       125.8180 1133.644       244.0090 198.4972 10.84906 192.4139 22.01924 6.083298       24.54687 
1 1 1 -7  32 9  o 489.8741 8.688458 7073.661       249.6191 7066.435       304.7472 7088.393       435.1436 488.9965 10.62633 487.5450 15.23705 1.451538       18.57651 
1 1 1 -7  32 10 o 172.1349 11.30811 880.5587       113.5266 987.2609       131.4008 566.4324       225.4568 182.0767 12.37894 132.4750 29.74856 49.60162       32.22134 
1 1 1 -7  32 11 o 112.7823 16.24723 387.6635       104.3699 353.2636       118.4822 506.8132       220.5063 106.6637 19.66458 124.8758 30.39873 -18.21205      36.20467 
1 1 1 -7  32 12 o 178.1474 10.85191 942.5378       112.8421 798.9795       129.3075 1401.012       231.0823 163.3490 13.62148 215.0034 18.50603 -51.65443      22.97864 
1 1 1 -7  32 13 o 309.8159 8.222078 2831.968       149.2629 2951.969       189.4177 2635.378       242.4423 315.7882 10.24116 297.1520 13.95061 18.63614       17.30610 
1 1 1 -7  32 14 o 192.7269 10.18091 1101.610       114.6664 1172.062       136.5997 933.5254       210.9924 198.4360 11.79074 174.0911 21.09502 24.34482       24.16654 
1 1 1 -7  32 15 o 84.60577 21.02686 226.1895       103.8789 254.4250       120.3464 143.6738       205.7328 89.46864 22.85566 79.31089 30.83161 10.15775       38.37928 
1 1 1 -7  32 16 o 220.3916 10.94156 1443.045       140.9823 1348.793       149.3264 2216.406       427.7423 212.7685 12.01565 264.6273 27.98459 -51.85889      30.45510 
1 1 1 -7  32 17 o 54.84889 25.24493 -118.3001      187.0910 -478.5076      434.4333 -36.28339      207.2993 73.32487 35.15586 63.68132 28.16454 9.643547       45.04638 
1 1 1 -7  32 18 o 258.3240 9.649809 1977.807       145.9385 2013.462       179.7570 1908.861       249.9616 259.9589 11.82139 250.9529 17.08553 9.005997       20.77644 
1 1 1 -7  32 19 o 364.8028 8.997872 3936.645       192.5079 4024.534       264.5434 3837.717       280.6660 367.2749 12.29895 358.0719 13.38858 9.203064       18.18016 
1 1 1 -7  32 20 o 39.89125 18.87855 -126.9707      117.1818 -200.5915      140.0692 44.72810       213.9074 40.73143 19.63940 70.13309 29.80327 -29.40165      35.69231 
1 1 1 -7  32 21 o 117.6243 17.50235 429.9905       117.0652 446.5953       146.1889 400.3104       195.4482 118.1624 21.90155 108.7141 29.78102 9.448326       36.96738 
1 1 1 -7  32 22 f 151.0108 12.51385 688.5504       109.8337 690.9973       135.9856 683.9588       186.2813 150.0708 15.68183 146.0496 22.46682 4.021118       27.39850 
1 1 1 -7  32 23 o 130.9830 14.70573 526.8004       111.0183 457.5237       138.1891 652.8997       186.4391 119.5047 20.45172 141.6620 23.24611 -22.15737      30.96214 
1 1 1 -7  32 24 o 126.3891 14.37306 491.3799       104.6489 467.7516       128.5003 537.9120       180.3286 121.4064 18.64224 126.7430 25.14789 -5.336624      31.30415 
1 1 1 -7  32 25 o 65.83946 21.75256 136.4723       97.59986 282.7846       122.1562 -121.7985      162.2978 91.98885 22.76685 48.64346 22.76836 43.34539       32.19825 
1 1 1 -7  32 26 o 46.94001 19.46978 28.30973       87.91661 -53.89489      111.8909 160.9516       142.1304 43.35477 19.79268 72.13844 26.11967 -28.78367      32.77175 
1 1 1 -7  32 27 o 92.84213 17.50089 276.9235       91.79771 311.7809       117.6376 222.6462       146.7939 96.83511 21.29453 80.85101 26.67568 15.98411       34.13282 
1 1 1 -7  32 28 o 198.5508 9.351491 1182.561       108.5878 1257.991       147.5159 1093.348       160.4281 203.0662 12.44635 187.8427 14.67897 15.22343       19.24536 
1 1 1 -7  32 29 o 123.7704 20.04880 504.5731       140.5569 0.000000       0.000000 504.5731       140.5569 ?        ?        123.7704 20.04880 0.000000       20.04880 
1 1 1 -7  32 30 o 98.16605 18.65128 316.9690       103.4545 0.000000       0.000000 316.9690       103.4545 ?        ?        98.16605 18.65128 0.000000       18.65128 
1 1 1 -7  32 31 o 80.72217 20.58875 222.1187       97.76469 0.000000       0.000000 222.1187       97.76469 ?        ?        80.72217 20.58875 0.000000       20.58875 
1 1 1 -7  32 32 o 70.11446 21.92341 169.0546       100.0850 0.000000       0.000000 169.0546       100.0850 ?        ?        70.11446 21.92341 0.000000       21.92341 
1 1 1 -7  32 33 o 68.31606 22.24014 160.8101       102.1833 0.000000       0.000000 160.8101       102.1833 ?        ?        68.31606 22.24014 0.000000       22.24014 
1 1 1 -7  32 34 o 116.9872 16.35591 444.1118       109.1556 0.000000       0.000000 444.1118       109.1556 ?        ?        116.9872 16.35591 0.000000       16.35591 
1 1 1 -7  32 35 o 59.39107 22.14566 110.3351       103.3947 0.000000       0.000000 110.3351       103.3947 ?        ?        59.39107 22.14566 0.000000       22.14566 
1 1 1 -7  32 36 o 76.59270 28.37114 224.0450       169.1682 0.000000       0.000000 224.0450       169.1682 ?        ?        76.59270 28.37114 0.000000       28.37114 
1 1 1 -7  32 37 o 51.22290 23.56291 -39.07203      162.6742 0.000000       0.000000 -39.07203      162.6742 ?        ?        51.22290 23.56291 0.000000       23.56291 
1 1 1 -7  33 1  o 177.0357 10.55714 929.3652       109.1140 935.6299       115.0676 873.4819       343.6717 177.5287 11.10749 162.3211 36.93512 15.20763       38.56915 
1 1 1 -7  33 2  o 253.1943 8.724234 1892.064       129.3548 1928.964       141.3206 1701.431       321.2119 255.5129 9.446929 235.3105 23.59348 20.20233       25.41450 
1 1 1 -7  33 3  o 353.7648 8.346147 3687.919       173.1614 3790.451       199.7241 3377.523       347.5027 358.2627 9.513994 335.2397 17.73783 23.02295       20.12826 
1 1 1 -7  33 4  o 247.4243 8.978885 1807.885       130.0752 1799.209       144.9319 1843.809       294.9336 246.6120 10.04173 246.2473 20.61110 0.3646851      22.92714 
1 1 1 -7  33 5  o 167.4120 10.98962 832.5624       107.3030 798.5840       115.4877 1047.112       290.2004 163.7173 12.11373 182.0522 28.08221 -18.33485      30.58354 
1 1 1 -7  33 6  o 131.6387 13.90804 520.9266       105.7527 597.5114       115.9292 141.2653       258.1189 141.0070 14.21221 85.07744 34.07393 55.92957       36.91909 
1 1 1 -7  33 7  o 208.0972 10.11629 1282.698       123.0934 1388.313       143.5548 989.3895       239.2297 216.2373 11.35959 178.6789 23.39031 37.55840       26.00282 
1 1 1 -7  33 8  o 243.4221 8.666372 1749.888       123.5249 1761.784       141.5448 1711.887       252.9834 243.9853 9.912540 237.9013 18.27182 6.083969       20.78745 
1 1 1 -7  33 9  o 203.4667 10.22556 1227.088       121.6289 1279.956       139.3141 1057.611       249.4331 207.5263 11.49133 184.5793 23.57975 22.94696       26.23081 
1 1 1 -7  33 10 o 133.7383 34.42040 595.8268       271.5504 600.0892       318.1312 584.3840       521.2480 133.0706 38.54868 133.6106 49.74248 -0.5399933     62.93103 
1 1 1 -7  33 11 o 45.13888 20.22337 -43.10650      110.4798 -11.95150      113.8559 -545.1914      457.0674 48.94918 21.27984 74.25353 35.72000 -25.30435      41.57824 
1 1 1 -7  33 12 o 220.4555 9.607945 1439.184       123.9247 1415.346       146.6413 1498.743       231.7961 218.1588 11.50191 222.3468 17.92749 -4.187943      21.29997 
1 1 1 -7  33 13 o 196.1381 10.05147 1141.126       115.2368 1015.634       132.7968 1523.747       231.8794 184.4628 12.34627 224.1780 17.78234 -39.71521      21.64814 
1 1 1 -7  33 14 o 118.5989 15.11440 427.4301       102.7436 403.2420       116.5320 511.8816       217.7446 114.3263 17.97236 124.7417 30.10954 -10.41541      35.06551 
1 1 1 -7  33 15 o 66.56271 22.64280 128.5930       105.6763 61.74860       119.1859 374.3250       228.5196 58.36940 23.22823 106.6483 33.09302 -48.27893      40.43141 
1 1 1 -7  33 16 o 242.4223 9.325096 1741.251       132.3323 1735.160       158.3728 1755.341       240.8772 241.4442 11.21505 240.4725 17.19312 0.9717560      20.52756 
1 1 1 -7  33 17 o 238.3352 9.567348 1685.104       133.4586 1644.722       163.2427 1766.496       231.7548 234.7203 11.89738 241.3508 16.47177 -6.630524      20.31913 
1 1 1 -7  33 18 o 76.89327 29.98062 141.9298       194.9893 301.7744       440.0668 102.8814       217.5062 107.0625 43.89673 75.50224 30.89785 31.56022       53.68054 
1 1 1 -7  33 19 o 79.00092 29.46282 174.7854       183.0232 383.4353       416.1789 124.7577       203.7870 110.0572 43.53093 75.59589 30.27627 34.46130       53.02447 
1 1 1 -7  33 20 o 201.6817 11.00928 1217.413       129.7256 1358.348       165.1404 990.2902       209.6401 212.0810 13.34469 177.3998 20.52817 34.68120       24.48441 
1 1 1 -7  33 21 o 155.4187 13.22785 733.1396       119.4264 740.7127       150.0390 720.0458       197.2890 154.6517 16.81268 148.9495 23.35161 5.702255       28.77436 
1 1 1 -7  33 22 o 155.3346 12.26847 730.5486       110.8590 694.4466       133.3278 811.4156       199.5451 150.0975 15.36244 158.5343 22.05850 -8.436768      26.88088 
1 1 1 -7  33 23 o 57.25029 21.87779 81.78260       102.3302 107.9512       123.1116 23.29313       184.0549 63.54242 24.06407 62.45697 27.10485 1.085449       36.24572 
1 1 1 -7  33 24 o 58.16500 21.28049 94.66331       94.68928 107.6017       115.4728 68.10443       165.4412 62.44740 23.37961 63.71514 26.59069 -1.267738      35.40722 
1 1 1 -7  33 25 f 196.6524 9.866529 1160.326       113.4291 1051.966       143.9746 1337.645       184.1746 185.4937 13.32320 208.0300 15.20061 -22.53629      20.21302 
1 1 1 -7  33 26 o 52.48619 20.87507 58.79289       96.20728 -22.15587      128.6787 161.3964       144.8714 49.22306 21.95521 71.85294 26.31680 -22.62987      34.27251 
1 1 1 -7  33 27 o 65.34951 20.99759 139.3040       91.26736 167.7451       119.1163 98.86898       142.0288 71.18169 24.04113 63.31695 25.30364 7.864735       34.90344 
1 1 1 -7  33 28 o 87.45337 19.45080 254.6228       97.18417 167.5450       131.6910 358.7574       144.0124 71.21118 25.21649 101.0775 24.54257 -29.86636      35.18820 
1 1 1 -7  33 29 o 79.18417 25.61861 221.5648       135.7058 0.000000       0.000000 221.5648       135.7058 ?        ?        79.18417 25.61861 0.000000       25.61861 
1 1 1 -7  33 30 o 98.40313 19.56453 323.8669       108.9321 0.000000       0.000000 323.8669       108.9321 ?        ?        98.40313 19.56453 0.000000       19.56453 
1 1 1 -7  33 31 o 50.95528 20.97861 49.16977       101.0465 0.000000       0.000000 49.16977       101.0465 ?        ?        50.95528 20.97861 0.000000       20.97861 
1 1 1 -7  33 32 o 138.2965 14.31659 604.0798       114.4412 0.000000       0.000000 604.0798       114.4412 ?        ?        138.2965 14.31659 0.000000       14.31659 
1 1 1 -7  33 33 o 91.85722 20.48827 291.4708       107.5642 0.000000       0.000000 291.4708       107.5642 ?        ?        91.85722 20.48827 0.000000       20.48827 
1 1 1 -7  33 34 o 53.50040 21.24836 73.58041       99.54324 0.000000       0.000000 73.58041       99.54324 ?        ?        53.50040 21.24836 0.000000       21.24836 
1 1 1 -7  33 35 o 167.0053 12.24939 868.0647       119.1416 0.000000       0.000000 868.0647       119.1416 ?        ?        167.0053 12.24939 0.000000       12.24939 
1 1 1 -7  33 36 o 62.01254 26.22477 94.17027       164.2753 0.000000       0.000000 94.17027       164.2753 ?        ?        62.01254 26.22477 0.000000       26.22477 
1 1 1 -7  34 1  o 261.8155 8.655290 2024.271       132.7181 2059.098       143.2670 1813.558       352.3954 263.9249 9.270221 241.4998 25.25360 22.42513       26.90133 
1 1 1 -7  34 2  o 191.2801 10.33637 1085.169       115.5239 1088.958       122.9492 1056.613       337.5365 191.4730 10.99506 179.8283 33.22829 11.64467       35.00016 
1 1 1 -7  34 3  o 92.03580 18.97495 264.3597       99.01601 260.4303       104.9887 295.9767       297.8121 91.07053 20.18727 101.8506 37.65861 -10.78008      42.72817 
1 1 1 -7  34 4  f 181.8774 11.03793 983.1459       117.1838 1029.594       126.6854 707.8821       308.4025 185.9944 11.67270 145.0978 36.32756 40.89658       38.15683 
1 1 1 -7  34 5  o 152.8687 35.15626 779.9951       308.6075 779.9951       308.6075 0.000000       0.000000 152.8687 35.15626 ?        ?        0.000000       35.15626 
1 1 1 -7  34 6  o 307.4036 8.668729 2790.640       156.1281 2902.524       179.6283 2444.994       315.7239 313.2082 9.790953 283.8756 19.07467 29.33255       21.44075 
1 1 1 -7  34 7  o 163.5219 11.66362 797.0586       111.1217 852.6661       122.1124 529.1929       268.0103 168.9802 12.40830 125.7658 35.03830 43.21439       37.17053 
1 1 1 -7  34 8  o 300.0273 9.384641 2662.295       164.9280 2845.611       200.7827 2282.013       289.1872 309.6821 11.07284 274.5700 18.05898 35.11203       21.18336 
1 1 1 -7  34 9  o 174.7107 11.55192 909.4191       117.7009 770.9623       131.0220 1488.340       267.9146 160.1623 14.09224 220.1615 21.00359 -59.99928      25.29312 
1 1 1 -7  34 10 o 307.5366 8.234784 2792.367       148.3913 2949.528       182.8542 2489.215       253.9584 315.6078 9.891071 288.0360 15.08627 27.57175       18.03964 
1 1 1 -7  34 11 o 257.0351 8.975720 1954.198       135.0969 1850.157       157.9651 2237.533       260.6818 249.6019 10.81670 272.3873 16.39412 -22.78542      19.64098 
1 1 1 -7  34 12 o 117.6067 15.59839 421.8269       104.9373 304.8575       115.7436 961.9482       248.7176 98.23835 20.74130 174.4549 25.02491 -76.21658      32.50304 
1 1 1 -7  34 13 o 178.1408 19.78217 978.0189       203.1943 1029.623       360.8792 954.0645       245.8728 173.4873 36.62039 173.5651 24.86376 -0.7781982E-01 44.26352 
1 1 1 -7  34 14 o 294.9175 8.421850 2572.022       145.5169 2579.855       173.0298 2553.097       268.9552 294.8546 10.02061 290.7704 15.83145 4.084167       18.73626 
1 1 1 -7  34 15 o 120.1507 16.18552 443.0394       111.1540 400.2949       128.3210 571.5017       222.4568 112.7694 20.14158 130.9787 29.65229 -18.20934      35.84608 
1 1 1 -7  34 16 o 227.4116 9.577644 1536.303       127.4525 1491.695       154.3163 1632.034       226.0634 223.3271 11.82416 231.3862 16.77261 -8.059067      20.52148 
1 1 1 -7  34 17 o 259.1295 10.26632 2000.214       155.7119 1862.075       166.5514 2959.030       438.7919 249.5487 11.41020 304.4487 24.78938 -54.90002      27.28930 
1 1 1 -7  34 18 o 203.7406 9.859241 1237.642       117.4574 1258.136       140.0742 1189.101       215.5799 204.7348 11.71474 195.3741 19.05636 9.360733       22.36917 
1 1 1 -7  34 19 o 263.5476 8.940116 2065.563       137.9824 2188.160       173.2982 1853.236       228.0640 270.3276 10.95352 245.9283 15.89758 24.39931       19.30576 
1 1 1 -7  34 20 o 87.56654 21.53419 252.0262       109.8079 222.4855       130.2318 324.6817       204.2399 81.84564 24.90737 96.41302 31.44635 -14.56738      40.11546 
1 1 1 -7  34 21 o 99.78040 22.41331 329.9317       127.9479 286.2239       139.3238 565.2674       323.2881 91.82244 25.14024 119.5771 39.59280 -27.75468      46.90012 
1 1 1 -7  34 22 o 134.0954 14.51256 555.0622       112.3155 609.0090       134.5813 431.2701       203.8676 139.3871 16.80158 109.3183 30.59705 30.06881       34.90662 
1 1 1 -7  34 23 o 171.4087 11.79820 890.6752       117.8805 915.2082       146.1838 845.0626       199.3276 172.2914 14.60470 160.9647 21.66431 11.32669       26.12737 
1 1 1 -7  34 24 o 100.8206 17.89911 326.8282       101.9590 277.9895       128.1367 411.1179       168.3368 90.13670 23.86663 108.2233 26.69143 -18.08662      35.80570 
1 1 1 -7  34 25 o 143.6653 13.26220 635.3651       110.4818 766.4643       146.9977 465.1662       167.4899 156.0922 16.29736 115.6715 25.38754 40.42072       30.16838 
1 1 1 -7  34 26 o 59.45664 21.13244 107.6413       92.56342 160.3545       123.7758 40.75528       139.4260 69.95252 24.47371 56.46294 24.03023 13.48958       34.29890 
1 1 1 -7  34 27 f 165.8095 11.07721 836.4055       107.1006 774.8521       141.1145 920.0334       164.4832 156.8655 15.54303 170.1632 16.69654 -13.29768      22.81141 
1 1 1 -7  34 28 o 36.32964 17.24650 -100.6079      99.27241 -133.1685      136.9215 -64.52300      144.1413 42.25573 20.11526 47.95948 22.10454 -5.703747      29.88702 
1 1 1 -7  34 29 o 112.4610 24.10677 446.8544       154.2204 0.000000       0.000000 446.8544       154.2204 ?        ?        112.4610 24.10677 0.000000       24.10677 
1 1 1 -7  34 30 o 116.3909 18.17627 446.2729       120.0183 0.000000       0.000000 446.2729       120.0183 ?        ?        116.3909 18.17627 0.000000       18.17627 
1 1 1 -7  34 31 o 41.39390 18.90599 -39.85321      102.2392 0.000000       0.000000 -39.85321      102.2392 ?        ?        41.39390 18.90599 0.000000       18.90599 
1 1 1 -7  34 32 o 50.14333 20.79620 46.76197       100.2885 0.000000       0.000000 46.76197       100.2885 ?        ?        50.14333 20.79620 0.000000       20.79620 
1 1 1 -7  34 33 o 101.7876 18.92786 350.7946       108.8341 0.000000       0.000000 350.7946       108.8341 ?        ?        101.7876 18.92786 0.000000       18.92786 
1 1 1 -7  34 34 o 100.9341 19.80223 350.6421       113.0312 0.000000       0.000000 350.6421       113.0312 ?        ?        100.9341 19.80223 0.000000       19.80223 
1 1 1 -7  34 35 o 55.77336 22.07916 86.33944       107.1511 0.000000       0.000000 86.33944       107.1511 ?        ?        55.77336 22.07916 0.000000       22.07916 
1 1 1 -7  35 1  o 35.32678 16.80961 -117.1028      95.40940 -107.9321      99.10134 -233.3509      352.8347 36.94649 17.44776 73.06855 33.99104 -36.12206      38.20753 
1 1 1 -7  35 2  o 307.8730 9.227701 2803.002       166.4275 2803.002       166.4275 0.000000       0.000000 307.8730 9.227701 ?        ?        0.000000       9.227701 
1 1 1 -7  35 3  o 244.1776 8.982620 1763.327       128.4158 1798.751       140.3789 1581.665       317.8987 246.4405 9.731815 225.1821 24.46427 21.25838       26.32886 
1 1 1 -7  35 4  o 43.99737 21.72886 -426.9082      203.8922 -558.2427      282.1667 -283.4020      294.9523 52.19193 25.73550 63.44280 30.00253 -11.25087      39.52806 
1 1 1 -7  35 5  o 231.9984 9.371875 1593.514       127.2527 1612.679       140.7787 1507.914       297.5274 233.1558 10.32091 220.2732 23.38815 12.88261       25.56417 
1 1 1 -7  35 6  o 161.2361 12.21643 777.1604       114.6604 896.4308       126.1042 208.0479       275.4623 173.1551 12.50195 91.52348 35.64862 81.63165       37.77728 
1 1 1 -7  35 7  o 173.9724 12.34909 904.7502       125.1796 778.7523       139.0238 1444.543       287.7536 160.6167 14.92962 215.4735 23.13247 -54.85677      27.53189 
1 1 1 -7  35 8  o 77.38937 21.95798 189.0820       104.2574 166.6932       113.1215 315.3801       268.6749 73.64336 23.34583 101.0433 35.99398 -27.39989      42.90215 
1 1 1 -7  35 9  o 332.8050 8.431046 3273.414       164.4266 3297.919       189.7444 3199.527       329.4739 333.6263 9.707789 324.9595 17.35077 8.666840       19.88191 
1 1 1 -7  35 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  35 11 o 88.90948 20.45225 251.3844       104.4222 283.5585       116.1163 115.3527       238.7593 94.24034 21.48752 79.21766 32.38989 15.02268       38.86925 
1 1 1 -7  35 12 o 250.4903 9.011058 1859.521       132.1627 1899.120       156.0832 1759.206       248.4268 252.6537 10.55694 240.0068 17.77534 12.64699       20.67394 
1 1 1 -7  35 13 f 226.4821 9.411046 1523.046       124.7312 1610.866       146.4530 1291.103       238.0090 232.4887 10.77029 203.9550 20.16143 28.53362       22.85788 
1 1 1 -7  35 14 o 217.9102 9.558517 1411.956       121.8599 1524.227       145.0406 1142.485       224.7047 225.9317 10.97904 191.2975 20.34015 34.63412       23.11408 
1 1 1 -7  35 15 o 168.0470 11.14477 846.4147       109.2174 756.8625       126.4735 1109.062       216.5948 157.9534 13.79091 188.2991 19.91465 -30.34569      24.22360 
1 1 1 -7  35 16 o 131.0680 14.30649 525.2242       108.1881 471.5344       126.1720 674.3262       210.2608 122.6310 18.08557 142.6936 26.08580 -20.06259      31.74204 
1 1 1 -7  35 17 o 164.9867 12.32015 822.7417       118.3501 951.3394       138.2094 469.2181       229.1554 176.9995 13.41407 114.5265 32.57369 62.47301       35.22758 
1 1 1 -7  35 18 o 111.1581 16.54257 387.0275       104.5623 522.0183       121.5156 1.955775       205.2348 129.4707 16.36851 63.90087 28.15281 65.56988       32.56545 
1 1 1 -7  35 19 o 71.89043 22.64211 167.6497       106.5627 154.3017       124.7443 203.6912       204.9813 70.47942 24.57529 81.64412 31.02057 -11.16470      39.57550 
1 1 1 -7  35 20 o 39.37939 18.37357 -82.70773      104.3174 -67.39941      121.1003 -126.7417      205.3882 44.29663 20.35975 55.28331 25.78974 -10.98667      32.85773 
1 1 1 -7  35 21 o 88.79926 20.17570 259.4464       102.6753 266.4794       118.8424 238.7435       203.8996 88.98068 22.70250 84.63966 31.18406 4.341019       38.57265 
1 1 1 -7  35 22 o 130.5305 15.54782 532.3790       116.6866 626.3533       142.9185 344.4876       202.0866 140.4717 17.74310 96.99195 31.25248 43.47974       35.93793 
1 1 1 -7  35 23 o 253.1586 10.88093 1935.117       161.1736 1943.254       190.1086 1914.322       303.9178 252.2320 12.89420 241.8076 21.65984 10.42439       25.20732 
1 1 1 -7  35 24 o 108.5276 27.89340 427.5782       178.4969 0.000000       0.000000 427.5782       178.4969 ?        ?        108.5276 27.89340 0.000000       27.89340 
1 1 1 -7  35 25 o 84.04662 21.88131 241.9645       108.8943 81.41217       143.7977 457.8222       166.7352 61.13143 25.08180 113.6913 25.62184 -52.55986      35.85492 
1 1 1 -7  35 26 o 203.7844 9.920667 1254.026       118.2103 1256.266       158.3485 1251.206       177.6629 201.5369 13.47445 199.6592 15.28880 1.877762       20.37911 
1 1 1 -7  35 27 o 68.89458 22.69545 160.8289       106.2707 63.79265       142.8183 281.2069       159.0708 58.65683 24.60837 87.08872 27.69327 -28.43190      37.04712 
1 1 1 -7  35 28 o 109.3314 18.45248 394.9138       114.1106 482.9739       157.4373 297.4532       165.6277 117.1218 23.73420 88.52817 28.27031 28.59365       36.91236 
1 1 1 -7  35 29 o 70.21939 27.55873 158.9320       165.6561 0.000000       0.000000 158.9320       165.6561 ?        ?        70.21939 27.55873 0.000000       27.55873 
1 1 1 -7  35 30 o 135.8175 15.78199 592.8596       123.3712 0.000000       0.000000 592.8596       123.3712 ?        ?        135.8175 15.78199 0.000000       15.78199 
1 1 1 -7  35 31 o 45.08827 19.81841 2.233582       101.1600 0.000000       0.000000 2.233582       101.1600 ?        ?        45.08827 19.81841 0.000000       19.81841 
1 1 1 -7  35 32 o 103.5571 18.38899 360.8122       107.5924 0.000000       0.000000 360.8122       107.5924 ?        ?        103.5571 18.38899 0.000000       18.38899 
1 1 1 -7  35 33 o 40.36650 18.76816 -61.12904      107.3434 0.000000       0.000000 -61.12904      107.3434 ?        ?        40.36650 18.76816 0.000000       18.76816 
1 1 1 -7  35 34 o 101.8377 19.65986 357.7692       113.1668 0.000000       0.000000 357.7692       113.1668 ?        ?        101.8377 19.65986 0.000000       19.65986 
1 1 1 -7  36 1  o 234.1726 17.48782 1667.146       238.4376 1359.785       284.9911 2384.260       435.3122 208.2391 23.76024 273.5887 27.50287 -65.34959      36.34497 
1 1 1 -7  36 2  o 185.3694 21.31192 1066.842       227.4816 691.5513       289.4811 1672.759       367.8262 142.2635 34.95142 228.3969 28.04831 -86.13339      44.81416 
1 1 1 -7  36 3  o 146.8913 13.05304 648.8120       111.2800 602.9816       117.6107 1040.467       343.8128 141.1833 14.40572 175.4630 34.64075 -34.27962      37.51674 
1 1 1 -7  36 4  o 207.9337 19.14034 1326.976       230.7957 1261.287       313.1728 1405.062       341.4456 198.0151 27.72599 208.5319 28.67756 -10.51680      39.88901 
1 1 1 -7  36 5  o 91.30166 20.69864 265.0776       108.2680 273.0080       116.1949 212.8320       298.2378 92.40634 21.79618 92.77599 36.80098 -0.3696442     42.77132 
1 1 1 -7  36 6  o 134.9689 14.14948 551.5728       110.3387 645.0190       117.8184 -115.0872      314.6910 146.1328 13.91498 72.96897 33.26665 73.16383       36.05963 
1 1 1 -7  36 7  o 74.82632 23.19831 175.3723       112.3236 278.8009       121.7270 -417.5365      291.4477 93.10147 22.53774 57.31359 27.80145 35.78788       35.78925 
1 1 1 -7  36 8  o 101.8928 19.14349 326.6078       110.1980 360.8158       118.9718 120.0086       292.3781 107.0370 19.67708 84.55000 35.32226 22.48695       40.43328 
1 1 1 -7  36 9  o 99.15662 18.57201 309.0953       104.0339 318.8585       111.2598 241.1719       293.4622 100.4052 19.59798 93.90105 36.73125 6.504143       41.63251 
1 1 1 -7  36 10 f 226.0133 9.143121 1516.600       120.9433 1495.773       136.4373 1592.990       261.3029 224.0449 10.41207 226.5972 19.86320 -2.552292      22.42672 
1 1 1 -7  36 11 o 93.97135 19.77357 281.8629       105.5197 364.0258       114.0906 -204.1671      277.4875 107.4871 18.78179 63.07009 29.60094 44.41697       35.05669 
1 1 1 -7  36 12 o 43.34621 19.06092 -15.93662      93.66741 -19.39657      101.9038 2.908788       237.8255 44.88925 19.80479 69.09665 30.37877 -24.20740      36.26429 
1 1 1 -7  36 13 o 92.45898 18.51829 272.1064       96.91164 309.9903       107.7153 111.1631       222.0172 98.53068 19.33120 75.36858 31.06983 23.16209       36.59275 
1 1 1 -7  36 14 o 61.29295 21.48694 109.6502       95.43827 104.9624       107.1940 127.5750       209.6110 61.74778 22.63389 75.24109 30.50303 -13.49331      37.98326 
1 1 1 -7  36 15 o 67.90947 22.20963 145.1461       101.8453 248.6376       117.1413 -175.3283      206.1362 86.62361 22.76468 53.32434 25.17658 33.29927       33.94246 
1 1 1 -7  36 16 f 30.91577 15.30934 -226.6682      103.6867 -236.2748      117.6823 -193.3325      219.2201 33.71706 16.62462 54.27449 25.72546 -20.55743      30.62968 
1 1 1 -7  36 17 o 104.7353 17.70716 348.8250       104.8931 349.7004       118.1825 345.5759       227.6780 103.7530 20.14886 97.97903 33.23671 5.773987       38.86715 
1 1 1 -7  36 18 o 45.37981 20.01569 -13.97251      104.0176 24.47957       122.0133 -116.2541      198.9967 52.87867 22.49133 54.84460 25.51802 -1.965923      34.01513 
1 1 1 -7  36 19 o 183.5009 11.42584 1018.318       122.3536 1101.653       147.2398 832.3698       219.9418 189.8792 13.30624 157.4960 24.61681 32.38315       27.98291 
1 1 1 -7  36 20 o 127.7657 15.34876 509.6641       112.7106 447.4981       131.9219 677.7037       216.8934 117.2734 19.89083 139.2370 27.53670 -21.96367      33.96933 
1 1 1 -7  36 21 o 113.7460 16.02058 408.6112       103.9154 386.3519       119.5967 477.1900       209.9219 108.7832 19.46040 113.2831 30.79519 -4.499825      36.42870 
1 1 1 -7  36 22 o 262.6129 8.856470 2064.547       136.2089 1924.816       166.8560 2343.658       235.8221 251.9311 11.32194 275.0056 14.67465 -23.07448      18.53461 
1 1 1 -7  36 23 o 96.25807 20.69215 311.4173       113.3364 327.0677       137.9264 278.8803       198.8717 96.51521 24.36713 86.96407 30.96848 9.551140       39.40563 
1 1 1 -7  36 24 o 96.67789 19.01677 309.1606       103.9805 304.8060       126.4435 318.2568       182.7473 93.59944 23.16144 91.91589 29.72839 1.683548       37.68593 
1 1 1 -7  36 25 o 125.8717 16.04441 505.3813       115.7526 379.8283       149.0589 696.1147       183.7205 103.1688 24.91814 142.7477 22.70472 -39.57893      33.71080 
1 1 1 -7  36 26 o 87.03955 31.39674 294.0368       205.1209 0.000000       0.000000 294.0368       205.1209 ?        ?        87.03955 31.39674 0.000000       31.39674 
1 1 1 -7  36 27 o 80.36883 22.88946 229.0663       113.0773 438.0336       156.6232 1.556282       163.4245 110.2459 24.82337 55.27528 24.69262 54.97059       35.01321 
1 1 1 -7  36 28 o 56.27336 21.93471 86.96992       104.3506 78.49913       137.6777 98.40526       159.9655 58.84460 24.38217 63.11811 26.22849 -4.273514      35.81095 
1 1 1 -7  36 29 o 52.55876 23.67367 -10.61744      153.6578 0.000000       0.000000 -10.61744      153.6578 ?        ?        52.55876 23.67367 0.000000       23.67367 
1 1 1 -7  36 30 o 43.23194 19.60896 -29.06403      107.6100 0.000000       0.000000 -29.06403      107.6100 ?        ?        43.23194 19.60896 0.000000       19.60896 
1 1 1 -7  36 31 o 84.81088 22.47804 260.0487       113.5908 0.000000       0.000000 260.0487       113.5908 ?        ?        84.81088 22.47804 0.000000       22.47804 
1 1 1 -7  36 32 o 79.85065 22.77182 232.4513       111.8454 0.000000       0.000000 232.4513       111.8454 ?        ?        79.85065 22.77182 0.000000       22.77182 
1 1 1 -7  36 33 o 119.8576 17.61519 479.9023       120.1324 0.000000       0.000000 479.9023       120.1324 ?        ?        119.8576 17.61519 0.000000       17.61519 
1 1 1 -7  37 1  o 113.1206 30.91325 435.6045       210.8859 611.7303       260.3975 99.92122       359.4926 132.8517 33.44786 88.51930 38.14656 44.33244       50.73381 
1 1 1 -7  37 2  o 148.5534 11.75332 662.5058       101.5647 710.1550       105.8907 114.8232       359.0000 153.8103 11.82956 89.31299 38.29904 64.49731       40.08435 
1 1 1 -7  37 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  37 4  o 146.1548 12.67614 644.2332       107.5819 741.2180       115.8684 38.01750       289.6855 156.8318 12.70611 77.87846 33.89879 78.95332       36.20184 
1 1 1 -7  37 5  o 77.05579 22.31712 190.7628       106.6367 230.7988       113.2914 -120.3053      315.7908 84.34557 22.49148 71.77777 32.94905 12.56779       39.89368 
1 1 1 -7  37 6  o 164.6409 12.43259 816.4207       119.1596 884.7206       129.2524 429.6144       307.5923 171.2301 12.96727 110.4712 38.58545 60.75887       40.70610 
1 1 1 -7  37 7  o 64.99996 22.18510 126.1158       101.4605 138.3213       107.8981 32.88997       298.1976 67.59548 22.88086 77.84841 34.12806 -10.25293      41.08842 
1 1 1 -7  37 8  o 150.2219 12.88780 682.8398       112.4474 596.0759       120.1561 1294.682       319.0772 139.5458 14.91267 197.2143 28.40524 -57.66847      32.08185 
1 1 1 -7  37 9  o 227.4566 9.717032 1542.197       129.3245 1443.412       140.7582 2077.218       327.5768 219.5481 10.96656 255.8677 22.04440 -36.31963      24.62155 
1 1 1 -7  37 10 o 69.80794 21.64398 155.3545       97.77409 155.9863       105.9018 151.7062       254.4912 70.23160 22.62336 81.38435 33.37659 -11.15276      40.32138 
1 1 1 -7  37 11 o 233.0122 9.241343 1617.879       126.0381 1697.719       139.0014 1248.730       298.8883 238.3947 9.963926 193.3788 27.09679 45.01588       28.87067 
1 1 1 -7  37 12 o 41.82477 18.69403 -28.30241      93.80078 -25.03730      99.93106 -52.49203      271.9985 43.58502 19.40002 68.66487 31.15686 -25.07985      36.70301 
1 1 1 -7  37 13 o 126.4420 14.50493 492.6906       105.6164 548.0869       115.6341 213.8940       259.4117 133.1918 15.06757 85.95580 34.24823 47.23603       37.41621 
1 1 1 -7  37 14 o 153.8107 11.69884 715.8652       104.7393 748.0379       119.2471 607.2514       219.1019 156.6432 13.10019 131.6039 29.15564 25.03932       31.96351 
1 1 1 -7  37 15 o 200.5439 10.17792 1206.879       119.3154 1226.403       138.3088 1150.076       235.9133 201.3995 11.76074 188.3624 21.75469 13.03714       24.73018 
1 1 1 -7  37 16 o 102.3979 17.86612 335.5213       103.3927 383.8933       117.2496 166.3920       219.2421 109.1247 19.01107 78.09258 31.35970 31.03215       36.67221 
1 1 1 -7  37 17 o 48.13499 20.41984 19.26706       100.1208 109.6663       116.2502 -240.3878      197.0196 62.61560 23.45497 48.21311 23.25815 14.40249       33.03146 
1 1 1 -7  37 18 o 247.1105 9.101048 1826.617       131.6711 2027.079       166.3201 1490.014       215.5204 259.1921 10.96617 217.8445 17.00368 41.34764       20.23319 
1 1 1 -7  37 19 o 202.1322 10.55795 1233.127       124.7261 1360.390       150.5876 955.0693       222.5900 211.3391 12.20139 169.0884 23.04528 42.25069       26.07602 
1 1 1 -7  37 20 o 150.7377 12.58988 697.3767       110.2841 745.6568       128.1007 559.1184       216.7770 154.9475 14.25636 122.4265 30.34528 32.52099       33.52730 
1 1 1 -7  37 21 o 27.30519 13.74926 -295.0588      100.6835 -217.6271      115.2889 -543.9014      206.6761 33.59550 16.54350 39.40244 19.82217 -5.806942      25.81871 
1 1 1 -7  37 22 o 57.90469 22.16490 91.72263       105.1493 83.63362       123.3762 113.1939       201.0079 58.88870 23.56686 69.62646 29.20131 -10.73777      37.52484 
1 1 1 -7  37 23 o 135.6880 13.98796 575.3251       109.7198 532.1111       130.7337 678.2822       201.7919 128.0204 17.90106 138.1369 25.85841 -10.11650      31.45004 
1 1 1 -7  37 24 o 45.80069 20.36115 -11.76404      109.7335 31.68932       131.0586 -113.6623      200.6953 53.66800 23.07910 53.39441 25.09579 0.2735901      34.09463 
1 1 1 -7  37 25 o 61.79014 23.05261 117.9023       112.0666 122.2211       141.7983 110.7161       182.9092 64.63435 25.45756 66.72272 27.91080 -2.088379      37.77698 
1 1 1 -7  37 26 o 107.3701 17.95206 380.9715       109.0563 399.3526       139.0141 351.5552       175.8600 106.3495 22.96139 94.81634 28.96129 11.53312       36.95918 
1 1 1 -7  37 27 o 63.23317 22.88403 131.3011       109.0808 152.9836       143.8515 101.9659       167.3221 68.00021 25.95070 63.94936 26.71886 4.050842       37.24696 
1 1 1 -7  37 28 o 115.0094 18.11622 439.5705       118.1562 507.3935       148.6520 323.1984       194.7184 120.7187 21.79843 88.91959 30.72044 31.79910       37.66851 
1 1 1 -7  37 29 o 88.30666 28.32295 310.1461       166.1088 0.000000       0.000000 310.1461       166.1088 ?        ?        88.30666 28.32295 0.000000       28.32295 
1 1 1 -7  37 30 o 93.39024 22.33190 313.5906       120.6591 0.000000       0.000000 313.5906       120.6591 ?        ?        93.39024 22.33190 0.000000       22.33190 
1 1 1 -7  37 31 o 99.49348 21.51362 351.0295       121.8721 0.000000       0.000000 351.0295       121.8721 ?        ?        99.49348 21.51362 0.000000       21.51362 
1 1 1 -7  38 1  o 122.8937 29.07079 519.7422       206.2248 294.4022       252.9926 965.9678       356.0131 94.49768 34.74962 160.9424 38.27871 -66.44469      51.69909 
1 1 1 -7  38 2  o 93.13316 31.68359 293.4398       206.9127 397.0085       252.8652 83.57180       359.9547 105.4295 35.01960 85.31930 37.44680 20.11024       51.27022 
1 1 1 -7  38 3  o 49.48044 19.92902 42.24235       88.82459 55.89838       92.41283 -123.4346      321.8852 52.14832 20.54800 71.11483 32.86774 -18.96651      38.76220 
1 1 1 -7  38 4  o 65.55928 21.95103 132.1021       99.31624 165.9432       104.4957 -184.1046      319.4195 71.91329 22.38834 68.06371 31.88515 3.849579       38.96025 
1 1 1 -7  38 5  o 146.5784 13.15461 653.3250       111.8820 666.2244       120.3042 570.7537       304.3757 147.6597 14.06168 122.5211 38.22037 25.13853       40.72503 
1 1 1 -7  38 6  o 92.33087 21.53233 279.5669       114.4450 284.8582       123.2193 246.3326       308.8081 92.73994 22.81430 91.97369 37.11821 0.7662506      43.56895 
1 1 1 -7  38 7  o 63.06026 23.26644 110.2629       113.5722 146.8077       122.2995 -118.7257      306.1391 69.40074 24.32390 69.12137 31.98416 0.2793732      40.18257 
1 1 1 -7  38 8  o 121.8820 15.92642 462.2728       111.1228 385.6287       118.5858 1014.343       318.2660 109.7858 19.11164 167.9404 33.48881 -58.15459      38.55846 
1 1 1 -7  38 9  o 72.95074 21.56322 173.7194       98.67625 138.5924       104.0288 488.9614       311.6412 66.69790 22.46701 112.5099 38.86463 -45.81203      44.89127 
1 1 1 -7  38 10 o 92.92085 19.24447 279.5249       101.4209 217.5396       109.4622 655.5116       269.5916 80.93144 22.33368 132.7473 34.36317 -51.81586      40.98318 
1 1 1 -7  38 11 o 77.23629 21.89904 197.5114       103.7355 221.0191       112.7538 67.94289       264.7139 81.35802 22.74868 74.55048 32.42804 6.807541       39.61161 
1 1 1 -7  38 12 o 96.25030 19.22159 300.4946       104.7024 225.8111       115.3705 649.2193       249.3010 82.02034 23.03900 133.1416 32.26809 -51.12131      39.64877 
1 1 1 -7  38 13 f 93.97952 19.49545 288.0203       103.9265 311.3174       115.3820 187.8627       239.2378 97.14992 20.87333 81.33557 32.72496 15.81435       38.81519 
1 1 1 -7  38 14 o 185.3738 11.45902 1039.835       123.9704 972.0206       135.3241 1393.855       309.1927 178.4028 13.02341 202.0208 26.75354 -23.61798      29.75502 
1 1 1 -7  38 15 o 108.9007 16.77072 376.5073       103.6780 393.9805       115.6459 304.9520       234.0268 110.5856 18.48306 91.91191 33.48188 18.67371       38.24474 
1 1 1 -7  38 16 o 144.1824 13.40327 640.0385       112.0396 770.4095       131.9169 302.5532       212.2449 157.7167 14.42115 91.06603 32.03358 66.65067       35.13004 
1 1 1 -7  38 17 o 91.29660 20.59925 278.6166       107.6644 317.4749       125.8572 172.5934       207.8916 96.49636 22.63289 76.53113 30.60375 19.96523       38.06359 
1 1 1 -7  38 18 o 49.33761 20.94038 25.11366       105.3790 56.07566       126.1249 -46.47539      191.7829 56.19613 23.31540 56.90210 25.95260 -0.7059708     34.88761 
1 1 1 -7  38 19 o 71.61563 22.95282 173.7838       109.1052 165.7988       128.7209 194.1590       205.6191 70.76727 24.94212 77.72133 30.64239 -6.954056      39.51032 
1 1 1 -7  38 20 o 40.10577 18.58615 -65.24259      103.9655 -22.52431      120.8748 -186.6915      203.8100 47.17399 21.14288 50.68050 24.24005 -3.506504      32.16522 
1 1 1 -7  38 21 o 89.76201 21.00013 275.0432       108.5756 284.9445       127.0955 248.2999       208.8768 89.80277 23.76539 82.62852 31.33267 7.174248       39.32595 
1 1 1 -7  38 22 o 96.33972 21.07958 317.5265       115.7838 251.3053       136.1303 490.7273       220.1566 83.28274 25.48889 110.5598 32.07996 -27.27709      40.97325 
1 1 1 -7  38 23 o 153.3450 13.72515 735.4450       122.1308 791.5293       146.7974 609.3365       220.1254 157.2980 16.14148 125.1991 30.30750 32.09897       34.33791 
1 1 1 -7  38 24 o 83.25356 23.38953 248.4888       118.8969 289.5209       149.7303 178.4574       195.6115 87.76751 26.70643 73.65005 29.60562 14.11745       39.87137 
1 1 1 -7  38 25 o 103.7822 19.81336 366.0406       116.1982 421.4045       147.5147 275.5257       188.6176 108.3164 23.86650 83.72204 30.11917 24.59435       38.42882 
1 1 1 -7  38 26 o 75.79183 22.21198 204.3587       105.0809 113.4005       129.2705 381.5299       180.4161 61.91198 24.33079 97.87457 29.21378 -35.96260      38.01884 
1 1 1 -7  38 27 o 67.49962 22.53103 159.7934       104.6455 329.4822       132.9101 -116.9555      169.7362 94.85853 23.90390 47.83009 22.66080 47.02844       32.93795 
1 1 1 -7  38 28 o 41.99852 20.28728 -170.0152      151.1260 -109.3128      345.0643 -184.4222      168.1061 65.53336 31.39672 44.08736 21.32072 21.44600       37.95164 
1 1 1 -7  38 29 o 54.11265 24.03621 18.15015       152.5989 -124.0591      353.8561 50.63929       169.1344 65.41403 31.45786 58.67341 25.71275 6.740623       40.62933 
1 1 1 -7  38 30 o 90.64787 22.90554 301.1380       121.8018 0.000000       0.000000 301.1380       121.8018 ?        ?        90.64787 22.90554 0.000000       22.90554 
1 1 1 -7  39 1  o 134.9262 28.06942 629.2071       214.8734 821.0068       252.9687 132.3369       407.1593 153.7869 29.11347 89.27818 39.47917 64.50871       49.05302 
1 1 1 -7  39 2  o 80.72894 31.49155 189.6974       215.2228 427.0329       267.1856 -248.8647      363.2012 106.7155 36.00612 69.16755 32.87933 37.54796       48.75952 
1 1 1 -7  39 3  o 166.7984 11.20582 839.1501       108.9830 883.3931       113.9118 360.8219       374.5494 171.0664 11.41951 101.4472 40.90096 69.61921       42.46521 
1 1 1 -7  39 4  o 54.20218 21.72229 58.22490       104.9730 87.71654       109.6360 -266.5172      363.8086 59.00165 22.62078 68.46598 32.64729 -9.464333      39.71832 
1 1 1 -7  39 5  o 101.5782 19.60437 334.3000       112.5590 269.9238       117.3446 1075.615       398.2003 89.94801 22.34451 162.8620 41.55857 -72.91402      47.18466 
1 1 1 -7  39 6  o 131.8905 14.55777 537.3502       110.7339 557.2980       117.3237 374.5933       335.1253 134.0470 15.19126 101.1191 39.33881 32.92787       42.17009 
1 1 1 -7  39 7  o 79.61335 23.13743 212.1754       114.4409 226.6326       122.5146 113.2056       320.5515 81.98885 23.97165 81.76121 35.62296 0.2276459      42.93757 
1 1 1 -7  39 8  f 103.0579 19.88822 345.8648       115.8518 341.9540       123.6953 373.8013       330.6029 101.7058 21.41556 100.4886 39.07840 1.217163       44.56173 
1 1 1 -7  39 9  o 50.25389 20.84764 34.95095       100.8230 25.99383       105.9663 120.5593       327.5983 50.09974 21.11820 82.33168 35.93948 -32.23194      41.68483 
1 1 1 -7  39 10 o 94.59579 18.93713 290.7077       101.3916 255.6891       109.0864 512.9854       274.8332 87.55499 21.42244 114.2451 36.40928 -26.69014      42.24401 
1 1 1 -7  39 11 o 57.10340 21.56115 86.62866       98.66258 61.24323       105.7083 258.2405       274.8466 54.39228 21.79832 88.64301 35.27422 -34.25074      41.46610 
1 1 1 -7  39 12 o 68.91082 22.38725 155.1673       103.5685 198.4952       113.1444 -68.78643      257.2341 76.70502 23.18958 64.46453 29.64540 12.24049       37.63783 
1 1 1 -7  39 13 o 155.6555 13.06352 743.7847       118.1554 854.2564       131.8759 294.2187       266.0338 166.5651 13.61870 90.67341 35.11211 75.89170       37.66071 
1 1 1 -7  39 14 o 138.1068 14.02891 591.6305       112.0539 581.2891       124.9621 634.0720       253.1541 135.7984 15.99692 128.0442 33.37620 7.754242       37.01178 
1 1 1 -7  39 15 o 44.70300 22.28795 -496.7592      235.0633 0.000000       0.000000 -496.7592      235.0633 ?        ?        44.70300 22.28795 0.000000       22.28795 
1 1 1 -7  39 16 o 32.48459 16.04530 -222.8350      111.3137 -212.4836      119.1837 -293.5409      311.4899 34.67025 17.02255 59.88935 28.97702 -25.21910      33.60707 
1 1 1 -7  39 17 o 85.47150 21.86676 250.7370       110.0452 292.9949       128.6762 135.6773       212.3273 91.43734 23.77619 72.51157 30.18194 18.92577       38.42209 
1 1 1 -7  39 18 o 43.16584 19.37729 -24.75963      101.9743 23.41558       117.4773 -172.0081      205.3844 50.95609 21.88082 51.48585 24.54473 -0.5297623     32.88182 
1 1 1 -7  39 19 o 47.00129 20.62554 0.5272076      109.1608 12.76957       127.6521 -32.78675      210.5758 51.41913 22.44018 59.43143 27.13994 -8.012295      35.21560 
1 1 1 -7  39 20 o 68.19921 23.40154 157.3120       112.9264 114.1338       133.5179 265.8174       211.6569 63.18382 24.75813 83.84657 31.59733 -20.66276      40.14170 
1 1 1 -7  39 21 o 81.94110 23.36419 239.3408       117.7494 241.7461       139.2099 233.2933       220.7377 81.22380 25.91570 80.18309 31.70652 1.040710       40.95029 
1 1 1 -7  39 22 o 64.56754 23.04587 137.9362       110.1952 78.11057       128.7190 302.0858       213.2156 57.93369 23.74566 86.79450 31.90378 -28.86081      39.77068 
1 1 1 -7  39 23 o 74.51962 23.58723 198.9814       115.5122 153.5467       139.3647 298.7005       206.4657 67.89878 25.62810 86.02946 31.43170 -18.13068      40.55553 
1 1 1 -7  39 24 o 55.32815 22.88027 66.30316       120.9124 17.22303       151.0170 153.9543       201.8142 54.38606 24.04694 70.97241 29.47354 -16.58635      38.03872 
1 1 1 -7  39 25 o 47.25863 20.65664 11.28301       108.5332 9.358025       135.3280 14.75324       181.6993 51.32565 22.72528 57.69853 25.88619 -6.372887      34.44609 
1 1 1 -7  39 26 o 39.40234 18.17313 -48.26963      97.66935 32.82790       117.7867 -226.7518      174.7390 50.82333 21.86786 43.30635 21.12382 7.516979       30.40426 
1 1 1 -7  39 27 o 74.49088 21.34912 197.9398       98.06896 233.0315       120.8505 130.2694       167.8209 79.24757 23.96800 65.84216 27.06413 13.40541       36.15152 
1 1 1 -7  39 28 o 67.31157 25.73051 156.8741       141.5730 32.58434       246.8554 217.7899       172.8182 64.13936 29.32598 75.31668 28.51385 -11.17732      40.90297 
1 1 1 -7  40 1  o 151.9387 29.94999 822.1038       257.3878 822.1038       257.3878 0.000000       0.000000 151.9387 29.94999 ?        ?        0.000000       29.94999 
1 1 1 -7  40 2  o 169.7045 22.88648 950.4644       221.9828 1254.634       270.3006 320.3308       389.0497 193.9404 24.29616 97.29186 40.70257 96.64858       47.40256 
1 1 1 -7  40 3  o 134.6587 15.16888 564.1300       117.7131 572.0598       123.2712 482.0959       396.4868 135.2705 15.83798 108.2223 42.58643 27.04817       45.43618 
1 1 1 -7  40 4  o 190.8861 11.07760 1100.587       123.4812 1146.050       128.5578 558.8150       443.7919 194.6822 11.30824 112.9271 44.86038 81.75509       46.26370 
1 1 1 -7  40 5  o 85.88585 22.30649 248.7100       113.3485 293.2616       118.3735 -242.8701      393.2054 93.49686 21.96344 70.87534 33.83611 22.62152       40.33950 
1 1 1 -7  40 6  o 146.1888 13.95422 659.3114       118.1884 641.9937       125.1175 802.7968       360.1445 143.6568 15.07480 136.9334 41.36737 6.723434       44.02850 
1 1 1 -7  40 7  o 37.48365 17.84635 -118.5003      107.8605 -79.40430      113.7480 -467.1096      339.6621 41.54382 19.31704 58.64294 28.78144 -17.09912      34.66294 
1 1 1 -7  40 8  o 27.70015 14.00323 -353.9668      110.4808 -319.9070      118.1908 -589.7692      310.9831 30.40642 15.25445 52.23960 25.97857 -21.83318      30.12614 
1 1 1 -7  40 9  o 82.19906 22.57667 230.1377       112.1556 263.9336       120.3452 6.873990       309.3186 87.77872 23.07661 73.12653 33.19885 14.65218       40.43135 
1 1 1 -7  40 10 o 38.86115 18.14414 -78.10169      102.0101 -67.85991      110.1308 -139.9673      270.6733 41.48961 19.19312 61.93771 29.12160 -20.44810      34.87755 
1 1 1 -7  40 11 o 162.8371 12.04513 810.4333       114.2168 879.3326       126.2674 500.2787       267.9003 169.2021 12.81972 110.3573 36.01664 58.84483       38.23014 
1 1 1 -7  40 12 o 86.57395 21.88361 256.1669       111.1488 296.8369       121.4051 45.51190       276.3029 92.96568 22.50982 71.57655 32.03142 21.38913       39.14976 
1 1 1 -7  40 13 o 41.56523 20.70335 -427.2594      200.7643 -297.8730      298.7198 -533.8480      271.1285 58.34322 28.26428 48.28612 24.05234 10.05710       37.11313 
1 1 1 -7  40 14 o 46.03123 20.37044 -10.01911      108.5968 -28.50041      118.5891 85.99104       270.2945 46.25457 20.81898 73.15625 32.26625 -26.90168      38.39975 
1 1 1 -7  40 15 o 136.2273 14.85630 583.6433       116.7719 597.2000       128.7643 520.8647       277.0920 136.8586 16.36664 110.1389 36.66100 26.71960       40.14842 
1 1 1 -7  40 16 o 69.90982 23.14337 166.1767       110.4628 281.9235       125.8449 -222.3740      230.5712 89.35403 23.64890 52.56799 25.30898 36.78604       34.63835 
1 1 1 -7  40 17 o 40.16834 19.21988 -138.2713      128.4106 -124.1718      136.8736 -241.8261      370.9390 42.62823 20.24075 65.86691 31.80872 -23.23869      37.70255 
1 1 1 -7  40 18 o 60.28355 22.91264 107.2576       111.8558 -4.547291      131.1383 405.8073       214.2928 50.13275 22.27444 99.79601 32.18485 -49.66325      39.14097 
1 1 1 -7  40 19 o 73.37002 23.97095 190.2398       118.6537 205.8969       142.0117 154.0358       215.9466 75.67118 26.23071 72.65545 30.35495 3.015732       40.11824 
1 1 1 -7  40 20 o 155.7735 13.97147 762.9611       126.2856 885.6882       152.5248 495.4210       225.1980 166.3756 15.82170 108.8405 32.67421 57.53506       36.30331 
1 1 1 -7  40 21 o 42.31567 19.57992 -59.11335      114.7154 -63.90828      133.5585 -45.62546      224.0022 45.48220 21.07364 59.00771 27.32348 -13.52550      34.50610 
1 1 1 -7  40 22 o 41.77085 19.59784 -84.02101      121.4549 -215.4290      144.1251 237.9387       225.5950 38.90628 19.02216 79.39796 31.83594 -40.49169      37.08597 
1 1 1 -7  40 23 o 32.31055 16.06452 -254.1329      118.6644 -146.7448      146.4928 -459.0625      202.3674 42.51432 20.39185 40.02138 20.06147 2.492935       28.60577 
1 1 1 -7  40 24 o 57.51513 22.77566 92.98501       114.0504 197.7235       142.8990 -90.80755      189.2953 73.16644 26.22896 51.80165 24.35515 21.36478       35.79290 
1 1 1 -7  40 25 o 75.29288 23.07165 206.9072       111.4915 211.1244       138.0471 198.9964       189.0698 74.98553 25.86829 73.75637 29.28700 1.229156       39.07553 
1 1 1 -7  40 26 f 96.52699 20.81590 327.4340       114.3706 275.2900       144.6329 414.4556       186.8435 84.21198 26.35807 100.1829 29.68713 -15.97094      39.69979 
1 1 1 -7  41 1  o 130.0466 15.93403 533.4551       118.9915 675.7171       252.7594 492.9494       134.8718 133.0604 32.64081 122.9827 19.33690 10.07771       37.93861 
1 1 1 -7  41 2  o 111.8910 32.56274 483.4590       226.5297 761.7654       265.1379 -268.8946      435.9345 141.5963 32.60226 72.16796 34.75933 69.42832       47.65625 
1 1 1 -7  41 3  o 257.0896 17.62265 2097.462       264.1020 2329.027       319.7212 1600.057       468.5870 267.3870 20.54570 192.2929 42.66624 75.09409       47.35540 
1 1 1 -7  41 4  o 134.3195 16.00476 569.8361       123.6007 572.8196       128.7277 534.6042       442.3622 134.2552 16.70959 107.4421 44.02707 26.81316       47.09133 
1 1 1 -7  41 5  o 63.89911 23.10849 125.6937       111.2058 137.3126       114.6767 -57.57853      455.4502 65.94677 23.51293 79.75302 37.58385 -13.80625      44.33288 
1 1 1 -7  41 6  o 134.2582 15.08663 565.6140       116.7379 594.4625       122.5827 284.5601       382.6157 137.4440 15.47601 91.43298 39.37778 46.01105       42.30977 
1 1 1 -7  41 7  f 60.51485 23.22153 100.9891       115.6062 68.95403       122.7995 350.6449       342.8113 57.18832 23.28690 94.68527 38.77391 -37.49696      45.22937 
1 1 1 -7  41 8  o 94.20130 21.56776 301.7340       116.5800 296.0450       124.1025 344.4393       340.0172 92.50153 22.97895 93.98470 38.56571 -1.483170      44.89260 
1 1 1 -7  41 9  o 183.5692 11.52208 1027.298       123.4199 1062.149       133.5339 823.0234       323.2862 186.1787 12.29846 138.7350 38.41874 47.44366       40.33920 
1 1 1 -7  41 10 o 93.65121 20.59386 295.7749       110.0259 412.6872       120.9722 -263.9482      264.6927 112.0163 19.09864 55.53109 26.83019 56.48518       32.93353 
1 1 1 -7  41 11 f 50.68103 21.50292 30.42980       111.0498 36.77210       120.2104 -6.489770      290.0327 52.85907 22.39728 69.19749 31.69457 -16.33842      38.80959 
1 1 1 -7  41 12 o 94.14403 21.60469 303.9566       116.7535 285.0900       130.4075 380.1634       262.0916 89.59552 24.23668 95.96386 35.35523 -6.368340      42.86501 
1 1 1 -7  41 13 f 30.44964 15.22799 -282.9394      113.4746 -309.3723      124.3685 -151.5773      277.2506 31.78606 15.90317 60.86049 28.87154 -29.07443      32.96174 
1 1 1 -7  41 14 f 172.9194 12.78189 924.7249       128.7088 973.7382       145.6539 750.0785       274.9446 176.4134 14.19778 134.8210 34.60149 41.59235       37.40107 
1 1 1 -7  41 15 o 118.4028 18.10307 460.2299       121.7217 408.5898       137.1076 652.3559       264.4605 108.5512 22.28363 124.2799 34.87170 -15.72868      41.38351 
1 1 1 -7  41 16 o 55.55844 22.66897 69.14906       116.6526 86.48199       134.8377 17.57599       232.5877 59.71016 24.36856 64.11527 28.97965 -4.405109      37.86353 
1 1 1 -7  41 17 o 101.1622 20.80238 351.4686       119.2949 429.0714       142.3590 168.4655       218.6126 110.5650 22.71454 73.75168 30.65575 36.81331       38.15397 
1 1 1 -7  41 18 o 93.37985 26.26560 328.1039       149.8417 259.0400       159.9977 820.8884       427.3826 82.39180 27.86278 118.2291 44.82197 -35.83731      52.77636 
1 1 1 -7  41 19 o 75.42718 25.50226 207.8129       134.0360 244.9239       142.7402 -68.93789      389.7975 80.82495 26.28387 70.93878 33.81717 9.886169       42.83040 
1 1 1 -7  41 20 o 49.86205 21.65520 20.97764       117.6656 -46.06771      137.4915 204.4737       227.4600 47.32565 21.73060 76.34882 31.45855 -29.02317      38.23427 
1 1 1 -7  41 21 o 137.0021 16.34425 610.3248       128.7366 647.2292       152.6098 519.2640       239.7223 138.5795 19.30025 108.1695 33.94512 30.40999       39.04832 
1 1 1 -7  41 22 o 69.81695 25.20707 174.6252       132.2531 172.2776       157.2397 180.3019       244.5091 70.09159 27.03378 74.09018 31.68563 -3.998589      41.65098 
1 1 1 -7  41 23 o 96.34233 22.89238 336.5299       127.4268 450.4966       155.6388 104.8021       221.9310 110.2943 24.67879 67.20667 29.45303 43.08761       38.42556 
1 1 1 -7  41 24 o 107.7585 20.39598 403.2365       124.1791 475.2180       150.8723 252.0529       218.6508 114.6254 23.23923 79.13825 31.47185 35.48711       39.12210 
1 1 1 -7  42 1  o 128.4030 15.74072 522.4206       116.0595 681.0884       237.8212 472.8204       132.9682 134.0320 30.88886 119.7086 19.61864 14.32336       36.59252 
1 1 1 -7  42 2  o 220.7932 11.48213 1485.240       148.1712 2168.990       285.5917 1233.402       173.3235 258.9199 18.93843 198.5376 14.99640 60.38225       24.15691 
1 1 1 -7  42 3  o 153.8580 28.08974 857.5591       244.1284 827.8082       284.6642 940.2795       474.6672 144.3010 34.16825 130.8628 47.68195 13.43819       58.66036 
1 1 1 -7  42 4  o 78.82592 32.12740 196.3349       233.9952 172.2073       275.9237 258.1248       441.5608 79.03275 33.72568 90.16991 40.41194 -11.13716      52.63597 
1 1 1 -7  42 5  o 49.05972 21.24126 13.45087       112.5017 63.76383       117.0956 -590.2894      405.6261 55.51388 22.68873 60.38519 29.96821 -4.871311      37.58819 
1 1 1 -7  42 6  o 109.7952 19.17971 398.4833       119.0102 401.2161       123.1940 360.2872       460.5739 109.7394 19.87300 94.85167 41.96424 14.88770       46.43203 
1 1 1 -7  42 7  o 79.53486 23.15324 221.3426       114.5116 242.6507       119.3063 -27.88779      408.0296 83.04353 23.46457 76.23739 35.81674 6.806145       42.81851 
1 1 1 -7  42 8  o 129.8192 16.83714 541.7219       125.1742 535.1160       132.5316 596.3126       380.9892 128.1468 18.14102 109.8166 42.15178 18.33016       45.88975 
1 1 1 -7  42 9  o 71.87287 24.08662 178.2487       119.5781 149.7494       127.5260 385.7408       344.0983 67.73512 24.70963 94.66554 38.81536 -26.93042      46.01302 
1 1 1 -7  42 10 o 96.43382 21.88112 321.8877       120.9029 391.4543       133.4660 3.677526       285.4481 106.4700 22.09864 68.44439 31.38447 38.02564       38.38404 
1 1 1 -7  42 11 o 93.88783 22.93033 310.6693       125.1552 359.1210       137.7564 81.58997       299.5367 100.5497 23.74282 73.36430 33.04835 27.18537       40.69294 
1 1 1 -7  42 12 o 49.60355 21.90694 1.696520       124.9863 -59.33171      137.5576 290.5459       299.2643 46.78740 21.57492 86.33604 35.87547 -39.54865      41.86319 
1 1 1 -7  42 13 o 56.97044 23.20221 75.81490       121.9333 92.54920       134.2040 -3.345372      291.8875 60.29505 24.42056 67.94135 31.36468 -7.646294      39.75056 
1 1 1 -7  42 14 o 60.20473 23.66293 102.4397       122.2850 73.82600       136.1082 222.2322       278.4918 58.21596 24.19275 80.16447 34.03378 -21.94851      41.75629 
1 1 1 -7  42 15 o 88.07744 23.61778 280.5786       124.4925 389.4265       141.0477 -103.1664      264.8360 104.2168 23.62412 60.39883 28.52286 43.81797       37.03583 
1 1 1 -7  42 16 o 101.9764 21.78104 363.9595       126.3062 460.4873       150.5840 134.8814       231.9767 113.7256 23.35947 71.24171 30.67146 42.48385       38.55390 
1 1 1 -7  42 17 o 67.46820 24.64578 155.4998       126.9313 295.1208       149.7662 -200.5295      239.1559 87.92851 26.70030 53.34045 25.70485 34.58806       37.06272 
1 1 1 -7  42 18 o 88.22131 23.49764 283.7831       123.7442 347.7018       144.7369 110.1246       238.5687 96.42812 25.28666 69.30528 30.44983 27.12283       39.58039 
1 1 1 -7  42 19 o 127.1292 22.27499 569.7498       160.0285 562.4239       171.2271 620.3242       449.8914 124.2753 24.36419 100.3478 42.94916 23.92752       49.37858 
1 1 1 -7  42 20 f 106.6356 23.57167 413.5780       143.4901 400.5617       149.3756 569.0604       516.2685 103.6881 24.88198 95.25969 43.10458 8.428452       49.77065 
1 1 1 -7  42 21 o 107.8824 21.77993 411.9152       133.0490 368.6157       155.6048 529.6407       256.5766 97.67448 26.49720 106.2739 35.27490 -8.599396      44.11825 
1 1 1 -7  42 22 o 109.1052 21.20079 418.6557       130.7697 384.8049       146.8909 547.9778       287.1086 101.1790 24.92096 104.2654 37.20107 -3.086357      44.77693 
1 1 1 -7  43 1  o 83.39291 22.93618 245.2458       115.6654 720.6260       239.7068 100.9687       132.0561 136.7287 30.65223 61.42110 24.44775 75.30759       39.20780 
1 1 1 -7  43 2  o 100.6361 20.53323 343.9039       117.0800 665.4090       244.3294 248.0747       133.3923 129.1618 32.33257 82.77055 25.21160 46.39121       41.00024 
1 1 1 -7  43 3  o 193.0505 12.49677 1149.776       140.7276 1656.801       262.3155 944.8732       166.7564 223.3576 20.24465 171.5632 16.78788 51.79437       26.29979 
1 1 1 -7  43 4  o 72.66617 30.51093 146.7536       219.8288 -4.290287      261.2585 512.9687       406.8057 65.79348 30.11511 101.2759 41.93282 -35.48247      51.62636 
1 1 1 -7  43 5  o 96.93800 32.34853 383.9288       215.7112 151.6460       248.7935 1087.288       432.9315 74.63940 31.94225 142.9072 45.71355 -68.26778      55.76769 
1 1 1 -7  43 6  o 129.3022 15.72672 534.5738       116.8103 520.5519       122.5206 674.5688       387.1343 126.7941 16.89648 113.0990 42.70844 13.69517       45.92931 
1 1 1 -7  43 7  o 69.23962 23.75360 164.8187       116.3482 179.7315       121.9615 13.90903       387.9727 71.69639 24.32585 75.09193 35.16566 -3.395538      42.75945 
1 1 1 -7  43 8  o 47.64036 21.22116 -9.423919      119.8062 -31.62101      125.5297 217.4734       401.3406 46.73419 21.19007 84.11123 38.03787 -37.37704      43.54192 
1 1 1 -7  43 9  o 141.2199 15.45300 636.5715       125.8980 688.2074       134.8198 284.7118       351.9350 146.5073 15.94784 86.09562 37.42094 60.41167       40.67752 
1 1 1 -7  43 10 o 48.50344 21.32058 6.172177       117.0893 25.05460       125.8889 -114.9053      318.7793 51.76388 22.44062 64.84382 30.81802 -13.07994      38.12259 
1 1 1 -7  43 11 o 125.5242 17.38216 516.1403       124.5321 561.0096       134.5425 247.8316       329.0049 130.3980 18.07863 82.79630 36.08154 47.60170       40.35733 
1 1 1 -7  43 12 o 98.77689 21.79875 341.9506       122.8925 429.3083       134.1100 -115.6825      306.9510 111.4136 21.30060 63.56914 30.22041 47.84449       36.97281 
1 1 1 -7  43 13 o 105.3769 21.29715 385.6964       127.0859 477.7471       139.3569 -69.01486      309.7298 117.8775 20.92436 65.51282 30.90993 52.36467       37.32630 
1 1 1 -7  43 14 o 112.2836 19.14784 424.9816       121.5727 371.4865       133.8528 677.0504       290.5562 101.9680 22.93959 120.2006 37.31836 -18.23259      43.80508 
1 1 1 -7  43 15 o 50.10701 21.68753 25.31123       117.2009 94.96652       130.2201 -271.7141      268.9043 59.48489 24.06878 53.83108 26.24584 5.653816       35.61110 
1 1 1 -7  43 16 o 43.45979 20.05344 -51.78042      119.1160 -21.89751      137.3200 -142.6082      239.4042 48.89481 22.16700 55.32397 26.40912 -6.429161      34.47924 
1 1 1 -7  43 17 o 35.03520 17.20785 -203.9353      122.1361 -123.3406      145.8884 -392.7847      223.3188 43.52605 20.73223 44.50035 22.11052 -0.9743042     30.31007 
1 1 1 -7  43 18 o 48.65372 21.73862 -3.161451      126.7236 -3.379134      158.8928 -2.780984      210.0633 53.24093 24.01892 59.10477 27.03478 -5.863838      36.16335 
1 1 1 -7  43 19 o 55.09712 23.45934 56.13895       132.9828 65.00573       161.4087 37.40123       234.6402 59.03181 25.50063 63.60582 28.89162 -4.574005      38.53580 
1 1 1 -7  43 20 o 70.83534 27.50996 182.0741       163.6676 188.7751       171.9342 117.3718       534.2573 71.77793 28.10406 79.00772 38.15952 -7.229790      47.39185 
1 1 1 -7  44 1  o 95.01540 23.28556 323.0910       128.7285 626.8649       257.0858 221.4425       148.7145 120.6395 34.56347 77.49319 26.84364 43.14634       43.76316 
1 1 1 -7  44 2  o 45.88134 20.81774 -31.19094      121.4117 211.6236       253.7265 -103.3011      138.2696 78.43848 32.84649 43.78997 20.65821 34.64850       38.80275 
1 1 1 -7  44 3  o 67.66898 24.45886 155.5420       124.5616 148.6401       257.1622 157.6576       142.3783 73.91248 32.05777 68.65892 25.90621 5.253555       41.21689 
1 1 1 -7  44 4  o 102.0844 23.04783 370.5862       134.7090 22.47558       263.3024 494.0093       156.7814 66.50230 30.36100 117.9570 23.48891 -51.45473      38.38644 
1 1 1 -7  44 5  o 61.66047 28.20499 -8.196449      228.6751 -16.56907      268.2546 14.06395       437.4043 64.80916 29.97157 76.41138 36.25315 -11.60223      47.03813 
1 1 1 -7  44 6  o 77.26598 32.58402 200.2050       252.4506 185.2096       305.8727 232.2456       447.1091 78.22404 34.41958 84.57249 38.96194 -6.348442      51.98789 
1 1 1 -7  44 7  o 112.3818 21.10880 435.6772       134.0192 449.7749       141.4715 312.3421       418.4443 113.4635 22.05459 87.39332 39.24009 26.07017       45.01321 
1 1 1 -7  44 8  o 186.5538 12.76254 1082.825       138.7931 1109.743       146.3976 843.7264       436.3144 188.3732 13.33773 118.1484 45.16898 70.22484       47.09705 
1 1 1 -7  44 9  o 77.93624 25.14129 224.0720       130.7561 233.7312       136.9440 124.3761       439.9573 79.21472 25.74356 79.72462 37.37123 -0.5099030     45.37995 
1 1 1 -7  44 10 o 75.48091 24.88951 208.9851       127.8000 221.3537       137.1005 126.9890       353.0005 77.14693 25.79009 76.29166 34.95227 0.8552628      43.43720 
1 1 1 -7  44 11 o 81.43236 32.20885 265.5837       227.8417 337.5603       315.2144 186.8362       329.7077 87.09585 36.55045 78.08394 34.96348 9.011909       50.58044 
1 1 1 -7  44 12 o 62.46549 24.15507 122.4891       125.7728 104.3404       137.2607 217.4989       314.0558 61.07975 24.71203 79.01715 34.81862 -17.93740      42.69685 
1 1 1 -7  44 13 o 66.68791 24.16320 154.5328       121.6634 176.1744       133.3718 47.25394       296.9450 70.06961 25.31143 68.84860 31.73032 1.221008       40.58918 
1 1 1 -7  44 14 o 46.19440 20.47846 -0.4758826     110.2234 33.63204       120.5691 -174.0249      271.9690 51.26387 22.09167 57.22242 27.53392 -5.958546      35.30097 
1 1 1 -7  44 15 o 47.76084 21.15741 3.459798       117.4418 -153.2725      132.1243 593.4109       256.3372 39.40725 19.01915 113.6454 35.01283 -74.23815      39.84503 
1 1 1 -7  44 16 o 62.11415 23.93903 123.2998       123.2336 83.95566       145.5526 222.8993       231.5839 59.28588 24.85561 76.69831 31.68630 -17.41243      40.27187 
1 1 1 -7  44 17 o 76.33038 24.95113 220.2004       128.5478 373.6198       160.7955 -51.50358      213.9843 97.27883 27.15362 56.40134 26.31548 40.87749       37.81301 
1 1 1 -7  45 1  o 74.20616 24.99163 201.2750       128.7220 683.6006       279.6035 71.55611       145.0020 122.1624 36.34517 58.48785 24.68144 63.67459       43.93341 
1 1 1 -7  45 2  o 79.38197 25.11237 234.5002       130.9492 346.1113       271.6429 200.7113       149.4622 88.45447 35.11057 73.98071 26.78514 14.47376       44.16102 
1 1 1 -7  45 3  o 82.40054 25.13115 253.9189       132.4860 256.6469       270.4096 253.0572       151.9765 81.13721 33.93817 81.20374 27.15336 -0.6652069E-01 43.46383 
1 1 1 -7  45 4  o 66.77338 25.00299 151.0417       132.0757 139.0446       273.1617 154.7021       150.8849 73.03754 32.31522 68.05106 26.41795 4.986488       41.73945 
1 1 1 -7  45 5  o 76.11874 25.65818 215.8447       135.6791 61.06505       286.3577 260.6508       154.0710 69.22974 31.62757 82.06241 27.33768 -12.83266      41.80493 
1 1 1 -7  45 6  o 75.27957 31.70533 195.1952       238.5244 437.1027       288.5400 -326.8958      423.8912 95.23206 36.64952 64.74220 31.85000 30.48986       48.55523 
1 1 1 -7  45 7  o 75.42308 32.19858 193.0909       251.6865 118.9264       297.6840 379.0069       471.3201 72.68378 32.82521 88.46136 40.47498 -15.77758      52.11255 
1 1 1 -7  45 8  o 125.8098 34.67982 703.0085       264.0992 779.0602       318.4648 535.5236       472.6011 124.9207 39.11388 95.06937 42.26012 29.85134       57.58310 
1 1 1 -7  45 9  o 128.8656 20.87247 574.7482       152.3559 700.4949       161.7822 -410.9715      452.9592 143.5444 19.73952 64.36526 31.89543 79.17909       37.50956 
1 1 1 -7  45 10 o 82.14052 25.65987 257.2705       137.1410 219.2583       149.0351 467.3052       350.3263 75.97654 26.83291 94.23164 38.95501 -18.25510      47.30219 
1 1 1 -7  45 11 o 86.85230 24.54724 282.8051       130.5524 344.7982       141.4487 -73.70000      339.2032 95.80498 24.93646 66.22472 31.56332 29.58026       40.22525 
1 1 1 -7  45 12 o 68.52943 24.76103 167.5602       127.6441 226.1599       137.4220 -200.8201      344.5536 77.15486 25.82079 62.21100 30.18907 14.94386       39.72522 
1 1 1 -7  45 13 f 80.07452 24.73011 242.4232       127.7892 270.6819       138.1905 75.62082       335.7406 83.85271 25.68440 71.53249 33.23598 12.32022       42.00380 
1 1 1 -7  45 14 o 53.16548 22.27945 58.48844       116.8628 9.905724       128.6316 288.1364       279.6649 49.84943 22.10938 81.55283 34.33820 -31.70339      40.84038 
1 1 1 -7  46 1  o 54.18816 23.09249 50.66564       129.0535 169.1313       298.4045 23.41035       143.1313 75.33556 33.52869 53.41210 23.52199 21.92346       40.95678 
1 1 1 -7  46 2  o 51.42660 22.28276 30.31857       123.9924 -3.260742      300.0298 37.23478       136.1641 66.58426 31.09751 53.75361 23.32066 12.83065       38.87040 
1 1 1 -7  46 3  o 47.14606 21.46713 -29.12680      130.5247 -103.6194      296.4606 -11.21478      145.3727 62.07912 29.56511 50.83732 22.95078 11.24180       37.42772 
1 1 1 -7  46 4  o 50.18946 22.45322 -1.370209      135.6489 -58.33491      268.4351 18.16481       157.1967 61.61699 28.98022 54.71402 24.34403 6.902969       37.84818 
1 1 1 -7  46 5  o 46.15238 21.25315 -46.70967      132.8418 153.5757       254.5461 -121.6760      155.7310 72.35736 31.63073 45.18048 21.49192 27.17688       38.24142 
1 1 1 -7  46 6  o 55.05634 23.61574 51.31540       136.5671 185.1943       267.6812 4.206079       158.7871 74.90142 32.59464 53.74640 24.14913 21.15502       40.56589 
1 1 1 -7  46 7  o 224.7012 13.21125 1586.448       173.3322 1747.631       308.0063 1511.745       209.6871 219.4451 24.34114 215.0450 16.75838 4.400101       29.55223 
1 1 1 -7  46 8  o 56.00322 26.54201 -101.1734      233.2365 -149.3199      270.6332 37.82329       459.8343 57.64330 27.66630 75.01547 36.01954 -17.37217      45.41840 
1 1 1 -7  46 9  o 64.74998 28.76962 80.65000       218.7799 126.9525       286.0317 15.36905       339.6292 71.45052 32.23075 68.91058 32.46842 2.539940       45.74953 
1 1 1 -6  0  1  o 509.5243 12.94891 7634.975       386.3797 7634.975       386.3797 7634.975       386.3797 509.5243 12.94891 509.5243 12.94891 0.000000       0.000000 
1 1 1 -6  0  2  o 29.05138 18.18122 13.52045       63.81700 13.52045       63.81700 13.52045       63.81700 29.05138 18.18122 29.05138 18.18122 0.000000       0.000000 
1 1 1 -6  0  3  f 41.93147 21.37779 75.74795       66.11340 75.74795       66.11340 75.74795       66.11340 41.93147 21.37779 41.93147 21.37779 -0.000000      0.000000 
1 1 1 -6  0  4  o 301.5153 9.456883 2675.222       166.8548 2675.222       166.8548 2675.222       166.8548 301.5153 9.456883 301.5153 9.456883 0.000000       0.000000 
1 1 1 -6  0  5  o 989.7773 22.90693 28873.94       1328.096 28873.94       1328.096 28873.94       1328.096 989.7773 22.90693 989.7773 22.90693 0.000000       0.000000 
1 1 1 -6  0  6  f 120.5815 9.758657 434.9716       67.93848 434.9716       67.93848 434.9716       67.93848 120.5815 9.758657 120.5815 9.758657 -0.000000      0.000000 
1 1 1 -6  0  7  o 729.7825 17.32118 15682.04       740.4037 15682.04       740.4037 15682.04       740.4037 729.7825 17.32118 729.7825 17.32118 -0.000000      0.000000 
1 1 1 -6  0  8  o 248.5352 8.611764 1819.102       125.1830 1819.102       125.1830 1819.102       125.1830 248.5352 8.611764 248.5352 8.611764 -0.000000      0.000000 
1 1 1 -6  0  9  o 584.0150 14.29022 10041.50       488.7936 10041.50       488.7936 10041.50       488.7936 584.0150 14.29022 584.0150 14.29022 -0.000000      0.000000 
1 1 1 -6  0  10 o 187.9590 8.119823 1042.542       89.12671 1042.542       89.12671 1042.542       89.12671 187.9590 8.119823 187.9590 8.119823 0.000000       0.000000 
1 1 1 -6  0  11 o 685.3292 16.37679 13836.85       657.3821 13836.85       657.3821 13836.85       657.3821 685.3292 16.37679 685.3292 16.37679 -0.000000      0.000000 
1 1 1 -6  0  12 o 343.8337 9.774990 3478.306       196.7527 3478.306       196.7527 3478.306       196.7527 343.8337 9.774990 343.8337 9.774990 -0.000000      0.000000 
1 1 1 -6  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  14 o 611.4574 14.83267 10998.46       531.2004 10998.46       531.2004 10998.46       531.2004 611.4574 14.83267 611.4574 14.83267 -0.000000      0.000000 
1 1 1 -6  0  15 o 505.3898 12.72058 7510.652       376.4973 7510.652       376.4973 7510.652       376.4973 505.3898 12.72058 505.3898 12.72058 0.000000       0.000000 
1 1 1 -6  0  16 o 834.7274 19.52682 20504.27       954.7501 20504.27       954.7501 20504.27       954.7501 834.7274 19.52682 834.7274 19.52682 -0.000000      0.000000 
1 1 1 -6  0  17 o 1176.165 26.95673 40776.57       1857.251 40776.57       1857.251 40776.57       1857.251 1176.165 26.95673 1176.165 26.95673 -0.000000      0.000000 
1 1 1 -6  0  18 o 457.2257 11.97064 6147.477       320.4979 6147.477       320.4979 6147.477       320.4979 457.2257 11.97064 457.2257 11.97064 0.000000       0.000000 
1 1 1 -6  0  19 o 204.1160 9.921503 1231.026       118.1270 1231.026       118.1270 1231.026       118.1270 204.1160 9.921503 204.1160 9.921503 -0.000000      0.000000 
1 1 1 -6  0  20 o 721.6523 17.26129 15324.50       729.6089 15324.50       729.6089 15324.50       729.6089 721.6523 17.26129 721.6523 17.26129 0.000000       0.000000 
1 1 1 -6  0  21 o 567.5576 20.19108 9506.580       670.1470 9506.580       670.1470 9506.580       670.1470 567.5576 20.19108 567.5576 20.19108 0.000000       0.000000 
1 1 1 -6  0  22 o 398.6533 9.173444 4670.496       214.2193 4670.496       214.2193 4670.496       214.2193 398.6533 9.173444 398.6533 9.173444 0.000000       0.000000 
1 1 1 -6  0  23 o 262.6689 8.488666 2030.768       130.4575 2030.768       130.4575 2030.768       130.4575 262.6689 8.488666 262.6689 8.488666 -0.000000      0.000000 
1 1 1 -6  0  24 o 163.4003 9.908660 792.3029       94.14713 792.3029       94.14713 792.3029       94.14713 163.4003 9.908660 163.4003 9.908660 0.000000       0.000000 
1 1 1 -6  0  25 o 379.3530 8.966593 4231.012       199.2384 4231.012       199.2384 4231.012       199.2384 379.3530 8.966593 379.3530 8.966593 0.000000       0.000000 
1 1 1 -6  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  27 o 239.2067 8.018011 1685.307       112.1973 1685.307       112.1973 1685.307       112.1973 239.2067 8.018011 239.2067 8.018011 -0.000000      0.000000 
1 1 1 -6  0  28 o 110.1333 12.68489 370.6049       79.11276 370.6049       79.11276 370.6049       79.11276 110.1333 12.68489 110.1333 12.68489 0.000000       0.000000 
1 1 1 -6  0  29 o 206.5995 8.527437 1259.912       102.9223 1259.912       102.9223 1259.912       102.9223 206.5995 8.527437 206.5995 8.527437 -0.000000      0.000000 
1 1 1 -6  0  30 o 163.6614 9.387918 794.7668       89.42467 794.7668       89.42467 794.7668       89.42467 163.6614 9.387918 163.6614 9.387918 -0.000000      0.000000 
1 1 1 -6  0  31 o 190.3702 8.575100 1071.111       95.29541 1071.111       95.29541 1071.111       95.29541 190.3702 8.575100 190.3702 8.575100 -0.000000      0.000000 
1 1 1 -6  0  32 o 328.8090 8.845972 3183.611       170.3055 3183.611       170.3055 3183.611       170.3055 328.8090 8.845972 328.8090 8.845972 -0.000000      0.000000 
1 1 1 -6  0  33 o 51.69727 25.65323 117.1902       93.87820 117.1902       93.87820 117.1902       93.87820 51.69727 25.65323 51.69727 25.65323 -0.000000      0.000000 
1 1 1 -6  0  34 o 526.2643 11.67174 8161.478       359.8383 8161.478       359.8383 8161.478       359.8383 526.2643 11.67174 526.2643 11.67174 -0.000000      0.000000 
1 1 1 -6  0  35 o 30.73713 20.49530 -31.07270      100.3954 -31.07270      100.3954 -31.07270      100.3954 30.73713 20.49530 30.73713 20.49530 -0.000000      0.000000 
1 1 1 -6  0  36 o 706.2777 14.41696 14738.49       596.6109 14738.49       596.6109 14738.49       596.6109 706.2777 14.41696 706.2777 14.41696 -0.000000      0.000000 
1 1 1 -6  0  37 o 103.7580 20.09171 352.5035       109.0740 352.5035       109.0740 352.5035       109.0740 103.7580 20.09171 103.7580 20.09171 0.000000       0.000000 
1 1 1 -6  0  38 o 126.0532 15.80236 491.7048       111.8565 491.7048       111.8565 491.7048       111.8565 126.0532 15.80236 126.0532 15.80236 0.000000       0.000000 
1 1 1 -6  0  39 o 135.0663 16.16140 563.1747       123.1788 563.1747       123.1788 563.1747       123.1788 135.0663 16.16140 135.0663 16.16140 0.000000       0.000000 
1 1 1 -6  0  40 o 215.4687 11.63844 1382.351       146.0849 1382.351       146.0849 1382.351       146.0849 215.4687 11.63844 215.4687 11.63844 0.000000       0.000000 
1 1 1 -6  0  41 o 140.7943 15.54662 610.0270       124.3828 610.0270       124.3828 610.0270       124.3828 140.7943 15.54662 140.7943 15.54662 0.000000       0.000000 
1 1 1 -6  0  42 o 49.87664 27.44867 109.3119       116.1219 109.3119       116.1219 109.3119       116.1219 49.87664 27.44867 49.87664 27.44867 0.000000       0.000000 
1 1 1 -6  0  43 o 128.3600 16.59938 517.6409       119.2136 517.6409       119.2136 517.6409       119.2136 128.3600 16.59938 128.3600 16.59938 0.000000       0.000000 
1 1 1 -6  0  44 o 36.44521 23.36094 14.60640       112.8437 14.60640       112.8437 14.60640       112.8437 36.44521 23.36094 36.44521 23.36094 0.000000       0.000000 
1 1 1 -6  0  45 o 38.38690 26.56521 -129.7547      204.4999 -129.7547      204.4999 -129.7547      204.4999 38.38690 26.56521 38.38690 26.56521 0.000000       0.000000 
1 1 1 -6  0  46 o 33.75911 22.66231 -34.21613      126.4715 -34.21613      126.4715 -34.21613      126.4715 33.75911 22.66231 33.75911 22.66231 0.000000       0.000000 
1 1 1 -6  0  47 o 32.87531 22.36303 -54.89050      131.3699 -54.89050      131.3699 -54.89050      131.3699 32.87531 22.36303 32.87531 22.36303 -0.000000      0.000000 
1 1 1 -6  0  48 o 36.64246 24.40531 -19.26102      141.6664 -19.26102      141.6664 -19.26102      141.6664 36.64246 24.40531 36.64246 24.40531 -0.000000      0.000000 
1 1 1 -6  0  49 o 97.72336 31.33514 389.8090       158.3515 389.8090       158.3515 389.8090       158.3515 97.72336 31.33514 97.72336 31.33514 -0.000000      0.000000 
1 1 1 -6  0  50 o 48.57740 29.15234 102.7084       149.0996 102.7084       149.0996 102.7084       149.0996 48.57740 29.15234 48.57740 29.15234 -0.000000      0.000000 
1 1 1 -6  0  51 o 37.79906 25.70716 -51.49310      173.4152 -51.49310      173.4152 -51.49310      173.4152 37.79906 25.70716 37.79906 25.70716 -0.000000      0.000000 
1 1 1 -6  1  1  o 595.7361 10.30658 10419.90       360.0965 10606.64       515.7135 10242.24       503.0299 600.6744 14.63925 590.2766 14.53074 10.39783       20.62644 
1 1 1 -6  1  2  o 211.1556 6.381212 1309.272       78.93283 1234.224       109.5642 1390.254       113.8128 204.8530 9.142635 217.4535 8.943386 -12.60054      12.78952 
1 1 1 -6  1  3  o 325.4881 6.907333 3108.436       131.8548 3044.156       184.1866 3176.007       188.8423 321.8643 9.768718 328.7646 9.805038 -6.900330      13.84076 
1 1 1 -6  1  4  o 64.79217 11.54368 127.0157       42.25638 149.5631       57.11267 99.74358       62.81220 70.05151 14.38360 57.87657 17.22831 12.17494       22.44332 
1 1 1 -6  1  5  o 287.3971 6.505771 2423.446       109.6558 2386.438       154.0681 2461.439       156.1055 284.9630 9.230968 289.4124 9.208812 -4.449371      13.03890 
1 1 1 -6  1  6  f 409.7166 7.752081 4926.888       186.2741 4915.099       263.3441 4938.692       263.5186 408.8963 10.99142 409.8790 10.97225 -0.9827271     15.53067 
1 1 1 -6  1  7  o 188.2415 5.944360 1040.729       65.54298 1032.382       92.54494 1049.128       92.83930 187.3331 8.445122 188.8522 8.403267 -1.519196      11.91365 
1 1 1 -6  1  8  f 205.5652 5.852800 1240.953       70.48904 1207.357       99.12417 1275.323       100.2586 202.6049 8.360131 208.2486 8.225157 -5.643692      11.72796 
1 1 1 -6  1  9  o 524.0291 9.227864 8067.368       283.6006 8100.342       402.1819 8034.754       399.9707 524.6129 13.07173 522.4875 13.05274 2.125427       18.47280 
1 1 1 -6  1  10 o 309.3780 6.515157 2809.469       118.2129 2790.842       166.9645 2828.191       167.3928 308.0595 9.251911 310.1195 9.213806 -2.059937      13.05726 
1 1 1 -6  1  11 o 239.5086 5.898015 1683.427       82.84712 1755.158       120.1433 1618.397       114.3950 244.3187 8.397276 234.6010 8.327526 9.717789       11.82632 
1 1 1 -6  1  12 o 249.7967 5.933904 1830.998       86.93159 1835.354       123.5364 1826.725       122.3518 249.8651 8.442342 249.2809 8.380866 0.5841827      11.89588 
1 1 1 -6  1  13 f 505.8070 8.965304 7511.732       265.9502 7395.624       372.1279 7632.947       380.2236 501.4083 12.66479 509.5449 12.72348 -8.136566      17.95227 
1 1 1 -6  1  14 o 123.3738 6.228287 447.6982       44.91951 472.0642       63.98547 424.0201       63.07587 126.5220 8.675631 119.8474 9.040623 6.674683       12.52994 
1 1 1 -6  1  15 o 991.1155 16.14761 28886.20       938.6051 29098.63       1335.100 28678.60       1319.808 993.3395 22.91742 986.1680 22.81967 7.171509       32.34108 
1 1 1 -6  1  16 o 606.0864 10.39240 10783.44       369.4035 10786.16       522.4977 10780.72       522.3332 605.8361 14.70546 605.6833 14.70454 0.1527710      20.79601 
1 1 1 -6  1  17 o 899.4266 14.75884 23773.81       778.5176 23915.46       1106.292 23634.85       1095.764 901.1099 20.93349 895.8220 20.85665 5.287842       29.55014 
1 1 1 -6  1  18 o 218.6975 6.467152 1404.357       82.85719 1369.317       117.7083 1438.773       116.6543 215.7945 9.322705 221.2293 9.009845 -5.434723      12.96496 
1 1 1 -6  1  19 o 353.3910 7.406004 3664.338       153.4935 3576.924       215.1951 3754.870       218.9999 348.8839 10.52927 357.4695 10.45735 -8.585571      14.83987 
1 1 1 -6  1  20 o 565.7409 9.096919 9394.723       301.8300 8728.518       632.6877 9591.015       343.4294 543.9464 19.86612 571.5450 10.24558 -27.59869      22.35250 
1 1 1 -6  1  21 f 296.8258 6.688263 2585.100       116.4302 2529.463       250.6268 2600.412       131.4787 292.9283 14.63502 297.5848 7.539526 -4.656433      16.46294 
1 1 1 -6  1  22 f 639.6425 9.991985 12015.00       374.8345 11887.64       817.2794 12048.92       421.8147 634.1061 22.00985 640.4230 11.23063 -6.316895      24.70952 
1 1 1 -6  1  23 o 397.7830 6.522330 4643.335       152.1597 4570.532       214.3555 4717.278       216.0267 394.5057 9.264688 400.7936 9.190436 -6.287842      13.04985 
1 1 1 -6  1  24 o 418.9431 6.662009 5151.354       163.6857 5209.396       232.8724 5094.672       230.1251 421.1068 9.429210 416.4446 9.422286 4.662201       13.33002 
1 1 1 -6  1  25 o 151.8386 6.881952 678.2024       61.12429 785.3716       88.99015 582.4824       84.10239 163.2209 9.335354 140.3898 10.28601 22.83105       13.89068 
1 1 1 -6  1  26 o 233.4473 6.338513 1601.049       86.70110 1704.810       113.3363 1454.657       134.6201 240.7661 8.037713 222.1530 10.36109 18.61310       13.11324 
1 1 1 -6  1  27 o 216.1240 5.721826 1372.130       72.46127 1376.829       104.0855 1367.711       100.9384 216.2910 8.220391 215.5936 7.996927 0.6973724      11.46846 
1 1 1 -6  1  28 o 234.8125 5.771715 1618.844       79.48343 1676.289       115.6025 1567.339       109.4618 238.6435 8.272265 230.7665 8.100526 7.876968       11.57795 
1 1 1 -6  1  29 o 57.57876 15.30420 101.6222       52.56101 197.9237       72.92038 -2.517608      75.82996 80.33986 16.03836 41.19224 17.63166 39.14762       23.83494 
1 1 1 -6  1  30 o 76.69688 12.05691 177.7885       52.44545 183.0502       74.34592 172.5766       73.99347 77.02854 16.92070 74.73378 17.23409 2.294762       24.15210 
1 1 1 -6  1  31 o 123.2821 8.482607 449.3740       60.95714 471.6838       85.11772 425.8851       87.33798 125.8722 11.66290 119.3817 12.66737 6.490547       17.21875 
1 1 1 -6  1  32 o 367.7137 6.450406 3973.484       139.1065 3885.809       190.3811 4073.906       203.7514 363.2769 8.935843 371.7769 9.352176 -8.500031      12.93493 
1 1 1 -6  1  33 o 206.8416 6.816923 1258.907       82.58159 1179.015       119.3333 1332.328       114.3990 199.7268 10.22166 212.4995 9.201194 -12.77266      13.75297 
1 1 1 -6  1  34 o 232.2861 7.239046 1587.978       98.49735 1620.440       142.5657 1558.332       136.2420 234.2015 10.40544 229.7041 10.13825 4.497360       14.52781 
1 1 1 -6  1  35 o 25.75957 12.71617 -153.2322      69.55948 -106.5928      103.7541 -191.3102      93.74894 38.46500 18.06791 30.60766 15.04179 7.857346       23.50967 
1 1 1 -6  1  36 o 155.6889 8.832018 716.4341       80.31248 705.2692       113.2932 727.7124       113.8669 153.8249 12.67042 156.2970 12.52695 -2.472092      17.81752 
1 1 1 -6  1  37 o 88.36732 14.97660 238.7036       74.84778 323.9894       104.4822 148.7981       107.2745 102.5407 18.03178 70.65057 22.77052 31.89017       29.04552 
1 1 1 -6  1  38 o 178.5710 8.635327 942.7748       90.16771 927.8242       128.3768 957.3312       126.6731 176.3600 12.49269 179.2437 12.12137 -2.883682      17.40675 
1 1 1 -6  1  39 o 198.9280 8.331492 1169.466       96.98546 1106.129       134.2455 1238.615       140.2691 192.6656 11.93944 203.9604 11.77649 -11.29482      16.77010 
1 1 1 -6  1  40 o 112.0221 14.23663 381.0335       91.42237 363.3340       131.9300 397.3843       126.8038 107.0842 21.75029 112.7216 19.90897 -5.637398      29.48630 
1 1 1 -6  1  41 o 231.7370 7.729840 1587.609       104.9079 1668.346       149.0896 1508.428       147.6453 236.6704 10.76942 224.8642 11.23119 11.80615       15.56021 
1 1 1 -6  1  42 o 187.5683 8.762693 1045.647       96.12704 940.1867       134.4090 1156.068       137.5332 176.3773 13.08701 196.1149 12.01534 -19.73761      17.76621 
1 1 1 -6  1  43 o 105.4856 13.23728 341.1816       80.09358 264.8111       114.6187 414.0588       111.9667 89.59863 21.98103 114.7983 17.15588 -25.19968      27.88351 
1 1 1 -6  1  44 o 96.17259 18.78257 298.5425       102.1375 20.82345       200.5893 395.7504       118.6740 64.13944 28.05766 111.0217 18.90296 -46.88222      33.83126 
1 1 1 -6  1  45 o 178.9224 10.06277 962.8942       105.1669 1014.935       150.1980 912.8414       147.3011 181.4828 14.22527 171.7410 14.76778 9.741852       20.50477 
1 1 1 -6  1  46 o 92.56949 17.20274 277.0652       89.95642 322.9237       126.8730 230.7052       127.5650 97.12001 22.68655 81.38690 24.62692 15.73311       33.48380 
1 1 1 -6  1  47 o 59.62247 21.41743 108.6941       95.33377 8.360016       130.7431 222.6056       139.3088 51.71387 22.63634 79.32384 25.97721 -27.60997      34.45605 
1 1 1 -6  1  48 o 106.7747 17.81973 373.5939       107.6585 565.8864       159.8819 214.0779       145.6197 128.6773 21.97425 77.30680 26.57234 51.37048       34.48125 
1 1 1 -6  1  49 o 55.51841 21.94801 79.91198       105.7478 -20.23437      150.4261 177.7586       148.6889 51.61091 23.31881 71.70084 26.59117 -20.08994      35.36746 
1 1 1 -6  1  50 o 67.91435 22.80506 160.7455       107.1871 60.32551       165.9902 232.5681       140.3793 59.83966 25.85484 78.93414 26.08816 -19.09447      36.72961 
1 1 1 -6  1  51 o 57.07869 22.74732 88.48891       114.4632 233.3548       173.2726 -23.67597      152.4668 77.91847 28.73998 51.08698 23.23816 26.83149       36.95942 
1 1 1 -6  2  1  f 241.2081 6.402285 1708.131       90.48848 1765.195       129.3325 1653.410       126.6498 245.0665 9.013921 237.1622 9.122609 7.904282       12.82469 
1 1 1 -6  2  2  o 126.6816 7.403115 472.5114       54.76234 361.2357       74.25014 605.2418       81.09274 110.2890 11.65539 143.2571 9.709325 -32.96809      15.16968 
1 1 1 -6  2  3  o 690.4167 11.65428 14001.54       471.8969 13851.51       661.4893 14157.02       673.3960 686.1359 16.43850 693.6449 16.55323 -7.508972      23.32882 
1 1 1 -6  2  4  o 338.4844 7.009624 3361.824       139.1502 3179.617       190.0715 3572.272       204.2711 328.9338 9.863906 348.6601 10.00007 -19.72629      14.04628 
1 1 1 -6  2  5  o 646.6846 11.00983 12283.93       417.5645 11884.25       576.3723 12725.43       605.7751 635.5569 15.46316 657.6306 15.70648 -22.07367      22.04094 
1 1 1 -6  2  6  o 772.5663 12.86026 17546.34       582.6878 17611.53       826.6974 17481.98       821.4179 773.0177 18.23504 770.1799 18.18534 2.837830       25.75312 
1 1 1 -6  2  7  o 248.2737 6.136706 1808.683       89.35453 1716.967       124.3741 1906.521       128.4576 241.6558 8.790357 254.6755 8.612857 -13.01974      12.30657 
1 1 1 -6  2  8  o 251.0354 6.107672 1849.323       89.92101 1752.908       125.2507 1951.874       129.1751 244.1518 8.761417 257.6683 8.559938 -13.51653      12.24888 
1 1 1 -6  2  9  o 103.2144 6.754980 314.0404       40.66508 316.0522       57.86096 312.0769       57.16360 103.2627 9.666497 102.6119 9.610688 0.6507721      13.63109 
1 1 1 -6  2  10 o 270.9866 6.169082 2155.230       98.04350 2237.084       141.3371 2079.309       136.1190 275.8255 8.748241 265.9117 8.740197 9.913788       12.36619 
1 1 1 -6  2  11 o 635.2938 10.81228 11865.11       402.8491 12111.96       578.5284 11632.76       561.2917 641.0356 15.38835 628.2589 15.23349 12.77673       21.65319 
1 1 1 -6  2  12 o 349.3865 6.958028 3582.847       142.5748 3611.823       203.0381 3554.660       200.2532 350.4954 9.887328 347.7139 9.829761 2.781555       13.94215 
1 1 1 -6  2  13 o 208.7726 8.036473 1281.261       98.21499 1260.381       135.8672 1304.114       142.1389 206.8160 11.24388 210.3548 11.56604 -3.538788      16.13066 
1 1 1 -6  2  14 o 653.1346 11.06736 12528.19       423.9331 12282.93       590.8434 12788.42       608.6155 646.2255 15.58970 659.3697 15.73851 -13.14423      22.15264 
1 1 1 -6  2  15 o 126.8592 7.411006 473.8005       54.89773 515.9836       68.34208 397.0722       92.17159 132.2993 8.859118 115.4194 13.89578 16.87985       16.47959 
1 1 1 -6  2  16 o 800.0174 13.25061 18800.90       621.7072 18328.00       862.1603 19313.19       897.3484 789.2194 18.62686 810.1141 18.88706 -20.89471      26.52699 
1 1 1 -6  2  17 o 405.5222 7.732227 4825.150       183.8949 4820.571       260.3344 4829.710       259.7999 405.0587 10.96890 405.4451 10.93586 -0.3863831     15.48902 
1 1 1 -6  2  18 o 437.8736 8.200828 5626.335       210.5993 5719.782       301.5572 5537.367       294.2423 441.1817 11.66495 434.0923 11.56804 7.089325       16.42835 
1 1 1 -6  2  19 o 382.4473 7.071531 4291.469       158.6118 4280.977       350.5888 4294.169       177.8544 381.2403 15.71378 382.5402 7.927512 -1.299957      17.60024 
1 1 1 -6  2  20 o 655.7905 10.27295 12627.03       395.1033 11963.72       832.3391 12819.96       448.9031 636.4495 22.33364 660.6680 11.58561 -24.21851      25.15984 
1 1 1 -6  2  21 o 397.3604 7.319050 4633.360       170.5650 4541.672       367.2070 4658.585       192.6032 392.5659 15.98295 398.4029 8.243098 -5.836975      17.98342 
1 1 1 -6  2  22 o 379.7486 6.952263 4231.763       154.8363 4490.882       354.6707 4170.750       172.1028 390.3453 15.52361 376.9672 7.784559 13.37817       17.36611 
1 1 1 -6  2  23 o 325.2088 6.517990 3103.604       124.3158 3251.024       279.9759 3067.402       138.7430 332.0570 14.41095 323.2754 7.317924 8.781586       16.16254 
1 1 1 -6  2  24 o 342.7007 6.154891 3446.577       123.7046 3410.947       172.4841 3484.315       177.5138 340.6873 8.639590 344.3205 8.797810 -3.633179      12.33061 
1 1 1 -6  2  25 o 286.1244 8.038333 2406.262       134.7538 2406.262       134.7538 0.000000       0.000000 286.1244 8.038333 ?        ?        0.000000       8.038333 
1 1 1 -6  2  26 o 384.7775 6.353867 4346.460       143.3832 4192.116       196.3083 4522.958       209.9249 377.6803 8.862653 392.2745 9.124800 -14.59418      12.72040 
1 1 1 -6  2  27 o 286.1061 8.038505 2407.369       134.7480 0.000000       0.000000 2407.369       134.7480 ?        ?        286.1061 8.038505 0.000000       8.038505 
1 1 1 -6  2  28 o 99.69659 9.154517 294.8206       52.92914 275.4739       76.63844 312.4640       73.18700 95.56570 14.09674 102.1834 12.47049 -6.617752      18.82103 
1 1 1 -6  2  29 f 315.9592 6.006211 2931.852       111.2966 2847.758       151.9544 3029.175       163.4702 311.0656 8.336862 320.7769 8.697326 -9.711334      12.04769 
1 1 1 -6  2  30 o 229.8484 5.876899 1552.726       79.15602 1525.568       110.3468 1581.516       113.6116 227.5715 8.281635 231.7005 8.374527 -4.128983      11.77787 
1 1 1 -6  2  31 o 194.9044 6.315744 1117.344       72.09795 1126.628       100.6589 1107.564       103.3169 195.4342 8.804764 193.7288 9.118998 1.705368       12.67596 
1 1 1 -6  2  32 o 184.7396 6.626740 1004.334       71.68138 1081.298       102.4746 930.5934       100.3057 191.3973 9.155693 177.4555 9.674566 13.94183       13.32006 
1 1 1 -6  2  33 o 375.8778 6.682627 4152.432       147.3141 4206.917       207.3107 4096.858       209.3719 377.9240 9.353339 372.7851 9.584506 5.138885       13.39208 
1 1 1 -6  2  34 o 324.2990 6.571790 3090.798       124.9913 3143.605       176.1173 3037.207       177.4187 326.5837 9.204293 320.9632 9.435509 5.620514       13.18134 
1 1 1 -6  2  35 o 42.78548 17.57257 18.61592       70.67649 -73.22141      101.1809 106.1220       98.76613 40.43286 18.59347 62.60493 21.86466 -22.17207      28.70158 
1 1 1 -6  2  36 o 398.1786 7.010985 4663.254       163.7222 4778.104       235.6863 4556.148       227.6015 402.4277 9.986100 392.8718 9.885959 9.555878       14.05185 
1 1 1 -6  2  37 o 315.2075 6.695228 2922.751       123.7692 2725.743       163.7458 3185.320       189.0381 303.8352 9.199877 328.3175 9.828655 -24.48230      13.46255 
1 1 1 -6  2  38 o 135.4724 10.63625 546.2872       83.82926 463.1869       114.2426 643.2280       123.3901 123.4131 16.17275 146.1785 14.58740 -22.76537      21.77958 
1 1 1 -6  2  39 o 159.7242 9.289494 756.2627       86.64329 670.1231       120.4958 848.4816       124.6753 149.2898 13.92284 168.4512 12.71374 -19.16147      18.85430 
1 1 1 -6  2  40 o 160.1291 10.16317 762.6577       94.95182 879.9992       136.4031 652.3408       132.2572 171.1082 13.70717 146.5973 15.62352 24.51086       20.78415 
1 1 1 -6  2  41 o 29.07096 14.23745 -154.8766      81.76382 -205.1249      114.9302 -103.3828      116.3458 34.89031 17.04317 41.29076 19.31078 -6.400448      25.75609 
1 1 1 -6  2  42 o 57.98680 20.04779 97.36584       82.93073 -9.939680      119.9007 195.7825       114.8273 49.63955 21.70409 77.78507 23.32715 -28.14552      31.86257 
1 1 1 -6  2  43 o 218.1364 9.377317 1419.819       119.6855 1214.585       218.9408 1507.288       142.9326 196.3373 19.26162 224.0911 10.90844 -27.75386      22.13603 
1 1 1 -6  2  44 o 91.53902 16.41449 265.6425       84.88464 309.8723       123.0074 225.4310       117.2868 96.45078 22.20549 81.94962 23.30233 14.50117       32.18823 
1 1 1 -6  2  45 o 35.70408 16.70531 -73.79823      87.22629 -45.20266      129.0324 -97.86289      118.3694 47.39302 21.48676 41.25607 19.35344 6.136955       28.91776 
1 1 1 -6  2  46 o 146.4003 11.00846 651.3585       93.82665 743.6724       131.1180 554.4780       134.3219 154.4682 14.64853 131.3009 17.90967 23.16731       23.13732 
1 1 1 -6  2  47 o 111.4966 15.08710 393.1937       96.12565 262.3883       137.4887 518.2748       134.4467 85.62486 25.48930 125.9259 18.77792 -40.30101      31.65935 
1 1 1 -6  2  48 o 41.64622 19.46375 -81.13136      117.8644 -82.79884      143.8477 -77.72486      205.6019 46.42699 21.63314 55.91418 25.98933 -9.487190      33.81476 
1 1 1 -6  2  49 o 71.08412 22.62235 176.8594       106.1315 41.17706       149.2547 315.6321       150.9449 56.58305 24.48237 91.64177 26.55484 -35.05872      36.11850 
1 1 1 -6  2  50 o 57.89888 23.18557 88.90925       119.4948 -29.84410      172.4500 198.5907       165.7323 53.67689 24.53047 74.15804 27.95702 -20.48115      37.19326 
1 1 1 -6  2  51 o 79.15430 24.08116 231.0265       121.7473 244.0106       179.0916 219.8705       166.0055 79.15321 29.21449 76.27559 28.13140 2.877625       40.55690 
1 1 1 -6  3  1  o 306.7750 7.817077 2763.565       140.5274 2572.748       226.4259 2883.113       179.2209 295.6010 13.09329 313.2234 9.768218 -17.62241      16.33561 
1 1 1 -6  3  2  o 555.3669 9.734759 9055.192       317.0704 8966.775       445.3321 9146.094       451.5429 552.3220 13.74805 557.8121 13.80259 -5.490051      19.48128 
1 1 1 -6  3  3  o 188.6022 7.428833 1045.433       82.01015 1029.855       95.71057 1088.464       159.0712 187.1071 8.746264 191.8873 14.23638 -4.780167      16.70843 
1 1 1 -6  3  4  o 296.0823 6.605132 2572.195       114.6950 2534.927       159.9953 2611.594       164.5051 293.6970 9.300473 298.1013 9.421297 -4.404266      13.23857 
1 1 1 -6  3  5  o 257.4898 6.314808 1945.336       95.36099 1925.580       134.5039 1965.303       135.2206 255.9460 8.974463 258.5787 8.930007 -2.632721      12.66041 
1 1 1 -6  3  6  o 794.7380 13.19614 18573.33       615.0654 18542.52       869.1027 18604.24       870.5668 792.9597 18.68829 794.2782 18.68869 -1.318481      26.42952 
1 1 1 -6  3  7  o 437.0425 8.105813 5607.736       207.7643 5377.875       286.9234 5861.119       301.2456 427.5849 11.45208 446.3881 11.51650 -18.80319      16.24130 
1 1 1 -6  3  8  o 274.1861 6.272214 2206.340       100.8595 2230.790       144.1944 2182.919       141.1287 275.4390 8.938158 272.4724 8.843373 2.966522       12.57362 
1 1 1 -6  3  9  o 376.0325 7.307458 4151.375       161.1544 4081.775       226.3893 4222.874       229.4551 372.4972 10.37302 378.8899 10.33571 -6.392700      14.64331 
1 1 1 -6  3  10 o 449.5060 8.230861 5934.082       216.9857 5879.554       305.4172 5989.654       308.3320 446.9427 11.66171 451.1104 11.66406 -4.167725      16.49381 
1 1 1 -6  3  11 o 400.5793 7.599811 4711.076       178.5426 4858.040       257.7046 4575.418       247.5934 406.3853 10.82232 394.3911 10.71431 11.99417       15.22889 
1 1 1 -6  3  12 o 230.8581 5.891692 1564.813       79.70409 1583.735       114.3095 1546.908       111.1924 232.0986 8.411588 229.3900 8.278710 2.708649       11.80220 
1 1 1 -6  3  13 o 387.5781 8.602776 4409.677       195.5457 4445.723       240.8605 4339.979       334.9257 388.9094 10.56987 383.8028 14.90790 5.106567       18.27478 
1 1 1 -6  3  14 o 670.6105 11.32981 13207.77       445.5983 13303.66       634.0516 13114.20       626.3611 672.5167 16.07574 667.7210 15.99481 4.795715       22.67738 
1 1 1 -6  3  15 o 932.7262 15.25994 25573.25       834.7521 25077.32       1162.304 26101.54       1199.615 922.5377 21.48251 941.1352 21.73399 -18.59753      30.55920 
1 1 1 -6  3  16 o 910.6049 14.92444 24369.19       797.0370 24164.97       1120.283 24578.52       1134.207 905.7847 21.08883 913.4866 21.17091 -7.701904      29.88220 
1 1 1 -6  3  17 o 644.7656 10.97955 12205.44       415.1805 12447.01       596.3628 11978.23       578.3588 650.7087 15.62692 638.3555 15.44843 12.35321       21.97395 
1 1 1 -6  3  18 o 768.4997 11.69318 17343.58       527.0198 16583.98       1119.513 17559.85       597.3505 749.0131 25.52254 773.1251 13.17434 -24.11200      28.72218 
1 1 1 -6  3  19 o 155.6227 7.749137 712.4149       70.50314 847.0505       168.9938 684.0434       77.57676 168.7979 17.31600 152.4191 8.714766 16.37881       19.38533 
1 1 1 -6  3  20 o 767.2883 11.76161 17292.92       529.2682 16934.39       1139.042 17391.65       597.7131 756.4678 25.71168 769.3017 13.24785 -12.83392      28.92397 
1 1 1 -6  3  21 o 510.8078 8.356394 7658.442       250.3381 7869.940       566.8373 7607.195       279.0239 516.5089 18.74351 509.0363 9.346350 7.472504       20.94453 
1 1 1 -6  3  22 o 209.7993 6.388532 1292.696       78.51442 1226.423       177.5726 1308.801       87.53595 203.6211 14.97445 211.0666 7.081608 -7.445511      16.56452 
1 1 1 -6  3  23 o 546.1935 8.759483 8760.052       280.5922 8931.396       631.1511 8717.845       313.2507 549.6642 19.61019 544.7821 9.804348 4.882080       21.92453 
1 1 1 -6  3  24 o 265.6215 6.217421 2070.608       96.85543 2078.479       216.5281 2068.640       108.2936 265.3300 13.96397 265.3768 6.964095 -0.4678345E-01 15.60420 
1 1 1 -6  3  25 o 98.06686 9.541704 285.2917       54.18502 260.7922       74.07240 313.4920       79.47044 93.06220 14.00536 102.2830 13.58353 -9.220787      19.51057 
1 1 1 -6  3  26 o 343.0403 6.062130 3454.384       121.9610 3381.948       166.7880 3537.623       178.7950 339.2610 8.382632 346.8352 8.796956 -7.574249      12.15134 
1 1 1 -6  3  27 o 107.3017 8.472299 340.5315       52.88377 468.8525       76.80869 224.8731       72.92057 125.7802 10.50826 86.02769 14.99810 39.75246       18.31301 
1 1 1 -6  3  28 o 223.5995 5.850981 1469.014       76.66142 1368.427       103.0558 1593.636       114.7093 215.5955 8.165218 232.6565 8.420736 -17.06102      11.72943 
1 1 1 -6  3  29 o 121.0563 8.183625 432.9053       57.75953 372.3768       77.52877 508.4070       86.58876 111.7131 12.02239 130.8238 11.39931 -19.11074      16.56750 
1 1 1 -6  3  30 o 280.0946 5.855057 2304.300       96.18037 2267.649       134.1705 2343.043       137.9473 277.5136 8.252872 282.0799 8.347732 -4.566315      11.73859 
1 1 1 -6  3  31 o 199.6577 6.340887 1172.494       74.15417 1076.193       100.6375 1286.889       109.6854 190.9712 9.010893 208.8727 8.974932 -17.90146      12.71792 
1 1 1 -6  3  32 f 443.9888 7.113832 5795.580       185.2363 5749.642       258.4349 5844.115       265.6411 441.6699 9.977068 445.2386 10.17307 -3.568665      14.24897 
1 1 1 -6  3  33 o 263.2683 6.397329 2036.679       98.77516 1980.100       134.1019 2103.778       146.0386 259.1926 8.834808 267.0951 9.337266 -7.902466      12.85451 
1 1 1 -6  3  34 o 248.7334 8.173070 1822.389       119.0638 1973.309       145.9099 1521.629       205.9788 258.6165 9.636918 225.8569 15.64703 32.75966       18.37661 
1 1 1 -6  3  35 o 244.5941 6.880478 1760.299       98.60148 1701.583       137.4976 1822.460       141.4745 240.0586 9.786757 248.4625 9.727625 -8.403915      13.79881 
1 1 1 -6  3  36 o 206.1606 7.330250 1252.050       88.48776 1313.115       123.4639 1187.552       126.8875 210.7226 10.01899 200.2232 10.84622 10.49944       14.76552 
1 1 1 -6  3  37 o 235.7469 7.314194 1637.538       101.0037 1636.110       139.0122 1639.134       147.0042 235.1355 10.10413 235.2276 10.68381 -0.9210205E-01 14.70501 
1 1 1 -6  3  38 o 133.7041 10.57099 532.1468       82.21772 555.6051       112.0135 504.7466       121.0595 135.8267 14.27470 128.8428 16.39151 6.983856       21.73588 
1 1 1 -6  3  39 o 69.32253 19.57210 149.7689       83.04039 58.09489       115.3284 248.4675       119.6654 57.37109 22.84324 88.38582 22.90146 -31.01472      32.34641 
1 1 1 -6  3  40 o 293.5457 7.473384 2542.777       128.5554 2629.324       183.8545 2459.986       179.8221 297.5803 10.55133 287.7848 10.67278 9.795532       15.00796 
1 1 1 -6  3  41 o 124.7099 12.53075 469.1552       90.40835 555.6772       125.5979 376.1165       130.2420 134.6385 16.23327 108.7041 21.19104 25.93443       26.69418 
1 1 1 -6  3  42 o 249.2277 7.489009 1838.588       109.3398 1865.381       158.5785 1814.307       150.9621 249.7655 10.85173 246.4825 10.46698 3.283081       15.07706 
1 1 1 -6  3  43 o 42.97702 18.04574 15.44309       76.90354 64.97225       106.6320 -38.24295      111.0165 55.57508 22.01769 44.77695 20.14952 10.79813       29.84597 
1 1 1 -6  3  44 o 194.6260 8.346546 1128.495       95.04903 1266.782       137.0596 1000.373       131.9265 204.8321 11.45498 181.4622 12.47225 23.36989       16.93439 
1 1 1 -6  3  45 o 40.28370 17.81374 -14.82831      82.89836 86.15203       116.5470 -118.2324      117.9374 59.16538 23.14662 39.78710 18.86165 19.37828       29.85847 
1 1 1 -6  3  46 o 110.8707 14.00402 383.6724       89.03072 402.7307       126.4392 364.9308       125.3844 110.2039 20.31109 104.2385 21.23192 5.965385       29.38256 
1 1 1 -6  3  47 o 48.55277 20.11653 37.29663       93.71041 -112.5055      130.6513 196.0188       134.4849 42.33895 20.00612 75.20570 25.54393 -32.86675      32.44592 
1 1 1 -6  3  48 o 44.12549 19.64770 -14.00526      102.5941 -36.16500      143.9683 8.858827       146.2384 49.71355 22.60083 53.69359 23.70555 -3.980038      32.75287 
1 1 1 -6  3  49 o 57.48057 24.81016 46.72564       152.5400 46.72564       152.5400 0.000000       0.000000 57.48057 24.81016 ?        ?        0.000000       24.81016 
1 1 1 -6  3  50 o 61.67167 23.76825 116.4595       121.4807 127.4529       179.8012 107.2262       164.7793 67.09924 27.83845 64.02869 26.61466 3.070541       38.51389 
1 1 1 -6  3  51 o 56.28817 23.38598 70.82782       127.1382 272.5990       181.3213 -124.3137      178.3175 82.58488 29.55249 48.64687 23.09975 33.93801       37.50931 
1 1 1 -6  4  1  f 299.2454 9.090031 2631.153       159.3454 2673.393       224.4364 2588.219       226.2717 301.3527 12.72760 296.4751 13.04536 4.877594       18.22562 
1 1 1 -6  4  2  o 291.2320 9.601200 2492.897       163.7650 2836.289       227.2848 2122.140       236.1678 310.4276 12.50979 268.1876 15.07591 42.24002       19.59025 
1 1 1 -6  4  3  o 747.9359 12.50105 16439.61       548.3542 16035.49       760.8743 16876.34       790.9817 737.9042 17.58176 756.9601 17.81734 -19.05585      25.03150 
1 1 1 -6  4  4  o 96.78603 9.635371 277.7791       53.96724 272.0216       59.28120 305.6436       130.4133 95.63365 10.75579 99.75159 22.79211 -4.117943      25.20253 
1 1 1 -6  4  5  o 410.9219 7.837930 4956.357       188.8909 5256.670       277.2380 4696.163       258.0565 422.8271 11.18978 399.6492 11.02047 23.17786       15.70547 
1 1 1 -6  4  6  o 132.5707 6.417560 516.9435       49.74804 526.4839       69.73569 507.0568       70.98977 133.6010 8.951759 131.0708 9.295362 2.530197       12.90495 
1 1 1 -6  4  7  o 538.1308 9.468470 8506.917       298.8259 8660.531       428.2924 8361.201       417.1356 542.4734 13.46206 532.8658 13.35831 9.607605       18.96500 
1 1 1 -6  4  8  o 264.0189 6.229929 2045.775       96.46472 1992.178       136.0121 2100.021       136.8351 260.2697 8.923728 267.2447 8.742237 -6.975037      12.49238 
1 1 1 -6  4  9  f 393.5497 7.544589 4547.673       174.1348 4536.452       247.1630 4558.732       245.3745 392.6539 10.74314 393.6306 10.63870 -0.9767151     15.11942 
1 1 1 -6  4  10 o 195.8333 5.886279 1126.463       67.52813 1071.705       95.42890 1181.382       95.56966 190.8291 8.548476 200.4058 8.148278 -9.576675      11.80978 
1 1 1 -6  4  11 o 605.7620 10.40036 10783.27       369.4885 10858.43       526.0759 10710.09       519.0659 607.2120 14.77262 603.0671 14.67595 4.144897       20.82340 
1 1 1 -6  4  12 o 406.1407 7.685229 4841.708       183.0559 4763.479       257.0771 4922.172       260.7218 402.5003 10.90050 409.1573 10.87481 -6.657013      15.39748 
1 1 1 -6  4  13 o 735.0428 12.28415 15875.81       529.5515 15686.80       742.5834 16071.40       755.3784 729.9115 17.34701 738.7900 17.43384 -8.878540      24.59385 
1 1 1 -6  4  14 o 950.6062 17.96098 26596.14       1001.339 26867.09       1236.305 26079.43       1707.294 954.5400 22.08417 937.3987 31.09818 17.14130       38.14194 
1 1 1 -6  4  15 o 496.3948 8.881459 7231.438       258.5605 7144.720       363.3977 7320.349       367.9645 493.0505 12.57752 499.0773 12.58155 -6.026733      17.79015 
1 1 1 -6  4  16 o 883.5568 13.30835 22932.48       689.6191 21710.10       1440.493 23295.94       785.4811 856.4774 28.71834 890.3145 15.04325 -33.83710      32.41979 
1 1 1 -6  4  17 o 262.1396 5.994342 2015.790       92.15621 1861.716       206.6034 2054.059       102.9671 251.3229 14.07320 264.5219 6.642480 -13.19891      15.56206 
1 1 1 -6  4  18 o 316.1493 6.483457 2932.254       120.2124 2502.672       252.9815 3057.543       136.6225 291.4189 14.85097 322.8153 7.216351 -31.39639      16.51143 
1 1 1 -6  4  19 o 259.4212 6.669738 1975.781       101.3922 1701.259       226.5818 2044.516       113.3772 239.9654 16.19485 263.8665 7.333516 -23.90102      17.77789 
1 1 1 -6  4  20 o 745.1880 11.51330 16310.44       503.1717 15648.18       1062.785 16501.77       571.2521 727.2813 24.95377 749.3772 12.99801 -22.09589      28.13607 
1 1 1 -6  4  21 o 131.1072 8.449711 506.6284       64.62495 735.7415       155.1412 458.5264       71.08594 157.1699 17.10659 124.5811 9.808343 32.58880       19.71900 
1 1 1 -6  4  22 o 523.0006 8.571957 8030.065       262.9255 7415.369       546.0610 8215.585       299.9895 501.1878 18.60994 528.9255 9.670767 -27.73773      20.97269 
1 1 1 -6  4  23 o 293.1840 6.366103 2522.463       109.4623 2489.020       241.0254 2531.154       122.8637 290.4618 14.19188 293.6606 7.133910 -3.198730      15.88402 
1 1 1 -6  4  24 o 523.3560 9.787086 8048.400       300.4009 7411.737       543.1411 8328.985       360.5701 500.5648 18.53329 532.1852 11.55251 -31.62048      21.83903 
1 1 1 -6  4  25 o 308.2211 6.276247 2788.529       113.4522 3028.142       263.0443 2733.769       125.7497 320.2543 14.03912 305.1415 7.026762 15.11282       15.69944 
1 1 1 -6  4  26 o 114.5046 8.057246 387.1063       53.76240 402.2232       74.08530 370.2896       78.13962 116.3992 10.98237 111.4788 12.14796 4.920410       16.37637 
1 1 1 -6  4  27 o 225.3637 5.694733 1491.933       75.20724 1489.701       105.2515 1494.262       107.5024 225.0043 7.988710 225.3334 8.148127 -0.3290100     11.41102 
1 1 1 -6  4  28 o 64.94135 17.36051 129.4460       67.39251 191.1565       131.2205 107.3374       78.54234 80.04603 25.11374 60.74130 19.47514 19.30473       31.78020 
1 1 1 -6  4  29 o 596.9489 8.693372 10483.72       304.3518 10204.74       414.1171 10811.39       448.8101 588.0820 12.00701 605.1041 12.64684 -17.02216      17.43877 
1 1 1 -6  4  30 o 229.7656 5.813546 1551.574       78.27583 1442.513       103.7697 1695.557       119.2313 221.3092 8.008243 239.8977 8.487868 -18.58849      11.66944 
1 1 1 -6  4  31 f 482.4240 7.454655 6843.967       210.9148 6857.201       296.5309 6830.417       300.0575 482.2237 10.48506 481.2433 10.63137 0.9803772      14.93193 
1 1 1 -6  4  32 o 137.7473 8.166967 560.2502       65.68115 540.6287       88.99460 583.7242       97.33971 134.8662 11.35691 140.0754 11.96330 -5.209152      16.49545 
1 1 1 -6  4  33 o 359.7638 6.573668 3803.730       138.6998 3633.876       186.7577 4012.644       207.1212 351.1749 9.075458 368.9342 9.580605 -17.75925      13.19666 
1 1 1 -6  4  34 o 283.0717 6.635424 2355.064       110.1579 2352.287       151.3698 2358.191       160.6143 282.4691 9.149369 282.7301 9.700754 -0.2610168     13.33475 
1 1 1 -6  4  35 o 241.2396 6.965722 1712.586       98.44879 1744.339       136.5573 1678.222       142.0610 243.0850 9.597552 238.3254 10.18725 4.759583       13.99618 
1 1 1 -6  4  36 o 101.4344 15.62014 313.1105       89.94477 363.0289       108.0940 200.7527       162.1709 108.9297 17.51374 82.93274 28.05134 25.99693       33.06976 
1 1 1 -6  4  37 o 367.1292 6.999921 3966.534       150.7171 3881.040       208.3904 4060.304       218.2433 362.3974 9.813908 370.6092 10.05021 -8.211731      14.04705 
1 1 1 -6  4  38 o 159.0839 9.535605 750.2488       88.55785 711.3217       119.3924 797.8601       132.0400 154.0802 13.34373 163.0953 13.93773 -9.015076      19.29547 
1 1 1 -6  4  39 o 257.5276 7.483681 1956.140       112.9090 1886.520       156.5004 2031.715       163.0563 252.1591 10.60623 261.6874 10.64663 -9.528259      15.02807 
1 1 1 -6  4  40 o 135.6401 13.62981 555.0475       106.9567 834.3158       188.9458 423.3637       129.7456 164.2461 20.02888 116.4269 19.70369 47.81924       28.09611 
1 1 1 -6  4  41 o 89.95393 17.14353 253.3316       87.14133 332.2870       133.2500 194.3313       115.1869 101.3629 22.95053 78.03215 23.35493 23.33079       32.74416 
1 1 1 -6  4  42 o 148.4082 10.24704 659.3632       88.64055 675.1768       125.8644 643.8022       124.8550 148.6404 14.62760 145.0092 14.89257 3.631195       20.87476 
1 1 1 -6  4  43 o 41.26371 17.76743 1.123781       77.86325 -22.48915      110.7719 24.18503       109.4702 46.17388 20.49611 50.86225 21.45341 -4.688370      29.67051 
1 1 1 -6  4  44 o 133.0217 11.53409 536.6775       89.09373 537.9939       128.7695 535.4686       123.3973 130.6155 17.22979 130.6929 16.46369 -0.7734680E-01 23.83105 
1 1 1 -6  4  45 o 45.77586 18.83533 30.80620       81.39273 42.79328       114.3687 18.50464       115.8592 53.31266 22.16770 50.82248 21.77475 2.490189       31.07325 
1 1 1 -6  4  46 o 70.26115 20.14404 164.9153       87.29520 163.9490       122.4936 165.9124       124.4375 70.44517 24.36446 70.81992 24.55382 -0.3747482     34.59071 
1 1 1 -6  4  47 o 35.50390 16.80974 -91.60969      93.10329 -143.5141      133.1387 -41.93711      130.2448 40.96533 19.59292 47.22219 21.47933 -6.256859      29.07308 
1 1 1 -6  4  48 o 74.79913 21.97819 194.6246       102.7661 127.2582       144.2427 264.0674       146.4488 65.58334 25.72289 84.59187 26.52971 -19.00853      36.95257 
1 1 1 -6  4  49 o 131.1445 15.40193 549.7755       116.2059 598.8567       169.6523 506.3943       159.4974 130.8465 22.94401 119.5582 23.58512 11.28823       32.90419 
1 1 1 -6  4  50 o 74.46400 26.71285 203.3268       148.2486 97.37278       173.7744 486.6180       284.1474 63.77594 26.97151 101.0592 36.88129 -37.28326      45.69127 
1 1 1 -6  4  51 o 106.6899 21.39405 398.6446       129.2016 323.6769       183.7140 472.0093       181.7393 88.96686 29.85577 109.8473 28.10010 -20.88045      40.99979 
1 1 1 -6  5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  5  2  o 1165.226 21.82991 40093.80       1491.807 40586.11       2606.605 39854.00       1819.205 1163.408 38.25460 1159.712 26.74736 3.695679       46.67800 
1 1 1 -6  5  3  o 421.8810 16.58808 5249.146       409.6276 0.000000       0.000000 5249.146       409.6276 ?        ?        421.8810 16.58808 0.000000       16.58808 
1 1 1 -6  5  4  f 244.7435 6.413554 1758.860       91.97845 1704.592       128.6904 1815.531       131.5097 240.7658 9.130372 248.4947 9.038877 -7.728867      12.84776 
1 1 1 -6  5  5  o 332.2510 6.971217 3239.852       135.8393 3281.028       194.0400 3200.278       190.2283 334.0632 9.915008 329.9294 9.842138 4.133759       13.97051 
1 1 1 -6  5  6  o 359.2002 7.225656 3787.379       152.2174 3756.357       214.4224 3818.895       216.1236 357.3959 10.24043 360.3615 10.23655 -2.965546      14.47941 
1 1 1 -6  5  7  o 306.4541 6.703995 2756.585       120.4896 2824.845       173.8234 2693.452       167.1676 309.9226 9.574712 302.6355 9.430007 7.287140       13.43876 
1 1 1 -6  5  8  o 257.4284 6.308815 1945.030       95.24777 1907.331       135.2864 1982.083       134.1225 254.6380 9.073507 259.6078 8.821953 -4.969894      12.65525 
1 1 1 -6  5  9  o 392.7572 7.568564 4529.255       174.3364 4405.167       243.9628 4658.748       249.2191 386.9377 10.76103 397.9359 10.68836 -10.99823      15.16710 
1 1 1 -6  5  10 o 539.4044 9.488021 8548.079       300.1516 8609.988       427.6044 8487.947       421.4202 540.8355 13.48113 537.0039 13.38096 3.831604       18.99450 
1 1 1 -6  5  11 o 435.9631 8.096171 5580.110       207.0046 5459.511       289.8660 5705.629       295.7190 430.8123 11.48275 440.4255 11.45843 -9.613159      16.22188 
1 1 1 -6  5  12 o 364.5056 7.216766 3899.167       154.2756 4082.072       225.6658 3738.671       211.3905 372.6598 10.33528 356.6464 10.11664 16.01334       14.46252 
1 1 1 -6  5  13 o 67.39000 16.61865 138.9375       65.26265 206.1820       107.4444 99.62304       82.15448 82.17968 21.89861 59.88032 19.96294 22.29936       29.63222 
1 1 1 -6  5  14 o 300.7018 9.554072 2656.779       168.2766 2691.382       246.4020 2626.535       230.3646 302.3200 13.93466 298.7144 13.18196 3.605591       19.18173 
1 1 1 -6  5  15 o 703.9185 10.84197 14547.04       447.5905 14544.75       979.8958 14547.64       503.1465 701.8898 23.83917 703.8242 12.18933 -1.934326      26.77472 
1 1 1 -6  5  16 o 527.2874 8.501727 8158.846       262.9088 7915.299       569.5190 8224.803       296.3785 518.2985 18.76702 529.3647 9.546434 -11.06622      21.05553 
1 1 1 -6  5  17 o 528.3011 8.504490 8190.490       263.4998 8055.550       582.2488 8225.245       295.4908 522.8039 19.02146 529.3706 9.517735 -6.566711      21.26977 
1 1 1 -6  5  18 o 226.0730 6.455107 1500.617       85.49838 1278.851       194.5592 1553.692       95.18129 207.9232 16.07992 230.0113 7.064267 -22.08801      17.56325 
1 1 1 -6  5  19 o 182.2022 7.503977 975.7707       80.01385 959.9499       191.5004 979.1168       88.06987 179.6431 18.43783 182.4702 8.251064 -2.827087      20.19984 
1 1 1 -6  5  20 o 330.1648 6.836340 3198.453       132.3747 2919.103       285.7519 3274.782       149.3688 314.6493 15.53304 334.0570 7.624102 -19.40775      17.30325 
1 1 1 -6  5  21 o 518.8879 8.518028 7903.280       259.2168 7896.329       572.3637 7905.074       290.7428 517.2942 18.89794 518.8790 9.554156 -1.584839      21.17579 
1 1 1 -6  5  22 o 195.4203 6.678113 1121.963       76.42498 1153.127       178.0370 1114.923       84.61777 197.3181 15.50942 194.7623 7.421671 2.555847       17.19370 
1 1 1 -6  5  23 o 506.3981 8.222719 7529.505       244.2070 7753.399       560.2252 7476.981       271.3438 512.1623 18.68241 504.5493 9.169924 7.613007       20.81153 
1 1 1 -6  5  24 o 482.2906 8.103014 6830.839       229.1954 6807.240       499.9157 6837.120       257.8965 479.7939 17.79692 482.4186 9.115296 -2.624756      19.99547 
1 1 1 -6  5  25 o 185.3840 9.471934 1012.752       102.6407 1013.655       160.9277 1012.133       133.2655 184.7888 14.97753 185.0093 12.35290 -0.2205200     19.41444 
1 1 1 -6  5  26 o 134.4402 8.963119 533.6464       70.26695 335.1453       127.5348 620.1680       84.19947 104.3064 21.56105 144.8672 9.971166 -40.56079      23.75506 
1 1 1 -6  5  27 o 414.0456 6.689870 5035.063       162.4487 4715.975       215.5280 5454.777       247.1867 400.4317 9.177505 430.5685 9.788865 -30.13681      13.41821 
1 1 1 -6  5  28 o 419.7259 7.533430 5177.623       185.4424 5293.190       294.6212 5101.797       238.6461 423.5142 11.87338 416.3211 9.774070 7.193085       15.37887 
1 1 1 -6  5  29 o 574.3816 8.444799 9704.974       284.4726 9615.652       395.4551 9800.763       409.5235 570.8714 11.81159 576.2470 12.11768 -5.375610      16.92194 
1 1 1 -6  5  30 o 438.9622 6.950281 5663.648       178.9287 5597.879       247.2894 5735.916       259.2187 435.9267 9.672563 441.1958 10.01808 -5.269135      13.92553 
1 1 1 -6  5  31 o 271.8234 5.910239 2170.551       94.21986 2148.185       130.1344 2195.192       136.5942 270.0698 8.225684 272.9648 8.542995 -2.894958      11.85937 
1 1 1 -6  5  32 o 171.1631 6.980460 862.6652       69.92500 833.7129       96.23125 895.0523       101.7796 167.9183 9.814425 173.9768 10.01750 -6.058441      14.02402 
1 1 1 -6  5  33 o 367.0998 6.764216 3960.940       145.6304 3726.541       193.4962 4267.188       221.1725 355.5876 9.286395 380.3916 9.922490 -24.80402      13.59018 
1 1 1 -6  5  34 o 81.56849 16.11452 204.4360       74.35339 68.31139       103.4867 349.6871       106.8995 57.27619 21.97269 106.9955 17.65061 -49.71935      28.18409 
1 1 1 -6  5  35 o 49.53511 18.24514 58.59602       69.79004 117.2688       98.66215 -0.1621703     98.73393 64.51013 21.87931 47.12758 20.14427 17.38255       29.74048 
1 1 1 -6  5  36 o 259.3705 6.968301 1980.245       105.9021 1833.349       142.4415 2161.797       158.3556 249.0942 9.769344 270.4719 10.00021 -21.37769      13.98014 
1 1 1 -6  5  37 o 63.80606 19.18305 124.0986       77.58051 240.0027       109.2422 6.164318       110.1948 87.29935 21.48473 50.22361 21.36860 37.07573       30.30200 
1 1 1 -6  5  38 o 163.9113 10.91092 799.0197       104.2897 685.4310       122.8580 1091.932       197.2898 151.0427 14.02963 189.6751 17.94904 -38.63246      22.78154 
1 1 1 -6  5  39 o 109.4004 19.40243 372.6282       119.9295 0.000000       0.000000 372.6282       119.9295 ?        ?        109.4004 19.40243 0.000000       19.40243 
1 1 1 -6  5  40 o 126.7388 12.80196 483.7741       93.85303 500.7940       133.4642 467.1246       132.0043 127.2526 18.41829 122.6345 18.96516 4.618103       26.43692 
1 1 1 -6  5  41 o 56.92270 20.23010 89.20836       84.82578 117.7571       125.4033 65.12788       115.1722 66.31451 24.45160 57.66670 22.87089 8.647812       33.48071 
1 1 1 -6  5  42 o 173.8738 9.539626 902.0022       96.90556 783.8536       133.7274 1032.649       140.6228 160.2875 14.37817 184.7283 13.06419 -24.44075      19.42691 
1 1 1 -6  5  43 o 135.5424 11.14733 554.6290       87.83032 360.9853       122.1648 761.8113       126.3632 105.4450 20.49314 157.8737 13.78588 -52.42874      24.69856 
1 1 1 -6  5  44 o 139.8248 11.30575 591.9984       91.92157 697.6468       135.6490 502.2910       124.9968 149.7861 15.67344 126.0414 17.37112 23.74471       23.39685 
1 1 1 -6  5  45 o 30.71569 14.82055 -114.4241      80.10413 -210.8700      112.1505 -13.97677      114.4533 33.37278 16.41084 47.21335 20.90211 -13.84057      26.57468 
1 1 1 -6  5  46 o 104.1472 15.18249 342.9036       90.00756 339.9843       127.1065 345.8398       127.4741 99.82445 22.27672 100.7651 22.17334 -0.9406891     31.43102 
1 1 1 -6  5  47 o 123.6675 13.68789 477.1482       97.61566 509.3508       137.1027 444.0405       139.0160 124.2488 19.45271 114.4954 21.49177 9.753395       28.98800 
1 1 1 -6  5  48 o 102.1628 18.18036 344.7224       104.9366 263.4323       153.1949 416.5810       144.0338 84.14289 27.21911 108.9015 23.25878 -24.75862      35.80294 
1 1 1 -6  5  49 o 47.08849 20.59512 7.618620       108.0351 89.18871       154.9756 -69.49658      150.6842 61.77341 25.75471 48.09657 22.31918 13.67683       34.08006 
1 1 1 -6  5  50 f 39.87821 18.80454 -90.06303      114.3401 30.85421       174.9125 -180.2893      151.0926 58.22268 25.80462 41.67901 20.16979 16.54367       32.75209 
1 1 1 -6  5  51 o 78.32523 27.50310 235.4217       156.4068 308.1701       184.0558 46.36747       296.7092 86.85975 29.87341 68.97585 31.76322 17.88390       43.60416 
1 1 1 -6  6  1  o 714.2755 16.93649 15030.82       709.4793 14569.03       979.0186 15541.57       1029.602 701.2210 23.84062 724.1360 24.27802 -22.91498      34.02642 
1 1 1 -6  6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  6  3  o 272.7119 9.264787 2186.629       147.9650 2319.205       195.8700 2010.411       225.8194 280.6297 11.92821 260.9241 14.81785 19.70560       19.02238 
1 1 1 -6  6  4  o 883.8113 14.56015 22995.58       754.7026 22971.14       1066.374 23020.10       1068.250 881.6053 20.62456 882.5394 20.63898 -0.9340820     29.17773 
1 1 1 -6  6  5  o 349.0521 8.459676 3577.929       173.1787 3368.432       302.7106 3679.855       211.1449 337.7786 15.32065 353.7276 10.18859 -15.94907      18.39917 
1 1 1 -6  6  6  o 109.2423 6.988660 351.7440       44.54012 391.1259       62.22207 310.3582       63.78552 115.0100 9.304202 102.1836 10.80722 12.82633       14.26058 
1 1 1 -6  6  7  o 240.2736 6.338142 1695.619       89.23579 1708.396       127.6905 1683.422       124.7576 240.9782 9.051129 239.2201 8.907953 1.758072       12.69939 
1 1 1 -6  6  8  o 217.9544 6.195293 1395.333       79.11105 1390.200       112.6337 1400.332       111.1410 217.3634 8.854042 218.1678 8.703736 -0.8044434     12.41568 
1 1 1 -6  6  9  o 321.8058 6.828685 3039.814       128.8788 3017.653       183.1660 3061.543       181.3715 320.3142 9.761699 322.6534 9.595442 -2.339264      13.68807 
1 1 1 -6  6  10 o 359.5115 7.206754 3793.847       151.9508 3746.750       215.6547 3840.283       214.1352 356.9385 10.31266 361.3897 10.11321 -4.451172      14.44396 
1 1 1 -6  6  11 o 375.1699 7.380399 4131.064       162.3896 4080.738       230.0317 4181.062       229.2774 372.5578 10.53853 377.1280 10.37612 -4.570251      14.78934 
1 1 1 -6  6  12 o 216.2598 7.274181 1373.961       92.12804 1380.815       112.7762 1360.211       159.7326 216.7006 8.892634 214.7620 12.73917 1.938568       15.53594 
1 1 1 -6  6  13 o 507.8864 9.175995 7571.396       273.3193 7529.601       548.2226 7585.220       315.2988 505.3925 18.52735 508.2687 10.57739 -2.876190      21.33410 
1 1 1 -6  6  14 o 489.6701 12.61179 7047.369       361.8838 7395.660       533.2917 6750.106       492.6795 501.0210 18.17938 478.7003 17.57877 22.32071       25.28839 
1 1 1 -6  6  15 o 578.7675 10.35392 9833.110       351.4467 9586.274       675.1412 9924.858       411.6123 570.2509 20.21929 581.3502 12.07258 -11.09937      23.54925 
1 1 1 -6  6  16 o 269.9466 7.001213 2139.356       110.7478 2052.833       223.1401 2167.636       127.5686 263.9124 14.47214 271.6773 8.015216 -7.764923      16.54347 
1 1 1 -6  6  17 o 848.6693 12.89131 21157.40       641.6322 20129.79       1346.009 21459.57       729.8987 824.6833 27.86985 854.5004 14.56464 -29.81708      31.44610 
1 1 1 -6  6  18 o 176.3795 9.230088 915.6188       95.14600 818.0428       199.1707 944.4706       108.3030 165.3075 21.01847 179.0610 10.35729 -13.75354      23.43181 
1 1 1 -6  6  19 o 370.8445 8.971130 4036.679       195.1145 4462.883       375.5905 3879.148       228.3434 389.1373 16.49481 363.3032 10.72864 25.83414       19.67695 
1 1 1 -6  6  20 o 625.5416 9.843760 11489.07       361.1335 11500.86       799.6386 11486.05       404.7629 623.9251 21.88688 625.3574 11.03626 -1.432251      24.51193 
1 1 1 -6  6  21 f 66.89773 14.84387 136.8286       56.71568 211.4253       147.4702 123.8798       61.44130 84.90654 26.62115 63.67523 16.36471 21.23131       31.24883 
1 1 1 -6  6  22 o 371.8641 6.940365 4058.312       151.3621 3715.805       323.5177 4154.296       171.2627 354.9011 15.58116 376.1972 7.762411 -21.29608      17.40769 
1 1 1 -6  6  23 o 55.85250 18.68004 86.63238       71.92529 147.9800       130.4334 59.82691       86.21870 73.60266 25.15323 53.20418 20.14062 20.39848       32.22312 
1 1 1 -6  6  24 o 483.3495 8.088154 6861.251       229.2774 6536.852       489.0479 6952.640       259.5716 470.0919 17.77054 486.4598 9.098288 -16.36783      19.96424 
1 1 1 -6  6  25 o 190.9989 7.377027 1072.926       82.47940 1132.348       165.3106 1053.231       95.17159 195.4169 14.52801 189.1335 8.602542 6.283325       16.88392 
1 1 1 -6  6  26 o 328.2929 7.171429 3165.585       138.0758 0.000000       0.000000 3165.585       138.0758 ?        ?        328.2929 7.171429 0.000000       7.171429 
1 1 1 -6  6  27 o 264.9184 5.809834 2060.535       90.26646 2059.333       122.9036 2061.943       133.0062 264.5827 7.929447 264.6786 8.579791 -0.9594727E-01 11.68285 
1 1 1 -6  6  28 o 148.7595 6.893876 651.5650       59.98134 575.0338       80.71725 745.9404       89.63470 139.4046 9.937940 158.9000 9.664071 -19.49542      13.86207 
1 1 1 -6  6  29 o 701.8558 10.23908 14514.08       421.4629 14596.14       599.3820 14433.83       592.7504 702.1324 14.55573 698.2547 14.47463 3.877686       20.52765 
1 1 1 -6  6  30 o 394.6002 6.594724 4575.774       152.6175 4426.002       207.5738 4752.007       225.1654 387.7090 9.128851 401.6549 9.558683 -13.94583      13.21758 
1 1 1 -6  6  31 o 83.60269 11.96229 210.5456       56.98262 210.0553       77.48923 211.1230       84.08549 82.63594 16.56633 82.63685 17.87086 -0.9078979E-03 24.36824 
1 1 1 -6  6  32 o 33.75472 14.93190 -18.51213      58.29618 -46.16297      81.51545 10.43443       83.40348 37.64125 17.07057 44.82986 18.80633 -7.188618      25.39848 
1 1 1 -6  6  33 o 53.25549 18.32333 77.31747       69.24724 31.36139       98.51224 122.2036       97.35871 51.10598 20.83962 65.34711 21.73043 -14.24113      30.10816 
1 1 1 -6  6  34 o 64.56764 18.06027 127.9111       71.05347 166.9826       100.1656 88.33756       100.8071 73.86279 21.69705 59.94226 21.95294 13.92052       30.86574 
1 1 1 -6  6  35 o 384.6438 6.940775 4350.698       156.5731 4358.619       216.5800 4342.025       226.6165 384.5004 9.604419 383.5328 10.08360 0.9675598      13.92565 
1 1 1 -6  6  36 o 199.1016 7.743910 1168.758       90.25195 1086.308       122.6335 1266.182       133.3042 191.4097 10.97027 206.6836 11.03736 -15.27388      15.56182 
1 1 1 -6  6  37 o 216.7198 7.670721 1385.147       97.34190 1456.195       139.8283 1318.338       135.5938 221.6065 10.79120 210.7828 11.00681 10.82372       15.41428 
1 1 1 -6  6  38 o 305.0443 8.494811 2747.322       151.8253 2475.828       279.5276 2860.932       180.8227 286.7700 16.69252 310.9075 9.929523 -24.13757      19.42256 
1 1 1 -6  6  39 f 183.8120 8.881977 1000.297       95.46556 891.3293       136.9454 1103.311       133.1519 172.3443 13.66044 192.3673 11.85993 -20.02306      18.09048 
1 1 1 -6  6  40 o 194.7115 8.997092 1123.860       102.4634 992.2818       145.5194 1253.239       144.2985 181.6011 13.76572 204.7759 12.06876 -23.17473      18.30710 
1 1 1 -6  6  41 o 155.7645 10.59317 725.3482       96.19514 642.1584       135.7762 809.1890       136.3063 144.6178 16.29167 163.2891 14.38015 -18.67128      21.73033 
1 1 1 -6  6  42 o 133.5752 11.46042 538.1832       88.91256 485.8762       125.3616 591.1289       126.1246 124.5189 17.66131 138.3645 15.82706 -13.84562      23.71535 
1 1 1 -6  6  43 o 142.3566 10.67526 610.2936       88.47733 726.4284       123.1542 486.4124       127.1953 154.0919 13.77263 123.9790 18.02058 30.11292       22.68098 
1 1 1 -6  6  44 o 56.80011 20.06871 94.35544       83.37348 -13.82332      118.2792 201.1866       117.5401 48.23706 21.30691 77.52739 23.67638 -29.29033      31.85209 
1 1 1 -6  6  45 f 150.1142 10.64371 681.7778       93.09786 638.2832       129.7217 727.9731       133.6884 142.6483 15.76878 152.8224 15.11384 -10.17419      21.84222 
1 1 1 -6  6  46 o 115.4171 14.06069 416.0631       93.21405 402.8328       130.6980 429.7597       132.9808 109.5988 21.09909 113.5202 20.73794 -3.921410      29.58435 
1 1 1 -6  6  47 o 105.6447 16.31014 358.5647       97.80441 245.0109       135.2065 483.2014       141.6510 82.66738 25.42122 119.8781 20.90776 -37.21075      32.91463 
1 1 1 -6  6  48 o 55.78881 22.15256 78.30844       108.1737 174.7386       155.6563 -11.76510      150.4385 71.94010 27.09974 52.49844 23.55368 19.44167       35.90504 
1 1 1 -6  6  49 o 148.2165 13.44677 688.0668       115.6160 590.7482       171.8830 768.4827       156.2448 129.2876 23.53543 153.2672 17.70750 -23.97952      29.45288 
1 1 1 -6  6  50 o 163.3114 12.89178 833.5338       122.4745 825.0295       183.7315 840.3345       164.3026 155.3516 20.67901 159.6237 17.85638 -4.272156      27.32163 
1 1 1 -6  6  51 o 187.4573 12.59780 1095.915       137.6952 1144.589       198.8425 1051.069       190.8635 185.3760 18.53804 177.5177 18.60915 7.858337       26.26707 
1 1 1 -6  7  1  o 398.4144 10.58047 4667.914       247.0052 4415.793       336.3351 4963.104       363.9310 386.9602 14.84780 410.2268 15.15275 -23.26660      21.21469 
1 1 1 -6  7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  7  3  o 192.9312 6.865448 1093.942       77.55843 1092.972       118.6643 1094.665       102.4761 192.5538 10.54822 192.8338 9.086827 -0.2799225     13.92248 
1 1 1 -6  7  4  o 329.8583 7.940048 3194.914       153.6035 3195.256       254.6571 3194.718       192.5805 329.2226 13.21597 329.5703 9.975019 -0.3477173     16.55787 
1 1 1 -6  7  5  o 519.9099 9.278547 7941.437       282.9167 8044.915       403.6423 7841.509       396.6584 522.6192 13.17976 515.9764 13.11864 6.642822       18.59582 
1 1 1 -6  7  6  o 317.0150 6.915851 2950.231       128.5808 2866.844       180.4938 3036.155       183.2182 312.1706 9.871107 321.2794 9.735012 -9.108734      13.86395 
1 1 1 -6  7  7  o 351.0701 7.218359 3618.401       148.6219 3654.306       212.2426 3583.856       208.1824 352.4469 10.27904 349.0409 10.18079 3.406067       14.46745 
1 1 1 -6  7  8  o 123.4838 6.875209 448.9789       49.59393 437.0657       69.54057 461.3094       70.74781 121.5625 9.838113 124.9207 9.733458 -3.358170      13.83939 
1 1 1 -6  7  9  o 539.5529 9.518814 8551.779       301.2086 8675.989       431.0313 8433.233       421.0894 542.9672 13.53582 535.1661 13.42698 7.801086       19.06573 
1 1 1 -6  7  10 o 493.2172 8.884185 7142.946       256.9841 7235.750       367.6097 7054.246       359.3906 495.9108 12.64992 489.6636 12.52492 6.247162       17.80152 
1 1 1 -6  7  11 o 275.4107 5.777728 2225.306       93.32293 2051.358       230.8259 2259.295       102.0339 263.6450 14.99021 277.4942 6.269604 -13.84924      16.24852 
1 1 1 -6  7  12 o 790.1923 11.84705 18341.12       549.0267 17773.38       1195.745 18492.79       618.0237 774.8315 26.35198 793.2791 13.28399 -18.44757      29.51087 
1 1 1 -6  7  13 f 580.6601 9.147310 9895.815       311.5056 9672.697       686.4447 9953.679       349.5720 572.6945 20.47063 582.2898 10.23639 -9.595337      22.88734 
1 1 1 -6  7  14 o 324.8873 10.16520 3101.394       193.4482 3202.294       288.6469 3019.120       260.6451 329.7559 14.96433 320.2614 13.91013 9.494446       20.43093 
1 1 1 -6  7  15 o 389.4815 11.03360 4457.261       251.7775 4824.343       382.1006 4175.572       334.7195 404.7668 16.12845 376.6162 15.18528 28.15054       22.15220 
1 1 1 -6  7  16 o 125.8086 7.845462 466.2287       57.59865 405.3650       158.3814 475.5052       61.83247 115.0914 24.23185 127.0217 8.346438 -11.93029      25.62900 
1 1 1 -6  7  17 o 181.1008 7.161805 963.7859       75.91648 862.4910       201.1617 980.6086       81.97843 169.8828 20.61156 182.6489 7.670078 -12.76610      21.99242 
1 1 1 -6  7  18 o 418.0391 7.675854 5128.007       188.1889 4569.278       405.8792 5281.015       212.3994 393.6488 17.62545 424.1957 8.537611 -30.54694      19.58436 
1 1 1 -6  7  19 o 1111.898 16.52707 36376.83       1077.733 34638.42       2267.783 36883.99       1224.894 1077.651 35.93192 1119.100 18.66289 -41.44922      40.48958 
1 1 1 -6  7  20 o 499.6754 8.307168 7328.310       243.4397 7079.712       534.9135 7393.248       273.3927 489.8496 18.65368 501.8254 9.289315 -11.97580      20.83869 
1 1 1 -6  7  21 o 498.5820 8.322711 7297.185       243.3615 7233.919       537.5254 7313.497       272.9368 495.0322 18.54743 499.0712 9.325006 -4.039001      20.75965 
1 1 1 -6  7  22 o 167.5438 7.130374 825.3919       69.90320 759.5420       175.0386 837.8870       76.24739 159.2965 19.11750 168.7701 7.723814 -9.473587      20.61883 
1 1 1 -6  7  23 o 398.7381 7.196679 4667.342       168.2947 4436.211       365.1532 4729.680       189.6367 387.5661 16.09999 401.3366 8.056808 -13.77057      18.00338 
1 1 1 -6  7  24 o 181.6724 7.707368 970.9695       81.93279 1059.164       166.6637 942.8621       94.08715 188.9234 15.16935 178.9123 8.995704 10.01112       17.63610 
1 1 1 -6  7  25 o 639.1170 10.10462 12012.98       378.7485 11351.91       789.0833 12210.87       431.7322 617.6218 21.81888 644.0972 11.42911 -26.47534      24.63104 
1 1 1 -6  7  26 o 457.9601 7.779354 6162.406       208.9400 6028.747       457.9316 6197.547       234.8058 450.8441 17.35143 459.1456 8.719828 -8.301514      19.41925 
1 1 1 -6  7  27 o 149.6806 7.231395 659.8028       63.29235 719.3633       156.2454 648.1108       69.22646 154.7794 17.52020 148.2746 7.990279 6.504730       19.25622 
1 1 1 -6  7  28 o 174.5984 6.170083 896.4671       63.08102 879.3558       82.72835 920.2350       97.50089 172.7342 8.189627 176.5684 9.449960 -3.834229      12.50487 
1 1 1 -6  7  29 o 377.1799 9.294312 4188.695       205.5968 0.000000       0.000000 4188.695       205.5968 ?        ?        377.1799 9.294312 0.000000       9.294312 
1 1 1 -6  7  30 o 183.2672 6.326696 988.0344       67.89854 949.1720       91.86472 1034.827       100.8025 179.3578 8.759788 187.2355 9.208035 -7.877686      12.70912 
1 1 1 -6  7  31 o 250.7695 6.045875 1847.515       88.91691 1764.774       120.3767 1946.868       131.9080 244.7333 8.399294 257.0103 8.764071 -12.27692      12.13907 
1 1 1 -6  7  32 o 269.4471 6.306112 2133.296       99.65192 2114.313       134.4424 2156.442       148.4554 267.8800 8.568496 270.4124 9.375111 -2.532379      12.70086 
1 1 1 -6  7  33 o 553.0899 8.358092 9002.304       271.1149 8789.701       368.0712 9254.461       400.8515 545.6565 11.50170 559.6580 12.21266 -14.00153      16.77612 
1 1 1 -6  7  34 f 286.7513 6.706645 2417.017       112.7876 2398.556       155.9982 2437.237       163.2610 285.1808 9.339746 287.4092 9.699599 -2.228485      13.46525 
1 1 1 -6  7  35 o 372.5728 6.861793 4081.973       149.9337 3981.106       203.7770 4201.034       221.3933 367.3531 9.466358 377.2356 10.01580 -9.882507      13.78144 
1 1 1 -6  7  36 o 77.56224 18.64839 187.5894       83.78025 118.2310       135.0065 231.0273       106.8414 68.74443 25.36652 85.79931 21.32523 -17.05488      33.13949 
1 1 1 -6  7  37 o 539.2089 8.460301 8573.303       267.5429 8601.456       379.0391 8545.350       377.6900 538.5854 11.99994 536.8278 11.99637 1.757629       16.96795 
1 1 1 -6  7  38 o 207.6412 8.050591 1273.197       97.85165 1233.298       135.4655 1316.729       141.4977 203.6429 11.38787 210.4070 11.51055 -6.764084      16.19186 
1 1 1 -6  7  39 o 121.7162 12.62637 445.5467       88.82384 409.5539       126.4174 480.6410       124.8294 114.6914 19.49104 125.1094 17.49010 -10.41801      26.18787 
1 1 1 -6  7  40 o 213.7759 8.443139 1352.899       105.6473 1422.302       151.5240 1287.242       147.3779 218.1995 11.88557 207.4585 12.16637 10.74107       17.00845 
1 1 1 -6  7  41 o 70.85836 19.90955 160.0662       86.14364 176.0484       127.8113 146.7628       116.6089 75.10470 24.89562 69.72059 23.78394 5.384109       34.43062 
1 1 1 -6  7  42 o 131.7783 11.69206 524.8638       89.42500 577.9255       129.5100 476.5132       123.6271 136.3945 16.52708 123.2229 17.60691 13.17162       24.14845 
1 1 1 -6  7  43 o 81.13397 17.98861 212.1934       83.34890 152.6411       120.8298 266.2537       115.1234 69.89742 24.19727 89.50274 22.07244 -19.60532      32.75211 
1 1 1 -6  7  44 o 55.21091 20.24779 84.26265       85.80089 91.54803       123.1354 77.38704       119.6224 60.89394 23.80092 58.60261 23.28710 2.291336       33.29824 
1 1 1 -6  7  45 o 138.7220 11.80388 587.3226       95.12184 516.8899       132.9307 661.2333       136.1731 126.6031 18.44501 144.7746 16.32211 -18.17140      24.62985 
1 1 1 -6  7  46 o 88.10712 18.18135 254.9761       90.83064 305.6644       126.7163 201.4088       130.2651 93.90662 23.15632 76.30359 25.12690 17.60303       34.16982 
1 1 1 -6  7  47 o 132.4816 15.94752 559.2953       121.4191 455.5067       220.1122 604.6901       145.5701 106.4759 32.37668 135.8240 18.77615 -29.34815      37.42717 
1 1 1 -6  7  48 o 44.69734 19.91849 -13.16416      105.6623 -36.19846      156.0675 6.329197       143.5715 51.42002 23.43663 52.88430 23.41170 -1.464272      33.12678 
1 1 1 -6  7  49 o 93.79950 21.25467 306.2975       114.2095 356.4798       173.8356 268.1859       151.4929 95.37573 28.72425 84.10673 27.05518 11.26900       39.45967 
1 1 1 -6  7  50 o 76.37444 23.91043 213.2381       119.0115 56.12436       177.8144 340.7324       160.1789 60.40828 26.42136 93.53244 27.42730 -33.12416      38.08339 
1 1 1 -6  7  51 o 51.15984 22.31974 24.41167       126.1970 265.5985       195.3672 -148.2776      165.3132 81.06138 30.39765 45.35312 21.72925 35.70826       37.36546 
1 1 1 -6  8  1  o 420.1037 15.52441 5209.324       381.8339 5209.324       381.8339 0.000000       0.000000 420.1037 15.52441 ?        ?        0.000000       15.52441 
1 1 1 -6  8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  8  3  o 371.6727 10.08428 4062.955       219.6113 3997.952       306.8846 4131.185       314.4064 368.1372 14.24081 374.2125 14.35253 -6.075348      20.21870 
1 1 1 -6  8  4  o 104.9924 7.506985 325.3118       45.91968 337.9905       66.41619 313.7007       63.55849 106.6818 10.76229 102.7443 10.70469 3.937531       15.17950 
1 1 1 -6  8  5  o 188.7401 6.931057 1047.140       76.59068 1006.135       114.7289 1080.107       102.8700 184.6922 10.63689 191.5191 9.185311 -6.826935      14.05395 
1 1 1 -6  8  6  o 348.7927 7.263926 3571.598       148.5899 3579.988       210.7127 3563.299       209.5677 348.8444 10.31063 348.0331 10.27849 0.8113403      14.55873 
1 1 1 -6  8  7  o 324.3777 6.982780 3088.659       132.8403 3134.419       190.4030 3045.260       185.4250 326.4474 9.956758 321.7783 9.837200 4.669067       13.99670 
1 1 1 -6  8  8  o 365.7056 7.396522 3925.922       158.6389 3966.014       226.4052 3887.254       222.3484 367.2203 10.52343 363.5613 10.43892 3.658966       14.82274 
1 1 1 -6  8  9  o 307.8850 6.067973 2781.433       109.5677 2542.064       254.4240 2835.934       121.4021 293.5141 14.82818 310.8670 6.658880 -17.35294      16.25471 
1 1 1 -6  8  10 o 906.4354 13.62482 24158.37       724.2994 23384.09       1546.176 24376.04       819.8140 886.8074 29.77113 910.1776 15.35814 -23.37018      33.49915 
1 1 1 -6  8  11 o 154.2550 6.010057 699.1205       54.26708 662.6299       176.9403 702.9094       57.01479 148.4899 20.89507 154.6581 6.299035 -6.168243      21.82388 
1 1 1 -6  8  12 o 675.6578 10.34677 13402.40       409.9985 12304.85       863.8425 13721.53       465.8069 645.5410 22.85314 683.5502 11.61943 -38.00922      25.63742 
1 1 1 -6  8  13 o 109.1023 15.26042 356.6224       94.97799 386.4156       163.7020 341.5044       116.6115 112.2230 25.45928 106.0645 19.46357 6.158501       32.04692 
1 1 1 -6  8  14 o 451.1623 12.11442 5981.754       320.2527 6255.995       474.9762 5753.158       433.6512 460.8491 17.60606 442.0085 16.75895 18.84067       24.30711 
1 1 1 -6  8  15 o 270.9158 7.224712 2154.902       114.6879 1952.362       242.0394 2213.543       130.2367 257.1893 16.12777 274.5370 8.097614 -17.34769      18.04651 
1 1 1 -6  8  16 o 964.0456 14.42889 27313.40       815.7949 25890.05       1719.814 27726.65       926.6859 934.2230 31.43398 971.0198 16.27249 -36.79681      35.39617 
1 1 1 -6  8  17 o 983.9036 14.61112 28455.23       843.1143 28442.52       1868.407 28458.48       944.7731 978.5314 32.60266 983.6593 16.37692 -5.127930      36.48475 
1 1 1 -6  8  18 o 879.7758 13.42813 22745.76       692.8482 21357.44       1436.316 23166.77       790.9562 848.7167 28.89819 887.6129 15.19422 -38.89618      32.64919 
1 1 1 -6  8  19 o 520.4851 8.569997 7951.537       261.6010 7632.498       576.0765 8034.418       293.6215 508.5824 19.34912 523.1291 9.570364 -14.54669      21.58657 
1 1 1 -6  8  20 o 317.7672 6.744803 2962.915       125.6982 2917.125       291.3616 2973.386       139.3313 314.4489 15.85019 318.3052 7.463707 -3.856323      17.51957 
1 1 1 -6  8  21 o 515.5974 8.565617 7804.888       259.0120 7497.426       558.5638 7889.111       292.3429 503.8088 18.93783 518.2902 9.617653 -14.48141      21.24007 
1 1 1 -6  8  22 o 80.09827 17.59187 196.5981       80.37347 161.6982       152.4692 210.0281       94.58205 77.93304 27.16967 82.67934 19.77282 -4.746300      33.60291 
1 1 1 -6  8  23 o 189.3173 6.690039 1053.358       74.16283 965.9191       179.1533 1071.441       81.47131 180.1003 17.16882 190.8976 7.290422 -10.79729      18.65258 
1 1 1 -6  8  24 o 269.8500 6.321713 2137.551       100.0479 2001.569       226.8460 2170.389       111.4754 260.0874 14.93451 271.7933 6.999247 -11.70593      16.49331 
1 1 1 -6  8  25 f 283.1299 6.201216 2353.412       102.9706 2538.541       248.2408 2314.940       113.1654 292.9437 14.49403 280.7688 6.872493 12.17490       16.04082 
1 1 1 -6  8  26 o 51.60662 15.39821 79.64835       50.13021 112.6864       136.8516 74.52814       53.87491 68.93007 25.52051 50.66629 16.11716 18.26377       30.18376 
1 1 1 -6  8  27 o 304.1597 9.851412 2725.973       175.5001 2909.123       271.3585 2594.281       230.1022 313.2868 14.81093 296.1258 13.28315 17.16098       19.89486 
1 1 1 -6  8  28 o 430.9430 7.647074 5459.650       193.2706 5331.994       414.7228 5495.066       218.4410 423.5255 16.72951 432.1902 8.618042 -8.664764      18.81879 
1 1 1 -6  8  29 o 44.40372 15.65924 51.27718       50.74236 79.61948       69.18092 18.27475       74.65205 53.75225 18.31975 43.78892 18.03031 9.963329       25.70419 
1 1 1 -6  8  30 o 515.0215 7.868084 7802.617       237.6539 7488.700       320.5938 8185.543       354.0828 503.8406 10.84954 526.5776 11.46547 -22.73700      15.78511 
1 1 1 -6  8  31 o 83.24126 12.54016 209.2961       59.32101 218.7162       80.48057 198.0901       87.77892 84.30350 16.86714 79.88492 19.01206 4.418579       25.41572 
1 1 1 -6  8  32 o 264.8399 6.466159 2061.164       100.4339 1989.683       136.0161 2146.863       148.9308 259.8036 8.940097 269.8046 9.426542 -10.00101      12.99173 
1 1 1 -6  8  33 f 211.4348 7.546353 1316.414       93.42587 1437.780       134.6856 1203.860       129.7034 220.5687 10.44147 201.6954 11.00662 18.87332       15.17136 
1 1 1 -6  8  34 o 53.83482 18.51436 79.28268       70.69612 -57.90828      99.71244 217.9528       100.2485 41.39761 18.81583 83.62035 20.58255 -42.22274      27.88686 
1 1 1 -6  8  35 o 321.4301 9.924632 3050.962       186.8663 0.000000       0.000000 3050.962       186.8663 ?        ?        321.4301 9.924632 0.000000       9.924632 
1 1 1 -6  8  36 o 130.7741 10.83077 509.0353       82.32323 549.2907       115.5159 467.4906       117.3511 135.0425 14.82917 124.0364 16.54416 11.00610       22.21741 
1 1 1 -6  8  37 o 419.2503 7.393560 5176.804       181.7932 5140.771       251.2072 5216.424       263.4158 416.9451 10.27313 419.7171 10.71000 -2.771942      14.84053 
1 1 1 -6  8  38 o 84.49211 16.72853 221.5102       79.96015 244.9169       112.3239 197.4618       113.8531 87.89158 21.87726 79.30215 23.08689 8.589432       31.80596 
1 1 1 -6  8  39 o 191.1281 8.783649 1081.641       98.19454 1064.751       136.5771 1099.715       141.2783 188.7230 12.40848 191.7427 12.63376 -3.019730      17.70826 
1 1 1 -6  8  40 o 142.6551 11.27128 609.2188       93.53414 617.3519       139.7776 602.6238       125.8677 141.7497 17.16289 140.6061 15.52173 1.143631       23.14063 
1 1 1 -6  8  41 o 44.73347 18.60140 20.14612       80.53590 -8.887172      113.6462 49.43498       114.1453 48.50845 21.17157 55.21736 22.46365 -6.708908      30.86828 
1 1 1 -6  8  42 o 162.9223 9.557043 793.4608       90.91661 799.2275       130.1519 787.9652       127.0551 161.8504 13.84436 160.8074 13.59948 1.042984       19.40650 
1 1 1 -6  8  43 o 186.8019 8.801290 1041.250       96.15131 1030.296       136.8830 1051.919       135.0917 184.0802 12.75814 186.1694 12.44431 -2.089264      17.82220 
1 1 1 -6  8  44 o 113.1387 13.94923 396.5049       90.59985 293.6951       128.4974 498.1394       127.7608 92.85337 23.56167 124.9802 17.94429 -32.12682      29.61672 
1 1 1 -6  8  45 o 171.2531 10.07264 884.8096       100.7188 892.1063       143.2452 877.6751       141.6440 169.4238 14.55733 168.0687 14.51216 1.355087       20.55526 
1 1 1 -6  8  46 o 39.25092 17.86195 -38.89558      90.20217 -12.64018      127.8252 -64.93842      127.3067 49.35769 21.95705 45.00386 20.75356 4.353821       30.21295 
1 1 1 -6  8  47 o 106.3121 16.83472 366.0295       101.4714 354.1891       143.7335 377.7940       143.2722 99.38995 24.75261 103.2232 24.10545 -3.833275      34.55090 
1 1 1 -6  8  48 o 136.8616 13.88937 588.7023       109.9423 628.0570       160.3206 553.7645       151.0563 136.1772 20.72701 127.6067 20.90779 8.570580       29.44052 
1 1 1 -6  8  49 f 68.50823 23.52138 163.2736       114.0906 72.80446       176.2915 228.4715       149.6574 62.09460 26.73571 78.26445 26.93683 -16.16985      37.95249 
1 1 1 -6  8  50 o 56.83582 24.78562 42.72311       155.4818 0.000000       0.000000 42.72311       155.4818 ?        ?        56.83582 24.78562 0.000000       24.78562 
1 1 1 -6  8  51 o 139.5560 16.11189 634.0907       129.4515 761.4062       196.0348 535.6449       172.3816 145.1908 23.84937 119.8811 25.31371 25.30969       34.77897 
1 1 1 -6  9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  9  2  o 499.2467 12.50031 7339.132       365.7168 7420.979       520.5210 7259.340       513.9449 500.9810 17.74405 495.4950 17.71439 5.485992       25.07291 
1 1 1 -6  9  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  9  4  o 299.9394 7.712177 2643.267       135.5503 2816.316       227.4401 2547.941       168.8054 309.1165 12.57191 294.2986 9.793841 14.81796       15.93651 
1 1 1 -6  9  5  o 379.3764 8.682465 4227.276       193.1808 4396.406       328.7519 4138.076       238.7488 386.0604 14.54587 375.0255 10.86646 11.03491       18.15661 
1 1 1 -6  9  6  o 271.5800 9.492701 2169.324       150.9627 0.000000       0.000000 2169.324       150.9627 ?        ?        271.5800 9.492701 0.000000       9.492701 
1 1 1 -6  9  7  o 268.1280 5.970435 2109.559       93.88552 1737.541       228.6205 2185.024       102.9686 242.3014 16.18098 272.8671 6.434325 -30.56570      17.41335 
1 1 1 -6  9  8  o 333.5759 6.439072 3265.153       125.9704 3094.948       297.9153 3302.211       139.0088 323.8444 15.73285 335.4403 7.066046 -11.59592      17.24678 
1 1 1 -6  9  9  o 962.4078 14.40973 27241.14       813.3273 25952.73       1716.297 27614.26       923.6198 933.7125 31.38676 968.5853 16.25941 -34.87280      35.34823 
1 1 1 -6  9  10 o 438.3874 7.407175 5639.398       190.4413 5881.498       455.4822 5588.109       209.6455 446.6737 17.42063 436.3562 8.192076 10.31750       19.25068 
1 1 1 -6  9  11 o 418.4145 7.280284 5136.746       178.6511 4661.639       386.5979 5265.752       201.4508 397.7632 16.60891 423.6063 8.108792 -25.84311      18.48265 
1 1 1 -6  9  12 o 428.3333 8.442430 5383.937       212.0801 5240.373       423.6184 5431.955       244.9935 421.7583 17.16203 430.1887 9.710578 -8.430389      19.71879 
1 1 1 -6  9  13 o 276.4734 10.47226 2247.087       169.4956 2164.639       253.0441 2314.183       228.2714 270.8832 15.99934 280.3102 13.92915 -9.427032      21.21321 
1 1 1 -6  9  14 o 462.4204 8.931890 6275.427       242.2316 5824.233       469.1223 6439.456       282.8562 444.5765 18.02980 468.3630 10.29752 -23.78644      20.76325 
1 1 1 -6  9  15 o 297.8923 10.93905 2608.949       190.7880 2713.632       300.7038 2538.414       246.8322 303.2768 16.97406 293.5518 14.38104 9.725037       22.24709 
1 1 1 -6  9  16 o 605.2746 9.752985 10754.22       346.2107 10307.98       753.2923 10873.72       389.8209 590.9619 21.77191 608.5475 10.92245 -17.58557      24.35808 
1 1 1 -6  9  17 o 509.3281 8.650102 7613.655       258.3862 6995.545       561.5447 7779.674       291.0249 486.9380 19.70416 514.7972 9.639256 -27.85919      21.93557 
1 1 1 -6  9  18 o 510.1680 8.600878 7639.217       257.3395 7197.919       568.4730 7752.958       288.6039 493.8626 19.66629 513.8949 9.575850 -20.03226      21.87372 
1 1 1 -6  9  19 o 387.1748 7.230125 4398.897       164.1737 4447.107       391.5578 4388.614       180.8368 388.2667 17.23849 386.6923 7.973898 1.574402       18.99339 
1 1 1 -6  9  20 o 163.2112 7.509076 783.4471       71.68391 707.8369       194.6164 795.3153       77.10490 153.2206 22.31260 164.4114 8.020697 -11.19080      23.71042 
1 1 1 -6  9  21 o 144.7631 8.030596 617.1133       67.91268 641.9275       172.9010 612.5866       73.84776 145.9675 20.78369 144.1704 8.775516 1.797089       22.56040 
1 1 1 -6  9  22 o 765.9904 11.78176 17254.93       529.2783 17056.18       1146.925 17308.71       596.6033 757.0102 25.87149 766.8893 13.26485 -9.879150      29.07388 
1 1 1 -6  9  23 f 335.1127 6.596472 3296.498       129.6442 3365.731       306.8216 3281.451       143.0408 337.4662 15.54438 334.3083 7.295619 3.157898       17.17130 
1 1 1 -6  9  24 o 278.0256 6.261696 2269.152       102.1004 2049.076       235.1255 2320.293       113.3443 263.0514 15.30696 281.1097 6.875010 -18.05832      16.78001 
1 1 1 -6  9  25 o 329.6077 7.563710 3191.656       146.2119 3044.177       287.4520 3243.130       169.8214 320.6279 15.33111 332.0397 8.728277 -11.41183      17.64159 
1 1 1 -6  9  26 o 400.2637 7.281910 4707.150       170.9393 4234.346       363.3354 4841.552       193.7177 377.7820 16.43829 405.8394 8.138878 -28.05743      18.34281 
1 1 1 -6  9  27 o 487.5782 8.250312 6990.627       235.9202 6892.065       513.6649 7016.977       265.5900 481.2109 18.23393 488.3177 9.273821 -7.106812      20.45678 
1 1 1 -6  9  28 o 370.4070 7.064777 4032.405       153.4717 4074.157       343.3159 4021.978       171.5687 370.3062 15.84483 369.8216 7.910343 0.4845886      17.70966 
1 1 1 -6  9  29 o 222.6676 6.647748 1458.348       86.71527 1213.262       197.4922 1516.885       96.51685 201.3261 16.88159 227.0307 7.258159 -25.70456      18.37577 
1 1 1 -6  9  30 o 251.7748 7.803902 1866.432       115.0933 1983.662       237.3111 1830.377       131.6073 257.9893 15.75952 249.1581 9.021358 8.831192       18.15895 
1 1 1 -6  9  31 o 246.2738 6.402355 1783.458       92.39320 1747.643       127.3523 1823.256       134.2476 243.4660 8.934190 248.6404 9.222261 -5.174408      12.84017 
1 1 1 -6  9  32 o 343.3669 6.680969 3465.160       134.5391 3414.547       185.4084 3521.448       195.5288 340.3639 9.296988 345.5854 9.656745 -5.221497      13.40473 
1 1 1 -6  9  33 o 311.3345 6.757806 2849.125       123.3910 2679.619       164.9844 3064.289       185.8810 301.4613 9.342982 322.2975 9.845481 -20.83627      13.57294 
1 1 1 -6  9  34 o 226.8582 7.149099 1515.014       94.99784 1460.686       129.8513 1577.576       139.3450 222.3371 9.983735 231.0218 10.31059 -8.684723      14.35212 
1 1 1 -6  9  35 o 374.2604 7.046135 4120.426       154.6591 3963.326       210.2855 4305.532       228.2605 366.3889 9.795039 381.7805 10.20366 -15.39154      14.14417 
1 1 1 -6  9  36 o 63.86805 19.63247 123.4579       80.65059 82.34964       114.1102 164.4898       114.0042 60.72217 23.12742 73.77354 23.44269 -13.05137      32.93080 
1 1 1 -6  9  37 o 129.8479 10.83192 502.5422       81.73731 370.5920       110.7332 660.5033       121.1568 109.6998 17.82279 148.2371 14.10590 -38.53725      22.72945 
1 1 1 -6  9  38 o 328.6735 7.034845 3181.833       135.6031 3053.751       181.6427 3343.083       203.8094 321.2219 9.652842 335.8763 10.35890 -14.65442      14.15924 
1 1 1 -6  9  39 o 228.0151 8.810372 1539.072       117.5954 1662.539       186.3190 1457.324       151.6069 235.5119 13.54659 221.0588 11.73599 14.45306       17.92327 
1 1 1 -6  9  40 o 94.79306 16.04144 278.6557       86.00278 380.8290       126.3056 190.3355       117.4313 109.6379 20.39355 77.39767 23.67096 32.24020       31.24438 
1 1 1 -6  9  41 o 53.37312 19.76510 73.02821       82.09422 -89.21540      120.7039 212.6757       111.9835 43.00345 19.96264 80.72501 22.70649 -37.72155      30.23395 
1 1 1 -6  9  42 o 130.2089 11.38752 512.4753       86.08588 450.9269       123.2563 571.0928       120.2857 119.3594 18.18110 135.9172 15.35874 -16.55773      23.80007 
1 1 1 -6  9  43 o 189.3020 9.051417 1070.705       100.1987 1080.605       139.6724 1060.207       143.8236 188.4973 12.70869 186.4187 13.24117 2.078598       18.35318 
1 1 1 -6  9  44 o 54.32275 20.23414 79.58028       86.27074 101.4619       119.5887 55.83610       124.5745 61.61050 23.62416 56.45565 23.27333 5.154854       33.16246 
1 1 1 -6  9  45 o 153.0134 10.94158 711.0307       97.54031 583.0897       136.0041 846.5361       139.9669 134.8525 17.61744 164.8722 14.62693 -30.01974      22.89806 
1 1 1 -6  9  46 o 37.10454 17.36042 -74.31344      94.19855 -151.2344      126.0655 22.92757       141.7420 39.13697 18.80961 54.74712 23.77231 -15.61015      30.31376 
1 1 1 -6  9  47 o 223.8320 9.085716 1508.676       119.0223 1491.152       160.1234 1530.314       177.9266 220.0125 12.46051 221.7421 13.74940 -1.729584      18.55560 
1 1 1 -6  9  48 o 77.84499 22.32731 214.2433       107.2226 -18.16655      159.8028 404.5493       144.6051 53.11580 24.01325 106.4140 23.77087 -53.29822      33.78891 
1 1 1 -6  9  49 o 189.3498 11.55306 1104.296       127.6852 1155.432       191.5469 1063.401       171.2940 187.9656 17.57980 181.6346 16.25180 6.330933       23.94098 
1 1 1 -6  9  50 f 44.60090 20.40873 -39.44244      119.8684 255.1730       193.7210 -222.2266      152.5872 80.29266 30.23525 39.95987 19.54480 40.33279       36.00235 
1 1 1 -6  10 1  f 495.3384 12.41316 7222.632       360.3234 7200.335       507.8975 7245.225       511.2678 493.6231 17.57209 495.1479 17.63425 -1.524780      24.89468 
1 1 1 -6  10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 4  o 421.2423 8.997662 5211.532       222.2860 0.000000       0.000000 5211.532       222.2860 ?        ?        421.2423 8.997662 0.000000       8.997662 
1 1 1 -6  10 5  o 373.5868 7.501350 4096.883       164.3545 0.000000       0.000000 4096.883       164.3545 ?        ?        373.5868 7.501350 0.000000       7.501350 
1 1 1 -6  10 6  o 542.9658 9.713268 8658.701       309.3060 0.000000       0.000000 8658.701       309.3060 ?        ?        542.9658 9.713268 0.000000       9.713268 
1 1 1 -6  10 7  o 460.1566 8.608353 6216.132       232.3145 0.000000       0.000000 6216.132       232.3145 ?        ?        460.1566 8.608353 0.000000       8.608353 
1 1 1 -6  10 8  o 739.1750 11.39828 16050.09       494.1255 14843.74       1021.256 16418.82       564.6143 708.1621 24.62707 747.4360 12.88034 -39.27393      27.79201 
1 1 1 -6  10 9  o 279.1906 6.148692 2286.757       100.6779 2244.018       260.5600 2294.258       109.1554 275.7272 16.18421 279.6372 6.655792 -3.909943      17.49938 
1 1 1 -6  10 10 o 1182.147 17.55641 41116.52       1217.188 37789.97       2480.192 42171.90       1396.991 1125.992 37.61053 1196.652 19.90559 -70.66077      42.55331 
1 1 1 -6  10 11 o 469.4825 7.890227 6467.472       217.2498 6390.210       490.3537 6486.341       242.3315 465.7077 17.98717 470.1311 8.789021 -4.423370      20.01962 
1 1 1 -6  10 12 o 403.7729 8.051685 4783.814       190.6666 4724.324       391.0786 4802.364       218.3787 400.4859 16.68702 404.5151 9.205028 -4.029175      19.05752 
1 1 1 -6  10 13 o 664.2687 11.67602 12956.93       454.8721 12522.39       876.2923 13117.20       532.1876 651.3597 22.97514 668.2035 13.58018 -16.84381      26.68855 
1 1 1 -6  10 14 o 154.5602 14.72553 708.4110       131.8698 703.6666       233.9854 710.6194       159.6369 152.0730 27.23555 154.3823 17.96665 -2.309296      32.62783 
1 1 1 -6  10 15 o 994.6895 14.76850 29081.90       861.5380 28204.18       1871.148 29318.04       970.5343 974.5211 32.78575 998.4135 16.57486 -23.89240      36.73733 
1 1 1 -6  10 16 o 721.6884 11.23465 15294.82       475.5099 14564.61       1027.023 15494.06       536.4755 701.8277 24.99154 726.2398 12.59561 -24.41211      27.98618 
1 1 1 -6  10 17 f 506.3285 8.760244 7524.747       260.1352 7313.129       594.0456 7574.954       289.3537 497.7188 20.39417 507.9604 9.712893 -10.24164      22.58899 
1 1 1 -6  10 18 o 185.8783 7.873517 1015.803       85.63731 851.9880       238.7442 1039.993       91.74247 167.9787 24.99445 188.0530 8.339137 -20.07428      26.34888 
1 1 1 -6  10 19 o 614.8199 9.802432 11099.90       353.4535 10736.66       766.6268 11197.95       398.3140 602.6610 21.72559 617.4186 11.00007 -14.75757      24.35165 
1 1 1 -6  10 20 o 176.1988 7.311789 912.7643       75.39322 748.2836       218.7564 934.9347       80.31378 157.1400 24.53859 178.3046 7.698418 -21.16458      25.71785 
1 1 1 -6  10 21 o 406.6980 9.280275 4858.365       221.3520 4664.771       394.6211 4947.240       267.3759 397.3799 16.97169 410.1016 11.12710 -12.72162      20.29410 
1 1 1 -6  10 22 o 162.8093 7.180769 779.6852       68.39604 667.1696       177.6975 799.2534       74.10529 148.6941 20.95744 164.8070 7.688144 -16.11292      22.32312 
1 1 1 -6  10 23 o 521.0251 8.533411 7975.387       260.7545 7749.257       573.2471 8034.382       292.7996 511.3093 19.15031 522.8252 9.549121 -11.51593      21.39907 
1 1 1 -6  10 24 o 251.1523 6.254755 1851.835       92.12933 1768.339       225.9073 1868.492       100.9014 244.1490 15.86290 252.1589 6.829240 -8.009933      17.27049 
1 1 1 -6  10 25 o 252.8639 7.345476 1880.022       108.8170 1580.700       219.9183 1977.066       125.2205 230.5506 16.37114 259.2240 8.247125 -28.67343      18.33110 
1 1 1 -6  10 26 o 375.8882 7.092648 4151.245       156.3571 3867.955       343.3178 4225.381       175.6285 360.9999 16.25753 379.1418 7.898468 -18.14182      18.07465 
1 1 1 -6  10 27 o 306.6731 6.616630 2763.003       119.0044 2572.593       270.4723 2808.714       132.5210 294.2390 15.73090 309.1360 7.309449 -14.89703      17.34616 
1 1 1 -6  10 28 o 615.8733 9.906120 11174.31       357.8042 10862.52       762.9865 11262.21       405.1118 601.6088 21.66015 617.8992 11.17910 -16.29041      24.37487 
1 1 1 -6  10 29 o 212.0374 6.801135 1322.806       84.46605 1248.589       210.9019 1336.985       92.18195 203.9918 17.80689 213.1083 7.386728 -9.116531      19.27820 
1 1 1 -6  10 30 o 214.6605 9.644892 1360.402       121.1126 0.000000       0.000000 1360.402       121.1126 ?        ?        214.6605 9.644892 0.000000       9.644892 
1 1 1 -6  10 31 o 221.2248 7.047448 1440.222       91.31914 1273.603       123.2455 1643.056       135.9812 207.6122 10.15282 235.9211 9.849587 -28.30887      14.14547 
1 1 1 -6  10 32 o 306.7112 7.553050 2766.561       135.8634 2890.102       213.9636 2683.095       175.8692 312.6395 11.68991 301.5652 9.957582 11.07431       15.35602 
1 1 1 -6  10 33 o 40.45561 17.51519 -8.964481      76.48743 -40.98484      108.9287 22.17852       107.4260 45.26736 20.19489 51.77318 21.50229 -6.505817      29.49885 
1 1 1 -6  10 34 o 33.24723 15.35091 -55.15599      69.96192 -75.74786      95.17798 -30.95183      103.1890 38.61437 17.85585 44.81168 19.84247 -6.197311      26.69373 
1 1 1 -6  10 35 o 317.2652 6.839217 2960.864       127.2563 2835.459       168.5336 3127.196       194.0967 309.9317 9.282389 325.2831 10.18690 -15.35135      13.78172 
1 1 1 -6  10 36 f 401.8149 7.213902 4753.417       169.9992 4568.582       225.5561 4996.486       258.6596 393.2696 9.779434 410.8282 10.74461 -17.55859      14.52873 
1 1 1 -6  10 37 o 123.8289 11.81587 458.9230       84.77084 412.6357       116.6077 510.8045       123.4532 115.8743 17.72115 129.4901 16.64024 -13.61576      24.30919 
1 1 1 -6  10 38 o 150.3679 10.39757 672.8003       91.12868 703.9677       127.1212 639.8512       130.7043 152.8482 14.34880 145.3072 15.58043 7.541016       21.18107 
1 1 1 -6  10 39 o 131.3556 12.23482 518.4022       93.16949 497.6916       134.0323 537.7664       129.6025 126.7343 18.58484 132.3475 17.09634 -5.613243      25.25235 
1 1 1 -6  10 40 o 181.6669 9.186397 981.0536       97.55729 883.6917       137.2684 1080.423       138.6760 170.9243 13.81108 189.5849 12.54283 -18.66054      18.65660 
1 1 1 -6  10 41 o 98.59566 15.08508 301.5981       84.45873 290.8250       120.6775 311.9413       118.2450 94.16021 22.21448 97.97660 21.19544 -3.816391      30.70391 
1 1 1 -6  10 42 o 69.14598 19.38612 154.7678       81.76739 135.3658       115.8663 174.0167       115.4081 66.96053 23.65835 73.27248 23.61820 -6.311951      33.42959 
1 1 1 -6  10 43 o 298.0942 7.426227 2635.694       129.8292 2569.581       176.9260 2712.829       191.1051 292.6137 10.32589 300.2997 10.86886 -7.685913      14.99187 
1 1 1 -6  10 44 o 95.79885 16.67967 293.3217       90.30978 320.8311       127.2745 265.4262       128.1648 97.21032 22.73252 87.70656 24.15203 9.503761       33.16757 
1 1 1 -6  10 45 o 242.8762 8.123295 1761.659       115.5463 1688.302       154.5936 1854.508       173.9234 235.8405 11.20901 246.5422 12.06527 -10.70169      16.46854 
1 1 1 -6  10 46 f 46.77328 19.91212 20.56168       95.78140 35.85735       132.7237 3.938605       138.3630 54.59330 23.34607 52.42432 23.10536 2.168987       32.84656 
1 1 1 -6  10 47 o 56.74501 21.97361 88.03574       104.1894 -49.89807      148.3158 222.4202       146.3951 49.35315 22.62753 78.31424 26.65029 -28.96109      34.96059 
1 1 1 -6  10 48 o 60.43618 22.56537 112.9678       107.4217 89.53263       156.0191 134.0909       148.1228 61.91383 25.82942 66.13580 26.02822 -4.221970      36.66916 
1 1 1 -6  10 49 o 95.67479 21.21173 320.1828       115.8967 266.9922       173.1280 363.3754       156.0106 82.51709 28.93895 97.67395 26.54628 -15.15686      39.27045 
1 1 1 -6  10 50 o 49.52212 21.77327 12.46458       122.1775 -86.30473      193.7770 77.63790       157.4078 52.71888 24.74072 60.13592 25.56092 -7.417042      35.57336 
1 1 1 -6  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 4  o 100.3853 9.015961 298.2572       52.51540 0.000000       0.000000 298.2572       52.51540 ?        ?        100.3853 9.015961 0.000000       9.015961 
1 1 1 -6  11 5  o 838.3376 14.20968 20670.64       698.6404 0.000000       0.000000 20670.64       698.6404 ?        ?        838.3376 14.20968 0.000000       14.20968 
1 1 1 -6  11 6  o 315.0897 6.889625 2913.194       127.3152 0.000000       0.000000 2913.194       127.3152 ?        ?        315.0897 6.889625 0.000000       6.889625 
1 1 1 -6  11 7  o 558.7953 10.03430 9167.892       328.8443 0.000000       0.000000 9167.892       328.8443 ?        ?        558.7953 10.03430 0.000000       10.03430 
1 1 1 -6  11 8  o 130.9163 7.043812 504.3207       53.88277 0.000000       0.000000 504.3207       53.88277 ?        ?        130.9163 7.043812 0.000000       7.043812 
1 1 1 -6  11 9  o 519.5515 8.474503 7921.495       258.2220 7501.047       571.8280 8029.193       289.4106 504.4013 19.36628 523.0239 9.435010 -18.62253      21.54234 
1 1 1 -6  11 10 o 389.4379 7.105403 4449.556       162.2847 4359.119       379.3197 4469.818       179.5464 384.6440 16.85589 390.3020 7.843782 -5.658020      18.59156 
1 1 1 -6  11 11 o 611.2549 9.665745 10966.48       346.5040 10202.17       742.2059 11179.49       391.8253 588.1005 21.55548 617.0903 10.82663 -28.98987      24.12167 
1 1 1 -6  11 12 o 410.8436 8.498951 4953.230       204.7823 4579.938       403.7594 5082.513       237.6119 394.2111 17.50766 416.1236 9.736332 -21.91251      20.03283 
1 1 1 -6  11 13 o 231.4361 12.62890 1577.917       170.7648 1808.115       277.5759 1437.740       216.6048 247.0936 19.30765 220.4617 16.88109 26.63184       25.64676 
1 1 1 -6  11 14 o 872.7494 13.20939 22377.81       676.1183 21207.70       1440.725 22708.29       765.6677 846.0844 29.07789 878.9517 14.85336 -32.86725      32.65189 
1 1 1 -6  11 15 o 410.4304 12.92135 4953.883       310.6394 4908.490       473.4724 4988.190       411.6149 407.7477 19.85916 411.4098 17.09674 -3.662170      26.20467 
1 1 1 -6  11 16 o 462.8637 8.298394 6287.619       225.2671 7223.930       606.9282 6138.025       242.5959 494.5938 20.97128 457.2888 9.045704 37.30499       22.83898 
1 1 1 -6  11 17 o 500.9401 8.644497 7365.659       253.9663 7023.800       577.2721 7447.706       282.8050 487.7124 20.22599 503.6673 9.573987 -15.95490      22.37749 
1 1 1 -6  11 18 o 406.9105 7.489130 4859.141       178.7232 5081.349       444.5380 4816.298       195.1934 414.9022 18.31403 405.0804 8.216245 9.821838       20.07263 
1 1 1 -6  11 19 o 529.5084 8.700600 8231.662       270.1920 8515.937       644.6244 8171.076       297.5950 536.7239 20.51661 527.4858 9.619761 9.238037       22.65990 
1 1 1 -6  11 20 o 123.6682 9.563165 451.8993       68.82166 168.8372       223.2520 481.6232       72.34492 86.58977 32.48966 127.6773 9.734879 -41.08753      33.91675 
1 1 1 -6  11 21 o 412.5947 7.479574 4997.819       180.9885 4894.921       416.0551 5021.835       201.0034 406.8887 17.47585 413.5293 8.287939 -6.640533      19.34155 
1 1 1 -6  11 22 o 432.0825 7.691722 5482.450       194.9130 5352.092       440.6245 5514.165       217.3332 425.2511 17.70614 433.2572 8.553223 -8.006073      19.66380 
1 1 1 -6  11 23 o 555.4791 9.040173 9068.791       294.5066 9229.216       661.4355 9029.122       328.9090 557.4581 20.26507 554.1024 10.12127 3.355713       22.65200 
1 1 1 -6  11 24 f 267.9926 7.574943 2111.614       118.9369 1964.517       250.2927 2154.517       135.1737 257.1526 16.68623 270.6086 8.527906 -13.45602      18.73914 
1 1 1 -6  11 25 o 459.0832 7.909795 6194.357       212.9645 6167.426       480.8112 6200.930       237.5358 455.5626 18.03162 459.1990 8.820181 -3.636414      20.07324 
1 1 1 -6  11 26 o 432.7772 7.648265 5505.269       194.1234 5381.508       436.0602 5535.858       216.7903 425.4069 17.51545 433.8542 8.520116 -8.447327      19.47777 
1 1 1 -6  11 27 o 427.5744 7.571889 5374.802       189.8744 5497.862       439.1791 5346.512       210.5713 429.7219 17.46262 426.3177 8.422001 3.404175       19.38745 
1 1 1 -6  11 28 o 175.4859 7.263928 906.9020       74.59751 906.7114       213.4006 906.9285       79.62063 172.6556 21.54223 175.4360 7.757677 -2.780411      22.89649 
1 1 1 -6  11 29 o 503.6826 8.573062 7467.350       253.2465 6955.606       542.4186 7609.994       286.3747 482.1291 19.22172 508.2267 9.607860 -26.09763      21.48919 
1 1 1 -6  11 30 o 410.5282 7.595866 4956.746       182.8819 4804.113       418.6143 4992.749       203.3100 401.1040 17.83999 411.8773 8.416674 -10.77325      19.72576 
1 1 1 -6  11 31 o 60.48663 20.56267 101.9583       87.15004 -211.1510      227.5446 155.7843       94.34401 57.51731 26.93399 71.46627 21.07419 -13.94896      34.19884 
1 1 1 -6  11 32 o 295.2741 6.935171 2563.012       120.0973 2413.376       162.1917 2744.640       178.6909 286.0270 9.682725 304.9874 10.00364 -18.96036      13.92221 
1 1 1 -6  11 33 o 162.1935 8.478558 776.5716       80.37026 755.4075       107.3573 803.5558       121.2231 159.5049 11.55477 164.3337 12.67580 -4.828842      17.15193 
1 1 1 -6  11 34 o 46.52956 18.36037 37.36634       73.87762 67.53989       103.1360 5.568710       105.8753 56.96995 21.91483 49.36203 20.97172 7.607922       30.33270 
1 1 1 -6  11 35 o 296.5191 6.837564 2586.797       118.9063 2569.469       160.8744 2607.662       176.5318 294.9645 9.311313 296.9535 10.15133 -1.988953      13.77498 
1 1 1 -6  11 36 o 248.7367 7.132609 1823.095       103.9418 1781.286       139.8247 1874.735       155.3972 245.3520 9.736594 251.5179 10.55822 -6.165863      14.36236 
1 1 1 -6  11 37 o 152.8878 9.603793 693.5944       85.67749 694.6395       117.5666 692.4108       125.1182 152.1884 13.30569 151.7018 14.22914 0.4865723      19.48101 
1 1 1 -6  11 38 o 217.9252 8.139132 1403.587       103.8418 1267.672       143.2184 1554.238       150.7823 206.1645 11.89550 228.5323 11.28490 -22.36780      16.39670 
1 1 1 -6  11 39 o 208.9434 8.497417 1292.889       103.9104 1282.286       150.0039 1302.672       144.0783 206.9372 12.41697 208.7846 11.81478 -1.847382      17.13972 
1 1 1 -6  11 40 o 37.32531 16.99415 -44.80838      81.77880 -75.47083      125.6100 -22.24937      107.7409 45.20956 20.76319 45.94172 20.31236 -0.7321625     29.04655 
1 1 1 -6  11 41 o 60.80498 20.02992 113.2671       82.77434 189.2829       122.6777 49.73757       112.1506 76.36071 24.32426 54.57153 22.24195 21.78918       32.96019 
1 1 1 -6  11 42 o 211.4756 9.578646 1337.520       118.4911 1219.832       187.1009 1416.329       153.1080 198.3551 16.22521 216.3789 12.11350 -18.02383      20.24832 
1 1 1 -6  11 43 o 165.3308 10.11258 822.0272       97.58514 876.1768       136.4232 765.2893       139.6456 168.8816 13.89670 156.9740 15.36530 11.90758       20.71740 
1 1 1 -6  11 44 o 120.9773 13.75639 453.9430       95.87067 376.3662       135.4468 531.8293       135.7168 105.3461 22.60025 128.3759 18.56441 -23.02985      29.24737 
1 1 1 -6  11 45 o 97.29713 17.64536 307.7250       96.98193 335.5871       131.6956 274.7130       143.3509 98.49008 23.18666 87.60722 26.01410 10.88286       34.84760 
1 1 1 -6  11 46 o 185.3858 10.11213 1040.873       109.5273 1095.322       154.7592 986.2325       155.0311 187.3594 14.18964 177.0602 15.07272 10.29913       20.70103 
1 1 1 -6  11 47 o 77.86559 22.27358 213.0201       106.8450 239.7330       156.9664 189.9573       145.8488 80.44942 27.59039 73.55300 26.48211 6.896423       38.24306 
1 1 1 -6  11 48 f 87.58837 21.94661 270.5365       112.4943 109.1405       158.8750 432.8128       159.3077 64.07414 26.33468 108.4992 25.47405 -44.42509      36.63935 
1 1 1 -6  11 49 o 58.33659 22.98947 96.54463       115.6920 122.3923       170.6972 74.58279       157.3438 65.72061 27.18250 59.98019 25.52741 5.740421       37.28991 
1 1 1 -6  11 50 o 41.79862 19.55845 -75.33554      119.6069 15.09164       178.8531 -148.4940      160.8715 57.14267 25.65607 44.68625 21.41655 12.45642       33.42009 
1 1 1 -6  12 1  o 953.2325 18.52982 26772.28       1035.906 0.000000       0.000000 26772.28       1035.906 ?        ?        953.2325 18.52982 0.000000       18.52982 
1 1 1 -6  12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  12 4  o 161.1608 6.388144 763.2097       60.25919 0.000000       0.000000 763.2097       60.25919 ?        ?        161.1608 6.388144 0.000000       6.388144 
1 1 1 -6  12 5  o 637.7925 12.60649 11951.07       471.5461 0.000000       0.000000 11951.07       471.5461 ?        ?        637.7925 12.60649 0.000000       12.60649 
1 1 1 -6  12 6  o 906.1051 15.33364 24139.66       814.8437 0.000000       0.000000 24139.66       814.8437 ?        ?        906.1051 15.33364 0.000000       15.33364 
1 1 1 -6  12 7  o 284.0579 6.803315 2367.271       113.3386 0.000000       0.000000 2367.271       113.3386 ?        ?        284.0579 6.803315 0.000000       6.803315 
1 1 1 -6  12 8  o 821.4179 14.03561 19825.36       676.1548 0.000000       0.000000 19825.36       676.1548 ?        ?        821.4179 14.03561 0.000000       14.03561 
1 1 1 -6  12 9  o 451.8538 8.540059 5991.438       226.3129 0.000000       0.000000 5991.438       226.3129 ?        ?        451.8538 8.540059 0.000000       8.540059 
1 1 1 -6  12 10 o 556.2331 9.083985 9080.060       296.3356 9097.393       667.1982 9075.801       330.7491 555.4613 20.51622 556.0467 10.14231 -0.5853882     22.88628 
1 1 1 -6  12 11 o 990.2357 14.81098 28817.63       860.1477 26319.95       1762.054 29598.99       985.5496 942.0358 31.93963 1003.262 16.74996 -61.22577      36.06524 
1 1 1 -6  12 12 o 615.1925 11.36901 11112.89       410.1890 10426.31       768.4530 11386.47       485.0750 594.3745 22.08322 622.5657 13.28535 -28.19122      25.77148 
1 1 1 -6  12 13 o 560.6235 11.47731 9229.585       377.3653 0.000000       0.000000 9229.585       377.3653 ?        ?        560.6235 11.47731 0.000000       11.47731 
1 1 1 -6  12 14 o 487.2334 13.99316 6982.471       399.4415 7119.305       605.8673 6877.266       531.2501 491.0526 21.08688 482.9582 18.79181 8.094330       28.24515 
1 1 1 -6  12 15 o 381.0138 7.886525 4260.148       176.2288 4421.479       476.5145 4234.585       189.6769 386.7131 21.09034 379.8456 8.514455 6.867554       22.74420 
1 1 1 -6  12 16 o 752.4816 11.71368 16633.13       516.9395 16473.50       1153.838 16673.22       578.2161 745.7402 26.42369 753.2238 13.08928 -7.483582      29.48798 
1 1 1 -6  12 17 o 216.9284 7.495348 1382.632       95.21510 868.0175       308.0297 1436.998       100.1183 168.0990 32.41965 221.1436 7.731382 -53.04453      33.32879 
1 1 1 -6  12 18 o 191.1530 7.393919 1073.976       82.73449 733.7056       287.5957 1104.677       86.38624 154.0802 32.83139 193.8566 7.613050 -39.77637      33.70251 
1 1 1 -6  12 19 o 130.8597 9.077252 505.2879       69.23261 627.8175       269.8092 496.6515       71.63095 142.1933 32.99286 129.6938 9.482940 12.49950       34.32863 
1 1 1 -6  12 20 o 287.0798 8.540116 2422.422       143.6263 2595.259       316.8300 2377.717       161.1340 295.9308 18.34536 284.3204 9.677480 11.61041       20.74141 
1 1 1 -6  12 21 o 108.9877 9.695182 351.8150       61.32423 294.4189       219.7608 356.6618       63.86100 100.4083 32.61016 109.7029 10.03693 -9.294617      34.11983 
1 1 1 -6  12 22 o 330.1411 6.695160 3199.896       129.6316 3331.384       323.8697 3174.812       141.4571 335.4471 16.51325 328.8054 7.335597 6.641754       18.06927 
1 1 1 -6  12 23 o 381.8144 7.083365 4281.438       158.6143 4096.488       370.6790 4322.894       175.4923 371.7369 17.04785 383.5960 7.800698 -11.85910      18.74780 
1 1 1 -6  12 24 o 500.3966 8.290001 7360.188       243.2873 7399.025       560.8570 7351.186       270.0132 498.7614 19.20974 499.9507 9.208892 -1.189301      21.30300 
1 1 1 -6  12 25 o 265.0394 6.528313 2063.280       101.4757 1969.433       262.8601 2079.716       110.0031 257.0511 17.54143 265.9628 7.058582 -8.911774      18.90834 
1 1 1 -6  12 26 o 246.7240 6.558170 1789.555       94.81113 1815.749       250.3716 1785.170       102.4402 246.6553 17.41994 246.3679 7.097223 0.2874298      18.81023 
1 1 1 -6  12 27 o 40.92477 15.81254 32.30341       53.86594 144.2879       190.6833 22.59208       56.15302 79.13125 29.95291 39.64459 15.88767 39.48666       33.90567 
1 1 1 -6  12 28 o 309.1338 6.844375 2808.868       124.0883 2689.223       305.6927 2832.472       135.7779 300.0708 17.44567 310.3617 7.459511 -10.29092      18.97356 
1 1 1 -6  12 29 o 146.9309 8.523126 637.5462       73.12979 1024.896       252.2995 602.0181       76.40998 182.7987 24.12198 142.6819 9.179970 40.11676       25.80972 
1 1 1 -6  12 30 o 276.1560 7.138528 2243.640       115.5180 2376.721       312.1133 2222.516       124.3485 281.4842 19.01800 274.7752 7.724020 6.708923       20.52669 
1 1 1 -6  12 31 o 383.2076 8.896159 4323.515       199.9343 4539.509       426.5936 4262.715       226.3313 389.5629 18.72665 380.1378 10.16114 9.425049       21.30578 
1 1 1 -6  12 32 o 33.28566 15.39809 -57.97552      70.88666 -28.65944      95.48713 -93.96758      105.8023 43.19943 19.11008 39.94959 18.59414 3.249836       26.66340 
1 1 1 -6  12 33 o 127.0622 10.43392 479.5592       77.06818 418.6292       105.5160 549.2330       112.8333 117.6560 15.68177 135.3014 14.44256 -17.64545      21.31914 
1 1 1 -6  12 34 o 281.2949 6.767767 2327.185       111.6498 2162.222       145.3790 2564.384       174.3272 270.6545 9.171998 294.5778 10.10551 -23.92331      13.64723 
1 1 1 -6  12 35 o 312.2132 6.946021 2868.745       127.1856 2750.195       169.7547 3020.456       192.0339 305.0711 9.499480 319.5215 10.26102 -14.45035      13.98316 
1 1 1 -6  12 36 o 430.4616 7.462721 5458.684       188.4005 5255.958       250.6948 5721.750       285.5775 421.5747 10.13959 439.3588 11.09179 -17.78412      15.02794 
1 1 1 -6  12 37 o 209.8298 7.912441 1300.188       97.19623 1281.744       130.9729 1322.796       145.0086 207.7105 10.78857 210.7597 11.77842 -3.049179      15.97261 
1 1 1 -6  12 38 o 115.4077 13.15230 402.3975       87.43301 512.0711       129.0764 309.4088       118.8532 129.0524 17.50506 98.73823 21.16088 30.31414       27.46288 
1 1 1 -6  12 39 o 65.85074 20.52717 134.1108       87.81377 63.10489       128.5643 196.2081       120.2291 59.60230 23.98654 78.49672 23.94043 -18.89442      33.88950 
1 1 1 -6  12 40 o 75.69469 18.92054 183.7821       83.75777 306.1315       126.3620 87.90105       111.8618 96.70553 22.67572 59.96651 22.88423 36.73902       32.21608 
1 1 1 -6  12 41 o 221.1500 8.309918 1454.007       107.5873 1512.263       155.0325 1399.889       149.4252 223.9825 11.84417 215.4647 11.87077 8.517822       16.76900 
1 1 1 -6  12 42 o 160.9799 10.33518 779.3154       97.05984 654.7762       139.7153 895.4801       134.9361 144.5600 16.79163 171.1183 13.55632 -26.55830      21.58084 
1 1 1 -6  12 43 o 49.00861 20.05454 39.33430       91.62315 -174.4386      133.1695 231.4875       126.2561 39.76657 19.16801 82.27658 24.40942 -42.51001      31.03598 
1 1 1 -6  12 44 o 65.13371 20.99909 138.6983       91.22819 31.90219       131.3802 238.1391       126.7753 54.44798 23.25428 82.67757 24.44208 -28.22960      33.73687 
1 1 1 -6  12 45 o 44.44612 19.26541 5.270136       92.75651 13.19185       130.5936 -2.794849      131.7693 52.17138 22.73404 50.88159 22.48146 1.289795       31.97269 
1 1 1 -6  12 46 o 150.2304 12.26189 695.8571       107.0965 777.2626       155.5849 622.5516       147.6416 155.1475 17.39843 137.6902 18.77167 17.45735       25.59455 
1 1 1 -6  12 47 o 71.12898 22.53399 176.7373       105.4059 70.12064       155.2469 267.9185       143.5698 60.06275 25.45135 84.84370 26.21429 -24.78094      36.53711 
1 1 1 -6  12 48 o 153.7428 13.09391 738.5787       116.9409 602.5266       172.4434 854.4163       159.1179 130.4976 23.39091 162.1616 16.98252 -31.66397      28.90572 
1 1 1 -6  12 49 o 120.7663 17.42785 481.7036       119.8685 510.1624       176.4665 457.3232       163.3335 116.2549 26.47651 110.6356 25.66993 5.619270       36.87751 
1 1 1 -6  12 50 o 99.04215 20.69068 343.1291       116.3026 459.6731       164.1004 225.5098       164.8556 110.2371 25.83565 76.50191 28.06452 33.73518       38.14575 
1 1 1 -6  13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  13 4  o 609.3315 15.22451 10914.30       544.0610 0.000000       0.000000 10914.30       544.0610 ?        ?        609.3315 15.22451 0.000000       15.22451 
1 1 1 -6  13 5  o 971.7599 18.58634 27790.21       1059.262 0.000000       0.000000 27790.21       1059.262 ?        ?        971.7599 18.58634 0.000000       18.58634 
1 1 1 -6  13 6  o 837.8269 14.21575 20625.89       698.5132 0.000000       0.000000 20625.89       698.5132 ?        ?        837.8269 14.21575 0.000000       14.21575 
1 1 1 -6  13 7  o 624.2258 10.95770 11439.88       401.1544 0.000000       0.000000 11439.88       401.1544 ?        ?        624.2258 10.95770 0.000000       10.95770 
1 1 1 -6  13 8  o 479.6518 9.043590 6751.861       254.4002 0.000000       0.000000 6751.861       254.4002 ?        ?        479.6518 9.043590 0.000000       9.043590 
1 1 1 -6  13 9  o 233.3527 6.630965 1598.774       90.65662 0.000000       0.000000 1598.774       90.65662 ?        ?        233.3527 6.630965 0.000000       6.630965 
1 1 1 -6  13 10 o 131.0057 8.555569 505.7886       65.37428 0.000000       0.000000 505.7886       65.37428 ?        ?        131.0057 8.555569 0.000000       8.555569 
1 1 1 -6  13 11 o 477.3002 8.368382 6685.351       234.2521 6623.599       554.2103 6698.783       258.4765 473.8532 19.98741 477.7415 9.225237 -3.888245      22.01367 
1 1 1 -6  13 12 o 288.4760 14.30637 2451.707       241.2863 2390.836       384.1828 2491.357       310.0679 283.7620 23.28995 290.3788 18.30020 -6.616760      29.61957 
1 1 1 -6  13 13 o 423.3077 14.12199 5272.236       350.1017 5258.357       540.2587 5282.284       459.6813 421.7534 21.91721 423.1946 18.56626 -1.441193      28.72403 
1 1 1 -6  13 14 o 509.0822 14.58715 7625.306       435.0717 8126.951       671.7836 7262.890       570.9981 524.4913 21.88750 496.1396 19.66261 28.35172       29.42246 
1 1 1 -6  13 15 o 510.4936 14.41346 7668.252       431.0961 7211.675       620.2053 8095.050       599.6387 494.0056 21.45805 523.7725 19.55508 -29.76694      29.03186 
1 1 1 -6  13 16 o 312.8645 9.208920 2876.160       168.7884 0.000000       0.000000 2876.160       168.7884 ?        ?        312.8645 9.208920 0.000000       9.208920 
1 1 1 -6  13 17 o 517.7554 8.904542 7870.288       270.3876 7614.048       614.7740 7931.742       301.0703 507.5063 20.69835 519.7010 9.877881 -12.19476      22.93457 
1 1 1 -6  13 18 o 376.5281 7.502983 4161.385       165.6845 4035.694       423.1998 4184.138       180.0573 369.2424 19.61300 377.5240 8.132344 -8.281555      21.23216 
1 1 1 -6  13 19 o 480.9348 9.431717 6794.456       266.0281 7067.131       572.7756 6719.456       300.3940 488.5895 20.03142 478.1517 10.71211 10.43784       22.71579 
1 1 1 -6  13 20 o 185.7959 7.430563 1015.127       80.80375 777.0422       272.6152 1038.059       84.60565 158.6320 30.40910 187.8670 7.695175 -29.23506      31.36764 
1 1 1 -6  13 21 o 225.5465 6.795831 1494.845       89.79113 1497.071       264.8834 1494.556       95.44204 223.8676 20.39880 225.4940 7.226289 -1.626373      21.64094 
1 1 1 -6  13 22 o 77.06385 12.67737 179.5057       55.30618 10.76086       215.1714 191.4426       57.22892 70.36502 29.89610 79.64333 12.67673 -9.278313      32.47270 
1 1 1 -6  13 23 o 278.2417 6.645060 2273.549       108.4355 2101.158       288.0820 2302.005       117.0435 265.5221 18.61770 279.8554 7.137028 -14.33334      19.93880 
1 1 1 -6  13 24 o 400.2861 9.411464 4714.092       220.9420 0.000000       0.000000 4714.092       220.9420 ?        ?        400.2861 9.411464 0.000000       9.411464 
1 1 1 -6  13 25 o 357.4740 7.036708 3754.867       147.5246 3573.698       364.9868 3790.244       161.2865 346.3367 18.03127 359.0866 7.658581 -12.74988      19.59032 
1 1 1 -6  13 26 o 362.7008 7.127535 3866.525       151.6137 3627.156       355.8513 3919.613       167.5853 348.8734 17.44740 365.0956 7.826703 -16.22223      19.12247 
1 1 1 -6  13 27 o 283.7384 6.898387 2366.297       114.7932 2127.440       290.6594 2410.439       124.9509 266.4480 18.71948 286.2211 7.450002 -19.77313      20.14749 
1 1 1 -6  13 28 o 364.2235 9.433668 3910.398       201.3415 0.000000       0.000000 3910.398       201.3415 ?        ?        364.2235 9.433668 0.000000       9.433668 
1 1 1 -6  13 29 o 220.8782 7.278450 1436.081       94.15617 1269.569       266.5057 1459.829       100.6468 204.2478 22.62749 222.6465 7.719537 -18.39868      23.90804 
1 1 1 -6  13 30 o 186.2186 8.133201 1022.231       88.61077 642.5242       265.9523 1069.646       93.98062 141.6072 32.68589 190.4594 8.434589 -48.85220      33.75663 
1 1 1 -6  13 31 o 364.8490 10.19480 3927.376       217.9296 0.000000       0.000000 3927.376       217.9296 ?        ?        364.8490 10.19480 0.000000       10.19480 
1 1 1 -6  13 32 o 131.3308 9.917741 511.3474       75.82430 423.0851       100.3965 628.5374       115.6848 118.5302 14.76138 145.0212 13.76661 -26.49094      20.18460 
1 1 1 -6  13 33 f 227.4257 7.154786 1522.940       95.31166 1541.377       128.8785 1500.683       141.5999 228.4196 9.642165 225.1752 10.75347 3.244400       14.44328 
1 1 1 -6  13 34 o 257.4848 6.859921 1951.814       103.4985 1985.151       140.8790 1912.723       152.5554 259.2541 9.280499 254.2733 10.25103 4.980743       13.82791 
1 1 1 -6  13 35 o 214.2216 7.688281 1353.641       96.43578 1427.566       134.0406 1274.318       138.8480 219.4642 10.44408 207.0892 11.47714 12.37497       15.51784 
1 1 1 -6  13 36 o 218.6151 7.560421 1409.994       96.78822 1246.577       128.4430 1624.716       147.2309 204.8995 10.72591 233.9853 10.75780 -29.08577      15.19129 
1 1 1 -6  13 37 o 273.4734 7.246432 2205.524       116.1200 2270.821       160.7270 2134.228       167.9478 276.8167 9.916267 268.1187 10.70212 8.697998       14.58999 
1 1 1 -6  13 38 o 150.0789 10.85038 672.4218       94.85778 643.5815       139.5461 697.1952       129.3336 145.0579 16.70795 151.7264 14.71919 -6.668488      22.26679 
1 1 1 -6  13 39 o 127.7510 11.84586 491.5742       87.74184 452.8637       131.2396 522.8616       117.9871 120.0034 19.30198 130.5198 15.73054 -10.51640      24.90013 
1 1 1 -6  13 40 o 57.86680 20.22281 96.72469       84.49799 -58.25384      129.4276 211.8494       111.5515 47.11821 21.42414 80.37484 22.68180 -33.25663      31.20029 
1 1 1 -6  13 41 o 73.27326 19.57105 174.7263       85.69309 195.0065       124.1025 156.2451       118.4703 76.98129 24.45856 70.44450 23.97412 6.536797       34.24879 
1 1 1 -6  13 42 o 60.25810 20.46971 111.2788       86.36207 139.5753       122.3628 83.19253       121.9073 67.71171 24.27147 59.75014 23.58272 7.961571       33.84153 
1 1 1 -6  13 43 o 93.24789 17.20896 279.5698       90.64556 269.7136       124.9989 290.5016       131.6434 88.64021 23.61977 91.75651 24.14186 -3.116302      33.77459 
1 1 1 -6  13 44 o 266.6142 7.758524 2119.070       121.1855 2068.658       165.6232 2177.159       177.7869 261.4076 10.82664 267.7753 11.34656 -6.367706      15.68313 
1 1 1 -6  13 45 o 46.80854 19.84437 22.84269       94.45470 -42.17904      138.6127 79.20840       129.0569 48.66933 22.14576 58.87318 23.90996 -10.20385      32.59019 
1 1 1 -6  13 46 o 168.9271 11.25224 873.1982       110.8423 860.8527       161.4272 884.2111       152.4658 163.4011 17.09781 166.7183 15.78117 -3.317215      23.26759 
1 1 1 -6  13 47 o 60.82535 22.25754 117.1044       103.5904 345.5869       157.7141 -56.25927      137.3798 95.53658 26.97281 46.80672 21.57561 48.72985       34.54041 
1 1 1 -6  13 48 o 43.30049 19.51933 -22.70313      104.7029 -24.17832      160.5278 -21.61090      138.1285 52.40426 23.84016 49.28080 22.29800 3.123459       32.64283 
1 1 1 -6  13 49 o 122.0075 17.22898 490.7695       119.8540 467.3456       173.2761 512.2568       165.9588 110.4431 26.98520 118.1552 24.74387 -7.712067      36.61230 
1 1 1 -6  14 1  o 179.8957 20.29532 964.8335       210.3916 964.8335       210.3916 0.000000       0.000000 179.8957 20.29532 ?        ?        0.000000       20.29532 
1 1 1 -6  14 2  o 1098.254 21.26461 35528.08       1369.654 0.000000       0.000000 35528.08       1369.654 ?        ?        1098.254 21.26461 0.000000       21.26461 
1 1 1 -6  14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  14 4  o 591.1476 11.79406 10261.47       408.8932 0.000000       0.000000 10261.47       408.8932 ?        ?        591.1476 11.79406 0.000000       11.79406 
1 1 1 -6  14 5  o 245.9173 7.141043 1775.754       102.8824 0.000000       0.000000 1775.754       102.8824 ?        ?        245.9173 7.141043 0.000000       7.141043 
1 1 1 -6  14 6  f 1241.327 20.73234 45376.86       1509.333 0.000000       0.000000 45376.86       1509.333 ?        ?        1241.327 20.73234 0.000000       20.73234 
1 1 1 -6  14 7  o 516.9713 9.563272 7844.239       289.9502 0.000000       0.000000 7844.239       289.9502 ?        ?        516.9713 9.563272 0.000000       9.563272 
1 1 1 -6  14 8  o 327.3385 7.405799 3143.816       142.1738 0.000000       0.000000 3143.816       142.1738 ?        ?        327.3385 7.405799 0.000000       7.405799 
1 1 1 -6  14 9  o 489.4113 9.266238 7030.036       265.9671 0.000000       0.000000 7030.036       265.9671 ?        ?        489.4113 9.266238 0.000000       9.266238 
1 1 1 -6  14 10 o 607.5770 10.83398 10838.54       386.0467 0.000000       0.000000 10838.54       386.0467 ?        ?        607.5770 10.83398 0.000000       10.83398 
1 1 1 -6  14 11 o 622.6209 11.18272 11383.36       408.3397 0.000000       0.000000 11383.36       408.3397 ?        ?        622.6209 11.18272 0.000000       11.18272 
1 1 1 -6  14 12 o 417.2195 9.330134 5109.589       228.2984 5186.944       569.2428 5094.762       249.2196 418.6352 23.27687 416.5728 10.20095 2.062347       25.41401 
1 1 1 -6  14 13 o 631.5813 10.36048 11712.40       383.7600 12607.66       944.3500 11535.31       420.0036 652.8254 24.70985 626.6999 11.42728 26.12549       27.22425 
1 1 1 -6  14 14 o 205.5135 17.83732 1252.836       212.8641 890.1182       367.2597 1436.329       261.2148 169.4267 37.90973 219.7840 20.50173 -50.35722      43.09836 
1 1 1 -6  14 15 o 524.9167 11.06412 8093.464       340.6102 0.000000       0.000000 8093.464       340.6102 ?        ?        524.9167 11.06412 0.000000       11.06412 
1 1 1 -6  14 16 o 659.0425 10.55450 12757.92       407.9450 12872.84       938.5261 12731.15       452.9743 659.1793 24.31853 658.2199 11.73416 0.9594116      27.00151 
1 1 1 -6  14 17 o 702.4331 10.94100 14498.49       450.7258 14918.56       1042.421 14401.90       499.8679 709.0082 25.10890 699.9177 12.17749 9.090515       27.90606 
1 1 1 -6  14 18 o 571.1875 9.366162 9583.413       313.7552 9999.868       749.2220 9494.847       345.5110 580.8162 22.03482 568.4331 10.36411 12.38306       24.35053 
1 1 1 -6  14 19 o 559.4374 9.121992 9194.282       299.2896 9707.467       729.0004 9090.251       328.2264 571.9879 21.77128 556.1531 10.06303 15.83472       23.98444 
1 1 1 -6  14 20 o 175.5444 7.457918 906.5120       76.60628 587.2490       267.7980 934.9658       79.94713 136.9586 33.59824 178.2674 7.664721 -41.30875      34.46143 
1 1 1 -6  14 21 o 600.9772 9.507881 10618.17       335.1137 10670.02       773.2213 10606.18       371.8520 598.7038 22.05893 600.4583 10.55934 -1.754517      24.45600 
1 1 1 -6  14 22 o 755.3669 11.47846 16802.79       508.5013 17582.40       1187.931 16627.90       562.6556 765.2675 26.50842 751.0459 12.77396 14.22162       29.42567 
1 1 1 -6  14 23 o 388.7480 7.212183 4439.924       164.4316 4049.257       395.1237 4521.752       180.8342 368.9248 18.31915 392.2445 7.860917 -23.31970      19.93452 
1 1 1 -6  14 24 o 357.6418 7.086080 3758.266       148.6295 3403.830       366.7072 3827.936       162.5823 337.8910 18.57661 360.8783 7.681780 -22.98734      20.10225 
1 1 1 -6  14 25 o 280.6487 8.593292 2319.281       141.2737 0.000000       0.000000 2319.281       141.2737 ?        ?        280.6487 8.593292 0.000000       8.593292 
1 1 1 -6  14 26 f 134.3202 8.895494 533.3669       69.68005 427.8715       246.6057 542.5202       72.64008 116.2552 34.01535 135.4351 9.199836 -19.17995      35.23750 
1 1 1 -6  14 27 o 123.9583 9.539118 455.2913       68.81506 623.7471       240.0639 440.2100       71.82943 140.2280 30.09147 121.7913 10.14838 18.43673       31.75667 
1 1 1 -6  14 28 o 218.7351 7.320362 1408.451       93.77548 1138.403       270.8981 1445.216       99.95537 192.6574 24.53120 221.5289 7.705255 -28.87149      25.71286 
1 1 1 -6  14 29 o 113.8234 10.81502 385.5726       71.32903 525.7910       278.1789 375.7047       73.79626 127.7549 35.73519 112.2573 11.36549 15.49763       37.49904 
1 1 1 -6  14 30 o 171.8717 8.927536 872.0574       89.67995 980.1432       319.9994 862.8447       93.42373 175.8669 32.21188 170.9026 9.356597 4.964294       33.54327 
1 1 1 -6  14 31 o 34.95144 15.89486 -42.91047      71.28094 -196.5930      295.2229 -33.39660      73.45417 68.65366 31.63965 36.65339 16.45047 32.00028       35.66070 
1 1 1 -6  14 32 o 537.0483 9.086750 8498.058       286.2018 8124.846       637.4014 8592.303       320.3065 519.4137 20.96730 539.7095 10.11941 -20.29584      23.28154 
1 1 1 -6  14 33 o 205.9331 7.348998 1249.472       88.61515 1143.860       118.1114 1385.480       134.0350 196.5732 10.28086 216.3307 10.59675 -19.75754      14.76439 
1 1 1 -6  14 34 o 444.0768 7.535153 5807.172       196.2459 5854.612       276.4469 5758.979       278.6334 444.9755 10.59315 441.2660 10.76669 3.709503       15.10418 
1 1 1 -6  14 35 o 114.0025 11.41498 388.8983       75.29483 363.7504       102.5273 418.3397       110.9349 109.0085 16.55721 117.0365 16.62955 -8.027992      23.46664 
1 1 1 -6  14 36 o 101.4760 14.24168 313.0443       82.42719 318.9865       117.3662 307.2608       115.7891 100.7400 20.56174 98.80760 20.64775 1.932426       29.13957 
1 1 1 -6  14 37 o 150.1520 10.17222 671.0225       89.04841 677.7979       126.5839 664.3846       125.2930 149.7602 14.59730 148.2573 14.59907 1.502838       20.64495 
1 1 1 -6  14 38 o 54.72918 20.09053 76.60474       84.50550 192.2399       131.4996 -4.744425      110.2950 78.33870 25.20738 48.54604 21.02535 29.79266       32.82495 
1 1 1 -6  14 39 o 36.39176 16.65730 -48.86302      79.93012 -28.05107      124.4318 -63.48337      104.2926 48.87077 21.70650 41.32019 18.95568 7.550583       28.81822 
1 1 1 -6  14 40 o 103.6113 14.42791 331.7823       85.29713 335.9649       125.4479 328.1859       116.3248 101.2719 21.76952 100.6554 20.40474 0.6164703      29.83732 
1 1 1 -6  14 41 o 191.7736 9.262251 1099.195       103.8652 1245.610       151.5526 969.5159       142.6283 202.4581 12.82973 178.0459 13.76597 24.41220       18.81765 
1 1 1 -6  14 42 o 148.6277 10.95875 667.9863       94.85193 721.7216       133.1471 612.6163       135.1573 152.5212 15.08232 139.4671 16.86627 13.05409       22.62626 
1 1 1 -6  14 43 o 96.13616 17.03166 297.2012       92.51261 365.3649       129.3802 225.8885       132.3350 104.1349 21.88118 80.69022 25.20617 23.44469       33.37869 
1 1 1 -6  14 44 o 85.95498 19.12938 245.5070       93.94847 68.00629       134.8893 412.7297       130.9258 58.56667 24.18794 111.0322 20.87202 -52.46553      31.94836 
1 1 1 -6  14 45 o 111.7966 15.71295 398.9265       100.1842 308.2327       145.3840 480.9368       138.2490 92.04743 25.86529 119.8366 20.40106 -27.78915      32.94262 
1 1 1 -6  14 46 o 88.79793 20.07065 268.9027       102.0575 185.8039       150.3506 339.9087       138.9810 73.09480 26.80362 97.08091 24.43250 -23.98611      36.26818 
1 1 1 -6  14 47 f 153.0310 13.06842 730.8904       116.1665 835.6655       175.4049 649.0305       155.0416 158.3710 19.28188 139.1935 19.52881 19.17758       27.44386 
1 1 1 -6  14 48 o 79.68422 23.31248 231.1244       115.8378 374.7303       183.5524 136.0741       149.3311 96.09528 29.63184 65.79069 26.05865 30.30460       39.46009 
1 1 1 -6  14 49 o 47.36744 21.25203 -11.13131      122.4799 -37.43283      187.8280 8.326094       161.5520 54.72009 25.22497 54.60923 24.46153 0.1108551      35.13781 
1 1 1 -6  15 1  o 1448.805 27.47119 62010.25       2334.199 0.000000       0.000000 62010.25       2334.199 ?        ?        1448.805 27.47119 0.000000       27.47119 
1 1 1 -6  15 2  o 734.6677 18.84748 15893.14       811.4017 15893.14       811.4017 0.000000       0.000000 734.6677 18.84748 ?        ?        0.000000       18.84748 
1 1 1 -6  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  15 4  o 399.9178 15.16891 4707.409       355.1303 0.000000       0.000000 4707.409       355.1303 ?        ?        399.9178 15.16891 0.000000       15.16891 
1 1 1 -6  15 5  o 209.7351 7.538096 1292.326       92.57130 0.000000       0.000000 1292.326       92.57130 ?        ?        209.7351 7.538096 0.000000       7.538096 
1 1 1 -6  15 6  o 528.9496 11.13234 8214.909       345.3435 0.000000       0.000000 8214.909       345.3435 ?        ?        528.9496 11.13234 0.000000       11.13234 
1 1 1 -6  15 7  o 583.4405 10.63901 9993.767       364.0392 0.000000       0.000000 9993.767       364.0392 ?        ?        583.4405 10.63901 0.000000       10.63901 
1 1 1 -6  15 8  o 556.6978 10.37978 9098.331       338.8895 0.000000       0.000000 9098.331       338.8895 ?        ?        556.6978 10.37978 0.000000       10.37978 
1 1 1 -6  15 9  o 465.5109 9.216933 6360.436       251.6326 0.000000       0.000000 6360.436       251.6326 ?        ?        465.5109 9.216933 0.000000       9.216933 
1 1 1 -6  15 10 o 626.3741 11.02716 11520.94       405.0867 0.000000       0.000000 11520.94       405.0867 ?        ?        626.3741 11.02716 0.000000       11.02716 
1 1 1 -6  15 11 o 862.0164 17.14859 21865.71       866.9507 0.000000       0.000000 21865.71       866.9507 ?        ?        862.0164 17.14859 0.000000       17.14859 
1 1 1 -6  15 12 o 157.0228 34.35165 761.4141       307.5263 0.000000       0.000000 761.4141       307.5263 ?        ?        157.0228 34.35165 0.000000       34.35165 
1 1 1 -6  15 13 o 482.5707 14.60451 6854.202       412.8557 6647.386       611.8536 7027.077       559.3984 474.0945 22.06608 487.9064 19.58926 -13.81195      29.50679 
1 1 1 -6  15 14 o 745.0823 18.32678 16355.71       800.8309 17284.88       1195.927 15600.35       1078.280 763.4807 26.75023 725.6855 25.37472 37.79517       36.87074 
1 1 1 -6  15 15 o 79.94298 16.06696 194.8456       72.71352 188.1206       96.82457 203.5440       110.1182 78.44376 20.73543 81.70727 22.34222 -3.263512      30.48169 
1 1 1 -6  15 16 o 498.0468 10.03928 7286.523       293.2400 7484.085       634.7572 7232.920       330.6368 502.7146 21.57984 496.0896 11.36425 6.625031       24.38925 
1 1 1 -6  15 17 o 565.4092 10.67295 9395.337       353.9141 8695.456       692.5390 9642.727       411.7397 541.5984 21.84785 572.6014 12.26083 -31.00299      25.05307 
1 1 1 -6  15 18 o 444.5119 12.94656 5820.268       337.1516 5927.675       518.5149 5741.594       443.7717 447.2583 19.81673 440.7371 17.20141 6.521149       26.24102 
1 1 1 -6  15 19 o 478.9222 8.197251 6737.010       230.2416 7010.973       580.5327 6685.873       250.8106 486.0692 20.41012 477.0240 8.965100 9.045166       22.29229 
1 1 1 -6  15 20 f 446.9609 7.886071 5868.315       206.7192 5593.875       500.0875 5924.874       227.0230 433.9850 19.69947 449.0337 8.620657 -15.04871      21.50314 
1 1 1 -6  15 21 f 415.1864 7.519095 5063.863       183.0877 5405.440       486.9651 5007.629       197.5847 426.3526 19.52689 412.8092 8.161191 13.54340       21.16375 
1 1 1 -6  15 22 o 364.5764 7.193472 3904.769       153.8076 3665.167       406.6088 3944.778       166.1535 350.5529 19.85878 366.3871 7.732478 -15.83420      21.31108 
1 1 1 -6  15 23 o 393.8127 7.449780 4557.647       172.0615 4573.791       450.4618 4554.889       186.1783 391.5139 19.68137 393.6204 8.064937 -2.106476      21.26968 
1 1 1 -6  15 24 o 356.7757 7.202925 3740.865       150.7144 3236.405       391.0302 3828.880       163.3340 328.7160 20.38360 360.8894 7.717058 -32.17340      21.79550 
1 1 1 -6  15 25 o 188.4362 9.687739 1048.560       106.7031 0.000000       0.000000 1048.560       106.7031 ?        ?        188.4362 9.687739 0.000000       9.687739 
1 1 1 -6  15 26 o 516.7261 8.780176 7859.629       266.0811 7814.764       608.9872 7870.215       295.8105 510.6121 20.37697 516.8418 9.759005 -6.229736      22.59334 
1 1 1 -6  15 27 o 412.7360 8.835709 5015.407       213.8771 5422.398       475.8177 4912.356       239.4280 425.6320 19.11018 408.2444 10.00010 17.38757       21.56852 
1 1 1 -6  15 28 o 162.6084 8.411594 780.2502       79.94534 810.5193       287.2213 777.7082       83.23456 159.6767 31.78865 162.2975 8.777287 -2.620773      32.97816 
1 1 1 -6  15 29 o 343.6609 7.642957 3473.555       154.0430 3241.618       409.1564 3511.860       166.2776 328.0293 21.38456 345.4720 8.206734 -17.44278      22.90523 
1 1 1 -6  15 30 o 229.1151 9.186157 1548.515       123.1847 2256.975       390.9721 1470.435       129.7955 272.1103 24.77034 223.1396 9.943165 48.97064       26.69150 
1 1 1 -6  15 31 o 25.93535 12.78218 -148.7512      69.31300 -320.7219      311.9762 -139.8217      71.08974 65.40912 30.90956 27.00824 13.23728 38.40088       33.62479 
1 1 1 -6  15 32 o 120.3967 15.21664 437.6393       105.0488 346.0080       321.0225 448.6278       111.1693 109.2650 39.29528 121.7526 15.95216 -12.48759      42.40979 
1 1 1 -6  15 33 o 114.7581 11.20583 393.1410       74.45869 406.8052       100.3185 376.3798       111.1069 115.9388 15.11312 110.8118 17.69096 5.127037       23.26750 
1 1 1 -6  15 34 o 268.2744 7.051368 2120.135       110.8477 2094.182       151.4521 2150.078       162.6732 266.0803 9.721717 269.4675 10.31244 -3.387268      14.17245 
1 1 1 -6  15 35 f 199.7213 7.699748 1177.346       90.01958 1083.655       117.6339 1309.749       139.8404 191.0467 10.53971 209.8752 11.40396 -18.82858      15.52855 
1 1 1 -6  15 36 o 46.73525 18.90946 31.16730       80.37367 55.74044       113.7836 6.695841       113.5479 56.71267 22.65364 50.75435 21.64598 5.958321       31.33266 
1 1 1 -6  15 37 o 200.6104 8.370580 1191.167       98.26625 1213.743       137.1458 1167.349       140.8679 201.6391 11.64687 197.5595 12.21782 4.079651       16.87971 
1 1 1 -6  15 38 o 42.39136 18.10491 3.710292       79.63674 95.18285       120.7298 -66.74673      105.9574 62.50414 23.79292 41.56585 19.08242 20.93829       30.49987 
1 1 1 -6  15 39 o 106.8818 14.28839 351.4265       87.32323 403.2287       125.7815 303.2289       121.3263 112.4063 19.80306 96.32617 21.96515 16.08014       29.57412 
1 1 1 -6  15 40 o 57.88797 20.20438 98.19503       84.32836 186.1484       122.6798 19.41227       116.1080 75.55949 24.35051 51.52245 21.92830 24.03704       32.76885 
1 1 1 -6  15 41 o 71.72754 20.22917 168.6600       88.75919 284.0126       130.4884 69.33023       121.0871 91.43586 24.02530 57.91119 23.28813 33.52467       33.45971 
1 1 1 -6  15 42 o 28.72607 14.24373 -202.0047      90.86432 -76.56651      130.2854 -320.8007      126.7890 45.19430 20.89588 32.18847 16.09744 13.00583       26.37736 
1 1 1 -6  15 43 o 50.67001 20.31703 53.24902       91.87883 74.13251       138.7119 36.92454       122.6399 59.90091 24.61184 53.56985 22.65695 6.331055       33.45265 
1 1 1 -6  15 44 f 194.9821 9.726061 1146.923       110.8687 1261.819       164.9720 1052.290       149.7195 201.5435 14.04485 184.0292 13.97658 17.51433       19.81420 
1 1 1 -6  15 45 o 44.05939 19.33964 -1.994410      96.03107 1.996378       145.0105 -5.111696      128.1617 52.97468 23.48626 49.69024 22.05223 3.284435       32.21654 
1 1 1 -6  15 46 o 57.26122 22.03751 93.12593       104.3293 -16.90943      157.8268 178.5248       139.0403 52.94864 23.90791 71.56036 25.84455 -18.61172      35.20695 
1 1 1 -6  15 47 o 161.8847 12.56789 814.7781       118.3875 917.4775       178.0098 733.3271       158.5288 166.5280 18.54065 148.7117 18.58093 17.81625       26.24894 
1 1 1 -6  15 48 o 60.61370 23.58644 111.0191       120.4956 319.3000       202.4498 -3.240134      149.9472 87.47167 31.23530 52.29011 23.48328 35.18156       39.07824 
1 1 1 -6  15 49 o 47.35921 21.32149 -13.59359      124.4712 -178.7831      201.7381 87.94468       158.1655 49.04518 23.62828 60.87860 25.73823 -11.83343      34.93927 
1 1 1 -6  16 1  o 483.6452 14.75275 6880.997       417.9673 6880.997       417.9673 0.000000       0.000000 483.6452 14.75275 ?        ?        0.000000       14.75275 
1 1 1 -6  16 2  o 1019.371 25.06215 30669.71       1498.309 30669.71       1498.309 0.000000       0.000000 1019.371 25.06215 ?        ?        0.000000       25.06215 
1 1 1 -6  16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  16 4  o 168.3540 8.474553 833.8605       83.40497 0.000000       0.000000 833.8605       83.40497 ?        ?        168.3540 8.474553 0.000000       8.474553 
1 1 1 -6  16 5  f 631.1187 12.74785 11700.36       471.8443 0.000000       0.000000 11700.36       471.8443 ?        ?        631.1187 12.74785 0.000000       12.74785 
1 1 1 -6  16 6  o 163.5412 9.162296 787.4612       87.52700 0.000000       0.000000 787.4612       87.52700 ?        ?        163.5412 9.162296 0.000000       9.162296 
1 1 1 -6  16 7  o 280.7886 10.13724 2317.606       166.6618 0.000000       0.000000 2317.606       166.6618 ?        ?        280.7886 10.13724 0.000000       10.13724 
1 1 1 -6  16 8  o 436.6568 11.04548 5602.501       282.6355 0.000000       0.000000 5602.501       282.6355 ?        ?        436.6568 11.04548 0.000000       11.04548 
1 1 1 -6  16 9  o 534.2014 8.987651 8376.158       281.5799 8198.171       423.3611 8517.354       377.0744 527.9873 13.68369 538.4886 11.93988 -10.50128      18.16051 
1 1 1 -6  16 10 o 208.4238 7.759189 1276.547       94.67936 1120.268       122.2838 1510.454       149.6035 195.0248 10.73263 226.4988 11.29792 -31.47404      15.58308 
1 1 1 -6  16 11 o 721.8017 11.29389 15302.78       478.0924 15003.00       732.7892 15524.95       630.8532 713.8754 17.50274 726.5941 14.80423 -12.71869      22.92403 
1 1 1 -6  16 12 o 461.5437 8.002934 6252.072       216.6270 6302.938       341.2773 6217.748       280.3454 462.9516 12.58126 460.1380 10.38855 2.813568       16.31594 
1 1 1 -6  16 13 o 461.2669 10.91481 6249.915       295.2697 6809.825       375.5439 5343.394       477.8491 481.0996 13.32274 425.3110 19.20683 55.78860       23.37515 
1 1 1 -6  16 14 o 282.4072 6.884066 2340.457       114.0174 2171.653       154.2365 2543.854       169.3048 271.7596 9.692773 294.1441 9.828086 -22.38455      13.80366 
1 1 1 -6  16 15 o 284.0357 6.796490 2367.686       113.2161 2327.695       159.7421 2408.050       160.4839 281.3407 9.695847 286.1712 9.575626 -4.830505      13.62725 
1 1 1 -6  16 16 o 261.3703 8.104902 2007.776       124.0879 2086.576       144.5995 1787.617       241.6979 266.3636 9.270516 245.6393 16.88001 20.72426       19.25817 
1 1 1 -6  16 17 o 116.4070 10.81809 401.7934       73.00982 454.3370       97.67472 335.2647       109.9073 123.4671 13.72045 105.0120 18.52260 18.45512       23.05076 
1 1 1 -6  16 18 o 536.3466 8.123782 8449.255       255.5373 8323.077       356.3096 8582.886       366.6823 531.9045 11.42203 540.1190 11.57577 -8.214478      16.26226 
1 1 1 -6  16 19 o 297.5319 6.351303 2598.815       110.8273 2638.498       156.2117 2558.597       157.2606 299.5013 8.903213 294.9068 9.103428 4.594513       12.73340 
1 1 1 -6  16 20 o 322.3260 6.155572 3050.187       116.3628 2967.138       160.1114 3143.156       169.4054 317.6126 8.603478 326.8764 8.844891 -9.263824      12.33904 
1 1 1 -6  16 21 o 88.89963 12.48323 237.4961       63.29377 203.8640       87.27130 274.8165       91.93230 81.29034 18.69578 94.90523 17.14781 -13.61488      25.36887 
1 1 1 -6  16 22 o 407.2823 8.866260 4878.934       211.7808 4653.709       463.8861 4938.237       238.0349 394.8244 20.09963 409.5961 9.909101 -14.77164      22.40950 
1 1 1 -6  16 23 o 530.4179 8.751809 8276.612       272.2491 8691.428       675.4619 8196.152       297.4831 538.8523 21.41640 527.6587 9.612994 11.19360       23.47492 
1 1 1 -6  16 24 o 105.0516 18.02002 337.3046       107.0266 109.0358       279.7375 376.4485       115.8402 86.20913 35.13094 111.0265 18.43664 -24.81732      39.67483 
1 1 1 -6  16 25 o 265.5909 8.265877 2077.401       128.5948 1859.861       316.4135 2120.441       140.7424 248.0104 21.98116 268.2303 8.959352 -20.21992      23.73692 
1 1 1 -6  16 26 f 239.9811 7.279600 1694.923       102.3370 1690.973       329.2262 1695.345       107.6708 235.5063 24.17949 239.9644 7.660504 -4.458115      25.36397 
1 1 1 -6  16 27 o 341.4442 7.310615 3428.145       146.3943 3356.262       385.3691 3440.268       158.2580 334.4121 19.73694 341.9695 7.890923 -7.557343      21.25591 
1 1 1 -6  16 28 o 302.2897 7.407549 2687.114       131.3253 2797.937       380.6527 2672.141       139.9158 304.6268 21.44341 301.2821 7.925379 3.344635       22.86114 
1 1 1 -6  16 29 o 276.9366 7.780280 2257.682       126.2396 2545.529       397.8227 2225.452       133.1197 289.6480 23.62400 274.8825 8.266816 14.76547       25.02866 
1 1 1 -6  16 30 o 385.0231 7.946381 4361.796       179.4348 4551.016       491.1616 4332.652       192.7585 388.5372 21.64016 383.6293 8.567442 4.907928       23.27440 
1 1 1 -6  16 31 o 109.5963 12.74996 360.2500       80.42294 305.4759       324.8363 363.8266       83.00717 106.0200 39.30630 110.0755 13.11570 -4.055595      41.43679 
1 1 1 -6  16 32 o 347.8267 10.23611 3575.066       208.5814 0.000000       0.000000 3575.066       208.5814 ?        ?        347.8267 10.23611 0.000000       10.23611 
1 1 1 -6  16 33 o 125.0282 15.26811 472.9356       109.6354 -76.41196      317.7171 547.1911       116.8103 76.98426 34.40719 134.6674 15.04685 -57.68316      37.55346 
1 1 1 -6  16 34 o 135.0798 9.996466 542.3462       78.63193 504.9310       101.6374 598.1281       124.1012 129.5629 13.57729 140.6897 15.28595 -11.12677      20.44512 
1 1 1 -6  16 35 o 263.1421 7.287749 2041.692       112.3611 2044.677       152.8466 2038.183       165.7405 262.7170 9.938043 262.0567 10.80726 0.6603088      14.68202 
1 1 1 -6  16 36 o 205.4465 8.406632 1248.638       101.0771 1303.487       141.2670 1191.105       144.6835 209.1115 11.56396 199.6140 12.42037 9.497513       16.97029 
1 1 1 -6  16 37 o 169.1635 9.523399 850.7574       94.10049 1054.549       131.3019 635.5522       134.9286 187.6794 11.99172 144.1586 16.24161 43.52083       20.18889 
1 1 1 -6  16 38 f 114.4029 13.06443 398.0605       86.08569 445.1824       125.7258 356.4695       118.1172 119.0228 18.62115 105.8167 19.75955 13.20618       27.15119 
1 1 1 -6  16 39 o 127.4049 11.74574 491.2216       86.77682 571.8963       119.7368 401.9715       125.9400 136.1746 15.25463 111.9209 19.91686 24.25369       25.08755 
1 1 1 -6  16 40 o 74.86870 19.43419 182.9009       86.06936 150.3633       124.6650 212.5361       118.9751 69.74632 24.54908 79.77937 23.70178 -10.03305      34.12377 
1 1 1 -6  16 41 o 177.7534 9.772194 948.2059       101.4814 1093.949       142.4186 797.8810       144.6400 189.3970 12.89860 160.1814 15.59379 29.21561       20.23710 
1 1 1 -6  16 42 o 64.24382 21.09819 133.0128       91.86587 233.5841       137.9528 52.87844       123.1411 81.94450 25.75563 55.66795 23.06189 26.27655       34.57171 
1 1 1 -6  16 43 o 106.5994 16.10593 362.3868       97.55398 340.8755       150.3145 378.0408       128.2274 97.63559 25.84847 105.8794 21.38710 -8.243843      33.54924 
1 1 1 -6  16 44 o 72.87069 20.61470 180.5354       92.02971 60.52066       141.7393 268.0063       121.0054 58.28368 24.48751 87.40890 23.21554 -29.12522      33.74314 
1 1 1 -6  16 45 o 66.84854 21.55071 151.8740       96.08496 100.2515       138.6351 199.5938       133.2917 61.80891 24.89645 74.93693 25.43063 -13.12802      35.58863 
1 1 1 -6  16 46 o 68.15940 22.85362 160.6979       107.6475 8.757383       163.6081 276.6879       142.9481 55.58692 24.77747 86.02483 26.07783 -30.43790      35.97188 
1 1 1 -6  16 47 o 140.2482 15.43819 631.6585       124.8848 987.3929       211.0806 440.0720       154.9058 168.9143 21.81645 109.6128 24.69141 59.30150       32.94880 
1 1 1 -6  16 48 o 34.84749 17.13120 -208.1019      121.9342 -56.69209      214.1267 -280.7612      148.3336 56.70577 26.41302 36.89463 18.27732 19.81114       32.12022 
1 1 1 -6  17 1  f 343.4209 16.38923 3476.436       329.1399 3476.436       329.1399 0.000000       0.000000 343.4209 16.38923 ?        ?        0.000000       16.38923 
1 1 1 -6  17 2  o 479.1600 15.95541 6758.956       447.7473 6758.956       447.7473 0.000000       0.000000 479.1600 15.95541 ?        ?        0.000000       15.95541 
1 1 1 -6  17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  17 5  o 343.7341 11.79799 3474.294       237.4854 0.000000       0.000000 3474.294       237.4854 ?        ?        343.7341 11.79799 0.000000       11.79799 
1 1 1 -6  17 6  o 473.6811 9.189892 6586.009       255.2977 6585.772       353.9218 6586.265       368.6174 473.2843 12.76237 473.2492 13.29432 0.3515625E-01  18.42870 
1 1 1 -6  17 7  o 711.0560 11.13570 14848.29       464.3780 14685.34       720.5460 14964.06       607.3314 706.3855 17.39280 713.4506 14.51481 -7.065063      22.65368 
1 1 1 -6  17 8  o 513.3203 8.964649 7734.484       269.8810 7989.634       422.9983 7559.315       350.4854 521.1747 13.85128 507.2900 11.78048 13.88470       18.18344 
1 1 1 -6  17 9  o 295.7501 7.147271 2566.594       123.9698 2604.164       173.4489 2527.357       177.2524 297.6492 9.950092 293.1948 10.32438 4.454437       14.33866 
1 1 1 -6  17 10 o 357.3053 7.418906 3746.466       155.4640 3804.168       230.2040 3698.084       210.7945 359.7255 10.92433 354.7320 10.14272 4.993469       14.90690 
1 1 1 -6  17 11 o 408.6457 7.765519 4901.004       186.1092 4862.901       276.6629 4932.497       251.5256 406.6750 11.61175 409.6800 10.47716 -3.004944      15.63981 
1 1 1 -6  17 12 o 564.3766 21.88079 9422.555       722.8679 0.000000       0.000000 9422.555       722.8679 ?        ?        564.3766 21.88079 0.000000       21.88079 
1 1 1 -6  17 13 o 410.9863 7.788273 4958.145       187.7237 4957.120       281.8621 4958.962       251.6603 410.5128 11.71937 410.7196 10.45616 -0.2067871     15.70588 
1 1 1 -6  17 14 o 619.3239 11.20712 11273.88       407.0638 10566.16       524.1840 12349.10       646.0969 599.0284 14.92058 646.9713 17.04278 -47.94293      22.65128 
1 1 1 -6  17 15 o 462.1828 13.99543 6294.829       378.9220 7095.421       624.6132 5828.611       476.6502 489.0416 21.83288 443.9301 18.34728 45.11151       28.51837 
1 1 1 -6  17 16 o 421.8724 7.318703 5225.285       181.0780 5170.678       257.1447 5278.999       255.0344 419.3976 10.45445 423.7870 10.26126 -4.389404      14.64885 
1 1 1 -6  17 17 o 107.4565 11.19503 343.3103       69.51854 433.9816       92.61205 226.2753       105.2182 120.6642 13.30772 85.68686 21.08377 34.97730       24.93232 
1 1 1 -6  17 18 o 268.8622 6.410025 2122.184       101.0741 2172.641       144.3035 2073.589       141.6152 271.7322 9.067635 265.4544 9.109896 6.277771       12.85349 
1 1 1 -6  17 19 o 240.8444 6.624289 1704.591       93.47894 1731.156       136.2480 1680.965       128.4911 242.4329 9.601693 238.9324 9.186655 3.500473       13.28861 
1 1 1 -6  17 20 o 179.0996 7.168059 943.8071       75.13955 952.0743       103.2897 934.5141       109.5096 179.6158 9.842953 177.8627 10.54557 1.753036       14.42542 
1 1 1 -6  17 21 o 265.5341 6.231612 2070.655       97.04459 2095.715       136.8834 2045.331       137.6030 266.8002 8.759982 263.5511 8.915348 3.249115       12.49883 
1 1 1 -6  17 22 o 188.5335 8.044770 1047.010       88.74691 954.8350       106.3769 1258.045       160.9604 179.7830 10.12998 205.9323 13.40012 -26.14932      16.79821 
1 1 1 -6  17 23 o 54.27412 16.30578 88.26413       56.06779 64.91492       76.45516 115.4314       82.46965 52.03783 19.10845 62.69223 19.94058 -10.65439      27.61810 
1 1 1 -6  17 24 o 152.3413 10.76717 687.7509       95.57906 479.3159       293.7290 712.4346       101.0802 122.8355 37.41109 154.9995 11.19492 -32.16408      39.05017 
1 1 1 -6  17 25 o 153.3983 8.595679 694.7758       77.02126 314.5707       287.6125 724.1484       79.94104 105.0983 37.26103 156.5995 8.738863 -51.50121      38.27208 
1 1 1 -6  17 26 o 315.2819 7.292351 2922.906       134.8395 2681.443       377.8312 2958.147       144.3444 298.0202 21.76742 317.1190 7.761170 -19.09879      23.10966 
1 1 1 -6  17 27 o 468.0287 8.440020 6446.952       231.6682 7471.135       619.0092 6280.131       249.8241 498.5961 21.21737 461.7696 9.224833 36.82654       23.13600 
1 1 1 -6  17 28 o 197.0233 8.505263 1144.606       98.04642 993.4546       369.6034 1156.047       101.6897 175.1528 37.13446 197.9718 8.780209 -22.81900      38.15835 
1 1 1 -6  17 29 o 441.0882 8.425390 5726.574       217.9546 6529.458       582.9816 5596.118       234.9954 465.8289 21.39633 435.8803 9.192669 29.94861       23.28751 
1 1 1 -6  17 30 f 30.80497 14.58410 -82.22779      70.06109 106.1104       325.9406 -91.35125      71.73797 90.41176 37.49348 30.58272 14.55894 59.82904       40.22094 
1 1 1 -6  17 31 o 169.6168 9.142186 850.5125       90.60698 354.4071       349.8242 886.1868       93.80814 111.4768 40.88401 173.1277 9.272799 -61.65089      41.92240 
1 1 1 -6  17 32 o 201.2454 8.561985 1195.977       100.8225 1094.557       381.2816 1203.601       104.5438 181.8907 37.00338 201.8383 8.853230 -19.94765      38.04773 
1 1 1 -6  17 33 o 164.3698 9.514831 800.5793       91.32997 756.6124       358.7810 803.6257       94.44105 148.6166 40.20029 164.6265 9.826326 -16.00996      41.38381 
1 1 1 -6  17 34 o 106.0543 12.54659 338.7620       76.52821 378.4402       99.50148 281.2993       119.7421 111.4096 15.66015 94.19506 22.06471 17.21457       27.05720 
1 1 1 -6  17 35 o 373.8658 7.457122 4120.566       163.5075 4032.626       223.9160 4221.022       239.3209 368.8066 10.36255 377.1399 10.83123 -8.333313      14.98993 
1 1 1 -6  17 36 o 239.8052 7.913594 1699.789       111.1444 1783.049       155.2815 1612.325       159.1539 244.7712 10.84397 232.4483 11.71229 12.32294       15.96150 
1 1 1 -6  17 37 o 114.4565 12.77274 397.0197       84.27875 206.0799       110.7094 660.1776       129.9704 79.93282 22.60946 147.0500 15.29371 -67.11717      27.29625 
1 1 1 -6  17 38 o 188.1528 8.951370 1053.830       98.49258 1105.635       140.2027 1003.352       138.3941 191.3698 12.56146 182.0593 13.04798 9.310547       18.11188 
1 1 1 -6  17 39 o 207.1809 8.413128 1277.246       102.0125 1259.501       137.7579 1298.792       151.7967 204.4351 11.53656 207.0979 12.55687 -2.662842      17.05190 
1 1 1 -6  17 40 o 209.4774 8.783223 1309.383       107.6656 1495.315       151.1546 1117.899       153.3944 222.4612 11.62590 191.1093 13.77851 31.35187       18.02800 
1 1 1 -6  17 41 o 32.08831 15.55538 -138.3882      90.86433 -154.3214      134.0483 -124.8439      123.5909 41.00916 19.62625 40.58001 19.25818 0.4291458      27.49668 
1 1 1 -6  17 42 o 60.56307 21.22509 113.5315       93.12209 29.54149       131.8353 197.1637       131.5542 54.24489 23.23404 75.89643 25.26059 -21.65154      34.32081 
1 1 1 -6  17 43 o 68.00746 21.11134 155.1224       92.98917 206.5401       142.5971 117.0793       122.6571 76.92907 26.29969 63.20274 24.00016 13.72633       35.60451 
1 1 1 -6  17 44 o 34.21729 16.28115 -95.53671      89.48991 -119.4953      135.9660 -77.22541      118.8663 42.72786 20.25468 42.16212 19.65232 0.5657425      28.22172 
1 1 1 -6  17 45 o 92.60822 19.34382 289.8787       101.6674 346.5942       147.9318 239.1125       139.9580 96.93076 25.63388 80.56741 26.01273 16.36335       36.52065 
1 1 1 -6  17 46 o 162.5381 13.03405 824.2831       123.2062 707.5442       189.9824 909.0160       161.8571 141.2939 23.76954 167.6172 16.68645 -26.32330      29.04185 
1 1 1 -6  17 47 o 48.66252 21.57417 2.471219       122.3558 123.9067       218.5444 -52.97136      147.6688 68.92285 29.72248 48.31516 22.30598 20.60769       37.16158 
1 1 1 -6  17 48 o 45.47289 20.77600 -35.43443      123.6002 68.21460       209.8557 -90.48714      152.9423 63.80648 28.27290 46.56576 21.89297 17.24072       35.75834 
1 1 1 -6  18 1  o 570.9801 12.31955 9577.440       412.5402 0.000000       0.000000 9577.440       412.5402 ?        ?        570.9801 12.31955 0.000000       12.31955 
1 1 1 -6  18 2  o 474.7116 16.23755 6636.773       451.3996 6636.773       451.3996 0.000000       0.000000 474.7116 16.23755 ?        ?        0.000000       16.23755 
1 1 1 -6  18 3  o 489.9016 17.37513 7072.400       498.4244 7072.400       498.4244 0.000000       0.000000 489.9016 17.37513 ?        ?        0.000000       17.37513 
1 1 1 -6  18 4  o 504.6156 17.88565 7505.661       528.4800 7505.661       528.4800 0.000000       0.000000 504.6156 17.88565 ?        ?        0.000000       17.88565 
1 1 1 -6  18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  18 6  o 363.8684 8.031394 3885.707       171.3901 4073.458       244.5077 3704.346       240.3112 372.2408 11.21278 354.9302 11.56006 17.31055       16.10471 
1 1 1 -6  18 7  o 741.4645 12.95953 16157.31       563.5469 16654.55       825.5012 15723.31       771.2166 751.8787 18.72058 730.6840 17.99684 21.19476       25.96818 
1 1 1 -6  18 8  o 432.6827 7.969702 5494.625       202.2377 5787.775       318.8634 5297.338       261.5825 443.6422 12.26700 424.7077 10.50190 18.93445       16.14835 
1 1 1 -6  18 9  o 124.1390 10.23027 455.6288       73.82063 481.0855       95.73645 418.2964       115.9360 127.2737 13.00867 117.9533 17.27103 9.320427       21.62207 
1 1 1 -6  18 10 o 170.5123 8.290547 855.4800       82.65816 710.9648       104.9453 1091.631       134.1533 155.1170 11.62040 192.3640 11.95025 -37.24701      16.66860 
1 1 1 -6  18 11 o 547.1375 9.077264 8790.343       291.2742 9143.305       474.0572 8576.277       369.1816 557.2357 14.51815 540.1959 11.65301 17.03979       18.61637 
1 1 1 -6  18 12 o 522.4080 8.990762 8014.455       275.4589 7624.479       392.7858 8391.869       386.4080 508.9459 13.17039 534.2238 12.33310 -25.27786      18.04341 
1 1 1 -6  18 13 o 451.4127 19.09342 6028.824       504.3432 0.000000       0.000000 6028.824       504.3432 ?        ?        451.4127 19.09342 0.000000       19.09342 
1 1 1 -6  18 14 o 407.1912 7.917642 4868.581       189.0796 4901.240       283.8701 4842.536       253.4980 408.0407 11.87484 405.7396 10.66236 2.301086       15.95925 
1 1 1 -6  18 15 o 378.6578 7.557289 4210.149       167.8276 4221.894       252.5010 4200.855       224.6253 378.6940 11.38197 377.9012 10.14432 0.7927856      15.24652 
1 1 1 -6  18 16 o 115.0698 27.67254 411.4971       184.4514 0.000000       0.000000 411.4971       184.4514 ?        ?        115.0698 27.67254 0.000000       27.67254 
1 1 1 -6  18 17 o 361.0101 6.816242 3826.854       144.3161 3755.279       204.1542 3898.344       204.0335 357.2354 9.753488 364.0054 9.565763 -6.770050      13.66142 
1 1 1 -6  18 18 o 717.3186 10.19392 15138.76       428.8484 15260.64       611.1187 15020.51       601.9517 718.9813 14.49297 713.3364 14.38854 5.644958       20.42245 
1 1 1 -6  18 19 o 429.8281 7.178259 5427.533       180.9524 5242.598       252.6141 5622.431       259.3287 422.0490 10.20573 437.0846 10.11660 -15.03561      14.37020 
1 1 1 -6  18 20 o 179.1671 7.429317 944.9307       77.89587 866.9979       109.5175 1024.724       110.8168 171.2069 10.96480 186.2899 10.18169 -15.08301      14.96308 
1 1 1 -6  18 21 o 261.3672 6.610863 2008.121       101.2537 2007.721       143.4659 2008.518       142.9245 261.0163 9.387248 261.0733 9.349655 -0.5700684E-01 13.24902 
1 1 1 -6  18 22 o 491.1899 7.683593 7093.861       221.3422 7117.987       317.9254 7071.168       308.3448 491.3270 11.03326 489.7805 10.73457 1.546570       15.39363 
1 1 1 -6  18 23 o 212.2196 6.735148 1324.900       83.72070 1158.592       114.8505 1513.477       122.2980 198.0535 9.919378 226.5299 9.224713 -28.47635      13.54583 
1 1 1 -6  18 24 o 155.8415 7.986661 716.3418       72.75249 671.2408       99.86163 767.3559       106.2064 150.3759 11.40834 160.8510 11.33089 -10.47508      16.07915 
1 1 1 -6  18 25 o 430.8883 7.298296 5459.421       184.4322 5413.606       260.1165 5505.740       261.5422 428.4805 10.35110 432.1183 10.32021 -3.637817      14.61684 
1 1 1 -6  18 26 o 139.6715 12.63151 581.3370       102.3525 705.8901       361.5454 570.4850       106.7182 146.5698 40.64382 138.2253 13.32951 8.344513       42.77377 
1 1 1 -6  18 27 o 404.6339 8.131162 4817.374       192.9592 4892.927       525.4044 4805.594       207.4565 402.8122 22.32765 404.0305 8.755123 -1.218323      23.98283 
1 1 1 -6  18 28 o 189.3905 8.796183 1058.308       97.43504 1566.238       440.0518 1032.123       99.91501 221.9640 34.95936 186.9819 9.138991 34.98218       36.13416 
1 1 1 -6  18 29 o 173.3415 9.166446 887.6505       92.85548 370.3611       386.5770 919.3232       95.65594 115.6105 42.87609 176.3995 9.278848 -60.78899      43.86863 
1 1 1 -6  18 30 o 368.9308 7.993643 4006.923       172.9578 3934.761       474.3074 4017.990       185.7478 360.0794 22.57364 369.3311 8.575457 -9.251617      24.14762 
1 1 1 -6  18 31 o 140.7515 10.69794 588.7651       87.64730 518.6946       373.5057 592.8485       90.16496 126.5532 42.57105 141.1926 10.97481 -14.63934      43.96295 
1 1 1 -6  18 32 o 367.3280 8.109005 3976.781       174.6917 3737.956       469.7301 4015.114       188.1898 349.2545 23.06181 368.9539 8.697081 -19.69946      24.64724 
1 1 1 -6  18 33 o 104.4496 19.30325 339.4986       113.8917 0.000000       0.000000 339.4986       113.8917 ?        ?        104.4496 19.30325 0.000000       19.30325 
1 1 1 -6  18 34 o 245.5994 7.489925 1779.476       107.7575 1643.839       143.2074 1956.504       163.6060 235.3831 10.39951 256.6923 10.89241 -21.30920      15.05970 
1 1 1 -6  18 35 o 195.0373 8.796438 1126.690       100.3589 1023.613       136.0696 1249.653       148.6168 184.8957 12.62400 204.4279 12.45498 -19.53218      17.73392 
1 1 1 -6  18 36 o 46.73487 18.92081 32.49021       80.52570 -28.22341      112.4074 96.49417       115.4132 46.59837 20.66774 62.16651 23.35287 -15.56814      31.18513 
1 1 1 -6  18 37 o 245.4625 7.794574 1784.605       112.0669 1780.851       154.0392 1788.827       163.3427 244.0957 10.78685 244.3605 11.42939 -0.2648315     15.71582 
1 1 1 -6  18 38 o 106.6381 14.56986 351.5022       88.74046 246.6470       127.1185 451.1758       123.9379 85.94955 24.19804 119.4526 18.27103 -33.50309      30.32121 
1 1 1 -6  18 39 o 157.7791 10.33281 748.3654       95.08720 770.8588       133.7953 725.4099       135.1624 158.2601 14.57887 153.1509 15.25073 5.109222       21.09806 
1 1 1 -6  18 40 o 36.33845 16.86062 -62.99937      85.94910 75.22011       125.7498 -184.1825      117.7454 59.12616 23.74770 36.02907 17.52149 23.09708       29.51196 
1 1 1 -6  18 41 o 77.31769 20.83141 200.5411       96.57043 287.4347       135.6557 111.2616       137.5055 90.76477 24.78942 64.44871 25.16269 26.31606       35.32246 
1 1 1 -6  18 42 o 42.39352 18.80306 -14.58460      93.04288 47.20375       136.8528 -67.69380      126.8777 56.63826 23.94326 44.78922 20.67743 11.84904       31.63599 
1 1 1 -6  18 43 o 43.27161 18.95281 -2.393512      91.78139 7.577076       138.2001 -10.26115      122.7637 52.68302 23.16021 48.50483 21.55129 4.178192       31.63627 
1 1 1 -6  18 44 o 37.39709 17.53212 -75.99024      96.87764 23.00274       142.5961 -160.8501      132.0251 54.32228 23.71206 39.53992 19.06545 14.78236       30.42620 
1 1 1 -6  18 45 o 70.63345 22.44483 174.6283       104.5054 134.9530       157.8670 205.5777       139.4300 66.85488 26.69070 75.31139 25.99680 -8.456512      37.25891 
1 1 1 -6  18 46 o 177.4591 12.07851 975.3818       124.9585 924.0342       189.1907 1015.116       166.4260 165.5039 19.88938 177.4085 16.17309 -11.90457      25.63506 
1 1 1 -6  18 47 o 85.57531 24.32017 272.0261       127.7911 87.21806       209.0867 382.2263       161.4571 65.35181 28.61546 99.40017 27.00161 -34.04836      39.34376 
1 1 1 -6  19 1  o 287.9813 16.40698 2448.409       275.9579 2448.409       275.9579 0.000000       0.000000 287.9813 16.40698 ?        ?        0.000000       16.40698 
1 1 1 -6  19 2  o 66.99187 30.09428 -115.7088      246.4502 -115.7088      246.4502 0.000000       0.000000 66.99187 30.09428 ?        ?        0.000000       30.09428 
1 1 1 -6  19 3  o 222.1225 7.797174 1449.754       101.4159 1463.286       124.2172 1422.700       175.6333 223.0470 9.517753 219.5637 13.70780 3.483307       16.68806 
1 1 1 -6  19 4  o 942.6992 13.35656 26123.10       738.4453 25717.76       890.3910 27016.20       1321.649 934.8127 16.24073 956.2229 23.56712 -21.41022      28.62115 
1 1 1 -6  19 5  o 488.6270 10.27051 7011.553       294.3202 7011.553       294.3202 0.000000       0.000000 488.6270 10.27051 ?        ?        0.000000       10.27051 
1 1 1 -6  19 6  o 325.0838 7.574202 3101.484       144.4052 3124.187       194.2583 3073.445       215.8897 326.0055 10.17270 323.2421 11.40603 2.763397       15.28337 
1 1 1 -6  19 7  o 534.4174 9.883629 8387.250       309.7758 8425.863       434.5424 8347.351       441.7241 535.0891 13.85866 532.5477 14.15557 2.541382       19.81017 
1 1 1 -6  19 8  o 420.6905 7.850673 5194.826       193.6957 5373.481       297.5924 5063.509       255.1367 427.4295 11.88307 415.0481 10.48992 12.38144       15.85073 
1 1 1 -6  19 9  o 508.5164 8.731446 7592.625       260.4004 7636.455       399.5521 7560.261       343.3322 509.3638 13.38664 507.1867 11.54240 2.177094       17.67566 
1 1 1 -6  19 10 o 64.69842 17.40891 127.5977       67.49792 133.3166       86.57165 118.7314       107.7928 66.98619 20.29154 66.41234 22.86072 0.5738525      30.56729 
1 1 1 -6  19 11 o 146.6564 10.50290 635.2776       89.73787 650.9202       93.41712 448.3467       322.9335 148.4293 10.80540 122.9643 39.49617 25.46494       40.94757 
1 1 1 -6  19 12 o 421.1862 19.07522 5252.328       469.9651 0.000000       0.000000 5252.328       469.9651 ?        ?        421.1862 19.07522 0.000000       19.07522 
1 1 1 -6  19 13 o 431.7209 7.876497 5473.197       199.4282 5404.344       296.1323 5530.340       269.7750 428.4597 11.79611 433.7195 10.60577 -5.259735      15.86287 
1 1 1 -6  19 14 o 119.5808 11.31957 424.3773       78.44064 366.9996       103.0920 503.2689       120.8839 110.3237 16.43409 129.5872 16.26305 -19.26347      23.12068 
1 1 1 -6  19 15 o 283.8137 7.733522 2367.640       128.6045 2209.466       163.7576 2622.185       207.7377 273.9164 10.21161 298.2243 11.90131 -24.30792      15.68178 
1 1 1 -6  19 16 o 195.8371 9.504870 1130.315       108.8411 1293.039       128.1396 708.8118       206.2330 209.3853 10.46805 152.4498 23.84740 56.93555       26.04378 
1 1 1 -6  19 17 o 290.2321 6.831285 2473.893       116.2782 2311.534       159.8209 2656.490       169.4892 280.1562 9.741912 300.3708 9.633757 -20.21469      13.70088 
1 1 1 -6  19 18 o 507.6080 7.880559 7572.705       234.6043 7609.124       337.2974 7538.575       326.5260 508.2231 11.31639 505.9250 11.00477 2.298157       15.78499 
1 1 1 -6  19 19 o 304.6280 7.358284 2726.949       131.4610 2711.731       168.7628 2750.435       209.6458 303.4172 9.495570 305.2192 11.73366 -1.802032      15.09452 
1 1 1 -6  19 20 o 623.5071 9.086512 11439.55       332.2685 11206.09       462.6134 11688.32       477.5391 616.0623 12.80392 629.1314 12.94247 -13.06909      18.20571 
1 1 1 -6  19 21 o 361.8745 6.768384 3848.080       143.6460 3875.734       206.1530 3821.983       200.2671 362.6455 9.701682 360.1591 9.489498 2.486389       13.57104 
1 1 1 -6  19 22 o 592.6479 8.763028 10337.98       304.5800 10229.15       430.7092 10446.84       430.7733 588.3933 12.48148 594.6677 12.35162 -6.274353      17.55989 
1 1 1 -6  19 23 o 490.9716 7.829551 7090.622       225.4466 7192.640       325.5962 6996.665       312.4682 493.6766 11.24569 486.9879 10.94050 6.688690       15.68949 
1 1 1 -6  19 24 o 156.0951 8.595020 719.3729       78.38034 706.7460       112.8183 731.1541       108.9747 154.1145 12.59170 156.8841 11.93347 -2.769592      17.34816 
1 1 1 -6  19 25 o 176.1536 8.387584 915.2698       86.40313 787.3007       121.2271 1047.398       123.1813 162.6770 12.80969 188.0550 11.21989 -25.37794      17.02863 
1 1 1 -6  19 26 o 290.0477 7.153089 2473.402       121.6784 2234.759       163.8447 2766.875       181.6949 275.1490 10.17096 306.2062 10.13157 -31.05719      14.35608 
1 1 1 -6  19 27 o 490.0764 8.192250 7067.365       235.4602 7163.741       336.4740 6974.879       329.6140 492.5344 11.64835 486.0232 11.56374 6.511230       16.41353 
1 1 1 -6  19 28 o 410.5494 8.299292 4961.176       199.8283 5890.390       582.7407 4837.352       212.7263 441.5462 22.57839 405.2696 8.950074 36.27658       24.28760 
1 1 1 -6  19 29 o 264.5419 8.037876 2062.010       124.5610 1905.868       441.7006 2075.500       129.8304 246.1709 31.30114 265.3560 8.352917 -19.18510      32.39650 
1 1 1 -6  19 30 o 335.6984 8.025700 3318.691       158.0093 3421.316       485.1949 3306.516       167.1196 333.9460 24.95404 334.8860 8.515933 -0.9400024     26.36713 
1 1 1 -6  19 31 o 60.41754 19.09946 108.8599       75.75988 -56.48548      384.6510 115.5329       77.27351 85.68395 38.10466 61.95131 19.24706 23.73265       42.68974 
1 1 1 -6  19 32 o 390.2329 8.187212 4490.150       187.3745 4634.772       516.2574 4468.209       201.0867 388.7820 22.74102 389.1090 8.811736 -0.3270264     24.38854 
1 1 1 -6  19 33 o 60.61176 23.06865 83.88543       113.4795 0.000000       0.000000 83.88543       113.4795 ?        ?        60.61176 23.06865 0.000000       23.06865 
1 1 1 -6  19 34 o 101.7519 14.04454 315.0106       81.57816 389.8549       420.3257 312.0810       83.15943 114.1013 44.14825 101.1715 14.42323 12.92983       46.44457 
1 1 1 -6  19 35 o 275.4587 7.519605 2241.066       121.3656 2267.600       166.9768 2211.348       176.7102 276.2140 10.32584 272.4853 11.08090 3.728729       15.14626 
1 1 1 -6  19 36 o 203.8233 8.304634 1231.924       99.06365 1164.692       133.6482 1313.903       147.5798 197.1263 11.61171 209.2300 12.07820 -12.10370      16.75454 
1 1 1 -6  19 37 o 132.0165 11.33382 525.5632       86.90322 320.6714       118.0659 767.8186       128.3805 99.42651 20.91157 158.7180 13.93308 -59.29150      25.12816 
1 1 1 -6  19 38 o 182.4123 9.316554 994.1766       99.33886 984.4841       142.4562 1003.351       138.5960 179.6441 13.62284 181.6288 13.09914 -1.984695      18.89892 
1 1 1 -6  19 39 o 152.3885 10.99696 701.4133       97.62125 762.2466       138.7995 641.8640       137.3269 156.8288 15.28449 143.0739 16.67849 13.75494       22.62272 
1 1 1 -6  19 40 o 139.9040 11.82239 596.2197       96.09602 804.7827       141.3922 417.1819       131.0023 160.8531 15.16710 112.5876 20.59867 48.26553       25.58019 
1 1 1 -6  19 41 o 63.38096 21.18738 129.4203       92.53125 262.8086       136.7801 16.86489       125.6457 86.24359 25.35990 51.95662 22.47168 34.28697       33.88364 
1 1 1 -6  19 42 o 50.08288 20.33226 48.93859       93.28302 86.58913       135.5615 15.07627       128.5610 60.58862 24.54220 51.99232 22.60746 8.596291       33.36790 
1 1 1 -6  19 43 o 178.9890 10.39688 973.2188       108.6692 1028.869       156.9828 922.0161       150.5800 180.7916 14.93872 170.9047 15.18100 9.886826       21.29855 
1 1 1 -6  19 44 o 68.35737 22.25723 161.1049       102.3382 305.9930       148.3410 29.51998       141.3669 90.47278 26.35652 54.53716 23.71043 35.93562       35.45209 
1 1 1 -6  19 45 o 73.51777 22.71694 191.9002       107.8140 195.8187       160.0324 188.6436       145.8910 73.94990 27.55590 72.76546 26.44634 1.184441       38.19341 
1 1 1 -6  19 46 o 41.80552 19.50431 -70.67846      117.5222 -180.0279      184.5873 3.862510       152.4022 46.89773 22.59571 53.20609 23.80132 -6.308357      32.81873 
1 1 1 -6  19 47 o 128.4930 18.90218 556.5032       138.1904 735.5380       228.4043 453.1238       173.5611 136.3418 29.42818 108.0098 27.37001 28.33203       40.18875 
1 1 1 -6  20 1  o 182.8465 22.20618 1001.866       233.2525 1001.866       233.2525 0.000000       0.000000 182.8465 22.20618 ?        ?        0.000000       22.20618 
1 1 1 -6  20 2  o 534.5590 9.900771 8391.959       310.3953 8190.355       419.7618 8635.195       461.0710 527.5778 13.57772 541.5897 14.52912 -14.01196      19.88592 
1 1 1 -6  20 3  o 152.4462 29.45778 713.3368       253.8386 713.3368       253.8386 0.000000       0.000000 152.4462 29.45778 ?        ?        0.000000       29.45778 
1 1 1 -6  20 4  o 364.3823 7.260731 3896.735       155.1630 3844.958       193.1730 3990.882       260.4872 361.7517 9.112369 368.2878 12.07636 -6.536102      15.12858 
1 1 1 -6  20 5  o 301.8954 7.069675 2674.805       125.1718 2563.692       153.6014 2894.469       215.9687 295.3553 8.877551 313.5994 11.76347 -18.24408      14.73737 
1 1 1 -6  20 6  o 825.2776 14.28085 20042.11       691.2014 20744.94       1019.745 19444.76       940.1158 837.9955 20.74911 811.5905 19.75122 26.40503       28.64675 
1 1 1 -6  20 7  o 114.9718 10.69289 391.7524       71.27379 352.9923       83.76760 493.4009       135.6546 108.7240 13.42177 128.0057 18.61496 -19.28172      22.94909 
1 1 1 -6  20 8  o 206.0027 7.445813 1247.354       89.80915 1121.557       111.8265 1475.902       150.7299 195.1460 9.802281 223.7689 11.52430 -28.62286      15.12925 
1 1 1 -6  20 9  o 466.6917 8.137846 6395.272       222.7358 6211.124       328.7875 6551.467       302.8061 459.3798 12.21458 472.1032 10.93647 -12.72336      16.39519 
1 1 1 -6  20 10 o 196.6362 9.359887 1138.510       107.6307 1085.106       112.6610 1696.790       364.2610 191.8969 10.04547 237.3396 26.62795 -45.44267      28.45978 
1 1 1 -6  20 11 o 444.3312 8.058399 5798.000       209.9936 5710.888       310.5647 5871.374       285.0276 440.4167 12.03497 446.8621 10.87584 -6.445374      16.22111 
1 1 1 -6  20 12 o 562.8685 21.42756 9408.074       706.0513 0.000000       0.000000 9408.074       706.0513 ?        ?        562.8685 21.42756 0.000000       21.42756 
1 1 1 -6  20 13 o 586.5159 9.592657 10112.13       329.9660 9618.268       480.1070 10554.22       454.2507 570.9749 14.34877 598.6010 12.93921 -27.62610      19.32124 
1 1 1 -6  20 14 o 316.4596 7.063703 2940.929       131.0995 2825.999       186.0245 3054.335       184.7872 309.7990 10.25270 322.1417 9.792171 -12.34262      14.17760 
1 1 1 -6  20 15 o 123.3463 12.73626 453.1184       90.81027 488.0691       102.2630 322.7739       197.4866 127.8911 13.85517 102.6255 30.54838 25.26559       33.54354 
1 1 1 -6  20 16 o 171.5201 8.296187 866.7321       83.20590 891.1667       111.8610 836.4679       124.4917 173.6183 11.04306 167.9521 12.73364 5.666260       16.85511 
1 1 1 -6  20 17 o 165.2885 7.946223 804.8605       76.80331 725.0610       97.14040 937.9251       125.4386 156.5584 10.64297 177.9564 12.09076 -21.39801      16.10774 
1 1 1 -6  20 18 o 110.0271 11.32878 360.5226       72.05904 379.6361       95.95751 335.8058       109.1205 112.3255 14.93617 104.8273 18.42127 7.498146       23.71566 
1 1 1 -6  20 19 f 323.5591 6.715014 3075.843       127.4240 3044.270       179.0932 3108.212       181.3371 321.4443 9.510443 324.8024 9.529864 -3.358093      13.46354 
1 1 1 -6  20 20 o 90.26439 13.26894 245.8721       68.14829 186.3714       90.48208 323.8702       103.5961 77.55486 19.82100 102.9330 17.80496 -25.37814      26.64374 
1 1 1 -6  20 21 o 359.3494 6.767476 3795.141       142.6245 3828.603       204.5569 3763.484       198.9624 360.3789 9.687201 357.3346 9.502352 3.044312       13.56969 
1 1 1 -6  20 22 o 316.3456 6.764810 2941.417       125.5070 2919.076       176.4412 2964.299       178.5654 314.6316 9.573099 317.0540 9.614251 -2.422424      13.56754 
1 1 1 -6  20 23 o 137.9408 9.733558 563.4455       78.23789 510.4962       104.5424 630.8573       117.9587 130.5839 13.86214 145.2838 14.01788 -14.69992      19.71446 
1 1 1 -6  20 24 o 140.0859 11.42041 583.0870       93.01328 637.7888       118.7508 496.2563       149.6140 146.0860 14.03284 127.1439 20.78165 18.94218       25.07584 
1 1 1 -6  20 25 o 313.9560 8.668403 2903.701       159.4566 2872.288       194.5907 2967.912       278.2079 311.8871 10.65399 315.9635 15.05683 -4.076355      18.44493 
1 1 1 -6  20 26 o 243.4938 8.931619 1748.070       127.3304 1892.710       161.5879 1511.140       206.8118 253.0487 10.91381 225.0364 15.76994 28.01230       19.17817 
1 1 1 -6  20 27 o 85.78088 16.53150 226.0923       80.15182 102.6279       115.6354 340.2637       111.1984 64.25384 23.51535 105.2399 18.70159 -40.98610      30.04532 
1 1 1 -6  20 28 o 128.8901 11.04922 494.1833       82.71712 502.6262       123.9421 487.4027       111.0725 128.8178 16.80594 127.1937 15.18975 1.624100       22.65321 
1 1 1 -6  20 29 o 270.1110 9.682693 2155.167       153.1390 2344.520       435.7454 2128.485       163.5733 275.0025 27.38096 268.2779 10.41605 6.724609       29.29524 
1 1 1 -6  20 30 o 218.0159 8.381283 1403.029       106.9645 902.6979       427.4462 1436.453       110.4795 161.3643 43.97580 220.5707 8.556735 -59.20638      44.80055 
1 1 1 -6  20 31 o 335.8698 8.139355 3325.669       160.3288 2733.414       479.3949 3400.255       170.1250 295.0149 28.04449 339.4155 8.553270 -44.40057      29.31982 
1 1 1 -6  20 32 o 46.40796 18.42693 36.51554       74.84521 -27.83414      389.0344 38.98885       76.27001 86.84165 38.48664 47.12389 18.63639 39.71777       42.76139 
1 1 1 -6  20 33 o 238.1536 8.395339 1676.424       117.0755 1739.478       468.4737 1672.224       120.9121 227.8507 36.27261 237.7888 8.684763 -9.938126      37.29782 
1 1 1 -6  20 34 o 273.5860 10.23538 2223.073       163.9389 1403.943       473.7097 2334.527       174.7364 198.0403 42.08464 280.2227 10.65175 -82.18243      43.41171 
1 1 1 -6  20 35 o 61.81595 18.83081 118.4351       74.41381 83.78257       97.32836 167.1939       115.4513 57.65834 21.48881 73.23131 23.62420 -15.57297      31.93543 
1 1 1 -6  20 36 o 41.23994 17.65113 3.181358       75.99012 49.21098       104.0261 -49.48389      111.2720 53.31696 21.53410 44.05922 19.96653 9.257736       29.36630 
1 1 1 -6  20 37 o 360.9397 7.626464 3860.617       161.4390 3800.960       224.5941 3924.392       232.2150 356.1444 10.76516 361.7457 10.95815 -5.601288      15.36131 
1 1 1 -6  20 38 o 46.30832 19.00398 31.20241       82.57343 -20.53737      120.1501 77.51332       113.6720 48.06925 21.34129 58.01273 22.81045 -9.943485      31.23727 
1 1 1 -6  20 39 o 170.1545 9.996020 870.4796       99.31250 943.1137       141.8266 800.6004       139.1109 175.1517 13.92124 160.7422 14.92695 14.40948       20.41115 
1 1 1 -6  20 40 o 108.3335 15.24630 369.7328       94.19122 416.3316       134.4659 324.8398       131.9818 111.6785 21.30736 97.14973 23.43662 14.52879       31.67458 
1 1 1 -6  20 41 o 97.37207 17.18739 306.8207       94.56384 481.9410       141.0566 163.8692       127.4440 120.2665 20.74792 70.44209 24.81890 49.82444       32.34895 
1 1 1 -6  20 42 o 81.70607 19.81018 225.5497       93.93346 272.3332       139.2126 186.4471       127.2728 86.82094 25.59895 73.43166 24.85043 13.38928       35.67702 
1 1 1 -6  20 43 o 44.03105 19.45315 -6.379145      98.64276 -4.594338      142.4378 -8.024026      136.7404 51.87001 23.11991 50.69381 22.62045 1.176201       32.34525 
1 1 1 -6  20 44 o 53.54924 21.43225 69.51499       102.0492 221.7504       150.3781 -60.43978      138.9385 77.51973 26.98540 46.74018 21.59932 30.77955       34.56505 
1 1 1 -6  20 45 o 45.76412 20.32207 -5.045546      109.0040 81.34010       160.2511 -79.43187      148.7054 61.03785 25.86114 46.84984 21.88479 14.18801       33.87835 
1 1 1 -6  20 46 o 142.9872 15.27477 657.1553       126.1104 664.0903       183.6497 650.9673       173.4787 135.7446 23.94319 135.7445 22.58397 0.3051758E-04  32.91370 
1 1 1 -6  21 1  o 495.5424 9.770274 7213.478       283.9475 7213.478       283.9475 0.000000       0.000000 495.5424 9.770274 ?        ?        0.000000       9.770274 
1 1 1 -6  21 2  o 480.8859 15.07364 6816.404       424.5942 6816.404       424.5942 0.000000       0.000000 480.8859 15.07364 ?        ?        0.000000       15.07364 
1 1 1 -6  21 3  o 67.78006 30.18651 -89.58553      242.2995 -89.58553      242.2995 0.000000       0.000000 67.78006 30.18651 ?        ?        0.000000       30.18651 
1 1 1 -6  21 4  o 100.9463 12.84173 304.5506       74.30786 288.4002       86.42870 350.3232       145.5020 97.74696 15.60076 106.6549 23.85944 -8.907944      28.50713 
1 1 1 -6  21 5  o 366.7422 8.003392 3949.060       172.1415 3780.709       220.5256 4211.637       275.4108 358.5233 10.49927 378.1972 12.43377 -19.67389      16.27370 
1 1 1 -6  21 6  f 306.7765 7.099609 2762.575       127.7342 2744.243       162.0843 2792.619       207.5013 305.5245 9.055738 307.9679 11.50879 -2.443420      14.64441 
1 1 1 -6  21 7  o 321.6013 7.441252 3036.481       140.3506 3102.480       191.4381 2959.782       206.3739 324.7635 10.06317 317.0896 11.11461 7.673920       14.99340 
1 1 1 -6  21 8  o 207.6915 7.172971 1267.870       87.24005 1161.925       111.2886 1436.758       140.5111 198.6235 9.581918 220.7918 10.88474 -22.16826      14.50140 
1 1 1 -6  21 9  o 117.3564 12.49333 409.8829       84.66732 422.6061       87.66798 233.5080       326.4081 119.1493 12.74349 102.7005 39.11535 16.44873       41.13887 
1 1 1 -6  21 10 o 310.5644 7.411207 2832.188       134.9868 2850.490       181.7151 2809.652       201.6354 311.2348 9.968107 308.8589 11.14986 2.375977       14.95602 
1 1 1 -6  21 11 o 667.0372 10.75499 13087.85       420.7370 12408.96       606.2792 13718.52       584.3505 648.3043 15.94569 682.0273 14.60902 -33.72296      21.62611 
1 1 1 -6  21 12 o 520.4476 11.44013 7972.830       349.1874 8103.017       422.5115 7692.292       620.2260 524.0621 13.75882 508.5853 20.83802 15.47678       24.97054 
1 1 1 -6  21 13 o 336.0342 18.50529 3356.247       363.2871 0.000000       0.000000 3356.247       363.2871 ?        ?        336.0342 18.50529 0.000000       18.50529 
1 1 1 -6  21 14 o 232.2588 21.69288 1620.070       292.0701 0.000000       0.000000 1620.070       292.0701 ?        ?        232.2588 21.69288 0.000000       21.69288 
1 1 1 -6  21 15 o 317.9572 9.356697 2976.464       174.2886 3199.816       206.4567 2422.515       325.1384 329.4814 10.69852 284.8138 19.58432 44.66760       22.31600 
1 1 1 -6  21 16 o 131.5331 9.886383 512.0792       75.70646 511.6775       95.54435 512.7568       124.1006 131.1056 12.58025 130.5328 16.58467 0.5727997      20.81620 
1 1 1 -6  21 17 o 217.1582 8.732965 1389.405       110.9946 1461.556       128.0626 1171.550       222.5268 222.5959 9.833946 197.4344 19.47121 25.16153       21.81363 
1 1 1 -6  21 18 o 602.0724 9.789637 10674.39       345.6733 10573.12       535.2419 10746.86       452.7576 597.2186 15.29409 603.2165 12.79800 -5.997864      19.94237 
1 1 1 -6  21 19 o 235.5133 7.143950 1631.904       98.56026 1548.064       136.8587 1722.234       142.0572 228.9760 10.21708 241.5638 10.04918 -12.58771      14.33090 
1 1 1 -6  21 20 o 36.09158 16.12304 -28.58327      69.67699 35.89580       91.48483 -117.6514      107.5229 50.26215 20.23178 38.66869 18.23455 11.59346       27.23644 
1 1 1 -6  21 21 o 408.1295 7.325218 4897.911       175.3352 4723.620       242.8112 5087.815       253.4539 400.1223 10.35597 415.2561 10.41539 -15.13376      14.68762 
1 1 1 -6  21 22 o 312.0204 6.847295 2861.818       125.3004 2848.072       176.8058 2875.687       177.6000 310.7391 9.713680 312.2440 9.710160 -1.504883      13.73473 
1 1 1 -6  21 23 o 292.6950 7.020015 2518.577       120.5047 2290.833       160.0684 2816.506       183.0786 278.6411 9.810434 308.9378 10.11818 -30.29678      14.09334 
1 1 1 -6  21 24 o 164.9030 9.743086 804.0280       93.80708 708.1565       128.6546 912.8540       137.0715 153.9324 14.41880 175.1271 13.44868 -21.19472      19.71722 
1 1 1 -6  21 25 o 266.9053 9.039966 2100.178       141.3017 2230.586       176.9749 1870.853       234.6851 274.7282 11.00621 250.4278 16.06382 24.30045       19.47262 
1 1 1 -6  21 26 o 287.2072 7.500932 2427.854       126.2377 2340.534       174.6024 2523.492       182.7289 281.4703 10.59603 292.2625 10.67860 -10.79224      15.04355 
1 1 1 -6  21 27 o 123.1607 11.90821 452.5713       84.94236 539.6363       125.8784 379.7811       115.0975 133.6536 16.40256 111.3552 18.25609 22.29842       24.54239 
1 1 1 -6  21 28 o 223.0953 8.016068 1467.369       104.7119 1406.417       147.6004 1529.129       148.5742 217.7633 11.59903 227.1776 11.18575 -9.414215      16.11392 
1 1 1 -6  21 29 o 122.1849 11.94558 446.3716       84.50806 520.4232       126.6313 386.9097       113.4733 130.8629 16.89336 112.3012 17.82367 18.56171       24.55746 
1 1 1 -6  21 30 o 64.24602 22.23654 115.5967       102.0391 137.6236       413.2151 114.1663       105.3002 98.88888 41.69419 64.36797 22.56944 34.52090       47.41081 
1 1 1 -6  21 31 o 305.2368 7.964144 2748.832       142.4476 3155.202       475.5166 2708.769       149.3043 318.2469 25.69547 302.8958 8.412969 15.35104       27.03766 
1 1 1 -6  21 32 o 89.53554 15.92664 247.3260       80.56628 -190.0041      418.8351 264.1297       82.09951 81.98788 37.74903 92.66591 15.66441 -10.67802      40.87008 
1 1 1 -6  21 33 o 116.3077 13.29613 409.0297       89.06738 297.1235       448.1892 413.6309       90.88000 108.5082 44.37291 116.9138 13.50194 -8.405594      46.38165 
1 1 1 -6  21 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  21 35 o 190.3335 12.38120 1090.880       137.4565 838.6963       421.4640 1120.897       145.4072 144.9700 44.93533 192.7138 12.94038 -47.74376      46.76150 
1 1 1 -6  21 36 f 134.1197 10.71385 541.2780       83.57285 560.6459       111.9107 516.8585       125.6603 135.1879 14.33320 128.5704 17.08774 6.617462       22.30317 
1 1 1 -6  21 37 o 105.7879 13.61061 344.9411       82.48868 444.0328       115.6550 242.3408       117.6847 118.7045 17.10605 85.07327 23.02862 33.63123       28.68683 
1 1 1 -6  21 38 o 49.59344 19.46093 53.42163       82.59664 162.6191       113.0440 -71.64139      120.9778 70.80343 23.41116 43.83168 20.21949 26.97175       30.93397 
1 1 1 -6  21 39 o 211.0783 8.642022 1331.764       106.7554 1313.284       147.5239 1352.080       154.6802 207.6888 12.16478 210.4704 12.58874 -2.781631      17.50595 
1 1 1 -6  21 40 o 220.5908 8.810117 1458.248       113.7483 1503.709       160.1951 1412.020       161.5423 221.7216 12.36845 214.4457 12.90424 7.275955       17.87451 
1 1 1 -6  21 41 o 56.87451 21.01914 94.13839       92.75868 148.9363       135.5996 45.94388       127.1672 68.39243 25.38824 54.87611 23.13320 13.51631       34.34687 
1 1 1 -6  21 42 o 32.60382 15.80464 -136.2059      93.77467 -166.3280      142.6844 -113.3022      124.4189 41.34185 19.90549 40.81770 19.35688 0.5241585      27.76541 
1 1 1 -6  21 43 o 113.1736 15.96455 413.0608       103.0225 471.6506       149.0318 359.4384       142.5742 116.0691 22.70695 99.50428 24.57794 16.56487       33.46163 
1 1 1 -6  21 44 o 50.02035 20.88656 43.24067       102.1558 137.9212       145.1030 -49.80595      143.8455 66.15514 25.84282 48.19728 22.16609 17.95786       34.04684 
1 1 1 -6  21 45 o 118.2362 17.42707 462.1243       117.2244 540.1274       165.8702 384.2899       165.6908 122.2180 23.99791 99.29883 27.50653 22.91921       36.50355 
1 1 1 -6  21 46 o 73.19071 24.45178 197.0047       123.2436 119.2749       179.6401 266.1223       169.3962 65.61114 27.56702 81.75943 28.62892 -16.14829      39.74363 
1 1 1 -6  22 1  o 432.9975 9.455365 5508.601       240.1122 5829.669       377.7872 5291.004       311.0104 444.6160 14.50753 423.8637 12.52491 20.75223       19.16617 
1 1 1 -6  22 2  o 245.0300 17.65258 1781.689       251.9749 1781.689       251.9749 0.000000       0.000000 245.0300 17.65258 ?        ?        0.000000       17.65258 
1 1 1 -6  22 3  o 340.8687 15.11656 3431.236       301.4456 3431.236       301.4456 0.000000       0.000000 340.8687 15.11656 ?        ?        0.000000       15.11656 
1 1 1 -6  22 4  o 234.7292 19.60987 1640.907       267.4912 1640.907       267.4912 0.000000       0.000000 234.7292 19.60987 ?        ?        0.000000       19.60987 
1 1 1 -6  22 5  o 440.4675 7.627982 5696.933       197.0489 5452.063       235.0575 6275.841       361.4198 430.7540 9.304527 461.4633 13.36849 -30.70929      16.28774 
1 1 1 -6  22 6  o 376.5462 7.175306 4162.933       158.4562 3981.242       190.7442 4567.543       284.6444 368.1187 8.835128 393.7487 12.34155 -25.62997      15.17805 
1 1 1 -6  22 7  o 160.0688 8.449932 754.7781       79.04406 609.5948       92.41003 1150.606       152.5858 143.5378 11.06277 197.2064 13.27022 -53.66859      17.27668 
1 1 1 -6  22 8  o 79.48498 15.00928 192.4207       67.40343 210.2167       80.14288 149.4070       124.5969 82.85477 17.06144 73.08901 24.58780 9.765755       29.92745 
1 1 1 -6  22 9  o 428.9825 7.923625 5405.850       199.3490 5423.936       296.5313 5390.937       269.2790 429.0809 11.79486 427.9424 10.73766 1.138489       15.95043 
1 1 1 -6  22 10 o 470.5557 8.295812 6506.232       228.9393 6404.379       339.9082 6590.802       309.7303 466.1000 12.44574 473.2133 11.16031 -7.113281      16.71673 
1 1 1 -6  22 11 o 278.4611 22.60062 2324.826       365.9226 0.000000       0.000000 2324.826       365.9226 ?        ?        278.4611 22.60062 0.000000       22.60062 
1 1 1 -6  22 12 o 433.6234 7.865304 5525.229       200.0224 5275.210       287.3597 5760.224       278.5928 423.0268 11.59357 442.3513 10.73871 -19.32443      15.80287 
1 1 1 -6  22 13 f 562.6548 9.482190 9313.302       312.8969 9669.555       501.6177 9086.397       400.3269 571.7531 14.97227 555.1505 12.29571 16.60260       19.37404 
1 1 1 -6  22 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  22 15 o 372.3228 7.435436 4074.045       162.3591 3968.531       232.1327 4175.095       227.1686 366.8611 10.80083 376.3889 10.30077 -9.527771      14.92527 
1 1 1 -6  22 16 o 276.1106 8.646018 2244.863       139.8345 2225.523       158.6099 2312.350       296.2903 274.7465 9.859444 278.2697 18.25602 -3.523254      20.74827 
1 1 1 -6  22 17 o 180.6518 8.467225 962.2015       89.45898 1078.770       120.6427 819.8149       133.3356 190.9924 10.81466 165.9223 13.82781 25.07010       17.55463 
1 1 1 -6  22 18 o 379.7777 7.379229 4240.520       164.3581 4172.528       243.5565 4297.372       222.7141 375.9483 11.05843 381.7774 9.955379 -5.829163      14.87946 
1 1 1 -6  22 19 o 209.3741 7.599131 1290.871       93.15720 1324.193       128.1400 1253.516       135.6707 211.6886 10.35275 205.7980 11.28390 5.890533       15.31359 
1 1 1 -6  22 20 o 405.0159 7.587009 4824.475       180.2160 4617.909       263.6371 5005.663       246.9120 395.3603 11.38191 412.0562 10.21728 -16.69589      15.29512 
1 1 1 -6  22 21 o 232.3360 7.579341 1589.295       103.1376 1535.787       143.7146 1646.120       148.1014 227.9149 10.78228 235.9864 10.72900 -8.071487      15.21082 
1 1 1 -6  22 22 o 248.3740 7.525682 1815.915       109.4968 1828.865       153.2975 1802.427       156.4544 248.8056 10.52949 246.9445 10.82917 1.861145       15.10434 
1 1 1 -6  22 23 o 237.8061 7.956537 1665.531       110.8117 1457.195       148.9427 1923.814       165.8382 221.8806 11.48497 255.0938 11.11161 -33.21324      15.98038 
1 1 1 -6  22 24 o 244.4996 9.897779 1764.723       141.6341 1851.652       177.3538 1611.677       235.3247 250.0471 12.13014 231.9974 17.42281 18.04970       21.22957 
1 1 1 -6  22 25 o 303.9711 7.541177 2717.825       134.4380 2371.392       178.9379 3166.815       203.7097 283.2813 10.79018 327.4570 10.62140 -44.17566      15.14075 
1 1 1 -6  22 26 o 256.2244 7.814012 1933.813       117.2836 1796.745       164.2873 2076.271       167.4870 246.3367 11.40261 264.9705 10.80051 -18.63387      15.70575 
1 1 1 -6  22 27 o 339.2307 7.551260 3386.815       150.2329 3385.259       216.0940 3388.270       209.0061 338.3148 10.90533 338.5609 10.53903 -0.2460938     15.16567 
1 1 1 -6  22 28 o 343.2071 7.468831 3467.909       150.3348 3460.481       211.8142 3475.449       213.4057 341.9965 10.57316 342.7196 10.63022 -0.7230530     14.99311 
1 1 1 -6  22 29 o 260.8188 7.631007 2005.647       116.6015 1939.313       165.3551 2071.255       164.4475 255.7052 11.05234 264.3875 10.62727 -8.682297      15.33275 
1 1 1 -6  22 30 o 287.2329 7.506334 2432.559       126.3398 2509.381       183.2397 2362.948       174.4287 290.9057 10.75884 282.3385 10.55267 8.567169       15.07022 
1 1 1 -6  22 31 o 139.1600 14.38280 584.4012       115.6943 100.3520       445.1674 619.4633       119.8112 98.29805 42.40566 143.2944 14.45398 -44.99640      44.80132 
1 1 1 -6  22 32 o 206.1648 8.910416 1258.894       107.4822 1142.268       459.6476 1265.640       110.5470 177.1026 44.35479 206.6632 9.143441 -29.56065      45.28741 
1 1 1 -6  22 33 o 404.5980 9.192562 4848.412       218.1277 0.000000       0.000000 4848.412       218.1277 ?        ?        404.5980 9.192562 0.000000       9.192562 
1 1 1 -6  22 34 o 69.35652 23.99125 143.8973       118.7714 0.000000       0.000000 143.8973       118.7714 ?        ?        69.35652 23.99125 0.000000       23.99125 
1 1 1 -6  22 35 o 171.8624 12.61748 893.8013       126.2893 460.0455       418.2770 937.3087       132.4716 111.5932 43.79285 175.8796 12.93316 -64.28638      45.66268 
1 1 1 -6  22 36 o 52.60416 19.26114 74.31298       77.59464 34.31726       102.6740 127.5777       118.4878 50.74900 21.04427 65.94234 23.85232 -15.19334      31.80872 
1 1 1 -6  22 37 o 167.4615 9.172879 839.1034       89.74482 653.8276       116.2348 1112.587       141.2189 145.9108 13.74500 191.2427 12.66222 -45.33188      18.68842 
1 1 1 -6  22 38 o 174.0553 9.316504 908.4811       94.75574 926.2529       126.6111 885.8530       142.8663 174.2474 12.47201 169.2232 14.53595 5.024185       19.15320 
1 1 1 -6  22 39 o 63.58294 20.38766 131.6135       86.07403 111.2623       119.3686 153.6564       124.2310 62.45357 23.68540 69.00279 24.48627 -6.549221      34.06722 
1 1 1 -6  22 40 o 87.40212 18.99348 253.7525       94.57188 91.68331       141.2314 385.4974       127.3351 61.86032 25.05278 106.9902 21.04348 -45.12986      32.71803 
1 1 1 -6  22 41 o 36.92787 17.25129 -69.72732      92.43143 22.78791       133.2099 -155.6292      128.3605 53.16912 23.06669 39.21320 18.88041 13.95592       29.80843 
1 1 1 -6  22 42 f 41.41269 18.62173 -23.48051      94.62114 -93.06307      140.0938 34.88891       128.3103 44.93344 21.07090 53.32003 22.88119 -8.386581      31.10517 
1 1 1 -6  22 43 o 60.93126 22.31568 118.1247       104.1669 162.2487       153.3828 80.35294       141.9133 69.68197 26.74565 59.44202 24.70286 10.23995       36.40825 
1 1 1 -6  22 44 o 114.2302 17.22128 429.9526       111.7886 421.3087       156.3254 438.9987       159.9219 106.4304 25.39905 108.5882 25.54215 -2.157806      36.02101 
1 1 1 -6  22 45 o 40.72483 19.08655 -77.13129      114.6739 -113.2836      164.1626 -42.67959      160.2549 47.07841 22.29906 50.78932 23.37205 -3.710915      32.30326 
1 1 1 -6  23 1  o 167.0450 21.63225 841.4915       206.9550 841.4915       206.9550 0.000000       0.000000 167.0450 21.63225 ?        ?        0.000000       21.63225 
1 1 1 -6  23 2  o 225.5769 8.411387 1496.988       111.0840 1496.988       111.0840 0.000000       0.000000 225.5769 8.411387 ?        ?        0.000000       8.411387 
1 1 1 -6  23 3  o 355.6690 14.13049 3735.067       294.1632 3735.067       294.1632 0.000000       0.000000 355.6690 14.13049 ?        ?        0.000000       14.13049 
1 1 1 -6  23 4  o 313.9974 8.441497 2898.873       155.3109 2898.873       155.3109 0.000000       0.000000 313.9974 8.441497 ?        ?        0.000000       8.441497 
1 1 1 -6  23 5  o 360.7306 6.927154 3820.953       146.5508 3643.395       174.5284 4245.470       269.8629 352.1335 8.451002 379.5213 12.13991 -27.38776      14.79178 
1 1 1 -6  23 6  o 365.0594 7.010415 3913.513       150.0921 3905.551       187.7723 3927.604       249.7821 364.5400 8.782859 365.0699 11.68138 -0.5299072     14.61483 
1 1 1 -6  23 7  o 198.8308 7.550632 1162.937       87.88760 1243.596       109.2862 1015.273       147.8685 205.4791 9.091249 185.0478 13.72281 20.43127       16.46105 
1 1 1 -6  23 8  o 255.6375 7.315827 1921.121       109.5700 1797.551       135.5382 2154.196       186.1458 247.0708 9.370823 270.1968 11.77516 -23.12601      15.04881 
1 1 1 -6  23 9  o 204.3327 7.486773 1228.229       89.56705 1160.090       112.8576 1344.172       147.2169 198.3538 9.731217 213.2862 11.81530 -14.93242      15.30679 
1 1 1 -6  23 10 o 202.6268 7.842360 1208.336       93.01937 1121.391       116.2059 1363.410       155.1946 194.9385 10.19985 214.7047 12.37739 -19.76628      16.03860 
1 1 1 -6  23 11 o 325.2377 7.160725 3107.669       136.5867 3021.000       192.0477 3196.381       194.2974 320.1961 10.24003 329.3943 10.06956 -9.198242      14.36156 
1 1 1 -6  23 12 f 207.1128 9.669730 1265.087       117.1308 1365.985       126.0059 623.5688       317.7253 215.1878 10.01186 139.6465 37.85432 75.54131       39.15593 
1 1 1 -6  23 13 o 329.9259 9.251765 3205.414       178.8391 3176.236       200.2611 3320.327       397.4224 328.2350 10.41625 333.1123 20.44126 -4.877380      22.94217 
1 1 1 -6  23 14 o 261.5929 7.171288 2012.519       109.9167 1966.542       148.1054 2068.893       163.9981 258.2581 9.796127 264.7840 10.58211 -6.525940      14.42031 
1 1 1 -6  23 15 o 373.0642 7.551468 4091.641       165.2211 3974.786       235.3939 4205.111       231.9598 367.0222 10.94808 377.6119 10.48424 -10.58972      15.15849 
1 1 1 -6  23 16 o 201.5067 7.878071 1196.014       92.92282 1118.416       124.0514 1295.218       140.2620 194.4431 10.92215 209.2026 11.47596 -14.75957      15.84270 
1 1 1 -6  23 17 o 245.9632 8.914490 1783.285       128.3803 1865.819       147.1176 1519.770       262.8756 251.4320 9.996776 224.5662 20.17456 26.86583       22.51551 
1 1 1 -6  23 18 o 247.4197 7.442624 1801.782       107.8740 1920.595       153.3672 1685.448       151.7594 255.0333 10.27483 238.7840 10.86524 16.24931       14.95412 
1 1 1 -6  23 19 o 220.1686 7.988458 1427.995       102.9789 1318.597       139.8071 1557.743       152.2565 211.0556 11.33648 229.4446 11.35004 -18.38904      16.04180 
1 1 1 -6  23 20 o 93.76122 15.36137 267.4791       81.54772 203.0619       105.0410 365.2022       129.3768 80.84554 21.70134 108.6117 21.07127 -27.76613      30.24808 
1 1 1 -6  23 21 o 268.1928 7.723351 2117.398       121.3531 1959.889       165.6462 2299.868       178.2887 257.4966 10.99412 278.9893 10.91754 -21.49280      15.49397 
1 1 1 -6  23 22 o 300.9888 7.848954 2666.747       138.4337 2557.747       194.5043 2778.642       197.0708 294.1652 11.29523 306.6893 10.97422 -12.52408      15.74852 
1 1 1 -6  23 23 o 300.4022 8.002939 2656.943       140.8692 2525.254       199.2442 2788.566       199.1942 292.1940 11.65025 307.1973 11.07439 -15.00327      16.07391 
1 1 1 -6  23 24 o 250.0393 9.432786 1844.808       138.0764 1825.646       166.7783 1886.559       246.1823 248.3632 11.48096 251.1767 16.80869 -2.813477      20.35546 
1 1 1 -6  23 25 o 79.43686 21.77451 196.3239       104.4463 303.8229       130.1467 1.816761       175.0647 98.37677 22.97549 62.31630 26.73401 36.06047       35.25026 
1 1 1 -6  23 26 o 113.0698 14.25144 385.5195       92.41027 324.0319       135.6427 438.7774       126.2392 101.4512 23.29066 119.6893 18.58676 -18.23807      29.79803 
1 1 1 -6  23 27 o 107.6150 16.51094 353.7165       100.8849 473.0359       139.8644 224.3082       145.6574 123.8304 19.93545 85.17672 26.41887 38.65370       33.09651 
1 1 1 -6  23 28 o 229.4768 8.165448 1554.214       109.7177 1527.618       157.3230 1579.398       153.0920 226.6878 11.87491 230.6412 11.35276 -3.953400      16.42860 
1 1 1 -6  23 29 o 305.7571 7.732988 2757.074       138.5561 2779.251       196.6427 2735.208       195.2605 306.1077 10.97124 303.6661 10.98205 2.441620       15.52332 
1 1 1 -6  23 30 o 173.0198 9.407666 887.4476       95.10237 871.1350       133.4364 904.2883       135.5793 170.4556 13.45698 173.6999 13.41276 -3.244247      18.99980 
1 1 1 -6  23 31 o 270.5871 7.859239 2162.311       124.5884 2097.066       175.4735 2228.640       176.9247 265.4697 11.29640 273.7729 11.04179 -8.303253      15.79651 
1 1 1 -6  23 32 o 186.9807 9.842093 1039.493       107.5481 978.3104       493.3373 1042.546       110.1985 158.5981 48.51958 187.1945 10.07477 -28.59642      49.55453 
1 1 1 -6  23 33 o 213.9689 8.726428 1358.927       109.2762 1210.091       472.4170 1367.341       112.3224 176.2374 45.42108 214.5656 8.945599 -38.32820      46.29361 
1 1 1 -6  23 34 o 211.9161 8.877970 1336.201       110.0944 768.9965       447.0159 1372.827       113.5934 135.5555 46.55793 214.7490 9.039486 -79.19353      47.42735 
1 1 1 -6  23 35 o 198.3617 11.13740 1183.832       129.0460 1273.787       440.2639 1175.378       134.9743 178.0108 42.71705 197.3863 11.71225 -19.37549      44.29361 
1 1 1 -6  23 36 o 133.6116 10.62655 538.7002       82.58420 472.2715       106.4898 638.9349       130.8095 123.3078 15.03596 143.2488 15.83431 -19.94105      21.83588 
1 1 1 -6  23 37 o 96.53600 15.15822 292.9968       82.99536 130.9901       111.5067 494.2296       124.2750 65.34230 23.19730 124.6959 17.47225 -59.35361      29.04125 
1 1 1 -6  23 38 o 125.2138 12.80086 482.8567       92.68176 448.5752       125.0937 524.5757       137.9980 117.5363 18.77905 127.0610 19.10989 -9.524696      26.79255 
1 1 1 -6  23 39 o 70.57758 20.48942 167.3653       89.78851 100.8027       131.7377 225.1115       122.7034 62.06576 24.50937 80.29779 24.12149 -18.23203      34.38831 
1 1 1 -6  23 40 o 112.7590 14.35176 400.1465       92.76125 519.8840       133.8878 289.6147       128.6381 125.9832 18.68632 90.48638 23.89179 35.49683       30.33144 
1 1 1 -6  23 41 o 58.60990 21.40337 105.3983       95.71915 160.3252       133.6976 47.63926       137.1012 69.19003 25.29110 55.92029 23.81517 13.26973       34.73906 
1 1 1 -6  23 42 o 73.22281 22.32402 188.8851       104.5542 198.2372       157.1889 181.4644       140.0199 74.41428 27.38642 71.85768 25.93763 2.556595       37.71972 
1 1 1 -6  23 43 o 71.69762 22.75684 182.6492       107.4572 190.1249       155.2772 175.7786       148.8608 72.87285 27.14559 70.88586 26.54398 1.986984       37.96664 
1 1 1 -6  23 44 f 68.59328 23.93508 166.6653       118.3416 385.3520       174.7943 -18.40786      160.8006 98.24060 28.60757 52.58904 23.89924 45.65156       37.27690 
1 1 1 -6  23 45 o 74.97873 24.19217 208.3156       121.0659 247.2136       167.0322 165.2638       175.7244 79.17586 28.36047 69.72596 28.04915 9.449898       39.88823 
1 1 1 -6  24 1  o 645.0137 16.64202 12313.42       629.0176 0.000000       0.000000 12313.42       629.0176 ?        ?        645.0137 16.64202 0.000000       16.64202 
1 1 1 -6  24 2  o 261.0261 15.95288 2021.282       243.0493 2021.282       243.0493 0.000000       0.000000 261.0261 15.95288 ?        ?        0.000000       15.95288 
1 1 1 -6  24 3  o 373.7171 8.630125 4105.236       189.1518 4105.236       189.1518 0.000000       0.000000 373.7171 8.630125 ?        ?        0.000000       8.630125 
1 1 1 -6  24 4  o 191.9890 9.281864 1086.410       104.2014 1086.410       104.2014 0.000000       0.000000 191.9890 9.281864 ?        ?        0.000000       9.281864 
1 1 1 -6  24 5  o 309.2942 6.862684 2809.603       124.4848 2684.467       149.1857 3096.464       225.8776 302.0911 8.428755 323.9746 11.90834 -21.88354      14.58947 
1 1 1 -6  24 6  o 75.30945 15.53816 173.7710       66.34984 182.8886       77.09822 147.7382       130.2763 77.06899 17.46303 73.23309 25.13482 3.835907       30.60582 
1 1 1 -6  24 7  o 278.0648 7.007790 2272.697       114.1909 2371.311       145.8508 2116.508       183.5541 283.8492 8.771869 267.7551 11.71733 16.09409       14.63699 
1 1 1 -6  24 8  o 117.9770 10.43637 412.9351       71.46599 353.6341       83.80036 571.0840       136.8510 108.6481 13.43756 137.7531 17.32137 -29.10500      21.92254 
1 1 1 -6  24 9  o 304.6676 7.171891 2727.218       128.1476 2701.908       176.5255 2755.417       186.3275 302.8160 9.953338 305.7349 10.40675 -2.918915      14.40032 
1 1 1 -6  24 10 o 125.3938 12.47437 468.3903       90.52171 513.7903       94.00214 -110.8726      335.7743 131.4068 12.34193 79.16791 35.37811 52.23891       37.46910 
1 1 1 -6  24 11 o 110.5158 13.80853 366.4229       87.55225 401.0531       90.85422 -84.19467      327.7337 115.7234 13.64896 79.50501 35.27509 36.21844       37.82362 
1 1 1 -6  24 12 o 190.2525 29.65871 1124.162       320.1407 0.000000       0.000000 1124.162       320.1407 ?        ?        190.2525 29.65871 0.000000       29.65871 
1 1 1 -6  24 13 o 190.6987 10.08519 1074.224       112.3919 1143.759       120.4187 604.1891       313.0820 196.7353 10.47440 136.9401 37.76356 59.79520       39.18928 
1 1 1 -6  24 14 o 165.8189 10.89596 814.2589       105.3749 800.3355       111.9714 922.0920       311.6102 164.2655 11.69936 170.7000 32.30919 -6.434402      34.36217 
1 1 1 -6  24 15 o 361.2239 9.512698 3845.854       201.3504 3863.752       232.6035 3792.348       402.1614 361.7592 10.97612 355.8744 19.34143 5.884796       22.23884 
1 1 1 -6  24 16 o 325.2066 9.150970 3116.788       174.3593 3018.028       196.0957 3489.649       381.0228 319.7617 10.47074 341.3372 19.10972 -21.57550      21.79031 
1 1 1 -6  24 17 o 213.8137 8.151767 1347.098       102.0332 1269.289       133.5478 1456.209       158.1440 207.1143 11.03434 221.6660 12.21193 -14.55171      16.45867 
1 1 1 -6  24 18 o 76.35522 18.47502 180.8148       81.82684 185.6184       100.3808 171.3008       141.2684 77.44611 21.39311 77.38604 26.18118 0.6006622E-01  33.81005 
1 1 1 -6  24 19 o 209.8821 8.292603 1298.321       101.8735 1277.104       135.3673 1326.032       154.7026 207.7303 11.15215 211.4318 12.53226 -3.701523      16.77582 
1 1 1 -6  24 20 o 310.9027 7.818953 2845.127       142.4554 2750.103       199.4184 2944.150       203.5705 305.0671 11.16484 315.6925 11.01198 -10.62543      15.68176 
1 1 1 -6  24 21 f 241.3107 8.538904 1716.054       120.6547 1590.044       162.6512 1870.233       179.9148 231.7001 12.01063 251.2889 12.24483 -19.58879      17.15199 
1 1 1 -6  24 22 o 244.5317 8.700867 1762.639       124.5821 1749.782       172.3612 1776.704       180.2765 243.0397 12.13072 244.8102 12.59860 -1.770462      17.48940 
1 1 1 -6  24 23 o 257.8260 9.670425 1962.105       145.9663 2031.391       176.5583 1812.487       259.4509 261.9898 11.51903 245.7527 18.12903 16.23715       21.47905 
1 1 1 -6  24 24 f 278.0064 9.540159 2281.425       155.3163 2277.959       187.7543 2288.937       276.4316 277.3656 11.56754 276.4513 17.13398 0.9143066      20.67320 
1 1 1 -6  24 25 o 103.8727 18.44647 332.3854       108.2574 473.2535       135.4442 83.20672       180.1398 124.2137 19.21210 70.68472 28.41171 53.52901       34.29767 
1 1 1 -6  24 26 o 128.2177 14.57248 495.4704       107.6384 476.5768       140.5362 522.2821       167.4145 124.2795 19.95674 129.3002 22.91601 -5.020653      30.38775 
1 1 1 -6  24 27 o 79.76743 19.42215 199.5387       89.99802 333.9377       127.9648 67.99311       126.5990 102.9858 21.86341 60.66831 24.00491 42.31746       32.46914 
1 1 1 -6  24 28 o 68.58524 20.73325 144.5919       90.44689 91.41874       135.3952 187.4429       121.5452 64.86613 25.06778 77.87286 24.12997 -13.00673      34.79438 
1 1 1 -6  24 29 o 76.36842 23.87943 180.0555       118.7403 58.14392       135.0744 594.6570       249.0956 60.62723 24.51966 133.8492 32.13869 -73.22195      40.42412 
1 1 1 -6  24 30 f 154.4046 11.05786 711.2365       99.47113 833.1488       145.3982 603.9764       136.3812 166.0158 15.09841 140.5850 16.87821 25.43086       22.64588 
1 1 1 -6  24 31 o 36.48897 16.68062 -49.35460      79.81930 27.23142       117.1468 -115.7204      109.0506 53.52480 22.35950 38.72866 18.29339 14.79614       28.88936 
1 1 1 -6  24 32 o 184.8465 12.00907 1025.657       129.4834 943.0881       497.5624 1031.655       134.1039 151.9262 49.04634 185.2419 12.41557 -33.31570      50.59337 
1 1 1 -6  24 33 o 253.5832 8.398845 1909.033       124.7357 1658.735       486.6702 1926.632       129.0464 209.6964 41.04247 254.6550 8.653156 -44.95860      41.94474 
1 1 1 -6  24 34 o 60.86555 19.27545 115.8894       77.13167 494.6192       465.2758 105.1871       78.21388 112.8685 45.55769 58.72791 19.47540 54.14058       49.54588 
1 1 1 -6  24 35 o 161.2513 14.96069 802.7084       139.8699 0.000000       0.000000 802.7084       139.8699 ?        ?        161.2513 14.96069 0.000000       14.96069 
1 1 1 -6  24 36 o 67.51909 18.34233 148.3463       74.50268 65.80491       94.55258 283.5144       120.9970 53.39188 20.85995 91.68159 22.63961 -38.28971      30.78456 
1 1 1 -6  24 37 o 157.3926 9.786860 745.9607       89.89264 713.9238       118.0617 790.1542       138.6638 152.2621 13.35621 159.2564 15.02374 -6.994339      20.10227 
1 1 1 -6  24 38 o 100.1283 15.10395 317.3477       85.93817 286.7852       112.3485 360.4495       133.4197 91.99315 21.25156 102.4667 22.79052 -10.47353      31.16146 
1 1 1 -6  24 39 o 153.0668 10.65995 712.4014       95.09646 735.8870       130.4539 685.7693       138.9183 153.1843 14.70110 146.6734 16.43156 6.510895       22.04810 
1 1 1 -6  24 40 o 60.22294 21.60129 113.9714       96.93797 160.6121       138.7132 69.45038       135.5244 69.57842 25.70562 58.11706 24.14532 11.46136       35.26719 
1 1 1 -6  24 41 o 114.0570 16.39128 421.4139       106.4986 281.1887       150.1409 563.4122       151.0872 86.40690 26.82599 128.8002 20.70283 -42.39327      33.88570 
1 1 1 -6  24 42 o 48.04662 20.57245 25.05005       103.2983 109.7503       145.6331 -60.71166      146.5428 62.90817 25.45355 47.88113 22.14630 15.02703       33.73932 
1 1 1 -6  24 43 o 77.64481 23.70250 220.7686       117.8155 245.5697       174.6538 200.0598       159.5951 79.41298 28.92516 73.78151 27.51329 5.631470       39.92049 
1 1 1 -6  24 44 o 40.85374 19.34343 -99.85577      123.3074 56.82260       175.7755 -251.6658      173.0231 59.96060 26.24643 42.03620 20.61277 17.92440       33.37307 
1 1 1 -6  25 1  o 221.5686 8.384727 1445.332       108.7586 1445.332       108.7586 0.000000       0.000000 221.5686 8.384727 ?        ?        0.000000       8.384727 
1 1 1 -6  25 2  o 122.7594 11.76539 448.1615       83.66996 448.1615       83.66996 0.000000       0.000000 122.7594 11.76539 ?        ?        0.000000       11.76539 
1 1 1 -6  25 3  o 619.4008 9.307975 11286.50       338.1252 11712.11       433.0725 10621.96       541.1452 630.3816 11.71404 599.0243 15.41629 31.35730       19.36184 
1 1 1 -6  25 4  o 300.2088 9.918467 2655.462       174.3901 2655.462       174.3901 0.000000       0.000000 300.2088 9.918467 ?        ?        0.000000       9.918467 
1 1 1 -6  25 5  o 258.9793 7.277519 1972.290       110.4252 1937.372       135.0730 2042.654       191.7445 256.4843 8.993525 262.8566 12.47367 -6.372314      15.37778 
1 1 1 -6  25 6  o 222.9004 7.507029 1461.798       97.99622 1357.654       114.6872 1743.531       188.6324 214.6291 9.132077 242.6437 13.30646 -28.01466      16.13867 
1 1 1 -6  25 7  o 70.61797 17.27636 153.8194       70.95381 140.4834       82.56476 191.4851       138.7574 67.94691 19.62484 80.56020 25.89099 -12.61329      32.48811 
1 1 1 -6  25 8  o 133.9472 10.03766 531.2367       78.27922 551.5905       91.80893 477.0397       149.8132 136.2887 11.59617 124.7500 21.23682 11.53874       24.19657 
1 1 1 -6  25 9  o 91.20902 17.03928 254.6868       87.79563 254.6868       87.79563 0.000000       0.000000 91.20902 17.03928 ?        ?        0.000000       17.03928 
1 1 1 -6  25 10 o 126.8740 12.81786 480.1839       94.06934 518.9952       98.43081 71.12083       319.5563 131.9395 12.88455 88.04632 36.86541 43.89321       39.05215 
1 1 1 -6  25 11 o 64.09927 24.44570 88.48025       127.5956 0.000000       0.000000 88.48025       127.5956 ?        ?        64.09927 24.44570 0.000000       24.44570 
1 1 1 -6  25 12 o 413.7508 7.867004 5034.819       190.8968 5256.008       295.3283 4876.078       250.1896 421.7612 11.95160 406.5731 10.50132 15.18808       15.90970 
1 1 1 -6  25 13 o 279.6606 7.415548 2301.225       121.5183 2364.637       167.1239 2230.091       177.0074 283.0858 10.08240 274.7383 11.00783 8.347504       14.92739 
1 1 1 -6  25 14 o 515.7294 8.877810 7830.455       268.5210 7856.915       410.9366 7810.739       354.7262 515.0487 13.61624 514.3120 11.76024 0.7366943      17.99180 
1 1 1 -6  25 15 o 182.9572 8.956420 987.9459       95.81038 986.6113       121.4189 990.1483       155.9723 182.4685 11.40314 182.1679 14.72445 0.3005371      18.62366 
1 1 1 -6  25 16 o 170.8900 9.732023 863.3078       97.13400 795.0728       121.3977 984.7249       161.9371 163.4879 12.76223 181.5201 15.35538 -18.03226      19.96653 
1 1 1 -6  25 17 o 333.5678 7.803988 3273.069       152.6691 3250.420       213.9008 3296.588       217.9701 331.7170 11.01023 334.0378 11.14190 -2.320740      15.66420 
1 1 1 -6  25 18 o 459.1781 8.624527 6206.444       232.2560 5833.490       324.5131 6598.109       332.5538 444.0739 12.47259 472.4499 12.01180 -28.37598      17.31614 
1 1 1 -6  25 19 o 43.18374 18.99819 -23.38482      93.15041 -113.7878      113.9591 158.6307       161.7006 40.53070 19.00561 77.57352 27.88987 -37.04282      33.74994 
1 1 1 -6  25 20 f 208.5187 9.554760 1283.676       116.5358 1211.157       149.3833 1396.426       186.2670 202.0053 12.67309 216.5192 14.75681 -14.51387      19.45176 
1 1 1 -6  25 21 o 148.8748 14.47614 663.1772       124.7994 655.8619       146.7500 682.2918       237.2159 147.4170 17.30281 147.1346 28.52007 0.2824097      33.35838 
1 1 1 -6  25 22 o 343.8662 8.043870 3480.101       162.2202 3406.914       231.0986 3551.192       227.7658 339.3608 11.62859 346.5840 11.22024 -7.223236      16.15915 
1 1 1 -6  25 23 o 146.3500 13.85541 640.9288       117.5061 744.6392       141.1789 407.0872       211.9920 157.4732 15.48681 112.6759 31.07531 44.79732       34.72054 
1 1 1 -6  25 24 o 686.8835 10.92043 13944.71       439.9196 13241.64       650.7262 14536.51       597.0182 665.6722 16.68129 699.1768 14.55962 -33.50458      22.14154 
1 1 1 -6  25 25 o 135.5897 13.00364 550.6379       102.1392 460.6640       141.6049 648.2147       147.4665 121.9433 20.52865 146.0467 17.56917 -24.10335      27.02039 
1 1 1 -6  25 26 o 358.7507 9.596956 3804.474       201.7375 3835.382       252.9944 3750.505       334.3056 359.3912 12.02000 353.6113 16.16281 5.779907       20.14241 
1 1 1 -6  25 27 o 257.7984 8.241850 1962.164       124.4506 1718.970       172.6840 2224.977       179.5142 240.2633 12.29592 273.7664 11.20435 -33.50305      16.63512 
1 1 1 -6  25 28 o 104.2286 16.39201 333.6194       96.89582 125.2615       138.9012 531.1238       135.2351 69.65324 25.72485 131.5443 18.00109 -61.89109      31.39757 
1 1 1 -6  25 29 o 314.8732 7.970311 2927.906       147.0660 2894.248       206.5637 2962.506       209.4313 311.9480 11.30943 315.6002 11.33338 -3.652222      16.01089 
1 1 1 -6  25 30 o 213.6242 9.021575 1353.004       112.7729 1389.565       161.7370 1318.411       157.3244 215.2916 12.86821 209.6930 12.85445 5.598526       18.18867 
1 1 1 -6  25 31 o 110.4075 13.00777 370.2792       82.61250 328.9535       118.4430 409.4302       115.2844 101.4451 20.61182 114.5871 17.72648 -13.14200      27.18594 
1 1 1 -6  25 32 o 81.48948 16.78910 210.0851       77.56687 226.6477       113.9920 195.8034       105.8520 83.13342 22.73166 77.58994 22.16181 5.543480       31.74703 
1 1 1 -6  25 33 o 63.44631 22.14168 120.2884       101.2735 116.1949       460.1243 120.4968       103.8195 92.36146 41.33394 63.69866 22.40426 28.66280       47.01537 
1 1 1 -6  25 34 o 50.89492 19.15286 65.23977       77.70758 64.11904       477.3875 65.27027       78.75798 89.59170 40.89422 51.06379 19.26758 38.52790       45.20594 
1 1 1 -6  25 35 o 95.83540 23.27530 310.9213       129.5002 0.000000       0.000000 310.9213       129.5002 ?        ?        95.83540 23.27530 0.000000       23.27530 
1 1 1 -6  25 36 o 90.20597 23.56684 279.6492       126.0263 42.34030       489.2298 296.5160       130.4281 86.41202 40.13944 92.77083 23.84356 -6.358810      46.68715 
1 1 1 -6  25 37 o 44.21499 18.63819 19.76137       82.54330 -85.44233      111.8346 145.6565       122.3391 40.42023 18.91309 67.58118 24.26375 -27.16095      30.76418 
1 1 1 -6  25 38 o 41.34817 18.14902 -5.771023      84.56520 54.72815       111.3386 -88.25819      130.0063 53.62219 22.04300 43.79547 20.45953 9.826721       30.07467 
1 1 1 -6  25 39 o 36.59623 17.10026 -68.92770      90.90495 -72.18254      126.1283 -65.40929      131.1359 43.94678 20.40250 45.37706 20.97458 -1.430275      29.26081 
1 1 1 -6  25 40 f 114.2792 15.89082 420.1581       103.6262 374.2542       141.0906 473.9240       152.6954 102.2471 23.95113 116.0625 23.24393 -13.81547      33.37569 
1 1 1 -6  25 41 o 108.9274 16.16247 384.8479       100.1247 411.3626       133.2786 350.4978       151.6985 108.7902 21.65082 96.67834 26.13520 12.11184       33.93827 
1 1 1 -6  25 42 o 47.22507 20.87158 2.146553       113.6476 101.2278       156.5911 -108.1261      165.1982 62.54266 25.96654 47.66488 22.51474 14.87778       34.36822 
1 1 1 -6  25 43 o 45.52229 20.79748 -36.03432      123.8347 -171.7451      176.6821 95.00630       173.6155 46.00948 22.15225 63.09497 26.83262 -17.08549      34.79528 
1 1 1 -6  26 1  o 407.0849 11.34876 4889.095       270.6823 4889.095       270.6823 0.000000       0.000000 407.0849 11.34876 ?        ?        0.000000       11.34876 
1 1 1 -6  26 2  o 502.9467 10.21209 7449.775       301.2224 7854.831       458.4797 7142.140       399.5584 514.8726 15.20007 491.3645 13.87910 23.50809       20.58328 
1 1 1 -6  26 3  o 786.1938 20.25589 18448.37       933.1888 18448.37       933.1888 0.000000       0.000000 786.1938 20.25589 ?        ?        0.000000       20.25589 
1 1 1 -6  26 4  o 213.7266 19.40824 1371.486       240.6238 1371.486       240.6238 0.000000       0.000000 213.7266 19.40824 ?        ?        0.000000       19.40824 
1 1 1 -6  26 5  o 102.0621 13.04992 312.5883       76.32826 221.0933       85.60320 667.5043       168.5986 84.71213 17.79711 148.3654 19.87584 -63.65332      26.67932 
1 1 1 -6  26 6  o 392.4435 7.458054 4527.324       171.6537 4728.447       219.9091 4213.692       274.6141 400.7838 9.355832 377.5865 12.41787 23.19733       15.54783 
1 1 1 -6  26 7  o 99.55563 14.34278 299.1889       81.33035 271.5917       95.66268 371.1500       154.4752 94.03558 18.00145 108.9312 24.74521 -14.89559      30.60029 
1 1 1 -6  26 8  o 152.1446 9.471478 684.2344       84.09411 651.7106       98.12202 774.2155       163.2082 148.2040 11.37599 160.4037 17.63991 -12.19968      20.98999 
1 1 1 -6  26 9  o 378.8480 16.59335 4272.009       367.7857 4272.009       367.7857 0.000000       0.000000 378.8480 16.59335 ?        ?        0.000000       16.59335 
1 1 1 -6  26 10 o 127.7288 29.56350 517.3724       217.0758 573.6778       280.2353 432.9017       343.2422 133.4546 35.27595 119.5855 40.80522 13.86903       53.93940 
1 1 1 -6  26 11 o 353.6987 9.752725 3688.611       202.1135 3700.067       225.5027 3641.817       455.7342 354.0136 10.87418 347.3940 22.48945 6.619659       24.98046 
1 1 1 -6  26 12 o 100.3677 39.71199 208.7590       346.4685 0.000000       0.000000 208.7590       346.4685 ?        ?        100.3677 39.71199 0.000000       39.71199 
1 1 1 -6  26 13 o 326.8151 22.13839 3224.537       421.8208 0.000000       0.000000 3224.537       421.8208 ?        ?        326.8151 22.13839 0.000000       22.13839 
1 1 1 -6  26 14 o 177.4635 11.13557 933.0256       115.3127 921.7434       123.1647 1013.142       328.2083 176.2401 11.98737 178.6776 32.51810 -2.437515      34.65723 
1 1 1 -6  26 15 o 232.1131 8.100060 1587.134       110.0962 1484.470       139.9994 1753.528       178.2322 224.0858 10.68351 243.2362 12.53647 -19.15038      16.47120 
1 1 1 -6  26 16 o 443.1600 8.459444 5780.170       219.8634 5843.792       328.5551 5728.576       295.8740 444.4185 12.61843 440.3547 11.46630 4.063751       17.04995 
1 1 1 -6  26 17 o 201.4697 10.14383 1199.511       119.4710 1233.406       155.2169 1150.238       187.1409 203.7941 13.05531 196.0447 16.42750 7.749451       20.98342 
1 1 1 -6  26 18 o 355.4445 8.216855 3717.636       171.2884 3484.664       232.1429 3996.054       253.7770 343.3604 11.54444 367.6591 11.78468 -24.29877      16.49705 
1 1 1 -6  26 19 o 74.77088 22.17186 170.8664       104.1902 116.2843       130.0051 268.8733       174.2061 68.16440 24.93573 93.50150 28.87379 -25.33710      38.15084 
1 1 1 -6  26 20 o 162.3746 11.03613 781.8337       104.4712 706.4565       129.8736 920.0325       175.8543 153.6513 14.58706 174.8651 17.37713 -21.21387      22.68804 
1 1 1 -6  26 21 o 71.36599 21.88232 154.2452       100.2729 44.46329       124.8391 353.8460       168.3319 57.79751 23.50013 105.6189 27.05708 -47.82141      35.83772 
1 1 1 -6  26 22 o 283.0396 8.396417 2361.678       139.2231 2302.771       186.2967 2436.193       209.5267 278.8573 11.41542 286.5600 12.49738 -7.702698      16.92620 
1 1 1 -6  26 23 o 309.7015 9.744403 2833.625       176.7699 2763.672       211.3484 2996.499       322.4944 305.3152 11.82557 315.9277 17.47346 -10.61246      21.09895 
1 1 1 -6  26 24 o 145.6837 12.83251 634.8085       108.5215 645.4944       146.4689 621.8026       161.5876 145.7180 17.48783 142.2466 19.91425 3.471375       26.50286 
1 1 1 -6  26 25 o 141.2852 12.70497 597.5960       104.1508 537.3245       140.6182 670.8408       155.0150 132.3302 18.63428 148.2495 18.21130 -15.91927      26.05548 
1 1 1 -6  26 26 o 111.9670 16.10932 382.9729       102.7427 405.4535       139.4392 356.2708       151.9681 113.5895 21.72266 105.4433 24.96353 8.146172       33.09157 
1 1 1 -6  26 27 o 110.6634 16.30508 375.1401       102.6545 228.0443       144.1715 526.4055       146.2006 85.13020 26.26332 130.3535 19.74114 -45.22328      32.85536 
1 1 1 -6  26 28 o 150.2803 12.13416 676.4161       106.0368 577.6461       156.4597 760.3207       144.2059 136.2503 20.19017 158.3027 15.74095 -22.05243      25.60118 
1 1 1 -6  26 29 o 306.5794 7.941949 2778.058       142.6773 2786.196       201.3572 2769.852       202.1976 305.8227 11.24572 304.8884 11.32767 0.9343567      15.96190 
1 1 1 -6  26 30 o 309.6627 7.808843 2836.935       141.7031 2992.530       204.0870 2692.101       196.9030 316.6779 11.00545 300.2484 11.20168 16.42950       15.70343 
1 1 1 -6  26 31 o 219.6642 8.274224 1432.261       106.4045 1413.161       150.9748 1451.112       149.9876 216.7912 11.92029 219.8000 11.67719 -3.008865      16.68682 
1 1 1 -6  26 32 o 46.33961 18.68177 36.32897       78.13535 14.83802       115.3140 54.57169       106.2427 50.94049 21.77196 54.11238 21.79525 -3.171898      30.80667 
1 1 1 -6  26 33 o 65.47032 22.34772 132.9051       102.9539 -378.9561      484.6077 157.0995       105.3590 75.36956 36.38776 69.82974 22.57156 5.539818       42.81991 
1 1 1 -6  26 34 o 48.77287 19.13912 51.31114       79.88821 244.0346       479.8988 45.81819       81.01869 96.34933 42.72053 48.10300 19.14842 48.24633       46.81566 
1 1 1 -6  26 35 o 115.5428 13.35752 412.5406       88.84987 339.9543       472.2186 415.2046       90.46563 98.72657 43.12164 115.8246 13.57509 -17.09801      45.20795 
1 1 1 -6  26 36 o 95.44525 24.17247 318.3167       135.4309 0.000000       0.000000 318.3167       135.4309 ?        ?        95.44525 24.17247 0.000000       24.17247 
1 1 1 -6  26 37 o 55.80137 20.02013 92.94897       83.27168 148.3052       108.1681 12.41255       130.4704 67.07782 22.90641 52.06203 22.70425 15.01579       32.25192 
1 1 1 -6  26 38 o 92.25166 17.48779 279.0828       91.15318 283.7285       119.0979 272.5130       141.6306 90.11478 22.58267 86.48297 25.90044 3.631805       34.36291 
1 1 1 -6  26 39 o 158.8353 10.96610 771.4956       101.5256 818.5847       132.5480 704.6545       157.9194 161.4873 14.13782 146.1184 18.86809 15.36884       23.57717 
1 1 1 -6  26 40 o 120.2622 14.28572 458.4112       98.79212 420.1193       130.2967 510.1927       151.5189 110.6503 20.84291 121.0977 22.15040 -10.44740      30.41492 
1 1 1 -6  26 41 o 47.27333 20.53371 15.31492       105.8235 1.595676       143.1683 31.83755       157.1164 51.87934 23.14796 56.25797 24.71437 -4.378628      33.86190 
1 1 1 -6  26 42 o 117.0936 18.34062 459.2743       121.8182 457.3091       168.1838 461.4431       176.6841 109.6446 26.45980 108.9366 27.62075 0.7079315      38.24954 
1 1 1 -6  26 43 o 50.04321 21.99937 16.37614       124.6891 368.2572       176.2836 -335.9314      176.3904 94.94073 28.99554 39.49387 19.62762 55.44686       35.01406 
1 1 1 -6  27 1  o 241.0723 8.225427 1711.566       116.1234 1711.566       116.1234 0.000000       0.000000 241.0723 8.225427 ?        ?        0.000000       8.225427 
1 1 1 -6  27 2  o 231.0742 7.165793 1571.042       96.99313 1468.792       109.4093 1946.394       209.6254 223.2813 8.369912 256.0802 14.01120 -32.79890      16.32082 
1 1 1 -6  27 3  o 382.7711 7.145038 4306.748       160.3962 4162.557       188.2667 4688.497       306.3324 376.1150 8.534976 398.0199 13.14115 -21.90494      15.66958 
1 1 1 -6  27 4  o 303.2873 8.408311 2708.476       149.4150 2708.476       149.4150 0.000000       0.000000 303.2873 8.408311 ?        ?        0.000000       8.408311 
1 1 1 -6  27 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  27 6  o 106.4044 13.44612 340.1024       82.03848 350.8944       94.36432 306.6971       166.0215 107.7254 15.37163 98.94103 27.58168 8.784340       31.57588 
1 1 1 -6  27 7  o 140.0457 10.69363 581.6771       87.16631 611.1957       101.3068 497.5223       171.0529 143.3439 12.16540 126.5521 23.92308 16.79181       26.83860 
1 1 1 -6  27 8  o 117.4014 12.31942 411.6098       83.56108 340.7845       98.68804 590.9922       157.0580 105.8945 16.42209 139.3026 19.77967 -33.40810      25.70837 
1 1 1 -6  27 9  o 187.1051 9.099154 1033.323       99.54810 1060.285       118.1851 967.4775       184.6909 189.3041 10.68858 179.3586 17.79219 9.945465       20.75591 
1 1 1 -6  27 10 o 324.4980 8.751506 3102.151       166.3982 3150.835       179.8362 2812.428       438.7060 326.9221 9.389283 303.9998 24.82240 22.92227       26.53884 
1 1 1 -6  27 11 o 272.4792 7.395166 2184.896       118.0674 2383.688       154.9497 1909.695       182.3126 284.3251 9.304873 253.9165 12.27905 30.40852       15.40635 
1 1 1 -6  27 12 o 120.2788 43.78469 413.7921       400.1128 0.000000       0.000000 413.7921       400.1128 ?        ?        120.2788 43.78469 0.000000       43.78469 
1 1 1 -6  27 13 o 260.6171 8.138596 2000.455       124.2425 2098.770       165.4814 1873.436       188.0935 266.5487 10.60694 251.3810 12.80038 15.16769       16.62399 
1 1 1 -6  27 14 o 217.9012 10.80856 1404.063       137.6956 1365.851       146.0049 1711.401       414.0719 214.7650 11.63532 234.1904 30.90115 -19.42537      33.01912 
1 1 1 -6  27 15 o 127.9917 16.79188 495.2404       123.0096 565.3345       130.2010 -87.22160      375.3248 136.9409 16.54688 84.59829 37.62979 52.34264       41.10719 
1 1 1 -6  27 16 o 225.6179 9.341443 1501.897       123.3382 1464.856       156.3571 1562.911       200.6742 222.3622 12.03448 229.0677 15.02034 -6.705521      19.24680 
1 1 1 -6  27 17 o 105.2286 18.77213 340.1162       111.6005 150.2270       137.3369 709.2597       191.4849 73.90341 25.78478 152.1254 22.10938 -78.22198      33.96586 
1 1 1 -6  27 18 o 327.8153 8.377985 3165.269       160.9398 3261.243       225.7897 3066.147       229.4610 332.0774 11.61136 321.8421 12.17867 10.23526       16.82688 
1 1 1 -6  27 19 o 271.6147 8.429040 2174.208       134.1084 1947.882       172.7044 2517.949       212.8391 256.5111 11.50944 291.4749 12.47975 -34.96384      16.97680 
1 1 1 -6  27 20 o 53.17467 21.32599 43.35889       101.2542 7.889236       126.5521 106.4592       168.7939 53.96024 22.92690 71.76039 27.91833 -17.80015      36.12584 
1 1 1 -6  27 21 o 130.3883 13.57794 509.7856       102.3108 459.4225       126.2773 606.0129       174.5493 122.6337 18.10103 140.0409 21.97527 -17.40717      28.47033 
1 1 1 -6  27 22 o 258.6638 8.983167 1975.698       136.0680 1937.395       186.4163 2019.376       199.0641 255.3147 12.48755 260.5078 13.07108 -5.193130      18.07738 
1 1 1 -6  27 23 o 103.2992 18.30605 329.8604       106.8432 219.6289       138.7184 490.6239       167.5231 84.01198 25.73345 124.7986 23.75587 -40.78665      35.02216 
1 1 1 -6  27 24 o 283.8033 8.431102 2377.876       140.1750 2293.794       195.2150 2467.375       201.4045 277.7726 12.01161 288.1307 11.94461 -10.35815      16.93967 
1 1 1 -6  27 25 o 90.77512 21.38070 260.8063       111.9361 337.6994       133.0907 74.93665       206.9229 103.1742 22.61999 72.76807 29.99616 30.40617       37.56905 
1 1 1 -6  27 26 o 236.9883 9.003048 1661.862       124.9041 1719.938       173.5358 1599.434       179.9192 240.1537 12.36270 231.2527 13.32239 8.901062       18.17477 
1 1 1 -6  27 27 f 266.0019 8.589537 2093.031       133.8244 2067.519       192.6084 2116.842       186.0732 263.0957 12.51868 266.4413 11.93813 -3.345551      17.29845 
1 1 1 -6  27 28 o 205.6453 9.420068 1255.563       113.3100 1155.255       164.7681 1345.565       156.0742 195.6019 14.46551 211.8853 12.61685 -16.28336      19.19468 
1 1 1 -6  27 29 o 334.9316 8.263417 3320.569       162.3179 3469.829       240.1368 3195.002       220.2541 340.3903 12.04804 326.9159 11.50575 13.47437       16.65946 
1 1 1 -6  27 30 o 221.9060 8.669305 1463.502       112.6075 1525.434       167.1741 1412.061       152.3574 224.8467 12.72945 216.6276 12.03957 8.219162       17.52113 
1 1 1 -6  27 31 o 48.41172 19.41738 42.34607       83.94852 209.2543       129.5662 -78.41949      110.2108 79.57468 24.95337 41.22913 19.11698 38.34555       31.43453 
1 1 1 -6  27 32 o 187.6841 8.798387 1051.001       96.57628 994.3910       136.2219 1108.210       136.9399 180.7540 12.93568 191.2034 12.27679 -10.44942      17.83400 
1 1 1 -6  27 33 o 137.1116 10.94918 568.6475       87.31432 644.0474       131.8923 509.8216       116.4978 143.6369 15.92400 127.6401 15.90678 15.99683       22.50776 
1 1 1 -6  27 34 o 153.7151 13.59269 727.6454       121.2769 95.78026       480.5728 770.6229       125.3335 88.32463 40.58218 158.1913 13.64250 -69.86667      42.81391 
1 1 1 -6  27 35 o 147.3113 11.17662 660.3207       95.83935 347.1897       464.1034 674.2687       97.95061 96.69727 42.47799 148.8034 11.30858 -52.10614      43.95752 
1 1 1 -6  27 36 o 175.8875 14.83087 967.5444       151.5621 0.000000       0.000000 967.5444       151.5621 ?        ?        175.8875 14.83087 0.000000       14.83087 
1 1 1 -6  27 37 o 164.5798 9.984137 820.4032       95.91577 723.9727       121.4123 980.5056       156.4424 152.4229 13.72892 176.3493 15.27674 -23.92644      20.53928 
1 1 1 -6  27 38 o 96.26473 17.83167 305.9997       96.96574 366.5105       126.1109 218.4914       151.6564 103.0834 21.55448 77.58940 27.09404 25.49400       34.62200 
1 1 1 -6  27 39 o 40.39830 18.28953 -29.19855      93.09035 -34.14550      127.4123 -23.53407      136.3399 46.70993 21.24560 49.06531 22.18141 -2.355381      30.71466 
1 1 1 -6  27 40 o 55.47478 21.55380 85.74838       100.5023 26.67807       136.5096 155.6619       148.5111 53.20623 23.21314 68.33949 26.29504 -15.13327      35.07534 
1 1 1 -6  27 41 o 109.4806 18.51056 403.0256       114.6200 357.8770       154.3613 458.5139       171.1264 96.57386 26.47068 109.4442 26.86350 -12.87036      37.71399 
1 1 1 -6  27 42 o 64.53402 23.60666 142.0026       116.5140 241.8788       162.2417 35.63346       167.4324 78.71899 27.97777 57.28629 25.32514 21.43270       37.73749 
1 1 1 -6  28 1  o 358.8018 8.432717 3788.625       177.4486 3752.186       221.7788 3853.456       295.8236 356.5450 10.61792 360.4623 14.02011 -3.917328      17.58703 
1 1 1 -6  28 2  o 257.7859 8.612953 1958.130       130.0324 1958.130       130.0324 0.000000       0.000000 257.7859 8.612953 ?        ?        0.000000       8.612953 
1 1 1 -6  28 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  28 4  o 472.0288 7.929090 6554.629       219.5039 6780.100       276.2334 6168.338       361.5666 479.6698 9.819363 456.3230 13.52524 23.34677       16.71383 
1 1 1 -6  28 5  o 608.8269 9.338421 10917.97       333.4401 10607.51       393.2363 11712.37       629.0194 599.5300 11.18387 627.0845 17.11961 -27.55457      20.44897 
1 1 1 -6  28 6  o 121.4852 14.02631 442.7574       98.10201 442.7574       98.10201 0.000000       0.000000 121.4852 14.02631 ?        ?        0.000000       14.02631 
1 1 1 -6  28 7  o 235.8471 20.97139 1680.224       287.0520 1680.224       287.0520 0.000000       0.000000 235.8471 20.97139 ?        ?        0.000000       20.97139 
1 1 1 -6  28 8  o 94.19407 17.53564 272.4459       93.30762 286.5064       107.4415 229.3020       188.2052 96.20728 19.70547 88.96552 30.21807 7.241753       36.07544 
1 1 1 -6  28 9  o 183.8798 16.76813 1013.834       178.8419 684.3577       298.1619 1198.986       223.5136 145.4333 35.31481 199.4045 19.35573 -53.97127      40.27134 
1 1 1 -6  28 10 o 457.9186 7.739076 6167.902       207.8394 6427.937       283.5967 5866.189       305.4804 466.9031 10.35676 445.5463 11.70082 21.35684       15.62599 
1 1 1 -6  28 11 o 131.1870 12.56882 513.2999       95.52071 464.5327       115.4240 619.2813       170.1559 124.0090 16.26205 142.2938 21.02174 -18.28482      26.57758 
1 1 1 -6  28 12 o 291.5609 7.754082 2502.182       132.4721 2663.021       176.1276 2292.672       201.0179 300.4195 10.01050 278.2626 12.34845 22.15689       15.89636 
1 1 1 -6  28 13 o 109.6958 17.94174 367.4930       111.4398 388.3452       115.4149 80.32285       428.3070 112.8076 18.05362 99.37846 42.19951 13.42912       45.89915 
1 1 1 -6  28 14 o 516.4087 8.272734 7847.567       250.5492 7697.808       328.0609 8057.184       388.1244 510.7833 10.95134 522.0260 12.67734 -11.24271      16.75252 
1 1 1 -6  28 15 o 171.8471 14.51127 881.5727       144.8852 966.6021       154.1544 237.6287       424.2241 179.9503 14.73567 108.6839 43.62982 71.26637       46.05107 
1 1 1 -6  28 16 o 289.6116 8.638798 2471.660       146.5663 2569.738       197.2147 2350.658       219.0531 294.7690 11.42959 281.4744 13.30735 13.29462       17.54198 
1 1 1 -6  28 17 o 167.5143 11.78107 833.3394       115.0029 858.7271       141.0595 783.0150       198.6000 169.5591 14.31876 159.9359 21.73493 9.623169       26.02756 
1 1 1 -6  28 18 o 77.65323 22.24457 186.6726       106.4932 183.7007       130.8731 192.4966       183.2092 78.31141 25.14238 83.60309 29.72896 -5.291679      38.93521 
1 1 1 -6  28 19 o 138.1604 13.56970 571.5835       108.5353 681.4047       133.2923 355.4986       186.9710 150.5709 15.30686 105.5506 29.21240 45.02034       32.97976 
1 1 1 -6  28 20 o 211.8594 9.892704 1327.914       122.5780 1239.742       154.2751 1478.882       201.8707 204.0367 12.95948 222.1937 15.59035 -18.15704      20.27331 
1 1 1 -6  28 21 o 185.6183 10.79989 1022.582       117.0606 934.9830       144.6159 1189.057       199.3619 176.7118 14.07014 198.4340 17.30361 -21.72223      22.30211 
1 1 1 -6  28 22 o 157.7090 14.68477 748.0280       134.2625 695.6039       155.3443 902.8115       266.9268 151.1224 17.87282 168.4015 28.01039 -17.27910      33.22680 
1 1 1 -6  28 23 o 175.5329 11.51325 917.5129       117.8699 859.8082       151.6097 1005.689       187.4113 168.8528 15.48191 181.9566 17.78913 -13.10385      23.58267 
1 1 1 -6  28 24 o 125.2913 15.36407 476.6151       110.5356 578.5931       149.4359 353.4091       164.2546 137.0521 19.11068 104.5300 26.70061 32.52215       32.83505 
1 1 1 -6  28 25 o 75.13829 22.29293 176.7997       105.3081 217.2246       144.1670 130.5558       154.1946 83.31816 26.34826 71.91168 26.99717 11.40648       37.72370 
1 1 1 -6  28 26 o 114.5953 16.04360 402.7169       104.8745 393.8993       150.7471 410.9876       145.9970 110.6508 23.92742 113.5115 22.72416 -2.860710      32.99862 
1 1 1 -6  28 27 o 412.3391 9.975453 5046.000       241.2335 5135.518       312.9460 4914.920       378.6904 414.1332 12.90057 402.8476 16.06069 11.28558       20.60026 
1 1 1 -6  28 28 o 133.5056 12.50725 538.6225       96.78892 423.2112       141.6901 639.5923       132.5290 114.7171 21.85796 144.3281 15.92130 -29.61100      27.04179 
1 1 1 -6  28 29 o 218.9268 8.921434 1426.042       114.3071 1423.349       163.4272 1428.620       159.9386 217.0266 12.89805 217.5821 12.58744 -0.5554504     18.02230 
1 1 1 -6  28 30 o 85.32842 18.05482 233.5975       87.52876 267.3162       134.4113 208.7705       115.3356 89.04553 24.81529 79.42429 23.26893 9.621239       34.01826 
1 1 1 -6  28 31 o 278.2379 8.258930 2303.037       134.6200 2398.199       196.8515 2219.433       184.5102 281.7589 11.93978 271.2430 11.62571 10.51584       16.66480 
1 1 1 -6  28 32 o 131.6030 12.06488 527.6071       92.08411 517.8709       142.2593 534.6284       120.8077 126.5505 19.81745 130.6317 16.10958 -4.081207      25.53918 
1 1 1 -6  28 33 f 92.22215 15.96923 270.4356       83.24471 232.9612       128.9084 297.2414       109.0254 82.23416 24.72855 94.76989 20.23169 -12.53573      31.95031 
1 1 1 -6  28 34 o 82.14268 21.61572 229.6128       105.5246 228.4265       492.6097 229.6699       108.0324 92.07602 41.83879 81.99898 22.00696 10.07704       47.27357 
1 1 1 -6  28 35 o 51.25773 19.65593 67.04286       82.79167 -547.0106      479.3450 85.92434       84.05492 67.33964 33.26792 54.65490 20.04124 12.68474       38.83820 
1 1 1 -6  28 36 f 150.7894 11.50342 696.1605       100.9620 -180.5891      490.8907 734.8856       103.1676 75.91663 36.64472 154.9880 11.43040 -79.07133      38.38606 
1 1 1 -6  28 37 o 50.01159 22.38635 -12.81686      135.0479 198.6712       480.0367 -30.99384      140.7319 85.99933 39.88329 49.47109 22.43321 36.52824       45.75944 
1 1 1 -6  28 38 o 144.4910 11.96407 645.4926       100.4761 633.0990       131.7373 662.7282       155.3550 140.0641 16.34414 140.9186 19.30469 -0.8544769     25.29430 
1 1 1 -6  28 39 f 58.51606 21.48428 107.1941       96.64363 -34.06789      126.1842 307.6335       150.3086 46.36655 21.11025 89.89529 26.62398 -43.52875      33.97762 
1 1 1 -6  28 40 o 143.3428 13.57626 648.3118       112.7716 570.0164       148.3087 755.6312       173.6353 129.0463 20.26304 148.6152 20.46432 -19.56885      28.79895 
1 1 1 -6  28 41 o 112.3223 18.01470 422.0690       114.6605 330.6195       155.1158 532.2305       170.2473 92.02554 26.99169 119.9712 25.00825 -27.94565      36.79624 
1 1 1 -6  29 1  o 153.7336 12.32949 702.8186       110.2327 702.8186       110.2327 0.000000       0.000000 153.7336 12.32949 ?        ?        0.000000       12.32949 
1 1 1 -6  29 2  o 214.4291 8.402261 1355.249       105.4603 1272.929       116.0546 1745.378       252.6463 207.6458 9.555528 241.3370 17.97918 -33.69122      20.36073 
1 1 1 -6  29 3  o 277.5524 7.750253 2267.695       126.0335 2256.930       144.2490 2302.425       259.1009 276.7228 8.899849 277.9548 15.96152 -1.231995      18.27505 
1 1 1 -6  29 4  o 232.1363 9.536127 1590.200       129.5508 1590.200       129.5508 0.000000       0.000000 232.1363 9.536127 ?        ?        0.000000       9.536127 
1 1 1 -6  29 5  o 218.7604 9.074224 1411.654       116.1675 1312.441       134.9180 1696.039       228.4217 210.6290 10.95968 238.3018 16.44489 -27.67288      19.76231 
1 1 1 -6  29 6  o 154.9688 10.70366 711.6783       96.68312 749.9269       109.7867 579.5273       204.0692 158.9120 11.86558 136.0138 26.53570 22.89816       29.06777 
1 1 1 -6  29 7  o 400.4609 7.986165 4718.029       187.5638 5010.415       238.6315 4245.423       303.3885 412.3287 9.868100 378.4387 13.69208 33.89005       16.87757 
1 1 1 -6  29 8  o 398.7690 9.950444 4686.617       232.7097 4686.617       232.7097 0.000000       0.000000 398.7690 9.950444 ?        ?        0.000000       9.950444 
1 1 1 -6  29 9  o 70.09530 32.37092 -215.1055      311.3300 -215.1055      311.3300 0.000000       0.000000 70.09530 32.37092 ?        ?        0.000000       32.37092 
1 1 1 -6  29 10 o 249.9905 10.51682 1846.162       153.8465 1898.845       161.7784 1348.094       497.4310 253.4684 10.90848 201.7943 43.32629 51.67412       44.67844 
1 1 1 -6  29 11 o 266.7561 10.07499 2100.445       157.3361 2063.125       164.0059 2531.483       557.3734 264.2787 10.60301 283.7783 34.17738 -19.49960      35.78431 
1 1 1 -6  29 12 o 418.9891 8.053204 5165.291       197.8891 5007.035       251.5700 5422.148       320.4984 411.9224 10.42178 427.9984 12.78263 -16.07602      16.49269 
1 1 1 -6  29 13 o 210.5378 9.845062 1309.322       121.2257 1163.604       145.0931 1646.217       220.6166 197.9842 12.56061 234.7902 16.11947 -36.80600      20.43541 
1 1 1 -6  29 14 o 161.5886 13.57856 778.7036       127.4919 802.2166       133.6209 539.8929       425.8412 163.9347 14.03287 131.4032 45.42899 32.53145       47.54697 
1 1 1 -6  29 15 o 325.2148 8.059277 3112.995       153.7152 3080.095       197.2181 3163.915       245.3534 322.9225 10.42720 326.6889 12.83077 -3.766357      16.53345 
1 1 1 -6  29 16 o 151.7322 13.19627 687.2275       116.2633 623.2706       138.0746 843.0682       215.5315 143.6625 16.69858 165.5630 22.80204 -21.90053      28.26262 
1 1 1 -6  29 17 o 336.3878 8.531139 3335.753       168.1695 3328.176       226.7546 3345.015       250.6992 335.2720 11.54935 335.7672 12.75424 -0.4951782     17.20634 
1 1 1 -6  29 18 o 118.8261 17.05651 430.2682       115.4617 567.2708       138.9985 125.3116       207.3790 136.5522 17.77815 78.30743 30.80390 58.24473       35.56603 
1 1 1 -6  29 19 o 111.2608 17.09503 378.8305       107.9850 320.5483       129.9252 509.0300       194.1915 100.8101 22.54181 126.2176 27.04723 -25.40755      35.20917 
1 1 1 -6  29 20 o 246.4757 9.410548 1796.415       135.7816 1717.326       171.8536 1927.815       221.5119 240.2868 12.23517 253.7606 14.95033 -13.47379      19.31869 
1 1 1 -6  29 21 o 114.4523 18.31303 403.8033       118.7812 411.6269       147.8398 389.5558       199.5053 114.1901 22.87358 109.3441 30.14225 4.846077       37.83855 
1 1 1 -6  29 22 o 191.7796 12.27850 1097.048       137.3760 972.8503       154.3203 1571.272       301.5483 179.8635 14.75922 225.2286 23.15841 -45.36511      27.46173 
1 1 1 -6  29 23 o 113.7519 18.33518 400.1489       118.1616 418.9067       159.1224 377.0899       176.4254 114.4451 24.44996 107.6168 27.76821 6.828300       36.99830 
1 1 1 -6  29 24 o 144.4133 14.86810 631.4069       124.1280 591.8695       153.8990 705.0052       209.9739 138.2163 19.52915 148.7730 24.94759 -10.55675      31.68233 
1 1 1 -6  29 25 o 88.56696 21.32918 250.7861       109.4598 379.4171       151.8867 111.7921       157.8865 108.2379 24.49993 69.66821 27.02997 38.56969       36.48103 
1 1 1 -6  29 26 o 108.6499 16.15172 364.5896       99.79374 409.0558       141.2027 320.2152       141.0567 112.9821 22.10195 98.94794 24.45050 14.03412       32.95942 
1 1 1 -6  29 27 o 182.0625 10.11299 989.5919       107.5575 932.3634       150.5234 1049.297       153.7464 174.9305 14.81102 185.9130 14.20848 -10.98245      20.52431 
1 1 1 -6  29 28 o 208.9649 9.067203 1300.536       110.8568 1209.973       156.3850 1392.009       157.1683 199.7084 13.43015 214.7148 12.53561 -15.00639      18.37145 
1 1 1 -6  29 29 o 49.57974 19.79852 46.74207       86.88380 121.3085       129.7185 -13.92623      117.0068 66.14945 24.77692 48.25192 21.25772 17.89753       32.64639 
1 1 1 -6  29 30 o 256.3402 8.199021 1955.020       123.1035 1854.438       175.9760 2051.413       172.2723 247.5243 12.15951 260.9253 11.28435 -13.40096      16.58886 
1 1 1 -6  29 31 o 90.18135 17.48993 261.3158       89.16406 242.4656       134.4983 276.0958       119.0960 84.11797 25.25086 90.55259 22.51988 -6.434624      33.83417 
1 1 1 -6  29 32 o 131.2478 12.13178 526.6096       92.32637 653.9827       146.4394 442.5755       118.9451 143.2221 17.81823 117.5057 17.81805 25.71635       25.19865 
1 1 1 -6  29 33 o 129.6189 12.18111 515.5988       91.51356 536.6127       141.0355 500.3174       120.2701 128.1567 19.36817 125.2452 16.79674 2.911499       25.63702 
1 1 1 -6  29 34 o 51.95450 19.83121 70.22884       84.01778 219.3358       139.5716 -14.50858      105.2170 78.90568 26.01016 44.91440 19.95413 33.99128       32.78255 
1 1 1 -6  29 35 o 109.4115 15.05752 379.7971       94.06037 -121.7238      538.9761 395.5512       95.52630 79.86396 38.51212 111.7467 14.95077 -31.88271      41.31234 
1 1 1 -6  29 36 o 124.6869 13.64594 487.3700       98.15943 1084.129       539.9960 466.9773       99.82252 128.5954 49.96172 121.6717 14.25927 6.923683       51.95671 
1 1 1 -6  29 37 o 107.6760 24.34393 418.3543       150.1091 0.000000       0.000000 418.3543       150.1091 ?        ?        107.6760 24.34393 0.000000       24.34393 
1 1 1 -6  29 38 o 49.81953 20.50800 48.60765       96.54511 27.51476       125.6964 78.95453       150.7689 51.81821 22.44394 60.06177 25.24630 -8.243557      33.78026 
1 1 1 -6  29 39 o 70.06420 22.86775 175.1403       107.9967 207.5481       130.9224 106.1327       191.0459 74.90510 25.20423 65.54300 28.01865 9.362099       37.68684 
1 1 1 -6  29 40 o 104.6801 19.33326 373.9622       114.3202 427.7456       144.1277 282.7202       187.7246 108.7899 23.29217 83.29513 30.03721 25.49473       38.00999 
1 1 1 -6  30 1  o 281.6917 8.159415 2336.649       134.6560 2211.165       146.4874 3020.681       342.0135 273.8704 9.132982 317.7188 18.43397 -43.84836      20.57237 
1 1 1 -6  30 2  o 267.9494 9.525349 2117.694       149.4489 2117.694       149.4489 0.000000       0.000000 267.9494 9.525349 ?        ?        0.000000       9.525349 
1 1 1 -6  30 3  o 132.3649 14.89661 525.8714       113.6352 435.4603       125.3917 941.3262       268.7942 119.5021 18.48766 174.0801 27.21897 -54.57803      32.90389 
1 1 1 -6  30 4  o 161.2581 12.07038 772.3871       113.3263 780.4774       126.5845 739.7217       254.3569 161.8568 13.45680 153.2153 29.37540 8.641449       32.31098 
1 1 1 -6  30 5  f 362.2590 9.533932 3868.667       202.3784 3868.667       202.3784 0.000000       0.000000 362.2590 9.533932 ?        ?        0.000000       9.533932 
1 1 1 -6  30 6  o 197.7986 10.37888 1156.694       119.9780 1061.627       137.7318 1455.788       244.3010 189.1197 12.48776 219.9866 19.12546 -30.86699      22.84135 
1 1 1 -6  30 7  o 325.2796 8.368352 3115.826       159.5095 3211.681       190.5815 2891.625       291.4688 329.9795 9.858946 311.5904 16.00350 18.38910       18.79656 
1 1 1 -6  30 8  o 516.4728 8.909659 7854.152       269.8728 7777.796       324.5889 8025.125       485.7058 513.4686 10.77877 519.4821 15.96128 -6.013550      19.25992 
1 1 1 -6  30 9  o 485.0664 18.63055 7035.141       529.0166 7035.141       529.0166 0.000000       0.000000 485.0664 18.63055 ?        ?        0.000000       18.63055 
1 1 1 -6  30 10 o 370.4699 8.192046 4039.053       177.9901 4464.404       238.0164 3499.423       268.0908 388.9171 10.44462 343.5753 13.33013 45.34189       16.93465 
1 1 1 -6  30 11 o 326.7713 9.706785 3150.093       185.8181 3144.664       197.2647 3192.835       553.5462 326.3620 10.31918 321.1095 29.73097 5.252502       31.47088 
1 1 1 -6  30 12 o 184.7523 10.71456 1010.749       115.5972 882.2458       137.8432 1315.313       212.2115 171.9977 13.78029 209.3036 17.44639 -37.30598      22.23225 
1 1 1 -6  30 13 o 495.4377 12.95289 7274.329       376.0396 0.000000       0.000000 7274.329       376.0396 ?        ?        495.4377 12.95289 0.000000       12.95289 
1 1 1 -6  30 14 o 315.6609 9.819860 2942.153       181.5716 2811.049       194.4126 3837.405       508.0292 308.3249 10.76794 354.4009 24.59496 -46.07608      26.84884 
1 1 1 -6  30 15 o 151.7880 14.97493 691.7489       131.5723 739.7313       139.3139 295.6562       400.2689 156.9252 15.33279 109.7743 42.91027 47.15090       45.56738 
1 1 1 -6  30 16 o 267.0283 8.787771 2104.290       137.4341 2183.558       172.6687 1967.259       227.0237 271.5645 10.86344 256.5606 15.15548 15.00388       18.64679 
1 1 1 -6  30 17 o 105.2269 18.44211 341.8679       109.6655 303.8408       130.0432 435.4936       204.0508 98.01778 23.01735 115.9385 29.83632 -17.92070      37.68295 
1 1 1 -6  30 18 o 189.4146 11.35405 1066.403       125.5500 1093.624       154.2343 1012.937       216.1546 191.2073 13.84773 181.8003 20.63782 9.407074       24.85315 
1 1 1 -6  30 19 o 82.22934 22.76226 213.2334       113.5077 235.4856       135.9637 162.0571       206.1916 86.36828 25.25343 81.42677 31.07037 4.941513       40.03878 
1 1 1 -6  30 20 o 66.22234 23.36491 121.0317       112.9790 188.9412       136.0334 -29.95988      202.8414 78.82832 25.66069 63.63683 28.01415 15.19149       37.99031 
1 1 1 -6  30 21 o 167.4144 13.18351 839.7529       128.3980 859.0161       162.4791 807.7180       209.5291 168.2793 16.68265 160.8254 22.85755 7.453934       28.29803 
1 1 1 -6  30 22 o 458.5049 9.157922 6215.224       246.2586 6172.190       356.5929 6254.458       340.4895 454.6299 13.38867 458.0736 12.68634 -3.443665      18.44451 
1 1 1 -6  30 23 o 248.8654 11.14789 1843.833       162.2946 1955.830       202.2921 1641.540       271.8728 255.4211 13.55280 230.7959 20.29210 24.62523       24.40180 
1 1 1 -6  30 24 o 51.93476 21.46283 31.60842       106.3000 -128.7589      139.1099 256.6613       164.7944 44.62640 20.94911 89.18783 28.16582 -44.56143      35.10240 
1 1 1 -6  30 25 o 432.8042 8.767505 5550.333       222.5451 5409.524       322.2651 5678.697       307.6930 424.5021 12.95961 435.6224 12.05521 -11.12024      17.69970 
1 1 1 -6  30 26 o 88.43816 20.36768 252.7126       103.4598 271.3818       135.5991 226.7032       160.0509 90.41279 24.82104 83.61297 27.86337 6.799820       37.31557 
1 1 1 -6  30 27 o 63.88902 20.91265 126.7304       90.28896 184.8033       130.0196 72.64440       125.4772 75.81683 25.10899 59.45586 23.77585 16.36098       34.57965 
1 1 1 -6  30 28 o 84.08279 18.60710 228.4703       89.32596 268.7188       128.2398 190.5379       124.4954 89.33763 23.97718 76.22272 24.52690 13.11491       34.29977 
1 1 1 -6  30 29 o 159.1795 10.97382 764.7191       101.8192 676.4514       144.7419 851.1859       143.2577 146.7029 17.14605 166.0692 14.86591 -19.36626      22.69323 
1 1 1 -6  30 30 o 137.0159 11.95721 571.6140       95.12238 552.4265       145.0660 586.0868       125.9889 130.8466 19.49847 136.8165 16.00359 -5.969894      25.22509 
1 1 1 -6  30 31 o 57.62170 20.48154 98.72774       86.95036 172.6731       140.5936 52.92693       110.6488 72.93420 26.03134 53.83448 22.03501 19.09972       34.10531 
1 1 1 -6  30 32 o 156.1104 11.00919 740.6385       100.1483 897.1090       157.8694 635.2640       129.5536 168.6108 16.16241 141.8865 15.83871 26.72424       22.62937 
1 1 1 -6  30 33 o 68.15701 20.09690 155.5452       85.79932 47.76950       136.5306 225.8873       110.3004 56.48911 23.89930 80.83886 22.46157 -24.34975      32.79785 
1 1 1 -6  30 34 o 42.89989 18.53378 6.832548       85.27830 41.54592       135.3674 -16.00951      109.8078 55.39817 23.63069 45.48975 20.28634 9.908421       31.14394 
1 1 1 -6  30 35 f 60.44363 23.58631 103.0656       120.7638 0.000000       0.000000 103.0656       120.7638 ?        ?        60.44363 23.58631 0.000000       23.58631 
1 1 1 -6  30 36 o 142.2860 13.12538 632.4452       108.2942 0.000000       0.000000 632.4452       108.2942 ?        ?        142.2860 13.12538 0.000000       13.12538 
1 1 1 -6  30 37 f 82.93208 19.01465 234.1963       90.50552 261.7934       112.2991 183.0511       152.8790 85.84198 22.15648 72.05918 26.91679 13.78280       34.86292 
1 1 1 -6  30 38 o 68.52699 27.46598 152.7135       167.8427 -153.3012      514.9774 189.0834       177.5368 73.55662 35.96211 72.83443 28.54630 0.7221832      45.91475 
1 1 1 -6  30 39 o 120.9708 17.52510 485.2455       120.7173 360.8245       144.7809 769.0439       218.6600 98.08941 25.07451 142.3574 27.18127 -44.26801      36.98044 
1 1 1 -6  31 1  o 456.9391 11.99256 6172.686       321.1036 6601.857       450.8866 5731.023       457.4016 470.9416 16.34967 438.1190 17.83875 32.82263       24.19778 
1 1 1 -6  31 2  o 525.8697 17.03371 8240.428       524.6439 0.000000       0.000000 8240.428       524.6439 ?        ?        525.8697 17.03371 0.000000       17.03371 
1 1 1 -6  31 3  f 230.8055 25.71454 1633.934       342.1727 1633.934       342.1727 0.000000       0.000000 230.8055 25.71454 ?        ?        0.000000       25.71454 
1 1 1 -6  31 4  o 233.3890 9.807815 1608.183       133.9473 1548.153       149.2011 1857.557       304.0960 228.7546 11.15483 247.9519 21.11248 -19.19728      23.87817 
1 1 1 -6  31 5  o 111.6710 17.22386 379.6794       109.1802 291.7144       119.9639 804.0270       263.4852 96.70593 21.68781 159.8088 29.18806 -63.10284      36.36350 
1 1 1 -6  31 6  o 84.11474 22.32036 220.5846       111.9175 234.2882       125.3711 166.8176       248.3350 86.68613 23.89375 87.38553 33.90067 -0.6994019     41.47489 
1 1 1 -6  31 7  o 205.5402 28.76867 1316.414       337.3060 1316.414       337.3060 0.000000       0.000000 205.5402 28.76867 ?        ?        0.000000       28.76867 
1 1 1 -6  31 8  o 392.4729 8.295754 4534.388       190.9484 4871.929       239.6118 3947.004       316.0867 406.4517 10.05191 364.3434 14.82356 42.10828       17.91030 
1 1 1 -6  31 9  o 403.8096 8.188250 4800.179       193.9180 4874.237       236.0856 4646.591       339.9870 406.5493 9.901610 395.3418 14.68909 11.20743       17.71472 
1 1 1 -6  31 10 o 120.4156 15.27806 437.7317       105.4697 544.3853       124.0193 159.0340       200.4788 134.3048 16.06335 81.37705 30.73291 52.92779       34.67770 
1 1 1 -6  31 11 o 112.8612 36.73193 400.4694       278.7453 388.6566       347.9897 421.6190       465.6285 114.4907 40.94385 122.9691 46.74593 -8.478432      62.14162 
1 1 1 -6  31 12 f 179.3641 12.67275 957.7117       132.4500 991.9210       137.7491 538.5712       482.1661 182.4942 12.95453 131.8751 48.05616 50.61903       49.77163 
1 1 1 -6  31 13 o 428.6386 9.516702 5420.550       239.2370 5374.732       259.8027 5676.063       613.5250 426.5767 10.38475 430.8154 24.38186 -4.238708      26.50129 
1 1 1 -6  31 14 o 374.0712 11.26622 4144.234       246.8810 4662.654       518.8015 3992.471       280.7007 390.9980 22.72225 366.5212 13.07949 24.47684       26.21781 
1 1 1 -6  31 15 o 174.8484 13.08064 912.9847       133.1626 821.1661       141.2408 1647.483       399.4756 165.3673 14.71688 227.4146 30.73796 -62.04729      34.07944 
1 1 1 -6  31 16 o 235.2451 9.316761 1636.459       128.2852 1397.802       155.0088 2155.251       228.5422 216.7116 12.24600 268.4808 14.56911 -51.76917      19.03217 
1 1 1 -6  31 17 o 172.2705 12.07769 884.9335       121.2509 703.6350       141.3261 1390.582       236.0204 152.4984 16.04176 213.8101 19.02055 -61.31174      24.88211 
1 1 1 -6  31 18 o 314.3104 8.629539 2917.764       158.9226 3002.196       205.5643 2792.328       250.5562 318.1114 11.03510 305.6903 14.01295 12.42108       17.83637 
1 1 1 -6  31 19 o 168.9975 13.13529 855.4097       129.1662 1000.355       157.8514 561.6874       224.7060 182.3114 14.89298 130.9144 29.92179 51.39700       33.42326 
1 1 1 -6  31 20 o 61.79454 23.29975 91.24059       115.1241 135.6487       140.4332 0.2427482      201.0268 71.13128 25.93280 65.40368 28.35561 5.727600       38.42591 
1 1 1 -6  31 21 o 377.5013 9.017185 4214.313       199.6365 4304.694       285.4285 4127.754       279.3277 379.6869 12.83648 371.7968 12.82948 7.890106       18.14858 
1 1 1 -6  31 22 o 228.1338 9.813402 1545.654       130.9914 1427.984       169.0375 1722.532       207.2475 218.1148 13.27730 238.9514 14.86225 -20.83659      19.92920 
1 1 1 -6  31 23 o 171.3017 12.94747 883.5990       129.1130 783.9580       157.2938 1089.397       226.0545 159.7586 17.05120 186.5647 21.02590 -26.80611      27.07086 
1 1 1 -6  31 24 o 57.68651 21.60878 84.06969       98.67020 19.11805       131.3410 168.2197       149.4969 54.77616 23.31809 75.16772 26.84132 -20.39156      35.55544 
1 1 1 -6  31 25 o 212.1962 9.761036 1343.753       121.1488 1312.031       168.2234 1377.932       174.6160 207.8375 13.88061 212.9175 14.06245 -5.080032      19.75914 
1 1 1 -6  31 26 o 172.1667 10.30356 888.9055       103.5609 726.1022       138.6531 1094.326       155.7472 153.3054 15.64017 189.3123 14.12976 -36.00688      21.07759 
1 1 1 -6  31 27 o 169.8278 10.28621 866.2477       101.9703 850.4586       142.9273 882.6158       145.5234 166.1829 14.82022 169.3256 14.80282 -3.142700      20.94666 
1 1 1 -6  31 28 o 175.2438 10.32755 923.6345       105.6722 1090.165       154.2089 776.2103       145.0934 188.4932 14.05072 157.9072 15.88284 30.58594       21.20583 
1 1 1 -6  31 29 o 85.68120 18.90780 240.1475       92.46178 208.1321       140.7144 264.4739       122.6586 78.48823 26.12531 88.09864 23.36200 -9.610413      35.04733 
1 1 1 -6  31 30 o 107.0664 15.01840 360.2996       91.71384 385.6798       142.1893 342.2174       120.0173 106.1450 23.46561 101.3074 20.89410 4.837631       31.41971 
1 1 1 -6  31 31 o 93.89935 17.14578 285.3911       90.94322 320.5177       144.2927 262.2415       117.1380 94.94111 25.41266 87.19053 22.69178 7.750580       34.06934 
1 1 1 -6  31 32 o 165.2113 11.13379 831.4841       107.2482 654.6995       164.1580 963.1331       141.6604 140.4062 20.54325 176.1241 13.82522 -35.71790      24.76210 
1 1 1 -6  31 33 f 47.46657 19.64054 36.47766       89.16574 257.5648       138.6920 -119.2840      116.4126 84.29106 25.71406 38.86594 18.51456 45.42513       31.68599 
1 1 1 -6  31 34 o 42.45466 18.70214 -5.218867      90.54729 14.73987       139.1493 -19.87689      119.2483 53.01926 23.27604 46.66771 20.95141 6.351555       31.31669 
1 1 1 -6  31 35 o 60.66661 23.60749 107.4055       120.7126 0.000000       0.000000 107.4055       120.7126 ?        ?        60.66661 23.60749 0.000000       23.60749 
1 1 1 -6  31 36 o 170.3407 11.81545 896.0199       117.3057 0.000000       0.000000 896.0199       117.3057 ?        ?        170.3407 11.81545 0.000000       11.81545 
1 1 1 -6  31 37 o 194.5302 9.917921 1152.830       112.7775 1117.169       138.1357 1224.116       195.3024 189.4223 12.50433 193.1899 17.42451 -3.767624      21.44695 
1 1 1 -6  31 38 o 99.32504 30.16236 408.6432       191.1196 0.000000       0.000000 408.6432       191.1196 ?        ?        99.32504 30.16236 0.000000       30.16236 
1 1 1 -6  31 39 o 200.8797 11.27334 1246.738       132.2797 1237.157       171.0202 1261.007       208.6995 196.3711 14.96241 193.8773 18.58173 2.493851       23.85696 
1 1 1 -6  32 1  o 80.10811 33.24819 73.99473       256.6073 73.99473       256.6073 0.000000       0.000000 80.10811 33.24819 ?        ?        0.000000       33.24819 
1 1 1 -6  32 2  o 181.9957 10.73697 981.1077       114.0931 1034.356       123.8281 681.8412       293.5578 186.7764 11.35806 144.7458 34.97460 42.03067       36.77266 
1 1 1 -6  32 3  o 178.8261 12.26156 950.3254       127.8177 1016.350       143.6350 699.1003       280.1808 184.7411 13.34702 147.0878 33.26203 37.65323       35.84000 
1 1 1 -6  32 4  o 204.1352 10.27656 1232.689       122.6357 1246.841       136.1598 1171.880       282.2490 205.1089 11.36357 194.7956 25.30339 10.31328       27.73792 
1 1 1 -6  32 5  f 265.9348 8.683664 2085.442       135.2527 2167.433       154.7066 1819.542       278.6015 270.9220 9.752663 245.5765 19.50409 25.34552       21.80651 
1 1 1 -6  32 6  o 203.6682 17.56383 1247.991       207.7463 942.0349       309.5925 1498.605       280.1972 171.6477 31.92883 221.8768 21.81461 -50.22906      38.66947 
1 1 1 -6  32 7  o 198.5153 10.47173 1166.697       121.4854 1225.787       136.8469 946.9330       263.9083 203.2929 11.52510 174.1302 26.69185 29.16275       29.07375 
1 1 1 -6  32 8  o 238.9679 9.186736 1686.048       128.5114 1683.435       146.8545 1694.595       265.5450 238.5291 10.52363 236.8635 19.28233 1.665649       21.96714 
1 1 1 -6  32 9  o 137.4940 13.83935 566.7900       110.0798 457.3850       123.4235 992.2742       243.4002 122.4516 17.69920 179.2758 23.73225 -56.82418      29.60543 
1 1 1 -6  32 10 o 183.0748 27.54137 1052.847       286.5570 1213.709       338.3336 644.5876       538.9982 195.4238 30.51710 140.4911 50.86538 54.93271       59.31762 
1 1 1 -6  32 11 o 54.49427 26.57664 -466.0974      276.2727 -419.6001      347.0033 -546.6010      456.5914 65.85171 31.53202 74.78349 35.90401 -8.931778      47.78458 
1 1 1 -6  32 12 o 92.13965 20.67194 266.5151       108.9517 162.3181       126.7871 560.6929       213.0356 74.28392 24.80047 132.1021 28.34628 -57.81819      37.66397 
1 1 1 -6  32 13 o 125.8045 15.38456 479.2794       111.1504 299.0679       128.3009 1021.417       222.5324 97.17136 22.89237 182.3629 21.20167 -85.19151      31.20210 
1 1 1 -6  32 14 o 313.0683 9.533906 2897.933       174.8453 2847.910       188.0069 3218.150       475.6737 310.1237 10.35136 322.1066 25.38523 -11.98291      27.41461 
1 1 1 -6  32 15 o 144.3169 15.55268 629.9244       129.5596 611.9505       136.5029 793.2404       411.4668 141.8848 16.72522 150.0650 43.94642 -8.180283      47.02150 
1 1 1 -6  32 16 o 181.5080 19.25618 1007.356       201.8588 239.7107       437.2044 1215.328       227.5659 106.1853 43.66889 199.3447 19.72313 -93.15936      47.91632 
1 1 1 -6  32 17 o 195.9110 10.78455 1140.718       123.4334 1042.032       146.1481 1386.258       230.5302 186.5182 13.45080 213.3568 18.60948 -26.83855      22.96164 
1 1 1 -6  32 18 o 231.5549 10.61321 1592.574       143.7457 1576.746       180.3969 1620.103       237.9093 229.5128 13.46116 230.9715 17.69796 -1.458725      22.23557 
1 1 1 -6  32 19 o 349.5640 8.387634 3609.407       171.9558 3515.480       215.8187 3772.692       284.5558 344.0401 10.70924 354.9981 13.69323 -10.95798      17.38368 
1 1 1 -6  32 20 o 242.2345 10.06235 1743.145       142.6393 1594.416       181.8590 1980.916       229.9406 230.4509 13.51501 256.0978 15.38031 -25.64685      20.47460 
1 1 1 -6  32 21 o 185.9312 12.01484 1035.939       130.3135 1074.279       165.4133 973.2139       211.5740 188.2001 15.11345 176.4622 20.84567 11.73795       25.74798 
1 1 1 -6  32 22 o 67.47452 22.30644 139.2679       102.6285 47.77221       127.5851 307.0023       172.7470 57.35448 23.58893 95.70734 28.59071 -38.35286      37.06570 
1 1 1 -6  32 23 o 120.6348 15.57427 449.3356       107.6186 457.8199       143.1078 438.2923       163.2684 119.3700 21.21927 114.9597 24.93517 4.410339       32.74172 
1 1 1 -6  32 24 o 83.03873 20.27904 224.5825       97.89240 120.5821       127.5442 373.6755       152.7115 66.05839 24.60325 105.4016 25.07133 -39.34322      35.12679 
1 1 1 -6  32 25 o 253.4923 8.754021 1913.720       129.9483 2003.086       181.3858 1819.486       186.2604 257.6021 12.03945 244.8978 13.01510 12.70427       17.72967 
1 1 1 -6  32 26 o 280.3945 8.294711 2339.636       136.2522 2304.377       185.4236 2381.020       200.8830 276.4453 11.46168 280.4719 12.24195 -4.026611      16.77007 
1 1 1 -6  32 27 o 60.45197 21.16194 109.9884       92.55198 237.6256       130.4211 -19.49427      131.3605 83.44945 24.82154 50.13883 22.28429 33.31062       33.35713 
1 1 1 -6  32 28 o 143.4579 11.88067 627.0079       99.06199 693.4034       144.9471 568.8141       135.6994 148.1312 16.99171 133.5773 17.76164 14.55388       24.58036 
1 1 1 -6  32 29 o 98.52155 16.58213 310.8557       92.41328 294.7357       138.4076 323.8232       124.1379 91.53998 25.05524 97.61156 22.18916 -6.071579      33.46825 
1 1 1 -6  32 30 o 54.63993 20.53439 81.96232       89.25647 83.99896       135.5560 80.40350       118.5932 60.47018 24.52439 58.01693 23.14319 2.453251       33.72021 
1 1 1 -6  32 31 o 122.3249 14.46953 470.0521       101.7980 584.6801       159.2060 390.7747       132.4002 131.9026 21.30645 107.0357 21.83218 24.86690       30.50588 
1 1 1 -6  32 32 o 110.1181 16.53871 391.2629       103.5125 345.0502       164.7644 421.3960       133.0468 95.84500 27.73519 111.3263 21.15083 -15.48132      34.87977 
1 1 1 -6  32 33 o 96.85250 17.63042 309.1691       96.45557 349.7069       152.6447 282.2234       124.4503 97.12245 26.19999 88.85883 23.51733 8.263618       35.20659 
1 1 1 -6  32 34 o 92.83366 18.29193 288.3453       96.04646 220.4289       147.1528 338.7535       126.7744 77.30837 26.70609 97.85795 22.55247 -20.54958      34.95467 
1 1 1 -6  32 35 o 172.0979 14.89963 941.5043       148.9040 0.000000       0.000000 941.5043       148.9040 ?        ?        172.0979 14.89963 0.000000       14.89963 
1 1 1 -6  32 36 o 71.27685 21.37836 179.7880       96.43790 0.000000       0.000000 179.7880       96.43790 ?        ?        71.27685 21.37836 0.000000       21.37836 
1 1 1 -6  32 37 o 109.2635 16.29135 391.0433       101.2097 437.3173       126.1273 307.3664       169.6068 113.0414 19.74290 87.38783 28.66580 25.65357       34.80676 
1 1 1 -6  32 38 o 125.3816 16.15735 514.6501       116.0514 463.1035       147.0437 599.7902       188.9789 113.1693 22.94109 125.2735 26.54787 -12.10414      35.08679 
1 1 1 -6  33 1  f 343.1304 12.48980 3492.632       250.9228 3094.505       311.5497 4227.714       423.3349 321.5381 16.57727 374.6360 19.33283 -53.09799      25.46693 
1 1 1 -6  33 2  o 324.0901 12.94814 3119.150       245.6114 3354.638       329.8179 2825.974       368.0053 334.6804 16.85754 305.4900 20.66184 29.19034       26.66624 
1 1 1 -6  33 3  o 166.8154 11.94014 827.8958       116.0417 814.3304       123.5284 929.7402       338.4699 165.2491 12.84696 168.5090 35.37750 -3.259888      37.63791 
1 1 1 -6  33 4  o 302.0150 8.589678 2690.298       151.9898 2705.804       171.2086 2632.628       330.1740 302.6538 9.657957 295.3828 19.16273 7.270966       21.45895 
1 1 1 -6  33 5  o 140.7089 14.02956 594.1008       114.2340 627.9118       123.6346 396.7878       298.6682 144.5153 14.79597 112.5588 38.06816 31.95648       40.84245 
1 1 1 -6  33 6  o 166.1232 11.79838 821.2793       114.2004 794.1989       124.8714 959.7182       282.3352 163.0525 13.17024 173.9835 28.66739 -10.93105      31.54797 
1 1 1 -6  33 7  o 70.07467 22.80696 145.7515       107.4618 166.4450       117.4006 38.82413       266.8685 74.33506 23.80788 78.01591 33.22577 -3.680847      40.87502 
1 1 1 -6  33 8  o 170.8392 11.58352 868.3540       115.3727 916.2986       129.0172 676.9707       257.7685 175.2778 12.63556 144.2714 31.36163 31.00642       33.81138 
1 1 1 -6  33 9  o 312.8359 12.99730 2912.145       237.9431 2404.558       356.8742 3318.381       319.2632 280.4542 21.86994 332.5641 16.41980 -52.10995      27.34784 
1 1 1 -6  33 10 o 80.51743 23.60798 202.7228       118.6805 205.3232       121.5004 148.6446       554.0781 81.04607 23.92000 110.0732 47.39592 -29.02713      53.08992 
1 1 1 -6  33 11 o 91.30782 22.48474 264.2205       119.5946 298.9481       123.3133 -285.6533      490.6863 97.22791 22.12509 86.22909 40.10365 10.99882       45.80199 
1 1 1 -6  33 12 o 138.8880 14.51876 581.6039       116.5169 663.6033       135.3886 347.4286       228.7953 148.0866 15.83438 104.0390 33.22708 44.04753       36.80715 
1 1 1 -6  33 13 o 433.2971 8.173668 5537.390       207.7080 5270.581       257.1382 6038.353       352.3459 421.9802 10.39020 450.1176 13.36207 -28.13739      16.92635 
1 1 1 -6  33 14 f 192.2082 10.60401 1097.470       119.0711 978.5657       137.1573 1461.246       239.9040 180.8627 13.01770 219.0340 18.85909 -38.17125      22.91563 
1 1 1 -6  33 15 o 96.28672 20.79490 292.7476       113.9888 324.4268       130.6949 192.0498       233.0136 100.9670 22.63227 86.52328 33.02596 14.44376       40.03665 
1 1 1 -6  33 16 f 123.4800 16.28481 466.0211       115.0595 346.9119       131.9383 844.2506       235.1126 104.4620 22.21973 162.9910 25.42534 -58.52905      33.76632 
1 1 1 -6  33 17 o 203.3396 10.72669 1230.450       127.4675 1109.773       150.4368 1537.622       240.0113 192.2773 13.42494 224.3413 18.40363 -32.06400      22.77987 
1 1 1 -6  33 18 o 293.1150 13.33200 2575.158       228.5838 2534.560       472.8510 2587.538       261.1220 279.6439 29.26439 292.8445 15.25655 -13.20056      33.00253 
1 1 1 -6  33 19 o 188.5969 11.50942 1063.887       126.6968 1036.895       153.4707 1121.648       224.5049 185.2224 14.23719 189.7658 20.49725 -4.543472      24.95666 
1 1 1 -6  33 20 o 165.5647 12.92879 827.0895       124.5435 962.9922       158.1874 605.4791       202.0008 177.7479 15.32407 135.5216 26.36450 42.22627       30.49449 
1 1 1 -6  33 21 o 151.7590 13.35766 698.7524       117.6753 788.1637       145.6937 530.9667       199.5824 160.2547 15.70306 125.3067 27.87730 34.94799       31.99578 
1 1 1 -6  33 22 o 93.11535 19.47871 279.2329       102.9492 172.7840       125.1430 502.0995       181.0750 73.80420 24.63912 122.1650 26.06790 -48.36081      35.86951 
1 1 1 -6  33 23 o 109.1503 17.07382 375.3507       105.7174 356.2993       133.0681 407.9526       174.0732 103.8307 22.50313 108.7332 27.33166 -4.902466      35.40354 
1 1 1 -6  33 24 o 67.72277 21.99679 146.4439       99.99014 93.61676       116.6704 292.5902       194.0556 60.68117 23.31721 91.45783 30.68451 -30.77666      38.53870 
1 1 1 -6  33 25 o 61.53204 21.32611 115.0945       93.86838 15.88681       124.2144 247.1816       143.3275 52.28579 22.47634 84.88681 26.18600 -32.60102      34.50931 
1 1 1 -6  33 26 o 98.40733 16.84127 308.6334       93.70475 343.7648       126.2097 265.4800       139.8791 101.4649 21.85543 87.53065 25.62035 13.93426       33.67584 
1 1 1 -6  33 27 o 95.02234 17.93067 292.4964       96.26205 131.7666       137.0632 448.9455       135.2256 67.10876 25.39639 116.7509 20.49648 -49.64215      32.63560 
1 1 1 -6  33 28 o 138.1282 12.42436 586.0479       99.57399 528.9276       143.0108 639.7957       138.7247 126.8803 19.87041 141.6660 17.03859 -14.78569      26.17530 
1 1 1 -6  33 29 o 103.0971 15.82679 338.9123       92.64220 353.2390       137.6884 327.0614       125.2280 100.6531 23.71672 97.59613 22.35943 3.056931       32.59489 
1 1 1 -6  33 30 o 54.65361 20.74385 81.79563       91.60449 128.3582       138.9602 46.01025       121.8217 65.77243 25.40165 54.01635 22.69870 11.75608       34.06574 
1 1 1 -6  33 31 o 74.34267 20.93467 190.1681       95.13345 121.2648       151.2621 235.2590       122.3643 65.47735 26.13117 81.18663 24.01613 -15.70928      35.49102 
1 1 1 -6  33 32 o 148.5806 12.54978 684.5413       108.3358 770.3701       168.7277 624.3381       141.3122 152.3307 19.32034 138.1423 17.85981 14.18842       26.31061 
1 1 1 -6  33 33 o 135.6376 13.30620 576.5472       104.4878 593.5776       158.9370 563.5842       138.6649 131.4618 21.34613 130.2239 18.69125 1.237915       28.37287 
1 1 1 -6  33 34 o 66.52337 21.76301 153.2927       97.78701 219.1348       151.0759 105.8173       128.2856 76.67197 27.02148 60.81413 24.13183 15.85784       36.22852 
1 1 1 -6  33 35 f 99.61308 23.05570 358.4040       132.0263 0.000000       0.000000 358.4040       132.0263 ?        ?        99.61308 23.05570 0.000000       23.05570 
1 1 1 -6  33 36 f 251.8111 10.34197 1938.160       152.4065 0.000000       0.000000 1938.160       152.4065 ?        ?        251.8111 10.34197 0.000000       10.34197 
1 1 1 -6  34 1  o 110.1041 17.86132 372.8456       111.3881 301.8887       117.0628 1051.957       362.1529 98.05807 20.98925 178.2363 35.88829 -80.17822      41.57545 
1 1 1 -6  34 2  o 225.1094 10.93717 1503.237       143.9618 1467.660       157.1596 1688.772       358.8946 222.1350 12.10930 232.2768 26.83885 -10.14185      29.44416 
1 1 1 -6  34 3  o 228.1054 9.643793 1539.597       128.7221 1489.407       138.1003 1871.928       355.3661 224.1550 10.53446 245.6177 25.01871 -21.46277      27.14610 
1 1 1 -6  34 4  o 246.1416 9.433642 1791.710       135.9284 1803.261       146.4448 1719.844       365.2919 246.7737 10.14030 234.1755 27.09738 12.59821       28.93257 
1 1 1 -6  34 5  o 243.2400 10.44670 1753.307       148.6795 1753.307       148.6795 0.000000       0.000000 243.2400 10.44670 ?        ?        0.000000       10.44670 
1 1 1 -6  34 6  o 133.3640 15.68461 538.8358       120.3343 521.4368       133.2406 615.8190       280.2671 130.5478 17.87132 135.7917 34.97860 -5.243881      39.27960 
1 1 1 -6  34 7  o 141.5970 13.84166 602.6702       113.4793 568.8109       124.3994 770.5251       276.9784 137.0232 15.76716 153.4439 31.82322 -16.42062      35.51508 
1 1 1 -6  34 8  o 291.4766 13.78730 2536.744       235.0177 2726.553       345.2522 2372.847       320.8214 299.4269 19.77117 279.2796 19.71393 20.14731       27.92021 
1 1 1 -6  34 9  o 265.4571 10.39481 2088.740       161.5181 2088.740       161.5181 0.000000       0.000000 265.4571 10.39481 ?        ?        0.000000       10.39481 
1 1 1 -6  34 10 f 120.2721 16.00518 440.7812       110.0955 387.1384       122.6991 662.3878       249.3888 111.5938 19.45474 142.1549 30.80467 -30.56113      36.43370 
1 1 1 -6  34 11 o 69.52081 31.13165 -68.69680      261.4551 -38.67890      317.0783 -132.4631      462.1382 78.29692 34.72025 88.82500 40.42500 -10.52808      53.28862 
1 1 1 -6  34 12 o 162.6840 13.83766 795.3364       130.7738 828.7913       134.7818 257.7775       540.2742 166.0553 13.96913 112.8970 47.64189 53.15838       49.64762 
1 1 1 -6  34 13 o 119.7028 16.41399 438.5588       112.1995 547.2542       126.0387 23.53689       246.2828 133.9466 16.38508 73.33568 31.58832 60.61092       35.58501 
1 1 1 -6  34 14 o 217.6376 16.11072 1433.330       204.1781 1702.376       360.0631 1305.810       247.8866 231.1340 27.07475 205.5433 20.85184 25.59070       34.17369 
1 1 1 -6  34 15 o 156.9439 14.99678 746.2659       136.3595 762.9313       143.4770 590.6865       438.3788 158.4818 15.64028 128.6760 45.96175 29.80585       48.54999 
1 1 1 -6  34 16 o 144.7828 13.93343 634.0050       116.8518 593.5500       134.7541 756.6399       234.6188 139.0648 16.86681 152.3931 27.25149 -13.32822      32.04892 
1 1 1 -6  34 17 o 164.3394 12.69672 812.7955       121.4242 819.4078       143.9325 796.4727       226.1398 164.1432 15.12137 156.9178 25.44337 7.225372       29.59765 
1 1 1 -6  34 18 o 99.71741 20.30014 318.1196       114.6785 288.7772       136.0631 390.0863       213.0875 93.61904 24.50138 106.3849 31.74772 -12.76590      40.10282 
1 1 1 -6  34 19 f 128.1564 15.07666 504.5851       111.1518 396.3178       130.7555 786.6476       211.0493 111.0928 20.83406 155.7545 23.86343 -44.66168      31.67841 
1 1 1 -6  34 20 o 149.4540 29.43392 767.6766       248.8076 480.4631       399.5397 949.6127       317.9925 112.8290 43.20164 162.4152 34.45295 -49.58619      55.25746 
1 1 1 -6  34 21 o 119.2670 16.85951 445.9178       114.6431 492.0579       138.4073 345.0755       204.6169 124.0173 19.68646 98.73750 31.40998 25.27983       37.06945 
1 1 1 -6  34 22 o 117.6280 16.37594 433.6523       109.9122 464.0594       122.4594 307.6609       249.2726 121.0853 17.77319 93.97088 34.50373 27.11439       38.81229 
1 1 1 -6  34 23 o 291.4129 8.657500 2530.914       147.7985 2282.435       189.0543 2921.489       237.0248 274.8626 11.75505 309.9703 13.06768 -35.10767      17.57685 
1 1 1 -6  34 24 o 88.60856 19.81390 258.0521       100.3801 230.3756       126.8981 304.3228       164.0792 82.24908 24.48879 92.80988 27.89650 -10.56079      37.12028 
1 1 1 -6  34 25 o 65.11137 22.10540 134.6469       100.7140 207.1484       140.1472 57.21900       144.8304 78.12589 26.07423 59.35887 24.83369 18.76701       36.00803 
1 1 1 -6  34 26 o 102.9089 16.64187 338.6959       97.01311 362.2433       130.0495 309.1521       145.6699 103.4570 22.10487 93.40864 25.75897 10.04838       33.94334 
1 1 1 -6  34 27 o 67.86425 22.06705 153.1154       100.6147 295.2182       146.6526 26.74539       138.2962 90.67762 26.14426 54.79501 23.63705 35.88261       35.24532 
1 1 1 -6  34 28 o 42.57511 18.95885 -17.10172      95.54546 6.727163       140.7528 -37.46528      130.1165 53.12017 23.36204 47.58714 21.57559 5.533028       31.80080 
1 1 1 -6  34 29 o 191.1581 10.32128 1108.150       115.2825 1111.143       167.8328 1105.476       158.6247 187.7096 15.38018 187.9527 14.50245 -0.2431030     21.13932 
1 1 1 -6  34 30 o 35.61609 16.92214 -97.31700      95.97523 -29.30611      153.0808 -141.3645      123.1947 51.57308 23.39050 38.84232 18.64880 12.73076       29.91477 
1 1 1 -6  34 31 o 39.17157 17.97707 -44.95965      93.92767 3.843077       153.0822 -74.42619      118.9507 53.87168 23.99294 42.12530 19.64320 11.74638       31.00833 
1 1 1 -6  34 32 o 105.3590 17.28226 365.3519       103.0888 309.6912       156.4210 408.0912       137.0676 89.86873 27.28657 107.6790 22.43376 -17.81026      35.32464 
1 1 1 -6  34 33 o 80.27634 21.18599 227.2769       101.1814 82.28902       147.8515 354.9906       138.7646 59.87939 25.07418 98.46968 24.20283 -38.59029      34.84956 
1 1 1 -6  34 34 o 140.0062 13.91690 621.2969       112.7608 497.1001       165.6418 728.5607       153.9364 115.8695 25.10235 148.0663 18.10303 -32.19678      30.94912 
1 1 1 -6  34 35 o 125.6970 19.84405 540.2293       141.4386 0.000000       0.000000 540.2293       141.4386 ?        ?        125.6970 19.84405 0.000000       19.84405 
1 1 1 -6  35 1  o 129.7535 14.15970 507.8691       106.0050 429.1613       110.6382 1388.993       370.1816 118.5794 16.34327 207.2207 31.44638 -88.64129      35.43977 
1 1 1 -6  35 2  o 133.2239 14.08724 534.9819       108.4021 505.6608       115.4042 754.8494       316.0182 129.0958 15.55574 149.4063 36.40471 -20.31046      39.58894 
1 1 1 -6  35 3  o 197.9379 11.83165 1166.927       136.7219 1300.158       152.1619 608.5674       311.5008 208.7909 12.48336 133.6083 37.97030 75.18266       39.96972 
1 1 1 -6  35 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  35 5  o 53.53828 21.87581 37.62324       108.8215 60.04579       116.6764 -112.2874      301.6871 57.84671 22.99472 72.42110 32.84220 -14.57439      40.09199 
1 1 1 -6  35 6  o 77.41273 23.01885 187.4458       112.1787 168.4050       120.1776 316.3673       312.7111 74.49676 24.10890 103.8640 38.55474 -29.36729      45.47205 
1 1 1 -6  35 7  o 65.31882 24.31204 106.5867       124.5039 117.7289       137.5878 56.21991       292.5279 68.46682 25.54311 81.36549 34.72350 -12.89867      43.10651 
1 1 1 -6  35 8  o 202.5555 10.87597 1219.923       128.7262 1161.600       142.8456 1471.968       296.9501 197.2277 12.41243 217.2925 23.68466 -20.06485      26.74007 
1 1 1 -6  35 9  o 66.50557 23.49348 123.1419       114.2530 82.58347       123.5942 361.4375       299.5820 61.78502 23.93056 106.9521 38.01744 -45.16711      44.92213 
1 1 1 -6  35 10 o 241.2495 10.70597 1729.777       151.0984 1760.806       156.9998 1340.156       556.3351 243.3080 11.03121 187.9379 49.71545 55.37016       50.92459 
1 1 1 -6  35 11 o 281.3553 8.906595 2343.017       146.7810 2258.284       168.9999 2603.205       296.1436 275.7274 10.46998 292.8863 17.31792 -17.15891      20.23687 
1 1 1 -6  35 12 f 80.56853 22.72383 207.1485       111.9974 155.1091       125.5088 410.5583       248.1384 72.30042 24.67464 110.2826 34.52542 -37.98215      42.43633 
1 1 1 -6  35 13 o 106.9422 20.88071 362.8405       126.2612 279.4753       129.8784 1797.229       538.7386 92.88821 23.75116 223.0923 42.73122 -130.2041      48.88839 
1 1 1 -6  35 14 o 274.0336 8.714736 2225.172       139.8801 1991.049       162.1359 2906.702       276.6297 258.5085 10.71758 310.0081 15.26203 -51.49963      18.64929 
1 1 1 -6  35 15 o 148.7134 12.97221 668.0129       112.0084 504.7549       127.5139 1219.509       234.3643 127.5309 17.51053 197.4633 20.53707 -69.93240      26.98870 
1 1 1 -6  35 16 o 253.4706 9.045823 1909.136       134.2547 2010.285       163.5952 1700.518       234.9456 259.3956 10.77716 235.2020 17.15025 24.19357       20.25533 
1 1 1 -6  35 17 o 55.55832 22.25921 58.57317       110.1927 -74.58422      127.1493 460.3242       220.8564 45.42906 20.87357 114.2523 31.79816 -68.82328      38.03720 
1 1 1 -6  35 18 o 46.63146 20.44913 -11.18754      107.1348 -138.9888      124.8252 346.2861       208.7645 40.42073 19.23166 99.29236 31.74228 -58.87163      37.11373 
1 1 1 -6  35 19 o 55.29655 22.02278 62.59877       107.2192 50.09205       125.2604 96.87847       207.3771 56.55853 23.32869 71.63349 29.82318 -15.07496      37.86357 
1 1 1 -6  35 20 o 135.7511 14.63702 568.5851       114.6925 577.4716       135.5089 546.1407       215.3552 135.4446 17.46519 123.9772 29.95577 11.46741       34.67536 
1 1 1 -6  35 21 o 60.90013 22.40710 104.7337       105.2148 141.9982       120.8971 -11.60274      213.6123 68.02663 24.15392 63.33651 28.26650 4.690117       37.18073 
1 1 1 -6  35 22 o 67.44872 23.57413 141.9482       114.8264 108.8234       128.9966 268.3594       251.9964 63.82386 24.51977 89.09892 34.26027 -25.27506      42.13057 
1 1 1 -6  35 23 o 59.69047 25.65503 36.19093       161.7803 -189.4550      395.8912 81.42633       177.2562 72.59705 34.45693 65.75278 27.48852 6.844276       44.07832 
1 1 1 -6  35 24 o 206.7961 9.735733 1285.838       117.7445 1138.305       152.0022 1507.174       186.1799 192.3129 13.56394 220.7095 14.46308 -28.39658      19.82829 
1 1 1 -6  35 25 o 41.30119 18.90535 -49.55940      102.9767 -163.2495      143.5927 70.82304       147.7586 42.08010 20.18501 60.56440 25.19098 -18.48429      32.28034 
1 1 1 -6  35 26 o 60.81691 21.82841 113.7208       99.00481 72.65488       140.5511 154.1648       139.4828 59.69395 24.67547 69.53285 25.76082 -9.838902      35.67210 
1 1 1 -6  35 27 f 77.40666 22.43430 207.7663       107.7253 71.92739       168.8200 301.0681       139.9126 62.53029 26.52066 91.47668 25.25204 -28.94639      36.61982 
1 1 1 -6  35 28 f 146.6839 13.34084 669.8214       113.5125 639.7147       164.2222 697.3656       157.0779 137.7589 20.98867 145.7034 18.82135 -7.944489      28.19162 
1 1 1 -6  35 29 o 46.58880 20.03098 17.31606       98.69044 -27.07522      151.4028 50.11304       130.1373 51.38324 23.28750 55.15082 23.33306 -3.767582      32.96573 
1 1 1 -6  35 30 o 41.56385 18.92564 -36.02568      101.4531 9.362272       164.3618 -63.96276      128.9499 55.69367 24.82915 44.71098 20.71302 10.98269       32.33443 
1 1 1 -6  35 31 o 66.94477 22.53920 154.9587       104.6988 220.0818       162.6806 108.9120       136.7941 76.91383 27.93066 62.01891 24.81675 14.89492       37.36298 
1 1 1 -6  35 32 o 101.8560 19.51959 354.0161       112.3597 182.1291       169.5808 488.5248       150.0134 71.94365 27.98511 117.4263 22.60305 -45.48266      35.97310 
1 1 1 -6  35 33 o 109.7882 17.28551 399.5234       107.6224 613.2961       166.2909 245.4458       141.1764 131.8464 22.29979 80.16693 26.14435 51.67944       34.36288 
1 1 1 -6  35 34 o 90.94703 20.57151 290.2670       107.1479 262.0956       164.5675 310.9971       141.1693 81.23912 28.23286 90.26641 25.53055 -9.027290      38.06446 
1 1 1 -6  36 1  o 198.1800 12.23541 1173.036       141.5162 1188.715       151.3289 1063.765       399.5000 199.2669 13.02031 174.4919 39.90765 24.77502       41.97796 
1 1 1 -6  36 2  o 225.7591 9.784289 1511.575       129.2387 1514.187       137.5691 1491.949       377.1234 225.7852 10.41710 214.0092 30.94423 11.77599       32.65059 
1 1 1 -6  36 3  o 160.1424 12.61390 768.5649       117.5136 766.9534       124.3152 782.0942       360.2075 159.7566 13.39140 148.7872 40.29446 10.96945       42.46143 
1 1 1 -6  36 4  o 265.3156 9.098689 2084.004       141.3673 2089.548       154.9103 2056.392       345.7187 265.4160 9.969543 256.9825 23.18788 8.433533       25.24024 
1 1 1 -6  36 5  o 234.6224 9.618174 1632.376       132.0659 1590.420       142.9827 1876.088       344.6065 231.3157 10.56760 244.5335 24.35232 -13.21773      26.54637 
1 1 1 -6  36 6  o 170.9253 12.07525 874.0887       120.2676 818.5552       129.7361 1213.420       320.6973 164.9585 13.52897 193.2868 29.20024 -28.32823      32.18209 
1 1 1 -6  36 7  o 272.2045 9.344432 2195.948       148.9547 2197.787       166.4689 2188.560       333.6146 271.9574 10.45663 265.7800 21.58861 6.177368       23.98769 
1 1 1 -6  36 8  o 170.2525 13.87933 873.7374       137.3825 899.8398       153.2511 766.9155       310.0221 172.2872 15.32682 148.7180 35.94677 23.56917       39.07790 
1 1 1 -6  36 9  o 63.72907 23.39247 107.1059       114.5621 24.14520       123.1702 639.1671       311.9249 54.27385 22.81648 134.2939 37.93903 -80.02007      44.27145 
1 1 1 -6  36 10 o 124.0720 15.90240 472.1407       113.0573 479.0685       125.0820 441.2175       264.2656 124.3840 17.64097 113.0153 35.66438 11.36868       39.78884 
1 1 1 -6  36 11 o 95.17643 21.33507 291.1774       116.1386 328.7326       119.3886 -370.5930      501.1655 101.4526 20.76546 81.02850 38.54741 20.42413       43.78478 
1 1 1 -6  36 12 o 201.4304 10.43198 1210.832       122.8174 1185.045       138.2473 1307.397       267.5229 198.7437 11.91548 202.9117 22.87876 -4.168030      25.79566 
1 1 1 -6  36 13 o 48.85530 20.64882 16.66133       101.7490 5.169310       112.2768 69.46350       240.6677 49.68728 21.36429 74.19423 31.57383 -24.50695      38.12269 
1 1 1 -6  36 14 o 106.4588 17.17434 355.2537       103.5808 351.1726       118.0174 368.9407       216.1274 104.7323 19.94201 102.8039 32.22703 1.928345       37.89809 
1 1 1 -6  36 15 o 47.42539 20.32426 7.666116       100.9833 25.21112       114.6759 -52.92373      213.1058 52.11803 21.96895 61.48849 27.77089 -9.370461      35.40984 
1 1 1 -6  36 16 o 76.47316 22.50820 191.7913       107.7051 67.30650       123.3060 592.4811       221.2229 58.40445 23.49563 130.2742 29.62651 -71.86972      37.81236 
1 1 1 -6  36 17 o 167.1935 12.12697 846.4509       118.1028 852.1106       139.1555 831.8749       223.3171 166.7037 14.37350 158.1917 24.89217 8.512009       28.74401 
1 1 1 -6  36 18 o 136.3728 13.94406 571.5184       109.9556 627.9148       129.6245 426.8227       207.6297 142.1017 15.82184 108.6040 31.04436 33.49763       34.84370 
1 1 1 -6  36 19 o 172.5048 12.02324 902.7459       120.8777 820.7842       143.1575 1106.324       225.6182 162.8558 15.16278 184.9410 21.18310 -22.08521      26.05060 
1 1 1 -6  36 20 o 61.02945 22.79623 103.5499       109.6535 97.61724       128.4776 119.4635       210.4188 62.28170 24.32090 72.87103 30.16368 -10.58934      38.74730 
1 1 1 -6  36 21 o 130.5405 14.26779 528.2419       107.4560 445.4926       124.2355 774.0169       214.1077 117.5680 18.63906 150.7559 25.09829 -33.18796      31.26241 
1 1 1 -6  36 22 o 139.6624 14.10072 604.7988       113.9171 636.7179       140.3853 543.2593       194.9277 141.4823 17.27671 123.3894 27.62593 18.09291       32.58338 
1 1 1 -6  36 23 o 174.6765 11.13839 927.0328       113.5112 824.1541       140.1026 1123.590       193.6549 162.4646 14.86872 187.4919 17.82566 -25.02722      23.21278 
1 1 1 -6  36 24 o 46.77809 20.23690 9.220559       101.9478 81.20794       130.4323 -103.8119      163.4401 59.49458 24.08271 48.87535 22.86764 10.61922       33.21003 
1 1 1 -6  36 25 o 143.1918 19.41606 673.5356       158.8563 288.6929       366.5085 762.5571       176.2747 89.63747 38.57156 151.7248 20.32036 -62.08730      43.59682 
1 1 1 -6  36 26 o 80.66796 21.90747 225.8109       106.2988 352.7913       153.0053 107.3413       147.7887 98.27240 26.10743 63.81740 25.70531 34.45500       36.63824 
1 1 1 -6  36 27 o 54.05805 21.82202 66.68243       106.7646 88.89500       160.2727 48.96247       143.1500 62.68488 26.16723 56.82868 24.27238 5.856201       35.69135 
1 1 1 -6  36 28 o 49.18961 21.09881 25.20821       109.0037 -36.17898      165.7928 71.94772       144.6668 52.70072 24.07218 59.04375 24.76867 -6.343029      34.53921 
1 1 1 -6  36 29 f 138.1978 14.19369 603.7054       113.4061 577.7376       164.5287 627.2100       156.5309 128.4569 22.66738 136.1301 20.21958 -7.673203      30.37501 
1 1 1 -6  36 30 o 93.56634 21.16485 306.0391       113.4139 231.8193       168.6422 367.3244       153.2443 78.20227 28.43209 98.72643 26.08135 -20.52416      38.58265 
1 1 1 -6  36 31 o 63.48809 22.96687 135.6426       109.8575 327.6342       170.3510 -1.052164      143.7406 90.39756 28.64798 51.52921 23.07840 38.86835       36.78748 
1 1 1 -6  36 32 o 46.08889 20.29909 4.850007       106.6218 294.3731       167.5319 -192.2525      138.2299 85.67475 28.50600 38.64635 18.83689 47.02840       34.16753 
1 1 1 -6  36 33 o 39.50496 18.25967 -49.99473      99.37190 -53.00328      154.1091 -47.85353      130.0103 48.93628 22.66112 45.48787 20.97533 3.448414       30.87864 
1 1 1 -6  37 1  o 238.6048 10.85428 1696.408       151.4928 1753.222       164.8436 1387.676       384.2692 242.2907 11.63472 202.6761 33.49743 39.61465       35.46046 
1 1 1 -6  37 2  o 105.1712 18.34514 346.0768       109.0409 364.7396       114.6449 169.0597       353.0800 107.8745 18.80439 92.84980 38.80485 15.02474       43.12101 
1 1 1 -6  37 3  o 214.1575 11.44317 1370.171       143.2024 1477.642       157.0003 838.1046       349.3315 222.1832 12.09426 152.7435 38.89746 69.43974       40.73430 
1 1 1 -6  37 4  o 144.8390 13.54248 634.3323       113.7024 681.2723       121.3720 297.7363       325.0135 150.0071 13.95619 100.2978 38.81760 49.70933       41.25023 
1 1 1 -6  37 5  o 33.09823 16.26451 -214.9152      109.5432 -186.1753      116.9964 -419.1689      311.8998 36.29073 17.60630 59.60087 28.87534 -23.31014      33.81963 
1 1 1 -6  37 6  o 85.20907 22.71334 235.4011       115.5642 339.0407       123.3899 -504.7735      329.7491 102.8813 21.15685 59.08995 28.86513 43.79136       35.78838 
1 1 1 -6  37 7  o 40.34401 18.75392 -84.84506      107.0965 -86.91069      113.6655 -68.50771      319.6632 41.73360 19.37271 74.76578 33.86601 -33.03217      39.01550 
1 1 1 -6  37 8  f 134.8120 14.36351 554.2390       111.8170 548.4270       118.7407 599.7606       332.3127 133.7092 15.42455 126.9178 39.98564 6.791389       42.85753 
1 1 1 -6  37 9  o 136.2740 14.27755 566.6085       112.4164 527.2042       120.9087 817.9221       305.3468 130.7110 16.11296 151.4075 35.07595 -20.69644      38.59987 
1 1 1 -6  37 10 o 77.22614 23.84020 192.8533       118.7728 263.6118       122.6305 -879.0085      477.2858 89.49329 23.18095 65.13414 32.35614 24.35915       39.80296 
1 1 1 -6  37 11 o 117.1099 15.61208 424.6012       104.5585 341.5669       115.5210 800.8595       245.9096 103.2007 19.80663 153.8554 28.29521 -50.65469      34.53870 
1 1 1 -6  37 12 o 64.97652 22.68007 126.1135       106.2615 160.3652       109.0215 -524.7877      475.2575 70.99300 22.96161 72.12150 35.10273 -1.128502      41.94565 
1 1 1 -6  37 13 o 68.77364 21.83189 150.9437       98.89661 170.0859       108.6122 58.07980       239.2250 72.54939 22.86005 72.01655 31.07705 0.5328369      38.57934 
1 1 1 -6  37 14 o 84.07226 20.94243 232.4108       102.8727 154.6196       114.3483 562.6684       235.6084 69.98400 23.55494 124.7573 32.03712 -54.77332      39.76446 
1 1 1 -6  37 15 o 49.56336 21.33303 9.350284       112.1690 -83.00237      121.4796 543.4881       292.1497 43.24400 20.05789 118.1257 37.52649 -74.88171      42.55063 
1 1 1 -6  37 16 o 74.26741 22.78001 182.1311       108.6567 199.2824       124.6604 127.9007       221.6668 77.35857 24.50565 75.00021 30.99411 2.358360       39.51154 
1 1 1 -6  37 17 o 153.9960 12.25616 721.5451       109.7790 663.1863       125.7729 908.2272       224.9498 146.3639 14.85785 165.2054 23.91183 -18.84148      28.15194 
1 1 1 -6  37 18 o 166.9881 12.02936 847.6409       117.0195 827.7188       137.7811 899.2102       221.6752 163.7116 14.50005 164.1998 23.70488 -0.4881744     27.78800 
1 1 1 -6  37 19 o 70.25765 23.06826 162.1026       109.8254 174.2328       127.8393 127.9281       214.5760 72.81158 24.90136 73.42010 30.43186 -0.6085205     39.32144 
1 1 1 -6  37 20 o 139.7537 13.63466 603.7393       110.3332 624.7424       128.7475 545.6636       214.0888 140.9498 15.84920 121.4170 30.19237 19.53283       34.09951 
1 1 1 -6  37 21 o 133.5770 14.38039 556.7119       110.8830 583.6866       130.1848 485.4347       211.6200 135.4075 16.75012 112.9283 31.00993 22.47923       35.24460 
1 1 1 -6  37 22 o 153.2235 12.84288 723.5378       114.3477 729.9797       138.8271 709.9467       201.6469 152.0642 15.79662 142.8432 24.97940 9.221008       29.55509 
1 1 1 -6  37 23 o 31.46449 15.53633 -207.4007      104.0641 -164.4861      123.2975 -313.6766      194.0299 37.82069 18.28268 44.02800 21.63758 -6.207310      28.32740 
1 1 1 -6  37 24 o 97.23451 19.47470 316.0752       107.1809 325.5294       135.3185 300.1582       175.5800 95.76878 24.11185 89.06414 29.16339 6.704636       37.84025 
1 1 1 -6  37 25 o 147.1614 12.87350 672.0833       109.9892 685.8719       140.7590 650.4630       176.2565 145.9878 16.74290 137.3460 22.67194 8.641769       28.18406 
1 1 1 -6  37 26 o 130.4481 15.08278 541.2209       113.2673 542.6873       155.6646 539.5712       165.1217 125.5182 21.94477 123.7302 23.61631 1.788048       32.23822 
1 1 1 -6  37 27 o 146.7690 14.20155 680.0249       120.7165 624.5406       152.1542 774.2781       198.3111 136.4481 19.57338 148.1598 23.61471 -11.71172      30.67201 
1 1 1 -6  37 28 o 49.01908 21.42117 13.63706       116.6568 -73.09290      170.4854 89.99927       159.9712 50.68939 23.59637 62.02658 26.03459 -11.33719      35.13671 
1 1 1 -6  37 29 o 87.27827 21.91712 271.2948       112.0142 308.1756       161.5117 237.1154       155.4843 88.58875 27.87154 78.79406 27.43907 9.794693       39.11171 
1 1 1 -6  37 30 o 176.1844 12.59353 968.8080       129.2683 943.5286       191.9577 989.7852       174.8618 166.4913 20.06304 173.4516 17.42544 -6.960327      26.57389 
1 1 1 -6  37 31 o 100.9996 20.00279 352.6141       114.2918 514.7923       177.1608 236.9979       149.5824 116.1731 26.57969 78.40853 26.93217 37.76458       37.83942 
1 1 1 -6  38 1  o 130.8904 14.18460 523.3485       107.1486 544.3944       111.2344 252.5529       399.0030 133.4265 14.44510 98.56982 41.22735 34.85667       43.68473 
1 1 1 -6  38 2  o 318.4699 16.26864 3103.060       302.8507 3103.060       302.8507 0.000000       0.000000 318.4699 16.26864 ?        ?        0.000000       16.26864 
1 1 1 -6  38 3  f 74.19118 22.08865 177.4539       103.2444 169.1241       108.1537 263.0085       346.6140 72.78188 22.79480 96.34562 39.16363 -23.56374      45.31438 
1 1 1 -6  38 4  o 201.2514 11.97845 1218.841       140.7410 1356.016       154.4387 546.8198       341.8298 212.0858 12.47140 119.8727 40.72440 92.21303       42.59122 
1 1 1 -6  38 5  f 137.9745 14.66041 583.5239       116.8163 649.3749       124.9168 124.6188       329.7621 145.5484 14.84144 85.46716 36.67912 60.08128       39.56799 
1 1 1 -6  38 6  o 40.16105 18.83332 -99.57232      111.9289 -71.29401      119.3166 -306.9468      323.1109 43.93742 20.20000 63.68572 30.47666 -19.74830      36.56319 
1 1 1 -6  38 7  o 62.42629 23.25709 104.9821       113.9846 55.25537       122.5170 425.1481       310.8774 56.93490 23.23135 107.6241 38.67384 -50.68923      45.11497 
1 1 1 -6  38 8  o 35.28972 17.07910 -162.1777      108.3867 -173.5235      115.7147 -81.01440      309.4924 36.37329 17.61392 71.36819 32.70816 -34.99490      37.14935 
1 1 1 -6  38 9  o 40.37614 18.64894 -69.10484      103.3829 -151.3184      109.2455 635.8019       319.8878 36.08595 17.38564 127.6062 39.07610 -91.52025      42.76917 
1 1 1 -6  38 10 o 79.21024 21.48997 206.6901       102.3466 245.3576       110.8432 -16.91371      266.5482 86.10089 21.90235 69.81705 31.33569 16.28384       38.23138 
1 1 1 -6  38 11 o 91.47425 21.74193 276.9909       114.9147 188.5691       124.2377 800.6827       302.3513 75.84532 24.51007 146.0347 35.62453 -70.18933      43.24177 
1 1 1 -6  38 12 o 62.99055 22.28910 118.3863       102.8739 95.18330       112.3050 239.3896       256.4632 60.35684 22.95434 87.41180 34.29486 -27.05496      41.26790 
1 1 1 -6  38 13 o 128.6340 14.37192 511.1828       106.5724 480.9929       117.9134 645.8643       249.0498 123.6691 16.68250 132.6990 32.30832 -9.029930      36.36115 
1 1 1 -6  38 14 o 83.35654 21.29923 231.2458       104.4968 179.9775       115.3668 465.4934       246.6005 73.84364 23.59557 110.6071 34.38635 -36.76344      41.70338 
1 1 1 -6  38 15 o 91.87447 20.08036 277.8078       105.1695 190.0852       117.4276 633.3987       236.4230 75.45961 23.76866 131.7205 31.10513 -56.26093      39.14688 
1 1 1 -6  38 16 f 128.7038 14.79670 515.5729       109.6586 487.4936       125.6489 605.3115       224.6232 123.5290 17.86151 128.9175 30.23569 -5.388481      35.11738 
1 1 1 -6  38 17 o 87.33669 21.50938 257.0419       109.4343 264.2054       125.6934 234.6017       222.4668 87.54366 23.84218 83.67433 32.18625 3.869324       40.05502 
1 1 1 -6  38 18 o 45.92973 20.25450 -8.940123      106.4682 10.31207       126.5416 -55.59781      196.9949 51.54255 22.42035 57.18735 26.16626 -5.644794      34.45788 
1 1 1 -6  38 19 o 74.06863 22.79156 187.1359       108.6596 247.4963       128.1303 32.55940       205.0442 83.96741 24.50500 63.87288 28.14013 20.09453       37.31437 
1 1 1 -6  38 20 o 52.16470 21.41681 50.06487       104.9319 32.01469       122.1991 100.7405       204.7513 52.77946 22.48082 68.96308 29.22614 -16.18362      36.87213 
1 1 1 -6  38 21 o 95.27578 20.56211 306.6790       111.5210 326.4579       129.8658 251.1283       217.6400 96.74628 23.19005 83.32902 31.89047 13.41727       39.43070 
1 1 1 -6  38 22 o 145.2966 13.54182 657.1857       114.0652 776.0194       134.7529 356.8198       214.2366 157.1181 14.79811 94.68804 32.23899 62.43003       35.47304 
1 1 1 -6  38 23 o 84.65035 22.70042 252.3788       115.0043 272.2776       141.0343 212.8897       198.6776 86.17202 25.85477 77.90134 30.29423 8.270683       39.82724 
1 1 1 -6  38 24 o 99.16779 19.66893 332.1960       110.3528 394.2376       139.8029 229.6418       179.7426 105.6679 23.19643 78.97479 29.24608 26.69315       37.32837 
1 1 1 -6  38 25 o 71.28909 23.54744 179.2725       114.3731 276.7512       152.9385 55.58043       172.2792 85.37776 27.15481 60.38088 26.21352 24.99688       37.74298 
1 1 1 -6  38 26 o 113.2210 17.85478 424.0585       114.6344 426.1786       151.4055 421.2105       175.4812 108.3791 24.40886 104.3192 28.06994 4.059952       37.19830 
1 1 1 -6  38 27 o 134.7579 15.04022 581.0825       116.8422 635.5988       149.3069 494.9459       187.6769 137.7713 18.98268 112.6632 28.41303 25.10812       34.17078 
1 1 1 -6  38 28 o 61.57289 22.36352 125.3249       104.2986 135.0204       131.3019 108.7467       171.6933 64.39831 24.73855 64.22621 26.96558 0.1720963      36.59424 
1 1 1 -6  38 29 o 152.1832 12.73416 725.3248       112.6137 631.3071       146.9979 858.8945       175.2106 137.0013 18.78963 159.7038 19.08387 -22.70244      26.78141 
1 1 1 -6  38 30 o 49.25381 22.28552 -15.53529      137.9689 -339.4805      305.9329 67.16962       154.5809 54.83972 26.99401 58.46404 25.10204 -3.624321      36.86176 
1 1 1 -6  39 1  o 296.0081 16.41166 2704.779       283.7940 2704.779       283.7940 0.000000       0.000000 296.0081 16.41166 ?        ?        0.000000       16.41166 
1 1 1 -6  39 2  o 146.8327 13.14519 657.2292       112.0021 694.1922       116.8945 243.1723       391.2374 150.8449 13.35106 94.95600 40.32722 55.88891       42.47982 
1 1 1 -6  39 3  o 96.98923 19.41898 303.9313       106.6028 407.4980       111.7757 -737.9553      354.5254 113.6573 17.31494 54.77688 27.32022 58.88037       32.34503 
1 1 1 -6  39 4  o 244.1782 9.654406 1781.926       137.9832 1863.610       147.4413 1205.831       391.5595 249.5012 10.09704 177.2749 38.74598 72.22627       40.04000 
1 1 1 -6  39 5  o 92.99452 21.74699 286.1021       116.4767 272.0883       121.8067 435.7997       398.1067 90.19451 22.96876 107.2952 42.53185 -17.10067      48.33758 
1 1 1 -6  39 6  o 64.03378 23.47651 117.4824       115.3328 158.3243       122.4513 -203.4703      343.2662 70.86031 24.36658 68.74518 32.46691 2.115128       40.59348 
1 1 1 -6  39 7  o 81.60353 22.91741 222.6638       114.1678 190.9366       121.5166 461.4290       333.3535 76.04591 24.20716 108.6263 39.89811 -32.58040      46.66740 
1 1 1 -6  39 8  o 121.8286 16.29365 465.3174       113.5012 488.4457       121.0387 296.7782       326.7402 124.5092 17.02084 94.69574 38.19350 29.81351       41.81451 
1 1 1 -6  39 9  o 83.41557 21.41389 231.3803       105.2859 235.1874       111.3993 199.5220       322.2537 83.82197 22.28057 87.27428 36.80993 -3.452309      43.02784 
1 1 1 -6  39 10 o 48.45852 20.52232 20.34633       100.8409 -11.62806      109.1557 206.5621       263.4228 46.62429 20.53673 84.32351 34.19138 -37.69922      39.88493 
1 1 1 -6  39 11 o 53.40866 21.50649 56.04445       103.4184 44.69987       112.4381 118.3650       263.5329 53.41763 22.07455 77.25571 32.96332 -23.83809      39.67198 
1 1 1 -6  39 12 o 87.81814 23.15380 262.0223       120.9259 313.8479       132.7180 8.646551       293.4542 95.90310 23.72778 72.61484 32.71088 23.28826       40.41051 
1 1 1 -6  39 13 o 148.6682 13.76234 681.4055       118.6326 633.2770       131.8590 885.8508       271.7673 142.0144 16.11632 156.1759 30.76598 -14.16151      34.73156 
1 1 1 -6  39 14 o 186.9809 11.14361 1059.151       121.6464 1069.735       137.1505 1020.118       263.3860 187.1064 12.57147 170.9380 27.18174 16.16840       29.94810 
1 1 1 -6  39 15 o 66.49036 22.68738 142.7732       106.1053 158.4755       118.7364 80.52566       236.4087 69.61543 23.99192 70.88313 30.74046 -1.267693      38.99472 
1 1 1 -6  39 16 o 80.02782 22.59140 220.0518       110.6451 235.4890       126.4309 169.5533       228.6695 82.08158 24.44482 76.94942 31.60671 5.132164       39.95665 
1 1 1 -6  39 17 o 44.15335 19.86860 -28.85289      107.9382 31.26811       123.4646 -223.8105      222.3306 52.94272 22.57511 51.81000 24.92069 1.132721       33.62553 
1 1 1 -6  39 18 o 109.0904 17.80624 386.6994       109.9962 408.6887       129.3890 329.3895       208.8849 110.3859 20.74783 92.38911 31.82271 17.99677       37.98891 
1 1 1 -6  39 19 o 62.78997 22.98009 122.1285       110.4320 220.6913       127.6905 -170.3542      219.9642 78.97523 24.77305 53.47289 25.46647 25.50235       35.52809 
1 1 1 -6  39 20 o 43.57939 19.80808 -38.22131      110.5170 -70.44025      128.7044 52.22660       215.6438 44.60876 20.67526 65.44994 28.84570 -20.84118      35.49001 
1 1 1 -6  39 21 o 142.8279 13.87529 639.0060       114.7637 491.5188       132.0952 1093.031       231.7659 121.7095 19.13694 178.5282 22.64435 -56.81873      29.64775 
1 1 1 -6  39 22 o 143.7388 14.09504 649.7393       117.2943 722.3376       141.8036 492.4552       208.7211 149.8910 16.39827 111.0456 30.91466 38.84540       34.99456 
1 1 1 -6  39 23 o 84.45200 22.98119 255.3050       116.8358 160.6096       144.1753 436.4516       199.4075 69.14516 26.07369 103.9747 30.63247 -34.82953      40.22667 
1 1 1 -6  39 24 o 77.21306 23.61531 215.2807       116.8785 187.3059       145.3214 266.5232       196.6803 72.51627 26.38892 82.42108 30.57992 -9.904808      40.39191 
1 1 1 -6  39 25 o 92.05106 22.21070 301.2835       118.5186 236.8797       147.7142 417.6706       198.5725 79.20979 26.77193 100.7069 30.77746 -21.49708      40.79201 
1 1 1 -6  39 26 o 73.46305 21.87711 192.5824       101.2668 196.0244       124.2950 185.7868       174.6461 73.22129 24.55732 72.34224 28.32489 0.8790512      37.48815 
1 1 1 -6  39 27 o 36.11738 17.25057 -106.4189      102.4548 -182.0356      129.6103 19.53593       167.2777 37.51727 18.27621 56.07772 25.02122 -18.56045      30.98519 
1 1 1 -6  39 28 o 42.04715 18.92460 -18.98547      97.98019 5.829701       123.9316 -60.35228      160.0109 48.98988 21.71633 49.42583 22.95779 -0.4359512     31.60157 
1 1 1 -6  40 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  40 2  o 273.1116 10.59258 2242.066       169.3434 2214.227       183.5349 2401.481       439.1988 270.7616 11.58473 263.1381 28.93647 7.623535       31.16930 
1 1 1 -6  40 3  f 91.12639 21.79606 277.1849       114.9155 243.2555       118.9472 752.3975       445.1540 84.84393 23.22902 127.8799 46.23586 -43.03596      51.74303 
1 1 1 -6  40 4  o 157.0574 13.38757 755.7498       122.1392 789.6349       126.8019 320.2538       454.5833 160.4515 13.60316 99.31776 42.84872 61.13377       44.95618 
1 1 1 -6  40 5  o 192.5296 11.19897 1119.842       125.9062 1099.253       132.5137 1310.985       403.7642 190.3717 11.92879 182.1787 38.96912 8.192993       40.75399 
1 1 1 -6  40 6  o 38.92595 18.43950 -113.2166      112.3093 -114.9227      117.0920 -93.60263      397.0162 39.88108 18.87302 76.73595 35.81684 -36.85487      40.48503 
1 1 1 -6  40 7  o 42.28697 19.61485 -77.35393      116.1918 -62.37788      122.3301 -215.4463      371.4665 44.72366 20.52166 69.86392 33.22206 -25.14026      39.04925 
1 1 1 -6  40 8  o 41.94948 19.40195 -70.60252      112.4571 -99.29401      119.6679 146.1785       328.9363 41.41284 19.43725 83.00274 36.12593 -41.58990      41.02304 
1 1 1 -6  40 9  o 132.1207 15.45206 546.4028       117.4726 549.7621       125.5071 522.6566       333.6864 131.9146 16.58873 111.1413 40.05100 20.77329       43.35053 
1 1 1 -6  40 10 o 146.6048 13.42071 662.2577       114.1129 797.2367       126.0039 46.66367       269.0904 160.9185 13.47504 71.92374 31.93464 88.99477       34.66119 
1 1 1 -6  40 11 o 135.1582 14.40322 568.5635       112.4132 644.0778       124.8959 246.4255       257.9613 143.5597 15.05807 85.61163 34.13871 57.94803       37.31216 
1 1 1 -6  40 12 o 138.1891 15.03794 598.2445       119.9110 575.6280       134.2123 687.7239       266.9571 134.0643 17.48614 132.1001 34.19447 1.964188       38.40607 
1 1 1 -6  40 13 o 55.94008 23.22283 55.53652       125.2290 182.2212       136.7750 -601.2061      311.4169 73.56590 25.72756 51.44392 25.64958 22.12197       36.32917 
1 1 1 -6  40 14 o 114.0330 17.88339 421.4255       115.6701 441.2620       129.6171 343.8451       256.3337 115.5230 19.84615 93.49986 34.86822 22.02315       40.12060 
1 1 1 -6  40 15 o 117.6223 17.43165 446.6624       116.6141 520.3372       130.6650 158.3051       258.5026 126.6599 18.10461 77.22213 32.78732 49.43775       37.45377 
1 1 1 -6  40 16 o 74.41946 22.97733 191.4359       110.3256 196.1019       125.3564 175.4039       232.3637 75.05598 24.64554 76.72012 31.72169 -1.664139      40.17049 
1 1 1 -6  40 17 o 58.32186 22.78037 90.73946       112.7404 148.4734       129.5835 -89.05231      228.6752 67.76172 24.87783 58.39464 27.23166 9.367077       36.88455 
1 1 1 -6  40 18 o 145.8130 13.84605 664.9803       116.9866 799.8247       139.8630 350.9001       213.4551 159.0463 15.17825 93.43976 32.16958 65.60655       35.57051 
1 1 1 -6  40 19 o 128.4291 16.42082 531.2257       120.8571 564.2943       145.9674 459.1345       215.5207 129.9393 19.77730 106.2066 31.98271 23.73271       37.60366 
1 1 1 -6  40 20 o 64.26501 23.76110 132.8570       118.5614 222.0778       141.8839 -73.61471      215.8392 77.93385 26.23821 56.94949 26.52382 20.98436       37.30894 
1 1 1 -6  40 21 o 130.3322 16.21847 548.6325       121.2942 527.2170       143.0397 603.4459       228.8421 124.6895 20.25478 121.7866 31.72716 2.902916       37.64132 
1 1 1 -6  40 22 o 118.5801 18.17139 466.3361       122.3507 574.5475       147.5625 228.2928       218.8607 130.3689 19.93186 78.54678 31.40379 51.82208       37.19512 
1 1 1 -6  40 23 o 51.19656 21.86198 36.25640       116.0843 105.9981       137.9174 -133.2113      214.9891 61.61334 24.82691 53.26779 25.31412 8.345551       35.45673 
1 1 1 -6  40 24 o 50.46800 21.95186 23.49806       121.2961 -2.247279      150.0442 72.05702       206.0651 52.34632 23.50113 64.03993 28.21206 -11.69361      36.71815 
1 1 1 -6  40 25 o 59.03203 22.82206 105.4538       112.2550 190.8908       139.5809 -50.99213      188.8797 72.15253 25.91572 53.95798 25.02161 18.19456       36.02369 
1 1 1 -6  40 26 o 87.85558 21.47293 275.0415       109.6902 211.8256       140.9124 372.2519       174.7401 74.99777 26.12137 95.87415 28.78193 -20.87637      38.86805 
1 1 1 -6  40 27 o 172.2000 13.72538 939.7424       137.4680 1211.196       199.0256 692.0917       190.0995 190.6727 18.01140 137.1538 24.53394 53.51884       30.43559 
1 1 1 -6  41 1  o 207.1481 12.16833 1307.139       147.1789 1332.907       157.0817 1121.882       421.1826 208.7098 12.89610 158.3906 43.84759 50.31915       45.70471 
1 1 1 -6  41 2  o 201.6672 10.98724 1230.711       129.4585 1305.765       135.3759 428.0477       442.7115 207.6418 11.15768 102.3756 43.16005 105.2662       44.57896 
1 1 1 -6  41 3  o 128.9732 18.59488 536.6454       136.5932 546.5115       142.4135 423.2891       482.7271 129.7292 19.30550 102.2504 44.13479 27.47887       48.17242 
1 1 1 -6  41 4  o 156.6461 14.45640 761.9509       131.3124 827.8255       137.0229 20.68540       459.6434 163.3235 14.45427 83.50376 38.82875 79.81977       41.43185 
1 1 1 -6  41 5  o 77.24593 24.34997 204.6317       123.2194 220.3467       128.2729 16.89150       443.3587 79.78719 24.79954 82.23867 38.20445 -2.451477      45.54775 
1 1 1 -6  41 6  o 156.5636 14.45866 762.3938       131.2617 853.7627       138.6087 -31.58065      408.5964 165.7790 14.39910 78.02703 36.39161 87.75195       39.13673 
1 1 1 -6  41 7  o 56.44466 22.86529 67.79119       117.6790 8.045683       122.9522 719.8397       406.1846 50.62812 22.06026 121.7524 44.14552 -71.12428      49.35061 
1 1 1 -6  41 8  o 155.2908 13.60763 746.4212       122.6796 824.8919       130.1253 118.9993       367.9492 163.2294 13.71978 81.73771 36.74067 81.49174       39.21873 
1 1 1 -6  41 9  o 94.23310 21.50073 301.6421       116.1917 269.3645       123.2981 557.6832       347.2650 87.94832 23.46901 110.7434 40.71431 -22.79507      46.99414 
1 1 1 -6  41 10 o 61.49385 22.81546 112.3541       109.4830 26.46252       118.8382 594.3511       281.5160 51.66959 22.09333 118.7066 36.71305 -67.03705      42.84814 
1 1 1 -6  41 11 o 173.9049 12.37158 928.2922       125.3551 987.6334       140.2535 692.6452       279.4899 178.6626 13.48489 129.7463 35.64102 48.91631       38.10675 
1 1 1 -6  41 12 o 178.6649 13.14820 986.2766       136.8054 1034.837       142.0042 359.2665       510.2687 182.9018 13.32982 95.75628 43.13492 87.14550       45.14760 
1 1 1 -6  41 13 o 146.1187 14.57157 669.8796       123.2081 729.4994       140.0807 466.1496       258.9468 151.5425 16.00274 105.0364 35.44664 46.50613       38.89154 
1 1 1 -6  41 14 o 61.90036 28.92021 -86.91378      259.8641 0.000000       0.000000 -86.91378      259.8641 ?        ?        61.90036 28.92021 0.000000       28.92021 
1 1 1 -6  41 15 o 76.82683 24.23853 209.3666       122.0697 149.6901       137.8814 425.7134       262.5301 68.09725 25.53669 99.44424 35.56275 -31.34699      43.78164 
1 1 1 -6  41 16 o 115.8119 18.42588 442.6015       120.9618 521.8376       141.6538 229.2493       232.4423 124.7133 20.04629 80.20957 32.26211 44.50378       37.98286 
1 1 1 -6  41 17 o 94.72069 21.98121 313.4561       119.7474 405.6944       142.5292 92.09767       220.7985 107.0817 23.35460 68.03331 29.60445 39.04844       37.70758 
1 1 1 -6  41 18 o 39.87740 18.83923 -97.05749      115.7478 -41.82798      139.0401 -221.7397      208.9088 48.12244 22.00509 48.98049 23.70651 -0.8580513     32.34536 
1 1 1 -6  41 19 o 38.70787 18.34935 -100.7388      111.5978 -53.22217      130.8131 -227.7843      213.8985 45.77573 21.08352 49.28624 23.88625 -3.510509      31.86013 
1 1 1 -6  41 20 o 53.58131 22.38572 55.05830       117.4421 58.67971       139.6252 46.29926       217.1467 56.76330 24.09853 63.75053 28.47205 -6.987225      37.30143 
1 1 1 -6  41 21 o 48.62411 21.52982 2.799344       121.4742 -45.36576      141.0915 140.7816       238.8065 47.88479 21.99688 71.55659 30.96454 -23.67180      37.98244 
1 1 1 -6  41 22 o 50.02103 21.92765 16.46311       123.0878 79.54687       140.9565 -186.1078      252.5893 58.65696 24.51676 54.97660 26.47400 3.680363       36.08247 
1 1 1 -6  41 23 o 48.54002 22.03998 -23.47796      136.3881 7.108150       158.0591 -112.6421      269.8687 53.99191 24.18953 59.45781 28.28593 -5.465900      37.21864 
1 1 1 -6  41 24 o 89.39721 24.45544 299.0719       131.9016 208.9436       165.2964 457.0649       218.8525 74.47011 27.95331 102.1170 32.48415 -27.64690      42.85566 
1 1 1 -6  41 25 f 52.75856 22.49141 47.65194       122.5009 12.94188       155.7499 103.9532       198.3624 53.85018 24.07740 65.13508 28.20331 -11.28490      37.08298 
1 1 1 -6  42 1  o 138.3165 14.17181 596.5497       113.3371 612.1677       118.4087 425.8572       391.4520 139.8486 14.65429 99.50717 41.16098 40.34148       43.69181 
1 1 1 -6  42 2  o 107.9268 19.05763 383.0121       116.2188 385.9821       120.2782 341.2259       451.1512 107.9536 19.72422 95.11835 41.82943 12.83520       46.24657 
1 1 1 -6  42 3  o 55.19712 22.50732 62.37755       114.9067 82.17921       118.9985 -210.7910      441.9836 58.23636 23.19857 73.23482 35.20311 -14.99846      42.15961 
1 1 1 -6  42 4  o 58.86017 23.46302 84.71194       121.8087 183.5939       126.2633 -1242.942      462.6589 73.32637 24.75188 54.50492 27.67292 18.82145       37.12743 
1 1 1 -6  42 5  o 98.82603 22.11250 334.7234       124.9538 297.8621       129.7164 809.2391       465.4088 92.09867 23.83391 122.2481 46.67168 -30.14941      52.40516 
1 1 1 -6  42 6  o 140.5390 15.50502 624.0598       125.6750 623.8813       131.0731 626.0935       442.4783 140.0283 16.26267 110.5758 44.49972 29.45249       47.37826 
1 1 1 -6  42 7  o 57.90586 23.37866 77.66454       122.5592 65.14179       127.1560 241.5302       459.9717 56.99375 23.50601 89.61533 40.60497 -32.62158      46.91798 
1 1 1 -6  42 8  o 51.78564 22.22221 26.42483       121.0206 46.27601       126.6307 -182.8380      411.1422 54.74908 23.08226 71.21314 34.15845 -16.46406      41.22609 
1 1 1 -6  42 9  o 92.26657 22.97551 297.8415       123.8479 305.8930       130.6108 226.0773       389.9352 92.99403 23.83903 86.26540 38.36423 6.728622       45.16762 
1 1 1 -6  42 10 o 174.4101 13.02692 941.6179       132.2865 998.2759       144.6855 652.9044       326.6089 178.9663 13.89365 118.1724 39.80912 60.79390       42.16396 
1 1 1 -6  42 11 o 91.99642 23.70626 300.9442       128.7011 237.5475       144.0369 552.0058       286.6360 80.75739 26.41243 110.9846 37.29304 -30.22726      45.69888 
1 1 1 -6  42 12 o 56.33380 23.42174 62.78138       127.6576 109.7644       141.7704 -138.5809      293.4974 63.24541 25.27874 62.45258 29.64960 0.7928352      38.96297 
1 1 1 -6  42 13 o 94.37160 22.33675 312.2802       121.6933 403.4795       135.7857 -59.93642      274.3192 107.7341 22.22849 63.88396 29.80292 43.85009       37.17957 
1 1 1 -6  42 14 o 82.95738 23.73352 247.5242       121.3021 237.6392       139.7999 277.6393       244.0112 80.36147 26.00240 84.32486 33.33869 -3.963387      42.27993 
1 1 1 -6  42 15 o 103.9230 23.62799 386.4054       140.7384 280.7140       166.5788 650.0261       263.0810 85.31109 28.42584 122.5442 34.91743 -37.23315      45.02505 
1 1 1 -6  42 16 o 120.4630 20.86258 497.0267       142.0553 462.0049       152.8347 719.3583       385.0816 113.7205 23.68593 114.2358 42.70975 -0.5152969     48.83796 
1 1 1 -6  42 17 o 79.70703 24.31886 232.4126       124.0445 241.6280       147.8112 210.4664       228.1029 80.10554 26.77854 77.10424 31.60753 3.001297       41.42616 
1 1 1 -6  42 18 o 47.72506 21.20127 -2.641666      118.7582 -40.37310      143.7790 78.36845       210.6752 48.73963 22.32102 65.28561 28.65127 -16.54598      36.31973 
1 1 1 -6  42 19 o 67.08506 23.98274 156.3292       119.3848 213.1246       145.4511 39.06796       208.9959 75.54977 26.52285 62.07119 27.81187 13.47858       38.43126 
1 1 1 -6  42 20 o 43.26369 20.13980 -66.71770      124.1998 -13.74154      149.2989 -185.7618      223.8053 51.25812 23.18842 51.66761 24.89051 -0.4094887     34.01824 
1 1 1 -6  42 21 o 143.5168 16.06339 669.3788       132.8875 768.0119       152.3339 355.3498       271.8130 152.6408 17.32267 88.08950 35.07080 64.55132       39.11568 
1 1 1 -6  42 22 o 48.49630 21.92287 -16.57172      133.1569 -10.72325      152.9336 -34.89966      270.7314 51.84405 23.45972 62.74818 29.38202 -10.90413      37.59869 
1 1 1 -6  42 23 o 105.7329 22.71434 404.5864       136.6494 334.6530       164.7027 559.0561       244.7823 90.95091 28.07327 110.2118 34.25869 -19.26093      44.29183 
1 1 1 -6  43 1  o 65.49986 23.67756 138.5933       116.7350 144.0622       122.5844 85.35588       382.4669 66.62883 24.23819 78.80194 36.20567 -12.17311      43.56995 
1 1 1 -6  43 2  o 47.07862 20.94450 -11.39175      116.3261 -2.524398      121.4663 -109.5594      404.1505 48.82452 21.57807 72.51080 34.52940 -23.68628      40.71723 
1 1 1 -6  43 3  o 128.7527 21.11955 560.3732       153.9503 577.4673       164.7506 442.6702       432.3117 129.6331 22.48483 97.45094 41.91200 32.18219       47.56241 
1 1 1 -6  43 4  f 121.4994 18.78543 486.9270       129.5444 530.9987       136.4279 82.96027       413.0439 126.8684 18.91279 79.87274 37.02599 46.99569       41.57665 
1 1 1 -6  43 5  o 45.33892 20.63854 -39.50492      120.5376 47.50436       126.2313 -939.2633      405.9262 54.53323 23.02142 53.35851 26.95860 1.174713       35.45070 
1 1 1 -6  43 6  o 60.82106 23.36808 107.6254       117.1700 128.0370       121.9377 -138.1919      423.1613 64.06326 24.01678 72.31120 34.67697 -8.247948      42.18172 
1 1 1 -6  43 7  o 71.13292 24.65849 175.2193       125.4985 138.3740       131.4795 552.7805       420.8825 66.03056 24.89923 103.0125 42.65202 -36.98190      49.38791 
1 1 1 -6  43 8  o 93.32841 23.24482 309.4464       126.7487 351.2942       133.6496 -64.67870      399.6127 99.56640 23.30269 72.91582 34.61121 26.65057       41.72470 
1 1 1 -6  43 9  o 81.90723 24.41790 242.7793       126.1022 280.9787       133.0177 -96.20068      396.2495 87.81839 24.76329 71.47125 34.07795 16.34714       42.12513 
1 1 1 -6  43 10 o 56.26095 22.99317 72.23788       120.2534 31.37095       128.7273 352.3423       337.0115 52.90235 22.81253 90.26849 37.83163 -37.36613      44.17741 
1 1 1 -6  43 11 o 113.2024 19.93357 433.7096       127.5081 496.2173       138.2336 77.14822       330.1521 121.0406 20.18327 73.89008 33.83335 47.15051       39.39619 
1 1 1 -6  43 12 o 79.33610 24.47839 229.6864       125.2368 235.5757       136.0623 197.0322       320.3881 79.79620 25.63763 79.52502 35.09993 0.2711868      43.46600 
1 1 1 -6  43 13 o 157.9072 14.28183 787.7726       130.8339 890.0001       145.6363 360.1828       297.8513 167.2935 15.00276 90.09571 36.42033 77.19776       39.38939 
1 1 1 -6  43 14 o 55.20837 22.79480 66.52342       119.7547 90.16092       134.1749 -26.05358      265.5352 59.54954 24.30647 63.82792 29.62237 -4.278385      38.31826 
1 1 1 -6  43 15 o 62.26455 24.12153 119.1773       125.5953 73.27975       141.1814 293.2983       274.9846 58.29978 24.46329 84.26946 34.64175 -25.96968      42.40877 
1 1 1 -6  43 16 o 51.17068 22.55512 13.88256       131.8828 186.3556       160.6918 -342.0216      230.8338 72.15168 27.45341 47.12309 23.24387 25.02859       35.97176 
1 1 1 -6  43 17 o 60.40623 25.08880 91.92800       146.2599 95.86295       154.1645 56.48112       462.7045 61.51247 25.66973 76.79591 36.67420 -15.28345      44.76530 
1 1 1 -6  43 18 o 69.36502 24.65018 172.4186       125.9402 293.3910       165.3174 5.119359       194.4116 85.68169 28.31042 58.06329 26.34422 27.61840       38.67167 
1 1 1 -6  43 19 o 76.06253 25.61027 217.9337       135.1738 313.6853       172.5990 66.04116       217.3870 87.87627 28.92233 64.16594 28.58377 23.71033       40.66366 
1 1 1 -6  43 20 o 60.47441 24.45077 104.6185       134.2727 239.8274       165.5395 -155.4252      229.5739 78.09695 28.20073 53.30564 25.55723 24.79131       38.05855 
1 1 1 -6  44 1  o 114.2692 19.76834 440.1609       127.6867 495.8402       134.2020 -91.86508      414.8381 121.6370 19.46866 72.32704 34.59053 49.30992       39.69299 
1 1 1 -6  44 2  o 101.0086 21.82837 355.6336       125.5302 406.1914       132.1406 -112.0914      401.9180 108.3547 21.55274 70.87698 33.93753 37.47769       40.20294 
1 1 1 -6  44 3  o 89.67362 24.58087 293.8016       133.1027 279.8578       139.1980 442.6394       454.7774 86.86212 25.59405 94.64137 41.79309 -7.779243      49.00732 
1 1 1 -6  44 4  o 70.39172 25.54473 171.6956       136.0430 232.1292       143.1257 -393.9725      437.8843 79.17175 26.34808 65.38415 32.20577 13.78760       41.61049 
1 1 1 -6  44 5  o 132.1241 18.34730 577.2014       138.3379 709.2944       147.8908 -347.3077      391.2523 147.3836 17.44765 63.14520 30.97046 84.23839       35.54701 
1 1 1 -6  44 6  o 65.25282 24.75274 136.8168       130.3874 143.3186       138.2375 84.39841       392.5088 66.55074 25.42907 77.05257 35.84669 -10.50183      43.95023 
1 1 1 -6  44 7  o 96.26189 23.41601 332.9020       130.9119 352.6598       136.6553 112.5589       456.3598 98.81918 23.85337 80.41508 37.81054 18.40410       44.70593 
1 1 1 -6  44 8  o 113.4755 19.97020 437.2298       128.0519 471.3602       134.5140 107.3894       418.1664 117.7168 20.21183 78.73059 36.75137 38.98618       41.94260 
1 1 1 -6  44 9  o 85.15310 24.54770 266.9380       129.2973 224.1577       134.5786 780.1313       466.1161 77.89915 25.53364 111.3969 45.36588 -33.49774      52.05795 
1 1 1 -6  44 10 o 98.03962 22.89977 343.5973       129.2764 388.5994       139.2231 61.98669       348.2727 104.0604 23.38400 73.45110 34.03180 30.60931       41.29134 
1 1 1 -6  44 11 o 88.35712 24.14866 287.0099       128.6816 241.8669       139.0701 555.7514       339.3174 80.21487 25.93274 103.2186 39.73834 -23.00375      47.45148 
1 1 1 -6  44 12 o 95.20618 23.68709 330.6461       131.7211 330.3940       142.9068 332.0698       339.6288 93.78524 25.37231 86.63646 37.20308 7.148781       45.03136 
1 1 1 -6  44 13 o 147.6363 14.64340 695.4155       125.1211 610.0858       136.6257 1139.032       311.5204 135.8884 17.55316 165.2076 33.30328 -29.31921      37.64600 
1 1 1 -6  44 14 o 89.37684 22.38700 287.8000       117.0835 262.8753       130.1770 393.3380       267.8704 83.69078 24.77456 91.85325 35.32196 -8.162468      43.14418 
1 1 1 -6  44 15 o 73.58273 24.53261 199.6627       124.0704 163.3310       143.7256 305.9160       245.7887 68.45847 25.98351 84.29436 33.41761 -15.83590      42.33060 
1 1 1 -6  44 16 o 62.92498 24.16650 127.8507       125.2780 62.12324       154.6096 253.5053       213.7726 58.15387 25.03832 79.48571 31.27279 -21.33184      40.06126 
1 1 1 -6  44 17 o 95.81200 26.10818 353.9453       150.6732 608.8091       195.1535 -22.19867      237.0824 125.6650 27.26493 60.38576 28.01298 65.27920       39.09096 
1 1 1 -6  44 18 o 55.50561 24.48027 34.60395       155.5718 -3.689304      165.2472 333.1779       461.4227 53.69916 24.33385 84.53888 39.17005 -30.83972      46.11322 
1 1 1 -6  45 1  o 121.7727 18.02407 491.4895       124.8399 483.9150       131.0416 565.8776       410.6641 119.8480 19.29873 100.6166 41.93499 19.23138       46.16259 
1 1 1 -6  45 2  o 95.07238 23.43514 326.8610       129.8218 356.3195       137.1420 72.80472       402.7454 99.02496 23.89126 76.26585 35.75183 22.75912       42.99983 
1 1 1 -6  45 3  o 48.97723 21.68459 3.100700       123.2049 -14.63425      129.2399 179.8024       407.9454 48.39609 21.76248 80.58785 37.15870 -32.19176      43.06245 
1 1 1 -6  45 4  o 97.13256 24.21200 345.7341       137.4341 407.2791       145.6655 -153.1109      414.7089 105.8895 24.01098 69.19485 33.46872 36.69464       41.19080 
1 1 1 -6  45 5  o 63.91259 25.30749 124.5103       140.8086 140.2319       149.4851 0.7534307      419.4054 66.32359 26.13370 74.07726 35.24696 -7.753670      43.87845 
1 1 1 -6  45 6  o 100.9469 23.55037 369.5123       136.8609 404.8590       146.1255 116.9796       390.5804 105.2686 24.17877 76.96265 35.78915 28.30598       43.19116 
1 1 1 -6  45 7  o 99.56531 23.03207 357.3650       131.8150 378.1307       138.6867 163.2556       424.0186 101.9856 23.64777 79.65182 37.12362 22.33377       44.01567 
1 1 1 -6  45 8  o 85.60287 25.69605 278.6615       139.2838 280.8128       146.8741 259.4463       438.9488 85.33484 26.53890 83.46739 38.50737 1.867447       46.76677 
1 1 1 -6  45 9  o 114.3076 22.31083 463.4505       144.1986 540.7736       152.2050 -214.0585      450.5383 124.2761 21.67042 68.79659 33.63536 55.47946       40.01180 
1 1 1 -6  45 10 o 71.21269 25.65499 184.2659       136.9048 200.1180       149.3077 100.5687       343.0791 73.44691 26.74529 73.68725 34.01253 -0.2403412     43.26850 
1 1 1 -6  45 11 o 175.7784 14.59869 985.1016       149.1407 1090.649       165.5239 529.7023       343.8222 184.1078 15.47289 99.02225 39.43703 85.08559       42.36378 
1 1 1 -6  45 12 o 71.98400 26.02981 190.4004       141.0955 182.9399       156.6063 222.5650       325.1726 71.21518 27.10097 78.97472 35.08295 -7.759544      44.33144 
1 1 1 -6  45 13 o 109.6775 22.00776 427.4743       136.6343 467.0244       151.8144 258.8487       313.4737 113.2780 23.61786 80.64622 35.18082 32.63173       42.37327 
1 1 1 -6  45 14 o 51.89814 22.46370 34.92709       125.7503 28.11598       143.0458 58.09455       263.8186 53.53484 23.54773 66.61221 30.40336 -13.07736      38.45595 
1 1 1 -6  46 1  o 179.4674 13.00697 1009.394       135.9737 1077.511       146.8533 600.1035       359.9751 184.8629 13.64123 103.6120 40.63659 81.25086       42.86509 
1 1 1 -6  46 2  o 100.0874 21.40973 353.3145       121.8712 443.9894       132.8451 -128.4900      306.2226 113.0443 20.80399 61.95503 29.65411 51.08931       36.22392 
1 1 1 -6  46 3  o 138.5295 15.88961 622.4333       126.7600 598.3949       139.7823 733.7128       300.7513 133.8079 18.29055 122.7162 37.94547 11.09171       42.12366 
1 1 1 -6  46 4  o 62.97894 24.57750 125.0848       131.1352 250.8488       145.3249 -426.2158      304.2679 80.68735 26.53811 52.62680 26.08957 28.06055       37.21474 
1 1 1 -6  46 5  o 67.40786 25.17310 157.7660       133.6967 115.1963       143.5770 435.5204       366.7458 62.62730 25.29716 91.70043 38.99832 -29.07313      46.48457 
1 1 1 -6  46 6  o 62.50685 24.23323 123.8767       126.8316 151.7716       134.2086 -109.1432      387.8958 66.58296 25.14553 68.00120 32.76147 -1.418236      41.29905 
1 1 1 -6  46 7  f 191.7449 13.40353 1157.512       149.7787 1250.285       161.9574 609.3154       393.6928 198.7112 13.98656 101.4105 41.54264 97.30062       43.83395 
1 1 1 -6  46 8  o 64.10686 25.42983 130.0453       142.4115 43.02943       152.3845 730.3066       400.2321 56.09330 24.49823 108.9227 42.80983 -52.82940      49.32387 
1 1 1 -6  46 9  o 47.07546 21.80030 -54.30270      142.6451 -129.9598      150.1240 648.7698       457.6414 43.69795 20.87407 99.39354 42.93748 -55.69559      47.74258 
1 1 1 -6  46 10 o 165.9220 22.88562 984.4393       216.7737 1179.436       271.0300 638.2242       361.1405 175.6829 27.18181 104.4325 40.77732 71.25044       49.00654 
1 1 1 -5  0  1  o 300.3389 9.281715 2653.936       163.1359 2653.936       163.1359 2653.936       163.1359 300.3389 9.281715 300.3389 9.281715 0.000000       0.000000 
1 1 1 -5  0  2  o 470.1415 12.10446 6499.654       333.2526 6499.654       333.2526 6499.654       333.2526 470.1415 12.10446 470.1415 12.10446 0.000000       0.000000 
1 1 1 -5  0  3  o 230.2984 8.650524 1562.472       116.4632 1562.472       116.4632 1562.472       116.4632 230.2984 8.650524 230.2984 8.650524 0.000000       0.000000 
1 1 1 -5  0  4  o 30.59404 17.21296 36.51467       46.87618 36.51467       46.87618 36.51467       46.87618 30.59404 17.21296 30.59404 17.21296 0.000000       0.000000 
1 1 1 -5  0  5  o 35.38800 17.91333 53.98743       46.23227 53.98743       46.23227 53.98743       46.23227 35.38800 17.91333 35.38800 17.91333 0.000000       0.000000 
1 1 1 -5  0  6  o 20.31120 13.41451 -9.544147      41.34214 -9.544147      41.34214 -9.544147      41.34214 20.31120 13.41451 20.31120 13.41451 -0.000000      0.000000 
1 1 1 -5  0  7  o 477.8139 12.15645 6714.675       340.1579 6714.675       340.1579 6714.675       340.1579 477.8139 12.15645 477.8139 12.15645 0.000000       0.000000 
1 1 1 -5  0  8  o 180.7985 7.874562 964.4531       83.13586 964.4531       83.13586 964.4531       83.13586 180.7985 7.874562 180.7985 7.874562 0.000000       0.000000 
1 1 1 -5  0  9  f 189.0424 7.865958 1053.980       86.86494 1053.980       86.86494 1053.980       86.86494 189.0424 7.865958 189.0424 7.865958 -0.000000      0.000000 
1 1 1 -5  0  10 o 34.28056 16.69156 50.82705       39.44353 50.82705       39.44353 50.82705       39.44353 34.28056 16.69156 34.28056 16.69156 -0.000000      0.000000 
1 1 1 -5  0  11 o 402.7371 10.71216 4772.574       252.6120 4772.574       252.6120 4772.574       252.6120 402.7371 10.71216 402.7371 10.71216 -0.000000      0.000000 
1 1 1 -5  0  12 o 503.0413 12.63412 7447.237       372.2029 7447.237       372.2029 7447.237       372.2029 503.0413 12.63412 503.0413 12.63412 -0.000000      0.000000 
1 1 1 -5  0  13 o 137.3789 7.950584 559.2874       63.56232 559.2874       63.56232 559.2874       63.56232 137.3789 7.950584 137.3789 7.950584 0.000000       0.000000 
1 1 1 -5  0  14 o 811.6350 19.01993 19400.22       904.2347 19400.22       904.2347 19400.22       904.2347 811.6350 19.01993 811.6350 19.01993 -0.000000      0.000000 
1 1 1 -5  0  15 o 150.3125 8.116177 668.5723       71.06820 668.5723       71.06820 668.5723       71.06820 150.3125 8.116177 150.3125 8.116177 -0.000000      0.000000 
1 1 1 -5  0  16 o 751.3249 17.73653 16607.55       780.5485 16607.55       780.5485 16607.55       780.5485 751.3249 17.73653 751.3249 17.73653 -0.000000      0.000000 
1 1 1 -5  0  17 o 634.9528 15.34426 11856.79       570.6433 11856.79       570.6433 11856.79       570.6433 634.9528 15.34426 634.9528 15.34426 -0.000000      0.000000 
1 1 1 -5  0  18 o 359.4712 10.21347 3800.387       214.9286 3800.387       214.9286 3800.387       214.9286 359.4712 10.21347 359.4712 10.21347 0.000000       0.000000 
1 1 1 -5  0  19 o 727.1116 14.49752 15539.25       617.6688 15539.25       617.6688 15539.25       617.6688 727.1116 14.49752 727.1116 14.49752 0.000000       0.000000 
1 1 1 -5  0  20 o 758.1385 15.11774 16896.72       671.5774 16896.72       671.5774 16896.72       671.5774 758.1385 15.11774 758.1385 15.11774 -0.000000      0.000000 
1 1 1 -5  0  21 o 596.6311 12.46757 10462.17       435.8228 10462.17       435.8228 10462.17       435.8228 596.6311 12.46757 596.6311 12.46757 0.000000       0.000000 
1 1 1 -5  0  22 o 640.2527 12.95945 12049.20       486.1686 12049.20       486.1686 12049.20       486.1686 640.2527 12.95945 640.2527 12.95945 0.000000       0.000000 
1 1 1 -5  0  23 f 552.0683 11.44704 8958.184       370.2670 8958.184       370.2670 8958.184       370.2670 552.0683 11.44704 552.0683 11.44704 -0.000000      0.000000 
1 1 1 -5  0  24 o 32.63969 19.82924 28.40367       70.74231 28.40367       70.74231 28.40367       70.74231 32.63969 19.82924 32.63969 19.82924 -0.000000      0.000000 
1 1 1 -5  0  25 o 135.2666 10.43392 546.6932       81.61043 546.6932       81.61043 546.6932       81.61043 135.2666 10.43392 135.2666 10.43392 0.000000       0.000000 
1 1 1 -5  0  26 o 175.9866 8.533438 915.4512       87.60116 915.4512       87.60116 915.4512       87.60116 175.9866 8.533438 175.9866 8.533438 0.000000       0.000000 
1 1 1 -5  0  27 o 369.9491 8.869153 4025.139       192.1810 4025.139       192.1810 4025.139       192.1810 369.9491 8.869153 369.9491 8.869153 0.000000       0.000000 
1 1 1 -5  0  28 o 581.5533 11.86716 9954.937       404.3695 9954.937       404.3695 9954.937       404.3695 581.5533 11.86716 581.5533 11.86716 0.000000       0.000000 
1 1 1 -5  0  29 o 210.4550 8.488054 1306.998       104.3773 1306.998       104.3773 1306.998       104.3773 210.4550 8.488054 210.4550 8.488054 -0.000000      0.000000 
1 1 1 -5  0  30 o 241.4606 7.959340 1717.689       112.4352 1717.689       112.4352 1717.689       112.4352 241.4606 7.959340 241.4606 7.959340 -0.000000      0.000000 
1 1 1 -5  0  31 o 467.6904 10.32530 6440.251       282.9005 6440.251       282.9005 6440.251       282.9005 467.6904 10.32530 467.6904 10.32530 0.000000       0.000000 
1 1 1 -5  0  32 o 144.6840 10.99036 626.2534       91.98917 626.2534       91.98917 626.2534       91.98917 144.6840 10.99036 144.6840 10.99036 0.000000       0.000000 
1 1 1 -5  0  33 o 22.96121 16.17796 -99.40228      86.04150 -99.40228      86.04150 -99.40228      86.04150 22.96121 16.17796 22.96121 16.17796 -0.000000      0.000000 
1 1 1 -5  0  34 o 125.3721 15.17282 483.2769       107.2224 483.2769       107.2224 483.2769       107.2224 125.3721 15.17282 125.3721 15.17282 0.000000       0.000000 
1 1 1 -5  0  35 o 293.9016 9.790396 2547.771       168.3287 2547.771       168.3287 2547.771       168.3287 293.9016 9.790396 293.9016 9.790396 -0.000000      0.000000 
1 1 1 -5  0  36 o 76.06332 25.70278 221.7071       102.5433 221.7071       102.5433 221.7071       102.5433 76.06332 25.70278 76.06332 25.70278 0.000000       0.000000 
1 1 1 -5  0  37 o 64.16469 27.07650 173.8354       102.7963 173.8354       102.7963 173.8354       102.7963 64.16469 27.07650 64.16469 27.07650 -0.000000      0.000000 
1 1 1 -5  0  38 o 494.4512 11.21471 7215.060       324.8309 7215.060       324.8309 7215.060       324.8309 494.4512 11.21471 494.4512 11.21471 -0.000000      0.000000 
1 1 1 -5  0  39 o 144.7643 14.68661 638.6663       121.5104 638.6663       121.5104 638.6663       121.5104 144.7643 14.68661 144.7643 14.68661 -0.000000      0.000000 
1 1 1 -5  0  40 o 89.15807 26.56901 293.3495       120.9126 293.3495       120.9126 293.3495       120.9126 89.15807 26.56901 89.15807 26.56901 0.000000       0.000000 
1 1 1 -5  0  41 o 149.7933 14.82951 684.9285       127.1341 684.9285       127.1341 684.9285       127.1341 149.7933 14.82951 149.7933 14.82951 -0.000000      0.000000 
1 1 1 -5  0  42 o 155.6799 14.15605 737.9635       126.6655 737.9635       126.6655 737.9635       126.6655 155.6799 14.15605 155.6799 14.15605 -0.000000      0.000000 
1 1 1 -5  0  43 o 45.02871 26.34385 79.43869       116.2642 79.43869       116.2642 79.43869       116.2642 45.02871 26.34385 45.02871 26.34385 0.000000       0.000000 
1 1 1 -5  0  44 o 67.36521 28.58158 199.6557       114.4348 199.6557       114.4348 199.6557       114.4348 67.36521 28.58158 67.36521 28.58158 -0.000000      0.000000 
1 1 1 -5  0  45 o 46.70895 29.17503 61.14605       163.4962 61.14605       163.4962 61.14605       163.4962 46.70895 29.17503 46.70895 29.17503 -0.000000      0.000000 
1 1 1 -5  0  46 o 35.09400 23.25447 -16.65074      125.8997 -16.65074      125.8997 -16.65074      125.8997 35.09400 23.25447 35.09400 23.25447 -0.000000      0.000000 
1 1 1 -5  0  47 o 48.65681 28.40178 102.9778       134.6314 102.9778       134.6314 102.9778       134.6314 48.65681 28.40178 48.65681 28.40178 0.000000       0.000000 
1 1 1 -5  0  48 o 30.24154 21.08117 -106.0670      135.0708 -106.0670      135.0708 -106.0670      135.0708 30.24154 21.08117 30.24154 21.08117 0.000000       0.000000 
1 1 1 -5  0  49 o 148.7483 20.00369 721.3209       165.6463 721.3209       165.6463 721.3209       165.6463 148.7483 20.00369 148.7483 20.00369 0.000000       0.000000 
1 1 1 -5  0  50 o 46.61356 28.92273 78.76196       158.0006 78.76196       158.0006 78.76196       158.0006 46.61356 28.92273 46.61356 28.92273 -0.000000      0.000000 
1 1 1 -5  0  51 o 26.38205 19.20145 -336.1132      170.7297 -336.1132      170.7297 -336.1132      170.7297 26.38205 19.20145 26.38205 19.20145 0.000000       0.000000 
1 1 1 -5  1  1  o 363.8190 7.237208 3883.674       154.4212 3727.898       213.6861 4053.946       223.4073 356.1980 10.23965 371.4589 10.26485 -15.26089      14.49888 
1 1 1 -5  1  2  o 427.0982 7.979306 5352.811       199.8680 5348.825       282.5942 5356.800       282.7181 426.6388 11.30408 426.9572 11.30058 -0.3183594     15.98391 
1 1 1 -5  1  3  o 587.2478 10.12931 10124.11       348.8604 9971.929       487.9571 10283.23       498.9529 582.4905 14.28375 591.5034 14.38307 -9.012878      20.27063 
1 1 1 -5  1  4  o 206.5456 5.831251 1252.461       70.56564 1193.815       98.95425 1313.144       100.6573 201.5167 8.391205 211.3798 8.134724 -9.863113      11.68700 
1 1 1 -5  1  5  o 110.7810 6.411036 361.2540       41.47484 402.4033       59.39497 322.0952       57.94063 116.7657 8.736630 104.3108 9.577998 12.45490       12.96406 
1 1 1 -5  1  6  o 327.5864 6.696077 3148.622       128.6461 3150.240       182.2273 3147.014       181.6404 327.4385 9.499317 327.2725 9.473485 0.1660767      13.41581 
1 1 1 -5  1  7  o 230.8524 5.809417 1564.480       78.59089 1550.867       111.2853 1578.024       111.0038 229.7139 8.273896 231.7247 8.180822 -2.010818      11.63543 
1 1 1 -5  1  8  o 855.4738 14.08544 21528.69       706.6879 21996.24       1016.389 21091.13       983.2497 863.2985 20.07468 845.4158 19.83092 17.88263       28.21805 
1 1 1 -5  1  9  o 415.7773 7.726944 5074.954       188.4166 5062.081       266.3283 5087.854       266.5944 414.8698 10.95558 415.9273 10.93856 -1.057434      15.48150 
1 1 1 -5  1  10 o 209.8084 5.577060 1292.606       68.56357 1343.277       98.42613 1244.838       95.56425 213.7411 7.865261 205.7443 7.934729 7.996841       11.17239 
1 1 1 -5  1  11 o 405.7846 7.593312 4834.866       180.7080 4787.077       254.2187 4883.677       256.9221 403.3645 10.75591 407.4161 10.76200 -4.051575      15.21546 
1 1 1 -5  1  12 o 413.7362 7.697679 5025.973       186.7815 5123.669       267.3834 4932.866       261.0290 417.3260 10.93409 409.4831 10.87895 7.842896       15.42420 
1 1 1 -5  1  13 o 418.3102 7.762307 5136.830       190.4319 5111.750       268.6314 5162.167       269.9966 416.9131 10.99613 418.9653 10.99779 -2.052216      15.55205 
1 1 1 -5  1  14 o 364.0717 7.088118 3889.666       151.3451 3936.239       215.6651 3844.477       212.4400 365.9717 10.05759 361.6801 10.02490 4.291595       14.20048 
1 1 1 -5  1  15 o 393.0034 7.458162 4532.097       171.9011 4586.852       244.9670 4478.977       241.2846 395.0975 10.58142 390.4231 10.54730 4.674408       14.94028 
1 1 1 -5  1  16 o 670.0563 11.30675 13183.05       444.3239 13112.22       625.7579 13255.08       631.0127 667.8151 15.97716 671.4380 16.02439 -3.622925      22.62854 
1 1 1 -5  1  17 o 376.9034 7.336117 4167.849       162.1611 4143.957       228.7621 4191.980       229.9031 375.5773 10.39566 377.7495 10.38730 -2.172211      14.69578 
1 1 1 -5  1  18 o 255.4906 5.875021 1914.799       88.03082 1817.400       189.0743 1941.756       99.46971 248.3972 13.02432 257.1863 6.600116 -8.789032      14.60118 
1 1 1 -5  1  19 o 807.9883 13.75039 19182.98       651.5842 19293.05       1276.187 19144.18       757.8010 807.5220 26.98484 806.8780 16.01389 0.6440430      31.37875 
1 1 1 -5  1  20 o 149.4121 8.040893 657.0036       70.20010 656.1085       94.48538 658.1066       104.8825 149.0850 10.88130 149.1971 12.08999 -0.1121216     16.26563 
1 1 1 -5  1  21 o 348.1585 6.523806 3556.367       133.2075 3460.964       181.9581 3666.546       195.5423 343.2536 9.046580 353.2813 9.446247 -10.02771      13.07946 
1 1 1 -5  1  22 o 445.2114 7.005849 5816.318       182.9269 5831.699       258.0970 5800.792       259.3026 445.6504 9.875025 444.4634 9.947646 1.186920       14.01684 
1 1 1 -5  1  23 o 294.3990 5.940453 2542.961       102.5667 2575.741       145.1660 2510.286       144.9367 296.0898 8.368097 292.2939 8.463805 3.795898       11.90215 
1 1 1 -5  1  24 o 359.6591 6.288094 3796.052       132.6357 3752.929       185.9817 3840.685       189.2104 357.4761 8.871004 361.6283 8.921382 -4.152252      12.58117 
1 1 1 -5  1  25 o 496.1037 7.477401 7226.232       217.5573 7206.832       305.4561 7246.206       309.9377 495.1327 10.51905 496.4685 10.64467 -1.335846      14.96528 
1 1 1 -5  1  26 o 573.4979 9.237384 9666.424       310.6929 9457.953       386.6813 10046.17       521.8889 566.9057 11.63033 583.3192 15.26844 -16.41345      19.19349 
1 1 1 -5  1  27 o 273.2310 6.298894 2191.886       100.9357 2329.012       169.7453 2116.878       125.5420 281.1691 10.31136 268.2962 7.987444 12.87283       13.04313 
1 1 1 -5  1  28 o 626.1170 9.063604 11529.72       332.8181 11451.13       466.7717 11611.00       474.6797 623.0709 12.77369 627.3682 12.90113 -4.297363      18.15506 
1 1 1 -5  1  29 o 192.7479 7.132194 1093.165       80.48475 1167.810       98.31062 941.4529       140.1556 199.0962 8.438649 178.0184 13.52564 21.07779       15.94220 
1 1 1 -5  1  30 o 113.2834 8.320532 379.5164       54.89431 345.0844       76.10739 416.8532       79.25264 107.4247 12.30178 118.3152 11.56916 -10.89057      16.88725 
1 1 1 -5  1  31 o 136.3399 7.282237 548.0533       58.01762 516.5590       78.81560 585.3045       85.71677 131.9909 10.26222 140.5179 10.47660 -8.527008      14.66534 
1 1 1 -5  1  32 o 153.5319 7.270875 694.6303       65.28300 728.5333       93.24789 662.0383       91.42724 156.8800 10.19007 149.4737 10.49615 7.406296       14.62897 
1 1 1 -5  1  33 o 689.5666 9.813502 14012.03       396.8723 13897.23       553.5591 14133.44       569.2960 685.1125 13.77690 690.7766 14.05238 -5.664001      19.67924 
1 1 1 -5  1  34 o 204.4725 7.589871 1231.247       90.85847 1378.789       131.5983 1096.853       125.5982 216.0007 10.41903 192.4788 11.17432 23.52190       15.27814 
1 1 1 -5  1  35 o 164.0650 8.544233 794.5017       81.92954 839.5229       118.7588 753.6149       113.1746 168.1201 12.12616 159.2252 12.21278 8.894974       17.21034 
1 1 1 -5  1  36 o 244.5188 6.983148 1759.769       100.0389 1680.702       139.3560 1843.838       143.6967 238.4934 9.985285 249.8485 9.825780 -11.35506      14.00899 
1 1 1 -5  1  37 o 414.7430 7.200265 5061.696       175.1371 5089.870       248.8141 5034.029       246.5637 415.1621 10.21896 412.8887 10.18229 2.273346       14.42589 
1 1 1 -5  1  38 o 183.1110 8.324286 990.5112       89.16096 966.3275       128.2028 1013.166       124.0834 180.0933 12.21026 184.5825 11.51975 -4.489227      16.78675 
1 1 1 -5  1  39 o 119.9617 11.62623 430.7190       80.77171 405.6783       109.7636 460.2932       119.2866 115.1359 16.74588 122.6939 17.03650 -7.558022      23.88863 
1 1 1 -5  1  40 o 278.4896 7.317223 2287.547       119.4069 2389.913       173.8859 2196.202       164.2587 283.8015 10.46510 272.0880 10.31230 11.71353       14.69224 
1 1 1 -5  1  41 o 142.0410 10.84754 602.8882       89.68045 604.3932       128.5712 601.4620       125.1525 140.7564 15.85011 140.5491 15.43690 0.2073364      22.12519 
1 1 1 -5  1  42 o 151.9417 9.936378 689.3662       88.05743 721.2790       125.1382 658.0643       123.9346 154.1014 13.99887 146.9271 14.57459 7.174332       20.20859 
1 1 1 -5  1  43 o 67.02873 20.05681 143.6292       84.95893 247.6817       122.2878 46.54751       118.1206 86.33250 23.51889 55.15701 22.69241 31.17550       32.68155 
1 1 1 -5  1  44 o 115.1851 12.81300 406.0433       85.09288 511.4330       128.9475 324.7465       113.2532 127.1742 17.77348 99.90519 20.02709 27.26901       26.77650 
1 1 1 -5  1  45 o 81.10156 19.17797 215.7012       89.77496 180.2962       127.6361 250.3669       126.2964 74.05084 24.88569 85.62363 24.12436 -11.57279      34.65952 
1 1 1 -5  1  46 o 158.5124 15.68453 788.2480       143.8999 788.2480       143.8999 0.000000       0.000000 158.5124 15.68453 ?        ?        0.000000       15.68453 
1 1 1 -5  1  47 o 43.87841 19.10939 1.128296       92.15852 14.01137       130.1023 -11.84609      130.5625 52.22558 22.72534 49.92229 22.20060 2.303291       31.76960 
1 1 1 -5  1  48 o 109.9487 15.95156 387.3884       99.85938 448.5093       139.6198 323.3782       142.8817 114.7332 21.54033 94.54782 25.27949 20.18541       33.21202 
1 1 1 -5  1  49 o 141.8863 13.50539 630.0174       111.0286 611.0873       159.3677 647.8710       154.7695 134.1480 20.94036 139.4352 19.45514 -5.287186      28.58323 
1 1 1 -5  1  50 o 154.2902 12.95810 742.7748       116.1722 922.0688       169.5636 584.1631       159.4841 168.0754 17.45589 130.0293 21.67610 38.04607       27.83094 
1 1 1 -5  1  51 o 58.36811 24.30769 78.46637       137.8252 90.67685       278.9500 74.52284       158.5267 70.50361 31.81409 60.08070 25.59846 10.42291       40.83403 
1 1 1 -5  2  1  o 586.9485 10.14553 10113.81       349.2409 10109.72       493.7180 10117.90       494.0847 586.4960 14.35368 586.7327 14.35855 -0.2366943     20.30261 
1 1 1 -5  2  2  o 173.0691 6.073305 879.7730       61.54906 861.0065       85.67499 899.7883       88.47981 171.0702 8.566697 174.8842 8.653546 -3.813995      12.17671 
1 1 1 -5  2  3  o 90.31203 7.484548 240.9613       39.28686 246.0631       53.42398 234.9533       57.97460 90.98511 10.18653 88.72247 11.40526 2.262634       15.29200 
1 1 1 -5  2  4  o 329.4454 6.784315 3184.329       131.0811 3188.470       185.7655 3180.222       184.9901 329.4310 9.625340 329.0061 9.597508 0.4248962      13.59262 
1 1 1 -5  2  5  o 67.00071 8.653028 133.9436       33.20831 148.1802       45.69543 118.0090       48.34366 70.11871 11.51098 62.16278 13.63626 7.955929       17.84518 
1 1 1 -5  2  6  o 268.1525 6.137524 2109.591       96.52184 2185.029       139.3488 2040.016       133.8238 272.6973 8.724308 263.4867 8.671940 9.210602       12.30106 
1 1 1 -5  2  7  o 356.8302 7.028944 3736.420       147.0965 3792.535       210.8293 3683.193       205.3313 359.2279 10.01693 354.0168 9.899366 5.211060       14.08319 
1 1 1 -5  2  8  o 681.6855 11.47876 13656.53       458.9123 13877.69       657.0853 13445.93       641.2062 686.4159 16.32240 675.6793 16.18104 10.73657       22.98362 
1 1 1 -5  2  9  o 100.1129 6.363113 295.3196       37.16695 278.2952       52.77753 312.0688       52.34908 96.88137 9.407047 102.7108 8.774410 -5.829399      12.86401 
1 1 1 -5  2  10 o 312.7801 6.491824 2871.457       119.0848 2855.901       168.6392 2886.928       168.1845 311.6475 9.236847 313.3442 9.161790 -1.696716      13.00991 
1 1 1 -5  2  11 f 441.7328 8.072536 5730.355       209.1319 5789.329       298.0144 5673.134       293.5503 443.5203 11.46668 439.0518 11.40997 4.468506       16.17628 
1 1 1 -5  2  12 o 374.8914 7.217442 4125.774       158.6862 4230.489       228.1068 4027.572       220.8992 379.2698 10.26453 370.0635 10.18781 9.206329       14.46209 
1 1 1 -5  2  13 o 366.9297 7.121810 3951.619       153.2582 3933.311       216.5233 3970.001       216.9571 365.7743 10.10315 367.4802 10.07627 -1.705841      14.26902 
1 1 1 -5  2  14 o 733.3244 12.24488 15802.75       526.6246 15955.09       750.0688 15654.64       739.5618 736.0620 17.37546 729.1129 17.29535 6.949158       24.51602 
1 1 1 -5  2  15 o 387.9940 7.403965 4417.195       168.4767 4436.893       239.3261 4397.844       237.2121 388.5913 10.51103 386.8798 10.46428 1.711578       14.83182 
1 1 1 -5  2  16 o 250.9240 5.520945 1846.886       81.24677 1850.169       181.8023 1846.066       90.82053 250.6838 12.40434 250.8585 6.173119 -0.1747131     13.85550 
1 1 1 -5  2  17 o 546.1360 8.778970 8752.922       281.1867 8351.280       592.2459 8869.807       319.4925 532.3771 18.99893 549.7130 9.910013 -17.33588      21.42820 
1 1 1 -5  2  18 o 239.9351 5.717844 1688.705       80.45937 1849.904       187.3313 1652.242       89.09583 250.6335 12.78669 237.2339 6.409560 13.39963       14.30321 
1 1 1 -5  2  19 o 650.1389 10.12664 12408.41       386.1200 11854.98       819.6425 12566.26       437.7337 633.7744 22.08531 654.1630 11.40968 -20.38867      24.85844 
1 1 1 -5  2  20 o 279.0532 6.647233 2284.635       108.7874 1996.979       221.7958 2375.760       124.8349 260.2351 14.59082 284.4460 7.489687 -24.21085      16.40084 
1 1 1 -5  2  21 o 191.3551 6.739963 1075.692       75.52130 978.9086       97.32608 1222.153       119.7268 182.3857 9.127890 203.7746 10.04922 -21.38892      13.57591 
1 1 1 -5  2  22 o 863.1708 11.92771 21891.53       603.8157 21852.21       853.2768 21930.96       854.5732 861.5377 16.88749 863.0895 16.88274 -1.551880      23.87916 
1 1 1 -5  2  23 o 626.1141 8.915342 11510.42       327.3724 11458.96       460.3218 11563.08       465.6735 624.3131 12.57212 627.1314 12.66113 -2.818298      17.84271 
1 1 1 -5  2  24 f 166.5452 6.473771 815.2523       63.11200 761.0405       86.68793 876.3939       92.06199 160.7022 9.236763 172.4977 9.132651 -11.79549      12.98935 
1 1 1 -5  2  25 o 34.52612 14.60402 1.998930       50.96194 -32.47932      69.92260 41.06620       74.43060 35.84007 16.07056 47.58717 18.53188 -11.74710      24.52944 
1 1 1 -5  2  26 o 190.6076 6.100858 1067.525       68.11174 1088.202       93.24171 1043.867       99.73489 192.2844 8.287748 188.2504 9.060195 4.033997       12.27900 
1 1 1 -5  2  27 f 401.9736 6.584982 4744.711       155.2397 4562.149       212.4991 4953.655       227.3351 393.9083 9.198384 410.4326 9.444393 -16.52432      13.18358 
1 1 1 -5  2  28 o 428.4750 6.896656 5392.915       173.3064 5575.657       253.4171 5232.358       237.5374 435.2706 9.927183 421.7060 9.604433 13.56461       13.81282 
1 1 1 -5  2  29 o 396.1582 6.530103 4610.142       151.7187 4534.541       209.6387 4693.289       219.8508 392.5741 9.105406 399.3444 9.387066 -6.770264      13.07767 
1 1 1 -5  2  30 o 125.7138 7.840606 466.5291       57.51957 494.2870       78.97520 435.1703       83.94169 129.0823 10.52338 120.8392 12.00307 8.243050       15.96293 
1 1 1 -5  2  31 o 421.6035 6.741672 5223.972       166.6949 5186.415       233.7995 5262.805       237.7341 419.6230 9.500220 422.6842 9.590141 -3.061188      13.49907 
1 1 1 -5  2  32 o 423.0039 6.840699 5259.548       169.7053 5079.657       228.6048 5480.383       253.2878 415.2692 9.386530 431.2042 10.01569 -15.93500      13.72665 
1 1 1 -5  2  33 o 371.1869 6.628717 4049.277       144.3021 4024.611       201.1838 4075.414       207.0924 369.5415 9.290172 371.8247 9.504549 -2.283203      13.29074 
1 1 1 -5  2  34 o 149.3088 8.826715 658.5571       76.94722 625.0964       108.8786 691.9456       108.7611 144.8270 12.95534 152.5532 12.25945 -7.726181      17.83634 
1 1 1 -5  2  35 o 35.62408 15.96334 -30.29945      68.87050 -164.0066      95.12634 116.9859       99.83971 32.45809 15.77664 64.64006 22.00829 -32.18197      27.07891 
1 1 1 -5  2  36 o 349.9496 6.770258 3600.990       138.9509 3646.490       198.0930 3556.919       194.9570 351.5351 9.617411 347.1952 9.583637 4.339905       13.57721 
1 1 1 -5  2  37 o 221.8426 7.191882 1449.735       93.44666 1482.476       132.3281 1417.167       131.9796 223.8446 10.10594 218.8077 10.31378 5.036865       14.43967 
1 1 1 -5  2  38 o 140.9136 10.33542 590.1935       84.82030 498.1743       117.5471 690.1553       122.5152 128.1396 15.98839 151.6606 13.92967 -23.52098      21.20529 
1 1 1 -5  2  39 o 248.3923 7.229030 1818.884       105.1977 1861.128       144.4927 1771.238       153.4556 250.6978 9.846693 244.3337 10.73520 6.364151       14.56715 
1 1 1 -5  2  40 o 110.4880 13.89151 370.0460       88.03010 390.7187       125.4073 349.9652       123.5991 111.8223 19.84946 105.4222 20.73005 6.400093       28.70081 
1 1 1 -5  2  41 o 254.3429 7.652957 1911.405       114.0263 1889.704       159.4986 1934.090       163.0760 251.9460 10.81963 254.8517 10.93614 -2.905716      15.38387 
1 1 1 -5  2  42 o 44.37072 19.25055 -5.110280      92.78870 -128.0066      163.6783 53.08860       112.6365 49.20398 22.97647 55.45764 22.40440 -6.253654      32.09167 
1 1 1 -5  2  43 o 49.62057 19.31320 53.35537       80.80424 -58.26751      119.7012 146.8055       109.5246 44.99115 20.51367 68.64857 23.05239 -23.65742      30.85811 
1 1 1 -5  2  44 o 44.21147 18.23909 25.35396       76.58455 -72.79420      110.1651 117.1486       106.5397 41.52164 19.20377 63.12789 22.64552 -21.60625      29.69183 
1 1 1 -5  2  45 o 52.67914 19.75841 72.45467       82.55086 62.91187       121.9731 80.52023       112.1355 57.03683 23.21468 57.95418 22.69505 -0.9173546     32.46516 
1 1 1 -5  2  46 f 48.44247 19.72274 41.76224       88.07091 -84.19298      126.7708 159.2664       122.4440 43.72722 20.35275 69.88998 24.34906 -26.16277      31.73502 
1 1 1 -5  2  47 o 43.91684 19.64152 -21.72269      103.7249 -46.60733      120.4792 49.55051       203.8965 45.10657 20.57166 64.78928 28.31618 -19.68272      34.99998 
1 1 1 -5  2  48 o 54.45864 21.45393 73.94357       100.7228 94.66270       141.2809 52.52813       143.6353 61.71116 25.03353 57.50200 24.42831 4.209167       34.97742 
1 1 1 -5  2  49 o 57.84052 22.00934 97.35839       103.2834 181.5040       145.7438 12.46735       146.3880 72.21822 26.40465 53.73152 23.72018 18.48671       35.49440 
1 1 1 -5  2  50 o 43.21841 19.55449 -27.77804      106.2217 156.6900       167.1833 -152.6556      137.5544 69.55033 27.56449 40.76402 19.60610 28.78631       33.82603 
1 1 1 -5  2  51 o 104.7057 20.35667 377.9722       120.5019 311.8921       175.2439 437.2400       165.9651 88.11810 29.14929 107.3087 26.52457 -19.19062      39.41109 
1 1 1 -5  3  1  o 785.8678 15.06943 18155.54       694.5394 17507.63       1167.407 18510.53       864.1036 769.4086 25.90804 792.9966 18.57993 -23.58795      31.88166 
1 1 1 -5  3  2  o 395.1335 7.571643 4581.277       175.4626 4454.667       244.0935 4716.649       252.3980 389.3646 10.69944 400.6549 10.75122 -11.29037      15.16795 
1 1 1 -5  3  3  o 373.5528 7.310991 4094.409       160.1691 3941.053       221.7011 4261.843       231.6532 366.2331 10.33223 380.8545 10.38088 -14.62140      14.64642 
1 1 1 -5  3  4  o 416.8773 7.817712 5099.823       191.1342 5178.174       272.4687 5023.912       268.1913 419.7673 11.07738 413.4636 11.07001 6.303680       15.66057 
1 1 1 -5  3  5  o 556.5743 9.697874 9094.624       316.5558 8992.893       444.7447 9199.083       450.6689 553.1236 13.71002 559.4261 13.73613 -6.302551      19.40737 
1 1 1 -5  3  6  o 337.8933 6.853021 3350.118       135.8039 3517.738       197.8279 3200.728       186.7609 345.9914 9.759010 330.0277 9.659454 15.96362       13.73111 
1 1 1 -5  3  7  o 696.3340 11.70022 14248.48       477.8177 14173.62       673.3566 14324.40       678.1413 693.7742 16.54918 697.4493 16.57895 -3.675110      23.42513 
1 1 1 -5  3  8  o 468.5797 8.453378 6446.658       232.3080 6613.886       334.7311 6291.268       322.6671 474.1588 12.04685 462.4594 11.90671 11.69937       16.93802 
1 1 1 -5  3  9  o 395.7085 7.492481 4597.108       173.8808 4531.464       244.2939 4664.512       247.5475 392.4965 10.62248 398.2225 10.60887 -5.726013      15.01283 
1 1 1 -5  3  10 o 350.1880 6.939042 3599.936       142.5119 3692.153       204.9092 3513.540       198.3362 354.3116 9.870721 345.6365 9.794221 8.675110       13.90532 
1 1 1 -5  3  11 o 207.2633 5.653601 1261.530       68.65817 1258.665       98.12082 1264.278       96.10520 206.8689 8.103195 207.3443 7.917772 -0.4754028     11.32929 
1 1 1 -5  3  12 o 252.9829 5.933216 1878.065       88.03023 2028.814       129.6272 1749.037       119.9252 262.7113 8.424197 243.9076 8.396199 18.80371       11.89383 
1 1 1 -5  3  13 o 730.7322 12.21190 15697.10       523.3498 15637.87       737.7829 15757.08       742.4965 728.4465 17.26953 731.2083 17.31421 -2.761841      24.45442 
1 1 1 -5  3  14 o 360.5417 7.074752 3814.384       149.5951 3738.844       209.7004 3892.664       213.4687 356.6917 10.03431 363.9626 10.01012 -7.270935      14.17357 
1 1 1 -5  3  15 o 321.8707 6.023214 3039.204       113.6999 3042.594       256.7076 3038.376       126.8176 321.4928 13.64602 321.8109 6.719364 -0.3180847     15.21064 
1 1 1 -5  3  16 o 507.3329 8.196811 7552.651       243.8869 7332.504       526.7256 7612.729       275.1601 498.9164 18.03105 509.3015 9.212128 -10.38507      20.24801 
1 1 1 -5  3  17 o 416.6321 7.043801 5092.607       172.1117 5085.518       384.9884 5094.378       192.4098 415.6288 15.82287 416.6789 7.873635 -1.050049      17.67364 
1 1 1 -5  3  18 o 162.0079 6.126740 771.0484       58.10760 846.6693       132.4479 753.0239       64.66290 169.2313 13.45556 160.0604 6.904677 9.170853       15.12371 
1 1 1 -5  3  19 o 640.1952 10.06703 12031.71       377.9761 11990.73       822.5573 12042.69       425.5669 637.3896 22.03761 640.3922 11.33108 -3.002563      24.78002 
1 1 1 -5  3  20 o 325.4748 6.895198 3108.117       131.6178 3133.967       283.7980 3101.033       148.5605 326.1570 14.87569 325.0785 7.792278 1.078461       16.79303 
1 1 1 -5  3  21 o 586.3488 9.378126 10093.05       322.4947 10011.18       700.4008 10115.08       363.2968 582.3644 20.53912 586.9000 10.55473 -4.535583      23.09237 
1 1 1 -5  3  22 o 879.2943 14.75992 22741.96       761.1473 21905.30       1452.653 23058.59       893.6419 858.7690 28.88374 884.9025 17.21938 -26.13354      33.62704 
1 1 1 -5  3  23 o 86.65883 10.74605 224.0051       53.44559 263.5686       73.11913 178.6189       78.31506 93.67842 13.71510 76.32756 17.82027 17.35086       22.48701 
1 1 1 -5  3  24 o 393.3426 6.546731 4540.789       151.0240 4504.297       210.3121 4579.641       217.0055 391.5999 9.157380 394.8459 9.371143 -3.246063      13.10252 
1 1 1 -5  3  25 o 399.1333 7.347451 4677.354       171.9908 4523.793       212.3916 4969.861       293.1338 392.3849 9.229422 410.7967 12.18059 -18.41180      15.28231 
1 1 1 -5  3  26 o 380.1974 6.392212 4243.503       142.5315 4169.960       196.6774 4324.848       206.8468 376.6908 8.902644 383.5952 9.194439 -6.904358      12.79823 
1 1 1 -5  3  27 o 306.1335 5.825441 2751.164       104.5900 2663.301       144.5237 2847.780       151.5517 300.9339 8.196377 311.1767 8.311749 -10.24280      11.67329 
1 1 1 -5  3  28 o 91.41890 13.63508 252.0515       70.87235 0.000000       0.000000 252.0515       70.87235 ?        ?        91.41890 13.63508 0.000000       13.63508 
1 1 1 -5  3  29 o 334.0795 6.036926 3277.732       118.2813 3257.760       163.9196 3299.428       170.8454 332.7200 8.407160 334.7993 8.708373 -2.079315      12.10438 
1 1 1 -5  3  30 o 190.0578 6.193152 1062.239       68.93943 1050.729       94.11650 1075.564       101.2657 188.7850 8.522539 190.9405 9.068951 -2.155411      12.44506 
1 1 1 -5  3  31 o 210.9569 6.153407 1308.548       76.04935 1386.833       107.7759 1230.916       107.3256 216.9198 8.488111 204.2790 8.980315 12.64084       12.35695 
1 1 1 -5  3  32 o 280.8997 6.028141 2318.098       99.30825 2243.438       136.1619 2402.946       145.1552 275.9679 8.422776 285.5797 8.676786 -9.611786      12.09255 
1 1 1 -5  3  33 o 224.3084 6.603317 1479.952       86.77312 1475.653       120.1650 1484.636       125.4361 223.6622 9.180343 224.2875 9.557930 -0.6253052     13.25265 
1 1 1 -5  3  34 o 241.1549 7.101383 1711.169       100.3266 1897.613       142.1256 1525.991       141.6421 253.6207 9.572323 227.2233 10.65862 26.39735       14.32605 
1 1 1 -5  3  35 o 180.7458 7.861671 962.9661       83.13689 930.5660       117.3401 995.6251       117.8079 177.1716 11.35255 183.3423 11.00691 -6.170776      15.81241 
1 1 1 -5  3  36 o 130.7528 10.13066 507.4002       77.07977 422.7175       107.5870 596.7068       110.4852 118.1482 15.93252 141.2516 13.50116 -23.10342      20.88364 
1 1 1 -5  3  37 o 204.3706 7.743771 1231.599       92.64781 1340.626       131.6985 1124.778       130.3593 212.7370 10.58899 194.6376 11.47083 18.09944       15.61110 
1 1 1 -5  3  38 o 125.9531 11.48405 473.7927       83.89889 376.0090       111.6046 600.8661       127.2262 110.5746 17.81503 140.9792 15.65102 -30.40466      23.71349 
1 1 1 -5  3  39 o 164.0374 9.393920 797.6197       89.99545 782.6320       128.5905 812.0085       125.9948 161.5092 13.70495 164.6767 13.15508 -3.167526      18.99688 
1 1 1 -5  3  40 o 142.5655 11.28432 607.0899       93.58070 667.1208       132.0235 546.4741       132.6650 148.3716 15.39577 133.5350 17.34970 14.83667       23.19573 
1 1 1 -5  3  41 o 201.1174 12.26010 1211.078       143.9216 0.000000       0.000000 1211.078       143.9216 ?        ?        201.1174 12.26010 0.000000       12.26010 
1 1 1 -5  3  42 o 153.6648 10.07415 705.5976       90.28838 709.3248       123.9530 701.3848       131.7802 152.7676 13.99004 151.4977 15.02973 1.269836       20.53324 
1 1 1 -5  3  43 o 163.6828 9.662326 801.1977       92.34195 823.9996       130.3087 778.1970       130.8756 164.4504 13.63344 159.5637 14.13133 4.886734       19.63581 
1 1 1 -5  3  44 o 36.50670 16.55150 -35.89144      76.56966 -64.15172      110.5361 -9.820715      106.1677 42.28455 19.44099 46.30735 20.33030 -4.022804      28.12958 
1 1 1 -5  3  45 o 87.52892 16.83117 245.4053       83.26318 163.2209       122.1035 316.8356       113.8347 71.08633 24.33563 98.01668 20.46446 -26.93034      31.79650 
1 1 1 -5  3  46 o 48.92130 19.62714 47.91935       85.79668 -89.67712      126.5208 165.0609       116.7384 43.27707 20.20618 70.57158 23.79998 -27.29451      31.22064 
1 1 1 -5  3  47 o 48.37235 19.85183 40.26533       90.11047 34.80616       122.4808 46.70678       133.0445 53.09286 22.55660 55.91788 23.62170 -2.825024      32.66167 
1 1 1 -5  3  48 o 106.8411 17.82527 373.7583       107.7600 211.3695       146.1303 567.3251       159.5429 77.00090 26.61253 129.0103 21.86655 -52.00941      34.44376 
1 1 1 -5  3  49 o 47.68859 20.70353 13.55016       107.4681 1.264562       154.0611 25.19450       149.9865 53.86368 24.02427 55.30843 24.22649 -1.444748      34.11874 
1 1 1 -5  3  50 o 153.1460 13.62577 736.8101       121.1054 642.6360       175.2189 822.9465       167.5747 135.2551 22.90572 157.7198 18.46555 -22.46477      29.42191 
1 1 1 -5  3  51 o 50.10939 21.84909 20.03088       120.7843 202.0035       177.6790 -136.3070      164.6892 74.38435 28.72447 46.03670 21.95587 28.34766       36.15461 
1 1 1 -5  4  1  o 751.3441 17.69329 16613.97       779.6471 16658.78       1104.600 16569.49       1100.586 750.5652 25.12921 748.5549 25.10526 2.010315       35.52114 
1 1 1 -5  4  2  f 336.9661 7.914826 3332.067       156.4149 3367.079       264.8904 3313.323       193.8118 338.2372 13.37987 335.8050 9.851723 2.432220       16.61558 
1 1 1 -5  4  3  o 88.03528 7.129300 228.8941       36.49433 230.4757       50.43587 227.1560       52.87181 88.04480 9.941184 87.32500 10.53641 0.7198029      14.48596 
1 1 1 -5  4  4  o 585.1666 10.09956 10054.06       346.6033 9876.665       483.9164 10240.93       496.6748 579.6118 14.23582 590.1913 14.34924 -10.57953      20.21285 
1 1 1 -5  4  5  o 535.5800 9.403825 8421.482       295.3788 8342.448       414.8263 8502.768       420.6930 532.7447 13.27690 537.8334 13.33727 -5.088745      18.81911 
1 1 1 -5  4  6  o 352.7630 7.067826 3651.807       146.2242 3633.794       207.5390 3669.564       206.0536 351.6141 10.07467 353.3517 9.953032 -1.737579      14.16199 
1 1 1 -5  4  7  o 626.1522 10.68742 11518.77       392.4670 11543.40       556.2657 11494.36       553.8069 626.2217 15.14620 624.8954 15.11125 1.326294       21.39526 
1 1 1 -5  4  8  o 398.5888 7.569636 4663.905       176.9500 4881.821       258.1774 4470.854       243.0017 407.4181 10.81463 389.8989 10.63684 17.51926       15.16900 
1 1 1 -5  4  9  o 1012.831 16.52909 30259.77       981.8303 30865.09       1410.708 29691.10       1367.343 1019.797 23.58701 1000.356 23.30624 19.44110       33.15913 
1 1 1 -5  4  10 o 423.7787 7.865493 5273.714       195.4860 5290.640       277.7374 5257.096       275.1979 424.0050 11.17871 422.6667 11.11152 1.338257       15.76164 
1 1 1 -5  4  11 o 454.5977 8.269311 6069.113       220.4688 6149.363       315.1117 5992.160       308.5711 457.0936 11.76440 451.2226 11.67021 5.871063       16.57091 
1 1 1 -5  4  12 o 321.9129 6.631011 3041.317       125.1897 3024.263       177.4860 3058.203       176.6073 320.7324 9.445921 322.5373 9.346230 -1.804901      13.28824 
1 1 1 -5  4  13 o 451.2554 7.418316 5976.375       196.3262 6154.873       447.3145 5933.787       218.4957 456.8444 16.72352 449.5970 8.286457 7.247406       18.66391 
1 1 1 -5  4  14 o 990.2884 14.80345 28836.72       859.7557 28441.58       1852.708 28945.17       970.5901 977.8783 32.34967 991.7779 16.68672 -13.89960      36.39983 
1 1 1 -5  4  15 o 698.5586 10.61138 14326.82       434.7356 14451.99       970.0966 14295.37       486.3004 699.5346 23.68001 697.6843 11.88489 1.850281       26.49516 
1 1 1 -5  4  16 o 873.7109 13.09526 22423.18       671.0154 21997.74       1449.293 22539.26       757.0454 862.1254 28.70392 875.7703 14.73945 -13.64490      32.26711 
1 1 1 -5  4  17 o 404.3644 7.043353 4797.139       167.0332 4681.735       363.5456 4828.019       188.0580 398.7841 15.57423 405.6376 7.905023 -6.853577      17.46556 
1 1 1 -5  4  18 o 375.0129 6.794703 4125.942       149.4401 4073.062       329.3626 4139.651       167.6951 371.9405 15.13066 375.6122 7.612552 -3.671692      16.93776 
1 1 1 -5  4  19 o 1083.271 16.05736 34509.34       1020.145 34128.08       2216.465 34611.80       1149.089 1070.850 35.34085 1084.466 18.06705 -13.61609      39.69124 
1 1 1 -5  4  20 o 231.7528 6.741886 1577.150       91.53665 1457.242       196.6459 1610.319       103.4250 222.1030 15.18803 234.1389 7.541687 -12.03581      16.95740 
1 1 1 -5  4  21 o 782.4169 11.80746 17984.14       541.8078 17993.46       1201.102 17981.76       607.0830 779.3736 26.31521 782.1824 13.23395 -2.808838      29.45552 
1 1 1 -5  4  22 o 828.4666 12.46840 20172.29       605.8099 20018.44       1326.048 20212.87       681.0359 821.2455 27.57095 829.0536 14.00674 -7.808105      30.92484 
1 1 1 -5  4  23 o 507.2751 9.235935 7556.976       274.7736 7500.420       543.2126 7576.422       318.5290 503.9406 18.41071 507.7998 10.69562 -3.859253      21.29203 
1 1 1 -5  4  24 o 390.6346 6.461843 4478.491       148.0395 4443.447       204.7535 4516.877       214.2909 388.9493 8.976103 392.1249 9.318131 -3.175629      12.93824 
1 1 1 -5  4  25 f 77.97972 11.06489 182.3739       49.18422 160.3326       66.04269 209.8222       73.69951 72.32372 15.99508 82.99978 15.71567 -10.67606      22.42376 
1 1 1 -5  4  26 o 369.8016 6.342065 4014.667       137.5467 4019.234       191.0359 4009.752       198.2027 369.8177 8.807989 369.3493 9.150014 0.4683533      12.70053 
1 1 1 -5  4  27 o 279.9688 5.722410 2300.954       93.95917 2329.619       132.9371 2272.340       132.8197 281.4434 8.062176 277.9493 8.156734 3.494080       11.46870 
1 1 1 -5  4  28 o 190.4770 6.203959 1066.575       69.21212 980.8214       93.71950 1169.450       102.6505 182.4137 8.786195 199.2181 8.807578 -16.80437      12.44069 
1 1 1 -5  4  29 o 255.3608 5.740378 1914.825       85.96968 1991.206       120.0474 1834.416       123.1718 260.1273 7.878018 249.6020 8.426278 10.52536       11.53539 
1 1 1 -5  4  30 o 417.4384 6.658947 5120.492       163.0229 4793.979       212.7513 5584.863       253.7201 403.5644 8.988949 435.4001 9.936098 -31.83569      13.39878 
1 1 1 -5  4  31 o 350.7711 6.204752 3614.969       127.6435 3543.785       172.8411 3700.367       189.3114 347.0087 8.492901 354.3795 9.116297 -7.370789      12.45938 
1 1 1 -5  4  32 o 200.3715 6.408294 1180.997       75.20905 1133.579       103.0601 1235.017       110.0024 196.0046 8.989414 204.5758 9.191956 -8.571167      12.85697 
1 1 1 -5  4  33 o 222.6062 6.674745 1457.685       87.04256 1367.485       119.3619 1560.129       127.2057 215.2528 9.478341 229.9462 9.452722 -14.69337      13.38630 
1 1 1 -5  4  34 o 199.1213 9.150079 1170.056       106.5689 922.9321       186.4930 1289.878       129.8598 174.9811 18.45016 208.8649 10.63631 -33.88382      21.29647 
1 1 1 -5  4  35 o 237.7341 6.922684 1663.031       96.41702 1518.705       129.8049 1840.667       144.0068 226.7781 9.782780 249.6895 9.853393 -22.91141      13.88496 
1 1 1 -5  4  36 o 465.8255 7.629575 6385.786       208.4367 6269.156       288.8708 6512.460       301.0545 460.7635 10.68993 469.5445 10.93246 -8.781006      15.29030 
1 1 1 -5  4  37 o 152.7127 9.507521 690.8407       84.72925 791.4666       119.9772 590.7228       119.6739 162.8946 12.65788 140.1142 14.78626 22.78041       19.46421 
1 1 1 -5  4  38 o 228.8706 7.564898 1544.697       101.4020 1395.419       135.0491 1737.628       153.5300 216.9113 10.64850 242.0594 10.84237 -25.14810      15.19696 
1 1 1 -5  4  39 o 195.8992 8.461596 1134.464       96.98621 1079.565       134.7148 1193.536       139.7417 190.2793 12.13508 200.1549 11.95898 -9.875565      17.03753 
1 1 1 -5  4  40 o 153.6852 12.42022 707.6446       110.9939 653.2356       183.5993 738.9830       139.3396 144.2204 22.43597 156.1986 15.41119 -11.97823      27.21906 
1 1 1 -5  4  41 o 27.39361 13.59949 -198.0959      83.79753 -280.6305      119.0511 -117.0516      117.9715 32.51494 16.15345 40.72000 19.17045 -8.205059      25.06871 
1 1 1 -5  4  42 o 38.79016 17.35133 -28.31878      80.98000 76.77445       115.8820 -128.6228      113.2108 59.02174 23.08340 38.61929 18.35760 20.40244       29.49313 
1 1 1 -5  4  43 f 38.41655 17.21484 -27.98800      80.09476 -119.6485      119.6288 46.48361       107.8300 40.44959 19.12243 53.34715 21.78421 -12.89756      28.98654 
1 1 1 -5  4  44 o 128.6883 11.31995 501.6455       84.56483 606.0131       125.3562 414.4846       114.5575 139.6595 15.56914 114.2791 17.66138 25.38039       23.54406 
1 1 1 -5  4  45 o 113.7353 13.56853 399.7978       88.72331 424.2110       128.0298 377.2415       123.0648 114.0934 19.85450 107.2068 20.31659 6.886612       28.40713 
1 1 1 -5  4  46 o 78.90432 18.77454 205.9354       85.61430 207.3303       119.2569 204.4520       122.9829 77.63529 23.87495 77.10183 24.32952 0.5334625      34.08722 
1 1 1 -5  4  47 o 57.23200 20.94256 96.46609       91.71147 44.04332       126.6895 154.1849       132.9350 54.68729 23.07359 69.09933 25.22498 -14.41205      34.18611 
1 1 1 -5  4  48 o 138.6062 14.07568 602.3032       112.8351 524.2479       159.8034 679.9097       159.3434 122.9562 23.00624 143.3732 19.45152 -20.41698      30.12721 
1 1 1 -5  4  49 o 106.4577 18.38010 376.2745       110.6092 216.0532       159.9801 523.0052       153.0968 76.95525 27.73173 122.9892 22.03435 -46.03395      35.41979 
1 1 1 -5  4  50 o 42.65450 19.62554 -49.64990      112.9341 15.54551       171.4631 -99.60396      150.0885 56.83596 25.34772 45.92324 21.62100 10.91272       33.31628 
1 1 1 -5  4  51 o 44.32128 20.49462 -56.57491      125.3835 57.92392       176.1588 -174.1408      178.5025 60.35732 26.35067 46.28680 22.28077 14.07051       34.50783 
1 1 1 -5  5  1  o 510.8499 12.70263 7667.966       380.5727 7649.730       536.6370 7686.417       539.7990 509.4144 17.99041 510.6266 18.05352 -1.212189      25.48695 
1 1 1 -5  5  2  o 605.7935 12.00347 10781.09       426.4637 11201.84       755.1362 10584.05       516.7618 616.0062 20.93250 599.9601 14.68647 16.04602       25.57072 
1 1 1 -5  5  3  o 334.9224 9.890473 3296.415       194.0599 0.000000       0.000000 3296.415       194.0599 ?        ?        334.9224 9.890473 0.000000       9.890473 
1 1 1 -5  5  4  o 245.2790 6.108976 1765.082       87.87782 1776.574       124.4749 1753.663       124.0820 245.8612 8.646051 244.2668 8.675292 1.594360       12.24806 
1 1 1 -5  5  5  o 340.6098 6.953203 3404.451       138.8969 3502.013       199.4924 3312.659       193.5042 345.1900 9.864230 335.7223 9.838492 9.467682       13.93194 
1 1 1 -5  5  6  o 122.1800 6.224600 439.1575       44.45582 424.9867       61.86592 454.2870       63.92464 119.9842 8.854156 124.0741 8.842863 -4.089859      12.51369 
1 1 1 -5  5  7  o 298.4906 6.549770 2614.733       114.6587 2556.927       162.0324 2672.709       162.2718 294.9011 9.380536 301.5265 9.187005 -6.625458      13.12995 
1 1 1 -5  5  8  o 703.8163 11.83575 14569.09       488.5461 14632.90       693.6007 14506.26       688.2474 704.2961 16.79205 701.2560 16.73468 3.040039       23.70701 
1 1 1 -5  5  9  o 223.7727 5.909886 1470.551       77.49191 1446.003       111.0582 1493.843       108.1787 221.7141 8.557030 225.3857 8.197644 -3.671661      11.85007 
1 1 1 -5  5  10 o 363.4034 7.138824 3876.983       152.1479 4012.748       220.4175 3753.420       210.2797 369.3541 10.18515 357.2255 10.04699 12.12854       14.30662 
1 1 1 -5  5  11 o 201.7813 6.797212 1196.424       80.32334 1156.709       152.3836 1211.704       94.52081 197.8203 13.21031 202.9898 7.955076 -5.169479      15.42062 
1 1 1 -5  5  12 o 774.0125 11.69151 17609.78       530.7242 17726.18       1175.375 17579.97       594.8137 772.5253 25.97955 773.1182 13.11851 -0.5928955     29.10382 
1 1 1 -5  5  13 o 1010.683 15.04472 30050.32       891.7632 29015.90       1896.764 30343.86       1010.397 986.6668 32.82443 1015.162 16.97095 -28.49542      36.95208 
1 1 1 -5  5  14 o 308.7720 5.927439 2796.897       107.3385 2736.365       242.5431 2811.640       119.6984 304.8420 13.60061 309.5695 6.592945 -4.727570      15.11435 
1 1 1 -5  5  15 o 314.1992 5.978508 2895.954       110.1662 3033.986       261.7148 2866.229       121.4504 321.0363 13.93346 312.5694 6.625245 8.466888       15.42839 
1 1 1 -5  5  16 o 245.8731 5.639854 1773.289       81.32600 1557.789       178.2569 1829.934       91.39167 229.9039 13.27703 249.7605 6.239250 -19.85658      14.66996 
1 1 1 -5  5  17 o 171.8582 6.111585 867.5082       61.50108 721.7111       136.2511 904.8145       68.92178 155.9796 15.08230 175.4906 6.708920 -19.51106      16.50713 
1 1 1 -5  5  18 o 227.7766 6.246251 1523.160       83.36216 1519.755       189.9284 1523.973       92.77622 226.9560 14.34249 227.8057 6.952326 -0.8497009     15.93869 
1 1 1 -5  5  19 o 116.9778 9.376544 404.2314       63.78920 461.1578       154.1645 392.4717       70.06879 123.2186 22.14736 115.1428 10.49128 8.075790       24.50658 
1 1 1 -5  5  20 o 380.7761 7.183255 4254.358       160.4137 4468.157       364.0412 4202.842       178.6980 389.4178 15.97376 378.4330 8.051562 10.98474       17.88823 
1 1 1 -5  5  21 o 1082.195 16.17530 34463.11       1026.617 31578.77       2079.616 35392.50       1180.485 1028.991 34.50927 1096.136 18.36308 -67.14441      39.09082 
1 1 1 -5  5  22 o 194.8180 6.475214 1114.894       73.88051 1136.272       163.5855 1109.416       82.80672 196.0247 14.32826 194.2936 7.279898 1.731064       16.07159 
1 1 1 -5  5  23 o 490.7188 8.234449 7069.956       236.9833 6540.283       489.8528 7231.805       270.7802 470.5980 17.78062 496.2201 9.304480 -25.62213      20.06798 
1 1 1 -5  5  24 o 617.3449 9.981676 11199.28       361.3948 10659.70       435.2006 12397.91       648.6451 601.9575 12.32745 648.0091 17.08262 -46.05157      21.06613 
1 1 1 -5  5  25 o 667.3510 9.615080 13089.40       376.3204 12941.84       525.7097 13244.47       538.9313 662.8406 13.52341 670.5051 13.70506 -7.664490      19.25386 
1 1 1 -5  5  26 o 514.8417 7.751751 7786.222       234.0583 7671.855       325.0069 7909.444       337.3553 510.6189 10.85289 518.4252 11.09560 -7.806305      15.52087 
1 1 1 -5  5  27 o 299.7911 5.802898 2638.483       102.0268 2665.653       143.4519 2610.670       145.1383 301.0561 8.132165 297.9126 8.315100 3.143463       11.63069 
1 1 1 -5  5  28 o 419.8647 6.872834 5178.767       169.2372 5077.179       231.7607 5294.818       247.7096 415.3819 9.513533 424.1211 9.958694 -8.739227      13.77254 
1 1 1 -5  5  29 o 169.6647 9.436563 849.9241       93.52798 0.000000       0.000000 849.9241       93.52798 ?        ?        169.6647 9.436563 0.000000       9.436563 
1 1 1 -5  5  30 o 380.3250 6.443828 4250.006       143.7306 4233.831       199.6489 4267.409       207.0866 379.2481 8.976208 380.6997 9.275108 -1.451599      12.90736 
1 1 1 -5  5  31 o 228.9048 5.976936 1540.316       80.17008 1484.080       107.9194 1609.566       119.7577 224.4349 8.212807 233.6696 8.754255 -9.234695      12.00363 
1 1 1 -5  5  32 o 249.4374 6.131263 1828.019       89.69373 1782.115       120.7137 1884.599       134.0193 245.9391 8.381344 252.8214 9.053250 -6.882294      12.33727 
1 1 1 -5  5  33 o 130.2687 9.270477 502.2821       70.36317 533.0355       98.59186 470.3577       100.4513 133.6875 12.72816 125.2924 13.90420 8.395164       18.85028 
1 1 1 -5  5  34 o 223.2040 7.956894 1467.508       103.9922 1611.595       170.4033 1382.000       131.2713 233.1701 12.50682 216.2491 10.38090 16.92096       16.25373 
1 1 1 -5  5  35 o 94.82687 13.21393 271.1909       71.49429 376.5081       101.9105 169.1262       100.3245 111.4296 16.05723 74.23481 21.68899 37.19476       26.98605 
1 1 1 -5  5  36 o 76.11492 16.74299 179.3854       72.70490 225.1632       102.0384 132.1771       103.6204 84.85717 20.69234 67.55325 22.41694 17.30392       30.50725 
1 1 1 -5  5  37 o 349.3814 6.954973 3591.997       142.5101 3528.332       195.0506 3664.900       208.7229 345.5876 9.633021 352.0830 10.11871 -6.495392      13.97081 
1 1 1 -5  5  38 o 72.96716 18.36727 166.4929       78.53249 149.7333       109.8021 184.0443       112.3657 70.81165 23.05447 76.99236 23.07262 -6.180710      32.61678 
1 1 1 -5  5  39 o 244.8388 7.798544 1769.086       111.8382 1875.502       158.3276 1663.111       157.9990 251.3886 10.76384 236.5191 11.42415 14.86949       15.69622 
1 1 1 -5  5  40 o 237.6750 8.134020 1669.609       113.2137 1795.005       161.7629 1549.216       158.5034 245.5764 11.26158 227.9082 11.89968 17.66817       16.38370 
1 1 1 -5  5  41 o 292.2632 7.484152 2523.705       128.1769 2761.338       188.6432 2319.907       174.6979 304.5952 10.57614 279.1127 10.69206 25.48245       15.03911 
1 1 1 -5  5  42 o 149.8691 9.998400 671.5765       87.37801 619.3002       123.1491 724.5757       123.9976 142.1847 14.99370 154.3710 13.84291 -12.18625      20.40680 
1 1 1 -5  5  43 o 115.5313 12.46450 406.6484       83.11974 428.9301       123.6904 388.3011       112.2401 116.0764 18.81286 110.7414 17.89146 5.334930       25.96205 
1 1 1 -5  5  44 o 83.21757 17.97197 223.5362       85.14300 205.5512       122.3615 240.4181       118.5497 78.41370 24.19610 84.53259 23.20881 -6.118889      33.52760 
1 1 1 -5  5  45 o 57.38701 20.31377 97.48328       85.45443 197.7899       125.6569 11.17859       116.5571 76.60542 24.64021 50.19883 21.67736 26.40660       32.81841 
1 1 1 -5  5  46 o 114.5946 13.68728 408.4628       90.17140 466.5096       126.5947 348.6844       128.4691 119.8536 18.61363 101.2370 22.24611 18.61658       29.00615 
1 1 1 -5  5  47 o 172.2829 10.76622 901.8011       108.2380 972.4490       155.2022 834.9037       151.0264 175.9727 15.18688 162.3344 16.07406 13.63837       22.11372 
1 1 1 -5  5  48 o 38.66549 18.06104 -73.16431      101.2663 47.63214       146.7063 -183.1008      139.9563 57.28333 24.52187 39.98497 19.36489 17.29837       31.24614 
1 1 1 -5  5  49 o 166.9035 12.01098 859.6266       116.7832 845.1503       175.6987 871.0842       156.3092 159.6269 19.14955 164.5673 16.41405 -4.940414      25.22155 
1 1 1 -5  5  50 o 190.2235 11.38952 1113.199       126.4814 1116.178       185.3274 1110.602       173.0468 185.0080 17.28033 185.8294 16.03480 -0.8213806     23.57381 
1 1 1 -5  5  51 o 194.7754 12.88824 1184.609       146.3960 1181.676       193.6809 1188.518       223.5971 189.6633 17.61344 186.4047 20.80752 3.258575       27.26144 
1 1 1 -5  6  1  f 683.5043 16.25588 13749.45       651.6317 14103.28       938.8541 13420.55       905.1617 690.5587 23.21480 673.6846 22.94316 16.87402       32.63917 
1 1 1 -5  6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  6  3  o 141.9226 6.561237 592.2748       54.46421 528.8726       79.62533 648.0192       74.66206 133.8059 10.22414 148.3262 8.619993 -14.52026      13.37301 
1 1 1 -5  6  4  o 264.0871 6.332786 2046.378       98.08271 1997.639       137.3838 2097.046       140.0751 260.6856 8.999529 267.1037 8.954577 -6.418060      12.69551 
1 1 1 -5  6  5  o 540.0827 9.501491 8566.477       300.9557 8444.581       421.9723 8692.675       429.3550 535.6516 13.44294 543.6294 13.46676 -7.977844      19.02804 
1 1 1 -5  6  6  f 317.9818 6.796862 2967.568       126.7539 2999.497       180.9727 2936.822       177.5893 319.4009 9.672241 316.0502 9.592089 3.350677       13.62206 
1 1 1 -5  6  7  o 382.7478 7.449323 4300.870       167.2168 4354.568       238.4278 4248.891       234.5797 384.7560 10.57629 380.0598 10.53433 4.696228       14.92749 
1 1 1 -5  6  8  o 330.8743 6.876499 3213.702       133.4384 3371.249       195.1896 3075.467       182.8364 338.5581 9.840882 323.3712 9.651551 15.18695       13.78388 
1 1 1 -5  6  9  o 388.7476 8.701313 4439.160       198.3823 4800.149       369.8449 4293.342       235.0591 403.1715 15.67138 382.0169 10.50161 21.15463       18.86467 
1 1 1 -5  6  10 o 337.3834 6.195646 3340.619       122.5916 3264.435       281.2799 3358.484       136.2089 332.5947 14.45477 338.2524 6.866161 -5.657776      16.00264 
1 1 1 -5  6  11 o 734.0831 11.15419 15839.08       480.2127 15870.14       1061.703 15831.08       538.4373 731.0276 24.79978 733.6757 12.51355 -2.648071      27.77801 
1 1 1 -5  6  12 o 752.5846 11.38215 16642.12       502.3776 17008.53       1129.910 16551.84       560.8642 757.3510 25.47503 750.3483 12.74513 7.002686       28.48536 
1 1 1 -5  6  13 o 387.2317 6.657320 4399.563       151.1892 4442.803       349.6371 4389.619       167.6762 388.3490 15.38171 386.7681 7.392140 1.580872       17.06578 
1 1 1 -5  6  14 f 1065.458 15.80635 33379.46       987.6852 32585.03       2119.937 33599.71       1116.236 1046.766 34.57956 1068.575 17.81150 -21.80896      38.89724 
1 1 1 -5  6  15 o 1186.023 17.43021 41373.52       1212.401 42083.42       2702.892 41194.71       1356.527 1188.449 38.83123 1182.996 19.55216 5.453369       43.47587 
1 1 1 -5  6  16 o 437.9642 7.393818 5627.738       189.9144 5195.487       405.2435 5749.389       214.9842 420.0355 16.48252 442.6419 8.281394 -22.60641      18.44600 
1 1 1 -5  6  17 o 411.6040 7.120098 4970.580       171.8763 5335.613       407.5506 4891.611       189.5580 425.6625 16.35590 408.2961 7.916195 17.36642       18.17090 
1 1 1 -5  6  18 o 836.3535 12.63213 20547.31       619.6081 19253.21       1295.890 20930.84       705.4732 806.5345 27.43641 843.9228 14.25369 -37.38824      30.91803 
1 1 1 -5  6  19 o 199.9597 7.145807 1174.670       83.66532 1100.474       194.7339 1191.466       92.65257 192.6051 17.42785 201.3470 7.861351 -8.741882      19.11886 
1 1 1 -5  6  20 o 211.0707 6.994606 1308.639       86.46521 1162.958       192.2409 1345.583       96.81018 198.1029 16.70187 213.9930 7.726530 -15.89011      18.40249 
1 1 1 -5  6  21 o 554.4296 8.990620 9024.005       292.3389 8592.405       618.7610 9148.029       331.6933 539.5300 19.58746 558.1423 10.13308 -18.61224      22.05330 
1 1 1 -5  6  22 o 945.3359 14.08233 26288.53       780.7484 26523.63       1731.992 26228.58       874.6561 943.1834 31.35475 943.8716 15.80061 -0.6881714     35.11096 
1 1 1 -5  6  23 o 667.2130 10.36431 13080.76       405.5604 13269.49       899.6966 13032.63       454.3393 668.9747 22.96574 665.8083 11.63538 3.166382       25.74504 
1 1 1 -5  6  24 o 250.8822 6.138854 1847.234       90.32491 1748.686       199.0581 1872.786       101.3607 243.2748 14.01114 252.4930 6.851277 -9.218170      15.59653 
1 1 1 -5  6  25 o 268.0052 5.753650 2108.038       90.43514 2128.379       124.2396 2085.113       131.8924 269.0797 7.881282 266.2786 8.456372 2.801086       11.55962 
1 1 1 -5  6  26 o 45.79671 15.36059 58.08306       48.63024 39.96667       69.94442 75.03517       67.65958 46.32871 17.98631 52.71298 18.11297 -6.384274      25.52620 
1 1 1 -5  6  27 o 528.3127 8.002890 8203.133       247.9639 8002.278       340.4210 8430.148       361.9128 521.2569 11.13561 534.9259 11.53612 -13.66901      16.03383 
1 1 1 -5  6  28 o 114.3126 8.160167 386.1317       54.34732 414.6267       74.51218 353.7415       79.44189 118.1423 10.87601 108.7650 12.69231 9.377228       16.71474 
1 1 1 -5  6  29 o 389.4601 6.558556 4456.246       149.8034 4480.980       208.7339 4429.975       215.1183 390.1946 9.121395 387.9146 9.455634 2.279968       13.13807 
1 1 1 -5  6  30 o 226.0899 5.952412 1502.545       78.85818 1509.297       108.2759 1494.917       115.0794 226.3582 8.169547 225.2038 8.729608 1.154327       11.95607 
1 1 1 -5  6  31 f 300.2239 6.005384 2647.940       105.7394 2575.924       144.2808 2731.501       155.4153 295.7473 8.326638 304.4930 8.711894 -8.745667      12.05114 
1 1 1 -5  6  32 o 409.4807 6.814215 4928.533       163.6439 4762.314       221.5558 5128.071       242.7481 402.0875 9.395331 417.1343 9.922692 -15.04681      13.66500 
1 1 1 -5  6  33 o 98.94480 12.26360 293.5809       69.64196 274.0484       95.45328 315.8116       101.8332 94.41997 17.89232 101.5648 17.74137 -7.144798      25.19705 
1 1 1 -5  6  34 o 549.9228 8.395003 8900.417       270.7529 8837.940       376.8783 8967.055       389.2249 547.0347 11.74724 550.9149 12.04663 -3.880188      16.82614 
1 1 1 -5  6  35 o 260.9448 6.806803 2003.301       104.0810 1911.942       139.2294 2119.027       156.7001 254.5490 9.342137 267.8800 9.991718 -13.33102      13.67881 
1 1 1 -5  6  36 o 53.36029 18.84055 75.28476       73.47131 23.54053       102.8067 129.2990       105.0375 50.85176 21.06976 67.16446 22.57541 -16.31270      30.88015 
1 1 1 -5  6  37 f 289.4191 10.33508 2478.797       175.1434 0.000000       0.000000 2478.797       175.1434 ?        ?        289.4191 10.33508 0.000000       10.33508 
1 1 1 -5  6  38 o 201.8142 8.060809 1202.603       95.21522 1256.521       134.2065 1147.959       135.1073 205.6541 11.16911 196.3963 11.78412 9.257797       16.23621 
1 1 1 -5  6  39 o 89.26501 16.30388 246.2084       82.20960 334.2443       120.7232 170.0814       112.2614 103.1219 20.68164 74.34041 23.21483 28.78146       31.09114 
1 1 1 -5  6  40 o 225.7383 8.114704 1506.524       107.2559 1498.902       151.4085 1514.201       151.9586 224.2343 11.55219 225.3842 11.53448 -1.149948      16.32475 
1 1 1 -5  6  41 o 76.63580 18.96693 186.9359       84.78236 191.3370       125.8355 183.2771       114.7329 77.75488 24.61960 76.01722 23.42497 1.737663       33.98315 
1 1 1 -5  6  42 o 120.6257 12.48273 441.5224       87.03339 435.1469       126.0400 447.3329       120.3263 117.2703 18.97375 119.4762 17.70752 -2.205811      25.95303 
1 1 1 -5  6  43 o 92.29093 15.61923 267.1880       81.52869 225.6818       116.9702 306.4042       113.6974 82.35493 23.22115 96.91699 20.63640 -14.56207      31.06578 
1 1 1 -5  6  44 o 61.92223 19.87546 121.0908       81.78840 163.8570       115.6907 78.36052       115.6419 71.23683 23.68807 58.33370 22.98568 12.90313       33.00706 
1 1 1 -5  6  45 o 59.44360 20.42314 108.6144       86.01827 135.5440       117.1878 77.15549       126.6600 66.28618 23.75361 59.20199 23.81424 7.084187       33.63558 
1 1 1 -5  6  46 o 66.82162 21.07387 147.7611       92.28317 209.1097       131.5033 88.23520       129.5352 77.70219 25.22512 60.42930 24.15990 17.27289       34.92861 
1 1 1 -5  6  47 o 61.74801 21.57469 121.0828       96.16982 133.5418       139.1596 109.6928       133.0550 66.58617 25.49608 63.04642 24.71195 3.539742       35.50677 
1 1 1 -5  6  48 o 38.29357 17.93459 -76.85809      100.9522 -69.26665      152.1659 -82.82632      134.9205 48.67548 22.53246 44.78366 20.89524 3.891811       30.72984 
1 1 1 -5  6  49 o 127.5434 15.77135 522.2206       115.4607 486.1341       176.3484 549.2966       152.7537 114.1700 26.79947 126.6022 21.33050 -12.43229      34.25204 
1 1 1 -5  6  50 o 72.52782 23.28968 188.4269       112.2925 91.61234       168.6044 265.6053       150.5380 62.79390 26.56225 83.29646 26.98503 -20.50256      37.86482 
1 1 1 -5  6  51 o 74.25233 24.26123 201.7005       121.5435 387.5556       192.1214 77.67719       156.9424 96.77562 30.39132 60.13377 25.54014 36.64185       39.69800 
1 1 1 -5  7  1  o 721.1895 17.05469 15322.45       721.3461 15655.33       1036.841 15010.19       1004.216 726.8439 24.35760 711.7745 24.09131 15.06940       34.25907 
1 1 1 -5  7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  3  o 759.4423 14.62673 16974.16       651.4672 17047.99       1127.598 16937.16       798.1559 757.9149 25.40373 757.9177 17.95623 -0.2868652E-02 31.10909 
1 1 1 -5  7  4  f 358.1157 15.21281 3783.182       318.7813 0.000000       0.000000 3783.182       318.7813 ?        ?        358.1157 15.21281 0.000000       15.21281 
1 1 1 -5  7  5  o 275.7352 6.484685 2231.346       104.8653 2178.396       146.9225 2286.333       149.7209 272.1730 9.217639 278.8461 9.167649 -6.673096      13.00041 
1 1 1 -5  7  6  o 234.1550 6.234532 1610.261       85.54039 1544.847       120.6005 1676.488       121.3478 229.1524 8.991203 238.7559 8.680619 -9.603531      12.49780 
1 1 1 -5  7  7  f 506.8475 8.282074 7544.737       246.1880 7135.883       525.4868 7659.710       278.6615 491.1307 18.27563 510.5916 9.305780 -19.46097      20.50844 
1 1 1 -5  7  8  o 293.7673 5.922483 2532.637       102.0370 2389.737       236.5191 2565.315       113.1036 284.4702 14.22193 295.6313 6.523421 -11.16107      15.64667 
1 1 1 -5  7  9  o 332.2106 6.200223 3239.006       120.8012 3098.210       275.2687 3272.589       134.4385 323.9801 14.52424 333.8967 6.865323 -9.916595      16.06507 
1 1 1 -5  7  10 o 470.7884 7.735949 6506.936       213.5944 6099.530       461.9173 6617.740       240.8958 454.4224 17.36416 474.7108 8.652661 -20.28836      19.40058 
1 1 1 -5  7  11 o 461.6337 7.630913 6255.075       206.5972 6174.739       459.8205 6275.395       231.2532 457.4515 17.16976 462.3276 8.528790 -4.876129      19.17136 
1 1 1 -5  7  12 o 596.4119 9.376580 10443.28       327.9754 10384.92       721.4936 10458.49       368.2193 592.9894 20.77814 596.7526 10.52111 -3.763184      23.29002 
1 1 1 -5  7  13 o 584.6834 9.145663 10034.23       313.6075 9927.602       694.6696 10061.52       351.4609 580.0882 20.45096 585.4062 10.23692 -5.317993      22.86998 
1 1 1 -5  7  14 o 363.5441 6.583390 3877.300       140.3645 3993.545       325.4091 3850.728       155.5827 368.2950 15.09750 362.2769 7.322680 6.018127       16.77963 
1 1 1 -5  7  15 o 337.6054 6.354748 3343.592       125.8225 3163.782       279.4093 3389.329       140.9193 327.8013 14.57023 339.8904 7.069373 -12.08917      16.19468 
1 1 1 -5  7  16 o 402.7782 7.035179 4759.588       166.1849 4992.600       386.7444 4706.821       184.0424 411.7778 16.04510 400.5152 7.835169 11.26260       17.85596 
1 1 1 -5  7  17 o 124.0074 8.257567 453.2582       59.71300 408.7650       158.2841 460.6411       64.47718 115.5871 24.13002 124.9703 8.854626 -9.383217      25.70335 
1 1 1 -5  7  18 o 428.8154 7.709675 5395.723       193.8907 5124.937       421.7187 5468.305       218.3352 417.0061 17.28113 431.6540 8.624570 -14.64783      19.31374 
1 1 1 -5  7  19 o 384.8907 7.265633 4346.806       164.0066 4428.005       376.9429 4327.845       182.1519 387.5977 16.62089 384.0213 8.087754 3.576477       18.48420 
1 1 1 -5  7  20 o 360.4171 7.086926 3811.683       149.8007 3611.667       324.3007 3865.936       168.8995 350.0197 15.83914 362.9427 7.934868 -12.92310      17.71555 
1 1 1 -5  7  21 o 549.9219 8.951318 8878.221       288.6945 8574.563       616.6099 8963.473       326.7163 538.9134 19.54162 552.4698 10.08351 -13.55640      21.98982 
1 1 1 -5  7  22 o 653.6281 10.27247 12550.49       393.7823 11396.00       800.1957 12919.42       452.3456 620.4629 22.02517 662.9975 11.63343 -42.53461      24.90873 
1 1 1 -5  7  23 o 424.7324 11.43384 5307.567       284.5528 5339.979       409.7620 5277.378       395.4560 425.2739 16.46012 422.8543 15.97491 2.419647       22.93760 
1 1 1 -5  7  24 o 443.9916 7.676121 5788.468       199.8790 5535.766       425.7191 5859.925       226.3820 432.7526 16.80581 446.6420 8.642350 -13.88940      18.89776 
1 1 1 -5  7  25 o 385.5239 7.082494 4364.307       160.1356 4111.293       336.4671 4438.400       182.0795 372.9211 15.41746 388.7107 7.987008 -15.78961      17.36348 
1 1 1 -5  7  26 o 303.4196 9.781647 2710.649       173.8354 2634.560       253.5719 2778.118       238.7757 298.3926 14.53352 306.6516 13.30852 -8.258942      19.70634 
1 1 1 -5  7  27 o 249.8980 5.799767 1833.490       85.00096 1839.181       116.4110 1826.990       124.4058 250.0257 7.948978 249.1328 8.527073 0.8928986      11.65750 
1 1 1 -5  7  28 o 215.3211 5.991723 1362.584       75.59036 1333.090       103.0983 1396.870       111.1579 212.7592 8.278320 217.7464 8.722054 -4.987198      12.02517 
1 1 1 -5  7  29 o 150.3987 6.759935 666.0115       59.47379 663.0865       80.49787 669.5272       88.25340 149.8065 9.206750 150.4254 10.06153 -0.6189575     13.63813 
1 1 1 -5  7  30 o 31.12782 14.51410 -60.69688      64.92493 -25.17982      121.8942 -74.76376      76.71204 49.79873 21.82589 33.53165 15.68148 16.26707       26.87524 
1 1 1 -5  7  31 o 235.0911 6.222973 1625.001       85.72403 1561.250       116.4330 1700.465       126.6782 230.1426 8.641727 240.1449 9.010500 -10.00232      12.48473 
1 1 1 -5  7  32 o 119.4720 9.361214 422.9698       65.06828 362.7109       86.75592 500.4527       98.37659 109.8545 13.76727 129.4214 13.14298 -19.56689      19.03354 
1 1 1 -5  7  33 o 344.7225 6.635535 3492.420       134.1517 3378.647       180.4652 3632.940       200.5602 338.6098 9.095716 351.0036 9.752225 -12.39374      13.33559 
1 1 1 -5  7  34 o 151.8394 8.947227 681.2332       79.32208 679.9338       107.9780 682.7566       116.9105 151.1887 12.28343 151.3186 13.30925 -0.1299591     18.11129 
1 1 1 -5  7  35 o 317.2653 6.681745 2959.344       124.3263 2902.375       168.1813 3027.990       184.6131 313.7087 9.150925 320.2897 9.839760 -6.580963      13.43727 
1 1 1 -5  7  36 f 210.1729 9.318786 1305.197       114.5791 1129.328       203.2020 1387.180       138.7383 193.3815 18.12824 216.3753 10.96875 -22.99380      21.18836 
1 1 1 -5  7  37 o 144.9728 10.13379 624.0635       85.61814 660.9230       122.2990 588.6352       119.9013 148.3433 14.23175 139.7688 14.85451 8.574539       20.57180 
1 1 1 -5  7  38 o 178.1787 8.423721 938.5623       87.77664 914.1354       120.8973 965.7928       127.6473 175.1475 11.83919 179.9707 12.16519 -4.823242      16.97522 
1 1 1 -5  7  39 o 34.34581 15.96239 -66.14897      77.52513 -73.39709      113.3634 -59.78127      106.2556 43.10630 19.77052 42.55639 19.37402 0.5499077      27.68079 
1 1 1 -5  7  40 o 38.88855 17.42748 -32.50668      82.10024 39.71011       118.3234 -99.55564      114.0112 55.29475 22.72652 41.10820 19.18948 14.18655       29.74443 
1 1 1 -5  7  41 o 194.2329 8.613899 1119.430       97.87945 1041.417       137.2588 1200.146       139.6162 186.0604 12.65399 200.0580 11.95404 -13.99753      17.40754 
1 1 1 -5  7  42 o 58.95505 19.54810 105.1338       78.79961 39.59078       114.2237 164.6542       108.8494 53.77588 22.23839 71.87084 22.91441 -18.09497      31.93143 
1 1 1 -5  7  43 o 106.0249 13.73481 346.4086       83.39958 367.9867       117.6968 324.6477       118.1944 106.8952 19.49192 99.62736 20.89690 7.267853       28.57648 
1 1 1 -5  7  44 o 130.3107 12.24933 517.6543       92.51665 614.4476       129.1516 415.6341       132.5929 140.2892 15.98197 112.6707 20.83308 27.61849       26.25720 
1 1 1 -5  7  45 o 85.48981 18.21017 238.4620       88.50358 156.0249       125.5424 319.9099       124.7870 69.80173 24.62960 97.20541 22.35583 -27.40367      33.26259 
1 1 1 -5  7  46 o 129.3332 12.79447 515.9288       95.77690 602.0575       137.7499 435.3238       133.2597 136.9997 17.54666 114.3700 20.62584 22.62966       27.07970 
1 1 1 -5  7  47 o 40.11494 18.33142 -43.81787      96.28325 -104.3067      134.5233 19.71678       137.8685 43.53475 20.48801 53.74358 23.38973 -10.20884      31.09402 
1 1 1 -5  7  48 o 83.73197 21.81832 244.6651       108.2060 239.8455       161.5124 248.5898       145.7512 80.55013 27.97093 82.15466 26.54738 -1.604530      38.56341 
1 1 1 -5  7  49 o 117.2700 16.89497 448.0988       112.8489 495.7056       167.5660 408.5858       152.6586 116.7462 25.21197 105.8369 24.99593 10.90926       35.50267 
1 1 1 -5  7  50 o 61.39673 23.46364 117.2277       117.7073 223.5982       181.3504 39.79533       154.7280 77.04987 29.20028 56.61098 24.70584 20.43888       38.24964 
1 1 1 -5  7  51 o 49.10326 21.82269 1.763182       125.9552 175.9403       185.8252 -146.2723      171.3136 71.63322 28.83436 46.45858 22.22155 25.17464       36.40354 
1 1 1 -5  8  1  o 147.5168 6.918717 640.1049       59.69059 650.1312       83.65863 629.7074       85.19277 148.4540 9.661264 146.0612 10.00572 2.392746       13.90879 
1 1 1 -5  8  2  o 227.5584 7.700069 1521.968       102.6153 1486.115       142.9383 1560.096       147.4046 224.5988 10.88393 230.1274 10.95319 -5.528625      15.44125 
1 1 1 -5  8  3  o 548.7490 13.46587 8863.119       433.3697 8829.739       611.0384 8896.904       614.7330 546.3621 19.09879 548.4280 19.14180 -2.065857      27.04020 
1 1 1 -5  8  4  o 420.7378 9.118561 5200.134       225.0030 5526.547       396.7056 5045.331       273.1963 432.7161 15.65782 414.0836 11.26003 18.63245       19.28615 
1 1 1 -5  8  5  o 258.5895 6.150554 1962.478       93.27724 0.000000       0.000000 1962.478       93.27724 ?        ?        258.5895 6.150554 0.000000       6.150554 
1 1 1 -5  8  6  o 364.0369 6.635275 3890.005       141.6625 3499.199       307.7678 3995.062       159.5714 344.1851 15.28499 368.8759 7.376057 -24.69080      16.97166 
1 1 1 -5  8  7  o 64.91277 8.280579 125.7504       30.80729 110.0743       136.5012 126.5917       31.62321 68.79847 25.48487 65.10503 8.483705 3.693443       26.85985 
1 1 1 -5  8  8  o 389.5437 6.842515 4454.235       156.3229 4079.870       339.6737 4554.831       176.0774 371.7005 15.61662 393.8699 7.622552 -22.16943      17.37763 
1 1 1 -5  8  9  f 518.5282 8.372337 7895.083       254.6066 7556.239       550.0375 7987.485       287.2315 505.5960 18.58136 521.4620 9.392015 -15.86606      20.82011 
1 1 1 -5  8  10 o 523.6108 8.461148 8049.337       259.8294 7878.073       569.9619 8094.266       291.9282 516.4440 18.84956 524.9893 9.481458 -8.545349      21.09986 
1 1 1 -5  8  11 o 365.0103 6.541713 3909.260       140.0384 3911.259       327.5682 3908.813       154.9078 364.2834 15.36698 364.9646 7.237226 -0.6811829     16.98592 
1 1 1 -5  8  12 o 541.5686 8.642049 8608.318       274.4863 8545.350       612.8400 8624.121       307.0016 538.2553 19.44565 542.0048 9.657995 -3.749512      21.71199 
1 1 1 -5  8  13 o 874.3830 12.97357 22459.43       665.2913 22323.63       1475.093 22494.10       745.4113 868.1746 29.01165 874.8597 14.52804 -6.685120      32.44595 
1 1 1 -5  8  14 o 738.2707 11.21330 16002.78       485.5118 15653.30       1057.414 16096.14       546.5268 727.9798 24.80332 740.3005 12.58789 -12.32074      27.81474 
1 1 1 -5  8  15 o 439.3000 7.615650 5662.317       196.2089 5423.943       423.7933 5727.354       221.3629 429.1404 16.87140 441.7827 8.543694 -12.64227      18.91134 
1 1 1 -5  8  16 o 752.2299 11.53399 16615.73       508.8391 15646.65       1067.674 16900.54       578.8002 727.6829 25.05499 758.5071 13.01123 -30.82428      28.23198 
1 1 1 -5  8  17 o 239.8696 6.676580 1689.341       93.83333 1506.584       228.2704 1726.501       102.9317 225.6330 17.38424 242.4686 7.246542 -16.83559      18.83412 
1 1 1 -5  8  18 o 527.0682 8.818135 8153.493       272.5801 8001.140       602.3815 8192.721       305.6645 520.8138 19.75727 528.2750 9.865848 -7.461182      22.08358 
1 1 1 -5  8  19 o 335.8257 7.068823 3309.171       139.2232 2775.452       302.8524 3452.185       156.7703 306.6425 16.90565 342.9827 7.793655 -36.34012      18.61564 
1 1 1 -5  8  20 o 112.5955 9.694460 374.9830       63.39423 452.0732       166.1207 361.8427       68.58464 121.5850 24.14828 110.4807 10.71954 11.10428       26.42060 
1 1 1 -5  8  21 o 646.9845 10.08574 12293.93       382.6943 12233.69       845.0087 12309.47       429.2377 643.0241 22.44138 647.2629 11.30750 -4.238770      25.12917 
1 1 1 -5  8  22 o 399.0264 7.187273 4673.397       168.1962 4656.045       375.7250 4677.746       188.0959 397.2036 16.16272 399.1651 8.034821 -1.961548      18.04971 
1 1 1 -5  8  23 o 310.6084 6.577566 2831.686       119.8199 2751.219       268.0570 2851.778       133.9463 305.2105 15.02151 311.6740 7.327900 -6.463470      16.71358 
1 1 1 -5  8  24 o 164.6429 6.815869 797.1558       65.67114 621.8339       149.6151 838.9946       73.08818 143.9359 18.12473 168.8740 7.397564 -24.93810      19.57625 
1 1 1 -5  8  25 o 304.0645 6.350614 2714.294       113.2484 2441.596       239.8659 2792.517       128.4683 287.3623 14.27744 308.3699 7.103518 -21.00760      15.94695 
1 1 1 -5  8  26 f 199.8225 6.334888 1173.617       74.14550 1149.764       169.5260 1179.259       82.44968 196.7498 14.80018 200.2485 7.031429 -3.498703      16.38555 
1 1 1 -5  8  27 o 277.7066 5.839374 2264.403       95.10492 2289.143       131.0112 2236.842       138.2803 278.9461 8.016566 275.6750 8.563266 3.271027       11.73008 
1 1 1 -5  8  28 o 385.0532 6.568487 4355.622       148.3326 4223.776       200.7213 4514.261       220.1735 378.8745 9.033322 391.6015 9.586722 -12.72705      13.17217 
1 1 1 -5  8  29 o 222.9142 5.982152 1460.625       78.13633 1403.623       105.6778 1529.369       116.0523 218.2770 8.270115 227.8030 8.702481 -9.525986      12.00533 
1 1 1 -5  8  30 o 501.9406 8.520220 7414.782       250.8151 7684.909       407.8044 7250.431       318.0923 509.3787 13.66321 495.7654 10.94023 13.61334       17.50349 
1 1 1 -5  8  31 o 249.3962 6.194656 1827.494       90.60614 1756.185       122.9860 1912.139       133.9933 244.1092 8.604007 254.6736 8.985237 -10.56444      12.44040 
1 1 1 -5  8  32 o 32.96245 14.99904 -39.00259      63.58809 28.46072       91.43108 -102.2027      88.49506 49.18338 20.06872 34.71663 16.42257 14.46675       25.93172 
1 1 1 -5  8  33 o 162.3546 11.92457 782.6105       112.7503 782.6105       112.7503 0.000000       0.000000 162.3546 11.92457 ?        ?        0.000000       11.92457 
1 1 1 -5  8  34 o 268.9279 7.669252 2129.181       120.8358 2032.714       185.3775 2200.450       159.3384 261.9850 12.09774 273.0266 9.967690 -11.04163      15.67515 
1 1 1 -5  8  35 o 325.9966 6.897756 3125.270       131.8777 2972.620       179.9030 3302.575       193.8876 317.3525 9.677288 334.4684 9.895146 -17.11584      13.84066 
1 1 1 -5  8  36 o 160.8002 9.111383 764.9111       85.57376 743.0355       120.9152 786.8625       121.1243 157.7178 13.19299 162.4136 12.82012 -4.695816      18.39594 
1 1 1 -5  8  37 o 122.3352 11.36387 446.9620       80.59991 467.7651       112.8786 425.3225       115.1256 124.1434 15.86591 117.9502 17.14427 6.193176       23.35922 
1 1 1 -5  8  38 o 256.4056 7.110164 1937.682       106.8165 1812.152       144.9420 2086.901       158.0275 247.3340 10.01287 265.4083 10.17120 -18.07437      14.27273 
1 1 1 -5  8  39 o 77.25377 18.29923 187.5497       81.62548 260.5190       117.4157 119.3027       113.5529 90.40382 22.28900 65.84660 23.40585 24.55722       32.32079 
1 1 1 -5  8  40 o 46.97029 19.14791 29.71789       83.13969 34.85844       119.4583 24.88883       115.7824 54.86420 22.72034 53.01764 22.19404 1.846561       31.76144 
1 1 1 -5  8  41 o 141.7280 10.64964 601.6619       87.87251 560.1368       123.8792 643.7157       124.6655 134.9666 15.95860 145.2320 14.84496 -10.26543      21.79563 
1 1 1 -5  8  42 o 48.95004 19.17862 49.83582       80.11218 179.7862       115.3336 -71.31930      111.3622 74.59317 23.56372 42.13210 19.42249 32.46107       30.53657 
1 1 1 -5  8  43 o 139.0219 10.92728 583.2061       88.37780 625.8129       121.7584 535.7632       128.4827 142.4209 14.79244 130.5422 17.20006 11.87866       22.68608 
1 1 1 -5  8  44 o 160.6445 9.994698 775.7631       93.69779 904.3697       131.7205 644.0316       133.3112 171.9990 13.15790 143.5014 16.11852 28.49762       20.80714 
1 1 1 -5  8  45 o 46.25613 19.29067 27.12873       86.98105 98.10752       123.3800 -43.00458      122.6429 61.25326 23.85808 46.11052 20.92224 15.14275       31.73244 
1 1 1 -5  8  46 o 42.35887 18.64315 -8.113940      89.78879 -19.51107      126.0565 3.623614       127.9252 48.50754 21.67675 50.93739 22.34115 -2.429852      31.12890 
1 1 1 -5  8  47 o 41.72892 18.79542 -27.30693      96.85267 -75.54666      142.8914 13.69055       131.7292 46.87854 21.74721 52.13454 22.77320 -5.255997      31.48905 
1 1 1 -5  8  48 o 59.44332 22.18195 107.0157       103.7726 159.8240       151.7627 60.64284       142.2153 69.78883 26.64950 57.77835 24.41568 12.01048       36.14307 
1 1 1 -5  8  49 o 148.5457 14.11960 695.6579       121.5306 500.6066       190.1397 830.3811       158.0228 113.9771 28.51753 159.8728 17.11993 -45.89570      33.26171 
1 1 1 -5  8  50 o 66.11420 24.06183 148.9601       120.8260 328.1504       192.1107 31.69140       155.4123 89.33448 30.52645 55.96230 24.58237 33.37218       39.19384 
1 1 1 -5  8  51 o 122.5808 18.44074 504.0146       128.4688 480.9903       194.9085 521.7012       170.8284 108.7487 29.71940 118.4178 25.36178 -9.669037      39.06997 
1 1 1 -5  9  1  o 475.6331 17.06099 6684.555       475.1413 0.000000       0.000000 6684.555       475.1413 ?        ?        475.6331 17.06099 0.000000       17.06099 
1 1 1 -5  9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  9  3  o 694.9993 13.98299 14226.48       569.9476 0.000000       0.000000 14226.48       569.9476 ?        ?        694.9993 13.98299 0.000000       13.98299 
1 1 1 -5  9  4  o 248.6225 6.082273 1814.142       88.68639 0.000000       0.000000 1814.142       88.68639 ?        ?        248.6225 6.082273 0.000000       6.082273 
1 1 1 -5  9  5  o 354.4156 7.195593 3687.680       149.5650 0.000000       0.000000 3687.680       149.5650 ?        ?        354.4156 7.195593 0.000000       7.195593 
1 1 1 -5  9  6  o 99.26266 6.819210 290.5858       39.45698 0.000000       0.000000 290.5858       39.45698 ?        ?        99.26266 6.819210 0.000000       6.819210 
1 1 1 -5  9  7  o 218.0129 5.530238 1395.530       70.65222 1267.491       186.0052 1417.118       76.37647 206.8252 15.44609 219.6728 5.933771 -12.84753      16.54664 
1 1 1 -5  9  8  o 359.6779 6.611520 3796.710       139.4651 3322.470       305.0551 3922.025       156.8126 335.4828 15.54676 365.5317 7.314852 -30.04883      17.18164 
1 1 1 -5  9  9  o 965.0122 14.48784 27402.30       819.9490 26452.95       1739.920 27673.33       929.6516 941.5862 31.55242 969.3146 16.35328 -27.72839      35.53850 
1 1 1 -5  9  10 o 594.7388 9.320513 10385.03       325.0997 9845.897       699.8459 10533.38       367.1132 577.3359 20.70270 598.8767 10.45230 -21.54077      23.19164 
1 1 1 -5  9  11 o 288.3987 5.917718 2440.014       100.0917 2303.804       246.5374 2466.896       109.5242 279.5013 15.09604 289.9716 6.440270 -10.47028      16.41242 
1 1 1 -5  9  12 o 190.2170 5.854503 1062.404       65.23379 998.0172       185.1237 1071.533       69.70485 183.3681 17.42333 191.0167 6.230494 -7.648666      18.50383 
1 1 1 -5  9  13 o 664.8434 10.29945 12975.35       401.5910 12559.52       869.5209 13088.11       452.7743 652.3727 22.76143 667.6337 11.56360 -15.26105      25.53036 
1 1 1 -5  9  14 o 254.4987 5.918723 1899.951       88.34137 1966.422       230.7483 1888.535       95.62704 258.2078 15.30635 253.6435 6.433645 4.564255       16.60350 
1 1 1 -5  9  15 o 247.5355 6.226822 1798.630       90.32535 1549.088       223.5823 1847.301       98.74183 228.9048 16.77092 250.8437 6.717979 -21.93890      18.06640 
1 1 1 -5  9  16 o 465.8344 7.886625 6367.549       215.4633 6293.226       497.1543 6384.738       239.0836 462.0667 18.38246 466.4275 8.740074 -4.360809      20.35445 
1 1 1 -5  9  17 o 304.1541 7.085515 2714.271       126.3908 2540.701       305.2473 2750.186       138.8530 293.2920 17.83026 306.0453 7.742261 -12.75336      19.43864 
1 1 1 -5  9  18 o 358.6183 7.373617 3773.723       155.0828 3719.634       365.5995 3785.591       171.2535 355.0607 17.61206 359.1564 8.130277 -4.095673      19.39809 
1 1 1 -5  9  19 o 661.1445 10.40707 12835.99       403.5296 12145.94       856.8088 13032.68       457.4386 641.0010 22.82804 666.0651 11.71024 -25.06409      25.65637 
1 1 1 -5  9  20 o 551.3264 8.966090 8923.599       289.9095 9231.607       660.4069 8850.073       322.6616 559.0927 20.17389 548.9713 10.02183 10.12146       22.52605 
1 1 1 -5  9  21 f 281.6605 6.621727 2328.046       109.3825 2154.266       248.4794 2369.816       121.8209 270.0286 15.75875 284.0590 7.318541 -14.03036      17.37524 
1 1 1 -5  9  22 o 321.4032 8.203526 3035.114       154.5063 2987.695       285.1664 3054.819       183.8266 318.1003 15.33078 322.3166 9.735835 -4.216248      18.16092 
1 1 1 -5  9  23 o 796.5949 12.18003 18670.42       569.0318 18642.07       1242.008 18677.95       640.1725 790.4692 26.82989 796.4000 13.70614 -5.930786      30.12808 
1 1 1 -5  9  24 o 481.4102 8.127161 6807.799       229.4588 6357.312       483.9717 6938.425       260.6117 463.3391 17.84362 485.8944 9.145375 -22.55530      20.05075 
1 1 1 -5  9  25 o 200.2576 6.358829 1178.617       74.58746 1403.979       186.2605 1135.577       81.39893 217.6082 14.68061 196.5101 7.074446 21.09807       16.29626 
1 1 1 -5  9  26 o 184.3291 6.665460 999.2046       71.93810 842.1763       172.6957 1032.173       79.13040 167.6157 17.84161 187.3038 7.217051 -19.68805      19.24601 
1 1 1 -5  9  27 o 299.8583 6.487146 2641.033       114.0828 2455.419       253.0117 2688.401       127.8132 287.7033 15.04726 302.4768 7.204985 -14.77350      16.68328 
1 1 1 -5  9  28 o 589.5432 8.828276 10226.72       305.2404 10336.51       433.6512 10118.90       429.7258 591.6870 12.49678 585.4196 12.51623 6.267456       17.68687 
1 1 1 -5  9  29 o 244.5717 5.929150 1756.990       85.04507 1671.748       114.1712 1863.244       127.4682 238.2434 8.183337 251.4703 8.655906 -13.22682      11.91183 
1 1 1 -5  9  30 o 96.71387 10.51159 279.0159       58.66422 203.2209       82.15638 357.8652       83.79536 81.06908 17.77092 109.1858 13.36417 -28.11668      22.23526 
1 1 1 -5  9  31 o 163.8866 7.653262 791.6747       73.35664 863.2415       106.2637 726.5198       101.3917 170.7514 10.66458 156.5209 11.11772 14.23050       15.40574 
1 1 1 -5  9  32 o 575.2364 8.715219 9740.537       294.0189 9350.895       400.1370 10197.80       433.4716 562.6040 12.12705 587.3626 12.58357 -24.75861      17.47603 
1 1 1 -5  9  33 o 449.1433 10.84965 5951.357       285.7927 0.000000       0.000000 5951.357       285.7927 ?        ?        449.1433 10.84965 0.000000       10.84965 
1 1 1 -5  9  34 o 152.0497 9.110336 683.4598       80.86752 663.6647       110.5007 706.2874       118.6629 149.2425 12.74663 153.8926 13.27732 -4.650101      18.40554 
1 1 1 -5  9  35 o 81.83485 16.00014 206.1062       74.03837 232.4394       102.4451 177.3128       107.1237 86.23417 20.54939 75.92174 22.47389 10.31243       30.45247 
1 1 1 -5  9  36 o 340.4078 6.955302 3409.757       138.8564 3408.630       188.4555 3411.095       205.3796 339.7219 9.468003 339.6162 10.32340 0.1056824      14.00770 
1 1 1 -5  9  37 o 154.6617 9.392457 708.9413       84.79307 720.6233       115.8642 695.4696       124.4238 155.2301 12.84170 152.1730 14.10211 3.057114       19.07298 
1 1 1 -5  9  38 o 112.9677 12.49743 383.7669       81.41610 355.0274       111.2055 416.9665       119.5235 107.0785 18.36924 116.3250 18.10900 -9.246483      25.79467 
1 1 1 -5  9  39 o 316.4831 7.299232 2952.819       135.4809 2813.888       181.8639 3126.066       203.0859 308.0467 10.08010 324.4808 10.68644 -16.43408      14.69041 
1 1 1 -5  9  40 o 139.4819 11.22586 582.5989       91.05573 726.8860       131.1896 448.4774       126.4838 154.8539 14.61830 120.0049 18.57080 34.84897       23.63407 
1 1 1 -5  9  41 o 160.5712 9.881906 769.7863       92.60833 739.7811       130.3384 800.3782       131.6068 155.8401 14.42441 162.3314 13.95916 -6.491241      20.07291 
1 1 1 -5  9  42 o 165.8667 9.436694 821.9960       91.41848 717.6981       127.7604 931.4260       130.8660 153.0554 14.40230 175.2602 12.82059 -22.20483      19.28195 
1 1 1 -5  9  43 o 106.9478 15.14316 356.6097       92.32796 385.7273       124.1899 320.6300       138.0501 108.9802 20.17348 97.23059 24.28327 11.74962       31.56971 
1 1 1 -5  9  44 o 31.44392 15.14987 -116.0359      82.97683 -102.0750      117.0038 -130.1618      117.6931 40.70066 19.13964 39.02322 18.59695 1.677444       26.68656 
1 1 1 -5  9  45 o 67.01228 20.54837 148.4013       88.41889 143.7013       126.6238 152.8737       123.5204 67.74661 24.63586 68.93321 24.42057 -1.186600      34.68847 
1 1 1 -5  9  46 o 101.9538 16.76612 334.7505       96.76881 315.7090       130.8017 357.7731       143.8273 95.09058 23.57293 100.7143 24.57151 -5.623726      34.05058 
1 1 1 -5  9  47 o 115.1015 16.09526 424.7342       105.6837 489.8095       156.0065 369.5418       143.6727 118.6658 23.24834 101.8587 24.37635 16.80712       33.68518 
1 1 1 -5  9  48 o 71.01208 22.74092 176.0670       107.1160 25.40273       166.1531 283.2199       140.1217 57.41471 25.31162 87.54223 25.64775 -30.12752      36.03450 
1 1 1 -5  9  49 o 52.93143 21.97290 55.08009       112.1046 166.4268       180.1472 -15.28977      143.2129 71.24835 28.48943 50.70564 22.84554 20.54272       36.51803 
1 1 1 -5  9  50 o 38.34113 18.35562 -123.5678      117.4703 -217.9036      180.4146 -54.14088      154.7738 44.66868 21.71523 49.35210 22.80302 -4.683414      31.48855 
1 1 1 -5  9  51 o 34.35249 16.95824 -226.0833      123.7223 -160.1437      199.8024 -267.0909      157.5648 49.62542 23.80589 38.88814 19.18605 10.73729       30.57491 
1 1 1 -5  10 1  o 333.4939 7.701838 3265.675       150.6374 0.000000       0.000000 3265.675       150.6374 ?        ?        333.4939 7.701838 0.000000       7.701838 
1 1 1 -5  10 2  o 455.5365 9.552454 6097.468       255.2047 0.000000       0.000000 6097.468       255.2047 ?        ?        455.5365 9.552454 0.000000       9.552454 
1 1 1 -5  10 3  o 168.4239 7.423302 834.4407       73.14476 0.000000       0.000000 834.4407       73.14476 ?        ?        168.4239 7.423302 0.000000       7.423302 
1 1 1 -5  10 4  o 588.3989 11.82785 10183.22       408.1580 0.000000       0.000000 10183.22       408.1580 ?        ?        588.3989 11.82785 0.000000       11.82785 
1 1 1 -5  10 5  o 263.4126 6.286344 2036.331       97.11474 0.000000       0.000000 2036.331       97.11474 ?        ?        263.4126 6.286344 0.000000       6.286344 
1 1 1 -5  10 6  o 218.1082 6.063241 1397.037       77.48286 0.000000       0.000000 1397.037       77.48286 ?        ?        218.1082 6.063241 0.000000       6.063241 
1 1 1 -5  10 7  o 650.2571 11.34198 12427.27       432.5381 0.000000       0.000000 12427.27       432.5381 ?        ?        650.2571 11.34198 0.000000       11.34198 
1 1 1 -5  10 8  o 543.4415 8.794363 8670.617       280.2901 8252.802       601.6967 8786.410       316.7575 528.5984 19.44204 546.9723 9.874408 -18.37384      21.80589 
1 1 1 -5  10 9  o 193.4497 5.766686 1098.851       65.35213 1053.362       188.4127 1105.073       69.67785 188.3702 17.24600 193.9801 6.132437 -5.609879      18.30386 
1 1 1 -5  10 10 o 308.1649 6.215874 2786.044       112.3404 2373.826       264.8617 2876.470       124.0517 283.6405 15.98681 313.1128 6.755404 -29.47229      17.35551 
1 1 1 -5  10 11 o 176.6444 5.925446 916.3708       61.29940 619.6794       178.5115 956.0329       65.26823 143.3828 21.92385 180.4195 6.177446 -37.03668      22.77754 
1 1 1 -5  10 12 o 709.4155 10.84158 14775.20       451.0697 15119.02       1023.098 14692.25       502.5493 715.5001 24.41710 707.3177 12.11473 8.182373       27.25732 
1 1 1 -5  10 13 o 771.1240 11.68517 17460.46       528.4573 15846.07       1092.247 17953.87       603.8378 732.3256 25.46993 781.8011 13.16963 -49.47552      28.67327 
1 1 1 -5  10 14 o 428.0562 7.503379 5376.126       188.3684 4947.017       422.9806 5482.283       210.3820 409.7134 17.64448 432.2342 8.299253 -22.52075      19.49886 
1 1 1 -5  10 15 o 300.6171 6.733302 2651.281       118.7113 2481.399       303.1158 2682.058       129.0173 289.8575 17.91851 302.3448 7.276037 -12.48730      19.33944 
1 1 1 -5  10 16 o 609.0792 9.720928 10889.87       347.2418 10732.00       786.4600 10928.10       387.0072 602.9037 22.28054 610.0713 10.81653 -7.167542      24.76732 
1 1 1 -5  10 17 o 474.3502 8.261950 6603.394       229.8434 7068.389       568.2578 6512.443       251.3183 489.4366 19.83806 471.0320 9.097525 18.40460       21.82461 
1 1 1 -5  10 18 o 221.0433 9.127223 1436.717       118.0678 967.0348       267.3839 1550.477       131.5916 178.9709 26.25455 229.5964 9.795164 -50.62550      28.02225 
1 1 1 -5  10 19 f 702.6031 10.72013 14498.71       441.7340 14522.52       999.4280 14492.93       492.4453 700.4584 24.36579 702.3274 11.95550 -1.868958      27.14085 
1 1 1 -5  10 20 o 317.8672 6.687397 2964.939       124.6675 2947.078       303.0257 2968.578       136.7792 315.9336 16.41059 318.0396 7.333111 -2.106049      17.97449 
1 1 1 -5  10 21 o 226.7970 7.823963 1511.808       103.9116 1628.375       232.6962 1482.774       116.1339 234.4183 17.04212 224.5341 8.836391 9.884155       19.19676 
1 1 1 -5  10 22 o 576.4832 9.184664 9762.652       310.5278 9992.602       704.7493 9707.252       345.9176 580.7620 20.72444 574.7180 10.26283 6.044006       23.12635 
1 1 1 -5  10 23 o 176.6338 6.822086 917.2875       70.53819 829.0491       179.9005 933.3177       76.67825 166.4061 18.76029 178.1353 7.355409 -11.72925      20.15070 
1 1 1 -5  10 24 o 258.5054 6.269983 1961.754       95.05752 1776.077       218.2954 2005.201       105.5947 244.8276 15.27932 261.2309 6.898382 -16.40334      16.76441 
1 1 1 -5  10 25 o 270.1205 6.347878 2142.449       100.5626 2046.144       229.8691 2165.243       111.8321 262.7705 14.97808 271.4224 7.031305 -8.651917      16.54636 
1 1 1 -5  10 26 o 124.7478 8.088601 459.3562       58.85848 247.1994       160.7058 492.2234       63.25355 90.33019 27.70337 129.1198 8.398555 -38.78962      28.94845 
1 1 1 -5  10 27 o 394.9516 7.232328 4584.014       167.5223 4254.025       361.2683 4674.405       189.0794 378.4662 16.31449 398.7191 8.085867 -20.25299      18.20835 
1 1 1 -5  10 28 o 381.2919 6.581680 4271.705       147.1787 4232.510       201.9731 4316.083       214.9132 379.1974 9.081919 382.7227 9.582306 -3.525238      13.20234 
1 1 1 -5  10 29 o 496.8178 7.767279 7259.458       226.3167 7255.637       319.7729 7263.292       320.3481 495.9500 10.99394 496.2078 11.00799 -0.2577820     15.55772 
1 1 1 -5  10 30 o 384.4336 6.762068 4343.888       152.4584 4180.173       206.5241 4539.950       226.0084 376.7193 9.347649 392.3831 9.828920 -15.66382      13.56415 
1 1 1 -5  10 31 o 343.8027 9.708978 3485.533       195.5682 0.000000       0.000000 3485.533       195.5682 ?        ?        343.8027 9.708978 0.000000       9.708978 
1 1 1 -5  10 32 f 324.4470 8.023557 3096.865       152.6726 3110.490       183.6009 3066.330       274.8602 324.7833 9.649672 321.3117 14.62429 3.471619       17.52102 
1 1 1 -5  10 33 o 74.22382 18.27495 170.7893       79.01295 177.9496       114.3937 164.2566       109.2650 76.55807 23.35283 73.84388 22.87805 2.714188       32.69189 
1 1 1 -5  10 34 o 67.94196 17.60438 142.8845       70.71023 217.2265       97.38715 59.99454       102.8337 83.47481 20.12857 55.86975 21.77547 27.60506       29.65351 
1 1 1 -5  10 35 f 77.49287 16.48903 185.7425       72.63483 143.8544       99.52293 233.4836       106.2490 69.29404 21.88899 86.32544 21.15436 -17.03139      30.44068 
1 1 1 -5  10 36 o 188.3183 8.040785 1046.843       88.60140 1013.380       119.2212 1088.124       132.4178 184.7335 11.05474 191.2708 11.86287 -6.537338      16.21527 
1 1 1 -5  10 37 o 51.79431 19.08204 65.54893       76.34738 87.26363       105.2726 41.45532       110.8892 59.99993 22.35113 54.50191 22.15267 5.498020       31.46925 
1 1 1 -5  10 38 o 182.5534 8.851137 986.4269       94.48076 1035.986       128.2621 927.6332       139.7016 186.4324 11.79117 175.8806 13.65035 10.55177       18.03785 
1 1 1 -5  10 39 o 341.0045 7.324698 3429.124       146.4874 3508.888       204.4392 3344.960       210.0018 343.9181 10.14691 335.5708 10.68420 8.347321       14.73472 
1 1 1 -5  10 40 o 218.9353 8.149176 1419.368       104.4531 1340.730       145.1442 1503.845       150.4359 211.6680 11.73811 224.3080 11.47365 -12.64001      16.41426 
1 1 1 -5  10 41 o 65.35337 19.54882 135.1535       80.72030 248.2938       113.6374 19.92502       114.6813 87.08858 22.18910 51.67169 21.88435 35.41690       31.16538 
1 1 1 -5  10 42 o 41.55458 18.04114 -3.892938      81.61124 58.71854       114.9656 -67.49464      115.8712 56.00718 22.63184 43.33367 19.91649 12.67352       30.14741 
1 1 1 -5  10 43 o 254.5168 7.808941 1925.008       116.4247 1960.854       161.0413 1885.759       168.5113 255.3609 10.77730 249.9702 11.52553 5.390732       15.77935 
1 1 1 -5  10 44 o 176.6726 9.708698 937.6824       100.2093 886.9875       138.7425 992.9711       144.8922 169.6079 14.07467 179.6408 13.85984 -10.03293      19.75327 
1 1 1 -5  10 45 o 81.76546 19.82414 223.4552       94.06750 177.6967       133.4642 268.6252       132.6031 72.94677 25.42073 87.43342 24.74880 -14.48665      35.47840 
1 1 1 -5  10 46 f 68.41451 21.74416 157.4162       98.07828 120.8158       136.8072 196.1187       140.6812 64.83142 25.15889 75.30517 26.10735 -10.47375      36.25690 
1 1 1 -5  10 47 o 104.4081 18.38069 360.0205       108.4414 144.1593       154.9383 567.3009       151.8276 68.40655 26.70951 129.8613 20.62390 -61.45473      33.74527 
1 1 1 -5  10 48 o 53.60678 21.69450 65.69015       105.8187 155.5529       162.4931 -0.4824766     139.4389 69.58575 27.29905 51.55268 22.93321 18.03307       35.65348 
1 1 1 -5  10 49 o 136.5429 14.80993 594.1145       116.6999 727.4527       175.4700 488.3589       156.2706 145.6167 21.16597 116.8495 23.61672 28.76723       31.71353 
1 1 1 -5  10 50 o 57.06949 22.91094 86.21487       116.9866 169.3470       186.4936 32.27841       150.2176 71.17113 28.80132 55.28938 24.23091 15.88176       37.63845 
1 1 1 -5  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  11 2  o 460.0827 9.574783 6218.410       258.3541 0.000000       0.000000 6218.410       258.3541 ?        ?        460.0827 9.574783 0.000000       9.574783 
1 1 1 -5  11 3  o 181.8557 7.552320 972.5163       80.37326 0.000000       0.000000 972.5163       80.37326 ?        ?        181.8557 7.552320 0.000000       7.552320 
1 1 1 -5  11 4  o 533.6940 10.85960 8370.562       339.9045 0.000000       0.000000 8370.562       339.9045 ?        ?        533.6940 10.85960 0.000000       10.85960 
1 1 1 -5  11 5  o 242.5907 7.523059 1729.051       106.9040 0.000000       0.000000 1729.051       106.9040 ?        ?        242.5907 7.523059 0.000000       7.523059 
1 1 1 -5  11 6  o 328.6434 8.367721 3172.703       161.1496 0.000000       0.000000 3172.703       161.1496 ?        ?        328.6434 8.367721 0.000000       8.367721 
1 1 1 -5  11 7  o 504.8018 9.326531 7481.697       276.1160 0.000000       0.000000 7481.697       276.1160 ?        ?        504.8018 9.326531 0.000000       9.326531 
1 1 1 -5  11 8  o 617.4669 10.82934 11196.87       392.1626 0.000000       0.000000 11196.87       392.1626 ?        ?        617.4669 10.82934 0.000000       10.82934 
1 1 1 -5  11 9  o 298.0697 6.249321 2606.460       109.2449 2548.483       269.3462 2617.876       119.5169 293.9724 15.67933 298.7088 6.822299 -4.736389      17.09928 
1 1 1 -5  11 10 o 337.2804 6.567647 3337.338       129.9126 3015.296       311.4510 3405.173       142.9416 319.7694 16.66494 340.6765 7.154281 -20.90704      18.13571 
1 1 1 -5  11 11 f 387.8740 8.142323 4414.576       185.2207 3949.615       362.4459 4578.920       215.4824 366.0904 16.92706 394.9880 9.302022 -28.89767      19.31458 
1 1 1 -5  11 12 o 179.9075 7.407688 951.2374       77.99243 971.5815       213.6769 948.1105       83.77213 180.4974 20.55094 179.5791 7.974024 0.9182129      22.04373 
1 1 1 -5  11 13 o 810.0480 13.67701 19278.04       649.7593 19442.59       1300.491 19223.29       750.0906 810.7451 27.39028 808.6396 15.81642 2.105530       31.62889 
1 1 1 -5  11 14 o 870.3883 11.99635 22248.63       612.3681 22639.19       882.3292 21885.67       850.5815 877.3035 17.14866 862.6314 16.81281 14.67212       24.01556 
1 1 1 -5  11 15 o 554.0565 8.459585 9008.869       274.8867 9075.341       392.0623 8944.599       385.5173 555.8737 12.02620 551.8635 11.91137 4.010193       16.92661 
1 1 1 -5  11 16 f 225.8799 9.907481 1500.725       130.9283 1422.858       332.2467 1515.040       142.4558 217.8199 26.55668 226.8969 10.73580 -9.076965      28.64463 
1 1 1 -5  11 17 o 724.0422 12.65480 15403.25       537.3656 15182.57       1062.163 15479.17       622.9730 716.2647 25.32509 725.5803 14.63973 -9.315613      29.25205 
1 1 1 -5  11 18 o 594.9290 10.65462 10394.75       371.7521 10677.53       773.2670 10309.75       423.9609 601.0833 21.97231 592.3506 12.20384 8.732727       25.13396 
1 1 1 -5  11 19 o 452.9451 9.982405 6024.996       265.1742 5946.216       483.1636 6058.954       317.2189 448.8062 18.39527 453.9203 11.92629 -5.114136      21.92310 
1 1 1 -5  11 20 o 208.1629 6.930966 1273.116       84.49708 1389.948       247.7359 1257.735       89.88714 216.1033 19.76548 206.8708 7.420821 9.232544       21.11262 
1 1 1 -5  11 21 o 356.1591 7.079019 3723.435       147.8658 3600.659       346.7198 3750.730       163.4776 349.0011 16.99059 357.4239 7.798737 -8.422852      18.69493 
1 1 1 -5  11 22 o 354.9521 6.919321 3698.601       144.0402 3608.776       330.9185 3719.597       159.9917 349.3892 16.19362 355.9138 7.664821 -6.524628      17.91599 
1 1 1 -5  11 23 o 316.4609 6.648400 2940.153       123.3922 2820.930       281.1475 2968.597       137.3249 308.7825 15.57528 317.9457 7.364545 -9.163208      17.22863 
1 1 1 -5  11 24 o 335.8762 6.701797 3312.664       132.0143 3224.258       304.4532 3333.135       146.5035 329.9654 15.77836 336.8603 7.415621 -6.894958      17.43411 
1 1 1 -5  11 25 o 140.8294 7.520060 584.3843       61.88529 665.1982       173.4749 572.6000       66.24387 148.1814 20.51082 139.3398 8.141718 8.841568       22.06766 
1 1 1 -5  11 26 o 415.3401 7.408580 5069.458       180.4635 5032.601       407.4772 5078.451       201.2796 411.6348 16.91480 415.6002 8.257976 -3.965363      18.82298 
1 1 1 -5  11 27 o 586.4774 9.367218 10124.49       322.1902 9929.773       706.0143 10175.71       362.0929 576.1069 20.93063 587.6716 10.50594 -11.56470      23.41935 
1 1 1 -5  11 28 o 447.5027 7.940425 5890.068       208.3963 5342.580       431.8852 6056.229       237.9276 423.4305 17.42870 453.5875 8.944028 -30.15704      19.58967 
1 1 1 -5  11 29 o 327.8282 6.365988 3157.936       122.3947 3209.715       168.9993 3100.818       177.4978 330.0923 8.737376 324.3348 9.341175 5.757477       12.79059 
1 1 1 -5  11 30 o 216.4904 9.978145 1384.277       126.3483 0.000000       0.000000 1384.277       126.3483 ?        ?        216.4904 9.978145 0.000000       9.978145 
1 1 1 -5  11 31 o 290.9805 6.707820 2488.524       114.4711 2290.199       154.5436 2729.597       170.3867 278.6705 9.469802 304.2427 9.561028 -25.57227      13.45698 
1 1 1 -5  11 32 o 195.5864 8.121959 1127.439       92.96165 1190.199       134.4419 1069.942       128.6825 200.4713 11.48292 190.0195 11.60235 10.45184       16.32397 
1 1 1 -5  11 33 o 113.0760 11.58110 381.5124       75.71785 339.6518       104.5080 427.7654       109.8543 105.4175 17.51849 118.9014 16.17241 -13.48385      23.84207 
1 1 1 -5  11 34 o 294.5456 6.854061 2551.251       118.3998 2479.721       160.7278 2636.123       175.0760 289.8640 9.467364 298.7639 10.00602 -8.899841      13.77503 
1 1 1 -5  11 35 o 184.3826 8.101667 1003.277       87.39435 1008.964       116.3278 995.9077       132.4182 184.4539 10.80064 182.9242 12.41674 1.529663       16.45690 
1 1 1 -5  11 36 o 201.8354 7.873261 1202.125       93.01837 1130.583       122.1227 1300.986       143.5571 195.2018 10.70850 209.1959 11.74815 -13.99411      15.89626 
1 1 1 -5  11 37 o 115.3004 12.04821 398.7805       80.27011 370.3740       108.7307 432.8071       119.0014 109.7147 17.48441 118.7463 17.62129 -9.031662      24.82367 
1 1 1 -5  11 38 o 143.6668 10.65715 615.0062       89.15469 656.0253       120.6537 565.6711       132.3199 147.5503 14.11465 136.0914 16.94443 11.45891       22.05306 
1 1 1 -5  11 39 o 56.56293 20.15024 86.57381       84.20425 130.5055       119.5523 43.32550       118.6188 67.95074 24.02957 55.75313 22.81693 12.19761       33.13657 
1 1 1 -5  11 40 o 165.0993 9.514881 811.7977       91.73931 735.7813       127.4777 893.4578       132.1250 155.7061 14.11288 172.0419 13.19557 -16.33575      19.32088 
1 1 1 -5  11 41 o 38.07384 17.23811 -38.50313      82.70847 8.221608       115.1133 -88.36430      118.9141 50.35622 21.64193 42.55824 19.77583 7.797985       29.31649 
1 1 1 -5  11 42 o 57.13053 19.75272 96.50640       80.50790 125.0342       115.1494 69.22588       112.6040 65.25156 23.52572 56.91311 22.60079 8.338451       32.62292 
1 1 1 -5  11 43 f 73.72681 19.90769 178.6191       88.07899 170.2842       126.2282 186.5282       122.9610 72.61016 24.74599 75.10705 24.39278 -2.496887      34.74726 
1 1 1 -5  11 44 o 31.06452 15.13152 -145.9092      88.79173 73.82307       126.8131 -357.2347      124.3636 58.72216 23.75484 30.47776 15.33819 28.24440       28.27636 
1 1 1 -5  11 45 o 116.0462 14.44803 421.8183       96.20722 529.1602       131.9943 300.1603       140.5208 128.0017 18.08617 91.98502 25.27338 36.01665       31.07818 
1 1 1 -5  11 46 o 45.95771 19.76947 13.06975       96.22115 57.76595       139.3464 -27.66491      133.0279 57.72966 24.26888 48.82408 22.00619 8.905586       32.76050 
1 1 1 -5  11 47 o 130.7772 14.45157 539.3969       108.9935 613.8893       159.0305 473.4115       149.6747 134.9223 20.76236 116.7591 22.67541 18.16327       30.74492 
1 1 1 -5  11 48 o 49.73366 21.05060 34.73028       106.0009 45.49375       155.6740 25.42590       144.7384 57.70188 24.98485 54.51322 23.84044 3.188656       34.53418 
1 1 1 -5  11 49 o 51.28790 21.84445 38.28071       115.3691 -5.605305      168.1597 77.30647       158.5749 54.69855 24.68993 60.47494 25.67835 -5.776394      35.62262 
1 1 1 -5  11 50 o 57.77328 22.51561 96.96195       109.9361 76.32284       155.0983 117.8018       155.8506 59.79749 25.39318 64.04774 26.17587 -4.250259      36.46902 
1 1 1 -5  12 1  o 1091.853 18.56454 35153.47       1188.773 33825.67       1594.061 36817.19       1784.344 1068.433 25.43942 1113.794 27.31639 -45.36072      37.32759 
1 1 1 -5  12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  12 3  o 519.4337 10.66949 7925.743       325.0307 0.000000       0.000000 7925.743       325.0307 ?        ?        519.4337 10.66949 0.000000       10.66949 
1 1 1 -5  12 4  o 282.8940 7.055957 2348.462       117.0658 0.000000       0.000000 2348.462       117.0658 ?        ?        282.8940 7.055957 0.000000       7.055957 
1 1 1 -5  12 5  o 166.6743 6.702116 816.4398       65.37994 0.000000       0.000000 816.4398       65.37994 ?        ?        166.6743 6.702116 0.000000       6.702116 
1 1 1 -5  12 6  o 808.0715 16.11488 19210.67       763.7078 0.000000       0.000000 19210.67       763.7078 ?        ?        808.0715 16.11488 0.000000       16.11488 
1 1 1 -5  12 7  o 730.9645 14.60295 15707.04       626.0188 0.000000       0.000000 15707.04       626.0188 ?        ?        730.9645 14.60295 0.000000       14.60295 
1 1 1 -5  12 8  o 374.9837 6.795893 4125.358       149.4547 4394.713       244.2196 3964.086       188.9721 386.7365 10.77801 367.5202 8.767303 19.21625       13.89356 
1 1 1 -5  12 9  o 479.5859 7.974059 6748.951       224.2830 6892.083       359.3645 6657.626       287.0505 484.2401 12.66476 476.2275 10.27764 8.012573       16.31030 
1 1 1 -5  12 10 o 256.8188 5.622045 1934.686       84.67818 1979.917       121.0185 1891.298       118.5264 259.6410 7.956847 253.7574 7.974166 5.883606       11.26493 
1 1 1 -5  12 11 o 250.7412 5.726035 1844.223       84.20352 1922.742       122.3267 1773.516       116.0821 255.8505 8.162826 245.7161 8.066220 10.13434       11.47587 
1 1 1 -5  12 12 f 229.5823 7.300899 1547.999       98.17769 1602.476       111.8343 1364.913       205.0190 233.5461 8.177538 214.8331 16.39591 18.71297       18.32206 
1 1 1 -5  12 13 o 40.90536 16.85973 13.96091       65.35915 7.873427       72.09063 42.06671       154.9023 41.82771 17.51146 63.78758 26.08595 -21.95987      31.41860 
1 1 1 -5  12 14 o 689.2676 9.837784 13946.26       397.6818 13662.80       547.8291 14262.05       578.2142 681.8868 13.69879 696.6319 14.15256 -14.74506      19.69649 
1 1 1 -5  12 15 o 484.7947 7.834788 6896.734       222.7592 6786.822       314.0346 7008.050       316.0330 480.7426 11.13819 488.5218 11.03057 -7.779236      15.67586 
1 1 1 -5  12 16 o 184.8123 8.777920 1004.776       94.87020 1066.794       137.6320 948.6323       130.9507 190.1526 12.40926 179.2533 12.53534 10.89932       17.63872 
1 1 1 -5  12 17 o 355.3284 6.856961 3704.688       142.8934 3622.112       202.5709 3786.472       201.5962 351.0922 9.847694 358.9950 9.583674 -7.902802      13.74132 
1 1 1 -5  12 18 o 592.5267 8.686230 10306.47       301.8490 10416.78       433.9619 10203.09       420.1318 595.3492 12.42881 589.2393 12.15747 6.109863       17.38618 
1 1 1 -5  12 19 o 418.0690 6.920217 5129.339       169.6751 5035.736       236.2783 5229.007       243.8127 414.0763 9.729556 421.9391 9.852716 -7.862854      13.84703 
1 1 1 -5  12 20 f 277.5174 10.90987 2267.027       177.2203 2191.027       290.7017 2311.979       223.5692 271.8651 18.33971 279.9602 13.65770 -8.095154      22.86652 
1 1 1 -5  12 21 o 334.2504 6.193835 3278.914       121.4177 3322.711       173.3354 3236.720       170.1306 336.2171 8.798132 331.8394 8.749499 4.377716       12.40810 
1 1 1 -5  12 22 f 185.8277 8.285610 1016.359       90.07246 1102.342       224.1028 999.7930       98.36753 191.8763 20.21833 184.2304 9.132630 7.645874       22.18526 
1 1 1 -5  12 23 o 329.0297 6.709033 3178.760       129.4630 3036.454       302.1238 3210.768       143.2846 320.1844 16.14126 330.6360 7.389223 -10.45169      17.75221 
1 1 1 -5  12 24 o 497.6817 8.349132 7280.000       243.6933 6782.741       525.2781 7416.380       275.0889 477.7857 18.78246 502.1754 9.340436 -24.38968      20.97677 
1 1 1 -5  12 25 f 157.8374 8.477341 734.5947       78.18507 555.4641       187.2747 772.4073       86.04227 134.1141 24.72026 161.7932 9.104513 -27.67911      26.34356 
1 1 1 -5  12 26 f 275.1378 6.600370 2223.840       106.5047 2027.838       257.8147 2264.172       116.9504 260.8948 16.94130 277.4822 7.192542 -16.58740      18.40490 
1 1 1 -5  12 27 o 273.9220 6.669194 2204.762       107.1398 2093.411       260.3581 2227.462       117.5544 264.9517 16.84255 275.1780 7.290504 -10.22629      18.35274 
1 1 1 -5  12 28 o 459.6830 8.099799 6216.371       218.3651 5582.425       458.7588 6402.078       248.2973 432.4733 18.12753 466.3065 9.079252 -33.83319      20.27413 
1 1 1 -5  12 29 o 418.0231 8.841571 5144.632       216.7606 4688.507       413.0359 5318.004       254.6450 396.2737 17.81781 424.7236 10.22300 -28.44992      20.54225 
1 1 1 -5  12 30 o 157.2460 7.896471 729.2011       72.58906 747.7498       100.6672 709.1102       104.7684 158.8412 10.87178 154.5408 11.64511 4.300369       15.93123 
1 1 1 -5  12 31 o 356.4146 6.894477 3734.028       144.1144 3646.659       198.2575 3831.915       209.8536 351.6902 9.621151 360.4548 9.936414 -8.764557      13.83108 
1 1 1 -5  12 32 o 202.2340 10.17654 1208.762       120.3114 1379.808       265.0017 1164.353       135.0296 213.3794 21.46752 198.2290 11.66636 15.15039       24.43273 
1 1 1 -5  12 33 o 499.7635 7.944530 7350.021       232.8538 7183.912       317.3077 7543.863       342.7747 493.2942 10.96792 505.3110 11.56643 -12.01688      15.93981 
1 1 1 -5  12 34 o 164.4382 8.520805 798.6445       81.89359 851.9088       112.9913 739.7020       118.8616 169.3723 11.44217 157.4735 12.98545 11.89886       17.30737 
1 1 1 -5  12 35 o 121.9910 11.43268 444.2702       80.84190 504.1571       112.1068 379.3908       116.6861 129.2295 15.07453 110.9741 18.58521 18.25539       23.93014 
1 1 1 -5  12 36 o 320.9218 6.934376 3031.823       130.5140 2931.296       172.7503 3165.510       199.2151 314.9189 9.363801 326.9697 10.40201 -12.05081      13.99581 
1 1 1 -5  12 37 o 332.4962 7.062544 3256.117       137.7204 3275.490       187.2435 3233.285       203.2750 332.7304 9.605467 330.2902 10.50729 2.440216       14.23616 
1 1 1 -5  12 38 o 153.2471 10.34934 699.1218       92.47002 780.7358       128.5163 611.5143       133.1516 161.1019 13.73293 141.6680 16.32407 19.43390       21.33234 
1 1 1 -5  12 39 o 186.6491 9.102907 1033.960       99.34470 1064.192       138.7759 1002.183       142.2788 188.3325 12.63744 182.4860 13.38730 5.846497       18.40991 
1 1 1 -5  12 40 o 105.7256 13.68670 341.8918       82.87571 333.8790       121.7002 348.8208       113.1718 101.8093 21.07699 104.8920 19.10040 -3.082741      28.44407 
1 1 1 -5  12 41 o 101.7843 15.28363 322.2872       88.41882 355.6617       127.2878 291.1673       122.9131 104.3885 21.50732 93.82066 22.60674 10.56784       31.20304 
1 1 1 -5  12 42 o 66.92125 20.18658 144.5758       85.80614 127.3240       125.5260 159.7078       117.5616 66.36594 24.46478 70.78060 23.88375 -4.414665      34.19004 
1 1 1 -5  12 43 o 132.4299 12.16486 534.8942       93.42615 461.8600       129.2347 614.8467       135.2173 119.7163 19.04391 139.7172 16.84109 -20.00094      25.42229 
1 1 1 -5  12 44 o 175.8475 10.11085 932.7307       103.8339 917.1530       145.2836 948.9958       148.4545 171.8467 14.55202 174.7788 14.61658 -2.932114      20.62536 
1 1 1 -5  12 45 o 39.67989 18.02304 -37.36256      91.29778 47.09195       125.5212 -132.2312      133.0353 54.95527 23.06371 41.70464 19.84579 13.25063       30.42680 
1 1 1 -5  12 46 o 163.9906 11.06182 820.5434       105.7663 818.1370       149.4244 822.9596       149.7284 160.3459 16.10757 160.8353 16.08923 -0.4894257     22.76658 
1 1 1 -5  12 47 o 107.9315 17.33593 381.1936       106.0205 489.8040       152.1544 278.6952       147.8111 118.5494 22.71095 86.42901 26.58009 32.12037       34.96124 
1 1 1 -5  12 48 o 127.1737 15.58570 518.9700       113.8178 589.5065       168.3573 459.5949       154.4640 129.5919 22.99354 113.2359 24.00516 16.35601       33.24080 
1 1 1 -5  12 49 o 72.99870 23.52968 192.2306       114.5448 291.5379       159.4917 86.44577       164.6112 86.37180 27.75802 61.81410 26.20121 24.55770       38.17082 
1 1 1 -5  12 50 o 124.7296 17.05793 512.5513       121.5145 462.7601       178.9566 555.1480       165.5235 108.6030 27.93787 124.0528 23.61344 -15.44982      36.58031 
1 1 1 -5  13 1  o 318.4361 12.53552 2984.008       233.6501 2984.008       233.6501 0.000000       0.000000 318.4361 12.53552 ?        ?        0.000000       12.53552 
1 1 1 -5  13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  13 3  o 376.8692 8.395359 4168.446       185.5583 0.000000       0.000000 4168.446       185.5583 ?        ?        376.8692 8.395359 0.000000       8.395359 
1 1 1 -5  13 4  o 646.6902 16.06430 12300.56       609.2685 0.000000       0.000000 12300.56       609.2685 ?        ?        646.6902 16.06430 0.000000       16.06430 
1 1 1 -5  13 5  o 346.5578 6.981047 3523.778       141.8884 3474.680       195.3811 3578.565       206.3923 343.9118 9.696582 348.9925 10.09447 -5.080719      13.99722 
1 1 1 -5  13 6  o 96.96275 7.699459 277.6052       43.42476 285.1393       57.79255 267.8360       65.80926 98.02765 10.20153 94.72916 12.12296 3.298492       15.84416 
1 1 1 -5  13 7  o 171.6666 6.054461 865.5551       60.85993 1003.901       89.10914 744.6008       83.32008 184.7793 8.243531 159.0321 8.969709 25.74716       12.18243 
1 1 1 -5  13 8  o 900.8405 13.95411 23842.79       737.2259 24722.29       1213.596 23328.43       928.0974 915.8698 22.59384 890.5354 17.77018 25.33441       28.74475 
1 1 1 -5  13 9  o 326.2772 6.410734 3122.989       122.6719 3189.244       189.6240 3075.304       160.8692 329.4838 9.824131 323.6163 8.483335 5.867462       12.98001 
1 1 1 -5  13 10 o 427.6182 7.422923 5365.034       186.1580 5296.348       285.6198 5415.760       245.4556 424.5545 11.48162 429.5493 9.743375 -4.994843      15.05859 
1 1 1 -5  13 11 o 539.6267 8.115538 8544.784       256.8392 8925.226       378.7445 8220.882       349.4700 551.3070 11.71392 529.1347 11.26142 22.17230       16.24917 
1 1 1 -5  13 12 o 852.8830 11.85073 21362.26       592.7686 21042.99       823.1880 21706.10       854.2789 845.8804 16.59356 859.0493 16.95630 -13.16888      23.72472 
1 1 1 -5  13 13 o 604.9748 8.950489 10741.86       317.5664 11036.89       460.9561 10475.32       438.1265 612.9413 12.82302 597.1703 12.50981 15.77094       17.91438 
1 1 1 -5  13 14 o 308.1932 7.130483 2786.906       128.8821 2715.840       180.0821 2861.528       184.5330 303.9803 10.11532 312.0372 10.09693 -8.056854      14.29223 
1 1 1 -5  13 15 o 195.8359 8.533976 1127.757       97.78009 1082.987       139.7703 1170.670       136.8401 191.5872 12.50774 199.2909 11.76008 -7.703674      17.16808 
1 1 1 -5  13 16 o 596.2850 8.896686 10437.16       311.1234 10324.26       434.9246 10555.48       445.2468 592.7487 12.51102 599.3339 12.66722 -6.585205      17.80405 
1 1 1 -5  13 17 o 160.1682 8.128575 754.9102       76.10600 706.1877       105.0339 808.7664       110.4289 154.5978 11.67065 165.5264 11.44584 -10.92860      16.34660 
1 1 1 -5  13 18 o 621.4448 9.076397 11339.78       330.8008 11210.23       460.0120 11478.52       476.0458 617.4905 12.70248 624.7985 12.99147 -7.307983      18.16951 
1 1 1 -5  13 19 o 244.7092 6.607017 1758.695       94.73463 1804.880       138.4360 1718.018       129.9192 247.6990 9.547466 241.6855 9.182543 6.013535       13.24663 
1 1 1 -5  13 20 o 202.0695 6.513144 1199.670       77.08577 1262.125       111.6020 1142.687       106.6013 207.0732 9.212687 197.0082 9.252151 10.06505       13.05664 
1 1 1 -5  13 21 o 457.9688 7.298700 6158.148       196.0342 6163.870       280.1937 6152.662       274.3666 457.8749 10.43424 457.4821 10.22602 0.3927917      14.60976 
1 1 1 -5  13 22 f 530.1360 7.909447 8255.613       245.9144 8201.470       344.3216 8311.984       351.3354 527.9475 11.12047 531.4677 11.27183 -3.520142      15.83411 
1 1 1 -5  13 23 o 216.1963 6.132745 1373.360       77.68097 1418.813       109.8190 1327.843       109.8960 219.5443 8.545450 212.3490 8.843676 7.195297       12.29778 
1 1 1 -5  13 24 o 289.2496 6.094037 2456.668       103.3780 2446.921       144.6754 2466.836       147.7710 288.3615 8.564236 289.5158 8.712859 -1.154388      12.21720 
1 1 1 -5  13 25 o 390.3380 8.354360 4480.311       191.2513 4283.853       393.6330 4541.018       218.8141 379.4448 17.73764 392.8143 9.498119 -13.36948      20.12059 
1 1 1 -5  13 26 o 424.5984 7.682190 5300.322       191.2995 5355.973       440.9275 5287.417       212.3235 424.0865 17.76746 423.9520 8.539467 0.1344604      19.71307 
1 1 1 -5  13 27 o 409.5643 8.340606 4935.324       200.3411 0.000000       0.000000 4935.324       200.3411 ?        ?        409.5643 8.340606 0.000000       8.340606 
1 1 1 -5  13 28 o 139.3125 8.498933 573.3005       69.10884 650.5720       220.4490 564.8788       72.77747 144.1776 27.06486 138.2166 9.027540 5.960983       28.53074 
1 1 1 -5  13 29 o 61.51535 16.53694 116.3563       60.94033 13.43203       202.2665 126.6319       63.91001 67.90511 28.92308 64.08835 16.80147 3.816765       33.44897 
1 1 1 -5  13 30 o 270.9949 6.617162 2158.296       105.1679 2159.846       145.0671 2156.579       152.6849 270.6646 9.151919 270.3795 9.644242 0.2851257      13.29545 
1 1 1 -5  13 31 o 169.4376 8.597419 847.1693       85.15433 876.6646       116.5239 813.3629       124.7492 171.9311 11.62441 165.3458 12.96824 6.585327       17.41557 
1 1 1 -5  13 32 o 278.2022 7.383702 2277.779       120.3653 2277.093       183.5488 2278.297       159.4319 277.4898 11.30222 277.8530 9.799191 -0.3631897     14.95876 
1 1 1 -5  13 33 o 274.9152 6.977487 2224.096       112.4080 2151.910       152.3863 2310.259       166.4854 269.9794 9.639675 279.6435 10.16821 -9.664093      14.01128 
1 1 1 -5  13 34 o 148.2605 9.254321 650.7222       80.06623 706.6842       108.6002 584.0822       118.5091 154.0264 12.11980 139.3910 14.71860 14.63538       19.06638 
1 1 1 -5  13 35 o 76.53653 17.56340 182.5708       77.16207 102.6449       106.9469 269.3519       111.4389 62.74028 22.66543 92.55235 21.01230 -29.81207      30.90693 
1 1 1 -5  13 36 o 176.7728 8.685905 924.3188       89.77374 809.6025       121.9141 1060.205       132.6874 164.5711 12.73026 188.6248 12.05759 -24.05373      17.53411 
1 1 1 -5  13 37 o 381.2095 7.381862 4282.745       165.0366 4306.793       223.5821 4253.956       244.6293 381.3548 10.00536 378.6082 11.02887 2.746552       14.89104 
1 1 1 -5  13 38 o 93.25073 16.33650 269.2364       86.08887 367.4408       123.9690 177.7671       119.6424 108.0261 20.31286 75.69725 24.01079 32.32888       31.45044 
1 1 1 -5  13 39 o 145.8529 10.93833 636.8381       92.88413 578.0985       137.6780 685.9072       125.8354 136.7204 17.57656 150.2859 14.45498 -13.56560      22.75702 
1 1 1 -5  13 40 o 82.08881 18.09232 215.1153       84.75104 173.2807       128.2269 247.5675       112.9361 74.28423 24.94303 86.95637 22.10180 -12.67213      33.32632 
1 1 1 -5  13 41 o 42.10367 18.45651 -10.66431      87.19830 107.9797       132.5404 -101.2071      115.7850 64.69168 24.85400 40.79299 19.13773 23.89869       31.36836 
1 1 1 -5  13 42 o 196.6086 9.066896 1154.914       104.2655 1105.687       146.7034 1205.161       148.2157 190.3920 13.22047 199.0645 12.76274 -8.672516      18.37576 
1 1 1 -5  13 43 o 46.07715 19.37733 21.72813       88.88567 42.04681       124.5930 0.6686979      126.8438 54.87489 23.00074 50.98731 22.30781 3.887581       32.04173 
1 1 1 -5  13 44 o 90.64728 19.34983 272.0957       99.73630 74.62531       159.8748 397.9108       127.6131 62.48311 26.11268 109.3248 20.66020 -46.84172      33.29739 
1 1 1 -5  13 45 o 226.1951 8.809645 1535.026       116.6436 1619.307       167.9949 1456.574       162.0819 229.7208 12.51668 217.6574 12.75315 12.06340       17.86926 
1 1 1 -5  13 46 o 38.00971 17.76394 -72.69963      98.17089 -24.89929      147.6137 -110.6083      131.4560 51.19719 23.11885 42.38562 20.04001 8.811569       30.59548 
1 1 1 -5  13 47 o 106.6948 17.91551 375.8993       108.1351 395.0052       157.5641 358.8882       148.6751 103.2836 26.02648 98.72832 25.49929 4.555313       36.43613 
1 1 1 -5  13 48 o 62.62026 22.68392 128.4813       107.2144 249.0714       166.4428 42.95853       140.1684 80.64094 28.36730 55.30329 23.82593 25.33765       37.04563 
1 1 1 -5  13 49 o 58.18805 24.86146 64.01884       150.2747 -16.73176      178.9664 257.0592       276.7086 55.11892 25.11274 81.05868 34.14466 -25.93976      42.38523 
1 1 1 -5  14 1  o 285.2980 12.77866 2395.694       213.2707 2395.694       213.2707 0.000000       0.000000 285.2980 12.77866 ?        ?        0.000000       12.77866 
1 1 1 -5  14 2  o 585.8098 10.69204 10075.22       367.3396 10132.88       537.5026 10024.68       503.1869 586.8777 15.63037 583.8429 14.70716 3.034851       21.46180 
1 1 1 -5  14 3  o 742.7617 12.83634 16205.43       559.1667 15732.98       757.9618 16769.60       828.2698 731.2964 17.67272 754.8568 18.70926 -23.56042      25.73639 
1 1 1 -5  14 4  o 417.5580 7.939395 5116.028       194.4262 5109.946       272.7397 5122.313       277.2357 417.0305 11.16146 417.5224 11.33237 -0.4919434     15.90599 
1 1 1 -5  14 5  o 373.3078 7.397485 4088.755       161.9577 4116.331       228.2277 4060.782       229.8667 374.3207 10.40628 371.7747 10.55323 2.546021       14.82098 
1 1 1 -5  14 6  o 784.5823 13.51788 18083.55       622.0103 18078.20       877.8651 18088.95       881.4566 783.7605 19.09826 783.9827 19.17097 -0.2221680     27.06048 
1 1 1 -5  14 7  o 401.4760 7.298716 4728.986       171.8528 4904.295       269.5324 4608.899       223.0779 408.5471 11.25985 396.2697 9.598762 12.27744       14.79596 
1 1 1 -5  14 8  o 351.6540 6.877439 3627.911       141.8381 3648.897       210.6142 3610.493       191.8719 352.4226 10.20071 350.6149 9.339369 1.807770       13.83034 
1 1 1 -5  14 9  o 1076.622 16.15980 34079.96       1020.351 33564.57       1590.219 34440.65       1330.307 1066.367 25.42726 1081.323 20.97712 -14.95605      32.96339 
1 1 1 -5  14 10 o 667.1060 10.46555 13064.94       409.4562 12860.02       634.5385 13211.14       535.9763 661.3078 16.36077 670.5613 13.62877 -9.253540      21.29362 
1 1 1 -5  14 11 f 479.1626 8.366161 6737.745       235.1038 6748.339       362.0943 6730.023       309.1267 479.1174 12.89806 478.7556 11.00961 0.3617554      16.95794 
1 1 1 -5  14 12 o 396.3264 7.927907 4609.269       184.2732 4690.972       249.6155 4511.412       273.1789 399.5684 10.66150 391.7440 11.90415 7.824310       15.98050 
1 1 1 -5  14 13 o 272.4008 7.241958 2178.766       115.5925 2206.410       164.9095 2152.066       162.0723 273.9425 10.28271 270.5465 10.23292 3.395966       14.50678 
1 1 1 -5  14 14 o 445.6154 7.858000 5827.387       205.3632 5602.461       283.6168 6075.294       297.7537 436.6252 11.08470 454.8179 11.16269 -18.19266      15.73138 
1 1 1 -5  14 15 o 666.7162 9.639093 13050.84       376.9014 12823.72       526.4031 13289.74       539.8909 660.4874 13.58950 672.3694 13.69139 -11.88196      19.29063 
1 1 1 -5  14 16 o 298.7158 6.550450 2618.198       114.7572 2412.377       154.2601 2873.258       171.7231 286.5024 9.192577 312.6877 9.374718 -26.18527      13.12969 
1 1 1 -5  14 17 o 742.8136 10.50310 16208.77       457.5596 15902.17       634.2795 16541.44       660.7031 735.1288 14.71183 749.7032 15.02680 -14.57440      21.02957 
1 1 1 -5  14 18 o 576.8959 8.578976 9772.438       290.2575 9346.266       388.5782 10310.39       436.5730 563.8427 11.75087 592.1024 12.57215 -28.25970      17.20877 
1 1 1 -5  14 19 o 49.42038 18.17464 57.09238       69.20730 33.34651       86.04008 100.6147       116.4830 48.97948 19.65342 64.64728 23.61053 -15.66780      30.71993 
1 1 1 -5  14 20 o 165.1426 7.671339 802.5491       74.09562 799.9508       110.6678 804.6602       99.75399 164.5078 11.54383 165.1218 10.35301 -0.6139984     15.50628 
1 1 1 -5  14 21 o 142.8333 7.619440 600.8754       63.59582 552.6000       89.64446 649.7885       90.23457 136.5810 11.29217 148.2778 10.44319 -11.69681      15.38094 
1 1 1 -5  14 22 o 313.5762 6.170818 2886.785       113.4845 3007.774       167.1371 2783.294       154.5799 319.7529 8.921391 307.6180 8.576594 12.13495       12.37535 
1 1 1 -5  14 23 o 166.0644 7.005417 811.4919       68.07449 796.7228       98.03249 825.2456       94.60281 164.2184 10.22963 167.2060 9.688707 -2.987579      14.08958 
1 1 1 -5  14 24 f 324.4138 6.361941 3090.986       121.0429 3173.509       175.8216 3016.636       166.8886 328.3177 9.140085 320.1274 8.897640 8.190308       12.75575 
1 1 1 -5  14 25 o 460.7811 7.327688 6240.178       198.0214 6157.843       277.7746 6325.259       282.3710 457.2132 10.35913 463.3804 10.39039 -6.167206      14.67214 
1 1 1 -5  14 26 o 450.7406 8.206202 5976.467       216.9299 5886.090       274.0990 6127.974       354.8890 446.8803 10.45841 455.0605 13.31190 -8.180237      16.92882 
1 1 1 -5  14 27 o 266.3466 8.302248 2089.359       129.5277 1781.388       284.6540 2169.779       145.4594 243.2603 20.13254 271.3023 9.155044 -28.04202      22.11638 
1 1 1 -5  14 28 o 334.5906 7.142906 3291.422       140.1649 3495.625       359.4632 3254.807       152.2133 341.9893 17.98543 332.6405 7.802377 9.348785       19.60491 
1 1 1 -5  14 29 o 100.7118 11.34071 303.0929       65.82091 252.1692       231.9669 307.5520       68.64225 94.83457 33.47773 101.3882 11.76192 -6.553635      35.48381 
1 1 1 -5  14 30 o 233.2968 7.762114 1602.655       106.0557 1455.176       297.0767 1624.196       113.5372 218.5565 23.54803 234.7973 8.257933 -16.24081      24.95402 
1 1 1 -5  14 31 o 489.1862 8.084218 7041.182       231.9331 7463.721       345.6406 6695.086       312.8161 502.7101 11.72348 476.2698 11.19916 26.44025       16.21300 
1 1 1 -5  14 32 o 370.1004 7.051600 4027.832       153.0586 4102.282       215.2567 3951.698       217.6787 372.8833 9.851762 365.9011 10.15364 6.982239       14.14757 
1 1 1 -5  14 33 o 168.4812 8.421304 838.1422       82.94733 776.9444       112.6329 910.6642       122.6118 161.6192 11.96780 175.0340 12.01719 -13.41475      16.95998 
1 1 1 -5  14 34 o 234.7928 8.330543 1626.630       114.5301 1733.718       142.6953 1432.740       192.0067 242.0662 10.07338 218.7735 15.05663 23.29271       18.11560 
1 1 1 -5  14 35 o 74.90541 17.12094 174.8406       73.56696 211.1713       101.6537 134.8873       106.6014 81.89049 21.05111 68.00266 22.74142 13.88783       30.98905 
1 1 1 -5  14 36 o 378.8065 7.292204 4227.330       162.0044 4151.046       221.7622 4314.630       237.2375 374.4448 10.10757 381.5714 10.61155 -7.126648      14.65496 
1 1 1 -5  14 37 o 342.7083 7.409556 3462.620       148.9249 3513.729       204.7104 3405.161       217.0545 344.2755 10.14980 338.6117 10.94428 5.663849       14.92634 
1 1 1 -5  14 38 o 328.6374 7.431849 3187.083       143.2400 3159.059       198.9354 3217.253       206.4156 326.0425 10.41706 328.9088 10.71511 -2.866272      14.94418 
1 1 1 -5  14 39 o 165.1905 9.696265 813.5449       93.52466 771.7488       132.6962 854.8007       131.8357 159.3243 14.35501 168.0774 13.48748 -8.753159      19.69717 
1 1 1 -5  14 40 o 149.9724 10.31521 674.4962       90.17507 671.0466       133.3928 677.3992       122.3724 147.4984 15.65935 148.8495 14.18946 -1.351028      21.13188 
1 1 1 -5  14 41 f 41.91970 18.37603 -10.09237      86.44119 -46.91367      130.0517 19.04875       115.6963 47.82809 21.63892 51.31132 21.86560 -3.483227      30.76275 
1 1 1 -5  14 42 o 107.4062 14.59323 359.0261       89.54899 387.2711       128.6943 332.5141       124.6837 108.5413 20.97597 99.93734 21.88103 8.603958       30.31123 
1 1 1 -5  14 43 o 78.89658 19.87751 206.9973       91.91950 167.2307       130.3180 246.3707       129.6720 71.66988 25.10943 84.29999 24.66598 -12.63010      35.19793 
1 1 1 -5  14 44 o 47.99924 19.79074 36.82130       90.10270 84.07599       134.7467 -1.396490      121.1793 60.46218 24.47654 49.33338 21.68743 11.12880       32.70238 
1 1 1 -5  14 45 o 119.6711 14.56826 450.7556       100.1420 433.5097       146.2458 465.9807       137.4110 111.9441 23.04411 117.9184 20.62004 -5.974319      30.92276 
1 1 1 -5  14 46 o 101.8661 18.00969 342.1204       103.6587 426.0475       152.8710 270.6867       141.0345 109.1849 24.47930 85.84267 25.87704 23.34221       35.62102 
1 1 1 -5  14 47 o 77.57428 22.49420 213.4219       108.2765 113.7571       166.1248 287.0313       142.7677 65.24440 26.88401 87.72885 25.93863 -22.48445      37.35722 
1 1 1 -5  14 48 o 32.37393 15.98391 -209.5415      110.0574 -393.3517      178.3151 -96.43105      139.8797 38.30816 19.14769 44.29321 20.85950 -5.985050      28.31524 
1 1 1 -5  14 49 o 158.8661 14.37916 801.7626       132.5232 846.9873       203.1881 768.2822       174.8257 154.5855 23.12103 149.9481 20.40911 4.637421       30.84013 
1 1 1 -5  15 1  o 679.7715 9.771671 13562.98       389.5671 14022.33       500.0224 12853.50       621.4180 690.9938 12.33857 661.2281 16.02441 29.76569       20.22429 
1 1 1 -5  15 2  o 1065.756 14.80635 33379.03       925.4570 33401.26       1140.273 33336.13       1584.145 1065.514 18.24732 1062.842 25.41416 2.672729       31.28649 
1 1 1 -5  15 3  o 1005.768 14.01149 29720.48       826.4808 29017.09       980.4829 31447.05       1536.154 993.3707 16.82977 1032.301 25.37337 -38.92987      30.44748 
1 1 1 -5  15 4  o 655.2239 11.50504 12605.70       442.1082 12272.13       601.5479 12997.52       651.9612 646.1159 15.87484 664.6363 16.73913 -18.52039      23.06965 
1 1 1 -5  15 5  o 725.9944 12.60724 15480.09       536.7892 15260.61       742.9914 15719.73       776.3777 720.2917 17.58834 730.9788 18.10997 -10.68713      25.24521 
1 1 1 -5  15 6  o 137.6155 7.506854 557.3000       60.35706 603.6809       77.91441 487.7008       95.44435 143.1148 9.333809 128.2161 12.86649 14.89862       15.89549 
1 1 1 -5  15 7  o 508.6572 8.529160 7592.659       254.4380 7629.056       395.4008 7566.935       332.4026 509.4365 13.24541 507.6602 11.16454 1.776306       17.32305 
1 1 1 -5  15 8  o 307.2477 6.759493 2769.525       121.8017 2828.702       179.4996 2719.024       165.8197 310.2722 9.876972 304.2268 9.304629 6.045380       13.56948 
1 1 1 -5  15 9  o 133.3931 9.419839 524.8719       73.21924 533.8117       96.37563 512.6681       112.6032 134.2452 12.38040 131.2314 14.89371 3.013885       19.36742 
1 1 1 -5  15 10 f 510.4693 8.626040 7647.451       258.2448 7685.954       405.0601 7621.083       335.2037 511.2692 13.52074 509.4437 11.21921 1.825500       17.56932 
1 1 1 -5  15 11 o 643.6519 10.25552 12163.12       387.1322 11795.37       586.8848 12446.39       515.0895 633.3243 15.80069 650.8181 13.49499 -17.49377      20.77924 
1 1 1 -5  15 12 o 699.4612 11.16072 14367.99       457.8320 13875.02       683.0997 14770.04       616.8946 686.6864 16.96192 708.7739 14.84064 -22.08746      22.53778 
1 1 1 -5  15 13 o 644.6758 9.564054 12201.30       361.6046 11910.68       503.2218 12511.57       519.9611 636.5887 13.47876 652.4369 13.58882 -15.84814      19.13983 
1 1 1 -5  15 14 o 105.9478 16.42327 338.0702       98.74669 298.5515       112.2070 473.7781       207.9319 98.87582 20.03707 123.9593 29.10270 -25.08344      35.33343 
1 1 1 -5  15 15 o 527.1636 8.352537 8157.380       258.2346 7894.871       351.4406 8465.437       380.7106 518.3722 11.56005 536.7278 12.09457 -18.35565      16.73061 
1 1 1 -5  15 16 o 544.3541 8.332597 8699.082       266.0189 8392.194       367.3948 9037.289       385.6864 534.3712 11.72302 554.5146 11.85962 -20.14343      16.67572 
1 1 1 -5  15 17 o 432.7049 7.310906 5495.815       185.5298 5424.137       257.3834 5573.342       267.6767 429.6725 10.21392 435.5200 10.47977 -5.847473      14.63386 
1 1 1 -5  15 18 o 439.3320 9.144619 5669.675       235.6183 5858.997       528.5922 5622.732       263.2139 444.6423 20.32401 437.4115 10.26049 7.230804       22.76715 
1 1 1 -5  15 19 o 311.0871 6.272172 2840.419       114.4328 2808.652       160.4028 2873.345       163.3009 309.0757 8.858188 312.6124 8.916117 -3.536713      12.56840 
1 1 1 -5  15 20 o 478.3718 7.510923 6720.461       210.7218 6742.837       302.2927 6699.312       293.8958 478.7917 10.76541 477.2795 10.49954 1.512207       15.03776 
1 1 1 -5  15 21 o 425.1378 6.966074 5307.784       173.6874 5240.978       245.8302 5374.375       245.4325 422.1366 9.929598 427.4928 9.789326 -5.356201      13.94374 
1 1 1 -5  15 22 o 394.3405 6.754817 4567.060       156.2196 4562.024       223.6289 4571.859       218.3223 393.8012 9.682786 394.2563 9.442108 -0.4550781     13.52441 
1 1 1 -5  15 23 o 425.9735 7.018526 5330.802       175.3392 5362.489       251.1202 5300.658       244.9298 426.8246 10.03187 424.3871 9.840766 2.437561       14.05272 
1 1 1 -5  15 24 o 170.0190 7.449121 851.2129       74.09651 952.9073       115.8256 780.7634       96.40401 179.4779 11.05750 162.5127 10.16572 16.96515       15.02032 
1 1 1 -5  15 25 o 41.85764 16.13881 34.20180       56.02588 30.10757       87.42375 37.05511       72.98244 48.58007 19.69757 46.40147 18.26757 2.178600       26.86444 
1 1 1 -5  15 26 o 278.2911 6.395566 2275.555       104.3828 2274.671       149.7298 2276.392       145.5960 277.7897 9.203257 277.9351 8.943787 -0.1453552     12.83321 
1 1 1 -5  15 27 o 190.8890 7.065673 1072.700       78.96504 1136.572       113.4598 1012.698       109.9689 196.1380 9.895438 185.0726 10.17068 11.06548       14.19022 
1 1 1 -5  15 28 o 362.4783 6.956723 3862.472       147.8895 4068.394       216.9860 3683.834       202.1010 371.3974 9.970923 353.4393 9.759310 17.95810       13.95218 
1 1 1 -5  15 29 o 143.9645 11.56137 615.7468       96.79469 698.6536       285.8652 605.0104       102.8714 147.4465 33.78396 142.5513 12.42890 4.895264       35.99769 
1 1 1 -5  15 30 o 453.2632 8.366015 6046.064       222.3922 6784.576       567.2334 5911.925       241.7471 475.5722 20.38466 448.0397 9.200137 27.53256       22.36463 
1 1 1 -5  15 31 o 227.1983 7.240097 1519.483       96.34856 1598.620       131.3707 1427.368       141.7334 232.7055 9.646820 219.6328 11.03873 13.07271       14.65997 
1 1 1 -5  15 32 o 159.4702 8.519941 751.0781       79.39396 681.9145       105.2077 842.5665       121.0017 151.3900 11.94625 168.3018 12.34480 -16.91185      17.17868 
1 1 1 -5  15 33 o 315.6942 10.24866 2946.032       189.4997 0.000000       0.000000 2946.032       189.4997 ?        ?        315.6942 10.24866 0.000000       10.24866 
1 1 1 -5  15 34 o 98.64085 14.06860 295.1664       79.08396 191.8959       108.1262 413.9604       115.9684 78.37360 22.40280 116.2461 17.55695 -37.87251      28.46282 
1 1 1 -5  15 35 o 84.03483 15.54801 217.6212       73.80585 222.1654       100.9201 212.3963       108.2159 83.94199 20.64520 82.02840 22.03039 1.913582       30.19209 
1 1 1 -5  15 36 o 116.0403 12.49817 404.9009       83.71645 367.0231       119.9599 440.8623       116.8858 108.4920 19.57334 119.9175 17.10407 -11.42558      25.99355 
1 1 1 -5  15 37 o 187.1388 8.790792 1037.538       96.21149 1035.268       132.4240 1040.076       140.0208 186.0591 12.20306 186.2823 12.89614 -0.2231903     17.75458 
1 1 1 -5  15 38 o 33.59772 15.82295 -83.02163      80.49546 -35.48553      120.3769 -121.4698      108.2603 47.60292 21.23370 38.06675 18.05345 9.536171       27.87108 
1 1 1 -5  15 39 o 286.5264 7.384964 2429.284       123.9942 2439.731       170.8932 2417.669       180.1840 285.9756 10.20569 284.3765 10.82344 1.599121       14.87626 
1 1 1 -5  15 40 o 171.2145 9.616118 876.5969       96.17053 1015.710       143.1833 762.2577       129.8094 182.6951 13.45780 157.8183 14.17572 24.87682       19.54644 
1 1 1 -5  15 41 o 119.4313 13.12623 437.4135       90.42720 470.3748       131.2401 407.6213       124.7717 121.1186 19.10868 112.3189 19.65710 8.799721       27.41429 
1 1 1 -5  15 42 o 170.8820 10.26785 879.3835       102.4280 896.2134       147.2251 863.5952       142.5959 170.0885 14.90961 167.0663 14.70337 3.022186       20.94005 
1 1 1 -5  15 43 o 61.14666 21.28846 116.3411       93.58844 258.5174       147.6364 20.82629       121.0083 85.32365 26.61900 51.66388 22.19633 33.65977       34.65902 
1 1 1 -5  15 44 o 75.47275 20.94641 193.4277       95.98204 225.3141       147.6163 170.0730       126.3334 79.78262 26.76223 71.24250 24.73796 8.540115       36.44426 
1 1 1 -5  15 45 o 80.03597 20.79159 219.6301       98.46150 156.7068       150.5541 266.6565       130.1541 69.86495 26.57569 86.24204 24.55538 -16.37709      36.18334 
1 1 1 -5  15 46 o 67.60872 23.10189 156.0075       110.0256 166.4659       164.7747 147.5923       147.8042 71.10658 27.60631 67.98557 26.21313 3.121017       38.06883 
1 1 1 -5  15 47 o 46.15813 20.48868 -5.917618      110.6858 -58.16513      173.5869 29.88021       143.6853 52.18484 24.12506 54.67332 23.83496 -2.488480      33.91348 
1 1 1 -5  15 48 o 125.3639 17.57028 519.0225       125.6400 659.0277       202.6520 431.6083       160.1289 132.1740 27.05487 107.3775 25.75862 24.79646       37.35603 
1 1 1 -5  15 49 o 41.58460 19.60063 -90.42365      123.9807 -145.9440      203.7897 -57.79960      156.2159 50.88377 24.31045 49.13271 22.77412 1.751057       33.31154 
1 1 1 -5  16 1  o 775.0139 13.41425 17645.20       609.7145 16479.65       778.5938 19493.28       980.4069 748.4731 17.73716 813.3383 20.56995 -64.86511      27.16118 
1 1 1 -5  16 2  o 678.7255 12.10907 13528.61       482.0092 13528.61       482.0092 0.000000       0.000000 678.7255 12.10907 ?        ?        0.000000       12.10907 
1 1 1 -5  16 3  o 258.3569 16.35528 1970.444       246.5436 1970.444       246.5436 0.000000       0.000000 258.3569 16.35528 ?        ?        0.000000       16.35528 
1 1 1 -5  16 4  o 468.7448 8.819712 6448.242       242.4607 6387.522       335.6082 6514.535       350.6700 466.1960 12.28548 470.7744 12.71256 -4.578369      17.67886 
1 1 1 -5  16 5  o 687.8589 12.07932 13895.70       487.2955 14296.70       712.2304 13542.79       668.1587 697.1411 17.42005 678.5873 16.78894 18.55377       24.19352 
1 1 1 -5  16 6  o 617.2559 11.03783 11186.97       399.5762 11086.05       555.5056 11295.16       575.1798 613.8934 15.44151 619.6089 15.84134 -5.715454      22.12212 
1 1 1 -5  16 7  o 421.1095 7.777874 5203.497       192.0908 5219.917       290.6085 5190.756       255.9878 421.4319 11.76944 420.4861 10.38047 0.9458313      15.69312 
1 1 1 -5  16 8  o 285.2942 7.309156 2389.725       122.1948 2499.760       178.2639 2292.197       167.8271 291.6081 10.44034 279.2351 10.26553 12.37302       14.64179 
1 1 1 -5  16 9  o 458.8313 8.394762 6178.392       225.8978 6466.565       357.5829 5987.004       291.4117 468.9663 13.01382 451.5386 11.00428 17.42764       17.04270 
1 1 1 -5  16 10 o 443.7840 8.112007 5779.662       211.1303 5632.143       315.1146 5899.831       284.4076 437.6917 12.28796 448.2378 10.81888 -10.54614      16.37199 
1 1 1 -5  16 11 o 122.6184 12.68850 446.4672       89.92966 444.6676       121.1061 448.6792       134.2696 121.6882 17.46966 121.9245 19.42893 -0.2362671     26.12800 
1 1 1 -5  16 12 o 305.7591 19.16449 2765.237       341.9302 0.000000       0.000000 2765.237       341.9302 ?        ?        305.7591 19.16449 0.000000       19.16449 
1 1 1 -5  16 13 o 664.2987 10.65516 12960.70       415.1203 12995.17       652.3004 12937.23       538.1641 664.2064 16.75873 663.3411 13.83335 0.8652954      21.73055 
1 1 1 -5  16 14 o 463.5632 8.365418 6308.026       227.4297 6023.456       279.2299 6868.864       391.9991 452.8488 10.51376 483.0947 13.85003 -30.24594      17.38858 
1 1 1 -5  16 15 o 180.0291 8.139815 953.3898       85.72018 879.6860       113.5975 1050.857       130.6332 172.6529 11.28052 188.7130 11.86326 -16.06010      16.37031 
1 1 1 -5  16 16 o 279.1413 6.899990 2286.955       112.9596 2319.201       160.5921 2255.377       158.9190 280.8076 9.766217 276.9090 9.801074 3.898590       13.83619 
1 1 1 -5  16 17 o 73.98497 16.48742 167.7535       69.70967 176.5081       93.56599 156.8317       104.5078 75.98454 20.51888 72.74489 22.34602 3.239647       30.33759 
1 1 1 -5  16 18 o 246.9224 6.887854 1791.265       99.64845 1599.598       143.4346 1970.076       138.5411 233.0211 10.52278 258.7845 9.142666 -25.76338      13.93977 
1 1 1 -5  16 19 o 256.0990 6.352278 1925.298       95.40868 1850.522       130.7422 2010.482       139.5440 250.7910 8.903131 261.3982 9.116400 -10.60719      12.74262 
1 1 1 -5  16 20 o 229.1352 6.436470 1542.698       86.40910 1555.414       125.5647 1531.260       119.0938 229.8236 9.335278 228.0712 8.920855 1.752396       12.91236 
1 1 1 -5  16 21 o 679.9949 9.675629 13601.73       385.8650 13573.45       542.8309 13630.63       548.6060 678.2374 13.64685 679.6282 13.76381 -1.390808      19.38244 
1 1 1 -5  16 22 o 487.0080 7.582493 6969.829       216.5702 7124.519       314.9874 6831.142       298.2505 491.8184 10.92038 481.6553 10.55831 10.16315       15.18989 
1 1 1 -5  16 23 o 296.9770 7.215951 2591.711       125.6802 2633.799       164.3988 2532.521       194.9610 299.0141 9.386305 292.8896 11.37154 6.124512       14.74499 
1 1 1 -5  16 24 o 302.5392 6.342988 2688.826       112.5449 2742.940       165.2786 2642.041       153.6788 305.1226 9.246838 299.5258 8.757818 5.596771       12.73591 
1 1 1 -5  16 25 f 385.7533 6.784672 4373.251       153.4931 4314.852       216.2634 4432.532       217.8899 382.6161 9.645300 387.9321 9.577029 -5.316071      13.59233 
1 1 1 -5  16 26 o 29.63508 13.74883 -49.41202      57.12746 -60.40429      89.76241 -41.92856      74.06313 38.56692 17.65261 35.90977 16.27986 2.657146       24.01351 
1 1 1 -5  16 27 o 358.8860 6.775392 3785.835       142.6072 3897.120       205.8464 3683.131       197.7512 363.5520 9.662987 353.4456 9.548696 10.10635       13.58495 
1 1 1 -5  16 28 o 143.5213 9.187684 609.0826       76.92830 573.7640       116.2574 636.5923       102.6035 138.3972 14.54020 146.3103 12.06451 -7.913132      18.89365 
1 1 1 -5  16 29 o 189.4887 8.365516 1058.680       92.73738 1105.417       137.3153 1019.486       125.7477 193.0533 12.19031 185.4663 11.61909 7.586975       16.84063 
1 1 1 -5  16 30 o 39.70335 17.82437 -39.01351      86.30323 -349.4731      325.7813 -15.58162      89.50085 66.28348 31.40086 43.11347 18.80316 23.17001       36.60018 
1 1 1 -5  16 31 o 106.9995 12.14113 342.7803       74.84354 203.5249       308.9966 351.4593       77.14058 96.20301 37.67350 108.3217 12.36389 -12.11870      39.65045 
1 1 1 -5  16 32 o 71.91024 17.38982 160.5954       72.52747 66.67155       99.12612 268.8056       106.3982 56.12957 21.51186 92.85464 20.12032 -36.72507      29.45484 
1 1 1 -5  16 33 o 239.7707 7.454908 1694.267       104.7035 1865.732       146.8437 1516.937       149.3338 251.1344 9.990014 226.1204 11.29653 25.01398       15.08019 
1 1 1 -5  16 34 o 235.5196 7.517135 1635.628       103.6987 1838.742       143.7649 1415.336       149.7206 249.2449 9.854463 218.1794 11.74413 31.06548       15.33085 
1 1 1 -5  16 35 o 76.77534 17.45966 184.1940       76.83293 250.7022       104.8414 107.0349       112.9246 89.15847 20.48170 64.00549 23.26659 25.15298       30.99733 
1 1 1 -5  16 36 o 60.51866 20.10325 107.2200       83.32922 170.8457       122.3162 52.11539       113.8313 74.86466 24.32983 56.19088 22.58543 18.67378       33.19703 
1 1 1 -5  16 37 o 349.1326 7.338620 3596.368       150.2641 3655.285       208.2646 3532.395       217.0166 350.8698 10.13150 344.6482 10.74974 6.221649       14.77174 
1 1 1 -5  16 38 o 160.0836 10.04946 765.0174       93.87365 955.6835       134.1563 582.1016       131.4014 178.0065 12.93898 137.3562 16.65138 40.65027       21.08757 
1 1 1 -5  16 39 o 74.79609 18.95394 180.3916       83.23299 104.3701       122.4703 245.6425       113.4635 63.35430 23.99937 86.38605 22.25775 -23.03176      32.73190 
1 1 1 -5  16 40 o 80.45617 17.88789 208.3862       82.22015 258.8070       115.6089 156.7831       116.9565 88.19968 22.33142 70.40403 23.82202 17.79565       32.65242 
1 1 1 -5  16 41 o 50.07956 19.77628 52.85182       85.77058 -23.07856      124.5590 121.3202       118.2803 48.60107 21.64425 64.62850 23.76126 -16.02743      32.14142 
1 1 1 -5  16 42 o 111.0385 15.07302 386.6258       95.62558 285.5001       139.5557 476.1303       131.2923 90.40158 25.31964 121.2157 19.09991 -30.81409      31.71577 
1 1 1 -5  16 43 o 141.7715 12.10525 615.9113       99.68781 488.6836       147.3680 723.2441       135.3564 120.6830 21.61509 151.7516 15.42283 -31.06862      26.55326 
1 1 1 -5  16 44 o 135.4389 12.54301 566.0143       98.49955 781.1734       148.9472 398.7877       131.3123 156.6418 16.45899 108.4520 21.40538 48.18977       27.00164 
1 1 1 -5  16 45 o 188.1265 10.02695 1072.967       110.2295 1068.818       154.1805 1077.305       157.6537 184.6467 14.35020 185.1420 14.63843 -0.4953766     20.49907 
1 1 1 -5  16 46 o 47.75692 20.53168 20.67485       103.6711 101.3957       156.7786 -42.04722      138.1988 63.25355 26.09558 48.01009 21.94792 15.24346       34.09825 
1 1 1 -5  16 47 o 44.84934 20.42929 -35.06991      118.3543 115.5468       194.4811 -123.6605      149.1539 67.08227 28.45871 44.34111 21.07566 22.74115       35.41301 
1 1 1 -5  16 48 o 70.82627 26.26329 178.8318       145.0358 626.9587       231.2250 -111.8445      186.2254 122.7475 31.84927 50.41300 23.84038 72.33453       39.78366 
1 1 1 -5  17 1  o 761.0424 13.50147 17017.10       602.6158 16840.16       854.2014 17192.41       850.2672 756.0675 19.27985 764.2272 18.97066 -8.159668      27.04808 
1 1 1 -5  17 2  o 793.3775 11.36249 18483.47       528.6935 17678.75       610.0963 20909.94       1059.403 775.7029 13.41073 842.0784 21.46902 -66.37549      25.31337 
1 1 1 -5  17 3  o 824.3722 11.78828 19958.21       569.9336 19216.47       664.0981 22031.61       1110.324 808.6583 14.00286 864.2637 21.92318 -55.60541      26.01357 
1 1 1 -5  17 4  o 186.1486 11.29069 1021.253       122.6828 1021.253       122.6828 0.000000       0.000000 186.1486 11.29069 ?        ?        0.000000       11.29069 
1 1 1 -5  17 5  f 198.9261 8.480303 1163.423       98.70884 1165.982       125.6127 1159.292       159.6050 198.9837 10.80433 198.1432 13.82128 0.8404694      17.54313 
1 1 1 -5  17 6  o 362.0075 8.252525 3845.830       175.2084 3898.995       241.3304 3786.575       254.7804 364.2030 11.31214 358.8442 12.12366 5.358856       16.58155 
1 1 1 -5  17 7  o 548.6058 10.23034 8836.263       329.1555 9220.144       482.8373 8502.971       449.8985 559.8409 14.71847 537.6627 14.28035 22.17822       20.50760 
1 1 1 -5  17 8  o 418.8747 8.635935 5149.635       212.1505 5096.768       291.7534 5208.954       309.0449 416.3777 11.95991 420.8872 12.53400 -4.509430      17.32457 
1 1 1 -5  17 9  f 176.4370 9.101894 916.2134       93.86454 828.0099       123.0473 1038.980       145.1673 167.3997 12.62642 187.5599 13.28303 -20.16017      18.32663 
1 1 1 -5  17 10 o 215.3089 7.928365 1362.338       99.94331 1513.432       142.1309 1214.557       140.5645 226.7597 10.71773 202.9868 11.85913 23.77292       15.98464 
1 1 1 -5  17 11 o 367.7122 7.496106 3967.969       161.6569 3785.822       227.2557 4154.548       230.0039 358.8635 10.81012 375.9790 10.44100 -17.11551      15.02907 
1 1 1 -5  17 12 o 427.9945 10.49334 5380.037       263.3918 5686.014       323.4718 4777.994       453.7383 439.6685 12.55757 402.1248 19.29582 37.54361       23.02219 
1 1 1 -5  17 13 o 422.2669 10.41354 5237.648       257.8909 5698.469       324.8996 4452.846       423.9975 440.0984 12.60075 388.1729 18.67945 51.92551       22.53222 
1 1 1 -5  17 14 o 137.6021 12.82481 561.6104       102.3049 611.7611       116.0075 386.1461       216.9909 143.5236 13.95811 112.2390 31.62077 31.28456       34.56446 
1 1 1 -5  17 15 o 472.4160 7.793325 6552.114       215.9225 6207.813       289.3288 6984.921       324.3914 459.5936 10.73414 487.4482 11.34724 -27.85461      15.61991 
1 1 1 -5  17 16 o 154.8480 9.112017 706.8010       82.38477 547.2136       112.9816 888.0048       120.3904 135.5473 14.43412 173.3502 11.91423 -37.80296      18.71611 
1 1 1 -5  17 17 o 282.7375 8.003457 2349.604       132.5789 2326.595       155.3749 2411.217       254.2518 281.2214 9.434031 285.5659 15.23639 -4.344482      17.92062 
1 1 1 -5  17 18 f 215.8404 7.001786 1369.331       88.51503 1525.311       131.9425 1241.682       119.3595 227.5584 9.910231 205.2667 9.944482 22.29175       14.03942 
1 1 1 -5  17 19 o 463.6920 7.375280 6315.199       200.5666 6265.983       284.9853 6363.500       282.3215 461.4921 10.52950 465.0953 10.35027 -3.603210      14.76477 
1 1 1 -5  17 20 o 309.6642 6.335654 2815.701       115.0623 2798.074       164.0095 2832.784       161.4656 308.3427 9.079419 310.2749 8.882395 -1.932220      12.70168 
1 1 1 -5  17 21 o 261.7201 6.648476 2013.190       101.9666 1958.544       151.2388 2058.730       138.0650 257.7655 10.02343 264.4270 8.915564 -6.661560      13.41479 
1 1 1 -5  17 22 o 195.8533 6.875142 1128.344       78.84768 1128.113       111.1383 1128.578       111.8804 195.5284 9.722269 195.5608 9.785964 -0.3244019E-01 13.79448 
1 1 1 -5  17 23 o 242.3109 6.430169 1726.075       91.29811 1693.446       129.2694 1758.548       128.9612 239.6897 9.213091 244.2864 9.016852 -4.596741      12.89126 
1 1 1 -5  17 24 o 211.4810 6.649065 1315.550       82.36497 1314.917       118.8480 1316.135       114.2513 211.0736 9.626141 211.2243 9.245276 -0.1506958     13.34682 
1 1 1 -5  17 25 o 221.4653 6.892507 1443.056       89.41377 1464.603       129.9322 1423.674       123.2339 222.7106 9.973064 219.6281 9.590470 3.082489       13.83615 
1 1 1 -5  17 26 o 126.8047 9.530806 476.3472       70.35995 459.4009       102.6284 491.3762       96.64859 123.6973 14.41667 128.2469 13.03058 -4.549545      19.43287 
1 1 1 -5  17 27 o 574.5851 8.822617 9719.922       297.3051 9524.793       412.5059 9930.848       428.8777 567.6903 12.38991 579.5807 12.61738 -11.89038      17.68355 
1 1 1 -5  17 28 o 310.5326 7.234097 2835.240       131.7474 2948.726       194.2630 2738.590       179.2760 316.0521 10.49503 304.6554 10.04748 11.39673       14.52920 
1 1 1 -5  17 29 o 219.7602 8.051211 1422.838       103.5920 1517.359       155.2558 1346.990       139.0780 226.3688 11.73453 213.3499 11.15389 13.01888       16.18976 
1 1 1 -5  17 30 o 297.6441 7.237379 2605.396       126.3366 2657.432       180.8330 2555.781       176.5769 299.9848 10.29370 294.1935 10.24977 5.791321       14.52646 
1 1 1 -5  17 31 o 52.31429 18.74116 70.28677       72.94257 124.9444       115.9894 34.52930       93.81582 67.62328 23.68905 50.43594 20.42136 17.18734       31.27623 
1 1 1 -5  17 32 o 261.5703 7.024884 2014.568       107.6675 1992.314       142.3601 2044.308       164.5738 259.7075 9.361911 262.7880 10.70075 -3.080505      14.21799 
1 1 1 -5  17 33 o 154.9471 9.206494 711.1032       83.28486 656.6830       114.1577 773.0294       121.7762 148.0653 13.28738 160.8020 13.02418 -12.73679      18.60602 
1 1 1 -5  17 34 o 207.9874 11.10914 1285.328       135.0174 1131.780       345.7660 1312.953       146.6611 186.0417 32.89288 210.0008 11.95755 -23.95905      34.99892 
1 1 1 -5  17 35 o 168.4693 9.695430 842.2143       95.38939 879.1984       133.8781 804.0779       135.9476 171.2268 13.43938 163.4540 14.32631 7.772873       19.64332 
1 1 1 -5  17 36 o 222.6258 8.340315 1466.142       108.7026 1486.203       150.4682 1444.242       157.2107 223.2649 11.53049 219.8522 12.24105 3.412643       16.81652 
1 1 1 -5  17 37 o 37.89562 17.14064 -39.41757      81.53792 87.53922       118.8562 -152.2850      112.0671 61.26963 23.53686 37.03164 17.78134 24.23799       29.49847 
1 1 1 -5  17 38 o 78.01378 18.50409 194.8911       83.37412 128.9954       122.1928 252.2928       114.0459 67.13307 24.23054 87.83564 22.14737 -20.70257      32.82720 
1 1 1 -5  17 39 o 43.78375 18.65423 8.866251       84.17910 28.28341       123.1838 -8.145416      115.3012 53.81487 22.73120 48.53656 21.25126 5.278305       31.11790 
1 1 1 -5  17 40 o 180.2137 9.572105 972.5177       100.8057 1078.246       145.4179 874.7088       139.8658 188.0254 13.27243 168.7545 14.26556 19.27081       19.48497 
1 1 1 -5  17 41 o 175.5919 10.11331 927.5199       103.7068 936.5482       148.3653 918.8943       145.0189 174.0677 14.66969 172.5311 14.46504 1.536606       20.60187 
1 1 1 -5  17 42 o 119.2739 14.00679 442.7725       96.11433 437.6829       143.1783 446.9473       129.6750 113.9026 22.23175 116.7719 19.63087 -2.869385      29.65842 
1 1 1 -5  17 43 o 62.70436 21.19817 126.6292       92.61050 86.18561       143.2716 155.6561       121.3768 61.53624 25.11709 68.89075 24.22519 -7.354511      34.89597 
1 1 1 -5  17 44 o 116.0609 14.74441 425.7704       98.09856 569.6906       150.4631 319.3619       129.3770 130.6274 20.29897 95.28583 23.33949 35.34154       30.93187 
1 1 1 -5  17 45 o 53.48869 21.38534 68.16688       101.4931 53.20189       155.7049 79.22260       133.8313 58.66247 25.19028 58.79053 24.16737 -0.1280632     34.90862 
1 1 1 -5  17 46 o 117.5347 16.90236 450.5188       113.1639 466.1081       174.4312 439.1887       148.7054 111.3106 27.00006 110.9997 23.57203 0.3108902      35.84193 
1 1 1 -5  17 47 o 88.89359 22.70946 284.4513       118.8092 294.5723       205.9570 279.4035       145.4497 84.74577 31.32017 85.53056 26.37820 -0.7847900     40.94829 
1 1 1 -5  17 48 o 79.09634 24.61968 232.9745       126.3697 256.8255       212.4857 219.9219       157.1896 80.22437 31.29182 76.19002 27.48451 4.034355       41.64825 
1 1 1 -5  18 1  o 181.1835 26.09267 989.5682       269.2770 989.5682       269.2770 0.000000       0.000000 181.1835 26.09267 ?        ?        0.000000       26.09267 
1 1 1 -5  18 2  o 512.3477 8.327425 7703.685       250.2223 7791.656       313.6728 7549.742       414.9408 515.1501 10.38227 506.6421 13.97815 8.508057       17.41207 
1 1 1 -5  18 3  o 576.5142 11.20952 9760.637       379.0071 9760.637       379.0071 0.000000       0.000000 576.5142 11.20952 ?        ?        0.000000       11.20952 
1 1 1 -5  18 4  o 340.1014 19.67633 3418.656       390.7912 3418.656       390.7912 0.000000       0.000000 340.1014 19.67633 ?        ?        0.000000       19.67633 
1 1 1 -5  18 5  o 719.6649 12.73372 15217.10       537.4478 15394.70       765.7768 15044.69       754.4811 723.1378 18.05638 714.6524 18.01563 8.485413       25.50677 
1 1 1 -5  18 6  o 282.9838 8.124451 2352.097       134.6965 2308.809       175.2198 2414.632       210.6033 280.1970 10.68231 286.4020 12.56891 -6.205048      16.49513 
1 1 1 -5  18 7  o 489.8544 9.493439 7044.544       272.7351 7309.250       392.8305 6798.208       378.9550 498.5051 13.44875 480.7487 13.45384 17.75641       19.02301 
1 1 1 -5  18 8  o 625.0237 10.23357 11471.32       375.1233 11592.65       587.0965 11387.62       487.6474 627.4985 15.96611 622.4369 13.35857 5.061584       20.81750 
1 1 1 -5  18 9  o 90.79324 16.03696 249.7226       82.27198 325.6748       104.5281 126.0658       133.3742 103.7128 17.82744 70.82236 25.34550 32.89047       30.98729 
1 1 1 -5  18 10 o 353.3289 7.430164 3663.728       153.9671 3804.801       232.1565 3552.958       205.7178 359.7285 11.01711 347.6838 10.09944 12.04471       14.94575 
1 1 1 -5  18 11 o 183.8816 8.366705 994.6320       89.99200 1003.121       121.5737 984.3426       133.8454 184.4297 11.29395 182.5628 12.57775 1.866913       16.90423 
1 1 1 -5  18 12 o 295.6860 9.193903 2569.925       159.2404 2697.819       184.5296 2196.886       315.1502 302.8616 10.40439 272.0921 19.88660 30.76953       22.44389 
1 1 1 -5  18 13 o 391.8899 10.10421 4515.015       232.0355 4869.734       286.8091 3842.992       394.7690 406.7897 12.03511 360.3605 18.74349 46.42923       22.27471 
1 1 1 -5  18 14 o 305.1443 9.164722 2737.546       163.8259 2720.096       192.0863 2784.109       313.7753 304.0165 10.79041 306.6831 17.51817 -2.666595      20.57472 
1 1 1 -5  18 15 o 506.1196 8.747627 7524.338       259.6534 7412.603       393.9745 7610.140       345.2428 501.5944 13.40462 508.6717 11.57275 -7.077301      17.70910 
1 1 1 -5  18 16 o 554.0873 12.39757 9036.796       402.8704 0.000000       0.000000 9036.796       402.8704 ?        ?        554.0873 12.39757 0.000000       12.39757 
1 1 1 -5  18 17 o 143.4292 8.877161 606.8477       74.30679 594.9235       101.2061 620.7931       109.4486 141.6158 12.30764 144.5844 13.04763 -2.968613      17.93652 
1 1 1 -5  18 18 o 330.6612 6.618659 3210.456       128.3523 3226.734       185.5388 3195.516       177.7470 331.1213 9.564282 329.5581 9.205461 1.563202       13.27464 
1 1 1 -5  18 19 o 639.8979 9.184820 12041.54       344.6925 11956.67       486.6634 12126.99       488.2783 636.7192 13.03257 641.2520 12.98339 -4.532837      18.39610 
1 1 1 -5  18 20 o 199.8360 8.004619 1175.692       93.62358 1251.852       117.2159 1041.485       155.6004 206.0272 9.728361 187.2181 14.27911 18.80907       17.27814 
1 1 1 -5  18 21 o 344.6566 6.624726 3489.498       133.9076 3482.247       190.8162 3496.535       187.9638 343.8521 9.471241 344.5827 9.309545 -0.7306213     13.28051 
1 1 1 -5  18 22 o 271.1003 6.533947 2159.196       103.8858 2139.311       147.2686 2178.893       146.5672 269.4277 9.334131 271.9305 9.203535 -2.502747      13.10843 
1 1 1 -5  18 23 o 215.7452 6.807926 1369.272       86.03249 1401.220       124.8819 1340.414       118.6907 217.8813 9.798089 213.1313 9.519550 4.750092       13.66105 
1 1 1 -5  18 24 o 171.4123 7.517572 865.6721       75.38982 952.4593       109.0267 786.1542       104.3609 179.4439 10.40448 162.8825 10.98910 16.56139       15.13320 
1 1 1 -5  18 25 o 328.7118 6.781711 3175.968       130.7390 3180.300       184.7366 3171.622       185.0494 328.4090 9.601830 327.9546 9.631506 0.4544067      13.60004 
1 1 1 -5  18 26 o 90.54276 14.01685 248.3497       72.02811 151.2183       110.2725 320.6280       95.12425 71.63338 23.08645 102.6472 16.34923 -31.01387      28.28924 
1 1 1 -5  18 27 o 161.4255 9.396852 770.1243       88.57749 832.1370       132.1960 719.5989       119.3254 167.1331 13.60424 155.4158 13.21668 11.71732       18.96724 
1 1 1 -5  18 28 o 252.9008 9.062026 1885.819       134.1910 1761.496       156.5136 2230.804       260.7216 244.0985 10.96089 273.4810 16.32982 -29.38248      19.66734 
1 1 1 -5  18 29 o 98.86938 14.29281 295.5851       80.47399 397.8435       130.9746 233.5685       101.9980 113.5846 20.41178 86.59010 20.41926 26.99451       28.87190 
1 1 1 -5  18 30 o 224.4334 7.824931 1484.240       102.8380 1510.311       149.3470 1460.732       141.8149 225.8067 11.31344 222.1369 10.91902 3.669754       15.72320 
1 1 1 -5  18 31 f 262.5340 7.326157 2029.837       112.6905 2104.440       160.1061 1956.594       158.6409 266.7743 10.25233 257.1568 10.54115 9.617462       14.70463 
1 1 1 -5  18 32 o 51.44513 18.91251 64.62115       74.92997 144.0408       115.7473 7.328907       98.30934 70.42911 23.69856 47.73949 20.24241 22.68962       31.16692 
1 1 1 -5  18 33 o 244.8994 7.467404 1768.427       107.1273 1815.945       143.5421 1708.685       160.9496 247.6587 9.902655 239.8255 11.47641 7.833267       15.15819 
1 1 1 -5  18 34 o 59.56855 19.97834 102.3898       82.26405 211.2088       130.5958 30.80870       105.9196 82.08929 24.93415 52.10762 21.46839 29.98167       32.90294 
1 1 1 -5  18 35 o 229.1811 8.102107 1552.297       108.7285 1651.697       152.7495 1450.208       154.8018 235.6243 11.08481 220.4713 12.01762 15.15305       16.34920 
1 1 1 -5  18 36 o 190.6663 8.978173 1078.378       100.1131 1098.966       139.2244 1056.335       144.0622 191.4755 12.46577 187.4673 13.18723 4.008179       18.14658 
1 1 1 -5  18 37 o 217.6725 8.256551 1405.004       105.2119 1597.274       150.6550 1221.958       146.9966 231.0730 11.14981 201.5177 12.49933 29.55525       16.74967 
1 1 1 -5  18 38 o 117.7629 13.05154 423.1229       88.62914 487.7293       127.6030 362.9037       123.1943 124.5017 17.99734 105.9924 20.56024 18.50925       27.32449 
1 1 1 -5  18 39 o 34.68948 16.26238 -75.61218      83.34496 93.38504       126.2020 -206.3301      110.9926 61.88517 24.12221 33.52819 16.45479 28.35698       29.20002 
1 1 1 -5  18 40 o 83.17059 19.54254 226.8356       93.69764 264.6589       134.5591 191.2332       130.5488 87.88867 24.94861 76.02024 25.15943 11.86843       35.43205 
1 1 1 -5  18 41 o 64.64872 21.40068 134.1233       94.45380 129.3003       137.2234 138.4657       130.2082 66.86874 25.38691 67.56458 24.91509 -0.6958389     35.57045 
1 1 1 -5  18 42 o 49.67617 20.25117 45.13931       92.99737 193.9932       135.9296 -85.84547      127.5101 75.35651 25.67938 43.65398 20.34991 31.70253       32.76506 
1 1 1 -5  18 43 o 152.9571 11.16841 713.6570       99.49658 700.6254       145.0538 725.2364       136.7334 147.8755 17.03664 151.4799 15.61453 -3.604462      23.10976 
1 1 1 -5  18 44 o 108.5890 15.95344 378.8369       98.57244 410.4946       148.0807 353.6470       132.0905 107.5318 24.08074 100.4151 22.93423 7.116684       33.25449 
1 1 1 -5  18 45 o 97.68209 19.51279 322.7935       107.8711 560.3466       162.8322 137.0035       144.0028 126.7028 22.74908 66.29297 25.78801 60.40984       34.38811 
1 1 1 -5  18 46 o 41.54852 19.14600 -51.19697      108.0641 85.07597       170.4915 -142.7107      139.7143 62.50282 26.58578 41.65182 19.96129 20.85100       33.24541 
1 1 1 -5  18 47 o 171.8152 13.17523 925.4655       131.7481 1053.996       220.7397 854.3438       164.2019 173.8235 22.15606 161.0079 17.67974 12.81563       28.34544 
1 1 1 -5  18 48 o 52.85958 22.65473 43.43376       125.4862 159.4280       214.7335 -16.72161      154.6389 70.88143 29.97957 51.62511 23.45163 19.25632       38.06250 
1 1 1 -5  19 1  o 1325.700 32.07747 52209.58       2493.997 52209.58       2493.997 0.000000       0.000000 1325.700 32.07747 ?        ?        0.000000       32.07747 
1 1 1 -5  19 2  o 854.5034 14.92549 21472.53       747.9850 21472.53       747.9850 0.000000       0.000000 854.5034 14.92549 ?        ?        0.000000       14.92549 
1 1 1 -5  19 3  o 446.0004 15.62783 5858.513       408.1436 5858.513       408.1436 0.000000       0.000000 446.0004 15.62783 ?        ?        0.000000       15.62783 
1 1 1 -5  19 4  o 269.0746 19.51225 2144.723       305.8229 2144.723       305.8229 0.000000       0.000000 269.0746 19.51225 ?        ?        0.000000       19.51225 
1 1 1 -5  19 5  o 730.5444 10.74071 15674.16       460.1826 15357.47       552.9960 16387.35       829.8582 722.8617 13.04416 745.5187 18.99541 -22.65704      23.04291 
1 1 1 -5  19 6  o 245.7525 7.447608 1773.963       107.2170 1754.815       133.9391 1808.120       178.8903 244.3017 9.365599 247.7502 12.35076 -3.448547      15.50019 
1 1 1 -5  19 7  o 524.1890 9.815489 8068.408       301.7521 8221.192       430.5624 7920.928       423.0214 528.5859 13.90103 518.8348 13.91473 9.751099       19.66872 
1 1 1 -5  19 8  o 439.7060 8.022360 5674.938       206.8783 5699.074       313.2652 5656.271       275.4999 440.2015 12.14578 438.8183 10.70499 1.383270       16.19002 
1 1 1 -5  19 9  o 261.6075 7.523527 2010.333       115.3110 2017.500       159.4152 2002.467       166.9978 261.8694 10.40062 260.8448 10.94066 1.024597       15.09539 
1 1 1 -5  19 10 o 299.5307 7.321382 2633.297       128.6130 2508.771       176.1132 2775.603       188.2670 292.0518 10.29821 307.1944 10.46514 -15.14255      14.68238 
1 1 1 -5  19 11 o 763.9720 11.74759 17158.49       526.3525 17791.91       877.1882 16802.11       657.9683 776.2823 19.26738 755.4232 14.85129 20.85919       24.32679 
1 1 1 -5  19 12 o 239.7647 7.372844 1689.156       103.5510 1711.566       142.1865 1663.846       151.1067 241.1414 10.07614 237.6764 10.86922 3.464996       14.82122 
1 1 1 -5  19 13 o 262.5215 10.73295 2029.311       164.8988 2029.311       164.8988 0.000000       0.000000 262.5215 10.73295 ?        ?        0.000000       10.73295 
1 1 1 -5  19 14 o 424.0907 17.97493 5323.288       446.0570 0.000000       0.000000 5323.288       446.0570 ?        ?        424.0907 17.97493 0.000000       17.97493 
1 1 1 -5  19 15 o 225.7220 7.529790 1497.903       99.54029 1362.421       134.6314 1661.263       147.8358 214.9662 10.71263 237.4344 10.64366 -22.46817      15.10125 
1 1 1 -5  19 16 o 620.3057 10.13014 11316.20       368.5292 11282.89       572.6198 11339.76       481.5014 617.9003 15.81446 620.3116 13.23540 -2.411377      20.62215 
1 1 1 -5  19 17 o 446.7825 7.930595 5865.044       207.8033 6020.760       330.5731 5763.311       267.1968 451.8456 12.48658 442.5916 10.29384 9.254028       16.18264 
1 1 1 -5  19 18 o 349.3835 7.987224 3587.448       163.6623 3602.438       222.8536 3569.898       241.1326 349.6152 10.88198 347.8705 11.83643 1.744751       16.07852 
1 1 1 -5  19 19 o 211.1340 7.011427 1311.042       86.69863 1257.392       120.5102 1368.603       124.8243 206.4477 9.982805 215.4137 9.906940 -8.966034      14.06428 
1 1 1 -5  19 20 o 194.9442 7.296106 1118.372       83.26933 1167.058       117.1996 1068.742       118.3297 198.8328 10.08342 190.1756 10.65191 8.657196       14.66761 
1 1 1 -5  19 21 o 464.2880 7.465768 6336.667       203.2883 6350.416       291.9995 6323.736       283.1891 464.1866 10.72603 463.2757 10.42285 0.9109802      14.95605 
1 1 1 -5  19 22 o 115.6276 10.08661 396.9000       67.71620 488.9473       96.54668 307.7740       95.00233 127.9632 13.04710 100.4946 16.70535 27.46855       21.19660 
1 1 1 -5  19 23 o 390.3838 6.985959 4479.800       159.9441 4352.668       222.7053 4615.224       229.8544 384.2115 9.891700 395.6322 9.914093 -11.42068      14.00482 
1 1 1 -5  19 24 o 175.2977 7.924845 905.8326       81.26300 855.9359       115.3687 954.9659       114.4829 169.8665 11.65113 179.5863 10.92131 -9.719849      15.96947 
1 1 1 -5  19 25 o 150.2799 9.268206 667.6720       81.28846 600.3953       114.5447 735.9315       115.3783 141.7150 13.96307 157.2838 12.61372 -15.56876      18.81683 
1 1 1 -5  19 26 o 143.9929 9.940074 613.9261       83.42728 491.3194       120.5411 726.6542       115.5830 127.5440 16.50114 156.2696 12.72152 -28.72558      20.83566 
1 1 1 -5  19 27 o 206.0105 8.587630 1251.343       103.5285 1248.643       152.6585 1253.643       140.8734 205.1156 12.75339 205.7169 11.72493 -0.6013641     17.32406 
1 1 1 -5  19 28 o 384.8502 7.558279 4356.401       170.5946 4222.316       240.7985 4491.513       241.7184 378.1141 10.87005 390.0639 10.57607 -11.94980      15.16612 
1 1 1 -5  19 29 o 78.73898 17.75287 192.2523       80.01611 44.52399       126.2755 291.3668       103.4322 58.07391 23.62661 97.11147 18.84064 -39.03756      30.21897 
1 1 1 -5  19 30 o 67.01723 19.04101 138.2785       78.34381 138.7173       127.2836 138.0109       99.40438 70.91425 24.81751 68.21492 21.91319 2.699326       33.10735 
1 1 1 -5  19 31 o 145.4830 10.36337 628.6025       87.84373 739.9612       137.5446 551.8927       114.1581 156.8540 15.13986 135.3902 14.60799 21.46379       21.03827 
1 1 1 -5  19 32 o 344.5937 7.358665 3497.208       148.7157 3523.505       211.2572 3471.374       209.3868 344.9727 10.45389 342.4136 10.43891 2.559082       14.77344 
1 1 1 -5  19 33 o 130.5882 10.16435 507.5201       77.23290 505.7733       82.04237 521.1225       228.9382 130.2311 10.83990 125.7684 31.19141 4.462708       33.02132 
1 1 1 -5  19 34 o 193.2091 8.750471 1104.917       98.89646 1158.224       133.3999 1039.866       147.3615 197.1441 11.58886 186.1977 13.58811 10.94637       17.85885 
1 1 1 -5  19 35 o 186.8966 9.012877 1035.835       98.49933 1137.940       141.1843 939.0083       137.4874 194.9614 12.41219 176.7333 13.36362 18.22812       18.23866 
1 1 1 -5  19 36 o 53.51479 19.62024 73.93137       80.55586 129.8007       112.4425 15.01913       115.4640 66.76553 23.32863 51.57671 21.90625 15.18882       32.00170 
1 1 1 -5  19 37 o 320.6465 7.605969 3042.916       143.0315 3089.667       198.3674 2992.288       206.4273 321.5828 10.53206 316.1154 11.15198 5.467407       15.33919 
1 1 1 -5  19 38 o 235.5411 8.423822 1650.143       116.1787 1836.749       168.5012 1481.047       160.4010 246.9426 11.66773 221.3036 12.40825 25.63895       17.03234 
1 1 1 -5  19 39 o 98.05727 16.17792 303.4641       89.79475 454.5963       132.7820 176.1022       121.8935 118.6426 19.77900 73.50655 24.31046 45.13605       31.34019 
1 1 1 -5  19 40 o 84.04483 19.47262 232.4815       94.09812 216.7974       141.3172 244.9746       126.1246 79.79710 26.16562 84.56094 24.20340 -4.763840      35.64329 
1 1 1 -5  19 41 o 220.1669 8.833551 1451.755       113.8296 1573.152       163.3492 1337.156       158.7098 226.9950 12.31630 208.7367 13.02944 18.25830       17.92923 
1 1 1 -5  19 42 o 47.34383 19.92406 26.82421       94.07695 -49.59143      138.2113 92.79393       128.4177 48.17960 21.99629 60.65079 24.11923 -12.47119      32.64313 
1 1 1 -5  19 43 o 141.7295 12.54356 620.7236       103.1879 609.3029       152.1203 630.4576       140.4382 135.5967 19.70514 139.5787 17.54252 -3.981964      26.38243 
1 1 1 -5  19 44 o 98.63983 19.18030 326.5522       106.9612 377.3192       162.3240 287.5935       142.1981 100.3090 26.99985 88.23753 25.83312 12.07144       37.36766 
1 1 1 -5  19 45 o 38.81215 18.07183 -65.20537      100.0969 -122.4838      150.9437 -20.24558      133.7308 44.86063 21.28767 48.89114 22.04783 -4.030514      30.64754 
1 1 1 -5  19 46 o 91.63943 22.27148 299.7596       118.5088 329.8820       182.8889 277.9574       155.5938 90.11996 29.77700 84.64474 27.43543 5.475212       40.48917 
1 1 1 -5  19 47 o 66.32231 24.65516 150.0938       127.9679 412.4400       208.9294 -7.413579      161.8872 98.17017 31.78962 53.50564 24.18135 44.66454       39.94143 
1 1 1 -5  20 1  o 402.7487 14.79650 4777.697       348.9031 4777.697       348.9031 0.000000       0.000000 402.7487 14.79650 ?        ?        0.000000       14.79650 
1 1 1 -5  20 2  f 80.58747 31.69021 112.4171       219.4205 112.4171       219.4205 0.000000       0.000000 80.58747 31.69021 ?        ?        0.000000       31.69021 
1 1 1 -5  20 3  o 294.0155 7.149170 2536.791       123.2754 2457.911       150.1621 2699.843       215.8930 289.2151 8.863429 302.8594 12.17962 -13.64435      15.06331 
1 1 1 -5  20 4  o 599.1458 9.243070 10539.97       324.7874 10049.09       377.9968 11924.70       634.8663 584.8703 11.01991 636.0931 17.03343 -51.22284      20.28734 
1 1 1 -5  20 5  o 100.5541 16.79519 305.7311       95.55468 305.7311       95.55468 0.000000       0.000000 100.5541 16.79519 ?        ?        0.000000       16.79519 
1 1 1 -5  20 6  o 409.6246 7.542774 4924.809       181.2040 4979.042       230.8494 4837.759       292.4692 411.7600 9.559475 405.4948 12.31254 6.265137       15.58789 
1 1 1 -5  20 7  o 352.7223 7.974815 3652.183       164.9697 3534.139       215.3163 3819.976       256.7086 346.6714 10.60277 360.2736 12.16693 -13.60226      16.13855 
1 1 1 -5  20 8  o 360.0154 7.627129 3804.638       161.0396 3790.807       228.4393 3818.302       227.0557 359.0058 10.86222 360.3170 10.75681 -1.311279      15.28715 
1 1 1 -5  20 9  o 545.1036 9.094028 8726.908       290.7273 8963.652       464.6623 8574.611       372.6871 551.6150 14.37544 540.0408 11.76704 11.57422       18.57731 
1 1 1 -5  20 10 o 328.7296 9.576511 3177.374       184.4308 3223.238       206.5654 2997.117       409.5148 330.9903 10.65511 317.3835 22.13943 13.60681       24.57002 
1 1 1 -5  20 11 o 252.4600 9.135878 1874.793       135.0444 1923.940       150.0833 1665.768       309.5148 255.6717 10.02865 235.9900 22.64078 19.68169       24.76245 
1 1 1 -5  20 12 o 267.0003 19.61833 2120.183       305.0572 0.000000       0.000000 2120.183       305.0572 ?        ?        267.0003 19.61833 0.000000       19.61833 
1 1 1 -5  20 13 o 680.7205 14.00109 13655.04       558.9606 13902.88       697.9374 13211.74       933.4184 685.7507 17.36798 666.0375 23.93502 19.71313       29.57249 
1 1 1 -5  20 14 o 469.9254 18.88848 6549.204       519.5060 0.000000       0.000000 6549.204       519.5060 ?        ?        469.9254 18.88848 0.000000       18.88848 
1 1 1 -5  20 15 f 378.1545 17.07175 4238.383       377.6387 0.000000       0.000000 4238.383       377.6387 ?        ?        378.1545 17.07175 0.000000       17.07175 
1 1 1 -5  20 16 o 204.1136 7.588641 1225.693       90.68380 1275.723       125.7463 1171.477       130.9016 207.9581 10.34270 199.1464 11.25363 8.811737       15.28449 
1 1 1 -5  20 17 f 182.0241 8.319929 976.0042       88.58275 1032.508       125.0007 919.0020       125.5509 186.8598 11.46148 176.1424 12.22955 10.71733       16.76089 
1 1 1 -5  20 18 o 164.7755 8.503219 800.4931       81.89453 743.7591       113.2019 862.7887       118.6208 158.3323 12.28694 170.6543 11.92712 -12.32202      17.12382 
1 1 1 -5  20 19 o 187.2969 7.543320 1032.768       82.69023 957.7728       113.6608 1117.093       120.5241 179.9701 10.81856 194.4415 10.60920 -14.47134      15.15244 
1 1 1 -5  20 20 o 456.6527 7.458467 6130.165       199.7497 6096.934       284.0948 6162.655       280.9095 454.8270 10.65042 457.3098 10.47383 -2.482758      14.93762 
1 1 1 -5  20 21 o 398.2347 6.903379 4661.123       161.2320 4705.737       231.5795 4619.153       224.6131 399.6584 9.880085 396.0031 9.671323 3.655243       13.82572 
1 1 1 -5  20 22 o 202.0341 7.376172 1201.773       87.25223 1258.669       123.1838 1144.488       123.6038 206.3936 10.20837 196.7017 10.75546 9.691956       14.82872 
1 1 1 -5  20 23 o 46.39475 17.97020 41.52842       69.69617 30.33285       98.58559 52.71475       98.54494 50.97767 20.82461 54.09649 21.24820 -3.118820      29.75148 
1 1 1 -5  20 24 o 260.1435 6.905073 1990.749       105.2562 1984.213       147.6316 1997.507       150.1088 259.3148 9.724596 260.1613 9.855964 -0.8464966     13.84586 
1 1 1 -5  20 25 o 177.3365 8.960968 928.2992       92.89533 814.2296       132.3729 1038.989       130.3970 165.2768 13.78174 187.1797 11.94068 -21.90288      18.23502 
1 1 1 -5  20 26 o 122.7770 12.50789 450.0518       88.80776 459.6867       137.0876 443.0843       116.5769 122.5386 19.74641 120.9309 16.89777 1.607704       25.98952 
1 1 1 -5  20 27 o 36.47002 16.82693 -65.10693      83.84663 -124.1271      125.3730 -17.34901      112.7785 42.52533 19.93893 48.50585 21.13181 -5.980522      29.05365 
1 1 1 -5  20 28 f 250.3053 7.844920 1845.482       115.0198 1887.773       168.5650 1808.635       157.3397 252.5342 11.41090 247.2804 10.87581 5.253754       15.76363 
1 1 1 -5  20 29 o 208.9716 8.439711 1288.365       103.2217 1154.913       149.3404 1410.438       142.8321 196.9945 12.99891 218.1723 11.20035 -21.17776      17.15866 
1 1 1 -5  20 30 f 248.6619 7.753133 1822.663       112.9291 1865.332       164.4523 1784.588       155.3481 250.8525 11.20647 245.4428 10.81866 5.409714       15.57653 
1 1 1 -5  20 31 o 228.0264 8.132986 1534.578       108.5900 1577.219       158.8952 1497.210       148.7456 230.3673 11.80019 224.5506 11.33145 5.816696       16.35989 
1 1 1 -5  20 32 o 42.56422 17.83235 11.40086       74.83674 -145.9215      122.1513 105.9342       94.68813 40.09231 19.06091 61.65649 21.41629 -21.56419      28.67012 
1 1 1 -5  20 33 o 117.2609 11.40250 411.7633       77.42680 420.8623       81.47617 326.9907       248.6925 118.4556 11.88856 101.7905 34.73335 16.66512       36.71162 
1 1 1 -5  20 34 o 154.9386 10.06836 714.3972       90.99352 632.4453       96.43684 1379.481       274.7271 145.4348 11.39738 210.2521 22.63597 -64.81729      25.34339 
1 1 1 -5  20 35 o 44.76860 20.28535 -53.96962      114.8083 0.000000       0.000000 -53.96962      114.8083 ?        ?        44.76860 20.28535 0.000000       20.28535 
1 1 1 -5  20 36 o 63.87744 19.57880 127.8361       80.28250 230.5775       116.5161 34.97068       110.7746 83.94707 22.99321 52.78580 21.87106 31.16127       31.73375 
1 1 1 -5  20 37 o 193.8759 8.808423 1119.533       99.89333 1183.989       137.4284 1047.328       145.4540 198.1530 11.88021 185.6007 13.45408 12.55222       17.94858 
1 1 1 -5  20 38 o 267.1952 7.725379 2119.886       120.9324 2168.853       167.0669 2065.989       175.2769 268.7889 10.61901 261.8400 11.44163 6.948975       15.61007 
1 1 1 -5  20 39 o 57.01965 20.84109 91.33537       90.78596 272.5572       131.7462 -72.53209      125.2792 89.22656 24.45407 44.63414 20.58470 44.59243       31.96453 
1 1 1 -5  20 40 o 110.4114 14.57400 381.1451       92.06973 265.3708       129.2705 500.3336       131.1627 87.49304 24.31879 124.5584 18.51752 -37.06539      30.56636 
1 1 1 -5  20 41 o 174.3093 10.20843 918.3941       103.9022 936.5390       149.9879 901.6526       144.0706 173.1574 14.91466 170.1105 14.58139 3.046906       20.85819 
1 1 1 -5  20 42 o 110.3463 15.46060 387.1033       97.31242 430.1437       146.5712 353.1762       130.1319 111.4384 23.18256 101.1477 22.51620 10.29076       32.31734 
1 1 1 -5  20 43 o 135.5506 13.46089 573.7618       105.5980 623.5936       155.5028 531.1169       143.8530 136.6617 19.99320 125.8442 20.17230 10.81752       28.40158 
1 1 1 -5  20 44 o 94.23923 19.96903 302.9001       106.9324 265.8351       153.5750 337.7804       148.9801 83.88251 27.26208 95.25942 25.96251 -11.37691      37.64669 
1 1 1 -5  20 45 o 61.52002 22.71773 121.3261       108.3185 229.7507       164.0593 37.53706       144.2218 78.06523 28.08929 55.26570 23.98855 22.79953       36.93858 
1 1 1 -5  20 46 o 49.87247 21.93591 12.70672       124.1215 -41.88790      199.4585 47.20949       158.5640 55.94805 25.86326 57.53820 25.06195 -1.590157      36.01402 
1 1 1 -5  20 47 o 108.0515 21.57509 412.3470       131.9306 523.8552       214.5468 344.5427       167.3006 111.1122 31.49011 92.57791 28.24185 18.53430       42.29928 
1 1 1 -5  21 1  o 771.4437 19.61143 17577.70       886.5674 17577.70       886.5674 0.000000       0.000000 771.4437 19.61143 ?        ?        0.000000       19.61143 
1 1 1 -5  21 2  f 295.0784 15.39162 2570.627       265.4412 2570.627       265.4412 0.000000       0.000000 295.0784 15.39162 ?        ?        0.000000       15.39162 
1 1 1 -5  21 3  o 471.4210 7.835882 6523.917       216.6443 6200.866       251.7568 7445.823       425.2936 459.4962 9.342193 502.7734 14.43830 -43.27728      17.19712 
1 1 1 -5  21 4  o 147.3476 29.57838 668.9320       246.7131 668.9320       246.7131 0.000000       0.000000 147.3476 29.57838 ?        ?        0.000000       29.57838 
1 1 1 -5  21 5  o 313.9392 7.264061 2892.947       133.7444 2904.551       166.7364 2872.010       223.9719 314.3527 9.053473 312.2788 12.25305 2.073914       15.23492 
1 1 1 -5  21 6  o 90.08816 18.07093 247.9371       92.15245 247.9371       92.15245 0.000000       0.000000 90.08816 18.07093 ?        ?        0.000000       18.07093 
1 1 1 -5  21 7  o 202.7869 7.748073 1209.087       91.97809 1245.367       115.0572 1144.854       153.0968 205.6701 9.564965 196.7892 13.34414 8.880875       16.41812 
1 1 1 -5  21 8  o 726.6705 12.76411 15537.90       543.9744 15577.53       767.1395 15497.81       771.4708 726.3602 18.00826 724.2300 18.17757 2.130188       25.58753 
1 1 1 -5  21 9  o 586.2205 9.634623 10098.20       331.2426 10294.16       525.6230 9969.101       426.6169 590.7817 15.18297 582.0496 12.49762 8.732056       19.66503 
1 1 1 -5  21 10 o 188.2196 8.094196 1042.371       89.14005 1009.121       114.5758 1093.358       141.8833 184.9596 10.60695 192.3198 12.64953 -7.360199      16.50812 
1 1 1 -5  21 11 o 118.7651 11.52827 418.8741       79.28888 385.6703       101.3372 471.2892       127.3219 113.2775 15.67315 125.0400 17.86977 -11.76254      23.76923 
1 1 1 -5  21 12 o 363.1430 18.97822 3915.378       402.7855 0.000000       0.000000 3915.378       402.7855 ?        ?        363.1430 18.97822 0.000000       18.97822 
1 1 1 -5  21 13 o 574.2741 12.56371 9715.808       423.1435 10506.35       550.8407 8577.738       660.9173 596.1822 15.76805 536.9588 21.02791 59.22339       26.28316 
1 1 1 -5  21 14 o 126.2425 30.69745 499.9452       225.0513 0.000000       0.000000 499.9452       225.0513 ?        ?        126.2425 30.69745 0.000000       30.69745 
1 1 1 -5  21 15 o 76.67150 21.38632 180.1938       99.78286 180.1938       99.78286 0.000000       0.000000 76.67150 21.38632 ?        ?        0.000000       21.38632 
1 1 1 -5  21 16 o 246.7102 7.404432 1790.067       107.0133 1755.609       149.6373 1826.139       153.1014 243.9617 10.48292 248.8181 10.51543 -4.856430      14.84809 
1 1 1 -5  21 17 o 437.6217 8.024086 5630.261       205.9420 5808.280       323.6761 5509.176       266.9458 443.5173 12.45603 432.4928 10.52431 11.02451       16.30687 
1 1 1 -5  21 18 o 404.2495 7.510397 4803.502       178.0586 4870.430       278.3439 4757.141       231.6605 406.2000 11.69617 401.9523 9.827137 4.247711       15.27655 
1 1 1 -5  21 19 o 434.3088 7.937212 5547.135       202.1702 5583.500       313.5879 5521.270       264.4699 434.6810 12.31334 432.8453 10.41821 1.835724       16.12940 
1 1 1 -5  21 20 o 165.0471 8.526387 803.7280       82.25246 768.6107       118.4795 836.3995       114.2793 160.7876 12.66657 167.9354 11.67583 -7.147781      17.22693 
1 1 1 -5  21 21 o 566.0640 8.584185 9431.099       284.9805 9331.633       402.5403 9531.043       403.5080 562.0067 12.21286 568.0145 12.11273 -6.007751      17.20094 
1 1 1 -5  21 22 o 225.3552 7.368192 1494.956       97.25119 1516.523       137.8144 1473.563       137.2552 226.5475 10.40028 223.2907 10.51061 3.256790       14.78644 
1 1 1 -5  21 23 o 86.21145 15.74533 227.3846       76.67734 205.0662       108.3469 249.7782       108.5296 81.27037 22.13687 89.53804 21.02831 -8.267670      30.53246 
1 1 1 -5  21 24 o 31.38957 14.97566 -101.0573      76.76065 -125.2797      113.5612 -80.67969      104.1591 39.63723 18.70598 40.60038 18.74052 -0.9631424     26.47868 
1 1 1 -5  21 25 o 287.0594 7.578962 2425.133       127.4829 2432.189       180.8356 2418.161       179.7455 286.9514 10.76454 286.1281 10.73043 0.8233337      15.19926 
1 1 1 -5  21 26 o 76.50983 19.63961 181.7295       88.56612 32.24202       135.6701 292.7433       116.9149 58.46455 24.21231 96.97845 21.15310 -38.51390      32.15105 
1 1 1 -5  21 27 o 55.97033 20.35237 78.11383       86.41753 -113.9888      131.3103 224.8869       114.7771 44.54338 20.72633 84.86077 22.64282 -40.31739      30.69655 
1 1 1 -5  21 28 o 44.90499 18.66658 15.77477       81.06320 -35.78195      125.9155 52.26886       105.9370 49.51444 21.92216 55.28125 21.93157 -5.766811      31.00927 
1 1 1 -5  21 29 o 335.5861 7.632670 3315.776       150.2211 3209.297       209.7577 3427.892       215.2377 329.2947 10.87624 340.3589 10.79644 -11.06412      15.32500 
1 1 1 -5  21 30 o 239.0059 7.965775 1685.173       111.5013 1550.459       159.0402 1815.396       156.3671 228.3883 11.91481 247.4681 10.79997 -19.07979      16.08111 
1 1 1 -5  21 31 o 63.50759 19.54025 122.5360       79.87130 26.78699       121.3426 195.7359       106.0966 54.69152 22.79473 78.90732 22.06816 -24.21579      31.72701 
1 1 1 -5  21 32 o 52.62125 19.39155 68.16769       78.85247 258.6993       122.1689 -67.88369      103.2354 90.09721 23.03435 41.13363 18.86611 48.96358       29.77434 
1 1 1 -5  21 33 o 224.3094 8.225928 1487.598       108.0306 1509.235       154.7701 1467.041       150.8615 224.9795 11.77082 221.8459 11.63584 3.133636       16.55128 
1 1 1 -5  21 34 o 233.9483 7.483305 1617.167       102.5427 1646.445       109.7405 1415.684       287.8825 235.9465 7.941861 211.8457 23.56961 24.10077       24.87167 
1 1 1 -5  21 35 o 50.50233 20.59770 37.78188       96.26227 29.86854       103.9057 85.71018       255.7144 50.94998 21.15257 77.18687 32.68417 -26.23689      38.93181 
1 1 1 -5  21 36 o 135.4495 10.78935 551.8579       85.00052 586.9960       119.7314 516.1536       120.6921 138.1481 15.01936 128.9065 16.33035 9.241638       22.18696 
1 1 1 -5  21 37 o 82.89346 18.03169 221.1556       85.16111 218.0651       122.7756 224.0212       118.2253 80.81748 24.09383 81.91777 23.42882 -1.100288      33.60688 
1 1 1 -5  21 38 o 249.4563 7.972401 1850.748       116.4866 1913.204       161.3569 1782.769       168.3387 252.0850 10.94020 242.7722 11.85907 9.312790       16.13461 
1 1 1 -5  21 39 o 109.7588 14.03321 374.3921       88.26948 358.1029       121.3168 392.7161       128.6714 104.1150 20.59784 108.9848 20.89106 -4.869835      29.33781 
1 1 1 -5  21 40 o 234.3209 8.683519 1643.604       119.1257 1788.715       171.1660 1507.291       165.8959 242.1707 12.08985 221.7325 12.81177 20.43822       17.61550 
1 1 1 -5  21 41 f 88.05396 18.70847 256.8293       93.62997 319.0240       136.2354 201.1563       128.8949 95.04953 24.33692 76.05146 24.99193 18.99807       34.88384 
1 1 1 -5  21 42 o 45.72800 19.63552 14.99132       94.60151 38.79905       141.0867 -4.456102      127.5140 55.79980 23.97011 49.68611 22.02630 6.113686       32.55340 
1 1 1 -5  21 43 o 142.9539 13.26683 638.0322       109.9587 704.4650       166.2294 586.3482       146.6203 144.9197 20.09854 132.6013 19.42999 12.31844       27.95489 
1 1 1 -5  21 44 o 38.29832 17.89728 -70.20450      99.61476 -190.2169      149.3033 26.08104       133.7325 41.06423 19.91441 52.94324 23.03888 -11.87901      30.45281 
1 1 1 -5  21 45 o 96.53203 21.16133 326.3247       116.4911 448.7618       180.4721 238.8777       152.5197 106.9226 28.33039 79.11819 27.19462 27.80444       39.27032 
1 1 1 -5  21 46 o 107.5412 21.62302 406.9496       131.6443 401.6652       203.3447 410.7625       172.7266 97.27263 31.35021 102.0783 28.00982 -4.805649      42.04029 
1 1 1 -5  22 1  o 832.4548 20.87298 20516.05       1018.247 20516.05       1018.247 0.000000       0.000000 832.4548 20.87298 ?        ?        0.000000       20.87298 
1 1 1 -5  22 2  o 512.4257 10.07450 7716.116       302.7645 7716.116       302.7645 0.000000       0.000000 512.4257 10.07450 ?        ?        0.000000       10.07450 
1 1 1 -5  22 3  o 654.3777 16.48128 12636.69       632.0103 12636.69       632.0103 0.000000       0.000000 654.3777 16.48128 ?        ?        0.000000       16.48128 
1 1 1 -5  22 4  o 268.5377 8.530935 2120.065       134.1841 2120.065       134.1841 0.000000       0.000000 268.5377 8.530935 ?        ?        0.000000       8.530935 
1 1 1 -5  22 5  o 321.1371 6.976688 3027.410       131.3985 2867.108       155.1656 3433.779       247.0510 312.3244 8.478929 341.3963 12.35932 -29.07187      14.98817 
1 1 1 -5  22 6  o 504.0173 8.202478 7460.748       242.4605 7630.681       308.3812 7185.636       392.3781 509.4957 10.32041 493.7933 13.56190 15.70239       17.04218 
1 1 1 -5  22 7  o 259.5599 7.041583 1979.375       107.0920 2009.522       133.2437 1924.365       179.9885 261.3993 8.703574 255.4496 12.04799 5.949738       14.86292 
1 1 1 -5  22 8  o 242.9167 7.575654 1734.521       107.7945 1776.540       141.3485 1676.116       166.6447 245.6446 9.831319 238.3557 11.95928 7.288834       15.48158 
1 1 1 -5  22 9  f 301.1830 7.132051 2663.584       125.9782 2657.165       176.3607 2670.273       180.0158 300.4572 10.02252 301.1773 10.20624 -0.7201538     14.30448 
1 1 1 -5  22 10 o 281.6429 23.10213 2376.051       378.2429 0.000000       0.000000 2376.051       378.2429 ?        ?        281.6429 23.10213 0.000000       23.10213 
1 1 1 -5  22 11 o 318.5587 20.94872 3027.393       389.2068 0.000000       0.000000 3027.393       389.2068 ?        ?        318.5587 20.94872 0.000000       20.94872 
1 1 1 -5  22 12 o 98.91368 36.03570 251.6166       271.0974 0.000000       0.000000 251.6166       271.0974 ?        ?        98.91368 36.03570 0.000000       36.03570 
1 1 1 -5  22 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  22 14 o 265.5758 19.73723 2108.776       305.2175 0.000000       0.000000 2108.776       305.2175 ?        ?        265.5758 19.73723 0.000000       19.73723 
1 1 1 -5  22 15 o 333.8794 7.288434 3275.641       142.7166 3126.326       203.1048 3421.271       200.5824 325.6286 10.64956 340.7581 10.04779 -15.12958      14.64142 
1 1 1 -5  22 16 o 608.5366 10.07633 10904.68       359.6165 10941.97       560.0613 10878.52       469.0942 607.5569 15.73126 606.9055 13.17918 0.6513672      20.52227 
1 1 1 -5  22 17 o 239.1713 7.481861 1683.172       104.8177 1587.056       144.5683 1789.698       152.1949 231.8201 10.66193 246.2198 10.56423 -14.39966      15.00933 
1 1 1 -5  22 18 o 215.3154 7.680924 1364.976       96.83734 1296.443       138.2912 1430.911       135.6446 209.3349 11.30621 220.0759 10.54008 -10.74101      15.45715 
1 1 1 -5  22 19 o 455.0843 8.070626 6092.474       215.4019 6252.738       343.7435 5988.854       276.4000 459.7585 12.76070 450.7095 10.45661 9.048950       16.49776 
1 1 1 -5  22 20 o 227.2067 7.647339 1520.004       101.7566 1300.523       140.4109 1762.780       147.6749 209.5857 11.46691 244.3026 10.33022 -34.71687      15.43384 
1 1 1 -5  22 21 o 214.5473 7.887745 1355.943       99.08012 1341.441       139.8109 1370.574       140.4320 212.8982 11.23723 215.2166 11.16419 -2.318359      15.84027 
1 1 1 -5  22 22 o 219.5561 7.960137 1420.014       102.3286 1481.023       144.1338 1358.012       145.3024 223.7697 11.01669 214.1481 11.61277 9.621643       16.00699 
1 1 1 -5  22 23 o 154.7651 10.19596 709.1121       92.02927 664.0438       130.0203 754.3594       130.2781 148.8821 15.09939 158.9762 14.11969 -10.09413      20.67262 
1 1 1 -5  22 24 o 156.7500 10.49578 727.7438       95.93182 810.8734       139.6831 653.5296       131.9805 164.7697 14.60609 147.6086 15.47551 17.16116       21.27979 
1 1 1 -5  22 25 o 53.66670 20.10595 65.51557       85.42956 18.17167       128.0747 103.4649       114.6657 55.48849 23.29292 64.26957 23.43287 -8.781078      33.04028 
1 1 1 -5  22 26 o 180.4657 9.585941 962.6567       101.0926 904.8470       144.3158 1018.354       141.6543 174.0973 14.25902 184.9969 13.14170 -10.89960      19.39134 
1 1 1 -5  22 27 o 294.9397 7.746398 2562.136       133.8775 2577.721       192.5537 2547.552       186.2655 295.1440 11.14418 293.4807 10.84050 1.663239       15.54700 
1 1 1 -5  22 28 o 240.3923 8.129500 1704.205       114.4484 1685.720       163.6684 1721.894       160.0994 238.3530 11.74446 240.9933 11.35948 -2.640320      16.33922 
1 1 1 -5  22 29 o 145.3369 10.82189 628.3400       91.58009 502.5084       139.1052 724.6008       121.6671 127.8312 19.14305 155.5557 13.46892 -27.72453      23.40658 
1 1 1 -5  22 30 o 50.80151 19.58893 53.40505       82.54553 79.33305       131.5871 36.58185       105.9945 62.80303 24.58746 52.93006 21.60403 9.872971       32.73037 
1 1 1 -5  22 31 o 35.52244 16.41507 -62.09443      80.24018 39.98750       123.9740 -135.6862      105.2618 56.62941 23.26765 36.62621 17.49132 20.00320       29.10893 
1 1 1 -5  22 32 o 151.1037 10.78140 680.6286       94.91566 616.4106       138.0513 738.1993       130.7113 142.0585 16.90096 156.4261 14.40982 -14.36758      22.21003 
1 1 1 -5  22 33 o 184.7035 9.296019 1012.740       100.3747 907.0378       144.6682 1110.858       139.3818 173.2926 14.36343 192.5701 12.40749 -19.27747      18.98036 
1 1 1 -5  22 34 f 212.0903 7.360745 1330.439       91.41855 1344.486       97.25713 1223.873       267.8825 213.0979 7.795146 195.7043 23.83032 17.39357       25.07286 
1 1 1 -5  22 35 o 96.95583 13.74318 289.2062       75.95947 268.9635       79.13386 526.4418       270.9055 93.02605 15.01586 119.7113 35.81377 -26.68525      38.83429 
1 1 1 -5  22 36 o 116.3757 31.70801 487.8609       222.2543 299.9792       403.9737 569.4160       266.1561 99.06957 41.46317 123.4326 35.10454 -24.36300      54.32792 
1 1 1 -5  22 37 o 89.09353 16.45996 252.1619       82.83797 322.1178       119.3829 187.2042       115.0390 98.79846 21.23588 75.22143 23.50183 23.57703       31.67490 
1 1 1 -5  22 38 o 138.3165 11.37344 580.7437       91.44627 548.0911       127.7684 615.0371       130.9390 131.6942 16.93418 139.9832 16.25101 -8.289017      23.47044 
1 1 1 -5  22 39 o 203.1743 9.229777 1238.793       109.6920 1249.315       150.9480 1227.019       159.6753 201.9230 12.81258 199.4739 13.73281 2.449173       18.78170 
1 1 1 -5  22 40 o 47.84255 19.57017 39.82222       87.21065 93.40792       125.2921 -10.54067      121.4659 60.44485 23.89194 48.46416 21.49040 11.98069       32.13506 
1 1 1 -5  22 41 o 40.55017 18.31396 -30.08697      92.67494 -5.786654      141.3331 -48.41644      122.7476 51.95308 23.10126 45.21170 20.67468 6.741386       31.00179 
1 1 1 -5  22 42 o 55.25002 21.07974 85.11256       94.90279 125.9780       140.9152 51.19214       128.3840 65.07787 25.45401 55.12238 23.24067 9.955482       34.46789 
1 1 1 -5  22 43 o 56.13014 21.99102 85.07273       105.3275 200.3065       163.1166 2.665760       137.9400 74.79228 27.82981 51.52103 22.87064 23.27126       36.02172 
1 1 1 -5  22 44 o 62.24429 23.14500 124.7880       112.7850 156.2395       171.3100 100.7256       149.8413 69.43922 27.77652 62.06533 25.54897 7.373882       37.73970 
1 1 1 -5  22 45 o 41.35440 19.39429 -79.94891      118.7315 -102.5752      181.9236 -63.16040      156.7072 50.27975 23.71252 48.97284 22.73785 1.306911       32.85260 
1 1 1 -5  23 1  o 49.09031 18.46759 52.30059       72.23331 4.297165       82.16467 215.6424       151.5646 43.90248 18.55550 85.51987 27.01212 -41.61739      32.77135 
1 1 1 -5  23 2  o 180.1942 7.977006 955.5055       84.09179 912.5575       97.34190 1081.837       166.9494 175.9602 9.467534 190.9603 15.02805 -15.00003      17.76166 
1 1 1 -5  23 3  o 378.5303 6.976325 4206.825       154.8738 4097.800       184.9457 4462.725       283.3460 373.4867 8.443424 389.1589 12.43074 -15.67218      15.02713 
1 1 1 -5  23 4  o 125.5957 12.79820 469.2639       92.95435 469.2639       92.95435 0.000000       0.000000 125.5957 12.79820 ?        ?        0.000000       12.79820 
1 1 1 -5  23 5  o 762.8792 11.01010 17120.88       492.6038 17749.91       632.4242 16150.52       785.4874 776.0303 13.89566 738.9230 18.12548 37.10730       22.83906 
1 1 1 -5  23 6  o 294.2997 8.532344 2547.007       147.1126 2547.007       147.1126 0.000000       0.000000 294.2997 8.532344 ?        ?        0.000000       8.532344 
1 1 1 -5  23 7  o 277.4031 7.095490 2261.259       115.3420 2345.269       146.2944 2123.250       187.5078 282.3511 8.845528 268.2760 11.94752 14.07510       14.86562 
1 1 1 -5  23 8  o 245.3049 7.004690 1768.568       100.6702 1864.096       128.3391 1615.782       162.3068 251.6949 8.707407 233.9476 11.86831 17.74731       14.71991 
1 1 1 -5  23 9  o 620.3918 12.98865 11346.15       472.5856 11242.48       563.4820 11591.99       867.7469 616.6421 15.59355 622.7883 23.80138 -6.146240      28.45460 
1 1 1 -5  23 10 o 248.3089 9.672042 1816.359       140.5819 1919.962       153.8325 1291.508       346.2425 255.2258 10.29830 204.9715 29.66442 50.25433       31.40116 
1 1 1 -5  23 11 o 229.6894 7.680720 1551.967       103.3195 1418.498       133.0880 1754.421       163.9125 219.2833 10.37807 243.7681 11.49768 -24.48482      15.48874 
1 1 1 -5  23 12 o 343.2252 19.76447 3515.410       396.1635 0.000000       0.000000 3515.410       396.1635 ?        ?        343.2252 19.76447 0.000000       19.76447 
1 1 1 -5  23 13 o 143.3831 12.81288 611.4399       106.6103 531.5042       115.1762 1089.662       281.7129 133.2309 15.00073 188.6299 26.16904 -55.39894      30.16357 
1 1 1 -5  23 14 o 398.4208 9.894479 4673.537       231.1987 4646.026       268.4547 4752.534       454.9082 396.7940 11.54829 399.0260 19.49795 -2.232025      22.66127 
1 1 1 -5  23 15 o 334.3073 10.37938 3295.656       203.2551 0.000000       0.000000 3295.656       203.2551 ?        ?        334.3073 10.37938 0.000000       10.37938 
1 1 1 -5  23 16 o 386.6969 9.721310 4406.767       220.2934 4572.475       269.9122 4076.151       381.2518 393.4677 11.70972 369.7915 17.63020 23.67621       21.16462 
1 1 1 -5  23 17 o 212.3268 7.978125 1327.919       99.17059 1214.407       135.9190 1457.142       145.0198 202.5383 11.48966 221.9699 11.17589 -19.43159      16.02851 
1 1 1 -5  23 18 o 458.2231 8.306557 6178.300       223.2279 6443.193       357.4323 6008.914       285.8235 466.5821 13.07506 451.3636 10.79744 15.21844       16.95706 
1 1 1 -5  23 19 o 124.9967 12.24794 466.0018       88.63545 455.2027       119.6399 479.1403       131.9632 122.5480 17.11232 125.4617 18.48815 -2.913658      25.19213 
1 1 1 -5  23 20 o 300.0215 7.334611 2646.885       129.0565 2601.088       187.9956 2687.704       177.4847 296.7362 10.82068 301.7951 10.04161 -5.058929      14.76215 
1 1 1 -5  23 21 o 148.4209 10.74322 653.1425       92.88180 672.8024       128.6307 631.7244       134.2594 149.9207 14.82342 144.9656 16.06083 4.955124       21.85598 
1 1 1 -5  23 22 o 450.6844 8.411510 5977.691       222.3295 5599.826       318.5913 6336.401       310.4109 435.0867 12.49850 463.3053 11.42403 -28.21860      16.93283 
1 1 1 -5  23 23 o 287.9088 8.036342 2440.646       135.5623 2359.166       198.0372 2512.491       185.9602 282.3510 11.98660 291.6251 10.89202 -9.274078      16.19613 
1 1 1 -5  23 24 o 34.16446 16.17203 -100.3435      86.08353 -185.6943      124.1488 -21.30847      119.4671 38.48285 18.53871 49.59173 21.67440 -11.10889      28.52128 
1 1 1 -5  23 25 o 239.6179 8.079310 1691.865       113.3764 1684.380       164.1413 1698.695       156.7881 238.4400 11.77426 239.5715 11.18997 -1.131485      16.24342 
1 1 1 -5  23 26 o 449.9246 8.062640 5960.204       212.7490 5578.372       286.3470 6430.701       317.8596 434.3004 11.25169 466.3298 11.62229 -32.02945      16.17647 
1 1 1 -5  23 27 o 76.55773 19.77374 183.0386       89.40263 -115.7489      133.3816 426.7822       120.4707 44.76059 20.84816 118.0879 17.96025 -73.32727      27.51756 
1 1 1 -5  23 28 o 61.43995 20.47267 109.0660       86.40550 198.7834       131.6612 41.19290       114.5165 80.39951 25.14589 55.23056 22.48852 25.16896       33.73499 
1 1 1 -5  23 29 o 181.6830 9.474913 977.7461       100.6090 849.6022       145.8323 1094.131       138.9800 168.0346 14.95411 191.5479 12.43884 -23.51329      19.45122 
1 1 1 -5  23 30 o 38.78495 17.39280 -34.16207      81.92480 117.1033       126.2871 -144.0755      107.6502 67.10051 24.57176 36.69654 17.56918 30.40397       30.20675 
1 1 1 -5  23 31 o 163.0251 10.40038 790.7321       98.91989 830.0142       146.7935 758.0555       133.8838 165.6947 15.27786 158.5113 14.56449 7.183395       21.10776 
1 1 1 -5  23 32 o 123.8028 12.47707 461.6387       89.35826 355.2843       134.5429 545.5804       119.5286 105.3589 22.46071 133.7885 15.52129 -28.42957      27.30190 
1 1 1 -5  23 33 o 43.38179 18.14889 15.11910       77.34947 110.4280       117.5725 -57.61079      102.7059 64.29748 23.68142 41.56164 18.96980 22.73584       30.34243 
1 1 1 -5  23 34 o 136.1469 9.624978 554.1096       76.35713 564.3241       79.72476 440.8071       265.5244 137.3080 9.968151 110.5570 35.84043 26.75092       37.20081 
1 1 1 -5  23 35 o 131.4211 9.966926 518.3531       76.24765 483.3911       79.91935 872.8350       254.4779 126.6107 10.86798 159.9959 28.14733 -33.38526      30.17259 
1 1 1 -5  23 36 o 213.5419 7.971416 1356.006       99.65659 1383.420       106.7436 1169.874       278.1388 215.5034 8.462179 186.2922 26.17881 29.21120       27.51252 
1 1 1 -5  23 37 o 116.1638 12.85072 414.2553       86.08636 503.0525       114.8084 300.2083       130.1116 126.7846 15.78097 93.93465 23.63968 32.84994       28.42312 
1 1 1 -5  23 38 o 176.8485 9.390588 939.1881       97.04764 1005.856       134.6849 867.1960       139.9592 181.2707 12.75029 167.2820 14.40618 13.98865       19.23819 
1 1 1 -5  23 39 o 50.42287 20.18266 53.50513       90.50407 175.6857       128.9332 -65.17190      127.0712 72.36592 24.99822 45.03208 20.75499 27.33384       32.49124 
1 1 1 -5  23 40 o 94.27470 17.46887 290.0547       93.02928 338.4133       137.6702 249.4166       126.2030 97.90746 24.13263 83.92139 24.27027 13.98607       34.22615 
1 1 1 -5  23 41 o 49.79723 20.32685 48.52863       93.84121 14.97100       133.2090 81.58965       132.2196 52.28264 22.86793 59.08740 24.12459 -6.804760      33.24061 
1 1 1 -5  23 42 o 70.38225 22.35520 172.7878       103.6820 69.58853       155.5204 255.3524       139.1059 59.96754 25.44503 83.02296 25.82876 -23.05543      36.25706 
1 1 1 -5  23 43 o 88.36641 20.77499 271.4643       105.8408 375.9143       154.9337 180.0677       144.9295 100.1092 26.11854 71.51603 26.30070 28.59314       37.06623 
1 1 1 -5  23 44 o 59.52043 23.16863 105.2611       116.2945 24.80131       175.5591 168.1736       155.2394 57.67160 25.68914 69.80183 26.87722 -12.13022      37.17953 
1 1 1 -5  23 45 o 77.45598 24.73032 224.0321       126.7494 266.9930       199.6268 195.0150       164.0624 81.13758 30.66194 72.90476 27.73987 8.232819       41.34798 
1 1 1 -5  24 1  o 465.4888 14.08233 6396.908       384.0031 6396.908       384.0031 0.000000       0.000000 465.4888 14.08233 ?        ?        0.000000       14.08233 
1 1 1 -5  24 2  o 526.6084 10.41541 8158.305       321.6731 7462.075       416.2681 9190.336       506.8074 502.7605 14.13164 557.6191 15.51233 -54.85867      20.98417 
1 1 1 -5  24 3  o 269.7341 8.391716 2140.098       132.5893 2140.098       132.5893 0.000000       0.000000 269.7341 8.391716 ?        ?        0.000000       8.391716 
1 1 1 -5  24 4  o 444.0273 7.485633 5791.490       194.9345 5714.690       235.2979 5959.545       348.0659 440.8916 9.099882 449.4112 13.22024 -8.519562      16.04938 
1 1 1 -5  24 5  o 358.4317 8.698168 3776.356       182.8457 3776.356       182.8457 0.000000       0.000000 358.4317 8.698168 ?        ?        0.000000       8.698168 
1 1 1 -5  24 6  o 454.8550 7.724463 6078.730       206.0591 6119.976       256.1552 6003.097       346.8736 456.1574 9.574983 451.0005 13.12823 5.156891       16.24902 
1 1 1 -5  24 7  o 148.8407 9.591351 654.3257       83.27872 644.4734       97.71352 680.4796       159.2038 147.4933 11.38423 150.3886 18.43559 -2.895309      21.66730 
1 1 1 -5  24 8  o 173.3604 8.526073 885.6652       86.42019 798.8153       101.7528 1110.481       163.7099 164.3857 10.61104 193.3491 14.54379 -28.96339      18.00322 
1 1 1 -5  24 9  o 110.8127 11.88969 366.0295       76.06306 303.3940       91.60737 505.0697       136.4866 100.0065 16.17053 129.1668 18.54868 -29.16025      24.60771 
1 1 1 -5  24 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  24 11 o 85.00361 17.20247 221.8916       82.81145 337.6889       106.4781 44.62939       131.7404 105.2412 17.89113 59.38546 24.14275 45.85577       30.04938 
1 1 1 -5  24 12 o 421.3750 19.48030 5299.220       480.1071 0.000000       0.000000 5299.220       480.1071 ?        ?        421.3750 19.48030 0.000000       19.48030 
1 1 1 -5  24 13 o 263.9818 7.647937 2050.365       118.2799 1921.947       155.5364 2226.476       182.1429 255.2027 10.41380 274.5542 11.33623 -19.35149      15.39342 
1 1 1 -5  24 14 o 213.5173 8.227194 1342.987       102.8305 1308.281       138.8025 1385.208       153.0943 210.3097 11.29493 216.2835 12.11784 -5.973785      16.56555 
1 1 1 -5  24 15 o 158.9133 18.37541 762.0025       168.1052 0.000000       0.000000 762.0025       168.1052 ?        ?        158.9133 18.37541 0.000000       18.37541 
1 1 1 -5  24 16 f 251.6123 11.35078 1872.018       167.0662 0.000000       0.000000 1872.018       167.0662 ?        ?        251.6123 11.35078 0.000000       11.35078 
1 1 1 -5  24 17 o 119.6777 15.11112 431.3802       103.7021 364.8072       116.4883 685.6730       227.6672 109.0658 18.89563 148.0353 27.22609 -38.96957      33.14068 
1 1 1 -5  24 18 o 192.3724 9.095048 1092.229       102.3215 1032.127       140.0824 1160.975       149.8163 186.3770 12.89515 197.7004 12.99317 -11.32336      18.30594 
1 1 1 -5  24 19 o 466.5721 8.512315 6407.396       232.9255 6666.914       370.3578 6237.576       299.5942 474.4641 13.32287 459.7443 11.11134 14.71979       17.34822 
1 1 1 -5  24 20 o 269.9735 8.019704 2146.219       126.8377 2300.413       184.1162 2006.942       174.9832 278.9536 11.27732 260.4832 11.48245 18.47040       16.09424 
1 1 1 -5  24 21 o 452.2916 8.437247 6020.536       223.8050 5937.459       338.9425 6084.759       298.0099 447.8893 12.91691 454.0730 11.19063 -6.183746      17.09025 
1 1 1 -5  24 22 f 440.9067 8.485354 5721.848       219.4155 5679.296       331.7511 5754.935       292.5360 438.0008 12.92893 441.3993 11.30980 -3.398529      17.17757 
1 1 1 -5  24 23 o 249.0630 8.289395 1827.792       120.9141 1676.738       170.2452 1981.548       171.7616 237.8523 12.24564 258.8078 11.34369 -20.95547      16.69237 
1 1 1 -5  24 24 o 402.2958 8.027196 4763.635       189.3912 4475.890       270.3897 5040.775       265.3604 388.9186 11.86833 413.0226 10.96468 -24.10397      16.15801 
1 1 1 -5  24 25 o 152.4120 10.95752 689.7939       97.29122 629.5657       141.8648 743.2736       133.6807 144.2479 17.10164 157.4945 14.64045 -13.24661      22.51242 
1 1 1 -5  24 26 o 111.3458 14.47626 374.7504       92.29655 222.5337       137.4930 499.6035       124.5228 84.64509 25.55751 128.2013 16.97876 -43.55621      30.68329 
1 1 1 -5  24 27 o 282.9615 7.972845 2361.232       132.1776 2126.908       176.7775 2658.334       199.0538 267.7750 11.28186 299.3938 11.35705 -31.61877      16.00821 
1 1 1 -5  24 28 o 188.3478 9.610044 1050.910       105.8032 975.8741       152.5811 1120.407       146.8405 180.2889 14.55409 193.6939 13.00177 -13.40492      19.51583 
1 1 1 -5  24 29 o 107.0415 15.32960 349.4606       93.49128 447.5707       138.0945 266.4415       127.0306 119.8701 20.37161 91.39536 23.55217 28.47475       31.14012 
1 1 1 -5  24 30 o 220.8093 8.734352 1442.600       112.8862 1207.297       156.2040 1699.845       163.3243 200.7463 13.34339 238.8986 11.69251 -38.15230      17.74150 
1 1 1 -5  24 31 o 53.81707 20.28156 68.27793       87.20544 118.0940       135.3161 32.89103       114.0477 67.84602 25.32742 53.66086 22.20888 14.18515       33.68549 
1 1 1 -5  24 32 o 98.73234 14.58869 299.4860       81.93400 310.7439       124.4778 290.8798       108.8355 98.10931 22.15895 95.53000 20.06524 2.579308       29.89369 
1 1 1 -5  24 33 o 34.18582 15.84610 -58.83923      75.63236 -150.2126      118.3190 4.292939       98.34899 38.43734 18.40707 46.62188 20.02003 -8.184544      27.19598 
1 1 1 -5  24 34 o 50.52314 21.44581 18.90703       110.5472 -1.391054      123.5570 100.3528       247.4995 50.84529 22.13524 76.10073 32.18632 -25.25544      39.06313 
1 1 1 -5  24 35 o 61.08020 19.01177 117.9997       75.35716 112.7136       78.52120 179.6541       268.1646 60.13473 19.48977 83.11062 34.19208 -22.97589      39.35670 
1 1 1 -5  24 36 o 34.97831 16.07641 -47.31936      75.49864 -21.55888      79.01009 -317.9595      256.0954 38.63718 17.22062 53.80730 26.09127 -15.17012      31.26186 
1 1 1 -5  24 37 o 205.9533 20.30213 1373.973       242.0375 967.4330       439.3972 1551.059       290.0004 142.7329 46.09154 215.8058 23.28115 -73.07292      51.63760 
1 1 1 -5  24 38 o 134.5389 12.00474 554.6001       93.72809 468.3168       132.5171 640.9731       132.5860 119.4165 19.60103 142.3381 16.16895 -22.92160      25.40936 
1 1 1 -5  24 39 o 91.68249 17.44432 274.2266       90.37137 428.4975       128.6428 123.9128       126.9822 113.4946 20.06034 64.45475 24.43259 49.03987       31.61279 
1 1 1 -5  24 40 o 43.72475 19.12459 0.1454996      93.16518 160.5378       131.8280 -159.8945      131.6831 69.40687 25.15177 39.61555 19.08654 29.79131       31.57385 
1 1 1 -5  24 41 o 155.3966 15.70968 770.7839       141.2083 885.7610       156.1908 256.2597       330.4096 166.2229 16.22836 84.26886 36.44390 81.95403       39.89383 
1 1 1 -5  24 42 o 135.3998 14.20750 579.5399       111.1416 512.1953       153.1232 654.5219       161.5728 121.1000 22.38421 138.9610 20.43533 -17.86104      30.30933 
1 1 1 -5  24 43 o 78.40958 23.03293 222.7228       112.8790 274.0341       164.7751 177.3493       154.9479 83.58897 28.27566 71.00604 26.97224 12.58293       39.07704 
1 1 1 -5  24 44 f 98.44707 22.33258 346.3151       125.9689 462.3417       182.2307 240.1360       174.3260 108.2534 28.36662 78.59756 28.85505 29.65581       40.46331 
1 1 1 -5  25 1  o 125.9781 26.80043 494.2230       191.9185 494.2230       191.9185 0.000000       0.000000 125.9781 26.80043 ?        ?        0.000000       26.80043 
1 1 1 -5  25 2  o 356.3678 8.244742 3733.003       172.3162 3662.873       220.9623 3841.849       275.2772 352.5558 10.69899 360.6479 13.03621 -8.092102      16.86449 
1 1 1 -5  25 3  o 308.6792 8.357871 2803.056       151.1658 2803.056       151.1658 0.000000       0.000000 308.6792 8.357871 ?        ?        0.000000       8.357871 
1 1 1 -5  25 4  o 317.5594 8.387471 2966.720       156.0724 2966.720       156.0724 0.000000       0.000000 317.5594 8.387471 ?        ?        0.000000       8.387471 
1 1 1 -5  25 5  o 57.83838 20.01273 90.15827       82.64783 90.15827       82.64783 0.000000       0.000000 57.83838 20.01273 ?        ?        0.000000       20.01273 
1 1 1 -5  25 6  o 306.5504 7.088520 2760.884       127.4406 2831.175       159.4871 2636.731       211.9616 310.1485 8.776923 298.7928 12.12101 11.35571       14.96507 
1 1 1 -5  25 7  o 482.2937 8.038432 6838.014       227.3701 7262.397       298.3280 6249.864       351.2036 496.6479 10.24224 459.9705 13.03216 36.67734       16.57530 
1 1 1 -5  25 8  o 175.4526 9.214995 908.2234       94.48881 884.5040       117.6885 951.2447       158.4979 172.8181 11.68028 178.6458 15.27436 -5.827744      19.22850 
1 1 1 -5  25 9  o 432.2262 7.665527 5491.544       194.3138 5696.323       249.2419 5174.186       310.2796 439.8983 9.660916 418.4910 12.65657 21.40732       15.92238 
1 1 1 -5  25 10 o 223.3759 7.494754 1468.309       98.04573 1552.238       125.2372 1335.424       157.5860 229.4619 9.325628 212.2987 12.71494 17.16318       15.76823 
1 1 1 -5  25 11 o 134.9147 18.93942 552.2899       145.7358 0.000000       0.000000 552.2899       145.7358 ?        ?        134.9147 18.93942 0.000000       18.93942 
1 1 1 -5  25 12 o 117.1028 13.04126 410.1893       88.04692 331.6190       110.7587 545.0878       145.1283 103.9527 18.86179 133.9544 19.00627 -30.00168      26.77695 
1 1 1 -5  25 13 o 432.9713 10.48911 5526.377       266.3472 5638.949       314.0660 5238.040       502.6383 436.7648 12.27308 417.9191 20.57071 18.84570       23.95376 
1 1 1 -5  25 14 o 368.5771 12.71663 4020.175       274.4732 0.000000       0.000000 4020.175       274.4732 ?        ?        368.5771 12.71663 0.000000       12.71663 
1 1 1 -5  25 15 o 191.4097 26.62763 1131.850       290.8324 0.000000       0.000000 1131.850       290.8324 ?        ?        191.4097 26.62763 0.000000       26.62763 
1 1 1 -5  25 16 o 173.6747 10.00669 891.9559       101.4927 895.2344       133.4470 887.4575       156.3150 173.4578 13.21743 172.2001 15.64880 1.257660       20.48378 
1 1 1 -5  25 17 o 274.9708 7.959166 2226.266       128.2175 1964.671       170.6459 2565.420       194.3027 257.7444 11.31660 294.6013 11.26665 -36.85687      15.96881 
1 1 1 -5  25 18 o 396.7245 8.006094 4630.545       186.2774 4299.108       262.6512 4965.975       264.2280 381.3596 11.75745 410.0994 10.99591 -28.73978      16.09807 
1 1 1 -5  25 19 o 133.8580 15.25246 538.2805       117.6051 505.0930       138.3151 624.8849       223.4358 128.7895 18.87191 140.9306 28.02010 -12.14113      33.78276 
1 1 1 -5  25 20 o 379.8471 8.282783 4245.813       184.5167 4283.980       274.5235 4214.362       249.2023 380.5505 12.31655 377.7127 11.26225 2.837860       16.68939 
1 1 1 -5  25 21 o 206.5324 9.825294 1259.981       118.6690 1268.250       169.7007 1252.068       166.0068 206.4217 14.10244 205.1421 13.87986 1.279602       19.78710 
1 1 1 -5  25 22 o 97.31575 18.28304 291.5894       100.5172 179.0012       144.2830 397.7654       140.1142 78.68697 26.45893 113.1817 21.90025 -34.49471      34.34669 
1 1 1 -5  25 23 o 199.7505 10.86007 1181.687       126.7461 1198.179       157.4955 1151.375       213.5209 200.6170 13.46393 195.2278 18.88418 5.389206       23.19245 
1 1 1 -5  25 24 o 108.6316 17.79883 361.6722       109.4725 539.0570       145.1744 127.8441       166.6787 132.7522 19.20380 73.90583 27.99752 58.84638       33.95066 
1 1 1 -5  25 25 o 122.7905 15.10632 455.7137       106.4960 491.6203       146.1704 415.0898       155.4760 126.1463 20.45776 114.7198 23.88602 11.42651       31.44936 
1 1 1 -5  25 26 o 310.3945 8.130189 2841.660       147.8737 2581.653       208.5619 3104.496       209.6928 294.8014 12.08863 323.6523 11.06352 -28.85098      16.38708 
1 1 1 -5  25 27 o 218.6992 9.061031 1414.556       115.9668 1303.332       162.4593 1530.106       165.5892 208.8669 13.33207 226.6166 12.50770 -17.74973      18.28077 
1 1 1 -5  25 28 o 50.38808 20.17367 41.06679       90.44608 30.01162       134.3722 50.22458       122.2987 57.37082 23.95516 57.56606 23.31334 -0.1952400     33.42696 
1 1 1 -5  25 29 o 132.8286 12.28667 529.2888       94.62976 582.3123       142.1323 487.0711       126.8253 137.6855 18.03481 125.8604 17.66752 11.82518       25.24670 
1 1 1 -5  25 30 o 120.3605 13.60679 438.6326       94.36620 458.5471       149.8128 425.5342       121.4993 120.2398 22.05727 117.0784 18.29294 3.161369       28.65580 
1 1 1 -5  25 31 o 251.3036 8.144908 1869.669       119.8841 1941.392       173.7822 1804.543       165.5972 254.8247 11.65911 245.7158 11.52340 9.108887       16.39280 
1 1 1 -5  25 32 o 190.8635 8.828421 1083.132       98.55495 1081.427       142.9995 1084.675       136.0180 189.2226 12.96411 189.7876 12.28621 -0.5650177     17.86111 
1 1 1 -5  25 33 o 82.59552 17.30468 217.4707       81.13642 326.6670       128.1497 144.4110       104.8221 99.51715 22.48820 67.94234 22.54657 31.57481       31.84442 
1 1 1 -5  25 34 o 70.34848 18.63923 160.4022       78.12089 260.3814       127.9680 101.0073       98.63276 87.82755 24.11298 59.76731 21.74175 28.06024       32.46752 
1 1 1 -5  25 35 o 104.3873 13.54983 336.6699       80.99749 378.7654       85.06512 -72.18179      265.1040 110.8879 13.34841 65.77200 30.19104 45.11587       33.01029 
1 1 1 -5  25 36 o 204.6605 8.145400 1249.033       97.57279 1286.645       103.9397 969.9332       283.1358 207.5456 8.557563 163.6926 30.61802 43.85295       31.79143 
1 1 1 -5  25 37 o 215.0457 11.95685 1409.936       150.2052 1365.652       174.5011 1536.582       295.1019 209.9569 14.25610 212.7977 24.06778 -2.840836      27.97310 
1 1 1 -5  25 38 o 86.07969 18.23252 244.2362       89.17677 315.1522       119.4106 154.8097       134.0923 96.10659 21.70076 69.29859 25.32878 26.80800       33.35371 
1 1 1 -5  25 39 o 52.14807 20.15758 69.89145       87.56356 104.5735       117.0272 25.77714       131.9849 60.61930 23.33744 53.29871 23.04184 7.320591       32.79577 
1 1 1 -5  25 40 o 165.6861 11.23285 840.7092       108.5054 913.3974       147.1238 754.0206       160.6689 170.0570 14.90202 151.5901 18.45184 18.46686       23.71793 
1 1 1 -5  25 41 o 46.40429 20.00056 16.81255       98.85353 -77.85384      137.9205 116.8210       141.7585 45.36439 21.15293 63.57779 25.32214 -18.21341      32.99480 
1 1 1 -5  25 42 o 64.94200 23.13960 142.9278       111.0464 240.6476       149.6686 23.25669       165.6281 79.66392 26.94836 56.59715 25.09593 23.06676       36.82417 
1 1 1 -5  25 43 f 52.19836 22.35427 39.56934       122.0082 137.8306       169.4842 -66.12677      175.7793 66.99404 27.32833 51.48998 23.96598 15.50406       36.34839 
1 1 1 -5  25 44 o 188.8180 12.48179 1113.147       137.4446 945.3652       186.1859 1314.080       203.7516 167.0759 19.35912 199.4309 17.60085 -32.35501      26.16421 
1 1 1 -5  26 1  o 699.2001 12.66920 14427.87       519.5187 13693.91       686.2400 15413.29       795.1545 679.1294 17.24346 719.6646 18.85581 -40.53516      25.55149 
1 1 1 -5  26 2  o 443.8757 9.148484 5796.991       238.1557 5796.991       238.1557 0.000000       0.000000 443.8757 9.148484 ?        ?        0.000000       9.148484 
1 1 1 -5  26 3  o 275.3677 8.520471 2232.220       137.4372 2232.220       137.4372 0.000000       0.000000 275.3677 8.520471 ?        ?        0.000000       8.520471 
1 1 1 -5  26 4  o 246.1657 8.546013 1784.416       123.1920 1784.416       123.1920 0.000000       0.000000 246.1657 8.546013 ?        ?        0.000000       8.546013 
1 1 1 -5  26 5  o 213.7305 9.185516 1346.708       114.8697 1346.708       114.8697 0.000000       0.000000 213.7305 9.185516 ?        ?        0.000000       9.185516 
1 1 1 -5  26 6  o 453.2930 9.138178 6046.738       242.9345 6138.155       335.0177 5945.363       352.7935 455.8239 12.54392 448.3595 13.43178 7.464325       18.37832 
1 1 1 -5  26 7  o 39.07726 17.64580 -44.85646      85.99418 -44.85646      85.99418 0.000000       0.000000 39.07726 17.64580 ?        ?        0.000000       17.64580 
1 1 1 -5  26 8  o 147.7111 10.05251 645.6519       86.56509 696.7667       102.3530 517.2319       162.2347 153.2711 11.46967 129.6934 22.12223 23.57765       24.91880 
1 1 1 -5  26 9  o 302.0168 7.188496 2681.196       127.3268 2735.170       157.3581 2578.846       216.6903 304.7313 8.814101 295.2109 12.54433 9.520355       15.33130 
1 1 1 -5  26 10 o 228.2411 17.06567 1557.161       226.7839 1309.857       278.2971 2046.009       391.2738 207.4789 23.27156 258.7570 26.14138 -51.27815      34.99910 
1 1 1 -5  26 11 o 319.5567 7.009696 3001.664       131.3704 2883.276       164.2765 3211.681       218.8004 312.8260 8.963345 329.7170 11.33189 -16.89105      14.44829 
1 1 1 -5  26 12 f 251.8533 9.828868 1871.801       144.8995 1932.651       156.8147 1516.416       378.9711 255.8120 10.47454 220.7339 30.05417 35.07808       31.82717 
1 1 1 -5  26 13 o 171.8933 9.454424 873.0015       94.94430 723.5417       119.5246 1128.572       156.2969 155.8428 13.20145 194.7632 13.77219 -38.92046      19.07751 
1 1 1 -5  26 14 o 170.2168 11.90503 859.9153       118.0965 887.2322       127.0294 685.9261       320.5896 172.7856 12.62271 145.1002 37.42776 27.68541       39.49899 
1 1 1 -5  26 15 o 309.9024 8.784541 2829.754       159.4983 2974.230       209.5779 2630.902       245.8744 317.2343 11.28254 297.6710 14.12430 19.56332       18.07737 
1 1 1 -5  26 16 o 389.1152 11.22406 4472.453       255.8730 0.000000       0.000000 4472.453       255.8730 ?        ?        389.1152 11.22406 0.000000       11.22406 
1 1 1 -5  26 17 o 193.8472 12.74863 1115.741       144.1306 1172.617       165.2920 935.2946       294.4150 198.4358 14.29892 172.4198 30.21620 26.01604       33.42869 
1 1 1 -5  26 18 o 150.4869 13.03184 674.7145       113.8826 572.5823       150.0682 813.3961       174.8706 137.2055 19.17220 164.1394 18.48690 -26.93388      26.63341 
1 1 1 -5  26 19 o 280.8563 8.738282 2324.476       143.7580 2138.583       197.3170 2534.778       209.8724 268.6695 12.55737 292.6166 12.25656 -23.94711      17.54739 
1 1 1 -5  26 20 f 160.2354 11.95008 762.7885       111.4913 780.8509       152.9035 742.2827       162.9176 161.2265 16.39873 156.7560 18.05035 4.470459       24.38716 
1 1 1 -5  26 21 o 116.7608 17.38704 415.0215       115.4359 532.3397       141.6009 182.5712       199.3189 132.1766 18.79592 84.01826 30.85273 48.15837       36.12724 
1 1 1 -5  26 22 o 70.36372 22.45547 147.4817       104.5129 187.6905       144.8090 103.7660       150.9919 79.85271 26.50042 69.07492 26.53031 10.77779       37.49839 
1 1 1 -5  26 23 o 113.2127 18.25887 393.1521       117.1093 465.3476       151.1198 284.6163       185.2905 122.3741 21.85845 95.57997 29.82130 26.79408       36.97434 
1 1 1 -5  26 24 o 527.6423 9.398428 8216.887       290.8341 8204.315       445.6895 8226.210       383.8144 524.7217 14.49670 526.6738 12.42593 -1.952087      19.09340 
1 1 1 -5  26 25 o 62.89149 21.50919 111.9636       95.38206 -75.35649      137.3057 286.6603       132.5986 48.43000 22.03851 94.95610 23.84654 -46.52610      32.47081 
1 1 1 -5  26 26 o 60.35719 21.38701 98.43446       94.74301 234.4761       146.0689 -0.3642814     124.4794 86.39956 26.39528 52.35590 22.50330 34.04366       34.68587 
1 1 1 -5  26 27 o 195.1733 9.847573 1129.568       112.3556 1002.412       162.5264 1245.962       155.4962 182.3639 15.33820 204.1704 13.05442 -21.80650      20.14146 
1 1 1 -5  26 28 o 255.5050 8.572834 1930.422       128.2800 1775.863       184.3829 2075.417       178.5865 243.7452 12.94476 264.0487 11.56026 -20.30353      17.35530 
1 1 1 -5  26 29 o 239.1242 8.741455 1693.232       122.3845 1495.430       173.9943 1886.920       172.1756 223.2422 13.35048 251.4941 11.70539 -28.25195      17.75532 
1 1 1 -5  26 30 o 459.8767 8.252660 6256.377       222.5799 6042.569       303.4577 6505.348       327.4620 449.9539 11.50896 466.5385 11.97794 -16.58453      16.61106 
1 1 1 -5  26 31 o 167.2329 9.765381 834.6908       95.36033 737.8058       135.6989 929.2161       134.0362 155.3002 15.08886 175.2729 13.13491 -19.97278      20.00499 
1 1 1 -5  26 32 o 34.68462 16.10351 -61.51762      78.59431 -22.38322      129.2576 -84.47348      98.99734 49.99177 22.16831 38.13414 17.82748 11.85762       28.44738 
1 1 1 -5  26 33 o 180.3006 9.239783 971.4260       97.37753 875.3770       142.5929 1055.365       133.3014 168.8070 14.54484 186.6540 12.24481 -17.84697      19.01283 
1 1 1 -5  26 34 o 134.8607 11.24457 550.8875       88.12767 543.6616       144.2908 555.1868       111.2987 129.9844 19.53099 134.0618 14.38029 -4.077316      24.25391 
1 1 1 -5  26 35 o 113.9956 12.32629 398.3828       81.09909 357.1071       84.29456 912.0386       297.3640 107.3150 13.70571 155.7697 33.54292 -48.45473      36.23499 
1 1 1 -5  26 36 o 187.5941 8.522099 1053.124       93.51485 1039.379       98.89367 1169.266       287.4709 186.1075 9.088018 181.5769 27.88505 4.530624       29.32862 
1 1 1 -5  26 37 o 54.62514 19.45579 88.80175       78.49629 67.97069       81.22382 383.4345       305.4697 51.21640 19.51095 96.66346 37.57126 -45.44706      42.33529 
1 1 1 -5  26 38 o 62.53614 29.26739 -93.78687      268.0346 -360.3082      444.6785 58.30305       335.9157 68.44275 33.45242 75.38561 34.36909 -6.942863      47.96143 
1 1 1 -5  26 39 o 157.7744 11.49775 763.8847       105.6596 887.5222       147.4105 633.2490       151.5249 167.4541 15.17461 138.2749 19.20236 29.17918       24.47447 
1 1 1 -5  26 40 o 122.0661 14.85879 474.5137       104.1835 448.0440       141.8280 505.5370       153.5438 113.4351 22.11370 120.2499 22.60146 -6.814857      31.62027 
1 1 1 -5  26 41 o 60.48977 22.41455 115.7955       105.6081 241.4268       141.7095 -41.13730      158.3824 80.21721 26.19582 50.96146 23.37157 29.25574       35.10629 
1 1 1 -5  26 42 o 243.1080 10.56212 1807.733       150.2324 1961.116       208.1745 1641.034       217.0229 248.9961 14.31591 224.9631 16.56534 24.03299       21.89419 
1 1 1 -5  26 43 o 118.7013 18.98130 476.9631       127.6896 663.2641       171.4113 244.6829       191.3982 137.3302 22.02693 78.67447 29.95552 58.65570       37.18224 
1 1 1 -5  27 1  o 385.6363 8.562815 4375.431       193.6622 4262.579       247.8041 4552.511       310.4117 380.0358 11.13017 392.1657 13.51660 -12.12994      17.50940 
1 1 1 -5  27 2  o 50.47787 24.03212 -241.2395      195.5527 -241.2395      195.5527 0.000000       0.000000 50.47787 24.03212 ?        ?        0.000000       24.03212 
1 1 1 -5  27 3  f 342.0636 8.369096 3442.191       167.8943 3461.891       215.8651 3412.026       267.1163 342.5153 10.75947 339.4397 13.44458 3.075592       17.21984 
1 1 1 -5  27 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  27 5  o 161.7836 23.80812 803.3986       219.1482 803.3986       219.1482 0.000000       0.000000 161.7836 23.80812 ?        ?        0.000000       23.80812 
1 1 1 -5  27 6  o 292.3865 7.281056 2513.269       124.8539 2631.033       151.4296 2263.245       220.6446 298.8789 8.648124 276.2518 13.66114 22.62717       16.16839 
1 1 1 -5  27 7  o 221.1607 7.885514 1440.447       102.1158 1475.103       119.9172 1349.016       194.7773 223.6429 9.162132 212.6473 15.72945 10.99554       18.20330 
1 1 1 -5  27 8  o 181.4064 9.212027 971.5006       97.68646 1026.039       115.2684 832.4995       184.0212 186.2445 10.59673 165.9303 19.26787 20.31424       21.98957 
1 1 1 -5  27 9  o 104.7696 14.65213 331.4209       87.57132 323.0717       102.5657 353.8790       168.2156 102.7796 17.65121 105.9392 26.99935 -3.159676      32.25725 
1 1 1 -5  27 10 o 177.1280 22.44252 957.4274       227.9106 1167.532       281.2545 555.6171       388.9487 194.9484 25.18776 132.2364 43.41165 62.71205       50.18959 
1 1 1 -5  27 11 o 247.7047 9.746514 1810.786       141.3141 1810.786       141.3141 0.000000       0.000000 247.7047 9.746514 ?        ?        0.000000       9.746514 
1 1 1 -5  27 12 o 299.4971 8.767402 2643.012       153.8319 2591.841       164.7378 2991.552       429.9382 296.4591 9.487188 314.1345 23.50719 -17.67538      25.34945 
1 1 1 -5  27 13 o 180.7781 10.95650 967.7415       115.6177 900.0613       122.6169 1510.315       347.1753 174.1312 12.08161 221.2339 27.33863 -47.10268      29.88923 
1 1 1 -5  27 14 o 280.7682 9.832592 2325.951       161.6574 2201.688       176.0930 2991.994       407.6826 272.9380 11.02356 314.7147 22.23097 -41.77664      24.81400 
1 1 1 -5  27 15 o 128.6366 14.54243 496.5115       107.7900 445.2474       134.4132 588.8813       180.4263 120.5655 19.68824 138.1272 23.08677 -17.56167      30.34181 
1 1 1 -5  27 16 o 387.4836 8.680658 4419.762       197.2679 4733.227       295.2973 4167.133       265.0977 399.9448 12.60525 375.3882 12.05698 24.55658       17.44314 
1 1 1 -5  27 17 o 315.5487 8.834104 2933.860       163.3247 2760.841       219.8791 3146.823       243.9425 305.4035 12.30124 325.9662 12.78520 -20.56271      17.74210 
1 1 1 -5  27 18 o 99.84593 19.90924 308.4891       112.4914 202.8999       146.1624 461.9095       176.1845 82.44872 26.57980 121.2997 25.57310 -38.85095      36.88454 
1 1 1 -5  27 19 o 346.5816 8.379175 3536.127       170.3167 3404.791       235.9238 3679.070       246.1286 339.2153 11.87727 352.6184 11.91876 -13.40317      16.82636 
1 1 1 -5  27 20 o 365.1870 8.396637 3927.146       179.8338 3875.740       253.3972 3979.310       255.2597 361.8174 11.95801 366.6456 11.88665 -4.828217      16.86080 
1 1 1 -5  27 21 o 286.1527 8.425547 2414.041       141.2451 2177.486       191.7882 2694.409       208.7951 270.9788 12.09853 301.5593 11.82879 -30.58047      16.92024 
1 1 1 -5  27 22 o 211.3141 10.10926 1321.600       124.9215 1312.352       173.9228 1331.456       179.5425 209.6281 14.23112 211.0569 14.59486 -1.428864      20.38467 
1 1 1 -5  27 23 o 211.9845 9.885635 1330.328       122.5636 1300.916       177.9713 1356.861       169.0359 208.4462 14.65145 213.2044 13.58936 -4.758209      19.98338 
1 1 1 -5  27 24 o 198.6127 10.12836 1169.305       117.5873 1286.762       170.0488 1061.679       162.7765 207.3679 14.06564 188.0402 14.88139 19.32767       20.47676 
1 1 1 -5  27 25 o 61.98618 21.74079 105.8641       97.71458 39.08591       135.9322 177.2694       140.5627 58.68807 24.26381 77.35605 26.11588 -18.66798      35.64788 
1 1 1 -5  27 26 o 63.29295 21.58150 114.8047       96.01057 114.9955       140.9089 114.6394       131.1723 68.51033 25.78918 67.28206 24.97141 1.228271       35.89782 
1 1 1 -5  27 27 o 168.6752 10.94698 847.8418       107.7069 795.3931       161.2847 890.0599       144.7022 161.4259 17.30589 171.8301 14.49407 -10.40421      22.57370 
1 1 1 -5  27 28 o 249.4447 8.779522 1842.756       128.2384 1829.657       189.0537 1853.920       174.5288 247.0744 13.09364 249.1488 11.97932 -2.074402      17.74676 
1 1 1 -5  27 29 o 236.6668 8.644144 1660.795       119.7787 1708.291       176.6826 1620.401       162.9365 238.5323 12.67530 232.5868 11.98533 5.945526       17.44452 
1 1 1 -5  27 30 o 225.0511 8.686237 1504.557       114.4319 1377.843       166.1565 1618.885       157.8269 213.4856 13.33747 232.2918 11.62193 -18.80617      17.69060 
1 1 1 -5  27 31 o 133.9117 11.74144 542.3880       91.28049 394.9410       137.6211 658.2074       121.9713 109.8348 22.13028 146.5549 14.37554 -36.72018      26.38949 
1 1 1 -5  27 32 o 81.44858 18.03555 213.8465       83.87658 229.7924       133.2435 203.3801       107.9490 82.62584 25.20350 78.33853 22.38176 4.287308       33.70696 
1 1 1 -5  27 33 o 71.22459 19.58680 166.0093       84.35700 240.0113       138.4241 122.2900       106.3964 83.83402 25.71125 63.77572 22.65766 20.05830       34.27008 
1 1 1 -5  27 34 o 136.1741 11.32533 563.1672       89.62936 523.2966       138.1300 592.1625       117.7949 127.3506 19.08109 138.0363 14.78049 -10.68578      24.13609 
1 1 1 -5  27 35 o 156.6318 9.496363 738.3843       86.82457 712.5281       90.68620 1022.736       300.7366 153.5866 10.12433 165.0897 32.21796 -11.50314      33.77128 
1 1 1 -5  27 36 o 59.12012 19.96578 110.5526       82.15491 100.6026       85.49937 230.3240       296.6378 57.48513 20.32184 84.65681 35.48742 -27.17168      40.89418 
1 1 1 -5  27 37 o 79.22022 18.48133 208.9971       84.28621 228.4590       86.50307 -156.1765      374.7046 83.00592 18.26588 69.46529 33.12624 13.54063       37.82843 
1 1 1 -5  27 38 o 55.61167 23.46987 51.94145       131.1352 11.97686       138.5265 396.7462       406.8945 52.76238 23.19158 94.22027 40.59333 -41.45789      46.75113 
1 1 1 -5  27 39 o 95.07410 18.13614 301.0454       97.43576 230.7795       133.3508 381.5266       142.7153 79.34837 25.36954 102.9583 24.06881 -23.60991      34.97029 
1 1 1 -5  27 40 o 47.93849 20.31593 30.53916       98.93564 126.3818       135.8849 -77.58492      144.3288 64.12457 25.02036 46.37811 21.62999 17.74647       33.07378 
1 1 1 -5  27 41 o 126.3199 15.64390 515.6082       113.4209 378.2766       150.4904 696.1933       172.5698 100.3856 25.51221 141.7332 21.42908 -41.34758      33.31784 
1 1 1 -5  27 42 o 53.04412 22.47631 49.35223       121.0657 148.2729       166.6898 -61.08397      176.1251 67.79177 27.30193 51.75336 24.05498 16.03841       36.38733 
1 1 1 -5  28 1  o 429.0847 9.178787 5421.398       230.9824 5377.893       298.9248 5485.869       363.8902 426.5790 11.96027 430.0783 14.44739 -3.499359      18.75566 
1 1 1 -5  28 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  28 3  f 188.3969 8.611474 1046.806       94.89687 939.3317       104.5986 1546.868       225.6245 178.2512 10.04626 227.4265 17.03977 -49.17523      19.78083 
1 1 1 -5  28 4  o 110.8927 15.43539 371.6426       97.66837 371.6426       97.66837 0.000000       0.000000 110.8927 15.43539 ?        ?        0.000000       15.43539 
1 1 1 -5  28 5  o 266.6857 7.697728 2093.546       120.2702 2248.556       141.7406 1694.963       227.2862 276.2371 8.760143 238.2674 16.36452 37.96973       18.56172 
1 1 1 -5  28 6  o 205.7377 20.29431 1278.774       241.6864 1278.774       241.6864 0.000000       0.000000 205.7377 20.29431 ?        ?        0.000000       20.29431 
1 1 1 -5  28 7  o 74.11029 20.04222 169.8735       89.19065 214.6120       101.4056 17.00609       187.4472 83.03407 20.85463 65.87640 27.94290 17.15767       34.86720 
1 1 1 -5  28 8  f 328.8183 7.634045 3180.063       147.2181 3393.737       182.7392 2784.944       248.4969 339.3346 9.190796 306.3559 13.86665 32.97870       16.63594 
1 1 1 -5  28 9  o 166.5513 30.55776 875.7062       287.4871 875.7062       287.4871 0.000000       0.000000 166.5513 30.55776 ?        ?        0.000000       30.55776 
1 1 1 -5  28 10 o 288.5151 7.557771 2449.818       127.7729 2289.814       155.3259 2784.707       224.7134 278.6283 9.519330 306.6723 12.52040 -28.04398      15.72825 
1 1 1 -5  28 11 o 86.65410 33.07383 173.4152       233.6801 47.27417       283.7703 439.1681       411.8867 81.72457 34.50949 122.9565 44.47208 -41.23195      56.29095 
1 1 1 -5  28 12 o 297.2844 7.595502 2600.945       132.3193 2562.774       166.8713 2665.592       217.1672 294.7645 9.665933 300.0738 12.36652 -5.309296      15.69589 
1 1 1 -5  28 13 f 280.3578 9.603635 2318.422       157.6729 2327.751       168.3277 2251.655       450.3293 280.8101 10.23812 270.0612 28.88050 10.74881       30.64151 
1 1 1 -5  28 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  28 15 o 515.0674 11.08844 7829.104       334.9537 7829.104       334.9537 0.000000       0.000000 515.0674 11.08844 ?        ?        0.000000       11.08844 
1 1 1 -5  28 16 o 369.5900 8.703537 4021.668       188.6542 3903.360       258.7695 4155.887       275.6219 363.2210 12.16479 374.6895 12.56048 -11.46848      17.48565 
1 1 1 -5  28 17 o 203.3249 10.57468 1223.017       125.6647 1059.301       158.9275 1496.126       205.2682 188.4337 14.49229 223.8174 15.73819 -35.38373      21.39432 
1 1 1 -5  28 18 o 450.1852 8.899860 5970.622       234.9767 6088.774       353.0932 5876.704       314.8071 453.1360 13.30088 445.6104 12.05696 7.525635       17.95227 
1 1 1 -5  28 19 o 318.0463 8.709585 2982.459       162.3040 3144.580       231.6231 2826.061       227.4977 325.7522 12.14521 308.6676 12.59356 17.08463       17.49582 
1 1 1 -5  28 20 o 540.2761 9.615111 8612.352       304.6636 8943.388       481.4265 8391.218       393.4766 547.9671 14.99455 532.1229 12.60830 15.84418       19.59096 
1 1 1 -5  28 21 o 336.5600 8.575910 3341.580       169.1373 3162.514       235.0916 3533.722       243.5236 326.3762 12.30400 345.1096 12.05037 -18.73346      17.22208 
1 1 1 -5  28 22 o 199.2186 12.08977 1181.294       140.5883 1213.223       177.4066 1127.393       230.5030 201.0637 15.15637 191.8397 20.82091 9.223969       25.75317 
1 1 1 -5  28 23 o 79.64357 24.08417 197.5408       122.0313 329.4090       162.1609 25.35184       185.3015 101.1688 26.87735 65.43855 27.77089 35.73020       38.64730 
1 1 1 -5  28 24 o 41.88162 19.04637 -57.03095      102.3470 -141.0810      143.5923 29.76252       145.9169 45.11889 21.21288 59.38337 24.89095 -14.26448      32.70390 
1 1 1 -5  28 25 o 165.6148 11.44940 817.9683       110.5225 820.0721       161.8932 816.1320       151.2536 164.1835 17.06166 164.1683 15.90879 0.1519775E-01  23.32788 
1 1 1 -5  28 26 o 147.4989 12.68999 653.1985       108.7082 617.5923       161.5858 682.6389       146.9302 140.9507 20.11738 149.4433 17.07008 -8.492615      26.38364 
1 1 1 -5  28 27 o 269.7001 8.558409 2153.256       135.1993 2099.844       196.8286 2200.967       186.0295 264.8313 12.70978 271.5669 11.70782 -6.735565      17.28038 
1 1 1 -5  28 28 o 168.3971 10.31667 846.5926       101.3993 941.2800       156.1229 777.5093       133.3543 175.7896 15.29551 160.0165 14.36254 15.77303       20.98179 
1 1 1 -5  28 29 o 61.05392 23.84011 84.99080       123.4425 6.095787       137.1679 421.0857       283.1122 54.34434 23.49189 108.3164 37.05664 -53.97206      43.87555 
1 1 1 -5  28 30 o 227.0489 8.553498 1533.440       113.6937 1531.495       166.3075 1535.146       155.7825 225.0235 12.65279 225.7347 11.80816 -0.7112274     17.30682 
1 1 1 -5  28 31 o 122.4839 12.46630 457.4510       88.30366 428.0780       141.1656 476.3326       113.1810 114.1383 21.88465 123.5391 15.99655 -9.400803      27.10770 
1 1 1 -5  28 32 o 65.81050 20.21030 139.8460       85.49312 128.2236       143.8818 146.1888       106.2918 67.89798 25.94321 67.77084 22.70907 0.1271362      34.47828 
1 1 1 -5  28 33 f 101.1134 15.07762 321.0544       86.68214 468.2321       144.1686 237.7239       108.4805 118.9512 21.45495 84.03084 21.82100 34.92037       30.60181 
1 1 1 -5  28 34 o 137.3398 11.70212 575.9736       93.35963 585.0470       147.0037 569.8403       120.8627 134.1276 19.23784 134.5818 15.60153 -0.4541779     24.76898 
1 1 1 -5  28 35 o 45.17402 18.56112 32.27937       78.89328 26.73367       81.51996 114.1993       313.3145 44.90730 18.69753 78.02612 34.56133 -33.11882      39.29483 
1 1 1 -5  28 36 o 92.10197 15.91728 272.7882       82.86939 272.4446       85.71875 277.6996       324.1031 91.73446 16.54124 87.73058 36.95409 4.003883       40.48725 
1 1 1 -5  28 37 o 68.43188 19.98335 158.9689       85.18481 143.9841       87.25455 463.6342       393.4362 65.36388 20.47470 98.48927 41.04697 -33.12539      45.87011 
1 1 1 -5  28 38 o 65.46265 21.05322 145.8757       91.73701 123.4072       94.79939 476.8851       363.8636 61.41321 21.42291 98.31470 40.06571 -36.90149      45.43349 
1 1 1 -5  28 39 o 63.09092 25.51490 110.7328       146.2547 0.000000       0.000000 110.7328       146.2547 ?        ?        63.09092 25.51490 0.000000       25.51490 
1 1 1 -5  28 40 o 126.9004 14.62740 514.3293       106.8736 573.2194       142.9470 439.6899       160.9303 130.3591 19.27810 108.3892 25.70771 21.96987       32.13303 
1 1 1 -5  28 41 o 51.09301 21.45653 46.79871       108.7448 3.846361       142.2667 107.1632       168.6555 51.68603 23.06745 63.83208 26.75821 -12.14605      35.32859 
1 1 1 -5  29 1  o 141.5055 12.82172 596.8559       105.2533 596.8559       105.2533 0.000000       0.000000 141.5055 12.82172 ?        ?        0.000000       12.82172 
1 1 1 -5  29 2  o 306.8345 8.888267 2774.296       159.7768 2733.921       189.8629 2872.282       295.7745 304.2668 10.65629 310.4411 16.30256 -6.174255      19.47639 
1 1 1 -5  29 3  o 296.7494 8.931702 2595.215       155.2673 2595.215       155.2673 0.000000       0.000000 296.7494 8.931702 ?        ?        0.000000       8.931702 
1 1 1 -5  29 4  o 251.8937 11.12100 1876.062       163.8853 1876.062       163.8853 0.000000       0.000000 251.8937 11.12100 ?        ?        0.000000       11.12100 
1 1 1 -5  29 5  o 92.99117 34.19738 225.5608       245.0205 225.5608       245.0205 0.000000       0.000000 92.99117 34.19738 ?        ?        0.000000       34.19738 
1 1 1 -5  29 6  o 61.57603 21.48869 102.3855       95.38806 142.4314       108.3355 -35.75445      201.2110 69.94604 22.90820 63.85295 28.01209 6.093094       36.18650 
1 1 1 -5  29 7  o 336.5837 9.317423 3339.431       183.7475 3339.431       183.7475 0.000000       0.000000 336.5837 9.317423 ?        ?        0.000000       9.317423 
1 1 1 -5  29 8  o 143.4928 33.77031 662.4641       279.4333 662.4641       279.4333 0.000000       0.000000 143.4928 33.77031 ?        ?        0.000000       33.77031 
1 1 1 -5  29 9  o 247.5875 21.37790 1852.228       307.3785 1852.228       307.3785 0.000000       0.000000 247.5875 21.37790 ?        ?        0.000000       21.37790 
1 1 1 -5  29 10 o 219.8358 9.658681 1426.621       124.2240 1340.660       146.6051 1645.467       233.9193 212.7447 11.79623 234.5349 17.12423 -21.79015      20.79400 
1 1 1 -5  29 11 o 280.7081 10.24483 2326.074       168.3764 2315.747       177.3757 2420.170       535.4137 279.9757 10.82286 277.7479 33.54799 2.227875       35.25055 
1 1 1 -5  29 12 o 512.6608 8.827048 7737.831       265.3971 7710.455       323.2429 7794.458       464.9052 511.2514 10.78063 512.1832 15.49488 -0.9317627     18.87626 
1 1 1 -5  29 13 o 222.1356 11.61638 1461.097       150.8091 1498.606       159.4623 1143.360       464.1159 224.8778 12.13593 185.2431 43.47216 39.63467       45.13435 
1 1 1 -5  29 14 o 441.3979 8.861996 5737.346       229.4100 5461.448       318.2799 6035.667       330.9609 429.5375 12.64826 451.6186 12.50756 -22.08102      17.78813 
1 1 1 -5  29 15 o 302.7741 9.067979 2702.919       160.8385 2830.865       193.6593 2418.443       288.7664 309.5389 10.68376 284.2804 17.40345 25.25845       20.42114 
1 1 1 -5  29 16 o 231.8859 11.03177 1591.604       149.5970 1632.276       165.6321 1411.534       348.5127 234.6212 12.07788 212.6787 28.67073 21.94252       31.11087 
1 1 1 -5  29 17 o 150.7054 14.83903 681.3664       129.4555 603.4390       152.4154 883.1622       245.2673 140.7109 18.95064 168.4598 25.63235 -27.74895      31.87701 
1 1 1 -5  29 18 o 224.0501 12.16748 1490.613       159.2808 1606.729       182.4530 1118.593       326.5785 232.3222 13.44838 187.5611 30.75383 44.76115       33.56571 
1 1 1 -5  29 19 o 300.2918 8.824697 2661.284       155.2467 2652.286       212.0483 2671.679       227.9132 298.9394 12.12000 299.7645 12.99486 -0.8251038     17.76966 
1 1 1 -5  29 20 o 102.6911 19.73892 328.3371       114.5616 269.1572       148.2521 416.0567       180.4938 92.09763 26.20192 113.7429 27.38718 -21.64526      37.90248 
1 1 1 -5  29 21 o 68.60787 24.71809 125.7974       127.0904 43.12405       151.3734 323.2767       233.9524 61.80738 25.58397 101.4714 33.68390 -39.66402      42.29828 
1 1 1 -5  29 22 o 140.4870 14.47559 595.0313       117.5623 684.5717       161.7981 494.8890       171.1088 149.4476 18.88071 124.9335 24.22756 24.51415       30.71573 
1 1 1 -5  29 23 o 230.9176 10.01950 1580.731       135.3689 1419.355       188.4058 1752.939       194.6268 217.3630 14.86899 242.0565 13.76669 -24.69351      20.26348 
1 1 1 -5  29 24 o 180.6425 11.54074 973.1837       121.6261 820.0936       170.6310 1131.307       173.4133 163.7335 18.06947 193.6069 15.39933 -29.87340      23.74121 
1 1 1 -5  29 25 o 240.2371 9.544783 1711.716       134.2120 1651.870       193.6539 1767.029       186.1757 234.4127 14.15214 242.8873 13.11845 -8.474564      19.29707 
1 1 1 -5  29 26 o 182.4702 10.60543 992.8931       113.0044 917.3397       164.3556 1060.634       155.6261 173.3780 16.35699 187.3748 14.26919 -13.99675      21.70624 
1 1 1 -5  29 27 o 288.4792 8.269571 2465.968       139.7654 2396.825       199.8843 2532.114       195.5047 282.7411 12.08208 290.9326 11.48068 -8.191498      16.66681 
1 1 1 -5  29 28 o 220.5726 8.856401 1447.062       114.3340 1446.725       170.7614 1447.335       153.9307 218.5884 13.38441 219.3043 12.01405 -0.7159576     17.98555 
1 1 1 -5  29 29 o 287.5648 8.185040 2456.250       137.9002 2305.251       195.6819 2605.224       194.3655 276.4937 12.09671 294.4906 11.27458 -17.99689      16.53622 
1 1 1 -5  29 30 o 123.6012 12.58303 466.2564       89.94292 407.1488       137.0820 510.9373       119.1846 111.2395 21.79201 127.8433 16.26379 -16.60380      27.19196 
1 1 1 -5  29 31 o 104.8636 14.49902 342.1555       86.78573 207.6551       139.5875 426.9070       110.8047 78.73961 26.01409 116.3041 16.72510 -37.56445      30.92672 
1 1 1 -5  29 32 f 111.3568 14.05198 385.2194       89.73150 564.1794       155.7386 296.2878       109.7859 131.0901 20.96297 94.60462 20.38881 36.48545       29.24294 
1 1 1 -5  29 33 o 258.6588 8.597578 2000.905       130.2417 2138.220       200.9297 1901.406       171.0389 264.1168 13.01178 250.0759 11.69437 14.04085       17.49470 
1 1 1 -5  29 34 o 116.5722 13.26157 421.8978       89.05518 485.1813       148.2946 386.2025       111.3742 119.8624 21.90244 108.9915 18.05532 10.87080       28.38506 
1 1 1 -5  29 35 o 151.1995 10.13243 693.0256       89.33068 701.7590       92.68958 579.0361       334.8675 151.9902 10.46218 111.4777 40.12829 40.51250       41.46971 
1 1 1 -5  29 36 f 63.26895 20.20905 133.5214       84.63364 111.7490       86.87370 539.4490       375.1110 59.15972 20.51551 104.2238 41.29449 -45.06403      46.10988 
1 1 1 -5  29 37 o 102.2570 14.85853 334.1901       86.50281 315.4055       88.77412 687.2590       384.8712 98.74239 15.86705 112.9907 42.60197 -14.24827      45.46088 
1 1 1 -5  29 38 o 91.73621 17.60830 279.6409       91.29077 325.3122       94.99298 -272.2593      330.2177 99.56628 16.86947 60.18923 29.28720 39.37705       33.79821 
1 1 1 -5  29 39 o 135.1452 17.27183 600.1378       133.7710 605.1651       141.8737 559.8588       401.5827 134.7492 18.43538 99.68998 41.50237 35.05918       45.41266 
1 1 1 -5  29 40 o 182.1269 11.71154 1026.391       124.4316 1079.305       165.1255 956.8622       189.2835 183.2529 15.50981 168.3091 19.53851 14.94380       24.94609 
1 1 1 -5  30 1  o 255.2381 10.08590 1923.199       150.6797 1875.764       171.8553 2080.885       313.3365 251.7799 11.67009 262.8435 20.48827 -11.06358      23.57881 
1 1 1 -5  30 2  o 412.4797 10.92951 5023.000       264.1625 4512.184       334.4790 5869.804       430.6536 389.8717 14.65448 444.0114 16.56707 -54.13965      22.11835 
1 1 1 -5  30 3  o 290.7765 9.497946 2493.385       161.7545 2493.385       161.7545 0.000000       0.000000 290.7765 9.497946 ?        ?        0.000000       9.497946 
1 1 1 -5  30 4  o 121.4488 34.99676 471.6772       262.8487 471.6772       262.8487 0.000000       0.000000 121.4488 34.99676 ?        ?        0.000000       34.99676 
1 1 1 -5  30 5  o 202.2463 10.50595 1209.393       124.1866 1309.301       143.0476 903.6953       250.2229 210.2632 11.64573 170.9774 25.75238 39.28577       28.26320 
1 1 1 -5  30 6  o 245.4185 9.154957 1776.167       131.5383 1640.538       148.5504 2268.669       283.0740 235.5885 10.78007 275.4392 17.61595 -39.85078      20.65264 
1 1 1 -5  30 7  o 178.6595 11.55672 946.2269       120.4412 907.4781       134.7871 1099.742       268.2845 174.6460 13.25856 189.2687 24.76273 -14.62273      28.08883 
1 1 1 -5  30 8  o 278.7018 8.819860 2289.043       143.9809 2181.183       163.4037 2663.567       304.4875 271.8086 10.26904 298.5773 17.46475 -26.76877      20.26008 
1 1 1 -5  30 9  f 302.5905 10.58595 2703.756       187.5712 2703.756       187.5712 0.000000       0.000000 302.5905 10.58595 ?        ?        0.000000       10.58595 
1 1 1 -5  30 10 o 56.16866 27.44618 -530.9991      298.7679 -616.0732      342.9278 -263.0157      608.6364 59.79738 29.25873 100.5688 46.00713 -40.77142      54.52274 
1 1 1 -5  30 11 o 302.8255 17.99943 2744.876       318.2276 2576.098       385.0630 3108.500       565.1959 291.5885 22.69563 316.3460 30.85569 -24.75754      38.30360 
1 1 1 -5  30 12 o 272.4119 10.50855 2192.537       167.5730 2227.246       175.3835 1828.679       567.8491 274.4815 10.91672 235.4939 42.68663 38.98766       44.06045 
1 1 1 -5  30 13 o 255.6653 8.919732 1927.800       133.5391 1677.197       158.6489 2536.912       247.3389 238.0040 11.39899 292.0331 14.48664 -54.02907      18.43366 
1 1 1 -5  30 14 o 400.8232 8.037518 4729.531       188.9406 4611.539       239.5633 4923.711       307.3234 395.1550 10.34609 407.5335 12.87440 -12.37851      16.51641 
1 1 1 -5  30 15 o 174.1657 13.37367 904.6346       135.5589 938.0443       145.9825 695.4303       365.3003 177.1930 14.16552 144.1603 41.16800 33.03268       43.53696 
1 1 1 -5  30 16 o 120.9747 18.04649 447.3465       124.1271 353.2904       142.6286 740.9763       252.0074 105.8742 23.57574 152.4912 29.24213 -46.61702      37.56218 
1 1 1 -5  30 17 o 149.9840 14.22238 674.9237       123.6082 438.8126       152.6819 1124.027       210.5728 118.3237 22.82929 192.4822 18.89684 -74.15855      29.63557 
1 1 1 -5  30 18 o 236.6786 10.22459 1658.785       141.5891 1576.162       184.1737 1778.187       221.4015 229.7961 13.72836 243.5262 15.58366 -13.73010      20.76820 
1 1 1 -5  30 19 o 354.6667 8.808322 3711.687       183.2163 3763.127       258.8982 3660.080       259.3163 355.8138 12.42575 350.8266 12.62395 4.987213       17.71337 
1 1 1 -5  30 20 o 126.9004 17.19820 492.1285       124.7047 481.8535       160.2457 507.9063       198.5729 123.7161 22.92978 125.4005 27.73680 -1.684380      35.98757 
1 1 1 -5  30 21 o 340.3391 8.992594 3423.372       179.3357 3711.673       266.2900 3184.085       242.5999 352.9513 12.88603 326.9558 12.67578 25.99545       18.07554 
1 1 1 -5  30 22 o 152.6942 15.62248 706.2090       137.9319 721.9871       169.1514 674.8978       238.2862 153.1782 19.25335 143.8668 29.23945 9.311417       35.00910 
1 1 1 -5  30 23 o 226.9168 12.76924 1539.964       169.2491 1313.902       195.5089 2216.024       338.1002 208.3193 16.12797 267.6956 21.72191 -59.37637      27.05462 
1 1 1 -5  30 24 o 159.7235 12.69860 766.3406       117.9744 633.7272       169.1152 892.0532       164.6562 142.2372 20.89549 171.0163 16.62648 -28.77905      26.70321 
1 1 1 -5  30 25 o 145.1699 13.61618 637.9303       114.5733 793.1234       159.7474 473.5344       164.4156 160.5862 17.23110 120.8723 24.03988 39.71387       29.57747 
1 1 1 -5  30 26 o 199.3139 9.489120 1183.095       110.6025 1174.647       161.6454 1190.532       151.6626 196.7927 14.09910 198.5744 13.09591 -1.781754      19.24285 
1 1 1 -5  30 27 o 53.24178 20.03072 70.61081       84.98186 -102.2023      135.4211 182.8755       109.1490 45.06978 20.99713 75.05528 22.79448 -29.98550      30.99141 
1 1 1 -5  30 28 o 122.9618 12.80764 461.2802       91.00918 484.5275       139.3736 443.9991       120.1650 122.8130 20.04067 118.5216 17.84003 4.291473       26.83086 
1 1 1 -5  30 29 o 59.50412 19.94693 108.6383       82.00657 71.79546       130.9629 132.4026       105.1802 59.65789 24.13785 65.48466 22.58031 -5.826775      33.05308 
1 1 1 -5  30 30 o 185.6882 9.482027 1033.077       102.9190 1020.377       157.1362 1042.617       136.1980 181.7617 14.87076 185.0410 12.62589 -3.279251      19.50776 
1 1 1 -5  30 31 o 74.11839 19.15699 181.1564       83.87324 177.2918       143.3799 183.1667       103.4127 73.86044 26.29599 73.95728 22.12767 -0.9684753E-01 34.36732 
1 1 1 -5  30 32 o 46.70893 19.11739 36.22549       83.28120 56.53839       146.3963 26.50665       101.2631 59.04834 24.85229 48.79683 20.61055 10.25151       32.28670 
1 1 1 -5  30 33 o 46.77063 19.19960 36.14301       84.31527 -46.53912      150.3795 74.05305       101.8263 50.51049 23.01571 54.98966 21.59905 -4.479172      31.56330 
1 1 1 -5  30 34 o 132.8109 12.43059 544.3781       95.69746 711.3977       152.5299 435.9550       122.8945 148.2591 17.90432 115.1012 18.85793 33.15784       26.00358 
1 1 1 -5  30 35 o 45.38855 21.10850 -76.54285      135.9180 -205.4511      146.1426 749.2086       369.8801 40.05248 19.48771 121.6460 42.32355 -81.59351      46.59457 
1 1 1 -5  30 36 o 86.15067 17.74144 246.9261       86.65257 251.9070       89.24249 164.8283       362.3132 86.83100 18.11154 79.93440 36.14580 6.896599       40.42953 
1 1 1 -5  30 37 o 106.9212 15.35812 367.8322       93.54533 356.4355       96.45242 548.3910       383.9120 104.7033 16.23244 101.5195 41.23534 3.183868       44.31530 
1 1 1 -5  30 38 o 45.11946 19.34463 19.38889       91.55823 29.68962       94.31642 -149.0403      381.3837 46.87499 19.84930 67.14541 32.38326 -20.27042      37.98250 
1 1 1 -5  30 39 o 114.5138 21.74929 460.9732       140.7277 451.8165       145.9392 582.3558       531.3508 112.3040 22.93410 95.91842 43.53274 16.38554       49.20439 
1 1 1 -5  30 40 o 78.83979 28.26440 245.6265       165.9409 0.000000       0.000000 245.6265       165.9409 ?        ?        78.83979 28.26440 0.000000       28.26440 
1 1 1 -5  31 1  o 577.2919 12.34914 9849.395       418.1027 9482.481       547.1829 10364.17       648.1234 564.4589 16.54698 588.8931 18.79001 -24.43414      25.03731 
1 1 1 -5  31 2  o 814.3563 21.26781 19913.71       1014.883 19913.71       1014.883 0.000000       0.000000 814.3563 21.26781 ?        ?        0.000000       21.26781 
1 1 1 -5  31 3  o 256.1315 20.53298 1977.496       305.8547 1977.496       305.8547 0.000000       0.000000 256.1315 20.53298 ?        ?        0.000000       20.53298 
1 1 1 -5  31 4  o 204.1575 10.90039 1233.235       130.0411 1113.959       143.7030 1772.567       305.5748 193.6826 12.72142 241.9861 21.76389 -48.30345      25.20915 
1 1 1 -5  31 5  f 433.1553 10.21906 5532.030       259.6003 5787.161       339.8665 5174.696       402.2211 442.0595 13.12376 416.8018 16.48703 25.25766       21.07261 
1 1 1 -5  31 6  o 225.7929 11.77901 1509.988       155.4409 1509.988       155.4409 0.000000       0.000000 225.7929 11.77901 ?        ?        0.000000       11.77901 
1 1 1 -5  31 7  o 235.0968 11.18353 1635.257       153.7550 1635.257       153.7550 0.000000       0.000000 235.0968 11.18353 ?        ?        0.000000       11.18353 
1 1 1 -5  31 8  o 264.3886 9.151154 2061.625       141.6817 1972.379       161.0674 2366.871       297.8790 258.3301 10.65406 281.0135 18.17176 -22.68332      21.06470 
1 1 1 -5  31 9  o 185.8660 30.58255 1089.390       321.7838 1089.390       321.7838 0.000000       0.000000 185.8660 30.58255 ?        ?        0.000000       30.58255 
1 1 1 -5  31 10 o 48.26024 24.03519 -662.1938      270.2452 -547.4978      310.8336 -1017.356      546.9748 57.25447 27.98065 73.39690 36.12181 -16.14243      45.69138 
1 1 1 -5  31 11 o 86.35930 21.62945 233.4557       109.2999 134.3047       126.5645 524.3391       216.7818 70.24681 24.73455 128.0413 29.47861 -57.79449      38.48099 
1 1 1 -5  31 12 o 344.6015 9.565568 3504.796       193.1338 3435.085       203.1433 4160.340       622.9501 341.0115 10.16877 366.0026 29.26504 -24.99106      30.98139 
1 1 1 -5  31 13 o 212.2801 16.76061 1353.408       206.9732 1433.290       343.2650 1307.777       259.4378 214.1667 27.99902 207.0131 21.69071 7.153610       35.41796 
1 1 1 -5  31 14 o 175.8863 26.35093 967.9483       263.4595 775.7139       343.8667 1241.187       409.9637 152.2805 38.49051 194.1393 37.36252 -41.85883      53.64212 
1 1 1 -5  31 15 f 315.7400 8.342488 2940.299       154.3459 3110.346       198.2599 2678.681       245.9142 324.2231 10.44015 299.7671 14.02668 24.45602       17.48555 
1 1 1 -5  31 16 o 221.9119 10.25585 1458.826       133.1150 1258.490       161.1083 1889.830       236.3086 205.3093 13.45422 250.8577 16.14785 -45.54839      21.01830 
1 1 1 -5  31 17 o 155.8509 13.51032 727.9420       122.2696 634.7598       148.8101 921.5685       214.5103 144.2284 17.98218 172.8459 21.63361 -28.61757      28.13133 
1 1 1 -5  31 18 o 341.6677 8.527456 3444.296       170.8732 3612.532       225.7725 3218.717       261.4328 349.0196 11.04378 328.4708 13.60045 20.54877       17.51963 
1 1 1 -5  31 19 o 161.7886 13.21055 784.3295       124.2583 728.7301       153.9081 888.4157       210.5831 154.7394 17.25250 169.3698 21.69777 -14.63040      27.72079 
1 1 1 -5  31 20 o 81.45487 24.32359 208.9236       125.0492 316.7854       161.3107 46.49137       197.9545 98.93475 27.03664 68.87420 28.93810 30.06055       39.60294 
1 1 1 -5  31 21 o 325.7620 9.106947 3140.294       173.8190 2848.005       234.5215 3496.564       258.9200 308.7725 12.97966 342.2073 12.92430 -33.43478      18.31691 
1 1 1 -5  31 22 o 230.2211 10.32838 1575.485       139.0980 1495.974       188.9715 1669.508       205.4941 222.8506 14.53816 235.2851 14.96967 -12.43452      20.86742 
1 1 1 -5  31 23 o 46.70335 20.67247 -26.03405      111.9016 -95.30723      161.9255 37.29233       154.8192 51.30328 23.56643 60.94788 25.59876 -9.644596      34.79473 
1 1 1 -5  31 24 o 165.5246 11.45720 821.8226       110.5359 746.2759       160.2376 890.4103       152.6790 155.1946 17.93466 170.8242 15.40516 -15.62959      23.64256 
1 1 1 -5  31 25 o 158.1454 12.80214 756.8245       117.7237 812.9740       161.9983 693.9907       171.3698 161.9281 17.32743 148.0229 20.27240 13.90527       26.66852 
1 1 1 -5  31 26 o 80.14199 20.27778 209.3293       95.36829 454.7303       142.0693 8.045589       128.6668 118.5121 21.21953 52.74174 22.77555 65.77040       31.12867 
1 1 1 -5  31 27 o 144.5226 11.34074 631.0714       95.35367 651.1783       143.0150 614.9796       127.9415 144.1241 17.26279 140.7606 15.76887 3.363510       23.38079 
1 1 1 -5  31 28 o 116.0759 13.64919 415.1205       91.14420 520.4756       143.1579 343.3049       118.1945 127.0268 19.86670 102.4654 20.38589 24.56144       28.46525 
1 1 1 -5  31 29 o 225.0676 8.629717 1511.706       113.6985 1358.686       166.5247 1645.336       155.6168 210.6810 13.54913 233.3212 11.40697 -22.64023      17.71151 
1 1 1 -5  31 30 o 159.0473 10.47972 764.2143       97.20751 698.9229       154.9703 806.5689       124.8162 147.7686 18.27079 162.0170 13.25156 -14.24844      22.57046 
1 1 1 -5  31 31 o 120.7064 13.14284 450.9371       91.53935 537.8837       153.9538 403.3878       113.8508 126.8894 21.45160 111.6091 18.00610 15.28029       28.00698 
1 1 1 -5  31 32 o 108.5786 14.85656 372.0012       92.12636 370.3507       153.3938 372.9324       115.2214 101.7356 25.70376 106.3509 19.17861 -4.615295      32.07027 
1 1 1 -5  31 33 o 104.9891 15.78292 352.4989       94.17680 322.6878       159.2207 368.5409       116.7990 93.33807 27.33824 105.1240 19.66743 -11.78591      33.67769 
1 1 1 -5  31 34 o 96.59230 17.04688 304.8732       93.03990 342.4561       161.5416 286.2179       113.8124 95.40406 27.41848 90.81052 21.67223 4.593536       34.94937 
1 1 1 -5  31 35 o 113.2806 23.38850 454.3455       150.2345 432.4366       162.7813 580.2551       390.2325 108.2087 25.97945 104.4992 41.88124 3.709518       49.28458 
1 1 1 -5  31 36 o 57.20070 20.48268 103.1400       87.11858 106.3382       89.24959 38.55532       401.0654 57.91635 20.73252 75.47365 35.47421 -17.55730      41.08841 
1 1 1 -5  31 37 o 112.6381 14.80245 406.8207       95.42011 388.4312       97.74885 779.0367       439.7675 109.4856 15.66938 111.5781 44.54708 -2.092514      47.22258 
1 1 1 -5  31 38 o 54.65421 21.47742 81.90121       100.7237 86.71626       103.6057 -1.054833      430.0381 55.64583 21.80779 73.81155 35.27821 -18.16572      41.47448 
1 1 1 -5  31 39 o 112.6981 22.63051 455.7524       144.3754 508.2013       151.6060 -55.08741      473.1412 119.2964 22.49368 73.17538 35.47848 46.12103       42.00819 
1 1 1 -5  32 1  o 374.2684 12.20483 4146.144       267.5372 3637.046       329.1534 5137.261       459.2617 349.2937 16.11122 413.9992 18.96555 -64.70551      24.88500 
1 1 1 -5  32 2  o 395.3826 11.77735 4623.899       272.7917 5023.357       377.9393 4189.456       394.1422 410.7573 15.71767 374.1680 18.01414 36.58929       23.90721 
1 1 1 -5  32 3  o 145.5323 33.62452 684.3597       281.2204 684.3597       281.2204 0.000000       0.000000 145.5323 33.62452 ?        ?        0.000000       33.62452 
1 1 1 -5  32 4  o 110.9119 17.99822 376.2698       113.0640 365.7953       121.7692 441.7698       304.5031 108.8881 19.79710 118.3606 38.38191 -9.472549      43.18676 
1 1 1 -5  32 5  o 344.7758 9.771383 3507.950       197.3809 3643.261       243.7536 3250.255       336.3871 350.8443 11.86346 329.5628 17.46643 21.28146       21.11440 
1 1 1 -5  32 6  o 242.9470 22.17450 1794.970       312.4689 1794.970       312.4689 0.000000       0.000000 242.9470 22.17450 ?        ?        0.000000       22.17450 
1 1 1 -5  32 7  o 264.7576 9.046641 2068.113       140.2645 2088.573       157.9386 1991.739       305.1488 265.8568 10.14818 256.6238 20.44404 9.232971       22.82421 
1 1 1 -5  32 8  o 348.4879 8.567859 3577.501       175.1098 3617.540       205.1102 3469.871       336.2921 350.0032 10.00254 340.5779 16.88910 9.425323       19.62887 
1 1 1 -5  32 9  o 284.5946 8.993713 2389.689       149.9238 2281.123       171.4247 2742.875       309.1916 277.7281 10.54369 302.4110 17.50816 -24.68286      20.43783 
1 1 1 -5  32 10 o 68.90453 23.15352 136.7208       110.4865 87.50079       126.4815 295.2416       226.9861 63.42983 24.30208 98.69664 33.18672 -35.26681      41.13331 
1 1 1 -5  32 11 o 319.7841 8.390786 3015.348       157.2297 2793.632       184.8188 3596.169       299.1357 307.3697 10.26702 347.3047 14.71950 -39.93506      17.94646 
1 1 1 -5  32 12 o 330.5092 8.119600 3218.639       157.3869 3469.816       199.9708 2809.784       255.1298 342.6074 9.962787 306.9791 14.20960 35.62830       17.35424 
1 1 1 -5  32 13 o 102.2354 20.21522 326.2021       116.9112 309.2458       137.8196 369.7173       220.7832 98.65698 24.04262 107.0942 32.39719 -8.437218      40.34384 
1 1 1 -5  32 14 o 214.7735 11.92605 1371.948       149.6302 1371.948       149.6302 0.000000       0.000000 214.7735 11.92605 ?        ?        0.000000       11.92605 
1 1 1 -5  32 15 o 104.8024 35.09383 346.9006       253.8465 133.6835       321.9675 697.1690       412.6687 90.34216 37.34588 141.4072 44.55965 -51.06508      58.14015 
1 1 1 -5  32 16 o 132.5569 15.69607 532.9572       119.6586 575.5077       141.4782 426.0331       224.2721 137.1208 18.02921 113.7704 32.17974 23.35037       36.88615 
1 1 1 -5  32 17 o 111.9138 19.45863 389.4445       123.0822 389.8198       147.8259 388.5964       222.2298 110.7204 23.49350 108.8237 32.40862 1.896660       40.02828 
1 1 1 -5  32 18 o 115.8110 19.08663 416.1786       125.1250 418.2131       152.4410 411.9777       219.0554 114.6607 23.46060 111.6075 31.88199 3.053162       39.58360 
1 1 1 -5  32 19 o 230.7553 10.58372 1582.184       142.8508 1568.429       181.3183 1604.693       231.9483 228.7854 13.57436 229.8970 17.33074 -1.111649      22.01403 
1 1 1 -5  32 20 o 181.1703 13.11134 985.2393       138.3682 928.1640       176.6360 1075.890       222.6080 174.2438 17.52275 186.2715 20.72784 -12.02774      27.14204 
1 1 1 -5  32 21 o 88.46436 23.04557 252.6836       120.7416 291.5606       159.8829 201.0841       184.1953 94.29032 27.33194 82.69450 29.76216 11.59582       40.40818 
1 1 1 -5  32 22 o 139.2601 14.47491 590.3321       116.4978 560.0634       153.9905 630.8394       178.1412 133.2935 20.34195 140.6666 22.33946 -7.373077      30.21335 
1 1 1 -5  32 23 o 360.6310 8.703269 3857.280       184.0755 4078.427       275.2633 3678.383       247.5765 368.2339 12.76531 350.1513 12.07406 18.08255       17.57089 
1 1 1 -5  32 24 o 76.92317 21.10657 192.7356       98.08061 183.9548       143.7995 200.3740       134.1197 76.45115 26.40051 78.53986 25.47313 -2.088707      36.68606 
1 1 1 -5  32 25 f 141.2864 12.18680 605.3996       99.99516 566.6675       144.4371 641.0510       138.5741 133.6069 18.96539 143.3584 16.80029 -9.751511      25.33645 
1 1 1 -5  32 26 o 133.4654 12.31869 542.1466       95.33624 521.5743       142.2443 558.9246       128.4588 127.4366 19.66421 133.5252 16.77320 -6.088547      25.84610 
1 1 1 -5  32 27 o 81.52593 18.37971 215.8837       85.77250 318.8150       135.8361 147.6287       110.6137 96.80879 24.03595 68.22262 23.16631 28.58617       33.38270 
1 1 1 -5  32 28 o 130.2093 12.29116 518.1551       92.75041 337.8890       142.0333 652.1788       122.4684 99.04199 24.57097 145.0631 14.59324 -46.02109      28.57788 
1 1 1 -5  32 29 o 195.1201 9.381581 1142.980       107.0420 1136.260       162.2590 1148.157       142.4320 191.4606 14.55954 193.7713 12.60172 -2.310715      19.25574 
1 1 1 -5  32 30 o 38.63002 17.22410 -19.11815      79.12152 -27.34756      141.0779 -15.34195      95.56579 50.51686 22.72495 42.88663 19.03714 7.630238       29.64517 
1 1 1 -5  32 31 o 34.90733 16.32137 -66.92719      83.02758 -37.33120      151.7875 -79.56338      99.18083 51.30988 23.27919 37.88910 17.75525 13.42078       29.27746 
1 1 1 -5  32 32 o 39.26439 17.68024 -26.24345      85.62997 -110.0526      154.2153 11.11431       102.9608 46.63932 21.94512 46.93637 20.32126 -0.2970543     29.90889 
1 1 1 -5  32 33 o 106.2649 15.99683 363.7633       96.60654 569.2521       171.3917 268.0761       116.9560 127.1885 23.85292 87.17441 22.66746 40.01413       32.90556 
1 1 1 -5  32 34 o 114.2191 15.45385 418.6466       100.8670 439.6375       168.9260 407.0157       125.7442 108.3536 26.74672 109.3164 20.36240 -0.9627991     33.61569 
1 1 1 -5  32 35 o 40.18750 18.50487 -49.31981      100.6793 66.29556       157.0464 -129.9897      131.1826 59.53673 25.42597 40.81403 19.50092 18.72270       32.04319 
1 1 1 -5  32 36 f 115.0493 14.48422 422.8636       95.56922 434.4184       98.32521 225.3684       406.5005 116.4750 14.72232 81.97047 37.53657 34.50454       40.32048 
1 1 1 -5  32 37 o 122.6400 15.90939 488.6799       111.7349 472.3755       115.0415 760.1399       469.4135 119.8883 16.82400 106.8465 44.70518 13.04180       47.76610 
1 1 1 -5  32 38 o 39.73868 18.63143 -74.23823      109.4464 -57.39767      112.5241 -369.5304      471.1867 41.60526 19.30007 65.73939 32.56831 -24.13412      37.85747 
1 1 1 -5  33 1  o 305.1977 9.453354 2749.585       169.0027 2749.585       169.0027 0.000000       0.000000 305.1977 9.453354 ?        ?        0.000000       9.453354 
1 1 1 -5  33 2  o 168.9903 12.84980 851.0156       126.3981 851.0156       126.3981 0.000000       0.000000 168.9903 12.84980 ?        ?        0.000000       12.84980 
1 1 1 -5  33 3  o 319.6103 10.08876 3018.163       188.8709 3038.301       221.4619 2964.445       361.6986 320.2305 11.81220 313.4246 19.77805 6.805939       23.03691 
1 1 1 -5  33 4  o 172.9134 13.54391 892.5383       136.2531 892.5383       136.2531 0.000000       0.000000 172.9134 13.54391 ?        ?        0.000000       13.54391 
1 1 1 -5  33 5  o 209.6519 11.07080 1302.986       135.6395 1279.801       147.9950 1424.708       339.0965 207.5294 12.21353 213.4957 27.73726 -5.966339      30.30719 
1 1 1 -5  33 6  o 246.2029 9.345549 1790.635       134.6974 1748.652       149.0001 1978.356       315.0715 243.0658 10.47691 255.0270 21.25871 -11.96118      23.70017 
1 1 1 -5  33 7  o 227.1892 10.03230 1527.207       133.3419 1576.447       150.7060 1349.704       286.1377 230.5830 11.17760 209.2431 23.73588 21.33986       26.23606 
1 1 1 -5  33 8  o 270.3271 9.293863 2158.899       147.1262 2278.464       168.8240 1781.372       299.9900 277.4652 10.39306 241.6193 21.39096 35.84592       23.78211 
1 1 1 -5  33 9  o 156.5883 13.33065 733.6864       121.2597 581.9174       134.7672 1378.974       277.8878 138.4156 16.95521 211.6949 22.73850 -73.27937      28.36403 
1 1 1 -5  33 10 o 65.86602 31.18324 -318.9625      320.3062 -318.9625      320.3062 0.000000       0.000000 65.86602 31.18324 ?        ?        0.000000       31.18324 
1 1 1 -5  33 11 o 220.3270 10.08597 1437.989       129.9818 1497.056       149.9529 1259.483       260.6803 224.4985 11.42672 202.1690 22.35905 22.32953       25.10970 
1 1 1 -5  33 12 o 196.4623 11.29607 1147.382       129.6052 1206.163       151.1729 984.3335       251.7753 201.0428 12.88928 177.2859 24.90063 23.75682       28.03881 
1 1 1 -5  33 13 o 262.0607 14.73159 2057.125       225.5018 1917.674       331.2439 2177.579       307.8546 249.3082 22.91082 267.4363 19.76768 -18.12804      30.25998 
1 1 1 -5  33 14 o 194.1714 24.64274 1179.647       274.3122 1010.197       337.9654 1506.811       469.6052 174.5662 34.23507 210.4962 39.48998 -35.92996      52.26374 
1 1 1 -5  33 15 o 147.9539 14.25928 659.4374       122.1989 459.5490       141.5606 1243.920       242.0664 121.3709 20.62464 201.0935 20.82624 -79.72262      29.31055 
1 1 1 -5  33 16 o 80.50152 23.09945 204.9601       114.7426 250.4650       134.2458 81.58695       221.0460 88.48678 24.85121 74.86756 30.94607 13.61922       39.68931 
1 1 1 -5  33 17 o 166.3033 25.37762 879.6235       239.6877 0.000000       0.000000 879.6235       239.6877 ?        ?        166.3033 25.37762 0.000000       25.37762 
1 1 1 -5  33 18 o 94.96664 23.00104 290.0952       126.7331 330.0919       153.9555 206.0228       223.2080 100.5985 25.93066 86.43092 32.47456 14.16757       41.55714 
1 1 1 -5  33 19 o 42.03057 19.66810 -108.1653      120.9804 -127.0728      148.2594 -70.48682      209.2921 46.61707 21.80086 61.04281 27.54992 -14.42574      35.13226 
1 1 1 -5  33 20 o 174.0910 12.38210 911.0434       125.5965 895.4175       155.9688 939.8667       211.8295 171.3256 15.69687 172.8238 21.35302 -1.498199      26.50176 
1 1 1 -5  33 21 o 112.4255 17.96462 396.4660       114.4644 278.6470       146.3132 582.3285       183.7689 91.52549 26.02699 133.5827 24.35398 -42.05720      35.64436 
1 1 1 -5  33 22 o 135.6019 13.67568 560.8157       107.2748 620.9094       136.9963 465.5620       172.4785 141.3980 16.85140 117.9465 25.66543 23.45152       30.70316 
1 1 1 -5  33 23 o 160.4212 11.96898 777.9726       111.7965 692.4939       154.4689 871.9995       162.0086 148.4670 18.11494 167.5956 16.70482 -19.12859      24.64147 
1 1 1 -5  33 24 o 120.6069 14.60021 449.5985       101.1720 175.3931       137.0502 777.9833       149.9799 74.27681 25.76729 158.1199 16.41162 -83.84306      30.54988 
1 1 1 -5  33 25 o 196.1935 9.497473 1152.174       108.9560 1219.270       152.3439 1081.917       155.8914 200.0558 13.05578 187.7230 14.26654 12.33281       19.33875 
1 1 1 -5  33 26 o 91.22970 18.03995 268.6904       93.09985 388.4395       137.8740 168.3260       126.2223 107.7518 22.54304 72.16749 24.74158 35.58433       33.47140 
1 1 1 -5  33 27 f 91.70310 17.34450 270.8817       89.86554 400.0702       136.1721 171.2066       119.6106 109.3204 22.00162 72.03676 24.08910 37.28362       32.62447 
1 1 1 -5  33 28 o 51.52837 19.97415 64.51440       86.15784 8.939157       138.1667 99.87473       110.2100 53.29123 23.29978 59.94564 22.75298 -6.654415      32.56651 
1 1 1 -5  33 29 o 194.7395 9.552805 1141.882       108.7698 1058.671       158.0471 1216.758       149.9217 184.2028 14.75309 198.9177 12.92103 -14.71489      19.61139 
1 1 1 -5  33 30 o 197.6984 9.573707 1178.521       110.6728 1271.588       170.0779 1110.171       145.7527 201.8934 14.45974 189.5443 13.19396 12.34912       19.57459 
1 1 1 -5  33 31 o 151.8655 11.69378 707.9240       103.3498 725.4392       168.5571 697.3724       130.8273 147.7731 19.95899 148.4601 15.24205 -0.6870575     25.11337 
1 1 1 -5  33 32 o 109.4485 15.70189 384.6216       97.90616 406.6679       165.7120 372.7990       121.3508 104.3989 26.89853 104.6933 20.49785 -0.2943954     33.81853 
1 1 1 -5  33 33 o 76.21014 21.40450 203.5359       99.58727 217.9322       170.0857 196.0259       122.8466 77.00433 28.46170 73.96056 24.40302 3.043770       37.49102 
1 1 1 -5  33 34 o 46.02782 19.93674 13.85101       99.18985 41.41956       174.4391 0.6780334      120.5810 59.22728 26.02925 48.42738 21.44622 10.79991       33.72628 
1 1 1 -5  33 35 o 56.13605 22.12130 86.95972       107.1148 267.0370       178.0120 -15.24957      134.1112 82.02470 29.28957 48.98699 22.08618 33.03770       36.68349 
1 1 1 -5  33 36 o 132.7007 15.27140 567.1859       116.6865 544.3075       120.0812 954.7485       494.2340 129.2749 16.19260 116.2698 46.94566 13.00520       49.65979 
1 1 1 -5  33 37 o 57.78825 22.94325 95.65511       116.0180 68.00805       119.4355 558.1238       488.4837 54.71216 22.69322 94.12456 42.31867 -39.41240      48.01929 
1 1 1 -5  34 1  o 107.4865 34.63943 368.2918       248.2554 368.2918       248.2554 0.000000       0.000000 107.4865 34.63943 ?        ?        0.000000       34.63943 
1 1 1 -5  34 2  o 150.9455 13.64432 682.8533       119.4847 622.3696       126.4825 1184.527       364.2690 143.6580 15.24485 190.7041 33.80717 -47.04610      37.08545 
1 1 1 -5  34 3  o 290.7779 10.63770 2504.138       181.1036 2589.564       206.1852 2215.700       378.8696 295.3292 11.92876 267.8913 24.38150 27.43793       27.14319 
1 1 1 -5  34 4  o 503.6454 10.97991 7507.659       324.3204 7254.974       395.6497 8025.201       566.2317 493.6585 13.67894 515.8563 18.74726 -22.19785      23.20718 
1 1 1 -5  34 5  o 458.1792 11.65620 6225.282       312.9608 5844.149       405.2701 6788.331       492.5834 441.9407 15.66091 475.0331 17.71196 -33.09241      23.64271 
1 1 1 -5  34 6  o 274.8007 10.24959 2235.940       164.8971 2201.222       189.5223 2344.102       334.5216 272.2001 11.90070 277.3423 20.71602 -5.142242      23.89101 
1 1 1 -5  34 7  o 219.7578 10.25963 1431.254       131.8639 1428.941       144.1275 1443.136       326.6751 219.3484 11.24120 214.4640 26.53802 4.884430       28.82068 
1 1 1 -5  34 8  o 160.0524 13.05254 766.5889       121.4573 768.4373       133.9243 758.0247       288.2751 159.8909 14.43725 151.4789 33.35349 8.412064       36.34404 
1 1 1 -5  34 9  o 223.0323 26.28974 1560.972       337.2790 1560.972       337.2790 0.000000       0.000000 223.0323 26.28974 ?        ?        0.000000       26.28974 
1 1 1 -5  34 10 o 202.4857 12.50115 1222.959       147.7312 1222.959       147.7312 0.000000       0.000000 202.4857 12.50115 ?        ?        0.000000       12.50115 
1 1 1 -5  34 11 o 136.9674 15.32338 568.0472       120.9828 416.9580       135.7066 1153.177       267.0610 115.4765 20.80317 192.1018 24.24322 -76.62531      31.94535 
1 1 1 -5  34 12 f 96.68256 20.80000 294.8758       114.4389 240.9512       126.1111 546.3989       272.3634 86.98096 23.95990 127.2548 35.27244 -40.27383      42.64061 
1 1 1 -5  34 13 o 131.7167 17.08581 530.7094       128.8786 545.2834       132.8909 300.2345       528.4672 133.4420 17.39417 114.3568 47.60908 19.08527       50.68710 
1 1 1 -5  34 14 o 181.3234 12.15505 982.5121       128.5125 789.5221       147.1225 1603.874       263.9879 161.3932 15.74322 228.6390 19.88473 -67.24585      25.36241 
1 1 1 -5  34 15 o 203.2579 11.10973 1230.804       131.9310 1111.880       153.9388 1559.822       256.0485 192.3522 13.73626 225.3721 19.56555 -33.01991      23.90597 
1 1 1 -5  34 16 o 68.50409 24.07087 134.1445       119.8192 -70.66209      140.8146 671.4775       228.0853 49.09116 22.33117 143.0855 28.18328 -93.99437      35.95801 
1 1 1 -5  34 17 o 148.6845 14.84592 671.6627       127.7275 722.9661       154.1223 559.1556       228.2348 153.3272 17.44951 128.6660 30.67956 24.66124       35.29477 
1 1 1 -5  34 18 o 141.5321 14.97658 611.2070       122.4297 723.2250       148.9817 378.2182       214.8605 153.3276 16.84478 105.1638 31.99022 48.16380       36.15413 
1 1 1 -5  34 19 o 299.2141 15.19792 2721.865       265.8227 2888.868       394.0905 2582.452       360.0691 302.1371 22.39966 286.3284 21.60159 15.80865       31.11870 
1 1 1 -5  34 20 o 119.6300 19.34679 454.3867       131.1064 618.1163       148.4190 -127.1708      279.7190 140.3204 18.48415 66.18700 30.60756 74.13345       35.75592 
1 1 1 -5  34 21 o 77.33169 22.71898 196.3681       109.8173 282.8160       136.0845 34.96194       185.9480 91.68519 24.74005 63.97519 27.50072 27.71000       36.99135 
1 1 1 -5  34 22 o 99.19196 18.79132 316.0683       105.3155 262.8671       129.0905 421.9489       182.1134 88.31988 24.20665 109.9746 28.12708 -21.65472      37.10922 
1 1 1 -5  34 23 o 281.9173 8.161548 2363.925       134.7992 2250.391       174.5563 2531.662       212.1712 273.5484 10.90238 289.0070 12.54769 -15.45853      16.62247 
1 1 1 -5  34 24 o 95.33843 19.03934 295.1650       102.7271 372.7817       132.9763 180.2847       161.7779 105.8237 22.13849 75.73939 27.79858 30.08428       35.53694 
1 1 1 -5  34 25 o 159.9645 11.01323 774.3265       102.6905 920.6015       149.0939 642.3026       141.6449 172.3515 14.89615 142.4070 17.31517 29.94447       22.84098 
1 1 1 -5  34 26 o 94.62176 17.29380 288.6293       92.43391 122.3279       139.4703 418.8908       123.4360 65.99822 25.45902 113.3252 19.26087 -47.32698      31.92402 
1 1 1 -5  34 27 o 75.54554 20.57131 192.4064       93.58026 265.2462       140.4702 134.2834       125.4798 86.36385 25.77748 66.10831 24.44420 20.25553       35.52460 
1 1 1 -5  34 28 o 161.2417 11.33023 792.7065       106.4616 693.5873       165.9016 862.0995       138.8129 145.1003 20.02903 166.2921 14.37437 -21.19177      24.65328 
1 1 1 -5  34 29 o 42.56755 18.62037 -1.891384      88.33752 -139.0178      145.5308 78.10968       111.1583 43.49651 20.71496 56.48165 22.44689 -12.98514      30.54460 
1 1 1 -5  34 30 o 151.6692 12.01156 708.4098       105.9715 770.9705       167.4839 666.6431       136.8477 152.9843 19.08069 144.1433 16.48405 8.841003       25.21501 
1 1 1 -5  34 31 o 150.1487 12.20907 697.0240       106.5844 556.0729       163.2454 801.7567       140.7174 126.2666 22.88711 158.8450 15.29393 -32.57842      27.52679 
1 1 1 -5  34 32 o 105.3528 16.62634 362.1578       99.32584 286.0702       157.5144 412.3849       127.9771 86.40989 27.56652 109.7316 20.64357 -23.32170      34.43937 
1 1 1 -5  34 33 o 79.87397 21.07298 224.1047       100.1256 2.218488       168.0818 346.1497       124.6567 55.35693 24.86151 99.06228 22.02637 -43.70535      33.21529 
1 1 1 -5  34 34 o 127.9320 14.91986 524.8340       109.8435 803.3268       194.5290 394.4727       133.0919 150.9362 22.67592 105.3987 22.23171 45.53747       31.75605 
1 1 1 -5  34 35 o 80.53557 22.63629 235.4316       111.3356 -18.00330      191.1156 365.6236       136.9794 56.25824 25.75307 99.96018 23.72371 -43.70194      35.01478 
1 1 1 -5  34 36 o 56.04734 22.49605 85.08424       112.7640 70.80993       116.5015 296.9088       448.7891 54.66042 22.51721 83.46287 38.65707 -28.80245      44.73694 
1 1 1 -5  35 1  o 59.47993 23.62179 64.00913       123.0160 64.00913       123.0160 0.000000       0.000000 59.47993 23.62179 ?        ?        0.000000       23.62179 
1 1 1 -5  35 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  35 3  o 317.7731 10.14377 2990.203       188.8036 2741.842       211.2442 3976.387       420.9414 303.7234 11.88214 361.6432 19.92380 -57.91977      23.19791 
1 1 1 -5  35 4  o 176.7299 13.23203 934.6843       136.1515 934.6843       136.1515 0.000000       0.000000 176.7299 13.23203 ?        ?        0.000000       13.23203 
1 1 1 -5  35 5  o 69.57113 24.92765 131.7263       129.0540 161.6236       140.3345 -32.13159      328.5358 75.00807 26.07120 80.14449 35.45059 -5.136421      44.00513 
1 1 1 -5  35 6  o 97.63449 21.37475 301.1801       118.9908 285.6279       129.0214 389.6957       307.8044 94.63378 23.38399 110.6831 38.60279 -16.04932      45.13298 
1 1 1 -5  35 7  o 196.6207 11.53172 1150.982       132.3924 1305.972       146.9664 483.7269       304.9378 209.3496 12.02057 120.0699 38.36098 89.27965       40.20024 
1 1 1 -5  35 8  o 356.0212 9.948750 3753.379       207.5243 3753.379       207.5243 0.000000       0.000000 356.0212 9.948750 ?        ?        0.000000       9.948750 
1 1 1 -5  35 9  f 202.1326 11.27985 1216.090       133.1878 1092.841       144.4448 1915.638       344.1270 191.1232 12.96331 248.0060 23.95743 -56.88284      27.23978 
1 1 1 -5  35 10 o 257.3501 9.906790 1963.524       149.2437 1993.777       168.9254 1855.920       318.5886 258.9530 11.14916 244.7509 22.44467 14.20212       25.06127 
1 1 1 -5  35 11 o 157.5034 15.23116 751.0341       138.9398 690.3729       143.0240 1767.901       585.5789 150.5502 16.46685 219.6969 46.87684 -69.14674      49.68496 
1 1 1 -5  35 12 o 218.4704 11.47635 1423.009       146.5282 1421.301       151.4752 1447.883       578.0706 218.2106 11.88110 193.9180 50.37986 24.29259       51.76187 
1 1 1 -5  35 13 o 158.1828 13.86818 754.9256       127.3556 713.0568       142.1081 925.7540       287.0472 152.9632 16.08119 167.3447 30.36561 -14.38155      34.36095 
1 1 1 -5  35 14 o 104.2068 21.09906 345.7398       124.5184 271.4604       135.9997 730.7816       309.6403 91.34229 24.76859 144.2023 36.56645 -52.86002      44.16546 
1 1 1 -5  35 15 o 93.41367 23.02414 283.4428       125.3168 233.1923       132.6684 699.5300       381.7590 84.76750 24.98910 136.4344 42.83996 -51.66689      49.59554 
1 1 1 -5  35 16 o 244.9676 9.588385 1785.209       137.4881 1798.800       165.6927 1755.167       246.3530 245.1100 11.55891 238.8362 17.71372 6.273819       21.15146 
1 1 1 -5  35 17 o 99.12741 21.90725 319.6171       123.9650 256.2667       136.2322 624.6169       298.9199 87.94375 25.14905 130.1296 37.26563 -42.18584      44.95778 
1 1 1 -5  35 18 o 129.2315 15.77174 516.5443       117.0624 385.0688       141.3900 803.0937       208.7354 108.2233 22.98699 157.2593 23.33933 -49.03597      32.75860 
1 1 1 -5  35 19 o 49.76408 21.39542 8.659296       112.5854 -127.2816      135.4368 312.6847       202.5427 43.33596 20.44447 94.79137 31.33678 -51.45541      37.41618 
1 1 1 -5  35 20 o 136.6049 15.36082 577.8505       120.9338 679.3043       147.1810 367.0074       212.1766 147.1910 17.38492 101.0389 31.96604 46.15211       36.38767 
1 1 1 -5  35 21 o 195.9107 11.70614 1160.335       133.8867 1055.503       151.2859 1539.064       287.5522 185.6232 14.00002 217.0438 22.93669 -31.42056      26.87178 
1 1 1 -5  35 22 o 89.34116 21.73303 266.3633       112.7681 324.1082       148.2512 187.0781       173.7150 96.80905 25.68940 77.27409 28.72614 19.53497       38.53747 
1 1 1 -5  35 23 o 95.89075 18.51230 298.0084       100.3385 238.8505       133.7081 374.2678       151.8092 83.36278 25.21039 104.0693 25.15411 -20.70647      35.61310 
1 1 1 -5  35 24 o 109.8491 17.28916 386.1121       107.7064 449.0013       141.7757 300.2786       165.6312 116.0937 21.61825 91.41690 28.14085 24.67681       35.48600 
1 1 1 -5  35 25 o 154.7951 11.72322 731.2233       105.6365 706.5345       152.8920 753.7744       146.1228 148.3884 17.93172 154.3849 16.38854 -5.996567      24.29261 
1 1 1 -5  35 26 o 117.4018 14.65586 432.9020       98.71879 367.7152       141.6048 494.5399       137.6962 102.6625 23.95809 122.4371 19.85552 -19.77468      31.11642 
1 1 1 -5  35 27 o 136.5370 13.48444 579.4868       106.5694 702.1646       166.1437 493.7305       138.9101 145.8433 19.94646 121.8582 20.13988 23.98509       28.34566 
1 1 1 -5  35 28 o 84.12268 19.84935 239.6220       96.33734 312.5598       150.7922 189.3204       125.2256 92.16017 26.49187 73.69016 24.64813 18.47001       36.18494 
1 1 1 -5  35 29 o 225.0848 9.890280 1534.410       130.2398 1394.364       192.6227 1652.354       176.7704 209.4681 15.79615 230.8525 13.11032 -21.38445      20.52800 
1 1 1 -5  35 30 o 64.67159 21.49500 141.5721       95.26325 177.0385       162.4637 122.9882       117.6023 72.01470 27.55489 62.67048 23.56668 9.344219       36.25824 
1 1 1 -5  35 31 o 49.05114 20.00467 49.22295       90.79277 75.40482       157.0369 36.07669       111.2763 60.43103 25.60210 50.60286 21.49947 9.828178       33.43195 
1 1 1 -5  35 32 f 121.0286 15.04053 469.7668       104.4617 425.6997       172.4828 495.2932       131.2758 104.8678 27.65425 121.3374 19.07646 -16.46964      33.59567 
1 1 1 -5  35 33 o 104.8914 17.11054 364.0699       101.6325 534.4978       178.5251 282.3517       123.6200 119.1183 26.26247 87.73873 23.53836 31.37955       35.26715 
1 1 1 -5  35 34 o 100.5213 18.94512 343.8918       107.5923 254.3454       185.3401 389.4068       132.1365 79.87696 29.67594 104.4796 22.24712 -24.60268      37.08903 
1 1 1 -5  36 1  o 127.0368 16.02102 491.8731       116.7140 420.6560       123.2550 1109.932       363.1010 116.5375 18.66344 181.7763 35.33268 -65.23875      39.95900 
1 1 1 -5  36 2  o 151.4548 15.99023 696.2037       139.8911 689.0625       152.3127 734.7060       353.6677 150.1275 17.63505 144.7354 40.22259 5.392151       43.91869 
1 1 1 -5  36 3  o 263.5309 18.99360 2117.515       291.5857 2117.515       291.5857 0.000000       0.000000 263.5309 18.99360 ?        ?        0.000000       18.99360 
1 1 1 -5  36 4  f 194.0010 11.39318 1121.441       129.0576 1059.478       138.6754 1522.238       352.6908 188.2011 12.63722 218.0633 28.24047 -29.86220      30.93903 
1 1 1 -5  36 5  o 271.5381 10.73339 2190.420       170.5932 2232.369       195.3851 2055.870       349.9210 273.6144 12.20666 256.8726 23.48708 16.74185       26.46970 
1 1 1 -5  36 6  o 313.7688 10.45222 2922.411       192.0711 2999.071       226.8962 2728.581       360.7888 317.1592 12.22117 297.8879 20.78174 19.27130       24.10887 
1 1 1 -5  36 7  o 226.0123 10.50252 1518.430       138.8313 1425.815       151.9283 1987.187       341.8002 218.5761 11.89668 252.2842 23.36653 -33.70815      26.22071 
1 1 1 -5  36 8  o 135.5745 17.33639 564.5555       134.6939 564.5555       134.6939 0.000000       0.000000 135.5745 17.33639 ?        ?        0.000000       17.33639 
1 1 1 -5  36 9  o 288.5319 9.271914 2467.276       156.6930 2414.108       172.6284 2716.029       373.3959 285.0350 10.34390 295.9669 21.66178 -10.93188      24.00477 
1 1 1 -5  36 10 o 42.42219 19.62741 -84.91098      115.2338 -107.0430      123.7479 59.52465       316.1294 42.74648 19.96670 82.75173 35.71724 -40.00526      40.91931 
1 1 1 -5  36 11 o 107.4182 20.37811 365.7361       123.6830 370.6193       127.6529 290.8689       499.8325 107.9523 20.91820 108.8377 45.87085 -0.8854446     50.41533 
1 1 1 -5  36 12 o 62.17890 23.34270 97.81511       115.2734 8.288083       129.0244 451.9429       256.6107 53.45815 22.94269 113.6945 35.03213 -60.23640      41.87621 
1 1 1 -5  36 13 o 102.5821 20.96692 337.8695       121.8779 307.2537       126.3332 749.1086       463.0121 97.15225 22.59987 136.6486 47.36378 -39.49637      52.47935 
1 1 1 -5  36 14 o 73.32144 22.79000 171.5749       108.3267 103.3398       120.7881 452.0271       244.8778 63.31924 23.86791 112.7500 34.12157 -49.43076      41.64083 
1 1 1 -5  36 15 o 50.93196 21.75826 13.15913       115.0732 -28.13310      129.4205 169.0353       251.4541 49.67229 22.09553 82.67280 33.44783 -33.00050      40.08703 
1 1 1 -5  36 16 o 60.92461 23.19214 94.33220       114.7114 97.43818       131.8853 84.68163       232.4737 63.44525 24.67948 73.56075 31.15680 -10.11550      39.74698 
1 1 1 -5  36 17 o 161.6492 12.93365 794.3279       121.5933 721.9384       142.2998 990.1943       234.0701 152.5654 16.14852 174.0298 23.53634 -21.46437      28.54355 
1 1 1 -5  36 18 o 93.77826 21.77487 291.0674       117.4550 271.1111       143.4631 331.6378       204.5527 89.10342 25.90862 96.54150 31.46923 -7.438072      40.76235 
1 1 1 -5  36 19 o 292.9049 8.804583 2557.714       151.0750 2779.414       193.2533 2209.304       242.2639 304.0607 10.85459 267.6263 15.50144 36.43433       18.92397 
1 1 1 -5  36 20 o 106.7719 19.26701 369.0164       116.2102 331.1067       138.3998 459.6341       213.9770 98.59757 24.13295 111.8552 31.36071 -13.25767      39.57137 
1 1 1 -5  36 21 o 103.7219 18.93477 348.8022       110.9382 259.1728       135.5721 530.4554       193.0042 86.63477 25.18462 122.7692 27.49096 -36.13445      37.28295 
1 1 1 -5  36 22 o 71.46091 23.27631 169.3226       111.9188 -82.63323      145.8769 529.8276       174.4937 47.63039 22.05330 124.1551 24.83238 -76.52467      33.21138 
1 1 1 -5  36 23 o 100.4297 20.39385 335.8385       116.0135 475.7293       146.5497 101.0061       189.8756 119.0886 21.78539 68.15670 28.46868 50.93192       35.84785 
1 1 1 -5  36 24 o 159.7809 25.08737 884.7717       227.3515 593.3478       308.0397 1233.462       336.9487 116.5530 38.64980 179.4171 33.24606 -62.86414      50.98144 
1 1 1 -5  36 25 o 151.6183 11.81632 704.0558       104.2423 753.2620       145.7041 652.4602       149.1997 153.9351 16.39104 141.7975 18.37259 12.13757       24.62150 
1 1 1 -5  36 26 o 120.1784 15.25858 457.9128       105.1241 547.7205       152.6485 376.8979       144.9834 127.5155 21.15255 103.1215 24.36270 24.39402       32.26409 
1 1 1 -5  36 27 o 159.4834 12.91010 788.6537       119.7209 694.6924       184.0204 857.6107       157.6450 141.8532 22.89922 163.4815 16.67550 -21.62825      28.32748 
1 1 1 -5  36 28 f 75.29974 21.35171 197.3189       98.61076 250.9956       145.5767 151.8067       134.0488 82.26949 26.52688 67.83311 25.23084 14.43638       36.60971 
1 1 1 -5  36 29 o 49.90498 20.86641 41.73071       102.1632 70.48743       170.8814 25.73431       127.4490 61.47661 26.39389 52.01632 22.56450 9.460293       34.72454 
1 1 1 -5  36 30 o 40.64860 18.48765 -33.48435      96.46329 -353.7599      165.7350 130.5981       118.6270 37.55457 18.72245 63.55192 23.71620 -25.99735      30.21570 
1 1 1 -5  36 31 o 34.66983 16.54114 -98.94490      93.66250 -72.49648      172.7796 -109.9516      111.4607 50.77731 23.67650 37.91948 18.07845 12.85783       29.78938 
1 1 1 -5  36 32 o 59.61405 23.11176 107.6819       115.3643 0.000000       0.000000 107.6819       115.3643 ?        ?        59.61405 23.11176 0.000000       23.11176 
1 1 1 -5  36 33 o 149.1915 12.66596 697.3339       109.7772 725.4351       182.0973 681.2905       137.5904 143.1668 22.42307 144.2906 16.55894 -1.123795      27.87459 
1 1 1 -5  37 1  o 162.9911 13.20099 799.4662       125.1098 832.8586       133.3615 554.4052       361.2798 166.1842 13.80790 124.7835 41.86760 41.40072       44.08576 
1 1 1 -5  37 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  37 3  o 187.6309 11.57735 1052.292       126.7780 928.6979       134.2049 2077.143       386.4561 175.7463 13.11519 255.1004 26.20296 -79.35408      29.30193 
1 1 1 -5  37 4  o 199.0056 11.28268 1182.461       131.1431 1301.143       141.9138 488.4392       343.1780 208.6642 11.64265 118.2138 40.78602 90.45042       42.41522 
1 1 1 -5  37 5  o 245.6479 11.65117 1802.530       167.3761 1883.164       189.8583 1521.268       354.5911 250.5517 12.96467 215.8866 28.71766 34.66507       31.50852 
1 1 1 -5  37 6  o 108.6025 20.02216 373.0625       122.8294 438.2152       132.0828 -43.65754      334.0429 118.0112 19.78367 78.14877 35.07697 39.86242       40.27143 
1 1 1 -5  37 7  o 193.4455 13.39536 1127.969       151.0334 1212.551       168.3719 779.5756       341.7163 200.1660 14.43968 146.3333 39.08022 53.83269       41.66255 
1 1 1 -5  37 8  o 165.9964 13.06862 831.4995       126.2015 870.2761       136.0290 591.8525       338.1681 169.5748 13.79702 126.6181 40.39106 42.95670       42.68250 
1 1 1 -5  37 9  o 61.99332 23.28979 98.15138       114.7958 45.18617       123.2894 443.3094       314.7308 56.30753 23.17653 111.6714 39.02884 -55.36387      45.39165 
1 1 1 -5  37 10 o 141.4454 14.42221 610.5201       117.9665 512.4071       126.1759 1291.748       332.4753 128.4028 17.18645 195.8632 29.88911 -67.46036      34.47801 
1 1 1 -5  37 11 o 58.69497 22.46871 83.13311       108.0558 154.9396       118.8664 -258.6334      259.3236 70.87722 24.01551 57.75394 27.54603 13.12328       36.54488 
1 1 1 -5  37 12 o 106.4012 17.84391 357.4007       107.4108 325.7435       118.9154 497.6691       250.3123 100.2364 20.90613 117.1015 34.27200 -16.86510      40.14519 
1 1 1 -5  37 13 f 74.91663 22.47645 182.8779       106.5880 136.0945       118.5153 380.8407       243.7925 67.52658 23.92084 103.0033 34.39006 -35.47672      41.89132 
1 1 1 -5  37 14 o 59.21836 22.96970 83.88986       113.9932 -8.566297      130.0724 390.0313       236.6891 51.30532 22.51443 103.7025 33.85425 -52.39715      40.65722 
1 1 1 -5  37 15 o 61.31936 23.27903 98.45477       115.3789 143.6812       131.3006 -54.83812      241.7306 69.33658 25.10489 64.55692 29.32413 4.779663       38.60260 
1 1 1 -5  37 16 o 92.79797 21.63127 285.4612       115.5427 316.2499       131.9501 184.2400       239.2489 96.92921 23.46552 81.46868 32.74411 15.46053       40.28408 
1 1 1 -5  37 17 o 37.91833 18.12539 -134.8030      113.5969 -110.8164      132.3037 -202.0921      221.5949 43.46544 20.41236 53.78516 25.59981 -10.31972      32.74163 
1 1 1 -5  37 18 o 121.7581 16.63750 467.3801       115.7011 379.8478       136.2666 693.5101       219.0203 106.5807 22.50729 141.2851 27.42165 -34.70440      35.47569 
1 1 1 -5  37 19 o 202.3966 10.85872 1236.554       128.4220 1323.306       158.2320 1069.122       219.8234 208.1055 13.03002 181.1937 21.07926 26.91180       24.78138 
1 1 1 -5  37 20 o 214.4927 9.966243 1383.966       125.0275 1394.772       151.8759 1361.246       220.2274 214.0308 12.14925 206.6485 18.36240 7.382233       22.01777 
1 1 1 -5  37 21 o 44.48220 19.97526 -27.85507      108.4710 -23.65632      131.4325 -36.82338      192.0869 49.26058 22.06484 57.66519 26.17255 -8.404606      34.23243 
1 1 1 -5  37 22 o 78.03071 22.16407 208.6385       106.1655 217.6531       131.5421 191.7948       179.8085 78.90164 25.19372 76.36514 29.04435 2.536507       38.44864 
1 1 1 -5  37 23 o 51.49471 21.42445 42.60107       106.9187 69.99319       135.4809 -2.626990      174.0882 58.71968 24.24504 57.21494 25.52728 1.504742       35.20602 
1 1 1 -5  37 24 o 119.3615 15.52573 452.7509       106.1113 370.5110       138.2188 570.7889       165.5909 102.9305 23.42514 129.0485 22.70812 -26.11806      32.62508 
1 1 1 -5  37 25 o 186.2338 10.77571 1056.337       117.1915 1250.897       163.5077 850.8090       168.0535 200.1971 14.01463 161.7794 18.01764 38.41765       22.82641 
1 1 1 -5  37 26 o 156.7498 13.53337 767.3801       123.1951 722.1711       162.1058 829.1872       189.5420 147.6816 19.16817 156.4551 21.20203 -8.773499      28.58225 
1 1 1 -5  37 27 o 70.23135 23.07303 172.6280       109.8644 52.08988       162.5067 274.0991       149.1009 59.06247 25.55065 85.26904 26.77266 -26.20656      37.00826 
1 1 1 -5  37 28 o 98.17783 18.64529 323.6603       103.4329 307.3794       154.1795 336.9839       139.4756 89.67397 27.06138 95.83921 24.66941 -6.165237      36.61827 
1 1 1 -5  37 29 o 119.6918 15.55903 462.1058       106.6364 287.1963       164.2816 589.4628       140.1824 85.59043 28.21906 133.0579 18.46061 -47.46746      33.72106 
1 1 1 -5  37 30 f 70.06214 21.05738 172.9900       93.49224 101.3690       147.0983 221.5299       121.0980 61.53636 25.32084 77.48225 24.09805 -15.94590      34.95513 
1 1 1 -5  37 31 o 85.24734 20.64552 255.6013       102.1106 166.4103       178.4213 299.0419       124.5185 70.16223 28.24994 90.38624 23.33151 -20.22401      36.63903 
1 1 1 -5  37 32 o 132.7400 14.67388 565.7441       112.3297 553.8994       184.1570 572.7623       141.7539 119.9910 26.84192 129.7902 19.20136 -9.799217      33.00274 
1 1 1 -5  38 1  o 225.2817 11.73376 1522.360       154.4949 1524.912       168.1793 1508.566       391.0148 224.9955 12.79802 209.3000 32.94223 15.69547       35.34092 
1 1 1 -5  38 2  o 139.8342 14.31225 596.3750       115.7199 542.0418       122.2208 1066.751       359.6126 132.5952 16.04271 172.1833 36.73230 -39.58813      40.08280 
1 1 1 -5  38 3  o 103.2150 19.34299 338.9249       112.7881 349.4159       120.2671 262.3578       324.9060 104.4305 20.36852 95.64456 38.25501 8.785919       43.33961 
1 1 1 -5  38 4  o 223.9498 11.85987 1506.172       155.2137 1649.902       174.2225 953.2285       341.7210 233.9985 12.74333 162.0824 36.79325 71.91611       38.93759 
1 1 1 -5  38 5  o 204.7481 13.09985 1266.884       156.4777 1353.044       173.2560 885.5560       364.4897 211.1465 14.07147 152.7482 40.16243 58.39824       42.55616 
1 1 1 -5  38 6  f 128.8257 19.38305 525.0819       141.9118 646.4812       155.7655 -67.76181      344.2179 143.3723 18.99153 76.25253 34.77467 67.11974       39.62267 
1 1 1 -5  38 7  o 31.38724 15.56839 -246.1124      108.8914 -316.8370      115.2280 344.3979       332.9557 30.14573 15.11495 101.3770 39.27438 -71.23128      42.08252 
1 1 1 -5  38 8  o 281.0985 8.919312 2350.782       146.8556 2399.804       162.6007 2133.799       342.0904 283.6019 9.790717 257.7514 22.86731 25.85046       24.87513 
1 1 1 -5  38 9  o 133.8239 15.06010 552.0915       116.1488 674.1265       124.7658 -240.9551      318.0552 148.2548 14.53613 65.28132 30.95546 82.97344       34.19852 
1 1 1 -5  38 10 o 51.24496 21.59871 25.18383       110.8250 51.66238       118.6345 -156.3009      310.5874 55.73146 22.81445 67.76109 31.64476 -12.02962      39.01141 
1 1 1 -5  38 11 o 223.4918 9.726933 1493.355       127.1882 1546.312       146.1063 1327.660       258.4407 226.8160 11.01655 202.8346 22.08147 23.98146       24.67703 
1 1 1 -5  38 12 o 119.2783 16.42304 445.8025       111.8394 339.6882       123.6343 923.6877       262.3698 101.6277 21.41968 163.8211 28.33317 -62.19336      35.51860 
1 1 1 -5  38 13 o 62.41201 22.79635 111.7465       108.5918 117.5872       121.9665 89.41093       238.5089 64.58557 24.05838 73.52019 31.36405 -8.934616      39.52859 
1 1 1 -5  38 14 o 88.71291 23.04996 265.3029       120.9978 222.1727       126.5975 720.7378       411.3843 81.09332 24.53235 127.5915 44.61909 -46.49818      50.91856 
1 1 1 -5  38 15 o 61.59079 23.16144 104.2202       113.5947 131.5330       127.1483 -3.791972      252.8503 66.81116 24.62350 68.19727 30.57122 -1.386101      39.25451 
1 1 1 -5  38 16 o 151.7481 13.53716 707.5645       119.2126 662.2158       139.1915 832.4002       230.9404 145.0970 16.65882 155.7994 26.20366 -10.70238      31.05073 
1 1 1 -5  38 17 o 74.34637 22.71503 185.4634       108.1731 172.1798       124.9606 225.1793       216.0711 72.37478 24.62222 82.72315 31.74591 -10.34837      40.17532 
1 1 1 -5  38 18 o 83.56658 21.63864 236.4010       106.8790 283.8137       128.4352 129.6290       192.7373 90.57274 23.85326 71.35294 29.12903 19.21980       37.64941 
1 1 1 -5  38 19 o 61.47470 22.79417 111.2143       109.2476 113.1939       127.9826 105.8982       209.7256 63.46859 24.41290 70.22784 29.66180 -6.759243      38.41630 
1 1 1 -5  38 20 o 88.76331 21.50000 268.4940       110.7261 228.4780       131.1778 367.6599       206.5020 80.61330 25.08237 97.58955 31.60464 -16.97626      40.34822 
1 1 1 -5  38 21 o 173.9870 11.78744 925.7389       119.5681 859.5065       142.5865 1082.655       219.4711 165.6578 14.83310 180.4686 21.13597 -14.81081      25.82150 
1 1 1 -5  38 22 o 50.00787 21.39524 24.56253       111.5646 -113.5590      136.0162 308.5444       195.0317 43.21386 20.41749 89.65453 30.75415 -46.44067      36.91466 
1 1 1 -5  38 23 o 52.77809 21.94820 49.45379       112.1353 111.9534       140.7879 -58.99106      185.4519 63.58132 25.26409 54.38591 25.06875 9.195415       35.59097 
1 1 1 -5  38 24 o 115.0369 18.50082 437.4898       120.5869 506.8240       151.1676 316.1726       199.9615 121.2491 22.07122 89.27688 31.11539 31.97222       38.14847 
1 1 1 -5  38 25 o 99.09750 19.55041 332.2164       109.5862 447.1330       150.5910 202.8594       159.7728 112.1298 23.64528 75.15127 27.61858 36.97858       36.35774 
1 1 1 -5  38 26 o 34.84465 16.82117 -134.1742      103.5026 -159.2136      141.5195 -105.3775      151.7667 41.17633 19.82536 45.94143 21.66396 -4.765099      29.36617 
1 1 1 -5  38 27 o 77.66777 21.84230 213.9956       103.6322 167.8764       139.4379 270.9055       154.8937 69.59474 25.76164 83.96757 27.38514 -14.37283      37.59797 
1 1 1 -5  38 28 o 150.5938 11.71078 702.3051       102.6168 686.7963       140.0779 720.2677       150.7534 145.0029 16.78124 147.6444 17.76664 -2.641541      24.43898 
1 1 1 -5  38 29 o 103.0578 22.89197 382.6144       134.7630 0.000000       0.000000 382.6144       134.7630 ?        ?        103.0578 22.89197 0.000000       22.89197 
1 1 1 -5  38 30 o 119.7949 16.15903 468.8476       110.6359 328.6354       187.4301 543.8263       137.0614 88.77217 30.15573 126.7814 19.01966 -38.00920      35.65271 
1 1 1 -5  39 1  o 221.9752 19.33706 1551.666       249.2260 1551.666       249.2260 0.000000       0.000000 221.9752 19.33706 ?        ?        0.000000       19.33706 
1 1 1 -5  39 2  f 150.8307 13.58116 694.4166       118.8518 662.9987       124.0191 1048.050       416.0792 146.9145 14.58615 160.4003 43.25023 -13.48578      45.64360 
1 1 1 -5  39 3  o 119.6719 17.12243 449.7861       116.7525 456.5654       122.2233 379.1021       394.6587 120.2406 17.87508 104.1325 41.98424 16.10806       45.63107 
1 1 1 -5  39 4  o 157.2923 14.12379 757.5644       128.9038 842.0974       136.4578 56.85000       392.8764 165.8755 14.16238 85.01041 38.10783 80.86507       40.65439 
1 1 1 -5  39 5  o 73.86471 24.31161 176.1743       121.9545 143.2141       129.3051 441.5992       366.9371 69.19122 24.93198 107.9395 41.38339 -38.74825      48.31344 
1 1 1 -5  39 6  o 204.0313 11.60812 1255.753       138.3291 1303.209       149.4079 970.8878       366.0530 207.4926 12.33344 157.2306 39.69688 50.26193       41.56870 
1 1 1 -5  39 7  o 261.6184 9.870738 2047.771       151.1781 2084.863       165.8645 1865.707       367.4722 263.4915 10.75599 235.0680 27.15369 28.42342       29.20640 
1 1 1 -5  39 8  o 119.2871 18.16256 452.4344       123.0585 534.9346       131.3235 -141.7894      352.4437 130.1402 17.66138 71.99112 33.64953 58.14911       38.00283 
1 1 1 -5  39 9  o 121.9322 16.76497 467.7767       116.7166 474.2369       124.4110 420.3437       337.1154 122.2329 17.88396 104.7444 39.78530 17.48847       43.62002 
1 1 1 -5  39 10 o 83.87482 24.27242 238.5681       126.1880 224.7132       137.3791 313.3632       319.1947 81.45706 25.71545 95.45692 38.00453 -13.99986      45.88713 
1 1 1 -5  39 11 f 104.1694 19.43374 352.1411       114.3603 255.4455       126.8900 770.5015       263.9364 86.62856 24.09957 145.4586 31.82595 -58.82999      39.92093 
1 1 1 -5  39 12 o 99.85699 20.66686 328.6683       117.0414 345.0757       130.4116 260.7341       265.3630 101.4192 22.51275 88.75258 34.86565 12.66658       41.50225 
1 1 1 -5  39 13 o 121.3607 17.07877 467.2148       118.2004 454.4109       133.7472 512.8850       252.5973 118.0566 20.03250 114.9960 34.62354 3.060623       40.00113 
1 1 1 -5  39 14 o 187.6401 11.49285 1067.939       125.8681 976.1024       145.9790 1334.066       248.5007 177.8708 14.10930 202.0880 21.28633 -24.21721      25.53782 
1 1 1 -5  39 15 o 116.4583 17.95343 436.3628       118.6864 338.9679       137.7164 717.5367       233.9943 99.08051 23.96428 140.8475 29.28351 -41.76699      37.83927 
1 1 1 -5  39 16 o 153.6386 13.34815 728.5022       119.0816 664.2192       138.2776 913.0190       234.2726 144.7281 16.59058 162.4684 25.41944 -17.74028      30.35450 
1 1 1 -5  39 17 o 80.08413 23.05662 221.6294       114.1360 274.2080       133.5353 79.07063       219.8815 88.12032 24.79848 68.80447 29.74289 19.31585       38.72472 
1 1 1 -5  39 18 o 65.86887 22.86929 140.6758       107.9666 208.3898       128.3191 -23.45918      199.7802 77.31940 24.90264 59.18011 26.79289 18.13929       36.57869 
1 1 1 -5  39 19 o 34.37600 16.70709 -160.6403      106.6014 -91.17801      122.5191 -377.0768      216.2692 42.09162 19.72761 45.20795 22.33633 -3.116325      29.80085 
1 1 1 -5  39 20 o 40.78819 18.89978 -64.84475      107.4479 -9.928309      124.9640 -220.5848      210.4428 48.86191 21.72479 49.90385 24.06470 -1.041939      32.42031 
1 1 1 -5  39 21 o 123.7852 16.18863 491.5221       114.7112 478.9538       135.7636 522.8855       214.4646 119.5530 20.07374 115.1950 31.04690 4.357979       36.97114 
1 1 1 -5  39 22 o 188.3733 11.47452 1087.872       126.1651 1143.606       156.7477 985.3367       212.6070 191.0827 14.08617 170.0497 21.82049 21.03299       25.97217 
1 1 1 -5  39 23 o 150.6955 13.79872 712.8014       120.6000 738.0842       151.5986 669.2211       199.0343 150.4602 17.50657 135.5159 25.98829 14.94429       31.33482 
1 1 1 -5  39 24 o 183.8042 11.70627 1040.859       125.5341 974.2033       162.9088 1138.297       196.9643 174.0989 16.13874 186.0321 18.28918 -11.93318      24.39166 
1 1 1 -5  39 25 o 71.24843 22.51417 179.5514       105.2808 253.1175       141.6651 88.79881       157.3453 82.03596 26.13973 61.63076 25.84109 20.40520       36.75660 
1 1 1 -5  39 26 o 45.02200 19.57592 10.95082       96.38697 -38.35682      127.4472 76.84082       147.3272 46.07225 21.06765 59.16110 24.91726 -13.08886      32.62999 
1 1 1 -5  39 27 o 39.44963 17.98411 -33.70897      91.95274 -4.305560      124.5627 -68.92071      136.3116 48.29678 21.56764 45.26218 21.07981 3.034607       30.15828 
1 1 1 -5  39 28 o 78.84610 20.67452 219.5659       96.75835 67.57592       134.0936 384.6630       139.7559 56.51278 23.78512 102.5431 23.71202 -46.03028      33.58559 
1 1 1 -5  39 29 o 180.3234 11.47347 1006.990       120.7088 849.0657       167.1652 1179.049       174.4861 159.3035 18.21980 190.8526 15.72826 -31.54909      24.06947 
1 1 1 -5  40 1  o 91.81786 22.10759 281.5753       117.6135 335.2947       124.0739 -194.3419      369.3011 100.5820 21.67334 71.13937 33.62111 29.44260       40.00141 
1 1 1 -5  40 2  o 166.3837 13.08310 845.1812       126.6387 880.2383       132.5905 480.7808       427.4774 169.6366 13.43699 109.0614 43.79146 60.57523       45.80660 
1 1 1 -5  40 3  o 111.4587 19.18886 400.6874       120.9089 383.9871       125.0322 641.4383       474.7268 108.4421 20.40826 119.2161 46.69301 -10.77397      50.95816 
1 1 1 -5  40 4  o 139.0672 15.77632 603.0064       126.4002 617.7831       131.0848 407.2796       477.0768 140.5579 16.19767 104.8647 44.53356 35.69317       47.38779 
1 1 1 -5  40 5  o 231.9475 12.62035 1635.077       171.0300 1732.940       188.0633 1167.068       411.2666 238.1953 13.51782 168.1366 41.86802 70.05875       43.99617 
1 1 1 -5  40 6  o 145.3542 15.03973 655.3557       126.3589 641.7681       133.5539 771.3656       390.2410 143.2211 16.18320 132.6263 43.48063 10.59483       46.39462 
1 1 1 -5  40 7  o 108.8241 20.09992 386.7403       123.5587 410.4853       130.3449 176.3506       387.9895 111.9062 20.62001 88.66675 38.89801 23.23943       44.02545 
1 1 1 -5  40 8  o 46.98801 20.88436 -19.60606      115.3808 -34.78616      121.2111 126.9007       376.5595 46.77730 21.05161 85.11331 37.78482 -38.33601      43.25347 
1 1 1 -5  40 9  f 107.9542 19.87857 381.2302       121.2202 360.1102       128.9051 542.6833       356.4077 103.7720 21.87139 112.6452 41.27438 -8.873177      46.71115 
1 1 1 -5  40 10 o 219.5588 10.56694 1453.653       135.6668 1393.233       146.6143 1813.511       357.8086 214.2648 11.71196 228.8619 27.18868 -14.59706      29.60396 
1 1 1 -5  40 11 o 238.6837 11.34876 1726.112       158.4076 1629.993       181.3942 2034.901       325.1243 230.4119 13.48248 247.8852 22.61266 -17.47333      26.32697 
1 1 1 -5  40 12 o 56.85636 23.13594 66.33573       121.1142 -4.064161      136.2288 331.8293       264.5513 51.86238 22.88922 93.42481 35.29932 -41.56243      42.07087 
1 1 1 -5  40 13 o 84.21140 25.38644 250.1345       135.7353 147.8911       160.5353 506.5129       254.2106 70.40965 27.27275 111.8679 34.93392 -41.45821      44.31909 
1 1 1 -5  40 14 o 119.4726 17.58869 460.1119       119.5560 467.9480       138.5221 437.2290       236.7152 118.5636 20.67249 104.5293 33.83662 14.03426       39.65184 
1 1 1 -5  40 15 o 63.17332 23.44648 120.3241       115.6408 60.81663       132.4460 311.1971       237.2059 57.39315 23.85914 90.19904 33.56062 -32.80589      41.17735 
1 1 1 -5  40 16 o 160.5254 13.50452 799.0227       125.9597 974.4748       149.7332 374.3031       232.9647 176.5935 14.58749 96.66469 33.59151 79.92883       36.62219 
1 1 1 -5  40 17 o 56.53764 22.73851 74.47810       115.4538 3.235085       133.2469 289.0782       231.2603 51.47497 22.68106 87.07621 32.98035 -35.60124      40.02666 
1 1 1 -5  40 18 o 162.8519 14.51050 832.1165       137.1380 858.0940       148.7674 685.1782       353.8153 164.5688 15.60007 118.5040 41.38375 46.06476       44.22643 
1 1 1 -5  40 19 o 49.53563 21.46877 16.86041       115.1572 -36.07650      137.1117 143.6117       212.1639 48.53088 22.06039 71.90503 30.06803 -23.37415      37.29272 
1 1 1 -5  40 20 o 101.8206 20.25579 352.3525       116.7007 430.3716       140.7790 180.9642       208.6544 111.2131 22.36003 74.69732 30.37777 36.51573       37.71975 
1 1 1 -5  40 21 o 150.0489 13.74524 706.7539       119.6160 611.6800       142.0213 938.8072       221.8793 136.2244 18.23410 163.2140 23.88684 -26.98962      30.05102 
1 1 1 -5  40 22 o 81.92096 22.68769 239.9510       112.7355 368.7306       135.8369 -45.07019      202.0844 101.5399 23.30470 56.58968 26.11472 44.95019       35.00125 
1 1 1 -5  40 23 o 54.51788 22.52835 63.57019       117.1024 69.23015       146.5880 53.58763       194.6761 58.59119 24.77509 62.16445 27.40218 -3.573254      36.94164 
1 1 1 -5  40 24 o 98.30447 20.27323 333.8120       112.9985 395.2273       144.9813 238.7689       180.3574 103.9253 24.23466 78.64950 29.26390 25.27579       37.99598 
1 1 1 -5  40 25 o 124.7748 14.58727 498.0950       104.7339 471.0790       137.1820 535.8472       162.1651 116.5564 20.83298 121.9776 23.52123 -5.421143      31.42072 
1 1 1 -5  40 26 o 61.80346 21.57965 129.2690       96.20476 118.0448       127.4556 144.1316       146.6662 61.81639 24.19921 66.20203 25.94626 -4.385647      35.47971 
1 1 1 -5  40 27 o 56.73838 22.06940 94.76523       105.4599 93.01958       152.3299 96.37206       146.1477 60.72505 25.44125 60.53891 25.10588 0.1861343      35.74300 
1 1 1 -5  41 1  o 86.64636 23.10282 256.4048       119.5409 269.2190       126.8604 154.8724       357.0936 88.44704 23.89573 84.77226 37.24925 3.674782       44.25508 
1 1 1 -5  41 2  o 66.80712 24.07201 137.8016       120.5374 138.7552       125.6685 126.8335       426.1837 67.30439 24.53260 86.89951 39.25779 -19.59512      46.29279 
1 1 1 -5  41 3  o 187.0407 12.43314 1067.630       135.6111 1066.067       140.8053 1087.646       503.9335 186.5979 12.94682 145.6955 49.44722 40.90247       51.11406 
1 1 1 -5  41 4  o 178.9058 12.71982 979.3008       132.5911 1041.608       138.7767 326.7320       449.1175 184.4180 12.91266 97.10162 42.23809 87.31640       44.16778 
1 1 1 -5  41 5  o 150.2533 14.99500 703.8658       130.3733 775.6666       136.8992 4.174258       427.3560 157.8035 14.97132 81.27288 37.67053 76.53062       40.53652 
1 1 1 -5  41 6  o 131.5373 16.73640 549.1921       126.1909 577.2036       132.1683 260.3560       424.4097 134.6590 17.12226 92.37096 40.59774 42.28800       44.06073 
1 1 1 -5  41 7  o 73.97849 24.37648 185.1493       122.5937 214.0652       128.3301 -116.7670      414.6713 78.69549 24.85546 75.39442 35.63042 3.301064       43.44331 
1 1 1 -5  41 8  o 38.63978 18.56451 -149.9370      122.5691 -152.3876      127.9760 -122.7598      426.1794 39.62949 19.02164 75.68661 35.87292 -36.05711      40.60406 
1 1 1 -5  41 9  o 245.7043 10.16984 1821.392       146.2303 1728.194       154.7342 2600.053       447.2582 238.6981 11.08342 269.2701 28.76682 -30.57199      30.82811 
1 1 1 -5  41 10 o 187.0776 11.92446 1069.124       130.1500 1152.878       145.5750 735.5502       290.5233 193.6466 12.89159 133.8488 36.16147 59.79776       38.39069 
1 1 1 -5  41 11 o 106.0428 20.30362 375.2131       121.6745 426.0355       135.4083 162.1104       277.2758 112.5083 21.30131 78.80334 33.72260 33.70501       39.88683 
1 1 1 -5  41 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  41 13 o 101.8732 20.89519 350.9313       120.6488 175.7610       135.7658 1008.737       263.0927 72.13707 25.59788 167.0609 27.83105 -94.92386      37.81295 
1 1 1 -5  41 14 o 70.53330 25.08669 167.0193       130.4654 75.76784       138.6238 874.5256       385.9963 59.47260 24.53720 133.3393 43.21179 -73.86669      49.69238 
1 1 1 -5  41 15 o 182.7630 11.99695 1025.714       127.8798 992.8878       148.2463 1121.171       252.7981 178.1273 14.31100 178.9574 24.74819 -0.8301544     28.58807 
1 1 1 -5  41 16 o 79.04058 23.89794 222.4733       120.1583 251.1409       142.2233 150.9805       224.5982 82.78139 26.16895 73.33167 30.81833 9.449730       40.42998 
1 1 1 -5  41 17 o 61.91458 23.77966 114.0651       121.3036 136.0146       145.4043 63.81848       219.9978 66.51346 25.90205 66.04683 29.12103 0.4666290      38.97372 
1 1 1 -5  41 18 o 87.16396 23.11263 271.2886       120.0590 409.7885       148.9256 14.17948       202.9099 106.7065 24.33801 60.72792 27.29142 45.97860       36.56720 
1 1 1 -5  41 19 o 112.7539 18.73560 424.4523       119.5476 400.3657       142.7300 481.0681       218.8245 105.7577 23.61019 107.4590 32.19683 -1.701241      39.92590 
1 1 1 -5  41 20 o 71.96104 24.03548 184.5742       119.0839 161.5800       139.9454 244.9174       226.7064 68.90375 25.75004 80.26467 32.00471 -11.36092      41.07756 
1 1 1 -5  41 21 o 135.0024 16.01023 588.8134       124.2970 620.8328       145.3094 501.4899       239.9673 136.5357 18.63229 106.7822 34.02046 29.75345       38.78858 
1 1 1 -5  41 22 o 48.40383 21.60585 -4.794216      124.8585 -1.182992      142.9423 -16.41915      256.4653 51.47535 23.03721 63.03078 29.20380 -11.55543      37.19644 
1 1 1 -5  41 23 o 72.69978 23.27584 191.6279       112.2195 150.9009       135.4577 280.7388       200.3677 66.64616 25.24132 82.77454 30.83569 -16.12838      39.84927 
1 1 1 -5  41 24 o 97.61316 19.73453 328.4698       109.0871 204.7984       137.1276 541.6348       180.0313 74.09835 25.77062 119.5434 26.38606 -45.44508      36.88291 
1 1 1 -5  41 25 o 66.35881 22.98320 155.5667       109.0146 274.0823       148.1096 15.45309       161.0407 83.69466 26.73421 54.80491 24.49512 28.88974       36.25920 
1 1 1 -5  42 1  o 57.00020 23.16797 69.41078       121.2858 93.50537       128.1356 -138.0458      375.9876 60.80451 24.12103 71.12594 33.70634 -10.32143      41.44806 
1 1 1 -5  42 2  o 104.1147 21.19768 365.2505       125.0302 402.7797       131.8732 31.53003       393.2450 109.3841 21.32306 78.89748 36.41638 30.48666       42.19983 
1 1 1 -5  42 3  o 119.2082 19.57679 467.7720       132.1200 501.4948       138.0110 97.86559       457.0862 123.4013 19.73427 84.76594 39.17339 38.63535       43.86338 
1 1 1 -5  42 4  o 65.20159 24.42537 128.5869       126.0730 162.8482       131.3923 -269.0391      447.6156 70.41317 25.16134 72.01743 34.81875 -1.604263      42.95857 
1 1 1 -5  42 5  o 113.6272 20.69701 431.5016       132.8443 448.6444       138.7804 243.8745       459.1297 115.5306 21.26576 90.63810 40.86512 24.89249       46.06723 
1 1 1 -5  42 6  o 153.8267 15.08138 742.9418       134.3111 756.0400       140.5351 604.8159       456.3697 154.7682 15.69990 109.3508 44.75357 45.41745       47.42751 
1 1 1 -5  42 7  o 114.5148 19.83283 434.9226       128.3754 433.4842       133.9931 451.0059       448.0524 113.6364 20.87449 100.0957 42.85173 13.54072       47.66566 
1 1 1 -5  42 8  o 165.9577 13.98169 857.4142       134.8197 852.4289       141.1317 909.4373       455.9078 164.9427 14.74486 129.5364 46.79691 35.40634       49.06488 
1 1 1 -5  42 9  o 70.57025 24.62298 167.9441       125.2404 116.9008       131.4947 666.5529       410.9786 63.71751 24.68233 113.9730 43.77112 -50.25552      50.25066 
1 1 1 -5  42 10 o 205.3216 12.02240 1292.420       144.1358 1322.126       153.1929 1063.246       425.4985 207.1817 12.66828 144.9444 45.18570 62.23732       46.92795 
1 1 1 -5  42 11 o 146.4188 16.13508 683.8809       136.2594 687.1094       149.8548 668.4711       327.3936 145.4198 17.95173 119.4977 39.85175 25.92202       43.70842 
1 1 1 -5  42 12 o 137.6027 16.65174 608.9702       131.6504 634.8227       146.3657 499.4471       301.2595 139.2457 18.37056 104.5863 38.00454 34.65935       42.21164 
1 1 1 -5  42 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  42 14 o 142.4534 15.87245 649.2588       130.3574 662.3004       153.9782 616.2615       244.9245 141.4106 19.05050 122.0846 33.29512 19.32606       38.35996 
1 1 1 -5  42 15 o 72.31320 24.97721 184.7865       128.7153 162.0461       151.5807 243.5711       243.7115 69.81116 26.63948 81.10654 32.88717 -11.29539      42.32290 
1 1 1 -5  42 16 o 145.6289 15.20229 676.2631       127.9296 882.4875       156.9290 267.6956       220.8845 165.4807 16.38470 82.68811 32.00118 82.79262       35.95183 
1 1 1 -5  42 17 f 102.7635 21.32099 366.8303       124.2829 450.5069       149.0120 175.5866       225.2748 112.4948 23.35115 74.15930 30.99494 38.33551       38.80673 
1 1 1 -5  42 18 o 62.13029 23.73086 120.0520       120.3603 208.4168       145.6504 -70.22944      213.7324 75.30128 26.53240 56.37623 26.30251 18.92506       37.36028 
1 1 1 -5  42 19 o 122.6334 18.44000 502.0481       128.5218 687.5090       149.2849 -29.04652      252.6246 144.0990 18.06022 62.21420 28.88025 81.88477       34.06231 
1 1 1 -5  42 20 o 41.47707 19.51314 -86.71856      121.8460 -83.38966      140.1091 -97.04906      246.8178 44.99283 21.09021 58.11357 27.47127 -13.12074      34.63334 
1 1 1 -5  42 21 o 62.28302 24.66088 117.8946       133.6983 103.0270       155.8781 159.2731       260.0466 62.32718 25.89480 73.18914 31.98301 -10.86196      41.15160 
1 1 1 -5  42 22 o 42.54893 20.16436 -105.5263      134.5790 -121.4791      157.3100 -61.97958      259.9054 45.45876 21.61755 60.69578 28.53729 -15.23702      35.80078 
1 1 1 -5  42 23 o 104.5926 21.41539 387.0278       126.9387 358.8321       160.0732 434.8016       208.3640 95.27937 27.26550 100.0561 31.68035 -4.776726      41.79775 
1 1 1 -5  43 1  o 68.42588 24.39865 154.9155       123.4812 138.5034       130.2162 301.3734       388.9910 66.41226 24.83481 90.16087 39.26289 -23.74860      46.45797 
1 1 1 -5  43 2  o 66.45781 24.37614 141.4792       124.3633 124.1663       131.5308 287.4714       381.9506 64.54769 24.76925 89.16121 38.86557 -24.61352      46.08740 
1 1 1 -5  43 3  o 164.5711 14.50491 849.0740       138.5659 872.5197       148.5351 691.7914       384.7137 166.1573 15.41849 116.8230 42.86946 49.33437       45.55788 
1 1 1 -5  43 4  o 166.1580 17.57733 891.5322       168.6932 921.8572       185.4812 746.3949       405.7780 167.5190 19.22741 119.2599 43.98239 48.25909       48.00150 
1 1 1 -5  43 5  o 95.01558 23.75601 320.3740       132.0154 341.5874       139.1082 128.1176       418.7819 97.77013 24.35217 82.09418 37.77934 15.67595       44.94782 
1 1 1 -5  43 6  o 92.80204 23.80597 306.6004       130.1879 304.6463       136.3089 326.9048       439.3803 91.89021 24.74534 91.29345 40.65459 0.5967636      47.59335 
1 1 1 -5  43 7  o 108.2870 20.99399 399.4853       128.5145 327.6544       135.1904 1073.370       414.0792 95.71550 24.10155 145.2363 44.45530 -49.52080      50.56835 
1 1 1 -5  43 8  o 104.8838 21.62243 379.0575       128.5817 336.9024       136.5161 710.4067       382.7382 96.98006 24.10624 116.6296 42.76571 -19.64957      49.09192 
1 1 1 -5  43 9  o 161.6005 14.48421 822.3787       135.8196 798.6304       144.1938 1009.204       404.4355 158.2661 15.74344 139.6406 44.12734 18.62547       46.85166 
1 1 1 -5  43 10 o 95.65285 22.94581 323.8337       127.0674 312.9724       137.4725 387.5443       332.9512 92.69708 24.80160 93.14545 38.18559 -0.4483643     45.53304 
1 1 1 -5  43 11 o 71.70225 25.34268 180.4339       132.9610 180.7713       143.1497 178.3134       358.8503 71.94983 26.18977 80.45172 36.21281 -8.501892      44.69084 
1 1 1 -5  43 12 o 52.71632 22.70804 32.76019       127.2875 -48.13058      138.1216 488.5472       327.8634 47.47364 21.79183 100.0103 38.90947 -52.53664      44.59631 
1 1 1 -5  43 13 o 136.2890 17.21869 606.4599       134.5633 673.0557       150.0707 333.2644       303.9549 142.7028 18.35600 88.15413 36.34852 54.54866       40.72049 
1 1 1 -5  43 14 o 51.69295 23.24083 -10.12220      147.3212 -85.06557      160.3543 395.5005       373.0569 48.47968 22.67217 91.64452 39.16425 -43.16484      45.25335 
1 1 1 -5  43 15 o 120.2713 18.84624 484.2535       128.5711 532.5439       148.7501 341.6059       255.6578 124.3113 21.16049 88.86100 34.41776 35.45032       40.40233 
1 1 1 -5  43 16 o 152.0860 20.27471 786.6577       176.3392 1308.300       297.3857 503.7846       218.9927 185.6969 28.19115 109.2071 32.08223 76.48976       42.70843 
1 1 1 -5  43 17 o 106.8842 21.04864 398.2265       127.2461 629.9474       160.8243 10.34594       208.0741 135.0730 20.98237 60.00928 27.23784 75.06367       34.38255 
1 1 1 -5  43 18 o 65.10607 24.10220 143.7586       122.0575 129.3308       155.6860 166.7719       196.6250 65.11297 26.32758 71.03115 29.25613 -5.918182      39.35813 
1 1 1 -5  43 19 o 33.62433 16.75273 -286.1052      131.8379 -346.9503      159.3693 -154.1956      234.6550 36.47701 18.21241 54.12381 25.91993 -17.64681      31.67861 
1 1 1 -5  43 20 o 47.74733 21.74009 -27.37226      133.8493 -86.16637      159.9531 109.9705       244.4717 47.82122 22.45358 68.84212 30.50939 -21.02090      37.88122 
1 1 1 -5  43 21 o 47.69330 21.78232 -29.84771      135.6981 81.77253       155.9078 -378.6147      275.5903 59.80368 25.42998 50.63834 25.05485 9.165348       35.69915 
1 1 1 -5  44 1  o 105.3715 21.77714 384.8676       130.1266 317.6954       136.7795 1025.419       422.3798 93.49323 24.61284 137.5141 45.24376 -44.02089      51.50523 
1 1 1 -5  44 2  o 262.9881 11.09618 2113.250       170.7589 2113.250       170.7589 0.000000       0.000000 262.9881 11.09618 ?        ?        0.000000       11.09618 
1 1 1 -5  44 3  o 151.9749 16.77766 746.3349       147.0526 843.7841       156.8420 37.99322       422.8582 161.6600 16.78693 77.29104 36.35867 84.36901       40.04690 
1 1 1 -5  44 4  o 42.16063 20.19594 -146.4526      142.6600 -132.8752      151.4095 -253.8477      425.8310 44.44242 21.15522 68.26469 33.22595 -23.82227      39.38918 
1 1 1 -5  44 5  o 77.14611 25.69072 217.2717       136.0686 202.5220       144.6147 331.1158       401.7700 74.90741 26.43405 89.00264 39.29346 -14.09523      47.35752 
1 1 1 -5  44 6  o 92.80000 24.14936 312.7006       132.6782 340.1018       141.0939 103.3444       390.0011 96.37083 24.81514 77.90174 36.06563 18.46909       43.77809 
1 1 1 -5  44 7  o 84.58398 27.53163 273.2341       156.5951 343.2665       169.7684 -126.2133      405.4497 93.82891 28.41398 70.29301 33.77032 23.53590       44.13376 
1 1 1 -5  44 8  o 139.3454 17.08706 632.7400       136.7210 687.5795       144.7057 176.5519       417.3598 145.0985 17.34820 81.60471 37.61227 63.49377       41.42032 
1 1 1 -5  44 9  o 211.2746 11.68180 1374.371       144.1828 1304.395       151.8948 2011.470       458.3221 204.9283 12.70077 214.6081 37.79446 -9.679794      39.87143 
1 1 1 -5  44 10 o 71.64792 24.90721 183.0356       128.0858 167.2063       137.3555 288.5791       354.6749 69.52069 25.59786 85.19466 37.28759 -15.67397      45.22847 
1 1 1 -5  44 11 o 75.09795 24.86195 205.7119       127.4770 146.5226       136.7290 599.1949       352.5349 66.63570 25.33113 106.3297 40.61355 -39.69402      47.86571 
1 1 1 -5  44 12 o 161.4597 14.38464 826.5796       134.7867 780.2332       147.7772 1055.967       328.7640 155.0386 16.50584 153.8831 36.90498 1.155457       40.42796 
1 1 1 -5  44 13 o 37.15212 18.00802 -159.8599      121.6833 -215.0598      131.3497 174.3035       323.1763 36.41928 17.87906 77.04817 34.54871 -40.62889      38.90083 
1 1 1 -5  44 14 o 127.4911 18.57292 545.0491       134.7917 554.4022       143.3788 473.9075       395.4299 127.5416 19.81084 93.78946 40.20653 33.75210       44.82225 
1 1 1 -5  44 15 o 110.3429 23.16919 438.8687       145.1544 518.2090       153.6210 -221.9804      443.3584 120.7831 22.51481 68.12167 33.31834 52.66147       40.21229 
1 1 1 -5  44 16 o 59.78982 23.55106 106.0979       121.3625 128.5687       154.1200 69.42178       196.8981 64.81578 26.19935 62.76816 27.61736 2.047619       38.06736 
1 1 1 -5  44 17 o 52.65936 22.66652 39.86109       126.6400 216.9603       160.6996 -250.3562      205.7161 75.41672 27.70151 46.70839 22.81295 28.70833       35.88599 
1 1 1 -5  44 18 o 40.38740 19.17996 -103.9023      123.0040 -96.61867      162.5366 -113.6649      188.1737 47.46948 22.39518 50.13358 23.78361 -2.664097      32.66809 
1 1 1 -5  45 1  o 114.8016 20.48226 450.9451       132.8446 477.9765       139.0914 170.1253       448.3114 117.9467 20.87132 81.81389 38.14495 36.13286       43.48159 
1 1 1 -5  45 2  o 81.97284 25.02675 248.9203       131.3426 277.6954       137.4591 -53.00359      445.2602 86.22196 25.44111 74.18291 35.57359 12.03905       43.73478 
1 1 1 -5  45 3  o 48.45362 21.94526 -24.65697      134.1855 -40.27552      141.3446 117.9117       427.0423 48.41629 22.15727 79.10284 36.99524 -30.68655      43.12299 
1 1 1 -5  45 4  o 75.14977 26.28967 207.6935       142.8237 341.0480       153.7888 -628.6913      385.1447 94.60606 26.60887 55.95016 27.99189 38.65590       38.62096 
1 1 1 -5  45 5  o 153.9501 19.82408 799.8796       174.8378 913.5250       196.3316 364.4303       384.3111 163.3962 20.97079 89.09458 38.90826 74.30166       44.19985 
1 1 1 -5  45 6  f 102.3704 23.48066 378.4518       137.9676 389.9280       145.4714 275.7419       435.1957 103.1437 24.42743 84.94891 38.87732 18.19477       45.91454 
1 1 1 -5  45 7  o 88.42898 24.86953 291.7320       134.3461 309.7177       142.6103 149.9044       400.4681 90.52378 25.67997 78.69832 36.47339 11.82546       44.60683 
1 1 1 -5  45 8  o 66.78346 25.29570 150.4771       136.0496 185.9934       143.6732 -157.7952      423.2817 71.75315 26.21928 69.14316 33.53139 2.609993       42.56530 
1 1 1 -5  45 9  o 100.4888 24.45908 373.2146       142.7684 400.4168       150.6854 134.5594       446.3282 103.6583 25.06463 78.98607 37.21725 24.67223       44.87047 
1 1 1 -5  45 10 o 127.6407 19.53047 553.4359       141.5597 535.1053       155.1885 644.2618       345.4427 122.9923 22.33696 108.5707 40.47976 14.42165       46.23365 
1 1 1 -5  45 11 o 173.2936 14.44920 955.5438       145.5158 1024.582       160.2486 631.0267       347.4309 178.4812 15.46151 107.0357 40.45018 71.44550       43.30445 
1 1 1 -5  45 12 o 52.44815 22.91667 27.60739       133.4761 31.28652       139.4927 -12.30343      459.4354 53.58844 23.42092 74.29935 35.75999 -20.71091      42.74713 
1 1 1 -5  45 13 o 85.18153 23.34519 266.9086       120.0697 285.5309       130.6662 165.8615       304.3745 87.26296 24.52124 75.12174 33.61848 12.14122       41.61122 
1 1 1 -5  45 14 o 44.63019 20.42902 -37.25802      120.2412 -62.55565      134.3117 64.85909       269.8506 45.19930 21.00788 67.57549 30.80690 -22.37619      37.28801 
1 1 1 -5  45 15 o 42.36840 19.81864 -72.26856      122.6450 41.45042       138.3648 -489.1651      264.9252 54.10785 23.49112 46.66930 23.32871 7.438553       33.10682 
1 1 1 -5  46 1  o 53.33493 22.96871 40.48989       130.1631 14.88625       136.3170 305.0096       438.1555 51.77108 22.87068 85.12368 38.97683 -33.35260      45.19139 
1 1 1 -5  46 2  o 74.86591 25.17065 208.2455       130.5751 303.6413       139.6491 -455.0815      368.2455 89.49831 25.41964 57.62471 28.59060 31.87360       38.25677 
1 1 1 -5  46 3  o 243.6771 11.82267 1837.215       168.4546 1837.215       168.4546 0.000000       0.000000 243.6771 11.82267 ?        ?        0.000000       11.82267 
1 1 1 -5  46 4  o 122.8186 20.14840 517.7416       140.1014 438.4891       156.4362 838.8885       314.9071 108.4711 25.09027 131.5858 38.42086 -23.11470      45.88773 
1 1 1 -5  46 5  o 70.00698 25.13416 176.5059       131.2730 179.0834       145.4641 165.1959       304.7127 70.56576 26.27624 75.26022 33.66195 -4.694466      42.70324 
1 1 1 -5  46 6  o 98.44887 23.83957 356.2847       136.1633 402.3591       146.9054 75.35405       362.7499 104.2823 24.44773 73.33311 34.23112 30.94915       42.06496 
1 1 1 -5  46 7  o 189.6750 13.78268 1136.532       152.2723 1276.847       165.1703 341.9138       393.0607 200.7352 14.12008 86.13951 38.39982 114.5957       40.91360 
1 1 1 -5  46 8  o 71.23974 26.21982 185.1451       144.0863 70.60413       155.1620 902.6094       388.3339 58.96497 25.22967 124.5927 43.36542 -65.62772      50.17067 
1 1 1 -5  46 9  o 60.56810 24.95063 98.51752       143.0408 68.51250       152.6883 313.6987       408.8943 58.44078 25.01707 84.38094 38.25353 -25.94017      45.70762 
1 1 1 -5  46 10 o 50.80172 22.75368 1.133717       139.7426 -29.29028      154.0780 142.1864       331.7593 50.51269 23.12311 74.36732 34.00045 -23.85464      41.11823 
1 1 1 -5  46 11 o 93.43820 26.19763 340.0207       149.3190 410.2019       157.2409 -304.3134      476.4427 103.2421 25.99073 66.91769 33.07923 36.32440       42.06844 
1 1 1 -5  47 1  o 72.05850 25.85684 193.7557       138.9099 193.7557       138.9099 0.000000       0.000000 72.05850 25.85684 ?        ?        0.000000       25.85684 
1 1 1 -5  47 2  o 45.56036 21.06321 -51.10350      132.3361 -51.10350      132.3361 0.000000       0.000000 45.56036 21.06321 ?        ?        0.000000       21.06321 
1 1 1 -4  0  1  f 854.2481 19.93251 21480.62       997.3836 21480.62       997.3836 21480.62       997.3836 854.2481 19.93251 854.2481 19.93251 0.000000       0.000000 
1 1 1 -4  0  2  o 124.2529 8.600076 459.3795       61.96865 459.3795       61.96865 459.3795       61.96865 124.2529 8.600076 124.2529 8.600076 0.000000       0.000000 
1 1 1 -4  0  3  o 249.2254 8.305141 1828.153       121.0862 1828.153       121.0862 1828.153       121.0862 249.2254 8.305141 249.2254 8.305141 -0.000000      0.000000 
1 1 1 -4  0  4  o 185.9939 7.654880 1019.893       83.17797 1019.893       83.17797 1019.893       83.17797 185.9939 7.654880 185.9939 7.654880 0.000000       0.000000 
1 1 1 -4  0  5  o 504.6560 12.62571 7488.729       373.1533 7488.729       373.1533 7488.729       373.1533 504.6560 12.62571 504.6560 12.62571 -0.000000      0.000000 
1 1 1 -4  0  6  o 258.6718 8.286365 1968.895       125.4158 1968.895       125.4158 1968.895       125.4158 258.6718 8.286365 258.6718 8.286365 0.000000       0.000000 
1 1 1 -4  0  7  f 317.2876 9.177273 2961.021       170.4488 2961.021       170.4488 2961.021       170.4488 317.2876 9.177273 317.2876 9.177273 -0.000000      0.000000 
1 1 1 -4  0  8  o 85.76874 8.870312 222.6639       43.42960 222.6639       43.42960 222.6639       43.42960 85.76874 8.870312 85.76874 8.870312 0.000000       0.000000 
1 1 1 -4  0  9  o 103.5187 8.222301 320.3127       49.17272 320.3127       49.17272 320.3127       49.17272 103.5187 8.222301 103.5187 8.222301 -0.000000      0.000000 
1 1 1 -4  0  10 o 603.2072 14.62527 10710.83       516.7064 10710.83       516.7064 10710.83       516.7064 603.2072 14.62527 603.2072 14.62527 0.000000       0.000000 
1 1 1 -4  0  11 o 474.5466 12.03951 6626.899       334.5848 6626.899       334.5848 6626.899       334.5848 474.5466 12.03951 474.5466 12.03951 -0.000000      0.000000 
1 1 1 -4  0  12 o 328.8506 9.397171 3182.052       180.9020 3182.052       180.9020 3182.052       180.9020 328.8506 9.397171 328.8506 9.397171 -0.000000      0.000000 
1 1 1 -4  0  13 o 85.16567 9.378067 220.4948       45.39511 220.4948       45.39511 220.4948       45.39511 85.16567 9.378067 85.16567 9.378067 -0.000000      0.000000 
1 1 1 -4  0  14 o 396.3732 10.59069 4621.200       245.7976 4621.200       245.7976 4621.200       245.7976 396.3732 10.59069 396.3732 10.59069 -0.000000      0.000000 
1 1 1 -4  0  15 o 857.7484 20.00308 21665.71       1005.018 21665.71       1005.018 21665.71       1005.018 857.7484 20.00308 857.7484 20.00308 -0.000000      0.000000 
1 1 1 -4  0  16 o 367.7401 8.313087 3973.094       179.0822 3973.094       179.0822 3973.094       179.0822 367.7401 8.313087 367.7401 8.313087 0.000000       0.000000 
1 1 1 -4  0  17 o 343.3591 8.345734 3464.462       167.8354 3464.462       167.8354 3464.462       167.8354 343.3591 8.345734 343.3591 8.345734 -0.000000      0.000000 
1 1 1 -4  0  18 o 369.1635 8.569696 4004.223       185.3130 4004.223       185.3130 4004.223       185.3130 369.1635 8.569696 369.1635 8.569696 -0.000000      0.000000 
1 1 1 -4  0  19 o 640.7927 12.89891 12065.97       484.3105 12065.97       484.3105 12065.97       484.3105 640.7927 12.89891 640.7927 12.89891 -0.000000      0.000000 
1 1 1 -4  0  20 o 36.08755 21.24044 43.60700       76.35859 43.60700       76.35859 43.60700       76.35859 36.08755 21.24044 36.08755 21.24044 -0.000000      0.000000 
1 1 1 -4  0  21 f 204.3044 9.299212 1232.213       110.8956 1232.213       110.8956 1232.213       110.8956 204.3044 9.299212 204.3044 9.299212 0.000000       0.000000 
1 1 1 -4  0  22 o 60.22689 24.06799 147.5737       82.37435 147.5737       82.37435 147.5737       82.37435 60.22689 24.06799 60.22689 24.06799 -0.000000      0.000000 
1 1 1 -4  0  23 o 511.4287 10.80397 7686.991       323.7289 7686.991       323.7289 7686.991       323.7289 511.4287 10.80397 511.4287 10.80397 -0.000000      0.000000 
1 1 1 -4  0  24 o 248.3052 7.989356 1814.632       116.0720 1814.632       116.0720 1814.632       116.0720 248.3052 7.989356 248.3052 7.989356 0.000000       0.000000 
1 1 1 -4  0  25 o 440.3725 9.800754 5701.015       252.8391 5701.015       252.8391 5701.015       252.8391 440.3725 9.800754 440.3725 9.800754 -0.000000      0.000000 
1 1 1 -4  0  26 o 104.7576 13.08496 337.2053       77.00517 337.2053       77.00517 337.2053       77.00517 104.7576 13.08496 104.7576 13.08496 -0.000000      0.000000 
1 1 1 -4  0  27 o 460.9692 12.68830 6260.212       342.4375 6260.212       342.4375 6260.212       342.4375 460.9692 12.68830 460.9692 12.68830 0.000000       0.000000 
1 1 1 -4  0  28 o 516.3349 10.98812 7844.854       332.4002 7844.854       332.4002 7844.854       332.4002 516.3349 10.98812 516.3349 10.98812 -0.000000      0.000000 
1 1 1 -4  0  29 o 64.20370 21.38091 156.0372       71.68532 156.0372       71.68532 156.0372       71.68532 64.20370 21.38091 64.20370 21.38091 0.000000       0.000000 
1 1 1 -4  0  30 o 435.7264 9.651430 5586.973       246.3626 5586.973       246.3626 5586.973       246.3626 435.7264 9.651430 435.7264 9.651430 0.000000       0.000000 
1 1 1 -4  0  31 o 81.45207 17.80507 221.3530       74.48786 221.3530       74.48786 221.3530       74.48786 81.45207 17.80507 81.45207 17.80507 -0.000000      0.000000 
1 1 1 -4  0  32 o 238.6569 8.411096 1679.394       117.3952 1679.394       117.3952 1679.394       117.3952 238.6569 8.411096 238.6569 8.411096 0.000000       0.000000 
1 1 1 -4  0  33 o 163.8435 10.81474 799.7221       102.8654 799.7221       102.8654 799.7221       102.8654 163.8435 10.81474 163.8435 10.81474 0.000000       0.000000 
1 1 1 -4  0  34 o 37.04303 22.90856 30.30891       98.32505 30.30891       98.32505 30.30891       98.32505 37.04303 22.90856 37.04303 22.90856 -0.000000      0.000000 
1 1 1 -4  0  35 o 290.5266 9.509987 2488.851       161.6441 2488.851       161.6441 2488.851       161.6441 290.5266 9.509987 290.5266 9.509987 0.000000       0.000000 
1 1 1 -4  0  36 o 163.2808 12.27398 798.2911       115.9725 798.2911       115.9725 798.2911       115.9725 163.2808 12.27398 163.2808 12.27398 -0.000000      0.000000 
1 1 1 -4  0  37 o 25.91097 18.05759 -91.52910      98.92551 -91.52910      98.92551 -91.52910      98.92551 25.91097 18.05759 25.91097 18.05759 -0.000000      0.000000 
1 1 1 -4  0  38 o 189.5571 11.32644 1069.953       124.8775 1069.953       124.8775 1069.953       124.8775 189.5571 11.32644 189.5571 11.32644 -0.000000      0.000000 
1 1 1 -4  0  39 o 36.81147 23.14445 22.42576       104.6999 22.42576       104.6999 22.42576       104.6999 36.81147 23.14445 36.81147 23.14445 -0.000000      0.000000 
1 1 1 -4  0  40 o 166.3069 14.02235 835.4233       134.4459 835.4233       134.4459 835.4233       134.4459 166.3069 14.02235 166.3069 14.02235 0.000000       0.000000 
1 1 1 -4  0  41 o 106.2946 21.66693 376.4343       119.4877 376.4343       119.4877 376.4343       119.4877 106.2946 21.66693 106.2946 21.66693 -0.000000      0.000000 
1 1 1 -4  0  42 o 194.2990 11.98058 1130.423       135.3186 1130.423       135.3186 1130.423       135.3186 194.2990 11.98058 194.2990 11.98058 -0.000000      0.000000 
1 1 1 -4  0  43 o 222.3009 11.19042 1475.247       145.0466 1475.247       145.0466 1475.247       145.0466 222.3009 11.19042 222.3009 11.19042 -0.000000      0.000000 
1 1 1 -4  0  44 o 78.13039 38.73476 300.9053       213.9474 300.9053       213.9474 300.9053       213.9474 78.13039 38.73476 78.13039 38.73476 -0.000000      0.000000 
1 1 1 -4  0  45 o 261.6031 11.46007 2046.220       175.0552 2046.220       175.0552 2046.220       175.0552 261.6031 11.46007 261.6031 11.46007 -0.000000      0.000000 
1 1 1 -4  0  46 o 26.61583 18.79497 -130.1816      118.2363 -130.1816      118.2363 -130.1816      118.2363 26.61583 18.79497 26.61583 18.79497 -0.000000      0.000000 
1 1 1 -4  0  47 o 25.62725 18.32608 -177.8255      125.9153 -177.8255      125.9153 -177.8255      125.9153 25.62725 18.32608 25.62725 18.32608 0.000000       0.000000 
1 1 1 -4  0  48 o 142.2556 18.54940 650.3218       147.4887 650.3218       147.4887 650.3218       147.4887 142.2556 18.54940 142.2556 18.54940 0.000000       0.000000 
1 1 1 -4  0  49 f 156.2834 18.82169 784.4919       165.8835 784.4919       165.8835 784.4919       165.8835 156.2834 18.82169 156.2834 18.82169 0.000000       0.000000 
1 1 1 -4  0  50 o 72.03022 33.33375 256.8936       155.3759 256.8936       155.3759 256.8936       155.3759 72.03022 33.33375 72.03022 33.33375 -0.000000      0.000000 
1 1 1 -4  0  51 o 38.19004 25.59933 -23.18152      160.3078 -23.18152      160.3078 -23.18152      160.3078 38.19004 25.59933 38.19004 25.59933 0.000000       0.000000 
1 1 1 -4  0  52 o 163.1116 22.31119 889.2342       202.1214 889.2342       202.1214 889.2342       202.1214 163.1116 22.31119 163.1116 22.31119 0.000000       0.000000 
1 1 1 -4  1  1  o 206.1348 5.713437 1247.422       69.00496 1261.024       97.53471 1233.790       97.64087 207.1427 8.043877 204.8846 8.142120 2.258072       11.44544 
1 1 1 -4  1  2  o 279.5919 6.162071 2293.255       101.0420 2268.741       141.6936 2318.618       144.1272 277.8994 8.704585 280.9374 8.758240 -3.037964      12.34814 
1 1 1 -4  1  3  o 257.9608 5.937676 1952.081       89.82988 1972.195       127.6859 1932.370       126.4011 259.0992 8.414005 256.4670 8.415060 2.632202       11.89995 
1 1 1 -4  1  4  o 582.5637 10.01576 9963.011       342.1984 9818.781       479.0356 10113.30       489.0016 578.0134 14.13121 586.6107 14.21379 -8.597290      20.04302 
1 1 1 -4  1  5  o 736.8453 12.27656 15947.75       530.5220 16023.81       753.0412 15872.81       747.5320 737.9783 17.39901 734.4995 17.35353 3.478821       24.57378 
1 1 1 -4  1  6  o 577.0997 9.929208 9777.291       336.0594 9731.985       473.7797 9823.168       476.7538 575.4329 14.03884 578.1202 14.06130 -2.687317      19.86980 
1 1 1 -4  1  7  o 327.0529 6.591666 3138.300       126.4340 3116.864       178.4477 3159.908       179.1637 325.7102 9.351451 327.9551 9.324516 -2.244934      13.20592 
1 1 1 -4  1  8  f 400.1204 7.489429 4698.354       175.7478 4585.500       244.9915 4818.000       252.2577 394.9888 10.58540 404.8815 10.63266 -9.892639      15.00347 
1 1 1 -4  1  9  o 648.8962 10.97807 12371.76       417.7840 12443.33       593.5519 12301.49       588.1567 650.1202 15.56734 646.4129 15.51431 3.707336       21.97808 
1 1 1 -4  1  10 o 782.7676 12.97936 18027.54       595.8497 18231.11       850.2071 17831.04       835.3078 785.8396 18.44762 777.2039 18.32572 8.635742       26.00282 
1 1 1 -4  1  11 o 297.4272 6.256822 2596.336       109.1403 2626.650       155.3126 2566.763       153.4004 298.8961 8.869859 295.4666 8.862550 3.429413       12.53871 
1 1 1 -4  1  12 o 236.4952 5.681475 1641.266       78.80141 1667.107       112.2801 1616.183       110.6225 238.1276 8.051326 234.4578 8.057012 3.669861       11.39032 
1 1 1 -4  1  13 o 233.1477 5.669099 1595.002       77.51677 1594.089       109.6985 1595.913       109.5521 232.8670 8.044426 233.0014 8.028995 -0.1344452     11.36563 
1 1 1 -4  1  14 o 632.2986 10.74149 11745.67       398.3246 11802.73       565.4218 11689.44       561.2335 633.2357 15.22497 630.1954 15.18511 3.040283       21.50319 
1 1 1 -4  1  15 f 519.3015 8.332494 7914.955       253.7728 7702.884       545.6186 7973.496       286.6671 511.1110 18.23138 521.1561 9.379063 -10.04510      20.50244 
1 1 1 -4  1  16 o 75.87234 7.607062 170.6047       33.39329 76.06641       70.61638 197.8342       37.89846 53.54910 18.50022 81.71836 8.010527 -28.16926      20.16003 
1 1 1 -4  1  17 o 852.5814 12.78766 21349.96       639.4071 21363.39       1403.102 21346.44       718.3312 849.7368 28.19396 852.3293 14.37033 -2.592529      31.64500 
1 1 1 -4  1  18 o 168.0555 5.341783 829.2559       52.58205 854.6638       71.52765 799.3793       77.56298 170.5269 7.168036 164.8578 8.046521 5.669022       10.77624 
1 1 1 -4  1  19 o 28.19196 12.63011 -20.03800      43.08575 -24.03325      60.61351 -15.95753      61.25648 33.95356 15.11125 35.23205 15.45608 -1.278488      21.61575 
1 1 1 -4  1  20 o 613.9987 8.919422 11064.78       321.1846 10969.40       448.1459 11165.51       460.5554 611.0837 12.50455 616.5016 12.73788 -5.417847      17.84986 
1 1 1 -4  1  21 o 748.7258 10.59294 16461.11       465.1465 16323.04       653.0731 16603.27       662.6648 745.0758 14.94551 751.4316 15.03675 -6.355835      21.20076 
1 1 1 -4  1  22 o 213.2892 6.231496 1335.840       77.86564 1429.910       110.7813 1243.987       109.4678 220.5476 8.581100 205.6523 9.098684 14.89528       12.50685 
1 1 1 -4  1  23 o 390.3168 6.548921 4470.337       149.9124 4366.304       207.3432 4584.288       217.0027 385.6270 9.167943 395.1248 9.364409 -9.497833      13.10509 
1 1 1 -4  1  24 o 190.3948 6.193378 1064.864       69.06450 1063.648       94.38531 1066.266       101.3277 190.1393 8.485501 190.3263 9.104163 -0.1870117     12.44546 
1 1 1 -4  1  25 o 351.6560 6.148684 3629.202       126.8092 3552.285       175.4033 3713.424       183.5442 347.7740 8.599834 355.5609 8.801892 -7.786957      12.30571 
1 1 1 -4  1  26 o 302.4045 5.934323 2684.019       105.2471 2634.710       146.1810 2737.088       151.6534 299.3685 8.334069 305.1200 8.483064 -5.751556      11.89198 
1 1 1 -4  1  27 f 438.4494 6.921836 5645.264       177.9882 5391.186       239.5946 5958.146       265.8790 428.1922 9.540867 450.0743 10.07278 -21.88217      13.87404 
1 1 1 -4  1  28 o 188.6748 5.988840 1046.234       66.18455 1165.871       95.32693 934.8953       91.96191 198.9947 8.185621 178.0944 8.832107 20.90034       12.04203 
1 1 1 -4  1  29 o 530.0015 7.927609 8257.549       246.4165 8291.560       348.8642 8223.685       348.1083 530.4349 11.21434 528.2543 11.23623 2.180603       15.87496 
1 1 1 -4  1  30 o 157.1543 6.667657 726.9481       61.31433 668.5891       84.87447 790.6483       88.67332 150.3788 9.674989 163.6315 9.278092 -13.25272      13.40479 
1 1 1 -4  1  31 o 453.7121 7.069398 6051.071       188.1106 6014.767       264.3607 6088.306       267.7284 451.8078 9.976833 454.5469 10.04304 -2.739044      14.15627 
1 1 1 -4  1  32 f 242.2175 6.048762 1723.601       85.92561 1842.316       124.1859 1614.569       119.0134 250.0546 8.480389 234.0421 8.685711 16.01251       12.13913 
1 1 1 -4  1  33 o 80.03368 13.63731 194.7491       61.71782 114.6278       82.64050 295.7928       92.80553 62.48407 19.97088 98.44294 16.66878 -35.95887      26.01316 
1 1 1 -4  1  34 o 488.0207 7.684427 7004.611       219.9380 7078.425       314.1704 6933.668       308.0000 489.8429 10.93599 484.8357 10.83193 5.007202       15.39241 
1 1 1 -4  1  35 f 228.7029 7.216862 1539.469       96.67780 1532.666       137.1683 1546.185       136.2821 227.7618 10.29548 228.7847 10.18241 -1.022903      14.48028 
1 1 1 -4  1  36 o 195.9250 7.531757 1131.006       86.38277 1237.971       119.8276 1015.273       124.6420 204.6316 10.01508 185.0048 11.54519 19.62680       15.28376 
1 1 1 -4  1  37 o 118.5046 10.93924 418.4763       75.17019 410.7711       108.4186 425.6091       104.3136 116.2659 16.35131 118.6215 15.35418 -2.355644      22.43025 
1 1 1 -4  1  38 o 166.8021 8.606625 822.6126       83.91000 923.8383       116.2476 712.4998       121.2433 176.2898 11.30318 154.2375 13.54076 22.05229       17.63842 
1 1 1 -4  1  39 o 263.1453 7.135906 2040.716       110.0257 1925.907       148.9387 2178.638       163.2430 255.0198 9.977505 271.1795 10.28288 -16.15971      14.32788 
1 1 1 -4  1  40 o 90.45860 20.42353 258.5062       105.7766 302.0461       198.5161 241.2434       124.9991 97.13547 30.94251 86.96545 23.81374 10.17002       39.04527 
1 1 1 -4  1  41 o 138.0388 11.26759 570.1990       90.42564 585.7086       133.7554 557.1433       122.7185 138.2548 16.84329 135.1517 15.77894 3.103088       23.07968 
1 1 1 -4  1  42 o 45.80160 18.68776 29.00492       79.27544 92.44794       114.4230 -29.56036      109.9364 61.17922 23.19244 45.75639 20.35841 15.42282       30.86023 
1 1 1 -4  1  43 o 162.6205 13.32816 803.5937       126.0004 0.000000       0.000000 803.5937       126.0004 ?        ?        162.6205 13.32816 0.000000       13.32816 
1 1 1 -4  1  44 o 124.0644 11.94013 467.6512       85.80573 485.3139       129.0992 453.6740       114.8432 123.6147 18.36472 120.2158 16.74262 3.398918       24.85112 
1 1 1 -4  1  45 o 39.76895 17.82150 -27.06636      85.84770 -12.65445      116.1158 -44.44118      127.4943 47.88847 21.13386 47.29379 21.40840 0.5946808      30.08254 
1 1 1 -4  1  46 o 94.37109 17.32339 287.3025       92.34661 273.9727       126.0493 302.7463       135.6771 89.05227 23.71391 93.23765 24.49812 -4.185379      34.09557 
1 1 1 -4  1  47 o 57.05626 20.61536 96.55317       88.47974 170.4339       124.9830 22.32568       125.2760 71.39122 24.61447 52.33620 22.53594 19.05502       33.37276 
1 1 1 -4  1  48 o 37.57754 17.47599 -64.27322      93.16541 54.82544       132.1349 -182.0148      131.3799 56.34234 23.65581 38.47977 18.66570 17.86257       30.13313 
1 1 1 -4  1  49 o 113.0526 16.67956 414.4068       107.2721 387.2395       151.6576 441.6086       151.7538 103.1042 25.27838 111.4787 23.92708 -8.374496      34.80663 
1 1 1 -4  1  50 o 46.96041 20.64798 3.495826       109.8874 225.9697       155.9565 -215.8546      154.8579 78.00201 27.45750 40.89722 19.93482 37.10479       33.93098 
1 1 1 -4  1  51 o 66.76240 25.44071 148.2017       138.1229 133.9435       260.2545 153.7925       162.9681 72.25127 31.77189 68.64352 27.21169 3.607750       41.83215 
1 1 1 -4  1  52 o 88.94453 24.74225 296.8718       133.7526 225.2488       208.4566 346.9930       174.3814 76.83878 30.67260 92.49937 28.94065 -15.66060      42.17072 
1 1 1 -4  2  1  o 567.8870 9.833055 9466.925       327.4922 9366.755       459.4970 9570.339       466.8791 564.5754 13.87747 570.6714 13.94979 -6.096069      19.67691 
1 1 1 -4  2  2  o 581.2193 10.00992 9917.050       341.2095 9813.795       478.7294 10023.66       486.4495 577.8681 14.12573 584.0071 14.20264 -6.139038      20.03126 
1 1 1 -4  2  3  o 342.4864 6.840994 3441.378       137.4083 3415.123       193.4886 3468.093       195.1717 340.9514 9.686183 343.5869 9.695365 -2.635498      13.70483 
1 1 1 -4  2  4  o 356.6427 6.996398 3731.842       146.3384 3633.389       204.1680 3835.857       209.8568 351.6718 9.909071 361.3446 9.912001 -9.672882      14.01561 
1 1 1 -4  2  5  o 326.6086 6.626695 3129.590       126.9332 3054.921       177.7177 3207.351       181.3589 322.4722 9.407027 330.4285 9.368053 -7.956299      13.27602 
1 1 1 -4  2  6  o 761.7709 12.65211 17048.79       565.2466 17186.80       804.5125 16914.25       794.3433 764.1140 17.95246 758.0447 17.86746 6.069336       25.32858 
1 1 1 -4  2  7  o 142.3046 5.365181 594.8894       44.69670 600.8898       64.13282 589.2222       62.32722 142.8883 7.681258 141.4999 7.537735 1.388397       10.76193 
1 1 1 -4  2  8  o 355.1583 6.933379 3701.423       144.4167 3635.324       202.4125 3769.959       206.1098 351.7124 9.822561 358.1711 9.821269 -6.458740      13.89029 
1 1 1 -4  2  9  f 520.6215 9.130008 7959.408       278.7685 7985.580       395.2730 7933.508       393.2115 521.1050 12.93366 519.4061 12.90829 1.698853       18.27303 
1 1 1 -4  2  10 o 714.1288 11.95795 14998.81       500.8226 15183.45       714.6558 14820.62       702.0527 717.4351 16.98493 708.8353 16.88783 8.599792       23.95176 
1 1 1 -4  2  11 o 176.5965 5.364790 915.9402       55.49853 949.4602       79.69353 884.3765       77.33323 179.6642 7.580325 173.3826 7.623829 6.281616       10.75100 
1 1 1 -4  2  12 o 95.06164 6.113465 266.3044       33.90274 239.7640       48.33586 292.0049       47.56486 89.85958 9.306354 99.37569 8.235109 -9.516106      12.42680 
1 1 1 -4  2  13 o 678.0054 13.19953 13525.71       524.8582 13777.02       922.6002 13405.45       638.1926 681.5153 23.11620 674.4205 16.13506 7.094727       28.19040 
1 1 1 -4  2  14 o 445.5266 7.407540 5825.631       193.5522 5916.723       428.8504 5802.329       216.8997 447.9534 16.35128 444.5845 8.318674 3.368896       18.34570 
1 1 1 -4  2  15 o 591.8821 9.142470 10283.64       317.3579 10573.34       720.9080 10214.00       353.4485 598.5401 20.56751 589.7977 10.21816 8.742432       22.96592 
1 1 1 -4  2  16 o 334.8037 6.143307 3288.325       120.6266 3515.551       277.4567 3235.367       133.9481 345.6324 13.71492 332.0799 6.877704 13.55249       15.34281 
1 1 1 -4  2  17 o 415.3503 7.153218 5061.392       174.2475 4972.866       374.2435 5085.895       196.8907 411.0215 15.55333 416.3258 8.063830 -5.304382      17.51946 
1 1 1 -4  2  18 o 414.0005 7.027468 5028.497       170.6280 5217.542       388.4163 4983.292       189.9360 420.9970 15.75924 412.1098 7.858576 8.887177       17.60996 
1 1 1 -4  2  19 o 600.5219 8.699886 10583.44       306.4029 10619.39       433.2968 10547.49       433.3416 601.3008 12.28692 599.2584 12.33008 2.042419       17.40687 
1 1 1 -4  2  20 o 231.7118 6.109769 1576.163       82.95535 1471.326       108.7970 1721.757       128.2127 223.7573 8.305072 242.0321 9.048422 -18.27483      12.28203 
1 1 1 -4  2  21 o 469.1013 7.401484 6457.222       203.6273 6357.827       279.6829 6569.341       297.0456 465.3335 10.24828 472.9827 10.70847 -7.649170      14.82223 
1 1 1 -4  2  22 o 447.7523 7.055567 5882.862       185.2765 5763.627       252.4918 6021.963       272.7164 443.0578 9.717093 452.8446 10.26861 -9.786743      14.13740 
1 1 1 -4  2  23 o 412.5739 6.731392 4994.931       162.8760 4975.821       227.8022 5014.917       232.9676 411.6443 9.435944 413.2475 9.612463 -1.603241      13.46984 
1 1 1 -4  2  24 o 172.2165 6.618305 871.6925       66.72108 917.0460       92.14818 821.7120       96.73453 176.4861 8.931822 166.9517 9.924404 9.534424       13.35183 
1 1 1 -4  2  25 o 158.8501 6.791338 742.0335       63.12334 724.8447       85.69770 762.4202       93.32957 156.7938 9.362071 160.7660 9.947338 -3.972229      13.66008 
1 1 1 -4  2  26 o 140.2757 8.259378 580.0169       67.64788 527.4167       79.78938 714.4839       127.5732 133.5400 10.26662 155.0559 14.18580 -21.51595      17.51115 
1 1 1 -4  2  27 o 149.9100 6.662794 661.1797       58.43203 646.9720       80.51904 676.9858       84.92784 148.0504 9.320694 151.4281 9.612596 -3.377747      13.38945 
1 1 1 -4  2  28 o 309.0374 6.599416 2804.854       119.6099 3077.642       205.0942 2664.255       147.2425 323.1161 10.83825 300.9383 8.350748 22.17786       13.68220 
1 1 1 -4  2  29 o 456.3699 7.180466 6119.900       192.1853 5684.016       250.0150 6749.466       300.4700 439.4465 9.700846 478.6711 10.70319 -39.22455      14.44523 
1 1 1 -4  2  30 o 176.3367 6.195328 914.4969       63.97089 911.1100       89.05721 918.1074       91.94908 175.7629 8.666278 176.4087 8.916357 -0.6458130     12.43406 
1 1 1 -4  2  31 o 328.4081 6.067886 3168.291       116.8697 3041.365       157.9931 3321.665       173.6750 321.3927 8.389249 335.8139 8.826017 -14.42123      12.17695 
1 1 1 -4  2  32 o 169.7769 6.824423 848.5900       67.81240 852.5732       95.20473 844.4880       96.61321 169.8489 9.596560 169.0125 9.788802 0.8364258      13.70819 
1 1 1 -4  2  33 o 79.40421 13.61150 191.7439       61.10693 49.59000       85.46180 340.4444       87.40754 51.07322 19.86669 106.2567 14.39624 -55.18350      24.53441 
1 1 1 -4  2  34 o 220.7060 7.001914 1433.346       90.51731 1486.963       124.8238 1373.880       131.4550 224.4780 9.502915 215.6172 10.42635 8.860733       14.10724 
1 1 1 -4  2  35 o 245.9017 6.924471 1778.994       99.76219 1737.166       137.1236 1826.030       145.4110 242.6131 9.656411 248.6953 9.989960 -6.082214      13.89408 
1 1 1 -4  2  36 o 251.3351 6.715935 1858.578       98.90558 1800.456       136.4042 1923.014       143.6220 246.9675 9.434890 255.2148 9.612614 -8.247284      13.46921 
1 1 1 -4  2  37 f 121.8074 10.84092 441.8358       76.63620 407.2466       109.6988 474.8102       107.1076 115.6777 16.64853 125.5045 14.83821 -9.826805      22.30126 
1 1 1 -4  2  38 o 127.2994 10.86117 482.8582       80.31364 412.5627       109.2728 565.4454       118.4417 116.3357 16.47629 136.9171 14.99514 -20.58139      22.27830 
1 1 1 -4  2  39 o 94.94368 14.68911 275.0811       79.15382 326.4377       107.5039 214.2759       116.9759 102.5795 18.55226 82.41582 23.21592 20.16367       29.71810 
1 1 1 -4  2  40 o 44.19635 18.68153 8.457232       83.29798 57.80378       119.2225 -38.60421      116.4294 57.90414 23.16882 46.80479 20.87984 11.09935       31.18913 
1 1 1 -4  2  41 f 192.0258 8.896429 1093.103       99.91803 1133.583       148.1431 1059.320       135.3348 194.3565 13.07269 188.0916 12.33654 6.264923       17.97458 
1 1 1 -4  2  42 o 144.8078 11.69026 630.5051       98.43787 535.6288       175.9106 673.7595       118.7760 128.2855 24.26974 149.0363 13.74365 -20.75081      27.89101 
1 1 1 -4  2  43 o 116.3974 12.56508 412.2670       84.41692 458.6034       120.2452 367.2354       118.5401 120.9153 17.46172 107.0788 19.59806 13.83659       26.24872 
1 1 1 -4  2  44 o 136.6078 11.11022 563.7374       88.24425 548.9880       129.6879 576.4538       120.4193 132.2107 17.12775 136.4014 15.31751 -4.190720      22.97794 
1 1 1 -4  2  45 o 160.5285 9.879037 774.2275       92.55683 757.7747       124.9035 794.2651       137.8409 157.0941 13.69374 160.2430 14.83565 -3.148911      20.18948 
1 1 1 -4  2  46 f 201.3641 8.924301 1214.626       105.1300 1124.751       143.0777 1320.088       154.9880 191.6288 12.80441 207.6737 12.78725 -16.04495      18.09604 
1 1 1 -4  2  47 o 38.70443 17.61192 -38.59256      87.67377 -208.7856      121.0661 149.0922       127.1353 35.23722 17.27131 68.24625 24.70440 -33.00903      30.14308 
1 1 1 -4  2  48 o 95.14353 18.67747 300.2013       100.4971 434.3111       145.2228 176.9564       139.2160 111.9630 22.88945 72.16419 25.88646 39.79881       34.55482 
1 1 1 -4  2  49 o 88.27661 20.16943 266.3730       102.1302 389.1767       144.9572 145.3268       143.9162 104.2267 24.18275 67.54688 25.91198 36.67982       35.44342 
1 1 1 -4  2  50 o 155.8927 12.30381 753.2855       111.5792 801.5039       166.6296 714.0888       150.2345 155.6695 18.62039 147.6499 17.70195 8.019669       25.69199 
1 1 1 -4  2  51 o 43.53642 19.81972 -33.70306      111.1924 -229.6824      175.9197 96.68022       143.4896 43.54502 21.23027 60.96844 25.03929 -17.42342      32.82820 
1 1 1 -4  2  52 o 94.35644 23.74338 327.5346       131.2653 497.6698       189.6846 171.1838       181.8382 111.7728 28.76817 70.75105 28.50785 41.02170       40.50068 
1 1 1 -4  3  1  o 109.5972 7.377151 354.0303       47.14129 367.6934       65.20998 339.0732       68.22809 111.4616 10.08458 106.8932 11.04211 4.568390       14.95416 
1 1 1 -4  3  2  o 703.4820 11.80237 14534.37       486.9369 14368.29       682.8106 14706.24       694.6063 698.9169 16.65805 707.0766 16.75027 -8.159668      23.62334 
1 1 1 -4  3  3  o 232.8622 5.846922 1591.682       79.78719 1594.074       112.6124 1589.272       113.0612 232.9206 8.256866 232.5664 8.302587 0.3541718      11.70935 
1 1 1 -4  3  4  o 252.8584 5.951178 1875.625       88.25328 1854.030       124.2093 1897.643       125.4175 251.2071 8.442852 254.1488 8.425978 -2.941696      11.92807 
1 1 1 -4  3  5  o 838.9780 13.82041 20686.03       680.0203 20405.43       951.6058 20978.86       972.1097 832.3637 19.49366 843.9502 19.64029 -11.58649      27.67208 
1 1 1 -4  3  6  o 145.5146 5.537518 622.0505       47.17141 602.7973       66.68694 641.3310       66.73399 143.0977 7.977745 147.6307 7.734591 -4.532990      11.11163 
1 1 1 -4  3  7  o 76.77574 6.850247 174.3333       30.52106 177.3465       43.81469 171.4929       42.54013 77.08459 9.921560 75.79761 9.798622 1.286980       13.94455 
1 1 1 -4  3  8  o 351.7463 6.908732 3630.771       142.5208 3737.474       205.4538 3531.799       197.8699 356.6082 9.833022 346.6569 9.742271 9.951355       13.84197 
1 1 1 -4  3  9  o 478.4919 8.555746 6722.702       240.0949 6632.711       336.7113 6815.788       342.4525 474.8118 12.10152 481.3191 12.14125 -6.507294      17.14225 
1 1 1 -4  3  10 o 383.3671 7.291520 4314.639       163.9394 4349.934       233.4348 4280.290       230.2879 384.5707 10.35940 381.4838 10.30249 3.086914       14.61022 
1 1 1 -4  3  11 o 152.6084 5.329428 684.2118       47.62582 651.2551       67.13930 717.5916       67.56892 148.7251 7.723831 156.1598 7.398850 -7.434708      10.69582 
1 1 1 -4  3  12 o 628.7541 9.688581 11616.44       357.2658 12054.94       812.2252 11511.25       397.8169 637.5170 21.75560 625.7394 10.84025 11.77759       24.30672 
1 1 1 -4  3  13 o 593.1447 9.219133 10333.20       320.7017 10128.94       699.2423 10387.61       360.8981 585.0892 20.40895 594.5809 10.34959 -9.491699      22.88317 
1 1 1 -4  3  14 o 920.6821 13.75147 24927.06       742.5219 24839.16       1621.092 24950.39       835.2961 913.6064 30.29696 920.7672 15.46821 -7.160828      34.01722 
1 1 1 -4  3  15 o 437.4019 7.326042 5613.882       187.9319 5518.249       407.9324 5639.647       211.7402 432.8275 16.09831 438.3670 8.235973 -5.539551      18.08278 
1 1 1 -4  3  16 o 173.5956 5.284369 884.7607       53.73736 931.5734       121.7825 873.4421       59.88245 177.7232 11.74989 172.4531 5.929587 5.270065       13.16131 
1 1 1 -4  3  17 o 382.4700 6.737773 4291.512       151.1347 4344.188       334.1075 4277.959       169.4642 384.1920 14.85616 381.8432 7.567326 2.348816       16.67243 
1 1 1 -4  3  18 o 817.5978 12.35276 19632.31       592.3171 18645.11       1244.289 19921.56       673.5240 794.0744 26.75656 823.4239 13.94695 -29.34949      30.17335 
1 1 1 -4  3  19 o 447.7798 7.562871 5883.228       198.6103 6127.668       450.7207 5824.327       221.2487 456.1225 16.87816 445.4980 8.468071 10.62445       18.88334 
1 1 1 -4  3  20 o 303.5295 6.096115 2702.753       108.5187 2575.652       140.9081 2888.027       170.1247 296.1469 8.120605 313.5373 9.261984 -17.39038      12.31782 
1 1 1 -4  3  21 o 297.1667 6.310841 2590.813       109.9861 2481.219       144.7312 2740.613       169.2094 290.6311 8.500340 305.3969 9.458738 -14.76581      12.71706 
1 1 1 -4  3  22 o 235.0192 5.988514 1621.520       82.47439 1677.917       114.9042 1561.590       118.4494 238.9564 8.211310 230.4783 8.779037 8.478088       12.02070 
1 1 1 -4  3  23 o 311.9719 5.972984 2855.603       109.2842 2750.669       146.9114 2985.607       163.5220 306.0006 8.193579 318.7709 8.755050 -12.77026      11.99107 
1 1 1 -4  3  24 o 526.4672 7.719798 8136.815       238.3569 8362.056       347.3118 7936.274       327.7162 533.3820 11.10275 519.6628 10.75290 13.71918       15.45626 
1 1 1 -4  3  25 o 270.6696 5.900903 2149.989       93.67171 2136.350       128.8560 2165.274       136.4102 269.5916 8.159204 271.3778 8.581601 -1.786224      11.84130 
1 1 1 -4  3  26 o 139.0990 7.193091 569.6553       58.48069 550.8830       79.28731 592.0526       86.60464 136.5240 9.971239 141.5007 10.51102 -4.976700      14.48817 
1 1 1 -4  3  27 o 498.7516 7.527206 7307.171       220.1753 7188.705       307.3643 7432.030       315.5468 494.2668 10.60331 502.5453 10.70626 -8.278442      15.06832 
1 1 1 -4  3  28 o 365.3030 6.307099 3918.731       135.1243 3899.026       189.0838 3939.298       193.1709 364.1319 8.854112 365.9906 8.999562 -1.858673      12.62487 
1 1 1 -4  3  29 f 237.1910 5.766747 1651.955       80.21944 1620.235       110.4828 1687.324       116.6642 234.6180 8.041283 239.4001 8.321922 -4.782150      11.57224 
1 1 1 -4  3  30 o 147.3596 6.912584 639.5316       59.57409 543.6420       80.44142 756.0095       88.65755 135.4628 10.20026 159.9625 9.493022 -24.49966      13.93423 
1 1 1 -4  3  31 o 371.1924 6.329567 4048.255       137.7919 4008.448       190.2789 4092.147       199.8042 369.0281 8.791860 372.8046 9.138453 -3.776489      12.68102 
1 1 1 -4  3  32 o 173.5449 6.778937 886.5728       68.86328 853.7061       93.14717 926.1888       102.2649 169.9906 9.379523 177.0097 9.890305 -7.019058      13.63061 
1 1 1 -4  3  33 o 146.7327 7.968379 635.2371       68.31480 631.6516       91.89800 639.6658       102.1341 145.9420 10.81364 146.6852 11.97643 -0.7432709     16.13597 
1 1 1 -4  3  34 o 142.2896 9.294616 598.7837       77.13853 585.2361       110.6741 611.5827       107.5727 139.9721 13.65544 143.2462 12.94421 -3.274094      18.81552 
1 1 1 -4  3  35 o 239.5576 6.854117 1688.374       96.19785 1680.408       135.1395 1696.557       136.9675 238.6027 9.677399 239.7345 9.762155 -1.131851      13.74597 
1 1 1 -4  3  36 o 160.1099 8.674908 757.2509       81.15375 798.4556       116.3860 718.2596       113.2170 163.8507 12.19915 155.2944 12.53748 8.556290       17.49307 
1 1 1 -4  3  37 o 104.7914 12.52259 329.8586       75.43935 209.2712       102.7937 470.6197       111.0598 81.74461 21.24838 124.7736 15.51081 -43.02900      26.30740 
1 1 1 -4  3  38 f 179.4226 8.779248 951.8415       92.10101 985.0898       123.8737 910.7416       137.7257 181.9709 11.66867 174.4962 13.56441 7.474686       17.89277 
1 1 1 -4  3  39 o 165.6568 8.949844 812.4984       86.62826 837.7845       120.1372 785.1103       125.0311 167.5161 12.31448 161.8976 13.28497 5.618454       18.11455 
1 1 1 -4  3  40 o 128.8933 13.86819 501.5042       103.1861 592.5278       189.5299 463.1582       123.0157 136.5036 24.57841 122.7428 17.59110 13.76073       30.22491 
1 1 1 -4  3  41 o 41.82993 18.37586 -16.91319      86.85738 28.28517       127.7338 -55.78647      118.4596 55.61424 23.29827 45.54514 20.62448 10.06910       31.11557 
1 1 1 -4  3  42 o 82.89845 17.58305 217.5574       82.83229 247.5460       122.1007 191.9892       112.7431 86.99661 23.41701 77.23099 23.10369 9.765625       32.89585 
1 1 1 -4  3  43 o 38.33237 17.22311 -30.77104      80.76397 -26.38721      117.6387 -34.67956      111.0784 47.35591 21.06543 45.20169 20.26276 2.154213       29.22896 
1 1 1 -4  3  44 o 118.9799 12.68789 432.5172       87.17030 485.7641       133.1723 392.6003       115.3041 123.2844 19.03046 110.9206 18.36704 12.36382       26.44819 
1 1 1 -4  3  45 o 32.96393 15.59580 -83.70834      79.86562 -33.21329      114.0572 -132.2843      111.8687 45.52478 20.46004 37.61821 17.98330 7.906570       27.23990 
1 1 1 -4  3  46 o 150.5513 10.89543 687.4886       95.55006 593.5114       132.8219 788.2889       137.5590 136.6658 16.93337 159.0313 14.92313 -22.36552      22.57075 
1 1 1 -4  3  47 o 49.99685 20.04480 52.17230       89.42241 65.89493       124.9123 37.74673       128.0717 57.01210 23.38259 54.32643 23.07259 2.685677       32.84951 
1 1 1 -4  3  48 f 42.03678 19.22428 -45.83831      106.1554 5.188311       132.5872 -136.9605      177.1802 51.45313 22.64991 48.84795 23.14579 2.605179       32.38435 
1 1 1 -4  3  49 o 187.6183 10.30438 1070.579       112.9476 1084.587       166.1858 1058.554       153.9760 184.7830 15.47697 183.4576 14.42689 1.325363       21.15826 
1 1 1 -4  3  50 o 47.86670 20.82953 13.63837       109.3108 105.4445       162.0210 -63.06279      148.0936 63.89751 26.46058 48.01862 22.22857 15.87889       34.55824 
1 1 1 -4  3  51 f 44.69232 20.23795 -26.45355      114.0553 70.45069       173.3741 -100.3885      151.4390 61.22987 26.43946 45.96092 21.66316 15.26895       34.18095 
1 1 1 -4  4  1  o 601.6616 14.52706 10639.94       512.6024 10504.04       717.4968 10781.62       732.5977 596.7656 20.53114 604.5806 20.69195 -7.815002      29.14934 
1 1 1 -4  4  2  o 349.1043 7.968097 3576.321       163.1399 3639.503       279.9645 3543.837       200.7442 351.6769 13.59966 347.3105 9.865404 4.366394       16.80110 
1 1 1 -4  4  3  o 463.3550 8.396767 6300.688       228.1794 6240.645       320.5987 6362.329       324.8319 460.8098 11.87275 465.2801 11.91382 -4.470276      16.81967 
1 1 1 -4  4  4  o 383.1829 7.340063 4308.264       164.9516 4282.797       232.3254 4334.151       234.2398 381.7894 10.38547 384.0715 10.40875 -2.282166      14.70374 
1 1 1 -4  4  5  o 975.8696 18.40421 28040.93       1053.318 28892.32       1870.902 27645.84       1274.499 985.8182 32.40367 968.0001 22.44985 17.81812       39.42073 
1 1 1 -4  4  6  o 1069.168 24.65872 33787.75       1546.204 33728.86       2184.283 33846.91       2189.051 1063.396 35.07179 1065.249 35.08706 -1.853516      49.60980 
1 1 1 -4  4  7  o 239.2477 5.812932 1679.306       81.56306 1709.214       117.6227 1651.606       113.1996 241.1630 8.328799 237.0701 8.153882 4.092865       11.65567 
1 1 1 -4  4  8  o 330.5271 6.689990 3205.969       129.6830 3307.909       187.1169 3111.744       179.8951 335.4780 9.520018 325.3773 9.437150 10.10077       13.40487 
1 1 1 -4  4  9  o 582.8334 11.59740 9987.634       396.4201 9994.662       688.9670 9984.156       484.6900 581.1191 20.24635 582.3479 14.19159 -1.228821      24.72480 
1 1 1 -4  4  10 o 156.1572 4.894886 716.1440       44.77324 682.8741       110.1795 722.7246       49.00157 151.8338 12.48334 156.8517 5.334612 -5.017838      13.57542 
1 1 1 -4  4  11 o 230.8272 5.100626 1563.327       69.04957 1541.578       159.8882 1568.314       76.55673 228.6032 11.96737 231.1796 5.646552 -2.576401      13.23259 
1 1 1 -4  4  12 o 165.6371 4.974377 805.6569       48.26745 876.5641       117.3963 791.2319       52.94993 172.2571 11.68980 164.1196 5.508969 8.137466       12.92286 
1 1 1 -4  4  13 o 680.0876 10.45153 13588.72       416.8649 12759.88       871.8670 13834.35       474.6326 656.3239 22.68480 686.0278 11.79683 -29.70398      25.56883 
1 1 1 -4  4  14 o 486.5155 7.778763 6946.745       221.9514 7379.661       519.3708 6850.019       245.4975 500.2497 17.73077 483.0674 8.665406 17.18231       19.73498 
1 1 1 -4  4  15 o 841.6777 12.61708 20811.62       622.8093 21120.00       1385.328 20733.50       697.2456 844.4159 28.01221 839.8983 14.15496 4.517639       31.38545 
1 1 1 -4  4  16 o 354.2222 6.325251 3680.854       131.4026 3850.560       303.4312 3641.682       145.7815 361.7103 14.33208 352.3149 7.055388 9.395447       15.97458 
1 1 1 -4  4  17 o 306.8881 5.982941 2762.703       107.6825 2896.798       244.1931 2730.333       119.9778 313.7487 13.30110 305.0711 6.705781 8.677612       14.89586 
1 1 1 -4  4  18 o 336.9680 6.345374 3331.020       125.3997 3218.304       272.5275 3361.295       141.2399 330.6514 14.08593 338.4778 7.115030 -7.826416      15.78091 
1 1 1 -4  4  19 f 205.0841 6.414223 1235.101       77.05348 1153.678       167.8810 1256.832       86.72816 197.5874 14.59037 206.8463 7.160067 -9.258942      16.25255 
1 1 1 -4  4  20 o 667.0905 10.46847 13065.98       409.5608 12357.85       854.4063 13277.23       466.6704 646.8810 22.55561 672.3429 11.83502 -25.46185      25.47201 
1 1 1 -4  4  21 o 652.8140 9.358012 12510.70       358.2808 11952.75       477.5577 13229.09       541.8888 637.7862 12.76733 670.8617 13.77294 -33.07550      18.78027 
1 1 1 -4  4  22 o 265.9452 5.955966 2075.011       92.89555 2036.821       124.4448 2123.073       139.6069 263.3087 8.068144 268.7806 8.868570 -5.471832      11.98943 
1 1 1 -4  4  23 o 497.6793 7.500742 7269.779       218.9295 7260.213       307.9533 7279.553       311.3000 497.1260 10.56253 497.7790 10.66331 -0.6529541     15.00910 
1 1 1 -4  4  24 o 753.5186 10.54614 16685.95       466.0558 16425.52       649.5851 16962.22       669.0508 746.8241 14.83089 758.8828 15.03259 -12.05865      21.11715 
1 1 1 -4  4  25 o 722.9181 14.55159 15399.21       616.9501 15399.21       616.9501 0.000000       0.000000 722.9181 14.55159 ?        ?        0.000000       14.55159 
1 1 1 -4  4  26 o 129.6102 7.539538 495.0209       57.06311 524.9705       77.22378 458.9994       84.69099 133.2542 9.953330 124.3316 11.75416 8.922554       15.40224 
1 1 1 -4  4  27 o 478.4534 7.397563 6724.398       207.5768 6677.947       290.5360 6772.833       296.6761 476.3950 10.39878 479.7444 10.54441 -3.349426      14.80943 
1 1 1 -4  4  28 o 289.6262 5.867273 2462.876       99.66087 2477.236       138.6899 2447.544       143.3069 290.1855 8.157366 288.4021 8.481844 1.783356       11.76793 
1 1 1 -4  4  29 o 273.6302 6.650810 2199.550       106.7306 2425.936       175.3654 2066.356       134.5124 286.8000 10.44335 264.9082 8.669653 21.89178       13.57301 
1 1 1 -4  4  30 o 74.94696 12.20977 170.0352       51.82178 158.5888       70.69113 183.3322       76.19173 71.65098 17.06738 77.05676 17.28613 -5.405777      24.29209 
1 1 1 -4  4  31 o 125.6947 7.857175 466.4957       57.63103 460.0531       79.17658 473.7551       84.04643 124.4139 10.96322 126.1866 11.48241 -1.772697      15.87570 
1 1 1 -4  4  32 o 165.9937 6.932542 811.3668       67.34071 775.0065       91.70199 853.9235       99.20862 161.8964 9.702604 169.9252 9.999190 -8.028824      13.93285 
1 1 1 -4  4  33 o 114.6594 10.02886 390.3879       66.76090 334.4520       90.57397 456.9296       98.78826 105.1551 15.12089 123.4739 13.88228 -18.31887      20.52703 
1 1 1 -4  4  34 o 125.3197 10.37193 466.1347       75.54852 527.2830       103.8715 397.4553       110.0823 132.8181 13.52328 114.4259 16.91264 18.39222       21.65447 
1 1 1 -4  4  35 o 43.33057 17.67674 21.64363       70.91614 -79.18656      98.78561 128.8611       101.8665 39.32022 18.18537 66.94508 22.22678 -27.62486      28.71824 
1 1 1 -4  4  36 o 218.6612 7.375883 1408.204       94.45267 1409.565       130.3785 1406.701       137.0215 218.3314 10.21042 218.0107 10.74983 0.3206940      14.82605 
1 1 1 -4  4  37 o 413.9810 7.239987 5043.554       175.7797 4850.865       236.4613 5281.559       262.7996 405.3533 9.946625 422.6400 10.61077 -17.28668      14.54386 
1 1 1 -4  4  38 o 269.0833 7.218834 2133.368       113.8183 2033.773       155.7069 2247.647       166.7908 262.1112 10.14829 275.5190 10.34050 -13.40781      14.48840 
1 1 1 -4  4  39 o 208.5256 11.75784 1294.153       143.2104 0.000000       0.000000 1294.153       143.2104 ?        ?        208.5256 11.75784 0.000000       11.75784 
1 1 1 -4  4  40 o 135.5811 11.74335 550.1879       92.45754 582.8344       132.9447 519.6072       128.6695 138.1829 16.74591 130.2021 17.27623 7.980820       24.06021 
1 1 1 -4  4  41 o 231.6086 8.132948 1586.903       110.3008 1580.554       158.3921 1592.880       153.6918 230.0440 11.77932 231.0825 11.37548 -1.038483      16.37541 
1 1 1 -4  4  42 o 38.59438 17.19092 -24.58735      78.61226 -53.18201      114.0281 1.313928       108.5250 44.46354 20.17458 48.53678 20.93815 -4.073246      29.07611 
1 1 1 -4  4  43 o 53.21669 19.69979 73.76740       81.53893 10.00101       121.6393 125.8025       109.8819 51.67987 22.22934 65.19227 23.03877 -13.51240      32.01450 
1 1 1 -4  4  44 o 74.58128 18.79974 180.8661       82.19238 235.8207       123.6832 137.4042       109.9927 83.69456 23.97201 66.70737 23.08698 16.98720       33.28162 
1 1 1 -4  4  45 o 126.0315 12.15896 484.8881       88.75794 547.9540       127.5512 425.6804       123.5880 131.7604 16.89453 114.8379 19.01505 16.92255       25.43614 
1 1 1 -4  4  46 o 43.46773 18.71110 6.892232       86.30670 105.4671       123.0668 -88.50968      121.0699 62.11591 23.92725 42.26421 19.74407 19.85170       31.02163 
1 1 1 -4  4  47 f 43.49666 18.83404 4.667381       88.46080 49.96931       123.6154 -42.88187      126.6445 54.96466 22.96531 46.59679 21.18920 8.367867       31.24720 
1 1 1 -4  4  48 o 37.96732 17.87603 -87.33512      102.6168 -105.6720      142.3282 -67.48431      148.0871 44.77592 21.07270 48.26255 22.30151 -3.486637      30.68250 
1 1 1 -4  4  49 o 64.44729 26.16152 113.0892       154.4234 113.0892       154.4234 0.000000       0.000000 64.44729 26.16152 ?        ?        0.000000       26.16152 
1 1 1 -4  4  50 o 139.8898 14.77541 622.2546       119.3911 683.0985       177.2579 571.7316       161.5255 140.1740 22.30885 128.0504 22.31941 12.12360       31.55695 
1 1 1 -4  4  51 o 51.47075 22.01946 36.66432       118.1534 62.20096       173.5535 14.60465       161.3062 60.53350 26.29479 55.29066 24.62670 5.242832       36.02624 
1 1 1 -4  5  1  o 408.0264 10.67649 4891.624       255.2667 4950.973       363.2251 4833.707       358.8185 410.0912 15.12829 405.1992 15.12582 4.892090       21.39288 
1 1 1 -4  5  2  o 424.0285 10.97895 5283.262       272.7979 5236.902       383.4349 5330.781       388.1982 421.7295 15.52921 425.4918 15.58282 -3.762268      21.99956 
1 1 1 -4  5  3  o 537.4057 10.83777 8480.647       341.5802 8668.248       597.0510 8389.366       416.4721 542.2389 18.80303 534.3187 13.29031 7.920166       23.02577 
1 1 1 -4  5  4  f 1173.210 26.98140 40725.52       1856.482 39467.07       2558.629 42124.62       2697.823 1149.308 38.01178 1186.947 38.80750 -37.63916      54.32235 
1 1 1 -4  5  5  o 556.8632 11.23320 9108.297       366.8617 9231.430       644.6570 9049.321       446.1508 559.3162 19.68332 554.8325 13.71100 4.483704       23.98801 
1 1 1 -4  5  6  o 346.7976 6.929710 3529.166       140.9424 3523.129       199.4721 3535.185       199.1736 346.2410 9.833161 346.8358 9.801511 -0.5948181     13.88383 
1 1 1 -4  5  7  o 454.7126 8.277175 6069.802       220.7342 6120.814       314.5736 6020.324       309.8115 456.2115 11.76707 452.4577 11.68511 3.753876       16.58329 
1 1 1 -4  5  8  o 506.1312 8.185333 7521.211       242.9685 7657.892       544.3039 7487.199       271.5213 509.1299 18.25854 504.9054 9.169452 4.224487       20.43167 
1 1 1 -4  5  9  o 376.3780 6.518456 4157.815       143.8863 4102.250       325.1677 4171.344       160.4497 372.8437 14.90066 376.9486 7.257821 -4.104919      16.57425 
1 1 1 -4  5  10 o 176.1869 4.993792 911.5179       51.54852 891.5612       126.7127 915.4758       56.42900 173.6071 12.52950 176.5458 5.456525 -2.938721      13.66609 
1 1 1 -4  5  11 o 253.8904 5.316779 1891.401       79.16722 1895.330       183.4969 1890.502       87.75458 253.5063 12.37954 253.8119 5.895318 -0.3056183     13.71160 
1 1 1 -4  5  12 o 925.6595 13.77462 25218.46       747.7933 24842.30       1627.240 25319.16       841.9641 911.7620 30.47406 927.0574 15.48590 -15.29535      34.18306 
1 1 1 -4  5  13 o 995.9136 16.67248 29213.21       973.8060 0.000000       0.000000 29213.21       973.8060 ?        ?        995.9136 16.67248 0.000000       16.67248 
1 1 1 -4  5  14 f 813.8206 12.26461 19458.85       585.3734 18500.28       1234.542 19736.87       664.8665 790.2448 26.67575 819.3983 13.83531 -29.15350      30.05015 
1 1 1 -4  5  15 o 340.1268 6.226614 3393.785       124.2062 3314.661       274.9089 3414.080       139.2267 335.5635 13.99970 341.1245 6.959198 -5.560974      15.63400 
1 1 1 -4  5  16 o 680.8182 10.46181 13606.79       417.7230 13897.89       931.8839 13533.59       467.3013 686.2180 23.18855 678.8889 11.73675 7.329102       25.98961 
1 1 1 -4  5  17 o 496.7958 8.024049 7241.949       233.7879 7560.182       535.8137 7167.119       259.8249 506.6138 18.06267 494.1831 8.964837 12.43069       20.16502 
1 1 1 -4  5  18 o 573.9335 9.033366 9667.481       304.0617 10032.76       692.9849 9580.392       338.3731 583.3251 20.28730 571.2817 10.09939 12.04333       22.66213 
1 1 1 -4  5  19 o 104.5410 9.682406 323.5481       58.68916 307.6190       130.5353 327.5838       65.70456 100.1666 22.74189 105.0732 10.81670 -4.906662      25.18322 
1 1 1 -4  5  20 o 841.3668 12.77203 20798.51       630.2253 19727.66       1320.305 21114.50       717.2064 816.0682 27.62638 847.5076 14.42946 -31.43945      31.16771 
1 1 1 -4  5  21 o 531.7045 8.736187 8298.366       272.4224 8288.148       593.0834 8301.098       306.6906 530.0428 19.11022 531.7214 9.834805 -1.678589      21.49241 
1 1 1 -4  5  22 o 104.8100 8.765328 324.7309       53.38626 360.6711       69.00905 271.1615       84.25078 110.2848 10.80803 94.74730 15.71216 15.53745       19.07054 
1 1 1 -4  5  23 o 577.2647 8.417557 9783.593       284.9782 9629.557       395.8932 9949.243       410.5461 572.3677 11.79376 581.7626 12.03277 -9.394897      16.84875 
1 1 1 -4  5  24 o 422.6390 6.821356 5242.871       169.0795 5070.375       229.3394 5448.269       250.2564 415.4514 9.412564 430.6131 9.909402 -15.16171      13.66721 
1 1 1 -4  5  25 o 184.3422 6.234646 998.5377       67.30724 1014.506       90.95990 979.2128       100.0637 185.6599 8.375316 182.3074 9.390471 3.352402       12.58280 
1 1 1 -4  5  26 o 226.6224 5.710693 1508.333       75.83961 1457.010       102.6426 1570.037       112.5472 222.5741 7.875672 231.0176 8.320492 -8.443512      11.45674 
1 1 1 -4  5  27 o 502.4462 7.675496 7417.142       226.1760 7324.405       315.2192 7515.549       324.7144 498.8294 10.77482 505.2636 10.95805 -6.434204      15.36800 
1 1 1 -4  5  28 o 178.8306 6.249694 940.2978       65.44601 875.6261       87.37830 1022.940       98.77535 172.3438 8.672722 186.2686 9.069131 -13.92482      12.54852 
1 1 1 -4  5  29 o 155.3827 6.817038 710.7169       61.97129 737.2963       83.99814 678.9692       91.80221 158.0342 9.101415 151.4722 10.39709 6.562012       13.81793 
1 1 1 -4  5  30 o 479.6034 7.445329 6762.576       209.4193 6848.565       298.7061 6679.452       293.6849 482.0099 10.56666 476.0326 10.51949 5.977356       14.91019 
1 1 1 -4  5  31 o 305.3549 6.041371 2739.173       108.1909 2726.367       148.9215 2753.487       157.4442 304.2752 8.353168 305.7171 8.790380 -1.441833      12.12626 
1 1 1 -4  5  32 o 248.2079 6.090446 1809.983       88.65746 1751.669       118.9605 1882.837       132.9666 243.8353 8.330942 252.7151 8.985708 -8.879898      12.25347 
1 1 1 -4  5  33 o 145.4386 8.210055 624.3398       69.74439 589.5830       94.63949 665.6528       103.1799 140.8576 11.55779 149.6774 11.85072 -8.819824      16.55361 
1 1 1 -4  5  34 o 592.9869 8.836526 10352.03       307.3103 10250.33       425.6145 10462.79       444.1848 588.9722 12.32171 594.8912 12.73138 -5.919067      17.71758 
1 1 1 -4  5  35 o 107.5912 11.82825 346.0405       73.40635 331.5464       102.2486 361.4565       105.4499 104.1592 17.34810 108.9249 17.06715 -4.765739      24.33607 
1 1 1 -4  5  36 o 258.2121 6.835177 1962.053       103.4177 1811.645       138.6907 2150.421       155.2086 247.6854 9.565633 269.8330 9.824165 -22.14767      13.71188 
1 1 1 -4  5  37 o 311.1310 7.967083 2853.132       145.2565 2754.823       174.6178 3073.989       261.7259 305.3293 9.764010 321.3012 13.92245 -15.97186      17.00502 
1 1 1 -4  5  38 o 179.7422 10.24502 958.2687       107.5501 838.3627       182.6117 1021.949       133.0793 165.6949 19.14347 185.1766 12.32403 -19.48169      22.76739 
1 1 1 -4  5  39 o 107.0695 13.49542 346.5938       82.86414 317.3276       117.3776 375.6713       116.9985 100.5014 20.60659 110.1076 18.79199 -9.606178      27.88853 
1 1 1 -4  5  40 o 189.9606 9.236390 1069.596       102.5918 927.7396       141.1587 1228.420       149.3621 175.6975 13.81001 202.6959 12.62720 -26.99837      18.71263 
1 1 1 -4  5  41 o 208.6875 8.438600 1289.930       103.0673 1248.102       146.3729 1331.065       145.1531 204.1341 12.28311 211.0081 11.77614 -6.874039      17.01623 
1 1 1 -4  5  42 o 113.6739 12.93144 392.9260       84.67937 350.9941       123.8533 429.7328       116.0378 104.4676 20.94489 117.3545 17.38472 -12.88696      27.21979 
1 1 1 -4  5  43 o 56.30843 20.03145 89.86746       83.18684 -40.01489      122.7233 200.2714       113.1472 47.11974 21.19609 78.02961 23.09691 -30.90987      31.34871 
1 1 1 -4  5  44 o 108.6589 13.29815 363.1440       82.97951 337.4189       119.0401 387.4589       115.7313 101.5141 20.69736 109.9959 18.60262 -8.481796      27.82873 
1 1 1 -4  5  45 o 46.52835 19.08597 33.04167       83.24133 71.49273       124.8273 2.249996       111.7048 58.42220 23.59154 48.41527 21.06246 10.00693       31.62575 
1 1 1 -4  5  46 o 62.20565 20.29502 124.6126       85.06744 173.6254       116.2774 68.17049       124.7791 71.96236 23.74149 57.52286 23.45480 14.43950       33.37343 
1 1 1 -4  5  47 o 36.13350 17.01280 -83.19814      92.94954 -54.70881      129.9880 -113.0067      132.9635 46.26167 21.20016 42.80602 20.21341 3.455647       29.29213 
1 1 1 -4  5  48 o 146.6405 12.77142 665.9272       108.7411 654.0072       155.3366 677.3820       152.2755 140.7216 19.33227 143.9256 18.46506 -3.204025      26.73378 
1 1 1 -4  5  49 o 114.5673 16.64498 425.8491       108.5696 440.2337       159.3886 413.3975       148.2923 110.0360 25.23689 107.4458 24.12531 2.590141       34.91319 
1 1 1 -4  5  50 o 74.15632 25.96556 199.6124       139.3434 234.4648       161.3236 97.21488       276.5196 78.83123 27.91020 71.39464 31.98995 7.436592       42.45393 
1 1 1 -4  5  51 o 89.48268 23.91960 293.7498       127.9413 328.0275       184.2352 261.8219       177.8086 89.77898 29.89388 81.56494 29.25570 8.214035       41.82751 
1 1 1 -4  6  1  o 592.8364 14.33498 10332.13       498.4049 10408.86       708.3730 10256.92       701.3810 593.9255 20.36679 589.5791 20.31471 4.346436       28.76619 
1 1 1 -4  6  2  o 595.4910 20.46420 10465.31       713.6324 0.000000       0.000000 10465.31       713.6324 ?        ?        595.4910 20.46420 0.000000       20.46420 
1 1 1 -4  6  3  o 341.4107 7.900459 3420.787       158.1904 3444.602       267.9615 3408.048       195.9865 342.0789 13.38241 340.5582 9.822866 1.520691       16.60053 
1 1 1 -4  6  4  o 379.3857 7.379256 4223.822       164.1890 4202.107       232.3333 4245.485       232.0636 378.1212 10.48695 380.0748 10.42071 -1.953583      14.78403 
1 1 1 -4  6  5  o 136.0924 7.569765 545.2457       60.18003 412.6711       125.3171 584.9832       68.60883 116.8553 18.93296 140.9234 8.338580 -24.06805      20.68789 
1 1 1 -4  6  6  o 297.5998 5.852420 2598.530       102.1454 2487.675       237.2626 2623.751       113.1701 290.4708 13.96854 299.0226 6.453228 -8.551788      15.38715 
1 1 1 -4  6  7  o 560.9625 8.911219 9241.047       293.1713 9074.145       637.3322 9285.841       330.1775 553.9772 19.64770 562.2128 10.01374 -8.235535      22.05237 
1 1 1 -4  6  8  o 773.0810 11.70491 17576.47       530.6934 17519.04       1166.581 17591.46       595.9261 767.0467 25.96984 773.1182 13.14305 -6.071472      29.10622 
1 1 1 -4  6  9  o 480.8227 7.814705 6788.736       220.3678 6856.090       496.0149 6772.172       245.9765 481.5408 17.59307 480.1534 8.735003 1.387421       19.64221 
1 1 1 -4  6  10 o 647.1273 10.06105 12307.92       381.8418 12283.28       834.3085 12314.45       429.4605 643.3158 22.14624 647.1047 11.31614 -3.788879      24.86988 
1 1 1 -4  6  11 o 46.42944 11.14927 65.92291       29.97581 -52.07856      89.78276 80.72664       31.80055 39.55791 17.93006 51.44005 10.88128 -11.88214      20.97354 
1 1 1 -4  6  12 o 159.8453 5.142395 750.3610       48.14491 727.1082       120.8443 754.7482       52.49062 156.6688 13.27694 160.2906 5.592279 -3.621811      14.40662 
1 1 1 -4  6  13 o 675.0222 10.29913 13381.75       407.7265 13058.50       888.2595 13468.04       458.9306 664.4763 22.82734 677.0624 11.55760 -12.58618      25.58643 
1 1 1 -4  6  14 o 1006.632 16.88513 29813.93       996.8408 28785.26       1881.088 30215.60       1175.460 984.0947 32.63796 1012.757 19.79030 -28.66217      38.16926 
1 1 1 -4  6  15 o 665.4470 10.18746 12999.11       397.5851 12932.95       878.2502 13016.17       445.8920 661.9703 22.65529 665.7917 11.41933 -3.821411      25.37053 
1 1 1 -4  6  16 o 731.4882 11.19753 15709.92       480.3747 15261.41       1026.649 15835.64       543.5464 718.8992 24.38555 734.2861 12.62179 -15.38690      27.45841 
1 1 1 -4  6  17 o 401.6214 7.083537 4732.325       166.8466 4245.460       342.2758 4884.072       191.0872 379.7325 15.40104 407.9817 7.986205 -28.24918      17.34853 
1 1 1 -4  6  18 o 404.3400 7.201523 4796.825       170.7739 4628.556       371.9812 4841.761       192.2289 396.4306 16.03246 406.2008 8.069143 -9.770264      17.94856 
1 1 1 -4  6  19 o 616.0086 9.846893 11139.59       355.7431 10591.40       745.1396 11301.42       404.8626 599.0944 21.24123 620.3732 11.12767 -21.27875      23.97947 
1 1 1 -4  6  20 o 527.5083 8.726694 8167.392       269.9787 7749.284       569.0571 8288.838       306.6921 512.5962 18.96178 531.3485 9.841758 -18.75232      21.36374 
1 1 1 -4  6  21 o 650.8202 10.09600 12437.59       385.3548 12291.37       843.7481 12476.13       433.1720 644.8901 22.34257 651.7119 11.33324 -6.821777      25.05260 
1 1 1 -4  6  22 o 419.8761 7.381911 5173.951       181.7776 4902.086       384.0660 5252.433       206.3539 407.7501 16.09218 423.0013 8.318028 -15.25128      18.11485 
1 1 1 -4  6  23 o 313.3083 6.025508 2880.374       110.7174 2795.335       149.2383 2984.475       165.1197 308.4499 8.257259 318.6772 8.843362 -10.22729      12.09907 
1 1 1 -4  6  24 f 530.7375 11.14885 8281.728       347.0247 8281.728       347.0247 0.000000       0.000000 530.7375 11.14885 ?        ?        0.000000       11.14885 
1 1 1 -4  6  25 f 157.4884 6.459943 729.2776       59.53946 738.4030       80.74603 718.4041       88.14232 158.2968 8.731401 156.0431 9.679047 2.253708       13.03539 
1 1 1 -4  6  26 o 308.5852 5.940387 2795.226       107.5079 2732.155       148.2322 2865.220       156.1552 304.8227 8.299448 312.1381 8.538216 -7.315460      11.90722 
1 1 1 -4  6  27 o 184.6706 6.062689 1002.360       65.57292 958.7393       89.01028 1054.129       96.96816 180.4037 8.436235 189.1512 8.764997 -8.747559      12.16533 
1 1 1 -4  6  28 o 181.7012 6.250688 970.7286       66.51028 916.8692       89.37547 1037.572       99.56726 176.3597 8.667639 187.5905 9.077079 -11.23076      12.55075 
1 1 1 -4  6  29 o 190.0762 6.148320 1062.258       68.44837 1106.228       94.68594 1014.129       99.06361 193.7607 8.351998 185.4134 9.138242 8.347290       12.37996 
1 1 1 -4  6  30 o 169.8521 9.547626 852.2986       94.72506 0.000000       0.000000 852.2986       94.72506 ?        ?        169.8521 9.547626 0.000000       9.547626 
1 1 1 -4  6  31 o 223.7623 6.152891 1472.144       80.66856 1451.053       111.1416 1495.626       117.2701 221.8763 8.557170 225.2169 8.895919 -3.340607      12.34352 
1 1 1 -4  6  32 f 123.1098 8.542330 448.2063       61.29393 427.3024       84.41776 471.5145       89.14034 119.6549 12.20015 125.7451 12.24220 -6.090179      17.28337 
1 1 1 -4  6  33 o 144.9242 8.614757 620.3472       72.89040 596.8412       97.05343 650.7603       110.3959 141.6918 11.78588 147.8115 12.86283 -6.119644      17.44589 
1 1 1 -4  6  34 o 245.4179 6.957676 1771.963       100.0420 1750.256       134.8070 1798.573       149.2552 243.5715 9.454988 246.7716 10.33586 -3.200058      14.00809 
1 1 1 -4  6  35 o 501.7661 7.985164 7408.843       234.9826 7154.501       317.4398 7717.154       349.4998 492.3047 10.99453 511.0852 11.66012 -18.78046      16.02618 
1 1 1 -4  6  36 o 152.7413 9.061488 689.9960       80.80724 754.5949       108.7904 610.4907       120.6913 159.3155 11.72562 142.6219 14.63655 16.69357       18.75417 
1 1 1 -4  6  37 o 54.80234 19.27201 80.53220       76.81724 255.0154       108.5282 -94.64610      108.7441 90.11642 20.93552 40.48831 18.84690 49.62812       28.16916 
1 1 1 -4  6  38 o 248.2409 7.345552 1816.481       106.8244 1905.196       146.9445 1717.045       155.5691 253.7042 9.894841 240.5491 11.05687 13.15509       14.83787 
1 1 1 -4  6  39 o 80.42900 17.67582 202.1154       81.09689 280.4116       114.5858 123.5382       114.7912 94.18176 21.25168 66.78470 23.55258 27.39706       31.72314 
1 1 1 -4  6  40 o 241.7652 7.881545 1726.683       111.6027 1766.341       155.8416 1684.934       159.8967 243.7072 10.93128 237.8367 11.49737 5.870560       15.86451 
1 1 1 -4  6  41 o 30.09744 14.62102 -135.6805      81.39448 -75.11812      115.5722 -195.2820      114.6516 43.20196 19.86868 35.29607 17.19308 7.905888       26.27483 
1 1 1 -4  6  42 o 134.0998 11.10599 540.7893       86.56197 439.9430       121.4940 644.7598       123.3616 118.4016 18.06769 145.2231 14.68578 -26.82145      23.28333 
1 1 1 -4  6  43 f 137.1715 10.91703 566.9738       87.10110 572.0941       122.6203 561.7590       123.7465 135.9111 15.67010 134.5155 15.99903 1.395645       22.39466 
1 1 1 -4  6  44 o 85.86613 17.34757 236.3340       84.34940 280.3074       125.5676 200.1748       113.8653 91.17281 23.37536 77.52118 23.22490 13.65163       32.95153 
1 1 1 -4  6  45 o 91.53577 16.96286 268.5309       87.71015 196.1958       125.7726 337.0150       122.3788 76.35653 24.65978 100.5684 21.40634 -24.21189      32.65481 
1 1 1 -4  6  46 o 173.3082 10.02054 906.2325       101.4156 888.5182       143.3810 923.9677       143.4656 168.9711 14.61212 172.5316 14.30698 -3.560455      20.45003 
1 1 1 -4  6  47 o 154.6878 11.48091 730.9908       103.4132 710.9082       150.2242 749.0796       142.5722 148.6708 17.56812 153.7451 16.04787 -5.074326      23.79439 
1 1 1 -4  6  48 o 184.3568 10.34782 1032.260       111.4325 925.8652       159.2710 1134.276       155.9599 170.4439 16.12498 190.5622 14.05374 -20.11830      21.38978 
1 1 1 -4  6  49 o 89.10017 21.44287 276.5795       110.6887 412.9041       166.5983 168.8423       148.1037 104.9066 26.93984 70.58632 26.46717 34.32027       37.76593 
1 1 1 -4  6  50 o 64.43568 23.41108 138.2162       114.3116 184.8695       176.5703 104.5536       149.9857 72.88995 28.49773 62.58596 25.64013 10.30399       38.33454 
1 1 1 -4  6  51 o 49.17953 22.73851 -55.77117      154.2768 -0.8632324     178.0421 -221.2488      309.0827 56.14932 25.36927 59.38790 28.76561 -3.238579      38.35440 
1 1 1 -4  7  1  o 528.4628 13.02035 8208.658       403.5410 8261.799       573.1306 8156.412       568.2866 529.2197 18.49418 525.8358 18.45613 3.383850       26.12783 
1 1 1 -4  7  2  o 400.3527 10.52599 4710.729       246.9331 4800.455       353.0744 4624.821       345.4816 403.6911 14.93882 396.2327 14.89354 7.458405       21.09469 
1 1 1 -4  7  3  f 548.3905 11.50332 8835.891       369.9675 0.000000       0.000000 8835.891       369.9675 ?        ?        548.3905 11.50332 0.000000       11.50332 
1 1 1 -4  7  4  o 524.8441 9.495236 8089.039       292.2716 0.000000       0.000000 8089.039       292.2716 ?        ?        524.8441 9.495236 0.000000       9.495236 
1 1 1 -4  7  5  o 362.4844 6.498513 3855.781       138.1509 3662.909       311.3079 3903.079       154.1626 352.4250 15.09664 364.6707 7.208215 -12.24567      16.72922 
1 1 1 -4  7  6  o 192.4027 5.288119 1086.928       59.61435 832.1212       151.9107 1133.311       64.81358 167.3448 15.66028 196.4516 5.631294 -29.10678      16.64199 
1 1 1 -4  7  7  o 264.4700 5.620151 2052.417       87.17156 2092.290       213.8612 2044.472       95.46175 266.2310 13.74344 263.9395 6.167007 2.291443       15.06367 
1 1 1 -4  7  8  o 92.47655 6.338020 252.1767       34.16662 338.2227       120.5700 244.6638       35.62701 105.1755 20.28182 91.04979 6.719246 14.12575       21.36587 
1 1 1 -4  7  9  o 53.30141 9.735761 86.09553       29.31290 58.98933       105.0911 88.38233       30.52436 56.60284 22.02680 53.98236 10.00998 2.620480       24.19462 
1 1 1 -4  7  10 o 650.0629 9.983685 12417.97       380.6245 11850.78       817.7435 12574.84       430.0500 632.0710 22.09373 653.9752 11.21262 -21.90417      24.77611 
1 1 1 -4  7  11 o 362.9217 6.472311 3865.320       137.7599 3793.089       310.0001 3883.094       153.7782 358.6263 14.77065 363.7211 7.209014 -5.094818      16.43600 
1 1 1 -4  7  12 o 736.1733 11.16725 15922.47       482.1440 15854.00       1061.548 15940.27       541.1845 731.4467 24.78187 736.4025 12.53082 -4.955750      27.76982 
1 1 1 -4  7  13 o 693.8964 10.64714 14139.40       433.2894 13621.77       926.1630 14284.44       490.2479 678.8497 23.29739 697.3127 11.98775 -18.46301      26.20066 
1 1 1 -4  7  14 o 183.6692 5.460373 990.4122       58.75254 745.2159       140.2252 1042.622       64.70601 158.4876 15.27522 188.4356 5.862189 -29.94797      16.36147 
1 1 1 -4  7  15 o 215.8568 5.614782 1367.671       71.01994 1355.839       166.8984 1370.288       78.47981 214.4253 13.33771 216.0399 6.200447 -1.614578      14.70850 
1 1 1 -4  7  16 o 708.1127 10.90285 14721.05       452.7858 13719.20       939.7849 15023.92       516.7120 681.7198 23.54096 715.2430 12.31812 -33.52319      26.56902 
1 1 1 -4  7  17 o 335.8369 6.474104 3308.764       127.5142 3506.988       298.1802 3264.400       141.0636 345.1224 14.76590 333.5605 7.210906 11.56198       16.43256 
1 1 1 -4  7  18 o 461.4898 8.775020 6250.433       237.4984 6939.137       508.1834 6057.975       268.6410 485.2813 17.88629 454.2682 10.08346 31.01306       20.53279 
1 1 1 -4  7  19 o 247.2372 6.746051 1794.737       97.72549 1701.264       222.8782 1816.984       108.7354 239.9889 15.92537 248.7309 7.462465 -8.741928      17.58709 
1 1 1 -4  7  20 o 272.8214 6.757693 2183.879       108.1253 2146.491       236.3260 2193.777       121.5990 269.7572 14.99687 273.3130 7.593467 -3.555847      16.80973 
1 1 1 -4  7  21 o 368.9360 7.057232 3994.144       152.6989 3703.794       321.4915 4078.727       173.5211 354.4687 15.50218 372.7878 7.936704 -18.31918      17.41576 
1 1 1 -4  7  22 f 666.8620 10.33971 13062.96       404.3847 12539.06       863.2583 13210.24       457.7101 650.8417 22.65048 670.4564 11.64044 -19.61462      25.46653 
1 1 1 -4  7  23 o 251.8670 6.293169 1861.623       92.95895 1883.766       204.9115 1855.885       104.3102 252.6142 13.88454 251.3537 7.083114 1.260498       15.58688 
1 1 1 -4  7  24 o 180.2823 6.046154 954.9208       63.83634 929.8251       85.23680 986.9770       96.33495 177.7486 8.198638 183.0757 8.999859 -5.327118      12.17436 
1 1 1 -4  7  25 o 353.8406 6.147949 3675.054       127.5817 3655.877       176.2312 3696.174       184.9392 352.7565 8.518386 354.5536 8.901027 -1.797119      12.32036 
1 1 1 -4  7  26 o 141.9335 6.834659 592.9402       56.72495 588.2485       78.86743 597.9686       81.64716 141.1144 9.586543 142.2523 9.847367 -1.137894      13.74309 
1 1 1 -4  7  27 o 355.6781 6.247993 3714.787       130.3311 3677.276       179.4815 3756.630       189.5636 353.6541 8.653473 357.2913 9.053824 -3.637268      12.52415 
1 1 1 -4  7  28 o 360.8753 6.392078 3825.057       135.2850 3756.247       186.2224 3901.956       196.8648 357.3453 8.885734 364.0501 9.227979 -6.704834      12.81061 
1 1 1 -4  7  29 o 241.3959 5.992452 1711.477       84.83694 1712.236       117.6228 1710.654       122.4797 241.1285 8.329999 240.9731 8.680709 0.1554260      12.03094 
1 1 1 -4  7  30 f 325.3619 6.162566 3109.941       117.5923 3090.546       162.0591 3131.508       170.8935 323.9613 8.537061 326.0357 8.945828 -2.074341      12.36565 
1 1 1 -4  7  31 f 147.9288 7.458833 645.1217       64.50157 628.6027       87.90225 664.3925       94.94196 145.6548 10.35780 149.6848 10.88957 -4.029999      15.02886 
1 1 1 -4  7  32 o 259.2594 6.281845 1974.972       95.51514 1871.158       129.2443 2099.904       141.7822 251.9649 8.759553 266.8917 9.071265 -14.92680      12.61022 
1 1 1 -4  7  33 o 120.2526 10.34645 429.4220       72.25989 389.7328       102.8670 468.0847       101.5280 113.5107 15.88657 124.9519 14.10054 -11.44118      21.24167 
1 1 1 -4  7  34 o 176.6919 8.197198 920.6320       84.71249 887.4325       116.8236 957.4464       123.0195 172.9838 11.58202 179.6802 11.73837 -6.696381      16.49037 
1 1 1 -4  7  35 o 273.1120 9.902338 2202.279       158.3469 0.000000       0.000000 2202.279       158.3469 ?        ?        273.1120 9.902338 0.000000       9.902338 
1 1 1 -4  7  36 o 143.7447 9.723057 612.2920       81.48582 693.8427       112.2840 521.5557       118.4389 152.5348 12.66573 131.4540 15.67101 21.08084       20.14948 
1 1 1 -4  7  37 o 336.9705 7.030342 3341.940       138.9373 3296.811       190.1043 3393.683       203.5591 333.9933 9.715508 338.7176 10.25895 -4.724304      14.12930 
1 1 1 -4  7  38 o 192.5719 8.101108 1095.226       91.28862 1124.380       124.6623 1061.515       134.0516 194.5523 10.97012 188.7344 12.17570 5.817947       16.38875 
1 1 1 -4  7  39 o 122.7047 11.68888 450.8510       83.10212 481.2938       116.7338 419.5694       118.3308 125.6651 16.21682 116.7257 17.85188 8.939484       24.11794 
1 1 1 -4  7  40 o 214.2343 8.406099 1357.948       105.4120 1445.597       148.3702 1268.612       149.7903 220.1996 11.52909 205.9539 12.45946 14.24570       16.97522 
1 1 1 -4  7  41 o 33.26619 15.65026 -79.47732      78.37835 -119.9146      110.3741 -38.34449      111.3194 38.65839 18.30307 45.32938 20.30504 -6.670990      27.33673 
1 1 1 -4  7  42 o 130.5064 11.28912 513.1973       85.55689 486.6753       119.8691 540.7405       122.1548 125.0831 16.76175 132.2323 16.08180 -7.149216      23.22887 
1 1 1 -4  7  43 o 104.9388 13.90372 339.5941       83.46574 376.2745       117.3909 302.0931       118.6966 108.3383 19.17743 95.78497 21.64144 12.55329       28.91583 
1 1 1 -4  7  44 o 69.08073 19.89012 155.5657       84.93597 231.6319       120.6423 80.80841       119.5998 82.87273 23.65586 59.18874 23.35929 23.68399       33.24538 
1 1 1 -4  7  45 o 115.4197 13.82978 412.9951       91.75330 225.0835       129.7756 600.8090       129.7419 80.94041 24.90820 138.1315 16.33082 -57.19106      29.78446 
1 1 1 -4  7  46 o 192.9013 9.374773 1118.520       105.7411 1006.399       150.2486 1228.551       148.8424 180.0233 14.34955 200.1485 12.74637 -20.12520      19.19321 
1 1 1 -4  7  47 o 94.73635 18.03806 294.4557       96.56115 286.9063       133.2389 302.8071       140.1384 89.84025 24.58010 91.92774 25.23153 -2.087494      35.22515 
1 1 1 -4  7  48 o 73.46492 22.45954 187.8578       105.7323 340.4656       152.4816 46.52714       146.7396 96.05177 26.30156 57.15549 24.49710 38.89628       35.94273 
1 1 1 -4  7  49 o 94.85809 20.61229 309.2654       111.3865 371.2753       171.3661 263.9009       146.5725 98.09786 28.25460 83.98063 26.56835 14.11723       38.78402 
1 1 1 -4  7  50 o 60.87978 23.35979 113.3232       116.9809 479.5518       182.0416 -144.2850      152.6773 111.4812 27.90966 43.78841 20.95347 67.69281       34.89981 
1 1 1 -4  7  51 o 41.33774 19.37645 -79.29082      118.2524 -69.19846      177.5938 -87.32958      158.4987 51.63213 24.05136 47.79190 22.41165 3.840229       32.87476 
1 1 1 -4  8  1  o 444.4892 9.598756 5802.301       250.2227 0.000000       0.000000 5802.301       250.2227 ?        ?        444.4892 9.598756 0.000000       9.598756 
1 1 1 -4  8  2  o 471.1360 10.03434 6520.018       277.2590 0.000000       0.000000 6520.018       277.2590 ?        ?        471.1360 10.03434 0.000000       10.03434 
1 1 1 -4  8  3  o 85.48586 6.466223 215.6749       32.17829 0.000000       0.000000 215.6749       32.17829 ?        ?        85.48586 6.466223 0.000000       6.466223 
1 1 1 -4  8  4  o 67.41235 7.670207 135.1269       29.78607 0.000000       0.000000 135.1269       29.78607 ?        ?        67.41235 7.670207 0.000000       7.670207 
1 1 1 -4  8  5  o 452.6086 8.475499 6016.037       224.9773 0.000000       0.000000 6016.037       224.9773 ?        ?        452.6086 8.475499 0.000000       8.475499 
1 1 1 -4  8  6  o 459.2495 7.659833 6192.584       206.3092 5967.099       453.9877 6251.269       231.6055 449.3201 17.26021 461.3474 8.559933 -12.02725      19.26622 
1 1 1 -4  8  7  o 496.5889 8.096444 7242.086       235.7990 6626.249       498.7109 7419.399       267.6004 473.2802 17.99999 502.5346 9.079674 -29.25439      20.16036 
1 1 1 -4  8  8  o 258.9346 5.649124 1967.488       85.78705 1866.734       206.1954 1988.578       94.33960 251.3648 14.04281 260.3004 6.179719 -8.935547      15.34240 
1 1 1 -4  8  9  o 728.3946 12.57794 15610.46       537.3123 15042.24       1017.225 15830.34       632.7936 711.3107 24.42034 733.0519 14.71895 -21.74115      28.51316 
1 1 1 -4  8  10 o 78.57629 6.819346 182.5718       31.11483 194.1312       42.76747 169.5730       45.35224 80.78217 9.190290 75.23520 10.56950 5.546967       14.00627 
1 1 1 -4  8  11 o 803.8694 11.23612 18987.24       529.7273 18961.23       743.3082 19014.07       755.1267 802.5355 15.79262 803.6065 16.02234 -1.071045      22.49716 
1 1 1 -4  8  12 o 445.5016 6.824962 5823.537       178.3200 5899.981       253.6493 5748.835       250.7409 448.2781 9.647963 442.4980 9.661919 5.780090       13.65415 
1 1 1 -4  8  13 o 499.4930 7.392776 7320.611       216.5646 7320.246       305.7023 7320.980       306.8381 499.3273 10.43909 499.3501 10.47740 -0.2276611E-01 14.79022 
1 1 1 -4  8  14 o 919.4380 12.64108 24829.74       681.6432 24742.13       960.2316 24918.73       967.7911 917.0731 17.85342 920.3273 17.93035 -3.254272      25.30301 
1 1 1 -4  8  15 o 745.2519 10.42261 16303.96       455.5439 16318.88       646.2326 16289.23       642.2584 745.1878 14.78675 744.5190 14.70901 0.6688232      20.85672 
1 1 1 -4  8  16 o 323.6523 5.817933 3072.748       110.4328 3083.152       156.0481 3062.310       156.3032 324.0405 8.217873 322.9405 8.259455 1.099976       11.65127 
1 1 1 -4  8  17 o 298.9365 5.943328 2621.450       104.1979 2668.212       150.4531 2578.347       144.4466 301.4111 8.519759 296.2987 8.320653 5.112427       11.90880 
1 1 1 -4  8  18 o 418.2166 6.919417 5131.648       169.7154 5169.949       241.3951 5094.211       238.6561 419.6605 9.807984 416.5770 9.768473 3.083466       13.84267 
1 1 1 -4  8  19 o 260.1603 6.469357 1985.741       98.70805 2024.899       143.1667 1950.261       136.2765 262.4768 9.315147 257.6058 9.034159 4.871063       12.97644 
1 1 1 -4  8  20 o 498.2512 9.489901 7288.443       277.3068 7008.966       524.6362 7396.798       326.6700 487.4649 18.38414 501.8312 11.09944 -14.36630      21.47497 
1 1 1 -4  8  21 o 757.2164 11.60218 16846.95       515.2405 16313.47       1099.423 16997.09       583.2563 741.9589 25.30291 760.3795 13.07912 -18.42059      28.48334 
1 1 1 -4  8  22 o 133.9891 7.703647 528.7303       60.28117 520.8009       140.2025 530.5286       66.76773 131.5820 18.69345 134.1522 8.530485 -2.570175      20.54786 
1 1 1 -4  8  23 o 280.5858 7.689580 2313.120       126.4181 2230.074       227.5510 2350.195       152.0404 274.8515 14.16438 282.7108 9.182111 -7.859314      16.88019 
1 1 1 -4  8  24 o 530.9825 8.694562 8282.366       270.7562 8204.040       587.2904 8303.508       305.1164 526.3517 19.05653 531.5334 9.787787 -5.181641      21.42316 
1 1 1 -4  8  25 o 67.52399 12.54169 138.5564       47.83873 120.4711       65.72602 158.9313       69.76265 62.86667 17.28934 71.91355 16.83922 -9.046879      24.13464 
1 1 1 -4  8  26 o 732.1113 10.46014 15772.73       449.1228 15661.96       627.5123 15889.07       643.0850 728.2896 14.69155 733.4609 14.94999 -5.171326      20.96053 
1 1 1 -4  8  27 o 60.78282 14.01289 113.4594       48.93000 117.4797       65.30708 108.3147       73.87776 62.05836 17.29853 60.53466 18.82141 1.523701       25.56334 
1 1 1 -4  8  28 o 385.6152 6.623116 4368.281       149.7845 4261.302       204.5134 4492.059       219.9867 380.5514 9.163426 390.6535 9.601832 -10.10211      13.27266 
1 1 1 -4  8  29 o 451.3643 7.218068 5988.436       191.0727 5904.883       262.7994 6082.138       278.3017 447.7114 10.00866 454.2886 10.44560 -6.577240      14.46665 
1 1 1 -4  8  30 o 121.5330 8.638093 436.8770       61.16780 479.2645       84.23946 389.6035       88.96229 126.9315 11.43866 113.9689 13.57630 12.96255       17.75272 
1 1 1 -4  8  31 o 230.4947 9.375636 1567.441       126.4751 0.000000       0.000000 1567.441       126.4751 ?        ?        230.4947 9.375636 0.000000       9.375636 
1 1 1 -4  8  32 o 124.7296 9.853911 461.2661       71.49714 478.3519       102.4140 445.0222       99.85888 126.3335 14.06058 121.7611 14.25330 4.572388       20.02140 
1 1 1 -4  8  33 o 157.0459 8.843905 728.3445       81.12652 793.4130       119.8927 673.3897       110.1819 163.3630 12.61135 150.4237 12.60528 12.93925       17.83085 
1 1 1 -4  8  34 o 146.9698 11.27790 641.3115       96.46639 547.4260       179.2337 679.5989       114.4585 132.7942 23.89230 151.0115 13.05170 -18.21729      27.22478 
1 1 1 -4  8  35 o 67.53290 18.41260 140.8363       74.91544 111.9929       104.9928 170.7519       106.9265 64.29464 22.53702 74.77084 22.53002 -10.47620      31.86721 
1 1 1 -4  8  36 o 222.3966 7.379344 1457.175       96.11576 1301.013       127.7816 1660.657       145.8623 209.6284 10.42636 236.8782 10.52576 -27.24979      14.81555 
1 1 1 -4  8  37 o 143.8136 9.920343 613.8727       83.15874 605.2349       113.5147 623.8779       122.1701 141.9968 13.80490 143.9751 14.67350 -1.978317      20.14663 
1 1 1 -4  8  38 o 275.2064 7.157579 2232.015       115.4267 2323.898       157.7752 2126.205       169.3107 280.2631 9.613149 267.7479 10.80440 12.51520       14.46194 
1 1 1 -4  8  39 o 103.1301 16.89521 327.8199       98.65265 341.8333       167.2367 320.3411       122.1738 102.6019 27.31155 100.6515 21.35893 1.950409       34.67167 
1 1 1 -4  8  40 o 25.13661 12.60084 -225.8016      79.88726 -312.9684      115.0713 -144.7021      110.9943 30.46308 15.24950 37.34607 17.86935 -6.882996      23.49172 
1 1 1 -4  8  41 o 177.5291 8.947055 936.5850       92.85341 856.1059       127.6312 1027.075       135.3364 168.4570 13.01962 184.7681 12.56402 -16.31105      18.09323 
1 1 1 -4  8  42 o 46.22004 18.72187 33.80977       78.88668 42.28614       110.0092 24.83715       113.1837 53.34632 21.91831 51.83116 21.83554 1.515163       30.93869 
1 1 1 -4  8  43 o 94.90311 15.49611 282.2570       83.27533 140.1776       117.2090 427.0851       118.3373 67.77481 23.80782 116.0603 17.96546 -48.28547      29.82566 
1 1 1 -4  8  44 o 180.9235 9.325814 979.8752       98.61982 939.6981       136.9536 1023.147       142.1293 175.2629 13.42617 182.9667 13.33687 -7.703781      18.92443 
1 1 1 -4  8  45 o 78.94162 19.21300 205.9848       88.09835 256.3637       127.3028 159.6828       122.0433 86.09425 24.20741 70.16125 24.31694 15.93300       34.31198 
1 1 1 -4  8  46 o 245.6225 8.335384 1803.430       119.8987 1887.392       168.6485 1717.623       170.4913 249.1027 11.57557 237.0600 12.30503 12.04276       16.89401 
1 1 1 -4  8  47 o 47.87623 20.16404 28.82622       96.47778 -29.82222      138.7950 83.65675       134.2013 49.60075 22.40594 59.90060 24.36162 -10.29986      33.09856 
1 1 1 -4  8  48 o 53.05210 21.50121 61.78713       104.1135 211.3610       155.8760 -58.68840      139.8946 76.70114 27.40586 47.28841 21.78848 29.41273       35.01170 
1 1 1 -4  8  49 o 117.7196 17.13936 452.6067       114.8576 560.4741       172.7479 367.1380       153.7699 125.1527 24.41244 99.28775 26.07693 25.86494       35.72077 
1 1 1 -4  8  50 o 114.0664 18.93394 437.5408       122.2238 687.1069       190.4706 262.8401       159.3611 138.0992 24.40984 82.43741 27.80743 55.66183       37.00127 
1 1 1 -4  8  51 o 88.74165 23.71839 289.3988       125.8082 405.2564       183.2193 186.0396       173.0547 100.0351 29.33351 72.28540 28.22677 27.74972       40.70879 
1 1 1 -4  9  1  o 506.6058 12.95582 7556.469       384.6175 0.000000       0.000000 7556.469       384.6175 ?        ?        506.6058 12.95582 0.000000       12.95582 
1 1 1 -4  9  2  o 285.0082 7.095790 2384.472       118.6066 0.000000       0.000000 2384.472       118.6066 ?        ?        285.0082 7.095790 0.000000       7.095790 
1 1 1 -4  9  3  o 677.5873 13.68122 13517.04       543.6767 0.000000       0.000000 13517.04       543.6767 ?        ?        677.5873 13.68122 0.000000       13.68122 
1 1 1 -4  9  4  o 439.4893 9.518849 5675.139       245.3484 0.000000       0.000000 5675.139       245.3484 ?        ?        439.4893 9.518849 0.000000       9.518849 
1 1 1 -4  9  5  o 229.2392 7.057930 1544.175       94.77615 0.000000       0.000000 1544.175       94.77615 ?        ?        229.2392 7.057930 0.000000       7.057930 
1 1 1 -4  9  6  o 278.3071 5.691821 2272.951       92.90221 2378.071       144.7713 2199.356       121.1334 284.3982 8.689901 273.5835 7.556830 10.81470       11.51608 
1 1 1 -4  9  7  o 297.4881 5.540181 2596.897       96.65940 2558.503       135.3165 2636.900       138.1207 295.0777 7.826137 299.5642 7.868545 -4.486542      11.09786 
1 1 1 -4  9  8  o 333.4074 5.800074 3261.923       113.4121 3276.060       161.3423 3248.115       159.4522 334.0109 8.236396 332.5867 8.174760 1.424164       11.60452 
1 1 1 -4  9  9  o 389.9107 6.381926 4461.500       145.9377 4402.944       203.6410 4523.326       209.2473 387.2001 8.967661 392.4495 9.091290 -5.249420      12.76991 
1 1 1 -4  9  10 o 453.0787 6.960435 6024.236       184.9527 5987.593       259.9084 6061.827       263.2487 451.5272 9.814901 454.3129 9.880082 -2.785706      13.92653 
1 1 1 -4  9  11 o 584.7302 8.464278 10035.75       290.2658 10334.16       421.1682 9765.771       400.5996 593.0613 12.10892 576.5456 11.84749 16.51575       16.94075 
1 1 1 -4  9  12 o 783.4019 10.85080 18021.07       498.5366 18444.82       722.7126 17636.38       688.5983 791.9907 15.55948 774.4943 15.15993 17.49634       21.72374 
1 1 1 -4  9  13 o 538.4583 7.826793 8507.472       247.1647 8761.423       362.0725 8285.861       338.2315 546.2476 11.30200 531.2431 10.85601 15.00452       15.67126 
1 1 1 -4  9  14 o 490.1343 7.345394 7048.281       211.1450 6915.915       295.5295 7186.302       301.7767 485.3807 10.38169 494.7771 10.39981 -9.396423      14.69475 
1 1 1 -4  9  15 f 466.5916 7.132235 6387.282       195.1700 6226.273       270.7025 6561.573       281.6469 460.5587 10.02205 472.7908 10.15747 -12.23206      14.26940 
1 1 1 -4  9  16 o 398.2947 6.524592 4653.962       152.4082 4736.359       220.0276 4577.964       211.3121 401.7114 9.339261 394.9454 9.122981 6.766022       13.05567 
1 1 1 -4  9  17 o 1092.750 14.95895 35101.84       958.6776 35393.99       1374.636 34825.20       1337.669 1095.884 21.38812 1087.146 20.98025 8.738403       29.96035 
1 1 1 -4  9  18 o 400.5721 6.929886 4707.887       162.8011 4865.445       236.3665 4565.678       224.5582 407.1010 9.899956 394.3692 9.709023 12.73178       13.86630 
1 1 1 -4  9  19 o 764.6401 10.70666 17169.81       480.1330 17706.03       706.2101 16708.92       654.7297 775.8685 15.52013 753.8081 14.80985 22.06042       21.45241 
1 1 1 -4  9  20 o 1098.469 15.06646 35494.53       970.6211 35326.55       1370.600 35663.53       1374.740 1094.135 21.35942 1099.353 21.32225 -5.218140      30.18051 
1 1 1 -4  9  21 o 641.4733 9.180289 12082.58       345.3707 12059.59       489.3257 12105.39       487.5350 640.4283 13.02798 641.6528 12.95553 -1.224487      18.37319 
1 1 1 -4  9  22 o 514.8232 9.621254 7785.577       290.4961 7780.279       567.4432 7787.458       338.1707 513.0386 18.89140 514.7266 11.20234 -1.688049      21.96309 
1 1 1 -4  9  23 o 292.1347 5.832164 2504.425       99.92253 2478.202       137.1404 2534.100       145.8886 290.3923 8.060280 293.6176 8.480939 -3.225311      11.70019 
1 1 1 -4  9  24 o 181.5609 7.622370 969.7565       80.98334 1015.131       161.9532 954.6284       93.51409 184.9284 15.06295 180.0322 8.884233 4.896225       17.48776 
1 1 1 -4  9  25 o 561.1790 10.23551 9263.266       336.8694 8927.642       634.9822 9394.726       397.4046 548.2689 19.78016 564.8215 11.99696 -16.55267      23.13399 
1 1 1 -4  9  26 o 340.4650 6.156932 3403.515       122.9383 3379.665       168.1203 3430.927       180.2332 339.0758 8.454206 341.4637 9.007808 -2.387909      12.35371 
1 1 1 -4  9  27 o 46.57602 15.45163 60.93103       49.23212 101.3928       65.48723 8.339511       74.66065 58.26553 17.64810 42.40079 17.79073 15.86474       25.05924 
1 1 1 -4  9  28 o 156.7316 7.142497 723.3892       65.48083 727.1448       88.61774 718.8726       97.18134 156.8628 9.679897 155.8312 10.69846 1.031662       14.42766 
1 1 1 -4  9  29 o 502.3254 7.811914 7420.720       230.1406 7320.529       318.4826 7530.209       332.9340 498.2427 10.89919 505.2390 11.23597 -6.996338      15.65374 
1 1 1 -4  9  30 o 126.6634 8.692550 474.4412       64.18119 447.0271       91.83132 500.6190       89.73673 122.2789 13.00451 129.6609 11.93458 -7.381996      17.65082 
1 1 1 -4  9  31 o 23.21236 11.49923 -137.3729      58.71552 -186.7017      86.51717 -95.25459      79.94434 28.90114 14.25088 32.78822 15.53946 -3.887083      21.08465 
1 1 1 -4  9  32 o 250.1349 7.360854 1841.319       107.8649 1520.653       157.1238 2127.144       148.3427 226.6137 11.86372 268.5656 9.432791 -41.95192      15.15669 
1 1 1 -4  9  33 o 378.2087 7.069023 4205.176       156.7983 4266.067       220.7805 4143.208       222.7250 380.3465 9.906051 374.7750 10.14255 5.571503       14.17749 
1 1 1 -4  9  34 o 283.1606 6.777514 2357.036       112.5521 2242.879       150.8348 2500.457       169.0663 275.7550 9.340174 291.0699 9.918461 -15.31491      13.62405 
1 1 1 -4  9  35 o 323.3823 6.803621 3075.206       129.0348 3038.999       173.9078 3119.552       192.4657 320.9602 9.248479 325.0009 10.10990 -4.040619      13.70199 
1 1 1 -4  9  36 o 426.2699 10.12346 5366.324       253.0836 5366.324       253.0836 0.000000       0.000000 426.2699 10.12346 ?        ?        0.000000       10.12346 
1 1 1 -4  9  37 o 302.3557 6.968655 2690.993       123.5713 2818.482       169.3038 2545.647       180.7717 308.8246 9.358488 293.1780 10.53063 15.64664       14.08814 
1 1 1 -4  9  38 o 110.9291 12.81073 370.5687       81.81369 480.3061       113.4692 251.7479       118.0720 125.7356 15.73082 89.04041 22.58103 36.69524       27.52021 
1 1 1 -4  9  39 o 208.7918 9.627090 1292.572       117.5678 1297.258       187.1128 1289.515       151.1251 207.3755 15.49699 207.7767 12.45917 -0.4011688     19.88435 
1 1 1 -4  9  40 o 72.14106 19.34284 164.6580       83.50802 166.7295       118.0939 162.5862       118.1024 73.60062 23.90527 72.91045 23.92079 0.6901779      33.81813 
1 1 1 -4  9  41 o 34.13526 15.98396 -74.31783      80.12115 -111.0934      111.8202 -35.51724      114.8577 39.49831 18.61644 46.22244 20.67099 -6.724133      27.81837 
1 1 1 -4  9  42 o 182.7068 9.570740 996.9903       102.1959 994.4692       128.7402 1001.286       168.0415 181.4680 12.16691 180.1817 16.07062 1.286285       20.15685 
1 1 1 -4  9  43 o 93.63868 15.71662 275.7433       83.25578 375.3871       119.1402 180.6453       116.3908 107.8413 19.55747 74.27258 23.69654 33.56872       30.72492 
1 1 1 -4  9  44 f 134.9140 11.66113 553.1808       91.36256 479.3170       128.0710 629.7228       130.3721 122.3730 18.41512 141.9445 15.93575 -19.57146      24.35292 
1 1 1 -4  9  45 o 201.8330 8.957952 1220.592       105.7714 1266.783       150.5260 1175.540       148.6581 203.4776 12.67672 195.7626 13.02220 7.714951       18.17352 
1 1 1 -4  9  46 o 108.4951 15.14816 372.0699       93.76343 427.5392       131.8174 315.2607       133.3998 113.2147 20.61181 94.89853 23.96669 18.31619       31.61090 
1 1 1 -4  9  47 o 151.8147 12.25322 709.8014       108.1712 620.8903       159.0898 786.2496       147.5191 136.2959 20.54000 157.0809 16.24731 -20.78500      26.18906 
1 1 1 -4  9  48 o 56.25409 21.95744 85.09139       104.6829 36.14375       160.9621 120.9699       137.8081 57.76987 25.20535 64.09776 25.14190 -6.327896      35.60091 
1 1 1 -4  9  49 o 182.5849 11.46996 1024.728       122.2018 981.4828       182.2071 1060.083       164.7476 172.7854 18.25649 182.2781 15.55975 -9.492706      23.98760 
1 1 1 -4  9  50 o 77.23715 23.84501 217.7429       118.8186 66.39905       180.5369 333.3894       157.8156 61.59871 26.78743 92.79658 27.22768 -31.19787      38.19572 
1 1 1 -4  9  51 o 36.81273 17.86901 -162.0441      120.9338 -121.2518      180.5227 -195.2551      162.8863 48.97668 23.25225 42.75970 20.75159 6.216972       31.16562 
1 1 1 -4  10 1  o 273.8133 6.928973 2202.308       111.1796 0.000000       0.000000 2202.308       111.1796 ?        ?        273.8133 6.928973 0.000000       6.928973 
1 1 1 -4  10 2  o 717.4631 14.14550 15163.57       595.2073 0.000000       0.000000 15163.57       595.2073 ?        ?        717.4631 14.14550 0.000000       14.14550 
1 1 1 -4  10 3  o 254.2919 5.722167 1897.630       85.33823 1944.021       121.6296 1852.651       119.7649 257.1598 8.074662 251.0321 8.145641 6.127731       11.46960 
1 1 1 -4  10 4  o 249.5684 5.727808 1827.768       83.83560 1789.575       115.4093 1870.439       121.9868 246.7323 7.986139 252.2296 8.257563 -5.497299      11.48763 
1 1 1 -4  10 5  o 172.7930 5.140087 876.8186       52.03122 873.9002       74.88940 879.5419       72.34314 172.3673 7.425656 172.9432 7.147932 -0.5758667     10.30695 
1 1 1 -4  10 6  o 369.5384 6.636935 4008.174       143.8393 4184.020       231.5732 3897.712       183.5388 377.1494 10.47962 364.2955 8.590600 12.85388       13.55068 
1 1 1 -4  10 7  o 433.6973 7.350792 5521.458       186.9697 5849.273       311.6046 5337.041       233.7171 445.8430 11.92784 426.2537 9.349142 19.58929       15.15519 
1 1 1 -4  10 8  o 591.5911 8.647192 10276.28       300.0180 10292.57       427.3885 10260.45       421.2569 591.6594 12.31688 590.7556 12.15874 0.9038086      17.30724 
1 1 1 -4  10 9  o 374.8225 6.177083 4122.167       135.7874 4143.279       193.0008 4101.472       191.0785 375.6703 8.759953 373.7722 8.716745 1.898010       12.35793 
1 1 1 -4  10 10 o 437.6314 6.748196 5619.508       173.1995 5674.641       245.4412 5564.822       244.4441 439.6424 9.519134 435.3645 9.573617 4.277863       13.50067 
1 1 1 -4  10 11 f 733.3436 10.14396 15788.85       436.2802 15746.07       615.7501 15831.98       618.2442 731.9161 14.34474 733.9077 14.36376 -1.991638      20.29998 
1 1 1 -4  10 12 o 301.6269 5.616160 2668.722       99.34821 2652.266       139.2290 2685.793       141.8056 300.5433 7.905868 302.4333 8.001934 -1.889984      11.24872 
1 1 1 -4  10 13 o 595.4643 8.499717 10405.04       296.8320 10354.94       417.8827 10456.06       421.7111 593.8175 11.99916 596.7063 12.05047 -2.888794      17.00569 
1 1 1 -4  10 14 o 1065.974 14.55435 33391.16       909.8925 33606.84       1298.874 33183.33       1275.022 1068.252 20.73207 1061.555 20.47975 6.697266       29.14170 
1 1 1 -4  10 15 o 209.6415 5.967354 1290.286       73.29383 1211.398       101.4072 1376.572       106.0552 202.9957 8.536938 216.4254 8.371300 -13.42966      11.95650 
1 1 1 -4  10 16 o 589.8994 8.683434 10212.48       300.4138 10272.16       429.0317 10155.06       420.7870 591.3720 12.37024 588.0048 12.20200 3.367188       17.37560 
1 1 1 -4  10 17 o 434.0152 7.292513 5527.063       185.6234 5755.362       274.2724 5334.118       252.1438 442.7406 10.56288 426.2542 10.08623 16.48639       14.60502 
1 1 1 -4  10 18 o 901.5753 12.36668 23880.36       653.8912 23968.91       935.2911 23795.70       914.5416 902.3624 17.67320 899.1599 17.34267 3.202576       24.76107 
1 1 1 -4  10 19 o 207.2854 6.804729 1262.100       82.61164 1173.633       116.2428 1352.380       117.4272 199.6784 9.957650 214.4238 9.360366 -14.74542      13.66643 
1 1 1 -4  10 20 o 92.89694 11.33428 257.2887       60.47421 213.3095       87.77388 297.0299       83.43769 83.46213 18.42545 99.41548 14.75780 -15.95335      23.60699 
1 1 1 -4  10 21 o 782.6199 10.87344 17997.65       499.0778 18318.16       720.0164 17701.27       692.3986 788.7075 15.56596 775.3836 15.22611 13.32385       21.77461 
1 1 1 -4  10 22 o 339.7508 6.230333 3387.529       124.1430 3371.079       172.5033 3405.202       178.7952 338.6880 8.691726 340.3753 8.964488 -1.687317      12.48632 
1 1 1 -4  10 23 f 428.9434 6.943451 5401.440       174.6730 5500.572       248.7220 5304.969       245.3623 432.6199 9.802958 424.8539 9.847312 7.765991       13.89487 
1 1 1 -4  10 24 o 358.2871 6.322257 3768.387       132.8476 3685.007       182.0961 3863.260       194.2413 354.1234 8.767898 362.4394 9.145402 -8.316010      12.66943 
1 1 1 -4  10 25 o 272.6772 5.886472 2182.699       94.13570 2214.679       131.2900 2148.864       135.0454 274.4079 8.167103 270.2591 8.530872 4.148804       11.81005 
1 1 1 -4  10 26 o 176.5525 5.839275 916.1700       60.37894 919.9427       66.10627 897.1840       148.2969 176.8762 6.383157 173.6333 14.70096 3.242920       16.02694 
1 1 1 -4  10 27 o 60.82422 14.31438 113.7399       50.20655 145.7093       65.43031 67.96404       78.29430 68.75916 16.44701 52.97330 19.35548 15.78586       25.39958 
1 1 1 -4  10 28 o 139.7576 7.502841 575.8441       61.27127 646.6562       86.98096 506.0974       86.32410 147.8234 10.09355 130.5067 11.39252 17.31670       15.22069 
1 1 1 -4  10 29 o 327.5965 6.345822 3153.178       121.9207 3156.585       169.1313 3149.493       175.9125 327.3586 8.817497 326.9283 9.183839 0.4302673      12.73150 
1 1 1 -4  10 30 o 518.5173 7.983048 7909.542       242.7630 7730.913       334.3949 8108.598       352.9975 511.8469 11.13959 524.0974 11.48442 -12.25055      15.99945 
1 1 1 -4  10 31 o 149.8974 11.96711 667.8123       104.3314 0.000000       0.000000 667.8123       104.3314 ?        ?        149.8974 11.96711 0.000000       11.96711 
1 1 1 -4  10 32 o 34.78295 16.32820 -86.97976      84.50758 171.4230       194.3824 -147.2020      93.83980 82.50317 30.43873 33.12533 15.99747 49.37785       34.38655 
1 1 1 -4  10 33 o 255.1046 7.028499 1914.662       105.0552 1821.159       143.2367 2023.515       154.5480 248.3939 9.852020 261.8110 10.08412 -13.41710      14.09793 
1 1 1 -4  10 34 o 315.9699 6.732185 2935.045       124.7534 2722.663       162.3408 3241.351       194.9603 303.8670 9.119803 331.3845 10.04304 -27.51749      13.56589 
1 1 1 -4  10 35 o 236.3876 7.080917 1645.222       98.05615 1590.651       129.6370 1718.190       149.9053 232.0462 9.546238 240.9753 10.63322 -8.929092      14.28972 
1 1 1 -4  10 36 o 110.9659 12.21130 369.2541       78.15776 309.0600       104.1582 446.8238       118.2395 99.94897 18.44855 121.0315 17.13633 -21.08253      25.17941 
1 1 1 -4  10 37 o 50.05318 18.96604 55.65676       76.49905 57.81931       103.3025 53.03077       113.8347 55.33414 21.74881 56.55575 22.63588 -1.221615      31.39098 
1 1 1 -4  10 38 o 168.5927 9.230737 842.2368       90.92126 857.2485       122.5218 823.8381       135.6409 169.3884 12.41963 165.5932 14.10082 3.795151       18.79044 
1 1 1 -4  10 39 o 214.4270 8.420065 1360.099       105.6818 1309.636       147.8433 1412.826       151.1240 209.4394 12.08765 217.6224 11.88588 -8.182968      16.95244 
1 1 1 -4  10 40 o 168.1823 9.893388 842.1965       97.15237 896.4695       135.4542 784.6989       139.4200 172.4333 13.50193 160.7519 14.96002 11.68138       20.15203 
1 1 1 -4  10 41 o 141.5397 10.81179 601.1902       89.06911 555.0662       124.8471 649.0004       127.1088 134.0747 16.20590 145.5621 15.10890 -11.48735      22.15649 
1 1 1 -4  10 42 o 80.06966 17.85328 205.6940       81.69879 128.8043       115.9063 281.6181       115.1762 66.09510 23.63055 92.54408 21.61403 -26.44897      32.02451 
1 1 1 -4  10 43 o 189.9544 8.926594 1077.305       99.16745 1110.155       139.8641 1044.096       140.6270 191.1953 12.54248 185.1426 13.03455 6.052673       18.08904 
1 1 1 -4  10 44 o 52.30375 20.22334 65.50329       88.15373 61.32445       127.8538 69.29013       121.7094 57.61290 23.64567 57.70897 23.29807 -0.9607315E-01 33.19515 
1 1 1 -4  10 45 o 72.98064 20.54188 178.5478       91.61842 266.8775       130.2663 92.08703       128.8809 87.37268 24.45923 60.93705 24.18546 26.43563       34.39754 
1 1 1 -4  10 46 o 45.49151 19.62194 9.809293       95.28587 -96.30785      136.4214 110.8940       133.1473 44.53389 20.85440 63.34573 24.75241 -18.81184      32.36646 
1 1 1 -4  10 47 o 66.16438 22.43575 146.2167       103.7440 238.3209       149.8886 61.51760       143.7369 80.86243 26.96471 58.38416 24.60212 22.47827       36.50150 
1 1 1 -4  10 48 o 86.57690 21.22060 260.4876       106.8979 304.6957       165.1286 228.5959       140.2522 89.10803 28.20123 78.97382 26.07531 10.13422       38.40874 
1 1 1 -4  10 49 o 71.34338 22.59602 179.7426       105.9930 218.2840       160.7702 150.1108       140.9679 76.74706 27.78086 67.44975 25.70169 9.297310       37.84644 
1 1 1 -4  10 50 o 41.78622 19.34487 -57.33716      112.1915 2.084666       167.0039 -106.2114      151.4584 55.02977 24.74257 45.60204 21.54570 9.427734       32.80872 
1 1 1 -4  11 1  o 673.3322 11.73076 13334.76       463.2400 13270.58       650.4786 13400.81       659.8629 670.7165 16.53650 673.9611 16.69431 -3.244568      23.49799 
1 1 1 -4  11 2  o 360.6997 7.062281 3819.298       149.3968 3747.280       205.8784 3899.401       217.1281 356.9655 9.843484 364.1088 10.17796 -7.143280      14.15927 
1 1 1 -4  11 3  o 214.1042 5.466645 1345.950       68.58689 1355.792       95.95457 1335.668       98.07315 214.7558 7.630641 213.1378 7.859294 1.618027       10.95423 
1 1 1 -4  11 4  o 258.1616 5.878913 1955.732       89.01007 2005.208       126.0691 1906.552       125.6903 261.1887 8.240382 254.6618 8.427251 6.526901       11.78654 
1 1 1 -4  11 5  o 324.6667 6.660247 3093.623       126.8173 3020.930       174.4932 3175.008       184.6292 320.5659 9.291142 328.6195 9.590059 -8.053619      13.35270 
1 1 1 -4  11 6  o 267.2903 5.666720 2096.217       88.83119 2147.809       135.9289 2057.758       117.3594 270.3235 8.584765 264.6596 7.568779 5.663849       11.44485 
1 1 1 -4  11 7  o 607.7686 9.732876 10848.15       346.9205 10973.05       550.8088 10766.02       446.6445 610.3706 15.39939 605.1556 12.58474 5.214966       19.88761 
1 1 1 -4  11 8  o 843.2835 13.13055 20904.12       649.3921 21646.13       1065.346 20465.40       819.1742 856.4351 21.21024 833.7473 16.75295 22.68781       27.02842 
1 1 1 -4  11 9  o 376.0467 6.227230 4148.730       137.3369 4190.417       195.7282 4108.301       192.7534 377.8384 8.832769 374.1200 8.784975 3.718414       12.45767 
1 1 1 -4  11 10 o 409.5570 6.579474 4921.077       158.0360 4899.630       224.5088 4942.141       222.4981 408.5618 9.369688 410.3357 9.245630 -1.773865      13.16331 
1 1 1 -4  11 11 o 809.6639 11.27802 19248.66       535.5353 19082.92       746.8751 19424.05       768.3021 805.6608 15.80685 812.7886 16.11773 -7.127747      22.57516 
1 1 1 -4  11 12 o 613.1550 8.853810 11033.14       318.3838 10785.95       440.3234 11303.99       460.9070 606.0215 12.38891 620.3826 12.66786 -14.36108      17.71891 
1 1 1 -4  11 13 f 703.1588 9.795994 14512.52       403.9731 14367.53       565.9146 14663.16       576.8509 699.3088 13.79848 706.4543 13.92288 -7.145569      19.60216 
1 1 1 -4  11 14 o 244.4186 7.189108 1754.264       102.9408 1729.296       141.3511 1782.461       150.2134 242.5148 9.959451 246.1893 10.42734 -3.674484      14.41943 
1 1 1 -4  11 15 o 183.9450 6.995678 994.1488       75.33140 901.2578       106.7313 1086.358       106.3391 174.8994 10.45296 192.1510 9.465392 -17.25166      14.10170 
1 1 1 -4  11 16 o 805.7465 11.36399 19065.57       537.0067 19012.81       756.1535 19119.27       762.7739 804.0510 16.03525 806.2852 16.13083 -2.234131      22.74496 
1 1 1 -4  11 17 o 1501.650 20.23121 66450.34       1781.727 66944.68       2562.754 65987.85       2478.827 1503.299 29.06772 1492.904 28.31156 10.39502       40.57680 
1 1 1 -4  11 18 o 920.1882 12.62117 24881.47       681.1252 25160.02       982.4778 24623.70       945.1210 924.3067 18.12409 914.5089 17.62175 9.797791       25.27862 
1 1 1 -4  11 19 o 171.2235 7.649907 862.1291       76.62530 870.7212       114.1369 855.0791       103.3878 171.7837 11.39343 170.3160 10.40013 1.467728       15.42638 
1 1 1 -4  11 20 f 363.2269 6.509428 3871.495       138.6664 3734.812       190.5724 4025.285       202.1469 356.5219 9.121795 370.1192 9.320100 -13.59732      13.04114 
1 1 1 -4  11 21 o 365.0606 10.96352 3920.458       234.4623 3873.901       349.8435 3958.421       315.9070 362.1516 16.51496 366.3571 14.73299 -4.205475      22.13153 
1 1 1 -4  11 22 o 171.4622 6.765961 864.3079       67.90393 841.3157       95.41600 887.9022       96.65735 168.9339 9.671024 173.5756 9.531602 -4.641739      13.57866 
1 1 1 -4  11 23 o 286.7355 6.003409 2413.132       100.9555 2461.497       141.7080 2363.285       143.8616 289.3503 8.359406 283.4866 8.663067 5.863708       12.03862 
1 1 1 -4  11 24 o 558.5150 8.330215 9165.982       272.8611 9270.177       391.8979 9067.946       380.1385 561.0821 11.90957 554.9726 11.67938 6.109497       16.68070 
1 1 1 -4  11 25 f 171.8089 6.602253 868.1455       66.40173 846.2485       94.69966 889.3237       93.13242 169.3471 9.573982 173.6599 9.176886 -4.312759      13.26184 
1 1 1 -4  11 26 o 189.7271 6.526815 1058.510       72.51604 1065.478       103.0556 1051.677       102.0580 190.0820 9.272404 188.8474 9.242869 1.234543       13.09229 
1 1 1 -4  11 27 o 323.9826 5.719578 3082.216       108.6766 3123.365       125.8843 2961.809       215.3371 326.0651 6.582892 316.7013 11.61327 9.363800       13.34925 
1 1 1 -4  11 28 o 221.5900 5.853162 1443.182       75.99952 1468.586       84.78912 1339.359       171.4110 223.4758 6.476157 212.3240 13.84085 11.15181       15.28102 
1 1 1 -4  11 29 o 217.5990 6.542529 1392.669       83.39874 1548.691       117.2546 1232.926       118.6449 229.2119 8.738530 204.3107 9.931400 24.90118       13.22855 
1 1 1 -4  11 30 o 159.9703 7.935072 754.6604       74.21351 813.8925       106.3800 698.5016       103.5834 165.7280 11.00732 153.3820 11.60105 12.34602       15.99204 
1 1 1 -4  11 31 o 220.5909 7.034446 1431.936       90.88924 1504.680       131.4541 1365.310       125.8055 225.7394 9.953719 215.0021 10.00458 10.73727       14.11269 
1 1 1 -4  11 32 o 513.8692 8.138426 7769.166       245.2695 7964.291       352.7655 7586.574       341.2481 519.3965 11.58074 506.9607 11.47745 12.43585       16.30477 
1 1 1 -4  11 33 o 158.1283 9.012408 738.7390       83.23361 727.6213       118.1503 749.6926       117.2748 156.2983 13.00710 158.7224 12.70442 -2.424072      18.18204 
1 1 1 -4  11 34 o 138.8089 9.952149 571.1729       80.48093 486.5989       109.5763 670.2365       118.5920 127.1357 14.98341 149.7619 13.65211 -22.62611      20.27024 
1 1 1 -4  11 35 o 187.9587 8.080902 1042.332       88.87040 1037.356       119.7959 1048.423       132.5301 187.0286 10.96969 187.8014 12.09711 -0.7727661     16.33016 
1 1 1 -4  11 36 o 300.5353 6.985087 2658.405       123.1170 2621.030       162.0762 2709.394       189.3051 297.8502 9.289710 302.4706 10.68838 -4.620483      14.16122 
1 1 1 -4  11 37 o 33.89238 15.75315 -65.10770      75.53397 -181.9467      103.5226 67.90709       110.4565 33.49927 16.32218 57.94829 22.57310 -24.44902      27.85603 
1 1 1 -4  11 38 o 107.8292 13.64217 352.0093       84.34441 304.0792       115.5155 406.7416       123.4405 98.20759 20.70916 114.4911 19.05312 -16.28355      28.14055 
1 1 1 -4  11 39 o 99.54005 15.61526 304.7310       88.16209 281.9604       125.1854 327.1376       124.1807 93.66180 22.96833 101.3842 21.54962 -7.722366      31.49492 
1 1 1 -4  11 40 f 44.08744 18.69375 8.890265       83.84127 59.93491       121.8459 -37.01077      115.5439 58.01339 23.34988 46.35836 20.73215 11.65503       31.22561 
1 1 1 -4  11 41 o 209.5215 8.385380 1303.990       102.8309 1214.564       141.2229 1404.912       150.0258 200.8300 12.04555 216.1176 11.88227 -15.28761      16.91992 
1 1 1 -4  11 42 o 128.2506 12.11509 499.5301       90.04485 411.1970       126.9562 588.9469       127.7326 113.0040 19.88184 137.6182 16.13202 -24.61417      25.60331 
1 1 1 -4  11 43 o 38.86220 17.38528 -25.29048      81.31892 5.535086       117.7984 -53.35361      112.3963 50.10778 21.71517 43.52522 19.85780 6.582569       29.42585 
1 1 1 -4  11 44 o 134.3026 12.28411 551.5529       95.68584 548.7269       134.9694 554.4084       135.6737 130.9682 18.05150 131.6572 18.04550 -0.6889954     25.52443 
1 1 1 -4  11 45 o 124.5023 13.46764 480.6077       96.77396 519.6117       132.1838 435.5523       142.0683 126.7554 18.31133 113.5007 22.13798 13.25465       28.72969 
1 1 1 -4  11 46 o 194.0662 9.676189 1136.104       109.7824 1051.602       148.0021 1239.473       163.6924 184.0518 13.81201 199.6842 14.06767 -15.63240      19.71474 
1 1 1 -4  11 47 o 220.4903 9.784142 1470.399       126.2060 1377.395       176.2823 1568.195       180.7666 209.6913 14.42218 224.3895 13.80295 -14.69824      19.96298 
1 1 1 -4  11 48 o 91.83042 20.79546 290.9619       109.3858 166.8559       162.3997 394.0238       147.9919 70.89058 27.43838 104.3467 24.58881 -33.45612      36.84392 
1 1 1 -4  11 49 o 59.83681 22.58522 110.4244       108.2354 84.88802       159.7537 132.0924       147.1570 61.42524 25.91299 65.43037 25.88333 -4.005138      36.62553 
1 1 1 -4  11 50 f 41.77499 19.29730 -53.55071      110.7434 41.54688       155.0965 -152.4654      158.1786 56.71020 24.74244 44.16942 21.18673 12.54078       32.57401 
1 1 1 -4  12 1  o 504.4142 9.135426 7472.529       270.2506 7681.666       394.1117 7286.910       371.2923 510.8309 13.16600 497.5859 12.73369 13.24503       18.31640 
1 1 1 -4  12 2  o 278.0876 6.099802 2269.225       99.48275 2170.124       133.1802 2394.322       149.6322 271.7383 8.366736 285.3989 8.950753 -13.66061      12.25228 
1 1 1 -4  12 3  o 104.9292 6.206883 324.2045       38.02560 359.3085       50.22552 277.0598       58.20523 110.3600 7.810472 96.55048 10.44527 13.80948       13.04251 
1 1 1 -4  12 4  o 193.9803 5.549500 1104.870       63.06894 1112.940       86.28789 1095.614       92.41267 194.5773 7.575963 193.0147 8.182328 1.562546       11.15104 
1 1 1 -4  12 5  o 489.7101 8.941622 7040.974       256.8065 7120.211       366.8994 6964.872       359.5699 491.9847 12.72652 486.5988 12.61037 5.385956       17.91608 
1 1 1 -4  12 6  o 727.0610 11.34580 15529.27       483.7896 16209.09       805.5811 15145.77       605.0477 741.6855 18.51991 717.6334 14.37595 24.05212       23.44472 
1 1 1 -4  12 7  o 761.6099 11.77944 17039.54       526.1480 17487.37       860.8464 16772.48       664.7670 770.4486 19.05160 755.2001 15.00918 15.24847       24.25364 
1 1 1 -4  12 8  o 35.65372 13.77459 23.80774       40.87311 1.243758       55.43540 50.68572       60.50311 35.89843 15.21014 46.44768 17.00788 -10.54925      22.81702 
1 1 1 -4  12 9  o 419.3480 7.387418 5159.681       181.6845 5303.470       287.8990 5064.519       234.2122 424.8147 11.56630 415.3789 9.614231 9.435760       15.04037 
1 1 1 -4  12 10 o 510.7387 7.716072 7653.842       231.1242 7736.626       329.6992 7573.850       324.0911 513.3366 10.95128 507.9117 10.87999 5.424866       15.43712 
1 1 1 -4  12 11 o 303.2809 5.817132 2698.089       103.4676 2856.745       152.9337 2564.171       140.5057 311.9026 8.368090 295.5005 8.115149 16.40207       11.65678 
1 1 1 -4  12 12 f 184.5277 6.061828 999.9338       65.51277 1024.373       92.68315 975.5306       92.61497 186.6442 8.489346 182.1179 8.696301 4.526306       12.15297 
1 1 1 -4  12 13 o 75.68996 13.79276 173.5649       58.97146 204.5059       82.70153 141.5589       84.11287 81.80933 17.74830 68.62199 19.80438 13.18734       26.59353 
1 1 1 -4  12 14 o 436.9971 7.077466 5602.880       181.3873 5788.319       267.0459 5444.045       247.1487 444.0387 10.25450 430.6528 9.785444 13.38586       14.17426 
1 1 1 -4  12 15 o 304.8919 6.656559 2727.273       119.0272 2612.357       167.0947 2845.650       169.5929 298.1673 9.567859 311.2263 9.301833 -13.05899      13.34421 
1 1 1 -4  12 16 o 779.0192 11.01061 17821.54       503.0488 17729.11       709.0635 17915.20       713.7970 776.4352 15.57146 780.4963 15.59385 -4.061096      22.03721 
1 1 1 -4  12 17 o 600.9084 8.926374 10599.40       314.5821 10625.85       450.2966 10574.19       439.6663 601.3361 12.76824 599.8991 12.49667 1.436951       17.86602 
1 1 1 -4  12 18 o 141.1243 9.008629 587.0475       74.17157 562.8887       113.1684 605.2400       98.20480 137.6279 14.22544 143.0432 11.81135 -5.415253      18.48976 
1 1 1 -4  12 19 o 566.1418 8.424884 9409.275       279.7304 9181.951       388.6741 9653.553       402.9068 558.9553 11.85654 573.1160 11.98703 -14.16071      16.86020 
1 1 1 -4  12 20 o 456.2120 7.294426 6109.091       195.1679 6260.338       284.6800 5974.963       268.0851 461.5828 10.51615 450.9719 10.13614 10.61096       14.60585 
1 1 1 -4  12 21 o 520.0947 7.867808 7942.354       239.9865 7846.814       333.9765 8044.353       345.0800 516.6346 11.02254 523.0696 11.24889 -6.434998      15.74910 
1 1 1 -4  12 22 o 334.4512 6.260014 3283.182       122.7887 3302.052       172.6279 3263.858       174.6894 335.1431 8.790334 333.1826 8.948023 1.960541       12.54341 
1 1 1 -4  12 23 o 171.1057 6.829174 860.9969       68.39270 840.3214       99.19379 879.7325       94.42603 168.7468 10.06880 172.7450 9.355335 -3.998138      13.74420 
1 1 1 -4  12 24 o 137.9456 7.739774 560.8242       62.36505 563.7699       91.82447 558.3019       84.96894 137.8972 11.45750 137.3270 10.63280 0.5701904      15.63108 
1 1 1 -4  12 25 o 99.47241 9.708984 293.8868       55.92031 350.1615       84.82375 250.6282       74.36991 108.0642 13.69078 91.01884 14.41149 17.04534       19.87784 
1 1 1 -4  12 26 o 234.2622 6.178285 1612.850       84.80890 1694.314       120.2568 1532.244       119.6215 239.8676 8.562187 228.0445 8.961599 11.82301       12.39441 
1 1 1 -4  12 27 o 188.1582 6.656813 1041.518       73.34243 987.7537       102.0993 1098.841       105.4243 182.9139 9.550642 192.9786 9.342721 -10.06468      13.36043 
1 1 1 -4  12 28 o 172.1873 9.538312 875.8834       95.94511 881.3133       119.9346 866.2318       159.9009 172.3630 11.93828 170.0469 16.23029 2.316071       20.14807 
1 1 1 -4  12 29 o 254.1450 5.881975 1897.347       87.67087 1878.132       96.97169 1983.346       205.1510 252.7176 6.548246 258.5146 13.57887 -5.796967      15.07532 
1 1 1 -4  12 30 o 468.9719 7.032175 6465.612       193.4136 6506.054       225.9675 6354.798       374.0476 470.2245 8.193892 463.0804 13.78808 7.144073       16.03905 
1 1 1 -4  12 31 o 29.30807 14.00639 -91.75536      67.75116 -21.58279      101.7478 -147.6536      90.81139 45.51553 19.94495 32.27105 15.62176 13.24448       25.33457 
1 1 1 -4  12 32 o 138.4394 10.48907 568.3591       84.52859 731.4974       127.8971 441.8327       112.6350 156.5343 14.08196 120.8844 16.30258 35.64992       21.54242 
1 1 1 -4  12 33 o 444.2219 9.308567 5814.156       242.5121 6093.286       486.8405 5722.035       279.6819 451.2877 18.43307 440.3191 10.83044 10.96854       21.37935 
1 1 1 -4  12 34 o 183.6534 8.309631 995.2613       89.26982 1006.110       122.4901 982.9719       130.3713 184.1511 11.39750 181.8394 12.29718 2.311707       16.76674 
1 1 1 -4  12 35 o 154.5737 10.43765 709.1609       94.06650 730.5093       142.4344 692.6472       125.2723 155.7075 15.81675 151.9736 14.22031 3.733841       21.26938 
1 1 1 -4  12 36 o 163.8275 9.012711 794.4402       86.26134 835.7601       116.4195 744.1396       128.4497 167.4714 11.93132 157.4777 14.05555 9.993744       18.43678 
1 1 1 -4  12 37 o 215.6609 7.795582 1372.771       98.43630 1461.750       133.2296 1265.806       146.0754 222.0286 10.25928 206.1122 12.13807 15.91635       15.89294 
1 1 1 -4  12 38 o 95.51224 15.71715 280.5883       84.98100 317.3497       118.6055 241.8061       121.8216 100.2300 20.85669 86.99213 23.37906 13.23791       31.33021 
1 1 1 -4  12 39 o 38.33681 17.39442 -44.48419      84.76216 -65.45435      123.9286 -26.05152      116.1889 45.93526 20.91654 47.71445 21.09502 -1.779194      29.70693 
1 1 1 -4  12 40 o 313.8699 7.381704 2911.351       135.8804 3014.713       189.7571 2802.573       194.6647 318.1277 10.18371 306.3956 10.85026 11.73203       14.88073 
1 1 1 -4  12 41 o 66.94463 19.86362 143.2541       83.60450 57.34198       125.7876 211.2394       111.8969 57.69170 23.53967 80.12994 22.75251 -22.43823      32.73825 
1 1 1 -4  12 42 o 82.64792 18.05016 220.1284       85.03503 222.1377       122.8957 218.2828       117.7826 81.43364 24.06282 80.84138 23.46654 0.5922546      33.61098 
1 1 1 -4  12 43 o 160.6393 10.04350 775.8287       94.14759 743.5513       130.3865 810.9895       136.0859 155.2061 14.49182 162.1577 14.46109 -6.951599      20.47281 
1 1 1 -4  12 44 o 111.4961 14.34536 388.0428       91.63292 451.5249       125.5424 315.6620       134.0529 118.0396 18.76193 95.55103 23.96628 22.48857       30.43670 
1 1 1 -4  12 45 o 152.1606 11.56337 706.6163       102.4172 652.7887       138.5382 771.4881       152.0878 143.1630 16.82069 155.6775 16.93018 -12.51450      23.86560 
1 1 1 -4  12 46 o 48.80155 20.40027 34.78497       97.61543 72.78533       141.3530 0.1408691      134.9664 59.47001 24.67907 51.45564 22.74304 8.014366       33.56042 
1 1 1 -4  12 47 o 138.6497 13.91337 603.0948       111.6089 478.9045       159.1405 723.3036       156.5686 116.1451 24.15137 148.5506 18.36180 -32.40546      30.33882 
1 1 1 -4  12 48 o 134.5107 15.00308 575.9338       116.3427 370.8777       170.0557 756.3605       159.5164 98.02630 28.11912 151.5663 18.31640 -53.54002      33.55853 
1 1 1 -4  12 49 o 47.45656 20.87116 6.313328       112.3381 237.9420       160.9865 -213.5230      156.8350 78.96140 27.88796 41.15406 20.06038 37.80733       34.35342 
1 1 1 -4  12 50 o 52.24785 22.19316 44.56305       118.5251 37.32244       172.3858 51.05482       163.2284 58.18237 25.71027 58.31792 25.41434 -0.1355515     36.15117 
1 1 1 -4  13 1  o 514.0043 9.285054 7756.937       279.8992 7655.480       388.0791 7866.932       404.0801 510.1675 12.98105 517.1264 13.33469 -6.958862      18.60971 
1 1 1 -4  13 2  o 216.4975 5.212088 1374.966       66.17823 1384.435       84.81084 1360.226       105.8174 217.1131 6.668528 215.1046 8.404138 2.008499       10.72841 
1 1 1 -4  13 3  o 123.8909 6.203119 451.4518       44.92792 389.3421       58.62895 539.8127       69.92981 114.8339 8.771843 135.3177 8.860390 -20.48380      12.46803 
1 1 1 -4  13 4  o 205.5695 5.770256 1240.698       69.49834 1289.777       96.77394 1188.430       99.87016 209.4910 7.890772 201.0429 8.489362 8.448105       11.59024 
1 1 1 -4  13 5  o 670.0815 11.69982 13188.62       459.7877 13126.93       645.3276 13252.23       655.2621 667.9663 16.47309 671.1231 16.64801 -3.156799      23.42049 
1 1 1 -4  13 6  o 531.8683 8.837186 8302.656       275.6567 8871.597       461.0451 7986.115       343.8943 549.2047 14.32615 521.4867 11.24427 27.71796       18.21187 
1 1 1 -4  13 7  o 562.0104 9.143369 9270.386       301.3708 9691.153       497.0221 9025.735       378.9895 574.0212 14.77606 554.3900 11.65631 19.63116       18.82024 
1 1 1 -4  13 8  f 527.0344 8.694651 8151.453       268.7458 8540.877       443.1901 7924.985       337.9737 538.9604 14.03306 519.5355 11.09219 19.42493       17.88752 
1 1 1 -4  13 9  o 395.9309 7.190509 4599.202       166.9666 4764.787       265.3026 4490.606       214.8511 402.6893 11.24466 391.1586 9.365568 11.53070       14.63408 
1 1 1 -4  13 10 o 78.43192 11.60196 184.5239       51.75929 217.8280       71.48087 147.8141       75.04663 84.85883 14.90657 69.61495 18.18530 15.24388       23.51406 
1 1 1 -4  13 11 o 332.5801 6.139951 3244.726       119.7600 3288.971       170.8765 3202.011       167.8952 334.6624 8.713536 330.2075 8.677155 4.454895       12.29710 
1 1 1 -4  13 12 o 629.0326 9.100135 11612.90       335.7156 11609.43       471.8771 11616.46       477.7240 628.6741 12.79832 628.8513 12.95325 -0.1772461     18.20943 
1 1 1 -4  13 13 f 455.7925 7.314696 6095.453       195.5303 6128.409       280.9299 6064.488       272.3144 456.8838 10.48435 454.5085 10.21593 2.375305       14.63855 
1 1 1 -4  13 14 o 421.6876 7.295596 5217.501       180.4272 4998.752       248.1369 5462.907       262.8210 412.6324 10.25363 431.3578 10.38896 -18.72534      14.59682 
1 1 1 -4  13 15 o 518.2131 8.167744 7881.031       248.2339 7880.851       353.0765 7881.208       349.0692 517.9960 11.62230 518.0172 11.48991 -0.2111816E-01 16.34307 
1 1 1 -4  13 16 o 246.9459 8.132304 1791.680       117.6179 1824.224       145.2280 1729.643       200.5114 249.0623 9.962513 242.1441 14.18143 6.918259       17.33103 
1 1 1 -4  13 17 o 326.1130 8.514228 3123.815       162.7018 2676.013       346.0272 3250.919       184.3521 300.6463 19.73383 332.6216 9.459940 -31.97522      21.88412 
1 1 1 -4  13 18 f 80.66037 14.32165 197.0763       65.26757 165.5966       95.16975 225.0286       89.67931 73.96344 20.97690 85.75726 18.38313 -11.79382      27.89211 
1 1 1 -4  13 19 o 90.83208 12.53940 247.1650       65.01835 198.8559       98.12177 284.9803       86.81295 80.52859 20.67237 97.14018 15.77924 -16.61160      26.00637 
1 1 1 -4  13 20 o 298.9244 6.284702 2622.356       110.1784 2466.085       150.1696 2804.557       162.1510 289.6323 8.851043 308.8776 8.960700 -19.24533      12.59504 
1 1 1 -4  13 21 o 613.1807 8.835814 11045.40       317.7500 11103.40       450.2677 10987.86       448.4705 614.2343 12.49932 611.0273 12.51477 3.206970       17.68763 
1 1 1 -4  13 22 o 154.5650 8.825315 704.2793       79.66785 731.4227       97.41097 649.4471       138.4499 157.3430 10.61844 147.4247 16.28403 9.918304       19.44019 
1 1 1 -4  13 23 o 136.4787 7.773933 548.9714       61.96641 547.6079       91.10232 550.1454       84.53339 135.8954 11.53976 136.3229 10.65792 -0.4274597     15.70851 
1 1 1 -4  13 24 o 348.0206 6.348145 3556.650       129.5694 3596.989       184.9398 3517.761       181.5838 349.6223 9.027017 345.7565 8.962362 3.865784       12.72049 
1 1 1 -4  13 25 o 95.63474 10.41819 272.4704       57.48950 231.6932       87.32002 303.6690       76.37889 86.82383 17.74814 100.5695 13.27336 -13.74562      22.16255 
1 1 1 -4  13 26 o 387.0772 6.703129 4401.977       152.1688 4409.415       214.6013 4394.457       215.8021 387.0378 9.454279 386.3699 9.523616 0.6678772      13.41949 
1 1 1 -4  13 27 o 70.81477 17.87156 155.0078       74.21379 126.4415       85.40980 243.0443       149.9381 65.14138 20.23447 88.94254 26.65206 -23.80116      33.46291 
1 1 1 -4  13 28 o 304.1218 5.934100 2716.929       105.8407 2776.170       121.2438 2527.200       216.9779 307.3427 6.726451 292.1270 12.69496 15.21573       14.36688 
1 1 1 -4  13 29 o 116.1373 9.286209 399.7633       62.72350 383.8733       67.88631 492.4725       163.9763 113.6493 10.29671 126.0713 23.02580 -12.42198      25.22320 
1 1 1 -4  13 30 o 130.5881 8.757059 504.2451       66.67988 508.8835       72.14089 477.0413       174.7078 131.1018 9.445908 123.5437 24.97227 7.558067       26.69905 
1 1 1 -4  13 31 o 262.3446 6.576446 2023.871       101.1047 1998.850       111.0864 2144.630       244.0427 260.6350 7.274493 268.3640 15.57258 -7.728912      17.18789 
1 1 1 -4  13 32 o 153.9075 12.04336 704.0776       107.8420 740.5657       124.5789 594.9891       215.4062 157.5819 13.61328 137.4736 27.67578 20.10831       30.84266 
1 1 1 -4  13 33 o 314.7725 7.484934 2914.914       138.1768 2851.572       204.8770 2967.767       187.1475 310.4965 11.26956 317.0385 10.07798 -6.542023      15.11849 
1 1 1 -4  13 34 f 205.2431 7.816113 1241.923       93.91081 1134.142       126.4411 1374.531       140.2496 195.5830 11.06834 215.3589 11.14211 -19.77585      15.70525 
1 1 1 -4  13 35 o 151.3631 9.785614 679.4052       86.40226 647.7015       118.4607 715.4427       126.2980 146.9315 13.91275 154.4409 14.09921 -7.509430      19.80788 
1 1 1 -4  13 36 o 123.4397 11.31400 455.1865       80.99699 450.7880       108.5984 460.7007       121.5942 121.8539 15.54996 122.7014 17.38323 -0.8475266     23.32334 
1 1 1 -4  13 37 o 268.0190 7.356607 2118.274       115.5268 2211.938       156.7157 2006.794       170.9729 273.3007 9.793183 259.8938 11.24370 13.40689       14.91064 
1 1 1 -4  13 38 o 232.2551 7.958459 1594.040       108.2437 1660.302       149.8897 1521.821       156.4825 236.2686 10.84614 225.8681 11.85450 10.40044       16.06761 
1 1 1 -4  13 39 o 85.39326 17.64300 229.5507       85.43365 229.0128       121.5072 230.0767       120.1472 84.16266 23.64487 84.35687 23.44413 -0.1942139     33.29725 
1 1 1 -4  13 40 f 47.69514 19.02561 40.97892       80.14689 179.2021       117.7626 -78.28744      109.3896 74.90914 23.82860 41.26880 19.10409 33.64035       30.54126 
1 1 1 -4  13 41 f 36.76339 16.80971 -46.58981      81.11713 84.77966       123.5913 -146.0063      107.5152 60.65097 23.80382 35.99724 17.31860 24.65372       29.43732 
1 1 1 -4  13 42 o 129.3814 12.36583 510.1154       92.69050 517.0646       135.8828 504.0678       126.7604 127.2867 18.76473 126.2533 17.59698 1.033409       25.72487 
1 1 1 -4  13 43 o 38.29477 17.45769 -43.09663      86.64915 -51.79314      124.0374 -34.80764      121.0963 45.90145 20.91066 46.73543 21.03644 -0.8339806     29.66121 
1 1 1 -4  13 44 o 32.98303 15.80837 -109.8069      87.67355 -198.8986      124.8609 -23.16070      123.1353 36.59735 17.85241 47.81340 21.39121 -11.21604      27.86203 
1 1 1 -4  13 45 o 73.76059 20.99318 184.5837       95.14958 226.6198       137.1923 145.6239       132.0771 80.06310 25.74582 67.91376 25.08451 12.14934       35.94552 
1 1 1 -4  13 46 o 145.0772 13.01204 652.9353       109.5375 684.1068       162.8012 627.1518       148.0642 143.5892 19.86382 138.2722 18.74044 5.317017       27.30889 
1 1 1 -4  13 47 o 65.32269 22.88516 142.5871       108.2523 95.23322       163.4655 179.5757       144.4716 63.38690 26.44088 71.95737 26.29233 -8.570465      37.28816 
1 1 1 -4  13 48 o 110.7306 17.95247 405.9931       112.5962 283.0010       171.6527 498.8808       149.1733 85.18649 28.85945 119.7032 22.06145 -34.51670      36.32596 
1 1 1 -4  13 49 o 176.7702 12.74726 974.5557       131.2653 1037.312       200.9563 927.8519       173.3602 175.2230 19.90758 167.7490 17.89746 7.473984       26.76996 
1 1 1 -4  13 50 o 126.1733 17.21972 525.8698       124.1003 439.4219       185.7912 595.5113       166.7563 104.1230 29.23289 129.2596 22.83198 -25.13652      37.09261 
1 1 1 -4  14 1  o 615.5365 10.85180 11125.28       391.7476 10896.63       537.6983 11383.96       571.9127 608.8004 15.05959 622.0007 15.69044 -13.20026      21.74813 
1 1 1 -4  14 2  o 395.9860 7.674856 4601.167       178.2381 4464.840       241.3757 4764.638       264.3171 389.8174 10.56775 402.6531 11.20382 -12.83569      15.40140 
1 1 1 -4  14 3  o 819.1678 14.06239 19720.08       675.5887 19831.10       961.7693 19611.94       949.2079 820.5642 19.98517 816.0444 19.83340 4.519836       28.15618 
1 1 1 -4  14 4  o 1062.864 17.99635 33240.82       1121.793 33572.06       1607.700 32926.53       1566.030 1066.241 25.70984 1056.061 25.28486 10.17981       36.05995 
1 1 1 -4  14 5  o 339.6568 7.049176 3384.738       140.4201 3537.747       204.9384 3249.337       192.7862 347.0097 10.08072 332.5638 9.895409 14.44592       14.12587 
1 1 1 -4  14 6  o 379.1099 7.527972 4216.954       167.3762 4312.039       239.5300 4126.225       233.9789 383.1018 10.67133 374.7512 10.65674 8.350677       15.08122 
1 1 1 -4  14 7  o 272.7052 6.158980 2181.579       98.50373 2217.395       147.0066 2152.394       132.7000 274.7210 9.136904 270.7028 8.368538 4.018219       12.39013 
1 1 1 -4  14 8  o 98.54739 9.448180 287.6436       53.93835 346.7456       73.50397 218.6848       79.39715 108.0284 11.79303 84.79445 16.55995 23.23392       20.32997 
1 1 1 -4  14 9  o 404.2070 7.290549 4793.572       172.8282 4913.775       272.1328 4712.316       223.7432 408.9313 11.35797 400.6913 9.521151 8.239990       14.82079 
1 1 1 -4  14 10 o 530.3793 8.824167 8255.434       274.4801 8608.383       449.0826 8044.955       346.7957 541.0746 14.16420 523.4412 11.29680 17.63342       18.11746 
1 1 1 -4  14 11 o 648.2963 10.23191 12338.08       389.0280 12390.78       618.7279 12303.63       500.2908 648.9296 16.27025 647.1548 13.18147 1.774780       20.93973 
1 1 1 -4  14 12 o 629.7294 9.138117 11639.26       337.4902 12142.13       502.9319 11227.32       455.1968 642.8572 13.33964 618.2346 12.55438 24.62262       18.31826 
1 1 1 -4  14 13 o 416.8781 7.387059 5099.276       180.6056 5372.092       271.6717 4883.219       241.7657 427.5944 10.84208 407.8404 10.10774 19.75397       14.82285 
1 1 1 -4  14 14 o 588.8132 8.961353 10176.43       309.4580 10389.10       444.3046 9976.072       431.2659 594.6404 12.74019 582.7111 12.61948 11.92926       17.93219 
1 1 1 -4  14 15 o 219.5541 9.185680 1417.526       118.0166 1456.441       154.4795 1362.975       182.8976 222.3443 11.88985 214.8067 14.60496 7.537659       18.83277 
1 1 1 -4  14 16 o 495.6862 7.806352 7211.057       226.9371 7311.734       328.7461 7119.408       313.6601 498.9101 11.23538 492.3327 10.86301 6.577423       15.62814 
1 1 1 -4  14 17 o 306.7879 6.533025 2761.722       117.5447 2664.130       161.9657 2870.323       170.8570 301.0835 9.183192 312.5171 9.332443 -11.43359      13.09296 
1 1 1 -4  14 18 o 334.8249 6.564720 3289.902       128.9094 3221.236       181.9516 3359.104       182.6612 331.0503 9.381006 338.0792 9.221110 -7.028900      13.15417 
1 1 1 -4  14 19 o 185.3425 12.65002 1015.191       136.6802 875.4800       294.9377 1053.401       154.2425 168.6731 30.95533 188.6482 14.04193 -19.97511      33.99130 
1 1 1 -4  14 20 f 395.9718 6.732118 4602.497       156.3387 4682.538       225.5664 4528.500       216.8818 399.1861 9.634926 392.5835 9.419775 6.602570       13.47457 
1 1 1 -4  14 21 o 391.3044 6.674317 4495.190       153.1694 4545.898       220.0763 4447.553       213.3107 393.2701 9.541836 389.0110 9.349753 4.259094       13.35906 
1 1 1 -4  14 22 o 175.4208 6.599200 904.7992       67.77163 982.0632       98.05200 834.1243       93.77790 182.5468 9.188196 168.1625 9.547922 14.38432       13.25088 
1 1 1 -4  14 23 o 308.8708 6.175781 2801.115       111.8714 2939.797       163.8940 2680.131       153.0793 316.0884 8.849766 301.8173 8.657066 14.27112       12.37995 
1 1 1 -4  14 24 o 304.6414 6.191602 2725.356       110.6223 2778.553       159.6615 2676.242       153.4125 307.2411 8.870033 301.5505 8.683657 5.690613       12.41303 
1 1 1 -4  14 25 f 110.0094 12.71493 361.9029       80.52592 379.4081       99.95992 329.5410       135.9124 112.1410 15.62239 102.9260 23.08577 9.214958       27.87493 
1 1 1 -4  14 26 o 220.4177 6.418615 1428.554       82.88492 1442.545       119.6837 1415.660       114.8967 221.1733 9.247215 219.1369 8.958975 2.036438       12.87533 
1 1 1 -4  14 27 o 201.3663 6.769333 1193.035       79.82987 1209.168       114.6652 1177.861       111.2072 202.3713 9.689373 199.7520 9.520129 2.619232       13.58370 
1 1 1 -4  14 28 o 518.2390 8.033522 7901.442       244.1668 7995.869       348.0175 7809.904       342.6529 520.4620 11.40149 514.3869 11.35832 6.075134       16.09364 
1 1 1 -4  14 29 o 96.60459 11.51158 279.3275       63.93880 321.9734       68.57572 -4.407264      176.8838 103.8216 11.45250 62.27421 26.79646 41.54744       29.14120 
1 1 1 -4  14 30 o 334.7490 6.448050 3292.845       126.5897 3261.409       142.3835 3411.429       276.5413 333.0502 7.289528 339.1430 13.93325 -6.092834      15.72491 
1 1 1 -4  14 31 o 258.9083 6.912205 1971.902       104.8635 1895.774       114.2175 2380.402       264.5795 253.7627 7.683428 282.6175 16.02842 -28.85484      17.77485 
1 1 1 -4  14 32 o 149.8494 8.976825 663.7157       78.52951 712.5504       85.20776 388.3026       202.3518 155.2253 9.403904 110.4909 30.31634 44.73444       31.74136 
1 1 1 -4  14 33 o 194.1288 9.598705 1114.008       108.9443 1068.208       126.1672 1248.250       216.0030 189.7744 11.38836 203.4716 18.29630 -13.69713      21.55109 
1 1 1 -4  14 34 o 49.99070 18.78594 56.65672       74.70109 28.53708       110.4812 80.33898       101.3899 52.97659 21.88592 58.52512 21.90833 -5.548527      30.96722 
1 1 1 -4  14 35 o 198.5869 8.102731 1164.293       94.17149 1143.551       129.9965 1187.197       136.6064 196.1712 11.34759 199.8074 11.70891 -3.636276      16.30541 
1 1 1 -4  14 36 o 392.7260 7.295378 4543.348       168.0305 4615.408       231.9040 4463.703       243.8043 394.9106 10.02098 388.1048 10.72156 6.805756       14.67555 
1 1 1 -4  14 37 o 172.3346 9.246699 880.4643       93.11438 908.7821       127.0199 847.5688       136.9020 174.3177 12.50766 167.8876 14.03225 6.430069       18.79748 
1 1 1 -4  14 38 o 110.4559 13.99204 370.9498       88.60943 350.7090       131.0543 387.9951       120.2651 104.8251 22.01898 111.4076 19.09330 -6.582550      29.14429 
1 1 1 -4  14 39 o 141.2500 10.53798 597.1100       86.66730 697.8314       127.7929 511.3324       117.9323 151.4362 14.56842 128.9509 15.93253 22.48526       21.58899 
1 1 1 -4  14 40 o 90.80988 16.58822 259.6752       85.09089 322.2408       122.7921 201.8752       118.0229 99.37044 21.68095 78.55802 23.67000 20.81242       32.09879 
1 1 1 -4  14 41 o 46.62786 18.97191 34.25453       81.43150 14.75872       120.1487 50.81886       110.7479 51.71220 22.16543 54.24881 22.10542 -2.536606      31.30425 
1 1 1 -4  14 42 o 55.02330 20.00310 84.41946       83.46983 121.6573       119.7769 49.26115       116.3845 64.84461 23.89902 54.70893 22.51831 10.13568       32.83653 
1 1 1 -4  14 43 f 80.55293 19.20426 214.0073       89.44032 281.9306       127.7878 148.7794       125.2265 90.55103 23.76701 68.76288 24.56476 21.78815       34.18037 
1 1 1 -4  14 44 o 158.8803 11.21857 767.8977       103.8620 719.0370       155.2509 807.4811       139.7370 149.5548 18.06607 160.7203 14.99799 -11.16554      23.48026 
1 1 1 -4  14 45 o 73.53073 21.43642 184.5654       98.09586 100.7637       149.5324 247.8767       129.9720 63.58643 25.76881 83.53011 24.76217 -19.94368      35.73789 
1 1 1 -4  14 46 o 53.51799 21.41358 66.96028       101.8414 44.45089       152.3178 85.15802       136.9549 57.67365 24.84201 60.02097 24.53488 -2.347324      34.91541 
1 1 1 -4  14 47 o 52.75555 21.60231 58.52102       106.4008 49.06375       168.2986 64.81788       137.3280 59.55405 25.88126 57.46083 24.12021 2.093220       35.37831 
1 1 1 -4  14 48 o 77.93630 23.32265 219.5474       114.8753 335.5045       190.6954 153.5001       143.9193 90.74886 30.41734 67.88146 25.94421 22.86739       39.97895 
1 1 1 -4  14 49 o 58.34433 23.64575 88.99085       125.9159 130.1130       202.7755 63.18306       160.6398 68.50330 29.06030 59.24745 25.51567 9.255856       38.67235 
1 1 1 -4  15 1  o 467.6256 13.12021 6428.383       359.4678 6428.383       359.4678 0.000000       0.000000 467.6256 13.12021 ?        ?        0.000000       13.12021 
1 1 1 -4  15 2  o 693.8972 12.09074 14139.73       492.0378 14171.01       696.2557 14108.52       695.4379 694.1608 17.10245 692.6265 17.12020 1.534302       24.19906 
1 1 1 -4  15 3  o 442.5490 7.046932 5745.888       182.8992 5699.986       224.6258 5836.189       315.0562 440.7212 8.690509 445.6384 12.06576 -4.917206      14.86969 
1 1 1 -4  15 4  f 392.1802 7.734565 4512.832       177.8984 4593.491       253.1220 4434.102       250.0784 395.4026 10.92588 388.4724 10.98758 6.930206       15.49521 
1 1 1 -4  15 5  o 263.0800 6.625075 2031.698       102.1371 2065.400       139.3234 1992.544       150.1733 265.1376 8.972811 260.3610 9.852594 4.776642       13.32610 
1 1 1 -4  15 6  o 275.7636 6.749558 2230.955       109.1598 2253.626       148.6656 2204.433       160.7979 276.9573 9.165277 273.8619 10.02841 3.095398       13.58571 
1 1 1 -4  15 7  o 633.9169 10.31623 11796.40       383.5341 12293.69       624.2625 11494.87       486.0948 646.3971 16.48055 625.5458 13.24986 20.85132       21.14633 
1 1 1 -4  15 8  o 452.0077 7.921379 5995.027       209.9893 6313.124       340.5166 5799.822       266.7497 463.4519 12.53956 444.4925 10.23267 18.95935       16.18481 
1 1 1 -4  15 9  o 953.2849 14.44961 26706.47       807.8474 26688.93       1282.756 26718.00       1039.998 951.3803 22.99002 952.8045 18.61137 -1.424194      29.57911 
1 1 1 -4  15 10 o 301.2290 7.100883 2662.261       125.4468 2847.484       193.8889 2528.896       164.5232 311.2451 10.63748 293.3659 9.575228 17.87915       14.31227 
1 1 1 -4  15 11 o 86.74715 16.37068 228.5686       80.23344 185.9418       109.5886 277.8137       117.7891 78.54214 22.58644 95.21349 21.59260 -16.67134      31.24720 
1 1 1 -4  15 12 o 611.3399 9.861030 10971.79       353.5538 11105.46       566.4241 10886.46       452.5338 614.3163 15.73464 608.7338 12.67573 5.582458       20.20527 
1 1 1 -4  15 13 o 328.6584 7.156489 3169.444       137.9416 3136.187       195.4831 3202.427       194.6772 326.6641 10.21625 330.1098 10.06732 -3.445709      14.34304 
1 1 1 -4  15 14 f 910.2129 12.62685 24344.98       674.0443 25676.26       1014.812 23294.01       901.6719 933.6501 18.53322 889.5425 17.28348 44.10760       25.34164 
1 1 1 -4  15 15 o 138.3207 12.06369 566.4241       96.88469 642.0177       122.9086 442.3708       157.4504 147.0524 14.43738 120.3889 23.14059 26.66354       27.27498 
1 1 1 -4  15 16 o 460.1297 7.514230 6213.825       202.7754 6445.375       300.7809 6020.906       274.5466 468.3955 10.94932 452.7547 10.33957 15.64081       15.05969 
1 1 1 -4  15 17 o 490.2920 7.759922 7056.477       223.1324 7161.358       322.2784 6959.910       309.2391 493.6473 11.13176 486.6824 10.83424 6.964874       15.53373 
1 1 1 -4  15 18 o 121.9772 10.48081 440.4454       74.25014 432.1320       110.9343 447.1920       99.93592 120.0207 16.17120 122.4402 14.17880 -2.419563      21.50688 
1 1 1 -4  15 19 o 238.9204 6.465747 1676.679       90.51554 1705.667       130.5594 1649.851       125.6011 240.7696 9.263329 236.8090 9.060383 3.960526       12.95761 
1 1 1 -4  15 20 o 290.5108 6.281839 2477.300       107.0286 2635.996       160.4861 2350.181       143.6345 299.3651 9.151576 282.6992 8.673570 16.66589       12.60881 
1 1 1 -4  15 21 o 495.1727 7.592625 7202.048       220.4952 7262.035       314.8361 7144.300       308.9032 496.8077 10.80552 492.7818 10.68851 4.025848       15.19880 
1 1 1 -4  15 22 o 190.8979 6.750918 1071.547       75.46236 974.0001       105.5085 1173.707       107.9740 181.6877 9.939597 199.5721 9.250216 -17.88438      13.57800 
1 1 1 -4  15 23 o 166.2044 7.218269 813.1086       70.19229 910.8582       104.4240 732.5375       94.80538 175.6189 10.18228 157.4115 10.32644 18.20731       14.50222 
1 1 1 -4  15 24 o 168.7166 8.641802 839.3979       85.22429 903.1542       104.6019 713.5073       146.9856 174.8316 10.24654 154.2936 16.49919 20.53793       19.42201 
1 1 1 -4  15 25 o 295.0971 6.185658 2557.919       107.0536 2437.282       146.5999 2695.747       156.6974 287.6862 8.698881 302.5484 8.840611 -14.86215      12.40270 
1 1 1 -4  15 26 o 309.0435 6.438612 2806.249       116.6977 2741.193       160.9573 2878.344       169.4404 305.0182 9.007624 312.5212 9.254770 -7.502960      12.91465 
1 1 1 -4  15 27 o 420.5952 7.180675 5200.949       177.1251 5108.368       245.5850 5301.318       255.7070 416.3133 10.05845 424.0542 10.28184 -7.740906      14.38362 
1 1 1 -4  15 28 o 419.5052 7.268967 5174.547       178.8383 5195.163       252.0622 5153.650       253.7778 419.7815 10.23844 418.0764 10.35017 1.705109       14.55856 
1 1 1 -4  15 29 o 304.5710 6.271379 2725.617       112.0217 2753.412       125.3069 2614.994       249.9868 306.0470 6.981304 296.7243 14.40833 9.322693       16.01058 
1 1 1 -4  15 30 o 135.0664 10.47747 541.0968       82.34686 521.3212       88.20403 675.3366       229.8078 132.4086 11.47158 146.7684 27.71373 -14.35983      29.99414 
1 1 1 -4  15 31 o 479.8271 7.346193 6770.657       206.7272 6901.287       243.3179 6431.650       391.9748 484.1848 8.568651 465.5719 14.37280 18.61295       16.73318 
1 1 1 -4  15 32 o 50.77504 18.69231 61.85624       73.23737 79.42073       78.87197 -48.06490      197.3084 55.02752 19.51215 62.11329 27.47394 -7.085766      33.69780 
1 1 1 -4  15 33 o 113.5395 11.58458 385.1634       76.05997 356.1316       81.67535 574.7812       208.7341 108.8499 13.05429 134.5940 27.37652 -25.74409      30.32966 
1 1 1 -4  15 34 o 263.5413 9.581296 2053.302       147.8427 2035.028       182.1069 2088.634       253.2109 261.7920 11.89201 263.7423 16.45206 -1.950317      20.30000 
1 1 1 -4  15 35 o 36.03671 16.23872 -34.73940      72.38678 77.53880       107.0594 -129.2962      98.24796 58.80814 22.40077 35.28329 16.86325 23.52486       28.03861 
1 1 1 -4  15 36 o 191.5639 8.374530 1084.865       93.85856 1160.843       131.1547 1005.109       134.3760 197.5100 11.37061 183.4353 12.56665 14.07472       16.94732 
1 1 1 -4  15 37 o 259.4817 9.127515 1993.669       138.6861 2004.901       161.9094 1962.721       268.7516 259.7601 10.65053 253.8641 18.17109 5.896042       21.06234 
1 1 1 -4  15 38 o 54.11795 19.93342 74.32365       83.30392 190.8613       125.3437 -17.87464      111.4887 77.80371 24.56335 47.41810 20.82525 30.38561       32.20325 
1 1 1 -4  15 39 o 192.8026 8.535391 1104.025       96.27402 1183.977       138.3159 1028.886       134.0866 198.4948 11.93669 184.7947 12.44473 13.70013       17.24400 
1 1 1 -4  15 40 o 219.6869 8.155456 1433.800       104.8935 1388.842       147.2574 1480.108       149.4504 214.7274 11.73800 221.7917 11.52908 -7.064331      16.45297 
1 1 1 -4  15 41 o 138.2666 11.80910 579.9248       94.84431 614.1002       134.1713 545.7913       134.0890 140.0898 16.65634 131.3625 17.86761 8.727219       24.42714 
1 1 1 -4  15 42 o 144.2542 11.42090 631.1733       95.83477 820.8767       141.7326 471.3860       130.0778 162.7558 15.01777 121.0168 18.94902 41.73906       24.17847 
1 1 1 -4  15 43 o 95.29821 17.80146 294.4859       95.83492 234.6143       144.5198 341.4777       128.0348 81.86388 26.43342 100.2916 22.34043 -18.42776      34.60954 
1 1 1 -4  15 44 o 102.7691 16.51849 338.7655       96.18664 264.5119       141.0279 403.3498       131.5256 86.06844 25.86113 109.4959 21.24809 -23.42746      33.47058 
1 1 1 -4  15 45 o 81.42864 19.50626 223.5528       91.92870 216.9926       133.9762 229.3893       126.3705 78.10687 25.46869 80.31366 24.55397 -2.206787      35.37727 
1 1 1 -4  15 46 o 82.84920 21.19973 238.1638       103.4209 294.7135       150.8188 187.9707       142.0897 88.78738 26.75847 73.21149 26.16509 15.57589       37.42496 
1 1 1 -4  15 47 o 133.2243 15.89281 570.4890       121.7292 504.4799       195.3232 612.4089       155.6546 113.8631 29.13342 134.5275 20.36516 -20.66441      35.54569 
1 1 1 -4  15 48 o 91.24642 23.24527 301.4662       124.7247 302.7889       213.7477 300.7834       153.5824 85.58066 31.85492 88.26525 27.08472 -2.684593      41.81289 
1 1 1 -4  15 49 o 76.29785 24.82408 216.0283       127.3165 348.8879       204.0144 131.2828       162.9381 90.71943 31.44009 65.89233 26.82672 24.82710       41.32980 
1 1 1 -4  16 1  o 554.8193 10.02063 9035.598       326.0598 9027.989       457.9642 9043.420       464.3381 554.1364 14.10319 554.5909 14.28805 -0.4545288     20.07607 
1 1 1 -4  16 2  o 543.7067 9.887760 8677.071       315.2921 8195.273       410.8946 9366.952       491.6827 528.0237 13.27918 564.3665 14.86797 -36.34277      19.93472 
1 1 1 -4  16 3  o 1110.584 18.79281 36295.93       1224.035 36522.34       1744.325 36076.29       1718.067 1112.033 26.74602 1105.292 26.50406 6.740601       37.65388 
1 1 1 -4  16 4  o 743.0527 10.64047 16208.98       463.6933 16061.27       562.6453 16521.69       818.6685 739.4539 12.97397 749.3036 18.62944 -9.849670      22.70198 
1 1 1 -4  16 5  o 395.0147 7.993866 4578.579       185.1913 4676.850       261.1124 4479.113       262.6950 398.9515 11.17080 390.3966 11.48597 8.554901       16.02231 
1 1 1 -4  16 6  o 362.4337 7.799055 3854.357       165.7757 4072.941       237.5154 3646.730       231.4855 372.2987 10.88972 352.2399 11.21990 20.05881       15.63561 
1 1 1 -4  16 7  o 516.7102 9.681403 7836.925       293.3836 8326.210       439.1261 7442.437       394.2987 532.1164 14.08361 503.1342 13.37446 28.98221       19.42227 
1 1 1 -4  16 8  o 180.0255 8.480666 953.2067       89.28774 994.0806       120.7117 903.8268       132.6788 183.6500 11.26163 174.9201 13.02689 8.729874       17.21988 
1 1 1 -4  16 9  o 550.3846 9.260983 8891.349       298.9330 9226.959       483.5624 8683.762       380.3076 560.0743 14.73444 543.7509 11.92572 16.32343       18.95591 
1 1 1 -4  16 10 o 356.4988 7.826333 3729.432       163.6315 4113.419       253.7968 3456.265       214.0634 374.0669 11.58271 342.9265 10.65659 31.14038       15.73918 
1 1 1 -4  16 11 o 495.2468 8.672293 7198.738       251.8872 6694.738       357.8162 7693.857       354.6496 477.1714 12.79756 511.7970 11.81548 -34.62558      17.41790 
1 1 1 -4  16 12 o 669.0221 10.64185 13143.85       417.5496 13318.68       668.8475 13032.19       534.4984 672.5041 16.97183 665.8633 13.68708 6.640808       21.80320 
1 1 1 -4  16 13 o 465.2103 8.190091 6351.975       223.4542 6211.527       340.9672 6457.707       295.8397 459.5788 12.66241 468.9136 10.75754 -9.334839      16.61509 
1 1 1 -4  16 14 o 339.9724 12.83748 3402.057       255.5012 3636.229       429.1867 3273.510       317.9883 350.4259 20.97937 333.0872 16.32782 17.33871       26.58442 
1 1 1 -4  16 15 o 379.6720 7.090400 4230.418       157.8810 4169.872       222.3272 4292.012       224.2399 376.6586 10.07359 382.1442 10.01404 -5.485626      14.20416 
1 1 1 -4  16 16 o 392.7987 7.169022 4528.545       165.1507 4554.886       237.6602 4503.948       229.6618 393.6132 10.30410 391.4327 10.01239 2.180481       14.36741 
1 1 1 -4  16 17 o 273.0563 6.791654 2188.396       108.7623 2045.261       149.5326 2349.179       158.4835 263.6729 9.686315 282.6193 9.575454 -18.94644      13.62035 
1 1 1 -4  16 18 o 186.3329 7.672041 1021.187       83.66064 988.3431       120.6658 1051.589       116.0946 182.9804 11.29934 188.8454 10.52389 -5.865051      15.44109 
1 1 1 -4  16 19 o 302.7590 6.344164 2690.637       112.6476 2775.192       164.3247 2615.675       154.7240 307.1777 9.131562 298.2377 8.855760 8.940002       12.72045 
1 1 1 -4  16 20 o 334.3139 6.465719 3281.320       126.7716 3229.463       179.8565 3332.519       178.7130 331.3249 9.265060 336.5973 9.061296 -5.272400      12.95949 
1 1 1 -4  16 21 o 446.9257 7.123082 5866.831       186.7041 6085.345       274.6845 5679.187       254.5431 454.7664 10.29901 439.3882 9.877852 15.37823       14.27030 
1 1 1 -4  16 22 f 69.05452 18.85359 146.1753       78.48359 175.8574       95.53133 84.54431       137.6569 75.67938 20.85630 65.31523 25.26687 10.36415       32.76278 
1 1 1 -4  16 23 o 346.4406 6.545121 3525.450       132.9833 3752.045       199.5913 3344.555       178.3327 356.9345 9.543164 337.0580 9.029571 19.87650       13.13793 
1 1 1 -4  16 24 f 506.2950 7.786705 7536.455       231.2107 7516.733       325.7722 7556.473       328.2039 504.9739 11.00004 506.2943 11.05326 -1.320343      15.59408 
1 1 1 -4  16 25 o 139.1327 8.207757 571.4232       66.67616 604.0162       98.86469 544.2299       90.30435 142.5509 11.93498 135.3322 11.48617 7.218735       16.56430 
1 1 1 -4  16 26 o 437.6039 7.248927 5630.154       186.0396 5503.136       256.3343 5771.526       270.4308 432.1046 10.11503 442.4470 10.42184 -10.34238      14.52338 
1 1 1 -4  16 27 o 293.1348 6.746492 2525.617       115.9834 2448.264       162.6305 2605.681       165.4567 288.1034 9.638624 297.2551 9.503048 -9.151672      13.53555 
1 1 1 -4  16 28 o 231.0622 7.219660 1571.279       97.71537 1412.433       136.8041 1736.730       139.6197 218.5729 10.70472 242.5688 9.834738 -23.99586      14.53661 
1 1 1 -4  16 29 o 410.9066 7.447166 4965.055       179.4671 5065.662       256.9788 4869.271       250.7455 414.3252 10.58427 406.2212 10.53384 8.104034       14.93280 
1 1 1 -4  16 30 o 252.3893 7.087176 1874.276       104.8008 1832.048       115.0826 2079.421       253.6546 249.4280 7.876960 263.9491 16.46801 -14.52109      18.25492 
1 1 1 -4  16 31 o 171.5968 8.497050 869.0328       85.24617 898.8416       92.68758 705.4344       217.1399 174.4420 9.091201 150.5360 25.50476 23.90604       27.07661 
1 1 1 -4  16 32 o 335.9950 6.600673 3319.412       130.0683 3384.336       147.5682 3093.345       275.3650 339.1443 7.419211 322.3430 14.60392 16.80130       16.38045 
1 1 1 -4  16 33 o 288.5504 6.694778 2449.299       113.2944 2513.306       126.5755 2191.408       254.0696 292.1022 7.394580 270.4470 16.09118 21.65524       17.70892 
1 1 1 -4  16 34 o 204.1141 7.677245 1229.104       91.73906 1203.533       98.70978 1391.208       248.5345 201.8643 8.355840 213.5905 20.07596 -11.72623      21.74545 
1 1 1 -4  16 35 o 38.01700 16.90402 -25.52311      75.66964 21.34073       80.53795 -378.3817      220.9947 45.38638 18.71187 48.60172 23.71749 -3.215343      30.21016 
1 1 1 -4  16 36 o 286.2115 7.686739 2417.409       128.9099 2530.131       182.2805 2304.623       182.3318 291.9665 10.66318 278.4640 11.18736 13.50247       15.45512 
1 1 1 -4  16 37 o 125.3541 12.27650 472.7191       89.09751 438.3889       130.3445 502.8280       122.0682 118.4611 19.43480 128.0220 16.65225 -9.560837      25.59314 
1 1 1 -4  16 38 o 219.4028 8.295437 1426.755       106.5489 1552.032       152.3831 1306.918       149.0383 227.7684 11.44423 208.6643 12.23230 19.10411       16.75111 
1 1 1 -4  16 39 o 134.8665 11.56187 548.7791       90.56834 613.0470       133.4847 493.9547       123.2880 140.6523 16.49513 125.7996 17.15724 14.85272       23.80042 
1 1 1 -4  16 40 o 51.81139 19.84667 63.77929       84.34460 -13.26676      128.4735 122.1417       111.8163 50.51594 22.26430 64.56670 23.19491 -14.05077      32.15125 
1 1 1 -4  16 41 o 250.2396 8.062801 1862.719       118.1749 2090.108       167.3684 1636.649       166.8818 263.5890 10.84988 232.3612 12.28972 31.22775       16.39381 
1 1 1 -4  16 42 o 77.85349 20.02190 201.1464       91.92986 169.6441       132.1660 230.6725       127.9533 72.31406 25.29032 81.94868 24.63543 -9.634628      35.30587 
1 1 1 -4  16 43 o 56.51076 20.72466 91.97127       89.89022 183.3843       136.4613 21.90115       119.4736 73.87956 25.70713 51.45337 22.07967 22.42619       33.88758 
1 1 1 -4  16 44 o 114.4949 14.82510 413.3959       97.21368 434.6610       150.9353 398.3208       127.0830 111.7610 23.76007 108.9705 20.64054 2.790497       31.47337 
1 1 1 -4  16 45 o 53.53791 20.99525 72.15089       96.08150 113.0066       144.4857 39.76081       128.6485 64.02304 25.54302 54.10169 23.05595 9.921352       34.40963 
1 1 1 -4  16 46 o 73.63374 22.38596 190.5132       105.2346 162.5604       161.0449 211.3433       139.0208 70.37753 27.30070 76.35609 25.97061 -5.978554      37.68024 
1 1 1 -4  16 47 o 179.5476 12.25757 998.6188       128.2985 1077.713       204.8603 947.5771       164.5689 179.1876 19.82512 171.1588 16.60280 8.028809       25.85901 
1 1 1 -4  16 48 o 49.43657 21.79319 9.137849       123.1553 -143.7223      204.4096 96.24561       154.3059 51.30371 24.46584 61.80295 25.72760 -10.49924      35.50333 
1 1 1 -4  17 1  o 918.1425 15.71840 24783.55       846.3871 24090.23       1148.216 25608.55       1252.518 904.1617 21.65344 931.9460 22.91621 -27.78430      31.52815 
1 1 1 -4  17 2  o 822.9634 14.24134 19902.50       687.3562 18619.72       879.2788 21918.18       1102.203 795.3637 18.84995 862.1250 21.81674 -66.76129      28.83211 
1 1 1 -4  17 3  o 550.0626 8.441757 8879.180       272.3300 8947.703       338.8927 8754.268       457.5541 552.0690 10.46691 545.6074 14.31156 6.461609       17.73067 
1 1 1 -4  17 4  o 727.9700 10.55309 15558.43       450.5508 15836.38       566.2497 15078.83       743.8225 734.2017 13.15049 715.8860 17.71638 18.31567       22.06367 
1 1 1 -4  17 5  o 530.0499 9.996567 8247.565       310.7550 8341.319       438.9327 8153.348       440.0172 532.5865 14.06493 526.5259 14.26263 6.060547       20.03110 
1 1 1 -4  17 6  o 1034.403 17.64074 31484.20       1070.181 32084.70       1550.932 30938.42       1478.588 1042.313 25.37139 1023.734 24.62689 18.57922       35.35804 
1 1 1 -4  17 7  o 391.8947 8.470321 4507.243       194.6793 4604.617       272.6198 4405.917       278.0982 395.7832 11.75794 387.0997 12.26516 8.683502       16.99068 
1 1 1 -4  17 8  o 599.0834 10.04466 10536.68       352.9172 11057.95       574.7524 10221.19       447.1382 612.9649 16.00170 589.8199 12.92623 23.14496       20.57041 
1 1 1 -4  17 9  o 454.2394 8.301424 6055.506       221.1505 5960.975       332.3780 6130.599       296.2404 450.2616 12.59923 456.9008 11.05533 -6.639130      16.76189 
1 1 1 -4  17 10 o 34.46522 16.24829 -96.03403      85.27721 9.037609       113.6793 -231.2548      128.9615 52.05899 21.90462 37.54233 18.27541 14.51666       28.52724 
1 1 1 -4  17 11 o 401.3212 7.847785 4726.688       184.7097 4863.059       286.0704 4629.187       241.8905 406.6721 12.00754 396.9030 10.40060 9.769043       15.88563 
1 1 1 -4  17 12 o 636.9181 10.36197 11913.35       387.0582 12385.97       632.4758 11630.37       489.4028 648.4565 16.64454 629.0094 13.26658 19.44714       21.28480 
1 1 1 -4  17 13 o 786.7501 12.25294 18191.53       565.3634 18291.77       899.8135 18126.15       726.7241 787.5667 19.48115 784.7540 15.79012 2.812744       25.07675 
1 1 1 -4  17 14 o 701.1281 11.18470 14444.91       459.9094 14846.21       746.5606 14199.47       583.8512 709.4198 17.95811 694.6850 14.33058 14.73480       22.97518 
1 1 1 -4  17 15 o 220.0417 9.091390 1424.399       117.0710 1477.820       151.7198 1345.783       184.0518 223.9157 11.59281 213.2891 14.80557 10.62660       18.80420 
1 1 1 -4  17 16 o 534.4537 8.367132 8388.116       262.2631 8651.262       385.4772 8161.333       357.8536 542.3450 12.11916 526.8331 11.58195 15.51190       16.76352 
1 1 1 -4  17 17 o 70.25071 24.77098 128.8715       126.9711 217.2944       300.7662 109.6954       140.0640 98.96352 37.58163 69.23300 25.78313 29.73051       45.57575 
1 1 1 -4  17 18 o 351.3994 6.720182 3625.124       138.4945 3626.293       197.6324 3623.997       194.1361 351.1149 9.606534 351.0224 9.438766 0.9249878E-01  13.46758 
1 1 1 -4  17 19 o 134.0200 8.750211 530.0868       68.40015 510.8318       94.77512 551.0189       98.81623 131.1094 12.47584 136.2085 12.50971 -5.099091      17.66747 
1 1 1 -4  17 20 o 645.4304 9.273121 12249.67       351.0151 12851.23       524.6406 11762.16       472.2961 660.0502 13.55297 631.6782 12.74876 28.37201       18.60682 
1 1 1 -4  17 21 o 319.1457 6.503566 2991.285       121.7282 2986.054       175.2296 2996.164       169.2265 318.4673 9.392188 319.0518 9.053073 -0.5844727     13.04497 
1 1 1 -4  17 22 o 316.1144 6.382240 2934.968       118.3227 2995.281       171.4693 2880.141       163.4833 318.9436 9.176427 312.7838 8.921183 6.159760       12.79821 
1 1 1 -4  17 23 o 277.9049 6.420638 2268.701       104.6465 2192.203       148.0451 2345.091       147.9401 272.7641 9.268030 282.1705 8.951039 -9.406403      12.88478 
1 1 1 -4  17 24 o 25.20963 12.22228 -94.33237      56.14012 -86.39487      87.80250 -99.82143      73.01527 35.78433 16.74854 30.35326 14.51526 5.431072       22.16318 
1 1 1 -4  17 25 o 284.4594 6.522123 2377.785       108.8078 2230.077       150.4319 2539.846       157.5710 275.0233 9.340079 293.5528 9.163721 -18.52948      13.08476 
1 1 1 -4  17 26 o 262.1988 6.743306 2021.969       103.6081 2081.348       148.4160 1965.525       144.7025 265.6310 9.542399 258.1193 9.575432 7.511688       13.51837 
1 1 1 -4  17 27 o 252.5931 8.274372 1879.505       122.4110 1970.236       150.3511 1701.108       210.8248 258.3671 9.940994 238.9997 15.11837 19.36739       18.09388 
1 1 1 -4  17 28 o 431.0832 7.537953 5465.024       190.5746 5517.228       270.7004 5413.726       268.3415 432.5137 10.67182 428.4358 10.67951 4.077911       15.09767 
1 1 1 -4  17 29 o 358.0420 7.431335 3769.783       156.0455 3896.955       224.1262 3650.138       217.3913 363.3653 10.52827 351.6549 10.55277 11.71039       14.90656 
1 1 1 -4  17 30 o 136.0845 14.17671 554.6938       111.4879 584.1972       127.5717 459.3191       229.3694 139.3298 15.89610 119.7468 32.03483 19.58298       35.76194 
1 1 1 -4  17 31 o 322.2011 6.609777 3052.199       124.9006 3018.962       137.6774 3206.753       296.8839 320.3460 7.328124 327.9907 15.47752 -7.644684      17.12469 
1 1 1 -4  17 32 o 184.8082 7.913414 1007.534       85.57147 1023.418       92.54516 913.8948       224.6980 186.1774 8.498122 172.2393 22.80392 13.93806       24.33592 
1 1 1 -4  17 33 o 235.3221 7.124135 1631.602       98.20757 1617.436       106.9621 1707.667       247.8576 234.1870 7.798709 237.8103 17.90283 -3.623245      19.52770 
1 1 1 -4  17 34 o 213.4388 7.559208 1343.901       94.47433 1366.035       102.9325 1225.584       237.9839 215.0831 8.174985 199.9946 20.58342 15.08846       22.14740 
1 1 1 -4  17 35 o 244.8395 9.819712 1775.965       140.7177 1816.807       167.8463 1679.353       258.1514 247.1446 11.61252 234.8579 18.90163 12.28673       22.18383 
1 1 1 -4  17 36 o 277.3860 7.349357 2270.479       119.4543 2231.720       130.0258 2480.185       302.4435 274.8279 8.075872 285.4605 18.15955 -10.63260      19.87433 
1 1 1 -4  17 37 o 167.4383 9.729507 834.3795       95.13083 898.8484       133.6280 768.1293       135.4613 172.7340 13.29291 159.1314 14.68011 13.60260       19.80422 
1 1 1 -4  17 38 o 99.64993 15.08849 307.1397       85.42424 392.1809       125.6002 233.9429       116.5257 110.9240 20.04453 84.55761 22.92593 26.36637       30.45294 
1 1 1 -4  17 39 o 146.0849 10.85640 642.1266       92.34772 698.6218       134.8413 592.2204       126.7342 150.4924 15.49907 138.2589 15.91998 12.23360       22.21861 
1 1 1 -4  17 40 o 169.8711 10.20461 866.5399       101.1951 854.5507       145.4655 877.7831       140.8682 166.4178 15.06733 169.0692 14.34206 -2.651337      20.80190 
1 1 1 -4  17 41 o 115.2964 14.40641 412.7356       95.29414 487.2410       141.6974 351.2124       128.7619 122.2215 20.49275 102.5725 22.06015 19.64904       30.10985 
1 1 1 -4  17 42 o 49.97195 20.14320 48.75241       90.82372 82.01907       139.7087 24.40235       119.5278 61.13474 24.85910 51.87943 22.16953 9.255310       33.30861 
1 1 1 -4  17 43 o 176.7691 10.13130 944.1968       104.5922 990.5641       153.0356 903.5541       143.2776 178.1690 14.77853 170.3235 14.48060 7.845505       20.69040 
1 1 1 -4  17 44 o 115.1000 14.89289 418.9512       98.17776 721.0842       152.7032 206.0603       128.1822 149.3188 17.78670 76.52589 24.90904 72.79291       30.60763 
1 1 1 -4  17 45 o 85.46338 20.42685 250.3135       100.9883 132.9913       151.2851 344.6132       135.6317 66.66765 26.28401 98.34695 23.77929 -31.67931      35.44437 
1 1 1 -4  17 46 o 104.8025 18.41677 365.6221       109.0680 470.3976       167.4070 288.3470       143.7684 113.1100 25.80797 87.86238 26.04246 25.24765       36.66417 
1 1 1 -4  17 47 o 148.5154 14.10018 697.7408       121.3424 486.7137       188.9938 845.7382       158.2725 111.3455 28.74539 161.0405 17.01488 -49.69497      33.40364 
1 1 1 -4  17 48 o 102.4887 21.88029 371.2072       127.5134 208.0566       214.6043 460.2403       158.5331 75.74447 30.80627 111.7717 24.82995 -36.02727      39.56707 
1 1 1 -4  18 1  o 539.4607 10.13305 8543.573       320.5906 7944.746       407.6196 9514.714       519.0933 519.8184 13.38179 568.6387 15.58002 -48.82031      20.53800 
1 1 1 -4  18 2  o 474.4989 10.13894 6609.875       282.1487 6660.934       423.9330 6569.274       378.0365 475.7429 15.21364 472.6215 13.65291 3.121399       20.44155 
1 1 1 -4  18 3  o 196.4574 9.166144 1135.305       105.3190 1023.801       125.2493 1404.454       194.5922 186.3578 11.51606 218.0254 15.31580 -31.66765      19.16229 
1 1 1 -4  18 4  o 645.2234 9.789798 12221.36       370.4541 12842.89       484.3832 11345.56       574.9953 661.1979 12.49128 620.9265 15.80253 40.27148       20.14329 
1 1 1 -4  18 5  o 333.9973 7.691976 3273.465       150.6716 3129.851       181.5661 3591.100       270.0234 326.3917 9.495262 349.3434 13.20324 -22.95166      16.26302 
1 1 1 -4  18 6  o 960.6536 13.58806 27121.58       765.5522 27708.71       969.2668 26147.92       1248.188 970.3839 17.03135 941.4147 22.60729 28.96924       28.30471 
1 1 1 -4  18 7  o 943.6321 16.21226 26195.81       897.2156 26561.62       1289.091 25852.10       1249.542 948.6008 23.17126 935.9527 22.76389 12.64807       32.48233 
1 1 1 -4  18 8  o 112.2262 14.34610 376.2769       92.26703 570.7605       121.3747 110.0318       142.0129 138.4869 15.19324 69.77785 25.96657 68.70904       30.08483 
1 1 1 -4  18 9  o 688.5913 10.85442 13925.87       438.3478 14237.16       711.8239 13735.71       556.3530 695.1647 17.47345 683.5350 13.87839 11.62970       22.31437 
1 1 1 -4  18 10 o 401.5155 8.534613 4732.199       200.9725 4949.979       287.9915 4525.470       280.5891 410.2763 11.98170 392.2517 12.21195 18.02457       17.10826 
1 1 1 -4  18 11 o 263.9402 7.623330 2046.276       117.8815 2156.633       171.7517 1947.989       162.0870 270.7429 10.83857 257.2974 10.76522 13.44553       15.27627 
1 1 1 -4  18 12 o 422.9072 7.849680 5249.752       194.6917 5189.263       290.9581 5298.795       261.9866 420.0360 11.82294 424.7115 10.51803 -4.675537      15.82438 
1 1 1 -4  18 13 o 871.2218 13.42058 22328.24       685.7258 23304.23       1148.855 21788.10       854.6653 887.6696 22.06803 859.8105 16.94895 27.85907       27.82561 
1 1 1 -4  18 14 o 471.4277 8.375573 6525.925       231.5688 6617.269       362.1552 6462.749       301.1852 474.0794 13.03784 468.9138 10.95191 5.165558       17.02732 
1 1 1 -4  18 15 o 392.0523 8.644397 4514.406       198.7601 4500.802       268.3253 4530.945       295.8670 391.0272 11.71370 392.1798 12.88102 -1.152679      17.41068 
1 1 1 -4  18 16 o 661.4756 10.38734 12863.20       402.9664 13438.03       680.1128 12552.24       500.2246 674.3914 17.20970 652.9507 13.06273 21.44067       21.60576 
1 1 1 -4  18 17 o 444.7910 7.528626 5810.013       196.3913 5777.811       280.6794 5840.899       274.8896 443.2094 10.79819 445.6574 10.51736 -2.447968      15.07368 
1 1 1 -4  18 18 o 624.7070 9.137369 11471.84       334.7712 11821.94       492.2729 11170.62       456.6117 633.3167 13.25362 615.7649 12.64392 17.55176       18.31740 
1 1 1 -4  18 19 o 343.1553 8.014615 3460.290       161.2961 3456.457       219.7286 3464.770       237.5236 342.4812 10.95363 342.7529 11.83388 -0.2716675     16.12522 
1 1 1 -4  18 20 o 247.3091 6.616151 1797.609       95.87508 1791.926       138.2571 1802.873       133.0674 246.6089 9.577557 247.4093 9.186712 -0.8004150     13.27122 
1 1 1 -4  18 21 o 189.3181 7.501197 1054.968       83.12136 1237.713       130.5068 930.2397       107.8187 204.6824 10.91124 177.4315 10.40696 27.25089       15.07846 
1 1 1 -4  18 22 o 333.2145 6.523080 3261.779       127.4756 3510.844       192.4934 3067.230       170.1269 345.2209 9.516618 322.7373 8.996990 22.48361       13.09625 
1 1 1 -4  18 23 o 202.0871 6.904303 1201.615       81.70916 1182.228       115.8272 1220.820       115.2832 200.0907 9.901111 203.3670 9.693640 -3.276291      13.85636 
1 1 1 -4  18 24 o 195.6308 7.260391 1126.708       83.15601 1006.894       118.3097 1243.692       116.9036 184.4350 10.98752 205.2367 9.740102 -20.80177      14.68316 
1 1 1 -4  18 25 o 308.6163 6.702450 2799.326       121.3118 2791.377       174.8138 2806.709       168.4828 307.6420 9.701139 308.5546 9.321188 -0.9125977     13.45350 
1 1 1 -4  18 26 o 111.0414 11.08160 367.3895       71.20419 373.2209       109.6751 363.1407       93.61661 110.6700 17.47719 109.6836 14.94135 0.9863892      22.99340 
1 1 1 -4  18 27 f 129.1944 14.01534 499.9424       104.4943 573.2007       120.9375 284.1476       207.5643 138.2062 15.16950 97.12624 31.70271 41.07998       35.14507 
1 1 1 -4  18 28 o 161.4009 9.922324 770.5609       93.46858 776.4039       143.5044 766.2557       123.1802 161.0479 15.38016 160.4132 13.21031 0.6347504      20.27465 
1 1 1 -4  18 29 o 174.7937 9.152058 902.3453       93.49307 800.2327       137.5138 990.1172       127.4925 163.6692 14.47521 182.6758 11.96604 -19.00662      18.78078 
1 1 1 -4  18 30 o 71.53016 18.23146 158.7383       76.69682 39.42805       122.6857 235.2790       98.26556 56.80828 23.22161 86.93015 19.72795 -30.12188      30.47023 
1 1 1 -4  18 31 o 242.8214 7.002535 1735.872       99.61824 1834.851       108.9966 1233.824       245.4794 249.5886 7.454607 201.2567 21.11151 48.33192       22.38899 
1 1 1 -4  18 32 o 484.3253 7.518058 6907.116       213.5470 6892.175       245.5354 6953.510       432.6788 483.4744 8.659447 482.5874 15.30695 0.8870544      17.58661 
1 1 1 -4  18 33 o 163.3763 9.154938 790.4288       87.36840 772.3969       93.84588 907.6892       239.3153 161.3499 9.965997 170.3008 24.67928 -8.950912      26.61556 
1 1 1 -4  18 34 o 266.9086 6.991788 2099.401       109.3521 2164.595       120.1122 1783.662       264.3310 270.9099 7.567242 242.2702 18.74943 28.63960       20.21891 
1 1 1 -4  18 35 o 60.63134 20.24585 107.2022       84.49368 104.9817       89.96426 123.8131       246.0548 60.78533 20.88625 81.22156 33.00404 -20.43623      39.05767 
1 1 1 -4  18 36 o 50.20988 19.45075 52.55851       81.66269 66.68318       86.32038 -67.83138      252.0108 53.37597 20.16445 67.50603 30.36964 -14.13007      36.45436 
1 1 1 -4  18 37 o 91.51166 16.27855 261.3788       84.16389 266.9494       89.71935 220.5311       242.9533 92.20074 17.22534 87.88557 33.67907 4.315170       37.82845 
1 1 1 -4  18 38 o 170.4200 9.483823 866.9435       94.41441 1006.829       138.3749 745.0936       129.1465 182.3133 13.02746 156.2001 14.25471 26.11320       19.31092 
1 1 1 -4  18 39 o 128.9401 12.58445 506.3754       93.95419 434.1938       136.7092 570.9845       129.3395 115.6136 20.93267 135.1890 16.66560 -19.57534      26.75666 
1 1 1 -4  18 40 o 114.4143 14.80531 406.8949       97.01861 490.3329       140.3955 330.6328       134.2226 123.0398 20.15326 98.96870 23.48072 24.07106       30.94347 
1 1 1 -4  18 41 o 68.48567 21.15443 154.1660       93.50269 209.6779       138.1760 107.2738       126.9959 78.51752 25.87968 63.10892 24.30713 15.40860       35.50486 
1 1 1 -4  18 42 o 150.7314 11.65520 693.2749       102.2326 556.2437       143.3985 834.9124       145.7887 130.5865 19.30495 163.2044 15.41407 -32.61783      24.70374 
1 1 1 -4  18 43 o 78.82742 19.67295 208.9822       90.65431 363.6748       142.1568 102.9556       117.6902 101.6969 24.18894 60.76085 23.40045 40.93602       33.65540 
1 1 1 -4  18 44 o 32.33900 15.61501 -122.6229      89.31168 -207.5700      141.8235 -66.79617      114.9727 39.20703 19.10350 42.12929 19.53133 -2.922256      27.32062 
1 1 1 -4  18 45 o 78.82702 21.55867 217.4158       102.5188 377.1558       153.5554 88.95421       137.7034 101.0736 25.81562 60.17908 24.60095 40.89456       35.66024 
1 1 1 -4  18 46 o 49.78364 21.35322 28.22204       111.6445 -18.04072      176.2286 59.23757       144.2947 55.10140 25.03255 57.45980 24.45004 -2.358395      34.99190 
1 1 1 -4  18 47 o 125.5665 16.96528 516.9250       121.7419 592.4928       202.9079 474.4212       152.1754 123.3587 28.60376 115.0508 23.35177 8.307907       36.92533 
1 1 1 -4  18 48 f 48.84367 21.65466 4.731848       123.2729 109.9602       198.4695 -61.36211      157.2926 66.08826 28.41035 49.02973 22.76975 17.05854       36.40892 
1 1 1 -4  19 1  o 686.3293 12.47253 13839.33       502.0390 13839.33       502.0390 0.000000       0.000000 686.3293 12.47253 ?        ?        0.000000       12.47253 
1 1 1 -4  19 2  o 665.8957 11.99955 13025.84       468.6209 12149.19       596.5230 14438.96       757.3663 642.6756 15.82650 699.9954 18.46459 -57.31982      24.31911 
1 1 1 -4  19 3  o 428.8816 9.614645 5400.040       241.8361 5400.040       241.8361 0.000000       0.000000 428.8816 9.614645 ?        ?        0.000000       9.614645 
1 1 1 -4  19 4  o 644.7509 9.732841 12204.68       368.0291 12686.99       472.9106 11464.01       586.0427 657.1346 12.27084 624.0359 16.02613 33.09863       20.18441 
1 1 1 -4  19 5  o 269.5346 7.722640 2133.736       121.9503 2116.327       150.9381 2166.464       206.9576 268.3147 9.607395 271.1991 13.05026 -2.884430      16.20528 
1 1 1 -4  19 6  o 247.8271 8.061280 1804.476       117.0106 1980.182       154.5655 1568.603       179.0846 259.4845 10.17639 230.6332 13.29630 28.85127       16.74367 
1 1 1 -4  19 7  o 75.71838 18.55559 175.6324       81.74576 102.8101       98.04312 341.7113       148.0616 62.52444 21.78790 105.4375 24.42405 -42.91305      32.72991 
1 1 1 -4  19 8  f 366.4372 7.706146 3940.803       165.6103 4205.106       254.1694 3745.808       218.3148 378.1597 11.47361 356.9793 10.43894 21.18039       15.51178 
1 1 1 -4  19 9  o 405.4722 7.888694 4825.568       187.5930 4985.936       288.4331 4708.000       246.9617 411.7329 11.95747 400.2185 10.53076 11.51437       15.93355 
1 1 1 -4  19 10 o 548.3920 9.283377 8830.910       298.5710 9017.368       471.5872 8706.169       385.7236 553.4044 14.54271 544.2429 12.08462 9.161499       18.90842 
1 1 1 -4  19 11 o 246.6566 7.752030 1787.677       112.0003 1722.916       152.1573 1864.260       165.4625 241.9124 10.75154 251.6137 11.24120 -9.701340      15.55507 
1 1 1 -4  19 12 o 238.3115 9.365681 1670.710       130.6437 1772.706       147.9285 1309.167       278.5090 245.4091 10.30095 209.0031 23.10684 36.40602       25.29893 
1 1 1 -4  19 13 o 446.3002 8.204219 5848.944       214.7409 5862.633       328.9259 5838.775       283.4927 446.2286 12.58125 445.6810 10.84594 0.5475464      16.61091 
1 1 1 -4  19 14 o 445.5163 9.158497 5831.321       239.2976 6155.068       346.6700 5536.664       330.7283 457.1059 12.94454 433.5039 13.02328 23.60199       18.36211 
1 1 1 -4  19 15 o 318.6793 7.194538 2981.823       134.4644 2855.741       195.5320 3094.945       185.2103 311.4443 10.72099 324.3501 9.747508 -12.90576      14.48977 
1 1 1 -4  19 16 o 187.3625 9.554046 1034.627       104.6368 1018.447       132.1572 1061.810       171.3021 185.5896 12.20972 189.0346 15.58997 -3.445038      19.80213 
1 1 1 -4  19 17 f 196.8348 7.978145 1140.162       91.90801 964.4695       132.3410 1303.842       127.7364 180.4943 12.58078 210.2672 10.39058 -29.77289      16.31687 
1 1 1 -4  19 18 o 387.4081 6.861917 4407.991       155.9066 4389.064       222.0197 4426.404       218.9823 386.1353 9.811907 387.9216 9.625305 -1.786255      13.74482 
1 1 1 -4  19 19 o 376.3993 6.866336 4161.669       151.5739 4451.875       229.4502 3936.972       201.8988 388.7872 10.07145 365.6987 9.421536 23.08853       13.79128 
1 1 1 -4  19 20 o 358.2632 6.738555 3770.561       141.5857 3940.322       210.1727 3629.505       191.5812 365.7425 9.807140 351.0892 9.312548 14.65329       13.52418 
1 1 1 -4  19 21 o 360.7563 6.737125 3823.761       142.5407 3898.093       205.9397 3755.402       197.4917 363.7469 9.662174 357.0608 9.439246 6.686096       13.50766 
1 1 1 -4  19 22 o 173.1672 7.614594 883.3991       77.14357 1105.822       120.1096 727.2175       100.6475 193.3956 10.63052 156.6540 11.02538 36.74159       15.31558 
1 1 1 -4  19 23 o 314.8397 6.630629 2912.974       122.4319 2970.391       178.0084 2861.430       168.6594 317.4143 9.573263 311.5905 9.239658 5.823822       13.30484 
1 1 1 -4  19 24 o 47.51422 17.64148 52.26716       65.47920 106.2316       100.0211 11.79380       86.62086 62.83260 21.99899 45.79989 19.18628 17.03271       29.19022 
1 1 1 -4  19 25 o 98.93862 12.66994 294.0106       71.83250 254.6938       111.4771 321.9265       93.93385 90.38311 21.36925 102.9153 16.08942 -12.53214      26.74910 
1 1 1 -4  19 26 o 230.4559 7.646795 1563.731       103.2086 1531.092       149.8152 1593.214       142.3861 227.4943 11.26387 232.2096 10.48234 -4.715317      15.38682 
1 1 1 -4  19 27 o 181.0091 11.66179 971.3225       123.1399 1084.959       148.3160 719.1901       220.9241 191.0425 13.32100 152.2092 25.66025 38.83325       28.91189 
1 1 1 -4  19 28 o 233.0470 8.347745 1600.459       113.9098 1418.548       159.3922 1790.347       162.8490 218.7040 12.47860 246.0104 11.31739 -27.30647      16.84633 
1 1 1 -4  19 29 o 454.1273 7.904478 6068.937       210.5238 5931.419       292.3838 6216.985       303.3715 448.1772 11.12379 458.7954 11.27471 -10.61816      15.83849 
1 1 1 -4  19 30 o 136.5073 11.00982 554.0669       87.39556 492.8445       134.9624 598.2781       114.6895 126.9996 18.67747 141.3006 14.02467 -14.30091      23.35678 
1 1 1 -4  19 31 o 324.7040 6.649988 3101.404       126.6365 3113.983       139.2124 3041.065       304.8947 325.2577 7.297934 318.6186 16.37144 6.639160       17.92440 
1 1 1 -4  19 32 o 314.6831 6.849113 2914.534       126.4033 2865.552       139.1352 3146.021       302.4713 311.8937 7.606414 323.9375 15.97031 -12.04379      17.68921 
1 1 1 -4  19 33 o 61.87977 19.21637 115.7857       77.03674 134.8921       81.63596 -39.59190      232.8015 66.18134 19.62617 67.50609 29.85187 -1.324753      35.72564 
1 1 1 -4  19 34 o 336.6505 6.941689 3338.380       137.0550 3267.999       150.7064 3674.916       329.5502 332.9061 7.718973 349.4326 16.12427 -16.52655      17.87665 
1 1 1 -4  19 35 o 122.4606 12.56437 451.6478       88.95932 427.7978       94.81138 627.1519       257.1933 118.8076 13.86759 136.2618 32.61776 -17.45424      35.44331 
1 1 1 -4  19 36 o 149.1728 13.75500 673.6030       118.9831 765.2899       134.9758 354.0127       251.9991 158.7499 14.66308 102.7554 34.96540 55.99451       37.91550 
1 1 1 -4  19 37 o 147.1121 10.36491 648.2429       88.85373 667.0457       94.61007 507.6786       258.6810 149.0776 10.89643 118.6253 34.87360 30.45228       36.53629 
1 1 1 -4  19 38 o 66.87820 22.94950 137.2344       108.6063 131.6810       119.8890 162.6424       256.4417 66.86298 24.01789 81.70081 33.50508 -14.83783      41.22438 
1 1 1 -4  19 39 o 64.10571 20.63424 130.2160       88.10940 17.25981       137.5330 208.8479       114.7497 54.80988 23.60701 79.09509 23.21994 -24.28520      33.11279 
1 1 1 -4  19 40 o 53.49363 20.14791 74.40105       86.03191 200.0523       124.7723 -39.47750      118.7835 77.14362 24.52616 45.91040 20.73442 31.23323       32.11618 
1 1 1 -4  19 41 o 114.9524 14.85032 414.2627       97.77923 343.0110       135.9400 490.6422       140.7467 99.77563 23.60291 122.0346 20.38395 -22.25902      31.18658 
1 1 1 -4  19 42 o 71.01197 21.74425 170.2455       99.05417 210.2529       147.1006 137.0547       133.9839 77.75594 26.70781 66.99699 25.16287 10.75894       36.69437 
1 1 1 -4  19 43 o 169.1063 11.08017 871.9615       109.2843 1027.741       168.0663 757.8440       143.8472 179.9619 16.09359 154.3494 16.12858 25.61252       22.78453 
1 1 1 -4  19 44 o 70.90907 22.74821 174.3830       107.1500 357.6249       179.1296 72.28674       133.7087 96.03133 29.20883 58.09615 24.04608 37.93518       37.83345 
1 1 1 -4  19 45 o 42.51664 19.22269 -28.09858      102.4221 -24.64875      158.4112 -30.57668      134.2599 52.39305 23.77501 48.20197 21.87893 4.191078       32.31004 
1 1 1 -4  19 46 o 63.30421 23.39867 131.2420       114.9566 385.6382       187.1075 -23.01222      145.6983 97.50854 29.89020 50.30594 22.81727 47.20259       37.60388 
1 1 1 -4  19 47 o 83.81812 24.18779 259.9311       125.4732 507.7089       200.5942 100.6752       160.8181 112.0370 29.95171 62.72656 26.20019 49.31041       39.79391 
1 1 1 -4  20 1  f 1204.990 20.44302 42822.08       1444.704 40694.91       1889.576 45815.20       2241.429 1171.985 27.49108 1241.921 30.77374 -69.93640      41.26479 
1 1 1 -4  20 2  o 452.4920 14.94563 6029.026       396.0767 6029.026       396.0767 0.000000       0.000000 452.4920 14.94563 ?        ?        0.000000       14.94563 
1 1 1 -4  20 3  o 393.0221 8.671518 4534.296       199.8769 4556.259       271.1616 4508.165       295.7771 393.6253 11.75931 391.4281 12.90196 2.197144       17.45686 
1 1 1 -4  20 4  o 277.7910 7.361923 2266.182       119.8332 2124.767       140.2462 2648.686       230.6539 268.8834 8.905870 299.8885 13.14641 -31.00513      15.87900 
1 1 1 -4  20 5  o 112.2510 13.57570 375.8455       87.55878 258.2786       105.2608 639.9106       157.7537 91.81399 20.10635 146.1572 18.84174 -54.34325      27.55498 
1 1 1 -4  20 6  o 239.3883 7.966225 1683.931       111.6865 1739.279       140.5166 1588.978       184.0475 243.1626 9.873803 232.0626 13.58242 11.10004       16.79208 
1 1 1 -4  20 7  o 339.5107 7.222437 3382.897       143.8096 3550.568       187.4430 3142.984       224.2166 347.6114 9.202519 326.8203 11.71687 20.79117       14.89871 
1 1 1 -4  20 8  o 543.2874 10.16355 8670.376       323.8364 9267.690       487.4508 8198.467       433.2697 560.9440 14.83003 527.6973 14.01224 33.24670       20.40276 
1 1 1 -4  20 9  o 603.7192 9.901338 10706.74       350.5738 11286.27       581.0733 10375.06       439.5919 618.7553 16.02607 593.9677 12.61933 24.78766       20.39810 
1 1 1 -4  20 10 o 421.4474 8.114452 5215.046       200.5641 5284.965       301.7979 5159.743       268.4096 423.7563 12.15622 418.8484 10.93610 4.907898       16.35151 
1 1 1 -4  20 11 o 349.9940 7.567946 3596.291       155.3421 3645.135       228.5856 3554.376       211.7526 351.9514 11.08812 347.6119 10.39853 4.339478       15.20118 
1 1 1 -4  20 12 o 116.8262 12.55284 406.2016       84.65921 293.4493       111.4004 560.3381       130.2497 97.84460 20.08665 136.8380 16.56698 -38.99339      26.03725 
1 1 1 -4  20 13 o 132.3155 11.66631 519.0180       89.60418 458.3757       106.2607 668.2601       166.6981 123.8135 14.93505 149.0435 19.54093 -25.23009      24.59479 
1 1 1 -4  20 14 o 492.0800 18.86320 7177.042       543.3711 0.000000       0.000000 7177.042       543.3711 ?        ?        492.0800 18.86320 0.000000       18.86320 
1 1 1 -4  20 15 o 631.6924 22.36279 11883.77       827.1734 0.000000       0.000000 11883.77       827.1734 ?        ?        631.6924 22.36279 0.000000       22.36279 
1 1 1 -4  20 16 o 152.5092 10.33914 687.4534       91.92970 591.4959       110.1733 907.3954       166.7980 140.9887 13.48848 174.4025 16.50385 -33.41374      21.31469 
1 1 1 -4  20 17 o 311.0093 7.095278 2841.344       129.4176 2760.799       188.8535 2912.658       177.7032 306.0697 10.53665 314.5099 9.645487 -8.440216      14.28483 
1 1 1 -4  20 18 o 286.0834 7.031985 2404.420       117.9835 2374.499       173.8136 2429.986       160.6683 283.7892 10.46119 287.2189 9.551493 -3.429657      14.16572 
1 1 1 -4  20 19 o 271.8052 6.821144 2171.813       108.6481 2195.423       160.1273 2151.671       147.9031 272.8864 10.02239 270.2448 9.345950 2.641602       13.70384 
1 1 1 -4  20 20 o 361.2921 6.839324 3835.472       144.9180 3927.737       213.0252 3755.988       197.7196 365.0636 9.959046 357.0767 9.449733 7.986938       13.72880 
1 1 1 -4  20 21 o 218.9788 7.102710 1410.942       91.09653 1433.210       134.1069 1391.864       124.1306 220.2736 10.41044 217.1604 9.771505 3.113129       14.27794 
1 1 1 -4  20 22 o 179.5036 7.937596 949.6251       83.35609 1112.966       122.5313 808.9136       113.7271 193.9647 10.81426 165.1074 11.82309 28.85724       16.02291 
1 1 1 -4  20 23 o 191.5385 7.802714 1080.922       87.46658 1035.635       128.2732 1120.277       119.5770 186.9072 11.76161 194.6293 10.51488 -7.722076      15.77651 
1 1 1 -4  20 24 o 337.0266 7.014942 3339.248       138.6560 3371.355       197.3986 3307.979       194.8055 338.0632 9.967133 334.8752 9.929966 3.187988       14.06940 
1 1 1 -4  20 25 o 194.8168 8.447784 1119.075       96.29111 929.4249       142.6293 1277.905       130.5265 176.6364 13.87965 207.8716 10.74308 -31.23518      17.55160 
1 1 1 -4  20 26 o 313.2399 7.443623 2885.325       136.7451 2807.971       193.3130 2962.798       193.4608 308.3683 10.70533 316.8216 10.42604 -8.453339      14.94344 
1 1 1 -4  20 27 o 269.7953 7.880096 2143.205       124.5520 2046.041       178.2241 2235.959       174.1334 262.9768 11.58419 275.0864 10.81458 -12.10962      15.84766 
1 1 1 -4  20 28 f 251.6602 7.862863 1865.381       115.9078 1726.470       162.5971 2008.902       165.2724 241.4819 11.51412 260.6643 10.83468 -19.18248      15.81029 
1 1 1 -4  20 29 o 39.52932 17.57407 -28.48795      81.75928 -69.91110      133.3303 -3.525208      103.5031 48.22009 21.85374 47.79329 20.53071 0.4268036      29.98493 
1 1 1 -4  20 30 o 48.81398 19.13787 43.77925       79.81622 56.00456       124.7106 35.29720       103.8780 59.02404 23.66908 52.52331 21.40638 6.500729       31.91330 
1 1 1 -4  20 31 o 53.88735 22.19239 32.50710       113.1219 53.19865       128.2635 -39.93692      239.9981 59.15099 23.90395 68.79098 30.36986 -9.639988      38.64876 
1 1 1 -4  20 32 o 309.0113 6.917159 2811.319       125.3582 2828.677       137.6104 2726.653       303.9100 309.8408 7.572896 300.7167 17.30513 9.124054       18.88958 
1 1 1 -4  20 33 o 49.95382 18.98260 55.27541       76.76515 104.1049       80.94402 -381.3352      242.0420 59.75513 19.81227 51.81731 25.18167 7.937813       32.04126 
1 1 1 -4  20 34 o 275.1053 7.329540 2233.156       118.1515 2177.854       127.4194 2572.352       315.5688 271.5113 8.010736 290.5015 18.62035 -18.99020      20.27041 
1 1 1 -4  20 35 o 119.1924 12.49088 428.7480       86.02029 447.6533       91.24332 277.6557       257.9473 121.6824 12.98612 95.40199 35.08722 26.28036       37.41326 
1 1 1 -4  20 36 o 305.4836 7.407426 2758.493       132.7106 2800.768       147.8554 2583.268       301.0190 307.4306 8.207827 289.6890 17.80387 17.74167       19.60475 
1 1 1 -4  20 37 o 44.62849 18.58020 20.88589       80.49222 56.82180       84.57766 -324.3612      262.1539 50.86415 19.76975 55.23074 26.68902 -4.366581      33.21366 
1 1 1 -4  20 38 o 240.7113 7.475140 1719.030       105.3997 1702.693       113.2625 1824.595       287.9072 239.3297 8.080946 239.0231 20.74336 0.3065643      22.26182 
1 1 1 -4  20 39 o 102.9008 15.91195 333.3397       92.93144 353.8195       123.6417 306.7469       140.8911 103.6192 21.06443 94.48199 25.03050 9.137245       32.71446 
1 1 1 -4  20 40 o 81.10928 19.09240 216.7746       89.30186 278.8367       133.7579 166.8637       119.9510 89.63649 24.66943 71.30062 24.12506 18.33587       34.50506 
1 1 1 -4  20 41 o 133.5692 12.82152 549.8817       99.20549 514.9282       145.6044 580.1666       135.5320 124.6451 20.63983 134.4668 17.60875 -9.821609      27.13062 
1 1 1 -4  20 42 o 99.01687 17.24446 318.2404       96.50360 472.5738       147.2275 201.9822       127.7823 117.8345 22.11631 76.09980 24.87679 41.73466       33.28642 
1 1 1 -4  20 43 o 94.07860 19.24773 296.6359       102.6163 182.2273       154.9942 385.9210       136.9227 73.11018 27.14252 105.1484 22.85714 -32.03827      35.48471 
1 1 1 -4  20 44 o 91.33721 20.62200 287.1321       107.8419 471.0064       160.4889 135.7579       145.6165 114.3874 24.65061 66.30252 25.89195 48.08488       35.74976 
1 1 1 -4  20 45 o 46.16168 20.43759 -2.981918      109.4368 133.4823       162.4416 -116.3930      148.0865 66.74987 26.92723 44.64341 21.15553 22.10646       34.24371 
1 1 1 -4  20 46 o 75.57175 24.55718 209.7899       124.6146 226.9923       197.3469 198.3822       160.7066 77.42379 30.16879 73.69701 27.58333 3.726776       40.87782 
1 1 1 -4  20 47 o 106.9035 22.01612 405.7085       133.4345 629.2218       209.3861 252.8690       173.1466 126.2215 28.90868 79.93186 28.84432 46.28966       40.83756 
1 1 1 -4  21 1  o 567.1839 10.52264 9450.323       350.0250 8792.931       443.3729 10537.82       570.2567 546.5699 13.84275 597.9663 16.27598 -51.39636      21.36655 
1 1 1 -4  21 2  o 606.7436 11.49874 10818.58       409.1722 10619.07       574.7894 11023.54       582.6035 600.2429 16.34314 611.5917 16.25722 -11.34882      23.05202 
1 1 1 -4  21 3  o 474.7234 10.17331 6619.892       283.2392 6991.107       435.4355 6347.624       372.9142 487.0914 15.26157 464.3318 13.70900 22.75955       20.51468 
1 1 1 -4  21 4  o 524.5316 10.02782 8081.854       308.4812 8008.938       422.6732 8164.958       451.2435 521.5745 13.82997 526.5107 14.62764 -4.936279      20.13047 
1 1 1 -4  21 5  o 592.8403 9.061660 10321.11       315.0620 10599.31       399.2504 9861.896       512.9455 600.5310 11.33599 578.5569 15.13030 21.97412       18.90584 
1 1 1 -4  21 6  o 284.7332 7.317396 2381.284       122.0914 2358.550       150.9208 2424.341       207.6950 283.2426 9.097115 286.8631 12.37438 -3.620514      15.35848 
1 1 1 -4  21 7  o 429.5029 7.675406 5415.584       193.3383 5516.940       245.3203 5249.433       314.0956 433.3606 9.652359 422.2583 12.69775 11.10229       15.94995 
1 1 1 -4  21 8  o 438.1271 7.778017 5635.757       199.8571 5804.508       256.6339 5375.690       318.5900 444.4746 9.845017 427.2733 12.72801 17.20132       16.09119 
1 1 1 -4  21 9  o 323.5577 7.657356 3073.745       145.3052 3303.452       219.2645 2893.873       194.0273 335.0085 11.17559 313.5942 10.56489 21.41428       15.37890 
1 1 1 -4  21 10 f 174.9378 9.069530 901.4795       92.73282 976.1128       124.0032 806.7826       139.6800 181.7943 11.69260 164.8362 14.59960 16.95813       18.70468 
1 1 1 -4  21 11 o 166.9603 9.122000 821.4978       88.98174 835.2249       119.1936 804.2166       133.7366 168.0313 12.17781 164.6328 13.98325 3.398514       18.54267 
1 1 1 -4  21 12 o 284.3021 7.246364 2374.962       120.7248 2290.577       171.4453 2457.955       170.0249 278.8901 10.50070 288.9647 10.04798 -10.07458      14.53364 
1 1 1 -4  21 13 o 449.8117 9.004213 5946.720       237.5347 5704.867       314.3833 6268.453       362.6029 439.9831 12.19529 460.9820 13.42640 -20.99890      18.13817 
1 1 1 -4  21 14 o 372.1709 12.65506 4086.278       275.8194 0.000000       0.000000 4086.278       275.8194 ?        ?        372.1709 12.65506 0.000000       12.65506 
1 1 1 -4  21 15 o 315.7562 7.432099 2929.031       137.6302 3202.976       213.5331 2734.349       180.0095 329.6408 11.06087 304.6811 10.08785 24.95975       14.97022 
1 1 1 -4  21 16 o 332.5697 7.279942 3249.494       141.9911 3224.923       211.0129 3269.826       191.9496 330.7422 10.89336 333.2031 9.833384 -2.460846      14.67517 
1 1 1 -4  21 17 o 66.32731 19.26397 133.5204       79.35365 141.1295       92.40675 112.1492       154.8647 68.67036 20.99714 71.18926 26.98279 -2.518906      34.18992 
1 1 1 -4  21 18 o 127.2299 15.72699 486.5792       114.8549 0.000000       0.000000 486.5792       114.8549 ?        ?        127.2299 15.72699 0.000000       15.72699 
1 1 1 -4  21 19 o 355.3160 7.331433 3710.971       152.7756 3865.630       239.3836 3604.689       198.4442 361.8792 11.29307 349.7480 9.683911 12.13123       14.87654 
1 1 1 -4  21 20 o 101.1716 12.89659 307.2943       74.78445 322.9878       112.4173 294.8358       100.1627 102.4208 19.42578 98.02189 18.08964 4.398949       26.54423 
1 1 1 -4  21 21 o 137.1401 9.777436 556.8893       78.12354 432.2687       113.6142 668.6612       107.5979 119.4935 16.66475 149.9444 12.34478 -30.45090      20.73903 
1 1 1 -4  21 22 o 302.4976 6.921649 2689.854       122.7954 2791.053       179.2421 2600.350       168.5668 307.5760 9.949674 296.9174 9.693226 10.65857       13.89081 
1 1 1 -4  21 23 o 432.8914 7.510388 5511.113       190.6742 5662.636       278.0231 5376.554       261.9978 438.1194 10.82027 426.9922 10.46230 11.12717       15.05118 
1 1 1 -4  21 24 o 236.1507 7.759590 1642.091       107.3219 1638.315       159.8675 1645.188       144.8007 235.2761 11.62192 235.9714 10.48932 -0.6953125     15.65551 
1 1 1 -4  21 25 o 314.7130 9.320418 2919.698       171.8390 3111.162       217.4968 2601.652       280.3207 324.4482 11.44822 295.4598 16.23977 28.98837       19.86937 
1 1 1 -4  21 26 o 175.2194 9.640343 907.3577       98.68436 919.9005       154.0491 898.6282       128.5167 175.4462 15.11880 173.8766 12.69020 1.569611       19.73878 
1 1 1 -4  21 27 o 148.8750 10.64799 657.2920       92.35550 497.6260       144.2548 768.1949       120.2252 127.4445 19.95431 160.6169 12.87066 -33.17234      23.74507 
1 1 1 -4  21 28 o 175.5822 12.34273 916.7982       126.2893 968.0901       145.7182 762.0046       253.1430 180.1208 13.90179 155.1405 28.88474 24.98033       32.05602 
1 1 1 -4  21 29 o 319.7646 7.646284 3010.144       143.3941 2780.160       199.0558 3258.232       206.7423 306.4478 11.09392 331.9073 10.63464 -25.45944      15.36785 
1 1 1 -4  21 30 o 65.49884 19.87401 130.7276       82.99786 79.10283       130.5640 165.7358       107.5176 62.75743 24.51442 73.58614 22.67655 -10.82870      33.39435 
1 1 1 -4  21 31 f 395.7613 7.644181 4615.093       177.4250 4467.113       241.1422 4789.761       261.9853 388.3646 10.59715 401.9532 11.12420 -13.58865      15.36384 
1 1 1 -4  21 32 o 32.13919 15.05594 -69.72385      71.21975 -61.27514      74.26926 -166.3133      251.1186 33.84802 15.69407 62.61107 28.97031 -28.76305      32.94818 
1 1 1 -4  21 33 o 212.4559 7.852906 1333.533       97.67914 1317.611       104.1201 1450.413       282.0981 211.0627 8.428436 215.9659 22.60682 -4.903290      24.12689 
1 1 1 -4  21 34 o 137.3595 11.08373 564.5222       88.53079 570.0627       93.74180 518.8031       269.2812 137.8799 11.70309 122.4146 35.46696 15.46531       37.34792 
1 1 1 -4  21 35 o 185.8244 8.393347 1024.500       91.23593 1032.161       97.13055 967.0725       265.9451 186.3816 8.911735 171.4257 27.37256 14.95595       28.78673 
1 1 1 -4  21 36 f 124.0131 12.08984 465.8707       86.81518 476.0358       91.36864 371.4448       278.4763 125.1958 12.61578 102.6801 36.63731 22.51562       38.74855 
1 1 1 -4  21 37 o 55.70401 22.52588 57.88645       113.9855 136.0217       126.9045 -268.3240      259.3000 67.97072 24.67104 56.67070 27.16819 11.30002       36.69837 
1 1 1 -4  21 38 o 145.3402 10.14180 635.3544       85.90486 637.3991       90.22948 615.5457       280.8472 145.3869 10.65614 126.1894 36.11651 19.19755       37.65575 
1 1 1 -4  21 39 o 162.6553 9.998645 796.1448       94.91962 857.3786       102.0597 403.8809       258.3140 168.6558 10.36828 102.2487 35.38049 66.40716       36.86842 
1 1 1 -4  21 40 o 104.7435 15.11274 345.9996       90.15505 276.8483       128.2439 413.5663       126.7660 89.19403 23.99465 111.9500 20.04364 -22.75601      31.26485 
1 1 1 -4  21 41 o 47.93094 19.83148 35.83295       90.90021 104.0758       135.5604 -19.92070      122.5296 62.78631 24.84092 47.77113 21.35784 15.01518       32.76017 
1 1 1 -4  21 42 o 62.76754 21.81330 127.4035       98.23735 -13.68929      150.1510 232.9990       129.8968 52.59390 23.56888 80.72531 24.93358 -28.13141      34.30999 
1 1 1 -4  21 43 o 144.9519 13.38294 655.9455       112.4857 757.0379       171.7324 579.9834       148.8646 150.5731 19.93648 131.6138 19.90715 18.95935       28.17371 
1 1 1 -4  21 44 o 114.9966 17.13287 432.4543       112.0268 369.7525       166.3845 484.4510       151.5169 98.18027 27.69916 117.4336 22.82220 -19.25329      35.89006 
1 1 1 -4  21 45 f 33.29069 16.40288 -207.1616      113.8868 -206.5085      177.7696 -207.6163      148.3213 44.81085 21.73106 39.93198 19.47430 4.878876       29.18026 
1 1 1 -4  21 46 o 126.1785 18.46001 532.4540       132.5641 792.4810       209.3723 358.4667       171.2651 147.2347 25.14943 94.80739 28.50170 52.42735       38.01106 
1 1 1 -4  22 1  o 614.0717 11.24387 11085.03       404.9350 10878.62       550.3666 11328.64       597.9126 607.4636 15.46089 619.6890 16.46639 -12.22540      22.58719 
1 1 1 -4  22 2  o 948.3874 16.38333 26515.42       911.2521 24293.38       1120.818 30848.25       1565.109 906.2045 21.08911 1018.415 26.22590 -112.2109      33.65335 
1 1 1 -4  22 3  o 264.2536 16.24880 2066.218       250.6038 2066.218       250.6038 0.000000       0.000000 264.2536 16.24880 ?        ?        0.000000       16.24880 
1 1 1 -4  22 4  o 138.7066 11.16651 569.2571       90.07040 500.6746       104.1065 773.3997       179.6132 129.6754 13.90587 160.6322 19.46226 -30.95682      23.91972 
1 1 1 -4  22 5  o 477.1815 7.932473 6686.000       221.9947 7001.961       284.6295 6195.300       354.7086 488.1409 9.942241 458.6092 13.20172 29.53168       16.52676 
1 1 1 -4  22 6  o 506.2386 8.203367 7526.147       243.5555 7794.423       311.9295 7107.147       389.8277 514.9599 10.32839 491.1349 13.54679 23.82498       17.03499 
1 1 1 -4  22 7  o 483.7610 8.060853 6872.691       228.6980 7092.557       293.3545 6532.003       365.1672 491.2210 10.18276 470.8424 13.23722 20.37863       16.70068 
1 1 1 -4  22 8  o 405.5575 7.528623 4829.629       179.0682 5090.834       232.1946 4446.285       281.2909 416.2122 9.512330 388.4893 12.36173 27.72281       15.59797 
1 1 1 -4  22 9  o 131.2887 10.38586 509.9659       79.31780 600.6861       99.31914 350.2254       131.7918 142.3654 12.00720 106.7608 21.78714 35.60461       24.87674 
1 1 1 -4  22 10 o 217.8461 7.912185 1395.789       100.9194 1564.486       141.6062 1221.670       143.8637 230.4015 10.50730 203.3536 12.11778 27.04793       16.03883 
1 1 1 -4  22 11 o 192.1102 8.361424 1086.448       93.98093 1039.877       123.4570 1150.626       144.9283 187.6366 11.27078 197.2423 12.59440 -9.605728      16.90117 
1 1 1 -4  22 12 o 398.7656 7.749892 4671.517       181.2441 4710.598       272.9341 4640.689       242.4083 399.7978 11.65280 397.0167 10.41991 2.781097       15.63209 
1 1 1 -4  22 13 o 194.5941 8.025472 1114.647       91.39404 1088.585       120.9113 1149.385       139.5938 192.0052 10.78081 197.1335 12.13290 -5.128250      16.23062 
1 1 1 -4  22 14 o 211.4432 9.322666 1317.592       115.3228 1332.313       146.8272 1293.886       186.3209 212.3009 11.83935 208.6394 15.33413 3.661484       19.37281 
1 1 1 -4  22 15 o 341.2835 8.307942 3424.392       166.2874 3269.128       213.3775 3664.528       265.3643 332.9614 10.94195 352.1755 12.86957 -19.21414      16.89236 
1 1 1 -4  22 16 o 351.8553 8.344361 3640.521       172.1899 3530.197       222.0839 3806.802       272.6477 345.9620 10.95939 358.8615 12.97597 -12.89954      16.98482 
1 1 1 -4  22 17 o 281.2102 7.206462 2325.563       118.7533 2084.058       164.6271 2587.553       171.4667 265.7476 10.58403 296.2731 9.882009 -30.52551      14.48019 
1 1 1 -4  22 18 o 109.4607 12.51339 358.3769       78.88937 257.2151       110.9714 461.7378       112.1711 90.95411 21.19738 123.8084 15.80841 -32.85426      26.44305 
1 1 1 -4  22 19 o 386.8658 7.547705 4400.875       171.2481 4332.005       258.7639 4454.542       228.4262 382.9531 11.53461 388.6806 10.02918 -5.727539      15.28502 
1 1 1 -4  22 20 o 177.9581 8.606533 934.2672       89.55852 1060.308       135.5693 836.6705       119.2954 189.0473 12.29427 167.8549 12.20154 21.19234       17.32128 
1 1 1 -4  22 21 o 227.1751 7.662770 1519.630       101.9471 1467.645       151.8182 1562.322       137.5810 222.6419 11.66769 229.9808 10.22595 -7.338882      15.51467 
1 1 1 -4  22 22 o 120.0671 11.38649 429.2930       79.22146 449.1269       117.5263 412.7760       107.2497 121.7558 16.91486 116.8192 16.08039 4.936668       23.33862 
1 1 1 -4  22 23 o 36.70793 16.68379 -46.49310      78.38831 -12.05707      120.3273 -71.88330      103.3215 50.73520 21.96714 41.12132 18.86547 9.613880       28.95620 
1 1 1 -4  22 24 o 392.6028 7.608927 4533.199       175.1973 4742.476       259.9225 4358.956       237.1703 400.7565 11.06953 384.3253 10.53223 16.43127       15.27947 
1 1 1 -4  22 25 o 441.0947 8.085959 5724.904       209.1770 5723.500       305.5705 5726.142       286.9488 440.0239 11.85169 440.3361 11.12032 -0.3121338     16.25189 
1 1 1 -4  22 26 o 261.4993 7.831187 2013.835       119.9662 1983.464       173.6323 2041.577       165.9444 258.8850 11.46441 262.7934 10.79002 -3.908447      15.74348 
1 1 1 -4  22 27 o 263.0134 9.866915 2043.341       151.9285 2089.851       179.2756 1924.814       286.1913 265.6429 11.53477 252.6090 19.46786 13.03386       22.62849 
1 1 1 -4  22 28 o 106.1672 14.56187 341.1553       88.28232 338.0786       135.9728 343.3973       116.0750 103.6572 22.97105 105.3200 19.51052 -1.662781      30.13851 
1 1 1 -4  22 29 o 232.5066 8.496420 1595.942       115.6620 1522.674       167.2297 1663.130       160.1420 226.1701 12.65797 236.6853 11.57182 -10.51523      17.15026 
1 1 1 -4  22 30 o 145.1454 10.99752 627.3431       92.91898 533.4753       136.4387 708.5375       126.8944 131.9967 18.10105 153.5451 14.25421 -21.54840      23.03976 
1 1 1 -4  22 31 o 57.70499 20.08175 92.00547       83.27469 -48.04979      123.1433 210.0230       113.0406 47.51477 21.31450 81.54095 22.76948 -34.02619      31.18905 
1 1 1 -4  22 32 o 225.9308 7.545117 1506.764       99.83487 1555.606       106.0479 1126.190       296.0204 229.4969 7.890805 187.5188 27.75396 41.97809       28.85390 
1 1 1 -4  22 33 f 117.4368 12.11044 415.1198       82.21452 397.1382       86.39664 587.4827       267.4880 114.5895 13.09046 130.7840 34.41438 -16.19459      36.81996 
1 1 1 -4  22 34 o 152.2650 9.659836 690.9246       85.81746 738.8082       90.90055 298.3443       260.2780 157.4112 9.896548 96.86919 35.30650 60.54205       36.66730 
1 1 1 -4  22 35 o 83.95061 16.67026 222.4493       79.18084 244.3194       82.51464 -31.91362      281.4052 88.10904 16.57656 71.65792 32.17671 16.45112       36.19562 
1 1 1 -4  22 36 o 271.6446 7.399004 2186.873       117.7661 2223.837       127.9207 1981.387       301.6046 273.6986 7.977769 249.6834 20.78504 24.01526       22.26349 
1 1 1 -4  22 37 o 224.2025 8.284696 1496.259       108.7477 1445.700       117.0090 1816.850       294.6422 220.0451 9.086410 237.5626 21.37621 -17.51749      23.22725 
1 1 1 -4  22 38 o 137.4827 11.32338 573.2981       90.49217 585.1442       96.20691 482.3776       266.5312 138.6472 11.94807 111.0610 35.90057 27.58622       37.83659 
1 1 1 -4  22 39 o 105.5374 14.23152 347.9748       85.84341 360.3708       90.96183 247.0343       259.5675 107.1343 14.87802 85.86943 34.24372 21.26488       37.33615 
1 1 1 -4  22 40 o 78.91431 24.11169 216.3667       121.8827 275.1811       137.2863 -2.491611      264.8299 88.07067 25.26555 67.73907 30.73945 20.33160       39.79023 
1 1 1 -4  22 41 o 59.99136 20.82553 113.7661       89.52998 143.0493       133.9568 90.12551       120.3607 67.43074 25.19437 59.20482 23.41225 8.225918       34.39317 
1 1 1 -4  22 42 o 79.10899 20.94621 215.9372       98.69803 204.8593       148.3516 224.7343       132.2006 75.85838 26.77308 78.97111 25.26104 -3.112724      36.80921 
1 1 1 -4  22 43 o 147.8166 13.04728 681.2620       111.9481 796.5685       171.6930 595.9879       147.6503 154.7225 19.34261 133.5711 19.41645 21.15143       27.40684 
1 1 1 -4  22 44 o 58.68102 23.05643 97.28198       116.0636 80.42946       182.0338 108.8258       150.6589 63.13911 27.17635 63.11487 25.75837 0.2423859E-01  37.44393 
1 1 1 -4  22 45 o 53.93745 23.84923 19.03689       148.5537 406.7706       371.5764 -54.72630      162.0694 90.89488 38.97050 50.35838 23.29136 40.53651       45.40030 
1 1 1 -4  22 46 o 50.28112 22.21892 11.81759       128.7480 -53.71053      197.8424 59.95270       169.5651 54.75890 25.46655 59.46169 25.90802 -4.702789      36.32865 
1 1 1 -4  23 1  o 229.2739 15.19040 1556.467       203.1041 1556.467       203.1041 0.000000       0.000000 229.2739 15.19040 ?        ?        0.000000       15.19040 
1 1 1 -4  23 2  o 285.5591 7.990872 2396.659       133.6945 2249.457       167.5683 2654.486       221.7689 276.4246 10.35459 300.0423 12.63107 -23.61771      16.33284 
1 1 1 -4  23 3  o 192.4811 9.601084 1091.510       108.0403 1091.510       108.0403 0.000000       0.000000 192.4811 9.601084 ?        ?        0.000000       9.601084 
1 1 1 -4  23 4  f 498.9724 9.685618 7317.667       283.4356 7562.708       403.5432 7079.087       398.1874 506.5136 13.59695 489.9865 13.87044 16.52713       19.42334 
1 1 1 -4  23 5  o 474.6024 9.306990 6619.580       259.0536 6313.597       338.7709 7050.456       402.0063 462.9325 12.48921 488.9269 14.03421 -25.99442      18.78668 
1 1 1 -4  23 6  f 105.0806 12.65682 329.7911       76.43168 224.1341       88.92150 628.6569       149.5532 85.45084 18.29536 144.7207 18.00887 -59.26984      25.67176 
1 1 1 -4  23 7  o 529.6862 8.384903 8243.104       260.4757 8668.402       339.1021 7631.016       406.8091 542.8597 10.65105 508.6576 13.64920 34.20218       17.31316 
1 1 1 -4  23 8  o 375.2926 7.174314 4136.184       157.9068 4297.901       201.6437 3879.764       253.9112 382.3984 8.991207 362.8061 11.94950 19.59232       14.95434 
1 1 1 -4  23 9  o 311.2248 8.335033 2848.302       151.9991 2915.996       164.7808 2462.037       393.6166 314.8389 8.933197 286.4335 23.64178 28.40540       25.27322 
1 1 1 -4  23 10 o 306.4692 8.533122 2762.705       153.2225 2856.190       169.1205 2334.426       361.9832 311.5299 9.266781 279.1012 22.29980 32.42874       24.14859 
1 1 1 -4  23 11 o 220.9607 8.738904 1437.614       113.0226 1509.352       143.4412 1320.147       183.5508 226.1685 10.84573 210.8687 14.93875 15.29984       18.46067 
1 1 1 -4  23 12 o 165.7092 9.884105 810.8736       95.62173 702.0233       124.5054 967.4106       149.3076 153.5699 13.97691 180.4336 14.22454 -26.86371      19.94221 
1 1 1 -4  23 13 o 136.8517 14.17252 559.1259       112.1046 547.3824       124.3402 610.1397       259.1532 135.0586 16.00877 138.8866 32.41045 -3.827972      36.14856 
1 1 1 -4  23 14 o 549.4253 10.38268 8889.969       334.5560 9343.112       490.2355 8494.969       457.7050 561.7928 14.89228 535.7746 14.57998 26.01819       20.84121 
1 1 1 -4  23 15 o 258.6686 10.70425 1974.822       162.0358 0.000000       0.000000 1974.822       162.0358 ?        ?        258.6686 10.70425 0.000000       10.70425 
1 1 1 -4  23 16 f 332.9948 8.268955 3261.553       161.4874 3154.923       209.2628 3418.544       253.9147 326.9541 10.92862 339.9650 12.75776 -13.01083      16.79867 
1 1 1 -4  23 17 o 215.3636 7.963798 1366.031       100.4140 1179.387       135.8636 1590.713       149.0668 199.5701 11.65876 231.9880 10.98755 -32.41788      16.02039 
1 1 1 -4  23 18 o 388.8043 8.726466 4449.486       198.9848 4660.159       278.1931 4228.788       284.7350 397.0748 11.95966 377.9982 12.86275 19.07660       17.56371 
1 1 1 -4  23 19 o 210.5691 8.016190 1306.337       98.81419 1358.203       145.3522 1261.768       134.7392 214.1696 11.61560 206.4809 11.16820 7.688751       16.11369 
1 1 1 -4  23 20 o 200.1277 8.260871 1180.571       96.74953 1146.885       137.9489 1213.181       135.7272 196.6750 12.01701 202.3946 11.48160 -5.719604      16.62034 
1 1 1 -4  23 21 o 243.0271 7.878242 1739.266       112.1399 1772.074       166.1339 1711.807       151.9882 244.7110 11.60898 240.6529 10.79631 4.058136       15.85335 
1 1 1 -4  23 22 o 618.6917 10.24914 11284.72       371.8879 11456.41       591.7031 11172.61       478.1242 620.6671 16.26932 614.5052 13.26675 6.161865       20.99279 
1 1 1 -4  23 23 o 577.9529 9.788928 9842.854       331.8013 10244.27       543.0363 9603.712       419.1412 587.1385 15.78454 570.0024 12.53814 17.13611       20.15829 
1 1 1 -4  23 24 o 240.0478 8.200047 1697.658       115.2727 1561.467       168.6487 1817.073       157.9201 229.4683 12.57982 247.9227 10.88757 -18.45442      16.63704 
1 1 1 -4  23 25 o 170.3801 9.679419 858.4245       96.32264 826.1063       148.5628 881.8633       126.5187 166.0565 15.43127 172.2028 12.61502 -6.146286      19.93146 
1 1 1 -4  23 26 o 259.3172 7.945577 1981.333       120.6965 1928.920       176.2384 2027.630       165.6358 255.1248 11.81075 261.8051 10.81088 -6.680237      16.01152 
1 1 1 -4  23 27 o 60.70059 20.20562 105.8297       84.17034 41.00314       139.4336 142.9964       105.5768 59.85151 24.64252 69.55463 22.60377 -9.703125      33.43926 
1 1 1 -4  23 28 o 290.3894 9.493788 2492.129       161.4681 2560.126       196.3981 2350.307       283.6378 293.8216 11.41907 279.4417 17.39326 14.37988       20.80674 
1 1 1 -4  23 29 o 178.3002 9.901637 942.4970       103.1336 918.9839       151.7387 962.6857       140.6030 174.8440 14.94077 179.3874 13.46270 -4.543427      20.11146 
1 1 1 -4  23 30 o 39.71760 17.79299 -34.61885      85.50162 -144.4952      131.6810 45.47145       112.4245 42.33179 20.02727 55.23857 22.35903 -12.90678      30.01696 
1 1 1 -4  23 31 o 86.63583 17.97279 234.6887       88.32311 0.6257009      128.9180 441.7355       121.2499 53.18401 22.88064 119.7522 17.80517 -66.56824      28.99220 
1 1 1 -4  23 32 o 144.1624 15.11622 630.8456       125.9060 604.2093       141.8777 729.5714       273.1443 140.2020 17.64468 147.1826 32.51208 -6.980560      36.99149 
1 1 1 -4  23 33 f 93.95956 14.13053 270.8965       75.45761 321.9912       78.55453 -339.0569      271.4137 102.8246 13.34055 56.96450 27.43419 45.86013       30.50582 
1 1 1 -4  23 34 f 125.5647 11.05472 474.3675       80.57738 519.8572       84.92000 63.40945       255.2420 131.4704 11.11778 75.13962 32.25869 56.33083       34.12078 
1 1 1 -4  23 35 o 76.73756 17.89894 189.0936       79.06937 223.5993       83.06952 -143.5243      257.9103 83.70438 17.48635 62.24693 28.99198 21.45744       33.85717 
1 1 1 -4  23 36 o 216.1675 7.946715 1389.047       100.5747 1397.302       106.9863 1326.300       294.9583 216.6238 8.437287 198.9771 25.88922 17.64671       27.22939 
1 1 1 -4  23 37 o 97.80389 15.97962 302.0208       88.49641 284.0732       93.67679 450.9620       269.8578 94.10170 17.62143 107.8704 36.18451 -13.76871      40.24715 
1 1 1 -4  23 38 o 124.1979 17.62725 492.8868       124.7930 608.0598       140.2761 55.85375       273.2534 138.0746 17.73167 72.98935 32.30597 65.08528       36.85225 
1 1 1 -4  23 39 o 143.3031 11.47396 626.4268       95.62659 646.6933       100.9995 451.0056       297.1469 145.3804 11.95120 103.6043 37.72992 41.77605       39.57749 
1 1 1 -4  23 40 o 86.28740 18.41096 246.2701       90.32883 210.0811       94.75138 607.0133       299.1547 78.72598 20.36833 117.6464 38.03470 -38.92037      43.14519 
1 1 1 -4  23 41 o 113.2815 15.64710 410.0563       101.1814 424.5658       147.6446 397.2079       138.9362 109.9088 23.60971 106.7496 22.87987 3.159248       32.87715 
1 1 1 -4  23 42 o 65.61260 21.70944 146.0582       97.20237 225.9899       141.5345 74.70146       133.7273 78.53932 26.20277 58.16996 24.05949 20.36936       35.57308 
1 1 1 -4  23 43 o 115.4968 16.69570 434.4484       109.8125 429.4718       159.7811 438.9032       151.1729 107.8711 25.63614 110.5354 24.00833 -2.664375      35.12281 
1 1 1 -4  23 44 o 88.31674 23.82385 285.9211       126.2151 64.67432       192.9103 451.5147       166.8932 62.54137 27.43270 109.3646 26.33651 -46.82319      38.02848 
1 1 1 -4  23 45 f 45.41648 21.06552 -61.24302      133.9906 -116.8602      217.2680 -27.10777      170.2131 53.97453 25.59130 53.18997 24.33174 0.7845535      35.31215 
1 1 1 -4  24 1  o 783.8045 13.85095 18112.87       636.7042 17516.13       859.0692 18840.19       948.4180 768.9366 19.04965 796.6650 20.31552 -27.72839      27.84977 
1 1 1 -4  24 2  o 732.7701 18.61455 15911.06       799.3170 0.000000       0.000000 15911.06       799.3170 ?        ?        732.7701 18.61455 0.000000       18.61455 
1 1 1 -4  24 3  o 328.8756 8.104551 3177.671       156.3188 3177.671       156.3188 0.000000       0.000000 328.8756 8.104551 ?        ?        0.000000       8.104551 
1 1 1 -4  24 4  o 311.4991 10.15774 2857.018       185.3204 2857.018       185.3204 0.000000       0.000000 311.4991 10.15774 ?        ?        0.000000       10.15774 
1 1 1 -4  24 5  o 194.3435 8.099658 1111.662       92.11583 977.1312       106.3456 1515.880       184.3386 181.9953 10.00189 226.2739 13.95888 -44.27856      17.17231 
1 1 1 -4  24 6  o 361.2877 7.170106 3833.764       151.9250 4039.372       190.0191 3469.442       252.9414 370.7044 8.740152 342.8900 12.59951 27.81439       15.33421 
1 1 1 -4  24 7  f 593.8028 9.097143 10367.48       316.8092 11140.84       422.8162 9377.493       478.3835 615.0063 11.72253 563.3961 14.49013 51.61017       18.63818 
1 1 1 -4  24 8  o 208.6607 7.812723 1281.159       95.43900 1264.379       115.9243 1316.458       168.1374 207.1084 9.569780 210.7802 13.67523 -3.671875      16.69109 
1 1 1 -4  24 9  o 339.8784 8.176242 3395.425       162.9776 3723.323       231.4415 3072.892       229.5404 355.3840 11.11802 322.6480 12.15224 32.73593       16.47080 
1 1 1 -4  24 10 o 247.5181 7.392499 1801.755       107.1919 2026.615       143.1557 1514.791       161.7208 262.3058 9.320537 226.3330 12.22879 35.97289       15.37581 
1 1 1 -4  24 11 o 65.92861 19.23530 131.7511       78.95743 77.22543       98.82684 227.9808       131.2891 58.04564 21.64958 86.12252 24.70782 -28.07689      32.85089 
1 1 1 -4  24 12 o 268.7125 20.29288 2164.100       317.4391 0.000000       0.000000 2164.100       317.4391 ?        ?        268.7125 20.29288 0.000000       20.29288 
1 1 1 -4  24 13 o 301.2975 9.232488 2674.083       162.9491 2443.840       179.0731 3782.654       392.9335 287.8073 10.62734 356.0102 18.88700 -68.20288      21.67162 
1 1 1 -4  24 14 o 173.1776 10.88596 887.5140       110.0034 828.4589       134.1953 1008.478       192.0600 166.8139 13.84137 183.2613 18.10597 -16.44746      22.79056 
1 1 1 -4  24 15 o 117.3363 13.91813 412.9521       93.91420 270.6237       122.9229 612.5209       145.5571 93.13026 22.71245 142.4090 17.81670 -49.27873      28.86677 
1 1 1 -4  24 16 f 129.4602 11.86061 498.8988       89.05246 530.0045       119.2666 459.7074       133.8736 132.7709 15.61490 122.7115 19.23349 10.05946       24.77402 
1 1 1 -4  24 17 o 105.6482 14.41661 336.6250       86.99768 408.0968       114.4437 238.7835       133.9016 115.8715 17.37599 87.69210 24.88583 28.17937       30.35176 
1 1 1 -4  24 18 o 235.9332 7.922719 1639.385       109.4706 1589.543       155.6273 1688.199       154.0149 231.7604 11.48553 238.9460 11.02005 -7.185577      15.91725 
1 1 1 -4  24 19 o 37.30736 17.56988 -106.6106      99.24727 -117.0826      115.5983 -77.24796      193.5684 40.69558 19.10164 59.54657 26.71657 -18.85099      32.84277 
1 1 1 -4  24 20 o 340.1134 7.712451 3402.469       153.8391 3550.583       238.1434 3296.394       201.5334 346.5494 11.73410 334.2162 10.29407 12.33322       15.60952 
1 1 1 -4  24 21 o 421.4040 8.235091 5225.371       203.5249 5496.910       325.9545 5051.857       260.5594 430.9450 12.91144 413.7104 10.74800 17.23465       16.79955 
1 1 1 -4  24 22 o 270.7607 8.417971 2159.645       133.5106 2538.834       211.7934 1909.600       171.9864 292.8435 12.35959 254.0589 11.57314 38.78465       16.93213 
1 1 1 -4  24 23 o 367.3158 8.095428 3970.182       174.3934 4132.676       270.6017 3854.749       228.0744 373.6946 12.36407 361.2954 10.77579 12.39923       16.40085 
1 1 1 -4  24 24 o 244.6476 8.353910 1764.075       119.6861 1677.420       179.8297 1832.983       160.3617 237.7025 12.94852 248.9239 11.01184 -11.22137      16.99779 
1 1 1 -4  24 25 o 193.1840 9.481788 1103.049       107.0984 1157.416       166.7134 1064.846       139.7494 196.8734 14.54150 189.2139 12.66646 7.659561       19.28456 
1 1 1 -4  24 26 o 144.1319 11.31992 618.1115       94.91991 649.3683       154.2809 599.0740       120.4049 146.0796 18.41675 141.1646 14.76142 4.915024       23.60246 
1 1 1 -4  24 27 o 147.5820 10.98188 647.9597       94.37052 569.0228       143.6577 707.8822       125.1653 136.4294 18.42491 153.6184 14.04815 -17.18898      23.16954 
1 1 1 -4  24 28 o 161.2250 10.71165 772.6503       100.7092 810.2354       158.6396 747.2778       130.3424 163.5606 16.77544 157.7265 14.24398 5.834122       22.00696 
1 1 1 -4  24 29 o 120.8290 13.48455 440.0134       93.92917 344.8147       145.9039 507.3933       122.7486 103.8391 24.37812 129.0173 16.60728 -25.17821      29.49737 
1 1 1 -4  24 30 o 77.92534 19.38556 191.4371       88.23141 297.1522       140.8663 123.1892       113.1835 96.10490 24.82005 66.43990 23.39081 29.66500       34.10521 
1 1 1 -4  24 31 o 187.6185 9.406058 1044.582       103.1683 956.3300       150.8550 1122.126       141.4070 178.0111 14.57738 193.6080 12.52080 -15.59695      19.21641 
1 1 1 -4  24 32 o 97.87772 14.78362 294.4910       82.21964 293.1014       131.8792 295.3746       105.1582 94.90096 23.75307 96.63030 19.23234 -1.729347      30.56290 
1 1 1 -4  24 33 o 42.38269 17.62287 17.47093       72.27971 21.63582       75.28564 -31.58273      258.3725 43.71907 18.06452 69.31115 30.99926 -25.59208      35.87869 
1 1 1 -4  24 34 o 130.0182 10.53976 508.3714       79.67987 515.6041       83.71830 438.7823       259.6803 130.7967 11.01602 109.4023 35.44207 21.39445       37.11459 
1 1 1 -4  24 35 o 208.7836 8.020774 1295.941       98.02899 1326.012       104.2119 1064.843       288.8956 211.0428 8.436697 175.5192 29.08257 35.52351       30.28157 
1 1 1 -4  24 36 o 52.45838 19.74424 70.50768       82.58730 104.0698       86.39612 -285.1585      281.2487 58.90853 20.45734 58.30731 28.04153 0.6012230      34.71067 
1 1 1 -4  24 37 o 155.4391 10.73595 730.5341       97.26914 691.4102       103.0781 1048.594       293.9002 150.7515 11.75159 170.4901 30.51387 -19.73857      32.69856 
1 1 1 -4  24 38 o 36.62303 17.11767 -72.76159      91.19711 -46.54040      95.93775 -318.5849      293.7480 40.00784 18.28856 57.39894 27.85875 -17.39111      33.32538 
1 1 1 -4  24 39 o 76.34834 19.72726 195.9404       88.95964 211.6748       93.33608 39.86336       293.9637 79.22978 20.06801 72.23817 32.62213 6.991615       38.30050 
1 1 1 -4  24 40 o 39.78029 17.99589 -31.02180      89.91921 -28.40926      94.12995 -58.27861      304.0424 40.99606 18.49160 67.31228 31.39357 -26.31622      36.43481 
1 1 1 -4  24 41 o 69.98318 25.05865 167.3528       130.3909 190.8158       142.4571 46.18527       323.7317 73.60957 26.21075 72.77826 33.39070 0.8313141      42.44930 
1 1 1 -4  24 42 o 73.02971 21.90507 187.2237       101.2467 267.7779       151.1400 121.6481       136.3661 84.16386 27.01888 63.76274 25.01015 20.40112       36.81749 
1 1 1 -4  24 43 f 48.38697 20.93118 20.63736       109.0447 77.43922       161.9204 -26.50394      147.5099 60.82205 25.89121 50.30473 22.87254 10.51732       34.54719 
1 1 1 -4  24 44 o 130.4503 18.32534 567.5937       136.3395 463.6824       207.2767 646.8362       181.0082 105.1459 31.29587 134.0944 23.89256 -28.94849      39.37367 
1 1 1 -4  25 1  o 359.5648 9.319984 3804.824       196.3707 3770.441       267.1409 3845.242       289.6419 357.3743 12.76629 360.7204 13.71614 -3.346130      18.73795 
1 1 1 -4  25 2  o 543.3875 10.24973 8689.371       326.6423 8300.391       425.8443 9245.345       509.1126 530.1691 13.70725 558.9998 15.54438 -28.83075      20.72478 
1 1 1 -4  25 3  o 170.2172 19.58729 871.6943       191.9764 871.6943       191.9764 0.000000       0.000000 170.2172 19.58729 ?        ?        0.000000       19.58729 
1 1 1 -4  25 4  o 408.2951 8.727412 4901.478       208.9826 5013.742       287.0763 4774.914       304.8127 412.3071 11.88446 402.1436 12.94098 10.16357       17.57013 
1 1 1 -4  25 5  o 238.9776 10.56316 1684.615       147.6818 1684.615       147.6818 0.000000       0.000000 238.9776 10.56316 ?        ?        0.000000       10.56316 
1 1 1 -4  25 6  o 294.5716 7.093069 2549.195       122.5393 2493.834       145.8471 2682.084       225.9657 291.1093 8.551892 301.2565 12.81886 -10.14713      15.40967 
1 1 1 -4  25 7  o 137.4638 11.84865 561.1021       94.59162 621.8484       112.4697 414.2754       174.8549 144.5253 13.42249 115.1466 26.45009 29.37865       29.66092 
1 1 1 -4  25 8  o 452.7229 7.821637 6024.420       207.6733 6274.146       266.6661 5639.530       331.0582 461.6909 9.848406 436.9387 12.93337 24.75226       16.25617 
1 1 1 -4  25 9  o 227.5036 7.828649 1523.258       104.2985 1581.585       128.1206 1408.662       179.5851 231.6339 9.451036 217.8579 14.13176 13.77597       17.00084 
1 1 1 -4  25 10 o 489.9526 8.209521 7059.022       235.8970 6918.306       287.3308 7349.991       413.1758 484.6951 10.10795 498.3816 14.15019 -13.68646      17.38961 
1 1 1 -4  25 11 o 313.9958 10.15536 2907.019       186.7660 2732.115       290.8823 3029.697       243.6138 303.0458 16.42802 320.0051 13.00770 -16.95926      20.95424 
1 1 1 -4  25 12 o 118.3955 12.79686 418.8072       87.44611 422.3381       108.4012 412.2281       147.9691 118.2840 16.03924 115.3391 22.68346 2.944901       27.78123 
1 1 1 -4  25 13 o 116.2378 13.95000 405.4208       93.20039 375.9364       108.3086 489.5448       182.9476 111.2114 17.15717 125.1074 25.79157 -13.89592      30.97698 
1 1 1 -4  25 14 o 240.1276 11.56354 1705.774       162.3697 1705.774       162.3697 0.000000       0.000000 240.1276 11.56354 ?        ?        0.000000       11.56354 
1 1 1 -4  25 15 o 225.0517 12.39774 1501.085       163.0024 0.000000       0.000000 1501.085       163.0024 ?        ?        225.0517 12.39774 0.000000       12.39774 
1 1 1 -4  25 16 o 376.6513 7.915571 4173.438       174.8526 4241.200       259.9713 4117.464       236.2808 378.7972 11.71630 373.4485 10.79950 5.348694       15.93427 
1 1 1 -4  25 17 o 260.8612 8.279640 2004.519       126.5089 1862.080       177.4179 2151.855       180.4417 250.7596 12.09966 269.7438 11.43196 -18.98422      16.64606 
1 1 1 -4  25 18 o 199.0112 9.220172 1168.938       107.3211 1108.963       148.0150 1235.419       155.8369 193.1755 13.14309 203.9479 13.09793 -10.77237      18.55523 
1 1 1 -4  25 19 o 190.5060 9.834598 1072.304       109.5073 1182.594       154.0737 959.7141       155.6722 199.4998 13.24345 179.2885 14.94067 20.21135       19.96528 
1 1 1 -4  25 20 o 202.9545 9.750222 1216.476       115.7155 1313.198       169.4785 1132.008       158.3778 210.1557 13.82746 195.0318 13.93833 15.12393       19.63354 
1 1 1 -4  25 21 o 371.3100 8.396492 4057.753       182.8458 4322.037       286.4594 3876.047       237.5266 382.0780 12.80189 362.2171 11.19475 19.86087       17.00620 
1 1 1 -4  25 22 o 183.4085 10.14948 994.9017       108.7470 929.4997       160.1762 1050.824       148.1140 176.2045 15.66301 187.8997 13.53125 -11.69518      20.69842 
1 1 1 -4  25 23 o 155.0430 11.23425 713.7027       101.4591 583.7019       150.1769 822.8636       137.6143 138.4355 18.99770 165.9429 14.27888 -27.50737      23.76550 
1 1 1 -4  25 24 o 59.73209 21.03963 95.57705       91.58155 55.39522       144.5041 122.5504       118.3949 62.38420 25.31347 67.49388 23.90874 -5.109676      34.81953 
1 1 1 -4  25 25 o 270.0090 9.569713 2153.998       151.3005 1994.008       200.1186 2367.483       231.1663 258.8850 13.22426 281.8993 14.02640 -23.01428      19.27747 
1 1 1 -4  25 26 f 122.8965 13.27963 453.8432       94.19580 345.2341       157.7096 514.0748       117.4456 103.8985 25.95837 130.3027 15.68351 -26.40416      30.32836 
1 1 1 -4  25 27 f 81.73026 24.78374 208.3280       129.0988 131.5556       148.5366 445.4250       261.0321 71.79298 26.58639 116.2230 35.24098 -44.42999      44.14479 
1 1 1 -4  25 28 o 249.2624 8.329706 1835.025       121.5980 1719.800       174.7616 1943.160       169.2996 240.2400 12.44610 255.7481 11.31539 -15.50806      16.82092 
1 1 1 -4  25 29 o 60.31594 24.27803 60.75886       131.7332 78.72488       149.0708 -3.280988      281.4439 65.05681 25.94856 75.97337 33.23460 -10.91656      42.16476 
1 1 1 -4  25 30 o 91.75152 17.03749 261.9664       88.30467 132.4953       143.3287 341.1776       112.1089 70.74384 26.13092 104.4078 19.00874 -33.66400      32.31342 
1 1 1 -4  25 31 o 210.2886 8.812147 1311.479       108.4387 1414.965       163.9192 1230.947       144.6019 217.0585 12.93530 202.6633 12.22283 14.39522       17.79662 
1 1 1 -4  25 32 o 120.2657 12.03817 437.2292       83.76877 490.5869       133.9904 402.9923       107.3303 124.9241 18.87667 113.9116 16.54970 11.01248       25.10421 
1 1 1 -4  25 33 o 256.7397 7.128803 1951.209       107.2357 1999.312       115.0968 1634.717       295.2301 259.7345 7.563903 225.5763 22.62096 34.15823       23.85205 
1 1 1 -4  25 34 o 142.3107 9.938452 607.8134       82.42681 607.5604       86.76322 610.1555       264.0290 142.0981 10.48495 128.0209 34.42404 14.07721       35.98539 
1 1 1 -4  25 35 o 118.0356 12.50210 425.9602       85.23177 414.0029       89.19806 551.5141       289.0375 116.0217 13.35204 118.3126 37.29355 -2.290886      39.61169 
1 1 1 -4  25 36 o 142.7208 11.20045 617.7438       92.99979 607.2411       97.95669 713.7110       296.1038 141.1783 11.94277 134.0687 36.62749 7.109619       38.52535 
1 1 1 -4  25 37 o 136.1395 12.23132 568.0621       96.61822 628.3226       101.4118 -24.52925      318.0166 143.2482 12.18674 71.77322 32.99031 71.47502       35.16927 
1 1 1 -4  25 38 o 85.52461 18.80875 242.3510       91.76988 264.1461       95.85442 2.839130       317.7581 89.33948 18.88603 72.37656 33.15975 16.96292       38.16086 
1 1 1 -4  25 39 o 64.76035 24.59110 126.8131       128.7700 97.56005       142.2768 259.3095       302.7963 62.31698 25.17859 85.72305 35.88866 -23.40607      43.84014 
1 1 1 -4  25 40 o 115.6308 14.57102 423.3306       96.62359 417.9665       101.4682 475.5138       316.4821 114.3301 15.53425 101.2371 38.52601 13.09303       41.53994 
1 1 1 -4  25 41 o 89.86225 19.30466 273.7391       98.70442 297.3021       102.4863 -27.97384      366.7302 93.76395 19.28140 71.65182 33.75353 22.11212       38.87252 
1 1 1 -4  25 42 o 142.1222 14.05869 638.3686       115.6474 655.3318       161.0972 620.3314       166.1186 138.8199 20.39487 133.6069 21.96261 5.213028       29.97178 
1 1 1 -4  25 43 o 48.87465 21.52502 9.118565       119.8762 -27.35428      174.9025 41.43090       164.6249 53.88447 24.65517 57.74345 25.33462 -3.858978      35.35138 
1 1 1 -4  25 44 o 113.4899 21.92325 455.6726       140.6370 299.7947       206.2421 591.1504       192.2734 84.44685 31.31762 124.1241 27.16843 -39.67724      41.45982 
1 1 1 -4  26 1  o 371.5206 8.582432 4059.076       187.0009 4059.076       187.0009 0.000000       0.000000 371.5206 8.582432 ?        ?        0.000000       8.582432 
1 1 1 -4  26 2  o 439.7540 9.758716 5691.836       251.6825 5901.349       365.0413 5502.003       347.4738 446.6989 13.95113 431.3573 13.75276 15.34167       19.59011 
1 1 1 -4  26 3  o 468.4413 9.992545 6460.084       274.5250 6121.247       368.7911 6881.173       411.1234 454.9674 13.83741 482.1942 14.55449 -27.22678      20.08251 
1 1 1 -4  26 4  o 256.3191 8.560428 1934.340       128.5042 1934.340       128.5042 0.000000       0.000000 256.3191 8.560428 ?        ?        0.000000       8.560428 
1 1 1 -4  26 5  f 267.7549 8.501158 2110.596       133.3262 2062.987       167.5131 2192.883       220.2252 264.3907 10.82609 272.0580 13.84796 -7.667297      17.57755 
1 1 1 -4  26 6  o 86.49294 17.39498 229.8436       85.17671 139.3819       98.30956 502.2040       170.5829 68.72924 21.76081 127.4757 23.68871 -58.74648      32.16656 
1 1 1 -4  26 7  o 77.79500 17.99326 186.9766       80.45885 247.1801       92.47943 -0.5024441     163.1964 89.61347 18.21781 60.40083 25.86003 29.21265       31.63273 
1 1 1 -4  26 8  o 149.7956 10.61643 664.5000       92.66268 767.1810       110.2620 417.6289       170.9683 160.8385 11.77071 115.4917 25.88359 45.34681       28.43431 
1 1 1 -4  26 9  o 68.42455 19.56597 143.0781       82.46171 109.9915       96.76548 230.8391       157.5961 63.17175 21.66287 87.50172 27.53190 -24.32998      35.03263 
1 1 1 -4  26 10 o 372.0488 7.103501 4068.648       154.9968 4209.267       205.3185 3882.332       236.3372 378.1106 9.258887 362.6393 11.12553 15.47125       14.47426 
1 1 1 -4  26 11 f 479.7527 7.562889 6767.901       212.7922 6897.606       283.7248 6601.142       321.7088 483.8297 9.998947 472.9250 11.59899 10.90463       15.31390 
1 1 1 -4  26 12 o 173.9124 10.89855 895.5470       110.6015 941.3096       117.3072 529.2563       331.8808 178.2576 11.27869 128.7146 39.87117 49.54292       41.43572 
1 1 1 -4  26 13 o 135.8615 13.55837 551.5626       106.5914 466.6607       114.1920 1126.408       297.1342 124.3611 16.02909 190.7108 27.34757 -66.34969      31.69892 
1 1 1 -4  26 14 o 252.7840 7.643463 1881.110       113.1856 1726.395       145.5625 2117.703       180.0049 241.7665 10.28956 267.5847 11.49707 -25.81819      15.42912 
1 1 1 -4  26 15 o 255.1325 9.003500 1919.128       134.5074 1940.832       169.7620 1882.521       220.4702 256.1718 11.32750 251.4763 15.01706 4.695496       18.81021 
1 1 1 -4  26 16 o 387.8736 11.47461 4445.409       260.7360 0.000000       0.000000 4445.409       260.7360 ?        ?        387.8736 11.47461 0.000000       11.47461 
1 1 1 -4  26 17 o 264.3822 8.779426 2060.022       135.9396 1954.389       187.5988 2176.815       197.2601 256.8409 12.49165 271.1055 12.43969 -14.26465      17.62916 
1 1 1 -4  26 18 o 460.1778 8.869110 6234.661       239.3626 6612.117       378.3915 5982.859       309.0560 472.4126 13.67182 449.9688 11.72126 22.44382       18.00852 
1 1 1 -4  26 19 o 238.5983 9.197951 1679.089       128.4679 1775.240       184.7447 1589.062       178.7651 244.6681 12.92071 231.3824 13.22865 13.28566       18.49167 
1 1 1 -4  26 20 o 81.03780 21.81274 204.1304       105.9449 144.3658       146.9734 268.7758       152.8572 74.06947 26.59450 92.83382 26.66864 -18.76434      37.66277 
1 1 1 -4  26 21 o 36.85784 17.45910 -117.7054      100.6640 -121.3186      144.2089 -114.2717      140.5813 46.88965 21.78487 46.58492 21.59706 0.3047295      30.67595 
1 1 1 -4  26 22 o 102.3038 17.97001 321.5033       103.8857 418.5695       153.5037 239.4776       141.1106 115.6531 23.43516 87.72993 25.74777 27.92314       34.81601 
1 1 1 -4  26 23 o 451.0257 8.845973 5995.223       233.9901 6262.429       369.4092 5816.181       302.3867 459.1498 13.73382 443.2791 11.64156 15.87070       18.00399 
1 1 1 -4  26 24 o 458.8637 8.954953 6209.636       240.9892 6738.140       393.9771 5893.673       304.6244 475.7768 14.13510 446.0097 11.65580 29.76706       18.32100 
1 1 1 -4  26 25 o 161.3268 11.16833 774.1492       105.0162 806.9612       169.3818 753.6607       133.8461 162.9307 18.02729 158.3811 14.57286 4.549652       23.18084 
1 1 1 -4  26 26 o 285.4635 8.487320 2405.998       141.9349 2458.000       218.9337 2368.295       186.4169 287.2145 13.03133 282.4799 11.27510 4.734558       17.23204 
1 1 1 -4  26 27 o 242.8389 8.801052 1743.341       125.1366 1743.383       188.0230 1743.307       167.6619 241.5888 13.32196 242.0457 11.84698 -0.4568939     17.82767 
1 1 1 -4  26 28 o 278.9923 8.675226 2301.216       141.7736 2188.034       212.9368 2391.340       190.0122 270.4857 13.46554 283.5580 11.44941 -13.07227      17.67511 
1 1 1 -4  26 29 o 71.55589 25.42517 145.0864       133.9794 174.2067       149.2041 23.84326       304.4467 76.97661 26.87449 79.73388 34.72845 -2.757271      43.91245 
1 1 1 -4  26 30 o 122.6794 12.97491 455.2695       91.93964 199.6433       144.4810 629.2195       119.1846 79.92734 26.46848 144.0041 14.30096 -64.07680      30.08485 
1 1 1 -4  26 31 o 224.6990 8.335711 1497.730       109.6581 1469.037       160.4899 1522.856       150.1827 220.9894 12.43314 225.4637 11.39470 -4.474380      16.86482 
1 1 1 -4  26 32 f 146.2670 10.65793 642.6956       90.79866 550.3825       143.2253 704.7267       117.4068 131.8671 19.07298 152.2213 13.28420 -20.35420      23.24325 
1 1 1 -4  26 33 o 158.4514 8.853083 749.3706       81.94279 781.1428       85.72953 413.3683       278.7905 161.7139 9.075671 105.2994 36.73753 56.41450       37.84196 
1 1 1 -4  26 34 o 174.5992 8.971379 911.0239       91.55739 902.4874       96.01667 996.5752       303.9632 173.5930 9.466967 165.8113 32.41989 7.781616       33.77384 
1 1 1 -4  26 35 o 134.0300 11.37725 545.6112       88.58707 512.7258       92.24393 935.8784       317.7735 129.5290 12.28987 156.0065 35.52923 -26.47742      37.59478 
1 1 1 -4  26 36 o 44.84605 18.88296 20.55026       84.57352 29.83783       88.56527 -75.56977      284.9177 46.89232 19.50350 66.39848 30.77005 -19.50616      36.43052 
1 1 1 -4  26 37 o 212.4727 8.672369 1352.544       107.8394 1348.903       113.4101 1386.900       348.3642 211.9343 9.145840 191.9831 32.07045 19.95119       33.34906 
1 1 1 -4  26 38 o 82.93020 19.37612 230.7872       92.53142 216.5016       96.44179 396.3105       328.2808 79.77911 20.50228 96.46017 38.49606 -16.68106      43.61526 
1 1 1 -4  26 39 o 100.4990 17.24095 330.0657       97.96144 340.8170       102.9702 227.5490       317.9639 101.7617 17.90708 82.94872 35.81158 18.81303       40.03914 
1 1 1 -4  26 40 o 122.6531 14.58322 477.3724       102.8503 469.7892       107.3374 562.4241       359.4736 121.1105 15.46418 104.7998 40.75067 16.31068       43.58622 
1 1 1 -4  26 41 o 57.97281 21.69620 102.1483       99.42329 137.8580       103.0733 -375.4417      376.9472 64.02621 22.33798 61.11415 30.05917 2.912067       37.45049 
1 1 1 -4  26 42 o 64.69044 23.78680 140.3940       118.5404 371.5519       160.1006 -140.0963      176.3590 98.17167 26.97815 47.61083 22.71045 50.56084       35.26450 
1 1 1 -4  26 43 o 81.91773 24.62874 250.9799       127.8788 100.4100       183.2120 394.0212       178.5729 64.30238 27.46190 98.83805 28.95278 -34.53568      39.90513 
1 1 1 -4  27 1  o 491.5804 10.19660 7118.624       293.9683 7234.064       415.5295 7002.955       415.9386 494.2433 14.35062 486.1928 14.60369 8.050476       20.47457 
1 1 1 -4  27 2  o 192.2043 9.586359 1090.379       107.7195 1090.379       107.7195 0.000000       0.000000 192.2043 9.586359 ?        ?        0.000000       9.586359 
1 1 1 -4  27 3  o 115.8607 14.69739 403.6017       97.62401 403.6017       97.62401 0.000000       0.000000 115.8607 14.69739 ?        ?        0.000000       14.69739 
1 1 1 -4  27 4  o 506.4990 10.01862 7557.084       297.6028 8010.976       429.6712 7138.552       412.5957 520.1461 14.09812 490.9008 14.34652 29.24530       20.11416 
1 1 1 -4  27 5  o 220.5063 9.188407 1433.830       118.5657 1433.830       118.5657 0.000000       0.000000 220.5063 9.188407 ?        ?        0.000000       9.188407 
1 1 1 -4  27 6  o 185.9841 9.068631 1020.638       98.61816 909.4524       111.4282 1422.519       211.8456 175.2858 10.89305 218.2126 16.67989 -42.92682      19.92178 
1 1 1 -4  27 7  o 50.05514 19.45768 47.54178       81.93639 87.33956       92.83203 -92.77090      174.3078 58.65780 21.12652 55.02534 24.95757 3.632458       32.69878 
1 1 1 -4  27 8  o 205.6896 8.537492 1247.169       102.7657 1327.191       124.8435 1078.997       180.9842 211.9841 10.07061 189.8997 16.41137 22.08443       19.25487 
1 1 1 -4  27 9  o 297.0332 7.530243 2596.110       131.0733 2712.088       160.3644 2362.699       227.4999 303.3748 9.023204 282.2026 13.78752 21.17227       16.47768 
1 1 1 -4  27 10 o 346.9259 7.272394 3538.755       147.9669 3635.770       190.1114 3389.677       235.6644 351.2433 9.236909 338.5844 11.88641 12.65891       15.05348 
1 1 1 -4  27 11 o 109.4149 17.05098 364.3447       105.8500 388.4520       110.5637 99.56747       366.4192 113.0122 17.22539 94.51054 39.51731 18.50161       43.10838 
1 1 1 -4  27 12 o 298.3597 7.204381 2617.349       126.0629 2523.547       158.0482 2781.387       209.0056 292.5721 9.222506 306.6929 11.64107 -14.12073      14.85157 
1 1 1 -4  27 13 o 199.0252 10.77640 1171.891       125.3168 1171.503       134.9600 1174.319       337.5883 198.8493 11.62327 193.3882 30.79694 5.461014       32.91735 
1 1 1 -4  27 14 f 436.1383 7.357817 5593.461       188.2018 5535.315       249.8935 5669.665       286.0757 433.3916 9.831596 438.1721 11.14136 -4.780548      14.85901 
1 1 1 -4  27 15 o 225.6571 8.748323 1501.292       115.5582 1352.857       140.9678 1805.385       201.7698 213.8017 11.28232 246.5016 14.01454 -32.69995      17.99161 
1 1 1 -4  27 16 o 278.7381 10.26569 2293.630       167.5300 2348.714       211.1472 2200.027       275.2417 281.5475 12.82107 271.2881 17.39107 10.25943       21.60623 
1 1 1 -4  27 17 o 374.7584 8.560893 4133.792       188.1572 3629.981       254.3427 4742.816       279.6420 350.2477 12.40165 400.5424 11.91754 -50.29465      17.19967 
1 1 1 -4  27 18 o 81.56123 22.21324 206.6731       109.1039 119.3235       142.4295 330.7148       169.7280 70.15766 26.02422 102.4082 27.62778 -32.25050      37.95463 
1 1 1 -4  27 19 o 135.1951 14.28018 547.7426       111.5168 615.4088       150.8733 466.2558       165.5658 142.4206 18.49971 122.2474 23.95001 20.17316       30.26289 
1 1 1 -4  27 20 o 136.2566 13.71246 555.7189       108.0895 615.4594       147.5021 486.4316       158.8513 142.4620 18.05944 125.2335 22.45299 17.22846       28.81458 
1 1 1 -4  27 21 o 190.0161 10.41645 1069.048       115.6369 918.6993       160.0835 1233.100       167.2203 174.9771 15.76865 203.3371 14.10990 -28.35997      21.15986 
1 1 1 -4  27 22 o 470.3058 8.940598 6520.805       246.6024 6449.241       371.7357 6577.051       329.5583 465.8907 13.61965 471.2028 11.93503 -5.312042      18.10912 
1 1 1 -4  27 23 f 152.2108 12.63258 691.9399       111.7536 581.6472       168.1426 779.2126       149.5698 136.9909 21.64665 160.7250 16.08337 -23.73405      26.96762 
1 1 1 -4  27 24 o 186.3033 10.52728 1029.940       114.5557 997.9911       171.7254 1055.558       153.7701 181.8992 16.26888 187.7560 14.06683 -5.856796      21.50703 
1 1 1 -4  27 25 o 135.9496 13.13496 554.7625       103.4240 701.0260       163.3213 456.8417       133.6326 151.3125 18.80908 121.5316 19.40072 29.78085       27.02164 
1 1 1 -4  27 26 o 178.4206 10.50089 945.8954       109.3949 674.8737       163.5357 1165.389       147.1707 148.1375 19.28039 197.5169 12.77325 -49.37949      23.12767 
1 1 1 -4  27 27 o 104.8800 16.53758 338.5645       98.35588 253.6044       165.8197 384.6805       122.1672 89.43003 28.25473 111.0303 19.47086 -21.60032      34.31391 
1 1 1 -4  27 28 o 48.99875 22.23395 -66.26147      138.5258 -149.4619      155.8236 247.3082       302.5083 46.85987 22.05211 95.83202 37.34891 -48.97215      43.37323 
1 1 1 -4  27 29 o 80.05949 25.71872 202.9737       136.9276 200.2652       153.7988 213.3273       300.6975 80.42882 27.31667 91.83828 36.77864 -11.40946      45.81341 
1 1 1 -4  27 30 o 142.8846 11.29089 613.6110       93.84743 735.4838       154.0797 541.7325       118.3290 154.1144 17.34814 132.7679 15.48714 21.34650       23.25531 
1 1 1 -4  27 31 o 74.35094 18.16493 177.6283       78.52083 160.5107       138.1203 185.8022       95.44447 72.66905 25.81566 75.56242 20.85570 -2.893364      33.18747 
1 1 1 -4  27 32 o 118.0574 12.48715 424.9902       85.14949 329.2848       140.7667 480.2162       106.9310 98.74000 24.44080 124.5930 14.93089 -25.85304      28.64060 
1 1 1 -4  27 33 o 95.63585 14.40579 284.9828       78.29372 307.4440       80.88898 -48.29851      311.5861 99.44939 14.27760 72.00462 32.93168 27.44476       35.89353 
1 1 1 -4  27 34 o 146.6325 10.54290 649.2117       90.06001 675.2457       94.46342 389.3367       298.4526 149.4304 10.85286 100.5104 37.59561 48.91999       39.13073 
1 1 1 -4  27 35 f 51.86343 19.87147 67.58651       84.56935 69.39960       87.90526 45.04889       309.9261 52.63912 20.23641 74.90591 33.69052 -22.26679      39.30093 
1 1 1 -4  27 36 o 105.8898 14.73277 353.1301       89.01871 351.2092       92.76040 375.5100       316.6196 105.2261 15.49437 96.32925 38.01011 8.896851       41.04685 
1 1 1 -4  27 37 o 84.59556 17.78774 235.5661       85.44653 273.8587       87.56089 -528.7258      391.1854 91.84300 16.87776 60.46481 29.90477 31.37819       34.33881 
1 1 1 -4  27 38 o 146.9031 11.28013 661.0015       96.44065 673.6058       99.50656 465.8651       391.5280 148.1570 11.54297 98.92182 41.06395 49.23519       42.65545 
1 1 1 -4  27 39 o 88.95154 19.53164 268.7494       99.09625 248.9470       103.0356 512.9644       361.8379 84.76458 20.86820 101.1906 40.40513 -16.42603      45.47589 
1 1 1 -4  27 40 o 101.2083 25.41084 378.5034       150.5905 458.3484       164.8851 -23.01667      369.7524 111.4323 25.74745 71.64375 33.79340 39.78850       42.48441 
1 1 1 -4  27 41 o 152.5532 12.44449 724.9821       110.3730 753.3321       115.3984 420.5846       378.1323 155.2739 12.78534 91.82560 39.34001 63.44828       41.36546 
1 1 1 -4  27 42 o 71.43980 27.08152 182.6353       156.0130 160.7957       169.0123 308.4490       405.6583 69.36163 27.64157 85.22915 38.42045 -15.86752      47.33062 
1 1 1 -4  28 1  o 340.9832 9.917226 3428.717       198.1126 3070.526       252.2130 4005.764       320.1223 321.9119 13.38841 367.3222 14.89085 -45.41034      20.02465 
1 1 1 -4  28 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  28 3  o 317.7420 13.52849 2992.455       251.5241 2992.455       251.5241 0.000000       0.000000 317.7420 13.52849 ?        ?        0.000000       13.52849 
1 1 1 -4  28 4  o 221.1733 9.367293 1443.232       121.2308 1443.232       121.2308 0.000000       0.000000 221.1733 9.367293 ?        ?        0.000000       9.367293 
1 1 1 -4  28 5  o 445.7683 12.81062 5879.437       334.5641 5879.437       334.5641 0.000000       0.000000 445.7683 12.81062 ?        ?        0.000000       12.81062 
1 1 1 -4  28 6  o 187.2108 10.94014 1037.418       119.5936 1037.418       119.5936 0.000000       0.000000 187.2108 10.94014 ?        ?        0.000000       10.94014 
1 1 1 -4  28 7  o 91.90729 17.91799 260.0498       93.10934 306.7546       105.3111 92.80992       199.2798 99.85478 18.66889 74.66780 29.92764 25.18698       35.27309 
1 1 1 -4  28 8  o 123.5998 14.64117 459.0047       104.0727 479.7419       121.3514 401.3397       202.3604 125.9242 16.85467 112.4284 30.09533 13.49580       34.49361 
1 1 1 -4  28 9  o 121.6193 32.12390 473.0552       232.5017 473.0552       232.5017 0.000000       0.000000 121.6193 32.12390 ?        ?        0.000000       32.12390 
1 1 1 -4  28 10 o 424.7378 9.318757 5313.888       232.1290 5853.901       408.8625 5057.030       281.9818 443.6926 15.73740 413.6681 11.63456 30.02454       19.57112 
1 1 1 -4  28 11 o 236.3827 16.92611 1670.834       233.0985 1673.742       287.1327 1665.213       399.1991 235.3692 21.02197 231.2755 30.14825 4.093643       36.75378 
1 1 1 -4  28 12 o 219.3844 8.684031 1419.016       111.5113 1296.212       135.1020 1681.495       197.5158 209.3034 11.04524 237.8138 14.22670 -28.51039      18.01100 
1 1 1 -4  28 13 o 334.3571 8.998011 3294.195       176.2839 3127.502       191.1794 4240.584       455.5320 325.5904 10.02390 375.6202 20.75925 -50.02979      23.05266 
1 1 1 -4  28 14 o 363.0805 7.977811 3878.262       169.8781 3505.595       210.5876 4572.621       287.4513 344.6444 10.43064 393.1304 12.48326 -48.48593      16.26745 
1 1 1 -4  28 15 o 267.5001 10.35279 2112.942       162.1105 1987.295       192.7763 2416.354       299.5663 258.9482 12.73280 284.1430 18.07014 -25.19476      22.10552 
1 1 1 -4  28 16 o 415.7171 10.26425 5095.815       250.2509 5811.596       483.1801 4833.425       292.5453 440.7603 18.73474 404.1898 12.35571 36.57053       22.44224 
1 1 1 -4  28 17 o 303.9106 10.59475 2728.150       188.5482 2823.622       225.5210 2506.452       343.6621 308.7590 12.47994 288.4297 20.44873 20.32935       23.95620 
1 1 1 -4  28 18 o 420.3407 8.775175 5203.916       216.3255 5184.387       310.7508 5222.277       301.3277 418.3692 12.67954 420.0375 12.24516 -1.668335      17.62710 
1 1 1 -4  28 19 o 467.4720 8.948936 6439.471       245.3451 6361.009       364.3774 6504.546       331.8412 463.0177 13.43268 468.7398 12.08120 -5.722046      18.06633 
1 1 1 -4  28 20 o 250.4394 9.021971 1851.256       132.2953 1742.925       182.3053 1971.766       192.2806 242.1658 12.88254 257.6445 12.76493 -15.47874      18.13569 
1 1 1 -4  28 21 f 196.8125 10.62868 1148.215       122.2274 1284.936       176.8134 1023.085       169.1522 207.2667 14.63992 184.5259 15.78176 22.74083       21.52652 
1 1 1 -4  28 22 o 56.43897 22.60687 51.92511       113.6349 55.11890       167.6907 49.21318       154.5236 65.70773 27.03599 63.04966 25.94868 2.658062       37.47370 
1 1 1 -4  28 23 o 369.7441 8.653728 4033.445       187.6528 4148.364       285.4733 3946.008       249.0102 373.3070 13.05925 364.6307 11.65929 8.676239       17.50666 
1 1 1 -4  28 24 o 205.7728 9.802349 1254.730       117.9555 1251.589       179.7535 1257.106       156.3191 204.0574 15.12775 205.1441 13.06062 -1.086731      19.98571 
1 1 1 -4  28 25 o 215.2630 9.516115 1372.735       119.8409 1281.275       180.2087 1445.254       160.4654 206.3986 14.98954 220.0937 12.48267 -13.69504      19.50649 
1 1 1 -4  28 26 f 151.8364 12.02081 690.0327       106.1706 678.8183       168.2608 697.4514       136.8543 148.0520 19.88040 151.6176 15.61367 -3.565643      25.27879 
1 1 1 -4  28 27 o 241.5782 12.10869 1743.834       171.0089 1854.850       202.5902 1468.673       318.9476 248.4143 13.96184 214.6435 25.85698 33.77083       29.38565 
1 1 1 -4  28 28 o 133.9517 11.67305 539.3596       90.78790 507.1762       162.3347 554.0071       109.5163 125.6918 22.86387 135.0521 14.03124 -9.360374      26.82596 
1 1 1 -4  28 29 o 133.1279 11.59564 534.0573       89.63204 474.0933       152.3349 565.8096       110.8514 121.1464 22.26074 136.2136 14.07886 -15.06722      26.33922 
1 1 1 -4  28 30 o 41.01835 17.66127 0.5314879      76.93136 -131.5577      138.8949 58.98806       92.39945 43.83441 20.68699 52.51891 20.59100 -8.684498      29.18802 
1 1 1 -4  28 31 f 178.0300 9.673060 948.6323       100.6174 763.9487       157.3414 1076.411       130.8753 156.1162 17.48483 188.7212 11.88496 -32.60500      21.14170 
1 1 1 -4  28 32 o 44.25583 18.29417 25.08523       77.25708 -135.8945      139.7212 95.97787       92.72079 43.41022 20.56472 58.12931 21.08966 -14.71908      29.45643 
1 1 1 -4  28 33 o 58.73311 24.00073 67.12759       131.0046 101.0627       144.2862 -92.16014      312.6018 64.31350 25.56921 69.29880 32.15424 -4.985298      41.08138 
1 1 1 -4  28 34 o 136.3173 11.08865 564.8213       87.88528 589.6506       91.43353 263.4124       318.5676 139.2073 11.29634 89.08213 37.01530 50.12513       38.70065 
1 1 1 -4  28 35 o 130.8458 11.85101 524.5103       89.95710 570.2853       93.63567 -23.97404      324.1223 136.4929 11.81335 71.78706 33.10827 64.70583       35.15271 
1 1 1 -4  28 36 o 60.12939 20.47545 115.4067       86.41710 99.14162       89.49558 339.7020       332.3411 57.40183 20.73429 92.42762 38.04875 -35.02579      43.33149 
1 1 1 -4  28 37 o 66.11694 20.48812 147.4484       87.62396 154.5878       89.70822 -0.8602236     408.8700 67.51913 20.69649 76.43783 35.89283 -8.918694      41.43235 
1 1 1 -4  28 38 o 41.73659 18.51688 -10.74790      90.29507 -49.89418      93.05372 620.2725       373.6028 38.56919 17.77075 108.9154 41.75757 -70.34617      45.38165 
1 1 1 -4  28 39 o 95.52924 17.65678 302.6192       95.28028 278.1085       99.10790 601.6820       346.1880 90.52323 19.26030 108.0732 40.47714 -17.54995      44.82586 
1 1 1 -4  28 40 o 158.9342 11.86142 782.1103       109.7644 753.6303       115.4013 1052.455       355.5495 155.3460 12.77951 147.7825 40.03762 7.563553       42.02769 
1 1 1 -4  28 41 o 127.1110 22.50384 571.0826       161.6223 495.2769       176.0194 978.4366       408.0332 114.0264 26.78035 129.7334 44.48410 -15.70702      51.92323 
1 1 1 -4  29 1  o 298.3305 10.91684 2629.246       190.6831 2516.635       245.8987 2799.100       301.9984 291.0528 14.45088 306.2841 16.87764 -15.23132      22.21897 
1 1 1 -4  29 2  o 416.1004 10.29347 5104.753       251.1948 5072.753       339.5704 5143.427       373.3076 413.6084 14.01903 416.0342 15.32605 -2.425812      20.77068 
1 1 1 -4  29 3  o 572.9441 11.36546 9690.004       381.8999 10150.61       555.3138 9276.668       526.0497 584.1884 16.22392 558.5263 16.07625 25.66211       22.83991 
1 1 1 -4  29 4  o 318.1275 11.25177 2990.768       209.5984 2990.768       209.5984 0.000000       0.000000 318.1275 11.25177 ?        ?        0.000000       11.25177 
1 1 1 -4  29 5  o 421.5930 9.298601 5235.360       229.9120 4818.407       281.3249 6073.886       398.9538 403.7137 11.89482 452.2272 15.06336 -48.51358      19.19353 
1 1 1 -4  29 6  o 291.8737 11.29248 2518.255       192.9367 2518.255       192.9367 0.000000       0.000000 291.8737 11.29248 ?        ?        0.000000       11.29248 
1 1 1 -4  29 7  o 487.9449 10.22728 7019.391       292.6722 7019.391       292.6722 0.000000       0.000000 487.9449 10.22728 ?        ?        0.000000       10.22728 
1 1 1 -4  29 8  o 66.86626 29.73865 -68.45053      234.3384 -68.45053      234.3384 0.000000       0.000000 66.86626 29.73865 ?        ?        0.000000       29.73865 
1 1 1 -4  29 9  o 263.3878 8.618378 2044.214       132.9495 1988.438       153.5411 2211.333       265.7731 259.5284 10.10695 272.1665 16.73131 -12.63818      19.54705 
1 1 1 -4  29 10 o 402.1567 7.866698 4757.571       185.5403 4864.515       235.2646 4581.625       301.7659 406.2825 9.873658 393.3383 13.09965 12.94421       16.40396 
1 1 1 -4  29 11 o 169.0229 13.65364 851.0601       134.1947 923.8393       141.8420 230.1940       414.2860 176.1080 13.84456 107.5545 43.13661 68.55351       45.30385 
1 1 1 -4  29 12 o 415.8922 10.03738 5098.178       244.8227 5071.330       418.4559 5112.151       301.8819 412.3554 17.34196 415.7225 12.39562 -3.367126      21.31654 
1 1 1 -4  29 13 o 339.1843 9.655224 3392.605       191.8697 3434.172       209.4243 3175.379       478.7477 341.0874 10.48158 322.7680 25.49796 18.31934       27.56826 
1 1 1 -4  29 14 o 297.8190 10.21193 2618.286       178.1016 2478.004       218.1880 2898.396       308.3145 289.1464 12.89904 311.5942 16.93517 -22.44785      21.28814 
1 1 1 -4  29 15 o 379.4660 12.59597 4263.723       279.9322 0.000000       0.000000 4263.723       279.9322 ?        ?        379.4660 12.59597 0.000000       12.59597 
1 1 1 -4  29 16 o 242.7396 13.62788 1751.542       193.2289 1140.446       393.0670 1946.283       221.8918 187.2825 37.09886 255.5970 14.86666 -68.31447      39.96677 
1 1 1 -4  29 17 o 105.8176 19.88762 346.4712       118.8916 174.3981       149.8586 638.7307       195.3031 78.33189 26.95513 143.3323 24.08694 -65.00044      36.14914 
1 1 1 -4  29 18 o 459.5855 9.032303 6226.209       243.4531 6413.293       366.8081 6078.912       325.4753 464.7700 13.47128 452.9610 12.26327 11.80899       18.21711 
1 1 1 -4  29 19 o 401.6729 8.794341 4756.469       207.1698 4949.332       308.6254 4598.291       279.4997 408.2871 12.90510 393.8168 12.11584 14.47031       17.70127 
1 1 1 -4  29 20 o 67.32090 23.17971 127.9870       110.8245 217.7943       147.9784 13.27490       167.2426 84.18360 26.70325 61.66230 26.28319 22.52131       37.46825 
1 1 1 -4  29 21 o 237.6542 9.741540 1671.475       135.4884 1691.596       193.0824 1651.956       190.1698 237.9668 13.89535 235.1671 13.84973 2.799683       19.61876 
1 1 1 -4  29 22 o 285.8756 9.303593 2416.515       155.7757 2435.805       225.8547 2399.014       215.1360 285.7081 13.51728 283.7346 12.96281 1.973450       18.72835 
1 1 1 -4  29 23 o 71.82910 22.85788 156.9182       108.3545 -53.63744      166.3914 311.9514       142.7775 55.65852 24.88612 98.63238 24.73093 -42.97385      35.08472 
1 1 1 -4  29 24 o 108.6667 17.15052 363.8462       105.6797 509.5088       173.4924 277.9154       133.2542 126.4796 24.27134 93.06858 24.19298 33.41100       34.26950 
1 1 1 -4  29 25 o 342.7423 8.594129 3473.692       172.6145 3263.507       251.7208 3660.260       237.1572 330.4235 13.01512 350.6624 11.54753 -20.23892      17.39939 
1 1 1 -4  29 26 o 114.2204 14.42234 397.5793       94.46195 317.0673       165.8239 436.2567       114.9332 98.09522 27.64456 118.9160 16.95991 -20.82080      32.43240 
1 1 1 -4  29 27 o 76.35463 18.95086 186.0551       84.46233 12.98282       151.5400 264.0487       101.7286 57.79638 24.83522 90.95169 19.64646 -33.15531      31.66657 
1 1 1 -4  29 28 o 110.2627 13.80007 372.2917       87.29127 89.76781       152.0440 511.2012       106.6124 65.35992 26.16016 129.2658 14.30177 -63.90592      29.81433 
1 1 1 -4  29 29 o 67.70726 18.97238 147.3769       78.33712 102.4705       144.6683 166.0068       93.18036 65.51180 25.74102 71.58680 20.89888 -6.075005      33.15665 
1 1 1 -4  29 30 o 39.83868 19.05128 -149.5140      125.7799 -131.6855      138.1109 -236.1932      304.5283 43.46906 20.54889 63.36481 30.11687 -19.89576      36.45933 
1 1 1 -4  29 31 o 189.5303 9.332613 1074.888       103.4177 1093.941       165.0930 1062.583       132.6744 188.2269 15.08143 187.1462 12.15377 1.080765       19.36915 
1 1 1 -4  29 32 o 203.4731 9.179921 1239.488       109.2639 1119.467       175.2417 1315.823       139.7557 189.4930 15.91556 208.4678 11.47515 -18.97481      19.62102 
1 1 1 -4  29 33 o 52.07732 19.63326 71.30042       81.73661 257.8607       155.7782 0.4265525      96.01523 85.17733 27.43846 44.81371 19.51109 40.36362       33.66825 
1 1 1 -4  29 34 o 178.1449 9.444963 955.1875       98.32626 967.7043       103.7565 844.9103       307.9713 179.0762 9.918054 143.7532 36.47605 35.32309       37.80040 
1 1 1 -4  29 35 o 99.81066 15.72869 318.4962       89.02599 320.2051       92.30775 295.7359       336.8698 99.76865 16.34109 89.45595 37.67753 10.31270       41.06857 
1 1 1 -4  29 36 o 83.68098 18.45831 233.7012       88.15165 227.6352       90.55893 343.2692       384.8784 82.22215 19.13952 91.64510 39.48183 -9.422943      43.87637 
1 1 1 -4  29 37 o 81.42019 19.69868 226.3026       93.03195 249.2419       95.96378 -132.0051      379.2668 85.62349 19.54226 69.09282 33.05201 16.53067       38.39708 
1 1 1 -4  29 38 o 59.73244 20.93739 115.7516       90.61710 86.90385       93.63569 541.6585       359.7849 55.09988 20.95864 102.4958 40.49497 -47.39596      45.59723 
1 1 1 -4  29 39 o 114.8742 15.43730 425.5361       101.3725 488.6981       105.8582 -272.7140      351.9671 123.5636 14.90873 61.50480 29.99601 62.05885       33.49673 
1 1 1 -4  29 40 o 104.2247 18.77165 367.2213       110.5228 375.3657       115.2274 273.5490       390.7796 104.9063 19.44438 83.48267 37.66431 21.42360       42.38731 
1 1 1 -4  29 41 o 62.22650 22.78813 129.5931       108.6208 125.6711       112.3315 186.0309       426.1219 61.81066 23.07595 79.40919 37.07842 -17.59853      43.67274 
1 1 1 -4  30 1  o 820.9849 20.89227 20219.35       1005.121 20219.35       1005.121 0.000000       0.000000 820.9849 20.89227 ?        ?        0.000000       20.89227 
1 1 1 -4  30 2  o 578.7341 11.01329 9882.633       373.8063 9882.633       373.8063 0.000000       0.000000 578.7341 11.01329 ?        ?        0.000000       11.01329 
1 1 1 -4  30 3  o 347.0467 9.124804 3549.292       185.5603 3549.292       185.5603 0.000000       0.000000 347.0467 9.124804 ?        ?        0.000000       9.124804 
1 1 1 -4  30 4  o 146.1901 15.15174 640.5824       128.0252 640.5824       128.0252 0.000000       0.000000 146.1901 15.15174 ?        ?        0.000000       15.15174 
1 1 1 -4  30 5  o 48.76386 20.99599 -6.473125      108.7229 -13.22352      120.0095 24.43560       256.7980 50.54733 21.91179 76.62018 32.61078 -26.07285      39.28854 
1 1 1 -4  30 6  o 427.5658 15.39711 5432.435       385.4633 0.000000       0.000000 5432.435       385.4633 ?        ?        427.5658 15.39711 0.000000       15.39711 
1 1 1 -4  30 7  o 34.57084 17.20008 -339.7802      136.9736 -339.7802      136.9736 0.000000       0.000000 34.57084 17.20008 ?        ?        0.000000       17.20008 
1 1 1 -4  30 8  o 56.37828 22.99266 39.22624       119.9392 94.09886       132.1609 -216.9691      285.5689 65.43325 24.89720 66.33280 30.76232 -0.8995514     39.57513 
1 1 1 -4  30 9  o 260.5975 11.51252 2008.764       175.5166 2008.764       175.5166 0.000000       0.000000 260.5975 11.51252 ?        ?        0.000000       11.51252 
1 1 1 -4  30 10 o 228.8430 10.24562 1547.089       137.1588 1564.625       159.2789 1496.780       269.7870 229.8528 11.85572 222.4951 20.92071 7.357758       24.04650 
1 1 1 -4  30 11 f 375.4361 8.296222 4148.298       182.6699 4346.265       234.2153 3840.888       291.8629 383.7507 10.41640 359.8342 13.85601 23.91650       17.33466 
1 1 1 -4  30 12 o 64.57883 29.50097 -142.6681      249.0929 -319.6658      306.4330 202.1003       427.6766 64.70870 30.59511 106.4658 43.41845 -41.75706      53.11518 
1 1 1 -4  30 13 o 110.8130 19.90018 378.5275       124.5768 282.4608       131.1189 1269.794       399.3765 94.85024 23.65268 198.7428 35.57031 -103.8926      42.71646 
1 1 1 -4  30 14 o 357.3312 11.55541 3777.496       241.8441 4609.993       400.2853 3298.907       303.5008 392.6375 17.42652 332.6854 15.59863 59.95206       23.38805 
1 1 1 -4  30 15 o 285.2780 15.72530 2429.904       262.0805 2217.895       343.2137 2726.428       405.8979 270.2627 21.83936 299.1213 23.32183 -28.85864      31.95098 
1 1 1 -4  30 16 o 223.4864 10.21121 1477.503       133.4842 1319.774       167.8456 1748.932       220.1827 210.4514 13.67304 241.8390 15.60744 -31.38760      20.74956 
1 1 1 -4  30 17 o 146.4066 14.37567 643.3871       121.8454 528.1040       150.9739 858.7602       206.3548 130.9323 20.31919 167.2243 21.54072 -36.29193      29.61202 
1 1 1 -4  30 18 o 180.9794 11.56825 973.8992       122.1427 1015.387       150.2719 893.1255       209.6775 184.2257 14.01353 170.4151 21.45379 13.81059       25.62507 
1 1 1 -4  30 19 f 382.1594 8.821448 4308.956       197.7129 4263.605       279.2589 4354.534       279.9590 378.7443 12.58967 382.8076 12.48661 -4.063324      17.73176 
1 1 1 -4  30 20 o 68.39207 23.73996 132.0623       116.3408 7.799798       154.2949 295.8049       177.1178 58.77462 25.15390 96.25687 28.99516 -37.48225      38.38538 
1 1 1 -4  30 21 o 225.8749 10.33220 1513.100       136.5085 1497.760       189.2025 1529.756       197.1469 223.5094 14.51226 225.7341 14.97631 -2.224716      20.85415 
1 1 1 -4  30 22 o 122.5792 17.15472 460.5224       119.9529 492.7655       175.4452 432.2203       164.3736 124.1892 24.95515 116.1648 24.87702 8.024475       35.23671 
1 1 1 -4  30 23 o 206.5424 11.92251 1272.874       143.8062 1474.548       207.0602 1084.954       199.8755 220.8400 16.09760 188.3972 18.32094 32.44283       24.38831 
1 1 1 -4  30 24 o 147.3931 13.06976 653.8655       111.8083 621.8107       178.9444 674.3943       143.2031 140.2758 22.51265 148.5190 16.73149 -8.243240      28.04927 
1 1 1 -4  30 25 o 43.91000 18.94445 -2.564243      88.86224 -104.4691      156.1886 46.20972       108.0553 49.56176 22.90241 54.04211 21.90372 -4.480358      31.69058 
1 1 1 -4  30 26 f 96.64508 16.81754 292.2383       91.86169 403.8029       156.2667 233.3269       113.5541 110.7192 24.69431 84.63931 22.49375 26.07985       33.40326 
1 1 1 -4  30 27 o 110.2096 13.79056 372.3797       87.18994 332.1776       150.7548 392.5860       106.8786 99.35858 25.68465 112.0913 16.77285 -12.73267      30.67621 
1 1 1 -4  30 28 o 39.13977 17.16628 -11.09407      75.52184 -112.6623      143.7669 27.61521       88.75395 45.90788 21.46882 47.25386 19.57774 -1.345982      29.05508 
1 1 1 -4  30 29 o 219.7451 8.815591 1439.893       113.3806 1375.579       170.9882 1490.362       151.4692 212.2303 13.81256 222.1979 11.66427 -9.967545      18.07877 
1 1 1 -4  30 30 o 256.0328 8.500957 1953.521       127.4710 1945.419       192.6863 1959.827       169.9831 252.7876 13.04113 254.8265 11.40281 -2.038940      17.32325 
1 1 1 -4  30 31 o 237.8302 8.609986 1688.867       119.8954 1917.745       190.7522 1539.395       154.1514 250.6162 13.02274 225.3408 11.70438 25.27542       17.50954 
1 1 1 -4  30 32 o 94.33251 15.64199 282.9196       83.50755 341.0198       159.2583 260.8876       98.07099 97.40719 26.96150 88.78500 19.37959 8.622185       33.20378 
1 1 1 -4  30 33 f 24.92017 12.40906 -173.5178      71.91419 -141.4571      145.0731 -183.9626      82.80389 43.50583 20.70895 27.38302 13.58117 16.12281       24.76507 
1 1 1 -4  30 34 o 102.8586 14.77635 334.8663       86.58163 285.1502       89.86949 977.2760       323.0498 93.70428 16.97816 153.9401 36.36495 -60.23579      40.13312 
1 1 1 -4  30 35 o 152.7616 10.46461 710.2075       93.18727 730.4875       96.34991 416.4178       366.7209 154.8218 10.67668 96.13955 39.81038 58.68224       41.21720 
1 1 1 -4  30 36 o 127.5303 13.08727 507.8566       96.49702 493.3672       99.48540 738.2256       396.6850 125.2840 13.76637 116.5501 43.39328 8.733910       45.52460 
1 1 1 -4  30 37 o 45.36283 19.44470 18.24384       92.47034 30.73658       96.22697 -132.4514      334.2087 47.56630 20.09118 65.28256 31.17394 -17.71626      37.08733 
1 1 1 -4  30 38 o 97.14559 17.55373 313.7681       96.33000 309.6987       99.24962 379.8982       400.0978 96.02953 18.29049 89.78273 39.44040 6.246796       43.47513 
1 1 1 -4  30 39 o 79.64436 22.53598 229.2430       109.9707 255.0021       112.3305 -364.5995      539.3464 84.12744 22.37889 70.06009 34.73267 14.06735       41.31794 
1 1 1 -4  30 40 o 128.8530 15.57177 537.9969       115.2908 532.4714       118.6106 632.5797       490.7324 127.6994 16.20158 98.08855 43.36008 29.61088       46.28810 
1 1 1 -4  31 1  o 452.7879 10.54894 6045.987       280.1266 5552.558       328.4426 7362.825       536.5538 433.1125 12.94481 496.4659 18.45994 -63.35339      22.54634 
1 1 1 -4  31 2  o 445.0472 15.42145 5885.449       401.9065 5885.449       401.9065 0.000000       0.000000 445.0472 15.42145 ?        ?        0.000000       15.42145 
1 1 1 -4  31 3  o 427.7620 17.01181 5453.546       425.9281 0.000000       0.000000 5453.546       425.9281 ?        ?        427.7620 17.01181 0.000000       17.01181 
1 1 1 -4  31 4  o 389.6665 10.17631 4479.328       232.3605 4209.779       279.8442 5077.702       416.9502 377.1284 12.67050 412.6163 17.26825 -35.48788      21.41807 
1 1 1 -4  31 5  o 208.4251 13.13599 1290.236       159.7529 1290.236       159.7529 0.000000       0.000000 208.4251 13.13599 ?        ?        0.000000       13.13599 
1 1 1 -4  31 6  o 372.6462 10.60847 4099.348       231.6103 4317.391       295.7196 3753.366       372.5087 381.7366 13.22887 354.3409 17.98403 27.39569       22.32551 
1 1 1 -4  31 7  o 104.9726 22.84600 344.1804       136.6455 344.1804       136.6455 0.000000       0.000000 104.9726 22.84600 ?        ?        0.000000       22.84600 
1 1 1 -4  31 8  o 300.9159 9.282330 2670.104       163.6187 2829.094       192.6171 2258.074       310.0789 309.4894 10.62780 274.0841 19.41593 35.40536       22.13433 
1 1 1 -4  31 9  o 263.0410 10.44909 2044.287       160.8746 2064.799       194.5385 1999.918       286.1175 263.9104 12.60538 257.9287 19.04889 5.981720       22.84197 
1 1 1 -4  31 10 f 323.8315 8.768695 3090.718       166.3814 2934.864       190.3466 3595.388       342.5236 315.2488 10.30922 346.9769 16.88282 -31.72812      19.78154 
1 1 1 -4  31 11 o 57.20235 23.69138 31.32939       129.9086 61.49632       134.4052 -397.0164      506.4632 61.50294 24.60288 85.61720 40.12156 -24.11427      47.06423 
1 1 1 -4  31 12 o 314.8606 8.611106 2922.420       158.8619 2966.966       196.7608 2839.007       269.2468 316.8252 10.60427 308.7128 14.91531 8.112396       18.30074 
1 1 1 -4  31 13 o 160.5762 14.94547 773.1566       139.1318 812.7287       147.6189 458.3988       416.3280 164.5386 15.47946 123.2898 44.69469 41.24879       47.29936 
1 1 1 -4  31 14 o 243.0843 9.441190 1745.620       134.3407 1736.487       167.5548 1762.057       224.7889 241.9358 11.84482 242.6055 15.88618 -0.6696777     19.81591 
1 1 1 -4  31 15 o 263.6204 14.17095 2072.719       218.2878 2126.022       338.5037 2034.773       285.6048 263.8943 22.07376 259.5046 18.89539 4.389618       29.05661 
1 1 1 -4  31 16 f 373.4285 10.57917 4127.083       231.4579 3639.198       383.2618 4407.175       290.3938 347.1440 18.89626 385.0568 12.87726 -37.91278      22.86684 
1 1 1 -4  31 17 f 239.5965 9.905836 1699.315       138.8943 1674.587       174.6820 1741.823       229.0310 237.1569 12.60446 240.6703 16.32295 -3.513367      20.62308 
1 1 1 -4  31 18 o 102.8347 21.04004 332.1808       122.6121 228.7188       150.8582 533.5433       210.4591 85.72859 26.93180 128.3226 28.68659 -42.59406      39.34771 
1 1 1 -4  31 19 o 211.8562 10.47024 1331.829       129.6884 1223.327       162.9715 1519.180       214.1503 202.1260 13.83134 224.4526 16.38113 -22.32666      21.43939 
1 1 1 -4  31 20 o 78.39234 24.07867 191.3120       121.3459 136.9154       161.0766 262.6953       184.5206 73.62341 27.60283 91.60886 29.89045 -17.98546      40.68606 
1 1 1 -4  31 21 o 256.2309 10.03104 1947.098       150.4486 1907.153       209.1725 1989.912       216.5524 252.1691 14.20105 257.5197 14.39575 -5.350632      20.22146 
1 1 1 -4  31 22 o 273.4993 10.72824 2223.727       171.7480 2413.461       233.1882 1998.773       253.9095 283.5779 14.06504 256.6539 16.96379 26.92404       22.03623 
1 1 1 -4  31 23 o 178.7239 11.38048 954.5597       118.6675 754.4629       181.5710 1103.757       156.7860 155.5259 20.39759 191.3199 14.07168 -35.79396      24.78052 
1 1 1 -4  31 24 o 46.39531 19.84089 5.425462       95.86633 -81.74393      161.5721 52.78629       119.0951 51.97397 23.74918 56.64713 22.98232 -4.673164      33.04861 
1 1 1 -4  31 25 o 64.78477 21.01233 129.5577       91.25896 203.7988       158.7879 92.94054       111.5160 80.43755 27.74383 60.66005 22.91849 19.77750       35.98580 
1 1 1 -4  31 26 f 85.76889 18.09484 235.2872       88.15268 -64.56014      150.8476 390.7908       108.6322 50.68248 23.07759 111.5683 17.15047 -60.88581      28.75263 
1 1 1 -4  31 27 o 74.50814 18.98743 180.1004       83.19849 4.011315       140.7713 274.6277       103.1398 54.30622 23.63463 91.98090 19.71231 -37.67467      30.77615 
1 1 1 -4  31 28 o 125.6794 12.03006 480.6491       87.59008 326.1270       152.4051 556.8610       107.0324 97.15186 26.16708 134.6386 13.74759 -37.48676      29.55863 
1 1 1 -4  31 29 o 37.83974 16.67165 -12.49254      71.97816 -56.83068      149.3857 0.9131376      82.14190 50.38125 22.95014 42.05495 18.17931 8.326302       29.27791 
1 1 1 -4  31 30 o 176.9834 9.804914 941.7806       101.3739 987.9965       170.9237 916.7020       125.9096 177.2954 16.63242 173.2919 12.47225 4.003479       20.78928 
1 1 1 -4  31 31 o 193.7312 9.531985 1128.696       107.9687 1034.869       168.1066 1194.576       140.8623 181.4713 15.95759 197.7643 12.20442 -16.29306      20.08961 
1 1 1 -4  31 32 o 137.2141 11.76760 576.4002       93.78366 566.4147       168.7687 580.8612       112.8038 128.7254 23.20877 136.4005 14.31425 -7.675125      27.26802 
1 1 1 -4  31 33 o 73.91331 19.18365 183.4323       83.87195 186.4389       154.9417 182.1862       99.75004 74.15868 27.20714 72.94630 21.71007 1.212379       34.80741 
1 1 1 -4  31 34 o 127.5313 11.83764 501.1938       87.52794 530.5717       90.35842 54.19084       352.4635 131.2256 11.86905 75.42170 34.69062 55.80387       36.66489 
1 1 1 -4  31 35 o 127.3159 12.63445 504.2393       93.09538 504.7787       95.46308 493.7663       420.6068 127.1862 12.97984 98.40979 41.80450 28.77638       43.77319 
1 1 1 -4  31 36 o 41.95997 18.57068 -7.648130      90.27773 -6.517105      92.26119 -33.10786      437.7335 42.50042 18.79345 74.94604 35.75768 -32.44562      40.39561 
1 1 1 -4  31 37 o 89.20929 19.36728 272.2200       98.41617 276.4405       100.9410 191.0033       442.7976 89.68309 19.72847 81.84316 38.07487 7.839928       42.88250 
1 1 1 -4  31 38 o 79.21965 23.21167 229.0078       114.7629 206.9714       117.7591 645.5881       512.0046 75.20786 23.81684 99.39469 44.09564 -24.18684      50.11654 
1 1 1 -4  31 39 o 134.2689 17.04072 594.0157       131.1697 549.5721       134.7940 1387.313       569.4871 127.8818 18.51033 132.2227 51.32542 -4.340912      54.56126 
1 1 1 -4  32 1  o 569.4578 12.15374 9586.292       405.9028 8967.703       515.5875 10594.64       658.2728 548.9235 16.03266 595.0009 18.88810 -46.07733      24.77512 
1 1 1 -4  32 2  o 562.2029 16.31814 9412.034       537.4702 9412.034       537.4702 0.000000       0.000000 562.2029 16.31814 ?        ?        0.000000       16.31814 
1 1 1 -4  32 3  o 506.3263 15.48153 7624.477       459.1814 7624.477       459.1814 0.000000       0.000000 506.3263 15.48153 ?        ?        0.000000       15.48153 
1 1 1 -4  32 4  o 251.1599 10.84141 1865.366       159.3172 1865.366       159.3172 0.000000       0.000000 251.1599 10.84141 ?        ?        0.000000       10.84141 
1 1 1 -4  32 5  o 330.0977 10.45232 3218.254       202.0962 3154.979       242.1904 3363.330       366.7267 326.2832 12.68059 334.8459 18.74930 -8.562653      22.63479 
1 1 1 -4  32 6  o 295.9964 10.26065 2587.909       177.8502 2587.909       177.8502 0.000000       0.000000 295.9964 10.26065 ?        ?        0.000000       10.26065 
1 1 1 -4  32 7  o 173.6432 12.74834 897.3798       128.9212 805.1253       142.7913 1304.243       299.8692 163.9439 15.01766 205.6075 25.40813 -41.66364      29.51446 
1 1 1 -4  32 8  o 238.6612 10.43541 1684.485       145.7105 1743.828       169.6900 1517.895       284.3123 242.5170 11.96760 223.2642 21.99879 19.25279       25.04336 
1 1 1 -4  32 9  o 165.7994 32.69809 884.6146       306.6454 884.6146       306.6454 0.000000       0.000000 165.7994 32.69809 ?        ?        0.000000       32.69809 
1 1 1 -4  32 10 o 202.8578 13.68946 1226.604       161.9115 1226.604       161.9115 0.000000       0.000000 202.8578 13.68946 ?        ?        0.000000       13.68946 
1 1 1 -4  32 11 o 140.8130 15.22834 596.9983       123.7624 551.9750       142.7907 732.9640       248.1396 134.4667 18.60438 151.7313 28.94079 -17.26457      34.40483 
1 1 1 -4  32 12 o 161.7691 15.36634 786.8066       144.0379 781.1412       149.7255 857.1552       527.6033 160.9955 16.07193 156.0093 50.51705 4.986191       53.01207 
1 1 1 -4  32 13 o 202.9714 12.84266 1227.593       152.0926 1251.981       160.2155 1005.213       483.7987 204.8395 13.41019 168.5765 47.11679 36.26305       48.98801 
1 1 1 -4  32 14 o 217.3575 14.58247 1414.255       184.8146 959.3475       300.4895 1691.040       234.3900 172.5432 30.82619 236.9343 16.98048 -64.39110      35.19362 
1 1 1 -4  32 15 o 122.9224 17.17613 461.7008       120.4486 276.6192       146.1668 853.2987       212.6118 93.15071 25.84722 165.9346 22.42053 -72.78389      34.21635 
1 1 1 -4  32 16 o 152.7895 13.68362 700.6297       121.3185 689.1949       146.0733 726.0555       217.8183 150.6543 16.81908 151.5586 25.40362 -0.9042358     30.46679 
1 1 1 -4  32 17 o 288.8388 8.846316 2465.437       149.6774 2436.619       190.6373 2511.754       241.6822 286.4251 11.37130 289.7686 14.26527 -3.343475      18.24293 
1 1 1 -4  32 18 o 275.9200 9.161014 2252.006       148.0385 2290.346       186.3102 2186.341       243.8219 277.5822 11.46914 269.7036 15.47974 7.878632       19.26561 
1 1 1 -4  32 19 f 137.5223 15.63428 574.5045       123.8603 597.2292       153.6522 532.3367       209.3054 139.0101 19.37255 127.5242 28.68290 11.48583       34.61219 
1 1 1 -4  32 20 o 221.8982 10.59220 1464.150       137.4468 1558.887       180.0141 1331.710       212.8423 228.0009 13.52305 209.0877 17.51806 18.91312       22.13042 
1 1 1 -4  32 21 o 105.0793 19.29693 346.8926       114.5393 447.1970       156.2583 230.4131       168.3868 118.0785 23.39173 85.72079 28.58010 32.35767       36.93230 
1 1 1 -4  32 22 o 87.66232 20.35975 246.0268       102.6641 286.2553       146.4273 207.1310       143.9814 93.29011 25.86430 80.92426 26.40356 12.36584       36.96093 
1 1 1 -4  32 23 o 238.8625 9.500081 1697.731       132.8186 1880.921       207.5734 1570.732       172.8308 249.2125 14.26160 228.3121 12.96072 20.90042       19.27106 
1 1 1 -4  32 24 o 52.19521 20.77948 52.54657       95.41812 83.73621       157.1318 34.32677       120.0966 65.18118 26.41535 54.19714 22.63973 10.98403       34.78977 
1 1 1 -4  32 25 o 47.23703 19.42151 30.80101       86.45043 122.3137       148.5389 -16.07563      106.3109 68.28023 26.29092 45.88963 20.23806 22.39060       33.17818 
1 1 1 -4  32 26 o 214.6658 9.114511 1375.420       114.4873 1319.028       173.3851 1419.016       152.4473 207.5541 14.33193 216.6425 12.04589 -9.088394      18.72185 
1 1 1 -4  32 27 o 104.4640 14.34520 338.9555       85.56834 266.2541       149.7734 374.1845       104.2590 87.79607 26.70929 108.7383 16.89698 -20.94218      31.60529 
1 1 1 -4  32 28 o 250.4249 8.644128 1871.414       126.7645 1871.018       194.7579 1871.706       166.9758 247.3637 13.47571 248.8119 11.47368 -1.448227      17.69859 
1 1 1 -4  32 29 o 215.2493 9.213853 1388.696       116.0453 1418.085       183.6684 1369.169       149.7137 213.9804 14.72536 212.0861 12.08650 1.894333       19.05045 
1 1 1 -4  32 30 o 172.9853 9.982174 903.0421       100.8408 827.4985       164.6305 948.4052       127.5742 160.7687 17.75605 175.9321 12.44454 -15.16341      21.68281 
1 1 1 -4  32 31 o 202.5209 9.492881 1234.891       112.4367 1271.281       181.2948 1212.145       143.3312 201.2324 15.48052 198.8642 12.35044 2.368164       19.80353 
1 1 1 -4  32 32 o 113.9687 14.55364 409.4728       95.05995 254.2686       170.5457 479.4242       114.4952 83.16555 28.74958 122.3713 16.36329 -39.20577      33.08014 
1 1 1 -4  32 33 o 153.6054 11.25140 722.5386       100.6562 719.3743       168.0018 724.3106       125.7187 146.8776 20.02421 151.8655 14.28299 -4.987869      24.59619 
1 1 1 -4  32 34 o 146.1177 11.45909 656.6826       97.41308 699.1582       100.3953 -26.58425      402.6600 150.8067 11.43647 73.93827 34.99246 76.86845       36.81392 
1 1 1 -4  32 35 o 59.06113 20.94066 112.0771       90.84166 89.73230       93.00360 576.0040       423.7763 55.45911 20.93515 101.8323 42.53236 -46.37318      47.40551 
1 1 1 -4  32 36 o 119.9456 15.80993 465.5270       108.5100 468.1108       111.6894 422.0722       458.0356 119.9417 16.29918 91.44247 41.05663 28.49925       44.17364 
1 1 1 -4  32 37 f 45.13098 20.70639 -42.80917      124.4980 -4.133725      128.9929 -568.9222      475.7598 49.05597 21.92438 62.88149 31.40676 -13.82553      38.30226 
1 1 1 -4  32 38 o 38.77430 18.64014 -135.8816      123.9890 -193.9101      128.6016 629.7838       467.1384 36.71904 17.95613 98.88570 43.04487 -62.16666      46.63993 
1 1 1 -4  33 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  33 2  o 294.7888 10.47714 2569.010       180.8478 2488.839       207.6241 2821.085       368.1592 289.7172 12.24711 305.4482 20.67349 -15.73105      24.02884 
1 1 1 -4  33 3  o 500.9073 11.66284 7421.051       342.6198 8206.102       495.5463 6702.084       474.2313 524.4583 16.13019 473.4080 17.10877 51.05029       23.51368 
1 1 1 -4  33 4  o 360.2260 12.47844 3847.542       263.2265 3847.542       263.2265 0.000000       0.000000 360.2260 12.47844 ?        ?        0.000000       12.47844 
1 1 1 -4  33 5  f 172.7849 24.93044 926.9176       245.3325 926.9176       245.3325 0.000000       0.000000 172.7849 24.93044 ?        ?        0.000000       24.93044 
1 1 1 -4  33 6  o 177.0625 14.80996 938.9168       152.3835 1075.626       173.9003 486.7479       316.2657 189.3333 15.80517 122.5188 39.05869 66.81455       42.13531 
1 1 1 -4  33 7  o 312.7544 19.84301 2956.052       362.0900 0.000000       0.000000 2956.052       362.0900 ?        ?        312.7544 19.84301 0.000000       19.84301 
1 1 1 -4  33 8  o 263.2569 9.427478 2047.603       145.3195 2051.351       162.0381 2032.198       328.4883 263.2578 10.51623 258.0759 21.91002 5.181854       24.30309 
1 1 1 -4  33 9  o 346.9464 9.043556 3553.311       183.8576 3501.103       212.1476 3710.841       368.5132 343.9815 10.52844 351.1793 17.95218 -7.197754      20.81174 
1 1 1 -4  33 10 o 226.1971 10.98752 1517.584       145.3236 1570.781       163.1167 1312.872       319.9808 229.8505 12.14356 204.3547 27.38750 25.49573       29.95899 
1 1 1 -4  33 11 o 220.7038 10.59396 1444.130       136.7251 1315.953       158.2744 1821.052       271.4140 210.0954 12.90759 245.0782 19.03235 -34.98276      22.99644 
1 1 1 -4  33 12 o 147.8477 16.78851 663.3472       142.9973 663.7230       147.7889 657.8312       566.1651 147.7106 17.39305 139.7870 51.87963 7.923569       54.71758 
1 1 1 -4  33 13 o 244.0004 11.20793 1767.759       159.9577 1706.036       166.4989 2507.319       576.3349 239.5070 11.89057 275.8551 36.52038 -36.34808      38.40734 
1 1 1 -4  33 14 o 155.7474 14.43636 729.9373       130.3642 547.8447       142.6216 1654.787       321.4213 133.5025 18.73019 230.7746 24.10348 -97.27208      30.52536 
1 1 1 -4  33 15 o 166.5871 14.67797 835.4248       141.9378 862.6601       152.7781 663.6804       383.6512 169.0254 15.58746 137.7656 42.89974 31.25983       45.64380 
1 1 1 -4  33 16 o 193.8441 16.71941 1138.176       188.2187 543.2985       312.3431 1477.362       235.8507 126.0740 38.61360 220.3084 18.42241 -94.23434      42.78312 
1 1 1 -4  33 17 o 121.0163 17.82697 451.4138       122.7375 542.5305       146.4255 236.1313       225.0722 132.3195 19.44856 90.24976 32.84127 42.06979       38.16799 
1 1 1 -4  33 18 o 155.2274 14.41181 727.9189       129.7027 750.7659       156.5278 677.8611       231.6928 156.6679 17.32484 143.9657 28.45032 12.70215       33.31022 
1 1 1 -4  33 19 o 195.4500 11.27310 1140.120       128.6717 1249.646       162.7161 957.3256       210.2106 203.8241 13.69151 175.3205 20.85234 28.50362       24.94549 
1 1 1 -4  33 20 o 159.3116 12.74468 764.1447       118.0844 863.2826       151.8047 612.2480       187.9055 168.3587 15.55006 137.8926 24.11283 30.46619       28.69204 
1 1 1 -4  33 21 f 68.25533 22.58692 142.9802       105.2178 195.3608       138.1871 70.71825       162.3068 78.53008 25.88058 64.95813 26.64900 13.57195       37.14800 
1 1 1 -4  33 22 o 142.8484 12.69393 618.0905       105.2399 581.9523       142.7000 661.1842       155.8286 136.2759 18.31828 145.1763 18.73872 -8.900436      26.20495 
1 1 1 -4  33 23 o 169.3841 11.56605 864.7298       114.2075 772.3369       165.9934 947.7812       157.3783 156.8335 18.39613 175.5603 15.44229 -18.72685      24.01837 
1 1 1 -4  33 24 o 45.55346 19.25999 15.48909       88.57274 35.59285       131.8545 -1.042242      119.5667 55.93566 23.56643 49.99122 21.76899 5.944435       32.08217 
1 1 1 -4  33 25 o 81.95982 18.44335 217.7398       86.50395 185.2948       142.0540 236.8620       109.0558 75.72086 26.23532 84.33672 21.86792 -8.615860      34.15403 
1 1 1 -4  33 26 o 264.3871 8.578123 2083.929       132.8335 2244.991       201.5093 1960.160       176.6465 271.8179 12.67547 254.5061 11.86735 17.31175       17.36380 
1 1 1 -4  33 27 o 28.26446 13.82654 -137.1585      76.44898 -235.8174      147.3915 -100.8477      89.41730 39.60122 19.33486 34.17932 16.26633 5.421902       25.26718 
1 1 1 -4  33 28 o 141.6642 17.62238 641.1925       143.2553 630.1025       158.9865 689.0593       330.3025 138.7601 20.12290 126.0252 39.88535 12.73484       44.67406 
1 1 1 -4  33 29 o 46.69709 18.92703 39.96701       80.68324 -71.35061      146.1490 88.76608       96.76530 48.10128 22.20141 56.65436 21.36138 -8.553074      30.80927 
1 1 1 -4  33 30 o 49.56643 19.49743 56.67628       83.08012 160.6873       154.0898 14.04816       98.64666 71.04488 26.91815 46.60612 20.03232 24.43876       33.55415 
1 1 1 -4  33 31 o 196.8596 10.19719 1174.350       117.3289 1238.962       191.0468 1135.224       148.6682 197.0213 16.69083 191.3770 13.32910 5.644394       21.35998 
1 1 1 -4  33 32 o 114.9471 15.07612 420.6336       99.18634 320.7651       173.2502 469.3259       120.9734 91.26877 28.88659 119.7773 17.75830 -28.50853      33.90858 
1 1 1 -4  33 33 o 46.64787 19.31021 36.68382       86.24331 99.93507       166.9995 13.67962       100.7127 63.97302 26.70827 46.42886 20.09986 17.54417       33.42658 
1 1 1 -4  33 34 o 88.58757 18.47216 264.1759       92.85839 234.6990       95.55149 765.0945       393.8947 82.53352 19.96089 116.9144 43.29472 -34.38084      47.67463 
1 1 1 -4  33 35 o 120.4555 18.42650 484.7082       126.0412 500.7040       131.6481 308.8305       436.5328 121.9866 19.02170 86.19281 39.25116 35.79383       43.61741 
1 1 1 -4  33 36 o 62.87415 26.08863 105.8033       157.9348 134.5218       165.4693 -188.1767      529.4142 66.35336 27.02685 73.09788 35.88726 -6.744514      44.92601 
1 1 1 -4  33 37 o 98.63269 28.80162 394.3995       176.9561 292.2231       186.9929 1270.283       547.4859 84.11089 30.02101 127.7496 50.11151 -43.63872      58.41596 
1 1 1 -4  34 1  o 320.3937 12.16233 3047.256       228.1193 3184.625       292.2845 2833.177       364.8781 326.3942 15.31176 305.5139 20.48249 20.88034       25.57308 
1 1 1 -4  34 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  34 3  o 667.3141 18.23248 13392.66       712.8847 13392.66       712.8847 0.000000       0.000000 667.3141 18.23248 ?        ?        0.000000       18.23248 
1 1 1 -4  34 4  o 228.6334 12.56044 1555.680       167.7735 1555.680       167.7735 0.000000       0.000000 228.6334 12.56044 ?        ?        0.000000       12.56044 
1 1 1 -4  34 5  o 106.5939 20.71423 354.8728       124.8279 300.1763       134.7776 684.8303       331.0297 97.22269 23.82632 142.2952 38.66670 -45.07247      45.41814 
1 1 1 -4  34 6  o 236.9968 12.06507 1669.893       167.1443 1773.846       194.1648 1372.418       328.4552 243.8254 13.63244 208.8102 27.48785 35.01517       30.68266 
1 1 1 -4  34 7  o 195.1859 11.23639 1131.981       128.0815 1119.868       138.9068 1200.738       330.9361 193.8895 12.27878 193.7124 30.10706 0.1770630      32.51466 
1 1 1 -4  34 8  o 230.3969 10.94358 1575.141       147.4495 1594.953       163.4525 1488.564       341.6826 231.5489 12.07820 217.3902 27.40778 14.15865       29.95111 
1 1 1 -4  34 9  o 151.7043 14.94854 693.6208       131.2724 642.4986       142.1682 989.3124       341.9139 145.3739 16.99532 172.7167 34.95573 -27.34277      38.86829 
1 1 1 -4  34 10 o 326.4182 10.29827 3155.646       196.8998 3008.857       232.4205 3528.830       370.5851 317.9874 12.48703 341.4650 18.57504 -23.47760      22.38209 
1 1 1 -4  34 11 f 161.7139 13.49012 784.1257       126.7777 622.6806       141.0777 1461.570       288.9900 142.9551 17.17031 217.2505 23.03191 -74.29544      28.72784 
1 1 1 -4  34 12 o 78.69837 23.99065 193.0297       120.7528 151.6001       136.3165 344.0182       260.2344 73.14553 25.67668 104.2808 35.53129 -31.13529      43.83794 
1 1 1 -4  34 13 o 32.28317 16.00239 -262.7885      114.3423 -283.0156      125.4502 -163.5040      277.9364 33.98151 16.82962 66.49918 30.66564 -32.51767      34.98025 
1 1 1 -4  34 14 o 163.3495 13.92343 802.5779       132.1171 630.1343       151.0962 1362.559       272.2808 143.1990 18.41727 209.4440 22.51996 -66.24495      29.09200 
1 1 1 -4  34 15 o 228.3490 17.75477 1587.102       235.9069 1410.249       329.6710 1772.698       337.7202 209.9772 27.42542 237.5618 24.59520 -27.58459      36.83853 
1 1 1 -4  34 16 o 145.7479 15.39778 645.5553       129.6293 521.7445       154.6528 938.0157       237.6906 128.8114 21.20916 172.0614 24.22447 -43.24995      32.19710 
1 1 1 -4  34 17 o 240.2023 9.711789 1713.321       136.5308 1689.843       167.5639 1759.694       235.5016 237.7466 12.05691 240.4871 16.80323 -2.740479      20.68133 
1 1 1 -4  34 18 o 184.9838 19.12156 1060.381       204.4602 821.4434       277.3674 1344.721       302.5750 155.6706 31.46420 204.3010 25.82922 -48.63040      40.70804 
1 1 1 -4  34 19 o 145.1499 13.85699 640.1163       116.5304 686.7869       142.2735 544.9926       203.1174 149.3323 16.52096 127.3564 27.96186 21.97590       32.47780 
1 1 1 -4  34 20 o 124.0908 15.79574 475.8655       112.3537 439.2258       140.5378 540.7571       187.0300 116.8012 21.30071 127.4367 25.90834 -10.63544      33.54046 
1 1 1 -4  34 21 o 130.7481 14.53017 525.2263       109.5388 475.8343       142.7129 596.0469       170.8891 121.5882 20.75798 135.5362 22.27140 -13.94798      30.44518 
1 1 1 -4  34 22 f 286.4756 8.218877 2438.706       137.9436 2599.361       184.7196 2236.158       207.4093 294.4208 10.71566 271.5896 13.05988 22.83124       16.89337 
1 1 1 -4  34 23 o 87.61634 19.30494 249.7461       96.51710 471.7863       135.6623 22.16428       137.3448 121.0132 19.79912 55.29073 23.69894 65.72250       30.88114 
1 1 1 -4  34 24 o 101.8453 16.85509 329.1205       97.15686 293.6517       139.1738 362.8374       135.6934 92.48370 25.04661 104.0509 22.86195 -11.56721      33.91167 
1 1 1 -4  34 25 o 187.2829 9.819263 1053.231       107.4751 1018.993       163.9075 1079.055       142.3480 181.0293 15.59001 187.9373 12.99482 -6.907944      20.29566 
1 1 1 -4  34 26 o 92.70321 17.61894 277.7993       92.29038 270.3952       151.0887 282.2062       116.5640 87.45168 26.86927 91.33412 22.01988 -3.882439      34.73950 
1 1 1 -4  34 27 o 65.47399 20.53479 141.0972       87.73988 59.76608       151.9580 181.7723       107.4632 60.04504 25.29860 73.22768 22.68888 -13.18265      33.98242 
1 1 1 -4  34 28 o 41.11824 18.04078 -6.218920      83.48309 -169.1844      150.5244 66.17803       100.3273 42.98976 20.63319 53.66985 21.32662 -10.68009      29.67412 
1 1 1 -4  34 29 o 111.9481 14.73142 395.6317       94.37410 302.5434       154.7946 450.7027       119.0610 90.73135 27.05482 117.7904 17.78877 -27.05900      32.37906 
1 1 1 -4  34 30 o 58.09843 20.74672 104.5675       89.31542 64.56119       156.8166 123.7763       108.6623 60.18683 25.54498 62.67043 22.81704 -2.483597      34.25147 
1 1 1 -4  34 31 o 72.23936 20.83294 179.9124       93.10885 97.53471       161.1905 221.1617       114.0625 63.53288 26.35855 78.92529 23.14492 -15.39241      35.07793 
1 1 1 -4  34 32 f 43.15303 18.73075 7.041571       87.92733 -36.26696      156.6055 26.97883       106.2559 51.25748 23.40637 48.85464 20.89039 2.402840       31.37302 
1 1 1 -4  34 33 o 41.44735 18.26512 -4.337165      86.43952 7.818033       170.9034 -8.515502      100.2009 56.22798 25.17511 43.84555 19.47635 12.38243       31.82946 
1 1 1 -4  34 34 o 88.32553 25.16637 292.9484       136.6638 260.7623       142.3683 670.6093       487.6750 82.72919 26.18607 101.9966 44.19284 -19.26746      51.36845 
1 1 1 -4  34 35 o 42.91299 20.72562 -173.9216      157.5684 -173.3768      165.3306 -179.3184      520.3526 44.19011 21.31454 72.86773 35.73438 -28.67762      41.60835 
1 1 1 -4  34 36 o 200.3245 11.60280 1242.534       135.7328 1295.144       140.6171 524.4459       519.5069 204.3658 11.78215 92.34414 42.34203 112.0216       43.95073 
1 1 1 -4  35 1  o 121.3101 18.15244 452.2579       125.1827 452.2579       125.1827 0.000000       0.000000 121.3101 18.15244 ?        ?        0.000000       18.15244 
1 1 1 -4  35 2  o 189.7705 13.64974 1077.782       150.9013 1091.553       167.3374 1017.831       349.1482 190.5606 15.09628 175.0206 35.23554 15.53998       38.33329 
1 1 1 -4  35 3  o 150.6059 16.36683 687.5428       142.2411 687.5428       142.2411 0.000000       0.000000 150.6059 16.36683 ?        ?        0.000000       16.36683 
1 1 1 -4  35 4  o 206.2795 13.22320 1271.271       159.1292 1275.591       178.2029 1254.267       353.5227 206.1406 14.83942 196.7096 31.72254 9.430984       35.02182 
1 1 1 -4  35 5  o 95.82646 23.90402 293.0540       133.8880 293.0540       133.8880 0.000000       0.000000 95.82646 23.90402 ?        ?        0.000000       23.90402 
1 1 1 -4  35 6  o 245.5749 11.93983 1794.427       171.4466 1863.308       197.2997 1582.044       346.4461 249.7489 13.52056 224.0308 26.90578 25.71809       30.11190 
1 1 1 -4  35 7  o 191.7184 12.23009 1096.306       136.7961 1139.954       150.5090 888.9882       328.0197 195.2382 13.22260 162.8445 35.36129 32.39368       37.75259 
1 1 1 -4  35 8  o 230.6300 10.64067 1578.863       143.5368 1569.918       157.1983 1623.716       352.0231 229.6821 11.70861 226.7196 27.00489 2.962524       29.43392 
1 1 1 -4  35 9  o 248.7058 20.04485 1891.498       289.8995 1891.498       289.8995 0.000000       0.000000 248.7058 20.04485 ?        ?        0.000000       20.04485 
1 1 1 -4  35 10 o 247.1495 10.62508 1813.630       153.6480 1682.227       170.2635 2390.022       356.5976 237.5195 12.26436 278.3964 22.01979 -40.87688      25.20487 
1 1 1 -4  35 11 o 168.1194 14.68591 852.4888       143.3480 851.9932       148.2912 859.5534       559.8596 167.8975 15.22521 150.4431 52.08550 17.45442       54.26515 
1 1 1 -4  35 12 o 291.0738 9.223058 2508.787       157.2461 2504.648       184.8480 2519.627       299.1251 290.2840 10.87702 287.9398 17.80037 2.344177       20.86056 
1 1 1 -4  35 13 o 209.8827 11.42588 1313.822       140.1121 1158.735       158.0137 1884.298       303.0577 196.2967 13.81379 246.7756 21.14336 -50.47890      25.25594 
1 1 1 -4  35 14 o 140.2599 17.66648 605.8922       142.1060 544.4169       150.7429 1096.716       425.9412 131.9226 20.11922 173.5037 42.25733 -41.58110      46.80240 
1 1 1 -4  35 15 o 131.8511 16.58268 534.5150       125.4002 454.4890       146.3288 755.7999       243.3270 119.5007 21.67702 151.2610 28.47374 -31.76029      35.78613 
1 1 1 -4  35 16 o 284.0112 8.510681 2390.714       141.5990 2211.338       168.0582 2829.672       262.8998 272.3646 10.54094 305.8542 14.69936 -33.48969      18.08819 
1 1 1 -4  35 17 o 184.3124 11.69103 1020.202       125.7228 900.7385       151.0497 1289.579       226.8201 171.7593 15.15023 203.4290 19.24020 -31.66966      24.48907 
1 1 1 -4  35 18 o 67.76251 23.92659 136.0345       118.4938 223.3516       131.7359 -233.9586      271.1760 82.35912 25.04819 60.27098 28.58068 22.08814       38.00352 
1 1 1 -4  35 19 o 96.64748 20.95162 304.4172       115.3256 313.6615       138.8126 283.8189       207.2077 96.70640 24.46175 91.47510 31.68607 5.231300       40.02979 
1 1 1 -4  35 20 o 67.17236 24.13362 133.8267       121.0537 145.2094       138.2505 96.42039       250.6209 70.19365 25.70850 75.75887 32.22920 -5.565216      41.22679 
1 1 1 -4  35 21 o 165.7254 12.03661 832.3826       116.1913 734.1812       147.9539 990.4003       187.6810 153.2933 16.72823 177.2403 18.31911 -23.94702      24.80773 
1 1 1 -4  35 22 o 37.66064 17.76649 -98.66499      102.2650 -197.4509      138.7390 18.86294       151.3288 39.85727 19.29766 57.01487 24.66055 -17.15759      31.31361 
1 1 1 -4  35 23 o 48.47138 20.19134 29.92529       95.13353 -57.37566      134.6204 117.0158       134.4580 47.58533 21.71874 65.38602 25.05538 -17.80070      33.15834 
1 1 1 -4  35 24 o 123.0894 13.48762 467.9222       95.77332 497.7190       142.7544 443.5331       129.1526 123.2021 20.47541 116.7001 19.56205 6.501930       28.31812 
1 1 1 -4  35 25 o 161.8295 10.78787 793.7101       101.8021 756.0709       149.0249 826.6429       139.3968 154.5041 16.71199 162.9235 14.74834 -8.419403      22.28910 
1 1 1 -4  35 26 f 57.99585 20.83749 100.9168       90.24619 82.63691       139.0567 114.2186       118.6204 60.75871 24.76556 62.64307 23.64402 -1.884361      34.23993 
1 1 1 -4  35 27 o 100.6937 16.52551 326.2664       94.20809 293.2526       148.9552 348.2760       121.6226 89.88676 26.47339 101.4379 21.13083 -11.55115      33.87259 
1 1 1 -4  35 28 o 118.0038 15.31047 442.0008       103.4628 298.7947       170.0291 526.2045       130.3791 89.15319 28.66113 127.1662 17.98301 -38.01302      33.83561 
1 1 1 -4  35 29 o 62.45163 21.27051 128.0905       93.25922 132.0103       165.4958 126.2665       112.8901 67.65222 27.21860 63.20478 23.21761 4.447445       35.77582 
1 1 1 -4  35 30 o 42.18660 18.60908 -5.769049      89.93230 -287.5068      167.4168 108.5028       106.6218 40.25749 19.84551 59.79773 22.44946 -19.54024      29.96369 
1 1 1 -4  35 31 o 74.91998 20.79545 195.4674       94.59740 223.1735       164.8634 181.8681       115.5034 77.54313 28.12341 71.65858 23.66326 5.884544       36.75426 
1 1 1 -4  35 32 o 136.1963 11.73107 574.1084       92.79076 599.8300       171.6489 563.4882       110.2959 129.9510 23.38186 133.2339 14.34099 -3.282974      27.42946 
1 1 1 -4  35 33 o 135.1207 11.68725 566.0781       91.70605 584.8061       188.2743 560.2527       105.0045 124.5419 26.58599 133.1404 13.64031 -8.598473      29.88098 
1 1 1 -4  35 34 o 215.5761 10.49775 1422.577       132.3243 1466.391       137.5802 881.7800       483.3568 218.6442 10.76228 112.8184 46.10175 105.8258       47.34129 
1 1 1 -4  36 1  f 141.9084 15.35612 610.0060       125.7690 561.0560       135.4487 916.2266       338.7785 135.3939 17.46425 164.5328 36.10232 -29.13893      40.10458 
1 1 1 -4  36 2  o 122.1911 17.42923 458.4419       121.3658 366.1793       131.3422 997.4855       317.4705 107.7145 21.54432 174.0548 32.28903 -66.34031      38.81673 
1 1 1 -4  36 3  o 267.0921 16.46663 2152.958       256.6846 2152.958       256.6846 0.000000       0.000000 267.0921 16.46663 ?        ?        0.000000       16.46663 
1 1 1 -4  36 4  o 168.9553 13.27851 856.1522       130.5178 750.2974       140.7486 1505.900       348.7073 157.4698 15.43860 217.2204 28.02457 -59.75064      31.99574 
1 1 1 -4  36 5  o 316.2366 21.14181 3071.891       389.8548 0.000000       0.000000 3071.891       389.8548 ?        ?        316.2366 21.14181 0.000000       21.14181 
1 1 1 -4  36 6  o 332.3545 8.962701 3267.324       174.5397 3166.520       194.2216 3690.433       397.9108 326.7859 10.14636 347.6797 19.59372 -20.89377      22.06496 
1 1 1 -4  36 7  o 247.4238 10.08853 1816.748       146.0858 1734.118       159.5234 2246.155       363.6539 241.3558 11.30118 268.5578 23.31966 -27.20195      25.91376 
1 1 1 -4  36 8  o 231.4652 10.52112 1592.524       142.4496 1526.528       155.2882 1942.859       357.7863 226.2328 11.74415 248.4268 24.89192 -22.19405      27.52332 
1 1 1 -4  36 9  o 210.9690 11.22021 1326.616       138.3266 1285.310       151.3299 1536.457       341.0838 207.2422 12.50900 219.0291 27.13241 -11.78682      29.87712 
1 1 1 -4  36 10 o 192.9144 25.37805 1186.048       280.1697 1186.048       280.1697 0.000000       0.000000 192.9144 25.37805 ?        ?        0.000000       25.37805 
1 1 1 -4  36 11 o 30.76076 15.44213 -348.6563      122.0816 -355.5351      135.6438 -319.3251      280.0961 33.38277 16.68799 59.15761 28.32742 -25.77484      32.87753 
1 1 1 -4  36 12 o 137.0085 15.53289 573.7829       122.6107 467.6633       137.6150 982.3706       270.0292 121.9086 19.93623 173.4076 27.46578 -51.49893      33.93851 
1 1 1 -4  36 13 o 318.4150 8.775577 3006.481       163.7214 3159.737       195.1491 2642.249       300.8475 325.7916 10.22620 293.6200 17.55080 32.17160       20.31270 
1 1 1 -4  36 14 o 102.8239 20.06853 337.8214       116.6754 210.0058       132.6104 775.8397       245.4888 80.56129 25.24223 152.0697 28.57454 -71.50845      38.12708 
1 1 1 -4  36 15 o 124.5507 17.02999 483.0042       121.1428 421.6290       140.9744 656.2792       236.8709 114.1578 21.85206 138.1105 30.09623 -23.95274      37.19268 
1 1 1 -4  36 16 o 105.3164 19.88824 356.1805       118.3395 377.8235       139.4772 300.5634       223.5880 107.1785 22.88555 94.03507 32.89363 13.14343       40.07168 
1 1 1 -4  36 17 o 79.50640 22.21936 208.2776       107.5976 147.1611       125.4366 378.4836       209.3305 69.64845 24.61530 103.0964 31.61777 -33.44797      40.06989 
1 1 1 -4  36 18 o 99.42863 20.82264 323.1412       117.5244 394.6324       140.5616 157.0627       214.2384 109.1941 22.69089 77.58783 31.05350 31.60625       38.46032 
1 1 1 -4  36 19 o 49.70985 21.75559 -4.719379      120.7236 -19.63743      145.9701 27.57171       214.7579 52.91834 23.50689 66.41567 29.04304 -13.49733      37.36404 
1 1 1 -4  36 20 o 120.9798 16.82099 461.4774       116.1242 361.3175       142.4194 660.1461       200.5797 103.2396 23.98153 139.4851 25.45706 -36.24546      34.97393 
1 1 1 -4  36 21 o 182.0010 11.19549 1001.357       118.9216 990.8973       152.5244 1017.575       189.9198 179.1620 14.64350 179.0899 18.34088 0.7209778E-01  23.46955 
1 1 1 -4  36 22 o 143.7842 13.49404 636.6608       112.4600 662.2565       150.4240 604.2247       169.3353 143.9518 18.22547 134.8565 22.18091 9.095337       28.70819 
1 1 1 -4  36 23 o 87.66734 24.55492 268.1690       131.2501 216.7416       314.3517 279.0271       144.4428 85.58179 36.23859 88.76151 26.04986 -3.179718      44.62992 
1 1 1 -4  36 24 o 73.97076 21.75385 185.7114       100.6415 58.12423       144.0991 307.2151       140.6217 58.77868 24.69269 93.10767 25.15994 -34.32898      35.25269 
1 1 1 -4  36 25 o 59.52224 21.54203 107.1567       96.66356 152.6633       145.3531 71.07227       129.4335 69.65979 26.19898 58.13595 23.81808 11.52384       35.40745 
1 1 1 -4  36 26 o 59.21272 21.86379 104.5313       100.3246 18.53817       154.5028 167.2227       131.9193 56.02315 24.56269 70.68217 25.21684 -14.65902      35.20248 
1 1 1 -4  36 27 o 63.85800 21.70524 134.5599       97.10372 46.47489       152.4649 194.6744       125.9529 57.94868 24.90593 74.41348 24.71553 -16.46480      35.08792 
1 1 1 -4  36 28 o 104.3817 16.95012 355.1646       100.2079 372.9038       155.7208 342.6266       130.9158 100.4235 26.17702 98.46572 23.07542 1.957817       34.89573 
1 1 1 -4  36 29 o 144.3539 13.00353 650.1335       108.9093 661.2825       185.0168 644.2220       134.7234 136.5367 23.97979 141.1142 16.59568 -4.577499      29.16242 
1 1 1 -4  36 30 o 128.9402 13.19782 521.2619       98.39586 451.5675       178.3410 551.7614       117.9773 108.3824 27.89425 131.0244 15.66301 -22.64198      31.99092 
1 1 1 -4  36 31 o 139.4923 11.07188 599.1887       89.83535 785.0148       182.3534 539.6356       103.2316 151.0326 21.16731 130.7277 13.66630 20.30484       25.19569 
1 1 1 -4  36 32 o 58.97633 25.82223 50.43363       170.2363 50.18563       180.9726 52.33969       501.7128 60.04789 26.44658 78.06413 37.51983 -18.01625      45.90381 
1 1 1 -4  36 33 o 38.30827 17.42032 -30.27752      85.60233 -25.29172      178.4725 -31.76723      97.55629 54.22904 24.84757 40.79759 18.56969 13.43145       31.01991 
1 1 1 -4  37 1  o 34.74572 17.08654 -241.9499      121.6090 -180.8344      128.2188 -789.2883      383.7106 39.24719 18.88997 58.85018 29.19623 -19.60299      34.77428 
1 1 1 -4  37 2  o 99.40329 33.37937 320.8502       229.6341 320.8502       229.6341 0.000000       0.000000 99.40329 33.37937 ?        ?        0.000000       33.37937 
1 1 1 -4  37 3  o 107.5824 20.28885 365.2838       123.3185 490.5406       132.5678 -439.5458      336.0387 125.7347 18.53275 62.42797 30.17909 63.30673       35.41526 
1 1 1 -4  37 4  o 194.1198 11.52734 1125.612       130.6440 1146.223       140.3737 992.2031       357.1291 195.6501 12.29581 168.6845 37.10936 26.96556       39.09337 
1 1 1 -4  37 5  o 121.9128 18.22862 461.4100       126.3374 414.0697       135.1911 787.7365       354.9428 114.3939 20.92163 147.8206 39.98456 -33.42664      45.12737 
1 1 1 -4  37 6  o 272.1230 24.15639 2337.962       381.5192 0.000000       0.000000 2337.962       381.5192 ?        ?        272.1230 24.15639 0.000000       24.15639 
1 1 1 -4  37 7  o 72.87565 24.71200 160.5543       125.8628 166.2619       136.1925 127.1522       329.4660 74.46453 25.69370 87.90399 37.15489 -13.43946      45.17358 
1 1 1 -4  37 8  o 246.3540 9.739179 1804.419       140.4352 1814.460       154.0299 1754.951       341.8836 246.7016 10.67114 234.0239 25.31202 12.67767       27.46946 
1 1 1 -4  37 9  o 196.2671 11.15603 1152.337       127.8838 1085.122       138.4562 1542.719       333.6754 189.9597 12.49740 217.8580 26.67123 -27.89833      29.45403 
1 1 1 -4  37 10 o 100.1377 21.33082 323.4953       121.4335 361.6398       131.3792 99.79108       318.1615 105.7844 21.89836 84.00075 36.03860 21.78365       42.17012 
1 1 1 -4  37 11 o 138.3108 14.64524 584.9673       116.9936 461.8424       128.7751 1166.993       279.9821 121.1277 18.73134 188.8517 25.96555 -67.72402      32.01675 
1 1 1 -4  37 12 o 122.4297 16.59169 466.0245       116.0687 449.5588       130.6302 527.7744       252.9715 119.0264 19.37937 120.9672 34.16349 -1.940773      39.27728 
1 1 1 -4  37 13 o 183.2181 11.68279 1010.975       124.8812 902.3590       139.6104 1445.778       279.3306 172.0875 13.95263 211.9574 22.83049 -39.86989      26.75644 
1 1 1 -4  37 14 o 205.2419 10.92953 1264.945       131.0839 1252.997       152.5285 1298.700       256.3770 203.3588 12.85481 200.9515 22.11929 2.407272       25.58338 
1 1 1 -4  37 15 o 138.0927 15.47362 590.3979       123.1653 663.7173       144.4493 395.1299       235.7337 145.6098 17.24975 104.1028 33.77177 41.50703       37.92211 
1 1 1 -4  37 16 o 127.4967 15.91907 506.7332       116.4465 407.0742       136.6991 770.3171       222.3139 111.3051 21.72115 151.0044 26.04356 -39.69926      33.91277 
1 1 1 -4  37 17 o 98.84478 20.06409 318.9430       112.3338 296.1324       133.9574 372.9909       206.2000 93.31548 24.25653 101.3048 31.43548 -7.989281      39.70602 
1 1 1 -4  37 18 o 173.4884 11.72573 912.0231       118.6047 1076.916       142.6876 543.4088       213.3392 187.8876 13.02976 122.9682 29.87982 64.91939       32.59721 
1 1 1 -4  37 19 o 217.2121 9.771724 1415.464       124.1630 1479.423       150.2663 1277.819       220.4404 221.0446 11.63221 200.2083 19.00155 20.83635       22.27930 
1 1 1 -4  37 20 o 65.72450 22.67923 136.6326       106.1106 201.6269       128.7731 -0.8452052     187.2852 77.10329 24.95649 59.99733 26.64041 17.10596       36.50394 
1 1 1 -4  37 21 o 81.06879 22.64326 224.7549       111.7759 269.4261       141.8685 151.6345       181.5064 87.33034 25.86603 72.57963 28.73501 14.75071       38.66203 
1 1 1 -4  37 22 f 45.20057 20.07472 -15.08659      106.4054 -144.4699      137.8122 175.9005       167.4366 41.99220 20.04289 74.03096 28.05739 -32.03876      34.48093 
1 1 1 -4  37 23 o 146.7662 13.90645 669.8671       118.2718 808.4230       153.0540 464.4958       186.3382 159.4806 16.60685 112.2200 28.31719 47.26056       32.82760 
1 1 1 -4  37 24 o 136.6160 13.63830 581.1712       107.8141 602.5933       150.0280 558.2939       155.0399 135.2642 19.47238 128.8194 21.26282 6.444809       28.83194 
1 1 1 -4  37 25 o 142.1105 14.84938 636.8746       121.9369 532.4722       166.7739 756.7916       178.7367 123.2825 23.92936 150.2545 20.84378 -26.97195      31.73448 
1 1 1 -4  37 26 o 93.92220 20.07020 299.6570       107.1979 294.9062       159.5044 303.5704       144.7663 88.36686 27.68317 90.72681 25.91833 -2.359955      37.92252 
1 1 1 -4  37 27 o 43.34285 19.18332 -7.283528      96.34000 -209.1766      152.9407 125.5245       124.0436 40.93050 19.91964 63.50732 24.13084 -22.57681      31.29041 
1 1 1 -4  37 28 o 52.90338 20.69732 73.18011       93.18858 57.48684       152.9316 82.44850       117.5284 58.34451 25.00771 57.03183 22.94027 1.312679       33.93584 
1 1 1 -4  37 29 o 194.1044 9.189749 1140.202       104.3169 1272.661       170.0943 1060.346       132.0702 200.5110 14.56371 184.9629 12.24394 15.54805       19.02671 
1 1 1 -4  37 30 f 117.6561 11.96762 431.1461       81.43151 408.9812       152.0950 440.0529       96.41439 104.8905 25.06693 117.4644 14.28900 -12.57382      28.85353 
1 1 1 -4  37 31 o 41.99677 17.96473 15.63369       78.63187 -193.7481      182.4701 63.38317       87.13781 45.85012 22.18280 50.25237 19.90529 -4.402248      29.80432 
1 1 1 -4  37 32 o 34.39664 16.25811 -76.96922      86.40491 -275.4048      154.3585 13.58185       104.2720 38.00322 18.79376 46.49420 20.28626 -8.490978      27.65389 
1 1 1 -4  38 1  o 301.3637 12.90655 2730.980       227.5855 2652.225       271.0959 2918.977       418.8510 295.2209 15.71421 302.8396 23.77331 -7.618713      28.49749 
1 1 1 -4  38 2  o 70.07127 30.47877 22.19928       233.8319 22.19928       233.8319 0.000000       0.000000 70.07127 30.47877 ?        ?        0.000000       30.47877 
1 1 1 -4  38 3  o 274.8163 11.26126 2259.056       181.1169 2399.647       210.6749 1860.818       354.5732 282.4763 12.74973 239.7585 25.61254 42.71786       28.61045 
1 1 1 -4  38 4  o 392.7873 10.73825 4604.473       247.1347 4450.730       292.6028 4987.097       461.6014 384.6180 12.99039 400.6566 19.70510 -16.03860      23.60172 
1 1 1 -4  38 5  o 255.8600 13.29622 1975.670       198.8330 1975.670       198.8330 0.000000       0.000000 255.8600 13.29622 ?        ?        0.000000       13.29622 
1 1 1 -4  38 6  f 101.6944 19.93845 331.1469       114.6634 282.6436       120.9883 759.0011       359.3399 92.91620 22.45445 140.5131 41.04609 -47.59686      46.78657 
1 1 1 -4  38 7  o 82.71557 23.36265 224.8495       118.2961 187.2616       126.1071 500.3851       341.4318 76.40596 24.69398 115.5291 40.63002 -39.12317      47.54568 
1 1 1 -4  38 8  o 47.97813 21.30152 -25.02662      119.7124 -28.66657      128.5658 -1.295252      328.2762 49.41881 22.00019 77.83639 34.86745 -28.41758      41.22799 
1 1 1 -4  38 9  o 328.1988 8.539709 3200.198       164.2334 3021.856       179.9469 4089.639       401.8610 318.3435 9.649382 362.0040 18.99478 -43.66046      21.30522 
1 1 1 -4  38 10 o 232.1145 9.853213 1609.879       133.8264 1567.735       145.5155 1841.031       340.7943 228.5821 10.88595 236.9803 24.89164 -8.398224      27.16795 
1 1 1 -4  38 11 o 125.0935 16.31384 488.0633       116.8367 435.8191       131.2045 688.1794       256.7857 116.4411 19.92893 138.4478 32.23045 -22.00671      37.89412 
1 1 1 -4  38 12 o 285.5255 9.462363 2433.842       158.2322 2457.741       165.5759 2182.213       537.2651 286.7065 9.861800 238.5745 39.79973 48.13205       41.00334 
1 1 1 -4  38 13 o 249.9807 9.257727 1865.851       135.4910 1768.962       153.8555 2200.586       285.9733 242.5893 10.84150 264.5917 18.54633 -22.00235      21.48265 
1 1 1 -4  38 14 o 73.66066 23.66164 178.0525       115.9009 95.32678       130.7043 482.4570       250.7235 62.46270 24.48985 112.8284 34.60299 -50.36570      42.39245 
1 1 1 -4  38 15 o 143.3792 14.39877 634.5219       119.4399 625.4005       138.0843 661.6234       238.0182 140.9588 17.04930 135.4939 30.66998 5.464966       35.09026 
1 1 1 -4  38 16 o 170.8443 11.91459 886.2086       118.6314 901.6272       142.3004 851.0739       214.8089 171.0534 14.31601 159.8326 23.62696 11.22078       27.62574 
1 1 1 -4  38 17 o 103.2485 18.92550 346.2458       110.3774 191.6129       133.0290 687.9341       197.7473 75.72707 25.40557 142.4014 24.56528 -66.67432      35.33973 
1 1 1 -4  38 18 o 138.9314 13.80982 596.8801       111.0342 719.3704       134.9877 340.6243       195.2451 151.7270 15.38215 95.86143 30.70267 55.86555       34.34042 
1 1 1 -4  38 19 o 97.56654 19.75183 315.2108       109.1388 387.2431       130.9707 151.5349       197.4254 107.3212 21.55755 73.52510 29.67658 33.79611       36.68007 
1 1 1 -4  38 20 o 51.46150 21.30100 43.86031       104.9300 76.57416       123.0908 -43.12020      200.7108 58.13290 23.44387 58.18954 26.54364 -0.5664444E-01 35.41440 
1 1 1 -4  38 21 o 174.6372 11.01616 927.3537       112.2533 975.9368       134.1171 813.7039       205.1283 177.9868 12.93662 154.4428 23.37720 23.54399       26.71797 
1 1 1 -4  38 22 o 130.9407 15.17326 541.5316       114.3667 488.2026       141.4883 642.0517       194.2518 120.6786 20.73845 134.6948 25.52430 -14.01624      32.88728 
1 1 1 -4  38 23 o 149.8798 13.13052 697.1729       114.2539 599.7328       145.4860 853.9708       184.5536 135.0974 18.87678 160.4677 20.04639 -25.37022      27.53526 
1 1 1 -4  38 24 o 151.5643 12.98626 713.6282       114.3220 805.0492       155.6456 606.5264       168.4659 157.9426 17.07411 132.6619 22.45303 25.28064       28.20751 
1 1 1 -4  38 25 o 89.24609 21.07314 275.9168       108.5213 207.5928       151.3321 348.2474       155.7060 75.83644 27.01369 96.37924 26.65226 -20.54280      37.94841 
1 1 1 -4  38 26 o 61.02297 22.11427 119.5361       101.9108 218.0213       145.8200 25.50427       142.4850 76.96089 26.58493 54.12751 23.66335 22.83339       35.59091 
1 1 1 -4  38 27 o 77.44521 19.92300 207.2417       91.00490 127.9296       151.6719 251.8575       113.7574 65.35468 26.13825 83.88735 22.61265 -18.53267      34.56211 
1 1 1 -4  38 28 f 110.1999 14.95213 390.2772       94.14456 295.6576       264.6022 403.9913       100.7364 84.12114 34.20938 111.5728 15.83953 -27.45170      37.69844 
1 1 1 -4  38 29 o 136.5646 11.14206 575.6414       88.46397 457.3201       145.2677 645.3845       111.5291 113.2555 22.66227 143.0617 13.45054 -29.80615      26.35328 
1 1 1 -4  38 30 o 94.30367 16.47683 293.6037       87.81314 175.2524       137.1866 375.7555       114.2967 69.89599 25.60779 104.9246 19.28443 -35.02863      32.05695 
1 1 1 -4  39 1  o 135.2583 15.57085 565.7289       121.2660 588.1860       128.9463 393.8812       356.7011 137.6191 16.29204 105.0057 40.65876 32.61334       43.80143 
1 1 1 -4  39 2  o 158.4781 13.89029 766.8548       127.7974 805.9304       134.6160 410.1856       406.7027 162.3093 14.28742 107.0675 42.80832 55.24178       45.12962 
1 1 1 -4  39 3  o 163.8405 13.34438 817.0449       127.1148 829.7579       133.6737 696.9518       410.8482 164.8376 13.95846 129.1128 44.62281 35.72485       46.75504 
1 1 1 -4  39 4  o 129.2551 17.18331 523.4650       127.0343 531.4583       133.6984 449.2256       407.4553 129.8397 18.04472 109.4632 43.14183 20.37646       46.76355 
1 1 1 -4  39 5  o 164.6356 14.29877 830.0664       136.6938 830.0664       136.6938 0.000000       0.000000 164.6356 14.29877 ?        ?        0.000000       14.29877 
1 1 1 -4  39 6  o 152.2152 14.62011 712.1198       128.9115 772.4206       137.7697 287.9216       365.4068 158.3859 15.01070 96.69379 39.86018 61.69215       42.59290 
1 1 1 -4  39 7  o 65.76084 23.97544 125.4730       120.0351 120.9014       127.1453 162.9511       364.0478 65.76371 24.55069 88.46152 38.25559 -22.69781      45.45576 
1 1 1 -4  39 8  o 226.3019 10.00031 1533.751       132.3971 1476.595       141.8792 1918.986       368.3411 221.5770 10.95195 238.8560 26.75356 -17.27902      28.90844 
1 1 1 -4  39 9  o 79.84732 23.73450 213.2880       119.2788 201.9296       127.3683 294.2809       340.1148 77.94184 24.78000 95.25698 38.76735 -17.31514      46.01039 
1 1 1 -4  39 10 o 63.60437 24.05143 110.3850       122.8743 110.3850       122.8743 0.000000       0.000000 63.60437 24.05143 ?        ?        0.000000       24.05143 
1 1 1 -4  39 11 o 196.5876 11.22857 1166.573       128.9202 1255.674       144.6260 821.8828       284.4600 203.4748 12.17520 149.0875 33.36748 54.38731       35.51935 
1 1 1 -4  39 12 o 85.64123 22.52759 246.7629       114.6444 289.7593       129.2988 88.68121       247.9244 92.30990 23.74792 73.88338 31.75723 18.42651       39.65458 
1 1 1 -4  39 13 o 58.77285 22.74718 86.92161       111.6116 -5.920517      123.7794 490.7187       258.1412 49.91505 21.93181 112.3628 35.21992 -62.44771      41.49033 
1 1 1 -4  39 14 o 247.2269 9.206311 1829.521       133.2517 1833.124       154.9491 1819.292       261.1019 246.5690 10.74096 239.0431 18.77502 7.525940       21.63029 
1 1 1 -4  39 15 o 89.96301 23.53852 278.1736       125.6002 267.8140       135.9510 338.5403       328.1773 87.62803 25.14359 95.42098 38.35048 -7.792953      45.85803 
1 1 1 -4  39 16 o 141.9778 14.33583 626.7968       117.7363 526.6315       141.7673 849.4470       211.3629 126.9274 19.68138 158.6294 23.42295 -31.70203      30.59397 
1 1 1 -4  39 17 o 39.46360 18.47637 -83.94232      106.9927 -194.1327      130.0253 147.1192       188.2868 37.84222 18.40536 72.22369 29.04124 -34.38146      34.38242 
1 1 1 -4  39 18 o 65.31110 22.86656 136.9596       108.0655 182.3819       131.5657 42.76443       189.4621 73.34311 25.25573 62.78452 27.37038 10.55859       37.24231 
1 1 1 -4  39 19 o 77.86768 22.68892 209.7338       109.9194 172.9116       130.4230 300.0149       204.2198 71.69218 25.11937 88.92850 31.41004 -17.23633      40.21907 
1 1 1 -4  39 20 o 45.97301 20.31892 -7.356382      107.7179 -11.21382      127.4145 2.307933       201.6763 49.21409 21.90572 60.73988 27.25970 -11.52579      34.97073 
1 1 1 -4  39 21 o 79.41212 22.85449 221.3704       112.1637 245.7136       132.8918 161.0789       209.1405 82.54382 25.16858 73.59270 30.22734 8.951126       39.33382 
1 1 1 -4  39 22 o 105.9104 19.32287 375.2267       115.6010 278.1948       141.3923 570.8601       200.7659 86.96375 25.83895 123.1098 28.38685 -36.14607      38.38573 
1 1 1 -4  39 23 o 91.25778 21.48245 289.7788       113.0545 256.4021       146.7932 338.4390       177.2437 82.95497 26.62719 93.06092 29.18607 -10.10595      39.50739 
1 1 1 -4  39 24 o 82.22629 22.56487 240.9165       112.0930 250.5884       155.5274 230.4616       161.6994 81.40513 27.47092 78.53206 27.92895 2.873070       39.17496 
1 1 1 -4  39 25 o 62.68975 21.94440 130.8814       99.52207 147.7801       147.1521 116.6357       135.1088 67.44408 26.11470 62.84112 24.81929 4.602962       36.02742 
1 1 1 -4  39 26 o 75.69890 19.04777 196.6642       84.48212 190.4086       140.8277 200.1811       105.5925 72.52463 26.03343 74.81485 22.35386 -2.290222      34.31377 
1 1 1 -4  39 27 o 56.08309 19.55256 101.6926       78.96270 118.7772       142.7437 94.15935       94.78600 63.14161 25.32179 55.95163 21.13175 7.189987       32.98097 
1 1 1 -4  39 28 o 90.24773 17.99652 274.7830       91.90952 433.2306       144.6539 167.5119       119.0224 109.5349 23.23853 68.58367 23.99886 40.95119       33.40621 
1 1 1 -4  39 29 o 134.6206 11.94006 564.8376       93.29221 535.6269       127.9051 598.0435       136.3717 126.8118 17.67784 133.9726 17.79606 -7.160751      25.08397 
1 1 1 -4  40 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  40 2  o 165.9792 14.54141 848.2485       140.1219 848.2485       140.1219 0.000000       0.000000 165.9792 14.54141 ?        ?        0.000000       14.54141 
1 1 1 -4  40 3  o 125.6545 17.61849 499.9805       126.2741 463.1673       130.8137 1002.933       483.5209 120.0433 19.22973 146.1928 48.42102 -26.14953      52.09969 
1 1 1 -4  40 4  o 84.69523 24.18368 243.3179       126.0666 262.7076       130.5317 -25.63707      486.1511 87.81866 24.44755 86.06825 39.99108 1.750412       46.87184 
1 1 1 -4  40 5  o 88.01200 23.76341 262.7935       125.5062 283.3022       131.6674 58.91210       415.1436 91.18276 24.21622 85.01982 38.54380 6.162941       45.51977 
1 1 1 -4  40 6  o 135.1183 44.16957 805.2482       402.8362 0.000000       0.000000 805.2482       402.8362 ?        ?        135.1183 44.16957 0.000000       44.16957 
1 1 1 -4  40 7  o 125.2541 17.68259 498.2613       126.2846 558.8105       133.2866 -33.03157      394.8197 132.8326 17.53729 79.31364 36.56573 53.51896       40.55378 
1 1 1 -4  40 8  o 129.4359 16.02188 525.1398       119.0295 538.2974       125.5597 408.4248       373.9597 130.6783 16.76912 102.7751 41.06345 27.90316       44.35550 
1 1 1 -4  40 9  o 67.80385 25.25331 135.9037       134.3730 176.4809       145.5151 -99.03474      350.1418 74.09744 26.47895 72.47020 33.76256 1.627243       42.90740 
1 1 1 -4  40 10 o 223.2236 10.64614 1502.350       138.9727 1461.672       148.0846 1802.712       402.3927 219.6519 11.53584 222.8337 31.68237 -3.181747      33.71718 
1 1 1 -4  40 11 o 157.6531 14.67637 771.4462       134.1388 807.7656       139.9016 357.6350       472.2311 161.1696 14.97212 99.48030 43.29160 61.68933       45.80750 
1 1 1 -4  40 12 o 75.58318 24.66899 193.7814       125.6802 259.1660       130.8907 -578.7482      449.9129 86.27973 24.64397 65.59903 32.37485 20.68070       40.68730 
1 1 1 -4  40 13 o 50.06723 21.59946 14.87768       115.4999 -3.828572      128.9313 90.88784       259.8967 50.58129 22.29808 73.42976 32.03315 -22.84847      39.02983 
1 1 1 -4  40 14 o 83.15529 23.01711 239.0787       116.0676 86.62808       132.2537 750.0518       242.1263 60.49053 24.33376 142.5244 29.92153 -82.03389      38.56721 
1 1 1 -4  40 15 o 84.30314 23.68601 248.2044       121.9259 295.0708       131.7714 -30.72748      321.4690 91.64282 24.17341 71.09993 32.85577 20.54289       40.79038 
1 1 1 -4  40 16 o 121.5777 16.71560 473.3598       116.0347 301.7262       138.1036 885.3893       213.9774 92.07059 24.95664 161.1539 23.31686 -69.08335      34.15421 
1 1 1 -4  40 17 o 107.2884 18.74393 378.9791       113.6505 383.5200       136.2690 368.6035       205.9852 105.3616 22.72180 96.94271 31.57781 8.418854       38.90294 
1 1 1 -4  40 18 o 155.9055 12.99466 752.5837       117.7371 981.0205       147.1592 346.2874       196.2573 177.1804 14.28283 94.23484 30.83141 82.94559       33.97904 
1 1 1 -4  40 19 o 67.99863 23.61864 155.7882       115.1637 169.3714       141.8896 129.5656       197.1465 70.91434 26.03282 69.80366 29.07116 1.110687       39.02358 
1 1 1 -4  40 20 o 44.79865 20.30261 -32.27184      115.0663 -6.829720      140.4891 -84.12106      200.5566 51.34100 22.91754 54.66250 25.49497 -3.321499      34.28130 
1 1 1 -4  40 21 o 81.97623 23.37244 240.9221       117.8369 281.1039       143.5446 157.8883       206.3475 86.85666 26.08925 72.21697 29.87960 14.63969       39.66660 
1 1 1 -4  40 22 o 105.6228 19.32708 376.2160       115.3116 446.0784       143.8738 250.7324       192.8206 112.6933 22.55647 80.84546 30.22303 31.84786       37.71241 
1 1 1 -4  40 23 o 195.7380 10.76706 1172.026       123.1251 1083.607       160.7126 1297.666       191.5752 184.6804 14.96625 200.6416 16.42411 -15.96120      22.22026 
1 1 1 -4  40 24 o 47.41964 19.87226 35.58865       92.97874 -84.29306      147.7780 114.1425       119.6236 46.35619 21.70689 61.10291 23.57614 -14.74672      32.04721 
1 1 1 -4  40 25 o 87.96785 16.97557 257.4397       84.40609 503.8149       136.5186 104.9788       107.3921 121.5094 19.84126 58.66314 22.41368 62.84628       29.93407 
1 1 1 -4  40 26 o 98.32377 16.60777 319.0452       92.36049 334.0384       145.0237 308.8145       119.7969 93.72307 25.64479 92.70348 22.30615 1.019592       33.98852 
1 1 1 -4  40 27 o 94.26115 19.24383 305.1636       102.7807 23.14710       153.3769 535.0281       138.4710 54.56020 24.17355 125.3070 19.47441 -70.74676      31.04211 
1 1 1 -4  41 1  o 217.0341 11.74299 1428.811       148.9144 1428.811       148.9144 0.000000       0.000000 217.0341 11.74299 ?        ?        0.000000       11.74299 
1 1 1 -4  41 2  o 141.2966 16.17249 627.2271       131.6050 559.5480       138.2476 1281.160       429.7314 132.1488 18.33087 173.4402 42.56889 -41.29144      46.34794 
1 1 1 -4  41 3  o 265.0377 15.06082 2174.288       233.1393 2220.075       268.1886 2032.651       471.6884 265.6037 17.31126 230.1912 36.12774 35.41246       40.06112 
1 1 1 -4  41 4  o 87.32626 24.17804 263.0765       128.0525 213.0372       133.1344 881.2502       467.9394 78.93268 25.36029 133.2510 47.49818 -54.31831      53.84442 
1 1 1 -4  41 5  o 138.9377 16.76277 610.6371       133.8320 658.2102       141.2456 192.8089       418.5942 144.1373 17.03789 89.49778 39.77850 54.63950       43.27376 
1 1 1 -4  41 6  o 139.8463 16.43695 617.5016       132.2392 675.2302       138.7972 49.55238       435.3519 146.2859 16.46364 83.62192 38.49586 62.66402       41.86864 
1 1 1 -4  41 7  o 169.8294 13.70736 889.8694       135.3674 902.5040       141.9878 763.7815       448.5461 170.6571 14.31842 123.9611 46.14460 46.69604       48.31503 
1 1 1 -4  41 8  o 61.72320 24.00084 101.5626       124.6963 128.9643       131.0294 -161.5193      405.9995 65.97933 24.86168 73.21301 34.79097 -7.233681      42.76114 
1 1 1 -4  41 9  o 68.60065 23.71438 153.7508       116.0381 117.9430       121.1073 554.8286       405.3175 63.51576 23.90868 109.1559 43.02610 -45.64014      49.22266 
1 1 1 -4  41 10 o 201.3133 11.81957 1236.065       138.9343 1236.065       138.9343 0.000000       0.000000 201.3133 11.81957 ?        ?        0.000000       11.81957 
1 1 1 -4  41 11 o 85.58250 24.27312 257.3678       127.4263 262.4002       132.0000 188.5009       488.3060 86.17323 24.79098 89.52216 41.04910 -3.348923      47.95437 
1 1 1 -4  41 12 o 49.32513 21.63698 1.753153       120.0251 -68.33103      132.4430 323.7928       283.9053 45.73586 21.11858 91.49409 36.02655 -45.75823      41.76011 
1 1 1 -4  41 13 o 71.76991 24.25099 175.1023       121.2051 218.9035       134.8994 -8.369982      276.0911 78.74092 25.54774 67.94059 31.04502 10.80033       40.20547 
1 1 1 -4  41 14 f 45.81678 20.59815 -25.58153      115.7102 -24.88198      128.8805 -28.48905      262.7484 48.30626 21.72629 65.37506 30.02645 -17.06880      37.06237 
1 1 1 -4  41 15 o 122.5158 17.68879 487.6369       123.4226 418.9700       142.7103 691.4160       245.8450 109.9331 22.88016 132.9403 31.93332 -23.00722      39.28408 
1 1 1 -4  41 16 o 82.31783 22.93516 238.8930       114.8297 211.8192       137.5080 301.2754       208.7301 76.97822 25.82978 87.80974 31.67212 -10.83152      40.86931 
1 1 1 -4  41 17 o 70.06311 23.46283 169.5211       113.4670 245.3007       137.6416 8.801320       200.4511 81.91897 25.72362 60.41720 27.14082 21.50177       37.39424 
1 1 1 -4  41 18 o 53.76734 22.26936 56.68805       114.7862 54.77816       144.0323 60.01254       190.0281 57.35345 24.41709 62.87332 27.41013 -5.519875      36.70844 
1 1 1 -4  41 19 o 140.1313 15.20073 626.0643       122.9267 746.1478       151.3127 392.9650       210.8163 151.3205 17.36436 97.32398 31.96094 53.99648       36.37338 
1 1 1 -4  41 20 o 67.89914 24.02219 158.6407       119.4899 224.8590       144.9156 18.00447       211.1907 77.87177 26.51501 61.49491 27.72145 16.37685       38.36045 
1 1 1 -4  41 21 o 182.2603 12.15381 1028.459       129.1714 1162.649       158.7098 765.1593       222.3159 192.0202 14.19342 142.6333 27.57422 49.38689       31.01275 
1 1 1 -4  41 22 o 140.9401 14.78701 633.9565       120.4087 753.5768       156.4031 459.8959       188.6658 150.9353 18.02452 107.4100 29.19273 43.52531       34.30888 
1 1 1 -4  41 23 o 100.5932 18.44123 341.3092       104.7870 531.6654       160.4937 199.8705       138.3434 121.7145 23.33241 73.54974 25.86303 48.16477       34.83242 
1 1 1 -4  41 24 o 56.19717 21.36973 94.81894       97.32722 273.9202       156.0590 -19.18280      124.5074 83.50185 27.50255 46.96131 21.21679 36.54054       34.73532 
1 1 1 -4  41 25 o 90.86296 20.41847 289.0532       106.1494 353.4802       159.0224 237.2757       142.5592 94.85895 27.18565 78.63957 26.29867 16.21938       37.82432 
1 1 1 -4  42 1  o 111.3917 20.34739 412.3176       128.0299 433.2323       135.2159 231.0893       398.0294 113.8028 21.03390 88.71037 39.13958 25.09244       44.43345 
1 1 1 -4  42 2  o 161.3593 14.52436 811.5707       135.9796 845.6955       144.1579 536.1617       409.5367 164.3341 15.12717 107.1164 42.91334 57.21767       45.50150 
1 1 1 -4  42 3  o 86.60905 24.41994 263.7756       129.3610 232.2734       136.6699 534.8950       400.9432 81.15849 25.65258 107.1239 42.61220 -25.96539      49.73786 
1 1 1 -4  42 4  o 129.5741 17.84125 541.4629       131.9843 614.0396       138.2890 -200.4868      442.1569 138.3663 17.42719 73.77233 35.39584 64.59397       39.45342 
1 1 1 -4  42 5  o 103.4754 22.16298 365.2625       130.4462 398.9528       135.7930 -37.45284      469.4875 108.2882 22.12999 80.46469 37.99210 27.82355       43.96744 
1 1 1 -4  42 6  o 99.60213 22.31507 340.0063       127.1121 308.1524       132.3973 715.2573       454.4211 93.72712 23.98814 117.0140 45.72652 -23.28690      51.63666 
1 1 1 -4  42 7  o 50.17664 22.04151 1.903082       124.9531 15.71258       129.8580 -170.6078      458.9742 52.31194 22.73408 75.37443 36.13765 -23.06248      42.69388 
1 1 1 -4  42 8  o 82.09579 24.62521 238.3373       127.9518 238.7384       133.1271 233.4777       463.4040 81.96613 25.22849 89.74996 40.70186 -7.783836      47.88651 
1 1 1 -4  42 9  o 160.8822 14.05127 806.6306       131.2496 703.9675       137.2019 1913.401       450.4864 148.9720 15.95187 217.1043 36.68615 -68.13226      40.00420 
1 1 1 -4  42 10 o 142.8599 15.97793 648.8140       131.5793 639.9221       137.1002 752.5977       468.3877 141.2473 16.88441 116.5552 46.15553 24.69212       49.14688 
1 1 1 -4  42 11 o 95.22395 23.60003 319.6837       131.1271 397.8693       136.2545 -660.9031      482.5367 107.4441 22.35195 64.50137 32.12269 42.94276       39.13409 
1 1 1 -4  42 12 o 76.69422 24.36637 208.2657       123.1697 110.6299       135.4670 673.9790       295.8614 62.98347 24.85943 123.3241 37.54399 -60.34059      45.02824 
1 1 1 -4  42 13 o 168.3782 13.79120 885.3548       134.9956 724.4506       149.9093 1575.472       310.4604 149.5529 17.41718 210.5622 25.67057 -61.00928      31.02154 
1 1 1 -4  42 14 o 96.13174 24.23486 332.4261       136.5752 319.2752       146.6421 418.4626       375.0798 92.97296 25.92344 95.17857 39.90176 -2.205605      47.58335 
1 1 1 -4  42 15 o 90.14618 23.55379 291.1489       125.8778 254.5665       147.1247 391.0817       243.1664 82.69659 26.66781 95.68155 34.22509 -12.98496      43.38812 
1 1 1 -4  42 16 o 177.1291 12.04888 968.7397       124.4211 940.7602       150.8612 1028.249       220.0142 172.1192 15.09781 172.7173 22.23554 -0.5981293     26.87681 
1 1 1 -4  42 17 f 96.04094 21.74331 323.2192       119.6108 211.2552       141.7196 600.4656       223.0096 75.95929 26.20986 122.1955 31.05763 -46.23621      40.63906 
1 1 1 -4  42 18 o 64.09253 23.64572 134.6454       117.3017 146.5661       138.8877 104.9849       219.0795 66.84663 25.50181 68.11729 29.56635 -1.270660      39.04499 
1 1 1 -4  42 19 o 126.4908 17.07595 524.2510       123.4435 557.7975       146.9213 443.7182       227.6400 127.9472 20.25311 101.0290 33.21352 26.91823       38.90150 
1 1 1 -4  42 20 o 46.83735 20.94053 -8.989659      117.7908 98.31572       139.0721 -281.3515      221.5656 60.60594 24.74288 47.92309 23.46329 12.68285       34.09892 
1 1 1 -4  42 21 o 105.4153 20.63820 385.9680       123.0240 351.2939       148.3433 462.3474       220.1677 96.15317 25.78013 103.0599 32.55695 -6.906738      41.52795 
1 1 1 -4  42 22 f 131.1921 17.12077 567.2605       128.5892 803.9500       165.4418 206.0786       204.3708 154.9984 18.56898 74.87493 30.20378 80.12350       35.45526 
1 1 1 -4  42 23 o 46.79661 20.93770 -7.365864      117.9907 127.3994       172.0977 -126.8992      162.0804 65.68951 27.24298 45.84372 21.84075 19.84580       34.91702 
1 1 1 -4  43 1  o 190.8457 12.45251 1120.242       138.6154 1055.906       146.6076 1662.527       425.6409 184.4016 13.65315 200.1330 37.64521 -15.73145      40.04461 
1 1 1 -4  43 2  o 176.3796 13.79353 967.6654       141.5496 993.1035       151.2681 788.5626       401.3809 178.0804 14.61215 124.0960 44.01579 53.98438       46.37785 
1 1 1 -4  43 3  o 260.1608 11.48309 2064.878       174.7752 2064.878       174.7752 0.000000       0.000000 260.1608 11.48309 ?        ?        0.000000       11.48309 
1 1 1 -4  43 4  o 206.4110 12.14734 1307.530       146.3998 1273.356       156.6431 1543.492       411.6048 202.8458 13.23959 191.8954 37.91849 10.95035       40.16340 
1 1 1 -4  43 5  o 201.7600 14.36530 1272.257       168.8691 1388.644       184.0439 652.5054       424.6942 210.2196 15.02697 111.2557 43.98374 98.96392       46.47988 
1 1 1 -4  43 6  o 77.70982 25.10513 215.2293       130.3497 250.5021       136.4615 -152.2903      440.4850 83.15616 25.53297 73.39102 35.24319 9.765137       43.52028 
1 1 1 -4  43 7  o 56.69770 23.46996 65.36814       127.3987 122.2776       133.5828 -506.9339      423.6146 64.23386 24.87885 62.89621 31.10953 1.337650       39.83416 
1 1 1 -4  43 8  o 41.98660 19.80766 -102.8580      127.1243 -76.92107      134.0305 -335.2562      401.2001 45.01924 20.94510 65.19812 31.84683 -20.17888      38.11716 
1 1 1 -4  43 9  o 216.7521 11.36873 1437.451       144.0140 1415.513       151.6758 1638.290       458.9229 214.4936 12.10648 187.2763 42.73048 27.21729       44.41240 
1 1 1 -4  43 10 o 143.2445 17.87216 670.2233       146.8859 670.2233       146.8859 0.000000       0.000000 143.2445 17.87216 ?        ?        0.000000       17.87216 
1 1 1 -4  43 11 o 100.3108 22.93567 355.4503       131.9853 329.0066       142.4770 515.4214       350.4327 94.74545 25.20364 102.0935 40.07843 -7.348076      47.34452 
1 1 1 -4  43 12 o 162.6548 13.89661 830.6899       131.2955 783.9500       144.4181 1053.385       315.2342 156.3597 15.97290 158.9211 34.78936 -2.561340      38.28098 
1 1 1 -4  43 13 o 54.39222 22.94761 51.76556       125.2967 27.01988       136.9398 179.0025       310.5181 53.49078 23.29485 78.17640 34.52767 -24.68562      41.65105 
1 1 1 -4  43 14 o 97.93219 22.52331 339.8285       126.6622 348.1726       143.1703 309.7756       271.7086 97.23462 24.97608 86.30005 34.82123 10.93457       42.85234 
1 1 1 -4  43 15 o 146.7833 15.12681 687.7617       128.3565 677.0767       150.0012 716.9797       248.0475 143.0424 18.29902 132.1960 32.27848 10.84642       37.10464 
1 1 1 -4  43 16 o 60.08016 24.30491 96.89001       132.7587 84.92631       138.2688 238.0846       475.0075 59.25256 24.48187 84.39925 39.32159 -25.14669      46.32007 
1 1 1 -4  43 17 o 67.32112 24.24936 157.3733       122.3083 100.8561       142.7128 313.7193       237.3646 61.23739 25.04028 85.86365 33.18879 -24.62626      41.57536 
1 1 1 -4  43 18 o 88.29356 23.43252 285.5879       123.3376 221.5440       149.8705 419.9852       217.1063 76.44988 26.91598 98.20190 32.44301 -21.75201      42.15470 
1 1 1 -4  43 19 o 115.9087 18.89508 454.2617       124.0237 606.1117       148.2352 99.92203       226.4404 133.6159 19.49031 67.26346 29.60523 66.35243       35.44492 
1 1 1 -4  43 20 o 44.75471 20.52500 -40.89356      122.1497 -99.32907      141.9749 125.6144       239.6573 44.20372 20.87756 69.73047 30.58152 -25.52675      37.02840 
1 1 1 -4  43 21 o 46.96727 21.34446 -24.65004      128.2605 62.37994       152.9022 -231.2952      235.6091 57.79638 24.89219 50.98530 24.79275 6.811077       35.13263 
1 1 1 -4  44 1  o 69.48758 25.19527 163.8402       132.3090 150.1124       139.1726 292.8081       426.5747 67.90005 25.61444 88.34789 39.64801 -20.44784      47.20238 
1 1 1 -4  44 2  o 150.6464 16.77666 732.2703       145.7108 710.6653       154.1378 913.8079       446.8015 147.2035 18.24443 125.5964 46.18090 21.60710       49.65416 
1 1 1 -4  44 3  o 207.1505 13.13170 1333.121       158.7145 1395.141       171.0344 948.5556       425.8964 211.2404 13.88257 130.7014 45.41892 80.53896       47.49320 
1 1 1 -4  44 4  o 137.9280 17.81821 622.4532       140.7699 601.8550       152.2481 743.8150       369.5533 133.8749 20.00364 119.5627 42.25099 14.31218       46.74711 
1 1 1 -4  44 5  o 65.70856 24.91185 137.8424       132.0254 157.2758       140.5094 -8.657505      385.7896 68.73299 25.77811 73.67093 34.67833 -4.937943      43.20993 
1 1 1 -4  44 6  o 199.1857 12.58714 1229.097       146.2881 1293.281       156.4617 783.1490       412.4189 203.8369 13.15834 117.7398 44.16269 86.09712       46.08128 
1 1 1 -4  44 7  o 105.8235 23.11134 397.2864       139.4092 531.5101       148.3380 -618.0372      407.9812 124.6315 21.04277 58.42479 29.16582 66.20672       35.96447 
1 1 1 -4  44 8  o 103.4454 23.28170 381.6883       137.8258 404.9287       146.2709 197.6807       411.5790 105.9802 24.08224 82.45057 37.76163 23.52962       44.78722 
1 1 1 -4  44 9  o 98.02170 23.62651 345.9968       134.2192 279.2051       141.3568 957.7187       427.7918 86.35241 25.87865 128.6921 45.46014 -42.33973      52.30993 
1 1 1 -4  44 10 f 91.20042 24.83480 306.8625       136.3878 346.2487       140.9173 -276.4258      542.2931 97.14188 24.68721 73.24562 36.03157 23.89626       43.67759 
1 1 1 -4  44 11 o 63.36073 24.43954 124.8652       128.5162 84.71008       138.1310 383.5531       350.5975 59.34106 24.48929 90.88620 38.36721 -31.54514      45.51667 
1 1 1 -4  44 12 o 85.21120 28.28422 283.9569       164.9579 198.2753       179.2914 756.4651       421.0371 74.31548 28.81200 112.5352 44.00360 -38.21970      52.59703 
1 1 1 -4  44 13 o 102.5837 21.26066 367.7165       123.7045 250.7987       134.4669 1011.637       315.5668 81.75074 25.38825 151.6612 36.01746 -69.91042      44.06609 
1 1 1 -4  44 14 o 88.68950 23.00519 285.5294       120.6637 217.6282       137.7799 509.0185       249.9628 76.25520 25.85548 105.5367 34.80914 -29.28148      43.36106 
1 1 1 -4  44 15 o 132.3065 16.50484 571.9258       125.2913 464.2204       145.5686 879.7642       246.0993 114.1990 22.53533 150.2338 28.98151 -36.03481      36.71197 
1 1 1 -4  44 16 o 122.3499 17.68262 497.5738       123.2061 527.9695       150.1609 434.9564       215.5253 122.6728 21.66361 99.93795 32.28134 22.73486       38.87669 
1 1 1 -4  44 17 o 112.1764 19.89083 432.2452       126.0684 414.0464       154.5324 468.4586       217.9885 104.8949 25.39441 103.7197 32.34338 1.175240       41.12141 
1 1 1 -4  44 18 o 43.32603 20.08844 -57.53155      121.6780 -82.92417      152.5476 -13.12034      201.7428 46.82552 21.96752 57.44339 26.35659 -10.61787      34.31095 
1 1 1 -4  45 1  o 102.2577 23.12957 373.4115       135.4538 303.0807       141.3412 1165.275       474.2653 90.06561 25.57064 137.9217 47.92864 -47.85607      54.32322 
1 1 1 -4  45 2  o 206.7151 13.49918 1337.247       162.7601 1337.247       162.7601 0.000000       0.000000 206.7151 13.49918 ?        ?        0.000000       13.49918 
1 1 1 -4  45 3  o 122.1868 21.47128 516.3634       148.2500 452.2207       157.0551 1040.768       449.0677 111.4376 24.68194 131.6240 46.56944 -20.18643      52.70589 
1 1 1 -4  45 4  o 58.18651 24.55293 68.44311       143.4832 39.24310       154.1902 257.0570       391.8793 56.67606 24.69975 84.06880 37.84164 -27.39275      45.18924 
1 1 1 -4  45 5  o 56.84990 24.10276 60.20583       139.3554 113.1597       149.9150 -276.4551      378.0009 63.49603 25.77627 63.60477 31.03452 -0.1087379     40.34300 
1 1 1 -4  45 6  o 232.1532 12.18841 1668.062       165.3668 1668.062       165.3668 0.000000       0.000000 232.1532 12.18841 ?        ?        0.000000       12.18841 
1 1 1 -4  45 7  o 69.03315 25.68042 165.1792       138.8769 281.0424       147.0156 -795.2165      423.2682 85.73822 26.53321 55.81522 28.11619 29.92300       38.65917 
1 1 1 -4  45 8  o 46.84738 21.67516 -58.05368      140.5412 -93.27380      148.7084 236.4256       429.9989 45.90430 21.58381 82.96528 38.21705 -37.06098      43.89082 
1 1 1 -4  45 9  o 47.39666 21.91277 -55.63126      143.2412 -49.80540      151.7067 -103.5051      434.8844 49.11864 22.65259 71.24615 34.41508 -22.12751      41.20118 
1 1 1 -4  45 10 o 55.53733 23.59976 57.09895       134.1165 34.47474       146.7487 171.7972       330.4199 54.91941 24.01205 76.82180 34.64870 -21.90239      42.15579 
1 1 1 -4  45 11 o 168.0316 14.63655 900.1265       142.8003 859.6541       158.3677 1076.158       330.2800 162.0680 16.91018 154.0139 37.02428 8.054092       40.70321 
1 1 1 -4  45 12 o 139.4590 15.89441 630.8621       127.6816 457.0310       140.0017 1490.169       311.2747 113.8885 21.75358 198.2247 27.51636 -84.33623      35.07660 
1 1 1 -4  45 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  45 14 o 74.00268 24.34318 202.5791       122.2780 224.1023       139.3441 130.5026       254.9952 76.78930 26.00211 70.76502 31.27004 6.024277       40.66848 
1 1 1 -4  45 15 o 62.55760 23.93131 127.8373       122.5270 74.13894       142.6855 278.6282       239.1038 57.86718 24.45475 81.27753 32.71083 -23.41035      40.84156 
1 1 1 -4  46 1  o 72.38425 26.18711 191.7959       142.8276 191.7959       142.8276 0.000000       0.000000 72.38425 26.18711 ?        ?        0.000000       26.18711 
1 1 1 -4  46 2  o 213.9850 12.97868 1432.232       162.1129 1432.232       162.1129 0.000000       0.000000 213.9850 12.97868 ?        ?        0.000000       12.97868 
1 1 1 -4  46 3  o 101.8158 24.44220 383.2032       144.0981 257.1857       155.5792 1143.718       382.1995 81.24409 27.47536 149.4483 41.91726 -68.20423      50.11937 
1 1 1 -4  46 4  o 140.8599 17.72987 657.3614       143.2308 733.3452       159.6524 343.9593       324.2397 147.7958 18.84705 86.72449 36.76687 61.07133       41.31602 
1 1 1 -4  46 5  o 115.8450 25.17110 498.4634       166.1148 724.9005       196.5808 -67.00285      310.6496 140.9202 24.68489 64.66074 30.64118 76.25947       39.34750 
1 1 1 -4  46 6  o 58.10385 24.16280 80.47325       135.9048 135.8069       151.5365 -146.9869      307.2382 65.50728 26.15095 61.31663 29.44205 4.190647       39.37901 
1 1 1 -4  46 7  o 73.22089 26.00811 198.9515       140.1830 234.0408       153.9999 29.30894       338.6106 77.90800 27.29568 70.24158 32.88075 7.666420       42.73404 
1 1 1 -4  46 8  o 90.06884 26.69485 315.7252       151.0654 366.2181       163.6449 24.66281       392.8982 96.34406 27.56731 72.69863 34.45292 23.64542       44.12437 
1 1 1 -4  46 9  o 54.27266 23.97191 24.90877       149.7026 -27.51828      162.3582 322.4131       386.7614 51.92784 23.75788 84.91640 37.95655 -32.98856      44.77875 
1 1 1 -4  46 10 o 68.50092 26.10787 164.9625       145.4787 203.9356       163.2235 14.38769       320.8308 73.66222 27.75018 68.24699 31.96602 5.415230       42.33083 
1 1 1 -4  46 11 o 42.59323 20.31360 -121.5079      140.9735 -78.11471      158.5227 -285.5852      308.2513 47.94091 22.45966 56.43624 27.64052 -8.495323      35.61509 
1 1 1 -4  47 1  o 52.62735 23.29121 19.04963       141.9972 19.04963       141.9972 0.000000       0.000000 52.62735 23.29121 ?        ?        0.000000       23.29121 
1 1 1 -4  47 2  o 74.53618 25.76806 210.1880       137.0073 231.9691       144.1448 6.448090       440.8560 77.51614 26.44341 73.39542 35.24862 4.120720       44.06494 
1 1 1 -4  47 3  o 53.00113 23.62673 13.42396       148.7944 13.42396       148.7944 0.000000       0.000000 53.00113 23.62673 ?        ?        0.000000       23.62673 
1 1 1 -4  47 4  o 57.69404 24.16476 78.53925       137.3700 123.2109       149.4503 -164.7540      348.7752 63.52426 25.75512 63.17864 30.59101 0.3456154      39.98920 
1 1 1 -3  0  1  o 98.41599 8.134979 289.9016       46.19021 289.9016       46.19021 289.9016       46.19021 98.41599 8.134979 98.41599 8.134979 -0.000000      0.000000 
1 1 1 -3  0  2  o 74.30506 9.167434 169.2241       38.31889 169.2241       38.31889 169.2241       38.31889 74.30506 9.167434 74.30506 9.167434 0.000000       0.000000 
1 1 1 -3  0  3  o 220.5743 7.682708 1432.343       99.11105 1432.343       99.11105 1432.343       99.11105 220.5743 7.682708 220.5743 7.682708 0.000000       0.000000 
1 1 1 -3  0  4  o 422.2503 10.98485 5242.397       271.6125 5242.397       271.6125 5242.397       271.6125 422.2503 10.98485 422.2503 10.98485 0.000000       0.000000 
1 1 1 -3  0  5  o 679.2806 16.17269 13573.25       643.4661 13573.25       643.4661 13573.25       643.4661 679.2806 16.17269 679.2806 16.17269 0.000000       0.000000 
1 1 1 -3  0  6  o 132.0501 7.007142 515.7704       53.91513 515.7704       53.91513 515.7704       53.91513 132.0501 7.007142 132.0501 7.007142 -0.000000      0.000000 
1 1 1 -3  0  7  o 199.0837 7.431838 1167.453       86.49771 1167.453       86.49771 1167.453       86.49771 199.0837 7.431838 199.0837 7.431838 0.000000       0.000000 
1 1 1 -3  0  8  o 363.9628 9.920553 3895.589       211.4041 3895.589       211.4041 3895.589       211.4041 363.9628 9.920553 363.9628 9.920553 0.000000       0.000000 
1 1 1 -3  0  9  o 466.8573 11.85678 6410.243       324.1664 6410.243       324.1664 6410.243       324.1664 466.8573 11.85678 466.8573 11.85678 0.000000       0.000000 
1 1 1 -3  0  10 o 738.2101 17.43967 16049.43       754.0863 16049.43       754.0863 16049.43       754.0863 738.2101 17.43967 738.2101 17.43967 0.000000       0.000000 
1 1 1 -3  0  11 o 26.80446 14.33737 30.16927       30.80285 30.16927       30.80285 30.16927       30.80285 26.80446 14.33737 26.80446 14.33737 0.000000       0.000000 
1 1 1 -3  0  12 o 251.2571 8.171104 1858.499       120.1177 1858.499       120.1177 1858.499       120.1177 251.2571 8.171104 251.2571 8.171104 -0.000000      0.000000 
1 1 1 -3  0  13 o 259.0117 6.853050 1972.367       103.9360 1972.367       103.9360 1972.367       103.9360 259.0117 6.853050 259.0117 6.853050 0.000000       0.000000 
1 1 1 -3  0  14 o 646.9213 13.04600 12305.84       494.5163 12305.84       494.5163 12305.84       494.5163 646.9213 13.04600 646.9213 13.04600 -0.000000      0.000000 
1 1 1 -3  0  15 o 749.5298 14.87007 16518.92       653.0803 16518.92       653.0803 16518.92       653.0803 749.5298 14.87007 749.5298 14.87007 0.000000       0.000000 
1 1 1 -3  0  16 o 304.3229 7.640520 2721.781       136.1724 2721.781       136.1724 2721.781       136.1724 304.3229 7.640520 304.3229 7.640520 0.000000       0.000000 
1 1 1 -3  0  17 o 359.4540 8.507516 3796.583       179.1211 3796.583       179.1211 3796.583       179.1211 359.4540 8.507516 359.4540 8.507516 0.000000       0.000000 
1 1 1 -3  0  18 o 537.0974 11.11143 8475.167       349.6663 8475.167       349.6663 8475.167       349.6663 537.0974 11.11143 537.0974 11.11143 0.000000       0.000000 
1 1 1 -3  0  19 o 497.2870 10.56086 7265.603       307.6909 7265.603       307.6909 7265.603       307.6909 497.2870 10.56086 497.2870 10.56086 0.000000       0.000000 
1 1 1 -3  0  20 o 190.3724 9.176368 1070.621       101.9082 1070.621       101.9082 1070.621       101.9082 190.3724 9.176368 190.3724 9.176368 0.000000       0.000000 
1 1 1 -3  0  21 o 520.7746 11.24024 7969.863       342.9408 7969.863       342.9408 7969.863       342.9408 520.7746 11.24024 520.7746 11.24024 0.000000       0.000000 
1 1 1 -3  0  22 o 17.91087 12.93716 -132.7852      70.06689 -132.7852      70.06689 -132.7852      70.06689 17.91087 12.93716 17.91087 12.93716 0.000000       0.000000 
1 1 1 -3  0  23 o 543.2492 11.42833 8673.823       363.7462 8673.823       363.7462 8673.823       363.7462 543.2492 11.42833 543.2492 11.42833 0.000000       0.000000 
1 1 1 -3  0  24 f 178.9341 8.996358 946.6351       93.86117 946.6351       93.86117 946.6351       93.86117 178.9341 8.996358 178.9341 8.996358 0.000000       0.000000 
1 1 1 -3  0  25 o 194.1440 8.708732 1112.793       98.70284 1112.793       98.70284 1112.793       98.70284 194.1440 8.708732 194.1440 8.708732 0.000000       0.000000 
1 1 1 -3  0  26 o 192.0556 8.701619 1089.261       97.55214 1089.261       97.55214 1089.261       97.55214 192.0556 8.701619 192.0556 8.701619 0.000000       0.000000 
1 1 1 -3  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  28 o 187.3448 8.832726 1037.411       96.55481 1037.411       96.55481 1037.411       96.55481 187.3448 8.832726 187.3448 8.832726 0.000000       0.000000 
1 1 1 -3  0  29 o 194.6851 8.786346 1119.857       99.85435 1119.857       99.85435 1119.857       99.85435 194.6851 8.786346 194.6851 8.786346 0.000000       0.000000 
1 1 1 -3  0  30 o 39.28720 20.74057 66.02502       63.75236 66.02502       63.75236 66.02502       63.75236 39.28720 20.74057 39.28720 20.74057 0.000000       0.000000 
1 1 1 -3  0  31 o 125.3383 11.15753 472.8453       80.45210 472.8453       80.45210 472.8453       80.45210 125.3383 11.15753 125.3383 11.15753 0.000000       0.000000 
1 1 1 -3  0  32 o 281.5760 8.599617 2335.751       141.7120 2335.751       141.7120 2335.751       141.7120 281.5760 8.599617 281.5760 8.599617 0.000000       0.000000 
1 1 1 -3  0  33 f 72.73895 21.98239 193.6279       81.77452 193.6279       81.77452 193.6279       81.77452 72.73895 21.98239 72.73895 21.98239 0.000000       0.000000 
1 1 1 -3  0  34 o 177.1547 11.16757 934.0326       114.9580 934.0326       114.9580 934.0326       114.9580 177.1547 11.16757 177.1547 11.16757 0.000000       0.000000 
1 1 1 -3  0  35 o 146.0038 13.54431 643.9160       113.5553 643.9160       113.5553 643.9160       113.5553 146.0038 13.54431 146.0038 13.54431 -0.000000      0.000000 
1 1 1 -3  0  36 o 205.0131 10.39862 1245.721       124.2904 1245.721       124.2904 1245.721       124.2904 205.0131 10.39862 205.0131 10.39862 0.000000       0.000000 
1 1 1 -3  0  37 o 218.8348 10.27637 1418.259       131.2235 1418.259       131.2235 1418.259       131.2235 218.8348 10.27637 218.8348 10.27637 -0.000000      0.000000 
1 1 1 -3  0  38 o 206.5574 10.95120 1267.184       131.8070 1267.184       131.8070 1267.184       131.8070 206.5574 10.95120 206.5574 10.95120 0.000000       0.000000 
1 1 1 -3  0  39 o 370.4151 10.12903 4049.499       219.6707 4049.499       219.6707 4049.499       219.6707 370.4151 10.12903 370.4151 10.12903 -0.000000      0.000000 
1 1 1 -3  0  40 o 129.5367 17.56493 524.7731       126.5229 524.7731       126.5229 524.7731       126.5229 129.5367 17.56493 129.5367 17.56493 -0.000000      0.000000 
1 1 1 -3  0  41 o 189.0475 13.31448 1073.343       145.9072 1073.343       145.9072 1073.343       145.9072 189.0475 13.31448 189.0475 13.31448 0.000000       0.000000 
1 1 1 -3  0  42 o 46.02578 26.19483 87.09250       110.2346 87.09250       110.2346 87.09250       110.2346 46.02578 26.19483 46.02578 26.19483 0.000000       0.000000 
1 1 1 -3  0  43 f 77.55659 28.73974 246.8277       121.2825 246.8277       121.2825 246.8277       121.2825 77.55659 28.73974 77.55659 28.73974 -0.000000      0.000000 
1 1 1 -3  0  44 o 123.0123 18.62503 485.8704       125.2616 485.8704       125.2616 485.8704       125.2616 123.0123 18.62503 123.0123 18.62503 0.000000       0.000000 
1 1 1 -3  0  45 o 225.3601 11.69961 1522.411       153.6750 1522.411       153.6750 1522.411       153.6750 225.3601 11.69961 225.3601 11.69961 0.000000       0.000000 
1 1 1 -3  0  46 o 33.65574 22.47124 -27.02690      121.3833 -27.02690      121.3833 -27.02690      121.3833 33.65574 22.47124 33.65574 22.47124 0.000000       0.000000 
1 1 1 -3  0  47 o 205.4263 12.85627 1278.384       153.4825 1278.384       153.4825 1278.384       153.4825 205.4263 12.85627 205.4263 12.85627 0.000000       0.000000 
1 1 1 -3  0  48 o 204.9927 13.38283 1279.362       159.2981 1279.362       159.2981 1279.362       159.2981 204.9927 13.38283 204.9927 13.38283 -0.000000      0.000000 
1 1 1 -3  0  49 o 40.15062 25.88328 24.97079       141.0757 24.97079       141.0757 24.97079       141.0757 40.15062 25.88328 40.15062 25.88328 0.000000       0.000000 
1 1 1 -3  0  50 o 136.8140 22.07518 628.0236       163.3053 628.0236       163.3053 628.0236       163.3053 136.8140 22.07518 136.8140 22.07518 0.000000       0.000000 
1 1 1 -3  0  51 o 61.09288 33.13226 196.4107       166.6333 196.4107       166.6333 196.4107       166.6333 61.09288 33.13226 61.09288 33.13226 -0.000000      0.000000 
1 1 1 -3  0  52 o 90.77258 37.35178 400.4406       196.6977 400.4406       196.6977 400.4406       196.6977 90.77258 37.35178 90.77258 37.35178 -0.000000      0.000000 
1 1 1 -3  1  1  o 283.2657 6.095061 2353.895       101.2564 2480.271       146.8095 2239.231       139.8409 290.5828 8.624115 276.0878 8.647139 14.49500       12.21263 
1 1 1 -3  1  2  o 66.53856 6.462569 131.1109       24.90180 132.5409       34.13111 129.4834       36.41242 66.60351 8.965284 65.70635 9.743910 0.8971558      13.24085 
1 1 1 -3  1  3  o 261.3707 5.815420 2003.997       89.14325 2037.561       127.0856 1971.488       125.0737 263.3722 8.237782 259.0622 8.242600 4.309998       11.65339 
1 1 1 -3  1  4  o 498.9085 8.797733 7305.251       257.4200 7138.411       358.3254 7483.190       370.0513 492.8141 12.40765 504.7274 12.50128 -11.91333      17.61340 
1 1 1 -3  1  5  o 455.2354 8.189101 6081.572       218.6366 6114.069       310.2920 6049.530       308.1170 456.1318 11.60868 453.7180 11.58870 2.413727       16.40303 
1 1 1 -3  1  6  o 692.1955 11.59362 14071.05       470.6504 13873.45       658.3770 14277.56       673.0663 686.8124 16.34504 696.7275 16.47193 -9.915039      23.20527 
1 1 1 -3  1  7  f 462.9777 8.300305 6290.586       225.3745 6466.270       324.6305 6127.125       313.1354 469.0565 11.81025 456.5917 11.70339 12.46481       16.62683 
1 1 1 -3  1  8  o 412.9739 7.625881 5004.864       184.6984 5094.163       264.1432 4919.434       258.3589 416.3430 10.82696 409.1397 10.77654 7.203247       15.27602 
1 1 1 -3  1  9  o 529.5698 9.236267 8234.127       286.8601 8201.652       404.5918 8266.954       406.7800 528.1900 13.06100 530.2867 13.07972 -2.096680      18.48428 
1 1 1 -3  1  10 o 595.9586 10.19444 10434.07       356.3114 10499.64       506.3657 10369.76       501.4709 597.2722 14.45578 593.5742 14.40523 3.697998       20.40784 
1 1 1 -3  1  11 o 221.9327 5.472923 1445.246       71.23462 1445.817       100.8577 1444.677       100.6246 221.7690 7.766560 221.6825 7.751593 0.8648682E-01  10.97300 
1 1 1 -3  1  12 f 467.1681 7.567892 6408.212       207.3474 6236.366       451.2500 6454.206       233.4520 459.3837 16.77727 468.7620 8.491701 -9.378326      18.80387 
1 1 1 -3  1  13 o 500.1902 7.988616 7346.513       234.3459 7122.047       508.0616 7407.175       264.1208 490.8809 17.67662 502.1624 8.968256 -11.28146      19.82152 
1 1 1 -3  1  14 f 647.0074 9.958590 12297.03       377.8832 11766.29       804.1353 12447.45       428.0962 630.4391 21.78152 650.7996 11.21614 -20.36041      24.49973 
1 1 1 -3  1  15 o 974.9866 13.43735 27945.11       768.3568 28386.89       1107.862 27535.66       1066.556 981.3726 19.24870 966.6572 18.81311 14.71539       26.91552 
1 1 1 -3  1  16 o 153.0455 4.903153 687.7407       43.95273 706.8149       62.26327 668.7943       62.05434 155.0611 6.863664 150.8147 7.035198 4.246414       9.828728 
1 1 1 -3  1  17 o 442.6262 6.815818 5747.729       176.9317 5677.787       244.8562 5824.153       255.9507 439.8290 9.492416 445.4490 9.797333 -5.619995      13.64162 
1 1 1 -3  1  18 o 448.3861 6.918069 5898.354       181.9230 5801.097       252.1005 6004.033       262.7881 444.5735 9.668956 452.2723 9.907295 -7.698761      13.84353 
1 1 1 -3  1  19 o 425.2091 6.695030 5304.294       166.9574 5267.977       233.6379 5342.191       238.6692 423.6552 9.403299 426.6233 9.538968 -2.968079      13.39455 
1 1 1 -3  1  20 f 415.9541 6.888825 5076.197       168.0510 5028.396       235.0408 5126.190       240.3688 413.8855 9.683060 417.8853 9.807775 -3.999786      13.78238 
1 1 1 -3  1  21 o 314.3242 7.552210 2899.150       139.2202 2996.447       167.8577 2684.704       249.2023 319.3850 8.970292 301.8933 14.11405 17.49167       16.72342 
1 1 1 -3  1  22 f 489.0068 7.514121 7017.330       215.4982 6885.008       296.5775 7165.334       313.6604 484.2075 10.44374 493.9401 10.82767 -9.732635      15.04361 
1 1 1 -3  1  23 o 267.9726 5.826031 2106.780       91.56167 2062.594       129.0351 2151.592       129.9452 264.9487 8.314448 270.6174 8.197000 -5.668671      11.67565 
1 1 1 -3  1  24 o 591.9174 8.674732 10287.74       301.1395 10283.82       426.9406 10291.63       424.8185 591.4066 12.30923 591.6393 12.24323 -0.2327271     17.36127 
1 1 1 -3  1  25 o 401.2079 6.538353 4724.408       153.8468 4647.500       215.2157 4804.778       220.0078 397.7530 9.225926 404.4233 9.275799 -6.670349      13.08274 
1 1 1 -3  1  26 o 398.7772 6.583862 4668.142       153.9790 4630.362       215.0870 4707.860       220.5336 396.9554 9.238934 400.2493 9.394935 -3.293854      13.17660 
1 1 1 -3  1  27 o 264.1914 7.790301 2052.114       120.5727 2052.114       120.5727 0.000000       0.000000 264.1914 7.790301 ?        ?        0.000000       7.790301 
1 1 1 -3  1  28 o 184.0943 6.926363 996.8353       74.64845 1083.192       133.9264 957.9147       89.91031 191.3553 11.99402 180.3157 8.526236 11.03964       14.71574 
1 1 1 -3  1  29 o 180.3569 6.077691 956.3044       64.19497 949.4272       88.07073 964.1000       93.76762 179.4987 8.389246 180.8320 8.868571 -1.333374      12.20783 
1 1 1 -3  1  30 f 411.5563 6.697675 4976.486       161.6605 4993.190       228.3127 4959.690       228.9334 411.8503 9.452359 410.4566 9.510238 1.393646       13.40864 
1 1 1 -3  1  31 o 94.00836 9.298689 262.7325       50.59623 244.3543       72.01291 280.6496       71.10352 89.80083 14.14061 96.61856 12.86779 -6.817734      19.11902 
1 1 1 -3  1  32 o 148.0523 7.165959 645.9211       62.03665 640.4091       87.07582 651.6028       88.40543 147.0544 10.15889 148.3306 10.22500 -1.276184      14.41366 
1 1 1 -3  1  33 o 345.8585 6.446509 3515.024       130.7596 3437.638       181.6504 3598.247       188.3769 341.5598 9.076202 349.4301 9.200148 -7.870239      12.92363 
1 1 1 -3  1  34 o 201.3967 7.171171 1193.947       84.56668 1138.210       113.3942 1263.795       126.9395 196.2926 9.881786 206.7693 10.50231 -10.47668      14.42041 
1 1 1 -3  1  35 o 275.9625 6.754988 2238.419       109.3264 2257.953       154.3543 2218.755       154.8689 276.6815 9.526564 274.2468 9.643807 2.434723       13.55575 
1 1 1 -3  1  36 o 356.3482 6.875982 3733.688       143.7010 3685.581       202.5254 3782.464       203.9297 353.4268 9.780190 358.0588 9.720255 -4.632019      13.78896 
1 1 1 -3  1  37 o 176.2351 8.114078 916.5308       83.64022 969.4556       118.5509 864.0781       118.0211 180.7516 11.23896 170.4850 11.87813 10.26660       16.35250 
1 1 1 -3  1  38 o 185.2780 8.023713 1013.342       86.97990 971.7036       120.1854 1059.136       126.0396 180.8116 11.39168 188.7910 11.43713 -7.979401      16.14244 
1 1 1 -3  1  39 o 142.8112 10.11716 606.0731       84.18813 544.8822       118.6386 668.1411       119.4859 134.1886 15.35103 149.1637 13.81546 -14.97511      20.65239 
1 1 1 -3  1  40 f 202.6454 8.517873 1214.326       101.0064 1239.375       142.7166 1189.187       142.9730 203.9020 11.98734 199.6389 12.27048 4.263046       17.15404 
1 1 1 -3  1  41 o 31.56964 15.22917 -127.1301      84.46748 -96.24081      122.2126 -155.3807      116.8761 43.24773 20.07979 38.11461 18.26371 5.133114       27.14334 
1 1 1 -3  1  42 o 103.8014 16.57816 334.8524       97.52954 434.6367       180.1062 293.4522       116.0108 114.0938 27.28507 95.47234 21.26453 18.62148       34.59271 
1 1 1 -3  1  43 o 196.8299 8.407417 1151.400       96.82839 1127.327       136.3453 1175.894       137.5345 193.3942 12.08150 197.5996 11.92341 -4.205414      16.97441 
1 1 1 -3  1  44 o 94.69695 15.61132 281.2637       83.68283 313.7382       118.8374 249.3216       117.8594 97.70037 21.33877 86.42870 22.89170 11.27167       31.29493 
1 1 1 -3  1  45 o 155.9269 11.35769 735.8090       103.1510 750.3878       128.8925 709.8393       172.0281 156.1143 14.23419 148.2802 20.31536 7.834106       24.80577 
1 1 1 -3  1  46 o 96.50285 16.28604 296.8858       88.89623 233.9286       122.4284 367.0960       129.2884 82.43408 23.92370 104.5716 21.78913 -22.13754      32.35907 
1 1 1 -3  1  47 f 246.4246 8.169681 1813.895       117.9068 1832.838       164.4483 1793.856       169.1415 245.5594 11.45038 242.5674 11.92616 2.992035       16.53313 
1 1 1 -3  1  48 o 50.79204 20.28524 57.06745       91.22003 27.68534       124.7515 90.82839       133.7247 52.48374 22.54261 60.66808 24.44641 -8.184334      33.25351 
1 1 1 -3  1  49 o 84.42511 20.96317 246.1613       103.3185 327.6456       144.8528 161.7750       147.4096 94.55513 25.52903 69.93858 26.36635 24.61655       36.70035 
1 1 1 -3  1  50 o 57.71762 22.09381 96.45955       104.4775 168.6551       151.5738 31.11007       144.2082 70.55531 26.70549 54.96401 23.92116 15.59129       35.85255 
1 1 1 -3  1  51 o 63.49065 23.66632 131.2202       118.0621 160.0883       166.9912 102.3702       166.9389 69.64259 27.56529 63.67981 26.65306 5.962780       38.34359 
1 1 1 -3  1  52 o 135.0005 17.71452 603.7452       136.8733 527.3611       206.5718 663.5256       182.7465 113.4596 30.42267 135.7522 23.82208 -22.29256      38.63976 
1 1 1 -3  2  1  o 411.4013 7.645511 4966.299       184.4687 5078.407       264.3529 4859.896       257.5369 415.7414 10.85130 406.6961 10.80697 9.045288       15.31474 
1 1 1 -3  2  2  o 647.2089 10.94428 12299.45       415.4150 12150.09       582.2372 12454.32       592.8784 642.8450 15.44341 650.8335 15.53264 -7.988525      21.90347 
1 1 1 -3  2  3  o 530.8458 9.264772 8271.239       288.4388 8222.282       406.3705 8320.948       409.4754 529.0214 13.09780 532.1843 13.11944 -3.162964      18.53839 
1 1 1 -3  2  4  o 35.86828 9.001192 39.24140       18.90225 45.73638       26.76440 32.77796       26.69935 39.01318 11.14403 34.33325 11.37852 4.679924       15.92671 
1 1 1 -3  2  5  o 830.9946 15.81199 20305.86       770.6110 20198.01       939.8677 20527.07       1346.078 828.2145 19.34966 832.7069 27.60120 -4.492371      33.70810 
1 1 1 -3  2  6  o 810.9877 13.37476 19324.65       636.1373 19481.39       905.3714 19171.82       894.0042 813.4525 18.97772 806.9783 18.88979 6.474182       26.77645 
1 1 1 -3  2  7  o 213.0840 5.369867 1332.747       67.05308 1339.751       95.45216 1325.924       94.21470 213.5371 7.634161 212.4342 7.574244 1.102905       10.75405 
1 1 1 -3  2  8  o 302.1255 6.254719 2678.064       110.8270 2702.101       157.7203 2654.621       155.7642 303.2689 8.877217 300.5923 8.845285 2.676514       12.53172 
1 1 1 -3  2  9  o 472.9836 8.446987 6567.333       234.3141 6631.817       333.7191 6504.631       329.0702 474.8855 11.99193 470.3126 11.93996 4.572876       16.92244 
1 1 1 -3  2  10 o 318.8369 5.802053 2982.820       108.4928 2971.059       242.5539 2985.761       121.3040 317.5426 13.05216 318.9694 6.484486 -1.426849      14.57421 
1 1 1 -3  2  11 f 367.5629 6.349991 3965.191       136.8848 3844.671       300.2209 3996.822       153.8020 361.0258 14.20695 368.9852 7.107265 -7.959351      15.88555 
1 1 1 -3  2  12 o 240.0455 5.075468 1690.682       71.45296 1657.230       159.8915 1699.030       79.87214 237.0926 11.53352 240.6203 5.659949 -3.527710      12.84745 
1 1 1 -3  2  13 o 196.9729 5.534190 1139.336       63.86756 1389.905       136.6535 1069.307       72.24326 217.1861 10.76200 190.7671 6.466533 26.41898       12.55535 
1 1 1 -3  2  14 o 864.5057 12.85852 21977.78       651.9424 22826.59       1485.377 21775.24       725.5635 875.5638 28.96654 860.2085 14.38206 15.35535       32.34044 
1 1 1 -3  2  15 o 161.9534 5.733277 770.4351       54.36980 907.0846       108.4304 724.5377       62.84070 175.4284 10.58832 156.9900 6.841676 18.43840       12.60639 
1 1 1 -3  2  16 o 561.6791 8.094207 9257.882       266.6325 9571.511       389.2196 8980.556       366.0012 570.8943 11.62488 553.0135 11.28486 17.88074       16.20142 
1 1 1 -3  2  17 o 763.5202 10.70721 17114.18       479.4547 17286.93       682.8301 16946.17       673.3713 766.9235 15.18134 759.3340 15.12068 7.589478       21.42681 
1 1 1 -3  2  18 o 163.7597 5.520804 787.5157       52.94666 844.0318       72.09994 721.3649       78.00385 169.4557 7.271770 156.5555 8.527861 12.90015       11.20728 
1 1 1 -3  2  19 o 698.1985 9.847311 14309.27       403.2247 14237.40       565.0124 14383.88       575.6274 696.0999 13.83999 699.6523 14.02842 -3.552429      19.70639 
1 1 1 -3  2  20 o 723.8644 10.20053 15382.80       433.0425 15321.69       604.9423 15447.04       620.1708 722.0252 14.28601 724.9378 14.58680 -2.912598      20.41727 
1 1 1 -3  2  21 o 354.8082 6.582993 3693.462       136.9833 3519.166       181.1202 3926.407       209.3867 346.1449 8.929379 365.5814 9.774723 -19.43643      13.23930 
1 1 1 -3  2  22 o 396.1123 6.611448 4603.712       153.5909 4353.444       202.4677 4942.956       235.7267 385.1018 8.964576 410.3058 9.796041 -25.20401      13.27878 
1 1 1 -3  2  23 o 106.0735 8.834725 332.6072       54.46194 321.3581       71.78721 347.8616       83.59609 103.8868 12.00295 107.9365 13.50031 -4.049629      18.06459 
1 1 1 -3  2  24 o 649.4086 9.326022 12386.06       355.1935 12023.17       484.9533 12806.03       521.6957 639.3652 12.93303 659.7667 13.48268 -20.40155      18.68278 
1 1 1 -3  2  25 f 71.82281 12.65180 156.2309       51.34636 108.9014       70.51354 209.6543       74.91566 60.53686 18.30792 82.95126 15.97879 -22.41439      24.30024 
1 1 1 -3  2  26 o 46.61938 15.46623 60.76485       49.32516 34.70867       67.81736 90.02959       71.87167 44.94421 17.63481 56.51677 18.66633 -11.57257      25.67914 
1 1 1 -3  2  27 o 659.7921 9.387706 12798.60       363.2596 12456.13       497.7906 13188.73       531.2982 650.1175 13.05583 668.8349 13.54468 -18.71741      18.81258 
1 1 1 -3  2  28 o 172.7437 6.183336 877.3063       62.54239 794.6013       86.95808 965.9340       90.01785 164.1320 9.068961 181.0709 8.500482 -16.93883      12.42997 
1 1 1 -3  2  29 o 288.8178 5.827342 2449.303       98.70632 2464.686       140.3094 2434.231       138.8852 289.4118 8.274961 287.6207 8.242012 1.791107       11.67929 
1 1 1 -3  2  30 o 262.7818 5.708128 2027.818       87.97101 2059.889       122.7945 1994.003       126.0906 264.5599 7.923079 260.2480 8.271734 4.311859       11.45412 
1 1 1 -3  2  31 o 277.8527 5.854538 2267.590       95.40205 2258.433       132.4704 2277.457       137.5084 276.9569 8.164515 278.0832 8.441254 -1.126282      11.74368 
1 1 1 -3  2  32 o 193.2033 6.547937 1098.201       74.08692 1050.884       101.5801 1151.977       108.2911 188.6829 9.207438 197.5475 9.373708 -8.864563      13.13938 
1 1 1 -3  2  33 o 233.7933 6.351139 1607.262       87.00249 1541.412       119.7416 1680.903       126.6271 228.6363 8.947227 238.7562 9.059626 -10.11993      12.73302 
1 1 1 -3  2  34 o 319.1418 6.648955 2993.271       124.4479 2819.105       169.0600 3199.270       183.8621 309.2487 9.332107 329.4232 9.526731 -20.17447      13.33592 
1 1 1 -3  2  35 o 397.6145 7.084948 4648.051       165.2150 4594.861       228.3625 4706.468       239.3210 394.8541 9.861380 399.4173 10.22494 -4.563202      14.20550 
1 1 1 -3  2  36 o 124.8446 10.26210 462.8492       74.47472 492.4241       104.1130 431.8582       106.5765 128.1141 14.08889 119.5648 15.56809 8.549332       20.99672 
1 1 1 -3  2  37 o 379.5883 7.145710 4239.171       159.0775 4264.104       224.3890 4213.979       225.5547 379.9528 10.07871 377.6805 10.19234 2.272278       14.33403 
1 1 1 -3  2  38 o 260.0443 7.128654 1992.024       108.6164 1954.822       149.1096 2034.080       158.5372 257.0578 9.909195 262.1251 10.33294 -5.067230      14.31649 
1 1 1 -3  2  39 o 293.6387 7.158309 2539.196       123.2748 2485.299       170.1099 2598.804       178.8954 289.7456 10.02576 296.2147 10.31348 -6.469147      14.38345 
1 1 1 -3  2  40 o 266.8330 7.573422 2100.618       118.3975 2063.296       165.1797 2140.054       169.7945 263.6515 10.70483 268.4881 10.80528 -4.836609      15.21011 
1 1 1 -3  2  41 o 131.4681 17.22133 531.1596       129.5921 0.000000       0.000000 531.1596       129.5921 ?        ?        131.4681 17.22133 0.000000       17.22133 
1 1 1 -3  2  42 o 63.41750 19.29359 125.3600       78.15029 210.6302       112.3839 45.51792       108.7481 80.68917 22.76481 53.91806 21.92945 26.77111       31.60913 
1 1 1 -3  2  43 o 76.62576 17.79856 187.9024       78.45158 86.90678       112.3488 284.0111       109.5970 59.66820 22.89321 93.58012 20.53452 -33.91193      30.75330 
1 1 1 -3  2  44 o 180.3256 9.074364 970.8417       95.65907 1004.388       137.8534 939.6861       132.8500 181.7340 13.02022 175.7755 12.97856 5.958466       18.38393 
1 1 1 -3  2  45 o 123.2084 12.35533 463.5998       88.07463 473.9377       121.4529 452.1334       127.9105 122.2859 17.42742 118.5668 19.03897 3.719101       25.81080 
1 1 1 -3  2  46 o 114.6336 18.99353 427.0790       123.2257 427.0790       123.2257 0.000000       0.000000 114.6336 18.99353 ?        ?        0.000000       18.99353 
1 1 1 -3  2  47 o 51.59978 19.97388 65.64439       86.06496 120.2579       121.1587 10.01765       122.2775 63.75368 23.93173 50.63770 22.03290 13.11599       32.52963 
1 1 1 -3  2  48 o 99.81490 17.41203 324.6893       98.22350 401.3670       139.0200 248.2560       138.7983 107.7337 22.71908 82.98073 25.79772 24.75301       34.37556 
1 1 1 -3  2  49 o 71.61968 22.38380 178.3182       104.3452 109.3874       145.4413 251.4302       149.7874 63.43666 25.51842 82.36107 26.93436 -18.92441      37.10323 
1 1 1 -3  2  50 o 55.49453 21.82100 81.56403       104.0273 117.2285       152.9045 50.83101       141.9402 64.54924 26.09432 56.51707 24.15524 8.032169       35.55825 
1 1 1 -3  2  51 f 88.64233 22.32909 280.4897       116.0055 223.0225       176.2674 324.3980       154.0760 77.06815 28.87909 91.92023 26.88463 -14.85207      39.45612 
1 1 1 -3  2  52 f 57.73484 23.58953 84.85698       126.5326 174.6541       178.3099 -6.229156      179.5851 71.12630 28.37616 55.73682 25.30095 15.38949       38.01769 
1 1 1 -3  3  1  o 677.5001 16.09415 13498.44       639.4813 13559.61       907.2757 13438.05       901.4786 677.6692 22.86089 674.6302 22.81732 3.039001       32.29939 
1 1 1 -3  3  2  o 584.2255 10.04333 10019.98       344.1190 10004.74       486.2105 10035.28       487.1063 583.4547 14.20910 584.3442 14.21361 -0.8894653     20.09790 
1 1 1 -3  3  3  o 283.4568 6.114848 2357.080       101.6537 2328.691       142.9435 2386.128       144.5907 281.5527 8.667054 285.0074 8.660398 -3.454651      12.25236 
1 1 1 -3  3  4  o 577.3064 9.932551 9783.825       336.2929 9835.011       477.5207 9733.459       473.6825 578.4957 14.07478 575.5049 14.03420 2.990723       19.87607 
1 1 1 -3  3  5  o 845.9506 19.74001 21075.93       979.3610 21654.25       1415.164 20544.38       1356.735 855.0936 28.25787 832.9973 27.81058 22.09631       39.64764 
1 1 1 -3  3  6  o 1085.963 24.98442 34830.29       1591.238 35420.06       2281.288 34271.46       2220.637 1090.513 35.71782 1072.842 35.34146 17.67163       50.24720 
1 1 1 -3  3  7  o 452.5790 8.173421 6011.346       216.9446 6244.282       314.8977 5800.902       299.3076 460.9189 11.65851 444.2574 11.49735 16.66150       16.37406 
1 1 1 -3  3  8  o 158.6079 4.589939 738.5181       42.65060 806.4094       103.0188 724.4741       46.85472 165.3570 10.68003 157.0704 5.093107 8.286545       11.83227 
1 1 1 -3  3  9  o 494.3134 7.937107 7172.513       230.0992 6869.695       493.2067 7256.760       260.1457 482.5060 17.45791 497.1408 8.922503 -14.63480      19.60586 
1 1 1 -3  3  10 o 194.4762 4.805564 1109.559       54.81020 1025.953       121.7571 1130.808       61.38119 186.4864 11.18399 196.2466 5.338093 -9.760208      12.39261 
1 1 1 -3  3  11 o 260.6501 5.226396 1993.425       79.89336 2070.676       184.3737 1975.566       88.64838 265.0529 11.89112 259.4608 5.825705 5.592133       13.24151 
1 1 1 -3  3  12 f 229.2919 5.097602 1542.590       68.54962 1437.057       148.4559 1571.188       77.28171 220.7500 11.50663 231.3909 5.694820 -10.64082      12.83875 
1 1 1 -3  3  13 o 302.2232 5.689443 2680.136       100.8435 2731.039       227.2709 2667.657       112.5275 304.4191 12.75807 301.4943 6.363983 2.924774       14.25723 
1 1 1 -3  3  14 f 313.4683 6.520085 2883.418       119.8664 3032.672       245.6540 2836.777       137.3240 320.8800 13.08103 310.8869 7.531711 9.993164       15.09437 
1 1 1 -3  3  15 o 1024.549 15.10833 30871.82       907.8204 31510.51       2035.277 30713.19       1014.311 1028.545 33.78619 1021.531 16.93048 7.014709       37.79085 
1 1 1 -3  3  16 f 399.6282 6.773455 4685.392       158.7512 4958.055       367.5918 4622.878       176.0114 410.3961 15.29935 396.9293 7.560963 13.46677       17.06571 
1 1 1 -3  3  17 o 1018.328 13.89971 30466.81       830.1263 30965.91       1189.373 29992.75       1159.162 1025.633 19.77314 1009.426 19.58030 16.20697       27.82742 
1 1 1 -3  3  18 o 545.7803 7.983640 8740.439       255.5461 8887.899       365.1140 8598.835       357.7909 550.1880 11.31532 541.1697 11.27315 9.018372       15.97249 
1 1 1 -3  3  19 o 585.6653 8.481290 10065.80       291.3144 9958.331       403.5186 10182.79       420.9985 582.3231 11.81542 588.8212 12.19121 -6.498108      16.97733 
1 1 1 -3  3  20 o 1062.730 14.64753 33197.74       912.9310 32066.57       1232.633 34572.14       1358.715 1043.355 20.14426 1083.038 21.39116 -39.68311      29.38321 
1 1 1 -3  3  21 o 572.1884 8.425175 9608.889       282.7278 9270.063       379.2810 10032.61       424.1449 561.7997 11.51142 584.3766 12.37573 -22.57690      16.90182 
1 1 1 -3  3  22 o 297.1078 6.011976 2589.756       104.7567 2649.687       145.9928 2526.150       150.4022 300.3459 8.296126 293.2267 8.755621 7.119263       12.06178 
1 1 1 -3  3  23 o 458.6111 7.220840 6172.433       194.2150 5886.583       260.1455 6532.362       291.9146 447.7083 9.907649 471.5792 10.55482 -23.87088      14.47638 
1 1 1 -3  3  24 o 262.2108 5.879768 2017.425       90.41935 1966.029       121.7526 2080.631       135.0183 258.6537 8.035932 266.0474 8.664886 -7.393646      11.81763 
1 1 1 -3  3  25 o 191.6847 6.157786 1079.438       69.13512 1031.942       94.75278 1133.509       101.0992 187.2432 8.651888 196.2477 8.806438 -9.004440      12.34538 
1 1 1 -3  3  26 f 549.2838 11.77070 8878.526       379.1836 8878.526       379.1836 0.000000       0.000000 549.2838 11.77070 ?        ?        0.000000       11.77070 
1 1 1 -3  3  27 f 358.0031 6.201274 3762.667       130.2022 3787.171       183.5166 3737.831       184.7571 358.9649 8.717117 356.6078 8.834047 2.357025       12.41082 
1 1 1 -3  3  28 o 279.1501 5.751123 2287.698       94.15446 2256.284       130.6290 2321.665       135.8324 276.9570 8.050781 280.9224 8.253489 -3.965363      11.52975 
1 1 1 -3  3  29 o 282.8228 6.581878 2349.582       109.1729 2451.049       174.9003 2284.811       139.7388 288.3185 10.36034 278.6025 8.562433 9.715942       13.44068 
1 1 1 -3  3  30 o 231.3011 5.704088 1571.090       77.37745 1431.291       103.0651 1751.670       117.1370 220.4753 7.983969 243.9089 8.200381 -23.43356      11.44509 
1 1 1 -3  3  31 o 136.9442 7.374526 552.9590       59.00967 540.2530       82.40065 566.3349       84.54521 134.9750 10.49177 138.2111 10.50905 -3.236069      14.84983 
1 1 1 -3  3  32 o 151.6172 7.273069 677.4286       64.48345 558.1423       87.72320 817.6525       95.11088 137.1126 11.00129 166.2977 9.795373 -29.18513      14.73016 
1 1 1 -3  3  33 o 119.9163 9.172214 425.9055       64.01687 355.1627       86.01023 513.7691       95.85478 108.6870 13.80442 131.2506 12.60754 -22.56360      18.69524 
1 1 1 -3  3  34 o 358.6333 6.837440 3780.375       143.8118 3751.270       199.4660 3811.884       207.5351 356.7305 9.542637 359.5414 9.851484 -2.810913      13.71545 
1 1 1 -3  3  35 o 132.2113 9.904633 518.0294       76.24113 491.8434       107.5699 544.4617       108.0744 128.0042 14.58912 134.9022 13.85687 -6.898010      20.12102 
1 1 1 -3  3  36 o 359.8552 6.839444 3807.638       144.3441 3527.958       190.1012 4188.420       221.8157 345.8488 9.381001 376.6971 10.04934 -30.84824      13.74745 
1 1 1 -3  3  37 o 286.6719 6.971758 2417.537       117.2136 2406.324       163.0473 2429.530       168.6234 285.4090 9.755158 286.7206 10.04337 -1.311584      14.00116 
1 1 1 -3  3  38 o 211.5669 7.660089 1320.093       94.88869 1255.454       128.5758 1397.405       140.6169 205.7537 10.69187 217.0147 11.08509 -11.26100      15.40114 
1 1 1 -3  3  39 o 268.0550 7.303986 2117.989       114.7174 2142.615       157.5199 2090.176       167.4005 269.0030 10.00195 265.4808 10.77398 3.522186       14.70094 
1 1 1 -3  3  40 o 170.2426 11.05194 863.0986       109.7498 809.0974       176.9930 896.8328       139.8909 162.4149 18.93629 172.7888 13.92236 -10.37390      23.50351 
1 1 1 -3  3  41 o 37.23182 16.90055 -43.02760      80.12595 -10.25690      116.5639 -72.38359      110.3239 49.39321 21.50144 42.31556 19.44317 7.077656       28.98877 
1 1 1 -3  3  42 o 101.2679 14.54337 315.2410       83.89994 258.6800       119.7059 369.8539       117.6263 89.09391 22.81320 108.1643 19.24814 -19.07043      29.84850 
1 1 1 -3  3  43 o 36.18021 16.54121 -45.89548      78.51782 -18.94262      117.8133 -67.43366      105.3165 48.12597 21.26106 41.06631 18.91557 7.059658       28.45754 
1 1 1 -3  3  44 o 175.3898 9.247996 919.3081       94.79057 908.6270       140.5779 928.2136       128.3617 172.2861 14.03432 174.8501 12.60209 -2.563965      18.86199 
1 1 1 -3  3  45 o 39.03005 17.40471 -22.18437      80.81669 -2.322416      113.3214 -42.74169      115.2880 48.36933 21.12548 44.97776 20.35912 3.391563       29.33905 
1 1 1 -3  3  46 o 41.73339 18.29351 -6.835791      85.65759 62.19713       119.9022 -78.79010      122.4130 56.27276 22.97418 43.29301 20.09925 12.97975       30.52528 
1 1 1 -3  3  47 o 240.7110 11.31498 1760.487       159.2880 1760.487       159.2880 0.000000       0.000000 240.7110 11.31498 ?        ?        0.000000       11.31498 
1 1 1 -3  3  48 o 65.55841 21.75260 142.9489       97.57029 139.5792       141.4502 146.0074       134.7630 67.30124 25.72113 67.73166 25.27742 -0.4304199     36.06278 
1 1 1 -3  3  49 f 62.68388 22.10831 127.9486       101.1463 201.8179       153.7386 71.57226       134.3073 75.29674 27.17864 58.02694 24.06606 17.26980       36.30226 
1 1 1 -3  3  50 o 51.28271 21.15795 51.37759       103.0690 126.4250       150.9431 -14.18212      141.0795 65.38692 26.10077 50.57377 22.73995 14.81315       34.61727 
1 1 1 -3  3  51 o 106.5201 19.45849 385.1303       117.0822 407.2056       172.9484 366.4538       159.0782 102.1797 28.02386 97.79152 26.89908 4.388176       38.84452 
1 1 1 -3  3  52 o 76.71134 24.43399 218.2908       123.7891 368.0352       176.5205 73.38796       173.6433 95.33457 28.99501 61.14571 26.43170 34.18886       39.23449 
1 1 1 -3  4  1  o 477.2519 11.99965 6693.934       335.6001 6504.931       465.1636 6899.110       484.6568 469.9447 16.90506 483.9668 17.10218 -14.02213      24.04715 
1 1 1 -3  4  2  o 767.8155 25.73197 17433.59       1157.088 0.000000       0.000000 17433.59       1157.088 ?        ?        767.8155 25.73197 0.000000       25.73197 
1 1 1 -3  4  3  o 744.7484 17.63046 16320.57       770.0583 17449.06       1145.979 15391.51       1039.801 768.2194 25.47076 721.6556 24.60397 46.56384       35.41349 
1 1 1 -3  4  4  o 507.9926 8.959259 7573.948       266.9193 7631.711       379.4856 7517.389       375.5076 509.6973 12.69499 505.7093 12.67096 3.988037       17.93644 
1 1 1 -3  4  5  o 544.8448 9.477640 8713.818       302.8472 8714.128       428.4728 8713.509       428.1087 544.5765 13.41572 544.5580 13.40477 0.1843262E-01  18.96495 
1 1 1 -3  4  6  o 989.1165 22.87333 28871.29       1326.867 28282.91       1846.289 29499.78       1908.188 975.4086 32.31935 996.0290 32.71057 -20.62042      45.98392 
1 1 1 -3  4  7  o 641.8364 9.968130 12096.01       375.2223 11941.67       811.2565 12138.01       423.2106 635.7820 21.78922 642.8362 11.22550 -7.054260      24.51085 
1 1 1 -3  4  8  o 396.3834 6.781372 4610.547       157.6462 4544.867       345.4454 4627.824       177.1710 392.7341 15.02561 397.0898 7.607700 -4.355713      16.84179 
1 1 1 -3  4  9  o 720.1299 11.03949 15239.72       466.2408 14895.19       998.1404 15335.87       527.3028 708.7006 24.04961 722.1872 12.44973 -13.48657      27.08097 
1 1 1 -3  4  10 o 396.4992 6.765070 4614.527       157.3132 4552.125       345.0302 4630.904       176.7543 392.7798 15.00572 397.1523 7.588614 -4.372589      16.81544 
1 1 1 -3  4  11 o 286.4112 5.554418 2407.177       93.29945 2214.962       199.9898 2460.649       105.4815 274.0656 12.47508 289.5491 6.211600 -15.48355      13.93598 
1 1 1 -3  4  12 o 152.0708 4.834642 679.1611       43.06342 693.8553       99.40742 675.7665       47.77938 153.2146 11.13896 151.6623 5.380230 1.552292       12.37026 
1 1 1 -3  4  13 o 610.5215 9.389566 10948.32       336.1995 10696.15       735.1287 11015.01       378.0517 601.1213 20.88387 612.2468 10.52869 -11.12555      23.38780 
1 1 1 -3  4  14 o 633.5551 9.722503 11787.22       361.2542 11827.19       802.3500 11777.05       404.5831 632.4741 21.66268 633.1660 10.89531 -0.6918945     24.24829 
1 1 1 -3  4  15 o 350.5017 6.983332 3604.609       143.5500 4136.207       311.2751 3461.011       161.7806 374.8456 14.18488 343.4164 8.032578 31.42917       16.30132 
1 1 1 -3  4  16 o 727.2822 11.03198 15530.20       470.5511 15785.95       1049.289 15465.82       526.4559 731.0222 24.50918 725.6548 12.37033 5.367432       27.45405 
1 1 1 -3  4  17 o 516.3326 8.214397 7822.922       248.7458 7747.404       549.7577 7842.362       278.9310 512.8339 18.30802 516.9299 9.200567 -4.096069      20.48985 
1 1 1 -3  4  18 o 398.6572 7.834874 4663.253       183.1817 4856.241       366.2555 4598.873       211.5408 406.1725 15.40319 395.8525 9.111929 10.32007       17.89652 
1 1 1 -3  4  19 o 537.3094 7.953690 8471.542       250.6361 8360.368       346.1160 8594.111       363.4229 533.6041 11.05992 540.9864 11.45448 -7.382324      15.92253 
1 1 1 -3  4  20 o 120.5786 8.828060 429.0020       61.99628 379.8947       80.06094 502.5524       97.98054 113.0639 12.27036 130.1423 13.01147 -17.07844      17.88464 
1 1 1 -3  4  21 o 1063.637 14.47261 33260.83       902.7986 32152.60       1223.434 34585.75       1337.705 1044.546 19.97112 1083.050 21.06014 -38.50415      29.02370 
1 1 1 -3  4  22 o 381.3884 6.543376 4267.854       146.3592 4343.792       205.0565 4188.994       208.9651 384.6620 9.089579 377.7294 9.432840 6.932617       13.09958 
1 1 1 -3  4  23 o 536.4896 7.937743 8448.428       249.7519 8225.045       341.1921 8706.288       366.5778 529.1075 10.99524 544.3193 11.48317 -15.21179      15.89838 
1 1 1 -3  4  24 o 306.6534 5.918235 2759.331       106.4365 2608.058       142.3481 2951.146       160.2924 297.9295 8.154483 316.8976 8.632730 -18.96808      11.87517 
1 1 1 -3  4  25 o 581.1797 8.432399 9920.338       287.4168 9590.038       392.0580 10304.09       422.5950 571.0054 11.70738 591.8086 12.17566 -20.80322      16.89111 
1 1 1 -3  4  26 o 86.17039 10.23017 221.3794       50.69237 217.1792       69.03345 226.2946       74.67853 84.67072 14.41815 86.31967 15.31216 -1.648956      21.03201 
1 1 1 -3  4  27 o 257.3202 5.798161 1943.649       87.50134 1907.887       118.8220 1986.021       129.3367 254.7014 7.964329 259.8175 8.499385 -5.116089      11.64775 
1 1 1 -3  4  28 o 232.9627 5.783340 1593.352       79.01611 1534.138       107.3994 1663.225       116.6662 228.3262 8.032906 237.7136 8.381482 -9.387329      11.60934 
1 1 1 -3  4  29 o 140.9096 7.107673 584.8940       58.54824 516.2676       78.16116 672.6301       88.37602 132.0264 10.17277 150.8174 10.04886 -18.79102      14.29913 
1 1 1 -3  4  30 o 432.4845 7.018816 5496.979       178.0266 5479.392       249.5650 5515.201       254.0296 431.3265 9.865678 432.7057 10.01017 -1.379242      14.05471 
1 1 1 -3  4  31 o 160.3549 6.827261 757.0914       64.05959 718.6423       86.57062 803.6228       95.23595 155.9188 9.512466 164.8604 9.895494 -8.941650      13.72617 
1 1 1 -3  4  32 o 498.0709 7.714507 7296.396       225.3460 7138.381       309.1568 7475.519       329.1574 491.9625 10.71510 503.3253 11.15076 -11.36282      15.46457 
1 1 1 -3  4  33 o 351.6673 6.599316 3634.440       136.1073 3447.957       180.8258 3878.191       206.7352 342.0836 9.021044 362.6741 9.728360 -20.59048      13.26726 
1 1 1 -3  4  34 o 126.7894 10.01109 476.6589       73.83781 471.9450       101.9538 481.8586       107.0795 125.4770 14.09804 126.6892 14.68331 -1.212242      20.35570 
1 1 1 -3  4  35 o 180.5184 7.848369 960.4583       82.89198 821.3572       113.3229 1120.528       121.5645 166.3640 11.68909 194.6073 10.69224 -28.24329      15.84168 
1 1 1 -3  4  36 o 156.4365 8.546608 722.8312       78.11414 592.0284       106.6903 873.9641       114.6823 140.7960 13.06986 171.6020 11.46094 -30.80597      17.38316 
1 1 1 -3  4  37 o 538.5749 8.409056 8545.960       265.6096 8241.125       360.7952 8906.645       392.4564 527.7391 11.65711 548.3983 12.20239 -20.65912      16.87562 
1 1 1 -3  4  38 o 194.3406 8.121870 1115.030       92.36593 1264.034       127.3673 949.7415       134.1465 206.4764 10.55310 178.3806 12.91010 28.09584       16.67449 
1 1 1 -3  4  39 o 89.41457 15.80945 246.0432       79.87202 292.5321       114.4960 201.9737       111.4767 96.39568 20.85937 80.12764 22.69556 16.26804       30.82535 
1 1 1 -3  4  40 o 54.41494 20.90790 64.02119       93.80096 76.17493       121.0636 45.76577       148.3728 60.58331 23.62281 61.31562 25.34996 -0.7323112     34.65051 
1 1 1 -3  4  41 o 151.7635 10.46105 686.8350       92.53975 774.2209       131.6648 601.5253       130.0913 160.1039 14.16834 140.3540 16.09506 19.74985       21.44278 
1 1 1 -3  4  42 o 38.58053 17.28683 -30.08484      80.74718 28.42250       118.7237 -80.44308      110.1457 53.57845 22.45457 41.36974 19.15752 12.20871       29.51640 
1 1 1 -3  4  43 o 199.1200 8.611761 1179.548       100.3297 1113.627       141.7626 1245.702       142.0129 191.8702 12.66895 203.3028 11.96349 -11.43256      17.42491 
1 1 1 -3  4  44 o 156.4174 9.765191 733.4374       89.13422 684.5439       127.8913 779.6200       124.2952 148.9902 14.83320 159.7890 13.38639 -10.79886      19.98047 
1 1 1 -3  4  45 o 103.2746 16.96869 339.1333       99.20979 -47.50385      184.9581 495.3085       117.5514 56.75239 25.72811 125.5202 16.35722 -68.76781      30.48761 
1 1 1 -3  4  46 o 56.89335 20.36688 95.60946       86.12997 185.8611       124.6732 13.20736       119.1283 74.24359 24.58731 50.63042 21.88957 23.61317       32.91943 
1 1 1 -3  4  47 o 193.5697 9.235970 1126.316       104.5480 1114.005       150.0850 1137.921       145.7181 189.8513 13.56894 192.2896 12.99770 -2.438339      18.78980 
1 1 1 -3  4  48 o 50.76171 21.07232 43.37637       103.1042 -47.57539      144.0294 138.9729       147.6612 49.04446 22.41523 67.59103 26.16304 -18.54657      34.45210 
1 1 1 -3  4  49 o 51.36501 21.24409 49.14313       104.2560 -36.31438      151.7345 125.5673       143.4910 50.75294 23.12348 65.09446 25.61814 -14.34151      34.51064 
1 1 1 -3  4  50 o 50.99746 21.25930 46.37001       105.5767 134.8853       149.2543 -42.27288      149.3618 66.18826 26.10329 49.69010 22.75403 16.49816       34.62842 
1 1 1 -3  4  51 o 47.30257 21.00970 -2.822251      116.5675 -63.83217      169.7425 51.62941       160.3600 51.00523 23.67570 58.32142 25.30514 -7.316189      34.65385 
1 1 1 -3  5  1  o 670.6226 22.67691 13278.01       890.6098 0.000000       0.000000 13278.01       890.6098 ?        ?        670.6226 22.67691 0.000000       22.67691 
1 1 1 -3  5  2  o 585.5639 14.17448 10077.12       486.7792 10219.27       695.3994 9940.538       681.6268 588.6682 20.17230 580.5955 20.04816 8.072754       28.44030 
1 1 1 -3  5  3  o 661.9534 15.83689 12884.96       614.8198 0.000000       0.000000 12884.96       614.8198 ?        ?        661.9534 15.83689 0.000000       15.83689 
1 1 1 -3  5  4  o 435.8943 7.270426 5575.024       185.8624 5485.011       411.2231 5598.132       208.3587 431.5314 16.27773 436.7633 8.134203 -5.231934      18.19697 
1 1 1 -3  5  5  o 758.1510 11.57810 16882.61       514.8058 16446.22       1100.600 17004.82       582.4513 745.6070 25.20541 760.7223 13.05518 -15.11530      28.38574 
1 1 1 -3  5  6  o 505.1102 8.113858 7488.018       240.3610 7806.250       549.2249 7412.629       267.3197 514.5173 18.23000 502.5070 9.070650 12.01031       20.36196 
1 1 1 -3  5  7  o 514.9086 8.339627 7782.530       251.8415 7745.813       548.5037 7792.338       283.4896 512.3853 18.28222 515.1637 9.382993 -2.778381      20.54946 
1 1 1 -3  5  8  o 117.8494 5.216660 408.2460       35.96607 433.5053       96.28699 404.1502       38.77249 120.6074 13.86455 117.2306 5.656079 3.376770       14.97388 
1 1 1 -3  5  9  o 77.79935 6.541426 178.8919       29.57070 132.5763       79.44347 186.3410       31.86006 66.34677 19.27640 79.37861 6.912600 -13.03184      20.47837 
1 1 1 -3  5  10 o 270.7474 4.941657 2150.719       78.46707 2110.572       109.5213 2193.062       112.4761 268.0465 6.972793 273.2344 7.024812 -5.187897      9.897870 
1 1 1 -3  5  11 o 348.1855 5.706623 3557.633       116.5307 3516.479       163.2150 3600.426       166.4307 346.0404 8.042346 350.1425 8.104719 -4.102112      11.41778 
1 1 1 -3  5  12 o 388.1111 6.658426 4421.104       151.5577 4500.369       197.8467 4308.533       235.7783 391.4536 8.617831 382.7328 10.51403 8.720764       13.59455 
1 1 1 -3  5  13 o 323.2433 6.716675 3066.329       127.3311 2972.259       173.9111 3175.024       186.9408 317.9944 9.335287 328.6401 9.709782 -10.64569      13.46950 
1 1 1 -3  5  14 o 292.0146 5.681597 2501.635       97.30285 2567.150       126.7941 2407.779       151.7609 295.7703 7.309608 286.2434 9.051489 9.526947       11.63442 
1 1 1 -3  5  15 o 719.1505 10.01619 15182.96       422.4478 15160.24       597.4346 15205.68       597.4280 718.2000 14.18386 719.2780 14.16245 -1.078003      20.04387 
1 1 1 -3  5  16 o 984.0408 13.31961 28446.20       768.6971 28811.86       1110.262 28109.54       1065.333 989.4044 19.13380 977.3728 18.58551 12.03156       26.67440 
1 1 1 -3  5  17 f 781.9523 10.88158 17950.99       499.0253 18190.87       718.6289 17727.60       693.4985 786.6778 15.57605 776.6373 15.22568 10.04047       21.78152 
1 1 1 -3  5  18 o 271.5158 5.423924 2162.429       86.36927 2149.259       120.6105 2176.291       123.7387 270.5414 7.609087 272.2314 7.758184 -1.690033      10.86681 
1 1 1 -3  5  19 o 448.5671 8.771294 5905.249       230.7499 5975.001       446.0122 5879.755       269.6412 450.3831 16.91557 447.5284 10.27343 2.854706       19.79090 
1 1 1 -3  5  20 o 830.6154 11.69478 20263.28       569.6951 19712.02       777.1583 20903.58       837.5704 818.6448 16.18689 842.9024 16.94312 -24.25763      23.43256 
1 1 1 -3  5  21 o 698.5482 9.966496 14327.19       408.3094 13704.20       545.7882 15119.01       615.3176 682.8178 13.62915 717.0704 14.63144 -34.25262      19.99582 
1 1 1 -3  5  22 o 267.3134 5.878132 2096.392       92.15324 2038.324       122.9867 2170.730       139.1544 263.4116 7.970264 271.7919 8.741284 -8.380249      11.82942 
1 1 1 -3  5  23 o 717.1917 10.11423 15108.61       425.4207 14625.77       581.4514 15664.86       624.0795 705.0837 14.06119 729.6103 14.58473 -24.52655      20.25911 
1 1 1 -3  5  24 o 492.2600 7.506853 7113.597       216.7220 7018.770       301.5602 7214.892       311.6723 488.7080 10.52141 495.4678 10.72587 -6.759796      15.02479 
1 1 1 -3  5  25 f 460.2289 8.568541 6221.568       231.2763 6045.522       262.9871 6822.358       485.8286 453.5443 9.886991 480.3973 17.27187 -26.85294      19.90151 
1 1 1 -3  5  26 o 457.8568 7.143555 6155.738       191.8203 6058.236       265.6827 6261.904       277.2357 453.9181 9.980110 461.4517 10.24407 -7.533600      14.30187 
1 1 1 -3  5  27 o 209.1839 5.873691 1285.568       71.98792 1339.968       99.09353 1224.775       104.7548 213.4049 7.931343 203.9326 8.779205 9.472290       11.83134 
1 1 1 -3  5  28 o 295.5274 5.897432 2564.302       102.2142 2539.571       139.1507 2593.284       150.6370 293.8244 8.082761 296.8490 8.661839 -3.024628      11.84730 
1 1 1 -3  5  29 o 427.0487 6.909577 5358.254       173.0531 5306.354       239.9116 5414.547       249.8595 424.5846 9.634664 428.8399 9.934593 -4.255310      13.83918 
1 1 1 -3  5  30 o 342.0968 6.968600 3439.436       139.8122 3592.708       223.8593 3341.415       179.0211 348.8960 10.95386 336.8056 9.071306 12.09033       14.22236 
1 1 1 -3  5  31 o 198.2143 6.338895 1155.547       73.59363 1114.895       100.5266 1202.497       108.0325 194.4160 8.839670 201.8839 9.148125 -7.467850      12.72116 
1 1 1 -3  5  32 o 321.4989 6.217963 3036.904       117.2406 2852.066       155.6781 3279.095       178.2016 311.1760 8.538499 333.5744 9.117503 -22.39835      12.49139 
1 1 1 -3  5  33 o 301.3478 6.345274 2668.304       112.1422 2590.632       151.1759 2763.339       167.2211 296.5395 8.702008 306.1689 9.323651 -9.629425      12.75364 
1 1 1 -3  5  34 o 142.2078 10.96257 600.0564       90.72423 673.9246       156.7466 562.8439       111.2535 149.2995 18.28256 137.1754 14.02611 12.12411       23.04308 
1 1 1 -3  5  35 o 257.0279 6.895198 1943.526       103.8449 1926.128       144.3297 1962.199       149.5257 255.4773 9.650156 257.8179 9.907434 -2.340530      13.83050 
1 1 1 -3  5  36 o 270.9142 6.684005 2157.967       106.1987 1974.361       139.9862 2406.913       163.0028 258.6559 9.242962 285.5218 9.748612 -26.86591      13.43383 
1 1 1 -3  5  37 o 379.2260 10.46926 4252.036       232.6208 0.000000       0.000000 4252.036       232.6208 ?        ?        379.2260 10.46926 0.000000       10.46926 
1 1 1 -3  5  38 o 122.2285 11.94198 447.0248       84.51423 465.5421       116.3629 426.3513       122.9514 123.6888 16.44843 117.7416 18.40781 5.947227       24.68600 
1 1 1 -3  5  39 f 154.1444 9.955353 705.5115       89.51715 710.4480       124.0317 700.1445       129.3270 153.7888 13.90169 152.4632 14.64335 1.325623       20.19121 
1 1 1 -3  5  40 o 112.9174 13.73637 386.0349       89.09763 299.8422       126.7608 470.1973       125.2588 96.89557 22.70548 123.5890 17.79346 -26.69342      28.84694 
1 1 1 -3  5  41 o 31.16322 15.08051 -132.8951      84.45162 -53.46423      118.7417 -214.2018      120.1357 45.77697 20.69708 35.67311 17.42541 10.10386       27.05576 
1 1 1 -3  5  42 o 133.7834 11.57242 538.8150       89.90622 679.3347       127.0362 397.8058       127.2573 149.2182 14.70725 111.7781 20.15349 37.44011       24.94928 
1 1 1 -3  5  43 o 89.76141 16.54401 254.2806       83.88451 151.8835       122.9298 343.5089       114.7531 70.30243 24.40296 103.3865 19.64361 -33.08403      31.32692 
1 1 1 -3  5  44 o 155.7592 9.794087 727.5515       89.01520 710.7927       130.5238 742.1237       121.7108 151.7978 14.85113 155.8141 13.45056 -4.016342      20.03681 
1 1 1 -3  5  45 o 48.60655 19.16968 49.95269       80.49539 233.2566       123.0713 -87.08614      106.4125 82.77389 23.97585 39.40473 18.44149 43.36916       30.24781 
1 1 1 -3  5  46 o 171.0248 10.07030 882.2856       100.5601 899.6758       145.8985 866.5477       138.7944 170.0336 14.77732 167.1618 14.29448 2.871750       20.55970 
1 1 1 -3  5  47 o 72.08806 21.02925 175.7415       94.37804 125.0858       132.1337 228.5005       134.8491 65.17551 24.87165 80.46647 25.48709 -15.29096      35.61166 
1 1 1 -3  5  48 o 87.61286 20.58733 261.7613       103.9800 331.6402       148.0302 193.7031       146.0888 95.41418 25.82742 74.60329 26.54505 20.81088       37.03640 
1 1 1 -3  5  49 o 105.1037 18.42189 366.4975       109.4168 513.4018       160.2528 238.2055       149.7573 120.7857 23.46831 80.27094 26.95592 40.51471       35.74050 
1 1 1 -3  5  50 o 141.1321 14.11641 628.9025       115.2761 698.3745       166.3692 564.7484       159.8748 143.6555 20.31303 127.3935 22.20523 16.26199       30.09471 
1 1 1 -3  5  51 o 167.5548 13.73165 883.7844       133.7540 1131.452       190.7414 644.1794       187.6109 185.6228 17.73660 133.0327 24.96301 52.59015       30.62252 
1 1 1 -3  6  1  o 580.1329 11.80746 9884.805       401.7303 0.000000       0.000000 9884.805       401.7303 ?        ?        580.1329 11.80746 0.000000       11.80746 
1 1 1 -3  6  2  o 217.3571 6.002819 1387.015       76.44756 0.000000       0.000000 1387.015       76.44756 ?        ?        217.3571 6.002819 0.000000       6.002819 
1 1 1 -3  6  3  o 311.9329 6.591789 2854.758       120.5910 0.000000       0.000000 2854.758       120.5910 ?        ?        311.9329 6.591789 0.000000       6.591789 
1 1 1 -3  6  4  o 579.8308 10.44339 9872.272       355.1348 0.000000       0.000000 9872.272       355.1348 ?        ?        579.8308 10.44339 0.000000       10.44339 
1 1 1 -3  6  5  o 719.0062 12.42129 15190.82       523.7813 14500.54       982.5463 15464.86       619.0819 700.1202 23.96462 725.1839 14.55625 -25.06366      28.03903 
1 1 1 -3  6  6  o 444.9356 6.784911 5809.085       177.0483 5828.298       251.2509 5790.135       249.5263 445.5193 9.615914 444.0605 9.581283 1.458893       13.57449 
1 1 1 -3  6  7  o 264.9507 4.971612 2059.340       77.25257 2122.204       111.7268 2001.754       106.9340 268.8143 7.093071 261.0747 6.990229 7.739594       9.958662 
1 1 1 -3  6  8  f 596.8279 8.619620 10460.08       301.7086 10463.89       425.5793 10456.22       427.7901 596.5177 12.16485 596.2894 12.23272 0.2283325      17.25175 
1 1 1 -3  6  9  o 342.5868 5.640882 3443.986       113.3361 3464.652       161.4731 3423.918       159.1158 343.4925 8.015532 341.4715 7.945263 2.021057       11.28610 
1 1 1 -3  6  10 o 195.1053 4.510816 1116.765       51.61485 1156.509       74.14986 1079.405       71.89137 198.3980 6.380986 191.6619 6.404732 6.736099       9.040883 
1 1 1 -3  6  11 o 318.4406 5.363603 2975.435       100.1695 2816.182       135.5335 3167.139       148.7027 309.7105 7.461740 328.4282 7.720189 -18.71774      10.73680 
1 1 1 -3  6  12 o 595.0818 8.526937 10398.57       297.5914 10452.71       423.5511 10345.79       418.2151 596.2104 12.11311 593.1653 12.02191 3.045044       17.06616 
1 1 1 -3  6  13 o 232.6004 6.004277 1588.446       81.83866 1665.193       115.7843 1511.823       115.6905 238.0275 8.306884 226.7597 8.715461 11.26775       12.04008 
1 1 1 -3  6  14 o 641.1504 11.27662 12073.46       424.0230 12174.44       605.1016 11976.03       594.3608 643.3031 16.03844 638.0591 15.88323 5.243958       22.57230 
1 1 1 -3  6  15 o 368.6048 7.447351 3986.563       160.9954 4211.302       239.7860 3802.095       217.2431 378.5749 10.81102 359.7314 10.30778 18.84351       14.93748 
1 1 1 -3  6  16 o 657.3560 9.144791 12681.83       352.5534 12487.75       494.4828 12882.49       502.7928 652.0366 12.93090 662.2608 12.94522 -10.22418      18.29718 
1 1 1 -3  6  17 o 285.0041 5.452711 2382.604       91.14108 2278.208       125.0673 2500.827       133.0926 278.5448 7.663217 291.8408 7.782965 -13.29602      10.92243 
1 1 1 -3  6  18 o 200.7152 5.858549 1182.787       68.88996 1103.203       96.62302 1265.070       98.24751 193.7015 8.526336 207.4766 8.089747 -13.77510      11.75340 
1 1 1 -3  6  19 o 944.7392 13.17177 26222.82       729.8047 26122.41       1032.974 26322.90       1031.227 942.0108 18.69748 945.6389 18.59424 -3.628113      26.36933 
1 1 1 -3  6  20 o 478.9109 7.617342 6730.247       213.9482 6838.697       303.6728 6623.360       301.4762 482.5895 10.72945 474.9250 10.82374 7.664459       15.24056 
1 1 1 -3  6  21 o 208.2282 5.914708 1273.059       72.15777 1233.214       79.95606 1447.953       167.5137 204.9055 6.662313 221.5929 12.94612 -16.68744      14.55982 
1 1 1 -3  6  22 o 616.4318 8.257656 11153.85       298.5330 11178.07       351.5072 11091.17       565.4890 616.9822 9.714290 613.6935 15.72462 3.288757       18.48326 
1 1 1 -3  6  23 o 490.7260 7.017439 7067.580       201.9613 7010.579       234.7106 7230.159       396.3901 488.6674 8.189715 495.5616 13.65176 -6.894257      15.91986 
1 1 1 -3  6  24 o 482.2479 8.228703 6829.100       232.7299 6730.757       291.9907 7000.396       385.3660 478.5646 10.40346 487.5042 13.49156 -8.939606      17.03685 
1 1 1 -3  6  25 o 177.4692 6.094374 925.4711       63.33704 868.5115       85.88052 993.3979       93.78468 171.7365 8.553630 183.6828 8.730878 -11.94624      12.22264 
1 1 1 -3  6  26 f 345.2332 6.172282 3498.753       124.9709 3419.248       169.7439 3592.855       184.6689 341.1248 8.484580 349.5163 9.016514 -8.391541      12.38086 
1 1 1 -3  6  27 o 452.2278 7.129057 6007.092       189.0775 5914.400       258.9373 6112.969       276.7419 448.3840 9.846773 455.7720 10.35325 -7.388031      14.28806 
1 1 1 -3  6  28 o 187.0655 6.130819 1028.692       67.17007 1026.821       90.15055 1031.028       100.7098 186.7073 8.253366 186.9875 9.211864 -0.2801971     12.36837 
1 1 1 -3  6  29 o 121.4286 8.087952 435.4680       57.27000 511.0180       78.86301 351.1708       83.30332 131.3176 10.32294 108.2187 13.41217 23.09894       16.92481 
1 1 1 -3  6  30 o 158.4512 6.788813 739.1636       62.94079 759.4988       86.23386 715.9796       92.07657 160.3563 9.208125 155.5559 10.14822 4.800385       13.70313 
1 1 1 -3  6  31 o 314.3106 6.207344 2902.501       114.4235 2995.240       161.9144 2809.979       161.7244 318.8861 8.665667 308.8150 8.938899 10.07117       12.44981 
1 1 1 -3  6  32 o 352.1144 6.433724 3643.348       132.8608 3519.040       178.3203 3798.463       199.1950 345.6284 8.804296 358.9698 9.469992 -13.34140      12.93044 
1 1 1 -3  6  33 o 312.0656 6.521497 2861.789       119.3558 2744.817       160.9985 3004.521       177.8454 305.1961 9.004665 319.2310 9.509799 -14.03497      13.09657 
1 1 1 -3  6  34 o 403.3843 7.250935 4784.237       171.5393 4700.213       235.3358 4879.488       250.5661 399.2122 10.05958 406.6519 10.51510 -7.439697      14.55206 
1 1 1 -3  6  35 o 52.73227 18.41879 74.32451       70.08929 20.93102       97.28561 131.9469       101.0648 49.42749 20.48940 67.40569 22.12894 -17.97819      30.15801 
1 1 1 -3  6  36 o 189.0326 9.662883 1056.524       106.7703 994.4792       183.3335 1088.369       131.3426 181.6927 17.41803 191.4953 11.75151 -9.802628      21.01156 
1 1 1 -3  6  37 o 219.5255 7.588719 1420.594       97.55519 1239.902       129.3039 1659.351       148.6350 204.5035 10.81953 236.6788 10.73602 -32.17532      15.24219 
1 1 1 -3  6  38 o 157.1251 9.479626 731.7147       86.94859 727.5545       120.0720 736.3014       126.0753 155.8910 13.25888 156.6836 13.86295 -0.7926025     19.18279 
1 1 1 -3  6  39 o 145.2457 10.29222 627.3666       87.10456 628.5149       117.4041 625.9606       129.9123 144.5257 14.02742 143.7839 15.65867 0.7417908      21.02290 
1 1 1 -3  6  40 o 305.3086 7.562578 2749.056       135.4127 2687.497       183.5417 2822.588       200.5979 300.9281 10.41542 308.1531 11.11787 -7.225006      15.23443 
1 1 1 -3  6  41 o 182.3417 9.151981 987.2190       97.55757 1011.304       136.2908 961.9111       139.7071 183.5033 12.74320 178.7123 13.42769 4.791046       18.51194 
1 1 1 -3  6  42 o 167.7200 9.499639 838.6382       93.06001 815.1465       130.5706 862.8907       132.6680 163.9026 13.70887 168.7402 13.51894 -4.837570      19.25343 
1 1 1 -3  6  43 o 203.2200 8.307957 1227.887       98.80854 1097.447       138.6104 1362.653       140.8902 190.4565 12.47809 212.8664 11.32633 -22.40997      16.85196 
1 1 1 -3  6  44 f 34.90881 16.25767 -65.36595      81.07448 -51.60826      118.9513 -77.30183      110.7959 45.12506 20.52604 41.29659 19.15495 3.828480       28.07544 
1 1 1 -3  6  45 o 49.78729 19.56422 54.23627       83.57571 8.190456       124.0677 92.48906       113.0824 51.29161 22.25657 59.67973 22.94982 -8.388123      31.96950 
1 1 1 -3  6  46 o 89.54858 17.69601 260.8031       89.63964 315.6988       127.0975 206.4703       126.4443 95.93210 22.90719 77.46001 24.69714 18.47209       33.68513 
1 1 1 -3  6  47 o 185.4423 10.03368 1039.145       108.7173 1090.263       153.8897 988.2128       153.6098 187.3038 14.11298 177.7287 14.87332 9.575150       20.50346 
1 1 1 -3  6  48 o 55.69889 21.40919 84.44617       98.37811 17.50802       144.3086 142.5659       134.4675 54.26373 23.76634 67.05130 25.20293 -12.78757      34.64140 
1 1 1 -3  6  49 o 78.65179 22.53980 218.6283       109.3173 372.6056       161.6270 88.79916       148.4129 99.55212 27.00446 61.30661 25.35048 38.24551       37.03900 
1 1 1 -3  6  50 o 39.89374 18.70564 -79.46115      110.3580 58.38521       166.6753 -187.0654      147.2612 59.83855 25.88133 40.80089 19.78459 19.03766       32.57719 
1 1 1 -3  6  51 o 140.9508 16.33047 644.4791       132.4998 793.5891       189.1851 500.9180       185.6316 151.0727 21.99820 113.7782 28.00978 37.29446       35.61557 
1 1 1 -3  7  1  o 416.2929 9.174276 5087.242       223.9862 0.000000       0.000000 5087.242       223.9862 ?        ?        416.2929 9.174276 0.000000       9.174276 
1 1 1 -3  7  2  f 585.1746 14.60884 10069.06       501.3625 0.000000       0.000000 10069.06       501.3625 ?        ?        585.1746 14.60884 0.000000       14.60884 
1 1 1 -3  7  3  o 619.1118 10.84201 11257.53       393.6673 11304.36       559.6219 11211.67       553.8817 619.9023 15.39292 617.3678 15.29757 2.534546       21.70156 
1 1 1 -3  7  4  o 347.8811 6.247832 3550.773       127.4708 3595.923       199.4567 3519.600       165.7333 349.8130 9.731604 346.2830 8.160715 3.530029       12.70045 
1 1 1 -3  7  5  f 177.2509 4.570745 922.2003       47.47483 939.6002       67.19695 904.8597       67.08231 178.8320 6.417391 175.4844 6.529456 3.347565       9.155146 
1 1 1 -3  7  6  o 444.4617 6.807845 5797.372       177.4576 5538.592       240.7357 6105.328       262.6151 434.2701 9.452139 455.9199 9.821564 -21.64978      13.63107 
1 1 1 -3  7  7  o 507.0680 7.521648 7547.925       223.6813 7617.188       318.3796 7480.414       314.3258 509.1085 10.66312 504.5212 10.62307 4.587311       15.05164 
1 1 1 -3  7  8  o 457.0336 6.885078 6131.425       184.5472 6182.508       262.0768 6081.182       259.9150 458.6984 9.742061 454.9241 9.741860 3.774323       13.77721 
1 1 1 -3  7  9  o 216.6196 4.812928 1376.726       61.14454 1425.570       88.59141 1332.293       84.49672 220.2614 6.866469 212.9322 6.774871 7.329224       9.646102 
1 1 1 -3  7  10 o 141.4004 5.037777 587.3746       41.71051 614.1917       59.78812 561.9473       58.21833 144.4716 7.077920 138.1656 7.209656 6.306061       10.10327 
1 1 1 -3  7  11 o 609.9489 8.642275 10925.74       309.1519 10952.35       437.7992 10899.28       436.6169 610.2378 12.23278 608.7582 12.22940 1.479614       17.29738 
1 1 1 -3  7  12 o 56.67690 11.74386 97.91159       37.75206 72.93913       47.38797 141.2943       62.45906 49.63700 15.00783 67.91844 15.95355 -18.28144      21.90321 
1 1 1 -3  7  13 o 1048.734 14.13660 32339.25       869.4819 32300.13       1230.216 32378.31       1229.051 1046.667 20.04113 1047.945 19.99774 -1.278198      28.31178 
1 1 1 -3  7  14 o 143.2802 5.304376 603.0125       44.49598 530.0089       63.08960 675.2674       62.76528 134.1502 8.056037 151.5413 7.081752 -17.39108      10.72618 
1 1 1 -3  7  15 o 760.9841 10.63489 17000.83       474.6342 16991.92       668.5660 17009.88       673.9346 760.3542 14.99263 760.7427 15.10530 -0.3885498     21.28260 
1 1 1 -3  7  16 o 411.2807 7.076673 4962.626       170.6939 4948.389       215.9343 4986.342       278.6952 410.6290 8.966471 411.9322 11.54734 -1.303192      14.61980 
1 1 1 -3  7  17 o 718.8090 10.15879 15167.14       428.2587 15362.33       614.9502 14983.34       596.7578 723.0253 14.50227 714.0775 14.24959 8.947754       20.33142 
1 1 1 -3  7  18 o 659.8589 9.437115 12780.21       365.2085 12779.49       516.7120 12780.92       516.2539 659.5244 13.35879 659.5624 13.34618 -0.3796387E-01 18.88327 
1 1 1 -3  7  19 o 409.8917 6.948625 4929.441       167.0392 5118.639       242.8191 4759.473       230.1482 417.5648 9.915358 402.6561 9.745919 14.90866       13.90314 
1 1 1 -3  7  20 f 355.5998 6.574671 3710.016       137.1153 3770.722       192.4407 3647.420       195.4143 358.2901 9.165755 352.3595 9.464839 5.930573       13.17552 
1 1 1 -3  7  21 o 819.7646 11.61623 19742.15       558.4763 19991.48       797.9835 19502.78       781.8725 824.1562 16.50950 814.0444 16.37711 10.11176       23.25453 
1 1 1 -3  7  22 o 414.9132 6.263244 5051.262       152.4078 5017.836       175.2145 5155.175       308.9294 413.4965 7.225163 418.5827 12.59859 -5.086243      14.52334 
1 1 1 -3  7  23 o 505.4434 7.098936 7498.428       210.4342 7612.460       250.1210 7222.157       389.3162 509.1791 8.375854 495.2723 13.41554 13.90686       15.81555 
1 1 1 -3  7  24 o 160.5632 6.369482 757.8332       59.86018 747.4016       65.87104 807.2922       143.4308 159.4074 7.063423 164.8517 14.99945 -5.444275      16.57937 
1 1 1 -3  7  25 o 241.1372 5.394193 1706.349       76.28536 1702.272       85.88007 1721.600       166.0881 240.7480 6.087340 241.5972 11.75715 -0.8491821     13.23957 
1 1 1 -3  7  26 o 197.3148 5.443267 1143.539       62.92955 1117.023       69.20877 1270.096       151.1988 194.9733 6.059865 207.2661 12.49659 -12.29277      13.88837 
1 1 1 -3  7  27 o 200.4152 6.786961 1181.047       79.65802 1123.774       91.70251 1357.129       160.7908 195.3820 8.019924 214.1395 12.86235 -18.75749      15.15781 
1 1 1 -3  7  28 o 666.6077 9.753018 13078.63       381.2940 12981.85       530.5893 13181.97       548.3094 662.9698 13.64628 667.9354 13.99718 -4.965637      19.54845 
1 1 1 -3  7  29 o 272.9366 6.074143 2187.953       97.22934 2163.469       133.9020 2215.260       141.4111 271.0748 8.432884 274.2540 8.803252 -3.179230      12.19060 
1 1 1 -3  7  30 o 201.7306 6.376996 1196.847       75.35161 1153.574       101.7166 1249.477       112.1760 197.7828 8.791027 205.7859 9.318851 -8.003113      12.81106 
1 1 1 -3  7  31 o 194.4832 7.419096 1113.814       84.46688 1172.127       141.6668 1081.649       105.2142 198.8186 12.20843 191.4049 9.401595 7.413727       15.40895 
1 1 1 -3  7  32 o 196.3674 6.923045 1134.872       79.60438 1109.121       111.9552 1161.204       113.2105 193.7548 9.885051 198.2808 9.765480 -4.525925      13.89528 
1 1 1 -3  7  33 o 113.2425 11.12547 381.9445       72.93595 343.9966       103.8230 418.9199       102.4840 106.2215 17.25780 117.9125 15.17108 -11.69104      22.97810 
1 1 1 -3  7  34 o 262.3523 7.058418 2024.927       108.5046 2105.857       152.5072 1941.968       154.4077 267.1558 9.749993 256.4445 10.28744 10.71124       14.17370 
1 1 1 -3  7  35 o 108.3480 11.65751 350.7484       72.91190 400.4973       103.0586 300.8943       103.1674 115.0693 15.67866 98.84610 18.47554 16.22323       24.23150 
1 1 1 -3  7  36 o 170.7095 8.540744 860.5677       85.23586 779.5637       116.3630 954.3507       125.2056 161.8188 12.35468 179.2095 11.98159 -17.39073      17.21036 
1 1 1 -3  7  37 o 82.94446 16.44059 212.5845       77.14803 201.7372       104.8506 225.3898       113.9204 80.21843 21.74611 84.62083 22.54882 -4.402397      31.32639 
1 1 1 -3  7  38 o 106.4148 13.21350 341.6895       80.69430 298.2957       111.2911 389.7920       117.1739 97.60595 20.11104 112.4181 18.40891 -14.81219      27.26430 
1 1 1 -3  7  39 o 64.67001 19.19659 128.7447       78.07097 8.898031       107.1649 264.2880       113.9669 49.72467 21.11137 91.32069 21.61696 -41.59603      30.21560 
1 1 1 -3  7  40 o 60.63279 19.95971 108.6467       82.20007 112.7191       112.5598 103.9930       120.3252 64.57437 23.26252 64.20498 23.89997 0.3693924      33.35197 
1 1 1 -3  7  41 o 159.9876 9.813210 762.4490       91.63332 733.5709       127.8572 792.9465       131.3933 155.6104 14.16503 161.8983 13.97489 -6.287933      19.89838 
1 1 1 -3  7  42 o 205.9478 8.301267 1259.160       100.0602 1212.455       137.1987 1312.229       146.2473 200.8786 11.69630 208.8800 11.98860 -8.001373      16.74903 
1 1 1 -3  7  43 o 179.0251 9.135302 956.4918       95.59806 950.9584       134.6777 962.1113       135.7204 176.9080 13.07306 177.9359 13.09741 -1.027908      18.50532 
1 1 1 -3  7  44 o 68.04928 19.61010 150.4301       82.52769 185.2895       120.5750 119.7059       113.1976 75.00871 24.13777 64.05103 23.29300 10.95768       33.54393 
1 1 1 -3  7  45 o 36.37653 16.81579 -56.92370      84.31648 -66.15705      121.3603 -48.30814      117.2300 44.17329 20.33168 44.75275 20.36459 -0.5794601     28.77662 
1 1 1 -3  7  46 o 169.0306 10.27412 863.3980       101.3688 808.5827       142.4105 919.6955       144.3230 160.7084 15.29374 172.0492 14.43617 -11.34082      21.03097 
1 1 1 -3  7  47 o 46.68693 19.81688 21.51869       94.38715 54.77949       134.6122 -10.64954      132.3829 56.92836 23.88757 50.25611 22.35159 6.672241       32.71406 
1 1 1 -3  7  48 o 143.8798 13.03727 642.9348       108.8184 758.2960       157.4379 537.4100       150.5762 152.7495 17.91435 125.9987 21.12395 26.75079       27.69739 
1 1 1 -3  7  49 o 96.53508 20.33837 318.4094       111.5066 410.4202       175.6411 256.2876       144.3207 103.4875 28.18384 83.03565 26.37500 20.45184       38.60012 
1 1 1 -3  7  50 o 41.04880 19.14978 -71.32451      113.2533 -326.7341      180.1871 95.46711       145.6103 40.73070 20.17177 61.22709 25.19289 -20.49639      32.27355 
1 1 1 -3  7  51 o 74.07088 24.02559 199.4039       119.3085 177.1189       179.3696 217.0870       159.7798 71.80962 28.52201 76.11512 27.67469 -4.305504      39.74158 
1 1 1 -3  8  1  o 592.0442 10.42871 10294.95       362.1057 10248.91       508.7038 10342.23       515.5545 590.2538 14.69520 592.7325 14.84250 -2.478699      20.88657 
1 1 1 -3  8  2  o 358.5242 6.975701 3772.042       146.6753 3857.488       211.6203 3693.043       203.4794 362.2872 9.969352 354.4889 9.796795 7.798309       13.97731 
1 1 1 -3  8  3  o 539.3693 9.628228 8543.337       304.5671 8742.593       442.9404 8364.643       419.4638 545.0206 13.86867 533.1638 13.42545 11.85687       19.30240 
1 1 1 -3  8  4  o 587.7816 9.385148 10146.00       323.5248 10394.23       523.8148 9992.915       411.3647 594.0508 15.04712 583.0532 12.03007 10.99756       19.26496 
1 1 1 -3  8  5  f 631.7744 9.924915 11725.38       367.7387 11834.77       587.6521 11654.97       471.4583 633.8383 15.80852 629.5035 12.77011 4.334839       20.32203 
1 1 1 -3  8  6  o 324.2487 5.591856 3085.005       106.3371 3099.904       151.6616 3070.598       149.1368 324.9237 7.958730 323.3891 7.863376 1.534546       11.18812 
1 1 1 -3  8  7  o 603.4358 8.652682 10695.32       306.2191 10734.02       435.2029 10657.37       430.9471 604.0249 12.28532 601.8767 12.20860 2.148193       17.31990 
1 1 1 -3  8  8  o 188.8591 4.897691 1047.196       54.20173 1028.620       75.64353 1066.798       77.70361 187.0611 6.906915 190.5016 6.966651 -3.440475      9.810184 
1 1 1 -3  8  9  o 544.0287 7.904857 8690.903       252.2124 8749.593       359.4394 8633.980       353.9874 545.4780 11.23564 541.8751 11.13879 3.602844       15.82126 
1 1 1 -3  8  10 o 402.0866 6.253601 4744.629       147.4688 4782.063       211.3589 4709.121       205.8549 403.5042 8.931448 400.4268 8.765718 3.077393       12.51433 
1 1 1 -3  8  11 o 806.0232 11.10706 19091.69       525.0456 19053.52       739.6542 19130.46       745.4327 804.3646 15.67925 805.9669 15.77033 -1.602356      22.23830 
1 1 1 -3  8  12 o 173.4278 4.918100 882.9934       49.97213 861.3505       70.56934 904.7618       70.77364 171.1822 7.044265 175.4588 6.891143 -4.276535      9.854417 
1 1 1 -3  8  13 o 597.4360 8.387136 10475.35       293.8702 10416.99       413.4315 10534.96       417.7932 595.5208 11.83739 598.8786 11.89521 -3.357788      16.78153 
1 1 1 -3  8  14 o 382.4704 7.651267 4292.225       171.6254 4392.332       245.4160 4196.407       240.1014 386.6346 10.83378 377.9055 10.84452 8.729126       15.32887 
1 1 1 -3  8  15 o 676.8519 10.32195 13448.26       409.7375 13903.37       544.7658 12855.43       621.7482 687.9517 13.50210 661.2728 16.03184 26.67889       20.96012 
1 1 1 -3  8  16 o 690.5173 9.776850 13995.40       395.9352 13754.15       550.1974 14254.51       570.2126 684.2239 13.71102 696.5344 13.95866 -12.31055      19.56620 
1 1 1 -3  8  17 o 511.9384 7.697592 7689.979       231.1124 7801.723       331.1706 7583.893       322.6793 515.4808 10.95440 508.2410 10.82557 7.239807       15.40104 
1 1 1 -3  8  18 o 508.2369 7.752243 7579.511       231.0703 7673.160       329.7413 7489.150       323.9023 511.1952 10.99857 505.0324 10.93564 6.162842       15.50989 
1 1 1 -3  8  19 o 488.9178 7.723653 7014.535       221.4671 6917.721       311.9523 7112.916       314.4664 485.3586 10.95910 492.1626 10.89469 -6.803986      15.45303 
1 1 1 -3  8  20 o 381.9826 6.587695 4281.056       147.5800 4251.628       206.5498 4311.748       210.9388 380.5637 9.254371 383.2390 9.385042 -2.675232      13.18038 
1 1 1 -3  8  21 o 627.4193 8.989236 11556.73       330.7739 11434.60       462.1437 11685.01       473.6378 623.7462 12.63335 630.5192 12.80848 -6.772949      17.99052 
1 1 1 -3  8  22 o 524.3336 7.312161 8069.071       224.8557 7904.522       256.7326 8611.013       465.9179 518.8831 8.436473 540.7235 14.70574 -21.84039      16.95385 
1 1 1 -3  8  23 o 509.0080 10.74502 7614.724       320.7616 7614.724       320.7616 0.000000       0.000000 509.0080 10.74502 ?        ?        0.000000       10.74502 
1 1 1 -3  8  24 o 352.7765 5.906303 3652.299       122.1985 3565.430       138.9657 3948.520       256.6173 348.5107 6.798938 366.1571 11.96607 -17.64639      13.76272 
1 1 1 -3  8  25 o 194.6944 5.670733 1113.446       64.68153 1088.413       71.65781 1223.554       150.2869 192.4489 6.357613 203.4436 12.65854 -10.99467      14.16538 
1 1 1 -3  8  26 f 401.8374 6.132097 4740.597       144.5140 4727.194       167.5339 4779.565       285.6605 401.1867 7.120420 402.6189 12.11154 -1.432251      14.04955 
1 1 1 -3  8  27 o 215.5832 5.663458 1365.370       71.54359 1348.935       78.70014 1443.604       171.7103 214.2362 6.270464 220.7791 13.32336 -6.542877      14.72517 
1 1 1 -3  8  28 o 76.36885 12.30083 176.3395       53.22252 196.3195       57.18015 46.80920       145.5904 80.63965 12.49442 62.06207 25.32415 18.57758       28.23868 
1 1 1 -3  8  29 o 324.9788 6.918701 3103.601       131.8652 3138.917       162.9362 3036.559       224.4941 326.5320 8.515541 320.5459 11.96263 5.986053       14.68397 
1 1 1 -3  8  30 o 198.5221 6.357792 1159.131       73.92740 1240.834       103.0829 1072.609       106.0798 205.1610 8.586227 190.6003 9.519961 14.56067       12.82002 
1 1 1 -3  8  31 o 240.3053 6.333594 1697.957       89.18364 1673.193       124.7167 1723.871       127.5815 238.2236 8.942543 241.7992 9.012452 -3.575562      12.69620 
1 1 1 -3  8  32 o 164.7809 7.898122 800.5482       76.10530 925.5339       110.0419 685.9532       105.3685 176.8357 10.66004 151.9443 11.91967 24.89146       15.99109 
1 1 1 -3  8  33 o 120.1449 15.33230 434.9227       105.5764 0.000000       0.000000 434.9227       105.5764 ?        ?        120.1449 15.33230 0.000000       15.33230 
1 1 1 -3  8  34 o 364.8716 6.951917 3913.725       148.7631 3830.926       203.0331 4009.701       218.5930 360.4536 9.612911 368.6654 10.11963 -8.211853      13.95761 
1 1 1 -3  8  35 o 329.9160 6.905968 3200.525       133.6221 3247.071       182.6484 3146.926       195.9976 331.7881 9.395978 326.4454 10.25010 5.342712       13.90500 
1 1 1 -3  8  36 o 136.7835 10.22936 555.3806       81.46590 577.9186       110.1857 528.2053       120.9914 138.8930 13.70518 132.2243 15.92253 6.668686       21.00855 
1 1 1 -3  8  37 o 180.9434 8.340168 967.1089       88.26701 935.4438       119.2487 1005.481       131.2726 177.3609 11.52668 183.7450 12.25169 -6.384155      16.82166 
1 1 1 -3  8  38 o 265.5361 7.216160 2078.057       112.2735 2027.313       150.9872 2140.817       167.9161 261.7018 9.855064 268.7216 10.67590 -7.019897      14.52918 
1 1 1 -3  8  39 o 207.6582 8.148611 1274.128       99.04654 1251.505       134.8250 1300.651       145.9856 205.1019 11.25167 208.9080 11.96534 -3.806046      16.42466 
1 1 1 -3  8  40 o 35.15987 16.35488 -69.57566      81.65904 -10.56836      113.1648 -133.6793      117.9505 48.67573 21.18741 39.71056 18.83627 8.965176       28.34980 
1 1 1 -3  8  41 o 184.5033 9.016120 1011.356       97.26515 972.8211       133.9972 1054.272       141.4092 179.7663 12.79336 187.1096 12.96660 -7.343353      18.21545 
1 1 1 -3  8  42 o 224.4196 7.870007 1493.581       103.4222 1545.971       144.4925 1438.546       148.0962 227.1801 10.87646 218.8185 11.58134 8.361649       15.88788 
1 1 1 -3  8  43 o 176.0122 9.244344 925.4308       95.09205 983.7217       135.1253 868.2395       133.8448 179.9576 12.88847 168.6570 13.64801 11.30054       18.77181 
1 1 1 -3  8  44 o 91.50694 16.44668 265.8477       85.01952 131.7482       119.3653 403.9317       121.1256 66.33111 23.94756 111.9693 19.13198 -45.63817      30.65156 
1 1 1 -3  8  45 o 103.7681 15.54366 339.6808       91.68684 324.7858       135.0037 352.4323       124.9129 97.19679 23.86218 102.7204 21.42910 -5.523651      32.07195 
1 1 1 -3  8  46 o 147.8266 11.61774 666.8997       99.91334 726.3837       142.7654 609.7988       139.8765 151.5369 16.32107 137.8500 17.71033 13.68687       24.08387 
1 1 1 -3  8  47 o 94.55123 18.78671 296.0064       100.5040 576.8668       145.7218 41.19818       138.7989 132.4443 19.32987 56.00074 23.90920 76.44353       30.74563 
1 1 1 -3  8  48 o 150.7277 12.98933 705.4520       113.7044 728.2322       171.8397 687.7101       151.6506 147.4705 20.41560 145.0505 18.22840 2.419952       27.36916 
1 1 1 -3  8  49 o 39.06627 18.35741 -83.55029      107.2854 -26.27807      161.3063 -128.9832      143.6695 52.76001 23.96115 43.31816 20.61648 9.441853       31.60974 
1 1 1 -3  8  50 f 161.3875 13.01619 813.9677       122.1539 954.1118       181.7687 698.5499       164.9559 169.6366 18.57372 143.5449 20.14823 26.09171       27.40318 
1 1 1 -3  8  51 o 62.94435 23.75792 128.1473       119.7664 82.35550       184.8970 161.2492       157.2036 63.14132 27.28451 69.04666 26.91997 -5.905346      38.32922 
1 1 1 -3  9  1  o 354.1988 6.934732 3682.044       144.0546 3709.345       204.8806 3655.351       202.5869 355.2186 9.844043 352.6253 9.805485 2.593292       13.89434 
1 1 1 -3  9  2  o 209.1021 5.319715 1283.642       65.18451 1318.214       92.53515 1249.589       91.83843 211.7833 7.461800 206.1805 7.608023 5.602844       10.65648 
1 1 1 -3  9  3  o 57.93567 8.350297 100.5823       27.55443 93.34526       36.63672 110.0070       41.80930 55.31299 11.66175 60.07530 12.28152 -4.762306      16.93612 
1 1 1 -3  9  4  o 125.4996 5.508374 463.0350       40.44427 468.3724       56.02995 457.2286       58.43979 126.0771 7.613109 124.5270 8.044980 1.550087       11.07615 
1 1 1 -3  9  5  o 537.0104 8.653860 8470.125       272.5481 8429.325       426.0686 8498.382       354.5846 534.9100 13.59253 537.6057 11.24619 -2.695679      17.64182 
1 1 1 -3  9  6  o 78.09447 7.413623 180.6666       33.54812 183.1884       45.39810 177.6327       49.79450 78.30260 10.12239 76.89577 11.38505 1.406837       15.23424 
1 1 1 -3  9  7  o 88.75274 6.748998 232.5564       34.86608 250.7034       46.62112 209.5263       52.52052 91.97051 8.748623 83.70866 10.96122 8.261856       14.02451 
1 1 1 -3  9  8  o 579.3989 8.483680 9859.646       288.2787 9838.540       407.6316 9880.766       407.7436 578.3194 12.01848 579.5625 11.99600 -1.243103      16.98081 
1 1 1 -3  9  9  o 601.4390 8.682204 10623.21       306.2472 10605.35       432.8717 10641.10       433.3264 600.4810 12.29163 601.4934 12.28383 -1.012390      17.37747 
1 1 1 -3  9  10 o 609.5777 8.716888 10910.67       311.6313 11004.09       444.6518 10820.49       436.8774 611.7700 12.39314 606.6599 12.27902 5.110168       17.44604 
1 1 1 -3  9  11 o 705.7703 9.805239 14627.04       405.8561 14852.69       586.0465 14419.09       562.6052 710.6671 14.06097 700.2682 13.69900 10.39893       19.63093 
1 1 1 -3  9  12 o 367.7209 6.548449 3967.215       141.2236 4190.896       190.9978 3697.433       209.7585 377.8726 8.618516 354.7265 10.09293 23.14609       13.27200 
1 1 1 -3  9  13 o 566.5379 8.073956 9418.478       268.2661 9447.995       384.8564 9390.581       374.1415 567.2172 11.56908 565.5110 11.28091 1.706177       16.15867 
1 1 1 -3  9  14 o 308.0708 6.943273 2784.388       125.4484 2908.343       181.9760 2672.135       173.1730 314.6219 9.874441 301.5663 9.804477 13.05560       13.91518 
1 1 1 -3  9  15 o 395.4804 7.060049 4588.652       163.7507 4504.454       204.5795 4738.782       273.1764 391.7780 8.903720 401.5616 11.61173 -9.783569      14.63245 
1 1 1 -3  9  16 o 388.1964 6.389372 4420.850       145.4655 4333.398       202.6266 4513.852       208.9582 384.2587 8.991295 392.1743 9.085101 -7.915680      12.78211 
1 1 1 -3  9  17 o 315.6710 8.140300 2926.098       150.5785 3120.655       216.9245 2745.173       209.1866 325.7964 11.37046 305.5183 11.69631 20.27805       16.31230 
1 1 1 -3  9  18 f 743.9425 10.57164 16250.04       461.2455 16180.30       651.2360 16320.24       653.3685 741.8684 14.96790 745.0716 14.95236 -3.203186      21.15682 
1 1 1 -3  9  19 o 797.8925 11.17505 18697.36       522.9307 18941.82       752.2297 18468.74       727.4634 802.4437 15.98400 792.4109 15.65345 10.03278       22.37228 
1 1 1 -3  9  20 o 681.1951 9.811324 13624.77       391.9671 12913.60       517.2380 14584.07       600.7366 662.8171 13.30596 704.2197 14.54539 -41.40265      19.71337 
1 1 1 -3  9  21 o 408.8979 6.761181 4906.304       162.1392 4887.257       225.7862 4926.585       232.9820 407.9681 9.436709 409.5906 9.698887 -1.622498      13.53218 
1 1 1 -3  9  22 o 310.1721 6.159037 2823.085       112.0382 2778.098       155.8574 2871.190       161.1679 307.4672 8.651875 312.5688 8.800653 -5.101593      12.34125 
1 1 1 -3  9  23 o 528.7177 7.334372 8206.525       227.4245 8174.861       264.4030 8296.573       445.8846 527.5900 8.545142 530.5729 14.34252 -2.982910      16.69513 
1 1 1 -3  9  24 o 149.3349 6.316953 655.7526       55.19978 660.8746       60.15994 628.4776       138.8257 149.8811 6.862210 144.9794 16.62781 4.901611       17.98816 
1 1 1 -3  9  25 o 204.2865 5.440096 1225.673       65.11933 1240.793       72.31651 1160.852       149.7326 205.5088 6.006518 198.0723 12.96088 7.436447       14.28505 
1 1 1 -3  9  26 o 288.5619 5.547254 2444.234       93.87880 2369.097       104.5632 2756.558       213.1841 284.0513 6.276702 305.6512 11.91547 -21.59985      13.46756 
1 1 1 -3  9  27 o 314.8007 5.756177 2909.598       106.2724 2900.500       120.7009 2940.973       224.1463 314.2505 6.549139 315.5884 12.13305 -1.337952      13.78775 
1 1 1 -3  9  28 o 198.5961 5.973202 1159.311       69.49195 1175.324       76.75352 1086.497       163.6726 199.9157 6.555240 191.0743 14.71910 8.841400       16.11283 
1 1 1 -3  9  29 o 126.0113 7.855721 468.7682       57.76707 454.7956       62.81096 545.4346       147.1293 124.0172 8.690823 133.9279 19.28705 -9.910751      21.15469 
1 1 1 -3  9  30 f 32.12275 14.34409 -22.69829      55.08898 8.822992       59.27076 -222.7298      149.3096 38.12910 15.91447 42.18328 20.32371 -4.054180      25.81324 
1 1 1 -3  9  31 o 142.1369 10.19613 598.5685       84.43026 624.6629       99.42542 531.0979       159.8754 144.9717 11.79586 131.4646 21.47670 13.50710       24.50288 
1 1 1 -3  9  32 f 89.20928 18.40590 245.7509       93.10168 0.000000       0.000000 245.7509       93.10168 ?        ?        89.20928 18.40590 0.000000       18.40590 
1 1 1 -3  9  33 o 178.4148 9.304966 940.0002       97.02701 1052.671       128.2152 789.0073       148.4267 188.4736 11.65653 162.2825 15.79477 26.19109       19.63032 
1 1 1 -3  9  34 o 134.5624 10.28654 537.0220       80.56359 500.0272       112.2165 576.3719       115.7331 128.9493 15.12560 138.7056 14.43805 -9.756271      20.91031 
1 1 1 -3  9  35 o 243.2295 7.098343 1741.502       101.1484 1620.421       132.4708 1910.791       156.6380 234.2250 9.664294 254.2140 10.52903 -19.98897      14.29192 
1 1 1 -3  9  36 o 296.4277 6.944400 2585.110       120.7269 2477.016       159.1856 2731.460       185.2248 289.6246 9.384076 303.9112 10.40742 -14.28662      14.01340 
1 1 1 -3  9  37 o 144.7164 9.943310 621.6653       83.87873 547.6097       111.2219 719.3338       127.7287 134.8793 14.27677 154.7940 14.22874 -19.91466      20.15646 
1 1 1 -3  9  38 o 266.9428 7.271277 2100.490       113.7299 2063.852       153.3786 2145.237       169.5046 264.0111 9.923520 268.9445 10.76830 -4.933411      14.64352 
1 1 1 -3  9  39 o 126.7521 11.88387 481.4778       87.31104 496.8094       119.1242 463.6813       128.3435 127.6033 16.28884 122.5500 18.42692 5.053299       24.59426 
1 1 1 -3  9  40 o 124.4012 12.27273 465.7148       88.37476 499.3582       123.4323 430.3285       126.5891 127.4549 16.93124 117.4597 19.02655 9.995186       25.46913 
1 1 1 -3  9  41 o 203.0822 8.322670 1223.198       98.91537 1314.019       141.6364 1136.729       138.2018 209.4103 11.57763 194.5045 12.17636 14.90579       16.80194 
1 1 1 -3  9  42 o 78.48186 18.02702 197.4590       81.22490 119.9594       113.2213 279.6411       116.5916 64.64673 23.32526 92.30083 21.87473 -27.65411      31.97767 
1 1 1 -3  9  43 o 33.50317 15.72788 -73.47142      78.41760 -31.68224      113.3475 -111.8355      108.6031 45.75536 20.49302 38.34653 18.15548 7.408829       27.37855 
1 1 1 -3  9  44 o 40.06557 17.87232 -23.00365      85.29012 83.07822       124.1304 -117.8755      117.3887 59.94354 23.75334 39.79811 18.85242 20.14543       30.32549 
1 1 1 -3  9  45 o 151.3776 11.43807 696.9722       100.7951 657.5209       143.2607 735.6458       141.8415 143.7478 17.34332 152.9687 16.04939 -9.220901      23.62993 
1 1 1 -3  9  46 o 59.96009 21.17640 110.8209       92.82344 129.7365       134.6512 93.69155       128.1354 66.12342 25.13756 60.86494 24.12869 5.258480       34.84380 
1 1 1 -3  9  47 o 64.35678 22.08642 135.4824       100.5917 -49.72797      152.1789 279.2037       134.0547 50.28015 23.00292 88.25539 24.85024 -37.97523      33.86250 
1 1 1 -3  9  48 o 54.22766 21.71394 70.05950       104.7997 -23.17977      157.1030 144.8162       140.6728 52.58669 23.78836 67.39259 25.67600 -14.80589      35.00204 
1 1 1 -3  9  49 o 54.62984 21.89488 72.94754       106.6537 132.3069       155.9041 20.73131       146.2230 66.46590 26.52797 54.30399 23.84954 12.16190       35.67259 
1 1 1 -3  9  50 o 112.1468 18.01653 418.1108       114.4851 377.4599       172.5654 450.0689       153.0063 97.92201 28.39842 111.4887 24.10398 -13.56673      37.24879 
1 1 1 -3  9  51 o 60.03098 22.77882 112.8194       110.4412 -89.86489      155.0278 321.6838       157.3736 47.01170 22.08349 90.63430 27.33786 -43.62260      35.14313 
1 1 1 -3  10 1  o 770.7232 13.28620 17485.38       600.5510 17688.50       862.4161 17294.16       836.7787 773.6458 19.00746 765.0847 18.64879 8.561096       26.62820 
1 1 1 -3  10 2  o 380.7070 7.347172 4255.151       164.0445 4294.125       233.5345 4217.189       230.4835 382.0763 10.43175 378.6403 10.38898 3.435944       14.72251 
1 1 1 -3  10 3  o 642.9940 11.25689 12157.91       424.4980 12201.65       602.6806 12114.84       598.0083 643.2318 15.97604 640.9550 15.90850 2.276794       22.54582 
1 1 1 -3  10 4  o 360.2434 7.088752 3809.879       149.7671 3724.464       205.5573 3906.526       218.6541 355.8560 9.858862 364.4139 10.24102 -8.557983      14.21533 
1 1 1 -3  10 5  o 352.7497 6.474710 3652.309       133.9484 3692.363       207.1504 3623.528       175.5988 354.3071 9.979028 351.2343 8.524601 3.072815       13.12440 
1 1 1 -3  10 6  o 606.8790 9.631443 10822.23       342.8025 10867.54       542.7666 10792.17       442.1503 607.0200 15.25822 605.6189 12.44858 1.401062       19.69215 
1 1 1 -3  10 7  o 441.6319 7.435277 5725.938       192.5786 5796.271       305.8116 5679.718       247.9081 443.7943 11.75992 439.6741 9.614116 4.120270       15.18970 
1 1 1 -3  10 8  o 417.6870 6.583041 5120.151       161.2605 5143.616       228.9589 5097.052       227.1652 418.4680 9.329208 416.5719 9.298253 1.896118       13.17162 
1 1 1 -3  10 9  o 681.5560 9.521170 13642.10       380.5768 13861.76       548.7205 13438.49       528.2943 686.4765 13.62935 675.9603 13.32613 10.51624       19.06161 
1 1 1 -3  10 10 o 769.4771 10.68075 17390.86       482.0009 17546.24       689.1893 17242.09       674.3572 772.2586 15.21687 765.5687 15.01950 6.689941       21.38079 
1 1 1 -3  10 11 o 753.2749 10.49592 16661.47       463.6865 16520.82       650.6662 16806.61       660.9585 749.5895 14.80077 756.0306 14.90680 -6.441101      21.00655 
1 1 1 -3  10 12 o 768.0888 10.63836 17320.95       479.2217 17337.64       681.7122 17304.65       673.8008 767.9807 15.13562 767.2698 14.97383 0.7108765      21.29090 
1 1 1 -3  10 13 o 1289.031 17.19273 48868.24       1299.747 48680.54       1832.796 49058.14       1843.490 1284.661 24.32624 1289.619 24.37411 -4.957764      34.43637 
1 1 1 -3  10 14 o 824.4228 14.18737 19970.22       685.9657 20072.61       975.6864 19870.15       964.6124 825.7011 20.14823 821.5473 20.02026 4.153809       28.40355 
1 1 1 -3  10 15 o 629.6874 9.022630 11636.70       333.2029 11511.28       466.0547 11767.85       476.5609 626.0311 12.69377 632.9576 12.83788 -6.926514      18.05389 
1 1 1 -3  10 16 o 133.3191 11.02231 525.4261       85.41236 579.5835       112.4481 451.5674       131.3179 139.7587 13.90321 122.4501 18.89291 17.30855       23.45722 
1 1 1 -3  10 17 o 230.4479 6.997047 1559.567       94.45714 1505.527       137.6241 1607.694       129.8774 226.2112 10.40145 233.8386 9.490085 -7.627380      14.08019 
1 1 1 -3  10 18 o 677.2924 9.732124 13466.89       386.5755 13631.86       552.7048 13308.90       540.8875 681.0325 13.83805 672.9316 13.70520 8.100952       19.47625 
1 1 1 -3  10 19 o 680.2050 9.697265 13584.19       386.8474 13769.99       556.1729 13410.06       538.4280 684.4033 13.85630 675.4313 13.59239 8.971985       19.41005 
1 1 1 -3  10 20 o 638.1591 9.159506 11956.45       342.8085 12227.38       497.9401 11712.32       472.6563 644.9351 13.16469 631.2522 12.76709 13.68286       18.33870 
1 1 1 -3  10 21 o 514.4892 7.785833 7769.882       234.9264 7503.629       319.3896 8083.740       346.7690 505.3623 10.77624 524.4855 11.27344 -19.12317      15.59544 
1 1 1 -3  10 22 o 403.7649 7.998994 4786.542       189.4150 4743.961       220.3201 4907.188       370.8530 401.8729 9.347918 407.8234 15.53366 -5.950470      18.12948 
1 1 1 -3  10 23 o 180.6953 6.427287 959.5509       68.00372 881.8262       92.63882 1050.377       100.1425 173.0071 9.162836 188.8692 9.067282 -15.86206      12.89082 
1 1 1 -3  10 24 o 276.8606 5.441736 2249.480       88.35867 2240.592       100.1316 2280.751       187.8164 276.2819 6.179714 278.1625 11.53794 -1.880615      13.08866 
1 1 1 -3  10 25 o 399.5038 6.172489 4685.655       144.6211 4623.865       165.9003 4881.238       295.1591 396.7835 7.129236 406.8520 12.38441 -10.06851      14.28984 
1 1 1 -3  10 26 o 35.51075 14.63690 10.95033       49.26385 21.21238       52.64576 -61.31231      139.7022 38.46172 15.39374 50.62699 22.70713 -12.16527      27.43321 
1 1 1 -3  10 27 o 225.7512 5.803636 1497.416       76.77512 1577.629       86.95593 1213.775       163.5170 231.6734 6.406040 202.2206 13.87156 29.45271       15.27931 
1 1 1 -3  10 28 o 250.5853 5.651952 1843.911       83.06241 1835.060       92.87713 1879.273       185.6490 249.8578 6.343322 251.9691 12.60305 -2.111359      14.10938 
1 1 1 -3  10 29 o 323.9702 5.910964 3082.898       112.3088 3195.529       130.2639 2756.719       221.6785 329.7525 6.735740 305.2357 12.40921 24.51678       14.11944 
1 1 1 -3  10 30 o 271.5669 6.434023 2167.107       102.4731 2205.154       118.4474 2053.899       204.3182 273.7512 7.384408 263.1599 13.28138 10.59137       15.19620 
1 1 1 -3  10 31 o 130.4071 9.123243 503.2018       69.33506 529.3546       75.80332 369.2793       171.5363 133.6881 9.734900 108.1614 27.10023 25.52667       28.79567 
1 1 1 -3  10 32 o 336.3601 6.394328 3324.445       126.1392 3345.575       143.7610 3253.758       262.9446 337.3267 7.266742 331.3116 13.56113 6.015045       15.38538 
1 1 1 -3  10 33 o 461.7869 9.572444 6282.541       259.2477 5707.253       457.2829 6555.023       314.7106 437.2622 17.86934 471.2384 11.38728 -33.97620      21.18923 
1 1 1 -3  10 34 o 118.9973 11.08974 421.5936       76.50326 367.0733       107.3117 477.9402       109.0942 109.7313 17.24306 126.0208 15.05844 -16.28953      22.89279 
1 1 1 -3  10 35 o 388.7682 7.106054 4445.890       162.0204 4291.191       215.6425 4646.419       245.5163 381.3231 9.650278 396.5534 10.56611 -15.23035      14.30981 
1 1 1 -3  10 36 o 439.2600 7.540488 5681.057       194.2547 5614.729       262.5694 5761.259       288.7249 435.9329 10.27008 441.1456 11.16866 -5.212708      15.17279 
1 1 1 -3  10 37 o 369.5915 7.097556 4021.706       153.8443 3892.631       204.3394 4190.614       233.7522 362.8820 9.609891 376.1988 10.60526 -13.31674      14.31159 
1 1 1 -3  10 38 o 85.77563 16.47913 227.8177       79.88696 300.1277       107.7651 139.6046       119.0270 97.97941 19.44037 69.77744 24.02234 28.20197       30.90309 
1 1 1 -3  10 39 o 305.0908 7.441886 2744.628       133.1566 2825.451       181.0688 2649.443       196.5000 308.7029 10.01446 298.4950 11.24481 10.20789       15.05773 
1 1 1 -3  10 40 o 41.88336 18.06488 -3.118752      80.75687 -3.854845      115.6202 -2.417569      112.8453 49.74878 21.53662 49.32379 21.31454 0.4249878      30.30076 
1 1 1 -3  10 41 o 144.9233 10.45061 628.9583       88.22749 600.4213       121.2840 661.0322       128.5804 140.0508 14.99951 146.9634 15.13429 -6.912567      21.30803 
1 1 1 -3  10 42 o 122.9530 12.06010 458.6683       85.84664 255.8281       121.8282 658.7175       120.9871 87.69716 23.29537 146.6581 14.24564 -58.96097      27.30590 
1 1 1 -3  10 43 o 31.37056 14.98171 -95.69944      77.23139 -144.3774      113.3356 -53.49915      105.5256 37.34272 17.91787 42.05391 19.20744 -4.711189      26.26739 
1 1 1 -3  10 44 o 38.48692 17.54688 -43.69387      87.56218 -207.7575      127.8080 101.4303       120.2047 37.00861 18.05496 61.78454 23.68644 -24.77593      29.78303 
1 1 1 -3  10 45 o 89.41074 20.50813 267.5828       105.2467 166.2559       179.3213 320.8287       129.9908 73.97813 28.77729 96.59319 23.23185 -22.61505      36.98447 
1 1 1 -3  10 46 o 68.32327 21.33697 156.3374       94.83276 189.3569       135.0538 124.2214       133.1931 74.41635 25.58975 65.14498 24.94370 9.271370       35.73547 
1 1 1 -3  10 47 o 139.1249 13.40707 602.5767       108.0397 646.5214       157.3451 563.3753       148.6111 139.6770 19.75887 129.9790 20.14676 9.697937       28.21887 
1 1 1 -3  10 48 f 62.72713 22.56404 127.0592       105.8566 99.68755       163.8713 146.6599       138.6720 63.92126 26.55319 67.39620 25.53593 -3.474945      36.83959 
1 1 1 -3  10 49 o 82.40841 21.68183 239.2987       106.1831 213.1835       157.2036 261.2099       143.9954 76.20237 27.48617 83.40526 26.32701 -7.202888      38.06049 
1 1 1 -3  10 50 o 101.1948 19.02964 346.5999       108.7934 444.8532       155.8819 253.2908       151.9091 110.1595 24.73522 81.33384 27.14638 28.82566       36.72543 
1 1 1 -3  11 1  o 423.7357 7.974499 5272.695       198.1751 5397.708       286.6262 5158.201       274.3036 428.2566 11.42218 418.6726 11.18138 9.583954       15.98404 
1 1 1 -3  11 2  o 326.8284 6.698178 3135.425       128.3887 3170.753       181.9374 3100.382       181.2030 328.3654 9.457292 324.6914 9.526075 3.674011       13.42336 
1 1 1 -3  11 3  o 205.9971 5.568572 1246.113       67.21355 1270.751       94.22285 1220.585       95.90820 207.8893 7.741637 203.7164 8.043287 4.172913       11.16366 
1 1 1 -3  11 4  o 211.8915 5.623162 1318.416       69.81693 1321.630       96.11440 1314.826       101.5846 212.0179 7.742754 211.4363 8.207742 0.5816193      11.28349 
1 1 1 -3  11 5  o 429.8697 8.080424 5426.029       203.7143 5346.647       282.2458 5512.350       294.3248 426.2898 11.29939 432.8103 11.60569 -6.520508      16.19778 
1 1 1 -3  11 6  o 481.5758 8.043299 6809.165       227.1692 6936.686       360.9409 6725.516       292.3305 485.4482 12.68864 478.4057 10.41903 7.042419       16.41821 
1 1 1 -3  11 7  o 768.1347 11.92348 17345.29       537.1442 18001.83       889.9075 16969.01       673.7120 780.9238 19.43058 759.1784 15.13143 21.74542       24.62737 
1 1 1 -3  11 8  o 605.2269 9.644493 10756.83       342.3325 10842.95       544.1833 10700.42       440.3874 606.7900 15.30393 603.3485 12.44561 3.441467       19.72571 
1 1 1 -3  11 9  o 196.0324 5.367494 1128.160       61.65112 1153.265       86.70261 1102.486       87.68134 198.0986 7.476189 193.6667 7.735283 4.431900       10.75770 
1 1 1 -3  11 10 o 964.8039 13.21934 27352.76       747.9963 27225.60       1056.002 27480.81       1059.661 961.5543 18.72580 966.0555 18.70312 -4.501221      26.46625 
1 1 1 -3  11 11 o 123.7685 7.019701 450.8798       50.74521 481.7545       63.01150 393.9025       85.59923 127.8478 8.451212 115.0811 12.90484 12.76670       15.42589 
1 1 1 -3  11 12 o 190.7574 6.656950 1068.816       74.36029 1108.119       101.6195 1023.512       109.1013 194.1108 8.950503 186.4646 10.01334 7.646271       13.43051 
1 1 1 -3  11 13 o 400.8758 7.939038 4715.311       186.6501 4605.070       254.3334 4843.985       274.7766 395.8992 10.96445 406.0042 11.55155 -10.10504      15.92663 
1 1 1 -3  11 14 o 545.3149 7.914403 8725.506       253.1139 8830.752       363.3018 8626.232       352.8417 548.4136 11.29559 542.0378 11.09941 6.375793       15.83626 
1 1 1 -3  11 15 o 374.7273 6.526540 4119.519       143.4329 4019.164       200.3270 4225.083       205.4600 370.0515 9.230531 379.4126 9.233472 -9.361115      13.05602 
1 1 1 -3  11 16 o 355.9264 8.514731 3717.834       177.7386 3831.743       246.9696 3595.449       255.9939 361.0221 11.67969 349.6344 12.50445 11.38763       17.11071 
1 1 1 -3  11 17 o 213.9281 9.913191 1346.440       124.0365 1150.951       159.8559 1642.208       196.6267 197.4056 13.89640 235.9368 14.27688 -38.53117      19.92333 
1 1 1 -3  11 18 o 389.0513 8.225684 4442.303       187.6850 4305.723       218.2635 4829.880       367.6773 382.8351 9.729059 404.9291 15.51105 -22.09402      18.30976 
1 1 1 -3  11 19 o 692.8366 9.867882 14095.09       400.9639 14238.97       577.6351 13961.29       557.0237 695.8685 14.15389 689.0991 13.78293 6.769409       19.75606 
1 1 1 -3  11 20 o 393.7118 6.682014 4548.660       154.2895 4582.831       218.8099 4514.868       217.5918 395.0491 9.444205 392.1078 9.462076 2.941254       13.36877 
1 1 1 -3  11 21 f 427.7658 8.635178 5373.182       216.6346 5529.889       440.0823 5323.065       248.8770 432.7079 17.37692 425.6686 9.969253 7.039337       20.03355 
1 1 1 -3  11 22 o 456.7343 7.209852 6123.913       193.1259 6124.512       272.2814 6123.306       273.9690 456.5066 10.16999 456.4554 10.23417 0.5126953E-01  14.42799 
1 1 1 -3  11 23 o 232.7154 6.156478 1590.663       83.95110 1536.906       116.3131 1649.120       121.2929 228.5591 8.693048 236.7626 8.750236 -8.203506      12.33433 
1 1 1 -3  11 24 o 342.8458 6.230119 3450.648       125.2696 3484.536       176.1382 3415.963       178.1956 344.2310 8.731802 340.8035 8.923106 3.427460       12.48464 
1 1 1 -3  11 25 o 110.5729 8.261239 361.3229       53.18560 366.9469       58.06524 332.0181       132.5455 111.3588 8.966547 103.6121 22.46142 7.746765       24.18500 
1 1 1 -3  11 26 o 295.9617 5.569888 2571.547       96.67908 2561.254       109.6555 2607.481       204.8800 295.3189 6.331238 297.1965 11.77786 -1.877563      13.37171 
1 1 1 -3  11 27 o 358.6050 5.893192 3776.393       123.9417 3815.138       143.2660 3661.129       247.1068 360.3563 6.778917 352.0983 11.98405 8.258057       13.76849 
1 1 1 -3  11 28 o 268.6141 6.327446 2119.729       99.67995 2171.385       115.1208 1964.979       199.2547 271.6953 7.231151 257.4907 13.23905 14.20456       15.08516 
1 1 1 -3  11 29 o 249.0157 8.489172 1826.862       123.7961 1933.823       159.1110 1662.788       197.0637 255.8769 10.62587 236.5300 14.27234 19.34689       17.79351 
1 1 1 -3  11 30 f 231.1333 6.196867 1570.732       83.92538 1547.968       93.05105 1670.008       194.3231 229.3751 6.925038 237.0563 14.04015 -7.681259      15.65509 
1 1 1 -3  11 31 o 213.7993 6.672922 1344.715       83.56815 1367.646       92.05762 1237.305       199.2351 215.5494 7.292699 203.2883 16.86262 12.26115       18.37202 
1 1 1 -3  11 32 o 141.7207 9.774501 594.5506       80.74397 559.8615       87.33504 798.6984       211.8673 137.3377 10.93315 161.4175 23.03260 -24.07976      25.49577 
1 1 1 -3  11 33 o 173.4851 11.61187 892.6538       117.4646 1032.321       142.0735 590.9256       208.8209 186.3512 13.08273 137.2351 26.90739 49.11609       29.91932 
1 1 1 -3  11 34 o 123.0798 13.89011 454.6582       98.51412 425.6318       110.3729 568.3790       218.4668 118.5116 16.31227 133.7511 28.70959 -15.23951      33.02016 
1 1 1 -3  11 35 o 299.2077 6.983228 2633.514       122.5405 2678.789       166.1128 2579.460       181.5052 301.2371 9.414075 295.3543 10.49509 5.882751       14.09864 
1 1 1 -3  11 36 f 270.8900 7.084606 2161.369       112.4569 2027.018       146.0752 2356.860       176.2049 261.8586 9.527605 282.1058 10.66937 -20.24722      14.30422 
1 1 1 -3  11 37 o 81.66626 17.19924 207.4735       79.76955 201.0947       108.5799 214.9536       117.5790 79.96313 22.31087 82.58135 23.28030 -2.618217      32.24511 
1 1 1 -3  11 38 o 73.34026 19.15753 168.8963       83.28808 278.8922       114.2672 44.21964       121.6538 93.88010 21.25057 56.70069 23.14422 37.17941       31.42040 
1 1 1 -3  11 39 o 62.94654 20.79550 117.4578       89.20090 77.35222       131.7820 151.3709       121.1818 62.16929 24.52491 71.47930 24.24801 -9.310009      34.48822 
1 1 1 -3  11 40 o 35.73040 16.52216 -61.48193      81.48888 -76.03966      121.3391 -49.52192      109.9815 44.37856 20.39096 44.02039 19.90938 0.3581734      28.49868 
1 1 1 -3  11 41 o 102.8667 14.41174 326.0433       84.56232 334.1682       120.5523 318.1730       118.6488 101.6938 20.91175 99.11494 21.06156 2.578865       29.67980 
1 1 1 -3  11 42 o 40.52567 17.79280 -11.88224      81.32786 -77.90652      127.7534 33.10722       105.4571 45.06180 20.78374 51.18540 21.28513 -6.123604      29.74930 
1 1 1 -3  11 43 o 47.02949 19.30142 32.61766       85.18684 6.972831       124.9821 54.86843       116.4181 51.60258 22.36522 55.46655 22.64061 -3.863972      31.82452 
1 1 1 -3  11 44 o 153.3255 10.98776 711.7347       98.14886 554.9158       135.1403 886.7894       142.7817 131.8548 17.94079 169.3270 14.51789 -37.47218      23.07902 
1 1 1 -3  11 45 o 44.98056 19.35930 9.079580       92.36251 -87.84524      131.0100 104.8598       130.2341 44.26218 20.63138 62.66280 24.48170 -18.40062      32.01574 
1 1 1 -3  11 46 o 49.69775 20.49671 41.87325       96.68111 -132.0341      136.4703 217.0991       136.9867 42.31406 20.12572 78.49438 25.76286 -36.18033      32.69205 
1 1 1 -3  11 47 o 90.32719 20.99616 279.9149       109.1080 249.9614       159.3023 306.3820       149.7449 82.27350 27.80224 91.10629 26.46361 -8.832787      38.38342 
1 1 1 -3  11 48 o 43.37674 19.44970 -19.68296      102.4153 9.091105       151.7649 -43.74350      138.7789 54.20470 24.02955 48.05119 21.97701 6.153515       32.56391 
1 1 1 -3  11 49 o 57.80251 22.25997 97.15986       106.4940 297.3231       160.2828 -61.03579      142.4925 87.61703 27.79115 47.15759 21.82093 40.45945       35.33413 
1 1 1 -3  11 50 o 126.0469 15.24933 510.4265       110.4394 430.7645       155.3660 591.7902       157.0168 108.0416 25.01366 130.9298 21.17043 -22.88818      32.76996 
1 1 1 -3  12 1  o 255.9537 6.052461 1922.477       90.85396 1919.211       125.5991 1926.061       131.5835 255.5127 8.392920 255.9390 8.779259 -0.4262848     12.14564 
1 1 1 -3  12 2  o 293.7737 6.352828 2532.742       109.4537 2575.829       154.7041 2489.559       154.8779 296.0141 8.921436 290.9968 9.086220 5.017334       12.73387 
1 1 1 -3  12 3  o 241.1300 5.897274 1706.129       83.39752 1748.829       117.3379 1662.538       118.5553 243.9149 8.214280 237.7923 8.514798 6.122620       11.83115 
1 1 1 -3  12 4  o 449.0444 8.360337 5920.439       220.1728 5927.552       310.2732 5913.225       312.4812 448.8766 11.79623 448.3213 11.89509 0.5553284      16.75244 
1 1 1 -3  12 5  o 615.0701 10.85559 11115.63       391.5871 11532.87       579.1810 10764.30       531.4661 625.6162 15.79805 604.7277 14.98529 20.88849       21.77469 
1 1 1 -3  12 6  o 117.5992 6.771226 407.1656       46.50313 530.5469       66.74575 290.7764       64.82693 134.1639 8.526886 98.83014 11.39272 35.33377       14.23031 
1 1 1 -3  12 7  o 312.2618 6.264813 2860.854       114.7301 3203.492       191.1789 2668.001       143.4287 330.1507 9.884769 301.3880 8.121861 28.76270       12.79349 
1 1 1 -3  12 8  o 679.0560 10.63490 13540.80       423.5352 14122.05       706.0360 13214.05       529.3582 692.4438 17.39947 670.5287 13.46114 21.91510       21.99872 
1 1 1 -3  12 9  o 42.56288 14.77773 47.59895       45.08164 12.73751       60.67757 90.55411       67.35397 39.37627 16.23862 56.20952 18.03601 -16.83325      24.26913 
1 1 1 -3  12 10 o 270.9823 5.665562 2154.010       90.03979 2135.011       125.4098 2174.222       129.3527 269.6246 7.939532 272.0822 8.115410 -2.457611      11.35324 
1 1 1 -3  12 11 o 1325.931 17.90912 51718.43       1392.662 51933.16       1991.072 51512.77       1948.656 1326.485 25.59377 1321.253 25.14772 5.232178       35.88104 
1 1 1 -3  12 12 o 483.5602 7.255569 6860.375       205.7655 6976.919       298.3452 6754.646       284.1651 487.5146 10.43472 479.7024 10.10063 7.812286       14.52261 
1 1 1 -3  12 13 o 488.9425 7.387899 7014.175       211.8504 7069.470       303.7480 6961.799       295.6207 490.7247 10.55419 486.9839 10.35070 3.740784       14.78269 
1 1 1 -3  12 14 o 469.0378 9.090171 6456.762       250.0520 6338.307       341.4248 6593.806       367.2384 464.3636 12.54829 473.5744 13.23535 -9.210815      18.23826 
1 1 1 -3  12 15 o 938.8205 12.87416 25892.85       708.8461 25904.49       1007.472 25881.44       997.5216 938.1552 18.31082 937.7704 18.13741 0.3848267      25.77308 
1 1 1 -3  12 16 o 635.0980 11.62261 11846.39       432.9073 12061.70       622.0461 11644.17       602.8519 640.1093 16.58379 628.9581 16.35713 11.15118       23.29330 
1 1 1 -3  12 17 f 576.7870 8.589179 9764.564       290.5478 10284.26       436.0688 9349.651       389.6343 591.6255 12.56775 564.1705 11.77596 27.45502       17.22270 
1 1 1 -3  12 18 o 949.9850 13.02882 26524.91       725.8928 26687.94       1041.109 26370.69       1012.619 951.7522 18.65184 946.1735 18.24840 5.578735       26.09397 
1 1 1 -3  12 19 o 494.7906 7.621319 7185.314       221.1577 7217.614       315.4397 7154.087       310.1559 495.6776 10.85092 493.5022 10.71619 2.175354       15.25055 
1 1 1 -3  12 20 o 212.7984 7.825593 1331.098       97.49800 1412.173       123.2749 1195.670       159.3244 219.0607 9.618772 201.1472 13.58542 17.91350       16.64585 
1 1 1 -3  12 21 o 594.9097 8.677381 10394.10       302.7542 10341.30       428.3755 10446.79       427.9431 592.9371 12.31872 595.9647 12.24376 -3.027588      17.36838 
1 1 1 -3  12 22 o 574.7366 8.396385 9702.211       283.0164 9722.728       401.5687 9681.962       398.9356 574.8671 11.91083 573.6691 11.85744 1.197998       16.80674 
1 1 1 -3  12 23 o 69.21368 13.27664 145.8498       51.93289 115.0690       79.97527 168.2926       68.28966 62.60941 19.60061 74.07861 16.17315 -11.46920      25.41170 
1 1 1 -3  12 24 o 598.3832 8.589374 10523.90       301.4334 10613.29       430.5114 10437.92       422.1927 600.2125 12.23007 595.2636 12.09347 4.948914       17.19961 
1 1 1 -3  12 25 o 368.2109 7.219460 3983.069       155.9021 3966.760       194.1496 4012.676       261.5896 367.2666 9.013732 368.7631 12.11189 -1.496521      15.09786 
1 1 1 -3  12 26 o 37.22861 15.00673 18.27215       50.41061 23.23821       53.84488 -16.97486      143.4497 39.16781 15.60417 55.20855 23.94423 -16.04073      28.58000 
1 1 1 -3  12 27 o 566.0400 7.753144 9420.115       257.3804 9530.515       304.4078 9143.300       482.0248 569.0605 9.121092 555.5428 14.80774 13.51770       17.39148 
1 1 1 -3  12 28 o 410.2638 6.374445 4945.290       153.3755 5006.586       178.4897 4772.281       299.8673 412.6628 7.375091 401.6579 12.74596 11.00497       14.72587 
1 1 1 -3  12 29 o 210.5202 6.375106 1303.446       78.61964 1325.607       86.93166 1203.903       184.2424 212.2405 6.993468 200.7701 15.77391 11.47038       17.25470 
1 1 1 -3  12 30 o 299.2283 5.916556 2630.262       103.8298 2619.017       115.8492 2676.174       234.0889 298.5213 6.617088 300.4570 13.31768 -1.935669      14.87099 
1 1 1 -3  12 31 o 46.07809 17.96644 39.27165       70.02701 94.62060       74.97854 -338.7498      195.9479 57.60783 19.06707 46.23203 22.51038 11.37579       29.50035 
1 1 1 -3  12 32 o 304.2542 6.739988 2720.782       120.2669 2707.840       134.2151 2773.521       270.9320 303.4417 7.541810 305.4001 15.17410 -1.958435      16.94497 
1 1 1 -3  12 33 o 219.1572 7.247628 1413.955       93.02599 1465.692       102.6962 1177.400       219.5942 223.0585 7.862574 197.5447 19.19592 25.51378       20.74376 
1 1 1 -3  12 34 o 57.72134 19.18366 95.16789       75.87782 120.7774       80.78000 -96.82722      221.1812 63.47535 19.67209 62.69376 28.30585 0.7815933      34.47046 
1 1 1 -3  12 35 o 139.3380 10.17047 576.3662       82.53914 630.8031       88.95971 239.5614       221.2768 145.7500 10.47711 91.79028 32.66859 53.95972       34.30753 
1 1 1 -3  12 36 o 96.93455 14.24580 285.5365       78.57303 440.8918       108.5131 114.3067       113.9223 120.5058 15.72913 65.42002 23.42301 55.08573       28.21423 
1 1 1 -3  12 37 f 50.08572 19.16875 53.70564       78.63474 80.79896       110.3861 25.79184       112.0451 59.75710 22.74999 52.75723 21.93943 6.999863       31.60539 
1 1 1 -3  12 38 o 168.3163 9.646515 840.8221       94.82533 1002.716       130.7712 661.3077       137.7038 183.2179 12.24030 147.5205 16.18159 35.69739       20.28963 
1 1 1 -3  12 39 o 121.9061 12.47040 447.7284       87.90232 431.6029       125.1871 463.4111       123.4562 117.7396 18.75840 122.4556 17.70351 -4.716034      25.79325 
1 1 1 -3  12 40 o 36.96996 16.88529 -47.97072      81.55003 -73.98495      119.7532 -25.47453      111.3618 44.08443 20.25634 46.45476 20.58943 -2.370331      28.88329 
1 1 1 -3  12 41 o 119.9674 12.67607 437.8262       87.83923 347.3918       125.1576 525.6102       123.3099 103.3557 21.35449 130.0242 16.54465 -26.66853      27.01370 
1 1 1 -3  12 42 o 150.4118 10.42598 680.2177       91.40147 616.0283       132.4196 738.6285       126.3185 140.5895 16.36573 155.2583 14.02376 -14.66879      21.55233 
1 1 1 -3  12 43 o 112.3402 14.17407 390.9218       91.31104 434.1805       133.1034 352.4651       125.4985 115.4320 20.40763 103.2360 21.43017 12.19599       29.59263 
1 1 1 -3  12 44 o 88.46523 18.52504 255.8386       93.02708 219.2823       131.1633 292.8408       131.9606 79.82495 25.11720 92.00295 24.15380 -12.17800      34.84652 
1 1 1 -3  12 45 o 42.06762 18.75538 -19.70242      93.79637 -162.9816      131.5980 128.2428       133.7237 39.76122 19.13735 65.92602 25.05358 -26.16479      31.52649 
1 1 1 -3  12 46 o 173.6500 10.90282 917.6270       110.4757 874.8615       159.5797 956.9872       153.0946 165.6186 16.65516 174.4956 15.10848 -8.876984      22.48690 
1 1 1 -3  12 47 o 141.9995 13.50010 629.5188       111.0771 564.2788       159.6320 690.7576       154.6595 128.2935 22.00809 145.0371 18.61057 -16.74361      28.82203 
1 1 1 -3  12 48 o 78.47817 22.75900 218.8745       110.8347 264.6491       164.5070 180.8246       149.9855 83.34991 28.25225 72.13045 26.71493 11.21947       38.88287 
1 1 1 -3  12 49 o 48.46270 21.23411 10.99243       115.2982 227.2355       175.8867 -151.9476      152.6778 77.61703 28.89522 43.39338 20.81465 34.22364       35.61156 
1 1 1 -3  12 50 o 40.45417 18.97047 -78.57888      113.5572 -240.9747      170.2387 51.60473       152.4225 42.12994 20.61428 57.26895 24.75995 -15.13900      32.21806 
1 1 1 -3  13 1  o 343.3490 6.966164 3459.591       140.2749 3649.246       206.4706 3297.005       191.1691 352.3503 10.00168 334.9204 9.742885 17.42990       13.96271 
1 1 1 -3  13 2  o 335.3808 6.879232 3300.766       135.3096 3259.733       186.4887 3346.381       196.6270 333.0398 9.557739 337.4098 9.947394 -4.369965      13.79496 
1 1 1 -3  13 3  o 155.1807 5.635438 707.4136       51.20287 658.5943       63.44858 798.5760       86.70304 149.6306 7.251805 164.6791 9.011640 -15.04849      11.56712 
1 1 1 -3  13 4  o 871.0017 14.89464 22316.03       760.8511 22869.67       1111.657 21828.12       1043.578 880.2430 21.53366 860.1810 20.68638 20.06201       29.86009 
1 1 1 -3  13 5  f 1038.954 17.63312 31782.76       1074.425 32663.06       1576.796 31019.78       1467.967 1050.874 25.58436 1024.484 24.43208 26.38940       35.37635 
1 1 1 -3  13 6  o 192.8686 6.211760 1092.441       70.17135 1136.812       96.48141 1042.612       102.2436 196.6319 8.385666 188.2329 9.290394 8.398941       12.51522 
1 1 1 -3  13 7  o 306.9142 6.322133 2763.449       113.7971 2995.050       182.3272 2615.659       145.6481 319.2684 9.748865 298.4288 8.329880 20.83963       12.82292 
1 1 1 -3  13 8  o 494.4761 8.215453 7174.988       238.2470 7427.548       387.7943 7021.867       301.9521 502.6510 13.16614 489.0593 10.52752 13.59171       16.85752 
1 1 1 -3  13 9  o 312.4898 6.438805 2864.663       118.0026 3034.005       187.0527 2752.718       152.0842 321.3477 9.937122 306.1592 8.478219 15.18842       13.06241 
1 1 1 -3  13 10 o 208.0317 6.274702 1270.701       76.46743 1432.818       117.3012 1150.895       100.8388 220.7710 9.078988 197.8449 8.712008 22.92610       12.58281 
1 1 1 -3  13 11 o 736.9713 10.29513 15943.37       444.9724 15899.70       628.4221 15987.29       630.1533 735.5724 14.56718 737.5955 14.56725 -2.023132      20.60115 
1 1 1 -3  13 12 o 382.4428 7.932439 4291.737       177.9196 4298.121       247.2046 4284.876       256.2729 382.4538 11.03269 381.8326 11.45700 0.6212463      15.90544 
1 1 1 -3  13 13 o 213.4762 7.902471 1339.062       98.76718 1331.042       127.8975 1350.911       155.4570 212.6850 10.28404 214.1017 12.43405 -1.416656      16.13589 
1 1 1 -3  13 14 o 327.2635 8.306902 3145.042       159.3074 3160.296       221.0738 3128.564       229.7670 327.8450 11.51578 326.1524 12.03266 1.692535       16.65527 
1 1 1 -3  13 15 o 1014.789 13.61596 30262.89       810.3539 30590.00       1165.552 29956.83       1127.426 1019.103 19.50127 1008.601 19.05979 10.50244       27.26857 
1 1 1 -3  13 16 o 353.4430 7.081008 3665.480       146.7794 3679.017       213.2178 3653.286       202.3622 353.8235 10.28602 352.6185 9.794779 1.204956       14.20352 
1 1 1 -3  13 17 o 586.5516 8.661129 10098.83       297.9417 9968.130       416.2911 10236.08       426.6044 582.4563 12.18662 590.2194 12.32427 -7.763123      17.33209 
1 1 1 -3  13 18 o 493.9357 7.637212 7160.389       221.2360 7177.394       314.1430 7143.656       311.6221 494.3056 10.83631 493.1473 10.77460 1.158295       15.28128 
1 1 1 -3  13 19 o 493.1062 7.693905 7137.398       222.5040 7139.745       316.7061 7135.110       312.6690 492.9318 10.95517 492.7842 10.81876 0.1475525      15.39680 
1 1 1 -3  13 20 o 265.5253 7.649814 2071.524       119.0020 2204.827       151.8509 1859.348       191.5777 273.8022 9.470746 251.0527 13.05642 22.74947       16.12964 
1 1 1 -3  13 21 o 517.8569 7.833459 7874.763       237.9107 7874.396       335.1521 7875.135       337.7762 517.4938 11.04298 517.5070 11.12916 -0.1324463E-01 15.67819 
1 1 1 -3  13 22 o 184.9756 6.673394 1005.796       72.27689 1032.263       105.0245 981.9836       99.61949 187.1562 9.600404 182.5544 9.335681 4.601776       13.39114 
1 1 1 -3  13 23 o 290.0087 6.096480 2469.002       103.6909 2576.247       149.9537 2370.736       143.5387 295.9496 8.648784 283.8916 8.631190 12.05804       12.21879 
1 1 1 -3  13 24 o 173.1410 6.837492 881.8255       69.29350 801.9566       98.36486 960.5069       97.63085 164.7667 10.22980 180.4865 9.254313 -15.71979      13.79461 
1 1 1 -3  13 25 f 104.9731 12.54392 329.5947       75.69891 306.8766       89.31808 387.5204       142.6230 100.6794 15.63372 111.9805 22.49848 -11.30106      27.39698 
1 1 1 -3  13 26 o 381.1946 8.394823 4273.588       187.6760 4298.503       253.7692 4243.510       278.8245 381.6743 11.34954 378.9571 12.56293 2.717133       16.93043 
1 1 1 -3  13 27 o 228.0346 5.784537 1528.183       77.29816 1582.197       85.97939 1300.494       176.5264 231.9829 6.325479 209.0889 14.48508 22.89398       15.80599 
1 1 1 -3  13 28 o 150.4656 7.255467 667.1423       63.83682 690.0327       68.59348 519.0584       174.4656 152.9879 7.669416 129.3459 23.87832 23.64200       25.07975 
1 1 1 -3  13 29 o 274.5233 6.019553 2214.006       96.91568 2287.200       109.5137 1949.649       208.1259 278.9635 6.693763 256.2285 13.90202 22.73508       15.42960 
1 1 1 -3  13 30 o 96.78045 12.10298 280.9027       67.19817 291.0513       71.86900 210.3518       189.4916 98.42268 12.75009 86.71061 30.28530 11.71207       32.85976 
1 1 1 -3  13 31 o 171.9543 8.192989 871.9283       82.38625 877.2178       89.06290 840.5639       216.8725 172.3976 8.838264 165.6946 22.93151 6.703003       24.57578 
1 1 1 -3  13 32 o 294.3321 6.736220 2546.351       116.2798 2636.669       130.3603 2194.707       257.2229 299.4310 7.423316 271.2577 16.24317 28.17334       17.85907 
1 1 1 -3  13 33 o 57.11718 19.07012 92.56950       74.96543 149.1666       80.80082 -257.3541      200.9117 69.52244 19.18945 50.51705 24.13605 19.00539       30.83478 
1 1 1 -3  13 34 o 304.9181 9.233732 2743.614       164.9340 2581.523       205.8280 3034.435       275.7005 295.1453 11.91549 319.1527 14.76956 -24.00748      18.97680 
1 1 1 -3  13 35 o 263.0331 7.015629 2037.586       108.1284 2098.942       119.5460 1761.624       253.5302 266.8594 7.646276 241.6099 18.02205 25.24954       19.57703 
1 1 1 -3  13 36 o 170.5154 8.581799 859.8353       85.54491 885.9205       91.72308 685.5373       237.0978 173.0045 9.071749 145.9570 28.72155 27.04741       30.12016 
1 1 1 -3  13 37 o 298.0212 7.298704 2616.724       127.5685 2596.199       168.7061 2644.129       194.9428 296.1560 9.726336 298.4417 11.15739 -2.285706      14.80165 
1 1 1 -3  13 38 o 147.3531 10.67582 647.3380       91.63383 685.4039       126.8438 605.7875       132.5222 150.6183 14.54010 140.9680 16.33118 9.650269       21.86600 
1 1 1 -3  13 39 o 137.3403 11.09136 564.8597       88.57810 550.9868       124.0149 579.3082       126.5607 134.1165 16.08739 137.6004 15.97983 -3.483932      22.67507 
1 1 1 -3  13 40 f 159.6161 9.684265 760.2595       90.22890 678.8663       123.7598 852.6110       131.8279 149.2563 14.31349 167.7340 13.51528 -18.47774      19.68601 
1 1 1 -3  13 41 o 89.93035 16.58803 255.4601       84.26620 172.9276       122.4780 329.6424       116.1171 73.56769 24.37012 100.8910 20.32760 -27.32333      31.73506 
1 1 1 -3  13 42 f 119.3420 12.88611 435.8531       88.76308 432.2350       127.6309 439.2423       123.5294 115.8964 19.46686 117.2996 18.57458 -1.403107      26.90676 
1 1 1 -3  13 43 o 221.5992 8.352079 1464.091       108.3516 1500.303       147.7905 1422.007       159.3232 222.7882 11.34845 216.1178 12.62505 6.670380       16.97585 
1 1 1 -3  13 44 o 42.23031 18.62909 -11.21720      90.13413 -88.85260      127.5706 66.17127       127.3675 43.57451 20.32678 57.69360 23.63094 -14.11908      31.17049 
1 1 1 -3  13 45 o 52.82040 20.93250 64.17414       96.40642 167.1262       141.9649 -23.93560      131.3335 71.49140 26.07234 49.03628 22.00329 22.45512       34.11615 
1 1 1 -3  13 46 o 203.8581 9.705122 1255.267       115.6993 1278.783       163.5795 1231.726       163.6675 202.7541 13.83950 198.7303 14.13487 4.023788       19.78197 
1 1 1 -3  13 47 o 50.72453 21.24200 41.61636       106.1220 189.0451       161.5168 -70.37243      140.7712 73.76751 27.64391 46.55189 21.59208 27.21562       35.07711 
1 1 1 -3  13 48 o 62.05342 22.97184 122.3984       110.8768 194.5170       170.6119 69.67082       145.8830 74.18550 28.27357 58.79815 24.78131 15.38735       37.59665 
1 1 1 -3  13 49 o 104.4686 21.43936 381.3044       126.9493 476.8157       197.3226 313.8520       165.8244 108.7489 29.97640 89.27964 28.26122 19.46925       41.19807 
1 1 1 -3  13 50 o 42.79984 19.82234 -57.21459      117.9802 -56.32677      181.1262 -57.86887      155.4907 52.70449 24.46181 49.05057 22.73089 3.653923       33.39272 
1 1 1 -3  14 1  o 240.0981 6.089456 1692.286       85.67756 1720.910       117.3860 1659.654       125.3372 242.0099 8.282722 237.6139 9.010425 4.395935       12.23892 
1 1 1 -3  14 2  o 576.5344 10.28615 9759.428       347.7992 10101.63       511.4621 9465.079       474.3560 585.9582 14.89528 567.2617 14.26971 18.69647       20.62751 
1 1 1 -3  14 3  o 682.6942 11.91689 13689.76       477.1330 14212.22       707.0142 13252.81       646.5662 694.9532 17.34690 671.2089 16.42498 23.74438       23.88922 
1 1 1 -3  14 4  o 227.8188 5.611138 1522.489       74.97063 1488.852       92.56190 1586.640       127.8278 225.1564 7.018239 232.3048 9.401881 -7.148407      11.73248 
1 1 1 -3  14 5  f 432.6989 8.256113 5494.281       209.5134 5463.438       291.2781 5527.346       301.5841 431.1790 11.52895 433.6676 11.86887 -2.488617      16.54650 
1 1 1 -3  14 6  o 498.5497 9.199696 7294.907       268.9877 7411.232       386.1991 7185.310       374.8661 502.1096 13.12607 494.4093 12.93935 7.700256       18.43151 
1 1 1 -3  14 7  o 394.7117 7.138846 4570.908       165.2565 4802.755       267.1867 4427.265       210.3088 404.2869 11.27975 388.3934 9.232835 15.89349       14.57662 
1 1 1 -3  14 8  o 242.4150 6.309661 1725.062       89.62861 1762.639       130.4740 1691.484       123.3351 244.9032 9.099863 239.9208 8.780138 4.982437       12.64509 
1 1 1 -3  14 9  o 323.3612 6.611646 3067.500       125.3857 3022.841       186.8877 3104.057       169.0895 320.7574 9.946694 325.1051 8.876651 -4.347687      13.33160 
1 1 1 -3  14 10 o 256.9344 6.465101 1937.860       97.34258 2056.644       145.7543 1842.221       130.7854 264.5464 9.409384 250.3869 8.920551 14.15941       12.96583 
1 1 1 -3  14 11 o 117.8012 9.943840 410.2403       68.05869 378.8162       92.37017 447.5599       100.6627 112.6423 14.30449 122.5911 14.26727 -9.948875      20.20331 
1 1 1 -3  14 12 o 750.7033 10.41748 16544.89       458.6499 16649.38       652.2048 16442.66       645.1113 752.6263 14.77590 747.9474 14.70663 4.678894       20.84735 
1 1 1 -3  14 13 o 59.56687 21.81216 83.70242       99.51252 98.90850       127.7027 60.19321       158.7853 66.22237 24.62738 66.39227 26.67867 -0.1698990     36.30785 
1 1 1 -3  14 14 o 387.2513 8.980218 4401.678       203.9531 4209.219       268.2395 4665.408       314.0030 378.3516 12.10419 398.2222 13.46427 -19.87064      18.10519 
1 1 1 -3  14 15 o 614.4167 9.269782 11081.89       334.0281 10977.84       466.6057 11191.27       478.3889 611.2058 13.01703 617.0984 13.21832 -5.892578      18.55174 
1 1 1 -3  14 16 f 458.1618 8.243299 6161.057       221.4983 6177.882       279.1835 6132.475       363.8707 458.6645 10.37873 456.5375 13.60520 2.126984       17.11197 
1 1 1 -3  14 17 o 399.8020 7.051974 4690.598       165.3508 4658.729       233.0300 4722.916       234.6611 398.1704 9.987003 401.0300 9.977316 -2.859589      14.11691 
1 1 1 -3  14 18 o 238.8718 6.796828 1675.860       95.12175 1605.730       135.2704 1744.460       133.7868 233.6048 9.895903 243.5446 9.384208 -9.939835      13.63790 
1 1 1 -3  14 19 f 351.9554 8.380459 3637.331       172.9840 3712.420       380.8473 3617.813       194.1687 354.1897 18.39736 350.8194 9.445838 3.370300       20.68059 
1 1 1 -3  14 20 o 264.5962 6.387246 2054.827       99.11689 2068.214       144.6548 2042.980       136.0825 265.1607 9.316410 263.5793 8.815600 1.581390       12.82616 
1 1 1 -3  14 21 o 343.4277 6.407213 3462.064       129.0491 3411.456       178.8555 3517.021       186.3832 340.6251 8.960919 345.8341 9.197592 -5.209015      12.84110 
1 1 1 -3  14 22 o 269.2253 6.075089 2127.701       95.92216 2150.933       136.5030 2105.039       134.8214 270.4102 8.618340 267.5082 8.604719 2.901978       12.17855 
1 1 1 -3  14 23 o 540.8815 8.019644 8596.816       254.3945 8822.672       370.8587 8396.092       349.6166 547.3229 11.55352 534.0044 11.16341 13.31848       16.06566 
1 1 1 -3  14 24 o 129.0258 8.493176 491.5695       63.91096 442.2157       95.78475 531.1741       85.80415 121.6373 13.66296 133.8420 11.02892 -12.20471      17.55886 
1 1 1 -3  14 25 o 81.64187 18.29000 205.7629       85.39697 277.0262       106.7147 78.86468       142.4030 94.73250 19.84428 65.25132 25.56853 29.48118       32.36581 
1 1 1 -3  14 26 o 243.0099 7.344232 1737.439       104.5496 1881.125       130.0701 1475.135       175.7408 252.6905 8.790223 222.9811 13.50187 29.70947       16.11113 
1 1 1 -3  14 27 o 236.0672 5.910741 1637.932       81.76857 1661.003       90.11073 1530.352       194.5862 237.6707 6.470749 226.8018 14.70833 10.86890       16.06878 
1 1 1 -3  14 28 o 469.5725 6.939538 6481.614       191.1101 6429.760       219.1348 6646.344       390.5740 467.5049 7.992352 473.5085 14.08016 -6.003601      16.19039 
1 1 1 -3  14 29 o 374.6245 6.361953 4123.893       139.7775 4253.561       161.8533 3743.426       277.2442 380.3510 7.255821 355.4468 13.32314 24.90417       15.17080 
1 1 1 -3  14 30 o 190.8167 7.457391 1072.319       83.29459 1075.312       90.73815 1056.288       209.9910 191.0074 8.118595 187.0797 19.42145 3.927689       21.05005 
1 1 1 -3  14 31 o 373.8669 6.743205 4108.255       147.8543 4124.057       166.9167 4050.683       318.6016 374.4686 7.600353 369.3493 14.73781 5.119263       16.58217 
1 1 1 -3  14 32 o 222.6732 7.253994 1459.644       94.60537 1509.845       104.0910 1221.256       226.8298 226.3993 7.851372 201.1441 19.47158 25.25516       20.99492 
1 1 1 -3  14 33 o 133.0004 10.38516 525.1931       80.36411 581.0450       86.68645 183.6567       214.3635 139.8920 10.64588 85.43368 31.88102 54.45829       33.61152 
1 1 1 -3  14 34 o 351.7030 6.723372 3638.378       138.6800 3648.457       157.0147 3602.625       295.7298 352.0388 7.605000 347.7262 14.53335 4.312653       16.40287 
1 1 1 -3  14 35 o 138.9688 10.58213 574.4138       85.59790 540.8808       92.51572 773.8171       225.6033 134.5842 11.84180 156.8975 25.38409 -22.31335      28.01036 
1 1 1 -3  14 36 o 308.0042 6.750404 2792.563       121.9374 2764.335       134.0432 2928.004       293.6168 306.3133 7.461541 312.2079 16.08992 -5.894623      17.73584 
1 1 1 -3  14 37 o 281.7732 7.146825 2340.814       118.0083 2371.263       128.7297 2180.521       295.3579 283.4669 7.750568 267.6308 18.93985 15.83618       20.46434 
1 1 1 -3  14 38 o 74.51809 19.92407 175.7816       88.75574 53.22815       128.3075 288.2333       122.9058 58.62577 23.82900 94.79780 22.45446 -36.17202      32.74178 
1 1 1 -3  14 39 o 144.8295 10.71687 627.7719       90.38319 591.4258       132.0421 659.8154       123.9807 138.6221 16.56939 147.2803 14.54314 -8.658218      22.04648 
1 1 1 -3  14 40 o 138.8802 10.87156 579.7581       87.84358 499.1541       123.3507 662.7010       125.1275 126.5405 17.05499 147.1148 14.69920 -20.57436      22.51531 
1 1 1 -3  14 41 o 51.33141 19.58834 63.12971       81.95885 35.16248       118.0570 89.14878       113.8709 53.63158 22.42819 59.89060 23.03001 -6.259018      32.14662 
1 1 1 -3  14 42 o 173.8346 9.613375 905.4973       97.62662 944.3341       134.8384 862.7074       141.5346 175.9152 13.16501 167.3720 14.56367 8.543198       19.63207 
1 1 1 -3  14 43 o 71.55138 20.95933 169.8566       93.58212 -33.08676      140.2798 332.6007       125.6205 50.37283 22.66033 99.44460 22.11133 -49.07177      31.66072 
1 1 1 -3  14 44 o 224.5119 8.888837 1510.362       116.8088 1456.522       168.9004 1559.722       161.7188 217.6172 13.29735 226.0115 12.24629 -8.394348      18.07737 
1 1 1 -3  14 45 f 116.9057 14.42286 429.1574       96.79227 447.0215       144.2266 414.5182       130.5612 114.4711 22.28513 111.1279 20.79697 3.343170       30.48182 
1 1 1 -3  14 46 o 79.28682 21.76029 218.3858       104.2361 181.2708       154.5820 249.3335       141.1555 73.00328 27.10573 82.69315 26.06133 -9.689873      37.60204 
1 1 1 -3  14 47 o 129.3022 15.51055 534.4157       115.2759 335.3718       173.5521 691.5586       154.2066 92.90396 28.84151 144.8268 18.58298 -51.92288      34.30976 
1 1 1 -3  14 48 o 105.2053 19.55990 375.2673       116.2444 392.9796       195.5755 365.5918       144.5483 98.08607 30.64303 99.76181 24.80966 -1.675743      39.42733 
1 1 1 -3  14 49 o 99.42722 22.20831 350.7324       126.2279 482.3480       204.7944 270.0974       160.2973 108.3313 30.78764 83.30470 27.88730 25.02661       41.54010 
1 1 1 -3  15 1  o 525.4880 9.545504 8105.030       294.1794 8229.982       422.1917 7987.113       410.1350 529.0917 13.61725 521.2399 13.42766 7.851868       19.12411 
1 1 1 -3  15 2  o 693.5811 12.10473 14127.55       492.3827 14017.81       687.6622 14243.01       705.3430 690.3806 16.98385 695.8674 17.28317 -5.486816      24.23137 
1 1 1 -3  15 3  o 867.4601 14.84926 22115.04       755.4487 22802.59       1112.029 21525.79       1029.472 879.7580 21.55273 854.9579 20.53144 24.80011       29.76677 
1 1 1 -3  15 4  o 570.0568 10.23120 9539.136       342.0543 9670.353       489.9148 9414.333       477.7889 573.4727 14.57839 565.8437 14.40929 7.629028       20.49773 
1 1 1 -3  15 5  o 360.7916 7.476202 3819.216       158.1933 3803.984       217.3694 3836.368       230.6599 359.8343 10.31082 361.3246 10.89734 -1.490295      15.00217 
1 1 1 -3  15 6  o 674.5660 11.84334 13361.99       468.5428 13509.22       669.7169 13220.85       655.7433 677.7919 16.84784 670.5380 16.67477 7.253967       23.70438 
1 1 1 -3  15 7  o 495.1805 8.399678 7195.354       243.9365 7297.285       382.5097 7125.482       316.6924 498.2542 13.10141 492.6491 10.96098 5.605133       17.08186 
1 1 1 -3  15 8  o 605.7228 9.672238 10769.06       343.5987 10717.75       537.9727 10804.42       446.5436 603.6694 15.20745 606.5206 12.55359 -2.851257      19.71951 
1 1 1 -3  15 9  o 167.1657 7.575259 821.6010       74.07388 832.8505       100.2798 808.0917       109.8913 168.1287 10.21825 165.5039 11.39099 2.624817       15.30252 
1 1 1 -3  15 10 o 522.6593 8.886148 8017.184       272.3847 8221.905       434.8733 7885.015       349.4180 528.7744 14.03544 518.1868 11.49763 10.58759       18.14357 
1 1 1 -3  15 11 o 662.1207 10.51840 12871.28       408.4486 12964.03       652.7999 12811.62       523.6024 663.6696 16.78519 660.3232 13.52056 3.346436       21.55338 
1 1 1 -3  15 12 o 226.1057 9.472808 1503.301       125.3365 1557.025       167.3223 1434.616       189.1906 229.8908 12.45682 220.4271 14.71906 9.463699       19.28271 
1 1 1 -3  15 13 o 517.7766 8.123267 7867.718       246.6742 8081.084       356.6598 7672.068       341.5317 524.5355 11.59388 511.1028 11.39390 13.43274       16.25542 
1 1 1 -3  15 14 o 202.3648 10.17635 1205.464       120.3875 1347.873       157.8555 1007.487       186.1224 213.8061 12.64542 184.1876 17.43775 29.61852       21.54023 
1 1 1 -3  15 15 o 446.3333 7.541214 5846.213       197.4018 5809.605       277.2227 5883.867       281.1553 444.7642 10.62792 447.5924 10.71058 -2.828186      15.08872 
1 1 1 -3  15 16 o 69.56585 21.09871 143.5632       93.55653 205.3507       113.0789 9.499378       166.5662 82.13760 22.71246 62.52223 26.42203 19.61537       34.84221 
1 1 1 -3  15 17 o 703.4523 9.946705 14534.93       410.3594 14277.00       570.8121 14810.82       590.3527 696.6191 13.97164 709.4868 14.18786 -12.86761      19.91236 
1 1 1 -3  15 18 o 208.4999 7.146753 1277.513       87.26150 1163.701       125.8943 1382.753       121.0604 198.6921 10.84488 216.7529 9.546699 -18.06076      14.44821 
1 1 1 -3  15 19 o 451.8630 7.321492 5994.286       194.0246 6146.777       280.6682 5854.711       268.5193 457.2982 10.46510 446.3223 10.25832 10.97589       14.65440 
1 1 1 -3  15 20 o 222.8424 6.583416 1458.995       85.94553 1409.001       121.4983 1509.066       121.5924 218.7571 9.492763 226.4350 9.175139 -7.677963      13.20211 
1 1 1 -3  15 21 o 383.8166 6.660573 4325.207       149.9291 4452.201       217.2084 4209.637       207.2084 389.1592 9.516970 378.4277 9.336280 10.73151       13.33187 
1 1 1 -3  15 22 o 395.7899 6.771843 4600.277       157.1890 4845.405       232.1329 4392.693       213.6171 405.8801 9.751882 386.4929 9.424191 19.38718       13.56151 
1 1 1 -3  15 23 o 200.6841 8.668943 1186.359       101.7898 1267.537       131.8097 1066.419       160.2178 207.1860 10.88586 189.4424 14.53154 17.74359       18.15675 
1 1 1 -3  15 24 o 243.9246 6.322838 1748.666       90.37574 1952.835       134.8160 1582.031       121.7948 257.5014 8.940682 231.7315 8.978749 25.76987       12.67098 
1 1 1 -3  15 25 o 184.0204 7.032168 996.5790       75.75406 1071.811       112.9551 935.0803       102.1264 190.4917 10.14726 177.9328 9.824721 12.55884       14.12417 
1 1 1 -3  15 26 o 110.5037 13.28597 366.1304       84.37838 390.5686       98.26509 297.5298       164.6375 113.8363 15.08996 97.60149 27.55942 16.23484       31.42019 
1 1 1 -3  15 27 o 284.6551 5.854844 2380.139       97.74280 2380.827       108.9179 2377.294       221.5284 284.6373 6.524646 283.1568 13.37770 1.480469       14.88402 
1 1 1 -3  15 28 o 332.0287 6.078936 3238.851       118.3733 3261.913       133.8726 3156.197       253.4410 333.1237 6.852290 326.3467 13.26948 6.777008       14.93429 
1 1 1 -3  15 29 o 296.0606 6.337538 2575.523       110.0403 2690.420       124.6920 2170.992       233.9697 302.5217 7.027996 270.2007 14.82140 32.32108       16.40325 
1 1 1 -3  15 30 o 425.9110 6.961498 5332.316       173.8890 5462.231       201.3341 4950.855       344.9947 430.9060 7.966805 408.5158 14.42231 22.39023       16.47644 
1 1 1 -3  15 31 o 249.0202 6.991802 1824.471       102.0103 1861.914       113.1826 1662.402       235.4723 251.4782 7.683132 235.7003 17.15187 15.77797       18.79408 
1 1 1 -3  15 32 o 94.53757 14.93039 271.6308       80.03522 309.8576       86.22932 33.86395       215.0537 101.0940 14.99788 71.33364 30.07764 29.76035       33.60953 
1 1 1 -3  15 33 o 227.5498 7.117242 1524.732       94.86464 1493.469       103.3446 1692.116       239.1302 225.1019 7.840098 237.3722 17.29595 -12.27037      18.98992 
1 1 1 -3  15 34 o 179.5554 8.734710 952.9136       91.70487 975.5117       98.93446 815.0240       244.3864 181.5784 9.321567 160.6713 26.88415 20.90703       28.45434 
1 1 1 -3  15 35 o 143.1720 15.27968 618.9639       126.3182 631.7868       148.6854 585.7002       239.4747 143.8741 18.01500 133.7844 31.11147 10.08968       35.95085 
1 1 1 -3  15 36 o 93.14857 16.18846 267.2701       85.22858 304.0067       91.07706 8.473416       241.7349 99.49587 16.16237 72.01694 31.15878 27.47893       35.10117 
1 1 1 -3  15 37 o 182.9431 9.071113 991.8986       97.02203 960.6212       103.9453 1203.508       270.3695 179.8479 9.892927 195.7715 24.05315 -15.92361      26.00815 
1 1 1 -3  15 38 o 25.84752 12.89649 -205.2002      79.32367 -181.3178      83.71422 -415.1303      248.1979 28.19386 13.92386 51.09427 24.97717 -22.90041      28.59603 
1 1 1 -3  15 39 o 161.1748 10.04124 775.8590       94.44359 741.8753       136.3820 807.1716       130.9126 155.8145 15.11408 163.1097 13.81501 -7.295242      20.47657 
1 1 1 -3  15 40 o 98.60336 15.25811 302.6479       85.38842 259.0948       127.1253 338.4501       115.2597 88.12925 23.96762 102.5113 19.88914 -14.38201      31.14522 
1 1 1 -3  15 41 o 104.9766 14.78909 342.6111       88.53068 339.3709       129.7205 345.4362       121.1237 101.0471 22.47050 102.7686 20.81089 -1.721519      30.62706 
1 1 1 -3  15 42 o 59.01417 20.78092 103.5956       89.33854 122.8231       135.3433 88.74884       118.9297 66.30102 25.20278 60.00485 23.40897 6.296169       34.39710 
1 1 1 -3  15 43 o 55.58223 20.73169 85.01504       90.62643 161.9443       134.9878 21.88594       122.2823 71.01894 25.48855 52.10164 22.34741 18.91730       33.89798 
1 1 1 -3  15 44 o 48.95576 20.03089 42.13561       91.39562 120.1792       139.0007 -17.30169      121.3048 65.25821 25.34997 47.86869 21.33622 17.38951       33.13390 
1 1 1 -3  15 45 o 42.32590 18.76037 -12.24909      92.46602 -36.17504      147.1416 3.365811       118.8695 50.47260 22.90756 49.07195 21.52904 1.400646       31.43654 
1 1 1 -3  15 46 o 58.01626 21.81419 98.96397       100.7564 212.7841       156.8292 18.96398       131.4808 76.91365 27.48865 52.31812 22.80435 24.59553       35.71645 
1 1 1 -3  15 47 o 87.79680 22.00669 271.2862       113.0819 323.4954       177.9544 235.9251       146.4529 90.72840 29.33526 79.74754 26.65514 10.98087       39.63653 
1 1 1 -3  15 48 o 102.0072 21.49396 363.9676       124.5236 404.5611       206.5553 340.7911       156.0743 98.20034 31.59193 94.24659 26.90759 3.953751       41.49781 
1 1 1 -3  15 49 o 81.84071 24.68382 249.4626       128.3032 298.3392       194.7136 211.9554       170.5703 85.32309 30.61351 75.36449 28.37295 9.958595       41.73980 
1 1 1 -3  16 1  o 261.1490 6.700656 2002.049       102.5409 1976.093       137.4864 2034.586       153.9329 259.3310 9.053601 263.0887 9.994690 -3.757690      13.48560 
1 1 1 -3  16 2  o 780.5751 13.49534 17899.06       617.8015 17898.78       871.8653 17899.34       875.5530 779.8727 19.06229 779.8732 19.14291 -0.4882813E-03 27.01522 
1 1 1 -3  16 3  o 598.3923 10.71032 10512.03       375.8712 10805.15       547.5773 10250.85       516.8749 606.1141 15.41676 590.4072 14.93937 15.70697       21.46768 
1 1 1 -3  16 4  f 207.6218 6.375219 1265.761       77.53607 1373.061       97.86311 1084.831       127.0785 216.1863 7.731078 191.8836 11.34293 24.30269       13.72704 
1 1 1 -3  16 5  o 307.2986 6.429044 2770.273       115.8664 2798.196       146.7088 2723.984       188.8917 308.6992 8.110478 304.4281 10.59596 4.271118       13.34370 
1 1 1 -3  16 6  o 620.2391 11.09956 11294.98       403.7528 11277.27       566.3182 11313.28       575.7848 619.1772 15.60779 620.1363 15.84449 -0.9590454     22.24075 
1 1 1 -3  16 7  o 1059.600 18.00287 33034.54       1118.753 32945.92       1574.089 33124.98       1590.347 1056.417 25.40642 1059.229 25.60068 -2.812622      36.06773 
1 1 1 -3  16 8  o 374.2602 7.530080 4109.891       165.2813 4252.921       253.9348 4004.757       217.7104 380.3989 11.39521 369.2180 10.06354 11.18088       15.20282 
1 1 1 -3  16 9  o 545.1079 10.21325 8723.307       326.5104 8688.366       453.8762 8760.783       470.0598 543.5363 14.25060 545.7479 14.69962 -2.211548      20.47336 
1 1 1 -3  16 10 o 592.9489 9.943765 10321.41       345.7949 10917.86       571.7220 9977.348       434.2225 609.0917 16.01876 582.7772 12.70455 26.31458       20.44520 
1 1 1 -3  16 11 o 537.4610 9.078697 8478.802       286.1680 8592.548       456.2219 8405.019       367.4411 540.4672 14.40601 534.9456 11.71191 5.521545       18.56615 
1 1 1 -3  16 12 o 95.00883 20.04544 275.9858       108.1765 234.6710       137.1294 344.0584       176.0207 88.09618 25.24424 105.9190 27.93876 -17.82285      37.65429 
1 1 1 -3  16 13 o 220.5012 9.681231 1430.232       124.8913 1384.692       165.1746 1491.023       190.8378 216.6715 13.05905 224.7143 14.55885 -8.042816      19.55758 
1 1 1 -3  16 14 o 512.8354 7.962873 7718.960       239.4960 8241.188       359.6259 7302.771       321.0451 529.6401 11.57763 498.6209 10.97855 31.01917       15.95525 
1 1 1 -3  16 15 f 155.3208 11.37293 712.5909       102.8801 697.0972       127.9035 740.9878       173.1566 153.2731 14.39729 157.3841 19.15372 -4.110977      23.96137 
1 1 1 -3  16 16 o 411.6542 8.836790 4975.852       213.3426 4839.727       283.4705 5153.683       323.9989 405.5869 11.93014 418.3921 13.22072 -12.80515      17.80774 
1 1 1 -3  16 17 o 190.9668 7.922632 1072.525       88.53880 939.7410       128.4656 1192.662       122.1952 178.3294 12.35972 201.1967 10.39098 -22.86734      16.14730 
1 1 1 -3  16 18 o 391.2027 8.456024 4494.671       194.0075 4562.003       235.4177 4352.155       342.4998 393.8521 10.20049 383.9850 15.23909 9.867096       18.33793 
1 1 1 -3  16 19 o 288.9845 6.460185 2451.382       109.4889 2599.572       161.7460 2326.049       148.7503 297.2859 9.288424 281.2197 9.030777 16.06619       12.95491 
1 1 1 -3  16 20 o 499.9284 7.696734 7340.888       225.6653 7404.187       323.7174 7281.047       314.7494 501.6501 11.00309 497.4934 10.78766 4.156738       15.40914 
1 1 1 -3  16 21 o 357.9189 6.496062 3761.530       136.3595 3887.411       201.3790 3654.942       185.3051 363.4681 9.455105 352.4869 8.971126 10.98117       13.03381 
1 1 1 -3  16 22 o 63.84880 15.86841 125.3347       59.16170 82.24462       96.80383 151.0243       74.74493 58.57304 21.50260 70.05479 18.07315 -11.48175      28.08915 
1 1 1 -3  16 23 o 419.8583 7.036309 5179.158       173.2599 5522.688       261.5692 4910.601       231.2715 433.0855 10.29823 408.4826 9.653795 24.60291       14.11557 
1 1 1 -3  16 24 o 590.2745 8.618122 10249.28       298.3439 10612.47       439.5424 9939.000       406.2639 599.6049 12.49928 580.4362 11.93447 19.16876       17.28189 
1 1 1 -3  16 25 o 36.72619 16.75337 -51.07124      79.96291 -6.654244      93.12835 -175.6994      155.9967 45.11316 19.42812 46.13564 21.81827 -1.022480      29.21453 
1 1 1 -3  16 26 o 49.77585 17.16777 67.04590       60.80107 1.115967       101.0017 104.5162       76.14312 47.87977 20.41742 59.80778 19.17533 -11.92801      28.01008 
1 1 1 -3  16 27 o 369.0730 7.858165 4006.893       170.0920 4303.046       219.5955 3562.740       268.9251 382.0114 9.809708 346.7722 13.24756 35.23920       16.48418 
1 1 1 -3  16 28 o 319.4703 6.331939 2998.935       118.6363 3073.874       134.8523 2742.343       249.5316 323.3513 7.111043 303.9751 14.03495 19.37616       15.73361 
1 1 1 -3  16 29 o 153.3548 9.190711 695.0126       82.28103 785.4414       89.41009 194.8328       210.2792 163.0333 9.390770 86.69781 31.71357 76.33546       33.07472 
1 1 1 -3  16 30 o 291.2633 6.909132 2493.774       118.0211 2490.600       131.1186 2507.322       270.9000 290.8920 7.692427 290.0894 15.98486 0.8025818      17.73948 
1 1 1 -3  16 31 o 321.4600 6.730936 3037.766       126.8975 2999.684       140.6072 3204.974       294.6320 319.3420 7.507598 328.1364 15.35255 -8.794373      17.08991 
1 1 1 -3  16 32 o 149.8449 8.987105 664.0129       78.61619 616.8939       83.58316 1025.488       231.5049 144.2716 9.939153 183.1252 21.99540 -38.85353      24.13678 
1 1 1 -3  16 33 o 471.0343 7.291588 6530.124       201.4305 6519.994       229.3906 6564.245       421.0010 470.4099 8.314739 469.0960 15.32336 1.313843       17.43388 
1 1 1 -3  16 34 o 271.8710 6.999589 2177.114       111.5128 2157.814       122.3780 2271.549       270.7083 270.5321 7.721087 274.8149 16.87760 -4.282806      18.55987 
1 1 1 -3  16 35 o 44.36309 18.49350 15.18401       79.89213 43.65785       84.26562 -237.9582      251.2520 49.56720 19.59323 59.23350 27.91425 -9.666302      34.10425 
1 1 1 -3  16 36 o 153.7176 10.28131 702.7851       92.15485 702.4674       98.09707 705.1717       268.8658 153.5346 10.96651 145.7261 32.30744 7.808487       34.11795 
1 1 1 -3  16 37 o 220.9609 8.369650 1444.628       108.2648 1410.436       116.3943 1664.068       294.8675 218.1441 9.117931 231.3283 21.99888 -13.18427      23.81360 
1 1 1 -3  16 38 o 119.7233 12.35969 433.0610       85.53741 448.4364       91.11542 318.8945       248.2835 121.6744 12.96819 98.60375 34.64972 23.07061       36.99698 
1 1 1 -3  16 39 o 87.77071 16.95755 243.3339       84.13020 266.1805       88.60792 34.26999       268.0415 91.85442 17.07673 74.15585 32.43671 17.69857       36.65726 
1 1 1 -3  16 40 o 117.6265 12.91696 422.6808       87.64349 362.4181       128.9516 474.4181       119.4825 105.1637 21.63034 122.9857 17.02107 -17.82198      27.52433 
1 1 1 -3  16 41 o 100.0888 15.85129 315.0382       89.95037 433.9787       130.4218 207.1361       124.2225 115.8029 19.92177 78.68178 24.39656 37.12113       31.49713 
1 1 1 -3  16 42 o 64.49070 20.83081 133.6532       89.74485 43.23920       126.2755 225.9322       127.5712 55.28731 23.16335 81.25649 24.63597 -25.96918      33.81526 
1 1 1 -3  16 43 o 201.4443 9.349027 1218.937       110.1504 1092.878       155.9924 1344.300       155.5608 187.7731 14.27200 209.4864 12.72172 -21.71329      19.11889 
1 1 1 -3  16 44 o 103.7299 16.43449 345.2891       96.65074 431.4642       149.8294 283.8743       126.4860 111.5200 23.64303 90.01298 23.65520 21.50703       33.44490 
1 1 1 -3  16 45 o 51.39056 20.86205 54.57107       98.20164 175.8797       153.8050 -28.91549      127.5947 72.39315 27.00682 47.58840 21.49122 24.80475       34.51435 
1 1 1 -3  16 46 o 135.1669 14.28927 576.2834       111.5613 696.9219       165.4420 475.6841       151.0777 144.1270 20.12026 116.5578 22.91805 27.56928       30.49691 
1 1 1 -3  16 47 o 45.49495 20.36513 -14.84387      111.7702 191.5861       181.0573 -141.9482      142.0725 74.02635 28.88200 42.19194 20.19576 31.83441       35.24257 
1 1 1 -3  16 48 o 98.40950 21.52695 340.1777       120.7777 426.9657       196.6224 287.5880       153.0571 101.9483 30.51376 86.28822 27.13012 15.66006       40.83054 
1 1 1 -3  16 49 o 73.23804 24.55319 197.2888       124.2543 226.5230       192.8775 176.5491       162.4568 76.80144 29.85373 70.69779 27.42144 6.103645       40.53616 
1 1 1 -3  17 1  o 511.9845 9.570083 7693.851       287.3578 7750.648       403.9822 7635.683       408.8318 513.4620 13.42692 509.6113 13.69143 3.850708       19.17648 
1 1 1 -3  17 2  o 462.9990 8.965564 6291.321       243.4491 6629.618       358.5862 6002.068       331.5760 474.9000 12.88672 451.8790 12.52361 23.02094       17.96965 
1 1 1 -3  17 3  o 279.2001 7.493165 2288.854       122.5854 2444.617       167.8727 2110.911       179.4274 288.4129 9.939495 267.8760 11.44740 20.53690       15.16036 
1 1 1 -3  17 4  o 167.6649 8.221174 826.9030       80.59358 889.7581       97.21530 688.7652       144.1187 173.8445 9.571994 152.1690 16.40800 21.67551       18.99594 
1 1 1 -3  17 5  o 91.98387 14.92002 255.0420       77.73296 266.4057       92.88120 228.4744       142.0183 93.65466 17.55499 87.35767 25.88109 6.296982       31.27313 
1 1 1 -3  17 6  o 275.1832 8.059293 2224.040       129.9276 2374.252       180.8037 2063.638       186.8354 284.1570 10.86926 264.7985 12.06244 19.35843       16.23709 
1 1 1 -3  17 7  o 698.8562 12.40792 14346.21       508.5542 15027.41       758.4996 13789.92       685.4448 714.3391 18.11971 684.6517 17.07073 29.68732       24.89445 
1 1 1 -3  17 8  o 609.7921 10.13610 10916.68       362.4958 11140.50       574.9257 10769.00       467.0242 615.2777 15.94616 605.4120 13.15339 9.865723       20.67104 
1 1 1 -3  17 9  o 466.5809 8.570492 6389.242       234.5218 6085.192       339.4639 6666.869       324.3780 454.9295 12.73581 476.4385 11.60898 -21.50900      17.23279 
1 1 1 -3  17 10 o 381.3384 8.020193 4267.598       179.3684 4091.373       257.2161 4434.417       250.2573 373.0278 11.77201 388.4308 10.99664 -15.40298      16.10920 
1 1 1 -3  17 11 o 724.9474 11.48027 15437.17       488.1005 15940.03       801.2453 15140.45       615.4850 735.4216 18.59204 717.5690 14.62525 17.85260       23.65506 
1 1 1 -3  17 12 o 400.7819 8.816245 4715.123       207.2250 4766.397       286.0581 4658.500       300.6036 402.5849 12.12947 397.9225 12.89791 4.662415       17.70537 
1 1 1 -3  17 13 o 179.1749 10.79309 946.3843       112.8900 913.1007       143.4343 1000.562       182.9988 175.6564 14.03997 183.5343 17.20169 -7.877960      22.20403 
1 1 1 -3  17 14 o 143.8109 12.99417 613.0079       108.4139 552.1495       138.6391 708.8002       173.9364 135.7301 17.84854 153.7609 19.74337 -18.03084      26.61524 
1 1 1 -3  17 15 o 484.6490 7.863040 6895.291       223.4953 7297.103       329.3058 6552.158       304.3118 498.2818 11.26870 472.1891 10.98885 26.09268       15.73971 
1 1 1 -3  17 16 o 266.0720 8.598718 2081.163       134.0024 2316.069       180.7090 1794.199       199.7318 280.4872 11.00677 246.5020 13.87177 33.98515       17.70806 
1 1 1 -3  17 17 o 240.5316 8.869500 1701.789       124.9043 1511.667       298.9889 1741.984       137.4751 224.6025 23.02366 243.2908 9.654078 -18.68835      24.96578 
1 1 1 -3  17 18 o 189.7847 7.131907 1059.004       79.23993 1063.787       112.9612 1054.370       111.1843 189.9531 10.17702 189.1197 10.06054 0.8334351      14.31036 
1 1 1 -3  17 19 o 570.4349 8.494528 9561.028       284.1815 9863.042       418.5039 9302.618       387.1157 578.7322 12.33023 562.1603 11.74168 16.57190       17.02650 
1 1 1 -3  17 20 o 339.8618 8.023392 3393.908       159.9230 3461.999       219.6360 3317.072       233.3137 342.7857 10.93923 335.3831 11.88051 7.402588       16.14971 
1 1 1 -3  17 21 o 197.9926 6.827369 1152.766       79.15942 1216.980       121.0983 1104.856       104.6015 203.0957 10.19950 193.5997 9.239273 9.496002       13.76205 
1 1 1 -3  17 22 o 412.4605 6.896460 4997.794       166.8242 5197.077       245.7950 4827.590       227.1561 420.1851 9.974287 405.0356 9.562702 15.14954       13.81780 
1 1 1 -3  17 23 o 36.80136 15.32623 8.685889       54.79198 -36.45435      95.07021 31.13688       67.04715 42.37235 18.88736 44.01914 17.45273 -1.646790      25.71634 
1 1 1 -3  17 24 o 113.8997 9.644748 384.7492       63.82135 337.8369       102.5783 414.3781       81.52118 105.3146 17.20119 117.8949 11.95542 -12.58027      20.94786 
1 1 1 -3  17 25 o 101.7210 11.43571 309.1239       67.04155 216.0825       108.5088 366.5696       85.26203 83.36427 21.91065 110.5320 13.42789 -27.16776      25.69795 
1 1 1 -3  17 26 o 185.9073 7.727552 1018.288       84.06999 973.5616       120.4800 1060.734       117.3669 181.2628 11.39088 189.3596 10.61081 -8.096771      15.56732 
1 1 1 -3  17 27 o 89.34167 20.50880 248.3020       105.1829 236.2704       125.9489 276.0351       191.2201 87.10555 23.92488 95.27648 30.37062 -8.170937      38.66232 
1 1 1 -3  17 28 o 54.13074 17.77760 83.84494       65.22416 121.4687       68.61733 -268.5923      210.0119 63.01245 17.79167 51.73436 24.70641 11.27809       30.44585 
1 1 1 -3  17 29 o 320.2065 6.656507 3013.390       125.0049 3027.223       138.2756 2951.524       292.4260 320.8621 7.348129 314.8651 15.88717 5.996979       17.50421 
1 1 1 -3  17 30 o 144.2591 9.542647 615.8550       80.28139 661.3580       85.49757 276.7086       233.4143 149.4787 9.806843 97.57943 33.63814 51.89927       35.03853 
1 1 1 -3  17 31 o 241.6848 6.991271 1719.221       98.99181 1764.506       107.8092 1475.850       249.9247 244.7792 7.518756 221.0805 19.47447 23.69868       20.87550 
1 1 1 -3  17 32 o 352.7117 6.799850 3659.092       140.6597 3711.848       157.6594 3453.268       311.4072 355.1170 7.570034 340.1057 15.65419 15.01132       17.38847 
1 1 1 -3  17 33 o 73.44543 18.13649 168.3339       77.65012 184.6533       82.32111 36.64880       233.8449 76.88189 18.48558 73.55435 31.20535 3.327538       36.26970 
1 1 1 -3  17 34 o 38.81973 17.25014 -26.08353      78.67560 -56.42863      83.34969 221.9379       238.2892 36.97598 16.95650 90.51266 33.64486 -53.53667      37.67625 
1 1 1 -3  17 35 o 305.7452 6.874198 2752.728       123.2629 2804.973       136.3607 2519.295       288.2366 308.5024 7.536683 288.9120 17.08743 19.59045       18.67571 
1 1 1 -3  17 36 o 260.7551 10.60168 2019.814       161.7899 1962.144       191.2818 2164.788       303.2794 256.2577 12.76780 265.9326 19.58293 -9.674927      23.37750 
1 1 1 -3  17 37 o 120.2707 12.79964 437.0401       88.89816 461.2348       95.06548 268.5097       250.9006 123.4358 13.34388 94.13456 34.60742 29.30128       37.09087 
1 1 1 -3  17 38 o 35.51788 16.52962 -69.31841      83.57595 -64.45121      88.53125 -109.1817      253.3631 37.28201 17.23316 64.28452 29.51072 -27.00252      34.17403 
1 1 1 -3  17 39 o 64.51805 20.43574 130.9237       86.69374 114.9177       92.01901 257.3284       258.5930 61.82329 21.12703 90.48216 34.72793 -28.65887      40.64949 
1 1 1 -3  17 40 o 38.68034 17.65499 -47.09833      88.96673 -26.60994      94.12796 -218.7049      272.4154 41.95002 18.73994 60.18026 28.56909 -18.23024      34.16692 
1 1 1 -3  17 41 o 106.9092 15.08183 357.2020       91.93861 572.0367       141.8748 201.6715       120.7149 133.8385 18.57482 77.53691 24.05098 56.30157       30.38871 
1 1 1 -3  17 42 o 131.1972 12.95165 529.6622       98.35677 418.4055       145.1732 624.0649       133.7259 111.0038 23.05422 140.5257 16.54245 -29.52195      28.37516 
1 1 1 -3  17 43 o 107.1010 15.87781 364.6647       96.71624 259.6431       147.2403 444.3662       128.2687 85.23965 26.58181 116.3038 19.49433 -31.06416      32.96394 
1 1 1 -3  17 44 o 49.16936 20.28449 41.07694       94.72504 -69.01701      147.3326 118.6527       123.6745 48.19502 22.26120 63.33553 24.08800 -15.14051      32.79928 
1 1 1 -3  17 45 o 125.0377 15.03174 496.0620       108.0223 426.7621       159.6253 554.6114       146.7223 108.4915 25.51780 128.7128 20.09296 -20.22126      32.47900 
1 1 1 -3  17 46 o 63.55643 22.85760 132.1077       108.6225 205.3200       172.9599 84.42578       139.5824 75.73833 28.55851 59.81435 24.64436 15.92399       37.72179 
1 1 1 -3  17 47 o 160.8772 13.22056 810.3134       123.6373 737.9834       194.4811 859.3733       160.1702 143.9095 23.87954 162.3827 17.07381 -18.47327      29.35553 
1 1 1 -3  17 48 o 48.15670 21.85968 -26.02532      134.0481 -283.2177      198.7568 188.5733       181.5542 44.83838 22.00837 73.04021 28.79450 -28.20183      36.24213 
1 1 1 -3  18 1  o 548.2325 10.35036 8823.931       332.7905 8875.375       463.8626 8769.367       477.7169 549.3373 14.41037 545.9847 14.93302 3.352600       20.75220 
1 1 1 -3  18 2  o 1017.442 17.40195 30457.34       1038.384 31264.85       1517.255 29745.89       1424.155 1028.975 25.14220 1003.928 24.18825 25.04742       34.88842 
1 1 1 -3  18 3  o 476.8959 9.575843 6675.925       267.8250 6879.325       382.0184 6479.316       375.5869 483.6774 13.48037 469.3758 13.65845 14.30157       19.19045 
1 1 1 -3  18 4  o 132.8191 12.45112 522.7277       95.85752 572.8737       114.8154 407.3582       174.1515 138.8828 14.30033 115.1475 26.35869 23.73534       29.98800 
1 1 1 -3  18 5  o 545.8816 8.820501 8745.897       282.3854 9055.280       360.8402 8257.023       453.5924 555.3100 11.07972 529.7943 14.61245 25.51575       18.33805 
1 1 1 -3  18 6  o 228.7502 8.591722 1537.903       115.0587 1526.232       141.6589 1560.530       197.2392 227.7412 10.63538 229.9314 14.70369 -2.190216      18.14689 
1 1 1 -3  18 7  o 1004.652 14.12808 29668.45       832.4333 30108.48       1042.456 28894.08       1382.886 1011.411 17.57435 989.2668 23.83540 22.14465       29.61392 
1 1 1 -3  18 8  o 494.3036 8.965686 7172.031       259.9129 7670.561       421.1477 6865.339       330.3239 510.6286 14.07646 483.4531 11.65024 27.17548       18.27224 
1 1 1 -3  18 9  o 68.43944 21.28865 137.2076       94.50444 296.6861       127.5579 -56.84315      140.7064 98.32092 22.59577 51.52397 22.97145 46.79695       32.22198 
1 1 1 -3  18 10 o 129.5295 11.64492 496.8497       87.51851 499.5786       112.6881 492.7018       138.9315 129.4527 15.12770 127.9264 19.10216 1.526329       24.36677 
1 1 1 -3  18 11 o 289.3027 7.523843 2457.914       127.5481 2589.404       185.7348 2340.565       175.4636 296.7277 10.69043 282.0959 10.62470 14.63174       15.07214 
1 1 1 -3  18 12 o 314.1143 8.428533 2898.554       155.1306 2969.602       209.8530 2812.946       230.3528 317.7188 11.28006 309.0755 12.73532 8.643280       17.01259 
1 1 1 -3  18 13 o 173.4624 10.88804 887.5604       110.2071 819.0141       141.3228 993.9337       176.0503 166.1837 14.65003 182.9406 16.58893 -16.75693      22.13179 
1 1 1 -3  18 14 o 391.3742 8.907743 4498.328       204.4610 4426.450       274.8301 4587.420       305.9735 387.8042 12.09854 394.6567 13.23820 -6.852539      17.93390 
1 1 1 -3  18 15 o 199.8851 10.39027 1177.362       121.3848 1253.914       157.7817 1066.352       190.0017 206.0081 13.12766 189.3380 17.30176 16.67007       21.71834 
1 1 1 -3  18 16 o 92.10356 20.14056 260.6820       105.7542 356.4043       133.2532 97.79762       173.8244 107.7697 21.83200 72.55921 28.30220 35.21053       35.74424 
1 1 1 -3  18 17 o 392.3648 8.592121 4522.845       197.7156 4611.229       272.4738 4424.552       287.3425 395.6857 11.75454 387.4503 12.66243 8.235413       17.27733 
1 1 1 -3  18 18 o 351.7858 7.114344 3634.128       146.7789 3510.435       219.8091 3733.667       197.1828 345.2480 10.86940 356.2521 9.445926 -11.00409      14.40032 
1 1 1 -3  18 19 f 596.4741 8.887840 10458.99       310.9126 10270.34       435.1845 10655.67       444.3525 590.3336 12.56972 601.2984 12.60048 -10.96484      17.79803 
1 1 1 -3  18 20 o 39.45963 15.81246 22.06553       55.61877 -95.64408      89.25972 96.77620       71.11166 35.51688 16.70668 57.78051 18.53153 -22.26363      24.95057 
1 1 1 -3  18 21 o 106.4852 10.29424 336.9336       63.48789 305.7460       95.23804 361.8779       85.17350 100.2574 16.79051 109.8984 13.49803 -9.640923      21.54340 
1 1 1 -3  18 22 o 143.6602 8.218952 608.8657       68.95840 611.7964       106.2225 606.7307       90.65984 143.4001 12.76363 143.0819 10.88557 0.3181305      16.77516 
1 1 1 -3  18 23 o 304.8364 6.476367 2730.147       115.7841 2899.218       172.6703 2592.019       156.0717 313.6629 9.397104 296.6285 8.981756 17.03436       12.99914 
1 1 1 -3  18 24 o 425.3282 7.153611 5318.009       178.4432 5531.516       260.7285 5129.881       244.7430 433.2135 10.26210 417.2429 10.00163 15.97058       14.32980 
1 1 1 -3  18 25 o 288.6950 7.861523 2453.455       132.9818 2625.569       168.2919 2167.340       216.9827 298.3728 9.629918 270.2351 13.73598 28.13773       16.77535 
1 1 1 -3  18 26 o 301.2742 6.885252 2668.074       121.6557 2748.923       176.7178 2595.242       167.7281 305.2554 9.884151 296.6322 9.654193 8.623260       13.81665 
1 1 1 -3  18 27 o 80.63825 16.52111 200.1660       75.50319 118.0289       124.9342 247.4258       94.76707 67.82319 24.49800 89.46827 18.66551 -21.64508      30.79860 
1 1 1 -3  18 28 o 114.3877 13.04991 391.8626       85.98198 309.0066       139.6837 442.4084       109.1004 99.27637 24.21148 121.1004 15.73293 -21.82405      28.87422 
1 1 1 -3  18 29 o 487.9765 7.407513 7002.704       211.9932 6989.512       241.7551 7046.605       441.0216 487.3042 8.459114 486.9290 15.46303 0.3752136      17.62560 
1 1 1 -3  18 30 o 181.3847 7.879031 969.9878       83.61552 997.6695       88.80910 753.8658       248.1480 183.9116 8.254791 154.6870 28.39931 29.22459       29.57470 
1 1 1 -3  18 31 o 249.1428 6.915680 1827.077       100.9517 1780.795       108.8863 2110.364       269.3905 245.8739 7.560081 265.2039 17.41655 -19.32994      18.98660 
1 1 1 -3  18 32 o 141.8750 9.776748 597.0662       80.85136 619.3794       85.84153 421.7168       240.6404 144.4423 10.19891 113.9709 33.67001 30.47137       35.18078 
1 1 1 -3  18 33 o 96.50331 14.22545 283.1093       78.09966 308.2078       82.63000 72.86872       239.1515 100.7302 14.39605 76.95294 32.03128 23.77729       35.11765 
1 1 1 -3  18 34 f 510.8028 7.725794 7690.564       231.4445 7843.069       270.4470 7273.241       447.3815 515.3922 8.947338 492.7170 15.50139 22.67517       17.89827 
1 1 1 -3  18 35 o 109.8263 13.81257 365.4908       87.00432 324.1976       92.11943 706.6456       264.7815 102.8248 15.77887 145.9615 31.83025 -43.13670      35.52657 
1 1 1 -3  18 36 o 192.1006 9.048672 1094.318       101.6581 1092.998       109.0789 1103.037       280.4056 191.8186 9.727912 185.4065 26.54402 6.412079       28.27043 
1 1 1 -3  18 37 o 228.3242 7.679029 1542.627       102.6811 1562.637       110.9486 1423.181       271.0781 229.6422 8.251369 212.4819 22.07447 17.16026       23.56623 
1 1 1 -3  18 38 o 71.90223 19.76872 166.5323       85.94221 157.3851       91.25023 238.3653       255.7122 70.06104 20.74287 89.13564 34.44919 -19.07460      40.21210 
1 1 1 -3  18 39 o 141.5423 11.61665 605.8922       95.58344 624.2944       102.2020 477.4590       269.9990 143.4421 12.26639 112.6378 36.10793 30.80435       38.13459 
1 1 1 -3  18 40 o 83.88042 18.01864 227.1738       85.99587 226.7136       90.93785 231.0659       264.4640 83.43046 19.01055 86.79582 34.58105 -3.365364      39.46201 
1 1 1 -3  18 41 o 126.6196 16.55831 506.1202       120.0177 413.3780       134.3082 873.6829       267.3804 111.7361 21.27228 155.6334 30.38456 -43.89729      37.09085 
1 1 1 -3  18 42 o 30.52247 14.86982 -140.8737      85.84082 -95.24042      136.9055 -170.4360      110.1918 44.91228 20.98590 34.82108 16.93769 10.09120       26.96837 
1 1 1 -3  18 43 o 133.5143 12.65856 549.9542       97.93634 529.6768       151.2130 564.6064       128.5389 125.6725 21.27455 132.8396 16.87960 -7.167046      27.15746 
1 1 1 -3  18 44 o 43.88588 19.18182 0.6024303      93.58228 -211.1610      149.4234 137.2706       120.0403 40.48545 19.69993 65.50041 23.96105 -25.01496      31.01966 
1 1 1 -3  18 45 o 39.20410 18.24973 -66.85405      101.9760 -71.95012      164.3746 -63.66543      130.0225 50.23714 23.31201 45.08221 20.85487 5.154938       31.27899 
1 1 1 -3  18 46 o 74.36116 23.21049 197.1475       112.2332 315.8513       179.5668 121.0466       143.7767 89.31701 29.50505 64.17744 25.52113 25.13957       39.01123 
1 1 1 -3  18 47 o 77.20230 23.61723 216.8741       116.8892 21.64064       188.4332 338.9898       149.0274 59.00138 26.42446 94.62095 26.03879 -35.61956      37.09812 
1 1 1 -3  18 48 o 125.1506 17.73555 520.0670       126.5329 480.5896       189.5233 551.8151       169.9600 109.6075 29.02763 122.9075 24.43929 -13.29997      37.94579 
1 1 1 -3  19 1  o 445.2121 9.364574 5818.498       244.5150 5329.773       302.8160 6734.189       414.4970 425.7802 12.13910 478.3631 14.79229 -52.58298      19.13556 
1 1 1 -3  19 2  o 512.7457 10.09494 7718.951       303.5681 7480.249       403.7652 8029.328       460.4105 504.3139 13.66400 522.3464 15.04488 -18.03250      20.32371 
1 1 1 -3  19 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  19 4  o 941.4269 16.25529 26074.27       897.4943 27185.56       1335.669 25159.47       1211.844 959.5103 23.73552 923.4184 22.37678 36.09186       32.62047 
1 1 1 -3  19 5  o 452.3846 7.967529 6005.981       211.3888 6075.558       261.2087 5873.933       359.8506 454.9044 9.790773 446.8203 13.74852 8.084198       16.87842 
1 1 1 -3  19 6  o 276.7105 7.689077 2248.736       124.6606 2412.281       156.0670 1960.471       207.1994 286.5054 9.300443 257.8860 13.74937 28.61938       16.59950 
1 1 1 -3  19 7  o 388.8036 7.559350 4436.210       172.3714 4658.464       220.3049 4085.373       276.7915 398.3397 9.430179 372.6409 12.68368 25.69885       15.80519 
1 1 1 -3  19 8  o 692.0156 10.24328 14063.09       415.7243 14176.10       517.9043 13858.36       697.0836 694.5190 12.71496 685.8184 17.34498 8.700562       21.50624 
1 1 1 -3  19 9  o 1034.047 15.66316 31465.71       949.8829 32564.04       1580.974 30845.25       1188.269 1048.808 25.70267 1022.718 19.81110 26.08984       32.45161 
1 1 1 -3  19 10 o 126.6898 12.31259 476.1775       90.33080 536.9150       122.2843 403.2290       134.0140 134.1324 15.85071 115.1818 20.59484 18.95064       25.98832 
1 1 1 -3  19 11 o 549.5477 9.224357 8868.510       297.2980 9260.635       486.8637 8635.355       375.4193 560.7410 14.81751 542.0289 11.80983 18.71204       18.94811 
1 1 1 -3  19 12 o 543.2230 9.065624 8666.219       288.8194 8892.819       467.8202 8526.656       367.1414 549.4423 14.53074 538.5707 11.62358 10.87158       18.60780 
1 1 1 -3  19 13 o 176.7309 10.30109 920.9258       106.3064 1032.905       133.0792 723.4720       176.7151 187.0098 12.20037 155.2317 19.86546 31.77808       23.31278 
1 1 1 -3  19 14 o 482.2613 9.624544 6833.768       272.2156 7121.661       389.7150 6559.479       380.3963 491.6487 13.52866 471.7901 13.76263 19.85855       19.29856 
1 1 1 -3  19 15 o 797.4654 12.19947 18714.61       570.5625 18948.38       929.6464 18573.34       722.6819 800.1205 19.81125 793.5814 15.52763 6.539124       25.17127 
1 1 1 -3  19 16 o 195.8636 9.833071 1130.622       112.5906 1023.745       145.7537 1288.758       177.2941 185.9240 13.45809 208.5555 14.58710 -22.63156      19.84701 
1 1 1 -3  19 17 o 248.2914 8.825690 1814.165       128.3127 1844.577       168.9461 1772.712       197.2462 250.0548 11.55148 244.8094 13.79401 5.245438       17.99198 
1 1 1 -3  19 18 o 222.2636 6.958364 1452.322       90.59216 1536.628       136.4259 1385.827       121.1615 228.3020 10.21499 216.8629 9.549817 11.43912       13.98374 
1 1 1 -3  19 19 o 727.3642 10.43275 15574.39       445.0424 15814.73       644.6870 15355.58       615.1234 731.4326 15.02879 720.9180 14.54875 10.51453       20.91724 
1 1 1 -3  19 20 o 206.2221 7.053755 1250.930       85.18563 1368.263       125.9622 1152.038       115.6400 215.3636 10.00010 197.5745 10.01255 17.78915       14.15109 
1 1 1 -3  19 21 o 199.7096 6.995380 1173.377       81.80683 1181.486       118.6248 1166.023       112.9671 200.0412 10.14438 198.7802 9.719570 1.260986       14.04914 
1 1 1 -3  19 22 f 410.0657 7.095842 4942.278       170.6507 5106.238       250.0492 4799.333       233.4753 416.2942 10.24176 403.6600 9.862220 12.63416       14.21819 
1 1 1 -3  19 23 o 255.7333 6.656460 1923.188       99.74974 1889.181       144.1894 1954.402       138.1398 253.0536 9.733768 257.4786 9.162630 -4.425034      13.36787 
1 1 1 -3  19 24 o 280.3712 6.732523 2310.389       110.7036 2335.262       159.9606 2287.526       153.3646 281.3631 9.708375 278.5204 9.402443 2.842682       13.51512 
1 1 1 -3  19 25 o 209.7315 7.468655 1295.192       91.71970 1253.003       135.8212 1330.561       124.3580 205.7350 11.30004 212.2347 10.01923 -6.499756      15.10218 
1 1 1 -3  19 26 o 88.59695 15.14707 239.1677       75.87838 125.3817       128.3239 300.3401       94.08949 69.31292 24.85443 99.19090 16.77126 -29.87798      29.98363 
1 1 1 -3  19 27 o 50.40316 21.63330 -3.708322      114.7344 -19.28271      134.0992 38.83922       221.6451 52.93393 23.05216 72.91956 30.62823 -19.98563      38.33394 
1 1 1 -3  19 28 o 232.9634 11.16265 1605.364       152.0688 1757.423       187.1963 1310.307       260.7619 243.3694 13.16438 207.8094 21.71597 35.56000       25.39458 
1 1 1 -3  19 29 o 189.1427 7.777263 1054.355       86.08739 1093.152       91.69962 766.1863       249.9136 192.5516 8.138612 156.0671 28.34793 36.48453       29.49308 
1 1 1 -3  19 30 o 248.3786 7.028130 1815.991       102.2746 1809.339       110.1769 1857.434       275.0121 247.8444 7.588796 248.2418 19.03497 -0.3974609     20.49195 
1 1 1 -3  19 31 o 156.9910 8.882504 728.9561       81.44889 701.6721       86.36498 948.3530       244.9057 153.9010 9.616602 174.7294 24.57750 -20.82838      26.39190 
1 1 1 -3  19 32 o 235.9995 7.288521 1641.473       100.7581 1665.987       108.1547 1480.421       277.2210 237.6755 7.769527 219.7261 21.79980 17.94948       23.14296 
1 1 1 -3  19 33 o 61.49147 19.15008 114.0989       76.44643 107.4431       80.54384 174.5673       242.7718 60.45571 19.74959 86.11015 33.48730 -25.65444      38.87732 
1 1 1 -3  19 34 o 294.1949 7.152659 2549.929       123.4108 2574.615       135.8707 2433.548       295.0100 295.3719 7.850389 283.4521 17.83668 11.91974       19.48783 
1 1 1 -3  19 35 o 157.4181 10.27830 737.7554       94.37235 736.3883       100.9014 747.3056       266.6825 157.0953 11.02169 149.8660 31.35085 7.229324       33.23182 
1 1 1 -3  19 36 f 125.4967 11.70005 473.5812       85.12112 448.9160       89.71190 696.2456       269.5458 121.8757 12.73904 142.4089 32.93063 -20.53320      35.30878 
1 1 1 -3  19 37 o 149.8144 15.18209 687.2977       131.5542 801.4058       149.3214 291.5738       278.0738 161.5270 15.97138 95.79890 36.19160 65.72806       39.55903 
1 1 1 -3  19 38 o 99.41833 15.52667 308.3832       87.57235 314.9544       92.61520 252.9233       269.0600 100.1912 16.32310 90.38412 35.22420 9.807076       38.82252 
1 1 1 -3  19 39 o 77.41415 19.54252 195.8591       88.72262 234.9112       93.90717 -128.8018      270.7646 84.93929 19.29233 63.95753 29.76074 20.98176       35.46682 
1 1 1 -3  19 40 o 33.64027 15.98694 -95.85452      85.75530 -94.18407      90.70543 -109.9180      263.1856 35.06359 16.59849 63.42891 29.45565 -28.36532      33.81042 
1 1 1 -3  19 41 o 83.54906 18.39496 228.8086       87.69004 229.4503       92.27986 222.8352       281.5526 83.29794 19.27238 84.81360 34.97849 -1.515656      39.93644 
1 1 1 -3  19 42 o 292.7186 8.271674 2559.954       141.8595 2680.385       197.3266 2431.134       204.0833 297.1273 11.34465 282.0496 12.36769 15.07773       16.78275 
1 1 1 -3  19 43 o 200.3377 9.754339 1211.755       114.2625 1303.410       173.6779 1141.809       151.7216 204.2322 14.59629 191.9033 13.56824 12.32890       19.92859 
1 1 1 -3  19 44 o 181.4921 11.03563 1005.782       116.9089 1006.527       178.3485 1005.222       154.8077 176.4610 17.46210 178.5686 14.91833 -2.107605      22.96697 
1 1 1 -3  19 45 o 84.58687 21.61370 250.6219       107.6049 416.7599       169.7588 139.0344       139.1251 104.9873 27.31404 66.26167 25.46217 38.72564       37.34138 
1 1 1 -3  19 46 o 101.0101 20.54684 351.8609       117.5711 220.1335       184.1860 442.4442       152.7365 76.92554 29.36251 110.4813 24.23990 -33.55579      38.07532 
1 1 1 -3  19 47 o 64.94392 24.02016 141.1741       121.1786 258.7271       190.9618 61.92669       156.7913 80.91611 30.11102 58.74574 25.25278 22.17037       39.29855 
1 1 1 -3  20 1  o 620.7928 16.67126 11350.94       606.4184 11350.94       606.4184 0.000000       0.000000 620.7928 16.67126 ?        ?        0.000000       16.67126 
1 1 1 -3  20 2  o 579.4389 10.85826 9861.060       368.9934 9962.067       516.0937 9755.429       527.7732 581.7697 15.13896 575.6265 15.64801 6.143188       21.77265 
1 1 1 -3  20 3  o 270.1828 8.698682 2145.017       137.6561 2096.471       169.9355 2237.667       234.7628 266.9482 10.87720 275.4603 14.58378 -8.512054      18.19341 
1 1 1 -3  20 4  o 557.5202 10.50806 9128.586       343.5845 9333.828       487.6447 8926.252       484.1776 563.1419 14.77783 550.6690 15.00612 12.47290       21.06105 
1 1 1 -3  20 5  o 481.0471 7.980174 6791.810       225.1389 6858.916       277.0124 6661.228       386.4200 483.3094 9.772901 475.7696 13.86359 7.539856       16.96198 
1 1 1 -3  20 6  o 644.4146 9.615919 12193.76       363.4182 12601.11       463.5401 11543.99       585.4471 654.8355 12.06992 626.0685 15.95767 28.76697       20.00825 
1 1 1 -3  20 7  o 361.1243 7.379783 3827.328       156.2971 3889.335       195.7627 3718.309       259.5752 363.8395 9.181561 355.4524 12.47110 8.387115       15.48642 
1 1 1 -3  20 8  o 184.2799 9.187611 999.6378       98.98267 996.8852       121.3521 1005.109       171.0950 183.8437 11.30981 184.0710 16.00803 -0.2272797     19.60023 
1 1 1 -3  20 9  o 465.4901 7.436347 6359.993       203.0115 6351.216       272.9305 6370.862       303.7372 464.9886 10.00828 465.6125 11.12302 -0.6239319     14.96286 
1 1 1 -3  20 10 o 618.3453 10.10781 11233.28       366.5545 11587.47       592.6796 11013.88       466.4680 626.8947 16.13377 611.8979 12.99847 14.99677       20.71856 
1 1 1 -3  20 11 o 208.0084 8.438598 1272.649       102.7304 1254.542       140.4848 1293.460       150.6085 206.2329 11.66257 209.3474 12.32128 -3.114441      16.96554 
1 1 1 -3  20 12 o 184.4119 9.162053 1001.486       98.78028 1153.408       141.3548 856.4892       138.0951 197.6323 12.25588 169.9811 13.97580 27.65120       18.58842 
1 1 1 -3  20 13 o 549.1022 9.394776 8859.649       302.5451 9732.512       521.3788 8416.526       371.4863 574.3009 15.49389 534.8719 11.84248 39.42902       19.50140 
1 1 1 -3  20 14 o 432.6814 7.927968 5498.551       201.1781 5376.784       307.0092 5590.184       266.3259 427.2166 12.26599 436.0203 10.41492 -8.803711      16.09115 
1 1 1 -3  20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  20 16 o 373.2747 7.385824 4092.626       161.6881 3947.270       240.1803 4213.095       218.6554 366.0205 11.20193 378.3547 9.862365 -12.33417      14.92480 
1 1 1 -3  20 17 o 523.8604 8.700049 8067.820       267.2931 8037.533       420.3052 8088.387       346.3557 521.7075 13.74883 524.0768 11.26878 -2.369385      17.77683 
1 1 1 -3  20 18 f 419.3728 7.686914 5168.459       189.0614 5232.879       295.5428 5123.835       245.9759 421.1612 11.97741 417.2383 10.05213 3.922882       15.63661 
1 1 1 -3  20 19 o 41.76303 17.00570 20.06838       65.48781 11.15652       99.96024 26.76963       86.68040 48.94707 20.56450 47.98858 19.55576 0.9584923      28.37827 
1 1 1 -3  20 20 f 325.7498 7.148765 3118.392       136.5733 3173.734       213.7342 3080.202       177.5482 327.9368 11.12918 323.3633 9.372026 4.573486       14.54969 
1 1 1 -3  20 21 o 443.7993 7.396592 5790.150       192.5169 5926.083       283.1574 5673.300       262.5311 448.3463 10.76871 438.7997 10.20150 9.546600       14.83360 
1 1 1 -3  20 22 o 181.4249 7.851033 969.8887       83.33836 806.1689       121.7794 1114.098       114.2930 164.6821 12.70710 194.1811 10.07045 -29.49901      16.21371 
1 1 1 -3  20 23 o 291.4322 6.828376 2496.452       116.7093 2666.348       172.5958 2353.323       158.4179 300.6519 9.801589 282.4721 9.576496 18.17981       13.70330 
1 1 1 -3  20 24 o 393.5580 7.252160 4554.180       167.3889 4680.082       241.3095 4437.413       232.3896 398.2751 10.33971 387.8312 10.22592 10.44391       14.54232 
1 1 1 -3  20 25 o 361.0978 7.314888 3834.018       154.9113 3951.533       228.2466 3733.655       210.9318 365.8811 10.64819 355.7565 10.11999 10.12460       14.69007 
1 1 1 -3  20 26 o 108.7967 19.61753 364.0598       120.5690 472.7048       143.2748 100.4292       223.1840 124.1500 20.38447 78.50352 31.60006 45.64648       37.60439 
1 1 1 -3  20 27 o 325.6947 7.680791 3120.084       146.7125 3275.963       221.7857 2998.802       195.6323 332.9370 11.37521 318.7148 10.48042 14.22214       15.46721 
1 1 1 -3  20 28 o 99.25487 22.51567 308.1536       128.0436 428.8873       151.2756 3.113267       240.4547 117.4126 22.79074 72.64516 31.25073 44.76740       38.67850 
1 1 1 -3  20 29 o 408.9441 8.909079 4927.566       213.6718 5127.369       268.7033 4583.930       352.3888 416.4853 11.01042 392.2978 15.34597 24.18744       18.88725 
1 1 1 -3  20 30 o 72.26332 17.79843 162.4529       74.92670 176.5945       78.16568 2.345113       263.0095 75.32339 17.95020 75.20926 32.52045 0.1141281      37.14552 
1 1 1 -3  20 31 o 132.2568 10.48486 520.3630       80.66133 543.7012       85.34074 324.8878       246.9844 135.1393 10.85907 102.4781 34.61816 32.66119       36.28135 
1 1 1 -3  20 32 o 209.8171 7.450360 1298.464       91.53323 1297.435       97.60707 1305.972       263.5943 209.6491 7.952909 205.8475 22.18420 3.801514       23.56666 
1 1 1 -3  20 33 o 27.54300 13.50150 -144.3061      74.04538 -140.4590      77.67458 -182.6125      245.1039 28.84626 14.07342 60.85967 28.31795 -32.01340      31.62226 
1 1 1 -3  20 34 o 166.0436 9.469142 818.3612       91.82884 785.3468       96.99670 1103.654       285.1352 162.4838 10.23073 185.8196 26.94983 -23.33580      28.82640 
1 1 1 -3  20 35 o 90.02116 17.04170 253.0129       86.67844 288.2198       91.82516 -34.90649      262.5931 96.27786 16.87736 70.78934 31.48212 25.48853       35.72071 
1 1 1 -3  20 36 f 321.9961 6.983127 3061.578       131.8715 2978.701       143.4579 3513.370       334.9459 317.3677 7.707460 338.9008 16.90538 -21.53308      18.57947 
1 1 1 -3  20 37 o 141.4963 10.64231 601.5179       87.66721 568.9218       92.36711 897.5898       278.3765 137.2847 11.58002 161.0215 30.59629 -23.73671      32.71437 
1 1 1 -3  20 38 o 150.0085 10.70470 677.4227       93.55725 679.1083       99.32486 664.1602       278.6067 149.9453 11.37967 133.1176 35.16693 16.82770       36.96228 
1 1 1 -3  20 39 f 183.3812 9.454012 1006.917       101.3335 1040.488       108.8327 788.1942       277.7935 186.1926 10.00331 146.1659 33.16891 40.02670       34.64453 
1 1 1 -3  20 40 o 56.79125 20.51470 93.20260       87.61124 82.97047       92.65691 179.5498       269.1652 55.64629 20.91991 81.47043 33.95234 -25.82413      39.87987 
1 1 1 -3  20 41 f 151.7744 10.97655 699.7291       97.04443 754.6145       103.5382 302.8990       278.4036 157.4885 11.28469 90.54225 35.66841 66.94623       37.41096 
1 1 1 -3  20 42 o 109.5940 15.48960 381.4182       96.78620 364.9689       103.0995 503.5243       280.9003 106.2991 17.11904 108.4242 36.91567 -2.125183      40.69187 
1 1 1 -3  20 43 o 87.77110 19.87653 260.7240       99.93066 257.8349       154.3180 262.8104       131.1405 83.60212 27.33858 85.46597 24.74751 -1.863853      36.87598 
1 1 1 -3  20 44 o 53.34443 21.72108 62.15517       106.8370 -135.8093      166.2986 201.2836       139.4129 46.81700 22.25291 74.93861 25.98891 -28.12161      34.21426 
1 1 1 -3  20 45 o 68.87693 23.28446 165.2574       111.7368 164.5451       176.7526 165.7316       144.2073 70.99378 28.27554 69.72712 26.12256 1.266663       38.49538 
1 1 1 -3  20 46 o 70.61736 24.61207 178.0107       125.1101 52.42550       199.4556 259.4747       160.6423 62.29260 27.58471 81.83693 27.91569 -19.54433      39.24541 
1 1 1 -3  20 47 o 43.83292 20.40483 -67.19727      127.4914 -81.19232      201.3772 -57.83562      164.7022 53.83383 25.25036 50.39701 23.36859 3.436817       34.40453 
1 1 1 -3  21 1  o 638.9844 16.82787 12033.69       630.0741 12033.69       630.0741 0.000000       0.000000 638.9844 16.82787 ?        ?        0.000000       16.82787 
1 1 1 -3  21 2  o 672.7041 12.11552 13300.43       477.9876 13092.96       652.3584 13540.94       702.3608 666.5427 16.70129 677.6532 17.68780 -11.11047      24.32676 
1 1 1 -3  21 3  o 508.9972 9.963820 7609.188       297.4348 7681.579       411.0590 7529.633       430.9160 510.8669 13.73219 505.6707 14.54540 5.196198       20.00355 
1 1 1 -3  21 4  o 286.5590 8.592752 2413.027       144.2467 2424.609       185.3289 2395.228       229.7444 287.0518 11.02912 285.0274 13.78470 2.024384       17.65388 
1 1 1 -3  21 5  f 56.35240 20.60431 75.52391       88.74622 72.83418       103.7059 82.88197       171.5262 58.47887 22.09981 70.74199 27.95701 -12.26312      35.63701 
1 1 1 -3  21 6  o 295.1603 7.290701 2557.078       126.2054 2689.627       156.3015 2308.767       213.9296 302.5200 8.819061 279.8709 13.06964 22.64914       15.76678 
1 1 1 -3  21 7  o 218.2807 7.867983 1400.592       100.5584 1491.710       122.7872 1215.005       175.2364 225.1712 9.318140 202.6025 14.85103 22.56865       17.53228 
1 1 1 -3  21 8  o 442.1425 7.739013 5739.213       200.6774 6157.723       263.5288 5161.549       309.6089 457.8171 9.814894 418.7074 12.62259 39.10968       15.98943 
1 1 1 -3  21 9  o 411.1403 7.162654 4962.034       172.7088 4969.706       226.4545 4951.367       267.0227 411.3020 9.387927 410.2445 11.10848 1.057495       14.54412 
1 1 1 -3  21 10 o 443.3901 7.286348 5771.627       189.4726 5780.909       252.4045 5759.644       286.7857 443.5470 9.703021 442.5952 11.04842 0.9518433      14.70429 
1 1 1 -3  21 11 o 332.5455 7.467373 3247.050       145.6362 3232.997       213.6131 3259.256       199.0759 331.3910 11.00626 332.8260 10.21092 -1.435028      15.01335 
1 1 1 -3  21 12 o 242.2330 7.693334 1724.924       109.1559 1736.292       155.8088 1713.966       152.9699 242.7193 10.97392 241.1651 10.84309 1.554214       15.42724 
1 1 1 -3  21 13 o 79.57856 20.02949 195.0028       93.39657 169.7546       116.7215 239.9401       155.7183 75.77251 23.67294 89.32414 27.24622 -13.55164      36.09383 
1 1 1 -3  21 14 o 447.2286 10.57150 5884.654       277.2789 0.000000       0.000000 5884.654       277.2789 ?        ?        447.2286 10.57150 0.000000       10.57150 
1 1 1 -3  21 15 o 244.2336 8.778924 1755.784       125.5423 1738.568       160.1633 1783.216       202.1735 242.7333 11.28165 245.4115 14.10628 -2.678162      18.06274 
1 1 1 -3  21 16 o 379.9422 8.639346 4244.199       192.5081 4250.557       259.8091 4236.459       286.6626 379.6377 11.68293 378.7654 12.92370 0.8722534      17.42162 
1 1 1 -3  21 17 o 298.7280 7.271702 2622.048       127.3980 3096.797       212.2956 2354.866       159.2620 324.0151 11.18864 282.7259 9.618977 41.28915       14.75501 
1 1 1 -3  21 18 f 99.17672 13.84122 296.1426       78.31721 261.5114       120.0927 321.7695       103.3074 91.71319 22.49980 102.6766 17.80056 -10.96342      28.68974 
1 1 1 -3  21 19 o 104.3465 12.25722 325.6950       73.58156 391.7266       116.1190 281.3904       95.11570 113.4381 18.05879 95.87054 17.56379 17.56753       25.19139 
1 1 1 -3  21 20 o 400.1518 7.610617 4708.159       178.6056 4914.009       287.1742 4578.305       228.0858 407.8058 12.02031 394.1073 9.875871 13.69849       15.55701 
1 1 1 -3  21 21 f 146.5032 8.741333 633.9620       74.76461 648.3281       113.1956 622.8452       99.57539 147.4839 13.22715 144.7716 11.83093 2.712296       17.74622 
1 1 1 -3  21 22 o 362.9113 7.085173 3871.959       150.8001 3953.250       218.8044 3798.411       208.1233 366.0608 10.20178 358.8786 9.897771 7.182190       14.21416 
1 1 1 -3  21 23 o 30.55197 14.29161 -62.67422      63.78327 -176.4706      113.3911 -10.00092      77.14542 36.43185 17.59207 40.51779 17.56608 -4.085941      24.86057 
1 1 1 -3  21 24 o 395.8988 7.467869 4609.181       173.3929 4846.829       255.9253 4407.533       235.7452 405.2135 10.77866 386.4870 10.41006 18.72650       14.98495 
1 1 1 -3  21 25 o 245.7763 10.00927 1783.217       143.9737 1723.371       170.7988 1930.131       267.6082 241.2350 12.11115 253.8503 18.09373 -12.61522      21.77298 
1 1 1 -3  21 26 o 358.0233 7.727314 3770.358       162.2521 3854.563       237.7597 3696.966       221.9714 361.2087 11.23720 353.8618 10.70811 7.346954       15.52218 
1 1 1 -3  21 27 o 214.8483 8.600601 1361.204       108.1516 1333.057       165.5011 1382.183       142.8792 211.7663 13.39444 216.0615 11.31507 -4.295181      17.53402 
1 1 1 -3  21 28 o 86.67401 16.58471 231.0940       81.23356 67.69312       137.4902 318.7247       100.6868 62.72995 24.95321 101.9708 17.46407 -39.24090      30.45745 
1 1 1 -3  21 29 o 172.9984 12.96926 892.1487       130.6277 893.0409       152.5518 889.6965       252.9070 172.5573 15.23035 168.5983 26.44669 3.958923       30.51870 
1 1 1 -3  21 30 o 98.96754 13.48949 296.2392       76.25990 327.0276       79.78136 -29.61038      259.5470 104.0923 13.37761 72.29010 31.76085 31.80223       34.46320 
1 1 1 -3  21 31 o 121.8674 11.13485 443.4443       78.70505 427.8025       82.82870 588.9047       252.5867 119.5114 11.97867 133.6222 32.53929 -14.11082      34.67411 
1 1 1 -3  21 32 o 270.1546 7.157815 2151.253       113.3080 2151.655       122.4161 2148.850       299.3530 270.0627 7.736976 265.7477 19.33954 4.314911       20.82975 
1 1 1 -3  21 33 o 135.3580 11.08633 547.2067       87.23756 565.3810       92.37121 397.1992       265.3773 137.4940 11.56221 109.7266 35.84895 27.76735       37.66738 
1 1 1 -3  21 34 o 240.9710 7.768343 1715.993       109.6417 1749.539       118.0707 1505.888       295.4870 243.1874 8.290598 219.0098 23.36556 24.17763       24.79281 
1 1 1 -3  21 35 o 271.1392 7.224238 2172.508       114.7751 2169.367       123.5032 2192.403       310.8309 270.7751 7.785208 265.6333 20.10141 5.141754       21.55635 
1 1 1 -3  21 36 o 150.5156 10.17208 678.3475       89.26548 706.8006       94.66949 450.2530       268.0421 153.5255 10.57894 111.3045 36.00410 42.22099       37.52611 
1 1 1 -3  21 37 o 72.15263 19.71063 169.0056       85.75289 160.3022       90.30573 248.8507       273.5234 70.34696 20.58437 89.89088 35.37195 -19.54391      40.92543 
1 1 1 -3  21 38 o 53.19606 22.66700 23.52141       124.3155 101.6515       139.0051 -288.6377      277.8494 64.24026 25.23494 57.91560 27.85787 6.324665       37.58807 
1 1 1 -3  21 39 o 96.81168 17.04134 299.5031       93.22478 293.9960       98.49821 346.8423       288.7859 95.33905 18.28096 96.66257 36.79774 -1.323517      41.08853 
1 1 1 -3  21 40 o 116.0549 14.50984 421.0725       96.60692 422.2466       102.1387 411.1064       297.5891 115.7651 15.42768 100.6256 37.56079 15.13947       40.60574 
1 1 1 -3  21 41 o 112.7915 14.67140 399.9532       94.75291 426.3311       99.90591 163.8565       298.8935 116.3334 14.99134 80.25436 34.68492 36.07901       37.78603 
1 1 1 -3  21 42 o 251.0982 8.023042 1885.596       117.9982 1863.083       125.7147 2052.273       342.0677 249.2235 8.613905 243.7545 24.24942 5.468964       25.73391 
1 1 1 -3  21 43 o 70.86945 25.64561 171.4753       136.9930 200.2969       154.2990 64.17778       297.7141 75.20872 27.21712 72.18951 32.69250 3.019218       42.53905 
1 1 1 -3  21 44 o 132.8740 14.81516 560.8475       113.4891 500.0213       172.2053 607.5500       150.8936 116.7576 25.83327 134.6192 19.69497 -17.86161      32.48461 
1 1 1 -3  21 45 o 50.79261 21.88440 29.24628       118.2735 111.3578       188.2477 -24.30627      152.0260 66.18729 28.03549 51.17645 23.24972 15.01083       36.42168 
1 1 1 -3  21 46 o 98.13154 23.44204 349.2563       133.0587 181.6015       207.7768 465.8116       173.2427 73.22238 30.10765 110.4087 26.98614 -37.18629      40.43171 
1 1 1 -3  22 1  o 411.1572 8.939278 4964.700       215.5563 4514.268       263.9886 5865.829       373.3909 391.7006 11.50406 446.1665 14.28817 -54.46585      18.34381 
1 1 1 -3  22 2  o 217.6624 9.637879 1394.450       122.7262 1317.327       148.3153 1561.930       218.5635 211.3217 12.01670 229.6358 16.33550 -18.31419      20.27929 
1 1 1 -3  22 3  o 716.5457 12.84266 15104.17       539.6964 16339.27       828.8323 14194.99       711.1124 743.6143 19.02064 693.4815 17.49846 50.13275       25.84533 
1 1 1 -3  22 4  o 212.9201 9.801433 1334.733       122.0647 1334.733       122.0647 0.000000       0.000000 212.9201 9.801433 ?        ?        0.000000       9.801433 
1 1 1 -3  22 5  o 407.7310 8.979965 4882.962       214.7331 5144.140       302.7706 4618.628       304.5945 418.0043 12.36403 395.9550 13.13491 22.04929       18.03871 
1 1 1 -3  22 6  o 616.5698 11.25254 11177.57       406.8959 11893.64       611.6525 10609.11       544.9771 634.8417 16.44199 599.7696 15.50628 35.07214       22.60053 
1 1 1 -3  22 7  o 728.0084 10.60045 15580.09       452.5964 16228.37       583.7025 14602.69       716.7186 742.4492 13.40523 703.3355 17.37543 39.11371       21.94552 
1 1 1 -3  22 8  o 75.14002 18.37304 173.4710       80.27961 254.7614       96.17612 -13.30092      145.7819 91.21817 18.60881 56.28747 24.27452 34.93070       30.58660 
1 1 1 -3  22 9  o 311.6451 6.836878 2851.252       124.9593 3093.146       166.7160 2541.127       188.7700 324.3585 8.772036 293.7422 10.97693 30.61636       14.05139 
1 1 1 -3  22 10 o 440.1902 7.128489 5689.497       184.0299 5891.818       250.8235 5453.590       270.8430 447.7139 9.552501 430.6094 10.72466 17.10449       14.36206 
1 1 1 -3  22 11 o 564.3333 9.565901 9362.568       316.6008 9897.615       518.9147 9045.293       399.5930 578.8940 15.29774 554.2310 12.29353 24.66296       19.62528 
1 1 1 -3  22 12 o 312.8407 8.172130 2877.566       149.8087 2896.217       198.3352 2852.789       228.5956 313.5426 10.80194 310.9258 12.56191 2.616791       16.56754 
1 1 1 -3  22 13 o 439.1325 8.075001 5666.575       207.9642 5484.006       309.5812 5816.712       280.7411 431.2424 12.25302 444.5504 10.76798 -13.30807      16.31214 
1 1 1 -3  22 14 o 145.9146 11.77581 631.3464       99.91677 587.2552       122.5638 718.7088       172.5238 140.1641 15.15040 154.3719 19.48948 -14.20787      24.68551 
1 1 1 -3  22 15 o 269.3871 8.738400 2136.254       137.8746 2307.124       185.4297 1924.989       206.1860 279.6047 11.33143 254.9441 13.84190 24.66061       17.88853 
1 1 1 -3  22 16 o 405.1473 9.078482 4828.956       215.7132 4977.904       294.3553 4656.172       317.0346 410.6274 12.23652 396.7973 13.64376 13.83014       18.32716 
1 1 1 -3  22 17 o 372.2991 7.538742 4074.155       164.6044 3935.380       245.4172 4187.632       221.9233 365.1558 11.47402 376.9689 10.04695 -11.81311      15.25104 
1 1 1 -3  22 18 o 292.5356 7.302889 2515.467       125.2922 2759.157       195.4208 2345.379       163.2634 305.7354 10.91622 282.0208 9.886198 23.71454       14.72755 
1 1 1 -3  22 19 o 366.5659 7.471664 3950.775       160.6275 4096.112       253.3486 3853.083       207.7119 372.3685 11.61520 361.5270 9.805536 10.84146       15.20070 
1 1 1 -3  22 20 o 238.6163 7.483434 1675.900       104.5958 1863.883       164.3734 1547.989       135.5893 251.0922 11.19026 228.9583 10.12263 22.13385       15.08939 
1 1 1 -3  22 21 o 117.8687 11.51291 413.9727       78.57204 327.3701       127.8934 466.4758       99.58065 102.5487 21.92912 124.7754 13.84056 -22.22666      25.93159 
1 1 1 -3  22 22 o 270.4357 7.162410 2151.764       113.4988 2209.413       166.2404 2101.429       155.3369 273.5404 10.38134 266.8394 9.943389 6.701080       14.37509 
1 1 1 -3  22 23 o 157.6673 9.367316 734.7675       86.22739 704.8583       133.8777 755.9705       112.7212 153.4406 15.07132 159.5124 12.14046 -6.071762      19.35292 
1 1 1 -3  22 24 o 481.1992 8.166243 6812.955       230.4612 7139.592       341.1860 6538.869       312.5376 491.6902 11.83176 470.6902 11.32183 20.99997       16.37603 
1 1 1 -3  22 25 o 333.3680 7.659143 3268.789       149.7458 3209.032       218.3730 3321.830       205.7366 329.5265 11.31627 335.4602 10.47013 -5.933685      15.41692 
1 1 1 -3  22 26 o 133.1569 11.46549 527.4539       88.66675 357.0949       147.8691 623.0964       110.7950 106.6490 24.19829 144.4951 13.22059 -37.84614      27.57429 
1 1 1 -3  22 27 o 558.1340 10.52267 9195.304       344.4410 8916.648       398.3173 10021.44       685.8375 548.9213 12.37282 577.1952 20.29197 -28.27386      23.76659 
1 1 1 -3  22 28 o 250.8409 10.31979 1861.015       151.4926 1888.826       178.9712 1790.726       284.5219 252.3018 12.13072 243.1499 20.13250 9.151825       23.50472 
1 1 1 -3  22 29 o 251.7597 8.075782 1869.492       119.0855 1755.864       168.4795 1982.939       168.3454 243.1606 11.84985 258.6280 11.12479 -15.46733      16.25361 
1 1 1 -3  22 30 o 335.1930 6.925360 3307.390       136.1406 3278.881       148.6311 3455.945       339.2816 333.6148 7.596505 338.9171 17.12482 -5.302307      18.73410 
1 1 1 -3  22 31 o 163.4007 8.912833 790.6163       85.08884 801.7406       89.83678 693.6416       265.2449 164.4694 9.352163 145.0913 32.02952 19.37811       33.36694 
1 1 1 -3  22 32 o 113.9210 12.89112 391.2531       84.61644 410.3025       88.59619 193.3938       285.5303 116.6228 13.18423 90.95765 36.03118 25.66515       38.36757 
1 1 1 -3  22 33 o 83.13972 17.67543 216.9228       83.52792 213.0104       87.63571 255.7461       276.0597 82.16253 18.61897 94.97589 36.01944 -12.81336      40.54709 
1 1 1 -3  22 34 o 95.37868 15.33362 281.0724       82.86562 340.6609       86.58200 -368.6939      285.9070 105.4995 14.36640 57.86766 27.94081 47.63187       31.41787 
1 1 1 -3  22 35 o 154.8139 9.837410 716.0459       88.85645 739.9832       93.61629 498.4441       282.2574 157.2810 10.20412 116.8093 36.85803 40.47167       38.24445 
1 1 1 -3  22 36 o 100.9140 14.75334 315.8657       84.73563 300.3679       88.88409 470.3613       280.6387 97.89164 16.03683 112.0453 36.87988 -14.15363      40.21574 
1 1 1 -3  22 37 o 46.42165 19.29634 25.79593       86.62065 33.81329       90.70885 -57.18148      291.8194 48.33828 19.88629 69.89222 31.92929 -21.55394      37.61575 
1 1 1 -3  22 38 o 29.17739 14.36515 -172.2683      86.78999 -107.3489      91.17312 -799.1713      283.3215 34.24442 16.33309 44.81025 22.62564 -10.56582      27.90500 
1 1 1 -3  22 39 o 139.9223 11.80760 597.1586       95.99108 625.1141       101.9276 377.9242       285.4388 142.9611 12.27565 98.31955 36.76870 44.64153       38.76376 
1 1 1 -3  22 40 o 205.4931 8.901643 1266.232       107.0253 1280.349       114.9025 1173.734       294.1198 206.3103 9.522059 180.5919 28.73151 25.71848       30.26829 
1 1 1 -3  22 41 o 158.2299 10.95664 762.3143       101.0476 721.1909       106.4024 1140.308       322.5885 153.3650 11.92333 171.2216 33.32418 -17.85663      35.39303 
1 1 1 -3  22 42 o 111.6558 15.57443 398.5244       99.21539 387.6624       103.8281 512.6877       336.6070 109.4468 16.70402 103.9837 39.69328 5.463058       43.06484 
1 1 1 -3  22 43 o 80.79129 21.27869 227.6316       102.2019 285.1569       107.6072 -302.2011      326.5736 91.01575 20.63652 59.39424 28.95055 31.62151       35.55278 
1 1 1 -3  22 44 o 90.62776 20.92906 285.7509       108.9949 262.9032       169.8172 301.7568       142.1349 82.46581 28.67843 89.80701 25.69011 -7.341202      38.50239 
1 1 1 -3  22 45 o 64.93657 24.30212 139.8545       124.7403 -116.3484      199.0972 305.4122       160.0471 51.97068 24.59888 88.33867 27.73823 -36.36799      37.07444 
1 1 1 -3  22 46 o 191.5465 13.10971 1150.708       146.3833 1082.131       214.3159 1210.678       200.4169 177.0865 21.04689 191.0457 18.10336 -13.95918      27.76155 
1 1 1 -3  23 1  o 350.1973 8.660185 3602.329       177.8650 3576.448       227.9158 3642.643       284.4550 348.5645 11.16352 351.4216 13.82876 -2.857147      17.77242 
1 1 1 -3  23 2  o 349.7656 9.193225 3596.754       188.4165 3483.127       258.8085 3724.889       274.8353 343.7602 12.85994 355.4571 13.20659 -11.69693      18.43345 
1 1 1 -3  23 3  o 327.1082 8.573409 3145.135       164.3315 3211.043       212.9493 3048.103       258.3849 330.2665 11.00953 321.4148 13.73896 8.851746       17.60593 
1 1 1 -3  23 4  f 284.1962 8.526624 2374.611       141.9562 2307.809       178.3121 2490.223       234.5802 279.9350 10.88181 290.4341 13.81145 -10.49918      17.58323 
1 1 1 -3  23 5  o 35.42371 16.24147 -54.79613      76.41782 -44.38165      87.47318 -88.36208      157.0382 39.66054 17.86311 52.32272 23.71475 -12.66218      29.68973 
1 1 1 -3  23 6  o 127.2995 11.42357 480.5568       84.38043 469.8832       97.48873 512.4348       168.4781 125.5923 13.44445 129.4652 23.03338 -3.872818      26.67002 
1 1 1 -3  23 7  o 294.1864 7.130721 2541.248       123.0287 2648.666       150.5993 2325.731       213.3176 300.1294 8.564620 280.7039 12.99294 19.42551       15.56178 
1 1 1 -3  23 8  o 311.5786 7.080656 2850.740       129.3873 3062.939       162.1890 2479.310       214.5798 322.7494 8.576112 289.8604 12.65310 32.88907       15.28564 
1 1 1 -3  23 9  o 398.2381 7.327753 4657.844       171.1450 4927.110       220.7186 4251.847       271.0255 409.4038 9.192562 379.7706 12.18430 29.63324       15.26304 
1 1 1 -3  23 10 o 546.5833 10.31855 8789.349       330.7697 9071.955       478.1745 8530.048       458.0334 554.1705 14.72575 537.4003 14.54616 16.77014       20.69876 
1 1 1 -3  23 11 o 317.9129 6.802039 2968.214       126.8229 3031.334       168.6306 2886.024       192.4251 320.9719 8.966946 312.9791 10.49811 7.992828       13.80639 
1 1 1 -3  23 12 f 163.4025 9.757874 788.3276       93.08541 776.7960       125.8767 802.2440       138.2812 161.7099 13.39267 164.1751 14.51093 -2.465164      19.74666 
1 1 1 -3  23 13 o 298.6584 7.629310 2622.922       133.5226 2718.492       197.3799 2542.288       181.3020 303.5846 11.10465 293.6534 10.54442 9.931244       15.31333 
1 1 1 -3  23 14 o 308.3307 8.599410 2797.944       155.3501 3001.007       209.3601 2549.156       231.7364 318.9318 11.21041 293.4962 13.49913 25.43561       17.54708 
1 1 1 -3  23 15 o 529.0729 9.173739 8236.782       284.6508 8285.388       441.4526 8202.191       372.4104 529.1566 14.23784 527.3012 12.04239 1.855347       18.64766 
1 1 1 -3  23 16 o 406.3939 8.887026 4859.752       211.8137 4924.439       285.4231 4780.460       316.0059 408.3549 11.93072 401.9598 13.42368 6.395050       17.95933 
1 1 1 -3  23 17 o 390.7452 7.699028 4489.629       176.4331 4613.846       273.7464 4401.366       230.7542 395.1989 11.82417 386.3511 10.19287 8.847839       15.61107 
1 1 1 -3  23 18 o 410.5398 8.002564 4957.771       192.6793 5094.584       302.0495 4863.899       250.1957 415.0739 12.42199 406.0415 10.51537 9.032471       16.27510 
1 1 1 -3  23 19 o 269.1325 7.644866 2131.964       120.5442 2263.623       187.5340 2039.265       157.3590 276.6646 11.58344 262.8206 10.22849 13.84402       15.45310 
1 1 1 -3  23 20 o 194.9002 8.432583 1120.027       96.16001 1055.357       147.2845 1168.074       126.9513 188.3774 13.41934 198.6796 10.93735 -10.30219      17.31197 
1 1 1 -3  23 21 f 129.7928 11.16670 500.7517       84.17587 432.2532       133.9444 545.4618       108.2148 118.6885 19.94966 135.0349 13.86095 -16.34637      24.29228 
1 1 1 -3  23 22 o 426.5804 8.283930 5354.735       207.2468 5628.476       329.7578 5176.019       266.4443 436.0789 12.90796 418.7398 10.85871 17.33917       16.86793 
1 1 1 -3  23 23 o 288.6239 7.907139 2452.352       133.7189 2465.512       205.1935 2442.638       176.2937 288.6349 12.14889 287.6294 10.46834 1.005432       16.03688 
1 1 1 -3  23 24 o 150.6291 10.51756 672.3618       92.32885 592.7672       152.8188 718.1177       115.8667 139.6241 19.16769 155.3099 12.83514 -15.68579      23.06818 
1 1 1 -3  23 25 o 265.6599 7.918783 2078.500       123.2395 1903.932       175.4938 2248.347       173.1046 253.5643 11.83376 275.8233 10.72149 -22.25900      15.96835 
1 1 1 -3  23 26 o 39.78930 18.89808 -143.8640      119.4820 38.90089       134.4403 -830.8021      260.6404 58.85957 24.21183 43.07748 21.74472 15.78209       32.54298 
1 1 1 -3  23 27 o 241.0817 8.349889 1714.113       117.8798 1652.799       176.7826 1763.202       158.1789 235.8053 12.83142 243.9867 11.08326 -8.181458      16.95535 
1 1 1 -3  23 28 o 139.8185 11.16447 582.0974       90.78895 658.9357       155.3758 542.2616       111.8746 147.0173 18.42386 134.2208 14.43902 12.79646       23.40778 
1 1 1 -3  23 29 o 112.5093 13.59468 381.8867       87.88654 307.4274       144.4131 425.6856       110.7589 98.11884 25.02171 118.1617 16.42630 -20.04282      29.93174 
1 1 1 -3  23 30 o 147.4064 15.02528 655.8306       128.0800 695.3940       146.3305 526.2383       264.8365 151.3176 16.77024 125.4172 34.78869 25.90040       38.61986 
1 1 1 -3  23 31 o 115.8970 12.12243 403.4660       81.17990 390.8658       84.60381 549.7543       288.2746 113.8756 12.89468 127.0612 36.66145 -13.18560      38.86302 
1 1 1 -3  23 32 o 295.6798 7.367521 2578.507       127.7596 2626.126       138.5119 2307.022       330.7255 298.1593 7.928187 273.5960 20.76650 24.56323       22.22844 
1 1 1 -3  23 33 o 60.22266 19.41134 109.5624       77.95705 107.0758       81.48531 136.4259       267.8261 60.01608 19.87768 83.16270 34.18744 -23.14661      39.54622 
1 1 1 -3  23 34 o 236.5861 7.482396 1656.662       103.6893 1683.786       110.5545 1458.389       298.9028 238.3851 7.918630 212.7500 24.39660 25.63506       25.64954 
1 1 1 -3  23 35 o 63.26272 20.11508 125.3127       83.92542 107.7508       87.91918 305.5484       281.6554 60.15046 20.64820 95.85902 36.37611 -35.70856      41.82786 
1 1 1 -3  23 36 o 213.7044 8.198814 1358.511       102.5673 1372.261       108.4257 1241.493       316.3130 214.6200 8.631740 189.3728 29.43633 25.24719       30.67580 
1 1 1 -3  23 37 o 120.4216 12.98373 444.7360       90.24923 447.7808       94.74796 414.9371       296.4052 120.5697 13.63845 103.8840 37.70466 16.68571       40.09550 
1 1 1 -3  23 38 o 70.16290 20.66111 162.8628       90.73439 146.0238       95.38708 322.9510       294.1110 66.94851 21.46184 93.98772 36.76988 -27.03922      42.57505 
1 1 1 -3  23 39 o 94.50287 24.60826 313.3594       137.7100 257.6284       153.3082 546.1857       313.3522 84.91219 27.20732 112.2554 38.96127 -27.34320      47.52072 
1 1 1 -3  23 40 o 115.3168 14.48398 417.7833       95.80058 449.2501       100.4912 104.1231       317.2717 119.5503 14.63767 77.33022 34.48446 42.22012       37.46251 
1 1 1 -3  23 41 o 87.67926 19.78226 259.7195       99.29704 242.7681       104.1681 428.3615       328.5598 83.99100 21.16018 97.98923 38.70304 -13.99824      44.10985 
1 1 1 -3  23 42 o 47.28649 20.17648 23.35261       98.73660 35.98107       103.8228 -96.14590      319.3733 49.66078 20.91669 66.09307 31.24510 -16.43229      37.60005 
1 1 1 -3  23 43 o 111.9322 16.17357 405.6726       103.0974 415.3725       108.2139 310.3130       339.2979 112.8329 16.87008 87.04751 37.27848 25.78542       40.91802 
1 1 1 -3  23 44 o 61.60061 25.88850 89.39056       158.4925 64.18182       177.9011 186.3806       348.9527 61.17902 26.59819 78.94608 35.60695 -17.76707      44.44455 
1 1 1 -3  23 45 o 50.63663 22.15329 19.30023       125.0793 -25.43381      202.7385 46.79074       158.9310 57.27865 26.33266 57.52878 25.07389 -0.2501297     36.36082 
1 1 1 -3  24 1  o 432.2093 9.116255 5490.246       231.0793 5007.386       281.1529 6495.480       405.6634 412.3101 11.63865 469.0267 14.76587 -56.71661      18.80131 
1 1 1 -3  24 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  24 3  o 612.9266 11.24314 11055.28       404.1536 11419.55       583.1782 10718.65       560.6087 621.6174 16.00992 602.2624 15.88558 19.35504       22.55369 
1 1 1 -3  24 4  o 158.6359 10.65060 743.6331       98.51500 743.6331       98.51500 0.000000       0.000000 158.6359 10.65060 ?        ?        0.000000       10.65060 
1 1 1 -3  24 5  f 138.5845 11.19918 568.8976       90.24833 576.7158       106.8519 549.4397       168.5689 139.2640 13.24171 134.2212 22.18904 5.042816       25.83982 
1 1 1 -3  24 6  o 223.9309 7.590112 1474.695       99.53702 1567.685       119.4354 1263.247       180.1002 230.7754 8.840911 206.3220 14.98611 24.45338       17.39957 
1 1 1 -3  24 7  o 185.6720 8.425644 1015.241       91.50963 1170.964       109.6665 658.2391       166.0475 199.3329 9.407437 147.6802 19.65956 51.65273       21.79445 
1 1 1 -3  24 8  o 215.9784 8.636529 1373.387       109.1751 1357.556       136.0053 1402.070       183.0730 214.4781 10.84763 217.4502 14.43711 -2.972046      18.05827 
1 1 1 -3  24 9  o 188.3028 10.75901 1047.266       118.3228 1047.266       118.3228 0.000000       0.000000 188.3028 10.75901 ?        ?        0.000000       10.75901 
1 1 1 -3  24 10 o 179.0017 8.660988 944.3065       90.65345 895.0562       113.0220 1033.145       151.7954 173.9694 11.13592 186.5356 13.97707 -12.56618      17.87085 
1 1 1 -3  24 11 f 294.4393 6.977960 2546.881       120.4966 2444.620       151.9575 2720.098       197.7719 288.1531 9.002880 303.6582 11.12407 -15.50504      14.31072 
1 1 1 -3  24 12 o 150.7264 20.12951 688.1680       173.4952 837.6386       232.8297 501.5513       260.1572 165.3356 24.77358 125.7874 34.31894 39.54823       42.32635 
1 1 1 -3  24 13 o 271.4315 7.626887 2167.334       121.2906 2298.477       145.6879 1871.135       218.9487 279.3703 8.903230 251.0159 14.94032 28.35442       17.39197 
1 1 1 -3  24 14 o 414.8394 8.090370 5060.784       196.8335 5241.867       304.0320 4930.117       258.2636 421.2300 12.32016 408.8584 10.78000 12.37164       16.37055 
1 1 1 -3  24 15 o 414.4240 7.962322 5051.051       193.5241 5324.347       304.5484 4865.957       250.6318 424.4687 12.24657 406.1812 10.53009 18.28741       16.15120 
1 1 1 -3  24 16 o 87.90608 16.99024 237.2828       84.42324 81.39775       110.7259 453.7352       130.4753 60.46168 22.83858 122.0009 18.84165 -61.53917      29.60757 
1 1 1 -3  24 17 o 308.9132 7.691135 2806.532       139.3405 3031.296       218.0049 2651.288       181.1802 320.2349 11.62702 299.7210 10.32266 20.51385       15.54815 
1 1 1 -3  24 18 o 453.7749 8.506443 6060.468       226.3805 6715.849       384.0867 5711.600       280.2288 476.0672 13.77105 440.0101 10.85924 36.05707       17.53753 
1 1 1 -3  24 19 o 444.3930 8.374527 5811.984       218.2620 6388.082       368.8745 5501.634       270.7426 464.3492 13.55966 431.8755 10.68926 32.47369       17.26628 
1 1 1 -3  24 20 o 320.5287 7.772774 3022.030       146.1146 3314.807       233.0256 2832.338       187.5685 334.7985 11.88664 309.7685 10.33906 25.02997       15.75400 
1 1 1 -3  24 21 o 411.5905 8.276554 4984.961       199.7861 5250.093       315.4963 4807.470       258.1376 421.1923 12.78694 403.5338 10.91742 17.65854       16.81356 
1 1 1 -3  24 22 o 215.7561 8.922085 1372.881       112.6528 1476.119       177.3787 1303.089       145.8417 222.9071 13.63356 209.7181 11.90647 13.18892       18.10078 
1 1 1 -3  24 23 o 355.2263 8.152584 3713.169       169.8443 3946.442       265.8572 3552.310       220.7700 365.1674 12.43196 346.8114 10.86757 18.35602       16.51235 
1 1 1 -3  24 24 o 134.7982 11.54673 540.6245       90.40539 531.8430       148.1754 545.8319       114.1042 131.8882 19.76469 134.8627 14.66216 -2.974503      24.60939 
1 1 1 -3  24 25 o 436.5771 8.576334 5614.069       219.5903 5967.553       355.6209 5396.233       279.1699 448.4301 13.53753 427.2260 11.15146 21.20413       17.53910 
1 1 1 -3  24 26 o 220.5967 8.725822 1436.369       112.6674 1310.170       171.0092 1533.164       149.7670 209.5745 13.99348 227.4333 11.26328 -17.85881      17.96327 
1 1 1 -3  24 27 o 268.2991 10.33866 2130.668       162.3754 2275.445       191.4767 1759.982       306.3862 276.8875 11.81850 239.8098 22.03069 37.07767       25.00056 
1 1 1 -3  24 28 o 260.8736 10.73508 2017.401       163.8918 2199.943       194.4631 1569.844       304.4953 272.0114 12.22109 225.4421 23.36857 46.56929       26.37130 
1 1 1 -3  24 29 o 116.2125 13.40655 407.2003       89.70056 353.1385       150.5892 436.9312       111.6743 105.0198 24.84124 119.6757 16.33705 -14.65591      29.73190 
1 1 1 -3  24 30 o 126.2348 12.65205 478.7713       92.40667 429.8221       155.3060 505.5974       114.9726 116.2373 23.58909 129.0071 15.50653 -12.76974      28.22937 
1 1 1 -3  24 31 o 373.0262 7.228583 4102.838       158.1405 4052.855       173.4954 4348.309       384.4819 370.5239 7.984014 378.7543 17.35496 -8.230408      19.10338 
1 1 1 -3  24 32 o 29.77372 14.25826 -95.93504      70.99549 -103.8609      73.59575 10.32083       269.4662 29.97225 14.39633 74.31928 32.51516 -44.34703      35.55967 
1 1 1 -3  24 33 o 86.12930 16.02995 232.1517       77.99269 262.5082       81.39690 -108.1649      272.5361 91.83273 15.67552 66.84694 30.65735 24.98579       34.43246 
1 1 1 -3  24 34 o 144.9566 10.50685 630.8397       88.71620 630.1161       93.10825 637.9716       292.3021 144.6939 11.05577 130.6152 36.66568 14.07870       38.29624 
1 1 1 -3  24 35 o 173.4983 9.034655 898.6737       91.61330 896.2979       96.92654 918.5794       280.5562 173.0753 9.586428 161.5809 30.72865 11.49449       32.18927 
1 1 1 -3  24 36 o 76.89404 19.05081 193.1192       85.46762 200.1477       89.11181 112.4197       301.9535 78.15369 19.50490 80.25248 34.77287 -2.098785      39.86971 
1 1 1 -3  24 37 o 92.53515 17.59592 275.9004       92.00351 283.9771       96.59529 196.9557       301.9953 93.61514 18.24974 84.83131 35.69863 8.783836       40.09296 
1 1 1 -3  24 38 o 62.92064 21.46495 125.8096       94.97839 162.2430       99.52002 -246.2573      318.0323 69.73660 21.86966 62.58292 30.02509 7.153671       37.14550 
1 1 1 -3  24 39 o 53.69263 20.64335 74.52792       91.48209 77.19662       95.98350 48.06112       302.2719 54.69183 21.11422 73.48093 33.14111 -18.78911      39.29559 
1 1 1 -3  24 40 o 179.7265 13.39999 1001.863       140.2266 1123.241       155.3424 467.6558       325.8928 189.8427 14.05191 101.7064 38.99860 88.13626       41.45295 
1 1 1 -3  24 41 o 51.24167 21.06126 50.73359       101.6223 41.84050       106.4338 142.4772       341.8544 50.87309 21.28654 78.79422 35.41605 -27.92113      41.32085 
1 1 1 -3  24 42 o 160.9358 11.79093 798.3777       110.5164 842.3110       115.7329 343.7292       372.3044 165.1609 12.03061 89.56649 38.71012 75.59443       40.53652 
1 1 1 -3  24 43 o 89.36749 21.07584 279.4163       108.6562 219.5538       113.2522 972.3774       385.3222 78.00839 23.11195 135.1252 43.11640 -57.11685      48.92020 
1 1 1 -3  24 44 o 100.2049 21.93625 355.2314       125.3307 333.2570       133.2343 524.1357       369.3839 95.43707 23.86771 98.58960 40.29618 -3.152534      46.83428 
1 1 1 -3  25 1  o 230.2085 10.86967 1563.480       146.3390 1563.480       146.3390 0.000000       0.000000 230.2085 10.86967 ?        ?        0.000000       10.86967 
1 1 1 -3  25 2  o 308.3741 13.24325 2809.720       238.9512 2809.720       238.9512 0.000000       0.000000 308.3741 13.24325 ?        ?        0.000000       13.24325 
1 1 1 -3  25 3  o 425.5626 9.050225 5325.173       225.8777 5301.178       300.8374 5356.181       341.9821 423.9756 12.11116 425.8320 13.71138 -1.856445      18.29432 
1 1 1 -3  25 4  o 451.1663 9.686507 5987.950       256.3034 6538.247       390.8985 5572.961       339.4563 470.3766 14.18615 434.4319 13.33910 35.94470       19.47250 
1 1 1 -3  25 5  o 222.8608 9.026249 1462.933       117.7313 1314.234       141.4513 1798.186       212.3923 210.9109 11.47883 246.2645 14.77365 -35.35362      18.70893 
1 1 1 -3  25 6  o 368.8369 8.672710 3999.959       187.6030 4287.638       259.5020 3684.999       271.5279 381.2899 11.61828 353.1671 13.13230 28.12283       17.53401 
1 1 1 -3  25 7  f 325.6877 7.111715 3116.246       135.8396 3170.549       163.4779 2995.123       244.1537 328.2735 8.498419 318.3227 13.10615 9.950806       15.62031 
1 1 1 -3  25 8  f 111.8181 13.08065 373.9523       84.16204 328.1445       96.69173 517.1393       170.9510 104.0345 16.38923 129.5993 23.35024 -25.56474      28.52789 
1 1 1 -3  25 9  o 268.5725 7.595491 2121.635       119.5175 2218.717       148.7559 1944.839       200.7431 274.4529 9.255021 256.2875 13.40214 18.16541       16.28720 
1 1 1 -3  25 10 o 196.5371 8.314739 1137.893       95.62277 1189.591       119.1104 1044.169       160.3769 200.7388 10.15031 187.3141 14.71704 13.42479       17.87793 
1 1 1 -3  25 11 o 201.8109 16.33595 1215.378       191.6965 1430.622       250.4625 910.9696       297.8548 218.2283 19.78432 170.4986 30.92600 47.72968       36.71290 
1 1 1 -3  25 12 o 170.3502 9.257547 856.6781       92.14122 794.1275       113.9427 974.8761       156.6302 163.6180 11.95675 180.8500 14.89953 -17.23193      19.10393 
1 1 1 -3  25 13 o 380.6647 7.056496 4259.051       157.5369 4396.941       210.5816 4083.797       237.4039 386.4496 9.291312 371.9985 10.89342 14.45105       14.31765 
1 1 1 -3  25 14 o 238.7715 8.194881 1679.186       114.5860 1812.502       138.2548 1386.688       204.7859 247.8920 9.527443 215.4828 16.32603 32.40926       18.90269 
1 1 1 -3  25 15 o 408.1665 8.144329 4901.419       194.9589 5340.320       311.4731 4618.702       249.9849 424.9231 12.51218 395.5872 10.78516 29.33591       16.51890 
1 1 1 -3  25 16 o 136.0048 14.59037 554.3706       114.5609 651.0781       141.6013 371.1375       194.9123 147.0573 16.71459 108.3093 29.76820 38.74806       34.13976 
1 1 1 -3  25 17 o 306.3928 7.912418 2763.518       142.0609 2745.996       211.9232 2777.817       191.4432 304.6801 11.88276 306.7025 10.65940 -2.022369      15.96317 
1 1 1 -3  25 18 o 106.9427 15.94943 346.8792       96.97974 370.5390       146.2454 328.3089       129.5647 108.8798 23.58593 102.6440 22.17202 6.235748       32.37120 
1 1 1 -3  25 19 o 42.54020 18.83669 -28.99973      92.99339 -71.52961      146.9628 -0.5996980     120.0936 51.11793 23.07685 51.87574 22.19628 -0.7578087     32.01899 
1 1 1 -3  25 20 o 109.7044 15.58721 364.1153       97.46736 362.7979       150.1380 365.0749       128.1403 107.5880 24.36263 108.6595 20.86626 -1.071449      32.07708 
1 1 1 -3  25 21 o 251.6863 10.95320 1872.488       161.2910 1844.970       194.7738 1932.534       287.7166 249.3398 13.36839 253.5418 19.49895 -4.201996      23.64155 
1 1 1 -3  25 22 f 190.9768 9.379415 1077.078       104.7313 1114.755       164.6393 1051.469       135.7351 193.3400 14.62836 188.1969 12.36637 5.143143       19.15505 
1 1 1 -3  25 23 o 473.9136 8.930733 6615.880       248.2200 7203.288       412.3817 6282.145       310.8354 492.5704 14.29025 461.1218 11.49382 31.44855       18.33900 
1 1 1 -3  25 24 o 93.55249 15.93277 267.5819       84.28720 236.0886       154.6359 280.8934       100.5344 87.63345 27.22749 95.29604 18.65631 -7.662590      33.00597 
1 1 1 -3  25 25 o 326.8389 8.262960 3148.844       158.2601 3377.620       249.9514 2995.757       204.4657 337.3445 12.65617 318.1557 10.97440 19.18878       16.75160 
1 1 1 -3  25 26 o 51.61326 22.64484 -24.03234      131.5217 -61.92617      147.9232 118.9829       287.3712 51.71550 23.26647 86.26324 35.43219 -34.54774      42.38831 
1 1 1 -3  25 27 o 409.6393 9.794835 4958.870       235.3148 5255.237       295.5307 4445.478       388.9664 420.7317 11.98919 384.3701 17.29921 36.36154       21.04765 
1 1 1 -3  25 28 f 324.1665 8.130423 3100.975       154.4504 3111.560       224.6856 3091.492       212.6616 323.5759 11.85998 322.7432 11.25243 0.8327026      16.34859 
1 1 1 -3  25 29 o 108.2036 15.02005 356.7717       92.74887 129.4138       155.9830 481.1212       115.3571 72.06699 27.13237 125.6543 16.01728 -53.58735      31.50744 
1 1 1 -3  25 30 o 170.5517 10.25446 865.4033       102.0960 929.8948       168.0626 827.6829       128.5312 174.8482 16.58766 165.9603 13.31716 8.887970       21.27198 
1 1 1 -3  25 31 o 153.9783 9.180727 704.7365       82.52982 740.2568       85.81348 267.0690       301.2237 157.7934 9.314345 96.73543 37.38855 61.05797       38.53130 
1 1 1 -3  25 32 o 47.10548 18.02392 49.53827       69.51166 63.89925       71.76072 -168.8559      279.8435 50.17829 18.49766 64.80568 30.18905 -14.62739      35.40540 
1 1 1 -3  25 33 o 275.9479 6.979784 2252.615       112.8680 2221.041       121.0183 2463.621       312.8470 273.8049 7.543510 280.8299 19.10877 -7.024963      20.54385 
1 1 1 -3  25 34 o 124.5996 11.99525 471.4467       86.57304 492.1859       90.79762 264.0070       287.1606 127.2144 12.32411 91.58627 36.17996 35.62810       38.22137 
1 1 1 -3  25 35 o 133.1792 11.86835 538.9092       91.72932 578.7222       96.56090 170.6744       293.6644 137.9705 12.05434 83.71056 35.21347 54.25997       37.21956 
1 1 1 -3  25 36 o 124.5574 13.25007 477.4167       95.30799 533.5872       100.2573 -49.72863      307.1334 131.7947 13.14599 70.79365 32.49617 61.00109       35.05450 
1 1 1 -3  25 37 o 40.66617 18.44523 -38.15639      95.21697 -63.83375      100.1119 205.3237       308.2779 39.54594 18.29584 84.48261 35.83488 -44.93668      40.23526 
1 1 1 -3  25 38 o 80.74715 20.39304 219.8582       96.58256 244.3680       101.4354 -18.06646      316.0381 85.10956 20.55523 71.38432 32.83929 13.72524       38.74192 
1 1 1 -3  25 39 o 104.0832 16.19278 347.6458       95.63141 392.7194       100.6238 -73.07475      307.4229 110.8815 15.93038 67.34300 31.46056 43.53846       35.26391 
1 1 1 -3  25 40 o 118.4973 15.75410 449.2404       106.7745 459.5991       112.0790 347.5121       351.2310 119.4507 16.43379 91.29604 38.46352 28.15466       41.82717 
1 1 1 -3  25 41 o 91.85080 19.48070 286.0397       101.6820 284.5700       105.9334 303.2557       362.5616 91.07029 20.34723 87.33228 37.96983 3.738014       43.07804 
1 1 1 -3  25 42 o 36.66137 17.57892 -122.5991      108.6722 -116.8459      113.3256 -188.3691      383.1669 38.01277 18.15224 66.68054 32.23270 -28.66777      36.99258 
1 1 1 -3  25 43 o 93.70461 22.28769 313.3137       120.6891 295.7027       127.0817 475.2686       385.3795 89.87727 23.75427 94.99543 40.16977 -5.118164      46.66771 
1 1 1 -3  25 44 o 70.31164 24.68640 178.5153       126.0083 141.2565       131.7282 579.8140       432.3130 65.15191 24.84052 98.29073 42.08597 -33.13882      48.87004 
1 1 1 -3  26 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  26 2  o 329.0034 8.792371 3185.726       169.4991 3287.112       216.6097 3025.592       272.2270 333.8462 11.07855 319.5992 14.56188 14.24692       18.29707 
1 1 1 -3  26 3  o 189.5069 9.957801 1060.008       110.2840 1060.008       110.2840 0.000000       0.000000 189.5069 9.957801 ?        ?        0.000000       9.957801 
1 1 1 -3  26 4  o 248.1655 9.025213 1814.062       131.1371 1873.376       164.9746 1712.259       216.1302 251.8950 11.19524 240.0463 15.43396 11.84877       19.06674 
1 1 1 -3  26 5  o 287.2388 8.638818 2428.756       145.3631 2407.500       184.1640 2463.883       236.7513 285.6337 11.01436 288.4049 14.03932 -2.771210      17.84429 
1 1 1 -3  26 6  o 147.0746 10.23951 640.0496       87.77007 571.4547       97.97598 918.7986       197.5060 138.6578 12.17165 174.6025 19.62716 -35.94475      23.09490 
1 1 1 -3  26 7  o 282.2169 7.213422 2342.117       119.2940 2433.550       141.9184 2121.940       220.2279 287.5307 8.425053 267.5377 14.08541 19.99298       16.41281 
1 1 1 -3  26 8  o 51.87771 19.58511 58.76119       81.39986 41.96782       92.93798 114.0782       168.6761 51.51555 20.50806 73.13901 28.05374 -21.62346      34.75043 
1 1 1 -3  26 9  o 399.6935 7.380470 4695.942       173.0062 4915.469       217.1733 4314.659       286.2110 408.6795 9.060936 381.9925 12.79364 26.68701       15.67730 
1 1 1 -3  26 10 o 341.5550 11.34105 3444.911       226.8621 0.000000       0.000000 3444.911       226.8621 ?        ?        341.5550 11.34105 0.000000       11.34105 
1 1 1 -3  26 11 o 210.1235 11.49096 1306.666       141.0669 1426.283       259.9657 1256.744       167.9433 217.4309 20.63352 205.5968 14.01197 11.83417       24.94148 
1 1 1 -3  26 12 o 463.1049 8.059834 6308.952       218.9052 5975.279       253.7544 7279.664       432.8112 450.3920 9.606661 495.3424 14.91549 -44.95041      17.74147 
1 1 1 -3  26 13 o 462.6543 7.373096 6293.786       200.0585 6616.273       276.3578 5938.710       289.9848 473.8337 9.944781 448.6647 11.02054 25.16901       14.84422 
1 1 1 -3  26 14 o 73.93836 22.43110 165.7845       105.7357 157.5568       126.9677 184.4025       190.9932 74.07358 24.81965 83.66360 30.28039 -9.590027      39.15248 
1 1 1 -3  26 15 o 197.2497 10.86363 1151.262       125.1877 969.7013       150.2114 1564.147       226.5204 180.3485 14.31915 228.6528 17.01390 -48.30437      22.23760 
1 1 1 -3  26 16 o 362.5385 9.407844 3874.314       199.8608 3847.403       258.5862 3914.243       314.9745 360.6262 12.24413 363.0092 14.82593 -2.383026      19.22829 
1 1 1 -3  26 17 f 192.2032 10.62387 1092.823       119.2892 1041.512       174.9168 1137.436       163.1029 186.5476 16.14672 195.4128 14.33141 -8.865234      21.58949 
1 1 1 -3  26 18 o 352.9286 8.570028 3666.204       177.3861 4056.783       280.6749 3406.445       228.8943 370.1479 12.94933 339.4963 11.51273 30.65158       17.32709 
1 1 1 -3  26 19 o 280.6076 8.940502 2320.702       146.9458 2518.951       226.6988 2177.047       192.9762 291.4839 13.29625 271.1860 12.16446 20.29797       18.02122 
1 1 1 -3  26 20 o 146.3304 13.29518 638.7710       112.8540 696.8489       171.4466 594.3668       149.9117 151.4125 19.77951 139.9164 18.73986 11.49619       27.24722 
1 1 1 -3  26 21 o 113.1403 15.16365 386.5883       98.08604 245.6476       157.6513 475.6033       125.2885 89.40348 27.44250 125.1487 17.55185 -35.74522      32.57542 
1 1 1 -3  26 22 o 228.6532 8.964808 1542.719       119.9848 1687.470       196.0107 1455.976       151.7348 238.0920 14.10047 221.6286 11.71532 16.46336       18.33227 
1 1 1 -3  26 23 o 341.9096 10.81317 3456.770       216.5552 0.000000       0.000000 3456.770       216.5552 ?        ?        341.9096 10.81317 0.000000       10.81317 
1 1 1 -3  26 24 o 204.3470 12.89752 1243.402       153.7814 1415.183       183.4915 837.9893       281.8882 217.6474 14.45709 161.5270 30.88167 56.12038       34.09817 
1 1 1 -3  26 25 o 92.99129 16.28504 265.7979       85.57950 247.5821       162.9605 272.7347       100.5627 89.19842 27.98692 93.58118 18.97320 -4.382767      33.81198 
1 1 1 -3  26 26 o 312.3541 8.388885 2879.534       153.5355 2769.461       231.6210 2965.811       205.0609 304.9523 12.98046 316.2504 11.07317 -11.29816      17.06187 
1 1 1 -3  26 27 o 154.2652 11.10570 708.8666       99.80405 370.7371       169.2867 889.0043       123.5616 107.0863 26.97315 172.5645 12.28947 -65.47821      29.64088 
1 1 1 -3  26 28 o 165.1414 15.90278 825.7841       152.1185 937.0625       175.7047 492.7581       303.9602 175.5213 17.29318 120.6281 38.27225 54.89319       41.99785 
1 1 1 -3  26 29 o 130.9871 12.56451 515.9717       95.33950 334.2803       163.5690 609.4608       117.3315 101.1088 27.05397 141.9698 14.28587 -40.86095      30.59417 
1 1 1 -3  26 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  26 31 o 251.3523 7.038671 1867.305       103.6564 1856.924       109.0501 1964.523       333.7252 250.5396 7.429835 248.5557 23.16018 1.983932       24.32276 
1 1 1 -3  26 32 o 115.4609 11.51702 403.2568       76.94833 426.0116       80.04751 126.3483       279.2409 118.6608 11.65256 81.32278 34.28070 37.33803       36.20702 
1 1 1 -3  26 33 o 131.3624 10.64747 519.8415       81.32648 554.2838       84.99033 146.0040       280.0045 135.6279 10.77335 81.89680 34.41364 53.73108       36.06055 
1 1 1 -3  26 34 o 160.1295 9.907309 769.6522       92.58602 766.3767       97.09702 802.4663       307.3271 159.5885 10.43136 144.7579 36.27646 14.83058       37.74646 
1 1 1 -3  26 35 f 69.15552 20.31257 156.9460       87.79355 167.4388       91.39460 31.60908       315.8741 71.24410 20.66862 75.88547 34.08147 -4.641365      39.85899 
1 1 1 -3  26 36 o 129.0006 12.89304 512.2870       96.23792 550.5529       101.5178 172.8559       302.3514 133.6620 13.11926 82.20573 35.19734 51.45623       37.56285 
1 1 1 -3  26 37 o 112.0916 15.58999 397.9575       99.71721 366.2854       104.1797 744.0801       344.3972 106.6081 17.25157 128.6701 40.72808 -22.06196      44.23114 
1 1 1 -3  26 38 o 103.7849 16.34161 345.9363       96.18159 383.0623       100.6761 -42.23491      325.5361 109.3960 16.17919 70.33981 32.69721 39.05623       36.48114 
1 1 1 -3  26 39 o 129.4450 13.19316 522.0187       98.75918 545.5638       103.0334 255.7640       346.4785 132.1901 13.47848 85.73281 37.19748 46.45733       39.56414 
1 1 1 -3  26 40 o 63.61245 22.32490 133.7652       103.0462 179.2517       108.0675 -321.8678      342.0280 71.53598 22.83464 60.20605 29.40759 11.32993       37.23207 
1 1 1 -3  26 41 o 47.68847 22.10549 -65.94202      147.1980 -25.76741      159.8361 -290.2719      377.6962 52.41108 23.82193 63.57132 31.01903 -11.16024      39.11093 
1 1 1 -3  26 42 o 165.9014 13.11804 861.8246       126.5968 880.1207       132.8391 680.7624       417.8892 167.2164 13.66460 106.8499 43.15865 60.36653       45.27020 
1 1 1 -3  26 43 o 119.4305 18.87099 480.5252       127.7927 493.7296       134.5342 358.5902       408.8254 120.3813 19.73915 87.72108 39.12982 32.66022       43.82667 
1 1 1 -3  27 1  o 273.4461 8.901421 2202.403       142.5616 2092.885       164.9668 2525.440       283.3229 266.3063 10.58353 291.2745 16.65493 -24.96820      19.73317 
1 1 1 -3  27 2  o 71.23605 27.72870 100.1420       166.5765 100.1420       166.5765 0.000000       0.000000 71.23605 27.72870 ?        ?        0.000000       27.72870 
1 1 1 -3  27 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  27 4  o 332.5316 13.03802 3271.917       253.7772 3271.917       253.7772 0.000000       0.000000 332.5316 13.03802 ?        ?        0.000000       13.03802 
1 1 1 -3  27 5  o 220.1035 11.58845 1433.116       149.0631 1404.279       203.3864 1466.583       219.1040 216.9920 16.09650 221.5700 16.99085 -4.578033      23.40483 
1 1 1 -3  27 6  o 216.3506 10.00162 1381.822       126.5617 1436.246       156.0338 1277.151       216.3877 220.2377 12.12708 206.3931 18.05841 13.84456       21.75252 
1 1 1 -3  27 7  o 40.13369 17.80707 -28.24495      83.52074 -53.61941      92.78049 80.18043       191.7890 40.04016 18.17963 72.52385 29.25791 -32.48369      34.44596 
1 1 1 -3  27 8  o 208.6625 8.169217 1282.803       99.77812 1324.556       114.5269 1151.289       203.2587 211.8987 9.237904 195.8642 17.89210 16.03447       20.13618 
1 1 1 -3  27 9  o 389.5471 7.573343 4462.313       173.0207 4817.625       217.7768 3854.174       284.9101 404.4929 9.180158 360.6882 13.49248 43.80475       16.31938 
1 1 1 -3  27 10 o 398.1027 7.219219 4659.462       168.5527 4914.928       224.6889 4330.685       254.8979 408.5073 9.378455 382.9041 11.36335 25.60315       14.73368 
1 1 1 -3  27 11 o 486.7908 7.621273 6969.281       217.5807 7237.761       294.0302 6644.315       323.4858 495.5219 10.11762 474.3785 11.62732 21.14340       15.41301 
1 1 1 -3  27 12 o 93.23520 16.72910 266.0989       88.11406 256.9261       107.0059 285.4194       155.2975 90.88479 20.55821 95.49538 26.69618 -4.610596      33.69460 
1 1 1 -3  27 13 o 285.3033 7.270680 2394.964       121.5566 2281.067       153.2122 2588.451       199.6928 278.1141 9.406876 295.8696 11.53039 -17.75546      14.88083 
1 1 1 -3  27 14 o 410.4931 9.369013 4963.566       225.5538 5156.050       309.8587 4746.620       328.9603 417.4103 12.67223 400.0618 14.04235 17.34854       18.91489 
1 1 1 -3  27 15 o 299.4051 7.619718 2638.222       133.6890 2386.872       167.2808 3082.562       222.4146 284.3904 10.04531 322.8680 11.76561 -38.47754      15.47055 
1 1 1 -3  27 16 o 143.3855 17.12710 620.1492       141.1807 678.3123       171.1834 496.4475       249.6468 149.3186 20.05435 124.4282 33.48005 24.89043       39.02679 
1 1 1 -3  27 17 o 198.7384 13.74396 1174.760       159.2066 1173.145       194.6844 1178.020       276.6174 197.8832 16.93809 196.0461 24.59874 1.837082       29.86632 
1 1 1 -3  27 18 o 394.3865 8.766929 4579.298       202.7776 4830.791       316.6935 4404.547       263.9893 403.7847 13.39183 386.0215 11.67411 17.76318       17.76587 
1 1 1 -3  27 19 o 172.8059 11.83681 886.2935       119.2376 880.5221       176.3008 891.1591       161.8759 170.9470 17.84762 172.3890 16.20103 -1.442001      24.10417 
1 1 1 -3  27 20 o 232.9815 9.236876 1601.902       125.9608 1662.444       187.5897 1552.193       169.9803 236.4875 13.58254 228.6771 12.72451 7.810364       18.61179 
1 1 1 -3  27 21 o 284.2906 8.825335 2383.528       146.9663 2557.067       232.9557 2268.793       189.4182 293.3461 13.57757 276.7592 11.69632 16.58685       17.92078 
1 1 1 -3  27 22 o 177.1137 10.85270 930.3591       112.1889 888.4579       183.4958 955.3720       141.7738 171.2049 18.57224 178.9173 13.61337 -7.712418      23.02719 
1 1 1 -3  27 23 o 344.6760 8.523272 3502.067       172.2931 3736.240       271.3084 3343.804       223.0403 354.5285 13.07091 335.9360 11.33702 18.59253       17.30251 
1 1 1 -3  27 24 o 134.1468 11.74206 537.3083       91.44890 401.4379       159.0762 604.3754       111.7627 112.3235 24.81106 141.9217 13.59355 -29.59821      28.29087 
1 1 1 -3  27 25 o 151.2421 10.78854 680.6110       95.06592 730.1665       168.6433 657.5290       115.0957 154.4265 19.02228 148.0595 13.39969 6.367035       23.26798 
1 1 1 -3  27 26 o 97.09492 15.44355 288.7675       84.99939 359.2939       164.1319 262.9212       99.36127 105.4683 26.55581 91.63268 19.10878 13.83558       32.71630 
1 1 1 -3  27 27 o 159.2690 10.90315 755.7592       101.2293 687.0964       179.1189 787.9816       122.7041 148.6174 21.14644 162.1113 13.01539 -13.49393      24.83088 
1 1 1 -3  27 28 o 73.90252 26.71011 152.2055       148.5435 101.5627       167.3747 340.0380       322.3417 69.78023 27.60414 105.1058 39.11942 -35.32556      47.87815 
1 1 1 -3  27 29 o 233.1168 12.36141 1627.899       168.3980 1601.742       193.8061 1708.497       340.2053 230.3604 14.41758 231.2057 25.51327 -0.8453522     29.30518 
1 1 1 -3  27 30 o 231.8642 8.687126 1595.969       117.9212 1666.193       185.6911 1548.511       152.6527 234.8960 13.53656 227.3498 11.48599 7.546188       17.75293 
1 1 1 -3  27 31 o 47.13252 21.41964 -56.97031      129.1670 44.32632       143.4574 -490.7713      296.8730 59.01564 24.70469 54.51604 26.78646 4.499599       36.43949 
1 1 1 -3  27 32 o 132.5726 10.69319 529.5317       82.43539 500.8694       85.40622 920.1569       315.2929 128.6645 11.43734 158.1290 34.93093 -29.46454      36.75572 
1 1 1 -3  27 33 o 83.70512 16.78847 223.7955       79.54613 222.2061       82.76846 243.0238       287.8857 83.12968 17.52975 88.96703 35.86214 -5.837349      39.91723 
1 1 1 -3  27 34 o 57.81104 20.24647 99.65157       84.72345 121.3621       88.52210 -137.1498      292.3541 62.17861 20.72198 65.32579 30.57082 -3.147182      36.93204 
1 1 1 -3  27 35 o 169.6596 9.738450 866.1939       96.49182 862.9182       101.0468 900.0900       325.0458 169.1124 10.23611 149.4185 37.22973 19.69383       38.61128 
1 1 1 -3  27 36 o 40.23840 17.98273 -21.59139      86.76968 -45.78077      90.15623 282.3649       319.5869 38.66444 17.69501 89.49351 37.12066 -50.82906      41.12246 
1 1 1 -3  27 37 o 47.13046 19.46208 35.40494       87.31245 59.80534       89.79435 -387.7810      373.9522 51.07120 20.21379 62.58390 30.60762 -11.51270      36.68001 
1 1 1 -3  27 38 o 110.7971 15.13508 390.4672       95.77924 372.9830       98.94946 650.2863       381.4394 107.6790 16.16752 113.0056 42.45380 -5.326523      45.42812 
1 1 1 -3  27 39 f 82.94508 20.04160 235.6706       96.39552 266.8809       100.4037 -131.9890      344.6065 88.51371 19.83395 66.63628 31.77460 21.87743       37.45679 
1 1 1 -3  27 40 o 78.70052 21.81265 218.3768       104.1625 222.5290       108.3571 167.8388       378.0298 79.16969 22.35917 80.20393 36.52488 -1.034248      42.82521 
1 1 1 -3  27 41 o 60.66702 22.80509 115.8176       110.1026 132.6414       114.4230 -94.43053      404.5001 63.44009 23.36269 70.36204 33.78455 -6.921947      41.07567 
1 1 1 -3  27 42 o 75.21955 27.77528 211.4521       161.9126 261.3179       177.6936 -32.47144      393.0045 81.29603 29.23553 71.36925 34.00381 9.926781       44.84390 
1 1 1 -3  28 1  o 313.2010 9.012379 2890.181       165.3717 2991.259       200.9118 2677.836       291.2049 318.3138 10.77771 299.7494 16.63012 18.56445       19.81716 
1 1 1 -3  28 2  o 244.1593 8.856406 1757.044       126.6080 1757.044       126.6080 0.000000       0.000000 244.1593 8.856406 ?        ?        0.000000       8.856406 
1 1 1 -3  28 3  o 265.6505 8.959201 2079.830       139.3826 1969.266       166.6490 2337.246       254.2814 258.1470 11.03285 280.2598 15.53120 -22.11279      19.05104 
1 1 1 -3  28 4  o 166.0923 11.36107 817.7982       110.0009 817.7982       110.0009 0.000000       0.000000 166.0923 11.36107 ?        ?        0.000000       11.36107 
1 1 1 -3  28 5  o 334.6361 8.984043 3299.174       176.1579 3317.569       220.8468 3267.000       292.0758 335.1233 11.25259 331.5985 15.05800 3.524780       18.79798 
1 1 1 -3  28 6  o 138.7617 14.07200 575.8665       112.9368 575.8665       112.9368 0.000000       0.000000 138.7617 14.07200 ?        ?        0.000000       14.07200 
1 1 1 -3  28 7  o 300.1741 9.388700 2656.573       165.0802 2832.506       215.3648 2405.956       257.0432 309.4656 11.88831 284.3139 15.47382 25.15170       19.51336 
1 1 1 -3  28 8  o 232.9851 8.440525 1599.637       115.1410 1687.155       133.9919 1352.582       225.1262 239.1155 9.574130 212.2197 18.26551 26.89586       20.62263 
1 1 1 -3  28 9  o 44.15422 19.64029 -35.95968      102.2477 -35.95968      102.2477 0.000000       0.000000 44.15422 19.64029 ?        ?        0.000000       19.64029 
1 1 1 -3  28 10 o 257.5817 8.104584 1954.106       122.2800 2116.496       145.1357 1556.831       227.0069 267.9074 9.251052 228.0876 17.09456 39.81987       19.43723 
1 1 1 -3  28 11 o 275.0797 13.16840 2243.761       211.8259 2357.413       253.7751 1982.667       384.6445 281.4004 15.43620 254.3718 26.15569 27.02859       30.37098 
1 1 1 -3  28 12 o 204.1088 8.999781 1229.091       107.4670 1145.166       130.1287 1409.108       190.5825 196.6478 11.33121 217.4468 15.03705 -20.79901      18.82841 
1 1 1 -3  28 13 o 151.7990 12.43333 685.5021       109.7206 613.8481       126.8407 898.4953       218.6863 143.0303 15.36144 171.5608 22.25889 -28.53049      27.04500 
1 1 1 -3  28 14 o 114.8499 20.16512 405.6636       130.8730 338.3074       157.5527 555.5847       235.0544 103.6621 25.97171 131.9924 30.91137 -28.33034      40.37379 
1 1 1 -3  28 15 f 364.0956 7.638783 3898.909       163.1136 3601.323       199.4710 4499.516       283.3796 349.4663 9.741992 389.9955 12.40541 -40.52917      15.77342 
1 1 1 -3  28 16 o 307.9211 10.55781 2799.711       190.3798 2824.268       240.8748 2758.837       310.7571 308.6368 13.33889 303.8303 17.51394 4.806519       22.01509 
1 1 1 -3  28 17 o 155.1148 14.25874 719.0186       128.2632 443.9857       176.4688 1027.035       186.7507 118.7512 26.05576 184.8710 17.43007 -66.11981      31.34820 
1 1 1 -3  28 18 o 221.3388 10.36065 1448.357       134.1183 1332.701       190.7115 1561.525       188.6491 211.2195 15.50346 229.0655 14.11100 -17.84607      20.96372 
1 1 1 -3  28 19 o 79.59959 22.34721 196.8549       108.5762 255.0829       163.1784 150.5940       145.4467 90.84226 27.92588 74.59010 26.49216 16.25216       38.49272 
1 1 1 -3  28 20 o 128.5705 14.57811 497.2998       107.9864 566.6265       160.8928 440.4704       145.6709 135.6955 20.88603 119.1005 21.65225 16.59493       30.08399 
1 1 1 -3  28 21 o 93.99647 20.64249 276.4965       110.6742 -98.43321      184.7670 486.2920       138.2126 56.17941 25.56507 125.8181 19.34960 -69.63864      32.06212 
1 1 1 -3  28 22 o 62.62886 22.05490 106.6999       100.6292 139.4848       183.7585 92.65700       120.2649 76.87005 29.33155 63.06992 23.80686 13.80013       37.77707 
1 1 1 -3  28 23 o 153.0047 11.46213 697.4927       102.1063 888.2366       180.3620 607.5284       123.8668 170.8650 18.28256 141.8808 15.11871 28.98415       23.72398 
1 1 1 -3  28 24 o 192.0667 9.560974 1092.821       107.3587 1148.105       170.1168 1056.229       138.4004 195.4743 14.95257 188.1076 12.61827 7.366684       19.56528 
1 1 1 -3  28 25 o 267.0485 8.420370 2106.688       131.7130 2129.982       206.4302 2090.693       171.0572 267.0969 13.21921 265.3406 11.01623 1.756317       17.20769 
1 1 1 -3  28 26 o 105.9148 14.70752 341.9654       88.89620 202.8504       169.0354 395.1507       104.5168 82.53564 28.61743 113.5807 16.14448 -31.04504      32.85729 
1 1 1 -3  28 27 o 267.9073 11.35638 2138.416       178.0283 2037.254       207.3175 2422.494       347.4128 260.5852 13.61270 279.7660 21.33479 -19.18082      25.30768 
1 1 1 -3  28 28 o 72.39590 26.15545 148.7410       142.4209 154.6480       161.5640 128.1512       301.6383 74.88033 27.72812 85.44449 35.79927 -10.56416      45.28175 
1 1 1 -3  28 29 o 130.3670 11.47149 511.7805       86.81416 365.7166       156.9470 576.1734       104.2079 104.7337 25.73804 137.8748 13.04243 -33.14110      28.85398 
1 1 1 -3  28 30 o 111.4372 12.94943 379.0820       83.05703 161.4543       158.4887 461.4794       97.52100 74.30077 27.47214 122.7868 13.77991 -48.48608      30.73442 
1 1 1 -3  28 31 o 71.59692 18.52504 165.7915       78.37444 137.3045       153.3749 175.8589       91.17747 70.40084 26.81303 73.40928 20.43111 -3.008438      33.71007 
1 1 1 -3  28 32 o 51.38895 19.19391 68.21795       77.73354 76.44398       80.43911 -47.93110      302.2596 53.24842 19.59204 71.19557 32.51356 -17.94715      37.96024 
1 1 1 -3  28 33 o 53.17886 19.47855 77.72472       79.36716 89.27795       81.92037 -99.00029      320.3975 55.60264 19.86773 69.88634 32.46995 -14.28370      38.06606 
1 1 1 -3  28 34 o 81.38853 19.55672 219.7054       92.18327 242.9509       96.35409 -31.49747      316.7471 85.63612 19.60851 71.76144 32.96268 13.87468       38.35403 
1 1 1 -3  28 35 o 125.2843 12.98593 485.0387       94.03378 498.5065       98.34107 341.3206       321.2494 126.8087 13.42689 93.90255 37.87206 32.90617       40.18177 
1 1 1 -3  28 36 o 90.59955 17.68863 268.7133       90.61388 280.0166       93.51677 95.07806       366.5266 92.42161 17.89979 79.52534 36.11759 12.89627       40.30983 
1 1 1 -3  28 37 o 49.52470 20.06691 49.70390       90.66220 78.12498       93.03903 -485.3313      403.6790 54.10203 20.81374 61.98278 30.60436 -7.880745      37.01133 
1 1 1 -3  28 38 o 42.61760 18.84079 -7.583137      92.67344 -37.80193      95.20918 537.1654       404.2391 40.17245 18.30829 101.9195 41.96035 -61.74707      45.78062 
1 1 1 -3  28 39 o 47.34263 19.88605 32.59482       93.44142 30.35243       96.93300 62.04984       351.3144 47.66937 20.15123 74.31558 34.34364 -26.64621      39.81906 
1 1 1 -3  28 40 o 58.02335 22.00196 101.5314       102.9942 109.6700       106.7466 -8.165027      391.8999 59.55277 22.44003 72.70752 34.44301 -13.15475      41.10810 
1 1 1 -3  28 41 o 55.51144 22.91696 70.08456       121.0206 149.7578       126.9014 -730.2643      402.2070 66.32405 24.57163 55.08827 27.70515 11.23578       37.03161 
1 1 1 -3  28 42 o 41.19524 19.48515 -96.88122      124.5157 -97.05652      129.8475 -94.87720      439.0295 42.17278 19.93267 70.85149 34.30988 -28.67871      39.67971 
1 1 1 -3  29 1  o 323.7707 10.50416 3094.504       199.1932 3203.827       256.4749 2928.318       316.2183 328.7850 13.32857 313.1670 17.28415 15.61801       21.82642 
1 1 1 -3  29 2  o 373.5567 10.31457 4117.382       225.7575 3920.936       284.4905 4451.473       371.0039 363.7672 13.35770 386.6304 16.39908 -22.86313      21.15084 
1 1 1 -3  29 3  o 451.0476 13.63661 6028.022       360.3132 6028.022       360.3132 0.000000       0.000000 451.0476 13.63661 ?        ?        0.000000       13.63661 
1 1 1 -3  29 4  o 190.0536 10.82937 1068.966       120.2067 1068.966       120.2067 0.000000       0.000000 190.0536 10.82937 ?        ?        0.000000       10.82937 
1 1 1 -3  29 5  o 203.1172 11.62825 1222.141       137.9409 1274.026       162.2678 1086.959       261.9207 207.0533 13.43542 188.2791 24.28519 18.77420       27.75393 
1 1 1 -3  29 6  o 340.8937 11.89168 3436.700       237.3817 3436.700       237.3817 0.000000       0.000000 340.8937 11.89168 ?        ?        0.000000       11.89168 
1 1 1 -3  29 7  o 261.5061 10.11821 2018.901       154.8872 2021.256       188.0995 2013.940       272.9702 261.2380 12.31188 259.2928 18.06335 1.945160       21.86017 
1 1 1 -3  29 8  o 222.5200 17.76630 1484.472       229.9309 1484.472       229.9309 0.000000       0.000000 222.5200 17.76630 ?        ?        0.000000       17.76630 
1 1 1 -3  29 9  o 308.9261 8.209479 2810.202       148.6058 2910.017       173.5630 2536.052       287.6423 314.1613 9.430745 291.4789 16.89901 22.68237       19.35241 
1 1 1 -3  29 10 o 106.4016 18.48581 347.0128       111.1714 300.4453       122.9207 556.2646       260.5663 98.17059 21.90624 131.5117 33.64915 -33.34107      40.15157 
1 1 1 -3  29 11 o 376.6206 9.429459 4180.857       208.1132 3949.422       260.0541 4593.067       347.0630 365.4184 12.15142 393.2119 15.07775 -27.79352      19.36480 
1 1 1 -3  29 12 o 84.50345 22.27342 222.3890       111.9256 203.2625       131.1747 273.5922       214.6253 81.72291 25.02239 96.19705 32.26977 -14.47414      40.83452 
1 1 1 -3  29 13 o 318.0572 11.84734 2991.847       220.6057 2818.605       316.2559 3156.034       307.8798 307.1069 17.63307 325.4979 16.17878 -18.39099      23.93069 
1 1 1 -3  29 14 o 286.9013 9.009971 2426.350       151.4146 2346.981       176.4386 2648.143       294.9467 281.8642 10.69279 297.8124 16.95699 -15.94818      20.04683 
1 1 1 -3  29 15 o 257.5279 8.960399 1955.528       135.1263 1725.028       165.9705 2408.709       232.7187 241.3636 11.76028 284.7749 13.97680 -43.41127      18.26623 
1 1 1 -3  29 16 f 141.2345 14.12820 597.1848       115.4557 644.2872       146.7997 520.8020       186.9397 145.9882 17.49371 128.8318 25.64361 17.15645       31.04230 
1 1 1 -3  29 17 o 111.1975 18.03229 378.4991       113.5727 369.1386       146.8766 392.4186       179.1091 108.4017 23.75996 111.0609 27.61515 -2.659172      36.42982 
1 1 1 -3  29 18 o 193.9002 11.56635 1115.657       130.9323 945.7034       179.6140 1308.380       191.2675 177.0602 17.52663 209.0431 15.71616 -31.98296      23.54104 
1 1 1 -3  29 19 o 102.0960 20.11928 324.1559       116.1822 225.8335       168.7376 412.7879       160.2069 86.68829 28.60003 114.3114 24.62466 -27.62309      37.74037 
1 1 1 -3  29 20 o 148.0490 13.50143 656.5335       115.9406 583.7437       168.3499 722.2040       159.9053 137.2561 21.62885 154.1273 18.03055 -16.87123      28.15862 
1 1 1 -3  29 21 o 126.0367 16.47853 483.2265       118.8909 548.1254       199.3865 447.4204       148.1001 130.9655 26.86107 119.6027 21.92127 11.36282       34.67073 
1 1 1 -3  29 22 o 94.28912 19.72663 278.4419       105.5747 257.0129       188.2303 288.2773       127.5216 91.32259 30.21007 95.24522 23.07497 -3.922630      38.01450 
1 1 1 -3  29 23 o 317.0562 8.628752 2969.163       160.2990 3287.780       260.8488 2775.826       203.1944 331.9707 13.42566 305.7442 11.35162 26.22650       17.58145 
1 1 1 -3  29 24 o 150.2409 11.81327 674.5154       103.2532 574.9268       168.7016 734.1671       130.5645 135.4932 21.98274 156.0898 14.42579 -20.59666      26.29342 
1 1 1 -3  29 25 o 231.3360 10.02913 1588.470       135.7450 1617.549       203.1111 1564.996       182.4859 231.7277 15.02634 228.4356 13.68392 3.292160       20.32340 
1 1 1 -3  29 26 o 144.3109 11.62753 623.9631       97.57710 489.9525       172.6895 686.8167       118.2665 123.1559 24.76821 150.9070 13.50556 -27.75108      28.21107 
1 1 1 -3  29 27 o 308.7299 10.71075 2840.819       193.6381 2818.789       228.8255 2896.387       363.4184 306.4971 12.75787 305.3740 20.40913 1.123108       24.06856 
1 1 1 -3  29 28 o 46.19375 21.42899 -98.13984      138.7267 -50.27660      154.4819 -297.5384      315.3098 52.68999 23.73455 63.56229 30.33240 -10.87231      38.51472 
1 1 1 -3  29 29 o 172.5137 14.48495 910.1093       145.1997 897.7260       166.5514 949.3313       296.4104 170.0755 16.92195 164.3278 31.90676 5.747665       36.11640 
1 1 1 -3  29 30 o 64.48798 18.62813 133.4192       74.38682 43.02081       154.0318 160.9148       84.94962 60.02420 25.38943 70.38905 19.76874 -10.36485      32.17804 
1 1 1 -3  29 31 o 93.13453 14.93394 271.6492       78.81516 200.2212       160.2505 294.4399       90.51991 78.45851 27.81348 96.36111 16.61745 -17.90260      32.39953 
1 1 1 -3  29 32 o 148.5531 10.52243 666.0549       91.08113 717.0370       95.10224 101.1328       316.5743 154.1331 10.58495 79.84415 35.07845 74.28896       36.64067 
1 1 1 -3  29 33 o 170.1570 9.999802 872.5327       99.35119 890.7061       104.0602 685.2567       334.0468 171.7479 10.37945 125.7514 40.14741 45.99648       41.46743 
1 1 1 -3  29 34 o 46.17180 19.41485 24.29798       89.21385 42.44816       93.20556 -174.0901      308.1479 49.33221 20.21156 63.99801 30.38252 -14.66579      36.49115 
1 1 1 -3  29 35 o 44.12906 18.87859 13.19689       86.84992 32.60281       89.99101 -250.3204      331.6169 47.25655 19.65783 62.92887 30.31117 -15.67232      36.12751 
1 1 1 -3  29 36 o 109.4385 14.82415 379.7463       92.70178 382.0391       95.10012 336.0002       415.3976 109.5636 15.20971 91.87121 40.27774 17.69234       43.05382 
1 1 1 -3  29 37 o 117.0579 14.54550 434.1945       97.70969 450.3232       100.5547 161.2074       413.6889 119.1437 14.70221 82.20834 37.72784 36.93533       40.49130 
1 1 1 -3  29 38 o 47.02631 19.89849 28.30868       94.66673 55.08013       98.16267 -327.5928      357.9113 51.05615 20.80889 61.14393 29.91198 -10.08778      36.43812 
1 1 1 -3  29 39 o 157.7865 11.56316 768.2929       106.2602 783.8505       110.6855 585.3214       379.5863 159.1181 11.94825 103.3177 41.34055 55.80047       43.03256 
1 1 1 -3  29 40 o 111.1138 19.02667 417.3870       119.5319 449.2517       125.5733 109.9285       390.0634 115.1616 19.27304 76.49186 35.63591 38.66974       40.51380 
1 1 1 -3  29 41 o 44.58476 20.57833 -50.99340      125.5607 -16.69437      130.2119 -505.5312      474.0179 48.05527 21.70549 63.54664 31.67775 -15.49137      38.40063 
1 1 1 -3  30 1  o 245.1663 9.665936 1773.726       138.7085 1773.726       138.7085 0.000000       0.000000 245.1663 9.665936 ?        ?        0.000000       9.665936 
1 1 1 -3  30 2  o 171.8287 12.95354 878.0714       129.5761 878.0714       129.5761 0.000000       0.000000 171.8287 12.95354 ?        ?        0.000000       12.95354 
1 1 1 -3  30 3  o 325.6060 9.994526 3127.751       190.6297 3151.322       231.2589 3077.779       336.7217 326.3743 12.10277 320.8432 17.96661 5.531158       21.66278 
1 1 1 -3  30 4  o 505.2727 10.87309 7531.878       322.2030 6924.981       403.3990 8601.279       535.4855 483.2398 14.24938 537.3511 17.01323 -54.11127      22.19223 
1 1 1 -3  30 5  o 177.1111 12.91983 932.5006       133.2771 932.5006       133.2771 0.000000       0.000000 177.1111 12.91983 ?        ?        0.000000       12.91983 
1 1 1 -3  30 6  o 281.7814 10.85440 2345.774       179.0423 2457.576       218.6402 2118.185       311.9475 287.9731 12.97912 265.2892 20.20177 22.68387       24.01186 
1 1 1 -3  30 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  30 8  f 343.0612 9.747831 3470.651       195.9249 3470.651       195.9249 0.000000       0.000000 343.0612 9.747831 ?        ?        0.000000       9.747831 
1 1 1 -3  30 9  o 112.8338 20.59264 392.5674       131.2508 373.1268       147.2583 467.6867       289.4681 109.2591 23.66695 121.3074 37.17635 -12.04826      44.07046 
1 1 1 -3  30 10 o 324.5121 8.963137 3103.156       170.4218 3343.183       198.7837 2437.412       331.0581 336.6233 10.08035 284.7451 19.95052 51.87823       22.35256 
1 1 1 -3  30 11 o 107.9760 19.18910 358.2957       117.0633 268.3789       134.9625 631.4473       235.2312 92.56963 24.48625 141.2231 29.36012 -48.65345      38.23079 
1 1 1 -3  30 12 o 289.6609 15.15913 2497.101       256.6259 2492.125       304.8441 2509.205       475.4555 288.4703 18.11019 285.0019 28.84193 3.468384       34.05637 
1 1 1 -3  30 13 o 130.9341 15.55994 516.2756       117.1504 557.6858       139.8661 418.9322       214.4431 135.5716 18.03831 114.5497 31.11901 21.02196       35.96906 
1 1 1 -3  30 14 o 78.15902 23.95914 186.0645       120.2193 268.3122       137.1721 -86.35331      249.6444 92.43052 24.79415 67.86887 30.40400 24.56165       39.23204 
1 1 1 -3  30 15 o 194.3379 13.21079 1124.183       149.6743 949.2736       177.3688 1556.806       278.9491 177.5376 17.25206 226.4198 21.25536 -48.88222      27.37561 
1 1 1 -3  30 16 o 386.6479 7.607649 4399.962       172.5110 4098.748       214.2204 4955.693       290.9748 372.5987 9.811767 409.0042 12.14390 -36.40549      15.61234 
1 1 1 -3  30 17 o 404.1620 7.905828 4810.185       187.3930 4819.402       246.5165 4797.568       288.4161 403.7929 10.41837 402.2717 12.23925 1.521179       16.07301 
1 1 1 -3  30 18 o 226.7214 10.64310 1523.083       141.1228 1647.110       200.5556 1401.446       198.6142 234.7306 14.64140 216.1080 15.77946 18.62256       21.52584 
1 1 1 -3  30 19 o 175.0184 12.51838 913.6288       127.6454 797.5618       181.1281 1028.145       179.9137 161.4801 19.52142 184.5192 16.80977 -23.03908      25.76148 
1 1 1 -3  30 20 o 57.81448 22.65941 65.07306       111.8626 -6.750988      165.9435 124.8943       151.4442 59.51940 25.78375 71.26808 26.75536 -11.74868      37.15712 
1 1 1 -3  30 21 o 252.5533 9.572923 1887.786       141.5341 1977.042       210.8131 1814.539       190.9734 257.1176 14.03346 246.5541 13.25591 10.56351       19.30433 
1 1 1 -3  30 22 o 101.9332 18.77679 323.4406       108.1155 222.0525       195.9932 367.7868       129.6210 87.06780 30.76925 108.1259 21.19871 -21.05812      37.36485 
1 1 1 -3  30 23 o 307.9014 9.007456 2804.538       162.4790 3043.899       261.4284 2653.889       207.3996 318.8255 14.01560 298.5472 11.86891 20.27835       18.36595 
1 1 1 -3  30 24 o 66.81364 21.56925 135.2995       96.22881 179.6617       171.1997 114.8104       116.3477 79.40885 28.67822 65.24975 23.63121 14.15910       37.16012 
1 1 1 -3  30 25 o 128.9060 13.05038 502.0338       97.30363 492.8748       169.9685 506.4989       118.6748 123.5147 24.32980 128.5226 16.09653 -5.007927      29.17254 
1 1 1 -3  30 26 o 137.7377 18.46716 591.6088       145.4221 592.7353       163.4962 587.3421       318.1911 136.6909 21.07092 126.3636 39.02274 10.32733       44.34814 
1 1 1 -3  30 27 o 44.70370 17.96586 33.22660       72.01771 -176.6011      150.0508 96.02898       82.09086 43.63166 20.84966 57.53445 19.94326 -13.90279      28.85207 
1 1 1 -3  30 28 o 150.6858 10.65641 682.4904       93.56708 421.5307       161.8076 813.5894       114.6864 111.8713 25.26167 164.0674 12.00201 -52.19608      27.96785 
1 1 1 -3  30 29 o 75.00817 17.20942 180.7169       74.09475 104.7480       147.9037 206.1706       85.61246 65.77509 25.97108 79.74797 18.64106 -13.97289      31.96852 
1 1 1 -3  30 30 o 155.3220 10.13046 725.3689       91.77753 794.1058       166.2500 695.2388       110.0695 158.3608 18.23281 151.0622 12.53680 7.298630       22.12706 
1 1 1 -3  30 31 o 327.0417 8.584178 3190.477       164.5041 3463.647       262.0906 3012.901       211.3127 336.8139 13.29428 315.7404 11.43042 21.07343       17.53261 
1 1 1 -3  30 32 o 189.9199 9.073838 1081.558       100.7753 1132.462       105.5564 557.5179       338.6827 194.2432 9.292864 112.8974 40.39049 81.34576       41.44573 
1 1 1 -3  30 33 o 76.77782 18.80130 195.7049       83.97182 173.7744       86.87936 507.0003       327.3247 72.03809 19.90372 107.3953 39.52049 -35.35719      44.24960 
1 1 1 -3  30 34 f 119.4158 13.09810 442.7811       90.22833 414.4411       93.57292 818.0951       340.5240 114.9517 14.18009 134.8250 40.10899 -19.87324      42.54181 
1 1 1 -3  30 35 o 52.33532 20.08124 72.27741       86.44859 72.80308       88.76317 62.59044       381.0415 52.72148 20.31750 77.67352 35.84981 -24.95204      41.20691 
1 1 1 -3  30 36 o 66.62994 21.25372 151.2086       93.63468 117.2897       96.16853 769.5531       410.6078 60.56781 21.53874 118.2752 44.12609 -57.70740      49.10223 
1 1 1 -3  30 37 o 40.00807 18.38166 -46.89879      98.58270 -26.79277      102.3694 -303.6881      365.8436 42.61167 19.24624 62.44664 30.48294 -19.83497      36.05035 
1 1 1 -3  30 38 o 56.26782 21.48286 92.36673       98.61102 102.4047       101.9487 -53.45074      388.5645 58.10801 21.92241 71.07834 33.85002 -12.97033      40.32884 
1 1 1 -3  30 39 o 49.47251 21.64284 16.15277       119.3676 33.32454       123.3656 -235.9762      472.7133 51.79247 22.33314 69.76086 34.17945 -17.96839      40.82896 
1 1 1 -3  30 40 o 66.00948 25.23148 146.6367       136.1302 143.5052       141.5916 184.8975       494.9188 65.86617 25.58542 81.29401 38.56776 -15.42784      46.28267 
1 1 1 -3  31 1  o 183.0321 12.20327 994.1098       130.2465 937.5155       138.9441 1404.167       374.0041 177.4940 13.44774 211.7941 31.03031 -34.30000      33.81895 
1 1 1 -3  31 2  f 180.1854 12.53769 964.1997       131.6649 928.9680       143.1480 1157.742       335.5108 176.5828 13.93537 192.0425 30.83237 -15.45972      33.83533 
1 1 1 -3  31 3  o 288.8190 13.56204 2474.327       229.0797 2665.192       298.6515 2201.523       357.0495 298.7828 17.11510 269.5622 22.79852 29.22058       28.50788 
1 1 1 -3  31 4  o 367.6543 11.91333 3996.578       256.5368 4335.737       346.9992 3587.758       380.9714 381.8690 15.52638 346.1712 18.83607 35.69778       24.41036 
1 1 1 -3  31 5  o 440.8488 10.57333 5731.859       273.3706 5413.021       338.2458 6332.365       464.2003 427.4312 13.51019 460.8911 17.20361 -33.45993      21.87440 
1 1 1 -3  31 6  o 308.8343 13.04901 2826.523       235.8162 2826.523       235.8162 0.000000       0.000000 308.8343 13.04901 ?        ?        0.000000       13.04901 
1 1 1 -3  31 7  o 238.0883 12.46268 1680.273       173.4144 1531.456       201.0447 2112.818       342.7544 226.6649 15.21177 264.1176 22.33687 -37.45270      27.02469 
1 1 1 -3  31 8  o 355.2236 8.668159 3714.967       180.5840 3813.588       207.0583 3401.586       369.0998 359.5717 9.827975 336.9632 18.75111 22.60858       21.17057 
1 1 1 -3  31 9  o 111.9354 19.54452 385.2266       123.6389 318.0188       135.9441 706.8635       297.3949 100.7157 23.45410 147.7407 34.88490 -47.02500      42.03630 
1 1 1 -3  31 10 o 102.0661 35.93977 299.9941       267.2128 299.9941       267.2128 0.000000       0.000000 102.0661 35.93977 ?        ?        0.000000       35.93977 
1 1 1 -3  31 11 o 170.2911 12.95624 863.3818       128.4249 846.8235       149.9448 908.9700       248.7999 168.1234 15.37741 171.2155 25.55895 -3.092041      29.82825 
1 1 1 -3  31 12 o 119.5438 17.44695 435.1467       118.7160 381.1971       137.0421 597.3677       237.6366 110.6289 21.89730 136.5368 30.45213 -25.90788      37.50765 
1 1 1 -3  31 13 o 152.6326 15.46053 700.0880       136.4889 678.0032       144.9491 872.8795       405.4430 149.8592 16.78010 160.7772 42.39926 -10.91800      45.59900 
1 1 1 -3  31 14 o 368.0805 8.631125 3992.205       186.3206 4278.712       225.1405 3369.513       331.9116 380.5900 10.09554 335.4549 16.92557 45.13504       19.70773 
1 1 1 -3  31 15 o 475.5813 8.084775 6662.469       225.4983 6548.227       287.9702 6843.568       362.5695 470.7808 10.42986 480.1678 12.88666 -9.387054      16.57854 
1 1 1 -3  31 16 f 205.9441 13.33450 1265.172       160.1901 1215.750       191.1718 1381.675       293.5144 201.0042 16.35821 211.3681 24.10823 -10.36383      29.13413 
1 1 1 -3  31 17 o 214.1366 13.09951 1367.508       163.7244 1893.362       274.4179 1076.869       204.0126 250.0040 18.85505 188.2220 18.72975 61.78204       26.57662 
1 1 1 -3  31 18 o 224.4677 9.747272 1491.755       128.0121 1741.589       166.9671 1135.468       199.3907 242.0480 11.79747 193.5393 17.76448 48.50871       21.32503 
1 1 1 -3  31 19 o 145.1105 15.54152 636.9658       130.2067 573.6240       184.4776 699.8461       183.8044 134.7403 24.23610 150.2152 21.47402 -15.47496      32.38089 
1 1 1 -3  31 20 f 160.0731 12.53452 766.4144       116.7352 781.0032       163.6001 751.2825       166.6182 160.0655 17.72414 156.6969 18.48598 3.368546       25.61008 
1 1 1 -3  31 21 o 100.0952 19.35145 313.6531       109.4898 432.3940       159.3132 207.3661       150.7271 116.3266 24.14329 82.17866 27.02679 34.14796       36.24011 
1 1 1 -3  31 22 o 268.4729 8.947577 2133.591       140.6855 2350.229       207.8170 1950.316       191.1456 280.4884 12.66595 255.4108 12.80151 25.07753       18.00846 
1 1 1 -3  31 23 o 151.1010 13.29040 687.9891       116.5769 691.6464       195.5230 685.9719       145.2106 147.5605 23.37094 149.6859 16.83260 -2.125397      28.80169 
1 1 1 -3  31 24 o 53.89946 20.70347 65.29958       91.95606 173.2850       166.7027 18.07079       110.2462 77.56277 28.25790 50.93135 21.50836 26.63143       35.51223 
1 1 1 -3  31 25 o 111.7998 14.23741 383.0342       91.23698 168.6841       160.1583 486.0147       111.0107 75.94180 27.69305 125.7138 15.37646 -49.77197      31.67556 
1 1 1 -3  31 26 o 74.22887 18.67280 177.3479       81.20447 258.5145       148.2514 142.5576       97.05985 87.76991 26.54668 67.32671 21.65564 20.44321       34.25920 
1 1 1 -3  31 27 o 220.4323 8.891275 1447.824       114.7091 1334.248       176.0228 1531.660       151.2313 208.8859 14.45763 225.5595 11.46985 -16.67363      18.45483 
1 1 1 -3  31 28 o 120.2846 21.20517 472.1553       144.1256 422.9096       159.7807 687.1627       333.8618 111.5659 25.03638 130.3323 39.92229 -18.76636      47.12334 
1 1 1 -3  31 29 o 140.0426 18.48995 624.6668       148.1543 579.2565       162.7408 844.4622       358.0374 132.9247 21.61779 142.9383 40.73640 -10.01360      46.11706 
1 1 1 -3  31 30 o 102.6715 14.02247 328.0981       82.23133 193.5016       164.3217 373.0663       94.97974 77.05005 28.05774 109.0320 15.27165 -31.98190      31.94464 
1 1 1 -3  31 31 f 145.0705 11.13299 639.7979       93.99609 501.8463       176.9887 693.9932       110.9336 119.3971 26.01295 150.3372 12.70059 -30.94016      28.94786 
1 1 1 -3  31 32 o 75.82034 18.22466 189.9609       80.03300 182.3405       82.18924 329.5027       351.7065 74.04478 18.87328 93.17286 38.81847 -19.12807      43.16334 
1 1 1 -3  31 33 o 56.70216 19.86956 98.99666       81.60590 115.6930       83.88202 -196.1951      352.7036 60.04881 20.17420 66.52333 31.83651 -6.474525      37.69034 
1 1 1 -3  31 34 o 46.44563 19.21237 34.59462       85.28555 38.30578       87.52755 -35.07576      379.2397 47.36874 19.51580 73.51386 34.53496 -26.14512      39.66774 
1 1 1 -3  31 35 o 57.43203 20.70529 102.1046       89.19299 113.0053       91.54359 -102.0179      396.1382 59.51578 21.02896 71.30701 34.02004 -11.79123      39.99476 
1 1 1 -3  31 36 o 96.53990 18.63316 312.4398       101.6766 278.0283       105.1310 810.4125       399.9274 89.83585 20.41871 120.7627 43.80169 -30.92683      48.32713 
1 1 1 -3  31 37 o 64.61514 23.46210 139.6564       114.7869 200.3503       119.9088 -525.5999      396.9840 74.37780 24.08286 58.94934 29.32133 15.42846       37.94370 
1 1 1 -3  31 38 o 129.7447 20.67008 578.8521       152.0106 597.5508       157.2248 310.8785       595.1961 131.4552 21.10781 87.30456 41.66566 44.15069       46.70724 
1 1 1 -3  31 39 o 126.1031 20.61964 549.1948       147.2303 539.2942       151.5484 715.5405       621.1913 124.0459 21.61670 98.02531 45.42905 26.02058       50.30984 
1 1 1 -3  32 1  o 824.6031 14.97422 20181.08       724.1687 19135.91       935.8127 21741.20       1143.336 799.2529 19.96431 848.7277 22.99087 -49.47479      30.44920 
1 1 1 -3  32 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  32 3  o 418.5446 10.27237 5166.566       252.1522 4715.946       298.4186 6291.320       471.4646 399.0547 12.76739 459.0270 17.54529 -59.97229      21.69893 
1 1 1 -3  32 4  o 353.9167 12.92585 3711.678       267.8431 3711.678       267.8431 0.000000       0.000000 353.9167 12.92585 ?        ?        0.000000       12.92585 
1 1 1 -3  32 5  o 416.7065 18.01978 5193.438       439.3419 0.000000       0.000000 5193.438       439.3419 ?        ?        416.7065 18.01978 0.000000       18.01978 
1 1 1 -3  32 6  o 217.4650 15.08757 1411.147       191.2308 1411.147       191.2308 0.000000       0.000000 217.4650 15.08757 ?        ?        0.000000       15.08757 
1 1 1 -3  32 7  o 128.4788 16.64343 499.5957       122.4638 543.8270       132.5288 241.1296       320.3666 133.9797 17.26743 100.2254 38.60572 33.75428       42.29144 
1 1 1 -3  32 8  o 107.2411 21.29189 357.7348       129.1892 334.7029       141.8817 469.4612       312.4917 103.1185 23.92427 121.2182 38.84420 -18.09963      45.62064 
1 1 1 -3  32 9  f 432.0747 8.749425 5500.205       221.7118 5675.751       262.1629 5059.339       415.4593 438.5486 10.19302 411.2760 17.26280 27.27258       20.04749 
1 1 1 -3  32 10 o 87.28123 22.95367 239.1350       119.0400 126.2606       130.6219 792.2930       289.1631 69.45036 25.05426 156.7178 32.52727 -87.26742      41.05776 
1 1 1 -3  32 11 o 125.7747 16.86655 480.4245       121.2810 431.2421       137.5182 652.5790       257.2853 118.0599 20.61075 142.0907 31.68248 -24.03075      37.79660 
1 1 1 -3  32 12 o 242.0300 11.02543 1735.601       156.0894 1779.720       164.7208 1347.419       488.6016 244.9838 11.49671 199.0803 43.09959 45.90358       44.60661 
1 1 1 -3  32 13 f 301.8264 11.98167 2703.447       211.6710 2637.653       313.3562 2758.664       287.0648 295.8676 18.14616 303.4242 16.19028 -7.556610      24.31889 
1 1 1 -3  32 14 o 257.2895 9.241686 1956.325       139.2251 1820.116       165.2984 2288.850       258.2726 247.6518 11.41157 276.2498 16.00997 -28.59796      19.66070 
1 1 1 -3  32 15 o 207.9845 10.64022 1283.165       129.3560 1222.762       156.2461 1414.771       230.6313 202.3802 13.23673 216.0473 18.37621 -13.66708      22.64721 
1 1 1 -3  32 16 o 297.4190 8.487705 2611.546       147.8990 2672.968       184.6563 2501.635       247.0161 300.3647 10.49864 289.1749 14.61248 11.18979       17.99294 
1 1 1 -3  32 17 o 225.7346 13.10860 1521.266       172.7955 1705.038       209.9535 1135.452       304.2094 238.3477 15.09729 188.6793 28.36871 49.66841       32.13583 
1 1 1 -3  32 18 o 471.1868 8.034405 6548.211       222.0227 6954.986       297.8992 6039.931       332.9997 484.6200 10.48136 450.4583 12.61731 34.16168       16.40291 
1 1 1 -3  32 19 o 157.3865 13.67745 744.5724       124.9952 666.2203       158.8955 871.7710       202.4544 147.1872 18.83866 167.7767 21.03643 -20.58957      28.23874 
1 1 1 -3  32 20 o 271.3151 8.937269 2178.673       142.0156 2423.847       194.5679 1899.120       207.7617 285.2823 11.65362 251.5319 14.14081 33.75043       18.32401 
1 1 1 -3  32 21 o 51.46581 21.44506 25.55740       107.3606 -49.48169      157.5041 90.68105       146.7295 53.95035 24.16076 65.76105 25.89794 -11.81070      35.41814 
1 1 1 -3  32 22 o 52.62862 21.28368 44.23171       101.7684 -47.40996      150.8829 120.7186       137.8438 52.68246 23.61606 68.17835 25.54024 -15.49589      34.78537 
1 1 1 -3  32 23 o 212.5568 10.09210 1346.949       125.4483 1633.948       208.3948 1183.844       157.1018 231.7011 15.42368 197.8998 13.61888 33.80127       20.57581 
1 1 1 -3  32 24 o 165.0964 10.93956 817.8747       105.3251 792.0936       174.0408 832.7729       132.3025 158.8828 19.05757 165.5235 13.75293 -6.640610      23.50179 
1 1 1 -3  32 25 o 112.8528 14.07373 391.7716       91.12885 136.7004       155.4254 525.3922       112.4936 70.78733 26.98411 130.5490 14.96285 -59.76171      30.85497 
1 1 1 -3  32 26 o 213.6650 8.948092 1361.431       111.8799 1338.935       175.4936 1376.834       145.2161 209.1505 14.39490 213.6519 11.63319 -4.501419      18.50795 
1 1 1 -3  32 27 o 110.0386 13.42021 372.8881       84.81791 210.0287       156.7256 440.3435       100.8654 79.69142 27.55957 119.1398 14.75037 -39.44836      31.25866 
1 1 1 -3  32 28 o 146.9557 11.01509 653.2753       94.24396 553.9681       167.2853 699.4495       114.0688 128.9291 22.96574 151.2037 12.98909 -22.27463      26.38450 
1 1 1 -3  32 29 o 252.6346 8.918254 1908.924       131.9294 1681.336       196.1326 2096.994       178.2932 233.4311 14.39656 263.0517 11.58537 -29.62061      18.47922 
1 1 1 -3  32 30 f 98.19627 14.76983 303.9973       82.42732 312.2787       158.2905 300.9162       96.55091 92.93166 27.26897 96.27096 17.75452 -3.339294      32.53951 
1 1 1 -3  32 31 o 120.9641 12.87442 452.5797       89.93288 533.6498       181.9859 426.3846       103.4469 122.5509 26.11950 116.0030 15.60051 6.547974       30.42374 
1 1 1 -3  32 32 o 119.3808 11.59871 437.6152       80.18485 441.1622       82.00132 360.2031       383.0825 119.7611 11.82926 94.01117 39.91449 25.74991       41.63049 
1 1 1 -3  32 33 o 54.95501 20.04860 89.68996       83.95443 92.43340       85.85940 29.91511       400.7749 55.62406 20.27752 77.09577 35.98519 -21.47171      41.30511 
1 1 1 -3  32 34 o 63.14925 21.07260 133.2259       91.53776 165.2380       93.79509 -507.9359      419.7653 69.24979 21.15041 61.93700 30.69431 7.312790       37.27574 
1 1 1 -3  32 35 o 71.46513 21.23136 177.9456       95.46682 214.5521       97.76241 -574.1910      443.1400 78.46260 20.87982 61.83524 30.79306 16.62736       37.20456 
1 1 1 -3  32 36 o 76.83719 24.42024 216.1794       123.7059 267.8721       128.3709 -456.5405      463.0935 85.20084 24.42798 64.87760 32.16700 20.32323       40.39111 
1 1 1 -3  32 37 o 148.8692 20.80105 761.2614       176.6592 754.6119       188.5699 808.9659       505.0761 146.2458 22.72295 107.9927 45.84023 38.25312       51.16306 
1 1 1 -3  32 38 o 49.52643 22.61619 -30.04759      146.2164 -3.505992      152.1805 -348.8928      527.4548 52.37357 23.57759 69.37224 34.38394 -16.99867      41.69122 
1 1 1 -3  33 1  o 404.0183 17.40388 4884.287       411.4128 0.000000       0.000000 4884.287       411.4128 ?        ?        404.0183 17.40388 0.000000       17.40388 
1 1 1 -3  33 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  33 3  o 198.9266 20.13391 1200.802       231.6631 1200.802       231.6631 0.000000       0.000000 198.9266 20.13391 ?        ?        0.000000       20.13391 
1 1 1 -3  33 4  o 388.4703 10.43397 4458.711       237.5006 4515.421       292.8551 4349.750       405.9357 390.1925 12.81483 380.7696 18.23089 9.422943       22.28420 
1 1 1 -3  33 5  o 437.8087 14.64346 5703.713       375.4629 5703.713       375.4629 0.000000       0.000000 437.8087 14.64346 ?        ?        0.000000       14.64346 
1 1 1 -3  33 6  o 198.7175 11.87813 1172.617       137.7996 1172.617       137.7996 0.000000       0.000000 198.7175 11.87813 ?        ?        0.000000       11.87813 
1 1 1 -3  33 7  o 390.9105 10.65111 4518.159       243.9595 4673.568       305.6541 4245.381       404.9446 396.7290 13.15488 375.8426 18.42744 20.88638       22.64115 
1 1 1 -3  33 8  f 455.9781 8.587982 6127.835       229.6601 5998.317       260.1129 6585.854       489.1442 450.7780 9.838948 468.4929 17.83517 -17.71494      20.36905 
1 1 1 -3  33 9  o 157.1031 13.99364 739.4520       127.5856 694.9610       136.8936 1033.642       352.0150 151.8736 15.59027 177.6389 35.03413 -25.76537      38.34641 
1 1 1 -3  33 10 o 329.2362 10.73586 3209.201       207.0208 3160.342       249.6083 3316.879       370.5524 325.9648 13.08341 331.3171 19.15183 -5.352234      23.19414 
1 1 1 -3  33 11 o 201.9523 11.11026 1210.877       131.0832 1154.155       147.5170 1423.754       285.7788 196.7383 12.85547 214.9231 23.03108 -18.18478      26.37601 
1 1 1 -3  33 12 o 267.5717 9.315662 2116.431       145.9625 2013.698       169.5098 2411.071       287.0686 260.5426 11.11899 282.8652 17.38840 -22.32260      20.63949 
1 1 1 -3  33 13 o 169.0301 13.24659 854.8853       130.2680 775.6363       147.5972 1134.176       277.0829 160.2355 15.91631 190.2392 25.47442 -30.00369      30.03789 
1 1 1 -3  33 14 o 172.9109 13.99239 896.8536       140.6830 818.2863       150.4406 1444.257       397.0979 164.6067 15.77645 210.3695 33.29267 -45.76280      36.84153 
1 1 1 -3  33 15 o 124.2846 27.91190 500.5771       198.4613 529.6964       250.3162 451.2925       325.6523 126.0696 33.34712 117.2228 39.74992 8.846832       51.88531 
1 1 1 -3  33 16 o 64.71257 26.28501 65.72351       155.9939 -53.16624      178.8759 443.2868       318.7679 57.86555 25.84277 115.9967 39.32757 -58.13118      47.05855 
1 1 1 -3  33 17 f 256.3264 9.596485 1946.516       144.0086 1932.234       175.3881 1976.069       252.2905 254.7295 11.77189 255.5517 16.92881 -0.8222198     20.61946 
1 1 1 -3  33 18 o 189.5471 11.85974 1072.938       131.1780 1134.730       165.3820 968.1118       215.4042 194.0486 14.64005 176.5232 21.23241 17.52536       25.79042 
1 1 1 -3  33 19 o 165.2611 14.49702 825.5557       139.0858 821.0366       188.6193 830.9412       205.9104 162.5695 20.21888 162.6746 22.15826 -0.1050415     29.99652 
1 1 1 -3  33 20 f 32.25616 16.09841 -316.0064      123.9645 -380.7888      182.5340 -260.5501      168.8849 41.45864 20.49060 43.59226 21.14970 -2.133617      29.44783 
1 1 1 -3  33 21 o 61.69827 22.33589 104.3817       103.9286 67.34912       141.0257 148.3997       153.7522 61.70013 25.01754 73.06856 27.05089 -11.36843      36.84600 
1 1 1 -3  33 22 o 122.7699 14.42729 461.7673       101.8986 386.8859       143.2730 538.4166       144.9545 108.7077 23.18071 130.5340 19.53430 -21.82621      30.31392 
1 1 1 -3  33 23 o 127.6925 13.01120 496.6082       96.07922 443.5164       141.1630 542.4302       131.1427 117.0488 21.35023 131.6715 17.40862 -14.62263      27.54800 
1 1 1 -3  33 24 o 104.4635 14.55386 338.0760       86.74713 422.1186       141.6351 287.6250       109.7378 113.4432 22.08307 93.88389 20.50577 19.55928       30.13550 
1 1 1 -3  33 25 o 200.1038 8.875798 1194.797       103.9038 1210.638       152.5376 1181.084       141.9205 199.4165 13.11544 197.3834 12.32127 2.033173       17.99523 
1 1 1 -3  33 26 o 103.9671 14.64614 336.7216       86.83202 58.31084       151.3716 473.2653       106.0076 60.78598 25.40648 123.4089 14.95124 -62.62291      29.47930 
1 1 1 -3  33 27 o 84.72636 17.12419 231.1129       82.15984 160.0563       154.8734 258.9420       96.92237 72.40252 27.08234 88.92767 19.15050 -16.52515      33.16918 
1 1 1 -3  33 28 o 46.48780 18.60167 42.17805       76.85529 -74.99618      152.4363 82.11533       88.99419 49.21925 22.70186 54.90461 20.53107 -5.685356      30.60881 
1 1 1 -3  33 29 o 103.7370 26.61045 386.8871       162.6711 386.8871       162.6711 0.000000       0.000000 103.7370 26.61045 ?        ?        0.000000       26.61045 
1 1 1 -3  33 30 f 140.3336 12.33784 605.7434       100.5106 464.5255       172.6777 678.1057       123.6083 113.6865 26.40526 147.2667 14.49959 -33.58019      30.12434 
1 1 1 -3  33 31 o 44.34731 18.81512 18.63026       85.01901 -139.9639      177.8738 65.59118       96.79136 48.86755 23.16562 52.82924 20.96200 -3.961693      31.24182 
1 1 1 -3  33 32 o 181.5988 9.023870 993.8976       95.80620 1009.189       98.41316 716.6832       419.0184 182.8941 9.204519 114.6198 44.15112 68.27435       45.10038 
1 1 1 -3  33 33 o 41.23108 18.18366 -6.219487      85.82379 5.668353       87.71075 -273.6238      415.9926 43.00465 18.68666 67.16509 32.72412 -24.16044      37.68367 
1 1 1 -3  33 34 o 114.9461 14.80030 421.5723       97.46055 424.5695       100.0433 365.7627       431.7069 115.1199 15.18807 90.39605 40.27378 24.72389       43.04248 
1 1 1 -3  33 35 o 86.30782 21.01130 261.3242       105.3408 253.6216       108.0383 409.8211       474.3705 84.57182 21.68219 90.95603 41.22169 -6.384216      46.57623 
1 1 1 -3  33 36 o 164.3396 13.87038 853.3547       132.4376 852.5346       137.0308 864.9765       515.8461 163.7989 14.41128 110.0621 46.50444 53.73678       48.68622 
1 1 1 -3  33 37 o 51.09892 22.16745 28.95121       123.0136 47.35154       126.5105 -290.1534      526.8419 53.45419 22.82425 70.40018 34.79781 -16.94599      41.61531 
1 1 1 -3  34 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  34 2  o 265.8412 13.16408 2103.371       204.6022 1973.634       243.3868 2415.947       377.7842 256.4938 16.26342 280.7813 23.14709 -24.28748      28.28933 
1 1 1 -3  34 3  o 471.6536 10.83867 6579.506       299.8126 6451.244       372.7177 6814.647       504.6553 465.6724 13.66214 476.0605 18.10817 -10.38809      22.68392 
1 1 1 -3  34 4  o 397.4975 14.83851 4715.311       345.3124 4715.311       345.3124 0.000000       0.000000 397.4975 14.83851 ?        ?        0.000000       14.83851 
1 1 1 -3  34 5  o 110.3395 21.75600 381.4391       135.7806 381.4391       135.7806 0.000000       0.000000 110.3395 21.75600 ?        ?        0.000000       21.75600 
1 1 1 -3  34 6  o 326.2101 10.89513 3152.298       208.1473 3353.583       253.5083 2735.861       364.6383 335.8002 12.89641 299.8209 20.86743 35.97937       24.53094 
1 1 1 -3  34 7  o 272.3087 13.49290 2210.516       214.8140 2210.516       214.8140 0.000000       0.000000 272.3087 13.49290 ?        ?        0.000000       13.49290 
1 1 1 -3  34 8  o 143.5328 15.11341 621.5150       125.3155 581.6589       134.2785 890.5159       348.8482 138.3161 16.90410 162.7123 37.34833 -24.39619      40.99569 
1 1 1 -3  34 9  o 402.2394 8.783707 4774.438       207.2111 4894.246       239.0507 4412.403       415.5508 406.8713 10.01803 382.1236 18.59842 24.74765       21.12492 
1 1 1 -3  34 10 o 315.3629 8.957366 2938.308       165.5013 2899.241       183.4419 3109.235       383.7100 312.9680 10.00707 319.3994 20.59394 -6.431396      22.89654 
1 1 1 -3  34 11 o 275.9564 17.07404 2297.048       274.9762 2418.151       305.7045 1783.867       629.3020 282.4586 18.55704 221.3115 49.70325 61.14716       53.05447 
1 1 1 -3  34 12 o 393.8655 8.299767 4576.646       191.7187 4786.491       234.4501 4153.102       333.0814 402.2675 9.937676 372.2232 15.29051 30.04437       18.23615 
1 1 1 -3  34 13 o 168.6740 13.58427 853.4654       133.2445 790.1235       150.4099 1084.431       287.2131 161.5168 16.09235 184.5496 27.36398 -23.03276      31.74510 
1 1 1 -3  34 14 o 91.08818 24.56229 266.0438       134.1908 295.6046       147.5572 124.6973       322.6598 95.74935 25.72933 88.98979 37.13643 6.759560       45.17868 
1 1 1 -3  34 15 o 236.3571 9.811202 1656.809       135.7051 1388.631       158.5531 2391.385       262.4110 215.5456 12.59744 281.5655 15.95634 -66.01990      20.32979 
1 1 1 -3  34 16 o 239.9379 11.66275 1716.617       163.6241 1577.652       211.3367 1924.578       258.5312 228.3811 15.87731 251.4738 17.64143 -23.09262      23.73413 
1 1 1 -3  34 17 f 222.8832 15.45551 1503.149       200.7765 1579.259       263.2026 1397.224       310.5066 226.1484 20.05242 209.1990 25.85806 16.94937       32.72214 
1 1 1 -3  34 18 o 265.0698 10.28139 2090.751       159.5284 2002.628       176.7108 2478.931       370.8818 258.8726 11.66929 281.0501 22.69380 -22.17755      25.51825 
1 1 1 -3  34 19 o 155.7924 12.95906 733.0798       117.3339 660.3148       144.4982 873.9266       201.0365 146.1960 17.18050 166.4779 21.06109 -20.28191      27.17975 
1 1 1 -3  34 20 o 272.3328 8.486012 2200.959       135.3704 2283.502       172.4873 2068.586       218.4339 276.4546 10.65853 261.1572 14.31634 15.29739       17.84830 
1 1 1 -3  34 21 o 265.2346 8.680758 2091.428       134.8506 2039.359       175.0774 2167.374       211.4438 260.5806 11.48433 267.4385 13.52486 -6.857941      17.74293 
1 1 1 -3  34 22 o 110.3160 15.95793 379.9480       100.2482 299.9171       138.2265 468.7523       145.6060 94.27065 24.70682 120.0816 21.46316 -25.81091      32.72757 
1 1 1 -3  34 23 o 108.5837 14.59693 365.6456       90.60345 284.2730       128.9401 445.0114       127.3402 91.83202 23.76125 117.8933 19.06793 -26.06123      30.46609 
1 1 1 -3  34 24 o 34.21920 15.94104 -63.28477      78.03516 -85.38629      126.0271 -49.54208      99.37765 43.92347 20.39259 40.91329 18.66853 3.010181       27.64727 
1 1 1 -3  34 25 o 153.4180 10.61177 710.2628       94.89217 673.6735       141.0610 740.5070       128.2479 146.3916 16.73017 154.9348 14.27438 -8.543228      21.99219 
1 1 1 -3  34 26 o 85.98103 17.56623 239.4267       85.58315 231.3058       135.6102 244.8019       110.3296 81.81711 25.50978 85.10356 21.95898 -3.286453      33.65926 
1 1 1 -3  34 27 o 92.27986 15.94055 271.9355       83.15172 386.0577       140.0552 209.8105       103.3349 106.1499 23.15075 78.59139 21.70413 27.55854       31.73368 
1 1 1 -3  34 28 o 68.60872 25.89610 144.9057       142.2948 166.2648       158.4600 55.95112       323.3793 72.28324 27.31758 75.57242 34.16332 -3.289177      43.74223 
1 1 1 -3  34 29 o 88.61475 18.25038 259.0955       91.68835 232.0553       158.0127 272.8215       112.5795 80.45891 27.67908 89.11464 21.73758 -8.655731      35.19452 
1 1 1 -3  34 30 o 53.44781 20.41028 77.02851       89.02158 27.52670       169.2806 95.95149       104.6626 58.48649 25.67458 58.13026 22.14715 0.3562241      33.90694 
1 1 1 -3  34 31 o 64.48311 20.78786 139.8130       89.40308 77.11079       164.9810 165.8807       106.3761 61.99341 26.25185 69.39359 22.69847 -7.400185      34.70418 
1 1 1 -3  34 32 o 97.84685 15.30659 308.1397       84.96010 318.0599       86.68180 65.83208       428.4023 99.40508 15.36343 78.23172 36.73675 21.17336       39.81989 
1 1 1 -3  34 33 o 140.3123 12.23145 610.9440       99.64741 585.8961       102.1673 1100.018       451.4539 136.9902 12.86727 136.7388 46.79397 0.2514343      48.53084 
1 1 1 -3  34 34 o 106.9304 18.45298 383.5808       111.5420 395.6409       114.3308 145.3806       508.1104 108.4965 18.63933 81.61725 38.82354 26.87928       43.06613 
1 1 1 -3  34 35 o 73.48969 23.49275 196.2050       114.3539 218.2188       116.8728 -298.0338      553.7758 77.17065 23.61712 71.91095 35.56854 5.259697       42.69530 
1 1 1 -3  34 36 o 54.96920 22.30834 75.99927       112.2519 109.5497       114.6921 -687.3723      547.0820 59.66892 23.06842 64.36828 32.36423 -4.699356      39.74412 
1 1 1 -3  35 1  o 235.3828 9.896329 1640.608       136.3105 1697.628       148.2386 1328.460       346.8380 239.2782 10.58972 203.8022 29.90729 35.47600       31.72677 
1 1 1 -3  35 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  35 3  o 155.4785 25.61283 763.6737       225.4240 763.6737       225.4240 0.000000       0.000000 155.4785 25.61283 ?        ?        0.000000       25.61283 
1 1 1 -3  35 4  o 196.6944 11.37930 1150.531       130.7073 1125.040       140.3959 1316.334       358.0615 194.2454 12.38861 201.9835 31.23353 -7.738113      33.60076 
1 1 1 -3  35 5  o 249.3974 12.01710 1850.389       175.2517 1780.342       199.0068 2092.372       369.8844 244.0086 13.96463 259.5589 24.59181 -15.55026      28.28017 
1 1 1 -3  35 6  o 137.3371 17.68809 576.4481       139.1640 576.4481       139.1640 0.000000       0.000000 137.3371 17.68809 ?        ?        0.000000       17.68809 
1 1 1 -3  35 7  o 146.5244 14.55988 647.1160       123.4640 657.3913       133.0445 583.3802       331.3537 147.3949 15.62879 130.6303 39.72487 16.76451       42.68869 
1 1 1 -3  35 8  o 106.9381 21.33689 359.9216       129.1251 415.5180       138.6475 -3.620528      354.5408 115.0996 21.32450 84.51009 37.12556 30.58951       42.81403 
1 1 1 -3  35 9  o 275.8230 9.262882 2250.717       149.6272 2358.806       166.0433 1783.736       345.1275 282.1571 10.05018 238.8846 25.00432 43.27251       26.94851 
1 1 1 -3  35 10 f 102.7135 30.71154 343.8528       199.2567 75.31590       245.0117 868.3531       342.4188 77.30583 32.31813 159.3990 37.29477 -82.09315      49.34938 
1 1 1 -3  35 11 o 217.1544 11.77536 1405.297       149.4051 1451.748       154.9068 785.9861       565.6248 220.6518 12.01585 145.5618 52.18299 75.09000       53.54853 
1 1 1 -3  35 12 o 263.2603 9.680138 2054.336       149.2029 2052.305       171.8732 2060.546       300.5750 262.6604 11.18299 259.2384 19.92252 3.421997       22.84658 
1 1 1 -3  35 13 o 227.6926 11.85501 1547.021       157.7621 1539.138       164.6211 1635.746       552.2960 226.9204 12.41709 211.1406 45.91272 15.77972       47.56219 
1 1 1 -3  35 14 o 244.7167 9.925420 1778.424       142.1546 1690.930       167.4728 2003.965       268.8867 237.9052 12.04216 256.2087 18.00945 -18.30345      21.66458 
1 1 1 -3  35 15 o 110.1853 22.26892 388.7557       138.9482 302.4486       153.2839 786.5015       329.0607 95.96351 26.40795 148.8779 37.66497 -52.91439      46.00033 
1 1 1 -3  35 16 o 310.9728 9.154012 2869.504       166.7675 2914.107       186.7703 2694.093       370.3878 312.9435 10.18992 293.4909 21.67134 19.45258       23.94747 
1 1 1 -3  35 17 o 234.8803 9.399337 1640.984       129.2160 1507.360       155.9925 1933.132       230.6545 224.1350 11.90983 251.8632 15.69314 -27.72816      19.70073 
1 1 1 -3  35 18 o 217.6529 9.785213 1412.792       124.5871 1463.198       150.7533 1304.193       221.2765 220.7287 11.68713 204.6631 18.63939 16.06552       22.00036 
1 1 1 -3  35 19 o 285.5626 9.408146 2430.008       157.3485 2595.793       182.8624 1957.133       308.8333 294.5219 10.60390 248.0530 21.43922 46.46890       23.91825 
1 1 1 -3  35 20 o 76.40086 22.89888 191.7739       110.6735 244.6962       138.6260 98.75233       183.7879 85.25495 25.64520 69.34673 28.39317 15.90823       38.26027 
1 1 1 -3  35 21 f 67.70488 21.92097 146.2425       99.34774 89.79936       125.8989 239.3931       161.7369 61.34924 24.04074 84.19576 28.00850 -22.84651      36.91115 
1 1 1 -3  35 22 o 293.1009 7.987480 2553.991       137.1742 2483.528       176.9217 2660.194       217.2038 287.5982 10.50691 296.2132 12.53126 -8.615021      16.35322 
1 1 1 -3  35 23 o 114.6000 14.06330 406.6350       92.54051 419.1266       135.1889 395.6207       126.9440 112.8286 21.20852 109.9624 20.43625 2.866211       29.45236 
1 1 1 -3  35 24 f 47.24476 19.45750 33.35370       86.96281 88.20537       133.2069 -7.388367      114.8030 61.39735 24.51567 47.96254 21.09611 13.43481       32.34292 
1 1 1 -3  35 25 o 59.59132 20.69253 109.4371       88.39303 1.992390       132.1224 196.4950       118.9292 51.76116 22.70351 75.94758 23.91985 -24.18642      32.97891 
1 1 1 -3  35 26 o 125.7062 12.99049 488.3712       94.39264 329.0651       139.7750 621.9368       127.9854 96.75125 24.58641 140.3645 15.82260 -43.61327      29.23775 
1 1 1 -3  35 27 o 71.49431 25.69420 169.3862       137.2273 201.1877       146.8059 -50.73368      386.2332 76.26793 26.65555 74.76019 35.03487 1.507744       44.02227 
1 1 1 -3  35 28 o 102.9794 15.75226 339.1311       92.11646 307.2975       147.5389 359.4682       117.9254 91.87173 26.13920 103.5191 20.14907 -11.64740      33.00368 
1 1 1 -3  35 29 o 57.88306 24.36977 61.07789       140.8395 36.29874       151.8263 213.9367       377.0936 56.88283 24.65205 84.24313 37.57935 -27.36030      44.94365 
1 1 1 -3  35 30 o 49.76977 20.33960 49.13678       94.09489 67.52792       169.9370 41.00521       112.9980 61.47637 26.35599 51.68131 21.79748 9.795059       34.20187 
1 1 1 -3  35 31 o 89.95673 27.73744 311.1098       160.8357 306.7177       171.3518 343.6333       466.2862 88.63301 28.79604 89.87799 40.78698 -1.244980      49.92785 
1 1 1 -3  35 32 o 70.88078 19.12873 172.0736       81.34782 184.9242       82.69568 -212.5300      452.4053 73.51744 19.03240 70.10169 34.14850 3.415749       39.09415 
1 1 1 -3  35 33 o 71.53978 21.04171 180.2662       94.15483 200.9532       95.95960 -354.2306      487.7675 75.48227 20.94204 67.93616 33.56193 7.546112       39.55973 
1 1 1 -3  35 34 o 103.5846 18.91901 363.8062       110.6991 400.7858       113.1230 -471.4651      537.6303 109.2888 18.29530 67.91893 33.83795 41.36983       38.46719 
1 1 1 -3  35 35 o 57.44103 22.42084 97.31033       109.1485 112.4488       111.6294 -231.9651      520.6156 59.78523 22.84933 70.92527 34.96984 -11.14004      41.77298 
1 1 1 -3  36 1  o 50.77892 24.55003 -325.1361      222.5048 -325.1361      222.5048 0.000000       0.000000 50.77892 24.55003 ?        ?        0.000000       24.55003 
1 1 1 -3  36 2  o 105.3738 28.70983 362.0672       182.2126 359.8101       214.6109 367.8961       344.8820 104.9702 31.97974 109.8406 40.54109 -4.870415      51.63607 
1 1 1 -3  36 3  o 361.3474 10.42520 3870.539       220.7017 3816.756       266.6667 3987.482       393.2166 357.8841 12.72529 362.5893 18.55293 -4.705170      22.49765 
1 1 1 -3  36 4  o 111.1665 32.01989 408.7852       220.0790 408.7852       220.0790 0.000000       0.000000 111.1665 32.01989 ?        ?        0.000000       32.01989 
1 1 1 -3  36 5  f 135.9254 20.36198 573.9291       157.3290 575.1240       176.4690 569.2999       347.3481 135.0337 23.11367 128.2852 40.93702 6.748520       47.01151 
1 1 1 -3  36 6  o 250.3225 11.69174 1865.801       171.1701 1761.506       193.7285 2237.028       365.4949 242.5311 13.67535 268.2435 23.46896 -25.71236      27.16261 
1 1 1 -3  36 7  o 272.2305 9.545149 2195.581       152.1589 2183.084       167.7524 2253.582       361.3931 271.1413 10.56952 269.2967 23.10533 1.844635       25.40809 
1 1 1 -3  36 8  o 268.9629 14.49219 2173.029       227.7562 2156.525       278.6026 2206.280       395.4539 266.2614 17.94612 264.3628 25.83555 1.898651       31.45694 
1 1 1 -3  36 9  o 195.3683 12.48692 1142.234       142.3248 1092.814       154.9310 1409.379       360.2150 190.6003 13.95679 207.6543 30.48521 -17.05400      33.52820 
1 1 1 -3  36 10 o 177.9081 14.08837 954.0506       145.7972 954.0506       145.7972 0.000000       0.000000 177.9081 14.08837 ?        ?        0.000000       14.08837 
1 1 1 -3  36 11 o 319.5969 9.895776 3031.950       185.2590 3040.462       195.5798 2957.627       577.9303 319.8265 10.44098 297.4554 33.72292 22.37109       35.30225 
1 1 1 -3  36 12 o 220.2264 10.41078 1444.194       134.0825 1440.685       151.8531 1456.607       285.6347 219.4694 11.84160 215.0146 23.00855 4.454742       25.87696 
1 1 1 -3  36 13 o 102.5490 21.74193 338.2367       126.6986 226.7121       136.6828 1019.029       337.7039 83.68948 25.52646 171.1695 34.82669 -87.48006      43.17984 
1 1 1 -3  36 14 o 102.4090 22.17877 339.8493       129.3440 296.4077       139.2401 613.2831       349.3314 94.73545 24.78198 127.7638 41.08267 -33.02836      47.97846 
1 1 1 -3  36 15 o 154.8391 13.41909 727.2972       120.6562 644.1312       139.4642 974.7705       240.5768 144.2903 16.79420 173.4379 24.31884 -29.14763      29.55420 
1 1 1 -3  36 16 o 115.9638 17.68920 422.5214       116.5018 291.9713       139.0515 730.0038       213.4013 93.40479 24.92240 148.6049 25.39742 -55.20009      35.58307 
1 1 1 -3  36 17 o 48.73528 21.18380 -1.781523      112.7969 -21.58634      138.4964 37.23595       194.3939 51.77348 22.95325 65.30192 28.09528 -13.52844      36.27942 
1 1 1 -3  36 18 o 151.1803 13.36832 697.3146       117.3082 681.6716       141.8202 731.2054       208.7470 147.9186 16.63610 148.2348 24.89300 -0.3162384     29.94029 
1 1 1 -3  36 19 o 140.8267 13.62219 607.7006       111.1047 616.3939       133.4499 588.0629       200.5720 140.4598 16.51524 130.8305 27.03484 9.629379       31.68021 
1 1 1 -3  36 20 o 172.1049 11.75869 897.1252       117.9739 963.5334       147.4928 779.1792       196.5628 177.0520 14.32656 154.1249 22.40133 22.92709       26.59078 
1 1 1 -3  36 21 o 165.2056 12.27199 830.3372       118.0531 892.6410       145.0272 707.9791       203.2399 170.0237 14.68807 144.7844 24.82849 25.23936       28.84776 
1 1 1 -3  36 22 o 150.4413 15.40637 705.7090       134.0129 818.5438       251.2027 660.8197       158.4435 151.4072 29.34939 143.1407 19.37051 8.266418       35.16537 
1 1 1 -3  36 23 o 44.49524 19.32022 1.769164       93.61734 40.01015       137.7350 -31.06722      127.6314 56.39152 23.93753 48.07749 21.62230 8.314030       32.25724 
1 1 1 -3  36 24 o 71.41358 20.98035 171.4149       93.65224 231.3747       135.4118 116.4375       129.6637 81.17700 25.51773 64.02634 24.58679 17.15066       35.43536 
1 1 1 -3  36 25 o 47.91800 20.09286 29.64672       95.13966 91.19147       140.0067 -23.15508      129.6814 61.75613 24.96797 48.80673 21.88517 12.94940       33.20181 
1 1 1 -3  36 26 o 60.03535 21.40453 111.8296       95.03188 89.80019       152.0227 125.9596       121.7527 62.58593 25.74574 64.23422 24.01542 -1.648296      35.20772 
1 1 1 -3  36 27 o 65.87727 25.32831 131.8802       137.7184 127.5055       147.5301 161.5261       384.0500 66.05964 25.98283 82.31084 37.21794 -16.25121      45.39034 
1 1 1 -3  36 28 o 136.4968 18.37821 611.8268       143.3867 602.0134       152.5728 686.0388       419.5697 134.1131 20.00920 111.8751 43.87329 22.23801       48.22068 
1 1 1 -3  36 29 o 92.07105 18.46148 283.8317       96.21439 180.3999       151.4637 353.8029       124.5780 72.07964 26.81792 100.8287 21.70988 -28.74905      34.50391 
1 1 1 -3  36 30 o 70.15805 19.92494 169.4511       85.80466 109.7736       150.5464 198.1649       104.4264 63.38238 25.79330 74.82962 22.19891 -11.44724      34.03067 
1 1 1 -3  36 31 o 79.60923 18.91425 216.5448       86.99516 85.98896       184.9380 253.6429       98.58341 63.68187 27.40092 85.66086 19.98987 -21.97899      33.91763 
1 1 1 -3  36 32 o 104.1870 15.55820 352.2837       92.15731 360.9662       93.74275 102.0896       503.2139 105.4355 15.63285 79.72062 38.11859 25.71490       41.19967 
1 1 1 -3  36 33 o 135.3544 13.40930 578.2303       105.0483 520.0748       106.9948 2133.122       553.2444 127.5134 14.56838 193.6207 48.75727 -66.10733      50.88722 
1 1 1 -3  37 1  o 141.4923 16.72353 612.4514       136.0961 531.4506       144.0397 1286.659       415.5609 130.7488 19.36924 192.6189 38.13611 -61.87004      42.77301 
1 1 1 -3  37 2  o 209.0564 11.24058 1302.895       137.3102 1327.299       147.3842 1142.467       377.8873 210.7807 11.97179 182.2578 36.62504 28.52295       38.53203 
1 1 1 -3  37 3  o 223.1023 11.76803 1485.863       153.4333 1485.863       153.4333 0.000000       0.000000 223.1023 11.76803 ?        ?        0.000000       11.76803 
1 1 1 -3  37 4  o 206.7119 13.64367 1284.366       164.4795 1062.925       184.4773 2142.839       363.2265 186.6713 17.03820 261.1346 23.98484 -74.46324      29.42062 
1 1 1 -3  37 5  o 123.3595 18.14473 471.6173       127.3539 404.9441       135.9213 951.0384       364.4774 113.0239 21.28608 164.0950 38.53430 -51.07117      44.02260 
1 1 1 -3  37 6  o 301.9028 22.48036 2843.374       395.1777 0.000000       0.000000 2843.374       395.1777 ?        ?        301.9028 22.48036 0.000000       22.48036 
1 1 1 -3  37 7  o 261.5569 9.648375 2031.346       147.7495 1940.260       160.7482 2527.198       375.0555 255.2293 10.76319 284.1123 22.69754 -28.88297      25.12020 
1 1 1 -3  37 8  o 52.44184 22.35683 12.26169       121.0435 -39.54269      129.6091 365.7851       338.5801 49.16403 21.97440 106.4587 39.99693 -57.29468      45.63583 
1 1 1 -3  37 9  o 76.62802 23.37805 187.2893       114.6347 130.4865       121.8038 627.6579       339.1440 67.74863 24.22398 130.5123 40.28416 -62.76371      47.00653 
1 1 1 -3  37 10 o 166.7969 13.24667 840.7180       128.5186 816.5571       138.7616 986.4820       340.8304 163.8541 14.59231 166.8155 35.90227 -2.961365      38.75446 
1 1 1 -3  37 11 o 294.8861 8.593765 2579.940       148.4653 2625.651       170.1939 2434.423       303.6614 296.9791 9.785003 280.5398 18.56065 16.43924       20.98199 
1 1 1 -3  37 12 o 154.8669 13.16443 727.0491       118.4349 676.6965       132.8885 921.4828       261.1332 148.4421 15.49218 166.0694 27.79283 -17.62735      31.81900 
1 1 1 -3  37 13 o 201.4658 10.75592 1216.326       126.6259 1112.854       143.5123 1580.025       269.0604 191.8084 12.83146 223.4994 20.76436 -31.69096      24.40911 
1 1 1 -3  37 14 o 126.8049 17.44681 504.2675       126.3130 356.4189       137.0790 1336.139       325.1548 103.7714 23.11636 198.3661 28.78957 -94.59468      36.92161 
1 1 1 -3  37 15 o 183.2050 18.14336 1051.939       192.3844 799.5988       234.5357 1570.942       336.3568 153.7126 27.00129 216.3008 27.10877 -62.58820      38.26167 
1 1 1 -3  37 16 o 78.78693 23.49938 206.2975       116.7710 50.66405       138.3508 591.7548       217.7301 58.48096 24.35429 129.8177 29.29589 -71.33677      38.09699 
1 1 1 -3  37 17 o 225.4819 9.689472 1521.750       127.8344 1554.449       157.2729 1458.083       219.4519 226.7551 11.86754 215.8530 17.48484 10.90205       21.13192 
1 1 1 -3  37 18 o 191.0216 11.46870 1103.064       127.8917 1184.998       156.8878 940.7713       220.8043 196.7867 13.67902 169.0953 22.84930 27.69133       26.63093 
1 1 1 -3  37 19 o 198.2031 10.53132 1182.895       121.9782 1222.272       150.2267 1106.703       208.9698 200.2126 12.86201 185.9919 19.44446 14.22064       23.31348 
1 1 1 -3  37 20 o 62.74083 22.34667 119.4262       103.5568 148.7179       126.0613 58.63688       181.6029 68.88821 24.64229 64.14836 27.36699 4.739845       36.82655 
1 1 1 -3  37 21 o 48.13490 20.59283 16.53862       103.3434 26.97464       131.1205 -0.5747826     167.9081 54.05377 23.16196 57.12902 25.30319 -3.075253      34.30347 
1 1 1 -3  37 22 o 107.0684 16.47977 366.3336       100.1678 430.0727       130.3432 274.3911       156.5466 113.9594 20.24404 87.22697 27.43934 26.73241       34.09895 
1 1 1 -3  37 23 o 59.83621 21.57359 108.6091       96.83280 134.7858       129.6894 75.63109       145.5661 66.34068 24.78927 60.67779 25.09980 5.662895       35.27758 
1 1 1 -3  37 24 o 107.7577 22.69993 400.0110       138.9209 430.2611       250.7229 386.6098       166.8795 102.0048 34.87321 102.5754 27.27225 -0.5706253     44.27094 
1 1 1 -3  37 25 o 108.7111 17.15290 383.3105       105.7388 153.4944       149.9245 610.7681       149.1531 69.50775 26.50085 136.1704 19.20969 -66.66269      32.73083 
1 1 1 -3  37 26 o 59.16005 24.40931 77.76141       137.1906 12.00609       147.5268 498.3005       373.0857 54.08662 23.84730 101.1481 40.80658 -47.06149      47.26384 
1 1 1 -3  37 27 o 113.7700 15.16000 413.4225       98.63750 240.6907       145.4029 560.6777       134.2524 80.65312 26.54615 130.7019 17.99094 -50.04881      32.06824 
1 1 1 -3  37 28 o 71.76189 25.58597 181.7675       135.7888 244.3390       146.8024 -188.9292      357.3173 80.80751 26.67710 65.14862 31.40136 15.65889       41.20332 
1 1 1 -3  37 29 o 52.09074 19.71213 76.57811       82.57196 -144.0950      147.1538 177.9914       99.75716 42.91625 20.54549 71.15456 21.82755 -28.23831      29.97598 
1 1 1 -3  37 30 o 123.2687 12.72417 476.0999       90.66794 497.6653       146.4346 462.6921       115.4628 119.3033 21.72892 118.5885 17.09460 0.7147598      27.64726 
1 1 1 -3  37 31 o 114.1453 13.39924 412.1965       87.99331 302.6647       133.1115 497.2104       117.2709 90.10676 24.53375 123.1781 16.65998 -33.07139      29.65568 
1 1 1 -3  37 32 o 54.20335 19.80676 91.11346       81.99052 92.19943       82.90663 42.78729       553.0581 54.47273 19.91522 78.53037 38.14070 -24.05764      43.02707 
1 1 1 -3  38 1  o 321.7985 10.05619 3081.810       189.5548 3081.810       189.5548 0.000000       0.000000 321.7985 10.05619 ?        ?        0.000000       10.05619 
1 1 1 -3  38 2  o 104.4647 32.50923 374.8498       220.3514 374.8498       220.3514 0.000000       0.000000 104.4647 32.50923 ?        ?        0.000000       32.50923 
1 1 1 -3  38 3  o 165.8398 13.20822 831.1139       127.4039 811.6583       136.3992 964.1943       356.7359 163.4315 14.37707 163.0644 38.00769 0.3670959      40.63601 
1 1 1 -3  38 4  o 279.1399 9.233964 2315.302       150.9602 2320.594       164.3790 2286.800       381.4729 279.1181 10.05816 267.0174 24.63746 12.10068       26.61148 
1 1 1 -3  38 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  38 6  o 106.6045 20.08913 363.0469       120.9934 282.5666       127.8041 1058.348       375.6527 92.66762 23.48905 169.5726 38.63742 -76.90497      45.21710 
1 1 1 -3  38 7  o 63.42986 22.89814 113.2159       109.1301 108.0492       115.1768 158.5827       341.2947 63.29171 23.41618 88.99266 37.72465 -25.70095      44.40120 
1 1 1 -3  38 8  o 170.0845 12.57530 874.2588       124.5521 886.1785       133.9773 798.3710       338.0516 170.8727 13.47834 145.3995 38.88774 25.47325       41.15728 
1 1 1 -3  38 9  o 63.24757 23.02624 112.3367       110.6624 148.1930       117.6020 -164.8663      326.9872 69.50410 23.87999 69.71866 32.52938 -0.2145538     40.35361 
1 1 1 -3  38 10 o 138.0152 27.50100 647.0338       214.7811 647.0338       214.7811 0.000000       0.000000 138.0152 27.50100 ?        ?        0.000000       27.50100 
1 1 1 -3  38 11 o 110.0844 19.09899 387.4073       118.8380 419.7868       122.0841 -197.3012      518.7930 114.8397 18.77475 84.27528 39.83522 30.56440       44.03789 
1 1 1 -3  38 12 o 189.7413 11.43424 1085.125       126.6484 1015.692       142.3670 1348.497       277.2771 182.6352 13.38445 203.0818 23.72714 -20.44655      27.24189 
1 1 1 -3  38 13 o 196.2345 12.02147 1164.823       137.6874 1081.738       143.6398 2105.427       483.3002 188.5570 13.07006 239.5108 35.47791 -50.95381      37.80884 
1 1 1 -3  38 14 o 89.75831 24.82141 274.6384       135.0484 222.2830       145.2162 609.7151       367.3727 81.28539 26.51622 120.7331 42.16869 -39.44775      49.81273 
1 1 1 -3  38 15 o 105.7223 21.15318 367.9483       126.5746 368.9488       135.8249 361.3441       348.9531 105.0506 22.70897 99.76908 39.73161 5.281555       45.76350 
1 1 1 -3  38 16 o 95.66847 21.87976 305.5895       120.0869 236.6127       128.9853 754.3922       329.0157 83.30360 24.66115 136.2296 39.12326 -52.92603      46.24718 
1 1 1 -3  38 17 o 138.3620 14.19424 592.0018       113.5494 442.1115       141.1608 866.7966       191.1312 115.4910 21.63569 163.5757 20.36300 -48.08470      29.71119 
1 1 1 -3  38 18 o 143.7045 13.80491 637.7646       114.9173 681.1801       140.7048 550.7874       199.1545 146.9456 16.61811 124.2596 28.00114 22.68604       32.56110 
1 1 1 -3  38 19 o 90.86504 21.45231 278.9410       112.4747 275.4551       138.9076 285.5776       191.6645 88.42343 25.42921 88.45247 30.48211 -0.2903748E-01 39.69640 
1 1 1 -3  38 20 o 141.7716 13.81453 623.8541       113.4066 628.1290       137.6401 614.8170       200.1236 140.2799 17.08188 131.3989 26.87620 8.881042       31.84526 
1 1 1 -3  38 21 o 172.2839 11.15256 903.1017       112.0805 951.5903       136.8786 804.4392       195.2505 175.4789 13.40165 154.7152 22.14947 20.76363       25.88828 
1 1 1 -3  38 22 o 70.01263 22.16394 166.2394       101.9891 54.39718       126.8947 370.3193       171.4118 55.76453 23.28138 99.72953 28.10695 -43.96500      36.49689 
1 1 1 -3  38 23 o 143.5094 12.78813 637.2852       106.5049 653.4842       134.9411 610.5221       173.4474 143.0137 16.38396 133.1372 23.04774 9.876434       28.27777 
1 1 1 -3  38 24 f 82.99391 20.68880 236.6558       100.3429 181.5935       130.2532 317.0370       157.3761 72.29668 25.11798 91.99644 27.24180 -19.69977      37.05440 
1 1 1 -3  38 25 o 101.0990 17.93078 337.6320       102.4227 342.7898       137.4301 331.1881       153.6124 97.64510 24.13742 94.08629 26.63914 3.558815       35.94800 
1 1 1 -3  38 26 o 62.89696 21.95173 131.2253       99.54449 186.3744       143.6410 80.26509       138.0781 72.57392 26.26077 59.07943 24.44283 13.49450       35.87589 
1 1 1 -3  38 27 f 104.3400 18.53452 364.1336       109.2632 137.4300       248.6779 418.3694       121.6329 72.41555 31.46562 111.4337 19.31098 -39.01820      36.91882 
1 1 1 -3  38 28 o 132.5820 19.36887 592.2391       146.1604 493.5205       154.7501 1408.145       444.8890 117.5751 23.26620 162.5819 45.08637 -45.00677      50.73556 
1 1 1 -3  38 29 f 84.58738 18.45595 243.2400       88.97702 105.5456       147.1807 322.5485       111.6998 62.02817 25.40401 96.38623 20.39711 -34.35806      32.57922 
1 1 1 -3  38 30 o 143.1960 13.26806 645.7340       110.1595 635.6608       207.3536 649.6951       130.0268 127.6094 28.43409 141.5465 15.94013 -13.93706      32.59732 
1 1 1 -3  38 31 o 30.24192 14.71299 -125.6881      83.25032 -219.4443      140.0712 -74.48061      103.5179 37.66962 18.48684 38.46461 18.06129 -0.7949829     25.84518 
1 1 1 -3  39 1  o 186.4959 12.21680 1050.341       132.8861 995.1258       140.9392 1492.505       398.8348 180.9896 13.37229 204.2988 34.51545 -23.30920      37.01533 
1 1 1 -3  39 2  o 271.9742 9.203409 2203.460       146.5889 2083.789       156.6037 3050.350       416.6011 264.0404 10.13183 307.7294 23.25558 -43.68900      25.36683 
1 1 1 -3  39 3  o 163.7436 14.71905 821.8616       139.8428 821.8616       139.8428 0.000000       0.000000 163.7436 14.71905 ?        ?        0.000000       14.71905 
1 1 1 -3  39 4  o 120.4512 18.89238 460.9846       129.0731 382.5492       136.0641 1165.960       407.9196 107.9687 22.22897 173.0623 40.85106 -65.09361      46.50738 
1 1 1 -3  39 5  o 245.8887 10.26101 1809.584       147.6467 1801.601       157.8053 1865.668       418.2708 244.9698 11.01210 231.1782 31.68299 13.79166       33.54218 
1 1 1 -3  39 6  o 203.8910 14.87394 1274.354       176.6350 1191.405       194.7886 1658.177       419.0103 195.7303 17.14180 214.5055 34.47487 -18.77516      38.50140 
1 1 1 -3  39 7  o 134.9678 16.32915 567.5580       126.6292 632.1521       134.6587 73.86977       372.2755 142.4855 16.41395 84.27514 37.48190 58.21033       40.91834 
1 1 1 -3  39 8  o 185.6539 13.47206 1050.642       145.6880 1086.436       161.0173 889.0560       342.1164 188.1267 14.71081 151.4064 38.45961 36.72032       41.17705 
1 1 1 -3  39 9  o 259.8531 9.460624 2017.325       143.9371 2024.368       155.6477 1975.731       378.2394 259.9011 10.23136 241.8279 27.13681 18.07317       29.00150 
1 1 1 -3  39 10 o 58.74971 22.78042 84.31020       112.0942 148.1212       119.0541 -414.0838      332.7230 68.94756 24.01032 60.21476 29.32177 8.732796       37.89805 
1 1 1 -3  39 11 o 86.88455 22.44234 253.0250       115.1573 234.3716       126.8342 340.5666       274.7672 83.17496 24.41047 96.97594 36.11278 -13.80097      43.58904 
1 1 1 -3  39 12 f 165.2402 21.08978 885.4657       199.7282 874.2144       217.9267 944.5168       499.2556 162.3159 23.58225 139.4272 49.12307 22.88870       54.49035 
1 1 1 -3  39 13 o 58.47280 23.20294 77.70450       118.6005 54.97514       134.0519 159.6013       254.4561 57.90222 24.03128 79.65990 33.08934 -21.75768      40.89507 
1 1 1 -3  39 14 o 86.17465 23.62157 253.6083       122.9170 297.4781       133.9776 20.33915       308.9429 93.00225 24.29966 74.49016 33.55870 18.51209       41.43259 
1 1 1 -3  39 15 o 103.5218 20.70043 354.9769       121.2839 307.7133       131.5188 623.6763       313.5868 94.65394 23.73721 122.0132 38.89240 -27.35929      45.56395 
1 1 1 -3  39 16 o 79.95589 22.73630 218.2165       111.6559 119.2778       135.4190 428.3025       197.3309 65.20776 25.10427 107.2659 30.13126 -42.05811      39.21883 
1 1 1 -3  39 17 o 74.95248 21.87266 190.6399       102.0841 103.8922       124.2692 370.6622       179.0184 61.88986 23.98907 100.1026 28.89281 -38.21275      37.55355 
1 1 1 -3  39 18 o 38.95648 18.33014 -92.30820      107.5930 -44.96840      132.9769 -182.0504      183.0885 47.66319 21.68908 47.92969 22.93796 -0.2665024     31.56843 
1 1 1 -3  39 19 o 138.9212 13.89857 600.8811       111.7184 653.9340       135.7099 489.3355       196.7811 143.3746 16.43626 114.3938 29.22752 28.98082       33.53205 
1 1 1 -3  39 20 o 57.69859 22.22129 90.63030       106.1288 33.93052       124.3841 242.3922       203.4959 53.13292 22.65771 82.05354 30.96887 -28.92062      38.37241 
1 1 1 -3  39 21 o 130.7429 15.52367 542.9522       116.7110 561.5967       142.3258 504.6768       203.9243 130.5021 19.16654 114.5613 30.00181 15.94078       35.60147 
1 1 1 -3  39 22 o 110.6411 17.68223 400.6581       110.8762 398.4841       140.8434 404.2011       179.8013 106.5176 23.20381 102.7496 28.72561 3.768005       36.92665 
1 1 1 -3  39 23 o 84.28103 21.70807 248.2912       107.9532 33.03939       138.0053 587.6664       173.2856 54.48930 23.55903 129.1862 23.74636 -74.69690      33.45022 
1 1 1 -3  39 24 o 144.3059 15.33262 664.5928       127.7791 776.6619       203.7451 591.9368       164.0514 147.7421 24.36276 130.6310 22.20737 17.11104       32.96531 
1 1 1 -3  39 25 o 62.02441 21.58131 127.5669       96.17371 295.9971       135.4133 -43.86609      136.6150 89.55311 24.88932 47.45830 21.74305 42.09481       33.04903 
1 1 1 -3  39 26 f 65.47106 20.87073 147.7426       90.30199 120.3185       136.3841 169.1502       120.4987 63.19794 24.94364 69.28455 24.15380 -6.086609      34.72163 
1 1 1 -3  39 27 o 61.16936 20.86323 126.0404       89.72713 74.77328       139.3577 162.3432       117.2687 58.02552 24.32365 67.91109 23.81712 -9.885571      34.04255 
1 1 1 -3  39 28 o 91.09414 25.19901 313.1160       139.1634 287.4686       142.0453 926.0301       694.3920 86.67051 25.93406 102.9076 47.80834 -16.23713      54.38945 
1 1 1 -3  39 29 o 44.88098 21.11436 -89.47120      142.6582 -89.47120      142.6582 0.000000       0.000000 44.88098 21.11436 ?        ?        0.000000       21.11436 
1 1 1 -3  40 1  o 277.8722 9.437524 2307.182       153.5759 2191.275       163.8936 3141.764       439.7860 270.2790 10.35867 308.6171 24.49891 -38.33810      26.59885 
1 1 1 -3  40 2  o 196.8782 12.88888 1179.171       148.0023 1179.171       148.0023 0.000000       0.000000 196.8782 12.88888 ?        ?        0.000000       12.88888 
1 1 1 -3  40 3  o 285.4524 9.461049 2435.322       158.1696 2352.515       167.9980 3081.558       469.3156 280.0973 10.24417 302.2753 26.74934 -22.17804      28.64386 
1 1 1 -3  40 4  o 79.32508 31.60970 176.2934       221.0041 176.2934       221.0041 0.000000       0.000000 79.32508 31.60970 ?        ?        0.000000       31.60970 
1 1 1 -3  40 5  o 255.4305 13.08251 1985.450       195.3284 2107.803       218.8654 1506.608       432.9774 262.2953 14.28162 196.8569 38.88277 65.43840       41.42263 
1 1 1 -3  40 6  o 110.6597 21.28322 402.8654       133.1117 311.7962       139.5962 1315.354       441.8773 95.43395 24.73902 178.0660 42.83673 -82.63206      49.46721 
1 1 1 -3  40 7  o 131.6633 20.86106 564.5940       155.7203 562.7658       169.4823 574.4995       394.5040 130.0676 23.06232 115.8433 43.24550 14.22437       49.01065 
1 1 1 -3  40 8  o 202.2339 11.06911 1234.247       130.7850 1323.069       139.0892 556.3280       384.2566 209.2380 11.37730 114.2869 42.67702 94.95111       44.16753 
1 1 1 -3  40 9  o 92.47574 22.58497 288.4384       121.4155 232.2667       128.7902 737.2095       364.0297 82.46822 24.69856 130.8654 41.92416 -48.39721      48.65854 
1 1 1 -3  40 10 o 81.92026 22.97462 227.5535       114.8219 222.4137       120.9899 274.1434       364.2654 80.82529 23.87357 92.79911 39.13778 -11.97382      45.84445 
1 1 1 -3  40 11 o 45.78009 20.60901 -33.62720      116.2667 11.01582       119.5850 -804.7301      496.9997 50.66724 21.91851 65.24644 32.51094 -14.57921      39.20947 
1 1 1 -3  40 12 o 61.39848 23.61848 101.4027       119.7952 64.86776       124.3533 572.5428       446.5585 57.27820 23.39214 111.3609 44.74313 -54.08266      50.48901 
1 1 1 -3  40 13 o 51.33430 21.82982 27.04228       114.8994 43.29503       126.9778 -46.40231      269.9257 55.04968 23.15597 66.34828 30.45882 -11.29860      38.26145 
1 1 1 -3  40 14 o 55.10243 22.32854 63.23671       112.2589 6.528065       126.6046 271.7914       242.7923 51.09117 22.32147 86.94343 33.57682 -35.85226      40.31936 
1 1 1 -3  40 15 o 156.9375 12.84016 758.3456       117.1487 697.5105       136.9917 923.9034       225.9912 148.5682 15.97296 164.1846 24.19417 -15.61644      28.99126 
1 1 1 -3  40 16 o 100.6771 19.02831 334.3661       108.2365 229.1728       126.3374 624.6038       209.8529 80.77444 24.52211 130.9099 28.16900 -50.13543      37.34737 
1 1 1 -3  40 17 o 79.18481 22.24121 216.7263       107.5221 273.1968       132.8203 109.3528       183.1481 87.57001 24.76278 67.55694 28.06819 20.01308       37.43019 
1 1 1 -3  40 18 o 118.9963 16.54177 454.6291       112.3255 485.1997       135.9267 388.7973       199.4666 120.7993 19.87698 99.72213 30.91361 21.07716       36.75249 
1 1 1 -3  40 19 o 45.77016 20.45806 -17.19628      112.3475 14.41388       136.1810 -84.55423      198.7914 52.75244 23.09633 54.68770 25.46516 -1.935265      34.37899 
1 1 1 -3  40 20 o 43.02399 19.61845 -40.57566      109.5119 -63.70584      130.5047 14.47851       201.3407 45.25536 20.92035 60.91437 27.29533 -15.65901      34.39035 
1 1 1 -3  40 21 o 138.5320 14.34599 605.5489       114.8702 630.9667       140.6346 554.6000       199.1086 139.0231 17.64560 120.6565 28.58023 18.36663       33.58864 
1 1 1 -3  40 22 o 72.99435 23.06532 188.8938       110.4990 289.2784       141.8725 34.08998       176.1795 88.04864 25.81061 59.04568 26.04601 29.00296       36.66855 
1 1 1 -3  40 23 o 201.5610 10.05495 1235.752       118.4851 1222.854       156.9773 1252.829       180.6272 197.5718 13.63112 197.9713 15.68526 -0.3995209     20.78063 
1 1 1 -3  40 24 o 97.90969 18.14466 320.8731       100.3540 203.2110       143.6767 432.9576       140.2300 74.44040 26.34101 110.7919 22.35338 -36.35146      34.54739 
1 1 1 -3  40 25 o 127.6393 13.65871 515.3166       100.6578 460.8875       139.6520 574.1677       145.2141 114.7949 21.53393 130.0759 19.64724 -15.28100      29.15003 
1 1 1 -3  40 26 o 137.9350 13.15090 598.6526       105.0990 425.0411       151.0315 761.6548       146.3441 107.3311 24.53045 152.7753 16.59973 -45.44415      29.61915 
1 1 1 -3  40 27 o 78.15817 21.18916 217.5133       99.54427 49.68246       150.5864 347.7724       132.6643 56.60011 24.54026 97.50472 23.48126 -40.90461      33.96460 
1 1 1 -3  41 1  o 115.5214 21.62588 442.5469       141.1329 442.5469       141.1329 0.000000       0.000000 115.5214 21.62588 ?        ?        0.000000       21.62588 
1 1 1 -3  41 2  o 132.9863 17.36918 561.3272       132.2336 560.8887       138.9596 565.5306       430.2444 132.3399 18.40094 112.6938 44.35736 19.64610       48.02260 
1 1 1 -3  41 3  o 302.8231 9.361672 2745.483       166.0623 2722.204       179.5223 2883.492       437.1088 300.9684 10.18528 291.4409 25.84097 9.527557       27.77581 
1 1 1 -3  41 4  o 136.9341 18.36711 600.4923       143.7874 600.4923       143.7874 0.000000       0.000000 136.9341 18.36711 ?        ?        0.000000       18.36711 
1 1 1 -3  41 5  o 39.69879 19.08899 -162.9257      130.2061 -147.3209      136.3825 -323.5981      437.6234 41.82074 19.95486 71.48118 34.52730 -29.66044      39.87896 
1 1 1 -3  41 6  o 196.7419 12.33850 1180.215       141.6503 1198.273       149.5287 1022.268       442.2248 197.8607 12.95718 146.9978 46.10104 50.86293       47.88731 
1 1 1 -3  41 7  o 78.21111 24.94084 209.6443       128.9477 164.5544       135.3442 653.1347       424.4650 71.46185 25.53683 117.4499 44.63562 -45.98810      51.42440 
1 1 1 -3  41 8  o 65.18121 26.19907 105.2471       153.1715 97.39155       165.1035 153.7779       410.3706 65.55241 26.88352 86.48820 38.84457 -20.93578      47.24007 
1 1 1 -3  41 9  o 81.18703 23.18865 227.0728       115.8897 211.5761       121.2623 390.4219       393.6995 78.32356 24.07272 98.49728 41.05631 -20.17372      47.59324 
1 1 1 -3  41 10 o 113.0156 20.03355 422.2663       127.9234 438.0549       135.0541 284.4830       398.9646 114.6318 20.85681 91.84654 39.88237 22.78527       45.00678 
1 1 1 -3  41 11 o 46.53916 21.06402 -36.87840      123.3770 -37.01717      128.0895 -35.09593      459.0718 47.41120 21.46025 80.19668 37.77446 -32.78548      43.44482 
1 1 1 -3  41 12 o 114.6389 18.77896 429.8272       121.8891 377.5192       132.1553 727.7985       315.4190 105.2494 22.11397 129.5845 38.61492 -24.33514      44.49876 
1 1 1 -3  41 13 o 121.2929 17.37806 474.2857       120.0922 471.9456       130.4887 487.2404       307.0222 119.8352 19.21607 105.4825 38.36099 14.35274       42.90482 
1 1 1 -3  41 14 o 53.05375 22.26508 43.31453       116.9740 -53.70644      129.4079 476.6546       273.4906 46.12892 21.14435 105.5838 36.41097 -59.45486      42.10514 
1 1 1 -3  41 15 o 171.6107 11.98978 903.6627       119.9128 899.9719       135.3930 917.0906       258.2517 170.1317 13.68474 157.5197 29.02399 12.61197       32.08838 
1 1 1 -3  41 16 o 83.78845 22.65577 246.3010       113.9800 264.5905       136.9059 204.9909       205.7547 85.38577 25.43938 77.59427 30.63382 7.791496       39.81951 
1 1 1 -3  41 17 o 63.57800 22.91736 130.1515       109.2639 113.8595       133.6824 162.9384       189.6428 63.05793 24.75411 72.34693 29.12645 -9.289001      38.22455 
1 1 1 -3  41 18 o 54.38544 22.31383 62.54898       113.8097 50.17446       140.2505 86.40927       194.7503 56.47476 24.07038 65.51508 28.15312 -9.040318      37.04027 
1 1 1 -3  41 19 o 188.2328 11.28250 1086.472       123.9805 1301.070       151.9593 659.2134       214.4168 204.8565 12.71076 131.6893 28.58441 73.16716       31.28310 
1 1 1 -3  41 20 o 97.64527 21.10262 330.5969       117.3164 350.4993       141.0571 285.9407       211.2918 97.96301 24.59183 84.59872 31.63523 13.36428       40.06926 
1 1 1 -3  41 21 o 114.8470 17.06138 432.1693       111.4305 557.6711       144.3618 247.1738       175.2701 128.5196 19.78668 80.29132 29.01443 48.22826       35.11908 
1 1 1 -3  41 22 f 82.64523 20.46429 238.1882       98.66132 232.4548       145.6422 243.0506       134.1247 78.53584 26.58331 80.63455 25.40285 -2.098717      36.76925 
1 1 1 -3  41 23 o 60.27896 21.93756 118.3088       100.4328 278.8940       150.4217 -10.86099      134.9082 84.84594 26.92395 49.42857 22.23002 35.41737       34.91522 
1 1 1 -3  41 24 o 30.38962 15.05710 -206.1754      100.8133 -147.1948      153.1653 -251.2586      133.9100 43.48416 20.85547 35.34551 17.48403 8.138649       27.21474 
1 1 1 -3  41 25 o 62.72760 22.53697 132.9538       105.5664 39.93497       158.2850 207.4784       141.6786 56.62389 24.84275 74.40039 26.17204 -17.77650      36.08515 
1 1 1 -3  41 26 o 44.44330 19.63619 1.184664       100.5190 -52.55218      162.9435 34.19840       127.7168 50.15973 23.25334 52.07072 22.58815 -1.910995      32.41824 
1 1 1 -3  42 1  o 43.84949 20.54146 -97.58640      132.5626 -97.58640      132.5626 0.000000       0.000000 43.84949 20.54146 ?        ?        0.000000       20.54146 
1 1 1 -3  42 2  o 126.9149 18.54465 522.6255       133.9576 557.9658       141.5166 218.0724       415.4355 130.9063 18.98649 88.76885 39.53076 42.13740       43.85394 
1 1 1 -3  42 3  o 125.1651 18.82302 510.0952       133.8988 472.7195       142.4862 792.4339       391.6182 118.8753 21.21606 128.5159 43.59027 -9.640671      48.47919 
1 1 1 -3  42 4  o 184.0517 13.21667 1044.027       141.7135 1129.658       152.3246 492.8533       386.4545 191.1582 13.67748 104.5231 41.74986 86.63512       43.93318 
1 1 1 -3  42 5  o 109.9064 21.56136 407.5916       134.0124 328.0407       141.2785 1121.822       423.3238 96.34129 24.84366 154.2464 44.40247 -57.90508      50.88012 
1 1 1 -3  42 6  o 88.19798 24.81719 275.3640       133.7457 227.0823       139.3848 836.1078       475.0139 80.21724 25.96442 124.4423 47.23604 -44.22504      53.90171 
1 1 1 -3  42 7  o 104.4911 22.27463 373.1666       132.3287 401.5359       139.1788 106.0599       427.0615 108.2397 22.65316 83.53453 38.33511 24.70512       44.52803 
1 1 1 -3  42 8  f 71.23702 25.38507 168.6955       133.6473 178.8396       140.2364 68.29404       441.1891 72.92239 26.00141 82.43900 38.23329 -9.516602      46.23697 
1 1 1 -3  42 9  o 68.44644 27.00984 135.9709       159.8861 89.50889       169.7407 501.6151       476.1744 64.45930 26.92007 102.4761 44.02885 -38.01683      51.60649 
1 1 1 -3  42 10 o 90.32569 24.25969 289.5345       131.2222 258.4596       138.2373 572.6094       417.2254 84.75117 25.63457 107.2556 43.19449 -22.50439      50.22843 
1 1 1 -3  42 11 o 100.8528 22.46972 351.8959       129.4996 234.4874       142.5077 908.3691       310.2491 80.72355 26.26329 148.0433 36.06982 -67.31979      44.61830 
1 1 1 -3  42 12 o 55.60029 23.26833 54.73746       127.2058 -51.09669      139.2568 588.0497       312.6039 47.92601 21.95544 113.0389 38.92990 -65.11285      44.69428 
1 1 1 -3  42 13 o 80.26703 25.20419 232.2686       132.1399 197.7472       146.5615 382.2385       305.4765 74.94064 26.59581 94.16028 37.27841 -19.21964      45.79320 
1 1 1 -3  42 14 o 154.9165 13.89702 751.4678       124.9211 651.0723       140.2639 1136.531       274.6975 141.7681 17.22297 176.2950 27.46262 -34.52692      32.41645 
1 1 1 -3  42 15 o 90.90513 22.69835 291.9862       120.6376 214.8354       137.8725 543.9966       249.1820 77.03964 25.86413 112.7588 34.48034 -35.71914      43.10275 
1 1 1 -3  42 16 o 140.6796 16.55490 639.3775       133.9750 536.7205       140.9367 1602.164       431.6131 126.4858 19.63541 187.6733 40.41019 -61.18745      44.92809 
1 1 1 -3  42 17 o 68.63574 23.52734 163.5537       114.1362 69.07197       138.3438 364.9332       201.9730 57.85336 24.24214 94.27180 31.29728 -36.41844      39.58789 
1 1 1 -3  42 18 f 50.91362 21.57969 38.45771       111.6527 -86.56013      132.0291 352.3348       209.2009 43.64585 20.46337 92.04060 31.84030 -48.39474      37.84910 
1 1 1 -3  42 19 o 47.44122 20.71755 11.25361       108.9579 -50.49708      129.3401 162.1876       202.2116 45.61793 20.99401 71.65533 29.60640 -26.03740      36.29446 
1 1 1 -3  42 20 o 105.5706 18.73027 375.6055       111.7212 406.4901       144.8430 330.2423       175.5408 105.7376 23.91855 90.62647 29.12075 15.11114       37.68442 
1 1 1 -3  42 21 o 96.71641 19.50096 320.7448       106.7901 519.5491       154.3963 138.4082       147.8635 120.9840 22.59055 65.75000 25.96556 55.23400       34.41720 
1 1 1 -3  42 22 o 63.75598 22.76299 138.5592       107.5145 295.4172       157.6752 2.251529       146.9840 86.53807 27.57761 52.14932 23.34813 34.38875       36.13391 
1 1 1 -3  42 23 o 92.84940 21.38793 305.8564       114.0653 539.5244       159.5688 61.68754       163.1149 122.6572 23.02767 58.97707 25.55590 63.68009       34.40025 
1 1 1 -3  42 24 o 55.89100 22.13839 87.84772       107.7841 -25.99848      158.8918 184.8892       146.6969 51.35417 23.49824 70.88945 26.38918 -19.53528      35.33491 
1 1 1 -3  43 1  o 75.14116 25.31046 196.8701       132.0271 215.2999       138.9563 25.78049       423.3785 77.95176 25.96198 79.18283 36.96816 -1.231071      45.17377 
1 1 1 -3  43 2  o 50.70525 22.62865 -12.53239      136.8885 -34.71703      146.1814 145.4979       390.1541 50.44843 22.87124 82.56866 37.40590 -32.12022      43.84398 
1 1 1 -3  43 3  o 102.2107 23.86767 367.6150       140.4660 462.4670       152.1109 -181.6878      366.0522 115.4761 23.26545 67.87697 32.47058 47.59908       39.94521 
1 1 1 -3  43 4  o 147.4044 16.53488 694.3212       140.4816 733.3868       150.5163 430.2994       391.2964 150.9499 17.31509 98.00024 40.89624 52.94967       44.41075 
1 1 1 -3  43 5  o 150.0282 16.01707 715.8345       138.7536 762.1985       148.2286 387.5620       394.4202 154.3922 16.63237 95.20107 40.46338 59.19114       43.74838 
1 1 1 -3  43 6  o 81.70939 24.93852 239.2463       130.4315 254.7619       137.3219 96.17442       416.9966 83.91533 25.58423 81.07253 37.44865 2.842804       45.35366 
1 1 1 -3  43 7  o 52.38454 22.61123 25.44068       126.7060 48.58925       132.9640 -203.2575      417.9297 55.65747 23.56799 70.41118 33.94355 -14.75371      41.32330 
1 1 1 -3  43 8  o 51.14144 22.44266 9.143455       129.2463 13.49742       135.9022 -32.06847      418.1148 52.57930 23.04520 75.72100 35.78275 -23.14170      42.56156 
1 1 1 -3  43 9  o 107.7714 22.02761 401.4152       134.5209 419.4933       140.5993 205.7943       462.5037 109.8153 22.58527 86.09530 39.65031 23.72000       45.63158 
1 1 1 -3  43 10 o 123.8338 20.44785 517.4718       143.3252 486.4716       150.2525 830.5997       477.5298 118.4469 22.45102 117.4912 46.57906 0.9557037      51.70742 
1 1 1 -3  43 11 o 92.67554 24.48313 311.1679       135.0376 321.2270       149.2098 265.6339       317.4574 92.93349 26.23470 84.72596 36.16566 8.207535       44.67902 
1 1 1 -3  43 12 o 140.5109 16.66429 638.2330       134.6535 544.8895       148.3571 1074.630       320.7801 126.6767 20.68221 160.4363 35.07280 -33.75964      40.71677 
1 1 1 -3  43 13 o 98.04903 24.20445 348.3745       138.3336 268.5311       146.1190 1038.298       429.5242 84.52956 26.49834 135.9499 45.65136 -51.42030      52.78455 
1 1 1 -3  43 14 f 151.7177 14.31659 727.3922       125.8811 760.3392       141.6922 603.9873       274.2228 153.8521 15.93371 115.2960 36.32290 38.55608       39.66404 
1 1 1 -3  43 15 o 111.4741 19.44641 419.5886       122.5134 308.9740       138.3768 820.7573       263.5242 91.32343 25.07515 141.9484 32.37431 -50.62498      40.94947 
1 1 1 -3  43 16 o 99.77586 20.49557 343.2866       115.9165 325.7803       134.3204 394.3631       229.4332 94.39681 24.16288 95.35526 33.32324 -0.9584503     41.16167 
1 1 1 -3  43 17 o 77.76550 22.93839 218.7096       111.7599 162.0121       132.6985 357.0607       207.2886 68.34853 25.16122 91.92128 31.69924 -23.57275      40.47134 
1 1 1 -3  43 18 o 116.4770 15.79001 440.3896       105.0880 515.2905       123.0820 238.9216       201.8617 125.0050 17.24786 78.40211 30.52274 46.60285       35.05890 
1 1 1 -3  43 19 o 52.31787 21.48573 60.49985       105.6463 146.6565       125.9059 -144.4834      194.2052 65.67092 24.44749 49.72501 23.75001 15.94591       34.08435 
1 1 1 -3  43 20 o 60.02316 23.22300 110.5543       116.2996 80.54955       140.1393 176.9379       208.4467 58.53497 24.45421 72.32237 29.98701 -13.78740      38.69404 
1 1 1 -3  43 21 o 61.96716 23.31569 125.8883       115.1471 99.54510       144.1209 172.3848       191.4709 60.75604 25.03805 70.95848 29.00836 -10.20244      38.31956 
1 1 1 -3  44 1  o 67.11738 25.69837 142.7803       141.3725 142.7803       141.3725 0.000000       0.000000 67.11738 25.69837 ?        ?        0.000000       25.69837 
1 1 1 -3  44 2  o 127.4178 20.94976 551.1669       151.1163 571.5905       161.0813 401.2518       436.4169 128.8314 22.11555 93.82379 41.20437 35.00763       46.76428 
1 1 1 -3  44 3  o 124.8400 20.99331 529.9496       148.2549 412.5878       159.4226 1280.681       403.2076 106.0053 25.87369 165.4227 41.60611 -59.41742      48.99506 
1 1 1 -3  44 4  o 74.75546 25.73956 199.6572       136.6538 171.4733       146.6246 385.9954       377.0143 71.00269 26.39203 92.82914 39.51162 -21.82645      47.51533 
1 1 1 -3  44 5  o 181.2782 13.63367 1026.734       143.8848 1167.820       157.0793 291.1914       358.6572 193.0982 13.96479 86.87408 37.76779 106.2241       40.26687 
1 1 1 -3  44 6  o 106.9491 22.19525 399.0425       134.6514 445.6598       143.1732 42.04152       396.2075 113.0313 22.39001 76.14539 35.61941 36.88595       42.07202 
1 1 1 -3  44 7  o 100.8865 22.96811 360.8505       132.8384 335.5235       141.7664 543.1434       380.3351 95.64495 24.99889 102.1543 41.20516 -6.509346      48.19553 
1 1 1 -3  44 8  o 121.2603 19.81960 495.9899       136.0850 562.6835       144.2242 -45.36649      410.9018 129.4479 19.61084 73.32008 34.88700 56.12783       40.02109 
1 1 1 -3  44 9  o 148.9244 16.81209 719.4385       144.2740 754.2819       151.9990 402.5472       458.3902 152.0533 17.35532 92.12847 41.24089 59.92480       44.74392 
1 1 1 -3  44 10 o 63.53076 24.87846 121.9081       134.7480 72.81555       141.4781 601.3922       442.1491 58.52779 24.51933 102.4366 43.15626 -43.90884      49.63528 
1 1 1 -3  44 11 o 55.36963 23.36157 56.38164       129.8723 16.25924       141.5761 269.3947       326.2119 53.05467 23.37808 83.69232 36.20312 -30.63765      43.09525 
1 1 1 -3  44 12 o 75.30727 24.59092 206.4899       124.8785 221.5889       135.8291 124.0131       317.4572 77.38255 25.66509 74.89046 33.85261 2.492088       42.48172 
1 1 1 -3  44 13 o 76.82115 24.69763 217.2049       126.2537 145.2097       139.1943 551.2910       299.8465 66.43158 25.48355 105.7576 37.98418 -39.32607      45.74067 
1 1 1 -3  44 14 o 63.35062 23.93288 130.3191       121.5997 115.7319       136.0710 188.1640       270.9649 62.40804 24.82444 76.02577 32.94087 -13.61773      41.24747 
1 1 1 -3  44 15 o 122.5300 17.50442 497.1368       122.2177 365.1134       135.7640 1061.434       280.6812 100.1380 23.52019 163.4266 30.40331 -63.28857      38.43905 
1 1 1 -3  44 16 o 118.7536 18.21124 472.0083       122.7941 384.0107       142.9266 720.0379       239.9547 102.0595 24.24068 132.2232 31.41148 -30.16370      39.67735 
1 1 1 -3  44 17 o 109.2028 17.53014 396.9757       108.4736 467.1222       130.7192 241.8578       194.3870 116.8185 19.78543 78.39205 30.10394 38.42646       36.02375 
1 1 1 -3  44 18 o 39.49764 18.50705 -73.11034      107.7090 -95.78861      129.8181 -23.01144      192.9499 42.24729 19.95661 55.96654 25.71465 -13.71925      32.55010 
1 1 1 -3  44 19 o 85.65131 23.38692 271.9089       120.7578 272.3749       145.0781 270.8578       217.8843 83.43752 26.43706 80.54777 31.60782 2.889755       41.20646 
1 1 1 -3  45 1  o 55.02687 24.14445 26.07720       149.5448 26.07720       149.5448 0.000000       0.000000 55.02687 24.14445 ?        ?        0.000000       24.14445 
1 1 1 -3  45 2  o 101.0554 25.49974 378.7771       151.1039 355.1188       159.2131 593.4348       479.5797 96.42458 27.05765 100.5465 43.69272 -4.121971      51.39232 
1 1 1 -3  45 3  o 86.61825 26.50855 284.3708       147.2419 224.0141       157.7201 693.8716       410.8201 77.48286 27.58030 109.7820 43.30350 -32.29911      51.34069 
1 1 1 -3  45 4  o 97.31255 25.29999 351.3224       145.7133 295.9557       155.9346 732.6005       409.2030 87.71632 27.35554 112.5639 43.55836 -24.84759      51.43594 
1 1 1 -3  45 5  o 174.0907 14.54991 959.8677       147.1974 1069.315       158.3742 265.5252       398.9048 183.5275 14.84054 84.61549 38.12551 98.91205       40.91205 
1 1 1 -3  45 6  o 140.2915 17.09647 642.8970       137.7642 665.9738       147.7969 490.0246       380.4021 141.9031 18.17596 97.04031 40.39567 44.86283       44.29646 
1 1 1 -3  45 7  o 139.4594 17.68471 640.4866       141.3949 698.4142       150.2759 193.3954       417.4889 145.4070 18.00637 81.44082 37.56592 63.96621       41.65847 
1 1 1 -3  45 8  o 82.10944 26.15384 255.5412       141.8282 278.0571       150.5079 77.04382       423.7703 85.01013 26.92624 76.91339 36.24798 8.096741       45.15461 
1 1 1 -3  45 9  o 56.78269 24.13766 60.76704       140.3869 34.55943       148.2713 287.7151       436.3214 55.25821 24.14876 85.07893 38.93334 -29.82072      45.81449 
1 1 1 -3  45 10 o 71.79060 25.20707 187.2518       131.3811 120.1961       144.1282 516.8267       319.5275 63.44314 25.44376 100.2860 38.57437 -36.84290      46.21003 
1 1 1 -3  45 11 o 89.27487 28.64089 320.2031       169.8512 239.1955       187.2254 696.9033       403.7383 78.31376 29.67173 107.6285 42.77755 -29.31479      52.06084 
1 1 1 -3  45 12 o 104.9964 20.51566 382.5838       121.7995 284.8124       135.2336 802.6389       280.3056 86.83601 25.12673 134.2645 35.18081 -47.42844      43.23241 
1 1 1 -3  45 13 o 90.37477 23.44265 299.7681       125.2952 306.6516       133.9456 251.5800       354.3977 90.50720 24.59709 81.22965 36.31942 9.277550       43.86476 
1 1 1 -3  45 14 f 104.0675 20.46424 376.4299       120.4465 311.7689       137.6435 587.7819       248.8501 90.85754 25.03292 114.0659 34.37070 -23.20839      42.52050 
1 1 1 -3  45 15 o 53.41115 22.61308 52.97821       122.3741 92.30814       139.8388 -75.63496      252.8768 59.57905 24.61897 59.21218 27.93481 0.3668671      37.23503 
1 1 1 -3  45 16 o 111.8116 19.71467 430.8837       124.5560 382.5258       151.5724 531.4510       218.5824 99.85677 25.72389 110.7227 31.91660 -10.86594      40.99253 
1 1 1 -3  46 1  o 108.7611 24.92288 438.4058       155.5593 438.4058       155.5593 0.000000       0.000000 108.7611 24.92288 ?        ?        0.000000       24.92288 
1 1 1 -3  46 2  o 165.4374 17.23432 898.4313       164.7674 898.4313       164.7674 0.000000       0.000000 165.4374 17.23432 ?        ?        0.000000       17.23432 
1 1 1 -3  46 3  o 78.79066 26.85106 237.8915       148.6172 165.9038       157.6073 815.4398       446.4176 69.40548 26.98432 112.1192 44.84247 -42.71370      52.33546 
1 1 1 -3  46 4  o 49.18468 22.35609 -24.53901      140.7828 -24.03469      151.5394 -27.71787      380.4582 50.81792 23.13584 70.54874 33.56874 -19.73083      40.76920 
1 1 1 -3  46 5  o 88.86750 25.60543 300.4613       140.7135 451.9373       155.2332 -397.5190      333.2225 110.7718 24.54134 56.08570 27.71355 54.68615       37.01781 
1 1 1 -3  46 6  o 99.77489 23.86985 365.3796       137.7996 481.5061       152.4341 -153.7784      322.3046 115.6053 23.28897 62.31971 29.98332 53.28556       37.96545 
1 1 1 -3  46 7  o 51.42272 22.91438 5.911197       139.8194 107.1659       158.7698 -343.9195      295.1136 62.92603 26.13792 53.92739 26.53858 8.998634       37.24899 
1 1 1 -3  46 8  o 63.58873 25.49898 123.0044       144.7358 197.1442       161.7727 -174.4146      324.0143 73.07314 27.60488 61.66110 29.76557 11.41203       40.59580 
1 1 1 -3  46 9  o 90.07835 26.40228 314.2628       148.4595 510.6598       161.8439 -727.9690      372.8303 118.1714 24.16840 52.42427 26.40546 65.74715       35.79609 
1 1 1 -3  46 10 o 66.00989 25.20010 147.6790       135.6815 190.5983       153.0921 -9.473863      292.9459 72.01079 26.92810 65.55607 30.65358 6.454720       40.80153 
1 1 1 -3  46 11 o 124.8635 19.17375 530.2648       135.9272 487.1528       151.8253 704.3835       305.1178 116.0893 23.11257 117.7072 38.43848 -1.617889      44.85207 
1 1 1 -3  46 12 o 62.44374 26.44543 99.96964       167.4537 58.49009       186.6563 271.0200       379.0422 60.59068 26.76484 81.37451 36.86670 -20.78383      45.55777 
1 1 1 -3  47 1  o 57.41252 24.80533 57.82096       152.7779 57.82096       152.7779 0.000000       0.000000 57.41252 24.80533 ?        ?        0.000000       24.80533 
1 1 1 -3  47 2  o 113.8328 24.87596 482.6933       161.4222 482.6933       161.4222 0.000000       0.000000 113.8328 24.87596 ?        ?        0.000000       24.87596 
1 1 1 -3  47 3  o 173.7031 15.97321 979.9276       160.9029 989.5327       172.3269 914.6043       449.4013 173.2645 17.18493 116.1914 45.45335 57.07302       48.59351 
1 1 1 -3  47 4  o 106.2223 25.14530 425.2475       154.2022 425.2475       154.2022 0.000000       0.000000 106.2223 25.14530 ?        ?        0.000000       25.14530 
1 1 1 -3  47 5  o 182.4914 13.83920 1056.363       147.0125 1167.490       161.0985 502.9705       359.4990 191.2248 14.47215 94.90021 39.36748 96.32457       41.94331 
1 1 1 -2  0  1  o 5.753639 4.248029 -34.89664      10.83517 -34.89664      10.83517 -34.89664      10.83517 5.753639 4.248029 5.753639 4.248029 -0.000000      0.000000 
1 1 1 -2  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  3  o 206.7610 7.291036 1258.635       88.16180 1258.635       88.16180 1258.635       88.16180 206.7610 7.291036 206.7610 7.291036 -0.000000      0.000000 
1 1 1 -2  0  4  o 391.1797 10.35547 4499.263       237.1964 4499.263       237.1964 4499.263       237.1964 391.1797 10.35547 391.1797 10.35547 -0.000000      0.000000 
1 1 1 -2  0  5  o 211.8821 7.389945 1321.659       91.57670 1321.659       91.57670 1321.659       91.57670 211.8821 7.389945 211.8821 7.389945 -0.000000      0.000000 
1 1 1 -2  0  6  o 711.5836 23.91377 14945.31       995.4292 14945.31       995.4292 14945.31       995.4292 711.5836 23.91377 711.5836 23.91377 0.000000       0.000000 
1 1 1 -2  0  7  o 269.1305 8.257852 2130.754       130.0628 2130.754       130.0628 2130.754       130.0628 269.1305 8.257852 269.1305 8.257852 -0.000000      0.000000 
1 1 1 -2  0  8  o 448.4222 11.46758 5912.776       301.1392 5912.776       301.1392 5912.776       301.1392 448.4222 11.46758 448.4222 11.46758 0.000000       0.000000 
1 1 1 -2  0  9  o 448.7365 11.48741 5921.734       301.8704 5921.734       301.8704 5921.734       301.8704 448.7365 11.48741 448.7365 11.48741 0.000000       0.000000 
1 1 1 -2  0  10 o 526.7554 10.82590 8154.624       334.1254 8154.624       334.1254 8154.624       334.1254 526.7554 10.82590 526.7554 10.82590 0.000000       0.000000 
1 1 1 -2  0  11 o 33.69412 13.90764 46.75013       27.24885 46.75013       27.24885 46.75013       27.24885 33.69412 13.90764 33.69412 13.90764 0.000000       0.000000 
1 1 1 -2  0  12 o 301.7098 7.216296 2675.458       127.5243 2675.458       127.5243 2675.458       127.5243 301.7098 7.216296 301.7098 7.216296 -0.000000      0.000000 
1 1 1 -2  0  13 o 68.52980 9.104267 144.9460       34.78944 144.9460       34.78944 144.9460       34.78944 68.52980 9.104267 68.52980 9.104267 0.000000       0.000000 
1 1 1 -2  0  14 o 583.4492 11.67571 10006.97       399.1576 10006.97       399.1576 10006.97       399.1576 583.4492 11.67571 583.4492 11.67571 -0.000000      0.000000 
1 1 1 -2  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  16 o 50.42768 15.65863 93.34065       40.56400 93.34065       40.56400 93.34065       40.56400 50.42768 15.65863 50.42768 15.65863 -0.000000      0.000000 
1 1 1 -2  0  17 o 797.0439 15.59248 18673.19       728.2371 18673.19       728.2371 18673.19       728.2371 797.0439 15.59248 797.0439 15.59248 0.000000       0.000000 
1 1 1 -2  0  18 o 360.9736 8.612627 3828.862       182.0970 3828.862       182.0970 3828.862       182.0970 360.9736 8.612627 360.9736 8.612627 0.000000       0.000000 
1 1 1 -2  0  19 o 13.53364 9.913483 -130.8511      50.38749 -130.8511      50.38749 -130.8511      50.38749 13.53364 9.913483 13.53364 9.913483 -0.000000      0.000000 
1 1 1 -2  0  20 o 664.4524 13.43081 12974.90       522.8967 12974.90       522.8967 12974.90       522.8967 664.4524 13.43081 664.4524 13.43081 -0.000000      0.000000 
1 1 1 -2  0  21 o 1018.881 19.91287 30546.84       1188.867 30546.84       1188.867 30546.84       1188.867 1018.881 19.91287 1018.881 19.91287 -0.000000      0.000000 
1 1 1 -2  0  22 o 213.2339 8.961453 1341.051       111.6177 1341.051       111.6177 1341.051       111.6177 213.2339 8.961453 213.2339 8.961453 0.000000       0.000000 
1 1 1 -2  0  23 o 159.8209 9.940332 758.1908       92.33644 758.1908       92.33644 758.1908       92.33644 159.8209 9.940332 159.8209 9.940332 -0.000000      0.000000 
1 1 1 -2  0  24 o 101.2221 13.62443 316.8068       76.76466 316.8068       76.76466 316.8068       76.76466 101.2221 13.62443 101.2221 13.62443 0.000000       0.000000 
1 1 1 -2  0  25 o 581.6745 11.99181 9948.739       408.6944 9948.739       408.6944 9948.739       408.6944 581.6745 11.99181 581.6745 11.99181 0.000000       0.000000 
1 1 1 -2  0  26 o 565.6465 11.85396 9410.466       392.8516 9410.466       392.8516 9410.466       392.8516 565.6465 11.85396 565.6465 11.85396 0.000000       0.000000 
1 1 1 -2  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  29 o 233.7652 8.170925 1610.323       111.7109 1610.323       111.7109 1610.323       111.7109 233.7652 8.170925 233.7652 8.170925 -0.000000      0.000000 
1 1 1 -2  0  30 o 71.49077 19.73355 181.1556       71.54675 181.1556       71.54675 181.1556       71.54675 71.49077 19.73355 71.49077 19.73355 -0.000000      0.000000 
1 1 1 -2  0  31 o 82.21499 17.99457 225.5772       75.97337 225.5772       75.97337 225.5772       75.97337 82.21499 17.99457 82.21499 17.99457 -0.000000      0.000000 
1 1 1 -2  0  32 o 389.3894 9.429371 4463.870       215.0511 4463.870       215.0511 4463.870       215.0511 389.3894 9.429371 389.3894 9.429371 0.000000       0.000000 
1 1 1 -2  0  33 o 32.68397 20.36593 20.18500       79.18010 20.18500       79.18010 20.18500       79.18010 32.68397 20.36593 32.68397 20.36593 0.000000       0.000000 
1 1 1 -2  0  34 o 19.12239 13.88079 -179.6381      85.95423 -179.6381      85.95423 -179.6381      85.95423 19.12239 13.88079 19.12239 13.88079 -0.000000      0.000000 
1 1 1 -2  0  35 o 135.9064 14.08614 561.4664       109.2673 561.4664       109.2673 561.4664       109.2673 135.9064 14.08614 135.9064 14.08614 0.000000       0.000000 
1 1 1 -2  0  36 o 71.02571 25.74640 198.8098       98.48476 198.8098       98.48476 198.8098       98.48476 71.02571 25.74640 71.02571 25.74640 0.000000       0.000000 
1 1 1 -2  0  37 o 125.0827 15.29279 482.1086       107.7079 482.1086       107.7079 482.1086       107.7079 125.0827 15.29279 125.0827 15.29279 -0.000000      0.000000 
1 1 1 -2  0  38 f 110.2620 18.79790 389.9959       110.9585 389.9959       110.9585 389.9959       110.9585 110.2620 18.79790 110.2620 18.79790 -0.000000      0.000000 
1 1 1 -2  0  39 o 189.4889 11.82457 1071.073       130.2209 1071.073       130.2209 1071.073       130.2209 189.4889 11.82457 189.4889 11.82457 -0.000000      0.000000 
1 1 1 -2  0  40 o 212.1444 11.92798 1340.591       147.3240 1340.591       147.3240 1340.591       147.3240 212.1444 11.92798 212.1444 11.92798 0.000000       0.000000 
1 1 1 -2  0  41 o 360.4774 10.67644 3843.572       225.2639 3843.572       225.2639 3843.572       225.2639 360.4774 10.67644 360.4774 10.67644 0.000000       0.000000 
1 1 1 -2  0  42 o 347.2823 10.40758 3571.475       211.5429 3571.475       211.5429 3571.475       211.5429 347.2823 10.40758 347.2823 10.40758 -0.000000      0.000000 
1 1 1 -2  0  43 o 146.8878 20.79632 689.4819       168.8107 689.4819       168.8107 689.4819       168.8107 146.8878 20.79632 146.8878 20.79632 0.000000       0.000000 
1 1 1 -2  0  44 o 23.45755 16.79240 -160.5920      106.8638 -160.5920      106.8638 -160.5920      106.8638 23.45755 16.79240 23.45755 16.79240 0.000000       0.000000 
1 1 1 -2  0  45 o 85.93022 27.74785 288.2031       123.5048 288.2031       123.5048 288.2031       123.5048 85.93022 27.74785 85.93022 27.74785 0.000000       0.000000 
1 1 1 -2  0  46 o 230.2995 11.78190 1592.822       158.1769 1592.822       158.1769 1592.822       158.1769 230.2995 11.78190 230.2995 11.78190 0.000000       0.000000 
1 1 1 -2  0  47 o 52.05269 28.29581 128.0499       121.8191 128.0499       121.8191 128.0499       121.8191 52.05269 28.29581 52.05269 28.29581 0.000000       0.000000 
1 1 1 -2  0  48 o 263.7914 11.74792 2092.742       180.9261 2092.742       180.9261 2092.742       180.9261 263.7914 11.74792 263.7914 11.74792 0.000000       0.000000 
1 1 1 -2  0  49 o 69.04009 31.87186 230.7252       142.0005 230.7252       142.0005 230.7252       142.0005 69.04009 31.87186 69.04009 31.87186 0.000000       0.000000 
1 1 1 -2  0  50 o 83.36169 32.90065 314.2180       154.5998 314.2180       154.5998 314.2180       154.5998 83.36169 32.90065 83.36169 32.90065 0.000000       0.000000 
1 1 1 -2  0  51 o 25.87407 18.83317 -327.3997      164.4260 -327.3997      164.4260 -327.3997      164.4260 25.87407 18.83317 25.87407 18.83317 0.000000       0.000000 
1 1 1 -2  0  52 o 319.2531 14.22541 3117.966       265.1414 3117.966       265.1414 3117.966       265.1414 319.2531 14.22541 319.2531 14.22541 0.000000       0.000000 
1 1 1 -2  1  1  o ?        ?        -38.26487      5.105389 -38.26487      5.105389 0.000000       0.000000 ?        ?        ?        ?        0.000000       ?        
1 1 1 -2  1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  1  3  o 475.7920 9.763057 6645.285       272.4291 6804.717       478.6234 6568.877       331.3401 480.6523 17.00581 472.7734 11.95967 7.878815       20.79017 
1 1 1 -2  1  4  o 174.5369 4.911827 894.2413       50.22833 907.4109       71.52364 881.4266       70.55346 175.7261 6.953785 173.1874 6.960446 2.538635       9.838848 
1 1 1 -2  1  5  o 319.3332 6.386709 2991.613       119.6112 2942.323       167.7109 3042.638       170.6386 316.4908 9.044723 321.8448 9.049228 -5.353973      12.79436 
1 1 1 -2  1  6  o 196.2916 5.102612 1130.948       58.69165 1155.337       83.62926 1107.275       82.38967 198.3049 7.202718 194.1283 7.249314 4.176529       10.21918 
1 1 1 -2  1  7  o 456.5009 8.191130 6115.463       219.2987 6126.808       310.5991 6104.186       309.6733 456.6049 11.60810 455.7617 11.59493 0.8432312      16.40703 
1 1 1 -2  1  8  o 194.6041 4.557016 1110.798       52.00955 1122.129       117.8178 1108.056       57.96289 195.2194 10.32727 194.2909 5.091214 0.9284210      11.51403 
1 1 1 -2  1  9  o 414.0488 6.911224 5030.519       167.8252 4809.361       359.8340 5092.000       189.7239 404.0452 15.21241 416.5349 7.766405 -12.48978      17.08023 
1 1 1 -2  1  10 o 409.3095 6.750333 4916.455       162.0420 5169.644       376.4734 4858.883       179.5224 418.7796 15.35445 406.8687 7.523394 11.91086       17.09855 
1 1 1 -2  1  11 o 536.7769 8.465371 8461.492       266.4958 8638.861       596.2872 8417.222       297.9033 540.4846 18.84024 535.2698 9.489690 5.214722       21.09523 
1 1 1 -2  1  12 o 342.4563 5.528374 3441.377       111.0332 3428.940       156.6168 3453.944       157.4359 341.7186 7.814822 342.9615 7.827226 -1.242859      11.06060 
1 1 1 -2  1  13 o 559.8960 8.023403 9205.496       263.4611 9466.960       385.6245 8976.620       360.7942 567.3579 11.58929 552.5319 11.13401 14.82605       16.07103 
1 1 1 -2  1  14 o 242.6767 5.900999 1728.061       83.98545 1810.576       121.3284 1652.148       116.3732 248.1826 8.347551 237.0605 8.383545 11.12209       11.83070 
1 1 1 -2  1  15 o 855.6066 19.95884 21591.84       1001.521 21611.46       1417.212 21572.27       1415.518 853.0270 28.36783 852.2555 28.35961 0.7715454      40.11236 
1 1 1 -2  1  16 o 463.7036 6.999616 6308.843       190.3554 6475.600       276.3820 6158.354       262.5562 469.6504 10.03424 458.0154 9.774439 11.63504       14.00806 
1 1 1 -2  1  17 o 583.6651 8.359620 9996.677       286.1546 9820.989       395.0167 10190.68       415.0972 578.3209 11.64652 589.0792 12.01505 -10.75830      16.73328 
1 1 1 -2  1  18 o 139.6772 5.805282 573.2770       47.45170 477.6730       62.59336 702.4688       72.76256 127.3079 8.430937 154.5170 8.057199 -27.20911      11.66187 
1 1 1 -2  1  19 o 393.5729 6.300707 4544.097       145.4337 4613.192       208.0918 4478.121       203.3390 396.4718 8.949366 390.6270 8.875808 5.844727       12.60441 
1 1 1 -2  1  20 o 408.4941 6.784268 4895.643       162.5322 5035.809       232.3189 4761.268       227.4683 414.1982 9.563696 402.7466 9.630270 11.45163       13.57227 
1 1 1 -2  1  21 o 507.0501 7.880695 7544.634       234.3505 7227.739       314.4194 7940.724       351.5186 496.1284 10.80599 519.9744 11.52699 -23.84607      15.80003 
1 1 1 -2  1  22 o 296.5315 6.064591 2579.693       105.4685 2550.596       146.8648 2610.678       151.5558 294.6644 8.507351 298.1071 8.677851 -3.442719      12.15237 
1 1 1 -2  1  23 o 358.1331 6.279731 3763.195       131.8973 3627.134       179.3587 3923.427       194.6387 351.5072 8.700372 365.5646 9.078510 -14.05737      12.57441 
1 1 1 -2  1  24 o 561.1518 8.348739 9244.929       274.7589 9226.883       387.7134 9263.134       389.4276 560.2682 11.79952 561.3644 11.82855 -1.096252      16.70758 
1 1 1 -2  1  25 o 329.3211 6.031006 3182.607       116.4823 3237.310       167.3498 3131.198       162.2310 331.9005 8.604650 326.4222 8.481483 5.478271       12.08204 
1 1 1 -2  1  26 o 507.6535 7.670570 7567.810       228.3734 7548.403       321.8080 7587.499       324.1422 506.6462 10.83033 507.9498 10.88088 -1.303589      15.35219 
1 1 1 -2  1  27 o 367.2221 6.239482 3958.782       134.3779 4023.310       191.1950 3895.793       188.9039 369.9983 8.811020 364.0844 8.846844 5.913940       12.48602 
1 1 1 -2  1  28 o 249.0461 5.786911 1820.823       84.52339 1842.471       119.7578 1799.337       119.3117 250.2502 8.170738 247.2936 8.238088 2.956619       11.60289 
1 1 1 -2  1  29 o 417.4568 6.797845 5119.269       166.4307 5265.105       240.1813 4984.564       230.8339 422.9789 9.682110 411.5737 9.563160 11.40518       13.60872 
1 1 1 -2  1  30 o 143.5056 6.703278 606.3606       56.26067 590.5538       77.99311 623.5088       81.23507 141.3292 9.464208 145.2203 9.591899 -3.891083      13.47500 
1 1 1 -2  1  31 o 220.6727 5.868278 1431.301       75.87944 1457.176       106.5325 1404.657       108.1043 222.4169 8.180961 218.3324 8.458564 4.084549       11.76756 
1 1 1 -2  1  32 o 394.0786 6.654480 4564.014       153.7969 4382.665       210.3782 4772.188       225.4014 385.7642 9.298828 402.4952 9.548728 -16.73099      13.32841 
1 1 1 -2  1  33 o 253.0622 6.311418 1881.668       93.67091 1810.579       129.5862 1959.458       135.5568 247.8294 8.930300 257.8226 8.978693 -9.993210      12.66362 
1 1 1 -2  1  34 o 150.8953 8.434351 672.1113       74.34405 621.9377       101.0461 731.3245       109.7718 144.6285 12.02141 156.9114 12.02001 -12.28290      16.99986 
1 1 1 -2  1  35 o 236.7603 7.093268 1649.451       98.38202 1613.081       134.6320 1691.127       144.1183 233.7587 9.842444 239.2829 10.29376 -5.524185      14.24202 
1 1 1 -2  1  36 o 114.6120 11.14166 391.4539       73.94714 418.0782       103.0658 363.2088       106.1569 117.6875 15.29393 109.1464 17.14882 8.541145       22.97795 
1 1 1 -2  1  37 o 285.4892 6.936778 2397.307       116.1443 2456.105       164.9775 2339.530       163.5377 288.3758 9.768834 281.4087 9.924541 6.967133       13.92575 
1 1 1 -2  1  38 o 169.7250 8.824729 851.8358       87.53940 1077.663       125.9166 640.5832       121.7856 190.4763 11.32285 146.0086 14.40986 44.46770       18.32623 
1 1 1 -2  1  39 o 56.40247 19.28770 89.23293       76.69672 35.82015       107.8939 143.7930       109.0464 53.22071 21.76849 69.70905 22.99114 -16.48834      31.66164 
1 1 1 -2  1  40 o 280.0872 7.599478 2314.166       124.7171 2477.884       179.9667 2162.890       172.9932 289.0187 10.63548 269.9038 10.95146 19.11484       15.26591 
1 1 1 -2  1  41 o 200.8492 8.750061 1194.832       102.8226 1271.071       147.5105 1122.780       143.4026 206.2000 12.25312 193.6169 12.69893 12.58307       17.64658 
1 1 1 -2  1  42 o 92.75738 17.72560 270.6091       92.91293 168.0402       149.9662 334.5086       118.3680 75.51485 26.89231 102.4211 20.42257 -26.90626      33.76800 
1 1 1 -2  1  43 o 290.3270 7.334732 2495.006       124.7884 2546.397       177.1449 2444.382       175.8176 291.9529 10.36226 285.9667 10.50110 5.986206       14.75295 
1 1 1 -2  1  44 o 41.81405 18.82195 -35.29227      96.95325 -69.34145      108.2853 102.3223       217.6950 41.45209 19.12453 73.03407 30.49273 -31.58198      35.99380 
1 1 1 -2  1  45 o 99.00685 15.28903 307.2752       85.91988 342.1506       121.8362 272.7719       121.1845 101.9057 21.08167 90.01251 22.90337 11.89321       31.12879 
1 1 1 -2  1  46 o 116.2027 13.49218 417.8482       90.24201 418.6144       124.6837 417.0053       130.7772 113.2822 19.46860 112.4103 20.59572 0.8718338      28.34096 
1 1 1 -2  1  47 o 136.3901 11.66222 568.4461       92.39130 530.0535       126.6512 612.1172       135.0775 128.7051 17.20981 138.5780 16.97429 -9.872894      24.17238 
1 1 1 -2  1  48 f 46.32107 19.60396 23.04373       91.91522 141.6936       127.0292 -107.3416      133.1632 66.79526 24.61295 43.08971 20.31112 23.70554       31.91142 
1 1 1 -2  1  49 o 63.57468 22.17472 132.5564       101.5684 111.7836       140.7908 155.0999       146.6684 63.40255 25.24107 69.13304 26.24617 -5.730495      36.41391 
1 1 1 -2  1  50 o 115.1547 16.72683 430.9509       109.6640 451.3476       157.7416 411.8710       152.5647 111.8124 24.71341 106.5162 24.87519 5.296227       35.06462 
1 1 1 -2  1  51 o 155.7481 16.85379 788.8458       151.4971 874.9229       179.9853 579.6404       280.5946 161.6509 19.37015 111.1421 36.88895 50.50882       41.66530 
1 1 1 -2  1  52 o 35.74757 17.53226 -203.4267      125.3467 -88.07054      171.0362 -337.2704      184.2326 49.56082 23.25390 40.81754 20.24666 8.743282       30.83296 
1 1 1 -2  2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  2  o 262.7830 6.653314 2027.244       102.4558 1946.541       172.1296 2071.524       127.5024 257.2053 11.43966 265.5626 8.196364 -8.357330      14.07289 
1 1 1 -2  2  3  o 53.68853 6.061237 85.63504       18.75179 97.33554       26.65577 74.17159       26.38438 57.00988 8.208716 49.44652 9.442573 7.563354       12.51180 
1 1 1 -2  2  4  o 450.6530 8.114758 5959.670       214.4709 6174.119       310.5883 5764.213       296.5161 458.3719 11.56281 442.8960 11.42507 15.47586       16.25518 
1 1 1 -2  2  5  o 296.1294 6.125350 2572.554       106.3807 2606.617       151.6164 2539.524       149.3005 297.8945 8.687552 294.0335 8.667386 3.860962       12.27180 
1 1 1 -2  2  6  o 461.3870 7.461979 6246.254       201.9156 6358.472       452.8167 6218.404       225.5844 464.6475 16.64372 460.3211 8.355987 4.326385       18.62353 
1 1 1 -2  2  7  o 262.3987 5.134403 2019.644       79.01366 2031.341       178.7696 2016.804       88.08443 262.7380 11.63049 262.2045 5.728072 0.5335083      12.96453 
1 1 1 -2  2  8  o 394.8865 6.658741 4575.173       154.2109 4451.678       335.9783 4608.135       173.5746 388.8186 14.76056 396.2779 7.468543 -7.459290      16.54247 
1 1 1 -2  2  9  o 309.2773 5.637665 2806.178       102.2582 2862.678       232.3212 2792.602       113.8834 311.8256 12.73036 308.5109 6.294181 3.314667       14.20136 
1 1 1 -2  2  10 o 368.1806 6.333316 3977.784       136.7548 3970.454       304.4724 3979.636       153.0630 367.0657 14.17001 368.2344 7.087534 -1.168762      15.84368 
1 1 1 -2  2  11 o 286.9099 5.460039 2415.380       91.87382 2375.336       203.6876 2425.607       102.9402 283.8981 12.26244 287.4941 6.105278 -3.595978      13.69824 
1 1 1 -2  2  12 o 637.4523 9.796047 11941.95       366.2260 11511.30       786.3321 12061.24       413.8512 622.8572 21.55868 640.4409 11.01830 -17.58368      24.21115 
1 1 1 -2  2  13 o 209.9141 4.546044 1292.702       55.96618 1375.218       80.73766 1216.379       77.64893 216.3699 6.369449 203.4709 6.515429 12.89897       9.111569 
1 1 1 -2  2  14 o 554.1443 8.668619 9016.915       281.7236 9313.322       470.8690 8851.651       351.5973 562.3422 14.28897 548.8229 10.92352 13.51929       17.98605 
1 1 1 -2  2  15 o 774.5969 10.84134 17623.62       492.5034 17850.58       707.2936 17410.00       686.1955 778.8952 15.48354 769.2687 15.20965 9.626465       21.70423 
1 1 1 -2  2  16 o 544.8758 7.860589 8712.087       251.1904 9102.620       370.6547 8380.389       341.5958 556.7412 11.35182 534.2285 10.90272 22.51276       15.73954 
1 1 1 -2  2  17 o 1039.682 14.22260 31761.58       867.2213 32640.98       1260.594 30971.43       1194.913 1052.846 20.41549 1025.681 19.86431 27.16541       28.48479 
1 1 1 -2  2  18 o 321.0180 5.748580 3022.880       108.2282 2898.679       144.6477 3180.847       163.1291 314.3098 7.846992 329.1280 8.458163 -14.81821      11.53758 
1 1 1 -2  2  19 o 618.8392 8.815330 11238.91       319.9388 11093.71       443.0907 11397.06       462.4538 614.5966 12.29283 622.9135 12.65873 -8.316956      17.64532 
1 1 1 -2  2  20 o 643.4592 9.240958 12152.57       348.7294 11780.31       470.9050 12604.67       518.9429 633.2661 12.67934 654.9709 13.50974 -21.70483      18.52778 
1 1 1 -2  2  21 o 609.1759 8.982187 10892.30       320.9041 10494.30       434.9993 11367.53       475.3320 597.6842 12.40984 621.9962 13.03043 -24.31195      17.99434 
1 1 1 -2  2  22 o 440.7994 7.100168 5701.477       183.5524 5390.057       243.1544 6114.026       279.8641 428.4716 9.676307 456.2939 10.45808 -27.82224      14.24789 
1 1 1 -2  2  23 o 132.4468 7.604023 516.5300       58.81745 435.3272       77.61272 626.0831       90.14871 121.2356 11.03657 145.6129 10.62946 -24.37722      15.32290 
1 1 1 -2  2  24 o 556.4377 8.214152 9090.046       268.0587 8908.634       371.1140 9287.942       387.6081 550.5464 11.49378 562.1146 11.75757 -11.56818      16.44224 
1 1 1 -2  2  25 o 670.7644 9.472026 13218.04       372.6176 13098.22       522.4362 13342.09       531.6052 667.1067 13.35326 673.2678 13.46328 -6.161133      18.96232 
1 1 1 -2  2  26 o 460.7252 7.208127 6232.386       194.7668 6257.063       279.8424 6209.202       271.2426 461.3275 10.34317 459.5917 10.06318 1.735809       14.43083 
1 1 1 -2  2  27 o 325.9794 7.168722 3120.656       137.0511 2954.698       155.7983 3688.440       288.1739 316.9961 8.387643 353.3986 13.93128 -36.40247      16.26140 
1 1 1 -2  2  28 o 353.9626 6.262603 3678.853       130.0058 3761.953       186.2986 3599.973       181.5070 357.6980 8.880605 349.8042 8.854561 7.893799       12.54067 
1 1 1 -2  2  29 o 509.0553 8.481897 7619.882       253.2261 7643.556       405.9847 7604.807       323.9688 508.5617 13.62407 508.1018 10.87181 0.4598999      17.43019 
1 1 1 -2  2  30 o 50.23214 15.02679 75.51567       47.69376 74.87289       65.52971 76.23969       69.54783 52.25836 17.82936 53.14209 18.35971 -0.8837242     25.59229 
1 1 1 -2  2  31 o 280.0699 5.922570 2303.977       97.28081 2239.638       133.1456 2377.653       142.4800 275.7948 8.240954 284.1274 8.560235 -8.332611      11.88238 
1 1 1 -2  2  32 o 131.8465 7.737022 513.0203       59.56348 507.8583       80.19930 519.3701       88.94962 130.8213 10.54222 132.1437 11.59488 -1.322357      15.67098 
1 1 1 -2  2  33 o 249.2405 6.354021 1826.492       92.80333 1760.043       125.7388 1906.001       137.5414 244.3621 8.788053 254.2377 9.239871 -9.875534      12.75167 
1 1 1 -2  2  34 o 221.0268 7.113946 1437.626       92.09585 1329.863       126.1165 1560.746       134.8035 212.1746 10.16466 229.9169 10.02130 -17.74234      14.27399 
1 1 1 -2  2  35 o 128.2108 10.10246 487.4978       75.34970 604.3085       104.3751 360.3646       108.8893 142.4305 12.62588 108.6584 17.69560 33.77201       21.73814 
1 1 1 -2  2  36 o 331.9399 6.884306 3239.687       134.0202 3289.894       186.0497 3185.535       193.2200 333.9638 9.508704 328.5085 10.04073 5.455322       13.82865 
1 1 1 -2  2  37 o 225.2925 7.457005 1495.287       98.39272 1465.607       135.7981 1528.088       142.7594 222.5501 10.43340 227.1930 10.74463 -4.642853      14.97675 
1 1 1 -2  2  38 o 183.2949 8.342093 992.3052       89.44086 971.9972       126.3980 1012.671       126.5792 180.7146 11.99391 184.5249 11.75768 -3.810333      16.79575 
1 1 1 -2  2  39 o 230.1219 7.807257 1562.436       105.2150 1657.188       147.0143 1462.946       150.6450 236.3953 10.63122 221.8352 11.61958 14.56010       15.74920 
1 1 1 -2  2  40 o 43.32022 18.38783 5.441520       81.26472 -33.30504      114.4367 44.85745       115.4210 46.88654 20.82131 55.64851 22.60742 -8.761963      30.73471 
1 1 1 -2  2  41 o 344.6119 7.485864 3503.467       151.2944 3504.079       212.8441 3502.842       215.0988 343.4582 10.57926 343.3492 10.69501 0.1090393      15.04341 
1 1 1 -2  2  42 o 186.4149 8.790721 1031.841       95.83640 1019.532       137.5176 1043.464       133.6322 184.0173 12.82256 186.3680 12.29482 -2.350754      17.76459 
1 1 1 -2  2  43 o 133.2206 11.11270 534.4594       86.03425 555.5967       122.2750 513.7348       121.0754 134.0850 15.85556 128.6359 16.42285 5.449112       22.82781 
1 1 1 -2  2  44 o 99.12835 14.56158 305.1619       82.13428 338.4946       117.6273 273.4469       114.7374 102.0436 20.36885 90.93464 21.79783 11.10896       29.83347 
1 1 1 -2  2  45 o 85.19305 18.34962 235.1644       88.97061 205.3169       123.4271 267.4478       128.3650 78.26123 24.32683 88.67645 24.07074 -10.41521      34.22273 
1 1 1 -2  2  46 o 135.3689 11.74022 558.8082       92.28571 549.0033       128.1504 569.3706       133.0085 131.4832 17.01755 133.7231 17.36994 -2.239853      24.31690 
1 1 1 -2  2  47 o 63.23078 20.35142 130.1700       85.71145 63.37334       117.5290 206.0550       125.2696 55.84090 22.76538 77.22066 24.57779 -21.37976      33.50119 
1 1 1 -2  2  48 o 96.45676 17.55740 303.8803       95.66361 415.0830       133.7973 187.5772       136.8312 110.6071 21.39976 73.80309 25.73809 36.80400       33.47236 
1 1 1 -2  2  49 o 105.2508 18.06742 365.0733       107.5097 548.3396       150.1704 172.3792       153.9846 127.3313 20.82887 71.62674 26.95986 55.70454       34.06869 
1 1 1 -2  2  50 o 94.76618 20.04946 306.4031       107.9482 281.7445       152.4264 331.2146       152.8984 86.34448 27.06377 93.87778 26.57616 -7.533302      37.93073 
1 1 1 -2  2  51 o 113.0317 18.50851 426.8135       118.4511 426.1653       168.8035 427.4422       166.2558 105.7010 27.10381 106.2450 26.71352 -0.5440369     38.05560 
1 1 1 -2  2  52 o 186.9167 12.45456 1087.721       135.7508 1197.832       195.1386 984.4603       188.9713 190.7975 17.63854 171.2578 19.14159 19.53972       26.02918 
1 1 1 -2  3  1  o 309.8260 8.835509 2819.577       160.3822 2888.361       229.5458 2753.971       224.1789 313.3247 12.51696 305.9365 12.52078 7.388184       17.70436 
1 1 1 -2  3  2  o 394.4488 7.401637 4565.259       171.2257 4525.931       240.7417 4605.521       243.5826 392.4879 10.46797 395.9240 10.49947 -3.436127      14.82623 
1 1 1 -2  3  3  o 502.7415 8.866174 7418.030       261.4156 7390.916       368.6510 7445.455       370.7530 501.6039 12.53153 503.4495 12.55678 -1.845581      17.74012 
1 1 1 -2  3  4  f 201.9760 4.652706 1196.533       55.11325 1161.627       129.9754 1204.185       60.85497 198.5792 11.20580 202.5508 5.126970 -3.971603      12.32298 
1 1 1 -2  3  5  o 685.1646 10.40759 13782.64       418.2111 13907.99       930.9348 13750.95       468.1054 686.2618 23.16337 684.2711 11.66447 1.990784       25.93456 
1 1 1 -2  3  6  o 767.6647 18.02635 17343.19       811.5772 17707.84       1166.295 17000.85       1130.050 773.8320 25.73450 758.2806 25.44678 15.55133       36.19120 
1 1 1 -2  3  7  o 466.1723 6.945539 6376.205       189.8904 6261.149       262.6429 6502.217       274.8650 461.8217 9.697074 470.6140 9.958734 -8.792206      13.89999 
1 1 1 -2  3  8  o 452.6596 6.753294 6012.074       179.2825 5996.659       252.1034 6027.846       255.0092 451.9458 9.511342 453.1147 9.596151 -1.168884      13.51117 
1 1 1 -2  3  9  o 1045.459 14.39731 32151.44       882.7524 32104.45       1245.296 32198.91       1251.528 1043.060 20.35696 1044.570 20.42925 -1.510132      28.84025 
1 1 1 -2  3  10 o 425.9944 6.480280 5325.501       161.9005 5285.645       226.8225 5366.899       231.1630 424.2386 9.116444 427.4797 9.220454 -3.241028      12.96635 
1 1 1 -2  3  11 o 449.4873 6.700686 5930.300       176.6393 5809.580       244.3518 6062.434       255.6417 444.6828 9.369464 454.2357 9.596212 -9.552979      13.41172 
1 1 1 -2  3  12 o 544.5405 7.871586 8707.474       251.3871 8517.102       348.1337 8914.894       363.3866 538.1905 11.02959 550.5840 11.25369 -12.39349      15.75745 
1 1 1 -2  3  13 o 150.4760 5.895346 665.4785       51.92613 673.1359       71.61850 656.9918       75.39634 151.1901 8.106663 149.3168 8.646749 1.873383       11.85260 
1 1 1 -2  3  14 o 237.8092 4.366452 1658.898       60.89867 1670.884       71.70387 1627.874       115.3607 238.6520 5.123031 235.3237 8.372101 3.328323       9.815167 
1 1 1 -2  3  15 f 427.5353 6.638856 5363.186       166.4622 5518.283       209.8380 5099.885       273.4067 433.6028 8.251663 416.5298 11.20229 17.07300       13.91335 
1 1 1 -2  3  16 o 386.6789 5.718890 4386.099       129.6919 4531.898       157.1328 4074.521       229.7057 393.0233 6.817075 372.3827 10.52853 20.64063       12.54283 
1 1 1 -2  3  17 o 299.6280 5.587595 2633.418       98.18789 2614.370       117.4325 2677.672       178.9973 298.5221 6.707512 301.8594 10.12526 -3.337311      12.14544 
1 1 1 -2  3  18 o 166.8112 5.089954 816.9329       49.73719 794.3524       55.39519 910.8398       112.9675 164.4598 5.752159 175.7934 11.01254 -11.33360      12.42431 
1 1 1 -2  3  19 o 616.4243 8.299387 11150.42       300.0380 11151.49       353.1715 11147.63       568.7894 616.3689 9.769997 615.5720 15.76812 0.7968750      18.54956 
1 1 1 -2  3  20 o 227.5222 5.931495 1519.608       79.08023 1487.829       86.31831 1685.615       197.2847 225.1025 6.545361 239.0773 14.13340 -13.97482      15.57545 
1 1 1 -2  3  21 o 162.5332 8.070719 777.1586       76.69097 777.1586       76.69097 0.000000       0.000000 162.5332 8.070719 ?        ?        0.000000       8.070719 
1 1 1 -2  3  22 o 266.2350 5.728292 2079.403       89.44185 2046.417       99.48915 2218.417       204.2397 264.1002 6.423275 274.4641 12.72294 -10.36395      14.25242 
1 1 1 -2  3  23 o 480.2197 7.403111 6767.938       208.4994 6837.324       294.3709 6698.086       295.3569 482.4825 10.40310 477.5339 10.54611 4.948669       14.81368 
1 1 1 -2  3  24 o 782.6331 10.96345 17999.94       503.2179 17586.17       693.9301 18458.87       730.8170 772.7968 15.31087 791.6451 15.74083 -18.84833      21.95897 
1 1 1 -2  3  25 o 291.5015 5.890029 2493.565       100.6952 2391.829       136.0759 2616.704       149.7072 285.2823 8.141419 298.3683 8.564244 -13.08603      11.81647 
1 1 1 -2  3  26 o 505.4624 8.557910 7505.664       253.6922 7450.615       322.5531 7594.948       410.7885 503.3169 10.92721 507.5341 13.81359 -4.217255      17.61304 
1 1 1 -2  3  27 f 440.0949 6.879790 5687.465       177.5710 5672.570       249.2184 5702.825       253.0726 439.2191 9.674940 440.3733 9.798819 -1.154144      13.77031 
1 1 1 -2  3  28 o 221.6227 5.743458 1442.888       74.58852 1438.156       101.8117 1448.371       109.5850 221.0842 7.864689 221.8125 8.439320 -0.7282104     11.53583 
1 1 1 -2  3  29 o 226.5356 5.903644 1507.909       78.36766 1486.900       107.8481 1531.412       114.0708 224.7389 8.196179 228.0441 8.544246 -3.305176      11.83983 
1 1 1 -2  3  30 o 189.9878 6.036556 1061.200       67.17596 1040.100       90.46782 1087.133       100.2923 187.8774 8.230459 192.0053 8.930901 -4.127884      12.14502 
1 1 1 -2  3  31 o 134.9202 7.347462 536.7474       57.91925 582.0148       79.31494 485.0292       84.77808 140.2361 9.703561 127.7089 11.44016 12.52719       15.00121 
1 1 1 -2  3  32 o 471.3607 7.375192 6532.955       203.8812 6374.500       278.8082 6715.073       298.9026 465.0271 10.22296 477.1742 10.68076 -12.14709      14.78471 
1 1 1 -2  3  33 o 71.35796 14.27187 156.0797       57.63943 55.02515       79.46875 268.2536       83.72676 50.79381 19.31111 93.83171 15.77378 -43.03790      24.93454 
1 1 1 -2  3  34 o 292.4640 6.668015 2513.755       114.3719 2422.594       158.2423 2613.462       165.4940 286.6443 9.425833 297.7227 9.490189 -11.07843      13.37572 
1 1 1 -2  3  35 o 105.9492 11.70981 335.4334       71.54815 317.2085       102.2582 352.9124       100.1437 101.7736 17.77888 107.7993 16.35266 -6.025780      24.15570 
1 1 1 -2  3  36 o 282.7718 6.730556 2350.817       111.6188 2403.258       156.8885 2297.066       158.8352 285.4077 9.385685 278.9615 9.723360 6.446167       13.51425 
1 1 1 -2  3  37 o 264.3478 6.995628 2057.055       108.3605 2052.767       151.1116 2061.594       155.4713 263.5866 9.792181 264.0995 10.05602 -0.5128784     14.03604 
1 1 1 -2  3  38 o 159.9635 9.152895 757.4778       85.50927 794.4100       122.0647 721.8894       119.8232 163.0969 12.86538 155.3335 13.28029 7.763458       18.49011 
1 1 1 -2  3  39 o 48.35911 20.88029 -5.761368      108.1163 0.000000       0.000000 -5.761368      108.1163 ?        ?        48.35911 20.88029 0.000000       20.88029 
1 1 1 -2  3  40 o 225.0700 8.086937 1496.325       106.5726 1465.867       145.3650 1531.722       156.7061 222.0240 11.19990 226.7905 11.82259 -4.766449      16.28531 
1 1 1 -2  3  41 o 205.3549 8.684312 1248.952       104.3541 1307.262       147.2402 1190.102       147.9201 209.1572 12.05443 199.3200 12.72032 9.837219       17.52472 
1 1 1 -2  3  42 f 34.87374 16.18167 -63.27908      79.17867 -250.3909      113.8601 111.9378       110.1816 32.48196 16.07737 63.63090 23.00315 -31.14894      28.06468 
1 1 1 -2  3  43 o 32.10541 15.21804 -85.91698      76.72439 -133.5139      114.3056 -46.88928      103.5058 38.44275 18.32229 42.43216 19.24032 -3.989414      26.56870 
1 1 1 -2  3  44 o 97.77865 14.75176 297.5627       81.96404 358.4655       120.9804 245.8902       111.4362 105.0504 20.37199 86.10326 21.99190 18.94713       29.97768 
1 1 1 -2  3  45 o 137.8433 11.20088 575.3350       89.77031 471.8241       124.5470 687.2544       129.5070 121.7335 17.98594 148.9397 15.03175 -27.20617      23.44030 
1 1 1 -2  3  46 o 69.43893 20.24536 159.7287       87.49431 164.5281       120.3418 154.3469       127.4339 70.81831 24.16155 69.57230 24.78838 1.246002       34.61567 
1 1 1 -2  3  47 o 181.1811 9.525407 988.1169       100.8599 901.6375       137.0479 1090.300       148.9720 170.6394 13.81235 187.8715 13.61285 -17.23215      19.39306 
1 1 1 -2  3  48 o 93.97317 18.51899 292.0244       98.43275 518.1592       144.5607 96.55112       134.4034 124.4854 20.51472 61.43311 24.59331 63.05233       32.02631 
1 1 1 -2  3  49 o 156.4026 12.12646 754.4615       110.3633 892.3548       162.3852 636.0909       150.4517 166.5005 16.86175 138.7507 18.98638 27.74983       25.39294 
1 1 1 -2  3  50 o 117.6032 15.85316 445.2827       106.5593 367.7164       155.3257 514.2473       146.4601 99.21917 26.27957 122.5606 21.13940 -23.34138      33.72670 
1 1 1 -2  3  51 o 145.7907 14.16046 672.4245       119.5526 786.2382       180.3477 583.2035       159.6786 151.7331 20.81455 129.5998 21.78009 22.13330       30.12670 
1 1 1 -2  3  52 o 161.9655 14.47741 834.6250       136.0709 934.9952       193.5190 736.4760       191.3657 165.4843 20.36886 143.4528 23.56338 22.03149       31.14680 
1 1 1 -2  4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  4  2  o 353.8683 8.008690 3674.622       166.2086 0.000000       0.000000 3674.622       166.2086 ?        ?        353.8683 8.008690 0.000000       8.008690 
1 1 1 -2  4  3  o 120.7211 4.023693 427.9043       28.44797 421.2695       40.56419 434.3259       39.90687 119.6964 5.795673 121.5513 5.613214 -1.854950      8.068334 
1 1 1 -2  4  4  o 404.4474 6.228185 4798.788       147.7318 4736.402       205.1452 4865.993       212.9203 401.7273 8.707220 407.1776 8.916261 -5.450287      12.46256 
1 1 1 -2  4  5  o 651.6651 9.217705 12464.63       352.2879 12652.98       504.2334 12285.01       492.3981 656.2548 13.10113 646.6528 12.98359 9.602051       18.44486 
1 1 1 -2  4  6  o 1086.359 24.99485 34857.12       1592.482 36042.55       2314.089 33790.69       2194.859 1099.928 35.92097 1065.320 35.17805 34.60767       50.27735 
1 1 1 -2  4  7  o 249.4279 4.699856 1824.867       68.75117 1808.389       95.29475 1842.753       99.28569 248.1804 6.552863 250.5189 6.763837 -2.338516      9.417510 
1 1 1 -2  4  8  o 785.7382 10.95521 18134.72       504.8347 17949.79       702.1100 18332.66       726.3973 781.0901 15.32687 789.3136 15.69185 -8.223511      21.93507 
1 1 1 -2  4  9  o 135.7272 4.464679 540.9609       35.49083 541.2839       49.20248 540.6104       51.24289 135.6791 6.199730 135.5785 6.463156 0.1005707      8.955950 
1 1 1 -2  4  10 o 679.7776 9.585082 13575.29       382.1319 13698.94       544.4568 13455.25       536.4641 682.2334 13.60755 676.1524 13.52837 6.080994       19.18807 
1 1 1 -2  4  11 o 423.0428 6.444993 5252.808       159.9032 5117.792       220.1861 5403.475       232.5987 417.3873 8.994977 428.8566 9.247932 -11.46930      12.90092 
1 1 1 -2  4  12 o 669.5797 9.484723 13173.29       372.4581 13137.83       526.0753 13208.92       527.3978 668.0077 13.42814 669.8132 13.42561 -1.805481      18.98847 
1 1 1 -2  4  13 o 164.8943 5.745563 798.8037       55.47849 801.8667       75.13809 795.1324       82.26180 165.0827 7.782741 164.3272 8.565248 0.7554932      11.57301 
1 1 1 -2  4  14 o 485.5728 8.915709 6922.766       253.8989 6930.872       358.2561 6914.587       359.8839 485.3890 12.59564 484.8091 12.66816 0.5798645      17.86428 
1 1 1 -2  4  15 o 535.5024 7.717308 8415.326       242.3694 8174.967       332.0667 8689.355       354.5623 527.6138 10.73146 543.9311 11.11471 -16.31732      15.44995 
1 1 1 -2  4  16 o 388.0776 6.244491 4418.117       142.1236 4597.267       180.3925 4124.926       230.7733 395.8226 7.770830 374.6911 10.51214 21.13150       13.07253 
1 1 1 -2  4  17 o 567.2553 7.689447 9441.288       255.8139 9322.074       296.7873 9785.844       504.5598 563.6028 8.978869 576.8560 14.92656 -13.25311      17.41902 
1 1 1 -2  4  18 o 150.4705 5.372578 664.9690       47.33551 688.2121       53.24311 577.3190       103.3932 153.0550 5.942805 139.6195 12.76805 13.43550       14.08332 
1 1 1 -2  4  19 o 755.8801 9.957942 16771.82       441.4413 16755.44       520.3414 16813.87       833.8426 755.3567 11.74589 755.8143 18.81129 -0.4575806     22.17725 
1 1 1 -2  4  20 o 408.5025 6.467264 4895.684       154.9408 4780.856       175.5389 5300.639       329.6499 403.6536 7.415049 424.5380 13.25618 -20.88443      15.18912 
1 1 1 -2  4  21 o 707.2070 9.484694 14682.15       393.3874 14444.37       453.2714 15407.90       791.8975 701.3226 11.02021 723.0961 18.68902 -21.77350      21.69619 
1 1 1 -2  4  22 o 333.8911 5.894574 3270.643       115.4271 3273.787       133.2299 3261.179       231.1349 334.0258 6.800974 332.9614 11.85536 1.064362       13.66758 
1 1 1 -2  4  23 o 395.0941 6.190497 4580.139       143.4421 4470.217       163.1324 4954.810       301.1777 390.2867 7.126987 410.3713 12.52865 -20.08459      14.41392 
1 1 1 -2  4  24 o 130.9319 8.072387 505.2149       61.68524 505.2149       61.68524 0.000000       0.000000 130.9319 8.072387 ?        ?        0.000000       8.072387 
1 1 1 -2  4  25 o 617.3001 8.313759 11190.92       300.9846 11056.31       348.3201 11587.68       598.0054 613.4123 9.682233 626.6063 16.28651 -13.19403      18.94719 
1 1 1 -2  4  26 o 317.5013 6.869415 2959.620       127.9133 2760.855       150.7498 3470.669       241.7229 306.4489 8.395715 343.1864 12.02844 -36.73752      14.66872 
1 1 1 -2  4  27 o 125.7216 10.04054 467.8351       73.41689 357.3549       103.6623 579.0208       103.9928 108.6912 16.80355 139.5911 12.84665 -30.89991      21.15174 
1 1 1 -2  4  28 o 475.5294 7.357595 6643.556       205.1936 6659.183       287.9522 6627.435       292.4757 475.6513 10.32241 474.4835 10.51037 1.167755       14.73160 
1 1 1 -2  4  29 o 302.3851 5.988611 2685.077       106.2031 2566.648       141.7159 2836.795       160.4013 295.3469 8.189459 310.4299 8.819303 -15.08301      12.03525 
1 1 1 -2  4  30 o 85.80306 12.93629 222.2448       63.07574 223.0546       107.0437 221.8140       78.06894 84.73811 21.50641 85.10307 16.23386 -0.3649673     26.94557 
1 1 1 -2  4  31 o 361.8628 6.374923 3847.318       135.2912 3738.860       183.3866 3976.841       200.4053 356.4146 8.773275 367.3810 9.308761 -10.96646      12.79154 
1 1 1 -2  4  32 o 260.1206 6.078247 1987.810       92.72643 1903.235       124.4212 2093.468       139.0678 254.1815 8.357780 266.5139 8.909783 -12.33246      12.21625 
1 1 1 -2  4  33 o 83.58150 12.68507 211.0653       60.22985 95.17538       81.73225 348.7893       89.09955 58.53674 19.91305 107.5605 14.49292 -49.02375      24.62873 
1 1 1 -2  4  34 o 74.21503 15.77802 169.5700       66.55756 176.7750       92.67268 161.8944       95.65118 75.59360 20.42386 72.73848 21.15679 2.855118       29.40653 
1 1 1 -2  4  35 o 307.2809 6.757412 2775.372       121.7774 2706.989       168.1118 2850.871       176.6431 302.9800 9.472569 310.8934 9.699877 -7.913422      13.55792 
1 1 1 -2  4  36 o 269.1216 6.739270 2130.760       106.2846 2055.548       144.0751 2220.562       157.4292 263.9316 9.322443 274.2441 9.803851 -10.31250      13.52862 
1 1 1 -2  4  37 o 136.5030 10.08789 552.9843       80.18877 554.5984       111.9513 551.2836       114.9148 135.9038 14.25786 135.3916 14.70823 0.5121307      20.48459 
1 1 1 -2  4  38 o 223.1779 9.020018 1471.934       117.8185 1395.584       189.7235 1519.860       150.3151 215.8027 15.08542 226.2804 11.36311 -10.47771      18.88625 
1 1 1 -2  4  39 o 256.4917 7.491336 1939.844       112.5687 1837.353       153.5941 2058.783       165.4596 248.9418 10.54413 263.4904 10.72966 -14.54858      15.04342 
1 1 1 -2  4  40 o 88.83868 16.45862 244.3498       82.59521 229.8301       112.0790 261.6072       122.1893 85.01938 22.23078 90.52676 22.97865 -5.507385      31.97227 
1 1 1 -2  4  41 o 124.2801 12.40757 464.9864       89.22806 526.8121       124.1902 399.0170       128.2845 131.1265 16.51451 112.6445 20.15860 18.48208       26.05951 
1 1 1 -2  4  42 o 224.3434 8.079737 1491.253       106.1332 1374.422       147.4943 1616.703       152.8383 214.1126 11.79132 232.4944 11.24238 -18.38181      16.29191 
1 1 1 -2  4  43 o 94.30733 15.76755 278.1019       84.13235 262.2855       121.7822 292.5425       116.3648 88.99123 23.12569 94.60817 21.46630 -5.616943      31.55312 
1 1 1 -2  4  44 o 177.3298 8.804669 938.0668       91.28193 795.9082       127.2701 1088.668       130.9948 161.4030 13.57068 189.8026 11.82673 -28.39963      18.00097 
1 1 1 -2  4  45 o 73.51582 18.97513 176.8125       82.36498 154.0794       120.0150 197.0525       113.2431 69.70724 24.11634 76.76077 23.19824 -7.053528      33.46276 
1 1 1 -2  4  46 o 119.2414 13.22109 439.3038       90.90620 432.6181       132.2753 445.2879       125.1426 114.5022 20.44802 117.1458 18.85474 -2.643562      27.81408 
1 1 1 -2  4  47 o 45.98450 19.38080 23.00678       89.22758 13.01613       123.9625 33.74814       128.5354 51.20451 22.23275 54.04461 23.03916 -2.840092      32.01715 
1 1 1 -2  4  48 o 237.9461 10.13745 1712.975       141.1437 1664.049       175.8174 1801.662       236.7119 232.2710 12.95810 237.4463 17.11304 -5.175308      21.46552 
1 1 1 -2  4  49 o 94.49006 19.85505 302.5337       106.5268 371.4757       155.9908 242.2841       145.8256 100.2346 26.23509 81.11608 26.57867 19.11852       37.34576 
1 1 1 -2  4  50 o 53.68205 21.53934 69.20239       103.3398 38.75550       150.8523 96.12440       141.8516 56.47777 24.52408 61.23410 24.99287 -4.756329      35.01534 
1 1 1 -2  4  51 o 219.3362 10.48302 1468.870       134.4586 1495.146       200.1228 1447.247       181.5390 215.8348 15.92181 213.8399 14.56229 1.994888       21.57694 
1 1 1 -2  5  1  o 318.0280 6.356914 2967.195       118.5666 2840.137       159.7783 3122.906       176.8797 310.9582 8.769994 326.0531 9.259323 -15.09491      12.75335 
1 1 1 -2  5  2  o 441.7995 8.119246 5727.808       210.3737 5809.035       302.3968 5651.624       292.8590 444.6006 11.60722 438.5486 11.39616 6.052032       16.26653 
1 1 1 -2  5  3  o 263.4861 5.209620 2036.417       80.50340 2049.324       125.1227 2027.300       105.1598 264.1402 8.086540 262.7786 6.829322 1.361603       10.58451 
1 1 1 -2  5  4  o 332.0553 5.517871 3234.358       107.4564 3304.964       154.2029 3167.706       149.8244 335.6024 7.834601 328.5613 7.775272 7.041138       11.03793 
1 1 1 -2  5  5  o 928.6946 12.83060 25339.16       698.8282 25628.23       1005.891 25069.47       971.5866 933.0443 18.38222 922.9001 17.95049 10.14410       25.69292 
1 1 1 -2  5  6  o 895.4592 12.27993 23557.21       644.8995 23690.69       918.3967 23427.38       905.7855 897.1379 17.45503 892.1661 17.31128 4.971802       24.58370 
1 1 1 -2  5  7  o 699.3177 9.889624 14359.82       405.6064 14567.23       580.4186 14161.86       567.0435 703.8710 14.06040 694.0255 13.93126 9.845520       19.79330 
1 1 1 -2  5  8  o 837.5670 11.65780 20614.73       572.6465 20493.39       804.4420 20739.38       815.3571 834.2274 16.44219 839.1927 16.56668 -4.965332      23.34097 
1 1 1 -2  5  9  o 960.8812 13.21627 27161.13       744.7821 27392.98       1064.811 26939.04       1042.117 963.3868 18.84609 955.4521 18.59761 7.934753       26.47728 
1 1 1 -2  5  10 o 653.0331 9.180233 12527.88       351.5923 12684.57       505.1193 12380.62       489.6929 656.4852 13.11953 648.6166 12.87316 7.868652       18.38044 
1 1 1 -2  5  11 o 539.1852 7.868659 8537.146       248.8222 8470.071       348.8098 8606.640       355.0487 536.6887 11.08194 540.9831 11.19061 -4.294434      15.74926 
1 1 1 -2  5  12 o 322.1439 5.347723 3045.012       101.0344 2936.841       139.8097 3163.251       146.1710 316.2737 7.537437 328.2356 7.593203 -11.96194      10.69905 
1 1 1 -2  5  13 o 296.9928 5.684775 2588.038       99.01698 2618.574       127.8853 2542.330       156.4590 298.6822 7.300634 294.0833 9.082395 4.598877       11.65286 
1 1 1 -2  5  14 o 945.4440 12.96373 26275.81       718.8137 26191.46       1012.894 26361.40       1020.258 942.7758 18.31914 945.8109 18.39311 -3.035095      25.95954 
1 1 1 -2  5  15 o 759.4931 13.13125 16949.28       584.8983 16939.79       826.0195 16958.83       828.3275 758.5106 18.56856 758.9299 18.61015 -0.4193115     26.28933 
1 1 1 -2  5  16 o 410.4580 7.983517 4943.585       192.1824 4817.396       262.1762 5090.136       282.5384 404.9142 11.05060 416.1866 11.58675 -11.27240      16.01152 
1 1 1 -2  5  17 o 723.2368 9.300940 15351.50       394.5099 15758.64       479.4514 14497.94       694.2188 732.6276 11.15863 702.1611 16.85812 30.46649       20.21660 
1 1 1 -2  5  18 o 364.5889 5.675116 3899.145       121.3469 3922.385       141.7234 3835.304       234.8930 365.6526 6.608795 361.2554 11.09994 4.397186       12.91840 
1 1 1 -2  5  19 o 527.0282 7.346343 8149.661       227.0678 8146.589       265.4306 8158.044       438.4793 526.8729 8.590030 526.6913 14.20821 0.1815186      16.60307 
1 1 1 -2  5  20 o 725.7721 9.601809 15462.47       408.6993 15435.90       478.5477 15534.09       785.6490 725.0056 11.25469 726.1882 18.46210 -1.182678      21.62214 
1 1 1 -2  5  21 o 500.1363 7.208863 7339.714       211.4490 7363.543       247.3332 7275.000       407.5993 500.8884 8.419589 497.2854 13.98972 3.603027       16.32794 
1 1 1 -2  5  22 o 597.3308 8.147731 10472.44       285.4316 10463.98       334.7681 10494.96       546.2565 596.9866 9.561564 597.0416 15.61401 -0.5505371E-01 18.30903 
1 1 1 -2  5  23 o 676.7812 9.062220 13449.04       359.6942 13388.60       421.6482 13610.60       689.3315 675.0886 10.64974 679.4282 17.31363 -4.339539      20.32680 
1 1 1 -2  5  24 o 159.0684 6.515612 743.8202       60.65538 697.2397       66.91946 958.2670       143.5854 153.9383 7.434319 179.9327 13.70982 -25.99442      15.59578 
1 1 1 -2  5  25 o 568.6702 11.90229 9513.151       396.9552 9513.151       396.9552 0.000000       0.000000 568.6702 11.90229 ?        ?        0.000000       11.90229 
1 1 1 -2  5  26 o 109.3904 7.971870 353.3437       50.79239 344.4879       54.74472 408.1167       136.1480 107.9282 8.723088 115.5967 20.84930 -7.668503      22.60057 
1 1 1 -2  5  27 o 353.3522 6.384447 3665.969       132.3066 3614.634       156.1032 3796.904       249.3049 350.7774 7.588041 358.8546 11.86203 -8.077148      14.08141 
1 1 1 -2  5  28 o 136.1628 6.909986 546.0027       55.00017 578.7162       60.83535 399.5965       128.6981 140.1478 7.428020 114.3361 19.91616 25.81170       21.25627 
1 1 1 -2  5  29 o 225.0207 6.803233 1488.919       89.67868 1467.281       105.9856 1543.458       168.2651 223.2476 8.108336 228.3490 12.61348 -5.101456      14.99483 
1 1 1 -2  5  30 o 375.4975 6.477610 4142.480       142.6502 4244.529       202.0162 4040.992       201.4606 379.7481 9.070684 370.3842 9.281743 9.363983       12.97798 
1 1 1 -2  5  31 o 291.4510 6.058717 2495.319       103.5611 2498.369       144.3956 2492.088       148.6104 291.2610 8.462170 290.8554 8.721929 0.4055786      12.15238 
1 1 1 -2  5  32 o 390.0834 6.682641 4472.104       152.8819 4100.521       198.2510 5017.280       240.1351 373.1755 9.058405 412.6187 9.923306 -39.44318      13.43602 
1 1 1 -2  5  33 o 167.8632 7.473812 830.2249       73.39354 796.6713       99.22606 870.7569       109.0574 164.0650 10.36538 171.4718 10.90100 -7.406845      15.04236 
1 1 1 -2  5  34 o 209.4327 7.276505 1291.131       89.23960 1149.676       117.4414 1484.397       137.2745 197.2387 10.18715 224.1403 10.47181 -26.90158      14.60948 
1 1 1 -2  5  35 o 61.09906 18.02475 113.1610       69.00400 24.10805       94.69109 214.0041       100.7646 49.29033 20.30220 82.89777 20.77074 -33.60744      29.04485 
1 1 1 -2  5  36 o 239.3645 7.130852 1686.654       99.99245 1755.315       140.5919 1616.370       142.2439 243.7674 9.854406 233.8058 10.39958 9.961548       14.32692 
1 1 1 -2  5  37 o 404.0974 7.418908 4806.251       175.8233 4765.952       242.5204 4850.900       255.2729 401.5787 10.30591 405.0037 10.75672 -3.425018      14.89694 
1 1 1 -2  5  38 o 271.3261 7.406683 2169.479       117.7496 1998.667       156.7938 2390.417       178.3218 259.8097 10.31066 284.0601 10.72319 -24.25040      14.87604 
1 1 1 -2  5  39 o 194.5796 8.228958 1118.564       93.69383 1083.191       124.0414 1165.558       142.9721 190.8820 11.12855 197.7133 12.39238 -6.831284      16.65580 
1 1 1 -2  5  40 o 138.7198 11.19874 574.6665       90.33450 664.2288       122.9870 469.7410       133.1182 148.4012 14.30813 123.1463 19.04578 25.25493       23.82151 
1 1 1 -2  5  41 o 190.9954 8.980982 1081.867       100.3181 1100.689       140.7736 1062.446       142.9948 191.6233 12.59614 188.1036 13.04279 3.519669       18.13221 
1 1 1 -2  5  42 o 139.3065 11.04999 582.4753       89.53929 623.5961       128.8499 544.0738       124.5166 142.5705 15.66796 132.8135 16.32911 9.757004       22.63017 
1 1 1 -2  5  43 o 140.0668 10.33969 588.8940       84.33753 556.1289       119.2920 621.6362       119.2505 134.2124 15.43617 142.3935 14.48095 -8.181091      21.16538 
1 1 1 -2  5  44 o 119.9031 11.79778 436.8073       81.88905 491.3558       125.6724 396.5563       107.9538 124.7012 17.67878 112.1571 16.93943 12.54415       24.48435 
1 1 1 -2  5  45 o 140.1719 11.02456 594.6904       89.90122 569.4578       127.2995 619.7966       126.9801 134.6305 16.46473 140.9755 15.62002 -6.344940      22.69521 
1 1 1 -2  5  46 o 100.5942 16.15003 322.1246       92.05537 361.2729       131.4406 284.4362       128.9665 103.2521 22.35497 90.59673 23.92290 12.65534       32.74218 
1 1 1 -2  5  47 o 57.41503 21.12117 95.88453       93.47819 99.34990       132.1354 92.41257       132.2609 61.93215 24.51811 61.09464 24.41718 0.8375168      34.60255 
1 1 1 -2  5  48 o 72.16669 24.27192 179.4365       121.4164 -50.96700      218.3038 282.6306       146.0980 59.22702 27.26348 87.92477 26.29956 -28.69775      37.88092 
1 1 1 -2  5  49 o 103.2357 26.01666 392.4236       157.4355 392.4236       157.4355 0.000000       0.000000 103.2357 26.01666 ?        ?        0.000000       26.01666 
1 1 1 -2  5  50 o 48.64293 20.92836 22.86526       107.8701 69.72529       158.8780 -17.20910      146.9250 60.18871 25.63506 51.19613 23.09653 8.992580       34.50516 
1 1 1 -2  5  51 o 121.9001 17.61584 490.2869       122.2902 631.7245       183.1159 376.4236       164.2992 132.2904 24.50410 98.74649 27.40495 33.54388       36.76251 
1 1 1 -2  6  1  o 390.6187 7.388935 4477.027       169.2721 4285.468       227.1534 4716.234       253.8368 381.9337 10.15000 400.6345 10.81317 -18.70084      14.83061 
1 1 1 -2  6  2  o 264.2787 5.719774 2048.814       88.65261 2139.321       129.8584 1969.812       121.3237 269.8762 8.214117 258.9652 7.997877 10.91098       11.46463 
1 1 1 -2  6  3  o 484.7763 8.785696 6897.399       249.7860 7121.949       366.9517 6703.513       340.9782 492.2035 12.72266 477.5659 12.18422 14.63763       17.61594 
1 1 1 -2  6  4  o 598.2551 9.387755 10506.27       329.3811 10463.61       519.4326 10534.96       425.9769 596.5701 14.84626 598.8615 12.12856 -2.291321      19.17064 
1 1 1 -2  6  5  o 31.14505 10.17013 27.33690       21.35951 24.25163       30.24305 30.40747       30.17089 32.54539 12.00651 34.37841 12.07885 -1.833023      17.03100 
1 1 1 -2  6  6  f 780.3091 10.76850 17883.14       492.8020 17976.40       704.8472 17793.96       689.2684 781.6971 15.37467 777.7629 15.11091 3.934204       21.55737 
1 1 1 -2  6  7  o 729.3669 10.23685 15624.67       437.8878 15554.29       611.5124 15698.74       627.3242 727.1605 14.33919 730.4799 14.64311 -3.319458      20.49470 
1 1 1 -2  6  8  o 474.0734 7.109689 6596.292       197.6727 6495.751       275.3222 6703.257       283.9817 470.2425 9.983178 477.6813 10.13682 -7.438843      14.22740 
1 1 1 -2  6  9  o 526.9955 7.603834 8153.870       235.0120 8080.659       327.9729 8231.132       336.9221 524.3154 10.66584 529.1517 10.85672 -4.836304      15.21935 
1 1 1 -2  6  10 o 62.54267 7.485023 116.4842       26.91033 143.8171       39.27084 92.28778       36.94909 69.25227 9.954801 54.96738 11.81359 14.28490       15.44859 
1 1 1 -2  6  11 o 348.2866 5.657597 3559.611       115.5631 3580.270       164.2744 3539.370       162.6004 349.1706 8.021981 347.1726 7.985930 1.997925       11.31933 
1 1 1 -2  6  12 o 447.6042 7.398069 5881.380       194.2062 5973.830       253.5265 5750.097       302.1170 450.9426 9.586312 442.0724 11.66301 8.870178       15.09713 
1 1 1 -2  6  13 o 40.86996 13.93763 45.08124       40.04390 62.39458       55.06060 25.64205       58.34310 47.99349 16.34382 40.96442 16.26799 7.029068       23.06009 
1 1 1 -2  6  14 o 639.1212 11.26447 11998.01       422.2254 11811.15       583.7700 12203.00       611.4232 633.6271 15.70932 643.7839 16.20678 -10.15674      22.57083 
1 1 1 -2  6  15 o 144.6490 7.061409 615.3469       59.72318 656.8824       82.18054 568.8575       86.94321 149.3000 9.433761 138.7775 10.76649 10.52252       14.31479 
1 1 1 -2  6  16 o 834.1456 11.19257 20428.83       547.5482 20794.46       794.1917 20097.59       755.9250 841.0192 16.10159 826.8735 15.58796 14.14569       22.41084 
1 1 1 -2  6  17 o 504.4306 7.419921 7465.524       219.5084 7535.223       312.9081 7397.989       308.0133 506.6397 10.53094 502.0085 10.46183 4.631195       14.84421 
1 1 1 -2  6  18 o 813.4630 10.53672 19426.51       502.6827 19570.86       598.8318 19082.10       924.9770 816.2880 12.50867 805.0857 19.59018 11.20227       23.24310 
1 1 1 -2  6  19 o 840.9909 10.90278 20766.74       537.7483 20845.09       636.7472 20571.86       1004.165 842.3583 12.88901 835.6612 20.48918 6.697144       24.20605 
1 1 1 -2  6  20 o 583.9012 8.091546 10005.39       277.0904 9922.773       321.6011 10243.41       545.8900 581.4055 9.431656 589.9590 15.79150 -8.553528      18.39369 
1 1 1 -2  6  21 o 190.4939 6.557551 1065.949       73.15182 1107.589       80.73904 875.1121       172.8467 194.1548 7.102602 171.5446 17.42180 22.61023       18.81399 
1 1 1 -2  6  22 o 493.4516 7.011629 7145.219       202.9149 7106.441       235.5113 7256.941       399.7540 492.0493 8.161175 496.6099 13.73866 -4.560577      15.97985 
1 1 1 -2  6  23 o 459.0897 6.702822 6185.102       180.4703 6034.167       204.9086 6707.068       381.0537 453.3979 7.706023 477.3065 13.62646 -23.90857      15.65449 
1 1 1 -2  6  24 o 155.3334 6.762161 709.5259       61.45527 696.4613       68.21042 765.8578       141.6380 153.8377 7.583647 160.5251 15.22686 -6.687424      17.01085 
1 1 1 -2  6  25 o 252.3351 5.554553 1868.487       82.20104 1817.666       91.27051 2086.755       189.1485 248.7770 6.260585 266.0277 12.15555 -17.25069      13.67305 
1 1 1 -2  6  26 o 244.1119 5.479840 1748.880       78.45261 1807.476       89.27151 1550.131       164.4110 248.1416 6.134269 229.1151 12.28051 19.02646       13.72735 
1 1 1 -2  6  27 o 267.6316 5.399384 2102.355       84.74851 2124.336       96.21542 2026.277       179.0019 268.9919 6.098948 262.0328 11.67733 6.959106       13.17412 
1 1 1 -2  6  28 o 144.5408 7.113753 615.2604       60.11785 630.1774       66.35896 546.9612       141.9928 146.2277 7.765681 134.5168 18.48709 11.71089       20.05189 
1 1 1 -2  6  29 o 259.4633 5.603517 1976.680       85.26820 1944.732       95.61283 2100.818       188.4730 257.3115 6.335873 266.5870 12.08623 -9.275452      13.64625 
1 1 1 -2  6  30 o 322.5037 5.714460 3054.555       108.0837 3141.097       125.3853 2804.271       213.2306 326.9638 6.538776 308.0219 11.82565 18.94199       13.51301 
1 1 1 -2  6  31 o 85.53702 17.43988 225.4135       84.51808 248.2722       105.8093 185.1188       140.4825 89.35285 20.61131 79.46807 26.08991 9.884781       33.24920 
1 1 1 -2  6  32 o 150.8743 7.659009 671.1851       67.54842 659.0989       94.36018 683.8886       96.74004 149.0895 10.86634 151.8713 10.93445 -2.781784      15.41556 
1 1 1 -2  6  33 o 266.1626 6.621173 2081.917       103.3552 1885.613       136.8668 2342.404       157.6619 252.8754 9.244268 281.8312 9.552463 -28.95580      13.29308 
1 1 1 -2  6  34 o 245.8516 7.122560 1778.406       102.5892 1856.341       143.5074 1696.952       146.7117 250.8169 9.774604 239.6793 10.46240 11.13759       14.31798 
1 1 1 -2  6  35 o 251.8402 10.40031 1873.750       153.2803 0.000000       0.000000 1873.750       153.2803 ?        ?        251.8402 10.40031 0.000000       10.40031 
1 1 1 -2  6  36 o 237.2161 7.258708 1656.883       100.8655 1600.520       136.6300 1724.393       149.5323 232.7060 10.03482 241.4543 10.58538 -8.748322      14.58588 
1 1 1 -2  6  37 o 191.9092 8.219590 1087.026       92.29737 1002.494       123.4198 1194.286       139.0257 183.6983 11.51381 200.4840 11.87723 -16.78577      16.54196 
1 1 1 -2  6  38 o 131.5463 11.13185 515.9136       85.07541 501.8145       115.8091 532.4422       125.3909 128.6906 15.66669 132.3858 16.50775 -3.695190      22.75854 
1 1 1 -2  6  39 o 39.99539 17.39401 -10.20298      76.13193 -3.951295      101.8015 -18.13629      114.6787 47.10983 20.30056 48.47677 21.21022 -1.366943      29.35960 
1 1 1 -2  6  40 o 355.5352 7.445186 3727.020       155.2418 3645.169       210.2439 3825.148       230.2011 350.6149 10.23547 358.8877 10.94981 -8.272827      14.98876 
1 1 1 -2  6  41 o 161.1263 9.838925 772.7969       92.53143 806.1723       130.4971 739.0485       131.2243 163.4494 13.74051 156.2016 14.48963 7.247803       19.96875 
1 1 1 -2  6  42 o 31.85073 15.12594 -89.24043      76.50217 -124.8109      106.6043 -51.47134      109.8495 37.29975 17.75408 43.64415 19.80228 -6.344402      26.59582 
1 1 1 -2  6  43 f 164.9014 9.587383 812.8809       92.32049 881.1810       133.2698 749.8649       128.0107 170.1743 13.46287 156.6345 14.08532 13.53981       19.48449 
1 1 1 -2  6  44 o 140.9703 11.02955 600.1147       90.46219 609.9580       132.0788 591.4171       124.1543 139.7401 16.42971 137.9776 15.61697 1.762497       22.66771 
1 1 1 -2  6  45 o 41.00227 17.96848 -8.321190      82.59420 -10.09266      122.7922 -6.857471      111.6175 49.32456 21.75173 47.49132 20.84797 1.833241       30.12931 
1 1 1 -2  6  46 o 40.76154 18.12665 -18.09394      87.03950 10.69248       126.6764 -43.83844      119.7965 51.63350 22.44639 45.43000 20.63890 6.203495       30.49270 
1 1 1 -2  6  47 o 133.4415 13.05138 550.7952       100.8360 597.1774       141.5256 502.9723       143.7067 135.8141 18.22784 122.8839 20.67347 12.93016       27.56168 
1 1 1 -2  6  48 o 48.65664 20.30328 35.86029       96.43259 64.32368       137.3821 8.215444       135.3923 57.95457 24.21214 52.14341 22.92333 5.811161       33.34227 
1 1 1 -2  6  49 o 70.67371 22.53897 173.5322       105.3059 409.9299       156.6968 -21.16370      142.2057 105.9573 25.52141 50.41228 22.73458 55.54506       34.17900 
1 1 1 -2  6  50 o 94.93786 26.39022 339.8807       152.2237 373.1718       174.7962 235.3747       309.6978 97.58225 28.66138 81.48405 35.26136 16.09820       45.44049 
1 1 1 -2  6  51 f 233.5170 10.83531 1669.239       147.9874 1921.084       215.6245 1444.974       203.4751 245.8730 15.02503 211.4207 16.54178 34.45233       22.34686 
1 1 1 -2  7  1  o 742.2610 12.79834 16187.79       557.1353 15541.16       743.5605 17015.53       841.2728 726.6727 17.44725 760.1258 18.87126 -33.45306      25.70079 
1 1 1 -2  7  2  o 495.4105 8.950984 7204.045       260.0677 7269.052       371.5605 7141.611       364.1346 497.2275 12.75212 492.8614 12.60792 4.366180       17.93254 
1 1 1 -2  7  3  o 323.9724 6.530151 3079.431       124.0743 3106.026       176.4738 3053.433       174.4783 325.1482 9.263844 322.3831 9.237759 2.765045       13.08262 
1 1 1 -2  7  4  o 755.7314 13.01209 16785.38       576.7202 17253.35       845.9722 16379.06       788.2906 765.2509 18.84958 745.7601 18.02340 19.49084       26.07968 
1 1 1 -2  7  5  o 192.0398 4.658165 1081.778       52.46344 1059.586       72.69052 1105.905       75.79588 189.9191 6.535912 194.0236 6.670939 -4.104462      9.339142 
1 1 1 -2  7  6  o 719.7817 10.07584 15216.61       425.3365 15389.67       608.3787 15051.16       594.8819 723.2690 14.34246 715.2964 14.18059 7.972656       20.16916 
1 1 1 -2  7  7  o 405.6651 6.339497 4829.115       150.8249 4886.187       215.4027 4774.220       211.2549 407.9063 9.004098 403.2102 8.933564 4.696106       12.68394 
1 1 1 -2  7  8  o 277.9796 5.034817 2267.133       82.08185 2191.401       113.3236 2350.714       119.0506 273.1349 7.080419 282.8887 7.181527 -9.753784      10.08497 
1 1 1 -2  7  9  o 186.7717 4.593264 1023.405       50.31332 1051.892       71.88222 996.0447       70.44705 189.1980 6.487799 184.0981 6.535103 5.099915       9.208643 
1 1 1 -2  7  10 o 129.9260 5.048266 496.0380       38.39383 518.9844       56.34819 476.1531       52.45478 132.7587 7.264822 127.1610 7.061379 5.597679       10.13118 
1 1 1 -2  7  11 o 355.8304 5.704881 3715.350       119.0529 3670.257       167.3752 3761.528       169.3752 353.5449 8.072275 357.9140 8.069018 -4.369110      11.41362 
1 1 1 -2  7  12 o 435.1641 6.583634 5557.245       168.0232 5585.388       239.4568 5529.949       235.8261 436.0938 9.362607 433.9310 9.266606 2.162750       13.17302 
1 1 1 -2  7  13 o 616.1370 10.89501 11150.99       393.6910 11088.19       551.8937 11216.06       561.7637 613.8888 15.32905 617.1980 15.53187 -3.309204      21.82244 
1 1 1 -2  7  14 o 688.8295 9.655007 13929.04       390.0451 13894.42       551.8168 13963.61       551.3977 687.5920 13.68402 689.3068 13.63961 -1.714722      19.32075 
1 1 1 -2  7  15 o 397.7205 7.878440 4641.460       183.7675 4747.958       264.3343 4541.841       255.6559 401.9690 11.22369 393.1494 11.09897 8.819641       15.78475 
1 1 1 -2  7  16 o 435.4502 8.421580 5564.177       215.0714 5539.657       299.2597 5590.370       309.3026 434.1869 11.76309 436.1445 12.10383 -1.957611      16.87818 
1 1 1 -2  7  17 o 317.3595 7.372486 2955.024       137.2195 2954.494       189.3019 2955.612       199.1910 317.0888 10.19268 317.1136 10.72580 -0.2481079E-01 14.79640 
1 1 1 -2  7  18 o 270.7627 6.898481 2152.280       109.4559 2045.916       127.7550 2445.843       212.2433 263.9151 8.264163 288.2896 12.58351 -24.37448      15.05461 
1 1 1 -2  7  19 o 242.7646 6.021478 1728.892       85.73120 1820.479       96.99022 1401.688       183.3251 249.0121 6.647305 217.9047 14.42636 31.10736       15.88416 
1 1 1 -2  7  20 o 531.5612 7.509294 8291.351       234.1008 8365.243       275.4885 8099.343       444.0794 533.8563 8.798903 524.6873 14.44518 9.169006       16.91402 
1 1 1 -2  7  21 o 112.9005 10.69312 377.6872       69.95901 448.9548       78.47841 101.8659       154.3896 123.1492 10.98103 70.49023 26.88844 52.65898       29.04430 
1 1 1 -2  7  22 o 301.8190 5.622487 2672.525       99.52346 2603.275       111.6547 2940.268       219.5457 297.8621 6.391626 316.0943 11.86395 -18.23224      13.47613 
1 1 1 -2  7  23 o 317.1996 5.650367 2952.132       105.1138 2936.294       119.6599 3005.652       219.9695 316.3199 6.450174 319.5412 11.75780 -3.221283      13.41084 
1 1 1 -2  7  24 o 114.1340 8.654894 384.7809       57.50130 384.7809       57.50130 0.000000       0.000000 114.1340 8.654894 ?        ?        0.000000       8.654894 
1 1 1 -2  7  25 o 579.8895 7.929619 9876.094       269.6796 9794.670       313.3736 10108.54       529.4754 577.3320 9.255210 585.2086 15.44060 -7.876587      18.00197 
1 1 1 -2  7  26 o 321.7688 5.596846 3038.815       105.6180 2988.573       119.7562 3214.704       224.0715 319.0530 6.400066 330.2553 11.58670 -11.20224      13.23678 
1 1 1 -2  7  27 o 224.9126 6.189085 1486.411       81.56007 1474.106       93.52415 1525.489       166.6626 223.9035 7.131263 227.1355 12.56021 -3.231964      14.44347 
1 1 1 -2  7  28 o 418.5838 6.326619 5145.768       155.3119 5136.841       178.8821 5173.103       313.0332 418.1152 7.294917 418.5207 12.76824 -0.4055176     14.70523 
1 1 1 -2  7  29 o 101.8116 9.192285 307.5103       54.29663 337.2253       59.32902 154.3058       134.7146 106.6037 9.591989 74.47897 25.55948 32.12470       27.30006 
1 1 1 -2  7  30 f 198.1685 6.122211 1154.705       71.06770 1169.373       79.28963 1094.776       160.2654 199.3624 6.791367 191.7674 14.35414 7.594986       15.87967 
1 1 1 -2  7  31 o 224.2496 6.066360 1478.422       79.70972 1480.412       89.04736 1470.399       178.8063 224.3295 6.776140 222.4606 13.77254 1.868866       15.34923 
1 1 1 -2  7  32 o 171.8864 8.060398 871.0972       81.02843 844.4836       91.56760 967.1567       173.9644 169.0851 9.269375 179.6090 16.70669 -10.52388      19.10588 
1 1 1 -2  7  33 o 144.4128 9.386804 616.7867       79.07047 561.5539       109.4649 677.0480       114.3393 137.0624 13.80567 150.7611 13.06040 -13.69872      19.00449 
1 1 1 -2  7  34 o 115.0107 14.62495 398.1689       96.41888 484.4438       159.6255 348.6091       120.9833 125.1442 22.57970 106.2844 20.14623 18.85985       30.26076 
1 1 1 -2  7  35 o 182.5100 7.999011 982.0695       85.41170 966.0426       115.0270 1001.766       127.5171 180.5917 10.91144 183.7408 11.89743 -3.149094      16.14337 
1 1 1 -2  7  36 o 235.0088 7.289541 1626.403       100.3481 1570.860       133.9828 1697.366       151.4432 230.5375 9.932925 239.4864 10.81035 -8.948868      14.68082 
1 1 1 -2  7  37 o 143.4556 9.918321 610.5801       82.93241 495.8274       112.2010 748.7707       123.1273 128.1135 15.23093 158.2325 13.39378 -30.11902      20.28237 
1 1 1 -2  7  38 o 34.64656 15.93795 -53.90821      74.43081 -13.30373      105.4552 -94.21500      105.0679 46.97711 20.45044 39.54564 18.44729 7.431465       27.54130 
1 1 1 -2  7  39 o 191.6190 8.536741 1085.708       95.69505 1185.635       130.6418 970.0155       140.5694 199.6768 11.20078 179.9846 13.41340 19.69214       17.47503 
1 1 1 -2  7  40 o 185.3753 9.194777 1018.817       99.65202 979.0738       136.5738 1064.068       145.7298 180.7368 12.97083 188.3598 13.27704 -7.622971      18.56131 
1 1 1 -2  7  41 o 236.7855 7.858243 1658.517       108.9755 1886.776       153.7294 1427.956       154.5029 251.7519 10.43461 218.3711 12.11143 33.38081       15.98649 
1 1 1 -2  7  42 o 228.5140 7.782228 1547.309       104.1437 1584.420       143.2996 1505.767       151.6148 230.2094 10.64261 224.0160 11.57946 6.193344       15.72734 
1 1 1 -2  7  43 o 86.06078 16.76830 234.9253       81.59060 254.8989       117.8914 216.5634       113.0349 87.62287 22.74484 80.90591 22.83226 6.716957       32.22793 
1 1 1 -2  7  44 o 38.95061 17.22702 -16.16925      77.55775 131.0162       109.6135 -163.7300      109.7531 65.58197 23.02459 35.38832 17.14106 30.19365       28.70449 
1 1 1 -2  7  45 o 46.60934 19.11200 33.52856       83.42860 15.30974       123.5738 48.78810       113.0933 51.88904 22.36320 53.88057 22.18959 -1.991528      31.50382 
1 1 1 -2  7  46 o 124.6094 13.03035 479.3606       93.82035 547.2999       131.3262 408.5415       134.0807 130.7008 17.57779 110.3818 21.48507 20.31898       27.75945 
1 1 1 -2  7  47 o 97.78182 17.13824 309.7213       94.70137 256.4960       136.3016 359.3939       131.6742 84.81511 25.41026 102.2375 22.56547 -17.42242      33.98355 
1 1 1 -2  7  48 o 110.7829 16.95512 397.5870       106.6611 348.9184       153.2593 443.3012       148.5348 97.51288 26.22986 112.7081 23.24325 -15.19524      35.04646 
1 1 1 -2  7  49 o 41.64844 19.06183 -44.09535      104.6435 -72.03625      152.3705 -19.15264      143.9635 48.35115 22.43952 50.81297 22.89860 -2.461811      32.06054 
1 1 1 -2  7  50 o 79.45485 23.11281 227.2168       114.1498 210.6546       172.1130 240.2229       152.5212 75.86276 28.51374 79.80880 27.20139 -3.946037      39.40747 
1 1 1 -2  7  51 o 143.2958 20.29494 698.5757       165.7909 786.4745       190.6668 426.1066       335.6932 150.0579 22.34595 93.42945 38.32677 56.62849       44.36533 
1 1 1 -2  8  1  o 481.4927 8.757205 6805.442       247.2895 6762.486       346.4642 6850.053       353.0697 479.5660 12.32877 482.6464 12.48377 -3.080322      17.54545 
1 1 1 -2  8  2  o 759.9213 13.08842 16974.65       583.3192 16736.15       808.9310 17233.02       841.9341 753.7007 18.30046 764.7134 18.77279 -11.01276      26.21688 
1 1 1 -2  8  3  o 914.3156 15.57281 24600.96       835.0521 25177.59       1219.173 24091.38       1146.096 923.1893 22.51769 903.3119 21.63380 19.87744       31.22608 
1 1 1 -2  8  4  o 285.3909 6.138884 2389.768       102.7496 2359.131       142.5992 2422.851       148.1812 283.3462 8.591146 287.1357 8.809872 -3.789459      12.30535 
1 1 1 -2  8  5  o 313.2739 5.886638 2879.544       108.1539 2844.636       166.0605 2905.260       142.5276 311.1090 9.111111 314.6029 7.724774 -3.493958      11.94506 
1 1 1 -2  8  6  o 340.0973 5.735813 3393.880       114.4060 3336.854       160.2348 3453.182       163.4005 337.1236 8.104333 342.9486 8.124072 -5.824982      11.47522 
1 1 1 -2  8  7  o 391.2246 6.199203 4491.877       142.2370 4455.045       199.3170 4530.098       203.0417 389.4612 8.726287 392.7216 8.815563 -3.260315      12.40412 
1 1 1 -2  8  8  o 335.4153 5.664600 3301.410       111.4301 3260.152       155.5452 3344.907       159.7093 333.1959 7.959879 337.4925 8.068922 -4.296661      11.33434 
1 1 1 -2  8  9  o 305.7949 5.337597 2743.845       95.72525 2746.475       135.9964 2741.262       134.7639 305.8416 7.581940 305.5544 7.520288 0.2871704      10.67898 
1 1 1 -2  8  10 o 325.7033 5.513927 3112.747       105.3255 3183.967       151.4757 3046.081       146.5519 329.3001 7.843330 322.0953 7.758120 7.204834       11.03206 
1 1 1 -2  8  11 o 219.1344 6.017360 1410.130       77.26021 1351.323       105.6802 1477.646       113.2355 214.3637 8.422443 224.1589 8.629548 -9.795212      12.05847 
1 1 1 -2  8  12 o 323.4396 5.480189 3069.055       103.9535 2989.856       144.8496 3153.167       149.2753 319.1669 7.738359 327.7667 7.765556 -8.599762      10.96294 
1 1 1 -2  8  13 o 415.8563 8.045376 5075.248       196.2186 4878.879       264.0503 5317.411       293.2273 407.4363 11.06059 425.3047 11.76715 -17.86841      16.14938 
1 1 1 -2  8  14 o 356.8288 7.388034 3735.882       154.6106 3645.088       211.9196 3839.206       226.0706 352.2214 10.26997 361.4582 10.67608 -9.236786      14.81387 
1 1 1 -2  8  15 o 797.6884 13.76389 18693.98       643.9095 18422.20       891.1446 18990.90       931.4427 791.1667 19.20568 803.1979 19.77348 -12.03119      27.56535 
1 1 1 -2  8  16 o 521.5352 9.642167 7983.409       294.9231 7952.252       412.0152 8016.148       422.3450 520.1103 13.51872 522.1696 13.80341 -2.059265      19.32071 
1 1 1 -2  8  17 o 478.5506 7.275175 6719.145       204.1841 6524.892       280.5730 6937.848       297.7079 471.4604 10.14729 486.1356 10.44197 -14.67514      14.56030 
1 1 1 -2  8  18 o 673.9697 9.652977 13333.46       381.5506 13594.36       552.6136 13095.77       527.4534 680.1657 13.85340 667.6143 13.47125 12.55145       19.32334 
1 1 1 -2  8  19 o 360.8543 6.753560 3820.454       142.9273 3910.164       203.9606 3733.895       200.3472 364.8457 9.540240 356.5182 9.590600 8.327484       13.52759 
1 1 1 -2  8  20 o 751.1548 9.851731 16565.86       434.0028 16843.92       521.1666 15936.79       783.9006 757.2375 11.73529 735.6689 18.16888 21.56860       21.62927 
1 1 1 -2  8  21 o 595.8858 8.099148 10421.82       283.0433 10485.18       334.5963 10262.42       530.7370 597.5879 9.547043 590.4161 15.34047 7.171814       18.06865 
1 1 1 -2  8  22 o 99.17707 9.906995 291.7585       56.85376 314.9986       62.05055 170.1889       141.9183 103.0313 10.41166 78.18608 26.24079 24.84522       28.23086 
1 1 1 -2  8  23 o 358.3597 6.948444 3769.313       146.0351 3806.108       181.5155 3701.792       245.8882 360.0159 8.596892 354.6266 11.83927 5.389313       14.63130 
1 1 1 -2  8  24 f 592.1899 8.006748 10298.32       278.0787 10200.62       322.1260 10584.09       550.9144 589.2239 9.321695 598.9271 15.69763 -9.703186      18.25677 
1 1 1 -2  8  25 o 395.0851 6.072825 4581.652       140.7123 4609.750       164.3770 4504.596       272.2127 396.2263 7.073712 391.0355 11.88354 5.190796       13.82953 
1 1 1 -2  8  26 o 311.1356 6.075959 2841.924       110.8703 2846.095       129.8720 2830.717       212.8911 311.2984 7.113579 309.8229 11.73761 1.475555       13.72496 
1 1 1 -2  8  27 o 217.2513 5.705515 1386.578       72.63263 1364.722       79.91543 1490.366       174.1445 215.4850 6.330442 224.3548 13.29460 -8.869781      14.72484 
1 1 1 -2  8  28 f 431.3290 6.443542 5464.533       162.9986 5467.686       188.3046 5455.110       325.5308 431.3347 7.443821 429.6971 12.93224 1.637573       14.92157 
1 1 1 -2  8  29 o 534.7005 7.456777 8404.509       233.8365 8524.965       277.0027 8105.814       436.1965 538.2637 8.774822 523.2267 14.22804 15.03705       16.71630 
1 1 1 -2  8  30 o 225.9595 5.900926 1500.734       78.13208 1529.792       87.06910 1380.586       177.0478 228.0796 6.515871 215.5071 14.08526 12.57245       15.51938 
1 1 1 -2  8  31 o 604.5368 8.362688 10754.47       296.4962 10528.20       339.5533 11480.80       608.3582 597.7863 9.685264 621.1547 16.71491 -23.36841      19.31819 
1 1 1 -2  8  32 o 58.01471 18.92740 97.10060       73.98902 3.719121       81.49502 535.1277       176.5026 43.45855 18.42884 131.3703 23.78427 -87.91173      30.08843 
1 1 1 -2  8  33 o 136.9505 9.796372 555.3864       78.16308 610.6639       85.51984 274.9325       192.6298 143.5777 10.22303 95.25159 30.49521 48.32614       32.16315 
1 1 1 -2  8  34 o 37.00470 16.40940 -23.74631      70.82404 -44.43674      75.48515 128.4376       204.7205 36.06481 16.38381 78.92679 30.73496 -42.86198      34.82911 
1 1 1 -2  8  35 f 180.7754 7.916317 963.5350       83.72571 995.5866       114.6654 926.9310       122.5384 183.3553 10.70985 176.6923 11.89438 6.662949       16.00553 
1 1 1 -2  8  36 o 314.7253 6.977787 2913.636       128.7953 2827.704       171.2119 3025.654       195.4789 309.5087 9.443195 319.9388 10.43190 -10.43018      14.07119 
1 1 1 -2  8  37 o 247.8035 7.231180 1809.188       104.9790 1673.617       137.3571 1999.602       162.7866 237.8420 9.868621 259.8143 10.70623 -21.97229      14.56067 
1 1 1 -2  8  38 o 279.0952 7.156789 2295.250       117.0476 2213.267       156.6232 2398.953       176.1533 273.4872 9.780666 284.5279 10.57479 -11.04071      14.40443 
1 1 1 -2  8  39 o 296.6595 7.268923 2593.055       126.4675 2544.763       170.1155 2652.720       189.0894 293.1223 9.909908 299.0052 10.80070 -5.882996      14.65815 
1 1 1 -2  8  40 o 195.0691 8.848597 1127.356       100.9674 1183.450       142.5677 1070.912       143.0121 198.9460 12.27883 188.9976 12.98110 9.948441       17.86837 
1 1 1 -2  8  41 o 84.76041 17.37141 226.2180       83.44924 251.9364       119.6640 201.8700       116.4325 88.08105 22.94090 79.25793 23.42195 8.823120       32.78525 
1 1 1 -2  8  42 o 31.74262 15.04816 -84.70399      75.07138 -69.11009      105.2792 -100.8352      107.0776 40.98110 18.88926 38.97394 18.32205 2.007156       26.31543 
1 1 1 -2  8  43 o 58.86760 19.33840 106.3831       77.17767 323.2811       110.7684 -98.25484      107.5923 100.0764 19.57419 39.11034 18.37986 60.96601       26.85085 
1 1 1 -2  8  44 o 116.8057 13.01069 418.4576       87.61697 427.7929       126.5004 409.8498       121.4708 115.1948 19.41392 112.9021 19.02039 2.292702       27.17859 
1 1 1 -2  8  45 o 67.68428 20.67231 150.3933       89.60255 85.12344       129.1248 211.0121       124.4393 60.48275 24.14158 78.67984 24.42142 -18.19709      34.33980 
1 1 1 -2  8  46 o 48.04579 19.72648 38.09357       89.02614 61.52273       127.6387 15.89755       124.2343 57.07871 23.54677 51.65191 22.34250 5.426800       32.45979 
1 1 1 -2  8  47 o 81.91994 20.89165 228.6999       100.6712 246.4788       143.5703 211.5032       141.2004 82.81377 26.30656 77.55177 26.17506 5.262009       37.11023 
1 1 1 -2  8  48 o 83.01164 21.94536 240.1320       108.4460 234.4236       160.4499 244.9329       147.1441 80.05088 27.87396 81.76955 26.69280 -1.718666      38.59357 
1 1 1 -2  8  49 o 72.68436 22.64066 185.4262       106.8486 1.782144       157.1642 343.2550       145.6997 54.35102 24.25177 96.66151 25.38161 -42.31049      35.10519 
1 1 1 -2  8  50 o 118.0125 17.39134 458.0912       116.7638 364.0503       172.9645 536.8322       158.2700 96.15595 28.58065 123.5314 22.68153 -27.37545      36.48706 
1 1 1 -2  8  51 o 50.11668 21.64012 26.84367       116.1382 80.62715       170.2359 -19.98219      158.8436 61.78604 26.43153 52.33894 23.77292 9.447102       35.54964 
1 1 1 -2  9  1  o 493.5098 8.958149 7151.358       259.2773 6959.599       353.5191 7374.574       381.4149 486.3958 12.40301 500.6180 13.00195 -14.22226      17.96901 
1 1 1 -2  9  2  o 507.2581 9.166279 7556.104       272.6921 7768.935       398.3565 7368.426       374.0773 513.7870 13.23122 500.4237 12.75637 13.36331       18.37907 
1 1 1 -2  9  3  o 230.5770 5.676329 1559.917       76.75984 1579.439       107.4220 1539.549       109.7242 231.8182 7.912840 228.8499 8.188451 2.968216       11.38700 
1 1 1 -2  9  4  o 600.4254 10.59799 10594.21       373.1927 10717.54       535.3580 10477.63       520.5037 603.0499 15.14902 596.4932 14.87880 6.556641       21.23373 
1 1 1 -2  9  5  o 522.8609 8.500608 8028.843       260.6674 8103.937       413.6552 7979.383       335.7089 524.5301 13.45787 520.9827 10.98725 3.547424       17.37337 
1 1 1 -2  9  6  o 337.2415 6.292366 3337.944       124.4530 3482.031       200.1767 3247.158       158.8946 344.0790 9.930231 332.5263 8.147654 11.55270       12.84499 
1 1 1 -2  9  7  o 177.2566 5.071277 922.6498       52.66520 912.6898       73.47162 933.1760       75.53074 176.1751 7.125604 178.1362 7.244828 -1.961151      10.16178 
1 1 1 -2  9  8  o 139.1290 5.469201 568.8721       44.53947 513.8990       61.55585 629.2777       64.52570 132.0477 7.985877 146.2039 7.550874 -14.15614      10.99045 
1 1 1 -2  9  9  o 715.1636 9.922529 15028.77       416.1772 15306.03       604.3165 14778.65       573.9815 720.9354 14.29281 708.5057 13.81351 12.42963       19.87706 
1 1 1 -2  9  10 o 264.6251 5.177966 2054.464       80.36016 2000.258       113.3728 2109.196       113.9221 260.9377 7.415871 267.9648 7.255703 -7.027130      10.37499 
1 1 1 -2  9  11 o 363.8837 7.354722 3886.049       156.9565 4071.495       231.2859 3727.737       213.6963 372.1470 10.60785 356.1086 10.24272 16.03842       14.74584 
1 1 1 -2  9  12 o 820.5375 11.26161 19775.39       541.9377 19825.43       772.7278 19726.95       760.2556 820.8860 16.05067 818.8815 15.83026 2.004456       22.54376 
1 1 1 -2  9  13 f 461.3316 8.714330 6246.122       235.7750 6271.195       333.4003 6221.038       333.4720 461.9004 12.31842 460.0435 12.37099 1.856842       17.45809 
1 1 1 -2  9  14 o 907.1165 12.34379 24166.32       656.6924 24218.69       932.1912 24114.72       925.2543 907.3969 17.51690 905.4617 17.42371 1.935181       24.70683 
1 1 1 -2  9  15 o 856.1290 11.50744 21521.11       577.7880 21868.14       832.6704 21198.85       802.4011 862.4167 16.46287 849.1643 16.11199 13.25244       23.03524 
1 1 1 -2  9  16 o 285.7582 7.389717 2397.445       123.7407 2411.749       169.0833 2380.950       181.5752 286.4599 10.08007 284.5678 10.89993 1.892090       14.84643 
1 1 1 -2  9  17 o 498.7281 7.535069 7298.126       220.3949 7249.020       307.2953 7350.143       316.2694 496.9031 10.54469 500.3437 10.77800 -3.440613      15.07832 
1 1 1 -2  9  18 o 1003.703 13.53960 29602.46       797.0058 29693.70       1134.052 29513.41       1120.346 1004.190 19.25603 1001.174 19.08059 3.015381       27.10837 
1 1 1 -2  9  19 o 610.3865 8.896165 10935.76       318.4625 10817.54       448.2796 11056.21       452.4980 606.7847 12.59690 613.4438 12.57741 -6.659119      17.80094 
1 1 1 -2  9  20 f 304.3045 6.343221 2716.877       113.2058 2627.094       156.4366 2815.585       164.0274 299.0227 8.930394 309.5659 9.044377 -10.54318      12.71034 
1 1 1 -2  9  21 o 506.6768 7.139264 7533.789       212.1461 7759.535       255.7983 7036.407       379.6927 514.1312 8.483462 489.0326 13.25087 25.09857       15.73387 
1 1 1 -2  9  22 o 270.1017 5.574471 2140.490       88.30423 2243.173       101.0374 1808.380       181.7071 276.4856 6.231022 247.6743 12.55042 28.81136       14.01209 
1 1 1 -2  9  23 o 204.8464 5.758345 1232.298       69.11072 1248.962       76.52137 1158.549       160.9798 206.1962 6.335298 197.8858 13.96055 8.310440       15.33079 
1 1 1 -2  9  24 o 586.1102 7.941298 10088.66       272.9740 10201.82       323.9925 9811.803       506.7777 589.2134 9.375875 576.7077 14.99616 12.50574       17.68592 
1 1 1 -2  9  25 o 296.7737 5.562716 2584.928       96.81949 2610.035       110.5006 2501.952       200.8841 298.1739 6.318947 291.2958 11.78306 6.878052       13.37047 
1 1 1 -2  9  26 o 380.6366 6.028041 4253.601       134.5666 4151.434       151.6527 4631.908       291.8213 375.9704 6.877743 396.2202 12.57419 -20.24988      14.33226 
1 1 1 -2  9  27 o 538.8032 7.557024 8530.998       238.7984 8455.123       276.7863 8751.906       472.2842 536.1999 8.801718 543.9048 14.81955 -7.704956      17.23627 
1 1 1 -2  9  28 o 165.6910 6.638723 807.7920       64.38043 871.4966       70.93694 510.1789       153.3251 172.0749 7.044068 129.1774 20.95584 42.89751       22.10805 
1 1 1 -2  9  29 o 401.7953 6.938037 4744.549       163.4903 4684.392       192.2824 4901.521       310.6049 399.0619 8.215781 407.0454 13.02791 -7.983490      15.40212 
1 1 1 -2  9  30 o 260.4314 5.914232 1992.289       90.33215 1969.690       100.2460 2089.890       208.3302 258.8112 6.609809 265.4613 13.42495 -6.650177      14.96392 
1 1 1 -2  9  31 o 159.9947 10.34988 757.8035       96.59511 697.5012       116.4811 890.5927       172.8501 153.0195 13.10558 172.1350 17.35868 -19.11551      21.75040 
1 1 1 -2  9  32 o 90.80201 14.06647 249.7370       72.48777 244.4335       79.13171 277.4003       180.7277 89.49741 15.64542 95.05109 29.41905 -5.553673      33.32056 
1 1 1 -2  9  33 o 170.0966 9.858129 855.3431       97.92097 750.9379       108.4020 1318.281       228.2641 159.0639 11.70215 209.4003 18.78646 -50.33630      22.13304 
1 1 1 -2  9  34 o 77.35106 16.80486 184.7592       74.04977 189.6632       79.76543 154.1723       199.2075 78.26019 17.78420 80.98501 30.62401 -2.724823      35.41339 
1 1 1 -2  9  35 o 237.0787 6.704699 1653.863       93.12922 1606.515       100.6109 1937.166       246.1054 233.5759 7.353737 254.4555 16.58177 -20.87961      18.13926 
1 1 1 -2  9  36 o 500.0929 8.987353 7373.307       263.5925 7160.735       316.5494 7854.051       476.0431 492.1852 10.96636 513.0108 15.84127 -20.82562      19.26673 
1 1 1 -2  9  37 o 130.3938 10.46718 505.8989       79.37371 374.3269       107.5106 663.5395       117.6802 110.5395 17.13824 148.7756 13.63879 -38.23602      21.90287 
1 1 1 -2  9  38 o 117.5101 11.97061 413.8654       81.34710 503.3610       110.1702 306.5811       120.6234 129.0318 14.82768 98.58797 21.47154 30.44387       26.09382 
1 1 1 -2  9  39 o 207.9339 8.325721 1278.149       101.3255 1314.606       138.5969 1236.291       148.5076 210.1820 11.28503 203.4667 12.50571 6.715271       16.84472 
1 1 1 -2  9  40 o 139.2814 11.41804 580.7664       92.45052 759.0877       131.1239 404.4922       130.3690 158.5204 14.25624 113.3691 20.35586 45.15134       24.85159 
1 1 1 -2  9  41 o 109.8111 13.42614 367.3815       84.67026 393.1376       121.5381 343.0938       118.0229 111.5899 19.26736 103.7652 20.12019 7.824654       27.85773 
1 1 1 -2  9  42 o 137.8097 10.63656 570.6371       85.30212 736.1550       123.4964 419.6159       117.9644 155.4754 13.68332 115.3722 18.02325 40.10316       22.62898 
1 1 1 -2  9  43 o 119.6816 12.33390 436.3321       85.33391 545.0179       122.0787 332.4872       119.3290 132.2935 16.06317 100.8458 20.86469 31.44775       26.33175 
1 1 1 -2  9  44 o 284.8545 7.888456 2412.358       131.6580 2459.144       182.8088 2361.940       189.7714 285.8235 10.92569 279.6537 11.59586 6.169739       15.93219 
1 1 1 -2  9  45 o 34.57588 16.34050 -86.99815      87.22505 -191.2583      126.2562 8.200126       120.6447 37.34803 18.15853 50.46430 21.92210 -13.11627      28.46596 
1 1 1 -2  9  46 o 119.5464 13.97531 445.4831       96.13579 333.4692       137.2113 553.4914       134.7356 97.74512 24.09223 131.0220 18.01031 -33.27686      30.08001 
1 1 1 -2  9  47 o 88.38161 19.62286 262.3102       99.06130 360.6199       147.8852 182.2956       133.4169 100.3250 25.17733 72.94605 25.41650 27.37894       35.77564 
1 1 1 -2  9  48 o 96.64066 19.56796 314.5723       107.0978 396.7943       160.0330 247.8793       144.1306 103.7825 26.27236 82.12347 26.38696 21.65903       37.23585 
1 1 1 -2  9  49 o 72.58517 22.53711 185.1088       105.9673 254.8128       152.6097 120.2109       147.2545 82.37800 27.19982 64.54742 25.77513 17.83057       37.47249 
1 1 1 -2  9  50 o 57.83434 22.47232 96.00993       109.2573 211.4710       157.6288 -10.75330      151.5754 75.66619 27.49125 52.17252 23.50506 23.49367       36.16983 
1 1 1 -2  9  51 f 55.85081 22.03228 85.63280       106.3552 80.24982       139.7556 93.04008       163.9407 58.66456 24.45786 62.21899 26.24924 -3.554432      35.87770 
1 1 1 -2  10 1  o 701.6622 12.18826 14482.10       501.5569 14040.94       678.9489 15012.06       744.1425 689.9310 16.77958 713.1301 17.79249 -23.19910      24.45663 
1 1 1 -2  10 2  o 468.4047 8.623263 6443.898       236.8882 6392.296       331.0269 6498.061       339.1414 466.0107 12.12232 469.8237 12.31885 -3.813049      17.28308 
1 1 1 -2  10 3  o 204.0733 5.608780 1222.969       67.06456 1305.273       95.98095 1144.453       93.74576 210.6987 7.780713 197.2484 8.121151 13.45030       11.24689 
1 1 1 -2  10 4  o 577.3013 10.25659 9795.755       347.2610 9700.308       483.9239 9897.081       498.6076 573.6567 14.39520 579.3884 14.68550 -5.731689      20.56418 
1 1 1 -2  10 5  o 308.2882 6.563791 2789.739       118.6758 2757.473       164.5115 2824.748       171.3640 306.2198 9.170692 309.9104 9.439290 -3.690582      13.16061 
1 1 1 -2  10 6  o 163.6903 5.590154 787.1862       53.58699 795.0115       77.80248 780.1235       73.91387 164.3355 8.097500 162.8116 7.763239 1.523880       11.21773 
1 1 1 -2  10 7  o 425.9758 7.257714 5327.101       181.3157 5295.606       281.9784 5349.302       236.7492 424.2121 11.34416 426.6908 9.460731 -2.478668      14.77144 
1 1 1 -2  10 8  o 360.2629 5.987388 3808.656       126.5049 3701.312       172.9761 3932.092       185.4886 355.0318 8.307461 365.9119 8.643510 -10.88007      11.98850 
1 1 1 -2  10 9  o 481.4905 7.188017 6804.491       202.9772 6923.099       293.4125 6695.635       281.0901 485.4330 10.30621 477.4148 10.03920 8.018158       14.38762 
1 1 1 -2  10 10 o 705.1517 9.834726 14602.35       406.7198 14697.82       578.7649 14509.20       571.6780 706.9276 13.95972 702.3889 13.87789 4.538696       19.68425 
1 1 1 -2  10 11 o 190.6344 6.413009 1067.438       71.59702 1098.656       99.30338 1033.642       103.3232 193.2675 8.783980 187.4044 9.431172 5.863190       12.88819 
1 1 1 -2  10 12 o 425.3420 8.200698 5309.120       204.5689 5357.847       291.0132 5261.521       287.6249 426.9700 11.63241 423.1142 11.60188 3.855865       16.42914 
1 1 1 -2  10 13 o 383.7713 7.800748 4321.493       175.5736 4032.854       228.8695 4734.277       273.6982 370.4895 10.54395 401.3621 11.63976 -30.87259      15.70538 
1 1 1 -2  10 14 o 361.2552 7.639620 3829.117       161.8588 3718.362       220.0156 3959.770       238.9624 355.7432 10.55716 367.0814 11.11264 -11.33823      15.32789 
1 1 1 -2  10 15 o 271.3551 7.451309 2162.050       118.4704 2214.087       165.9931 2108.023       169.1359 274.4402 10.33161 267.7454 10.79330 6.694763       14.94114 
1 1 1 -2  10 16 o 296.5953 6.076388 2580.582       105.6964 2529.634       149.4559 2631.560       149.4987 293.4648 8.693317 299.3332 8.524612 -5.868317      12.17550 
1 1 1 -2  10 17 o 339.5169 6.631979 3381.853       132.0550 3350.504       186.3624 3413.468       187.1482 337.7251 9.418215 340.8891 9.369879 -3.164001      13.28523 
1 1 1 -2  10 18 o 937.2465 12.88033 25809.52       707.9970 26234.69       1025.220 25421.89       978.9030 943.9485 18.51903 929.3223 17.96068 14.62616       25.79807 
1 1 1 -2  10 19 o 206.6277 8.582437 1255.320       103.7775 1298.905       128.8612 1174.882       175.0606 210.0549 10.49340 199.3080 15.08869 10.74699       18.37879 
1 1 1 -2  10 20 o 716.1016 10.24979 15059.50       430.4674 15043.38       609.9017 15075.49       607.6501 715.1847 14.54089 715.9577 14.47157 -0.7730103     20.51497 
1 1 1 -2  10 21 o 744.9741 10.54741 16303.91       460.8264 16596.29       664.9230 16033.66       639.2488 750.9099 15.09847 738.1313 14.76678 12.77856       21.11922 
1 1 1 -2  10 22 o 263.4723 7.950549 2039.906       122.7115 2039.906       122.7115 0.000000       0.000000 263.4723 7.950549 ?        ?        0.000000       7.950549 
1 1 1 -2  10 23 o 440.7329 6.505400 5701.375       168.1512 5719.409       195.3255 5649.750       330.4770 441.3578 7.546015 437.9457 12.88079 3.412109       14.92840 
1 1 1 -2  10 24 f 190.8238 5.835074 1069.725       65.22573 1062.375       71.69018 1105.058       157.1759 190.1289 6.438548 193.1422 13.97022 -3.013306      15.38252 
1 1 1 -2  10 25 f 164.6931 6.332383 797.5071       61.04967 811.0546       67.57763 737.3744       142.3740 166.0428 6.954969 157.2375 15.64660 8.805313       17.12273 
1 1 1 -2  10 26 o 575.3206 7.908741 9727.100       266.8504 9659.361       310.0726 9920.536       523.9849 573.0898 9.225506 579.0489 15.44333 -5.959106      17.98906 
1 1 1 -2  10 27 o 201.1845 6.598968 1190.168       77.75586 1190.168       77.75586 0.000000       0.000000 201.1845 6.598968 ?        ?        0.000000       6.598968 
1 1 1 -2  10 28 o 424.7441 6.491017 5299.871       161.6928 5365.734       188.4231 5115.874       314.9322 427.2424 7.519850 415.9908 12.92439 11.25168       14.95286 
1 1 1 -2  10 29 o 77.99024 15.20371 186.3543       67.04138 198.9006       73.48717 124.1009       163.6946 80.47286 16.13302 73.55913 27.77284 6.913734       32.11861 
1 1 1 -2  10 30 o 188.6075 7.367120 1047.549       81.33381 1048.312       91.20461 1044.586       179.7500 188.5734 8.266897 186.7524 16.58391 1.820984       18.53019 
1 1 1 -2  10 31 o 572.2805 8.041641 9635.064       269.9008 9531.588       311.4527 9947.110       540.8552 568.8775 9.335182 578.5033 15.95657 -9.625793      18.48670 
1 1 1 -2  10 32 o 227.1131 6.873796 1517.476       91.45118 1539.168       101.8243 1426.986       207.9686 228.6493 7.603886 218.5605 16.34299 10.08871       18.02532 
1 1 1 -2  10 33 o 339.8084 6.728651 3393.784       134.0950 3418.441       151.8791 3306.604       285.5824 340.9336 7.595875 333.6855 14.62851 7.248077       16.48304 
1 1 1 -2  10 34 o 389.6076 6.694010 4462.046       152.9552 4490.585       173.6787 4363.411       322.8856 390.7174 7.579374 383.3311 14.38784 7.386230       16.26213 
1 1 1 -2  10 35 o 305.0568 6.496880 2735.909       116.2347 2709.222       128.8221 2852.796       269.6033 303.4711 7.238069 309.4695 14.89822 -5.998474      16.56341 
1 1 1 -2  10 36 o 221.7323 7.345356 1448.774       95.38772 1484.651       103.7852 1253.597       242.0683 224.3789 7.899160 202.7818 20.64186 21.59709       22.10165 
1 1 1 -2  10 37 f 120.1844 11.63436 431.9484       80.98080 401.2323       86.08867 667.9924       238.6490 115.5225 12.92803 143.9275 29.27051 -28.40499      31.99839 
1 1 1 -2  10 38 o 366.5307 7.168697 3956.994       154.0995 3832.785       205.2914 4117.315       233.2318 359.9334 9.734123 372.7305 10.68047 -12.79709      14.45080 
1 1 1 -2  10 39 o 217.0168 9.678793 1396.520       122.8771 1477.220       204.0435 1350.601       153.9162 221.1974 15.83340 212.6578 12.39478 8.539597       20.10789 
1 1 1 -2  10 40 o 198.6635 8.909966 1170.414       103.5471 1457.923       149.0623 902.2979       143.9471 220.9629 11.54268 172.7882 14.33379 48.17476       18.40356 
1 1 1 -2  10 41 o 108.2869 13.66877 358.3314       84.87692 367.0995       123.3525 350.4473       116.9698 107.1753 20.36909 104.9075 19.73566 2.267853       28.36188 
1 1 1 -2  10 42 o 245.1312 7.906818 1783.059       113.5226 1688.382       156.5622 1888.022       164.8484 237.0774 11.29267 250.7587 11.23785 -13.68126      15.93153 
1 1 1 -2  10 43 o 120.3600 12.76648 442.7544       88.74379 327.4696       126.7083 553.7535       124.3308 99.28809 22.30577 133.1849 16.25376 -33.89678      27.59949 
1 1 1 -2  10 44 o 68.31985 20.34161 152.6540       87.55688 147.6752       123.7816 157.6397       123.8667 68.84254 24.44070 70.37091 24.49175 -1.528374      34.60048 
1 1 1 -2  10 45 o 146.9150 11.34076 656.6026       96.95864 591.1910       136.8356 722.5614       137.4067 136.0180 17.56302 151.7635 15.66270 -15.74554      23.53253 
1 1 1 -2  10 46 o 115.2566 14.08911 415.3136       93.25809 399.3142       132.0744 431.2224       131.7001 108.7946 21.46224 113.7988 20.48649 -5.004173      29.67026 
1 1 1 -2  10 47 o 75.98039 21.35327 198.5450       99.07877 204.6655       149.0748 193.7023       132.6040 76.27038 26.84513 74.50617 25.36379 1.764206       36.93214 
1 1 1 -2  10 48 f 51.62348 21.11206 54.25240       101.4662 247.4418       154.5340 -92.15225      134.5271 81.57649 27.38232 43.99947 20.63774 37.57702       34.28860 
1 1 1 -2  10 49 o 49.97021 21.06283 37.88536       105.4051 -123.5891      153.2499 182.8534       145.2059 45.19737 21.44811 72.10837 26.35724 -26.91100      33.98125 
1 1 1 -2  10 50 o 115.3628 16.83487 435.7523       110.5454 286.8380       152.9582 598.5825       159.9454 86.32501 27.11852 131.5423 21.47280 -45.21732      34.59039 
1 1 1 -2  11 1  o 751.8278 13.00232 16639.67       573.3105 16569.47       805.5870 16711.70       816.0820 748.8039 18.34399 751.9597 18.50498 -3.155823      26.05641 
1 1 1 -2  11 2  o 367.2021 7.250163 3958.702       156.1361 3986.377       220.9056 3931.074       220.7143 368.1220 10.24204 365.5505 10.30543 2.571533       14.52933 
1 1 1 -2  11 3  o 378.5412 7.393421 4207.105       164.1380 4169.818       228.3017 4247.000       236.1495 376.4959 10.34929 379.9366 10.60842 -3.440674      14.82047 
1 1 1 -2  11 4  o 263.2578 6.090489 2033.955       94.03380 2011.717       129.4285 2058.817       136.8494 261.5794 8.447840 264.5951 8.831196 -3.015717      12.22113 
1 1 1 -2  11 5  o 291.0127 6.429266 2485.625       109.7296 2481.645       152.8799 2489.854       157.5896 290.5171 8.983598 290.9743 9.246428 -0.4572144     12.89191 
1 1 1 -2  11 6  o 124.6302 6.581687 457.1466       47.93678 504.9070       69.02205 412.6433       66.62704 130.7982 9.053648 118.1166 9.703578 12.68161       13.27132 
1 1 1 -2  11 7  o 359.2294 6.631558 3787.238       139.7134 3899.832       221.4630 3712.801       180.0681 364.1656 10.37994 355.5797 8.634740 8.585938       13.50192 
1 1 1 -2  11 8  o 758.2512 11.62531 16897.19       516.9735 16943.28       825.5588 16867.46       663.0806 757.9764 18.57128 757.0362 14.93479 0.9402466      23.83150 
1 1 1 -2  11 9  o 747.3467 10.46525 16403.92       458.6930 16413.97       647.5303 16393.80       649.8557 746.9921 14.78065 746.5231 14.84305 0.4690552      20.94717 
1 1 1 -2  11 10 o 784.0953 11.84997 18059.91       544.9249 17940.35       866.3217 18138.19       700.9605 780.4415 18.92728 785.3484 15.21881 -4.906921      24.28691 
1 1 1 -2  11 11 o 456.2370 6.969931 6107.078       186.4960 5973.359       258.9466 6251.189       268.8208 451.0976 9.787892 461.4618 9.932912 -10.36417      13.94509 
1 1 1 -2  11 12 o 759.9886 10.48637 16955.82       467.3937 17032.21       668.2778 16882.66       653.9442 761.2590 14.96836 757.9388 14.71147 3.320190       20.98759 
1 1 1 -2  11 13 o 111.2196 9.411037 365.6378       60.81032 290.2195       74.68659 513.9677       104.7415 98.51745 13.26305 131.5520 13.78021 -33.03460      19.12597 
1 1 1 -2  11 14 o 260.9215 7.166883 1998.900       109.5669 1995.253       147.0603 2003.450       164.2654 260.5495 9.640601 261.0120 10.75390 -0.4624634     14.44256 
1 1 1 -2  11 15 o 395.7079 8.362758 4595.016       194.0773 4853.337       282.0665 4362.773       267.4500 406.3576 11.84832 385.2553 11.85114 21.10236       16.75805 
1 1 1 -2  11 16 o 552.3947 10.41784 8958.501       337.5031 8993.407       473.0263 8922.305       481.6947 552.9623 14.59887 550.7327 14.92730 2.229614       20.87944 
1 1 1 -2  11 17 o 705.2847 10.14981 14603.88       419.8293 14692.13       594.9060 14516.33       592.5574 706.9913 14.34775 702.7453 14.37745 4.246033       20.31180 
1 1 1 -2  11 18 o 123.4277 10.07807 450.2672       72.31808 290.8838       108.3829 578.1737       97.09248 97.64294 19.60816 139.7840 11.95819 -42.14105      22.96689 
1 1 1 -2  11 19 o 191.1529 7.063568 1073.665       79.05112 963.5420       112.7778 1180.032       110.8378 180.8153 10.68261 200.2578 9.464081 -19.44247      14.27189 
1 1 1 -2  11 20 o 98.86828 10.59537 290.4103       60.47903 238.3818       91.09602 331.4175       80.87402 88.33529 18.19003 105.3259 13.39514 -16.99059      22.58998 
1 1 1 -2  11 21 o 425.9659 7.029334 5325.458       175.6060 5504.094       254.2714 5162.559       242.8136 432.8526 10.01629 419.2186 9.876019 13.63403       14.06634 
1 1 1 -2  11 22 o 424.0163 6.385034 5276.607       158.7802 5195.086       180.5441 5554.903       333.5827 420.6721 7.317943 434.2655 13.11280 -13.59335      15.01658 
1 1 1 -2  11 23 o 197.1024 5.927096 1141.202       68.43697 1171.341       75.47002 1001.733       162.3499 199.6586 6.453672 183.6996 15.20539 15.95901       16.51829 
1 1 1 -2  11 24 o 270.1509 5.451672 2141.882       86.37472 2114.553       96.68016 2249.963       192.2649 268.3918 6.142111 276.1973 11.89734 -7.805542      13.38925 
1 1 1 -2  11 25 o 426.4713 6.478765 5340.623       162.0439 5402.496       190.3798 5177.931       308.7110 428.8280 7.569849 418.9505 12.57856 9.877563       14.68070 
1 1 1 -2  11 26 o 142.9455 7.166676 601.8178       59.88958 622.0405       64.89477 485.6831       155.5145 145.2905 7.642793 125.8764 21.85825 19.41402       23.15589 
1 1 1 -2  11 27 o 129.7509 8.551908 497.2780       64.71362 508.4782       70.95632 441.8974       157.7825 131.1262 9.286887 119.4919 23.35242 11.63433       25.13129 
1 1 1 -2  11 28 o 248.9567 8.354203 1825.279       121.8046 1725.614       150.2424 2016.411       208.0591 241.7337 10.62347 260.7761 13.65160 -19.04243      17.29810 
1 1 1 -2  11 29 o 307.2906 5.887931 2773.645       106.1115 2777.075       119.2782 2760.631       232.3373 307.4127 6.615896 305.3038 13.00566 2.108856       14.59168 
1 1 1 -2  11 30 o 138.9709 8.092278 570.1038       65.66930 582.2898       70.53918 490.8786       179.8588 140.3928 8.608515 125.2827 25.35022 15.11005       26.77200 
1 1 1 -2  11 31 o 185.7573 7.072803 1015.847       76.91196 987.9048       84.08146 1159.048       190.3468 183.0968 7.848356 196.7695 16.65058 -13.67278      18.40757 
1 1 1 -2  11 32 o 292.0070 6.545898 2505.725       112.1019 2576.228       127.1527 2259.683       237.5353 296.0070 7.324419 275.7258 14.74287 20.28122       16.46206 
1 1 1 -2  11 33 o 202.5446 7.745685 1208.464       91.83958 1271.954       101.5938 924.6454       214.8000 207.7289 8.356169 174.2952 21.46650 33.43370       23.03554 
1 1 1 -2  11 34 o 58.25517 20.84492 87.87474       90.20987 163.0209       99.79245 -247.9972      210.9750 73.02431 21.71011 52.74443 25.06863 20.27988       33.16271 
1 1 1 -2  11 35 o 214.7714 7.393713 1358.925       92.99112 1360.456       100.3951 1349.676       246.7220 214.8100 7.982957 210.9230 20.19118 3.886963       21.71201 
1 1 1 -2  11 36 o 197.3397 7.992225 1149.205       92.30670 1131.866       99.79018 1251.971       242.9457 195.7260 8.715239 202.4700 20.75301 -6.744034      22.50873 
1 1 1 -2  11 37 o 294.5860 6.637065 2553.909       114.6671 2461.086       124.2245 3088.458       298.1085 288.9765 7.335768 320.8712 15.89082 -31.89474      17.50233 
1 1 1 -2  11 38 o 65.30292 19.43515 131.3277       79.94064 147.3158       84.24870 -13.11765      253.2311 68.82990 19.80689 71.98935 31.50751 -3.159454      37.21608 
1 1 1 -2  11 39 o 168.6956 9.737476 845.4569       95.92932 966.4179       139.4423 736.7705       132.1781 179.4149 13.34775 156.1504 14.60267 23.26447       19.78384 
1 1 1 -2  11 40 o 110.6103 13.72754 372.5056       87.14079 536.9337       126.1319 222.3581       120.5303 132.0846 16.65185 82.95990 23.63316 49.12471       28.91039 
1 1 1 -2  11 41 o 161.2309 9.888246 776.7041       93.05162 697.3492       127.8125 866.2006       135.7342 151.0772 14.60726 168.8480 13.82804 -17.77078      20.11434 
1 1 1 -2  11 42 o 74.30914 19.02659 178.8300       83.26810 284.7498       122.0584 86.62258       113.8839 92.63522 22.65734 59.61242 23.00291 33.02280       32.28759 
1 1 1 -2  11 43 o 121.8615 12.72580 453.9955       89.61091 438.8682       125.3109 469.8275       128.1963 117.0371 18.90016 121.3196 18.61057 -4.282509      26.52488 
1 1 1 -2  11 44 o 280.1386 7.925805 2335.774       130.0859 2290.985       174.6156 2391.634       195.0074 275.6861 10.82087 280.9187 11.86311 -5.232635      16.05692 
1 1 1 -2  11 45 o 115.4398 13.99640 415.1706       92.82623 355.0722       130.2580 477.1853       132.3185 102.2089 22.35411 120.8924 19.31208 -18.68349      29.54086 
1 1 1 -2  11 46 o 179.4143 10.58261 976.0714       110.8581 1102.367       154.7112 842.7977       158.9279 188.3520 14.10809 162.5781 16.91519 25.77388       22.02638 
1 1 1 -2  11 47 o 87.83427 20.35902 262.6071       102.8249 205.1955       150.4969 312.8716       140.8180 76.17921 26.95869 92.96983 25.20084 -16.79062      36.90330 
1 1 1 -2  11 48 o 117.3402 15.93247 442.6754       106.8130 387.6006       158.5243 488.4704       144.5535 102.2468 26.29044 119.3895 21.43243 -17.14275      33.91956 
1 1 1 -2  11 49 o 54.19000 21.93989 69.15968       108.2786 -15.00601      164.3420 133.7225       143.9370 53.75257 24.32159 65.59905 25.70555 -11.84649      35.38807 
1 1 1 -2  11 50 o 44.26700 19.98613 -23.65641      110.2663 32.27877       159.3826 -75.00719      152.7115 56.57430 24.87135 47.77448 22.27059 8.799828       33.38507 
1 1 1 -2  12 1  o 445.7640 8.338942 5835.373       218.0050 5790.993       304.1904 5882.239       312.5925 443.5972 11.70269 447.0490 11.93332 -3.451874      16.71398 
1 1 1 -2  12 2  o 199.5991 5.878708 1170.105       68.74128 1291.575       97.95858 1052.256       96.48781 209.5795 7.984324 189.0812 8.724607 20.49834       11.82659 
1 1 1 -2  12 3  o 332.1433 6.857502 3238.042       133.5802 3388.556       194.9884 3104.934       183.3683 339.4669 9.804287 324.9536 9.632348 14.51340       13.74431 
1 1 1 -2  12 4  o 410.0433 7.851168 4936.237       188.8055 4982.041       267.5594 4890.807       266.4664 411.5494 11.09543 407.7544 11.15325 3.794983       15.73225 
1 1 1 -2  12 5  o 708.9044 12.32997 14777.20       512.6255 14838.89       727.9026 14716.49       722.0565 709.3944 17.49585 706.4778 17.42698 2.916565       24.69422 
1 1 1 -2  12 6  o 754.2866 11.74566 16721.65       519.5941 17297.71       856.1262 16385.73       653.7680 765.7520 19.06335 746.1495 14.93989 19.60248       24.22006 
1 1 1 -2  12 7  o 263.0186 5.818607 2029.604       89.75444 2009.611       133.3384 2046.168       121.3682 261.4942 8.706599 263.9189 7.849951 -2.424744      11.72291 
1 1 1 -2  12 8  o 135.8313 6.949251 542.7859       55.17500 644.9420       80.68662 453.0609       75.61823 147.9239 9.348454 123.7650 10.51737 24.15894       14.07156 
1 1 1 -2  12 9  o 611.9600 9.683390 10993.73       347.5369 11310.85       570.1680 10806.26       438.3887 619.9716 15.69386 606.5128 12.32449 13.45886       19.95470 
1 1 1 -2  12 10 o 477.6013 7.268180 6692.609       203.5831 6569.434       281.8352 6827.007       294.3952 473.0592 10.15849 482.2306 10.40939 -9.171417      14.54477 
1 1 1 -2  12 11 o 1103.799 18.67980 35852.04       1209.241 35204.24       1664.746 36575.62       1759.429 1092.005 25.99398 1112.789 26.95928 -20.78381      37.44983 
1 1 1 -2  12 12 o 656.8525 10.10918 12664.67       389.4345 12996.14       512.5786 12212.11       598.9376 665.1619 13.13961 644.5370 15.84467 20.62488       20.58405 
1 1 1 -2  12 13 o 52.23785 18.21729 71.29380       68.54874 13.83296       89.57538 152.5025       106.4888 47.14769 19.61244 72.29517 22.61519 -25.14747      29.93484 
1 1 1 -2  12 14 o 159.5950 10.16439 750.7203       94.64294 713.5219       123.5356 803.5770       147.2586 155.2362 13.70979 164.6197 15.43270 -9.383514      20.64283 
1 1 1 -2  12 15 o 366.2077 8.841164 3935.914       189.8836 3979.503       261.6972 3887.451       275.9403 367.8915 12.14576 363.5384 12.96314 4.353058       17.76408 
1 1 1 -2  12 16 o 346.3800 9.357005 3524.346       189.9075 3861.901       273.3974 3209.624       263.9893 362.3295 12.88642 330.2045 13.66129 32.12497       18.78006 
1 1 1 -2  12 17 o 162.7398 13.57617 783.7566       128.3957 794.9907       170.1165 768.8861       195.7221 163.3430 18.05928 160.0855 21.38082 3.257477       27.98709 
1 1 1 -2  12 18 o 453.3563 8.210822 6032.406       218.3116 6218.115       283.8829 5763.625       341.5255 460.1490 10.51938 442.6338 13.17078 17.51523       16.85606 
1 1 1 -2  12 19 o 408.9044 6.905546 4906.483       165.6038 4942.680       232.6160 4869.283       235.8151 410.2711 9.667586 407.2013 9.874428 3.069763       13.81907 
1 1 1 -2  12 20 o 167.4807 7.406597 824.9064       72.57022 729.1187       102.4146 921.5035       102.8464 157.1205 11.18739 176.8421 9.956583 -19.72162      14.97636 
1 1 1 -2  12 21 o 172.9842 7.133756 879.8484       72.21748 873.5570       103.6905 885.7750       100.6397 172.1086 10.32014 173.3474 9.940913 -1.238770      14.32924 
1 1 1 -2  12 22 o 161.9076 7.247123 771.1533       68.64061 671.0703       97.16988 870.8361       96.97537 150.6636 11.07435 171.8764 9.659300 -21.21288      14.69501 
1 1 1 -2  12 23 o 435.3401 6.483083 5563.647       165.5239 5560.485       191.6005 5572.953       328.6413 435.1340 7.507980 434.8021 12.90211 0.3319092      14.92763 
1 1 1 -2  12 24 o 280.7252 5.542030 2313.080       91.24326 2350.844       102.9864 2175.238       196.7572 282.9738 6.205591 271.4452 12.39210 11.52866       13.85906 
1 1 1 -2  12 25 o 76.97750 11.59753 178.4273       50.73345 205.8913       54.42664 -3.584877      140.1133 82.81999 11.51650 55.89536 23.94691 26.92463       26.57224 
1 1 1 -2  12 26 o 60.73299 14.89882 113.4095       52.65963 130.6372       56.68925 4.990289       142.2129 65.16971 15.12448 57.08483 24.28114 8.084877       28.60636 
1 1 1 -2  12 27 o 127.4510 12.49565 484.0320       92.20212 581.3265       116.2907 319.3416       151.2986 139.4516 14.42717 101.0233 25.52970 38.42826       29.32421 
1 1 1 -2  12 28 o 428.6859 6.546695 5399.834       164.5932 5423.336       190.6154 5330.953       326.3294 429.4714 7.567861 424.4479 13.12513 5.023499       15.15063 
1 1 1 -2  12 29 o 181.9595 6.694336 974.3768       71.31680 973.8505       76.99113 977.5574       189.2749 181.8559 7.233193 180.2366 18.15306 1.619232       19.54106 
1 1 1 -2  12 30 o 354.7390 6.831720 3698.829       142.1312 3823.119       169.5156 3404.624       260.8054 360.4894 8.018011 339.0128 13.14236 21.47662       15.39513 
1 1 1 -2  12 31 o 168.9777 8.090352 841.9426       79.94364 891.1175       86.88548 570.5710       204.1069 173.7985 8.550388 134.9361 26.73718 38.86241       28.07109 
1 1 1 -2  12 32 o 258.2595 8.351574 1964.726       126.3292 1919.651       146.9763 2092.204       247.1710 255.0513 9.844313 264.9525 15.98095 -9.901108      18.76969 
1 1 1 -2  12 33 o 74.10162 18.06827 170.2452       77.80398 179.7331       83.67549 109.6684       211.4300 76.09313 18.84863 77.79403 30.94438 -1.700897      36.23293 
1 1 1 -2  12 34 o 106.0003 13.03600 337.6720       79.33569 346.6730       85.15775 278.5151       218.3131 107.2584 13.86143 96.57880 32.54685 10.67960       35.37565 
1 1 1 -2  12 35 o 110.4911 12.78850 366.6201       81.34185 324.5002       87.25721 646.0541       224.7487 103.4307 14.80659 142.5759 27.87759 -39.14529      31.56573 
1 1 1 -2  12 36 o 39.20053 17.42467 -27.06464      80.33732 -29.23146      85.55292 -10.90125      233.6628 40.37656 17.96238 69.89898 30.43497 -29.52242      35.34027 
1 1 1 -2  12 37 o 174.7985 8.997078 904.4247       91.92336 931.6968       98.77408 728.0284       251.2050 177.3205 9.533076 149.9605 29.61402 27.36000       31.11061 
1 1 1 -2  12 38 o 187.5970 8.883817 1041.942       97.46314 1050.195       103.8819 981.2815       281.6338 188.2244 9.440655 174.6270 28.48005 13.59740       30.00399 
1 1 1 -2  12 39 f 333.8496 6.937832 3285.686       135.8392 3267.298       149.5286 3372.539       324.9789 332.7206 7.662917 333.6763 16.65924 -0.9556885     18.33713 
1 1 1 -2  12 40 o 95.82790 15.37447 284.2439       83.48470 381.4704       125.1932 206.3869       112.0307 109.5362 20.23340 79.91018 22.79130 29.62603       30.47677 
1 1 1 -2  12 41 o 281.6538 7.676211 2350.699       126.6800 2478.078       175.0062 2210.490       183.6082 287.9570 10.37974 271.3278 11.56497 16.62915       15.53987 
1 1 1 -2  12 42 o 139.2794 11.31119 586.1124       91.59984 547.9749       131.7708 621.7741       127.4221 132.0214 17.44514 141.6640 15.59444 -9.642609      23.39913 
1 1 1 -2  12 43 o 124.9435 12.80426 477.7540       92.49923 297.9245       130.8806 657.2163       130.7469 93.71925 23.77795 145.3813 15.57716 -51.66210      28.42602 
1 1 1 -2  12 44 o 118.5179 13.70592 435.0589       93.51349 490.3424       129.8032 375.4050       134.8365 123.3802 18.50898 105.4673 22.48633 17.91285       29.12417 
1 1 1 -2  12 45 o 199.8597 9.505297 1201.224       111.0951 1259.408       157.0829 1142.995       157.1416 202.2672 13.31605 192.1481 14.04149 10.11916       19.35150 
1 1 1 -2  12 46 o 40.49312 18.51801 -45.55334      98.49308 -65.20202      144.0867 -28.31936      134.9429 47.93987 22.09725 49.13882 22.15460 -1.198948      31.29081 
1 1 1 -2  12 47 o 164.8260 12.21351 837.2505       117.2250 837.3728       169.5685 837.1386       162.2367 160.1046 18.39253 160.8630 17.47716 -0.7584381     25.37196 
1 1 1 -2  12 48 o 62.51890 22.83635 125.0859       108.9749 182.1374       165.8052 81.69946       144.5912 72.88751 27.84966 60.10217 24.95240 12.78535       37.39286 
1 1 1 -2  12 49 f 68.55087 23.41451 164.3571       113.0213 211.1363       171.4392 128.3982       150.3094 75.77068 28.46239 65.24624 26.04548 10.52444       38.58075 
1 1 1 -2  12 50 o 97.44022 21.41087 333.3926       119.0079 316.7225       173.2669 348.2802       163.7419 88.98870 28.95978 94.34187 27.74854 -5.353172      40.10798 
1 1 1 -2  13 1  o 326.8316 6.860223 3134.839       131.4961 3216.333       186.4122 3054.125       185.5181 330.7860 9.619185 322.3125 9.825755 8.473450       13.75043 
1 1 1 -2  13 2  o 290.6898 6.451747 2479.589       109.9911 2562.231       156.7945 2399.518       154.3365 295.2567 9.065578 285.7070 9.222883 9.549683       12.93237 
1 1 1 -2  13 3  o 802.3687 13.81385 18935.91       650.0387 19592.32       961.1934 18382.66       882.4351 814.7756 20.11510 789.4808 19.05859 25.29486       27.71005 
1 1 1 -2  13 4  o 260.7881 5.506301 1995.238       84.21671 2100.717       108.2416 1833.443       134.0582 267.4687 6.906122 249.7221 9.169039 17.74658       11.47893 
1 1 1 -2  13 5  o 232.4594 6.204091 1586.564       84.50594 1557.279       113.4032 1623.132       126.7218 230.1804 8.414690 234.9503 9.214414 -4.769852      12.47848 
1 1 1 -2  13 6  o 295.5221 6.689419 2562.424       115.9388 2537.049       159.3245 2590.985       169.0301 293.8324 9.257092 296.9108 9.720155 -3.078430      13.42293 
1 1 1 -2  13 7  o 684.3396 10.67563 13751.50       428.4652 14062.83       698.4594 13563.66       542.5404 691.2950 17.22770 679.3624 13.61696 11.93262       21.95939 
1 1 1 -2  13 8  o 631.4218 9.932954 11703.79       367.8311 11652.79       578.6368 11738.37       476.4974 629.5414 15.67225 632.1250 12.85307 -2.583618      20.26871 
1 1 1 -2  13 9  o 758.3898 11.72220 16889.57       521.3772 17202.04       846.0432 16698.24       662.0261 764.5158 18.86929 753.7460 14.97613 10.76978       24.09013 
1 1 1 -2  13 10 o 307.6901 6.340874 2777.288       114.4230 2760.852       174.6742 2789.642       151.4388 306.5417 9.728342 308.2139 8.385676 -1.672211      12.84368 
1 1 1 -2  13 11 o 243.0995 6.880475 1735.159       97.99771 1636.255       128.7537 1871.355       151.0901 235.9342 9.323396 252.2826 10.23294 -16.34846      13.84336 
1 1 1 -2  13 12 o 544.4884 8.773548 8700.331       280.1653 8796.259       361.2652 8555.585       443.7677 547.3445 11.25420 539.4314 14.03907 7.913147       17.99312 
1 1 1 -2  13 13 o 157.9264 9.720722 734.8469       89.59715 768.2592       111.4001 673.6417       150.7742 161.3093 11.85828 150.3320 17.42340 10.97729       21.07590 
1 1 1 -2  13 14 o 588.6077 10.87264 10172.64       375.3286 10201.42       526.9291 10143.00       534.7468 588.8736 15.27025 587.1502 15.54285 1.723389       21.78900 
1 1 1 -2  13 15 o 700.9946 12.63510 14435.95       519.4501 14421.02       729.1576 14451.34       740.1936 699.7813 17.78118 700.4744 18.03283 -0.6931763     25.32495 
1 1 1 -2  13 16 o 509.4238 7.993404 7615.866       238.8150 7537.377       334.9794 7696.991       340.5605 506.5957 11.27473 511.9267 11.34321 -5.330994      15.99337 
1 1 1 -2  13 17 o 77.99685 22.90068 182.5981       111.6093 221.7186       143.7473 123.2183       177.0996 86.31000 26.14777 76.18231 28.85957 10.12769       38.94329 
1 1 1 -2  13 18 o 592.2634 8.780822 10297.56       305.0005 10434.48       437.9791 10168.65       424.9861 595.8436 12.53345 588.2274 12.31910 7.616211       17.57406 
1 1 1 -2  13 19 o 193.9363 7.312586 1105.452       83.02370 1040.124       123.5246 1159.281       112.1276 187.8020 11.26689 198.4430 9.663489 -10.64096      14.84338 
1 1 1 -2  13 20 o 308.5558 10.35934 2800.706       187.1974 2696.591       293.2866 2872.280       243.1740 301.9977 16.62327 312.1588 13.31342 -10.16107      21.29742 
1 1 1 -2  13 21 o 162.1533 7.542630 773.6585       71.53321 742.9583       108.7665 797.0593       94.95975 158.4988 11.78522 164.3952 9.894979 -5.896362      15.38837 
1 1 1 -2  13 22 o 270.3136 6.145058 2144.713       97.41915 2179.245       136.9579 2109.348       138.5997 272.2231 8.589256 267.7950 8.836993 4.428162       12.32346 
1 1 1 -2  13 23 f 178.8065 6.587908 939.9859       68.96649 881.6227       98.17232 996.8540       96.90668 172.8845 9.721549 183.9404 9.010513 -11.05591      13.25511 
1 1 1 -2  13 24 o 250.0931 5.601703 1836.024       82.16224 1861.396       92.30662 1739.249       180.2741 251.7829 6.251094 242.5591 12.71701 9.223846       14.17034 
1 1 1 -2  13 25 o 473.1751 9.281758 6586.605       257.5744 6648.398       361.5230 6522.902       367.0707 474.4817 13.00396 469.8943 13.33332 4.587402       18.62473 
1 1 1 -2  13 26 o 282.5863 6.225089 2345.401       103.1685 2473.779       121.5007 2013.638       195.3203 290.1440 7.140269 260.8585 12.80623 29.28555       14.66230 
1 1 1 -2  13 27 o 192.2359 6.310843 1086.794       71.05316 1128.115       77.82343 879.8249       174.1717 195.8165 6.786839 171.1411 17.60368 24.67538       18.86666 
1 1 1 -2  13 28 o 180.6444 7.292790 960.9377       77.10367 1005.205       85.95011 778.4914       174.4905 184.6929 7.953619 160.4973 18.89950 24.19562       20.50490 
1 1 1 -2  13 29 o 261.9710 6.031705 2016.158       92.67101 2070.538       103.9552 1805.675       204.5190 265.3413 6.685550 246.4971 14.20741 18.84413       15.70182 
1 1 1 -2  13 30 o 330.7356 6.248014 3213.935       121.1919 3238.033       136.2636 3122.719       265.1071 331.8900 7.000597 324.4456 13.96520 7.444397       15.62162 
1 1 1 -2  13 31 o 331.9440 6.586790 3238.097       128.2299 3390.757       147.1351 2755.915       261.4929 339.5839 7.387861 304.5883 14.68172 34.99564       16.43574 
1 1 1 -2  13 32 o 174.6653 8.779579 900.3975       89.64705 916.7264       96.46489 796.9758       242.7699 176.1678 9.370381 159.9944 26.82089 16.17336       28.41064 
1 1 1 -2  13 33 o 114.5798 11.80588 391.9910       78.19930 430.3802       83.44446 115.1073       224.1000 120.0791 12.00992 79.75881 31.81450 40.32031       34.00589 
1 1 1 -2  13 34 o 331.9682 6.604481 3240.401       128.5836 3152.969       140.4850 3691.825       319.2168 327.3575 7.317407 351.8547 15.50743 -24.49722      17.14716 
1 1 1 -2  13 35 o 223.5392 9.284959 1476.958       121.4612 1565.511       139.2150 1194.673       248.5576 229.9372 10.35002 197.3849 21.83623 32.55231       24.16493 
1 1 1 -2  13 36 o 124.1336 11.56829 460.5269       83.24928 467.9202       88.15452 399.5850       253.0956 125.0086 12.17836 110.9369 34.88829 14.07172       36.95274 
1 1 1 -2  13 37 o 280.9644 7.136847 2326.646       117.5050 2303.777       127.6849 2453.156       300.3127 279.4417 7.798709 284.6679 18.08152 -5.226166      19.69166 
1 1 1 -2  13 38 o 242.9367 7.827766 1743.058       111.3818 1695.668       120.2410 2029.570       295.6503 239.4367 8.576567 257.4311 19.73287 -17.99445      21.51613 
1 1 1 -2  13 39 o 52.30986 20.05519 60.74858       86.17699 74.76023       91.49981 -49.27872      256.4045 55.47321 20.80277 69.01413 30.87264 -13.54092      37.22734 
1 1 1 -2  13 40 o 273.0367 6.934699 2202.992       110.9552 2180.428       120.0556 2335.131       290.5242 271.4411 7.548806 275.0931 18.10814 -3.652008      19.61859 
1 1 1 -2  13 41 o 63.73899 19.76892 128.2673       81.55942 116.5298       127.6505 136.3644       106.0222 65.49554 24.56894 66.64058 22.67966 -1.145035      33.43650 
1 1 1 -2  13 42 o 38.39789 17.33292 -34.06813      82.88663 75.83687       124.8966 -120.5697      110.8036 59.41204 23.73339 38.25591 18.17813 21.15613       29.89512 
1 1 1 -2  13 43 o 41.51492 18.27842 -11.97257      86.38357 23.34963       122.1276 -47.33787      122.2021 52.59451 22.44037 45.96317 20.86693 6.631332       30.64309 
1 1 1 -2  13 44 o 115.5905 15.03549 419.3085       99.51403 372.3092       143.8245 462.4745       137.8347 103.7940 24.09207 118.3075 20.61416 -14.51353      31.70759 
1 1 1 -2  13 45 o 220.9602 9.049697 1465.363       117.0250 1446.032       162.5587 1486.158       168.6033 217.0025 12.83033 219.7601 13.14181 -2.757599      18.36640 
1 1 1 -2  13 46 o 48.92632 20.57635 32.23535       100.2325 -26.35090      145.5001 85.14835       138.2760 50.92760 22.97902 60.45755 24.67588 -9.529949      33.71846 
1 1 1 -2  13 47 f 39.95686 18.60231 -69.08279      106.0026 59.38707       155.6751 -180.1412      144.7419 59.29741 25.31899 40.93550 19.79338 18.36190       32.13766 
1 1 1 -2  13 48 o 60.37357 23.18486 108.2389       115.3011 107.5774       175.8960 108.7373       152.6786 65.42847 27.37002 63.61878 25.94312 1.809696       37.71158 
1 1 1 -2  13 49 o 177.4305 12.76880 980.8572       131.9820 1163.960       196.1778 829.4548       178.3891 188.1018 18.00247 156.8322 19.83775 31.26961       26.78853 
1 1 1 -2  13 50 o 48.17713 21.28917 5.231262       118.1983 136.6611       178.5387 -97.31908      157.7081 67.39767 27.83066 47.00573 22.14065 20.39194       35.56338 
1 1 1 -2  14 1  o 391.2173 7.690189 4491.488       176.4435 4481.578       244.9382 4502.178       254.3875 390.4988 10.70524 391.3636 11.09438 -0.8648071     15.41711 
1 1 1 -2  14 2  o 687.4595 12.00615 13883.90       484.0623 14402.06       715.9044 13447.48       657.0155 699.4571 17.45193 676.0079 16.57194 23.44916       24.06655 
1 1 1 -2  14 3  o 169.4506 6.568294 843.7003       65.15127 945.7437       88.68045 724.0323       96.03386 179.3099 8.456653 156.6761 10.51215 22.63383       13.49149 
1 1 1 -2  14 4  o 819.8400 11.52607 19740.61       554.1929 19915.95       687.3705 19414.90       936.8110 823.1334 14.23869 811.8305 19.67597 11.30292       24.28753 
1 1 1 -2  14 5  o 992.1349 13.78476 28926.04       802.0849 29314.26       1001.159 28230.29       1340.260 998.1970 17.10157 978.1801 23.36252 20.01697       28.95292 
1 1 1 -2  14 6  o 975.2418 16.59966 27971.62       949.4279 28656.06       1386.979 27368.11       1302.397 985.5313 23.99656 963.3559 23.05186 22.17535       33.27496 
1 1 1 -2  14 7  o 404.6519 7.377192 4804.253       175.0746 5024.819       279.7696 4662.284       224.4551 413.5090 11.54757 398.5510 9.602735 14.95795       15.01862 
1 1 1 -2  14 8  o 833.8444 12.74390 20421.66       623.2149 20905.84       1021.203 20134.31       786.6991 842.5657 20.66607 827.5453 16.20938 15.02032       26.26463 
1 1 1 -2  14 9  o 611.9837 9.699720 10992.68       348.1365 11007.44       552.0004 10982.93       448.6055 611.7709 15.39733 611.5243 12.50836 0.2465820      19.83776 
1 1 1 -2  14 10 o 577.5384 9.316781 9789.471       315.5711 9942.984       507.5904 9692.752       402.8986 581.4671 14.89689 574.5170 11.95755 6.950134       19.10237 
1 1 1 -2  14 11 o 971.5869 14.72981 27742.78       839.3234 28299.32       1372.342 27410.20       1060.867 979.5112 23.88924 965.0820 18.74330 14.42920       30.36457 
1 1 1 -2  14 12 o 715.2696 12.62143 15027.77       529.4547 14529.52       711.0274 15647.87       793.2217 702.7970 17.25067 728.9272 18.57008 -26.13019      25.34627 
1 1 1 -2  14 13 f 820.5270 11.39063 19770.98       548.1394 19821.28       780.6691 19722.08       769.8172 820.9673 16.21402 818.9374 16.02826 2.029968       22.79911 
1 1 1 -2  14 14 o 735.6010 13.06017 15898.73       563.4321 15980.10       796.4200 15817.20       797.2070 736.5298 18.45200 732.7430 18.56602 3.786804       26.17582 
1 1 1 -2  14 15 o 1041.892 17.84950 31957.13       1090.684 32279.78       1560.103 31648.67       1525.404 1045.027 25.45512 1034.864 25.13338 10.16321       35.77219 
1 1 1 -2  14 16 o 580.0905 9.421056 9879.204       320.5131 9702.753       502.5932 10000.15       416.1052 574.1842 14.93770 583.4024 12.16142 -9.218201      19.26228 
1 1 1 -2  14 17 o 241.5535 8.171421 1714.583       115.5941 1806.834       144.5068 1550.671       192.6234 247.8511 9.961680 229.1692 14.40472 18.68198       17.51373 
1 1 1 -2  14 18 o 379.9243 6.884317 4235.955       153.3940 4178.057       219.4998 4291.221       214.4521 377.0306 9.935407 382.1369 9.576416 -5.106293      13.79928 
1 1 1 -2  14 19 o 541.1297 10.09322 8603.112       320.3181 8198.228       620.7496 8750.048       373.9511 526.3652 20.14565 545.5532 11.68765 -19.18805      23.29052 
1 1 1 -2  14 20 o 203.1467 6.785223 1212.691       80.72620 1283.194       125.6610 1163.150       105.3373 208.6987 10.29850 198.7828 9.059326 9.915878       13.71607 
1 1 1 -2  14 21 o 382.2202 6.648126 4288.594       149.0264 4160.004       207.1557 4426.527       214.5492 376.2453 9.388047 388.1074 9.425934 -11.86215      13.30352 
1 1 1 -2  14 22 o 160.0014 7.249496 753.3446       67.85040 716.4290       103.1582 781.4912       90.07658 155.6127 11.38210 162.7711 9.476906 -7.158340      14.81094 
1 1 1 -2  14 23 o 252.9908 6.144223 1879.127       91.16374 2043.717       132.8697 1732.729       125.3120 263.5447 8.608041 242.6211 8.821388 20.92355       12.32539 
1 1 1 -2  14 24 o 97.39915 13.80757 285.5547       76.66384 345.5624       92.43327 153.2922       137.2280 107.0819 15.14030 74.72964 25.79093 32.35223       29.90654 
1 1 1 -2  14 25 o 116.6477 8.310190 402.1113       56.47859 424.7074       60.63592 254.0722       155.2034 119.8550 8.685195 91.04730 27.07629 28.80769       28.43515 
1 1 1 -2  14 26 o 140.1493 7.468938 579.0171       61.16867 562.3908       66.37804 672.6436       157.5166 138.0371 8.236781 149.2734 18.38023 -11.23630      20.14144 
1 1 1 -2  14 27 o 223.6098 6.434317 1470.349       84.29308 1481.931       93.96214 1422.603       190.7795 224.4161 7.148299 218.5909 14.97198 5.825195       16.59092 
1 1 1 -2  14 28 o 84.28857 13.63508 215.4833       65.10231 237.4046       70.25398 82.24379       173.2025 88.49427 14.00185 70.01041 27.95486 18.48386       31.26541 
1 1 1 -2  14 29 o 41.33453 16.65231 23.30488       62.03390 45.93410       66.19978 -139.7069      177.6770 46.44529 17.63295 52.55169 24.33425 -6.106396      30.05123 
1 1 1 -2  14 30 o 194.4677 8.175683 1114.617       93.03622 1080.150       102.8783 1269.337       217.9713 191.3020 9.196605 205.5746 18.26929 -14.27261      20.45347 
1 1 1 -2  14 31 o 346.7277 8.157310 3537.127       165.8769 3314.540       189.7208 4259.460       341.7692 335.2789 9.658531 378.5597 15.42619 -43.28079      18.20040 
1 1 1 -2  14 32 o 54.00580 19.39386 74.32578       78.16339 49.43747       83.94627 236.5251       214.3029 50.71824 19.70062 91.65848 32.19280 -40.94024      37.74243 
1 1 1 -2  14 33 o 281.4964 6.848966 2330.115       113.0702 2321.599       124.3301 2370.845       271.9056 280.7961 7.556653 281.5979 16.53690 -0.8017883     18.18164 
1 1 1 -2  14 34 o 59.16636 19.47300 101.2885       78.24162 120.9923       83.49508 -40.67342      224.1155 63.64993 20.04156 66.70321 29.40210 -3.053276      35.58297 
1 1 1 -2  14 35 o 142.3750 10.54103 602.6334       87.39286 597.7700       93.73218 634.9826       241.7432 141.6368 11.37967 139.9881 30.32373 1.648666       32.38866 
1 1 1 -2  14 36 o 40.62913 17.80032 -15.91758      81.00838 -40.79195      85.65302 194.9573       249.3900 39.14260 17.64892 88.67506 34.08641 -49.53246      38.38448 
1 1 1 -2  14 37 o 67.84148 20.29597 142.1772       87.00371 178.2607       91.40594 -205.5936      283.7702 75.25838 20.26246 65.26314 30.40148 9.995239       36.53515 
1 1 1 -2  14 38 o 190.6555 8.866430 1077.178       98.86844 1081.083       105.3148 1048.177       286.9986 190.8692 9.437387 179.9743 28.10919 10.89494       29.65115 
1 1 1 -2  14 39 o 142.2990 10.95964 606.5450       90.75946 652.2714       96.27333 241.3064       272.0889 147.5239 11.21134 92.06622 35.54766 55.45771       37.27372 
1 1 1 -2  14 40 o 39.80443 17.69126 -22.79625      82.79271 -72.07677      87.86774 367.2248       247.1928 36.37180 16.93433 102.2952 34.63242 -65.92337      38.55095 
1 1 1 -2  14 41 f 69.48592 19.55258 156.1476       83.01868 188.9874       88.29933 -94.03820      243.7181 76.21177 19.63440 62.79149 28.86872 13.42028       34.91293 
1 1 1 -2  14 42 o 43.87208 18.52834 14.90912       81.82087 28.38735       125.2541 4.876567       108.0640 53.86769 22.84510 48.20623 20.84490 5.661465       30.92586 
1 1 1 -2  14 43 o 107.8168 15.40747 365.2371       94.65733 385.2404       139.9705 348.3792       128.4958 106.7450 23.03494 101.8778 22.13975 4.867271       31.94960 
1 1 1 -2  14 44 o 298.9420 7.968650 2664.769       139.5837 2590.361       192.5861 2747.112       202.5965 292.3369 11.25389 300.8446 11.50376 -8.507721      16.09306 
1 1 1 -2  14 45 o 70.67123 21.11910 168.7935       94.24379 213.3779       143.6325 135.0874       124.8867 77.97443 26.39923 65.93723 24.38538 12.03719       35.93836 
1 1 1 -2  14 46 f 78.66190 21.49797 214.0280       101.9849 373.0449       145.8182 61.76166       142.6895 102.1275 24.63263 58.28537 24.53366 43.84215       34.76589 
1 1 1 -2  14 47 o 254.6779 9.249679 1957.062       137.9261 2164.826       199.3859 1766.411       190.9982 264.4067 12.89685 237.9290 13.74625 26.47766       18.84908 
1 1 1 -2  14 48 o 118.9278 17.73583 466.2273       119.9280 461.6873       191.9018 469.1366       153.6221 108.0474 29.47357 114.6368 23.63527 -6.589455      37.77985 
1 1 1 -2  14 49 o 107.4592 20.80462 399.1718       126.3766 386.0503       189.9627 409.5902       169.2691 97.25200 30.17151 102.9843 27.50589 -5.732269      40.82761 
1 1 1 -2  15 1  o 644.1262 11.35379 12183.03       428.9062 12283.59       610.6154 12085.09       602.5942 646.3326 16.10872 641.0981 16.02691 5.234558       22.72340 
1 1 1 -2  15 2  o 475.3195 8.876706 6630.578       247.4503 6552.320       341.7491 6716.824       358.7660 472.1626 12.35203 478.0162 12.80884 -5.853607      17.79435 
1 1 1 -2  15 3  o 809.7797 13.94238 19267.63       662.1470 19460.72       947.3656 19083.23       925.8401 812.9848 19.86940 805.1040 19.60801 7.880798       27.91535 
1 1 1 -2  15 4  o 369.9958 7.607714 4016.701       165.0827 4073.774       232.1097 3958.279       234.8385 372.3591 10.63962 367.0188 10.92230 5.340271       15.24789 
1 1 1 -2  15 5  f 547.5549 8.227687 8797.684       264.2141 8789.360       324.5153 8814.051       455.0616 547.2018 10.11200 547.5181 14.18362 -0.3163452     17.41917 
1 1 1 -2  15 6  o 595.6606 8.829786 10412.47       308.4605 10124.28       365.3770 11127.44       575.4985 587.2591 10.60867 615.0270 15.96861 -27.76788      19.17134 
1 1 1 -2  15 7  o 623.1303 11.11451 11400.06       406.1810 11537.43       579.6652 11267.55       569.3276 626.2872 15.79428 618.9260 15.69725 7.361206       22.26798 
1 1 1 -2  15 8  o 692.1746 10.82617 14065.68       439.4818 14247.38       706.5511 13951.02       561.2727 695.9968 17.30955 689.0871 13.88831 6.909729       22.19247 
1 1 1 -2  15 9  o 320.4307 6.890920 3012.307       129.4977 3156.142       199.2442 2907.108       170.3957 327.7273 10.37936 314.5894 9.245607 13.13785       13.90009 
1 1 1 -2  15 10 o 549.0652 9.088259 8847.986       292.6544 8845.984       460.0355 8849.347       379.3021 548.4661 14.31405 548.9457 11.78163 -0.4795532     18.53911 
1 1 1 -2  15 11 o 890.6926 13.41569 23308.95       700.7958 23323.62       1125.362 23299.66       895.6571 889.6010 21.56982 889.9641 17.16006 -0.3630371     27.56311 
1 1 1 -2  15 12 o 266.6390 7.768868 2087.998       121.3581 2284.493       185.5124 1941.000       160.4542 278.6825 11.37435 256.8929 10.67322 21.78961       15.59787 
1 1 1 -2  15 13 o 357.7003 8.886325 3755.463       186.4198 3459.177       235.6086 4251.469       304.8452 342.9822 11.73029 380.1015 13.69746 -37.11929      18.03386 
1 1 1 -2  15 14 o 450.6801 9.528551 5962.800       251.8522 5914.119       341.7716 6020.648       372.5628 448.4296 13.00920 452.3423 14.06079 -3.912689      19.15581 
1 1 1 -2  15 15 o 539.5530 10.39045 8548.996       328.7902 8614.900       461.7066 8481.190       468.3230 541.0587 14.56352 536.7972 14.89034 4.261536       20.82830 
1 1 1 -2  15 16 o 161.5411 8.634082 768.2267       81.50214 685.2609       123.0405 833.0909       108.7929 152.0204 13.95612 168.0385 11.10149 -16.01811      17.83302 
1 1 1 -2  15 17 o 118.6068 15.67299 421.2811       106.3558 320.3604       134.1302 592.1913       174.5502 102.0938 22.95996 139.9070 21.99840 -37.81319      31.79764 
1 1 1 -2  15 18 o 496.3420 7.793290 7232.303       226.8571 7227.403       322.5175 7237.102       319.1577 495.8850 11.08975 496.2303 10.96659 -0.3452454     15.59643 
1 1 1 -2  15 19 o 332.6814 6.644934 3248.500       129.6492 3349.570       191.1823 3162.446       176.4105 337.5037 9.668663 327.9787 9.180274 9.524963       13.33268 
1 1 1 -2  15 20 o 367.4837 6.690562 3964.254       144.1953 3946.108       206.1323 3981.642       201.7833 366.3091 9.603344 367.9825 9.357502 -1.673462      13.40847 
1 1 1 -2  15 21 o 101.0416 10.00040 303.1097       58.48440 244.1922       96.81075 336.9684       73.38984 89.14338 19.09279 106.3248 11.97745 -17.18145      22.53872 
1 1 1 -2  15 22 o 126.4188 8.565806 471.8567       63.13326 425.0949       100.5681 502.2711       81.10625 119.1163 14.70796 130.2072 10.71583 -11.09093      18.19762 
1 1 1 -2  15 23 o 66.10581 14.02699 133.8755       52.69625 158.0634       83.15712 117.6446       68.11971 71.73952 19.33157 62.24360 17.77835 9.495922       26.26365 
1 1 1 -2  15 24 o 192.7944 6.725568 1093.195       75.92908 1069.141       109.2649 1115.659       105.5893 190.3373 9.821494 194.5093 9.282908 -4.171997      13.51422 
1 1 1 -2  15 25 o 284.3155 5.697587 2373.685       95.00403 2449.149       107.9998 2115.509       199.7617 288.7491 6.377518 267.3658 12.77657 21.38327       14.27983 
1 1 1 -2  15 26 o 461.8386 6.764297 6268.075       183.2160 6427.574       215.9536 5858.362       346.1160 467.4992 7.876424 444.9359 13.27883 22.56329       15.43909 
1 1 1 -2  15 27 o 368.2175 6.737710 3984.781       145.5014 3993.622       169.5771 3960.106       283.2929 368.4785 7.847017 365.6734 13.23148 2.805115       15.38336 
1 1 1 -2  15 28 o 36.49304 16.03472 -16.65698      66.16699 6.407395       70.81669 -175.1942      185.6651 41.01133 17.27430 51.98567 24.33907 -10.97434      29.84614 
1 1 1 -2  15 29 o 145.4630 9.470157 625.8862       80.35130 645.9598       87.80752 522.5212       199.2532 147.6864 10.20039 128.8584 27.22030 18.82805       29.06876 
1 1 1 -2  15 30 o 292.1120 6.712719 2507.825       115.0002 2620.573       129.1613 2076.573       252.6058 298.5366 7.377077 263.8525 16.40535 34.68411       17.98768 
1 1 1 -2  15 31 o 209.4028 7.717466 1291.533       94.61589 1336.071       102.9379 1049.008       240.2058 212.9202 8.259092 185.4641 22.54640 27.45605       24.01151 
1 1 1 -2  15 32 o 137.3641 10.06338 559.4012       80.50875 584.1036       86.49754 399.3148       220.1968 140.2996 10.59048 111.9307 31.96192 28.36887       33.67080 
1 1 1 -2  15 33 o 322.8557 6.646059 3065.078       125.8413 3147.593       141.7604 2758.336       273.3219 327.0656 7.390427 304.0775 15.37629 22.98804       17.06015 
1 1 1 -2  15 34 o 326.9638 6.820626 3145.449       130.7900 3104.506       145.1224 3322.555       301.8304 324.6933 7.620978 333.3845 15.47940 -8.691193      17.25373 
1 1 1 -2  15 35 o 250.2916 7.336419 1846.504       107.5751 1907.903       118.0913 1547.095       260.7763 254.3135 7.927360 225.3362 19.93824 28.97737       21.45639 
1 1 1 -2  15 36 o 191.5593 10.93521 1090.660       122.3412 1130.517       138.9684 953.3582       257.9303 194.7154 12.23107 173.6393 26.13790 21.07614       28.85808 
1 1 1 -2  15 37 o 157.9665 10.68397 743.2654       98.39789 782.6240       105.2608 470.6174       277.0432 162.0038 11.14669 117.8931 36.41317 44.11073       38.08107 
1 1 1 -2  15 38 f 51.15577 19.99446 52.52064       86.89834 40.32166       92.20162 149.5061       259.9741 50.35133 20.29567 83.91315 33.98800 -33.56182      39.58659 
1 1 1 -2  15 39 o 85.67735 17.66342 232.3074       85.80404 242.2667       91.44107 158.9203       248.2199 87.29604 18.43950 82.37293 33.26592 4.923103       38.03468 
1 1 1 -2  15 40 o 125.6104 12.09830 478.3091       88.02400 457.2024       93.70799 636.6302       256.6465 122.3804 13.26814 133.1082 33.03283 -10.72781      35.59792 
1 1 1 -2  15 41 o 102.4510 14.86373 326.6223       86.70408 313.2066       92.21933 428.8239       254.5336 99.71017 16.33515 107.1456 35.11511 -7.435471      38.72865 
1 1 1 -2  15 42 o 93.99809 22.85822 297.7229       124.7790 290.4062       138.4588 329.3582       287.9036 91.90576 25.02090 95.74584 36.66972 -3.840080      44.39272 
1 1 1 -2  15 43 o 208.5414 9.098464 1303.124       111.0106 1145.249       156.6664 1462.322       157.3211 192.7019 13.95702 219.0342 12.29622 -26.33235      18.60095 
1 1 1 -2  15 44 o 71.38754 20.82473 171.2300       92.55157 219.2496       136.9127 130.8220       125.5939 79.22889 25.74006 65.64643 24.42128 13.58246       35.48168 
1 1 1 -2  15 45 o 138.2448 12.81047 591.0867       102.6825 526.1369       153.4564 643.7435       138.1731 124.5720 21.79815 141.6652 16.96782 -17.09322      27.62365 
1 1 1 -2  15 46 o 59.33564 21.85568 107.3353       100.1460 225.0737       150.5451 13.87579       134.1280 78.70245 27.01919 52.29434 22.90800 26.40812       35.42334 
1 1 1 -2  15 47 o 59.96543 22.40306 110.0850       105.9138 105.4141       169.6725 113.0669       135.5705 64.83826 26.98365 62.79203 24.84226 2.046238       36.67773 
1 1 1 -2  15 48 o 80.18227 23.10876 232.1217       114.5971 291.8550       184.9722 194.9128       145.9896 85.47122 29.91710 73.39246 26.48569 12.07876       39.95654 
1 1 1 -2  15 49 o 86.85094 23.59385 275.7159       123.2715 41.57725       185.6330 460.4120       164.8722 60.07818 26.60754 110.9775 25.81925 -50.89933      37.07553 
1 1 1 -2  16 1  o 510.4251 9.475069 7646.627       283.6384 7310.009       374.8445 8097.546       433.8423 498.7157 12.82650 524.7878 14.10886 -26.07211      19.06775 
1 1 1 -2  16 2  o 639.6394 11.33209 12012.73       425.1045 12080.94       602.4657 11945.09       599.9196 641.0469 16.02477 637.2278 16.06550 3.819153       22.69127 
1 1 1 -2  16 3  o 246.9088 6.951467 1789.964       100.5614 1737.883       130.0523 1867.405       158.5851 243.1733 9.135334 251.9809 10.75585 -8.807541      14.11179 
1 1 1 -2  16 4  o 387.9932 8.024857 4417.189       182.6047 4417.189       182.6047 0.000000       0.000000 387.9932 8.024857 ?        ?        0.000000       8.024857 
1 1 1 -2  16 5  o 481.6504 7.559462 6806.634       213.5371 6909.640       266.6282 6622.388       356.5933 485.2069 9.369762 474.6604 12.82146 10.54648       15.88025 
1 1 1 -2  16 6  o 764.5191 10.93444 17160.17       490.2701 16835.12       586.0204 17918.30       894.9796 757.0350 13.19916 779.9444 19.58134 -22.90942      23.61455 
1 1 1 -2  16 7  o 618.4300 11.13062 11229.36       403.7015 11521.60       584.1448 10962.17       558.5547 625.8069 15.92879 610.4540 15.61417 15.35297       22.30535 
1 1 1 -2  16 8  o 441.7639 7.975863 5726.532       206.6419 5950.166       328.0526 5579.432       266.0606 449.9201 12.44442 435.9506 10.40621 13.96951       16.22199 
1 1 1 -2  16 9  o 568.6855 9.550176 9492.768       318.5180 10095.82       531.8747 9155.562       397.7228 585.7969 15.49506 558.3239 12.14629 27.47302       19.68830 
1 1 1 -2  16 10 o 235.9457 8.272106 1635.715       114.2895 1621.698       164.0791 1648.925       159.2870 234.6761 11.96103 236.6791 11.50996 -2.003006      16.59957 
1 1 1 -2  16 11 o 474.9814 8.513145 6621.209       237.1467 6630.650       367.5565 6614.476       310.3952 474.8576 13.21090 474.5977 11.15164 0.2599487      17.28835 
1 1 1 -2  16 12 o 604.6214 9.945392 10732.69       352.6598 10437.82       534.7706 10959.60       469.1249 595.5726 15.32298 610.7109 13.09792 -15.13831      20.15810 
1 1 1 -2  16 13 o 326.0508 9.140177 3123.175       174.6070 3148.364       234.4834 3091.823       261.5993 327.1245 12.24378 324.0241 13.79761 3.100372       18.44680 
1 1 1 -2  16 14 o 417.0354 9.130202 5105.757       223.3078 4936.263       296.6659 5327.339       339.2008 409.6759 12.36158 425.4774 13.61096 -15.80157      18.38659 
1 1 1 -2  16 15 o 132.2713 14.67227 520.9377       111.9064 573.5612       142.4110 435.9907       180.9371 138.3823 17.97147 119.0103 26.59393 19.37206       32.09690 
1 1 1 -2  16 16 o 283.4005 9.013758 2360.739       149.6250 2242.330       194.8021 2531.103       233.6632 275.9309 12.06685 293.0263 13.63407 -17.09537      18.20705 
1 1 1 -2  16 17 o 229.5662 7.179664 1548.399       96.54469 1488.539       140.6537 1601.727       132.7578 224.8084 10.69882 233.3036 9.723917 -8.495178      14.45750 
1 1 1 -2  16 18 o 115.1839 16.01553 398.5392       105.2666 398.5392       105.2666 0.000000       0.000000 115.1839 16.01553 ?        ?        0.000000       16.01553 
1 1 1 -2  16 19 o 377.2004 6.729847 4176.702       148.8771 4275.969       213.8973 4083.425       207.3437 381.3270 9.571957 372.6456 9.495070 8.681427       13.48253 
1 1 1 -2  16 20 o 485.9596 7.568533 6935.767       215.7061 7159.869       317.0892 6742.728       294.2937 493.3290 10.95959 478.8089 10.48017 14.52008       15.16399 
1 1 1 -2  16 21 o 393.8165 7.667385 4556.093       177.0891 5026.019       242.6507 4020.564       259.0349 413.3654 10.00914 369.2778 11.97648 44.08762       15.60830 
1 1 1 -2  16 22 o 41.87624 15.42418 40.92506       49.87733 33.53336       90.63962 44.13549       59.73484 49.88964 20.11827 44.79018 16.80588 5.099461       26.21416 
1 1 1 -2  16 23 o 228.5371 6.464104 1535.225       86.55241 1467.809       122.5489 1602.323       122.2588 223.1599 9.384546 233.2299 8.954742 -10.07001      12.97140 
1 1 1 -2  16 24 o 182.5632 8.596686 982.5127       91.78535 996.3257       109.7906 950.4504       167.2706 183.6449 10.23428 178.3560 16.16663 5.288925       19.13375 
1 1 1 -2  16 25 o 289.2211 6.474415 2457.647       109.8199 2510.958       155.9984 2405.268       154.6282 291.9229 9.122942 285.6891 9.240942 6.233795       12.98549 
1 1 1 -2  16 26 o 138.1201 8.183910 563.1915       65.99592 582.6324       70.89224 436.8599       180.7164 140.4379 8.649204 117.8037 26.76741 22.63419       28.13011 
1 1 1 -2  16 27 o 334.9107 6.693863 3296.564       131.4790 3320.711       151.1049 3221.295       266.7761 336.0165 7.667737 329.5677 13.83307 6.448883       15.81607 
1 1 1 -2  16 28 o 413.7397 6.716596 5031.139       162.9772 5192.419       188.4211 4552.010       324.7619 420.1772 7.646215 391.7636 14.15811 28.41357       16.09089 
1 1 1 -2  16 29 o 121.6280 11.40253 440.3719       80.38811 491.7323       86.58567 119.6396       216.3732 128.5497 11.60983 79.49745 31.40525 49.05222       33.48250 
1 1 1 -2  16 30 o 253.2316 7.120006 1886.760       105.6373 1871.657       114.8604 1969.635       269.0591 252.1335 7.776942 256.4604 18.00299 -4.326874      19.61093 
1 1 1 -2  16 31 o 445.8871 7.154330 5846.231       187.0874 5943.064       215.8022 5553.262       375.3653 449.3716 8.188413 432.3570 14.82532 17.01462       16.93636 
1 1 1 -2  16 32 o 222.3480 7.233838 1455.835       94.20503 1548.528       103.2327 994.3156       230.3502 229.2630 7.688604 180.2240 22.26648 49.03906       23.55654 
1 1 1 -2  16 33 o 94.98915 15.40200 275.3768       82.86691 240.5261       88.74373 512.6710       231.5663 88.12187 17.78512 125.6951 31.48355 -37.57320      36.15971 
1 1 1 -2  16 34 o 273.8856 6.931672 2209.188       111.2522 2207.587       120.6628 2218.269       287.3478 273.6812 7.524720 271.0597 18.18073 2.621460       19.67639 
1 1 1 -2  16 35 o 179.5786 8.689259 953.8187       91.24244 935.8721       97.26075 1085.517       263.4741 177.7543 9.362698 186.3194 24.72123 -8.565048      26.43481 
1 1 1 -2  16 36 o 68.12396 20.41284 143.3726       87.95573 165.8976       92.95795 -49.18491      271.7902 72.79955 20.75998 72.00775 32.02606 0.7917938      38.16602 
1 1 1 -2  16 37 o 144.5376 11.20424 624.4092       94.23480 630.7742       100.6113 578.9155       268.9812 145.0954 11.92865 129.9889 34.65321 15.10651       36.64885 
1 1 1 -2  16 38 o 46.92155 19.23040 28.50503       84.41199 31.58041       89.07999 1.446958       264.2282 48.34649 19.77784 72.79523 32.01222 -24.44874      37.62905 
1 1 1 -2  16 39 o 55.72335 20.34262 83.16579       86.45626 88.10320       91.82408 44.60109       256.6270 57.27568 20.95591 73.72295 31.99967 -16.44728      38.25087 
1 1 1 -2  16 40 o 189.1226 9.087420 1066.929       100.4990 1113.726       107.5210 743.3594       282.7296 193.0745 9.524906 142.4805 34.25802 50.59392       35.55750 
1 1 1 -2  16 41 o 141.2440 11.90655 605.5630       97.71181 615.8829       104.1750 530.0519       281.7940 142.1537 12.62677 116.7948 36.82437 25.35890       38.92903 
1 1 1 -2  16 42 o 100.6953 16.18129 321.1764       92.32263 288.3657       97.33807 615.1755       291.3722 94.39437 18.24290 123.7497 37.16976 -29.35538      41.40525 
1 1 1 -2  16 43 o 42.08712 19.75242 -98.30589      123.5451 -73.30907      136.6129 -210.5319      289.4651 46.39074 21.43073 60.94481 29.07762 -14.55407      36.12180 
1 1 1 -2  16 44 o 111.4641 15.28186 393.1777       97.27193 273.6877       152.3159 475.4727       126.4056 86.90414 27.02593 120.8765 18.41161 -33.97231      32.70150 
1 1 1 -2  16 45 o 96.43031 18.41150 307.4470       100.3280 380.5020       153.4034 252.8427       132.6243 102.5615 25.58849 83.83539 25.05306 18.72614       35.81099 
1 1 1 -2  16 46 o 66.47253 22.71533 149.4436       106.3747 199.9473       161.1636 110.4565       141.6009 75.10917 27.71513 63.14032 25.25456 11.96885       37.49562 
1 1 1 -2  16 47 o 70.10153 23.57035 172.2888       114.4994 253.0612       179.1162 116.4747       148.8934 81.27422 29.33620 64.06851 25.80305 17.20570       39.06930 
1 1 1 -2  16 48 o 142.1821 15.36458 648.3345       126.0871 567.9358       189.3528 712.3826       169.0052 122.6207 27.05686 144.5587 20.50954 -21.93799      33.95166 
1 1 1 -2  16 49 o 60.92272 23.83209 112.5622       123.5433 171.7229       188.8728 68.32076       163.3305 71.23852 28.92750 59.76325 25.73305 11.47527       38.71680 
1 1 1 -2  17 1  o 354.1555 7.959985 3680.346       165.3319 3654.061       218.0553 3715.891       253.5729 352.6449 10.55523 355.5002 12.18020 -2.855286      16.11738 
1 1 1 -2  17 2  o 387.4439 8.201515 4404.909       186.3603 4367.334       251.0985 4450.988       278.0666 385.5172 11.11741 389.1126 12.20000 -3.595367      16.50566 
1 1 1 -2  17 3  o 374.2883 8.114761 4110.813       178.1282 4084.350       240.6350 4142.891       264.9375 372.8130 11.01778 375.4001 12.04929 -2.587128      16.32718 
1 1 1 -2  17 4  o 285.6017 7.730085 2395.134       129.3588 2418.423       171.5693 2364.453       196.9220 286.8441 10.21497 283.5035 11.86990 3.340576       15.66015 
1 1 1 -2  17 5  f 243.1336 9.313066 1737.571       132.5514 1715.595       197.8447 1755.470       178.5489 241.2214 14.04561 244.1529 12.51110 -2.931458      18.80975 
1 1 1 -2  17 6  o 867.6002 12.28389 22108.68       625.0376 22984.97       805.4805 20782.42       990.9338 884.1990 15.53297 840.0334 20.11396 44.16553       25.41347 
1 1 1 -2  17 7  o 529.6927 8.439878 8233.933       262.1867 8111.339       316.9621 8499.583       466.5842 525.6355 10.28187 537.5310 14.81461 -11.89551      18.03302 
1 1 1 -2  17 8  o 298.8078 8.181064 2622.134       143.2331 2866.821       213.1149 2420.548       193.4362 312.2182 11.65920 286.8636 11.52116 25.35458       16.39128 
1 1 1 -2  17 9  o 864.4478 13.35972 21958.06       677.3086 22765.68       1124.179 21497.84       848.6246 878.6940 21.81460 854.8075 16.92765 23.88654       27.61199 
1 1 1 -2  17 10 o 754.6051 11.93546 16726.48       528.2133 17126.56       856.2455 16480.68       671.1342 762.3088 19.16732 748.6297 15.28593 13.67914       24.51624 
1 1 1 -2  17 11 o 422.8128 9.164311 5247.791       227.2472 5397.512       314.7206 5084.700       328.4724 428.4221 12.53921 415.7173 13.49043 12.70486       18.41802 
1 1 1 -2  17 12 o 556.3633 9.215257 9087.149       300.6882 9057.758       474.9098 9106.815       388.4706 554.7989 14.60841 556.7556 11.89715 -1.956665      18.84006 
1 1 1 -2  17 13 o 505.9671 8.765835 7515.101       260.1154 7939.287       432.7930 7275.230       325.4546 519.3998 14.22122 497.6606 11.15082 21.73929       18.07163 
1 1 1 -2  17 14 o 218.1459 14.77077 1406.506       187.8591 0.000000       0.000000 1406.506       187.8591 ?        ?        218.1459 14.77077 0.000000       14.77077 
1 1 1 -2  17 15 o 367.4965 8.769463 3965.565       189.0065 3904.461       247.0148 4051.867       293.5624 364.2917 11.57644 370.8906 13.51859 -6.598846      17.79792 
1 1 1 -2  17 16 o 589.8462 8.664048 10217.14       299.7161 10477.99       429.5225 9969.604       418.4207 596.8924 12.26985 582.2341 12.25364 14.65826       17.34073 
1 1 1 -2  17 17 o 224.5573 9.014418 1483.649       118.4764 1533.185       267.7480 1471.588       132.1142 226.7608 20.34911 223.5451 10.10317 3.215729       22.71916 
1 1 1 -2  17 18 o 209.7348 6.788788 1292.696       83.39513 1338.729       121.7283 1251.980       114.4820 213.2000 9.761304 206.1870 9.492755 7.012970       13.61600 
1 1 1 -2  17 19 o 393.8290 8.602101 4557.323       198.6839 4641.571       272.1001 4461.103       290.7935 396.9430 11.70103 388.9732 12.76448 7.969818       17.31607 
1 1 1 -2  17 20 o 322.7118 6.466671 3057.786       122.3901 3120.311       177.6594 3001.310       168.8480 325.6385 9.312108 319.3976 9.022961 6.240936       12.96646 
1 1 1 -2  17 21 o 250.5317 6.393657 1844.331       93.86584 1952.855       139.2699 1754.000       127.0612 257.5200 9.236341 244.0779 8.891198 13.44205       12.82043 
1 1 1 -2  17 22 o 241.2023 6.607596 1710.114       93.38266 1746.040       137.2996 1679.191       127.3833 243.3987 9.637397 238.7508 9.114131 4.647903       13.26449 
1 1 1 -2  17 23 o 132.0629 8.623302 515.1613       66.42371 437.5113       104.1024 568.4826       86.26618 120.6813 15.03363 138.5004 10.70334 -17.81915      18.45459 
1 1 1 -2  17 24 o 250.7873 6.598475 1849.217       96.96658 1782.109       138.0429 1914.581       136.2378 245.8247 9.593399 254.8776 9.128881 -9.052841      13.24273 
1 1 1 -2  17 25 o 325.8222 7.546952 3121.609       144.2124 3331.794       183.3594 2780.729       233.5090 336.2448 9.307116 306.4159 13.02367 29.82892       16.00745 
1 1 1 -2  17 26 o 415.7522 6.513725 5079.483       158.8234 5137.190       182.3522 4898.147       323.2484 417.9713 7.438993 406.5927 13.57487 11.37854       15.47952 
1 1 1 -2  17 27 o 445.1815 6.789462 5825.214       177.2650 5837.941       202.5742 5783.614       366.2415 445.5092 7.753130 441.6429 14.15818 3.866302       16.14203 
1 1 1 -2  17 28 o 38.25148 18.23025 -144.9421      113.1319 -106.7878      133.9499 -239.8788      211.2943 45.70940 21.15289 53.30980 25.26467 -7.600407      32.95070 
1 1 1 -2  17 29 o 315.5278 7.269073 2927.167       134.5139 2860.515       149.5401 3209.717       307.8924 311.6976 8.187475 328.3523 16.03703 -16.65466      18.00614 
1 1 1 -2  17 30 o 110.1848 12.99273 364.0141       82.34749 379.0940       88.03760 258.5397       232.8318 112.3516 13.64007 95.52647 33.55533 16.82508       36.22170 
1 1 1 -2  17 31 f 367.6086 6.771171 3973.310       145.9822 3921.278       162.1266 4196.229       335.5765 365.0716 7.572262 375.4403 15.27241 -10.36871      17.04658 
1 1 1 -2  17 32 o 280.5282 6.774981 2314.508       111.4641 2363.502       122.8188 2085.686       265.4250 283.3058 7.398279 263.6393 17.26142 19.66653       18.78007 
1 1 1 -2  17 33 o 40.36832 17.69426 -16.64986      80.12869 -2.984384      84.42495 -140.7588      254.4251 43.16291 18.54195 64.90111 29.71117 -21.73819      35.02224 
1 1 1 -2  17 34 o 133.1938 10.77694 528.4523       83.46571 526.8602       88.69378 540.7758       246.7545 132.8495 11.49672 127.9712 32.74620 4.878319       34.70574 
1 1 1 -2  17 35 o 214.0485 7.861731 1352.620       98.52409 1355.215       105.6891 1335.403       272.2221 214.1461 8.431778 207.6706 22.72145 6.475494       24.23550 
1 1 1 -2  17 36 o 216.6655 8.447249 1388.482       107.1328 1406.206       115.7695 1282.810       282.6746 217.9017 9.078945 202.0493 24.34500 15.85242       25.98281 
1 1 1 -2  17 37 o 74.59331 23.34173 174.1943       113.4314 233.5781       127.0603 -58.92212      251.7458 85.10198 24.27197 67.87470 30.45940 17.22728       38.94744 
1 1 1 -2  17 38 o 119.9408 12.74701 436.2467       88.29397 420.1049       94.07365 555.6356       255.8428 117.2985 13.94773 125.2092 33.98017 -7.910683      36.73134 
1 1 1 -2  17 39 o 154.5326 10.40802 716.3130       93.77749 714.7883       99.94366 727.5384       271.1800 154.1204 11.13220 142.5438 33.07822 11.57660       34.90121 
1 1 1 -2  17 40 o 112.3664 14.63905 391.1133       94.18024 407.9533       99.57664 248.2569       290.0258 114.5662 15.19434 90.07887 36.10440 24.48730       39.17136 
1 1 1 -2  17 41 o 198.8348 9.105095 1181.953       105.8945 1209.501       113.3445 992.8301       296.9848 200.9085 9.647681 165.8762 31.68309 35.03229       33.11942 
1 1 1 -2  17 42 o 162.9253 10.90715 803.7932       103.6195 813.7362       111.4016 739.9930       282.1906 163.5529 11.69113 137.6853 34.90484 25.86760       36.81074 
1 1 1 -2  17 43 o 153.1313 11.11928 713.0834       99.17955 691.5002       105.4080 879.6923       292.8635 150.3161 12.05794 150.3356 34.01392 -0.1953125E-01 36.08796 
1 1 1 -2  17 44 o 57.62539 21.49411 95.88835       97.41539 4.416087       157.3854 152.6964       124.0294 55.33917 24.50462 68.32413 24.44261 -12.98495      34.61095 
1 1 1 -2  17 45 o 70.81800 22.11969 172.7892       101.9136 -67.70747      155.9541 352.0386       134.6391 49.43598 22.85874 99.89482 23.39508 -50.45884      32.70859 
1 1 1 -2  17 46 o 154.5946 13.29228 745.8843       119.3469 651.8271       175.3368 827.0830       162.9114 137.0984 22.59302 159.2367 17.74567 -22.13828      28.72896 
1 1 1 -2  17 47 o 136.9995 15.35917 601.3173       121.2840 766.5095       181.5406 468.1493       162.9968 149.4117 21.32166 112.8974 25.25102 36.51431       33.04886 
1 1 1 -2  17 48 o 41.41760 19.33593 -72.11061      115.8073 -145.1485      169.4976 -8.164433      158.5976 46.38537 22.16391 53.21259 24.00224 -6.827217      32.67027 
1 1 1 -2  18 1  o 527.3913 10.22041 8165.439       316.1198 8433.481       449.8763 7904.003       444.2979 535.4930 14.33771 518.3665 14.62922 17.12646       20.48375 
1 1 1 -2  18 2  o 797.3867 13.97391 18684.62       653.4875 18483.28       903.8401 18905.15       945.9382 792.2884 19.45171 800.9082 20.15462 -8.619812      28.01032 
1 1 1 -2  18 3  o 1027.941 17.57515 31090.73       1059.540 30912.06       1481.322 31277.90       1516.117 1023.298 24.68293 1029.214 25.11751 -5.915649      35.21557 
1 1 1 -2  18 4  o 1017.772 17.42085 30477.96       1039.849 30524.56       1469.245 30431.19       1471.896 1016.839 24.63720 1015.260 24.72006 1.579407       34.90090 
1 1 1 -2  18 5  o 244.3684 8.261943 1754.446       118.2368 1735.515       141.1347 1799.006       216.5349 242.9415 9.926521 246.9211 15.02379 -3.979614      18.00694 
1 1 1 -2  18 6  f 567.4154 8.957099 9449.835       298.0705 9635.391       372.7392 9120.698       496.4269 572.8178 11.09527 556.7552 15.21766 16.06262       18.83301 
1 1 1 -2  18 7  o 332.8235 10.14000 3255.204       197.6949 3882.211       331.5173 2909.181       246.2762 363.0000 15.60864 314.3576 13.38886 48.64240       20.56432 
1 1 1 -2  18 8  o 114.3944 16.72660 393.1073       108.9014 247.1177       132.6697 694.6478       190.6706 90.01488 24.48648 151.9122 22.04450 -61.89728      32.94765 
1 1 1 -2  18 9  o 420.7476 8.339729 5195.737       205.7899 5392.441       320.3683 5057.558       268.5123 428.1949 12.77154 414.8307 11.04662 13.36420       16.88609 
1 1 1 -2  18 10 o 511.3405 9.020719 7675.556       270.5215 8219.501       448.8546 7365.264       339.0108 528.5010 14.49505 500.7258 11.54418 27.77521       18.53036 
1 1 1 -2  18 11 o 275.9681 7.845413 2236.970       126.8482 2300.953       188.6332 2184.152       171.3855 279.6250 11.52720 272.4877 10.74556 7.137299       15.75891 
1 1 1 -2  18 12 o 208.6245 9.688145 1280.832       118.2140 1325.581       151.7403 1211.737       188.5525 212.0248 12.25514 202.2648 16.02593 9.759979       20.17471 
1 1 1 -2  18 13 o 250.5267 15.77761 1855.234       230.6400 0.000000       0.000000 1855.234       230.6400 ?        ?        250.5267 15.77761 0.000000       15.77761 
1 1 1 -2  18 14 o 604.4330 11.19030 10737.64       396.6800 11288.48       586.1378 10272.13       538.8245 618.7684 16.16565 590.3525 15.57632 28.41583       22.44884 
1 1 1 -2  18 15 o 49.45735 21.00806 1.740485       106.2066 -121.5398      137.1076 186.6913       167.9356 45.71851 21.24109 82.85115 28.53366 -37.13264      35.57180 
1 1 1 -2  18 16 o 597.9961 9.794221 10508.60       343.4937 11380.83       597.6615 10078.38       419.7427 620.9061 16.42709 585.2784 12.22841 35.62762       20.47885 
1 1 1 -2  18 17 o 258.5192 8.770110 1965.746       132.7758 2178.994       182.8216 1727.721       193.1507 271.9112 11.49026 241.7922 13.67659 30.11902       17.86268 
1 1 1 -2  18 18 o 265.2097 7.632912 2067.562       118.5982 1965.705       144.7921 2275.219       206.7392 258.4060 9.570682 277.6374 12.73068 -19.23138      15.92697 
1 1 1 -2  18 19 o 219.1801 7.186655 1412.480       92.25519 1275.609       142.6837 1510.804       120.9343 207.7954 11.75610 226.5088 9.122275 -18.71347      14.88025 
1 1 1 -2  18 20 o 62.09436 15.47943 118.4656       56.17147 191.9645       103.2721 87.58549       66.93942 79.01662 21.64874 55.30070 18.00050 23.71591       28.15468 
1 1 1 -2  18 21 o 193.7916 7.094163 1104.829       80.49207 1355.230       129.3936 946.7645       102.8047 214.3012 10.32566 179.0910 9.825528 35.21016       14.25343 
1 1 1 -2  18 22 o 156.8435 7.884005 725.0202       72.28846 805.0064       116.9768 675.6018       91.94672 164.7414 12.19371 151.0930 10.44047 13.64841       16.05272 
1 1 1 -2  18 23 o 337.5949 6.626059 3348.656       131.1903 3506.817       194.6485 3217.009       177.5854 344.9643 9.630565 330.4680 9.171652 14.49622       13.29913 
1 1 1 -2  18 24 f 233.8896 6.940797 1609.273       95.10207 1637.211       141.5445 1586.283       128.4031 235.4686 10.27439 231.8934 9.461269 3.575226       13.96706 
1 1 1 -2  18 25 o 361.1480 7.778913 3836.322       164.7611 3910.622       206.0381 3704.539       274.3966 364.2032 9.654649 353.6267 13.25417 10.57648       16.39772 
1 1 1 -2  18 26 o 286.4843 8.180351 2416.865       137.3025 2529.786       165.9119 2171.466       244.5832 292.8630 9.672945 270.0432 15.50863 22.81989       18.27795 
1 1 1 -2  18 27 o 275.7654 6.431991 2234.638       104.0245 2318.568       114.0328 1818.485       253.9216 280.8499 6.923173 246.4828 17.68308 34.36703       18.99004 
1 1 1 -2  18 28 o 213.2527 7.344617 1338.732       91.72030 1314.556       98.21624 1503.574       256.4623 211.2466 7.941767 223.4366 19.77522 -12.19002      21.31035 
1 1 1 -2  18 29 o 248.3509 7.204474 1815.026       104.8236 1832.820       113.8013 1715.408       269.2620 249.4927 7.787014 238.8053 19.39238 10.68741       20.89742 
1 1 1 -2  18 30 f 344.6111 6.743616 3491.313       136.2927 3493.136       151.2780 3483.454       314.0824 344.5990 7.485333 341.9538 15.70314 2.645203       17.39594 
1 1 1 -2  18 31 o 147.8638 9.784353 647.7178       84.37135 624.9265       89.76152 820.5704       247.1971 145.0943 10.62207 161.7618 27.00814 -16.66750      29.02186 
1 1 1 -2  18 32 o 107.5038 13.46338 348.3846       83.02816 394.5888       88.60059 15.34446       237.8726 114.5129 13.44867 72.61079 31.15685 41.90212       33.93546 
1 1 1 -2  18 33 o 278.5866 7.109570 2286.354       116.0644 2355.764       127.7279 1957.519       278.0106 282.6722 7.711840 254.2338 18.77818 28.43837       20.30007 
1 1 1 -2  18 34 o 128.2847 11.62346 491.9882       86.50211 516.3805       92.16237 311.5070       250.6934 131.3484 12.09995 100.6060 34.85254 30.74236       36.89320 
1 1 1 -2  18 35 o 193.5696 8.919303 1109.314       100.9834 1121.726       108.4486 1028.359       276.9690 194.5200 9.535303 179.5165 27.15486 15.00351       28.78035 
1 1 1 -2  18 36 o 188.0650 9.087330 1048.889       99.93266 1087.634       106.6633 770.6238       285.8472 191.4083 9.531739 150.9294 33.19735 40.47890       34.53864 
1 1 1 -2  18 37 o 104.3368 14.55340 333.9364       86.63385 350.2574       91.58406 195.0863       267.1284 106.7435 15.04635 87.54495 34.79557 19.19853       37.90942 
1 1 1 -2  18 38 o 121.3934 12.74531 447.8456       89.38774 438.5426       94.15158 532.8601       284.6181 119.8107 13.64200 120.0463 36.87730 -0.2356339     39.31970 
1 1 1 -2  18 39 o 71.43946 20.27426 165.7037       88.87178 129.7846       93.51083 501.0089       285.7061 64.54161 21.29066 114.8120 37.17419 -50.27034      42.83937 
1 1 1 -2  18 40 o 137.2701 11.64460 571.3928       92.86181 541.6957       98.25942 819.6368       284.0901 133.2035 12.73268 149.4002 33.27657 -16.19670      35.62936 
1 1 1 -2  18 41 o 177.1569 9.765311 942.7064       101.0675 930.4513       107.1327 1041.839       304.6990 175.6996 10.44395 168.8491 31.93921 6.850479       33.60342 
1 1 1 -2  18 42 o 126.3470 13.68224 495.0532       99.76884 549.3936       106.3811 98.24355       287.4710 133.0880 13.83082 76.11216 33.43338 56.97584       36.18125 
1 1 1 -2  18 43 o 37.07286 17.42045 -82.79547      96.60728 -96.01118      102.2957 26.21761       293.7997 37.44880 17.69755 71.59758 32.44537 -34.14878      36.95815 
1 1 1 -2  18 44 o 95.19114 19.72298 304.3584       106.4855 344.0910       113.4806 11.55707       308.0598 101.3148 19.80861 70.96789 32.56467 30.34694       38.11613 
1 1 1 -2  18 45 o 54.73676 21.43609 78.19887       100.0436 -49.10718      159.9212 160.0544       128.2347 51.11167 23.45690 68.82907 24.82504 -17.71740      34.15419 
1 1 1 -2  18 46 o 57.29086 22.36927 90.86071       108.6748 -60.02240      170.5942 193.9110       140.9836 51.71536 23.91090 73.61745 26.08886 -21.90210      35.38869 
1 1 1 -2  18 47 o 42.23254 19.46819 -51.60339      111.8746 -53.74074      178.6817 -50.22527      143.4779 52.89102 24.46034 47.97684 22.09124 4.914173       32.95954 
1 1 1 -2  18 48 o 45.55719 20.58970 -22.19052      117.3781 -5.990290      171.3884 -36.50156      161.0855 54.82912 24.82027 51.35118 23.55767 3.477932       34.22002 
1 1 1 -2  19 1  o 316.1053 9.382117 2935.726       173.7410 2701.989       213.3949 3395.328       299.2346 303.0551 12.03028 339.4901 15.06668 -36.43503      19.28036 
1 1 1 -2  19 2  o 529.8299 10.60974 8242.766       329.6793 8008.975       432.1077 8568.419       509.9841 521.8028 14.13302 539.4836 16.13675 -17.68085      21.45081 
1 1 1 -2  19 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  19 4  o 629.5876 11.70051 11642.75       432.0275 11373.59       582.1033 11972.83       644.6281 621.6173 15.98037 637.5968 17.25488 -15.97949      23.51814 
1 1 1 -2  19 5  o 338.8304 7.685703 3369.020       152.7272 3459.155       184.7905 3174.743       271.2964 343.1565 9.190266 328.3292 14.12215 14.82727       16.84921 
1 1 1 -2  19 6  o 133.1028 12.46486 525.0698       96.17078 521.4839       111.1814 535.7251       191.6554 132.3857 14.56000 132.4143 25.60570 -0.2864075E-01 29.45582 
1 1 1 -2  19 7  o 473.3713 8.011598 6576.424       222.4189 6665.631       276.5138 6412.915       374.3597 476.4658 9.895429 466.8741 13.68699 9.591736       16.88944 
1 1 1 -2  19 8  o 281.2192 7.557156 2322.519       124.5260 2405.136       153.7686 2165.094       212.2597 286.0813 9.176770 271.0665 13.39332 15.01483       16.23558 
1 1 1 -2  19 9  o 430.1292 7.169462 5429.164       180.8573 5610.917       243.9388 5207.307       269.5104 437.1492 9.514821 420.9065 10.92715 16.24268       14.48911 
1 1 1 -2  19 10 o 898.1661 13.83863 23723.75       728.9541 24654.07       1212.010 23196.50       912.4285 913.4152 22.62495 887.3583 17.53272 26.05688       28.62315 
1 1 1 -2  19 11 o 432.4759 8.157310 5490.537       206.8995 5473.891       316.6922 5502.933       273.2837 431.3218 12.53275 432.7900 10.76678 -1.468231      16.52251 
1 1 1 -2  19 12 o 593.1301 11.02411 10338.52       383.4812 10750.49       560.1408 9975.103       526.1064 603.9363 15.82815 581.8081 15.43217 22.12823       22.10615 
1 1 1 -2  19 13 o 607.5490 9.973961 10844.83       355.3853 11567.58       603.5150 10461.18       439.7050 626.2161 16.44710 596.3668 12.57180 29.84924       20.70163 
1 1 1 -2  19 14 f 337.4359 8.913872 3346.854       176.2494 3315.929       231.2855 3389.684       272.1885 335.5752 11.77012 339.0414 13.71716 -3.466187      18.07474 
1 1 1 -2  19 15 o 233.9520 9.490651 1610.989       129.9483 1588.259       164.9438 1648.184       210.9937 232.0142 12.16440 235.9446 15.33087 -3.930450      19.57059 
1 1 1 -2  19 16 o 411.5715 8.874111 4977.273       214.2006 4902.972       287.5188 5069.948       321.1075 407.9669 12.03000 414.6660 13.22077 -6.699188      17.87483 
1 1 1 -2  19 17 o 419.7276 7.732368 5174.862       190.3402 5301.313       304.7009 5093.939       243.7504 424.1010 12.26338 416.1954 9.986136 7.905609       15.81498 
1 1 1 -2  19 18 o 247.0578 6.589861 1793.598       95.39759 1706.763       133.9133 1883.073       135.9345 240.7233 9.504069 252.9055 9.179984 -12.18225      13.21361 
1 1 1 -2  19 19 o 54.55091 20.08853 70.38785       84.59766 76.60726       102.4454 57.05439       149.9992 58.59116 22.00351 64.04953 25.86206 -5.458374      33.95587 
1 1 1 -2  19 20 o 262.7864 6.510461 2028.285       100.3379 2135.732       149.7120 1940.666       135.1945 269.2463 9.495914 256.7034 8.993907 12.54288       13.07910 
1 1 1 -2  19 21 o 273.9869 6.557627 2205.222       105.3724 2310.131       154.6844 2114.388       143.9339 280.0056 9.433000 267.9018 9.174414 12.10376       13.15870 
1 1 1 -2  19 22 o 267.4146 6.487365 2100.942       101.7429 2262.626       149.9168 1962.888       138.5292 277.0920 9.238115 258.0750 9.167167 19.01700       13.01460 
1 1 1 -2  19 23 o 383.3185 6.879553 4318.471       154.6573 4298.944       219.7365 4337.641       217.7146 381.8759 9.819510 383.6195 9.684645 -1.743561      13.79185 
1 1 1 -2  19 24 o 35.32043 15.03616 0.2744433      54.61411 2.414609       103.4642 -0.5522023     64.30225 48.58283 20.68933 38.15753 16.28189 10.42530       26.32771 
1 1 1 -2  19 25 f 140.9744 8.901100 587.4326       73.21692 515.4664       119.0829 631.1730       92.83805 130.8321 15.84205 145.8655 10.93185 -15.03343      19.24775 
1 1 1 -2  19 26 o 126.6703 15.72560 483.4066       114.3165 560.3814       137.0309 307.2130       207.3191 136.1059 17.57685 100.0522 31.59086 36.05370       36.15146 
1 1 1 -2  19 27 o 238.3930 6.863020 1671.826       95.85329 1725.061       103.8312 1364.801       249.3546 242.1092 7.320916 212.6604 20.23674 29.44884       21.52026 
1 1 1 -2  19 28 o 218.3999 7.920785 1405.051       101.2864 1487.351       109.9347 942.8480       260.5269 224.6566 8.358398 174.5085 26.26957 50.14813       27.56725 
1 1 1 -2  19 29 o 211.0714 8.202985 1313.203       101.3501 1348.855       109.1010 1088.700       273.7804 213.8507 8.717236 187.8257 25.51301 26.02496       26.96115 
1 1 1 -2  19 30 o 166.5895 8.878051 819.9877       86.42605 837.7519       91.99438 686.4305       252.2442 168.3198 9.355947 146.5646 30.34544 21.75519       31.75499 
1 1 1 -2  19 31 o 95.60138 14.89425 278.2098       80.78917 266.2684       85.77465 372.0677       240.4740 93.16619 16.29108 108.1908 34.00484 -15.02457      37.70581 
1 1 1 -2  19 32 o 341.4338 6.950109 3431.118       139.1710 3500.453       155.9956 3160.700       308.0736 344.7188 7.716084 324.6713 16.23078 20.04749       17.97154 
1 1 1 -2  19 33 o 224.7864 7.711966 1490.776       101.5178 1509.303       109.0392 1370.209       278.1568 226.0840 8.237377 210.5371 22.89568 15.54684       24.33242 
1 1 1 -2  19 34 o 54.31089 20.10086 72.13462       84.88531 68.94521       90.26517 96.52360       249.6098 54.65640 20.62629 79.65151 32.90041 -24.99511      38.83145 
1 1 1 -2  19 35 o 231.7782 8.057723 1587.807       109.3640 1556.540       117.2120 1798.114       303.9911 229.3249 8.731008 240.9463 21.74627 -11.62143      23.43354 
1 1 1 -2  19 36 o 252.2970 7.705381 1881.925       113.8800 1979.214       123.1699 1308.992       298.8992 258.6232 8.130676 201.9280 25.82998 56.69513       27.07943 
1 1 1 -2  19 37 o 59.37884 20.45480 102.8539       86.30325 116.3839       91.42090 -7.945182      261.6160 62.36606 21.06164 71.16943 31.54987 -8.803364      37.93398 
1 1 1 -2  19 38 o 106.0058 20.44536 363.1534       122.5022 429.8792       136.2113 80.82704       280.1832 115.3339 20.90717 77.84858 33.61324 37.48528       39.58484 
1 1 1 -2  19 39 o 140.9922 11.23201 600.7659       92.10870 578.4756       96.56960 825.4500       306.5976 138.0281 12.05020 148.0587 35.72271 -10.03055      37.70039 
1 1 1 -2  19 40 o 176.8707 9.522175 937.6533       98.40980 953.0519       103.9955 805.7490       304.3705 178.1259 9.994991 144.5463 36.03227 33.57967       37.39284 
1 1 1 -2  19 41 o 75.92485 20.27465 192.3341       91.97842 208.0072       96.63235 41.27746       299.9957 78.80683 20.65952 74.19280 33.27606 4.614029       39.16774 
1 1 1 -2  19 42 o 183.6727 10.01983 1017.976       107.5246 1039.315       114.3274 854.5095       316.4335 185.3036 10.56377 144.0369 37.20020 41.26668       38.67102 
1 1 1 -2  19 43 o 33.44375 16.27133 -157.3988      101.8457 -136.1328      107.5662 -341.5352      316.5206 35.98508 17.31529 58.42867 28.48468 -22.44359      33.33461 
1 1 1 -2  19 44 o 64.49720 22.36555 137.0770       103.2478 179.4257       108.8031 -246.1537      327.3037 71.92348 22.90711 61.82996 29.86412 10.09351       37.63777 
1 1 1 -2  19 45 o 76.90353 27.70563 215.3986       159.6663 136.1033       179.6230 513.9469       348.5346 68.63294 28.08164 101.9089 39.98056 -33.27592      48.85718 
1 1 1 -2  19 46 o 85.69828 22.21941 261.2935       112.5951 286.5217       182.4018 245.7620       143.1170 85.01806 29.71203 80.88007 26.31975 4.137993       39.69299 
1 1 1 -2  19 47 o 45.33215 20.58242 -29.53103      118.9273 -140.9450      185.5086 48.21079       154.9607 48.95797 23.33606 57.37379 24.88483 -8.415821      34.11490 
1 1 1 -2  20 1  o 171.0670 12.68938 864.6392       126.4019 855.1896       147.0339 891.4016       247.4416 169.8790 14.90904 171.8431 25.30933 -1.964050      29.37417 
1 1 1 -2  20 2  o 697.7090 12.60104 14304.73       515.6216 14652.88       737.8416 13972.43       720.8533 705.1818 17.85504 688.6012 17.86469 16.58063       25.25767 
1 1 1 -2  20 3  f 434.3239 9.583171 5538.344       244.1032 5735.955       331.4572 5304.146       360.8394 441.6072 12.81151 424.4595 14.51666 17.14767       19.36151 
1 1 1 -2  20 4  o 889.6246 15.41400 23282.57       804.2161 22970.89       1109.136 23628.08       1167.796 882.3285 21.43405 894.6444 22.25697 -12.31592      30.89969 
1 1 1 -2  20 5  o 218.3944 8.247902 1401.939       105.4519 1435.598       123.2329 1309.891       203.7905 220.9179 9.533861 210.2979 16.65938 10.61998       19.19452 
1 1 1 -2  20 6  o 274.7029 7.490506 2216.232       120.5645 2259.704       145.6378 2121.562       214.9226 277.2946 8.967132 268.2735 13.70552 9.021057       16.37836 
1 1 1 -2  20 7  o 879.1516 12.43463 22716.74       641.1315 22969.82       795.8022 22248.68       1082.256 883.5024 15.35843 868.1343 21.25653 15.36810       26.22445 
1 1 1 -2  20 8  o 132.0161 12.15511 516.5557       93.05431 457.1154       109.7254 668.8085       175.6099 123.6713 15.46537 149.1410 20.62889 -25.46966      25.78233 
1 1 1 -2  20 9  o 418.0347 7.082248 5128.744       173.6337 5082.875       228.1026 5191.940       267.7437 416.0311 9.348759 420.2226 10.87313 -4.191437      14.33960 
1 1 1 -2  20 10 o 602.7010 8.583698 10666.00       303.4079 10874.84       409.2059 10411.01       452.1711 608.2553 11.47111 594.9476 12.95906 13.30768       17.30675 
1 1 1 -2  20 11 o 443.5580 8.241669 5776.896       214.3957 5916.103       333.0193 5678.359       280.1828 448.2890 12.67936 439.5446 10.86896 8.744476       16.70032 
1 1 1 -2  20 12 o 105.9285 14.72525 336.7825       89.00992 225.3196       118.0036 483.9138       135.5759 85.72205 22.99750 126.6472 18.82474 -40.92513      29.71962 
1 1 1 -2  20 13 o 204.7428 9.893764 1234.831       118.4495 1257.436       146.1858 1191.623       202.1112 206.3800 12.13128 200.1612 17.38950 6.218857       21.20289 
1 1 1 -2  20 14 o 342.6996 8.866715 3452.867       178.0582 3392.952       233.6509 3535.862       274.9952 339.3753 11.75691 346.1964 13.57044 -6.821167      17.95499 
1 1 1 -2  20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  20 16 o 98.20206 18.21007 294.4986       101.0168 326.2421       125.6024 236.3600       169.9818 102.9054 21.50565 89.51305 28.64528 13.39233       35.81962 
1 1 1 -2  20 17 o 209.9961 9.566739 1299.700       117.5124 1358.334       150.4778 1208.049       188.1339 214.3836 12.01634 201.4937 16.05307 12.88991       20.05227 
1 1 1 -2  20 18 o 200.9235 7.658637 1188.024       90.08176 1082.777       138.4356 1265.315       118.6341 191.2328 12.41043 207.1385 9.793320 -15.90570      15.80911 
1 1 1 -2  20 19 o 121.4465 10.09305 437.1746       71.23914 483.7437       127.1002 415.8433       86.02129 126.5124 17.60662 118.0600 12.61922 8.452423       21.66190 
1 1 1 -2  20 20 o 296.5199 6.763154 2583.210       117.6125 2667.443       173.8854 2512.178       159.6797 300.8311 9.869110 292.0145 9.335833 8.816589       13.58518 
1 1 1 -2  20 21 o 359.8288 6.901039 3804.989       145.6334 3843.893       210.1971 3769.073       201.9630 361.1103 9.934573 357.6309 9.637900 3.479401       13.84142 
1 1 1 -2  20 22 o 34.72879 15.13208 -10.54335      57.84828 151.0606       113.4050 -67.38382      67.25661 71.91359 23.43080 31.25323 14.63773 40.66035       27.62726 
1 1 1 -2  20 23 f 205.4404 7.445434 1242.709       89.55865 1346.677       141.2610 1172.832       115.8079 213.3150 11.33213 199.2495 9.941789 14.06546       15.07502 
1 1 1 -2  20 24 o 411.2845 7.375244 4974.062       177.8972 4986.763       254.3882 4961.906       248.8718 411.0779 10.56044 410.1011 10.35576 0.9768372      14.79070 
1 1 1 -2  20 25 o 35.62909 17.24417 -178.2520      110.5259 -137.3699      130.1951 -283.7294      209.1259 42.78393 20.14120 50.89386 24.39869 -8.109932      31.63801 
1 1 1 -2  20 26 o 297.8217 10.25890 2617.779       178.9200 2899.430       238.2354 2253.391       270.9770 312.8522 13.01265 274.7455 16.89888 38.10672       21.32841 
1 1 1 -2  20 27 o 320.5960 10.00626 3032.354       187.9093 2973.707       234.9460 3136.469       313.0417 316.8983 12.66699 324.3822 16.50917 -7.483978      20.80878 
1 1 1 -2  20 28 o 187.4563 8.329107 1036.338       91.34048 1048.399       97.10907 943.7687       269.0237 188.4828 8.809283 174.0977 27.24029 14.38509       28.62930 
1 1 1 -2  20 29 o 67.96333 18.03101 142.9589       73.04474 172.1473       76.11269 -197.3661      259.8955 74.46793 17.69106 63.17868 29.31591 11.28924       34.24027 
1 1 1 -2  20 30 o 50.50748 19.30569 53.95576       79.69576 36.14522       83.74159 225.0314       259.5355 48.47446 19.41019 93.34931 35.02951 -44.87485      40.04775 
1 1 1 -2  20 31 o 197.7086 8.111680 1153.793       93.85631 1109.829       99.40017 1515.269       285.0214 193.7910 8.768586 222.2849 22.15823 -28.49391      23.83014 
1 1 1 -2  20 32 o 103.2086 14.13037 323.0274       83.28690 360.0482       87.72628 -15.23035      265.1739 109.0807 14.03805 73.71584 32.25306 35.36488       35.17565 
1 1 1 -2  20 33 o 144.0459 10.64564 617.7657       89.29836 648.3648       94.74171 374.1996       267.2980 147.5082 11.03142 107.8678 36.00971 39.64043       37.66153 
1 1 1 -2  20 34 o 172.1104 10.07168 880.3024       101.2179 887.6535       107.7009 824.6971       296.2117 172.6867 10.68668 156.9855 33.21127 15.70119       34.88830 
1 1 1 -2  20 35 o 269.9064 7.477285 2151.566       118.2467 2200.337       128.0963 1870.523       307.5002 272.8062 8.014992 245.2794 21.59670 27.52678       23.03600 
1 1 1 -2  20 36 o 198.1247 8.277846 1164.146       95.97292 1192.350       102.0570 948.5287       282.1825 200.3960 8.704426 168.0411 29.71986 32.35492       30.96833 
1 1 1 -2  20 37 o 46.93816 19.33918 28.57773       85.95510 -6.245157      89.87175 402.1787       294.3708 43.37677 18.88114 105.7181 37.67413 -62.34128      42.14069 
1 1 1 -2  20 38 o 66.94460 20.82590 143.4426       90.43796 181.5487       94.78350 -243.7801      302.1454 74.48418 20.86834 62.96398 29.94703 11.52020       36.50085 
1 1 1 -2  20 39 o 152.3038 10.74310 699.4999       95.34445 710.4484       100.7228 605.1163       295.7313 153.2807 11.28351 123.8772 37.49937 29.40352       39.16019 
1 1 1 -2  20 40 o 77.46758 19.90538 198.8278       90.91692 258.4100       95.63190 -361.1033      293.1647 88.88047 18.92676 56.62432 27.56219 32.25615       33.43496 
1 1 1 -2  20 41 o 80.83861 20.04066 218.6972       94.53613 192.7104       99.88533 442.0117       292.8081 75.47314 21.51870 103.3063 37.47802 -27.83320      43.21639 
1 1 1 -2  20 42 o 224.2245 8.824884 1508.056       115.8227 1540.502       124.6534 1303.090       313.3020 226.2796 9.413645 189.0636 29.19484 37.21596       30.67499 
1 1 1 -2  20 43 f 110.9897 17.21792 399.8226       108.4474 409.2578       115.7957 332.4811       309.3568 111.6319 18.32206 90.78223 36.96293 20.84962       41.25477 
1 1 1 -2  20 44 o 148.2936 13.20726 685.5422       113.6639 681.1343       120.5928 720.6269       340.2246 147.1824 14.14453 121.1215 40.62918 26.06089       43.02090 
1 1 1 -2  20 45 o 40.60939 18.91627 -69.23476      109.8444 -48.91728      115.9883 -245.9173      342.0393 43.42204 19.94588 62.18716 30.15431 -18.76512      36.15413 
1 1 1 -2  20 46 o 124.5181 17.43182 510.3969       123.8164 533.3053       198.4601 495.7977       158.4312 116.3911 29.14235 117.4250 23.82091 -1.033875      37.63923 
1 1 1 -2  20 47 o 50.43864 22.14419 16.21282       125.9594 -91.26901      195.5865 92.38118       164.6488 52.65720 24.75713 62.16244 26.26972 -9.505241      36.09728 
1 1 1 -2  21 1  o 96.98786 16.43225 284.5422       90.13478 283.6269       100.4778 288.3138       203.9685 96.51505 18.42291 99.11365 31.33969 -2.598602      36.35354 
1 1 1 -2  21 2  o 546.4357 10.59574 8770.786       339.5635 8852.122       467.2480 8679.750       494.3258 548.3605 14.54167 542.8406 15.54310 5.519897       21.28493 
1 1 1 -2  21 3  o 312.4443 8.821028 2868.352       161.4758 2936.914       207.6696 2763.514       256.7969 315.9662 11.22463 306.1685 14.34126 9.797791       18.21165 
1 1 1 -2  21 4  o 590.1161 10.98158 10231.19       380.0608 10182.34       523.8065 10285.48       552.2988 587.9973 15.20231 590.8410 15.95330 -2.843750      22.03674 
1 1 1 -2  21 5  o 481.1189 9.622577 6798.075       271.5154 7106.487       387.7364 6501.329       380.3321 491.3709 13.46748 469.9212 13.81526 21.44968       19.29338 
1 1 1 -2  21 6  o 207.9110 8.397498 1271.175       102.1841 1378.654       120.6322 998.1558       192.2636 216.4521 9.526118 183.0999 18.14266 33.35219       20.49154 
1 1 1 -2  21 7  o 463.5085 7.778669 6306.798       211.4528 6429.425       263.0305 6082.758       355.5314 467.8609 9.586034 454.5259 13.35180 13.33493       16.43662 
1 1 1 -2  21 8  o 346.4519 7.120350 3523.102       144.6754 3488.183       173.7973 3601.907       261.0913 344.6547 8.598214 349.7034 12.75175 -5.048706      15.37974 
1 1 1 -2  21 9  o 203.0428 8.334039 1212.633       99.03061 1272.807       124.4715 1108.849       163.4679 207.8694 10.24160 193.5126 14.50930 14.35684       17.75979 
1 1 1 -2  21 10 o 59.81897 20.08212 99.21360       83.11918 80.04028       102.8302 135.3543       141.1790 59.38055 22.09616 72.93176 26.07928 -13.55121      34.18142 
1 1 1 -2  21 11 o 559.1458 8.031723 9181.447       263.3809 9298.621       355.0926 9038.145       392.6928 562.3723 10.76632 554.2497 12.08084 8.122559       16.18209 
1 1 1 -2  21 12 o 283.7966 7.577872 2366.767       126.0132 2347.038       183.0953 2384.523       173.6953 282.2697 11.08172 284.5920 10.42436 -2.322327      15.21419 
1 1 1 -2  21 13 o 214.8169 9.313365 1358.849       117.0557 1404.708       145.8813 1275.946       196.1449 218.1907 11.44018 207.2411 16.26836 10.94958       19.88812 
1 1 1 -2  21 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  21 15 o 406.8741 8.898468 4866.650       212.3370 4823.569       280.7195 4924.258       324.6217 404.5071 11.84579 408.3756 13.57285 -3.868500      18.01513 
1 1 1 -2  21 16 o 408.1686 8.882580 4898.726       212.6323 4949.181       285.8267 4836.201       318.1841 409.6505 11.90968 404.6304 13.42676 5.020081       17.94766 
1 1 1 -2  21 17 o 509.3257 8.641624 7628.145       258.1318 7531.782       397.3674 7698.496       339.5256 504.9328 13.43055 511.1601 11.32570 -6.227356      17.56847 
1 1 1 -2  21 18 o 291.1551 8.595807 2495.308       146.6175 2569.906       193.8016 2395.472       224.2014 295.0875 11.21884 284.4726 13.47671 10.61487       17.53522 
1 1 1 -2  21 19 o 274.6750 7.280279 2218.940       117.1749 2324.339       185.2837 2148.691       151.2645 280.5529 11.28389 269.9968 9.567865 10.55612       14.79426 
1 1 1 -2  21 20 o 305.9232 7.263412 2751.098       130.3177 2761.754       203.0188 2743.630       169.9527 305.7732 11.34069 305.0959 9.509809 0.6772461      14.80026 
1 1 1 -2  21 21 o 342.9768 6.941371 3457.546       139.6242 3493.038       203.8153 3426.160       191.6615 344.1354 10.10946 340.9203 9.595411 3.215057       13.93819 
1 1 1 -2  21 22 o 579.2420 9.789831 9886.538       332.5721 10691.29       568.6738 9468.234       409.9942 599.6405 16.18524 566.0473 12.35021 33.59320       20.35902 
1 1 1 -2  21 23 o 453.1651 7.830855 6040.814       208.1211 6083.885       301.0658 6001.395       288.0227 454.0073 11.30702 451.0255 10.88868 2.981812       15.69751 
1 1 1 -2  21 24 o 131.5430 15.63931 520.6439       118.2932 624.8447       138.6182 241.4051       226.9200 144.0304 16.72065 93.28234 33.09444 50.74805       37.07859 
1 1 1 -2  21 25 o 339.8260 11.07378 3410.833       220.4057 3410.833       220.4057 0.000000       0.000000 339.8260 11.07378 ?        ?        0.000000       11.07378 
1 1 1 -2  21 26 o 175.5243 9.304696 909.9523       95.44116 767.0379       156.8145 994.0389       120.2850 159.6927 17.00492 183.1841 11.25054 -23.49141      20.38975 
1 1 1 -2  21 27 o 291.6153 7.674472 2503.333       131.1389 2319.764       180.9561 2706.380       190.3146 280.1289 11.03610 302.6689 10.73847 -22.53998      15.39838 
1 1 1 -2  21 28 o 316.3946 6.910856 2943.793       128.2364 3090.707       141.4347 2265.007       304.0126 324.1207 7.440443 274.3828 19.00980 49.73788       20.41403 
1 1 1 -2  21 29 o 385.8538 7.448170 4381.573       168.5477 4345.137       188.3700 4527.877       377.4622 384.0662 8.362865 389.1540 16.57668 -5.087799      18.56674 
1 1 1 -2  21 30 o 43.28176 18.23564 8.492634       78.95270 23.24861       82.77823 -140.1751      262.7487 46.28359 19.01435 66.16628 30.25371 -19.88269      35.73279 
1 1 1 -2  21 31 o 119.7964 11.96273 429.7479       82.92477 422.4131       87.09724 500.8460       271.1687 118.5991 12.72049 122.7493 35.59905 -4.150208      37.80348 
1 1 1 -2  21 32 o 350.3255 7.098680 3614.581       145.8478 3643.554       161.0843 3482.793       343.5493 351.5652 7.812623 339.8455 17.29367 11.71973       18.97651 
1 1 1 -2  21 33 o 142.4932 11.27051 606.2885       93.41989 572.7349       98.74232 892.6006       288.4388 138.2279 12.30889 164.9821 30.94681 -26.75420      33.30486 
1 1 1 -2  21 34 o 119.1068 13.50545 429.4310       92.67686 474.4208       97.31171 -9.396635      303.9170 125.2746 13.45564 77.54263 34.20703 47.73199       36.75834 
1 1 1 -2  21 35 o 55.80687 20.44992 81.16886       87.49498 125.2323       92.56787 -288.1187      267.9807 64.32226 21.18141 58.33651 27.87285 5.985744       35.00783 
1 1 1 -2  21 36 o 146.3152 10.93388 643.0549       93.14568 678.9209       98.15349 318.2314       295.3849 150.2684 11.21846 98.40024 37.27246 51.86812       38.92416 
1 1 1 -2  21 37 o 182.2772 9.101139 991.2491       96.98456 1011.688       101.9360 796.0631       315.0107 184.0192 9.477183 145.2621 36.90771 38.75710       38.10507 
1 1 1 -2  21 38 o 182.0193 9.215886 990.4471       98.05948 1009.387       104.2957 846.1274       287.8983 183.5587 9.722827 152.0517 33.21620 31.50700       34.60996 
1 1 1 -2  21 39 o 92.25830 23.78184 290.5217       129.4931 349.3360       143.4595 31.81558       300.8784 100.9211 24.48972 74.66194 33.41789 26.25920       41.43069 
1 1 1 -2  21 40 o 69.91720 21.48634 162.7804       96.60889 237.1850       101.4789 -557.0736      315.6445 84.04880 20.72066 53.29668 26.44785 30.75212       33.59814 
1 1 1 -2  21 41 o 61.47999 21.22088 119.3839       92.90540 136.6620       97.63169 -46.22226      302.2605 64.82771 21.76479 68.89301 31.84410 -4.065292      38.57140 
1 1 1 -2  21 42 o 148.0212 12.04829 673.3285       103.6886 648.2865       109.3988 894.5966       325.1903 144.6686 13.03361 144.3474 37.92688 0.3211975      40.10390 
1 1 1 -2  21 43 f 181.3798 11.08161 1004.961       117.3180 1049.743       125.9240 710.5170       322.8895 184.9931 11.66594 123.1634 39.48693 61.82967       41.17416 
1 1 1 -2  21 44 o 88.18810 22.22557 274.2049       114.8921 319.5467       122.2111 -70.69269      337.0590 95.35629 22.25987 68.18377 32.19277 27.17252       39.13919 
1 1 1 -2  21 45 o 62.16479 23.49325 121.8782       117.1974 43.32927       123.8914 790.3922       361.4319 53.13597 22.63442 122.0829 41.86666 -68.94695      47.59343 
1 1 1 -2  21 46 o 73.50061 29.08000 191.0399       185.7749 220.8744       212.2400 93.28921       384.1737 77.13152 30.89560 75.92622 35.37019 1.205307       46.96369 
1 1 1 -2  22 1  o 280.0338 13.45014 2312.452       220.2501 2312.452       220.2501 0.000000       0.000000 280.0338 13.45014 ?        ?        0.000000       13.45014 
1 1 1 -2  22 2  o 436.8238 9.432726 5604.684       241.6540 5821.500       330.8187 5356.638       353.8427 444.7153 12.69703 426.3734 14.17012 18.34195       19.02648 
1 1 1 -2  22 3  o 331.8526 8.898471 3236.469       173.0291 3242.914       218.5911 3225.656       283.1505 331.9648 11.24391 330.6754 14.63667 1.289398       18.45691 
1 1 1 -2  22 4  o 547.0021 10.52623 8792.819       337.6855 8729.212       458.5435 8868.192       499.1560 544.3294 14.37635 548.4348 15.53455 -4.105347      21.16605 
1 1 1 -2  22 5  o 270.1064 8.771432 2144.917       138.7649 2098.984       171.1853 2232.937       236.9689 267.0016 10.95533 274.9635 14.74884 -7.961975      18.37247 
1 1 1 -2  22 6  f 125.5303 11.73168 467.3990       85.36897 501.2754       98.92804 368.6006       168.9450 129.8548 13.17209 109.1799 26.62706 20.67492       29.70698 
1 1 1 -2  22 7  o 422.4613 7.453952 5239.787       184.6818 5504.517       231.2192 4773.279       306.9388 432.8744 9.107757 402.5158 13.01937 30.35852       15.88884 
1 1 1 -2  22 8  o 260.9309 7.386593 2000.565       112.9232 2041.864       134.1241 1900.019       209.2775 263.5108 8.690650 253.5888 14.12740 9.922012       16.58646 
1 1 1 -2  22 9  o 380.7271 7.304325 4255.974       163.0964 4360.154       201.2293 4056.501       278.4460 385.2399 8.906548 370.9909 12.81681 14.24905       15.60760 
1 1 1 -2  22 10 o 547.3806 7.885602 8799.998       253.1482 8899.020       338.8913 8674.992       380.7678 550.1169 10.50400 542.9245 11.95832 7.192444       15.91652 
1 1 1 -2  22 11 o 313.9599 8.406158 2898.074       154.6434 2928.605       204.6096 2857.399       236.1669 315.3068 11.08200 311.1833 12.96896 4.123444       17.05886 
1 1 1 -2  22 12 o 373.7899 6.685016 4102.427       146.5482 4333.875       201.5658 3842.896       213.4449 383.9915 8.950449 361.3346 10.08209 22.65686       13.48180 
1 1 1 -2  22 13 o 270.1051 8.631106 2146.549       136.5501 2225.481       179.1769 2037.193       210.9001 274.7289 11.14370 262.4445 13.75012 12.28439       17.69881 
1 1 1 -2  22 14 o 696.6253 11.06327 14289.52       451.9947 14955.91       755.2860 13917.70       564.1708 709.9811 18.15392 686.6466 14.00964 23.33453       22.93109 
1 1 1 -2  22 15 o 47.30246 19.81919 11.64031       92.45448 52.19574       108.3093 -97.26761      177.4887 56.06428 22.19695 55.52974 25.18552 0.5345383      33.57104 
1 1 1 -2  22 16 o 175.1127 10.18147 905.8215       104.1122 1076.704       130.2573 603.5418       173.2439 190.7605 11.69922 140.6390 21.70142 50.12158       24.65408 
1 1 1 -2  22 17 o 274.9124 8.541928 2225.009       137.5541 2322.966       176.4891 2073.425       219.5465 280.5850 10.74500 264.4367 14.20863 16.14832       17.81404 
1 1 1 -2  22 18 o 419.1963 7.954348 5167.384       195.5566 5546.204       318.8147 4938.884       247.6081 433.2089 12.56173 409.3039 10.32322 23.90497       16.25933 
1 1 1 -2  22 19 f 214.7367 7.549119 1357.483       94.92419 1335.409       142.5463 1375.072       127.2400 212.4347 11.48412 215.7966 10.08163 -3.361862      15.28150 
1 1 1 -2  22 20 o 90.02296 13.33424 244.7637       68.27415 181.9735       115.4585 278.5250       84.66227 77.38247 23.43216 95.69447 15.62386 -18.31200      28.16329 
1 1 1 -2  22 21 o 275.0388 7.357766 2225.922       118.5769 2381.145       187.1899 2121.892       153.2442 283.8252 11.26795 268.1758 9.759757 15.64941       14.90703 
1 1 1 -2  22 22 o 282.9016 7.458669 2355.198       123.6427 2470.324       193.2363 2275.389       160.8887 289.0602 11.42104 277.6895 9.894875 11.37073       15.11121 
1 1 1 -2  22 23 o 35.80517 15.71927 -15.56389      63.46780 -146.5289      120.1337 35.14272       74.75140 39.84775 18.93266 46.44548 18.42388 -6.597725      26.41751 
1 1 1 -2  22 24 o 406.0168 7.836033 4848.999       186.5910 5139.014       275.9417 4604.678       253.2724 417.1401 11.28975 394.9274 10.94559 22.21268       15.72464 
1 1 1 -2  22 25 o 269.3600 9.977609 2141.354       157.3472 2101.034       184.6071 2248.441       300.8578 266.4579 11.84283 273.8032 18.85085 -7.345245      22.26223 
1 1 1 -2  22 26 o 252.5208 10.23505 1883.503       151.2644 1876.148       175.4731 1904.780       298.4435 251.7028 11.92087 251.2758 20.42773 0.4269714      23.65162 
1 1 1 -2  22 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  22 28 o 136.2435 9.710835 550.3494       77.08436 563.0238       80.20792 397.0642       278.9359 137.7668 9.995070 112.3256 36.75674 25.44116       38.09146 
1 1 1 -2  22 29 o 134.2444 10.98231 536.5689       85.70992 573.0958       89.99804 180.4323       281.0188 138.7350 11.15501 90.75952 35.81037 47.97543       37.50756 
1 1 1 -2  22 30 o 150.5889 9.904202 672.9898       86.98523 703.0077       91.35030 381.2192       284.8005 153.8738 10.17989 109.7360 37.17350 44.13779       38.54218 
1 1 1 -2  22 31 o 190.3214 8.307424 1070.450       92.50325 1150.318       97.41643 338.0364       295.0006 197.2826 8.439124 105.3489 37.69520 91.93372       38.62832 
1 1 1 -2  22 32 o 266.1537 7.671563 2090.425       119.6227 2203.182       128.7933 1382.161       322.7885 273.1572 8.048293 208.7101 27.00314 64.44717       28.17702 
1 1 1 -2  22 33 f 218.9619 8.404158 1418.585       107.7225 1435.209       115.3713 1305.534       300.8588 220.1102 8.956021 202.5587 25.91877 17.55147       27.42249 
1 1 1 -2  22 34 o 104.7115 14.93673 336.6162       89.13068 331.7736       93.47382 385.1244       295.8418 103.6479 15.88263 106.9855 37.80346 -3.337570      41.00438 
1 1 1 -2  22 35 o 126.2303 12.23544 481.9979       89.44570 505.3751       94.03408 259.8387       289.8818 129.1735 12.57141 93.50632 36.52698 35.66717       38.62979 
1 1 1 -2  22 36 o 47.03836 19.35996 29.76947       86.01989 66.17285       89.58231 -400.8217      308.0945 53.14927 20.42957 58.45192 28.40698 -5.302650      34.99034 
1 1 1 -2  22 37 o 126.8835 12.65939 491.2134       92.94781 445.9122       98.06269 891.7990       291.6063 120.2427 14.17803 156.9953 32.73281 -36.75262      35.67146 
1 1 1 -2  22 38 o 49.06699 19.93260 41.39592       89.71888 46.52107       93.97232 -11.40544      301.6265 50.55677 20.44991 72.69390 32.91519 -22.13713      38.75059 
1 1 1 -2  22 39 o 161.8769 10.69458 792.4692       100.9623 808.5109       107.0310 662.9234       304.1553 163.2532 11.24760 126.7123 37.95728 36.54086       39.58868 
1 1 1 -2  22 40 o 84.45517 20.27290 239.3831       99.13734 243.6374       104.8285 203.3640       305.0260 84.81565 21.14803 83.66151 35.57213 1.154144       41.38376 
1 1 1 -2  22 41 o 161.6953 10.82709 795.0013       102.0821 776.3661       107.0042 983.6942       340.4954 159.4067 11.52353 152.2959 38.19427 7.110779       39.89479 
1 1 1 -2  22 42 o 181.5474 10.87057 1004.494       115.2125 1009.924       121.6500 957.2300       358.9258 181.6474 11.47780 143.8434 40.71778 37.80392       42.30458 
1 1 1 -2  22 43 o 44.81998 19.91459 -9.868356      104.8321 6.471079       111.2715 -138.9082      312.6995 47.64994 20.86948 63.78162 30.37258 -16.13168      36.85144 
1 1 1 -2  22 44 o 113.2677 17.89837 424.1683       114.9515 401.0286       121.7461 614.2908       348.9735 108.7371 19.82098 108.7374 40.65726 -0.2746582E-03 45.23145 
1 1 1 -2  22 45 o 127.6809 17.83751 539.3262       129.9302 498.3146       137.9495 861.6204       386.7166 120.8278 20.17827 124.1705 43.27150 -3.342789      47.74500 
1 1 1 -2  22 46 o 162.9071 14.46260 844.5889       136.7429 857.4496       144.0857 727.9700       433.8838 163.4896 15.20143 107.3758 43.75391 56.11377       46.31941 
1 1 1 -2  23 1  o 241.7687 9.720360 1720.373       137.5456 1670.461       163.9416 1839.028       252.7741 238.0223 11.78074 248.9994 17.41935 -10.97705      21.02901 
1 1 1 -2  23 2  o 344.8484 12.54264 3504.000       253.2467 3504.000       253.2467 0.000000       0.000000 344.8484 12.54264 ?        ?        0.000000       12.54264 
1 1 1 -2  23 3  o 291.8767 13.31136 2513.313       227.2624 2513.313       227.2624 0.000000       0.000000 291.8767 13.31136 ?        ?        0.000000       13.31136 
1 1 1 -2  23 4  o 361.6703 8.684249 3842.398       184.2025 4031.019       250.4768 3620.239       271.8355 370.0144 11.55663 350.4072 13.25153 19.60715       17.58291 
1 1 1 -2  23 5  o 268.1512 8.477742 2114.228       133.1571 2180.156       170.5551 2011.310       213.0954 272.0884 10.70910 260.9230 13.97651 11.16541       17.60760 
1 1 1 -2  23 6  o 121.2897 12.14113 437.2330       85.20451 572.5996       96.62583 -35.97663      180.6610 138.9846 11.97084 60.92254 26.63948 78.06203       29.20553 
1 1 1 -2  23 7  o 348.8173 6.953344 3572.363       142.2467 3762.210       176.4501 3219.956       240.4036 357.8636 8.407248 330.4859 12.42543 27.37766       15.00244 
1 1 1 -2  23 8  o 362.0624 7.033748 3849.164       149.3553 4090.201       188.7001 3444.914       244.3741 373.1015 8.623720 341.8495 12.20865 31.25198       14.94723 
1 1 1 -2  23 9  o 283.4301 8.137843 2362.033       135.1313 2353.645       176.0905 2374.048       210.7564 282.6553 10.64154 283.6030 12.70349 -0.9476624     16.57170 
1 1 1 -2  23 10 o 309.9347 6.661455 2820.602       121.0849 2895.169       154.9854 2703.787       193.9847 313.7663 8.430004 302.9107 10.93744 10.85559       13.80915 
1 1 1 -2  23 11 o 280.7539 6.832682 2314.849       112.5039 2327.381       145.5343 2296.240       177.3511 281.2339 8.834587 279.0964 10.85571 2.137451       13.99630 
1 1 1 -2  23 12 o 567.5524 8.150106 9467.115       271.2812 9502.477       360.3253 9420.844       412.1817 568.1219 10.81441 565.3145 12.43220 2.807434       16.47759 
1 1 1 -2  23 13 o 229.5878 9.725176 1553.735       130.6508 1707.843       166.9175 1309.979       209.9260 240.4278 11.87442 209.5482 17.23391 30.87967       20.92867 
1 1 1 -2  23 14 o 329.4509 8.876762 3194.667       171.3562 3367.089       229.6409 2978.047       257.3957 337.7883 11.60914 317.2151 13.86908 20.57321       18.08656 
1 1 1 -2  23 15 f 39.61055 18.41138 -90.85155      103.1855 -96.06696      122.7957 -78.32094      190.3377 44.03736 20.33451 59.13887 26.51636 -15.10151      33.41571 
1 1 1 -2  23 16 o 111.0211 17.06745 374.1128       107.5758 341.2350       128.8246 449.8574       195.5342 104.9769 21.64390 119.5169 28.33063 -14.53996      35.65225 
1 1 1 -2  23 17 o 763.5800 11.82047 17207.54       529.3460 17352.10       854.2604 17117.44       674.4335 762.6218 19.11494 760.0266 15.13073 2.595215       24.37868 
1 1 1 -2  23 18 o 281.8474 7.544311 2337.497       124.5929 2457.311       194.6264 2254.302       162.1801 288.3282 11.53297 276.4157 10.02083 11.91248       15.27830 
1 1 1 -2  23 19 o 38.86256 16.83085 -8.804326      70.67266 -22.87557      128.6493 -2.722597      84.57748 51.46312 22.49212 43.41790 18.60338 8.045219       29.18872 
1 1 1 -2  23 20 o 255.8555 7.667871 1927.067       114.9290 2130.851       187.2536 1803.906       145.5734 268.3351 11.92859 247.1864 10.06273 21.14868       15.60608 
1 1 1 -2  23 21 o 74.74223 17.07613 172.7408       73.20932 79.74109       139.4131 208.1506       86.02488 64.67489 25.31165 81.97890 18.35081 -17.30402      31.26391 
1 1 1 -2  23 22 o 212.7380 8.682041 1334.395       108.0946 1263.742       178.3702 1375.402       135.8902 205.9244 14.86958 215.6731 10.77755 -9.748749      18.36464 
1 1 1 -2  23 23 o 93.11622 16.24475 264.8272       85.48864 58.12709       166.5407 338.7779       99.61419 66.47707 27.10032 105.5221 16.64763 -39.04501      31.80520 
1 1 1 -2  23 24 o 303.1180 7.980064 2705.007       141.7394 2825.318       218.3806 2617.433       186.3159 309.0089 12.07339 297.6974 10.68883 11.31152       16.12506 
1 1 1 -2  23 25 o 100.2399 23.17731 314.8060       133.5341 448.8409       154.5814 -79.32275      265.0741 120.2023 22.76090 70.67538 31.51837 49.52689       38.87758 
1 1 1 -2  23 26 o 102.6725 22.61720 330.1936       132.5047 416.0277       152.9682 72.21806       265.1920 115.3199 23.41796 80.94465 33.71446 34.37526       41.04955 
1 1 1 -2  23 27 o 180.8695 9.357685 967.2450       98.92480 894.7927       163.2856 1009.259       124.3419 172.4733 16.33744 184.3748 11.55727 -11.90147      20.01206 
1 1 1 -2  23 28 o 226.5925 11.76638 1524.731       155.8291 1409.082       183.8492 1819.786       293.6581 217.0863 14.52394 244.5543 20.66796 -27.46797      25.26082 
1 1 1 -2  23 29 o 212.6216 7.756176 1333.733       96.55553 1315.375       102.2504 1484.899       293.4170 211.0627 8.276480 219.3579 23.15678 -8.295181      24.59139 
1 1 1 -2  23 30 o 299.5124 7.114267 2641.921       124.9670 2648.556       135.6972 2604.874       320.6432 299.6747 7.727390 293.1413 18.74895 6.533356       20.27895 
1 1 1 -2  23 31 o 214.0387 9.862100 1358.288       123.4648 1367.233       135.2265 1313.473       302.6775 214.5149 10.78323 204.1000 25.86644 10.41484       28.02411 
1 1 1 -2  23 32 o 156.2814 10.36399 727.3381       94.45490 685.0812       98.95408 1160.586       316.8495 151.4523 11.22026 188.8184 29.58349 -37.36618      31.63980 
1 1 1 -2  23 33 f 133.7641 11.32147 536.5290       87.98308 547.5793       92.23640 424.9349       293.1138 135.0265 11.76486 111.2782 37.71201 23.74828       39.50452 
1 1 1 -2  23 34 o 45.10155 18.70123 21.88220       81.07640 18.16622       84.43481 65.82628       290.3589 45.34258 18.96504 79.10574 34.18732 -33.76316      39.09533 
1 1 1 -2  23 35 o 38.86752 17.56596 -37.42814      85.42936 -32.64753      88.71621 -98.38252      316.7844 40.19120 18.05529 71.49612 32.88610 -31.30493      37.51652 
1 1 1 -2  23 36 o 72.79789 20.15233 172.8966       88.96823 171.6256       93.29401 185.6560       295.6027 72.49348 20.83745 85.64494 35.62738 -13.15146      41.27359 
1 1 1 -2  23 37 o 55.01108 20.76420 78.19713       91.48637 89.32496       95.90412 -34.30845      304.9432 57.38185 21.34163 72.02041 32.80063 -14.63856      39.13242 
1 1 1 -2  23 38 o 146.3792 11.85956 652.4563       100.9407 663.3865       106.8132 561.1744       308.6762 147.3186 12.48012 116.3152 38.69340 31.00340       40.65627 
1 1 1 -2  23 39 o 115.1734 14.69450 415.8146       96.99866 409.1440       101.7249 482.6386       321.9666 113.7490 15.66402 106.1431 39.17202 7.605919       42.18777 
1 1 1 -2  23 40 o 160.8300 10.92519 786.5367       102.4379 768.1869       108.0184 950.4907       322.8805 158.5222 11.70116 152.2013 36.61907 6.320953       38.44312 
1 1 1 -2  23 41 o 63.92430 21.99708 133.6432       99.79951 82.19595       104.7207 642.7535       329.4256 56.17592 21.95141 117.0773 39.97492 -60.90138      45.60547 
1 1 1 -2  23 42 o 51.32005 21.41796 44.82214       107.3364 91.75399       114.0243 -320.4109      318.0889 58.21481 22.85908 58.29327 28.44861 -0.7845306E-01 36.49467 
1 1 1 -2  23 43 o 116.2460 17.18391 441.7298       113.6264 453.3045       120.1500 343.7413       349.5883 117.1755 18.06357 89.42240 38.05397 27.75308       42.12359 
1 1 1 -2  23 44 o 162.0836 17.99427 866.1769       168.1712 893.4933       186.8302 749.5476       386.0467 162.5938 20.01450 115.1722 42.82148 47.42156       47.26796 
1 1 1 -2  23 45 o 52.67740 22.84154 31.85519       130.4841 64.40033       137.9530 -244.5213      402.0116 56.87798 24.04169 65.61515 32.01315 -8.737175      40.03555 
1 1 1 -2  24 1  o 558.1938 10.68606 9164.427       349.8267 9357.343       487.7146 8959.998       502.0565 563.0711 14.78182 550.7864 15.55801 12.28473       21.46052 
1 1 1 -2  24 2  o 530.7272 10.21777 8282.797       318.0371 7682.013       397.3629 9353.603       530.4976 510.4554 13.28459 562.6046 16.09445 -52.14920      20.86892 
1 1 1 -2  24 3  o 144.3734 11.37655 617.1307       95.54925 617.1307       95.54925 0.000000       0.000000 144.3734 11.37655 ?        ?        0.000000       11.37655 
1 1 1 -2  24 4  o 356.6378 8.525107 3737.262       178.3108 3772.798       232.8584 3686.886       277.2500 357.9069 11.10702 353.4516 13.39918 4.455292       17.40413 
1 1 1 -2  24 5  o 449.8263 9.291706 5948.157       245.1268 6389.387       354.2375 5542.753       339.5520 465.4862 12.98859 433.4515 13.37319 32.03470       18.64258 
1 1 1 -2  24 6  o 348.1991 8.377512 3562.683       171.0776 3562.683       171.0776 0.000000       0.000000 348.1991 8.377512 ?        ?        0.000000       8.377512 
1 1 1 -2  24 7  o 378.5381 7.238481 4208.613       160.6969 4357.475       195.9292 3902.668       280.8859 385.0392 8.676481 363.6057 13.19379 21.43353       15.79105 
1 1 1 -2  24 8  o 349.9447 8.423262 3599.234       172.8742 3599.234       172.8742 0.000000       0.000000 349.9447 8.423262 ?        ?        0.000000       8.423262 
1 1 1 -2  24 9  o 98.03671 15.16401 290.5284       84.37582 275.7793       96.37939 338.9236       174.5828 94.94470 17.96647 104.3384 27.96415 -9.393654      33.23835 
1 1 1 -2  24 10 o 368.5118 6.815765 3988.754       147.3047 4154.134       193.6797 3761.820       226.8775 375.8696 8.786104 357.2646 10.84061 18.60501       13.95401 
1 1 1 -2  24 11 o 295.0317 6.739963 2556.760       116.6210 2712.346       153.4428 2343.969       179.4475 303.5913 8.626753 281.9007 10.87442 21.69061       13.88070 
1 1 1 -2  24 12 f 146.0328 13.23739 634.6523       112.1411 634.6523       112.1411 0.000000       0.000000 146.0328 13.23739 ?        ?        0.000000       13.23739 
1 1 1 -2  24 13 o 176.5115 9.856229 920.0697       101.6263 985.5988       117.4105 724.3167       202.9290 182.5532 11.01775 153.8792 23.20710 28.67403       25.68970 
1 1 1 -2  24 14 o 127.4237 15.09819 487.2819       110.6403 588.2670       133.5379 266.1830       197.5919 139.8685 16.60275 94.66016 30.93394 45.20834       35.10783 
1 1 1 -2  24 15 o 174.1391 11.45097 898.3284       116.2981 940.2986       141.9185 812.5228       202.9207 177.7949 13.71632 163.3791 21.71491 14.41577       25.68414 
1 1 1 -2  24 16 o 362.8907 7.743809 3872.720       164.8090 3853.418       249.3246 3887.699       219.6379 361.1172 11.78823 363.0436 10.32618 -1.926361      15.67138 
1 1 1 -2  24 17 o 125.1003 15.98753 471.9305       114.6208 415.1829       139.8705 587.9541       199.9979 115.9728 21.35106 137.3252 25.77926 -21.35237      33.47295 
1 1 1 -2  24 18 o 354.5126 7.787528 3696.777       161.9130 3841.252       253.2495 3596.893       210.5714 360.4174 11.99770 349.1398 10.29494 11.27756       15.80920 
1 1 1 -2  24 19 o 344.9909 7.653560 3500.590       154.8537 3687.789       248.3064 3381.444       198.0957 353.1226 12.00726 338.5674 9.987444 14.55515       15.61805 
1 1 1 -2  24 20 o 243.6946 8.068914 1749.151       115.1628 1827.595       184.2977 1698.899       147.5074 248.3105 12.69751 239.7948 10.51430 8.515640       16.48567 
1 1 1 -2  24 21 o 166.6239 14.11574 828.0499       136.6436 959.6699       169.9971 587.7630       229.6919 178.9755 16.37692 136.1692 29.60765 42.80637       33.83513 
1 1 1 -2  24 22 o 228.9596 12.15935 1552.988       162.6896 1620.581       201.1334 1425.077       276.6848 233.3481 14.77286 216.7579 22.07268 16.59016       26.56013 
1 1 1 -2  24 23 o 277.5409 8.437407 2269.232       137.1772 2550.018       233.0254 2120.325       169.6967 293.1776 13.58955 267.8689 10.82420 25.30875       17.37352 
1 1 1 -2  24 24 o 337.1846 10.74643 3358.474       212.2402 0.000000       0.000000 3358.474       212.2402 ?        ?        337.1846 10.74643 0.000000       10.74643 
1 1 1 -2  24 25 o 374.0768 8.411000 4120.786       184.5266 4258.978       289.3581 4026.067       239.5589 378.9592 13.03887 369.0172 11.08173 9.942017       17.11189 
1 1 1 -2  24 26 o 132.7744 11.31097 524.9300       87.23965 342.1592       169.2978 591.0089       101.7956 103.6474 27.42848 140.7230 12.46300 -37.07558      30.12720 
1 1 1 -2  24 27 o 208.5805 9.079789 1285.830       110.8047 1053.217       182.3415 1422.017       139.5201 186.8876 16.81584 218.9998 10.89705 -32.11214      20.03792 
1 1 1 -2  24 28 o 301.3102 8.623875 2680.112       152.2369 2528.951       194.4893 2919.245       244.6225 291.9585 11.38038 313.0378 13.35514 -21.07925      17.54630 
1 1 1 -2  24 29 o 46.82415 18.39842 40.16673       73.90730 25.90053       76.55585 235.7098       283.4297 45.13486 18.38370 95.08778 36.39218 -49.95291      40.77194 
1 1 1 -2  24 30 o 63.61026 19.45802 123.6031       79.34554 138.2310       82.61182 -50.48536      284.9948 66.84387 19.72278 73.64193 32.77131 -6.798058      38.24849 
1 1 1 -2  24 31 o 326.9180 7.168372 3150.729       137.4389 3160.177       149.2542 3098.042       352.4565 327.2540 7.776626 318.6488 18.94557 8.605164       20.47952 
1 1 1 -2  24 32 o 100.6427 14.26393 309.7874       81.83614 301.2227       85.04860 416.7786       300.5971 98.96696 15.13301 110.7512 38.17361 -11.78428      41.06376 
1 1 1 -2  24 33 o 80.03021 17.24200 202.6597       78.53597 218.4433       81.46143 -5.327116      295.7105 83.14514 17.27079 75.35950 33.46762 7.785645       37.66115 
1 1 1 -2  24 34 o 234.7632 7.691557 1633.905       105.7568 1630.814       113.2229 1655.051       296.1374 234.3492 8.250843 227.2637 22.51398 7.085510       23.97824 
1 1 1 -2  24 35 o 136.2392 11.67939 561.9371       92.42010 646.4717       97.65798 -163.2998      286.0425 146.2681 11.47617 64.47213 30.19320 81.79598       32.30064 
1 1 1 -2  24 36 o 40.47696 18.16235 -29.49104      89.48035 -16.83710      93.67656 -161.3168      302.3557 42.79118 18.92883 65.86599 30.90863 -23.07481      36.24422 
1 1 1 -2  24 37 o 68.43937 21.28475 153.3422       94.47456 155.3105       99.29595 134.5382       306.9138 68.90467 21.87622 81.08196 35.09493 -12.17729      41.35485 
1 1 1 -2  24 38 o 137.1283 12.77888 578.3075       101.5879 612.4142       106.8876 259.7280       326.6756 140.9926 13.07546 88.87105 37.24654 52.12151       39.47496 
1 1 1 -2  24 39 o 169.0431 10.27326 864.5560       101.3680 849.6682       107.0959 992.6737       314.1678 167.2113 10.98164 158.6234 34.73540 8.587906       36.43000 
1 1 1 -2  24 40 o 35.33672 16.79226 -98.39825      94.58736 -73.24893      98.48067 -397.7370      339.7578 38.13448 17.81231 58.91762 28.88949 -20.78315      33.93937 
1 1 1 -2  24 41 o 74.04879 26.23094 192.5306       142.5109 259.9343       154.5070 -191.6712      368.8807 83.61917 27.35600 66.93527 32.17121 16.68390       42.22958 
1 1 1 -2  24 42 o 68.41808 22.97320 161.5094       108.7737 148.7960       114.4634 279.9370       349.3509 66.45812 23.51158 85.78172 37.28392 -19.32359      44.07817 
1 1 1 -2  24 43 o 124.1938 16.69601 502.5423       118.5305 473.2028       124.9180 767.6249       375.4817 119.1912 18.46714 118.4951 42.51223 0.6960602      46.35003 
1 1 1 -2  24 44 o 131.3586 17.42425 568.1288       130.9267 543.9298       138.8606 761.9254       392.9644 127.0437 19.23845 114.7776 43.09655 12.26602       47.19566 
1 1 1 -2  25 1  f 164.1790 9.735315 795.5682       93.31770 711.9537       101.7536 1238.039       234.0731 155.0999 11.26308 203.2607 19.89005 -48.16081      22.85763 
1 1 1 -2  25 2  o 559.6516 10.73949 9218.665       352.4943 9379.018       489.4622 9045.894       508.0623 563.3626 14.82717 553.0075 15.68101 10.35510       21.58099 
1 1 1 -2  25 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  25 4  o 178.2082 10.96478 938.4874       114.0434 1029.749       136.8919 731.4705       206.1757 186.4847 12.59033 154.8891 23.42804 31.59561       26.59679 
1 1 1 -2  25 5  o 690.6649 12.49254 14062.45       506.0209 14771.28       747.6942 13463.42       687.3513 705.5909 18.08334 673.8996 17.40591 31.69128       25.09926 
1 1 1 -2  25 6  o 560.0061 10.50319 9231.771       344.9568 9231.771       344.9568 0.000000       0.000000 560.0061 10.50319 ?        ?        0.000000       10.50319 
1 1 1 -2  25 7  o 185.7120 8.692374 1016.311       94.41093 1011.799       107.0958 1032.047       199.9895 185.1642 9.897964 185.5458 18.63014 -0.3816223     21.09625 
1 1 1 -2  25 8  o 388.6807 7.284147 4438.813       166.0436 4582.563       201.6678 4136.260       292.5719 394.7563 8.710780 374.0936 13.35670 20.66263       15.94613 
1 1 1 -2  25 9  o 227.4092 7.843400 1521.878       104.4510 1569.888       121.6107 1386.851       203.9459 230.8444 8.999843 215.7858 16.23446 15.05859       18.56219 
1 1 1 -2  25 10 o 461.3780 7.282176 6255.439       197.0464 6680.337       271.8459 5785.059       286.0259 476.3928 9.729871 443.0881 11.00689 33.30475       14.69089 
1 1 1 -2  25 11 o 104.8064 26.60186 344.1273       163.7663 447.9751       210.3112 184.1668       261.0179 119.1100 30.09902 90.92996 34.89277 28.18007       46.08097 
1 1 1 -2  25 12 o 164.8044 9.694396 802.4432       93.28627 810.3239       115.3953 787.5788       158.4817 165.2908 11.98531 162.0271 16.92731 3.263657       20.74082 
1 1 1 -2  25 13 f 271.6653 9.243488 2175.135       147.0576 2350.728       189.8250 1911.570       232.5654 282.0474 11.49986 253.4134 15.72571 28.63403       19.48191 
1 1 1 -2  25 14 o 296.0210 7.740572 2578.716       134.2683 2785.490       162.0122 2125.224       239.9305 307.4808 8.993862 267.2766 15.37126 40.20419       17.80914 
1 1 1 -2  25 15 o 343.3843 9.078231 3474.073       182.6632 3578.600       241.0624 3333.133       279.9207 347.9449 11.83043 335.1734 14.27283 12.77142       18.53842 
1 1 1 -2  25 16 o 200.8321 9.232649 1190.326       108.4542 1079.060       156.4931 1293.151       150.4407 190.3606 14.11790 208.8363 12.33811 -18.47571      18.74951 
1 1 1 -2  25 17 o 233.2816 10.28046 1607.516       140.3058 1621.608       174.5929 1581.822       235.7498 233.8424 12.77929 229.7911 17.62773 4.051315       21.77263 
1 1 1 -2  25 18 o 177.0259 10.01010 926.5862       103.5030 1016.322       161.8742 864.5270       134.6168 184.4976 15.09193 170.3726 13.58496 14.12506       20.30560 
1 1 1 -2  25 19 o 234.2183 11.40852 1623.100       156.2401 0.000000       0.000000 1623.100       156.2401 ?        ?        234.2183 11.40852 0.000000       11.40852 
1 1 1 -2  25 20 o 47.61100 19.73194 18.99225       90.19708 -96.66018      162.5591 70.43536       108.4170 52.42944 23.90533 58.44859 22.47270 -6.019150      32.80986 
1 1 1 -2  25 21 o 343.9875 10.24048 3491.433       206.3620 3536.844       268.0373 3425.339       323.3681 345.5005 13.25263 339.1043 16.30753 6.396240       21.01352 
1 1 1 -2  25 22 o 42.00714 18.12816 -7.226449      81.41027 -385.6052      167.8955 109.0819       93.08530 39.21117 19.42850 62.47653 21.25115 -23.26536      28.79371 
1 1 1 -2  25 23 o 270.4643 8.307810 2155.392       131.6230 2412.604       223.2410 2018.331       162.9613 285.0979 13.38888 261.3073 10.65600 23.79059       17.11176 
1 1 1 -2  25 24 o 122.6363 12.34143 449.4789       87.55788 385.4404       178.6262 469.7317       100.4537 110.0186 27.70469 125.0822 13.92973 -15.06355      31.00946 
1 1 1 -2  25 25 o 55.71510 23.96702 -2.771748      141.4221 45.26526       165.9437 -130.2412      270.3186 64.69982 26.78464 68.05534 30.95101 -3.355515      40.93143 
1 1 1 -2  25 26 f 293.4854 8.477950 2541.313       145.7715 2864.640       238.4104 2348.269       184.2182 310.3092 13.12994 281.4672 11.18200 28.84201       17.24623 
1 1 1 -2  25 27 o 275.1515 8.410195 2234.662       135.5559 2354.432       216.6452 2157.602       173.7762 281.1151 13.17725 269.7315 11.00833 11.38367       17.17042 
1 1 1 -2  25 28 o 251.6021 11.43166 1880.780       168.2433 1973.580       200.8557 1662.556       308.0062 257.1400 13.36463 231.9714 22.93995 25.16862       26.54910 
1 1 1 -2  25 29 o 166.8056 8.753403 823.8859       85.33270 817.6595       89.40676 887.5714       285.9407 166.0854 9.214972 164.9043 30.69535 1.181137       32.04872 
1 1 1 -2  25 30 o 168.2639 9.191178 839.9354       90.35670 851.5419       95.05951 731.2634       290.8730 169.3350 9.611370 146.6817 34.41003 22.65323       35.72714 
1 1 1 -2  25 31 o 113.9311 12.63212 392.2745       82.98853 426.1961       87.03415 52.63375       275.3984 118.7936 12.68865 77.98156 33.49397 40.81204       35.81686 
1 1 1 -2  25 32 o 141.2210 10.21425 596.4428       84.02563 622.7675       88.34810 346.9922       271.9617 144.2359 10.51641 101.5799 36.21043 42.65602       37.70663 
1 1 1 -2  25 33 o 156.5953 9.973804 733.7291       91.12280 723.3543       95.75941 833.1467       296.4312 155.2872 10.57781 152.4944 34.01136 2.792892       35.61829 
1 1 1 -2  25 34 o 170.4464 9.304334 868.0032       92.65597 805.2576       96.96593 1527.128       314.2761 163.8657 10.13942 214.7430 25.44817 -50.87729      27.39375 
1 1 1 -2  25 35 o 202.8770 8.656062 1227.367       102.7554 1241.267       108.8504 1113.576       311.4454 203.8351 9.128592 177.0232 31.13478 26.81195       32.44543 
1 1 1 -2  25 36 o 154.3043 11.08664 720.5117       99.66072 747.9299       104.6959 455.8528       325.2765 157.0690 11.44402 106.4442 39.35682 50.62479       40.98689 
1 1 1 -2  25 37 o 229.0789 8.984983 1571.778       120.4786 1549.523       129.2261 1719.664       333.1223 227.0405 9.727567 223.6109 25.87866 3.429596       27.64653 
1 1 1 -2  25 38 o 31.22379 15.30234 -169.4561      94.94996 -164.0077      100.1361 -218.0061      298.9159 32.77533 15.98788 61.35305 29.34768 -28.57773      33.42003 
1 1 1 -2  25 39 o 112.8527 15.04776 402.9148       97.11446 400.3920       101.9865 427.4433       318.0045 111.9894 15.98073 99.33900 38.41021 12.65043       41.60202 
1 1 1 -2  25 40 o 77.93983 21.35670 210.2238       100.4966 242.8224       104.9768 -147.4181      347.7110 83.80043 21.31364 66.96725 31.92823 16.83318       38.38858 
1 1 1 -2  25 41 o 194.1069 9.841462 1142.585       111.6687 1132.483       117.3645 1239.154       362.8640 192.8649 10.41471 168.9937 37.58344 23.87119       38.99975 
1 1 1 -2  25 42 o 50.92567 22.81600 -7.835800      140.6225 -127.8005      149.4998 913.2491       414.2513 44.26109 21.05543 126.7373 44.73800 -82.47623      49.44512 
1 1 1 -2  25 43 o 45.79627 20.70847 -23.98365      118.9175 -15.16940      123.9702 -125.5502      420.8234 47.42939 21.32212 70.27814 33.92447 -22.84875      40.06872 
1 1 1 -2  25 44 o 95.58998 23.66328 334.5427       131.9439 391.5813       139.0224 -183.1725      418.8376 103.9447 23.37397 67.92671 33.03663 36.01798       40.46926 
1 1 1 -2  26 1  o 436.1616 9.532185 5597.418       243.8318 5418.516       307.0273 5902.959       401.2400 428.4952 12.22996 446.4499 15.34713 -17.95471      19.62412 
1 1 1 -2  26 2  o 572.9427 10.92794 9669.146       367.1978 9170.483       469.1431 10457.74       589.9705 556.8839 14.37651 593.7493 16.95984 -36.86548      22.23332 
1 1 1 -2  26 3  o 256.4751 8.746305 1936.735       131.3665 1936.735       131.3665 0.000000       0.000000 256.4751 8.746305 ?        ?        0.000000       8.746305 
1 1 1 -2  26 4  o 311.4827 8.818722 2855.815       160.9358 3164.255       212.8346 2443.989       245.9313 327.5326 11.09596 287.1475 14.65198 40.38504       18.37936 
1 1 1 -2  26 5  o 325.1390 8.697702 3111.366       165.7043 3084.593       207.8672 3158.039       274.4528 323.3854 10.97602 326.5442 14.36612 -3.158752      18.07923 
1 1 1 -2  26 6  o 446.9834 7.684219 5872.582       201.4381 6246.940       252.6138 5218.845       333.8214 460.7493 9.348497 420.1087 13.56663 40.64063       16.47567 
1 1 1 -2  26 7  o 318.0145 7.124164 2971.796       132.8713 3115.755       160.2889 2655.593       237.5571 325.3856 8.406561 299.5045 13.55944 25.88107       15.95396 
1 1 1 -2  26 8  o 205.8187 8.055637 1247.487       97.05007 1267.005       111.9493 1188.451       194.6987 207.2883 9.231814 199.4526 16.80063 7.835632       19.16997 
1 1 1 -2  26 9  o 302.5374 7.113131 2689.899       126.2090 2857.054       151.9974 2318.785       226.4804 311.5587 8.325977 279.7013 13.84964 31.85745       16.15966 
1 1 1 -2  26 10 o 145.6523 19.49519 643.4060       162.3530 590.0997       183.4614 835.8926       348.6228 138.3746 23.44280 160.7982 37.63723 -22.42351      44.34101 
1 1 1 -2  26 11 o 178.0602 9.191799 935.8876       95.66330 1088.845       117.2466 631.2737       165.4585 191.9209 10.45613 144.0424 20.13550 47.87848       22.68852 
1 1 1 -2  26 12 o 102.3890 18.04227 321.0486       104.3847 348.1773       125.6324 260.5659       187.5871 106.0902 20.93557 93.14245 30.11901 12.94772       36.68041 
1 1 1 -2  26 13 f 336.5444 9.012742 3337.001       177.7292 3624.265       243.2658 3008.120       260.2911 350.1450 11.86343 318.4523 13.97084 31.69275       18.32827 
1 1 1 -2  26 14 o 261.5875 7.521683 2014.003       115.2740 2005.855       146.3455 2027.321       187.1089 260.7574 9.585881 261.6628 12.22656 -0.9053955     15.53634 
1 1 1 -2  26 15 o 545.8627 9.260169 8775.953       296.4510 8470.850       325.5414 10257.85       717.4498 535.9959 10.35605 584.5461 20.96167 -48.55023      23.38032 
1 1 1 -2  26 16 o 257.2650 10.61351 1955.325       159.7926 2141.167       199.5429 1623.110       266.7922 268.8130 12.69298 232.1501 19.78370 36.66295       23.50546 
1 1 1 -2  26 17 o 272.0539 8.780332 2181.166       139.9095 2232.882       208.3013 2138.658       188.8496 274.4645 12.97738 268.8063 12.00948 5.658173       17.68163 
1 1 1 -2  26 18 o 224.4888 9.532813 1487.241       125.2208 1330.884       184.5278 1620.702       170.4828 211.3241 14.98611 233.8458 12.47599 -22.52171      19.49959 
1 1 1 -2  26 19 o 251.5954 9.211628 1866.664       135.6925 1817.788       206.8417 1903.590       179.7865 247.2922 14.32318 253.5587 12.12519 -6.266464      18.76629 
1 1 1 -2  26 20 o 180.3845 10.91191 963.4994       114.8986 1101.960       198.1602 893.3726       141.0249 191.4853 17.85101 173.1149 14.00987 18.37039       22.69218 
1 1 1 -2  26 21 o 132.6747 12.93517 525.6467       99.37264 559.2889       185.7408 512.1556       117.6220 134.0226 24.53467 130.3885 15.69686 3.634140       29.12630 
1 1 1 -2  26 22 o 230.8473 9.038361 1572.473       122.1307 1564.870       202.7301 1576.804       153.0131 228.9970 15.18086 230.7543 11.34125 -1.757263      18.94947 
1 1 1 -2  26 23 o 174.5670 10.23680 902.4842       104.3439 777.9318       188.5491 957.4684       125.2759 159.5538 20.63218 179.5072 11.96803 -19.95341      23.85206 
1 1 1 -2  26 24 o 124.7152 21.87291 483.3876       154.1534 529.8807       187.9774 387.9153       269.3705 129.5170 25.65494 110.7666 36.11301 18.75036       44.29815 
1 1 1 -2  26 25 o 182.0837 9.652669 981.7440       102.7105 775.6911       181.9136 1078.170       124.4437 159.1512 19.92512 190.5319 11.18586 -31.38075      22.85025 
1 1 1 -2  26 26 o 159.2223 16.26898 766.6873       149.7870 916.9417       178.9205 414.6632       273.8626 173.7740 17.80757 112.9422 36.38069 60.83185       40.50511 
1 1 1 -2  26 27 o 186.7848 14.48929 1047.475       157.4823 1193.374       182.5036 622.1243       311.6148 199.0275 15.76402 135.1783 37.82559 63.84918       40.97901 
1 1 1 -2  26 28 o 180.0087 14.87008 975.9168       155.5856 995.5099       178.7909 914.7919       315.7937 181.0851 17.03506 165.8054 33.62710 15.27975       37.69582 
1 1 1 -2  26 29 o 175.0783 8.887855 908.5339       90.96130 876.9967       94.60587 1294.356       330.9030 171.8913 9.420569 199.9364 29.07118 -28.04510      30.55946 
1 1 1 -2  26 30 o 68.69735 18.49464 148.9404       76.15540 161.5468       78.62488 -42.33923      306.2667 71.45248 18.58838 75.50188 33.76046 -4.049400      38.53954 
1 1 1 -2  26 31 o 194.2553 8.031018 1118.526       91.29699 1116.446       95.66242 1139.775       305.7106 193.9688 8.429406 184.8571 29.16412 9.111694       30.35787 
1 1 1 -2  26 32 o 167.4519 9.031681 835.6146       88.36880 838.8985       92.64145 802.4562       294.3773 167.6517 9.460464 149.3715 34.32489 18.28026       35.60476 
1 1 1 -2  26 33 o 150.9272 9.896362 682.7458       87.11463 678.8455       91.11889 724.2195       297.1282 150.3250 10.39948 138.7831 36.15087 11.54198       37.61694 
1 1 1 -2  26 34 o 40.61850 18.02709 -19.49178      85.65545 -16.88195      89.20139 -50.37391      306.8452 41.76167 18.47240 71.63140 32.73035 -29.86973      37.58331 
1 1 1 -2  26 35 o 265.7504 7.975633 2101.501       124.1646 2115.049       132.9040 2008.535       348.1543 266.3339 8.519619 245.3588 24.52286 20.97508       25.96064 
1 1 1 -2  26 36 o 61.83189 21.83726 117.2854       98.70724 83.50590       104.3188 406.1664       305.0672 57.05225 22.01553 100.6344 37.93199 -43.58217      43.85794 
1 1 1 -2  26 37 o 175.0628 10.81779 929.4081       110.5239 975.3788       115.9068 468.6803       366.9362 179.2095 11.08223 103.4448 40.88744 75.76466       42.36271 
1 1 1 -2  26 38 o 130.2602 13.43316 527.3684       101.1520 521.2950       105.9119 590.4185       341.2477 129.0663 14.22784 112.7557 40.51876 16.31063       42.94416 
1 1 1 -2  26 39 o 98.82955 18.00703 321.5940       100.5267 370.1326       105.1515 -194.0787      342.7354 106.5261 17.43343 65.06228 31.20268 41.46385       35.74258 
1 1 1 -2  26 40 o 53.90226 21.21534 74.19798       98.41563 87.21863       102.4505 -81.40668      354.1679 56.27331 21.78988 69.18685 32.76569 -12.91354      39.34958 
1 1 1 -2  26 41 o 99.44852 18.90481 332.2907       106.2317 309.9249       109.8063 659.1231       419.7573 95.04743 20.31477 107.7787 43.35330 -12.73131      47.87691 
1 1 1 -2  26 42 o 184.1501 11.73325 1047.280       126.0596 1064.183       131.4881 855.1620       443.2976 185.2856 12.16758 117.0525 45.32544 68.23312       46.93022 
1 1 1 -2  26 43 o 117.0769 19.80428 467.3173       131.1379 443.7634       136.6546 741.4987       466.2426 112.6914 21.46033 106.8324 44.61605 5.858963       49.50896 
1 1 1 -2  27 1  o 188.5903 9.879995 1050.085       108.8953 1050.085       108.8953 0.000000       0.000000 188.5903 9.879995 ?        ?        0.000000       9.879995 
1 1 1 -2  27 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  27 3  o 597.4890 16.61118 10600.50       581.5129 0.000000       0.000000 10600.50       581.5129 ?        ?        597.4890 16.61118 0.000000       16.61118 
1 1 1 -2  27 4  o 358.1460 12.62381 3792.081       264.7411 3792.081       264.7411 0.000000       0.000000 358.1460 12.62381 ?        ?        0.000000       12.62381 
1 1 1 -2  27 5  o 235.7893 9.810539 1640.079       135.3685 1574.038       164.5408 1778.400       238.1283 230.6045 12.20972 244.1995 16.72811 -13.59503      20.71007 
1 1 1 -2  27 6  o 211.3797 8.396192 1316.482       103.8798 1378.156       117.2719 1091.769       223.8493 216.1710 9.271646 190.1386 20.39226 26.03241       22.40107 
1 1 1 -2  27 7  o 42.21601 18.37519 -13.89645      85.11304 -12.11740      95.65060 -20.66240      186.5341 45.10268 19.55676 62.67938 27.24334 -17.57669      33.53605 
1 1 1 -2  27 8  f 145.6508 11.13288 629.3374       94.37717 713.6512       108.7343 371.8064       190.0344 155.0083 12.05555 108.5401 29.21290 46.46815       31.60269 
1 1 1 -2  27 9  o 326.6760 9.376133 3145.294       179.4494 3180.029       243.6458 3104.114       265.2935 327.7867 12.69812 323.5185 14.01550 4.268188       18.91233 
1 1 1 -2  27 10 o 221.2666 8.178208 1442.353       105.9441 1450.497       120.9676 1415.539       219.4987 221.7378 9.322852 217.4379 17.35658 4.299927       19.70193 
1 1 1 -2  27 11 o 303.7422 7.028062 2712.142       125.1962 2712.022       154.1299 2712.374       214.6449 303.4164 8.670480 302.7779 12.11220 0.6384583      14.89573 
1 1 1 -2  27 12 o 62.06104 20.86121 108.7943       89.69160 -16.44951      107.7437 391.4825       161.8704 47.46858 20.66768 111.6283 25.31066 -64.15971      32.67694 
1 1 1 -2  27 13 o 241.9609 8.362282 1724.982       118.4861 1825.055       138.9801 1458.721       226.6972 248.7118 9.545808 220.5975 17.67010 28.11421       20.08370 
1 1 1 -2  27 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  27 15 o 50.34412 22.25146 -35.97496      129.1911 -26.66250      153.2660 -58.83165      240.1154 56.06037 24.52452 68.39403 30.27732 -12.33366      38.96368 
1 1 1 -2  27 16 o 34.73635 17.29262 -348.9606      139.2875 -264.2962      163.9850 -568.2604      263.9204 43.23236 20.94329 49.93032 24.67051 -6.697960      32.36132 
1 1 1 -2  27 17 o 292.1688 9.009031 2515.840       154.1854 2387.759       177.8359 2903.603       309.4278 284.3339 10.68350 311.9539 16.97689 -27.62009      20.05871 
1 1 1 -2  27 18 o 314.6223 8.795508 2916.520       162.1342 2931.021       241.5302 2904.626       218.7442 314.4929 13.12398 313.3578 11.92446 1.135101       17.73222 
1 1 1 -2  27 19 o 204.2687 10.41017 1233.746       124.3013 1364.856       195.2581 1144.407       161.1803 213.7951 15.68169 196.0237 14.11466 17.77144       21.09831 
1 1 1 -2  27 20 o 252.1191 10.17827 1877.780       150.1885 2122.571       217.3274 1654.001       207.7905 267.2432 13.91412 235.5226 15.12320 31.72061       20.55028 
1 1 1 -2  27 21 o 217.7023 9.700753 1400.398       123.5455 1246.568       198.0758 1498.351       158.0590 203.8190 16.71730 224.7516 12.03518 -20.93260      20.59888 
1 1 1 -2  27 22 o 44.36119 19.03669 -2.786495      88.81521 -182.7599      180.5039 54.70453       102.0193 50.37170 23.71394 54.87038 21.59908 -4.498680      32.07602 
1 1 1 -2  27 23 o 150.6661 11.24295 675.2910       98.62885 573.7079       189.9269 712.8002       115.4104 135.0306 24.90018 154.4861 12.85447 -19.45552      28.02243 
1 1 1 -2  27 24 o 124.3917 12.68563 463.9393       91.25132 365.6180       185.7172 495.2305       104.7704 106.4364 28.97851 128.2227 14.16834 -21.78630      32.25673 
1 1 1 -2  27 25 o 178.9081 9.723701 948.6546       101.6428 1018.024       183.9508 918.1664       121.9504 183.3126 17.31554 175.5330 11.91672 7.779602       21.01990 
1 1 1 -2  27 26 o 262.7334 8.594521 2039.431       132.2522 2019.742       206.7358 2053.069       172.0663 260.0049 13.60496 262.9333 11.18389 -2.928345      17.61177 
1 1 1 -2  27 27 o 90.25827 16.10500 251.5933       82.12312 214.7011       170.4982 262.7379       93.70987 84.35143 28.75960 91.77222 18.05443 -7.420792      33.95699 
1 1 1 -2  27 28 o 269.0246 8.696785 2141.511       137.0346 2378.751       224.9298 2001.482       172.8071 281.7292 13.65399 259.2344 11.39411 22.49475       17.78363 
1 1 1 -2  27 29 o 38.50340 18.87882 -270.1735      145.0423 -216.6001      161.1216 -499.1105      333.0714 44.16478 21.23598 59.97772 29.23545 -15.81294      36.13416 
1 1 1 -2  27 30 o 69.60905 17.79045 154.0378       72.89236 175.6618       75.40668 -154.0992      284.6515 74.35995 17.57148 66.15047 30.68988 8.209473       35.36419 
1 1 1 -2  27 31 o 241.3083 7.456081 1724.831       105.3931 1720.834       112.1819 1754.888       307.6320 240.8623 7.952423 234.0365 22.69751 6.825745       24.05032 
1 1 1 -2  27 32 o 225.8081 7.788980 1513.632       102.9959 1545.085       109.4190 1269.074       305.1045 227.9964 8.196364 193.7420 27.63411 34.25446       28.82403 
1 1 1 -2  27 33 o 44.46540 18.64898 18.91739       81.98351 -13.95994      85.50955 393.0840       288.4688 41.20010 18.16096 102.4353 37.19392 -61.23524      41.39092 
1 1 1 -2  27 34 o 127.5427 13.12903 499.4133       96.80497 545.4275       101.0368 -15.62452      338.0283 133.3588 13.08670 75.48991 34.43982 57.86891       36.84241 
1 1 1 -2  27 35 o 116.8902 14.55517 426.4170       97.62489 425.7845       101.8727 433.5300       341.6384 116.4516 15.28497 102.7961 39.79434 13.65549       42.62886 
1 1 1 -2  27 36 o 31.21175 15.26439 -160.8204      92.99820 -150.8943      96.51586 -289.5948      347.6369 32.63580 15.86951 63.78918 30.80239 -31.15337      34.65009 
1 1 1 -2  27 37 o 103.1784 16.48903 342.1334       96.42043 348.6898       99.84072 251.3293       371.5595 103.9249 16.96569 87.96519 38.33891 15.95969       41.92501 
1 1 1 -2  27 38 o 76.96419 21.10253 203.8067       98.08365 181.3187       101.8511 491.0226       363.9944 72.51089 22.01875 101.8699 40.57537 -29.35906      46.16478 
1 1 1 -2  27 39 o 35.27000 16.91003 -117.8812      100.5016 -141.2274      104.8131 148.5089       354.0513 34.84747 16.84814 79.29277 35.80523 -44.44530      39.57113 
1 1 1 -2  27 40 o 129.9732 14.04652 533.0055       105.3722 560.9387       108.9205 125.1145       416.2186 133.2979 14.14855 79.92961 37.09226 53.36832       39.69908 
1 1 1 -2  27 41 o 147.1534 14.47548 687.5271       123.3108 705.2604       128.4174 477.7626       441.6673 148.7004 14.92686 94.60278 41.50189 54.09763       44.10463 
1 1 1 -2  27 42 o 67.54032 24.40535 158.3653       124.0061 181.8217       128.5356 -156.9633      471.2751 71.10845 24.93529 71.75892 34.93281 -0.6504669     42.91934 
1 1 1 -2  28 1  o 149.1327 10.72524 659.1008       93.17950 627.9005       99.20308 892.8654       271.5410 145.3883 11.73404 169.2333 28.36149 -23.84497      30.69303 
1 1 1 -2  28 2  o 230.8108 10.04993 1572.705       135.7148 1562.605       155.9782 1604.176       275.3419 229.8101 11.61057 230.6986 20.56598 -0.8884277     23.61705 
1 1 1 -2  28 3  o 63.33307 21.36847 112.8228       94.10388 112.8228       94.10388 0.000000       0.000000 63.33307 21.36847 ?        ?        0.000000       21.36847 
1 1 1 -2  28 4  o 229.9107 14.02198 1570.524       188.1693 1570.524       188.1693 0.000000       0.000000 229.9107 14.02198 ?        ?        0.000000       14.02198 
1 1 1 -2  28 5  o 375.4432 9.209257 4150.649       202.7773 4249.565       263.3157 4006.504       317.8662 379.1926 11.85496 367.3787 14.78318 11.81393       18.94947 
1 1 1 -2  28 6  o 148.3468 11.02122 652.7159       95.20169 516.9545       103.1016 1438.155       247.9897 131.4989 13.56317 218.5750 19.55189 -87.07605      23.79571 
1 1 1 -2  28 7  o 223.1761 8.346114 1467.686       109.0477 1487.182       122.5303 1393.434       239.1252 224.5205 9.325742 215.2133 19.14510 9.307205       21.29564 
1 1 1 -2  28 8  o 170.6601 10.06731 861.4054       100.3142 898.4899       113.4422 728.4214       214.8218 174.1394 11.16663 153.4860 24.70307 20.65334       27.10969 
1 1 1 -2  28 9  o 179.1476 9.763645 948.4775       102.1948 909.7010       115.1145 1092.721       222.0209 175.2088 11.26237 190.0514 20.22973 -14.84262      23.15346 
1 1 1 -2  28 10 o 247.0056 8.113232 1797.083       117.3712 1902.765       135.9518 1487.776       232.5841 254.0226 9.140512 222.7170 17.95855 31.30560       20.15089 
1 1 1 -2  28 11 o 378.9111 7.235293 4221.519       160.7844 4436.951       206.2903 3888.110       256.6327 388.1614 9.061828 362.5693 12.08587 25.59216       15.10579 
1 1 1 -2  28 12 f 257.8860 7.934912 1958.338       119.8681 1927.782       145.9945 2021.545       209.9767 255.5915 9.757485 260.9393 13.76959 -5.347748      16.87632 
1 1 1 -2  28 13 o 105.0367 17.00374 336.2874       101.1680 263.0743       121.5695 501.1872       182.4485 91.74094 22.71600 126.5619 25.46316 -34.82099      34.12314 
1 1 1 -2  28 14 o 280.2054 7.705564 2311.056       126.5083 2246.325       154.0458 2445.150       221.7165 275.9739 9.531993 287.1964 13.19870 -11.22247      16.28080 
1 1 1 -2  28 15 o 348.5920 10.27222 3585.522       209.7773 3974.487       272.4255 3018.905       328.8040 366.4397 12.69554 317.8626 17.70790 48.57703       21.78868 
1 1 1 -2  28 16 o 399.8997 11.82509 4727.357       277.0312 4910.983       363.9037 4474.254       427.2351 406.5116 15.29107 386.6296 18.89901 19.88193       24.31027 
1 1 1 -2  28 17 o 200.2637 11.45184 1187.997       133.9410 1295.811       161.8233 953.4495       238.6810 208.8299 13.28172 176.2888 23.68433 32.54114       27.15422 
1 1 1 -2  28 18 o 313.2895 8.804850 2892.771       161.6171 3044.065       243.3330 2773.347       216.1894 320.4452 12.97465 306.0670 12.06756 14.37817       17.71913 
1 1 1 -2  28 19 o 124.5397 14.50915 466.4570       103.9918 599.9854       147.7958 335.5316       146.3482 140.5242 18.37291 103.1625 24.54650 37.36174       30.66096 
1 1 1 -2  28 20 o 290.6607 8.848959 2491.870       150.6687 2625.734       231.4122 2393.367       198.5079 297.2961 13.30602 284.1733 11.93747 13.12286       17.87606 
1 1 1 -2  28 21 o 234.9148 9.661083 1631.189       132.8186 1884.874       223.1295 1491.974       165.2923 251.1229 15.22174 224.0089 12.63282 27.11409       19.78104 
1 1 1 -2  28 22 o 86.67484 19.35450 234.9085       95.89431 152.7172       191.1079 262.5669       110.8612 79.17402 29.98234 91.38047 21.11071 -12.20645      36.66883 
1 1 1 -2  28 23 o 89.79035 17.62654 250.1120       89.50613 43.17513       184.9028 313.4423       102.2894 67.07696 28.06099 100.6937 17.98102 -33.61674      33.32771 
1 1 1 -2  28 24 f 313.6277 8.709160 2905.053       160.0370 3081.671       256.2389 2792.096       204.9194 321.3887 13.62544 306.6807 11.41312 14.70807       17.77391 
1 1 1 -2  28 25 o 197.8226 13.98403 1173.110       161.1947 1314.536       189.6872 805.5407       305.8040 208.9234 15.59353 155.1859 34.49414 53.73750       37.85504 
1 1 1 -2  28 26 o 176.3068 10.09297 923.5074       103.9251 799.1670       181.2883 984.3697       126.8346 161.0397 19.59798 181.5696 11.97779 -20.52991      22.96842 
1 1 1 -2  28 27 o 83.54998 26.84704 219.6020       149.1988 279.9940       171.7086 33.49640       301.4268 92.97292 28.65829 79.97954 34.69814 12.99339       45.00288 
1 1 1 -2  28 28 o 123.5924 12.50328 461.0229       89.38355 199.3987       161.2596 577.0483       107.3898 80.78748 27.95455 138.1270 13.42584 -57.33951      31.01145 
1 1 1 -2  28 29 o 103.6653 13.60328 328.6649       80.71047 250.1268       161.1197 354.9751       93.25462 87.25205 27.88509 107.2579 15.25444 -20.00586      31.78484 
1 1 1 -2  28 30 o 206.7840 7.864216 1268.658       95.19865 1271.103       99.46465 1241.980       328.5844 206.8740 8.214414 190.1960 30.48699 16.67796       31.57425 
1 1 1 -2  28 31 o 156.2145 9.740314 730.8379       88.79294 789.1107       92.56612 59.44559       314.2007 162.3353 9.767924 79.01490 34.82178 83.32038       36.16585 
1 1 1 -2  28 32 o 108.8382 14.12039 366.5191       88.00935 377.2270       91.47270 233.0927       322.8948 110.2901 14.49210 89.96770 37.31436 20.32242       40.02977 
1 1 1 -2  28 33 o 117.9707 13.69834 429.6358       93.01469 445.5418       96.65131 230.1215       342.3064 120.0326 13.99166 89.67345 37.88586 30.35911       40.38694 
1 1 1 -2  28 34 o 93.17463 17.98642 281.6324       94.72655 293.8769       98.79232 141.9891       333.6279 95.03239 18.39049 82.39206 36.10989 12.64033       40.52326 
1 1 1 -2  28 35 o 176.6214 10.29449 942.9056       106.1726 973.0139       111.5111 650.8519       347.3013 179.2381 10.65619 119.7891 41.04132 59.44901       42.40218 
1 1 1 -2  28 36 o 159.3524 10.60194 770.9299       98.51847 784.6824       101.7740 566.2251       392.6543 160.6355 10.86697 108.5436 42.47939 52.09194       43.84734 
1 1 1 -2  28 37 o 136.4294 12.33267 574.5808       97.61240 594.2536       99.87428 154.9486       461.2696 138.7196 12.40709 85.05932 39.32426 53.66032       41.23510 
1 1 1 -2  28 38 o 45.28991 19.75701 5.256113       98.86140 22.53050       102.7142 -212.1358      364.3769 47.93714 20.51964 65.65994 31.66339 -17.72281      37.73096 
1 1 1 -2  28 39 o 66.81450 21.93159 153.1607       99.27179 161.9291       102.6582 26.79470       389.7159 68.39999 22.29344 75.00880 35.16454 -6.608803      41.63583 
1 1 1 -2  28 40 o 82.76759 21.75216 242.7766       106.9500 279.4822       110.6920 -272.7419      414.8318 89.14021 21.43727 66.17171 32.33551 22.96850       38.79616 
1 1 1 -2  28 41 o 39.76365 18.92180 -111.4923      120.9249 -71.61857      125.2051 -664.9561      466.4695 43.21059 20.15051 60.86654 30.50301 -17.65595      36.55785 
1 1 1 -2  28 42 o 64.85889 24.39787 141.6351       126.0675 127.8634       131.4703 298.9368       444.3257 63.30080 24.63572 84.43712 38.87819 -21.13632      46.02643 
1 1 1 -2  29 1  o 237.5606 8.067416 1662.293       112.2351 1634.685       121.0119 1832.168       300.1794 235.4807 8.777749 246.3745 20.97389 -10.89388      22.73660 
1 1 1 -2  29 2  o 147.9249 11.37166 649.6328       97.89760 548.5383       104.4554 1379.774       280.7180 135.5232 13.31382 212.9758 22.83037 -77.45253      26.42884 
1 1 1 -2  29 3  o 248.8382 10.28354 1828.649       149.7522 1864.980       176.3044 1734.539       283.7528 250.9817 12.01249 239.8671 20.36288 11.11459       23.64205 
1 1 1 -2  29 4  o 229.1568 10.71296 1552.267       143.5784 1377.334       166.5077 2059.461       283.5216 215.3611 13.24718 262.0818 18.56604 -46.72070      22.80758 
1 1 1 -2  29 5  o 277.2827 14.06853 2283.212       228.0345 2283.212       228.0345 0.000000       0.000000 277.2827 14.06853 ?        ?        0.000000       14.06853 
1 1 1 -2  29 6  o 262.2783 10.97718 2033.219       168.4778 2279.274       210.9382 1599.692       279.9934 277.2907 13.00713 230.0756 20.98102 47.21507       24.68579 
1 1 1 -2  29 7  o 62.48066 22.69531 98.19152       107.4198 196.8204       117.9091 -383.3225      260.5252 80.03960 23.54826 55.41386 26.73514 24.62574       35.62707 
1 1 1 -2  29 8  o 208.9919 9.610508 1289.574       117.4795 1278.451       129.9485 1339.333       274.8484 207.9183 10.69275 209.8227 22.69606 -1.904388      25.08876 
1 1 1 -2  29 9  o 212.6437 9.483145 1334.692       117.9673 1299.936       131.6885 1475.885       265.4247 209.6551 10.74591 221.0126 20.71892 -11.35745      23.33984 
1 1 1 -2  29 10 o 273.1287 8.597122 2197.981       137.5402 2405.335       160.5705 1626.639       266.5368 285.5692 9.601119 232.4259 19.73996 53.14325       21.95102 
1 1 1 -2  29 11 o 467.6682 9.661034 6444.087       264.9793 6997.492       427.4012 6098.563       337.7170 485.4793 15.02927 454.0027 12.69611 31.47662       19.67410 
1 1 1 -2  29 12 o 177.1698 11.24058 930.0225       116.1940 959.8212       137.8659 856.9534       215.8861 179.6564 13.17634 167.4082 22.56247 12.24825       26.12817 
1 1 1 -2  29 13 o 283.4833 8.313680 2366.867       138.0708 2322.153       167.9160 2460.209       242.6084 280.4764 10.22522 287.7787 14.42058 -7.302277      17.67790 
1 1 1 -2  29 14 o 183.0248 12.54624 994.8698       133.8564 979.4823       148.2588 1062.725       311.3358 181.3055 14.05272 184.1214 29.85343 -2.815918      32.99554 
1 1 1 -2  29 15 o 94.03580 26.06364 276.9952       148.7163 341.2006       173.3742 98.20065       289.3183 103.9234 27.87350 86.06191 35.47185 17.86145       45.11301 
1 1 1 -2  29 16 f 153.1284 12.59316 698.2092       112.0958 654.5305       138.5218 781.0811       190.8036 147.4615 16.28843 160.0451 20.82105 -12.58359      26.43538 
1 1 1 -2  29 17 o 140.0354 12.84601 585.3586       104.3267 574.8057       128.1309 606.1154       179.7011 138.0580 16.12847 140.0470 22.65190 -1.989059      27.80712 
1 1 1 -2  29 18 o 165.2716 12.35717 812.9758       118.9084 860.6963       161.7615 756.8773       175.3876 169.1259 16.51886 157.7273 19.36612 11.39864       25.45426 
1 1 1 -2  29 19 o 105.8410 17.83225 343.9986       106.7602 371.4479       150.1411 315.9259       151.8367 108.4585 24.21711 99.76376 25.77016 8.694756       35.36339 
1 1 1 -2  29 20 o 227.7135 13.08290 1544.319       173.9849 0.000000       0.000000 1544.319       173.9849 ?        ?        227.7135 13.08290 0.000000       13.08290 
1 1 1 -2  29 21 o 179.4627 11.52261 957.9504       120.6353 1084.599       211.2165 896.6355       146.9641 188.6941 19.36046 172.8453 14.63527 15.84886       24.26971 
1 1 1 -2  29 22 o 109.1616 16.40099 364.5087       101.7570 403.0801       203.2316 351.6038       117.5533 111.1822 30.33216 106.2980 19.57758 4.884178       36.10154 
1 1 1 -2  29 23 o 335.0379 8.784455 3315.882       172.4585 3710.751       288.7815 3096.990       215.0094 352.4821 13.99736 322.9825 11.36857 29.49960       18.03249 
1 1 1 -2  29 24 o 211.8097 9.694876 1329.690       120.1117 1393.703       210.9219 1298.969       146.1180 214.5857 16.89608 208.7582 11.98502 5.827438       20.71517 
1 1 1 -2  29 25 o 410.1533 10.78337 4994.681       259.1638 4660.067       307.7092 5811.374       480.7263 394.8924 13.30552 437.0250 18.80001 -42.13260      23.03209 
1 1 1 -2  29 26 o 40.64124 19.71840 -231.9410      146.8216 -187.9668      164.3868 -405.3499      326.4406 46.35115 22.05797 62.35994 30.04634 -16.00879      37.27381 
1 1 1 -2  29 27 o 185.8272 9.571132 1027.308       103.9579 949.1946       177.0367 1068.419       128.4328 175.7204 17.40723 188.8752 11.65117 -13.15471      20.94664 
1 1 1 -2  29 28 o 54.12702 18.38248 85.32593       69.64745 -67.02583      153.7374 124.6683       78.12424 51.33942 23.34587 63.11907 19.30767 -11.77965      30.29548 
1 1 1 -2  29 29 o 93.68922 14.21572 271.6225       75.66104 127.0067       158.9987 313.9556       86.02526 70.09216 27.14405 100.5650 15.04755 -30.47289      31.03592 
1 1 1 -2  29 30 o 93.06650 14.07099 268.5998       74.40597 251.2859       76.92052 520.5027       293.4009 89.56976 15.18485 116.2420 37.67420 -26.67225      40.61927 
1 1 1 -2  29 31 o 228.5798 7.965004 1553.715       106.6130 1526.186       112.7155 1787.493       328.4688 226.3223 8.507055 232.3225 24.47479 -6.000168      25.91110 
1 1 1 -2  29 32 o 172.9603 9.805309 898.3829       99.05483 942.3806       103.6966 439.6763       334.8248 177.0630 10.02685 105.0822 39.71008 71.98080       40.95642 
1 1 1 -2  29 33 o 115.8547 14.72356 419.6196       97.78413 458.1706       101.9181 -26.88056      346.8524 121.1666 14.63863 74.53754 34.33091 46.62909       37.32158 
1 1 1 -2  29 34 o 171.9983 10.17831 893.7877       102.2125 941.5811       107.6966 460.0333       324.4441 176.4090 10.45643 103.6730 39.10915 72.73606       40.48286 
1 1 1 -2  29 35 o 135.3665 12.40839 564.3462       97.41456 559.9025       101.4883 616.3887       347.3142 134.5038 13.02859 114.9621 40.92695 19.54172       42.95066 
1 1 1 -2  29 36 o 105.8376 15.32671 357.0508       92.36896 380.5457       95.07425 -38.26394      389.9840 109.3660 15.23585 74.33459 34.95194 35.03136       38.12833 
1 1 1 -2  29 37 o 120.3001 14.81311 459.2055       102.3068 453.3704       105.0347 567.1835       451.8289 119.1793 15.38596 102.8051 43.48483 16.37418       46.12654 
1 1 1 -2  29 38 o 59.25617 21.95254 108.2287       101.2891 152.2384       105.2041 -450.2878      374.7802 66.73013 22.59338 59.48053 29.39101 7.249603       37.07145 
1 1 1 -2  29 39 o 150.7817 12.81074 709.3774       112.2138 694.7655       116.9811 877.7673       397.1185 148.6769 13.56523 125.0970 43.83199 23.57984       45.88309 
1 1 1 -2  29 40 o 164.7355 14.81943 865.0037       141.6470 873.9709       148.8602 779.1451       460.6192 164.9152 15.57554 109.7860 44.95000 55.12917       47.57206 
1 1 1 -2  29 41 o 78.90739 25.37948 235.1483       133.3111 255.7346       139.3625 13.42570       457.3639 81.79341 25.91044 75.09471 36.02218 6.698700       44.37283 
1 1 1 -2  30 1  o 94.27422 19.42918 275.0153       103.8494 159.7117       111.4284 1037.163       286.4801 73.19908 23.16619 182.7242 27.59192 -109.5251      36.02758 
1 1 1 -2  30 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  30 3  o 189.6350 10.39192 1063.513       115.1335 933.4888       124.2881 1849.881       305.6547 177.3643 12.01948 247.4544 21.26740 -70.09012      24.42889 
1 1 1 -2  30 4  o 297.8078 10.15340 2617.493       177.0771 2485.830       209.4695 2947.212       331.4827 289.7630 12.35450 313.9026 18.08245 -24.13962      21.89997 
1 1 1 -2  30 5  o 193.5680 11.36303 1109.735       128.4293 1109.735       128.4293 0.000000       0.000000 193.5680 11.36303 ?        ?        0.000000       11.36303 
1 1 1 -2  30 6  o 52.41728 21.93624 17.50825       113.0578 -85.96432      121.1649 714.0243       314.3618 44.32547 20.37014 148.3161 36.41293 -103.9906      41.72342 
1 1 1 -2  30 7  f 391.9737 9.367840 4525.619       215.3510 4525.619       215.3510 0.000000       0.000000 391.9737 9.367840 ?        ?        0.000000       9.367840 
1 1 1 -2  30 8  o 68.44012 24.14635 125.5443       120.6616 210.4680       131.5958 -322.7188      302.3390 82.92477 24.99585 64.09908 30.33166 18.82569       39.30397 
1 1 1 -2  30 9  o 201.7466 11.31644 1205.023       133.3590 1318.733       148.6374 735.6453       301.9884 210.9455 12.06486 151.0430 34.80614 59.90250       36.83786 
1 1 1 -2  30 10 o 292.7722 12.18641 2536.896       208.7879 2499.723       265.5831 2597.042       337.8242 289.7397 15.68790 294.0692 19.70169 -4.329559      25.18466 
1 1 1 -2  30 11 o 340.1646 8.286850 3405.254       165.3214 3516.263       198.9668 3157.713       297.1150 345.2756 9.835739 325.7362 15.59811 19.53940       18.44025 
1 1 1 -2  30 12 o 323.1924 8.169936 3075.736       154.7327 3175.084       191.7454 2890.256       261.9953 328.0413 9.978176 311.9305 14.35992 16.11087       17.48631 
1 1 1 -2  30 13 o 145.0650 13.63912 628.6618       114.6764 572.3536       133.9419 783.2609       221.9394 137.6468 16.94958 159.1668 24.56529 -21.52008      29.84530 
1 1 1 -2  30 14 o 232.8560 9.293180 1600.287       126.6570 1609.999       150.7224 1576.948       233.6540 233.2536 11.04931 229.2809 17.50863 3.972702       20.70361 
1 1 1 -2  30 15 o 247.0605 9.754450 1802.861       141.0595 1813.794       157.5497 1758.684       316.7046 247.5938 10.87648 240.2237 22.75068 7.370087       25.21689 
1 1 1 -2  30 16 o 90.29508 26.45810 254.9035       149.1066 251.8988       173.9809 263.2157       289.3761 90.74196 28.97412 99.47454 37.05704 -8.732582      47.03960 
1 1 1 -2  30 17 o 364.3629 10.41176 3924.277       222.2611 3981.204       281.2886 3829.665       362.6328 366.1451 13.12052 357.4226 17.35138 8.722443       21.75358 
1 1 1 -2  30 18 f 327.4586 7.769696 3158.073       149.2145 3288.809       191.7377 2957.304       237.6067 333.5970 9.810859 315.4350 12.87098 18.16202       16.18379 
1 1 1 -2  30 19 o 343.1333 7.790184 3468.717       156.7693 3829.024       210.1642 3016.748       235.3838 359.8475 9.968006 318.5572 12.62407 41.29031       16.08504 
1 1 1 -2  30 20 o 77.48769 21.56280 188.2642       101.5667 177.5751       144.3750 198.7374       142.9101 77.80961 26.46598 80.86790 26.29963 -3.058289      37.31111 
1 1 1 -2  30 21 o 250.3236 8.922892 1852.279       130.7865 2031.285       192.6142 1699.147       178.1512 261.1326 12.61430 238.7318 12.77060 22.40080       17.95018 
1 1 1 -2  30 22 o 152.3872 11.96608 693.7664       106.0854 698.6540       173.0345 690.8229       134.2828 150.4680 20.11137 151.1682 15.35943 -0.7002411     25.30572 
1 1 1 -2  30 23 o 74.89134 21.53080 176.2332       99.59686 57.31234       203.4332 213.7232       114.2220 70.45522 29.45097 82.03728 22.88083 -11.58206      37.29466 
1 1 1 -2  30 24 o 106.2705 16.14753 347.3589       97.47717 598.4051       204.6575 273.6969       110.8595 135.8842 26.63341 92.78352 20.87888 43.10072       33.84178 
1 1 1 -2  30 25 o 229.5414 9.147928 1562.798       122.9033 1751.262       209.1521 1463.397       151.8952 240.8104 14.88208 221.2920 11.74590 19.51842       18.95897 
1 1 1 -2  30 26 o 144.2639 10.91393 623.6528       91.65492 452.1630       165.1652 699.9612       110.1757 117.4853 24.75335 152.4109 12.43387 -34.92557      27.70071 
1 1 1 -2  30 27 o 109.3699 23.37646 392.5970       145.3960 510.0008       162.9557 -65.78093      321.9886 125.2175 23.03852 74.25585 33.77441 50.96165       40.88379 
1 1 1 -2  30 28 o 67.43933 17.62176 145.7299       70.45486 -32.30957      152.5394 194.0117       79.43566 53.38351 23.85122 77.77852 17.80016 -24.39501      29.76116 
1 1 1 -2  30 29 o 165.8813 11.72572 831.9547       113.3391 0.000000       0.000000 831.9547       113.3391 ?        ?        165.8813 11.72572 0.000000       11.72572 
1 1 1 -2  30 30 o 108.6937 12.61761 362.0457       78.93975 376.0026       81.24862 126.8928       333.5009 110.7475 12.74114 83.41063 36.33858 27.33686       38.50752 
1 1 1 -2  30 31 o 189.5535 8.992922 1074.836       99.68803 1111.634       104.4383 697.7092       334.3431 192.6594 9.270337 129.1166 40.02266 63.54286       41.08226 
1 1 1 -2  30 32 o 103.3058 15.53228 337.2772       91.19460 339.1602       94.49412 311.7173       348.1418 103.3228 16.12005 93.49478 38.75866 9.827995       41.97726 
1 1 1 -2  30 33 o 159.7232 10.65401 773.4528       99.22965 801.7753       103.3747 441.3778       353.9700 162.5046 10.90992 101.5320 40.15001 60.97258       41.60589 
1 1 1 -2  30 34 o 55.71170 20.42468 90.28995       87.29524 81.79807       89.98489 226.0057       359.7351 54.58213 20.59513 86.14411 37.63122 -31.56199      42.89835 
1 1 1 -2  30 35 o 198.8217 9.161407 1190.625       106.5387 1186.329       110.1289 1253.315       420.6822 198.2662 9.498766 162.5009 43.34460 35.76529       44.37320 
1 1 1 -2  30 36 o 85.33450 19.71673 247.5277       96.69263 267.3253       99.39828 -101.3477      417.2607 88.82771 19.60579 72.84044 34.79661 15.98727       39.93984 
1 1 1 -2  30 37 o 122.8389 15.65426 484.2988       110.2179 580.4962       115.3589 -523.3958      373.3651 135.2153 14.78790 57.67863 28.64661 77.53664       32.23833 
1 1 1 -2  30 38 o 54.79401 22.92439 58.98727       123.4201 52.61120       129.7051 120.0364       401.3473 54.90214 23.26407 78.28975 36.36291 -23.38761      43.16802 
1 1 1 -2  30 39 o 73.56863 26.37831 198.5395       144.5387 201.6117       152.3124 170.7256       458.2861 74.01215 27.00363 81.08591 38.05151 -7.073761      46.65955 
1 1 1 -2  30 40 o 181.5349 14.28893 1046.055       150.9028 1033.179       159.8696 1151.278       457.0075 179.3794 15.34368 135.0931 47.04236 44.28633       49.48143 
1 1 1 -2  31 1  o 428.9933 10.78336 5431.980       271.0882 5090.219       335.9061 6070.339       459.0803 414.3934 13.84090 451.2022 17.38120 -36.80881      22.21884 
1 1 1 -2  31 2  o 168.3079 14.40791 845.3893       140.8518 845.3893       140.8518 0.000000       0.000000 168.3079 14.40791 ?        ?        0.000000       14.40791 
1 1 1 -2  31 3  o 427.0365 10.91948 5383.489       273.2505 5765.657       357.7178 4848.086       423.4024 441.0549 13.84636 402.9219 17.96285 38.13303       22.68007 
1 1 1 -2  31 4  o 787.6412 14.44304 18385.72       667.1716 18360.13       923.3203 18413.68       965.1130 782.9751 20.12399 783.3691 21.02588 -0.3939819     29.10433 
1 1 1 -2  31 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  31 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  31 7  o 254.2419 11.35549 1911.943       168.8909 1911.943       168.8909 0.000000       0.000000 254.2419 11.35549 ?        ?        0.000000       11.35549 
1 1 1 -2  31 8  o 180.5785 12.35206 968.2902       130.0268 1001.741       142.5799 803.0261       316.9174 183.4977 13.33992 157.6573 35.17010 25.84041       37.61501 
1 1 1 -2  31 9  o 203.4994 12.34702 1228.677       146.6654 1228.677       146.6654 0.000000       0.000000 203.4994 12.34702 ?        ?        0.000000       12.34702 
1 1 1 -2  31 10 o 321.0597 12.27911 3052.104       230.7820 3531.798       307.0545 2429.303       349.8713 344.5284 15.23404 283.6113 21.18772 60.91702       26.09589 
1 1 1 -2  31 11 o 233.9539 9.727378 1616.382       133.1767 1682.625       152.3603 1401.890       274.1597 238.4919 10.92200 214.6591 22.09237 23.83278       24.64473 
1 1 1 -2  31 12 o 248.0645 9.414458 1816.532       136.7167 1971.678       164.2564 1466.673       246.6607 258.1744 10.87256 220.4416 19.27265 37.73285       22.12798 
1 1 1 -2  31 13 o 282.0462 8.357924 2344.808       138.0988 2315.411       166.2043 2410.359       248.1893 279.9303 10.14052 284.3735 14.93373 -4.443237      18.05122 
1 1 1 -2  31 14 o 142.7475 15.12920 612.7684       124.7328 666.8049       136.4804 338.7979       307.3113 148.7910 15.88568 107.6308 38.47805 41.16018       41.62830 
1 1 1 -2  31 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  31 16 o 292.1836 14.05185 2545.170       240.0849 0.000000       0.000000 2545.170       240.0849 ?        ?        292.1836 14.05185 0.000000       14.05185 
1 1 1 -2  31 17 o 149.4029 13.34596 668.5861       115.7089 733.7389       142.5030 542.5048       198.2362 155.9363 15.79993 130.3409 26.82773 25.59538       31.13463 
1 1 1 -2  31 18 o 179.3163 12.91164 960.3594       134.8758 1058.710       192.6532 865.8143       188.8890 186.8473 17.79544 168.2380 19.50498 18.60931       26.40307 
1 1 1 -2  31 19 o 117.6317 16.37777 422.3488       109.9275 495.3492       146.7504 329.0166       165.9330 126.2877 20.51737 101.0095 27.34576 25.27820       34.18703 
1 1 1 -2  31 20 o 272.3847 8.197542 2190.570       130.8044 2353.535       174.2099 1979.961       198.0446 281.7170 10.56280 257.5540 13.15482 24.16293       16.87075 
1 1 1 -2  31 21 o 126.1943 14.77920 482.6702       107.3111 642.0478       160.5103 353.8554       144.3019 144.2525 19.46930 105.1229 23.94304 39.12955       30.85972 
1 1 1 -2  31 22 o 201.7511 10.36537 1209.858       122.2342 1424.469       195.8779 1072.984       156.4300 217.2285 15.47648 188.8260 14.23035 28.40247       21.02437 
1 1 1 -2  31 23 o 153.3648 12.14777 705.3633       108.3711 651.1287       180.0200 736.1889       135.7184 143.7350 22.05884 155.8011 15.03984 -12.06619      26.69811 
1 1 1 -2  31 24 o 46.56330 19.07281 28.05922       82.97517 -78.30699      179.9299 56.78897       93.51202 55.55899 25.26145 52.88452 20.72045 2.674465       32.67228 
1 1 1 -2  31 25 o 142.6938 10.87189 610.7372       90.29813 705.9627       173.7444 575.4977       105.6937 149.5855 20.33053 137.7457 13.24653 11.83987       24.26522 
1 1 1 -2  31 26 o 179.9664 14.81741 990.0888       155.0078 1099.555       177.4719 637.9338       318.3141 188.9964 16.16636 129.3997 38.84647 59.59673       42.07611 
1 1 1 -2  31 27 o 308.0294 8.327641 2819.377       150.3025 2984.958       233.1296 2701.593       196.6224 314.2574 12.67516 299.9325 11.19753 14.32492       16.91284 
1 1 1 -2  31 28 o 158.3844 9.561250 751.4059       88.39960 681.0877       159.0193 782.8552       106.3459 146.3537 18.97265 160.9998 11.33521 -14.64604      22.10087 
1 1 1 -2  31 29 o 130.9228 10.81285 518.1328       82.28487 587.6652       165.6490 495.3550       94.80937 133.8121 21.86199 127.2007 12.88660 6.611435       25.37737 
1 1 1 -2  31 30 o 33.57943 15.49851 -48.50513      71.21761 -50.33468      72.54721 0.3985314E-01  373.6978 33.78289 15.61020 78.49851 35.96296 -44.71562      39.20476 
1 1 1 -2  31 31 o 170.2360 9.376561 870.8914       93.25347 884.3309       96.37232 673.2756       369.5484 171.4381 9.623688 121.3399 42.29913 50.09819       43.38008 
1 1 1 -2  31 32 o 127.8394 12.61560 503.5702       93.35370 511.8564       96.92010 397.1525       347.3285 128.6969 13.01978 98.08284 39.44202 30.61409       41.53537 
1 1 1 -2  31 33 o 82.10002 18.46439 223.6265       86.74354 225.8451       89.47669 188.9658       353.6610 82.29677 18.93287 83.67496 36.90683 -1.378189      41.47972 
1 1 1 -2  31 34 o 156.6736 10.52286 746.8065       96.12899 720.8053       99.03653 1170.227       399.6548 153.6178 11.06685 158.2275 42.26672 -4.609695      43.69154 
1 1 1 -2  31 35 o 56.32954 20.96128 93.65186       92.53943 118.3827       94.93944 -377.0282      414.1811 60.70724 21.41853 64.77838 31.79054 -4.071140      38.33264 
1 1 1 -2  31 36 o 80.72710 21.29318 227.8570       102.2441 190.9368       105.3682 822.9200       423.0177 73.59807 22.40523 119.6647 44.75911 -46.06667      50.05369 
1 1 1 -2  31 37 o 133.4108 15.88809 573.9614       121.8725 585.1733       127.6980 459.4207       408.1540 134.1995 16.57695 94.61371 40.70833 39.58583       43.95411 
1 1 1 -2  31 38 o 84.75115 27.95367 281.5630       161.2005 219.4493       168.4090 960.8869       556.9424 76.33096 28.30125 112.8151 48.02095 -36.48409      55.74023 
1 1 1 -2  31 39 o 117.6805 24.37865 506.7382       162.7161 505.1779       169.7054 524.5188       572.8825 116.2906 25.57949 92.98696 43.27567 23.30366       50.27021 
1 1 1 -2  32 1  o 554.3610 9.202584 9052.544       299.1941 8647.597       336.5909 10577.16       653.1049 541.4209 10.60027 594.7360 18.74783 -53.31512      21.53710 
1 1 1 -2  32 2  o 700.4235 19.53161 14691.64       801.5398 0.000000       0.000000 14691.64       801.5398 ?        ?        700.4235 19.53161 0.000000       19.53161 
1 1 1 -2  32 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  32 4  o 326.6008 13.57339 3164.640       259.4230 3164.640       259.4230 0.000000       0.000000 326.6008 13.57339 ?        ?        0.000000       13.57339 
1 1 1 -2  32 5  o 418.6375 14.55161 5205.404       356.7294 5205.404       356.7294 0.000000       0.000000 418.6375 14.55161 ?        ?        0.000000       14.55161 
1 1 1 -2  32 6  o 271.9738 13.75561 2197.519       218.6981 2197.519       218.6981 0.000000       0.000000 271.9738 13.75561 ?        ?        0.000000       13.75561 
1 1 1 -2  32 7  o 366.9484 11.62222 3982.948       249.8025 3800.855       315.9600 4286.527       407.9645 357.3854 15.10865 378.2387 18.44666 -20.85327      23.84429 
1 1 1 -2  32 8  o 234.7796 10.88111 1631.090       149.4174 1631.090       149.4174 0.000000       0.000000 234.7796 10.88111 ?        ?        0.000000       10.88111 
1 1 1 -2  32 9  o 256.5089 9.518668 1942.653       142.9470 2003.026       158.2519 1675.037       333.1832 260.3016 10.38710 233.5626 24.69734 26.73904       26.79273 
1 1 1 -2  32 10 f 281.1490 9.418425 2333.331       155.0786 2197.891       169.2187 3043.654       387.5273 272.6148 10.60419 317.2107 20.94797 -44.59589      23.47906 
1 1 1 -2  32 11 o 148.5984 15.71124 664.7670       134.8516 706.2791       139.6976 97.38073       516.4655 153.1998 15.77337 106.5679 45.82124 46.63185       48.46014 
1 1 1 -2  32 12 o 76.76842 28.30618 150.8803       168.0571 244.9155       226.8493 36.48988       250.2000 92.85154 33.07410 75.97767 32.25761 16.87387       46.20010 
1 1 1 -2  32 13 o 364.2893 8.485134 3911.585       181.2824 3828.499       201.7642 4259.614       412.9424 360.0251 9.564137 375.9633 18.78762 -15.93823      21.08192 
1 1 1 -2  32 14 o 148.3866 14.65446 662.1815       125.8675 567.1289       137.0144 1176.079       318.5829 136.4581 17.52457 192.4468 29.13749 -55.98871      34.00153 
1 1 1 -2  32 15 o 251.9571 9.895014 1878.714       145.9312 1899.611       162.4276 1791.229       332.3427 253.0932 10.96885 240.8052 23.84538 12.28801       26.24724 
1 1 1 -2  32 16 o 184.0548 14.23192 1015.611       152.4321 990.2893       172.4942 1105.871       325.6648 181.0791 16.42095 185.0341 31.11312 -3.954926      35.18060 
1 1 1 -2  32 17 o 313.5609 8.117450 2901.299       149.1512 2919.000       184.1315 2867.522       254.3527 314.0057 10.01142 309.8079 14.03533 4.197784       17.24004 
1 1 1 -2  32 18 o 322.1707 9.433997 3070.325       178.0591 2682.370       240.0163 3545.183       265.5412 299.6572 13.69351 344.8163 13.15500 -45.15912      18.98858 
1 1 1 -2  32 19 o 153.8183 13.17979 710.0257       117.7511 782.7861       155.0177 610.7802       181.0460 160.4913 16.71405 139.3497 22.95134 21.14165       28.39231 
1 1 1 -2  32 20 o 236.6842 9.522465 1660.451       131.9112 1820.606       177.7605 1464.174       196.7886 246.9823 12.31091 220.3434 15.32371 26.63889       19.65641 
1 1 1 -2  32 21 o 35.97075 17.21752 -136.0472      103.2473 -112.8408      157.6270 -153.4853      136.6392 49.48280 22.91563 42.65560 20.24496 6.827206       30.57752 
1 1 1 -2  32 22 o 270.7749 8.415927 2170.693       133.4853 2159.697       181.7298 2183.577       196.7125 268.9602 11.54783 270.0558 12.45371 -1.095612      16.98374 
1 1 1 -2  32 23 o 259.1045 8.365331 1989.907       126.9519 2111.016       181.3900 1873.623       177.7397 265.5505 11.67558 249.9263 12.16264 15.62422       16.85969 
1 1 1 -2  32 24 o 144.9240 11.27566 631.7014       95.08327 623.4706       168.5531 635.5432       115.1552 139.7169 21.23792 144.4976 13.75423 -4.780624      25.30273 
1 1 1 -2  32 25 o 87.41426 15.80622 240.0629       78.05087 280.1301       149.2673 224.9853       91.56620 90.92979 26.42400 83.46882 19.11718 7.460976       32.61433 
1 1 1 -2  32 26 o 92.35331 25.53687 290.4175       142.9527 245.4919       159.6325 472.3201       321.2134 85.22750 27.80122 110.6388 39.36210 -25.41129      48.19007 
1 1 1 -2  32 27 o 106.8843 12.69838 350.2420       78.04595 266.9017       160.9138 375.8777       89.24590 87.88250 27.84218 110.2272 14.12996 -22.34467      31.22247 
1 1 1 -2  32 28 o 155.4957 16.47532 757.0522       147.9630 687.8079       164.6911 1046.905       336.9513 146.2029 19.70868 165.9793 35.67715 -19.77638      40.75894 
1 1 1 -2  32 29 o 45.14804 21.29577 -125.1470      146.8382 -54.65028      161.0507 -472.5069      357.4936 52.24823 23.81170 60.26159 29.56596 -8.013359      37.96239 
1 1 1 -2  32 30 o 134.0372 10.41996 544.3604       81.26795 578.2797       83.36407 -104.8060      364.6980 138.1968 10.36105 72.05843 33.85600 66.13836       35.40593 
1 1 1 -2  32 31 o 129.7631 11.29125 514.0229       85.07507 506.9875       87.24281 650.3425       384.0289 128.6871 11.68696 116.5566 42.82136 12.13046       44.38754 
1 1 1 -2  32 32 o 57.41146 20.62782 99.74277       88.43947 118.0446       90.78001 -241.5174      391.9997 60.86620 20.97814 68.19143 32.87351 -7.325226      38.99680 
1 1 1 -2  32 33 o 100.6831 16.80823 329.1376       95.75311 340.0540       98.44037 137.3403       412.6241 102.2554 17.01232 82.19501 37.70599 20.06034       41.36618 
1 1 1 -2  32 34 o 50.80590 20.76217 52.19791       98.04015 66.70743       100.6745 -214.2174      431.3924 53.15934 21.28361 70.08643 33.95624 -16.92709      40.07516 
1 1 1 -2  32 35 o 65.30230 21.80953 145.0233       98.04864 181.9745       100.4172 -610.6528      454.1105 72.09015 21.85745 61.99339 30.91958 10.09676       37.86514 
1 1 1 -2  32 36 o 162.2811 12.46095 818.6313       117.6886 864.7817       121.3644 91.20724       481.8342 166.7859 12.49832 79.89301 37.94687 86.89293       39.95213 
1 1 1 -2  32 37 o 57.78186 23.74613 81.61331       129.1601 78.31263       133.1618 134.0675       530.8454 57.82978 23.97188 81.59035 39.05000 -23.76057      45.82088 
1 1 1 -2  32 38 o 60.70539 24.58712 102.9876       136.0433 126.4500       139.8904 -306.0681      584.1074 63.76868 25.23297 72.70119 36.05997 -8.932510      44.01163 
1 1 1 -2  33 1  f 232.2484 10.14543 1594.570       137.8557 1436.198       146.9954 2750.629       397.1495 220.1475 11.42425 300.8343 22.67699 -80.68678      25.39211 
1 1 1 -2  33 2  o 303.9704 11.80601 2736.523       210.0673 2428.615       254.7940 3390.025       371.1953 285.3674 15.27991 335.8605 18.92138 -50.49316      24.32066 
1 1 1 -2  33 3  o 465.8905 10.54824 6408.444       288.2135 5896.450       346.1813 7564.949       520.2889 445.8252 13.25473 502.8148 17.67102 -56.98962      22.08965 
1 1 1 -2  33 4  o 827.1943 15.09371 20349.35       732.2412 22436.53       1142.976 18896.39       953.6406 860.7997 22.66013 792.1647 20.54402 68.63501       30.58657 
1 1 1 -2  33 5  o 442.1184 14.37360 5812.445       372.2006 5812.445       372.2006 0.000000       0.000000 442.1184 14.37360 ?        ?        0.000000       14.37360 
1 1 1 -2  33 6  o 280.8858 15.99422 2358.698       262.3883 2358.698       262.3883 0.000000       0.000000 280.8858 15.99422 ?        ?        0.000000       15.99422 
1 1 1 -2  33 7  o 459.6060 13.52657 6273.876       364.2093 6273.876       364.2093 0.000000       0.000000 459.6060 13.52657 ?        ?        0.000000       13.52657 
1 1 1 -2  33 8  o 274.8177 9.548265 2230.950       153.6595 2267.416       170.3615 2071.854       355.8440 276.8441 10.51176 260.0193 23.59127 16.82477       25.82722 
1 1 1 -2  33 9  f 267.3639 11.38251 2118.999       178.0724 2014.465       203.6263 2458.838       367.1488 260.1331 13.39220 283.8983 22.22813 -23.76514      25.95074 
1 1 1 -2  33 10 o 56.53423 23.06272 42.07983       120.7122 99.42878       129.5829 -334.2948      331.9670 65.34924 24.70196 66.96332 31.71545 -1.614075      40.20021 
1 1 1 -2  33 11 o 118.1026 18.45924 428.7857       123.6744 460.5799       136.2465 279.9660       294.7687 122.1305 19.69128 100.4998 37.40816 21.63069       42.27430 
1 1 1 -2  33 12 o 332.5071 8.427761 3262.235       164.2153 3310.302       191.6437 3129.438       318.5435 334.5929 9.776722 322.6676 16.89188 11.92526       19.51717 
1 1 1 -2  33 13 o 212.2593 11.03235 1337.738       136.8650 1208.486       156.0982 1767.429       284.6149 201.1402 13.30752 240.7062 20.35190 -39.56599      24.31645 
1 1 1 -2  33 14 o 280.8999 12.58535 2349.210       206.8059 2134.503       246.8452 2854.760       378.7769 266.5405 15.86280 305.5810 21.26794 -39.04053      26.53213 
1 1 1 -2  33 15 o 158.6570 14.20276 756.7592       130.7582 686.8317       142.0875 1143.543       334.1691 150.4760 16.36367 187.6330 31.48127 -37.15695      35.48013 
1 1 1 -2  33 16 o 133.9488 15.33833 543.8303       118.3240 589.5587       144.3700 450.2595       206.5163 138.6607 18.19138 117.0825 29.95623 21.57820       35.04714 
1 1 1 -2  33 17 o 181.3045 16.65361 997.0256       175.1025 1172.041       204.9582 524.1118       336.9132 196.1559 18.01723 123.8143 40.38895 72.34159       44.22542 
1 1 1 -2  33 18 o 172.3590 11.99829 888.0566       120.5269 850.8018       145.9456 967.9565       213.7334 167.7935 14.98849 176.6504 21.04362 -8.856903      25.83580 
1 1 1 -2  33 19 o 87.26156 25.18625 245.3451       136.0339 351.2365       197.0115 148.8555       188.0622 102.9224 30.48048 77.21467 29.62075 25.70777       42.50234 
1 1 1 -2  33 20 o 80.43651 22.44946 207.5243       109.9159 135.1224       149.1331 293.6262       162.6318 71.36876 26.59963 94.49954 27.61596 -23.13078      38.34295 
1 1 1 -2  33 21 o 84.69230 20.63902 230.7701       101.5622 184.0381       145.6982 274.9405       141.6487 77.40117 26.58040 91.35033 25.48093 -13.94916      36.82113 
1 1 1 -2  33 22 o 116.4365 14.38859 415.6047       96.16733 389.1416       148.9153 434.5358       125.9528 108.7383 23.99512 117.3294 18.94975 -8.591080      30.57546 
1 1 1 -2  33 23 o 108.4454 14.42640 362.4877       89.47901 172.7278       150.6313 465.9597       111.2307 75.26356 26.93529 122.6032 15.83910 -47.33963      31.24719 
1 1 1 -2  33 24 o 110.4982 13.06492 373.8125       83.03093 237.3657       138.8431 449.7764       103.5968 84.08312 25.74308 120.5929 14.96908 -36.50978      29.77884 
1 1 1 -2  33 25 o 103.3974 13.26039 328.9998       78.56248 402.4488       139.3388 294.7687       95.12401 110.3302 22.30198 96.15224 17.51369 14.17799       28.35679 
1 1 1 -2  33 26 o 132.1709 18.02779 554.6237       136.1039 523.8319       147.6273 729.0808       351.3932 127.0165 20.51687 132.3173 41.03306 -5.300797      45.87651 
1 1 1 -2  33 27 o 84.15062 14.89082 223.3808       70.80116 219.3576       141.7631 224.7178       81.72327 80.24807 26.20044 83.49459 17.25989 -3.246521      31.37462 
1 1 1 -2  33 28 o 53.91129 23.77230 -1.613775      146.6338 98.31688       160.8103 -494.5982      357.1750 65.37252 26.63753 59.40715 29.22756 5.965370       39.54502 
1 1 1 -2  33 29 o 111.6810 12.83548 385.7008       82.54353 475.4854       161.9908 354.2125       95.93211 117.1083 24.37961 105.4963 16.00710 11.61198       29.16492 
1 1 1 -2  33 30 o 154.3810 9.318100 717.8693       83.97406 730.5281       85.87859 441.9218       400.9601 155.6823 9.450294 100.2841 41.58604 55.39827       42.64630 
1 1 1 -2  33 31 o 82.68394 17.35111 224.4172       81.45198 229.5352       83.19240 105.9215       400.2994 83.55565 17.53674 81.25243 37.22326 2.303223       41.14740 
1 1 1 -2  33 32 o 127.0277 12.83872 501.4925       94.33537 500.7905       96.87277 514.3690       414.8856 126.7212 13.22937 101.4158 42.19955 25.30531       44.22463 
1 1 1 -2  33 33 o 61.95475 21.63116 125.6148       96.66365 110.7681       99.31769 392.3208       420.9482 59.61077 21.79678 92.85290 40.63122 -33.24212      46.10852 
1 1 1 -2  33 34 o 60.32369 21.38270 117.7320       94.71201 126.8208       97.10966 -59.53669      428.8702 62.01945 21.67914 73.78776 35.25686 -11.76831      41.38879 
1 1 1 -2  33 35 o 103.9785 17.03394 355.9596       100.2809 325.3792       102.5424 1026.430       480.1445 98.42444 18.44184 125.4332 47.51849 -27.00877      50.97165 
1 1 1 -2  33 36 o 39.61395 18.73288 -94.84605      114.9621 -36.97701      117.9742 -1184.925      512.0269 44.46692 20.30926 56.36370 28.66603 -11.89678      35.13129 
1 1 1 -2  33 37 o 178.6614 13.65161 1007.021       141.9592 994.1674       146.8740 1189.496       553.3890 176.9370 14.27497 123.4817 49.74009 53.45524       51.74796 
1 1 1 -2  34 1  o 173.5227 13.23873 898.8878       133.7095 794.1129       141.3258 1793.110       412.8722 162.6179 14.98692 238.1647 30.23966 -75.54677      33.74974 
1 1 1 -2  34 2  o 258.2022 9.551583 1970.336       144.3898 1853.810       156.0861 2661.591       380.1647 250.1983 10.66169 295.4272 22.10192 -45.22881      24.53909 
1 1 1 -2  34 3  o 201.3571 12.60861 1207.097       148.1492 1207.097       148.1492 0.000000       0.000000 201.3571 12.60861 ?        ?        0.000000       12.60861 
1 1 1 -2  34 4  o 305.1438 12.21048 2764.471       218.0770 2891.302       275.8551 2553.115       356.1031 311.0460 15.16761 289.6932 21.10455 21.35278       25.98958 
1 1 1 -2  34 5  o 284.8063 12.69476 2411.719       211.5105 2020.322       254.0014 3296.942       381.9921 259.2646 16.79523 329.9694 19.83074 -70.70486      25.98726 
1 1 1 -2  34 6  o 155.8030 14.47845 729.0450       130.7827 592.8092       140.5714 1606.318       356.7127 139.5403 17.56530 226.3114 27.43538 -86.77109      32.57668 
1 1 1 -2  34 7  o 259.8133 12.46262 2007.646       189.3447 2197.575       224.8384 1544.460       351.1169 271.2996 14.18015 221.6639 27.60541 49.63576       31.03443 
1 1 1 -2  34 8  o 201.3264 11.34790 1204.327       133.4458 1199.859       144.0932 1231.254       353.7240 200.7227 12.29948 195.2349 32.00041 5.487793       34.28270 
1 1 1 -2  34 9  o 160.7861 13.61275 774.6694       127.1593 736.5688       135.9509 1041.003       359.4424 156.3925 15.00622 176.9836 35.85955 -20.59113      38.87279 
1 1 1 -2  34 10 o 294.4297 9.185458 2562.287       158.4169 2467.481       173.1252 3050.194       392.7447 288.6478 10.24308 315.9743 21.31855 -27.32651      23.65167 
1 1 1 -2  34 11 o 136.6305 16.66692 567.9785       130.7922 490.6306       144.9527 906.8428       303.3994 125.7212 20.35457 166.4168 32.25091 -40.69556      38.13699 
1 1 1 -2  34 12 o 117.7068 19.63540 429.9984       130.7755 367.5943       135.0611 1366.785       523.2917 107.9079 22.08614 195.2292 46.39185 -87.32136      51.38094 
1 1 1 -2  34 13 o 83.72470 24.36659 221.6690       126.8428 168.0562       131.7880 896.1000       467.4234 75.23363 25.28724 156.9551 47.06345 -81.72145      53.42670 
1 1 1 -2  34 14 o 355.9834 8.149372 3739.163       170.1392 3748.543       203.1671 3717.141       311.3040 355.8274 9.744791 351.9844 15.11556 3.843018       17.98447 
1 1 1 -2  34 15 o 172.2284 13.28404 889.9784       133.1431 829.1682       144.7204 1225.082       339.7274 165.6679 15.05941 193.6806 30.94979 -28.01266      34.41912 
1 1 1 -2  34 16 o 353.8414 11.89284 3730.232       246.4491 3545.387       302.1653 4097.524       425.9391 343.3332 15.04298 365.7475 19.93242 -22.41431      24.97183 
1 1 1 -2  34 17 o 138.4316 15.87430 584.7488       126.5497 407.0645       151.5502 994.0299       230.0079 112.4589 23.72533 177.9143 22.54930 -65.45538      32.73167 
1 1 1 -2  34 18 o 297.2308 8.557611 2616.110       149.0200 2903.201       190.2517 2160.357       239.7085 312.4112 10.39817 267.1685 15.36324 45.24268       18.55131 
1 1 1 -2  34 19 o 175.5329 11.59834 923.9452       118.7310 1077.492       148.9203 656.0621       196.7009 188.8843 13.53303 142.3178 24.44717 46.56647       27.94292 
1 1 1 -2  34 20 o 239.3157 8.564507 1700.175       120.0116 1844.518       153.4343 1472.701       192.6147 248.5038 10.55185 219.9165 15.02442 28.58731       18.35959 
1 1 1 -2  34 21 o 37.18792 17.65413 -115.2958      104.0257 -330.3271      171.5053 9.857070       130.8420 40.84943 20.12755 53.44108 23.02161 -12.59165      30.57961 
1 1 1 -2  34 22 o 56.17960 20.33164 87.40864       86.10526 48.83881       135.3081 113.6577       111.6237 58.03065 24.11913 63.33815 23.11585 -5.307491      33.40771 
1 1 1 -2  34 23 o 172.9005 9.553347 894.6364       96.49638 946.2466       144.1664 852.7471       129.8817 175.7915 14.10168 167.1959 13.35658 8.595596       19.42307 
1 1 1 -2  34 24 o 30.56274 14.56626 -86.97250      72.23632 -109.7531      129.2769 -76.63087      87.10292 42.94188 20.16997 35.55016 16.65273 7.391720       26.15609 
1 1 1 -2  34 25 o 253.6262 10.05880 1930.303       149.3237 1861.091       161.5370 2336.786       391.4721 248.4053 11.11635 263.4581 25.66084 -15.05275      27.96519 
1 1 1 -2  34 26 o 45.81915 20.81870 -46.60609      121.9470 -70.51032      129.4824 141.0205       362.7610 45.44767 20.94813 84.45818 37.30996 -39.01051      42.78851 
1 1 1 -2  34 27 o 46.77139 17.97761 52.29321       69.36826 -29.17945      141.8016 77.92406       79.53470 50.65620 22.78577 52.91673 19.47961 -2.260536      29.97743 
1 1 1 -2  34 28 o 39.94847 17.12282 6.554140       71.69717 16.55505       138.5161 2.894116       83.79585 53.89193 23.44956 42.31133 18.32573 11.58059       29.76095 
1 1 1 -2  34 29 o 105.3942 13.08008 345.7044       79.11527 378.9364       149.2518 332.7177       93.30203 103.3232 24.92090 101.8841 16.15296 1.439140       29.69798 
1 1 1 -2  34 30 o 66.15654 18.14490 145.6927       72.50351 143.5286       73.66521 212.6885       409.8705 65.62727 18.40096 85.90743 38.68219 -20.28017      42.83582 
1 1 1 -2  34 31 o 135.1093 11.60913 561.5063       91.09796 582.7909       93.21299 108.3843       430.0825 137.6357 11.65722 81.11102 37.66262 56.52469       39.42542 
1 1 1 -2  34 32 f 45.48322 19.26764 24.05114       88.92902 28.72979       90.89661 -80.52204      429.7321 46.44580 19.56744 73.50816 35.16908 -27.06236      40.24611 
1 1 1 -2  34 33 o 72.55987 20.56208 182.7034       91.48058 198.9905       93.45054 -191.4372      447.8955 75.68813 20.53493 70.80706 34.37430 4.881073       40.04092 
1 1 1 -2  34 34 o 58.57765 21.85474 106.5444       100.7241 101.5579       102.7617 228.5595       508.3268 57.96860 21.97805 84.46336 39.77339 -26.49476      45.44180 
1 1 1 -2  34 35 f 113.1584 20.50285 441.5986       131.0580 431.1342       135.2451 602.7927       530.8088 110.9091 21.56919 97.22766 43.87832 13.68148       48.89312 
1 1 1 -2  34 36 o 47.22435 21.20026 -10.94988      122.0811 -25.20058      125.6350 230.3061       516.9296 46.61681 21.16143 82.97618 39.38040 -36.35938      44.70595 
1 1 1 -2  35 1  o 217.3624 20.65445 1444.955       260.1385 1444.955       260.1385 0.000000       0.000000 217.3624 20.65445 ?        ?        0.000000       20.65445 
1 1 1 -2  35 2  o 190.7194 13.06244 1086.335       145.2244 1086.335       145.2244 0.000000       0.000000 190.7194 13.06244 ?        ?        0.000000       13.06244 
1 1 1 -2  35 3  o 474.9684 10.95660 6680.731       305.2047 6422.533       371.5550 7216.354       535.1500 464.2496 13.66135 488.7561 18.70403 -24.50644      23.16189 
1 1 1 -2  35 4  o 322.4641 12.99439 3096.770       245.2434 3096.770       245.2434 0.000000       0.000000 322.4641 12.99439 ?        ?        0.000000       12.99439 
1 1 1 -2  35 5  o 327.8609 11.82968 3193.179       227.0914 2926.602       275.1165 3763.174       402.2920 312.6110 15.05011 352.1248 19.55706 -39.51382      24.67761 
1 1 1 -2  35 6  o 376.6046 11.30843 4208.004       249.4860 4112.114       304.6802 4403.138       434.6340 371.1257 14.02344 380.9118 19.52089 -9.786041      24.03585 
1 1 1 -2  35 7  o 283.5488 11.27568 2387.172       187.1346 2302.845       214.6704 2654.081       381.9175 277.8465 13.21182 293.8445 22.32878 -15.99796      25.94469 
1 1 1 -2  35 8  f 64.07063 23.64759 103.7888       117.3414 3.347277       124.6073 890.4855       348.7309 52.72300 22.58529 161.8699 37.47477 -109.1469      43.75447 
1 1 1 -2  35 9  o 135.0341 16.81408 555.9589       130.2814 584.3486       140.1191 374.8148       353.9388 138.2132 17.69120 111.0255 41.05358 27.18776       44.70319 
1 1 1 -2  35 10 o 45.42875 20.95383 -92.00214      129.8717 -135.2551      139.9374 176.6210       348.7367 44.66495 20.98113 95.10439 39.04462 -50.43944      44.32482 
1 1 1 -2  35 11 o 209.8770 11.04163 1310.166       135.4310 1406.023       151.6816 933.3422       300.7395 217.1792 11.95481 168.4926 31.59440 48.68660       33.78052 
1 1 1 -2  35 12 o 135.5944 16.12222 560.2245       125.7013 464.2816       139.8691 963.1370       286.6294 121.9215 20.27260 172.1060 29.45548 -50.18441      35.75757 
1 1 1 -2  35 13 o 390.9143 8.288727 4513.427       190.0290 4330.783       222.1978 5010.790       366.6690 382.2069 9.921059 408.0891 15.34770 -25.88211      18.27510 
1 1 1 -2  35 14 o 110.0589 20.68718 382.5398       128.6287 300.4091       138.1422 917.9708       352.7161 96.27538 24.42987 161.9432 37.82497 -65.66786      45.02829 
1 1 1 -2  35 15 o 167.8685 13.69755 849.8401       133.6824 755.1489       142.1479 1574.541       393.2466 157.5280 15.59050 217.6803 31.73657 -60.15231      35.35921 
1 1 1 -2  35 16 o 244.3753 10.44913 1779.018       149.4115 1866.659       162.4429 1297.585       380.7271 250.0822 11.10329 194.0418 34.73084 56.04036       36.46251 
1 1 1 -2  35 17 f 325.2333 7.965472 3129.742       151.9347 2851.657       179.1286 3842.775       286.8342 309.5544 9.879478 357.0139 13.72476 -47.45947      16.91074 
1 1 1 -2  35 18 o 143.1669 14.89924 627.5632       123.2720 630.7990       142.0995 617.7214       247.8180 142.4903 17.36227 132.6627 32.18439 9.827591       36.56889 
1 1 1 -2  35 19 o 303.9601 8.458733 2744.026       150.6433 3059.500       192.3538 2243.615       242.2606 320.0224 10.26200 270.9201 15.30953 49.10226       18.43069 
1 1 1 -2  35 20 o 210.4142 9.356247 1321.327       115.1701 1206.958       145.7193 1511.666       187.9873 199.7139 12.50383 222.4427 14.48870 -22.72879      19.13814 
1 1 1 -2  35 21 o 37.19413 17.25814 -66.99532      90.05949 56.36136       126.3267 -194.4860      128.4260 57.32747 23.51356 37.98508 18.43251 19.34239       29.87716 
1 1 1 -2  35 22 o 210.0712 8.405040 1314.658       103.3426 1484.277       140.1084 1112.274       153.0437 222.1238 10.78746 190.6700 13.77914 31.45372       17.49954 
1 1 1 -2  35 23 o 41.50831 18.03380 -2.696000      81.66407 -85.93569      137.3181 42.85382       101.5795 46.08286 21.35759 51.38474 21.08154 -5.301880      30.00963 
1 1 1 -2  35 24 o 104.3152 14.05418 338.5030       83.79581 226.0356       133.4894 411.6406       107.6475 81.18049 25.30924 114.0057 16.58608 -32.82523      30.25980 
1 1 1 -2  35 25 f 68.52941 24.66966 148.0040       126.5625 170.3795       134.2784 -30.07654      378.8157 72.20566 25.47263 76.61068 35.49467 -4.405022      43.68898 
1 1 1 -2  35 26 o 208.0221 8.847072 1297.089       107.6879 1164.797       156.7624 1415.302       148.1865 194.0645 13.86487 215.5374 11.76755 -21.47290      18.18543 
1 1 1 -2  35 27 o 192.4672 9.101438 1113.093       102.4437 1061.845       158.1158 1150.169       134.4894 184.4214 14.74150 194.0303 11.87554 -9.608932      18.92988 
1 1 1 -2  35 28 o 158.7148 10.01449 762.7034       92.74211 676.9717       149.0996 816.8053       118.4437 144.5860 17.96992 162.8674 12.49560 -18.28137      21.88739 
1 1 1 -2  35 29 f 87.01317 16.20729 245.7534       79.66526 290.6377       145.6775 226.6036       95.15409 88.92545 26.17792 81.58901 20.03492 7.336441       32.96485 
1 1 1 -2  35 30 o 95.33753 13.58020 286.8130       73.78697 281.9050       74.98525 436.7068       414.3961 94.31300 13.97927 95.81220 41.11811 -1.499207      43.42947 
1 1 1 -2  35 31 o 77.58115 17.84819 201.7312       79.51732 206.6125       80.93842 66.37413       426.2131 78.47141 17.97421 78.10864 36.66750 0.3627701      40.83599 
1 1 1 -2  35 32 o 181.7047 9.867412 1003.584       104.7580 1039.575       107.6591 362.6472       454.3217 184.8774 9.966088 89.90276 40.58138 94.97468       41.78721 
1 1 1 -2  35 33 o 74.96237 21.33949 198.9435       98.30495 185.5240       100.3123 524.2211       493.8710 72.28478 21.83108 95.16604 42.68808 -22.88126      47.94651 
1 1 1 -2  35 34 o 42.98204 19.29418 -16.96793      101.0928 -55.45559      102.7768 1128.702       560.7431 39.93874 18.49860 120.4395 49.48496 -80.50079      52.82953 
1 1 1 -2  35 35 o 65.76182 23.22629 151.2905       111.6648 141.9364       114.1213 361.5807       541.0995 64.35876 23.39035 86.89500 40.95447 -22.53623      47.16330 
1 1 1 -2  36 1  o 149.2457 14.78598 672.1688       127.7209 635.3806       135.6630 959.0558       378.8458 144.6321 16.27580 166.7426 39.37441 -22.11047      42.60571 
1 1 1 -2  36 2  o 233.3482 11.40285 1619.291       155.5792 1619.291       155.5792 0.000000       0.000000 233.3482 11.40285 ?        ?        0.000000       11.40285 
1 1 1 -2  36 3  o 125.5399 19.18537 487.4010       136.7777 487.4010       136.7777 0.000000       0.000000 125.5399 19.18537 ?        ?        0.000000       19.18537 
1 1 1 -2  36 4  o 300.1245 11.30447 2676.195       198.6210 2783.214       237.5337 2427.435       362.1465 305.3175 13.29737 280.6437 22.18312 24.67380       25.86331 
1 1 1 -2  36 5  o 229.5271 11.66468 1568.469       156.5060 1568.469       156.5060 0.000000       0.000000 229.5271 11.66468 ?        ?        0.000000       11.66468 
1 1 1 -2  36 6  o 160.2570 14.71263 774.7364       136.7377 710.8838       148.0856 1144.107       356.1682 152.8035 16.80142 185.4502 34.00000 -32.64673      37.92476 
1 1 1 -2  36 7  o 299.2028 11.10769 2660.506       194.5742 2664.544       226.6693 2649.196       379.3084 298.7115 12.96959 292.8015 22.25533 5.910034       25.75869 
1 1 1 -2  36 8  o 225.7960 10.78430 1515.993       142.3972 1505.894       154.2291 1574.337       370.7113 224.7539 11.74132 220.8498 29.34691 3.904175       31.60855 
1 1 1 -2  36 9  o 224.2803 10.96940 1497.069       143.8484 1461.893       155.4474 1706.741       379.5153 221.2961 12.02245 230.1867 28.73667 -8.890518      31.15021 
1 1 1 -2  36 10 o 182.2006 12.49676 994.4189       132.7272 1007.918       142.7028 907.8672       361.3407 183.1599 13.37693 160.5687 38.80609 22.59114       41.04699 
1 1 1 -2  36 11 o 151.4216 14.65779 694.6943       128.5429 824.2898       142.3899 123.9177       298.8253 164.9766 14.87620 85.63019 35.73678 79.34642       38.70942 
1 1 1 -2  36 12 o 47.84075 21.81029 -70.98514      135.2586 -20.94732      140.7915 -670.3506      487.2738 53.07521 23.35293 72.16239 35.21567 -19.08718      42.25521 
1 1 1 -2  36 13 o 216.9084 9.832230 1399.663       124.7522 1273.960       140.5680 1865.874       270.7099 206.3136 11.66490 246.0005 18.90864 -39.68681      22.21726 
1 1 1 -2  36 14 o 141.3206 14.90003 609.7805       121.6367 533.6676       129.6335 1170.220       351.7649 131.2209 17.26302 183.8515 33.87149 -52.63063      38.01696 
1 1 1 -2  36 15 f 227.9565 9.285266 1545.989       123.8760 1498.914       144.1394 1679.002       242.2888 223.7996 11.01563 233.1782 17.85297 -9.378555      20.97790 
1 1 1 -2  36 16 o 68.98010 24.14467 142.9167       120.4786 104.0047       128.6488 420.4052       343.5475 64.14469 24.52597 108.2151 40.36435 -44.07041      47.23138 
1 1 1 -2  36 17 f 145.4079 13.59336 644.9010       114.5784 758.9815       139.6930 410.3731       200.2931 157.0334 15.36451 107.9573 30.36759 49.07613       34.03320 
1 1 1 -2  36 18 o 117.7612 16.85207 435.0069       113.0734 469.7025       138.0267 364.2091       197.1676 120.8373 20.18824 101.3839 30.60389 19.45341       36.66283 
1 1 1 -2  36 19 o 51.36574 21.80787 21.89872       114.3504 4.085413       133.2307 71.72931       222.8332 52.90413 23.00904 70.83150 30.26918 -17.92737      38.02156 
1 1 1 -2  36 20 o 129.6258 15.07030 521.4109       112.4347 583.0083       138.7767 403.7384       191.8107 135.7153 17.86935 106.1491 29.66704 29.56625       34.63303 
1 1 1 -2  36 21 o 120.5393 17.09576 459.6516       117.4694 499.6221       200.8519 438.8715       144.8206 118.2436 29.15117 114.9500 22.28643 3.293625       36.69435 
1 1 1 -2  36 22 o 164.4728 10.23045 814.9271       98.19369 983.3911       136.9938 636.9241       140.8189 179.2430 13.12285 141.8328 17.28572 37.41020       21.70265 
1 1 1 -2  36 23 f 75.34143 18.94761 187.3791       83.62827 151.1558       120.9097 220.6014       115.7927 68.75573 24.17847 80.33035 23.25249 -11.57462      33.54515 
1 1 1 -2  36 24 o 30.88479 14.83616 -103.0316      78.20711 -104.1777      124.9354 -102.2931      100.2863 41.92767 19.73564 36.61966 17.36969 5.308010       26.29072 
1 1 1 -2  36 25 o 37.14458 16.89083 -36.10492      80.47301 -284.9129      150.0894 64.27917       95.33455 37.79710 18.66230 52.70119 20.83777 -14.90408      27.97310 
1 1 1 -2  36 26 o 198.5330 9.243908 1186.115       107.3359 1166.598       165.9190 1200.162       140.7573 193.1321 14.76026 197.8608 12.18916 -4.728699      19.14265 
1 1 1 -2  36 27 o 78.58404 17.47012 203.9424       78.43050 172.7745       142.1976 217.5700       94.02610 71.61397 26.09726 80.00007 20.07523 -8.386101      32.92540 
1 1 1 -2  36 28 o 87.58865 16.35882 249.8647       80.94362 62.50338       141.5942 340.8153       98.65262 58.01565 24.43083 102.2223 17.05616 -44.20661      29.79560 
1 1 1 -2  36 29 o 102.4611 14.20335 333.1831       83.05699 151.8326       144.7054 422.2810       101.4283 68.22845 26.03008 114.7756 15.46096 -46.54719      30.27551 
1 1 1 -2  36 30 o 117.4001 11.30260 425.0847       76.86040 435.6158       78.11263 104.5019       430.9767 118.8347 11.34554 79.41809 37.15004 39.41666       38.84387 
1 1 1 -2  36 31 o 128.0912 11.81833 508.6158       87.78173 523.3152       89.35905 103.2327       469.2700 129.9182 11.85843 79.76979 37.75937 50.14844       39.57767 
1 1 1 -2  36 32 o 33.93850 15.94390 -66.53117      80.84225 -79.80291      81.90572 434.6175       503.3078 33.14973 15.71611 91.11377 41.74009 -57.96404      44.60079 
1 1 1 -2  36 33 o 114.2292 14.36123 417.0921       94.08840 410.2332       95.48554 646.3434       552.0329 113.0224 14.75744 97.96119 44.42497 15.06123       46.81197 
1 1 1 -2  37 1  o 174.2457 22.89313 953.2198       228.2935 953.2198       228.2935 0.000000       0.000000 174.2457 22.89313 ?        ?        0.000000       22.89313 
1 1 1 -2  37 2  o 212.3771 12.02121 1347.276       149.1179 1170.570       158.6447 2687.407       436.8914 197.3333 13.79490 291.5527 25.81746 -94.21944      29.27184 
1 1 1 -2  37 3  o 187.5491 12.71305 1054.119       139.0083 919.2720       149.2661 1935.300       381.5685 174.4342 14.72829 246.3154 26.84783 -71.88123      30.62236 
1 1 1 -2  37 4  o 209.9598 10.84242 1312.802       133.0575 1168.945       142.3781 2304.878       373.8958 197.6361 12.34528 271.1977 23.74729 -73.56157      26.76452 
1 1 1 -2  37 5  o 50.29475 22.68310 -57.23886      141.5897 -57.23886      141.5897 0.000000       0.000000 50.29475 22.68310 ?        ?        0.000000       22.68310 
1 1 1 -2  37 6  o 411.2952 14.88871 5093.152       358.5454 5093.152       358.5454 0.000000       0.000000 411.2952 14.88871 ?        ?        0.000000       14.88871 
1 1 1 -2  37 7  o 96.21287 23.41874 299.6449       130.8799 299.6449       130.8799 0.000000       0.000000 96.21287 23.41874 ?        ?        0.000000       23.41874 
1 1 1 -2  37 8  o 264.3704 9.636791 2075.658       149.1655 2140.175       163.1136 1746.087       368.6632 268.1795 10.39051 232.1621 27.61684 36.01738       29.50682 
1 1 1 -2  37 9  o 42.64486 19.56917 -69.03970      111.2645 -90.64662      117.5256 117.6932       345.4987 42.40212 19.68849 88.31824 37.71493 -45.91611      42.54471 
1 1 1 -2  37 10 o 88.86597 21.95982 255.9377       113.7803 273.1096       120.4867 114.4407       345.8623 91.64756 22.56848 87.68446 37.59604 3.963104       43.84973 
1 1 1 -2  37 11 o 156.3848 13.42769 740.8929       121.9624 690.6941       134.6535 970.1714       287.7743 150.1538 15.51397 169.4670 30.05495 -19.31326      33.82282 
1 1 1 -2  37 12 o 201.5643 11.34351 1218.454       133.5535 1249.687       139.3017 863.2679       469.7642 203.9983 11.69237 143.9610 47.72885 60.03732       49.14015 
1 1 1 -2  37 13 o 179.7497 11.03471 969.6791       115.7661 907.6172       128.9741 1226.982       262.6104 173.2002 12.78724 194.9862 23.43358 -21.78603      26.69544 
1 1 1 -2  37 14 o 104.2758 20.58681 351.8138       121.4289 301.8778       130.2863 682.0665       335.0540 95.28214 23.47118 132.3021 39.88559 -37.01998      46.27912 
1 1 1 -2  37 15 o 125.6629 16.82664 493.9863       120.8957 538.9282       129.2520 179.7459       341.7771 131.1478 17.22013 88.67963 37.67803 42.46819       41.42664 
1 1 1 -2  37 16 f 113.7561 17.33827 408.5192       112.0210 344.1073       132.8669 566.8544       208.3159 101.7144 22.83438 127.6037 28.55094 -25.88930      36.55906 
1 1 1 -2  37 17 o 163.6671 13.48414 818.8082       128.2830 872.5037       139.4911 524.3836       326.6364 168.5913 14.24091 114.5215 39.77682 54.06980       42.24925 
1 1 1 -2  37 18 o 145.3409 13.09601 646.0592       110.4331 610.9539       133.5476 721.9748       196.3880 139.5743 16.64220 147.4804 23.49288 -7.906113      28.79024 
1 1 1 -2  37 19 o 89.52150 23.76955 272.9126       126.8735 110.5703       169.7956 478.1325       190.9064 68.20512 27.52442 116.0914 28.30005 -47.88625      39.47767 
1 1 1 -2  37 20 o 55.90713 21.90710 74.02717       104.5390 99.16240       131.6370 31.10652       172.0164 62.60944 24.56822 60.63870 26.26001 1.970734       35.96089 
1 1 1 -2  37 21 o 151.2742 14.55264 710.8553       127.5180 542.5043       199.3286 827.4895       165.9108 122.8512 28.25524 161.1222 17.85719 -38.27103      33.42510 
1 1 1 -2  37 22 o 67.89826 21.72378 152.8191       97.76512 256.9761       141.2659 57.07676       135.4396 85.15340 25.94652 57.62766 24.05534 27.52574       35.38194 
1 1 1 -2  37 23 o 39.74646 18.59670 -82.88499      108.0968 -273.5057      203.8916 -8.357660      127.4888 47.20012 22.97733 49.75507 22.04218 -2.554951      31.84048 
1 1 1 -2  37 24 o 135.7609 11.95987 565.9080       94.25258 425.1224       135.5191 697.8097       131.1737 112.1507 21.38409 148.8662 15.23933 -36.71552      26.25865 
1 1 1 -2  37 25 o 104.0906 14.69349 343.0356       87.20693 192.6834       136.2948 447.2570       113.4757 74.43723 25.70250 117.7707 16.91381 -43.33346      30.76841 
1 1 1 -2  37 26 o 88.00985 16.19386 251.4850       80.50661 76.71941       131.9484 355.1271       101.6118 58.49580 24.01613 104.3644 17.19992 -45.86862      29.54000 
1 1 1 -2  37 27 o 206.6393 8.734042 1285.160       105.6083 1347.974       153.5179 1228.729       145.5092 208.7828 12.59617 199.3779 12.50709 9.404892       17.75080 
1 1 1 -2  37 28 o 166.5405 10.15180 844.3633       98.68369 713.1765       152.2769 939.3507       129.5752 147.3833 17.98949 173.8456 12.79861 -26.46231      22.07774 
1 1 1 -2  37 29 o 120.8348 20.34935 497.1290       139.0906 554.3944       147.4588 35.10927       418.8462 127.6966 20.37400 76.09541 35.91562 51.60117       41.29203 
1 1 1 -2  37 30 o 31.97048 14.92944 -53.19623      69.11255 -40.94164      69.83382 -637.2717      482.1152 33.36122 15.37965 62.41788 31.24105 -29.05667      34.82150 
1 1 1 -2  37 31 o 118.4748 11.92959 437.0872       81.76265 435.7601       82.79017 489.5566       520.5798 118.1870 12.11555 92.72280 42.46711 25.46424       44.16154 
1 1 1 -2  37 32 o 49.21019 19.20440 63.07764       80.06598 59.18239       80.92141 244.4007       552.1054 48.69963 19.21602 84.00616 40.10188 -35.30652      44.46815 
1 1 1 -2  38 1  o 104.0287 31.35129 368.6200       207.0363 368.6200       207.0363 0.000000       0.000000 104.0287 31.35129 ?        ?        0.000000       31.35129 
1 1 1 -2  38 2  o 51.33468 22.69541 -24.44853      134.4851 -24.44853      134.4851 0.000000       0.000000 51.33468 22.69541 ?        ?        0.000000       22.69541 
1 1 1 -2  38 3  o 294.4732 11.70085 2594.575       201.6733 2661.450       234.7692 2406.272       393.9482 297.2730 13.50113 274.2824 24.75631 22.99060       28.19850 
1 1 1 -2  38 4  o 286.9946 12.73983 2474.859       213.8967 2474.859       213.8967 0.000000       0.000000 286.9946 12.73983 ?        ?        0.000000       12.73983 
1 1 1 -2  38 5  o 93.24409 24.07903 286.1505       132.5887 286.1505       132.5887 0.000000       0.000000 93.24409 24.07903 ?        ?        0.000000       24.07903 
1 1 1 -2  38 6  f 128.2268 17.10918 510.5665       125.4565 553.4117       133.1786 172.9174       373.8663 133.4386 17.43431 92.62261 39.38224 40.81602       43.06873 
1 1 1 -2  38 7  o 277.5327 11.87507 2311.090       192.8394 2426.398       224.4829 1986.379       376.7051 283.4241 13.54424 246.4801 26.47415 36.94395       29.73764 
1 1 1 -2  38 8  o 136.9796 15.73829 578.2441       124.1397 518.7455       131.1398 1091.345       385.1080 128.7747 17.84298 170.9517 39.24266 -42.17693      43.10868 
1 1 1 -2  38 9  f 52.14746 21.67184 33.51390       109.2278 -11.00458      114.4912 484.5722       364.4336 48.26677 21.15365 113.5328 41.71387 -65.26601      46.77097 
1 1 1 -2  38 10 f 47.09072 20.82768 -19.90202      113.3734 4.612977       120.9859 -196.5234      324.7435 51.04272 22.06369 67.98573 31.94411 -16.94301      38.82309 
1 1 1 -2  38 11 o 38.84098 18.19339 -90.76093      103.9448 -97.20255      113.4173 -56.95829      259.8106 40.58621 19.00875 67.01878 30.42608 -26.43258      35.87589 
1 1 1 -2  38 12 o 120.1776 16.07302 450.3000       110.4469 485.1557       121.6836 287.2907       263.1487 124.3219 17.14514 92.89085 35.18120 31.43108       39.13659 
1 1 1 -2  38 13 o 103.9872 20.82928 353.0314       122.5977 344.4301       128.0263 448.0521       425.5247 102.1146 22.02575 108.4928 43.64676 -6.378151      48.88940 
1 1 1 -2  38 14 o 157.1445 12.32120 750.1509       112.6467 656.4352       126.5060 1108.934       247.5262 145.7144 15.01813 183.6121 23.52616 -37.89764      27.91101 
1 1 1 -2  38 15 o 146.9352 13.17307 660.3826       112.3144 569.0119       129.9857 929.5701       223.1102 134.5639 16.83846 167.8496 23.29142 -33.28566      28.74063 
1 1 1 -2  38 16 o 75.88512 22.45652 191.8210       106.9708 80.44262       129.0665 436.1888       191.1766 60.25782 24.10778 110.3580 29.12008 -50.10022      37.80428 
1 1 1 -2  38 17 o 67.51807 22.51385 146.3911       104.4907 100.1379       129.0762 234.3352       177.9831 62.56780 24.39334 82.93192 29.32021 -20.36412      38.14066 
1 1 1 -2  38 18 o 169.3619 11.39569 870.1437       112.5308 988.4675       136.1695 615.2752       199.8489 179.6656 13.01118 132.8043 26.58722 46.86127       29.60019 
1 1 1 -2  38 19 o 128.6448 14.42689 515.5358       106.9736 518.2263       128.9507 509.5979       191.5710 127.1288 17.78098 119.0179 27.92868 8.110924       33.10852 
1 1 1 -2  38 20 o 118.1379 15.51101 440.7726       104.8746 528.5427       127.1725 254.2006       185.4144 128.4445 17.32337 84.16038 29.90938 44.28411       34.56400 
1 1 1 -2  38 21 o 61.38533 22.17406 115.2082       102.3574 90.42001       128.0500 159.0795       170.3520 60.37849 24.06046 72.09339 28.04717 -11.71490      36.95334 
1 1 1 -2  38 22 o 110.5129 16.23203 390.7454       102.0720 494.4208       134.5868 250.3716       156.6057 122.5268 19.37257 83.11892 27.55783 39.40791       33.68576 
1 1 1 -2  38 23 o 66.00220 21.21602 145.7057       93.16941 63.16804       131.7017 228.3933       131.8213 57.24093 23.79361 80.03964 25.17949 -22.79871      34.64307 
1 1 1 -2  38 24 o 142.0337 12.19996 622.5287       100.6414 525.7450       143.0036 717.5060       141.6627 125.3007 20.14252 149.6732 16.40700 -24.37247      25.97904 
1 1 1 -2  38 25 o 205.9444 9.445182 1281.681       113.7766 1230.377       151.7953 1347.459       171.8786 199.1021 13.07197 207.3587 14.21954 -8.256699      19.31507 
1 1 1 -2  38 26 o 190.1538 10.65554 1103.776       118.3561 943.8725       207.9259 1180.422       143.9533 165.7818 21.92237 195.1144 12.64819 -29.33264      25.30943 
1 1 1 -2  38 27 o 136.9220 17.10185 611.2672       134.3442 538.3621       142.6672 1181.979       399.1661 126.2242 19.93308 153.8766 42.71978 -27.65237      47.14136 
1 1 1 -2  38 28 o 53.01225 22.69675 40.48379       125.7136 50.37074       131.5998 -62.67974      425.0963 54.81330 23.33772 72.56802 34.78850 -17.75473      41.89140 
1 1 1 -2  38 29 o 55.60329 23.66249 55.68176       135.1727 126.9406       140.9642 -758.4631      476.4753 64.06403 25.33600 59.84936 30.10691 4.214676       39.34894 
1 1 1 -2  38 30 o 134.3120 10.18538 552.4063       79.63296 566.7704       80.43479 -157.3044      565.3844 136.0741 10.15217 75.04495 36.89178 61.02917       38.26316 
1 1 1 -2  38 31 o 112.7739 13.35489 403.3232       86.61592 413.9298       87.58738 -66.88245      583.1752 114.2860 13.31687 76.50629 37.58170 37.77972       39.87133 
1 1 1 -2  39 1  o 108.3000 19.34016 374.6933       118.3319 358.3265       125.2898 509.8925       360.0990 105.1026 21.06039 115.2283 41.59513 -10.12572      46.62290 
1 1 1 -2  39 2  o 192.2513 11.64576 1112.742       130.6910 1094.160       138.8619 1256.844       386.6980 190.2530 12.51468 184.9127 36.95106 5.340225       39.01279 
1 1 1 -2  39 3  o 83.08641 24.98026 229.4572       131.5549 229.4572       131.5549 0.000000       0.000000 83.08641 24.98026 ?        ?        0.000000       24.98026 
1 1 1 -2  39 4  o 124.9941 19.47788 497.6093       138.1329 497.6093       138.1329 0.000000       0.000000 124.9941 19.47788 ?        ?        0.000000       19.47788 
1 1 1 -2  39 5  o 322.3088 11.70058 3124.265       220.8050 3074.603       253.3621 3281.110       450.2586 318.3428 13.60186 317.4971 24.36710 0.8457642      27.90638 
1 1 1 -2  39 6  o 127.2896 17.46185 508.9376       126.9246 508.9376       126.9246 0.000000       0.000000 127.2896 17.46185 ?        ?        0.000000       17.46185 
1 1 1 -2  39 7  o 168.8224 13.05427 866.6880       128.2474 942.0848       134.9485 163.5762       412.1011 175.9952 13.16975 91.66799 40.15506 84.32719       42.25956 
1 1 1 -2  39 8  o 237.1200 9.820931 1681.510       136.2794 1706.256       144.1931 1474.444       417.1013 238.6160 10.32818 198.5810 37.18016 40.03505       38.58802 
1 1 1 -2  39 9  o 266.0414 9.547067 2114.712       148.7185 2158.186       159.5052 1825.515       411.3977 268.4423 10.14977 227.4047 31.70798 41.03763       33.29285 
1 1 1 -2  39 10 o 235.5840 9.770219 1661.062       134.6967 1706.771       144.2538 1349.989       376.3206 238.5223 10.33666 191.5645 34.77639 46.95778       36.28008 
1 1 1 -2  39 11 f 103.0938 18.71551 342.0803       108.9915 305.0506       118.8761 537.3780       273.0031 95.89011 21.65232 117.8974 36.09832 -22.00731      42.09408 
1 1 1 -2  39 12 o 229.8452 9.891449 1583.604       133.0234 1626.886       149.7142 1421.311       289.9082 232.3660 11.01739 206.7814 24.37324 25.58458       26.74767 
1 1 1 -2  39 13 o 155.0536 12.62724 733.3969       113.8330 758.7755       124.8789 608.6791       276.8339 157.2092 13.68052 125.0075 35.88270 32.20166       38.40215 
1 1 1 -2  39 14 o 118.7456 16.06248 443.5899       108.9957 423.6669       122.5410 519.0587       238.4996 114.5744 18.89463 116.9616 33.21949 -2.387253      38.21703 
1 1 1 -2  39 15 o 120.8588 15.85813 459.5268       109.6946 486.3057       127.6835 384.0666       214.3369 123.0975 18.23709 101.0576 32.14730 22.03986       36.95998 
1 1 1 -2  39 16 o 159.2399 11.72428 772.1259       108.7258 870.7817       130.7981 551.5327       195.5853 168.2454 13.36562 124.4594 27.52638 43.78608       30.59970 
1 1 1 -2  39 17 o 87.59564 20.27638 256.8849       102.1049 243.9646       124.8981 282.9181       177.2903 83.71756 24.12422 88.06454 29.32508 -4.346977      37.97286 
1 1 1 -2  39 18 o 106.2854 17.43820 364.8828       104.9327 375.7083       125.3072 339.4732       191.9786 105.8546 20.92635 94.78847 30.45326 11.06615       36.95015 
1 1 1 -2  39 19 o 107.9433 17.21207 375.9750       105.3063 462.3668       122.7214 134.7250       205.0775 119.3735 18.09584 71.94878 29.77983 47.42472       34.84677 
1 1 1 -2  39 20 o 39.40998 18.34866 -71.21246      103.1530 -56.04685      120.9125 -111.7649      197.7196 44.33473 20.36503 53.42849 25.04739 -9.093765      32.28167 
1 1 1 -2  39 21 o 152.1468 12.11768 712.0256       107.2339 712.8257       130.1557 710.3346       189.2081 150.4417 14.94936 143.6145 23.25903 6.827271       27.64897 
1 1 1 -2  39 22 o 45.28138 19.87155 -0.2078089     101.3345 69.87679       131.4783 -102.7569      159.0408 57.67905 23.85637 47.71960 22.40067 9.959454       32.72486 
1 1 1 -2  39 23 o 62.34647 21.54461 127.5269       95.77212 90.65818       132.5675 167.7764       138.5125 59.99603 24.28144 70.29703 25.73503 -10.30100      35.38192 
1 1 1 -2  39 24 o 41.04423 18.37175 -18.18047      90.94608 22.25975       132.4578 -54.24829      125.0924 52.49663 22.88543 44.76476 20.61769 7.731873       30.80312 
1 1 1 -2  39 25 f 82.53241 18.25205 229.2752       85.99861 157.2355       133.9536 279.7870       112.1669 68.18356 25.24798 89.24915 21.65300 -21.06558      33.26128 
1 1 1 -2  39 26 o 103.9273 14.23748 344.2585       84.49995 217.9061       138.4335 419.2932       106.6794 76.71027 25.91729 113.3702 16.53099 -36.65991      30.74052 
1 1 1 -2  39 27 o 76.43745 18.78864 200.2299       83.62153 353.1821       141.8301 118.7311       103.5300 97.53131 24.75668 60.57106 22.23692 36.96025       33.27723 
1 1 1 -2  39 28 f 85.97514 20.05633 257.1581       99.26780 338.2305       244.5157 241.1590       108.6220 87.66547 33.73785 81.90237 22.10446 5.763100       40.33422 
1 1 1 -2  39 29 o 48.47354 22.15839 -32.79266      140.8328 -0.5798985     144.5324 -637.9655      626.4565 51.51468 23.10151 68.81074 34.60251 -17.29606      41.60545 
1 1 1 -2  40 1  o 59.82809 24.13985 73.24149       130.5811 73.24149       130.5811 0.000000       0.000000 59.82809 24.13985 ?        ?        0.000000       24.13985 
1 1 1 -2  40 2  o 154.9087 14.23268 737.4194       127.8603 689.8301       133.6650 1249.912       438.6382 149.1574 15.50601 173.9673 43.19194 -24.80994      45.89096 
1 1 1 -2  40 3  o 254.1622 9.646440 1932.286       143.5289 1821.880       151.5544 2892.700       446.9946 246.3281 10.51488 293.7490 26.22171 -47.42091      28.25138 
1 1 1 -2  40 4  o 183.0964 13.60961 1024.898       145.0973 1024.898       145.0973 0.000000       0.000000 183.0964 13.60961 ?        ?        0.000000       13.60961 
1 1 1 -2  40 5  o 116.6368 21.29138 445.8258       140.2782 445.8258       140.2782 0.000000       0.000000 116.6368 21.29138 ?        ?        0.000000       21.29138 
1 1 1 -2  40 6  f 198.8177 11.38294 1193.809       132.1726 1212.552       138.7122 1008.975       435.5998 200.1237 11.87194 151.0347 45.46599 49.08897       46.99041 
1 1 1 -2  40 7  o 219.8358 10.83122 1455.289       139.2154 1399.819       146.6122 1963.776       443.8972 215.1473 11.66301 231.9887 33.60345 -16.84143      35.56990 
1 1 1 -2  40 8  o 216.8540 10.34332 1413.330       131.1669 1349.340       137.2192 2091.088       446.5787 211.4869 11.10209 240.6620 32.46771 -29.17505      34.31339 
1 1 1 -2  40 9  o 155.4344 14.30388 745.2674       128.9309 729.9730       135.0569 902.4799       433.0057 153.3265 15.21998 140.3863 45.78741 12.94017       48.25074 
1 1 1 -2  40 10 o 119.2882 17.62920 453.5435       119.6230 512.7216       125.6169 -122.5458      391.9337 127.1306 17.29610 75.00687 35.19574 52.12370       39.21601 
1 1 1 -2  40 11 o 196.1503 11.41485 1165.637       130.7462 1177.502       143.0047 1105.193       322.7635 196.5439 12.47055 172.3411 33.13671 24.20280       35.40559 
1 1 1 -2  40 12 o 60.39656 23.21765 97.01672       115.7101 111.7190       126.5782 22.26142       285.4220 63.54531 24.32010 72.03569 32.37109 -8.490376      40.48895 
1 1 1 -2  40 13 o 111.4897 18.08833 401.4050       114.2229 443.2502       126.0801 209.7998       269.7911 116.6892 19.08215 83.11998 34.25603 33.56923       39.21230 
1 1 1 -2  40 14 o 50.38952 21.57364 21.30715       113.5779 54.58760       127.7423 -104.2914      248.1604 56.29854 23.42015 60.80867 28.36098 -4.510136      36.78108 
1 1 1 -2  40 15 o 156.0488 16.50390 772.1447       148.7558 612.1822       183.7991 1075.882       253.2698 133.0672 24.45250 176.3725 25.20071 -43.30534      35.11411 
1 1 1 -2  40 16 o 171.1404 11.22887 891.6373       112.0814 851.7036       131.1815 999.6055       215.7001 165.8356 13.60747 173.0457 21.73199 -7.210022      25.64065 
1 1 1 -2  40 17 o 95.25394 19.26305 301.5378       103.9090 134.2496       124.4091 687.4368       188.9541 65.70367 24.33147 141.3822 23.62099 -75.67853      33.91123 
1 1 1 -2  40 18 o 54.14488 21.70933 66.71810       104.8980 102.3769       122.1698 -33.32969      204.6371 60.94730 23.74026 58.77728 26.80800 2.170013       35.80878 
1 1 1 -2  40 19 f 138.6209 13.56120 599.3807       108.8409 652.4180       128.0598 461.3830       206.5655 143.4196 15.46929 108.2534 30.97131 35.16623       34.61967 
1 1 1 -2  40 20 o 44.02980 19.66840 -16.80251      103.6775 -65.49555      121.8722 110.7375       197.2398 43.52381 20.15381 68.00919 28.74703 -24.48538      35.10794 
1 1 1 -2  40 21 o 90.90992 20.18822 282.2697       104.8336 308.0077       124.9454 221.0607       192.6817 93.21336 22.99904 78.19079 29.98560 15.02258       37.79010 
1 1 1 -2  40 22 o 52.42089 21.18305 62.46420       100.7196 -31.53697      128.5197 212.0968       162.1497 47.13214 21.39837 76.25327 27.85570 -29.12113      35.12592 
1 1 1 -2  40 23 o 93.36204 18.26303 291.7500       96.41515 271.9767       136.4320 311.4767       136.2713 85.56707 25.37111 92.06609 24.71976 -6.499016      35.42258 
1 1 1 -2  40 24 o 80.40842 19.78732 223.1235       92.66801 111.0717       136.9203 317.8330       125.8795 62.19419 24.84794 94.07716 23.00879 -31.88297      33.86480 
1 1 1 -2  40 25 o 158.1715 10.51357 766.4283       96.97429 677.9916       133.2241 866.0921       141.4280 144.7895 15.95309 164.8421 14.78597 -20.05263      21.75146 
1 1 1 -2  40 26 o 139.4568 11.89219 604.2090       96.33691 415.5552       140.7114 770.6580       132.1712 107.5196 23.00976 155.4186 14.67424 -47.89905      27.29070 
1 1 1 -2  40 27 o 60.95697 20.34308 126.0823       85.30914 22.63305       144.4702 181.4647       105.7062 53.50076 23.59357 71.06699 22.57233 -17.56623      32.65220 
1 1 1 -2  41 1  f 165.1424 14.31938 841.6849       137.3169 926.9271       145.0799 108.4978       425.4881 173.3030 14.40425 86.87260 39.23755 86.43044       41.79794 
1 1 1 -2  41 2  o 198.6869 16.57434 1235.804       191.3752 1235.804       191.3752 0.000000       0.000000 198.6869 16.57434 ?        ?        0.000000       16.57434 
1 1 1 -2  41 3  o 154.0006 14.42642 733.5551       128.7794 609.3683       135.2554 1938.042       421.2286 138.8866 16.95633 231.0828 31.93402 -92.19617      36.15659 
1 1 1 -2  41 4  o 89.78636 23.63141 275.9593       126.1081 185.8164       134.3817 941.1341       365.0413 74.87799 25.53242 149.9513 40.54445 -75.07330      47.91405 
1 1 1 -2  41 5  o 63.48165 24.28806 110.6495       126.2185 34.11055       133.1439 789.5021       396.5225 55.30785 23.50859 131.6975 43.85620 -76.38963      49.75963 
1 1 1 -2  41 6  o 66.72833 23.89082 138.1270       118.5175 101.1165       123.6178 559.0854       416.9060 61.86723 23.94087 111.6620 43.75040 -49.79476      49.87247 
1 1 1 -2  41 7  o 82.80546 24.19536 236.3881       124.8459 249.7335       130.9362 102.8606       414.1703 84.83165 24.77599 84.91235 38.49647 -0.8070374E-01 45.78021 
1 1 1 -2  41 8  o 58.42844 22.86081 85.31771       113.6968 78.04769       117.7914 184.4673       435.0021 57.97287 23.08488 89.23312 40.04211 -31.26024      46.21993 
1 1 1 -2  41 9  o 133.0899 16.25178 560.3656       124.2238 523.2836       130.4709 920.0098       406.3206 127.5759 17.93220 139.9746 44.22970 -12.39867      47.72662 
1 1 1 -2  41 10 o 236.4295 10.08521 1685.164       139.5206 1729.103       147.7050 1321.316       425.0394 239.1872 10.55547 173.8672 42.13022 65.31992       43.43240 
1 1 1 -2  41 11 o 56.14709 22.96198 63.42554       120.0265 -68.54654      129.4279 874.1094       320.7841 45.24125 20.88543 145.2241 37.42853 -99.98280      42.86136 
1 1 1 -2  41 12 o 123.8809 17.03230 491.8321       120.4731 479.8695       130.8148 558.6425       309.1472 121.1085 19.04562 112.8402 38.71946 8.268341       43.15011 
1 1 1 -2  41 13 o 123.2528 16.93433 487.0975       119.1770 417.7327       129.4686 872.0996       305.0185 111.8561 20.49065 146.4630 35.81326 -34.60693      41.26083 
1 1 1 -2  41 14 o 58.98198 22.59960 96.67594       109.3863 14.62755       119.6143 515.8223       270.3529 50.42052 21.86616 110.1693 36.19446 -59.74875      42.28674 
1 1 1 -2  41 15 o 105.6628 20.47012 375.6342       122.2683 340.7871       127.0453 813.0524       450.1154 99.32169 22.35191 121.9811 46.05403 -22.65939      51.19161 
1 1 1 -2  41 16 o 73.46593 23.45537 187.7414       114.0182 118.2009       128.1092 452.7148       250.0704 63.40203 24.41517 103.5400 34.83351 -40.13799      42.53791 
1 1 1 -2  41 17 o 151.3921 12.91825 711.1381       113.6036 750.6958       136.1548 620.4968       206.1013 153.9270 15.28397 129.1379 28.01991 24.78908       31.91731 
1 1 1 -2  41 18 o 78.03349 23.07913 215.7804       113.0109 231.2079       134.4329 178.6098       208.6684 79.73406 25.47008 74.59385 30.36274 5.140213       39.63106 
1 1 1 -2  41 19 o 202.6050 10.41267 1249.783       123.3114 1415.531       148.6653 884.2891       220.7621 214.4887 11.86452 157.6965 24.67859 56.79214       27.38247 
1 1 1 -2  41 20 o 124.7227 15.33721 498.0290       109.8274 594.2782       129.8354 255.9190       205.9212 135.3507 16.71068 81.48241 31.06005 53.86828       35.27001 
1 1 1 -2  41 21 o 119.8723 15.25146 460.6321       104.7969 514.1438       128.9886 356.7212       179.7453 124.6131 18.18540 94.68464 29.34458 29.92850       34.52264 
1 1 1 -2  41 22 o 49.78823 20.68001 45.69234       99.38120 4.136828       134.7824 95.20309       147.1190 50.88538 22.59685 61.22733 25.27116 -10.34195      33.90058 
1 1 1 -2  41 23 o 61.20182 21.41988 125.0976       94.81882 45.33192       134.0673 204.9270       134.1208 54.44016 23.37581 74.48032 25.50486 -20.04017      34.59663 
1 1 1 -2  41 24 o 67.32034 21.10286 158.8361       92.67358 215.2010       126.0062 92.42457       136.7757 76.16415 24.68967 59.60875 24.45991 16.55540       34.75438 
1 1 1 -2  41 25 o 86.99686 18.41405 257.3789       91.01859 160.6784       131.8927 345.3033       125.7653 67.78175 25.06139 98.14253 22.35179 -30.36078      33.58089 
1 1 1 -2  41 26 o 73.46394 19.07664 187.4342       82.91089 93.00217       143.1664 235.0871       101.7011 59.88055 24.84205 81.11562 21.16015 -21.23507      32.63249 
1 1 1 -2  42 1  o 37.94431 18.49286 -205.4848      133.1336 -205.4848      133.1336 0.000000       0.000000 37.94431 18.49286 ?        ?        0.000000       18.49286 
1 1 1 -2  42 2  o 79.75224 25.73689 222.4295       137.0163 222.4295       137.0163 0.000000       0.000000 79.75224 25.73689 ?        ?        0.000000       25.73689 
1 1 1 -2  42 3  o 85.16019 24.64604 254.7826       130.0986 185.2157       137.1673 878.0385       410.5657 74.07704 25.77368 134.4336 44.62196 -60.35654      51.53060 
1 1 1 -2  42 4  o 136.5637 16.72368 593.8353       131.1502 595.0860       138.9370 583.6067       397.3334 135.9859 17.85172 111.0150 42.93197 24.97090       46.49557 
1 1 1 -2  42 5  o 77.01184 24.74137 205.4732       126.7169 90.08337       134.2085 1153.340       384.6539 61.07856 24.53287 163.7187 40.32926 -102.6401      47.20499 
1 1 1 -2  42 6  o 42.86737 19.81286 -66.65836      116.9757 -42.10126      122.3254 -329.1342      399.9198 45.88639 20.84992 66.87746 32.47000 -20.99107      38.58783 
1 1 1 -2  42 7  o 72.88265 27.87625 168.4107       166.2331 202.4863       179.6842 -33.95955      437.8865 77.48170 29.13161 78.80129 37.04724 -1.319595      47.12906 
1 1 1 -2  42 8  o 98.20541 22.44905 331.5352       126.4687 343.5864       132.4001 206.0007       427.3213 99.59997 23.11323 87.84759 39.53150 11.75238       45.79258 
1 1 1 -2  42 9  o 78.71735 24.93654 217.9332       129.0824 159.1815       134.7469 872.9753       449.9279 69.86463 25.41265 127.9767 46.45334 -58.11203      52.95013 
1 1 1 -2  42 10 o 45.86688 20.79956 -37.20784      120.9940 25.30601       126.9869 -653.0294      398.5640 52.67454 22.68554 58.43010 29.11440 -5.755562      36.90911 
1 1 1 -2  42 11 o 33.38600 16.59233 -275.0339      126.0681 -278.2842      136.8479 -256.8076      324.0630 35.40056 17.54040 61.71076 29.78417 -26.31020      34.56534 
1 1 1 -2  42 12 o 83.46062 24.26782 248.0706       125.8675 355.6155       136.5460 -359.9515      324.6712 100.5605 23.56643 58.38850 28.54808 42.17200       37.01850 
1 1 1 -2  42 13 o 41.50319 19.54474 -97.84032      122.7794 -130.3466      135.6911 48.99287       288.3898 42.01227 20.00650 71.11439 32.19394 -29.10212      37.90395 
1 1 1 -2  42 14 o 198.1416 11.31213 1200.809       130.9069 1178.497       146.9880 1286.371       287.8365 195.0715 12.92087 188.6917 26.75986 6.379807       29.71597 
1 1 1 -2  42 15 o 43.00576 20.19370 -92.60966      129.4070 -178.5297      142.9037 298.8752       305.0380 40.65451 19.65988 86.96151 36.18463 -46.30700      41.18056 
1 1 1 -2  42 16 o 153.8123 13.12169 737.4911       117.2380 573.1296       137.5761 1173.407       224.0496 131.8912 18.27649 186.4455 20.84637 -54.55434      27.72366 
1 1 1 -2  42 17 o 79.89175 22.74132 227.7636       111.6483 224.3275       134.9537 235.2162       198.7512 78.15820 25.56630 79.24572 30.43790 -1.087517      39.75048 
1 1 1 -2  42 18 o 69.39548 23.60689 168.5223       114.8670 232.5707       137.2552 18.80616       209.8499 79.23862 25.77435 61.40805 27.66214 17.83057       37.80888 
1 1 1 -2  42 19 o 77.90925 22.05140 215.6716       105.2768 326.3234       132.8692 29.03740       172.5602 94.74229 23.91442 58.00490 25.67320 36.73738       35.08579 
1 1 1 -2  42 20 o 39.76799 18.45349 -59.04975      102.9898 -61.64340      127.0376 -54.07642      175.9137 44.29202 20.53279 52.40732 24.24841 -8.115307      31.77390 
1 1 1 -2  42 21 o 105.3438 18.45558 373.4570       109.8682 448.9912       138.4641 245.0612       180.5263 113.1183 21.66002 79.15867 29.31057 33.95966       36.44538 
1 1 1 -2  42 22 o 87.45161 20.70489 268.6645       104.5374 346.1590       136.2254 157.6625       163.0376 96.88483 24.07939 68.63345 27.21436 28.25139       36.33784 
1 1 1 -2  42 23 o 48.18629 20.05556 42.16844       93.74326 69.72390       126.4662 8.563817       139.6594 55.88854 23.28053 51.61230 22.95604 4.276241       32.69500 
1 1 1 -2  42 24 o 78.60505 19.21881 214.6622       87.84590 303.7808       132.8148 145.3556       117.1249 89.78130 24.53160 64.82627 23.67557 24.95503       34.09299 
1 1 1 -2  43 1  o 56.64036 24.16177 44.09475       141.5327 44.09475       141.5327 0.000000       0.000000 56.64036 24.16177 ?        ?        0.000000       24.16177 
1 1 1 -2  43 2  o 198.8842 12.60261 1216.943       146.2419 1296.290       157.5210 721.6500       393.5543 204.8406 13.18207 119.6903 43.44576 85.15034       45.40155 
1 1 1 -2  43 3  o 67.27966 26.24574 134.0055       149.4948 134.0055       149.4948 0.000000       0.000000 67.27966 26.24574 ?        ?        0.000000       26.24574 
1 1 1 -2  43 4  o 105.4230 21.73711 379.8015       129.9296 421.3746       137.3134 24.13839       401.6303 111.1086 21.85143 77.85580 36.23402 33.25282       42.31300 
1 1 1 -2  43 5  o 136.1067 17.00353 595.6417       132.7753 539.3052       140.6242 1058.465       403.0629 127.8268 19.36376 148.1384 43.52621 -20.31161      47.63912 
1 1 1 -2  43 6  o 77.57767 23.97713 211.8956       120.0991 152.3034       126.2615 778.0666       389.1794 68.14466 24.62596 124.0015 43.39576 -55.85680      49.89619 
1 1 1 -2  43 7  o 86.26297 23.88051 264.6196       124.9294 201.9790       132.0925 795.6396       384.5968 75.66449 25.31503 125.4295 43.18129 -49.76504      50.05472 
1 1 1 -2  43 8  o 72.64220 28.44248 170.4743       176.0999 212.3412       192.0918 -50.02930      440.8404 77.83230 29.91627 76.45543 36.30911 1.376869       47.04609 
1 1 1 -2  43 9  o 89.69718 25.07674 292.2212       137.0234 245.9828       144.5215 703.4627       431.0020 81.92593 26.43185 113.0992 44.43292 -31.17323      51.70036 
1 1 1 -2  43 10 o 84.90472 25.55133 263.9324       137.5905 210.6815       145.4659 716.1557       423.9106 76.54938 26.54713 113.8337 44.25561 -37.28436      51.60726 
1 1 1 -2  43 11 f 68.10703 24.43031 156.2259       123.9933 159.2100       135.3421 140.6380       309.3324 68.97179 25.40717 76.85175 34.17427 -7.879959      42.58410 
1 1 1 -2  43 12 o 66.04481 24.89118 140.2049       131.3548 114.9468       145.6565 250.2084       303.9715 63.89156 25.59378 83.16396 35.44066 -19.27240      43.71592 
1 1 1 -2  43 13 o 62.52665 23.85494 120.2583       121.5325 46.07336       135.0588 435.9613       278.6149 55.16985 23.57049 97.92683 36.38438 -42.75697      43.35194 
1 1 1 -2  43 14 o 123.1683 17.60980 498.4005       123.5887 381.9970       138.1138 966.1325       276.8551 103.4574 23.32208 156.3806 31.28030 -52.92319      39.01764 
1 1 1 -2  43 15 o 131.0147 15.82930 552.6022       119.1649 484.3528       133.5137 819.9096       264.2299 119.7698 19.69136 141.8533 32.46457 -22.08357      37.96970 
1 1 1 -2  43 16 o 65.47930 23.00624 145.8703       109.4533 29.69850       129.4516 437.1702       204.9874 52.54667 22.76804 102.8504 31.23844 -50.30376      38.65519 
1 1 1 -2  43 17 o 106.3511 17.87281 376.4466       107.5270 457.2188       133.8258 229.3137       180.6190 115.3470 20.53545 77.69128 29.20795 37.65576       35.70447 
1 1 1 -2  43 18 o 44.72988 19.69433 1.879329       100.2899 -31.92619      132.7428 46.83986       153.0851 47.41450 21.61231 56.85914 24.69717 -9.444641      32.81833 
1 1 1 -2  43 19 o 50.93139 21.05374 52.96975       102.3230 36.42248       130.1577 79.74284       165.5602 52.94407 22.88515 61.00760 26.08146 -8.063534      34.69831 
1 1 1 -2  43 20 o 159.0018 13.29985 795.6230       122.8870 872.9023       141.4899 558.3378       247.9301 165.3215 14.74771 110.9903 34.47465 54.33125       37.49662 
1 1 1 -2  43 21 o 128.4123 15.21381 532.1899       112.3531 615.7264       137.0963 361.3424       196.0612 136.2490 17.56529 92.22857 30.84122 44.02041       35.49254 
1 1 1 -2  44 1  o 120.9926 24.42690 520.9458       167.3523 520.9458       167.3523 0.000000       0.000000 120.9926 24.42690 ?        ?        0.000000       24.42690 
1 1 1 -2  44 2  o 167.5499 17.99102 915.2295       174.0212 915.2295       174.0212 0.000000       0.000000 167.5499 17.99102 ?        ?        0.000000       17.99102 
1 1 1 -2  44 3  o 148.0375 16.31255 703.4901       139.2813 532.3250       148.5946 1941.970       399.7054 125.1669 20.98448 224.3992 31.21559 -99.23233      37.61331 
1 1 1 -2  44 4  o 76.31850 25.52797 209.6557       134.3250 180.7719       143.1202 423.2279       389.1763 72.18203 26.19985 95.14928 40.30708 -22.96725      48.07382 
1 1 1 -2  44 5  o 95.93887 24.04065 330.8659       134.9789 333.6116       143.5022 309.7903       397.5783 95.45337 25.24905 88.63783 39.11207 6.815544       46.55393 
1 1 1 -2  44 6  o 55.98473 23.18019 65.28916       124.3118 -6.234073      132.2137 610.5592       365.0552 49.97896 22.27600 108.6979 41.37418 -58.71892      46.98981 
1 1 1 -2  44 7  o 61.99571 24.27893 111.8238       128.3388 146.1730       137.1333 -130.5027      364.2382 67.06481 25.39763 67.86710 32.44529 -0.8022919     41.20359 
1 1 1 -2  44 8  o 159.9202 15.01910 812.2261       139.2146 837.5449       147.3694 602.2607       424.3842 161.8247 15.72594 104.0301 42.92775 57.79460       45.71758 
1 1 1 -2  44 9  o 107.5432 27.38015 439.4179       173.1173 531.6251       186.7933 -122.0084      460.9198 118.7400 27.38262 73.45640 35.46982 45.28356       44.80978 
1 1 1 -2  44 10 o 57.73878 24.17204 69.44625       137.3540 78.13731       144.8755 -7.794159      431.8979 59.47402 24.85654 75.37952 35.83851 -15.90551      43.61475 
1 1 1 -2  44 11 f 71.83759 24.52174 183.9185       123.9594 193.7055       134.3865 128.0916       320.9614 73.32621 25.51117 75.53402 34.10104 -2.207809      42.58757 
1 1 1 -2  44 12 o 53.15309 22.71129 41.27434       125.4159 54.58558       138.0408 -21.67448      300.1871 56.15798 23.90585 66.80475 31.16914 -10.64677      39.28111 
1 1 1 -2  44 13 o 162.9960 12.95081 830.0524       122.7840 791.6660       133.1338 1048.541       317.6241 157.9209 14.53772 155.7856 35.55128 2.135269       38.40884 
1 1 1 -2  44 14 o 148.1573 15.09900 702.6602       129.3647 721.8890       143.7158 620.5476       296.9841 148.7808 16.76188 112.5502 37.96088 36.23065       41.49686 
1 1 1 -2  44 15 o 54.37987 22.02927 72.60519       109.2332 70.15822       121.6440 82.79485       248.2308 55.52783 22.95484 67.81906 30.35449 -12.29123      38.05680 
1 1 1 -2  44 16 o 139.3549 13.06602 610.3900       105.5410 578.7379       124.9330 689.2759       197.2314 133.2411 16.32869 136.4485 25.58631 -3.207336      30.35269 
1 1 1 -2  44 17 o 134.4625 13.35085 570.5602       103.8945 573.2596       128.4129 565.4446       176.7760 132.0232 16.97723 123.4968 25.25975 8.526337       30.43486 
1 1 1 -2  44 18 o 76.84061 22.98128 215.7905       111.5620 137.4067       136.7188 371.9829       192.9946 64.79100 25.14866 93.96684 30.56285 -29.17583      39.57958 
1 1 1 -2  44 19 o 66.26849 23.72564 154.8774       116.8836 121.4314       136.4060 247.2835       226.7314 62.55973 24.86468 78.43530 31.75105 -15.87556      40.32842 
1 1 1 -2  45 1  o 131.4885 22.76202 605.8941       169.1760 605.8941       169.1760 0.000000       0.000000 131.4885 22.76202 ?        ?        0.000000       22.76202 
1 1 1 -2  45 2  o 150.9171 19.77018 765.3704       170.7810 765.3704       170.7810 0.000000       0.000000 150.9171 19.77018 ?        ?        0.000000       19.77018 
1 1 1 -2  45 3  o 145.6055 17.90005 697.3354       149.6430 597.2999       159.1332 1461.782       439.9036 131.7937 21.31537 170.8973 43.71864 -39.10367      48.63810 
1 1 1 -2  45 4  o 84.05071 27.24468 269.8664       153.4363 269.8664       153.4363 0.000000       0.000000 84.05071 27.24468 ?        ?        0.000000       27.24468 
1 1 1 -2  45 5  o 163.1216 15.92350 855.1970       150.3979 952.3909       160.8151 177.0679       424.7796 172.0078 16.12964 81.46678 37.68921 90.54099       40.99563 
1 1 1 -2  45 6  o 83.29501 25.76267 260.0483       138.6233 200.3667       147.8032 696.2223       399.5705 74.19992 26.66601 110.4362 42.95743 -36.23625      50.56102 
1 1 1 -2  45 7  o 55.06223 23.75464 41.91243       139.7021 54.80960       149.5205 -46.72709      391.9830 57.47779 24.68330 71.52007 34.04294 -14.04228      42.04982 
1 1 1 -2  45 8  o 96.43210 24.66215 343.3476       140.0137 349.9189       148.6833 291.8788       416.1128 96.42021 25.79096 85.52209 38.69831 10.89812       46.50519 
1 1 1 -2  45 9  o 83.59715 24.75474 260.1867       129.9520 265.5803       138.1093 218.5322       383.8089 83.86164 25.67490 81.24316 36.92193 2.618477       44.97143 
1 1 1 -2  45 10 o 114.1044 21.77368 456.9160       140.3940 431.8699       148.5716 665.8283       429.0890 109.0019 23.90071 104.4785 43.14403 4.523468       49.32191 
1 1 1 -2  45 11 o 63.54111 23.69318 133.7083       118.3499 85.68290       130.0338 365.4985       285.6726 58.20521 23.86287 89.03297 35.78163 -30.82776      43.00886 
1 1 1 -2  45 12 o 156.5337 13.74798 774.4287       124.9303 761.6099       140.2441 823.6971       274.9443 153.4859 15.80564 137.8928 34.17256 15.59311       37.65079 
1 1 1 -2  45 13 o 47.99969 21.20613 5.995090       117.2167 -64.22909      129.4957 324.4969       275.7833 44.35770 20.62049 85.55463 34.87516 -41.19693      40.51520 
1 1 1 -2  45 14 o 144.6843 15.18432 673.3375       126.9273 648.0328       145.4414 754.1823       259.9644 139.3069 18.23952 132.2743 33.48511 7.032516       38.13047 
1 1 1 -2  45 15 o 110.7332 17.91429 410.7774       112.3689 449.1384       128.7826 288.4038       230.0150 114.2513 19.94488 82.57859 32.45441 31.67273       38.09314 
1 1 1 -2  45 16 o 79.78825 22.86004 234.0718       112.4585 -11.66797      138.6212 707.1873       192.3426 49.57126 22.39233 138.6824 24.54658 -89.11118      33.22577 
1 1 1 -2  46 1  o 94.95975 26.85992 349.0817       156.2476 349.0817       156.2476 0.000000       0.000000 94.95975 26.85992 ?        ?        0.000000       26.85992 
1 1 1 -2  46 2  o 79.46133 28.00166 245.2597       162.2319 245.2597       162.2319 0.000000       0.000000 79.46133 28.00166 ?        ?        0.000000       28.00166 
1 1 1 -2  46 3  o 68.27561 26.77007 156.5731       156.1825 156.5731       156.1825 0.000000       0.000000 68.27561 26.77007 ?        ?        0.000000       26.77007 
1 1 1 -2  46 4  o 101.4264 24.79439 382.5257       146.2281 393.8892       154.6620 286.7751       448.9500 102.0036 25.83083 84.55594 38.98590 17.44769       46.76678 
1 1 1 -2  46 5  o 139.1274 20.23710 662.3730       160.2871 626.7997       174.8317 849.8819       401.3922 132.2539 23.39620 119.3500 43.79016 12.90390       49.64837 
1 1 1 -2  46 6  f 83.69654 26.68429 271.2134       147.6119 318.6918       163.0630 55.70000       347.4117 89.55071 27.98085 71.97891 33.56602 17.57180       43.69904 
1 1 1 -2  46 7  o 98.52891 25.61328 367.8340       149.3558 334.8309       169.9297 479.9078       313.1436 91.19453 28.57420 96.99889 37.94300 -5.804367      47.49901 
1 1 1 -2  46 8  o 111.1185 23.35095 446.7056       147.3314 486.4018       168.5639 318.2382       303.2402 113.5903 25.88211 84.83809 35.74083 28.75226       44.12812 
1 1 1 -2  46 9  o 117.4167 27.73178 536.2448       187.8996 861.3025       236.3293 -22.35341      309.8042 149.6881 27.94787 66.32147 31.17424 83.36662       41.86785 
1 1 1 -2  46 10 f 108.6670 29.31420 478.4611       191.0893 668.2050       229.3013 47.15298       345.7136 127.3314 31.00059 71.20129 33.29548 56.13007       45.49314 
1 1 1 -2  46 11 o 85.03490 24.64232 272.8488       129.9807 339.0196       145.8321 17.14237       286.6755 94.06676 25.70696 66.22135 30.74887 27.84541       40.07919 
1 1 1 -2  46 12 o 58.96161 23.39241 102.3159       120.5234 37.32688       135.0039 357.4447       267.4891 53.32109 23.17632 87.48802 34.80403 -34.16693      41.81461 
1 1 1 -2  47 1  o 77.17149 28.24458 232.0144       166.8276 232.0144       166.8276 0.000000       0.000000 77.17149 28.24458 ?        ?        0.000000       28.24458 
1 1 1 -2  47 2  o 198.1395 15.07564 1259.099       173.8701 1259.099       173.8701 0.000000       0.000000 198.1395 15.07564 ?        ?        0.000000       15.07564 
1 1 1 -2  47 3  o 244.2017 13.31097 1875.199       189.9170 1875.199       189.9170 0.000000       0.000000 244.2017 13.31097 ?        ?        0.000000       13.31097 
1 1 1 -2  47 4  o 101.1816 33.44016 464.8834       230.6502 464.8834       230.6502 0.000000       0.000000 101.1816 33.44016 ?        ?        0.000000       33.44016 
1 1 1 -2  47 5  o 96.35180 26.23630 359.9960       152.2200 259.9113       161.7462 1135.366       450.1994 80.70736 27.99306 132.1640 46.64009 -51.45660      54.39585 
1 1 1 -2  47 6  o 108.0801 25.68462 444.8929       160.3919 487.4806       177.6897 257.5507       372.6820 111.4599 27.38315 80.68015 36.55370 30.77972       45.67286 
1 1 1 -1  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  3  o ?        ?        -28.59757      3.191776 -28.59757      3.191776 -28.59757      3.191776 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -1  0  4  o 67.63918 6.501348 137.8684       25.20761 137.8684       25.20761 137.8684       25.20761 67.63918 6.501348 67.63918 6.501348 0.000000       0.000000 
1 1 1 -1  0  5  o 411.7426 10.72489 4984.598       258.5847 4984.598       258.5847 4984.598       258.5847 411.7426 10.72489 411.7426 10.72489 -0.000000      0.000000 
1 1 1 -1  0  6  o 750.1070 14.76902 16538.46       649.1506 16538.46       649.1506 16538.46       649.1506 750.1070 14.76902 750.1070 14.76902 0.000000       0.000000 
1 1 1 -1  0  7  o 544.9151 11.01633 8723.720       351.7350 8723.720       351.7350 8723.720       351.7350 544.9151 11.01633 544.9151 11.01633 0.000000       0.000000 
1 1 1 -1  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  9  o 146.9184 5.604828 635.8460       48.13368 635.8460       48.13368 635.8460       48.13368 146.9184 5.604828 146.9184 5.604828 0.000000       0.000000 
1 1 1 -1  0  10 o 157.3074 4.996012 727.9716       45.98636 727.9716       45.98636 727.9716       45.98636 157.3074 4.996012 157.3074 4.996012 0.000000       0.000000 
1 1 1 -1  0  11 o 292.8804 6.182052 2519.658       106.0807 2519.658       106.0807 2519.658       106.0807 292.8804 6.182052 292.8804 6.182052 0.000000       0.000000 
1 1 1 -1  0  12 o 106.9142 5.747980 338.2097       35.80182 338.2097       35.80182 338.2097       35.80182 106.9142 5.747980 106.9142 5.747980 0.000000       0.000000 
1 1 1 -1  0  13 o 424.9517 8.003045 5304.785       199.2957 5304.785       199.2957 5304.785       199.2957 424.9517 8.003045 424.9517 8.003045 0.000000       0.000000 
1 1 1 -1  0  14 o 436.5886 8.212046 5598.934       210.1008 5598.934       210.1008 5598.934       210.1008 436.5886 8.212046 436.5886 8.212046 0.000000       0.000000 
1 1 1 -1  0  15 o 648.2136 11.36864 12344.68       431.8928 12344.68       431.8928 12344.68       431.8928 648.2136 11.36864 648.2136 11.36864 -0.000000      0.000000 
1 1 1 -1  0  16 o 104.0289 7.466692 322.3233       45.00471 322.3233       45.00471 322.3233       45.00471 104.0289 7.466692 104.0289 7.466692 0.000000       0.000000 
1 1 1 -1  0  17 o 448.4222 8.492491 5905.019       223.1625 5905.019       223.1625 5905.019       223.1625 448.4222 8.492491 448.4222 8.492491 -0.000000      0.000000 
1 1 1 -1  0  18 o 876.6122 15.01392 22578.51       771.3734 22578.51       771.3734 22578.51       771.3734 876.6122 15.01392 876.6122 15.01392 -0.000000      0.000000 
1 1 1 -1  0  19 o 464.8257 12.56579 6354.739       341.9892 6354.739       341.9892 6354.739       341.9892 464.8257 12.56579 464.8257 12.56579 0.000000       0.000000 
1 1 1 -1  0  20 o 580.0355 12.02604 9886.140       408.7016 9886.140       408.7016 9886.140       408.7016 580.0355 12.02604 580.0355 12.02604 -0.000000      0.000000 
1 1 1 -1  0  21 o 900.1117 17.79625 23829.54       938.6251 23829.54       938.6251 23829.54       938.6251 900.1117 17.79625 900.1117 17.79625 -0.000000      0.000000 
1 1 1 -1  0  22 o 328.7816 9.030704 3178.636       173.8354 3178.636       173.8354 3178.636       173.8354 328.7816 9.030704 328.7816 9.030704 0.000000       0.000000 
1 1 1 -1  0  23 f 950.2103 18.36052 26569.46       1022.325 26569.46       1022.325 26569.46       1022.325 950.2103 18.36052 950.2103 18.36052 -0.000000      0.000000 
1 1 1 -1  0  24 o 325.6568 8.541637 3118.195       162.8831 3118.195       162.8831 3118.195       162.8831 325.6568 8.541637 325.6568 8.541637 0.000000       0.000000 
1 1 1 -1  0  25 o 378.2817 9.147176 4207.042       202.6650 4207.042       202.6650 4207.042       202.6650 378.2817 9.147176 378.2817 9.147176 0.000000       0.000000 
1 1 1 -1  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  27 o 120.4042 11.09900 436.5572       76.76086 436.5572       76.76086 436.5572       76.76086 120.4042 11.09900 120.4042 11.09900 -0.000000      0.000000 
1 1 1 -1  0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  30 o 163.1470 9.156588 789.2244       86.97602 789.2244       86.97602 789.2244       86.97602 163.1470 9.156588 163.1470 9.156588 -0.000000      0.000000 
1 1 1 -1  0  31 o 72.87505 19.04253 185.2546       70.31863 185.2546       70.31863 185.2546       70.31863 72.87505 19.04253 72.87505 19.04253 0.000000       0.000000 
1 1 1 -1  0  32 o 85.74551 16.92881 240.3578       75.70057 240.3578       75.70057 240.3578       75.70057 85.74551 16.92881 85.74551 16.92881 0.000000       0.000000 
1 1 1 -1  0  33 o 138.6163 11.17859 576.0618       89.47416 576.0618       89.47416 576.0618       89.47416 138.6163 11.17859 138.6163 11.17859 -0.000000      0.000000 
1 1 1 -1  0  34 o 18.66119 13.54571 -171.0189      81.83031 -171.0189      81.83031 -171.0189      81.83031 18.66119 13.54571 18.66119 13.54571 -0.000000      0.000000 
1 1 1 -1  0  35 f 440.5355 10.46651 5716.308       270.0720 5716.308       270.0720 5716.308       270.0720 440.5355 10.46651 440.5355 10.46651 0.000000       0.000000 
1 1 1 -1  0  36 o 167.9850 11.87858 843.0073       115.6575 843.0073       115.6575 843.0073       115.6575 167.9850 11.87858 167.9850 11.87858 -0.000000      0.000000 
1 1 1 -1  0  37 o 314.3700 9.796963 2915.163       180.2297 2915.163       180.2297 2915.163       180.2297 314.3700 9.796963 314.3700 9.796963 0.000000       0.000000 
1 1 1 -1  0  38 o 331.0880 9.991414 3234.942       193.6084 3234.942       193.6084 3234.942       193.6084 331.0880 9.991414 331.0880 9.991414 -0.000000      0.000000 
1 1 1 -1  0  39 o 359.6527 10.17791 3818.058       214.2916 3818.058       214.2916 3818.058       214.2916 359.6527 10.17791 359.6527 10.17791 0.000000       0.000000 
1 1 1 -1  0  40 o 45.41080 26.25245 79.11860       113.2769 79.11860       113.2769 79.11860       113.2769 45.41080 26.25245 45.41080 26.25245 0.000000       0.000000 
1 1 1 -1  0  41 o 138.6044 16.52764 594.5129       129.3134 594.5129       129.3134 594.5129       129.3134 138.6044 16.52764 138.6044 16.52764 -0.000000      0.000000 
1 1 1 -1  0  42 o 176.1879 22.42408 981.1943       221.4743 981.1943       221.4743 981.1943       221.4743 176.1879 22.42408 176.1879 22.42408 -0.000000      0.000000 
1 1 1 -1  0  43 o 61.93901 28.48863 172.7600       113.4035 172.7600       113.4035 172.7600       113.4035 61.93901 28.48863 61.93901 28.48863 0.000000       0.000000 
1 1 1 -1  0  44 o 39.13257 24.22332 40.61163       110.1833 40.61163       110.1833 40.61163       110.1833 39.13257 24.22332 39.13257 24.22332 -0.000000      0.000000 
1 1 1 -1  0  45 o 123.0932 18.21551 485.8396       123.0528 485.8396       123.0528 485.8396       123.0528 123.0932 18.21551 123.0932 18.21551 0.000000       0.000000 
1 1 1 -1  0  46 o 41.75096 25.30669 60.13103       114.6651 60.13103       114.6651 60.13103       114.6651 41.75096 25.30669 41.75096 25.30669 -0.000000      0.000000 
1 1 1 -1  0  47 o 32.34104 21.71159 -32.66127      116.1125 -32.66127      116.1125 -32.66127      116.1125 32.34104 21.71159 32.34104 21.71159 0.000000       0.000000 
1 1 1 -1  0  48 o 48.06734 27.77442 102.7787       126.6953 102.7787       126.6953 102.7787       126.6953 48.06734 27.77442 48.06734 27.77442 -0.000000      0.000000 
1 1 1 -1  0  49 o 90.93729 30.36751 339.2222       144.3261 339.2222       144.3261 339.2222       144.3261 90.93729 30.36751 90.93729 30.36751 0.000000       0.000000 
1 1 1 -1  0  50 o 60.91805 32.19120 189.8727       153.6977 189.8727       153.6977 189.8727       153.6977 60.91805 32.19120 60.91805 32.19120 -0.000000      0.000000 
1 1 1 -1  0  51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  52 o 200.9349 18.65941 1287.105       215.2876 1287.105       215.2876 1287.105       215.2876 200.9349 18.65941 200.9349 18.65941 0.000000       0.000000 
1 1 1 -1  1  1  o 63.92138 6.334545 121.0440       23.43517 95.86858       33.88956 144.1152       32.44245 56.21662 10.66916 69.61088 8.097670 -13.39426      13.39415 
1 1 1 -1  1  2  o 9.335350 4.033218 -0.5424055     4.038683 7.397673       5.697301 -8.562478      5.725928 16.17347 5.250483 8.347916 4.011214 7.825558       6.607376 
1 1 1 -1  1  3  o 63.30394 5.021233 118.2836       18.48935 139.1123       31.61642 107.4580       22.79327 68.38290 8.036653 60.16431 6.566229 8.218594       10.37801 
1 1 1 -1  1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  5  f 447.6135 6.661242 5878.148       174.8674 5824.362       245.3496 5933.680       249.2973 445.4527 9.391464 449.6107 9.454322 -4.158020      13.32606 
1 1 1 -1  1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  7  o 415.9008 6.213859 5074.417       151.5660 5019.474       212.0320 5131.826       216.7388 413.5564 8.742106 418.1552 8.837892 -4.598846      12.43112 
1 1 1 -1  1  8  o 938.2448 15.94034 25892.23       877.1307 26032.08       1249.675 25756.42       1231.426 939.3190 22.68473 934.3857 22.47148 4.933228       31.93062 
1 1 1 -1  1  9  o 281.0685 4.499594 2317.199       74.17133 2259.588       85.47372 2492.850       149.2471 277.5388 5.251199 291.2856 8.746381 -13.74689      10.20168 
1 1 1 -1  1  10 o 393.6731 5.646107 4546.876       130.3573 4461.037       150.6536 4802.626       260.0427 389.9035 6.588279 404.1590 10.98107 -14.25546      12.80583 
1 1 1 -1  1  11 f 623.7690 8.224640 11424.74       300.8785 11418.86       354.9959 11439.72       566.9382 623.4454 9.708998 623.1184 15.51367 0.3269653      18.30133 
1 1 1 -1  1  12 o 567.6428 7.526594 9460.646       250.5671 9423.714       293.7510 9559.289       480.0829 566.3973 8.843164 569.4598 14.38635 -3.062500      16.88693 
1 1 1 -1  1  13 o 1148.221 14.52911 38840.64       978.3972 38865.47       1155.090 38777.61       1840.673 1147.538 17.16319 1140.480 27.51938 7.058472       32.43288 
1 1 1 -1  1  14 o 298.7271 4.818527 2617.949       84.41885 2650.644       100.5820 2540.029       155.2778 300.5600 5.706092 293.9482 9.017833 6.611877       10.67149 
1 1 1 -1  1  15 o 678.1960 9.671032 13506.35       384.6614 13255.66       459.3017 14095.20       703.9279 671.6598 11.65999 691.5330 17.37035 -19.87323      20.92091 
1 1 1 -1  1  16 o 258.7506 5.172073 1963.907       78.48679 1947.424       94.64928 2000.191       140.4320 257.6435 6.263941 260.8794 9.192953 -3.235931      11.12418 
1 1 1 -1  1  17 o 243.0256 5.690613 1732.478       81.10760 1671.492       99.26555 1854.972       140.6827 238.5823 7.102211 251.2132 9.566258 -12.63086      11.91447 
1 1 1 -1  1  18 o 1188.357 15.04713 41502.59       1048.699 41517.62       1238.401 41464.47       1971.669 1188.053 17.77359 1184.467 28.38316 3.586182       33.48886 
1 1 1 -1  1  19 o 170.9840 5.298412 858.3653       53.06734 867.9192       61.14562 829.2042       106.8257 171.9005 6.074645 167.7035 10.92073 4.197021       12.49655 
1 1 1 -1  1  20 o 281.8308 5.627972 2329.947       93.02312 2325.240       107.9853 2343.489       183.1687 281.5291 6.540195 282.2929 11.08526 -0.7638245     12.87078 
1 1 1 -1  1  21 o 684.5146 9.163623 13753.38       367.8752 13616.50       427.1825 14146.23       723.7032 680.9797 10.69618 693.0571 17.81974 -12.07739      20.78344 
1 1 1 -1  1  22 o 534.7505 7.502757 8391.414       235.3003 8461.343       277.9612 8214.593       442.0003 536.8998 8.827554 528.3978 14.27608 8.502014       16.78488 
1 1 1 -1  1  23 o 204.7136 5.777878 1230.457       69.29964 1205.524       77.41790 1330.985       155.4533 202.5914 6.524340 212.4424 12.53262 -9.851074      14.12917 
1 1 1 -1  1  24 o 216.1416 6.893185 1372.428       87.26762 1280.605       104.2276 1587.742       159.6042 208.6730 8.534603 232.1215 11.76241 -23.44850      14.53251 
1 1 1 -1  1  25 o 481.4192 7.322876 6803.604       206.7548 6891.208       296.5712 6720.765       288.3913 484.2371 10.44288 478.2273 10.28247 6.009827       14.65547 
1 1 1 -1  1  26 o 168.0049 9.441118 832.0417       92.64990 808.4245       122.6137 863.4722       141.4492 165.2334 12.75150 170.5985 14.26813 -5.365143      19.13584 
1 1 1 -1  1  27 o 332.2236 6.071084 3239.924       118.2898 3168.624       162.8925 3319.474       172.0575 328.2773 8.467836 335.9767 8.739424 -7.699341      12.16889 
1 1 1 -1  1  28 o 118.9170 8.750076 417.9624       60.59746 423.1946       75.75847 408.6687       100.9682 119.4008 10.94012 116.6612 15.11207 2.739655       18.65639 
1 1 1 -1  1  29 o 460.3289 8.695662 6231.561       234.7585 6725.887       479.9849 6076.129       269.1475 475.9586 17.22362 454.3255 10.10119 21.63318       19.96716 
1 1 1 -1  1  30 o 212.9250 6.056875 1332.594       75.55866 1263.704       105.0189 1406.523       108.7932 207.0842 8.666247 218.5110 8.505660 -11.42688      12.14290 
1 1 1 -1  1  31 o 102.8309 9.139904 313.7189       54.54715 238.6827       75.74506 394.5546       78.61776 88.54432 15.12922 115.0252 11.82218 -26.48083      19.20044 
1 1 1 -1  1  32 o 466.3140 7.324683 6393.425       200.3170 6293.510       278.5958 6500.371       288.2318 462.0604 10.28076 469.5480 10.46674 -7.487579      14.67129 
1 1 1 -1  1  33 o 111.0927 9.631177 366.2646       62.13090 354.5062       87.62086 378.1558       88.11395 108.5339 14.09834 112.2343 13.66807 -3.700439      19.63617 
1 1 1 -1  1  34 o 89.19817 12.98525 240.0434       65.93642 225.1840       90.43827 256.9045       96.33741 85.30674 18.60211 91.22723 18.63655 -5.920486      26.33172 
1 1 1 -1  1  35 o 205.8878 7.426418 1248.114       89.52586 1261.292       125.3494 1234.393       127.9067 206.5746 10.37979 204.3017 10.71250 2.272888       14.91636 
1 1 1 -1  1  36 o 217.6677 7.215214 1394.889       91.97996 1425.120       129.7644 1364.363       130.3965 219.6004 10.10269 214.8117 10.38114 4.788757       14.48559 
1 1 1 -1  1  37 o 182.1447 8.052423 978.7210       85.80622 932.4109       118.4751 1029.813       124.4412 177.2251 11.46004 186.2905 11.44524 -9.065323      16.19648 
1 1 1 -1  1  38 o 89.82927 14.40395 245.9492       73.32027 228.9288       102.5128 263.7748       104.9098 85.37648 20.69197 91.81583 20.04608 -6.439354      28.80977 
1 1 1 -1  1  39 o 148.3487 9.688814 652.9697       83.83430 509.4823       117.3538 802.5098       119.8034 129.6153 15.76159 163.9200 12.55759 -34.30463      20.15244 
1 1 1 -1  1  40 o 58.00345 19.67214 95.88532       79.76022 154.3039       113.3286 38.54813       112.2748 71.67939 23.42740 54.29647 22.20698 17.38292       32.27991 
1 1 1 -1  1  41 o 282.7857 10.99157 2378.513       181.9448 0.000000       0.000000 2378.513       181.9448 ?        ?        282.7857 10.99157 0.000000       10.99157 
1 1 1 -1  1  42 o 251.0773 7.686095 1864.741       113.0452 1864.209       160.1275 1865.270       159.6138 249.9303 10.95095 250.0171 10.91183 -0.8671570E-01 15.45934 
1 1 1 -1  1  43 o 194.0246 8.559797 1119.142       97.16291 1052.251       134.7634 1191.556       140.2170 186.7417 12.37476 198.8956 12.07749 -12.15384      17.29163 
1 1 1 -1  1  44 o 75.57116 18.85469 185.1000       83.28794 71.43452       115.8188 306.8338       119.8589 57.73892 22.92359 96.50811 21.70444 -38.76919      31.56855 
1 1 1 -1  1  45 o 151.0380 10.34107 686.6553       91.04871 764.1930       127.1957 605.1765       130.3883 157.7907 13.88638 139.1166 16.28928 18.67409       21.40496 
1 1 1 -1  1  46 o 150.2083 10.58657 682.2305       92.66356 658.9341       128.6222 707.3695       133.6123 145.2504 15.32997 150.5283 15.34939 -5.277954      21.69359 
1 1 1 -1  1  47 o 172.9591 9.958024 902.4276       100.5836 873.8470       141.8918 931.2960       142.6044 167.5520 14.58485 173.2914 14.15475 -5.739426      20.32424 
1 1 1 -1  1  48 o 151.6169 11.51969 703.1163       101.6660 648.1872       142.2077 760.5395       145.4005 141.8538 17.46158 154.6531 16.27450 -12.79924      23.86977 
1 1 1 -1  1  49 o 59.04051 21.78666 105.7168       99.59138 145.0010       144.1381 69.82975       137.7649 67.77453 25.94888 58.39428 24.30918 9.380249       35.55672 
1 1 1 -1  1  50 o 63.43304 22.82073 131.1101       108.2826 -42.30838      155.3032 295.1700       151.0546 50.77839 23.23349 88.59048 26.79682 -37.81210      35.46639 
1 1 1 -1  1  51 o 109.4442 19.86085 407.1963       122.7862 514.8126       174.2815 301.1357       173.0171 117.9650 25.90202 87.36872 28.96579 30.59631       38.85783 
1 1 1 -1  1  52 o 86.96345 24.53309 281.1268       130.5263 265.1918       174.3938 301.4232       196.8179 81.92515 29.01756 85.63087 30.77180 -3.705727      42.29565 
1 1 1 -1  2  1  o 11.79051 4.803021 1.475691       5.226545 -7.974761      7.339215 11.20006       7.444818 10.20652 4.797747 19.52674 5.957753 -9.320221      7.649392 
1 1 1 -1  2  2  o ?        ?        -30.67083      2.530404 -30.67083      2.530404 0.000000       0.000000 ?        ?        ?        ?        0.000000       ?        
1 1 1 -1  2  3  f 299.5713 6.082503 2632.686       106.8644 2559.899       146.8885 2714.530       155.7594 295.2218 8.492597 304.0002 8.745438 -8.778381      12.19044 
1 1 1 -1  2  4  o 286.2174 4.802573 2402.834       80.61588 2448.318       115.6603 2359.860       112.4247 288.8759 6.826880 283.6108 6.759092 5.265106       9.606853 
1 1 1 -1  2  5  o 386.7123 5.957446 4386.999       135.1135 4461.067       194.8316 4318.374       187.5358 389.8830 8.520686 383.6035 8.335873 6.279541       11.92010 
1 1 1 -1  2  6  o 339.3454 5.455045 3377.909       108.5653 3376.943       152.5687 3378.900       154.5188 339.2423 7.668405 339.3377 7.764233 -0.9545898E-01 10.91273 
1 1 1 -1  2  7  o 677.9321 9.550056 13490.67       379.7018 13384.71       535.7733 13597.60       538.1937 674.9191 13.53564 680.2703 13.48983 -5.351135      19.10992 
1 1 1 -1  2  8  o 885.7217 12.16188 23046.27       631.7547 23174.02       899.0071 22921.63       887.9673 887.3578 17.27483 882.5344 17.15595 4.823364       24.34638 
1 1 1 -1  2  9  o 274.8628 5.328649 2216.275       85.89810 2278.720       113.3323 2131.978       131.6781 278.6700 6.934465 269.3788 8.344946 9.291107       10.85011 
1 1 1 -1  2  10 o 359.5211 5.298426 3792.022       111.7176 3751.620       130.3819 3903.618       216.6889 357.5695 6.217365 364.4068 10.14899 -6.837372      11.90200 
1 1 1 -1  2  11 o 302.0658 4.788094 2676.874       84.82320 2674.575       99.78943 2682.860       161.0321 301.9087 5.635836 302.0816 9.099824 -0.1729126     10.70371 
1 1 1 -1  2  12 o 382.2355 5.543067 4287.313       124.2601 4218.760       143.6814 4490.719       247.4986 379.1199 6.462098 390.6679 10.81265 -11.54803      12.59651 
1 1 1 -1  2  13 o 580.1445 7.780992 9882.501       264.7413 9855.331       311.7088 9952.837       501.5234 579.1971 9.176396 581.0312 14.72962 -1.834106      17.35419 
1 1 1 -1  2  14 o 790.6089 10.11243 18364.04       468.8866 18601.32       561.7440 17818.96       851.4251 795.3848 12.04233 777.0105 18.68397 18.37433       22.22855 
1 1 1 -1  2  15 o 684.1526 9.753033 13744.38       391.3300 13447.96       465.3949 14459.77       722.9993 676.5269 11.72968 700.4230 17.61456 -23.89612      21.16265 
1 1 1 -1  2  16 o 280.2814 5.322264 2304.366       87.48652 2240.489       103.5995 2463.156       163.3416 276.3493 6.392174 289.5095 9.633602 -13.16025      11.56141 
1 1 1 -1  2  17 o 525.0596 7.872515 8089.264       242.4223 7916.058       288.0058 8510.257       449.0109 519.3361 9.455884 537.9800 14.24369 -18.64398      17.09668 
1 1 1 -1  2  18 o 360.5468 5.693327 3813.134       120.3867 3672.735       135.3515 4344.817       263.3951 353.8293 6.522569 384.4895 11.69440 -30.66013      13.39040 
1 1 1 -1  2  19 o 507.7591 7.106167 7564.154       211.6136 7604.392       250.3414 7463.438       396.0638 509.0562 8.385259 503.8563 13.41512 5.199951       15.82017 
1 1 1 -1  2  20 o 207.7776 6.104629 1267.559       74.30831 1255.245       82.21381 1322.508       173.6720 206.7338 6.790040 211.6763 14.06951 -4.942535      15.62228 
1 1 1 -1  2  21 o 590.1064 8.274051 10219.49       286.3512 10044.29       329.9712 10753.86       576.2729 584.9438 9.618588 604.4275 16.27154 -19.48370      18.90186 
1 1 1 -1  2  22 o 289.0863 5.861381 2451.702       99.37517 2428.765       111.8430 2537.719       216.5833 287.7130 6.628251 293.6093 12.60717 -5.896332      14.24340 
1 1 1 -1  2  23 o 489.3552 7.041840 7027.168       202.0974 7021.604       236.6095 7042.176       388.6154 489.0961 8.248738 489.2166 13.55774 -0.1205139     15.86991 
1 1 1 -1  2  24 o 329.0583 6.346832 3177.376       122.4843 3013.356       141.3432 3671.938       245.4351 320.4074 7.521803 353.2374 11.86414 -32.82999      14.04761 
1 1 1 -1  2  25 o 271.2617 5.549237 2159.094       88.28203 2114.199       100.3715 2312.509       185.5436 268.3996 6.376440 280.2283 11.31298 -11.82874      12.98625 
1 1 1 -1  2  26 o 522.9877 7.320758 8030.912       224.5423 8143.194       268.0922 7767.040       410.9851 526.4928 8.682428 513.3221 13.66381 13.17072       16.18902 
1 1 1 -1  2  27 o 347.2493 7.978982 3542.376       162.4948 3294.691       214.6577 3874.805       248.6831 334.4422 10.95877 362.6104 11.70915 -28.16818      16.03742 
1 1 1 -1  2  28 o 539.9265 8.069853 8567.204       255.5352 8677.456       364.2214 8460.325       358.6067 542.7911 11.44148 535.9639 11.40860 6.827209       16.15746 
1 1 1 -1  2  29 o 162.0427 6.450591 772.4158       61.18018 733.1272       83.85267 817.1379       89.46330 157.6078 9.110531 166.4112 9.202508 -8.803421      12.94944 
1 1 1 -1  2  30 o 243.8733 5.924214 1746.623       84.73162 1822.113       118.7430 1668.308       120.9445 248.7895 8.149139 237.9825 8.679982 10.80696       11.90590 
1 1 1 -1  2  31 o 219.4336 6.056023 1415.493       77.86204 1445.127       107.6111 1382.933       112.7991 221.4806 8.299267 216.5795 8.899466 4.901047       12.16874 
1 1 1 -1  2  32 o 388.8452 6.639959 4443.501       151.4233 4322.213       207.9583 4580.377       220.9185 383.1065 9.255634 394.3275 9.552666 -11.22095      13.30114 
1 1 1 -1  2  33 o 92.63671 11.58934 257.1918       61.59015 284.0568       86.20071 229.1736       88.03138 96.62682 15.75342 86.15993 18.00246 10.46689       23.92193 
1 1 1 -1  2  34 o 286.1104 6.760156 2405.833       113.4334 2237.792       154.7828 2600.792       166.7195 275.4588 9.595761 296.9878 9.584431 -21.52902      13.56245 
1 1 1 -1  2  35 o 270.4012 6.977643 2150.792       110.5617 2000.524       150.1567 2328.729       163.3968 260.3677 9.851249 280.9284 9.933023 -20.56070      13.98971 
1 1 1 -1  2  36 o 264.0049 6.887552 2050.658       106.5507 1881.809       141.9510 2268.567       161.2600 252.4917 9.603584 277.1988 9.935459 -24.70708      13.81818 
1 1 1 -1  2  37 o 151.5650 8.897194 679.2997       78.73869 690.8646       109.8961 667.1003       112.8700 152.2595 12.41452 149.4836 13.00390 2.775909       17.97837 
1 1 1 -1  2  38 o 250.8832 7.192725 1854.262       105.7224 1851.300       148.3259 1857.321       150.7312 250.1163 10.13268 250.4895 10.28223 -0.3731995     14.43591 
1 1 1 -1  2  39 o 150.4356 9.704914 671.4411       85.16666 620.4920       119.7324 723.6194       121.1681 143.5670 14.41508 155.3950 13.42697 -11.82805      19.69970 
1 1 1 -1  2  40 o 159.8644 10.66355 760.4062       99.40630 816.1999       158.1951 724.0004       127.7867 163.9964 16.67966 155.1023 14.20567 8.894073       21.90918 
1 1 1 -1  2  41 o 132.9970 11.81184 530.3657       91.17462 651.6172       131.7707 418.9998       126.2849 146.4173 15.58452 115.8951 19.25497 30.52219       24.77158 
1 1 1 -1  2  42 o 267.6878 7.615818 2119.241       119.4412 2112.341       169.8006 2126.000       168.0438 266.0702 10.90470 266.9935 10.75377 -0.9233398     15.31522 
1 1 1 -1  2  43 o 143.5886 10.53496 618.6813       88.09875 561.0833       128.1622 670.2779       121.3016 134.4485 16.60634 148.1807 14.12886 -13.73224      21.80356 
1 1 1 -1  2  44 o 75.29505 18.72409 183.6540       82.33587 81.11632       118.7374 278.6242       114.2719 59.41042 23.32727 91.91906 21.57064 -32.50864      31.77191 
1 1 1 -1  2  45 o 184.2044 9.988045 1018.340       107.4988 1080.715       137.4855 920.2221       172.4355 188.5713 12.50230 171.1316 17.42364 17.43970       21.44506 
1 1 1 -1  2  46 o 90.22980 16.97432 261.7890       86.52826 149.8782       119.4188 385.4869       125.5502 68.54551 24.03486 107.9997 20.57289 -39.45418      31.63729 
1 1 1 -1  2  47 o 96.30660 16.90985 298.7472       92.02673 274.9903       129.0508 323.3277       131.2685 88.70033 24.15904 96.69024 23.40305 -7.989914      33.63573 
1 1 1 -1  2  48 o 58.35361 21.35493 101.7529       95.36202 154.2529       134.0994 48.04111       135.6383 68.98667 25.31091 56.24061 23.80887 12.74606       34.74916 
1 1 1 -1  2  49 o 54.18434 21.67030 69.70367       104.2494 -6.545258      145.8632 149.3211       149.0503 52.30035 23.34835 68.57972 26.35429 -16.27937      35.20929 
1 1 1 -1  2  50 o 82.88866 21.89001 241.4451       107.9716 244.1007       151.9319 238.7355       153.4694 80.90195 27.15075 80.09974 27.28610 0.8022079      38.49278 
1 1 1 -1  2  51 o 114.4002 18.33540 435.6895       118.8640 347.6523       165.5867 529.2801       170.7294 94.53449 27.93058 120.5602 24.96872 -26.02570      37.46405 
1 1 1 -1  2  52 o 54.30091 22.76477 58.39524       122.0876 -64.51952      173.7850 178.1723       171.5525 51.37098 23.88316 71.48185 28.04769 -20.11087      36.83854 
1 1 1 -1  3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  2  o 795.9659 26.54922 18743.90       1237.624 0.000000       0.000000 18743.90       1237.624 ?        ?        795.9659 26.54922 0.000000       26.54922 
1 1 1 -1  3  3  o 45.70950 5.763977 62.26255       15.10894 66.48319       21.00368 57.73647       21.75040 46.95939 7.907075 43.57198 8.814674 3.387409       11.84147 
1 1 1 -1  3  4  o 303.9602 5.534145 2710.201       98.65469 2688.295       126.4588 2744.263       157.6927 302.6956 7.123486 305.6583 8.805979 -2.962769      11.32649 
1 1 1 -1  3  5  o 167.5654 3.989696 823.5049       39.20800 862.2977       56.69433 787.9439       54.28133 171.3586 5.649073 163.7953 5.659151 7.563278       7.996125 
1 1 1 -1  3  6  f 305.1613 5.118071 2731.528       91.59805 2745.205       129.2920 2717.745       129.7878 305.8806 7.207243 304.3453 7.271379 1.535309       10.23803 
1 1 1 -1  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  8  o 769.8911 10.74729 17406.78       485.2650 17309.88       677.4040 17508.93       695.4899 767.2022 15.05523 771.5537 15.37001 -4.351501      21.51505 
1 1 1 -1  3  9  o 469.5820 6.979236 6470.730       192.2073 6534.757       274.9424 6409.530       268.8057 471.7267 9.938041 467.1936 9.810499 4.533173       13.96462 
1 1 1 -1  3  10 o 541.6717 7.820011 8613.067       248.4243 8376.598       340.0620 8883.683       363.7867 533.9189 10.86006 549.7972 11.28220 -15.87830      15.65979 
1 1 1 -1  3  11 o 539.6862 7.265440 8550.495       229.9607 8495.791       269.0644 8698.742       442.9349 537.8428 8.530027 543.3558 13.91113 -5.513062      16.31812 
1 1 1 -1  3  12 o 313.7251 5.345089 2888.038       98.34557 2835.138       117.5452 3011.475       179.5545 310.7923 6.448877 319.9859 9.578644 -9.193634      11.54723 
1 1 1 -1  3  13 o 355.1062 5.341716 3699.990       111.2473 3748.860       132.9808 3586.045       203.0562 357.3991 6.344318 349.1957 9.925160 8.203400       11.77961 
1 1 1 -1  3  14 o 354.9194 5.323160 3695.700       110.8026 3776.027       133.1081 3514.434       199.9553 358.7188 6.327026 345.7555 9.870926 12.96332       11.72461 
1 1 1 -1  3  15 o 362.8726 5.937150 3863.137       126.3522 3876.911       154.7502 3835.590       218.8456 363.4752 7.259486 361.2508 10.34012 2.224426       12.63401 
1 1 1 -1  3  16 o 324.7168 5.680561 3093.050       108.1799 3145.764       132.7735 2988.947       186.5865 327.4437 6.913918 318.9293 9.987827 8.514404       12.14738 
1 1 1 -1  3  17 o 243.3270 4.963837 1736.630       70.83672 1701.778       79.58684 1869.495       155.3942 240.8645 5.634013 252.1368 10.53187 -11.27223      11.94413 
1 1 1 -1  3  18 o 548.7865 7.501481 8836.260       241.4354 8900.944       286.6001 8678.156       448.0703 550.7305 8.873331 543.2939 14.07430 7.436646       16.63796 
1 1 1 -1  3  19 o 311.2433 5.454901 2841.542       99.57204 2882.075       115.9046 2727.350       194.5408 313.4391 6.305173 304.5905 10.90801 8.848633       12.59921 
1 1 1 -1  3  20 o 729.8438 9.689029 15636.06       414.7255 15422.73       479.1954 16272.74       827.8375 724.7159 11.27442 743.2261 19.00772 -18.51019      22.09991 
1 1 1 -1  3  21 f 690.0278 9.384388 13976.78       379.7721 13689.07       435.6615 14887.28       775.0206 682.7664 10.87994 710.8220 18.60696 -28.05566      21.55440 
1 1 1 -1  3  22 o 697.0122 9.379508 14262.67       383.4167 13983.82       440.0267 15142.09       781.4235 690.0284 10.87330 716.7330 18.60570 -26.70465      21.54996 
1 1 1 -1  3  23 o 981.6377 12.68679 28324.06       730.3879 28192.56       857.4743 28671.69       1394.179 978.9080 14.93581 984.5833 24.14436 -5.675293      28.39064 
1 1 1 -1  3  24 o 137.9518 7.055748 560.0011       56.89523 504.5587       61.99821 855.8105       143.2070 130.8462 8.119184 169.9079 14.51017 -39.06171      16.62727 
1 1 1 -1  3  25 o 186.1098 6.019781 1017.516       65.61888 1050.750       73.69933 890.3996       144.1354 189.0907 6.656112 173.3011 14.30878 15.78964       15.78116 
1 1 1 -1  3  26 o 257.9418 7.863026 1955.807       118.8104 2148.026       170.6754 1775.089       165.4911 270.0495 10.79826 245.3669 11.53254 24.68254       15.79880 
1 1 1 -1  3  27 o 337.0181 5.687479 3333.780       112.4148 3419.574       131.9370 3106.500       214.7424 341.2718 6.591979 324.6825 11.29459 16.58932       13.07753 
1 1 1 -1  3  28 f 141.2988 8.023252 588.6257       66.21421 608.4923       76.67765 530.3694       131.3043 143.5568 9.155109 132.7307 17.27741 10.82614       19.55313 
1 1 1 -1  3  29 f 526.3732 7.378458 8141.771       227.7770 8175.441       268.6121 8055.588       429.7418 527.2473 8.686817 521.9611 14.05123 5.286194       16.51962 
1 1 1 -1  3  30 o 156.0807 14.92953 727.6223       134.9978 0.000000       0.000000 727.6223       134.9978 ?        ?        156.0807 14.92953 0.000000       14.92953 
1 1 1 -1  3  31 o 277.8664 5.903018 2267.834       96.19678 2121.057       129.2113 2450.352       144.0868 268.3914 8.218514 288.4479 8.526744 -20.05652      11.84269 
1 1 1 -1  3  32 o 276.2219 6.067025 2241.466       98.28434 2132.706       132.8707 2372.876       146.0526 269.0776 8.430187 283.7846 8.786049 -14.70694      12.17632 
1 1 1 -1  3  33 o 168.6732 7.406160 838.1617       73.08525 803.6490       97.76259 881.8866       110.0395 164.8154 10.16347 172.5660 10.92898 -7.750610      14.92443 
1 1 1 -1  3  34 o 235.9282 6.975344 1637.559       96.40926 1701.277       134.0470 1569.280       138.7618 240.1423 9.536794 230.5073 10.29037 9.635056       14.03004 
1 1 1 -1  3  35 o 197.7307 7.647091 1151.614       88.51184 1111.656       121.5092 1196.786       129.1932 193.8430 10.73016 201.1066 10.99558 -7.263565      15.36357 
1 1 1 -1  3  36 o 252.8497 6.860544 1881.150       101.6413 1837.814       137.2438 1933.790       151.2612 249.5462 9.394367 255.8625 10.10008 -6.316284      13.79368 
1 1 1 -1  3  37 o 199.5148 7.732776 1173.488       90.31046 1202.874       125.7558 1142.193       129.7756 201.5218 10.67846 196.2354 11.32436 5.286453       15.56505 
1 1 1 -1  3  38 o 94.52666 14.06450 271.3868       75.59875 235.0557       106.6720 308.0479       107.1552 86.43330 21.20587 99.61259 19.03584 -13.17929      28.49653 
1 1 1 -1  3  39 o 85.40014 15.97602 225.0087       77.07549 312.5479       108.1781 134.7536       109.8434 100.2083 19.10422 68.23284 23.08625 31.97545       29.96575 
1 1 1 -1  3  40 o 365.5871 7.576414 3939.923       162.4445 4055.981       234.0572 3832.065       225.6366 369.7786 10.80428 359.4518 10.71528 10.32681       15.21675 
1 1 1 -1  3  41 o 268.4803 7.742874 2129.176       121.7899 2057.397       172.7407 2200.124       171.7375 262.8588 11.23114 271.9975 10.78728 -9.138763      15.57254 
1 1 1 -1  3  42 o 266.0645 7.616436 2093.915       118.7250 2200.856       172.5730 1997.816       163.5918 271.5808 10.85674 258.7523 10.80397 12.82843       15.31648 
1 1 1 -1  3  43 o 60.58682 19.31871 113.6159       77.36709 118.8045       111.4887 108.7963       107.4502 64.37490 23.15655 62.38923 22.69318 1.985676       32.42231 
1 1 1 -1  3  44 o 302.1493 7.499727 2705.531       132.8977 2605.538       185.1116 2811.892       190.9141 294.7158 10.72766 306.2293 10.64638 -11.51355      15.11384 
1 1 1 -1  3  45 o 183.0652 9.183293 1002.428       98.28014 956.5139       134.8504 1054.445       143.5338 177.0360 13.08032 185.8217 13.25775 -8.785614      18.62425 
1 1 1 -1  3  46 o 76.19212 23.50239 196.8929       115.4578 196.8929       115.4578 0.000000       0.000000 76.19212 23.50239 ?        ?        0.000000       23.50239 
1 1 1 -1  3  47 o 131.8462 12.39285 534.2407       94.70367 639.2032       134.7590 431.8185       133.1184 141.9361 16.49575 113.9060 20.68874 28.03002       26.46004 
1 1 1 -1  3  48 o 144.9804 12.16009 646.4580       102.4425 694.4620       148.1385 602.4622       141.8191 146.7573 17.55959 136.1279 18.22102 10.62941       25.30503 
1 1 1 -1  3  49 f 73.82304 22.15136 189.7598       103.5218 210.2803       146.7803 169.4496       146.0264 76.56677 26.66021 70.96276 26.34554 5.604012       37.48138 
1 1 1 -1  3  50 o 97.09667 19.00494 316.8575       104.3475 393.8046       154.1496 251.7769       141.7661 103.4978 25.55136 82.36301 26.13805 21.13482       36.55229 
1 1 1 -1  3  51 o 151.3010 13.60861 719.5059       119.4664 798.0261       175.0214 651.0071       163.4713 153.9110 19.85155 137.9795 20.85098 15.93144       28.78971 
1 1 1 -1  4  1  o 176.4020 4.781584 913.3898       49.42254 899.4838       68.57629 928.4186       71.29076 174.9691 6.695210 177.7571 6.851249 -2.787994      9.579428 
1 1 1 -1  4  2  o 414.3506 7.716142 5037.828       187.5076 5023.695       264.2008 5052.172       266.1615 413.4899 10.90430 414.6572 10.95434 -1.167297      15.45643 
1 1 1 -1  4  3  f 480.7024 8.706355 6781.693       245.4501 6696.391       341.6027 6872.736       352.9111 477.3202 12.21287 483.5462 12.45485 -6.226044      17.44355 
1 1 1 -1  4  4  f 324.0217 5.787660 3079.853       109.9835 3107.834       143.1666 3039.560       171.7994 325.4491 7.500810 321.6779 9.115660 3.771240       11.80497 
1 1 1 -1  4  5  o 432.9490 6.480468 5499.163       164.5484 5460.077       232.0655 5538.683       233.3530 431.3068 9.174318 434.4010 9.159504 -3.094238      12.96397 
1 1 1 -1  4  6  o 675.9931 9.408757 13413.35       373.0139 13494.50       532.0389 13334.89       523.1169 677.6899 13.38634 673.6851 13.24010 4.004822       18.82802 
1 1 1 -1  4  7  o 1139.835 37.42025 38788.96       2498.103 38788.96       2498.103 0.000000       0.000000 1139.835 37.42025 ?        ?        0.000000       37.42025 
1 1 1 -1  4  8  o 443.6006 6.712034 5773.925       174.6211 5822.000       248.2663 5726.855       245.6575 445.3062 9.506237 441.6538 9.484130 3.652344       13.42823 
1 1 1 -1  4  9  o 622.4823 8.963835 11376.99       327.2437 11649.73       473.1360 11126.87       453.0990 629.4814 12.81600 615.2249 12.55766 14.25647       17.94282 
1 1 1 -1  4  10 o 452.0314 6.751599 5997.026       178.9888 6010.867       253.1346 5983.186       253.1220 452.3564 9.541579 451.3119 9.563188 1.044556       13.50912 
1 1 1 -1  4  11 o 247.4561 4.730561 1796.512       68.65328 1728.591       94.62950 1871.989       99.75385 242.5836 6.657720 252.4469 6.743700 -9.863342      9.476430 
1 1 1 -1  4  12 o 247.7383 6.711346 1802.862       97.42110 2020.370       174.5281 1704.416       117.4161 261.8594 11.39166 240.7587 8.328168 21.10072       14.11128 
1 1 1 -1  4  13 o 401.8502 5.769182 4738.483       135.9656 4894.400       165.4400 4414.026       238.6554 408.3488 6.908100 387.4063 10.51370 20.94254       12.58013 
1 1 1 -1  4  14 o 792.1643 10.08248 18431.98       468.4176 18712.43       562.1974 17795.33       847.0698 797.8901 12.01421 776.8179 18.59300 21.07227       22.13687 
1 1 1 -1  4  15 o 509.7776 7.581898 7626.136       226.6779 7620.137       276.9864 7638.301       394.4359 509.4835 9.269958 509.6294 13.20802 -0.1459045     16.13641 
1 1 1 -1  4  16 o 393.6280 6.334347 4545.468       146.2306 4673.530       182.8015 4317.893       243.6864 399.0899 7.810133 383.3359 10.85021 15.75400       13.36882 
1 1 1 -1  4  17 o 669.8385 8.877956 13167.34       348.7656 13042.60       406.0894 13517.99       680.8571 666.5627 10.38796 677.7668 17.14249 -11.20410      20.04432 
1 1 1 -1  4  18 o 906.9083 11.71296 24151.25       622.9891 24072.31       732.6086 24357.43       1183.977 905.1855 13.80015 909.1653 22.20495 -3.979797      26.14391 
1 1 1 -1  4  19 o 341.3483 5.776442 3417.966       115.6402 3340.102       130.9918 3692.976       246.1790 337.4194 6.619473 354.4189 11.86031 -16.99942      13.58250 
1 1 1 -1  4  20 o 409.7215 6.516049 4924.964       156.5755 4942.934       180.4893 4870.311       314.7701 410.4369 7.498158 406.9305 13.20682 3.506439       15.18692 
1 1 1 -1  4  21 f 513.0677 7.507123 7724.413       225.8909 7519.100       255.2473 8466.130       485.1468 506.1494 8.598682 536.3268 15.43993 -30.17743      17.67283 
1 1 1 -1  4  22 o 286.1478 5.813130 2402.131       97.55532 2325.410       107.3924 2764.299       233.3299 281.5251 6.504379 306.4112 13.01384 -24.88608      14.54878 
1 1 1 -1  4  23 o 344.6117 5.888540 3484.257       119.0113 3446.448       136.1602 3606.635       244.9648 342.7075 6.774482 350.1206 11.94737 -7.413086      13.73438 
1 1 1 -1  4  24 o 184.4479 6.078730 999.3835       65.66645 995.3293       72.79440 1017.097       152.1583 184.0349 6.755928 185.3724 14.10169 -1.337463      15.63650 
1 1 1 -1  4  25 o 380.7720 6.649656 4255.630       148.4960 4187.864       176.0554 4422.697       276.4316 377.6511 7.948917 387.5513 12.17719 -9.900208      14.54199 
1 1 1 -1  4  26 o 300.3956 8.164812 2652.528       143.7101 2652.528       143.7101 0.000000       0.000000 300.3956 8.164812 ?        ?        0.000000       8.164812 
1 1 1 -1  4  27 o 413.5146 6.209150 5019.996       150.5822 5218.090       181.6444 4584.733       269.2539 421.4972 7.348129 394.4381 11.65223 27.05905       13.77568 
1 1 1 -1  4  28 o 201.5814 6.492831 1194.557       76.65988 1148.564       88.97990 1327.009       150.9982 197.5572 7.694488 211.8339 12.20587 -14.27669      14.42873 
1 1 1 -1  4  29 o 394.2122 6.716908 4565.084       155.2923 4534.543       185.5012 4636.626       283.9122 392.7395 8.053627 396.2941 12.23027 -3.554565      14.64379 
1 1 1 -1  4  30 o 267.5948 5.626851 2102.719       88.30669 2057.766       98.63902 2284.197       198.1917 264.6682 6.354720 277.9281 12.18877 -13.25983      13.74586 
1 1 1 -1  4  31 o 274.8227 5.661602 2218.152       91.25200 2240.373       104.0030 2143.834       190.2018 276.1351 6.422051 269.1833 12.07880 6.951782       13.67992 
1 1 1 -1  4  32 o 465.9852 6.864542 6382.406       187.6006 6298.244       215.6924 6643.854       380.1624 462.7179 7.948185 473.5871 13.70174 -10.86920      15.84018 
1 1 1 -1  4  33 o 356.3851 6.619153 3732.560       138.3479 3671.308       189.0041 3803.260       203.0579 352.9841 9.137575 359.1771 9.648376 -6.193024      13.28858 
1 1 1 -1  4  34 o 149.6254 8.874798 661.3322       77.52809 667.1072       108.6593 655.3434       110.6504 149.7480 12.48596 148.3507 12.84424 1.397217       17.91295 
1 1 1 -1  4  35 o 106.0369 11.89699 336.1873       72.71077 252.8614       100.7946 426.5958       104.9909 90.29332 19.59773 118.9338 15.41427 -28.64050      24.93332 
1 1 1 -1  4  36 o 389.6933 7.051635 4465.940       161.1622 4371.320       219.4090 4576.807       237.5001 384.9247 9.726940 393.7312 10.29405 -8.806519      14.16266 
1 1 1 -1  4  37 o 221.5693 11.10667 1454.736       143.8656 0.000000       0.000000 1454.736       143.8656 ?        ?        221.5693 11.10667 0.000000       11.10667 
1 1 1 -1  4  38 o 73.53656 20.76648 168.2731       93.47400 32.93749       180.9518 217.5304       109.1672 65.65627 27.63158 83.14001 22.03639 -17.48374      35.34271 
1 1 1 -1  4  39 o 118.6756 11.89460 421.8670       81.67220 404.6002       114.0971 440.0112       116.9600 114.8080 17.49774 119.9325 17.11316 -5.124443      24.47511 
1 1 1 -1  4  40 o 160.4763 9.949084 764.9895       93.17589 706.5392       129.1420 828.4533       134.5665 153.0652 14.56121 166.0272 13.94883 -12.96202      20.16429 
1 1 1 -1  4  41 o 64.30845 20.16164 126.4848       84.58804 187.6066       122.0675 70.02050       117.3246 77.38210 24.21394 58.94153 23.17452 18.44057       33.51676 
1 1 1 -1  4  42 o 382.1159 7.544814 4315.596       169.0807 4495.861       244.1368 4149.433       234.3932 388.3153 10.73037 373.0467 10.72463 15.26859       15.17098 
1 1 1 -1  4  43 o 109.4980 12.91791 365.9670       81.36133 557.0748       117.4976 189.9211       112.7724 134.5094 15.15814 76.37273 23.16461 58.13672       27.68336 
1 1 1 -1  4  44 o 86.06268 16.48509 235.0013       80.17789 180.0128       118.7527 281.0668       108.6915 74.32607 23.95801 92.67532 20.53800 -18.34924      31.55623 
1 1 1 -1  4  45 o 248.1205 7.887760 1830.860       114.6343 1726.357       156.7321 1951.071       168.0991 239.2334 11.20193 254.2952 11.29959 -15.06178      15.91113 
1 1 1 -1  4  46 o 92.38499 16.66734 273.6546       86.98440 282.9687       125.1603 264.9530       120.9754 90.73471 23.37620 87.88713 23.15217 2.847580       32.90091 
1 1 1 -1  4  47 o 97.97292 20.26504 320.4713       112.5957 289.0619       127.0719 435.2432       242.9059 91.14297 23.59130 104.1224 34.31297 -12.97943      41.64047 
1 1 1 -1  4  48 o 164.1709 11.27961 822.8931       107.9428 715.9089       152.7427 929.6293       152.5657 148.7505 17.86572 171.7682 15.30492 -23.01770      23.52498 
1 1 1 -1  4  49 o 89.81767 20.35175 275.5565       104.7149 335.3431       153.2587 223.2071       143.4100 95.00057 26.50664 78.40204 26.37886 16.59853       37.39580 
1 1 1 -1  4  50 o 45.87191 20.04469 6.138489       102.1331 82.57115       155.1087 -52.36682      135.7045 61.16015 25.65112 46.80699 21.52779 14.35316       33.48769 
1 1 1 -1  4  51 o 71.99599 23.71538 185.1841       116.0376 295.2596       180.9059 108.2387       151.2511 86.11163 29.61666 63.08062 25.78439 23.03101       39.26807 
1 1 1 -1  5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  5  2  o 780.9270 18.98754 17954.59       869.6202 17954.59       869.6202 0.000000       0.000000 780.9270 18.98754 ?        ?        0.000000       18.98754 
1 1 1 -1  5  3  o 390.4691 7.405825 4473.612       169.5941 4521.166       242.4556 4428.055       237.3116 392.2750 10.54837 388.2201 10.43240 4.054932       14.83587 
1 1 1 -1  5  4  o 420.8697 6.372577 5196.508       157.2944 5079.954       219.3309 5319.932       225.7016 416.0302 8.989269 425.7414 9.039371 -9.711151      12.74822 
1 1 1 -1  5  5  o 800.1356 12.12603 18804.65       569.0268 18985.39       920.0010 18692.67       724.1559 802.9147 19.53747 797.3345 15.48606 5.580139       24.93052 
1 1 1 -1  5  6  o 939.8474 12.84422 25953.61       707.9711 25704.24       988.1563 26216.62       1014.821 934.4216 18.03152 943.6259 18.33745 -9.204285      25.71765 
1 1 1 -1  5  7  o 253.8099 4.738530 1889.584       70.53468 1918.419       100.8218 1861.943       98.71385 255.6122 6.731320 251.8210 6.689913 3.791229       9.490290 
1 1 1 -1  5  8  o 493.8140 7.195394 7156.225       208.3860 7145.912       291.9799 7166.931       297.5021 493.2730 10.09288 493.9847 10.26895 -0.7117004     14.39853 
1 1 1 -1  5  9  o 778.8915 10.79920 17826.46       493.3091 17730.54       690.5854 17926.40       704.9246 776.0193 15.17380 780.2452 15.40497 -4.225952      21.62308 
1 1 1 -1  5  10 o 461.6912 6.823246 6256.794       184.7537 6246.813       260.8391 6266.845       261.7255 461.0959 9.645638 461.8329 9.662970 -0.7370605     13.65325 
1 1 1 -1  5  11 o 486.4213 7.178982 6946.379       204.7981 6864.102       285.6933 7033.352       293.7305 483.2551 10.08029 489.1587 10.23879 -5.903534      14.36820 
1 1 1 -1  5  12 o 354.5307 5.671939 3688.359       117.9332 3704.311       168.4660 3673.028       165.1488 355.1678 8.087757 353.6727 7.962022 1.495117       11.34926 
1 1 1 -1  5  13 o 372.2361 6.450955 4066.274       140.8293 4181.479       184.3337 3904.754       218.2633 377.3741 8.328793 364.4109 10.22276 12.96320       13.18611 
1 1 1 -1  5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  5  15 o 866.1547 12.09830 22038.04       614.5685 21550.63       728.4698 23241.47       1144.651 856.1945 14.50737 887.7007 21.98650 -31.50616      26.34141 
1 1 1 -1  5  16 o 796.9447 10.26120 18644.40       479.5973 18871.96       574.2138 18119.48       872.1387 801.6119 12.21403 784.6196 18.95291 16.99237       22.54762 
1 1 1 -1  5  17 o 892.0358 11.35649 23363.32       594.1238 23517.97       705.4969 22986.17       1101.726 894.7563 13.44435 883.4082 21.26481 11.34808       25.15835 
1 1 1 -1  5  18 o 385.9713 5.873150 4370.000       132.9464 4348.411       154.2813 4432.266       262.0182 384.9931 6.832976 388.3495 11.51697 -3.356384      13.39142 
1 1 1 -1  5  19 o 737.9585 9.740514 15985.38       421.5648 15495.89       475.1986 17794.03       913.4417 726.4580 11.15358 777.0626 20.06031 -50.60455      22.95252 
1 1 1 -1  5  20 o 90.01254 12.49457 242.5446       64.18301 208.2552       69.19558 453.8217       171.7611 82.93626 14.76745 121.7961 24.88742 -38.85986      28.93892 
1 1 1 -1  5  21 o 284.1810 6.097888 2369.248       101.6307 2304.542       112.6194 2653.123       235.8878 280.2566 6.851831 300.1599 13.43397 -19.90323      15.08042 
1 1 1 -1  5  22 o 427.9182 6.530579 5372.730       163.8940 5401.613       190.6193 5290.844       320.9606 429.0237 7.575916 424.0897 12.91964 4.933990       14.97703 
1 1 1 -1  5  23 o 668.3605 8.945419 13115.81       350.6404 12932.40       405.4379 13660.07       698.4297 663.5206 10.41884 680.6401 17.51118 -17.11951      20.37630 
1 1 1 -1  5  24 o 174.4025 6.158693 893.6726       62.89404 867.1476       69.22255 1019.164       150.5663 171.7486 6.886292 185.5697 13.93654 -13.82111      15.54503 
1 1 1 -1  5  25 o 606.3860 8.161767 10798.49       290.2578 11001.83       347.6947 10330.96       527.2203 611.8830 9.689006 591.8396 15.20188 20.04340       18.02703 
1 1 1 -1  5  26 o 206.5973 8.201189 1255.788       99.17179 1174.526       125.9653 1388.280       160.8425 199.5387 10.80429 216.7577 12.70823 -17.21902      16.68028 
1 1 1 -1  5  27 o 531.8353 7.449921 8308.452       232.3696 8230.790       269.8065 8531.507       457.2499 529.1797 8.693583 537.4470 14.51997 -8.267212      16.92359 
1 1 1 -1  5  28 o 442.3336 6.526670 5746.206       169.3137 5741.706       196.3904 5759.231       334.1563 442.0437 7.575383 441.6717 12.91416 0.3719788      14.97204 
1 1 1 -1  5  29 o 407.1126 6.261885 4867.791       149.5099 4879.014       172.6003 4834.061       299.2225 407.4760 7.222524 404.5340 12.62760 2.941986       14.54721 
1 1 1 -1  5  30 o 264.4596 5.609553 2053.781       87.00379 2090.728       98.10023 1917.617       188.3252 266.7808 6.269962 254.4999 12.65713 12.28094       14.12499 
1 1 1 -1  5  31 o 172.9993 7.412064 881.5540       75.02850 873.1555       85.72065 909.0609       155.1333 172.0480 8.521949 174.4368 15.31953 -2.388702      17.53031 
1 1 1 -1  5  32 o 237.5793 6.022030 1659.216       83.84012 1633.147       92.87318 1774.014       194.8902 235.6325 6.727432 244.4548 13.64799 -8.822235      15.21598 
1 1 1 -1  5  33 o 184.2027 6.978406 998.8057       75.25177 951.3151       81.64155 1267.063       194.0362 179.6803 7.765812 205.9185 16.19738 -26.23825      17.96282 
1 1 1 -1  5  34 o 190.3342 9.364855 1069.461       104.2156 1048.256       119.4690 1136.960       213.1510 188.2141 10.86935 194.3232 18.94325 -6.109100      21.84009 
1 1 1 -1  5  35 o 199.3081 7.627209 1170.090       88.98953 1194.747       124.1851 1144.065       127.5842 200.9896 10.57244 196.5802 11.11165 4.409470       15.33770 
1 1 1 -1  5  36 o 140.5563 10.83592 586.7003       88.63457 513.6680       145.1610 630.1147       111.9204 129.5094 19.73442 145.2507 13.28530 -15.74127      23.78963 
1 1 1 -1  5  37 o 292.2260 7.131452 2512.688       122.2214 2394.006       165.2708 2655.936       181.5711 284.6205 9.916159 299.7033 10.34562 -15.08286      14.33046 
1 1 1 -1  5  38 o 164.1945 9.244894 798.2014       88.66524 718.6669       119.0568 897.2450       132.8587 154.9763 13.22526 173.2962 13.17089 -18.31995      18.66494 
1 1 1 -1  5  39 o 91.50317 15.04229 256.3464       77.92107 266.9424       105.7177 243.7428       115.2987 92.18039 20.12111 87.69756 22.35416 4.482834       30.07603 
1 1 1 -1  5  40 o 283.7133 7.665533 2375.341       127.4308 2361.293       173.4849 2391.802       187.7930 282.0940 10.50453 283.6477 11.31154 -1.553711      15.43684 
1 1 1 -1  5  41 o 270.2512 7.767365 2158.071       122.9819 2222.201       169.8819 2087.455       178.2661 273.3452 10.61725 264.5872 11.51570 8.757965       15.66325 
1 1 1 -1  5  42 o 132.8649 11.17648 530.3812       86.28286 566.1893       120.1412 492.2391       123.9948 135.9180 15.33944 125.9040 17.24513 10.01405       23.08014 
1 1 1 -1  5  43 o 67.38692 19.25669 145.5629       79.90079 227.2309       116.0767 72.02214       110.1497 82.93758 23.04128 57.21217 22.46674 25.72542       32.18159 
1 1 1 -1  5  44 o 248.3605 7.733993 1831.406       112.5141 1891.422       162.4563 1776.081       155.9793 250.7879 11.07265 243.0627 10.97031 7.725235       15.58689 
1 1 1 -1  5  45 o 71.98720 19.09417 169.6734       81.92445 255.0376       121.2006 97.85921       111.1660 86.72974 23.32414 60.36071 22.86506 26.36904       32.66231 
1 1 1 -1  5  46 o 69.48746 20.22471 160.1852       87.38273 307.8418       125.9294 23.06475       121.3533 94.87793 22.89569 52.05912 22.29441 42.81881       31.95705 
1 1 1 -1  5  47 f 52.92793 20.37168 71.35693       89.15854 50.47593       124.6670 93.21875       127.5613 55.26238 23.07425 60.71833 24.07330 -5.455948      33.34584 
1 1 1 -1  5  48 o 121.9038 18.56095 487.0431       128.5163 592.9553       148.3533 168.5420       257.2645 134.0496 19.43671 77.23701 32.74764 56.81263       38.08141 
1 1 1 -1  5  49 o 90.96542 20.50211 283.1759       106.7507 489.1855       157.0932 106.4311       145.5081 117.9357 23.53745 63.12208 25.47752 54.81366       34.68596 
1 1 1 -1  5  50 o 221.2934 10.38364 1491.106       134.3866 1759.116       201.4867 1276.341       180.3653 236.2084 14.61615 200.2395 15.47872 35.96896       21.28903 
1 1 1 -1  5  51 o 137.0161 16.11459 606.7242       127.0186 591.2620       190.3389 619.1383       170.5489 125.8485 26.62113 132.7685 22.71921 -6.920044      34.99782 
1 1 1 -1  6  1  o 851.2141 14.56236 21297.05       726.9777 19993.17       935.3652 23286.29       1155.330 824.0040 19.35537 888.7070 22.16650 -64.70300      29.42760 
1 1 1 -1  6  2  o 480.4935 8.734865 6775.844       246.1468 6447.067       326.3549 7209.649       374.8754 468.3721 11.89049 495.2198 12.91842 -26.84775      17.55760 
1 1 1 -1  6  3  o 454.2139 8.348167 6054.488       222.3833 6073.457       315.4289 6035.741       313.5741 454.5936 11.84125 453.1817 11.80830 1.411865       16.72278 
1 1 1 -1  6  4  o 661.0134 10.06338 12827.71       390.1259 12258.10       588.6441 13273.88       520.9753 645.6476 15.54557 672.1260 13.21648 -26.47833      20.40442 
1 1 1 -1  6  5  o 458.2189 6.791764 6160.441       182.5182 6133.380       257.3550 6187.826       258.8912 457.0826 9.600358 459.1061 9.615098 -2.023468      13.58738 
1 1 1 -1  6  6  o 798.9300 10.92784 18746.64       512.0281 19195.68       740.4297 18335.10       708.8370 807.7762 15.62940 789.5129 15.30864 18.26324       21.87767 
1 1 1 -1  6  7  o 529.7319 7.645491 8235.834       237.5265 8284.999       338.0532 8187.894       333.8133 531.0782 10.85365 527.9629 10.78077 3.115295       15.29794 
1 1 1 -1  6  8  o 193.6692 4.544299 1100.256       51.61523 1120.771       73.26123 1080.037       72.73155 195.3279 6.403935 191.7375 6.477228 3.590363       9.108505 
1 1 1 -1  6  9  o 520.6412 7.534062 7957.872       230.0479 7978.597       324.6928 7936.982       325.9847 521.0226 10.62590 519.6542 10.69627 1.368408       15.07713 
1 1 1 -1  6  10 o 397.8061 6.188287 4644.441       144.3751 4647.656       203.9190 4641.210       204.4365 397.7751 8.741170 397.4970 8.769485 0.2780762      12.38192 
1 1 1 -1  6  11 o 414.8373 6.355074 5050.891       154.6140 5125.141       221.7136 4980.598       215.7239 417.6816 9.051000 411.7593 8.933142 5.922272       12.71698 
1 1 1 -1  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  6  13 o 512.2424 7.490731 7701.575       225.0351 7837.544       324.0592 7574.939       312.7380 516.4922 10.69818 507.7834 10.50151 8.708832       14.99109 
1 1 1 -1  6  14 o 627.6939 11.10894 11572.70       408.9507 10977.27       537.4209 12391.73       630.3089 610.9177 14.99966 648.6590 16.58222 -37.74127      22.35978 
1 1 1 -1  6  15 o 425.3685 6.096952 5307.994       152.0998 5386.571       181.1309 5120.084       280.1025 428.4704 7.208107 417.3974 11.45321 11.07294       13.53266 
1 1 1 -1  6  16 o 692.1211 9.872808 14060.63       400.7498 13937.00       484.2663 14329.27       713.8317 688.9136 11.98585 697.9865 17.43807 -9.072937      21.16003 
1 1 1 -1  6  17 o 154.2748 6.068363 699.2598       54.79854 693.4621       63.58049 716.0063       108.0588 153.5798 7.077970 155.6970 11.92469 -2.117279      13.86708 
1 1 1 -1  6  18 o 389.7697 5.915691 4456.490       135.2272 4472.732       157.6081 4411.170       263.2643 390.4546 6.882680 387.4119 11.60000 3.042664       13.48819 
1 1 1 -1  6  19 o 260.2825 5.712115 1987.306       87.19518 2018.855       98.61790 1874.291       186.6489 262.3284 6.410027 252.2830 12.65540 10.04543       14.18618 
1 1 1 -1  6  20 o 679.6590 9.112870 13558.86       363.2426 13568.90       426.0678 13532.13       694.9998 679.7873 10.68698 677.8851 17.49610 1.902161       20.50183 
1 1 1 -1  6  21 o 526.8515 7.435009 8145.233       229.7313 8122.465       266.9577 8210.223       451.0194 526.0489 8.652982 528.2206 14.57285 -2.171692      16.94822 
1 1 1 -1  6  22 o 576.6334 7.913823 9758.996       267.6311 9848.712       317.1263 9536.971       498.8842 579.1773 9.336201 569.1931 14.95775 9.984192       17.63232 
1 1 1 -1  6  23 o 436.6849 6.598550 5595.956       168.9924 5438.777       191.2017 6157.082       361.2632 430.4585 7.573731 457.3289 13.48401 -26.87036      15.46545 
1 1 1 -1  6  24 o 434.0508 6.436185 5529.157       163.8399 5451.256       187.3650 5782.256       337.7242 430.9244 7.413730 443.1235 13.00940 -12.19913      14.97357 
1 1 1 -1  6  25 o 589.1446 9.511160 10199.42       328.6290 10199.42       328.6290 0.000000       0.000000 589.1446 9.511160 ?        ?        0.000000       9.511160 
1 1 1 -1  6  26 o 270.5614 6.080319 2148.785       96.48122 2068.922       109.8921 2417.390       201.5363 265.3450 7.067929 286.3019 12.02949 -20.95691      13.95221 
1 1 1 -1  6  27 o 381.2361 6.669765 4268.052       149.1266 4283.783       178.3843 4231.544       271.7557 381.8215 7.966097 378.7650 12.24982 3.056488       14.61222 
1 1 1 -1  6  28 o 261.4552 5.630906 2006.879       86.34279 2036.348       97.18429 1896.465       188.1167 263.3296 6.292827 253.2457 12.70646 10.08395       14.17934 
1 1 1 -1  6  29 o 432.2535 6.623609 5488.824       167.9128 5308.100       188.8631 6170.531       366.8071 424.9598 7.577898 456.7637 13.70842 -31.80389      15.66350 
1 1 1 -1  6  30 o 158.1879 6.730330 736.6367       62.29693 681.5320       67.39439 1060.123       163.2893 152.0632 7.580902 188.6088 14.88252 -36.54559      16.70208 
1 1 1 -1  6  31 o 70.18719 14.16649 151.0079       56.30139 160.5590       60.66451 91.68288       151.1909 72.32246 14.80152 67.93043 26.42413 4.392036       30.28729 
1 1 1 -1  6  32 o 106.3808 10.36260 336.7477       63.83361 386.9724       69.38148 59.83842       162.9121 114.0889 10.48653 66.09536 26.85605 47.99351       28.83079 
1 1 1 -1  6  33 o 331.0630 6.332681 3220.360       122.9557 3125.459       137.0889 3610.734       278.0405 326.0575 7.168983 349.0471 13.60838 -22.98956      15.38123 
1 1 1 -1  6  34 o 464.2844 7.231366 6337.500       196.9042 6209.847       223.0136 6788.917       419.3779 459.3997 8.277328 478.2736 14.96972 -18.87384      17.10575 
1 1 1 -1  6  35 o 54.34221 19.67681 73.96104       80.66146 28.00879       88.18456 309.3312       199.5790 48.37659 19.72063 99.92492 30.91325 -51.54832      36.66786 
1 1 1 -1  6  36 o 219.7608 8.681854 1424.779       111.6755 1401.231       180.4599 1439.393       142.1678 216.8247 14.27061 220.4810 11.02963 -3.656296      18.03616 
1 1 1 -1  6  37 o 303.6062 7.115327 2712.464       126.6940 2564.128       168.9384 2903.115       191.5243 294.5683 9.792555 313.2945 10.43824 -18.72617      14.31262 
1 1 1 -1  6  38 o 183.8415 10.44652 1002.643       112.1695 952.9958       182.5590 1032.753       142.1716 177.2755 17.79977 185.9800 13.11873 -8.704468      22.11183 
1 1 1 -1  6  39 o 77.49651 17.89955 187.8471       79.71346 178.7520       107.2439 199.0754       119.1588 75.77074 22.50097 79.76982 23.72529 -3.999084      32.69837 
1 1 1 -1  6  40 o 271.5767 7.565279 2176.563       120.3773 2252.825       163.2741 2085.742       178.1792 275.6118 10.11829 264.7427 11.50324 10.86911       15.32006 
1 1 1 -1  6  41 o 63.25530 19.89933 122.4364       82.33205 23.73558       113.4857 232.1091       119.6272 52.37909 21.95289 84.86931 23.31912 -32.49022      32.02672 
1 1 1 -1  6  42 f 135.8658 10.78656 553.8380       85.24456 571.3736       117.5995 534.4223       123.7430 136.6396 14.91702 131.5323 16.39627 5.107346       22.16653 
1 1 1 -1  6  43 o 151.7271 9.926980 689.4587       87.84949 722.3270       126.5173 658.8567       122.0775 153.6805 14.19765 146.6429 14.37929 7.037598       20.20735 
1 1 1 -1  6  44 o 43.01794 17.97638 18.36396       75.75783 57.15130       112.6508 -13.66193      102.3622 55.26601 22.37740 45.13021 19.88268 10.13580       29.93441 
1 1 1 -1  6  45 o 165.7541 9.672481 824.8074       93.61845 905.8177       134.4955 748.6639       130.3928 171.9140 13.44660 155.6813 14.44605 16.23267       19.73574 
1 1 1 -1  6  46 f 45.00315 18.92337 21.33937       84.75366 -49.05309      122.5346 85.90411       117.3528 45.56559 20.76767 58.89797 23.17126 -13.33238      31.11596 
1 1 1 -1  6  47 o 114.5683 14.82417 413.1501       97.27325 357.7679       133.5372 475.7575       141.9811 101.9024 22.90335 119.2269 21.07585 -17.32449      31.12482 
1 1 1 -1  6  48 o 115.9781 15.82499 429.5886       104.8342 465.0381       146.7731 392.6673       149.7888 116.3603 22.31927 104.9153 24.74759 11.44499       33.32556 
1 1 1 -1  6  49 o 158.4521 12.64737 777.8887       116.5552 667.3100       170.3169 875.2919       159.8485 140.0441 21.41626 164.9166 16.75953 -24.87250      27.19445 
1 1 1 -1  6  50 o 147.2272 13.94230 682.4453       118.9508 805.5758       182.0831 590.7740       157.1100 154.1422 20.66165 131.3914 21.10285 22.75075       29.53361 
1 1 1 -1  6  51 o 122.2989 17.17167 490.5113       119.7764 586.4366       179.8324 414.0284       160.5771 126.8954 25.05370 105.0159 26.16799 21.87955       36.22777 
1 1 1 -1  7  1  o 338.4242 6.764820 3360.273       134.2666 3078.326       172.1460 3798.192       214.5410 323.7195 9.076251 359.5363 10.18486 -35.81677      13.64220 
1 1 1 -1  7  2  o 523.8138 9.395787 8054.318       288.6428 7891.791       397.3756 8235.850       419.9655 518.0830 13.08878 529.2139 13.54219 -11.13086      18.83367 
1 1 1 -1  7  3  o 399.9764 7.606701 4694.581       178.4355 4544.705       242.6151 4871.169       263.3500 393.2722 10.52846 407.1212 11.03977 -13.84906      15.25533 
1 1 1 -1  7  4  o 135.1186 5.194304 536.3416       41.08500 500.8743       59.12099 569.4671       57.13578 130.4126 7.765013 139.1345 7.024738 -8.721893      10.47103 
1 1 1 -1  7  5  o 431.2249 7.169393 5456.767       181.3162 5374.953       281.9149 5514.484       236.7880 427.6117 11.25111 433.3940 9.315933 -5.782288      14.60733 
1 1 1 -1  7  6  o 726.5668 10.13310 15504.12       431.7857 15612.29       616.7758 15400.15       604.6783 728.5144 14.43573 723.5771 14.24915 4.937256       20.28370 
1 1 1 -1  7  7  o 162.3567 4.748457 773.9265       45.16546 768.7419       62.38868 779.6357       65.46987 161.7182 6.591856 162.8452 6.870573 -1.127014      9.521415 
1 1 1 -1  7  8  f 750.6082 10.36770 16556.94       456.4007 16293.29       632.7436 16842.88       658.9498 743.8444 14.50424 756.2075 14.85802 -12.36310      20.76376 
1 1 1 -1  7  9  o 199.1201 4.640265 1163.206       54.18867 1172.374       76.43282 1153.941       76.83749 199.7503 6.533208 198.1667 6.620672 1.583572       9.301403 
1 1 1 -1  7  10 o 233.1644 4.788157 1595.037       65.47587 1575.790       91.86738 1614.907       93.34400 231.5947 6.770935 234.4524 6.795786 -2.857697      9.593137 
1 1 1 -1  7  11 o 95.49212 5.842257 268.5892       32.56231 224.2623       46.67859 310.6064       45.44624 86.87775 9.306165 102.5751 7.608674 -15.69736      12.02067 
1 1 1 -1  7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  7  13 o 530.3953 9.641268 8260.629       299.9054 7822.542       394.8608 8857.898       461.0512 515.6808 13.06660 548.5956 14.34231 -32.91479      19.40200 
1 1 1 -1  7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  7  15 o 277.2800 6.698370 2255.589       108.9277 2167.579       146.8627 2363.207       162.4005 271.6033 9.233320 283.5749 9.779568 -11.97159      13.44969 
1 1 1 -1  7  16 o 478.1138 7.299446 6706.727       204.6782 6772.200       251.4982 6578.306       352.2285 480.3795 8.926885 473.0929 12.70635 7.286591       15.52871 
1 1 1 -1  7  17 o 317.5488 5.367774 2957.786       99.96669 2972.872       115.9139 2913.993       197.4887 318.3421 6.208557 314.8726 10.71000 3.469543       12.37943 
1 1 1 -1  7  18 o 37.86015 14.53011 27.88624       45.26645 30.56917       48.31427 8.611588       129.4983 39.28653 15.02791 55.38990 23.34673 -16.10337      27.76523 
1 1 1 -1  7  19 o 276.4341 5.866032 2241.664       95.10134 2244.627       107.2127 2230.727       205.9794 276.6025 6.609057 275.2652 12.79415 1.337280       14.40035 
1 1 1 -1  7  20 o 1135.027 14.43042 37872.40       960.5843 37873.25       1131.954 37870.22       1815.766 1134.485 17.01295 1131.318 27.36685 3.167114       32.22398 
1 1 1 -1  7  21 o 358.9233 6.111466 3779.537       128.6464 3728.860       145.6486 3959.377       274.3739 356.4825 6.966544 366.8372 12.77268 -10.35468      14.54902 
1 1 1 -1  7  22 o 151.0365 6.891949 670.8026       60.88756 618.1793       65.65602 994.1110       162.7398 144.9215 7.753092 183.1720 15.28830 -38.25053      17.14183 
1 1 1 -1  7  23 o 895.2590 11.44421 23557.59       600.8765 23509.71       704.3962 23685.51       1151.436 893.9551 13.43541 894.9025 21.93884 -0.9473877     25.72592 
1 1 1 -1  7  24 o 315.7755 8.270767 2930.180       153.0385 2930.180       153.0385 0.000000       0.000000 315.7755 8.270767 ?        ?        0.000000       8.270767 
1 1 1 -1  7  25 o 98.13476 11.49266 287.1503       64.89301 244.6315       73.08965 445.4635       141.0340 90.01739 14.32403 120.9927 20.61359 -30.97533      25.10176 
1 1 1 -1  7  26 o 347.5891 6.377015 3547.003       129.9972 3464.553       151.1976 3780.731       254.5680 343.4479 7.506429 358.1060 12.13864 -14.65811      14.27211 
1 1 1 -1  7  27 o 628.2375 8.502764 11601.72       313.2814 11593.14       367.2287 11624.65       600.4391 627.7191 9.975181 626.6049 16.35295 1.114258       19.15524 
1 1 1 -1  7  28 o 429.5863 7.136885 5422.009       179.8083 5283.397       210.1621 5800.604       347.3293 423.8948 8.453680 443.0592 13.38219 -19.16443      15.82870 
1 1 1 -1  7  29 o 171.5359 7.376564 866.4152       74.03608 862.2628       83.12338 882.3524       162.8466 171.0283 8.312030 171.7428 16.36536 -0.7144928     18.35524 
1 1 1 -1  7  30 o 347.0626 5.946044 3537.991       121.0282 3579.047       139.6628 3414.198       242.5181 348.9788 6.823876 339.8221 12.18838 9.156616       13.96860 
1 1 1 -1  7  31 o 289.8327 5.839818 2467.465       99.26523 2420.048       110.9423 2657.813       222.2818 286.9677 6.591942 299.6026 12.67917 -12.63483      14.29039 
1 1 1 -1  7  32 o 42.62709 17.58037 16.64636       71.12499 40.53137       78.43033 -93.94660      168.7661 48.15242 18.94313 53.84378 24.47517 -5.691357      30.94958 
1 1 1 -1  7  33 o 80.83549 20.74660 203.0304       98.84261 224.7353       118.8564 154.3605       177.9812 85.02938 23.19591 78.81548 29.11774 6.213905       37.22758 
1 1 1 -1  7  34 o 161.7288 8.876801 772.3361       83.87370 761.6334       91.08206 832.0372       215.1178 160.4899 9.722469 164.8482 22.86544 -4.358292      24.84663 
1 1 1 -1  7  35 o 288.9722 6.514122 2454.354       110.3983 2363.157       120.8242 2915.422       271.6718 283.3791 7.276039 313.0979 14.83718 -29.71875      16.52521 
1 1 1 -1  7  36 o 101.9909 12.54001 312.4635       73.43126 281.1332       78.39294 536.7257       209.7362 96.30398 14.31445 129.8354 28.34139 -33.53141      31.75119 
1 1 1 -1  7  37 f 141.6949 11.28288 597.7534       92.98766 556.1666       101.6396 811.2982       230.3192 136.3306 12.86425 161.0539 25.21052 -24.72327      28.30299 
1 1 1 -1  7  38 o 53.96348 20.49208 64.81784       89.42133 -165.3294      164.9277 160.6419       106.4211 48.12550 22.65995 72.54456 22.59504 -24.41905      32.00014 
1 1 1 -1  7  39 o 239.4224 7.610614 1691.105       106.7291 1633.309       139.2324 1773.455       166.1983 234.7435 10.13727 244.2174 11.63726 -9.473938      15.43341 
1 1 1 -1  7  40 o 150.0349 10.73025 671.0799       93.79417 753.1823       128.2985 576.8259       137.4654 158.1264 13.97841 137.1423 17.48849 20.98416       22.38846 
1 1 1 -1  7  41 o 189.7567 8.861875 1068.374       98.34946 1088.614       137.3202 1047.058       140.9240 190.5090 12.35714 186.6154 12.95664 3.893585       17.90457 
1 1 1 -1  7  42 o 106.2612 13.40249 345.0937       81.66973 385.3541       112.6556 300.4965       118.5679 110.7238 17.96353 96.18647 21.55371 14.53731       28.05799 
1 1 1 -1  7  43 o 121.5538 11.69171 447.6151       82.32156 334.2982       115.2897 565.4884       117.5847 101.7141 20.03987 135.4189 15.05987 -33.70486      25.06783 
1 1 1 -1  7  44 o 79.98073 17.22071 205.2776       78.38543 195.6682       114.7387 213.6875       107.3384 76.79510 23.38063 80.16232 22.11383 -3.367218      32.18191 
1 1 1 -1  7  45 o 47.55862 19.20721 40.78283       82.75396 -79.15173      123.7613 137.7686       111.2927 43.73524 20.27177 66.38696 23.20817 -22.65171      30.81499 
1 1 1 -1  7  46 o 211.4332 8.873433 1339.076       109.7865 1356.148       152.5682 1320.742       158.1028 210.6880 12.40220 207.4594 13.06067 3.228653       18.01099 
1 1 1 -1  7  47 o 113.1224 14.96421 403.6752       96.84530 639.5093       138.2733 176.5930       135.6833 141.4155 17.01345 72.51723 25.60351 68.89826       30.74080 
1 1 1 -1  7  48 o 130.1213 14.25178 531.7537       106.9827 588.1168       158.0735 484.1171       145.3222 132.0498 21.12288 119.2697 21.56925 12.78011       30.18955 
1 1 1 -1  7  49 o 49.68208 21.10410 31.28288       107.1850 122.1112       161.2540 -40.61142      143.4654 66.05801 26.76364 49.13014 22.42270 16.92787       34.91518 
1 1 1 -1  7  50 o 93.68372 21.15980 305.5607       113.5035 339.7182       164.3643 274.4232       156.9302 93.67527 27.86541 84.63542 27.56196 9.039848       39.19366 
1 1 1 -1  7  51 o 61.65791 23.89900 115.5684       123.3372 330.6490       180.7663 -71.77426      168.7077 90.64138 29.58546 50.41540 23.47024 40.22598       37.76442 
1 1 1 -1  8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  2  o 713.8355 12.38168 14973.17       518.3561 14079.57       670.3434 16302.14       817.4967 691.6500 16.52572 743.6151 18.76006 -51.96515      25.00079 
1 1 1 -1  8  3  o 586.4673 10.38057 10101.02       357.0390 9941.427       494.3026 10275.11       516.2725 581.3984 14.49668 590.8388 14.91100 -9.440430      20.79643 
1 1 1 -1  8  4  o 401.2239 7.663300 4724.708       180.3238 4678.185       251.2618 4774.119       258.9445 398.9306 10.74916 402.9832 10.96663 -4.052521      15.35615 
1 1 1 -1  8  5  f 444.1185 7.419601 5789.042       193.2547 5886.597       310.4758 5727.339       246.9196 447.3798 11.84358 441.6168 9.533658 5.763000       15.20398 
1 1 1 -1  8  6  o 156.5992 5.060861 720.1995       46.41878 787.0116       67.26694 659.4603       64.13699 163.6017 7.027116 149.7118 7.326948 13.88991       10.15207 
1 1 1 -1  8  7  o 701.2996 9.831612 14451.02       404.3699 14101.67       558.8326 14834.98       585.8547 692.1049 13.76763 709.8096 14.07335 -17.70471      19.68773 
1 1 1 -1  8  8  o 234.6461 4.883493 1615.385       67.20389 1586.633       94.33640 1645.013       95.76092 232.3834 6.929614 236.6252 6.907834 -4.241776      9.784565 
1 1 1 -1  8  9  o 138.4707 5.093041 563.3492       41.29000 606.3596       60.77367 526.4752       56.27161 143.5312 7.243101 133.7201 7.201906 9.811096       10.21420 
1 1 1 -1  8  10 o 257.8022 5.007546 1949.977       75.71154 1926.737       106.2349 1973.965       107.9298 256.0944 7.080004 259.2147 7.106261 -3.120331      10.03122 
1 1 1 -1  8  11 o 184.2659 4.840845 996.7857       52.26855 1046.440       75.46545 951.0027       72.46368 188.7002 6.830338 179.8746 6.881794 8.825592       9.696011 
1 1 1 -1  8  12 o 346.1724 9.756112 3522.012       197.8730 3439.931       280.4112 3603.421       279.2616 341.6962 14.02260 349.7787 13.63957 -8.082550      19.56198 
1 1 1 -1  8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  14 o 706.4626 10.70730 14653.35       443.6287 13711.92       651.3214 15468.08       605.9086 682.8396 16.26395 725.4915 14.24047 -42.65186      21.61729 
1 1 1 -1  8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  17 o 777.2842 10.05402 17734.98       458.3213 17574.86       531.8718 18196.83       903.2841 773.6231 11.72268 786.2009 19.59026 -12.57782      22.82980 
1 1 1 -1  8  18 o 279.1521 5.694280 2285.888       93.22454 2316.112       105.1731 2175.083       201.3766 280.9789 6.382347 271.8206 12.66695 9.158356       14.18401 
1 1 1 -1  8  19 o 865.7677 11.13980 22011.28       565.6260 22194.92       671.2098 21561.37       1050.589 869.1248 13.16818 855.3240 20.94362 13.80078       24.73936 
1 1 1 -1  8  20 f 592.9875 8.045329 10319.65       279.7950 10566.14       335.5161 9756.840       506.9861 599.9288 9.535931 575.8143 15.02569 24.11450       17.79622 
1 1 1 -1  8  21 o 501.9357 7.124501 7393.008       209.7264 7583.347       250.0463 6941.392       385.1607 508.2872 8.388045 485.7324 13.53374 22.55475       15.92236 
1 1 1 -1  8  22 o 461.5112 6.725820 6250.298       182.0447 6259.015       211.7372 6225.592       356.4706 461.7739 7.818388 459.9303 13.22917 1.843567       15.36679 
1 1 1 -1  8  23 o 165.9473 6.551176 809.4498       63.63350 781.5939       69.37198 957.2322       159.7853 163.0164 7.274406 179.6323 15.31293 -16.61586      16.95296 
1 1 1 -1  8  24 o 716.7537 9.391076 15094.17       394.7624 15152.59       465.1904 14943.85       746.2022 717.8700 11.04929 711.1273 17.90623 6.742676       21.04091 
1 1 1 -1  8  25 o 448.1727 6.584151 5896.580       173.0596 5796.966       197.2871 6229.078       360.4423 444.2904 7.571488 459.6337 13.38555 -15.34332      15.37857 
1 1 1 -1  8  26 o 297.9507 6.194272 2606.253       108.2394 2565.507       124.6005 2731.566       218.5092 295.5527 7.188437 304.2672 12.27032 -8.714508      14.22091 
1 1 1 -1  8  27 o 242.0255 6.325155 1721.267       89.70373 1721.096       102.3430 1721.837       186.3391 241.9371 7.220903 241.2225 13.22207 0.7145538      15.06534 
1 1 1 -1  8  28 o 284.2791 5.735930 2372.864       95.63115 2341.270       106.5106 2504.249       217.2001 282.3332 6.432512 291.0272 12.75652 -8.694061      14.28657 
1 1 1 -1  8  29 o 256.1622 6.367416 1927.638       95.65965 1885.136       109.8580 2060.920       194.5435 253.1353 7.407916 263.8899 12.60670 -10.75467      14.62211 
1 1 1 -1  8  30 o 192.9181 6.375287 1094.664       72.03212 1110.223       80.28194 1030.420       163.1367 194.2196 7.059881 185.8525 15.09682 8.367096       16.66601 
1 1 1 -1  8  31 o 411.0121 6.485950 4964.105       156.3431 5008.538       182.0325 4839.164       305.2469 412.6985 7.520827 404.3593 12.88808 8.339203       14.92198 
1 1 1 -1  8  32 o 353.7344 7.379681 3679.218       153.0965 3813.209       190.2610 3433.106       257.8564 359.7645 9.024513 340.5028 12.93592 19.26169       15.77275 
1 1 1 -1  8  33 o 73.07825 19.37571 165.1489       84.37978 177.7829       93.08067 106.8914       199.8781 75.80606 20.46341 76.20702 30.15956 -0.4009628     36.44654 
1 1 1 -1  8  34 o 149.2149 9.227901 658.2081       80.35915 648.9572       86.71361 714.4777       213.8605 148.0474 10.04653 151.9286 24.86066 -3.881180      26.81390 
1 1 1 -1  8  35 o 129.0608 10.35868 494.4958       77.74813 484.2229       83.90879 556.8474       206.7220 127.5493 11.33498 132.7845 27.45275 -5.235138      29.70076 
1 1 1 -1  8  36 o 192.0376 7.905086 1087.524       88.84109 1081.045       95.40075 1129.833       243.7983 191.3767 8.521235 192.2155 22.02404 -0.8387604     23.61504 
1 1 1 -1  8  37 o 102.6273 13.50115 318.1341       79.29237 343.5682       84.57819 133.5196       227.8678 106.6374 13.85072 81.19938 32.18087 25.43805       35.03500 
1 1 1 -1  8  38 o 62.52299 20.11177 116.1667       83.71309 111.2015       90.10611 147.4792       226.2798 62.16485 20.90945 82.03294 32.20491 -19.86809      38.39741 
1 1 1 -1  8  39 o 384.6862 7.433462 4361.013       167.7059 4398.703       227.9581 4316.547       247.6016 385.4131 10.09374 381.4136 11.08070 3.999512       14.98885 
1 1 1 -1  8  40 o 322.3358 8.634875 3072.855       163.0887 2947.599       258.7229 3155.442       210.0839 313.4766 14.10892 325.7796 11.01141 -12.30301      17.89728 
1 1 1 -1  8  41 o 134.0342 11.17392 538.8802       87.03751 634.7703       118.9765 428.4805       127.6611 144.5991 14.21307 116.7545 19.31883 27.84462       23.98392 
1 1 1 -1  8  42 o 96.78896 14.79255 290.0595       81.30756 247.5180       114.6722 333.0704       115.3029 86.85458 22.37472 101.8684 20.01390 -15.01380      30.01974 
1 1 1 -1  8  43 o 61.79718 19.40668 120.0952       78.33923 44.56176       110.9607 195.1614       110.6169 53.57022 22.01187 76.99713 22.84881 -23.42691      31.72681 
1 1 1 -1  8  44 o 39.40206 17.54595 -21.73643      81.83593 -195.0901      118.2158 137.7847       113.4013 35.65772 17.38895 66.90073 23.42419 -31.24301      29.17308 
1 1 1 -1  8  45 o 125.0401 12.66092 479.7186       91.56824 491.8086       130.6705 468.0534       128.3547 123.6159 18.59988 120.4407 18.78403 3.175171       26.43474 
1 1 1 -1  8  46 f 42.57873 18.69510 -7.039279      89.79530 -23.79574      129.9459 8.274625       124.2265 48.99401 21.94300 50.92172 22.18145 -1.927708      31.20116 
1 1 1 -1  8  47 o 63.74738 21.65857 131.9416       96.68542 57.25344       139.6665 200.6702       133.9785 57.84407 24.30561 75.94567 25.49626 -18.10160      35.22530 
1 1 1 -1  8  48 o 53.31377 21.40083 64.87005       102.0613 -67.68810      151.7645 174.3181       137.9022 48.79453 22.55771 71.53938 25.75139 -22.74485      34.23426 
1 1 1 -1  8  49 o 151.4777 12.78101 712.6747       112.4856 871.9307       164.1103 571.5552       154.4833 163.9857 17.32558 129.6339 21.04019 34.35181       27.25556 
1 1 1 -1  8  50 o 46.68780 20.54654 3.189563       109.0358 -189.2352      161.5474 164.1958       147.7716 43.14299 20.87288 69.51833 26.35574 -26.37534      33.61996 
1 1 1 -1  8  51 o 167.2505 12.47323 870.3237       121.4670 767.8963       166.3307 987.3679       177.8032 151.3632 19.16608 173.2977 17.74457 -21.93442      26.11912 
1 1 1 -1  9  1  o 502.5602 9.135859 7415.982       269.2701 6947.825       348.9411 8105.159       423.3715 486.0303 12.25137 524.7757 13.76806 -38.74539      18.42974 
1 1 1 -1  9  2  o 343.1256 6.921834 3455.133       139.2916 3227.169       182.2565 3775.283       215.9872 331.3727 9.387580 358.3552 10.28759 -26.98254      13.92699 
1 1 1 -1  9  3  o 224.8053 5.051609 1482.594       66.60193 1443.156       82.19785 1557.975       113.6424 221.6777 6.328964 230.2066 8.431533 -8.528885      10.54261 
1 1 1 -1  9  4  o 166.7513 5.776253 816.8498       56.40396 853.0905       78.24396 777.6428       81.38312 170.2879 7.855761 162.5136 8.569027 7.774261       11.62502 
1 1 1 -1  9  5  o 580.2990 9.240604 9891.586       314.4870 9922.693       498.3387 9870.998       405.4104 580.2786 14.65498 579.3651 11.93142 0.9135132      18.89780 
1 1 1 -1  9  6  o 357.1849 6.452458 3744.519       135.1664 3801.176       214.6166 3707.272       174.0144 359.4931 10.18968 355.2965 8.351102 4.196564       13.17462 
1 1 1 -1  9  7  o 174.1652 5.149807 890.8043       52.54430 907.7846       75.19512 874.6015       73.45322 175.6889 7.313844 172.4447 7.279279 3.244171       10.31892 
1 1 1 -1  9  8  f 485.5862 7.283693 6922.637       207.4285 6941.788       295.8879 6904.131       290.8728 485.9584 10.38192 484.6552 10.23340 1.303192       14.57761 
1 1 1 -1  9  9  o 406.6041 6.303081 4852.141       150.3056 4813.428       212.0739 4891.213       213.0580 404.8053 8.932858 408.0653 8.902616 -3.260040      12.61160 
1 1 1 -1  9  10 f 515.1591 7.500835 7790.501       226.6217 7772.930       319.4178 7808.311       321.5759 514.3061 10.58978 515.4704 10.63725 -1.164307      15.00981 
1 1 1 -1  9  11 o 243.0242 5.115238 1732.606       72.90643 1738.445       102.4264 1726.609       103.7978 243.2783 7.186783 242.4411 7.308486 0.8372345      10.25006 
1 1 1 -1  9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  13 o 690.6855 12.09960 14011.78       490.1194 13651.68       667.4496 14433.17       722.0304 681.2470 16.70565 700.1366 17.59813 -18.88959      24.26464 
1 1 1 -1  9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  16 o 529.4205 7.831886 8224.146       243.1743 8130.641       336.9374 8325.802       351.3137 526.2488 10.91711 532.5074 11.24913 -6.258667      15.67565 
1 1 1 -1  9  17 o 117.2302 13.72355 409.2898       92.56950 411.8850       115.5131 404.6317       154.7570 117.0764 17.34743 115.0388 23.72614 2.037598       29.39154 
1 1 1 -1  9  18 o 329.8182 6.830042 3191.512       132.1139 3268.213       156.3790 3000.272       246.9269 333.7258 7.989840 319.2838 13.21542 14.44208       15.44295 
1 1 1 -1  9  19 o 445.5850 6.845201 5825.420       178.8822 5769.870       205.0014 6002.702       366.2223 443.4145 7.883089 451.7095 13.84037 -8.295074      15.92793 
1 1 1 -1  9  20 o 96.31453 10.77778 275.8306       59.83691 280.8080       64.32389 243.8410       163.0692 97.09576 11.52017 90.74819 27.92008 6.347572       30.20340 
1 1 1 -1  9  21 o 498.1333 7.086408 7281.716       207.0247 7236.991       238.8116 7416.976       415.3042 496.5387 8.200716 501.9891 14.12060 -5.450409      16.32921 
1 1 1 -1  9  22 o 639.5594 8.536490 12009.73       320.1922 11943.06       372.6298 12197.89       625.9741 637.6352 9.964482 643.2042 16.60812 -5.569031      19.36803 
1 1 1 -1  9  23 f 67.07767 15.10338 137.7938       57.98091 137.7938       57.98091 0.000000       0.000000 67.07767 15.10338 ?        ?        0.000000       15.10338 
1 1 1 -1  9  24 o 794.1068 10.26366 18537.86       478.0042 18507.39       559.9664 18619.70       917.6871 793.0833 12.03906 793.2053 19.72688 -0.1219482     23.11036 
1 1 1 -1  9  25 o 472.0552 6.778315 6542.752       187.6571 6644.793       221.9521 6286.951       351.4182 475.6074 7.957196 461.7691 12.98915 13.83835       15.23269 
1 1 1 -1  9  26 o 120.3405 9.122650 428.2299       63.90519 405.0149       70.97051 527.7192       146.9200 116.8541 10.46653 131.9606 19.57654 -15.10657      22.19886 
1 1 1 -1  9  27 o 451.3564 7.325894 5985.723       193.9237 5995.819       232.5391 5962.669       351.4032 451.5427 8.781055 449.2656 13.35163 2.277130       15.98039 
1 1 1 -1  9  28 o 217.1419 6.792911 1386.594       86.40034 1503.368       100.4326 1054.090       169.4728 226.0314 7.587020 188.0540 15.50381 37.97740       17.26068 
1 1 1 -1  9  29 o 356.3742 6.138371 3730.633       128.2951 3776.311       147.8222 3591.191       258.2755 358.4528 7.031649 348.4500 12.65944 10.00284       14.48122 
1 1 1 -1  9  30 o 231.0250 6.836688 1570.015       92.52885 1670.489       107.9853 1292.457       179.4795 238.2054 7.739972 208.3270 14.78598 29.87836       16.68929 
1 1 1 -1  9  31 o 276.1112 5.994516 2239.608       97.07082 2202.500       107.8042 2398.616       223.1578 273.7514 6.714732 284.4119 13.41652 -10.66046      15.00302 
1 1 1 -1  9  32 o 135.3689 9.245563 542.1184       72.96051 567.0375       79.91034 417.2621       178.8716 138.3704 9.912796 115.0261 26.98379 23.34429       28.74698 
1 1 1 -1  9  33 o 322.1120 6.613292 3049.112       124.9324 2981.364       139.5510 3322.601       280.3857 318.4182 7.472822 334.6208 14.32049 -16.20258      16.15300 
1 1 1 -1  9  34 o 182.6449 8.064402 983.4391       86.17042 1008.568       93.04450 831.9786       228.4307 184.9010 8.603862 164.2736 24.45468 20.62740       25.92408 
1 1 1 -1  9  35 o 219.6677 7.306892 1420.966       94.00364 1359.488       101.2858 1802.972       252.4789 214.7596 8.055931 245.1269 17.68120 -30.36723      19.42994 
1 1 1 -1  9  36 o 389.1667 6.811432 4454.793       155.4621 4465.511       174.3398 4413.185       343.4946 389.4818 7.632363 384.6922 15.25521 4.789612       17.05797 
1 1 1 -1  9  37 o 81.99390 19.78624 210.8149       94.04836 242.7191       103.6804 62.64496       223.4362 87.90736 20.49050 74.25674 30.93913 13.65062       37.10917 
1 1 1 -1  9  38 o 91.11864 15.09448 254.2757       77.84170 283.8178       82.55042 17.25883       233.8236 96.38041 15.09977 71.76488 30.84369 24.61552       34.34146 
1 1 1 -1  9  39 o 99.12622 17.20452 303.8946       96.39325 314.3817       103.6480 236.7499       262.2633 100.5676 18.24497 93.14714 35.15702 7.420433       39.60928 
1 1 1 -1  9  40 f 61.20869 20.30702 110.6423       85.03365 271.1996       121.0217 -45.91351      119.5041 91.88256 22.61386 46.66121 20.95912 45.22136       30.83296 
1 1 1 -1  9  41 o 65.83107 19.16550 136.6490       78.46043 64.09200       110.6789 209.9473       111.2429 56.68083 22.43927 80.54777 22.62231 -23.86694      31.86361 
1 1 1 -1  9  42 o 76.92452 18.41006 190.0740       81.94678 115.0603       115.9497 264.9340       115.8309 64.22726 23.54055 89.79395 22.13773 -25.56669      32.31465 
1 1 1 -1  9  43 o 37.04271 16.86570 -41.71732      80.55048 97.89709       117.1272 -167.0037      110.9544 61.47156 23.42677 35.55305 17.22412 25.91851       29.07721 
1 1 1 -1  9  44 o 250.5182 8.052515 1867.139       118.1563 1896.484       163.8369 1835.335       170.5624 250.8326 11.16521 246.3319 11.84093 4.500687       16.27481 
1 1 1 -1  9  45 o 129.2976 12.67269 513.3267       94.86410 578.0177       136.2389 452.4423       132.1698 134.5587 17.69210 117.5998 19.87073 16.95895       26.60557 
1 1 1 -1  9  46 o 250.4258 8.226254 1873.290       120.6541 1894.221       164.5591 1848.957       177.4279 249.8394 11.25973 246.0031 12.33727 3.836334       16.70299 
1 1 1 -1  9  47 o 215.9551 9.339879 1404.151       118.0123 1371.967       164.8545 1437.980       169.0123 210.5757 13.41861 215.5858 13.43419 -5.010117      18.98779 
1 1 1 -1  9  48 o 143.6633 13.50032 644.1635       112.4141 501.7724       160.0981 782.6368       157.8803 119.5091 23.67945 155.2997 17.64689 -35.79055      29.53183 
1 1 1 -1  9  49 o 80.08632 22.43628 226.8793       109.5659 245.0020       159.8161 210.8075       150.5021 80.87437 27.83602 76.24813 26.96138 4.626244       38.75255 
1 1 1 -1  9  50 o 56.30954 22.16064 86.14709       107.3720 20.78358       147.4769 159.8757       156.6299 54.22942 23.87937 69.30920 26.91346 -15.07977      35.97998 
1 1 1 -1  9  51 o 120.2244 16.56525 472.4435       113.6984 488.8554       152.7709 452.0660       170.2298 117.0080 23.08281 108.8193 26.84268 8.188751       35.40262 
1 1 1 -1  10 1  o 425.5589 8.059639 5317.418       201.1527 5052.683       266.9550 5665.175       305.9640 414.4555 10.99242 438.7602 11.90128 -24.30469      16.20104 
1 1 1 -1  10 2  o 420.8731 7.999556 5201.083       197.4548 4846.431       255.3463 5728.576       311.4125 405.9161 10.73554 441.1700 12.04720 -35.25391      16.13651 
1 1 1 -1  10 3  f 219.4014 4.989292 1412.307       64.19908 1433.770       80.49071 1374.780       106.4323 220.9427 6.217957 216.1989 8.410049 4.743790       10.45906 
1 1 1 -1  10 4  o 432.5095 8.158876 5493.405       206.9553 5536.094       294.4308 5451.717       290.9581 433.7141 11.58559 430.4005 11.53716 3.313660       16.35029 
1 1 1 -1  10 5  o 229.5155 5.996408 1547.006       80.64577 1557.326       112.0253 1535.905       116.1893 230.1228 8.314199 228.5026 8.685922 1.620209       12.02377 
1 1 1 -1  10 6  o 367.6268 6.671206 3967.119       143.8342 4103.035       230.8286 3880.849       183.9017 373.4396 10.55004 363.4838 8.626809 9.955841       13.62810 
1 1 1 -1  10 7  o 195.9900 5.586956 1128.079       64.15289 1130.440       95.39490 1126.129       86.68150 196.0169 8.317048 195.6980 7.566736 0.3189087      11.24406 
1 1 1 -1  10 8  o 392.7507 6.331696 4527.021       145.8437 4644.440       211.3590 4420.297       201.5021 397.6399 9.063171 387.9409 8.856526 9.699036       12.67198 
1 1 1 -1  10 9  o 185.4109 5.264240 1009.399       57.18495 988.4069       80.13252 1031.183       81.63177 183.3477 7.467798 187.2809 7.447009 -3.933212      10.54637 
1 1 1 -1  10 10 o 180.6140 6.179686 958.2729       65.36243 963.5695       78.35254 946.1521       118.5288 181.0444 7.394903 179.0900 11.34330 1.954422       13.54086 
1 1 1 -1  10 11 o 460.4187 7.010500 6220.247       189.3008 6070.636       261.8951 6383.928       273.9342 454.7064 9.820773 466.2801 10.01726 -11.57364      14.02829 
1 1 1 -1  10 12 o 956.1622 14.13415 26869.93       792.5956 26312.13       1240.602 27254.62       1030.273 944.5743 22.39473 962.2559 18.25623 -17.68152      28.89315 
1 1 1 -1  10 13 f 523.4395 9.611115 8041.994       295.0468 7902.632       405.8611 8198.188       429.6747 518.4853 13.35834 528.0459 13.88656 -9.560608      19.26867 
1 1 1 -1  10 14 o 161.6475 8.099114 768.6442       76.53699 650.6100       100.1212 934.6013       118.7190 148.4046 11.59544 178.0471 11.42970 -29.64246      16.28165 
1 1 1 -1  10 15 o 568.3629 9.050453 9480.422       301.6800 8670.199       430.5740 10261.70       422.8119 543.2603 13.51417 591.1211 12.19608 -47.86084      18.20376 
1 1 1 -1  10 16 o 226.2109 8.259162 1503.606       109.3882 1443.815       141.0816 1593.733       173.2123 221.4900 10.89433 232.5851 12.74705 -11.09514      16.76823 
1 1 1 -1  10 17 o 444.7877 7.283711 5804.693       190.0010 5959.547       274.7711 5662.803       263.0182 450.5452 10.39878 439.1943 10.21124 11.35089       14.57408 
1 1 1 -1  10 18 f 242.9765 9.617787 1735.791       136.7827 1524.268       174.1418 2076.489       221.0083 227.3877 13.11390 265.4105 14.25067 -38.02283      19.36636 
1 1 1 -1  10 19 o 342.2065 6.058735 3435.577       121.5964 3381.955       136.7753 3637.738       265.5736 339.5027 6.869324 351.6058 12.90076 -12.10309      14.61565 
1 1 1 -1  10 20 o 758.5870 9.866597 16897.38       438.9584 17068.36       521.9192 16484.10       811.4394 762.2088 11.67559 747.9809 18.49759 14.22791       21.87419 
1 1 1 -1  10 21 o 586.7345 7.930602 10105.18       272.8967 10233.69       323.0415 9784.927       509.9680 590.3385 9.330540 576.4003 15.09880 13.93817       17.74916 
1 1 1 -1  10 22 o 237.9393 7.908207 1663.969       110.2024 1663.969       110.2024 0.000000       0.000000 237.9393 7.908207 ?        ?        0.000000       7.908207 
1 1 1 -1  10 23 o 438.7222 6.479207 5649.373       166.7101 5711.520       194.8798 5479.804       321.9062 441.0571 7.533931 431.3323 12.73922 9.724792       14.80027 
1 1 1 -1  10 24 o 68.37576 13.06506 142.2643       50.48234 165.2740       54.27639 -5.272132      137.4371 73.84097 13.00826 55.34631 23.71451 18.49467       27.04797 
1 1 1 -1  10 25 o 121.0983 8.682248 433.1926       61.25326 411.4854       66.87646 546.2320       152.6110 117.8915 9.759910 134.2759 19.98763 -16.38439      22.24323 
1 1 1 -1  10 26 o 79.62855 12.08263 191.0408       54.65670 196.2847       58.93727 158.8241       146.0847 80.59595 12.90403 76.46863 26.59872 4.127319       29.56359 
1 1 1 -1  10 27 o 186.9000 6.945339 1027.641       75.99715 996.6067       85.08991 1150.014       168.9651 183.9636 7.905153 196.6724 14.75644 -12.70876      16.74049 
1 1 1 -1  10 28 o 388.1032 6.802007 4425.632       154.8228 4455.832       184.3576 4353.373       285.1762 389.2675 8.075371 383.7765 12.68767 5.490997       15.03957 
1 1 1 -1  10 29 o 409.1931 8.810474 4927.942       211.4356 5135.846       297.1633 4714.775       300.9018 416.8722 12.16765 399.2178 12.86863 17.65442       17.71026 
1 1 1 -1  10 30 o 375.0955 6.211758 4133.694       136.6491 4123.806       155.1499 4167.897       288.5503 374.5413 7.063196 375.1731 13.13438 -0.6318054     14.91311 
1 1 1 -1  10 31 o 300.5508 6.032575 2653.684       106.3338 2607.389       118.2141 2849.903       243.3723 297.8474 6.767450 310.0689 13.41502 -12.22144      15.02535 
1 1 1 -1  10 32 o 500.7922 7.418769 7374.268       217.8913 7472.873       254.9156 7106.839       419.8084 503.8880 8.626046 489.4925 14.64006 14.39551       16.99235 
1 1 1 -1  10 33 o 310.7523 6.787015 2838.276       123.6926 2755.261       136.1806 3229.649       295.6864 306.0858 7.586153 329.5798 15.33957 -23.49399      17.11292 
1 1 1 -1  10 34 o 130.7677 12.82024 510.6057       97.05906 560.6915       107.3338 285.9340       227.3283 136.9534 13.54030 98.24738 33.21200 38.70600       35.86609 
1 1 1 -1  10 35 o 273.3665 6.798713 2197.498       108.9990 2145.881       119.3171 2457.815       267.9520 269.9454 7.544013 286.8679 15.98993 -16.92245      17.68021 
1 1 1 -1  10 36 o 198.6729 7.926473 1164.359       92.17146 1198.275       99.55207 960.7368       243.9288 201.4701 8.444097 175.9624 24.28375 25.50766       25.70998 
1 1 1 -1  10 37 o 290.9356 6.756861 2490.959       115.2902 2456.047       125.3360 2682.930       293.9032 288.6917 7.408836 298.7302 16.84370 -10.03848      18.40112 
1 1 1 -1  10 38 o 285.4492 6.908002 2399.121       115.6463 2416.291       126.6814 2313.248       283.3065 286.2570 7.552410 276.7258 17.54684 9.531281       19.10316 
1 1 1 -1  10 39 o 197.7696 8.882050 1158.089       102.7575 1141.767       110.2949 1265.410       282.8234 196.2061 9.614282 200.6689 24.54186 -4.462799      26.35787 
1 1 1 -1  10 40 o 198.2312 8.382851 1163.779       97.23728 1231.059       105.0822 762.9822       256.4768 203.7858 8.813182 151.5784 29.91356 52.20743       31.18482 
1 1 1 -1  10 41 o 142.2645 11.11968 607.6332       92.04018 581.5010       126.0794 637.4496       134.6742 137.4905 15.93028 143.8981 16.24147 -6.407608      22.74993 
1 1 1 -1  10 42 o 146.9253 10.61356 648.5065       90.83872 618.3840       128.9669 678.1650       127.9696 141.4216 15.82009 148.5945 14.88446 -7.172867      21.72148 
1 1 1 -1  10 43 o 231.2651 8.301445 1591.338       112.4111 1602.675       159.3468 1580.107       158.6024 230.3844 11.83307 228.7358 11.86347 1.648651       16.75599 
1 1 1 -1  10 44 o 161.8631 10.17476 788.3727       96.09918 959.0044       135.3860 615.1003       136.4295 177.1348 13.12550 139.6943 17.00226 37.44055       21.47919 
1 1 1 -1  10 45 o 154.5968 10.86172 724.4196       97.85363 730.2296       138.3374 718.6014       138.4346 152.5955 15.68068 151.2677 15.83897 1.327759       22.28804 
1 1 1 -1  10 46 o 113.3024 14.85935 404.0414       96.36176 290.7589       139.1740 508.3568       133.5520 90.45795 25.26667 124.9049 18.81491 -34.44696      31.50247 
1 1 1 -1  10 47 f 137.1816 13.72849 587.0225       108.9685 371.7149       155.3728 795.4423       152.8673 101.1546 26.03723 157.6510 16.79171 -56.49641      30.98223 
1 1 1 -1  10 48 o 172.1972 11.44385 909.0984       114.9152 951.7949       165.2545 869.1207       159.9066 172.2276 16.56468 164.3003 16.83271 7.927292       23.61628 
1 1 1 -1  10 49 o 123.0293 15.93517 487.4145       112.2799 530.2063       165.8052 451.1712       152.5920 121.9509 24.03761 112.3689 23.89079 9.581985       33.89065 
1 1 1 -1  10 50 o 166.5181 12.11233 859.0557       117.4789 863.1954       165.2800 854.8287       167.0141 162.2134 17.65801 161.1119 17.98185 1.101517       25.20223 
1 1 1 -1  11 1  o 199.4749 6.060831 1168.850       70.82180 1055.484       93.20414 1323.731       108.9415 189.3831 8.412569 212.1001 8.776900 -22.71698      12.15752 
1 1 1 -1  11 2  o 467.2637 8.658945 6413.452       237.2890 6252.022       324.0403 6600.110       348.4413 460.8265 11.99999 473.4007 12.56129 -12.57419      17.37198 
1 1 1 -1  11 3  o 450.2864 8.415147 5955.266       222.2292 5895.345       308.9198 6019.534       319.9283 447.5147 11.78055 452.1631 12.07525 -4.648346      16.86988 
1 1 1 -1  11 4  o 154.3863 5.701333 700.3994       51.53343 705.1563       64.08762 691.6962       86.68629 154.8234 7.076802 153.1173 9.703205 1.706070       12.00972 
1 1 1 -1  11 5  o 265.9266 6.329952 2075.521       98.72174 2022.868       133.6926 2138.657       146.3982 262.2854 8.703309 269.6466 9.271215 -7.361206      12.71625 
1 1 1 -1  11 6  o 382.7419 6.791544 4299.829       152.4492 4295.580       237.8254 4302.793       198.6230 382.1401 10.62201 382.7452 8.848494 -0.6051025     13.82472 
1 1 1 -1  11 7  o 374.8081 6.806417 4123.112       149.6160 4191.747       236.3446 4077.213       193.2729 377.5187 10.68548 372.6019 8.844543 4.916809       13.87103 
1 1 1 -1  11 8  o 473.8519 7.897099 6591.253       219.4627 6717.588       354.0274 6512.406       279.6850 477.8085 12.64487 470.8477 10.12834 6.960754       16.20111 
1 1 1 -1  11 9  o 787.8655 10.90564 18234.32       503.9108 17990.94       703.5569 18490.69       722.0789 781.9162 15.34223 792.6675 15.53256 -10.75134      21.83219 
1 1 1 -1  11 10 o 360.3684 6.608454 3810.270       139.6681 3657.315       209.3428 3932.969       187.4986 352.7841 10.12858 366.0488 8.733905 -13.26465      13.37420 
1 1 1 -1  11 11 o 381.6762 6.229996 4273.653       139.4548 4009.173       183.6736 4633.632       214.2836 369.6092 8.473316 397.3243 9.195880 -27.71515      12.50445 
1 1 1 -1  11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11 13 o 361.4753 6.058308 3832.966       128.4341 3953.170       185.4530 3722.178       178.0403 367.0317 8.615487 356.1499 8.523833 10.88184       12.11950 
1 1 1 -1  11 14 f 355.1457 7.736532 3700.776       161.1400 3718.881       222.8877 3680.951       233.2372 355.7565 10.69489 353.8973 11.25181 1.859222       15.52365 
1 1 1 -1  11 15 o 449.0633 9.000255 5918.344       237.0352 5651.666       315.4131 6264.385       359.2940 438.5002 12.27685 461.5868 13.28612 -23.08652      18.08983 
1 1 1 -1  11 16 f 675.9274 12.13610 13418.86       481.0938 13042.54       651.3043 13870.75       713.7087 665.7000 16.69543 686.3635 17.74519 -20.66351      24.36451 
1 1 1 -1  11 17 o 455.5527 9.626385 6092.008       257.1890 5912.265       341.4992 6327.555       390.9322 448.3982 12.99972 463.7498 14.39107 -15.35168      19.39319 
1 1 1 -1  11 18 o 649.0850 9.487305 12368.25       361.1561 12614.94       520.4714 12139.16       501.5572 655.1470 13.54589 642.6991 13.30645 12.44788       18.98823 
1 1 1 -1  11 19 o 471.3278 7.532601 6519.272       208.2181 6525.471       292.6637 6512.918       296.2998 471.3760 10.58646 470.9128 10.72853 0.4631653      15.07231 
1 1 1 -1  11 20 o 422.8010 6.416634 5245.227       159.1086 5259.975       183.4483 5200.450       319.6568 423.3518 7.388594 420.3873 12.98089 2.964478       14.93636 
1 1 1 -1  11 21 o 430.7065 6.531180 5443.937       164.9771 5543.593       192.9830 5173.373       317.9800 434.5740 7.571900 419.2027 12.94930 15.37131       15.00060 
1 1 1 -1  11 22 o 366.4646 6.094869 3941.096       130.9926 3933.474       149.6327 3966.101       271.0104 366.0669 6.969724 366.9501 12.61172 -0.8832703     14.40946 
1 1 1 -1  11 23 o 626.8956 8.429568 11543.70       309.9211 11677.17       368.5655 11221.48       572.6401 630.2972 9.970540 616.5665 15.84935 13.73071       18.72468 
1 1 1 -1  11 24 o 415.6819 6.313749 5072.519       153.9214 5073.073       178.1464 5070.886       305.7249 415.6265 7.308416 414.7455 12.58349 0.8809814      14.55188 
1 1 1 -1  11 25 o 271.0016 5.608854 2155.776       89.14491 2183.959       101.0175 2056.577       189.5214 272.7303 6.315570 263.9063 12.27864 8.824097       13.80766 
1 1 1 -1  11 26 o 359.2812 6.523799 3791.090       137.4629 3724.772       159.4197 3983.331       271.4260 356.0227 7.635080 367.2844 12.61955 -11.26166      14.74950 
1 1 1 -1  11 27 o 446.5824 7.295900 5860.836       191.0870 5878.075       229.5058 5821.882       345.0019 447.0273 8.754054 443.8008 13.27000 3.226410       15.89737 
1 1 1 -1  11 28 o 435.1501 7.249791 5565.815       185.0185 5783.212       228.4916 5151.836       315.3059 443.3206 8.788236 417.3914 12.89613 25.92923       15.60587 
1 1 1 -1  11 29 o 126.5671 9.922985 474.8317       73.06841 550.9908       80.02219 92.87756       179.2071 136.3759 10.07629 72.04216 28.54283 64.33371       30.26920 
1 1 1 -1  11 30 o 218.4620 6.327890 1403.477       80.98929 1438.601       88.95576 1233.304       195.8007 221.1258 6.867695 203.0371 16.58772 18.08868       17.95321 
1 1 1 -1  11 31 f 197.8071 6.992101 1151.604       80.98720 1205.469       88.31897 866.9880       203.0157 202.3358 7.455452 168.9027 20.94313 33.43314       22.23058 
1 1 1 -1  11 32 o 286.8014 6.671667 2417.349       112.2189 2528.188       126.6922 2013.685       241.7768 293.1393 7.375141 259.9519 15.93540 33.18744       17.55932 
1 1 1 -1  11 33 o 126.8009 11.77640 478.8269       86.57521 453.4242       92.95843 644.9697       237.7331 123.1378 13.07147 142.8202 29.36393 -19.68234      32.14193 
1 1 1 -1  11 34 o 145.4579 9.868440 626.6684       83.68684 664.3752       89.96728 384.5323       227.9840 149.7232 10.30870 110.1341 32.83199 39.58913       34.41233 
1 1 1 -1  11 35 o 224.5880 7.453682 1485.911       98.04059 1443.183       105.4701 1757.543       265.9269 221.2330 8.142736 241.3998 18.93486 -20.16672      20.61148 
1 1 1 -1  11 36 o 304.4905 6.840371 2728.087       122.1529 2666.414       133.4853 3045.741       302.9451 300.8191 7.572217 318.8126 16.25601 -17.99350      17.93311 
1 1 1 -1  11 37 o 219.3835 7.557925 1419.525       97.09749 1409.763       103.9306 1486.527       272.2789 218.5291 8.123446 220.2023 21.35108 -1.673264      22.84423 
1 1 1 -1  11 38 o 317.7108 6.957112 2972.686       129.6318 3057.527       144.0710 2611.934       297.0826 322.0734 7.627305 294.0951 17.30061 27.97830       18.90733 
1 1 1 -1  11 39 o 109.4030 14.33805 364.0999       89.78431 362.7815       95.58051 373.9918       261.8091 108.9095 15.39278 106.7173 35.63832 2.192223       38.82045 
1 1 1 -1  11 40 o 35.61217 16.59818 -73.31142      84.76859 -75.73817      90.08389 -54.54869      250.4853 36.84949 17.15331 67.69764 30.38125 -30.84815      34.88920 
1 1 1 -1  11 41 o 171.6302 10.17772 880.6108       101.9859 895.7084       111.2621 801.2269       255.1294 172.8126 11.03561 153.5783 29.39605 19.23431       31.39925 
1 1 1 -1  11 42 o 177.7092 9.705303 944.4029       100.7669 1067.404       142.6941 822.0484       142.3185 187.5229 13.05637 163.5502 15.00452 23.97270       19.88980 
1 1 1 -1  11 43 o 50.23513 19.39682 58.27292       81.01373 93.12969       118.8095 27.98183       110.7555 60.83837 23.49001 51.34286 21.61323 9.495510       31.92041 
1 1 1 -1  11 44 o 122.2437 12.94654 459.1270       91.40862 354.4945       126.2223 574.5177       132.5525 103.1860 21.55385 134.7212 17.16584 -31.53525      27.55421 
1 1 1 -1  11 45 o 231.6521 8.586099 1604.866       116.4476 1576.302       161.2435 1636.004       168.3497 227.3860 12.13511 231.4328 12.44911 -4.046875      17.38509 
1 1 1 -1  11 46 o 40.17923 18.41080 -48.71810      97.99703 -150.7083      139.7076 50.06899       137.4963 41.92641 20.05742 56.91760 24.02728 -14.99119      31.29873 
1 1 1 -1  11 47 o 238.4343 9.336003 1713.012       130.2987 1653.855       181.8956 1775.363       186.7402 230.9447 13.48833 239.4310 13.35151 -8.486267      18.97888 
1 1 1 -1  11 48 o 213.2059 10.02814 1378.706       125.0407 1477.503       184.0363 1293.991       170.4165 216.8243 14.55690 203.0013 14.40767 13.82300       20.48132 
1 1 1 -1  11 49 o 150.3897 13.35705 708.2016       116.5850 686.6891       169.0169 727.7279       161.0254 141.8938 20.93867 147.8862 19.00470 -5.992371      28.27732 
1 1 1 -1  11 50 o 39.23882 18.57389 -97.70550      113.5488 87.28674       169.6626 -247.7908      152.8194 62.54005 26.55829 39.07463 19.20315 23.46541       32.77352 
1 1 1 -1  12 1  o 174.3114 6.204399 892.8627       63.32613 921.0267       85.98566 859.4803       93.61307 176.8980 8.311291 170.7818 9.382446 6.116211       12.53427 
1 1 1 -1  12 2  o 265.0520 6.245164 2061.798       97.07903 2044.222       132.6729 2082.052       142.4265 263.6823 8.590739 266.0676 9.140998 -2.385254      12.54427 
1 1 1 -1  12 3  f 187.4986 5.172621 1032.256       56.82561 1044.266       69.74104 1008.532       98.02085 188.5266 6.316536 185.0754 9.058171 3.451187       11.04306 
1 1 1 -1  12 4  o 590.2969 8.608220 10232.92       298.0124 10569.38       380.1926 9696.780       479.9258 599.6690 10.81039 573.8909 14.25917 25.77808       17.89381 
1 1 1 -1  12 5  o 590.3210 8.631306 10233.02       298.8239 10239.02       366.8857 10221.20       515.0532 590.2849 10.59787 588.9760 14.92292 1.308838       18.30324 
1 1 1 -1  12 6  f 611.0738 10.82777 10971.77       388.0461 11032.45       551.3657 10912.22       546.2304 611.9493 15.37510 608.6147 15.31539 3.334595       21.70149 
1 1 1 -1  12 7  o 282.3729 6.110198 2339.457       101.1880 2451.124       157.0766 2260.245       132.2958 288.7767 9.286752 277.3708 8.141514 11.40591       12.35022 
1 1 1 -1  12 8  o 1015.651 15.31338 30345.11       912.1501 31074.79       1500.619 29917.51       1148.728 1025.102 24.96047 1007.494 19.44125 17.60791       31.63839 
1 1 1 -1  12 9  o 710.5403 10.90865 14825.81       454.5799 14654.43       714.2723 14942.48       589.3381 705.6648 17.25897 712.9900 14.09388 -7.325195      22.28249 
1 1 1 -1  12 10 o 571.5239 8.288784 9585.412       277.8278 9607.526       395.6059 9563.892       390.2642 571.9659 11.79348 570.6752 11.66055 1.290710       16.58478 
1 1 1 -1  12 11 o 662.4249 13.67053 12891.74       531.0953 0.000000       0.000000 12891.74       531.0953 ?        ?        662.4249 13.67053 0.000000       13.67053 
1 1 1 -1  12 12 o 736.3804 12.84309 15926.88       554.6542 14956.64       714.7075 17396.04       879.4791 713.1529 17.08816 768.5317 19.52833 -55.37885      25.94920 
1 1 1 -1  12 13 o 414.9859 6.739786 5052.244       164.0325 5100.880       233.6802 5005.000       230.3106 416.8830 9.557785 412.9483 9.509720 3.934723       13.48281 
1 1 1 -1  12 14 o 670.7183 9.462442 13203.93       372.2150 13362.44       530.2750 13049.99       522.5921 674.4174 13.40670 666.4894 13.36962 7.928040       18.93374 
1 1 1 -1  12 15 o 392.0653 8.971692 4511.445       206.2924 4445.236       279.7178 4590.403       305.4622 388.8369 12.28138 395.0617 13.20239 -6.224762      18.03151 
1 1 1 -1  12 16 o 1185.419 16.09836 41327.99       1119.190 41116.15       1572.255 41545.59       1593.507 1180.659 22.70638 1186.751 22.89518 -6.091797      32.24545 
1 1 1 -1  12 17 o 211.7690 7.329292 1317.495       90.89079 1374.493       137.4335 1273.186       121.1743 216.0728 10.88033 208.0067 9.962009 8.066101       14.75206 
1 1 1 -1  12 18 o 695.1738 9.994275 14189.95       407.4696 13729.73       556.4755 14721.93       598.2923 683.3884 13.88443 707.5804 14.41740 -24.19202      20.01596 
1 1 1 -1  12 19 o 484.9219 7.537637 6901.200       214.3668 6912.402       302.7179 6889.932       303.6049 485.1156 10.64002 484.3228 10.68866 0.7927856      15.08169 
1 1 1 -1  12 20 o 448.6792 7.231006 5908.501       190.2765 5992.954       269.4106 5824.447       268.7737 451.6787 10.17032 445.2740 10.29222 6.404755       14.46945 
1 1 1 -1  12 21 o 286.8826 5.733112 2414.956       96.45953 2290.249       104.4368 3138.987       251.6441 279.3559 6.374484 326.3593 13.17449 -47.00348      14.63561 
1 1 1 -1  12 22 o 127.3346 7.547051 477.7362       56.10764 427.0402       59.50613 883.9191       168.4363 120.2812 8.490099 172.2550 16.88986 -51.97379      18.90368 
1 1 1 -1  12 23 o 183.2822 6.394282 987.3048       68.62730 946.6502       74.09603 1232.618       182.0124 179.4189 7.055432 203.8328 15.33818 -24.41388      16.88310 
1 1 1 -1  12 24 o 344.7115 5.846545 3488.034       118.1968 3459.711       134.1373 3586.406       249.9857 343.2561 6.663170 348.7178 12.24235 -5.461731      13.93818 
1 1 1 -1  12 25 o 422.7212 6.388390 5247.384       158.3784 5189.802       181.1810 5433.927       326.1060 420.2992 7.350272 429.0301 12.97537 -8.730896      14.91264 
1 1 1 -1  12 26 o 232.7692 8.469989 1595.301       115.4341 1503.864       145.5053 1750.575       189.6129 225.6664 11.02754 243.1380 13.34854 -17.47163      17.31445 
1 1 1 -1  12 27 o 376.4548 6.769846 4163.863       149.4659 4230.400       178.5087 4007.812       273.3769 379.3004 8.024642 368.2179 12.67812 11.08252       15.00432 
1 1 1 -1  12 28 o 284.3229 6.413431 2375.114       106.9431 2314.926       120.9121 2591.383       229.1978 280.5161 7.355909 295.7646 13.24699 -15.24850      15.15230 
1 1 1 -1  12 29 o 119.6421 10.06642 424.7971       69.97884 457.4867       76.03028 243.6198       178.9922 124.1225 10.54415 90.34313 29.43671 33.77935       31.26818 
1 1 1 -1  12 30 o 127.6474 10.32094 483.4427       76.60649 472.0758       82.96234 549.2166       199.5656 125.9724 11.35098 132.3424 26.63508 -6.369965      28.95294 
1 1 1 -1  12 31 o 302.2820 6.349815 2684.822       112.5703 2676.144       125.4284 2720.756       255.2373 301.7188 7.088316 302.7094 14.41843 -0.9905396     16.06659 
1 1 1 -1  12 32 o 383.1385 6.833515 4314.631       153.5502 4367.914       175.5268 4140.918       316.9315 385.3663 7.766388 373.5573 14.49381 11.80896       16.44345 
1 1 1 -1  12 33 o 325.5893 6.696242 3115.976       127.8650 3120.908       142.3183 3095.329       291.2057 325.7549 7.449366 322.5034 15.44111 3.251434       17.14412 
1 1 1 -1  12 34 o 231.2136 7.128879 1573.851       96.55305 1512.009       104.1286 1953.067       257.8540 226.5255 7.849816 255.2566 17.32720 -28.73114      19.02239 
1 1 1 -1  12 35 o 454.1175 9.954988 6087.636       265.1304 6227.554       360.2964 5922.388       391.5527 457.8725 13.43181 445.7975 14.99757 12.07501       20.13307 
1 1 1 -1  12 36 o 258.7759 7.138092 1972.795       108.2285 1987.524       117.7062 1892.227       275.2935 259.6358 7.738725 249.9735 18.91854 9.662262       20.44014 
1 1 1 -1  12 37 o 238.2511 7.384884 1673.706       103.0634 1657.873       111.3581 1768.263       272.1390 237.0032 8.023128 241.0844 19.41132 -4.081192      21.00405 
1 1 1 -1  12 38 o 267.0920 7.329074 2103.992       114.6964 2144.367       124.7343 1882.995       291.8259 269.5196 7.899762 247.9592 20.24351 21.56038       21.73030 
1 1 1 -1  12 39 f 141.4716 11.42618 598.9844       93.99673 571.4581       100.4737 792.0701       266.1050 137.8696 12.56394 154.6451 30.42468 -16.77542      32.91677 
1 1 1 -1  12 40 o 183.1776 10.14254 1000.667       108.5352 998.1484       118.3642 1013.969       272.0320 182.6449 11.10244 175.8040 27.26659 6.840912       29.44029 
1 1 1 -1  12 41 o 52.12300 19.83753 64.72622       83.91573 90.49872       88.89275 -146.2872      254.3566 57.24494 20.66611 61.97668 28.84100 -4.731747      35.48086 
1 1 1 -1  12 42 o 218.9446 7.798343 1423.450       99.97535 1412.151       106.3575 1509.211       293.0173 217.8782 8.338853 215.0074 23.62633 2.870804       25.05474 
1 1 1 -1  12 43 o 39.17844 17.56468 -27.50692      83.49250 -40.80244      117.1240 -13.77007      119.0521 45.59652 20.59121 48.43844 21.38699 -2.841927      29.68840 
1 1 1 -1  12 44 o 37.84169 17.30026 -45.09932      85.88000 -133.1163      124.2572 35.39669       118.8298 40.15839 19.12968 53.12368 22.37643 -12.96529      29.43890 
1 1 1 -1  12 45 o 159.6757 11.61718 777.1848       108.0462 649.7105       151.7781 908.1522       153.8435 141.7240 18.71776 170.1718 15.58789 -28.44772      24.35851 
1 1 1 -1  12 46 o 41.43834 18.81589 -37.51835      99.41177 -90.59328      138.4225 19.01527       142.8615 45.22192 21.12114 54.52382 23.76822 -9.301895      31.79671 
1 1 1 -1  12 47 o 75.46915 22.33525 198.4842       105.8151 253.7835       152.4209 147.0374       147.0157 82.95148 27.17267 68.29906 26.19231 14.65241       37.74110 
1 1 1 -1  12 48 f 85.74477 22.06403 258.3551       111.5951 356.1700       166.1012 177.8766       150.6642 96.61432 27.81406 71.92695 26.74976 24.68737       38.58978 
1 1 1 -1  12 49 o 48.74825 21.22567 15.74996       113.6494 -162.9595      172.0634 154.0540       151.3673 46.06038 22.09464 68.39849 26.48559 -22.33811      34.49144 
1 1 1 -1  12 50 o 66.14345 24.15389 148.6339       121.9003 -1.971367      185.0499 264.0886       162.0222 56.97861 25.79220 82.44287 28.03693 -25.46426      38.09603 
1 1 1 -1  13 1  f 556.1924 10.00402 9087.433       326.3247 8868.717       445.4153 9340.849       479.4475 548.8400 13.84892 563.1555 14.52864 -14.31555      20.07172 
1 1 1 -1  13 2  o 170.2742 6.414856 852.0043       63.94537 868.0056       84.24986 830.2598       98.21215 171.7400 8.390028 167.8229 10.02414 3.917099       13.07195 
1 1 1 -1  13 3  o 526.2462 9.564382 8133.097       295.1864 8472.055       436.3948 7847.196       400.7876 536.4736 13.88180 516.3873 13.24484 20.08630       19.18672 
1 1 1 -1  13 4  o 606.1771 8.804327 10788.12       313.0014 10883.67       387.4907 10608.70       530.9565 608.6643 10.85508 600.2235 15.09524 8.440796       18.59299 
1 1 1 -1  13 5  o 481.8288 7.367869 6813.160       208.2021 6900.407       259.3224 6654.917       349.2419 484.8022 9.120633 475.6819 12.52961 9.120361       15.49765 
1 1 1 -1  13 6  o 501.8517 9.237736 7393.745       271.8889 7450.534       385.2480 7337.390       383.7740 503.3217 13.06205 499.4770 13.11250 3.844666       18.50824 
1 1 1 -1  13 7  o 241.6336 6.033259 1712.880       85.49877 1690.535       124.3020 1732.945       117.7879 239.8284 8.852642 242.8565 8.282018 -3.028122      12.12275 
1 1 1 -1  13 8  o 545.6425 8.818042 8738.009       282.1830 8709.833       443.5393 8757.169       365.7504 544.2358 13.90754 546.0806 11.42030 -1.844727      17.99564 
1 1 1 -1  13 9  o 838.2146 12.67003 20637.36       622.8497 20177.54       964.9874 20965.72       815.4578 827.8184 19.87632 844.3727 16.46709 -16.55438      25.81149 
1 1 1 -1  13 10 o 531.1176 8.706269 8278.058       271.1898 8496.022       441.1271 8145.633       343.8397 537.5627 14.00406 526.7267 11.13064 10.83594       17.88868 
1 1 1 -1  13 11 o 531.1580 7.877427 8278.146       245.3910 8164.930       342.6570 8397.339       351.5858 527.3560 11.07912 534.8010 11.20956 -7.445068      15.76075 
1 1 1 -1  13 12 o 590.3791 14.63448 10242.74       506.7093 9685.589       697.1611 10866.66       737.7506 573.1019 20.77639 607.0862 20.75141 -33.98425      29.36459 
1 1 1 -1  13 13 o 374.3040 8.362034 4111.360       183.5637 4030.507       248.5945 4208.303       272.2059 370.3104 11.46036 378.3334 12.28425 -8.023041      16.80007 
1 1 1 -1  13 14 o 575.0392 10.76215 9708.706       362.9502 9231.227       477.0093 10365.25       559.3448 560.2441 14.53000 593.4886 16.08486 -33.24445      21.67588 
1 1 1 -1  13 15 o 453.4738 9.797069 6036.693       260.5547 5591.997       334.8797 6718.863       414.7660 436.0677 13.10925 477.8467 14.81799 -41.77896      19.78447 
1 1 1 -1  13 16 o 521.0811 10.35265 7972.536       316.3787 7939.773       434.5915 8009.478       461.4714 519.5100 14.27739 521.6882 15.09873 -2.178162      20.78017 
1 1 1 -1  13 17 o 664.2498 9.599297 12954.12       373.9568 12885.53       523.1274 13025.80       534.7744 662.1016 13.47201 665.6689 13.69815 -3.567322      19.21287 
1 1 1 -1  13 18 o 200.4653 7.204351 1180.810       84.56252 1036.024       122.7131 1311.738       116.6928 187.4626 11.21283 211.1565 9.446918 -23.69397      14.66192 
1 1 1 -1  13 19 o 155.8063 7.852380 714.3763       71.52114 865.0315       116.7879 623.9694       90.47048 171.1644 11.70457 145.3455 10.68815 25.81885       15.85035 
1 1 1 -1  13 20 o 111.1382 12.30011 367.6403       78.83178 251.6309       161.3786 403.9986       90.34440 91.61629 27.69428 116.4062 13.48251 -24.78986      30.80181 
1 1 1 -1  13 21 o 395.8777 6.256459 4599.513       145.2580 4565.091       165.5006 4714.974       303.1062 394.3419 7.156097 400.0527 12.93595 -5.710785      14.78339 
1 1 1 -1  13 22 o 247.6710 5.681574 1800.196       82.52668 1811.316       91.41056 1751.186       191.9080 248.3334 6.281443 243.4547 13.49356 4.878738       14.88398 
1 1 1 -1  13 23 o 225.3985 5.695665 1492.122       75.23120 1506.297       83.44083 1430.534       173.9260 226.4285 6.289526 219.8800 13.55327 6.548523       14.94153 
1 1 1 -1  13 24 o 312.1165 5.753749 2859.755       105.3218 2971.641       122.2296 2537.168       207.5445 318.1121 6.551574 293.1934 12.09595 24.91867       13.75628 
1 1 1 -1  13 25 o 234.7296 5.764669 1617.676       79.35840 1657.750       87.91077 1441.256       184.4521 237.5064 6.316872 220.4017 14.34780 17.10469       15.67681 
1 1 1 -1  13 26 o 280.1651 6.216633 2305.344       102.1456 2257.588       116.0922 2469.052       214.9434 277.0858 7.149922 288.9421 12.71533 -11.85632      14.58770 
1 1 1 -1  13 27 o 200.4138 6.675071 1181.500       78.34795 1164.473       86.19266 1262.472       187.9633 198.8913 7.402228 205.7644 15.69429 -6.873123      17.35234 
1 1 1 -1  13 28 o 159.6069 7.291765 750.4791       68.07475 754.8178       73.31474 723.3411       183.3596 160.0114 7.836330 154.1491 20.81335 5.862259       22.23969 
1 1 1 -1  13 29 o 423.8354 6.563006 5279.022       163.1363 5239.635       184.2729 5421.772       350.8112 422.1210 7.443448 427.6683 14.00561 -5.547333      15.86070 
1 1 1 -1  13 30 o 138.9769 8.960785 570.9889       72.64712 577.7044       78.03785 527.3578       198.9138 139.7148 9.581856 129.5211 27.05997 10.19373       28.70634 
1 1 1 -1  13 31 o 159.5826 9.170600 752.3342       85.46748 773.5157       92.69229 632.1292       220.8139 161.7345 9.818408 141.9918 27.51001 19.74271       29.20962 
1 1 1 -1  13 32 o 162.1016 9.609251 776.8529       90.94405 831.9058       97.80231 425.1015       247.2163 167.7130 9.988578 115.7333 34.11034 51.97971       35.54274 
1 1 1 -1  13 33 o 131.1207 11.05716 511.1073       84.23698 480.2097       90.01144 729.0035       239.0343 126.8656 12.24989 152.3406 27.77746 -25.47501      30.35865 
1 1 1 -1  13 34 f 229.9059 7.455494 1556.935       100.3927 1569.786       108.3824 1479.284       266.4151 230.7727 8.020181 220.7472 20.82456 10.02556       22.31559 
1 1 1 -1  13 35 o 185.4286 8.648413 1015.857       93.79197 1003.640       101.1806 1090.459       250.0306 184.1832 9.397986 187.9942 23.16716 -3.810913      25.00079 
1 1 1 -1  13 36 o 447.8696 7.239087 5906.568       190.1454 5932.028       216.2095 5819.657       399.4721 448.5642 8.218636 441.0465 15.46765 7.517700       17.51554 
1 1 1 -1  13 37 o 188.4899 8.851949 1051.179       97.58041 1068.057       104.7203 939.9181       268.8745 189.8865 9.432956 171.6951 27.63995 18.19144       29.20526 
1 1 1 -1  13 38 o 375.8159 7.180074 4162.911       158.2540 4138.682       175.5004 4268.333       366.0752 374.4923 7.990695 376.0287 16.64086 -1.536346      18.45994 
1 1 1 -1  13 39 o 135.4644 11.65849 550.6115       91.72269 603.9791       98.09023 179.1329       258.7939 141.8561 11.89995 86.24942 34.25888 55.60664       36.26678 
1 1 1 -1  13 40 o 147.0347 10.89094 648.3193       93.24846 696.2401       99.49706 302.3476       267.3428 152.2983 11.21820 96.70267 35.69359 55.59561       37.41498 
1 1 1 -1  13 41 o 142.8863 10.86875 614.2623       90.39621 609.5103       96.08599 650.8596       266.6515 142.0690 11.63396 133.8204 33.93301 8.248581       35.87197 
1 1 1 -1  13 42 o 139.1507 11.58872 586.3267       93.71621 567.9538       99.35599 734.5191       282.1745 136.5709 12.54470 140.5238 34.49760 -3.952972      36.70768 
1 1 1 -1  13 43 o 163.9292 9.935836 807.5657       95.07519 812.3868       100.8840 769.2808       284.2915 164.1749 10.53324 142.5996 34.39435 21.57533       35.97111 
1 1 1 -1  13 44 o 131.0673 13.34795 530.3956       101.1726 591.8192       153.1142 482.7939       134.7903 134.5814 20.00669 121.6245 19.55985 12.95691       27.97956 
1 1 1 -1  13 45 o 43.91137 19.23372 -3.586415      94.53004 -2.817096      138.8685 -4.250721      129.0430 52.19680 23.07009 50.42924 22.26614 1.767559       32.06260 
1 1 1 -1  13 46 o 86.68714 20.18481 254.4252       100.6964 169.3336       140.6761 343.8354       144.2019 71.26687 25.95931 97.96531 25.01452 -26.69844      36.05013 
1 1 1 -1  13 47 o 66.52074 22.77006 149.0125       106.8976 146.2675       154.0423 151.5623       148.4641 68.41264 26.65502 68.73283 26.33049 -0.3201904     37.46712 
1 1 1 -1  13 48 o 225.5365 10.62251 1550.621       140.1111 1555.707       207.2767 1546.343       190.1263 220.5327 16.13779 221.4011 14.72609 -0.8684082     21.84688 
1 1 1 -1  13 49 o 60.14482 23.68089 104.0023       122.6585 176.8754       185.9263 47.84500       163.2150 72.36772 28.94085 58.44614 25.44256 13.92159       38.53435 
1 1 1 -1  13 50 o 100.1425 21.53585 353.1010       122.7227 211.0661       177.5477 483.0441       169.8221 75.28460 28.80576 113.3288 26.09093 -38.04420      38.86526 
1 1 1 -1  14 1  o 1171.907 19.83371 40486.21       1363.162 38767.64       1805.660 42763.70       2078.639 1144.226 26.90751 1200.569 29.52171 -56.34229      39.94428 
1 1 1 -1  14 2  o 528.6179 9.634962 8204.203       298.7049 7899.210       399.8463 8589.369       449.3367 518.2581 13.16583 540.3126 14.19229 -22.05450      19.35873 
1 1 1 -1  14 3  o 971.2354 16.53331 27757.41       941.7485 27552.40       1317.074 27971.87       1347.101 966.0062 23.24768 973.2299 23.60121 -7.223694      33.12811 
1 1 1 -1  14 4  o 1048.958 14.52280 32348.05       893.4269 32661.07       1109.081 31769.48       1507.844 1053.310 17.95380 1037.001 24.79288 16.30908       30.61088 
1 1 1 -1  14 5  o 663.2639 9.539322 12913.63       371.0688 12826.92       450.3091 13097.08       654.9686 660.8660 11.61841 667.0219 16.75613 -6.155884      20.39009 
1 1 1 -1  14 6  o 585.8104 8.630162 10071.29       296.5013 10116.24       365.5290 9984.821       506.9878 586.9945 10.61787 582.6417 14.84908 4.352783       18.25470 
1 1 1 -1  14 7  o 275.2516 6.378373 2222.610       102.9651 2283.119       155.6466 2175.523       137.3020 278.7382 9.535262 272.1372 8.613621 6.600983       12.84974 
1 1 1 -1  14 8  o 531.4616 8.763335 8288.879       273.1441 8187.669       422.0002 8361.853       358.3306 527.7449 13.64591 533.6520 11.44920 -5.907104      17.81278 
1 1 1 -1  14 9  o 601.0959 9.692745 10605.00       341.6969 10517.81       530.7029 10666.74       446.5776 598.0305 15.14353 602.6478 12.63522 -4.617310      19.72246 
1 1 1 -1  14 10 o 570.8429 9.176301 9563.516       307.2096 9241.676       466.3358 9810.279       408.3380 560.6501 14.19403 577.9856 12.04626 -17.33545      18.61674 
1 1 1 -1  14 11 o 924.8571 17.69791 25162.53       959.9468 0.000000       0.000000 25162.53       959.9468 ?        ?        924.8571 17.69791 0.000000       17.69791 
1 1 1 -1  14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 14 o 718.9463 12.90333 15185.98       544.0623 14529.97       718.0738 16070.12       833.6344 702.6945 17.42417 738.4659 19.26485 -35.77148      25.97569 
1 1 1 -1  14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  14 16 o 268.8255 9.415501 2124.205       148.2154 1995.946       183.4477 2365.327       251.5282 260.3694 12.04621 283.1783 15.20095 -22.80890      19.39536 
1 1 1 -1  14 17 o 168.3213 7.733714 833.2589       76.14049 844.2027       116.5912 825.1210       100.5406 169.0946 11.83136 167.3038 10.29661 1.790726       15.68443 
1 1 1 -1  14 18 o 436.9081 7.319879 5602.424       187.5619 5550.072       262.4972 5657.033       268.0964 434.6782 10.29690 438.8380 10.41685 -4.159760      14.64707 
1 1 1 -1  14 19 o 280.1812 6.689455 2303.882       109.9209 2304.754       162.7304 2303.151       149.0697 279.9192 9.928273 279.8911 9.093403 0.2804565E-01  13.46331 
1 1 1 -1  14 20 o 476.3010 7.508440 6660.411       209.7402 6659.636       294.3414 6661.209       298.9472 475.9979 10.54377 476.0366 10.70788 -0.3872681E-01 15.02763 
1 1 1 -1  14 21 o 285.9611 6.214497 2400.147       104.2230 2309.094       142.6723 2504.336       152.6168 280.2260 8.691728 291.8220 8.927809 -11.59598      12.46001 
1 1 1 -1  14 22 o 194.5735 5.878044 1112.242       66.99908 1105.499       72.61065 1150.880       173.8078 193.9492 6.392278 196.9098 15.16732 -2.960632      16.45931 
1 1 1 -1  14 23 o 489.3861 9.595353 7043.585       275.3995 7068.000       385.1611 7018.045       393.9344 489.3674 13.43284 487.5490 13.79087 1.818451       19.25173 
1 1 1 -1  14 24 o 379.1441 6.120003 4220.970       136.0838 4293.743       158.5254 4017.133       265.3112 382.3127 7.070165 368.9272 12.27920 13.38556       14.16919 
1 1 1 -1  14 25 o 215.5344 5.905107 1365.142       74.57367 1449.545       83.24065 1021.968       167.8471 222.0621 6.398285 185.1570 15.60196 36.90506       16.86295 
1 1 1 -1  14 26 o 102.1372 10.26957 310.3732       60.68177 300.9790       65.49512 367.3307       161.2701 100.4056 11.31951 108.2670 25.77175 -7.861404      28.14808 
1 1 1 -1  14 27 o 140.4168 8.528935 582.2911       69.90552 626.9895       75.57168 317.3005       184.0046 145.6830 8.887326 100.8261 29.34905 44.85690       30.66515 
1 1 1 -1  14 28 o 378.9425 6.850819 4220.708       152.2532 4204.645       177.0756 4266.260       298.1865 378.0619 7.986295 379.4930 13.41892 -1.431183      15.61564 
1 1 1 -1  14 29 o 256.4261 6.928806 1934.237       104.1053 1931.504       116.9133 1944.700       228.7610 256.1385 7.791910 255.5690 15.33292 0.5694733      17.19919 
1 1 1 -1  14 30 o 159.1966 8.540901 747.9902       79.45023 772.1860       85.73868 600.9607       211.3535 161.6916 9.077922 138.5043 26.98973 23.18723       28.47550 
1 1 1 -1  14 31 o 363.8786 6.814958 3891.720       145.4354 3837.670       160.7876 4134.899       341.0505 361.2424 7.589330 372.9236 15.62831 -11.68121      17.37360 
1 1 1 -1  14 32 o 151.4955 9.792907 679.2092       86.54240 673.8132       93.44730 711.7273       229.3998 150.7662 10.63675 150.8973 26.90858 -0.1310577     28.93461 
1 1 1 -1  14 33 o 339.8300 6.671174 3395.350       132.9580 3446.594       149.5779 3202.430       290.2223 342.2737 7.451494 327.9227 15.13147 14.35101       16.86671 
1 1 1 -1  14 34 o 114.9153 12.58710 395.8303       83.44458 361.6800       89.41444 626.2582       232.2618 109.4355 14.27119 139.9156 29.24792 -30.48013      32.54394 
1 1 1 -1  14 35 o 284.6794 6.922918 2385.088       115.5835 2379.213       126.6025 2414.499       283.2648 284.1223 7.604611 283.3392 17.12647 0.7831421      18.73890 
1 1 1 -1  14 36 o 171.8940 13.79968 885.4952       137.9491 982.9858       159.5747 597.1515       274.4340 180.7665 15.19250 133.7143 34.69920 47.05223       37.87936 
1 1 1 -1  14 37 o 308.8217 7.153658 2809.761       129.5647 2824.239       141.2572 2733.010       325.2378 309.3856 7.791223 300.0600 18.57275 9.325592       20.14076 
1 1 1 -1  14 38 o 228.3070 8.210184 1541.422       109.7526 1532.235       117.2318 1606.612       312.2744 227.4818 8.803773 226.2514 23.89447 1.230453       25.46472 
1 1 1 -1  14 39 o 111.0575 16.12429 380.8229       101.9548 407.1407       110.3004 226.3860       267.1943 114.6229 16.91570 90.45774 35.14441 24.16513       39.00346 
1 1 1 -1  14 40 o 156.6028 10.16482 733.8895       92.85317 736.5048       99.09977 715.0848       265.7360 156.6640 10.85290 142.4759 32.52093 14.18814       34.28405 
1 1 1 -1  14 41 o 77.29926 19.42573 194.1210       87.94833 198.5616       93.39553 159.3494       261.3458 77.98505 20.24506 81.69859 33.69748 -3.713547      39.31136 
1 1 1 -1  14 42 o 81.34422 19.26070 215.9252       90.45609 204.1375       95.43235 320.1933       283.8282 78.72863 20.47791 95.54397 36.45435 -16.81534      41.81225 
1 1 1 -1  14 43 o 137.6161 12.37219 578.6922       98.78948 609.9623       105.1806 344.5879       287.7898 141.0906 12.85214 96.21223 36.70823 44.87833       38.89308 
1 1 1 -1  14 44 o 85.24895 18.60604 239.0696       90.40546 244.5850       95.88081 194.8748       271.4126 85.84571 19.49094 81.78136 34.08878 4.064354       39.26757 
1 1 1 -1  14 45 o 113.9565 14.70009 408.6338       95.95849 536.9898       143.6024 305.0817       128.9832 127.6029 19.83278 93.47232 23.54455 34.13053       30.78449 
1 1 1 -1  14 46 o 68.79306 22.03961 161.0269       100.6033 83.69357       145.8320 231.2490       138.9653 60.99328 25.16607 80.10509 25.92510 -19.11181      36.13090 
1 1 1 -1  14 47 o 55.32358 21.92179 77.53186       105.7220 -42.52238      160.1591 170.2416       140.7426 51.59951 23.60343 70.69398 25.93144 -19.09447      35.06510 
1 1 1 -1  14 48 o 92.14462 22.10095 299.6062       117.8961 138.3046       184.1458 411.6499       153.4744 68.76272 28.31620 106.0126 25.07942 -37.24985      37.82571 
1 1 1 -1  14 49 o 49.38813 21.56774 15.68686       118.0838 -45.22878      179.5835 62.08551       156.7309 53.56992 24.68410 58.94035 25.29075 -5.370430      35.34016 
1 1 1 -1  15 1  o 741.5363 12.91978 16153.55       561.8730 15222.59       727.6804 17528.11       884.2136 719.3447 17.24857 771.3003 19.56293 -51.95563      26.08105 
1 1 1 -1  15 2  f 808.0806 13.94268 19188.00       660.7717 18428.08       880.0839 20169.84       1000.376 791.2213 18.96599 827.4824 20.61360 -36.26111      28.01124 
1 1 1 -1  15 3  o 145.5264 8.000080 623.3091       68.01625 531.7721       85.61423 779.9417       111.9924 134.1325 10.97931 162.5401 11.82934 -28.40759      16.13935 
1 1 1 -1  15 4  o 219.1842 6.964647 1410.890       89.41435 1452.494       121.3969 1361.557       132.1939 222.2649 9.333700 215.1022 10.51073 7.162659       14.05679 
1 1 1 -1  15 5  o 421.6259 6.823618 5215.283       168.7301 5243.950       206.5253 5157.737       292.6062 422.7346 8.330192 418.9237 11.92175 3.810944       14.54373 
1 1 1 -1  15 6  o 415.4994 6.823568 5064.794       166.2771 4925.270       196.8532 5412.227       310.6366 409.6946 8.192787 429.1115 12.35619 -19.41687      14.82555 
1 1 1 -1  15 7  o 562.6655 8.425990 9290.206       278.0493 9148.556       333.8106 9611.186       502.4920 558.2688 10.19545 571.6737 15.00050 -13.40491      18.13732 
1 1 1 -1  15 8  o 135.7399 8.885817 543.0358       70.34948 421.5455       95.06147 690.1287       104.5995 118.9819 13.88363 152.8556 11.75833 -33.87365      18.19378 
1 1 1 -1  15 9  o 387.5854 7.376903 4407.523       167.6841 4567.100       265.7015 4301.896       216.1708 394.2167 11.50465 382.7174 9.638604 11.49933       15.00865 
1 1 1 -1  15 10 o 595.1559 9.593031 10396.76       334.8398 10022.74       505.5757 10689.01       446.9036 583.7830 14.77861 603.2507 12.63181 -19.46771      19.44144 
1 1 1 -1  15 11 o 503.6513 14.08392 7460.077       415.6018 0.000000       0.000000 7460.077       415.6018 ?        ?        503.6513 14.08392 0.000000       14.08392 
1 1 1 -1  15 12 o 315.2926 8.779703 2919.825       162.1889 3059.805       226.1975 2771.708       232.6793 322.5462 11.97845 306.8832 12.95724 15.66296       17.64577 
1 1 1 -1  15 13 o 381.3376 9.101771 4268.351       203.5570 3948.650       259.0424 4784.449       329.1284 366.4466 12.06987 403.2330 13.93838 -36.78638      18.43801 
1 1 1 -1  15 14 o 495.4200 10.10363 7206.369       293.5630 7021.262       395.2796 7434.043       438.3789 488.5544 13.80947 502.5949 14.88881 -14.04053      20.30710 
1 1 1 -1  15 15 o 691.8577 12.45362 14065.18       505.3160 14220.75       718.7462 13913.13       710.5734 694.7334 17.65464 687.1749 17.64618 7.558533       24.96145 
1 1 1 -1  15 16 o 444.6918 7.391639 5803.338       192.7749 6104.083       280.3647 5533.654       265.4926 455.8887 10.48610 434.0685 10.42902 21.82022       14.78928 
1 1 1 -1  15 17 o 792.5653 11.14819 18457.04       518.1912 18135.45       721.4004 18799.86       744.8271 784.8627 15.67228 799.0654 15.89361 -14.20276      22.32100 
1 1 1 -1  15 18 o 792.7482 11.16036 18471.02       518.8763 18165.18       723.9152 18794.16       744.1051 785.2698 15.71876 798.7106 15.88526 -13.44080      22.34773 
1 1 1 -1  15 19 o 380.2999 6.710691 4245.037       149.6732 4129.867       206.2578 4373.140       217.5315 374.8199 9.390296 385.8047 9.614002 -10.98474      13.43900 
1 1 1 -1  15 20 o 199.7063 6.636221 1172.017       77.61749 1073.156       111.4711 1265.058       108.1401 190.8176 9.995629 207.3188 8.914846 -16.50116      13.39355 
1 1 1 -1  15 21 o 405.0889 6.865596 4818.091       163.1094 4751.383       227.5053 4888.647       233.9738 402.0250 9.649126 407.7764 9.783507 -5.751404      13.74128 
1 1 1 -1  15 22 o 381.4544 7.494809 4274.234       167.6694 4209.536       207.6148 4395.566       284.3139 378.3735 9.355933 386.0229 12.57519 -7.649384      15.67383 
1 1 1 -1  15 23 o 388.9408 6.155921 4441.833       140.4194 4487.351       162.6415 4308.567       278.2922 390.8436 7.095414 382.0851 12.43567 8.758484       14.31750 
1 1 1 -1  15 24 o 212.8819 5.833036 1331.656       72.75693 1356.097       80.06259 1215.769       174.3351 214.7864 6.362845 202.2379 14.80095 12.54848       16.11067 
1 1 1 -1  15 25 o 441.3302 6.624886 5722.082       171.4717 5945.368       205.1155 5203.906       312.4680 449.7008 7.777219 419.6427 12.71090 30.05814       14.90142 
1 1 1 -1  15 26 o 72.00808 13.51259 158.2341       54.96964 185.0876       58.34641 -53.82311      163.9610 78.08118 13.21216 55.95177 24.88045 22.12942       28.17087 
1 1 1 -1  15 27 o 254.8790 6.623175 1910.361       98.91966 1983.634       111.9740 1649.932       211.1011 259.6389 7.360977 235.3556 15.37803 24.28336       17.04898 
1 1 1 -1  15 28 o 121.6086 10.40815 439.1628       73.51850 476.4511       79.65295 224.6699       191.0388 126.6394 10.82844 88.63073 30.43655 38.00867       32.30539 
1 1 1 -1  15 29 o 370.3444 7.143548 4032.212       155.1566 4144.068       182.0286 3735.025       296.7054 375.2828 8.270476 354.7992 14.28833 20.48361       16.50931 
1 1 1 -1  15 30 o 306.1171 7.341853 2755.232       131.8086 2813.549       150.7585 2566.017       271.5576 309.1111 8.323614 293.5805 15.83046 15.53067       17.88535 
1 1 1 -1  15 31 o 71.00774 19.14538 155.7224       81.53467 177.9593       87.11284 -1.417761      231.5734 75.74834 19.49535 71.15553 30.63968 4.592804       36.31609 
1 1 1 -1  15 32 o 36.94932 16.66056 -38.25611      76.33565 -45.62102      81.55541 13.81698       216.8582 37.68045 17.08295 70.00815 29.88741 -32.32770      34.42505 
1 1 1 -1  15 33 o 200.1283 7.898397 1180.841       92.52183 1179.675       100.3911 1187.416       238.3925 199.9319 8.581730 197.5496 20.89243 2.382263       22.58627 
1 1 1 -1  15 34 o 38.25081 17.28080 -41.97686      82.58784 -50.25624      88.13868 17.61272       236.4574 38.94942 17.69802 72.55532 31.09722 -33.60590      35.78068 
1 1 1 -1  15 35 o 153.5423 10.12792 699.9046       90.69150 691.8556       97.09812 754.9315       253.8791 152.4993 10.92902 153.1716 29.32941 -0.6722717     31.29949 
1 1 1 -1  15 36 o 276.0354 7.240854 2245.996       117.1197 2236.708       127.5106 2296.115       296.2065 275.3268 7.904912 275.2368 18.45675 0.9005737E-01  20.07833 
1 1 1 -1  15 37 o 337.2045 7.210625 3351.390       142.5991 3394.259       157.0359 3149.873       340.4740 339.1828 7.894318 322.1349 18.09443 17.04788       19.74154 
1 1 1 -1  15 38 o 140.4652 11.47705 591.0998       93.72385 561.9118       99.86434 806.7856       271.4685 136.6308 12.60468 155.4915 30.85816 -18.86073      33.33323 
1 1 1 -1  15 39 o 145.7935 12.04517 640.2964       102.0734 679.3679       110.5237 413.6977       266.1669 149.9915 12.68307 108.5087 35.92503 41.48283       38.09814 
1 1 1 -1  15 40 o 251.3471 8.510261 1877.479       125.2681 1922.744       138.2205 1669.347       296.3859 254.0392 9.292950 228.1882 22.43679 25.85101       24.28515 
1 1 1 -1  15 41 o 129.3211 12.42869 509.1364       93.10460 508.6438       99.06654 512.8639       272.4961 128.9222 13.29267 116.0416 36.15796 12.88064       38.52393 
1 1 1 -1  15 42 f 154.9351 10.82079 724.5200       97.70588 670.9891       103.6321 1152.814       293.1318 148.5915 11.99369 182.3517 28.32864 -33.76018      30.76298 
1 1 1 -1  15 43 o 87.17139 19.69623 251.5337       98.31393 230.6815       104.5723 410.2665       288.5190 82.73933 21.39342 101.4154 37.13977 -18.67606      42.86071 
1 1 1 -1  15 44 o 41.73502 18.57259 -18.11755      91.53827 11.18852       97.07341 -253.3329      275.0137 46.15466 19.85554 57.49084 27.66934 -11.33618      34.05634 
1 1 1 -1  15 45 o 36.99850 17.40709 -83.95126      96.98615 -115.7309      101.8616 224.3922       317.2877 35.93281 17.17284 84.16595 36.04686 -48.23314      39.92847 
1 1 1 -1  15 46 o 65.09957 22.09964 141.2010       100.6613 118.0305       152.7980 158.9679       133.7995 65.22424 26.18416 69.13921 25.29626 -3.914970      36.40757 
1 1 1 -1  15 47 o 102.6437 18.87500 352.1826       109.4382 246.6185       162.7289 439.3526       147.8734 81.08521 28.08041 111.5037 23.36170 -30.41845      36.52777 
1 1 1 -1  15 48 o 187.3133 11.66808 1081.493       127.5430 1021.262       183.7524 1137.489       177.1735 176.2361 18.03212 187.9534 16.23195 -11.71733      24.26177 
1 1 1 -1  15 49 o 172.2268 13.17953 928.8019       132.1111 815.0730       189.8512 1035.576       183.9548 153.3977 21.70889 177.2833 17.93926 -23.88560      28.16191 
1 1 1 -1  16 1  o 536.5613 9.898979 8450.470       311.5016 8235.904       421.2824 8709.278       462.6820 529.3059 13.58235 544.2208 14.50924 -14.91486      19.87456 
1 1 1 -1  16 2  o 648.8695 11.51879 12362.47       438.3435 12140.76       601.6299 12613.34       639.9675 642.6368 15.96296 654.7388 16.67989 -12.10193      23.08754 
1 1 1 -1  16 3  o 547.6976 10.06780 8805.154       323.3896 8451.728       428.8040 9271.302       492.4590 536.1959 13.64702 561.4703 14.96857 -25.27435      20.25585 
1 1 1 -1  16 4  o 308.2052 6.185172 2786.534       111.8001 2932.063       138.0690 2509.406       190.5291 316.1241 7.447114 292.1428 11.14069 23.98126       13.40054 
1 1 1 -1  16 5  o 574.4388 8.560959 9683.329       288.4143 9578.813       347.3327 9915.431       517.6005 571.2332 10.36768 580.6283 15.21319 -9.395081      18.41005 
1 1 1 -1  16 6  o 371.8323 6.687839 4056.114       145.8423 3995.833       172.9904 4204.242       271.1777 369.0235 7.993144 378.1641 12.24323 -9.140656      14.62145 
1 1 1 -1  16 7  o 350.4162 6.712986 3602.376       137.9591 3501.457       164.9149 3837.642       251.7985 345.4356 8.140338 361.3047 11.89931 -15.86914      14.41730 
1 1 1 -1  16 8  o 748.2176 11.71313 16439.88       513.9860 16853.62       836.9098 16189.32       651.2820 756.7123 18.85807 742.1584 14.96311 14.55389       24.07326 
1 1 1 -1  16 9  o 352.2885 7.536978 3641.515       155.7207 3845.885       242.8054 3498.720       202.9576 361.7140 11.46016 345.0854 10.03899 16.62857       15.23537 
1 1 1 -1  16 10 o 339.0975 7.626993 3374.030       151.6801 3304.236       226.9745 3430.350       203.8931 335.2339 11.56190 341.6788 10.18636 -6.444855      15.40907 
1 1 1 -1  16 11 f 493.7408 9.845619 7156.492       285.0969 6924.483       379.6404 7456.553       431.7418 485.2632 13.35234 503.4365 14.63829 -18.17328      19.81324 
1 1 1 -1  16 12 o 742.6473 13.21536 16206.76       575.5885 15759.07       778.0319 16748.03       855.4789 731.6420 18.13211 753.7960 19.36711 -22.15405      26.53033 
1 1 1 -1  16 13 o 862.9875 13.12105 21886.60       664.0851 20904.38       997.5740 22668.28       889.9330 842.1436 20.19800 877.5582 17.29143 -35.41461      26.58858 
1 1 1 -1  16 14 o 246.6278 9.781216 1788.731       141.1963 1725.631       178.9340 1892.861       229.8608 241.9950 12.65164 253.1812 15.55553 -11.18622      20.05090 
1 1 1 -1  16 15 o 333.3087 7.440977 3260.364       145.4545 3287.889       227.7084 3241.391       189.0509 334.3163 11.63143 332.1012 9.716841 2.215088       15.15609 
1 1 1 -1  16 16 o 297.5538 7.386272 2598.613       128.8966 2439.512       204.4657 2703.541       166.0471 287.8274 12.13987 303.2766 9.346750 -15.44922      15.32117 
1 1 1 -1  16 17 o 269.0908 6.666700 2125.097       105.2108 2332.441       156.7565 1955.127       141.9273 281.6327 9.504183 257.8291 9.401807 23.80359       13.36875 
1 1 1 -1  16 18 o 34.38647 14.86946 -7.268920      54.99126 112.0053       98.64895 -61.04243      66.23740 64.10516 21.87565 31.62501 14.71709 32.48015       26.36545 
1 1 1 -1  16 19 f 537.1187 8.098921 8472.895       255.1220 8568.848       365.9218 8382.135       355.8817 539.7196 11.56031 533.8348 11.36706 5.884766       16.21268 
1 1 1 -1  16 20 o 203.9294 9.480022 1225.051       113.0706 1106.889       145.2684 1406.670       180.0996 193.4344 12.87857 217.9838 14.16433 -24.54944      19.14382 
1 1 1 -1  16 21 f 350.8611 6.542138 3614.564       134.6187 3779.922       198.7665 3474.441       182.9720 358.4186 9.464165 343.6666 9.086109 14.75201       13.11975 
1 1 1 -1  16 22 o 184.7717 6.608342 1003.911       71.49548 1050.051       108.7603 968.7994       94.87564 188.6619 9.863863 181.2951 8.950824 7.366806       13.31965 
1 1 1 -1  16 23 o 245.3769 5.641221 1767.711       81.18156 1739.080       88.68382 1915.774       201.6755 243.2709 6.221000 254.3611 13.56832 -11.09018      14.92649 
1 1 1 -1  16 24 o 305.6112 6.258965 2743.242       112.1818 2732.201       127.8339 2780.229       233.9710 304.9203 7.148407 306.5632 13.04323 -1.642975      14.87365 
1 1 1 -1  16 25 o 132.4255 8.001491 517.6076       61.85318 567.3459       66.08221 165.8988       175.7240 138.6466 8.163018 80.10515 29.03746 58.54144       30.16304 
1 1 1 -1  16 26 o 153.9398 7.536342 698.4677       67.83284 708.0456       72.34727 628.8276       195.0821 154.9456 7.988423 142.6245 24.18556 12.32108       25.47069 
1 1 1 -1  16 27 o 379.3176 6.994850 4229.548       155.6080 4222.442       180.4454 4250.161       307.3407 378.8370 8.121627 378.6362 13.86377 0.2007751      16.06751 
1 1 1 -1  16 28 o 417.4991 7.255988 5124.863       177.6653 5095.961       207.0957 5205.429       345.7641 416.1179 8.486025 419.0054 14.09055 -2.887543      16.44860 
1 1 1 -1  16 29 o 504.6784 7.482868 7489.626       221.4794 7556.301       256.3749 7293.489       439.7198 506.6876 8.627496 495.6726 15.14399 11.01498       17.42912 
1 1 1 -1  16 30 o 251.1650 7.312966 1856.423       107.6070 1814.732       117.4466 2074.427       268.5648 248.2292 8.078223 263.3915 17.48487 -15.16232      19.26080 
1 1 1 -1  16 31 o 204.1369 7.694945 1227.602       91.96009 1278.344       100.0335 950.7699       233.6540 208.2542 8.206390 176.1570 23.17817 32.09721       24.58805 
1 1 1 -1  16 32 o 153.1242 9.585157 694.0007       85.64652 686.1705       92.43669 741.5004       227.6682 152.1254 10.42377 154.0197 26.13776 -1.894302      28.13961 
1 1 1 -1  16 33 o 354.5675 6.845488 3698.211       142.3488 3788.432       161.0777 3376.512       304.1632 358.7243 7.656390 336.2865 15.46360 22.43781       17.25524 
1 1 1 -1  16 34 o 42.95454 18.45857 -3.087736      83.71973 -30.39347      88.97592 207.7543       247.2431 41.16143 18.31447 90.10658 34.10715 -48.94515      38.71327 
1 1 1 -1  16 35 o 127.6636 11.56143 487.0465       85.62486 492.0735       91.12643 449.1445       250.2188 128.1754 12.27213 116.5990 34.30395 11.57638       36.43304 
1 1 1 -1  16 36 o 198.2959 8.465843 1162.704       98.22766 1174.857       104.4829 1070.230       288.2172 199.2313 8.965014 183.0862 27.70732 16.14513       29.12160 
1 1 1 -1  16 37 o 61.28363 24.23574 73.73880       128.9837 158.1387       144.6186 -254.5045      285.2010 74.40420 26.41759 62.83307 29.65019 11.57113       39.71175 
1 1 1 -1  16 38 o 118.4319 14.57055 428.3408       99.07262 512.5381       106.4402 -117.4698      271.0051 129.8098 14.21339 66.71867 30.58833 63.09115       33.72931 
1 1 1 -1  16 39 o 229.2740 8.002671 1558.838       107.4420 1653.237       116.0389 991.6407       284.4364 235.9901 8.397545 171.1069 29.40378 64.88318       30.57942 
1 1 1 -1  16 40 o 42.10333 18.58631 -16.62733      89.87241 -52.85663      95.35888 271.3149       268.8338 39.84184 18.22048 91.84948 35.36855 -52.00764      39.78592 
1 1 1 -1  16 41 o 107.8032 17.22548 368.1965       105.2424 358.1635       112.6735 436.8199       294.6747 105.5307 18.89914 106.7265 37.72728 -1.195755      42.19626 
1 1 1 -1  16 42 o 85.09138 19.87911 238.9421       97.40569 256.7791       103.4512 99.57059       289.1749 88.03323 20.43193 77.65963 33.83529 10.37360       39.52582 
1 1 1 -1  16 43 o 126.1407 14.06579 494.7493       102.2882 545.7551       108.2835 72.02574       311.7317 132.5004 14.15354 76.41487 34.12205 56.08551       36.94099 
1 1 1 -1  16 44 o 32.47781 15.87456 -169.1063      100.1620 -178.1997      106.2600 -96.63041      299.9873 33.43677 16.34486 66.19790 30.97518 -32.76113      35.02308 
1 1 1 -1  16 45 o 119.6131 14.66635 451.4543       100.7344 481.7755       105.3060 124.8101       345.6347 123.5122 14.83411 79.09232 35.57553 44.41985       38.54438 
1 1 1 -1  16 46 f 64.60622 25.66134 119.9325       145.1961 194.2738       159.5331 -238.7974      350.4449 74.43380 27.55503 63.71077 30.80408 10.72303       41.33003 
1 1 1 -1  16 47 o 171.6554 12.18923 911.1290       121.9130 902.3629       180.6727 918.4570       165.1880 164.9554 19.02369 168.3997 16.95640 -3.444275      25.48373 
1 1 1 -1  16 48 o 50.33416 21.84268 22.78540       119.5138 246.6620       181.2805 -149.3307      158.9489 79.95695 29.41305 44.58237 21.34578 35.37458       36.34239 
1 1 1 -1  16 49 o 129.2277 17.31727 550.6957       127.9452 532.5401       184.5193 567.5085       177.5648 117.8805 27.23730 123.9351 25.28665 -6.054626      37.16565 
1 1 1 -1  17 1  o 370.0971 8.215038 4019.280       178.3100 4147.970       245.6137 3875.873       259.2776 375.7020 11.15938 363.0819 12.19345 12.62009       16.52912 
1 1 1 -1  17 2  o 406.0894 8.535844 4839.331       203.2912 4702.282       265.3298 5034.149       316.3465 400.0262 11.32098 413.7734 13.05250 -13.74722      17.27809 
1 1 1 -1  17 3  o 163.3352 9.950180 786.0004       94.86278 763.9708       116.9937 828.2827       162.0831 160.7975 12.50425 166.9924 16.77677 -6.194885      20.92406 
1 1 1 -1  17 4  o 939.1514 16.12394 25933.29       888.0906 24996.02       1186.440 27127.65       1339.308 920.9680 21.96598 959.0174 23.81242 -38.04944      32.39654 
1 1 1 -1  17 5  o 922.1578 12.94836 24980.05       700.2781 25207.61       867.3546 24553.98       1186.827 925.9252 15.97240 912.7148 22.17185 13.21039       27.32597 
1 1 1 -1  17 6  o 277.0953 7.030511 2254.169       114.1604 2213.345       135.3930 2354.579       212.3385 274.5027 8.420015 282.8275 12.83483 -8.324768      15.35023 
1 1 1 -1  17 7  o 775.5165 11.14137 17659.92       506.7340 17196.51       597.7117 18844.19       955.5031 765.0522 13.32141 799.5754 20.39279 -34.52319      24.35828 
1 1 1 -1  17 8  o 459.4152 7.388482 6192.914       199.0724 6152.599       259.6783 6250.379       310.0280 457.8182 9.671460 461.3449 11.45842 -3.526764      14.99442 
1 1 1 -1  17 9  o 296.2522 8.293788 2577.658       143.9586 2636.920       210.2814 2525.384       197.4959 299.3874 12.00045 293.0154 11.51499 6.372009       16.63147 
1 1 1 -1  17 10 o 405.6965 8.162409 4830.233       194.2094 4541.496       280.1973 5097.199       269.4263 393.0058 12.17134 416.4744 11.04039 -23.46860      16.43264 
1 1 1 -1  17 11 o 609.1241 10.09061 10893.92       360.4739 11045.49       573.1229 10794.70       463.6713 612.5567 15.96693 606.0859 13.04444 6.470764       20.61796 
1 1 1 -1  17 12 o 516.3034 10.21595 7827.581       309.3388 7520.891       410.1011 8232.414       471.1715 505.6096 13.84312 528.8285 15.20775 -23.21887      20.56472 
1 1 1 -1  17 13 o 663.5961 12.05986 12939.21       469.3496 12771.40       643.7454 13129.64       685.7668 658.4618 16.68334 667.4827 17.53324 -9.020874      24.20224 
1 1 1 -1  17 14 o 417.8166 9.186786 5125.671       225.1126 5061.855       299.2787 5208.823       341.6216 414.8136 12.31554 420.6200 13.86753 -5.806396      18.54672 
1 1 1 -1  17 15 o 322.3020 9.108731 3052.858       172.0029 3058.324       226.7432 3045.449       263.9781 322.3279 12.01564 321.4230 14.03748 0.9048767      18.47773 
1 1 1 -1  17 16 o 402.4788 9.027752 4757.550       213.0950 4564.519       277.5692 5034.629       332.5517 393.8091 12.03219 413.3845 13.73592 -19.57538      18.26059 
1 1 1 -1  17 17 o 343.1792 10.80507 3465.527       217.1989 3547.260       348.3975 3413.566       277.7889 346.2941 17.20846 340.2000 13.95252 6.094086       22.15410 
1 1 1 -1  17 18 o 203.7876 7.054330 1220.698       84.18385 1110.457       122.9470 1318.004       115.5087 194.0269 10.84771 211.5823 9.331562 -17.55534      14.30912 
1 1 1 -1  17 19 o 115.7708 9.047086 396.2753       60.93935 462.1915       102.0673 359.7624       75.96497 124.4077 14.24568 109.9090 11.97861 14.49863       18.61254 
1 1 1 -1  17 20 o 146.6792 7.539809 633.6437       64.64270 615.2825       101.4131 646.2094       83.89523 144.0304 12.11804 147.9200 9.724679 -3.889664      15.53758 
1 1 1 -1  17 21 o 339.9569 6.555916 3393.943       130.7097 3584.653       192.3256 3230.244       178.1859 348.9819 9.405454 331.2982 9.179578 17.68372       13.14257 
1 1 1 -1  17 22 o 50.37508 15.41027 75.21022       49.76664 -9.752748      105.0188 99.81541       56.51525 47.69866 20.58699 57.29292 16.13619 -9.594261      26.15723 
1 1 1 -1  17 23 o 149.7955 7.926338 661.5136       69.38622 650.2717       113.7083 668.1831       87.58257 147.8025 13.25848 150.3166 9.991545 -2.514023      16.60175 
1 1 1 -1  17 24 o 422.2528 6.588650 5238.585       163.1622 5472.315       195.4767 4701.682       296.2693 431.4120 7.725958 398.7809 12.68395 32.63110       14.85170 
1 1 1 -1  17 25 o 337.3206 6.117882 3342.629       121.0304 3497.160       140.0615 2887.070       240.4831 344.9427 6.923431 312.2049 13.16345 32.73773       14.87314 
1 1 1 -1  17 26 f 101.6753 10.70998 308.2040       62.90565 291.3773       66.47958 452.1993       194.4747 98.66486 11.71737 119.5421 28.19884 -20.87721      30.53640 
1 1 1 -1  17 27 o 201.4931 6.758547 1194.616       79.75336 1222.474       85.94035 1021.768       214.0688 203.7847 7.202086 183.7444 20.19766 20.04031       21.44331 
1 1 1 -1  17 28 o 204.6891 7.475333 1233.661       89.58714 1259.991       96.76321 1075.641       237.0540 206.8043 7.993162 188.1076 21.89659 18.69675       23.30989 
1 1 1 -1  17 29 o 296.1758 7.329940 2579.189       127.3211 2452.111       139.0622 3237.841       316.5934 288.5713 8.225244 329.6843 16.42567 -41.11298      18.37001 
1 1 1 -1  17 30 o 94.05515 15.50739 269.3285       82.56199 321.7023       87.40837 -164.0662      251.4420 103.1223 14.88287 63.81864 29.33424 39.30367       32.89373 
1 1 1 -1  17 31 o 39.61173 17.41718 -19.40241      78.19304 -28.07146      82.96607 49.50380       233.9074 39.93163 17.73095 75.21865 31.52053 -35.28702      36.16532 
1 1 1 -1  17 32 o 174.8868 8.821142 903.6049       90.18365 935.6929       96.56931 684.7657       252.1917 177.9017 9.287852 146.1742 30.40934 31.72743       31.79610 
1 1 1 -1  17 33 o 278.5856 7.049632 2285.577       115.0871 2206.296       123.9840 2779.266       309.3914 273.5886 7.734876 304.0217 17.42513 -30.43311      19.06472 
1 1 1 -1  17 34 o 180.6822 8.773030 965.4703       92.68628 960.3461       98.48846 1005.156       274.0881 180.0964 9.356676 178.3058 27.05916 1.790619       28.63120 
1 1 1 -1  17 35 o 374.7342 7.033762 4135.621       154.5829 4205.109       171.8783 3841.538       353.5916 377.6929 7.759461 357.1287 16.93032 20.56427       18.62377 
1 1 1 -1  17 36 o 294.4755 7.321657 2556.410       126.4472 2565.799       137.4113 2504.518       323.0418 294.7694 7.955854 286.3813 19.34729 8.388123       20.91921 
1 1 1 -1  17 37 o 54.35874 20.30101 72.12930       86.95480 89.12211       92.16349 -65.58662      262.3726 58.00839 21.02896 68.90920 30.99542 -10.90081      37.45575 
1 1 1 -1  17 38 o 235.0036 7.821291 1635.470       107.6461 1693.236       116.0975 1281.479       287.3964 238.9767 8.296133 199.0262 25.18480 39.95052       26.51603 
1 1 1 -1  17 39 o 74.07499 21.23659 178.1782       97.02316 221.1053       102.8935 -166.1498      291.4123 82.21976 21.20154 65.52727 30.61823 16.69250       37.24220 
1 1 1 -1  17 40 o 207.2894 8.682319 1280.336       105.3175 1303.985       111.7771 1093.280       314.3609 209.0195 9.140433 175.5792 31.69448 33.44029       32.98617 
1 1 1 -1  17 41 o 125.1625 13.56359 481.9307       97.97395 502.1748       102.9276 286.6712       319.6599 127.6081 13.98183 93.25627 37.71856 34.35182       40.22662 
1 1 1 -1  17 42 o 233.6079 8.417937 1629.217       115.1418 1614.355       122.9084 1735.789       329.1286 232.2222 9.041863 225.9891 25.26471 6.233139       26.83395 
1 1 1 -1  17 43 o 82.68649 20.70760 230.4848       100.1886 287.7233       105.5266 -292.7332      319.0504 92.96188 19.95261 60.96076 29.45431 32.00112       35.57616 
1 1 1 -1  17 44 o 134.4867 13.73414 563.2872       106.8066 594.8620       113.7508 328.1109       310.4426 137.9243 14.26832 91.57485 37.12277 46.34940       39.77040 
1 1 1 -1  17 45 o 60.33042 22.32076 110.7556       104.6531 82.06796       109.8820 390.8395       343.3392 56.65525 22.38060 94.63636 38.78448 -37.98111      44.77865 
1 1 1 -1  17 46 o 190.0618 10.27411 1098.509       114.0964 1128.336       120.9589 857.7926       343.6249 192.2955 10.76853 134.0147 40.39046 58.28085       41.80132 
1 1 1 -1  17 47 o 174.5325 12.21529 943.4386       124.2453 966.5673       183.1495 923.7204       169.1080 170.9454 18.56610 168.2381 17.38950 2.707352       25.43806 
1 1 1 -1  17 48 o 144.5771 14.62628 665.0314       122.3138 741.4581       176.5162 594.4397       169.6440 146.9337 21.08742 129.4401 23.19917 17.49361       31.35093 
1 1 1 -1  18 1  o 139.4804 13.84044 577.2542       111.7257 646.2448       136.4592 436.9610       194.5925 147.3850 16.04572 119.1960 28.26745 28.18897       32.50406 
1 1 1 -1  18 2  o 409.0136 9.202414 4910.150       220.7446 4991.779       295.4138 4806.946       332.1685 412.0735 12.23734 404.2048 14.03349 7.868713       18.61965 
1 1 1 -1  18 3  o 360.0307 9.019077 3806.774       190.2874 3835.950       247.4631 3764.564       297.6470 361.2230 11.69654 357.6246 14.21970 3.598419       18.41219 
1 1 1 -1  18 4  o 340.2141 8.997964 3399.508       179.3766 3305.786       229.2007 3547.645       288.1541 335.3041 11.67319 347.1510 14.18310 -11.84695      18.36909 
1 1 1 -1  18 5  o 711.7186 10.45196 14871.97       436.2712 14752.15       525.3105 15138.31       783.2288 708.6456 12.63969 716.8683 18.64522 -8.222717      22.52568 
1 1 1 -1  18 6  o 613.8491 9.352635 11060.56       336.7024 11124.16       412.0374 10932.75       584.1425 615.4609 11.41526 609.4489 16.35776 6.011963       19.94704 
1 1 1 -1  18 7  o 521.1491 8.411875 7970.852       257.1019 7903.291       309.8170 8120.289       460.7685 518.8358 10.18180 525.3284 14.97078 -6.492615      18.10507 
1 1 1 -1  18 8  o 399.4135 7.731589 4681.447       181.1098 4623.707       216.6359 4815.479       330.0622 396.8782 9.307279 404.5241 13.93316 -7.645874      16.75585 
1 1 1 -1  18 9  f 36.29488 17.74797 -240.9954      125.5987 -490.4972      218.0418 -117.0971      153.6511 45.34850 22.40981 49.74444 22.88911 -4.395939      32.03297 
1 1 1 -1  18 10 o 339.5688 7.923447 3384.032       157.7947 3515.156       237.4641 3280.352       211.1563 345.7176 11.72885 334.0353 10.79274 11.68228       15.93891 
1 1 1 -1  18 11 o 375.8871 7.795742 4146.663       171.8562 4042.245       259.3162 4228.443       229.4906 370.7244 11.94249 379.3161 10.32565 -8.591736      15.78740 
1 1 1 -1  18 12 o 137.3141 13.58954 559.7883       108.0048 527.4006       132.2728 624.5801       187.0857 132.6939 17.41694 143.6367 22.98331 -10.94276      28.83717 
1 1 1 -1  18 13 f 651.9677 10.38388 12486.22       397.0418 12381.91       624.9330 12556.83       514.1452 648.1792 16.45277 653.4270 13.41647 -5.247803      21.22958 
1 1 1 -1  18 14 o 361.7817 8.987553 3843.655       190.6947 3657.374       244.7505 4131.441       304.2105 352.5192 11.85519 374.4512 13.87651 -21.93198      18.25112 
1 1 1 -1  18 15 o 276.5105 7.570331 2246.274       122.6502 2286.005       187.8886 2216.772       161.9045 278.6041 11.52394 274.4871 10.07451 4.117065       15.30676 
1 1 1 -1  18 16 o 183.3459 11.88863 992.9218       127.1468 1022.557       161.7117 944.9368       205.7724 185.6864 14.97642 177.6199 20.10672 8.066498       25.07137 
1 1 1 -1  18 17 o 417.3477 9.007805 5117.719       220.4792 5118.422       299.2943 5116.884       326.0274 416.8477 12.25582 416.6084 13.36096 0.2392883      18.13064 
1 1 1 -1  18 18 o 192.6648 7.029706 1091.411       79.29783 1275.570       119.6496 947.1617       105.8941 208.0591 9.833425 179.1879 10.11768 28.87125       14.10899 
1 1 1 -1  18 19 o 173.1261 7.091695 881.7384       71.85266 770.4570       105.5392 977.8813       98.09828 161.3965 11.21971 182.1453 9.213095 -20.74887      14.51768 
1 1 1 -1  18 20 o 606.7179 8.939739 10823.87       318.0989 11050.11       458.7354 10614.33       441.4801 612.1542 12.77765 600.0220 12.54566 12.13214       17.90703 
1 1 1 -1  18 21 o 238.5646 6.597093 1672.908       92.21297 1736.013       138.2157 1622.288       123.7911 242.6894 9.730548 234.6799 9.010955 8.009537       13.26201 
1 1 1 -1  18 22 o 84.15152 11.42022 212.5177       54.90889 264.1706       97.17484 188.2904       66.55180 92.67924 18.52620 78.49229 15.00387 14.18696       23.83980 
1 1 1 -1  18 23 o 294.2322 6.475075 2543.395       111.7340 2519.313       157.2597 2567.945       158.7829 292.4175 9.181252 295.2290 9.181689 -2.811462      12.98456 
1 1 1 -1  18 24 o 213.7489 5.932101 1343.053       74.29214 1322.611       79.86290 1474.432       202.4660 212.0693 6.428629 222.4086 15.62144 -10.33922      16.89250 
1 1 1 -1  18 25 f 387.2169 6.376777 4405.697       144.8125 4553.164       167.5612 3970.508       287.8488 393.5253 7.260226 366.0776 13.43004 27.44772       15.26686 
1 1 1 -1  18 26 o 430.8894 7.407545 5459.597       187.1934 5583.263       223.9209 5172.598       341.1210 435.4998 8.767104 417.7121 13.94408 17.78763       16.47117 
1 1 1 -1  18 27 o 309.7714 6.544575 2819.926       118.8977 2862.942       132.4039 2640.765       270.2150 312.0506 7.234777 297.9037 15.51970 14.14688       17.12317 
1 1 1 -1  18 28 o 370.1336 6.867308 4026.788       149.0718 3948.659       164.7498 4379.668       350.1337 366.4193 7.666480 383.8400 15.58610 -17.42065      17.36955 
1 1 1 -1  18 29 o 285.2021 7.679345 2394.180       128.3311 2471.189       142.2512 2057.465       297.4525 289.6525 8.382724 261.6392 19.52573 28.01337       21.24910 
1 1 1 -1  18 30 o 233.3311 7.486181 1603.114       102.3107 1639.723       109.8664 1364.081       280.7359 235.9208 7.951871 211.4456 23.00921 24.47516       24.34453 
1 1 1 -1  18 31 o 139.4370 10.42435 577.1000       84.62975 599.3063       89.86437 402.9774       251.6386 142.0353 10.87060 112.4824 34.69680 29.55290       36.35984 
1 1 1 -1  18 32 o 297.2274 7.015813 2599.583       122.2974 2612.890       133.0132 2526.834       311.0041 297.7981 7.622184 289.5640 18.40880 8.234100       19.92439 
1 1 1 -1  18 33 o 409.2510 7.088796 4930.616       170.1425 4917.006       190.4437 4984.436       378.7161 408.4802 7.949596 408.0086 15.85702 0.4716187      17.73813 
1 1 1 -1  18 34 o 159.2691 9.924456 752.8823       92.24129 757.5124       97.68253 714.7617       280.2878 159.6481 10.49097 146.8833 33.30709 12.76488       34.92024 
1 1 1 -1  18 35 o 343.5391 7.182114 3477.566       144.7035 3425.464       158.0724 3747.085       359.5224 340.7810 7.909158 352.0548 17.46721 -11.27383      19.17442 
1 1 1 -1  18 36 o 66.34125 21.27116 133.7406       93.69643 189.9136       98.57968 -391.4783      301.4349 77.33007 21.13685 59.69037 28.78826 17.63970       35.71457 
1 1 1 -1  18 37 o 71.04217 20.17083 160.3686       87.94688 174.1885       92.89496 40.91228       273.1145 73.86546 20.64650 76.33070 33.07213 -2.465248      38.98774 
1 1 1 -1  18 38 o 70.62945 21.74211 159.1626       98.87114 156.8644       105.1021 176.8390       291.4847 70.43117 22.52315 86.43305 35.61254 -16.00188      42.13722 
1 1 1 -1  18 39 o 112.6634 14.89902 393.0102       96.03365 391.6757       102.0212 403.3889       284.5090 112.0378 15.97880 104.7640 37.06736 7.273888       40.36473 
1 1 1 -1  18 40 o 207.1221 8.879234 1280.100       107.6075 1222.166       113.6895 1778.526       333.4677 202.0684 9.621005 231.3880 24.96809 -29.31961      26.75760 
1 1 1 -1  18 41 o 54.17511 21.04946 70.13425       95.85622 101.7064       100.1764 -272.4106      329.9682 59.65022 21.87794 63.85379 30.62124 -4.203568      37.63382 
1 1 1 -1  18 42 o 138.4048 12.80066 589.0923       102.7275 602.5011       108.4877 472.7866       319.5116 139.6729 13.40846 105.7247 39.02154 33.94824       41.26097 
1 1 1 -1  18 43 o 86.52023 20.30517 252.0217       101.2515 262.7962       106.4695 150.1130       327.4402 88.07401 20.92385 80.87663 35.59864 7.197372       41.29250 
1 1 1 -1  18 44 o 85.38949 21.49795 251.2709       107.5722 214.5779       113.9432 552.1381       326.2753 78.26608 23.18084 109.0464 39.56169 -30.78033      45.85279 
1 1 1 -1  18 45 o 60.89613 22.64709 113.9994       107.9922 144.7507       113.8526 -161.8530      340.9964 66.01477 23.43964 65.53957 31.34896 0.4752045      39.14299 
1 1 1 -1  18 46 o 40.27687 18.70675 -63.97490      106.2081 -72.17941      112.0937 8.055744       332.1341 40.88710 19.06675 70.96301 33.00048 -30.07591      38.11263 
1 1 1 -1  18 47 o 66.57740 26.42161 138.4375       153.8012 -32.76838      174.0246 749.2970       328.7169 53.66998 24.57063 122.4519 39.89128 -68.78192      46.85115 
1 1 1 -1  18 48 o 73.23684 23.86131 194.9016       117.6111 99.86337       173.5410 275.6309       159.9441 63.67294 26.94187 83.86329 27.85151 -20.19035      38.75011 
1 1 1 -1  19 1  o 676.2745 12.50656 13435.64       496.0341 13950.20       716.5869 12962.24       687.3240 688.2383 17.76818 663.4178 17.68118 24.82043       25.06656 
1 1 1 -1  19 2  o 677.9598 12.62808 13503.32       502.1019 14600.20       755.3082 12634.78       672.1100 703.9981 18.30927 654.9981 17.51216 49.00000       25.33584 
1 1 1 -1  19 3  o 827.0209 14.63064 20107.37       709.6276 19710.64       964.5698 20575.43       1047.707 817.9011 20.10863 835.1153 21.40924 -17.21423      29.37196 
1 1 1 -1  19 4  o 1212.964 20.63153 43364.78       1467.675 42142.90       1985.129 44837.92       2179.701 1193.045 28.37143 1229.807 30.22105 -36.76160      41.45178 
1 1 1 -1  19 5  o 350.5725 7.627157 3606.503       156.8163 3529.635       183.4424 3815.151       302.2260 346.6494 9.030855 359.9615 14.34484 -13.31213      16.95083 
1 1 1 -1  19 6  o 378.5036 7.537814 4204.078       167.3270 4268.966       201.5073 4059.969       300.2984 381.3550 9.009707 371.3925 13.81104 9.962494       16.48999 
1 1 1 -1  19 7  o 224.3602 8.413736 1479.514       110.5135 1578.432       128.1998 1193.367       218.0446 231.6814 9.454947 200.4111 18.76963 31.27031       21.01655 
1 1 1 -1  19 8  o 492.3939 8.066014 7115.817       232.9283 7075.528       280.9681 7204.359       416.5245 490.8987 9.759211 494.7723 14.36961 -3.873627      17.37031 
1 1 1 -1  19 9  o 991.2455 13.87335 28890.00       806.5164 28692.78       977.5626 29310.39       1427.230 987.2204 16.88418 995.6304 24.44249 -8.409973      29.70708 
1 1 1 -1  19 10 f 422.8536 8.318529 5248.626       206.2942 5304.089       234.0865 5055.774       436.5029 425.0221 9.391054 413.8429 18.02786 11.17923       20.32722 
1 1 1 -1  19 11 o 371.2433 8.874078 4046.555       193.2112 3851.057       251.7862 4326.542       301.3210 361.7900 11.88268 383.3280 13.42392 -21.53796      17.92762 
1 1 1 -1  19 12 o 445.2390 9.344636 5821.986       244.0092 5508.220       316.7598 6279.914       382.6714 432.6358 12.49719 461.7480 14.14761 -29.11218      18.87683 
1 1 1 -1  19 13 o 657.9076 11.96285 12727.46       461.5833 12433.74       625.0573 13079.75       684.5460 649.2800 16.42805 665.6740 17.54969 -16.39398      24.03898 
1 1 1 -1  19 14 o 176.4164 12.42962 920.0870       127.7787 1117.227       162.5407 601.1467       206.7426 194.2474 14.36952 140.0078 26.13944 54.23969       29.82874 
1 1 1 -1  19 15 o 171.0143 11.63739 864.2141       116.0228 853.3505       147.4090 881.9010       188.0892 169.5024 14.98264 171.6887 18.99720 -2.186295      24.19448 
1 1 1 -1  19 16 o 397.7171 8.933505 4647.827       208.3755 4610.614       278.1933 4695.391       314.5126 395.6191 12.00388 399.0103 13.45940 -3.391266      18.03465 
1 1 1 -1  19 17 o 168.3519 11.71092 838.3156       114.9062 826.1883       146.4766 857.7198       185.2822 166.6384 15.15352 169.1333 19.00763 -2.494858      24.30883 
1 1 1 -1  19 18 o 78.00919 14.00155 184.9279       61.70402 18.45581       119.7063 245.1645       72.00736 54.16324 22.61256 90.09918 14.08827 -35.93594      26.64221 
1 1 1 -1  19 19 o 503.0752 7.931823 7437.675       234.0219 7471.778       332.2860 7404.112       329.6436 503.6705 11.24903 501.3922 11.21028 2.278290       15.88115 
1 1 1 -1  19 20 o 109.9311 9.356456 358.0941       59.75023 440.8203       98.27343 309.5789       75.25813 121.3615 14.06743 101.6278 12.91824 19.73368       19.09904 
1 1 1 -1  19 21 o 85.54873 11.52786 219.6054       56.36732 194.4219       96.73194 232.5532       69.36019 79.27744 20.61498 87.64641 13.96148 -8.368965      24.89780 
1 1 1 -1  19 22 f 81.08778 12.55068 198.6347       57.75962 303.0070       109.2294 158.1217       68.05246 99.16826 19.47618 71.59106 16.54070 27.57720       25.55223 
1 1 1 -1  19 23 o 105.4027 9.863788 330.1156       60.26595 361.0822       110.9760 317.1638       71.77100 108.7465 18.03189 102.9435 12.11972 5.802925       21.72641 
1 1 1 -1  19 24 o 564.8845 8.704336 9392.543       288.3672 9671.147       420.2025 9144.534       396.4580 572.0460 12.52499 556.3812 12.14994 15.66473       17.44983 
1 1 1 -1  19 25 o 640.8810 8.798763 12091.51       330.7117 12255.85       391.6962 11683.53       617.1602 644.7339 10.35901 626.5155 16.81157 18.21844       19.74685 
1 1 1 -1  19 26 o 209.8886 6.913644 1296.319       84.98717 1321.633       90.61712 1111.374       244.9311 211.8879 7.303034 191.1124 22.26945 20.77551       23.43635 
1 1 1 -1  19 27 o 57.52946 19.04500 94.32632       74.80399 87.33389       78.47415 163.8789       247.4965 56.58390 19.50442 87.22574 33.84208 -30.64184      39.06033 
1 1 1 -1  19 28 o 298.7271 7.438166 2624.211       130.3140 2655.147       142.8259 2470.491       318.3779 300.2932 8.117259 287.0142 19.02156 13.27908       20.68115 
1 1 1 -1  19 29 o 309.4902 7.224160 2816.770       131.1248 2779.686       143.1871 3009.467       326.4004 307.2520 7.952873 317.2155 17.61385 -9.963562      19.32604 
1 1 1 -1  19 30 o 231.1895 7.526363 1574.333       101.9118 1601.439       108.4598 1369.967       297.8145 233.1142 7.944834 211.0884 24.51167 22.02583       25.76708 
1 1 1 -1  19 31 o 162.2988 9.273764 779.3961       87.90437 769.5984       93.45559 854.5956       258.9111 161.1654 9.935725 164.5453 27.82025 -3.379929      29.54124 
1 1 1 -1  19 32 o 238.3077 7.678092 1674.482       107.1704 1584.236       114.6102 2302.662       302.3802 231.6552 8.450048 275.9582 18.79574 -44.30305      20.60784 
1 1 1 -1  19 33 o 71.68819 19.55622 160.5529       84.48359 161.4418       88.83092 152.1321       273.4059 71.94855 20.21836 87.10603 35.00575 -15.15749      40.42505 
1 1 1 -1  19 34 o 256.9803 7.672417 1948.477       115.5037 1986.803       125.0388 1725.546       301.5659 259.3780 8.230213 236.6029 21.98409 22.77513       23.47417 
1 1 1 -1  19 35 o 121.4264 13.74359 446.0263       96.15456 438.3927       101.0265 519.4943       313.4159 120.1243 14.64234 122.6852 38.85542 -2.560883      41.52278 
1 1 1 -1  19 36 o 127.8697 12.35545 492.6628       91.50390 487.9241       96.61200 533.9541       285.1859 127.0213 13.15932 123.1322 36.72384 3.889107       39.01036 
1 1 1 -1  19 37 o 110.7875 14.00354 375.6596       88.95780 381.3551       93.64167 322.9617       284.8401 111.4083 14.68937 99.21182 36.80239 12.19648       39.62567 
1 1 1 -1  19 38 f 66.60867 21.03844 140.4197       91.94109 168.3147       96.22729 -151.9462      311.5285 72.10789 21.28874 68.36215 31.84798 3.745743       38.30802 
1 1 1 -1  19 39 o 225.2353 11.86862 1532.140       156.2255 1572.467       180.2484 1410.374       313.2094 227.1700 13.59128 204.5658 26.74665 22.60420       30.00177 
1 1 1 -1  19 40 o 55.95080 21.10441 81.93158       94.47208 77.32555       99.38847 125.0635       304.1385 55.89289 21.50976 80.92620 34.98163 -25.03331      41.06561 
1 1 1 -1  19 41 o 64.78403 21.39815 135.0971       94.44737 171.1814       98.98659 -231.4959      315.5074 71.63420 21.69741 63.29573 30.24270 8.338474       37.22094 
1 1 1 -1  19 42 o 43.55773 19.29516 -13.70326      97.67343 -47.97775      102.5764 319.3311       319.7471 41.38064 18.91407 92.45136 37.60237 -51.07072      42.09133 
1 1 1 -1  19 43 o 39.74809 18.46470 -68.22132      103.5538 -137.0388      108.9268 578.1569       333.8328 36.25179 17.43873 112.0038 40.09683 -75.75198      43.72488 
1 1 1 -1  19 44 o 236.2603 9.416333 1683.616       130.2124 1784.328       140.5775 1075.230       345.5141 242.8885 9.889345 158.2540 37.75630 84.63452       39.02996 
1 1 1 -1  19 45 o 46.72029 20.55079 1.348789       108.9576 55.76351       114.7133 -500.4486      348.3531 53.63655 22.24296 56.21764 27.87775 -2.581089      35.66396 
1 1 1 -1  19 46 o 33.44814 16.53965 -232.0313      119.4549 -258.8228      128.6834 -65.08279      321.2296 34.22660 16.96757 66.64256 31.45376 -32.41595      35.73846 
1 1 1 -1  19 47 o 173.7390 14.30466 954.9983       144.4656 1027.406       161.3759 662.8076       324.1748 179.1055 15.51601 114.1761 39.62836 64.92941       42.55764 
1 1 1 -1  20 1  o 528.7923 10.66987 8211.671       330.8984 8317.020       449.4796 8087.020       488.9273 531.6548 14.42884 524.0499 15.92669 7.604858       21.49072 
1 1 1 -1  20 2  o 158.4109 14.43375 743.9205       132.6244 824.6799       157.4731 546.8632       245.9836 166.6210 16.32409 133.0580 31.93001 33.56303       35.86086 
1 1 1 -1  20 3  o 109.1015 16.20955 357.8159       100.5703 380.1338       111.8177 263.3204       230.0855 112.3037 17.55124 97.92171 33.40883 14.38199       37.73852 
1 1 1 -1  20 4  o 274.0437 7.805445 2205.801       125.3215 2290.643       144.7855 1952.349       250.2456 279.2048 8.853211 257.0138 16.69226 22.19101       18.89474 
1 1 1 -1  20 5  o 751.6703 10.91797 16595.24       481.3044 17364.23       620.4550 15433.27       762.6835 768.5195 13.76591 723.8713 17.96522 44.64825       22.63293 
1 1 1 -1  20 6  f 941.2033 13.21691 26040.64       729.5649 25664.70       872.8230 26912.33       1329.067 933.8660 15.93643 954.2275 23.74895 -20.36157      28.60039 
1 1 1 -1  20 7  o 376.3069 7.216932 4155.622       159.2742 4141.889       189.1789 4189.054       295.1723 375.6250 8.587520 377.2339 13.36291 -1.608826      15.88436 
1 1 1 -1  20 8  o 746.2349 10.80215 16358.92       472.7550 16699.81       591.7195 15757.29       786.0963 753.6061 13.38816 730.9168 18.35274 22.68933       22.71708 
1 1 1 -1  20 9  o 338.1902 6.767553 3356.378       134.2280 3381.125       169.6046 3314.896       219.5866 339.2523 8.531178 335.6906 11.16918 3.561707       14.05459 
1 1 1 -1  20 10 o 443.7707 7.210083 5780.146       187.6504 5747.368       242.1293 5829.440       296.9337 442.3728 9.332725 445.2083 11.38157 -2.835480      14.71869 
1 1 1 -1  20 11 o 579.6077 9.673162 9868.868       328.8161 9977.834       517.6614 9795.166       425.7336 581.8412 15.18316 577.0822 12.57910 4.758972       19.71705 
1 1 1 -1  20 12 o 150.8181 11.67757 672.8534       102.4855 615.9551       145.9775 728.1570       143.9174 143.3978 17.73537 156.3772 15.91388 -12.97937      23.82845 
1 1 1 -1  20 13 o 253.5099 9.181243 1890.586       136.2791 1772.207       167.2760 2124.241       235.0092 245.1880 11.66625 268.0585 15.00868 -22.87048      19.00952 
1 1 1 -1  20 14 o 336.1966 8.819555 3322.979       173.7462 3245.056       221.8913 3446.473       279.3384 331.9384 11.41508 341.7349 13.96712 -9.796509      18.03842 
1 1 1 -1  20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  20 16 o 346.0655 7.382573 3517.527       149.8361 3596.967       235.4037 3463.422       194.2717 349.3625 11.50480 343.0614 9.665408 6.301117       15.02600 
1 1 1 -1  20 17 o 322.3393 7.199361 3051.976       136.0999 3082.659       211.0230 3030.123       178.0893 323.3853 11.14316 320.8464 9.474716 2.538849       14.62670 
1 1 1 -1  20 18 o 327.0378 7.160983 3142.034       137.3476 3287.043       218.4290 3047.205       176.6372 333.8781 11.17079 321.7203 9.371653 12.15775       14.58130 
1 1 1 -1  20 19 o 320.4904 8.743396 3023.079       164.1874 3378.320       231.1396 2661.269       233.2672 338.3371 11.66606 299.9457 13.29354 38.39136       17.68658 
1 1 1 -1  20 20 o 301.0888 6.817319 2663.471       120.3812 2935.772       181.0948 2447.881       161.1371 315.6318 9.794917 288.2233 9.545868 27.40845       13.67713 
1 1 1 -1  20 21 o 394.4342 7.054498 4572.404       163.1891 4432.589       225.7455 4725.438       236.1762 387.8044 9.933761 400.3911 10.06574 -12.58679      14.14209 
1 1 1 -1  20 22 o 50.40252 15.66635 74.98644       51.18961 173.1662       103.2167 42.96134       58.95008 75.23770 22.00427 44.29618 16.67920 30.94152       27.61129 
1 1 1 -1  20 23 o 289.6907 6.805183 2466.586       115.6178 2353.737       161.4708 2585.316       165.6249 282.4746 9.761517 296.0971 9.550136 -13.62250      13.65622 
1 1 1 -1  20 24 o 464.5763 7.834449 6348.752       213.4598 6479.712       307.6714 6227.213       296.3994 468.5840 11.19565 459.4137 11.00076 9.170319       15.69584 
1 1 1 -1  20 25 o 215.1680 6.675707 1361.972       84.13947 1400.262       89.49993 1070.743       246.8296 218.1395 7.004889 187.3300 22.94521 30.80946       23.99065 
1 1 1 -1  20 26 o 240.2368 7.164776 1698.232       100.8340 1782.296       109.0285 1201.220       265.1056 246.0681 7.563976 198.4999 23.21000 47.56815       24.41143 
1 1 1 -1  20 27 o 257.7214 7.548972 1955.020       113.9779 1945.563       122.9950 2012.515       303.2666 257.0143 8.170181 258.5728 20.15737 -1.558563      21.75021 
1 1 1 -1  20 28 o 208.5621 8.059242 1281.892       98.39249 1289.891       104.7768 1222.186       286.2474 209.1465 8.560177 199.4176 25.02489 9.728912       26.44848 
1 1 1 -1  20 29 o 380.0337 7.491299 4249.227       166.9667 4179.139       185.3968 4550.100       384.1248 376.7271 8.391215 390.3028 16.82058 -13.57571      18.79745 
1 1 1 -1  20 30 o 357.9166 7.041999 3768.734       147.8183 3750.509       161.7561 3861.024       364.0069 356.9320 7.727244 358.9420 17.34291 -2.009949      18.98649 
1 1 1 -1  20 31 o 204.4633 8.276914 1234.127       99.04570 1214.307       105.0597 1392.530       297.0045 202.7135 8.858347 212.1008 24.31560 -9.387253      25.87892 
1 1 1 -1  20 32 o 78.87747 18.68072 194.8341       85.07561 177.2407       89.44922 361.6597       275.4439 75.20273 19.95401 107.2500 36.55463 -32.04724      41.64617 
1 1 1 -1  20 33 o 127.9845 12.51798 491.3430       92.75972 502.0783       97.57907 390.6454       298.8532 129.2640 13.04998 110.5611 38.06456 18.70287       40.23944 
1 1 1 -1  20 34 o 233.2572 8.217867 1608.073       112.2446 1535.565       119.9015 2122.009       319.2162 227.7538 8.994211 262.6789 20.89295 -34.92511      22.74668 
1 1 1 -1  20 35 o 222.8846 8.280760 1470.100       108.0550 1489.789       116.3298 1346.284       291.7167 224.2263 8.863606 206.1145 24.61872 18.11176       26.16572 
1 1 1 -1  20 36 o 92.44007 16.60660 267.2283       86.72196 303.4608       90.71286 -117.5823      295.6262 98.77816 16.22134 69.41166 31.86911 29.36650       35.75992 
1 1 1 -1  20 37 o 260.9159 7.599356 2017.043       116.1622 2044.267       124.0313 1822.686       331.4009 262.5016 8.066113 237.2358 24.15554 25.26578       25.46669 
1 1 1 -1  20 38 o 102.4080 15.77885 328.1195       91.72829 337.5060       96.49732 240.1364       295.4362 103.6312 16.42426 90.05920 36.31983 13.57198       39.86084 
1 1 1 -1  20 39 o 142.0969 12.05746 613.5634       99.53477 570.9809       104.6264 1019.400       322.9990 136.5583 13.22941 166.0098 34.31030 -29.45140      36.77246 
1 1 1 -1  20 40 o 62.41363 21.61288 120.3854       96.40074 150.2523       101.3838 -161.2333      311.3178 67.99548 22.15416 66.02233 31.10083 1.973145       38.18466 
1 1 1 -1  20 41 o 121.1142 14.11207 456.8796       98.36314 477.8907       103.9374 276.6056       304.4482 123.6432 14.61568 89.26908 36.54615 34.37413       39.36038 
1 1 1 -1  20 42 o 212.8838 9.116059 1361.393       113.5517 1363.232       121.4370 1348.598       320.3412 212.6568 9.762957 192.3399 29.32450 20.31689       30.90698 
1 1 1 -1  20 43 o 142.4563 13.76476 633.3194       113.5701 673.5291       121.0278 336.8856       328.6123 146.6295 14.25350 91.37056 37.74614 55.25896       40.34766 
1 1 1 -1  20 44 f 87.51648 21.57953 266.6249       110.0508 308.5117       116.5113 -79.95921      335.1457 94.33493 21.53485 68.07940 32.13069 26.25553       38.67985 
1 1 1 -1  20 45 o 64.06179 23.16810 134.7591       111.7814 128.2116       117.8270 193.6955       353.5095 63.40993 23.64147 80.83485 36.19876 -17.42493      43.23505 
1 1 1 -1  20 46 o 126.7216 17.20191 526.5502       124.5453 546.7260       133.1095 384.7227       352.9182 128.3915 18.18594 90.65880 38.39323 37.73274       42.48257 
1 1 1 -1  20 47 o 94.30939 22.18932 317.4142       120.6672 267.8047       128.5631 684.4774       349.7070 84.85731 24.48263 112.2630 40.92376 -27.40573      47.68809 
1 1 1 -1  21 1  o 744.1531 13.33167 16281.11       581.8317 15679.69       768.4533 17089.06       890.6790 729.5012 17.96143 760.8970 19.97655 -31.39587      26.86403 
1 1 1 -1  21 2  o 511.8943 10.28424 7696.020       308.7473 7456.014       402.1674 8040.503       481.8157 503.3656 13.63556 522.4382 15.74314 -19.07260      20.82726 
1 1 1 -1  21 3  o 519.9318 10.30572 7939.875       314.2499 8129.345       437.6376 7738.193       451.5206 525.5270 14.21242 512.6021 15.03544 12.92487       20.68955 
1 1 1 -1  21 4  o 444.4090 9.435715 5799.478       245.9281 5690.738       320.5695 5955.012       383.3906 439.8234 12.44027 449.6657 14.55707 -9.842285      19.14859 
1 1 1 -1  21 5  o 253.6163 7.758744 1889.738       115.2678 1882.270       131.7160 1914.161       238.2061 253.0388 8.889474 254.4660 16.04312 -1.427200      18.34133 
1 1 1 -1  21 6  o 849.3451 12.06472 21205.74       600.9691 21200.38       733.1101 21216.73       1049.329 848.7284 14.72821 847.4280 21.11340 1.300354       25.74288 
1 1 1 -1  21 7  o 272.8346 7.174131 2186.323       114.6944 2261.260       134.7227 1988.984       218.6239 277.4009 8.290298 259.5656 14.41816 17.83527       16.63167 
1 1 1 -1  21 8  o 346.5515 7.147354 3525.106       145.2659 3565.555       173.4215 3429.981       265.9511 348.4658 8.485788 341.1832 13.31676 7.282593       15.79065 
1 1 1 -1  21 9  o 373.0292 7.213543 4084.641       157.8127 4176.837       190.7935 3884.932       280.8066 377.1320 8.626204 363.1183 13.20787 14.01370       15.77527 
1 1 1 -1  21 10 o 128.2943 11.43035 487.7874       85.10415 526.2646       105.0493 414.3085       145.1688 133.0127 13.66026 116.3984 22.07299 16.61433       25.95803 
1 1 1 -1  21 11 o 420.1282 7.990091 5183.342       196.8721 4909.066       282.9030 5440.893       274.1420 408.3424 11.82552 430.0388 10.87843 -21.69641      16.06808 
1 1 1 -1  21 12 o 263.4893 9.415514 2042.816       145.2643 2077.190       186.0128 1989.082       232.5680 265.4219 11.98055 259.2569 15.36459 6.164948       19.48343 
1 1 1 -1  21 13 o 383.8305 8.947945 4329.273       201.4250 4475.230       274.3700 4158.650       296.6485 389.7344 12.01812 375.4487 13.49422 14.28564       18.07013 
1 1 1 -1  21 14 o 370.1030 15.64522 4051.965       338.8238 0.000000       0.000000 4051.965       338.8238 ?        ?        370.1030 15.64522 0.000000       15.64522 
1 1 1 -1  21 15 o 42.40668 19.18703 -56.07281      102.2640 -33.70673      126.2376 -98.77120      174.4214 50.16544 22.09131 54.92916 24.93442 -4.763718      33.31293 
1 1 1 -1  21 16 o 662.1076 10.44053 12903.09       405.4168 12773.59       637.8577 12990.87       525.1339 656.7221 16.57444 663.5300 13.49457 -6.807922      21.37324 
1 1 1 -1  21 17 o 376.6982 8.679482 4172.681       191.7511 4332.634       260.9953 3985.082       282.6515 383.2547 11.62511 367.2436 13.14461 16.01117       17.54776 
1 1 1 -1  21 18 o 320.3002 7.209460 3014.590       135.4286 3009.779       206.1824 3018.241       179.6062 319.4186 11.02281 320.1010 9.577946 -0.6824646     14.60272 
1 1 1 -1  21 19 o 354.7357 7.290127 3698.353       151.6668 3696.743       234.5243 3699.511       198.8434 353.9206 11.31331 354.3744 9.576278 -0.4537659     14.82215 
1 1 1 -1  21 20 o 440.7491 8.105856 5713.645       209.5274 6015.796       345.7282 5538.243       263.4143 450.9786 13.08542 433.5177 10.36053 17.46094       16.69038 
1 1 1 -1  21 21 o 486.1157 7.904229 6950.428       225.3459 7145.793       329.3031 6778.371       309.0361 492.0967 11.41024 479.3866 10.99190 12.71017       15.84347 
1 1 1 -1  21 22 o 411.9843 7.440748 4991.054       179.7826 4957.896       256.0578 5023.293       252.4820 409.8772 10.66111 412.6267 10.44171 -2.749481      14.92276 
1 1 1 -1  21 23 o 240.6532 7.177643 1704.219       101.1902 1747.048       150.8692 1669.198       136.4273 243.1624 10.60472 237.8045 9.803083 5.357925       14.44162 
1 1 1 -1  21 24 o 382.2451 7.424677 4296.506       166.4447 4278.974       236.5450 4313.699       234.2486 380.7690 10.60290 382.3458 10.45630 -1.576752      14.89147 
1 1 1 -1  21 25 o 115.2063 19.04019 406.1434       124.1565 434.2480       143.6578 323.1925       246.8031 118.6279 21.43746 103.7906 34.60062 14.83731       40.70341 
1 1 1 -1  21 26 o 290.4435 10.92905 2492.186       185.8315 2677.181       230.6009 2149.517       313.8467 300.5619 13.11363 267.2766 20.17080 33.28528       24.05886 
1 1 1 -1  21 27 o 300.0962 7.535245 2650.535       132.5149 2797.728       146.5091 1988.582       310.6955 308.2326 8.111721 256.6613 20.81928 51.57135       22.34374 
1 1 1 -1  21 28 o 330.0114 7.040520 3202.908       136.2650 3221.621       148.1128 3099.779       347.7044 330.8897 7.632357 321.3959 18.52522 9.493774       20.03588 
1 1 1 -1  21 29 f 286.0405 7.057352 2406.961       118.3913 2332.189       126.1454 2959.675       342.9671 281.3809 7.651204 313.6450 18.73037 -32.26413      20.23284 
1 1 1 -1  21 30 o 102.8665 14.57209 321.0442       85.45359 342.3598       89.07495 74.77013       302.7726 106.2607 14.68546 84.75605 35.71016 21.50468       38.61189 
1 1 1 -1  21 31 o 204.7261 8.464375 1238.151       101.4100 1282.955       107.6479 884.8294       302.2984 208.3363 8.830309 164.6166 32.46612 43.71976       33.64555 
1 1 1 -1  21 32 f 54.64291 20.12781 73.71137       84.93833 118.8891       89.42741 -342.6917      271.4973 63.49263 20.81437 57.83988 27.74746 5.652748       34.68659 
1 1 1 -1  21 33 o 265.2488 7.688985 2076.497       119.4853 2063.071       129.0021 2157.547       316.9666 264.2405 8.334705 265.2625 20.53429 -1.021942      22.16132 
1 1 1 -1  21 34 o 128.5967 13.25502 499.1516       98.53748 526.4783       104.0696 262.4258       306.3046 131.9960 13.63975 97.40091 37.68723 34.59512       40.07954 
1 1 1 -1  21 35 o 298.8019 7.262188 2636.327       127.2628 2639.266       137.6207 2618.976       334.3662 298.6901 7.863034 290.9202 19.71381 7.769928       21.22408 
1 1 1 -1  21 36 o 195.1035 9.043160 1132.970       103.1936 1135.798       109.1922 1109.333       315.6861 195.1755 9.568453 179.7840 31.06317 15.39149       32.50348 
1 1 1 -1  21 37 o 272.4603 7.545921 2200.774       120.4613 2199.163       129.6226 2210.976       326.2180 272.1225 8.131170 263.3962 21.29930 8.726318       22.79859 
1 1 1 -1  21 38 o 77.77074 19.71396 197.9832       90.02177 185.9567       94.33696 320.4935       301.0909 75.20110 20.72592 96.13541 37.31911 -20.93431      42.68816 
1 1 1 -1  21 39 o 36.25290 17.21222 -106.2780      98.93893 -123.6221      104.5093 43.53385       307.1511 36.43907 17.40927 75.92726 33.88967 -39.48819      38.09977 
1 1 1 -1  21 40 o 110.2244 22.18382 409.3263       138.4353 536.7231       154.1871 -120.3516      314.3943 127.1085 21.44583 67.39809 31.59259 59.71039       38.18396 
1 1 1 -1  21 41 o 118.4082 14.39707 438.7992       97.92622 410.6874       103.2105 692.4346       310.0162 113.7346 15.90771 127.0616 38.37962 -13.32697      41.54577 
1 1 1 -1  21 42 o 52.31677 21.12323 58.16269       100.0581 57.21501       105.6136 66.46626       312.6237 53.01133 21.59227 74.49459 33.64131 -21.48326      39.97454 
1 1 1 -1  21 43 o 115.1627 16.35197 427.1408       107.3406 413.7962       113.8663 533.6544       321.6948 112.3816 17.87422 106.4432 39.17760 5.938477       43.06242 
1 1 1 -1  21 44 o 58.45975 22.70053 96.27592       111.4315 118.6898       117.4137 -107.0198      353.6099 62.14181 23.50810 68.10839 32.39479 -5.966583      40.02566 
1 1 1 -1  21 45 o 76.97121 23.73813 214.4835       117.7924 275.9636       123.9999 -353.8624      377.0165 87.16502 23.65686 61.57521 30.24120 25.58982       38.39502 
1 1 1 -1  21 46 o 45.24754 20.90207 -56.01543      129.9437 -67.66949      136.7190 52.90180       417.9637 45.60410 21.19578 75.95744 35.85876 -30.35335      41.65467 
1 1 1 -1  22 1  o 667.5893 12.24046 13104.23       479.2450 12846.76       643.8623 13424.08       717.6327 660.0367 16.64643 674.3564 18.16175 -14.31976      24.63641 
1 1 1 -1  22 2  o 636.9373 11.81782 11926.67       441.4531 11361.02       570.2665 12772.53       697.3517 620.8560 15.67414 657.7697 18.09424 -36.91376      23.93909 
1 1 1 -1  22 3  o 763.7982 13.57268 17165.78       607.9876 17162.78       846.4731 17168.99       873.8279 762.5018 18.92874 762.2228 19.56377 0.2789917      27.22202 
1 1 1 -1  22 4  o 394.6451 9.206758 4574.404       213.0904 4534.876       274.9675 4633.837       337.1668 392.5386 11.95791 396.4625 14.52536 -3.923889      18.81430 
1 1 1 -1  22 5  o 465.9340 7.772918 6373.583       212.4022 6337.633       250.9495 6464.390       398.8348 464.5069 9.211782 468.3269 14.53850 -3.820007      17.21119 
1 1 1 -1  22 6  o 238.3420 7.626115 1669.466       106.4621 1744.424       124.6004 1466.755       204.9043 243.5572 8.737199 222.5334 15.80302 21.02379       18.05752 
1 1 1 -1  22 7  o 493.7367 7.959402 7158.046       230.4763 7156.809       277.1974 7160.816       414.8267 493.5458 9.576596 492.8797 14.36610 0.6660461      17.26546 
1 1 1 -1  22 8  o 266.0710 7.199244 2079.856       112.2369 2153.501       131.6095 1883.469       214.9170 270.6613 8.300880 252.4248 14.57941 18.23653       16.77688 
1 1 1 -1  22 9  o 86.65748 16.87951 229.1864       82.70042 205.0590       93.27077 317.9010       178.8495 81.63874 19.70663 101.7571 28.72136 -20.11835      34.83200 
1 1 1 -1  22 10 o 272.9769 7.932675 2190.374       126.8631 2226.247       179.6971 2154.728       179.1272 274.8824 11.16990 270.4062 11.32025 4.476227       15.90329 
1 1 1 -1  22 11 o 284.7373 6.610175 2380.218       110.3844 2397.059       137.7828 2350.039       184.4457 285.5327 8.236499 282.4036 11.15844 3.129028       13.86906 
1 1 1 -1  22 12 o 214.3537 8.139499 1351.859       102.1385 1389.949       119.1596 1246.366       198.3060 217.2402 9.374795 204.6871 16.66346 12.55310       19.11956 
1 1 1 -1  22 13 o 231.4152 16.22927 1590.771       218.8665 0.000000       0.000000 1590.771       218.8665 ?        ?        231.4152 16.22927 0.000000       16.22927 
1 1 1 -1  22 14 o 304.7896 8.672051 2733.144       154.8570 2572.667       188.3638 3067.777       272.0037 295.4126 10.89085 322.0056 14.44000 -26.59305      18.08657 
1 1 1 -1  22 15 o 457.0717 8.464390 6141.986       226.8979 6400.767       362.8282 5975.788       290.7690 465.5348 13.30283 450.4447 11.00668 15.09012       17.26592 
1 1 1 -1  22 16 o 270.9126 8.952035 2161.141       142.0380 2320.659       189.0715 1954.488       215.1997 280.3692 11.52316 256.7658 14.34778 23.60342       18.40223 
1 1 1 -1  22 17 f 32.82869 16.04369 -192.1016      102.1966 -82.19767      121.4824 -458.1879      189.0245 44.79621 20.51596 40.90260 20.32616 3.893612       28.88005 
1 1 1 -1  22 18 o 389.5873 7.680290 4462.239       175.4821 4628.496       277.7375 4351.767       226.3967 395.8701 11.97653 384.2509 10.05491 11.61923       15.63772 
1 1 1 -1  22 19 o 237.6788 7.265676 1662.190       101.1595 1687.286       157.0776 1644.405       132.2317 238.9058 11.24234 236.1076 9.569208 2.798233       14.76347 
1 1 1 -1  22 20 o 123.3312 9.708558 450.8192       69.65697 291.6360       120.4955 530.7162       85.36657 96.77367 21.76039 133.6945 10.98418 -36.92078      24.37553 
1 1 1 -1  22 21 o 148.5928 8.960873 652.4269       77.72771 626.5378       145.7883 662.7087       91.87479 144.0241 17.62682 149.5470 10.54291 -5.522903      20.53918 
1 1 1 -1  22 22 o 327.7133 7.688836 3158.770       147.7764 3250.109       236.0499 3099.899       189.5075 331.4510 12.16386 324.1601 9.980079 7.290863       15.73409 
1 1 1 -1  22 23 o 282.7279 7.388476 2352.078       122.4057 2420.205       185.6171 2299.653       162.8285 286.1872 11.07997 279.1642 9.961322 7.023041       14.89945 
1 1 1 -1  22 24 o 52.80455 22.95419 -17.12726      132.4571 86.72622       152.9790 -328.1883      264.7550 67.57421 26.49439 58.26370 27.80130 9.310513       38.40397 
1 1 1 -1  22 25 o 161.5262 14.60883 779.4985       136.8967 682.8325       155.8765 1105.513       286.2610 150.3325 18.03970 189.1638 26.53163 -38.83125      32.08361 
1 1 1 -1  22 26 o 70.36024 17.45650 153.2837       71.68693 211.6765       74.21088 -661.6254      277.2314 83.07708 15.80866 49.37041 24.54783 33.70667       29.19777 
1 1 1 -1  22 27 o 184.0661 8.556052 999.8959       92.11024 989.7454       96.95677 1093.881       295.0274 183.0565 9.059285 187.2346 27.70238 -4.178116      29.14605 
1 1 1 -1  22 28 o 174.8391 9.285753 903.8302       94.87373 879.9133       100.1425 1113.345       296.3967 172.3986 9.946771 188.6180 27.61184 -16.21944      29.34880 
1 1 1 -1  22 29 o 206.1034 8.489771 1254.223       102.4002 1238.131       108.8144 1378.770       302.7288 204.6724 9.087845 210.8703 24.96218 -6.197830      26.56500 
1 1 1 -1  22 30 o 99.98000 15.05122 304.6191       85.51984 368.2479       89.60136 -346.4499      286.6167 110.3308 14.17444 60.07709 28.73740 50.25375       32.04298 
1 1 1 -1  22 31 o 142.1662 10.64448 601.6246       88.10627 617.7889       92.53342 444.7199       288.2947 143.9932 11.04160 116.1498 37.31887 27.84341       38.91806 
1 1 1 -1  22 32 o 141.6020 11.32513 598.6528       93.26754 595.6428       97.97212 627.7552       304.6375 141.1011 11.95150 135.3805 37.21834 5.720520       39.09019 
1 1 1 -1  22 33 o 154.4597 10.95683 711.9383       98.61026 672.1364       103.7935 1080.855       315.9966 149.8206 11.91064 181.2544 30.82930 -31.43375      33.05010 
1 1 1 -1  22 34 o 91.78804 16.90627 263.1711       87.65659 266.5360       91.64120 226.9809       300.5352 92.17724 17.59344 93.00687 36.92640 -0.8296356     40.90340 
1 1 1 -1  22 35 o 75.54128 19.12738 183.0798       84.81140 188.8434       88.10674 110.3254       313.0355 76.64072 19.54407 83.91004 35.86769 -7.269318      40.84681 
1 1 1 -1  22 36 o 126.2659 12.67655 485.0035       92.60378 497.1249       97.49994 373.3265       295.9442 127.6528 13.21423 102.4126 37.59664 25.24024       39.85126 
1 1 1 -1  22 37 o 184.7681 9.483242 1021.106       102.4186 1056.024       108.9033 753.8160       301.3034 187.7339 9.926450 140.8102 36.26563 46.92366       37.59961 
1 1 1 -1  22 38 o 203.1237 8.880558 1232.214       105.5360 1282.101       112.3231 856.4327       308.2771 207.0331 9.274328 149.9041 35.59826 57.12901       36.78653 
1 1 1 -1  22 39 o 64.76721 21.73618 133.9947       97.37589 120.1647       102.3818 265.1375       315.2703 62.68826 22.23058 89.78027 37.01896 -27.09201      43.18104 
1 1 1 -1  22 40 o 116.5024 14.97641 426.5486       99.96347 388.8763       105.4105 763.0573       315.0440 110.2187 16.84075 134.6290 38.16059 -24.41026      41.71141 
1 1 1 -1  22 41 o 62.79165 23.91103 114.5782       121.9590 93.33231       130.7463 256.8879       338.3837 60.88407 24.29570 87.39719 37.32317 -26.51312      44.53426 
1 1 1 -1  22 42 o 86.57837 21.31679 258.4091       107.5053 268.2144       112.9352 163.7352       350.9266 87.86282 21.97497 81.00524 36.18555 6.857574       42.33549 
1 1 1 -1  22 43 o 68.95065 22.88049 163.9024       107.9501 187.7247       115.1273 -9.486729      310.5965 72.99909 23.59462 69.13463 32.06872 3.864464       39.81342 
1 1 1 -1  22 44 o 41.76402 19.32934 -59.40980      111.8986 -71.14528      117.4274 56.48513       369.0211 41.98874 19.55862 74.85299 34.80108 -32.86425      39.92061 
1 1 1 -1  22 45 o 86.91445 24.00843 276.9582       126.4246 337.3759       132.6028 -326.4562      419.0621 96.44589 23.63171 64.97278 31.90441 31.47311       39.70327 
1 1 1 -1  22 46 o 110.6707 21.33850 428.3201       133.4788 418.0423       139.3822 541.9995       463.5530 108.1538 22.69903 95.88174 42.27374 12.27202       47.98245 
1 1 1 -1  23 1  o 132.9400 10.74450 522.9051       83.05759 460.0930       95.68980 714.8084       167.2574 124.3160 13.33271 154.4156 18.85993 -30.09961      23.09671 
1 1 1 -1  23 2  o 176.1361 11.74270 916.5062       120.6089 978.8083       140.0874 738.0330       237.1011 181.8768 13.22354 155.2701 27.01802 26.60680       30.08049 
1 1 1 -1  23 3  o 55.15805 20.28821 71.43686       86.24593 102.1609       93.92516 -93.74142      217.7806 61.74270 21.33587 63.34091 28.38484 -1.598213      35.50941 
1 1 1 -1  23 4  o 330.5052 8.932458 3211.300       172.9822 3420.918       225.2494 2909.952       270.0739 340.8764 11.28275 313.9037 14.71111 26.97263       18.53961 
1 1 1 -1  23 5  o 74.76735 18.68612 171.7211       81.70348 178.5362       89.33564 136.8704       202.0198 76.27054 19.80023 80.52537 30.74761 -4.254829      36.57137 
1 1 1 -1  23 6  o 236.1425 7.208024 1638.769       99.70847 1628.200       113.2517 1675.198       210.2651 235.3018 8.219326 237.8794 15.15035 -2.577606      17.23631 
1 1 1 -1  23 7  o 219.7075 7.564512 1419.223       97.32581 1492.681       113.0141 1208.361       191.4748 225.2464 8.570723 201.6708 16.32846 23.57553       18.44114 
1 1 1 -1  23 8  o 350.4143 6.905885 3605.242       141.9226 3758.445       172.3804 3282.895       250.0441 357.6880 8.217370 333.6256 12.80305 24.06241       15.21326 
1 1 1 -1  23 9  o 155.1268 9.569763 710.1417       86.64016 705.3928       98.63387 726.1837       181.2848 154.4529 10.95998 155.1774 20.41432 -0.7245789     23.17036 
1 1 1 -1  23 10 o 459.9197 7.058648 6211.957       190.3944 6208.569       245.9310 6217.024       300.7962 459.5659 9.124623 459.5971 11.15950 -0.3118896E-01 14.41503 
1 1 1 -1  23 11 o 177.5050 8.249939 927.9131       85.64898 890.4157       103.6421 1008.676       152.1039 173.6706 10.22077 184.3465 14.17756 -10.67587      17.47762 
1 1 1 -1  23 12 o 249.1918 7.719537 1826.316       112.6812 1871.632       133.2464 1712.548       211.1239 252.1317 9.025654 240.2840 15.05743 11.84766       17.55530 
1 1 1 -1  23 13 o 528.7239 8.476012 8218.625       262.8276 8171.424       315.2487 8326.221       475.9691 526.8989 10.20177 530.4122 15.31686 -3.513245      18.40332 
1 1 1 -1  23 14 o 64.12256 22.16567 111.6608       101.3765 229.5679       115.7991 -275.2052      209.7565 86.09190 22.63818 51.60075 24.65594 34.49115       33.47242 
1 1 1 -1  23 15 o 304.6722 7.651557 2730.125       136.6122 2720.370       204.8854 2737.934       183.3081 303.5533 11.52964 304.7446 10.27108 -1.191315      15.44110 
1 1 1 -1  23 16 o 63.05951 22.71890 100.9942       107.3634 91.06921       128.3316 124.1431       195.9904 64.62608 24.54708 77.73284 30.12746 -13.10676      38.86159 
1 1 1 -1  23 17 o 528.3174 10.40540 8225.377       322.4068 8471.993       456.5090 7979.961       455.3973 534.7225 14.57053 518.7969 14.98296 15.92566       20.89951 
1 1 1 -1  23 18 o 56.96358 18.35188 94.26662       69.68520 84.55740       131.3612 98.06898       82.20560 64.11376 24.71422 59.18116 19.97195 4.932602       31.77533 
1 1 1 -1  23 19 o 261.0433 7.414421 2005.294       113.3966 2189.710       181.3158 1886.823       145.3250 272.1554 11.38487 252.8690 9.817941 19.28645       15.03354 
1 1 1 -1  23 20 o 145.3694 9.297058 624.9066       78.84727 512.4078       130.1716 690.1013       99.09427 130.0698 17.50858 152.5264 11.15492 -22.45654      20.76012 
1 1 1 -1  23 21 f 218.4832 7.824822 1405.926       100.1016 1344.221       154.6740 1450.396       131.3085 212.9101 12.44134 221.5916 10.13070 -8.681488      16.04425 
1 1 1 -1  23 22 o 334.4905 8.014071 3291.533       157.2126 3535.648       255.9117 3143.563       199.2419 345.6130 12.64685 326.3565 10.42306 19.25650       16.38850 
1 1 1 -1  23 23 o 177.0365 9.358804 925.6545       96.82517 959.1575       186.5582 913.3026       113.2763 178.5322 18.06588 175.6005 11.05536 2.931747       21.18010 
1 1 1 -1  23 24 o 206.4873 8.650148 1257.261       104.5212 1572.015       189.3350 1119.293       125.3530 229.9438 14.10764 194.4570 11.03691 35.48686       17.91198 
1 1 1 -1  23 25 o 187.1852 13.23956 1042.200       144.4057 1091.944       168.5338 904.8185       280.0787 191.2114 15.15254 169.7150 29.19142 21.49641       32.88979 
1 1 1 -1  23 26 o 211.7905 7.935160 1322.038       98.38840 1358.471       105.0119 1060.254       281.4904 214.6338 8.358356 184.6265 26.77729 30.00726       28.05148 
1 1 1 -1  23 27 o 99.07078 14.44942 297.5117       81.48419 310.9991       84.71227 130.5923       298.0142 101.2814 14.68974 88.88608 36.24590 12.39536       39.10951 
1 1 1 -1  23 28 o 249.2484 7.385833 1830.493       107.8458 1890.926       114.8525 1380.049       313.5638 253.2736 7.741236 210.5380 25.94284 42.73553       27.07319 
1 1 1 -1  23 29 o 292.2493 7.196301 2514.744       123.3427 2588.156       133.2854 2077.030       325.4555 296.3037 7.676456 260.6648 21.47961 35.63885       22.81012 
1 1 1 -1  23 30 o 177.6900 8.969444 934.4862       93.16915 941.2499       98.00863 871.0270       300.2053 178.2513 9.408527 162.9015 32.56186 15.34984       33.89388 
1 1 1 -1  23 31 o 333.6330 7.329549 3280.181       143.4157 3405.508       157.8576 2687.724       343.2181 339.8068 7.921053 296.8427 19.82854 42.96411       21.35215 
1 1 1 -1  23 32 o 108.9988 14.53661 361.8615       90.61096 336.3179       94.39256 661.6318       323.3634 104.6426 15.87877 137.4171 38.56089 -32.77453      41.70225 
1 1 1 -1  23 33 f 26.48274 13.18635 -202.1041      81.15496 -188.5198      84.06128 -388.4293      311.3244 27.92010 13.81849 60.74871 29.28819 -32.82861      32.38439 
1 1 1 -1  23 34 o 29.87494 14.51805 -133.6913      80.44196 -145.5761      83.30666 30.25516       309.4103 29.95395 14.60522 78.79015 34.64515 -48.83619      37.59786 
1 1 1 -1  23 35 o 71.87238 20.04408 166.9182       87.65932 147.7639       91.74454 367.7433       297.0675 68.07539 20.94171 102.2215 37.64394 -34.14616      43.07693 
1 1 1 -1  23 36 o 176.7731 9.850315 935.9056       101.7176 970.2985       107.5449 644.0949       313.2610 179.8515 10.23818 128.1943 38.54875 51.65717       39.88516 
1 1 1 -1  23 37 f 172.8258 10.29218 897.8884       103.8472 858.4138       109.6728 1240.130       322.9282 168.6112 11.15346 187.4804 30.41071 -18.86923      32.39153 
1 1 1 -1  23 38 o 215.9220 9.105617 1395.383       115.0484 1456.146       122.7903 958.5898       329.2167 220.3729 9.523169 156.5022 36.53576 63.87068       37.75649 
1 1 1 -1  23 39 f 95.70955 18.70688 300.1211       101.2388 278.5157       106.6689 496.2649       321.3987 91.25028 20.44061 107.5444 39.22805 -16.29411      44.23413 
1 1 1 -1  23 40 o 123.4698 14.50592 477.8427       103.0391 489.2494       108.0777 363.9930       341.4455 124.6285 15.09380 95.09604 38.79007 29.53251       41.62321 
1 1 1 -1  23 41 o 108.3856 17.26822 381.3825       106.0866 408.9433       111.5002 118.0579       344.6480 112.1448 17.52620 78.73612 35.46057 33.40871       39.55527 
1 1 1 -1  23 42 f 146.1200 13.48793 666.8114       114.2823 721.6309       121.0005 213.8634       347.8115 151.8810 13.73239 82.75151 36.54557 69.12946       39.04046 
1 1 1 -1  23 43 o 110.4206 18.71137 406.1680       116.8508 400.5140       124.4154 448.4669       340.3005 108.5282 20.29291 96.92784 39.01877 11.60035       43.98030 
1 1 1 -1  23 44 o 44.56166 20.44105 -45.12088      121.2445 -84.71221      127.0470 358.8490       405.8249 42.77008 20.05941 89.04661 39.39380 -46.27653      44.20692 
1 1 1 -1  23 45 o 147.4772 15.74590 700.9206       134.0848 693.4795       140.0923 782.1425       462.8399 145.9155 16.66924 110.0869 45.06400 35.82857       48.04818 
1 1 1 -1  24 1  o 165.1610 11.34088 806.3275       109.1844 802.1124       125.5597 819.3998       221.1157 164.5041 13.12309 164.3706 23.61452 0.1334381      27.01593 
1 1 1 -1  24 2  o 113.5173 12.87103 384.3229       84.17869 382.2183       90.90489 396.9867       222.9882 113.0257 14.01384 113.2909 32.10229 -0.2651443     35.02777 
1 1 1 -1  24 3  o 155.6440 12.22790 717.5588       110.7224 823.9727       128.2326 405.7672       219.4984 166.7214 13.22286 114.3445 31.65368 52.37697       34.30451 
1 1 1 -1  24 4  o 337.4713 8.672898 3348.683       171.5108 3399.886       220.9722 3271.095       272.0106 339.7500 11.10482 332.8147 13.96687 6.935272       17.84350 
1 1 1 -1  24 5  o 99.41908 14.39235 297.4686       81.47910 277.4612       89.29977 396.9187       199.0938 95.57031 16.53024 112.9081 29.68084 -17.33781      33.97353 
1 1 1 -1  24 6  o 161.3783 9.002288 767.8476       84.86409 793.3331       95.75517 674.5423       183.2182 163.9399 10.00693 149.1867 21.56557 14.75316       23.77420 
1 1 1 -1  24 7  o 401.5705 7.242258 4736.255       170.5636 4997.498       211.9339 4255.971       287.3611 412.3446 8.763741 379.7910 12.92009 32.55362       15.61192 
1 1 1 -1  24 8  o 327.8787 11.62121 3169.874       223.1145 3169.874       223.1145 0.000000       0.000000 327.8787 11.62121 ?        ?        0.000000       11.62121 
1 1 1 -1  24 9  o 127.4383 11.36980 482.0323       84.08586 565.9606       94.91436 175.8836       181.2775 138.1055 11.83237 82.32349 29.53826 55.78201       31.82002 
1 1 1 -1  24 10 o 132.1888 10.26288 517.3513       78.94072 515.3791       91.06390 523.3143       158.3466 131.7153 11.91734 130.9397 21.35526 0.7756195      24.45547 
1 1 1 -1  24 11 o 620.6738 8.717308 11328.18       317.3192 11654.59       428.3578 10931.22       472.3791 628.8732 11.61430 608.5959 13.23461 20.27728       17.60815 
1 1 1 -1  24 12 o 404.3636 7.496600 4805.109       177.7816 5036.043       219.4379 4363.995       303.2796 413.7632 9.042929 384.1999 13.48059 29.56329       16.23271 
1 1 1 -1  24 13 o 561.1387 8.022676 9257.456       264.0220 9323.924       350.8941 9170.720       400.8373 562.5961 10.63479 557.5372 12.25868 5.058899       16.22880 
1 1 1 -1  24 14 f 246.3680 7.750854 1786.168       111.8520 1859.765       128.9332 1562.296       224.8716 251.2757 8.762515 228.8402 16.87397 22.43550       19.01348 
1 1 1 -1  24 15 o 50.84945 21.25717 16.29926       105.9943 33.89120       126.8332 -24.43588      193.0015 57.13845 23.51172 63.51297 27.65733 -6.374523      36.30054 
1 1 1 -1  24 16 o 368.6493 9.163960 4001.085       198.1286 4168.732       268.1048 3799.370       294.0864 375.5261 12.18960 358.0135 14.03353 17.51263       18.58834 
1 1 1 -1  24 17 o 152.0263 10.33539 684.3751       91.60220 701.5676       149.6616 674.0762       115.8334 152.6967 16.99998 150.3989 13.26815 2.297806       21.56486 
1 1 1 -1  24 18 o 274.5726 7.926158 2219.598       127.5016 2394.862       203.2700 2105.912       163.7122 284.4487 12.21326 267.0409 10.47359 17.40784       16.08912 
1 1 1 -1  24 19 o 344.1968 7.658467 3484.462       154.5963 3694.020       242.4962 3340.972       200.6615 353.4986 11.71297 336.4982 10.17959 17.00040       15.51830 
1 1 1 -1  24 20 o 228.1303 8.036923 1533.016       107.3604 1705.256       170.9583 1420.856       137.9564 239.9391 12.18888 219.2168 10.76335 20.72231       16.26095 
1 1 1 -1  24 21 o 181.4327 8.931797 971.4841       94.74754 992.4832       156.3747 959.3032       119.0983 182.3976 14.74386 179.9361 11.34365 2.461502       18.60269 
1 1 1 -1  24 22 o 143.1667 10.41062 607.4584       86.81427 718.0351       160.3902 561.6387       103.2459 154.2167 18.07623 137.2158 12.98420 17.00090       22.25623 
1 1 1 -1  24 23 o 79.35130 27.00662 179.5263       150.3367 242.1979       180.2664 36.37604       272.4429 90.14852 29.55184 79.50841 33.70480 10.64011       44.82549 
1 1 1 -1  24 24 o 324.3437 8.192905 3098.110       155.7206 3144.951       251.7691 3069.089       198.1732 325.6782 13.20886 322.3773 10.49565 3.300873       16.87106 
1 1 1 -1  24 25 o 210.8846 13.41524 1323.202       165.0579 1320.981       198.1817 1328.230       298.2178 210.0127 16.21593 207.6830 24.98521 2.329712       29.78619 
1 1 1 -1  24 26 o 103.3759 24.35481 337.6665       145.2137 349.3468       167.7605 302.7625       290.0011 104.7507 27.10280 103.1507 37.31522 1.599968       46.11928 
1 1 1 -1  24 27 o 201.8530 8.230068 1202.623       97.22488 1213.346       102.3332 1103.192       311.6180 202.6871 8.628483 186.3268 29.49764 16.36032       30.73372 
1 1 1 -1  24 28 o 61.74862 19.81408 113.1906       81.28815 150.2932       84.31656 -375.6538      306.0527 69.58841 19.74747 61.72849 29.57247 7.859921       35.55971 
1 1 1 -1  24 29 o 46.48067 19.10640 23.86747       83.64444 62.80787       87.99378 -341.0854      269.3830 53.33255 20.31002 57.62515 27.64307 -4.292606      34.30213 
1 1 1 -1  24 30 o 179.1591 9.172364 950.8910       96.05562 973.5020       102.1895 779.3277       281.4875 181.1842 9.651733 153.5531 32.28337 27.63110       33.69528 
1 1 1 -1  24 31 o 226.8772 8.462439 1522.599       112.4023 1496.265       120.4769 1699.539       312.2860 224.7367 9.159896 233.4525 23.11187 -8.715805      24.86086 
1 1 1 -1  24 32 o 207.4129 8.366935 1274.007       101.5688 1301.605       108.4287 1076.376       290.1606 209.5311 8.843472 181.7157 28.13527 27.81544       29.49238 
1 1 1 -1  24 33 o 212.7449 8.032872 1341.288       100.0460 1362.448       106.3972 1179.759       293.9692 214.2897 8.482759 189.4908 27.23366 24.79893       28.52419 
1 1 1 -1  24 34 o 102.2307 15.25290 324.3957       88.65624 301.0338       92.37344 597.2684       315.6993 97.89322 16.68746 125.1401 38.90721 -27.24690      42.33488 
1 1 1 -1  24 35 o 49.85335 19.75991 49.70238       85.92118 56.78161       89.33153 -37.74007      313.9592 51.53477 20.23398 73.60671 33.42871 -22.07195      39.07547 
1 1 1 -1  24 36 o 48.18784 19.69955 36.42195       88.30171 55.00105       91.89379 -187.3848      318.9411 51.52377 20.43095 66.60711 31.40790 -15.08334      37.46838 
1 1 1 -1  24 37 o 102.8152 17.04797 336.9935       99.19804 316.8995       104.0594 537.1048       328.3850 98.90508 18.62268 113.6121 39.85484 -14.70706      43.99105 
1 1 1 -1  24 38 o 134.3761 13.29393 557.4137       103.3959 565.1032       108.7284 484.7383       334.2620 134.9804 13.93486 106.4759 39.79522 28.50446       42.16444 
1 1 1 -1  24 39 o 160.2358 11.40657 782.4792       106.4918 819.8043       112.8033 476.6554       322.8920 163.8033 11.82170 104.7446 39.11970 59.05868       40.86690 
1 1 1 -1  24 40 o 181.0651 10.52622 995.1327       111.2964 980.8649       116.3731 1148.042       380.9699 179.4106 11.11454 161.0544 40.40614 18.35625       41.90691 
1 1 1 -1  24 41 f 98.27300 19.14538 322.8825       106.3757 280.0457       110.8962 816.4075       376.4113 90.07713 21.32453 127.1598 42.73605 -37.08268      47.76092 
1 1 1 -1  24 42 o 110.1357 18.28230 401.5839       113.9503 411.3710       120.6685 320.9596       346.3377 110.8235 19.26464 88.40771 37.75713 22.41574       42.38782 
1 1 1 -1  24 43 o 123.1439 17.42020 497.9908       122.3016 489.5299       128.3471 581.5085       403.2462 121.1637 18.65991 102.5393 42.02871 18.62448       45.98483 
1 1 1 -1  24 44 o 47.03874 21.29940 -24.67403      126.3138 38.62508       131.6712 -755.3913      447.3698 53.59498 23.09123 58.23446 29.27835 -4.639484      37.28842 
1 1 1 -1  25 1  o 413.6961 9.383245 5032.518       227.6591 5165.066       300.8145 4854.823       348.2963 418.5216 12.26873 405.2572 14.67863 13.26437       19.13071 
1 1 1 -1  25 2  o 217.7319 8.217812 1395.111       104.7487 1482.125       116.2787 1020.478       241.2743 224.3660 8.854136 183.6824 22.89267 40.68362       24.54526 
1 1 1 -1  25 3  o 530.2252 10.46564 8273.188       325.4445 8315.352       437.2329 8220.808       487.3275 530.6406 14.06193 527.1334 15.78117 3.507141       21.13725 
1 1 1 -1  25 4  o 543.8878 10.61568 8706.522       338.6163 9006.061       476.0985 8399.891       481.7021 552.0342 14.71865 532.9141 15.42866 19.12006       21.32328 
1 1 1 -1  25 5  o 373.3792 8.900125 4099.001       194.8932 4175.808       255.6466 3992.417       301.1514 376.3360 11.59664 367.5122 13.99772 8.823822       18.17741 
1 1 1 -1  25 6  o 30.51185 14.74077 -127.2924      79.85721 -128.2876      88.30419 -122.8243      187.1033 32.88308 15.78794 55.68053 25.48586 -22.79744      29.97980 
1 1 1 -1  25 7  o 402.6322 7.253520 4762.714       171.2805 4862.268       204.6791 4530.115       312.8575 406.6658 8.581938 391.5115 13.64634 15.15427       16.12055 
1 1 1 -1  25 8  o 153.9048 9.479991 699.5103       85.15260 643.9283       94.52190 938.9172       196.1705 147.4509 11.00984 176.7325 19.23639 -29.28159      22.16428 
1 1 1 -1  25 9  o 60.12489 20.13890 101.4902       83.59445 83.96615       93.78902 169.2087       184.3692 58.34945 21.20482 81.65278 29.72211 -23.30333      36.51093 
1 1 1 -1  25 10 o 499.0691 9.002242 7327.229       263.4886 6961.368       377.9430 7673.213       367.5334 485.3531 13.29006 510.0092 12.28764 -24.65601      18.10004 
1 1 1 -1  25 11 o 188.0766 8.544557 1042.526       94.00240 1126.082       111.0428 831.2133       176.5893 195.3424 9.723235 166.2266 18.42290 29.11577       20.83133 
1 1 1 -1  25 12 o 193.6544 8.164383 1104.812       92.51790 1102.377       112.7391 1109.833       161.9003 193.2196 9.982700 193.1601 14.39506 0.5950928E-01  17.51777 
1 1 1 -1  25 13 f 197.7602 8.670365 1152.941       100.3159 1263.246       112.8086 736.0261       219.3145 206.9391 9.318908 154.4291 25.07446 52.51003       26.75015 
1 1 1 -1  25 14 o 324.4853 9.145015 3102.243       173.8588 3357.177       233.8346 2787.097       259.9864 337.0303 11.84855 306.4307 14.50785 30.59961       18.73141 
1 1 1 -1  25 15 o 109.4165 18.99198 366.9872       117.4541 451.2495       143.3716 195.0280       204.8138 121.1363 20.93793 86.27444 31.33816 34.86187       37.68922 
1 1 1 -1  25 16 o 393.3898 10.52658 4566.615       242.6444 4848.053       331.2594 4240.796       356.4228 404.3781 13.98893 377.4842 16.13687 26.89395       21.35624 
1 1 1 -1  25 17 f 151.9826 14.82427 691.1967       130.4573 822.9446       159.1351 421.2062       227.8076 165.5659 16.61294 115.0770 32.39194 50.48883       36.40367 
1 1 1 -1  25 18 o 289.0857 8.098838 2460.751       137.1740 2339.316       208.0745 2554.100       182.4315 281.0161 12.65766 294.0948 10.59430 -13.07870      16.50622 
1 1 1 -1  25 19 o 315.1448 9.068414 2926.917       167.4326 2853.656       217.1108 3034.427       263.0063 310.6036 11.94082 319.7778 14.05821 -9.174164      18.44495 
1 1 1 -1  25 20 o 106.0624 13.62325 338.2552       82.78627 376.3860       150.3713 321.6711       99.16839 109.6856 24.04065 102.6739 17.06781 7.011749       29.48326 
1 1 1 -1  25 21 o 295.1461 8.081396 2564.808       139.7543 2869.189       232.7251 2393.136       174.7768 311.2585 12.77602 284.6920 10.48578 26.56650       16.52811 
1 1 1 -1  25 22 o 190.0818 9.125588 1066.548       101.4335 1169.826       175.3114 1014.576       124.3639 197.9715 15.21595 185.0143 11.51857 12.95726       19.08409 
1 1 1 -1  25 23 o 313.6425 7.996024 2896.783       146.9621 2968.016       230.4547 2847.961       190.7902 316.5417 12.43799 310.5162 10.49169 6.025513       16.27204 
1 1 1 -1  25 24 o 137.1463 10.94913 559.0118       87.33644 485.2758       186.6870 579.6710       98.81675 123.8710 26.49909 139.4521 12.20536 -15.58112      29.17486 
1 1 1 -1  25 25 o 120.9201 23.29177 457.5748       159.1866 650.1135       188.2663 -25.31106      298.1507 144.8297 22.92738 77.98283 34.15786 66.84689       41.13908 
1 1 1 -1  25 26 o 194.7678 9.263783 1121.884       105.5138 1182.564       205.2915 1100.100       123.0041 197.7524 17.89451 192.5417 10.93791 5.210709       20.97263 
1 1 1 -1  25 27 o 204.9127 8.148870 1239.698       97.73495 1241.099       102.4262 1225.446       326.6827 204.9605 8.539707 196.1550 29.29350 8.805511       30.51287 
1 1 1 -1  25 28 o 151.9075 10.19930 685.6359       90.33913 696.9983       94.35571 560.6350       312.9601 153.0924 10.57403 128.6366 38.49554 24.45576       39.92138 
1 1 1 -1  25 29 o 60.15158 19.97449 105.4908       82.26691 124.5826       85.30497 -148.3154      311.0290 64.20719 20.26302 71.66798 32.82450 -7.460785      38.57509 
1 1 1 -1  25 30 o 182.7299 9.336975 990.4116       99.72961 951.9379       104.7732 1361.413       325.3540 178.9806 10.02147 206.1548 27.60291 -27.17418      29.36581 
1 1 1 -1  25 31 o 219.2797 8.054681 1422.618       103.4091 1463.576       109.3544 1076.379       317.9492 222.3317 8.401690 179.7503 31.29688 42.58134       32.40499 
1 1 1 -1  25 32 o 141.5540 10.72377 600.3456       88.36436 594.5084       92.56497 660.3163       296.6968 140.6922 11.31359 135.2666 36.54330 5.425583       38.25454 
1 1 1 -1  25 33 o 157.9961 9.938129 746.6685       91.62119 750.1701       95.98267 710.7446       307.4330 158.2202 10.40149 138.1098 37.14989 20.11043       38.57856 
1 1 1 -1  25 34 o 74.69076 19.72399 181.4895       87.66411 166.4688       91.35241 356.3185       311.6608 71.57948 20.63332 100.4976 38.23456 -28.91815      43.44670 
1 1 1 -1  25 35 o 292.2807 7.704601 2536.660       131.9538 2512.461       141.4960 2698.138       365.5143 290.5866 8.311211 289.3654 21.69607 1.221252       23.23350 
1 1 1 -1  25 36 f 40.31832 18.34092 -43.69172      94.99477 -62.94469      99.02228 178.6503       336.5075 39.57964 18.27050 85.96847 36.97557 -46.38882      41.24323 
1 1 1 -1  25 37 o 112.2921 16.09596 399.4811       102.9755 388.5741       109.0898 488.6796       311.9674 110.0099 17.49345 107.8575 38.74357 2.152397       42.50983 
1 1 1 -1  25 38 o 86.92150 20.10293 253.0189       100.4371 266.7329       106.2333 137.5316       308.2800 88.97589 20.74238 79.48283 34.77610 9.493065       40.49226 
1 1 1 -1  25 39 o 226.3773 9.111154 1540.200       120.7170 1513.239       127.8927 1760.437       365.5314 223.9840 9.759369 219.6384 29.09166 4.345612       30.68501 
1 1 1 -1  25 40 o 90.69985 20.57917 280.7078       106.9472 304.1436       111.9129 34.06358       363.0580 94.38152 20.78159 75.29012 34.83587 19.09139       40.56368 
1 1 1 -1  25 41 o 46.71222 20.30148 10.70004       103.5650 48.63159       107.3190 -503.2090      395.0203 51.71751 21.48643 60.16086 29.80735 -8.443352      36.74432 
1 1 1 -1  25 42 o 139.4572 14.05713 613.6362       113.4037 652.1617       118.7160 211.8336       383.3904 143.6420 14.28111 82.27275 37.19476 61.36920       39.84219 
1 1 1 -1  25 43 o 93.57748 29.35734 351.9698       179.3159 372.3016       195.6602 245.2997       448.1628 94.91880 30.76572 84.11610 38.84328 10.80270       49.55129 
1 1 1 -1  25 44 o 79.66826 24.79281 236.9021       128.1602 235.9721       133.0626 248.8304       476.5414 79.24345 25.34275 83.73970 39.13663 -4.496254      46.62543 
1 1 1 -1  26 1  o 234.5981 8.141583 1619.769       111.8472 1643.849       120.7051 1473.528       297.4578 236.2741 8.725811 220.8018 23.32261 15.47229       24.90148 
1 1 1 -1  26 2  o 575.9469 11.15110 9772.194       376.6610 9800.274       509.2532 9738.278       559.6669 575.4758 15.10190 573.0837 16.66951 2.392151       22.49311 
1 1 1 -1  26 3  o 453.5121 9.633206 6052.167       256.2184 5672.960       314.8898 6795.105       440.7541 438.4346 12.25828 478.9111 15.71373 -40.47650      19.92955 
1 1 1 -1  26 4  o 187.3734 9.152790 1035.249       100.2758 1070.591       110.3137 867.1359       240.5945 190.4630 9.909790 168.2354 25.15593 22.22768       27.03747 
1 1 1 -1  26 5  o 253.6480 7.403699 1892.229       110.0185 1865.631       122.1715 2006.316       253.0304 251.7630 8.285510 259.6493 16.70496 -7.886276      18.64686 
1 1 1 -1  26 6  o 430.8465 7.510633 5455.525       189.7796 5547.220       227.3898 5245.038       344.5176 434.2519 8.928507 421.0722 13.97031 13.17963       16.57974 
1 1 1 -1  26 7  o 387.2505 7.266578 4406.946       165.0336 4395.461       192.5537 4438.732       320.3381 386.5938 8.492713 387.2394 14.12886 -0.6456909     16.48487 
1 1 1 -1  26 8  o 159.1608 9.801528 748.6086       91.04760 871.0097       102.7682 301.9432       196.3168 171.6670 10.25428 99.33601 30.64724 72.33095       32.31724 
1 1 1 -1  26 9  o 189.5216 8.549737 1058.718       94.78559 1060.201       106.8838 1053.255       205.1039 189.5215 9.647927 187.1654 18.94584 2.356155       21.26094 
1 1 1 -1  26 10 o 53.86543 20.95946 55.00345       95.14572 55.00345       95.14572 0.000000       0.000000 53.86543 20.95946 ?        ?        0.000000       20.95946 
1 1 1 -1  26 11 o 90.93497 15.82445 252.1742       81.33007 276.4706       93.19567 174.5680       166.5606 95.00393 17.36619 80.27090 28.36520 14.73302       33.25911 
1 1 1 -1  26 12 o 206.8036 7.573312 1259.251       91.69813 1240.739       108.6726 1305.018       170.8697 205.0954 9.057036 209.5207 13.98561 -4.425308      16.66215 
1 1 1 -1  26 13 o 152.5315 11.14528 690.0064       99.01321 778.1819       109.5626 297.1414       231.2651 161.9589 11.61177 100.0285 33.49658 61.93037       35.45214 
1 1 1 -1  26 14 o 60.37059 23.30107 74.08314       116.8757 170.7960       138.6175 -163.7423      217.3728 77.12012 25.93427 58.31967 26.97374 18.80045       37.41883 
1 1 1 -1  26 15 o 209.2970 11.54949 1297.139       141.2178 1317.556       173.1786 1256.618       243.9698 210.4433 14.11324 203.8143 20.69708 6.629013       25.05100 
1 1 1 -1  26 16 f 254.5398 10.87760 1914.877       162.0082 2165.645       207.9530 1527.661       258.4078 270.2468 13.16018 225.1837 19.76710 45.06314       23.74718 
1 1 1 -1  26 17 o 187.4196 11.73550 1041.248       128.3458 793.1066       174.6588 1332.528       189.2328 161.9955 18.72837 211.3610 15.37091 -49.36546      24.22843 
1 1 1 -1  26 18 o 292.2573 8.370420 2515.606       143.3229 2678.347       216.9431 2389.566       190.9199 300.8180 12.32287 284.2887 11.47452 16.52927       16.83798 
1 1 1 -1  26 19 o 246.4508 8.826365 1790.352       127.3682 1914.344       201.8036 1708.257       164.2059 253.9666 13.59841 240.2535 11.68890 13.71312       17.93174 
1 1 1 -1  26 20 o 237.7153 8.817462 1665.967       122.7151 1828.782       202.7137 1571.789       154.1742 248.0955 13.98868 230.4619 11.44253 17.63354       18.07248 
1 1 1 -1  26 21 o 97.04087 14.90296 285.6604       82.10864 250.2734       155.6802 299.2975       96.64325 90.05463 27.19635 98.86181 17.29806 -8.807175      32.23141 
1 1 1 -1  26 22 o 300.7025 8.255027 2663.917       145.4437 2711.455       218.3195 2625.983       195.0234 302.5141 12.33126 297.9741 11.17966 4.540039       16.64466 
1 1 1 -1  26 23 o 146.4175 10.48333 636.1025       89.42512 440.4072       163.1131 720.1986       106.9268 118.4106 24.30313 155.6100 11.80459 -37.19931      27.01834 
1 1 1 -1  26 24 o 150.1917 10.49692 669.5816       91.87888 759.8947       193.5612 643.3139       104.3888 157.2023 21.56220 146.8809 12.22904 10.32141       24.78867 
1 1 1 -1  26 25 o 119.2224 12.19341 425.6868       84.05820 534.1944       191.3404 399.7372       93.57116 129.6659 26.06601 115.0671 14.16421 14.59888       29.66583 
1 1 1 -1  26 26 o 108.7297 25.78977 378.7030       161.9528 310.3763       188.8529 568.6125       314.8486 98.60844 29.99078 129.8677 38.55068 -31.25928      48.84262 
1 1 1 -1  26 27 o 382.2302 7.680992 4305.878       172.1840 4324.270       191.3775 4227.740       394.4733 382.8226 8.523988 374.1262 18.03140 8.696442       19.94467 
1 1 1 -1  26 28 o 53.80940 19.42495 75.01059       78.53482 94.10842       80.83708 -246.0168      331.4283 57.75695 19.80001 69.73859 32.60785 -11.98164      38.14855 
1 1 1 -1  26 29 o 155.9854 10.06564 723.8778       91.59064 700.4827       95.75412 975.4894       314.0219 153.2858 10.71891 171.2256 32.45849 -17.93982      34.18258 
1 1 1 -1  26 30 o 165.9349 16.24734 839.6738       156.0899 849.5289       182.2579 812.5544       302.3388 165.7283 19.10062 153.7267 34.39582 12.00156       39.34344 
1 1 1 -1  26 31 o 56.67343 19.58412 92.18299       79.13516 111.4843       81.89518 -179.7784      307.4103 60.74590 19.91878 67.84380 31.61662 -7.097904      37.36802 
1 1 1 -1  26 32 o 208.7166 8.255828 1293.611       100.8580 1299.331       106.0242 1239.167       327.0927 209.0452 8.666770 190.4407 30.30014 18.60449       31.51525 
1 1 1 -1  26 33 o 43.18223 18.33498 10.27630       80.84135 2.747983       83.75758 112.7743       309.0530 42.89788 18.44886 82.02714 35.35925 -39.12926      39.88279 
1 1 1 -1  26 34 o 247.5081 8.098106 1821.782       117.3920 1836.720       124.5518 1702.943       351.3027 248.3169 8.565324 223.9631 27.30981 24.35374       28.62150 
1 1 1 -1  26 35 o 284.6900 7.919255 2410.722       132.0946 2443.709       142.9063 2217.130       346.1961 286.3148 8.520017 259.8678 22.95100 26.44699       24.48140 
1 1 1 -1  26 36 o 72.99722 21.84834 178.5649       100.8045 143.1378       106.0711 508.9762       323.9339 66.71985 22.68523 109.6491 39.46804 -42.92924      45.52303 
1 1 1 -1  26 37 o 153.4640 12.21291 721.3381       109.0137 713.3076       113.5592 815.6710       389.2067 152.2669 12.83588 131.3506 43.44031 20.91631       45.29702 
1 1 1 -1  26 38 f 47.33554 20.29914 16.63862       100.8567 58.02938       105.2981 -443.2006      350.9714 53.18066 21.59755 59.09841 29.05531 -5.917747      36.20311 
1 1 1 -1  26 39 o 101.9217 18.10653 341.7620       104.2661 335.3374       109.1085 409.3595       353.9157 100.2500 19.25740 96.12161 39.38346 4.128365       43.83953 
1 1 1 -1  26 40 o 59.97296 22.24474 110.4107       104.0603 101.7821       107.9039 225.0970       393.3891 58.98986 22.48439 84.36859 37.95082 -25.37873      44.11137 
1 1 1 -1  26 41 o 50.38658 21.14776 40.91093       105.5439 60.77856       109.7893 -201.1839      383.2478 53.44308 21.92045 66.77645 32.26858 -13.33337      39.00984 
1 1 1 -1  26 42 o 81.71868 23.39136 242.5703       117.7998 227.2927       121.5860 476.4782       475.7495 78.81089 24.08276 94.11558 42.08084 -15.30469      48.48481 
1 1 1 -1  26 43 o 60.66755 23.93761 107.9791       125.5701 140.7136       129.7084 -380.6006      501.1104 65.25569 24.70323 68.19538 33.74955 -2.939690      41.82442 
1 1 1 -1  27 1  o 245.7991 13.59594 1790.732       195.2292 0.000000       0.000000 1790.732       195.2292 ?        ?        245.7991 13.59594 0.000000       13.59594 
1 1 1 -1  27 2  o 259.7563 10.20590 1990.298       155.1751 2046.212       183.3283 1849.019       291.4109 263.1071 11.91171 248.2034 20.19356 14.90376       23.44502 
1 1 1 -1  27 3  o 453.2219 9.896850 6048.546       263.0621 6273.704       355.4726 5775.950       391.1306 460.6591 13.17110 441.4149 15.13097 19.24417       20.06051 
1 1 1 -1  27 4  o 376.6760 9.302526 4176.160       205.5035 3950.256       247.2555 4680.842       369.5670 365.8010 11.53969 397.0609 15.90249 -31.25986      19.64824 
1 1 1 -1  27 5  f 209.3825 8.595019 1291.919       105.3207 1278.066       115.7898 1358.303       253.4680 208.1403 9.510711 212.3037 20.61632 -4.163437      22.70432 
1 1 1 -1  27 6  o 148.0082 10.74132 649.0595       92.60369 658.5612       103.9801 612.6255       203.6114 148.9037 12.00855 140.4549 25.66345 8.448792       28.33405 
1 1 1 -1  27 7  o 89.36958 16.72138 244.6585       84.42123 275.8862       92.17038 82.02111       210.3445 94.94515 17.18517 75.28819 30.54384 19.65697       35.04649 
1 1 1 -1  27 8  o 355.4866 7.237678 3714.877       150.8944 3820.955       177.5410 3438.894       286.3689 360.3715 8.400355 340.4937 14.37289 19.87772       16.64770 
1 1 1 -1  27 9  o 151.7356 17.80021 694.3859       155.3947 694.3859       155.3947 0.000000       0.000000 151.7356 17.80021 ?        ?        0.000000       17.80021 
1 1 1 -1  27 10 o 140.3178 11.47204 584.8910       93.58362 663.2554       104.8208 277.0624       207.7507 149.3840 12.06708 96.32473 31.73247 53.05927       33.94943 
1 1 1 -1  27 11 o 186.8003 8.485763 1029.026       92.72213 1111.198       108.6245 808.3865       177.9951 193.9849 9.577545 163.5482 18.90480 30.43674       21.19247 
1 1 1 -1  27 12 o 87.62520 16.97007 235.9490       84.05824 224.7288       98.04880 267.0662       163.2832 85.02108 20.00047 92.91234 27.80615 -7.891258      34.25202 
1 1 1 -1  27 13 o 33.16166 15.99660 -143.6449      93.17554 -181.2062      101.2649 63.67596       237.9087 33.11990 16.13864 77.16515 32.01920 -44.04525      35.85645 
1 1 1 -1  27 14 o 194.0265 9.922050 1112.375       112.5301 1209.968       125.4281 709.7208       254.7720 202.2730 10.61030 149.7536 30.05418 52.51938       31.87212 
1 1 1 -1  27 15 o 280.4269 7.520587 2314.328       123.5748 2367.483       155.0031 2221.616       204.7085 283.3565 9.340080 273.8142 12.78291 9.542267       15.83161 
1 1 1 -1  27 16 o 315.0492 7.454159 2918.784       137.7297 2811.466       173.6987 3100.520       226.0377 308.7693 9.603736 323.7849 11.92384 -15.01569      15.31044 
1 1 1 -1  27 17 o 300.5993 8.820835 2662.405       155.3382 2634.807       224.8166 2687.617       214.8826 298.2306 12.88402 301.3708 12.18276 -3.140167      17.73182 
1 1 1 -1  27 18 o 173.1186 11.39873 888.4437       115.0873 903.2575       175.7994 877.3334       152.2459 173.3031 17.53771 171.2840 15.31728 2.019180       23.28498 
1 1 1 -1  27 19 o 257.6624 8.029735 1955.318       121.1916 2093.293       168.1496 1806.167       174.8270 266.1471 10.79508 246.9360 12.10876 19.21111       16.22208 
1 1 1 -1  27 20 o 50.86124 19.97337 46.50969       87.05955 138.9320       161.1134 8.393661       103.4659 74.85575 27.69482 49.22746 20.81500 25.62829       34.64487 
1 1 1 -1  27 21 o 158.2406 10.62131 742.4877       97.99954 961.6523       173.3265 639.5020       118.8141 178.8607 16.71706 146.1688 14.03214 32.69189       21.82570 
1 1 1 -1  27 22 o 290.6384 8.613869 2490.935       146.6635 2457.350       238.4467 2511.374       186.0114 287.2962 14.19573 291.3398 10.90577 -4.043610      17.90125 
1 1 1 -1  27 23 o 295.0805 8.672817 2569.078       149.9270 2728.279       249.2210 2478.787       187.6877 302.5926 14.08214 289.2805 11.08333 13.31207       17.92057 
1 1 1 -1  27 24 o 245.8673 8.826262 1785.492       127.0641 1740.968       220.2012 1807.718       155.5788 240.9215 15.66954 246.9632 10.76744 -6.041687      19.01242 
1 1 1 -1  27 25 o 71.07646 18.26674 157.8717       76.55396 -164.8644      187.7800 222.2032       83.83729 52.43403 24.52572 84.52075 17.49010 -32.08672      30.12332 
1 1 1 -1  27 26 o 147.1829 11.08497 645.5358       94.98148 455.9421       195.2454 704.3145       108.7123 118.3967 28.46951 153.5290 12.17320 -35.13226      30.96288 
1 1 1 -1  27 27 o 243.1275 7.728878 1744.854       110.0649 1753.638       115.9386 1664.687       350.2397 243.6552 8.124742 229.5710 26.49922 14.08423       27.71679 
1 1 1 -1  27 28 o 93.11947 15.11058 266.5244       79.69638 225.8621       81.91471 986.9196       344.7875 85.07587 17.01230 170.0606 35.70858 -84.98470      39.55403 
1 1 1 -1  27 29 o 116.9547 12.17170 412.3763       82.26714 449.4793       84.96803 -143.5621      328.9005 122.1957 12.01137 72.86152 33.51231 49.33414       35.59983 
1 1 1 -1  27 30 o 84.77947 16.50055 225.6358       79.08975 258.2823       81.40125 -324.8332      334.2560 91.06801 15.81447 65.16927 31.13526 25.89874       34.92137 
1 1 1 -1  27 31 o 165.5620 9.603929 818.5709       92.85210 845.6085       96.79155 506.5532       328.8081 168.2029 9.855082 115.8401 39.92486 52.36285       41.12319 
1 1 1 -1  27 32 o 142.4335 10.88412 611.0599       90.23059 601.6488       93.68851 731.5382       335.2122 141.1407 11.41570 136.4476 39.58276 4.693176       41.19603 
1 1 1 -1  27 33 o 253.9573 7.725042 1915.438       114.9230 1912.258       120.9201 1945.137       369.5062 253.5689 8.141705 240.2085 26.67851 13.36038       27.89320 
1 1 1 -1  27 34 o 107.2685 15.81145 361.7851       96.49083 375.8137       100.4558 194.5214       346.8712 109.2000 16.17397 87.75175 37.63835 21.44822       40.96636 
1 1 1 -1  27 35 o 275.5307 8.309007 2264.829       134.1137 2326.639       143.7783 1850.883       372.0807 278.9805 8.798572 229.5858 28.22734 49.39478       29.56683 
1 1 1 -1  27 36 o 142.7913 12.48867 626.1320       103.5332 629.9581       107.6590 579.0644       377.6016 142.9745 12.98064 111.9668 42.20170 31.00768       44.15292 
1 1 1 -1  27 37 o 121.0985 14.15104 458.8875       98.61013 457.0178       102.4154 482.6543       365.1479 120.5017 14.80239 103.2201 40.79111 17.28161       43.39384 
1 1 1 -1  27 38 o 121.4674 15.05319 467.3496       104.9424 472.7171       109.3960 405.4246       371.5743 121.8009 15.67761 95.96928 39.93493 25.83160       42.90205 
1 1 1 -1  27 39 o 65.30717 22.79058 142.0758       107.2962 179.0698       111.4130 -330.9278      398.3845 71.62643 23.21579 64.79735 31.66908 6.829079       39.26708 
1 1 1 -1  27 40 f 129.7024 14.73210 534.1605       110.0801 513.2358       114.7671 774.7626       389.1684 126.3865 15.82964 119.4557 43.22515 6.930779       46.03251 
1 1 1 -1  27 41 o 50.87551 21.53259 39.99822       110.8994 69.80634       113.9145 -500.8319      485.2241 54.84595 22.39261 65.42788 32.52256 -10.58193      39.48602 
1 1 1 -1  27 42 o 61.04476 23.89210 111.3489       124.2193 106.3266       128.1216 190.0468       507.1719 60.71807 24.10910 83.01189 39.28233 -22.29382      46.09067 
1 1 1 -1  28 1  o 97.28913 15.79740 287.7903       87.04745 326.6541       94.47677 69.42954       223.9439 103.7400 16.04588 75.93555 31.24371 27.80441       35.12321 
1 1 1 -1  28 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  28 3  o 42.03675 18.69459 -33.00641      92.58987 9.288227       99.32095 -313.6968      255.8657 48.48280 20.44143 57.51141 27.41122 -9.028614      34.19397 
1 1 1 -1  28 4  o 260.8930 9.969329 2008.439       152.2576 2029.419       176.9070 1948.496       299.0296 261.9776 11.54244 254.5144 20.19879 7.463242       23.26412 
1 1 1 -1  28 5  o 137.3233 11.56888 560.4608       92.30651 519.1916       98.04424 882.4166       273.8464 131.9239 12.83411 167.9977 28.83204 -36.07382      31.55948 
1 1 1 -1  28 6  o 50.07790 20.04341 37.88993       89.25411 71.46427       97.18620 -142.9678      225.5638 56.71949 21.40298 60.91406 27.91934 -4.194569      35.17921 
1 1 1 -1  28 7  o 195.1435 9.323317 1124.052       106.3940 1120.051       118.2744 1141.020       243.5683 194.6395 10.39893 193.8393 21.80303 0.8001404      24.15595 
1 1 1 -1  28 8  o 171.5571 16.09898 881.7505       160.0859 881.7505       160.0859 0.000000       0.000000 171.5571 16.09898 ?        ?        0.000000       16.09898 
1 1 1 -1  28 9  o 73.03681 20.47653 164.3239       91.22544 221.3244       100.3823 -106.0431      218.6222 84.33093 20.49898 61.93796 28.03602 22.39297       34.73077 
1 1 1 -1  28 10 f 385.5887 7.568620 4372.663       171.1557 4619.603       207.3829 3845.152       303.1045 396.0995 8.927258 359.9266 14.38812 36.17282       16.93263 
1 1 1 -1  28 11 o 42.33718 18.53238 -18.21583      87.63765 -5.980571      100.3655 -57.48693      179.8103 46.88855 20.18055 58.52202 26.03741 -11.63347      32.94239 
1 1 1 -1  28 12 f 301.3643 7.147313 2670.190       126.3238 2665.110       153.4014 2680.893       222.6605 300.7628 8.705867 300.8710 12.64683 -0.1082458     15.35365 
1 1 1 -1  28 13 o 162.2702 15.19364 787.8315       142.9129 872.7177       169.2296 576.7769       266.8427 170.4121 17.16635 133.8447 33.94843 36.56738       38.04182 
1 1 1 -1  28 14 o 262.3309 8.479300 2027.460       130.2834 2108.892       144.8303 1682.087       298.2682 267.4354 9.247922 235.7345 21.82178 31.70090       23.70050 
1 1 1 -1  28 15 o 96.32513 25.03481 291.0206       142.7069 188.5063       161.6529 653.0720       303.7920 81.58112 27.99855 141.9118 36.34529 -60.33065      45.87918 
1 1 1 -1  28 16 o 293.6459 11.44681 2549.334       196.7552 2546.343       258.4418 2553.457       303.4546 292.5903 15.11215 292.2082 17.79155 0.3821106      23.34345 
1 1 1 -1  28 17 o 221.0046 9.632636 1441.952       124.5526 1474.116       146.3081 1357.275       237.3905 223.1965 11.21305 212.2521 19.28061 10.94443       22.30413 
1 1 1 -1  28 18 o 162.4618 12.63682 785.3544       119.4574 874.4702       188.1642 725.1866       154.6114 169.9554 19.21437 155.0751 17.29397 14.88023       25.85099 
1 1 1 -1  28 19 o 179.8401 10.28957 957.3644       108.0732 945.3102       153.4966 969.2142       152.1888 177.8017 14.85581 180.1250 14.52969 -2.323334      20.77996 
1 1 1 -1  28 20 o 202.2741 12.50199 1215.969       147.5850 0.000000       0.000000 1215.969       147.5850 ?        ?        202.2741 12.50199 0.000000       12.50199 
1 1 1 -1  28 21 f 128.5283 13.12189 494.9211       97.52499 752.1606       195.4061 409.5905       112.5439 156.2850 21.92107 115.8932 17.06882 40.39172       27.78269 
1 1 1 -1  28 22 o 218.8943 9.222197 1416.346       118.1259 1761.754       221.3918 1278.877       139.6681 242.4437 15.65408 207.5078 11.52181 34.93594       19.43714 
1 1 1 -1  28 23 f 147.3696 11.19689 646.7424       96.04903 492.7334       191.0083 698.8651       111.1200 123.9494 27.03851 152.9468 12.49685 -28.99741      29.78678 
1 1 1 -1  28 24 o 291.3323 8.566160 2506.309       146.2020 2602.791       242.3444 2451.103       183.3191 295.1752 14.03942 287.4853 10.89251 7.689911       17.76941 
1 1 1 -1  28 25 o 272.2292 12.36583 2207.012       196.9123 2419.104       237.3219 1738.348       352.7819 284.3187 14.27822 235.3510 25.99122 48.96777       29.65487 
1 1 1 -1  28 26 o 122.0219 12.61420 447.8321       88.97102 617.5040       203.0101 407.4955       98.98331 138.8121 25.88883 115.7467 14.92883 23.06545       29.88481 
1 1 1 -1  28 27 o 68.14291 27.52635 83.25458       170.0046 102.4534       195.9738 24.87243       341.7443 73.33694 29.57912 83.68307 36.61438 -10.34613      47.06950 
1 1 1 -1  28 28 o 174.6307 8.679567 904.7600       88.61477 904.1644       91.43353 913.9761       359.6567 174.5058 8.964020 159.6375 38.79964 14.86833       39.82167 
1 1 1 -1  28 29 o 143.6017 10.00006 616.2959       83.69331 635.0891       87.10280 390.2408       302.0919 145.7139 10.25804 106.2547 38.13060 39.45925       39.48633 
1 1 1 -1  28 30 o 156.5881 9.509218 732.3917       86.91647 736.4745       89.92654 674.4483       338.7720 156.9309 9.819996 131.9362 40.17619 24.99466       41.35890 
1 1 1 -1  28 31 o 94.18546 15.74726 278.2437       83.91547 238.9382       86.71436 857.8029       332.9763 86.43328 17.70249 149.8125 37.88126 -63.37925      41.81349 
1 1 1 -1  28 32 f 109.1616 14.36934 369.2297       89.76178 376.4940       93.08342 272.8601       339.0358 110.0747 14.79312 93.59904 38.46985 16.47569       41.21608 
1 1 1 -1  28 33 o 77.18443 19.71458 196.1509       89.55006 189.4981       92.59117 292.4657       352.3018 75.70908 20.39758 94.34918 39.03989 -18.64010      44.04741 
1 1 1 -1  28 34 o 100.6819 16.76950 323.8105       95.53859 288.7002       99.31477 759.3549       349.7940 94.06668 18.66130 132.3234 40.92361 -38.25668      44.97762 
1 1 1 -1  28 35 o 152.1998 11.24226 704.8806       99.64191 732.5668       103.8173 381.3086       354.9148 155.0459 11.49904 97.40855 39.61715 57.63731       41.25223 
1 1 1 -1  28 36 o 38.28957 17.50831 -43.34138      88.01246 -66.41588      90.16640 422.3845       405.0828 36.78222 17.13514 98.81831 41.44987 -62.03610      44.85204 
1 1 1 -1  28 37 f 218.1122 8.902410 1430.060       113.6382 1413.921       117.0308 1696.373       475.4079 216.6773 9.230654 191.9667 43.26584 24.71054       44.23955 
1 1 1 -1  28 38 o 68.85130 22.37341 162.8488       103.4371 163.0504       107.3597 160.2396       386.1862 68.90515 22.81618 81.42951 37.01817 -12.52436      43.48474 
1 1 1 -1  28 39 o 106.2631 18.43480 375.4505       110.7238 368.9838       116.2167 439.0498       364.4616 104.4867 19.68718 95.70332 39.66388 8.783371       44.28102 
1 1 1 -1  28 40 o 44.46395 20.22713 -33.60912      115.5444 -0.8505128     119.5872 -493.6865      448.1643 48.08724 21.32340 63.37024 31.45835 -15.28300      38.00415 
1 1 1 -1  28 41 o 77.02339 25.14457 219.8602       130.5692 221.5995       135.4410 196.9786       491.2447 77.13024 25.62990 82.89966 39.05629 -5.769417      46.71494 
1 1 1 -1  28 42 o 62.40458 24.51030 120.5601       131.1200 134.6481       136.0480 -63.40255      491.6246 64.49004 25.07154 74.23553 36.03278 -9.745499      43.89696 
1 1 1 -1  29 1  o 173.2923 9.836699 887.7563       99.56161 798.5323       105.9759 1558.613       290.5901 164.1404 11.07364 226.7319 22.13491 -62.59152      24.75035 
1 1 1 -1  29 2  o 210.2376 11.70876 1309.146       143.7979 1431.099       166.7216 954.8812       284.1566 219.5924 13.00388 174.8104 28.71258 44.78203       31.52004 
1 1 1 -1  29 3  o 169.2903 10.63650 848.5355       105.0705 782.8746       112.1780 1317.992       299.9521 162.3869 11.86073 207.2978 25.18844 -44.91093      27.84124 
1 1 1 -1  29 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  29 5  o 359.1729 10.02437 3805.364       210.9533 3697.126       256.2086 4033.194       371.7159 353.4764 12.37809 367.6645 17.28729 -14.18802      21.26188 
1 1 1 -1  29 6  o 278.4220 10.56767 2289.465       172.2441 2327.667       204.0756 2194.852       321.1654 280.3548 12.44273 269.9717 20.43607 10.38309       23.92603 
1 1 1 -1  29 7  o 256.6538 20.07010 1983.010       299.6971 0.000000       0.000000 1983.010       299.6971 ?        ?        256.6538 20.07010 0.000000       20.07010 
1 1 1 -1  29 8  o 100.2248 17.84243 307.9391       101.0319 310.7583       110.2568 293.1754       252.3165 100.3484 19.43685 100.6794 34.96045 -0.3309860     40.00031 
1 1 1 -1  29 9  o 363.7985 7.732347 3892.926       164.9768 4148.320       195.9924 3272.048       305.5881 375.3550 8.903209 331.5694 15.76000 43.78561       18.10096 
1 1 1 -1  29 10 o 138.1518 13.91514 570.7597       111.2099 627.6450       124.2006 340.7068       249.7683 144.7536 14.83984 105.8544 34.78991 38.89922       37.82272 
1 1 1 -1  29 11 o 101.7704 17.21860 316.4008       99.10934 275.6443       112.4073 458.7312       210.0607 94.13544 20.90493 120.0802 29.93413 -25.94473      36.51121 
1 1 1 -1  29 12 o ?        ?        -430.5357      101.0014 -375.8416      115.2032 -612.2497      209.9851 28.66886 14.46969 40.20132 20.19112 -11.53246      24.84056 
1 1 1 -1  29 13 o 292.8987 8.633267 2527.390       148.1388 2586.678       166.9017 2307.281       321.5856 296.1519 9.622162 277.0473 19.92519 19.10464       22.12689 
1 1 1 -1  29 14 o 282.3331 8.194213 2347.554       135.5376 2277.158       163.4298 2502.636       242.5703 277.7619 10.04904 290.2636 14.29329 -12.50168      17.47230 
1 1 1 -1  29 15 o 118.1970 18.26317 426.1006       122.5234 407.9225       133.9360 519.3366       303.3294 115.0244 20.61148 126.9788 37.87472 -11.95444      43.11992 
1 1 1 -1  29 16 o 217.1618 9.616908 1392.637       122.1774 1268.284       148.0289 1658.378       216.3949 206.7569 12.26284 235.6976 15.74487 -28.94075      19.95691 
1 1 1 -1  29 17 f 166.5761 11.42775 823.6432       110.9648 892.1198       140.2414 708.9965       181.4621 172.8977 13.94876 152.2619 20.86951 20.63579       25.10188 
1 1 1 -1  29 18 o 56.37128 21.55518 67.84465       99.37458 75.25120       133.2437 58.56101       149.1757 62.94733 24.71264 63.51437 25.73862 -0.5670395     35.68180 
1 1 1 -1  29 19 o 262.8615 9.608505 2041.171       147.8774 2052.212       165.8224 1998.283       326.8259 263.3272 10.76001 256.1520 21.96736 7.175232       24.46105 
1 1 1 -1  29 20 o 306.0629 8.954971 2765.088       160.5677 2945.433       258.8672 2652.316       204.7044 314.3925 14.07528 299.0556 11.69399 15.33682       18.29925 
1 1 1 -1  29 21 o 171.4997 10.64922 873.2684       106.5820 939.8668       180.7826 837.7878       131.9532 176.0788 17.74842 167.3200 13.56307 8.758820       22.33749 
1 1 1 -1  29 22 o 263.5113 8.385123 2049.945       129.4214 2111.230       194.0374 2000.831       173.7048 266.3567 12.45592 259.5829 11.43807 6.773712       16.91093 
1 1 1 -1  29 23 o 98.97520 15.46367 299.7010       86.82669 235.9486       187.3498 317.1394       97.98473 88.43710 30.14748 101.4484 17.07458 -13.01134      34.64697 
1 1 1 -1  29 24 o 52.25583 18.90034 70.16722       74.39467 195.2049       185.9194 46.32998       81.17684 83.04941 29.89968 49.30116 19.30876 33.74825       35.59241 
1 1 1 -1  29 25 o 173.7834 10.27895 898.0552       104.2950 849.1229       205.3992 915.0541       121.0629 165.0675 21.74551 175.0269 11.86397 -9.959381      24.77137 
1 1 1 -1  29 26 o 45.30383 21.71019 -211.6894      165.2142 -154.4217      189.3885 -394.0405      337.9503 52.79778 24.67452 64.21600 30.84575 -11.41822      39.50054 
1 1 1 -1  29 27 o 50.77273 23.38635 -98.94193      160.9815 -59.85807      185.0949 -220.3141      326.1786 57.66905 25.97848 68.75478 32.21270 -11.08574      41.38284 
1 1 1 -1  29 28 o 206.8088 7.789593 1267.277       94.30991 1265.586       97.96255 1288.695       348.6222 206.5836 8.101336 194.1376 31.71312 12.44591       32.73154 
1 1 1 -1  29 29 o 211.0076 7.900828 1321.277       97.60085 1336.181       101.7987 1151.670       343.4157 212.0995 8.199185 179.9301 33.78397 32.16945       34.76468 
1 1 1 -1  29 30 f 136.8815 10.77265 564.5420       85.78393 597.0699       88.82159 113.2371       330.8460 140.7675 10.84233 83.48843 36.28514 57.27911       37.87040 
1 1 1 -1  29 31 o 152.0081 10.58669 696.0123       93.78958 680.7835       97.20341 901.4670       357.0316 150.1241 11.11922 149.8867 39.90894 0.2374268      41.42898 
1 1 1 -1  29 32 o 54.01744 20.49166 74.59920       89.36249 88.98382       92.95173 -100.9450      324.7144 56.84434 21.03503 70.31193 32.67460 -13.46759      38.86003 
1 1 1 -1  29 33 o 230.2847 8.449757 1583.679       113.9260 1571.367       120.4795 1687.696       350.1980 229.1176 8.983525 219.6327 27.80976 9.484924       29.22476 
1 1 1 -1  29 34 o 163.0406 10.80854 806.2576       102.7673 845.0251       107.5240 396.9517       349.3776 166.8039 11.05364 98.48619 39.57418 68.31773       41.08892 
1 1 1 -1  29 35 o 39.34679 17.78019 -31.11742      87.49158 -30.65280      90.01321 -39.06326      372.2433 39.99146 18.05651 74.24665 34.66368 -34.25520      39.08463 
1 1 1 -1  29 36 o 86.04807 18.88639 247.3889       92.69011 254.0827       95.02089 115.9439       421.0728 87.10637 19.12527 82.15402 37.83430 4.952347       42.39351 
1 1 1 -1  29 37 o 110.8206 16.10069 395.4694       101.5849 399.0483       104.8709 341.0297       409.0142 111.0178 16.61715 91.00092 39.92953 20.01689       43.24924 
1 1 1 -1  29 38 o 116.4655 16.27941 438.5911       108.1618 464.0964       113.9546 206.6856       343.6147 119.5652 16.70632 81.42513 36.12373 38.14002       39.79980 
1 1 1 -1  29 39 o 53.55180 22.92317 41.28643       128.1875 18.13449       134.7217 262.7394       416.6626 52.22910 22.91675 84.88588 38.53500 -32.65678      44.83440 
1 1 1 -1  29 40 o 66.89314 27.86704 126.7573       181.2290 93.68836       195.7327 325.4126       479.7371 65.07887 28.09701 87.29710 40.26794 -22.21822      49.10142 
1 1 1 -1  29 41 o 122.0016 20.28835 511.5877       140.0690 451.2023       146.3524 1169.883       483.2188 112.0838 23.03475 132.2721 48.12241 -20.18830      53.35135 
1 1 1 -1  30 1  o 66.73654 22.24943 127.4157       102.0514 73.87012       108.5501 534.8706       299.4388 58.95795 22.53226 128.7873 37.42585 -69.82939      43.68520 
1 1 1 -1  30 2  o 158.4427 12.12454 745.9488       111.8089 757.9548       121.5011 679.5745       285.6799 159.5463 13.10031 145.2552 34.11916 14.29118       36.54771 
1 1 1 -1  30 3  o 172.2606 11.29650 879.5446       113.4951 944.7755       123.4919 524.8748       287.9544 178.4644 11.86616 127.6413 36.58294 50.82303       38.45929 
1 1 1 -1  30 4  o 147.5491 12.85505 648.5692       110.1305 650.1176       118.7486 639.0486       294.4612 147.5344 13.88746 140.4695 35.68010 7.064865       38.28749 
1 1 1 -1  30 5  o 285.6056 11.29205 2411.321       188.7701 2496.795       224.5052 2205.083       348.7327 290.2020 13.22570 269.9737 22.22180 20.22833       25.85977 
1 1 1 -1  30 6  o 41.01335 19.31708 -128.0711      120.0194 -128.0711      120.0194 0.000000       0.000000 41.01335 19.31708 ?        ?        0.000000       19.31708 
1 1 1 -1  30 7  o 136.1963 38.71358 602.8681       323.7831 0.000000       0.000000 602.8681       323.7831 ?        ?        136.1963 38.71358 0.000000       38.71358 
1 1 1 -1  30 8  o 84.56956 22.61181 222.6447       114.3162 270.6294       123.6226 -60.54288      300.3196 93.03809 22.83002 76.80862 33.93829 16.22947       40.90253 
1 1 1 -1  30 9  o 186.0417 11.36460 1025.346       123.4065 1103.545       135.7317 652.4805       296.3846 192.9112 12.05731 141.9796 35.64993 50.93161       37.63371 
1 1 1 -1  30 10 o 274.0673 8.911205 2213.825       143.0430 2244.393       158.7085 2081.510       330.1942 275.8044 9.827503 262.4844 21.64151 13.31998       23.76836 
1 1 1 -1  30 11 o 340.2734 7.839838 3406.102       156.4536 3469.290       188.2753 3265.108       281.2408 343.0566 9.366639 331.5792 14.49745 11.47736       17.26007 
1 1 1 -1  30 12 o 209.1891 10.01517 1292.897       122.5137 1167.894       138.6536 1738.010       261.6415 198.4685 11.96773 240.5650 18.69143 -42.09650      22.19451 
1 1 1 -1  30 13 o 70.98574 22.67372 149.4358       106.5363 128.9769       122.3222 213.7106       216.8127 69.09541 24.31753 89.21993 32.26627 -20.12453      40.40364 
1 1 1 -1  30 14 o 226.4931 9.977630 1515.603       132.2104 1607.554       146.8766 1122.929       303.5217 233.1336 10.77141 189.7397 28.12639 43.39397       30.11839 
1 1 1 -1  30 15 o 83.54312 23.61028 217.3224       120.7807 249.3974       130.3398 22.39948       321.3112 89.18605 24.27446 84.10552 36.15210 5.080528       43.54565 
1 1 1 -1  30 16 o 106.4046 18.13192 347.6519       109.0970 277.9707       130.9401 505.8304       197.2825 93.93982 23.75579 126.1815 27.44219 -32.24172      36.29616 
1 1 1 -1  30 17 o 125.6728 22.67721 492.0096       160.9919 612.6280       185.2694 120.1205       325.3145 140.3703 23.32308 90.75544 37.53027 49.61483       44.18696 
1 1 1 -1  30 18 o 311.6855 9.266072 2868.731       169.1922 2884.547       247.7434 2854.906       231.6175 311.2981 13.60269 309.9654 12.76846 1.332703       18.65654 
1 1 1 -1  30 19 o 345.1113 7.702472 3508.347       155.8978 3585.181       200.5259 3390.950       247.8693 348.2415 9.828198 337.8115 12.53290 10.43002       15.92693 
1 1 1 -1  30 20 o 152.6133 11.50084 694.0321       102.1798 692.3538       149.5713 695.5009       139.9193 150.9649 17.20002 151.6707 15.96923 -0.7057800     23.47034 
1 1 1 -1  30 21 f 136.3575 12.30226 556.5217       97.32479 678.3665       162.4016 488.2388       121.5745 148.7287 19.05575 126.5053 16.80141 22.22334       25.40490 
1 1 1 -1  30 22 f 94.38310 16.59812 274.9078       88.52374 203.7567       167.6219 302.4277       104.2470 82.89332 28.50860 98.52678 18.72526 -15.63346      34.10829 
1 1 1 -1  30 23 o 138.2029 11.95224 571.8224       95.92496 475.1848       172.0775 615.3923       115.5431 121.7818 24.93310 142.8904 13.96576 -21.10854      28.57800 
1 1 1 -1  30 24 o 256.4314 9.104376 1947.530       136.7043 2237.180       244.1814 1815.301       164.9831 272.4395 15.34444 246.8557 11.42682 25.58379       19.13176 
1 1 1 -1  30 25 o 242.0678 9.121976 1737.486       129.2703 1616.300       218.1550 1803.064       160.4796 230.7113 16.22648 245.9322 11.15543 -15.22083      19.69117 
1 1 1 -1  30 26 o 85.43335 27.66705 235.8787       158.2523 82.30939       181.8551 714.9789       321.2080 68.81788 28.21762 140.1758 38.08791 -71.35792      47.40172 
1 1 1 -1  30 27 o 93.42271 14.19712 269.3136       75.34145 251.4042       181.7633 273.0291       82.78845 87.58060 29.69699 93.61057 15.63051 -6.029961      33.55927 
1 1 1 -1  30 28 o 168.1902 8.420638 841.8126       82.79663 830.3208       85.24310 1033.442       348.0938 166.9423 8.736883 167.2873 36.50787 -0.3450317     37.53875 
1 1 1 -1  30 29 o 76.55243 17.01887 187.6640       74.42963 212.3555       76.30170 -297.0775      338.0776 81.71587 16.49047 64.93490 31.10126 16.78098       35.20261 
1 1 1 -1  30 30 o 131.7681 11.20511 525.6525       85.77132 572.3926       88.58945 -174.1326      342.7833 137.5882 11.07210 69.50163 32.70724 68.08658       34.53050 
1 1 1 -1  30 31 o 50.60880 19.64992 59.27288       83.48793 48.25944       86.28566 220.8926       330.5402 49.36685 19.72464 88.29961 37.26330 -38.93277      42.16177 
1 1 1 -1  30 32 o 67.05305 20.72999 147.8486       89.76529 144.7661       92.80754 192.5670       353.4891 66.50983 21.15335 86.25253 37.49617 -19.74271      43.05144 
1 1 1 -1  30 33 o 172.3049 9.989898 895.9698       100.5178 914.7819       104.6108 669.5813       362.8988 173.9558 10.29996 120.3440 41.91906 53.61178       43.16592 
1 1 1 -1  30 34 o 128.2206 12.71785 507.9014       94.37714 480.1375       97.41227 932.7294       381.0484 124.1922 13.59617 141.2845 42.52232 -17.09229      44.64307 
1 1 1 -1  30 35 o 50.31298 20.37351 51.84158       93.38679 61.57222       95.74823 -138.1628      423.0988 52.04938 20.78422 73.02489 34.92670 -20.97551      40.64306 
1 1 1 -1  30 36 o 75.07133 21.69971 196.0415       100.9093 199.7626       103.7456 130.7677       434.5175 75.63540 22.04369 82.06668 38.01982 -6.431282      43.94806 
1 1 1 -1  30 37 o 191.7401 10.55642 1120.921       118.2500 1168.978       124.1614 651.9908       387.8508 195.5968 10.86638 109.9659 42.44595 85.63084       43.81480 
1 1 1 -1  30 38 o 148.7609 14.62468 702.4634       125.9449 648.5373       132.4453 1211.730       407.0144 141.6706 16.23351 154.3860 43.24026 -12.71536      46.18709 
1 1 1 -1  30 39 o 96.38439 25.07863 346.0584       143.0988 279.3976       151.1313 923.6323       444.8594 85.14443 26.98357 121.4044 45.79583 -36.25999      53.15422 
1 1 1 -1  30 40 o 251.1716 11.80301 1950.594       173.3793 1948.746       184.1174 1965.070       515.2183 250.1688 12.58952 190.9738 46.45267 59.19499       48.12844 
1 1 1 -1  31 1  o 222.3117 10.58566 1460.780       137.6199 1632.673       151.0975 624.1421       333.3469 234.9847 10.99443 138.4189 39.25970 96.56583       40.77011 
1 1 1 -1  31 2  o 41.81668 19.67046 -129.3024      123.7503 -158.0236      132.7607 60.99944       341.7357 42.07912 19.96678 89.41816 37.81985 -47.33904      42.76696 
1 1 1 -1  31 3  o 143.0924 20.00994 623.7087       163.3393 580.7687       188.2882 754.2982       328.3572 136.7997 24.36186 152.2892 37.10951 -15.48955      44.39162 
1 1 1 -1  31 4  o 313.0202 11.48842 2896.360       210.5455 2940.216       256.0167 2804.722       370.0762 314.8033 13.90115 305.2563 20.79588 9.546997       25.01420 
1 1 1 -1  31 5  o 244.1627 10.98746 1762.420       156.9326 1762.420       156.9326 0.000000       0.000000 244.1627 10.98746 ?        ?        0.000000       10.98746 
1 1 1 -1  31 6  o 322.1153 8.803244 3056.971       166.1488 2883.056       178.6171 4173.834       452.6410 312.6427 9.753397 372.6101 20.79578 -59.96744      22.96940 
1 1 1 -1  31 7  o 244.0742 10.16690 1759.266       145.2142 1761.266       158.7938 1749.049       358.8857 244.0443 11.12392 238.7886 26.04855 5.255707       28.32435 
1 1 1 -1  31 8  o 142.5958 17.45852 614.3472       142.9619 614.3472       142.9619 0.000000       0.000000 142.5958 17.45852 ?        ?        0.000000       17.45852 
1 1 1 -1  31 9  o 308.7751 12.11043 2821.890       218.8816 3068.764       268.4772 2332.559       377.9818 321.4480 14.27680 277.0868 23.48060 44.36124       27.48028 
1 1 1 -1  31 10 o 38.88755 18.52078 -146.8978      116.3596 -182.6528      125.2608 78.19427       314.2874 38.90070 18.70979 87.32387 36.56139 -48.42317      41.07057 
1 1 1 -1  31 11 o 140.9001 13.74763 593.7486       112.1596 720.5336       125.7786 101.5602       247.8212 155.2981 13.95866 81.37518 33.10158 73.92288       35.92435 
1 1 1 -1  31 12 o 74.64628 22.71957 169.6633       108.3531 206.4943       120.8221 18.34291       244.8999 81.67558 23.78444 74.25100 31.73156 7.424576       39.65591 
1 1 1 -1  31 13 o 164.6498 12.49626 807.0306       119.7668 853.0167       128.9663 518.7601       322.8961 169.1790 13.10008 126.3859 39.35670 42.79314       41.47965 
1 1 1 -1  31 14 o 400.8573 7.706200 4729.814       181.1676 4791.597       222.5216 4608.346       312.0114 403.0925 9.412761 393.9077 13.52603 9.184845       16.47888 
1 1 1 -1  31 15 o 301.7097 8.842116 2685.645       156.2886 2828.154       174.5329 2108.914       351.1105 309.4442 9.628823 262.6233 23.02890 46.82089       24.96086 
1 1 1 -1  31 16 o 101.8525 20.26083 323.4472       116.7659 279.8293       125.0749 619.3989       325.7980 94.10986 22.88526 135.8837 38.90228 -41.77387      45.13449 
1 1 1 -1  31 17 o 432.4568 7.709269 5509.121       195.5269 5547.735       246.4570 5443.540       321.1863 433.3976 9.696258 427.9832 12.81058 5.414368       16.06638 
1 1 1 -1  31 18 o 143.0912 12.80838 612.9866       106.3518 768.6006       133.2971 340.4146       176.4156 159.9638 14.36119 102.7669 28.35031 57.19690       31.78025 
1 1 1 -1  31 19 o 233.9695 8.719254 1617.741       119.4342 1743.385       154.7612 1432.717       187.8050 242.3744 10.91543 218.5746 14.73679 23.79974       18.33902 
1 1 1 -1  31 20 o 202.9889 9.360513 1220.141       111.1352 1291.785       149.8726 1132.622       165.6465 208.1434 12.33276 194.1790 14.65367 13.96440       19.15273 
1 1 1 -1  31 21 o 83.02401 19.42521 217.2042       92.89526 242.5849       140.8997 197.6890       123.5508 87.30943 25.75638 79.49584 24.27355 7.813591       35.39204 
1 1 1 -1  31 22 o 160.3182 10.61121 765.5551       99.20826 1060.580       157.1341 570.0034       127.9299 187.6897 14.38474 136.7013 16.27616 50.98833       21.72174 
1 1 1 -1  31 23 o 93.15016 16.07943 268.5885       84.66859 213.3041       153.3780 292.8194       101.5422 82.71265 27.26634 96.60435 18.59733 -13.89170      33.00476 
1 1 1 -1  31 24 o 221.2119 8.503017 1450.184       110.1090 1498.229       166.7089 1413.007       146.6481 223.3927 12.77775 217.3935 11.54354 5.999222       17.21988 
1 1 1 -1  31 25 o 61.81032 25.83043 48.36693       156.4276 197.0165       179.2005 -427.5307      320.6373 80.93294 29.32530 59.96069 29.10298 20.97225       41.31533 
1 1 1 -1  31 26 o 88.60372 14.72136 244.0185       73.81471 317.5032       176.8768 228.5216       81.22589 96.27287 28.96997 84.98042 16.89280 11.29245       33.53544 
1 1 1 -1  31 27 o 184.9664 15.91475 1055.673       170.9637 1167.572       191.5461 617.3257       379.1139 193.9085 17.01554 123.1979 42.84948 70.71062       46.10430 
1 1 1 -1  31 28 f 127.2270 9.831736 486.3221       72.79137 478.4294       74.38427 664.7089       353.6302 126.0872 10.14466 127.1609 41.37184 -1.073700      42.59745 
1 1 1 -1  31 29 o 134.3471 10.70205 545.0110       83.62641 563.1455       86.13055 246.6760       349.3471 136.5239 10.84626 91.72488 38.48485 44.79901       39.98406 
1 1 1 -1  31 30 o 27.80882 13.69352 -157.7386      78.96784 -124.2856      80.63609 -941.2234      390.2359 30.24674 14.66054 53.74343 27.06281 -23.49670      30.77868 
1 1 1 -1  31 31 o 58.95210 20.26501 107.4609       84.69477 96.20322       86.92439 318.5008       376.3563 57.07523 20.45723 94.35071 39.78655 -37.27548      44.73776 
1 1 1 -1  31 32 o 105.1682 14.96611 348.8957       89.70670 414.0926       92.89976 -550.9200      345.1263 115.1724 14.04363 56.23963 27.86398 58.93278       31.20296 
1 1 1 -1  31 33 o 109.1996 14.51426 375.4451       90.65392 388.3019       93.80643 193.7493       352.6456 110.9404 14.78536 84.01597 36.96325 26.92439       39.81067 
1 1 1 -1  31 34 o 69.05225 21.58208 162.3312       97.00359 182.0458       100.1077 -140.8542      392.5799 72.72041 21.77439 70.84265 33.81738 1.877754       40.22113 
1 1 1 -1  31 35 o 102.0940 18.06424 344.1959       104.2042 338.5402       107.5030 432.1309       423.8956 100.7227 18.89262 95.77593 41.34919 4.946770       45.46083 
1 1 1 -1  31 36 o 37.04660 17.56534 -96.59392      102.3639 -88.58487      106.1401 -203.1813      387.2057 38.44588 18.12564 67.11324 32.43217 -28.66735      37.15352 
1 1 1 -1  31 37 o 130.3188 15.67984 546.3589       117.4345 594.8548       122.5223 -1.461935      411.7957 136.0655 15.63778 74.33280 35.24038 61.73266       38.55417 
1 1 1 -1  31 38 o 89.19440 24.46293 294.4936       131.7871 333.5099       135.0067 -494.4180      607.0799 95.33826 24.12867 71.18381 35.54173 24.15446       42.95820 
1 1 1 -1  31 39 o 166.4542 14.91455 885.5071       144.0565 926.0465       148.8099 281.1920       574.5460 170.0957 15.07310 85.84618 40.96049 84.24957       43.64585 
1 1 1 -1  32 1  o 287.2199 9.504430 2433.324       159.8794 2305.606       174.9822 3078.856       393.3915 279.3517 10.70030 319.6165 21.10487 -40.26483      23.66246 
1 1 1 -1  32 2  o 404.4662 11.01604 4831.767       261.0681 5183.350       337.6517 4309.157       411.6641 418.0929 13.78923 379.4397 18.55533 38.65320       23.11803 
1 1 1 -1  32 3  o 410.7780 9.879332 4974.023       238.0045 4974.023       238.0045 0.000000       0.000000 410.7780 9.879332 ?        ?        0.000000       9.879332 
1 1 1 -1  32 4  o 477.1842 11.20225 6722.621       313.5032 6583.642       404.7293 6931.094       495.6950 470.8681 14.67389 481.8511 17.57029 -10.98306      22.89188 
1 1 1 -1  32 5  o 115.8576 20.19195 413.2682       132.2151 326.9268       144.8508 844.3895       323.6766 101.9532 24.52560 161.5651 35.16066 -59.61195      42.86930 
1 1 1 -1  32 6  o 266.7888 12.28301 2109.049       191.6708 2083.706       222.1506 2182.864       379.1324 264.6735 14.36539 267.4175 24.44414 -2.744049      28.35279 
1 1 1 -1  32 7  o 176.8378 11.99528 928.6345       123.6681 1000.284       134.2269 526.2189       318.1048 183.4567 12.55103 127.5181 38.95130 55.93859       40.92349 
1 1 1 -1  32 8  o 209.5539 10.58368 1299.367       129.6506 1403.923       139.4810 635.0742       351.5779 217.7736 10.95612 138.6966 40.62399 79.07695       42.07547 
1 1 1 -1  32 9  f 158.4421 13.72446 749.8692       126.2747 782.9829       134.6484 508.2039       363.7512 161.7949 14.33841 126.2086 42.00422 35.58630       44.38406 
1 1 1 -1  32 10 o 393.5968 8.565774 4563.517       197.7283 4597.207       218.7508 4413.077       462.2520 394.8534 9.446334 382.3686 20.69030 12.48480       22.74471 
1 1 1 -1  32 11 o 274.1289 10.80130 2223.427       173.3128 2189.352       216.5758 2284.107       289.0095 271.2939 13.65583 275.7038 17.97183 -4.409882      22.57141 
1 1 1 -1  32 12 o 217.2724 9.649034 1395.622       122.6462 1396.960       138.2657 1390.683       265.6367 217.1359 10.89235 213.5131 21.50625 3.622833       24.10730 
1 1 1 -1  32 13 o 145.2057 14.00063 632.4339       117.7523 652.1872       125.3370 483.8812       343.7156 147.3093 14.70393 122.3373 40.83382 24.97199       43.40053 
1 1 1 -1  32 14 o 195.6558 10.39219 1134.750       118.8201 1042.413       136.2532 1427.918       242.7821 187.0487 12.49217 216.8795 19.28844 -29.83081      22.98039 
1 1 1 -1  32 15 o 129.6435 16.47458 510.7961       122.4359 516.8993       131.3220 470.2222       338.5949 130.0933 17.66825 120.2322 40.53308 9.861031       44.21648 
1 1 1 -1  32 16 f 212.8585 10.88379 1344.869       135.4184 1423.621       147.3163 915.5676       343.9564 218.8612 11.51762 165.3327 36.45478 53.52847       38.23096 
1 1 1 -1  32 17 o 239.7689 10.20840 1703.736       143.2208 1824.021       157.9692 1148.290       339.4583 247.9250 10.89087 187.9419 31.93905 59.98311       33.74483 
1 1 1 -1  32 18 o 82.78258 24.98408 215.1695       131.4132 137.5936       189.9331 286.4101       182.0124 76.91254 29.69909 94.84811 29.55067 -17.93557      41.89604 
1 1 1 -1  32 19 o 223.1780 9.456651 1475.338       123.4963 1403.096       161.1004 1578.290       192.3171 216.7525 12.72910 229.3734 14.36850 -12.62088      19.19593 
1 1 1 -1  32 20 o 218.5068 9.569438 1415.629       122.3341 1468.260       168.5843 1357.089       177.7961 221.5110 13.03452 212.4766 14.35213 9.034393       19.38769 
1 1 1 -1  32 21 f 54.02585 20.83182 63.07217       93.35138 37.99924       151.9101 78.28557       118.3306 60.80001 25.43479 60.22040 23.39034 0.5796089      34.55484 
1 1 1 -1  32 22 o 120.1224 13.51147 437.5255       93.53807 222.7016       152.2310 567.8261       118.5591 83.77258 27.13611 136.5342 15.05587 -52.76167      31.03301 
1 1 1 -1  32 23 o 148.6347 10.36487 660.4873       89.78517 640.7402       143.4181 673.2148       115.1398 143.9545 17.33600 149.1571 13.30170 -5.202545      21.85114 
1 1 1 -1  32 24 o 270.2616 9.944712 2177.548       157.3569 2289.656       175.1299 1707.793       358.4911 276.7300 10.81160 227.3355 27.44274 49.39453       29.49567 
1 1 1 -1  32 25 o 178.1092 8.706273 944.5850       90.66743 983.4484       145.9897 920.1831       115.6814 179.6394 13.96669 174.8664 11.34112 4.773056       17.99137 
1 1 1 -1  32 26 o 288.3505 8.375439 2472.168       141.4876 2246.653       202.8304 2685.909       197.4648 272.4223 12.73041 298.9064 11.28456 -26.48410      17.01190 
1 1 1 -1  32 27 o 137.4990 9.873265 567.9780       79.08792 503.2546       142.5848 596.7399       95.04979 124.8013 20.16817 140.3065 11.65625 -15.50522      23.29427 
1 1 1 -1  32 28 o 103.5156 11.96004 327.6454       71.27490 331.5637       72.53641 217.9263       383.8415 104.0879 12.10819 91.11481 39.34206 12.97311       41.16316 
1 1 1 -1  32 29 o 86.15076 15.99663 236.6138       77.84885 264.7289       79.54500 -401.6400      379.0002 91.50486 15.36653 64.35621 31.32859 27.14865       34.89428 
1 1 1 -1  32 30 o 112.2035 12.96741 389.2386       83.76315 405.1022       85.89295 81.20548       378.4907 114.4661 13.02618 81.11267 36.78460 33.35341       39.02291 
1 1 1 -1  32 31 o 134.3627 11.67660 552.2028       91.09944 557.1982       93.68385 465.3893       390.5427 134.8325 11.97163 102.5710 41.61657 32.26146       43.30426 
1 1 1 -1  32 32 o 38.77456 17.54338 -31.56899      85.48949 5.547050       87.51400 -806.0515      399.7630 43.31947 18.74516 55.65601 27.94027 -12.33654      33.64580 
1 1 1 -1  32 33 o 42.54306 18.80629 -9.058971      92.31591 9.689079       94.68816 -369.2217      415.0181 45.12147 19.51163 65.67254 32.14483 -20.55107      37.60311 
1 1 1 -1  32 34 o 48.55711 20.37359 34.78716       97.91090 61.73458       100.4942 -469.2428      434.6207 52.47857 21.17610 64.06106 31.65368 -11.58249      38.08389 
1 1 1 -1  32 35 o 125.1421 17.67660 513.7236       126.1253 580.7716       131.8777 -204.9151      431.7516 133.4778 17.24952 69.86795 33.87873 63.60988       38.01729 
1 1 1 -1  32 36 o 65.84370 22.61306 148.6530       105.4513 156.8535       108.4410 6.054111       452.2004 67.27606 22.93614 76.29453 36.38515 -9.018471      43.01100 
1 1 1 -1  32 37 o 53.77684 22.49105 56.95871       118.7364 48.38427       121.8835 216.5939       525.9040 53.23486 22.55439 84.09688 39.85632 -30.86202      45.79548 
1 1 1 -1  32 38 o 52.22094 22.63678 31.87200       128.0766 76.50049       131.3181 -838.7892      580.0199 57.29274 23.78222 64.36020 32.48177 -7.067459      40.25742 
1 1 1 -1  33 1  o 239.6721 10.21278 1698.056       143.2238 1557.550       152.7266 2722.896       412.4725 229.2952 11.39283 298.8426 23.72902 -69.54738      26.32229 
1 1 1 -1  33 2  o 214.2002 10.84111 1358.395       135.7469 1284.319       146.9939 1787.647       353.8470 208.0159 12.10129 241.0608 25.41053 -33.04491      28.14491 
1 1 1 -1  33 3  o 108.6044 20.38522 365.3575       125.0740 249.6854       133.7183 1174.235       353.6045 89.22917 24.70800 191.8222 32.59700 -102.5930      40.90293 
1 1 1 -1  33 4  o 231.9833 11.47250 1594.715       155.6023 1594.715       155.6023 0.000000       0.000000 231.9833 11.47250 ?        ?        0.000000       11.47250 
1 1 1 -1  33 5  f 69.27286 24.08666 132.9346       119.7886 -6.117475      128.7497 1028.822       326.8017 52.94501 22.82259 179.3117 32.26215 -126.3667      39.51856 
1 1 1 -1  33 6  o 208.7742 10.84976 1291.096       132.3898 1272.853       143.6541 1393.923       341.0612 207.0836 11.87811 211.1537 28.24930 -4.070175      30.64494 
1 1 1 -1  33 7  o 239.6388 9.698899 1696.991       136.0291 1641.295       147.9043 2002.644       346.4847 235.4621 10.73876 255.8886 23.34462 -20.42647      25.69615 
1 1 1 -1  33 8  f 182.6827 12.00772 992.2008       127.9364 969.0621       136.0840 1168.261       375.3772 180.3285 12.95374 189.5874 35.05119 -9.258896      37.36824 
1 1 1 -1  33 9  o 122.8010 17.51443 460.0619       122.5685 450.4850       130.7185 529.7582       352.6391 121.0798 19.03589 127.0742 41.31167 -5.994362      45.48647 
1 1 1 -1  33 10 o 263.6794 9.338714 2054.244       144.1875 2126.007       156.9145 1664.920       365.4855 268.1050 9.996983 230.6344 27.56587 37.47061       29.32263 
1 1 1 -1  33 11 o 369.3483 8.053642 4019.935       174.4532 4045.136       200.0139 3939.807       356.6530 370.2256 9.211774 362.3169 16.83042 7.908691       19.18645 
1 1 1 -1  33 12 o 59.64144 22.85011 77.71181       111.8176 143.7808       122.8344 -241.8394      270.1415 70.97202 24.40468 62.07238 29.15601 8.899639       38.02185 
1 1 1 -1  33 13 o 204.3827 12.90686 1246.152       153.9188 979.1255       182.8136 1896.328       285.2642 179.7086 17.56980 249.7371 19.63442 -70.02852      26.34783 
1 1 1 -1  33 14 o 183.6666 11.81241 1004.738       126.5641 1002.620       135.0412 1020.032       362.9358 183.2672 12.64155 174.4191 36.64692 8.848083       38.76604 
1 1 1 -1  33 15 o 108.8813 20.01159 369.8656       123.0790 402.4970       131.4214 137.0434       351.0433 113.5480 20.48865 92.96517 38.76080 20.58282       43.84272 
1 1 1 -1  33 16 o 319.4984 7.812842 3009.771       146.3957 2901.082       172.1731 3293.435       278.1457 313.1614 9.385056 331.7922 14.32783 -18.63083      17.12793 
1 1 1 -1  33 17 o 174.3392 11.66109 906.6130       118.5442 824.6606       140.4631 1109.471       220.9923 165.4236 14.62881 189.9575 20.14338 -24.53394      24.89493 
1 1 1 -1  33 18 o 266.9276 8.951419 2108.648       139.9333 2063.420       172.3559 2196.115       239.6873 263.3702 11.18404 270.1178 15.19130 -6.747528      18.86421 
1 1 1 -1  33 19 o 144.2525 13.74759 628.0741       114.9007 623.1809       150.5943 634.8911       177.7495 142.0804 18.51256 142.0027 22.05886 0.7775879E-01  28.79771 
1 1 1 -1  33 20 o 312.5908 7.913116 2888.588       144.9522 3007.536       187.7820 2713.214       228.0118 318.1740 10.07596 300.9147 12.95034 17.25934       16.40842 
1 1 1 -1  33 21 o 186.4654 9.497660 1034.545       103.5219 922.7247       144.7006 1151.784       148.1652 174.4755 14.26560 195.5709 12.99153 -21.09543      19.29475 
1 1 1 -1  33 22 o 203.6422 8.777051 1232.369       104.5794 1265.838       152.6397 1202.758       143.5715 204.9003 12.76548 199.9053 12.30562 4.994965       17.73093 
1 1 1 -1  33 23 o 89.58179 15.28291 250.5019       77.41420 221.8587       140.0515 263.1039       92.89590 82.05364 25.97211 90.87627 18.06635 -8.822632      31.63769 
1 1 1 -1  33 24 o 195.4966 8.678411 1138.214       99.25360 1066.642       150.6148 1193.154       131.9595 187.0386 13.82828 199.0956 11.34830 -12.05693      17.88869 
1 1 1 -1  33 25 o 104.8111 22.33463 363.9791       133.0868 354.0229       144.0095 422.2430       348.3739 102.3327 24.34991 105.5983 40.36357 -3.265572      47.13953 
1 1 1 -1  33 26 o 72.19946 16.59354 167.3576       68.78777 132.2464       144.0412 177.7307       78.29237 68.49064 26.00823 73.98390 18.17682 -5.493263      31.73050 
1 1 1 -1  33 27 o 92.69067 13.41174 266.6232       70.79084 42.84495       135.6823 350.3224       82.98026 56.76867 23.91108 106.3905 13.61036 -49.62188      27.51330 
1 1 1 -1  33 28 f 99.28817 11.55325 301.9011       66.01963 315.4336       67.07045 -119.8469      374.4275 101.5478 11.46192 72.92722 34.27689 28.62059       36.14251 
1 1 1 -1  33 29 o 128.1293 10.33653 497.6261       77.01492 521.5210       78.64305 -61.60989      380.4565 131.2007 10.30314 74.76176 34.95001 56.43893       36.43704 
1 1 1 -1  33 30 o 39.81566 17.36045 -2.713575      76.25197 5.626366       77.61386 -234.1219      408.8343 41.19905 17.73927 70.25083 33.79147 -29.05178      38.16471 
1 1 1 -1  33 31 o 88.28155 17.31233 254.8026       86.43016 274.9494       88.53867 -153.1423      398.4101 91.92143 17.05117 71.37978 34.07207 20.54166       38.10050 
1 1 1 -1  33 32 o 102.1672 15.35469 333.7592       89.16006 352.6103       91.42824 -32.09986      402.7804 105.0994 15.28030 74.90156 35.31181 30.19785       38.47611 
1 1 1 -1  33 33 o 41.84808 18.67999 -16.12810      93.33689 -4.867756      95.88952 -219.2185      407.2302 43.55888 19.21492 68.30877 33.07029 -24.74989      38.24732 
1 1 1 -1  33 34 o 178.3905 10.51516 970.8885       109.5235 951.7959       112.9256 1273.513       449.5861 176.3179 10.97499 153.2195 46.20483 23.09840       47.49038 
1 1 1 -1  33 35 o 87.47697 21.23152 268.5615       107.8098 264.5061       110.5665 346.8607       485.8331 86.41998 21.81602 88.89938 40.83060 -2.479401      46.29338 
1 1 1 -1  33 36 o 52.70872 22.19257 50.02136       116.8091 57.79436       119.7731 -101.2251      528.3326 53.98154 22.58372 75.50850 36.80910 -21.52695      43.18489 
1 1 1 -1  33 37 o 128.1810 17.71043 545.1722       129.5847 561.4144       132.9161 233.2805       582.4472 129.9250 17.92027 84.43745 40.54223 45.48758       44.32616 
1 1 1 -1  34 1  f 45.39330 20.73227 -75.22331      122.9381 -149.2568      129.5779 592.1328       389.0413 41.72083 19.77609 133.3568 43.39427 -91.63593      47.68812 
1 1 1 -1  34 2  o 156.5063 14.96799 735.9119       135.7152 783.0593       144.0834 365.0294       404.1133 161.3709 15.41131 114.5984 43.55230 46.77251       46.19860 
1 1 1 -1  34 3  o 279.5881 10.56419 2313.706       172.9113 2313.706       172.9113 0.000000       0.000000 279.5881 10.56419 ?        ?        0.000000       10.56419 
1 1 1 -1  34 4  o 111.8219 22.21169 391.8843       140.5297 391.8843       140.5297 0.000000       0.000000 111.8219 22.21169 ?        ?        0.000000       22.21169 
1 1 1 -1  34 5  o 191.9112 11.67893 1094.764       130.8257 1075.588       142.4227 1198.335       330.9941 189.9446 12.86086 193.9682 30.06903 -4.023575      32.70395 
1 1 1 -1  34 6  o 81.77551 23.44462 209.4626       118.2467 158.1954       127.2661 533.1776       319.7974 73.67500 24.84998 126.5737 39.12688 -52.89870      46.35121 
1 1 1 -1  34 7  o 330.7989 11.08778 3242.679       214.8053 3390.372       254.3333 2875.191       401.1858 337.6500 12.86712 306.5102 22.47396 31.13983       25.89675 
1 1 1 -1  34 8  o 446.6579 8.713187 5885.015       228.2457 6122.881       263.7347 5175.280       455.5635 455.2109 9.878797 414.0087 18.81157 41.20227       21.24773 
1 1 1 -1  34 9  o 360.4613 8.584472 3832.673       181.4775 3943.302       202.2543 3375.681       411.0711 365.2800 9.449008 332.7484 21.17431 32.53152       23.18696 
1 1 1 -1  34 10 o 116.9943 18.36411 421.5423       121.8591 442.4168       129.6991 264.3697       355.8913 119.6889 19.12013 102.8262 40.38237 16.86261       44.68014 
1 1 1 -1  34 11 o 53.16176 22.34422 18.93714       118.0847 103.7737       128.1058 -460.5585      304.5578 65.52825 24.60609 58.42469 28.35895 7.103558       37.54583 
1 1 1 -1  34 12 o 257.3384 8.908285 1957.583       134.2437 2050.723       150.4203 1593.078       297.5705 263.1864 9.762155 227.1091 22.64252 36.07729       24.65732 
1 1 1 -1  34 13 o 479.5703 8.130514 6783.985       228.6761 6881.675       281.7049 6595.235       391.5725 482.3022 9.959205 469.8101 14.22788 12.49213       17.36716 
1 1 1 -1  34 14 o 38.55075 18.38989 -145.2766      115.6756 -117.0946      122.5562 -375.3286      350.1570 41.99609 19.69809 67.04980 31.98779 -25.05370      37.56638 
1 1 1 -1  34 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  34 16 o 417.1843 8.893701 5145.810       217.6010 5284.964       247.6964 4675.278       455.4760 422.3298 10.00040 390.8088 19.93830 31.52097       22.30569 
1 1 1 -1  34 17 o 46.66018 20.88876 -41.06550      117.6228 -55.01791      141.5807 -9.981014      211.3251 50.47727 22.73124 65.70365 28.76891 -15.22638      36.66550 
1 1 1 -1  34 18 o 282.3035 8.555298 2359.898       141.4818 2464.317       176.0038 2169.194       237.8550 287.8058 10.44462 267.8424 15.20442 19.96344       18.44626 
1 1 1 -1  34 19 o 66.56773 22.16085 134.2658       101.2477 156.1304       134.3246 105.5010       154.0693 72.58519 25.48774 67.90726 26.59940 4.677925       36.83956 
1 1 1 -1  34 20 o 166.0606 10.27515 824.4182       99.58015 957.4485       132.2105 650.0053       151.3840 178.1180 12.74046 144.3347 18.29410 33.78329       22.29334 
1 1 1 -1  34 21 f 195.9547 8.742376 1142.410       100.2169 1205.563       137.7825 1071.468       146.0331 200.1465 11.79027 187.9738 13.33311 12.17271       17.79838 
1 1 1 -1  34 22 o 95.84012 14.36858 284.7104       78.27660 305.2839       121.0844 269.9394       102.5980 96.30006 21.93167 91.28305 19.74005 5.017014       29.50708 
1 1 1 -1  34 23 o 67.53407 17.97624 147.0065       72.45129 275.6821       125.6807 82.96190       88.66692 90.62386 23.46427 55.60593 20.55032 35.01792       31.19114 
1 1 1 -1  34 24 o 87.99760 14.66383 242.4507       73.01608 119.7168       130.7654 298.0526       88.01477 65.68895 24.81798 97.24490 15.98768 -31.55595      29.52182 
1 1 1 -1  34 25 o 269.8051 7.746780 2163.793       122.4537 2191.081       166.4384 2131.590       180.8036 269.9673 10.53237 265.5525 11.63756 4.414825       15.69597 
1 1 1 -1  34 26 f 169.0720 9.285830 857.3103       91.72169 877.7821       147.4152 844.3788       117.1625 168.0703 15.11684 166.5177 12.07927 1.552689       19.35013 
1 1 1 -1  34 27 o 95.78953 13.10942 285.0937       71.71631 208.7195       140.7190 311.8909       83.35358 77.90826 26.12948 99.57082 14.71668 -21.66256      29.98884 
1 1 1 -1  34 28 o 127.4710 9.380373 489.9751       69.63531 500.2668       70.95195 220.3648       363.1512 128.7793 9.460399 86.91797 37.89223 41.86131       39.05535 
1 1 1 -1  34 29 o 92.56132 13.59024 268.7712       71.57902 272.5365       72.83996 162.8348       386.3632 93.15112 13.74560 83.90680 37.68771 9.244316       40.11615 
1 1 1 -1  34 30 o 120.3950 11.16262 444.0170       77.92039 452.2695       79.33987 219.5529       413.7808 121.4696 11.26549 86.49851 38.91434 34.97108       40.51219 
1 1 1 -1  34 31 o 47.03294 18.70526 48.58782       77.24298 51.97804       78.56084 -49.92620      423.4881 47.79821 18.91070 75.17727 35.66883 -27.37906      40.37177 
1 1 1 -1  34 32 o 45.66130 19.08659 30.26289       85.44176 55.47080       87.18832 -580.0850      429.0211 49.54351 19.81667 61.01039 30.36865 -11.46687      36.26231 
1 1 1 -1  34 33 o 80.76048 20.20638 225.2323       95.46173 237.2117       98.40279 33.76605       393.4014 82.81058 20.39753 75.19624 35.27728 7.614342       40.74979 
1 1 1 -1  34 34 o 91.35348 19.78414 286.6406       102.9228 314.2575       105.3347 -295.7977      483.7364 96.05283 19.36803 69.45311 34.13914 26.59972       39.25050 
1 1 1 -1  34 35 o 107.2102 18.86382 388.1443       114.2796 386.9056       116.9741 414.1071       535.5201 106.6268 19.42093 90.30553 41.96422 16.32124       46.24034 
1 1 1 -1  34 36 o 56.13408 22.69723 81.49380       115.7115 113.9765       118.3113 -633.3455      555.0150 60.64894 23.43433 65.83685 33.03317 -5.187908      40.50134 
1 1 1 -1  35 1  f 278.1536 9.749331 2288.950       158.7954 2383.554       170.1173 1648.351       442.6756 283.7220 10.24043 224.5271 34.73817 59.19492       36.21611 
1 1 1 -1  35 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  35 3  o 360.8036 9.675789 3849.292       204.5576 3849.292       204.5576 0.000000       0.000000 360.8036 9.675789 ?        ?        0.000000       9.675789 
1 1 1 -1  35 4  o 223.9038 11.98140 1491.608       156.7599 1491.608       156.7599 0.000000       0.000000 223.9038 11.98140 ?        ?        0.000000       11.98140 
1 1 1 -1  35 5  o 45.63514 20.96918 -85.88507      128.3361 -85.88507      128.3361 0.000000       0.000000 45.63514 20.96918 ?        ?        0.000000       20.96918 
1 1 1 -1  35 6  o 337.0163 9.535248 3358.873       188.2767 3358.873       188.2767 0.000000       0.000000 337.0163 9.535248 ?        ?        0.000000       9.535248 
1 1 1 -1  35 7  o 160.6339 14.53401 776.2922       135.4420 776.2922       135.4420 0.000000       0.000000 160.6339 14.53401 ?        ?        0.000000       14.53401 
1 1 1 -1  35 8  o 37.45175 18.13761 -194.4859      122.7598 -54.78796      130.6285 -1250.355      359.1269 48.56207 21.85453 48.13180 24.43135 0.4302673      32.77974 
1 1 1 -1  35 9  o 117.4899 19.69547 428.8505       130.9132 417.1991       140.4876 505.6961       360.7937 115.2465 21.57831 122.9135 41.83755 -7.667015      47.07445 
1 1 1 -1  35 10 o 208.7268 10.92585 1294.878       133.2814 1304.452       142.8994 1230.847       369.5384 209.2980 11.68809 193.0023 33.88266 16.29568       35.84196 
1 1 1 -1  35 11 o 98.60561 20.74831 306.8123       116.1814 339.7482       125.9765 119.3838       300.5193 103.6809 21.42645 86.53518 35.95377 17.14576       41.85411 
1 1 1 -1  35 12 o 403.3094 8.158985 4801.203       192.9856 5006.449       229.4151 4304.442       356.9095 411.3573 9.509382 377.9721 16.13796 33.38516       18.73131 
1 1 1 -1  35 13 o 179.4439 12.45966 963.8506       130.3106 1014.475       139.4732 616.0895       365.5547 183.9500 13.01225 131.7568 41.99082 52.19321       43.96075 
1 1 1 -1  35 14 o 225.2405 9.752131 1505.983       128.5187 1390.815       145.0326 1927.071       277.3243 215.9266 11.49414 250.7886 18.99641 -34.86197      22.20313 
1 1 1 -1  35 15 f 387.3917 11.00001 4466.377       249.6630 4093.846       294.6305 5415.100       470.1819 369.4207 13.62229 420.4579 19.11748 -51.03714      23.47435 
1 1 1 -1  35 16 o 125.2298 17.44876 485.6965       124.6759 507.9675       132.8236 320.6935       361.5357 127.8145 18.23568 103.6510 40.70281 24.16355       44.60111 
1 1 1 -1  35 17 o 189.1378 12.58613 1076.746       138.8171 1076.746       138.8171 0.000000       0.000000 189.1378 12.58613 ?        ?        0.000000       12.58613 
1 1 1 -1  35 18 o 286.0135 8.217437 2425.503       137.6965 2422.204       168.7167 2432.083       238.2897 285.0155 10.10945 283.2076 14.39383 1.807892       17.58929 
1 1 1 -1  35 19 o 106.6238 17.00702 356.7570       102.7786 374.3453       130.7775 328.3452       166.2146 107.3335 21.52506 98.01423 27.69633 9.319229       35.07727 
1 1 1 -1  35 20 o 247.7345 8.109787 1822.815       117.6686 2031.906       154.6844 1535.644       181.2792 260.6512 10.13830 224.6337 13.82714 36.01752       17.14569 
1 1 1 -1  35 21 o 109.1420 13.90654 367.2858       86.99578 344.3940       126.3505 387.9203       119.9594 102.2649 21.73726 109.8771 19.32056 -7.612122      29.08251 
1 1 1 -1  35 22 o 48.92254 18.74179 56.46451       75.21951 92.56095       125.9082 36.43169       93.79787 61.57721 24.06757 49.24243 20.23631 12.33479       31.44449 
1 1 1 -1  35 23 o 82.84297 16.10467 218.4490       75.42632 166.7658       126.0086 247.3067       94.15785 72.02661 24.71973 87.12962 18.96588 -15.10301      31.15718 
1 1 1 -1  35 24 o 137.7293 9.930768 571.3885       79.67717 503.6716       118.4063 627.4260       107.7124 126.4412 16.34985 143.0560 12.97947 -16.61484      20.87544 
1 1 1 -1  35 25 o 62.00306 17.67853 124.8227       67.41510 106.0211       112.0744 135.4827       84.38944 61.22580 23.00982 64.48585 20.12623 -3.260048      30.56987 
1 1 1 -1  35 26 o 101.1550 12.84710 317.1813       74.49857 194.7722       129.9867 377.0565       90.91086 75.45445 25.10954 109.6559 14.49053 -34.20148      28.99077 
1 1 1 -1  35 27 o 81.24831 15.11892 210.9599       69.39141 128.3363       135.6047 240.2706       80.76721 65.90343 25.18475 86.18336 16.58131 -20.27993      30.15314 
1 1 1 -1  35 28 o 38.96544 15.88877 23.77743       57.26417 17.64203       58.03543 250.0209       352.4193 38.10364 15.81293 86.90393 37.61082 -48.80029      40.79979 
1 1 1 -1  35 29 o 161.6378 8.586909 785.3273       81.10902 783.3609       82.73386 833.9196       411.2755 161.3472 8.776260 125.5026 44.55102 35.84459       45.40723 
1 1 1 -1  35 30 o 58.63345 18.30040 113.0349       69.77181 108.6716       70.71032 274.1422       429.6682 57.69501 18.47664 87.80682 39.56544 -30.11181      43.66705 
1 1 1 -1  35 31 o 42.15531 17.65955 22.55968       73.38402 18.39513       74.47273 161.8807       430.7461 41.79537 17.66530 82.03190 37.95147 -40.23653      41.86140 
1 1 1 -1  35 32 o 99.16203 14.89170 315.5292       83.93133 324.5213       85.56202 86.34618       431.9602 100.5465 14.96530 78.52978 36.88059 22.01674       39.80124 
1 1 1 -1  35 33 o 55.84264 20.37703 96.80573       86.73470 105.8283       88.02574 -204.0337      508.2904 57.52688 20.59026 72.46704 35.49221 -14.94016      41.03238 
1 1 1 -1  35 34 o 58.59594 21.39822 109.6451       95.67300 103.3735       97.04998 325.9654       569.9744 57.66735 21.46470 87.48658 41.47157 -29.81923      46.69716 
1 1 1 -1  35 35 o 56.98052 22.42448 92.80825       109.9430 94.78841       112.0620 41.92865       568.0401 57.44643 22.62985 78.86919 38.38460 -21.42276      44.55881 
1 1 1 -1  36 1  o 247.7632 16.07997 1849.110       232.3915 1849.110       232.3915 0.000000       0.000000 247.7632 16.07997 ?        ?        0.000000       16.07997 
1 1 1 -1  36 2  o 359.6822 8.515360 3818.510       179.6273 3768.766       196.5249 4071.034       442.7891 356.9589 9.395642 365.0335 20.76870 -8.074554      22.79511 
1 1 1 -1  36 3  o 159.9186 15.07131 771.7110       139.6847 771.7110       139.6847 0.000000       0.000000 159.9186 15.07131 ?        ?        0.000000       15.07131 
1 1 1 -1  36 4  o 170.6158 13.41042 872.7469       133.1097 786.4489       143.4025 1409.992       357.8016 161.3551 15.33811 209.2181 30.01911 -47.86302      33.71060 
1 1 1 -1  36 5  o 46.85694 21.26135 -64.28233      126.6584 -64.28233      126.6584 0.000000       0.000000 46.85694 21.26135 ?        ?        0.000000       21.26135 
1 1 1 -1  36 6  f 46.83040 21.09301 -52.08395      121.9756 -153.9580      130.4470 656.7197       344.0846 41.41285 19.69124 137.1730 40.19178 -95.76013      44.75627 
1 1 1 -1  36 7  o 127.6321 17.99806 501.3841       130.9856 458.5358       141.3250 762.4910       348.8685 121.0765 20.64224 147.6606 39.51059 -26.58409      44.57790 
1 1 1 -1  36 8  o 185.0289 12.98665 1025.675       140.0298 970.4544       151.1719 1359.395       371.6308 179.4898 14.48377 203.2229 32.25734 -23.73308      35.35981 
1 1 1 -1  36 9  o 330.3855 8.871885 3229.274       171.7490 3200.497       188.7463 3367.808       414.1262 328.5888 9.805306 330.4620 21.48431 -1.873169      23.61608 
1 1 1 -1  36 10 o 126.9869 17.63698 496.9877       127.8103 413.3703       136.1982 1113.807       369.9150 114.4435 21.06832 180.3219 36.23721 -65.87834      41.91669 
1 1 1 -1  36 11 o 87.98675 22.68824 248.9518       117.8311 319.6168       128.4745 -125.3044      295.6646 99.79955 22.49055 70.04720 32.05259 29.75235       39.15602 
1 1 1 -1  36 12 o 95.58557 20.53250 290.8967       111.6677 313.2172       122.3131 179.1542       273.6719 98.89678 21.68680 87.47392 35.06781 11.42286       41.23189 
1 1 1 -1  36 13 o 186.7804 10.66291 1041.092       116.3188 969.6568       128.8573 1355.493       270.3310 179.7194 12.29955 207.3636 22.59361 -27.64418      25.72451 
1 1 1 -1  36 14 o 122.5613 16.42250 463.9593       115.0757 438.1367       121.0832 704.9892       369.9298 118.4600 17.99374 136.4366 42.06585 -17.97666      45.75271 
1 1 1 -1  36 15 o 99.32160 19.79585 315.2930       111.2611 312.9608       117.4305 335.7555       347.8388 98.50703 20.97037 102.5006 40.02037 -3.993584      45.18171 
1 1 1 -1  36 16 o 84.54046 20.89657 232.4483       103.0084 62.82690       118.9288 741.8262       206.0947 57.48182 23.09209 150.8145 24.11275 -93.33263      33.38667 
1 1 1 -1  36 17 o 81.00701 21.38645 214.9622       103.0816 94.70218       120.2337 548.5797       200.2580 61.68198 23.67859 126.7486 27.71417 -65.06657      36.45203 
1 1 1 -1  36 18 f 123.6364 14.79501 471.8983       105.1509 576.1804       126.5802 239.7079       188.8786 136.1455 16.16838 85.31760 30.20054 50.82791       34.25623 
1 1 1 -1  36 19 o 59.01114 21.71638 96.11069       98.83617 226.7670       118.0601 -209.9925      180.7057 82.35496 23.36615 47.20394 22.64306 35.15102       32.53745 
1 1 1 -1  36 20 o 51.30410 21.18318 38.81672       103.4224 49.25862       158.5863 31.08925       136.4252 61.00661 25.78143 55.96296 23.79213 5.043659       35.08201 
1 1 1 -1  36 21 o 179.6992 9.198773 966.2437       96.62267 915.6678       130.8987 1026.790       143.2214 173.2148 12.97985 183.2304 13.42093 -10.01561      18.67078 
1 1 1 -1  36 22 o 135.2471 11.23917 555.0400       88.34338 438.2806       129.7098 656.0652       120.6540 116.0586 19.76420 145.6618 14.30804 -29.60317      24.39966 
1 1 1 -1  36 23 o 156.6561 9.943897 739.4303       90.88812 686.4510       132.4720 786.5486       124.9298 148.1424 15.47534 159.8550 13.45032 -11.71265      20.50359 
1 1 1 -1  36 24 o 119.9947 11.74549 440.8628       81.60027 280.4364       125.8156 557.3408       107.2059 89.91895 23.57411 133.9998 13.84050 -44.08089      27.33675 
1 1 1 -1  36 25 o 50.50227 18.23393 72.67948       69.20283 63.11388       122.9011 77.12031       83.73969 56.46359 23.17957 53.15921 19.90811 3.304386       30.55528 
1 1 1 -1  36 26 o 56.12503 17.92568 100.7730       66.59007 57.32382       117.2677 121.4507       80.89817 54.79117 22.58314 61.09906 19.78099 -6.307888      30.02143 
1 1 1 -1  36 27 o 219.4366 9.487452 1452.185       121.8096 1466.133       208.9926 1445.009       149.9038 214.3581 16.75727 217.2550 11.80941 -2.896896      20.50044 
1 1 1 -1  36 28 o 50.85738 17.11943 80.31295       60.40099 74.01685       61.09764 351.6875       401.1188 49.51037 17.20284 91.74460 39.91245 -42.23423      43.46195 
1 1 1 -1  36 29 o 32.69245 15.10946 -43.97892      68.01893 -30.18926      69.02499 -506.7129      399.8482 34.42030 15.64862 60.38263 29.92985 -25.96233      33.77388 
1 1 1 -1  36 30 o 108.4957 12.28285 366.6348       76.78287 373.2608       78.01971 162.6066       432.9342 109.4358 12.37285 81.82787 37.92354 27.60791       39.89088 
1 1 1 -1  36 31 o 97.86237 13.78664 304.2289       76.93681 300.8810       77.91001 435.7326       488.2871 97.15739 14.08321 92.57273 41.90137 4.584656       44.20478 
1 1 1 -1  36 32 o 120.2374 12.43174 451.8394       86.40126 457.9554       87.95858 283.6940       461.1958 120.9663 12.58196 85.27535 39.38764 35.69098       41.34842 
1 1 1 -1  36 33 o 34.98598 16.39420 -64.91190      84.54436 -33.28375      85.52921 -1414.600      558.7201 38.05445 17.34673 56.58018 28.88133 -18.52573      33.69036 
1 1 1 -1  37 1  o 289.5332 9.282640 2483.129       157.4196 2307.594       168.9962 3634.273       432.7724 278.7576 10.35512 343.0662 21.61948 -64.30856      23.97145 
1 1 1 -1  37 2  o 276.2384 10.30496 2266.002       166.6552 2266.002       166.6552 0.000000       0.000000 276.2384 10.30496 ?        ?        0.000000       10.30496 
1 1 1 -1  37 3  o 117.3159 20.75286 433.0218       137.5629 433.0218       137.5629 0.000000       0.000000 117.3159 20.75286 ?        ?        0.000000       20.75286 
1 1 1 -1  37 4  f 134.9874 17.15638 559.3696       132.7575 543.7822       142.0813 666.5754       372.6141 132.4786 18.81548 135.9053 42.27148 -3.426727      46.26986 
1 1 1 -1  37 5  o 144.5905 15.09313 634.8483       126.1056 551.4268       135.4804 1175.811       345.0017 133.7809 17.70157 187.6787 32.52188 -53.89784      37.02726 
1 1 1 -1  37 6  o 263.7807 9.436261 2063.603       145.7449 2040.790       157.7202 2196.948       381.3133 262.0405 10.28282 263.5918 24.96352 -1.551300      26.99841 
1 1 1 -1  37 7  o 124.8642 29.40582 520.4640       211.7586 520.4640       211.7586 0.000000       0.000000 124.8642 29.40582 ?        ?        0.000000       29.40582 
1 1 1 -1  37 8  o 165.6614 13.77834 828.6183       132.6549 774.1270       141.2672 1235.084       385.8246 159.5559 15.28317 188.7777 36.16507 -29.22183      39.26179 
1 1 1 -1  37 9  o 52.22898 22.19438 14.80639       118.6228 58.28836       124.4690 -415.7185      391.6570 58.29588 23.55154 69.11771 33.20186 -10.82183      40.70674 
1 1 1 -1  37 10 o 220.2511 10.62253 1447.447       136.8088 1593.388       146.3312 434.3277       385.5480 231.0341 10.82981 112.5658 42.59531 118.4683       43.95048 
1 1 1 -1  37 11 o 39.89665 18.60013 -88.37340      106.5653 -73.57812      115.7974 -170.2189      272.3544 43.19503 19.87371 63.79483 29.73960 -20.59980      35.76882 
1 1 1 -1  37 12 o 76.36294 22.53942 188.4530       107.8768 213.7514       118.7747 69.26055       257.8108 80.92782 23.58645 75.86470 32.49238 5.063118       40.15066 
1 1 1 -1  37 13 o 117.5284 15.95712 428.3003       107.1503 394.8679       116.8857 604.2876       268.1748 111.7664 18.47704 129.0900 34.68526 -17.32362      39.29972 
1 1 1 -1  37 14 o 119.5533 15.81966 443.5535       108.2003 341.8329       119.7041 897.7775       252.9528 102.7847 20.57620 163.4032 27.36194 -60.61858      34.23530 
1 1 1 -1  37 15 o 34.96988 16.95629 -166.4559      108.1335 -187.6286      113.5166 41.03361       355.3605 35.10264 17.10084 81.66284 36.45086 -46.56020      40.26294 
1 1 1 -1  37 16 o 129.7379 13.68549 516.0058       102.5634 494.7823       119.0937 576.9370       201.7899 125.7822 16.54509 129.6115 27.40443 -3.829353      32.01160 
1 1 1 -1  37 17 o 242.8277 8.298260 1754.618       118.0041 1723.842       139.0505 1833.833       223.0839 239.9480 9.902369 243.7737 15.68709 -3.825760      18.55105 
1 1 1 -1  37 18 o 234.4843 8.289572 1637.128       113.8185 1618.539       134.5068 1684.003       213.5915 232.4037 9.891107 233.3295 15.69999 -0.9257813     18.55596 
1 1 1 -1  37 19 o 196.3674 9.278092 1154.009       106.5488 1154.416       128.0414 1153.093       192.1322 195.4995 11.21451 191.6320 17.28097 3.867493       20.60090 
1 1 1 -1  37 20 o 41.78973 18.45217 -13.67202      88.62907 70.76538       115.3844 -135.1838      138.4168 56.98723 22.79591 42.99698 20.39805 13.99025       30.58977 
1 1 1 -1  37 21 o 154.3001 10.45352 719.5003       94.03892 760.7772       126.8826 669.1927       140.0764 156.9196 13.93179 145.4951 16.71947 11.42456       21.76317 
1 1 1 -1  37 22 o 81.46444 20.20120 222.5149       96.03791 355.7186       160.1633 147.7340       120.0052 99.43315 26.84357 67.89328 24.06880 31.53987       36.05391 
1 1 1 -1  37 23 o 131.1866 10.84654 523.6600       82.70581 399.9499       115.3747 654.4279       118.6202 110.8056 18.39911 145.0066 14.12718 -34.20096      23.19708 
1 1 1 -1  37 24 o 103.1897 13.21386 331.8624       78.13531 351.6251       124.0214 318.8556       100.6142 101.7420 21.46108 98.72443 18.04201 3.017609       28.03733 
1 1 1 -1  37 25 o 54.33317 18.62115 91.44253       71.49656 23.52938       130.4733 120.5871       85.47186 52.94553 22.89935 60.99072 20.36264 -8.045193      30.64340 
1 1 1 -1  37 26 o 77.77837 16.64571 198.4611       73.63640 96.12383       131.9073 244.7911       88.75307 60.80665 24.35661 85.79862 18.20263 -24.99197      30.40691 
1 1 1 -1  37 27 o 180.2189 10.22517 987.2469       107.6307 1300.746       215.0641 882.4914       124.3192 199.2096 18.62389 168.7865 12.65090 30.42310       22.51431 
1 1 1 -1  37 28 o 69.99550 15.64044 160.5874       62.58598 166.7370       63.38672 -78.21658      394.9962 71.37679 15.58054 71.49852 34.07225 -0.1217270     37.46560 
1 1 1 -1  37 29 o 117.9732 10.65030 427.0595       72.89510 441.3377       73.93915 -67.83971      435.3080 119.9579 10.61940 73.59281 35.25960 46.36505       36.82405 
1 1 1 -1  37 30 o 72.92908 17.20693 178.4534       72.39913 174.8192       73.29796 323.9164       463.7258 72.02502 17.52210 87.26115 40.00873 -15.23614      43.67748 
1 1 1 -1  37 31 f 108.3106 13.20607 370.4968       82.15475 381.4000       83.17715 -64.85464      525.5891 109.9357 13.16203 76.02415 36.98241 33.91158       39.25478 
1 1 1 -1  37 32 o 60.69452 20.64541 124.3072       87.85442 119.8456       89.05346 286.6509       537.1854 59.90749 20.77148 85.26771 40.37296 -25.36022      45.40298 
1 1 1 -1  38 1  o 110.6692 20.42260 389.0899       127.6706 389.0899       127.6706 0.000000       0.000000 110.6692 20.42260 ?        ?        0.000000       20.42260 
1 1 1 -1  38 2  o 107.1670 20.39074 365.4554       123.4766 318.3639       130.4808 769.0899       382.0054 98.98547 22.92730 142.5732 42.49831 -43.58776      48.28838 
1 1 1 -1  38 3  o 126.3437 17.23211 494.6829       124.3614 451.6525       131.6411 851.7849       379.2277 119.7892 19.40100 150.6080 41.57306 -30.81880      45.87721 
1 1 1 -1  38 4  o 111.6330 19.39145 393.7147       122.3519 341.6379       129.1564 849.2497       381.9922 102.8100 22.07985 149.8419 41.86190 -47.03197      47.32798 
1 1 1 -1  38 5  o 39.23803 18.60488 -125.8169      114.8533 -125.8169      114.8533 0.000000       0.000000 39.23803 18.60488 ?        ?        0.000000       18.60488 
1 1 1 -1  38 6  o 47.31647 21.12584 -34.01273      119.4516 -56.25630      126.0894 160.7216       373.0762 46.79762 21.22614 91.93256 39.22286 -45.13494      44.59801 
1 1 1 -1  38 7  o 31.13822 15.57334 -312.2459      118.7658 -344.0612      125.3285 -32.10227      371.8964 31.46345 15.77393 81.06885 36.64340 -49.60540      39.89431 
1 1 1 -1  38 8  o 117.1765 17.19374 428.7223       114.6446 384.9009       120.0125 885.9702       387.6676 110.0696 19.29426 150.8525 42.18177 -40.78291      46.38502 
1 1 1 -1  38 9  o 62.07732 22.96633 104.1466       110.7927 107.4041       116.3203 72.29534       363.7285 63.18868 23.50326 85.02457 37.46824 -21.83590      44.22977 
1 1 1 -1  38 10 o 72.63982 23.34583 168.7739       112.8175 171.8657       119.4942 143.4032       342.3002 73.41883 24.05985 87.15385 37.38586 -13.73502      44.45873 
1 1 1 -1  38 11 o 175.3783 11.76439 927.8226       120.3029 987.5894       132.2557 641.2857       289.5843 180.6126 12.56412 130.6552 36.42894 49.95749       38.53472 
1 1 1 -1  38 12 o 137.6037 13.81278 579.7654       109.9650 613.5536       121.1577 421.8239       261.9490 141.1343 14.86028 106.8203 35.64732 34.31404       38.62071 
1 1 1 -1  38 13 o 49.69798 21.05948 20.04703       106.2924 -24.33887      116.3731 243.4581       261.0853 47.08851 20.94882 88.44865 34.63190 -41.36015      40.47495 
1 1 1 -1  38 14 f 81.52271 23.15763 222.3314       115.8929 238.4793       122.3961 82.37315       360.3376 84.18246 23.75960 83.21429 36.95075 0.9681702      43.93036 
1 1 1 -1  38 15 o 102.8683 19.58877 343.3605       113.8638 374.6519       119.9782 59.62229       361.2843 107.4754 19.76258 81.67788 36.58409 25.79749       41.58071 
1 1 1 -1  38 16 o 120.4330 14.58493 449.8935       100.9185 381.4252       116.0921 661.6626       204.1686 108.7981 18.87831 139.1912 25.96563 -30.39302      32.10303 
1 1 1 -1  38 17 o 129.0313 13.54358 512.7532       100.9636 577.0629       117.7524 334.2257       196.1933 136.2562 14.98236 95.85175 30.78485 40.40449       34.23709 
1 1 1 -1  38 18 o 64.63403 21.46448 133.5407       94.99764 130.5580       110.2299 142.1516       187.2890 65.03162 23.06638 72.57146 29.03848 -7.539848      37.08492 
1 1 1 -1  38 19 o 119.2315 14.01617 441.9783       96.14037 477.3233       114.9486 359.6923       175.3892 122.7478 16.37576 99.29633 28.57958 23.45150       32.93869 
1 1 1 -1  38 20 o 117.0981 13.48657 425.6987       90.92972 364.0156       111.1919 550.2300       157.9899 105.5920 18.63634 128.1509 21.80116 -22.55888      28.68107 
1 1 1 -1  38 21 o 45.36533 19.14709 21.34970       87.28874 56.78432       118.1406 -21.24936      129.5345 55.03836 22.67420 48.98218 21.92516 6.056179       31.54096 
1 1 1 -1  38 22 o 173.3215 9.281370 904.4507       94.00013 1044.550       128.1017 741.0078       138.3630 184.7926 11.88305 153.2069 15.61708 31.58571       19.62397 
1 1 1 -1  38 23 o 62.71532 19.42228 129.9957       78.75795 121.8708       115.9736 136.9499       107.2933 63.13678 23.47123 64.94431 22.78124 -1.807529      32.70907 
1 1 1 -1  38 24 o 56.86057 19.55628 102.0516       78.87750 -45.49094      123.5658 203.5190       102.4714 45.45685 20.77036 76.57713 21.78300 -31.12028      30.09829 
1 1 1 -1  38 25 o 129.6443 19.65489 560.9492       144.7623 668.6429       157.4026 -29.93008      368.6941 141.8889 19.42470 72.41532 34.02912 69.47356       39.18290 
1 1 1 -1  38 26 o 80.88064 15.21026 211.8891       69.50163 180.8252       117.7506 228.4977       86.09949 71.62071 23.90010 82.48080 18.27979 -10.86008      30.08930 
1 1 1 -1  38 27 o 67.15742 17.10643 150.6592       67.55218 -16.68390      118.9506 230.3213       82.07077 46.65009 20.93583 83.21130 17.37884 -36.56121      27.20906 
1 1 1 -1  38 28 o 74.38409 15.45109 181.2262       65.19924 183.8770       65.98099 71.34013       424.8082 74.90189 15.53036 77.11971 36.32894 -2.217819      39.50929 
1 1 1 -1  38 29 o 37.38208 16.46056 -5.576212      70.07319 9.130740       70.89461 -629.2266      461.6602 39.49962 16.98011 61.11912 30.58807 -21.61950      34.98506 
1 1 1 -1  38 30 o 80.35445 16.73147 215.0118       76.28279 202.5566       77.13306 770.6236       515.1712 77.58962 17.38277 105.0820 45.47581 -27.49242      48.68480 
1 1 1 -1  38 31 f 42.78358 18.35888 16.11628       82.59647 9.266830       83.52266 319.8264       556.1684 42.12100 18.26934 85.64991 40.70643 -43.52891      44.61818 
1 1 1 -1  39 1  o 74.96165 23.46315 181.7354       114.6068 166.0909       121.3627 310.6323       348.3577 72.58930 24.26473 99.04204 39.61236 -26.45274      46.45338 
1 1 1 -1  39 2  o 150.3712 14.22070 691.1893       123.9212 722.8524       132.5018 470.1981       350.0519 153.5019 14.90572 111.8860 40.91938 41.61592       43.54970 
1 1 1 -1  39 3  f 179.6454 12.28832 974.9696       128.6874 893.2075       136.3972 1637.483       388.2638 171.3067 13.69012 217.6185 31.32251 -46.31181      34.18361 
1 1 1 -1  39 4  o 178.5881 13.51059 969.8346       140.4571 969.8346       140.4571 0.000000       0.000000 178.5881 13.51059 ?        ?        0.000000       13.51059 
1 1 1 -1  39 5  o 95.48349 22.20506 300.5553       121.9875 300.5553       121.9875 0.000000       0.000000 95.48349 22.20506 ?        ?        0.000000       22.20506 
1 1 1 -1  39 6  o 64.46801 23.80186 116.2225       118.8938 52.89485       124.3496 790.7694       405.8388 56.81307 23.31861 137.5312 44.28627 -80.71814      50.05029 
1 1 1 -1  39 7  o 69.42947 23.96608 149.2519       118.4977 179.8521       123.9259 -177.2714      404.8158 74.61161 24.50478 76.03670 35.70761 -1.425087      43.30725 
1 1 1 -1  39 8  o 47.15010 20.73942 -12.49685      110.9618 18.13980       115.5540 -375.1335      397.5577 51.25717 21.84764 68.53490 33.05573 -17.27773      39.62324 
1 1 1 -1  39 9  o 166.5874 12.37345 841.8987       120.0249 891.4415       127.0103 428.3083       366.9729 171.2753 12.73541 106.4530 41.23433 64.82230       43.15623 
1 1 1 -1  39 10 o 150.3385 14.26798 694.7803       124.2949 728.3830       132.4942 448.2197       358.8989 153.6503 14.88965 107.5227 41.00055 46.12763       43.62048 
1 1 1 -1  39 11 o 74.52304 22.42592 183.4754       105.9912 179.4921       114.3442 207.7899       282.5019 73.89713 23.47711 85.88013 35.18672 -11.98300      42.29988 
1 1 1 -1  39 12 o 123.0290 15.39524 471.7630       108.6572 444.6120       118.7995 610.7150       268.7534 118.3152 17.66072 126.4175 35.03698 -8.102264      39.23634 
1 1 1 -1  39 13 o 160.8216 12.20363 786.5326       114.2431 815.6083       126.5649 658.6403       265.4423 163.2239 13.33764 132.0268 34.05749 31.19716       36.57602 
1 1 1 -1  39 14 o 179.2586 11.73421 974.6970       122.6847 1049.292       142.7521 763.9125       239.9645 185.1963 13.23030 146.9474 28.87447 38.24892       31.76123 
1 1 1 -1  39 15 o 89.19855 20.31805 263.9243       103.9063 139.7985       118.4601 678.0204       216.3672 67.06212 23.89906 138.9172 27.53076 -71.85510      36.45692 
1 1 1 -1  39 16 o 105.7583 18.31285 362.1152       109.4733 371.8177       114.7947 264.6822       363.7746 106.8165 19.02198 91.08837 38.79255 15.72810       43.20530 
1 1 1 -1  39 17 o 94.69823 18.02528 291.9909       96.45338 247.4004       111.9374 420.5537       190.0692 85.09295 22.20041 106.4312 29.45241 -21.33824      36.88228 
1 1 1 -1  39 18 o 92.58823 18.37585 281.1513       96.26028 330.9783       110.4751 124.0415       196.1705 100.0142 19.53539 70.55659 29.15742 29.45758       35.09682 
1 1 1 -1  39 19 o 46.77195 19.90292 19.66867       95.62074 13.07890       111.3969 38.11738       186.3893 48.96473 21.16838 62.03932 27.09462 -13.07458      34.38342 
1 1 1 -1  39 20 o 192.6543 9.475641 1118.442       106.7341 1180.507       131.6636 999.4716       182.2893 196.7296 11.46121 176.1669 17.89148 20.56274       21.24769 
1 1 1 -1  39 21 o 99.23685 16.25019 317.1486       91.30575 362.1707       119.0090 252.7285       142.3566 103.7836 20.27985 83.52048 26.15103 20.26311       33.09303 
1 1 1 -1  39 22 o 121.9787 12.62590 461.7376       89.01837 376.2847       118.4878 572.4721       134.8813 105.8870 19.80805 132.5949 17.79375 -26.70789      26.62661 
1 1 1 -1  39 23 o 90.97998 16.14330 268.7264       82.98239 209.4664       113.7085 336.2479       121.3760 76.90253 23.24689 98.58903 21.59121 -21.68650      31.72693 
1 1 1 -1  39 24 o 60.49229 18.86960 121.8944       74.19100 92.89063       110.6358 145.5948       100.0107 57.83395 22.57340 65.49680 22.02869 -7.662857      31.54079 
1 1 1 -1  39 25 o 88.73089 13.95929 250.8439       70.24535 351.0832       110.8761 183.6316       90.79109 102.0269 19.23514 72.80702 20.43332 29.21991       28.06263 
1 1 1 -1  39 26 o 154.2949 9.106993 720.7854       82.04295 637.0745       117.9770 799.1799       114.1692 141.7422 14.39142 160.5224 12.21907 -18.78017      18.87906 
1 1 1 -1  39 27 o 105.8203 22.17335 396.3632       133.1989 373.1007       138.2447 697.6962       497.5587 101.3201 23.69086 103.0560 44.64516 -1.735832      50.54154 
1 1 1 -1  39 28 o 128.0050 9.643054 499.6952       71.85996 496.4641       72.70363 636.4987       473.0723 127.5101 9.797176 100.2945 43.49047 27.21558       44.58033 
1 1 1 -1  39 29 o 96.81254 30.02324 388.6080       188.1215 305.6621       199.9098 1030.340       556.0494 85.45296 30.97201 114.2610 48.28082 -28.80807      57.36116 
1 1 1 -1  40 1  o 115.0540 20.06228 428.1307       130.4536 428.1307       130.4536 0.000000       0.000000 115.0540 20.06228 ?        ?        0.000000       20.06228 
1 1 1 -1  40 2  o 130.8606 18.18263 542.9517       135.7810 542.9517       135.7810 0.000000       0.000000 130.8606 18.18263 ?        ?        0.000000       18.18263 
1 1 1 -1  40 3  f 81.87365 24.26236 225.5539       124.7963 225.5539       124.7963 0.000000       0.000000 81.87365 24.26236 ?        ?        0.000000       24.26236 
1 1 1 -1  40 4  o 94.95266 23.81303 304.8699       132.3567 271.1370       140.4213 573.4964       396.2603 88.98291 25.56031 116.7839 43.39121 -27.80103      50.35997 
1 1 1 -1  40 5  o 116.7250 19.35740 438.6265       127.8738 445.2818       135.8089 386.6153       379.6583 116.9974 20.54155 102.5226 41.23354 14.47478       46.06691 
1 1 1 -1  40 6  o 69.85107 23.56926 155.8202       114.4860 116.9623       119.7247 570.9244       391.3112 64.19273 23.85083 116.2019 43.12989 -52.00918      49.28539 
1 1 1 -1  40 7  o 100.4389 21.09459 332.7940       120.2974 335.6329       125.2703 299.1520       431.2380 100.4868 21.87814 97.88457 41.97528 2.602234       47.33473 
1 1 1 -1  40 8  o 167.6161 12.21047 853.8880       119.2092 840.8405       124.8164 989.3974       402.2460 165.9760 12.92440 152.2855 43.10416 13.69054       45.00009 
1 1 1 -1  40 9  o 147.9070 13.78819 672.8242       118.2263 686.6730       123.5575 522.6493       406.8747 149.1759 14.29756 111.1951 43.32120 37.98081       45.61958 
1 1 1 -1  40 10 o 58.89085 23.43477 78.74859       121.3100 52.12276       127.5617 330.5876       392.3107 56.56232 23.45585 97.54145 40.84446 -40.97913      47.10040 
1 1 1 -1  40 11 o 115.6119 17.20080 425.4858       113.0807 436.6272       122.1408 358.6353       299.1881 116.4528 18.50197 97.41167 37.36287 19.04115       41.69301 
1 1 1 -1  40 12 o 86.48972 21.59456 252.0266       109.1947 202.2732       118.3107 538.0667       283.6786 77.18419 23.78792 114.9712 37.02628 -37.78699      44.00920 
1 1 1 -1  40 13 o 82.78075 22.34828 233.4476       111.0113 146.5816       122.7769 622.6230       259.8751 68.08398 24.32319 126.0745 34.26027 -57.99054      42.01647 
1 1 1 -1  40 14 o 112.3230 17.02494 404.1629       108.6403 457.9876       120.6247 172.9509       250.0059 119.2487 17.79123 78.73658 32.75998 40.51209       37.27927 
1 1 1 -1  40 15 o 48.48138 21.05576 8.023798       111.2436 -2.036946      115.8452 127.1681       398.6573 48.30945 21.22210 83.67468 37.86863 -35.36523      43.40979 
1 1 1 -1  40 16 o 140.5362 12.60738 608.1614       102.8085 432.4635       116.4626 1228.429       218.8230 115.6380 17.73780 194.2994 19.46491 -78.66135      26.33462 
1 1 1 -1  40 17 o 88.71075 19.57345 263.2160       99.09946 300.6945       112.3983 132.3564       210.0252 94.22731 20.88784 71.90540 29.98072 22.32191       36.53964 
1 1 1 -1  40 18 o 60.64636 21.64055 114.7056       97.15923 104.4787       109.4976 152.5676       210.6854 60.05127 22.70529 73.41221 30.26527 -13.36094      37.83539 
1 1 1 -1  40 19 o 73.13872 21.40271 183.8561       97.62591 176.7709       111.7185 206.7451       200.8002 71.59454 23.25084 77.72311 30.38937 -6.128571      38.26376 
1 1 1 -1  40 20 o 80.20534 20.21221 219.9950       95.02439 220.4106       114.3509 219.0675       170.8187 78.95501 23.17976 77.98123 28.57406 0.9737778      36.79373 
1 1 1 -1  40 21 o 90.53593 17.31707 269.9734       88.59936 247.9384       109.8270 311.0388       149.9303 84.07823 22.01685 91.33816 26.46502 -7.259926      34.42585 
1 1 1 -1  40 22 o 149.5788 10.69206 684.2410       93.17691 654.2521       122.0807 726.0877       144.2110 143.6780 14.69467 149.8543 16.69187 -6.176331      22.23852 
1 1 1 -1  40 23 o 134.2318 10.93491 553.1129       85.33867 500.0307       112.8392 624.0453       130.4391 124.6451 15.78975 139.0059 16.31002 -14.36087      22.70095 
1 1 1 -1  40 24 o 48.72528 18.24389 66.25549       70.31709 57.44137       101.8820 74.27347       97.17185 51.73320 21.15591 53.44425 21.06681 -1.711052      29.85604 
1 1 1 -1  40 25 o 70.42727 17.28079 166.9392       70.83202 133.7924       104.0556 195.5609       96.69242 63.08692 22.40762 74.41892 21.15678 -11.33200      30.81738 
1 1 1 -1  40 26 o 131.5123 13.92867 548.5568       105.7992 517.2844       107.7882 1372.561       553.2924 127.1217 14.73006 136.1305 51.13290 -9.008774      53.21229 
1 1 1 -1  40 27 f 42.68399 15.99511 48.78896       54.07380 50.65651       54.28454 -190.3451      614.2726 43.11818 16.05255 75.82037 37.49472 -32.70219      40.78650 
1 1 1 -1  41 1  o 74.94091 25.44210 185.3799       133.4132 185.3799       133.4132 0.000000       0.000000 74.94091 25.44210 ?        ?        0.000000       25.44210 
1 1 1 -1  41 2  o 118.9380 18.83781 455.7188       127.0288 484.7168       133.8353 192.1826       403.4659 122.4891 19.26590 89.89453 39.54376 32.59457       43.98731 
1 1 1 -1  41 3  o 115.2486 19.94011 433.0289       129.8998 287.8235       137.5891 1624.291       394.0910 91.20460 24.98814 210.1659 33.06396 -118.9613      41.44433 
1 1 1 -1  41 4  o 132.1628 17.61462 555.5916       133.1351 545.8153       140.8478 637.5944       407.9230 130.1732 19.00989 118.7060 44.04024 11.46719       47.96790 
1 1 1 -1  41 5  o 131.4606 22.45083 575.6926       166.8826 477.9523       186.1362 976.1750       376.7784 115.9211 27.74841 151.7946 41.25388 -35.87355      49.71777 
1 1 1 -1  41 6  o 78.19607 23.47068 207.6411       116.2072 194.6945       122.2865 328.2251       373.2029 75.95354 24.29535 95.97885 39.98732 -20.02531      46.78942 
1 1 1 -1  41 7  f 148.8586 14.39686 687.1233       124.1207 703.5981       131.9346 560.2679       366.1030 150.1962 15.18624 112.8914 41.75136 37.30485       44.42744 
1 1 1 -1  41 8  o 149.9306 13.47525 693.0298       117.2262 702.5881       121.8278 573.6237       430.5959 150.7133 13.94097 111.4879 44.22068 39.22533       46.36615 
1 1 1 -1  41 9  o 112.8285 18.04412 411.0809       115.3790 449.3774       119.7441 -85.65946      431.2598 118.1793 17.83113 77.74718 36.61811 40.43216       40.72881 
1 1 1 -1  41 10 o 164.3119 13.44486 833.2321       128.4295 867.2279       134.0454 452.8252       448.3975 167.4467 13.77136 102.2978 43.29712 65.14886       45.43447 
1 1 1 -1  41 11 o 57.35751 22.53754 81.94958       110.9031 33.33854       118.1543 441.9210       321.5261 52.40582 22.20506 101.9926 38.82745 -49.58683      44.72847 
1 1 1 -1  41 12 o 42.74597 19.43801 -41.51437      106.5747 13.38670       114.1590 -413.9992      297.3541 49.52359 21.41962 54.61369 26.82918 -5.090103      34.33082 
1 1 1 -1  41 13 o 73.11491 22.83513 182.5847       108.6154 153.8655       116.7001 368.5780       296.9843 68.39398 23.77453 95.37536 37.05270 -26.98138      44.02421 
1 1 1 -1  41 14 o 56.65654 22.04947 83.52548       105.3142 37.89041       114.5728 332.1428       267.4223 52.11583 21.96305 91.75164 35.28995 -39.63581      41.56628 
1 1 1 -1  41 15 o 52.08513 21.42951 50.43840       105.3449 14.45256       117.2404 201.2645       240.0213 49.92340 21.64935 79.18606 32.43753 -29.26266      38.99856 
1 1 1 -1  41 16 o 77.20961 22.59842 207.8128       108.8296 331.4868       125.6311 -164.0234      217.8382 97.73679 22.39806 53.31077 25.37624 44.42602       33.84711 
1 1 1 -1  41 17 o 93.06360 19.61261 291.8862       103.6634 286.1825       120.0668 308.5877       205.4561 90.25889 22.70562 88.66224 31.48690 1.596649       38.81971 
1 1 1 -1  41 18 o 51.98593 21.01301 59.30906       99.13935 -4.491445      111.7730 294.6425       214.6678 46.73391 20.67453 86.50201 31.97449 -39.76810      38.07629 
1 1 1 -1  41 19 o 51.01933 20.87197 52.93325       99.21272 51.37881       112.9219 58.19446       207.7468 52.82425 22.00089 64.33035 28.33397 -11.50610      35.87273 
1 1 1 -1  41 20 o 146.4454 12.12366 663.9370       103.1940 741.9484       124.7351 494.7375       183.7002 153.5385 14.00633 114.1300 27.72318 39.40856       31.06046 
1 1 1 -1  41 21 o 76.00317 20.33182 200.3257       92.39570 344.0206       120.9366 -1.148619      143.2014 99.41349 21.37815 51.86507 23.14551 47.54842       31.50777 
1 1 1 -1  41 22 o 161.5685 9.908626 794.8123       93.43871 797.4960       122.7529 791.1151       144.0789 159.5748 13.23543 156.7842 15.88834 2.790573       20.67888 
1 1 1 -1  41 23 o 59.35862 20.15948 117.1464       83.76361 130.1171       117.5350 103.7594       119.4065 63.11787 23.59624 59.58741 23.39406 3.530460       33.22747 
1 1 1 -1  41 24 o 34.92780 16.05535 -39.53607      75.33587 75.54294       113.2606 -130.8515      100.8911 55.21646 22.40848 34.28470 16.56479 20.93176       27.86632 
1 1 1 -1  41 25 o 42.44938 17.29664 33.89429       67.80151 -33.70361      101.2641 88.82262       91.28246 41.41729 18.87788 54.71796 20.72136 -13.30067      28.03122 
1 1 1 -1  41 26 o 55.35020 17.13963 101.9703       61.33521 -2.983221      93.36231 181.6624       81.35439 42.68686 18.88917 72.41050 18.94322 -29.72364      26.75157 
1 1 1 -1  42 1  o 109.8110 22.67442 410.7137       141.1877 410.7137       141.1877 0.000000       0.000000 109.8110 22.67442 ?        ?        0.000000       22.67442 
1 1 1 -1  42 2  o 53.89917 23.36317 19.09922       136.4151 19.09922       136.4151 0.000000       0.000000 53.89917 23.36317 ?        ?        0.000000       23.36317 
1 1 1 -1  42 3  f 216.4338 11.99446 1429.054       151.6542 1429.054       151.6542 0.000000       0.000000 216.4338 11.99446 ?        ?        0.000000       11.99446 
1 1 1 -1  42 4  o 127.8466 19.45205 535.0243       141.2571 535.0243       141.2571 0.000000       0.000000 127.8466 19.45205 ?        ?        0.000000       19.45205 
1 1 1 -1  42 5  o 217.0079 11.47210 1432.642       145.4868 1445.201       155.0711 1340.361       420.3493 217.4424 12.20910 175.6104 41.47961 41.83202       43.23911 
1 1 1 -1  42 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  42 7  o 155.7606 14.29795 755.8298       129.1557 680.1306       136.4954 1403.463       399.2425 146.5278 16.15116 184.6113 38.13728 -38.08345      41.41632 
1 1 1 -1  42 8  o 109.8595 19.08263 396.8276       118.4907 394.6341       123.4914 422.2769       420.6433 108.9495 20.06599 99.09742 41.93884 9.852066       46.49205 
1 1 1 -1  42 9  o 46.86903 21.16074 -32.07206      123.6051 -46.78504      129.0101 132.5629       431.5532 46.67712 21.28777 84.52963 38.69627 -37.85252      44.16527 
1 1 1 -1  42 10 o 44.51603 20.49166 -59.93900      123.3249 -53.16363      128.0070 -147.5076      460.1942 45.93066 21.04456 75.71005 36.26853 -29.77940      41.93185 
1 1 1 -1  42 11 o 80.09921 22.99639 224.1368       113.6917 237.8583       120.9667 120.2417       332.8604 82.13744 23.76355 78.53225 35.14975 3.605186       42.42889 
1 1 1 -1  42 12 o 63.63670 23.68494 124.6696       118.1614 170.5298       127.7326 -147.3958      311.1147 70.92929 24.85843 64.33963 30.53999 6.589661       39.37807 
1 1 1 -1  42 13 o 51.41859 21.82625 34.36996       114.5071 -1.927161      124.0163 244.1957       298.1757 49.30098 21.79533 83.85785 35.39059 -34.55687      41.56357 
1 1 1 -1  42 14 o 46.99004 21.00246 -15.40261      118.3936 17.45765       122.7828 -450.5210      446.7925 50.86211 22.10502 65.67480 32.38388 -14.81269      39.20903 
1 1 1 -1  42 15 o 34.53686 16.88849 -184.5537      113.7374 -218.0105      130.4932 -78.79237      232.0113 36.44220 17.87613 58.72736 27.40100 -22.28516      32.71652 
1 1 1 -1  42 16 o 44.78875 20.40687 -38.48645      118.1897 -71.42168      122.9617 361.3077       428.4080 43.16409 20.07509 91.24661 40.41570 -48.08252      45.12691 
1 1 1 -1  42 17 o 79.66398 21.76899 223.5113       104.5804 274.2365       123.6683 96.17306       195.9411 87.17181 23.61110 65.99551 28.29723 21.17629       36.85400 
1 1 1 -1  42 18 o 46.77072 20.14749 18.26703       100.2056 -30.32467      115.2836 168.4355       202.6637 44.78107 20.30544 72.59841 29.78031 -27.81734      36.04411 
1 1 1 -1  42 19 f 84.12678 20.98752 247.4623       103.2029 317.0939       121.4718 66.77642       195.6746 94.61673 22.26421 63.33341 27.70827 31.28332       35.54495 
1 1 1 -1  42 20 o 118.3066 15.23859 450.0866       103.2785 409.8139       126.8798 529.1669       177.7956 109.0451 20.59436 119.0245 26.18310 -9.979370      33.31190 
1 1 1 -1  42 21 o 70.21083 21.46737 174.1972       96.59317 178.9910       122.0713 166.1687       157.9745 70.56338 24.32619 69.57542 27.02542 0.9879608      36.36120 
1 1 1 -1  42 22 o 37.00990 17.06015 -45.16167      85.90079 -54.98513      114.6604 -32.59478      129.6867 42.34572 19.58728 46.79225 21.34153 -4.446533      28.96761 
1 1 1 -1  42 23 o 97.09086 16.25457 309.8997       89.28707 242.5583       123.3122 384.1156       129.4535 80.76506 24.16270 104.0577 21.90630 -23.29268      32.61475 
1 1 1 -1  42 24 o 25.58115 12.66334 -148.3905      70.72057 -194.0532      102.9724 -107.6229      97.29672 31.35575 15.47740 34.79456 16.67042 -3.438801      22.74759 
1 1 1 -1  43 1  o 93.63102 25.60975 316.0390       144.6598 316.0390       144.6598 0.000000       0.000000 93.63102 25.60975 ?        ?        0.000000       25.60975 
1 1 1 -1  43 2  o 224.8276 12.68955 1554.664       166.6402 1554.664       166.6402 0.000000       0.000000 224.8276 12.68955 ?        ?        0.000000       12.68955 
1 1 1 -1  43 3  o 107.5027 30.22218 444.4308       198.4396 444.4308       198.4396 0.000000       0.000000 107.5027 30.22218 ?        ?        0.000000       30.22218 
1 1 1 -1  43 4  o 109.1377 21.87423 406.8576       135.1291 422.3355       142.1575 261.8394       435.1364 110.6857 22.66268 89.53388 40.12265 21.15182       46.08063 
1 1 1 -1  43 5  o 132.0763 17.59353 564.4388       132.8924 497.0901       140.6097 1127.950       406.7262 121.9595 20.37684 154.2838 43.22976 -32.32432      47.79150 
1 1 1 -1  43 6  o 65.72553 24.62207 134.4276       128.1128 145.6182       136.1897 48.38931       377.6279 67.76060 25.38596 77.35212 35.69697 -9.591522      43.80320 
1 1 1 -1  43 7  o 134.7638 17.02561 585.0615       131.5656 542.4455       139.0818 947.6819       405.7050 128.3014 19.06211 136.7147 44.30088 -8.413284      48.22792 
1 1 1 -1  43 8  o 31.95030 15.99629 -317.8170      126.8298 -377.6690      133.0142 281.2983       420.8370 31.28904 15.76146 89.01833 39.70502 -57.72929      42.71899 
1 1 1 -1  43 9  o 148.6207 16.06759 705.3462       137.8250 775.2588       145.7704 115.9628       423.2438 155.7745 16.19192 81.47301 37.66705 74.30151       40.99981 
1 1 1 -1  43 10 o 104.8999 22.84458 385.3207       136.5523 402.4907       145.0524 251.5667       404.8486 106.5318 23.81548 86.49810 38.73626 20.03372       45.47170 
1 1 1 -1  43 11 o 79.28432 23.75299 224.6814       119.1026 158.2039       129.9285 574.4660       298.0351 68.64297 24.95623 111.2993 38.02218 -42.65633      45.48077 
1 1 1 -1  43 12 o 109.8276 20.13873 408.2711       124.9374 474.3891       138.4615 118.5499       289.8406 118.1060 20.74636 74.34303 33.06810 43.76298       39.03730 
1 1 1 -1  43 13 o 42.57893 19.81118 -70.64535      119.9452 -89.47527      132.4456 15.21956       282.8272 43.65299 20.47594 67.86615 31.16397 -24.21316      37.28884 
1 1 1 -1  43 14 o 82.20193 22.79980 241.5164       113.7578 259.3212       126.8260 168.2310       257.3053 84.28288 24.31660 75.26928 32.35269 9.013603       40.47214 
1 1 1 -1  43 15 o 148.7897 13.83619 696.6700       119.3533 563.1433       135.8990 1147.054       249.5879 130.4651 18.26056 179.6753 24.30859 -49.21016      30.40322 
1 1 1 -1  43 16 o 63.71254 22.57873 135.7105       105.5984 92.81442       128.9135 223.1946       184.1002 59.37354 23.97497 77.40207 29.40063 -18.02853      37.93674 
1 1 1 -1  43 17 o 88.18846 19.22921 265.6623       96.64439 185.0332       127.6265 374.0453       147.9706 71.73859 24.86676 100.3367 25.18703 -28.59810      35.39410 
1 1 1 -1  43 18 f 52.89624 21.38187 66.99120       102.6554 15.21233       122.7929 187.1803       187.0809 49.91436 21.89054 72.95386 29.07880 -23.03950      36.39743 
1 1 1 -1  43 19 o 85.85544 21.63563 262.5532       108.8811 186.4653       124.8025 504.9975       222.7776 71.65047 24.60079 108.2188 32.50056 -36.56838      40.76133 
1 1 1 -1  43 20 o 52.06835 21.18189 62.79705       101.4871 52.17550       120.4587 88.77828       188.3970 53.26553 22.48770 63.69850 27.53345 -10.43297      35.54979 
1 1 1 -1  43 21 o 51.94865 20.77019 67.84944       95.74086 101.2156       119.5741 8.249694       159.8108 58.96894 23.33037 54.21766 24.30444 4.751286       33.68994 
1 1 1 -1  44 1  o 211.4968 14.25802 1401.307       175.8200 1401.307       175.8200 0.000000       0.000000 211.4968 14.25802 ?        ?        0.000000       14.25802 
1 1 1 -1  44 2  o 99.97683 25.84823 367.3807       152.6662 367.3807       152.6662 0.000000       0.000000 99.97683 25.84823 ?        ?        0.000000       25.84823 
1 1 1 -1  44 3  o 106.0108 25.23095 408.0222       154.5909 408.0222       154.5909 0.000000       0.000000 106.0108 25.23095 ?        ?        0.000000       25.23095 
1 1 1 -1  44 4  o 160.5980 14.75592 814.4156       137.4292 747.9227       146.2838 1314.318       401.0986 152.4160 16.63468 169.2414 40.87473 -16.82542      44.12999 
1 1 1 -1  44 5  o 212.4470 11.80371 1386.682       146.4903 1242.523       156.5574 2400.691       415.2159 199.7240 13.44406 254.7086 28.27148 -54.98462      31.30526 
1 1 1 -1  44 6  o 183.5976 13.14486 1048.442       140.6016 901.9488       151.1862 1986.125       382.5005 168.3830 15.48279 230.2841 28.96055 -61.90114      32.83946 
1 1 1 -1  44 7  o 51.33226 22.70908 4.902611       134.8587 -88.50610      143.0197 754.0203       405.0205 45.64545 21.36777 116.5998 43.75855 -70.95432      48.69695 
1 1 1 -1  44 8  o 126.1591 19.46124 533.2108       139.3667 624.7618       148.8946 -114.2291      395.9561 137.0510 19.03782 70.37000 33.69212 66.68104       38.69881 
1 1 1 -1  44 9  o 55.10205 23.76813 39.67086       139.8185 37.43333       148.0487 58.13354       425.2733 55.95546 24.29622 77.55649 36.47693 -21.60103      43.82776 
1 1 1 -1  44 10 o 146.0321 16.83738 692.2159       141.5657 750.1689       150.0417 222.3221       427.2422 151.8045 17.15309 83.84541 38.42773 67.95912       42.08228 
1 1 1 -1  44 11 o 119.8037 17.68773 472.8430       120.5449 496.0081       130.8139 342.4334       310.3788 121.8217 18.92343 88.68174 36.66433 33.13998       41.25978 
1 1 1 -1  44 12 o 42.18178 19.72764 -78.31465      121.4266 -99.36835      131.5455 42.95384       315.7082 42.69983 20.14567 70.89058 32.68795 -28.19075      38.39727 
1 1 1 -1  44 13 o 91.57319 22.24394 298.2939       118.2624 291.7914       129.1770 331.9679       293.9634 89.20441 24.11831 87.38094 35.85776 1.823463       43.21426 
1 1 1 -1  44 14 o 75.98878 23.25358 209.2285       113.3054 50.79602       125.0211 937.6832       268.0789 53.91870 22.84343 153.3209 30.88235 -99.40216      38.41278 
1 1 1 -1  44 15 o 71.42059 22.67614 182.7230       106.6892 159.5011       124.0156 248.8492       209.2734 67.59809 24.40897 79.51434 31.04301 -11.91625      39.49009 
1 1 1 -1  44 16 f 116.9304 15.28555 441.3969       102.3164 473.0713       139.8730 404.9420       150.0577 116.4627 21.26162 104.4136 24.86314 12.04916       32.71441 
1 1 1 -1  44 17 o 46.65900 20.12893 20.34587       100.3066 -119.9506      139.7652 169.3582       144.0413 42.65826 20.31145 69.30983 26.07767 -26.65157      33.05449 
1 1 1 -1  44 18 o 91.15257 21.36226 294.7979       112.1957 335.8473       134.3680 200.2791       203.8927 95.28280 24.04786 74.24662 30.08984 21.03618       38.51881 
1 1 1 -1  44 19 o 52.18346 22.01613 50.48772       115.3343 65.00034       132.2953 4.524958       235.4371 55.83675 23.56961 61.60539 28.34187 -5.768635      36.86175 
1 1 1 -1  45 1  o 66.48704 27.34095 124.4420       171.3669 124.4420       171.3669 0.000000       0.000000 66.48704 27.34095 ?        ?        0.000000       27.34095 
1 1 1 -1  45 2  o 41.90976 20.42952 -222.1146      162.7039 -222.1146      162.7039 0.000000       0.000000 41.90976 20.42952 ?        ?        0.000000       20.42952 
1 1 1 -1  45 3  o 104.7055 25.96827 408.5605       158.6817 408.5605       158.6817 0.000000       0.000000 104.7055 25.96827 ?        ?        0.000000       25.96827 
1 1 1 -1  45 4  o 147.5483 16.77826 706.8906       142.6126 582.1773       150.7303 1772.056       440.5069 130.9703 20.27837 198.5988 39.21253 -67.62851      44.14561 
1 1 1 -1  45 5  o 145.3308 17.74574 693.8536       148.1191 693.8536       148.1191 0.000000       0.000000 145.3308 17.74574 ?        ?        0.000000       17.74574 
1 1 1 -1  45 6  o 53.04312 23.48231 11.82509       144.4431 3.473422       153.8395 73.99521       419.7319 53.65052 23.96282 77.30251 36.32015 -23.65198      43.51287 
1 1 1 -1  45 7  f 64.58169 25.33891 128.7202       140.0101 105.2367       148.1913 323.9611       427.2938 62.48899 25.52999 87.59013 39.46294 -25.10114      47.00110 
1 1 1 -1  45 8  o 65.42776 27.75403 106.0600       184.9378 12.87525       210.7863 417.6393       385.4377 60.78196 27.51927 92.09556 39.59124 -31.31360      48.21593 
1 1 1 -1  45 9  o 66.61412 25.54100 146.8026       139.7761 161.8736       150.5160 52.35915       376.7883 68.97546 26.48940 73.97327 34.64606 -4.997810      43.61236 
1 1 1 -1  45 10 o 79.52931 25.68113 238.1140       136.4096 235.4264       147.0411 254.7096       365.3824 78.70184 26.71004 82.39831 36.85738 -3.696472      45.51805 
1 1 1 -1  45 11 o 48.93506 21.36049 17.13552       115.7152 -68.73630      126.2570 467.9032       289.2720 43.53300 20.27885 97.81768 36.92228 -54.28468      42.12465 
1 1 1 -1  45 12 o 84.91404 24.12698 267.5219       125.7826 332.1530       140.8594 13.16385       279.4396 94.03241 25.08120 66.05545 30.56273 27.97696       39.53665 
1 1 1 -1  45 13 o 105.6695 20.38636 386.7538       121.7620 372.1428       134.8769 451.1138       283.0779 101.3058 23.20165 96.27396 36.48301 5.031822       43.23570 
1 1 1 -1  45 14 o 78.65440 22.63407 224.7598       110.0160 165.9995       124.7864 429.8289       233.1178 68.38831 24.51106 97.63871 33.61848 -29.25040      41.60522 
1 1 1 -1  45 15 o 97.51636 20.48989 331.9998       113.4533 274.2069       138.1376 451.7816       198.8705 84.64706 25.63006 103.8519 30.58985 -19.20481      39.90788 
1 1 1 -1  45 16 o 64.32388 23.40036 142.6280       114.2573 133.5675       148.9188 155.5946       178.1502 64.75452 25.89935 68.59330 28.00406 -3.838783      38.14451 
1 1 1 -1  46 1  o 68.98739 27.36521 158.7084       164.9097 158.7084       164.9097 0.000000       0.000000 68.98739 27.36521 ?        ?        0.000000       27.36521 
1 1 1 -1  46 2  o 153.9651 19.41170 799.8273       171.3936 799.8273       171.3936 0.000000       0.000000 153.9651 19.41170 ?        ?        0.000000       19.41170 
1 1 1 -1  46 3  o 112.1484 24.52216 461.9399       156.7825 461.9399       156.7825 0.000000       0.000000 112.1484 24.52216 ?        ?        0.000000       24.52216 
1 1 1 -1  46 4  o 83.88596 28.47038 279.7644       167.0615 279.7644       167.0615 0.000000       0.000000 83.88596 28.47038 ?        ?        0.000000       28.47038 
1 1 1 -1  46 5  o 99.30271 26.67344 379.9813       158.6238 348.3533       169.4598 603.8298       450.8251 93.31983 28.41464 99.18098 42.72953 -5.861145      51.31476 
1 1 1 -1  46 6  o 87.28307 27.81398 301.3985       160.3909 359.9776       175.2760 -0.2068898     397.7139 94.35470 28.93092 72.33057 34.38951 22.02413       44.94036 
1 1 1 -1  46 7  o 55.35356 23.98297 44.20265       143.6199 123.3968       156.9870 -362.3236      355.6815 64.53156 26.30991 58.80556 28.97704 5.725990       39.13924 
1 1 1 -1  46 8  o 49.65043 22.51620 -19.72570      141.8071 -72.85806      161.1534 162.5681       298.5010 48.88508 22.81799 74.88065 33.41669 -25.99556      40.46401 
1 1 1 -1  46 9  o 48.85654 22.97933 -92.01160      168.7992 35.35902       205.8724 -353.2878      294.8583 61.17854 27.49226 53.63136 26.41891 7.547180       38.12851 
1 1 1 -1  46 10 o 70.56940 25.67714 180.5405       137.5814 161.1742       155.1175 251.9597       297.8818 68.53622 26.73509 80.17313 34.63793 -11.63692      43.75558 
1 1 1 -1  46 11 o 70.97718 23.96023 183.7426       118.3158 215.0599       136.1394 87.07919       239.1789 75.46284 25.69950 66.95135 29.89296 8.511490       39.42148 
1 1 1 -1  46 12 o 42.26610 19.87065 -83.24930      125.9686 -9.444251      141.6161 -362.9578      275.6909 50.20419 22.65980 51.13214 25.25513 -0.9279518     33.93063 
1 1 1 -1  47 1  o 112.8266 26.15936 484.1323       169.7220 484.1323       169.7220 0.000000       0.000000 112.8266 26.15936 ?        ?        0.000000       26.15936 
1 1 1 -1  47 2  o 47.33580 22.40520 -107.8504      165.1741 -107.8504      165.1741 0.000000       0.000000 47.33580 22.40520 ?        ?        0.000000       22.40520 
1 1 1 -1  47 3  o 145.0720 19.14895 712.4709       158.9471 712.4709       158.9471 0.000000       0.000000 145.0720 19.14895 ?        ?        0.000000       19.14895 
1 1 1 -1  47 4  o 176.8364 16.67951 1023.598       170.9404 1023.598       170.9404 0.000000       0.000000 176.8364 16.67951 ?        ?        0.000000       16.67951 
1 1 1 -1  47 5  o 137.7951 21.46182 665.6804       167.7940 591.0539       180.4492 1142.435       456.0954 125.7563 25.34325 131.9174 46.90689 -6.161087      53.31545 
1 1 1 -1  47 6  o 62.85377 26.74621 99.50669       172.6801 -35.59270      186.8341 891.1790       452.2744 54.25645 25.06361 113.7459 45.25406 -59.48941      51.73118 
1 1 1 0   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  4  o 606.2375 10.62425 10793.86       377.4772 10793.86       377.4772 10793.86       377.4772 606.2375 10.62425 606.2375 10.62425 -0.000000      0.000000 
1 1 1 0   0  5  o 49.96860 5.895588 76.23619       16.64635 76.23619       16.64635 76.23619       16.64635 49.96860 5.895588 49.96860 5.895588 -0.000000      0.000000 
1 1 1 0   0  6  o 485.6142 8.786667 6924.920       250.0606 6924.920       250.0606 6924.920       250.0606 485.6142 8.786667 485.6142 8.786667 -0.000000      0.000000 
1 1 1 0   0  7  o 204.8536 5.103414 1233.041       61.22736 1233.041       61.22736 1233.041       61.22736 204.8536 5.103414 204.8536 5.103414 -0.000000      0.000000 
1 1 1 0   0  8  o 746.1345 12.85205 16355.46       562.0172 16355.46       562.0172 16355.46       562.0172 746.1345 12.85205 746.1345 12.85205 -0.000000      0.000000 
1 1 1 0   0  9  o 507.4519 9.143984 7562.639       271.9335 7562.639       271.9335 7562.639       271.9335 507.4519 9.143984 507.4519 9.143984 -0.000000      0.000000 
1 1 1 0   0  10 o 312.0277 6.430543 2859.566       117.5641 2859.566       117.5641 2859.566       117.5641 312.0277 6.430543 312.0277 6.430543 -0.000000      0.000000 
1 1 1 0   0  11 o 139.5172 5.485960 573.5984       44.73014 573.5984       44.73014 573.5984       44.73014 139.5172 5.485960 139.5172 5.485960 -0.000000      0.000000 
1 1 1 0   0  12 o 225.7964 5.731336 1498.478       75.78632 1498.478       75.78632 1498.478       75.78632 225.7964 5.731336 225.7964 5.731336 -0.000000      0.000000 
1 1 1 0   0  13 o 1073.603 18.18450 33951.34       1144.233 33951.34       1144.233 33951.34       1144.233 1073.603 18.18450 1073.603 18.18450 -0.000000      0.000000 
1 1 1 0   0  14 o 481.7643 8.863676 6817.961       250.2461 6817.961       250.2461 6817.961       250.2461 481.7643 8.863676 481.7643 8.863676 -0.000000      0.000000 
1 1 1 0   0  15 o 578.9761 10.36015 9847.082       351.5310 9847.082       351.5310 9847.082       351.5310 578.9761 10.36015 578.9761 10.36015 -0.000000      0.000000 
1 1 1 0   0  16 o 379.4847 7.541251 4229.306       167.6877 4229.306       167.6877 4229.306       167.6877 379.4847 7.541251 379.4847 7.541251 0.000000       0.000000 
1 1 1 0   0  17 o 855.4684 14.67649 21502.36       735.8486 21502.36       735.8486 21502.36       735.8486 855.4684 14.67649 855.4684 14.67649 -0.000000      0.000000 
1 1 1 0   0  18 o 1142.192 19.29663 38358.03       1291.789 38358.03       1291.789 38358.03       1291.789 1142.192 19.29663 1142.192 19.29663 -0.000000      0.000000 
1 1 1 0   0  19 o 1398.365 23.50104 57549.35       1926.111 57549.35       1926.111 57549.35       1926.111 1398.365 23.50104 1398.365 23.50104 -0.000000      0.000000 
1 1 1 0   0  20 o 376.4902 7.967388 4163.498       175.7442 4163.498       175.7442 4163.498       175.7442 376.4902 7.967388 376.4902 7.967388 -0.000000      0.000000 
1 1 1 0   0  21 o 248.5904 8.279589 1818.868       120.4064 1818.868       120.4064 1818.868       120.4064 248.5904 8.279589 248.5904 8.279589 -0.000000      0.000000 
1 1 1 0   0  22 o 433.0003 8.789687 5507.391       223.0017 5507.391       223.0017 5507.391       223.0017 433.0003 8.789687 433.0003 8.789687 -0.000000      0.000000 
1 1 1 0   0  23 o 89.93755 16.61349 260.4592       78.82773 260.4592       78.82773 260.4592       78.82773 89.93755 16.61349 89.93755 16.61349 -0.000000      0.000000 
1 1 1 0   0  24 o 830.6960 14.36367 20288.67       699.3024 20288.67       699.3024 20288.67       699.3024 830.6960 14.36367 830.6960 14.36367 -0.000000      0.000000 
1 1 1 0   0  25 o 663.2254 11.79213 12928.92       458.3470 12928.92       458.3470 12928.92       458.3470 663.2254 11.79213 663.2254 11.79213 -0.000000      0.000000 
1 1 1 0   0  26 f 216.3225 7.726411 1378.433       97.73947 1378.433       97.73947 1378.433       97.73947 216.3225 7.726411 216.3225 7.726411 -0.000000      0.000000 
1 1 1 0   0  27 o 249.0945 7.111631 1825.226       103.7009 1825.226       103.7009 1825.226       103.7009 249.0945 7.111631 249.0945 7.111631 -0.000000      0.000000 
1 1 1 0   0  28 o 213.2233 7.705177 1339.704       96.06774 1339.704       96.06774 1339.704       96.06774 213.2233 7.705177 213.2233 7.705177 -0.000000      0.000000 
1 1 1 0   0  29 o 242.6774 8.613913 1735.866       122.2463 1735.866       122.2463 1735.866       122.2463 242.6774 8.613913 242.6774 8.613913 -0.000000      0.000000 
1 1 1 0   0  30 o 160.7379 9.700299 767.3562       90.67338 767.3562       90.67338 767.3562       90.67338 160.7379 9.700299 160.7379 9.700299 -0.000000      0.000000 
1 1 1 0   0  31 o 269.0392 8.494319 2132.430       133.7249 2132.430       133.7249 2132.430       133.7249 269.0392 8.494319 269.0392 8.494319 -0.000000      0.000000 
1 1 1 0   0  32 o 33.43899 20.09507 33.56239       71.03822 33.56239       71.03822 33.56239       71.03822 33.43899 20.09507 33.43899 20.09507 0.000000       0.000000 
1 1 1 0   0  33 o 243.1671 9.067752 1744.657       128.9081 1744.657       128.9081 1744.657       128.9081 243.1671 9.067752 243.1671 9.067752 0.000000       0.000000 
1 1 1 0   0  34 o 93.06494 19.46048 286.6624       93.59686 286.6624       93.59686 286.6624       93.59686 93.06494 19.46048 93.06494 19.46048 0.000000       0.000000 
1 1 1 0   0  35 o 400.6663 10.24585 4729.106       240.4027 4729.106       240.4027 4729.106       240.4027 400.6663 10.24585 400.6663 10.24585 0.000000       0.000000 
1 1 1 0   0  36 o 215.0208 10.46839 1369.456       131.2947 1369.456       131.2947 1369.456       131.2947 215.0208 10.46839 215.0208 10.46839 0.000000       0.000000 
1 1 1 0   0  37 o 244.9979 10.47836 1775.787       149.9307 1775.787       149.9307 1775.787       149.9307 244.9979 10.47836 244.9979 10.47836 0.000000       0.000000 
1 1 1 0   0  38 o 217.9410 10.97053 1409.446       139.4076 1409.446       139.4076 1409.446       139.4076 217.9410 10.97053 217.9410 10.97053 -0.000000      0.000000 
1 1 1 0   0  39 o 146.4763 13.95920 650.8674       117.2592 650.8674       117.2592 650.8674       117.2592 146.4763 13.95920 146.4763 13.95920 -0.000000      0.000000 
1 1 1 0   0  40 f 45.96317 26.26142 83.75365       111.4031 83.75365       111.4031 83.75365       111.4031 45.96317 26.26142 45.96317 26.26142 -0.000000      0.000000 
1 1 1 0   0  41 o 290.3453 11.20092 2499.351       190.0844 2499.351       190.0844 2499.351       190.0844 290.3453 11.20092 290.3453 11.20092 -0.000000      0.000000 
1 1 1 0   0  42 f 216.7990 15.25548 1419.394       191.7229 1419.394       191.7229 1419.394       191.7229 216.7990 15.25548 216.7990 15.25548 -0.000000      0.000000 
1 1 1 0   0  43 o 118.0091 18.57695 447.3478       119.0570 447.3478       119.0570 447.3478       119.0570 118.0091 18.57695 118.0091 18.57695 -0.000000      0.000000 
1 1 1 0   0  44 o 40.62334 24.69856 52.55785       109.9339 52.55785       109.9339 52.55785       109.9339 40.62334 24.69856 40.62334 24.69856 -0.000000      0.000000 
1 1 1 0   0  45 f 36.17974 23.19667 14.25894       111.3508 14.25894       111.3508 14.25894       111.3508 36.17974 23.19667 36.17974 23.19667 -0.000000      0.000000 
1 1 1 0   0  46 o 186.4930 13.09458 1055.015       141.5689 1055.015       141.5689 1055.015       141.5689 186.4930 13.09458 186.4930 13.09458 -0.000000      0.000000 
1 1 1 0   0  47 o 110.8570 21.27474 414.4405       123.5891 414.4405       123.5891 414.4405       123.5891 110.8570 21.27474 110.8570 21.27474 -0.000000      0.000000 
1 1 1 0   0  48 o 197.5858 13.48508 1189.584       154.5660 1189.584       154.5660 1189.584       154.5660 197.5858 13.48508 197.5858 13.48508 0.000000       0.000000 
1 1 1 0   0  49 o 111.2520 25.71830 444.0839       146.0134 444.0839       146.0134 444.0839       146.0134 111.2520 25.71830 111.2520 25.71830 -0.000000      0.000000 
1 1 1 0   0  50 o 91.06491 31.89502 351.5725       154.2381 351.5725       154.2381 351.5725       154.2381 91.06491 31.89502 91.06491 31.89502 -0.000000      0.000000 
1 1 1 0   0  51 o 51.52329 31.02058 118.6970       169.9163 118.6970       169.9163 118.6970       169.9163 51.52329 31.02058 51.52329 31.02058 -0.000000      0.000000 
1 1 1 0   0  52 o 62.80685 34.66072 212.9696       185.7295 212.9696       185.7295 212.9696       185.7295 62.80685 34.66072 62.80685 34.66072 -0.000000      0.000000 
1 1 1 0   1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   1  3  o ?        ?        -20.39752      1.766705 -20.39752      1.766705 0.000000       0.000000 ?        ?        ?        ?        0.000000       ?        
1 1 1 0   1  4  o 272.4650 4.058874 2177.315       64.85849 2240.504       94.16879 2120.289       89.45979 276.3639 5.809986 268.8498 5.673716 7.514099       8.120775 
1 1 1 0   1  5  o 355.1624 4.851702 3699.882       101.0582 3677.019       141.9629 3723.372       143.8925 354.0179 6.837529 356.2410 6.887217 -2.223114      9.704925 
1 1 1 0   1  6  o 416.6369 5.482000 5091.908       133.9514 5100.975       189.8138 5082.912       189.0603 416.9379 7.762575 416.1996 7.745475 0.7382507      10.96585 
1 1 1 0   1  7  o 730.8666 8.904906 15677.55       381.6963 15683.25       540.1212 15671.87       539.4796 730.6774 12.60419 730.4134 12.59377 0.2639771      17.81765 
1 1 1 0   1  8  o 370.4274 5.041030 4024.926       109.5148 4043.919       155.5399 4006.253       154.2231 371.2439 7.143846 369.5117 7.116570 1.732147       10.08366 
1 1 1 0   1  9  o 243.3592 3.940504 1737.027       56.24062 1739.596       79.78075 1734.489       79.29399 243.5135 5.586303 243.1563 5.560376 0.3572083      7.881914 
1 1 1 0   1  10 f 308.8115 4.490561 2797.348       81.32883 2816.503       115.7585 2778.676       114.2882 309.8167 6.370853 307.7304 6.332579 2.086334       8.982723 
1 1 1 0   1  11 o 376.2427 5.149518 4153.197       113.6280 4146.090       160.3779 4160.360       161.0123 375.8233 7.276296 376.4687 7.292556 -0.6453552     10.30174 
1 1 1 0   1  12 o 304.0029 5.216957 2711.687       93.01337 2740.460       115.4789 2658.540       156.9440 305.5627 6.443944 300.7030 8.909139 4.859772       10.99532 
1 1 1 0   1  13 f 791.1368 11.15149 18403.84       517.4104 17689.81       599.3287 20493.40       1025.260 775.2182 13.18228 831.6907 21.03634 -56.47247      24.82540 
1 1 1 0   1  14 o 509.1393 6.544731 7607.564       195.4245 7430.231       268.4455 7807.506       285.0447 502.9803 9.100278 515.5623 9.427169 -12.58200      13.10292 
1 1 1 0   1  15 o 440.4671 6.772899 5693.033       174.9599 5852.582       221.6281 5429.150       285.0253 446.5112 8.463343 429.7272 11.31927 16.78403       14.13344 
1 1 1 0   1  16 o 448.8925 5.968126 5911.359       157.1198 5805.487       217.4828 6026.943       227.2401 444.7659 8.337636 453.1600 8.550332 -8.394073      11.94254 
1 1 1 0   1  17 o 1279.255 15.20906 48100.79       1141.064 48062.18       1612.251 48139.55       1615.170 1277.245 21.52327 1278.266 21.54499 -1.021606      30.45386 
1 1 1 0   1  18 o 311.3561 5.663102 2843.617       103.4099 2839.416       127.4602 2851.707       176.8858 311.1006 6.985913 311.5544 9.692530 -0.4537964     11.94772 
1 1 1 0   1  19 o 482.0501 6.405466 6816.884       181.0896 6871.210       257.7956 6763.964       254.4361 483.8653 9.084489 480.0764 9.036867 3.788849       12.81378 
1 1 1 0   1  20 o 294.1488 5.346573 2537.982       92.23446 2548.573       130.1038 2527.281       130.7772 294.6210 7.535855 293.3834 7.606984 1.237579       10.70772 
1 1 1 0   1  21 o 344.6967 5.774864 3485.482       116.7426 3532.660       166.0582 3439.378       164.1562 346.9549 8.160876 342.3430 8.176085 4.611938       11.55198 
1 1 1 0   1  22 o 436.5266 6.228574 5590.580       159.4593 5509.110       221.5489 5678.147       229.6903 433.2314 8.719654 439.8185 8.904688 -6.587128      12.46298 
1 1 1 0   1  23 o 321.6220 5.458528 3034.569       102.9608 2923.792       141.8909 3157.768       149.6346 315.6318 7.665196 328.0139 7.778383 -12.38205      10.92055 
1 1 1 0   1  24 o 520.6805 6.868558 7956.336       209.7430 8045.757       301.0424 7871.982       292.3896 523.3794 9.807552 517.7117 9.629934 5.667664       13.74495 
1 1 1 0   1  25 o 338.1488 6.424779 3355.827       127.4138 3295.458       152.7076 3494.149       231.1519 335.0286 7.771919 344.5449 11.45527 -9.516327      13.84290 
1 1 1 0   1  26 o 271.6920 8.159191 2169.965       129.8620 2139.000       180.8566 2202.923       186.5825 269.4172 11.47239 273.3980 11.66337 -3.980865      16.36001 
1 1 1 0   1  27 o 349.3456 6.958565 3583.661       142.5691 3665.649       183.3106 3458.141       226.8120 353.0587 8.859995 342.6042 11.30362 10.45447       14.36215 
1 1 1 0   1  28 o 374.3032 9.124829 4119.732       200.3082 4119.732       200.3082 0.000000       0.000000 374.3032 9.124829 ?        ?        0.000000       9.124829 
1 1 1 0   1  29 o 508.4720 7.843190 7599.105       233.8893 7564.496       283.4550 7672.938       414.0129 507.0325 9.532302 509.4976 13.86837 -2.465088      16.82844 
1 1 1 0   1  30 o 159.7264 6.243519 750.4969       58.37399 731.4232       64.80106 832.5965       134.4416 157.6132 7.028015 167.2711 13.82790 -9.657867      15.51140 
1 1 1 0   1  31 o 407.9328 7.496828 4892.613       179.3563 4974.661       229.9096 4765.043       286.6793 411.0049 9.538051 401.5324 12.18788 9.472504       15.47640 
1 1 1 0   1  32 o 255.4873 6.100247 1917.594       91.40444 1908.687       127.5713 1926.992       131.0289 254.5251 8.558346 255.7168 8.749785 -1.191742      12.23945 
1 1 1 0   1  33 o 90.67930 11.29145 246.3149       58.75208 222.3423       80.19773 274.0843       86.31508 85.07349 16.67017 94.80952 16.09844 -9.736023      23.17443 
1 1 1 0   1  34 o 504.1672 7.952311 7476.742       235.1356 7305.276       324.8095 7665.542       340.8328 497.6168 11.12969 509.6629 11.40270 -12.04617      15.93398 
1 1 1 0   1  35 o 222.8306 7.265826 1461.447       94.82641 1541.395       134.8434 1383.227       133.3782 228.4644 10.08865 216.3296 10.54456 12.13481       14.59344 
1 1 1 0   1  36 o 219.3048 8.656578 1418.379       111.1197 1346.143       199.4463 1450.894       133.8117 212.1343 16.15259 221.5439 10.32715 -9.409576      19.17175 
1 1 1 0   1  37 o 507.1922 8.215820 7575.412       244.3847 7348.567       336.5277 7828.518       355.4744 498.5268 11.51017 514.4476 11.78194 -15.92084      16.47113 
1 1 1 0   1  38 o 230.9970 7.570748 1572.937       102.4257 1452.012       143.9278 1697.019       145.7937 221.2503 11.12774 239.3969 10.40900 -18.14662      15.23725 
1 1 1 0   1  39 o 338.0215 7.231736 3364.704       143.3631 3394.414       203.9028 3335.659       201.6088 338.6302 10.27898 335.6922 10.25243 2.938019       14.51791 
1 1 1 0   1  40 o 100.3300 14.88625 307.1558       84.94023 233.6974       122.0556 376.1404       118.2806 85.74476 23.55262 110.0580 19.01214 -24.31328      30.26859 
1 1 1 0   1  41 o 198.4243 8.950568 1166.667       103.8907 1276.131       148.2993 1061.173       145.5854 206.6114 12.29427 188.0346 13.28726 18.57686       18.10250 
1 1 1 0   1  42 o 107.8480 13.68112 354.6596       84.58901 426.7138       122.0174 287.9879       117.3716 116.8033 18.42194 94.49519 21.64504 22.30814       28.42315 
1 1 1 0   1  43 o 159.3347 11.06430 762.6762       102.7493 873.1093       133.0493 599.4940       161.7333 169.5773 13.48919 137.0464 20.77284 32.53090       24.76831 
1 1 1 0   1  44 o 124.7522 11.79868 471.9699       85.29843 575.2798       121.2079 370.6062       120.0607 136.3343 15.43008 107.1997 19.82673 29.13453       25.12343 
1 1 1 0   1  45 o 91.56680 16.39739 265.9671       84.82306 423.7172       119.2646 104.4947       120.6635 115.2047 18.26013 62.52429 23.78976 52.68045       29.98975 
1 1 1 0   1  46 o 156.4752 10.35740 739.1130       94.51393 737.9744       132.5347 740.2912       134.8203 154.0766 14.85083 154.1721 15.10434 -0.9553528E-01 21.18226 
1 1 1 0   1  47 o 179.6313 9.553377 970.9471       100.2824 948.8010       139.0262 994.9677       144.7910 175.2822 13.63118 179.3576 13.87259 -4.075394      19.44886 
1 1 1 0   1  48 o 88.33801 18.60532 258.5840       93.34089 231.3450       131.2437 286.4635       132.7776 80.73479 25.08363 89.77405 24.52757 -9.039261      35.08262 
1 1 1 0   1  49 o 52.95977 20.99138 67.64284       96.96529 85.34563       141.0751 51.79067       133.4977 60.49158 24.83388 55.97609 23.65487 4.515491       34.29686 
1 1 1 0   1  50 o 60.57436 22.40432 113.9301       105.4242 122.4599       149.8547 105.5716       148.3414 65.10938 26.00098 63.08733 25.62947 2.022053       36.50919 
1 1 1 0   1  51 o 122.6409 17.61293 494.9227       123.0528 606.2595       176.4059 389.4050       171.7340 130.3570 23.95683 100.1478 28.10111 30.20927       36.92699 
1 1 1 0   1  52 o 70.05569 24.91850 174.6937       128.7239 347.7669       176.6775 -21.12580      187.9292 92.95473 29.13750 55.94897 25.58356 37.00577       38.77515 
1 1 1 0   2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   2  2  f ?        ?        -32.33004      2.293132 -26.83151      3.168796 -38.37537      3.322626 ?        ?        ?        ?        0.000000       ?        
1 1 1 0   2  3  o 5.784141 2.815208 -5.508500      3.056590 -31.68884      5.828593 4.422427       3.589806 ?        ?        12.61121 4.171987 0.000000       4.171987 
1 1 1 0   2  4  o 318.7094 5.669815 2979.647       105.9776 3039.372       139.0503 2896.873       163.6981 321.8482 7.366654 314.0439 8.896941 7.804352       11.55089 
1 1 1 0   2  5  o 603.9659 7.947309 10704.08       281.5030 10693.91       331.7548 10730.24       531.9893 603.5964 9.371736 604.1608 15.01412 -0.5643311     17.69896 
1 1 1 0   2  6  o 289.6287 4.563874 2460.390       77.52213 2444.118       90.90691 2503.765       148.4256 288.6566 5.369884 291.9538 8.678134 -3.297211      10.20518 
1 1 1 0   2  7  o 453.6508 6.296542 6037.468       167.5230 5938.028       194.0004 6329.007       332.1781 449.8635 7.353115 464.0331 12.21657 -14.16959      14.25879 
1 1 1 0   2  8  o 223.4259 4.081114 1464.117       53.47649 1459.127       62.67985 1477.466       102.5171 223.0363 4.791835 224.2462 7.806988 -1.209839      9.160280 
1 1 1 0   2  9  o 831.1002 10.04023 20282.97       489.3812 20098.92       682.9487 20477.22       701.6075 826.7643 14.08497 834.4678 14.33620 -7.703491      20.09759 
1 1 1 0   2  10 o 551.0994 6.940246 8913.011       224.3135 8872.703       315.2900 8954.324       319.2005 549.6373 9.781004 552.1528 9.857203 -2.515503      13.88641 
1 1 1 0   2  11 o 625.7781 7.759377 11497.28       284.7723 11534.43       404.3708 11460.72       401.1067 626.3990 11.00723 624.4017 10.95331 1.997253       15.52849 
1 1 1 0   2  12 o 208.9414 4.499883 1280.762       55.14121 1381.608       71.74052 1135.176       86.19781 216.9098 5.644222 196.4859 7.493957 20.42387       9.381718 
1 1 1 0   2  13 o 609.4934 8.807333 10911.68       314.8212 10540.72       368.0175 11923.86       607.9009 598.8336 10.47881 635.6264 16.32074 -36.79285      19.39515 
1 1 1 0   2  14 o 557.0421 10.00961 9115.932       327.0060 8470.942       417.7333 10136.69       525.5133 536.5976 13.27394 586.4822 15.29146 -49.88458      20.24911 
1 1 1 0   2  15 o 777.7106 9.476614 17759.00       432.2368 17462.92       597.5765 18083.86       625.9612 770.7291 13.22030 784.2532 13.60945 -13.52411      18.97349 
1 1 1 0   2  16 o 586.4169 7.393495 10090.37       254.2768 9931.651       351.8700 10263.84       367.8666 581.6135 10.31567 591.2393 10.60905 -9.625854      14.79746 
1 1 1 0   2  17 o 1224.266 14.57444 44044.96       1046.449 43495.42       1453.099 44637.01       1508.246 1215.369 20.38622 1231.087 20.88974 -15.71826      29.18868 
1 1 1 0   2  18 o 431.1705 5.892224 5453.383       148.9974 5375.702       207.4538 5536.147       214.1332 428.0182 8.264348 434.3537 8.406013 -6.335449      11.78815 
1 1 1 0   2  19 o 786.5723 9.624697 18159.69       443.9931 18319.78       635.3531 18006.89       620.7053 789.6470 13.71929 782.8964 13.51857 6.750549       19.26060 
1 1 1 0   2  20 o 574.8404 8.654309 9697.673       291.7630 9652.320       352.9264 9795.580       518.5533 573.3853 10.49511 577.0320 15.33657 -3.646790      18.58380 
1 1 1 0   2  21 o 230.6231 7.548939 1562.354       101.9656 1403.904       117.0563 2060.781       207.6107 218.5075 9.154639 264.4804 13.42855 -45.97293      16.25218 
1 1 1 0   2  22 f 707.7253 9.490636 14704.60       393.9223 14481.65       455.3722 15367.52       785.2125 702.1941 11.05755 722.0876 18.55696 -19.89349      21.60163 
1 1 1 0   2  23 f 437.6687 6.522776 5620.552       167.4281 5673.589       197.3193 5484.189       316.3956 439.6779 7.652166 431.7915 12.50730 7.886444       14.66248 
1 1 1 0   2  24 o 460.2536 6.656613 6216.528       179.6805 6176.961       208.5008 6330.712       354.1949 458.7240 7.750071 463.7761 13.03510 -5.052094      15.16501 
1 1 1 0   2  25 o 393.3117 8.216015 4542.503       189.5172 4542.503       189.5172 0.000000       0.000000 393.3117 8.216015 ?        ?        0.000000       8.216015 
1 1 1 0   2  26 o 259.3939 6.293380 1974.947       95.74019 1844.872       110.0640 2379.400       194.0811 250.5443 7.498928 284.1505 11.67105 -33.60619      13.87253 
1 1 1 0   2  27 o 309.2329 5.631587 2806.639       102.1332 2756.279       116.4859 2974.058       212.3878 306.4008 6.482358 317.6710 11.41848 -11.27020      13.13022 
1 1 1 0   2  28 o 270.1886 6.154263 2143.420       97.51998 2091.818       113.5333 2288.625       190.4497 266.7516 7.263906 278.4880 11.68664 -11.73648      13.76015 
1 1 1 0   2  29 o 222.3958 6.909854 1454.380       90.01579 1420.431       107.2205 1535.446       165.6836 219.6425 8.338739 227.8228 12.44758 -8.180298      14.98255 
1 1 1 0   2  30 o 223.6116 6.558211 1470.200       85.91338 1467.949       101.9464 1475.718       159.5908 223.3165 7.795917 223.2921 12.23338 0.2445984E-01  14.50627 
1 1 1 0   2  31 o 558.7111 7.818608 9180.021       256.1930 8969.081       293.3369 9858.307       526.0104 551.9828 9.061301 576.3300 15.57654 -24.34717      18.02043 
1 1 1 0   2  32 o 130.4934 7.507897 502.3739       57.21635 488.2978       61.71891 588.4246       152.5997 128.5670 8.228565 139.1557 19.21022 -10.58873      20.89837 
1 1 1 0   2  33 o 218.1176 7.588315 1400.745       96.92248 1368.283       114.8640 1480.999       180.6049 215.3788 9.114090 223.2554 13.86196 -7.876602      16.58977 
1 1 1 0   2  34 o 91.38232 13.05876 251.7743       67.99873 80.17350       93.10894 447.9090       99.54259 57.47112 21.08987 122.2021 14.15049 -64.73096      25.39723 
1 1 1 0   2  35 o 248.4717 8.273129 1818.660       120.3902 1727.108       140.0971 2077.150       235.4061 241.8906 9.896414 264.1716 15.25925 -22.28107      18.18746 
1 1 1 0   2  36 o 265.4745 6.956203 2073.669       108.2109 2167.630       152.4113 1978.158       153.6632 271.0149 9.604183 258.7872 10.14422 12.22775       13.96945 
1 1 1 0   2  37 o 324.8607 7.008610 3104.307       133.5302 3083.714       186.9968 3125.733       190.7393 323.1390 9.878810 325.3046 10.00959 -2.165619      14.06353 
1 1 1 0   2  38 o 197.1795 8.056267 1147.428       92.96738 1066.197       128.5749 1236.427       134.5821 189.3950 11.63154 204.0826 11.28823 -14.68758      16.20855 
1 1 1 0   2  39 o 333.9589 10.38572 3302.256       203.1664 0.000000       0.000000 3302.256       203.1664 ?        ?        333.9589 10.38572 0.000000       10.38572 
1 1 1 0   2  40 o 268.9414 7.693543 2134.081       121.2238 2165.270       172.6959 2103.787       170.2041 270.0624 10.92609 266.1946 10.92557 3.867798       15.45146 
1 1 1 0   2  41 o 31.20943 14.99853 -114.2637      80.12445 -126.4538      111.0706 -101.0369      115.6972 38.54882 18.28330 41.41217 19.33120 -2.863358      26.60779 
1 1 1 0   2  42 f 52.67959 19.48178 70.05882       79.70930 59.99552       112.2582 80.29163       113.1997 56.44299 22.51616 59.35553 22.92573 -2.912540      32.13357 
1 1 1 0   2  43 o 99.33113 14.55631 304.9326       82.28264 300.8863       118.6457 308.6820       114.2114 96.03748 21.59112 97.69371 20.58447 -1.656227      29.83114 
1 1 1 0   2  44 o 118.3495 16.39104 438.0767       110.7184 408.2367       121.1756 588.9228       272.4475 113.0330 18.94933 125.1609 35.49059 -12.12788      40.23257 
1 1 1 0   2  45 o 128.2583 12.12490 501.0066       90.12142 459.4553       126.4389 543.9155       128.4877 119.8630 18.58799 131.3977 17.07696 -11.53467      25.24155 
1 1 1 0   2  46 o 101.7173 15.45542 326.4753       89.30179 349.6585       122.7119 300.3746       130.2045 102.4410 21.12688 93.45370 23.71965 8.987289       31.76424 
1 1 1 0   2  47 o 163.5601 10.35621 809.1362       98.83096 743.6749       135.0509 884.6153       145.0168 154.1467 15.13356 168.4245 14.83261 -14.27785      21.19036 
1 1 1 0   2  48 o 68.17323 21.58574 156.4730       96.73315 197.9396       136.6705 114.8471       136.9326 75.43118 25.74833 64.01737 25.07628 11.41380       35.94157 
1 1 1 0   2  49 o 70.87817 22.36808 173.4520       103.9499 -28.25314      145.6000 383.1493       148.4565 50.56406 22.88446 103.1983 24.83142 -52.63422      33.76830 
1 1 1 0   2  50 o 55.18307 21.92462 76.87584       106.0172 128.1136       149.4975 25.03948       150.3682 65.70778 26.05804 55.36060 24.25311 10.34718       35.59824 
1 1 1 0   2  51 o 156.7618 13.57190 771.2773       123.5482 515.5474       171.7617 1045.439       177.8440 118.5524 25.46395 179.3323 17.11690 -60.77985      30.68226 
1 1 1 0   2  52 o 110.7514 20.74918 424.2672       129.8212 329.0035       178.5276 531.1700       189.1196 90.18119 29.39947 117.1986 27.91536 -27.01740      40.54129 
1 1 1 0   3  1  o 10.67081 5.262197 -25.95061      11.80644 -25.95061      11.80644 0.000000       0.000000 10.67081 5.262197 ?        ?        0.000000       5.262197 
1 1 1 0   3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   3  4  o 347.8675 6.024126 3549.956       122.9019 3524.887       156.5978 3590.161       198.3192 346.5928 7.703986 349.5870 9.682275 -2.994202      12.37327 
1 1 1 0   3  5  o 419.6095 6.411412 5165.461       157.7791 5000.949       216.4899 5351.840       230.4287 412.7846 8.942595 427.0096 9.201283 -14.22495      12.83096 
1 1 1 0   3  6  o 562.7800 8.182926 9294.377       270.0834 9096.157       375.1884 9507.571       389.1026 556.5457 11.49471 568.9805 11.66047 -12.43481      16.37361 
1 1 1 0   3  7  o 400.4810 5.715485 4704.866       134.2411 4627.584       155.4787 4931.205       266.0815 397.1511 6.675203 409.6394 11.08567 -12.48828      12.94026 
1 1 1 0   3  8  o 762.2639 9.790090 17059.21       437.6657 16959.00       511.6280 17332.59       845.0675 759.8488 11.48092 767.0998 18.78404 -7.250977      22.01480 
1 1 1 0   3  9  o 244.8967 4.261270 1759.143       61.20297 1752.291       71.26174 1778.407       119.4831 244.4076 4.971543 246.0040 8.293446 -1.596420      9.669410 
1 1 1 0   3  10 o 127.8232 4.509439 479.8811       33.75219 479.8811       33.75219 0.000000       0.000000 127.8232 4.509439 ?        ?        0.000000       4.509439 
1 1 1 0   3  11 o 618.7405 8.129545 11242.08       295.0022 11043.71       339.1673 11858.48       597.8566 613.1083 9.432488 633.9802 16.09245 -20.87195      18.65311 
1 1 1 0   3  12 o 433.9200 6.162988 5526.071       156.8381 5351.474       178.0738 6129.939       331.1712 426.9489 7.111705 456.2472 12.38808 -29.29834      14.28429 
1 1 1 0   3  13 o 383.1349 5.554394 4307.329       124.8070 4232.702       143.7539 4535.778       251.5174 379.7579 6.454495 392.6441 10.93305 -12.88617      12.69615 
1 1 1 0   3  14 o 620.9170 8.207725 11318.80       298.8869 11305.06       351.8312 11354.42       566.5458 620.3980 9.669709 620.7490 15.57441 -0.3509521     18.33209 
1 1 1 0   3  15 o 964.2382 12.29240 27320.49       695.1385 27509.79       827.8241 26867.83       1280.127 967.1633 14.59445 953.7874 22.88500 13.37592       27.14261 
1 1 1 0   3  16 o 630.5144 8.374908 11666.73       309.6888 11609.06       362.8897 11821.32       594.1136 628.8607 9.839423 633.8237 15.99549 -4.963013      18.77951 
1 1 1 0   3  17 o 712.3950 9.372346 14894.93       391.5793 14891.36       461.5843 14904.08       739.5881 712.1895 11.05108 711.8216 17.71611 0.3679199      20.88030 
1 1 1 0   3  18 o 971.0070 12.43209 27690.13       707.9734 27750.70       837.8367 27538.90       1323.900 971.7745 14.70088 966.4976 23.35629 5.276917       27.59768 
1 1 1 0   3  19 o 679.9712 8.973828 13569.43       357.8647 13789.37       429.8033 13072.37       646.1536 685.3402 10.69333 666.7404 16.52450 18.59979       19.68265 
1 1 1 0   3  20 o 705.9103 9.412743 14626.50       389.6873 14722.46       461.7512 14389.01       726.4213 708.0865 11.11914 699.0709 17.73240 9.015625       20.93020 
1 1 1 0   3  21 f 300.1651 7.036250 2643.599       123.8660 2496.708       140.9352 3142.213       259.6597 291.5583 8.250507 326.7095 13.58127 -35.15121      15.89093 
1 1 1 0   3  22 o 349.7137 6.106370 3588.039       125.2409 3524.216       141.3082 3821.790       270.4293 346.5644 6.952370 360.4008 12.81472 -13.83636      14.57918 
1 1 1 0   3  23 o 695.0096 9.317512 14182.72       379.7880 13928.44       437.4188 14961.48       765.5005 688.5959 10.83135 712.2914 18.33997 -23.69543      21.29959 
1 1 1 0   3  24 o 569.0705 8.555651 9508.585       285.5418 9058.890       325.9830 10991.17       591.8963 555.3182 10.00927 610.5252 16.54597 -55.20703      19.33790 
1 1 1 0   3  25 o 743.4155 9.806137 16238.93       427.5433 16242.72       503.8247 16229.15       808.1454 743.2117 11.55890 741.0292 18.61005 2.182495       21.90758 
1 1 1 0   3  26 o 306.2145 8.001348 2755.826       143.5711 2963.542       207.5757 2565.323       198.7897 317.2205 11.17490 295.0709 11.50935 22.14966       16.04193 
1 1 1 0   3  27 o 239.5471 7.590428 1687.199       106.5024 1687.199       106.5024 0.000000       0.000000 239.5471 7.590428 ?        ?        0.000000       7.590428 
1 1 1 0   3  28 o 217.6171 5.791952 1391.266       73.85538 1426.060       83.49500 1266.141       158.3357 220.2734 6.470216 206.7771 13.12420 13.49628       14.63244 
1 1 1 0   3  29 o 333.4789 5.862141 3265.365       114.6503 3228.487       131.0908 3385.350       236.4563 331.5198 6.742367 338.6428 11.92441 -7.122986      13.69858 
1 1 1 0   3  30 o 203.5171 5.945372 1217.458       70.88668 1181.364       79.24973 1361.908       158.5394 200.4053 6.752408 214.4002 12.66486 -13.99489      14.35248 
1 1 1 0   3  31 o 523.1282 7.403714 8045.669       227.1476 7994.362       264.7827 8188.654       442.0278 521.2088 8.662185 525.6941 14.35068 -4.485291      16.76232 
1 1 1 0   3  32 o 264.1589 5.864579 2049.697       90.85579 2110.663       104.1499 1855.572       185.8480 267.9957 6.626446 250.2404 12.70496 17.75523       14.32920 
1 1 1 0   3  33 o 247.1921 5.996866 1794.993       86.93797 1784.501       96.81480 1838.687       197.5719 246.3230 6.707964 248.9100 13.58570 -2.587021      15.15150 
1 1 1 0   3  34 o 332.2031 6.315503 3242.464       123.0445 3190.184       137.4360 3453.605       276.1983 329.4278 7.113606 341.3174 13.82649 -11.88962      15.54912 
1 1 1 0   3  35 o 261.4107 8.135856 2012.534       124.5799 1978.335       145.9672 2104.262       239.0585 258.9541 9.628063 265.8513 15.39846 -6.897247      18.16073 
1 1 1 0   3  36 o 254.1891 7.079968 1901.531       105.4424 1884.367       145.5617 1920.481       152.9487 252.6134 9.844014 254.9519 10.24998 -2.338516      14.21150 
1 1 1 0   3  37 o 425.9749 7.472590 5339.999       186.6834 5333.020       260.1846 5347.404       268.0096 424.9753 10.43920 425.3256 10.75293 -0.3503418     14.98674 
1 1 1 0   3  38 o 329.5358 8.510856 3203.591       164.3474 3185.444       281.6299 3212.961       202.3804 326.6532 14.73878 329.5074 10.48591 -2.854187      18.08828 
1 1 1 0   3  39 o 287.7849 7.378568 2441.019       124.4320 2481.547       172.4545 2397.005       179.7171 289.5055 10.17285 284.3526 10.79621 5.152893       14.83391 
1 1 1 0   3  40 o 281.7583 7.604177 2341.986       125.5400 2345.645       175.0026 2338.106       180.1919 281.1769 10.63157 280.6186 10.96998 0.5582886      15.27647 
1 1 1 0   3  41 o 30.29726 14.62121 -118.6526      78.04650 -161.6746      109.6379 -74.45483      111.1260 36.01329 17.36722 42.35694 19.48104 -6.343647      26.09849 
1 1 1 0   3  42 o 406.8016 7.670463 4891.717       183.0015 4868.422       256.5191 4915.860       261.1496 404.0951 10.83372 405.9707 10.97850 -1.875671      15.42391 
1 1 1 0   3  43 o 80.14012 17.10545 204.1332       77.94749 320.0052       113.3079 100.0331       107.3981 99.68391 20.07644 61.02105 22.60513 38.66285       30.23335 
1 1 1 0   3  44 f 64.41592 18.98316 132.8555       76.57098 205.7244       111.4401 67.68588       105.3886 78.81716 22.81033 55.66696 21.94052 23.15020       31.64960 
1 1 1 0   3  45 o 144.8273 13.51698 643.3422       113.4843 623.1779       127.1317 722.4242       251.7689 141.5210 15.57447 141.4222 31.19421 0.9880066E-01  34.86607 
1 1 1 0   3  46 o 61.26989 20.59621 118.2065       87.42728 21.64703       121.9473 220.3225       125.4070 52.09584 22.33031 80.08511 24.45555 -27.98927      33.11671 
1 1 1 0   3  47 o 115.9724 13.76731 418.6509       91.81358 350.5474       129.2851 487.9449       130.4102 101.4120 22.34168 122.5003 18.74739 -21.08829      29.16531 
1 1 1 0   3  48 o 170.2139 10.69474 880.4814       106.2221 960.6204       152.6008 805.1541       147.9487 174.9154 15.02104 159.3046 16.05426 15.61082       21.98570 
1 1 1 0   3  49 o 129.4409 14.72442 529.7010       109.7944 537.6243       154.8165 521.6837       155.7330 125.3163 21.85943 122.9590 22.42170 2.357231       31.31401 
1 1 1 0   3  50 o 66.37074 22.58541 149.7133       105.1425 262.2888       151.4438 44.95841       146.0887 83.57050 27.06547 56.58029 24.34945 26.99022       36.40653 
1 1 1 0   3  51 o 178.5172 12.21663 986.9308       127.1325 1190.472       185.0078 804.8259       174.9947 191.9684 16.59555 154.7672 19.72726 37.20125       25.77939 
1 1 1 0   4  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   4  2  o 291.6974 6.075743 2496.107       103.9399 2497.675       146.8543 2494.533       147.1326 291.6029 8.596442 291.4180 8.618257 0.1848755      12.17264 
1 1 1 0   4  3  o 331.5709 5.947154 3225.103       115.6475 3202.386       148.5682 3260.032       184.2247 330.3582 7.668143 333.1292 9.438931 -2.770966      12.16116 
1 1 1 0   4  4  o 606.6813 10.65152 10806.57       378.9855 10845.77       538.3069 10768.05       533.6561 607.3942 15.11154 605.2219 15.03475 2.172363       21.31672 
1 1 1 0   4  5  o 880.0013 12.09277 22745.27       624.1078 22818.76       882.5879 22671.76       882.6557 880.7116 17.08731 877.8607 17.14412 2.850891       24.20531 
1 1 1 0   4  6  o 339.1063 5.410509 3373.138       107.6030 3295.099       149.5588 3456.884       154.9306 335.1070 7.609882 343.2325 7.696588 -8.125519      10.82348 
1 1 1 0   4  7  o 1229.665 29.46716 44807.02       2125.081 0.000000       0.000000 44807.02       2125.081 ?        ?        1229.665 29.46716 0.000000       29.46716 
1 1 1 0   4  8  o 278.5843 4.937641 2276.549       80.67271 2195.037       110.1003 2371.043       118.5439 273.4231 6.871431 284.1677 7.118623 -10.74463      9.894006 
1 1 1 0   4  9  o 196.6341 4.041241 1134.096       46.60410 1090.611       52.41742 1298.168       101.8175 192.8196 4.635259 210.1287 8.278227 -17.30908      9.487606 
1 1 1 0   4  10 o 348.0443 5.184050 3553.951       105.8167 3528.407       123.1565 3625.991       206.8223 346.7590 6.055906 351.1638 10.05274 -4.404785      11.73591 
1 1 1 0   4  11 o 121.7113 4.163422 435.0651       29.67508 399.9650       32.83379 591.6108       69.34051 116.6602 4.809280 141.6834 8.382288 -25.02325      9.663950 
1 1 1 0   4  12 o 278.3320 4.637675 2272.771       75.70316 2267.176       88.37509 2288.191       146.7226 277.9648 5.421128 278.9467 8.980314 -0.9819336     10.48974 
1 1 1 0   4  13 o 612.7561 7.996401 11024.32       287.3642 10865.42       331.1341 11509.03       578.3354 608.1887 9.283570 624.7261 15.79749 -16.53741      18.32336 
1 1 1 0   4  14 o 588.2027 10.43292 10163.49       359.9012 10163.49       359.9012 0.000000       0.000000 588.2027 10.43292 ?        ?        0.000000       10.43292 
1 1 1 0   4  15 o 823.2513 10.58023 19902.59       510.8322 19957.57       604.4776 19765.21       955.4708 824.1527 12.50610 818.9153 19.89427 5.237427       23.49861 
1 1 1 0   4  16 o 1102.471 14.08329 35716.50       910.5876 35991.48       1087.726 35072.37       1664.766 1106.221 16.76590 1089.714 26.04894 16.50745       30.97810 
1 1 1 0   4  17 o 760.5175 9.928715 16976.93       442.8460 16700.96       510.4535 17816.67       890.4243 754.1827 11.54062 777.7779 19.53596 -23.59515      22.69008 
1 1 1 0   4  18 o 407.6867 6.092348 4875.660       145.6672 4700.802       163.4422 5550.947       321.1926 400.2869 6.962132 434.5591 12.61613 -34.27219      14.40965 
1 1 1 0   4  19 o 678.1210 8.996016 13495.89       357.7733 13553.38       422.6328 13350.51       672.0848 679.4520 10.60606 673.5117 17.02852 5.940369       20.06138 
1 1 1 0   4  20 o 700.7988 9.402601 14415.61       386.4487 14123.52       441.5124 15372.41       799.0928 693.5497 10.85463 722.3666 18.87823 -28.81689      21.77638 
1 1 1 0   4  21 o 594.2420 8.324932 10363.59       290.1313 10103.73       328.9100 11274.78       615.9066 586.6667 9.559500 618.7676 16.98822 -32.10089      19.49317 
1 1 1 0   4  22 o 340.4756 6.076134 3400.992       121.3288 3408.107       138.1382 3376.979       253.7812 340.8069 6.911224 338.7459 12.79724 2.061005       14.54422 
1 1 1 0   4  23 o 132.3193 7.540485 515.5228       58.27355 483.3223       62.93261 709.1573       154.3249 128.0376 8.427702 154.1959 17.36695 -26.15823      19.30381 
1 1 1 0   4  24 o 533.4145 7.522902 8352.192       235.3427 8293.410       273.8950 8518.029       460.0441 531.4337 8.787887 537.7178 14.60147 -6.284058      17.04201 
1 1 1 0   4  25 o 421.1959 8.476299 5210.274       209.3828 5210.274       209.3828 0.000000       0.000000 421.1959 8.476299 ?        ?        0.000000       8.476299 
1 1 1 0   4  26 o 346.5546 6.973278 3526.139       141.7292 3394.168       169.0120 3838.825       260.1551 339.9075 8.478253 360.9165 12.30867 -21.00900      14.94604 
1 1 1 0   4  27 o 149.0352 6.895608 653.6425       60.10812 658.5215       66.17735 630.6437       143.6810 149.5374 7.570495 145.0161 17.23046 4.521317       18.82023 
1 1 1 0   4  28 o 297.7016 7.924609 2606.375       138.2366 2418.782       179.4049 2880.507       216.8741 286.4349 10.69847 312.4328 11.85740 -25.99786      15.97044 
1 1 1 0   4  29 o 277.7667 5.703454 2265.344       92.91133 2173.841       103.2324 2655.531       213.1746 272.0494 6.470199 299.8227 12.14845 -27.77325      13.76402 
1 1 1 0   4  30 o 177.7112 6.356160 928.9089       66.13940 938.9376       73.12196 883.7943       155.0906 178.6122 6.994012 172.0175 15.54057 6.594742       17.04187 
1 1 1 0   4  31 o 197.4303 8.450924 1148.971       97.62539 1147.752       123.3341 1151.017       159.7532 197.0154 10.71445 196.7338 13.93607 0.2816467      17.57878 
1 1 1 0   4  32 o 207.0048 6.250324 1260.130       75.79416 1205.366       82.98272 1535.765       186.1697 202.3784 7.002089 227.3232 14.03255 -24.94479      15.68253 
1 1 1 0   4  33 o 59.22831 16.72731 107.0719       60.64544 93.81071       64.87202 199.0081       170.8082 56.36329 17.65423 83.78905 28.77967 -27.42576      33.76301 
1 1 1 0   4  34 o 303.0009 6.409588 2697.625       113.9002 2597.650       125.4039 3168.771       272.2343 297.2558 7.193332 326.8075 14.23782 -29.55170      15.95179 
1 1 1 0   4  35 o 256.7939 6.639205 1939.372       99.90491 1901.980       109.6952 2121.245       241.9248 254.2186 7.365257 266.8755 15.52387 -12.65691      17.18247 
1 1 1 0   4  36 o 443.8182 6.940279 5792.081       180.6477 5688.663       204.1061 6166.002       388.1037 439.6550 7.915777 455.5627 14.54474 -15.90768      16.55926 
1 1 1 0   4  37 o 357.6045 8.254442 3766.662       173.1176 3775.933       284.2521 3761.196       218.2663 356.4344 13.62303 356.7207 10.44421 -0.2863464     17.16591 
1 1 1 0   4  38 o 100.4398 13.19586 304.6016       75.85261 419.4466       109.2872 197.8540       105.3640 117.3806 16.31579 79.45769 21.90561 37.92290       27.31411 
1 1 1 0   4  39 o 135.3052 10.49657 544.8932       82.64271 572.9380       111.8209 511.1360       122.6816 137.9901 14.01139 129.6010 16.51530 8.389130       21.65812 
1 1 1 0   4  40 o 433.8297 7.908407 5551.240       201.2143 5386.508       275.1334 5740.655       295.0271 426.0427 11.02058 439.6267 11.45242 -13.58401      15.89374 
1 1 1 0   4  41 o 93.94475 15.72370 272.4117       83.57294 303.7368       117.0257 239.8083       119.3897 97.71764 21.04276 86.39086 23.11232 11.32678       31.25663 
1 1 1 0   4  42 o 147.8266 10.29138 653.2494       88.66581 743.6818       126.4038 565.6544       124.4049 156.5897 13.90860 135.6801 15.93756 20.90953       21.15313 
1 1 1 0   4  43 o 133.6120 10.81307 537.0199       84.00814 647.5519       120.8308 433.6001       116.8787 145.4804 14.34852 117.5472 17.48566 27.93326       22.61921 
1 1 1 0   4  44 o 90.30803 15.80237 256.7191       80.64798 213.7856       118.8758 293.3297       109.7741 80.12521 23.66337 94.81253 20.35051 -14.68732      31.21054 
1 1 1 0   4  45 o 57.61307 19.83054 99.86388       81.11040 172.1106       116.7919 32.55416       112.7308 72.54601 23.78695 52.07925 21.85691 20.46676       32.30392 
1 1 1 0   4  46 o 74.94800 19.57191 186.3603       86.94647 97.63093       123.2496 274.2631       122.6742 61.25072 23.84877 89.42454 23.19615 -28.17381      33.26899 
1 1 1 0   4  47 o 136.5500 12.26821 572.3331       97.20174 509.7503       138.7250 632.6910       136.2368 124.6426 19.62570 140.9850 16.80730 -16.34241      25.83899 
1 1 1 0   4  48 o 61.14045 21.43288 118.4454       94.95818 198.7753       136.4601 43.02720       132.2225 75.45894 25.72913 55.20918 23.44535 20.24976       34.80909 
1 1 1 0   4  49 o 68.40099 22.33238 159.9739       102.9950 7.384913       146.3475 309.7163       144.9760 53.51396 23.66628 91.78484 25.84221 -38.27089      35.04158 
1 1 1 0   4  50 o 146.3485 13.09113 668.0914       111.1757 730.7308       168.2312 619.5253       148.1321 147.6111 19.94254 136.5563 19.01115 11.05476       27.55229 
1 1 1 0   4  51 o 147.5394 14.05704 687.1136       120.1650 600.5419       175.8025 763.0273       164.6256 129.6183 24.01042 151.3581 18.96049 -21.73978      30.59412 
1 1 1 0   5  1  o 182.3722 5.089759 976.3387       54.38530 906.8542       72.75958 1064.310       81.86856 175.6655 7.076901 190.3141 7.348734 -14.64865      10.20228 
1 1 1 0   5  2  o 518.7480 9.306973 7898.610       283.1493 7773.719       392.2997 8034.425       409.0953 514.2308 13.01843 522.7538 13.35465 -8.523071      18.65010 
1 1 1 0   5  3  o 798.7069 13.68921 18745.51       641.2338 18905.83       917.8087 18592.64       896.2585 801.2545 19.53130 794.6411 19.23144 6.613403       27.41021 
1 1 1 0   5  4  o 343.9383 6.069332 3470.237       122.4255 3476.893       157.6446 3460.123       194.3250 344.2219 7.808904 343.1935 9.664331 1.028351       12.42491 
1 1 1 0   5  5  o 402.8008 6.318298 4759.868       149.2592 4881.659       213.5093 4643.457       208.7402 407.8311 8.926597 397.7557 8.948273 10.07541       12.63945 
1 1 1 0   5  6  o 739.8946 10.10584 16072.77       438.5233 15722.55       604.5501 16461.66       637.0573 731.3674 14.09439 748.3067 14.51604 -16.93933      20.23283 
1 1 1 0   5  7  o 217.8566 7.527484 1394.443       96.03249 1430.788       138.1630 1360.472       133.5741 220.4659 10.71774 214.9743 10.62756 5.491531       15.09354 
1 1 1 0   5  8  o 286.6546 5.075081 2410.487       85.32033 2338.383       116.8880 2492.717       124.8251 282.1957 7.068233 291.3515 7.311007 -9.155853      10.16911 
1 1 1 0   5  9  o 438.6582 6.611749 5646.833       170.0956 5522.565       234.7125 5784.286       246.8492 433.6476 9.228878 443.7856 9.484360 -10.13803      13.23349 
1 1 1 0   5  10 o 35.09123 9.038619 37.53920       18.71496 37.53920       18.71496 0.000000       0.000000 35.09123 9.038619 ?        ?        0.000000       9.038619 
1 1 1 0   5  11 o 321.6211 5.788562 3035.583       109.1857 3035.583       109.1857 0.000000       0.000000 321.6211 5.788562 ?        ?        0.000000       5.788562 
1 1 1 0   5  12 o 282.0502 6.152228 2334.701       101.7676 2334.701       101.7676 0.000000       0.000000 282.0502 6.152228 ?        ?        0.000000       6.152228 
1 1 1 0   5  13 o 296.0175 7.436730 2573.817       129.0049 2843.204       226.9633 2445.248       156.7961 310.6812 12.48174 288.3884 9.282672 22.29285       15.55512 
1 1 1 0   5  14 o 543.9703 7.323460 8683.956       233.6372 8609.307       272.0214 8893.898       456.1841 541.5478 8.564772 549.7254 14.16138 -8.177612      16.54992 
1 1 1 0   5  15 o 797.0358 13.71094 18670.20       640.9079 18670.20       640.9079 0.000000       0.000000 797.0358 13.71094 ?        ?        0.000000       13.71094 
1 1 1 0   5  16 o 341.6899 7.173047 3425.424       143.7429 3425.424       143.7429 0.000000       0.000000 341.6899 7.173047 ?        ?        0.000000       7.173047 
1 1 1 0   5  17 o 827.7287 10.64752 20113.04       516.8767 19472.67       580.3517 22569.49       1136.654 814.3088 12.15211 874.9283 22.16946 -60.61945      25.28159 
1 1 1 0   5  18 o 179.8087 5.612573 949.2961       59.11408 948.3563       65.77328 953.2450       134.8249 179.6917 6.250760 179.6902 12.87908 0.1541138E-02  14.31582 
1 1 1 0   5  19 o 270.3483 5.854588 2144.006       92.82619 2079.386       102.8710 2427.265       215.3778 266.2301 6.588479 287.1705 12.82056 -20.94040      14.41439 
1 1 1 0   5  20 o 462.5583 7.038129 6277.648       190.9300 6239.749       218.5672 6399.727       392.2718 461.1187 8.082053 466.4019 14.35799 -5.283142      16.47639 
1 1 1 0   5  21 o 318.5845 6.321440 2977.724       118.1112 2910.623       131.3891 3260.283       269.6194 314.9539 7.113147 332.7599 13.84584 -17.80603      15.56612 
1 1 1 0   5  22 o 93.80491 11.28034 262.1902       60.81428 262.1902       60.81428 0.000000       0.000000 93.80491 11.28034 ?        ?        0.000000       11.28034 
1 1 1 0   5  23 o 386.0635 6.114500 4373.174       138.4428 4179.099       152.6761 5270.877       328.3620 377.3692 6.898490 423.1693 13.24718 -45.80011      14.93576 
1 1 1 0   5  24 o 231.4397 5.763563 1571.703       78.23111 1573.142       86.56859 1565.294       182.7024 231.4413 6.383869 230.2401 13.59093 1.201248       15.01556 
1 1 1 0   5  25 o 373.0150 7.939279 4085.855       173.6832 4085.855       173.6832 0.000000       0.000000 373.0150 7.939279 ?        ?        0.000000       7.939279 
1 1 1 0   5  26 f 346.9638 5.871489 3533.315       119.4766 3488.197       135.1025 3695.216       255.9251 344.6953 6.683091 354.0636 12.34372 -9.368256      14.03677 
1 1 1 0   5  27 o 232.0892 6.438430 1582.778       87.55192 1544.477       101.3548 1695.375       173.7805 229.1729 7.551342 239.5615 12.41129 -10.38863      14.52800 
1 1 1 0   5  28 o 414.6891 6.416392 5050.147       156.0501 5072.049       181.7961 4988.831       304.1824 415.4799 7.460775 411.1062 12.63121 4.373749       14.67006 
1 1 1 0   5  29 o 171.3324 6.458169 863.4495       64.77708 854.3574       70.66885 911.2566       162.0480 170.3729 7.088047 174.6835 15.99497 -4.310562      17.49513 
1 1 1 0   5  30 o 205.2133 6.046049 1237.995       72.68653 1199.102       79.86651 1425.597       175.4070 201.8980 6.754512 219.1474 13.71650 -17.24942      15.28940 
1 1 1 0   5  31 o 228.7841 5.912897 1538.474       79.27066 1487.386       88.04221 1757.222       182.1799 224.8771 6.683090 243.5090 12.80157 -18.63194      14.44105 
1 1 1 0   5  32 o 406.1786 6.512152 4848.089       155.1287 4808.400       178.2651 4971.912       314.8703 404.3711 7.516847 409.8109 13.11769 -5.439789      15.11876 
1 1 1 0   5  33 o 270.1685 6.292496 2144.559       99.70300 2087.888       110.6966 2388.112       229.4825 266.4113 7.091166 283.7115 13.83354 -17.30020      15.54514 
1 1 1 0   5  34 o 360.6278 6.617297 3821.824       139.9556 3707.480       156.0712 4291.306       316.2463 355.0846 7.494460 380.4133 14.19980 -25.32870      16.05619 
1 1 1 0   5  35 o 52.11076 21.29779 31.71110       103.1781 -39.53611      119.5142 240.2041       204.4472 47.87518 21.26826 91.44360 31.48343 -43.56842      37.99401 
1 1 1 0   5  36 o 85.52684 18.35330 226.7635       89.30291 159.2625       98.68386 532.0219       209.8575 72.23216 21.61683 129.3608 28.43770 -57.12865      35.72100 
1 1 1 0   5  37 o 562.7966 8.136021 9329.335       268.5431 9119.610       304.2318 10069.22       571.4279 556.0474 9.329153 580.2753 16.80872 -24.22784      19.22411 
1 1 1 0   5  38 o 114.8126 15.07564 399.5776       99.06142 431.7680       108.9942 246.7211       237.5102 119.1868 15.99634 93.35106 33.76977 25.83571       37.36684 
1 1 1 0   5  39 o 116.2206 11.81505 404.6840       79.41393 397.2040       110.0345 412.8159       114.7290 113.8613 16.99767 116.0067 17.39916 -2.145409      24.32389 
1 1 1 0   5  40 o 211.0625 8.396708 1317.141       103.7297 1297.291       140.5187 1340.910       153.7667 208.7061 11.52492 211.9333 12.42573 -3.227264      16.94764 
1 1 1 0   5  41 o 140.2671 10.89899 588.0886       88.95564 578.1437       120.9610 599.8019       131.2756 137.8446 15.21542 140.0722 16.28334 -2.227600      22.28578 
1 1 1 0   5  42 o 287.0287 7.465286 2436.688       125.5606 2364.251       171.0785 2521.265       184.8604 281.6073 10.37634 290.5909 10.86618 -8.983582      15.02472 
1 1 1 0   5  43 o 117.2244 12.14420 417.1411       82.28262 445.6824       114.8495 387.0417       117.9426 119.4174 16.86792 110.2855 18.91547 9.131905       25.34407 
1 1 1 0   5  44 o 68.46980 18.57983 151.5688       76.49503 75.57195       113.6000 214.6151       103.4690 57.88249 22.78982 80.58390 21.49706 -22.70141      31.32889 
1 1 1 0   5  45 o 45.59079 18.62968 32.13944       78.92822 92.74784       113.6079 -24.40755      109.7355 59.91868 23.01302 45.46015 20.27597 14.45853       30.67106 
1 1 1 0   5  46 o 60.43640 20.21454 115.1931       84.22733 95.76043       121.4386 133.2068       116.9207 60.75131 23.66763 65.69579 23.70333 -4.944481      33.49634 
1 1 1 0   5  47 f 43.78358 18.89334 6.659375       88.41463 -0.9044778     128.2431 13.51148       122.0603 50.60259 22.27563 50.93929 22.08988 -0.3367004     31.37143 
1 1 1 0   5  48 o 112.1969 16.74030 405.6297       106.7872 518.9343       140.7271 251.8235       163.9612 125.0198 19.85638 82.87624 28.20388 42.14352       34.49253 
1 1 1 0   5  49 o 78.79859 21.63688 216.1962       103.0284 270.0336       151.3229 169.6733       140.6681 85.16642 27.00192 70.76526 25.92997 14.40116       37.43617 
1 1 1 0   5  50 o 139.5821 14.19516 614.7495       114.5890 768.5331       175.9146 501.4044       151.0247 150.9250 20.39575 120.0505 22.27007 30.87450       30.19839 
1 1 1 0   5  51 o 45.49799 20.49730 -21.25756      115.2539 191.1441       171.3589 -196.7152      155.7449 73.51293 28.25580 41.81239 20.29179 31.70054       34.78717 
1 1 1 0   6  0  f 802.7551 13.78837 18916.67       649.1522 17724.62       833.2658 20757.16       1035.385 776.7394 18.29185 840.0522 21.03229 -63.31287      27.87381 
1 1 1 0   6  1  o 1234.827 29.59678 45147.69       2143.390 0.000000       0.000000 45147.69       2143.390 ?        ?        1234.827 29.59678 0.000000       29.59678 
1 1 1 0   6  2  o 448.3976 6.788588 5898.876       178.5226 5635.029       206.3853 6682.951       355.7803 438.2101 8.030560 476.7925 12.73477 -38.58237      15.05537 
1 1 1 0   6  3  o 464.3510 8.523570 6327.956       232.1231 6328.135       328.0389 6327.775       328.5049 464.0140 12.06458 463.9992 12.08214 0.1477051E-01  17.07431 
1 1 1 0   6  4  o 338.9951 6.809915 3371.618       135.3897 3445.726       195.1005 3302.780       188.0349 342.4684 9.723606 335.2935 9.572103 7.174805       13.64455 
1 1 1 0   6  5  o 746.8997 11.50363 16384.87       503.9039 16518.80       807.8962 16299.60       644.6711 749.0107 18.39149 744.5668 14.76332 4.443909       23.58395 
1 1 1 0   6  6  o 700.8754 10.73681 14426.42       441.3331 14819.14       730.6239 14200.80       553.7800 709.4547 17.55976 695.0580 13.58519 14.39667       22.20141 
1 1 1 0   6  7  o 523.9814 7.655718 8057.959       235.2623 8002.016       330.9746 8115.093       334.4753 521.9366 10.81251 525.6083 10.85054 -3.671631      15.31811 
1 1 1 0   6  8  o 696.6802 9.662254 14255.13       394.7867 14342.26       560.8083 14169.54       555.8500 698.2522 13.69467 694.0412 13.65595 4.210999       19.33983 
1 1 1 0   6  9  o 276.8134 4.986534 2248.081       80.95364 2160.439       110.4305 2349.892       119.0232 271.2113 6.948462 282.8453 7.180976 -11.63400      9.992373 
1 1 1 0   6  10 o 450.4767 6.738175 5956.659       178.0185 5903.187       249.3093 6012.284       254.2766 448.2289 9.483923 452.3422 9.584929 -4.113251      13.48390 
1 1 1 0   6  11 o 304.9903 6.444784 2730.202       115.2776 2750.366       135.1975 2676.498       220.6415 306.0626 7.531960 301.3328 12.51228 4.729767       14.60437 
1 1 1 0   6  12 o 568.0214 7.543670 9472.142       251.3031 9489.367       296.3033 9427.995       474.3436 568.4112 8.888396 565.6757 14.30948 2.735474       16.84532 
1 1 1 0   6  13 o 569.6923 10.26537 9533.772       342.9775 8775.086       432.1778 10824.51       563.7035 546.2061 13.49135 606.0881 15.87225 -59.88202      20.83134 
1 1 1 0   6  14 o 460.5477 8.548163 6225.772       230.8862 6225.772       230.8862 0.000000       0.000000 460.5477 8.548163 ?        ?        0.000000       8.548163 
1 1 1 0   6  15 o 701.3534 9.091991 14437.45       373.9783 14166.12       428.4279 15306.02       766.5313 694.6246 10.51664 720.9367 18.14376 -26.31207      20.97131 
1 1 1 0   6  16 o 843.9775 10.70067 20910.94       529.6539 20493.30       604.2437 22296.23       1100.469 835.3517 12.33367 869.9798 21.56841 -34.62811      24.84584 
1 1 1 0   6  17 o 336.9206 5.448448 3329.679       107.6591 3288.347       123.1780 3463.409       221.5649 334.8070 6.273186 343.2891 11.01929 -8.482025      12.67981 
1 1 1 0   6  18 o 915.9567 11.74926 24636.81       631.1550 24758.86       748.5375 24336.59       1173.970 917.9631 13.90394 908.7460 22.02743 9.217163       26.04856 
1 1 1 0   6  19 o 749.8292 9.932358 16504.78       436.7825 16450.21       511.6594 16651.37       838.6235 748.4379 11.65667 751.8406 19.03444 -3.402710      22.32013 
1 1 1 0   6  20 o 519.0037 7.530813 7904.020       229.2254 7776.351       261.2227 8331.487       477.9923 514.7407 8.653104 532.0824 15.33362 -17.34174      17.60671 
1 1 1 0   6  21 o 398.9820 6.586585 4670.543       154.1218 4686.508       177.6801 4622.026       309.7361 399.6274 7.581112 396.3412 13.34418 3.286194       15.34732 
1 1 1 0   6  22 o 251.1206 5.893657 1850.116       86.79960 1743.955       94.14864 2451.592       224.0986 243.7054 6.593221 288.4802 13.28127 -44.77484      14.82776 
1 1 1 0   6  23 o 560.2622 7.792978 9213.954       256.0621 8862.710       285.4183 10662.79       579.6771 549.3978 8.858176 601.4235 16.44990 -52.02563      18.68332 
1 1 1 0   6  24 o 508.8188 7.285568 7599.843       217.4088 7486.222       250.1185 7951.021       439.7247 504.9095 8.446598 519.4417 14.44826 -14.53226      16.73611 
1 1 1 0   6  25 o 455.9667 7.796054 6105.193       208.4772 6105.193       208.4772 0.000000       0.000000 455.9667 7.796054 ?        ?        0.000000       7.796054 
1 1 1 0   6  26 o 348.1295 5.876989 3557.248       119.9903 3525.907       136.9771 3660.622       248.7711 346.5408 6.739738 352.4128 12.05418 -5.872040      13.81040 
1 1 1 0   6  27 o 342.2714 5.817413 3439.018       116.7753 3493.222       134.7175 3275.211       234.1931 344.9000 6.660096 333.2176 12.00344 11.68234       13.72733 
1 1 1 0   6  28 o 151.1771 7.078162 672.8770       62.58202 736.4528       68.77870 366.9863       150.8659 158.1413 7.436631 108.6386 24.28924 49.50275       25.40218 
1 1 1 0   6  29 o 510.3468 7.397733 7654.633       221.4188 7492.462       253.0605 8184.204       457.2995 504.7224 8.549117 525.7237 14.84663 -21.00131      17.13213 
1 1 1 0   6  30 o 666.7430 9.019570 13084.52       352.6913 13022.62       412.7222 13252.12       679.0745 664.6964 10.58727 667.4288 17.36325 -2.732483      20.33648 
1 1 1 0   6  31 o 215.5058 6.114139 1365.456       77.19791 1373.538       85.87988 1331.436       176.1938 216.0778 6.785306 211.5651 14.28398 4.512680       15.81368 
1 1 1 0   6  32 o 225.6775 8.651954 1501.222       114.3004 1520.252       143.0062 1467.560       190.1922 226.7836 10.78297 222.0507 14.68714 4.732925       18.22044 
1 1 1 0   6  33 o 287.6235 6.483901 2430.898       109.3733 2353.426       120.7575 2784.640       258.0393 282.8335 7.286092 306.2707 14.40618 -23.43716      16.14389 
1 1 1 0   6  34 o 386.7631 9.793867 4410.052       221.9730 4410.052       221.9730 0.000000       0.000000 386.7631 9.793867 ?        ?        0.000000       9.793867 
1 1 1 0   6  35 o 66.50062 17.74490 136.4370       70.48979 150.2474       75.37753 40.18877       198.9917 69.69774 18.23437 69.65182 29.12232 0.4591370E-01  34.35989 
1 1 1 0   6  36 o 365.8712 6.596654 3935.562       141.5476 3960.230       160.1305 3847.400       302.7246 366.8861 7.442044 359.7254 14.37811 7.160706       16.18994 
1 1 1 0   6  37 o 178.3994 8.424278 939.9140       87.89175 935.7830       94.15529 967.9005       245.0707 177.9087 9.053725 176.6624 24.29638 1.246262       25.92845 
1 1 1 0   6  38 o 191.0021 8.016028 1076.991       89.59450 1051.165       95.44851 1268.369       259.8289 188.5894 8.652868 203.0664 22.17729 -14.47697      23.80555 
1 1 1 0   6  39 o 251.5176 7.155329 1864.633       105.4404 1912.930       114.2532 1587.300       273.7848 254.6619 7.658565 227.6925 20.72971 26.96947       22.09920 
1 1 1 0   6  40 o 325.8616 7.544857 3131.174       144.1898 3101.921       195.4594 3166.100       213.5728 323.3954 10.31878 326.4099 11.17308 -3.014404      15.20904 
1 1 1 0   6  41 o 56.33213 19.65659 88.78295       79.81492 160.5047       108.7458 5.028745       117.5142 71.96482 22.89889 51.08520 21.90934 20.87962       31.69193 
1 1 1 0   6  42 o 149.2649 10.08064 665.9975       87.72871 736.5236       120.5921 586.7130       127.8610 155.9351 13.31357 138.0131 16.09870 17.92198       20.89065 
1 1 1 0   6  43 f 168.4378 8.938335 845.7996       87.98106 1004.730       124.7569 688.5547       124.0938 182.5853 11.71237 149.9895 14.27920 32.59579       18.46822 
1 1 1 0   6  44 o 52.30214 18.85129 75.62129       73.92971 -7.821316      108.3540 148.3011       101.1248 47.00714 20.59085 68.14352 22.12032 -21.13637      30.22072 
1 1 1 0   6  45 o 51.54428 19.50151 67.28472       80.80756 79.39329       122.0169 57.82495       107.8485 59.10905 23.50904 54.30251 21.92829 4.806545       32.14848 
1 1 1 0   6  46 o 130.6724 12.04442 522.5324       91.26601 450.9637       129.7764 592.5630       128.3743 117.4599 19.52402 136.9552 16.30224 -19.49529      25.43522 
1 1 1 0   6  47 o 101.2658 16.74426 329.8140       95.97176 288.7126       133.2009 374.1848       138.3973 90.49577 24.50113 104.0823 23.25885 -13.58653      33.78283 
1 1 1 0   6  48 o 90.41696 20.30848 277.0618       105.0520 193.1087       151.7009 354.4170       145.6177 74.74682 26.99555 99.39713 25.00550 -24.65031      36.79722 
1 1 1 0   6  49 o 135.0363 15.62629 581.6986       121.4722 730.8339       164.4967 402.8445       180.1427 148.5219 19.34418 102.3388 28.80391 46.18309       34.69672 
1 1 1 0   6  50 o 60.20235 22.80228 110.0825       110.5484 186.5971       164.2974 46.78443       149.4355 73.09138 27.77180 57.00972 24.58134 16.08167       37.08794 
1 1 1 0   6  51 o 82.17339 23.86992 246.1960       121.8280 110.7976       176.5343 369.3155       168.3394 65.39162 27.39161 97.43001 27.98591 -32.03839      39.16007 
1 1 1 0   7  1  o 325.8404 5.436392 3114.428       103.8882 3100.605       126.3424 3143.287       182.5513 325.0897 6.626673 327.0930 9.526340 -2.003387      11.60448 
1 1 1 0   7  2  o 609.1948 10.75502 10897.39       384.2535 10245.37       499.0801 11846.52       602.1498 590.3701 14.41436 634.4203 16.19691 -44.05029      21.68211 
1 1 1 0   7  3  o 447.4690 8.302917 5876.375       217.8934 5902.008       309.3045 5851.123       307.0040 448.1002 11.77979 446.1664 11.74287 1.933868       16.63305 
1 1 1 0   7  4  o 89.05727 7.361488 234.3196       38.10592 223.8813       51.20795 247.2722       57.04281 86.71627 10.26800 91.11476 10.89025 -4.398491      14.96761 
1 1 1 0   7  5  o 524.2813 8.331206 8067.894       256.1667 7963.569       402.4046 8138.978       332.1654 520.3433 13.19693 526.4197 10.75900 -6.076416      17.02689 
1 1 1 0   7  6  o 404.4332 6.377683 4799.316       151.2726 4731.947       212.2996 4868.797       215.6022 401.4622 9.016832 407.2254 9.027504 -5.763275      12.75928 
1 1 1 0   7  7  o 363.3732 5.913040 3874.221       126.0127 3872.790       177.5568 3875.673       178.8681 363.1996 8.335685 363.3318 8.394195 -0.1321411     11.82988 
1 1 1 0   7  8  o 481.2970 7.124568 6799.609       201.1047 6678.695       277.7573 6932.834       291.5540 476.7721 9.933543 485.7293 10.23468 -8.957214      14.26267 
1 1 1 0   7  9  o 476.1172 7.020970 6654.531       196.0476 6767.294       280.8533 6547.370       273.7879 479.8699 9.979426 472.0172 9.890221 7.852722       14.05010 
1 1 1 0   7  10 o 123.3807 5.001819 447.3757       36.11806 442.6136       50.40477 452.4012       51.78032 122.5876 7.040527 123.9312 7.154568 -1.343651      10.03777 
1 1 1 0   7  11 o 190.4274 4.806999 1064.556       53.64221 1100.808       76.22770 1028.991       75.50060 193.5424 6.725843 187.1042 6.892220 6.438217       9.630144 
1 1 1 0   7  12 o 279.7223 5.202564 2295.560       85.34833 2225.435       119.3305 2369.000       122.1194 275.2483 7.398952 283.9979 7.338089 -8.749573      10.42075 
1 1 1 0   7  13 o 735.2881 14.30432 15901.44       616.8441 17319.15       1134.409 15306.30       735.0015 764.5195 25.33559 720.8830 17.38493 43.63647       30.72667 
1 1 1 0   7  14 o 423.9641 6.026839 5273.112       149.8543 5383.226       178.6283 5011.494       275.3362 428.3314 7.110820 412.9274 11.38029 15.40399       13.41920 
1 1 1 0   7  15 o 988.2474 12.56730 28685.40       728.3799 28830.41       864.5133 28330.63       1352.241 990.4169 14.88343 980.1175 23.52477 10.29938       27.83759 
1 1 1 0   7  16 o 719.9952 9.333661 15214.25       394.1234 14988.02       453.8745 15907.81       794.6899 714.5164 10.83111 735.0829 18.44821 -20.56659      21.39274 
1 1 1 0   7  17 o 301.1235 5.286032 2659.690       93.35229 2584.165       104.7471 2951.263       205.8122 296.8051 6.017557 316.8564 11.09248 -20.05124      12.61959 
1 1 1 0   7  18 o 609.7697 8.189756 10910.83       292.8784 10847.57       341.0870 11088.38       571.4230 607.9214 9.566811 613.9111 15.88425 -5.989624      18.54274 
1 1 1 0   7  19 o 251.8036 6.134934 1860.057       90.59878 1885.494       100.8756 1753.951       206.0266 253.4166 6.793483 243.8576 14.47084 9.559067       15.98614 
1 1 1 0   7  20 o 223.2255 6.730585 1463.319       88.01379 1412.865       96.33939 1717.959       216.4322 219.3005 7.501595 241.2161 15.37917 -21.91560      17.11119 
1 1 1 0   7  21 o 721.9080 9.495637 15300.36       402.0282 15571.85       481.8446 14678.37       729.3272 728.1059 11.28397 706.0569 17.61295 22.04901       20.91755 
1 1 1 0   7  22 o 501.6398 7.075034 7384.656       208.1474 7415.640       243.2418 7299.915       402.2675 502.6231 8.251733 498.0422 13.78530 4.580902       16.06629 
1 1 1 0   7  23 o 523.2339 7.311298 8035.750       224.3577 8068.564       262.6554 7947.189       431.4897 524.2099 8.543398 519.4689 14.17642 4.741028       16.55176 
1 1 1 0   7  24 o 539.0697 8.845882 8535.337       279.6640 8603.627       356.1917 8425.575       451.5772 540.9520 11.22728 534.6782 14.41403 6.273743       18.27063 
1 1 1 0   7  25 o 343.5587 7.641540 3466.110       153.9687 3466.110       153.9687 0.000000       0.000000 343.5587 7.641540 ?        ?        0.000000       7.641540 
1 1 1 0   7  26 o 78.57858 15.01842 188.2504       66.68938 188.2504       66.68938 0.000000       0.000000 78.57858 15.01842 ?        ?        0.000000       15.01842 
1 1 1 0   7  27 o 137.1841 8.613419 555.3963       68.94968 546.3583       78.08564 587.3823       146.8978 135.9229 9.862621 139.5800 18.39203 -3.657074      20.86955 
1 1 1 0   7  28 f 348.4766 6.552547 3566.761       133.9166 3429.173       154.0182 3993.066       271.1086 341.5847 7.688173 367.6994 12.59044 -26.11469      14.75219 
1 1 1 0   7  29 o 463.7610 6.884909 6319.445       187.2591 6450.929       221.9039 5994.190       349.0121 468.3841 8.078156 450.2670 13.23095 18.11710       15.50209 
1 1 1 0   7  30 o 128.1272 8.379912 485.0211       62.62408 527.7527       68.75056 276.8074       151.7596 133.6235 8.822256 94.24821 26.40587 39.37531       27.84066 
1 1 1 0   7  31 o 175.1076 6.994859 902.7471       71.69017 883.1074       78.19203 1006.324       179.5677 173.1133 7.721039 183.2171 16.90176 -10.10382      18.58181 
1 1 1 0   7  32 o 324.0322 6.210584 3084.815       118.0242 3067.208       133.6517 3147.175       251.5242 323.0164 7.055042 325.9392 13.18530 -2.922852      14.95412 
1 1 1 0   7  33 o 25.44282 12.62184 -171.3133      71.67875 -101.8302      77.40603 -589.4120      189.8779 31.53332 15.04265 37.38767 18.83330 -5.854349      24.10341 
1 1 1 0   7  34 o 170.7022 8.465423 859.6296       84.48533 787.3743       90.83186 1323.152       230.0589 163.2170 9.530502 209.7437 18.90519 -46.52666      21.17160 
1 1 1 0   7  35 o 97.02919 13.20313 283.6529       73.18551 272.8593       78.06899 361.9194       210.2252 94.87537 14.48931 107.0616 31.42846 -12.18619      34.60763 
1 1 1 0   7  36 o 138.3830 9.656280 567.4507       77.87708 554.8771       82.56538 668.8286       234.4445 136.7234 10.37429 145.2276 28.54405 -8.504227      30.37085 
1 1 1 0   7  37 o 398.1279 6.921135 4663.905       161.6034 4623.871       181.0816 4820.540       358.1808 396.2346 7.792404 401.8617 15.22514 -5.627075      17.10340 
1 1 1 0   7  38 o 144.3487 9.679626 618.2485       81.47124 601.1497       85.78101 775.7006       260.3048 142.2084 10.35624 155.1671 29.68557 -12.95868      31.44018 
1 1 1 0   7  39 o 70.46196 18.91610 155.2691       79.80325 133.1491       83.84296 368.3626       260.2311 65.91131 19.96987 107.1117 35.52431 -41.20039      40.75258 
1 1 1 0   7  40 o 205.3575 8.135237 1246.842       97.78475 1194.721       103.9486 1647.638       288.2535 200.8621 8.845790 230.8120 21.54325 -29.94994      23.28861 
1 1 1 0   7  41 o 158.0746 9.969928 744.5795       91.95741 815.0603       128.8158 671.3372       131.3151 164.3642 13.48160 148.4539 15.30141 15.91032       20.39330 
1 1 1 0   7  42 o 171.9255 9.001300 879.8583       90.44418 941.4907       125.9834 814.3120       129.9223 176.7710 12.22746 163.7960 13.64869 12.97501       18.32478 
1 1 1 0   7  43 o 105.2871 13.34544 340.1527       80.55743 290.1761       112.9220 391.9459       114.9560 94.24284 20.97106 111.1542 18.26827 -16.91132      27.81214 
1 1 1 0   7  44 o 113.7576 12.59671 395.6582       82.63384 422.1870       118.3529 370.4253       115.4259 115.1868 18.11725 107.3282 19.03437 7.858643       26.27816 
1 1 1 0   7  45 o 182.6523 9.224378 999.3441       98.49282 1078.647       142.1764 926.1699       136.5724 187.8753 12.98334 173.7392 13.50948 14.13609       18.73695 
1 1 1 0   7  46 o 210.2239 8.895424 1323.809       109.4250 1382.820       155.4701 1265.877       154.0405 212.7002 12.51852 203.1586 12.99669 9.541656       18.04515 
1 1 1 0   7  47 o 70.35406 21.27867 166.8997       95.25129 240.4677       136.9840 98.03043       132.5374 82.32101 25.63426 61.75907 24.52149 20.56195       35.47420 
1 1 1 0   7  48 o 93.72005 19.61473 294.9522       104.3454 376.8943       153.9280 225.2825       141.9339 101.9482 25.74352 79.18728 26.23453 22.76088       36.75567 
1 1 1 0   7  49 o 73.14099 22.49768 186.9883       105.8877 119.8542       155.3810 245.1986       144.6859 65.41152 26.35383 81.57037 26.45763 -16.15885      37.34341 
1 1 1 0   7  50 o 69.23814 26.19004 161.5749       145.7240 159.0926       156.6455 177.5371       397.2282 69.41532 26.92583 81.09324 37.12402 -11.67792      45.86059 
1 1 1 0   7  51 o 120.3175 17.07373 474.3889       117.0988 740.6954       173.5768 251.9562       158.6355 147.4241 20.64061 81.10804 27.73901 66.31611       34.57582 
1 1 1 0   8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   8  1  o 779.5118 9.505779 17839.23       434.5712 17885.88       614.7785 17792.65       614.3746 780.0730 13.43795 778.0339 13.46431 2.039124       19.02278 
1 1 1 0   8  2  o 782.7449 11.03044 17995.53       506.3647 18588.98       647.7025 17062.64       812.0717 795.1704 13.88880 761.1276 18.19225 34.04279       22.88792 
1 1 1 0   8  3  o 520.2468 7.677096 7943.186       234.2377 7995.846       289.0797 7842.512       399.7010 521.8588 9.445265 516.3578 13.20963 5.500916       16.23907 
1 1 1 0   8  4  f 318.0406 6.664478 2968.045       124.3080 3049.614       178.8434 2891.804       172.9033 322.1346 9.476704 313.6866 9.409099 8.447998       13.35436 
1 1 1 0   8  5  o 612.6157 9.601590 11021.49       344.9704 11192.98       559.5101 10916.31       438.1636 616.4408 15.48853 609.4016 12.25977 7.039246       19.75339 
1 1 1 0   8  6  o 398.4913 6.901688 4660.450       161.2964 4688.963       255.6748 4641.600       207.8851 399.3041 10.92804 397.5715 8.915742 1.732544       14.10363 
1 1 1 0   8  7  o 781.3133 10.84602 17944.04       496.9884 17709.06       694.3377 18190.90       711.6786 775.2623 15.27114 785.6957 15.44468 -10.43341      21.71972 
1 1 1 0   8  8  o 94.42070 6.025437 262.7013       33.19207 302.8863       49.44510 229.7387       44.78191 101.2062 8.406210 88.00201 8.794466 13.20417       12.16581 
1 1 1 0   8  9  o 168.8560 4.812013 837.2080       47.60478 827.6083       66.95360 847.0226       67.69925 167.7707 6.818883 169.7306 6.814863 -1.959885      9.640515 
1 1 1 0   8  10 o 300.1100 5.298486 2642.685       93.25727 2631.089       130.5995 2654.750       133.2106 299.3625 7.438643 300.6048 7.562012 -1.242310      10.60742 
1 1 1 0   8  11 f 204.8889 4.832170 1231.540       58.06457 1215.650       81.24228 1248.133       83.01793 203.4044 6.820022 206.1037 6.877719 -2.699219      9.685851 
1 1 1 0   8  12 o 537.9910 7.866007 8495.472       248.1875 8237.336       339.2953 8792.541       363.9841 529.5186 10.92562 547.0330 11.34536 -17.51447      15.75076 
1 1 1 0   8  13 o 275.3131 5.861783 2223.635       94.64705 2028.771       140.1129 2387.181       128.3603 262.7350 9.106817 285.1100 7.683584 -22.37497      11.91518 
1 1 1 0   8  14 f 619.6391 10.97403 11273.56       398.8004 11273.56       398.8004 0.000000       0.000000 619.6391 10.97403 ?        ?        0.000000       10.97403 
1 1 1 0   8  15 o 602.4340 10.68194 10654.38       377.4073 10654.38       377.4073 0.000000       0.000000 602.4340 10.68194 ?        ?        0.000000       10.68194 
1 1 1 0   8  16 o 603.5125 8.048699 10687.35       284.8804 10695.02       334.2800 10667.00       544.5145 603.6567 9.442127 602.2281 15.42964 1.428589       18.08943 
1 1 1 0   8  17 f 279.6829 6.919055 2294.907       113.4915 2294.907       113.4915 0.000000       0.000000 279.6829 6.919055 ?        ?        0.000000       6.919055 
1 1 1 0   8  18 o 224.5190 5.862713 1479.734       77.13127 1458.787       84.70601 1581.392       186.6043 222.8966 6.486681 231.5787 13.80217 -8.682129      15.25047 
1 1 1 0   8  19 o 465.6201 7.002587 6361.059       191.2233 6342.839       220.5788 6416.173       383.6328 464.9089 8.089940 467.0271 14.02217 -2.118225      16.18853 
1 1 1 0   8  20 o 397.9441 6.391974 4646.086       149.1790 4771.524       174.7553 4309.151       286.4114 403.2455 7.389419 382.7374 12.77757 20.50809       14.76041 
1 1 1 0   8  21 o 786.7252 10.15237 18175.39       468.4260 18242.60       552.1382 18002.79       884.8593 787.9629 11.94790 781.5305 19.30536 6.432434       22.70350 
1 1 1 0   8  22 o 659.5610 8.774403 12772.27       339.4088 12909.92       403.1572 12437.29       628.9196 662.9431 10.36926 649.6251 16.52092 13.31793       19.50545 
1 1 1 0   8  23 o 765.4753 9.962321 17214.82       447.2416 17353.21       530.8875 16876.48       830.0886 768.2571 11.78271 756.1140 18.71917 12.14313       22.11876 
1 1 1 0   8  24 o 382.5717 8.011229 4297.978       179.7473 4297.978       179.7473 0.000000       0.000000 382.5717 8.011229 ?        ?        0.000000       8.011229 
1 1 1 0   8  25 o 421.5924 6.405427 5217.581       158.3768 5040.873       176.5082 5947.563       358.7505 414.3286 7.263893 449.0710 13.63737 -34.74237      15.45128 
1 1 1 0   8  26 o 388.8806 6.118983 4439.642       139.5552 4335.405       157.2257 4826.744       302.9895 384.2226 6.977342 404.5061 12.78786 -20.28351      14.56752 
1 1 1 0   8  27 o 434.1460 6.506387 5535.251       165.6633 5474.033       189.2088 5736.322       342.9077 431.6362 7.474342 440.7299 13.28159 -9.093781      15.24029 
1 1 1 0   8  28 o 377.5170 6.807328 4186.820       150.7175 4032.735       172.6010 4681.522       309.2670 370.3830 7.945875 397.9692 13.26909 -27.58618      15.46628 
1 1 1 0   8  29 o 355.3214 6.645259 3709.418       138.4789 3583.591       159.6490 4091.730       278.2834 349.1155 7.797343 371.9983 12.77441 -22.88278      14.96610 
1 1 1 0   8  30 o 139.0237 8.037233 570.3820       65.25150 587.3112       70.94436 477.4160       166.2498 141.0123 8.619663 124.0152 23.72197 16.99709       25.23946 
1 1 1 0   8  31 o 325.3998 8.316606 3117.620       158.5834 3049.223       205.4758 3218.378       249.3914 321.3350 10.91901 329.6798 12.92352 -8.344788      16.91869 
1 1 1 0   8  32 o 323.4805 6.346048 3074.567       120.3932 3043.113       135.4604 3192.829       262.6646 321.7318 7.179066 328.1754 13.67722 -6.443573      15.44686 
1 1 1 0   8  33 o 147.7305 11.69701 648.2115       100.5169 735.8543       113.8787 339.1007       213.8658 157.3347 12.44271 104.4491 31.94442 52.88560       34.28217 
1 1 1 0   8  34 o 468.1081 7.338484 6443.194       201.4666 6257.024       225.2585 7187.474       450.3967 461.1142 8.329565 491.7945 15.63555 -30.68033      17.71587 
1 1 1 0   8  35 o 213.8711 7.269474 1346.834       91.04873 1295.636       97.96292 1671.602       246.7293 209.6726 7.981109 235.9735 17.96316 -26.30093      19.65638 
1 1 1 0   8  36 o 143.2423 9.750953 608.0515       81.42764 596.4816       86.25599 702.8020       246.8405 141.7560 10.44865 148.5422 29.37565 -6.786209      31.17857 
1 1 1 0   8  37 o 240.9259 7.101425 1709.884       100.2317 1658.964       107.7734 2035.983       272.7375 237.2036 7.757549 259.8403 18.00874 -22.63672      19.60852 
1 1 1 0   8  38 o 343.3982 7.578461 3474.062       152.6264 3394.106       171.7764 3773.876       332.6333 339.0786 8.645041 354.7213 16.03067 -15.64273      18.21316 
1 1 1 0   8  39 o 199.5393 8.197937 1176.545       95.73212 1193.818       102.1913 1052.723       273.6110 200.9059 8.693604 182.3605 26.34586 18.54546       27.74317 
1 1 1 0   8  40 o 171.3061 9.414000 871.1093       94.21601 929.3981       100.8361 470.4068       264.3834 176.8823 9.758140 117.5230 35.43044 59.35934       36.74965 
1 1 1 0   8  41 o 232.7386 7.496108 1601.664       102.1852 1638.833       109.9454 1365.895       276.9026 235.2974 7.978810 207.6873 23.12528 27.61008       24.46303 
1 1 1 0   8  42 o 54.01468 21.31789 59.92122       99.61169 78.78195       109.7490 -28.25702      237.3023 58.26421 22.55488 66.55967 29.74279 -8.295464      37.32768 
1 1 1 0   8  43 o 135.1677 10.87415 550.6482       85.47543 488.6570       121.5950 611.2034       120.1784 124.8438 17.05252 140.9082 14.76134 -16.06442      22.55405 
1 1 1 0   8  44 o 163.4982 10.04626 802.7067       95.86624 851.5161       137.1876 756.1263       134.0186 166.5196 14.18233 156.5547 14.77110 9.964905       20.47740 
1 1 1 0   8  45 o 48.52290 19.66779 42.16725       87.12602 178.5657       129.0069 -72.21762      118.1388 73.55457 25.01777 43.02338 19.89420 30.53119       31.96354 
1 1 1 0   8  46 o 78.39290 19.66547 204.8938       90.24823 199.8430       129.2086 209.7051       126.1084 76.39236 25.01783 77.99384 24.64008 -1.601479      35.11446 
1 1 1 0   8  47 o 100.7161 17.20001 328.6171       97.95142 242.3733       141.2394 408.5338       135.9599 82.32747 26.08492 109.5666 21.92433 -27.23909      34.07490 
1 1 1 0   8  48 o 61.17280 22.08148 117.3398       101.4820 -12.64535      149.2663 229.0643       138.3850 52.44611 23.50125 79.68874 25.87724 -27.24263      34.95626 
1 1 1 0   8  49 o 79.66192 21.42352 221.1126       102.2524 348.4828       146.8118 101.1174       142.4982 97.53169 25.41420 62.14647 25.16625 35.38522       35.76621 
1 1 1 0   8  50 o 76.62267 22.78349 209.7099       109.8973 206.7610       158.8618 212.4163       152.1893 75.30338 27.56183 76.02248 27.08900 -0.7191086     38.64542 
1 1 1 0   8  51 o 112.8713 21.92241 446.4190       139.8864 486.3113       150.5486 194.3373       378.4450 117.2332 22.71704 80.31909 36.56475 36.91410       43.04700 
1 1 1 0   9  1  o 395.3138 6.282561 4585.335       145.6563 4327.870       233.3024 4749.793       186.4602 383.7122 10.37676 402.2686 7.903501 -18.55643      13.04387 
1 1 1 0   9  2  o 411.2287 7.995007 4964.000       192.8203 5139.073       279.4608 4804.924       266.3870 418.0415 11.40925 404.2283 11.24756 13.81323       16.02119 
1 1 1 0   9  3  o 489.0252 7.315895 7018.965       209.8211 7082.313       259.5731 6899.544       356.3977 491.1129 9.012136 484.2626 12.55944 6.850342       15.45827 
1 1 1 0   9  4  o 800.4258 11.24387 18829.93       527.8217 18926.92       651.0562 18643.94       901.5820 802.0159 13.84156 794.6990 19.34426 7.316956       23.78632 
1 1 1 0   9  5  o 296.7259 5.828563 2583.587       101.4302 2526.444       155.6788 2625.737       133.7040 293.1470 9.065999 298.9678 7.631756 -5.820801      11.85057 
1 1 1 0   9  6  o 827.3276 12.63006 20139.98       612.8208 20172.91       977.2090 20118.63       786.7489 825.8214 20.17673 825.9692 16.24134 -0.1478271     25.90138 
1 1 1 0   9  7  o 407.8235 6.446057 4881.700       154.1761 4749.870       213.7782 5024.587       222.5628 402.0955 9.065331 413.5506 9.176421 -11.45508      12.89911 
1 1 1 0   9  8  o 134.0937 5.426781 528.4870       42.58956 589.1679       62.92136 477.1789       57.85816 141.4494 7.612893 127.2405 7.790687 14.20889       10.89270 
1 1 1 0   9  9  o 284.5568 5.214282 2375.809       87.01898 2364.268       123.5632 2387.166       122.5696 283.6824 7.433283 285.0606 7.337639 -1.378143      10.44484 
1 1 1 0   9  10 o 582.9008 8.264478 9976.332       282.5274 10048.43       402.4280 9906.259       396.7409 584.6195 11.73720 580.4797 11.65385 4.139771       16.54007 
1 1 1 0   9  11 o 372.5218 6.005895 4071.668       131.2139 4086.431       185.1960 4056.786       185.9354 373.0915 8.463804 371.7325 8.528664 1.359039       12.01558 
1 1 1 0   9  12 o 950.5537 18.58507 26615.91       1036.075 26061.24       1704.893 26940.70       1304.615 936.3033 31.09087 955.1052 23.29060 -18.80188      38.84706 
1 1 1 0   9  13 o 729.3840 14.91776 15639.10       638.1320 0.000000       0.000000 15639.10       638.1320 ?        ?        729.3840 14.91776 0.000000       14.91776 
1 1 1 0   9  14 o 755.2037 10.34552 16742.36       458.2126 16330.22       624.7275 17222.23       674.1072 745.4863 14.28895 765.4943 15.01539 -20.00793      20.72766 
1 1 1 0   9  15 o 658.9510 9.493661 12744.12       366.8912 12191.65       420.6374 14501.09       750.1330 644.4034 11.13011 701.8416 18.23967 -57.43811      21.36738 
1 1 1 0   9  16 o 312.0719 7.069284 2857.251       129.3840 2857.251       129.3840 0.000000       0.000000 312.0719 7.069284 ?        ?        0.000000       7.069284 
1 1 1 0   9  17 o 364.9253 5.964876 3906.536       127.6603 3886.017       144.2589 3980.628       274.1219 363.9463 6.758570 367.9054 12.72363 -3.959167      14.40726 
1 1 1 0   9  18 o 918.7750 11.78141 24791.99       634.8293 24856.87       748.8386 24626.26       1196.904 919.6998 13.88326 913.8672 22.33190 5.832642       26.29560 
1 1 1 0   9  19 o 1114.999 14.14494 36543.94       924.9663 36269.37       1077.374 37313.73       1803.931 1110.310 16.54518 1122.973 27.39051 -12.66248      31.99973 
1 1 1 0   9  20 o 323.2160 6.094017 3064.917       115.5173 3066.893       129.2287 3057.055       257.6961 323.3004 6.815569 322.1964 13.66861 1.104034       15.27360 
1 1 1 0   9  21 f 389.5449 6.245250 4452.314       142.6783 4275.287       157.2748 5275.418       339.1299 381.6929 7.025779 423.3450 13.67702 -41.65213      15.37603 
1 1 1 0   9  22 o 288.6591 5.725173 2444.776       96.92243 2394.283       107.4769 2664.643       224.2751 285.6418 6.415685 300.7529 12.74401 -15.11108      14.26783 
1 1 1 0   9  23 o 462.7219 7.993917 6286.741       216.9353 6286.741       216.9353 0.000000       0.000000 462.7219 7.993917 ?        ?        0.000000       7.993917 
1 1 1 0   9  24 o 201.4774 6.388755 1192.690       75.39524 1192.690       75.39524 0.000000       0.000000 201.4774 6.388755 ?        ?        0.000000       6.388755 
1 1 1 0   9  25 o 351.5462 6.420832 3628.130       132.3806 3474.410       150.8219 4143.941       276.2767 343.9482 7.476886 374.8882 12.58369 -30.94006      14.63738 
1 1 1 0   9  26 o 491.2706 7.716706 7090.842       222.3327 6802.308       255.0068 8005.321       453.9828 480.9995 9.039754 520.4201 14.88955 -39.42065      17.41883 
1 1 1 0   9  27 o 165.6254 8.853307 809.0024       85.68447 809.0024       85.68447 0.000000       0.000000 165.6254 8.853307 ?        ?        0.000000       8.853307 
1 1 1 0   9  28 o 488.9535 7.088095 7025.000       203.2580 6947.485       233.4062 7268.258       413.4807 486.0820 8.187519 495.6087 14.24021 -9.526672      16.42617 
1 1 1 0   9  29 o 592.4895 8.137421 10325.14       282.7600 10274.29       328.2459 10471.41       556.7445 590.7115 9.474873 593.8986 15.99885 -3.187134      18.59399 
1 1 1 0   9  30 o 267.3801 6.061431 2100.163       95.05057 2128.404       107.3598 1997.757       204.4393 269.0234 6.810051 259.5295 13.47776 9.493958       15.10056 
1 1 1 0   9  31 o 169.6476 7.215672 847.6605       71.62787 832.6081       77.87141 930.3973       182.5682 168.0557 7.923165 175.8464 17.95445 -7.790619      19.62495 
1 1 1 0   9  32 o 78.67348 15.87552 190.1736       70.72118 175.6038       75.66296 290.9075       198.9498 75.34553 17.46420 97.65195 30.96099 -22.30643      35.54689 
1 1 1 0   9  33 o 262.9345 9.454765 2038.794       145.5597 2038.794       145.5597 0.000000       0.000000 262.9345 9.454765 ?        ?        0.000000       9.454765 
1 1 1 0   9  34 o 41.98119 18.35240 -16.85383      85.69572 -3.106406      92.57342 -99.19557      226.5613 45.35192 19.44808 63.64167 28.69876 -18.28975      34.66766 
1 1 1 0   9  35 o 153.6361 9.299161 698.1600       83.39679 691.3834       89.18429 745.3477       235.3399 152.7818 10.00838 154.2029 27.00629 -1.421051      28.80117 
1 1 1 0   9  36 o 217.1147 7.556174 1389.190       96.06809 1328.230       102.6150 1821.711       273.3319 212.1877 8.261729 245.5915 19.12769 -33.40376      20.83566 
1 1 1 0   9  37 o 55.74949 19.45912 84.57190       78.22263 112.8264       83.11351 -134.5241      231.4433 61.87257 20.05150 61.67889 28.27398 0.1936798      34.66238 
1 1 1 0   9  38 o 95.78210 17.95698 284.5139       97.16644 181.6511       105.7674 840.9136       245.9893 76.30189 22.26300 162.8522 26.67858 -86.55030      34.74749 
1 1 1 0   9  39 o 331.4990 7.048051 3237.422       137.0256 3202.490       151.3233 3396.517       322.9358 329.5271 7.830041 335.7375 16.45092 -6.210327      18.21928 
1 1 1 0   9  40 o 154.0371 10.42761 707.2007       93.64686 752.9434       100.4511 403.4591       258.8488 158.8589 10.84692 109.5361 35.37700 49.32281       37.00253 
1 1 1 0   9  41 o 129.5485 11.45912 504.7409       86.16620 472.4576       91.14947 776.0030       264.2167 124.9749 12.60820 151.0578 30.86773 -26.08295      33.34341 
1 1 1 0   9  42 o 142.9934 10.20122 612.8866       84.98783 617.4128       90.40732 578.4937       249.2141 143.3252 10.83576 126.9932 33.12197 16.33202       34.84937 
1 1 1 0   9  43 o 86.22260 21.15091 244.8584       106.1321 286.6090       117.2291 55.12522       249.9055 93.10704 21.84698 72.60636 31.54590 20.50068       38.37231 
1 1 1 0   9  44 o 148.4584 10.61783 664.6041       91.83624 679.7734       130.9305 649.9138       128.8467 148.0115 15.30373 144.6311 15.42804 3.380371       21.73082 
1 1 1 0   9  45 o 158.1146 10.54559 755.6264       97.23076 648.8777       133.6457 875.6622       141.7193 143.6183 16.14637 168.0935 14.51780 -24.47519      21.71340 
1 1 1 0   9  46 o 153.9209 11.15469 720.4870       100.0112 660.3806       139.0871 784.8347       143.9106 144.1566 16.76369 157.9729 15.74251 -13.81638      22.99669 
1 1 1 0   9  47 o 78.52895 21.43404 211.6056       101.4549 -63.50228      143.5472 486.1902       143.4106 47.95261 22.08605 120.2043 21.11277 -72.25172      30.55393 
1 1 1 0   9  48 o 56.88589 21.91871 89.35164       103.2930 57.92147       146.5658 120.3671       145.5957 58.23910 24.70621 64.89215 25.72176 -6.653053      35.66519 
1 1 1 0   9  49 o 135.2384 14.45157 577.9370       112.8469 508.4568       160.1441 646.4633       159.0409 119.9892 23.59843 138.7037 20.13922 -18.71449      31.02377 
1 1 1 0   9  50 o 157.4045 12.58147 770.5179       115.1784 801.4338       156.7587 734.2463       169.7949 156.6656 17.35167 147.3700 20.17465 9.295609       26.61009 
1 1 1 0   9  51 o 52.57492 21.83512 55.73145       110.7763 308.8109       153.7442 -217.5106      159.7511 89.32572 27.03755 41.41946 20.20215 47.90626       33.75138 
1 1 1 0   10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10 1  o 822.8055 11.54599 19904.24       557.1588 20100.42       976.6410 19809.59       678.3796 824.6460 20.19374 820.3229 14.10059 4.323120       24.62954 
1 1 1 0   10 2  o 272.6118 5.332742 2180.518       85.26010 2232.338       102.8082 2066.375       152.5810 275.7988 6.356016 265.0168 9.834003 10.78204       11.70925 
1 1 1 0   10 3  o 689.9565 9.824016 13987.80       397.5221 13735.02       474.7429 14580.84       727.1573 683.3780 11.84533 702.6181 17.66050 -19.24011      21.26511 
1 1 1 0   10 4  o 324.9125 5.631708 3097.791       107.3142 3131.789       132.1493 3031.957       183.8947 326.6344 6.898463 321.0713 9.777405 5.563049       11.96605 
1 1 1 0   10 5  o 345.4802 7.143644 3503.999       144.7417 3665.612       211.6512 3362.013       198.3836 352.9980 10.23426 338.0742 10.01665 14.92380       14.32038 
1 1 1 0   10 6  o 195.8808 5.598858 1126.856       64.25338 1216.629       101.4291 1066.683       83.04062 203.3434 8.524054 190.4594 7.448622 12.88405       11.31996 
1 1 1 0   10 7  o 607.2888 9.418476 10835.81       335.4489 10561.98       520.3029 11030.60       438.8280 598.7029 14.81816 612.3137 12.21996 -13.61078      19.20691 
1 1 1 0   10 8  o 484.4680 7.323787 6890.183       208.0901 7021.035       298.8016 6766.957       289.9649 488.7700 10.42385 479.8569 10.30346 8.913025       14.65667 
1 1 1 0   10 9  o 269.6762 5.247898 2133.669       83.00009 2125.089       117.0605 2142.344       117.7018 268.9625 7.428210 270.0524 7.438725 -1.089905      10.51251 
1 1 1 0   10 10 o 329.0133 5.728904 3175.924       110.5441 3196.188       156.7037 3155.851       155.9648 329.9769 8.097394 327.8876 8.110566 2.089355       11.46076 
1 1 1 0   10 11 o 254.9465 7.366444 1908.932       110.0277 1908.932       110.0277 0.000000       0.000000 254.9465 7.366444 ?        ?        0.000000       7.366444 
1 1 1 0   10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   10 13 o 606.7229 12.66360 10812.13       450.6070 10023.91       699.5186 11371.18       589.1177 583.0645 20.48838 621.6822 16.17156 -38.61774      26.10159 
1 1 1 0   10 14 o 360.1547 6.061463 3805.005       128.0316 3845.244       180.7501 3764.485       181.3794 361.9905 8.513946 358.1654 8.634832 3.825134       12.12632 
1 1 1 0   10 15 o 611.0280 12.47809 10965.20       447.1568 0.000000       0.000000 10965.20       447.1568 ?        ?        611.0280 12.47809 0.000000       12.47809 
1 1 1 0   10 16 o 479.4352 6.855154 6743.617       192.7514 6566.313       216.5372 7420.274       423.0159 473.0562 7.804935 502.2921 14.37463 -29.23593      16.35686 
1 1 1 0   10 17 o 671.3416 8.984813 13227.93       353.7554 13021.58       406.2899 13874.66       719.2788 665.9845 10.40211 686.4285 17.88222 -20.44397      20.68762 
1 1 1 0   10 18 o 366.6214 6.342126 3943.306       136.3651 3818.570       151.1319 4489.665       316.2997 360.7534 7.143239 390.6082 13.82906 -29.85474      15.56499 
1 1 1 0   10 19 f 411.0115 6.516162 4956.358       157.0711 5015.143       180.9831 4776.946       316.1791 413.4069 7.464656 402.9325 13.39846 10.47446       15.33753 
1 1 1 0   10 20 o 195.0865 6.790370 1118.092       77.57261 1118.092       77.57261 0.000000       0.000000 195.0865 6.790370 ?        ?        0.000000       6.790370 
1 1 1 0   10 21 o 430.4435 6.561875 5436.940       165.6512 5191.100       182.0623 6619.119       399.2415 420.5606 7.381436 474.0995 14.37533 -53.53894      16.15969 
1 1 1 0   10 22 o 1033.992 15.48370 31493.79       938.9503 31042.30       1171.749 32303.88       1569.545 1025.200 19.48837 1043.094 25.65664 -17.89453      32.21893 
1 1 1 0   10 23 f 438.0700 6.620347 5632.817       170.0884 5392.013       187.8498 6728.610       400.7218 428.5473 7.474144 477.7321 14.31853 -49.18475      16.15188 
1 1 1 0   10 24 o 314.9453 5.777344 2911.128       106.7122 2895.978       119.8177 2969.241       234.6628 314.0889 6.504561 317.3135 12.63497 -3.224670      14.21097 
1 1 1 0   10 25 o 394.9478 6.160886 4579.217       142.7031 4531.909       162.3514 4739.945       299.2523 392.8339 7.046876 400.8773 12.74465 -8.043335      14.56312 
1 1 1 0   10 26 o 385.1970 8.007878 4360.575       180.9051 4360.575       180.9051 0.000000       0.000000 385.1970 8.007878 ?        ?        0.000000       8.007878 
1 1 1 0   10 27 o 481.7565 6.919775 6818.287       195.5105 6763.944       224.3166 6990.050       398.7995 479.6882 7.973550 486.2088 14.00018 -6.520599      16.11157 
1 1 1 0   10 28 o 245.6212 6.723305 1773.842       96.75880 1688.004       107.7020 2133.016       220.3116 239.5014 7.677619 268.2133 14.05480 -28.71185      16.01509 
1 1 1 0   10 29 o 112.1039 11.05906 374.1730       71.76318 333.8759       78.97566 565.0563       171.8858 105.5015 13.04128 135.5605 22.40181 -30.05897      25.92134 
1 1 1 0   10 30 o 82.56365 12.93110 206.2663       60.56068 206.1293       64.64895 207.2484       173.0469 82.35631 13.87770 85.06006 28.97430 -2.703751      32.12632 
1 1 1 0   10 31 o 367.7809 6.342649 3974.378       136.8077 3902.284       152.7528 4266.625       307.5500 364.3314 7.148948 379.3911 13.84545 -15.05969      15.58217 
1 1 1 0   10 32 o 317.4931 6.488721 2962.023       120.8214 2986.849       135.4713 2865.499       267.1203 318.7393 7.247046 310.6150 14.70513 8.124390       16.39392 
1 1 1 0   10 33 o 256.8625 7.124164 1941.136       107.2175 1836.827       116.4445 2522.168       274.8257 249.7569 7.959868 290.9450 16.16991 -41.18817      18.02291 
1 1 1 0   10 34 o 87.17302 16.65152 233.4235       82.02743 262.0160       88.53022 59.96319       218.0546 92.42212 16.95769 74.08720 30.69017 18.33492       35.06351 
1 1 1 0   10 35 o 479.0289 7.443141 6751.487       209.1070 6599.011       235.3918 7322.128       455.3780 473.3531 8.479215 495.7822 15.68112 -22.42911      17.82679 
1 1 1 0   10 36 o 452.2449 7.255387 6019.581       192.4353 5811.850       212.7105 6956.049       451.6331 444.1556 8.165886 482.4997 15.98225 -38.34415      17.94753 
1 1 1 0   10 37 o 135.7741 10.40472 548.2547       82.21974 478.8608       87.26981 1096.321       245.2561 126.5519 11.89789 188.4319 22.64626 -61.87997      25.58149 
1 1 1 0   10 38 o 142.7377 10.37269 606.0178       86.23965 621.0326       92.10395 499.2454       245.6112 144.3871 10.95860 122.6257 33.29996 21.76141       35.05679 
1 1 1 0   10 39 o 252.8382 7.610573 1886.912       112.7239 1902.457       122.7657 1803.380       284.5775 253.7312 8.260988 242.4489 20.19709 11.28229       21.82124 
1 1 1 0   10 40 o 187.5310 8.950623 1043.235       98.15704 1100.825       106.0175 697.5037       259.7607 192.5319 9.417683 143.7775 31.66348 48.75441       33.03436 
1 1 1 0   10 41 o 72.35411 19.30458 167.4947       83.43177 188.2714       88.44810 -0.2418009     251.3126 76.58219 19.60994 70.57632 31.12114 6.005875       36.78417 
1 1 1 0   10 42 o 108.9987 13.74700 364.8007       85.92726 307.1128       91.12783 827.3810       258.0490 98.98527 16.26168 155.1385 29.43830 -56.15319      33.63118 
1 1 1 0   10 43 o 218.3087 7.906356 1416.252       101.0602 1357.214       107.6440 1855.066       293.4708 213.4389 8.617068 240.7596 20.99383 -27.32068      22.69350 
1 1 1 0   10 44 o 53.17719 21.92979 45.14294       110.6601 115.6322       120.8289 -321.5529      275.5893 63.93169 23.91970 56.12857 27.18104 7.803112       36.20720 
1 1 1 0   10 45 o 38.76531 17.43879 -28.14215      83.08167 -51.31682      117.5290 -4.994130      117.4614 44.41063 20.27873 48.53315 21.34332 -4.122524      29.44086 
1 1 1 0   10 46 o 54.20819 20.81289 76.21266       92.90256 38.70255       135.4345 109.5485       127.6765 55.58508 23.67111 62.85276 24.32843 -7.267677      33.94398 
1 1 1 0   10 47 o 180.1852 10.95266 988.5317       115.1948 763.3461       160.1931 1229.670       165.7702 153.3882 18.15923 198.4957 14.33643 -45.10751      23.13635 
1 1 1 0   10 48 o 32.05835 15.77626 -192.7713      104.2795 -287.6011      156.7959 -117.5602      139.6379 38.55760 19.04465 43.41257 20.56370 -4.854969      28.02792 
1 1 1 0   10 49 o 106.9396 18.83605 382.1917       113.8214 463.0253       164.2910 307.5830       157.8383 112.5236 25.48860 89.80456 27.43856 22.71906       37.45055 
1 1 1 0   10 50 o 51.92254 21.73443 48.36923       111.0275 185.8638       158.4396 -84.29437      155.6313 72.52035 27.33602 47.76001 22.33566 24.76034       35.30070 
1 1 1 0   11 1  o 212.0239 6.224028 1320.513       77.31017 1263.212       102.1641 1397.292       118.2595 207.2162 8.424237 217.8820 9.275962 -10.66583      12.53041 
1 1 1 0   11 2  o 264.1534 5.379337 2047.481       83.33655 2181.665       143.0313 1978.518       102.5395 272.3653 8.966460 259.5305 6.742489 12.83475       11.21867 
1 1 1 0   11 3  o 536.0634 7.948474 8438.821       249.8909 7984.506       282.9645 10048.60       532.6438 521.2997 9.255375 583.5601 15.57720 -62.26038      18.11936 
1 1 1 0   11 4  o 188.2173 5.105419 1040.192       56.30414 1004.238       66.73548 1128.998       104.8828 184.8766 6.163566 195.8191 9.158062 -10.94254      11.03901 
1 1 1 0   11 5  o 600.1012 8.719259 10577.83       306.8701 10487.52       371.5260 10771.73       544.3748 597.2943 10.60597 604.3192 15.37212 -7.024902      18.67589 
1 1 1 0   11 6  o 477.1553 7.982586 6685.303       223.3849 7091.400       375.2885 6462.470       277.9970 490.7137 13.05186 468.9465 10.10802 21.76721       16.50827 
1 1 1 0   11 7  o 211.9282 5.694014 1318.810       70.70728 1327.358       110.5440 1312.891       91.98499 212.4097 8.893491 211.3516 7.432544 1.058167       11.59038 
1 1 1 0   11 8  o 491.5558 8.098541 7093.393       233.4695 7160.641       373.8058 7050.382       298.9499 493.2834 12.93224 489.8843 10.40529 3.399078       16.59858 
1 1 1 0   11 9  o 216.8894 8.702836 1383.188       110.4757 1489.510       172.7251 1309.580       143.7168 224.7066 13.16423 210.7933 11.67074 13.91331       17.59270 
1 1 1 0   11 10 o 421.6788 6.647932 5217.096       164.4065 5024.981       224.4539 5439.484       241.4916 413.7330 9.250314 430.4427 9.566129 -16.70969      13.30711 
1 1 1 0   11 11 o 664.1483 9.360601 12947.20       364.6023 12680.66       502.5790 13243.33       529.7437 656.9739 13.04385 671.3505 13.45445 -14.37665      18.73938 
1 1 1 0   11 12 o 694.6891 14.20123 14180.58       578.5846 15117.58       765.8918 12935.01       883.0401 716.5663 18.23953 662.0257 22.77731 54.54059       29.18024 
1 1 1 0   11 13 o 477.3394 8.016937 6685.740       224.4328 6201.805       325.2130 7125.791       310.1167 459.3967 12.08110 492.6748 10.73283 -33.27808      16.16003 
1 1 1 0   11 14 o 682.5715 10.59560 13677.35       424.1547 12946.41       630.2770 14282.39       573.4348 663.5878 16.19506 697.2131 14.02387 -33.62531      21.42309 
1 1 1 0   11 15 o 606.8157 9.596689 10808.05       341.5300 9901.175       488.4453 11675.57       477.7258 580.4589 14.34808 630.4553 12.92034 -49.99646      19.30810 
1 1 1 0   11 16 o 433.9414 10.39643 5528.298       264.5854 0.000000       0.000000 5528.298       264.5854 ?        ?        433.9414 10.39643 0.000000       10.39643 
1 1 1 0   11 17 o 115.5503 9.247546 394.4138       62.14568 357.2000       65.24339 758.6232       204.1081 109.8272 10.24751 158.8278 22.54471 -49.00063      24.76439 
1 1 1 0   11 18 o 548.3734 7.700241 8824.536       247.6460 8808.875       286.6446 8870.632       491.7692 547.8178 8.921896 549.0010 15.28835 -1.183167      17.70124 
1 1 1 0   11 19 o 430.8376 6.724002 5446.434       169.8995 5396.327       192.9828 5619.105       358.2438 428.8117 7.673638 436.9484 13.99777 -8.136658      15.96315 
1 1 1 0   11 20 o 414.7899 6.394151 5048.320       155.5470 4953.119       175.3134 5400.520       337.2021 410.8227 7.276293 428.3518 13.43930 -17.52911      15.28265 
1 1 1 0   11 21 o 477.1678 6.948656 6682.458       194.4565 6498.002       218.5982 7381.921       425.6785 470.4755 7.922441 500.5884 14.51474 -30.11295      16.53610 
1 1 1 0   11 22 o 339.8689 5.864520 3389.623       116.8946 3262.665       128.7901 3983.213       278.4816 333.4124 6.586432 367.6999 12.93390 -34.28741      14.51436 
1 1 1 0   11 23 o 407.7868 6.290356 4880.853       150.4385 4904.098       173.6047 4810.776       301.4336 408.6941 7.242900 404.0620 12.73608 4.632111       14.65153 
1 1 1 0   11 24 o 387.9924 6.152059 4418.994       139.9891 4281.494       156.4147 4972.452       313.8119 381.8505 6.984473 410.6151 13.04775 -28.76459      14.79955 
1 1 1 0   11 25 o 659.2062 8.717924 12773.89       337.0427 12542.76       384.8549 13534.60       698.1915 652.9532 10.04996 675.7867 17.63135 -22.83356      20.29449 
1 1 1 0   11 26 o 287.0102 6.381788 2419.132       107.4212 2449.941       123.5180 2323.495       217.6219 288.6742 7.301640 280.2811 13.27684 8.393097       15.15217 
1 1 1 0   11 27 o 80.01705 19.86773 198.1703       92.80579 159.6018       112.8651 278.6889       163.0762 73.48878 23.32208 94.99239 27.62348 -21.50360      36.15213 
1 1 1 0   11 28 o 641.0813 8.650480 12092.33       325.2399 11996.91       376.5084 12372.87       645.5988 638.1690 10.05978 645.1224 17.07860 -6.953369      19.82114 
1 1 1 0   11 29 o 223.9193 6.773067 1474.875       88.84395 1462.539       99.15832 1525.090       200.0571 222.8905 7.596651 226.3157 15.16006 -3.425171      16.95690 
1 1 1 0   11 30 o 152.8291 7.712608 688.6721       68.90517 722.2604       73.78399 459.5925       192.6909 156.4816 8.067089 120.6154 27.80900 35.86621       28.95546 
1 1 1 0   11 31 o 281.5542 6.307787 2329.178       104.1573 2322.513       115.8753 2357.221       237.6893 280.9959 7.036912 281.7109 14.43464 -0.7149658     16.05855 
1 1 1 0   11 32 o 280.5779 6.737395 2313.643       110.8654 2402.051       124.1496 1965.585       246.3353 285.7257 7.415021 256.6938 16.44948 29.03192       18.04350 
1 1 1 0   11 33 o 61.86502 19.87288 111.9862       81.75568 121.0109       86.98794 43.66574       239.3420 64.14011 20.48830 75.74432 31.82189 -11.60421      37.84710 
1 1 1 0   11 34 o 318.5641 6.797744 2983.648       127.0025 2956.774       140.8216 3100.766       293.9791 317.0266 7.573962 322.6124 15.58372 -5.585876      17.32678 
1 1 1 0   11 35 o 342.7731 9.493666 3467.625       190.6658 3193.178       230.4078 4063.828       339.5985 328.2874 11.98733 369.0718 15.72537 -40.78445      19.77330 
1 1 1 0   11 36 o 261.0321 7.156175 2007.042       109.4499 1941.123       118.3853 2394.929       287.1744 256.5845 7.876467 282.1548 17.43956 -25.57028      19.13575 
1 1 1 0   11 37 o 51.43790 19.35330 60.52768       79.33376 72.59974       84.07726 -37.49303      239.5780 54.36636 20.02559 68.77221 30.35320 -14.40585      36.36401 
1 1 1 0   11 38 o 159.7167 9.638171 756.8655       89.86067 771.3472       95.62982 647.5897       262.6916 161.1369 10.17113 139.6960 32.65267 21.44090       34.20013 
1 1 1 0   11 39 o 138.2630 11.78584 572.5425       94.65872 568.2725       100.7265 604.8151       276.9128 137.5312 12.62885 132.9784 35.02667 4.552795       37.23380 
1 1 1 0   11 40 o 42.90475 18.39275 1.402391       82.74981 19.26979       87.22038 -159.6102      261.8287 46.29063 19.31205 63.41741 29.42601 -17.12678      35.19724 
1 1 1 0   11 41 o 141.2139 10.93729 598.9865       89.87556 571.6026       95.65945 805.1118       262.4500 137.6054 11.97243 153.3340 30.25977 -15.72859      32.54217 
1 1 1 0   11 42 o 46.60516 19.08954 31.15364       83.11858 66.93298       87.38710 -308.4811      269.2385 52.89080 20.21603 56.61746 27.28143 -3.726662      33.95533 
1 1 1 0   11 43 o 54.17583 20.00423 78.68361       83.98517 93.93442       87.90195 -81.09753      284.5214 57.34110 20.56961 67.85851 31.19595 -10.51741      37.36704 
1 1 1 0   11 44 o 56.54673 20.40697 91.87901       86.66817 131.4391       91.04377 -290.2610      282.9652 64.16454 20.99971 57.94989 27.93471 6.214645       34.94761 
1 1 1 0   11 45 o 94.78407 17.72528 291.2545       94.91093 297.1764       133.0608 285.1208       135.4189 92.38846 24.25393 90.21889 24.81914 2.169563       34.70220 
1 1 1 0   11 46 f 52.94464 21.00109 64.36665       97.12328 -130.6495      141.9121 236.1913       133.2069 43.49624 20.64045 81.75590 25.24881 -38.25965      32.61182 
1 1 1 0   11 47 o 81.90513 21.51666 231.6593       104.6746 4.864638       149.6466 448.9245       146.4690 54.02991 23.91121 113.9757 22.70981 -59.94582      32.97699 
1 1 1 0   11 48 o 101.7264 18.88879 345.2369       108.5431 379.5187       166.2712 319.7779       143.2868 100.3269 27.46224 93.40307 25.46367 6.923820       37.45094 
1 1 1 0   11 49 o 45.66773 20.36725 -11.20105      110.7073 84.96746       166.7395 -87.01823      148.0491 62.38648 26.40360 46.47828 21.75200 15.90820       34.20964 
1 1 1 0   11 50 o 47.04963 20.98044 -7.998646      117.4282 -127.5878      184.1580 73.94308       152.4394 49.57168 23.52036 59.67213 25.25000 -10.10045      34.50753 
1 1 1 0   12 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   12 1  o 195.3399 6.424719 1121.146       73.50288 1189.395       99.33891 1038.575       109.2664 201.0639 8.443110 187.7294 9.960028 13.33447       13.05711 
1 1 1 0   12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   12 3  o 358.2365 5.972201 3766.035       125.4743 3825.809       154.8070 3651.568       214.2260 361.0011 7.311924 352.3333 10.37867 8.667847       12.69571 
1 1 1 0   12 4  o 230.1882 5.159534 1554.596       69.65368 1526.976       82.65324 1622.277       129.3838 228.0240 6.186289 234.8127 9.414321 -6.788727      11.26497 
1 1 1 0   12 5  o 514.8643 7.697241 7782.000       232.4226 7889.658       288.6200 7583.386       392.0216 518.2624 9.495683 507.5348 13.18140 10.72757       16.24553 
1 1 1 0   12 6  o 164.8722 5.970585 798.6368       57.63642 856.6019       70.03365 676.9769       101.4605 170.6990 7.010524 151.3344 11.51816 19.36455       13.48390 
1 1 1 0   12 7  o 572.0591 9.214521 9608.811       309.1464 10004.07       512.1508 9382.237       387.7566 582.8893 14.99415 565.0486 11.70100 17.84076       19.01941 
1 1 1 0   12 8  o 510.5848 8.401875 7651.969       251.5908 7710.804       400.6986 7613.679       323.2527 511.9963 13.35585 509.1446 10.82556 2.851715       17.19219 
1 1 1 0   12 9  f 401.8836 7.106369 4738.980       167.4937 4869.854       270.7318 4657.827       213.1911 407.0460 11.35193 398.3492 9.125456 8.696716       14.56503 
1 1 1 0   12 10 o 1029.964 13.90690 31172.29       840.0451 29944.09       1133.680 32667.77       1250.967 1008.526 19.16695 1053.153 20.25368 -44.62695      27.88518 
1 1 1 0   12 11 o 426.1587 9.615227 5330.492       240.3153 5330.492       240.3153 0.000000       0.000000 426.1587 9.615227 ?        ?        0.000000       9.615227 
1 1 1 0   12 12 o 1088.740 21.04845 34910.58       1343.986 34832.54       2258.144 34953.38       1672.462 1082.594 35.61450 1088.109 26.20796 -5.515015      44.21821 
1 1 1 0   12 13 o 673.5945 10.54996 13319.84       416.7731 12608.54       616.4099 13918.85       565.6664 654.8854 16.04921 688.2827 14.01338 -33.39728      21.30615 
1 1 1 0   12 14 o 703.1465 14.08285 14527.84       580.7470 0.000000       0.000000 14527.84       580.7470 ?        ?        703.1465 14.08285 0.000000       14.08285 
1 1 1 0   12 15 o 234.5632 9.221423 1617.364       126.6081 0.000000       0.000000 1617.364       126.6081 ?        ?        234.5632 9.221423 0.000000       9.221423 
1 1 1 0   12 16 o 701.9928 14.12523 14483.37       581.5388 0.000000       0.000000 14483.37       581.5388 ?        ?        701.9928 14.12523 0.000000       14.12523 
1 1 1 0   12 17 o 90.35175 12.10151 244.0712       62.51391 282.2715       117.0493 228.8263       73.94310 95.97957 21.34578 86.98554 15.03826 8.994026       26.11114 
1 1 1 0   12 18 o 316.1793 5.916299 2932.838       109.7069 2816.212       119.4803 3559.495       276.9574 309.8122 6.575780 347.7156 13.60748 -37.90347      15.11305 
1 1 1 0   12 19 o 93.15997 9.894048 257.7181       53.23154 248.0733       55.88821 351.9923       174.7308 91.28745 10.63811 106.9747 27.65090 -15.68724      29.62671 
1 1 1 0   12 20 o 416.5401 6.453920 5091.441       157.6634 5236.198       185.0503 4708.066       301.1502 422.3693 7.470454 399.9274 12.85630 22.44189       14.86917 
1 1 1 0   12 21 o 154.9017 6.978037 705.7089       63.23005 701.0593       67.35196 740.2455       183.5618 154.3565 7.462141 156.9556 20.42541 -2.599152      21.74583 
1 1 1 0   12 22 o 458.7954 6.745722 6178.807       181.5090 6084.413       206.5893 6498.306       380.0742 455.2036 7.738408 469.5379 13.81719 -14.33435      15.83660 
1 1 1 0   12 23 o 224.0345 6.340125 1474.526       83.21971 1474.526       83.21971 0.000000       0.000000 224.0345 6.340125 ?        ?        0.000000       6.340125 
1 1 1 0   12 24 o 418.6926 6.400846 5146.937       157.1749 5016.891       177.1113 5628.996       340.9942 413.2917 7.307000 436.7607 13.32789 -23.46893      15.19950 
1 1 1 0   12 25 o 159.8095 7.554394 752.0493       70.60276 723.4651       78.06094 880.5576       165.5147 156.6444 8.529235 171.6848 16.64687 -15.04045      18.70471 
1 1 1 0   12 26 o 495.5549 7.105816 7215.208       206.5172 7250.841       240.8019 7116.117       401.5666 496.6064 8.267935 490.5819 13.97134 6.024445       16.23444 
1 1 1 0   12 27 o 183.8991 7.078487 995.2823       76.20071 961.0314       83.88459 1156.963       182.2532 180.6175 7.938418 196.9494 15.91408 -16.33186      17.78416 
1 1 1 0   12 28 o 111.9968 10.72108 373.1231       69.56109 333.1627       75.35644 603.3536       180.8783 105.4984 12.41685 140.0760 22.80122 -34.57761      25.96293 
1 1 1 0   12 29 o 197.4899 6.455204 1147.273       74.66576 1180.893       80.24711 930.4906       203.7688 200.3278 6.840302 175.2877 20.18984 25.04005       21.31712 
1 1 1 0   12 30 o 145.5578 8.288921 625.4194       70.46689 648.7075       75.81161 477.5089       191.0593 148.1952 8.761806 123.1034 27.19024 25.09180       28.56709 
1 1 1 0   12 31 o 331.0912 6.412090 3221.048       124.5082 3213.935       139.5614 3248.786       275.6060 330.6384 7.197166 330.9023 14.23493 -0.2638855     15.95094 
1 1 1 0   12 32 o 219.3835 7.714193 1417.236       99.09883 1312.409       106.4523 2098.316       271.3421 210.9920 8.620931 264.9228 17.56330 -53.93082      19.56502 
1 1 1 0   12 33 o 259.4731 7.074667 1980.957       107.5582 2032.052       118.5724 1743.629       255.5468 262.7187 7.703918 241.0890 18.20810 21.62965       19.77082 
1 1 1 0   12 34 o 373.3620 6.836721 4099.038       149.7023 4217.920       171.3114 3714.964       307.9178 378.5945 7.715451 353.3162 14.89347 25.27835       16.77330 
1 1 1 0   12 35 o 281.8448 7.090878 2338.742       117.1158 2301.715       127.2074 2544.725       300.0310 279.4913 7.768102 291.0380 17.66098 -11.54672      19.29388 
1 1 1 0   12 36 o 242.0393 7.581211 1727.069       107.4828 1647.320       115.6244 2234.274       291.5936 236.2431 8.358431 271.9762 18.38897 -35.73311      20.19945 
1 1 1 0   12 37 o 125.0805 12.13555 468.5877       87.90511 458.4313       93.22318 550.0640       264.0391 123.4986 13.06903 128.4525 34.37384 -4.953857      36.77445 
1 1 1 0   12 38 o 163.7353 10.27717 796.9440       98.19068 824.7787       104.4422 585.0930       288.1367 166.4750 10.75490 131.0786 36.25922 35.39641       37.82062 
1 1 1 0   12 39 o 57.40210 20.65617 87.79430       88.72174 90.65260       93.45193 61.68441       282.4466 58.53041 21.18141 79.78426 34.08627 -21.25385      40.13136 
1 1 1 0   12 40 o 246.7873 7.733627 1802.275       111.7944 1843.363       120.5374 1549.467       298.9905 249.4315 8.251222 220.7543 23.45238 28.67712       24.86155 
1 1 1 0   12 41 o 142.8962 10.85420 613.6798       90.28343 559.4600       95.15646 1102.750       285.7887 136.0130 12.05377 181.4754 27.73076 -45.46243      30.23720 
1 1 1 0   12 42 o 63.95467 20.56932 128.6840       87.56764 186.8157       91.85020 -451.4550      290.1615 75.61333 20.29136 54.40970 26.68292 21.20363       33.52190 
1 1 1 0   12 43 o 140.6113 11.69681 599.8148       95.58534 614.0316       100.6070 467.9709       306.3770 142.0761 12.19192 109.1191 38.47837 32.95693       40.36369 
1 1 1 0   12 44 o 78.61456 20.30286 205.8284       94.25794 184.3647       99.25323 403.1044       300.9051 74.22696 21.54034 100.9776 37.75393 -26.75061      43.46661 
1 1 1 0   12 45 o 55.11970 20.71098 82.84769       90.78940 49.46924       95.63167 387.6321       288.9782 50.78766 20.59827 98.24987 36.94302 -47.46221      42.29747 
1 1 1 0   12 46 o 115.6079 15.94855 425.8746       105.2554 299.0118       147.5575 557.2947       150.1845 90.83119 26.23584 129.4279 20.46513 -38.59666      33.27373 
1 1 1 0   12 47 o 109.6372 17.11502 390.4300       106.4550 355.8362       154.8964 421.3963       146.5504 98.35085 26.33189 109.5485 23.51370 -11.19765      35.30244 
1 1 1 0   12 48 o 128.4861 15.69605 528.2920       115.8235 417.2638       175.7383 613.5553       154.0036 104.6525 28.06018 135.2672 20.01621 -30.61478      34.46770 
1 1 1 0   12 49 o 134.6940 15.57316 582.1801       120.7567 334.3894       185.8209 763.3246       158.8783 91.20342 30.00930 152.1814 18.15924 -60.97793      35.07586 
1 1 1 0   12 50 o 146.2809 14.81964 682.0751       125.3858 782.5093       191.7446 607.0438       165.7309 149.4670 22.57710 131.7300 22.24325 17.73695       31.69365 
1 1 1 0   13 1  o 277.5681 6.784596 2261.098       110.4445 2458.452       160.4628 2083.441       152.2452 289.1599 9.474853 266.1440 9.770442 23.01593       13.61008 
1 1 1 0   13 2  o 879.3679 15.05935 22765.80       776.6533 22765.80       776.6533 0.000000       0.000000 879.3679 15.05935 ?        ?        0.000000       15.05935 
1 1 1 0   13 3  o 648.0218 11.41987 12340.90       434.0116 12340.90       434.0116 0.000000       0.000000 648.0218 11.41987 ?        ?        0.000000       11.41987 
1 1 1 0   13 4  o 357.5952 6.052153 3751.930       126.9264 3673.767       149.8663 3950.248       238.7169 353.8074 7.222484 366.5055 11.11872 -12.69809      13.25859 
1 1 1 0   13 5  o 605.2142 8.805676 10753.05       312.5520 10601.45       374.9708 11098.17       565.7424 600.7757 10.64228 613.8882 15.72667 -13.11249      18.98911 
1 1 1 0   13 6  o 1143.948 15.79536 38501.85       1059.708 37961.78       1271.375 39731.04       1918.025 1135.023 19.09935 1157.836 28.24599 -22.81262      34.09723 
1 1 1 0   13 7  o 595.4860 9.482237 10409.72       331.1562 10299.20       517.3526 10486.43       431.0281 591.6525 14.92163 597.4529 12.30131 -5.800415      19.33849 
1 1 1 0   13 8  o 287.7520 6.284884 2429.117       106.0635 2411.740       160.5635 2442.570       141.2742 286.4785 9.570052 288.3780 8.361979 -1.899475      12.70860 
1 1 1 0   13 9  o 179.2952 13.99906 950.2993       146.0374 0.000000       0.000000 950.2993       146.0374 ?        ?        179.2952 13.99906 0.000000       13.99906 
1 1 1 0   13 10 o 601.1229 9.588332 10605.77       338.0313 10089.39       501.2909 11036.37       457.7653 585.9561 14.58728 612.9916 12.73321 -27.03552      19.36293 
1 1 1 0   13 11 o 460.3322 7.300765 6217.138       197.1017 6085.740       268.7063 6370.184       289.9975 455.3346 10.06228 465.8280 10.61495 -10.49341      14.62624 
1 1 1 0   13 12 o 247.9170 8.546920 1805.783       124.0842 1805.783       124.0842 0.000000       0.000000 247.9170 8.546920 ?        ?        0.000000       8.546920 
1 1 1 0   13 13 o 797.1155 12.42355 18662.03       580.7877 18052.52       877.6149 19136.96       774.6951 783.1351 19.10807 806.7190 16.37412 -23.58392      25.16406 
1 1 1 0   13 14 o 644.4026 13.26658 12200.07       501.3797 0.000000       0.000000 12200.07       501.3797 ?        ?        644.4026 13.26658 0.000000       13.26658 
1 1 1 0   13 15 o 796.6972 12.51619 18645.72       584.8117 18594.96       925.3213 18679.47       754.6340 794.5423 19.85752 796.9482 16.14566 -2.405884      25.59303 
1 1 1 0   13 16 o 1217.676 16.51118 43623.21       1179.127 44142.08       1693.746 43135.26       1642.509 1222.791 23.61814 1208.919 23.16648 13.87158       33.08326 
1 1 1 0   13 17 o 334.2541 8.099138 3279.041       158.7691 3911.260       330.3605 3089.161       181.0483 364.3160 15.49718 324.2390 9.531262 40.07703       18.19361 
1 1 1 0   13 18 o 768.0751 10.79468 17328.04       486.2549 17425.71       691.1551 17232.31       684.2338 769.5905 15.31318 765.3193 15.24443 4.271179       21.60755 
1 1 1 0   13 19 o 199.1128 6.034646 1164.330       70.38823 1143.947       75.96705 1288.015       187.1328 197.3326 6.573287 208.6136 15.40391 -11.28107      16.74779 
1 1 1 0   13 20 o 341.6207 8.342201 3426.744       167.1380 3426.744       167.1380 0.000000       0.000000 341.6207 8.342201 ?        ?        0.000000       8.342201 
1 1 1 0   13 21 f 328.9729 5.910155 3175.924       114.0275 3271.580       130.8945 2874.856       232.2191 333.8549 6.685179 312.3080 12.70491 21.54694       14.35641 
1 1 1 0   13 22 o 286.5469 5.673079 2409.683       95.33778 2288.116       102.7664 3160.525       255.3974 279.2003 6.276025 327.3073 13.33277 -48.10699      14.73605 
1 1 1 0   13 23 o 192.4993 6.000844 1088.802       67.66456 1027.293       72.53734 1501.025       187.7837 186.9352 6.626856 225.1411 14.29556 -38.20590      15.75685 
1 1 1 0   13 24 o 280.2902 8.451120 2311.271       138.7639 2146.922       177.5739 2569.036       222.3863 269.7870 11.24764 294.9038 12.88924 -25.11682      17.10677 
1 1 1 0   13 25 o 548.2455 7.585617 8832.739       243.9027 8531.940       271.8880 10072.41       551.9561 538.6649 8.606386 583.0497 16.15725 -44.38477      18.30646 
1 1 1 0   13 26 o 500.2045 7.830281 7355.342       229.7076 7313.031       273.3568 7457.016       423.7462 498.4984 9.350083 501.9534 14.40925 -3.455017      17.17704 
1 1 1 0   13 27 o 424.2294 6.523533 5287.629       162.3059 5367.936       187.8464 5051.074       322.3991 427.3068 7.495705 413.1599 13.32273 14.14685       15.28662 
1 1 1 0   13 28 f 226.7155 7.026604 1512.272       93.31526 1518.556       105.0100 1488.683       203.4695 227.0874 7.896751 223.4774 15.62281 3.609940       17.50517 
1 1 1 0   13 29 o 195.5674 7.507504 1126.336       85.94789 1116.082       94.60038 1174.821       205.7126 194.5805 8.308908 197.8072 17.92688 -3.226669      19.75882 
1 1 1 0   13 30 o 232.2669 6.692570 1586.796       91.07050 1591.957       99.64594 1560.625       224.3960 232.5758 7.314504 228.4871 16.86454 4.088654       18.38246 
1 1 1 0   13 31 o 143.6703 9.996647 611.1530       83.70557 599.5359       89.42138 693.4083       237.9439 142.1759 10.80511 148.6417 28.32892 -6.465805      30.31960 
1 1 1 0   13 32 o 178.8413 8.838714 943.8958       92.41867 912.8821       99.84174 1129.505       244.2505 175.7527 9.724240 192.7478 22.00058 -16.99506      24.05383 
1 1 1 0   13 33 o 397.8319 6.926417 4653.470       161.6065 4697.502       182.8039 4495.953       345.7524 399.5670 7.800909 388.7896 15.19277 10.77747       17.07848 
1 1 1 0   13 34 o 320.7134 6.801754 3024.825       127.9348 2941.577       139.2447 3475.734       324.0674 316.1703 7.509434 341.1306 16.24478 -24.96039      17.89649 
1 1 1 0   13 35 o 404.2235 7.058951 4808.583       167.3448 4791.050       188.9866 4872.253       360.1388 403.2834 7.990429 403.9921 15.22736 -0.7087097     17.19650 
1 1 1 0   13 36 o 295.6836 10.25020 2588.176       177.4814 2588.803       218.8004 2586.969       303.4756 294.9849 12.67689 292.8771 17.75137 2.107819       21.81318 
1 1 1 0   13 37 o 407.1237 7.224911 4882.379       172.5081 4827.326       191.0765 5125.054       401.1676 404.6014 8.052476 412.8532 16.60222 -8.251801      18.45200 
1 1 1 0   13 38 o 272.1398 7.569371 2185.775       120.6925 2118.133       129.1483 2652.175       339.1252 267.7343 8.234758 294.4892 19.74960 -26.75485      21.39762 
1 1 1 0   13 39 o 211.3508 8.402497 1322.911       103.9433 1314.127       110.9010 1386.398       298.1519 210.4932 9.004328 208.7689 24.83761 1.724304       26.41940 
1 1 1 0   13 40 o 86.11105 18.15824 235.5797       88.81069 256.6196       93.64500 47.43921       280.0298 89.88651 18.38453 76.86244 33.39412 13.02406       38.12032 
1 1 1 0   13 41 o 140.9027 11.54408 599.3069       94.56017 609.1177       100.2191 519.7202       285.4425 141.8374 12.16523 117.6074 37.05952 24.23002       39.00513 
1 1 1 0   13 42 o 123.7160 12.74609 467.3328       91.15916 445.8393       95.68200 678.6932       300.0464 120.4039 13.79902 132.5931 37.12214 -12.18915      39.60387 
1 1 1 0   13 43 o 93.15282 17.67595 278.8372       93.03550 278.7956       97.33031 279.2780       316.6869 92.77003 18.53798 92.21012 37.45242 0.5599136      41.78924 
1 1 1 0   13 44 o 117.8828 14.60865 434.1070       98.83787 417.5089       104.2994 580.2571       309.4944 114.9481 15.89643 117.0401 38.73843 -2.092010      41.87317 
1 1 1 0   13 45 o 110.2688 15.85890 386.2479       99.61342 369.3994       104.6014 550.3762       326.4739 107.0750 17.24251 111.4164 39.67844 -4.341385      43.26294 
1 1 1 0   13 46 o 38.21372 17.65112 -55.63896      92.63392 -34.61043      96.34226 -313.1300      337.1270 40.96601 18.57036 61.16920 29.72474 -20.20320      35.04880 
1 1 1 0   13 47 o 111.5236 16.48337 401.8791       104.5670 413.2874       155.4520 392.4511       141.3168 106.8912 25.20934 105.4478 23.45663 1.443344       34.43435 
1 1 1 0   13 48 o 128.6871 16.39951 534.7866       120.9621 510.1611       185.7130 552.9316       159.4152 116.3209 27.63434 126.2265 22.35214 -9.905655      35.54258 
1 1 1 0   13 49 o 60.20124 23.59517 104.9685       121.2940 165.8240       189.0101 62.35973       158.1556 71.48090 28.97018 59.23323 25.41073 12.24767       38.53540 
1 1 1 0   13 50 o 160.6307 14.10598 816.8547       131.5388 800.3693       190.6109 831.8434       181.7530 151.3707 22.12465 156.2489 20.31468 -4.878174      30.03641 
1 1 1 0   14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14 1  o 921.2206 15.75569 24970.02       851.2390 25772.21       1254.102 24284.68       1159.163 934.1486 22.89109 907.0922 21.78926 27.05634       31.60338 
1 1 1 0   14 2  o 616.7701 11.03415 11173.07       399.1285 10313.68       500.8028 12669.29       660.7989 592.2360 14.41855 655.7875 17.19612 -63.55151      22.44106 
1 1 1 0   14 3  o 459.4686 7.119026 6194.623       191.8346 6101.288       228.9322 6414.669       351.5118 455.9278 8.561707 467.0398 12.84541 -11.11206      15.43721 
1 1 1 0   14 4  o 408.0601 6.580868 4885.384       157.4918 4805.243       187.5233 5077.232       290.1386 404.6520 7.901744 415.5747 11.91666 -10.92273      14.29841 
1 1 1 0   14 5  o 322.4759 5.905300 3050.635       111.6837 3137.071       137.3032 2881.620       191.9978 326.9814 7.159905 313.1057 10.47047 13.87567       12.68444 
1 1 1 0   14 6  o 190.1998 5.971014 1062.274       66.52278 1055.812       77.55616 1080.262       129.3994 189.5717 6.987730 191.4471 11.57891 -1.875458      13.52404 
1 1 1 0   14 7  o 690.1361 9.911733 13980.81       401.1759 13956.66       489.6201 14030.16       699.7944 689.3668 12.11040 690.4202 17.29611 -1.053406      21.11438 
1 1 1 0   14 8  o 381.1882 7.112906 4263.022       159.0146 4282.953       246.9996 4248.915       207.8062 381.7840 11.04293 380.4887 9.312496 1.295288       14.44538 
1 1 1 0   14 9  o 655.1343 10.25315 12598.86       393.9475 12316.19       608.1708 12803.20       517.0958 647.2607 16.02123 660.1879 13.35528 -12.92719      20.85769 
1 1 1 0   14 10 o 157.3341 9.020795 728.8503       82.88845 638.7126       107.2758 862.3872       130.5717 146.9359 12.56929 170.8433 13.13239 -23.90741      18.17819 
1 1 1 0   14 11 o 517.9895 18.50445 7905.313       561.2409 0.000000       0.000000 7905.313       561.2409 ?        ?        517.9895 18.50445 0.000000       18.50445 
1 1 1 0   14 12 o 568.2505 9.313087 9477.555       310.3731 9073.102       467.0196 9797.500       415.3733 555.4617 14.34809 577.5694 12.26264 -22.10767      18.87432 
1 1 1 0   14 13 o 524.4040 11.83953 8076.399       364.1255 0.000000       0.000000 8076.399       364.1255 ?        ?        524.4040 11.83953 0.000000       11.83953 
1 1 1 0   14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   14 15 o 183.5105 8.792357 990.7036       94.35210 723.6107       166.2061 1117.705       114.6095 155.6729 18.57047 194.8542 10.06316 -39.18138      21.12177 
1 1 1 0   14 16 o 475.1761 8.596209 6627.499       239.5588 6447.918       292.3432 6994.565       417.9614 468.5738 10.63811 487.4930 14.63556 -18.91916      18.09334 
1 1 1 0   14 17 o 421.7750 7.184954 5220.349       177.7278 5130.514       246.8502 5317.038       256.0948 417.9830 10.06988 425.5015 10.26240 -7.518463      14.37774 
1 1 1 0   14 18 o 455.7580 7.502901 6096.535       200.5460 5965.428       277.3906 6240.107       290.2779 450.6352 10.49581 460.8741 10.73943 -10.23883      15.01657 
1 1 1 0   14 19 o 402.7823 7.487842 4762.269       176.8795 4562.149       207.8152 5288.372       336.9511 394.1380 8.990389 423.7284 13.57656 -29.59033      16.28343 
1 1 1 0   14 20 o 252.1231 5.667489 1865.265       83.80190 1849.216       92.60406 1937.854       196.9393 250.9373 6.297346 256.2682 13.14744 -5.330887      14.57778 
1 1 1 0   14 21 f 65.53042 12.97636 130.8465       48.10590 88.56639       50.10276 629.7698       172.1118 54.07177 15.18057 144.3393 20.94268 -90.26752      25.86592 
1 1 1 0   14 22 o 328.0852 6.309995 3159.899       121.4133 3157.003       140.7668 3168.312       239.9313 327.8723 7.320570 327.7576 12.50492 0.1146545      14.49013 
1 1 1 0   14 23 o 118.4741 7.921309 414.2439       54.72282 379.1939       58.24168 678.2908       159.8566 113.2332 8.840214 150.1710 18.54429 -36.93778      20.54361 
1 1 1 0   14 24 o 162.7845 6.474760 779.4380       61.69076 748.5355       66.38823 974.9128       166.9706 159.4678 7.116443 180.8399 15.90516 -21.37212      17.42464 
1 1 1 0   14 25 o 256.5531 5.667070 1932.531       85.26805 1967.047       94.62782 1783.490       196.6356 258.7995 6.234546 245.3315 13.72121 13.46803       15.07120 
1 1 1 0   14 26 o 271.7101 6.373892 2168.717       101.5690 2166.053       115.4145 2177.861       213.8718 271.3756 7.258202 271.1199 13.49300 0.2556763      15.32131 
1 1 1 0   14 27 o 79.70374 14.03915 193.4289       63.22876 177.7917       67.64107 301.6930       177.9807 76.06111 15.68461 98.48496 28.91987 -22.42385      32.89933 
1 1 1 0   14 28 f 293.7632 6.061804 2535.178       104.4359 2543.554       116.1298 2499.758       238.8053 294.1855 6.730883 290.2132 14.07255 3.972321       15.59940 
1 1 1 0   14 29 o 304.7395 6.273853 2728.563       112.1279 2791.031       125.5848 2483.046       248.9729 308.1393 6.949272 289.0612 14.73489 19.07809       16.29139 
1 1 1 0   14 30 o 353.2396 6.569541 3666.790       136.0990 3689.135       152.5621 3579.698       301.1975 354.2200 7.343836 347.2023 14.82583 7.017700       16.54501 
1 1 1 0   14 31 o 316.7403 6.819957 2948.710       126.6880 2880.083       139.3078 3276.833       304.6115 312.9464 7.590233 331.8982 15.69360 -18.95178      17.43275 
1 1 1 0   14 32 o 53.81496 19.63290 71.18528       80.50933 66.06933       85.75281 109.2223       233.8235 53.81902 20.14787 80.51776 32.36765 -26.69874      38.12613 
1 1 1 0   14 33 o 252.2250 7.036355 1872.393       103.9829 1849.298       112.4907 2007.976       272.5630 250.5776 7.663633 258.6033 18.08541 -8.025742      19.64214 
1 1 1 0   14 34 o 159.0506 9.780492 749.2879       90.79063 692.6396       96.54468 1182.475       266.9765 152.7166 10.84998 195.9181 23.71756 -43.20149      26.08151 
1 1 1 0   14 35 o 452.7735 7.416853 6036.446       196.9478 6112.592       224.5042 5782.126       410.2894 455.3524 8.406717 439.5850 15.94104 15.76736       18.02192 
1 1 1 0   14 36 o 324.5185 7.006826 3100.690       133.3556 3027.564       144.3351 3527.224       348.5883 320.5390 7.677864 342.1420 17.42967 -21.60300      19.04581 
1 1 1 0   14 37 o 158.1427 10.64390 744.2061       98.14402 739.6251       104.5544 778.1647       284.6687 157.4856 11.39723 153.2251 32.67604 4.260513       34.60665 
1 1 1 0   14 38 f 36.13803 17.05201 -100.3688      94.30123 -78.38557      99.61506 -290.0851      292.6385 39.23166 18.18525 62.36139 29.60627 -23.12973      34.74528 
1 1 1 0   14 39 o 160.5121 11.79759 773.1670       110.2825 750.4535       119.0207 911.0351       293.2325 157.7465 12.97981 163.9389 31.64473 -6.192444      34.20328 
1 1 1 0   14 40 o 261.9418 7.614440 2032.244       116.8509 2047.413       126.5039 1944.080       304.9896 262.7022 8.221002 248.0788 21.16451 14.62334       22.70510 
1 1 1 0   14 41 o 110.0004 14.71293 374.4419       92.53894 365.8836       97.53835 451.5655       292.8030 108.2836 15.82640 109.5458 37.67875 -1.262177      40.86763 
1 1 1 0   14 42 o 241.0309 8.107769 1727.911       114.4474 1757.301       122.4548 1524.978       321.7745 242.8563 8.611204 212.7807 26.34753 30.07553       27.71904 
1 1 1 0   14 43 o 269.2021 7.985440 2157.539       125.9353 2129.208       134.6128 2356.271       356.5277 267.1044 8.604425 267.3364 22.96192 -0.2320251     24.52113 
1 1 1 0   14 44 o 51.82735 20.81984 55.37575       96.67194 29.80336       101.6943 295.2569       311.4648 49.33506 20.73570 90.98777 37.07291 -41.65271      42.47787 
1 1 1 0   14 45 o 189.5665 9.907868 1084.614       109.7696 1087.021       115.7052 1062.940       347.1802 189.4743 10.45293 160.2140 37.59928 29.26028       39.02524 
1 1 1 0   14 46 o 107.0238 17.43714 372.9695       105.6829 417.3998       111.2123 -40.80578      339.3869 113.4375 17.26000 70.87173 33.09149 42.56577       37.32231 
1 1 1 0   14 47 o 42.49327 19.40029 -41.74772      107.5144 -64.65306      113.3890 162.2789       338.4124 41.84787 19.39929 79.52143 35.52779 -37.67356      40.47909 
1 1 1 0   14 48 o 37.25923 17.82760 -120.0860      110.4699 -202.5772      170.1063 -59.92244      145.2724 44.02107 21.32661 47.80874 22.09066 -3.787674      30.70540 
1 1 1 0   14 49 o 45.88208 20.79467 -27.99051      120.7298 -75.62918      180.5731 10.51914       162.3522 51.91642 24.20663 55.29773 24.66317 -3.381306      34.55768 
1 1 1 0   15 1  o 797.2836 13.80907 18678.74       645.6954 19724.86       976.5512 17866.14       860.6865 818.3124 20.34817 779.0531 18.83768 39.25928       27.72916 
1 1 1 0   15 2  o 1129.119 19.18335 37532.73       1270.324 41859.51       2070.189 34919.58       1608.828 1189.173 29.68345 1087.547 25.22383 101.6262       38.95316 
1 1 1 0   15 3  f 241.4542 5.197048 1710.070       73.59395 1749.056       94.81286 1650.980       116.7261 244.0794 6.629611 237.0426 8.409686 7.036789       10.70862 
1 1 1 0   15 4  o 908.3058 12.69266 24232.96       676.1379 23983.74       815.5886 24780.66       1209.070 903.2697 15.39583 916.8867 22.48460 -13.61700      27.25049 
1 1 1 0   15 5  o 239.1831 5.928099 1678.165       83.15654 1680.730       96.29355 1670.642       164.9201 239.2528 6.869727 238.2278 11.84116 1.025055       13.68964 
1 1 1 0   15 6  o 510.7457 7.769561 7654.022       232.7296 7670.023       283.5280 7620.976       407.4643 511.2057 9.456921 509.1417 13.65818 2.063995       16.61262 
1 1 1 0   15 7  o 239.5747 6.122112 1684.791       85.94820 1604.942       99.99519 1910.620       168.1643 233.7728 7.302434 254.8482 11.27922 -21.07547      13.43675 
1 1 1 0   15 8  o 803.9923 10.41883 18975.46       491.2715 18570.45       635.7255 19575.89       774.0427 795.0607 13.63386 815.9939 16.17437 -20.93317      21.15402 
1 1 1 0   15 9  o 384.7123 7.452610 4342.467       168.1493 4486.106       266.7348 4247.739       216.6115 390.6919 11.65415 380.2945 9.720016 10.39740       15.17557 
1 1 1 0   15 10 o 467.9708 8.253135 6426.362       226.5104 6309.751       346.9554 6512.983       299.0293 463.3011 12.78129 470.9941 10.82549 -7.692932      16.74971 
1 1 1 0   15 11 o 244.8800 8.871938 1762.226       127.2049 1894.688       168.7881 1588.087       193.5289 253.7605 11.37030 232.0254 14.29132 21.73508       18.26268 
1 1 1 0   15 12 o 391.1174 9.758095 4490.498       223.8322 4821.473       300.4517 4077.702       335.5401 404.9313 12.66710 372.0969 15.40915 32.83438       19.94736 
1 1 1 0   15 13 o 561.8537 9.594514 9266.864       316.1526 8732.162       463.4324 9732.343       432.3941 544.8351 14.51636 575.5505 12.80990 -30.71545      19.36023 
1 1 1 0   15 14 o 591.4572 9.830075 10270.36       340.9814 9266.442       479.2992 11299.13       485.1958 561.2183 14.57445 620.0617 13.34233 -58.84344      19.75936 
1 1 1 0   15 15 o 428.4289 10.61611 5390.441       266.7440 0.000000       0.000000 5390.441       266.7440 ?        ?        428.4289 10.61611 0.000000       10.61611 
1 1 1 0   15 16 o 223.9783 7.533203 1473.919       98.81382 1234.548       154.6684 1639.002       128.4447 204.5317 12.96074 236.0897 9.294758 -31.55794      15.94909 
1 1 1 0   15 17 o 271.3479 8.598324 2163.842       136.6603 1959.044       182.8121 2423.254       205.7482 257.8826 12.12130 286.8602 12.25795 -28.97757      17.23900 
1 1 1 0   15 18 o 444.2739 7.368242 5793.725       191.9841 5609.870       260.1564 6013.574       284.4847 436.9710 10.15153 452.3710 10.72293 -15.39996      14.76600 
1 1 1 0   15 19 o 117.3429 8.930296 406.7711       60.99571 329.0736       106.0406 445.1904       74.56641 104.1230 18.01694 122.6317 10.46787 -18.50871      20.83714 
1 1 1 0   15 20 o 166.4018 6.139182 813.7898       59.81002 823.8814       63.46732 733.7208       178.7729 167.4108 6.476439 156.2165 19.96899 11.19426       20.99297 
1 1 1 0   15 21 o 696.7550 10.97254 14282.15       448.3714 14174.73       565.9802 14463.17       734.7253 693.4447 13.91678 699.0372 17.93631 -5.592529      22.70216 
1 1 1 0   15 22 o 297.4794 5.684486 2597.570       99.17419 2611.845       110.9461 2540.807       221.2348 298.2593 6.342601 293.3277 12.89175 4.931641       14.36753 
1 1 1 0   15 23 o 294.7054 5.623030 2549.621       97.18719 2522.913       108.3493 2659.580       219.8458 293.1163 6.302827 300.0830 12.51933 -6.966705      14.01640 
1 1 1 0   15 24 o 255.1630 5.625529 1911.547       84.18439 1907.906       92.89589 1928.274       199.1116 254.8857 6.214418 255.2172 13.34900 -0.3314514     14.72463 
1 1 1 0   15 25 o 422.2985 6.465032 5238.733       160.1182 5203.574       182.0825 5358.660       336.2870 420.7668 7.378637 425.6396 13.48858 -4.872803      15.37485 
1 1 1 0   15 26 o 303.5271 7.402302 2708.456       131.7695 2708.456       131.7695 0.000000       0.000000 303.5271 7.402302 ?        ?        0.000000       7.402302 
1 1 1 0   15 27 o 162.8463 8.013145 781.9510       76.29492 746.4969       81.79077 1019.487       211.7075 159.0099 8.804982 183.6538 19.97711 -24.64392      21.83146 
1 1 1 0   15 28 o 279.9776 6.107591 2302.927       100.2868 2293.891       110.5365 2344.982       238.4708 279.3703 6.746442 280.9398 14.52272 -1.569519      16.01324 
1 1 1 0   15 29 o 301.9082 6.448717 2678.370       114.1823 2729.016       127.8469 2478.714       253.8374 304.6764 7.154859 288.7351 15.04200 15.94131       16.65695 
1 1 1 0   15 30 o 121.0255 12.52046 437.3404       87.58669 488.9050       93.73614 82.57655       245.8673 128.0091 12.65102 79.83884 32.78147 48.17024       35.13792 
1 1 1 0   15 31 o 140.0639 10.42584 581.6140       85.02795 569.9196       90.35550 672.1000       251.3380 138.5209 11.21806 145.5414 30.42651 -7.020508      32.42865 
1 1 1 0   15 32 o 206.9477 7.635857 1261.659       92.51743 1267.715       99.47738 1222.872       251.7677 207.3722 8.195575 200.4906 21.76047 6.881638       23.25265 
1 1 1 0   15 33 o 59.44875 20.33519 98.38573       85.25489 80.98569       90.57430 233.6039       252.4918 57.05148 20.82240 93.84547 34.67929 -36.79399      40.45028 
1 1 1 0   15 34 o 53.48063 20.13838 65.06253       85.93959 121.5691       91.24670 -378.7478      255.7210 64.35274 21.02075 54.40897 26.30838 9.943764       33.67495 
1 1 1 0   15 35 o 177.2129 9.157353 929.4408       94.85062 889.1088       100.6204 1251.171       284.1888 173.1700 9.949347 200.4882 24.69043 -27.31822      26.61967 
1 1 1 0   15 36 o 275.9084 7.463243 2244.619       120.6546 2276.618       129.9463 2044.563       324.9154 277.7593 7.985380 258.0869 21.66595 19.67239       23.09068 
1 1 1 0   15 37 o 226.5047 8.552863 1517.370       113.4118 1502.008       121.1554 1626.152       322.4003 225.2048 9.192392 227.7750 24.52032 -2.570221      26.18675 
1 1 1 0   15 38 o 278.4978 7.450541 2290.632       121.5822 2311.342       131.2501 2165.387       322.7649 279.6000 8.012351 264.3677 20.98961 15.23230       22.46690 
1 1 1 0   15 39 o 126.1639 13.79025 484.6554       100.3772 539.1348       108.2796 151.7576       267.6615 133.0338 14.09227 83.46037 34.22882 49.57342       37.01627 
1 1 1 0   15 40 o 254.0728 7.638495 1913.406       113.6902 1875.979       121.9097 2163.221       314.9578 251.3376 8.281777 261.5973 20.69758 -10.25972      22.29300 
1 1 1 0   15 41 o 113.1996 14.36070 395.9666       93.19650 416.6873       98.00229 200.1033       301.3081 116.0119 14.73605 87.04265 36.06835 28.96922       38.96251 
1 1 1 0   15 42 o 205.5972 9.147199 1263.700       110.0189 1229.191       116.6728 1540.623       330.5067 202.4539 9.855979 212.4075 27.15134 -9.953598      28.88487 
1 1 1 0   15 43 o 157.1201 11.39314 749.9353       104.2714 783.9042       110.1748 458.1962       322.8785 160.4609 11.78976 105.2103 39.15321 55.25057       40.88976 
1 1 1 0   15 44 o 230.1073 8.650261 1584.858       116.5296 1571.066       124.5836 1681.300       329.4434 228.7378 9.306364 220.1955 26.01225 8.542313       27.62690 
1 1 1 0   15 45 o 105.3999 16.81213 358.3275       100.4345 313.5956       104.9846 841.0735       344.8864 97.22854 19.09285 136.3938 40.31221 -39.16529      44.60506 
1 1 1 0   15 46 o 159.4225 12.11779 782.7811       112.4496 796.2747       118.8374 667.2925       347.6632 160.3996 12.73732 116.7670 41.00441 43.63258       42.93718 
1 1 1 0   15 47 o 186.3983 10.93790 1061.593       119.0456 1079.209       126.7973 930.5895       345.7775 187.4845 11.58837 141.2016 39.96334 46.28287       41.60960 
1 1 1 0   15 48 o 102.9831 26.01485 396.3101       157.1469 345.5237       175.4451 602.3917       353.4168 93.44670 28.99647 107.0751 40.72050 -13.62836      49.98954 
1 1 1 0   15 49 o 106.4933 20.14441 388.6918       121.2063 366.9507       179.2240 407.0161       164.5392 95.64290 29.24146 103.2071 26.91069 -7.564156      39.73976 
1 1 1 0   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   16 1  o 875.8361 15.06126 22544.57       773.6327 22464.59       1085.438 22627.15       1102.935 873.3214 21.19242 876.4265 21.45774 -3.105164      30.15880 
1 1 1 0   16 2  f 181.3841 6.632289 966.4680       70.43384 1033.330       81.87060 776.0430       138.1661 187.5197 7.459298 161.8426 14.71733 25.67709       16.49973 
1 1 1 0   16 3  o 746.2911 9.236829 16345.68       404.2795 15750.11       541.3483 17096.69       607.8956 732.3030 12.60478 762.8690 13.58715 -30.56598      18.53352 
1 1 1 0   16 4  o 353.4020 6.404904 3663.821       132.7493 3640.926       156.5152 3722.508       250.5901 352.2677 7.575880 355.8375 12.02503 -3.569763      14.21250 
1 1 1 0   16 5  o 688.4088 9.935946 13910.38       401.1494 13494.93       468.5464 15050.95       776.3450 677.9157 11.78491 714.9709 18.53028 -37.05524      21.96032 
1 1 1 0   16 6  o 497.8219 7.736002 7271.588       225.8609 7050.447       262.7708 7897.087       441.9327 490.1354 9.141353 518.1936 14.55607 -28.05820      17.18847 
1 1 1 0   16 7  o 189.0211 7.230635 1049.800       80.00842 1014.662       91.14064 1167.855       167.0589 185.7606 8.387444 198.8350 14.42412 -13.07436      16.68546 
1 1 1 0   16 8  o 655.1900 8.824994 12598.17       339.1034 12217.26       432.3230 13207.26       546.6882 645.0320 11.42817 670.4385 13.90369 -25.40649      17.99766 
1 1 1 0   16 9  o 428.4478 8.150831 5386.729       204.8096 5585.655       326.2525 5257.348       263.1150 435.8755 12.77644 423.0341 10.61360 12.84137       16.60982 
1 1 1 0   16 10 o 913.5424 13.85921 24524.29       742.5362 23899.37       1144.735 24978.21       975.6296 900.4532 21.67671 921.2795 18.05689 -20.82623      28.21225 
1 1 1 0   16 11 o 445.2226 10.58493 5820.097       276.3857 6140.102       360.4337 5363.382       430.5952 456.9211 13.46504 426.6015 17.24616 30.31964       21.88007 
1 1 1 0   16 12 o 464.0350 10.71930 6322.952       291.7210 6458.973       376.2145 6117.843       461.9813 468.5964 13.70417 455.6167 17.32072 12.97974       22.08646 
1 1 1 0   16 13 o 802.2507 15.69461 18931.90       738.4333 18229.90       884.2808 20549.29       1342.243 786.6352 19.16754 832.6927 27.52282 -46.05750      33.53953 
1 1 1 0   16 14 o 288.5566 7.720404 2445.351       130.5363 2204.720       196.3692 2635.875       174.7317 273.6488 12.26690 299.4488 9.963312 -25.79999      15.80330 
1 1 1 0   16 15 o 836.5964 12.99157 20574.21       637.4235 20385.49       997.3685 20704.53       828.7708 831.2377 20.45879 838.5373 16.85239 -7.299622      26.50595 
1 1 1 0   16 16 o 99.50884 11.53261 294.8755       66.05908 133.4517       129.5254 351.6241       76.79778 71.37756 25.03101 108.6855 12.26214 -37.30795      27.87313 
1 1 1 0   16 17 o 65.74389 15.35842 132.4072       58.14334 -11.83416      125.4136 171.8980       65.62172 52.27935 22.53022 75.03674 15.42725 -22.75740      27.30588 
1 1 1 0   16 18 o 284.2995 6.697172 2372.358       111.6653 2140.643       152.4723 2640.415       163.9934 269.7508 9.653360 299.6538 9.343017 -29.90302      13.43426 
1 1 1 0   16 19 o 373.0680 7.357059 4086.481       160.9692 3845.227       242.2604 4277.188       215.3908 361.3823 11.44493 381.3793 9.637571 -19.99701      14.96226 
1 1 1 0   16 20 o 119.4067 8.069961 420.7279       56.18133 455.0621       95.93844 402.8090       69.30817 123.5548 13.45703 116.5948 10.23962 6.960068       16.90981 
1 1 1 0   16 21 o 173.9240 6.010437 889.0626       61.21572 856.0059       64.92843 1153.563       183.6617 170.6223 6.500452 196.9351 16.04055 -26.31279      17.30766 
1 1 1 0   16 22 o 147.5881 6.588307 640.9582       56.88260 638.3129       60.17956 663.1349       174.2463 147.2506 6.988476 147.9426 20.64400 -0.6919861     21.79481 
1 1 1 0   16 23 o 237.7701 5.773026 1659.900       80.50283 1621.259       87.28056 1880.108       208.3589 234.8705 6.342146 251.8681 14.16255 -16.99757      15.51775 
1 1 1 0   16 24 o 405.0443 6.440621 4819.152       152.9963 4766.864       173.8408 4998.805       322.2334 402.7354 7.360061 411.1455 13.38146 -8.410065      15.27200 
1 1 1 0   16 25 o 221.7318 6.472032 1445.686       84.07252 1436.013       92.18150 1493.522       204.9958 220.9237 7.123923 223.8907 15.71174 -2.967041      17.25135 
1 1 1 0   16 26 o 360.0337 6.236271 3808.220       131.6796 3850.376       148.5501 3653.602       284.4927 361.9329 6.998328 351.0933 13.84364 10.83966       15.51203 
1 1 1 0   16 27 o 187.4215 7.674030 1034.801       84.17319 1038.825       90.92557 1010.687       222.5820 187.7157 8.279510 182.4742 21.19253 5.241486       22.75245 
1 1 1 0   16 28 o 227.0373 7.421532 1517.298       98.68640 1476.074       107.4818 1738.698       249.0883 223.8337 8.201510 240.9864 17.74876 -17.15268      19.55206 
1 1 1 0   16 29 o 390.7088 6.835856 4486.741       156.6378 4559.596       177.5611 4231.108       332.6039 393.7476 7.689167 377.4512 15.05526 16.29645       16.90515 
1 1 1 0   16 30 o 308.5824 6.981876 2799.166       126.3554 2807.111       139.0820 2761.614       302.3623 308.9410 7.676173 304.2157 17.01491 4.725342       18.66630 
1 1 1 0   16 31 o 76.79865 18.09851 182.8954       80.17227 196.8638       84.59137 59.58447       251.3348 79.65810 18.46733 78.47891 32.76493 1.179184       37.61094 
1 1 1 0   16 32 o 44.77667 18.35826 21.61275       76.96575 45.97684       80.93227 -208.8282      248.9008 49.48377 19.30892 60.89932 28.40325 -11.41555      34.34501 
1 1 1 0   16 33 o 242.4322 7.295949 1731.209       103.6163 1665.339       111.1824 2166.362       285.7667 237.6648 7.988008 268.2128 18.27612 -30.54799      19.94555 
1 1 1 0   16 34 o 168.0449 9.533063 836.4177       93.56713 786.5690       99.27982 1232.556       279.8709 162.7771 10.45490 199.2569 24.46202 -36.47980      26.60254 
1 1 1 0   16 35 o 267.2455 7.419259 2105.475       116.1719 2123.250       124.8922 1991.356       316.4491 268.2675 7.946860 255.0230 21.35385 13.24449       22.78463 
1 1 1 0   16 36 o 251.1057 7.893462 1861.352       116.1007 1884.930       125.7172 1724.680       302.6751 252.5593 8.499630 236.3993 22.08699 16.16006       23.66599 
1 1 1 0   16 37 o 160.4857 10.75313 767.8331       100.6256 749.5549       106.1064 931.1754       317.1937 158.3685 11.50251 166.2429 33.68883 -7.874313      35.59838 
1 1 1 0   16 38 o 121.2733 16.75759 454.3407       116.0046 496.7322       126.1693 222.5968       294.9977 126.6349 17.45184 92.04532 36.57169 34.58955       40.52228 
1 1 1 0   16 39 o 42.66390 18.68014 -11.49992      89.09080 -6.093407      94.27614 -56.63197      272.3865 44.49356 19.35311 69.24140 31.32267 -24.74784      36.81918 
1 1 1 0   16 40 o 220.6847 8.231274 1447.480       106.3477 1498.283       113.4262 1078.138       305.8316 224.3790 8.635595 175.9560 30.75561 48.42296       31.94497 
1 1 1 0   16 41 o 162.9425 10.56817 798.9400       100.4467 772.3837       105.4875 1057.050       328.8663 159.9003 11.32189 169.5631 34.25080 -9.662827      36.07357 
1 1 1 0   16 42 o 180.7741 10.05858 982.6315       106.2203 955.9218       111.9631 1223.146       335.9781 177.9676 10.77765 182.7777 32.53551 -4.810181      34.27415 
1 1 1 0   16 43 o 264.8979 8.128472 2093.440       126.1316 2075.400       134.3827 2226.960       365.5913 263.4199 8.710473 256.2157 24.63304 7.204224       26.12775 
1 1 1 0   16 44 o 198.4259 9.803738 1187.122       113.7349 1165.662       120.9986 1349.938       333.2802 196.1939 10.55470 190.7777 30.83894 5.416214       32.59512 
1 1 1 0   16 45 o 65.18910 22.63733 139.2667       105.7897 139.6979       110.7694 134.7924       356.8384 65.48720 23.13265 80.23669 36.11400 -14.74949      42.88754 
1 1 1 0   16 46 o 42.84369 19.48760 -37.14515      107.2079 -22.87297      112.6411 -174.4733      349.4071 45.18757 20.31855 65.82535 31.55177 -20.63778      37.52810 
1 1 1 0   16 47 o 172.0824 12.14117 915.0358       121.7449 912.8261       129.8056 931.1882       350.9500 171.2224 13.02425 139.2624 40.53099 31.95998       42.57220 
1 1 1 0   16 48 o 49.21079 21.10866 27.39140       109.1128 36.45091       113.8024 -75.78394      384.0493 50.94403 21.69673 70.19078 33.49010 -19.24675      39.90408 
1 1 1 0   17 1  o 725.0450 12.84471 15440.92       546.1850 16459.95       828.7817 14658.55       726.1900 747.6250 18.91711 705.9306 17.54033 41.69440       25.79768 
1 1 1 0   17 2  o 304.7045 8.126766 2726.322       145.0973 2706.437       189.8515 2754.249       224.9919 303.4377 10.68495 305.9710 12.56496 -2.533295      16.49383 
1 1 1 0   17 3  o 467.7408 7.724291 6419.417       211.8919 6070.646       327.0974 6671.600       278.1409 454.4805 12.28315 476.7442 9.947843 -22.26373      15.80618 
1 1 1 0   17 4  o 551.3253 8.414945 8919.766       272.0882 8754.646       321.3965 9337.489       511.1946 546.1144 10.03476 563.3856 15.48610 -17.27124      18.45307 
1 1 1 0   17 5  o 581.4647 8.802045 9922.447       300.1632 10103.21       370.4956 9577.176       512.0493 586.6193 10.76902 570.5868 15.31555 16.03247       18.72265 
1 1 1 0   17 6  o 290.3400 6.816871 2473.140       116.0760 2423.497       131.9228 2643.336       244.2681 287.2817 7.837314 299.6069 13.93980 -12.32513      15.99192 
1 1 1 0   17 7  o 495.9599 9.894557 7220.625       287.8018 7179.462       393.3679 7268.040       422.1847 494.1266 13.58697 497.0735 14.49758 -2.946899      19.86921 
1 1 1 0   17 8  o 557.3555 8.673917 9116.914       283.5294 8957.784       336.7817 9504.173       525.3792 552.3694 10.39605 568.3053 15.77833 -15.93591      18.89533 
1 1 1 0   17 9  o 218.4638 10.25757 1404.281       131.0569 1195.897       193.6619 1580.343       178.0106 200.9550 16.57954 231.5475 13.16279 -30.59248      21.16932 
1 1 1 0   17 10 o 420.3120 9.520331 5185.995       234.6791 4922.625       301.8766 5588.292       373.0953 409.1423 12.59570 435.7483 14.62005 -26.60602      19.29761 
1 1 1 0   17 11 o 599.5443 13.00678 10562.75       457.3424 11524.20       615.1563 9374.620       683.8422 625.5764 16.78213 563.5336 20.72650 62.04279       26.66885 
1 1 1 0   17 12 o 371.0456 12.29358 4049.583       267.1506 4049.583       267.1506 0.000000       0.000000 371.0456 12.29358 ?        ?        0.000000       12.29358 
1 1 1 0   17 13 o 743.8992 14.85484 16277.19       648.0861 0.000000       0.000000 16277.19       648.0861 ?        ?        743.8992 14.85484 0.000000       14.85484 
1 1 1 0   17 14 o 483.6038 11.17371 6871.075       316.9111 0.000000       0.000000 6871.075       316.9111 ?        ?        483.6038 11.17371 0.000000       11.17371 
1 1 1 0   17 15 o 252.4150 10.24611 1874.726       151.3635 1688.324       189.0778 2207.344       252.5733 239.1962 13.53354 273.3279 15.82390 -34.13171      20.82192 
1 1 1 0   17 16 o 853.3641 13.22171 21425.82       661.7177 20869.54       1011.155 21842.51       875.1337 840.2456 20.51922 860.5918 17.33911 -20.34619      26.86416 
1 1 1 0   17 17 o 212.3587 8.796403 1326.833       109.3162 1395.934       173.6443 1281.467       140.6959 217.3243 13.69353 208.4332 11.55492 8.891037       17.91728 
1 1 1 0   17 18 o 220.0788 8.173027 1424.498       105.3068 1438.849       124.6487 1388.716       196.8219 221.0594 9.637695 216.4402 15.61034 4.619156       18.34578 
1 1 1 0   17 19 o 422.0840 7.179240 5231.418       177.7165 5106.236       245.4018 5369.470       257.7078 416.7278 10.04095 427.3061 10.28343 -10.57828      14.37253 
1 1 1 0   17 20 o 116.2751 8.544895 399.4614       57.86287 372.9890       99.47614 412.9985       71.13524 111.3019 15.67277 118.0325 10.38188 -6.730598      18.79945 
1 1 1 0   17 21 o 256.2127 5.614471 1927.028       84.36456 1886.603       92.20943 2134.741       209.0158 253.4810 6.202680 268.6799 13.30597 -15.19891      14.68067 
1 1 1 0   17 22 o 68.65222 11.94953 142.9136       46.36552 124.6732       48.20930 367.7882       169.2716 63.82235 13.31126 108.4497 26.77620 -44.62739      29.90242 
1 1 1 0   17 23 o 241.6122 5.849761 1714.218       82.89101 1772.300       91.05752 1433.288       200.2603 245.5610 6.328021 219.4433 15.66344 26.11769       16.89340 
1 1 1 0   17 24 o 120.8565 7.992878 431.4025       56.33502 376.1441       59.26706 948.7956       181.3530 112.6923 9.043295 177.8069 17.62264 -65.11460      19.80754 
1 1 1 0   17 25 o 100.9528 11.33825 304.4018       65.97074 304.4018       65.97074 0.000000       0.000000 100.9528 11.33825 ?        ?        0.000000       11.33825 
1 1 1 0   17 26 o 170.8441 8.244885 860.7803       82.36661 860.7803       82.36661 0.000000       0.000000 170.8441 8.244885 ?        ?        0.000000       8.244885 
1 1 1 0   17 27 o 332.3635 6.892101 3247.012       134.3431 3198.834       149.1462 3454.217       309.3027 329.7895 7.711249 340.8157 15.51509 -11.02618      17.32574 
1 1 1 0   17 28 o 294.3283 6.683670 2545.941       115.3712 2560.850       125.4153 2463.886       294.2236 295.1315 7.245768 287.1644 17.55401 7.967041       18.99064 
1 1 1 0   17 29 o 185.4055 9.441252 1015.064       102.3223 997.5520       109.4733 1136.119       287.8313 183.6877 10.20204 191.9893 26.24961 -8.301575      28.16245 
1 1 1 0   17 30 o 85.17722 17.32419 223.6330       83.59196 255.5612       88.60252 -34.94861      252.1492 91.22140 17.19189 71.73515 31.41707 19.48625       35.81332 
1 1 1 0   17 31 o 35.55163 16.42326 -63.47532      80.22601 -45.42435      85.15550 -205.9840      239.2672 38.69910 17.50917 59.55291 27.79940 -20.85381      32.85389 
1 1 1 0   17 32 o 243.8825 7.417649 1751.880       105.9723 1774.503       114.0997 1609.835       285.9031 245.3750 7.939180 230.0407 21.43841 15.33430       22.86124 
1 1 1 0   17 33 o 236.7823 7.663703 1652.847       106.2835 1651.360       113.8278 1662.965       296.8829 236.5818 8.216295 233.1285 21.97314 3.453262       23.45903 
1 1 1 0   17 34 o 118.2747 13.27259 420.9823       90.47915 401.2802       95.47891 594.4608       283.3178 115.1640 14.45399 133.3362 35.57341 -18.17222      38.39772 
1 1 1 0   17 35 o 486.3531 7.670053 6971.781       218.7765 6864.300       242.7562 7436.603       504.8333 482.2798 8.582636 496.8377 17.35202 -14.55795      19.35857 
1 1 1 0   17 36 f 172.0910 12.38332 885.9982       124.1458 850.7439       135.9412 1063.109       304.6970 168.1794 13.90669 180.8491 29.76213 -12.66971      32.85088 
1 1 1 0   17 37 o 148.7131 10.77363 660.6099       93.32697 618.9072       98.34937 1037.920       295.8275 143.6595 11.77639 177.6915 29.41539 -34.03198      31.68514 
1 1 1 0   17 38 o 44.65675 19.18763 1.869226       90.44225 -18.89588      94.91827 206.5930       298.0347 43.34925 19.12012 90.09845 36.42792 -46.74920      41.14088 
1 1 1 0   17 39 o 92.60120 17.73320 272.4296       92.80042 270.2799       98.20135 290.3750       283.7357 91.80712 18.86967 94.78413 36.37756 -2.977005      40.98038 
1 1 1 0   17 40 o 177.0952 9.878051 939.5420       102.1890 901.3009       107.8966 1272.579       318.4116 173.1346 10.67804 192.1622 29.16857 -19.02766      31.06165 
1 1 1 0   17 41 o 336.2136 7.482086 3353.559       147.5328 3392.817       160.2015 3134.384       378.5302 337.8481 8.085272 312.6430 20.76198 25.20505       22.28074 
1 1 1 0   17 42 o 84.37361 20.33987 237.1822       99.46311 222.4417       104.2859 385.5856       330.8958 81.25027 21.53928 99.24009 38.94911 -17.98981      44.50813 
1 1 1 0   17 43 o 107.7788 17.01193 372.6604       103.9688 363.8837       108.9029 462.9867       349.3668 105.8473 18.19914 103.7148 40.21676 2.132507       44.14291 
1 1 1 0   17 44 o 53.37949 21.53820 61.16503       103.9528 121.5264       109.5401 -485.6645      329.7002 62.76308 22.90015 55.85608 27.59392 6.906998       35.85863 
1 1 1 0   17 45 f 34.67640 16.86835 -164.5264      109.3371 -98.84251      114.9429 -789.0740      354.4340 39.83692 18.80605 51.32396 25.83762 -11.48703      31.95700 
1 1 1 0   17 46 o 222.1462 9.820378 1494.806       127.6271 1556.974       136.7293 1073.971       355.7426 226.3463 10.32722 154.3156 39.22855 72.03075       40.56514 
1 1 1 0   17 47 o 194.3846 11.43504 1161.523       129.7859 1197.643       138.1523 890.1024       378.7053 196.9213 12.01955 129.5977 42.84985 67.32364       44.50370 
1 1 1 0   17 48 o 89.23958 23.11010 287.4371       121.9002 288.4292       127.9598 277.7002       400.8747 88.75957 24.00713 84.90332 38.24050 3.856247       45.15172 
1 1 1 0   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   18 1  o 447.5039 7.743859 5876.172       203.2379 5884.727       241.7063 5855.527       375.4810 447.7699 9.204127 446.1358 14.36935 1.634064       17.06441 
1 1 1 0   18 2  o 591.2197 11.34544 10264.14       393.3876 11581.78       613.3427 9343.296       512.7436 627.2955 16.68654 563.5217 15.52935 63.77386       22.79477 
1 1 1 0   18 3  o 296.1903 6.592522 2573.760       114.5178 2527.228       142.3227 2659.210       192.8656 293.3440 8.280971 300.7431 10.95304 -7.399109      13.73111 
1 1 1 0   18 4  o 829.3052 11.89208 20198.80       578.3926 20626.94       723.7001 19441.79       962.3128 837.7000 14.73057 812.4265 20.19676 25.27350       24.99797 
1 1 1 0   18 5  o 404.0117 7.582538 4789.471       179.6632 5027.717       219.2302 4302.221       313.5192 413.8827 9.031766 382.3593 14.00478 31.52335       16.66454 
1 1 1 0   18 6  o 577.0721 8.969799 9774.137       303.5731 9599.078       357.2896 10228.59       575.6712 571.7735 10.65481 589.4406 16.66941 -17.66705      19.78369 
1 1 1 0   18 7  o 635.0605 9.591866 11839.07       357.2471 11668.57       424.5411 12252.68       661.2349 630.3242 11.48432 645.0180 17.49583 -14.69379      20.92830 
1 1 1 0   18 8  o 1099.492 15.31128 35549.38       987.3112 34912.82       1176.523 37064.93       1815.384 1088.916 18.42280 1119.115 27.65944 -30.19958      33.23318 
1 1 1 0   18 9  o 494.1892 7.554621 7166.671       218.9558 7131.647       283.1518 7218.763       345.3213 492.8602 9.795917 495.7213 11.87778 -2.861084      15.39616 
1 1 1 0   18 10 o 124.9445 18.97875 470.2402       134.7025 621.7363       177.9672 267.0355       206.1133 143.5663 21.82285 96.61883 31.59517 46.94749       38.39911 
1 1 1 0   18 11 f 840.0577 13.14353 20742.85       647.5477 19916.59       963.2458 21424.16       874.6876 821.8811 19.98378 852.9653 17.48522 -31.08423      26.55342 
1 1 1 0   18 12 o 508.5977 8.874391 7594.034       264.7058 7276.053       393.2334 7857.514       357.9505 497.2765 13.49596 517.1155 11.80280 -19.83899      17.92894 
1 1 1 0   18 13 o 673.2365 23.07254 13420.64       909.6435 0.000000       0.000000 13420.64       909.6435 ?        ?        673.2365 23.07254 0.000000       23.07254 
1 1 1 0   18 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   18 15 f 253.4589 7.750084 1887.806       115.0678 1716.036       173.2841 2023.290       153.8966 241.2381 12.28840 262.2230 10.02555 -20.98494      15.85927 
1 1 1 0   18 16 o 434.5587 14.41975 5568.894       366.9905 0.000000       0.000000 5568.894       366.9905 ?        ?        434.5587 14.41975 0.000000       14.41975 
1 1 1 0   18 17 o 102.6233 10.70217 313.0213       63.46679 418.2256       120.6297 272.7527       74.63127 117.6320 18.06190 95.25757 13.75697 22.37442       22.70433 
1 1 1 0   18 18 o 243.0693 6.694129 1735.966       95.33688 1666.965       135.7382 1803.144       133.9333 237.9181 9.748662 247.5126 9.242818 -9.594467      13.43377 
1 1 1 0   18 19 o 465.4904 7.504943 6364.896       204.8843 6432.647       292.1641 6299.337       287.3951 467.5523 10.65482 462.6917 10.59100 4.860535       15.02313 
1 1 1 0   18 20 o 122.6697 8.671512 444.5875       61.98329 367.3778       110.5636 479.9753       74.85195 109.9931 17.74303 127.3191 10.10730 -17.32605      20.41991 
1 1 1 0   18 21 o 30.65697 13.22403 -4.672017      43.28296 -171.0052      102.8464 31.12906       47.71418 34.16322 16.55840 39.13399 14.94297 -4.970776      22.30410 
1 1 1 0   18 22 o 107.6176 8.350660 342.6108       52.29320 351.6448       54.76385 249.2113       176.0863 109.0029 8.637095 91.27641 29.14936 17.72646       30.40205 
1 1 1 0   18 23 o 435.5610 6.717404 5574.316       171.5935 5549.007       197.2790 5652.968       347.7764 434.4277 7.743063 437.0635 13.58416 -2.635803      15.63599 
1 1 1 0   18 24 o 86.46963 11.19533 224.1749       55.44292 193.0010       57.64021 609.8278       202.7348 79.85290 12.73540 140.0236 25.63174 -60.17066      28.62126 
1 1 1 0   18 25 o 258.5429 6.363255 1964.100       96.48560 1885.789       103.7637 2464.317       262.2490 253.1873 6.994703 287.7426 15.59862 -34.55528      17.09511 
1 1 1 0   18 26 o 98.60265 11.64548 290.9532       66.04575 269.0248       69.10062 522.6390       224.6094 94.55784 12.78793 128.1336 30.35793 -33.57577      32.94139 
1 1 1 0   18 27 o 266.3018 7.342373 2086.722       114.5636 2101.063       125.7412 2016.651       277.9509 267.1255 8.035367 259.4434 18.38644 7.682098       20.06560 
1 1 1 0   18 28 o 113.8325 14.18607 389.5013       92.65672 420.9378       98.66125 154.5636       269.7155 118.3372 14.51986 88.72080 35.05884 29.61638       37.94665 
1 1 1 0   18 29 o 51.39880 20.26326 45.95557       89.91118 16.17094       94.82219 311.3570       283.0515 48.29080 20.14048 104.4836 36.97191 -56.19275      42.10180 
1 1 1 0   18 30 o 206.0838 8.104767 1251.867       97.76588 1223.511       103.7910 1475.055       291.1828 203.6508 8.710180 220.0083 22.90195 -16.35742      24.50238 
1 1 1 0   18 31 o 378.5193 6.982110 4214.066       154.9977 4235.332       172.2767 4123.724       355.0886 379.3423 7.743632 371.6153 16.33258 7.727081       18.07531 
1 1 1 0   18 32 o 152.4543 10.22077 689.5749       90.85683 692.2188       95.92441 666.5165       283.2827 152.6475 10.78434 142.3675 34.33006 10.27998       35.98409 
1 1 1 0   18 33 o 224.6115 7.749145 1488.054       101.9261 1524.175       108.0673 1197.069       306.7260 227.2598 8.121192 194.7661 27.62693 32.49377       28.79585 
1 1 1 0   18 34 o 417.1776 7.144464 5125.431       174.7999 4900.380       188.0509 6555.599       474.0549 407.7309 7.864141 466.6270 17.35263 -58.89612      19.05147 
1 1 1 0   18 35 o 66.86565 20.84326 136.4486       90.53934 126.5829       95.31749 227.5163       289.5947 65.33598 21.49265 94.27567 36.59901 -28.93970      42.44316 
1 1 1 0   18 36 o 231.5975 8.121518 1586.024       110.1410 1588.115       117.1496 1570.100       323.2836 231.6241 8.639093 222.7281 25.19065 8.895920       26.63086 
1 1 1 0   18 37 o 154.5357 10.62598 713.9602       95.71870 709.6550       101.3028 749.8129       292.3390 153.8739 11.30441 146.3177 34.61253 7.556122       36.41177 
1 1 1 0   18 38 o 102.7904 16.18764 329.4946       94.36177 345.9531       99.67826 187.4363       292.8454 105.1787 16.71815 87.34629 35.81050 17.83241       39.52074 
1 1 1 0   18 39 o 94.69315 25.14254 303.3954       141.9544 267.3022       160.1814 435.4664       306.4098 88.61841 27.73891 107.8570 38.43674 -19.23859      47.40075 
1 1 1 0   18 40 o 59.20664 21.46093 99.73996       95.98512 175.6448       100.6734 -658.7543      318.2411 73.12275 21.82189 52.16975 25.99834 20.95300       33.94272 
1 1 1 0   18 41 o 95.21230 18.45734 293.6910       99.34399 285.2361       104.8581 367.7975       310.4383 93.18382 19.79855 98.71130 38.00795 -5.527473      42.85542 
1 1 1 0   18 42 o 288.6831 7.844877 2483.039       132.6952 2455.879       142.3691 2662.764       366.2295 286.7201 8.475866 283.8769 22.17326 2.843201       23.73802 
1 1 1 0   18 43 o 51.30879 20.98390 48.84476       100.2413 32.49274       105.0130 216.6088       336.3620 50.05000 21.05586 85.34017 36.83850 -35.29017      42.43141 
1 1 1 0   18 44 o 44.65096 19.89147 -15.60641      105.2890 36.92570       110.7247 -511.5673      340.2169 51.23890 21.59215 55.96246 27.71573 -4.723553      35.13378 
1 1 1 0   18 45 o 58.28016 22.69784 93.62453       111.6629 91.05819       117.6340 116.9958       354.9902 58.55241 23.14828 78.08300 35.49475 -19.53059      42.37594 
1 1 1 0   18 46 o 44.63613 20.20830 -29.55498      113.6505 -11.60364      120.9543 -164.8725      332.0856 47.55568 21.24370 64.23008 30.77985 -16.67440      37.39912 
1 1 1 0   18 47 o 115.8896 19.83000 455.5943       129.9356 379.1560       138.7551 1000.183       370.3634 102.6479 23.54990 140.8510 41.81156 -38.20300      47.98754 
1 1 1 0   18 48 o 68.56478 24.62357 165.1846       126.0040 143.6863       134.4419 320.5008       361.3613 65.85187 25.09806 85.92700 37.62203 -20.07513      45.22532 
1 1 1 0   19 1  o 551.6168 8.982100 8931.055       290.5801 9079.453       351.6606 8611.635       515.9283 556.0658 10.78318 540.8408 16.28412 15.22504       19.53074 
1 1 1 0   19 2  o 622.5516 11.74767 11383.40       428.9212 10915.22       562.4380 12034.13       663.0842 609.0205 15.76004 639.2014 17.70513 -30.18085      23.70338 
1 1 1 0   19 3  o 351.3250 7.995697 3622.154       164.7464 3843.476       194.0054 3049.880       311.9630 361.7415 9.151954 321.5537 16.59860 40.18784       18.95446 
1 1 1 0   19 4  o 442.3808 7.879116 5742.972       204.4204 5580.964       234.2896 6259.608       418.3858 436.0393 9.161716 461.1008 15.49344 -25.06149      17.99954 
1 1 1 0   19 5  o 461.1510 8.154637 6241.085       220.5455 6302.692       261.5849 6089.638       410.1364 463.3473 9.626215 454.7888 15.39908 8.558441       18.16028 
1 1 1 0   19 6  o 328.3847 7.617463 3164.480       146.7046 3280.652       169.7760 2822.055       291.4807 334.2101 8.669080 309.3022 16.12421 24.90790       18.30691 
1 1 1 0   19 7  o 433.7920 7.633384 5522.180       194.2000 5414.321       225.4544 5832.317       382.3018 429.4740 8.950994 445.1169 14.66476 -15.64294      17.18067 
1 1 1 0   19 8  o 174.7951 9.809222 899.9061       100.1540 852.1752       111.7387 1094.953       225.8775 169.9565 11.27398 191.6377 20.41120 -21.68129      23.31780 
1 1 1 0   19 9  o 705.6916 11.31715 14629.30       468.3845 14892.58       535.0933 13766.46       968.6943 711.8344 12.81740 681.9673 24.25855 29.86707       27.43653 
1 1 1 0   19 10 o 279.8540 7.789169 2300.424       127.7175 2267.649       143.0212 2429.454       283.7773 277.7880 8.789890 286.7333 16.95084 -8.945282      19.09432 
1 1 1 0   19 11 o 524.0013 11.56236 8068.857       355.3281 7941.931       439.2995 8309.026       604.2861 519.3558 14.43666 530.3572 19.46080 -11.00146      24.23097 
1 1 1 0   19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   19 13 o 547.0970 15.61270 8825.106       500.4361 0.000000       0.000000 8825.106       500.4361 ?        ?        547.0970 15.61270 0.000000       15.61270 
1 1 1 0   19 14 o 554.3950 9.398283 9029.448       305.5754 8865.327       469.5464 9150.025       402.4652 548.4252 14.61160 557.7171 12.30450 -9.291931      19.10234 
1 1 1 0   19 15 o 395.5716 9.611501 4598.238       222.9805 4718.972       291.9533 4429.220       345.4343 400.2523 12.45253 387.3191 15.23682 12.93329       19.67806 
1 1 1 0   19 16 o 519.1681 8.945305 7919.877       272.3665 7911.139       429.2867 7925.764       352.3712 517.9037 14.14669 519.0060 11.57650 -1.102234      18.27961 
1 1 1 0   19 17 o 648.7120 10.38783 12377.91       395.2095 12720.60       646.5228 12173.47       499.3734 655.8037 16.82357 642.7202 13.24808 13.08350       21.41364 
1 1 1 0   19 18 o 491.0384 8.505160 7086.594       244.9337 7183.865       388.1460 7022.230       315.7360 493.3834 13.42653 488.4272 11.02234 4.956268       17.37135 
1 1 1 0   19 19 o 493.8235 7.767051 7165.957       224.9461 7319.584       322.4915 7020.381       313.9251 498.5587 11.02939 488.2750 10.96254 10.28369       15.55071 
1 1 1 0   19 20 o 107.0679 9.113667 339.6258       56.68384 443.1156       100.9741 292.0055       68.49474 121.6169 14.43824 98.79665 12.07171 22.82027       18.81991 
1 1 1 0   19 21 o 207.0530 6.998479 1261.092       84.86160 1345.426       133.1836 1203.450       110.1073 213.4397 10.67346 202.0119 9.318808 11.42784       14.16909 
1 1 1 0   19 22 o 282.2214 5.848789 2339.177       96.80692 2294.378       105.9398 2565.916       238.3338 279.4587 6.463844 294.2343 13.85041 -14.77557      15.28447 
1 1 1 0   19 23 o 164.4884 6.990570 796.6741       67.28327 796.6741       67.28327 0.000000       0.000000 164.4884 6.990570 ?        ?        0.000000       6.990570 
1 1 1 0   19 24 o 222.9174 6.144029 1461.010       80.24786 1427.444       85.50285 1709.175       232.4879 220.2924 6.625588 239.2163 16.67581 -18.92389      17.94383 
1 1 1 0   19 25 o 390.8158 6.633161 4488.799       152.0349 4451.461       171.1758 4628.303       330.8730 389.0665 7.501842 394.9935 14.30668 -5.926941      16.15422 
1 1 1 0   19 26 o 230.8002 6.796038 1567.010       91.89018 1540.586       97.58138 1773.927       273.0625 228.7903 7.281690 242.9668 19.32209 -14.17648      20.64864 
1 1 1 0   19 27 o 198.1874 8.430862 1157.924       97.76992 1188.579       104.0046 924.9904       286.6934 200.7439 8.855842 171.8030 29.51687 28.94089       30.81674 
1 1 1 0   19 28 o 431.8781 7.219095 5483.980       182.8498 5511.114       203.8168 5372.081       413.9028 432.8092 8.029582 424.7126 16.64926 8.096588       18.48437 
1 1 1 0   19 29 o 256.6404 7.300161 1938.555       109.7657 1978.735       117.8449 1675.294       301.6454 259.2267 7.760144 234.9427 22.15348 24.28400       23.47331 
1 1 1 0   19 30 o 437.2206 7.426989 5624.245       190.4425 5615.361       212.7133 5660.129       427.5179 436.6938 8.305526 435.3563 16.77538 1.337463       18.71884 
1 1 1 0   19 31 o 133.8224 11.86696 534.1744       92.17166 489.6289       97.32729 921.5307       287.0041 127.8180 13.17190 170.1538 29.84839 -42.33581      32.62553 
1 1 1 0   19 32 o 60.93016 20.56250 105.9174       87.13893 100.7184       91.34830 158.4612       290.4026 60.45696 21.03312 89.64987 36.06025 -29.19291      41.74606 
1 1 1 0   19 33 o 43.45156 18.58481 0.3998382      84.13550 -13.56239      88.55625 129.8629       269.6589 42.87313 18.70091 84.90998 34.53303 -42.03685      39.27155 
1 1 1 0   19 34 o 144.7807 11.25316 625.2684       94.80128 607.8681       100.3833 768.7994       288.3077 142.5457 12.12251 152.1156 33.24744 -9.569839      35.38852 
1 1 1 0   19 35 o 310.1175 7.463893 2836.338       135.7507 2799.232       146.3065 3066.008       363.9924 307.8190 8.111410 316.5455 19.70446 -8.726501      21.30870 
1 1 1 0   19 36 o 127.0221 12.90109 487.3803       94.77548 491.5869       99.90941 449.5764       299.5101 127.3752 13.58365 113.8625 38.11971 13.51273       40.46762 
1 1 1 0   19 37 o 108.7347 14.83852 363.8779       92.15943 383.4499       96.64004 167.3716       306.2162 111.5546 15.16351 87.45049 36.30999 24.10414       39.34904 
1 1 1 0   19 38 o 158.1399 10.93511 751.8579       100.7935 790.2089       106.8686 443.0211       303.2679 161.9998 11.31948 109.2327 38.30172 52.76713       39.93936 
1 1 1 0   19 39 o 109.7829 15.48104 375.8860       96.91098 416.3813       101.9819 -1.205878      311.2033 115.6628 15.41780 74.95498 33.73220 40.70782       37.08868 
1 1 1 0   19 40 o 99.96912 22.41208 334.3775       128.1471 361.9851       139.1895 180.8007       328.2878 103.5483 23.46462 86.09745 36.76498 17.45085       43.61481 
1 1 1 0   19 41 o 157.4179 11.50366 753.2487       105.4708 737.6507       111.7319 880.8383       319.5581 155.3487 12.36561 148.5031 36.86358 6.845596       38.88229 
1 1 1 0   19 42 o 235.7423 9.449576 1669.716       130.3826 1757.492       140.7406 1138.376       346.2718 241.5513 9.956150 169.4624 35.95596 72.08888       37.30892 
1 1 1 0   19 43 o 98.57265 18.88098 321.0909       105.1791 351.0023       110.9392 55.28220       330.7127 103.0651 19.05540 75.41276 34.27254 27.65231       39.21371 
1 1 1 0   19 44 o 93.50182 20.67003 298.0793       110.3303 342.7274       115.9757 -127.3277      357.9878 100.6493 20.34785 68.62254 32.62661 32.02679       38.45167 
1 1 1 0   19 45 o 48.41687 21.04140 13.68531       111.2416 14.25980       117.1210 8.390511       355.5668 49.47208 21.54404 72.91735 33.98833 -23.44527      40.24118 
1 1 1 0   19 46 o 74.97184 24.70233 203.5264       125.8937 183.5520       136.6858 315.2422       323.2543 71.90569 25.66671 86.82425 36.75566 -14.91856      44.83033 
1 1 1 0   19 47 o 121.6223 19.49515 499.4973       134.3602 458.8241       144.5996 756.5568       363.5208 114.1345 22.40248 118.4495 41.90039 -4.314941      47.51330 
1 1 1 0   20 0  o 258.1830 10.97729 1959.725       165.8369 1705.547       202.2373 2481.471       289.7487 240.5796 14.39938 290.1261 17.10470 -49.54649      22.35873 
1 1 1 0   20 1  o 957.9865 13.56440 26975.56       762.0974 26591.88       912.6107 27859.62       1385.285 950.6351 16.36897 970.7042 24.35256 -20.06915      29.34263 
1 1 1 0   20 2  o 702.7712 12.82797 14513.68       528.7160 13979.77       697.4026 15235.28       810.7733 688.9116 17.27477 718.8153 19.24965 -29.90375      25.86439 
1 1 1 0   20 3  o 185.3949 9.036506 1011.369       97.95774 1160.257       118.4890 689.8774       174.1139 198.5171 10.21155 151.6856 20.06369 46.83144       22.51283 
1 1 1 0   20 4  o 365.3217 7.336504 3916.371       157.1864 4028.392       184.9467 3624.956       298.2993 370.4634 8.512376 350.8007 14.53057 19.66275       16.84036 
1 1 1 0   20 5  o 548.7162 10.66360 8842.795       343.1645 8358.110       437.6795 9616.186       552.8738 532.9836 14.01421 571.3539 16.51682 -38.37030      21.66110 
1 1 1 0   20 6  o 484.6768 7.938448 6894.584       225.6516 6732.959       260.8768 7374.785       449.6691 478.8843 9.288687 500.4361 15.33935 -21.55182      17.93252 
1 1 1 0   20 7  o 198.6086 8.384118 1159.931       97.43790 1215.616       110.1365 959.3616       209.0229 203.2675 9.263093 179.2240 20.23964 24.04349       22.25866 
1 1 1 0   20 8  o 832.6097 11.83424 20372.27       577.8730 20123.11       692.1517 20945.54       1049.893 827.0986 14.26900 841.9590 21.27903 -14.86035      25.62033 
1 1 1 0   20 9  o 364.0806 6.742106 3889.917       143.9606 3891.533       180.2064 3887.067       239.3318 364.0790 8.439643 363.5330 11.23901 0.5460510      14.05500 
1 1 1 0   20 10 o 320.8100 7.635761 3021.096       143.6649 3085.506       160.4174 2760.130       322.8997 324.0648 8.447721 305.3867 18.11013 18.67807       19.98351 
1 1 1 0   20 11 o 213.9584 11.36448 1349.470       142.0917 1205.529       176.8472 1611.646       238.6718 201.7682 15.05345 233.0970 17.58854 -31.32886      23.15088 
1 1 1 0   20 12 o 298.0159 7.835174 2609.443       136.8238 2589.174       202.3047 2626.530       185.7498 296.5040 11.65660 298.7477 10.61853 -2.243652      15.76799 
1 1 1 0   20 13 f 644.0569 11.87981 12202.21       448.7292 11850.53       601.0900 12644.93       674.4191 633.6511 16.18805 654.1776 17.59455 -20.52655      23.90860 
1 1 1 0   20 14 o 394.7028 9.235179 4577.856       213.7795 4461.004       278.7456 4744.754       333.1320 389.1392 12.22903 401.0217 14.18674 -11.88251      18.73000 
1 1 1 0   20 15 o 272.7088 9.023574 2187.951       144.1218 2032.642       178.7878 2476.139       243.5430 262.5497 11.64010 289.4332 14.39267 -26.88348      18.51056 
1 1 1 0   20 16 o 358.2183 7.509547 3769.116       157.7655 3661.765       239.7015 3851.162       209.5535 352.4836 11.61113 361.7416 9.886744 -9.257996      15.25012 
1 1 1 0   20 17 o 177.4323 8.153543 927.1177       84.61887 840.8971       140.0561 976.6843       106.1918 168.1812 14.33608 181.9347 9.990685 -13.75348      17.47389 
1 1 1 0   20 18 o 265.2879 7.082022 2068.895       110.0872 2156.486       173.5458 2009.918       142.4056 270.3851 10.96688 261.2382 9.309680 9.146912       14.38550 
1 1 1 0   20 19 o 439.8521 8.198677 5687.957       211.4954 5913.470       340.8209 5546.735       269.7064 447.4280 13.00210 433.9821 10.59666 13.44595       16.77330 
1 1 1 0   20 20 o 424.8374 7.293180 5304.237       181.7148 5335.235       257.7856 5273.623       256.1889 425.6064 10.32761 423.1425 10.32341 2.463898       14.60248 
1 1 1 0   20 21 o 33.18660 13.77275 7.896785       44.02782 -55.04493      101.1506 22.60913       48.90351 42.10600 19.06355 37.62481 14.90925 4.481197       24.20134 
1 1 1 0   20 22 o 151.5137 7.845047 676.9460       69.47306 701.4756       122.8432 665.4113       84.23845 153.3651 13.80519 150.0010 9.626409 3.364120       16.83006 
1 1 1 0   20 23 o 241.1096 6.137329 1709.014       86.71442 1682.360       93.43838 1874.468       232.8003 239.1663 6.668050 250.7643 15.91157 -11.59796      17.25227 
1 1 1 0   20 24 o 392.1734 6.589755 4519.918       151.5646 4391.377       166.4941 5141.769       366.2022 386.4538 7.345997 416.1060 15.03075 -29.65225      16.72983 
1 1 1 0   20 25 o 135.0760 8.682272 539.2467       68.41577 521.6901       71.49358 730.0837       235.7102 132.7801 9.238484 152.8925 27.28825 -20.11241      28.80969 
1 1 1 0   20 26 o 230.8839 7.691037 1569.504       103.9974 1555.163       111.8334 1661.213       282.8072 229.7474 8.313559 234.6514 20.76432 -4.904007      22.36677 
1 1 1 0   20 27 o 163.0113 10.12106 786.2333       96.28232 743.0004       101.8823 1147.387       294.4677 158.3112 11.04251 192.6991 26.77860 -34.38786      28.96602 
1 1 1 0   20 28 o 231.4452 8.570664 1579.131       116.1348 1676.164       127.2967 1097.482       283.6107 238.3770 9.122301 188.3448 26.39937 50.03223       27.93105 
1 1 1 0   20 29 o 323.0756 7.031745 3069.729       133.2348 3133.462       146.5110 2765.101       320.3100 326.3239 7.655450 303.6457 18.06846 22.67822       19.62333 
1 1 1 0   20 30 o 137.7776 11.13390 564.7230       89.19993 557.0474       94.24917 630.6548       276.2303 136.6977 11.87384 138.8637 34.15767 -2.165985      36.16261 
1 1 1 0   20 31 o 94.43181 16.50848 274.0671       88.10044 305.4520       93.22009 11.65210       269.5528 99.81871 16.49977 76.39985 32.97848 23.41886       36.87577 
1 1 1 0   20 32 o 127.2687 12.63629 485.6276       93.07307 547.6915       98.99799 13.19148       273.1357 135.2303 12.62854 76.66916 33.14613 58.56116       35.47035 
1 1 1 0   20 33 o 63.48165 20.69429 119.3521       88.45662 118.4800       93.10892 127.4305       283.3811 63.73661 21.25232 85.85860 35.21679 -22.12199      41.13251 
1 1 1 0   20 34 o 216.1856 8.634239 1382.715       109.2514 1325.209       115.8634 1843.853       328.0992 211.4693 9.365412 243.4098 23.26633 -31.94051      25.08053 
1 1 1 0   20 35 o 301.4771 7.369448 2681.729       130.2986 2731.388       141.7485 2411.065       330.9293 303.9986 7.957377 279.5933 20.32041 24.40530       21.82290 
1 1 1 0   20 36 o 109.5428 14.81520 368.5616       92.74153 336.1581       97.01176 712.5165       316.0667 103.9927 16.45318 139.8980 37.68406 -35.90527      41.11929 
1 1 1 0   20 37 f 152.4482 11.29274 699.4319       100.2485 722.2743       106.3565 517.5225       300.1379 154.7474 11.80816 117.4678 38.10684 37.27956       39.89441 
1 1 1 0   20 38 o 76.49339 20.84546 191.7219       96.04793 274.4834       100.8913 -608.7175      313.7643 92.13869 19.29039 53.09424 26.35110 39.04445       32.65730 
1 1 1 0   20 39 o 126.5757 13.72313 492.7220       100.2439 494.6911       105.5518 474.6077       320.1431 126.5011 14.48835 109.6889 39.26632 16.81220       41.85399 
1 1 1 0   20 40 o 87.11938 19.95302 250.7786       99.74924 274.1869       104.8289 26.65212       324.3716 91.08677 20.15733 76.02859 34.30695 15.05818       39.79051 
1 1 1 0   20 41 o 130.1536 13.41789 523.9120       100.9553 531.6703       106.8998 459.9173       307.0203 130.7416 14.16775 104.8274 38.32438 25.91420       40.85931 
1 1 1 0   20 42 o 191.8033 9.996340 1110.801       112.0589 1163.753       118.8813 688.7752       335.6152 196.1177 10.37274 123.3643 40.31553 72.75336       41.62854 
1 1 1 0   20 43 o 53.48191 21.68566 61.17572       105.9650 52.06519       111.1867 151.3938       349.8871 53.08376 21.94538 80.69970 36.08464 -27.61594      42.23389 
1 1 1 0   20 44 o 101.9905 19.26985 348.5849       111.0398 314.9777       116.1487 705.5919       378.5610 95.55379 21.27297 116.3365 42.55210 -20.78271      47.57332 
1 1 1 0   20 45 o 66.59396 23.45035 150.1427       113.7652 199.0884       119.3011 -340.8329      377.8484 74.62642 24.00947 62.48321 30.60213 12.14321       38.89660 
1 1 1 0   20 46 o 50.31531 22.18373 9.205591       127.6516 -10.40499      137.8295 127.4695       338.4723 50.18364 22.52769 76.04332 34.60329 -25.85968      41.29025 
1 1 1 0   20 47 o 60.48327 24.17998 103.9934       129.7425 182.1631       138.6815 -444.3976      367.3199 71.20167 25.79798 58.06322 28.76367 13.13845       38.63786 
1 1 1 0   21 1  o 528.8541 8.533731 8210.256       264.6826 8098.181       309.2245 8517.402       511.9102 525.1243 10.04064 537.6587 16.25308 -12.53436      19.10437 
1 1 1 0   21 2  o 330.8184 9.495698 3216.154       184.0422 3420.791       241.0227 2929.975       285.0262 340.9680 12.07201 315.1634 15.46774 25.80463       19.62102 
1 1 1 0   21 3  o 162.9441 10.21916 782.8496       97.16547 780.4938       105.4074 796.1711       250.6561 162.6158 11.11934 161.7034 27.40858 0.9124146      29.57820 
1 1 1 0   21 4  o 446.5349 9.611453 5855.356       251.7068 5981.719       343.7506 5709.284       369.5861 450.8725 13.01349 440.3138 14.33117 10.55869       19.35803 
1 1 1 0   21 5  o 981.2637 13.76128 28321.17       791.9453 28397.22       970.5819 28169.69       1369.854 981.8356 16.85555 975.6420 23.94049 6.193604       29.27895 
1 1 1 0   21 6  o 239.8496 7.627707 1690.285       107.1596 1638.155       118.6263 1921.498       249.8294 236.0550 8.583036 254.8327 16.81010 -18.77768      18.87453 
1 1 1 0   21 7  o 445.6118 7.595047 5828.748       198.4895 5981.140       241.5218 5511.660       348.3893 451.2977 9.125206 432.6051 13.74911 18.69260       16.50174 
1 1 1 0   21 8  o 329.0354 7.005063 3177.635       135.1777 3143.982       155.4293 3282.123       273.8769 327.2379 8.098764 333.6501 14.02761 -6.412140      16.19765 
1 1 1 0   21 9  f 581.8782 8.869236 9943.957       302.6696 9950.745       365.2681 9929.083       540.6680 581.8707 10.70372 580.2319 15.90334 1.638794       19.16992 
1 1 1 0   21 10 o 385.4453 6.739685 4360.746       152.3537 4434.233       195.1743 4246.121       243.7554 388.5655 8.564612 379.8919 10.95210 8.673615       13.90327 
1 1 1 0   21 11 o 568.7985 10.79631 9512.090       360.1507 8717.212       445.7654 11006.37       611.1835 543.8544 13.98730 610.4106 17.08939 -66.55621      22.08375 
1 1 1 0   21 12 o 413.0144 6.835466 5007.738       165.5708 4803.303       206.9172 5371.630       276.0614 404.3525 8.725410 427.2301 11.02698 -22.87759      14.06154 
1 1 1 0   21 13 o 227.1251 9.497228 1518.910       126.2273 1518.910       126.2273 0.000000       0.000000 227.1251 9.497228 ?        ?        0.000000       9.497228 
1 1 1 0   21 14 o 496.5377 9.996249 7250.492       291.0984 6755.459       366.6687 8094.391       478.7425 478.6259 13.07477 523.3358 15.61554 -44.70981      20.36651 
1 1 1 0   21 15 o 155.2381 9.584210 711.3755       86.83252 569.5717       135.3789 810.4884       113.1806 137.7085 17.13193 165.4840 11.73798 -27.77554      20.76736 
1 1 1 0   21 16 o 451.8263 8.106232 5999.798       214.8033 5511.613       306.7841 6469.305       300.8581 432.2916 12.11250 468.7405 10.94407 -36.44891      16.32438 
1 1 1 0   21 17 o 326.8298 7.365019 3138.570       141.1712 3096.581       218.7235 3168.551       184.8232 323.9655 11.53027 328.0169 9.617872 -4.051361      15.01501 
1 1 1 0   21 18 o 304.7495 7.222415 2728.986       129.0851 2894.574       204.9599 2620.124       166.1857 313.2139 11.17568 298.2339 9.513540 14.98004       14.67662 
1 1 1 0   21 19 o 279.1077 7.344695 2291.150       120.1209 2460.393       197.9739 2192.541       151.1161 288.5902 11.72143 272.7624 9.460929 15.82782       15.06323 
1 1 1 0   21 20 o 207.3588 7.610141 1265.893       92.39075 1398.436       162.8922 1203.030       112.1809 217.1878 12.84572 201.9099 9.500145 15.27785       15.97702 
1 1 1 0   21 21 o 398.5639 7.249790 4669.997       169.4626 4672.997       240.7447 4667.049       238.5826 398.0437 10.32148 397.8093 10.23468 0.2343445      14.53553 
1 1 1 0   21 22 o 270.5544 7.749508 2154.715       122.8377 2341.271       166.9849 1934.707       181.3389 281.6600 10.12532 255.6367 12.12992 26.02327       15.80054 
1 1 1 0   21 23 o 533.7123 8.334125 8382.303       260.8662 8087.836       296.9373 9378.236       546.0876 523.9371 9.663512 561.3737 16.60494 -37.43652      19.21218 
1 1 1 0   21 24 o 207.8357 6.909540 1271.102       84.10382 1302.194       89.04203 1013.879       256.1061 210.3306 7.229164 181.6803 24.67299 28.65039       25.71026 
1 1 1 0   21 25 o 88.42036 13.66724 236.6585       68.59022 222.3621       71.43095 405.7519       245.6612 85.43163 14.79209 113.4507 34.14188 -28.01905      37.20852 
1 1 1 0   21 26 o 179.1633 8.434923 946.7460       88.38113 909.6671       92.61661 1324.554       295.6383 175.5374 9.026716 208.0129 24.71638 -32.47551      26.31314 
1 1 1 0   21 27 o 123.3019 12.29383 453.7625       87.71760 449.7060       92.20183 492.4485       284.7366 122.6135 13.02068 123.8151 36.63737 -1.201584      38.88232 
1 1 1 0   21 28 o 500.9105 8.506505 7388.943       249.8974 7433.765       292.0163 7266.309       483.0205 502.0459 9.917749 493.4902 16.71335 8.555664       19.43445 
1 1 1 0   21 29 o 178.5957 9.978596 944.1974       104.1024 920.8397       111.1208 1111.778       297.6408 176.2227 10.80377 188.3884 27.77144 -12.16562      29.79890 
1 1 1 0   21 30 o 72.78844 20.34720 164.7662       90.21705 189.5115       94.78269 -73.68318      294.2259 77.80268 20.49190 74.26006 33.15565 3.542618       38.97711 
1 1 1 0   21 31 o 304.7858 7.267240 2735.482       129.9017 2755.604       141.3767 2626.403       329.1607 305.6896 7.892416 294.4279 19.16662 11.26175       20.72799 
1 1 1 0   21 32 o 133.1302 11.98036 530.1998       92.54041 541.7814       97.61819 427.4826       290.7150 134.4664 12.52240 114.2912 37.53190 20.17521       39.56581 
1 1 1 0   21 33 o 114.1064 14.68623 395.6176       96.00478 372.9886       101.0244 606.5035       308.4022 110.3625 16.08073 132.7452 37.79953 -22.38272      41.07791 
1 1 1 0   21 34 o 226.6820 8.272269 1520.049       109.7901 1522.028       116.5245 1504.396       327.6994 226.7048 8.780675 217.2499 26.25135 9.454880       27.68093 
1 1 1 0   21 35 o 179.9200 9.367464 962.7513       98.50394 926.0765       103.4466 1319.258       322.5274 176.2638 10.04860 200.5030 28.20679 -24.23923      29.94323 
1 1 1 0   21 36 o 86.73129 19.03472 241.2042       94.15884 217.9129       99.39850 444.8167       293.8898 81.94611 20.68397 110.6368 37.75774 -28.69065      43.05199 
1 1 1 0   21 37 o 260.1648 8.013316 2009.504       122.1218 1978.854       129.7128 2248.617       362.3016 257.9366 8.586677 263.1937 23.72614 -5.257172      25.23214 
1 1 1 0   21 38 o 108.9643 15.81449 371.7017       98.11308 353.4168       102.8852 555.2022       325.9313 105.6105 17.20254 117.6424 39.76778 -12.03185      43.32902 
1 1 1 0   21 39 o 80.78113 20.92703 217.0867       99.93393 214.7308       104.8764 240.3300       329.4155 80.10535 21.76280 89.73930 37.49170 -9.633942      43.35028 
1 1 1 0   21 40 o 302.0784 7.671665 2716.101       135.8026 2744.815       147.6682 2558.665       345.7774 303.2831 8.309938 279.7943 21.23054 23.48886       22.79893 
1 1 1 0   21 41 o 52.45343 23.17702 -2.544285      140.0643 16.31852       153.1002 -99.37372      346.8777 56.08725 24.52434 70.48795 33.08663 -14.40070      41.18456 
1 1 1 0   21 42 o 86.83994 21.39466 258.5918       108.2412 266.0146       114.6564 197.7727       328.1973 87.63049 22.26751 82.85284 36.07268 4.777649       42.39199 
1 1 1 0   21 43 o 63.34283 22.86160 128.3743       108.7746 80.45686       114.7123 555.6200       342.5327 56.96196 22.74835 107.2527 40.24353 -50.29074      46.22801 
1 1 1 0   21 44 o 78.09358 22.91337 216.3787       111.7657 226.6915       116.8385 105.2897       383.4703 79.64307 23.44364 78.38555 36.10122 1.257523       43.04535 
1 1 1 0   21 45 o 127.1431 17.16821 528.8161       124.7488 493.8358       131.3250 852.0785       399.2209 121.4010 19.07303 123.2082 43.87709 -1.807220      47.84328 
1 1 1 0   21 46 o 41.73777 19.73730 -101.8421      127.6237 -94.24304      134.5348 -170.1563      403.3749 43.49437 20.47518 68.15564 32.97624 -24.66127      38.81579 
1 1 1 0   22 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   22 1  o 854.6124 12.22740 21474.43       612.8494 20948.22       720.8193 22846.93       1164.139 843.6036 14.56926 878.3784 22.61695 -34.77478      26.90334 
1 1 1 0   22 2  o 648.8494 12.05489 12378.04       458.7307 12147.37       615.0144 12667.30       688.7088 641.8619 16.35110 655.1000 17.94266 -13.23804      24.27545 
1 1 1 0   22 3  o 322.7670 7.463492 3058.061       141.2803 3199.857       161.0016 2583.293       294.6039 330.0192 8.325059 295.5286 17.07027 34.49060       18.99212 
1 1 1 0   22 4  o 208.0244 8.288348 1272.624       100.9166 1271.956       110.5844 1275.952       246.7954 207.9090 9.091197 206.7636 20.62720 1.145355       22.54177 
1 1 1 0   22 5  o 471.2026 7.825489 6518.609       216.2567 6768.188       265.9729 6031.758       371.4764 480.0072 9.447986 452.4543 14.01619 27.55292       16.90320 
1 1 1 0   22 6  o 691.6878 10.11335 14058.53       410.2567 14062.02       497.0516 14051.08       726.6623 691.4384 12.25738 689.7357 17.97918 1.702698       21.75992 
1 1 1 0   22 7  o 424.5946 7.324756 5292.507       182.3972 5184.087       211.3638 5608.747       360.9802 420.1347 8.578110 436.1986 14.12934 -16.06390      16.52944 
1 1 1 0   22 8  o 381.7930 7.055046 4279.137       157.9714 4307.801       185.4990 4203.484       301.3635 382.9913 8.258519 377.5911 13.63112 5.400269       15.93771 
1 1 1 0   22 9  o 422.2007 9.225566 5237.477       228.4349 5494.553       319.1078 4967.273       327.1538 431.8837 12.61205 410.4641 13.60903 21.41962       18.55450 
1 1 1 0   22 10 o 555.6037 7.868969 9066.076       256.4091 8840.908       325.8043 9432.480       415.6087 548.3836 10.13029 566.0536 12.51920 -17.67004      16.10444 
1 1 1 0   22 11 o 242.7298 9.815863 1734.942       139.4458 1738.527       167.3054 1726.784       252.3680 242.7574 11.78656 240.9754 17.98685 1.782013       21.50465 
1 1 1 0   22 12 o 212.6042 7.373723 1329.110       91.80183 1190.637       112.0213 1612.278       160.1917 201.0162 9.529220 233.7311 11.72362 -32.71490      15.10792 
1 1 1 0   22 13 o 583.2067 11.99284 10018.31       410.1994 9475.671       481.6981 11450.13       782.4623 566.4280 14.51234 620.0797 21.54894 -53.65161      25.98009 
1 1 1 0   22 14 f 280.0964 7.525344 2306.581       123.5068 2270.026       142.6865 2415.798       246.6346 277.7363 8.770906 285.6110 14.77431 -7.874695      17.18165 
1 1 1 0   22 15 o 87.73308 20.52809 238.1337       103.7386 133.1788       121.7742 515.8378       198.0819 70.04518 24.28940 128.6575 27.10858 -58.61235      36.39849 
1 1 1 0   22 16 f 74.39730 21.17719 169.2739       96.81857 289.5622       114.6727 -129.3404      180.6773 96.77629 20.82209 53.98377 24.83280 42.79252       32.40721 
1 1 1 0   22 17 o 63.81401 17.61952 124.6193       68.10837 5.320646       128.5732 171.1533       80.30039 54.39497 23.11034 74.43244 18.48054 -20.03747      29.59085 
1 1 1 0   22 18 o 414.7202 7.883865 5057.216       191.7542 5076.358       294.6618 5043.155       252.5463 414.5612 12.13255 413.5950 10.41984 0.9662170      15.99287 
1 1 1 0   22 19 o 528.5013 8.912516 8221.057       276.2466 8136.169       428.8930 8281.239       361.1312 524.1719 13.96406 529.7436 11.62382 -5.571716      18.16888 
1 1 1 0   22 20 o 123.9836 9.513620 455.3763       68.64832 546.8641       141.1793 427.0469       78.56114 134.2720 18.41254 119.7814 11.31743 14.49062       21.61264 
1 1 1 0   22 21 o 129.7135 9.324352 498.0744       70.46073 399.0918       132.9125 536.7658       83.09860 113.7845 20.67885 134.5019 10.62065 -20.71740      23.24679 
1 1 1 0   22 22 o 132.5604 9.051440 519.8089       69.94691 721.5077       144.6260 458.2250       79.91495 155.0326 16.14258 124.1326 11.09402 30.89998       19.58724 
1 1 1 0   22 23 f 211.4305 7.872891 1316.761       97.45254 1312.579       153.2248 1319.602       126.2861 210.3842 12.47440 211.3353 10.21932 -0.9511719     16.12591 
1 1 1 0   22 24 o 173.7977 7.992098 890.4305       81.24399 832.8123       84.54521 1585.313       293.6058 167.9956 8.609768 228.7318 22.16452 -60.73618      23.77802 
1 1 1 0   22 25 o 291.2185 7.077581 2493.241       120.8800 2414.000       129.3037 3042.656       340.4737 286.3832 7.705623 318.9217 18.27982 -32.53848      19.83755 
1 1 1 0   22 26 o 386.4454 7.185790 4391.323       162.8595 4545.711       182.3202 3781.738       362.2813 393.0654 7.908962 355.8357 17.41272 37.22977       19.12471 
1 1 1 0   22 27 o 234.4457 7.375220 1618.495       101.2808 1585.630       106.3886 1936.320       330.8402 231.9893 7.830686 252.3045 22.59754 -20.31525      23.91586 
1 1 1 0   22 28 o 141.8294 11.04281 597.9646       91.13023 647.9894       96.59475 192.9826       274.8393 147.6417 11.24010 91.81513 35.65147 55.82658       37.38138 
1 1 1 0   22 29 o 300.8518 7.359754 2664.545       129.8573 2708.825       139.9633 2390.711       348.0601 303.1541 7.878950 280.2253 21.33902 22.92886       22.74713 
1 1 1 0   22 30 o 79.77461 18.97778 199.3074       87.49191 231.6678       91.33989 -160.6677      304.6422 86.14409 18.62298 70.73997 32.43165 15.40411       37.39822 
1 1 1 0   22 31 o 201.0632 8.745957 1195.354       102.8846 1214.706       109.0065 1037.429       311.3899 202.5988 9.198122 179.0970 30.75344 23.50180       32.09952 
1 1 1 0   22 32 o 399.9560 7.536827 4715.590       176.7874 4731.593       195.5909 4644.162       413.2263 400.4010 8.329196 391.6975 18.03657 8.703430       19.86689 
1 1 1 0   22 33 o 249.7806 8.029108 1843.917       117.4659 1817.948       124.5665 2052.425       352.9642 247.8759 8.581673 256.0795 23.77348 -8.203644      25.27496 
1 1 1 0   22 34 o 81.38395 18.94032 210.5244       88.69933 204.4386       93.26412 268.1678       287.0333 80.00025 19.94752 95.69131 36.62289 -15.69106      41.70299 
1 1 1 0   22 35 o 33.86980 16.04909 -94.86747      85.19817 -78.66836      88.99614 -272.6001      294.7876 36.17701 16.90941 62.04449 29.52968 -25.86749      34.02837 
1 1 1 0   22 36 o 120.1834 13.98681 443.2017       96.74573 422.0936       100.8759 685.2543       341.6000 116.8403 15.07198 132.0811 40.36784 -15.24084      43.08976 
1 1 1 0   22 37 o 261.7497 7.946345 2035.406       121.8431 1990.847       129.3197 2387.678       363.6096 258.6077 8.538244 271.0207 23.09596 -12.41293      24.62367 
1 1 1 0   22 38 o 103.4783 17.15459 340.4821       100.4629 301.0890       105.6519 712.2227       324.5538 96.18150 19.40004 132.6354 39.08097 -36.45394      43.63122 
1 1 1 0   22 39 o 52.00676 21.07257 51.56229       99.97681 72.73424       104.9230 -157.2455      329.5063 55.67603 21.90794 67.68024 31.91696 -12.00422      38.71241 
1 1 1 0   22 40 o 146.3718 13.42346 661.9342       113.9499 740.3598       122.3301 147.6463       313.2619 154.7457 13.61798 80.66861 35.18013 74.07709       37.72388 
1 1 1 0   22 41 o 46.54064 20.18046 7.650158       101.8508 20.98435       106.0294 -151.5878      366.4091 48.80970 20.86956 69.52613 33.04246 -20.71643      39.08123 
1 1 1 0   22 42 o 73.17391 25.99032 184.7648       139.9899 250.5603       152.2101 -176.3394      356.5838 82.65320 27.15821 66.91933 32.02202 15.73387       41.98783 
1 1 1 0   22 43 o 175.7936 11.76090 950.0596       120.5560 976.6328       128.6452 758.4756       345.4234 177.7793 12.41654 124.3193 40.91566 53.46004       42.75817 
1 1 1 0   22 44 o 106.2190 19.83711 382.5665       119.0319 386.6159       124.3443 338.1908       411.6260 106.1592 20.71578 89.17182 39.55019 16.98740       44.64707 
1 1 1 0   22 45 o 51.40010 22.48137 19.41764       128.7367 72.84004       134.0545 -614.1334      461.6476 57.53682 23.96809 61.82777 30.88918 -4.290947      39.09746 
1 1 1 0   22 46 o 61.00793 24.29501 108.3186       130.4728 90.75208       137.1259 276.2821       424.0180 59.53259 24.46672 84.12225 38.45204 -24.58966      45.57608 
1 1 1 0   23 1  o 412.7570 7.563006 5002.027       183.0793 4981.384       211.8040 5063.029       364.0922 411.8167 8.769599 414.2471 15.01136 -2.430389      17.38525 
1 1 1 0   23 2  o 621.5265 11.65747 11361.27       424.9272 11153.49       568.0292 11625.31       640.3204 614.8646 15.76518 627.3268 17.42102 -12.46222      23.49538 
1 1 1 0   23 3  o 374.3885 7.314405 4115.104       160.6024 4151.115       185.6465 4007.991       320.1782 375.9505 8.419874 368.5085 14.84511 7.442047       17.06668 
1 1 1 0   23 4  o 111.5981 12.75215 371.2694       81.96584 379.7257       87.72419 313.1272       230.0250 112.7633 13.53500 103.2891 33.34832 9.474213       35.99037 
1 1 1 0   23 5  o 185.3686 8.148129 1011.110       88.36539 1001.026       97.06334 1059.928       213.5703 184.3693 9.003916 188.2850 19.62871 -3.915665      21.59529 
1 1 1 0   23 6  o 364.1787 6.960668 3893.653       148.6675 3934.697       173.8044 3781.740       286.9954 366.0177 8.096702 358.0494 13.69249 7.968292       15.90726 
1 1 1 0   23 7  o 510.7950 8.115675 7663.625       243.1206 7737.419       292.5314 7498.822       437.1617 513.0634 9.721895 504.0882 14.80320 8.975250       17.71017 
1 1 1 0   23 8  o 339.2574 6.771666 3379.142       134.7334 3378.185       155.8363 3381.975       268.1316 339.1397 7.835009 338.5191 13.53288 0.6205750      15.63734 
1 1 1 0   23 9  o 140.1795 9.384418 580.2092       76.70673 590.9594       84.10574 527.0483       187.0305 141.3895 10.21160 130.7783 25.30010 10.61127       27.28318 
1 1 1 0   23 10 o 534.2235 11.48399 8401.631       359.8043 8302.131       432.6097 8624.904       648.0441 530.3867 13.91966 538.5899 20.55387 -8.203247      24.82375 
1 1 1 0   23 11 o 212.7209 7.003653 1330.397       87.25549 1340.651       103.1898 1304.673       163.4474 213.4309 8.259417 209.9246 13.34499 3.506302       15.69416 
1 1 1 0   23 12 o 61.14679 22.32766 91.02821       104.1611 -95.10836      128.0576 454.9536       179.0588 45.40368 20.89332 120.9730 26.01172 -75.56934      33.36377 
1 1 1 0   23 13 f 409.7198 8.841303 4936.403       212.4485 4936.403       212.4485 0.000000       0.000000 409.7198 8.841303 ?        ?        0.000000       8.841303 
1 1 1 0   23 14 o 301.3480 6.754664 2667.529       119.3775 2726.849       155.7786 2583.127       185.8163 304.3791 8.735584 295.9619 10.72299 8.417175       13.83087 
1 1 1 0   23 15 o 321.1937 8.990946 3037.400       169.1981 3165.383       217.5454 2841.451       269.1830 327.5105 11.34306 309.5638 14.87027 17.94669       18.70267 
1 1 1 0   23 16 o 314.2339 7.623592 2902.691       140.4958 3064.622       223.7809 2797.336       180.5040 322.1001 11.86656 308.0437 10.00461 14.05637       15.52120 
1 1 1 0   23 17 o 202.6434 8.105915 1209.686       96.14082 1003.362       152.8286 1344.809       123.6787 183.5812 14.30760 213.4469 9.906968 -29.86566      17.40274 
1 1 1 0   23 18 o 71.58860 15.48282 157.7514       63.11021 199.9013       118.9604 141.2420       74.45086 80.69720 23.62898 67.72878 18.30923 12.96842       29.89241 
1 1 1 0   23 19 o 98.99578 11.60838 293.1759       66.11795 287.2056       124.9115 295.4998       77.93038 95.90259 22.58427 98.99562 13.79706 -3.093033      26.46523 
1 1 1 0   23 20 o 356.9644 7.854856 3748.215       164.4423 4130.005       276.1114 3538.360       204.7067 373.5774 12.62052 346.3331 10.08906 27.24432       16.15756 
1 1 1 0   23 21 o 106.8985 10.71309 340.3592       66.25984 544.3810       156.1752 295.5734       73.17183 133.3585 20.63397 99.17068 12.88522 34.18783       24.32672 
1 1 1 0   23 22 o 235.3120 7.955410 1630.730       109.6307 1647.591       180.5995 1620.892       137.9570 235.6610 13.11885 234.2978 10.06326 1.363174       16.53401 
1 1 1 0   23 23 o 120.9097 20.68289 449.3303       141.3959 538.6896       166.2361 215.5392       268.8865 132.2469 22.22051 94.15067 35.58429 38.09627       41.95227 
1 1 1 0   23 24 o 93.48633 13.44695 263.7851       71.60793 263.7851       71.60793 0.000000       0.000000 93.48633 13.44695 ?        ?        0.000000       13.44695 
1 1 1 0   23 25 o 273.3317 7.302253 2198.633       116.9521 2236.452       125.0826 1935.767       329.7683 275.6128 7.746006 252.5951 22.49553 23.01762       23.79179 
1 1 1 0   23 26 o 82.77069 16.19274 210.7602       75.78803 205.7156       78.34702 284.2215       298.9771 81.61960 16.92324 102.3879 37.75439 -20.76833      41.37379 
1 1 1 0   23 27 o 51.39663 19.15597 61.44286       77.34496 52.52751       80.08114 185.2605       298.4368 50.36108 19.32657 93.30614 36.87593 -42.94506      41.63353 
1 1 1 0   23 28 o 47.68398 19.32181 30.75920       84.05819 46.60123       87.50952 -158.2785      302.2902 50.80217 20.00223 70.81207 32.40528 -20.00990      38.08138 
1 1 1 0   23 29 o 177.4770 9.433480 932.6569       97.83669 931.7331       102.4763 942.1716       328.8731 177.3033 9.894233 169.1764 34.32143 8.126953       35.71913 
1 1 1 0   23 30 o 128.5347 12.25148 494.8513       91.23901 466.1343       95.04258 832.2453       325.7751 124.4985 13.21856 157.4215 36.06219 -32.92305      38.40849 
1 1 1 0   23 31 o 311.4825 7.493242 2859.694       136.8844 2915.470       147.4329 2511.228       368.5110 314.2917 8.005058 285.5223 22.18082 28.76944       23.58113 
1 1 1 0   23 32 o 201.2460 8.989818 1199.922       105.8354 1184.311       112.2788 1324.349       316.9792 199.7837 9.610877 203.4259 27.25400 -3.642181      28.89895 
1 1 1 0   23 33 o 118.9738 13.65083 429.6125       93.52584 438.3942       97.28153 322.4227       339.8753 120.0706 14.08205 103.2957 39.77022 16.77486       42.18974 
1 1 1 0   23 34 o 103.7834 15.41520 333.0385       90.98105 312.3180       94.57834 589.9854       333.0531 100.0004 16.71606 125.6429 40.08492 -25.64247      43.43071 
1 1 1 0   23 35 o 150.2507 10.81551 678.4094       94.66691 654.1466       98.37893 981.8447       347.9084 147.3013 11.47849 162.5957 37.28115 -15.29442      39.00821 
1 1 1 0   23 36 o 69.11045 21.23099 154.1310       94.33648 169.3264       98.43591 -16.99076      330.3307 72.08419 21.59365 76.07858 34.44696 -3.994385      40.65561 
1 1 1 0   23 37 o 220.3762 8.990356 1450.004       115.9523 1426.342       122.8575 1642.931       350.8054 218.2858 9.620416 218.8834 27.96561 -0.5975494     29.57410 
1 1 1 0   23 38 f 229.8247 9.140561 1580.725       122.9569 1548.385       130.6450 1831.487       363.7985 227.0993 9.832335 230.0469 27.50931 -2.947540      29.21364 
1 1 1 0   23 39 o 190.3203 10.39197 1094.076       115.5533 1086.206       123.2499 1151.255       332.2016 189.2141 11.15614 173.5351 33.85712 15.67908       35.64778 
1 1 1 0   23 40 f 71.73885 22.56496 174.6226       105.8707 202.7928       110.6426 -130.9896      364.4286 76.73650 22.87120 70.34273 33.29052 6.393768       40.38998 
1 1 1 0   23 41 o 108.5571 16.99513 381.3354       104.6543 377.5917       109.0954 424.5285       370.5656 107.4585 17.94297 97.64419 40.18479 9.814270       44.00872 
1 1 1 0   23 42 f 151.6056 12.85215 713.3574       113.1967 702.4631       119.0538 815.9739       365.3884 149.8845 13.69481 127.8164 42.08220 22.06812       44.25448 
1 1 1 0   23 43 o 188.6105 11.12330 1089.022       122.4948 1156.357       130.4633 587.7727       355.9539 194.0822 11.51352 107.2415 40.84673 86.84068       42.43839 
1 1 1 0   23 44 o 165.7883 13.40478 861.3824       129.2253 771.7846       134.0640 2035.823       485.3767 155.7526 14.85640 209.2447 41.01946 -53.49214      43.62693 
1 1 1 0   23 45 o 109.7676 21.61059 421.2438       134.1663 437.2498       138.8570 196.2701       520.5850 111.5572 22.00569 83.62631 39.63944 27.93092       45.33802 
1 1 1 0   24 0  o 42.73440 19.29418 -55.55452      102.7636 4.887485       116.0372 -275.3303      221.2676 52.09793 22.03671 54.11071 25.70503 -2.012772      33.85802 
1 1 1 0   24 1  o 366.4668 7.325465 3943.623       157.4419 3992.501       181.5799 3795.566       316.0267 368.6501 8.398523 358.4050 15.06847 10.24509       17.25092 
1 1 1 0   24 2  o 332.1777 7.231470 3240.092       140.8794 3302.725       161.0766 3036.262       290.5777 335.3079 8.191025 320.4020 15.50988 14.90591       17.53994 
1 1 1 0   24 3  o 282.9734 9.014694 2355.537       149.4145 2427.012       185.7381 2224.465       251.5232 287.0121 11.05511 274.0817 15.71345 12.93045       19.21270 
1 1 1 0   24 4  o 52.30925 19.06431 66.01448       75.88586 65.91077       81.34526 66.71022       210.6938 53.26987 19.68418 74.58410 30.45284 -21.31423      36.26075 
1 1 1 0   24 5  o 387.3789 7.146072 4406.722       162.3506 4503.688       192.0635 4164.023       303.8580 391.5138 8.364640 375.5736 13.81867 15.94016       16.15311 
1 1 1 0   24 6  o 330.7143 8.632082 3216.325       167.2814 3491.282       229.8382 2906.609       243.9338 344.2137 11.40101 313.7539 13.28668 30.45972       17.50768 
1 1 1 0   24 7  o 374.8165 8.117563 4127.842       178.4411 4127.842       178.4411 0.000000       0.000000 374.8165 8.117563 ?        ?        0.000000       8.117563 
1 1 1 0   24 8  o 400.2283 7.115276 4704.692       167.0129 4639.462       193.7170 4893.573       329.6386 397.3281 8.313192 407.0501 13.82836 -9.721985      16.13483 
1 1 1 0   24 9  o 470.1586 7.709727 6494.798       212.5856 6541.972       253.7875 6383.848       389.2054 471.6697 9.174485 464.7956 14.29496 6.874084       16.98579 
1 1 1 0   24 10 o 98.51668 12.95466 291.1029       73.03706 219.7750       82.26616 556.5674       158.7065 84.64850 17.15926 135.2880 20.65633 -50.63950      26.85375 
1 1 1 0   24 11 o 340.1867 9.254026 3406.715       184.4570 3279.754       213.7313 3777.296       365.1534 333.5250 10.94151 356.4879 17.51912 -22.96286      20.65518 
1 1 1 0   24 12 o 344.8570 9.414062 3501.820       190.2217 3382.149       226.0858 3791.845       351.9625 338.5812 11.40197 357.2709 16.84507 -18.68973      20.34113 
1 1 1 0   24 13 o 471.5486 9.423772 6543.783       260.6164 6543.783       260.6164 0.000000       0.000000 471.5486 9.423772 ?        ?        0.000000       9.423772 
1 1 1 0   24 14 o 86.42120 19.29171 230.9973       95.29925 260.5771       105.8824 104.8227       218.6815 91.73933 20.22489 78.66138 31.41060 13.07795       37.35869 
1 1 1 0   24 15 o 233.1614 7.047890 1599.184       96.26476 1586.494       125.3250 1617.447       150.3421 231.9732 9.230330 233.9685 10.98722 -1.995285      14.34984 
1 1 1 0   24 16 o 463.7301 9.894497 6335.229       269.0974 6683.164       381.3666 5990.218       379.7610 475.0964 13.70138 449.5357 14.42308 25.56073       19.89355 
1 1 1 0   24 17 o 179.4026 8.025987 948.6447       84.23193 1100.834       122.9129 813.8835       115.6614 192.8902 10.90965 165.5927 11.99081 27.29756       16.21111 
1 1 1 0   24 18 f 243.1817 7.551652 1740.791       107.5714 1762.649       168.0155 1725.606       140.0360 244.0416 11.77384 241.7860 9.896391 2.255661       15.38057 
1 1 1 0   24 19 o 318.8268 7.506350 2989.346       140.3570 3028.167       214.9942 2960.511       185.2910 320.0776 11.47160 316.7816 9.985888 3.296021       15.20906 
1 1 1 0   24 20 o 192.0253 8.551547 1087.418       96.06451 1194.595       173.8301 1040.293       115.2649 200.1738 14.91419 187.5345 10.52230 12.63921       18.25245 
1 1 1 0   24 21 o 238.6341 8.397656 1677.857       117.3448 1506.612       196.9039 1772.172       146.1290 224.9129 15.01355 244.9862 10.19281 -20.07330      18.14663 
1 1 1 0   24 22 o 246.2849 8.201114 1786.632       118.2919 1702.664       199.2403 1832.344       147.0057 239.3359 14.25910 249.1377 10.08189 -9.801834      17.46329 
1 1 1 0   24 23 o 239.8758 8.259891 1695.231       116.0280 2077.898       210.2295 1527.610       139.1385 264.5983 13.59297 227.3642 10.46262 37.23412       17.15329 
1 1 1 0   24 24 o 356.1585 7.392262 3730.784       154.4085 3896.559       176.1929 3181.986       320.5788 363.8515 8.256836 326.4959 16.79845 37.35559       18.71799 
1 1 1 0   24 25 o 199.3243 7.788183 1170.998       90.86785 1156.380       95.09035 1324.714       308.3575 198.0188 8.205812 207.0286 25.96614 -9.009796      27.23189 
1 1 1 0   24 26 o 337.2612 7.226758 3346.680       142.9422 3362.622       155.1755 3257.363       367.2975 337.9650 7.828900 328.9167 19.12311 9.048370       20.66362 
1 1 1 0   24 27 o 195.4626 8.172091 1127.689       93.47343 1178.444       98.93309 705.5292       285.3231 199.7737 8.463263 146.5569 33.87428 53.21678       34.91552 
1 1 1 0   24 28 o 117.9868 12.51864 417.6841       85.30425 404.9047       88.66441 576.7659       312.8272 115.9840 13.27348 130.9402 38.31096 -14.95613      40.54522 
1 1 1 0   24 29 o 217.4458 8.075381 1396.017       102.8038 1392.347       108.3262 1429.282       326.1402 217.0748 8.525486 213.1276 26.67500 3.947205       28.00428 
1 1 1 0   24 30 o 98.12504 15.66200 295.2989       87.10334 319.5779       90.60994 -0.2951353     316.1606 102.1753 15.61595 80.40659 35.19810 21.76868       38.50668 
1 1 1 0   24 31 o 279.9665 7.458761 2313.212       122.3591 2256.858       129.4046 2788.868       375.9528 276.4021 7.991237 300.6894 21.45996 -24.28726      22.89956 
1 1 1 0   24 32 o 98.43846 15.79134 299.1798       88.08472 331.6447       91.62600 -96.62673      319.9284 103.8321 15.52223 74.17418 33.70944 29.65793       37.11153 
1 1 1 0   24 33 o 40.82637 17.93614 -14.75893      82.76235 -15.54107      85.68541 -3.878495      319.5864 41.47654 18.23500 77.97884 34.70211 -36.50230      39.20143 
1 1 1 0   24 34 o 88.70857 17.99152 250.7631       90.39608 218.2183       93.89012 663.7727       334.4716 82.11233 19.74097 131.0760 39.92160 -48.96371      44.53583 
1 1 1 0   24 35 o 38.26402 17.59593 -56.84052      90.61222 -11.23239      94.11469 -635.6180      335.2680 43.64687 19.15253 54.97348 27.27609 -11.32662      33.32873 
1 1 1 0   24 36 o 58.22939 21.56475 92.78549       97.72706 128.2762       101.9606 -308.1671      342.7059 64.55435 22.23317 64.66483 31.06152 -0.1104736     38.19859 
1 1 1 0   24 37 o 117.8079 15.45989 434.5816       104.2396 476.1003       109.4150 26.58766       342.9902 123.3807 15.45938 77.70621 35.15052 45.67445       38.39989 
1 1 1 0   24 38 o 133.0027 13.65138 547.5333       104.9750 550.9805       110.9917 518.2991       323.2242 133.0063 14.46131 109.9327 39.44279 23.07355       42.01028 
1 1 1 0   24 39 o 192.4935 9.999145 1118.118       112.4963 1091.186       118.5479 1361.888       356.6540 189.7710 10.69485 188.5775 33.47432 1.193512       35.14128 
1 1 1 0   24 40 o 177.3418 11.60063 961.5320       119.9921 970.2386       126.0071 876.8133       393.0615 177.7917 12.15779 133.1815 43.63604 44.61026       45.29807 
1 1 1 0   24 41 o 84.07175 21.29296 244.3635       105.0834 274.3151       109.3236 -119.4369      381.0092 89.22177 21.20634 70.38015 33.51802 18.84162       39.66316 
1 1 1 0   24 42 o 47.68820 20.80788 9.534601       109.7105 41.16982       114.6664 -332.8916      377.2545 51.92913 21.93280 62.90803 30.76110 -10.97890      37.77953 
1 1 1 0   24 43 o 55.22330 22.50097 71.08781       114.7372 106.6581       120.3726 -282.3435      379.4343 60.40473 23.55469 63.77510 31.11230 -3.370365      39.02305 
1 1 1 0   24 44 o 36.54276 17.84516 -189.8373      125.7356 -151.4633      130.1273 -729.7381      488.0977 39.33572 18.95719 61.45912 30.85626 -22.12340      36.21441 
1 1 1 0   25 1  o 502.7022 8.267593 7426.276       243.7477 7409.979       285.7477 7469.814       467.0540 501.9475 9.706753 502.4908 15.86841 -0.5432739     18.60181 
1 1 1 0   25 2  o 86.00976 17.81911 227.0536       86.92655 196.2450       92.45394 461.8448       255.2292 79.76117 19.84503 121.5293 34.31332 -41.76810      39.63873 
1 1 1 0   25 3  o 168.0062 9.533947 832.7582       93.55401 782.2678       99.93616 1190.613       266.0554 162.7045 10.52958 198.4914 23.29791 -35.78688      25.56686 
1 1 1 0   25 4  o 537.0098 10.58875 8487.438       333.4861 8747.244       464.4745 8211.003       479.1068 544.0884 14.56911 526.8636 15.52235 17.22485       21.28855 
1 1 1 0   25 5  o 478.2083 7.953230 6720.098       223.0546 6835.406       264.9432 6439.446       413.3395 482.0954 9.370642 466.5857 15.12513 15.50977       17.79266 
1 1 1 0   25 6  f 159.3788 8.806512 749.1292       81.99618 727.9151       88.76032 872.6165       214.1497 157.0041 9.686731 169.7420 22.03111 -12.73788      24.06662 
1 1 1 0   25 7  o 291.3800 6.853604 2493.833       117.1195 2487.540       132.7640 2515.913       248.6909 290.8375 7.790597 291.4499 14.59587 -0.6123352     16.54487 
1 1 1 0   25 8  o 319.0645 6.968248 2990.584       130.3925 3159.412       152.2735 2526.486       252.4682 327.8613 7.919240 291.9838 14.79158 35.87750       16.77812 
1 1 1 0   25 9  o 121.3403 11.48975 437.7449       80.79074 411.3970       86.40559 620.9364       227.8354 117.4049 12.75355 140.9863 28.53510 -23.58138      31.25547 
1 1 1 0   25 10 o 237.6196 11.05852 1667.289       153.6871 1667.289       153.6871 0.000000       0.000000 237.6196 11.05852 ?        ?        0.000000       11.05852 
1 1 1 0   25 11 o 117.8003 11.50071 412.9695       78.44428 403.7807       90.36234 441.0746       158.0343 116.1421 13.51861 119.3507 23.41426 -3.208572      27.03665 
1 1 1 0   25 12 o 395.9040 6.692549 4605.093       155.3932 4502.518       192.8937 4794.733       262.2786 391.2521 8.406415 403.1428 11.10369 -11.89066      13.92694 
1 1 1 0   25 13 o 196.2827 8.631766 1135.748       99.12176 1208.081       110.6443 841.7181       223.0774 202.3581 9.348310 165.8098 23.60609 36.54834       25.38973 
1 1 1 0   25 14 o 293.1126 7.326014 2525.774       125.9368 2584.875       143.9988 2333.517       259.7160 296.3012 8.294734 279.9900 15.88145 16.31119       17.91711 
1 1 1 0   25 15 o 236.2035 7.276454 1641.811       100.6789 1608.863       130.1677 1690.871       158.8368 233.5253 9.524260 239.1124 11.35905 -5.587097      14.82362 
1 1 1 0   25 16 o 96.36788 22.41555 289.9573       124.2893 293.9913       148.4706 280.5092       227.2187 96.81313 25.71667 97.79863 33.20286 -0.9854965     41.99735 
1 1 1 0   25 17 o 176.2375 8.439000 916.1586       86.97131 887.0519       120.2973 948.0320       125.8849 172.8975 11.93687 178.7437 12.07955 -5.846176      16.98247 
1 1 1 0   25 18 o 274.2899 6.867360 2212.862       110.3846 2363.865       150.5390 2037.248       162.3433 283.1850 9.075892 262.6242 10.56175 20.56076       13.92560 
1 1 1 0   25 19 o 107.4088 12.92833 345.9510       79.80347 250.5741       161.4973 376.7643       91.79372 90.42252 27.77889 111.8906 14.31595 -21.46807      31.25081 
1 1 1 0   25 20 o 140.4850 18.27788 597.7838       147.0265 595.2009       177.6262 603.4039       262.0200 139.0643 22.55085 137.1636 32.97940 1.900742       39.95225 
1 1 1 0   25 21 o 298.3418 11.13166 2630.000       194.4296 2462.805       236.3641 2979.870       341.9193 288.0403 14.03417 315.5221 18.55947 -27.48178      23.26826 
1 1 1 0   25 22 o 295.9646 8.182512 2579.569       141.8927 2664.729       227.7595 2525.551       181.3958 299.8575 12.98199 292.4265 10.59444 7.430939       16.75632 
1 1 1 0   25 23 o 133.2724 10.19528 526.8519       79.08250 415.3293       162.4817 561.4721       90.52897 114.9922 24.82116 137.4272 11.33282 -22.43501      27.28595 
1 1 1 0   25 24 o 199.2749 14.33535 1184.770       166.4177 1204.089       201.0096 1142.675       296.7174 200.1304 17.29547 191.5333 27.17697 8.597031       32.21368 
1 1 1 0   25 25 o 186.9473 8.070273 1031.122       88.27422 1027.747       91.90463 1071.317       317.2058 186.5904 8.420115 183.5909 30.53240 2.999481       31.67216 
1 1 1 0   25 26 o 236.1725 7.656827 1644.351       105.9142 1583.322       111.2781 2232.004       345.3035 231.6520 8.203692 270.3460 21.96777 -38.69397      23.44960 
1 1 1 0   25 27 o 222.2989 8.140892 1458.612       105.9560 1466.537       111.9704 1390.735       327.7022 222.8216 8.584373 210.2742 27.21053 12.54739       28.53252 
1 1 1 0   25 28 o 51.09127 19.34143 58.55552       79.51366 56.76065       82.02663 86.50992       323.7147 51.25018 19.58686 87.10950 36.82462 -35.85932      41.70968 
1 1 1 0   25 29 o 60.29922 20.26645 104.9889       84.65042 123.8687       88.39651 -103.7069      293.8956 64.29803 20.66518 71.79014 32.49983 -7.492104      38.51349 
1 1 1 0   25 30 f 136.5359 11.45179 557.7365       90.85617 539.8787       95.04743 746.9293       309.3702 134.1331 12.21633 147.4450 36.07661 -13.31194      38.08885 
1 1 1 0   25 31 o 100.4325 14.77020 309.2720       84.40209 318.4880       87.45947 184.3261       322.0299 101.8501 15.09831 91.77052 37.58030 10.07959       40.49985 
1 1 1 0   25 32 o 188.7948 8.698540 1058.530       96.05463 1080.411       100.6586 835.6052       321.2823 190.6480 9.028250 152.6938 36.39428 37.95421       37.49737 
1 1 1 0   25 33 o 150.8573 10.50593 682.5351       92.36956 711.9213       96.39668 352.7117       322.9472 154.0090 10.73978 101.8862 38.88272 52.12289       40.33868 
1 1 1 0   25 34 o 69.23218 20.41319 154.8141       88.52255 143.5349       91.81814 303.5308       333.4030 67.07391 21.00229 96.85045 38.74705 -29.77654      44.07301 
1 1 1 0   25 35 o 37.32269 17.41639 -76.32136      93.78473 -92.67088      97.43011 129.9812       346.0933 36.96821 17.40958 84.76637 36.97229 -47.79815      40.86617 
1 1 1 0   25 36 o 86.73309 20.70228 249.6211       103.8405 239.2236       108.8029 355.8699       347.8062 84.47515 21.81149 98.53182 39.52213 -14.05667      45.14133 
1 1 1 0   25 37 o 144.0885 12.90072 637.9508       107.8646 604.8566       114.0042 920.6189       333.1832 139.6543 14.11270 150.3799 37.82026 -10.72559      40.36756 
1 1 1 0   25 38 o 99.76305 18.34916 324.9028       103.4036 342.0916       109.0746 172.3777       324.9164 102.1222 18.90800 82.58566 35.92493 19.53651       40.59696 
1 1 1 0   25 39 o 46.72523 20.31716 6.261396       103.8316 -15.48713      108.2968 253.8013       365.3621 45.37987 20.19753 87.81597 38.14876 -42.43610      43.16559 
1 1 1 0   25 40 o 139.4284 13.52566 606.3256       109.2135 605.0435       113.7325 621.5045       391.3273 138.8884 14.16053 110.2049 42.60961 28.68355       44.90099 
1 1 1 0   25 41 o 117.4234 16.23963 444.6879       108.8453 454.0466       112.8332 319.2668       413.0598 118.3590 16.72006 89.37558 39.63093 28.98343       43.01361 
1 1 1 0   25 42 o 108.2285 18.15269 388.7277       111.1455 384.6499       115.5312 439.3988       407.2585 106.9960 19.11259 94.45416 40.65194 12.54179       44.92073 
1 1 1 0   25 43 f 66.85525 23.91416 153.4749       118.7204 127.9923       122.5519 542.0001       478.5284 63.30260 24.00104 97.16653 42.89100 -33.86393      49.14965 
1 1 1 0   25 44 o 163.5704 16.02741 865.1284       151.7798 871.6677       159.2615 800.3922       501.0895 163.3992 16.86107 107.7120 45.68747 55.68713       48.69949 
1 1 1 0   26 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   26 1  o 375.8383 7.619879 4150.995       167.9576 4178.644       190.9438 4056.454       353.0884 376.9731 8.636638 369.7686 16.32203 7.204468       18.46619 
1 1 1 0   26 2  o 82.35355 21.50471 209.6905       104.9705 200.4712       134.5199 224.0452       167.8553 81.78796 25.39218 87.40468 28.50805 -5.616722      38.17685 
1 1 1 0   26 3  o 234.4805 7.914861 1617.869       108.6870 1653.984       119.1973 1439.750       264.7149 237.0136 8.589375 218.8577 20.87630 18.15591       22.57426 
1 1 1 0   26 4  o 296.6967 7.303009 2586.578       127.0765 2652.798       141.2118 2304.603       291.3951 300.3013 8.025141 278.0834 17.96331 22.21786       19.67443 
1 1 1 0   26 5  o 380.2531 7.462941 4249.140       166.4306 4402.143       191.4456 3775.732       336.7538 386.9230 8.436655 356.6841 16.14005 30.23886       18.21204 
1 1 1 0   26 6  o 259.5494 7.476065 1981.423       113.6818 2055.973       126.0526 1656.561       263.1351 264.3174 8.141295 235.2134 19.24313 29.10400       20.89447 
1 1 1 0   26 7  o 365.7990 7.129520 3931.891       152.9514 3948.002       177.8280 3886.087       299.8392 366.4167 8.275123 362.3003 14.13851 4.116394       16.38216 
1 1 1 0   26 8  o 85.07156 17.05657 222.2374       82.13430 247.4896       88.91955 75.46365       214.3741 89.80431 17.51228 75.39215 30.74226 14.41216       35.38031 
1 1 1 0   26 9  o 535.3593 8.454988 8430.366       265.4659 8497.433       318.9366 8279.116       478.9601 537.1269 10.12458 528.4144 15.47184 8.712463       18.49013 
1 1 1 0   26 10 o 131.0167 11.16427 509.7704       84.96783 434.6610       91.25515 999.1830       232.9420 120.5911 13.11398 181.2892 22.38405 -60.69810      25.94267 
1 1 1 0   26 11 o 357.5253 6.638946 3756.015       139.2055 3746.827       169.8326 3774.826       243.0069 356.9068 8.113642 357.4805 11.60624 -0.5736694     14.16108 
1 1 1 0   26 12 o 58.88964 19.34757 99.48116       77.25009 114.1007       89.47945 56.69373       153.0785 63.07951 20.82746 64.23701 26.05791 -1.157501      33.35863 
1 1 1 0   26 13 o 55.59393 19.09389 84.56961       75.18368 20.85616       87.54832 263.5576       146.7386 47.26722 19.50048 92.00562 26.03162 -44.73840      32.52559 
1 1 1 0   26 14 o 230.7637 7.277696 1567.272       98.37135 1456.849       119.1996 1803.071       174.1873 222.2355 9.165240 246.7726 12.07227 -24.53711      15.15722 
1 1 1 0   26 15 o 288.1638 7.800231 2444.323       131.7036 2471.327       148.6627 2345.811       283.9464 289.6081 8.762753 280.1794 17.36559 9.428741       19.45121 
1 1 1 0   26 16 f 328.3562 6.947996 3169.448       133.7997 3187.296       170.7124 3141.022       215.4419 328.9081 8.858000 326.0313 11.28433 2.876831       14.34574 
1 1 1 0   26 17 o 227.9782 7.528288 1530.127       100.5181 1419.043       127.7621 1710.595       162.8456 219.2058 9.964068 240.4326 11.58275 -21.22682      15.27883 
1 1 1 0   26 18 o 324.9984 7.326914 3105.694       139.6538 3282.314       192.1846 2908.086       203.2830 333.6082 9.833445 313.7552 11.06471 19.85297       14.80285 
1 1 1 0   26 19 o 402.3783 7.510437 4761.265       177.2353 4764.410       235.8561 4757.185       268.6263 402.0705 10.00217 401.2998 11.42540 0.7706909      15.18496 
1 1 1 0   26 20 o 191.6288 15.13150 1096.037       168.6774 1006.233       202.5191 1299.438       304.7862 182.5681 19.20142 205.5566 25.85258 -22.98845      32.20327 
1 1 1 0   26 21 o 257.6422 8.228086 1955.544       124.1678 2089.364       206.0677 1879.260       155.5842 265.3525 13.28371 252.1852 10.54276 13.16731       16.95897 
1 1 1 0   26 22 f 206.2981 8.515754 1255.304       102.8097 1329.337       181.8744 1220.539       124.6329 211.0942 14.78425 203.1073 10.49865 7.986938       18.13272 
1 1 1 0   26 23 o 392.6178 8.380278 4539.895       192.9652 4466.874       294.3926 4594.901       255.5078 388.0729 12.95305 394.2043 11.06272 -6.131470      17.03424 
1 1 1 0   26 24 o 289.4389 8.450413 2470.544       143.2914 2544.158       242.5121 2431.059       177.6108 292.2359 14.19220 286.6549 10.58293 5.581055       17.70358 
1 1 1 0   26 25 o 296.5937 7.337650 2589.943       127.6349 2559.558       136.8048 2794.073       354.5886 294.6457 7.924013 303.5579 20.02933 -8.912201      21.53982 
1 1 1 0   26 26 o 234.7658 7.772563 1625.774       106.8687 1623.400       112.3191 1648.471       347.2826 234.5200 8.178776 229.5870 26.26410 4.932999       27.50810 
1 1 1 0   26 27 o 115.9827 12.38341 403.9708       82.93166 419.4850       86.40547 222.5808       295.4492 118.1496 12.66730 94.83112 36.92428 23.31846       39.03669 
1 1 1 0   26 28 o 30.78341 14.88097 -128.0489      81.68851 -122.3647      84.36729 -213.3201      326.7686 31.92410 15.35447 70.57774 32.79119 -38.65364      36.20803 
1 1 1 0   26 29 o 109.3705 14.37960 363.9676       90.00316 323.4724       93.37004 895.2862       338.2076 102.5435 16.05176 161.3834 36.58096 -58.83997      39.94779 
1 1 1 0   26 30 o 156.1417 9.897566 725.9848       90.16894 747.9861       93.71251 451.4591       331.0279 158.4403 10.13833 114.6737 40.03007 43.76653       41.29397 
1 1 1 0   26 31 f 35.28625 16.30540 -58.54306      79.16238 -53.03694      81.80356 -139.7050      314.0693 36.54323 16.77303 70.46655 32.53193 -33.92332      36.60138 
1 1 1 0   26 32 o 124.6320 11.91390 469.9652       86.02444 457.5999       89.85078 605.9401       297.9542 122.7233 12.66546 127.2752 37.43028 -4.551949      39.51506 
1 1 1 0   26 33 o 70.20837 19.94422 159.5646       85.96003 169.5118       89.95280 54.91883       291.7597 72.22038 20.36354 76.90993 33.73596 -4.689552      39.40544 
1 1 1 0   26 34 o 78.29053 19.76960 200.7333       90.77733 181.2841       94.97464 406.2996       308.7682 74.26183 20.91904 103.7969 38.35101 -29.53505      43.68531 
1 1 1 0   26 35 o 180.6699 10.06115 980.9196       106.1855 988.8329       112.1136 911.9710       330.9344 181.1603 10.59853 152.5946 37.29829 28.56572       38.77488 
1 1 1 0   26 36 o 160.6698 11.80661 786.1160       110.4757 822.7316       116.7845 474.4260       340.7326 164.1746 12.21667 106.1711 40.07283 58.00346       41.89366 
1 1 1 0   26 37 o 65.29504 22.57689 136.6773       105.1757 160.9529       109.4284 -157.5603      380.9733 69.58860 23.03467 71.20268 33.79697 -1.614082      40.90026 
1 1 1 0   26 38 o 164.7178 11.25371 826.9523       108.0612 825.5010       113.0426 842.3392       368.0790 164.2580 11.81341 134.2194 42.05411 30.03853       43.68186 
1 1 1 0   26 39 o 256.1500 8.687800 1969.752       130.3244 1946.729       137.8301 2164.039       400.3889 254.2470 9.258986 242.8337 28.66587 11.41336       30.12409 
1 1 1 0   26 40 o 104.7245 17.90687 361.4881       106.0320 370.2893       110.0563 247.7021       395.7213 105.6875 18.42534 85.64008 38.32863 20.04739       42.52737 
1 1 1 0   26 41 o 45.70674 20.10673 0.6729048      104.3210 14.99220       107.7745 -212.0846      415.4296 47.83474 20.75021 68.66344 33.27991 -20.82870      39.21892 
1 1 1 0   26 42 o 58.30275 22.90119 95.91346       114.4774 100.0118       118.7517 42.03760       430.5617 59.24622 23.30875 76.40802 36.16820 -17.16180      43.02832 
1 1 1 0   26 43 o 79.94360 24.60427 236.7148       126.6235 227.4196       130.2325 397.4865       541.6196 78.23409 25.07713 90.13585 41.99226 -11.90176      48.91025 
1 1 1 0   27 1  o 299.8500 6.848718 2641.685       120.4381 2573.717       145.8629 2787.299       213.4977 295.7006 8.419467 307.1748 11.87342 -11.47418      14.55560 
1 1 1 0   27 2  o 167.7019 9.299123 830.2161       91.10174 817.0204       105.5345 868.8058       180.4739 166.1537 10.89016 169.9729 18.39731 -3.819214      21.37889 
1 1 1 0   27 3  o 183.2941 9.466385 991.5381       101.4166 983.1394       107.9563 1054.629       295.8836 182.4291 10.13006 184.6547 28.21595 -2.225616      29.97929 
1 1 1 0   27 4  o 212.0920 8.291679 1324.981       102.9389 1347.871       110.5839 1176.396       281.7489 213.8547 8.836070 196.2049 25.05606 17.64977       26.56845 
1 1 1 0   27 5  o 195.2813 8.259981 1123.594       94.38615 1111.390       101.4518 1202.166       257.4203 194.1374 8.934415 199.1153 22.43386 -4.977936      24.14750 
1 1 1 0   27 6  o 287.5859 7.207250 2432.424       121.4634 2468.193       134.8817 2279.004       279.3424 289.6019 7.948991 276.4031 17.31936 13.19879       19.05641 
1 1 1 0   27 7  o 175.4748 9.143660 908.8305       93.77442 929.7061       102.6415 803.4279       230.6371 177.3850 9.905674 161.4343 25.18185 15.95067       27.06008 
1 1 1 0   27 8  o 120.7738 12.52021 435.4038       87.39699 365.7111       94.35590 856.2827       231.8750 110.1127 15.00071 166.9452 24.40353 -56.83249      28.64531 
1 1 1 0   27 9  o 231.4588 7.424281 1576.754       100.6506 1640.635       111.1046 1284.414       237.6788 236.0320 8.037941 206.4305 19.87755 29.60155       21.44121 
1 1 1 0   27 10 o 210.4776 7.747839 1304.644       95.47622 1248.841       104.2962 1593.343       237.2263 205.8099 8.660106 230.6967 17.66803 -24.88684      19.67630 
1 1 1 0   27 11 o 281.8473 6.824566 2334.854       112.8079 2390.888       134.2790 2200.445       207.9675 284.9682 8.042586 272.4694 13.05245 12.49875       15.33133 
1 1 1 0   27 12 o 211.1988 7.368943 1313.185       91.13416 1312.325       105.6514 1315.687       180.1431 210.9843 8.556112 210.1682 14.70788 0.8161011      17.01555 
1 1 1 0   27 13 o 185.6098 8.617833 1016.235       93.55405 1055.442       110.8455 919.1442       174.4314 188.9681 10.03784 174.9136 17.22733 14.05446       19.93838 
1 1 1 0   27 14 o 152.6412 11.43092 691.5707       101.5869 712.0562       110.3324 577.5020       260.3539 154.7602 12.25607 134.0515 33.27268 20.70876       35.45818 
1 1 1 0   27 15 o 135.4035 13.63938 548.0483       106.8372 560.8708       114.1174 457.0634       303.9846 136.8397 14.43701 120.4802 38.27957 16.35952       40.91153 
1 1 1 0   27 16 o 163.6468 15.95192 802.6287       151.1573 932.9543       172.9247 380.5176       311.2115 176.3194 16.93052 112.9537 38.84534 63.36574       42.37455 
1 1 1 0   27 17 o 267.6415 7.869628 2108.895       123.3918 2062.596       159.2157 2178.523       195.2514 264.3114 10.29082 271.2577 12.30535 -6.946320      16.04128 
1 1 1 0   27 18 o 299.6875 7.645663 2643.229       134.2702 2920.509       185.7952 2340.106       194.2610 314.6104 10.08259 281.2495 11.80347 33.36093       15.52354 
1 1 1 0   27 19 o 409.6805 7.680096 4936.962       184.5281 5096.742       247.2598 4736.104       277.2280 415.7785 10.14007 400.2405 11.82339 15.53793       15.57606 
1 1 1 0   27 20 o 129.9007 10.93832 501.5561       82.55870 431.9630       141.6015 537.3960       101.6174 118.2358 21.19938 134.1197 13.08510 -15.88388      24.91252 
1 1 1 0   27 21 o 321.5290 7.558328 3041.878       142.5268 3109.568       197.1887 2967.831       206.2426 324.4360 10.37675 316.7740 11.11865 7.661987       15.20860 
1 1 1 0   27 22 o 188.9412 9.135448 1054.829       100.9295 1010.055       183.5664 1074.230       120.8333 183.0810 17.30141 190.3776 10.86746 -7.296616      20.43136 
1 1 1 0   27 23 o 179.7023 9.462740 955.5327       99.37743 1036.262       202.9822 930.0817       113.9709 184.7433 19.00515 176.9993 11.03411 7.744049       21.97606 
1 1 1 0   27 24 o 324.2052 8.586001 3101.711       163.1094 3261.402       270.4732 3010.446       204.4741 330.7533 13.97492 318.7667 10.95370 11.98666       17.75617 
1 1 1 0   27 25 o 199.4831 7.859551 1174.587       91.77061 1182.078       95.31184 1079.354       339.8262 200.0718 8.139882 181.7294 33.10386 18.34239       34.08993 
1 1 1 0   27 26 o 73.14117 17.01986 167.0075       71.63121 184.4821       73.48557 -166.1897      320.8846 76.96395 16.75662 72.24153 33.18102 4.722420       37.17209 
1 1 1 0   27 27 o 84.60880 16.80105 222.5544       80.42771 228.2626       82.79958 127.1821       338.4478 85.64433 17.08392 90.65979 37.94818 -5.015465      41.61640 
1 1 1 0   27 28 o 263.9576 7.714227 2057.607       119.2919 2051.767       125.3658 2113.536       387.9522 263.4816 8.122641 258.4541 25.94489 5.027435       27.18666 
1 1 1 0   27 29 o 145.2164 10.42162 629.5251       88.16656 659.1817       91.25880 214.0249       341.5858 148.5842 10.54097 95.18690 38.80900 53.39726       40.21505 
1 1 1 0   27 30 o 222.4096 8.048901 1465.759       104.8151 1506.874       109.9773 1058.381       346.1784 225.4277 8.332847 173.3165 35.25869 52.11116       36.22998 
1 1 1 0   27 31 o 171.7085 9.295098 879.2794       93.25541 878.5054       97.44980 887.6942       321.3213 171.4963 9.728829 156.0907 35.85597 15.40559       37.15240 
1 1 1 0   27 32 f 79.44468 18.87290 204.2244       86.62341 255.1331       90.00002 -436.2991      319.2377 89.37004 17.79682 58.52302 28.54741 30.84702       33.64047 
1 1 1 0   27 33 o 179.5702 9.612958 965.5157       100.8686 1010.477       105.4232 478.6351       346.9189 183.6309 9.824802 110.0187 40.65105 73.61215       41.82146 
1 1 1 0   27 34 o 39.45123 18.01733 -47.75539      92.83083 7.910217       96.31603 -775.4397      348.2384 46.03776 19.79123 52.73280 26.41652 -6.695045      33.00796 
1 1 1 0   27 35 o 107.8851 16.15413 368.8205       99.07022 371.8366       103.0564 332.0789       359.6913 108.0093 16.81629 95.58385 39.48912 12.42548       42.92060 
1 1 1 0   27 36 o 88.64687 19.68740 261.3962       99.68922 257.0279       103.2354 321.7235       383.6443 87.50525 20.48061 93.94544 39.91739 -6.440193      44.86483 
1 1 1 0   27 37 o 156.5884 11.27108 747.6136       102.8159 749.7451       107.0368 722.1760       369.7714 156.5589 11.74306 122.9490 42.34030 33.60995       43.93860 
1 1 1 0   27 38 o 61.67073 22.31765 118.8784       103.7467 117.3005       108.1563 137.0531       367.0744 61.73996 22.71781 80.66386 36.43794 -18.92390      42.93975 
1 1 1 0   27 39 o 84.76917 21.65445 250.4729       108.0312 320.6532       112.3334 -613.4624      394.1324 97.00938 20.39287 57.94252 28.88432 39.06686       35.35779 
1 1 1 0   27 40 o 90.89874 21.20965 286.9249       110.9924 251.2124       114.8660 789.8001       431.0337 84.03297 22.75292 116.8706 44.84104 -32.83759      50.28334 
1 1 1 0   27 41 o 74.29337 23.86495 199.1563       117.9012 227.7478       122.5079 -159.7063      434.0202 78.93042 24.18434 70.43277 34.10866 8.497650       41.81247 
1 1 1 0   27 42 o 67.42491 25.00851 155.1781       131.5237 178.2988       135.7965 -194.9790      528.4688 70.77967 25.54413 73.66379 36.10149 -2.884117      44.22466 
1 1 1 0   28 0  o 300.7582 9.720407 2661.214       171.2307 2734.246       211.4595 2522.126       291.8213 304.6202 11.85901 291.7661 17.12957 12.85410       20.83406 
1 1 1 0   28 1  f 101.6597 15.11849 312.7900       87.39843 313.5666       98.31234 309.8633       190.8547 101.3645 17.14848 99.96967 30.09524 1.394859       34.63804 
1 1 1 0   28 2  o 184.6741 11.23642 1009.753       121.1224 1007.585       154.3209 1013.232       195.4673 183.9070 14.42322 183.5310 18.40818 0.3760071      23.38569 
1 1 1 0   28 3  o 52.66589 20.47919 52.86045       90.78840 48.53942       95.40469 94.29770       295.4415 52.91711 20.86963 86.75568 35.81023 -33.83857      41.44772 
1 1 1 0   28 4  f 169.3356 9.975230 847.7823       98.62653 846.1323       105.4104 859.3782       279.4371 169.0684 10.68558 165.4089 29.90595 3.659485       31.75763 
1 1 1 0   28 5  o 325.8804 9.694576 3131.160       185.0779 3235.679       231.6651 2946.755       307.7140 330.8133 11.96031 314.4268 16.74737 16.38641       20.57969 
1 1 1 0   28 6  o 187.1255 9.078540 1033.365       99.33487 1094.656       107.7246 685.2188       256.7402 192.5412 9.569830 146.9976 30.76948 45.54352       32.22333 
1 1 1 0   28 7  o 380.8005 7.520478 4264.212       167.9552 4302.981       189.9443 4125.248       359.6133 382.3833 8.469871 372.1977 16.51560 10.18558       18.56081 
1 1 1 0   28 8  o 58.91175 20.43352 94.16693       86.18266 85.41859       92.28490 153.8314       241.0049 58.21220 21.05114 85.55889 33.33908 -27.34669      39.42899 
1 1 1 0   28 9  o 360.8526 7.294370 3828.769       154.3719 3932.219       178.9559 3527.925       305.1770 365.5416 8.347543 344.5235 15.14064 21.01810       17.28931 
1 1 1 0   28 10 o 110.3534 14.94754 367.5172       94.25500 367.5172       94.25500 0.000000       0.000000 110.3534 14.94754 ?        ?        0.000000       14.94754 
1 1 1 0   28 11 o 163.7490 12.53540 797.1559       119.4683 624.9210       152.2201 1073.418       192.7843 143.6046 18.50355 189.0495 17.58964 -45.44495      25.52992 
1 1 1 0   28 12 o 264.5465 7.357901 2059.494       114.0472 2054.593       133.1666 2072.980       220.9051 264.0593 8.610422 264.1226 14.31449 -0.6323242E-01 16.70461 
1 1 1 0   28 13 o 162.9956 10.27945 786.3234       97.76395 809.6317       112.9004 716.4594       195.4640 165.1760 11.73096 152.8546 22.47453 12.32140       25.35192 
1 1 1 0   28 14 o 443.2101 10.26040 5790.985       266.7008 5634.817       329.4021 6088.181       454.4139 436.3397 12.88627 451.9725 17.17433 -15.63281      21.47123 
1 1 1 0   28 15 o 216.8708 9.161484 1387.480       116.2621 1407.881       142.6398 1347.101       200.6745 218.1443 11.18663 212.3263 16.23849 5.817993       19.71875 
1 1 1 0   28 16 o 212.4942 9.118617 1332.135       113.3743 1471.209       146.4885 1124.396       179.0355 222.9914 11.23743 193.9445 15.87914 29.04694       19.45320 
1 1 1 0   28 17 o 218.7145 8.804299 1410.696       112.7027 1402.268       148.0313 1422.318       173.8306 217.6004 11.64199 218.7624 13.61637 -1.162048      17.91484 
1 1 1 0   28 18 o 248.1520 7.931269 1813.815       115.2797 1674.408       149.9881 2015.035       180.1981 237.9602 10.77532 260.8801 11.80827 -22.91988      15.98570 
1 1 1 0   28 19 o 248.7837 7.678346 1822.942       111.8974 1806.966       146.9688 1844.976       172.5959 247.2841 10.15555 249.5378 11.82719 -2.253769      15.58902 
1 1 1 0   28 20 o 34.76143 15.84328 -44.37218      71.31191 -171.5451      128.2637 12.52672       85.79430 40.16184 19.21464 45.60335 19.09859 -5.441509      27.09167 
1 1 1 0   28 21 o 221.4832 8.254866 1447.036       107.0387 1492.171       163.8666 1413.447       141.3649 224.0637 12.51984 218.3763 11.07402 5.687408       16.71468 
1 1 1 0   28 22 f 38.67868 16.56858 -1.612668      67.05653 -63.25276      189.5862 7.201375       71.69067 59.35058 26.54856 41.21667 17.37178 18.13391       31.72703 
1 1 1 0   28 23 o 97.52576 13.59661 288.1491       75.65664 278.9927       187.2637 289.9352       82.70708 94.37807 30.05148 97.52143 14.93565 -3.143356      33.55838 
1 1 1 0   28 24 o 103.6559 13.21073 324.5805       78.48789 97.30964       187.9465 372.5880       86.38072 72.60387 29.07652 111.0907 13.53755 -38.48683      32.07349 
1 1 1 0   28 25 o 234.8746 7.395269 1627.103       101.7417 1648.572       106.3961 1397.700       347.7893 236.3660 7.685428 209.0506 29.15943 27.31535       30.15523 
1 1 1 0   28 26 o 118.0535 11.46562 417.6093       78.38425 442.1295       80.34029 -67.63649      357.3974 121.5130 11.40692 80.90685 36.30127 40.60613       38.05128 
1 1 1 0   28 27 o 213.7305 8.132821 1351.012       101.7572 1335.208       105.7999 1546.037       371.6606 212.3890 8.511045 217.9332 29.86311 -5.544220      31.05227 
1 1 1 0   28 28 o 30.17859 14.30184 -78.11212      67.69828 -72.95064      69.09340 -202.0659      338.5938 31.06200 14.63822 71.19546 33.17954 -40.13346      36.26513 
1 1 1 0   28 29 o 144.4467 10.00348 623.5354       84.22060 634.1824       86.80501 452.6746       347.7377 145.6185 10.22938 112.5824 40.84249 33.03615       42.10403 
1 1 1 0   28 30 o 158.2863 9.559978 748.4385       88.33268 760.8890       92.28296 612.2797       305.1769 159.4921 9.914823 127.3210 37.99303 32.17101       39.26543 
1 1 1 0   28 31 o 105.4655 14.14142 343.3977       85.26668 374.9166       88.08917 -124.9388      339.5596 110.3521 13.92015 72.10313 33.47487 38.24894       36.25380 
1 1 1 0   28 32 o 60.94482 20.41850 114.4716       85.93121 135.0249       88.73433 -195.5081      344.6018 65.08276 20.68213 69.03333 32.58088 -3.950562      38.59098 
1 1 1 0   28 33 o 166.0705 10.51557 831.0289       101.8920 849.0475       106.3658 630.2465       355.0612 167.7139 10.87250 121.8056 41.50306 45.90826       42.90356 
1 1 1 0   28 34 o 97.18764 17.04094 302.8912       93.59088 304.7668       97.06608 278.0953       352.9272 97.19315 17.67978 91.84315 38.61710 5.350006       42.47182 
1 1 1 0   28 35 o 56.28955 20.98346 88.64326       92.81476 120.3163       96.07178 -354.8648      359.5024 61.96642 21.56934 63.00918 30.63635 -1.042759      37.46762 
1 1 1 0   28 36 o 126.8834 13.17600 499.0663       96.62215 500.2113       99.36594 479.1878       414.0223 126.8265 13.56975 102.4102 42.34348 24.41625       44.46469 
1 1 1 0   28 37 o 154.3736 11.32868 728.7417       101.8516 726.2198       104.9765 769.2211       420.5727 153.8851 11.71990 120.3807 44.70728 33.50436       46.21792 
1 1 1 0   28 38 o 193.1284 10.30471 1133.290       116.2940 1123.514       121.2434 1245.750       411.2209 191.9542 10.81358 161.3173 42.77478 30.63692       44.12046 
1 1 1 0   28 39 o 91.85847 20.77231 290.9719       109.2737 293.8050       113.5640 255.5860       401.3466 91.86566 21.46677 85.56378 38.42340 6.301880       44.01341 
1 1 1 0   28 40 o 78.50268 25.00177 226.8524       129.6119 251.7616       136.7770 7.615685       405.7790 82.13648 25.62081 74.34803 35.16892 7.788452       43.51183 
1 1 1 0   28 41 o 51.73977 23.24043 -6.455535      146.9372 29.83406       155.0703 -325.4424      459.7523 55.80381 24.53260 67.36466 33.14597 -11.56086      41.23717 
1 1 1 0   29 1  o 340.0760 11.97016 3420.289       238.3683 3420.289       238.3683 0.000000       0.000000 340.0760 11.97016 ?        ?        0.000000       11.97016 
1 1 1 0   29 2  o 310.6043 7.805717 2839.600       142.0779 2988.443       158.5701 2233.639       319.9482 318.5372 8.495688 272.4767 20.16453 46.06042       21.88116 
1 1 1 0   29 3  o 263.2076 8.190706 2040.427       126.2819 2000.762       136.6944 2271.427       329.8806 260.5219 8.959895 274.6184 20.63308 -14.09656      22.49453 
1 1 1 0   29 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   29 5  o 349.7141 7.932145 3597.878       162.6875 3745.381       183.4665 3055.108       351.9366 356.6830 8.770489 319.3450 18.87536 37.33801       20.81347 
1 1 1 0   29 6  o 395.3299 10.31564 4611.086       238.9655 4979.692       316.6952 4123.741       364.1484 410.0511 13.18615 371.9709 16.73526 38.08017       21.30595 
1 1 1 0   29 7  o 109.1527 15.59024 360.5960       96.96957 297.9222       101.5972 1001.934       324.9992 98.45000 18.26851 177.7436 32.36943 -79.29360      37.16879 
1 1 1 0   29 8  o 264.2654 10.99814 2064.116       170.0825 2037.082       204.2920 2125.179       307.0326 262.0411 13.33712 265.8333 19.83658 -3.792236      23.90332 
1 1 1 0   29 9  o 92.06391 21.93439 264.5569       116.7375 166.8672       129.7499 679.6241       267.4494 75.77061 25.08253 145.8425 32.13677 -70.07191      40.76647 
1 1 1 0   29 10 o 422.9440 7.735740 5261.568       191.8824 5294.842       222.6345 5165.459       378.3724 424.0596 8.951897 416.8697 15.50336 7.189941       17.90225 
1 1 1 0   29 11 o 177.7884 9.722120 934.0849       100.9855 987.5830       114.2982 743.7248       215.6047 182.6756 10.71568 155.1929 24.50044 27.48273       26.74131 
1 1 1 0   29 12 o 89.65575 18.53797 248.3240       94.25340 225.2808       104.4164 349.7113       219.0226 85.05224 21.04823 105.8625 32.31768 -20.81025      38.56760 
1 1 1 0   29 13 o 258.0592 8.241777 1961.517       124.5757 1883.880       145.0702 2179.541       243.1066 252.6601 9.808822 270.5874 15.38265 -17.92735      18.24388 
1 1 1 0   29 14 o 219.8257 10.12961 1427.518       130.2425 1383.981       140.3472 1697.623       349.5753 216.2796 11.10179 235.3527 25.74581 -19.07309      28.03741 
1 1 1 0   29 15 o 182.9469 12.43202 993.9196       132.5958 993.9196       132.5958 0.000000       0.000000 182.9469 12.43202 ?        ?        0.000000       12.43202 
1 1 1 0   29 16 o 223.0709 8.845177 1467.735       115.4883 1412.459       142.5328 1573.388       197.0542 218.4430 11.16269 229.8197 14.69704 -11.37671      18.45559 
1 1 1 0   29 17 o 182.3215 9.565776 982.6154       101.9264 1077.977       129.7511 828.9306       164.7176 190.6282 11.66156 165.8675 17.18129 24.76073       20.76508 
1 1 1 0   29 18 o 173.6734 9.453602 891.9483       95.92693 848.6235       127.1875 949.1084       146.0907 168.7641 12.94924 178.2820 14.08659 -9.517853      19.13412 
1 1 1 0   29 19 o 60.66271 20.09241 106.0695       83.25517 167.3077       133.4542 67.05092       106.5263 75.80322 25.44630 57.42408 22.22354 18.37914       33.78461 
1 1 1 0   29 20 f 298.0593 7.571493 2617.516       132.2461 2470.873       172.3900 2827.229       206.1555 289.0266 10.18599 308.8613 11.40058 -19.83469      15.28815 
1 1 1 0   29 21 f 227.9396 8.226577 1533.447       109.7935 1583.414       162.2518 1491.240       149.1208 230.7909 12.02879 224.1153 11.38258 6.675629       16.56064 
1 1 1 0   29 22 f 96.94678 13.60446 284.9428       75.22522 191.2663       157.2185 312.7567       85.66810 80.69497 27.61438 101.3542 14.85270 -20.65926      31.35533 
1 1 1 0   29 23 o 69.15541 16.80519 149.2165       67.48032 132.9763       153.2754 153.1210       75.15579 72.41122 26.97075 69.98360 18.15739 2.427620       32.51326 
1 1 1 0   29 24 o 131.8892 19.28876 537.2580       144.7871 542.3018       159.6298 513.8568       343.8371 131.7895 21.38534 123.2437 40.83263 8.545807       46.09378 
1 1 1 0   29 25 o 187.5775 15.42976 1063.057       168.2430 943.9713       186.9164 1571.319       386.1544 175.5807 18.42601 219.7123 30.81374 -44.13155      35.90271 
1 1 1 0   29 26 o 231.5414 7.308580 1583.029       99.12153 1572.346       102.7528 1726.203       376.1761 230.6922 7.605088 231.2198 28.33192 -0.5276489     29.33488 
1 1 1 0   29 27 o 164.6174 8.368683 803.8435       80.52968 797.1392       82.53748 936.6377       367.3362 163.8710 8.618428 160.7296 39.30186 3.141403       40.23573 
1 1 1 0   29 28 o 39.35272 16.54176 10.14568       64.72794 20.21957       65.82086 -285.6671      356.6756 41.21603 16.94633 68.88725 32.69895 -27.67122      36.82933 
1 1 1 0   29 29 o 157.2876 9.358965 738.7214       85.94189 725.8912       88.61499 941.8127       352.5622 155.7928 9.747447 158.0296 38.41890 -2.236816      39.63615 
1 1 1 0   29 30 o 114.8842 12.53255 402.5875       83.07277 409.7333       85.80559 295.7361       331.8044 115.7973 12.85087 95.98972 38.56780 19.80757       40.65244 
1 1 1 0   29 31 o 166.4963 9.859428 831.5052       95.84248 824.1532       99.36082 929.8368       363.3797 165.5947 10.28172 152.1461 40.14748 13.44853       41.44315 
1 1 1 0   29 32 o 46.05162 19.34338 21.49959       88.40838 20.60957       90.83855 37.46928       384.7863 46.43715 19.56235 81.55872 37.02737 -35.12156      41.87734 
1 1 1 0   29 33 o 53.92532 20.55643 74.79819       90.19916 96.83526       92.95843 -279.9655      372.9765 57.89453 21.10009 67.19384 32.30936 -9.299313      38.58897 
1 1 1 0   29 34 o 51.93393 20.43886 62.29117       91.33642 62.46465       94.62041 59.92137       349.7207 52.45405 20.75343 78.03960 35.37822 -25.58554      41.01614 
1 1 1 0   29 35 o 148.3169 11.79081 673.3898       101.7180 673.0209       105.0811 678.8791       405.3060 148.0529 12.21045 116.7905 43.78570 31.26236       45.45638 
1 1 1 0   29 36 o 173.9011 10.95153 921.4117       111.1262 923.0447       114.2282 892.5648       480.1099 173.8688 11.26274 124.5710 47.44059 49.29773       48.75919 
1 1 1 0   29 37 o 246.0540 9.150795 1824.410       131.8204 1853.604       138.1624 1528.133       440.1404 247.7388 9.526984 181.8130 42.10692 65.92580       43.17124 
1 1 1 0   29 38 o 95.66736 19.50620 309.6466       105.7279 250.6830       110.7833 911.8314       354.0357 84.33614 22.12613 137.3568 40.90552 -53.02071      46.50620 
1 1 1 0   29 39 o 69.08529 23.85753 166.8879       117.4316 200.6457       121.7890 -279.7053      442.9727 74.53416 24.28126 67.99792 33.26757 6.536232       41.18630 
1 1 1 0   29 40 o 82.72451 26.36147 260.1335       144.0761 343.7121       150.0916 -720.2890      514.0620 95.23410 26.10145 63.06780 31.66425 32.16630       41.03547 
1 1 1 0   29 41 o 133.5573 17.87236 592.2615       136.4803 588.2996       141.7657 642.4431       504.5309 132.3200 18.79637 99.18989 43.90051 33.13010       47.75519 
1 1 1 0   30 0  o 604.5773 11.71889 10756.20       415.5171 10205.10       526.0825 11670.14       677.4855 587.9686 15.26922 627.8505 18.41887 -39.88184      23.92496 
1 1 1 0   30 1  o 337.4939 7.165360 3348.882       141.8255 3117.093       167.6916 3931.236       265.8019 325.2696 8.798658 364.4851 12.45277 -39.21548      15.24755 
1 1 1 0   30 2  o 279.1384 8.125984 2294.550       132.8873 2329.709       146.7464 2134.342       313.2479 281.1509 8.910997 266.2849 20.20906 14.86606       22.08647 
1 1 1 0   30 3  o 75.32755 22.26286 173.5070       105.1891 156.0637       113.2592 282.9879       283.7457 72.69965 23.39398 101.7150 36.89452 -29.01538      43.68619 
1 1 1 0   30 4  f 297.8311 10.88525 2620.398       189.8138 2779.728       229.9949 2280.085       336.1317 306.3305 12.83040 274.9989 21.00029 31.33154       24.60958 
1 1 1 0   30 5  o 500.7588 8.818233 7382.599       258.9767 7297.758       294.4211 7672.691       544.4231 497.5672 10.08943 506.8431 18.34550 -9.275909      20.93690 
1 1 1 0   30 6  o 207.5565 14.71981 1283.452       178.0172 1283.452       178.0172 0.000000       0.000000 207.5565 14.71981 ?        ?        0.000000       14.71981 
1 1 1 0   30 7  o 239.7474 9.099087 1695.023       127.7066 1775.470       138.2658 1227.859       333.1921 245.2970 9.629785 198.3970 29.53489 46.90004       31.06513 
1 1 1 0   30 8  o 320.2726 8.131883 3019.928       152.6195 3115.004       169.0384 2600.599       354.9980 325.1554 8.872581 293.9221 20.72703 31.23334       22.54623 
1 1 1 0   30 9  o 288.7199 8.397279 2455.229       142.0379 2416.278       153.6508 2684.076       372.4361 286.2982 9.162735 298.3648 21.42669 -12.06659      23.30362 
1 1 1 0   30 10 o 254.9591 8.708337 1915.732       130.0224 1800.599       139.2550 2698.652       363.1357 247.0307 9.630349 299.4065 20.80982 -52.37582      22.93016 
1 1 1 0   30 11 o 202.2362 9.696402 1207.881       114.6708 1083.150       126.1105 1803.330       275.5406 191.2353 11.29461 244.9120 19.34024 -53.67674      22.39672 
1 1 1 0   30 12 o 36.14327 17.24854 -133.5825      101.9814 -167.2572      113.5600 6.749878       231.8207 36.99207 17.79763 71.76714 30.77572 -34.77507      35.55138 
1 1 1 0   30 13 o 263.6866 8.052180 2047.938       124.3778 1965.715       142.8662 2305.377       252.7952 258.1171 9.453585 278.1565 15.55834 -20.03940      18.20528 
1 1 1 0   30 14 o 181.8342 9.800084 977.5652       104.1234 880.7462       119.5982 1280.762       211.6443 172.2192 11.91455 206.4778 17.64663 -34.25856      21.29226 
1 1 1 0   30 15 o 89.84122 19.03490 250.5004       97.17226 243.2305       112.2726 272.2051       193.9938 88.13692 21.83396 94.55273 30.63342 -6.415817      37.61819 
1 1 1 0   30 16 o 287.3860 7.798429 2432.814       131.3172 2402.104       159.0742 2498.514       232.6718 285.2502 9.522091 289.8893 13.72448 -4.639069      16.70424 
1 1 1 0   30 17 o 117.1587 15.15267 415.0320       101.6791 492.9099       128.7145 285.7689       165.8279 127.1956 17.73628 95.23608 27.90123 31.95954       33.06137 
1 1 1 0   30 18 o 176.7353 12.21020 929.9463       125.7821 844.8260       192.3926 993.4885       166.2276 166.2411 20.14371 181.8193 15.74379 -15.57817      25.56631 
1 1 1 0   30 19 o 138.4173 11.75420 571.6794       94.51733 609.8783       135.6799 535.6654       131.7425 141.8236 16.62772 132.5979 17.35731 9.225739       24.03658 
1 1 1 0   30 20 o 117.7576 12.86055 416.7129       87.37544 449.3481       142.6671 397.1245       110.5298 120.1014 21.01999 113.8798 17.07514 6.221603       27.08136 
1 1 1 0   30 21 o 355.0969 7.535396 3715.319       156.9291 3598.495       201.6740 3894.620       249.8473 348.7372 9.870476 362.1319 11.77974 -13.39474      15.36842 
1 1 1 0   30 22 o 49.63540 17.94081 62.90369       67.01889 -134.8231      142.1280 119.4385       75.99847 45.19121 21.20183 62.55679 19.02498 -17.36558      28.48627 
1 1 1 0   30 23 o 179.6381 8.826733 955.5967       92.70799 978.0001       150.4980 941.8967       117.6886 180.3148 14.34972 177.7782 11.34693 2.536682       18.29391 
1 1 1 0   30 24 o 167.2098 9.305154 829.8436       90.89069 855.2018       159.3676 817.6192       110.6505 167.6749 16.41633 165.4536 11.47428 2.221283       20.02885 
1 1 1 0   30 25 o 83.55067 25.43012 223.6492       135.7487 224.8115       147.3023 217.0995       349.6671 84.02953 26.64070 96.15149 39.24155 -12.12196      47.43023 
1 1 1 0   30 26 o 93.99804 10.99998 266.7612       59.49479 271.3866       60.36428 109.6612       351.7972 94.80403 11.06461 87.91351 37.80913 6.890518       39.39487 
1 1 1 0   30 27 o 150.9143 8.604477 677.6633       75.84061 645.4564       77.57414 1374.217       360.7613 147.1639 9.031544 199.9372 31.83263 -52.77324      33.08905 
1 1 1 0   30 28 o 95.53596 13.08766 280.2323       71.40407 289.0368       72.90081 72.39504       354.1938 97.02950 13.14892 83.59898 36.90136 13.43052       39.17403 
1 1 1 0   30 29 f 143.1116 9.859035 614.3915       82.24277 595.7502       84.42114 961.6872       364.3862 140.7705 10.29683 156.5411 39.65239 -15.77060      40.96750 
1 1 1 0   30 30 o 88.87853 16.66045 251.3701       83.65300 244.6935       85.98528 369.4590       361.6206 87.38000 17.39061 100.9804 40.36890 -13.60036      43.95545 
1 1 1 0   30 31 o 121.0476 12.71729 449.2603       88.93523 447.7455       91.87061 471.8367       354.6594 120.6415 13.19981 107.4813 40.81148 13.16026       42.89303 
1 1 1 0   30 32 o 136.0086 11.76687 564.3328       92.93708 571.2531       96.23559 468.5413       358.0446 136.6810 12.13129 105.2730 40.74260 31.40800       42.51032 
1 1 1 0   30 33 o 146.4048 11.41700 653.2771       97.25516 670.9468       100.7166 409.3868       374.1830 148.2540 11.67784 99.36916 40.57906 48.88480       42.22596 
1 1 1 0   30 34 f 321.8669 8.090891 3094.663       152.6085 3132.810       162.7087 2815.706       439.9996 323.4737 8.584307 282.4010 26.89078 41.07269       28.22772 
1 1 1 0   30 35 o 111.4290 16.12834 398.1109       102.3379 402.6697       105.1644 316.7075       444.3896 111.8431 16.53016 91.78043 40.87767 20.06262       44.09343 
1 1 1 0   30 36 o 95.67912 19.95958 310.0485       108.3713 313.1436       111.7356 260.9619       444.9785 95.82581 20.50176 87.83340 39.85321 7.992409       44.81741 
1 1 1 0   30 37 o 96.22694 20.10905 315.6868       109.8232 319.5783       114.4846 270.7967       388.8318 96.32914 20.86906 86.07954 38.29404 10.24960       43.61137 
1 1 1 0   30 38 o 162.5713 12.61037 821.8581       119.2931 811.6123       124.5628 935.3211       414.5173 161.0342 13.30794 128.2300 44.79239 32.80420       46.72750 
1 1 1 0   30 39 o 59.88784 24.01654 99.05322       128.4049 116.6915       133.6481 -112.6060      462.9698 62.49122 24.68362 72.80206 35.24930 -10.31084      43.03248 
1 1 1 0   30 40 o 63.11325 24.36297 126.6415       127.7838 105.2561       131.7926 462.2165       522.0673 60.70101 24.33518 91.60567 42.16562 -30.90466      48.68409 
1 1 1 0   31 1  o 154.0806 12.74975 706.6094       114.1822 816.2234       130.8006 355.5857       234.0695 165.5181 13.59423 107.0237 33.53635 58.49445       36.18687 
1 1 1 0   31 2  o 230.5295 10.20170 1569.665       137.5855 1659.087       150.8218 1126.243       335.8542 236.9015 10.88449 189.1466 31.37510 47.75484       33.20947 
1 1 1 0   31 3  o 194.0426 11.74281 1115.852       133.0094 1100.049       144.3487 1204.747       342.3582 192.4563 12.86266 195.9935 30.79907 -3.537247      33.37710 
1 1 1 0   31 4  o 338.6963 11.07870 3388.490       219.7683 3604.712       273.4395 2993.980       369.3520 348.7686 13.39311 315.7140 20.05146 33.05460       24.11299 
1 1 1 0   31 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   31 6  o 278.5561 9.262131 2287.852       151.1019 2233.112       164.2171 2590.069       385.8555 275.0396 10.19824 292.5565 22.66537 -17.51685      24.85403 
1 1 1 0   31 7  o 231.2465 10.95263 1581.316       148.1181 1581.316       148.1181 0.000000       0.000000 231.2465 10.95263 ?        ?        0.000000       10.95263 
1 1 1 0   31 8  o 180.5439 15.73232 975.2641       164.9193 899.8961       184.4016 1276.470       368.6404 172.7068 18.49317 201.0778 32.35770 -28.37102      37.26953 
1 1 1 0   31 9  o 240.0233 9.378755 1699.840       131.7687 1652.854       140.7941 2031.473       374.0503 236.5487 10.17255 257.8452 25.05085 -21.29648      27.03749 
1 1 1 0   31 10 o 37.32873 17.67489 -119.6422      102.9656 -71.97115      108.0203 -593.5414      340.5816 42.26456 19.35251 60.06983 29.34198 -17.80526      35.14928 
1 1 1 0   31 11 o 31.11677 15.35479 -219.6587      101.0819 -176.5303      110.4942 -440.9397      250.2825 35.68573 17.26439 51.65823 25.21585 -15.97250      30.55975 
1 1 1 0   31 12 o 125.0422 14.39900 469.9500       103.6684 510.7565       114.0018 274.9750       249.1933 130.2488 15.21007 98.10863 34.69264 32.14016       37.88041 
1 1 1 0   31 13 o 167.4322 10.83228 831.3257       105.7967 784.2175       118.1226 1022.368       237.8757 162.2926 12.50675 182.6035 22.70086 -20.31088      25.91810 
1 1 1 0   31 14 o 297.8632 7.694451 2613.214       134.3016 2549.190       155.9473 2797.023       264.2336 293.9387 9.057099 306.3877 14.74835 -12.44894      17.30737 
1 1 1 0   31 15 o 81.02411 22.65135 205.0364       111.8015 199.5858       117.4376 257.7676       365.2736 80.18654 23.47665 104.2722 40.92290 -24.08564      47.17878 
1 1 1 0   31 16 o 67.01295 22.42425 130.0043       103.6465 11.31783       121.4930 447.3293       198.6566 53.16094 22.52044 117.7709 28.96570 -64.61000      36.69035 
1 1 1 0   31 17 f 401.0106 7.583220 4736.305       178.3446 4826.850       222.5871 4573.946       298.0609 404.3545 9.386146 392.2182 12.97552 12.13623       16.01449 
1 1 1 0   31 18 o 212.0257 8.928988 1328.994       110.7817 1321.068       139.8688 1342.335       181.4697 210.8676 11.35179 211.6376 14.71204 -0.7700806     18.58245 
1 1 1 0   31 19 o 187.9808 9.315032 1046.282       102.3749 1074.688       135.2438 1008.163       156.6671 189.8733 12.20987 183.2018 14.70475 6.671539       19.11309 
1 1 1 0   31 20 o 222.4769 8.179405 1461.893       106.5411 1411.603       143.0467 1524.545       159.6628 217.9186 11.23053 226.2556 12.07619 -8.337051      16.49119 
1 1 1 0   31 21 o 125.1229 11.56266 468.6234       83.88928 572.2831       135.1350 403.6294       107.0038 136.8311 17.22013 114.8356 16.34940 21.99545       23.74522 
1 1 1 0   31 22 o 301.3030 9.307913 2688.127       164.2802 2728.913       181.4940 2503.196       386.4663 303.2822 10.21846 283.5224 23.45159 19.75980       25.58113 
1 1 1 0   31 23 o 26.28433 12.69198 -91.45134      59.01801 -138.2530      133.5860 -80.10088      65.78648 42.90969 20.26185 29.44042 13.99430 13.46927       24.62484 
1 1 1 0   31 24 o 158.1232 9.056644 743.1516       83.63596 696.6224       138.7589 769.7009       104.8155 150.9735 15.91042 160.3664 11.21522 -9.392883      19.46593 
1 1 1 0   31 25 o 45.13424 20.59004 -63.02541      120.8033 -83.56264      128.8248 86.64835       347.7775 45.26525 20.87512 85.65826 37.21534 -40.39301      42.67027 
1 1 1 0   31 26 o 137.0235 8.422404 558.9894       67.35629 543.8014       68.63956 953.8182       349.9680 135.0712 8.711305 160.1602 37.85995 -25.08893      38.84923 
1 1 1 0   31 27 o 71.33440 15.98535 161.6930       65.21600 155.3830       66.31025 348.1620       360.4717 69.79633 16.46727 101.3127 40.37027 -31.51635      43.59965 
1 1 1 0   31 28 o 111.0083 11.83966 375.0365       75.89230 398.9052       77.89679 -70.91916      336.7067 114.5476 11.76226 73.76720 33.92113 40.78040       35.90256 
1 1 1 0   31 29 f 31.46191 14.98724 -90.45673      76.27396 -81.34269      77.92830 -298.3053      372.1460 32.65334 15.43589 67.75636 32.49978 -35.10303      35.97919 
1 1 1 0   31 30 o 40.92215 17.92074 -7.639722      82.02715 29.32993       84.10634 -727.7683      371.2027 46.16393 19.08588 55.87871 27.88318 -9.714783      33.78968 
1 1 1 0   31 31 o 62.03240 20.16234 123.5386       84.00005 98.17122       86.12024 619.7910       380.9072 57.35827 20.38398 116.3173 42.66130 -58.95905      47.28101 
1 1 1 0   31 32 o 93.36518 16.52419 280.2115       87.17031 267.1669       89.76095 496.4626       365.4689 90.64793 17.51811 105.6126 41.08280 -14.96468      44.66185 
1 1 1 0   31 33 o 208.3298 9.071077 1304.146       110.5652 1349.432       115.8395 840.5367       370.6380 211.7634 9.350339 133.6036 42.24636 78.15977       43.26873 
1 1 1 0   31 34 o 42.62115 18.94109 -13.88916      94.87777 -10.88942      97.62672 -64.91647      402.6510 43.51362 19.28232 74.17754 35.07178 -30.66392      40.02296 
1 1 1 0   31 35 o 68.63424 21.98456 161.5690       100.1049 158.5413       103.0953 211.5004       418.6669 68.09547 22.34984 84.88356 38.57078 -16.78809      44.57825 
1 1 1 0   31 36 o 68.79001 22.34367 163.7507       103.1685 187.3222       107.2505 -128.3420      377.5420 72.95620 22.67653 68.90639 32.96659 4.049812       40.01276 
1 1 1 0   31 37 o 58.40054 22.19573 101.9812       104.9620 99.12431       108.5164 143.4609       413.4943 58.29532 22.46495 79.87955 37.03505 -21.58422      43.31592 
1 1 1 0   31 38 o 115.2296 18.76177 445.6973       122.4328 486.6357       125.3725 -396.6958      568.7141 120.8792 18.25300 71.33090 35.41488 49.54828       39.84201 
1 1 1 0   31 39 o 84.23390 24.69164 265.1990       129.8396 291.0303       134.0324 -128.4062      523.1997 88.13848 24.85895 74.29696 36.30779 13.84152       44.00253 
1 1 1 0   32 0  o 132.8550 22.17667 537.8773       166.7057 672.3085       190.5699 99.69993       344.0561 148.8109 22.54080 93.95244 38.69882 54.85841       44.78489 
1 1 1 0   32 1  o 256.8328 9.231740 1945.519       138.8282 2101.853       165.8260 1579.190       253.8410 266.7203 10.62223 229.1173 19.06349 37.60304       21.82311 
1 1 1 0   32 2  o 58.35294 23.74464 44.21913       127.5690 79.95850       136.9630 -189.8323      350.4978 64.28267 25.10862 76.38787 34.93302 -12.10520      43.02044 
1 1 1 0   32 3  o 35.58198 17.48325 -255.5538      126.4715 -290.0596      135.3919 -19.27834      354.2873 36.10704 17.80847 85.73327 37.40047 -49.62623      41.42387 
1 1 1 0   32 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   32 5  o 148.3047 15.20094 659.6672       130.3446 595.7544       140.4645 1055.885       349.7353 140.3506 17.43990 181.5992 34.08952 -41.24857      38.29158 
1 1 1 0   32 6  o 173.5271 12.58676 895.3113       127.2242 906.5518       138.8076 836.2700       318.1255 174.4031 13.68032 160.8638 34.73806 13.53922       37.33475 
1 1 1 0   32 7  o 115.4734 18.07100 407.2026       118.3712 402.8672       125.7574 440.8910       350.5583 114.5120 19.41848 119.8783 41.22786 -5.366226      45.57207 
1 1 1 0   32 8  o 72.42141 23.69166 153.9971       115.8874 216.6501       123.5795 -302.7979      333.6844 83.51839 23.97476 69.00850 32.41087 14.50989       40.31443 
1 1 1 0   32 9  o 428.5333 8.448873 5408.192       212.3410 5533.253       241.4613 4981.490       446.0157 433.2139 9.503741 407.4880 18.71310 25.72592       20.98812 
1 1 1 0   32 10 o 200.7026 14.37507 1202.200       168.0846 1202.200       168.0846 0.000000       0.000000 200.7026 14.37507 ?        ?        0.000000       14.37507 
1 1 1 0   32 11 o 199.2203 10.06669 1174.291       117.2360 1129.657       129.4553 1377.803       276.4278 195.1482 11.36021 212.2650 22.54975 -17.11674      25.24966 
1 1 1 0   32 12 o 101.6218 18.12085 318.1608       104.0367 270.0738       113.2244 578.9052       263.6534 92.81324 21.25878 133.0577 33.74285 -40.24450      39.88126 
1 1 1 0   32 13 o 252.7962 8.246489 1884.972       122.0980 1902.425       138.0150 1822.128       261.8929 253.7666 9.289124 245.7421 18.30306 8.024460       20.52534 
1 1 1 0   32 14 o 417.0252 7.639704 5121.990       186.8484 5258.264       227.2617 4837.706       328.2429 422.1291 9.179743 403.0344 13.90766 19.09473       16.66405 
1 1 1 0   32 15 o 108.6389 16.82685 361.4284       103.7470 331.7976       118.4150 459.2993       215.2098 103.0734 20.31151 118.6754 30.69309 -15.60197      36.80520 
1 1 1 0   32 16 o 258.9280 8.183772 1978.642       124.1187 1874.557       143.7292 2283.913       246.1465 251.6775 9.756040 276.0757 15.26189 -24.39815      18.11368 
1 1 1 0   32 17 f 193.4360 9.718440 1108.730       109.8983 1059.024       130.5358 1229.718       203.6548 188.5569 11.86434 201.5188 17.40204 -12.96193      21.06166 
1 1 1 0   32 18 o 383.0883 7.594346 4325.376       170.6239 4363.980       213.2266 4256.652       284.4993 384.2569 9.461700 378.0446 12.85048 6.212341       15.95803 
1 1 1 0   32 19 o 243.3870 8.484038 1750.788       120.9166 1854.620       157.9193 1603.650       187.9881 249.9080 10.80018 231.3797 13.91768 18.52823       17.61663 
1 1 1 0   32 20 o 251.5769 8.259988 1870.645       121.7059 2053.282       168.3065 1670.471       176.2010 262.8159 10.94334 236.4214 12.75505 26.39456       16.80619 
1 1 1 0   32 21 o 109.4384 13.87047 363.9088       87.02817 286.6675       145.7528 406.7047       108.4908 93.92812 25.71252 114.9880 16.56477 -21.05985      30.58636 
1 1 1 0   32 22 o 97.16670 14.10859 288.9465       78.05103 -49.35551      139.7744 442.2328       94.08645 50.45010 22.66354 120.7740 13.51466 -70.32393      26.38716 
1 1 1 0   32 23 o 136.1139 9.993920 553.6085       79.22291 423.3342       138.3653 617.1455       96.62976 115.0756 21.28567 143.3043 11.59643 -28.22864      24.23957 
1 1 1 0   32 24 o 39.79323 18.90786 -133.5565      119.8542 -15.00823      127.9037 -987.4543      343.2720 50.66344 22.27627 49.37800 24.92868 1.285439       33.43159 
1 1 1 0   32 25 o 38.50408 15.65719 20.75088       55.42327 103.1574       127.3086 1.480474       61.56339 63.67869 24.38542 37.05811 15.87494 26.62059       29.09747 
1 1 1 0   32 26 o 113.5359 9.227367 386.3990       60.91222 385.7608       61.82595 407.5105       355.6115 113.4006 9.380013 105.2053 40.63417 8.195343       41.70277 
1 1 1 0   32 27 o 59.17071 17.12470 111.4510       62.80898 116.4764       63.69036 -66.36047      378.8508 60.39116 17.17145 77.39160 35.72929 -17.00045      39.64140 
1 1 1 0   32 28 o 47.59778 17.99722 55.68856       68.79702 60.61987       70.00942 -83.00097      371.2766 48.72382 18.21196 75.44561 35.01866 -26.72179      39.47128 
1 1 1 0   32 29 o 177.9253 8.405941 945.4416       87.46713 975.4279       90.16337 466.4412       360.3604 180.6813 8.532871 106.0619 40.92067 74.61941       41.80085 
1 1 1 0   32 30 o 66.58285 19.40912 146.2280       80.42208 148.4117       82.07058 93.50007       403.2753 67.02959 19.62606 83.11739 37.80224 -16.08780      42.59333 
1 1 1 0   32 31 o 170.7454 9.584387 878.2227       95.59102 891.9281       98.70075 670.9465       383.8388 171.9597 9.827781 118.5905 42.92593 53.36928       44.03659 
1 1 1 0   32 32 o 152.3950 10.66077 705.8762       94.68075 711.0310       97.54677 621.9999       393.4839 152.8021 10.95787 112.3502 42.90889 40.45191       44.28597 
1 1 1 0   32 33 o 92.82864 17.75285 283.4932       93.12878 297.6760       95.52643 11.55277       418.2921 95.16769 17.76856 77.66305 36.41593 17.50465       40.51965 
1 1 1 0   32 34 o 94.20317 18.27441 294.9886       97.31886 301.4846       100.6721 202.3202       380.2343 94.98362 18.73803 83.08084 37.34631 11.90278       41.78350 
1 1 1 0   32 35 f 64.24192 22.24509 138.0311       102.1225 108.9424       105.0594 636.5919       434.9424 59.68514 22.30966 106.1179 43.58931 -46.43275      48.96681 
1 1 1 0   32 36 o 67.08921 22.92780 155.5748       108.3744 145.0024       111.7318 323.6067       445.4357 65.43845 23.22177 87.98122 39.90181 -22.54276      46.16714 
1 1 1 0   32 37 o 58.38234 22.71454 99.22848       111.7377 87.85085       113.7210 416.9198       600.9210 57.02773 22.69104 90.94022 42.95153 -33.91249      48.57692 
1 1 1 0   32 38 o 56.36204 23.20667 75.36727       123.6642 78.08018       125.9113 1.389385       657.5026 56.92280 23.42488 80.87606 39.76338 -23.95326      46.15031 
1 1 1 0   33 1  o 61.04774 23.57150 76.90975       119.6377 67.26644       127.5820 147.1882       344.4193 61.06448 24.11791 94.93926 38.86982 -33.87478      45.74425 
1 1 1 0   33 2  o 204.3478 11.80933 1238.835       140.9262 1238.835       140.9262 0.000000       0.000000 204.3478 11.80933 ?        ?        0.000000       11.80933 
1 1 1 0   33 3  o 271.7386 14.49225 2198.989       230.1253 2198.989       230.1253 0.000000       0.000000 271.7386 14.49225 ?        ?        0.000000       14.49225 
1 1 1 0   33 4  o 139.1141 16.22705 584.0826       129.9085 584.0826       129.9085 0.000000       0.000000 139.1141 16.22705 ?        ?        0.000000       16.22705 
1 1 1 0   33 5  o 232.5946 10.30063 1600.001       140.1636 1560.102       152.5079 1816.967       355.6348 229.4577 11.36825 242.9468 25.33157 -13.48911      27.76554 
1 1 1 0   33 6  o 263.9826 9.546559 2057.951       147.5560 2173.026       162.9384 1533.365       347.8894 271.1247 10.26571 222.0608 27.28569 49.06393       29.15294 
1 1 1 0   33 7  o 63.74167 23.98808 94.42125       121.8973 146.7044       131.3193 -231.2012      327.7216 72.50595 25.21880 71.02328 32.94345 1.482666       41.48806 
1 1 1 0   33 8  o 255.4058 9.364785 1926.598       140.0371 1911.907       151.5769 2012.213       365.9094 254.2630 10.18542 255.7522 24.70223 -1.489136      26.71971 
1 1 1 0   33 9  o 96.74272 21.47983 293.6577       118.6945 331.6541       126.5268 14.94603       342.6800 102.8868 21.65512 85.48371 37.04162 17.40305       42.90718 
1 1 1 0   33 10 o 205.8746 10.16626 1255.165       122.3684 1222.909       130.8570 1479.865       345.3781 203.0288 11.03121 217.2125 27.74436 -14.18370      29.85695 
1 1 1 0   33 11 o 379.2529 7.953772 4237.868       176.9101 4368.545       207.4153 3889.023       338.8886 384.7491 9.192055 360.3394 16.07643 24.40964       18.51879 
1 1 1 0   33 12 o 161.0338 14.80306 779.5378       138.2408 725.5952       158.6049 950.0710       282.0040 154.4557 17.83631 172.5942 28.87930 -18.13855      33.94330 
1 1 1 0   33 13 o 188.2264 10.45530 1051.219       114.9629 1085.814       127.4774 900.5221       266.0619 191.0928 11.42685 168.1918 27.95371 22.90100       30.19905 
1 1 1 0   33 14 f 274.3607 8.047447 2221.147       129.3484 2211.752       148.9071 2250.031       261.0865 273.4948 9.297106 273.5054 16.35141 -0.1065063E-01 18.80970 
1 1 1 0   33 15 o 75.34358 22.70860 176.2201       108.6179 195.8970       114.3699 -4.772084      346.8671 79.05992 23.17382 83.77376 36.76436 -4.713837      43.45853 
1 1 1 0   33 16 o 306.1634 8.745352 2769.744       156.8685 2867.656       171.0333 2251.000       393.6765 311.3560 9.377093 268.4864 25.29979 42.86954       26.98165 
1 1 1 0   33 17 o 262.9384 8.475709 2043.191       130.5307 2069.106       157.1527 1985.537       234.3999 264.1560 10.16299 256.8187 15.63663 7.337280       18.64915 
1 1 1 0   33 18 o 224.9818 8.959374 1498.666       117.9794 1543.620       148.1129 1420.628       195.1454 227.7499 11.12243 216.9912 15.43513 10.75862       19.02502 
1 1 1 0   33 19 o 47.25935 19.72987 18.88255       91.12833 12.92032       128.4279 24.92851       129.3266 54.15269 23.05555 55.59295 23.37591 -1.440262      32.83278 
1 1 1 0   33 20 o 153.7214 14.74465 716.8729       131.3010 706.5268       139.2619 799.6816       393.9885 152.2149 15.83101 146.7242 43.01250 5.490768       45.83335 
1 1 1 0   33 21 o 191.9218 8.803336 1093.610       98.82432 1107.510       141.2481 1080.282       138.3155 191.9035 12.62020 189.5609 12.51142 2.342682       17.77091 
1 1 1 0   33 22 o 106.2813 12.40838 343.1317       75.88969 251.9607       128.8891 391.5117       93.89034 87.42793 24.27620 112.9410 14.50967 -25.51303      28.28187 
1 1 1 0   33 23 o 126.7083 10.01986 481.5209       73.85332 491.7667       125.7235 476.1226       91.25835 125.2718 17.59694 125.1906 12.60063 0.8118439E-01  21.64320 
1 1 1 0   33 24 o 235.2116 7.533323 1640.652       103.7852 1568.534       140.0471 1728.509       154.5748 228.7923 10.46487 239.9245 11.01472 -11.13222      15.19334 
1 1 1 0   33 25 o 109.8745 10.54297 364.7456       67.10497 283.5724       121.5846 400.3038       80.47153 92.16222 22.65665 114.6154 12.15665 -22.45321      25.71202 
1 1 1 0   33 26 o 204.8428 6.961992 1244.116       83.51665 1240.579       85.52795 1316.678       387.3849 204.4921 7.142467 186.2584 36.76877 18.23375       37.45607 
1 1 1 0   33 27 o 88.52560 12.41335 241.6893       62.67926 254.8307       63.51185 -249.7031      388.3731 91.01064 12.20655 70.30022 33.57966 20.71041       35.72945 
1 1 1 0   33 28 o 89.52419 13.23476 249.3707       67.39593 246.8774       68.42186 330.6499       390.6532 88.95100 13.54259 96.07948 40.52644 -7.128471      42.72931 
1 1 1 0   33 29 o 40.08938 16.80908 15.87297       66.57665 11.07814       67.62372 167.1214       379.8023 39.63286 16.79611 85.14408 37.86420 -45.51122      41.42230 
1 1 1 0   33 30 o 30.99420 14.66836 -73.44622      70.75108 -63.39875      71.80179 -409.2346      415.0876 32.17024 15.08549 65.86452 32.21950 -33.69428      35.57623 
1 1 1 0   33 31 o 118.5932 12.71887 435.6779       87.08202 442.8576       89.11305 283.5342       410.2173 119.4745 12.92338 90.22775 39.77474 29.24675       41.82157 
1 1 1 0   33 32 o 67.37996 20.66103 153.8512       89.39127 147.9511       91.62678 270.3575       407.1622 66.22067 21.01328 88.06331 39.18084 -21.84264      44.46005 
1 1 1 0   33 33 o 60.07665 21.39081 115.0482       94.87982 118.2974       97.50858 57.21262       411.3886 60.79355 21.68091 77.81026 36.36463 -17.01672      42.33732 
1 1 1 0   33 34 o 68.96306 21.60854 164.7426       97.17868 177.4874       99.54663 -93.62697      448.2097 71.30493 21.79140 73.93922 35.51799 -2.634285      41.67005 
1 1 1 0   33 35 o 60.89661 21.81099 120.8690       98.79024 123.2178       100.8445 64.97427       491.9479 61.39588 22.03101 79.49326 37.92172 -18.09738      43.85684 
1 1 1 0   33 36 o 110.9015 16.73866 403.3901       105.4836 399.3286       108.0208 486.8163       489.5641 109.9323 17.32762 93.76672 42.24365 16.16562       45.65931 
1 1 1 0   33 37 o 53.15617 22.09857 58.62152       113.6266 80.03876       116.4774 -362.9234      516.7514 56.11086 22.74164 68.88802 34.12439 -12.77716      41.00800 
1 1 1 0   34 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   34 1  o 211.9028 11.03443 1331.398       136.6590 1316.930       144.2138 1458.731       427.8373 210.5961 11.72258 211.6518 35.73848 -1.055725      37.61193 
1 1 1 0   34 2  o 60.68108 26.67868 -32.26933      183.4180 -32.26933      183.4180 0.000000       0.000000 60.68108 26.67868 ?        ?        0.000000       26.67868 
1 1 1 0   34 3  o 210.1496 11.08306 1309.865       136.1134 1267.173       145.0502 1624.649       393.8654 206.4777 12.03039 226.4313 30.42883 -19.95352      32.72070 
1 1 1 0   34 4  o 123.2350 18.18975 464.9756       127.5184 406.5318       136.6767 857.7529       354.3223 114.2404 21.17941 159.9327 38.28491 -45.69230      43.75274 
1 1 1 0   34 5  o 180.3943 12.41634 969.4754       130.5600 1010.231       143.1114 767.2266       318.8036 183.9407 13.35719 151.8462 36.29352 32.09453       38.67343 
1 1 1 0   34 6  o 228.2056 10.25888 1542.226       136.9509 1555.006       149.7649 1476.986       338.3815 228.9397 11.18808 217.0906 27.17099 11.84917       29.38428 
1 1 1 0   34 7  o 189.1304 11.99974 1064.606       132.4154 1071.977       143.4306 1022.069       344.5498 189.5507 12.98061 176.4240 34.53673 13.12672       36.89555 
1 1 1 0   34 8  o 318.8794 8.897729 3002.512       166.2384 2936.808       179.6978 3392.485       437.7873 315.1539 9.733983 332.9025 22.55630 -17.74854      24.56699 
1 1 1 0   34 9  o 126.5104 17.24628 488.6298       124.6311 439.8113       132.6493 856.2090       363.9890 119.2137 19.65719 158.4752 39.34523 -39.26144      43.98240 
1 1 1 0   34 10 o 281.8500 8.846106 2346.725       146.0436 2421.065       157.5526 1892.935       389.2611 286.1483 9.400997 245.2953 27.53308 40.85303       29.09380 
1 1 1 0   34 11 o 293.1030 8.675319 2537.381       148.9629 2622.068       159.8736 1979.699       410.2642 297.8353 9.163618 250.1334 28.47298 47.70189       29.91124 
1 1 1 0   34 12 o 287.4608 8.281182 2439.515       139.4661 2524.953       156.9641 2119.123       303.9579 292.2349 9.169712 263.7180 19.79726 28.51691       21.81777 
1 1 1 0   34 13 o 62.74409 23.03600 100.5036       111.1069 118.5204       116.2212 -90.79882      378.7104 66.14333 23.66092 82.48158 37.15740 -16.33825      44.05124 
1 1 1 0   34 14 o 110.1999 22.67721 385.1562       141.6716 347.0146       158.7852 534.0368       313.7112 103.6102 26.13732 125.1186 38.76558 -21.50839      46.75393 
1 1 1 0   34 15 o 108.4690 18.25564 364.9684       112.0123 227.6330       128.3752 803.0383       229.2776 84.56689 24.48460 158.9083 25.46106 -74.34142      35.32367 
1 1 1 0   34 16 o 183.2015 12.25539 1003.840       130.9187 1026.473       139.4096 834.8344       380.9530 185.0625 12.92596 152.6742 41.47712 32.38823       43.44459 
1 1 1 0   34 17 o 146.4273 12.78971 644.7889       108.7319 637.2008       128.9714 663.4360       202.1774 144.7460 15.43037 143.8822 24.85799 0.8637543      29.25775 
1 1 1 0   34 18 o 116.7321 15.07803 416.7707       100.8164 421.3363       124.7962 408.1934       171.0517 116.0418 18.99386 111.2884 26.57498 4.753410       32.66491 
1 1 1 0   34 19 o 36.72829 17.02351 -67.68540      87.26813 -180.6341      119.5648 61.08446       127.6645 37.13266 17.96310 59.02119 23.84930 -21.88853      29.85736 
1 1 1 0   34 20 o 275.6353 7.484019 2248.170       120.8699 2535.804       162.2446 1889.430       181.1924 291.9583 9.488032 250.7007 12.36162 41.25758       15.58308 
1 1 1 0   34 21 o 131.1436 10.38996 516.3516       79.25932 417.2718       117.9375 597.9571       107.0334 115.0650 18.07160 140.2404 13.16758 -25.17537      22.35996 
1 1 1 0   34 22 o 76.56608 15.40891 184.9118       66.79433 129.1609       116.3663 212.3063       81.57043 66.20286 23.67644 81.46352 17.58905 -15.26066      29.49488 
1 1 1 0   34 23 o 156.5630 8.762349 731.5089       80.13530 592.2531       121.1985 839.6750       106.8160 138.3820 15.18272 166.9722 10.96866 -28.59021      18.73036 
1 1 1 0   34 24 o 124.0578 9.701010 462.5458       70.02071 311.1070       112.2769 558.9327       89.57382 97.51561 20.29330 135.8624 11.34515 -38.34682      23.24931 
1 1 1 0   34 25 o 201.7508 10.07708 1222.305       118.8567 1201.067       125.6479 1402.996       366.4886 199.6533 10.77058 196.0562 33.04736 3.597092       34.75821 
1 1 1 0   34 26 o 72.50980 12.75509 164.0972       52.26186 167.3005       52.79436 7.697664       368.8939 73.23000 12.75603 78.33404 35.82870 -5.104034      38.03172 
1 1 1 0   34 27 o 136.0267 8.193114 553.5868       65.05875 548.2690       66.17278 707.5488       356.0558 135.3077 8.379978 125.4544 41.55135 9.853340       42.38795 
1 1 1 0   34 28 o 79.17801 14.00415 198.1245       62.65114 208.5191       63.52340 -172.6003      379.3629 81.35150 13.80740 70.36607 33.49274 10.98544       36.22717 
1 1 1 0   34 29 o 67.84611 16.86648 150.8949       66.82442 158.5480       67.71502 -134.3219      413.3846 69.58173 16.78806 73.48544 34.97321 -3.903709      38.79387 
1 1 1 0   34 30 o 112.4077 11.39222 388.1248       74.06666 398.9526       75.26434 56.00879       416.8362 113.9689 11.41379 79.64919 37.01602 34.31969       38.73578 
1 1 1 0   34 31 o 64.85435 19.13595 141.1204       77.76862 129.2692       79.11072 481.5452       423.9989 62.33298 19.49147 99.14050 42.03798 -36.80752      46.33691 
1 1 1 0   34 32 o 182.1035 9.631136 1004.588       102.4942 1036.432       106.1708 568.5503       392.8752 184.8525 9.828634 103.9474 41.89645 80.90511       43.03388 
1 1 1 0   34 33 o 93.76432 15.86221 285.3698       84.11977 274.5759       85.67377 574.8389       443.6691 91.55077 16.56611 101.5180 43.02217 -9.967232      46.10144 
1 1 1 0   34 34 o 53.51442 19.84901 85.05048       82.85266 81.29426       84.05883 213.1271       490.8427 52.99029 19.92474 83.92509 39.38261 -30.93481      44.13598 
1 1 1 0   34 35 o 62.64829 21.14391 133.3242       92.13641 134.6889       93.53516 88.71621       534.7657 62.92705 21.30357 80.52679 38.71185 -17.59974      44.18653 
1 1 1 0   34 36 o 39.09848 18.26609 -67.87917      103.6438 -65.91301      105.3823 -125.9977      572.9490 39.61554 18.47823 75.73590 37.21276 -36.12036      41.54797 
1 1 1 0   35 1  o 266.7465 14.21775 2126.236       221.6198 2126.236       221.6198 0.000000       0.000000 266.7465 14.21775 ?        ?        0.000000       14.21775 
1 1 1 0   35 2  o 394.9582 8.849081 4603.320       204.9745 4656.151       225.4379 4351.306       492.3746 396.9710 9.683169 377.0590 22.36616 19.91202       24.37230 
1 1 1 0   35 3  o 209.3932 12.25292 1305.744       149.8135 1305.744       149.8135 0.000000       0.000000 209.3932 12.25292 ?        ?        0.000000       12.25292 
1 1 1 0   35 4  o 220.2872 10.81557 1440.051       139.3027 1321.351       148.3732 2322.797       404.6202 210.6836 12.05846 273.1940 25.55014 -62.51036      28.25272 
1 1 1 0   35 5  o 80.43431 25.15907 199.9325       131.7961 199.9325       131.7961 0.000000       0.000000 80.43431 25.15907 ?        ?        0.000000       25.15907 
1 1 1 0   35 6  o 128.2579 16.81616 501.6394       123.4477 497.9312       133.1968 524.2245       328.7207 127.3156 18.36929 124.8359 39.82290 2.479637       43.85538 
1 1 1 0   35 7  o 262.3528 9.689280 2037.285       148.8268 2161.964       161.7848 1351.168       379.5251 270.1289 10.23061 203.5297 32.91846 66.59914       34.47159 
1 1 1 0   35 8  o 139.0896 16.18460 587.4509       129.5591 683.9598       139.1869 -38.63066      354.5113 150.2529 16.04312 82.67371 36.68406 67.57924       40.03876 
1 1 1 0   35 9  o 67.38503 24.67028 118.2577       127.2906 95.90948       136.0471 275.2907       360.6317 65.45587 25.17213 103.4326 40.64140 -37.97672      47.80544 
1 1 1 0   35 10 o 199.6385 11.27671 1185.874       131.4946 1197.092       140.7625 1109.002       368.4808 200.3837 12.03315 181.8314 35.82856 18.55229       37.79527 
1 1 1 0   35 11 o 262.1992 9.324656 2035.008       143.1604 2063.713       153.9296 1851.131       389.5908 263.8696 9.964678 241.1944 28.06532 22.67525       29.78182 
1 1 1 0   35 12 o 199.2470 10.90265 1181.184       126.9159 1205.701       140.1464 1069.420       299.2291 201.0230 11.94117 181.8572 29.03143 19.16582       31.39133 
1 1 1 0   35 13 o 179.5223 11.68664 962.3170       122.3747 969.1152       135.1695 931.4218       288.1559 179.8074 12.90381 168.4841 30.27481 11.32330       32.91007 
1 1 1 0   35 14 o 144.2155 13.76282 627.8147       114.9945 568.7676       128.5155 864.9672       257.5550 136.3823 16.39586 163.1784 27.91540 -26.79613      32.37428 
1 1 1 0   35 15 o 64.23937 23.58332 109.0163       116.4461 76.05234       122.0815 441.5422       387.7417 60.36793 23.66834 115.1038 42.89226 -54.73587      48.98914 
1 1 1 0   35 16 o 223.5060 9.345951 1483.687       122.2373 1392.068       134.9324 1902.998       288.6638 216.0617 10.68160 247.7964 20.03377 -31.73462      22.70349 
1 1 1 0   35 17 o 110.6582 16.11879 378.9714       101.5365 367.9659       119.9797 406.7439       190.5937 107.6787 19.72554 109.4146 29.17076 -1.735893      35.21407 
1 1 1 0   35 18 o 79.27454 24.82001 203.5133       128.2362 87.67802       192.6813 295.6173       171.8140 70.17159 28.93765 93.64016 28.63087 -23.46857      40.70768 
1 1 1 0   35 19 o 51.00909 19.96406 55.01767       86.73098 98.00447       112.7429 -7.302017      135.7483 61.32788 23.07189 52.68425 23.06321 8.643631       32.62245 
1 1 1 0   35 20 o 302.1992 7.093297 2702.135       125.7164 2674.643       156.8106 2751.594       210.3283 299.7487 8.930017 302.3042 11.88640 -2.555573      14.86714 
1 1 1 0   35 21 o 186.6062 8.131963 1035.849       88.78265 966.8918       120.5970 1117.447       131.1855 178.9809 11.55059 192.3999 11.68104 -13.41899      16.42751 
1 1 1 0   35 22 o 93.10620 12.53708 266.4463       66.72005 314.0504       107.2308 236.3744       85.22705 98.48318 19.25582 85.81902 17.52657 12.66417       26.03781 
1 1 1 0   35 23 o 70.69067 15.10407 158.8040       60.71798 84.75443       105.1215 195.8765       74.37999 57.77501 22.15025 78.13483 16.73572 -20.35983      27.76180 
1 1 1 0   35 24 o 148.8426 8.524584 662.3347       74.10217 801.6971       115.8029 565.7013       96.42955 162.2022 12.26428 136.1348 12.20733 26.06741       17.30409 
1 1 1 0   35 25 o 58.23767 16.65705 109.1226       59.75787 -84.04739      108.8995 192.3517       71.48149 40.02939 18.70837 77.28141 16.28584 -37.25202      24.80386 
1 1 1 0   35 26 o 151.1068 7.471726 680.8130       66.00948 677.2883       67.32198 768.5767       335.9285 150.6561 7.644364 132.6406 39.92654 18.01552       40.65176 
1 1 1 0   35 27 o 33.22378 14.49567 -5.065605      53.23655 -9.217751      53.89700 161.2470       341.1072 32.82236 14.44507 82.23660 36.26022 -49.41424      39.03157 
1 1 1 0   35 28 o 102.3862 10.24325 319.4078       60.68280 324.1762       61.51317 146.3581       370.5696 103.1301 10.30824 82.02986 36.87169 21.10025       38.28552 
1 1 1 0   35 29 o 91.70307 11.71763 260.3954       61.58158 263.1033       62.29981 144.9838       406.7263 92.15259 11.79757 82.44137 37.67465 9.711220       39.47862 
1 1 1 0   35 30 o 58.98001 17.34317 114.6476       63.97110 111.0470       64.72613 266.2877       420.0459 58.12982 17.53200 87.32968 39.25480 -29.19986      42.99197 
1 1 1 0   35 31 o 31.06411 14.59546 -60.18048      67.78498 -78.32883      68.63914 655.4266       431.0131 29.76210 14.18866 107.5673 43.69176 -77.80522      45.93787 
1 1 1 0   35 32 o 166.5449 8.475846 835.4445       82.51532 816.2996       83.88982 1405.359       457.7071 164.4905 8.727200 162.2034 46.00302 2.287125       46.82352 
1 1 1 0   35 33 o 108.6455 12.96583 371.3058       80.98702 370.1971       81.94776 417.7606       530.4481 108.3718 13.16308 91.05493 42.12216 17.31686       44.13097 
1 1 1 0   35 34 o 56.80451 19.54395 105.0948       78.78025 107.1032       79.65525 15.17982       532.9686 57.24038 19.65370 78.44649 37.94320 -21.20610      42.73118 
1 1 1 0   35 35 o 82.15833 17.34324 226.9810       80.93847 219.0955       81.80792 592.0571       556.6371 80.41149 17.81626 94.95538 43.64606 -14.54388      47.14231 
1 1 1 0   36 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   36 1  o 76.22171 24.40227 177.6279       123.3452 237.1051       131.2732 -270.6405      360.3879 86.38705 24.68167 72.38441 33.89603 14.00263       41.93001 
1 1 1 0   36 2  o 292.1273 9.097758 2523.501       155.6780 2619.949       170.1843 2029.010       385.3462 297.4742 9.768078 254.1917 26.22473 43.28242       27.98485 
1 1 1 0   36 3  o 125.3900 18.82561 485.2520       134.1690 485.2520       134.1690 0.000000       0.000000 125.3900 18.82561 ?        ?        0.000000       18.82561 
1 1 1 0   36 4  o 201.5390 11.21093 1208.360       131.9886 1201.772       141.0466 1254.768       374.3455 200.7693 12.03407 194.8084 34.00156 5.960907       36.06834 
1 1 1 0   36 5  o 75.08746 25.21417 167.8987       131.0296 167.8987       131.0296 0.000000       0.000000 75.08746 25.21417 ?        ?        0.000000       25.21417 
1 1 1 0   36 6  o 116.2889 19.10468 419.7678       125.7746 483.8067       133.8361 -64.28173      367.9562 125.1192 18.82136 82.32914 36.89469 42.79008       41.41813 
1 1 1 0   36 7  o 88.87460 23.82102 252.8432       126.6787 207.3606       136.2362 543.3071       344.2833 81.47361 25.59311 125.5562 40.81938 -44.08260      48.17913 
1 1 1 0   36 8  o 167.2515 13.79906 841.2427       134.1505 817.7780       144.7788 983.6859       356.7120 164.4578 15.18195 169.4510 36.93883 -4.993149      39.93706 
1 1 1 0   36 9  o 179.2976 12.50244 962.3580       130.6442 865.6521       137.9724 1800.858       406.2723 169.5605 13.99910 235.6589 30.08042 -66.09837      33.17841 
1 1 1 0   36 10 o 168.5967 13.33523 854.4478       130.7830 854.4478       130.7830 0.000000       0.000000 168.5967 13.33523 ?        ?        0.000000       13.33523 
1 1 1 0   36 11 o 74.03303 23.21753 170.7479       112.1647 132.6558       117.7677 542.7319       368.0197 68.08379 23.86850 123.9435 42.25320 -55.85973      48.52873 
1 1 1 0   36 12 o 63.73299 23.01211 110.6208       110.2258 153.9521       120.6135 -108.9325      271.4968 71.59488 24.19172 67.60225 30.85041 3.992630       39.20443 
1 1 1 0   36 13 f 41.12893 18.97516 -74.36151      106.5951 -35.14480      115.6854 -294.8887      274.3306 46.61174 20.80208 59.08779 28.22341 -12.47606      35.06120 
1 1 1 0   36 14 o 32.68119 15.97451 -182.7642      101.4525 -267.5601      111.8745 209.7893       240.7097 31.31960 15.57620 86.76267 33.45226 -55.44307      36.90084 
1 1 1 0   36 15 o 265.0372 8.196974 2082.329       127.2590 2027.234       147.4449 2243.237       251.9775 260.9604 9.650577 271.1135 15.91750 -10.15305      18.61452 
1 1 1 0   36 16 o 50.82719 20.60530 42.28262       95.64893 34.23571       111.0651 65.38430       188.1848 52.62999 21.86125 67.36920 28.25457 -14.73921      35.72443 
1 1 1 0   36 17 o 294.7242 7.643203 2574.432       132.0003 2699.761       159.7045 2304.215       234.5026 301.1779 9.051837 274.9759 14.59354 26.20197       17.17286 
1 1 1 0   36 18 o 105.3316 16.15116 347.4012       96.59532 340.0192       109.5874 373.1144       204.5274 103.0745 18.82170 102.4135 31.22312 0.6609421      36.45737 
1 1 1 0   36 19 o 81.79178 20.83969 220.2348       100.2356 393.9231       138.1826 27.35001       145.6186 109.2051 22.32957 57.20735 24.45866 51.99776       33.11851 
1 1 1 0   36 20 o 58.08359 19.46657 103.0602       78.10484 62.48774       105.4334 152.4053       116.2745 54.76771 21.82989 69.44962 23.74842 -14.68191      32.25727 
1 1 1 0   36 21 o 70.95351 17.21694 162.6133       70.90691 211.2101       103.8992 120.2475       97.00992 79.60172 21.67585 62.66618 21.68203 16.93554       30.65865 
1 1 1 0   36 22 o 162.1577 8.469316 785.4883       80.26540 850.1494       113.3242 720.3958       113.7016 167.3915 11.61559 153.4990 12.74506 13.89244       17.24408 
1 1 1 0   36 23 o 35.69299 15.25705 3.727448       56.64017 -149.3484      96.04253 85.35632       70.13457 32.70476 15.88638 53.41346 18.43774 -20.70870      24.33778 
1 1 1 0   36 24 o 110.3191 10.06371 368.9082       64.39555 347.8446       98.63084 384.5581       85.01637 104.2317 16.69830 111.3530 13.27957 -7.121353      21.33495 
1 1 1 0   36 25 o 114.8029 14.65804 413.8881       96.44334 375.1880       100.1687 905.3311       356.9543 108.4271 16.25247 143.1813 40.63136 -34.75426      43.76129 
1 1 1 0   36 26 o 81.76541 10.81302 205.5794       50.58240 219.3571       51.07965 -491.7587      363.3965 84.60116 10.52158 59.00084 29.11425 25.60032       30.95712 
1 1 1 0   36 27 o 87.37385 10.29762 233.7295       51.75547 230.4778       52.31087 384.4246       356.1120 86.68373 10.50375 94.83293 39.24621 -8.149200      40.62750 
1 1 1 0   36 28 o 43.14695 21.09926 -259.5469      177.5510 -248.7323      198.5147 -302.7907      396.9626 46.79004 22.75381 65.76215 32.02409 -18.97212      39.28458 
1 1 1 0   36 29 o 191.2900 17.43936 1186.341       193.4979 1324.361       218.0121 674.0738       420.0082 200.7297 18.73545 109.9770 43.65684 90.75263       47.50723 
1 1 1 0   36 30 o 97.12270 29.23336 371.7518       180.0905 397.3496       196.6149 238.3818       448.7908 99.09161 30.68744 85.37256 39.22268 13.71906       49.80099 
1 1 1 0   36 31 o 46.96970 22.55826 -170.3700      180.5958 -204.5892      195.7678 25.07996       467.8685 47.64718 23.03396 77.48125 36.96747 -29.83408      43.55637 
1 1 1 0   36 32 o 94.15803 31.16836 371.2358       200.3517 415.9486       219.3588 146.2517       492.0569 98.10207 32.61795 81.22427 38.51173 16.87779       50.46865 
1 1 1 0   36 33 o 59.73023 27.03549 13.16803       203.2694 117.6088       220.4212 -580.6549      525.5897 68.45359 29.68485 65.59219 32.79845 2.861397       44.23718 
1 1 1 0   37 1  o 347.1375 10.87234 3581.154       221.0749 3513.434       264.2736 3739.014       403.4884 342.7762 13.17047 349.4488 19.76841 -6.672577      23.75397 
1 1 1 0   37 2  o 202.8952 11.34523 1227.324       134.4629 1072.419       142.5985 2469.860       403.8647 189.1445 12.93277 280.3000 24.82397 -91.15547      27.99082 
1 1 1 0   37 3  o 187.1734 12.35018 1048.441       134.8137 976.8793       142.6640 1645.520       412.0885 180.2586 13.59505 223.0882 32.44698 -42.82956      35.17999 
1 1 1 0   37 4  o 312.0995 9.103466 2884.488       166.4509 2884.571       181.1392 2884.038       421.9670 311.8200 9.917693 303.5448 23.89566 8.275238       25.87206 
1 1 1 0   37 5  o 139.5692 17.20485 597.8900       137.8512 597.8900       137.8512 0.000000       0.000000 139.5692 17.20485 ?        ?        0.000000       17.20485 
1 1 1 0   37 6  o 186.7797 12.34414 1044.989       134.4619 970.9277       143.3273 1588.711       388.3478 179.5661 13.71362 219.6377 31.01013 -40.07162      33.90710 
1 1 1 0   37 7  o 219.3860 14.33532 1450.894       183.4347 1433.641       208.1812 1510.796       387.9146 217.1335 16.47084 213.0638 32.03445 4.069717       36.02075 
1 1 1 0   37 8  o 81.18198 25.13634 210.1710       131.9236 210.1710       131.9236 0.000000       0.000000 81.18198 25.13634 ?        ?        0.000000       25.13634 
1 1 1 0   37 9  o 92.23331 21.74676 274.1451       115.7052 308.1839       122.4024 -11.62485      354.6587 97.83514 21.88165 81.80178 36.47033 16.03336       42.53106 
1 1 1 0   37 10 f 109.7029 17.76871 376.0017       110.4135 357.6701       115.9055 555.8036       362.9949 106.3849 19.28693 122.8105 41.96157 -16.42567      46.18181 
1 1 1 0   37 11 o 137.5194 13.68390 574.5530       108.9004 560.1434       114.1617 720.1622       362.9008 135.4448 14.60216 137.6573 41.51217 -2.212479      44.00549 
1 1 1 0   37 12 o 106.4080 16.95938 353.8030       102.2866 405.3459       110.7744 55.60358       266.4457 113.9899 17.09665 75.81451 32.75706 38.17538       36.95025 
1 1 1 0   37 13 o 226.9121 9.092193 1532.314       120.7526 1582.112       134.3584 1323.121       275.3817 230.2343 9.974144 202.5087 23.63039 27.72562       25.64915 
1 1 1 0   37 14 f 71.36045 21.79698 163.9024       99.61450 134.9564       110.1074 294.4272       233.8131 66.76536 23.09942 93.48441 33.54607 -26.71905      40.72987 
1 1 1 0   37 15 o 195.1212 10.31368 1140.768       117.6044 1190.837       123.5458 657.4438       383.8499 199.2449 10.61107 126.6571 43.15289 72.58782       44.43835 
1 1 1 0   37 16 o 247.1522 8.027992 1814.803       116.2105 1854.736       137.0956 1712.863       219.0423 249.2638 9.394892 235.6478 15.94331 13.61598       18.50549 
1 1 1 0   37 17 o 180.1478 9.739464 972.1339       102.5172 954.3513       118.8848 1023.707       202.4598 177.7698 11.46409 179.3700 19.56260 -1.600220      22.67423 
1 1 1 0   37 18 o 58.02757 20.48368 98.84479       86.84146 60.07434       99.78436 219.8912       176.3145 53.50925 21.26688 81.60751 29.14858 -28.09827      36.08212 
1 1 1 0   37 19 o 187.9947 8.677000 1055.165       95.40977 1082.922       114.1890 990.9711       173.6538 189.7712 10.29849 177.8637 16.84826 11.90752       19.74646 
1 1 1 0   37 20 o 61.59539 19.52195 121.1973       79.10336 78.41251       102.9516 182.8596       123.5943 56.35389 21.83709 74.18893 24.47712 -17.83504      32.80225 
1 1 1 0   37 21 o 165.9093 9.833559 828.5646       95.25320 738.1553       127.3147 943.5192       143.5605 154.4000 14.21945 174.7519 14.12792 -20.35187      20.04473 
1 1 1 0   37 22 o 30.19524 14.11923 -54.01245      62.15328 -77.75920      95.54575 -36.59218      81.83454 37.30538 17.46402 37.51911 17.05016 -0.2137260     24.40697 
1 1 1 0   37 23 o 114.9509 10.22410 401.0795       68.20840 289.8523       98.75583 502.5381       94.31950 93.91400 18.58824 127.6214 12.77311 -33.70744      22.55383 
1 1 1 0   37 24 o 62.01505 15.24737 124.4618       55.05996 -2.712232      92.11156 195.1651       68.68069 43.39229 18.99675 77.82931 15.59058 -34.43702      24.57524 
1 1 1 0   37 25 o 150.4600 10.59964 688.5212       92.93394 688.1258       96.58872 693.4512       341.0664 150.1886 11.04297 121.5049 40.67835 28.68378       42.15063 
1 1 1 0   37 26 o 109.4822 28.23863 451.8827       182.5015 579.6052       208.0212 25.02847       380.2888 123.6411 29.16354 75.84583 35.28494 47.79528       45.77705 
1 1 1 0   37 27 o 100.5711 29.77563 397.1037       188.0270 550.0141       213.5520 -130.2963      396.6023 118.2346 30.57237 70.52954 33.75537 47.70510       45.54223 
1 1 1 0   37 28 o 148.8426 20.77090 750.7909       176.3834 877.7258       196.8620 234.1343       397.1663 160.3448 21.47354 84.21769 37.98567 76.12711       43.63512 
1 1 1 0   37 29 o 55.25832 24.83103 -1.590950      167.9296 154.0853       181.8777 -901.3680      437.2559 70.15535 28.42365 55.66352 28.10596 14.49183       39.97310 
1 1 1 0   37 30 f 54.76195 24.91493 -17.58339      175.3764 75.30656       189.8272 -558.9392      458.2638 63.20375 27.47690 62.46105 31.13822 0.7427063      41.52793 
1 1 1 0   37 31 o 181.0134 18.55739 1089.783       194.2193 1198.388       212.0135 523.0505       484.3156 188.8384 19.42008 95.01011 42.47102 93.82827       46.70039 
1 1 1 0   37 32 o 45.77010 22.44547 -278.0095      205.2824 -193.1166      223.7640 -729.1699      515.8460 51.35758 24.77791 62.42339 31.39172 -11.06581      39.99231 
1 1 1 0   38 0  o 209.6064 16.15648 1317.828       197.0786 1317.828       197.0786 0.000000       0.000000 209.6064 16.15648 ?        ?        0.000000       16.15648 
1 1 1 0   38 1  o 117.1128 19.29848 431.2872       127.9365 431.2872       127.9365 0.000000       0.000000 117.1128 19.29848 ?        ?        0.000000       19.29848 
1 1 1 0   38 2  o 169.5295 12.94791 866.2549       127.7606 901.8043       137.6498 645.1767       343.2674 172.7155 13.70139 132.0844 40.48483 40.63113       42.74049 
1 1 1 0   38 3  o 206.4387 10.69272 1272.248       129.0170 1251.813       137.2471 1427.469       378.2619 204.4899 11.49029 204.9628 32.55514 -0.4728699     34.52338 
1 1 1 0   38 4  o 42.24818 19.68837 -96.98621      119.2046 -96.98621      119.2046 0.000000       0.000000 42.24818 19.68837 ?        ?        0.000000       19.68837 
1 1 1 0   38 5  o 78.94732 23.90747 201.0328       120.1875 223.6816       126.5550 -7.201612      383.7366 82.86584 24.40077 83.88138 37.62714 -1.015541      44.84639 
1 1 1 0   38 6  o 248.7920 9.806583 1843.286       142.8082 1849.338       152.7723 1801.381       402.0136 248.9275 10.48806 231.6245 30.32149 17.30305       32.08414 
1 1 1 0   38 7  o 193.3577 11.86719 1123.461       133.9253 1123.461       133.9253 0.000000       0.000000 193.3577 11.86719 ?        ?        0.000000       11.86719 
1 1 1 0   38 8  o 178.8024 11.93308 962.2152       124.4181 1026.895       132.5994 486.0612       359.7756 184.5845 12.31938 114.5551 41.54551 70.02940       43.33355 
1 1 1 0   38 9  o 52.36251 21.72161 34.70444       109.4480 21.90488       114.8878 160.3436       359.9474 51.86567 21.93234 89.89077 38.44377 -38.02510      44.26004 
1 1 1 0   38 10 o 136.5277 13.64039 568.8354       107.7585 611.4000       113.3328 167.7991       347.8754 141.5108 13.83218 89.09431 37.93906 52.41652       40.38195 
1 1 1 0   38 11 o 54.59382 21.55635 62.82614       101.8949 66.53085       106.2296 20.19049       360.3751 55.79010 22.01587 81.21349 36.44446 -25.42339      42.57813 
1 1 1 0   38 12 o 207.8878 9.481699 1290.694       115.2977 1245.224       126.2357 1519.492       283.1690 203.7242 10.60196 216.8800 22.59345 -13.15587      24.95727 
1 1 1 0   38 13 o 187.3544 10.47228 1053.803       114.6103 1165.471       127.4121 580.3790       262.3445 196.7879 11.08463 124.6648 34.64150 72.12310       36.37172 
1 1 1 0   38 14 o 65.82531 21.77411 136.5596       97.78419 130.9216       107.8775 162.5296       231.5294 65.49292 22.85244 79.09529 32.06088 -13.60237      39.37174 
1 1 1 0   38 15 o 152.9986 10.75453 705.8544       95.88577 752.0043       108.8396 545.8578       202.6547 157.4781 11.87206 124.6934 28.35490 32.78476       30.73997 
1 1 1 0   38 16 o 218.6863 8.554656 1426.059       109.5055 1528.145       129.2749 1166.734       206.0415 225.8169 9.784508 191.9476 18.53318 33.86932       20.95746 
1 1 1 0   38 17 o 131.8976 12.31400 531.2144       94.15397 488.9988       107.9858 665.0642       192.2821 125.3222 14.98917 140.5410 24.20155 -15.21881      28.46735 
1 1 1 0   38 18 o 140.3283 11.16384 597.4825       91.12072 628.1051       105.7876 509.4436       179.3706 143.1943 12.72927 121.0016 26.04776 22.19263       28.99172 
1 1 1 0   38 19 o 179.3682 9.036170 964.5767       94.75000 1045.894       113.4490 777.0574       172.2785 186.1224 10.43504 154.9525 19.38017 31.16988       22.01093 
1 1 1 0   38 20 o 50.32684 18.83468 67.31289       74.92672 128.7070       93.36138 -43.78639      125.5913 63.30007 21.28375 46.48169 21.12277 16.81838       29.98616 
1 1 1 0   38 21 o 176.1532 8.219317 928.2216       84.67938 890.3185       106.8717 992.1570       138.8024 171.3495 10.68801 179.3380 13.29144 -7.988464      17.05568 
1 1 1 0   38 22 o 82.56972 14.57545 216.8444       68.00221 179.3628       95.99106 254.6063       96.34924 72.65792 21.21178 87.35000 19.32062 -14.69208      28.69192 
1 1 1 0   38 23 o 127.6478 9.214507 491.8668       68.51775 432.3593       92.94680 562.6931       101.4018 117.5980 13.73507 134.7424 12.99283 -17.14444      18.90677 
1 1 1 0   38 24 o 55.00872 16.05041 98.15324       54.97361 -54.66729      90.76614 186.6892       69.08645 37.75521 17.45099 75.65908 16.06664 -37.90387      23.72075 
1 1 1 0   38 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   38 26 o 50.83345 23.84450 -97.70044      179.6237 -131.4419      208.9258 -2.080801      351.7093 53.05244 25.13681 71.84457 33.59195 -18.79213      41.95567 
1 1 1 0   38 27 f 71.49960 28.71079 165.6604       183.7592 165.9496       209.3789 164.6910       383.3733 72.78423 30.10478 80.19347 36.62062 -7.409248      47.40641 
1 1 1 0   38 28 o 47.82096 22.90072 -159.5224      183.1387 -164.9874      204.4047 -137.2816      412.3524 50.51720 24.19242 69.79092 33.66245 -19.27372      41.45399 
1 1 1 0   38 29 f 69.05627 28.89330 141.2609       196.0781 164.5191       219.2606 48.39148       438.1360 72.24522 30.41104 76.26472 36.21249 -4.019501      47.28822 
1 1 1 0   38 30 o 113.6120 28.84640 510.8786       192.5232 527.8685       209.8757 420.6931       483.5432 113.2093 30.79875 90.40752 41.22455 22.80173       51.45898 
1 1 1 0   38 31 o 44.54739 21.67426 -215.8069      180.7505 -159.6255      195.5633 -545.0865      473.4495 49.06099 23.53956 62.68050 31.31005 -13.61950      39.17181 
1 1 1 0   39 1  o 99.73140 22.03598 325.7245       125.4497 325.7245       125.4497 0.000000       0.000000 99.73140 22.03598 ?        ?        0.000000       22.03598 
1 1 1 0   39 2  o 106.2626 20.35884 363.8448       122.2600 419.0867       129.9935 -59.43093      359.8313 114.3412 20.11945 77.68500 35.47638 36.65624       40.78438 
1 1 1 0   39 3  o 95.04085 22.26542 297.2310       121.9189 232.8554       128.9553 839.3040       374.2033 83.71985 24.62544 145.5698 41.69757 -61.84998      48.42623 
1 1 1 0   39 4  f 152.7165 14.05312 712.5748       124.4559 708.2415       131.0234 752.5785       398.0939 151.8731 14.90180 135.3549 43.88519 16.51823       46.34623 
1 1 1 0   39 5  o 113.4836 19.11995 410.6575       122.7352 410.6575       122.7352 0.000000       0.000000 113.4836 19.11995 ?        ?        0.000000       19.11995 
1 1 1 0   39 6  o 100.2409 21.35671 328.6197       121.7083 255.0721       128.4257 977.0099       381.3167 87.27168 24.23240 157.5028 40.91671 -70.23109      47.55404 
1 1 1 0   39 7  o 248.3382 9.431304 1840.423       137.1121 1832.110       147.0020 1896.036       380.2393 247.4362 10.15156 237.0259 27.88630 10.41026       29.67659 
1 1 1 0   39 8  o 43.16571 19.94658 -76.50199      118.4691 -76.50199      118.4691 0.000000       0.000000 43.16571 19.94658 ?        ?        0.000000       19.94658 
1 1 1 0   39 9  o 52.93929 21.80808 42.62030       109.2783 20.55003       113.8402 301.5586       389.9329 51.15414 21.74018 98.08218 40.86950 -46.92805      46.29202 
1 1 1 0   39 10 o 65.69456 22.55426 133.3514       104.9011 127.0437       109.0398 211.7433       384.4023 64.95080 22.95060 91.94542 39.53251 -26.99462      45.71159 
1 1 1 0   39 11 o 88.94078 20.54251 260.3856       104.9931 212.0222       112.3905 591.9203       294.2632 79.65798 22.86275 122.7301 37.45820 -43.07210      43.88419 
1 1 1 0   39 12 o 41.48877 18.95090 -51.83256      102.7533 -137.5462      111.1956 449.2056       268.8426 37.20111 17.82288 108.0490 36.11446 -70.84790      40.27293 
1 1 1 0   39 13 o 53.70089 21.59129 57.17715       104.0653 41.00042       113.2784 144.6650       263.4364 53.14957 22.07762 79.32235 33.35881 -26.17278      40.00289 
1 1 1 0   39 14 o 107.1570 16.30026 362.9230       99.21466 364.2631       109.0645 356.4929       238.9034 106.4995 18.10931 97.75219 34.01415 8.747345       38.53453 
1 1 1 0   39 15 o 86.85375 18.49607 246.0566       91.32513 197.2489       101.2662 458.6732       211.3583 76.71152 21.59792 110.9988 31.18524 -34.28727      37.93401 
1 1 1 0   39 16 o 192.7237 8.953801 1112.431       100.9263 1156.654       116.0056 974.7266       204.7065 195.9565 10.12850 172.8607 20.59693 23.09584       22.95256 
1 1 1 0   39 17 o 51.19732 20.24745 58.48418       90.02702 95.24418       102.5495 -65.06171      188.0009 58.45311 22.00121 55.31691 25.40386 3.136200       33.60669 
1 1 1 0   39 18 o 41.68638 18.37772 -10.01688      87.58971 -16.45905      101.1643 9.272301       175.0525 43.98756 19.55285 58.53424 25.88508 -14.54668      32.43996 
1 1 1 0   39 19 o 36.35397 16.73946 -49.25842      82.38203 0.9474719E-01  96.24271 -184.5447      159.3446 44.63889 19.48292 43.80760 21.07814 0.8312874      28.70318 
1 1 1 0   39 20 o 177.0221 8.372693 939.0106       86.67835 926.4304       103.7519 968.0807       157.7164 174.9530 10.15535 175.3183 15.49854 -0.3652496     18.52932 
1 1 1 0   39 21 o 71.60698 17.34258 169.3404       72.05036 187.8934       93.16576 141.7323       113.6493 74.24168 20.64890 65.99216 23.41999 8.249519       31.22296 
1 1 1 0   39 22 o 90.07210 13.65776 256.0616       69.88722 310.8798       95.76040 193.5896       102.2272 97.45369 17.39286 74.71087 21.91188 22.74282       27.97574 
1 1 1 0   39 23 o 108.6864 10.07502 360.2847       63.48928 376.2130       91.72086 345.6321       87.97127 108.7928 14.75530 104.1827 14.81484 4.610130       20.90929 
1 1 1 0   39 24 o 70.12627 19.16632 167.3648       81.05952 190.1362       83.06259 -287.7640      371.3452 74.83391 18.91867 63.50648 30.93635 11.32743       36.26257 
1 1 1 0   39 25 o 73.58020 29.18199 184.1194       187.5027 197.7779       207.6622 123.8411       436.2505 75.66556 30.47309 80.39629 37.53179 -4.730728      48.34506 
1 1 1 0   39 26 o 80.38455 37.63303 136.1356       443.7735 0.000000       0.000000 136.1356       443.7735 ?        ?        80.38455 37.63303 0.000000       37.63303 
1 1 1 0   39 27 o 47.62803 22.53560 -112.8997      166.8248 -136.6839      184.9824 -9.278894      386.1088 49.03545 23.35333 72.01926 34.13770 -22.98381      41.36134 
1 1 1 0   39 28 o 151.8170 21.91196 803.8365       189.4584 1017.392       211.7822 -51.94704      423.9519 171.3888 21.54451 72.18162 34.63967 99.20716       40.79305 
1 1 1 0   39 29 o 46.65201 22.58366 -198.9159      189.8080 -149.5280      203.0485 -540.9849      534.3754 50.61197 24.20387 66.32664 33.15148 -15.71467      41.04690 
1 1 1 0   40 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   40 1  o 103.2936 21.91403 352.6105       128.6365 352.6105       128.6365 0.000000       0.000000 103.2936 21.91403 ?        ?        0.000000       21.91403 
1 1 1 0   40 2  o 223.1716 11.76936 1504.270       153.4986 1504.270       153.4986 0.000000       0.000000 223.1716 11.76936 ?        ?        0.000000       11.76936 
1 1 1 0   40 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   40 4  o 54.22172 22.95828 30.03923       126.1573 -9.191077      134.2926 324.7184       368.0577 51.76689 22.79131 98.16574 40.18511 -46.39885      46.19835 
1 1 1 0   40 5  o 179.0388 12.07287 971.7825       126.0263 977.7160       133.1182 920.5052       391.3329 179.2536 12.74563 147.9460 42.72327 31.30759       44.58395 
1 1 1 0   40 6  o 57.98020 23.18263 71.80624       119.2776 71.80624       119.2776 0.000000       0.000000 57.98020 23.18263 ?        ?        0.000000       23.18263 
1 1 1 0   40 7  o 108.0348 19.06994 376.5419       116.4110 383.5014       122.2962 309.4080       379.8338 108.6157 19.93294 96.89889 40.35345 11.71680       45.00803 
1 1 1 0   40 8  o 185.5716 11.66226 1042.542       126.2824 1000.707       132.3541 1467.379       421.7752 181.3641 12.52013 194.3726 38.36207 -13.00845      40.35347 
1 1 1 0   40 9  o 76.22198 23.20553 194.2183       113.0275 129.5827       117.2214 1049.336       426.3672 65.68404 23.72917 154.5757 44.58162 -88.89162      50.50341 
1 1 1 0   40 10 o 93.66432 20.98928 291.3359       112.4359 292.2275       116.7809 280.0197       416.0587 93.46667 21.71908 95.29359 41.05177 -1.826920      46.44315 
1 1 1 0   40 11 o 107.3318 18.08880 370.5856       109.8206 382.9019       118.5635 296.1942       291.3885 108.4825 19.34509 91.98335 36.41116 16.49915       41.23112 
1 1 1 0   40 12 o 93.53842 20.39911 290.3615       108.7459 339.9301       118.3495 21.58474       275.5872 101.2798 20.62630 71.19730 31.91611 30.08250       38.00108 
1 1 1 0   40 13 o 189.6238 10.55131 1086.196       116.8783 1227.398       130.1568 498.1682       265.6106 201.3149 11.06661 111.1118 35.83174 90.20302       37.50178 
1 1 1 0   40 14 o 128.6789 14.30395 516.1077       106.1258 543.5709       117.2967 392.1767       249.1722 131.4274 15.51652 99.49825 34.73011 31.92910       38.03870 
1 1 1 0   40 15 o 104.2927 16.38335 347.7795       96.90908 359.3192       107.6394 298.4040       222.6540 105.1208 18.11325 89.31039 32.63907 15.81045       37.32825 
1 1 1 0   40 16 o 90.31165 18.33242 268.0792       93.77811 235.9913       105.1847 392.4204       207.0569 83.18340 21.42923 100.7233 31.53899 -17.53994      38.13030 
1 1 1 0   40 17 o 51.94265 20.70798 60.20351       94.89352 54.38908       107.3499 80.98684       202.9577 53.02668 21.70417 67.03114 28.77139 -14.00447      36.03976 
1 1 1 0   40 18 o 57.42410 20.88268 98.69012       90.98221 48.50046       104.3130 258.2711       186.0038 51.69744 21.30274 83.70496 29.93414 -32.00751      36.74043 
1 1 1 0   40 19 o 167.8862 9.861315 853.1995       96.66818 806.8658       112.6234 982.8608       188.4020 162.0807 11.93168 173.4240 18.82525 -11.34331      22.28800 
1 1 1 0   40 20 o 63.61824 19.92105 135.3426       82.60676 67.50510       102.4898 261.1247       139.5582 53.66697 21.47878 84.49508 25.79776 -30.82811      33.56877 
1 1 1 0   40 21 o 137.7065 10.24125 577.5723       82.11781 589.1432       104.0086 558.4221       133.8049 137.5228 13.05192 130.5917 17.94449 6.931091       22.18913 
1 1 1 0   40 22 o 43.51751 17.28438 40.71476       65.87029 125.4421       94.56935 -39.12576      91.80159 61.74219 21.40524 39.20670 17.91004 22.53549       27.90974 
1 1 1 0   40 23 f 52.07788 16.14471 87.61687       54.40337 15.52928       84.73779 138.1668       70.95897 43.51571 18.63262 64.08299 18.09227 -20.56728      25.97123 
1 1 1 0   40 24 o 125.6394 10.31800 483.0057       75.35839 519.6331       76.73278 -512.0649      399.9493 130.4502 10.10847 59.60299 29.61025 70.84724       31.28814 
1 1 1 0   40 25 o 137.9145 22.99345 673.0143       179.4351 723.7828       192.4132 334.3030       496.9958 142.1199 23.93455 87.69296 40.63856 54.42693       47.16307 
1 1 1 0   40 26 o 59.45152 26.56143 30.23247       189.1577 20.50673       201.7649 100.8417       543.6443 60.05475 27.08189 80.69962 38.85540 -20.64487      47.36213 
1 1 1 0   40 27 o 71.71188 29.04036 176.3843       189.7519 137.0564       199.9568 532.4482       601.6575 68.58865 28.96577 93.01859 43.63465 -24.42994      52.37364 
1 1 1 0   41 1  o 244.1035 10.96560 1797.112       156.5838 1797.112       156.5838 0.000000       0.000000 244.1035 10.96560 ?        ?        0.000000       10.96560 
1 1 1 0   41 2  o 87.19405 24.80842 261.8228       132.8982 261.8228       132.8982 0.000000       0.000000 87.19405 24.80842 ?        ?        0.000000       24.80842 
1 1 1 0   41 3  o 173.0078 18.39582 952.2043       183.7948 1004.708       208.6153 770.1051       388.5117 176.0735 20.59072 131.4789 43.39816 44.59454       48.03517 
1 1 1 0   41 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   41 5  o 150.2198 14.59724 699.5388       126.9826 659.2628       134.2334 1042.426       391.6633 144.9875 16.05497 156.4144 41.86871 -11.42688      44.84140 
1 1 1 0   41 6  o 174.4680 11.95382 926.1483       121.5741 828.6489       128.0563 1816.713       387.0193 164.2179 13.41301 225.6264 29.98970 -61.40855      32.85257 
1 1 1 0   41 7  o 105.6760 19.10353 363.9279       114.0402 273.7538       119.4940 1284.690       381.8377 89.65304 22.70581 180.3730 37.32707 -90.71999      43.69055 
1 1 1 0   41 8  o 125.3557 16.31616 496.9901       117.1097 534.5941       124.6460 213.9279       341.9817 129.8189 16.76242 86.99789 37.34456 42.82103       40.93404 
1 1 1 0   41 9  o 79.14240 22.78034 214.0319       111.4290 219.4318       116.0014 149.5573       400.8344 79.95018 23.31173 85.76392 38.46514 -5.813744      44.97781 
1 1 1 0   41 10 o 148.1520 13.93624 680.7114       119.6665 718.9431       124.9495 257.0659       415.9343 152.1505 14.16541 91.21177 40.13569 60.93871       42.56210 
1 1 1 0   41 11 o 51.37094 21.50326 37.76772       108.6761 -45.09389      116.1448 620.5941       308.0298 44.47384 20.25028 119.7623 38.58397 -75.28850      43.57519 
1 1 1 0   41 12 o 125.6546 15.69277 499.4025       113.1314 496.8973       121.4241 515.8866       311.4701 124.5309 17.07472 108.7078 38.75144 15.82311       42.34643 
1 1 1 0   41 13 o 94.16560 19.92684 296.3161       106.6102 345.1028       115.0595 0.2591916      283.4387 101.7768 19.98984 69.34736 31.59859 32.42945       37.39070 
1 1 1 0   41 14 f 187.6023 10.68530 1068.161       117.0781 1121.286       129.3746 827.8674       275.1492 191.6761 11.56258 145.6359 32.98286 46.04015       34.95086 
1 1 1 0   41 15 o 178.7784 10.46838 969.7981       109.2800 1046.287       122.8209 679.1572       239.4146 185.1681 11.36456 132.8295 31.25736 52.33859       33.25922 
1 1 1 0   41 16 o 64.92598 21.70432 139.8262       97.10151 103.8429       108.5151 284.3944       217.5083 59.73310 22.59908 86.28519 32.13066 -26.55210      39.28228 
1 1 1 0   41 17 o 84.75727 20.08585 244.5362       98.30625 304.1617       111.2551 32.18628       209.9568 94.42004 20.66611 63.25543 28.13993 31.16462       34.91338 
1 1 1 0   41 18 o 150.4426 16.58193 727.7605       143.8802 938.7548       209.0696 537.9228       198.3110 165.8177 22.04415 118.9347 28.75127 46.88301       36.22955 
1 1 1 0   41 19 o 108.3687 15.18035 375.7112       93.83706 425.9292       111.8466 256.3385       172.4431 114.1870 17.23788 82.18572 28.87706 32.00128       33.63078 
1 1 1 0   41 20 o 122.3829 12.10875 464.6585       85.77216 518.6489       106.7010 366.0547       144.1973 127.9090 14.47811 100.2151 24.69610 27.69387       28.62714 
1 1 1 0   41 21 o 76.73456 17.16919 196.1618       75.33211 167.3490       98.46231 236.8372       116.9883 69.30009 21.75603 81.05637 23.34491 -11.75628      31.91096 
1 1 1 0   41 22 o 100.7656 12.13477 316.9736       70.27065 377.7777       95.43874 244.9818       103.8484 108.1978 15.48095 83.50604 21.17717 24.69175       26.23228 
1 1 1 0   41 23 o 180.1902 9.742954 987.7831       102.5779 987.7831       102.5779 0.000000       0.000000 180.1902 9.742954 ?        ?        0.000000       9.742954 
1 1 1 0   41 24 o 58.72411 25.86369 43.08476       173.0852 -9.681109      192.8813 261.2834       392.2289 57.12020 26.04236 82.93001 37.54383 -25.80981      45.69183 
1 1 1 0   41 25 o 45.71094 22.34819 -255.6452      198.8719 -74.30024      227.5320 -842.5321      409.3238 57.13374 26.81149 53.61508 27.08620 3.518661       38.11192 
1 1 1 0   41 26 o 61.83670 27.76578 43.92797       209.5223 -75.34713      229.4473 642.5825       514.0392 56.95373 26.78889 97.28854 43.60246 -40.33481      51.17439 
1 1 1 0   42 0  f 169.3716 21.73477 903.9691       210.9268 903.9691       210.9268 0.000000       0.000000 169.3716 21.73477 ?        ?        0.000000       21.73477 
1 1 1 0   42 1  o 227.3023 11.82706 1573.521       157.1212 1573.521       157.1212 0.000000       0.000000 227.3023 11.82706 ?        ?        0.000000       11.82706 
1 1 1 0   42 2  o 149.3475 17.13659 710.6588       147.3814 710.6588       147.3814 0.000000       0.000000 149.3475 17.13659 ?        ?        0.000000       17.13659 
1 1 1 0   42 3  f 113.4405 21.99122 434.5106       141.0253 434.5106       141.0253 0.000000       0.000000 113.4405 21.99122 ?        ?        0.000000       21.99122 
1 1 1 0   42 4  o 212.5081 11.49312 1373.737       142.7068 1361.969       152.0991 1460.291       412.4956 211.0134 12.34431 188.4028 38.63001 22.61061       40.55441 
1 1 1 0   42 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   42 6  o 84.06074 23.06450 244.8696       117.1228 211.4263       122.7049 587.5579       392.7867 78.03219 24.25554 111.2197 42.77139 -33.18750      49.17035 
1 1 1 0   42 7  o 226.1030 9.745308 1540.085       128.9233 1513.227       137.7072 1730.687       366.8507 223.6230 10.52958 218.2016 29.41547 5.421387       31.24327 
1 1 1 0   42 8  o 139.8846 16.48022 622.5878       132.6105 622.5878       132.6105 0.000000       0.000000 139.8846 16.48022 ?        ?        0.000000       16.48022 
1 1 1 0   42 9  f 95.57883 21.68107 311.8911       118.7303 354.3468       124.5963 -107.4122      391.5624 102.1725 21.47621 72.95369 34.52066 29.21881       40.65592 
1 1 1 0   42 10 o 70.31727 23.89069 166.7733       117.6411 163.6365       122.1552 206.8777       436.7784 69.94405 24.32323 87.58073 39.63698 -17.63669      46.50494 
1 1 1 0   42 11 o 63.23793 23.19889 123.9798       112.6483 141.8309       120.5364 0.8267493      316.5980 66.42955 24.05362 71.44479 32.86757 -5.015236      40.72903 
1 1 1 0   42 12 o 157.2826 13.59707 769.4273       124.1923 774.6815       134.7894 739.8991       319.5380 156.9974 14.81420 128.3358 39.00673 28.66165       41.72511 
1 1 1 0   42 13 o 73.64968 23.75976 189.3707       116.7796 239.1523       126.6492 -93.20201      301.7404 81.74718 24.49467 65.41724 30.75442 16.32995       39.31696 
1 1 1 0   42 14 o 110.9295 18.53215 406.4900       116.3153 392.1957       130.0275 463.7419       260.2248 106.9332 21.47994 103.3959 35.52238 3.537338       41.51177 
1 1 1 0   42 15 o 110.3352 17.33807 397.6360       108.4967 428.3713       126.1102 310.0800       212.8503 112.9630 19.75442 88.23238 31.96163 24.73058       37.57370 
1 1 1 0   42 16 o 62.55644 22.25793 127.3790       102.7109 207.4795       118.0201 -122.6851      208.5278 76.22406 23.80278 53.53006 25.28835 22.69400       34.72856 
1 1 1 0   42 17 o 93.42106 19.63344 296.7760       104.1474 279.3338       119.8644 350.5112       210.3869 88.45959 22.92045 92.19868 31.92866 -3.739082      39.30377 
1 1 1 0   42 18 o 53.34468 21.39142 68.55103       101.8628 69.45029       121.8675 66.46622       185.5561 55.95430 23.03799 62.54732 27.17902 -6.593021      35.62932 
1 1 1 0   42 19 o 61.31416 21.61461 123.5680       96.67039 88.25195       117.4800 197.6267       170.1241 57.68730 23.02678 74.28194 28.25152 -16.59464      36.44696 
1 1 1 0   42 20 o 114.6785 13.75968 416.4492       90.69658 451.5782       113.5960 354.6805       150.6313 117.3090 17.00667 96.93944 25.97253 20.36956       31.04511 
1 1 1 0   42 21 f 171.0195 9.563557 889.1813       95.53933 882.4810       126.3664 898.1216       145.9700 167.9472 12.92890 167.6493 15.00453 0.2978668      19.80637 
1 1 1 0   42 22 o 93.44135 14.37108 280.6297       76.23600 323.0363       110.6022 242.2452       105.2265 96.58472 20.17720 82.46580 21.52940 14.11893       29.50652 
1 1 1 0   42 23 o 47.64746 19.16348 51.22180       82.00580 87.23126       83.86655 -733.3725      391.4741 53.75095 19.96382 53.95682 27.16190 -0.2058640     33.70939 
1 1 1 0   42 24 o 95.07593 32.06240 397.1660       211.8618 608.6205       251.4881 -119.7620      393.2095 115.5942 34.48848 67.59085 32.66777 48.00330       47.50409 
1 1 1 0   43 1  o 94.74950 25.57558 323.3292       145.4018 323.3292       145.4018 0.000000       0.000000 94.74950 25.57558 ?        ?        0.000000       25.57558 
1 1 1 0   43 2  o 77.82281 26.50183 213.9585       144.7723 213.9585       144.7723 0.000000       0.000000 77.82281 26.50183 ?        ?        0.000000       26.50183 
1 1 1 0   43 3  o 101.4605 24.00226 362.4077       140.5755 362.4077       140.5755 0.000000       0.000000 101.4605 24.00226 ?        ?        0.000000       24.00226 
1 1 1 0   43 4  o 185.4604 12.32657 1056.839       133.3129 1092.374       140.6013 740.4983       419.5030 188.2218 12.81345 119.0412 44.56320 69.18060       46.36878 
1 1 1 0   43 5  o 55.78154 23.76681 42.89932       136.6531 42.89932       136.6531 0.000000       0.000000 55.78154 23.76681 ?        ?        0.000000       23.76681 
1 1 1 0   43 6  o 85.79329 24.07433 261.3862       126.0399 240.8164       132.9975 442.6967       394.8568 81.98399 25.21299 98.68002 41.12331 -16.69603      48.23714 
1 1 1 0   43 7  o 171.8082 13.04507 913.7504       130.4615 866.5100       136.9785 1375.074       428.0540 166.5110 14.16103 172.7690 42.53468 -6.258011      44.83005 
1 1 1 0   43 8  o 122.2941 19.74687 498.2187       136.8061 377.9100       144.9057 1485.044       415.0085 102.9765 24.37460 184.7148 39.50507 -81.73825      46.41953 
1 1 1 0   43 9  o 121.3461 19.93338 492.4688       136.9378 543.1909       145.4600 97.25360       406.0332 127.3885 20.13848 80.02055 36.95930 47.36790       42.08976 
1 1 1 0   43 10 o 155.9123 14.19175 762.8267       128.3470 852.3054       137.5687 161.7383       356.5568 164.7139 14.38515 80.51710 36.18175 84.19675       38.93650 
1 1 1 0   43 11 o 59.58673 23.84588 92.45083       126.3132 163.1767       139.5773 -227.5090      296.8748 69.73071 25.78130 59.26862 28.58107 10.46210       38.49094 
1 1 1 0   43 12 o 85.07883 24.29947 262.0867       127.2606 278.3455       139.8524 183.7984       306.8835 86.84158 25.67143 79.12572 34.65658 7.715851       43.12889 
1 1 1 0   43 13 o 126.8142 17.11447 523.8888       124.0402 579.6089       139.3128 310.7389       272.4754 132.4607 18.43161 87.01154 34.95364 45.44920       39.51558 
1 1 1 0   43 14 o 89.33472 23.17437 286.1695       122.4385 327.7981       137.7350 129.3599       267.3222 94.71420 24.58418 73.18406 32.19060 21.53014       40.50452 
1 1 1 0   43 15 o 48.13000 20.80637 18.92053       107.6075 -77.58128      129.7701 231.3241       192.5252 43.86384 20.47482 78.61011 30.01635 -34.74627      36.33455 
1 1 1 0   43 16 o 107.3934 17.52569 380.8037       106.5798 435.9672       130.0148 267.7897       186.0944 112.9524 20.37621 82.65066 29.89287 30.30175       36.17698 
1 1 1 0   43 17 o 87.37312 20.63530 266.0597       104.0408 355.4558       123.3993 46.28098       193.4845 100.7039 21.54513 61.34969 27.16785 39.35420       34.67398 
1 1 1 0   43 18 o 80.59783 22.25981 233.3400       108.6896 311.3704       128.7381 39.68583       202.8096 92.28706 23.67261 61.54259 27.49892 30.74447       36.28475 
1 1 1 0   43 19 o 52.41962 21.43886 61.83632       104.6390 113.1357       125.3604 -56.02056      190.0123 61.18962 23.98599 53.92082 25.03606 7.268806       34.67178 
1 1 1 0   43 20 o 45.99232 20.15650 8.115932       103.9479 -65.11215      139.3253 100.0527       156.1118 46.02460 21.39314 62.09632 25.86596 -16.07173      33.56656 
1 1 1 0   43 21 o 37.40509 17.08416 -34.32519      83.48445 -27.72128      121.0742 -40.31104      115.2693 45.62476 20.73574 43.54762 19.95918 2.077148       28.78090 
1 1 1 0   44 0  o 194.4134 21.69869 1201.976       243.1928 1201.976       243.1928 0.000000       0.000000 194.4134 21.69869 ?        ?        0.000000       21.69869 
1 1 1 0   44 1  o 55.29691 24.58120 6.690484       159.9078 6.690484       159.9078 0.000000       0.000000 55.29691 24.58120 ?        ?        0.000000       24.58120 
1 1 1 0   44 2  o 61.70563 24.97388 98.37016       140.2397 98.37016       140.2397 0.000000       0.000000 61.70563 24.97388 ?        ?        0.000000       24.97388 
1 1 1 0   44 3  o 58.15186 24.58364 61.48476       144.2763 61.48476       144.2763 0.000000       0.000000 58.15186 24.58364 ?        ?        0.000000       24.58364 
1 1 1 0   44 4  f 88.28754 25.94573 288.1764       143.2081 288.1764       143.2081 0.000000       0.000000 88.28754 25.94573 ?        ?        0.000000       25.94573 
1 1 1 0   44 5  o 134.2249 16.85877 582.9572       129.7917 563.9086       139.2447 709.1326       358.3723 130.6307 18.70884 118.1190 41.61869 12.51171       45.63043 
1 1 1 0   44 6  o 57.64858 24.21234 64.30196       138.4973 -83.38464      147.0775 1220.419       411.5065 46.73043 21.80779 157.5929 43.22962 -110.8625      48.41879 
1 1 1 0   44 7  o 74.80285 25.12909 200.6886       130.1458 245.7382       137.1126 -209.1252      413.5472 81.67997 25.67772 68.82343 33.32097 12.85654       42.06700 
1 1 1 0   44 8  o 90.89205 25.46196 305.7277       141.1144 317.9560       150.2012 213.7382       411.9641 91.99689 26.43834 83.61128 38.09686 8.385612       46.37194 
1 1 1 0   44 9  o 77.38459 25.80133 219.6424       137.2348 211.1370       146.4591 280.8549       392.9057 76.01886 26.62010 86.05167 38.37439 -10.03281      46.70357 
1 1 1 0   44 10 o 44.34092 20.46702 -56.85831      124.2330 -69.07509      131.4217 45.73693       380.8486 44.77134 20.79931 74.95781 35.01753 -30.18647      40.72884 
1 1 1 0   44 11 o 97.21451 21.55402 330.2484       119.6628 319.6160       130.1630 388.2872       304.1098 94.08258 23.62615 92.30894 36.98006 1.773643       43.88302 
1 1 1 0   44 12 o 74.60662 24.48005 201.4690       123.6879 192.7995       135.8219 243.5889       299.3763 73.15108 25.63376 81.49866 34.96170 -8.347572      43.35216 
1 1 1 0   44 13 o 57.36329 22.83967 88.34314       115.2900 52.45613       126.1104 270.9592       284.4801 54.37121 22.98458 82.82542 34.73830 -28.45422      41.65382 
1 1 1 0   44 14 o 105.4895 19.44896 378.3850       115.8930 480.5075       139.4004 149.8293       208.5449 117.9560 20.91666 70.58701 29.68261 47.36900       36.31203 
1 1 1 0   44 15 f 40.51612 18.56077 -40.51342      99.52118 99.45574       144.3911 -167.1835      137.3604 61.16713 25.11903 39.77599 19.24465 21.39114       31.64368 
1 1 1 0   44 16 o 107.5789 17.34953 383.8122       105.7396 383.9611       139.6971 383.6125       161.8035 102.6540 23.68550 99.50446 27.03082 3.149521       35.93978 
1 1 1 0   44 17 o 45.80930 20.48809 -9.752314      112.8615 70.78513       138.6933 -167.6240      194.1818 57.42118 24.17980 48.65363 23.37334 8.767544       33.62999 
1 1 1 0   44 18 o 78.25237 23.46554 225.2228       116.1970 224.9066       135.2930 226.1119       226.8498 77.17805 25.61496 77.13846 31.55949 0.3958893E-01  40.64637 
1 1 1 0   44 19 o 148.0516 16.86085 720.7413       143.7949 947.6808       237.8547 590.0253       180.5182 158.5442 26.51628 125.7230 25.35847 32.82116       36.69013 
1 1 1 0   45 1  o 156.7938 18.02101 808.1693       162.7044 808.1693       162.7044 0.000000       0.000000 156.7938 18.02101 ?        ?        0.000000       18.02101 
1 1 1 0   45 2  o 142.2234 19.78151 680.3646       160.5391 680.3646       160.5391 0.000000       0.000000 142.2234 19.78151 ?        ?        0.000000       19.78151 
1 1 1 0   45 3  o 103.4153 25.50020 395.7307       153.6707 395.7307       153.6707 0.000000       0.000000 103.4153 25.50020 ?        ?        0.000000       25.50020 
1 1 1 0   45 4  o 42.13685 20.31206 -168.1877      149.6080 -168.1877      149.6080 0.000000       0.000000 42.13685 20.31206 ?        ?        0.000000       20.31206 
1 1 1 0   45 5  o 61.47484 24.95985 101.2095       140.5955 114.9321       148.9987 -10.25652      424.6537 63.72385 25.75952 74.72115 35.52869 -10.99730      43.88440 
1 1 1 0   45 6  o 135.0419 19.91190 616.1938       152.9734 616.1938       152.9734 0.000000       0.000000 135.0419 19.91190 ?        ?        0.000000       19.91190 
1 1 1 0   45 7  o 94.01532 31.25372 366.4437       201.3953 316.1168       227.1405 551.4625       435.5143 87.05206 32.74838 99.13986 42.34025 -12.08780      53.52713 
1 1 1 0   45 8  o 70.76411 25.47054 177.6767       134.9078 283.5666       143.4130 -636.4626      397.6588 86.51864 26.09729 56.73814 28.39454 29.78049       38.56577 
1 1 1 0   45 9  o 44.71621 20.94458 -83.23932      137.7363 -73.57542      147.4212 -149.6244      386.3839 46.96939 21.89067 67.52203 32.57236 -20.55264      39.24488 
1 1 1 0   45 10 o 67.59109 24.37476 158.9461       123.6193 170.8107       132.9375 83.10493       336.1044 69.52029 25.24818 73.11260 33.71784 -3.592308      42.12320 
1 1 1 0   45 11 o 129.7555 16.83288 551.8885       125.0797 611.8232       140.9122 329.2327       271.5978 135.5567 18.18276 86.42880 34.83504 49.12788       39.29494 
1 1 1 0   45 12 o 50.89426 21.92896 31.89419       118.7636 33.12896       135.3503 27.76211       247.5993 53.33052 23.19295 64.45575 29.43241 -11.12523      37.47239 
1 1 1 0   45 13 o 76.12930 23.34717 211.9691       114.1406 219.5336       128.8962 184.4884       245.6778 76.67472 24.97978 74.42325 31.79293 2.251472       40.43241 
1 1 1 0   45 14 o 99.17277 21.00914 344.9825       118.3890 457.6169       146.0461 129.1245       202.1801 113.0407 22.81683 67.95324 28.92934 45.08744       36.84446 
1 1 1 0   45 15 o 73.86086 23.40294 199.6013       113.6882 200.8235       153.8844 198.1325       168.6927 73.38425 27.08141 73.20155 28.06083 0.1827087      38.99760 
1 1 1 0   45 16 o 87.78785 26.03419 298.6983       143.6464 393.4495       244.5170 248.7646       177.5064 92.09319 34.10988 78.87859 29.08988 13.21460       44.82973 
1 1 1 0   46 0  o 126.5301 31.38097 573.3529       231.7257 573.3529       231.7257 0.000000       0.000000 126.5301 31.38097 ?        ?        0.000000       31.38097 
1 1 1 0   46 1  f 55.70670 24.99773 8.914366       169.5372 8.914366       169.5372 0.000000       0.000000 55.70670 24.99773 ?        ?        0.000000       24.99773 
1 1 1 0   46 2  o 139.9801 20.62797 672.8820       164.2746 672.8820       164.2746 0.000000       0.000000 139.9801 20.62797 ?        ?        0.000000       20.62797 
1 1 1 0   46 3  o 200.1952 15.76538 1290.271       183.6082 1290.271       183.6082 0.000000       0.000000 200.1952 15.76538 ?        ?        0.000000       15.76538 
1 1 1 0   46 4  o 87.89570 28.51969 309.1398       168.1091 309.1398       168.1091 0.000000       0.000000 87.89570 28.51969 ?        ?        0.000000       28.51969 
1 1 1 0   46 5  o 111.4145 27.35833 479.7806       177.4342 479.7806       177.4342 0.000000       0.000000 111.4145 27.35833 ?        ?        0.000000       27.35833 
1 1 1 0   46 6  o 69.72035 27.00386 168.8536       157.3772 -18.76533      167.0744 1645.791       468.7624 53.31352 24.28007 175.5020 45.25200 -122.1885      51.35431 
1 1 1 0   46 7  f 104.9732 27.95258 433.7986       175.1408 433.7986       175.1408 0.000000       0.000000 104.9732 27.95258 ?        ?        0.000000       27.95258 
1 1 1 0   46 8  o 133.0015 20.22312 606.5894       152.7827 557.7607       168.8574 827.0398       358.7881 123.7901 24.12597 122.8802 41.72265 0.9099350      48.19587 
1 1 1 0   46 9  o 137.5562 22.63065 670.8169       176.2258 670.8169       176.2258 0.000000       0.000000 137.5562 22.63065 ?        ?        0.000000       22.63065 
1 1 1 0   46 10 o 79.07516 25.34581 236.6251       133.0390 231.4360       152.9103 252.7887       269.8720 77.53497 27.19639 79.86759 33.68581 -2.332626      43.29408 
1 1 1 0   46 11 o 54.04426 22.89618 54.73909       125.5952 19.89355       148.6377 141.7240       234.8430 53.67424 23.78825 70.43935 30.59262 -16.76510      38.75293 
1 1 1 0   46 12 o 50.26240 22.13833 16.23526       126.8332 -26.31562      147.2937 138.2760       249.4494 49.75793 22.71330 70.65558 31.08652 -20.89765      38.50021 
1 1 1 0   47 1  o 64.08915 27.28325 104.0337       179.8144 104.0337       179.8144 0.000000       0.000000 64.08915 27.28325 ?        ?        0.000000       27.28325 
1 1 1 0   47 2  o 144.6317 22.31465 739.5188       183.1978 739.5188       183.1978 0.000000       0.000000 144.6317 22.31465 ?        ?        0.000000       22.31465 
1 1 1 0   47 3  o 166.0313 19.74696 938.5973       188.5202 938.5973       188.5202 0.000000       0.000000 166.0313 19.74696 ?        ?        0.000000       19.74696 
1 1 1 0   47 4  o 73.43938 29.71998 196.5892       198.5860 196.5892       198.5860 0.000000       0.000000 73.43938 29.71998 ?        ?        0.000000       29.71998 
1 1 1 0   47 5  o 48.22041 23.32611 -194.4976      201.5762 -194.4976      201.5762 0.000000       0.000000 48.22041 23.32611 ?        ?        0.000000       23.32611 
1 1 1 0   47 6  o 94.71576 30.55645 382.4153       193.1467 382.4153       193.1467 0.000000       0.000000 94.71576 30.55645 ?        ?        0.000000       30.55645 
1 1 1 1   0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  2  o 6.574608 4.662467 -10.00327      7.541097 -10.00327      7.541097 -10.00327      7.541097 6.574608 4.662467 6.574608 4.662467 0.000000       0.000000 
1 1 1 1   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  4  o 227.5364 5.277243 1520.858       70.33647 1520.858       70.33647 1520.858       70.33647 227.5364 5.277243 227.5364 5.277243 0.000000       0.000000 
1 1 1 1   0  5  o 66.47653 5.885787 132.6312       22.51421 132.6312       22.51421 132.6312       22.51421 66.47653 5.885787 66.47653 5.885787 0.000000       0.000000 
1 1 1 1   0  6  o 530.0718 9.473976 8251.273       294.3097 8251.273       294.3097 8251.273       294.3097 530.0718 9.473976 530.0718 9.473976 0.000000       0.000000 
1 1 1 1   0  7  o 338.4447 6.718246 3363.698       133.2318 3363.698       133.2318 3363.698       133.2318 338.4447 6.718246 338.4447 6.718246 0.000000       0.000000 
1 1 1 1   0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  9  o 27.97751 13.37172 33.73446       25.16696 33.73446       25.16696 33.73446       25.16696 27.97751 13.37172 27.97751 13.37172 0.000000       0.000000 
1 1 1 1   0  10 o 516.7690 9.321929 7844.057       282.3150 7844.057       282.3150 7844.057       282.3150 516.7690 9.321929 516.7690 9.321929 0.000000       0.000000 
1 1 1 1   0  11 o 177.2740 5.549446 924.5218       57.56781 924.5218       57.56781 924.5218       57.56781 177.2740 5.549446 177.2740 5.549446 0.000000       0.000000 
1 1 1 1   0  12 o 825.7912 14.17339 20059.49       685.9711 20059.49       685.9711 20059.49       685.9711 825.7912 14.17339 825.7912 14.17339 0.000000       0.000000 
1 1 1 1   0  13 o 489.9044 9.003877 7051.236       258.4999 7051.236       258.4999 7051.236       258.4999 489.9044 9.003877 489.9044 9.003877 0.000000       0.000000 
1 1 1 1   0  14 o 674.3651 16.71225 13394.61       660.0510 13394.61       660.0510 13394.61       660.0510 674.3651 16.71225 674.3651 16.71225 0.000000       0.000000 
1 1 1 1   0  15 o 516.2870 9.421868 7829.160       285.0706 7829.160       285.0706 7829.160       285.0706 516.2870 9.421868 516.2870 9.421868 0.000000       0.000000 
1 1 1 1   0  16 o 395.4691 7.779709 4593.044       180.2798 4593.044       180.2798 4593.044       180.2798 395.4691 7.779709 395.4691 7.779709 0.000000       0.000000 
1 1 1 1   0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  19 o 829.5792 14.29256 20219.57       694.9088 20219.57       694.9088 20219.57       694.9088 829.5792 14.29256 829.5792 14.29256 0.000000       0.000000 
1 1 1 1   0  20 o 59.53396 24.09381 144.8880       82.22169 144.8880       82.22169 144.8880       82.22169 59.53396 24.09381 59.53396 24.09381 0.000000       0.000000 
1 1 1 1   0  21 o 763.5091 13.39458 17127.79       599.3661 17127.79       599.3661 17127.79       599.3661 763.5091 13.39458 763.5091 13.39458 0.000000       0.000000 
1 1 1 1   0  22 o 674.7365 12.01645 13375.26       475.1713 13375.26       475.1713 13375.26       475.1713 674.7365 12.01645 674.7365 12.01645 0.000000       0.000000 
1 1 1 1   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  24 o 438.1527 8.754449 5639.972       224.7571 5639.972       224.7571 5639.972       224.7571 438.1527 8.754449 438.1527 8.754449 0.000000       0.000000 
1 1 1 1   0  25 o 108.5471 13.75027 362.4046       83.71432 362.4046       83.71432 362.4046       83.71432 108.5471 13.75027 108.5471 13.75027 0.000000       0.000000 
1 1 1 1   0  26 o 82.23038 18.66487 226.9510       78.47549 226.9510       78.47549 226.9510       78.47549 82.23038 18.66487 82.23038 18.66487 0.000000       0.000000 
1 1 1 1   0  27 o 100.6776 13.56344 313.7113       76.00063 313.7113       76.00063 313.7113       76.00063 100.6776 13.56344 100.6776 13.56344 0.000000       0.000000 
1 1 1 1   0  28 o 246.2521 7.561810 1784.918       108.9751 1784.918       108.9751 1784.918       108.9751 246.2521 7.561810 246.2521 7.561810 0.000000       0.000000 
1 1 1 1   0  29 o 345.3258 10.59906 3514.141       214.1999 3514.141       214.1999 3514.141       214.1999 345.3258 10.59906 345.3258 10.59906 0.000000       0.000000 
1 1 1 1   0  30 o 26.33541 17.36375 -14.02457      68.80689 -14.02457      68.80689 -14.02457      68.80689 26.33541 17.36375 26.33541 17.36375 0.000000       0.000000 
1 1 1 1   0  31 o 508.3601 9.589480 7602.531       285.6725 7602.531       285.6725 7602.531       285.6725 508.3601 9.589480 508.3601 9.589480 0.000000       0.000000 
1 1 1 1   0  32 o 66.76518 20.24612 163.1104       69.16547 163.1104       69.16547 163.1104       69.16547 66.76518 20.24612 66.76518 20.24612 0.000000       0.000000 
1 1 1 1   0  33 o 32.71338 19.77787 30.53077       69.66086 30.53077       69.66086 30.53077       69.66086 32.71338 19.77787 32.71338 19.77787 0.000000       0.000000 
1 1 1 1   0  34 o 84.85199 21.67226 250.0249       93.22430 250.0249       93.22430 250.0249       93.22430 84.85199 21.67226 84.85199 21.67226 0.000000       0.000000 
1 1 1 1   0  35 f 130.4590 14.08011 518.6260       104.5572 518.6260       104.5572 518.6260       104.5572 130.4590 14.08011 130.4590 14.08011 0.000000       0.000000 
1 1 1 1   0  36 o 167.9851 12.12751 843.6747       118.0194 843.6747       118.0194 843.6747       118.0194 167.9851 12.12751 167.9851 12.12751 0.000000       0.000000 
1 1 1 1   0  37 o 64.38857 27.07908 174.6171       102.8807 174.6171       102.8807 174.6171       102.8807 64.38857 27.07908 64.38857 27.07908 0.000000       0.000000 
1 1 1 1   0  38 o 337.6758 10.27724 3365.796       203.1022 3365.796       203.1022 3365.796       203.1022 337.6758 10.27724 337.6758 10.27724 0.000000       0.000000 
1 1 1 1   0  39 o 158.6137 13.54676 759.0419       123.8180 759.0419       123.8180 759.0419       123.8180 158.6137 13.54676 158.6137 13.54676 0.000000       0.000000 
1 1 1 1   0  40 o 51.32763 27.69654 114.5632       115.8775 114.5632       115.8775 114.5632       115.8775 51.32763 27.69654 51.32763 27.69654 0.000000       0.000000 
1 1 1 1   0  41 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  42 o 43.53813 25.76983 68.51704       113.5151 68.51704       113.5151 68.51704       113.5151 43.53813 25.76983 43.53813 25.76983 0.000000       0.000000 
1 1 1 1   0  43 o 231.8366 11.19522 1603.016       151.4051 1603.016       151.4051 1603.016       151.4051 231.8366 11.19522 231.8366 11.19522 0.000000       0.000000 
1 1 1 1   0  44 o 28.93997 19.88412 -69.01793      109.7203 -69.01793      109.7203 -69.01793      109.7203 28.93997 19.88412 28.93997 19.88412 0.000000       0.000000 
1 1 1 1   0  45 o 120.0656 18.65942 465.2509       121.9425 465.2509       121.9425 465.2509       121.9425 120.0656 18.65942 120.0656 18.65942 0.000000       0.000000 
1 1 1 1   0  46 o 52.48436 28.22740 129.2522       119.9908 129.2522       119.9908 129.2522       119.9908 52.48436 28.22740 52.48436 28.22740 0.000000       0.000000 
1 1 1 1   0  47 o 151.4615 15.71802 714.3770       135.8702 714.3770       135.8702 714.3770       135.8702 151.4615 15.71802 151.4615 15.71802 0.000000       0.000000 
1 1 1 1   0  48 o 237.8135 12.52825 1708.493       173.6199 1708.493       173.6199 1708.493       173.6199 237.8135 12.52825 237.8135 12.52825 0.000000       0.000000 
1 1 1 1   0  49 o 72.77235 32.03329 250.0595       143.1812 250.0595       143.1812 250.0595       143.1812 72.77235 32.03329 72.77235 32.03329 0.000000       0.000000 
1 1 1 1   0  50 o 146.8101 20.30994 705.2599       165.3375 705.2599       165.3375 705.2599       165.3375 146.8101 20.30994 146.8101 20.30994 0.000000       0.000000 
1 1 1 1   0  51 o 52.40249 31.25365 126.5531       169.3299 126.5531       169.3299 126.5531       169.3299 52.40249 31.25365 52.40249 31.25365 0.000000       0.000000 
1 1 1 1   1  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  2  o 9.217752 4.346599 -6.954669      6.108858 -10.13197      6.959900 3.706203       12.74883 9.269312 4.445674 18.45110 7.506962 -9.181789      8.724591 
1 1 1 1   1  3  o 228.1579 5.226336 1526.943       69.93317 0.000000       0.000000 1526.943       69.93317 ?        ?        228.1579 5.226336 0.000000       5.226336 
1 1 1 1   1  4  o 274.1388 4.110252 2204.158       66.08297 2158.156       91.65825 2253.954       95.36265 271.2385 5.761952 277.1913 5.866083 -5.952759      8.222591 
1 1 1 1   1  5  f 202.9852 3.584378 1208.401       42.67059 1220.888       60.74540 1196.238       59.95307 204.0167 5.076883 201.8832 5.067621 2.133453       7.173251 
1 1 1 1   1  6  o 173.1210 3.489817 878.9790       35.43259 903.5546       50.74765 855.6024       49.49435 175.4432 4.936973 170.7201 4.948562 4.723145       6.990133 
1 1 1 1   1  7  o 925.1868 11.10681 25134.59       602.6555 25100.51       850.6970 25168.93       853.8790 923.9308 15.69947 925.1833 15.73686 -1.252502      22.22886 
1 1 1 1   1  8  o 356.8764 4.933948 3735.803       103.2673 3774.603       147.5230 3698.524       144.6048 358.6711 7.013148 355.0402 6.944720 3.630920       9.869822 
1 1 1 1   1  9  o 804.4464 9.741577 19001.11       459.5966 19124.86       655.7114 18881.61       644.3726 806.5248 13.86259 801.4025 13.70995 5.122375       19.49703 
1 1 1 1   1  10 o 193.8880 3.792839 1102.616       43.12865 1069.213       59.64832 1139.212       62.43319 190.8322 5.334853 196.9812 5.409431 -6.149078      7.597538 
1 1 1 1   1  11 f 504.7904 6.465132 7478.433       191.3987 7467.457       270.1115 7489.501       271.2493 504.2072 9.134474 504.9485 9.159485 -0.7413330     12.93579 
1 1 1 1   1  12 o 144.8087 4.111365 615.6373       34.88121 606.0087       48.88953 625.6205       49.78151 143.5848 5.817780 145.8927 5.829879 -2.307892      8.236142 
1 1 1 1   1  13 o 533.8962 6.799738 8367.008       212.9117 8299.999       297.8844 8436.992       304.4275 531.4940 9.556499 535.8477 9.687058 -4.353699      13.60756 
1 1 1 1   1  14 o 205.3474 5.918003 1238.337       71.19698 1347.034       106.4519 1150.363       95.76876 214.0176 8.498020 197.7674 8.275214 16.25014       11.86151 
1 1 1 1   1  15 o 201.1503 5.139744 1187.708       60.58384 1107.377       70.75472 1408.429       117.2835 194.1756 6.221158 218.8354 9.158614 -24.65982      11.07172 
1 1 1 1   1  16 o 166.8688 5.389162 817.6505       52.67167 788.8151       65.30710 871.3149       89.09235 163.8278 6.811942 172.0716 8.858189 -8.243851      11.17453 
1 1 1 1   1  17 o 501.2599 7.579418 7372.172       222.8175 7733.578       289.8607 6850.144       348.3685 513.3092 9.628527 482.8038 12.31324 30.50540       15.63088 
1 1 1 1   1  18 o 82.49405 9.116480 202.1496       43.37132 164.2411       61.46048 239.7532       61.21288 73.45586 14.77897 89.57130 11.95053 -16.11543      19.00613 
1 1 1 1   1  19 o 335.7334 5.294551 3306.233       104.2496 3259.327       145.2835 3356.019       149.6769 333.2972 7.432487 338.2020 7.546198 -4.904755      10.59184 
1 1 1 1   1  20 o 425.9424 6.179363 5322.324       154.3636 5141.991       210.2568 5533.170       227.3502 418.5847 8.564779 434.2000 8.928015 -15.61536      12.37194 
1 1 1 1   1  21 o 488.6628 6.770811 7006.014       194.0441 6844.209       266.8297 7187.633       282.6969 482.8662 9.422297 494.8148 9.741545 -11.94858      13.55276 
1 1 1 1   1  22 o 643.6552 8.168192 12159.04       308.3399 12019.42       428.8510 12308.45       443.6421 639.6868 11.43111 647.3078 11.68615 -7.621033      16.34737 
1 1 1 1   1  23 o 437.6211 6.209877 5619.002       159.3792 5649.012       227.0775 5589.866       223.7518 438.6635 8.826574 436.3656 8.743104 2.297882       12.42378 
1 1 1 1   1  24 o 442.7947 6.220090 5753.288       161.5287 5765.604       228.8779 5741.067       227.9966 443.1194 8.807096 442.1765 8.791890 0.9428406      12.44437 
1 1 1 1   1  25 o 416.8231 6.048218 5098.584       147.8529 5238.874       215.1782 4973.108       203.5011 422.3506 8.687097 411.5167 8.431966 10.83383       12.10635 
1 1 1 1   1  26 o 158.2163 6.562530 736.0684       60.76160 740.5338       85.86677 731.5898       85.99315 158.4797 9.279086 157.5097 9.351152 0.9700012      13.17367 
1 1 1 1   1  27 o 91.59048 9.727363 249.4134       51.45306 228.4867       72.58302 270.5519       72.94958 86.81428 14.78526 94.87423 13.49041 -8.059952      20.01487 
1 1 1 1   1  28 o 39.65670 16.20908 16.61996       59.76935 3.732155       123.6169 20.55207       68.28116 53.31319 22.65600 42.61179 17.35963 10.70140       28.54209 
1 1 1 1   1  29 o 287.3302 5.306522 2423.522       89.42146 2353.165       124.8634 2497.599       128.1217 282.8759 7.533128 291.4371 7.502196 -8.561249      10.63160 
1 1 1 1   1  30 o 412.0035 5.897947 4985.000       142.5123 5174.948       209.9849 4822.797       194.0434 419.4403 8.536255 404.9702 8.170060 14.47012       11.81599 
1 1 1 1   1  31 o 214.4162 5.320157 1349.931       66.90101 1390.123       96.06257 1312.078       93.22583 217.3090 7.548940 211.1141 7.541658 6.194946       10.67067 
1 1 1 1   1  32 o 101.7407 9.424334 307.4345       55.59453 320.2646       60.43050 236.7601       141.8308 103.7709 10.05544 87.61866 25.83970 16.15223       27.72728 
1 1 1 1   1  33 o 300.6320 6.011335 2654.985       105.9880 2651.049       120.8492 2668.104       220.6056 300.3284 6.861147 300.2234 12.55687 0.1050415      14.30910 
1 1 1 1   1  34 o 345.7954 6.372864 3513.302       129.2422 3538.546       148.0158 3432.290       265.1534 346.9321 7.274667 340.4077 13.30714 6.524414       15.16578 
1 1 1 1   1  35 o 62.62531 17.35344 120.2577       65.93533 137.8033       70.27765 -8.705084      190.5307 66.83861 17.66461 64.23237 27.72628 2.606239       32.87529 
1 1 1 1   1  36 o 219.8486 7.307962 1423.116       94.09502 1396.411       131.9933 1450.711       134.1745 217.3216 10.38621 221.5211 10.35638 -4.199493      14.66724 
1 1 1 1   1  37 o 176.0159 8.448743 914.6710       86.96101 877.1701       122.4790 952.7938       123.4902 171.7190 12.24194 179.0861 11.82379 -7.367081      17.01961 
1 1 1 1   1  38 o 196.6499 8.058691 1141.266       92.74439 1090.049       131.1504 1192.498       131.1704 191.4905 11.73444 200.4355 11.20321 -8.945068      16.22371 
1 1 1 1   1  39 o 157.7919 9.548617 738.1299       87.95054 844.0046       127.2935 641.4200       121.6594 168.0209 13.01943 146.0062 14.39473 22.01465       19.40912 
1 1 1 1   1  40 o 122.6806 13.13779 453.0866       93.05520 263.8455       141.4477 597.4877       123.5587 90.82261 25.50976 140.5038 15.23828 -49.68114      29.71453 
1 1 1 1   1  41 o 131.1122 11.91245 515.7278       90.60089 634.7542       129.2113 400.6076       127.0734 144.5265 15.48525 113.0548 19.89126 31.47169       25.20824 
1 1 1 1   1  42 o 187.3447 11.12004 1049.791       121.6299 999.7253       139.7239 1206.416       247.1318 182.0878 13.17303 195.6367 21.91532 -13.54889      25.56971 
1 1 1 1   1  43 o 43.25793 18.01613 18.47033       75.71889 15.49620       108.5382 21.29011       105.6842 49.91815 21.22187 50.03233 21.08995 -0.1141777     29.91912 
1 1 1 1   1  44 o 106.9778 13.54988 351.9143       83.10773 418.1281       120.7090 292.2399       114.5935 114.6004 18.59676 94.34361 21.22584 20.25678       28.22013 
1 1 1 1   1  45 o 51.47162 19.42091 66.84890       80.01523 38.38007       114.4095 94.10586       111.9479 53.11774 22.13599 60.05224 22.89883 -6.934502      31.84899 
1 1 1 1   1  46 o 126.1023 11.92067 485.7695       87.11411 639.6579       126.0012 344.8526       120.5739 143.1419 15.24341 101.8729 20.88306 41.26899       25.85466 
1 1 1 1   1  47 o 47.17191 19.14243 40.20860       82.64440 55.95291       117.1828 24.62764       116.5733 54.95367 22.60475 51.27483 21.90203 3.678848       31.47497 
1 1 1 1   1  48 o 142.2090 12.20484 621.9023       100.8076 594.0862       142.7777 649.5520       142.3503 135.0616 18.51167 142.0570 17.45252 -6.995331      25.44155 
1 1 1 1   1  49 o 90.48556 19.47852 275.8040       100.3055 303.8336       145.6048 250.4879       138.3777 90.95128 25.99678 82.93427 25.75463 8.017014       36.59418 
1 1 1 1   1  50 o 133.0921 14.47619 559.9053       111.1760 468.3183       155.7885 654.9539       158.7054 114.7921 23.91768 139.8399 19.91335 -25.04785      31.12229 
1 1 1 1   1  51 o 97.29232 21.33562 329.6627       118.3807 276.2549       164.0570 387.6793       170.9892 84.57101 28.21058 100.0753 28.02550 -15.50433      39.76513 
1 1 1 1   2  0  o 73.71842 8.338620 161.5145       35.41908 161.5145       35.41908 0.000000       0.000000 73.71842 8.338620 ?        ?        0.000000       8.338620 
1 1 1 1   2  1  o ?        ?        -12.82863      1.163065 -12.82863      1.163065 0.000000       0.000000 ?        ?        ?        ?        0.000000       ?        
1 1 1 1   2  2  o ?        ?        -63.39498      3.384292 -63.39498      3.384292 0.000000       0.000000 ?        ?        ?        ?        0.000000       ?        
1 1 1 1   2  3  f 151.1984 4.772976 671.2073       42.27102 630.6467       58.01480 717.1104       61.71732 146.4568 6.772612 156.1954 6.753294 -9.738632      9.564269 
1 1 1 1   2  4  o 302.5149 4.370045 2684.144       77.53239 2616.287       106.8094 2759.725       112.7243 298.6366 6.098398 306.7102 6.266697 -8.073578      8.744252 
1 1 1 1   2  5  o 285.7571 4.236340 2394.974       70.99673 2328.323       97.67257 2469.640       103.3794 281.7263 5.911460 290.1469 6.075268 -8.420593      8.476688 
1 1 1 1   2  6  o 583.2468 7.271569 9981.123       248.7316 10008.03       352.8670 9954.557       350.6627 583.8601 10.30509 582.3008 10.26814 1.559326       14.54749 
1 1 1 1   2  7  o 331.2851 4.683368 3219.075       90.99356 3220.011       128.6861 3218.139       128.6826 331.2924 6.623227 331.1961 6.624971 0.9634399E-01  9.367890 
1 1 1 1   2  8  o 662.5839 8.154278 12884.26       316.8669 12879.01       447.8854 12889.53       448.3499 662.1766 11.53301 662.4461 11.54027 -0.2695313     16.31527 
1 1 1 1   2  9  o 620.5074 7.695185 11299.99       280.0378 11454.81       403.1884 11155.68       389.2458 624.4706 11.00894 616.2856 10.76940 8.184998       15.40054 
1 1 1 1   2  10 o 807.6906 9.786408 19160.75       463.5738 19448.51       668.8537 18894.74       643.0897 813.0408 14.02711 801.4467 13.68190 11.59418       19.59475 
1 1 1 1   2  11 o 459.9825 6.003193 6209.135       161.9474 6218.142       229.1003 6200.139       228.9563 460.1422 8.489519 459.4751 8.496500 0.6671143      12.01093 
1 1 1 1   2  12 o 645.5775 7.996700 12239.16       302.7678 12464.23       438.4131 12033.95       418.6285 650.9818 11.48323 639.7005 11.15839 11.28131       16.01169 
1 1 1 1   2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   2  14 o 275.5245 4.502748 2226.888       72.75926 2181.964       101.0230 2275.306       104.8796 272.6834 6.317006 278.4515 6.422303 -5.768097      9.008360 
1 1 1 1   2  15 o 322.9514 6.827656 3060.390       129.3181 3365.047       201.1292 2845.687       168.8447 338.3607 10.14695 311.1950 9.261642 27.16568       13.73822 
1 1 1 1   2  16 o 719.0212 8.843819 15173.47       372.9341 14802.66       509.7716 15600.44       547.0123 709.8958 12.24420 728.7177 12.79933 -18.82190      17.71280 
1 1 1 1   2  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   2  18 o 219.1101 4.991258 1408.158       64.13912 1369.786       90.97707 1446.076       90.43817 215.9563 7.193197 221.9062 6.957749 -5.949860      10.00762 
1 1 1 1   2  19 o 1105.444 13.22973 35898.08       857.7059 36249.22       1229.894 35565.61       1196.744 1109.806 18.89601 1099.362 18.56136 10.44434       26.48742 
1 1 1 1   2  20 o 532.8843 7.103963 8331.526       222.0159 8241.503       309.5793 8426.854       318.5696 529.8572 9.962367 535.7720 10.13850 -5.914795      14.21400 
1 1 1 1   2  21 o 803.9231 9.901401 18973.58       466.8331 18558.79       639.8157 19445.81       682.6694 794.6655 13.72840 813.3566 14.31130 -18.69110      19.83135 
1 1 1 1   2  22 o 675.0872 8.496306 13376.62       336.3880 13293.85       471.4711 13462.44       480.0951 672.6879 11.95063 676.9249 12.09306 -4.237061      17.00176 
1 1 1 1   2  23 o 447.6981 6.257895 5880.853       164.3100 5718.459       225.2593 6065.499       240.1984 441.3553 8.702496 454.5323 9.010621 -13.17700      12.52696 
1 1 1 1   2  24 o 293.0549 5.361247 2519.634       92.14362 2522.853       131.0162 2516.484       129.6166 293.0673 7.629156 292.7015 7.556985 0.3657227      10.73834 
1 1 1 1   2  25 o 354.3044 5.642291 3683.498       117.2418 3702.552       167.3084 3665.113       164.3413 355.0992 8.033735 353.3053 7.931331 1.793915       11.28924 
1 1 1 1   2  26 o 401.3047 5.883063 4726.463       138.4613 4951.334       205.0059 4537.841       187.7567 410.5503 8.514311 393.0634 8.144836 17.48697       11.78269 
1 1 1 1   2  27 o 652.4595 8.222109 12507.71       314.6207 12843.38       459.7957 12212.17       431.4386 660.4567 11.87053 644.1199 11.42094 16.33679       16.47262 
1 1 1 1   2  28 o 111.2961 8.761714 366.4097       56.72903 422.9682       79.61468 308.0771       80.85358 119.2845 11.52374 101.2258 13.99326 18.05875       18.12755 
1 1 1 1   2  29 o 246.4032 5.738659 1782.624       82.92917 1860.949       95.47769 1542.016       167.3428 251.6322 6.475095 228.2916 12.54699 23.34056       14.11927 
1 1 1 1   2  30 o 539.1032 10.03389 8559.272       317.2429 8577.469       444.9744 8540.462       452.4166 538.3670 14.10524 537.1089 14.37528 1.258118       20.13967 
1 1 1 1   2  31 o 421.3469 6.445465 5216.119       159.2739 5281.338       187.7877 5048.932       300.6637 423.8185 7.555039 413.2660 12.41920 10.55243       14.53669 
1 1 1 1   2  32 o 203.5349 6.190601 1218.188       73.81032 1188.749       81.60623 1350.561       173.0447 200.9862 6.933578 213.1554 13.91853 -12.16922      15.54992 
1 1 1 1   2  33 o 159.1647 7.379150 746.4466       68.69419 805.5046       75.44392 459.9931       166.1544 165.3089 7.803783 121.5218 24.16447 43.78707       25.39332 
1 1 1 1   2  34 o 66.84129 16.85818 137.9360       66.06561 155.7693       70.61160 12.66240       187.1497 70.98273 17.15425 65.52187 27.86157 5.460869       32.71904 
1 1 1 1   2  35 o 306.5969 6.581767 2762.519       118.3480 2696.895       131.1678 3049.865       274.4715 302.8477 7.385034 320.4458 14.64339 -17.59811      16.40023 
1 1 1 1   2  36 o 249.9667 6.650357 1838.115       97.40734 1767.957       106.3886 2201.806       242.2262 245.0511 7.411176 271.8271 15.25541 -26.77592      16.96034 
1 1 1 1   2  37 o 211.4295 7.393128 1316.999       91.53254 1279.847       99.75298 1514.951       230.2570 208.3125 8.180981 224.4322 17.63508 -16.11974      19.44028 
1 1 1 1   2  38 o 79.34012 16.46021 194.9272       74.07837 271.5802       109.9766 131.2635       100.2263 93.05448 20.68745 66.90922 22.04053 26.14526       30.22839 
1 1 1 1   2  39 o 221.7737 7.923536 1451.433       102.8919 1530.809       147.7521 1376.697       143.3691 227.0759 11.12850 215.2487 11.39764 11.82715       15.92953 
1 1 1 1   2  40 o 61.56491 19.69956 113.3493       80.39286 147.7681       112.4943 77.42380       114.9302 70.49168 23.35591 59.88034 23.10780 10.61134       32.85527 
1 1 1 1   2  41 o 109.6088 13.87977 364.9271       87.22587 350.4989       122.9482 379.5483       123.7680 105.3221 20.64292 109.9457 19.92822 -4.623619      28.69257 
1 1 1 1   2  42 o 168.1916 9.493765 842.2407       93.26666 801.8592       132.2199 882.2326       131.5804 162.6613 13.99592 170.9596 13.22620 -8.298355      19.25665 
1 1 1 1   2  43 o 132.1613 11.30286 526.4774       86.76762 423.3715       121.3987 634.1542       124.0605 115.7506 18.50603 143.7634 14.93135 -28.01276      23.77853 
1 1 1 1   2  44 o 104.5064 13.80744 336.7033       82.55811 434.0237       118.9474 246.2421       114.6791 117.1165 17.88367 86.07906 22.47703 31.03748       28.72355 
1 1 1 1   2  45 o 164.7294 9.745537 814.0310       93.73081 830.9748       131.1125 796.3203       134.0470 164.6647 13.70067 160.8330 14.36219 3.831772       19.84895 
1 1 1 1   2  46 o 73.77183 19.01321 179.4951       82.77853 123.7208       115.7105 237.9626       118.4713 64.29056 23.52392 83.38454 23.31942 -19.09398      33.12355 
1 1 1 1   2  47 o 42.34690 18.35108 2.129794       84.12012 -30.15076      119.9086 33.41263       118.0410 46.54115 20.94237 52.46677 22.21100 -5.925625      30.52723 
1 1 1 1   2  48 o 67.48598 21.44972 152.8027       95.43941 176.5504       135.9971 129.7579       133.9692 72.28671 25.62274 65.70097 25.05068 6.585732       35.83380 
1 1 1 1   2  49 o 57.48874 21.77747 94.93851       100.8431 114.4177       141.9182 75.07277       143.3196 63.90862 25.37462 59.63216 24.80700 4.276459       35.48603 
1 1 1 1   2  50 o 106.4844 18.19447 375.3256       109.5475 289.4876       152.5338 466.7618       157.4292 87.66772 27.00863 114.2915 24.23910 -26.62375      36.29049 
1 1 1 1   2  51 o 55.40429 22.75199 68.69484       118.4573 143.8084       168.7577 -4.261655      166.3169 68.29601 27.48276 54.81689 24.66545 13.47913       36.92812 
1 1 1 1   3  0  o 21.35467 7.090580 12.64078       10.36668 12.64078       10.36668 0.000000       0.000000 21.35467 7.090580 ?        ?        0.000000       7.090580 
1 1 1 1   3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   3  2  o 268.4267 5.843238 2113.665       91.98771 2051.270       126.2194 2184.348       134.3406 264.2623 8.153806 272.6934 8.410108 -8.431152      11.71386 
1 1 1 1   3  3  o 223.4688 4.330047 1464.686       56.74923 1457.084       68.46058 1481.381       101.4560 222.8774 5.237500 224.5558 7.715224 -1.678421      9.325025 
1 1 1 1   3  4  o 231.9476 3.786011 1577.863       51.50178 1578.432       72.66389 1577.288       73.00633 231.9712 5.341141 231.8868 5.368266 0.8439636E-01  7.572719 
1 1 1 1   3  5  o 1032.487 24.79306 31472.87       1501.293 0.000000       0.000000 31472.87       1501.293 ?        ?        1032.487 24.79306 0.000000       24.79306 
1 1 1 1   3  6  f 519.1091 6.579299 7905.801       200.3036 7997.355       287.3826 7819.303       279.3330 521.9767 9.387691 516.1418 9.227895 5.834900       13.16369 
1 1 1 1   3  7  o 934.2110 12.95380 25642.46       709.7291 25567.90       865.4658 25795.55       1240.166 932.4032 15.82689 935.1276 22.61301 -2.724426      27.60143 
1 1 1 1   3  8  o 375.9754 5.129956 4146.551       113.1159 4083.237       157.1846 4214.561       162.9090 373.0331 7.184756 378.9792 7.329582 -5.946136      10.26370 
1 1 1 1   3  9  o 566.4489 7.110826 9416.067       236.2279 9312.175       329.1066 9526.481       339.2791 563.1107 9.965344 569.5370 10.15745 -6.426331      14.22961 
1 1 1 1   3  10 o 223.3396 3.930745 1463.095       51.48624 1510.858       74.07399 1418.452       71.61343 226.9243 5.565885 219.8053 5.559741 7.119034       7.867007 
1 1 1 1   3  11 o 84.23434 6.177981 209.3520       30.30784 252.8238       46.09314 176.2415       40.22678 92.38225 8.606417 76.92509 9.092064 15.45716       12.51943 
1 1 1 1   3  12 o 218.0525 4.534612 1394.904       57.98980 1407.401       72.66083 1372.979       96.24230 218.9256 5.663935 216.1079 7.605405 2.817627       9.482739 
1 1 1 1   3  13 o 206.5645 5.548135 1252.912       67.15215 1259.432       97.22520 1246.964       92.86007 206.9492 8.025806 205.9437 7.701862 1.005432       11.12350 
1 1 1 1   3  14 o 357.9459 7.242492 3760.456       152.0393 3760.456       152.0393 0.000000       0.000000 357.9459 7.242492 ?        ?        0.000000       7.242492 
1 1 1 1   3  15 o 503.9243 9.223396 7454.891       272.5880 7454.891       272.5880 0.000000       0.000000 503.9243 9.223396 ?        ?        0.000000       9.223396 
1 1 1 1   3  16 o 328.7702 5.706927 3170.727       110.0387 3214.589       138.1346 3094.556       182.0323 331.0040 7.115717 324.5524 9.573885 6.451569       11.92865 
1 1 1 1   3  17 o 585.8997 7.459949 10071.73       256.3360 9676.417       343.7348 10567.00       384.7506 574.1500 10.20816 599.9449 10.93497 -25.79486      14.95928 
1 1 1 1   3  18 o 406.9840 5.748172 4858.659       137.2011 4668.423       185.4353 5088.771       203.9463 398.8785 7.926862 416.4350 8.350606 -17.55652      11.51381 
1 1 1 1   3  19 o 562.5759 7.292767 9285.843       240.6157 9299.820       340.4789 9271.897       340.0856 562.8447 10.31457 561.9988 10.31816 0.8458252      14.58954 
1 1 1 1   3  20 o 413.7365 6.236475 5021.731       151.3260 5027.278       214.5160 5016.236       213.5021 413.8759 8.837694 413.4224 8.805573 0.4535217      12.47569 
1 1 1 1   3  21 f 733.1764 9.166480 15778.71       394.1501 15699.64       554.0195 15859.75       560.8683 730.9764 12.92323 734.6838 13.01697 -3.707336      18.34261 
1 1 1 1   3  22 o 193.3156 6.363229 1097.626       72.04483 1067.587       106.3338 1123.117       97.95473 190.4533 9.550374 195.4239 8.567495 -4.970596      12.83011 
1 1 1 1   3  23 o 265.7423 6.048692 2071.953       94.26982 2184.600       125.0944 1923.906       143.4099 272.7081 7.829594 255.7884 9.576687 16.91968       12.36994 
1 1 1 1   3  24 o 264.6843 5.308314 2055.402       82.40153 2007.379       115.8014 2104.659       117.2793 261.3968 7.561706 267.6662 7.478308 -6.269348      10.63506 
1 1 1 1   3  25 o 230.6284 5.582431 1560.748       75.50690 1559.897       108.0160 1561.561       105.5911 230.3467 8.007860 230.4831 7.822899 -0.1363983     11.19480 
1 1 1 1   3  26 o 124.4811 7.756976 456.8283       56.34854 427.3089       61.26022 619.0847       143.6237 120.2847 8.743662 143.7363 17.39083 -23.45166      19.46516 
1 1 1 1   3  27 o 185.7616 6.811572 1014.629       74.08287 1014.629       74.08287 0.000000       0.000000 185.7616 6.811572 ?        ?        0.000000       6.811572 
1 1 1 1   3  28 f 159.5070 6.514158 748.3992       60.80985 776.5474       66.87756 614.0531       146.1061 162.4426 7.036575 142.8626 17.82482 19.58000       19.16345 
1 1 1 1   3  29 f 254.1599 5.702823 1896.622       85.00556 1852.653       94.88058 2075.479       191.3626 251.0701 6.448986 264.9780 12.34788 -13.90788      13.93053 
1 1 1 1   3  30 o 65.19147 13.86329 130.3737       51.37134 137.5822       55.67832 89.11323       133.2074 66.91347 14.59948 65.08024 24.93849 1.833229       28.89763 
1 1 1 1   3  31 o 253.8273 5.787741 1892.272       86.15845 1902.855       97.73414 1855.368       182.5108 254.3953 6.556149 250.3174 12.47146 4.077927       14.08972 
1 1 1 1   3  32 o 85.51500 11.64063 219.7556       56.86646 178.5586       61.21756 479.0469       153.5808 76.46905 14.17197 124.6737 21.79769 -48.20467      25.99969 
1 1 1 1   3  33 o 464.3318 7.053610 6337.786       192.0836 6159.340       217.3809 6973.404       410.2667 457.5703 8.100523 484.9681 14.44065 -27.39774      16.55750 
1 1 1 1   3  34 o 293.5363 6.515632 2531.860       112.1680 2449.736       123.8851 2905.434       264.2242 288.5658 7.326138 312.8671 14.43893 -24.30127      16.19120 
1 1 1 1   3  35 o 221.9916 7.054444 1450.196       91.72720 1403.824       98.79745 1739.840       246.9169 218.3323 7.727921 241.0820 17.58459 -22.74969      19.20778 
1 1 1 1   3  36 o 491.2024 7.434871 7097.551       214.1827 7058.793       246.8715 7215.522       430.7051 489.6001 8.597634 492.7119 14.92235 -3.111847      17.22196 
1 1 1 1   3  37 o 513.9774 10.27749 7799.373       309.8000 7718.541       415.6902 7900.359       464.6306 509.6868 13.91947 514.9067 15.40342 -5.219910      20.76095 
1 1 1 1   3  38 o 200.9576 7.560653 1190.899       88.94859 1237.887       96.52704 926.4167       229.0099 204.8129 8.051713 172.9894 23.15361 31.82346       24.51366 
1 1 1 1   3  39 o 133.1624 10.67673 528.0921       82.68347 516.0037       114.3897 541.3184       119.6520 130.5895 15.22079 133.7068 15.54832 -3.117264      21.75827 
1 1 1 1   3  40 o 174.9778 9.260752 907.3917       94.69577 837.4845       132.3331 980.7557       135.5655 167.0445 13.62610 181.0718 12.84927 -14.02731      18.72897 
1 1 1 1   3  41 o 171.2036 9.635400 870.8613       96.35557 838.5782       134.9218 904.4650       137.6540 166.8109 13.91809 173.3682 13.64844 -6.557343      19.49341 
1 1 1 1   3  42 o 194.1554 8.779713 1119.334       99.71376 1123.912       143.3267 1115.040       138.8146 193.2443 12.71717 192.6160 12.35344 0.6283417      17.72946 
1 1 1 1   3  43 o 102.5523 13.89926 323.4307       81.44652 333.2175       116.7448 314.1506       113.6818 101.6703 20.29045 98.63475 20.32841 3.035545       28.72189 
1 1 1 1   3  44 o 53.01047 19.31429 76.20785       77.88103 129.0183       110.5785 24.22606       109.7075 65.54141 23.11617 50.85258 21.46443 14.68883       31.54487 
1 1 1 1   3  45 o 99.28192 15.86122 310.4791       89.24785 326.1117       116.3947 288.1745       139.0320 99.63853 20.59934 91.60184 25.12760 8.036682       32.49198 
1 1 1 1   3  46 o 59.75227 20.22801 111.2783       84.32879 161.9341       117.8762 58.17383       120.6915 70.37331 23.91449 55.99070 22.97618 14.38262       33.16335 
1 1 1 1   3  47 o 138.2282 11.74466 584.0361       94.31043 447.1720       131.8963 727.2150       134.9047 116.3978 20.04453 152.2838 15.31272 -35.88601      25.22424 
1 1 1 1   3  48 o 123.6805 14.10314 478.9712       100.4723 469.9506       142.7179 487.8347       141.4688 117.9038 21.42863 120.6647 20.73802 -2.760849      29.82032 
1 1 1 1   3  49 f 161.0221 12.19385 799.1985       114.2974 793.9510       160.9507 804.5369       162.3401 156.2714 17.88325 157.2896 17.91759 -1.018219      25.31502 
1 1 1 1   3  50 o 190.7777 11.12754 1113.961       123.9618 1069.300       176.7112 1157.232       173.9386 182.2136 16.72240 190.5950 15.69996 -8.381470      22.93747 
1 1 1 1   3  51 o 224.1911 10.77341 1536.017       141.2372 1635.465       204.3349 1445.038       195.4408 226.5828 15.46956 212.5865 15.78849 13.99638       22.10393 
1 1 1 1   4  0  o 786.0589 13.51746 18155.56       623.1617 17881.22       862.6853 18454.89       901.1392 779.3499 18.87424 791.6634 19.40890 -12.31348      27.07290 
1 1 1 1   4  1  o 485.2354 7.197717 6908.355       204.8320 7166.603       261.5180 6498.488       329.4619 494.1406 9.024031 470.2324 11.95624 23.90817       14.97948 
1 1 1 1   4  2  o 581.5790 10.28411 9929.939       350.7728 10251.08       515.9413 9653.912       478.3268 590.3407 14.91403 573.1320 14.23048 17.20874       20.61395 
1 1 1 1   4  3  f 73.54623 7.028361 160.1472       29.94721 142.3141       42.15509 178.3171       42.55117 68.79453 10.80396 77.35217 9.584586 -8.557632      14.44264 
1 1 1 1   4  4  f 426.4531 6.033034 5335.045       150.8890 5207.131       173.2179 5737.464       307.2363 421.2799 7.010863 441.8302 11.86752 -20.55026      13.78370 
1 1 1 1   4  5  o 382.4702 5.496881 4291.025       123.3004 4334.941       146.6802 4185.250       227.6403 384.3966 6.506411 377.4287 10.29365 6.967957       12.17754 
1 1 1 1   4  6  o 363.3596 5.321990 3872.873       113.4126 3856.887       132.6886 3916.215       218.4890 362.5872 6.239798 365.0878 10.21430 -2.500610      11.96942 
1 1 1 1   4  7  o 397.9285 5.674572 4645.187       132.4307 4673.339       156.7514 4574.985       247.5292 399.1014 6.696959 394.5652 10.70677 4.536194       12.62871 
1 1 1 1   4  8  o 498.9467 6.794576 7304.760       198.8232 7269.108       232.8616 7400.675       381.9415 497.6675 7.978258 501.6198 12.99384 -3.952271      15.24770 
1 1 1 1   4  9  o 464.7554 6.038713 6337.610       164.5960 6408.627       235.5570 6269.854       230.0872 467.2106 8.596719 462.1313 8.489394 5.079346       12.08194 
1 1 1 1   4  10 o 479.6717 6.196284 6752.047       174.3114 6788.260       247.8287 6716.592       245.2193 480.7733 8.789432 478.2324 8.743092 2.540833       12.39741 
1 1 1 1   4  11 o 334.4658 4.787755 3282.043       93.91484 3246.024       131.0517 3320.068       134.6528 332.5437 6.719598 336.3097 6.826929 -3.765991      9.579142 
1 1 1 1   4  12 o 209.8396 5.332143 1292.850       65.56738 1391.140       98.51784 1214.696       87.84909 217.5279 7.734659 203.2718 7.381274 14.25607       10.69150 
1 1 1 1   4  13 o 644.6482 9.246123 12206.49       349.5691 12569.90       445.8548 11626.66       563.1786 653.8573 11.62679 628.2440 15.28506 25.61328       19.20457 
1 1 1 1   4  14 o 731.4080 8.953396 15706.79       384.0591 15614.84       538.7190 15801.82       547.6748 728.8134 12.60362 733.1447 12.73745 -4.331299      17.91909 
1 1 1 1   4  15 o 778.9559 10.96386 17819.53       500.8722 18362.13       638.8064 16953.61       806.9916 790.3837 13.78100 758.8099 18.13366 31.57385       22.77599 
1 1 1 1   4  16 o 389.8745 7.770116 4460.097       177.6654 4460.097       177.6654 0.000000       0.000000 389.8745 7.770116 ?        ?        0.000000       7.770116 
1 1 1 1   4  17 o 511.0967 7.646976 7664.338       229.2152 7779.018       286.9447 7462.132       381.0222 514.8262 9.503576 503.8796 12.90418 10.94662       16.02610 
1 1 1 1   4  18 o 244.5623 4.920290 1754.299       70.57172 1675.693       96.76216 1843.628       103.1509 238.8925 6.913685 250.5819 7.025892 -11.68944      9.857089 
1 1 1 1   4  19 o 632.9214 8.032977 11754.75       298.1789 11800.83       422.4515 11708.99       420.9298 633.9468 11.36249 631.4750 11.36588 2.471802       16.07138 
1 1 1 1   4  20 o 873.1787 12.36727 22395.72       633.3263 22299.95       768.2650 22598.82       1118.818 870.9555 15.04058 875.5660 21.78814 -4.610535      26.47531 
1 1 1 1   4  21 f 195.5734 7.273541 1123.874       83.28157 1091.477       89.66239 1327.492       224.7856 192.6914 7.951180 211.5589 18.29668 -18.86752      19.94968 
1 1 1 1   4  22 o 713.9797 9.460251 14966.22       396.1312 14963.61       464.9305 14973.11       756.6900 713.7561 11.10677 712.7811 18.11605 0.9750366      21.24974 
1 1 1 1   4  23 o 264.7529 5.861184 2056.520       91.00738 2050.836       102.5386 2077.611       197.5303 264.2847 6.620747 265.5434 12.72075 -1.258636      14.34056 
1 1 1 1   4  24 o 462.2087 6.848258 6270.095       185.6388 6217.331       214.6578 6426.632       369.7290 460.1902 7.953508 467.1635 13.50891 -6.973389      15.67638 
1 1 1 1   4  25 o 185.3085 6.347481 1009.019       68.88197 962.2812       75.30499 1248.472       170.4499 180.9122 7.111351 205.3991 14.23784 -24.48685      15.91501 
1 1 1 1   4  26 o 347.8064 7.074947 3551.837       144.3149 3516.773       176.2216 3623.241       251.4729 345.8636 8.694571 350.6250 12.24800 -4.761383      15.02029 
1 1 1 1   4  27 o 191.4530 5.942668 1077.024       66.64507 1015.327       72.80417 1396.081       165.5607 185.8312 6.691084 217.2500 13.05434 -31.41879      14.66924 
1 1 1 1   4  28 o 451.9360 6.767929 5998.894       179.3838 5988.810       208.5937 6027.528       351.4926 451.4276 7.878846 451.7912 13.28005 -0.3636169     15.44137 
1 1 1 1   4  29 o 173.5858 6.519291 886.3074       66.25105 865.1628       72.67728 990.2606       161.1454 171.4373 7.244740 182.3213 15.20899 -10.88394      16.84635 
1 1 1 1   4  30 o 470.1026 7.026709 6494.606       193.7292 6459.936       226.1147 6590.305       375.6686 468.6570 8.226652 471.9576 13.58638 -3.300537      15.88293 
1 1 1 1   4  31 o 222.9113 6.936669 1461.822       90.57424 1458.828       105.5770 1470.169       176.2760 222.5514 8.102406 222.5349 13.57108 0.1641846E-01  15.80579 
1 1 1 1   4  32 o 74.20429 13.96168 168.2189       58.53063 161.8466       62.71406 211.2579       162.9861 72.55276 15.22502 84.88411 28.11256 -12.33135      31.97057 
1 1 1 1   4  33 o 285.8047 6.257484 2399.900       104.8865 2334.009       116.6557 2677.913       239.6209 281.6916 7.066827 300.5280 13.63080 -18.83633      15.35379 
1 1 1 1   4  34 o 236.4467 6.988358 1644.727       96.80151 1575.775       105.0475 2032.912       249.2482 231.3457 7.753325 261.1130 16.35839 -29.76729      18.10279 
1 1 1 1   4  35 o 26.85158 13.09750 -123.0693      67.17487 -94.54202      71.04665 -363.6092      206.3037 30.13232 14.38457 47.12288 22.97819 -16.99055      27.10928 
1 1 1 1   4  36 o 222.9069 9.928840 1468.167       129.4736 1434.874       156.6846 1539.841       229.8965 219.9348 12.19510 226.5404 17.43768 -6.605576      21.27894 
1 1 1 1   4  37 o 97.94586 13.81586 290.2288       77.16058 266.0049       82.02756 476.3799       227.3894 93.31512 15.53435 121.2894 31.64046 -27.97430      35.24818 
1 1 1 1   4  38 o 213.1897 7.593646 1340.217       94.79224 1365.057       102.9689 1202.188       242.7280 215.0635 8.178640 198.1364 21.21843 16.92711       22.74009 
1 1 1 1   4  39 o 90.78381 14.38047 251.4954       74.01684 265.2741       77.90466 123.6910       237.2638 93.20404 14.74184 80.94721 32.58234 12.25683       35.76214 
1 1 1 1   4  40 o 146.6824 10.03123 639.7744       85.77497 610.2514       90.94283 877.6168       258.1271 143.0569 10.92207 165.4303 27.57545 -22.37341      29.65969 
1 1 1 1   4  41 o 64.40829 19.23419 128.6690       78.19248 128.0276       109.7017 129.3314       111.4815 66.59958 23.05609 66.98041 23.23950 -0.3808289     32.73618 
1 1 1 1   4  42 o 36.34678 16.36330 -31.73969      73.30823 8.331412       100.5637 -77.18119      107.0908 47.70283 20.35846 40.91968 18.92837 6.783150       27.79838 
1 1 1 1   4  43 o 123.9221 11.52239 464.0466       82.78230 293.3559       119.7536 620.2597       114.5625 94.55546 22.00881 142.5375 13.88009 -47.98208      26.02008 
1 1 1 1   4  44 o 85.94176 16.26474 233.8765       78.97739 136.2339       115.9125 318.4855       107.8993 67.07225 23.66616 99.39908 19.20425 -32.32683      30.47770 
1 1 1 1   4  45 o 177.0649 9.585305 939.8195       99.16690 958.3979       139.4740 920.8253       141.0253 176.9219 13.54490 173.1489 14.00707 3.773056       19.48492 
1 1 1 1   4  46 o 54.19635 20.89340 73.48252       93.89067 42.15130       121.6754 119.5968       147.6155 54.24767 22.73331 66.46571 26.03586 -12.21805      34.56399 
1 1 1 1   4  47 o 33.62461 15.93885 -87.68886      84.18269 -113.7645      122.3770 -64.26617      115.9846 40.74884 19.28681 42.90417 19.79385 -2.155334      27.63653 
1 1 1 1   4  48 o 80.94875 20.35390 222.5460       96.51598 -10.10438      137.6199 447.7368       135.3957 51.05232 22.74239 115.4347 20.76275 -64.38235      30.79461 
1 1 1 1   4  49 o 65.33888 22.39831 142.2259       103.4449 118.3713       147.8936 165.0752       144.7437 64.82273 25.84899 70.39274 26.21123 -5.570007      36.81302 
1 1 1 1   4  50 o 80.48885 21.73966 227.4077       105.0178 312.2591       165.6236 170.3551       135.8097 90.04554 28.20921 70.34072 25.52331 19.70482       38.04206 
1 1 1 1   4  51 o 72.32557 23.71447 186.3571       116.0813 243.8103       175.8716 142.0069       154.5206 79.96947 29.04087 67.23293 26.54599 12.73654       39.34542 
1 1 1 1   5  0  o 243.4889 5.528168 1739.106       78.94250 1591.529       101.9187 1960.422       124.8110 232.7765 7.475285 258.3331 8.248581 -25.55661      11.13189 
1 1 1 1   5  1  o 408.7435 6.309608 4901.331       151.2529 5093.713       192.8033 4593.459       243.9023 416.6363 7.890542 395.4028 10.52718 21.23352       13.15607 
1 1 1 1   5  2  o 433.0065 6.594983 5500.710       167.4783 5811.354       217.4855 5048.098       262.5202 445.0013 8.333331 414.5010 10.80830 30.50024       13.64785 
1 1 1 1   5  3  o 114.7160 5.877076 387.0543       39.40815 382.7486       54.25068 391.8644       57.34069 113.9130 8.174829 115.2377 8.545138 -1.324730      11.82570 
1 1 1 1   5  4  o 275.0568 5.418634 2219.251       87.41032 2231.315       112.5149 2200.887       138.8233 275.6863 6.964538 273.7106 8.658984 1.975647       11.11228 
1 1 1 1   5  5  o 431.3521 7.223333 5459.349       182.7343 5481.900       236.2701 5425.780       288.2687 432.1573 9.322156 429.6805 11.44955 2.476837       14.76465 
1 1 1 1   5  6  o 607.2114 7.990492 10820.25       284.5536 10865.21       336.9152 10708.38       531.4572 608.3781 9.442706 603.4726 15.01621 4.905518       17.73841 
1 1 1 1   5  7  o 579.7207 7.702002 9862.838       261.8623 9840.173       307.6705 9922.409       498.8016 578.9663 9.061123 580.6835 14.65835 -1.717224      17.23285 
1 1 1 1   5  8  o 289.4608 4.673309 2457.788       79.33498 2428.118       91.36504 2548.724       159.9536 287.6919 5.415043 294.4778 9.273261 -6.785919      10.73853 
1 1 1 1   5  9  o 312.2025 4.899512 2859.438       89.70977 2888.033       105.2744 2783.609       171.4326 313.7351 5.721490 307.7053 9.511076 6.029785       11.09937 
1 1 1 1   5  10 o 486.1322 6.654277 6936.477       189.7168 6946.603       223.3906 6910.275       359.3296 486.3987 7.831088 484.4520 12.65797 1.946686       14.88456 
1 1 1 1   5  11 o 663.0532 8.672346 12914.04       337.2372 12843.35       394.3784 13106.33       650.4779 661.0232 10.17292 666.4415 16.64256 -5.418274      19.50546 
1 1 1 1   5  12 o 457.8046 6.360802 6151.186       170.7822 6071.139       197.5660 6387.829       339.6947 454.7456 7.407869 465.7903 12.44621 -11.04468      14.48395 
1 1 1 1   5  13 o 668.9189 8.792745 13139.50       344.9439 13071.82       403.8862 13321.95       663.1356 667.0163 10.32457 672.0803 16.83731 -5.063965      19.75074 
1 1 1 1   5  14 o 525.0724 11.04209 8098.796       340.0331 7740.352       545.9411 8325.976       434.6301 512.2328 18.20198 531.9277 13.94413 -19.69489      22.92926 
1 1 1 1   5  15 o 1100.283 13.87369 35579.50       895.2549 34657.05       1013.440 38856.97       1910.271 1085.542 15.91845 1145.760 28.42831 -60.21716      32.58168 
1 1 1 1   5  16 o 1124.198 14.27732 37136.50       941.3257 37276.43       1116.570 36792.68       1750.217 1125.847 16.91049 1116.105 26.73845 9.742065       31.63715 
1 1 1 1   5  17 o 488.9850 7.948525 7015.819       227.9463 7015.819       227.9463 0.000000       0.000000 488.9850 7.948525 ?        ?        0.000000       7.948525 
1 1 1 1   5  18 o 582.9412 7.877930 9971.062       269.3317 9997.080       316.4646 9902.704       512.9525 583.6326 9.245599 580.2619 15.08589 3.370667       17.69365 
1 1 1 1   5  19 o 708.8525 9.354218 14748.13       388.8785 14803.48       458.1883 14605.54       735.3629 710.0549 11.00276 704.3338 17.81646 5.721069       20.94008 
1 1 1 1   5  20 o 566.4155 7.965893 9414.648       264.6184 9489.913       309.7673 9211.419       509.0148 568.6013 9.289176 559.4907 15.52771 9.110657       18.09415 
1 1 1 1   5  21 o 606.8636 8.396094 10808.94       298.8264 11042.56       357.6374 10268.58       543.9101 613.2787 9.943390 590.6461 15.71576 22.63263       18.59721 
1 1 1 1   5  22 o 544.0771 7.713119 8687.525       246.1166 8668.595       286.9346 8740.227       478.7556 543.4036 9.003469 544.9028 14.99538 -1.499207      17.49068 
1 1 1 1   5  23 o 836.0636 10.92497 20536.96       535.6859 20387.42       625.3864 20948.96       1038.082 832.7146 12.80565 842.2217 21.01623 -9.507141      24.61029 
1 1 1 1   5  24 o 398.6968 6.342957 4664.891       148.3150 4656.354       170.2885 4691.713       301.8525 398.2825 7.290272 399.1505 12.91158 -0.8680420     14.82758 
1 1 1 1   5  25 o 162.0379 7.431190 772.5067       70.43166 772.5067       70.43166 0.000000       0.000000 162.0379 7.431190 ?        ?        0.000000       7.431190 
1 1 1 1   5  26 o 367.2040 6.058098 3957.849       130.4651 3826.776       145.6255 4490.865       293.6637 361.0216 6.877866 390.2759 12.84755 -29.25436      14.57273 
1 1 1 1   5  27 o 304.2440 6.555844 2717.993       116.9772 2717.993       116.9772 0.000000       0.000000 304.2440 6.555844 ?        ?        0.000000       6.555844 
1 1 1 1   5  28 o 124.1651 8.145776 455.0963       58.98986 423.8563       64.05495 629.5244       151.3578 119.6951 9.195275 144.5533 18.26033 -24.85821      20.44487 
1 1 1 1   5  29 o 145.8361 7.328942 626.5757       62.48310 599.3429       68.11882 771.0263       156.8845 142.5399 8.182935 160.3723 16.93565 -17.83238      18.80895 
1 1 1 1   5  30 o 243.5115 5.945188 1741.613       84.90545 1764.360       95.24062 1653.537       187.4073 244.9594 6.635563 236.1002 13.59186 8.859192       15.12512 
1 1 1 1   5  31 o 544.5249 7.748469 8719.842       247.4481 8583.757       285.4849 9130.902       496.1686 539.9844 9.014703 554.7122 15.26596 -14.72778      17.72892 
1 1 1 1   5  32 o 177.7189 8.044501 931.0131       83.62877 892.4714       93.57590 1083.934       186.3945 173.8510 9.210621 190.2081 16.88437 -16.35715      19.23323 
1 1 1 1   5  33 o 252.6459 6.532416 1876.889       96.71016 1808.300       106.4710 2200.359       231.2162 247.8943 7.331481 272.1485 14.53921 -24.25421      16.28309 
1 1 1 1   5  34 o 198.0870 9.352926 1158.081       108.3492 1041.529       121.4819 1611.406       239.5828 187.5774 11.09236 231.9937 17.74341 -44.41628      20.92532 
1 1 1 1   5  35 o 24.59056 12.22839 -171.3774      68.88091 -145.8276      73.22809 -367.6033      202.9375 27.30871 13.39489 46.36428 22.64780 -19.05557      26.31246 
1 1 1 1   5  36 o 341.8147 6.604641 3434.902       132.4008 3402.527       148.0360 3564.339       295.9976 340.0857 7.422128 346.1791 14.61216 -6.093384      16.38912 
1 1 1 1   5  37 o 188.9198 7.953596 1052.908       87.92628 999.9122       93.91007 1429.459       250.3237 183.9811 8.728279 217.0654 19.88416 -33.08432      21.71550 
1 1 1 1   5  38 o 264.4398 7.045413 2059.785       109.1683 2018.031       118.4265 2295.947       281.6451 261.6250 7.726720 276.0958 17.48349 -14.47079      19.11478 
1 1 1 1   5  39 o 282.1819 7.016210 2344.594       116.1134 2369.188       127.9186 2229.493       276.7300 283.4358 7.702492 271.7700 17.45446 11.66577       19.07843 
1 1 1 1   5  40 o 257.3514 7.478086 1954.167       112.7475 1919.782       122.2106 2150.753       292.2150 254.9195 8.184999 265.7110 18.87465 -10.79149      20.57296 
1 1 1 1   5  41 o 111.2309 12.64958 373.9402       81.05443 413.1165       85.95856 59.69877       243.4499 116.9557 12.73747 75.03223 31.83636 41.92351       34.28990 
1 1 1 1   5  42 o 27.36190 13.32714 -119.6338      68.84853 -175.3575      96.66047 -62.25164      98.08828 31.83757 15.56866 39.94463 18.34625 -8.107061      24.06176 
1 1 1 1   5  43 o 69.88027 18.12465 156.7353       74.90143 161.2068       105.3889 152.1714       106.4727 71.02479 22.53598 69.46608 22.70794 1.558708       31.99251 
1 1 1 1   5  44 o 69.97649 18.29940 158.3199       75.93762 218.4239       110.8467 105.1655       104.2414 81.05962 22.51496 61.06921 22.33046 19.99041       31.71077 
1 1 1 1   5  45 o 52.09842 19.53883 70.34249       80.72240 129.5886       117.3085 17.05826       111.2497 65.70039 23.73760 50.01135 21.38009 15.68904       31.94655 
1 1 1 1   5  46 o 78.81037 19.09539 205.3120       87.32172 128.3319       124.8092 279.1250       122.2148 65.58311 24.35494 90.25906 23.01900 -24.67595      33.51175 
1 1 1 1   5  47 f 57.75315 22.86131 81.42126       114.8697 96.76418       125.1008 -1.038037      290.0187 60.93768 23.93900 70.12450 31.95678 -9.186821      39.92883 
1 1 1 1   5  48 o 69.17411 21.39858 162.2568       95.63220 239.8635       139.4746 93.39989       131.3770 81.66222 25.92718 60.72505 24.31315 20.93717       35.54361 
1 1 1 1   5  49 o 83.61136 21.05681 241.3815       103.1799 200.5684       152.1251 276.1528       140.4142 75.29864 27.05404 86.79029 25.73995 -11.49165      37.34255 
1 1 1 1   5  50 o 192.0966 10.94233 1128.481       122.7665 1166.560       185.7202 1098.928       163.6101 190.1358 16.82859 186.1437 15.11689 3.992126       22.62127 
1 1 1 1   5  51 o 159.1520 13.99389 797.8845       129.2888 796.6072       192.1635 798.9409       174.7573 151.5009 22.29337 154.2002 19.77902 -2.699280      29.80275 
1 1 1 1   6  0  o 920.2426 22.19364 24968.53       1197.792 24968.53       1197.792 0.000000       0.000000 920.2426 22.19364 ?        ?        0.000000       22.19364 
1 1 1 1   6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   6  2  o 317.5927 5.351766 2958.691       99.68234 3052.523       124.6771 2792.429       165.9617 322.5630 6.590551 308.3083 9.188763 14.25470       11.30791 
1 1 1 1   6  3  o 165.4692 4.367167 803.6169       42.34359 802.1739       49.57765 807.5079       81.40938 165.2923 5.120436 165.6669 8.406401 -0.3745728     9.843091 
1 1 1 1   6  4  o 228.5698 5.854836 1533.613       78.41994 1501.941       107.5454 1569.574       114.5950 226.0842 8.124149 231.1049 8.469180 -5.020691      11.73579 
1 1 1 1   6  5  o 1083.604 16.33682 34545.29       1038.218 34485.62       1332.928 34637.33       1655.460 1081.506 21.01488 1082.300 26.08077 -0.7939453     33.49376 
1 1 1 1   6  6  o 503.8827 8.158091 7451.878       241.0841 7577.539       315.8233 7276.409       373.2045 507.9579 10.60147 497.4279 12.80346 10.53006       16.62287 
1 1 1 1   6  7  o 657.3686 9.299221 12688.22       358.5139 12526.19       499.7470 12860.04       514.6102 652.7478 13.05432 661.3615 13.26750 -8.613647      18.61295 
1 1 1 1   6  8  o 884.2542 11.31695 22979.27       586.8903 22729.52       681.7049 23694.46       1153.597 879.0811 13.22260 895.1720 21.97340 -16.09094      25.64503 
1 1 1 1   6  9  o 427.2681 5.996998 5357.298       150.2744 5351.842       175.9647 5372.000       288.8403 426.9911 7.026777 427.2690 11.53728 -0.2779541     13.50868 
1 1 1 1   6  10 o 543.5637 7.296821 8674.393       232.6133 8676.762       273.8959 8668.263       440.5984 543.5126 8.592616 542.3543 13.86326 1.158325       16.31021 
1 1 1 1   6  11 o 525.3826 7.092567 8103.155       218.5394 8004.145       252.8711 8395.329       434.3915 522.0599 8.259018 533.7533 13.88863 -11.69342      16.15875 
1 1 1 1   6  12 o 565.0713 11.26171 9386.636       373.2142 9386.636       373.2142 0.000000       0.000000 565.0713 11.26171 ?        ?        0.000000       11.26171 
1 1 1 1   6  13 o 348.9415 7.773043 3573.959       159.0722 3573.959       159.0722 0.000000       0.000000 348.9415 7.773043 ?        ?        0.000000       7.773043 
1 1 1 1   6  14 o 1204.487 15.18732 42669.68       1072.836 42580.72       1260.977 42902.88       2041.582 1202.540 17.87957 1203.072 28.93506 -0.5328369     34.01348 
1 1 1 1   6  15 o 733.2568 11.17250 15787.63       480.4597 15787.63       480.4597 0.000000       0.000000 733.2568 11.17250 ?        ?        0.000000       11.17250 
1 1 1 1   6  16 o 424.7579 8.215349 5294.087       204.6529 5294.087       204.6529 0.000000       0.000000 424.7579 8.215349 ?        ?        0.000000       8.215349 
1 1 1 1   6  17 o 579.8350 7.848222 9864.891       266.8863 9749.995       308.8406 10203.71       530.3520 576.3866 9.136292 589.0049 15.36618 -12.61835      17.87711 
1 1 1 1   6  18 o 1094.554 13.93446 35201.43       894.4950 34924.45       1043.013 35971.62       1739.226 1089.837 16.31841 1103.481 26.87450 -13.64453      31.44088 
1 1 1 1   6  19 o 479.0467 7.111970 6733.099       199.8105 6783.651       232.4212 6589.914       391.1612 480.7963 8.242596 473.3353 14.10656 7.461029       16.33816 
1 1 1 1   6  20 o 722.3756 9.710121 15318.83       411.3753 15147.49       475.7356 15826.68       819.0416 718.1847 11.29481 732.8539 19.07248 -14.66925      22.16602 
1 1 1 1   6  21 o 273.3770 6.164906 2192.584       98.84139 2166.456       109.6598 2305.750       228.2186 271.6396 6.888970 279.7168 13.95584 -8.077179      15.56353 
1 1 1 1   6  22 o 587.9496 8.098336 10146.33       279.2457 10108.73       325.2108 10251.85       544.8221 586.7596 9.450489 590.0192 15.75894 -3.259644      18.37542 
1 1 1 1   6  23 o 485.3380 7.068827 6913.191       201.2066 6868.697       232.5767 7045.563       401.1569 483.7027 8.198551 489.1574 13.99787 -5.454681      16.22210 
1 1 1 1   6  24 o 313.0967 5.879161 2876.595       107.9554 2786.369       120.2145 3252.521       245.3819 308.1174 6.652582 332.2751 12.61489 -24.15768      14.26157 
1 1 1 1   6  25 o 416.5997 7.342299 5095.746       179.3914 5095.746       179.3914 0.000000       0.000000 416.5997 7.342299 ?        ?        0.000000       7.342299 
1 1 1 1   6  26 o 318.0311 5.816835 2968.708       108.4943 2911.548       121.2191 3198.886       243.2534 314.9142 6.563393 329.3199 12.61812 -14.40570      14.22305 
1 1 1 1   6  27 o 241.1520 5.777934 1707.154       81.71729 1630.450       89.93183 2070.418       195.7109 235.5478 6.516305 264.7339 12.64188 -29.18616      14.22250 
1 1 1 1   6  28 o 148.9436 7.235868 653.3098       63.01756 664.5444       68.50034 591.4374       160.7538 150.1700 7.804624 139.5921 20.22430 10.57788       21.67798 
1 1 1 1   6  29 o 234.9109 5.993583 1621.621       82.50598 1557.215       89.62516 1979.396       211.2373 230.1387 6.647295 258.4025 13.99092 -28.26378      15.48975 
1 1 1 1   6  30 o 520.2756 7.455078 7957.848       227.4763 7968.452       266.2715 7929.199       437.6420 520.3771 8.724811 517.3326 14.43855 3.044495       16.86992 
1 1 1 1   6  31 o 169.2086 7.062792 843.0847       69.93483 848.9194       76.49621 813.3828       172.5915 169.7275 7.704976 164.2659 18.22133 5.461609       19.78341 
1 1 1 1   6  32 o 261.0554 6.355571 2002.409       97.30558 2000.193       109.7296 2010.568       210.5272 260.7407 7.182546 260.2598 13.84253 0.4809570      15.59502 
1 1 1 1   6  33 o 87.83723 20.77057 240.0097       105.3052 209.4513       126.4959 308.9971       190.0623 82.60236 24.41392 99.77805 30.03162 -17.17568      38.70320 
1 1 1 1   6  34 o 239.4946 8.526575 1690.105       119.5714 1568.840       134.8055 2137.507       258.9339 230.5199 9.994979 267.6840 16.57492 -37.16411      19.35530 
1 1 1 1   6  35 o 36.59233 16.23615 -23.64920      69.43827 -30.31307      74.11066 24.25629       198.7056 37.19579 16.62138 68.21912 28.84558 -31.02334      33.29171 
1 1 1 1   6  36 o 178.1255 7.995527 935.8318       83.31348 865.4749       88.87691 1445.615       239.2370 171.1656 8.884045 218.9657 18.81167 -47.80009      20.80397 
1 1 1 1   6  37 o 190.5200 7.902927 1070.833       88.11198 1037.553       93.75207 1322.728       257.9286 187.4340 8.551208 208.0883 21.44155 -20.65427      23.08383 
1 1 1 1   6  38 o 67.80386 18.58813 142.8616       76.10899 119.6235       80.09893 358.8360       244.1898 62.98836 19.60002 106.1550 34.36700 -43.16660      39.56326 
1 1 1 1   6  39 o 245.8991 7.294098 1782.687       105.0748 1778.260       113.3384 1809.764       280.3195 245.4827 7.882589 243.6761 19.78514 1.806595       21.29759 
1 1 1 1   6  40 o 161.0417 9.842715 770.5446       92.51765 728.5613       97.74410 1131.926       286.7713 156.3844 10.72216 188.4981 26.68578 -32.11366      28.75927 
1 1 1 1   6  41 o 198.4239 8.315578 1166.085       96.55463 1213.558       103.8535 863.5220       262.1848 202.3170 8.773482 162.0843 28.62794 40.23276       29.94216 
1 1 1 1   6  42 f 100.8100 13.27869 310.6222       76.60010 338.5172       80.85144 66.10356       239.3759 105.2690 13.39918 73.77068 31.44442 31.49833       34.18025 
1 1 1 1   6  43 o 59.94974 18.72502 112.2238       73.03300 137.0563       106.0440 89.81791       100.7293 66.76934 22.68261 58.48782 21.84850 8.281525       31.49377 
1 1 1 1   6  44 o 54.20204 18.76381 85.99270       72.65801 151.8699       107.7207 31.00430       98.41637 69.07132 22.85388 49.48069 20.56812 19.59063       30.74650 
1 1 1 1   6  45 o 65.22337 19.63203 137.9473       81.21985 29.71928       119.1859 231.7807       110.9773 52.76316 22.32663 82.98211 22.31986 -30.21895      31.56983 
1 1 1 1   6  46 f 178.2686 9.621886 955.7104       100.2243 899.4807       140.2478 1014.396       143.2780 170.4851 14.15436 181.4910 13.55888 -11.00594      19.60074 
1 1 1 1   6  47 o 86.84630 19.39937 251.1241       96.31126 116.9305       133.7384 395.6939       138.8126 64.33514 24.90007 107.4936 22.73040 -43.15849      33.71475 
1 1 1 1   6  48 o 99.83881 23.35598 349.2730       134.3104 384.9630       152.5563 226.2690       283.2155 103.4985 25.33995 82.63773 34.66039 20.86080       42.93549 
1 1 1 1   6  49 o 45.97794 20.01178 7.464151       100.9405 31.73730       147.6794 -13.81936      138.2861 55.82170 24.25178 50.48543 22.62169 5.336266       33.16459 
1 1 1 1   6  50 o 53.94706 21.73433 68.94884       105.6795 87.59646       154.0908 52.38849       145.2111 61.50516 25.66490 57.05285 24.40928 4.452305       35.41892 
1 1 1 1   6  51 o 102.4231 21.27983 364.6039       123.6449 422.2118       183.2054 316.4147       167.5607 103.4542 29.02290 89.89421 28.40283 13.56000       40.60849 
1 1 1 1   7  0  f 352.1559 7.118438 3638.689       147.0179 3503.180       198.4653 3803.476       218.8565 345.3065 9.810016 359.7736 10.38327 -14.46713      14.28456 
1 1 1 1   7  1  o 515.9698 9.294928 7814.592       281.2684 8381.102       431.7694 7396.957       370.7206 533.8445 13.80229 501.6235 12.61139 32.22101       18.69626 
1 1 1 1   7  2  o 409.0069 5.497204 4907.246       131.8630 4985.585       188.8961 4832.786       184.1591 412.1831 7.814159 405.8205 7.737641 6.362610       10.99692 
1 1 1 1   7  3  o 359.1467 5.823551 3783.950       122.6621 3870.271       152.6408 3626.583       206.0957 363.1812 7.166329 351.3140 10.01305 11.86719       12.31330 
1 1 1 1   7  4  o 451.2865 6.858771 5975.701       181.5303 5951.842       220.6573 6025.664       319.3117 450.3185 8.355029 452.7244 12.03693 -2.405884      14.65245 
1 1 1 1   7  5  o 320.2010 6.765932 3008.446       127.0577 2954.959       175.9800 3066.689       183.6379 317.1042 9.473231 323.0320 9.704182 -5.927887      13.56146 
1 1 1 1   7  6  o 183.8904 5.326882 992.8677       57.38847 1006.577       72.48975 969.8480       93.93474 185.0893 6.688975 181.5379 8.849501 3.551346       11.09306 
1 1 1 1   7  7  o 439.3768 7.464423 5666.512       192.3463 5617.758       245.4807 5744.048       309.5725 437.3461 9.570650 441.8771 11.95666 -4.530945      15.31532 
1 1 1 1   7  8  f 390.4201 6.132843 4473.202       140.4250 4418.778       196.2613 4530.290       201.0056 387.8919 8.627271 392.7489 8.726552 -4.856964      12.27121 
1 1 1 1   7  9  o 500.2368 6.799704 7345.406       199.4877 7255.125       230.7474 7612.544       396.9245 497.0629 7.915436 508.3420 13.32527 -11.27911      15.49893 
1 1 1 1   7  10 o 180.1617 4.219043 952.1796       44.57866 969.4222       50.60815 892.4757       94.17140 181.7139 4.752858 174.0450 9.259179 7.668854       10.40779 
1 1 1 1   7  11 o 113.4314 4.582054 378.0790       30.41929 353.8048       32.67666 535.7820       83.28848 109.6954 5.093143 134.5969 10.63757 -24.90150      11.79398 
1 1 1 1   7  12 o 521.8522 7.132083 7992.893       218.2802 7753.001       246.8716 8852.327       467.2729 513.8880 8.191286 548.2275 14.54599 -34.33954      16.69380 
1 1 1 1   7  13 o 816.7425 16.40459 19635.72       785.7804 19635.72       785.7804 0.000000       0.000000 816.7425 16.40459 ?        ?        0.000000       16.40459 
1 1 1 1   7  14 o 950.3862 12.04682 26531.07       671.4648 26184.42       775.9083 27564.96       1339.993 943.8752 14.01668 966.4033 23.64252 -22.52802      27.48520 
1 1 1 1   7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   7  16 o 347.9544 8.342326 3552.711       170.2394 3552.711       170.2394 0.000000       0.000000 347.9544 8.342326 ?        ?        0.000000       8.342326 
1 1 1 1   7  17 o 835.5036 10.82731 20493.94       530.5418 20347.19       619.1720 20899.32       1029.070 832.3254 12.68433 842.3965 20.82946 -10.07111      24.38767 
1 1 1 1   7  18 o 159.7601 7.184812 750.3585       67.14620 750.3585       67.14620 0.000000       0.000000 159.7601 7.184812 ?        ?        0.000000       7.184812 
1 1 1 1   7  19 o 123.4780 9.385459 450.1106       67.45748 446.9743       71.84082 473.4847       196.1218 122.9837 10.04781 124.1380 27.64771 -1.154259      29.41690 
1 1 1 1   7  20 o 503.7251 7.397978 7445.528       218.5532 7284.683       246.0671 8046.528       475.6480 498.2056 8.421597 522.8429 15.52907 -24.63733      17.66566 
1 1 1 1   7  21 o 233.6932 6.379753 1603.506       87.35623 1599.017       95.37026 1626.899       217.7110 233.3362 6.976995 234.6142 15.91675 -1.278015      17.37877 
1 1 1 1   7  22 o 270.7488 5.871720 2150.706       93.23574 2195.953       104.3073 1970.867       207.9515 273.5659 6.501331 258.5150 13.76558 15.05087       15.22361 
1 1 1 1   7  23 o 365.8846 6.993224 3929.098       150.0625 3929.098       150.0625 0.000000       0.000000 365.8846 6.993224 ?        ?        0.000000       6.993224 
1 1 1 1   7  24 o 148.0200 9.456478 646.3077       81.66257 646.3077       81.66257 0.000000       0.000000 148.0200 9.456478 ?        ?        0.000000       9.456478 
1 1 1 1   7  25 o 418.0810 6.458627 5130.855       158.3621 5134.747       183.4090 5119.452       313.9256 418.1660 7.478620 416.7836 12.85835 1.382385       14.87505 
1 1 1 1   7  26 o 487.0876 7.070332 6967.340       201.9749 6763.347       227.5184 7725.870       438.7284 479.7967 8.085534 511.4902 14.64047 -31.69345      16.72481 
1 1 1 1   7  27 o 290.3418 7.543665 2478.379       128.3437 2478.379       128.3437 0.000000       0.000000 290.3418 7.543665 ?        ?        0.000000       7.543665 
1 1 1 1   7  28 o 76.75536 12.84286 178.4638       55.77157 167.0762       58.98151 274.6241       171.3949 73.99653 14.10583 94.74931 28.51884 -20.75278      31.81665 
1 1 1 1   7  29 o 272.3310 5.915990 2178.015       94.48765 2210.529       106.7717 2060.602       202.9000 274.3034 6.637042 263.7956 13.15639 10.50775       14.73570 
1 1 1 1   7  30 o 320.6404 5.999106 3019.873       112.8120 2943.250       126.1847 3324.982       251.8003 316.4708 6.798649 335.2018 12.83223 -18.73102      14.52198 
1 1 1 1   7  31 o 121.1550 9.409104 434.8716       66.33224 472.6028       71.81441 215.6629       173.0971 126.2832 9.772500 86.20450 28.98070 40.07870       30.58403 
1 1 1 1   7  32 o 457.4058 8.306751 6156.010       222.8350 6013.310       271.5752 6450.056       389.8398 451.6727 10.25217 466.4515 14.26724 -14.77884      17.56875 
1 1 1 1   7  33 o 88.02323 21.93190 241.4758       112.8034 416.1160       136.4831 -134.9782      200.3839 116.2575 20.78015 57.07035 26.21575 59.18715       33.45266 
1 1 1 1   7  34 o 83.38204 17.53721 214.5403       83.03648 191.5978       90.14391 343.0591       213.3536 78.56278 19.62355 104.8954 31.87159 -26.33266      37.42836 
1 1 1 1   7  35 o 206.1921 7.446054 1252.100       89.89491 1225.769       97.83600 1394.833       227.7854 203.9162 8.197522 215.4313 18.19885 -11.51517      19.95990 
1 1 1 1   7  36 o 269.8160 6.819579 2142.255       107.8270 2178.917       118.2734 1961.789       262.4107 272.0295 7.420381 255.6543 17.60917 16.37527       19.10877 
1 1 1 1   7  37 f 145.3983 9.625576 626.7147       81.61783 596.2480       86.43997 877.1512       247.8279 141.6604 10.47855 167.2138 26.12546 -25.55345      28.14853 
1 1 1 1   7  38 o 270.2173 7.013569 2150.946       111.0543 2119.107       120.3564 2333.358       288.0862 268.0903 7.662730 278.1000 17.75600 -10.00977      19.33890 
1 1 1 1   7  39 o 173.9553 9.042376 896.0395       91.93424 894.3566       97.77736 908.8706       269.9892 173.6773 9.637198 168.4213 28.33888 5.256027       29.93272 
1 1 1 1   7  40 o 137.1788 11.31932 562.6591       90.25663 550.5099       95.63964 661.5629       272.8785 135.4774 12.16649 139.8664 33.67271 -4.389008      35.80328 
1 1 1 1   7  41 o 146.2301 10.30704 638.4006       87.82738 655.3823       93.68532 515.2065       252.3338 148.0260 10.86727 121.7908 34.02294 26.23521       35.71635 
1 1 1 1   7  42 o 250.7467 7.373915 1860.797       108.3208 1904.509       118.2423 1632.625       270.1479 253.4843 7.963618 227.9720 20.42159 25.51231       21.91941 
1 1 1 1   7  43 o 210.8168 7.553894 1318.186       93.24467 1292.579       99.43539 1504.833       268.4577 208.5646 8.144897 217.0602 21.36511 -8.495529      22.86498 
1 1 1 1   7  44 o 65.86122 19.23135 139.9147       78.89658 124.6888       114.5830 153.6413       108.7951 65.02493 23.46467 69.36993 22.96812 -4.344994      32.83482 
1 1 1 1   7  45 o 139.8311 11.21292 592.9794       91.18446 659.5660       135.6666 538.1136       123.1489 145.0051 16.23105 130.7302 16.42373 14.27486       23.09082 
1 1 1 1   7  46 o 205.6784 9.073229 1268.245       109.1769 1435.623       155.1541 1104.084       153.6558 216.9406 12.24442 189.0656 13.95591 27.87508       18.56592 
1 1 1 1   7  47 o 109.7132 16.05206 383.7586       100.2297 249.7858       140.2269 523.6993       143.3161 83.69158 25.91564 125.8536 20.09210 -42.16206      32.79196 
1 1 1 1   7  48 o 97.52290 19.10510 316.7371       105.3611 360.2868       151.4696 275.9130       146.6532 99.64763 25.73838 86.80299 26.43413 12.84464       36.89482 
1 1 1 1   7  49 o 56.15179 22.05899 82.65639       106.2236 25.10961       149.2219 141.7734       151.2441 55.39181 24.21618 67.67450 26.39911 -12.28269      35.82369 
1 1 1 1   7  50 o 66.36359 22.82651 150.4327       107.4639 240.7513       157.8477 72.40390       146.7159 79.97258 27.65799 59.14103 24.88465 20.83155       37.20498 
1 1 1 1   7  51 o 151.7849 13.35839 722.4478       117.7021 742.7156       163.7204 700.7662       169.3335 149.0438 19.17369 143.2877 20.75396 5.756088       28.25521 
1 1 1 1   8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   8  1  o 1183.165 20.01626 41266.76       1388.925 38955.95       1798.724 44679.31       2185.859 1147.199 26.73470 1226.918 30.37780 -79.71887      40.46671 
1 1 1 1   8  2  o 314.4168 5.379341 2900.026       99.19398 2820.262       162.6698 2947.243       125.1557 309.8259 8.961799 316.9308 6.733416 -7.104980      11.20949 
1 1 1 1   8  3  o 264.9633 4.359002 2059.248       67.73660 2019.339       91.69482 2107.188       100.4972 262.3526 5.959487 267.9883 6.394217 -5.635773      8.740795 
1 1 1 1   8  4  o 458.2552 6.953328 6162.421       186.8747 6190.048       228.9528 6107.280       323.4536 459.1985 8.501488 455.7032 12.11336 3.495300       14.79895 
1 1 1 1   8  5  f 286.9826 6.522510 2416.769       109.7794 2498.860       157.3278 2338.873       153.2553 291.5699 9.212080 282.0672 9.276915 9.502625       13.07377 
1 1 1 1   8  6  o 630.2138 11.12246 11672.91       411.0922 11661.64       579.5732 11684.32       583.1879 629.2031 15.70605 629.6013 15.80651 -0.3981934     22.28286 
1 1 1 1   8  7  o 542.8570 8.772596 8655.527       279.2956 8613.021       356.9685 8722.618       448.4774 541.2412 11.24575 544.0873 14.06649 -2.846130      18.00925 
1 1 1 1   8  8  o 210.6515 4.831933 1301.892       59.69471 1290.502       83.53828 1313.776       85.33244 209.5644 6.806030 211.4422 6.890524 -1.877808      9.685111 
1 1 1 1   8  9  o 144.5540 5.859855 614.2246       49.57543 590.1887       59.46712 668.9927       89.76564 141.6046 7.184065 150.5213 10.22939 -8.916672      12.50005 
1 1 1 1   8  10 o 612.3351 8.683240 11012.63       311.8326 11129.78       444.3762 10898.97       437.6954 615.0876 12.31865 608.6856 12.26107 6.402039       17.38054 
1 1 1 1   8  11 o 799.8019 10.22144 18794.11       479.4519 18777.72       563.2718 18837.21       913.4919 799.1593 12.01805 798.6926 19.50179 0.4667358      22.90750 
1 1 1 1   8  12 o 594.2922 11.82217 10378.50       412.0481 10378.50       412.0481 0.000000       0.000000 594.2922 11.82217 ?        ?        0.000000       11.82217 
1 1 1 1   8  13 o 95.70901 6.586213 270.0266       36.74372 270.0266       36.74372 0.000000       0.000000 95.70901 6.586213 ?        ?        0.000000       6.586213 
1 1 1 1   8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   8  15 o 1235.356 15.54763 44857.42       1126.437 44032.95       1291.495 47478.68       2302.813 1223.458 17.99921 1266.483 31.00335 -43.02527      35.84940 
1 1 1 1   8  16 o 1080.008 13.70499 34267.08       868.0732 33237.29       977.0353 38126.84       1891.551 1063.355 15.66684 1135.407 28.42874 -72.05176      32.45987 
1 1 1 1   8  17 o 277.0497 5.418143 2251.473       88.03567 2171.584       96.63585 2641.321       213.4731 272.0798 6.056077 299.6499 12.17260 -27.57010      13.59589 
1 1 1 1   8  18 o 787.8132 10.28891 18220.68       475.3827 18273.38       560.3818 18085.41       897.8209 788.7771 12.11377 783.7152 19.53354 5.061890       22.98483 
1 1 1 1   8  19 o 207.8533 8.256237 1269.872       100.4442 1173.984       110.7472 1714.472       238.4711 199.7598 9.480152 240.8039 16.99497 -41.04411      19.46027 
1 1 1 1   8  20 f 534.4380 7.578383 8381.658       237.5332 8446.906       278.1862 8206.066       456.3592 536.4438 8.842211 528.0727 14.74987 8.371155       17.19719 
1 1 1 1   8  21 o 590.9107 8.067321 10248.41       279.5771 10388.17       331.3979 9903.396       520.7003 594.8223 9.499746 579.9962 15.32120 14.82605       18.02732 
1 1 1 1   8  22 o 337.1498 5.900042 3335.132       116.6618 3283.170       130.5255 3541.496       260.1183 334.4873 6.653730 346.8240 12.81026 -12.33673      14.43520 
1 1 1 1   8  23 o 140.9406 7.551629 584.8024       62.19260 569.8016       66.74536 683.6435       171.3296 139.0643 8.220474 150.8524 19.84649 -11.78813      21.48160 
1 1 1 1   8  24 o 289.8840 6.485181 2466.484       110.2547 2466.484       110.2547 0.000000       0.000000 289.8840 6.485181 ?        ?        0.000000       6.485181 
1 1 1 1   8  25 o 396.7687 6.189523 4620.964       144.0274 4451.052       159.7601 5358.429       332.8333 389.3514 6.996422 426.2729 13.32977 -36.92142      15.05432 
1 1 1 1   8  26 o 141.9001 7.531025 593.1401       62.44955 551.1938       67.25353 855.6841       168.2553 136.6940 8.430105 169.2089 17.19339 -32.51483      19.14887 
1 1 1 1   8  27 o 291.6662 5.853724 2497.576       100.1311 2471.642       111.0241 2610.619       231.7991 290.1054 6.525454 297.1483 13.33509 -7.042908      14.84608 
1 1 1 1   8  28 o 188.1758 6.374473 1041.215       70.24754 1009.834       76.27825 1216.464       180.2564 185.2592 7.033312 202.1772 15.31619 -16.91806      16.85387 
1 1 1 1   8  29 o 105.3191 9.927545 329.5370       60.59625 323.7505       65.35620 364.9778       161.7440 104.2495 10.84810 107.8900 25.89246 -3.640495      28.07314 
1 1 1 1   8  30 o 229.7470 6.243586 1551.826       84.04884 1572.078       94.05311 1471.531       187.2742 231.1719 6.945129 222.4614 14.43189 8.710541       16.01606 
1 1 1 1   8  31 o 294.9320 6.169552 2555.524       106.7151 2446.661       117.5204 3067.194       254.7820 288.5093 6.945492 321.6862 13.53497 -33.17688      15.21299 
1 1 1 1   8  32 o 223.0490 6.882061 1463.668       89.91856 1472.574       99.19796 1422.636       212.9252 223.6502 7.573732 218.1381 16.77219 5.512070       18.40293 
1 1 1 1   8  33 o 263.6178 6.989730 2044.116       107.9698 2031.619       118.8579 2103.105       258.2299 262.7211 7.722431 265.5133 16.66734 -2.792206      18.36943 
1 1 1 1   8  34 o 41.87669 17.76891 2.959844       75.84137 40.12154       81.00652 -260.8831      215.8465 48.63801 19.21540 53.10809 25.27416 -4.470078      31.74924 
1 1 1 1   8  35 o 236.1995 7.111359 1642.151       98.39823 1656.415       107.9284 1571.918       239.4940 237.1379 7.770898 228.7684 17.99518 8.369446       19.60137 
1 1 1 1   8  36 o 358.1365 6.826737 3772.306       143.3878 3615.623       157.0510 4557.072       351.4794 350.4888 7.640397 390.9963 15.35756 -40.50748      17.15314 
1 1 1 1   8  37 o 196.5444 7.933283 1139.841       91.25799 1121.409       97.60468 1267.899       257.2734 194.8465 8.562277 203.3258 21.92108 -8.479340      23.53394 
1 1 1 1   8  38 o 117.7381 12.09190 415.4697       82.30997 426.9475       86.71561 311.0450       261.5586 119.2640 12.58724 101.3223 35.56721 17.94165       37.72884 
1 1 1 1   8  39 o 225.1102 7.886718 1496.115       103.9610 1499.133       111.1968 1475.165       292.9829 225.2281 8.433089 217.9702 23.27888 7.257996       24.75931 
1 1 1 1   8  40 o 188.2613 8.807166 1050.079       96.97110 1004.862       103.0530 1399.589       286.5108 183.9797 9.583855 211.2937 23.51900 -27.31398      25.39672 
1 1 1 1   8  41 o 104.4186 13.67017 332.7159       81.70636 322.9008       86.03444 422.9715       260.8923 102.5259 14.73073 110.3095 35.50655 -7.783607      38.44098 
1 1 1 1   8  42 o 193.1876 8.250317 1108.335       93.26082 1098.063       99.03916 1188.744       277.0862 192.1185 8.813442 190.5302 25.43162 1.588394       26.91550 
1 1 1 1   8  43 o 90.29762 15.50094 255.6909       79.13343 238.2646       82.83382 437.7664       267.7507 86.59593 16.91715 108.4540 36.03597 -21.85807      39.80931 
1 1 1 1   8  44 o 55.13723 19.36784 88.39328       77.56780 73.57907       81.04569 249.9726       267.6601 52.83444 19.62486 88.67634 34.96109 -35.84190      40.09255 
1 1 1 1   8  45 o 43.78000 18.63497 12.43613       83.86624 -28.03694      118.3157 53.30721       118.8960 46.69866 20.92476 55.25187 22.75277 -8.553211      30.91171 
1 1 1 1   8  46 f 98.04028 16.45711 307.5376       91.27599 251.9198       129.4290 362.5660       128.7413 84.93988 24.58260 103.6170 21.87325 -18.67711      32.90506 
1 1 1 1   8  47 o 96.27379 18.20811 304.1230       99.04213 222.2580       140.9160 384.0437       139.2326 79.24010 26.13580 105.3006 23.17508 -26.06046      34.93085 
1 1 1 1   8  48 o 48.78962 20.48805 33.50124       99.14085 -158.6874      145.1431 201.5979       135.7413 42.23577 20.26861 75.53104 25.66286 -33.29527      32.70167 
1 1 1 1   8  49 o 33.86375 16.36628 -133.9025      98.66893 -100.6185      144.0146 -163.3481      135.4562 45.17186 21.23974 40.03135 19.30471 5.140507       28.70189 
1 1 1 1   8  50 o 119.0748 16.43008 460.0851       111.6841 341.4962       156.1006 584.4493       159.8566 94.82855 26.85563 130.1075 21.71451 -35.27892      34.53614 
1 1 1 1   8  51 o 44.54935 19.57919 1.872867       98.70558 114.7618       147.7052 -89.21964      132.6818 63.39901 25.64054 43.47904 20.42592 19.91997       32.78194 
1 1 1 1   9  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   9  1  o 562.9486 10.09533 9308.031       333.3033 9011.219       450.7756 9666.018       495.0540 553.3282 13.90180 572.9619 14.74475 -19.63361      20.26494 
1 1 1 1   9  2  o 451.5467 6.904199 5983.613       182.8380 5706.890       294.5937 6156.992       233.1844 440.5387 11.41181 457.9385 8.682442 -17.39978      14.33926 
1 1 1 1   9  3  o 892.9774 10.78778 23429.64       564.9672 23833.78       816.7175 23058.80       782.3580 899.6996 15.47832 885.0449 15.07265 14.65472       21.60471 
1 1 1 1   9  4  o 560.3058 8.191451 9217.349       269.1761 9179.774       327.0780 9296.206       473.8337 558.9963 9.976812 561.7939 14.39316 -2.797546      17.51285 
1 1 1 1   9  5  o 383.7989 6.172745 4322.783       138.9417 4340.181       169.5997 4287.277       242.2861 384.4985 7.521077 381.7604 10.83244 2.738068       13.18743 
1 1 1 1   9  6  o 462.4201 8.668928 6280.567       235.1000 6299.738       332.0525 6261.297       332.9125 462.5911 12.25015 461.1662 12.32002 1.424866       17.37380 
1 1 1 1   9  7  o 458.9102 8.621649 6185.977       232.0430 5993.179       314.4674 6416.432       343.8088 451.2038 11.89409 466.7704 12.57068 -15.56659      17.30582 
1 1 1 1   9  8  f 50.02000 13.08958 76.34405       38.83646 68.66790       45.38232 97.34541       75.06521 48.22055 14.70896 58.46474 19.06391 -10.24419      24.07875 
1 1 1 1   9  9  o 387.1044 6.116693 4397.618       138.8658 4392.776       196.4697 4402.451       196.3022 386.7388 8.662185 387.1656 8.645254 -0.4268188     12.23821 
1 1 1 1   9  10 f 239.7882 5.081532 1686.880       71.46164 1677.287       101.1347 1696.445       100.9895 238.9382 7.225424 240.3033 7.173854 -1.365143      10.18189 
1 1 1 1   9  11 o 447.0948 8.237708 5867.779       216.0014 5787.265       248.8328 6113.929       435.0812 443.9366 9.557322 455.3929 16.31684 -11.45630      18.90983 
1 1 1 1   9  12 o 335.1341 7.555528 3295.905       148.5026 3295.905       148.5026 0.000000       0.000000 335.1341 7.555528 ?        ?        0.000000       7.555528 
1 1 1 1   9  13 o 542.3592 8.739295 8632.902       277.9802 8632.902       277.9802 0.000000       0.000000 542.3592 8.739295 ?        ?        0.000000       8.739295 
1 1 1 1   9  14 o 758.1091 14.61600 16889.03       649.8464 16889.03       649.8464 0.000000       0.000000 758.1091 14.61600 ?        ?        0.000000       14.61600 
1 1 1 1   9  15 o 524.7974 10.92526 8085.553       336.2590 8085.553       336.2590 0.000000       0.000000 524.7974 10.92526 ?        ?        0.000000       10.92526 
1 1 1 1   9  16 o 375.7455 5.931549 4141.543       130.7111 4007.344       145.6702 4696.117       296.1257 369.5891 6.720490 399.6620 12.64970 -30.07288      14.32410 
1 1 1 1   9  17 o 1033.643 13.13675 31387.43       796.3594 31535.88       943.0726 31018.51       1486.674 1035.710 15.52589 1025.174 24.72679 10.53625       29.19705 
1 1 1 1   9  18 o 382.9609 7.866617 4303.587       176.6823 4075.065       207.9401 4896.950       335.0691 372.4730 9.526856 407.9622 14.02524 -35.48920      16.95489 
1 1 1 1   9  19 o 403.1828 6.584312 4769.276       155.6908 4660.314       174.0194 5206.334       348.5217 398.5213 7.445528 420.6165 14.14854 -22.09512      15.98803 
1 1 1 1   9  20 o 672.1382 8.948778 13261.67       352.7548 13470.04       420.4705 12766.46       648.2023 677.2548 10.58603 658.3777 16.80119 18.87708       19.85809 
1 1 1 1   9  21 o 843.1829 10.85778 20884.74       536.9247 21190.01       642.6240 20178.85       977.1840 849.0146 12.90599 827.0351 20.14660 21.97949       23.92593 
1 1 1 1   9  22 o 410.6503 6.420334 4948.585       154.6252 4885.908       175.9191 5161.490       324.2289 407.9953 7.352028 418.6912 13.22062 -10.69592      15.12737 
1 1 1 1   9  23 f 131.6863 8.470812 511.3604       65.07388 511.3604       65.07388 0.000000       0.000000 131.6863 8.470812 ?        ?        0.000000       8.470812 
1 1 1 1   9  24 o 434.1649 7.605486 5535.167       193.6566 5535.167       193.6566 0.000000       0.000000 434.1649 7.605486 ?        ?        0.000000       7.605486 
1 1 1 1   9  25 o 288.5998 6.275386 2445.077       106.2153 2445.077       106.2153 0.000000       0.000000 288.5998 6.275386 ?        ?        0.000000       6.275386 
1 1 1 1   9  26 o 42.28825 15.96818 38.22073       54.11707 43.75584       57.76354 -1.513802      154.7657 44.28667 16.54483 58.95554 25.21084 -14.66887      30.15490 
1 1 1 1   9  27 o 225.0103 6.795509 1488.533       89.57297 1488.533       89.57297 0.000000       0.000000 225.0103 6.795509 ?        ?        0.000000       6.795509 
1 1 1 1   9  28 o 96.09776 10.25757 275.0171       56.91788 249.3616       60.49247 473.0532       168.0674 91.25002 11.56286 123.5630 24.05798 -32.31297      26.69243 
1 1 1 1   9  29 o 310.3567 8.343932 2835.539       151.7359 2799.608       199.2235 2885.176       234.1586 307.9311 11.04946 312.2433 12.81416 -4.312225      16.92020 
1 1 1 1   9  30 o 64.30002 16.05498 127.5330       60.35574 130.6258       64.29919 104.6137       175.0374 65.08169 16.74867 72.74101 28.39282 -7.659325      32.96468 
1 1 1 1   9  31 o 203.8053 6.763628 1222.113       80.73163 1280.024       89.39739 966.0989       187.9645 208.5242 7.321367 179.1840 18.13598 29.34023       19.55802 
1 1 1 1   9  32 o 432.7259 6.862505 5503.610       174.1590 5627.278       203.4108 5163.983       337.0898 437.3918 7.929626 417.4837 13.78642 19.90814       15.90423 
1 1 1 1   9  33 o 157.6685 10.11882 735.5959       93.07359 735.5959       93.07359 0.000000       0.000000 157.6685 10.11882 ?        ?        0.000000       10.11882 
1 1 1 1   9  34 o 170.7236 10.59879 862.9506       105.5974 876.5268       118.2946 809.6980       234.2851 171.8699 11.80759 161.6685 25.55836 10.20140       28.15402 
1 1 1 1   9  35 o 267.1375 7.110899 2100.292       111.3073 2071.208       121.6684 2249.563       275.6396 265.1768 7.831916 274.0856 17.23491 -8.908875      18.93096 
1 1 1 1   9  36 o 187.5650 8.298084 1038.387       91.05503 944.3271       96.97680 1738.762       264.6247 178.7008 9.285023 239.9403 18.95911 -61.23955      21.11065 
1 1 1 1   9  37 o 53.69249 19.21646 75.05168       76.66991 92.78320       80.84393 -83.48233      241.7328 57.68174 19.79998 66.28657 29.78890 -8.604832      35.76895 
1 1 1 1   9  38 o 42.77561 18.03304 8.371952       77.28129 13.54875       80.97387 -44.53622      258.8663 44.41100 18.57362 70.92687 31.41600 -26.51587      36.49582 
1 1 1 1   9  39 o 240.2495 7.744159 1703.861       108.9732 1687.113       117.0378 1812.980       298.7368 238.9325 8.365094 242.7610 21.19493 -3.828415      22.78596 
1 1 1 1   9  40 f 161.4352 10.08248 775.7302       94.98219 855.4445       101.0750 173.6950       277.7708 169.5244 10.21362 87.78180 35.28173 81.74263       36.73035 
1 1 1 1   9  41 o 253.8454 7.460368 1905.802       110.9452 1957.472       120.6146 1621.757       282.7989 257.0998 8.008985 227.1667 21.48187 29.93314       22.92629 
1 1 1 1   9  42 o 36.02157 16.48697 -46.96108      78.28968 -25.10026      82.23497 -258.5313      255.8295 39.36410 17.55502 57.04227 27.24876 -17.67817      32.41410 
1 1 1 1   9  43 o 88.29317 17.05057 248.0637       85.09415 233.5267       89.30000 391.5764       280.5813 85.11258 18.42500 103.1213 36.77763 -18.00874      41.13484 
1 1 1 1   9  44 o 186.6086 8.945400 1040.471       97.61473 1074.779       103.2384 751.0493       299.8530 189.5186 9.316915 139.3809 36.32103 50.13766       37.49696 
1 1 1 1   9  45 o 66.14595 20.00348 143.3710       84.18049 139.7923       87.50689 187.7757       308.2458 65.47358 20.50359 83.91624 35.72269 -18.44267      41.18869 
1 1 1 1   9  46 o 239.6247 8.794048 1719.651       123.3769 1829.832       169.3111 1594.903       180.1560 245.1590 11.81045 227.5117 13.56345 17.64735       17.98483 
1 1 1 1   9  47 o 72.99184 21.44608 181.8542       97.85229 205.6574       142.5020 160.6166       134.6036 76.63208 26.28821 69.94788 25.40555 6.684204       36.55834 
1 1 1 1   9  48 o 69.42039 22.20046 165.2457       102.1117 182.2961       146.8320 149.2767       142.0997 72.81332 26.52142 68.24934 25.85178 4.563972       37.03647 
1 1 1 1   9  49 o 35.90840 17.12039 -105.9147      99.98193 42.07941       149.8266 -224.7270      134.2448 56.84460 24.56227 36.83924 18.08316 20.00536       30.50092 
1 1 1 1   9  50 o 118.6499 16.06494 455.2851       108.9192 434.2338       150.4329 478.4806       157.9088 109.8320 24.02423 115.3800 24.11385 -5.547981      34.03882 
1 1 1 1   9  51 o 124.1254 16.22840 500.8157       115.3107 484.1847       165.8245 516.3872       160.4559 114.3672 25.38536 119.9011 23.65877 -5.533943      34.70092 
1 1 1 1   10 0  f 1158.171 19.65167 39633.03       1334.819 37979.03       1771.044 41808.18       2030.980 1130.130 26.72085 1184.109 29.24579 -53.97937      39.61464 
1 1 1 1   10 1  o 406.3873 7.829556 4848.770       186.6069 4454.665       236.5156 5498.636       303.7151 389.2054 10.37093 432.2448 11.99239 -43.03937      15.85477 
1 1 1 1   10 2  o 496.4282 9.073472 7238.887       264.1682 7680.777       398.8629 6893.591       352.5835 510.6819 13.32889 483.9250 12.43350 26.75684       18.22776 
1 1 1 1   10 3  f 310.9603 4.788187 2836.890       87.32259 2892.771       122.4894 2779.139       124.5212 313.9368 6.652821 307.6981 6.900301 6.238678       9.585102 
1 1 1 1   10 4  o 272.1491 5.228868 2173.171       83.45747 2259.191       102.2594 2001.586       144.4247 277.4463 6.284545 260.8372 9.456726 16.60904       11.35452 
1 1 1 1   10 5  o 609.6999 8.832348 10919.89       315.8223 10773.24       379.1496 11252.25       570.7873 605.3459 10.67964 617.5215 15.77348 -12.17560      19.04881 
1 1 1 1   10 6  o 247.2509 5.696793 1793.971       82.60738 1715.360       126.2326 1852.850       109.2483 241.4799 8.928704 251.1018 7.426631 -9.621918      11.61364 
1 1 1 1   10 7  o 391.1602 6.899351 4491.412       158.2754 4500.053       250.4021 4485.662       204.2529 391.0776 10.92825 390.7737 8.912356 0.3039246      14.10165 
1 1 1 1   10 8  o 355.1582 6.472760 3701.958       134.8223 3728.902       216.5742 3684.909       172.2744 356.0613 10.38234 354.2434 8.292177 1.817963       13.28733 
1 1 1 1   10 9  o 292.5405 5.363271 2510.828       92.01663 2552.607       132.2864 2471.665       128.0779 294.7862 7.658181 290.0796 7.534845 4.706543       10.74345 
1 1 1 1   10 10 o 108.9875 6.616826 349.8301       42.09456 432.5487       61.36473 276.3111       57.85186 121.0720 8.700215 96.43627 10.39274 24.63570       13.55370 
1 1 1 1   10 11 o 342.1818 5.856962 3434.988       117.5384 3430.194       166.3084 3439.773       166.1406 341.8673 8.294802 342.3451 8.274869 -0.4777527     11.71653 
1 1 1 1   10 12 o 445.7923 11.49055 5839.926       300.1660 5677.917       419.6100 6009.710       429.5628 439.0839 16.32317 451.7577 16.23969 -12.67377      23.02549 
1 1 1 1   10 13 f 224.1622 6.337698 1475.256       83.23543 1475.256       83.23543 0.000000       0.000000 224.1622 6.337698 ?        ?        0.000000       6.337698 
1 1 1 1   10 14 o 1095.047 13.91237 35229.54       893.4787 34653.93       1028.650 36998.13       1803.094 1085.707 16.15491 1119.137 27.47164 -33.43030      31.86961 
1 1 1 1   10 15 o 483.1935 7.914355 6850.685       224.2782 6850.685       224.2782 0.000000       0.000000 483.1935 7.914355 ?        ?        0.000000       7.914355 
1 1 1 1   10 16 o 794.2776 10.33412 18520.35       481.3890 18005.11       544.0031 20380.05       1033.515 783.0142 11.84626 831.4489 21.21218 -48.43469      24.29589 
1 1 1 1   10 17 o 338.0267 6.781602 3352.293       134.4417 3352.293       134.4417 0.000000       0.000000 338.0267 6.781602 ?        ?        0.000000       6.781602 
1 1 1 1   10 18 f 395.7174 6.596589 4594.234       153.0929 4458.761       169.8865 5179.627       353.1469 389.8126 7.431088 419.5265 14.37432 -29.71387      16.18154 
1 1 1 1   10 19 o 523.3193 7.476540 8036.451       229.4658 7968.451       264.2732 8244.792       462.5797 521.0378 8.648352 529.2882 14.91685 -8.250427      17.24258 
1 1 1 1   10 20 o 1274.267 16.05768 47786.94       1200.035 48336.55       1435.916 46513.98       2185.284 1280.611 19.11882 1251.699 29.76855 28.91272       35.37931 
1 1 1 1   10 21 o 479.4432 6.985168 6745.924       196.4104 6904.529       231.7444 6341.486       370.0643 484.9769 8.147750 464.1341 13.60982 20.84274       15.86232 
1 1 1 1   10 22 o 694.1914 13.74822 14182.38       559.7272 14182.38       559.7272 0.000000       0.000000 694.1914 13.74822 ?        ?        0.000000       13.74822 
1 1 1 1   10 23 o 170.7843 7.223204 857.8126       72.18496 857.8126       72.18496 0.000000       0.000000 170.7843 7.223204 ?        ?        0.000000       7.223204 
1 1 1 1   10 24 o 246.4209 5.746002 1782.158       83.04124 1786.705       92.04227 1762.259       192.5363 246.6291 6.368776 244.2044 13.49586 2.424728       14.92313 
1 1 1 1   10 25 o 440.0454 6.549460 5685.598       169.0260 5676.956       194.7670 5711.963       340.1958 439.6172 7.554232 440.0019 13.19821 -0.3847656     15.20721 
1 1 1 1   10 26 o 337.0675 5.909550 3335.641       116.8213 3389.524       133.6454 3161.133       240.5106 339.7199 6.707838 327.2015 12.55669 12.51846       14.23607 
1 1 1 1   10 27 o 201.0305 6.311818 1188.061       74.32389 1174.572       81.07940 1259.036       185.9859 199.8332 6.928671 205.6827 15.53292 -5.849548      17.00818 
1 1 1 1   10 28 o 180.8822 6.711433 962.6028       71.07352 928.8753       76.26215 1185.466       196.0362 177.6227 7.336617 199.1442 16.94567 -21.52147      18.46569 
1 1 1 1   10 29 o 166.9965 7.124335 821.2100       69.61504 789.9294       74.39816 1041.283       197.3369 163.7133 7.770863 186.1225 18.31537 -22.40918      19.89571 
1 1 1 1   10 30 o 262.0034 6.124734 2016.680       94.11195 1968.887       103.8454 2236.372       222.6445 258.7304 6.849700 274.5209 13.87383 -15.79047      15.47261 
1 1 1 1   10 31 o 91.20432 12.40140 250.1760       64.61726 226.2220       68.61536 437.9398       192.1046 86.33957 14.03203 117.6646 28.20522 -31.32502      31.50289 
1 1 1 1   10 32 o 185.0320 8.008537 1008.967       86.70037 1048.538       93.80133 776.8959       227.1595 188.5733 8.503486 158.5366 25.27993 30.03679       26.67178 
1 1 1 1   10 33 o 232.2119 8.857198 1589.685       120.4022 1472.963       133.6946 2090.661       276.9790 223.3082 10.23565 264.3069 17.97546 -40.99870      20.68539 
1 1 1 1   10 34 o 179.8734 8.663891 954.7844       91.12794 931.3993       97.92793 1105.842       248.8909 177.5465 9.438595 190.3171 22.74878 -12.77068      24.62913 
1 1 1 1   10 35 o 354.8875 8.206772 3708.292       170.8101 3697.617       199.5358 3737.570       330.4422 353.9785 9.620468 353.9443 15.95985 0.3417969E-01  18.63518 
1 1 1 1   10 36 o 276.5845 7.174948 2252.866       116.2867 2227.186       126.8491 2388.089       291.0805 274.8820 7.876595 281.7645 17.70423 -6.882507      19.37732 
1 1 1 1   10 37 o 49.30422 18.97919 50.19133       77.39293 66.01490       81.44078 -97.22319      248.5763 52.79670 19.66076 66.38918 29.98786 -13.59247      35.85830 
1 1 1 1   10 38 o 366.8304 6.997312 3962.460       150.5383 3875.189       164.6885 4405.844       371.2085 362.5983 7.744384 382.8170 16.57320 -20.21863      18.29334 
1 1 1 1   10 39 o 244.7428 7.936007 1769.199       113.7596 1745.407       122.2932 1922.050       309.9688 242.9382 8.596888 249.6659 21.37484 -6.727753      23.03888 
1 1 1 1   10 40 o 126.6035 12.23321 482.5536       89.70142 495.8662       94.72408 366.9129       279.1790 128.2072 12.76741 105.3436 36.76245 22.86353       38.91639 
1 1 1 1   10 41 o 232.3044 7.824337 1598.488       106.4474 1599.391       114.5234 1592.749       288.5789 232.1853 8.424217 224.1792 22.24218 8.006012       23.78407 
1 1 1 1   10 42 o 58.60084 20.01980 102.0809       82.62534 110.5185       86.58765 16.16711       276.2983 60.56248 20.49716 73.38049 32.48197 -12.81801      38.40849 
1 1 1 1   10 43 o 112.1611 13.96551 387.9475       89.88053 344.2115       94.69701 785.3793       285.4618 104.8019 15.90591 146.0587 33.96881 -41.25674      37.50837 
1 1 1 1   10 44 o 111.8294 14.04362 387.4521       90.07951 376.5033       95.03342 484.3320       282.6896 109.7388 15.17151 110.7280 37.03325 -0.9891815     40.02044 
1 1 1 1   10 45 o 67.06439 21.33097 147.6297       94.37158 193.9859       98.74802 -340.8463      320.5501 75.93444 21.30950 59.94646 29.09676 15.98798       36.06544 
1 1 1 1   10 46 o 29.04257 14.37880 -194.9843      91.29379 -221.3092      95.24860 102.4180       320.1459 28.83411 14.34541 77.99488 34.71944 -49.16077      37.56635 
1 1 1 1   10 47 f 133.6242 13.78499 557.2644       106.4807 575.2642       152.1313 539.9776       149.0879 131.3432 20.41227 126.9473 20.74030 4.395882       29.10019 
1 1 1 1   10 48 o 62.94843 22.36723 128.1183       103.6899 119.7667       154.8036 134.9144       139.6447 65.50202 26.33472 66.17341 25.48852 -0.6713867     36.64945 
1 1 1 1   10 49 o 58.25227 22.27061 98.84766       106.0688 42.13763       153.7153 150.3931       146.5489 57.21573 24.80060 68.09554 26.14143 -10.87981      36.03393 
1 1 1 1   10 50 o 126.9489 16.39215 522.5016       119.1978 454.2277       171.6402 586.1017       165.6611 109.7028 26.88985 129.3256 22.66753 -19.62285      35.16932 
1 1 1 1   11 0  o 240.8740 6.074592 1703.876       85.74540 1552.802       110.1929 1935.753       136.5172 229.7970 8.189430 256.5303 9.088351 -26.73328      12.23376 
1 1 1 1   11 1  o 991.9427 16.92341 29040.96       984.5210 30904.51       1512.460 27670.74       1296.909 1019.211 25.30283 965.6678 22.89977 53.54346       34.12672 
1 1 1 1   11 2  o 248.0180 6.100393 1805.337       88.73428 1816.205       121.3739 1792.859       130.0537 248.5320 8.338885 246.8724 8.997601 1.659561       12.26759 
1 1 1 1   11 3  o 294.0599 5.458456 2537.389       94.13607 2657.966       160.1718 2473.763       116.3517 300.6478 9.094464 290.2937 6.834151 10.35410       11.37607 
1 1 1 1   11 4  o 372.8189 6.115975 4079.246       133.7255 4178.811       165.3487 3890.992       227.3643 377.2634 7.473184 363.6483 10.67236 13.61514       13.02873 
1 1 1 1   11 5  o 239.4577 5.143915 1682.402       72.23923 1671.455       84.45401 1712.250       139.4523 238.5750 6.040799 241.1839 9.879773 -2.608963      11.58021 
1 1 1 1   11 6  o 97.18968 6.895935 278.6506       39.05117 248.0512       47.66847 341.0947       68.09588 91.45676 9.003828 107.1606 10.99073 -15.70386      14.20792 
1 1 1 1   11 7  o 416.9957 7.212471 5104.010       176.3868 5223.804       285.9750 5030.454       224.0894 421.3755 11.58298 413.8499 9.232684 7.525635       14.81242 
1 1 1 1   11 8  o 828.0623 12.57342 20160.02       610.6144 20823.13       1018.324 19787.75       763.0014 839.6891 20.67840 819.7416 15.87076 19.94757       26.06678 
1 1 1 1   11 9  o 287.6183 5.925201 2427.023       99.94707 2309.279       152.7512 2515.171       132.1660 280.2968 9.305042 292.6422 7.707447 -12.34540      12.08257 
1 1 1 1   11 10 o 810.1258 11.24564 19275.63       534.3024 18871.41       736.4424 19724.86       776.3734 800.9930 15.67688 818.8257 16.16697 -17.83276      22.51967 
1 1 1 1   11 11 o 576.1541 14.10940 9755.373       476.7576 9996.712       690.5811 9535.602       659.0012 582.2185 20.25537 568.6898 19.78894 13.52875       28.31752 
1 1 1 1   11 12 o 411.2526 10.93633 4968.971       263.5392 4993.435       380.0320 4946.308       365.7779 411.8427 15.76307 409.9447 15.24047 1.898010       21.92592 
1 1 1 1   11 13 o 417.9195 11.03348 5131.267       270.1940 4957.476       378.7193 5311.428       385.5976 410.3690 15.76525 424.8134 15.50296 -14.44440      22.11074 
1 1 1 1   11 14 f 1086.923 16.66488 34738.98       1062.311 32862.33       1259.800 39357.06       1976.242 1056.446 20.33311 1153.255 29.24252 -96.80908      35.61686 
1 1 1 1   11 15 o 445.4948 10.25153 5826.108       267.8440 5826.108       267.8440 0.000000       0.000000 445.4948 10.25153 ?        ?        0.000000       10.25153 
1 1 1 1   11 16 f 652.5471 8.834168 12497.20       338.0867 12355.42       390.2950 12923.35       676.6622 648.7393 10.25823 662.5413 17.42953 -13.80200      20.22424 
1 1 1 1   11 17 o 274.9498 6.145922 2217.770       99.10395 2173.500       107.7530 2460.794       252.4647 272.1795 6.750306 288.9305 14.94983 -16.75092      16.40317 
1 1 1 1   11 18 o 458.1677 6.946026 6159.282       186.6429 5989.415       208.5925 6841.386       417.9928 451.7671 7.872879 482.1346 14.80010 -30.36752      16.76381 
1 1 1 1   11 19 o 414.7742 6.512837 5047.701       158.4282 5108.004       183.7278 4872.851       312.8518 417.2050 7.508873 406.9594 13.12518 10.24561       15.12130 
1 1 1 1   11 20 o 371.6983 6.128440 4053.710       133.5952 4091.133       151.8097 3925.229       281.2884 373.3799 6.932630 365.1450 13.15668 8.234924       14.87144 
1 1 1 1   11 21 o 683.2059 9.174525 13708.29       367.6087 14001.97       442.5904 13055.00       660.1069 690.2656 10.93289 665.3025 16.93159 24.96313       20.15457 
1 1 1 1   11 22 o 728.4577 9.524248 15590.13       406.8980 15989.45       491.8763 14724.49       724.2061 737.4317 11.37322 706.3678 17.48158 31.06390       20.85560 
1 1 1 1   11 23 o 234.9334 5.729305 1619.769       78.94002 1530.097       85.38088 2147.744       207.1759 228.2270 6.385137 269.7582 13.13474 -41.53122      14.60450 
1 1 1 1   11 24 o 335.4077 6.652419 3302.978       130.8589 3302.978       130.8589 0.000000       0.000000 335.4077 6.652419 ?        ?        0.000000       6.652419 
1 1 1 1   11 25 o 274.9720 5.743931 2219.535       92.62927 2117.574       100.6811 2781.595       236.3863 268.5477 6.392575 306.8511 13.16605 -38.30338      14.63592 
1 1 1 1   11 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11 27 o 401.7962 6.353716 4741.800       149.7215 4640.835       167.4742 5143.726       334.1455 397.4048 7.185621 417.0209 13.68093 -19.61603      15.45319 
1 1 1 1   11 28 o 510.2509 7.370631 7653.415       220.5662 7462.010       249.0990 8348.276       474.6185 503.6390 8.433387 530.5596 15.26905 -26.92059      17.44322 
1 1 1 1   11 29 o 360.2097 6.264991 3811.976       132.3508 3869.447       151.2710 3624.378       273.3059 362.8166 7.109155 349.8230 13.34589 12.99356       15.12127 
1 1 1 1   11 30 o 441.6140 6.789355 5731.899       175.8417 5724.641       200.9410 5755.632       363.3409 441.1790 7.766104 440.6531 14.07747 0.5258179      16.07754 
1 1 1 1   11 31 f 160.3594 8.333517 758.6687       78.10532 777.4482       84.35889 645.9074       206.7135 162.2690 8.898363 144.2157 25.36592 18.05331       26.88142 
1 1 1 1   11 32 o 421.0451 7.017728 5211.010       173.2909 5226.848       196.5643 5155.760       367.1423 421.5410 7.950863 416.7492 15.04605 4.791809       17.01764 
1 1 1 1   11 33 o 174.3559 9.053233 897.5540       92.25732 884.1799       99.28168 982.1599       249.7113 172.9430 9.828955 178.8067 24.45236 -5.863739      26.35387 
1 1 1 1   11 34 o 237.1733 7.234918 1655.933       100.5175 1662.715       108.5874 1615.323       265.7093 237.5837 7.803721 231.3600 19.77182 6.223740       21.25613 
1 1 1 1   11 35 o 255.1785 7.448607 1917.810       111.3537 1870.378       120.1459 2206.764       296.5451 251.8930 8.143543 270.6914 18.79627 -18.79845      20.48456 
1 1 1 1   11 36 o 184.9332 8.847140 1010.903       95.67686 952.4958       101.5106 1475.693       286.3563 179.3555 9.686353 219.2369 22.59435 -39.88138      24.58313 
1 1 1 1   11 37 o 47.33023 19.03926 33.47345       80.96137 -2.084101      85.32232 354.8817       256.5224 43.44944 18.65224 105.8927 35.27470 -62.44327      39.90252 
1 1 1 1   11 38 o 50.99941 21.29552 21.39842       106.1964 65.86709       114.7082 -245.3171      280.9257 58.29219 22.91604 63.15445 29.68563 -4.862259      37.50175 
1 1 1 1   11 39 o 252.0171 7.823501 1876.063       115.4929 1870.531       124.2553 1911.189       313.0989 251.4964 8.436217 248.4710 21.70362 3.025345       23.28555 
1 1 1 1   11 40 o 140.4611 11.47219 591.9677       93.68210 654.1464       99.31274 89.79795       282.2341 147.6730 11.55914 80.86952 34.29444 66.80347       36.19009 
1 1 1 1   11 41 o 56.79032 20.22309 90.18297       84.80602 97.05466       89.32412 27.36451       270.0726 58.55539 20.76465 74.09556 32.48093 -15.54017      38.55103 
1 1 1 1   11 42 o 230.2783 8.018882 1574.800       108.1320 1535.780       115.0757 1869.166       316.0719 227.1692 8.653236 240.8441 22.64247 -13.67496      24.23964 
1 1 1 1   11 43 o 35.07213 16.45986 -78.61354      85.78405 -89.81944      89.70449 41.24707       293.3790 35.22577 16.62449 75.49563 33.44194 -40.26986      37.34617 
1 1 1 1   11 44 o 152.8246 11.07125 707.0693       98.55659 688.9244       103.5497 881.7221       321.2619 150.5104 11.82583 149.7671 36.83511 0.7432709      38.68689 
1 1 1 1   11 45 o 38.15876 17.75080 -69.59727      96.21399 -131.0394      101.6299 461.2253       298.7190 35.11017 16.87797 105.4033 37.90576 -70.29315      41.49353 
1 1 1 1   11 46 o 141.1985 12.69315 614.2975       103.9908 651.5112       110.4105 321.9158       309.4813 145.2142 13.10523 91.78296 37.11659 53.43126       39.36227 
1 1 1 1   11 47 o 83.43481 20.85835 238.3353       101.7820 258.8150       106.5885 26.49715       342.8083 86.86047 21.12891 74.15164 34.14485 12.70882       40.15347 
1 1 1 1   11 48 o 59.52510 21.87173 108.9069       100.1921 34.00453       156.9851 160.3866       130.1453 57.19585 24.92449 69.04150 24.99473 -11.84565      35.29826 
1 1 1 1   11 49 o 160.2662 13.11674 801.4427       122.2097 817.9406       179.7836 787.2712       166.6265 155.8841 20.13503 154.1241 18.82432 1.759995       27.56400 
1 1 1 1   11 50 o 80.40810 24.09839 236.1193       122.5749 137.0662       191.1906 305.2455       159.7179 68.86131 28.64961 88.79575 27.68436 -19.93444      39.83998 
1 1 1 1   12 0  f 362.2584 7.331192 3852.714       155.7556 3608.661       203.1414 4200.854       242.6235 350.2893 9.898211 377.8408 10.96056 -27.55148      14.76850 
1 1 1 1   12 1  o 416.3868 8.011823 5091.207       195.6495 4809.154       256.5245 5483.439       302.5070 404.3117 10.82812 431.5946 11.96267 -27.28284      16.13548 
1 1 1 1   12 2  o 258.8786 6.318307 1966.902       95.92843 2137.664       138.2900 1808.526       133.1807 269.6351 8.756696 247.9516 9.174311 21.68353       12.68257 
1 1 1 1   12 3  f 92.13779 6.692506 250.4810       35.91751 250.1712       44.14313 251.0878       61.78392 91.93018 8.276065 91.65990 11.76423 0.2702789      14.38368 
1 1 1 1   12 4  o 706.9306 10.06926 14683.83       417.4697 14685.53       510.1220 14680.38       726.4280 706.6239 12.30935 705.4165 17.55886 1.207397       21.44374 
1 1 1 1   12 5  o 448.7437 6.943932 5910.252       182.7487 5930.116       222.5592 5869.138       320.1904 449.4009 8.444252 446.5934 12.23644 2.807434       14.86727 
1 1 1 1   12 6  f 282.6332 5.517244 2343.629       91.45258 2349.924       108.2293 2327.915       171.0084 282.9838 6.521280 281.3111 10.38308 1.672760       12.26113 
1 1 1 1   12 7  o 513.4997 7.112126 7738.045       214.1856 7775.421       285.1511 7689.658       324.4478 514.5886 9.448532 511.6365 10.81266 2.952118       14.35926 
1 1 1 1   12 8  o 708.7589 10.98673 14754.12       456.6857 15356.33       765.0781 14420.78       569.2168 721.8676 18.08589 700.3752 13.85787 21.49243       22.78464 
1 1 1 1   12 9  o 178.9739 6.095706 940.7903       63.88956 794.6020       96.17102 1056.278       85.47820 164.2105 10.03393 189.5699 7.704444 -25.35933      12.65062 
1 1 1 1   12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 11 o 269.4992 8.954390 2133.830       141.3320 1961.546       208.0999 2281.331       192.5516 258.0247 13.80204 278.4797 11.81657 -20.45496      18.16941 
1 1 1 1   12 12 o 890.7254 20.75630 23363.46       1084.287 22417.99       1486.070 24439.81       1585.591 870.2631 29.15760 908.5139 29.79869 -38.25079      41.69085 
1 1 1 1   12 13 o 411.1255 11.04934 4966.038       266.1752 5043.708       389.8342 4898.202       364.3171 413.8852 16.09080 407.9471 15.25425 5.938019       22.17219 
1 1 1 1   12 14 o 1220.175 17.04992 43789.47       1220.099 42339.36       1649.855 45539.70       1812.560 1198.192 23.47842 1242.218 24.87964 -44.02649      34.20866 
1 1 1 1   12 15 o 180.8585 6.175667 960.6899       65.40874 945.3640       68.67862 1110.238       214.5348 179.3911 6.538789 193.2576 19.18112 -13.86644      20.26503 
1 1 1 1   12 16 o 479.0907 7.253572 6734.677       203.8075 6623.462       229.4711 7150.129       443.5126 475.0772 8.235942 492.8942 15.36145 -17.81696      17.43000 
1 1 1 1   12 17 o 162.4864 7.152439 776.1858       67.99177 774.7078       71.97327 788.4460       207.2977 162.3056 7.582091 161.9687 22.42375 0.3369751      23.67092 
1 1 1 1   12 18 o 340.7756 6.112993 3407.006       122.1723 3402.816       135.7658 3424.842       280.1174 340.5460 6.797734 341.0190 14.03590 -0.4730530     15.59537 
1 1 1 1   12 19 o 463.9666 6.915799 6316.851       188.1827 6351.362       217.1110 6212.613       377.3242 465.1791 7.958134 459.4066 14.02089 5.772430       16.12195 
1 1 1 1   12 20 o 386.2206 6.337237 4377.142       143.5443 4313.291       160.9589 4625.248       317.2839 383.3568 7.159148 396.2836 13.67233 -12.92688      15.43327 
1 1 1 1   12 21 o 595.2924 8.059159 10404.97       281.3653 10345.61       325.3600 10581.03       560.3236 593.4598 9.348076 598.9713 15.96503 -5.511414      18.50051 
1 1 1 1   12 22 o 468.2580 6.940068 6436.760       190.5897 6353.086       217.1391 6717.538       397.7633 465.1241 7.960102 477.3161 14.22502 -12.19208      16.30075 
1 1 1 1   12 23 o 238.6622 5.724170 1671.719       80.12104 1627.365       87.19695 1912.212       203.0418 235.3678 6.322623 254.3759 13.66013 -19.00804      15.05240 
1 1 1 1   12 24 o 321.5723 5.847661 3035.505       110.2837 2906.575       120.9146 3673.513       268.9761 314.6270 6.552878 352.7921 13.02237 -38.16513      14.57815 
1 1 1 1   12 25 o 268.3608 6.304130 2114.754       99.21899 2114.754       99.21899 0.000000       0.000000 268.3608 6.304130 ?        ?        0.000000       6.304130 
1 1 1 1   12 26 o 176.6906 6.534357 918.2383       67.59553 902.0320       72.40842 1028.131       188.5531 175.0773 7.066461 185.3445 17.55542 -10.26717      18.92426 
1 1 1 1   12 27 o 338.4158 7.448807 3366.322       147.8386 3172.221       171.9506 3916.501       289.4962 328.2222 8.941082 363.7705 13.59344 -35.54831      16.27036 
1 1 1 1   12 28 o 134.1762 8.202294 531.5488       64.23641 511.6144       67.94061 699.5520       197.2359 131.5507 8.857779 151.0058 22.99615 -19.45515      24.64312 
1 1 1 1   12 29 o 234.3378 6.371790 1614.705       87.48853 1620.248       95.33917 1585.145       220.1654 234.6810 6.934570 230.4178 16.39950 4.263245       17.80539 
1 1 1 1   12 30 o 343.5900 6.383193 3468.801       128.6261 3393.803       142.9767 3787.148       294.5725 339.7650 7.175233 357.3486 14.08318 -17.58365      15.80570 
1 1 1 1   12 31 o 273.3689 6.708060 2196.220       107.5466 2210.237       118.1257 2128.312       260.0024 274.0811 7.355421 267.0915 16.68172 6.989624       18.23134 
1 1 1 1   12 32 o 214.7381 7.934723 1358.248       99.75711 1328.979       108.3167 1521.785       256.0375 212.3102 8.717640 224.8685 19.61041 -12.55829      21.46078 
1 1 1 1   12 33 o 240.4507 7.410439 1701.941       104.3763 1699.952       112.3542 1714.474       282.0243 240.2357 7.985556 238.3801 20.36774 1.855560       21.87725 
1 1 1 1   12 34 o 212.0549 7.878798 1325.276       97.81443 1270.151       104.6672 1705.381       274.8450 207.4879 8.620140 237.6057 19.90615 -30.11778      21.69243 
1 1 1 1   12 35 o 250.2269 7.555542 1844.854       110.7522 1755.071       118.3497 2477.559       314.1744 243.9381 8.284526 286.6788 18.78993 -42.74074      20.53521 
1 1 1 1   12 36 o 320.6048 9.999638 3039.998       187.7905 2886.824       223.3320 3409.678       346.9531 311.7529 12.23868 336.5927 17.63736 -24.83981      21.46769 
1 1 1 1   12 37 o 324.6865 7.152024 3104.542       136.1895 3087.979       149.0342 3188.397       335.3315 323.6783 7.850946 325.1038 17.65364 -1.425507      19.32067 
1 1 1 1   12 38 o 189.2485 9.252954 1061.164       102.3870 1049.644       109.0470 1146.926       297.5314 188.0711 9.921570 189.5597 27.57066 -1.488663      29.30152 
1 1 1 1   12 39 f 167.1530 10.16133 831.5889       99.14225 794.7780       104.6895 1151.584       308.6649 163.1892 11.00290 188.1221 28.89962 -24.93294      30.92333 
1 1 1 1   12 40 o 180.5981 9.357172 970.4698       98.76994 973.1680       104.2538 946.8281       308.6035 180.7015 9.874913 165.8046 32.89770 14.89685       34.34782 
1 1 1 1   12 41 o 93.66868 17.14449 277.0082       90.71267 289.9237       95.56409 159.4055       288.3691 95.67891 17.68168 84.57709 35.18642 11.10182       39.37926 
1 1 1 1   12 42 o 36.74534 17.05989 -66.95239      88.19944 -75.92435      92.02486 34.28160       309.1183 36.98516 17.25667 77.02235 34.21135 -40.03719      38.31722 
1 1 1 1   12 43 o 113.2175 14.21165 396.7657       92.29076 399.2186       96.56993 370.9133       313.5085 113.2863 14.89550 100.1751 38.29055 13.11122       41.08579 
1 1 1 1   12 44 o 34.36339 16.49283 -122.9428      96.17295 -136.0996      101.0178 4.434271       314.3168 34.72675 16.72760 73.67277 33.45439 -38.94601      37.40332 
1 1 1 1   12 45 o 77.42188 21.45823 203.0686       100.8051 255.5174       106.4552 -252.0545      313.5913 86.99099 21.08787 61.88115 29.72138 25.10984       36.44254 
1 1 1 1   12 46 o 62.48568 21.92851 124.0001       99.41876 101.8565       103.6662 377.7337       350.9147 59.21619 22.15579 95.48566 39.17992 -36.26946      45.01050 
1 1 1 1   12 47 o 58.05190 22.13181 95.84661       104.5611 89.22099       109.7835 160.5591       343.0974 57.64100 22.48968 80.37646 35.85055 -22.73546      42.32077 
1 1 1 1   12 48 f 155.2587 12.83106 748.4102       115.7918 721.9496       123.2841 946.4713       337.2929 151.6698 14.01839 144.7098 38.90652 6.959915       41.35496 
1 1 1 1   12 49 o 41.23928 19.13410 -62.71959      110.6805 10.14754       181.6553 -105.7412      139.5809 57.79199 25.90910 43.82763 20.70019 13.96436       33.16292 
1 1 1 1   12 50 o 163.4050 13.82955 841.2190       131.2896 945.0086       195.1142 755.3432       177.4792 166.8790 20.35674 148.4646 20.96618 18.41438       29.22290 
1 1 1 1   13 0  o 612.5365 10.87486 11025.60       390.6664 10663.70       526.3312 11469.59       582.9717 601.8409 14.91169 623.7898 15.94833 -21.94891      21.83364 
1 1 1 1   13 1  f 183.5165 6.743457 989.7020       72.45512 1011.817       94.62331 958.3564       112.6528 185.4259 8.725636 180.2831 10.70275 5.142761       13.80889 
1 1 1 1   13 2  o 577.0573 10.35318 9782.682       350.3831 10608.99       543.8830 9196.435       458.1154 600.0581 15.46763 559.0775 13.97180 40.98059       20.84368 
1 1 1 1   13 3  o 332.6651 5.839530 3246.970       113.9294 3164.014       132.8499 3477.579       221.5013 328.3517 6.898765 343.8561 10.99785 -15.50443      12.98252 
1 1 1 1   13 4  o 748.5993 10.60148 16461.67       465.4429 16418.39       566.5793 16551.50       816.2603 747.2988 12.92754 749.2942 18.57487 -1.995422      22.63067 
1 1 1 1   13 5  o 241.5501 5.446155 1711.668       77.15209 1718.444       90.06245 1692.985       149.5496 241.9259 6.353117 239.8484 10.65820 2.077499       12.40804 
1 1 1 1   13 6  o 187.9372 6.948460 1037.798       76.45458 943.3766       91.32770 1258.971       139.7758 179.0617 8.722839 206.7000 11.57657 -27.63821      14.49500 
1 1 1 1   13 7  o 273.4225 5.212214 2192.958       83.58091 2184.581       106.0039 2206.724       135.8878 272.8725 6.623865 274.0762 8.464076 -1.203674      10.74784 
1 1 1 1   13 8  o 345.6291 5.644197 3504.231       114.4098 3485.663       149.3377 3530.615       178.0130 344.6693 7.387822 346.7322 8.761025 -2.062897      11.46017 
1 1 1 1   13 9  o 268.9990 6.185797 2122.718       97.58807 1982.137       146.0771 2236.032       131.1476 259.6898 9.607846 275.9274 8.113105 -16.23761      12.57510 
1 1 1 1   13 10 o 479.9233 8.148513 6758.475       229.3510 6821.101       364.0858 6717.273       295.3095 481.7326 12.89847 478.3535 10.52635 3.379089       16.64856 
1 1 1 1   13 11 o 479.5784 9.218924 6749.975       259.2928 6912.073       371.0162 6595.214       362.5220 484.9245 13.05761 473.6707 13.06238 11.25381       18.46962 
1 1 1 1   13 12 o 272.7638 9.381315 2186.197       149.8491 2083.762       234.2845 2257.114       194.9369 265.8430 15.08880 276.9773 12.02918 -11.13425      19.29697 
1 1 1 1   13 13 o 585.1361 14.40357 10061.70       494.2851 9783.198       693.3323 10349.54       704.8596 575.9761 20.55813 592.4720 20.31549 -16.49591      28.90252 
1 1 1 1   13 14 o 549.7766 10.34818 8873.558       333.6575 9330.777       411.5822 7997.050       569.8649 563.6161 12.45153 520.9039 18.68391 42.71216       22.45282 
1 1 1 1   13 15 o 513.4770 11.48182 7743.104       345.7660 7743.104       345.7660 0.000000       0.000000 513.4770 11.48182 ?        ?        0.000000       11.48182 
1 1 1 1   13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   13 17 o 646.4362 8.921943 12266.65       338.2483 12018.80       386.5166 13077.24       698.9951 639.7608 10.30149 666.1618 17.90762 -26.40100      20.65923 
1 1 1 1   13 18 o 288.5873 7.509694 2445.802       126.9933 2328.944       148.5311 2763.385       244.8596 281.5101 9.008085 306.2657 13.66670 -24.75565      16.36839 
1 1 1 1   13 19 o 403.5885 6.379758 4779.600       151.0057 4697.188       168.9422 5107.057       336.7623 400.0569 7.200552 416.4401 13.80770 -16.38318      15.57243 
1 1 1 1   13 20 o 437.0786 7.674072 5608.275       196.7143 5608.275       196.7143 0.000000       0.000000 437.0786 7.674072 ?        ?        0.000000       7.674072 
1 1 1 1   13 21 o 591.5117 8.089460 10274.72       280.6296 10228.70       324.4897 10411.25       558.9575 590.0405 9.377102 593.9653 16.06075 -3.924805      18.59779 
1 1 1 1   13 22 o 366.6284 6.071631 3945.259       130.5515 3917.873       146.5518 4050.534       287.3353 365.3081 6.840397 370.6097 13.24098 -5.301666      14.90351 
1 1 1 1   13 23 o 67.85278 20.74677 137.0602       90.21672 143.1361       110.9680 125.2150       154.9404 70.70037 23.18655 73.09015 27.13729 -2.389778      35.69382 
1 1 1 1   13 24 o 197.3265 6.426398 1144.580       74.27180 1144.580       74.27180 0.000000       0.000000 197.3265 6.426398 ?        ?        0.000000       6.426398 
1 1 1 1   13 25 o 213.2462 5.934434 1336.246       74.14617 1278.439       79.38622 1731.272       207.5230 208.5351 6.498991 241.5727 14.71748 -33.03760      16.08854 
1 1 1 1   13 26 o 305.0447 5.857330 2732.488       104.7885 2674.590       115.1548 3011.331       252.7134 301.7459 6.507141 318.9784 13.53958 -17.23248      15.02209 
1 1 1 1   13 27 o 229.7446 5.954574 1551.326       80.16415 1519.087       86.35260 1752.375       215.6430 227.2947 6.484548 242.7155 15.22583 -15.42075      16.54918 
1 1 1 1   13 28 o 218.1751 6.415557 1399.797       82.00082 1387.103       88.10165 1482.047       224.2606 217.1316 6.927342 222.5659 17.31700 -5.434372      18.65118 
1 1 1 1   13 29 o 100.7579 11.67366 303.6385       67.70731 256.2039       71.26057 744.0140       217.1268 92.08838 13.60349 155.2198 24.67658 -63.13142      28.17780 
1 1 1 1   13 30 o 288.6754 6.422816 2448.643       108.7391 2434.689       118.5477 2522.650       273.0161 287.7943 7.023611 291.0280 16.05793 -3.233704      17.52678 
1 1 1 1   13 31 o 127.0239 11.57211 480.1044       85.26263 515.4559       91.55273 249.0321       234.0675 131.5858 11.99521 94.76018 33.61231 36.82562       35.68855 
1 1 1 1   13 32 o 160.7956 9.830625 764.6941       92.26253 787.0468       98.66763 609.1049       260.3154 163.0599 10.37131 137.8493 32.69661 25.21060       34.30207 
1 1 1 1   13 33 o 208.3165 8.035857 1279.001       97.99210 1250.320       104.6784 1482.233       278.6500 205.8755 8.689198 220.9294 21.78910 -15.05392      23.45777 
1 1 1 1   13 34 f 341.5769 6.901785 3431.518       138.2612 3414.560       151.2177 3517.950       341.3907 340.6295 7.569546 342.8773 17.03036 -2.247864      18.63682 
1 1 1 1   13 35 o 59.81601 20.35721 100.8317       85.42025 76.58704       90.45852 300.4695       259.5749 56.16986 20.75723 100.6536 35.42406 -44.48373      41.05760 
1 1 1 1   13 36 o 93.77547 17.23811 271.7134       91.31207 223.3435       96.07935 723.1656       293.5271 84.35177 19.76857 147.6075 34.52553 -63.25568      39.78453 
1 1 1 1   13 37 o 276.3993 7.576365 2253.047       122.6983 2248.091       131.9910 2284.577       332.8937 275.9685 8.164170 273.2725 20.93038 2.696045       22.46630 
1 1 1 1   13 38 o 131.5939 13.30435 521.7511       101.2698 455.8602       107.6016 1032.700       299.6365 122.3672 15.32893 178.1661 29.72249 -55.79897      33.44252 
1 1 1 1   13 39 o 202.2103 9.094222 1213.338       107.5738 1207.663       114.7623 1254.432       308.8039 201.5622 9.737018 196.6803 27.52394 4.881927       29.19549 
1 1 1 1   13 40 o 43.67632 18.92554 -4.102529      89.45337 -13.13874      93.59337 91.31258       304.1309 43.62340 19.12206 82.00108 35.20877 -38.37768      40.06632 
1 1 1 1   13 41 o 245.3448 7.763301 1785.316       111.5647 1828.205       119.4387 1491.824       312.4394 248.1080 8.219657 212.8222 25.54189 35.28574       26.83190 
1 1 1 1   13 42 o 57.04813 20.82977 90.11851       90.65216 89.37965       94.71962 98.17148       312.7051 57.41547 21.23635 80.80342 35.19527 -23.38795      41.10584 
1 1 1 1   13 43 o 101.9256 17.08082 330.7818       98.49480 365.6285       103.9339 23.74508       308.5119 107.2594 17.09573 75.07468 33.70250 32.18476       37.79050 
1 1 1 1   13 44 o 143.1221 12.27681 626.7618       102.0542 625.0578       107.5518 642.1627       323.3400 142.5679 13.00617 122.3403 39.54146 20.22763       41.62556 
1 1 1 1   13 45 o 44.93942 19.57773 1.275581       96.79672 45.18521       101.4468 -445.0214      323.4226 51.08488 21.02481 56.67651 27.86996 -5.591629      34.91099 
1 1 1 1   13 46 o 39.67825 18.40553 -65.03262      102.3216 -47.58741      106.7505 -262.2825      358.9552 42.08604 19.25860 64.72111 31.26405 -22.63506      36.71967 
1 1 1 1   13 47 o 60.30836 22.38866 110.8484       105.4536 122.4620       111.0228 3.723668       337.1883 62.50506 23.01388 72.03987 33.41529 -9.534813      40.57365 
1 1 1 1   13 48 o 73.20593 23.34288 189.4497       112.9554 154.6559       119.5751 477.8513       344.2617 67.55530 24.01794 99.17992 39.47457 -31.62462      46.20718 
1 1 1 1   13 49 o 120.2914 24.09930 519.3284       164.0858 485.9464       184.9529 642.7288       355.6015 112.3290 28.13763 110.2416 41.07697 2.087364       49.78999 
1 1 1 1   14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   14 1  o 772.5714 13.37981 17544.61       606.2324 16823.71       805.2119 18487.97       921.1136 755.7665 18.16653 791.6816 19.85431 -35.91510      26.91127 
1 1 1 1   14 2  o 874.0509 15.02989 22468.87       770.4472 24911.89       1242.084 20941.09       982.2422 918.2140 23.08347 842.8797 19.87021 75.33429       30.45771 
1 1 1 1   14 3  o 751.9460 13.06521 16616.14       576.1738 17497.77       868.3345 15922.63       770.1400 770.6728 19.21173 735.3997 17.85648 35.27313       26.22869 
1 1 1 1   14 4  o 399.2653 6.551264 4677.008       153.4042 4826.326       190.1500 4398.663       259.6163 405.5374 7.994934 386.8278 11.45625 18.70959       13.97013 
1 1 1 1   14 5  o 355.8391 6.189139 3714.648       129.1619 3690.102       152.8908 3775.831       241.3857 354.6297 7.351160 358.3821 11.49945 -3.752441      13.64833 
1 1 1 1   14 6  o 351.8372 6.186095 3631.468       127.6465 3636.906       152.1340 3618.535       234.6141 352.0703 7.367945 350.8522 11.41716 1.218140       13.58816 
1 1 1 1   14 7  o 292.5587 5.898316 2510.740       101.2026 2502.432       118.0638 2533.753       196.5068 292.0552 6.892889 293.5299 11.43685 -1.474701      13.35341 
1 1 1 1   14 8  o 599.3248 8.075480 10539.63       283.8449 10362.55       368.2373 10798.89       445.5598 594.1321 10.56804 606.3761 12.52891 -12.24402      16.39076 
1 1 1 1   14 9  o 370.0678 7.100691 4017.892       154.1106 4428.928       262.0005 3800.445       190.5634 388.2091 11.52037 359.7460 9.039349 28.46310       14.64339 
1 1 1 1   14 10 o 628.5748 9.972354 11597.47       367.6251 11249.65       560.9254 11859.37       486.7335 618.6486 15.46004 635.4081 13.06135 -16.75952      20.23886 
1 1 1 1   14 11 o 579.0986 20.10120 9886.109       681.6573 0.000000       0.000000 9886.109       681.6573 ?        ?        579.0986 20.10120 0.000000       20.10120 
1 1 1 1   14 12 o 834.0920 27.77338 20588.96       1356.710 0.000000       0.000000 20588.96       1356.710 ?        ?        834.0920 27.77338 0.000000       27.77338 
1 1 1 1   14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   14 14 o 456.9376 7.754040 6126.811       207.7952 5929.225       284.5094 6352.712       304.2126 449.3635 10.79564 465.1134 11.15238 -15.74991      15.52164 
1 1 1 1   14 15 o 380.2645 7.332795 4243.047       163.5331 4090.992       226.0940 4409.872       236.8203 373.1246 10.34198 387.3975 10.43295 -14.27292      14.69023 
1 1 1 1   14 16 o 461.0683 10.83031 6243.388       292.8578 6243.388       292.8578 0.000000       0.000000 461.0683 10.83031 ?        ?        0.000000       10.83031 
1 1 1 1   14 17 o 426.1374 6.598257 5328.321       164.9033 5154.647       183.1284 6072.886       379.1762 419.0992 7.450551 454.1983 14.25223 -35.09912      16.08219 
1 1 1 1   14 18 o 678.2795 9.274568 13509.76       368.9376 13246.48       423.1546 14344.20       753.3488 671.4767 10.74528 697.2311 18.43955 -25.75433      21.34193 
1 1 1 1   14 19 o 298.2406 7.879835 2613.135       137.7063 2613.135       137.7063 0.000000       0.000000 298.2406 7.879835 ?        ?        0.000000       7.879835 
1 1 1 1   14 20 o 209.8104 5.857338 1292.797       72.00335 1285.346       77.23273 1342.293       199.0638 209.1795 6.302711 212.7686 16.07154 -3.589081      17.26321 
1 1 1 1   14 21 o 444.1811 6.689796 5791.795       174.2703 5711.160       197.0237 6081.667       373.5601 441.0071 7.617672 454.1064 14.04348 -13.09933      15.97649 
1 1 1 1   14 22 o 230.4053 5.704645 1558.121       77.08531 1500.035       82.76952 1937.978       211.6627 225.9630 6.251729 255.9761 14.15430 -30.01311      15.47347 
1 1 1 1   14 23 o 396.2147 7.240519 4611.164       168.2484 4611.164       168.2484 0.000000       0.000000 396.2147 7.240519 ?        ?        0.000000       7.240519 
1 1 1 1   14 24 o 279.2158 6.330080 2289.432       103.6572 2289.432       103.6572 0.000000       0.000000 279.2158 6.330080 ?        ?        0.000000       6.330080 
1 1 1 1   14 25 o 198.9021 6.209192 1163.015       72.34236 1095.978       77.39690 1626.555       203.5202 193.0255 6.847737 234.0247 14.90591 -40.99919      16.40359 
1 1 1 1   14 26 o 385.8361 6.267084 4372.954       141.8139 4338.158       160.0797 4499.855       305.7099 384.2037 7.104346 389.9759 13.38645 -5.772247      15.15483 
1 1 1 1   14 27 o 247.7301 5.943024 1802.622       86.34494 1842.616       94.28666 1594.765       214.9478 250.3458 6.427154 231.2872 15.94397 19.05862       17.19065 
1 1 1 1   14 28 o 321.9009 6.164736 3044.257       116.3824 2944.258       127.1901 3558.783       288.5086 316.4998 6.852190 346.3532 14.23362 -29.85345      15.79710 
1 1 1 1   14 29 o 193.8450 7.107340 1106.108       80.66335 1109.674       86.55194 1082.547       222.4895 194.1023 7.617978 189.1721 20.37495 4.930176       21.75253 
1 1 1 1   14 30 o 78.41746 16.96936 189.7374       75.77235 235.3975       80.24613 -185.8468      230.1493 87.68929 16.20030 59.30784 27.54293 28.38145       31.95408 
1 1 1 1   14 31 o 519.0548 7.902310 7924.887       240.5569 7786.758       270.7831 8442.047       523.9537 514.2802 8.977827 532.5793 16.79583 -18.29919      19.04472 
1 1 1 1   14 32 o 38.65374 17.18916 -28.06388      78.26730 -43.88765      82.42777 116.9218       249.5062 38.12260 17.23952 83.04853 33.41788 -44.92593      37.60260 
1 1 1 1   14 33 o 326.0504 6.766831 3125.826       129.3959 3054.855       139.8452 3548.192       341.1565 322.2426 7.399703 344.5461 16.93513 -22.30356      18.48119 
1 1 1 1   14 34 o 108.9953 13.84721 358.2635       86.52048 340.2797       90.86761 532.8428       283.1164 105.9146 15.05189 127.3304 36.20331 -21.41573      39.20764 
1 1 1 1   14 35 o 201.5536 8.382253 1199.608       98.86736 1214.961       105.6982 1092.213       279.5544 202.7500 8.910834 186.6617 26.26158 16.08835       27.73217 
1 1 1 1   14 36 o 168.8465 9.785411 845.3611       96.48439 827.9268       101.8725 997.2177       300.6579 166.9592 10.45640 175.9418 30.22639 -8.982681      31.98391 
1 1 1 1   14 37 o 70.24368 23.67011 144.9556       115.4682 197.9153       124.2534 -190.3279      312.6381 79.59769 24.34979 69.83975 32.31844 9.757935       40.46473 
1 1 1 1   14 38 o 36.75533 17.23546 -90.23148      93.72410 -98.88976      99.06686 -16.39315      289.3034 37.48734 17.62325 75.57811 33.35600 -38.09077      37.72534 
1 1 1 1   14 39 o 190.8986 8.968344 1082.317       100.1267 1099.959       106.3615 944.9373       296.8073 192.3154 9.459198 167.0621 31.44688 25.25328       32.83874 
1 1 1 1   14 40 o 54.92231 20.62367 75.63590       89.99483 110.8237       94.42544 -273.1480      297.2836 61.48549 21.38483 62.06333 29.57121 -0.5778427     36.49339 
1 1 1 1   14 41 o 206.0821 8.622662 1264.379       103.9852 1227.739       110.1254 1565.735       315.8269 202.8269 9.282481 217.8740 25.17968 -15.04712      26.83618 
1 1 1 1   14 42 o 122.0437 13.58643 457.8088       95.59917 511.3757       100.5616 -45.10833      308.1288 129.1027 13.47987 72.05122 32.87502 57.05144       35.53130 
1 1 1 1   14 43 o 127.0161 13.81143 498.4747       101.2293 588.0543       107.4508 -208.5788      301.8777 138.2498 13.42107 63.13905 30.00267 75.11075       32.86769 
1 1 1 1   14 44 o 253.6513 8.348941 1921.545       124.0300 1886.260       132.6495 2166.885       349.7816 250.9239 9.028621 253.8184 23.77427 -2.894516      25.43092 
1 1 1 1   14 45 o 107.3006 17.01677 370.7303       103.5156 313.8445       109.0354 890.2895       329.5208 97.05424 19.82661 145.0514 38.21049 -47.99712      43.04807 
1 1 1 1   14 46 o 98.58305 18.85867 322.5078       105.0630 289.3454       110.2092 652.9324       347.8810 92.08583 20.88848 116.4980 41.00856 -24.41213      46.02206 
1 1 1 1   14 47 o 63.76287 22.83537 132.0292       108.2850 113.3629       114.8967 280.3584       323.8850 61.36843 23.24584 86.20168 36.65386 -24.83324      43.40363 
1 1 1 1   14 48 o 47.26069 20.94961 -3.420312      115.3324 -25.74094      122.3304 175.0963       345.9556 46.50312 21.01816 79.44843 35.67569 -32.94532      41.40673 
1 1 1 1   14 49 o 39.86323 18.83129 -95.30963      115.6147 -93.22560      120.9509 -117.3768      393.5774 41.07250 19.35938 69.49030 33.35534 -28.41779      38.56636 
1 1 1 1   15 0  f 654.1680 11.56750 12566.94       443.7920 11888.55       578.2052 13539.56       692.3338 635.8994 15.50398 678.1663 17.42162 -42.26697      23.32137 
1 1 1 1   15 1  o 553.9440 10.05784 9007.947       326.7542 9400.624       482.2306 8674.618       444.2972 565.3660 14.55579 543.1461 13.95939 22.21991       20.16769 
1 1 1 1   15 2  f 427.4900 8.430701 5362.915       211.3685 5845.832       318.5630 4983.110       282.5136 445.9728 12.19113 411.7642 11.71066 34.20859       16.90454 
1 1 1 1   15 3  o 533.5226 9.806624 8355.326       306.8477 8598.426       441.8708 8128.911       426.4371 540.7720 13.94418 525.8010 13.84079 14.97107       19.64708 
1 1 1 1   15 4  o 254.9885 5.801011 1907.266       86.75105 1866.923       98.08003 2052.263       185.9398 252.1766 6.637477 264.0802 12.03731 -11.90356      13.74602 
1 1 1 1   15 5  o 472.2817 7.400784 6544.254       204.9884 6564.876       247.2018 6498.858       366.7715 472.9672 8.911896 470.1664 13.31469 2.800842       16.02195 
1 1 1 1   15 6  o 731.0242 10.44201 15687.44       447.6786 15513.31       538.1453 16078.75       806.7178 726.7750 12.62551 738.9852 18.62867 -12.21021      22.50402 
1 1 1 1   15 7  o 38.96053 15.76338 18.31916       55.85254 41.65801       61.60151 -89.50283      132.4053 44.87374 17.01574 47.09041 21.51056 -2.216667      27.42699 
1 1 1 1   15 8  o 427.5287 6.552563 5362.119       164.2960 5156.213       203.8593 5743.711       277.5209 419.1860 8.292266 442.3226 10.69808 -23.13654      13.53553 
1 1 1 1   15 9  o 474.0677 6.945782 6593.463       193.1133 6533.612       252.5817 6677.673       299.6069 471.8275 9.127841 476.9250 10.71152 -5.097534      14.07317 
1 1 1 1   15 10 o 43.94484 19.73287 -51.19537      105.8385 0.000000       0.000000 -51.19537      105.8385 ?        ?        43.94484 19.73287 0.000000       19.73287 
1 1 1 1   15 11 o 283.1105 14.24904 2361.406       235.8271 0.000000       0.000000 2361.406       235.8271 ?        ?        283.1105 14.24904 0.000000       14.24904 
1 1 1 1   15 12 o 509.5871 18.23929 7652.693       544.2217 0.000000       0.000000 7652.693       544.2217 ?        ?        509.5871 18.23929 0.000000       18.23929 
1 1 1 1   15 13 o 1152.099 17.86908 39067.98       1207.376 38111.59       1822.558 39815.94       1611.778 1135.064 27.37856 1161.446 23.66224 -26.38196      36.18684 
1 1 1 1   15 14 o 561.3054 14.18861 9267.841       466.7038 10060.24       718.2552 8688.817       613.9812 583.7547 21.01392 542.7443 19.31980 41.01044       28.54539 
1 1 1 1   15 15 o 327.0385 6.926884 3138.303       132.8579 3081.710       184.7125 3198.963       191.2361 323.8300 9.736937 329.9271 9.894465 -6.097076      13.88194 
1 1 1 1   15 16 o 701.6506 10.18895 14458.13       419.2768 13949.33       567.6671 15068.87       621.9358 688.7294 14.05382 715.7206 14.81670 -26.99115      20.42167 
1 1 1 1   15 17 o 234.5903 5.814512 1614.659       79.99704 1567.708       85.30573 1957.048       230.3661 231.0577 6.301048 257.3947 15.32994 -26.33699      16.57438 
1 1 1 1   15 18 o 717.5835 9.687952 15126.06       407.7133 14972.76       473.7136 15564.09       800.7645 713.7104 11.31731 725.9001 18.82540 -12.18964      21.96536 
1 1 1 1   15 19 o 474.8889 7.023657 6619.974       195.6167 6590.690       224.6328 6711.868       397.9292 473.7574 8.084750 477.1941 14.23462 -3.436676      16.37033 
1 1 1 1   15 20 o 171.8707 11.49790 872.7900       115.2300 913.6099       145.0362 802.9221       189.7493 175.5221 14.21088 163.4713 20.22275 12.05081       24.71657 
1 1 1 1   15 21 o 365.6361 6.074810 3924.250       130.2664 3784.354       142.9685 4608.252       316.1304 359.0145 6.790126 395.1826 13.66065 -36.16812      15.25514 
1 1 1 1   15 22 o 243.7154 5.698370 1743.515       81.44868 1680.147       87.94178 2125.715       215.9775 239.1378 6.275843 268.1016 13.78220 -28.96385      15.14382 
1 1 1 1   15 23 o 216.4261 6.201215 1376.514       78.63014 1376.514       78.63014 0.000000       0.000000 216.4261 6.201215 ?        ?        0.000000       6.201215 
1 1 1 1   15 24 o 412.0431 6.516927 4986.766       157.4838 4991.479       179.8916 4971.305       325.8301 412.1349 7.442536 410.0644 13.56710 2.070526       15.47441 
1 1 1 1   15 25 o 353.0475 6.795903 3662.171       140.7119 3662.171       140.7119 0.000000       0.000000 353.0475 6.795903 ?        ?        0.000000       6.795903 
1 1 1 1   15 26 o 427.7359 6.641216 5376.043       166.5996 5362.478       189.2221 5422.818       351.3656 427.0673 7.554834 427.8567 14.02159 -0.7893677     15.92735 
1 1 1 1   15 27 o 254.3633 6.143369 1900.780       91.64558 1834.681       98.40107 2333.195       251.6823 249.7660 6.723745 280.0487 15.38296 -30.28275      16.78821 
1 1 1 1   15 28 o 256.4006 6.305851 1931.617       94.82291 1958.299       102.9229 1781.837       243.8541 258.0341 6.807126 244.1438 17.13965 13.89024       18.44192 
1 1 1 1   15 29 o 48.06221 18.30517 48.60135       71.48444 60.94326       75.05347 -71.98659      234.6019 51.01595 18.89737 66.73872 29.71416 -15.72277      35.21423 
1 1 1 1   15 30 o 345.4393 7.023648 3507.640       142.2935 3501.649       157.5667 3534.126       331.3027 345.0487 7.786341 344.5038 16.44509 0.5449524      18.19528 
1 1 1 1   15 31 o 291.5071 6.962077 2498.011       119.0251 2537.280       129.8893 2292.290       297.2953 293.6296 7.548893 276.6179 18.43070 17.01172       19.91674 
1 1 1 1   15 32 o 137.1182 11.15867 558.7810       88.95916 537.4539       94.52506 724.0449       263.1301 134.2933 12.13240 150.7411 30.80524 -16.44777      33.10828 
1 1 1 1   15 33 o 426.8300 7.146580 5359.407       178.8973 5290.441       198.1701 5663.128       415.8720 423.9100 7.971021 435.5573 16.30916 -11.64731      18.15285 
1 1 1 1   15 34 o 542.3040 7.992595 8663.709       254.2033 8583.489       288.3747 8943.299       538.3636 539.4153 9.115560 546.4608 16.81835 -7.045410      19.12983 
1 1 1 1   15 35 o 192.5296 8.970927 1096.231       101.0159 1084.130       107.0273 1194.964       305.7173 191.3506 9.567398 194.5190 27.56991 -3.168381      29.18279 
1 1 1 1   15 36 o 170.3949 10.03131 861.6746       99.80195 858.2573       105.5624 890.4468       306.3074 169.9279 10.64588 164.4540 32.90834 5.473953       34.58748 
1 1 1 1   15 37 o 138.5321 15.56251 582.8770       124.2548 555.0474       134.0631 752.4607       330.9390 134.5713 17.39299 147.2891 38.04489 -12.71785      41.83216 
1 1 1 1   15 38 o 123.4322 19.97637 477.7428       139.6713 478.0249       160.1463 476.8463       285.4851 122.1807 23.19745 117.1663 37.08071 5.014351       43.73901 
1 1 1 1   15 39 o 123.6214 13.15332 464.0687       93.90046 435.6716       99.31487 703.4099       288.3273 119.3024 14.49113 140.4207 35.10757 -21.11829      37.98071 
1 1 1 1   15 40 o 30.37748 14.79754 -144.5236      84.94258 -133.4341      88.85864 -262.0843      289.3170 32.11116 15.52220 61.20330 29.16447 -29.09214      33.03794 
1 1 1 1   15 41 o 107.3317 15.28535 358.8706       93.50137 324.6089       98.45528 673.8578       298.5253 101.2176 17.20053 132.4302 37.01028 -31.21257      40.81199 
1 1 1 1   15 42 f 240.1358 8.385882 1718.031       117.9204 1699.525       125.4406 1858.639       345.7695 238.5613 8.981812 235.3798 25.45201 3.181503       26.99032 
1 1 1 1   15 43 o 180.3954 10.32637 981.5767       108.7942 993.3334       116.0606 896.4090       312.3766 181.1513 10.97578 151.1536 35.79409 29.99771       37.43908 
1 1 1 1   15 44 o 41.70818 18.87185 -35.40665      98.94537 -46.86139      104.1791 70.08205       316.1483 41.83744 19.09939 76.24678 34.18160 -34.40934      39.15570 
1 1 1 1   15 45 o 81.26575 21.60207 226.9606       104.7148 213.3981       110.0628 356.4332       340.0640 78.44419 22.65889 93.75546 38.53049 -15.31126      44.69926 
1 1 1 1   15 46 o 118.9300 16.88494 457.4023       114.4657 475.4789       120.6016 293.1926       363.4921 120.8743 17.52289 88.32931 38.21241 32.54499       42.03856 
1 1 1 1   15 47 o 75.50044 23.34309 201.9640       113.8200 212.1712       120.5319 117.8953       345.9112 77.02811 24.05487 77.38271 35.12186 -0.3545990     42.56974 
1 1 1 1   15 48 o 73.49140 23.90615 193.4218       118.0781 131.8669       123.8239 810.8899       392.1752 64.13414 24.16798 120.9477 43.44029 -56.81351      49.71066 
1 1 1 1   15 49 o 43.02898 19.81834 -50.56187      115.5830 -95.91810      121.0310 419.4922       389.6298 40.83892 19.28469 92.11225 39.70428 -51.27333      44.13988 
1 1 1 1   16 0  o 1246.190 21.09892 45740.51       1542.037 42420.30       1935.339 51513.20       2551.897 1198.258 27.53951 1317.894 33.04265 -119.6355      43.01443 
1 1 1 1   16 1  o 407.2799 8.230811 4867.409       196.6012 4561.083       252.0408 5343.442       314.1934 394.0048 10.91786 426.3560 12.57909 -32.35120      16.65633 
1 1 1 1   16 2  o 348.6702 7.683294 3567.005       157.1133 3637.256       216.7128 3489.172       228.1084 351.8409 10.51417 344.5436 11.30407 7.297333       15.43794 
1 1 1 1   16 3  o 604.3895 8.889332 10719.95       315.0914 11379.64       411.8427 9788.723       489.3190 622.5604 11.27975 576.9909 14.47156 45.56952       18.34826 
1 1 1 1   16 4  o 343.0915 5.597909 3452.825       112.6384 3562.132       152.6407 3322.138       166.9023 348.4378 7.469554 336.3627 8.467384 12.07504       11.29118 
1 1 1 1   16 5  o 224.2363 6.247669 1476.173       82.08256 1476.325       91.35829 1475.536       186.9602 224.2166 6.955932 223.6343 14.33018 0.5823364      15.92919 
1 1 1 1   16 6  o 554.7075 8.372634 9029.302       272.3809 8876.912       322.2457 9410.606       509.7350 549.9245 9.991565 565.6191 15.38060 -15.69458      18.34105 
1 1 1 1   16 7  o 512.2876 7.953354 7700.678       238.9542 7810.942       292.8631 7481.073       413.3026 515.8621 9.680115 504.3968 13.98507 11.46527       17.00843 
1 1 1 1   16 8  o 451.8569 6.984844 5990.234       185.1007 6149.353       243.9318 5774.242       284.2026 457.7382 9.086586 443.4723 10.92726 14.26596       14.21165 
1 1 1 1   16 9  o 403.2430 6.704532 4770.498       158.5572 4550.051       196.3962 5183.132       268.6972 393.7580 8.504586 420.0126 10.91739 -26.25458      13.83898 
1 1 1 1   16 10 o 387.2846 10.01102 4406.064       227.1930 4201.069       280.7955 4794.655       386.6031 377.9557 12.68571 403.4338 16.37366 -25.47815      20.71289 
1 1 1 1   16 11 f 238.9117 14.62408 1684.105       203.9251 0.000000       0.000000 1684.105       203.9251 ?        ?        238.9117 14.62408 0.000000       14.62408 
1 1 1 1   16 12 o 463.4347 8.713522 6303.684       236.8279 6333.206       373.9908 6283.920       305.9984 463.9998 13.75855 462.5649 11.27966 1.434906       17.79124 
1 1 1 1   16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 14 o 352.2677 7.727864 3641.811       159.6551 3368.783       240.8526 3855.813       213.2344 338.3871 12.15607 362.2302 10.04712 -23.84314      15.77069 
1 1 1 1   16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   16 16 o 133.9591 8.446587 528.9276       66.02177 580.1426       115.4548 504.0429       80.47858 139.6968 14.29335 130.5569 10.60182 9.139862       17.79602 
1 1 1 1   16 17 o 232.8652 6.784259 1592.844       92.55379 1496.847       133.6834 1681.219       128.2662 225.4880 10.13480 239.0790 9.164848 -13.59099      13.66413 
1 1 1 1   16 18 o 584.7740 8.031851 10041.27       275.4572 10010.81       319.0305 10130.49       546.0150 583.7487 9.318709 585.9898 15.90251 -2.241089      18.43172 
1 1 1 1   16 19 f 159.1983 6.540034 745.1923       60.93169 758.8964       64.50219 631.5890       185.7146 160.6363 6.862496 144.1985 22.71051 16.43779       23.72470 
1 1 1 1   16 20 o 291.5956 5.658977 2495.506       96.77640 2455.086       105.9197 2699.769       238.1065 289.1972 6.244997 302.3910 13.45989 -13.19376      14.83808 
1 1 1 1   16 21 f 315.3754 5.743395 2919.544       106.2300 2844.885       116.5600 3285.626       258.1057 311.2797 6.384813 333.5832 13.21915 -22.30347      14.68032 
1 1 1 1   16 22 o 317.8893 5.795195 2966.714       108.0424 2986.397       121.3697 2891.568       237.1517 318.8951 6.489510 312.8507 12.95326 6.044403       14.48795 
1 1 1 1   16 23 o 169.7625 7.047133 848.1368       70.00989 798.3660       75.17760 1173.273       192.1471 164.6281 7.808608 198.3048 16.67587 -33.67665      18.41356 
1 1 1 1   16 24 o 271.9015 6.388577 2171.598       101.8747 2171.598       101.8747 0.000000       0.000000 271.9015 6.388577 ?        ?        0.000000       6.388577 
1 1 1 1   16 25 o 119.3216 8.819203 421.2517       61.27999 405.8631       64.92638 546.8235       185.4674 117.0190 9.543303 132.7314 24.73539 -15.71246      26.51253 
1 1 1 1   16 26 o 214.6237 6.313077 1354.514       79.37745 1332.694       84.38335 1522.222       233.9418 212.8422 6.768634 225.4437 17.83903 -12.60152      19.07997 
1 1 1 1   16 27 o 272.8044 6.088341 2186.374       97.40939 2107.217       103.7190 2778.235       283.6098 267.7768 6.604423 305.4928 15.88415 -37.71597      17.20247 
1 1 1 1   16 28 o 230.2871 6.903342 1560.182       93.12985 1531.233       99.41011 1767.820       266.2381 228.0783 7.441798 242.7039 18.85209 -14.62563      20.26775 
1 1 1 1   16 29 o 160.6349 9.517499 762.6577       89.26112 722.4634       94.41833 1100.733       273.8300 156.2129 10.36458 189.2782 25.30087 -33.06526      27.34151 
1 1 1 1   16 30 o 468.6400 7.409060 6457.976       203.6352 6412.392       228.3807 6634.793       449.7953 466.8111 8.341950 472.2679 16.26390 -5.456757      18.27847 
1 1 1 1   16 31 o 299.9439 6.886443 2644.895       121.1394 2645.954       131.7757 2639.115       307.7785 299.9340 7.491336 296.9864 17.75161 2.947571       19.26758 
1 1 1 1   16 32 o 351.7817 6.988470 3639.457       144.1803 3662.074       159.4401 3537.976       337.7248 352.7618 7.706647 344.0674 16.78734 8.694458       18.47179 
1 1 1 1   16 33 o 239.1826 7.491314 1685.614       104.9548 1692.390       113.4306 1645.289       276.7140 239.5694 8.084831 232.7458 20.48077 6.823532       22.01878 
1 1 1 1   16 34 o 185.6403 9.146491 1019.419       99.27457 1054.962       106.1212 770.3318       280.9346 188.7708 9.617242 153.7231 32.19465 35.04765       33.60040 
1 1 1 1   16 35 o 112.1394 13.80432 379.9222       88.87324 381.8550       93.35847 361.2445       290.2153 112.2559 14.52042 107.6413 37.48732 4.614609       40.20126 
1 1 1 1   16 36 o 279.4424 7.685655 2304.016       125.8378 2282.264       135.1049 2446.452       345.7308 277.9780 8.296531 282.4607 21.02105 -4.482697      22.59905 
1 1 1 1   16 37 o 64.29096 21.30237 122.7112       93.58177 166.6199       97.81219 -352.2099      321.6833 72.84370 21.45216 63.80504 30.50000 9.038666       37.28868 
1 1 1 1   16 38 o 114.6049 14.25824 400.9305       93.76751 384.1473       99.45985 535.0902       281.2035 111.7173 15.60538 122.6927 36.43568 -10.97534      39.63694 
1 1 1 1   16 39 o 147.3029 11.16705 652.3118       95.75303 627.5399       101.3591 857.8518       291.9648 144.1553 12.10054 156.2128 32.90919 -12.05748      35.06334 
1 1 1 1   16 40 o 165.2298 10.27455 818.7695       99.07125 790.2913       104.3097 1081.130       316.6049 162.0415 11.04207 175.0468 32.01946 -13.00529      33.86995 
1 1 1 1   16 41 o 129.8973 12.89853 515.5790       96.96658 561.0174       102.0497 93.25137       311.1177 135.5059 13.00041 80.14425 35.00344 55.36163       37.33968 
1 1 1 1   16 42 o 128.2622 13.91247 508.2382       102.9794 549.3480       108.3669 125.3599       330.7149 133.3224 14.07137 82.18627 35.98760 51.13616       38.64079 
1 1 1 1   16 43 o 100.9080 18.34227 331.0547       104.5526 266.7229       110.3170 898.8174       327.7274 88.87280 21.41868 148.4563 37.60518 -59.58352      43.27712 
1 1 1 1   16 44 o 78.67441 21.85406 211.7550       104.4305 246.2820       110.0002 -103.5234      332.4002 84.75988 21.95470 68.88323 32.35090 15.87665       39.09718 
1 1 1 1   16 45 o 149.1355 12.95726 688.6659       112.2063 670.8109       117.5640 871.2740       375.9706 146.6419 13.83337 134.1406 42.56567 12.50131       44.75710 
1 1 1 1   16 46 f 207.3550 10.38022 1306.488       125.8312 1327.286       132.7803 1123.247       394.1249 208.6384 10.88917 152.9601 42.44305 55.67821       43.81765 
1 1 1 1   16 47 o 61.62444 23.41942 116.0379       116.8497 166.7781       123.7682 -300.1307      354.4604 69.45019 24.45930 61.73710 30.10772 7.713085       38.79087 
1 1 1 1   16 48 o 77.63387 23.66215 218.1406       117.4751 228.9135       121.9442 79.19615       437.9422 79.24156 24.09919 78.28222 36.87955 0.9593430      44.05533 
1 1 1 1   17 0  o 487.1070 9.446169 6964.028       269.8551 6839.527       363.0716 7117.698       403.3664 482.3787 12.84518 491.9897 13.99377 -9.610962      18.99537 
1 1 1 1   17 1  o 714.7291 12.60434 15003.79       528.3381 15173.83       752.2777 14838.28       742.1904 718.1873 17.86035 709.9832 17.83860 8.204102       25.24298 
1 1 1 1   17 2  o 467.8693 9.210689 6424.565       252.7360 7099.368       385.3679 5915.269       334.7904 491.4108 13.38397 448.5855 12.73847 42.82532       18.47699 
1 1 1 1   17 3  o 857.8353 14.77884 21627.09       743.5238 21627.09       743.5238 0.000000       0.000000 857.8353 14.77884 ?        ?        0.000000       14.77884 
1 1 1 1   17 4  o 585.0450 8.806315 10044.94       302.1580 9937.814       359.2641 10303.87       558.5566 581.8170 10.52875 591.7643 16.10913 -9.947327      19.24470 
1 1 1 1   17 5  o 398.2825 7.021869 4654.010       164.0191 4676.376       193.0193 4595.900       311.1269 399.1994 8.244423 395.2894 13.44015 3.909943       15.76731 
1 1 1 1   17 6  o 32.20387 15.07976 -72.73262      71.31635 -63.49457      76.51395 -133.8820      196.8549 34.67565 16.02575 57.28349 26.19011 -22.60784      30.70418 
1 1 1 1   17 7  o 409.6358 7.459064 4923.557       179.1978 5085.898       215.1770 4556.162       323.7043 416.2844 8.813637 393.5040 14.04903 22.78043       16.58479 
1 1 1 1   17 8  o 361.5383 7.333923 3835.209       155.5039 3780.118       179.0136 4004.605       313.9018 358.8951 8.504874 368.8287 14.54020 -9.933533      16.84489 
1 1 1 1   17 9  o 1132.637 14.42384 37708.37       958.1248 36793.93       1233.222 39100.89       1521.825 1117.887 18.81018 1151.386 22.53686 -33.49915      29.35529 
1 1 1 1   17 10 o 430.8444 7.202643 5446.664       181.9964 5271.099       227.0922 5761.879       304.2905 423.7638 9.137510 442.7553 11.72889 -18.99152      14.86812 
1 1 1 1   17 11 o 1357.472 20.59297 54322.52       1639.458 52756.89       2482.831 55532.92       2183.073 1332.927 31.76072 1369.835 27.17374 -36.90857      41.79899 
1 1 1 1   17 12 o 87.97687 22.92569 236.9678       119.4641 0.000000       0.000000 236.9678       119.4641 ?        ?        87.97687 22.92569 0.000000       22.92569 
1 1 1 1   17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17 14 o 383.9611 12.51205 4338.074       281.3753 4338.074       281.3753 0.000000       0.000000 383.9611 12.51205 ?        ?        0.000000       12.51205 
1 1 1 1   17 15 o 757.1901 11.96746 16853.93       531.4438 16237.29       798.3683 17344.57       712.1497 741.9766 18.34690 767.4258 15.82284 -25.44922      24.22748 
1 1 1 1   17 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17 17 o 91.02768 21.12871 255.0352       110.6197 172.1190       129.0746 484.4049       214.6788 77.22806 24.98477 124.9005 29.73678 -47.67249      38.83960 
1 1 1 1   17 18 o 328.8189 6.722437 3173.987       129.6385 3177.096       182.7054 3170.834       183.9743 328.6673 9.488537 328.3351 9.564283 0.3321838      13.47248 
1 1 1 1   17 19 o 299.3034 5.794483 2629.298       101.7131 2585.636       112.1768 2831.122       241.1807 296.7759 6.445013 309.6941 13.30988 -12.91818      14.78821 
1 1 1 1   17 20 o 367.4789 6.160946 3964.509       132.7793 4014.626       152.5118 3807.551       269.8973 369.7294 7.033459 359.2111 12.83207 10.51834       14.63323 
1 1 1 1   17 21 o 620.7825 8.418743 11328.04       306.5048 11386.32       360.8873 11177.18       580.6154 622.0901 9.891628 614.4421 16.12622 7.647949       18.91823 
1 1 1 1   17 22 o 466.4293 6.951432 6391.185       190.1563 6580.847       225.5629 5925.259       353.5376 473.1416 8.128793 447.7872 13.47746 25.35443       15.73910 
1 1 1 1   17 23 o 353.7563 6.035100 3675.174       125.2100 3651.203       140.9659 3764.783       272.5510 352.5279 6.818202 356.8324 13.04562 -4.304474      14.71992 
1 1 1 1   17 24 o 106.2466 9.706223 335.1570       59.81329 335.1570       59.81329 0.000000       0.000000 106.2466 9.706223 ?        ?        0.000000       9.706223 
1 1 1 1   17 25 o 222.1393 6.610920 1451.312       86.03086 1451.312       86.03086 0.000000       0.000000 222.1393 6.610920 ?        ?        0.000000       6.610920 
1 1 1 1   17 26 f 141.7907 8.173883 593.4470       67.68342 594.9836       70.96037 577.9532       225.3268 141.9292 8.564841 135.1438 29.27733 6.785416       30.50440 
1 1 1 1   17 27 o 287.0864 6.452345 2421.854       108.6377 2373.813       118.0093 2688.792       278.1731 284.1645 7.081023 300.5302 15.83844 -16.36566      17.34927 
1 1 1 1   17 28 o 105.4050 12.87686 333.2103       77.95084 308.8496       82.34881 543.1755       241.7609 101.1548 14.27755 130.3940 31.88408 -29.23920      34.93484 
1 1 1 1   17 29 o 214.8535 7.967082 1359.756       100.2165 1310.269       106.8722 1720.352       288.4888 210.8150 8.662414 238.8180 20.80480 -28.00298      22.53613 
1 1 1 1   17 30 o 439.9180 7.282158 5690.730       187.8808 5922.621       219.1153 5046.824       365.1259 448.6003 8.328420 412.1267 15.13210 36.47357       17.27261 
1 1 1 1   17 31 o 286.9774 6.873573 2421.603       115.6860 2379.078       125.7674 2655.406       294.8978 284.2672 7.550498 297.9980 16.94341 -13.73080      18.54964 
1 1 1 1   17 32 o 172.3559 9.502723 878.7780       95.68433 938.4166       102.8691 496.0226       260.6045 178.0623 9.889436 123.4138 34.61219 54.64853       35.99728 
1 1 1 1   17 33 o 488.8527 7.625161 7037.640       218.6138 7092.323       248.9201 6853.195       457.1561 490.4480 8.653992 478.5175 16.31367 11.93048       18.46693 
1 1 1 1   17 34 o 409.5135 7.247088 4938.414       174.0533 5010.136       195.0578 4658.161       385.5771 412.2692 8.067369 393.8226 16.73211 18.44653       18.57541 
1 1 1 1   17 35 o 246.7986 7.810723 1797.369       112.9113 1781.906       120.4181 1909.919       324.8746 245.6191 8.371716 248.8971 22.49861 -3.278000      24.00569 
1 1 1 1   17 36 o 220.0774 8.886694 1433.761       114.4649 1428.038       121.6380 1478.036       338.3272 219.4970 9.471381 215.2307 27.42498 4.266251       29.01442 
1 1 1 1   17 37 o 91.95136 17.63523 264.8078       91.64313 253.1379       96.84116 364.8422       283.5323 89.45725 19.04313 105.2640 37.02469 -15.80678      41.63494 
1 1 1 1   17 38 o 131.5361 12.16474 522.3287       92.77940 511.2834       97.67667 624.2664       296.7347 129.8645 12.99933 130.9198 37.00988 -1.055359      39.22644 
1 1 1 1   17 39 o 61.44157 24.65199 77.11555       135.3607 29.69377       151.8925 260.0838       298.3564 58.80064 25.05521 92.78890 36.80760 -33.98827      44.52598 
1 1 1 1   17 40 o 139.5745 12.63286 592.9699       102.2905 610.2552       107.8098 437.0035       323.8437 141.3958 13.15163 107.1846 39.33215 34.21112       41.47268 
1 1 1 1   17 41 o 43.30493 19.19042 -18.09274      96.70554 21.10880       100.8741 -463.2179      339.9139 48.57051 20.54567 59.34252 29.05586 -10.77200      35.58605 
1 1 1 1   17 42 o 232.6777 8.775877 1618.820       119.5409 1659.738       126.7471 1289.366       359.6499 235.3802 9.199300 184.1344 34.57318 51.24583       35.77614 
1 1 1 1   17 43 o 153.2931 12.34208 720.0353       110.0216 728.0936       115.6664 643.4667       356.5404 153.8290 12.94077 118.8178 41.53941 35.01123       43.50846 
1 1 1 1   17 44 o 55.64069 21.96880 75.87650       105.8274 46.03688       110.4347 411.2787       370.2471 52.42417 21.78941 97.76162 40.19339 -45.33745      45.71966 
1 1 1 1   17 45 o 184.0546 11.42767 1036.227       122.7460 1063.899       129.2698 782.6474       391.3268 186.1813 11.90119 123.2030 43.48320 62.97836       45.08244 
1 1 1 1   17 46 o 83.86367 22.69451 248.8492       114.3147 255.7090       119.5121 175.0867       391.9009 84.66370 23.32579 82.08542 37.30643 2.578278       43.99844 
1 1 1 1   17 47 o 98.23963 21.83135 338.2862       122.5179 342.6731       128.5382 294.7179       405.0764 98.19684 22.76392 86.58887 38.76425 11.60797       44.95401 
1 1 1 1   17 48 o 50.27244 21.97140 16.95458       122.7574 -11.03819      128.1005 331.6698       429.5234 48.56657 21.76644 87.89938 39.58722 -39.33281      45.17660 
1 1 1 1   18 0  o 282.7004 9.113164 2348.073       150.8962 2480.784       192.1114 2134.324       243.8096 290.4416 11.29986 268.9935 15.52053 21.44809       19.19827 
1 1 1 1   18 1  o 913.3441 15.81448 24527.90       847.1102 26286.27       1302.470 23238.82       1115.202 943.9752 23.52646 888.0236 21.41305 55.95166       31.81215 
1 1 1 1   18 2  o 742.8359 13.16928 16211.47       573.7271 16704.18       832.9606 15766.73       791.3806 753.0613 18.87496 731.6838 18.45688 21.37756       26.39925 
1 1 1 1   18 3  o 252.1348 9.135044 1868.313       134.8576 1820.679       166.6449 1958.704       229.5594 248.7354 11.45438 257.6730 15.25894 -8.937607      19.07978 
1 1 1 1   18 4  o 789.1839 11.36269 18289.25       525.9080 17433.88       596.6371 21268.95       1113.574 770.3157 13.20660 849.0165 22.38368 -78.70087      25.98929 
1 1 1 1   18 5  o 715.8399 10.47072 15044.77       439.5851 14788.35       520.6288 15681.50       820.4033 709.5272 12.51148 729.5266 19.19168 -19.99939      22.90978 
1 1 1 1   18 6  o 149.9001 10.97936 663.3373       95.85318 706.8348       104.8768 442.6977       236.2048 154.7007 11.64492 120.1787 32.66471 34.52203       34.67834 
1 1 1 1   18 7  o 430.7153 7.754785 5443.867       195.8892 5363.880       226.1131 5684.510       392.1964 427.4861 9.018893 439.4266 15.24139 -11.94046      17.70990 
1 1 1 1   18 8  o 470.6582 9.504781 6502.901       262.3604 6502.901       262.3604 0.000000       0.000000 470.6582 9.504781 ?        ?        0.000000       9.504781 
1 1 1 1   18 9  f 251.6242 10.46084 1862.385       154.0357 1754.627       186.8929 2090.627       271.9987 244.0011 13.10834 265.9250 17.53834 -21.92390      21.89570 
1 1 1 1   18 10 o 922.0686 11.92742 24978.15       645.0009 24304.07       824.4476 26041.67       1035.567 908.9626 15.46559 940.1937 18.78064 -31.23114      24.32894 
1 1 1 1   18 11 o 297.0870 9.482022 2593.982       164.9980 2683.169       211.2905 2454.593       264.1453 301.9590 11.95475 288.4105 15.67533 13.54843       19.71375 
1 1 1 1   18 12 o 136.5357 13.58341 553.5237       107.3279 662.2418       170.4991 482.1673       138.1300 148.5124 20.09007 126.4724 19.22734 22.03996       27.80830 
1 1 1 1   18 13 f 606.9527 9.948625 10820.13       354.1346 10559.83       545.3480 11009.92       465.6790 598.7119 15.54436 611.9063 12.97631 -13.19446      20.24874 
1 1 1 1   18 14 o 734.1890 11.47002 15844.27       493.8813 15372.72       756.2559 16194.93       652.1562 721.9569 17.86105 741.6431 14.99361 -19.68622      23.32006 
1 1 1 1   18 15 o 546.4509 9.168023 8771.100       293.8173 8347.548       439.6472 9112.950       394.9743 532.2993 14.09549 556.6509 12.09861 -24.35168      18.57577 
1 1 1 1   18 16 o 566.8628 12.02558 9452.940       399.7925 9697.309       515.1494 9082.876       633.9417 573.3685 15.33341 553.8692 19.54668 19.49927       24.84323 
1 1 1 1   18 17 o 183.0909 7.810400 986.2604       83.67424 919.4053       145.0118 1019.630       102.4500 176.0750 14.16221 186.0309 9.420902 -9.955887      17.00946 
1 1 1 1   18 18 o 362.0645 6.814477 3849.017       144.7001 3728.132       198.5638 3985.911       211.3036 355.9902 9.519223 368.0658 9.797547 -12.07559      13.66044 
1 1 1 1   18 19 o 357.5202 6.177323 3752.614       129.5244 3785.803       146.5239 3633.964       277.0439 359.0408 6.958476 350.7894 13.49156 8.251465       15.18033 
1 1 1 1   18 20 o 251.8059 6.361659 1863.088       93.87260 1863.088       93.87260 0.000000       0.000000 251.8059 6.361659 ?        ?        0.000000       6.361659 
1 1 1 1   18 21 o 144.2682 6.985045 612.8707       58.92476 589.4404       62.07011 826.6359       187.4830 141.4302 7.510166 165.5828 19.69142 -24.15257      21.07497 
1 1 1 1   18 22 o 402.0214 6.351836 4747.176       149.7611 4876.706       174.6868 4387.944       290.9123 407.3600 7.311917 385.3107 12.89177 22.04929       14.82099 
1 1 1 1   18 23 o 443.0701 6.796707 5768.508       176.6125 5613.341       197.4336 6389.970       395.1191 436.9419 7.704545 464.3982 14.52517 -27.45636      16.44204 
1 1 1 1   18 24 o 390.4449 6.420398 4479.129       147.0186 4336.676       161.3779 5174.432       356.5295 384.0935 7.164013 417.7107 14.57590 -33.61716      16.24131 
1 1 1 1   18 25 f 283.1204 6.751210 2355.846       112.0994 2355.846       112.0994 0.000000       0.000000 283.1204 6.751210 ?        ?        0.000000       6.751210 
1 1 1 1   18 26 o 133.6227 10.47432 529.6304       81.42797 529.6304       81.42797 0.000000       0.000000 133.6227 10.47432 ?        ?        0.000000       10.47432 
1 1 1 1   18 27 o 52.68175 19.09534 68.99751       75.99033 6.319059       79.57905 717.2905       255.9324 43.32161 18.28311 150.6915 30.01403 -107.3699      35.14419 
1 1 1 1   18 28 o 275.2778 7.302527 2229.497       117.7907 2242.913       127.4279 2150.734       308.7624 276.0302 7.879560 267.5511 19.81808 8.479065       21.32706 
1 1 1 1   18 29 o 63.38267 20.17010 118.3630       84.37053 119.0697       88.52959 111.3671       278.5377 63.89708 20.69347 85.98544 35.04960 -22.08837      40.70251 
1 1 1 1   18 30 o 275.4110 7.243078 2232.312       116.8901 2302.301       126.4530 1821.377       306.4095 279.6300 7.718102 245.1936 21.52626 34.43646       22.86807 
1 1 1 1   18 31 o 336.0453 7.098879 3321.753       139.9066 3323.306       154.1318 3314.489       333.4262 336.0122 7.821436 332.7737 17.14219 3.238525       18.84223 
1 1 1 1   18 32 o 71.83292 20.56263 159.7496       91.02927 180.4314       95.82859 -31.34928      291.2931 76.05334 20.86083 76.51403 33.63091 -0.4606934     39.57541 
1 1 1 1   18 33 o 234.8315 7.820193 1626.571       107.5519 1611.658       114.5120 1738.181       313.2733 233.6521 8.370142 237.7665 22.74267 -4.114334      24.23403 
1 1 1 1   18 34 o 146.8853 10.98668 642.5680       93.95878 608.6797       99.18996 938.6641       293.1967 142.7322 11.95922 170.3414 30.46720 -27.60919      32.73030 
1 1 1 1   18 35 o 166.5084 10.64332 824.9418       103.3913 861.7893       109.4148 517.6570       315.9674 170.1120 11.02648 123.2379 39.01112 46.87411       40.53949 
1 1 1 1   18 36 o 286.0704 7.531175 2416.272       126.2433 2363.455       134.8790 2789.570       358.5760 282.7611 8.141916 301.0397 20.43091 -18.27866      21.99348 
1 1 1 1   18 37 o 101.6154 15.65502 319.1991       90.30448 344.0070       95.68421 117.0082       273.1656 105.4624 15.96928 81.69477 34.13664 23.76759       37.68724 
1 1 1 1   18 38 o 52.05623 20.63421 53.41091       93.69764 30.44475       97.91473 302.9336       322.7444 49.67409 20.57031 98.03577 38.46939 -48.36168      43.62376 
1 1 1 1   18 39 o 135.4668 12.61078 558.0054       99.03942 527.6865       103.9778 854.6364       325.2308 131.2839 13.70617 150.4880 37.09150 -19.20415      39.54287 
1 1 1 1   18 40 o 69.34084 24.73773 147.0462       126.9534 127.2971       136.8768 268.6239       339.6118 67.36794 25.40480 93.39433 38.45635 -26.02639      46.09007 
1 1 1 1   18 41 o 222.3528 9.116988 1479.010       118.6376 1497.656       125.1407 1313.465       372.8759 223.5293 9.567961 186.0358 35.46996 37.49350       36.73777 
1 1 1 1   18 42 o 102.9752 17.93736 343.1043       104.3937 307.5210       109.6624 686.9532       340.8929 96.27934 20.07243 124.9243 40.61818 -28.64496      45.30716 
1 1 1 1   18 43 o 149.1163 12.76482 684.8007       110.5597 696.3203       116.4212 578.9637       352.8831 150.0292 13.37136 112.2026 41.07664 37.82661       43.19819 
1 1 1 1   18 44 o 76.61121 22.81318 204.2714       110.1209 209.6360       115.0283 145.3928       381.0781 77.39281 23.37847 81.96896 37.06751 -4.576141      43.82412 
1 1 1 1   18 45 o 58.42695 22.89503 92.59242       114.1826 69.99104       119.8771 313.6738       374.9252 56.17855 22.95805 89.18719 38.69532 -33.00863      44.99333 
1 1 1 1   18 46 o 103.9708 19.91018 366.4444       116.9857 285.5566       123.5368 1068.995       364.0774 89.28191 23.33658 151.1892 40.32129 -61.90725      46.58758 
1 1 1 1   18 47 o 110.6656 20.55395 419.8915       128.4911 352.8546       135.2375 1041.956       411.9627 98.89394 23.63902 137.6859 44.64325 -38.79200      50.51557 
1 1 1 1   18 48 o 82.85420 24.88431 256.2686       130.5968 261.1730       137.6685 212.1772       412.7833 83.14326 25.66659 81.53875 37.51793 1.604507       45.45733 
1 1 1 1   19 0  o 929.6309 16.15054 25419.00       880.5378 25949.28       1270.709 24929.15       1221.297 937.7932 23.10407 919.2848 22.65274 18.50836       32.35653 
1 1 1 1   19 1  o 629.8354 11.76283 11651.32       434.4995 12054.64       625.5868 11275.44       603.9353 639.9073 16.68363 618.8700 16.65465 21.03729       23.57373 
1 1 1 1   19 2  o 618.0450 9.472618 11212.90       343.3528 11250.48       416.4653 11133.16       606.6927 618.9276 11.47330 614.9168 16.83879 4.010742       20.37601 
1 1 1 1   19 3  o 638.4471 9.673922 11966.10       362.2247 12158.05       444.8670 11588.50       623.9437 643.3743 11.79006 627.3428 16.97420 16.03149       20.66710 
1 1 1 1   19 4  o 411.3602 6.874031 4964.920       165.8381 4592.406       203.8941 5693.036       285.0582 395.5558 8.789138 440.1555 11.05148 -44.59967      14.12035 
1 1 1 1   19 5  o 370.1913 7.507794 4021.366       163.0005 4038.875       187.0736 3966.165       332.1667 370.9563 8.598826 366.9066 15.47126 4.049652       17.70028 
1 1 1 1   19 6  o 130.0717 12.23721 501.4244       92.25359 518.1927       99.84092 403.5088       241.2624 132.1535 13.05213 115.3599 33.61433 16.79360       36.05941 
1 1 1 1   19 7  o 342.3647 7.192032 3439.461       144.4080 3420.336       164.1814 3504.821       303.5174 341.3772 8.200475 344.8871 15.04187 -3.509918      17.13201 
1 1 1 1   19 8  o 674.9274 9.996259 13375.73       395.6809 13710.90       493.4896 12772.34       662.1279 683.0939 12.31819 658.4489 17.16088 24.64496       21.12425 
1 1 1 1   19 9  o 1081.302 14.01291 34379.96       888.6404 35229.42       1216.363 33407.57       1301.397 1093.334 18.96966 1064.134 20.85274 29.20032       28.19016 
1 1 1 1   19 10 f 479.8513 7.357677 6757.470       207.0608 6839.382       269.3231 6639.066       323.8028 482.6201 9.515194 475.3430 11.61510 7.277130       15.01498 
1 1 1 1   19 11 o 188.8368 11.15431 1051.398       122.9819 905.0177       146.7978 1395.976       225.2279 174.7941 14.44893 216.9063 17.86333 -42.11221      22.97543 
1 1 1 1   19 12 o 292.0863 9.335351 2508.138       159.7108 2469.646       207.6645 2563.872       249.8794 289.5656 12.25598 294.7922 14.49767 -5.226593      18.98398 
1 1 1 1   19 13 o 209.7654 9.828626 1295.520       120.5779 1539.141       182.0323 1105.055       160.9526 228.2872 13.65862 193.2211 14.30487 35.06607       19.77845 
1 1 1 1   19 14 o 521.7776 14.30056 8023.871       437.1991 8023.871       437.1991 0.000000       0.000000 521.7776 14.30056 ?        ?        0.000000       14.30056 
1 1 1 1   19 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   19 16 o 268.0410 8.398021 2112.668       131.8538 2366.946       192.4488 1887.708       181.0148 283.3844 11.60402 252.9436 12.23857 30.44083       16.86523 
1 1 1 1   19 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   19 18 o 217.2115 7.173347 1387.283       91.25552 1406.903       152.2495 1376.281       114.0033 218.2244 11.94154 216.1779 9.011751 2.046509       14.96035 
1 1 1 1   19 19 o 332.0712 6.777647 3238.770       131.9960 3211.840       185.5548 3266.357       187.8066 330.2847 9.589439 333.0735 9.624449 -2.788727      13.58629 
1 1 1 1   19 20 o 221.8008 5.956276 1445.584       77.40968 1497.494       83.76073 1141.701       202.6611 225.7208 6.333559 195.3477 17.88767 30.37309       18.97585 
1 1 1 1   19 21 o 201.7699 6.023869 1196.645       71.20258 1197.852       76.81802 1189.280       189.7170 201.8326 6.498119 199.6485 16.34577 2.184113       17.59004 
1 1 1 1   19 22 f 305.4455 5.924013 2740.128       106.1207 2769.606       117.8482 2613.739       244.0212 307.0309 6.544708 296.9171 14.05323 10.11374       15.50246 
1 1 1 1   19 23 o 268.6639 6.006695 2120.247       94.64453 2114.480       103.5942 2149.360       232.7730 268.2519 6.584796 268.9355 14.81546 -0.6836548     16.21288 
1 1 1 1   19 24 o 118.5416 10.44216 417.4509       71.85452 417.4509       71.85452 0.000000       0.000000 118.5416 10.44216 ?        ?        0.000000       10.44216 
1 1 1 1   19 25 o 276.7618 9.622786 2259.268       155.9539 2259.268       155.9539 0.000000       0.000000 276.7618 9.622786 ?        ?        0.000000       9.622786 
1 1 1 1   19 26 o 369.9208 6.691474 4021.668       145.1714 3974.351       161.1630 4225.228       334.2743 367.6367 7.474735 377.1471 15.14348 -9.510315      16.88777 
1 1 1 1   19 27 o 262.7141 7.279636 2030.737       112.0533 2090.735       120.5386 1649.029       304.0338 266.5142 7.719924 233.2389 22.50563 33.27528       23.79287 
1 1 1 1   19 28 o 86.86736 17.84893 232.8034       87.88942 208.2224       91.98528 490.5287       297.8496 81.88056 19.44604 123.9621 37.65607 -42.08156      42.38076 
1 1 1 1   19 29 o 197.0035 8.778370 1145.097       101.1687 1130.795       107.1855 1261.867       306.2661 195.6836 9.366861 202.0953 26.47608 -6.411667      28.08418 
1 1 1 1   19 30 o 255.6037 7.760164 1924.545       116.1944 1902.771       124.5819 2070.113       322.1205 254.0578 8.372699 261.3850 21.19464 -7.327194      22.78848 
1 1 1 1   19 31 o 216.6540 8.216401 1384.726       104.2104 1442.339       111.8170 1003.966       287.4557 221.0519 8.641726 178.3398 28.43789 42.71213       29.72193 
1 1 1 1   19 32 o 201.6489 8.656184 1201.322       102.1316 1169.502       108.1394 1464.067       310.7415 198.8409 9.298910 217.2079 24.83960 -18.36700      26.52312 
1 1 1 1   19 33 o 162.4939 10.39438 784.2714       98.53780 750.8256       104.0990 1072.451       305.5674 158.8023 11.25019 182.9830 29.47489 -24.18074      31.54895 
1 1 1 1   19 34 o 291.9442 7.664072 2514.256       131.1095 2575.572       141.8134 2153.468       344.0011 295.3596 8.194749 264.2555 22.40761 31.10416       23.85906 
1 1 1 1   19 35 o 251.2623 8.151669 1865.954       119.9635 1848.532       127.5355 1999.739       353.4183 249.9454 8.713653 252.6849 24.14155 -2.739532      25.66597 
1 1 1 1   19 36 o 168.3495 10.05531 844.3575       98.82671 823.9337       104.7905 1008.624       297.1864 166.0887 10.81684 174.1864 30.18452 -8.097687      32.06414 
1 1 1 1   19 37 o 98.91194 17.16842 306.9647       95.98296 288.2724       100.3515 507.7448       328.8918 95.27157 18.62795 117.2384 39.94437 -21.96686      44.07440 
1 1 1 1   19 38 f 156.6252 11.09914 738.1659       101.2929 752.2466       106.1627 595.1636       338.3229 157.9577 11.53951 123.3043 40.48841 34.65334       42.10073 
1 1 1 1   19 39 o 144.7527 12.06995 635.6757       101.5350 624.6346       106.3143 750.2596       342.4905 143.1888 12.79463 136.7483 40.10712 6.440460       42.09850 
1 1 1 1   19 40 o 228.6993 8.919813 1561.857       119.4091 1519.796       126.1210 1925.781       370.9794 225.2895 9.567221 237.5906 27.10826 -12.30113      28.74699 
1 1 1 1   19 41 o 171.9326 10.91627 894.8667       109.5051 827.4352       114.2955 1649.087       382.2498 164.8147 11.90472 212.2454 31.67669 -47.43068      33.83985 
1 1 1 1   19 42 o 238.7398 8.919621 1707.886       124.6687 1790.882       132.7247 1085.801       363.3707 244.2639 9.281815 161.4624 38.84740 82.80151       39.94087 
1 1 1 1   19 43 o 61.74618 22.52086 116.8817       105.9274 128.7142       111.2500 2.025482       346.6087 63.98374 23.11662 73.95658 34.15471 -9.972839      41.24224 
1 1 1 1   19 44 o 38.21298 18.16434 -110.0725      110.8359 -109.8280      115.8490 -112.7151      380.8956 39.30571 18.65106 70.80164 33.66028 -31.49593      38.48216 
1 1 1 1   19 45 o 116.1389 17.43992 440.6934       115.1219 437.7873       120.8390 469.2449       378.7564 115.0095 18.54592 98.28165 40.55494 16.72788       44.59433 
1 1 1 1   19 46 o 45.45027 20.74259 -38.79804      122.7594 8.920491       130.8065 -391.2225      355.4831 50.88911 22.44565 59.05680 29.07531 -8.167690      36.73120 
1 1 1 1   19 47 o 176.3973 13.80742 978.6320       141.7043 822.1044       149.5854 2347.743       442.3982 159.5928 16.20630 242.7094 31.84728 -83.11659      35.73365 
1 1 1 1   20 0  o 871.5471 15.26945 22341.40       780.4852 22697.42       1113.633 21997.72       1094.170 877.1324 21.64842 863.2463 21.62927 13.88617       30.60195 
1 1 1 1   20 1  o 774.6696 13.74959 17640.76       624.6786 17729.35       876.9186 17549.49       890.0865 775.6968 19.27599 771.4250 19.68988 4.271729       27.55459 
1 1 1 1   20 2  o 411.6200 9.485766 4974.207       228.9915 5240.652       313.9012 4671.113       334.7934 422.1150 12.69420 398.3242 14.35491 23.79074       19.16262 
1 1 1 1   20 3  o 715.8672 10.49322 15049.35       440.5466 14578.80       510.3382 16425.47       872.7390 704.3891 12.35364 746.1988 19.96041 -41.80969      23.47404 
1 1 1 1   20 4  o 743.8312 10.81172 16249.88       471.6497 15984.12       558.3076 16912.24       881.4131 737.4779 12.90845 757.1751 19.86589 -19.69720      23.69138 
1 1 1 1   20 5  o 644.4337 9.591286 12193.38       362.4980 12126.80       433.3641 12348.51       661.4852 642.4947 11.50093 647.3491 17.43921 -4.854370      20.89013 
1 1 1 1   20 6  f 657.1785 9.742809 12681.38       375.5070 12607.37       449.4867 12852.38       683.2088 655.0648 11.69990 660.3568 17.65689 -5.291992      21.18144 
1 1 1 1   20 7  o 469.9312 7.790910 6481.516       214.7202 6363.465       248.8870 6825.122       424.6176 465.5555 9.115497 481.4069 15.05808 -15.85144      17.60221 
1 1 1 1   20 8  o 415.7328 9.444099 5075.171       230.2636 5296.232       315.8441 4824.381       336.4121 424.2637 12.70797 404.7321 14.19470 19.53165       19.05209 
1 1 1 1   20 9  o 174.5166 10.61685 898.0497       108.1491 851.3863       124.6658 1039.985       217.4221 169.7047 12.61597 186.6271 20.18541 -16.92241      23.80364 
1 1 1 1   20 10 o 252.0086 9.181623 1867.577       135.4749 1955.456       160.0255 1645.257       254.5291 257.7581 10.60854 235.4237 18.58538 22.33443       21.39994 
1 1 1 1   20 11 o 551.0911 7.931676 8916.486       256.3533 8605.402       319.7943 9475.794       428.8028 541.1912 10.07557 567.5496 12.88259 -26.35840      16.35476 
1 1 1 1   20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   20 13 o 422.6767 10.18328 5251.121       252.4332 5597.478       336.7512 4806.852       381.3904 435.8524 13.18922 403.3709 16.15452 32.48145       20.85483 
1 1 1 1   20 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   20 15 o 335.1094 7.492398 3298.017       147.2509 3284.155       227.7557 3307.973       193.0175 333.8447 11.65039 335.2891 9.826428 -1.444336      15.24107 
1 1 1 1   20 16 o 244.0566 7.398101 1751.081       105.7693 1725.160       172.4966 1766.699       133.8932 241.7115 12.20790 244.9600 9.337029 -3.248428      15.36922 
1 1 1 1   20 17 o 164.8189 8.245762 800.3497       79.45238 673.2195       136.6282 865.3080       97.66369 150.1060 15.75451 171.2377 9.765345 -21.13168      18.53555 
1 1 1 1   20 18 o 145.1482 8.374788 621.3911       70.98854 534.8632       129.2012 658.8085       84.96210 133.3444 16.90023 149.3194 9.755355 -15.97504      19.51371 
1 1 1 1   20 19 o 335.5197 7.345825 3307.973       144.5470 3351.836       230.9679 3279.732       185.3266 336.9978 11.70399 333.7205 9.478609 3.277313       15.06079 
1 1 1 1   20 20 o 184.5788 6.153624 1001.724       66.52054 986.4084       69.83733 1151.565       218.4459 183.1312 6.512785 195.7592 19.27687 -12.62802      20.34733 
1 1 1 1   20 21 o 107.9927 8.496399 345.2033       53.37901 345.2033       53.37901 0.000000       0.000000 107.9927 8.496399 ?        ?        0.000000       8.496399 
1 1 1 1   20 22 o 316.6100 6.045783 2944.619       112.2607 2966.465       125.0834 2854.155       254.5356 317.7177 6.712862 310.2157 14.02682 7.502014       15.55037 
1 1 1 1   20 23 o 331.8033 6.864687 3235.949       133.5833 3235.949       133.5833 0.000000       0.000000 331.8033 6.864687 ?        ?        0.000000       6.864687 
1 1 1 1   20 24 o 465.2025 9.068543 6372.383       247.4173 6372.383       247.4173 0.000000       0.000000 465.2025 9.068543 ?        ?        0.000000       9.068543 
1 1 1 1   20 25 o 246.7342 6.602434 1790.332       95.45387 1771.980       101.3730 1933.855       283.4933 245.4158 7.050500 253.7944 19.18844 -8.378632      20.44275 
1 1 1 1   20 26 o 406.3401 7.104418 4853.824       169.3046 4848.304       187.8947 4877.650       390.3791 405.9907 7.891289 404.8109 16.47754 1.179779       18.26970 
1 1 1 1   20 27 o 290.6552 7.416788 2485.800       126.3251 2464.991       135.6488 2621.748       346.7216 289.3541 8.001161 295.3456 20.13750 -5.991547      21.66881 
1 1 1 1   20 28 o 340.4320 6.955442 3407.319       138.8691 3419.173       151.8976 3346.977       342.7178 340.9381 7.596700 334.6490 17.52316 6.289093       19.09898 
1 1 1 1   20 29 o 53.12205 19.87537 64.80132       83.42385 104.0959       87.42330 -335.4243      279.0058 60.81775 20.59575 59.91482 28.57544 0.9029350      35.22415 
1 1 1 1   20 30 o 321.9478 7.287990 3050.079       137.6080 3043.217       149.6572 3087.618       350.0428 321.4810 7.937650 320.3012 18.71580 1.179749       20.32947 
1 1 1 1   20 31 o 206.6148 9.026065 1261.762       109.1092 1331.433       116.5921 770.6614       309.5476 212.1846 9.392521 152.5445 35.30037 59.64017       36.52856 
1 1 1 1   20 32 o 112.5481 14.87477 384.2547       95.78219 396.2482       100.8663 274.1993       305.5469 114.1710 15.46094 100.3530 37.93167 13.81805       40.96160 
1 1 1 1   20 33 o 54.40760 20.80420 64.72508       92.57048 89.04401       97.19451 -172.7688      303.7357 59.06293 21.56786 69.69621 32.11018 -10.63328      38.68122 
1 1 1 1   20 34 o 234.5699 8.542282 1627.270       117.3197 1564.184       125.3677 2071.841       332.8045 229.7856 9.322123 258.7824 22.14077 -28.99678      24.02324 
1 1 1 1   20 35 o 212.8214 8.850008 1342.415       110.2201 1286.733       117.5825 1745.744       316.4565 208.1413 9.658720 235.8709 23.17540 -27.72954      25.10757 
1 1 1 1   20 36 o 120.1478 14.21128 440.8192       98.20197 419.3109       102.7749 666.5054       332.9177 116.7480 15.38425 133.9546 39.61049 -17.20662      42.49313 
1 1 1 1   20 37 o 89.96157 18.59575 258.9080       94.86774 291.5685       98.96498 -111.2101      333.1505 95.71346 18.29694 72.82232 33.57872 22.89114       38.24014 
1 1 1 1   20 38 o 175.4996 10.45123 924.5938       107.0835 942.1550       112.6905 761.1795       343.7602 176.9815 10.91001 138.4676 40.05924 38.51390       41.51832 
1 1 1 1   20 39 o 63.04840 22.07509 120.1366       100.7147 150.7949       105.0714 -226.7258      353.4179 68.62683 22.56506 68.58443 32.55350 0.4239655E-01  39.60950 
1 1 1 1   20 40 o 183.8633 10.18880 1017.589       109.4377 960.6695       115.5783 1510.954       340.2752 178.1952 11.11470 207.4730 28.73577 -29.27785      30.81041 
1 1 1 1   20 41 o 194.2270 10.92512 1142.590       123.9459 1177.502       131.3916 860.4839       373.4996 196.8875 11.42798 138.3400 42.19693 58.54749       43.71704 
1 1 1 1   20 42 o 32.29867 15.87262 -192.3565      104.3807 -228.8416      109.1849 195.0842       355.8014 31.73442 15.71388 84.77184 37.21759 -53.03742      40.39894 
1 1 1 1   20 43 o 80.83185 22.64325 228.1839       111.6016 252.2355       116.9358 -17.54411      373.7683 84.80228 22.95522 74.30833 34.70635 10.49395       41.61097 
1 1 1 1   20 44 f 77.27869 23.24895 211.3668       113.9249 198.0314       118.7110 366.8134       405.3027 74.82571 23.93783 92.33038 40.14419 -17.50467      46.73945 
1 1 1 1   20 45 o 163.1539 12.90196 828.0867       122.4494 823.5268       128.5805 872.5090       401.3277 162.1564 13.64695 126.3580 44.07830 35.79843       46.14256 
1 1 1 1   20 46 o 133.9318 17.77157 590.6154       136.1501 594.3439       147.2907 568.7275       356.8684 132.9757 19.46273 103.9312 40.54871 29.04456       44.97773 
1 1 1 1   20 47 o 45.75743 21.07173 -49.63254      130.5935 -52.62064      137.6031 -22.52489      414.4538 46.72932 21.55901 72.90074 34.78516 -26.17142      40.92430 
1 1 1 1   21 0  o 373.2164 9.397635 4092.422       205.5343 4158.909       266.1352 3994.159       323.5402 376.0023 12.08441 368.1509 15.01634 7.851440       19.27495 
1 1 1 1   21 1  o 415.2456 7.580249 5060.568       184.6031 5142.862       219.1223 4859.336       342.6513 418.5396 8.926875 406.2030 14.40612 12.33664       16.94772 
1 1 1 1   21 2  o 428.9243 7.625427 5399.568       191.8206 5672.848       234.2045 4842.687       334.3280 439.5645 9.084940 405.5383 14.07828 34.02618       16.75512 
1 1 1 1   21 3  o 653.3766 9.704267 12536.31       371.8577 12177.58       432.3262 13556.41       729.0312 643.7797 11.45048 677.9466 18.35269 -34.16687      21.63180 
1 1 1 1   21 4  o 450.8943 7.738728 5967.280       204.6420 5909.098       237.6857 6133.982       402.3291 448.6147 9.033978 456.3096 15.05450 -7.694977      17.55707 
1 1 1 1   21 5  o 455.1656 7.687155 6080.999       205.2039 6064.915       239.5449 6125.343       397.7485 454.4836 8.987073 455.9818 14.89339 -1.498291      17.39484 
1 1 1 1   21 6  o 582.8979 8.900416 9976.717       304.2660 10174.83       373.6358 9586.693       524.2435 588.4682 10.82617 570.3739 15.68684 18.09430       19.05998 
1 1 1 1   21 7  o 609.4312 9.204285 10907.47       328.9768 11167.83       406.2025 10411.15       560.8289 616.4348 11.23582 594.2684 16.10637 22.16632       19.63820 
1 1 1 1   21 8  o 186.2266 8.146949 1020.171       88.76362 1042.854       97.08175 904.5612       219.1714 188.2392 8.818316 173.4919 22.03697 14.74738       23.73585 
1 1 1 1   21 9  o 406.2270 11.72661 4856.287       279.0852 4856.287       279.0852 0.000000       0.000000 406.2270 11.72661 ?        ?        0.000000       11.72661 
1 1 1 1   21 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   21 11 o 374.8607 9.151123 4128.431       201.1847 3871.719       232.8112 4885.434       399.7884 362.7060 10.95713 406.5293 16.80448 -43.82336      20.06114 
1 1 1 1   21 12 o 370.0695 9.173314 4024.183       199.0949 3842.328       238.8973 4437.679       360.2329 361.2460 11.28993 387.5059 15.88459 -26.25995      19.48802 
1 1 1 1   21 13 o 237.6813 10.29455 1664.315       143.1600 1502.315       173.4048 2011.089       253.7034 225.4473 13.17230 260.3975 16.70070 -34.95015      21.27023 
1 1 1 1   21 14 o 769.4995 12.16343 17437.71       548.9275 16349.56       790.6019 18450.55       762.7485 743.1703 18.13924 790.1351 16.45999 -46.96484      24.49414 
1 1 1 1   21 15 o 220.3647 6.848839 1427.459       88.40603 1331.210       119.6411 1543.219       131.2079 212.5394 9.623179 228.8512 9.798569 -16.31183      13.73381 
1 1 1 1   21 16 o 328.8774 7.376578 3177.609       142.2786 3124.611       218.6670 3216.520       187.3648 325.4930 11.47283 330.5224 9.676192 -5.029327      15.00848 
1 1 1 1   21 17 o 394.0626 7.789876 4563.790       180.0306 4530.198       280.1576 4587.419       234.9661 391.7841 12.20774 394.6422 10.16044 -2.858124      15.88281 
1 1 1 1   21 18 o 262.3955 7.408008 2024.985       113.8868 2091.009       180.1898 1981.066       146.9626 266.0803 11.57463 259.2589 9.682472 6.821350       15.09047 
1 1 1 1   21 19 o 179.2720 11.90360 952.1953       124.4441 884.2130       154.1880 1079.228       210.7706 172.1072 15.43958 189.4309 19.23837 -17.32367      24.66770 
1 1 1 1   21 20 o 276.4403 9.096585 2251.846       147.2782 2095.194       179.5682 2573.804       257.4316 266.2436 11.52736 294.3819 14.95982 -28.13831      18.88588 
1 1 1 1   21 21 o 766.2307 11.04011 17317.42       496.1162 17204.18       596.4215 17571.78       893.8334 762.7003 13.33364 766.5776 19.89836 -3.877319      23.95268 
1 1 1 1   21 22 o 467.9739 8.232042 6443.682       225.9330 6443.682       225.9330 0.000000       0.000000 467.9739 8.232042 ?        ?        0.000000       8.232042 
1 1 1 1   21 23 o 160.9211 7.032000 762.6957       66.20529 702.8702       68.89589 1484.074       239.2388 154.4063 7.631775 222.3208 18.51648 -67.91443      20.02758 
1 1 1 1   21 24 o 348.2904 7.413464 3566.957       151.4305 3566.957       151.4305 0.000000       0.000000 348.2904 7.413464 ?        ?        0.000000       7.413464 
1 1 1 1   21 25 o 412.6756 7.705583 5008.594       186.4940 4989.767       210.2116 5078.188       404.1589 411.7321 8.705453 412.9649 16.72198 -1.232819      18.85230 
1 1 1 1   21 26 o 290.9233 7.149221 2488.291       121.9798 2401.162       129.9489 3134.017       353.7658 285.6138 7.765083 323.5451 18.72362 -37.93137      20.26994 
1 1 1 1   21 27 o 168.7516 10.37373 842.9846       102.1714 870.1856       108.4074 626.7519       305.6521 171.3895 10.84065 138.7207 36.92129 32.66873       38.47988 
1 1 1 1   21 28 o 114.8749 13.97055 396.9447       92.18861 348.4792       96.51949 900.9324       311.2495 107.1258 15.83972 167.5961 32.84102 -60.47029      36.46134 
1 1 1 1   21 29 f 130.8753 11.66642 510.5944       88.60820 534.2274       92.19288 224.2976       320.8823 133.8558 11.86666 98.40134 38.43301 35.45444       40.22330 
1 1 1 1   21 30 o 250.2607 7.712798 1846.299       113.0671 1825.678       119.5538 2021.002       347.9885 248.7714 8.205538 256.4988 23.38991 -7.727448      24.78747 
1 1 1 1   21 31 o 289.4146 7.533111 2468.953       127.7544 2444.266       139.0584 2602.543       323.4854 287.8155 8.246706 293.2012 18.91304 -5.385712      20.63277 
1 1 1 1   21 32 f 35.33810 16.82833 -119.4553      96.00744 -130.6991      102.0123 -32.29669      284.0226 36.14692 17.25052 74.88139 33.04927 -38.73447      37.28048 
1 1 1 1   21 33 o 278.8001 8.054934 2295.401       131.5679 2338.189       143.5695 2071.099       328.7139 281.2212 8.715415 259.1037 21.83487 22.11749       23.50999 
1 1 1 1   21 34 o 160.2889 11.11872 767.1594       103.8744 751.8225       110.6537 880.9449       301.3985 158.4381 11.99763 161.7968 32.88523 -3.358643      35.00545 
1 1 1 1   21 35 o 112.5255 14.90354 388.2823       95.93771 395.3479       100.0341 307.2746       338.7177 113.3826 15.44472 101.0816 39.48470 12.30094       42.39789 
1 1 1 1   21 36 o 109.9997 15.40172 374.3970       96.64075 376.2256       100.6323 352.7090       346.5699 110.0263 16.06919 102.9781 40.02092 7.048225       43.12647 
1 1 1 1   21 37 o 163.5005 10.93440 804.0645       104.2463 797.0548       109.1533 876.8105       351.6350 162.5588 11.52393 150.3661 39.40543 12.19272       41.05592 
1 1 1 1   21 38 o 125.2143 14.37794 483.9273       103.6712 485.4120       108.7912 469.2577       341.9607 125.0775 15.13846 109.3602 40.36810 15.71735       43.11330 
1 1 1 1   21 39 o 80.70393 21.39853 217.4580       102.9150 165.9422       107.7509 753.0372       347.4263 71.12596 22.81133 134.0040 40.66176 -62.87802      46.62334 
1 1 1 1   21 40 o 35.86121 17.11557 -115.2957      100.4657 -154.6093      105.4611 270.4471       330.3467 34.64987 16.78794 90.12823 37.59115 -55.47836      41.16953 
1 1 1 1   21 41 o 94.53456 20.09487 298.2134       107.9748 290.3101       113.0809 379.8463       363.4261 92.61549 21.26808 97.03245 39.84974 -4.416954      45.17004 
1 1 1 1   21 42 o 84.09695 27.75973 258.6239       158.9609 260.7206       180.2344 251.2817       337.2745 84.08360 29.52392 86.51196 37.11045 -2.428360      47.42201 
1 1 1 1   21 43 o 64.20178 23.28120 132.2749       112.9737 171.8551       118.9159 -234.3345      361.9117 70.66772 24.01965 65.17117 31.45954 5.496552       39.58088 
1 1 1 1   21 44 o 98.85609 20.42836 333.4534       114.5185 314.5430       119.2725 556.5850       409.7036 94.98785 21.86371 102.9137 42.29293 -7.925865      47.61002 
1 1 1 1   21 45 o 107.9239 20.55967 399.4466       125.3817 429.4490       131.3964 94.06081       419.2083 111.8069 20.80389 78.26567 36.62016 33.54123       42.11696 
1 1 1 1   21 46 o 46.39256 21.27181 -44.04004      131.1101 -65.49800      137.5667 168.5907       433.0440 45.95164 21.32443 81.01180 37.67628 -35.06017      43.29242 
1 1 1 1   22 0  o 251.5630 7.256328 1859.024       106.9449 1716.955       127.4135 2197.754       196.7396 241.6311 9.006848 273.1187 12.31426 -31.48756      15.25662 
1 1 1 1   22 1  o 205.7756 8.103172 1245.067       97.59993 1263.659       115.3601 1198.242       183.0765 207.2024 9.518578 201.1012 15.64573 6.101151       18.31371 
1 1 1 1   22 2  o 271.3651 6.967314 2162.714       110.7926 2263.398       137.2335 1974.258       187.7515 277.5158 8.441648 258.8145 12.40540 18.70129       15.00518 
1 1 1 1   22 3  o 863.5177 12.27457 21927.08       621.6244 22746.64       793.0690 20621.37       1001.027 878.8041 15.38751 835.3436 20.43291 43.46051       25.57888 
1 1 1 1   22 4  o 227.8286 7.845756 1525.665       104.6755 1572.604       115.6236 1312.422       246.4425 231.2614 8.539634 209.7805 20.28360 21.48091       22.00794 
1 1 1 1   22 5  o 451.5473 7.657892 5985.870       202.7977 5998.103       237.6018 5953.047       389.2010 451.9120 8.964897 449.3621 14.78832 2.549896       17.29346 
1 1 1 1   22 6  o 487.0910 7.929971 6966.224       226.5334 7012.888       268.8506 6851.993       420.6431 488.5946 9.382354 482.0739 14.89605 6.520691       17.60457 
1 1 1 1   22 7  o 494.2557 7.937875 7173.086       230.0946 7140.754       271.3687 7255.791       434.0182 493.0092 9.385432 496.0323 14.93628 -3.023071      17.64026 
1 1 1 1   22 8  o 144.8758 9.496225 619.3486       80.24104 556.5406       85.77404 1059.598       227.0900 137.1707 10.74790 188.0441 20.94667 -50.87337      23.54316 
1 1 1 1   22 9  o 388.4255 9.190318 4433.016       209.3576 4838.155       291.1615 3999.318       301.2489 405.2895 12.26360 368.1952 13.97610 37.09427       18.59374 
1 1 1 1   22 10 o 240.4212 9.039268 1700.843       127.2279 1698.338       144.7194 1709.365       266.9643 240.1205 10.30050 239.5953 19.15821 0.5251312      21.75172 
1 1 1 1   22 11 o 188.9816 10.18712 1053.216       112.4899 1111.711       131.8147 896.4346       215.8010 194.0109 11.63826 172.4247 21.82887 21.58623       24.73760 
1 1 1 1   22 12 o 632.4711 8.658485 11755.54       321.1687 11233.61       398.2643 12726.17       543.1186 617.8630 10.99078 656.8922 14.09776 -39.02917      17.87580 
1 1 1 1   22 13 o 409.5138 9.718291 4932.134       233.4044 4746.015       284.2841 5317.076       408.8412 401.2099 12.09558 423.7163 16.48384 -22.50638      20.44554 
1 1 1 1   22 14 o 278.7824 6.430243 2282.210       105.1340 2084.957       129.7823 2658.750       179.3117 266.2084 8.322945 300.4162 10.19211 -34.20779      13.15867 
1 1 1 1   22 15 o 536.8453 7.688912 8469.271       242.0832 8331.366       313.2623 8673.725       381.4299 532.0570 10.03921 542.4592 11.98939 -10.40222      15.63750 
1 1 1 1   22 16 o 235.6698 6.578624 1632.631       90.83736 1696.290       122.0945 1553.708       135.9457 240.0093 8.688301 229.5105 10.12471 10.49875       13.34152 
1 1 1 1   22 17 f 433.1909 8.242462 5518.091       209.4049 5727.792       333.9304 5382.182       268.8312 440.2618 12.94692 427.2764 10.73654 12.98541       16.81951 
1 1 1 1   22 18 o 215.4143 7.508528 1365.742       94.71423 1447.174       159.3166 1321.229       117.7901 221.0757 12.33660 211.6328 9.514533 9.442902       15.57941 
1 1 1 1   22 19 o 435.6252 8.197322 5582.319       209.4284 5514.259       323.5884 5631.377       274.7268 431.8033 12.79192 437.0478 10.71819 -5.244507      16.68870 
1 1 1 1   22 20 o 127.1196 8.926890 478.0079       66.12923 409.9332       136.1340 499.0326       75.65504 115.3436 20.89345 129.7558 10.01925 -14.41216      23.17157 
1 1 1 1   22 21 o 296.6758 6.469141 2586.406       112.5587 2588.796       123.6073 2574.803       272.3719 296.7489 7.102386 294.0597 15.85203 2.689209       17.37040 
1 1 1 1   22 22 o 380.3302 7.062165 4252.417       157.5249 4256.284       180.4864 4240.054       322.7215 380.3536 8.091080 377.9558 14.58654 2.397827       16.68031 
1 1 1 1   22 23 o 267.2560 7.116221 2101.268       111.4399 2101.268       111.4399 0.000000       0.000000 267.2560 7.116221 ?        ?        0.000000       7.116221 
1 1 1 1   22 24 o 79.72365 15.63022 194.9808       70.46738 191.8640       73.23531 233.8922       258.7612 78.94944 16.35517 95.08348 35.11247 -16.13404      38.73471 
1 1 1 1   22 25 o 242.6710 7.515916 1733.458       106.8382 1733.345       113.4362 1734.345       317.8981 242.6039 7.983538 239.0072 22.96127 3.596664       24.30961 
1 1 1 1   22 26 o 110.4185 12.79498 365.3453       81.32563 351.9264       84.33292 543.4943       307.2770 108.1946 13.58953 129.5781 37.98535 -21.38354      40.34306 
1 1 1 1   22 27 o 458.7614 7.492810 6191.876       201.5961 6210.449       227.4204 6123.748       435.5723 459.2455 8.443723 453.1298 16.41745 6.115784       18.46155 
1 1 1 1   22 28 o 154.4585 10.64564 707.9421       95.84501 727.4937       100.7297 520.8923       311.5627 156.5171 11.04442 126.2426 38.54616 30.27452       40.09720 
1 1 1 1   22 29 o 224.1856 8.075311 1482.662       106.0004 1473.648       111.7176 1564.027       335.6522 223.4228 8.541697 224.2343 26.00494 -0.8114929     27.37184 
1 1 1 1   22 30 o 210.7071 8.344868 1311.076       102.9175 1299.153       108.5218 1417.647       324.4545 209.6546 8.845838 212.6531 26.59538 -2.998444      28.02789 
1 1 1 1   22 31 o 167.4758 9.983902 832.2949       97.61741 858.3376       102.4918 577.8716       320.3499 170.0153 10.32770 130.3991 38.92953 39.61627       40.27617 
1 1 1 1   22 32 o 224.9182 8.764926 1496.317       115.3961 1503.752       122.0882 1434.018       353.4013 225.3656 9.256800 211.3043 29.30515 14.06122       30.73240 
1 1 1 1   22 33 o 209.6340 9.502254 1303.706       116.5221 1375.208       123.3013 706.5770       356.3214 215.2408 9.793361 140.6070 40.81611 74.63383       41.97457 
1 1 1 1   22 34 o 237.4110 8.240267 1669.056       114.5602 1641.848       121.0868 1901.227       353.7166 235.3080 8.789695 244.0746 25.06640 -8.766617      26.56281 
1 1 1 1   22 35 o 53.73260 20.52415 67.73685       90.03222 42.82790       93.23112 412.1458       346.6733 50.53475 20.39481 108.4211 40.52627 -57.88637      45.36879 
1 1 1 1   22 36 o 166.9335 10.76007 836.9128       104.7828 791.6133       109.6810 1310.370       354.5887 162.0166 11.62024 193.0712 32.46629 -31.05461      34.48318 
1 1 1 1   22 37 o 138.4193 12.58429 583.3198       101.0433 594.8051       105.7226 462.1222       343.4344 139.5880 13.06609 109.0999 40.42185 30.48810       42.48116 
1 1 1 1   22 38 o 73.48661 21.86062 178.5471       101.1570 198.0917       105.5722 -40.56385      353.4822 77.09541 22.16814 75.90726 34.85030 1.188148       41.30339 
1 1 1 1   22 39 o 168.2317 11.37091 858.8337       111.5307 812.6091       117.5845 1273.388       352.1306 163.1133 12.38420 183.8640 33.90432 -20.75076      36.09531 
1 1 1 1   22 40 o 70.68334 22.40100 167.3504       104.1571 180.3283       110.1056 56.88418       321.2333 73.02456 23.01760 76.04924 34.24401 -3.024681      41.26091 
1 1 1 1   22 41 o 135.9972 13.94917 576.3452       109.6823 602.5292       114.7876 301.4732       371.9141 138.8756 14.29755 91.14331 39.03076 47.73232       41.56705 
1 1 1 1   22 42 o 132.0938 15.10827 552.1000       114.9407 552.2545       120.9826 550.6687       368.3186 131.5367 16.01241 106.3421 41.27723 25.19456       44.27423 
1 1 1 1   22 43 o 153.3383 16.14225 752.7593       142.9911 753.8270       154.7843 746.5431       373.4868 152.2227 17.66560 120.2323 42.47637 31.99034       46.00343 
1 1 1 1   22 44 o 110.3984 19.87406 412.6279       123.9453 370.2235       129.1710 905.1235       440.2109 102.8491 22.07528 123.8134 45.78397 -20.96432      50.82804 
1 1 1 1   22 45 o 130.1745 18.14962 561.1772       134.7997 556.8684       140.6296 609.9358       473.0722 128.8281 19.19839 101.0587 43.65609 27.76937       47.69101 
1 1 1 1   22 46 o 109.1270 22.15549 421.2944       136.9480 471.9712       143.7947 -73.16975      449.1648 115.8303 21.97118 72.78250 35.11224 43.04783       41.41983 
1 1 1 1   23 0  o 534.3422 10.56498 8392.831       331.0844 8600.001       459.9742 8170.102       476.9343 540.1232 14.53400 526.2551 15.46975 13.86810       21.22617 
1 1 1 1   23 1  o 385.1924 7.487939 4356.172       169.1572 4515.345       199.1862 3944.403       320.3706 392.0859 8.662188 365.5664 14.97463 26.51950       17.29951 
1 1 1 1   23 2  o 253.7108 7.093794 1891.109       105.4488 1938.928       128.8846 1794.287       183.3941 256.7912 8.569972 246.6009 12.72364 10.19029       15.34064 
1 1 1 1   23 3  o 263.3846 6.560307 2036.190       101.3363 2009.828       121.1003 2097.768       185.0845 261.4985 7.905411 266.7866 11.85884 -5.288116      14.25229 
1 1 1 1   23 4  o 173.5533 8.848979 887.1194       89.77196 914.3843       97.67734 738.8403       227.7882 176.1503 9.489999 155.5657 25.87561 20.58469       27.56098 
1 1 1 1   23 5  o 151.3620 9.585448 675.9495       84.65320 751.9734       91.14590 198.6458       228.3807 159.6605 9.780890 90.05576 33.03281 69.60471       34.45043 
1 1 1 1   23 6  o 317.4631 6.878998 2958.735       128.0764 3038.363       146.3580 2698.388       264.6416 321.6564 7.758429 302.1609 14.98047 19.49551       16.87033 
1 1 1 1   23 7  o 264.9572 6.738693 2062.302       104.6283 2010.188       114.7385 2319.531       254.9142 261.5303 7.488313 279.9605 15.58707 -18.43021      17.29253 
1 1 1 1   23 8  o 242.1272 8.346030 1724.354       118.3380 1683.116       138.3608 1836.710       228.3824 239.0632 9.889828 248.9650 15.72162 -9.901749      18.57359 
1 1 1 1   23 9  o 114.6988 10.82760 390.4622       71.97334 404.4582       77.51553 302.9525       193.8275 116.6698 11.47711 99.96667 30.37900 16.70309       32.47473 
1 1 1 1   23 10 o 388.1084 9.565556 4429.075       217.7277 4424.416       257.1576 4440.869       409.1720 387.5283 11.32691 386.8593 18.08448 0.6690063      21.33887 
1 1 1 1   23 11 o 246.7067 8.893816 1791.571       128.4720 1760.463       147.8046 1887.699       259.8239 244.3894 10.33562 251.8647 17.70256 -7.475281      20.49892 
1 1 1 1   23 12 o 299.4965 6.335399 2633.874       111.2798 2552.235       134.1094 2814.331       199.3877 294.6158 7.768403 308.9669 11.02128 -14.35110      13.48394 
1 1 1 1   23 13 o 275.7625 9.712395 2240.258       156.8316 2429.885       205.5109 1975.833       242.6814 286.8293 12.24507 257.8802 16.12677 28.94916       20.24881 
1 1 1 1   23 14 o 256.2789 7.150820 1931.202       107.3729 2006.338       126.2504 1734.788       204.1250 261.1039 8.254959 241.8447 14.45760 19.25922       16.64832 
1 1 1 1   23 15 o 517.5187 7.710977 7872.556       234.0378 8037.361       311.2032 7658.005       355.0785 522.4472 10.15667 509.5788 11.88126 12.86841       15.63081 
1 1 1 1   23 16 o 99.86018 11.07922 297.5031       63.79556 250.4726       98.58456 331.3863       83.67812 90.04804 19.25083 104.9766 13.93544 -14.92855      23.76533 
1 1 1 1   23 17 o 149.0338 9.045073 656.1298       78.68604 675.9452       146.3377 648.0706       93.32554 149.9302 16.93868 147.8752 10.83628 2.054947       20.10830 
1 1 1 1   23 18 o 403.1046 7.915226 4779.250       187.1249 4858.794       294.6080 4725.457       242.2718 405.3759 12.40645 400.2772 10.32891 5.098724       16.14331 
1 1 1 1   23 19 o 246.8621 7.642148 1793.897       110.5088 1661.143       181.1192 1872.627       139.4802 236.6506 13.10100 251.9728 9.455390 -15.32224      16.15675 
1 1 1 1   23 20 o 339.4120 7.720082 3388.280       153.6737 3483.353       244.0667 3325.832       197.8067 343.1728 12.14592 335.7710 10.05627 7.401825       15.76870 
1 1 1 1   23 21 f 460.3622 10.22133 6247.503       275.9672 6442.203       376.2184 6020.715       406.0383 466.2862 13.77251 450.1767 15.40187 16.10956       20.66155 
1 1 1 1   23 22 o 152.6436 8.142982 687.4437       72.63367 687.4437       72.63367 0.000000       0.000000 152.6436 8.142982 ?        ?        0.000000       8.142982 
1 1 1 1   23 23 o 232.1667 7.350672 1586.423       99.96083 1595.799       107.0451 1522.534       279.4209 232.7923 7.851803 224.3394 21.50031 8.452942       22.88917 
1 1 1 1   23 24 o 423.2022 7.717284 5267.879       191.5415 5147.116       213.6225 5763.116       432.5987 418.1494 8.710941 439.8538 16.80062 -21.70447      18.92463 
1 1 1 1   23 25 o 156.5784 9.335049 724.8325       85.33420 694.5449       89.33223 1040.665       288.4720 153.1670 9.999387 182.8132 27.77876 -29.64613      29.52367 
1 1 1 1   23 26 o 493.9348 7.799746 7179.801       225.9439 7104.417       252.5421 7482.181       505.7932 491.1038 8.768192 500.4799 17.25783 -9.376129      19.35752 
1 1 1 1   23 27 o 79.28680 17.71535 195.2035       80.29799 195.2205       83.15330 194.9690       309.0748 79.21648 18.27101 95.04084 37.53807 -15.82436      41.74849 
1 1 1 1   23 28 o 41.03902 18.18793 -26.69126      86.88517 -41.78664      89.97482 181.8526       334.4240 40.27395 18.13003 95.68526 38.62314 -55.41131      42.66668 
1 1 1 1   23 29 o 356.1969 7.731392 3737.973       161.5096 3805.604       180.8632 3471.731       358.8540 359.2091 8.585240 339.2977 18.09925 19.91141       20.03221 
1 1 1 1   23 30 o 303.8410 7.329210 2719.419       130.6033 2695.013       139.6033 2890.607       369.7266 302.2669 7.881796 307.8957 20.59353 -5.628815      22.05031 
1 1 1 1   23 31 o 160.5970 10.50619 767.1497       98.41059 811.1104       102.8061 285.7794       340.1938 165.1160 10.67363 102.7038 39.72324 62.41221       41.13226 
1 1 1 1   23 32 o 140.0271 12.20862 588.1329       99.25888 552.2776       103.6273 986.7123       345.5059 135.3965 13.21832 170.0587 35.77753 -34.66216      38.14125 
1 1 1 1   23 33 f 65.89949 20.57238 134.2031       88.16672 158.3397       91.43937 -184.9976      332.5272 70.82185 20.71034 71.27193 33.10180 -0.4500809     39.04674 
1 1 1 1   23 34 o 44.28933 19.16745 -3.134015      91.52628 14.23832       95.19476 -215.5906      332.9041 47.20071 19.96222 69.05352 32.41333 -21.85281      38.06723 
1 1 1 1   23 35 o 168.4479 10.50270 850.7875       103.2407 831.2993       107.9962 1057.567       351.7836 166.2725 11.13910 169.7537 36.42584 -3.481262      38.09096 
1 1 1 1   23 36 o 81.23526 20.62868 216.6454       98.44666 191.1403       102.8653 494.5330       339.5389 76.20818 21.87244 112.3522 40.41176 -36.14404      45.95121 
1 1 1 1   23 37 f 142.0825 12.38244 614.7160       102.1508 618.6550       106.8045 572.4482       349.8656 142.3013 12.93899 117.7007 41.14875 24.60068       43.13511 
1 1 1 1   23 38 o 89.96035 20.35413 268.2530       104.8700 256.4753       109.9371 387.2550       349.4550 87.39863 21.57900 100.1386 39.79887 -12.73993      45.27255 
1 1 1 1   23 39 f 140.6221 13.59453 611.5851       110.7198 624.5637       117.0810 501.7898       340.5369 141.7466 14.27826 107.5742 40.17478 34.17249       42.63663 
1 1 1 1   23 40 o 98.98047 18.67661 321.9471       104.4432 322.4555       108.3045 315.1962       394.6653 98.65392 19.41064 92.79641 39.97927 5.857506       44.44226 
1 1 1 1   23 41 o 154.9472 12.84874 742.3408       115.7112 788.4781       121.2865 274.8291       386.0846 159.5728 13.07449 88.71453 38.86393 70.85831       41.00424 
1 1 1 1   23 42 f 53.45384 22.07522 55.80698       112.3465 55.27949       117.8782 61.03480       371.0977 54.16138 22.51164 76.43349 35.31353 -22.27211      41.87863 
1 1 1 1   23 43 o 110.8136 18.92410 409.6490       118.5746 373.6422       124.5762 756.5612       386.6814 104.2277 21.10456 118.7254 43.06914 -14.49776      47.96200 
1 1 1 1   23 44 o 100.6865 22.70535 360.1938       130.8669 409.4142       135.5855 -310.2594      500.4093 107.9985 22.15033 70.41791 34.63495 37.58061       41.11225 
1 1 1 1   23 45 o 61.27903 24.45272 107.4994       132.4385 96.28818       136.8792 271.9267       524.2003 60.34593 24.58080 86.14417 40.51033 -25.79824      47.38462 
1 1 1 1   24 0  o 250.0380 7.564266 1837.702       110.7959 1851.089       122.9888 1780.048       255.2272 250.8807 8.370598 244.7221 17.90688 6.158554       19.76672 
1 1 1 1   24 1  o 201.6297 7.554317 1195.592       89.17263 1135.623       105.3475 1347.154       167.4763 196.3631 9.173092 213.4162 13.44899 -17.05312      16.27946 
1 1 1 1   24 2  o 237.0129 6.847797 1650.679       95.08627 1620.907       114.2781 1717.672       171.4239 234.7483 8.313738 241.2522 12.15489 -6.503906      14.72615 
1 1 1 1   24 3  o 270.5365 7.182608 2150.691       113.8608 2158.963       126.9163 2116.576       257.7430 270.9893 7.994473 267.1845 16.52939 3.804840       18.36116 
1 1 1 1   24 4  o 147.5927 9.658031 643.1334       83.14027 651.2180       89.27175 590.2709       228.2752 148.4509 10.31792 137.8018 29.15688 10.64906       30.92868 
1 1 1 1   24 5  o 90.84914 20.51002 254.4509       106.6818 333.8378       126.0259 53.74030       200.3873 104.1834 21.34408 71.84768 29.55756 32.33572       36.45845 
1 1 1 1   24 6  o 357.0828 6.901991 3744.236       144.5419 3799.214       167.7907 3586.052       284.6118 359.6125 7.955775 348.4359 13.95594 11.17667       16.06433 
1 1 1 1   24 7  o 138.9910 9.923560 571.0553       80.35965 571.0553       80.35965 0.000000       0.000000 138.9910 9.923560 ?        ?        0.000000       9.923560 
1 1 1 1   24 8  o 122.5311 10.75108 445.2418       76.47683 445.2418       76.47683 0.000000       0.000000 122.5311 10.75108 ?        ?        0.000000       10.75108 
1 1 1 1   24 9  o 332.9207 10.39448 3265.011       202.7037 3265.011       202.7037 0.000000       0.000000 332.9207 10.39448 ?        ?        0.000000       10.39448 
1 1 1 1   24 10 o 445.5223 7.044575 5830.633       184.0665 5906.812       233.2220 5704.806       299.7369 448.1947 8.872627 439.8777 11.62890 8.316925       14.62720 
1 1 1 1   24 11 o 123.6094 13.77325 456.6364       98.15364 512.1328       109.7199 234.2624       219.6319 130.8598 14.54174 92.57892 32.58457 38.28088       35.68216 
1 1 1 1   24 12 o 230.4524 9.275954 1565.009       125.1129 1552.597       143.7330 1603.823       254.1649 229.3471 10.71556 231.5440 18.88055 -2.196884      21.70941 
1 1 1 1   24 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   24 14 f 569.3072 8.105005 9530.753       270.6141 9841.279       365.1937 9152.591       403.0066 577.8890 10.77528 556.8755 12.33967 21.01343       16.38212 
1 1 1 1   24 15 o 91.58720 15.60652 255.3958       80.82572 128.9401       133.4201 328.7097       101.5886 70.55209 25.33777 103.8427 17.28843 -33.29065      30.67397 
1 1 1 1   24 16 o 109.5083 11.46227 357.6336       72.52604 540.5370       109.3612 214.0367       96.90025 134.4251 14.08045 83.01843 20.11574 51.40671       24.55407 
1 1 1 1   24 17 o 322.0406 6.460649 3047.386       122.0218 3037.456       160.2053 3061.105       188.3115 321.1632 8.513020 322.1581 9.978865 -0.9949341     13.11675 
1 1 1 1   24 18 o 326.4810 6.691220 3132.674       128.1191 3031.599       168.5331 3271.061       197.2011 320.7599 8.967697 332.9829 10.10974 -12.22299      13.51394 
1 1 1 1   24 19 o 195.2625 8.290939 1123.946       94.72910 1164.319       170.2616 1105.845       114.0034 197.6315 14.79702 193.4367 10.08395 4.194839       17.90636 
1 1 1 1   24 20 o 385.8155 8.124603 4379.516       183.8368 4371.939       281.6628 4385.139       242.6471 384.4082 12.51022 385.4366 10.74473 -1.028412      16.49105 
1 1 1 1   24 21 o 96.21703 11.57647 277.1475       64.01412 108.5999       173.7108 303.6328       68.86024 72.96653 28.34039 100.7187 11.88626 -27.75219      30.73208 
1 1 1 1   24 22 o 203.3950 7.284245 1217.874       86.75079 1193.139       90.43399 1503.104       307.0997 201.2727 7.675256 222.0694 23.95856 -20.79675      25.15794 
1 1 1 1   24 23 o 63.46612 17.03643 123.9790       64.73498 112.4342       66.45226 338.7280       286.6045 60.79442 17.62023 107.4464 37.26300 -46.65194      41.21898 
1 1 1 1   24 24 o 198.8882 8.019770 1165.895       93.35333 1165.895       93.35333 0.000000       0.000000 198.8882 8.019770 ?        ?        0.000000       8.019770 
1 1 1 1   24 25 o 133.7091 10.75077 531.1902       83.59451 522.7907       86.86832 636.3672       307.3949 132.5531 11.28141 139.2289 37.01263 -6.675766      38.69373 
1 1 1 1   24 26 o 126.6265 11.00047 477.3506       80.88346 455.3595       83.47958 814.5125       326.8702 123.5368 11.66009 157.3682 36.17479 -33.83144      38.00755 
1 1 1 1   24 27 o 151.2987 9.789223 678.7010       86.39655 690.5868       89.84377 532.6690       314.9181 152.5701 10.09760 126.7452 38.76354 25.82488       40.05713 
1 1 1 1   24 28 o 173.0327 9.124146 886.1183       92.26422 848.6367       96.18087 1318.418       326.6420 169.2151 9.732738 204.2992 27.99751 -35.08408      29.64097 
1 1 1 1   24 29 o 90.48148 17.09381 253.5039       87.38535 277.3796       90.65635 -59.55981      328.2739 94.79015 16.92862 78.73863 35.09719 16.05152       38.96654 
1 1 1 1   24 30 o 113.5016 14.49592 390.8635       94.29429 459.0460       99.11279 -259.6538      306.1418 123.2806 13.95334 65.92036 30.98686 57.36024       33.98354 
1 1 1 1   24 31 o 232.9783 8.188730 1604.643       111.7138 1607.954       118.4341 1577.924       336.4226 233.1030 8.678352 222.9729 26.22764 10.13008       27.62613 
1 1 1 1   24 32 o 196.0682 8.839052 1140.116       101.3784 1182.921       106.2391 704.1935       339.0363 199.6561 9.096910 139.6692 39.58623 59.98691       40.61802 
1 1 1 1   24 33 o 141.4957 11.48576 601.9057       94.49443 612.5445       98.47382 478.1967       335.7960 142.6272 11.88026 114.9378 40.30341 27.68937       42.01791 
1 1 1 1   24 34 o 86.37442 18.78357 239.4996       92.43448 189.2608       95.79879 917.3200       351.8827 76.30458 20.82845 155.8688 38.67796 -79.56421      43.92959 
1 1 1 1   24 35 o 67.77948 21.92078 145.9182       99.36278 158.4611       103.6856 4.834700       347.7421 70.22426 22.36146 78.86314 35.55954 -8.638878      42.00614 
1 1 1 1   24 36 o 143.0363 12.99116 624.8520       107.7919 597.2558       113.0968 898.4833       356.1302 139.3616 14.02814 149.7527 39.85182 -10.39114      42.24874 
1 1 1 1   24 37 o 172.1365 11.19328 896.5633       112.3877 931.4786       118.6050 589.4805       351.7411 175.2690 11.60378 117.4803 41.24503 57.78876       42.84623 
1 1 1 1   24 38 o 42.87560 19.27896 -29.70319      101.4094 -11.05345      106.6049 -207.1661      328.8475 45.79218 20.22748 65.25953 31.09616 -19.46735      37.09612 
1 1 1 1   24 39 o 78.68017 22.01783 211.7492       105.5795 257.2868       111.2327 -202.3902      335.4444 86.75317 21.87144 65.47662 31.25694 21.27655       38.14913 
1 1 1 1   24 40 o 69.80238 23.12315 165.0534       110.2647 113.0348       114.8606 776.3248       393.7395 61.79963 23.27931 124.2752 43.63739 -62.47555      49.45855 
1 1 1 1   24 41 f 78.16664 22.82944 214.7561       111.1701 239.3285       116.2917 -45.92690      378.7747 82.27322 23.13815 72.89841 34.32920 9.374809       41.39890 
1 1 1 1   24 42 o 48.41870 21.06297 13.04302       111.6992 49.57958       116.7564 -381.5177      383.6843 53.21643 22.28291 62.19725 30.53879 -8.980827      37.80405 
1 1 1 1   24 43 o 65.82780 24.13677 144.4452       121.9164 186.2010       128.3105 -243.4622      391.0820 72.23405 24.93845 65.73820 31.96105 6.495857       40.53931 
1 1 1 1   24 44 o 51.43879 22.48537 19.95696       128.6206 56.20882       132.7408 -536.9626      520.2781 55.61482 23.54899 66.74776 33.25975 -11.13295      40.75250 
1 1 1 1   25 0  o 179.3732 8.452084 947.6843       88.66425 925.8011       102.2002 1014.272       178.2761 177.1406 9.876572 184.4481 16.65984 -7.307480      19.36742 
1 1 1 1   25 1  o 263.7805 7.394693 2045.465       114.2838 2120.487       128.7649 1767.072       248.0467 268.5032 8.186633 243.7050 17.47067 24.79820       19.29366 
1 1 1 1   25 2  o 383.6946 7.361029 4324.534       165.6436 4180.167       184.1147 4937.667       379.4310 377.1454 8.323946 408.4136 15.87119 -31.26822      17.92158 
1 1 1 1   25 3  o 53.25212 22.62840 3.610858       123.3006 -65.76798      139.7437 247.4725       261.9935 50.31393 22.62683 97.72987 35.45169 -47.41594      42.05706 
1 1 1 1   25 4  o 394.7029 7.402566 4576.608       171.3575 4618.516       197.1923 4447.368       346.2920 396.3943 8.482269 387.6645 15.26108 8.729828       17.45994 
1 1 1 1   25 5  o 95.22578 14.55310 273.8192       78.69967 244.9261       82.97557 532.6809       248.3635 89.62049 16.39055 129.9888 32.63164 -40.36828      36.51677 
1 1 1 1   25 6  o 371.4987 7.130261 4054.174       155.3507 4000.292       175.5813 4248.404       333.3636 368.9256 8.115005 378.8525 15.03352 -9.926880      17.08391 
1 1 1 1   25 7  o 189.4077 8.034437 1056.316       89.04634 1092.983       95.70208 819.8712       243.0239 192.6274 8.492225 163.3044 26.26518 29.32301       27.60394 
1 1 1 1   25 8  o 592.6210 8.985953 10329.35       312.3142 10214.47       368.2325 10623.81       589.5328 588.9582 10.66074 598.5513 16.81072 -9.593140      19.90607 
1 1 1 1   25 9  o 206.6332 7.495321 1256.382       90.68193 1294.607       99.03639 1058.064       225.5806 209.7004 8.067814 187.2930 20.89198 22.40741       22.39564 
1 1 1 1   25 10 o 324.8391 10.45724 3110.911       198.9618 3110.911       198.9618 0.000000       0.000000 324.8391 10.45724 ?        ?        0.000000       10.45724 
1 1 1 1   25 11 o 95.52409 13.46185 274.7607       73.32801 242.8410       82.53742 394.3289       159.7459 89.14464 16.39103 112.4281 24.88568 -23.28345      29.79871 
1 1 1 1   25 12 o 229.1369 9.193213 1547.701       123.2907 1545.243       143.0750 1554.790       242.9932 228.7437 10.69469 227.9072 18.33424 0.8365021      21.22547 
1 1 1 1   25 13 f 281.1909 6.562779 2323.141       108.2280 2227.350       128.3034 2559.435       201.5121 275.0914 7.961002 294.2895 11.69882 -19.19809      14.15062 
1 1 1 1   25 14 o 286.9832 8.059213 2424.434       135.5094 2114.725       192.2695 2730.114       191.0151 267.3097 12.29731 304.1106 10.72671 -36.80090      16.31828 
1 1 1 1   25 15 o 228.9992 6.792325 1542.569       91.12189 1515.131       114.4928 1589.979       150.4998 226.7343 8.625875 231.8981 11.09815 -5.163742      14.05613 
1 1 1 1   25 16 o 458.6905 7.217427 6185.833       194.1568 6281.875       254.7560 6052.747       299.8905 461.8157 9.406006 452.8724 11.29110 8.943329       14.69564 
1 1 1 1   25 17 f 67.05515 15.94353 138.8358       61.77700 65.58462       99.58617 184.6571       78.76353 56.20800 21.55672 77.23501 17.75972 -21.02701      27.93027 
1 1 1 1   25 18 o 334.7673 6.710872 3293.813       131.7566 3282.438       172.5270 3309.729       204.0882 333.7968 8.820744 334.8805 10.40411 -1.083740      13.64005 
1 1 1 1   25 19 o 106.4952 10.52559 337.6274       64.88084 251.3300       121.2015 372.2897       76.81357 89.70642 22.94749 111.6573 11.91391 -21.95085      25.85592 
1 1 1 1   25 20 o 306.8531 8.340503 2772.735       149.9582 2512.574       220.4674 2996.729       204.5697 291.2192 12.94076 318.5355 10.96683 -27.31628      16.96275 
1 1 1 1   25 21 o 287.5280 11.68211 2444.934       196.5834 2248.657       236.3229 2885.839       354.1965 275.0385 14.70426 310.1369 19.57317 -35.09839      24.48110 
1 1 1 1   25 22 o 43.16778 15.99041 43.22141       53.73898 43.22141       53.73898 0.000000       0.000000 43.16778 15.99041 ?        ?        0.000000       15.99041 
1 1 1 1   25 23 o 170.1034 8.195127 853.6223       81.51540 853.6223       81.51540 0.000000       0.000000 170.1034 8.195127 ?        ?        0.000000       8.195127 
1 1 1 1   25 24 o 59.80449 17.82634 108.3283       67.21294 77.53163       68.91017 710.5193       304.7185 53.16869 18.27923 147.3726 35.64827 -94.20393      40.06157 
1 1 1 1   25 25 o 121.5532 11.16703 440.4064       78.71874 467.4256       81.41619 52.80075       308.3680 125.2499 11.20178 84.26644 35.79552 40.98344       37.50732 
1 1 1 1   25 26 o 102.2713 13.41651 315.8499       78.53305 296.7134       80.95437 621.4742       323.5220 98.85767 14.38468 136.0339 38.70812 -37.17619      41.29453 
1 1 1 1   25 27 o 40.72415 17.73660 -11.80156      79.40168 9.969626       81.82051 -363.7762      328.9855 44.15657 18.58173 65.24696 31.09368 -21.09039      36.22289 
1 1 1 1   25 28 o 304.0611 7.712337 2726.453       137.4190 2809.302       149.1771 2262.181       353.1382 308.5237 8.251884 271.2446 22.39844 37.27908       23.87014 
1 1 1 1   25 29 o 112.0740 13.80894 380.0891       88.84741 379.3152       92.38300 389.6231       324.2577 111.8029 14.42510 110.9755 39.54117 0.8274384      42.09023 
1 1 1 1   25 30 o 213.3018 8.549080 1346.341       106.7293 1310.096       111.7757 1720.782       359.2621 210.2833 9.084854 232.5633 26.83159 -22.27998      28.32788 
1 1 1 1   25 31 o 243.9838 8.004869 1760.751       114.3872 1793.784       121.1093 1487.718       348.1866 246.1571 8.401397 213.8448 28.46941 32.31227       29.68317 
1 1 1 1   25 32 o 127.8543 12.21941 493.6541       90.51201 515.8626       94.97157 273.6988       298.8828 130.6203 12.55177 95.77512 37.18125 34.84521       39.24273 
1 1 1 1   25 33 o 197.0173 8.970947 1155.641       103.3837 1098.621       109.1625 1651.816       322.0182 191.8282 9.734926 225.2459 24.78575 -33.41769      26.62897 
1 1 1 1   25 34 o 199.1879 9.086690 1183.419       105.8702 1148.516       111.7311 1490.165       331.2328 195.9717 9.752071 210.2449 27.52345 -14.27316      29.20005 
1 1 1 1   25 35 o 46.67972 19.94014 11.59241       96.63227 47.04744       101.3167 -345.4447      321.5132 52.04602 21.16733 61.17604 29.56064 -9.130016      36.35777 
1 1 1 1   25 36 f 80.58262 21.51001 217.0537       103.5538 260.2791       109.3161 -160.8369      323.2193 88.32044 21.34386 67.54597 31.77860 20.77447       38.28106 
1 1 1 1   25 37 o 190.2131 10.51012 1092.632       116.7904 1098.438       124.2453 1048.559       342.3128 190.3597 11.17816 162.3986 36.79589 27.96114       38.45632 
1 1 1 1   25 38 o 67.86582 22.36188 152.1670       103.1676 109.8884       108.3414 563.3754       337.8824 61.18244 22.69690 112.3311 40.32433 -51.14864      46.27311 
1 1 1 1   25 39 o 79.59003 21.77646 217.8279       104.5753 249.3658       108.5259 -191.8507      391.1456 85.20713 21.67068 69.84243 33.45218 15.36470       39.85808 
1 1 1 1   25 40 o 194.4419 10.50610 1148.658       119.3620 1115.310       124.7278 1511.418       411.3752 191.1562 11.17435 188.0120 38.60174 3.144180       40.18657 
1 1 1 1   25 41 o 84.97517 21.91307 252.8487       109.9122 227.1510       114.2585 571.4807       402.3329 79.96542 23.08325 104.4163 42.28570 -24.45087      48.17589 
1 1 1 1   25 42 o 45.54506 20.34740 -13.20416      110.9900 -26.04962      115.1615 154.5319       416.1459 45.16313 20.40462 80.93205 37.39322 -35.76892      42.59813 
1 1 1 1   25 43 o 110.0188 20.63346 416.2745       128.2447 387.2863       134.1095 726.1302       438.4588 104.5451 22.53725 109.3737 44.19735 -4.828659      49.61183 
1 1 1 1   25 44 o 68.03484 25.11320 160.7044       132.3428 140.6934       136.4995 474.3407       540.3927 65.52320 25.20981 92.28857 42.63001 -26.76537      49.52628 
1 1 1 1   26 0  o 271.3411 9.602314 2169.035       152.5657 2151.448       178.1993 2217.317       295.2556 270.0002 11.27843 272.6406 18.57629 -2.640350      21.73205 
1 1 1 1   26 1  o 364.8133 8.123491 3912.210       173.8056 3988.094       263.3510 3853.650       231.3442 367.5667 12.23359 361.5541 10.92278 6.012604       16.40024 
1 1 1 1   26 2  o 477.1082 7.171914 6687.836       200.6793 6807.316       268.1095 6535.617       302.6208 481.0035 9.504154 471.0473 10.95428 9.956207       14.50259 
1 1 1 1   26 3  o 228.0037 7.366045 1529.112       98.36859 1624.727       118.9733 1322.513       174.8842 234.8974 8.650943 211.1018 14.20840 23.79556       16.63482 
1 1 1 1   26 4  o 398.0601 7.624022 4656.714       177.9849 4659.078       202.6574 4648.742       372.2039 398.0305 8.681517 395.9001 16.06377 2.130402       18.25962 
1 1 1 1   26 5  o 529.6421 8.565195 8249.381       266.0543 8682.245       329.6918 7441.182       450.4963 543.0046 10.35271 501.2300 15.34318 41.77466       18.50924 
1 1 1 1   26 6  o 203.1107 8.114288 1214.804       96.46255 1158.469       104.1030 1556.881       256.5275 198.2432 8.977242 227.9424 19.37263 -29.69917      21.35157 
1 1 1 1   26 7  o 167.3806 8.632248 826.2091       84.45203 805.2815       89.58095 993.4264       253.2193 165.1676 9.285227 180.3204 24.58381 -15.15280      26.27887 
1 1 1 1   26 8  o 159.0614 9.063732 746.8474       84.20177 766.7933       89.65766 597.7631       245.1187 161.1227 9.530697 137.4661 31.12975 23.65662       32.55603 
1 1 1 1   26 9  o 279.8841 10.06439 2310.090       164.9334 2310.090       164.9334 0.000000       0.000000 279.8841 10.06439 ?        ?        0.000000       10.06439 
1 1 1 1   26 10 o 285.7108 7.655500 2401.748       128.1620 2401.748       128.1620 0.000000       0.000000 285.7108 7.655500 ?        ?        0.000000       7.655500 
1 1 1 1   26 11 o 338.5245 9.177502 3376.192       182.0389 3312.948       211.1588 3559.232       359.2308 335.0440 10.76020 345.4000 17.79373 -10.35596      20.79420 
1 1 1 1   26 12 o 160.5954 8.716307 761.2612       81.78719 704.3000       94.47936 931.5723       163.3688 154.2161 10.50895 176.4657 15.95779 -22.24959      19.10731 
1 1 1 1   26 13 o 112.8432 11.72504 379.8791       76.46620 364.1837       87.95374 428.4672       154.7509 110.0674 13.93726 117.3926 23.29956 -7.325203      27.14989 
1 1 1 1   26 14 o 148.4170 10.54115 652.7725       91.15627 569.2887       97.31500 1250.411       260.3742 138.3033 12.12004 202.8549 22.25051 -64.55165      25.33734 
1 1 1 1   26 15 o 287.2026 8.524447 2429.838       143.4248 2467.610       216.6235 2400.356       191.3806 288.6031 12.83043 284.9271 11.47633 3.675934       17.21412 
1 1 1 1   26 16 f 395.4658 6.875488 4597.104       159.4641 4733.429       206.0950 4393.742       251.7183 400.9854 8.763717 385.7090 11.13934 15.27640       14.17348 
1 1 1 1   26 17 o 147.0221 9.288683 639.1238       79.68223 462.3812       114.1837 806.8978       111.2490 123.7608 16.11377 164.9253 11.57510 -41.16443      19.84027 
1 1 1 1   26 18 o 87.29181 14.35421 231.4898       70.93373 26.09188       120.9531 339.1656       87.57460 55.02586 22.83133 106.0466 14.45698 -51.02072      27.02358 
1 1 1 1   26 19 o 254.1939 7.283896 1901.336       108.4754 1951.147       152.7474 1850.656       154.0760 257.0883 10.15069 250.3076 10.51912 6.780716       14.61809 
1 1 1 1   26 20 o 274.8679 7.614294 2223.784       122.6269 2143.140       173.5997 2304.097       173.2420 269.2821 11.01562 279.3076 10.59517 -10.02548      15.28403 
1 1 1 1   26 21 o 85.10036 12.42545 218.5175       60.18613 229.9277       138.6614 215.8688       66.80754 86.29159 25.57545 84.26678 14.00992 2.024803       29.16129 
1 1 1 1   26 22 o 45.52521 16.19043 53.37857       54.33951 38.86768       55.19098 512.8157       310.5517 42.54279 16.11197 125.9330 38.48977 -83.39026      41.72598 
1 1 1 1   26 23 o 221.9326 7.180782 1450.443       93.34074 1413.344       97.36101 1872.030       328.2098 219.0184 7.591211 247.7352 22.84706 -28.71687      24.07519 
1 1 1 1   26 24 o 239.1768 7.467204 1685.483       104.6153 1658.488       109.8660 1947.819       342.4947 237.1832 7.909280 252.0907 23.43410 -14.90752      24.73285 
1 1 1 1   26 25 o 294.4515 7.702904 2555.451       132.9063 2596.387       142.4863 2281.375       368.6884 296.7024 8.196301 272.5713 23.28653 24.13113       24.68687 
1 1 1 1   26 26 o 138.5349 10.29193 570.6122       83.02194 554.6906       85.65246 817.9460       337.5885 136.4848 10.78820 155.7237 37.42938 -19.23883      38.95309 
1 1 1 1   26 27 o 322.6602 7.538365 3067.725       142.6504 3062.073       153.4150 3103.810       387.6580 322.1360 8.126900 318.8662 20.84381 3.269775       22.37210 
1 1 1 1   26 28 o 177.2629 9.223822 931.1360       95.56145 910.0765       99.02229 1216.715       364.6465 175.1492 9.677557 191.8914 33.62661 -16.74222      34.99148 
1 1 1 1   26 29 o 222.8632 8.389503 1469.148       109.4584 1468.839       116.0116 1471.660       330.3542 222.7194 8.899550 214.8667 26.79642 7.852707       28.23562 
1 1 1 1   26 30 o 57.86231 20.26260 93.70118       84.85732 71.20467       87.84540 407.6094       328.1428 54.31479 20.38003 110.4350 39.72708 -56.12022      44.64960 
1 1 1 1   26 31 o 35.27588 16.39525 -66.75956      81.79846 -12.24648      84.79384 -797.7047      310.4962 41.63855 18.22782 49.27629 24.72169 -7.637741      30.71507 
1 1 1 1   26 32 o 166.1846 9.635530 824.8207       93.50839 843.3526       97.54037 614.4620       328.6276 167.9476 9.947403 126.5414 39.74911 41.40623       40.97490 
1 1 1 1   26 33 o 189.5891 9.314505 1073.153       103.2505 1086.568       107.8888 927.1151       355.9619 190.6373 9.681493 154.7888 39.18195 35.84842       40.36033 
1 1 1 1   26 34 o 163.8010 10.79249 808.2220       103.1008 822.4385       107.6331 650.0014       359.0718 165.0810 11.18328 125.1007 41.73558 39.98029       43.20792 
1 1 1 1   26 35 o 101.3747 17.98449 329.9983       103.0094 347.0404       107.2776 128.5271       368.8540 103.8771 18.27621 85.11067 37.60901 18.76639       41.81456 
1 1 1 1   26 36 o 132.0919 14.46104 542.7778       110.1992 536.2755       114.9340 616.8547       387.9341 130.8740 15.26023 116.3393 42.98687 14.53477       45.61520 
1 1 1 1   26 37 o 294.3309 8.521106 2589.932       146.9349 2580.358       157.3448 2655.189       410.7864 293.3521 9.156826 277.9343 25.48473 15.41785       27.07986 
1 1 1 1   26 38 f 203.7579 9.636157 1251.260       114.8250 1254.703       120.4007 1216.639       381.7465 203.7644 10.10666 169.1595 39.24087 34.60490       40.52148 
1 1 1 1   26 39 o 39.49249 18.44699 -75.88213      105.6324 -82.76714      109.9556 6.544584       380.4518 39.92657 18.70515 75.44760 35.16435 -35.52103      39.82981 
1 1 1 1   26 40 o 75.73743 22.97474 202.3890       110.9266 243.0061       115.2596 -307.5635      408.4020 82.76865 22.94707 66.15234 32.27335 16.61630       39.59971 
1 1 1 1   26 41 o 79.85815 23.12115 228.0235       114.4761 189.9127       118.5445 754.8474       440.7478 73.11548 23.96426 113.3762 44.81196 -40.26071      50.81729 
1 1 1 1   26 42 o 41.92207 19.65566 -82.90072      121.8251 -67.28942      126.2649 -293.2485      463.4811 43.85422 20.37799 68.69518 33.69572 -24.84097      39.37848 
1 1 1 1   26 43 o 122.6706 20.65047 517.0406       143.2949 482.3313       148.3893 996.6586       551.6037 116.8640 22.46660 115.5309 48.40834 1.333046       53.36774 
1 1 1 1   27 0  f 428.5448 7.863204 5399.299       197.6270 5354.911       222.9640 5561.984       426.8485 426.6228 8.911281 432.6309 16.85534 -6.008087      19.06602 
1 1 1 1   27 1  o 302.0766 6.768861 2680.956       119.9177 2629.788       145.4794 2789.417       211.8074 298.9205 8.306472 307.3078 11.77392 -8.387299      14.40912 
1 1 1 1   27 2  o 216.3990 7.512891 1378.110       95.20366 1234.016       108.7468 1850.943       196.9920 204.5841 9.086127 249.9248 13.48967 -45.34071      16.26434 
1 1 1 1   27 3  o 240.3796 7.172748 1699.615       101.0061 1815.335       120.4291 1425.115       185.4801 248.3108 8.281203 219.0025 14.52306 29.30829       16.71818 
1 1 1 1   27 4  o 60.71367 20.22305 104.3873       84.31287 126.3032       88.91320 -91.11145      265.5577 65.44515 20.69145 70.43668 31.47030 -4.991524      37.66319 
1 1 1 1   27 5  f 370.7660 7.519659 4041.120       163.5116 4108.595       184.5419 3794.657       352.6934 373.7307 8.419491 357.1072 16.88809 16.62350       18.87049 
1 1 1 1   27 6  o 166.1898 9.395229 815.6841       91.19897 835.9778       98.02357 684.9796       248.7686 168.1748 9.983381 147.5117 29.78262 20.66310       31.41134 
1 1 1 1   27 7  o 72.07588 18.56502 160.5610       78.95400 197.1237       83.14480 -174.9526      251.8669 79.83411 18.16806 63.48134 29.24448 16.35277       34.42844 
1 1 1 1   27 8  o 71.97992 21.37242 157.5352       96.76103 157.5352       96.76103 0.000000       0.000000 71.97992 21.37242 ?        ?        0.000000       21.37242 
1 1 1 1   27 9  o 327.8988 7.787156 3162.065       149.7508 3162.065       149.7508 0.000000       0.000000 327.8988 7.787156 ?        ?        0.000000       7.787156 
1 1 1 1   27 10 o 148.7349 12.78616 658.6027       110.4516 658.6027       110.4516 0.000000       0.000000 148.7349 12.78616 ?        ?        0.000000       12.78616 
1 1 1 1   27 11 o 59.22160 21.13250 90.91280       92.65122 72.56439       100.1802 199.4028       243.6000 57.38657 21.71327 90.28587 33.92500 -32.89930      40.27868 
1 1 1 1   27 12 o 79.23755 17.30457 193.9711       78.15822 197.9391       83.18934 164.1109       228.2069 79.94682 18.15780 85.19587 32.64282 -5.249054      37.35317 
1 1 1 1   27 13 o 139.7598 10.05776 578.6649       81.88789 547.0056       94.02670 678.0825       166.6218 135.5722 11.94792 149.4417 19.47397 -13.86958      22.84706 
1 1 1 1   27 14 o 214.7481 7.686292 1358.121       96.64863 1355.307       115.1967 1364.812       177.6139 214.3294 9.185782 214.1771 14.22067 0.1523285      16.92945 
1 1 1 1   27 15 o 247.7892 7.240592 1806.794       105.1092 1889.736       130.1794 1651.448       178.1576 253.2116 8.779414 235.9691 12.92290 17.24255       15.62304 
1 1 1 1   27 16 o 427.6570 7.307805 5377.496       183.2876 5406.093       233.8107 5331.906       295.2115 428.4352 9.305265 424.7466 11.86256 3.688568       15.07674 
1 1 1 1   27 17 o 164.9825 9.582479 804.5206       92.31944 672.9760       126.2314 955.7910       135.3655 150.0187 14.52900 179.3276 12.95834 -29.30887      19.46819 
1 1 1 1   27 18 o 342.6306 7.074707 3451.307       142.1625 3568.083       185.5354 3285.259       221.2412 347.9710 9.099257 333.4326 11.33023 14.53839       14.53171 
1 1 1 1   27 19 o 215.0425 7.794503 1362.146       98.13957 1344.656       142.7039 1377.841       135.1820 213.0997 11.46049 215.8514 10.71205 -2.751770      15.68728 
1 1 1 1   27 20 o 427.6115 7.331053 5377.970       183.8511 5206.767       231.1309 5672.914       303.3695 420.3515 9.375511 437.9800 11.82127 -17.62854      15.08783 
1 1 1 1   27 21 o 273.5584 7.306008 2203.000       117.1094 2332.601       165.1996 2072.079       166.0389 281.0155 10.03984 264.7007 10.71774 16.31476       14.68565 
1 1 1 1   27 22 o 197.7568 11.75993 1160.944       135.7754 991.9449       148.0968 2051.670       339.9975 182.2707 13.96034 259.4162 22.57195 -77.14548      26.54024 
1 1 1 1   27 23 o 183.1605 7.639987 989.5225       81.88799 952.9032       85.02168 1458.999       304.4258 179.6694 8.089476 217.3702 24.29480 -37.70087      25.60619 
1 1 1 1   27 24 o 214.4344 7.616943 1356.049       95.63909 1285.810       99.31920 2251.514       354.6236 208.7170 8.129356 271.0580 22.51066 -62.34100      23.93358 
1 1 1 1   27 25 o 50.15334 18.22040 63.31222       69.23901 61.30086       70.73344 109.4089       338.6224 50.02427 18.37778 90.28393 37.88549 -40.25966      42.10764 
1 1 1 1   27 26 o 100.7916 13.21490 307.3117       76.23603 303.0653       78.19227 389.0052       342.9649 99.96951 13.69633 112.0566 40.57398 -12.08714      42.82333 
1 1 1 1   27 27 o 239.8728 7.946253 1699.167       111.6334 1655.755       116.5939 2177.016       386.8300 236.6849 8.412909 263.5947 25.33423 -26.90976      26.69457 
1 1 1 1   27 28 o 356.9131 7.772848 3759.349       162.7021 3642.675       174.3061 4549.148       453.5049 351.1236 8.464513 385.2308 20.14290 -34.10718      21.84912 
1 1 1 1   27 29 o 180.7745 8.857812 969.6680       93.62455 987.0928       96.76440 714.1637       370.5352 182.3419 9.077081 139.1982 41.93988 43.14368       42.91092 
1 1 1 1   27 30 o 138.7138 10.74110 576.7935       86.70104 576.1873       89.51710 585.9755       348.4055 138.5356 11.11087 125.0805 41.08812 13.45513       42.56390 
1 1 1 1   27 31 o 141.7786 11.24066 605.2391       92.70147 563.7463       96.19236 1145.984       347.2563 136.5045 12.14211 179.4803 34.23903 -42.97583      36.32825 
1 1 1 1   27 32 o 107.5873 14.79038 358.6694       90.85628 343.2957       94.30142 557.6172       339.2335 104.8185 15.83329 118.8002 40.56558 -13.98176      43.54606 
1 1 1 1   27 33 o 194.7529 9.235717 1133.469       105.1879 1140.481       110.2105 1061.753       352.4562 195.1853 9.657751 167.1049 36.94656 28.08038       38.18796 
1 1 1 1   27 34 o 68.86238 21.28017 154.8227       94.60522 141.3169       98.13880 332.3040       355.7607 66.44033 21.80593 97.24559 39.62194 -30.80526      45.22607 
1 1 1 1   27 35 o 106.7226 16.55993 362.4167       100.2919 348.6737       104.1081 539.6342       373.8497 104.0889 17.68631 110.8519 41.94471 -6.762985      45.52104 
1 1 1 1   27 36 o 58.08896 21.70711 95.26796       99.44739 78.74460       102.7960 336.5637       392.8273 55.97818 21.78460 95.07523 40.39466 -39.09704      45.89442 
1 1 1 1   27 37 o 91.49349 19.41071 278.7363       100.9253 255.8884       104.7066 578.0418       378.9731 86.86087 20.82444 110.2719 42.11145 -23.41103      46.97906 
1 1 1 1   27 38 o 47.95054 20.70082 14.92387       106.2350 29.15837       110.9810 -140.9075      367.2022 50.35157 21.43462 69.12260 32.91518 -18.77104      39.27916 
1 1 1 1   27 39 o 47.94677 20.91775 9.195050       110.8386 -15.01740      115.2576 306.9118       404.1588 46.39070 20.72936 89.05599 39.35937 -42.66529      44.48446 
1 1 1 1   27 40 f 163.3499 13.22590 831.9843       125.6225 828.2159       131.1859 873.6089       435.9935 162.4786 13.90044 122.8483 45.53902 39.63026       47.61329 
1 1 1 1   27 41 o 170.0380 15.21872 922.1919       150.1630 991.7174       158.0899 280.5978       480.2444 176.1443 15.45996 86.54975 40.05253 89.59451       42.93269 
1 1 1 1   27 42 o 66.23218 25.94468 140.0944       146.5848 95.45753       153.1647 626.3831       505.5442 61.75886 25.66438 100.1457 44.15059 -38.38682      51.06795 
1 1 1 1   28 0  o 502.6250 10.51677 7447.174       310.0109 7731.000       417.7987 7099.463       462.4347 510.9104 13.95657 488.7559 16.15493 22.15454       21.34872 
1 1 1 1   28 1  o 137.5083 13.55550 564.5939       107.8988 577.6013       131.4069 537.6754       189.0379 138.5125 16.50029 131.3310 25.46248 7.181549       30.34135 
1 1 1 1   28 2  o 342.6738 6.699230 3450.754       134.6345 3506.754       167.8339 3349.669       225.4918 345.2468 8.288951 336.7376 11.43455 8.509186       14.12288 
1 1 1 1   28 3  o 152.3110 10.80562 687.4697       95.89645 701.4116       101.2669 566.3846       298.4363 153.7796 11.30747 132.5641 36.98903 21.21556       38.67877 
1 1 1 1   28 4  o 213.4476 8.557528 1342.865       106.9076 1413.145       115.0244 896.9575       289.7323 218.9149 8.978147 168.9046 30.36476 50.01035       31.66427 
1 1 1 1   28 5  o 476.4442 8.184662 6678.289       228.6985 6925.782       273.2813 6099.876       417.7790 484.8926 9.609787 453.0872 15.74617 31.80542       18.44695 
1 1 1 1   28 6  o 278.2959 7.657347 2279.363       124.8598 2358.605       137.2363 1898.524       300.8593 283.0098 8.277207 251.0390 20.61636 31.97078       22.21591 
1 1 1 1   28 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   28 8  o 174.8559 9.013107 902.6158       92.11646 893.9982       97.68965 971.7432       276.6808 173.9365 9.613905 176.8060 27.58280 -2.869476      29.21024 
1 1 1 1   28 9  o 575.9705 8.876917 9767.047       299.8561 9386.303       339.9920 11100.10       636.1754 564.2490 10.27418 610.0951 17.79891 -45.84607      20.55140 
1 1 1 1   28 10 f 283.1046 7.221662 2358.050       119.8064 2317.955       131.1724 2559.797       294.2382 280.5831 7.979429 292.7599 17.21304 -12.17673      18.97261 
1 1 1 1   28 11 o 62.62470 19.15373 117.6079       76.88691 101.1387       83.99906 202.6941       190.9269 59.95278 20.18856 85.85944 30.36652 -25.90665      36.46510 
1 1 1 1   28 12 f 93.44407 16.09362 266.5136       85.01518 257.2005       89.90595 345.1938       261.3215 91.49548 17.39028 106.8901 35.60304 -15.39463      39.62320 
1 1 1 1   28 13 o 178.1303 8.906640 936.5140       92.75179 899.2130       104.7430 1072.016       199.6355 174.3467 10.28954 188.7722 18.25993 -14.42549      20.95948 
1 1 1 1   28 14 o 260.9081 7.915810 2004.305       120.9848 1988.492       136.3020 2063.038       262.6846 259.7272 8.961596 262.7661 17.13923 -3.038910      19.34072 
1 1 1 1   28 15 o 395.2009 7.368543 4592.450       170.7851 4446.141       205.8186 4915.896       306.0207 388.5881 9.031179 407.5581 12.81891 -18.96994      15.68077 
1 1 1 1   28 16 o 264.3937 7.680915 2057.765       118.9745 2186.399       152.9996 1861.004       189.2262 272.2496 9.597373 250.5269 12.92250 21.72270       16.09660 
1 1 1 1   28 17 o 144.5517 10.09880 618.9597       85.07523 549.4473       112.5554 711.5992       129.9370 135.4124 14.39308 154.2652 14.53323 -18.85281      20.45423 
1 1 1 1   28 18 o 106.3303 12.65081 339.0380       77.34576 331.3521       117.8226 344.8582       102.5314 103.4789 20.13939 106.3406 17.01347 -2.861710      26.36386 
1 1 1 1   28 19 o 467.7346 7.693096 6437.708       211.0334 6735.742       279.2991 6041.180       322.1617 477.8763 9.965601 451.7633 12.17050 26.11304       15.73004 
1 1 1 1   28 20 o 104.4015 10.77158 325.2741       65.00758 275.8112       118.3488 346.6464       77.79440 93.78474 21.91372 107.4858 12.57851 -13.70103      25.26718 
1 1 1 1   28 21 f 159.7482 8.368983 753.9044       78.13432 761.0408       124.1057 749.2184       100.5672 159.5961 13.38237 158.8487 10.86032 0.7473450      17.23468 
1 1 1 1   28 22 o 246.2772 7.554138 1787.743       108.9798 1712.564       151.7581 1867.793       156.5972 240.3932 10.79165 251.1040 10.65782 -10.71078      15.16736 
1 1 1 1   28 23 f 128.7747 8.725290 491.3961       65.50719 498.5171       66.90651 326.4778       321.9833 129.6894 8.849595 106.1513 39.17339 23.53813       40.16055 
1 1 1 1   28 24 o 191.6548 7.796669 1084.355       87.45240 1028.909       89.95998 2037.541       372.9944 186.6086 8.240231 255.8535 25.18375 -69.24492      26.49759 
1 1 1 1   28 25 o 212.4471 7.834295 1332.475       97.44435 1323.319       100.9866 1456.176       371.1740 211.6561 8.150698 212.5356 30.66373 -0.8795013     31.72851 
1 1 1 1   28 26 o 231.9476 7.924243 1589.086       107.6366 1589.656       111.8745 1581.986       394.8089 231.9217 8.238147 220.3338 31.44407 11.58791       32.50533 
1 1 1 1   28 27 o 130.4195 10.81121 508.4247       81.95035 538.3895       84.09973 -55.41947      364.8120 134.2410 10.77251 81.64648 36.65110 52.59455       38.20144 
1 1 1 1   28 28 o 33.13833 15.17654 -43.06887      66.47334 -28.96437      67.85837 -378.0459      330.6984 35.13877 15.78777 63.43950 30.48320 -28.30073      34.32898 
1 1 1 1   28 29 o 111.6417 12.01338 377.1753       77.42146 386.7155       79.31126 184.1086       356.7873 113.0185 12.15652 92.34133 38.82721 20.67722       40.68579 
1 1 1 1   28 30 o 39.27302 17.39756 -19.32434      79.41142 -9.806054      81.56842 -192.1881      347.6120 40.94099 17.90117 70.78454 33.19265 -29.84355      37.71212 
1 1 1 1   28 31 o 96.08991 15.79491 289.4688       85.92132 267.4660       88.41632 662.9054       364.2524 91.82054 17.04624 127.6130 42.01680 -35.79243      45.34298 
1 1 1 1   28 32 f 168.8979 10.05322 856.1879       99.13118 835.8997       103.3799 1087.903       349.3752 166.6515 10.63280 170.0331 36.14968 -3.381592      37.68097 
1 1 1 1   28 33 o 222.1779 9.052471 1475.396       117.7086 1475.802       123.7087 1471.507       382.5981 221.9848 9.524410 199.7270 33.87194 22.25780       35.18555 
1 1 1 1   28 34 o 145.5392 11.93003 646.0220       100.9362 633.1561       104.9847 803.2511       367.0058 143.7679 12.57782 134.8981 41.95118 8.869781       43.79615 
1 1 1 1   28 35 o 67.61395 21.31785 151.4444       94.43850 121.5005       97.43023 616.6876       384.0429 62.27245 21.71843 114.9373 42.71478 -52.66485      47.91913 
1 1 1 1   28 36 o 145.8182 12.22566 653.0036       103.5908 661.7703       106.9917 521.6423       414.1575 146.6164 12.56376 105.1895 42.79074 41.42693       44.59704 
1 1 1 1   28 37 f 135.9954 14.14913 579.3401       111.2027 579.2233       115.9164 580.6891       393.9622 135.5707 14.82017 107.8867 42.45177 27.68403       44.96432 
1 1 1 1   28 38 o 51.17125 21.58750 38.44842       110.8740 8.599071       115.2499 409.2829       406.2217 48.67836 21.28151 94.76241 40.68977 -46.08405      45.91906 
1 1 1 1   28 39 o 176.8038 12.64135 968.8740       130.2148 1019.846       136.8657 482.3227       422.8588 181.1619 12.96758 97.64133 41.71095 83.52058       43.68022 
1 1 1 1   28 40 o 121.7153 19.56062 499.5630       134.9002 509.0779       140.9164 395.2154       466.6605 122.2378 20.37316 91.27340 41.17094 30.96439       45.93595 
1 1 1 1   28 41 o 65.57806 26.16920 131.5816       151.6902 155.1502       158.9509 -108.8617      507.6944 68.68111 26.98314 75.00933 36.45645 -6.328224      45.35595 
1 1 1 1   29 0  o 387.3571 7.678588 4413.157       174.4389 4537.460       201.7472 4044.965       347.2179 392.5964 8.762151 368.6352 16.09917 23.96127       18.32917 
1 1 1 1   29 1  o 226.8016 7.996386 1515.174       106.1965 1586.734       123.2813 1309.326       209.0900 231.9539 9.079974 209.0581 17.20574 22.89578       19.45465 
1 1 1 1   29 2  o 237.3941 7.886117 1659.634       109.6429 1720.250       128.9937 1501.831       208.1282 241.5231 9.123059 224.3169 15.92396 17.20624       18.35219 
1 1 1 1   29 3  o 205.4790 11.02750 1249.313       132.4041 1287.929       149.4522 1108.426       285.4641 208.4174 12.28137 189.4551 26.40854 18.96236       29.12462 
1 1 1 1   29 4  o 454.0087 8.251090 6065.417       219.6980 6320.692       258.3281 5398.178       417.6464 463.2000 9.509389 425.6874 16.76167 37.51251       19.27127 
1 1 1 1   29 5  o 170.5207 10.35328 860.4446       103.0515 831.6278       108.9916 1103.405       316.4735 167.5067 11.15819 187.7952 29.72270 -20.28851      31.74814 
1 1 1 1   29 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   29 7  o 295.8838 7.746902 2576.909       134.3155 2651.134       148.4805 2242.626       315.1012 300.0118 8.447207 273.1254 19.80606 26.88641       21.53219 
1 1 1 1   29 8  o 56.60402 21.79979 65.28435       102.1409 -0.3433059     110.0586 472.7971       274.2529 49.73475 21.26368 121.6465 35.94652 -71.91176      41.76477 
1 1 1 1   29 9  o 199.1002 8.814173 1169.304       102.6658 1131.548       109.2852 1452.960       299.5451 195.7523 9.548080 218.2812 23.78308 -22.52893      25.62812 
1 1 1 1   29 10 o 95.34126 21.31449 283.0317       116.1834 283.0317       116.1834 0.000000       0.000000 95.34126 21.31449 ?        ?        0.000000       21.31449 
1 1 1 1   29 11 o 169.1271 11.55193 848.3024       113.8945 754.7737       130.9299 1139.204       230.9081 159.0128 14.18854 194.0046 20.60939 -34.99181      25.02123 
1 1 1 1   29 12 o 213.9768 8.335899 1349.365       104.4090 1379.199       117.4480 1236.936       227.9954 216.2041 9.284196 202.5821 19.42781 13.62198       21.53221 
1 1 1 1   29 13 o 294.0863 7.492476 2544.969       129.1210 2497.856       150.1995 2678.379       252.7518 291.1563 8.806252 300.3165 14.39231 -9.160126      16.87272 
1 1 1 1   29 14 o 392.3018 8.106712 4528.295       186.5158 4407.039       202.8608 5191.090       474.2820 386.8721 8.940878 416.2511 19.48217 -29.37897      21.43582 
1 1 1 1   29 15 o 260.4648 7.507434 1996.967       114.5613 1918.599       134.0679 2209.038       220.5441 255.0892 8.975516 272.7486 13.83257 -17.65935      16.48939 
1 1 1 1   29 16 o 294.2542 7.181339 2546.254       123.9306 2498.768       150.6435 2645.688       217.9912 291.1535 8.832431 298.8385 12.46541 -7.684998      15.27738 
1 1 1 1   29 17 f 189.3481 8.336450 1057.645       92.34786 1147.153       119.6032 925.5052       145.3202 196.8959 10.39434 176.0672 14.19353 20.82872       17.59257 
1 1 1 1   29 18 o 322.5066 7.043982 3059.361       133.2317 3051.539       166.4853 3073.293       222.1816 321.6927 8.832737 322.1451 11.77980 -0.4523010     14.72348 
1 1 1 1   29 19 o 101.8019 12.21057 311.1486       71.44945 254.0740       111.1927 351.2885       93.24875 89.99542 21.38462 107.6235 15.19591 -17.62811      26.23391 
1 1 1 1   29 20 o 73.96482 15.58497 169.1528       65.46886 221.5431       152.5223 157.3198       72.48627 85.05235 27.12537 71.08343 17.50520 13.96893       32.28339 
1 1 1 1   29 21 o 249.2494 8.914936 1835.194       130.1076 1714.405       230.1460 1891.930       157.7316 238.7576 16.53818 252.6810 10.66777 -13.92342      19.68027 
1 1 1 1   29 22 o 181.4771 8.119919 972.8603       86.20309 757.8274       130.5748 1138.983       114.7682 158.8637 14.16306 196.0313 10.01585 -37.16759      17.34674 
1 1 1 1   29 23 o 136.8415 7.627698 553.5387       60.97333 547.9316       61.94682 727.7440       345.2892 136.1208 7.792242 145.4184 39.48042 -9.297607      40.24205 
1 1 1 1   29 24 o 53.33498 16.68858 85.09275       57.98457 83.71267       58.75464 136.7084       359.3194 53.07353 16.82513 93.29604 39.07959 -40.22250      42.54761 
1 1 1 1   29 25 o 150.8324 9.242691 675.3467       81.36791 675.3467       81.36791 0.000000       0.000000 150.8324 9.242691 ?        ?        0.000000       9.242691 
1 1 1 1   29 26 o 31.69409 14.71577 -55.00256      65.64422 -49.01796      66.66763 -245.4511      376.0851 32.62411 15.03520 74.14501 34.68998 -41.52090      37.80810 
1 1 1 1   29 27 o 30.54599 14.23443 -55.07790      62.30028 -49.24222      63.18637 -258.7801      373.3152 31.42709 14.53810 72.48994 34.11952 -41.06286      37.08770 
1 1 1 1   29 28 o 103.8614 11.69093 326.6003       69.97659 325.2053       71.32177 362.5387       362.0053 103.5611 11.96252 104.9625 40.87134 -1.401405      42.58601 
1 1 1 1   29 29 o 215.8845 7.786773 1382.534       98.42775 1331.378       102.5090 1986.877       352.3335 211.6911 8.272669 246.9682 24.65466 -35.27701      26.00557 
1 1 1 1   29 30 f 101.4146 14.43120 318.7363       83.41336 317.1226       85.66146 348.2761       366.4997 100.9746 14.91334 100.9480 40.54308 0.2661133E-01  43.19894 
1 1 1 1   29 31 o 132.5365 11.93032 533.7018       91.74237 551.6106       94.75770 265.6651       366.5877 134.6813 12.12627 94.16861 39.46085 40.51273       41.28201 
1 1 1 1   29 32 o 178.6157 10.02868 958.7815       104.6324 954.9854       108.5349 1008.739       393.7327 178.0818 10.43776 154.4269 42.25541 23.65494       43.52547 
1 1 1 1   29 33 o 59.96080 21.02003 109.6294       91.33563 77.67436       94.01389 646.6314       385.3987 54.88496 20.97093 119.0916 43.02592 -64.20663      47.86449 
1 1 1 1   29 34 o 70.24287 21.23870 165.1813       94.90370 124.4509       98.60598 677.2313       349.6233 62.85115 21.85349 122.4099 41.18761 -59.55877      46.62611 
1 1 1 1   29 35 o 72.72865 21.56500 179.7919       98.56705 205.5481       101.3121 -276.2815      426.3218 77.55219 21.51887 70.14821 33.93088 7.403976       40.17917 
1 1 1 1   29 36 o 48.52047 20.71861 22.97559       104.2539 55.26512       106.6603 -668.4871      493.5787 52.82658 21.62970 65.12139 32.44062 -12.29482      38.99023 
1 1 1 1   29 37 o 133.5428 14.79676 564.1790       113.9455 613.3220       118.6161 -23.23499      410.0958 139.3266 14.73964 75.27409 35.53115 64.05254       38.46713 
1 1 1 1   29 38 o 60.13097 22.82263 108.3218       110.8837 83.25472       115.7804 386.0091       385.3555 57.15697 22.84469 92.48143 39.66927 -35.32446      45.77697 
1 1 1 1   29 39 o 49.76995 21.71590 16.21741       119.4910 10.93988       124.4793 78.13412       426.3695 50.04987 21.99230 77.91639 36.60784 -27.86652      42.70591 
1 1 1 1   29 40 o 160.2361 14.45431 814.2768       134.3751 792.8122       139.6217 1083.893       494.8388 157.3780 15.32090 127.3675 48.24268 30.01055       50.61706 
1 1 1 1   29 41 o 99.26153 22.75951 354.4183       129.6614 304.1679       134.9622 956.6895       467.2385 90.17334 24.76563 119.6514 46.47768 -29.47805      52.66413 
1 1 1 1   30 0  o 286.4659 7.512766 2415.032       126.1097 2375.171       150.5632 2508.731       230.8410 283.8600 9.055660 290.8099 13.57228 -6.949951      16.31600 
1 1 1 1   30 1  o 220.1689 8.777191 1429.328       113.1074 1607.991       131.6388 925.3719       221.0867 233.4168 9.636873 174.1715 22.14380 59.24536       24.14989 
1 1 1 1   30 2  o 198.9741 9.197474 1168.458       107.0383 1287.890       125.2666 845.3148       206.0499 208.7569 10.26306 166.5098 21.60918 42.24713       23.92252 
1 1 1 1   30 3  o 165.9776 12.22372 818.3329       118.1533 818.3329       118.1533 0.000000       0.000000 165.9776 12.22372 ?        ?        0.000000       12.22372 
1 1 1 1   30 4  o 159.0509 11.70852 750.9818       108.4511 803.5316       115.0464 331.6754       324.9775 164.4996 12.00768 109.0170 39.49255 55.48256       41.27767 
1 1 1 1   30 5  o 301.0656 11.68653 2680.484       205.9546 2680.484       205.9546 0.000000       0.000000 301.0656 11.68653 ?        ?        0.000000       11.68653 
1 1 1 1   30 6  o 290.7446 11.59507 2499.718       197.3165 2853.691       243.3920 1821.022       337.0226 310.2524 13.40810 244.6361 23.79038 65.61626       27.30859 
1 1 1 1   30 7  o 206.2069 9.646483 1255.491       116.3369 1283.154       124.7325 1070.504       322.5509 208.3817 10.23767 184.4967 30.90160 23.88492       32.55332 
1 1 1 1   30 8  o 310.7976 10.85725 2852.910       197.5970 2648.438       230.7833 3414.483       382.4641 298.9246 13.19666 337.4951 19.40472 -38.57047      23.46689 
1 1 1 1   30 9  o 255.6019 9.067983 1926.177       135.7178 1926.177       135.7178 0.000000       0.000000 255.6019 9.067983 ?        ?        0.000000       9.067983 
1 1 1 1   30 10 o 249.5577 8.788924 1835.679       128.4336 1725.343       136.5177 2685.408       378.8513 241.8033 9.646029 298.2935 21.80647 -56.49020      23.84466 
1 1 1 1   30 11 o 269.4929 8.626515 2140.041       136.1675 2119.520       143.8378 2317.202       422.6259 268.1134 9.160992 275.0116 26.53223 -6.898193      28.06925 
1 1 1 1   30 12 o 261.3983 8.121917 2012.535       124.3611 2066.010       141.3280 1829.071       261.7733 264.7011 9.117393 246.9747 18.20053 17.72639       20.35647 
1 1 1 1   30 13 o 307.9974 7.382205 2789.941       133.3471 2811.750       153.6858 2723.513       268.2196 308.9370 8.490342 302.5126 15.16645 6.424408       17.38123 
1 1 1 1   30 14 o 60.15817 21.08222 97.28966       91.87194 -17.06756      104.7516 478.4329       191.2375 46.65367 20.34475 122.9569 27.23767 -76.30327      33.99706 
1 1 1 1   30 15 o 112.1802 14.32720 379.3395       92.11170 333.9928       106.1690 517.3756       185.2342 104.3201 18.00360 128.3154 25.51312 -23.99532      31.22578 
1 1 1 1   30 16 o 159.5774 9.997418 754.2723       93.09409 774.4730       111.9511 708.9941       167.6059 161.3743 11.91286 152.6509 19.14114 8.723404       22.54550 
1 1 1 1   30 17 o 272.2943 7.179175 2183.105       114.5472 2217.268       138.8690 2110.379       202.6166 274.1667 8.647361 266.4753 13.00412 7.691467       15.61678 
1 1 1 1   30 18 o 179.8277 8.399295 955.1142       88.33815 902.7913       113.4269 1035.775       140.8322 174.3396 11.15200 186.3874 12.96434 -12.04787      17.10091 
1 1 1 1   30 19 o 183.2949 8.214219 992.2186       88.07700 1024.835       120.9677 955.4180       128.4919 185.7413 11.15622 179.0637 12.31028 6.677536       16.61337 
1 1 1 1   30 20 o 208.7032 7.706806 1285.092       94.16892 1222.581       129.4661 1355.316       137.2220 202.9300 10.91846 213.6753 10.98701 -10.74536      15.48958 
1 1 1 1   30 21 f 192.4609 7.954783 1093.839       89.59510 1072.964       129.2338 1113.156       124.3221 189.8503 11.66314 193.5445 10.99786 -3.694229      16.03065 
1 1 1 1   30 22 f 362.6604 8.799496 3883.331       187.1580 4006.766       289.8865 3795.104       245.0820 366.4435 13.51185 357.3915 11.70856 9.052002       17.87905 
1 1 1 1   30 23 o 189.9818 6.576454 1064.060       73.16425 1075.666       74.63143 777.5305       370.8071 191.0014 6.672710 148.3727 41.16770 42.62872       41.70497 
1 1 1 1   30 24 o 229.8994 6.495176 1558.036       87.48704 1510.382       89.60601 2530.009       404.6851 226.3042 6.758979 283.9409 24.54251 -57.63680      25.45621 
1 1 1 1   30 25 o 128.0555 8.535601 487.1064       63.73769 471.7857       64.64158 1023.470       382.4749 125.9645 8.805560 169.3949 39.26632 -43.43039      40.24154 
1 1 1 1   30 26 o 139.4043 8.402965 577.4285       68.38141 566.3245       69.63354 877.8845       362.2173 137.9992 8.647284 154.2225 39.78498 -16.22328      40.71389 
1 1 1 1   30 27 o 224.4872 6.876461 1490.090       90.42628 1455.459       92.87587 2120.755       396.3400 221.7863 7.149661 253.8126 27.04182 -32.02623      27.97102 
1 1 1 1   30 28 o 24.38403 11.99999 -123.0763      60.34669 -114.7914      61.17059 -424.4345      368.9281 25.18404 12.32983 64.64303 31.33856 -39.45898      33.67684 
1 1 1 1   30 29 o 76.76228 16.80640 188.3510       73.55891 210.3117       75.20920 -295.6492      353.0782 81.37032 16.32819 66.57663 31.85970 14.79369       35.80014 
1 1 1 1   30 30 o 106.1087 13.91936 348.2186       84.53385 340.0576       86.72160 503.8728       378.7363 104.6032 14.52777 111.3442 42.19811 -6.740990      44.62888 
1 1 1 1   30 31 o 164.8056 10.02596 816.9108       96.44708 814.5435       99.63861 852.0988       384.1445 164.4161 10.38623 139.9588 42.81414 24.45723       44.05592 
1 1 1 1   30 32 o 129.8242 12.34613 516.5687       92.87177 495.5470       95.74403 851.2528       382.0274 126.8110 13.06028 137.4385 42.81058 -10.62750      44.75843 
1 1 1 1   30 33 o 168.2371 10.28729 855.5831       101.0164 881.0197       104.9226 532.9258       373.6895 170.6031 10.53796 108.4865 41.71909 62.11662       43.02942 
1 1 1 1   30 34 o 82.47994 19.81729 228.6158       94.66233 237.3188       97.26681 72.60202       411.8231 83.96012 20.03360 81.20341 37.40371 2.756714       42.43092 
1 1 1 1   30 35 o 58.92383 21.83230 103.3635       100.1886 90.43028       102.6902 359.1643       456.6948 57.17398 21.89943 94.00336 41.67792 -36.82938      47.08115 
1 1 1 1   30 36 o 126.1434 15.48735 507.3884       112.1740 532.4935       115.9190 137.5715       444.9047 129.1744 15.61798 82.79361 38.39643 46.38081       41.45127 
1 1 1 1   30 37 o 113.9673 17.32732 424.8198       112.1716 444.7463       118.5989 255.7796       345.4301 116.2079 17.98201 84.43739 36.88075 31.77052       41.03099 
1 1 1 1   30 38 o 81.68185 23.31379 240.8181       117.1837 266.2065       123.4554 9.813328       372.3941 85.60348 23.75495 72.88900 34.23524 12.71448       41.66953 
1 1 1 1   30 39 o 85.72324 24.65261 272.3668       130.5529 196.9751       136.4044 1094.963       450.5676 73.52534 25.69412 134.4802 46.71684 -60.95488      53.31652 
1 1 1 1   30 40 o 101.9850 22.49624 371.6713       130.9360 395.0469       135.0984 9.761880       531.5794 105.1708 22.57811 77.93167 37.74204 27.23913       43.97991 
1 1 1 1   31 0  o 145.8876 14.30898 636.4605       120.8540 838.1965       141.6636 97.09349       231.6375 167.5545 14.56066 79.24195 32.08724 88.31254       35.23640 
1 1 1 1   31 1  o 185.9433 22.76094 1054.730       243.0418 0.000000       0.000000 1054.730       243.0418 ?        ?        185.9433 22.76094 0.000000       22.76094 
1 1 1 1   31 2  o 158.0214 17.61593 752.5301       160.4841 1076.557       213.8688 334.9434       242.7899 188.8138 19.59833 104.9056 34.29036 83.90820       39.49587 
1 1 1 1   31 3  o 129.4120 41.05421 534.5857       349.7643 0.000000       0.000000 534.5857       349.7643 ?        ?        129.4120 41.05421 0.000000       41.05421 
1 1 1 1   31 4  o 358.1792 12.73557 3797.777       267.1022 3797.777       267.1022 0.000000       0.000000 358.1792 12.73557 ?        ?        0.000000       12.73557 
1 1 1 1   31 5  o 214.6501 14.79770 1372.408       185.1441 1541.238       213.6877 864.0508       370.7998 227.2041 16.14174 162.3762 39.35323 64.82788       42.53507 
1 1 1 1   31 6  o 251.2249 9.228698 1861.313       135.7422 1780.823       145.3696 2409.312       379.3102 245.5840 10.11471 281.9162 23.14524 -36.33220      25.25885 
1 1 1 1   31 7  o 203.1734 14.44694 1229.544       171.0215 1229.544       171.0215 0.000000       0.000000 203.1734 14.44694 ?        ?        0.000000       14.44694 
1 1 1 1   31 8  o 243.0963 8.996408 1742.622       128.0408 1730.833       136.4353 1829.674       370.7509 242.1740 9.625314 244.1446 26.30791 -1.970627      28.01344 
1 1 1 1   31 9  o 316.1675 8.217733 2943.783       152.2480 3054.389       167.1908 2406.675       368.4291 321.9453 8.863254 281.8917 22.47132 40.05359       24.15611 
1 1 1 1   31 10 o 158.4299 11.63106 745.3628       107.3172 721.1937       112.4120 994.0126       360.5595 155.6894 12.41402 175.1786 36.28942 -19.48920      38.35401 
1 1 1 1   31 11 o 210.2123 9.035194 1304.124       111.1299 1310.877       122.9792 1274.061       259.4824 210.6086 9.984894 204.6026 21.96817 6.006058       24.13086 
1 1 1 1   31 12 o 42.84240 18.92082 -26.16836      93.23337 7.420083       100.5970 -230.7278      248.2560 48.43449 20.50414 59.75217 28.02933 -11.31768      34.72842 
1 1 1 1   31 13 o 97.38076 17.59302 291.5716       96.77947 276.9664       106.9484 357.6026       227.4023 94.35083 19.95206 106.5065 33.00592 -12.15570      38.56780 
1 1 1 1   31 14 o 107.7108 15.69096 352.4035       96.20834 380.8822       110.7329 264.7040       194.3187 111.6263 17.48839 93.40897 30.68542 18.21733       35.31910 
1 1 1 1   31 15 o 107.6903 15.50380 352.2935       95.10078 316.0718       109.1203 466.7141       193.9426 101.0233 19.11757 120.7766 27.93654 -19.75327      33.85162 
1 1 1 1   31 16 o 163.1214 10.19796 789.1560       97.07265 798.1400       114.3357 765.9595       183.7210 163.7010 11.99234 158.1034 20.28022 5.597626       23.56063 
1 1 1 1   31 17 o 59.86306 20.11346 102.5503       83.37755 197.0460       102.4823 -82.45500      143.3952 79.24911 21.50576 49.20080 22.44047 30.04831       31.08171 
1 1 1 1   31 18 o 371.7353 7.188286 4069.032       156.7147 3926.096       188.2712 4391.491       282.7800 364.7710 8.800613 384.3552 12.56172 -19.58417      15.33779 
1 1 1 1   31 19 o 59.31423 18.15389 106.5747       69.05383 104.5545       101.2665 108.3305       94.40756 62.21846 22.10466 62.06595 21.39311 0.1525040      30.76169 
1 1 1 1   31 20 o 194.8870 7.720335 1121.320       88.06621 1005.921       115.6707 1280.457       135.8339 183.9706 10.76780 207.5282 11.20194 -23.55762      15.53798 
1 1 1 1   31 21 o 83.37503 13.22233 212.0050       62.49869 72.52493       104.4676 289.7543       77.99633 57.49272 22.07128 97.56700 14.03402 -40.07428      26.15521 
1 1 1 1   31 22 o 174.3432 7.831750 898.6859       79.87379 1112.216       129.7142 768.2730       101.3719 193.1196 11.50492 160.5497 10.82944 32.56984       15.80000 
1 1 1 1   31 23 o 61.08929 11.98067 114.8935       41.38920 113.0253       41.65740 258.5768       365.3327 60.54644 12.15425 100.5343 40.44315 -39.98787      42.23002 
1 1 1 1   31 24 o 80.64319 10.51717 196.5123       48.55729 187.4677       48.98190 711.4276       369.5784 78.64581 10.91333 138.2280 41.93691 -59.58218      43.33365 
1 1 1 1   31 25 o 166.4538 6.849743 819.3922       66.72514 833.1288       68.05019 476.9249       339.7807 167.8292 6.928613 114.6129 40.51226 53.21624       41.10047 
1 1 1 1   31 26 o 108.1684 8.963385 349.9187       56.35204 337.5847       57.02449 863.6566       368.0273 106.1645 9.250943 149.2121 40.86259 -43.04762      41.89668 
1 1 1 1   31 27 o 121.5932 8.712331 441.6354       61.71721 450.9760       62.62449 126.2604       363.8908 122.8694 8.747817 86.96285 37.92099 35.90659       38.91691 
1 1 1 1   31 28 f 122.1826 9.947138 448.9799       70.66226 448.0341       71.89641 475.8195       383.0141 121.9937 10.14052 109.9070 42.24387 12.08667       43.44392 
1 1 1 1   31 29 o 69.39436 17.19575 155.3842       69.62429 156.9708       70.78934 108.3709       385.3474 69.70719 17.37726 85.66088 38.11408 -15.95369      41.88857 
1 1 1 1   31 30 o 216.3763 8.089838 1394.972       102.4789 1419.222       106.5490 1095.622       374.3535 218.1417 8.343751 164.6147 39.31773 53.52708       40.19331 
1 1 1 1   31 31 o 208.7877 8.282778 1301.908       101.2206 1275.432       104.6974 1680.793       396.0646 206.4739 8.665362 212.0657 32.91151 -5.591797      34.03316 
1 1 1 1   31 32 o 147.8055 10.45878 661.8798       90.07589 667.3568       93.34985 587.8813       343.1269 148.2572 10.81040 114.2259 40.67795 34.03135       42.08991 
1 1 1 1   31 33 o 98.44667 16.60928 312.3016       92.48754 320.1813       95.19207 179.5112       390.7775 99.55013 16.90876 84.95127 38.04933 14.59885       41.63722 
1 1 1 1   31 34 o 106.9655 15.86391 366.4637       96.50747 344.2921       99.07446 777.7691       426.7224 103.0052 16.99230 120.3060 44.96364 -17.30077      48.06732 
1 1 1 1   31 35 o 181.5442 10.73570 1004.767       113.7941 1008.390       118.1740 958.5966       421.8854 181.6021 11.14934 133.1662 45.24251 48.43591       46.59606 
1 1 1 1   31 36 o 48.82195 20.86806 26.31559       105.9522 66.34872       110.1566 -468.2933      387.1969 54.28266 22.07351 60.20962 29.77371 -5.926964      37.06364 
1 1 1 1   31 37 o 140.8543 14.75723 630.8714       120.0986 645.4097       124.8370 450.1951       440.0862 142.1441 15.21113 94.12444 41.35549 48.01966       44.06421 
1 1 1 1   31 38 o 50.47139 21.94875 22.12733       121.2089 40.71754       124.8258 -284.7890      507.1916 52.89385 22.63057 70.81672 34.83854 -17.92287      41.54355 
1 1 1 1   31 39 o 56.92796 23.79718 71.18429       132.8294 72.86111       137.1519 45.83271       533.2876 57.57847 24.13292 78.94061 38.12656 -21.36214      45.12242 
1 1 1 1   32 0  f 438.2077 9.915956 5660.372       254.8385 5660.372       254.8385 0.000000       0.000000 438.2077 9.915956 ?        ?        0.000000       9.915956 
1 1 1 1   32 1  o 322.4149 9.851827 3066.806       186.0683 3066.806       186.0683 0.000000       0.000000 322.4149 9.851827 ?        ?        0.000000       9.851827 
1 1 1 1   32 2  o 54.53671 23.40381 -2.599195      134.2441 8.550951       142.8569 -86.79414      392.5581 57.31220 24.35540 86.44946 38.46674 -29.13725      45.52884 
1 1 1 1   32 3  o 405.0057 20.21409 4926.930       478.6201 0.000000       0.000000 4926.930       478.6201 ?        ?        405.0057 20.21409 0.000000       20.21409 
1 1 1 1   32 4  o 139.5499 15.02228 584.4437       121.0121 575.7681       129.3865 645.0292       341.9218 138.2253 16.27205 140.2254 39.75787 -2.000107      42.95890 
1 1 1 1   32 5  o 282.2079 9.473086 2349.490       156.5652 2349.490       156.5652 0.000000       0.000000 282.2079 9.473086 ?        ?        0.000000       9.473086 
1 1 1 1   32 6  o 384.1479 9.221017 4347.815       207.7436 4347.815       207.7436 0.000000       0.000000 384.1479 9.221017 ?        ?        0.000000       9.221017 
1 1 1 1   32 7  o 199.9733 10.42097 1183.018       121.7951 1170.320       130.7505 1266.301       334.8571 198.7477 11.26347 201.1993 29.23278 -2.451538      31.32764 
1 1 1 1   32 8  o 383.2106 8.094139 4322.747       181.9109 4397.171       203.4975 4026.721       405.8494 386.3245 8.981653 366.2694 18.95808 20.05511       20.97805 
1 1 1 1   32 9  f 253.3392 11.92196 1902.234       176.6366 1902.234       176.6366 0.000000       0.000000 253.3392 11.92196 ?        ?        0.000000       11.92196 
1 1 1 1   32 10 o 153.6484 12.45599 703.3810       111.2806 703.3810       111.2806 0.000000       0.000000 153.6484 12.45599 ?        ?        0.000000       12.45599 
1 1 1 1   32 11 o 170.8152 10.46081 864.7587       104.2928 788.8594       112.1943 1347.384       282.9155 162.8717 11.82615 209.5427 23.42164 -46.67099      26.23797 
1 1 1 1   32 12 o 303.2682 7.782340 2709.671       138.3021 2750.740       155.7683 2556.732       300.5952 305.3797 8.706266 291.7470 17.65068 13.63269       19.68109 
1 1 1 1   32 13 o 148.7645 11.74506 659.2857       101.6412 644.4841       112.5449 724.7624       236.7088 146.7684 13.21644 151.0995 27.73336 -4.331070      30.72155 
1 1 1 1   32 14 o 124.9622 13.71993 469.6863       98.89808 390.0588       111.7556 757.2364       212.3705 112.8229 17.45253 155.7893 24.01439 -42.96638      29.68639 
1 1 1 1   32 15 o 220.6174 8.488760 1437.371       109.6285 1541.774       128.1587 1152.604       211.6589 228.2811 9.593939 194.7718 18.76120 33.50934       21.07193 
1 1 1 1   32 16 f 165.8458 9.813518 815.6541       95.02415 805.1660       108.8701 849.1996       194.7056 164.4613 11.35716 166.2656 20.39420 -1.804306      23.34328 
1 1 1 1   32 17 o 29.45789 14.39993 -153.6517      82.47911 -115.2532      99.59365 -237.4802      147.1535 36.57597 17.33746 40.69262 19.74271 -4.116653      26.27474 
1 1 1 1   32 18 o 253.7203 7.609795 1899.026       113.1065 2001.573       142.8061 1726.420       185.2734 260.0880 9.377507 240.4551 13.18848 19.63293       16.18251 
1 1 1 1   32 19 o 219.3634 7.819385 1420.908       100.4366 1319.345       127.2442 1588.762       163.5830 210.8209 10.32277 230.8794 12.12347 -20.05852      15.92288 
1 1 1 1   32 20 o 301.9897 7.160359 2688.129       126.8170 2770.420       164.8055 2568.666       198.5696 305.9313 9.195822 293.7760 11.54763 12.15530       14.76180 
1 1 1 1   32 21 f 82.60335 12.87618 208.2879       60.34542 83.33758       105.7796 268.5728       73.47462 59.08120 22.32141 93.79909 13.76574 -34.71788      26.22482 
1 1 1 1   32 22 o 77.31556 12.23833 182.6049       53.64775 84.88622       98.06924 224.3353       64.08710 58.04678 21.58267 85.63143 13.18338 -27.58465      25.29058 
1 1 1 1   32 23 o 137.9995 6.292236 562.6655       50.79124 551.9180       51.30334 1092.976       360.3769 136.6514 6.419431 175.6869 36.18118 -39.03549      36.74625 
1 1 1 1   32 24 o 36.88243 13.75215 32.03562       39.87073 24.83876       40.15028 543.4622       338.4611 35.21164 13.63912 119.9280 40.52502 -84.71634      42.75866 
1 1 1 1   32 25 o 164.7221 6.424066 802.5303       61.94111 787.5356       62.84007 1315.398       367.5124 163.1390 6.581437 192.2521 33.82972 -29.11314      34.46397 
1 1 1 1   32 26 o 83.48869 10.47055 211.6204       50.14364 205.5948       50.66130 501.9562       351.6650 82.19392 10.76832 113.0366 41.06308 -30.84266      42.45154 
1 1 1 1   32 27 o 31.27076 13.89809 -15.38152      51.09251 -5.483422      51.67854 -444.4066      340.2324 32.91667 14.32297 60.17255 29.37802 -27.25589      32.68357 
1 1 1 1   32 28 o 117.9256 9.163062 417.4259       62.87532 416.0840       63.79121 463.1499       372.3813 117.6888 9.318192 107.3192 41.54600 10.36961       42.57815 
1 1 1 1   32 29 o 135.4666 9.067326 550.6591       71.62326 559.0123       72.75519 288.4540       407.6212 136.4687 9.143100 94.66043 40.70451 41.80824       41.71875 
1 1 1 1   32 30 o 196.9116 7.481008 1154.635       86.23657 1172.079       88.20380 776.6055       410.6086 198.3486 7.596457 126.9661 44.56393 71.38255       45.20675 
1 1 1 1   32 31 o 133.5448 10.03154 539.6431       77.99364 526.3265       79.63612 852.5203       386.0117 131.7300 10.39212 134.5500 43.17810 -2.820007      44.41108 
1 1 1 1   32 32 o 109.9534 14.33021 380.0138       90.21183 355.1094       92.70962 823.6037       391.2711 105.7003 15.40848 129.4208 43.57190 -23.72050      46.21614 
1 1 1 1   32 33 o 51.79670 20.48023 63.72904       92.09134 55.56387       95.06702 188.0676       370.9798 51.05728 20.59857 83.16896 37.17488 -32.11168      42.50026 
1 1 1 1   32 34 o 51.04790 20.72722 54.85617       96.95972 63.74057       99.65900 -102.5195      419.4416 52.65903 21.14420 72.88971 34.83850 -20.23068      40.75290 
1 1 1 1   32 35 o 94.44431 19.52188 302.1650       104.5549 298.1720       107.8276 364.9650       427.6207 93.31965 20.28219 91.18230 40.38332 2.137344       45.19049 
1 1 1 1   32 36 o 88.27451 20.86102 271.3558       106.2770 294.5215       109.6576 -87.08167      431.3426 92.10992 20.79370 72.59171 34.86357 19.51820       40.59367 
1 1 1 1   32 37 o 55.20494 22.36192 74.59935       112.5479 91.84718       114.2854 -479.7440      647.9073 57.64304 22.80771 73.18533 36.56806 -15.54229      43.09773 
1 1 1 1   32 38 o 36.63254 17.88050 -186.1021      125.8023 -199.5549      128.2522 155.9642       646.7164 36.48388 17.86025 83.88226 40.85408 -47.39838      44.58749 
1 1 1 1   33 0  o 287.1566 9.239791 2432.927       155.4053 2551.109       168.4641 1758.070       402.5658 293.9467 9.785747 237.1472 29.58645 56.79955       31.16278 
1 1 1 1   33 1  o 121.6557 17.55494 450.5824       121.6322 453.6294       128.9197 425.8938       366.9691 121.7992 18.63978 118.8286 42.09259 2.970581       46.03507 
1 1 1 1   33 2  o 147.0263 19.05604 657.8157       160.4538 649.0587       178.0461 695.6749       370.2047 145.3131 21.54332 144.4167 41.50793 0.8964386      46.76562 
1 1 1 1   33 3  o 177.4398 12.28194 936.0841       127.0224 959.8187       134.0360 726.9316       397.8887 179.5787 12.81085 147.1267 43.25050 32.45195       45.10791 
1 1 1 1   33 4  o 226.9112 10.31413 1522.840       136.8996 1554.510       145.8897 1289.372       396.1062 229.1526 10.88662 199.9344 35.05869 29.21817       36.71008 
1 1 1 1   33 5  f 268.1174 9.119290 2121.387       143.1871 2151.007       154.5616 1942.073       380.2903 269.8571 9.782199 250.8113 26.24132 19.04578       28.00533 
1 1 1 1   33 6  o 277.1527 9.570910 2268.252       155.3355 2268.252       155.3355 0.000000       0.000000 277.1527 9.570910 ?        ?        0.000000       9.570910 
1 1 1 1   33 7  o 134.2049 14.91818 542.0694       115.4361 594.9924       123.0098 151.5578       334.1446 140.6216 15.15447 93.94034 38.35250 46.68126       41.23800 
1 1 1 1   33 8  f 124.0075 15.93839 465.7043       113.2387 489.7605       120.2591 277.5243       336.3496 127.0718 16.52810 103.7820 39.66295 23.28977       42.96891 
1 1 1 1   33 9  o 178.7530 10.60158 947.5525       110.6419 942.5700       116.4341 993.9251       355.2133 178.1656 11.19976 173.8031 36.03225 4.362503       37.73271 
1 1 1 1   33 10 o 200.4008 9.939726 1188.977       116.4574 1102.786       122.0033 2072.888       390.7000 192.8073 10.83298 258.4070 26.13942 -65.59970      28.29527 
1 1 1 1   33 11 o 237.2154 11.87838 1671.723       164.7276 1671.723       164.7276 0.000000       0.000000 237.2154 11.87838 ?        ?        0.000000       11.87838 
1 1 1 1   33 12 o 119.1558 14.69425 429.3926       100.5135 484.2378       107.8142 65.07675       277.8726 126.6125 14.79818 81.02312 34.17777 45.58938       37.24387 
1 1 1 1   33 13 o 117.4249 14.88055 417.7392       100.1800 403.3678       108.7687 498.1087       257.2174 114.9048 16.62286 122.5688 34.39059 -7.663971      38.19728 
1 1 1 1   33 14 o 124.7392 13.50471 468.3726       97.22206 511.6994       109.3175 304.4413       212.6388 130.1796 14.56798 98.33001 32.08741 31.84960       35.23957 
1 1 1 1   33 15 o 86.19083 19.47582 233.3698       96.12110 196.3394       109.0711 362.1248       203.3822 79.02438 22.47165 105.4826 30.89846 -26.45818      38.20589 
1 1 1 1   33 16 o 160.7882 10.83697 769.4465       101.5941 737.1228       117.4943 865.2177       202.2433 156.8793 12.88372 167.3158 21.07710 -10.43654      24.70292 
1 1 1 1   33 17 o 35.12679 16.58751 -97.66434      89.54739 -77.47653      107.0074 -144.8344      163.5696 41.23292 19.01909 48.85454 22.86399 -7.621620      29.74034 
1 1 1 1   33 18 o 215.3719 8.119489 1371.220       102.3741 1392.890       129.8094 1335.567       166.5042 216.5556 10.24992 211.0491 13.52329 5.506409       16.96880 
1 1 1 1   33 19 o 103.5404 13.01569 324.9333       77.29424 196.1621       106.2097 469.9228       112.6998 78.52715 22.12221 123.9671 15.86434 -45.43993      27.22260 
1 1 1 1   33 20 o 20.66855 10.38668 -166.9016      55.97015 -232.8618      95.79638 -132.7154      68.96568 28.95613 14.40289 26.62352 13.04650 2.332619       19.43333 
1 1 1 1   33 21 o 129.0570 8.527320 495.3157       64.18060 409.5292       93.64228 571.3131       88.13777 115.8503 14.07052 138.0410 10.97722 -22.19077      17.84598 
1 1 1 1   33 22 o 150.6507 10.38028 679.3999       91.15231 687.3440       93.83998 546.6449       383.6111 151.4575 10.63198 120.1276 42.98507 31.32993       44.28042 
1 1 1 1   33 23 o 104.7452 6.810677 325.5713       41.61153 327.9137       41.85528 126.2149       386.1331 105.1201 6.826041 89.28214 38.99507 15.83797       39.58801 
1 1 1 1   33 24 o 98.34692 27.44194 333.4357       164.2600 243.3324       184.4259 679.1777       361.2664 85.66943 29.88067 129.5580 41.78946 -43.88859      51.37327 
1 1 1 1   33 25 o 67.22810 26.79093 107.3092       158.7676 111.3025       177.5076 91.33607       355.0142 69.60972 28.12423 83.48961 36.89452 -13.87989      46.39157 
1 1 1 1   33 26 o 135.7939 22.40293 607.0974       172.2005 665.6370       192.2993 370.1490       386.8828 141.1606 24.09205 101.3379 41.30765 39.82272       47.81997 
1 1 1 1   33 27 o 136.7665 22.50541 620.2291       174.2432 618.3091       195.9090 627.4974       381.1817 134.1839 25.83182 119.6576 42.84504 14.52631       50.02980 
1 1 1 1   33 28 f 79.58870 28.26715 215.2290       165.5891 165.8370       184.7889 416.5492       373.0709 74.62327 29.15982 101.4808 40.85336 -26.85751      50.19255 
1 1 1 1   33 29 o 114.4817 26.24912 465.0227       172.4714 439.3773       192.1240 571.4889       391.4557 108.7716 29.41538 111.0217 42.69793 -2.250061      51.84957 
1 1 1 1   33 30 o 66.92777 27.90439 100.1939       181.9329 162.6636       203.7696 -145.3067      403.9531 74.51585 30.12346 72.80365 34.62691 1.712204       45.89603 
1 1 1 1   33 31 o 70.30327 28.39245 140.3826       180.8244 25.42758       201.9540 605.1152       406.0598 62.46671 27.70441 109.9801 43.15191 -47.51336      51.27983 
1 1 1 1   33 32 o 113.6850 28.05452 484.1804       185.8900 484.6920       207.8589 482.1369       415.4425 111.0363 30.82778 99.77406 41.92158 11.26225       52.03625 
1 1 1 1   33 33 o 38.69487 17.08435 -8.785103      75.96264 -5.962503      77.19767 -94.88981      426.3762 39.32953 17.29908 73.33903 35.07282 -34.00950      39.10704 
1 1 1 1   33 34 o 122.0535 12.90871 465.2965       91.00385 426.7427       92.70828 1484.993       476.7828 116.3031 13.86447 166.8073 46.82870 -50.50426      48.83801 
1 1 1 1   33 35 o 59.79251 22.70286 109.0905       109.7484 109.0905       109.7484 0.000000       0.000000 59.79251 22.70286 ?        ?        0.000000       22.70286 
1 1 1 1   33 36 o 39.05823 18.56665 -106.8691      115.8166 -120.3007      118.5619 173.1366       541.3339 38.78569 18.53379 83.29071 39.74611 -44.50502      43.85492 
1 1 1 1   33 37 o 55.52624 23.05762 68.47369       123.5034 72.76753       126.2674 -26.39478      593.5118 56.33056 23.34608 78.70545 38.50648 -22.37489      45.03098 
1 1 1 1   34 0  o 163.3579 13.78915 798.3078       130.8752 728.5930       137.9357 1427.464       414.3750 155.6459 15.30873 209.7786 34.90689 -54.13275      38.11625 
1 1 1 1   34 1  f 129.8975 23.19964 527.1165       170.2531 542.6301       213.9869 500.3567       281.0428 130.0120 28.82125 123.4207 36.36737 6.591286       46.40313 
1 1 1 1   34 2  o 358.2614 13.33287 3816.021       279.6507 3816.021       279.6507 0.000000       0.000000 358.2614 13.33287 ?        ?        0.000000       13.33287 
1 1 1 1   34 3  o 308.4991 8.982054 2809.220       162.3370 2898.542       176.9391 2334.079       408.0905 313.2131 9.643864 274.7356 25.62288 38.47751       27.37766 
1 1 1 1   34 4  o 100.3282 21.67675 316.1118       123.8157 321.1982       131.6606 277.2045       364.1366 100.8988 22.78956 105.2202 40.98586 -4.321472      46.89567 
1 1 1 1   34 5  o 150.0321 14.18136 675.5377       123.3014 740.4128       131.1758 183.3312       361.3168 157.0756 14.39955 97.98299 39.92723 59.09259       42.44445 
1 1 1 1   34 6  o 363.8927 8.529751 3904.306       182.0372 4093.175       202.2547 3098.753       417.7008 372.4089 9.260362 318.3409 22.51823 54.06808       24.34800 
1 1 1 1   34 7  o 169.9360 12.61856 861.7012       124.8635 886.1502       133.7765 696.3477       347.9014 172.1669 13.35321 143.0682 39.94324 29.09871       42.11615 
1 1 1 1   34 8  o 103.8470 21.13166 338.1165       124.3163 338.1165       124.3163 0.000000       0.000000 103.8470 21.13166 ?        ?        0.000000       21.13166 
1 1 1 1   34 9  o 171.9509 11.30423 879.5679       113.3654 796.5485       119.0475 1687.490       371.3770 163.3282 12.52375 231.4017 27.92941 -68.07347      30.60876 
1 1 1 1   34 10 o 343.6444 8.721681 3486.803       175.6341 3486.803       175.6341 0.000000       0.000000 343.6444 8.721681 ?        ?        0.000000       8.721681 
1 1 1 1   34 11 o 88.49019 20.45874 246.6936       104.0532 246.6936       104.0532 0.000000       0.000000 88.49019 20.45874 ?        ?        0.000000       20.45874 
1 1 1 1   34 12 o 118.3523 14.60414 424.2724       99.22063 385.1725       106.1352 695.3603       279.4643 112.1467 16.64092 144.5683 33.60168 -32.42155      37.49658 
1 1 1 1   34 13 o 371.9935 9.103097 4087.839       198.5981 4087.839       198.5981 0.000000       0.000000 371.9935 9.103097 ?        ?        0.000000       9.103097 
1 1 1 1   34 14 o 253.7918 8.443972 1903.340       125.5075 2009.159       142.4379 1535.895       265.4228 260.5385 9.336969 223.7254 20.45498 36.81310       22.48522 
1 1 1 1   34 15 o 215.1230 8.981147 1370.140       113.0610 1296.621       127.9809 1631.458       241.2839 208.8986 10.47969 231.6224 17.90104 -22.72383      20.74298 
1 1 1 1   34 16 o 216.5624 8.964168 1389.155       113.6066 1425.410       132.0850 1286.089       222.7053 219.0235 10.31177 204.9286 18.73719 14.09499       21.38726 
1 1 1 1   34 17 o 189.8275 9.681050 1070.456       107.4226 1129.994       128.0914 929.3142       197.2194 194.6093 11.27115 173.2986 19.75704 21.31061       22.74598 
1 1 1 1   34 18 o 36.75478 16.81296 -50.32615      81.26292 -22.21428      104.7561 -92.80533      128.7723 45.47564 20.07107 44.81096 20.73815 0.6646805      28.86033 
1 1 1 1   34 19 o 111.3810 11.56236 374.1560       74.43042 335.3564       102.9896 416.5768       107.6885 103.5170 17.59309 116.1140 16.25874 -12.59704      23.95545 
1 1 1 1   34 20 o 143.7186 8.449055 614.2317       70.90086 646.6187       97.55042 577.9648       103.2282 146.6411 11.43317 138.1194 12.89257 8.521683       17.23182 
1 1 1 1   34 21 f 121.5341 8.461411 440.3171       59.93365 380.4935       88.75380 490.4640       81.25918 111.3655 13.89007 127.6189 10.96306 -16.25340      17.69528 
1 1 1 1   34 22 o 43.30751 17.84116 23.60515       73.14298 33.32675       74.91265 -174.8976      338.5085 45.20370 18.26799 70.04935 32.81816 -24.84565      37.55996 
1 1 1 1   34 23 o 69.62104 27.14107 126.6768       159.7831 184.2481       178.0933 -110.9060      361.7863 77.80824 29.05430 74.45555 34.56224 3.352684       45.15197 
1 1 1 1   34 24 o 115.6140 25.31483 455.5349       166.8793 494.1089       187.1818 306.0930       368.4280 119.2067 27.35502 96.75861 39.96931 22.44810       48.43391 
1 1 1 1   34 25 o 135.5001 21.49865 601.4781       165.1464 551.0487       185.0528 798.7716       366.0247 126.7828 25.76715 137.2945 41.75147 -10.51170      49.06253 
1 1 1 1   34 26 f 96.50060 27.92936 333.3742       167.0672 233.9690       189.0776 687.3202       356.7827 82.87225 30.10907 125.5043 41.59467 -42.63209      51.34854 
1 1 1 1   34 27 o 126.1497 21.46042 529.7173       153.0921 491.3676       169.2613 702.1608       358.9219 118.8911 25.06587 124.7075 41.72924 -5.816414      48.67881 
1 1 1 1   34 28 o 81.30473 26.92348 233.5770       149.4914 268.6669       163.1086 49.35655       373.7272 86.17596 28.10173 78.82713 36.05741 7.348831       45.71481 
1 1 1 1   34 29 o 64.54412 26.65926 95.28291       163.8829 89.87230       179.7723 121.8954       398.6963 65.58987 27.56879 82.61009 37.57757 -17.02022      46.60592 
1 1 1 1   34 30 o 60.22678 26.04434 47.50464       168.7182 62.17161       185.4060 -23.14498      406.9195 63.31637 27.34096 76.12054 35.76378 -12.80417      45.01751 
1 1 1 1   34 31 o 89.37543 28.47983 303.7249       168.1632 216.6698       182.6501 788.1245       430.8488 77.94305 29.35682 119.2799 45.05240 -41.33685      53.77306 
1 1 1 1   34 32 o 79.34619 28.65712 233.8726       170.9506 223.4666       187.7158 284.4468       413.8303 78.24234 29.69535 87.40735 39.15201 -9.165009      49.13954 
1 1 1 1   34 33 o 66.81870 27.23640 128.0508       168.1937 90.71009       181.9097 348.0270       441.5225 64.37159 27.42389 90.01149 40.37020 -25.63990      48.80392 
1 1 1 1   34 34 o 88.71121 29.41268 314.8988       178.3963 284.2493       191.1085 522.5605       497.4469 84.26144 30.31686 95.99616 42.96784 -11.73472      52.58657 
1 1 1 1   34 35 o 49.02707 23.41705 -148.4056      188.8151 -139.4551      201.5834 -212.4206      539.1027 51.17344 24.37358 73.58082 36.14244 -22.40738      43.59297 
1 1 1 1   34 36 o 93.44867 30.72960 366.9984       194.8594 397.5025       211.2720 193.2361       504.2440 95.87066 32.01440 82.00198 38.91113 13.86868       50.38847 
1 1 1 1   35 0  o 122.6465 17.97946 461.3417       125.4860 412.4582       132.3101 898.8975       395.8480 115.1491 20.33550 161.2191 41.59149 -46.07002      46.29670 
1 1 1 1   35 1  f 256.8062 9.784079 1951.621       147.0892 1940.601       157.4622 2027.092       412.0745 255.8994 10.51435 253.6520 28.17525 2.247345       30.07318 
1 1 1 1   35 2  o 232.7502 11.28251 1608.615       153.5504 1608.615       153.5504 0.000000       0.000000 232.7502 11.28251 ?        ?        0.000000       11.28251 
1 1 1 1   35 3  o 90.07713 23.08100 257.4816       122.4741 250.1699       128.9554 324.7841       391.2417 88.77186 24.13833 109.6845 42.55125 -20.91261      48.92104 
1 1 1 1   35 4  o 304.0067 12.19852 2747.651       217.0491 2871.091       251.1187 2383.060       431.5714 310.1674 13.83972 275.7957 27.02846 34.37170       30.36569 
1 1 1 1   35 5  o 79.31274 23.65437 196.3580       118.3199 94.92255       123.6345 1300.677       407.9362 63.71980 24.11879 197.6396 36.53952 -133.9198      43.78187 
1 1 1 1   35 6  o 347.3894 9.173438 3566.425       186.7321 3566.425       186.7321 0.000000       0.000000 347.3894 9.173438 ?        ?        0.000000       9.173438 
1 1 1 1   35 7  o 201.2391 12.01820 1206.368       141.1951 1206.368       141.1951 0.000000       0.000000 201.2391 12.01820 ?        ?        0.000000       12.01820 
1 1 1 1   35 8  o 69.21135 23.90714 136.6911       117.9233 62.14498       125.1207 729.2965       352.7763 59.55136 23.76615 145.1885 40.10470 -85.63710      46.61777 
1 1 1 1   35 9  o 240.5823 9.271006 1712.727       130.5652 1827.549       140.3145 971.5289       356.4970 248.4350 9.648627 169.4594 36.91740 78.97560       38.15744 
1 1 1 1   35 10 o 90.46483 20.16118 257.9671       104.2308 220.9158       108.7895 672.4779       363.8757 83.46849 21.93942 138.7160 41.50835 -55.24753      46.94977 
1 1 1 1   35 11 o 112.1543 17.79273 388.3004       113.1302 388.3004       113.1302 0.000000       0.000000 112.1543 17.79273 ?        ?        0.000000       17.79273 
1 1 1 1   35 12 o 235.2774 9.205388 1639.310       126.7751 1674.448       140.3178 1483.182       295.7759 237.5547 10.09461 217.9536 23.51074 19.60114       25.58625 
1 1 1 1   35 13 o 209.4332 9.868997 1302.054       120.8776 1240.389       132.6257 1604.596       293.7637 204.0655 11.12379 227.1669 22.33832 -23.10136      24.95475 
1 1 1 1   35 14 o 46.86876 20.29397 -5.790101      102.7047 9.227579       113.1005 -76.39965      245.2420 50.74826 21.62207 66.16049 29.84438 -15.41224      36.85378 
1 1 1 1   35 15 f 37.45121 17.53742 -89.74081      96.46899 -95.03644      104.0733 -57.42387      257.0959 38.97319 18.23893 68.68328 30.80503 -29.71009      35.79956 
1 1 1 1   35 16 o 33.45924 16.09450 -131.4638      92.75163 -198.2211      105.9252 87.96363       192.0416 33.03605 16.18471 70.83652 29.01579 -37.80048      33.22440 
1 1 1 1   35 17 o 291.3131 7.318764 2508.905       124.9408 2485.768       146.4175 2570.877       239.6303 289.5061 8.633169 291.7432 14.04651 -2.237091      16.48745 
1 1 1 1   35 18 o 37.65233 16.70589 -20.24765      73.50796 -65.30967      88.81538 77.74570       130.9728 37.24318 17.23125 61.22482 24.35457 -23.98165      29.83389 
1 1 1 1   35 19 o 64.59701 16.82580 132.8181       64.36806 116.1675       84.23829 156.1813       99.78378 61.53629 20.20303 69.97329 21.89204 -8.437004      29.78966 
1 1 1 1   35 20 o 145.0219 7.957838 625.5400       67.42352 650.7678       88.70750 591.0289       103.7530 147.2226 10.33965 139.3849 12.83620 7.837692       16.48261 
1 1 1 1   35 21 o 222.0283 6.508281 1458.470       84.65569 1454.197       105.7791 1466.083       141.1891 221.1406 8.170112 220.8399 10.93518 0.3006592      13.65023 
1 1 1 1   35 22 o 31.82640 14.65331 -42.78557      63.10646 -40.58902      64.13674 -109.5126      353.4979 32.38219 14.85894 73.29882 34.07264 -40.91663      37.17167 
1 1 1 1   35 23 o 65.22821 25.46070 109.5941       140.7535 123.8855       153.3634 33.25226       354.4589 68.20461 26.58986 79.49752 35.86838 -11.29292      44.64931 
1 1 1 1   35 24 o 180.5692 14.80859 1009.072       155.4458 1079.047       176.1359 762.6116       330.5601 185.7240 16.33705 135.8600 39.27591 49.86403       42.53817 
1 1 1 1   35 25 o 72.21169 26.46402 165.8831       146.5308 177.9648       163.2543 115.8109       332.3524 74.65327 27.82918 80.63303 35.66181 -5.979759      45.23525 
1 1 1 1   35 26 o 176.6820 15.39530 977.3318       157.9344 976.1572       180.1857 981.2262       328.0826 174.7278 17.83338 156.1505 36.48588 18.57721       40.61095 
1 1 1 1   35 27 o 65.45922 26.56164 106.9312       159.1090 205.1345       182.2488 -207.8054      326.2685 77.91539 29.32929 64.26217 30.71800 13.65322       42.47120 
1 1 1 1   35 28 o 53.75964 24.44442 -37.82592      168.5030 90.25680       189.8424 -513.4028      365.8124 66.41608 28.14415 58.59842 28.97019 7.817654       40.39016 
1 1 1 1   35 29 o 68.65939 27.08503 141.8317       160.7304 150.2535       174.1768 93.51773       417.1802 70.45369 28.06601 80.73410 37.35035 -10.28041      46.71991 
1 1 1 1   35 30 o 56.71504 25.07233 17.66553       164.1019 10.11399       178.5095 58.86310       416.9454 57.93587 25.84914 78.46525 36.65061 -20.52938      44.84914 
1 1 1 1   35 31 o 65.01578 26.95996 108.3953       168.5089 117.4600       184.9080 63.98412       409.2842 67.17370 28.07855 77.58583 36.26359 -10.41213      45.86342 
1 1 1 1   35 32 o 69.77930 28.46862 149.3051       183.9554 252.4226       200.2849 -406.8339      465.1292 80.96151 30.68587 66.58335 32.87133 14.37816       44.96828 
1 1 1 1   35 33 o 92.06940 30.43962 347.8957       191.1100 349.7729       207.8558 337.6339       485.9881 91.22468 31.72799 88.12315 40.60598 3.101524       51.53165 
1 1 1 1   35 34 o 133.0480 27.08845 668.1698       204.1772 727.2645       222.0932 345.5910       518.8945 137.2829 28.51769 88.15413 41.08001 49.12874       50.00826 
1 1 1 1   35 35 o 70.38277 29.22161 160.5467       198.3113 108.6795       214.7617 460.7289       516.6575 67.04874 29.18622 90.77776 41.84304 -23.72902      51.01642 
1 1 1 1   36 0  o 56.14868 22.93042 42.75788       119.4900 52.27502       127.5275 -25.68307      341.9865 58.70130 23.79434 81.86842 36.19314 -23.16711      43.31413 
1 1 1 1   36 1  o 126.2781 18.04457 490.0237       129.8412 490.0237       129.8412 0.000000       0.000000 126.2781 18.04457 ?        ?        0.000000       18.04457 
1 1 1 1   36 2  o 37.78393 18.11187 -156.2311      115.1734 -22.47314      122.1443 -1228.759      345.8737 49.60956 21.79239 46.87477 23.81204 2.734787       32.27881 
1 1 1 1   36 3  o 50.15881 23.32504 -131.7830      165.9077 -53.41043      185.7888 -440.3061      368.6222 59.04370 26.35532 67.17040 32.25192 -8.126698      41.65080 
1 1 1 1   36 4  o 102.1796 20.98624 329.0282       121.5499 440.8780       128.3502 -643.3755      378.4446 119.3397 18.97277 62.35729 30.55828 56.98241       35.96908 
1 1 1 1   36 5  o 90.87584 22.97982 263.5241       122.5299 243.4899       129.7639 428.3298       372.1805 87.36716 24.39541 115.9350 42.22492 -28.56787      48.76556 
1 1 1 1   36 6  f 187.9892 12.15894 1055.050       133.3347 993.4713       140.8100 1589.264       414.7385 182.0848 13.27712 219.8914 33.19266 -37.80666      35.74961 
1 1 1 1   36 7  o 196.3114 11.81496 1149.423       135.3984 1262.974       145.4828 414.4970       370.1166 205.7256 12.11152 114.2714 42.02896 91.45422       43.73925 
1 1 1 1   36 8  o 236.7294 10.23359 1663.646       141.7437 1602.793       151.2489 2102.653       406.2436 232.0876 11.14450 257.1492 27.35649 -25.06168      29.53942 
1 1 1 1   36 9  o 214.4181 14.34008 1382.711       179.2915 1382.711       179.2915 0.000000       0.000000 214.4181 14.34008 ?        ?        0.000000       14.34008 
1 1 1 1   36 10 o 308.5214 9.285365 2819.700       167.8186 2819.700       167.8186 0.000000       0.000000 308.5214 9.285365 ?        ?        0.000000       9.285365 
1 1 1 1   36 11 o 160.9621 12.40734 777.2736       116.2225 775.0756       122.0134 798.7950       381.7869 160.5353 13.07251 148.0249 42.02599 12.51038       44.01220 
1 1 1 1   36 12 o 38.67164 18.07290 -90.73976      101.6064 -142.2736      109.4679 229.8838       273.0475 37.06664 17.73845 91.80762 35.56631 -54.74097      39.74437 
1 1 1 1   36 13 o 38.04287 17.82462 -92.52820      99.89381 -12.28910      107.5718 -595.1855      269.2410 47.06613 20.56889 48.70878 24.21429 -1.642647      31.77123 
1 1 1 1   36 14 o 91.63455 19.02997 267.0189       98.92206 210.1824       109.7796 512.4648       228.1319 80.58669 22.41486 121.7534 31.65769 -41.16673      38.78963 
1 1 1 1   36 15 o 145.0233 11.51829 632.6438       97.16201 524.5799       108.4044 1074.076       219.0980 131.0470 14.33865 184.7168 20.57342 -53.66978      25.07713 
1 1 1 1   36 16 o 79.26893 19.75872 203.0600       91.52885 215.2146       104.5318 163.1190       189.4916 81.20917 21.58142 77.21992 29.70477 3.989243       36.71691 
1 1 1 1   36 17 o 89.41891 17.18410 253.5290       86.84343 321.0073       99.70506 41.42422       176.7707 100.7630 17.50694 63.42463 27.02754 37.33834       32.20219 
1 1 1 1   36 18 f 112.8563 13.75723 391.4228       89.17631 389.3674       112.9401 394.8260       145.3245 110.8328 17.99159 109.0072 23.42952 1.825539       29.54048 
1 1 1 1   36 19 o 48.86647 17.64241 64.74071       64.78465 62.22070       83.57801 68.53401       102.5415 51.37497 19.73677 55.29804 21.68836 -3.923069      29.32448 
1 1 1 1   36 20 o 170.4710 7.362264 863.0647       73.43235 922.0604       95.65565 778.4056       114.5875 175.5510 9.324324 160.0638 12.30085 15.48720       15.43547 
1 1 1 1   36 21 o 69.29420 16.20075 154.0269       64.65397 -12.13275      179.6587 178.7472       69.29671 58.60070 26.05215 74.71555 16.27594 -16.11485      30.71841 
1 1 1 1   36 22 o 33.84910 14.87263 -9.741500      56.92062 -5.237697      57.74894 -163.3705      337.2802 34.73892 15.12803 68.60802 32.33511 -33.86909      35.69897 
1 1 1 1   36 23 o 57.25733 24.96197 17.56948       157.6013 -76.80893      180.8549 315.4210       321.2874 53.78580 24.77914 93.47503 37.81178 -39.68923      45.20771 
1 1 1 1   36 24 o 151.3687 19.30302 744.0835       167.4676 715.6270       194.7605 824.8096       328.0321 145.0110 23.72004 139.7524 38.69942 5.258652       45.39037 
1 1 1 1   36 25 o 96.26505 28.68076 343.2909       174.0164 379.7672       202.0033 238.3305       342.6618 99.55382 31.14863 87.12274 37.38964 12.43108       48.66439 
1 1 1 1   36 26 o 53.65769 24.36954 -36.74035      166.8665 18.79482       192.0357 -207.9238      337.1544 61.01260 27.03983 64.92027 31.08476 -3.907673      41.19969 
1 1 1 1   36 27 o 87.07140 29.24243 285.8177       176.2406 427.6430       202.7528 -152.6004      356.4791 104.4266 30.92027 67.92778 32.37001 36.49883       44.76472 
1 1 1 1   36 28 o 76.99818 29.02464 209.4017       178.6212 294.3698       199.8129 -128.6363      398.5460 87.02991 31.03632 71.15576 33.99606 15.87415       46.03244 
1 1 1 1   36 29 o 104.5539 28.48263 420.4082       179.3541 554.1617       198.8940 -161.7368      414.9392 120.6379 28.55753 70.44468 33.92493 50.19322       44.34449 
1 1 1 1   36 30 o 44.48915 21.62786 -225.2988      178.9600 -168.6461      194.3734 -540.6087      458.5591 49.27181 23.59475 63.68779 31.65068 -14.41598      39.47756 
1 1 1 1   36 31 o 66.68902 28.29779 112.0009       192.3560 50.11530       213.1705 383.2802       446.3140 63.65115 28.33288 90.54321 40.60022 -26.89207      49.50889 
1 1 1 1   36 32 o 124.3538 30.35085 620.7009       219.3761 874.8518       249.3005 -251.4111      461.8100 149.9544 29.39871 69.12209 33.84906 80.83227       44.83350 
1 1 1 1   36 33 o 121.4017 31.12967 605.2831       222.6746 786.8753       249.1915 -114.3265      496.0588 139.1847 31.29019 73.75018 35.88805 65.43452       47.61332 
1 1 1 1   37 0  o 246.7680 13.26448 1823.822       191.2629 1612.032       217.5284 2545.391       401.5161 230.7726 16.17484 285.0522 24.24743 -54.27965      29.14726 
1 1 1 1   37 1  o 286.1206 9.813224 2427.863       164.4251 2427.863       164.4251 0.000000       0.000000 286.1206 9.813224 ?        ?        0.000000       9.813224 
1 1 1 1   37 2  o 262.0388 9.630966 2036.079       147.7565 1996.780       161.6175 2236.155       364.6660 259.1725 10.65556 267.5467 23.47823 -8.374176      25.78310 
1 1 1 1   37 3  o 216.7436 11.85529 1402.397       150.1247 1402.397       150.1247 0.000000       0.000000 216.7436 11.85529 ?        ?        0.000000       11.85529 
1 1 1 1   37 4  f 339.9213 12.23419 3447.943       243.4980 3532.537       294.0187 3263.242       434.4499 342.7864 14.65901 323.6511 23.03886 19.13538       27.30707 
1 1 1 1   37 5  o 51.35287 22.41086 -12.56471      127.3139 -12.56471      127.3139 0.000000       0.000000 51.35287 22.41086 ?        ?        0.000000       22.41086 
1 1 1 1   37 6  o 133.9938 16.69170 550.6637       128.3342 597.2383       136.4127 192.0127       378.5439 139.5004 17.02593 96.73652 40.28527 42.76389       43.73540 
1 1 1 1   37 7  o 41.82972 19.63303 -114.8872      122.0940 -114.8872      122.0940 0.000000       0.000000 41.82972 19.63303 ?        ?        0.000000       19.63303 
1 1 1 1   37 8  o 31.81359 15.80417 -268.4976      113.8981 -319.7710      120.0660 192.4319       359.9905 31.27998 15.64635 94.81317 39.36835 -63.53320      42.36361 
1 1 1 1   37 9  o 96.10820 19.65194 293.3840       107.0277 298.6999       112.5617 243.2753       345.5900 96.72231 20.48186 96.94594 39.21579 -0.2236328     44.24234 
1 1 1 1   37 10 o 233.4317 9.002133 1617.787       123.0102 1655.229       130.8121 1331.697       361.5952 235.9666 9.471754 198.0611 32.23721 37.90546       33.59988 
1 1 1 1   37 11 o 216.4697 9.396886 1394.109       119.0134 1393.396       125.8020 1400.187       367.2599 216.2276 9.946967 202.6946 31.95139 13.53304       33.46392 
1 1 1 1   37 12 o 94.69997 18.43099 284.6866       98.68005 317.5027       105.6803 61.31062       275.7202 100.0371 18.70021 77.12356 33.32248 22.91356       38.21107 
1 1 1 1   37 13 o 123.6808 14.26362 468.7884       101.5694 478.4794       110.0304 412.9466       264.1243 124.5380 15.39193 107.2085 35.79541 17.32952       38.96438 
1 1 1 1   37 14 o 161.6948 10.90302 785.6354       102.7891 817.7888       113.3460 636.7476       243.9057 164.6421 11.81716 134.2196 31.52540 30.42250       33.66743 
1 1 1 1   37 15 o 175.9258 9.695329 925.5983       99.64603 906.0992       114.1741 987.9255       204.1263 173.4607 11.28444 176.3542 20.09422 -2.893478      23.04595 
1 1 1 1   37 16 o 223.9810 8.179952 1491.586       107.2710 1529.865       124.3622 1380.323       212.0236 226.3500 9.388608 210.4848 17.32899 15.86516       19.70888 
1 1 1 1   37 17 o 78.32436 18.87738 199.5387       85.68877 185.2206       97.41106 248.5204       180.1699 75.00952 21.20511 85.64175 29.55220 -10.63223      36.37292 
1 1 1 1   37 18 o 33.72127 15.69606 -60.64688      75.40765 -74.07981      89.20699 -27.02090      141.1403 36.30361 16.95574 51.37218 22.94834 -15.06857      28.53284 
1 1 1 1   37 19 o 89.61910 13.92919 250.2772       70.83440 126.4342       88.43143 471.9936       118.3232 63.21543 20.69667 122.2215 16.96385 -59.00608      26.76050 
1 1 1 1   37 20 o 97.12481 12.30808 290.1292       68.53658 249.6452       95.27351 333.5478       98.66620 87.27026 19.14240 102.2282 17.05753 -14.95792      25.63963 
1 1 1 1   37 21 o 93.95457 13.66216 275.2433       73.07720 272.9653       74.89778 320.4005       333.4659 93.37643 14.11694 94.05076 38.34526 -0.6743317     40.86132 
1 1 1 1   37 22 o 53.95021 15.64705 92.98928       52.38643 118.3040       53.12964 -792.8976      314.2964 60.64703 15.01736 47.95324 24.16500 12.69379       28.45116 
1 1 1 1   37 23 o 72.03142 27.66864 160.7957       164.2385 312.6150       192.7140 -242.1029      313.9407 91.27894 30.57767 61.97716 29.75980 29.30178       42.66895 
1 1 1 1   37 24 o 60.97750 25.85411 62.76553       160.3571 187.9616       183.3133 -345.2964      330.9494 75.76865 29.19822 59.94271 29.20142 15.82594       41.29478 
1 1 1 1   37 25 o 64.87720 26.58280 104.0684       161.2478 150.4929       181.6729 -68.26811      350.0296 71.27510 28.57253 70.82462 33.24211 0.4504852      43.83408 
1 1 1 1   37 26 o 58.82061 25.49430 42.76272       162.4095 2.633656       178.2787 238.5437       393.7814 57.57769 25.75087 86.11431 38.40876 -28.53662      46.24219 
1 1 1 1   37 27 o 60.24091 25.96734 56.58455       166.6723 96.75727       183.2889 -135.3254      400.6077 65.43597 27.68805 70.62288 33.83356 -5.186905      43.71885 
1 1 1 1   37 28 o 60.85170 26.00503 68.83037       164.4796 80.92576       180.2936 8.814308       401.6097 63.48391 27.18048 75.06516 35.34935 -11.58125      44.59097 
1 1 1 1   37 29 o 80.94797 28.57413 250.0798       168.9880 176.6142       186.1423 594.4564       403.0138 72.65664 28.99069 103.9388 42.23739 -31.28214      51.22946 
1 1 1 1   37 30 o 77.65294 28.83296 228.4191       174.9127 204.0884       190.5449 358.7173       440.9504 75.12299 29.53447 88.78372 40.03679 -13.66074      49.75167 
1 1 1 1   37 31 f 75.96149 29.32821 215.2331       185.2022 258.0697       203.8610 12.83616       443.1273 80.66989 30.86654 75.28171 35.93425 5.388184       47.37102 
1 1 1 1   37 32 o 121.6312 28.08600 575.6296       196.3010 545.3175       216.6491 714.6370       463.9466 114.1589 31.38751 104.5475 44.13505 9.611343       54.15790 
1 1 1 1   38 0  o 63.35443 27.72832 -4.618740      196.1269 -4.618740      196.1269 0.000000       0.000000 63.35443 27.72832 ?        ?        0.000000       27.72832 
1 1 1 1   38 1  o 86.71242 24.81815 245.4356       132.6156 245.4356       132.6156 0.000000       0.000000 86.71242 24.81815 ?        ?        0.000000       24.81815 
1 1 1 1   38 2  o 135.3600 16.55094 564.2289       128.6604 564.2289       128.6604 0.000000       0.000000 135.3600 16.55094 ?        ?        0.000000       16.55094 
1 1 1 1   38 3  o 232.8167 10.17996 1614.798       138.6626 1692.317       149.9040 1155.320       364.9562 238.1317 10.76141 181.6129 35.53753 56.51877       37.13117 
1 1 1 1   38 4  o 126.2417 16.61351 492.4564       120.0202 434.7106       126.0379 1054.226       393.1154 117.6138 18.91339 168.9940 40.24368 -51.38014      44.46650 
1 1 1 1   38 5  o 91.31960 21.69517 270.3393       114.4627 214.2983       119.7318 865.3472       390.1378 81.22202 23.68388 150.3883 42.41031 -69.16631      48.57531 
1 1 1 1   38 6  o 172.7253 12.43068 898.9420       125.0797 865.1003       131.8698 1202.402       394.8844 169.0570 13.41010 181.9405 38.22475 -12.88353      40.50880 
1 1 1 1   38 7  o 289.6306 11.95400 2516.900       202.6160 2550.631       236.8064 2424.730       391.4476 290.3875 13.94557 274.5112 24.57404 15.87634       28.25530 
1 1 1 1   38 8  o 141.2735 14.62289 610.5569       119.4063 610.5569       119.4063 0.000000       0.000000 141.2735 14.62289 ?        ?        0.000000       14.62289 
1 1 1 1   38 9  o 31.85393 15.68824 -208.7032      103.8059 -248.0836      107.7096 305.2397       389.1095 31.03804 15.41037 100.6817 41.27842 -69.64365      44.06118 
1 1 1 1   38 10 o 96.61054 19.07785 299.1098       104.2575 257.3886       108.2986 827.0695       385.2522 88.75942 21.11340 143.5722 42.64977 -54.81281      47.58968 
1 1 1 1   38 11 o 36.01211 17.26470 -135.0647      104.7238 -114.8198      108.9142 -383.0753      381.2084 38.32765 18.15684 67.10194 32.36567 -28.77430      37.11075 
1 1 1 1   38 12 o 136.4285 13.36188 568.4643       105.5417 509.6834       113.5084 943.6637       286.7748 128.2838 15.39423 164.0211 30.94633 -35.73730      34.56382 
1 1 1 1   38 13 o 135.7631 13.01905 562.4719       102.3912 646.4803       111.3526 102.6572       260.5135 145.5542 13.18738 76.94446 32.80049 68.60979       35.35221 
1 1 1 1   38 14 f 75.56804 20.25130 187.3318       91.56522 112.6841       100.3594 558.1404       223.6788 61.83541 22.00164 124.6469 30.78288 -62.81144      37.83726 
1 1 1 1   38 15 o 172.1483 9.531424 887.7171       95.85450 921.9988       108.9325 770.1074       201.7659 174.9908 10.66496 152.6557 23.27122 22.33507       25.59865 
1 1 1 1   38 16 o 81.02299 18.22793 213.0321       84.51326 203.1259       96.45229 245.7805       175.3698 78.33749 20.68999 84.74155 29.15942 -6.404068      35.75399 
1 1 1 1   38 17 o 92.66288 16.12779 272.5208       84.46384 257.9245       95.27771 326.0953       182.5356 88.94814 18.85072 95.16284 29.58432 -6.214706      35.07965 
1 1 1 1   38 18 o 106.5431 13.04493 350.4453       79.81277 385.7351       91.67290 239.9162       162.2388 111.2712 14.38398 83.11292 28.05737 28.15828       31.52959 
1 1 1 1   38 19 o 143.4173 9.524311 619.0965       79.65591 589.2261       97.10447 680.5480       139.2788 138.8353 12.04490 146.8049 16.45997 -7.969604      20.39632 
1 1 1 1   38 20 o 50.26247 17.33957 75.24406       62.02534 43.17735       83.21381 115.3316       93.04070 47.70485 19.26257 60.86183 21.22374 -13.15698      28.66171 
1 1 1 1   38 21 o 168.1222 8.576728 847.1436       84.28683 870.1002       86.41981 399.2365       381.7278 170.3465 8.678868 98.11328 40.62122 72.23326       41.53801 
1 1 1 1   38 22 o 100.4740 10.46832 308.0000       60.78165 308.0000       60.78165 0.000000       0.000000 100.4740 10.46832 ?        ?        0.000000       10.46832 
1 1 1 1   38 23 o 74.64768 34.17118 39.62008       336.4816 0.000000       0.000000 39.62008       336.4816 ?        ?        74.64768 34.17118 0.000000       34.17118 
1 1 1 1   38 24 o 58.77326 26.26945 6.768254       185.2285 39.66934       221.4936 -69.76298      337.8123 64.98432 28.90627 69.28131 32.56155 -4.296989      43.54110 
1 1 1 1   38 25 o 114.4050 28.42369 496.4552       189.8634 502.7207       221.1191 478.8723       370.4175 111.2704 32.10944 99.51078 40.47278 11.75962       51.66296 
1 1 1 1   38 26 o 136.5910 24.28278 662.8250       187.3948 873.6399       221.4593 131.2725       351.6547 156.3768 24.98817 77.86263 35.36827 78.51419       43.30501 
1 1 1 1   38 27 o 83.69603 30.00762 273.7114       187.0449 255.7715       210.8197 340.0642       405.4441 81.50967 31.33787 89.19183 39.42054 -7.682159      50.35912 
1 1 1 1   38 28 o 120.1107 28.21891 555.4150       195.3842 541.1812       219.8807 608.8306       425.9525 114.4138 31.68443 102.7217 42.75207 11.69218       53.21318 
1 1 1 1   38 29 o 59.46112 26.70232 21.24373       193.8447 -62.53827      216.6660 357.2857       433.9225 56.85081 26.51013 88.29321 39.77483 -31.44240      47.79983 
1 1 1 1   38 30 o 78.25854 30.20593 236.6316       196.4102 202.1865       217.8938 385.9211       453.6237 75.27888 30.87936 89.13529 40.36201 -13.85641      50.81955 
1 1 1 1   38 31 f 88.09908 31.40576 331.9969       204.5793 467.7733       228.2713 -222.1283      461.1509 102.2600 33.23738 68.70644 33.68267 33.55354       47.32067 
1 1 1 1   39 0  o 144.1164 16.35606 643.3323       135.8008 643.3323       135.8008 0.000000       0.000000 144.1164 16.35606 ?        ?        0.000000       16.35606 
1 1 1 1   39 1  o 95.16000 22.97740 299.3411       126.7716 299.3411       126.7716 0.000000       0.000000 95.16000 22.97740 ?        ?        0.000000       22.97740 
1 1 1 1   39 2  o 142.6759 16.09954 629.8657       132.3648 629.8657       132.3648 0.000000       0.000000 142.6759 16.09954 ?        ?        0.000000       16.09954 
1 1 1 1   39 3  f 93.27987 21.28295 284.3444       113.8510 312.7224       120.3338 42.05487       351.6122 97.80399 21.56024 81.92297 36.43182 15.88103       42.33345 
1 1 1 1   39 4  o 107.5930 20.02655 372.4124       121.7199 372.4124       121.7199 0.000000       0.000000 107.5930 20.02655 ?        ?        0.000000       20.02655 
1 1 1 1   39 5  o 85.44772 22.51186 241.5196       114.3689 228.9508       120.0088 365.8925       377.5107 83.04617 23.55683 103.3621 41.27135 -20.31595      47.52103 
1 1 1 1   39 6  o 189.7985 10.66662 1081.140       118.2549 1090.753       125.6369 1006.478       350.1472 190.3762 11.30351 163.7998 37.28864 26.57640       38.96424 
1 1 1 1   39 7  o 225.6263 10.35118 1525.149       136.6065 1525.149       136.6065 0.000000       0.000000 225.6263 10.35118 ?        ?        0.000000       10.35118 
1 1 1 1   39 8  o 34.33649 16.68748 -169.4916      106.3339 -184.7752      112.3464 -38.06001      329.4554 34.93947 17.01937 75.00564 34.13428 -40.06617      38.14194 
1 1 1 1   39 9  o 57.88332 22.05168 84.93805       103.7580 59.20290       108.5195 359.0487       354.1664 54.93793 22.06244 100.9649 40.08601 -46.02700      45.75630 
1 1 1 1   39 10 o 188.7949 10.71422 1072.090       118.1449 1042.192       124.4026 1347.047       377.2564 185.7953 11.47276 191.3365 34.90498 -5.541290      36.74210 
1 1 1 1   39 11 o 139.4212 14.39517 599.3781       116.0148 655.2056       121.1455 -18.15280      402.9142 145.8478 14.34863 81.17368 37.24571 64.67416       39.91398 
1 1 1 1   39 12 o 195.1094 10.21888 1143.417       116.5241 1095.018       126.9272 1402.890       293.8886 190.3630 11.42151 204.9341 24.96689 -14.57106      27.45536 
1 1 1 1   39 13 o 145.3749 11.99619 642.6223       101.3687 680.0726       109.6746 423.0861       265.5411 149.2861 12.64554 104.9721 35.88892 44.31395       38.05160 
1 1 1 1   39 14 o 78.13509 20.21780 202.1767       93.34879 253.5801       101.5399 -78.41624      237.2354 87.60810 20.17874 61.81971 28.44391 25.78839       34.87460 
1 1 1 1   39 15 o 31.48424 15.20566 -122.4051      84.80579 -121.3489      95.07168 -126.5185      187.6247 34.21589 16.41576 52.05832 24.40330 -17.84243      29.41085 
1 1 1 1   39 16 o 70.11515 19.77554 162.7340       84.82058 123.0120       97.65325 284.7776       171.1705 62.76395 21.75187 88.96758 28.77107 -26.20362      36.06825 
1 1 1 1   39 17 o 43.03426 18.36525 11.47852       81.83007 45.00433       92.61944 -107.7937      174.6957 49.67438 20.22514 50.71136 23.69900 -1.036980      31.15604 
1 1 1 1   39 18 o 53.93739 19.09509 86.34026       75.51068 76.05004       85.55856 122.5942       160.5937 53.25516 20.08490 67.46109 26.92439 -14.20593      33.59056 
1 1 1 1   39 19 o 139.1243 9.703251 584.6074       78.67559 643.2817       95.74911 462.6531       138.0414 145.2175 11.33223 117.7630 20.74463 27.45456       23.63808 
1 1 1 1   39 20 o 89.00991 12.56838 246.7008       63.78606 234.3659       82.18370 265.3886       101.1577 84.72945 17.12834 88.87003 19.90415 -4.140587      26.25939 
1 1 1 1   39 21 o 82.88657 13.77978 217.2921       64.63394 229.9567       65.46011 -274.9551      408.1070 85.42943 13.51435 68.10176 33.00238 17.32767       35.66223 
1 1 1 1   39 22 o 103.7540 28.37852 407.9938       177.6303 464.5254       200.9342 205.8050       380.0029 109.0981 30.31755 84.07700 37.59940 25.02109       48.29978 
1 1 1 1   39 23 o 46.13522 22.28333 -204.0061      182.2184 -180.1645      207.6416 -283.8760      380.0473 50.88372 24.37202 64.80463 31.50711 -13.92092      39.83332 
1 1 1 1   39 24 o 65.50607 27.96423 94.32531       189.8334 137.7401       214.2531 -64.22552      409.4421 70.93385 29.97114 72.98193 34.75402 -2.048080      45.89239 
1 1 1 1   39 25 o 141.9201 45.64465 1110.573       431.2050 0.000000       0.000000 1110.573       431.2050 ?        ?        141.9201 45.64465 0.000000       45.64465 
1 1 1 1   39 26 o 60.48859 26.16113 62.41411       170.2810 146.9785       189.9794 -283.1068      384.0164 69.68528 28.73527 63.92986 31.21216 5.755424       42.42540 
1 1 1 1   39 27 o 128.7108 25.09101 606.2772       182.5937 681.6731       200.8809 247.8223       438.0082 135.4171 26.24159 83.67422 38.55362 51.74293       46.63693 
1 1 1 1   39 28 o 65.40266 27.60657 112.1215       181.4846 236.1040       199.0895 -497.3721      441.4207 78.24032 30.35355 62.22996 30.94742 16.01036       43.34837 
1 1 1 1   39 29 o 59.56181 26.58111 34.80124       188.8840 149.8134       203.2573 -693.2036      511.3772 69.77563 29.32038 62.65504 31.47405 7.120594       43.01512 
1 1 1 1   40 0  o 214.7650 11.42282 1390.893       143.3582 1390.893       143.3582 0.000000       0.000000 214.7650 11.42282 ?        ?        0.000000       11.42282 
1 1 1 1   40 1  o 160.9754 15.19632 800.4580       141.7679 800.4580       141.7679 0.000000       0.000000 160.9754 15.19632 ?        ?        0.000000       15.19632 
1 1 1 1   40 2  o 72.44250 25.50631 164.6639       134.5844 164.6639       134.5844 0.000000       0.000000 72.44250 25.50631 ?        ?        0.000000       25.50631 
1 1 1 1   40 3  f 193.9363 13.02954 1144.811       147.3369 1144.811       147.3369 0.000000       0.000000 193.9363 13.02954 ?        ?        0.000000       13.02954 
1 1 1 1   40 4  o 59.24731 23.47027 79.15768       121.1549 -38.70212      127.8095 1123.369       380.4297 47.97433 21.60136 169.3325 39.09780 -121.3581      44.66830 
1 1 1 1   40 5  o 180.5300 11.42323 984.6578       120.3251 991.4065       127.1049 926.4131       373.4081 180.8511 12.05247 150.4134 41.14756 30.43776       42.87638 
1 1 1 1   40 6  o 274.7407 8.641267 2249.588       139.0627 2201.903       147.3256 2639.273       421.1566 271.4836 9.266617 280.5543 25.88804 -9.070618      27.49656 
1 1 1 1   40 7  o 148.0650 13.30761 671.3270       114.3273 568.2051       120.2333 1644.308       369.3189 135.1333 15.44817 216.5825 29.87004 -81.44920      33.62835 
1 1 1 1   40 8  o 150.3641 13.36506 692.7583       116.6331 634.3205       123.0723 1207.779       365.3643 143.1042 14.88126 178.3877 36.16239 -35.28354      39.10460 
1 1 1 1   40 9  o 100.6847 19.65823 330.6259       111.9136 323.6345       116.8180 408.6833       390.3328 99.04275 20.77537 103.1383 41.69281 -4.095596      46.58225 
1 1 1 1   40 10 o 109.6082 24.15017 409.2986       151.0474 469.7975       162.9606 40.31649       402.4497 117.4414 24.45549 82.57547 37.63627 34.86590       44.88385 
1 1 1 1   40 11 o 86.50915 22.96579 254.5641       118.4509 273.4631       123.7515 48.01891       409.1083 89.50458 23.33822 82.89236 37.84419 6.612221       44.46184 
1 1 1 1   40 12 o 201.0933 10.37233 1218.900       121.9143 1254.735       135.0439 1061.027       283.4478 203.4880 11.36091 172.7700 29.00052 30.71803       31.14644 
1 1 1 1   40 13 o 110.7330 16.38072 389.6571       103.1747 450.4048       111.2897 18.09290       275.2370 119.2002 16.34978 70.58437 31.74778 48.61581       35.71046 
1 1 1 1   40 14 o 171.8275 10.46839 893.0439       104.9923 888.8207       114.9687 914.2588       257.6776 170.8618 11.54090 159.5640 28.58528 11.29781       30.82710 
1 1 1 1   40 15 o 147.3826 11.55208 662.9019       99.05459 741.4526       111.9895 380.5680       212.3164 155.4716 12.38447 99.20718 32.03968 56.26447       34.34991 
1 1 1 1   40 16 o 117.2293 14.10486 429.5395       95.02812 515.1732       112.0797 210.5672       179.2252 127.8797 15.24406 78.47939 29.17741 49.40027       32.91964 
1 1 1 1   40 17 o 59.64671 20.16429 113.2589       83.79722 120.6397       95.20966 87.88932       176.5170 61.68242 21.47223 65.06412 27.33109 -3.381702      34.75695 
1 1 1 1   40 18 o 263.3391 7.551015 2068.437       116.4991 2171.497       137.1353 1801.199       220.8272 269.0841 8.701257 238.9589 15.84671 30.12520       18.07845 
1 1 1 1   40 19 o 92.15924 14.47469 269.7201       75.65885 272.7974       91.28886 262.9693       135.2097 91.05223 17.73320 85.31930 25.24694 5.732933       30.85246 
1 1 1 1   40 20 o 89.46812 12.88545 250.9749       65.66415 232.3596       82.96243 282.1946       107.4385 83.89997 17.43055 90.83076 20.63920 -6.930786      27.01482 
1 1 1 1   40 21 o 48.65562 23.37476 -186.6119      194.2273 -115.9069      217.5202 -464.7216      431.4025 55.12774 25.97739 63.94349 31.58462 -8.815750      40.89515 
1 1 1 1   40 22 o 57.54504 25.78025 7.438019       179.5091 87.76364       198.6294 -350.5613      419.3316 65.65701 28.32515 65.30706 32.03727 0.3499451      42.76331 
1 1 1 1   40 23 o 68.64362 27.43912 146.7486       167.0549 118.3202       181.5970 303.2254       426.0474 66.76552 27.86088 87.57790 39.43594 -20.81239      48.28480 
1 1 1 1   40 24 o 138.3414 25.58639 698.8217       199.9481 684.0942       216.9630 781.8239       515.0704 133.5639 28.56264 108.3410 46.15067 25.22290       54.27438 
1 1 1 1   40 25 o 149.0653 24.27928 798.9860       204.9589 761.8498       220.3510 1037.287       558.1870 141.9378 27.46378 117.0206 48.84016 24.91724       56.03232 
1 1 1 1   40 26 o 86.22778 30.63995 306.3554       194.5770 287.8714       205.0804 473.0645       615.8940 83.75304 31.19699 91.81931 43.40180 -8.066269      53.45062 
1 1 1 1   40 27 f 72.41135 29.52553 180.2100       197.7305 180.2100       197.7305 0.000000       0.000000 72.41135 29.52553 ?        ?        0.000000       29.52553 
1 1 1 1   41 0  o 161.3234 14.85678 806.1277       138.9857 806.1277       138.9857 0.000000       0.000000 161.3234 14.85678 ?        ?        0.000000       14.85678 
1 1 1 1   41 1  o 223.6866 17.18895 1570.650       223.7686 1570.650       223.7686 0.000000       0.000000 223.6866 17.18895 ?        ?        0.000000       17.18895 
1 1 1 1   41 2  o 239.8079 11.20886 1737.022       157.2072 1737.022       157.2072 0.000000       0.000000 239.8079 11.20886 ?        ?        0.000000       11.20886 
1 1 1 1   41 3  o 198.5169 18.81040 1255.698       216.3883 1255.698       216.3883 0.000000       0.000000 198.5169 18.81040 ?        ?        0.000000       18.81040 
1 1 1 1   41 4  o 239.0025 10.09973 1716.661       141.2481 1692.379       151.2269 1882.652       395.3930 236.8212 10.91762 230.1770 30.00323 6.644180       31.92786 
1 1 1 1   41 5  o 149.3864 15.26852 695.3612       131.8906 695.3612       131.8906 0.000000       0.000000 149.3864 15.26852 ?        ?        0.000000       15.26852 
1 1 1 1   41 6  o 69.18301 23.78189 154.2281       116.6423 97.59788       122.8745 670.3787       370.9593 61.34456 23.83292 122.6602 42.40091 -61.31560      48.63995 
1 1 1 1   41 7  f 120.0034 16.26987 455.2798       111.5593 453.4167       117.4070 472.5969       357.9489 119.2119 17.29741 105.9485 40.80811 13.26342       44.32270 
1 1 1 1   41 8  o 63.60762 23.61720 118.9137       117.3529 118.9137       117.3529 0.000000       0.000000 63.60762 23.61720 ?        ?        0.000000       23.61720 
1 1 1 1   41 9  o 142.7835 14.36063 633.9338       118.6233 631.5557       125.5749 653.6473       361.5428 141.9639 15.32511 120.0160 41.83840 21.94794       44.55682 
1 1 1 1   41 10 o 137.8407 14.45894 592.3782       115.1488 580.1874       120.6423 717.1669       385.9850 135.8637 15.41270 123.1805 43.20922 12.68318       45.87579 
1 1 1 1   41 11 o 40.66977 18.86165 -69.15560      107.3735 -22.47599      114.9777 -387.4509      300.2376 46.21854 20.67461 55.83320 27.33127 -9.614666      34.27007 
1 1 1 1   41 12 o 74.66625 22.44017 190.4252       106.1759 262.8251       113.6465 -306.5816      297.7614 87.52247 22.13074 57.99968 28.12643 29.52279       35.78918 
1 1 1 1   41 13 o 35.29239 16.91203 -120.8347      100.2385 -150.7014      106.9703 94.30324       287.0967 35.07088 16.97173 74.98395 33.15506 -39.91307      37.24644 
1 1 1 1   41 14 o 110.3968 16.12613 389.5093       101.3281 316.9657       108.2664 901.6927       287.6781 97.52098 19.61021 151.9637 33.20864 -54.44275      38.56649 
1 1 1 1   41 15 o 149.4787 11.75509 684.9189       102.2232 742.2520       114.4164 458.1171       227.5669 155.0967 12.68952 106.5641 33.01687 48.53259       35.37143 
1 1 1 1   41 16 o 66.65289 20.93722 149.5916       91.17716 167.7015       105.9876 98.03407       178.8309 70.04608 22.63857 65.73869 27.55527 4.307388       35.66227 
1 1 1 1   41 17 o 31.73747 15.33352 -120.2913      86.43011 -91.54537      99.14737 -211.2799      176.3952 36.81628 17.40596 45.01067 21.78479 -8.194393      27.88449 
1 1 1 1   41 18 o 198.2784 8.695662 1182.558       100.8721 1239.311       118.1442 1029.902       193.7641 202.1803 9.994734 176.9245 18.96972 25.25580       21.44167 
1 1 1 1   41 19 o 107.5677 12.22110 359.7184       75.73287 482.5144       91.68335 95.97499       134.3660 124.4619 12.73997 60.66963 24.48442 63.79225       27.60061 
1 1 1 1   41 20 o 45.22404 16.66726 56.51899       58.25549 85.97996       75.57822 13.39303       91.44132 53.18558 19.07395 44.62405 19.23471 8.561531       27.08855 
1 1 1 1   41 21 o 53.23640 16.65430 91.91299       57.74966 108.0421       58.39313 -627.8533      390.0786 57.23436 16.49588 56.67593 28.32728 0.5584259      32.78031 
1 1 1 1   41 22 o 59.95930 26.76711 28.00378       191.6984 -3.520452      219.4695 129.4579       393.7193 60.73849 27.72549 78.28264 36.24029 -17.54415      45.62961 
1 1 1 1   41 23 o 164.7356 19.73767 916.2620       186.9008 1007.521       211.5202 591.2638       399.1661 170.6702 21.61627 101.8002 41.78064 68.87000       47.04131 
1 1 1 1   41 24 o 44.31827 21.62072 -235.4032      183.2562 -176.8931      205.1756 -466.1869      407.4862 49.81807 23.95676 60.51643 30.03395 -10.69836      38.41828 
1 1 1 1   41 25 o 74.34410 30.44585 196.2490       211.3794 238.5036       233.2231 1.846822       500.2477 78.57655 32.05604 76.53962 36.95700 2.036926       48.92249 
1 1 1 1   41 26 o 61.43314 27.33939 52.10247       198.3679 71.27231       210.9319 -94.58547      583.4856 63.83561 28.31241 75.99265 37.38135 -12.15704      46.89305 
1 1 1 1   42 0  o 91.57452 25.57119 297.5950       142.5709 297.5950       142.5709 0.000000       0.000000 91.57452 25.57119 ?        ?        0.000000       25.57119 
1 1 1 1   42 1  o 157.1715 15.38941 774.5870       140.0395 774.5870       140.0395 0.000000       0.000000 157.1715 15.38941 ?        ?        0.000000       15.38941 
1 1 1 1   42 2  o 175.4681 13.69952 951.6425       139.8623 951.6425       139.8623 0.000000       0.000000 175.4681 13.69952 ?        ?        0.000000       13.69952 
1 1 1 1   42 3  f 204.2166 12.44662 1276.461       148.3630 1276.461       148.3630 0.000000       0.000000 204.2166 12.44662 ?        ?        0.000000       12.44662 
1 1 1 1   42 4  o 216.9644 16.46775 1485.339       207.9780 1485.339       207.9780 0.000000       0.000000 216.9644 16.46775 ?        ?        0.000000       16.46775 
1 1 1 1   42 5  o 72.36903 25.31107 174.9782       132.3842 174.9782       132.3842 0.000000       0.000000 72.36903 25.31107 ?        ?        0.000000       25.31107 
1 1 1 1   42 6  o 61.02672 23.59707 101.7072       120.0230 34.38471       126.6040 699.2338       377.1776 53.80047 22.89792 121.2385 42.69847 -67.43804      48.45074 
1 1 1 1   42 7  o 74.56971 23.81701 190.8794       117.5524 179.9486       123.7340 292.1508       376.6223 72.81728 24.50254 91.13979 39.15747 -18.32252      46.19180 
1 1 1 1   42 8  o 113.3096 18.16504 417.5537       116.6357 397.1410       123.5376 585.0735       353.9016 109.3536 19.99939 112.3319 41.13396 -2.978302      45.73815 
1 1 1 1   42 9  o 196.1727 10.81328 1168.211       123.9263 1136.317       131.1772 1433.021       377.9798 192.9463 11.64657 190.2515 35.17102 2.694794       37.04921 
1 1 1 1   42 10 o 72.57825 23.17476 180.6328       111.3039 165.2098       117.0310 326.7416       360.2100 70.04588 23.82822 92.00597 38.86729 -21.96009      45.59003 
1 1 1 1   42 11 o 79.68439 22.60872 220.8475       110.5295 206.7998       117.7230 325.3681       321.1146 76.90693 23.73339 91.04123 37.43114 -14.13430      44.32115 
1 1 1 1   42 12 o 41.39665 19.11296 -59.81306      108.4405 -101.4725      115.2198 263.2786       320.8729 39.79558 18.79926 86.34940 36.59026 -46.55382      41.13708 
1 1 1 1   42 13 o 39.97620 18.71906 -81.52437      109.8883 -27.71337      118.4546 -413.7222      294.3165 45.99914 20.74641 53.53857 26.37733 -7.539429      33.55856 
1 1 1 1   42 14 o 121.7570 15.15084 471.1584       105.8547 546.5274       115.3077 67.20524       266.9485 131.1563 15.27621 70.37722 31.49036 60.77906       35.00008 
1 1 1 1   42 15 o 62.71109 21.69399 129.0925       97.11529 128.0513       109.4867 132.9344       210.3156 63.17583 22.91769 70.69965 29.77371 -7.523815      37.57252 
1 1 1 1   42 16 o 90.24688 18.85811 273.8686       96.59039 427.7212       114.6832 -101.6414      179.1671 114.1260 17.70774 50.62563 23.76832 63.50035       29.63945 
1 1 1 1   42 17 o 115.3591 14.33268 422.0741       94.88335 488.0970       112.0013 254.2342       178.5761 123.1521 15.87607 81.54549 29.31019 41.60658       33.33372 
1 1 1 1   42 18 o 47.28768 18.93455 49.12106       79.68587 57.41826       90.01808 19.07351       171.3044 50.14606 20.10911 57.27473 25.45230 -7.128666      32.43757 
1 1 1 1   42 19 f 78.96717 16.67164 206.3923       74.78300 231.2177       90.50784 152.9769       132.7614 82.35783 19.10852 67.45358 25.10558 14.90425       31.55036 
1 1 1 1   42 20 o 33.00174 14.78191 -16.86274      58.98496 -92.45072      75.65429 100.3151       94.19544 30.57344 14.66177 57.08544 21.16589 -26.51200      25.74806 
1 1 1 1   42 21 o 114.7450 10.31566 404.0657       68.67925 397.6358       69.63360 633.8326       416.2569 113.7004 10.56335 103.3353 42.56510 10.36517       43.85627 
1 1 1 1   42 22 o 145.4041 25.93521 783.6778       213.0521 771.4006       249.7313 816.5081       408.3759 136.9614 31.71551 116.3015 43.87626 20.65994       54.13871 
1 1 1 1   42 23 o 42.01480 20.87432 -365.5872      198.9305 -264.1245      234.2656 -627.8994      376.6729 49.95157 24.38559 54.69963 27.41217 -4.748058      36.68902 
1 1 1 1   42 24 o 93.57596 32.18253 385.7428       213.6090 542.5464       249.3780 -46.29228      413.9421 108.1507 34.70489 70.89320 34.07508 37.25746       48.63682 
1 1 1 1   43 0  o 130.7758 19.77851 565.2724       146.9617 565.2724       146.9617 0.000000       0.000000 130.7758 19.77851 ?        ?        0.000000       19.77851 
1 1 1 1   43 1  o 199.9595 13.43356 1237.378       156.6234 1237.378       156.6234 0.000000       0.000000 199.9595 13.43356 ?        ?        0.000000       13.43356 
1 1 1 1   43 2  o 73.17806 25.92981 182.4209       139.2660 182.4209       139.2660 0.000000       0.000000 73.17806 25.92981 ?        ?        0.000000       25.92981 
1 1 1 1   43 3  o 206.0230 12.43923 1304.010       149.6001 1304.010       149.6001 0.000000       0.000000 206.0230 12.43923 ?        ?        0.000000       12.43923 
1 1 1 1   43 4  o 122.6746 19.23959 496.1516       133.8721 496.1516       133.8721 0.000000       0.000000 122.6746 19.23959 ?        ?        0.000000       19.23959 
1 1 1 1   43 5  o 87.49722 22.80177 267.4427       118.1725 244.7810       123.6787 505.0865       400.5083 83.14274 24.02067 102.8320 41.98640 -19.68929      48.37200 
1 1 1 1   43 6  o 100.4322 22.85991 350.9547       131.6129 350.9547       131.6129 0.000000       0.000000 100.4322 22.85991 ?        ?        0.000000       22.85991 
1 1 1 1   43 7  o 54.34480 23.44595 30.32471       136.1042 30.32471       136.1042 0.000000       0.000000 54.34480 23.44595 ?        ?        0.000000       23.44595 
1 1 1 1   43 8  o 105.9411 21.20530 382.8087       127.1516 347.0088       133.2334 748.3027       425.7081 99.32597 23.27997 117.4348 44.68414 -18.10881      50.38481 
1 1 1 1   43 9  o 154.7151 14.01344 749.3033       125.7758 760.9077       133.7842 660.9877       369.0720 155.3102 14.86908 114.3464 41.98422 40.96381       44.53947 
1 1 1 1   43 10 o 82.87668 24.20851 246.7440       124.9990 188.4881       132.9319 691.5988       367.3403 73.29376 25.37978 116.5519 42.01938 -43.25814      49.08932 
1 1 1 1   43 11 o 43.88953 20.27623 -60.97268      122.3113 -51.84550      134.9567 -102.9441      289.4030 46.88717 21.52930 63.38572 29.89783 -16.49855      36.84279 
1 1 1 1   43 12 o 54.15007 22.75407 50.97612       122.4098 102.0520       133.6993 -213.7206      304.3655 61.37835 24.54320 60.31582 29.04912 1.062534       38.02919 
1 1 1 1   43 13 o 134.0645 15.59537 575.3448       120.3333 628.9908       134.6447 362.4692       268.2153 139.3174 16.81906 91.58785 35.31207 47.72955       39.11295 
1 1 1 1   43 14 o 139.9023 14.35616 618.9634       116.1222 648.6286       127.7046 477.3195       279.0499 142.3740 15.54649 101.7285 36.62992 40.64548       39.79252 
1 1 1 1   43 15 o 113.8983 15.73135 418.2601       102.2803 464.2461       118.3623 282.6848       203.2316 118.8681 17.50175 84.30796 31.12046 34.56013       35.70426 
1 1 1 1   43 16 o 110.9555 22.13484 431.2766       138.9854 625.7165       224.4720 310.3918       176.9927 124.9420 30.82657 88.46207 29.29556 36.47988       42.52655 
1 1 1 1   43 17 o 140.9622 12.48217 619.1566       102.1258 659.8875       121.4692 520.9363       188.6275 144.0531 14.57827 116.2212 28.00604 27.83187       31.57315 
1 1 1 1   43 18 f 88.70476 19.08250 268.8050       96.32563 388.3759       112.3090 -63.89757      187.3396 107.5383 18.47281 53.22834 24.76375 54.30993       30.89479 
1 1 1 1   43 19 o 56.16853 19.86643 101.1604       81.71859 24.97048       99.68941 257.2288       142.6783 47.15485 20.20067 82.04741 26.24278 -34.89256      33.11723 
1 1 1 1   43 20 o 42.52759 16.97892 38.74626       63.88577 -24.35146      81.05544 142.2290       103.8029 37.87882 17.11558 64.32746 22.41859 -26.44864      28.20525 
1 1 1 1   43 21 o 67.83675 29.35075 119.6447       214.5030 103.7152       255.5680 157.6140       394.5681 69.21708 30.90267 77.77534 36.10015 -8.558266      47.52048 
1 1 1 1   44 0  o 119.0765 25.88189 515.3664       175.5769 515.3664       175.5769 0.000000       0.000000 119.0765 25.88189 ?        ?        0.000000       25.88189 
1 1 1 1   44 1  o 139.5854 18.55471 640.7996       148.1369 640.7996       148.1369 0.000000       0.000000 139.5854 18.55471 ?        ?        0.000000       18.55471 
1 1 1 1   44 2  o 115.7794 21.60567 460.0379       141.3119 460.0379       141.3119 0.000000       0.000000 115.7794 21.60567 ?        ?        0.000000       21.60567 
1 1 1 1   44 3  o 54.23398 23.32559 35.70501       133.9067 35.70501       133.9067 0.000000       0.000000 54.23398 23.32559 ?        ?        0.000000       23.32559 
1 1 1 1   44 4  o 213.4198 12.51633 1406.787       155.9738 1406.787       155.9738 0.000000       0.000000 213.4198 12.51633 ?        ?        0.000000       12.51633 
1 1 1 1   44 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   44 6  o 138.0862 16.39858 614.0977       130.2124 508.7206       136.9604 1605.125       420.0150 123.2693 19.60026 191.5845 38.71483 -68.31528      43.39364 
1 1 1 1   44 7  o 45.00111 20.82194 -63.21306      129.7178 -70.98608      136.0031 15.10097       431.6916 45.58183 21.16999 76.86495 36.33406 -31.28312      42.05154 
1 1 1 1   44 8  o 194.2664 12.81162 1171.630       145.1514 1237.030       154.5128 680.4477       423.4445 199.2079 13.30157 109.3931 43.69987 89.81483       45.67943 
1 1 1 1   44 9  o 77.02450 24.24104 214.5652       122.1662 127.0132       128.4443 1045.065       395.5957 63.86694 24.48478 142.1097 43.44287 -78.24272      49.86770 
1 1 1 1   44 10 o 144.8769 15.18112 669.2866       127.0760 717.7256       135.3742 310.1272       368.6228 149.7009 15.65013 87.11638 38.07381 62.58449       41.16481 
1 1 1 1   44 11 o 76.45800 23.82607 211.0185       118.3168 161.8373       128.9246 473.5298       297.8589 68.62482 24.87257 99.81611 37.51183 -31.19129      45.00869 
1 1 1 1   44 12 o 70.87509 24.28351 178.0210       121.5871 277.7178       134.8624 -254.9023      281.0319 86.50565 25.11032 56.02070 27.20357 30.48495       37.02110 
1 1 1 1   44 13 o 91.20951 22.22348 295.8111       117.7698 329.8577       134.9772 187.2335       241.0424 94.95692 24.17711 75.39664 31.81979 19.56028       39.96288 
1 1 1 1   44 14 o 84.63226 21.61689 254.0382       107.6657 375.2961       130.1247 -9.159384      191.7104 102.9419 22.20658 57.21890 26.03923 45.72298       34.22242 
1 1 1 1   44 15 o 58.50076 21.90050 106.6566       101.3206 106.4618       123.5277 107.0570       177.1215 60.22834 23.74900 64.59444 27.26944 -4.366093      36.16126 
1 1 1 1   44 16 f 137.8780 13.07783 597.3588       104.4858 794.8463       129.8526 234.6599       175.9762 158.3305 14.13255 77.92273 28.92287 80.40778       32.19101 
1 1 1 1   44 17 o 62.63565 21.77397 133.3454       97.88705 217.7848       113.1542 -117.7676      195.1340 77.25227 23.15411 51.16500 24.25731 26.08727       33.53401 
1 1 1 1   44 18 o 135.5413 13.58656 581.1816       106.5473 561.6014       123.6738 637.5568       209.8520 131.0695 16.45028 127.2502 28.79393 3.819321       33.16176 
1 1 1 1   44 19 o 48.73746 18.98325 62.43224       78.11163 -5.407687      93.71621 216.8051       141.3701 42.50026 18.85957 75.49989 26.17139 -32.99963      32.25872 
1 1 1 1   45 0  o 146.9556 19.65314 724.6736       165.1400 724.6736       165.1400 0.000000       0.000000 146.9556 19.65314 ?        ?        0.000000       19.65314 
1 1 1 1   45 1  o 78.92237 27.71699 234.0116       158.8532 234.0116       158.8532 0.000000       0.000000 78.92237 27.71699 ?        ?        0.000000       27.71699 
1 1 1 1   45 2  o 50.86810 23.12919 -28.40424      150.8490 -28.40424      150.8490 0.000000       0.000000 50.86810 23.12919 ?        ?        0.000000       23.12919 
1 1 1 1   45 3  o 60.19790 25.17946 81.55602       148.8447 81.55602       148.8447 0.000000       0.000000 60.19790 25.17946 ?        ?        0.000000       25.17946 
1 1 1 1   45 4  o 91.34618 25.34203 310.2608       140.5225 310.2608       140.5225 0.000000       0.000000 91.34618 25.34203 ?        ?        0.000000       25.34203 
1 1 1 1   45 5  o 127.1673 20.75976 552.9471       149.4909 552.9471       149.4909 0.000000       0.000000 127.1673 20.75976 ?        ?        0.000000       20.75976 
1 1 1 1   45 6  o 60.04737 27.15305 8.488418       204.4592 -155.2192      231.5428 588.0352       435.6533 54.39571 25.96763 101.4303 42.79092 -47.03455      50.05378 
1 1 1 1   45 7  f 67.56588 24.94330 155.1648       130.5654 161.7310       137.8035 97.53913       408.2362 68.72928 25.57835 77.62351 36.26019 -8.894234      44.37402 
1 1 1 1   45 8  o 50.44659 22.40330 3.133145       132.5026 1.211100       139.5070 20.84450       423.4872 51.33186 22.88037 75.22120 35.68360 -23.88934      42.38905 
1 1 1 1   45 9  o 72.52882 24.73672 190.5034       126.1376 193.8010       134.0039 164.8646       373.6541 72.98257 25.46956 78.62494 35.99838 -5.642365      44.09742 
1 1 1 1   45 10 o 136.6579 15.94835 604.4856       125.4206 604.5818       134.3989 603.8365       349.0045 135.5893 17.29439 105.7554 40.40587 29.83389       43.95145 
1 1 1 1   45 11 o 102.3593 18.78831 354.5775       108.6336 442.3480       120.8314 -15.48826      248.1105 114.7186 18.59563 62.23135 28.79520 52.48726       34.27770 
1 1 1 1   45 12 o 65.75365 22.76311 150.2866       106.9314 228.7586       121.0303 -128.8905      228.2846 78.70245 24.02338 54.67993 26.01368 24.02252       35.40952 
1 1 1 1   45 13 o 70.13142 23.09107 176.4886       110.0130 129.6419       135.6322 266.5823       188.0921 63.89480 24.97784 81.39079 29.95712 -17.49599      39.00412 
1 1 1 1   45 14 o 54.50451 22.01952 74.57903       108.8008 -5.211026      132.2940 241.3359       191.2527 49.40114 22.13172 78.43004 29.92444 -29.02890      37.21942 
1 1 1 1   45 15 o 63.64592 22.51313 138.9269       104.9448 317.4464       132.1520 -165.8619      172.6754 92.43960 24.12415 45.56162 21.92721 46.87798       32.60026 
1 1 1 1   45 16 o 42.48214 19.19358 -21.86460      101.9009 -142.5725      129.2026 176.7887       165.7491 39.33694 18.94057 70.41203 27.58665 -31.07509      33.46294 
1 1 1 1   46 0  o 50.78582 23.47837 -52.33709      164.4072 -52.33709      164.4072 0.000000       0.000000 50.78582 23.47837 ?        ?        0.000000       23.47837 
1 1 1 1   46 1  o 146.7699 18.90370 722.4839       158.9429 722.4839       158.9429 0.000000       0.000000 146.7699 18.90370 ?        ?        0.000000       18.90370 
1 1 1 1   46 2  o 144.9492 19.38143 709.3224       160.6349 709.3224       160.6349 0.000000       0.000000 144.9492 19.38143 ?        ?        0.000000       19.38143 
1 1 1 1   46 3  o 59.74304 25.93032 61.65244       168.4929 61.65244       168.4929 0.000000       0.000000 59.74304 25.93032 ?        ?        0.000000       25.93032 
1 1 1 1   46 4  o 82.88391 28.99393 274.3049       173.7165 274.3049       173.7165 0.000000       0.000000 82.88391 28.99393 ?        ?        0.000000       28.99393 
1 1 1 1   46 5  o 51.41154 23.61716 -38.16463      162.6471 -38.16463      162.6471 0.000000       0.000000 51.41154 23.61716 ?        ?        0.000000       23.61716 
1 1 1 1   46 6  o 103.0292 27.45610 414.0340       168.8931 414.0340       168.8931 0.000000       0.000000 103.0292 27.45610 ?        ?        0.000000       27.45610 
1 1 1 1   46 7  o 64.59885 25.79711 129.4398       147.5141 168.3178       156.8273 -169.0356      434.5341 69.59855 26.95666 69.04176 33.59504 0.5567856      43.07306 
1 1 1 1   46 8  o 75.82761 27.36453 218.3797       155.8387 218.3797       155.8387 0.000000       0.000000 75.82761 27.36453 ?        ?        0.000000       27.36453 
1 1 1 1   46 9  o 100.2135 24.49944 372.6797       142.7630 341.1169       157.2338 520.8632       340.6886 93.38680 27.11472 98.67354 39.27044 -5.286736      47.72185 
1 1 1 1   46 10 o 59.07721 23.75135 97.49211       125.9199 138.1115       139.3157 -83.77686      294.3032 65.04986 25.34772 62.62075 29.71809 2.429108       39.05985 
1 1 1 1   46 11 o 56.30585 22.36789 87.93648       110.3341 144.4382       124.4945 -118.9140      238.2032 65.08881 24.29447 55.89198 26.58532 9.196835       36.01390 
1 1 1 1   46 12 o 39.86876 18.81140 -87.17410      114.7374 -89.58609      133.3796 -80.30926      225.0178 43.19446 20.35038 56.14422 26.44557 -12.94976      33.36924 
1 1 1 1   47 0  f 46.31651 22.16432 -144.0002      170.8794 -144.0002      170.8794 0.000000       0.000000 46.31651 22.16432 ?        ?        0.000000       22.16432 
1 1 1 1   47 1  o 74.57442 27.74025 210.6399       162.0448 210.6399       162.0448 0.000000       0.000000 74.57442 27.74025 ?        ?        0.000000       27.74025 
1 1 1 1   47 2  o 83.91415 28.33200 282.6937       165.4304 282.6937       165.4304 0.000000       0.000000 83.91415 28.33200 ?        ?        0.000000       28.33200 
1 1 1 1   47 3  o 70.22894 28.33477 169.4916       179.8962 169.4916       179.8962 0.000000       0.000000 70.22894 28.33477 ?        ?        0.000000       28.33477 
1 1 1 1   47 4  o 59.63634 26.42445 47.35159       183.3016 47.35159       183.3016 0.000000       0.000000 59.63634 26.42445 ?        ?        0.000000       26.42445 
1 1 1 1   47 5  o 46.22168 22.33902 -184.4018      183.8359 -184.4018      183.8359 0.000000       0.000000 46.22168 22.33902 ?        ?        0.000000       22.33902 
1 1 1 1   47 6  o 67.32387 27.13713 149.9503       164.8399 149.9503       164.8399 0.000000       0.000000 67.32387 27.13713 ?        ?        0.000000       27.13713 
1 1 1 2   0  0  o 7.498514 5.440280 -27.32230      13.11082 -27.32230      13.11082 -27.32230      13.11082 7.498514 5.440280 7.498514 5.440280 0.000000       0.000000 
1 1 1 2   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  4  o 145.7819 5.064799 625.5423       43.18419 625.5423       43.18419 625.5423       43.18419 145.7819 5.064799 145.7819 5.064799 0.000000       0.000000 
1 1 1 2   0  5  o 173.8732 5.165700 888.9904       52.57067 888.9904       52.57067 888.9904       52.57067 173.8732 5.165700 173.8732 5.165700 0.000000       0.000000 
1 1 1 2   0  6  o 260.2599 5.816347 1989.599       88.67844 1989.599       88.67844 1989.599       88.67844 260.2599 5.816347 260.2599 5.816347 0.000000       0.000000 
1 1 1 2   0  7  o 680.2043 11.82883 13590.49       471.5583 13590.49       471.5583 13590.49       471.5583 680.2043 11.82883 680.2043 11.82883 0.000000       0.000000 
1 1 1 2   0  8  o 425.9848 7.984188 5328.905       199.3109 5328.905       199.3109 5328.905       199.3109 425.9848 7.984188 425.9848 7.984188 0.000000       0.000000 
1 1 1 2   0  9  o 820.9269 14.07001 19807.25       676.9579 19807.25       676.9579 19807.25       676.9579 820.9269 14.07001 820.9269 14.07001 0.000000       0.000000 
1 1 1 2   0  10 o 440.6782 8.240963 5703.881       212.8175 5703.881       212.8175 5703.881       212.8175 440.6782 8.240963 440.6782 8.240963 0.000000       0.000000 
1 1 1 2   0  11 o 292.6163 6.406400 2515.522       109.8229 2515.522       109.8229 2515.522       109.8229 292.6163 6.406400 292.6163 6.406400 0.000000       0.000000 
1 1 1 2   0  12 o 1001.134 17.02134 29512.55       998.7419 29512.55       998.7419 29512.55       998.7419 1001.134 17.02134 1001.134 17.02134 0.000000       0.000000 
1 1 1 2   0  13 o 64.74044 13.23723 137.4084       44.44042 137.4084       44.44042 137.4084       44.44042 64.74044 13.23723 64.74044 13.23723 0.000000       0.000000 
1 1 1 2   0  14 o 429.3275 8.237916 5414.193       207.2506 5414.193       207.2506 5414.193       207.2506 429.3275 8.237916 429.3275 8.237916 0.000000       0.000000 
1 1 1 2   0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  16 o 1607.307 26.95101 76123.13       2538.921 76123.13       2538.921 76123.13       2538.921 1607.307 26.95101 1607.307 26.95101 0.000000       0.000000 
1 1 1 2   0  17 o 43.64265 20.21226 81.63554       57.13358 81.63554       57.13358 81.63554       57.13358 43.64265 20.21226 43.64265 20.21226 0.000000       0.000000 
1 1 1 2   0  18 o 194.8908 7.451926 1118.967       84.89143 1118.967       84.89143 1118.967       84.89143 194.8908 7.451926 194.8908 7.451926 0.000000       0.000000 
1 1 1 2   0  19 o 30.17603 18.95139 13.12617       69.98803 13.12617       69.98803 13.12617       69.98803 30.17603 18.95139 30.17603 18.95139 0.000000       0.000000 
1 1 1 2   0  20 o 363.2766 8.308720 3877.378       176.8108 3877.378       176.8108 3877.378       176.8108 363.2766 8.308720 363.2766 8.308720 0.000000       0.000000 
1 1 1 2   0  21 o 944.4544 16.23151 26220.34       898.4647 26220.34       898.4647 26220.34       898.4647 944.4544 16.23151 944.4544 16.23151 0.000000       0.000000 
1 1 1 2   0  22 o 400.8240 8.641322 4720.004       202.9217 4720.004       202.9217 4720.004       202.9217 400.8240 8.641322 400.8240 8.641322 0.000000       0.000000 
1 1 1 2   0  23 o 913.9522 15.68520 24560.47       840.1863 24560.47       840.1863 24560.47       840.1863 913.9522 15.68520 913.9522 15.68520 0.000000       0.000000 
1 1 1 2   0  24 o 388.2980 8.365749 4430.196       190.3116 4430.196       190.3116 4430.196       190.3116 388.2980 8.365749 388.2980 8.365749 0.000000       0.000000 
1 1 1 2   0  25 o 1010.065 17.25043 30036.12       1021.208 30036.12       1021.208 30036.12       1021.208 1010.065 17.25043 1010.065 17.25043 0.000000       0.000000 
1 1 1 2   0  26 o 44.22143 23.19584 83.69136       79.34126 83.69136       79.34126 83.69136       79.34126 44.22143 23.19584 44.22143 23.19584 0.000000       0.000000 
1 1 1 2   0  27 o 477.5082 9.252892 6702.100       258.9053 6702.100       258.9053 6702.100       258.9053 477.5082 9.252892 477.5082 9.252892 0.000000       0.000000 
1 1 1 2   0  28 o 653.2897 11.68240 12556.03       447.2754 12556.03       447.2754 12556.03       447.2754 653.2897 11.68240 653.2897 11.68240 0.000000       0.000000 
1 1 1 2   0  29 o 20.88501 14.97149 -139.3651      86.16397 -139.3651      86.16397 -139.3651      86.16397 20.88501 14.97149 20.88501 14.97149 0.000000       0.000000 
1 1 1 2   0  30 o 408.5089 8.388391 4907.123       200.7786 4907.123       200.7786 4907.123       200.7786 408.5089 8.388391 408.5089 8.388391 0.000000       0.000000 
1 1 1 2   0  31 o 23.64744 16.17393 -44.91663      70.75448 -44.91663      70.75448 -44.91663      70.75448 23.64744 16.17393 23.64744 16.17393 0.000000       0.000000 
1 1 1 2   0  32 o 280.4688 7.609550 2315.032       124.9599 2315.032       124.9599 2315.032       124.9599 280.4688 7.609550 280.4688 7.609550 0.000000       0.000000 
1 1 1 2   0  33 o 41.94715 22.43274 74.86726       75.39520 74.86726       75.39520 74.86726       75.39520 41.94715 22.43274 41.94715 22.43274 0.000000       0.000000 
1 1 1 2   0  34 o 29.59898 19.82791 -34.95771      95.89508 -34.95771      95.89508 -34.95771      95.89508 29.59898 19.82791 29.59898 19.82791 0.000000       0.000000 
1 1 1 2   0  35 o 383.6606 9.058610 4332.454       203.5692 4332.454       203.5692 4332.454       203.5692 383.6606 9.058610 383.6606 9.058610 0.000000       0.000000 
1 1 1 2   0  36 o 148.7218 12.69996 665.5182       108.8396 665.5182       108.8396 665.5182       108.8396 148.7218 12.69996 148.7218 12.69996 0.000000       0.000000 
1 1 1 2   0  37 o 44.06382 24.70200 78.63321       96.10025 78.63321       96.10025 78.63321       96.10025 44.06382 24.70200 44.06382 24.70200 0.000000       0.000000 
1 1 1 2   0  38 f 208.5273 10.99120 1291.297       133.5604 1291.297       133.5604 1291.297       133.5604 208.5273 10.99120 208.5273 10.99120 0.000000       0.000000 
1 1 1 2   0  39 o 299.1458 10.56728 2645.765       184.8690 2645.765       184.8690 2645.765       184.8690 299.1458 10.56728 299.1458 10.56728 0.000000       0.000000 
1 1 1 2   0  40 o 84.94077 42.34293 336.6985       256.3043 336.6985       256.3043 336.6985       256.3043 84.94077 42.34293 84.94077 42.34293 0.000000       0.000000 
1 1 1 2   0  41 o 299.3602 11.13232 2656.272       194.8332 2656.272       194.8332 2656.272       194.8332 299.3602 11.13232 299.3602 11.13232 0.000000       0.000000 
1 1 1 2   0  42 o 199.3877 12.35192 1191.064       143.1543 1191.064       143.1543 1191.064       143.1543 199.3877 12.35192 199.3877 12.35192 0.000000       0.000000 
1 1 1 2   0  43 o 109.3504 20.07221 393.4965       115.9273 393.4965       115.9273 393.4965       115.9273 109.3504 20.07221 109.3504 20.07221 0.000000       0.000000 
1 1 1 2   0  44 o 100.3361 22.25831 345.6427       114.4944 345.6427       114.4944 345.6427       114.4944 100.3361 22.25831 100.3361 22.25831 0.000000       0.000000 
1 1 1 2   0  45 o 46.20424 26.04445 92.91127       107.5771 92.91127       107.5771 92.91127       107.5771 46.20424 26.04445 46.20424 26.04445 0.000000       0.000000 
1 1 1 2   0  46 o 220.1221 11.83135 1456.360       151.7239 1456.360       151.7239 1456.360       151.7239 220.1221 11.83135 220.1221 11.83135 0.000000       0.000000 
1 1 1 2   0  47 o 24.12860 17.25010 -158.7222      111.2877 -158.7222      111.2877 -158.7222      111.2877 24.12860 17.25010 24.12860 17.25010 0.000000       0.000000 
1 1 1 2   0  48 o 44.48791 26.85369 75.13029       128.0003 75.13029       128.0003 75.13029       128.0003 44.48791 26.85369 44.48791 26.85369 0.000000       0.000000 
1 1 1 2   0  49 o 23.91739 17.38405 -273.0688      137.2604 -273.0688      137.2604 -273.0688      137.2604 23.91739 17.38405 23.91739 17.38405 0.000000       0.000000 
1 1 1 2   0  50 o 62.30839 32.82028 199.6323       159.3557 199.6323       159.3557 199.6323       159.3557 62.30839 32.82028 62.30839 32.82028 0.000000       0.000000 
1 1 1 2   0  51 o 42.12973 27.36086 25.69027       161.6122 25.69027       161.6122 25.69027       161.6122 42.12973 27.36086 42.12973 27.36086 0.000000       0.000000 
1 1 1 2   1  0  o 12.80753 6.266868 -30.67909      15.73556 -30.67909      15.73556 0.000000       0.000000 12.80753 6.266868 ?        ?        0.000000       6.266868 
1 1 1 2   1  1  o ?        ?        -68.07162      16.44271 -68.07162      16.44271 0.000000       0.000000 ?        ?        ?        ?        0.000000       ?        
1 1 1 2   1  2  f 681.1074 11.84114 13624.64       472.9982 12953.65       622.5870 14540.61       727.4230 663.7004 15.99475 702.7443 17.66378 -39.04388      23.82941 
1 1 1 2   1  3  o 186.2598 3.637781 1017.471       39.73801 974.6723       55.00061 1064.212       57.47722 182.2141 5.151945 190.4063 5.151850 -8.192200      7.285883 
1 1 1 2   1  4  o 468.5399 6.053462 6440.055       166.3416 6267.843       227.3482 6638.452       244.0209 462.1468 8.388051 475.5974 8.748569 -13.45059      12.12010 
1 1 1 2   1  5  o 339.8346 4.773461 3387.389       95.13745 3415.264       135.4856 3360.275       133.6231 341.1865 6.770968 338.4296 6.732285 2.756897       9.548282 
1 1 1 2   1  6  o 876.4997 10.55293 22555.79       542.4697 22809.57       779.2902 22317.22       755.5945 880.8519 15.08502 871.3363 14.78606 9.515625       21.12310 
1 1 1 2   1  7  o 104.2668 4.126108 319.3568       25.18135 308.9337       35.13034 330.3716       36.11363 102.4534 5.871213 105.9621 5.833765 -3.508759      8.276711 
1 1 1 2   1  8  o 1268.955 30.40168 47767.00       2262.530 47767.00       2262.530 0.000000       0.000000 1268.955 30.40168 ?        ?        0.000000       30.40168 
1 1 1 2   1  9  o 308.5073 4.557954 2791.783       82.46808 2776.769       115.9271 2807.165       117.3407 307.6311 6.425461 309.3090 6.468530 -1.677887      9.117478 
1 1 1 2   1  10 o 913.3776 10.99764 24514.87       589.1155 24846.13       848.6747 24206.80       818.4191 918.5189 15.75443 906.7131 15.39059 11.80579       22.02436 
1 1 1 2   1  11 o 542.0151 6.878415 8623.375       218.6504 8595.993       308.0449 8651.178       310.4054 540.8856 9.710868 542.6143 9.754107 -1.728638      13.76385 
1 1 1 2   1  12 o 622.9642 7.760174 11395.66       283.5208 11330.00       397.9037 11463.37       404.0859 620.7507 10.92975 624.3774 11.03509 -3.626709      15.53167 
1 1 1 2   1  13 o 168.9641 4.435597 838.0842       43.91586 838.3114       62.42283 837.8615       61.79474 168.8918 6.313198 168.8501 6.251008 0.4170227E-01  8.884344 
1 1 1 2   1  14 o 729.7664 8.952461 15638.28       383.1570 15329.95       526.8621 15984.42       558.2291 722.0718 12.44131 737.2486 12.91065 -15.17682      17.92961 
1 1 1 2   1  15 o 94.87037 6.775448 265.4332       37.44991 263.5489       52.29171 267.4173       53.65910 94.25916 9.592813 94.93457 9.777245 -0.6754074     13.69732 
1 1 1 2   1  16 o 519.7107 6.734704 7924.274       205.2724 7881.666       287.8969 7968.334       292.7625 518.1857 9.473293 521.0211 9.580972 -2.835449      13.47361 
1 1 1 2   1  17 o 1123.757 13.42112 37096.16       884.5286 37024.61       1247.491 37168.49       1254.362 1121.692 18.96327 1123.855 19.03102 -2.163452      26.86607 
1 1 1 2   1  18 o 394.3595 5.661415 4561.851       130.9386 4548.167       184.2268 4575.820       186.1384 393.7068 7.978651 394.9000 8.037079 -1.193268      11.32491 
1 1 1 2   1  19 o 102.5418 9.194983 311.0755       54.71070 257.3987       78.77807 361.0855       76.03981 92.40095 15.05498 110.2437 11.95176 -17.84274      19.22230 
1 1 1 2   1  20 o 298.2066 5.789612 2608.636       101.2552 2621.645       143.8544 2595.863       142.5474 298.7813 8.217355 297.3092 8.183020 1.472076       11.59684 
1 1 1 2   1  21 o 887.6007 10.82818 23134.29       563.6685 22990.36       790.3411 23283.28       804.1330 884.2364 15.24038 889.8247 15.40894 -5.588318      21.67267 
1 1 1 2   1  22 o 230.5964 5.927375 1561.027       80.09499 1552.796       111.1494 1569.918       115.5199 229.8663 8.258241 231.1146 8.537404 -1.248352      11.87796 
1 1 1 2   1  23 o 494.2574 6.705639 7168.302       194.3766 7165.782       274.8753 7170.822       274.9046 494.0059 9.487530 494.1797 9.485204 -0.1738281     13.41575 
1 1 1 2   1  24 o 459.8522 6.429557 6205.494       173.4003 6200.353       245.6454 6210.599       244.8070 459.4912 9.115507 459.8736 9.076841 -0.3823853     12.86396 
1 1 1 2   1  25 o 761.2773 9.413091 17026.00       420.2673 16730.95       580.2731 17351.51       609.4989 753.9931 13.12244 767.7602 13.53620 -13.76709      18.85278 
1 1 1 2   1  26 o 67.36935 14.24436 138.7841       54.51810 68.22894       76.63264 211.0880       77.57650 52.88038 19.17467 83.12962 16.49435 -30.24924      25.29291 
1 1 1 2   1  27 o 178.0807 6.281083 932.1651       65.49699 866.3226       91.92627 1000.053       93.34347 171.4271 9.176884 184.2680 8.661650 -12.84090      12.61901 
1 1 1 2   1  28 o 559.5941 8.463708 9205.048       277.7693 8860.905       461.3304 9400.763       347.9001 547.5933 14.37737 565.1416 10.49656 -17.54834      17.80130 
1 1 1 2   1  29 o 380.3584 5.754575 4247.745       128.3680 4258.233       181.5690 4237.263       181.5106 380.5866 8.134628 379.6462 8.152152 0.9403381      11.51650 
1 1 1 2   1  30 o 115.4480 8.068545 393.8267       54.28621 391.7141       78.96927 395.7195       74.74903 114.6209 11.92142 115.3235 11.19249 -0.7026291     16.35213 
1 1 1 2   1  31 o 429.2380 6.104734 5412.212       153.6793 5577.420       224.0296 5265.373       211.2075 435.3355 8.774669 423.0267 8.513162 12.30881       12.22574 
1 1 1 2   1  32 o 87.84077 10.56921 230.7217       53.35627 178.9579       76.51321 279.7231       74.44365 76.06889 17.51313 96.32097 13.55246 -20.25208      22.14450 
1 1 1 2   1  33 o 323.9718 5.673347 3082.592       107.7946 3069.507       150.6413 3096.323       154.3144 323.0396 7.951291 324.4274 8.110327 -1.387787      11.35784 
1 1 1 2   1  34 o 131.1923 9.582436 509.6020       73.21996 500.8352       106.0045 517.6009       101.2559 129.3055 14.21241 131.6459 13.29690 -2.340317      19.46278 
1 1 1 2   1  35 o 336.8008 6.116109 3332.624       120.8089 3403.730       175.9549 3269.211       166.1643 339.9137 8.833857 333.1797 8.510680 6.734009       12.26657 
1 1 1 2   1  36 o 280.7560 6.618659 2317.148       108.9807 2271.657       120.9819 2512.921       250.9746 277.7984 7.432422 290.5875 14.77509 -12.78912      16.53917 
1 1 1 2   1  37 o 284.9864 6.753234 2388.560       112.8721 2339.685       125.0261 2603.908       262.4406 281.8499 7.570523 295.4392 15.19758 -13.58932      16.97879 
1 1 1 2   1  38 o 29.18602 13.96405 -92.41387      67.75774 -91.30154      71.34373 -102.6518      216.4438 30.40527 14.48695 61.22443 27.78578 -30.81916      31.33562 
1 1 1 2   1  39 o 231.3929 18.48518 1622.950       248.7715 0.000000       0.000000 1622.950       248.7715 ?        ?        231.3929 18.48518 0.000000       18.48518 
1 1 1 2   1  40 o 127.7572 11.57461 488.3024       85.78456 483.6275       122.9363 492.7389       119.7613 125.6886 17.12239 127.0856 16.45413 -1.397079      23.74689 
1 1 1 2   1  41 o 116.8515 13.15926 412.7247       88.61506 601.7768       125.6339 225.5467       125.0097 140.6587 15.48555 83.93961 24.11854 56.71912       28.66193 
1 1 1 2   1  42 o 49.04348 18.94085 51.79016       77.26197 -39.74507      108.8927 144.5877       109.6410 44.58599 20.01859 68.93430 23.06354 -24.34831      30.53966 
1 1 1 2   1  43 o 167.1183 9.295607 833.0699       90.74812 895.7465       130.8367 774.9641       125.9758 171.9185 13.07451 159.6347 13.58472 12.28381       18.85438 
1 1 1 2   1  44 o 105.2698 13.88467 341.7309       83.63349 314.3128       119.5762 367.9877       117.0165 97.81039 21.43827 107.0103 19.35777 -9.199944      28.88465 
1 1 1 2   1  45 o 137.7526 10.94412 573.5597       87.68980 592.6584       123.2543 553.9840       124.7840 138.0371 15.49199 132.9872 16.34244 5.049927       22.51837 
1 1 1 2   1  46 o 46.58367 18.85298 38.61322       79.91750 90.66608       113.8005 -12.03640      112.2561 59.30562 22.96486 46.93800 20.74411 12.36762       30.94678 
1 1 1 2   1  47 o 315.0527 7.839155 2956.685       144.8448 2950.292       203.3563 2963.268       206.3599 312.0756 11.12866 312.6313 11.27337 -0.5556641     15.84096 
1 1 1 2   1  48 f 49.11168 20.06081 44.42921       91.47794 41.35468       134.6389 47.06546       124.6737 55.46708 23.61051 54.64650 22.96314 0.8205833      32.93573 
1 1 1 2   1  49 o 86.85279 20.26648 257.0058       101.3369 116.0206       145.2240 390.8028       141.4735 64.41916 25.63880 105.3598 23.49443 -40.94069      34.77551 
1 1 1 2   1  50 o 208.2055 10.52216 1319.939       128.0671 1582.614       183.9131 1072.668       178.4393 224.8835 14.01420 182.4335 16.86864 42.45000       21.93055 
1 1 1 2   1  51 o 133.6095 16.17507 576.0439       124.1684 486.5592       170.1060 678.1028       181.6647 114.8549 25.87615 139.0264 23.09003 -24.17149      34.68032 
1 1 1 2   2  0  o 26.86734 9.695371 17.53941       19.56239 17.53941       19.56239 0.000000       0.000000 26.86734 9.695371 ?        ?        0.000000       9.695371 
1 1 1 2   2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   2  2  o 507.4582 9.168342 7558.312       272.8611 7342.590       371.6193 7810.656       401.9279 499.7914 12.68850 515.4240 13.30750 -15.63257      18.38716 
1 1 1 2   2  3  o 198.5862 4.348326 1156.670       50.64326 1266.066       65.04617 988.2850       80.69958 207.6853 5.344739 183.3711 7.519903 24.31416       9.225788 
1 1 1 2   2  4  o 159.3515 3.566335 744.7214       33.32950 734.0673       46.54781 755.9306       47.74504 158.1168 5.026003 160.4543 5.080120 -2.337540      7.146211 
1 1 1 2   2  5  o 547.8156 6.901092 8804.767       221.7189 8513.507       299.8105 9156.329       329.3881 538.5522 9.492237 558.4802 10.05656 -19.92804      13.82885 
1 1 1 2   2  6  o 634.5261 7.844638 11814.48       291.9261 11642.55       404.7211 12000.95       421.4804 629.6884 10.95922 639.2850 11.24171 -9.596558      15.69970 
1 1 1 2   2  7  o 1069.615 14.75303 33633.68       925.4637 33329.59       1118.638 34293.28       1647.492 1064.129 17.92440 1077.165 26.07898 -13.03613      31.64486 
1 1 1 2   2  8  o 235.4708 4.006607 1626.239       55.33046 1635.369       78.51623 1617.232       77.98466 236.1063 5.670238 234.7936 5.663338 1.312775       8.014050 
1 1 1 2   2  9  o 845.2010 10.21500 20980.52       506.3480 20787.84       706.8491 21183.60       725.6909 840.6778 14.33661 848.5977 14.58140 -7.919861      20.44886 
1 1 1 2   2  10 o 363.1707 5.069073 3869.389       107.9667 3976.379       157.1665 3773.780       148.5717 368.0672 7.280856 358.5780 7.064832 9.489227       10.14508 
1 1 1 2   2  11 o 550.7253 6.967533 8903.113       225.0425 8978.104       321.7262 8831.272       314.8999 552.7445 9.924565 548.2211 9.794139 4.523376       13.94353 
1 1 1 2   2  12 o 758.1521 9.254210 16887.61       411.4776 16646.92       570.8135 17147.98       593.6951 752.0399 12.94204 763.2019 13.26397 -11.16199      18.53185 
1 1 1 2   2  13 o 508.2711 6.558622 7582.170       195.5053 7484.082       272.1178 7686.822       281.0721 504.7586 9.192268 511.5326 9.369013 -6.774017      13.12540 
1 1 1 2   2  14 o 230.8693 4.406684 1563.485       59.66622 1443.407       80.03274 1713.734       89.52436 221.7068 6.161115 241.5838 6.324066 -19.87698      8.829108 
1 1 1 2   2  15 o 145.7731 5.129670 624.1111       43.78646 563.1038       60.67366 690.4172       63.25371 138.3205 7.507480 153.2303 7.057628 -14.90982      10.30400 
1 1 1 2   2  16 o 752.6873 9.225192 16628.25       407.2307 16223.02       556.1462 17096.67       597.9453 743.1497 12.76034 762.8329 13.36539 -19.68323      18.47863 
1 1 1 2   2  17 o 102.6864 8.411913 311.4893       50.21553 193.0867       84.50928 376.1104       62.43256 79.43200 18.48859 112.8021 9.526174 -33.37006      20.79846 
1 1 1 2   2  18 o 614.9203 7.774086 11094.70       280.3617 11187.87       400.5095 11005.18       392.5917 617.3094 11.06266 612.2573 10.93344 5.052124       15.55385 
1 1 1 2   2  19 o 254.3847 5.499361 1898.182       82.04531 1848.116       115.3276 1949.487       116.7446 250.8445 7.848976 257.6445 7.734948 -6.800003      11.01979 
1 1 1 2   2  20 o 243.0476 6.155839 1734.049       87.67574 1713.950       125.5653 1753.172       122.4768 241.4954 8.880769 244.2653 8.562763 -2.769928      12.33649 
1 1 1 2   2  21 o 920.4510 11.19777 24881.06       604.4811 24594.99       840.9595 25186.88       869.4849 914.4903 15.67998 925.3692 16.02125 -10.87891      22.41745 
1 1 1 2   2  22 o 514.3425 6.958744 7762.488       209.9103 7737.173       295.8014 7788.168       297.9259 513.3412 9.825248 515.0276 9.863414 -1.686401      13.92201 
1 1 1 2   2  23 o 554.2714 7.265313 9015.912       236.1714 9055.020       335.8860 8977.673       332.1391 555.2488 10.31463 552.8784 10.24330 2.370422       14.53674 
1 1 1 2   2  24 o 1105.767 13.26321 35968.66       860.1279 35576.51       1197.906 36386.02       1235.788 1098.044 18.60169 1110.326 18.97767 -12.28162      26.57395 
1 1 1 2   2  25 o 505.3041 6.806102 7494.681       201.6981 7329.685       277.8325 7678.537       293.2826 499.4800 9.484501 511.1969 9.782447 -11.71692      13.62542 
1 1 1 2   2  26 o 604.6705 7.750424 10737.68       274.8494 10833.41       392.9468 10645.97       384.5796 606.8917 11.04008 601.6418 10.89928 5.249817       15.51379 
1 1 1 2   2  27 o 590.1409 7.599707 10229.93       263.0287 10100.72       365.8204 10368.21       378.4589 585.9221 10.64578 593.5873 10.87135 -7.665161      15.21575 
1 1 1 2   2  28 o 258.8907 5.366290 1967.356       81.47813 1933.702       115.1712 2001.075       115.2838 256.4210 7.667040 260.8657 7.543228 -4.444672      10.75564 
1 1 1 2   2  29 o 183.0856 5.991016 985.3574       64.24214 1014.069       93.17055 959.3354       88.69855 185.5004 8.587430 180.4331 8.405136 5.067291       12.01625 
1 1 1 2   2  30 o 307.1868 6.524515 2772.220       117.5442 2799.719       141.0881 2709.822       212.5255 308.4861 7.804644 302.8138 11.99069 5.672333       14.30696 
1 1 1 2   2  31 o 124.8149 7.892992 459.9796       57.48156 419.0197       83.16760 497.4408       79.53633 118.5225 12.13590 129.4821 10.56559 -10.95960      16.09074 
1 1 1 2   2  32 o 243.1845 5.590164 1736.823       79.72802 1765.287       115.0800 1710.551       110.5606 244.8409 8.025141 241.0353 7.831521 3.805588       11.21319 
1 1 1 2   2  33 o 203.6734 6.091319 1219.718       72.67881 1219.000       106.5089 1220.343       99.42323 203.2962 8.955155 203.4855 8.348862 -0.1892242     12.24330 
1 1 1 2   2  34 o 86.32055 14.10080 226.1445       68.92300 194.3915       73.53166 455.8979       197.7939 79.49870 16.31833 120.0635 28.51607 -40.56479      32.85505 
1 1 1 2   2  35 o 175.2761 8.187219 905.8900       83.92818 957.2046       90.91581 610.0369       218.3017 180.1281 8.631234 139.3252 27.69210 40.80293       29.00604 
1 1 1 2   2  36 o 332.6563 6.600011 3253.018       128.7630 3256.229       145.2211 3241.213       278.4632 332.7088 7.442432 330.2151 14.41344 2.493683       16.22150 
1 1 1 2   2  37 o 185.6601 7.983899 1016.799       86.72974 982.2336       93.51432 1229.415       231.9284 182.3589 8.769510 201.2906 19.90666 -18.93161      21.75269 
1 1 1 2   2  38 o 58.50487 19.68899 97.47000       79.89384 130.5490       85.87774 -115.3850      217.8445 65.66370 20.27194 60.66127 27.66432 5.002430       34.29674 
1 1 1 2   2  39 o 115.3407 11.92670 398.6761       79.51521 387.8343       85.22964 471.4903       220.8758 113.5063 13.03982 119.9389 31.13230 -6.432533      33.75288 
1 1 1 2   2  40 o 161.3043 9.268989 771.5042       87.31649 796.6705       92.27366 555.9798       270.0324 163.8483 9.645185 128.3382 34.94337 35.51007       36.25008 
1 1 1 2   2  41 o 45.50438 18.60864 26.10646       78.82467 -93.66370      109.6158 154.3609       113.4319 40.49163 18.87317 71.34263 23.44499 -30.85100      30.09758 
1 1 1 2   2  42 o 244.8075 7.920407 1774.397       113.5666 1790.931       162.0982 1758.458       159.1571 244.7300 11.32451 242.5399 11.21942 2.190063       15.94114 
1 1 1 2   2  43 o 120.7777 12.95984 444.2189       90.36475 594.4439       120.2710 249.4828       136.9345 139.1053 14.97812 86.50403 25.35736 52.60123       29.45063 
1 1 1 2   2  44 o 164.0324 9.659742 805.4182       92.51645 765.8246       127.3073 849.7303       134.6797 158.2434 13.85728 166.7209 13.90041 -8.477554      19.62767 
1 1 1 2   2  45 o 140.3771 10.86022 595.3101       88.71500 563.2086       124.4474 628.4800       126.5017 134.1885 16.13663 142.2105 15.41366 -8.022003      22.31528 
1 1 1 2   2  46 o 141.9931 11.09817 611.9024       91.68697 632.8040       130.7502 591.6805       128.6063 141.9192 15.98689 136.9898 16.32855 4.929398       22.85174 
1 1 1 2   2  47 o 49.21571 19.62136 50.87114       85.19829 55.76539       124.7262 46.58979       116.6554 55.99682 23.20505 53.74369 22.37095 2.253132       32.23249 
1 1 1 2   2  48 o 31.97387 15.50587 -134.8856      90.51274 -241.6670      132.0272 -40.19479      124.3282 35.95276 17.70418 46.25913 21.01953 -10.30637      27.48197 
1 1 1 2   2  49 o 125.0429 14.60831 493.7012       105.1134 581.9595       154.4920 417.6302       143.4293 131.4980 20.71739 109.3130 23.09706 22.18499       31.02716 
1 1 1 2   2  50 o 157.2808 12.71048 767.7386       116.2453 728.9222       162.7606 808.1551       166.0812 148.2447 19.16890 156.8536 18.40372 -8.608932      26.57336 
1 1 1 2   2  51 o 47.84400 21.24959 -4.090882      119.2364 -122.6050      168.8937 113.6742       168.3591 47.73342 22.61191 65.26436 26.99492 -17.53094      35.21397 
1 1 1 2   3  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   3  1  o 456.5457 11.99574 6126.022       320.9116 6126.022       320.9116 0.000000       0.000000 456.5457 11.99574 ?        ?        0.000000       11.99574 
1 1 1 2   3  2  o 498.6709 8.031613 7297.239       234.8915 7388.223       306.2600 7167.260       366.0538 501.6484 10.40975 493.7878 12.65062 7.860535       16.38295 
1 1 1 2   3  3  o 331.2399 6.694825 3219.002       130.0566 3233.362       184.4597 3204.806       183.4005 331.7597 9.490167 330.2910 9.477692 1.468658       13.41230 
1 1 1 2   3  4  f 367.1232 5.045996 3953.362       108.6449 3782.570       145.9288 4165.760       162.7358 359.0607 6.929828 376.7963 7.364204 -17.73560      10.11207 
1 1 1 2   3  5  o 305.5719 4.487622 2738.698       80.42300 2636.317       109.6038 2858.115       118.3722 299.7749 6.234187 312.1254 6.466513 -12.35056      8.982253 
1 1 1 2   3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   3  7  o 700.0346 8.576249 14382.89       352.1011 14478.43       502.4593 14290.71       493.5526 702.0358 12.20369 697.4839 12.06560 4.551880       17.16125 
1 1 1 2   3  8  o 644.4316 7.964658 12188.40       301.0194 12101.72       421.5650 12278.58       429.9709 641.8671 11.19873 646.5266 11.33972 -4.659424      15.93740 
1 1 1 2   3  9  o 250.4811 4.150085 1840.300       60.96528 1828.014       85.50822 1853.003       86.94559 249.6103 5.841103 251.3092 5.899139 -1.698914      8.301706 
1 1 1 2   3  10 o 626.7910 7.784103 11533.71       286.1422 11660.49       410.3461 11413.72       399.2157 629.8486 11.10871 623.1726 10.92317 6.676025       15.57944 
1 1 1 2   3  11 o 534.2855 6.794896 8379.273       212.9152 8290.152       297.0600 8473.424       305.3253 531.1765 9.535749 536.9979 9.694818 -5.821411      13.59853 
1 1 1 2   3  12 o 398.5969 5.438122 4662.005       127.1257 4671.375       180.2799 4652.737       179.2900 398.8658 7.706727 398.0711 7.679713 0.7946777      10.87987 
1 1 1 2   3  13 o 608.6350 7.616301 10875.01       271.8639 11002.64       390.2565 10754.67       378.9405 611.8339 10.87592 604.9250 10.68117 6.908875       15.24379 
1 1 1 2   3  14 o 611.0886 7.651201 10960.55       274.2107 11066.39       392.3690 10859.50       383.3723 613.7388 10.90086 607.9903 10.75161 5.748474       15.31097 
1 1 1 2   3  15 f 495.1170 6.465098 7192.230       187.7299 7021.568       257.6337 7385.422       274.1122 489.0884 8.981829 501.5811 9.318299 -12.49277      12.94233 
1 1 1 2   3  16 o 598.2242 7.552437 10500.43       264.9730 10508.18       374.6673 10492.68       374.7895 598.2668 10.67826 597.8247 10.68964 0.4420776      15.10939 
1 1 1 2   3  17 o 247.9592 5.482064 1803.466       79.72138 1802.725       100.6286 1804.715       130.6441 247.7898 6.931296 247.8205 9.003777 -0.3070068E-01 11.36270 
1 1 1 2   3  18 o 557.4083 7.187084 9115.673       234.9507 9117.303       332.0220 9114.039       332.5195 557.3166 10.15814 557.2159 10.17520 0.1007080      14.37785 
1 1 1 2   3  19 o 266.2370 5.587063 2079.210       87.23737 2062.402       120.9101 2097.461       125.9913 265.0040 7.788092 267.2354 8.048059 -2.231415      11.19936 
1 1 1 2   3  20 o 704.3698 8.883060 14561.32       366.9559 14395.47       510.9796 14737.93       527.3137 700.0533 12.44577 708.3069 12.69396 -8.253601      17.77734 
1 1 1 2   3  21 o 129.7894 9.549333 497.1776       72.17909 479.7752       108.0210 511.2149       97.01669 126.8923 14.79226 131.2921 12.76038 -4.399818      19.53556 
1 1 1 2   3  22 o 257.4980 5.792640 1945.190       87.47841 1876.546       125.8501 2009.362       121.6815 252.7061 8.503675 261.5394 7.942189 -8.833374      11.63576 
1 1 1 2   3  23 o 661.9235 8.352660 12861.80       324.2523 12899.28       460.3290 12824.88       456.8153 662.5283 11.84714 660.6216 11.79064 1.906616       16.71448 
1 1 1 2   3  24 o 488.9668 6.671500 7016.736       191.3169 7119.982       274.8913 6919.747       266.4329 492.3421 9.520143 485.3832 9.359498 6.958862       13.35041 
1 1 1 2   3  25 o 384.0530 5.883489 4328.407       132.5185 4305.973       187.8559 4350.629       186.9663 382.9101 8.365221 384.8962 8.282648 -1.986145      11.77197 
1 1 1 2   3  26 o 414.5291 6.008222 5043.482       146.0668 4895.144       199.4119 5215.210       214.5581 408.2145 8.329369 421.3163 8.683326 -13.10184      12.03240 
1 1 1 2   3  27 f 221.4114 6.262033 1440.384       81.23243 1405.323       104.0295 1495.163       130.0329 218.5486 8.130473 225.2615 9.866665 -6.712830      12.78498 
1 1 1 2   3  28 o 596.3718 7.650982 10450.57       267.5992 10279.28       370.0695 10638.28       387.4107 590.8943 10.67881 601.0536 10.99026 -10.15930      15.32393 
1 1 1 2   3  29 o 203.3844 5.833695 1215.598       69.51251 1234.916       102.8572 1199.358       94.30920 204.7409 8.585075 201.8302 7.983161 2.910721       11.72324 
1 1 1 2   3  30 o 270.2238 5.440377 2144.038       86.21902 2330.619       129.4317 1995.201       115.6013 281.4302 7.849535 260.4075 7.577408 21.02271       10.91019 
1 1 1 2   3  31 o 343.6234 6.355798 3469.079       128.0865 3611.625       225.5111 3401.191       155.6261 349.7767 11.00696 340.0803 7.802797 9.696442       13.49210 
1 1 1 2   3  32 o 42.46788 16.07449 38.58906       54.91622 26.80938       58.65892 122.1621       156.2430 41.08754 16.31355 72.34859 27.17279 -31.26106      31.69373 
1 1 1 2   3  33 o 182.2288 7.148489 977.6777       76.24976 986.3904       83.64850 934.8596       185.4368 182.9693 7.813226 176.2456 18.20175 6.723709       19.80783 
1 1 1 2   3  34 o 382.8961 6.746454 4308.594       151.4980 4313.360       172.6065 4292.603       316.1498 382.9830 7.684706 380.5022 14.19211 2.480743       16.13910 
1 1 1 2   3  35 o 39.78489 16.83785 3.713924       67.80757 30.83009       71.62775 -230.3462      210.4412 45.00597 17.97499 53.60780 25.34877 -8.601837      31.07508 
1 1 1 2   3  36 o 153.9253 9.162748 700.5494       82.34109 697.2986       88.91117 720.1390       218.2575 153.4558 9.932575 152.1129 25.35761 1.342850       27.23351 
1 1 1 2   3  37 o 102.3052 12.89919 314.9926       75.67768 265.5569       80.42294 697.2111       223.6225 93.30760 15.22066 148.8247 26.59685 -55.51709      30.64410 
1 1 1 2   3  38 o 176.6530 8.412148 921.9773       86.90183 962.9584       93.96931 679.8701       228.4010 180.4647 8.906089 146.0882 27.67105 34.37646       29.06897 
1 1 1 2   3  39 o 187.7261 8.117929 1040.905       89.16464 987.9764       95.17854 1420.474       254.8827 182.7463 8.907382 215.5757 20.40276 -32.82941      22.26239 
1 1 1 2   3  40 o 119.0008 12.15957 425.1848       83.67147 382.6631       88.10423 816.1422       267.1507 112.4833 13.63338 158.3071 29.86920 -45.82377      32.83349 
1 1 1 2   3  41 o 125.1254 11.41862 469.4324       82.87096 496.3185       87.97467 257.6734       246.8964 128.5936 11.79639 93.27186 34.32336 35.32172       36.29391 
1 1 1 2   3  42 f 54.14655 21.16013 61.78074       97.31352 38.60740       106.5020 178.9603       239.4913 52.59110 21.58247 83.66598 33.04403 -31.07487      39.46785 
1 1 1 2   3  43 o 220.4521 8.071217 1442.509       104.1766 1372.363       146.6764 1513.915       147.9881 213.5771 11.75529 224.5768 11.27203 -10.99966      16.28636 
1 1 1 2   3  44 o 46.02858 20.38438 -19.45905      108.9425 -19.45905      108.9425 0.000000       0.000000 46.02858 20.38438 ?        ?        0.000000       20.38438 
1 1 1 2   3  45 o 248.5801 8.223701 1839.690       119.7253 1889.040       166.7378 1787.164       172.0200 250.1768 11.39404 242.8740 12.11492 7.302826       16.63116 
1 1 1 2   3  46 o 48.82599 19.56488 47.19429       85.14421 97.79799       120.8401 -2.698746      119.9886 61.04213 23.65706 49.29015 21.62730 11.75198       32.05303 
1 1 1 2   3  47 o 125.6510 12.85030 487.1396       93.36347 463.6410       134.0004 509.3089       130.1553 118.6029 19.97357 125.5324 18.20989 -6.929474      27.02857 
1 1 1 2   3  48 o 73.09541 21.24321 182.2813       96.46964 195.7108       136.3930 168.8377       136.4644 75.06937 25.71960 71.15627 25.61638 3.913094       36.30009 
1 1 1 2   3  49 o 182.6981 11.99657 1025.926       127.8298 1070.066       168.6092 966.2611       196.0313 183.5616 15.81614 170.6192 19.96781 12.94241       25.47281 
1 1 1 2   3  50 o 48.86551 21.03250 21.89135       109.0292 -122.0936      158.8158 150.2446       149.9473 46.33241 21.94194 68.36613 26.39118 -22.03373      34.32117 
1 1 1 2   3  51 o 46.17280 20.72498 -17.35173      116.6188 -0.1532796     171.3725 -32.18492      159.1525 55.82384 25.08479 51.86074 23.64891 3.963104       34.47489 
1 1 1 2   4  0  o 311.0880 12.55652 2847.396       228.6176 0.000000       0.000000 2847.396       228.6176 ?        ?        311.0880 12.55652 0.000000       12.55652 
1 1 1 2   4  1  o 611.2998 15.27570 10986.27       547.6536 10986.27       547.6536 0.000000       0.000000 611.2998 15.27570 ?        ?        0.000000       15.27570 
1 1 1 2   4  2  o 203.1292 4.926235 1210.269       58.68646 1256.309       75.66022 1140.732       92.98290 206.8458 6.244070 196.9983 8.065092 9.847534       10.19971 
1 1 1 2   4  3  o 1067.715 16.06058 33525.09       1005.697 33713.59       1303.150 33247.47       1581.449 1069.689 20.77238 1061.016 25.41457 8.672974       32.82365 
1 1 1 2   4  4  o 423.1606 5.617265 5252.701       139.4057 5322.191       200.0318 5187.077       194.3883 425.8738 8.008801 420.4378 7.883478 5.435944       11.23789 
1 1 1 2   4  5  o 270.2755 4.221867 2142.494       66.92091 2099.859       92.68612 2188.925       96.72385 267.5475 5.906949 273.1603 6.037616 -5.612762      8.446588 
1 1 1 2   4  6  o 348.0679 4.888469 3553.614       99.79008 3505.258       139.0712 3604.934       143.2715 345.6446 6.860518 350.5215 6.969387 -4.876862      9.779522 
1 1 1 2   4  7  o 367.5412 5.070798 3962.561       109.3032 3934.743       153.2771 3991.343       155.9128 366.1897 7.137082 368.8116 7.208195 -2.621948      10.14377 
1 1 1 2   4  8  o 668.1718 8.231766 13104.64       322.5757 12912.31       446.9718 13313.70       466.0050 662.9401 11.49623 673.1301 11.80432 -10.19000      16.47742 
1 1 1 2   4  9  o 251.6274 4.179879 1857.233       61.68396 1815.014       85.28867 1903.537       89.31944 248.7153 5.847069 254.7050 5.979405 -5.989655      8.363104 
1 1 1 2   4  10 o 392.0571 5.338713 4510.016       122.7542 4527.001       174.1547 4493.245       173.0519 392.6770 7.562220 391.2115 7.542482 1.465546       10.68065 
1 1 1 2   4  11 o 555.1396 7.020441 9047.092       228.5689 9039.013       322.6304 9055.233       323.8635 554.5839 9.919448 555.0777 9.948503 -0.4937744     14.04878 
1 1 1 2   4  12 o 112.4801 4.763084 371.8454       31.34948 382.7799       45.74531 362.1626       43.04731 113.9872 6.874852 110.8808 6.650277 3.106468       9.565028 
1 1 1 2   4  13 o 452.0957 6.881448 5998.807       182.4571 6206.821       233.4084 5671.987       292.5656 459.7492 8.656551 439.1268 11.36968 20.62234       14.29005 
1 1 1 2   4  14 o 887.0399 10.71788 23112.44       557.5739 23333.10       797.7797 22901.73       779.5920 890.4839 15.27588 882.2554 15.06685 8.228455       21.45606 
1 1 1 2   4  15 o 755.8660 9.250111 16770.66       410.0551 16799.80       580.6591 16741.66       579.1549 756.1382 13.09391 754.8302 13.08263 1.308044       18.50961 
1 1 1 2   4  16 o 367.4906 5.364871 3961.323       115.6261 3991.351       163.6591 3931.396       163.3814 368.8274 7.566003 366.0455 7.610565 2.781860       10.73150 
1 1 1 2   4  17 o 684.7964 8.506554 13760.94       341.6376 13685.88       478.6036 13838.93       487.8255 682.6928 11.95364 686.4866 12.11663 -3.793762      17.02064 
1 1 1 2   4  18 o 449.6649 6.221247 5931.521       164.0654 5838.889       225.9642 6034.800       238.5979 446.0600 8.637652 453.4683 8.971586 -7.408234      12.45385 
1 1 1 2   4  19 o 596.4747 7.714759 10439.44       269.8764 10367.83       376.8680 10514.80       386.6455 594.2458 10.81366 598.4289 11.01666 -4.183044      15.43703 
1 1 1 2   4  20 o 248.2273 6.338021 1808.833       92.19309 1848.671       134.2727 1773.300       126.8087 250.8003 9.144010 245.6476 8.816393 5.152695       12.70204 
1 1 1 2   4  21 o 197.5114 6.902850 1146.009       79.83677 1171.471       119.0822 1125.220       107.6012 199.4857 10.21251 195.5564 9.409591 3.929291       13.88653 
1 1 1 2   4  22 o 562.4279 7.374291 9282.706       243.2415 9239.237       341.7757 9327.323       346.2591 560.9059 10.38964 563.5665 10.47624 -2.660583      14.75454 
1 1 1 2   4  23 o 256.2644 5.615219 1926.703       84.39281 1955.519       120.8678 1899.290       117.8870 257.9836 7.998210 254.2491 7.915624 3.734512       11.25293 
1 1 1 2   4  24 o 164.5594 6.596689 796.0109       63.53575 762.9588       93.32687 824.5624       86.74046 160.8465 9.941970 167.3293 8.870616 -6.482773      13.32406 
1 1 1 2   4  25 o 424.0807 6.126306 5278.124       152.3694 5412.765       221.3742 5156.919       210.0380 429.2660 8.793262 419.0180 8.547021 10.24805       12.26267 
1 1 1 2   4  26 o 508.7253 7.841477 7601.290       233.9547 7526.420       400.5605 7640.054       288.2264 505.2315 13.53064 509.8110 9.639935 -4.579498      16.61344 
1 1 1 2   4  27 o 171.0370 6.244939 860.0028       62.53729 826.9186       91.14785 889.4294       85.96198 167.4458 9.318328 173.7623 8.460730 -6.316513      12.58631 
1 1 1 2   4  28 o 191.7334 5.766542 1080.241       64.76941 1056.449       89.71774 1106.136       93.60119 189.4155 8.094962 193.8110 8.253686 -4.395462      11.56078 
1 1 1 2   4  29 o 413.4185 6.498490 5020.291       157.5625 4918.879       179.8862 5354.502       326.5607 409.1081 7.497374 425.6700 13.09656 -16.56189      15.09074 
1 1 1 2   4  30 o 405.7286 6.382398 4835.944       151.8693 4774.445       174.5327 5027.691       308.1826 403.0166 7.384197 412.3808 12.75798 -9.364197      14.74084 
1 1 1 2   4  31 o 550.4664 7.744142 8910.912       250.0084 8916.551       293.7336 8896.088       476.2622 550.3417 9.100613 547.7317 14.83980 2.610046       17.40807 
1 1 1 2   4  32 o 108.7352 10.18299 351.4714       64.18209 364.7231       69.48552 274.4668       167.5008 110.6853 10.84315 94.20051 28.15623 16.48483       30.17196 
1 1 1 2   4  33 o 80.01323 14.43875 195.2901       65.26261 232.4109       69.95966 -53.63788      181.1655 87.53144 14.10748 59.11953 26.22878 28.41191       29.78204 
1 1 1 2   4  34 o 306.3741 7.730993 2762.198       138.8004 2680.617       159.0428 3022.884       284.3022 301.6236 9.000866 318.9273 15.24394 -17.30371      17.70292 
1 1 1 2   4  35 o 34.42410 16.77003 -194.1834      109.1559 -213.2174      127.4501 -141.7888      211.4551 37.81371 18.35238 58.53892 26.90499 -20.72521      32.56820 
1 1 1 2   4  36 o 185.2688 7.988880 1012.121       86.59982 1006.245       93.53899 1047.376       229.1142 184.6396 8.662230 185.3866 21.46926 -0.7469788     23.15088 
1 1 1 2   4  37 o 216.0228 7.477393 1375.176       94.58994 1354.354       102.2201 1499.234       249.5118 214.2802 8.148841 222.5762 19.30517 -8.296036      20.95455 
1 1 1 2   4  38 o 368.1958 6.856509 3989.517       148.0582 4017.549       167.0410 3886.782       319.7798 369.3136 7.712184 360.6492 15.15250 8.664368       17.00223 
1 1 1 2   4  39 o 238.9631 7.243841 1683.306       101.4025 1641.571       109.2057 1944.430       273.1615 235.8609 7.905927 253.3073 18.51531 -17.44640      20.13257 
1 1 1 2   4  40 o 195.4854 10.42692 1135.296       119.1096 1232.867       133.4559 753.2620       264.0756 203.5298 11.22390 151.3971 30.79102 52.13269       32.77290 
1 1 1 2   4  41 o 32.48244 15.31745 -80.87109      75.87434 -77.97094      79.92308 -107.3397      241.4500 33.90953 15.90577 63.70078 29.07887 -29.79126      33.14474 
1 1 1 2   4  42 o 229.0025 7.475270 1551.656       100.2618 1547.427       108.0981 1577.690       268.2188 228.5189 8.078469 224.4932 20.60159 4.025696       22.12888 
1 1 1 2   4  43 o 32.55782 15.21315 -64.01942      71.94660 -50.78355      75.65218 -189.2858      232.7355 34.88959 16.05646 56.77663 26.78988 -21.88704      31.23311 
1 1 1 2   4  44 o 155.1789 9.652909 721.2758       87.41492 692.4564       124.4031 749.3838       122.8582 150.1749 14.29713 156.6429 13.50517 -6.468033      19.66717 
1 1 1 2   4  45 o 157.1364 12.91051 754.2018       117.9307 765.6062       130.2101 702.1486       278.1847 157.6582 14.23564 135.8202 34.77692 21.83803       37.57776 
1 1 1 2   4  46 o 149.9218 13.81898 694.3940       120.1378 559.3347       234.9629 742.2015       139.7928 121.2192 32.42057 153.9244 15.70538 -32.70520      36.02433 
1 1 1 2   4  47 o 64.12803 20.43886 134.6217       86.60671 176.0000       126.9730 98.62218       118.4332 72.42205 24.81546 60.52078 23.42976 11.90127       34.12859 
1 1 1 2   4  48 o 38.70734 17.83899 -53.39651      93.85544 185.3126       134.8087 -277.9406      130.7477 73.44388 25.55126 34.22956 16.99218 39.21431       30.68552 
1 1 1 2   4  49 o 117.0602 16.39114 441.2396       109.4502 596.0192       156.3347 292.4449       153.2824 133.0656 20.70594 88.60696 27.03323 44.45868       34.05189 
1 1 1 2   4  50 o 60.15480 22.49266 110.8804       106.8080 165.7155       165.5730 71.79897       139.7801 70.92515 27.63444 58.49876 24.42976 12.42639       36.88462 
1 1 1 2   4  51 o 59.05967 23.31382 96.85967       119.1598 116.0636       178.3749 81.38296       160.1321 66.23946 27.62478 61.36868 25.91921 4.870781       37.88052 
1 1 1 2   5  0  o 261.2808 4.787186 2002.376       73.35645 1981.193       90.66795 2042.521       124.8161 259.8771 5.948881 263.7015 8.080164 -3.824402      10.03385 
1 1 1 2   5  1  o 375.8224 6.503991 4143.710       143.3551 4006.039       221.7684 4242.529       187.8875 369.2563 10.25042 380.2169 8.425895 -10.96051      13.26902 
1 1 1 2   5  2  o 922.8241 15.72153 25040.68       850.8722 25286.27       1219.402 24807.63       1187.848 926.0248 22.45297 917.3025 22.07994 8.722290       31.49063 
1 1 1 2   5  3  o 979.4561 16.63972 28217.62       955.8317 28573.03       1375.013 27885.28       1329.629 984.0266 23.82591 972.2396 23.31883 11.78699       33.33829 
1 1 1 2   5  4  o 434.6153 8.193192 5543.108       208.8376 5647.367       300.9762 5446.308       290.0109 438.3576 11.71771 430.4961 11.49697 7.861542       16.41600 
1 1 1 2   5  5  o 701.5798 9.970087 14450.41       410.2292 14543.69       506.8857 14273.31       698.4080 703.6288 12.28332 696.4816 17.09814 7.147156       21.05295 
1 1 1 2   5  6  o 785.1691 9.552689 18098.68       439.8852 18452.89       637.9600 17777.65       607.3513 792.3295 13.72894 777.7526 13.31521 14.57697       19.12534 
1 1 1 2   5  7  o 741.5421 9.051667 16143.23       393.6542 16220.04       560.1422 16068.28       553.3423 742.8707 12.85685 739.4000 12.76039 3.470703       18.11425 
1 1 1 2   5  8  o 291.9990 4.446606 2501.047       76.14837 2605.274       111.3672 2409.532       104.3546 297.9712 6.372833 286.5636 6.209264 11.40753       8.897638 
1 1 1 2   5  9  o 155.4869 3.904130 709.5917       35.57337 759.5869       51.62329 664.3846       49.08902 160.8059 5.481871 150.3739 5.575889 10.43193       7.819300 
1 1 1 2   5  10 o 306.6764 4.594607 2759.184       82.63789 2875.864       120.8484 2656.704       113.2560 313.0179 6.582960 300.8615 6.418654 12.15634       9.194263 
1 1 1 2   5  11 o 435.2920 5.778130 5560.404       147.5090 5482.560       204.8867 5644.174       212.5423 432.0797 8.085361 438.3873 8.266788 -6.307648      11.56343 
1 1 1 2   5  12 o 735.2717 9.000959 15879.49       388.1389 15797.17       545.0851 15964.16       552.8192 732.7650 12.68379 736.6063 12.79667 -3.841309      18.01759 
1 1 1 2   5  13 o 552.6105 9.861891 8969.698       319.6170 9113.489       461.7142 8837.395       442.8868 556.3555 14.16197 547.9149 13.79350 8.440674       19.76922 
1 1 1 2   5  14 o 515.9857 6.646344 7811.881       201.1273 7865.302       286.4044 7759.904       282.5094 517.5898 9.435035 514.1144 9.369633 3.475403       13.29699 
1 1 1 2   5  15 o 362.6151 7.204305 3858.006       153.2105 3952.551       224.0384 3774.947       209.9881 366.7682 10.42609 358.4560 9.998455 8.312195       14.44550 
1 1 1 2   5  16 o 230.7260 6.049982 1562.674       81.79488 1787.768       129.0018 1411.337       105.7760 246.6553 8.932491 219.1559 8.244390 27.49947       12.15563 
1 1 1 2   5  17 o 437.7009 6.007369 5619.890       154.2099 5516.878       212.9457 5733.486       223.6169 433.5990 8.373945 442.0201 8.626052 -8.421021      12.02213 
1 1 1 2   5  18 o 194.2290 5.632017 1107.523       64.08697 1113.441       91.36351 1101.791       89.91907 194.6320 8.021209 193.6142 7.935705 1.017761       11.28340 
1 1 1 2   5  19 o 389.6808 6.116991 4454.641       139.7968 4398.709       194.3278 4514.634       201.2595 387.1523 8.558596 392.2137 8.749497 -5.061432      12.23941 
1 1 1 2   5  20 o 772.6458 9.638149 17524.49       436.7416 17352.78       608.9127 17706.41       626.7661 768.4554 13.51095 776.2148 13.76807 -7.759338      19.29003 
1 1 1 2   5  21 o 132.9360 9.325793 521.3213       72.24621 625.9202       112.5099 447.9300       94.24310 145.3290 13.34944 122.7426 13.30442 22.58636       18.84715 
1 1 1 2   5  22 o 721.3497 8.991189 15275.78       380.3763 15440.69       544.7664 15118.89       531.3512 724.8105 12.81549 717.2414 12.63182 7.569092       17.99443 
1 1 1 2   5  23 o 563.6291 7.349038 9323.878       242.9262 9384.927       345.6486 9264.289       341.4884 565.2147 10.42727 561.5759 10.36852 3.638794       14.70491 
1 1 1 2   5  24 o 348.5582 5.697439 3564.907       116.4677 3536.908       165.0994 3592.643       164.3238 347.0732 8.110991 349.8027 8.009892 -2.729553      11.39941 
1 1 1 2   5  25 o 158.2450 6.923713 736.5228       64.10136 753.4429       69.33855 637.0390       168.1318 160.0215 7.408429 145.3490 20.27463 14.67253       21.58577 
1 1 1 2   5  26 o 35.88710 14.45390 16.87849       46.72240 27.40511       49.09101 -84.37744      152.2537 38.74592 15.06114 51.58538 23.36863 -12.83946      27.80163 
1 1 1 2   5  27 o 668.2430 9.028640 13128.51       353.8403 13169.55       418.5376 13025.71       662.4965 668.9434 10.66829 663.2097 17.04678 5.733704       20.10983 
1 1 1 2   5  28 o 441.2962 6.704243 5719.918       173.5124 5716.992       201.2156 5728.404       342.6644 441.0588 7.778837 440.3780 13.28280 0.6808167      15.39295 
1 1 1 2   5  29 o 102.9735 9.445844 314.6523       56.40995 337.4355       60.39875 159.0530       157.8430 106.6247 9.767109 77.53928 27.59202 29.08539       29.26971 
1 1 1 2   5  30 o 278.9846 5.951348 2286.015       97.37471 2240.667       109.3420 2459.828       214.0658 276.1400 6.751608 288.3035 12.69148 -12.16345      14.37560 
1 1 1 2   5  31 o 173.4769 6.955479 885.9480       70.62164 885.6040       78.12221 887.4857       165.1755 173.3663 7.702734 172.0686 16.57268 1.297745       18.27528 
1 1 1 2   5  32 o 310.4023 8.413878 2837.223       153.0280 2826.666       195.8176 2853.786       245.2658 309.4031 10.80797 310.2867 13.51032 -0.8835754     17.30147 
1 1 1 2   5  33 o 204.7403 7.372092 1234.033       88.37615 1253.605       97.38301 1142.664       210.4052 206.2809 8.065131 194.9266 18.63141 11.35426       20.30211 
1 1 1 2   5  34 o 443.6307 8.437614 5791.260       219.5289 5689.065       264.0612 6019.956       395.0210 439.3369 10.24841 450.3882 14.97570 -11.05124      18.14666 
1 1 1 2   5  35 o 137.7581 9.629574 561.8839       77.30921 516.3369       82.52409 888.4796       220.9816 131.8642 10.76453 170.4116 22.67297 -38.54736      25.09858 
1 1 1 2   5  36 o 250.4648 6.915483 1846.158       101.4855 1815.128       110.6570 2010.418       254.5946 248.2557 7.609254 259.1534 16.84228 -10.89771      18.48142 
1 1 1 2   5  37 o 251.3922 7.143250 1861.180       105.2102 1854.005       114.3901 1900.579       268.0462 250.8058 7.786221 251.0860 18.32899 -0.2801819     19.91424 
1 1 1 2   5  38 o 233.2221 7.502071 1603.529       102.4793 1655.175       110.9019 1301.733       268.0860 236.8671 7.994779 205.6087 22.60459 31.25835       23.97674 
1 1 1 2   5  39 o 198.9065 8.088168 1168.440       94.15489 1165.647       100.5871 1188.203       267.5929 198.5658 8.658301 195.4495 23.83731 3.116302       25.36107 
1 1 1 2   5  40 o 125.5240 12.33968 473.1685       89.66787 430.6924       95.10191 813.3141       269.1219 119.3314 13.84559 157.6302 30.21035 -38.29880      33.23199 
1 1 1 2   5  41 o 77.30269 18.31844 189.0321       81.76984 217.9032       86.61387 -47.63739      247.9860 83.08003 18.27398 68.06491 30.41091 15.01512       35.47904 
1 1 1 2   5  42 o 183.8495 8.460615 1003.614       90.98064 1052.340       97.89237 694.6539       246.5015 188.1463 8.896813 142.5393 30.41451 45.60707       31.68905 
1 1 1 2   5  43 o 282.7803 7.137377 2366.907       118.2745 2398.941       129.7744 2209.814       287.3850 284.4373 7.786831 266.2330 18.52115 18.20428       20.09149 
1 1 1 2   5  44 o 48.46260 18.52914 55.15758       73.42651 61.23656       76.63928 -12.82129      256.2848 50.08183 18.98192 68.73354 30.79745 -18.65170      36.17728 
1 1 1 2   5  45 o 216.5016 8.480312 1397.908       107.4689 1382.935       150.5433 1413.468       153.4669 213.5169 12.07122 215.8061 12.17490 -2.289215      17.14475 
1 1 1 2   5  46 o 147.9150 11.19508 664.5250       96.39473 679.0081       131.6958 647.8113       141.4743 147.2711 15.47880 142.7523 17.24757 4.518860       23.17481 
1 1 1 2   5  47 o 99.25925 16.34323 315.5505       91.83086 298.9628       129.4340 332.3628       130.3073 92.62611 23.72441 98.17938 23.03084 -5.553276      33.06459 
1 1 1 2   5  48 o 57.56881 21.38952 96.74371       96.28907 142.8488       142.3860 57.89074       130.7088 67.85575 25.83680 56.56208 23.62258 11.29367       35.00809 
1 1 1 2   5  49 o 60.23522 22.03775 112.1650       101.5478 317.1519       150.4690 -59.28659      137.6115 92.56606 26.41745 46.90809 21.61205 45.65797       34.13155 
1 1 1 2   5  50 o 94.77735 19.35387 303.7451       103.9360 403.2718       164.4565 237.5541       134.1160 103.5954 26.85015 80.43539 25.41020 23.15998       36.96767 
1 1 1 2   5  51 o 46.42564 20.71232 -10.25626      114.5921 101.0489       171.4185 -100.1838      154.0801 64.22321 26.95287 46.62103 21.93620 17.60219       34.75131 
1 1 1 2   6  0  o 560.5011 9.961739 9222.559       327.4629 8537.086       415.2987 10349.22       532.4297 539.0502 13.13654 593.1101 15.31934 -54.05994      20.18046 
1 1 1 2   6  1  o 634.8372 9.111507 11828.92       339.2369 11380.49       558.4123 12091.22       427.0797 622.1668 15.30374 641.6745 11.34863 -19.50769      19.05245 
1 1 1 2   6  2  o 436.6001 6.684149 5592.475       171.1514 5693.096       212.6721 5407.523       288.3318 440.4537 8.233032 428.9600 11.47137 11.49374       14.12003 
1 1 1 2   6  3  o 478.5238 8.856184 6720.766       248.5425 6628.376       344.8007 6820.692       358.5890 474.8579 12.39154 481.6722 12.70499 -6.814331      17.74731 
1 1 1 2   6  4  o 985.8634 16.75288 28596.87       968.6273 29148.89       1406.404 28098.73       1335.998 993.5360 24.13659 975.6932 23.34759 17.84283       33.58102 
1 1 1 2   6  5  o 353.8773 5.924243 3673.849       122.9521 3709.992       151.5884 3604.349       210.2040 355.5734 7.269191 350.2083 10.24545 5.365143       12.56226 
1 1 1 2   6  6  f 835.4152 11.72132 20505.07       574.2874 20408.76       699.2202 20704.72       1006.710 833.0577 14.31160 837.8180 20.48821 -4.760254      24.99178 
1 1 1 2   6  7  o 716.3373 9.306404 15067.83       390.9759 15151.18       463.9308 14863.56       726.3013 718.1187 11.01556 710.2452 17.43645 7.873474       20.62455 
1 1 1 2   6  8  o 748.7809 9.671800 16469.32       424.7296 16497.30       501.3199 16398.16       799.5094 749.1650 11.41003 745.5172 18.28586 3.647827       21.55369 
1 1 1 2   6  9  o 267.8593 4.648645 2104.913       73.02705 2099.144       84.14436 2122.519       147.0016 267.4716 5.364099 268.6277 9.345073 -1.156128      10.77515 
1 1 1 2   6  10 o 242.0123 4.159071 1718.174       59.03157 1747.658       84.39888 1689.937       82.59678 244.0312 5.897132 239.9684 5.868926 4.062820       8.319883 
1 1 1 2   6  11 o 325.5042 4.762976 3108.474       90.92545 3162.583       130.4883 3057.405       126.7684 328.2423 6.778389 322.7418 6.697385 5.500519       9.528984 
1 1 1 2   6  12 o 506.0383 7.514333 7517.068       223.0100 7837.389       288.6086 7042.396       351.3284 516.5412 9.526948 489.2179 12.25469 27.32327       15.52225 
1 1 1 2   6  13 o 726.1184 8.901616 15479.57       379.0765 15504.24       537.3538 15455.13       534.8452 726.2557 12.61596 725.1099 12.57690 1.145752       17.81407 
1 1 1 2   6  14 o 718.4057 12.44392 15162.95       524.2974 15547.85       767.1966 14825.67       718.1663 726.7150 18.00081 709.7510 17.25315 16.96399       24.93392 
1 1 1 2   6  15 o 911.2438 10.99905 24380.19       587.8145 23816.18       802.8937 25031.72       862.9411 900.1249 15.20914 922.6992 15.94669 -22.57428      22.03667 
1 1 1 2   6  16 o 664.7958 8.263833 12968.39       322.1961 13148.69       463.6883 12800.07       448.0237 669.1688 11.81517 660.2565 11.57012 8.912354       16.53680 
1 1 1 2   6  17 o 162.5992 6.766460 776.9690       64.38437 713.2675       72.01209 1030.781       143.7430 155.7125 7.911469 186.8641 13.20124 -31.15161      15.39039 
1 1 1 2   6  18 o 190.0015 6.050849 1060.080       67.33949 1034.351       89.75198 1093.218       101.8574 187.5694 8.178555 192.7902 9.033712 -5.220810      12.18592 
1 1 1 2   6  19 o 1042.974 14.54926 31972.28       889.9488 32384.64       1106.305 31216.11       1498.123 1049.038 17.98180 1028.290 24.84170 20.74805       30.66684 
1 1 1 2   6  20 o 555.1374 8.029263 9043.842       261.4127 8912.970       298.9221 9469.352       539.0022 551.0374 9.249677 567.1509 16.22138 -16.11353      18.67323 
1 1 1 2   6  21 o 577.0056 8.124641 9771.315       274.9380 9890.590       324.9276 9470.652       515.8870 580.4219 9.545358 567.2046 15.52290 13.21729       18.22290 
1 1 1 2   6  22 o 236.5979 6.399483 1643.692       88.71709 1690.375       98.72440 1447.810       202.2274 239.9045 7.024307 221.2522 15.68654 18.65234       17.18745 
1 1 1 2   6  23 o 740.4499 9.716513 16103.77       421.9458 16231.79       500.4912 15789.20       784.5565 743.1444 11.48346 731.6532 18.28388 11.49121       21.59097 
1 1 1 2   6  24 o 461.7649 6.837320 6258.621       185.1643 6190.801       212.3110 6474.121       378.4568 459.1837 7.883799 468.7600 13.78120 -9.576385      15.87689 
1 1 1 2   6  25 o 341.3439 6.848547 3420.533       137.1012 3420.533       137.1012 0.000000       0.000000 341.3439 6.848547 ?        ?        0.000000       6.848547 
1 1 1 2   6  26 o 73.59715 12.20788 163.7098       50.84737 147.1489       54.13852 287.6302       148.0935 69.44875 13.77858 96.45654 25.71237 -27.00780      29.17148 
1 1 1 2   6  27 o 147.4220 7.251019 639.9442       62.49963 630.5276       67.43604 697.2911       166.4178 146.2747 7.890102 152.1506 19.06743 -5.875854      20.63542 
1 1 1 2   6  28 o 325.1401 6.021249 3104.194       114.8174 3088.083       129.7614 3162.306       246.4392 324.2329 6.823985 327.1332 12.87013 -2.900360      14.56733 
1 1 1 2   6  29 o 594.2991 8.287766 10386.56       288.8638 10317.58       336.5970 10579.34       562.7206 592.0115 9.694593 597.2290 16.08040 -5.217529      18.77670 
1 1 1 2   6  30 o 309.4674 5.976331 2812.972       108.4676 2765.375       121.6600 2997.424       239.4981 306.7674 6.762200 318.2505 12.85812 -11.48315      14.52786 
1 1 1 2   6  31 o 99.90347 10.73303 297.6423       61.90089 305.6660       66.83758 249.2668       164.1141 101.1384 11.47051 90.40905 28.04293 10.72932       30.29816 
1 1 1 2   6  32 o 189.1888 7.347796 1053.920       81.37227 1050.053       89.41726 1072.550       196.2929 188.7575 8.096129 188.9593 17.92718 -0.2017822     19.67056 
1 1 1 2   6  33 o 40.29039 17.04996 3.800070       69.51434 46.87957       73.99230 -320.1424      202.9014 48.28890 18.56553 48.26706 23.36168 0.2183914E-01  29.84035 
1 1 1 2   6  34 o 196.3991 8.062212 1136.622       92.66592 1116.078       100.5120 1253.009       239.2390 194.5179 8.833705 203.7047 20.29511 -9.186798      22.13427 
1 1 1 2   6  35 o 484.4995 7.429734 6903.842       211.1140 6801.810       240.0705 7251.916       443.4102 480.6834 8.515873 493.9680 15.32435 -13.28458      17.53156 
1 1 1 2   6  36 o 134.8010 10.07390 539.0464       79.06594 503.5283       84.00289 814.8492       234.0824 130.0917 11.11660 161.8226 25.50869 -31.73088      27.82574 
1 1 1 2   6  37 o 94.77583 14.81481 273.5428       79.65228 269.7921       83.90761 307.7330       253.3348 93.88439 15.79950 101.2021 35.03686 -7.317688      38.43444 
1 1 1 2   6  38 o 244.1165 7.411248 1756.592       105.9829 1720.755       113.9086 1987.564       289.1815 241.4978 8.053795 255.9324 19.41088 -14.43459      21.01537 
1 1 1 2   6  39 o 227.8916 7.729851 1532.451       103.1623 1513.202       110.5836 1661.592       286.4330 226.3377 8.345020 232.7415 21.21756 -6.403732      22.79965 
1 1 1 2   6  40 o 109.6635 13.61934 364.3468       85.71116 340.2542       89.80489 610.6795       287.1568 105.5821 14.91821 133.5099 35.90014 -27.92783      38.87638 
1 1 1 2   6  41 o 140.9467 10.41450 593.3554       85.48022 625.2359       90.57069 333.4233       258.6158 144.6169 10.75570 101.0538 35.37453 43.56313       36.97354 
1 1 1 2   6  42 o 203.6357 7.941342 1229.435       94.65966 1240.102       101.3330 1156.352       265.2311 204.3644 8.473019 189.0208 24.50162 15.34357       25.92531 
1 1 1 2   6  43 f 198.9505 8.200480 1176.306       95.47789 1154.071       102.2364 1327.999       267.0331 196.8328 8.879266 202.7848 22.85064 -5.951965      24.51516 
1 1 1 2   6  44 o 64.37026 19.60767 132.5559       80.68201 129.6195       85.58841 155.9869       241.7703 63.94606 20.31117 79.40220 32.54412 -15.45614      38.36226 
1 1 1 2   6  45 o 215.4504 8.113150 1382.835       102.3318 1359.875       109.4504 1542.316       288.4617 213.3731 8.765016 216.1399 23.11482 -2.766785      24.72085 
1 1 1 2   6  46 o 171.2624 9.945627 883.7248       99.46542 913.9200       143.8774 856.0832       137.6593 171.6947 14.42161 166.2425 14.25682 5.452225       20.27904 
1 1 1 2   6  47 o 169.5047 10.95177 872.7889       108.2894 923.7686       152.0299 820.2865       154.2836 171.6738 15.25873 160.7684 16.60173 10.90540       22.54876 
1 1 1 2   6  48 o 225.4705 9.555974 1533.074       126.0751 1510.717       176.1750 1556.541       180.4978 220.6584 13.68090 223.8703 13.81483 -3.211960      19.44265 
1 1 1 2   6  49 o 64.80508 22.06139 139.9022       100.3215 136.1114       143.2993 143.5460       140.4944 66.56280 25.77135 67.32630 25.65756 -0.7635040     36.36582 
1 1 1 2   6  50 o 187.4377 11.08583 1076.052       121.3199 934.0792       171.9351 1216.832       171.2116 169.2735 17.57456 195.9687 15.01117 -26.69522      23.11278 
1 1 1 2   6  51 f 40.79991 19.08557 -76.66020      113.7553 -12.75853      160.2110 -141.6312      161.5459 53.33426 24.08438 45.49437 21.71054 7.839890       32.42538 
1 1 1 2   7  0  o 559.1169 9.918535 9177.745       325.2375 8825.453       436.2770 9618.450       487.9611 548.0000 13.57473 571.8118 14.56247 -23.81183      19.90826 
1 1 1 2   7  1  o 505.3503 7.482368 7493.735       221.7594 7188.020       257.6599 8367.238       435.5329 494.8668 8.877855 533.3675 13.93529 -38.50070      16.52298 
1 1 1 2   7  2  o 213.0585 3.996433 1331.385       49.93695 1410.302       72.16172 1258.864       69.17590 219.1891 5.618178 207.0751 5.701509 12.11398       8.004445 
1 1 1 2   7  3  o 581.0146 8.468518 9908.130       288.5659 10311.13       370.4087 9285.911       460.2584 592.5547 10.65865 562.0342 13.96331 30.52051       17.56647 
1 1 1 2   7  4  o 249.6264 4.959659 1827.871       72.60939 1844.971       86.90032 1788.322       132.1570 250.7739 5.908654 246.6437 9.152161 4.130173       10.89377 
1 1 1 2   7  5  o 480.7885 8.911933 6786.279       251.2907 6570.173       340.3649 7045.218       372.5725 472.6662 12.28876 489.3854 12.99253 -16.71924      17.88350 
1 1 1 2   7  6  o 342.0910 5.389689 3433.274       108.1324 3437.830       126.6516 3421.022       207.6930 342.2880 6.309113 341.1042 10.39421 1.183868       12.15913 
1 1 1 2   7  7  o 676.9296 8.889804 13456.77       352.9280 13317.17       410.2940 13853.92       692.0361 673.2296 10.39158 685.2576 17.23333 -12.02802      20.12393 
1 1 1 2   7  8  o 290.0730 4.826081 2468.594       82.10176 2476.991       95.33925 2444.498       161.5081 290.5413 5.595171 288.2878 9.565757 2.253448       11.08195 
1 1 1 2   7  9  o 335.2746 5.166216 3298.252       101.5836 3372.744       120.4982 3115.254       188.8641 339.0011 6.060787 325.4284 9.907166 13.57269       11.61400 
1 1 1 2   7  10 o 567.8106 7.584991 9466.225       252.5859 9528.818       299.1622 9310.827       471.3708 569.5429 8.956325 562.0424 14.31187 7.500488       16.88329 
1 1 1 2   7  11 o 361.6352 5.409941 3837.188       114.7397 3874.232       134.7482 3739.490       218.8288 363.3382 6.323559 356.5657 10.47576 6.772461       12.23638 
1 1 1 2   7  12 o 832.0007 10.70238 20337.08       522.2212 20138.26       607.1086 20902.68       1023.974 827.6380 12.50764 841.3015 20.75328 -13.66351      24.23097 
1 1 1 2   7  13 o 760.6575 14.72108 17015.98       656.7186 17015.98       656.7186 0.000000       0.000000 760.6575 14.72108 ?        ?        0.000000       14.72108 
1 1 1 2   7  14 o 886.9811 15.25099 23129.93       793.3466 21661.30       1016.679 25416.59       1268.611 857.5207 20.21570 927.8973 23.33042 -70.37659      30.87043 
1 1 1 2   7  15 o 419.0351 7.134350 5151.590       175.3297 5151.590       175.3297 0.000000       0.000000 419.0351 7.134350 ?        ?        0.000000       7.134350 
1 1 1 2   7  16 o 821.0490 10.63383 19789.51       512.0462 19592.11       595.0880 20352.46       1004.944 816.7803 12.42297 831.3893 20.61042 -14.60907      24.06491 
1 1 1 2   7  17 o 135.8037 7.969871 543.0139       63.19754 543.0139       63.19754 0.000000       0.000000 135.8037 7.969871 ?        ?        0.000000       7.969871 
1 1 1 2   7  18 o 628.3449 8.492472 11586.41       312.9556 11655.08       368.2695 11407.92       593.7260 630.1135 9.965441 622.6401 16.27312 7.473389       19.08205 
1 1 1 2   7  19 o 688.8343 9.246269 13927.35       373.5354 14121.97       443.5060 13452.36       692.8698 693.4999 10.90442 675.9230 17.49319 17.57690       20.61354 
1 1 1 2   7  20 o 619.3897 8.524770 11259.92       309.6686 11678.67       375.2829 10366.44       548.1847 630.6848 10.14602 593.4610 15.76409 37.22382       18.74696 
1 1 1 2   7  21 o 179.7974 7.031151 950.0331       73.99840 944.2624       79.89394 984.8613       196.2754 179.2153 7.618685 181.8967 18.66326 -2.681366      20.15841 
1 1 1 2   7  22 o 789.2674 10.28283 18297.18       475.9786 18626.31       572.1689 17557.57       857.6991 796.0593 12.25542 771.6306 18.95287 24.42865       22.57004 
1 1 1 2   7  23 o 139.3553 7.742100 571.8500       63.02636 573.4739       68.56241 562.9949       160.1028 139.5005 8.419494 136.5292 20.63859 2.971359       22.28989 
1 1 1 2   7  24 o 103.4945 12.27677 319.4923       73.06657 319.4923       73.06657 0.000000       0.000000 103.4945 12.27677 ?        ?        0.000000       12.27677 
1 1 1 2   7  25 o 310.5465 5.839869 2830.406       106.3605 2839.960       119.8579 2795.008       230.7054 311.0345 6.570637 307.8302 12.80695 3.204346       14.39414 
1 1 1 2   7  26 o 91.73927 10.37410 250.7089       54.83749 260.7344       58.39662 175.9026       159.5161 93.51168 10.84920 80.29909 27.80214 13.21259       29.84400 
1 1 1 2   7  27 o 198.7740 6.289367 1161.348       73.22682 1167.885       80.24959 1128.824       178.9939 199.2876 6.876431 194.7437 15.80780 4.543976       17.23867 
1 1 1 2   7  28 o 393.5450 6.413412 4548.804       148.0247 4629.040       172.9249 4328.817       286.3330 396.8934 7.429048 382.8048 12.77180 14.08856       14.77530 
1 1 1 2   7  29 o 543.4832 7.763368 8683.990       247.4496 8641.026       287.4972 8806.789       486.0455 541.8860 9.046388 545.1031 15.21854 -3.217102      17.70427 
1 1 1 2   7  30 f 297.6253 6.032810 2601.959       105.3028 2579.702       118.1845 2687.685       231.9467 296.2812 6.801517 301.2455 13.16031 -4.964325      14.81399 
1 1 1 2   7  31 o 272.2971 8.507565 2184.035       135.6955 2192.309       172.6875 2170.680       219.3955 272.4348 10.82963 270.4577 13.87818 1.977112       17.60355 
1 1 1 2   7  32 o 509.4244 7.576771 7631.295       226.3677 7531.550       259.6920 7946.846       461.8996 505.8471 8.753642 517.4318 15.23763 -11.58475      17.57303 
1 1 1 2   7  33 o 124.7233 11.43371 462.8116       82.70486 457.7702       88.75256 496.0671       227.9494 123.8823 12.38147 124.7918 31.22504 -0.9094162     33.59024 
1 1 1 2   7  34 o 328.2688 6.835586 3167.331       131.6000 3109.936       145.5834 3423.785       307.7358 325.1873 7.633572 339.3235 15.50467 -14.13626      17.28197 
1 1 1 2   7  35 o 97.23640 13.28298 284.9765       73.77041 292.0670       77.80370 221.8588       232.1349 98.34224 13.87503 91.33855 33.33508 7.003685       36.10740 
1 1 1 2   7  36 o 338.7155 6.772012 3373.871       134.5251 3324.638       147.7372 3612.782       325.4472 336.1277 7.494371 347.8948 15.99357 -11.76715      17.66239 
1 1 1 2   7  37 o 91.67049 15.16901 256.8011       78.70287 230.3955       82.38503 532.5485       266.2292 86.34656 16.87391 127.1274 34.73047 -40.78083      38.61261 
1 1 1 2   7  38 o 188.2991 8.345048 1047.509       91.92793 1088.031       97.62407 730.3517       273.1176 191.8524 8.699021 149.3782 32.12994 42.47427       33.28672 
1 1 1 2   7  39 o 158.8239 9.779701 748.6757       90.65269 743.8431       95.83353 789.7799       279.4956 158.1873 10.38735 155.0621 31.80203 3.125153       33.45543 
1 1 1 2   7  40 o 235.4147 8.030310 1637.831       110.7083 1654.656       119.0160 1529.778       301.6075 236.4891 8.595413 221.0742 23.62829 15.41489       25.14313 
1 1 1 2   7  41 o 75.18536 18.33022 179.4242       80.08392 157.8775       84.38431 374.8054       254.1045 70.54980 19.66271 105.1285 35.11007 -34.57874      40.24100 
1 1 1 2   7  42 o 42.16531 17.94731 6.754453       77.78812 -7.697239      81.65413 148.6208       255.8341 41.28593 17.98376 81.57369 33.46054 -40.28776      37.98715 
1 1 1 2   7  43 o 77.28650 17.64420 191.5844       78.21030 158.4784       82.20936 507.2442       253.8504 70.03267 19.36593 117.1797 34.57243 -47.14700      39.62691 
1 1 1 2   7  44 o 134.4641 11.21523 546.8972       87.63867 572.6097       93.02036 343.7747       261.4476 137.4457 11.64937 97.61063 35.41384 39.83510       37.28066 
1 1 1 2   7  45 o 165.2010 9.959994 821.0280       96.05067 822.1146       102.1427 812.7259       282.3468 165.0318 10.60953 146.9473 33.50777 18.08441       35.14730 
1 1 1 2   7  46 o 136.1571 11.43764 564.8190       90.48939 595.0724       95.56380 302.4294       281.4361 139.6218 11.78031 91.08866 35.86874 48.53316       37.75370 
1 1 1 2   7  47 o 102.5576 16.81599 338.7374       97.64189 367.5635       139.6846 311.1938       136.5420 102.7538 23.66745 93.84648 24.53644 8.907288       34.09083 
1 1 1 2   7  48 o 48.44717 20.62234 24.97642       102.7152 -34.06691      148.0641 79.75147       142.6119 50.68447 22.99404 60.25787 24.87703 -9.573406      33.87613 
1 1 1 2   7  49 o 56.33173 22.11224 83.43175       106.6647 29.45523       142.5476 152.1053       160.7875 54.89818 23.83882 69.49702 27.18754 -14.59884      36.15870 
1 1 1 2   7  50 o 142.4230 13.85891 638.1001       114.2981 555.1651       159.9729 724.5887       163.3643 126.2431 22.42839 147.3508 19.37284 -21.10770      29.63680 
1 1 1 2   7  51 o 65.30063 22.80907 145.1773       107.4845 165.9324       145.0636 119.9119       160.0513 69.55481 26.17000 65.02213 26.54445 4.532677       37.27569 
1 1 1 2   8  0  o 622.4758 10.92229 11380.75       398.7371 10913.26       532.1000 11979.48       602.1789 609.1324 14.89468 637.8309 16.11080 -28.69849      21.94104 
1 1 1 2   8  1  o 617.1033 7.703184 11176.11       278.7909 10778.50       375.0161 11667.33       416.8305 605.8096 10.55512 630.2252 11.27751 -24.41559      15.44645 
1 1 1 2   8  2  o 232.8654 4.942092 1590.672       67.49419 1679.397       82.13220 1406.132       118.4499 239.2551 5.853313 218.6515 9.257971 20.60361       10.95314 
1 1 1 2   8  3  o 372.4627 6.064252 4070.265       132.4679 4192.177       165.6552 3854.042       220.6132 377.9461 7.473512 362.0947 10.39942 15.85141       12.80630 
1 1 1 2   8  4  o 311.4743 5.461881 2846.233       99.77345 2875.408       120.8643 2783.823       176.7771 313.0331 6.583507 307.7231 9.807772 5.309937       11.81249 
1 1 1 2   8  5  o 134.0334 4.809907 527.6899       37.74814 554.8327       41.73643 405.6852       88.48631 137.4234 5.187814 116.7141 13.15609 20.70936       14.14199 
1 1 1 2   8  6  o 177.1838 6.820271 922.7891       70.73989 991.8112       97.97543 847.6221       102.2437 183.5348 9.130909 169.5278 10.33267 14.00702       13.78903 
1 1 1 2   8  7  o 170.8878 4.317065 857.2216       43.23170 881.8063       48.31626 758.5096       96.81551 173.3036 4.758240 160.3155 10.35254 12.98813       11.39368 
1 1 1 2   8  8  o 320.2875 5.089803 3009.927       95.60741 3024.376       111.3397 2969.362       186.5588 321.0223 5.913768 317.6961 10.02530 3.326263       11.63956 
1 1 1 2   8  9  o 455.2054 6.368179 6081.688       170.0095 6112.926       200.4370 6001.585       320.9632 456.2947 7.490002 451.5055 12.13208 4.789246       14.25789 
1 1 1 2   8  10 o 370.3631 6.526044 4025.774       141.7517 3914.895       172.8760 4253.290       247.6366 365.1439 8.072722 380.2128 11.11742 -15.06885      13.73921 
1 1 1 2   8  11 o 164.7006 5.665649 796.8283       54.64472 796.8283       54.64472 0.000000       0.000000 164.7006 5.665649 ?        ?        0.000000       5.665649 
1 1 1 2   8  12 o 487.7977 9.990362 6987.399       285.8061 6987.399       285.8061 0.000000       0.000000 487.7977 9.990362 ?        ?        0.000000       9.990362 
1 1 1 2   8  13 o 416.2159 6.040614 5082.115       147.4518 5113.785       172.7664 4997.172       282.9443 417.4780 7.056271 412.3129 11.71288 5.165100       13.67416 
1 1 1 2   8  14 o 939.9636 11.96505 25946.72       659.5930 25937.07       776.0590 25971.82       1251.834 939.5222 14.08436 938.6153 22.74095 0.9069214      26.74920 
1 1 1 2   8  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   8  16 o 219.6850 6.924900 1417.286       89.10901 1417.286       89.10901 0.000000       0.000000 219.6850 6.924900 ?        ?        0.000000       6.924900 
1 1 1 2   8  17 o 428.6064 6.531498 5389.262       164.1807 5302.201       187.1534 5680.022       342.0212 425.1003 7.506818 439.5133 13.28401 -14.41306      15.25835 
1 1 1 2   8  18 o 656.2808 8.889280 12640.80       342.1424 12459.48       392.9624 13208.96       695.6097 651.4620 10.28517 669.7775 17.72419 -18.31549      20.49224 
1 1 1 2   8  19 o 772.5726 10.25075 17524.02       464.4571 17461.74       542.4288 17695.13       899.1445 771.0234 11.99568 774.7848 19.80405 -3.761353      23.15376 
1 1 1 2   8  20 o 398.8223 6.547952 4666.786       153.1565 4581.673       171.4129 5003.720       341.0502 395.1388 7.396789 412.3155 14.12472 -17.17667      15.94429 
1 1 1 2   8  21 o 401.3522 6.392048 4726.331       150.4583 4749.249       172.3450 4652.899       308.5007 402.2885 7.304839 397.6232 13.24771 4.665283       15.12820 
1 1 1 2   8  22 o 405.9227 6.466276 4835.166       153.9388 4855.878       177.2383 4771.556       310.6006 406.7456 7.429922 402.5868 13.17278 4.158875       15.12369 
1 1 1 2   8  23 o 64.59159 15.18193 127.8261       56.53374 88.51527       59.78904 459.6225       173.7007 54.85471 16.91123 122.2722 25.06529 -67.41751      30.23670 
1 1 1 2   8  24 f 590.6176 8.089163 10244.31       280.1950 10157.29       323.6301 10504.77       559.9298 587.9520 9.385481 596.5671 16.01832 -8.615173      18.56539 
1 1 1 2   8  25 o 424.1271 6.505558 5280.882       161.8196 5195.994       183.4660 5578.285       343.4036 420.6311 7.437101 434.8874 13.48039 -14.25629      15.39582 
1 1 1 2   8  26 o 517.3608 7.348373 7862.186       222.9643 7814.779       257.5750 8003.884       445.3168 515.6489 8.517245 520.5045 14.60237 -4.855591      16.90481 
1 1 1 2   8  27 o 437.7390 6.722757 5627.995       172.5890 5582.143       197.3710 5776.962       355.7548 435.8398 7.721579 442.1524 13.73584 -6.312653      15.75742 
1 1 1 2   8  28 f 262.2842 6.060829 2020.230       93.22977 2009.134       103.0000 2070.534       219.3091 261.4329 6.723371 264.2909 14.20109 -2.858032      15.71225 
1 1 1 2   8  29 o 203.3103 6.379313 1215.494       75.97070 1205.831       82.61350 1268.431       193.3711 202.4452 6.968528 206.1810 16.11966 -3.735855      17.56143 
1 1 1 2   8  30 o 188.8857 6.991341 1050.070       77.31435 1080.976       85.33158 908.3926       182.6989 191.5847 7.609623 173.7375 18.20027 17.84726       19.72705 
1 1 1 2   8  31 o 57.98063 16.95989 101.8172       61.31301 129.2954       64.93011 -124.3996      186.3006 64.76495 16.91370 55.15736 25.31513 9.607594       30.44551 
1 1 1 2   8  32 o 299.0163 6.491405 2627.257       113.8372 2670.371       127.1979 2453.764       255.1581 301.3890 7.196177 287.2689 15.19912 14.12015       16.81660 
1 1 1 2   8  33 o 176.4804 8.705205 918.8518       89.82220 906.4550       96.24796 1002.504       250.0199 175.1946 9.401866 180.9008 24.17012 -5.706268      25.93434 
1 1 1 2   8  34 o 143.3056 15.45033 616.3207       127.8031 799.8248       150.6162 144.4261       241.5301 163.3560 15.92309 84.71432 33.26799 78.64169       36.88230 
1 1 1 2   8  35 f 83.18340 15.90222 212.4581       74.75232 218.3737       78.63061 156.8896       240.9948 84.24426 16.50538 85.54580 33.33713 -1.301537      37.19935 
1 1 1 2   8  36 o 82.58787 16.56234 210.4980       77.42682 187.8818       80.94182 454.0589       265.6239 77.71620 18.09754 118.4533 35.46891 -40.73707      39.81915 
1 1 1 2   8  37 o 265.3780 7.204344 2074.585       112.0232 2016.833       119.7933 2476.946       316.1950 261.5493 7.818371 286.2840 18.93893 -24.73474      20.48927 
1 1 1 2   8  38 o 207.6843 8.045277 1273.351       97.80769 1247.993       103.8944 1470.942       290.0137 205.4971 8.639846 218.2737 23.00047 -12.77664      24.56967 
1 1 1 2   8  39 o 134.1885 11.62435 538.3743       90.58032 540.0067       95.24336 522.9171       293.0782 134.2563 12.23034 124.2005 37.27232 10.05576       39.22763 
1 1 1 2   8  40 o 115.2896 13.72347 402.8649       90.97160 416.6372       95.61275 271.2464       295.5776 117.1358 14.20810 97.65658 37.21552 19.47922       39.83548 
1 1 1 2   8  41 o 187.3683 8.727069 1042.222       95.63573 1016.445       101.6793 1239.927       281.5950 184.8476 9.410216 196.3365 25.02317 -11.48889      26.73408 
1 1 1 2   8  42 o 110.7190 12.77150 373.4438       81.41254 351.9460       85.72582 571.0920       259.9326 107.0480 13.98909 125.6183 34.31694 -18.57033      37.05870 
1 1 1 2   8  43 o 154.0674 9.694229 710.7656       87.15001 722.8588       92.50791 615.3467       259.8519 155.1999 10.22023 129.4041 33.85625 25.79584       35.36522 
1 1 1 2   8  44 o 36.00467 16.52872 -48.53639      79.48511 -37.79836      83.29047 -158.0606      266.0040 38.07671 17.26304 61.81784 29.00329 -23.74113      33.75209 
1 1 1 2   8  45 o 118.7472 13.41049 435.5502       91.76183 410.9260       97.07958 642.0215       281.1104 114.6942 14.77518 126.9874 36.06451 -12.29315      38.97377 
1 1 1 2   8  46 o 50.99270 20.24091 56.80807       90.27888 106.4763       94.60489 -449.3247      301.9997 59.50607 21.34028 54.45303 26.80684 5.053040       34.26390 
1 1 1 2   8  47 o 93.83720 17.94281 288.4290       95.14762 244.9637       100.1005 695.3337       306.2750 85.13731 20.32907 126.5093 38.13307 -41.37194      43.21345 
1 1 1 2   8  48 o 33.91142 16.28566 -116.7540      94.09041 50.96682       137.5048 -264.4316      129.0273 56.51277 23.95024 34.32029 17.00984 22.19249       29.37599 
1 1 1 2   8  49 o 109.2671 17.29323 390.0096       107.1349 270.1208       151.6524 509.4543       151.3713 85.01698 27.04043 121.5887 22.03885 -36.57172      34.88403 
1 1 1 2   8  50 o 39.77987 18.53768 -68.37957      105.6686 -220.7149      138.3503 144.9080       163.7052 37.70052 18.47545 68.23975 27.20094 -30.53924      32.88211 
1 1 1 2   8  51 o 99.10860 18.80183 331.4359       105.2882 243.3560       161.3846 396.7072       138.9264 79.75089 27.94238 105.2850 23.13238 -25.53412      36.27511 
1 1 1 2   9  0  o 500.9731 9.066326 7369.457       266.3767 7271.027       369.7109 7475.715       384.1299 497.1340 12.69093 504.0461 13.00529 -6.912109      18.17133 
1 1 1 2   9  1  o 335.0827 6.712220 3294.957       131.9073 3176.385       178.5103 3437.570       195.7726 328.7569 9.267689 341.9754 9.771289 -13.21851      13.46730 
1 1 1 2   9  2  o 1019.734 14.16016 30597.40       846.8483 30524.31       1455.614 30634.80       1041.191 1015.077 24.45100 1019.463 17.41440 -4.386108      30.01854 
1 1 1 2   9  3  o 178.8281 4.839317 938.8433       50.70736 938.5643       57.55138 939.8114       107.2111 178.7717 5.495695 178.5592 10.28128 0.2124176      11.65793 
1 1 1 2   9  4  o 253.8157 5.117115 1890.075       76.17179 1966.571       91.68375 1719.613       136.8628 258.8752 6.038811 241.7489 9.672704 17.12625       11.40300 
1 1 1 2   9  5  o 685.3358 9.821513 13801.09       394.7593 13694.78       478.6962 14027.05       697.9034 682.3552 11.96187 689.2415 17.27889 -6.886230      21.01538 
1 1 1 2   9  6  o 568.0945 8.431225 9478.553       280.9065 9590.879       350.0057 9275.241       470.8860 571.2112 10.44787 560.9607 14.32479 10.25055       17.73013 
1 1 1 2   9  7  o 194.6963 6.740373 1114.048       76.84873 1072.755       102.5696 1166.892       116.0323 190.8635 9.190167 199.0091 9.973369 -8.145645      13.56198 
1 1 1 2   9  8  o 152.2160 4.397617 680.2794       39.21686 686.4462       42.91463 649.0502       96.57248 152.8871 4.792043 148.1520 11.19754 4.735062       12.17984 
1 1 1 2   9  9  o 342.5237 5.296701 3442.280       106.4012 3463.228       124.4706 3385.432       205.0482 343.5295 6.178064 339.2613 10.31754 4.268250       12.02581 
1 1 1 2   9  10 o 75.33896 5.505193 167.4164       24.15653 157.1863       25.13121 291.6813       87.58853 72.95239 5.924813 98.31429 15.72009 -25.36190      16.79954 
1 1 1 2   9  11 o 725.3351 9.466611 15447.72       402.7019 15324.42       469.3481 15791.75       784.0078 722.2605 11.08028 732.0703 18.26069 -9.809753      21.35943 
1 1 1 2   9  12 o 461.9762 6.472497 6261.534       175.3646 6138.219       200.1039 6669.794       364.0968 457.3663 7.460036 476.2506 13.04789 -18.88431      15.02995 
1 1 1 2   9  13 f 734.1161 11.65044 15825.97       501.6001 15222.46       615.4800 17019.58       865.5771 719.6919 14.58199 760.0856 19.43341 -40.39368      24.29593 
1 1 1 2   9  14 o 1062.243 16.11584 33172.09       1003.986 33172.09       1003.986 0.000000       0.000000 1062.243 16.11584 ?        ?        0.000000       16.11584 
1 1 1 2   9  15 o 1059.467 13.54504 32974.25       841.6248 32435.01       969.8406 34618.82       1693.687 1050.438 15.74270 1082.777 26.67126 -32.33862      30.97078 
1 1 1 2   9  16 o 272.6631 6.096302 2180.906       97.48624 2180.906       97.48624 0.000000       0.000000 272.6631 6.096302 ?        ?        0.000000       6.096302 
1 1 1 2   9  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   9  18 o 642.5318 8.712885 12116.67       328.3274 11986.62       377.5100 12520.50       665.2389 638.9819 10.07371 652.0837 17.41055 -13.10175      20.11484 
1 1 1 2   9  19 o 312.2583 6.291072 2860.615       115.2097 2902.924       127.7826 2676.797       266.3464 314.5428 6.926942 301.3344 15.11950 13.20847       16.63074 
1 1 1 2   9  20 f 468.4735 6.991259 6439.846       192.0839 6480.181       221.6577 6318.221       384.9067 469.8885 8.043359 463.3407 14.18130 6.547852       16.30353 
1 1 1 2   9  21 o 412.3657 6.426764 4989.540       155.4266 4981.662       176.7800 5016.372       326.2281 412.0014 7.316171 412.8094 13.49289 -0.8080139     15.34876 
1 1 1 2   9  22 o 499.6854 7.209123 7328.634       211.2660 7526.414       251.4110 6853.376       389.7258 506.2926 8.467052 482.4132 13.78908 23.87943       16.18115 
1 1 1 2   9  23 o 391.0288 6.350104 4487.522       145.6264 4355.771       161.7928 5049.723       334.2160 385.2014 7.161776 413.9223 13.78683 -28.72089      15.53601 
1 1 1 2   9  24 o 717.9655 9.449471 15148.72       397.8887 15232.31       469.4718 14935.57       749.6631 719.6411 11.12354 710.6396 18.00180 9.001526       21.16124 
1 1 1 2   9  25 o 30.88096 13.68248 -17.01854      49.13965 -49.22367      51.49592 310.9357       164.3300 27.68629 12.91498 100.2596 27.24317 -72.57329      30.14941 
1 1 1 2   9  26 o 236.2397 6.033108 1639.581       83.51971 1643.305       91.22517 1620.292       207.6358 236.4661 6.584431 233.6810 15.23359 2.785126       16.59569 
1 1 1 2   9  27 o 388.9600 6.314855 4443.001       144.0518 4410.550       162.5909 4561.451       310.6381 387.4552 7.155241 392.8419 13.50307 -5.386688      15.28170 
1 1 1 2   9  28 o 43.85880 18.03175 18.64844       74.51638 -7.715017      82.33237 138.0585       175.2225 42.27132 18.23628 76.81077 28.79114 -34.53945      34.08067 
1 1 1 2   9  29 o 331.1844 6.060152 3221.759       117.7074 3193.184       132.1290 3331.643       259.1006 329.6369 6.834578 335.4760 13.19485 -5.839020      14.85986 
1 1 1 2   9  30 o 288.7477 6.158678 2449.395       104.2933 2437.441       115.8839 2500.346       239.2434 287.9781 6.861407 290.2717 14.09565 -2.293518      15.67694 
1 1 1 2   9  31 o 208.8541 6.871620 1283.457       84.05453 1258.631       91.05363 1426.572       218.6171 206.7523 7.521782 218.3311 17.21245 -11.57872      18.78419 
1 1 1 2   9  32 o 495.9246 7.406011 7231.145       215.4024 7307.411       250.8951 7017.333       420.0891 498.3055 8.585113 486.4113 14.74310 11.89423       17.06057 
1 1 1 2   9  33 o 197.0717 8.295459 1144.702       95.66277 1100.028       102.2887 1456.396       270.1886 193.0851 9.058173 219.4838 21.25583 -26.39862      23.10542 
1 1 1 2   9  34 o 132.5895 10.98505 522.2628       84.65446 520.4053       90.08160 536.2999       247.6337 132.2310 11.73771 129.2330 32.66275 2.998062       34.70777 
1 1 1 2   9  35 o 133.9000 10.81911 532.7558       84.23866 517.8201       88.65002 671.7219       270.4087 131.8701 11.58004 144.2846 32.71268 -12.41446      34.70183 
1 1 1 2   9  36 o 288.2333 7.088824 2444.506       119.8309 2421.566       129.5109 2580.987       315.8927 286.6861 7.709810 292.7469 18.49362 -6.060791      20.03635 
1 1 1 2   9  37 o 419.5322 7.205126 5181.631       177.2790 5044.861       194.4945 5853.229       430.9889 413.7647 8.014997 441.8279 16.66254 -28.06317      18.49001 
1 1 1 2   9  38 o 205.5282 8.307208 1247.816       99.92660 1245.284       106.0502 1267.854       298.3879 205.2216 8.831926 201.0147 25.91281 4.206924       27.37657 
1 1 1 2   9  39 o 250.1897 7.761654 1847.802       113.7493 1806.441       121.4435 2143.539       324.7347 247.2330 8.387774 264.0636 21.14518 -16.83061      22.74804 
1 1 1 2   9  40 o 218.0927 8.309518 1407.666       106.0895 1457.171       113.2783 1054.352       302.6249 221.7962 8.725493 179.0872 29.86414 42.70909       31.11272 
1 1 1 2   9  41 o 40.45391 17.70856 -12.02265      80.02483 7.643827       83.59888 -227.3842      276.6440 43.79770 18.62253 61.83337 29.18560 -18.03567      34.62077 
1 1 1 2   9  42 o 105.8657 13.61911 343.8705       82.60133 381.9412       86.41694 -58.90899      281.0846 111.7064 13.46183 69.72859 31.65274 41.97783       34.39647 
1 1 1 2   9  43 o 179.9112 8.938323 965.7562       94.01621 936.2994       99.05985 1233.129       298.4451 176.9124 9.583259 190.7967 27.46113 -13.88431      29.08526 
1 1 1 2   9  44 o 201.7949 8.755057 1215.530       103.3677 1277.516       109.6007 716.5808       310.9525 206.7566 9.060644 134.3275 37.85606 72.42917       38.92527 
1 1 1 2   9  45 o 94.53377 16.86633 286.5549       90.07946 287.2029       94.23933 279.6968       306.5727 94.25875 17.69722 90.41385 36.80246 3.844902       40.83641 
1 1 1 2   9  46 o 49.56956 20.29796 42.94509       93.94115 53.10126       98.04322 -70.86280      328.2001 51.63992 20.88811 70.27903 32.72356 -18.63911      38.82196 
1 1 1 2   9  47 o 150.7349 12.51506 700.0080       109.6393 682.0489       116.8203 832.7588       317.6100 148.1413 13.59750 139.3785 37.87512 8.762787       40.24198 
1 1 1 2   9  48 o 104.1419 17.81824 355.9152       104.9186 325.9168       112.1054 567.6334       297.8221 98.15134 20.15055 111.5762 38.01092 -13.42486      43.02179 
1 1 1 2   9  49 o 56.96522 21.75030 92.84554       101.0850 -55.27648      156.7464 198.3090       132.2632 50.13832 23.08782 74.50768 25.33171 -24.36937      34.27452 
1 1 1 2   9  50 o 84.12471 22.40696 251.7711       112.5219 234.1626       158.8928 269.4850       159.3682 78.99770 27.72224 83.88445 27.79942 -4.886749      39.25978 
1 1 1 2   10 0  o 315.9656 6.555334 2930.146       121.4745 3018.153       174.8251 2847.994       168.9094 320.3948 9.313842 311.2288 9.264185 9.166046       13.13670 
1 1 1 2   10 1  o 876.1374 14.98900 22615.94       770.1858 22979.12       1112.863 22282.08       1066.998 880.9379 21.54002 867.6943 20.96749 13.24365       30.06007 
1 1 1 2   10 2  o 320.7380 5.567495 3018.617       104.7275 3236.592       184.9352 2915.716       127.0650 331.7708 9.514362 315.1693 6.874349 16.60153       11.73796 
1 1 1 2   10 3  o 388.3702 5.405132 4425.757       123.1126 4516.631       176.3745 4339.410       171.9259 392.2113 7.667699 384.4424 7.625346 7.768982       10.81386 
1 1 1 2   10 4  o 344.3345 5.075196 3478.812       102.4906 3552.652       144.4871 3404.031       145.4044 347.8752 7.081986 340.5101 7.281098 7.365051       10.15721 
1 1 1 2   10 5  o 403.8954 6.451941 4788.204       152.8304 4891.771       188.5098 4589.577       261.0605 408.1447 7.875339 394.8823 11.28414 13.26248       13.76056 
1 1 1 2   10 6  o 355.8087 5.935224 3715.304       123.8523 3697.762       148.4483 3755.482       224.6589 354.9059 7.132000 357.2495 10.73481 -2.343536      12.88804 
1 1 1 2   10 7  o 198.5626 5.002748 1157.507       58.21175 1104.859       65.92740 1343.770       124.0041 193.9512 5.802451 213.6136 9.925346 -19.66234      11.49700 
1 1 1 2   10 8  o 273.8158 6.975119 2202.051       111.9198 2318.488       158.7267 2086.919       157.8341 280.7667 9.653845 266.3180 10.12375 14.44867       13.98882 
1 1 1 2   10 9  o 208.0001 4.582778 1269.117       55.90400 1337.366       63.48387 1033.418       117.9764 213.5111 5.069818 187.2344 10.78952 26.27672       11.92128 
1 1 1 2   10 10 o 465.4583 6.522500 6356.934       178.0514 6435.627       211.3964 6164.825       330.2956 468.2742 7.697450 457.8482 12.31190 10.42599       14.52011 
1 1 1 2   10 11 o 297.4860 5.063374 2595.908       88.33994 2486.824       97.07708 3121.385       213.0661 291.1567 5.685118 325.8217 11.16673 -34.66504      12.53062 
1 1 1 2   10 12 o 202.3682 6.047686 1202.434       71.69594 1202.434       71.69594 0.000000       0.000000 202.3682 6.047686 ?        ?        0.000000       6.047686 
1 1 1 2   10 13 o 976.3707 12.32484 27996.18       705.7427 27825.09       822.4114 28474.16       1374.595 973.1161 14.41033 982.6589 23.85183 -9.542786      27.86695 
1 1 1 2   10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   10 15 o 1048.838 13.42633 32316.39       825.8787 31431.89       935.4116 35443.57       1758.860 1034.086 15.42395 1095.291 27.38113 -61.20435      31.42650 
1 1 1 2   10 16 o 720.3575 11.28311 15236.95       476.6807 15236.95       476.6807 0.000000       0.000000 720.3575 11.28311 ?        ?        0.000000       11.28311 
1 1 1 2   10 17 o 262.9623 6.078194 2028.548       93.73863 2004.047       101.2955 2174.620       247.3327 261.2760 6.615913 271.5115 15.59819 -10.23557      16.94326 
1 1 1 2   10 18 o 398.4339 7.256464 4658.060       169.5633 4470.520       191.9604 5323.989       361.7253 390.2896 8.386373 425.3173 14.52288 -35.02768      16.77037 
1 1 1 2   10 19 o 477.8003 7.113534 6698.817       199.3344 6707.674       229.0647 6671.188       404.5917 478.0660 8.169956 476.1022 14.50686 1.963806       16.64924 
1 1 1 2   10 20 o 464.3079 6.916151 6326.022       188.3307 6265.000       214.3792 6532.351       394.1995 462.0142 7.911829 471.0771 14.28485 -9.062897      16.32954 
1 1 1 2   10 21 o 417.9326 6.544825 5125.607       160.4186 5100.548       182.0589 5212.620       339.2493 416.8656 7.446728 420.7246 13.76752 -3.859009      15.65243 
1 1 1 2   10 22 o 76.61934 14.12085 178.2596       61.11541 178.2596       61.11541 0.000000       0.000000 76.61934 14.12085 ?        ?        0.000000       14.12085 
1 1 1 2   10 23 o 138.8863 7.748317 568.1621       62.86258 566.6462       67.29436 578.5475       176.1360 138.6536 8.313736 137.9459 22.54990 0.7077179      24.03365 
1 1 1 2   10 24 f 261.6521 5.769645 2009.327       88.53680 1970.925       97.66640 2186.403       209.7247 259.1123 6.426975 272.1197 13.18052 -13.00742      14.66398 
1 1 1 2   10 25 f 166.5960 6.612651 816.2310       64.48030 820.5505       68.85367 785.4323       183.8551 167.0042 7.045730 161.5247 19.82340 5.479462       21.03828 
1 1 1 2   10 26 o 271.0027 5.956588 2156.298       94.67206 2094.281       102.9414 2496.450       241.0844 267.0410 6.572966 290.4116 14.19786 -23.37057      15.64555 
1 1 1 2   10 27 o 312.1285 7.176548 2862.608       131.3710 2769.934       152.2870 3132.187       259.7322 306.7972 8.471820 325.3615 13.64187 -18.56424      16.05840 
1 1 1 2   10 28 o 406.5894 6.563450 4856.766       156.5088 4843.459       177.7413 4902.692       330.2105 405.9203 7.466156 406.9621 13.85544 -1.041779      15.73902 
1 1 1 2   10 29 o 255.8636 6.057725 1923.035       90.90099 1939.198       99.13950 1837.735       227.7550 256.8123 6.587781 248.4220 15.71297 8.390228       17.03808 
1 1 1 2   10 30 o 322.0634 6.237748 3047.411       117.8202 3020.914       130.7038 3162.286       272.1475 320.5862 6.951730 326.4678 14.24822 -5.881592      15.85365 
1 1 1 2   10 31 o 188.5815 7.525801 1047.390       83.06717 1076.879       90.33300 885.8871       211.4017 191.1598 8.075674 170.6062 21.61246 20.55359       23.07195 
1 1 1 2   10 32 o 311.5294 6.800748 2852.276       124.2528 2876.389       138.0334 2749.281       285.2785 312.7650 7.525158 303.8924 16.06364 8.872589       17.73890 
1 1 1 2   10 33 o 278.4392 7.263610 2280.954       118.5120 2316.384       129.7878 2103.219       290.6928 280.5109 7.897071 264.8440 18.83814 15.66687       20.42643 
1 1 1 2   10 34 o 168.0272 8.969648 833.8740       88.07021 894.4638       93.80598 383.3790       255.7855 174.0062 9.225073 110.7663 35.10439 63.23991       36.29628 
1 1 1 2   10 35 o 280.6078 8.474349 2321.213       139.3024 2333.597       155.7785 2271.785       311.2206 281.1741 9.460208 274.5359 19.45545 6.638123       21.63354 
1 1 1 2   10 36 o 125.7281 11.61248 471.8395       84.65938 461.2422       88.88456 575.4231       277.8907 124.1482 12.37228 131.9907 35.23854 -7.842484      37.34740 
1 1 1 2   10 37 f 224.5962 7.743167 1487.907       101.8407 1515.183       108.8654 1296.777       288.1771 226.5665 8.206570 204.2585 24.54764 22.30800       25.88309 
1 1 1 2   10 38 o 49.01660 19.31562 43.60941       81.66628 61.75191       85.15241 -164.4533      288.3670 52.64082 19.99529 68.10252 31.34380 -15.46170      37.17856 
1 1 1 2   10 39 o 329.7269 7.388242 3205.463       142.8716 3171.974       155.8085 3382.375       358.1128 327.8195 8.104121 333.5925 18.37527 -5.773041      20.08301 
1 1 1 2   10 40 o 89.32283 16.80372 249.0994       84.79758 226.4685       88.67921 490.7633       289.7858 84.65202 18.38935 118.3350 37.34724 -33.68294      41.62913 
1 1 1 2   10 41 o 231.8507 7.921144 1592.917       107.5495 1722.093       116.3405 833.7576       282.0363 240.9749 8.244199 155.1488 32.05693 85.82616       33.10006 
1 1 1 2   10 42 o 88.17728 17.24193 246.8978       85.96841 265.8146       90.29826 63.71637       280.9938 91.49059 17.46566 76.82540 33.41403 14.66519       37.70341 
1 1 1 2   10 43 o 38.24332 17.29085 -35.69820      82.87323 -12.34169      86.99310 -264.9140      272.5230 41.79344 18.37399 58.36602 27.94662 -16.57258      33.44573 
1 1 1 2   10 44 o 121.1217 13.31954 451.4562       93.05573 424.4304       97.80620 709.5690       302.2604 116.8603 14.58764 133.7970 37.18527 -16.93674      39.94425 
1 1 1 2   10 45 o 41.04684 18.41740 -27.00520      92.00203 -53.38921      96.47099 238.1379       305.8204 39.62076 18.19635 87.01611 36.22110 -47.39535      40.53486 
1 1 1 2   10 46 o 145.2859 12.39936 648.1953       104.6421 636.9555       110.3102 749.2120       330.7002 143.5585 13.25143 130.6642 39.67556 12.89426       41.83002 
1 1 1 2   10 47 o 47.82339 20.65717 13.67822       105.9009 -24.10002      111.3153 373.9238       343.7425 45.07835 20.23982 94.51558 38.77918 -49.43723      43.74329 
1 1 1 2   10 48 f 59.04003 22.22333 102.9175       104.6336 67.09362       109.9749 445.0749       339.8755 54.60207 22.10950 98.27648 39.18691 -43.67442      44.99382 
1 1 1 2   10 49 o 51.59124 21.57373 45.89072       109.2238 91.85488       114.1248 -455.0518      376.7596 58.06103 22.84781 59.59559 29.45167 -1.534565      37.27497 
1 1 1 2   10 50 o 123.7633 17.39064 502.1990       122.7513 643.7929       191.3986 403.2672       159.9870 133.0114 25.46284 103.7887 26.26566 29.22275       36.58198 
1 1 1 2   11 0  o 325.3445 6.706599 3107.118       127.9665 3114.663       179.3436 3099.293       182.6456 325.4413 9.406293 324.6169 9.604294 0.8244324      13.44324 
1 1 1 2   11 1  o 372.2905 7.280511 4069.237       158.9624 3993.411       218.2233 4154.958       232.0244 368.4602 10.10812 375.7946 10.53808 -7.334381      14.60224 
1 1 1 2   11 2  o 662.3072 11.57392 12902.16       449.5630 13088.99       646.6486 12727.39       625.4379 666.0267 16.55489 656.8401 16.23581 9.186584       23.18762 
1 1 1 2   11 3  o 585.2723 7.392885 10057.02       253.7596 10474.60       376.1714 9708.316       343.7558 596.8920 10.74582 574.7181 10.19870 22.17395       14.81506 
1 1 1 2   11 4  o 238.4950 4.481963 1668.673       62.68996 1674.667       84.05478 1661.160       94.10863 238.8055 6.006374 237.7949 6.754866 1.010620       9.039068 
1 1 1 2   11 5  o 356.5725 6.015942 3731.232       125.8062 3802.164       153.0546 3583.485       220.8942 359.8828 7.251614 348.9754 10.80594 10.90744       13.01362 
1 1 1 2   11 6  o 623.5096 9.045709 11418.53       330.7777 11323.93       399.7461 11623.97       589.0856 620.6835 10.98155 627.8101 16.01232 -7.126648      19.41620 
1 1 1 2   11 7  o 210.5223 5.139387 1300.243       63.45412 1358.394       73.43508 1128.870       126.0645 215.0850 5.826975 195.6817 11.02944 19.40334       12.47406 
1 1 1 2   11 8  o 305.5915 7.172960 2740.665       128.5554 2698.019       175.4175 2790.141       188.9447 302.9334 9.886834 308.0187 10.47465 -5.085358      14.40374 
1 1 1 2   11 9  o 539.8168 9.891740 8556.479       313.1624 8442.943       432.7188 8681.340       453.7892 535.7100 13.78435 543.1642 14.25766 -7.454163      19.83152 
1 1 1 2   11 10 o 732.5508 9.767269 15753.93       419.6251 15157.63       470.0498 18094.49       931.2529 718.4289 11.15603 783.3544 20.28731 -64.92548      23.15236 
1 1 1 2   11 11 o 609.8073 12.26084 10921.82       438.4936 10921.82       438.4936 0.000000       0.000000 609.8073 12.26084 ?        ?        0.000000       12.26084 
1 1 1 2   11 12 o 265.0492 6.732542 2062.277       104.5693 2062.277       104.5693 0.000000       0.000000 265.0492 6.732542 ?        ?        0.000000       6.732542 
1 1 1 2   11 13 o 706.4711 10.86246 14652.38       450.0627 14652.38       450.0627 0.000000       0.000000 706.4711 10.86246 ?        ?        0.000000       10.86246 
1 1 1 2   11 14 o 506.1177 10.44343 7519.641       309.9882 7519.641       309.9882 0.000000       0.000000 506.1177 10.44343 ?        ?        0.000000       10.44343 
1 1 1 2   11 15 o 77.94409 11.46916 182.2042       50.86224 182.2042       50.86224 0.000000       0.000000 77.94409 11.46916 ?        ?        0.000000       11.46916 
1 1 1 2   11 16 o 583.9230 9.530144 10008.37       326.3665 10008.37       326.3665 0.000000       0.000000 583.9230 9.530144 ?        ?        0.000000       9.530144 
1 1 1 2   11 17 o 512.5291 7.597278 7708.146       228.3637 7482.165       256.7986 8562.403       499.2872 504.9088 8.672197 539.3511 15.80145 -34.44229      18.02478 
1 1 1 2   11 18 o 380.0244 6.356250 4237.060       141.6651 4198.623       159.3871 4381.644       309.1285 378.2700 7.184570 385.8564 13.68204 -7.586395      15.45368 
1 1 1 2   11 19 o 563.0913 7.912048 9305.751       261.2873 9137.323       297.7236 9870.294       545.0720 557.8949 9.099350 578.9230 16.06952 -21.02808      18.46693 
1 1 1 2   11 20 o 537.3456 7.589702 8474.668       239.1822 8582.153       280.6168 8189.167       457.3443 540.6541 8.850009 527.3398 14.80240 13.31421       17.24627 
1 1 1 2   11 21 o 333.3304 7.086388 3261.169       138.5321 3245.899       161.0799 3304.548       271.4939 332.4938 8.260517 334.8186 13.85605 -2.324860      16.13153 
1 1 1 2   11 22 o 481.5657 6.998458 6807.454       197.6553 6807.280       227.2054 6807.995       400.7967 481.4788 8.046205 480.5913 14.23563 0.8874512      16.35220 
1 1 1 2   11 23 o 398.8600 6.296141 4669.658       147.2806 4699.587       168.4848 4572.699       303.2585 400.0776 7.180687 393.8363 13.14788 6.241241       14.98096 
1 1 1 2   11 24 o 240.0170 5.940673 1690.998       83.62345 1663.871       91.28136 1832.621       208.5712 237.9687 6.546733 248.8532 14.35181 -10.88454      15.77448 
1 1 1 2   11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11 26 o 248.9414 5.969075 1819.648       87.14745 1796.648       95.53756 1933.611       212.6638 247.2397 6.594674 255.4407 14.25208 -8.200943      15.70387 
1 1 1 2   11 27 o 241.6547 5.985491 1714.937       84.82924 1641.619       90.55466 2240.358       242.4141 236.3090 6.540302 274.7221 15.10386 -38.41306      16.45911 
1 1 1 2   11 28 o 658.3682 8.910677 12756.39       344.0568 12445.91       388.9706 13872.71       737.5587 649.9418 10.20450 682.3012 18.44882 -32.35938      21.08295 
1 1 1 2   11 29 o 167.8293 7.222020 829.5532       70.91849 850.7656       75.29051 662.6544       211.1890 169.9291 7.573814 146.1002 25.57878 23.82893       26.67652 
1 1 1 2   11 30 o 320.6656 6.294590 3021.166       118.3778 3041.459       132.3567 2940.031       264.6507 321.6646 7.016042 314.7190 14.37633 6.945557       15.99699 
1 1 1 2   11 31 o 138.2780 9.540227 565.8265       76.89394 538.9382       82.12592 756.9131       218.9343 134.8089 10.46952 156.6344 24.64623 -21.82544      26.77774 
1 1 1 2   11 32 o 278.6982 8.156079 2286.952       133.1676 2241.276       148.3877 2475.974       301.8608 275.7474 9.188463 287.7952 17.97407 -12.04779      20.18650 
1 1 1 2   11 33 o 261.7332 7.241488 2015.740       111.0502 2008.967       120.3196 2054.687       288.5217 261.2123 7.862973 261.6648 18.92904 -0.4524841     20.49719 
1 1 1 2   11 34 o 146.4293 10.07252 635.3298       85.97315 623.9661       90.46591 741.2887       276.2446 145.0087 10.71317 152.0965 31.98483 -7.087830      33.73132 
1 1 1 2   11 35 o 267.4234 7.257878 2105.756       113.7255 2065.780       121.4608 2389.956       323.8540 264.7816 7.830244 281.3284 19.75397 -16.54681      21.24928 
1 1 1 2   11 36 o 256.0522 8.816545 1935.814       132.1993 2016.148       147.1381 1599.370       301.1140 261.1474 9.623486 228.2067 22.80346 32.94072       24.75094 
1 1 1 2   11 37 o 263.7145 7.326747 2049.763       113.2074 2047.868       122.1554 2061.295       301.3393 263.4808 7.914172 260.3064 19.88940 3.174408       21.40613 
1 1 1 2   11 38 o 62.01492 20.73909 111.7630       88.65580 100.4403       92.91661 226.7965       296.1622 60.41315 21.19945 94.95135 36.96946 -34.53820      42.61640 
1 1 1 2   11 39 o 229.8636 8.256262 1562.485       111.1215 1583.453       119.0998 1421.524       308.8028 231.2722 8.796901 211.9258 25.34756 19.34636       26.83066 
1 1 1 2   11 40 o 229.5732 8.157105 1560.825       109.6521 1576.497       118.3281 1465.559       291.7411 230.5490 8.767307 214.9213 23.52966 15.62766       25.10997 
1 1 1 2   11 41 o 208.0821 8.386171 1285.840       102.1312 1257.295       109.4867 1477.120       283.4243 205.5246 9.105980 214.8143 22.84700 -9.289734      24.59480 
1 1 1 2   11 42 o 254.3814 7.770993 1920.007       115.7985 1886.359       124.2754 2141.714       319.0043 251.8824 8.424581 259.2931 21.16144 -7.410690      22.77674 
1 1 1 2   11 43 o 107.6214 14.80391 360.1047       90.96548 377.9697       95.20866 172.9743       308.1394 110.1630 15.13607 85.07338 35.94405 25.08966       39.00097 
1 1 1 2   11 44 o 88.92374 19.07832 258.8195       96.51563 232.1016       101.4637 512.8823       312.8816 83.43778 20.80665 111.6240 38.92058 -28.18626      44.13307 
1 1 1 2   11 45 o 82.23346 20.24367 226.1567       96.96574 263.0028       101.6623 -145.2173      322.7526 88.91526 19.98334 67.06052 31.61353 21.85474       37.39985 
1 1 1 2   11 46 o 105.0583 16.90360 355.3321       100.6175 390.3880       105.1396 -26.09830      346.8110 110.2753 16.78577 73.17328 33.92293 37.10206       37.84874 
1 1 1 2   11 47 o 103.4812 18.78202 354.2278       109.7899 347.4608       115.2395 420.7433       361.2969 101.6982 20.03435 97.27908 39.81733 4.419121       44.57348 
1 1 1 2   11 48 o 65.08096 22.88194 139.9869       108.2866 144.4752       113.6152 95.47644       357.7868 66.02336 23.41792 77.28818 35.32566 -11.26482      42.38280 
1 1 1 2   11 49 o 126.1032 16.36567 514.4164       118.1827 543.9001       124.2257 233.2989       383.5873 129.4234 16.75934 83.57283 37.54372 45.85059       41.11455 
1 1 1 2   11 50 o 48.35706 22.80894 -108.2058      168.4300 -104.2154      182.3811 -131.3352      439.0949 50.61089 23.82976 71.69366 34.61895 -21.08277      42.02772 
1 1 1 2   12 0  o 398.9588 7.703132 4673.302       180.2378 4816.503       261.3290 4543.383       248.9135 404.6096 11.02315 392.9871 10.81017 11.62259       15.43922 
1 1 1 2   12 1  o 521.7208 9.447763 7996.722       289.0797 8385.443       431.1164 7679.164       389.6607 533.5097 13.79005 510.6622 13.02137 22.84747       18.96633 
1 1 1 2   12 2  o 744.3002 12.88762 16300.41       562.5632 16283.48       793.2786 16317.53       797.9106 742.6534 18.21332 743.4052 18.30114 -0.7517700     25.81969 
1 1 1 2   12 3  o 575.1380 8.386751 9713.395       282.8892 9715.254       346.5321 9709.680       489.7948 574.9920 10.27617 574.0399 14.56037 0.9521484      17.82144 
1 1 1 2   12 4  o 526.4962 6.798559 8135.635       209.9243 8240.936       299.6561 8034.151       294.1753 529.6575 9.646671 522.9754 9.591231 6.682129       13.60331 
1 1 1 2   12 5  o 790.3314 11.15533 18356.50       517.0616 18409.99       634.2083 18250.46       892.9368 791.0482 13.67031 786.3167 19.36300 4.731445       23.70239 
1 1 1 2   12 6  o 111.0099 10.85008 365.4764       69.73827 424.2366       88.81175 270.9769       112.6273 119.4354 12.88261 93.97390 20.96836 25.46146       24.60962 
1 1 1 2   12 7  o 276.8633 5.457183 2248.724       88.61036 2289.260       105.1762 2149.578       164.4878 279.3248 6.420329 270.3415 10.39395 8.983368       12.21699 
1 1 1 2   12 8  o 537.4929 8.042790 8478.546       253.5304 8435.896       306.4737 8571.011       451.2550 536.0364 9.748737 539.7551 14.26776 -3.718628      17.28024 
1 1 1 2   12 9  o 168.7105 8.055550 837.1647       79.47517 832.7306       103.7038 843.4752       123.7154 168.0788 10.57396 168.9841 12.57335 -0.9052582     16.42856 
1 1 1 2   12 10 o 179.3007 8.038347 945.2475       84.31284 997.1673       108.9125 867.5999       133.1911 184.0298 10.13018 171.3326 13.36071 12.69722       16.76690 
1 1 1 2   12 11 o 665.6469 8.929241 13003.16       348.5852 12856.27       405.1513 13421.79       683.9718 661.7813 10.43884 675.3314 17.28334 -13.55011      20.19117 
1 1 1 2   12 12 o 336.2654 7.782978 3317.737       153.4894 3317.737       153.4894 0.000000       0.000000 336.2654 7.782978 ?        ?        0.000000       7.782978 
1 1 1 2   12 13 o 281.9960 7.291942 2334.681       120.4959 2334.681       120.4959 0.000000       0.000000 281.9960 7.291942 ?        ?        0.000000       7.291942 
1 1 1 2   12 14 o 603.1898 12.09761 10685.40       427.9608 10685.40       427.9608 0.000000       0.000000 603.1898 12.09761 ?        ?        0.000000       12.09761 
1 1 1 2   12 15 o 458.5464 6.982341 6169.045       187.7737 6051.777       209.7518 6642.302       421.3697 454.1343 7.875368 475.1033 15.14188 -20.96899      17.06745 
1 1 1 2   12 16 o 632.6884 10.24506 11752.39       380.1498 11752.39       380.1498 0.000000       0.000000 632.6884 10.24506 ?        ?        0.000000       10.24506 
1 1 1 2   12 17 o ?        ?        -200.0954      50.65401 -194.3882      52.13458 -296.3170      214.0682 ?        ?        51.87288 24.81906 0.000000       24.81906 
1 1 1 2   12 18 o 1438.773 18.11335 60970.22       1528.417 60898.63       1797.762 61156.89       2902.996 1436.706 21.33603 1432.695 34.54954 4.011353       40.60661 
1 1 1 2   12 19 o 970.0282 12.44936 27657.06       708.2424 27857.71       841.4478 27169.49       1311.673 973.0826 14.74439 958.6285 23.33054 14.45404       27.59912 
1 1 1 2   12 20 o 473.1656 7.054483 6570.934       195.7622 6543.025       224.1575 6660.631       401.8612 472.0942 8.096066 475.5062 14.42686 -3.411957      16.54330 
1 1 1 2   12 21 o 333.4600 6.068522 3263.113       118.6799 3271.646       132.4530 3228.363       267.2836 333.8656 6.764559 330.8808 13.80401 2.984741       15.37237 
1 1 1 2   12 22 o 640.2642 8.561424 12041.44       321.4813 12040.16       374.1432 12045.06       628.4313 640.0367 9.967414 638.5988 16.79408 1.437866       19.52922 
1 1 1 2   12 23 o 342.0398 5.923986 3433.880       118.8341 3417.609       134.0058 3493.779       257.1140 341.1837 6.697069 344.1848 12.75957 -3.001099      14.41032 
1 1 1 2   12 24 o 136.8413 13.92302 558.0134       110.1836 472.5566       137.1255 713.7224       185.0980 124.8018 19.36166 153.5747 21.10878 -28.77295      28.64358 
1 1 1 2   12 25 o 265.6733 5.851181 2072.247       91.16791 2066.338       100.1533 2100.818       220.2200 265.2605 6.437872 266.3523 14.14851 -1.091797      15.54434 
1 1 1 2   12 26 o 204.8703 6.679473 1234.229       80.14764 1234.229       80.14764 0.000000       0.000000 204.8703 6.679473 ?        ?        0.000000       6.679473 
1 1 1 2   12 27 o 290.4054 5.922678 2476.805       100.8726 2441.506       110.7442 2648.746       244.4141 288.2796 6.550231 298.9597 13.97872 -10.68005      15.43729 
1 1 1 2   12 28 o 208.8582 6.375501 1282.787       78.00231 1274.688       83.82957 1335.040       212.9318 208.1490 6.876524 211.2030 17.34320 -3.053986      18.65672 
1 1 1 2   12 29 o 264.2817 6.200776 2051.984       96.10891 2046.335       105.2285 2080.402       236.0186 263.7795 6.807774 264.4180 15.28479 -0.6384888     16.73232 
1 1 1 2   12 30 o 253.0150 6.542645 1882.414       97.00311 1891.722       106.3593 1836.381       236.5249 253.5712 7.159122 248.1061 16.34614 5.465134       17.84515 
1 1 1 2   12 31 o 535.5331 7.817246 8434.937       245.5221 8450.201       283.0667 8388.569       493.3406 535.7570 9.008869 531.3892 15.84781 4.367859       18.22945 
1 1 1 2   12 32 o 124.1778 12.78217 460.5305       91.76103 443.1582       97.69212 590.7086       267.4234 121.5738 13.95419 135.5908 33.76006 -14.01693      36.53028 
1 1 1 2   12 33 o 213.7945 8.191601 1347.090       102.5207 1420.984       110.4928 889.7274       274.8892 219.5332 8.598519 168.4169 28.86893 51.11638       30.12224 
1 1 1 2   12 34 o 397.5411 7.095741 4648.263       165.4361 4570.335       182.0263 5018.255       396.6300 394.0573 7.876334 410.0284 16.52768 -15.97107      18.30849 
1 1 1 2   12 35 o 74.40238 19.54141 172.6043       86.35049 133.4224       90.39592 581.2056       291.9146 66.60728 20.83646 132.5603 36.42883 -65.95303      41.96687 
1 1 1 2   12 36 o 115.7106 13.47299 403.2045       89.72152 401.6943       94.54711 416.8758       284.4747 115.3046 14.28682 113.7138 37.11418 1.590752       39.76903 
1 1 1 2   12 37 o 580.3671 8.515036 9936.988       289.8276 9787.382       328.5673 10461.56       615.2520 575.4484 9.735704 589.2596 17.82359 -13.81122      20.30922 
1 1 1 2   12 38 o 214.7387 8.722903 1364.203       109.6269 1323.841       115.9204 1705.924       337.2945 211.3886 9.373663 233.2240 25.05183 -21.83537      26.74808 
1 1 1 2   12 39 f 29.74808 14.62031 -177.3421      88.61529 -154.8989      93.35306 -381.7663      281.7424 32.25491 15.66660 57.23432 27.65989 -24.97941      31.78855 
1 1 1 2   12 40 o 45.64251 19.12656 17.14733       86.12504 -0.8650102     90.35428 196.1555       284.8394 44.33945 19.11610 88.55825 35.68088 -44.21880      40.47901 
1 1 1 2   12 41 o 87.68711 18.58885 246.2918       92.62457 267.6821       97.48381 47.63683       297.0800 91.42156 18.80951 77.65255 34.05250 13.76901       38.90206 
1 1 1 2   12 42 o 101.1559 16.22671 321.4847       93.01199 284.5160       97.26399 716.7905       318.0547 94.23846 18.25793 135.7756 38.29352 -41.53716      42.42341 
1 1 1 2   12 43 o 62.65556 21.11516 121.9405       91.88625 134.8074       96.07272 -16.11739      314.6987 65.26715 21.58245 73.85500 33.51247 -8.587845      39.86085 
1 1 1 2   12 44 o 72.04154 21.44587 172.9847       97.32794 137.9544       101.7824 547.1207       332.6332 65.68848 22.22302 113.2011 40.07731 -47.51261      45.82634 
1 1 1 2   12 45 o 44.37014 19.43368 -3.955304      96.49481 -1.857196      101.0309 -25.75912      325.6916 45.53810 19.91669 72.24708 33.27279 -26.70898      38.77825 
1 1 1 2   12 46 o 112.7168 16.04376 405.4891       103.0674 356.3424       107.0039 1036.819       383.5137 104.4106 18.13195 150.6584 41.89171 -46.24776      45.64738 
1 1 1 2   12 47 o 72.06239 22.87235 179.8444       108.5512 176.5210       113.9018 212.7455       358.3790 71.46426 23.49395 83.80184 37.04903 -12.33758      43.87022 
1 1 1 2   12 48 o 182.1958 11.71572 1019.840       124.5231 1007.224       131.6419 1127.118       383.8668 180.4873 12.51395 154.5396 41.48674 25.94766       43.33300 
1 1 1 2   12 49 f 158.3686 15.04498 797.5317       138.0606 855.3730       147.2396 376.5346       397.2328 163.6417 15.52774 90.97758 39.64674 72.66415       42.57904 
1 1 1 2   12 50 o 142.0909 15.61326 649.1365       127.9687 604.6477       132.7222 1237.055       482.4777 136.0092 17.00980 140.7979 48.36903 -4.788727      51.27276 
1 1 1 2   13 0  o 641.0551 11.27233 12076.81       423.7988 12475.86       623.4106 11733.94       577.8618 650.5807 16.35184 631.2632 15.60857 19.31750       22.60553 
1 1 1 2   13 1  o 528.6540 9.581414 8207.967       297.0651 8603.785       442.1244 7882.207       401.0933 540.6038 13.95655 517.5276 13.22566 23.07617       19.22768 
1 1 1 2   13 2  o 97.55939 7.977010 281.2513       45.24335 260.7536       55.20812 323.1682       78.94888 93.66614 10.21546 103.9992 13.24394 -10.33305      16.72595 
1 1 1 2   13 3  o 463.1765 7.123825 6295.914       193.5131 6483.061       338.7831 6205.283       235.7585 469.4790 12.31488 459.7381 8.743921 9.740906       15.10339 
1 1 1 2   13 4  o 518.6802 6.754893 7894.278       205.4796 8062.446       295.4930 7736.821       285.9271 523.9947 9.615454 513.3127 9.497795 10.68201       13.51536 
1 1 1 2   13 5  o 228.6631 5.444912 1533.869       73.01925 1547.642       83.59489 1489.535       149.9852 229.5893 6.214084 224.8923 11.40892 4.697021       12.99147 
1 1 1 2   13 6  o 677.0831 9.728111 13459.20       386.2967 13408.13       468.6935 13567.38       682.1411 675.6058 11.82892 678.7375 17.15023 -3.131653      20.83395 
1 1 1 2   13 7  o 455.0471 6.673201 6075.135       178.0906 6257.148       237.8424 5842.856       268.6849 461.7268 8.783217 446.1066 10.26961 15.62021       13.51332 
1 1 1 2   13 8  o 463.7988 7.219862 6311.310       196.3853 6293.959       236.0922 6350.278       353.8146 463.1033 8.692673 464.7606 12.99339 -1.657318      15.63300 
1 1 1 2   13 9  o 717.4818 10.28671 15111.38       432.8503 14963.84       521.6120 15437.66       775.6987 713.7935 12.46019 724.1280 18.27993 -10.33453      22.12266 
1 1 1 2   13 10 o 616.6036 11.12379 11162.46       402.2624 11499.97       585.1839 10860.10       553.8762 625.2512 15.97140 607.6456 15.55496 17.60559       22.29445 
1 1 1 2   13 11 o 664.2969 11.87006 12958.28       462.4510 13178.46       662.0685 12748.51       646.2279 669.2318 16.88196 658.2344 16.75358 10.99731       23.78409 
1 1 1 2   13 12 o 460.2817 7.887661 6216.429       212.9230 6216.429       212.9230 0.000000       0.000000 460.2817 7.887661 ?        ?        0.000000       7.887661 
1 1 1 2   13 13 o 365.5482 8.507483 3921.385       182.3880 3921.385       182.3880 0.000000       0.000000 365.5482 8.507483 ?        ?        0.000000       8.507483 
1 1 1 2   13 14 o 1004.479 15.21543 29662.03       896.3458 29662.03       896.3458 0.000000       0.000000 1004.479 15.21543 ?        ?        0.000000       15.21543 
1 1 1 2   13 15 o 514.6556 8.788050 7773.928       265.2526 7773.928       265.2526 0.000000       0.000000 514.6556 8.788050 ?        ?        0.000000       8.788050 
1 1 1 2   13 16 o 155.9540 7.172571 715.1626       65.42706 697.9252       68.17475 916.1681       232.8046 154.0346 7.569847 174.6624 23.30827 -20.62785      24.50669 
1 1 1 2   13 17 o 811.1633 10.64930 19323.79       506.6170 18753.16       570.2232 21462.02       1103.822 798.9127 12.17013 852.4630 22.09731 -53.55035      25.22703 
1 1 1 2   13 18 o 556.9876 7.805462 9105.458       254.9733 9011.819       292.2810 9403.622       521.5565 554.0346 8.995250 565.0372 15.75426 -11.00262      18.14142 
1 1 1 2   13 19 o 289.5912 5.904913 2460.645       100.2881 2387.038       108.6008 2886.991       261.3689 285.2093 6.492602 312.9057 14.28027 -27.69641      15.68693 
1 1 1 2   13 20 o 619.6756 8.507910 11276.24       309.1988 10849.94       342.7516 13139.39       716.5481 607.7299 9.616530 666.9489 18.33642 -59.21906      20.70512 
1 1 1 2   13 21 o 262.7094 5.743400 2025.313       88.49021 1998.639       96.05859 2174.855       227.4441 260.9550 6.276535 271.3388 14.34358 -10.38379      15.65673 
1 1 1 2   13 22 o 255.7721 6.580917 1921.749       98.63460 1951.927       110.5202 1803.649       218.6387 257.7201 7.319525 246.8201 15.17754 10.89992       16.85031 
1 1 1 2   13 23 f 107.9874 8.682062 344.9147       54.52229 351.0375       57.21449 284.4088       179.8574 108.9090 9.038952 96.78850 29.23241 12.12052       30.59798 
1 1 1 2   13 24 o 255.4552 5.732582 1915.726       85.88466 1914.345       94.36095 1922.391       207.3350 255.3336 6.301353 254.8334 13.92578 0.5002289      15.28511 
1 1 1 2   13 25 o 180.3320 8.560321 958.3633       90.27587 958.3633       90.27587 0.000000       0.000000 180.3320 8.560321 ?        ?        0.000000       8.560321 
1 1 1 2   13 26 o 50.89582 16.70236 73.72539       57.57740 73.72539       57.57740 0.000000       0.000000 50.89582 16.70236 ?        ?        0.000000       16.70236 
1 1 1 2   13 27 o 77.12622 13.77619 181.1342       60.02660 134.2531       62.88732 661.5410       201.3116 65.97377 16.33943 146.4427 24.29032 -80.46890      29.27450 
1 1 1 2   13 28 o 248.4565 6.246425 1814.736       90.94691 1816.955       98.32578 1801.590       239.2856 248.5561 6.751417 245.6682 16.70740 2.887863       18.01996 
1 1 1 2   13 29 o 131.4200 9.210208 511.0459       70.53800 472.6408       74.20439 871.1277       227.2143 126.2401 10.10700 168.5473 23.63461 -42.30721      25.70498 
1 1 1 2   13 30 o 124.2468 10.50441 458.3184       75.82684 458.7980       80.16261 454.2408       233.7296 124.2201 11.12099 119.3868 32.51126 4.833382       34.36071 
1 1 1 2   13 31 o 165.9137 9.249870 813.0495       89.64903 823.3490       95.48647 736.4557       260.3943 166.8917 9.798774 152.7583 30.13629 14.13338       31.68930 
1 1 1 2   13 32 o 151.0318 10.52257 675.8688       92.62239 740.0939       98.86890 215.2406       264.7784 158.0464 10.73019 93.70680 35.33469 64.33955       36.92800 
1 1 1 2   13 33 o 39.63966 17.51137 -23.30689      79.91512 -22.14063      83.77414 -35.09811      266.3730 40.82816 17.98721 73.56820 32.25351 -32.74004      36.93005 
1 1 1 2   13 34 o 169.3338 9.473287 848.1871       93.70438 815.9734       98.89814 1130.946       293.0059 165.9593 10.21042 190.4397 26.98946 -24.48038      28.85625 
1 1 1 2   13 35 o 63.24761 20.77486 116.8609       89.07006 109.6579       93.23357 192.1477       301.4231 62.33225 21.26682 93.59141 37.03752 -31.25916      42.70896 
1 1 1 2   13 36 o 218.7497 8.159590 1412.575       104.4971 1364.378       110.9749 1789.636       310.4004 214.8583 8.825665 241.4568 22.16672 -26.59845      23.85909 
1 1 1 2   13 37 o 163.5653 16.00288 809.1495       151.5492 782.4897       174.4511 891.1609       305.9731 159.8460 18.97896 164.4485 32.87507 -4.602539      37.96012 
1 1 1 2   13 38 o 103.4645 16.56096 329.9466       97.10324 313.2697       101.9151 494.1469       319.7929 100.3478 17.97760 120.2225 39.35770 -19.87478      43.26919 
1 1 1 2   13 39 o 38.35566 17.53722 -53.49266      88.28160 -28.41809      92.92732 -285.6280      282.7466 42.02689 18.70708 60.72749 28.90779 -18.70061      34.43277 
1 1 1 2   13 40 o 205.1829 8.895904 1251.548       106.7944 1280.508       113.6578 1033.256       312.0468 207.3945 9.368595 173.2118 31.89273 34.18272       33.24029 
1 1 1 2   13 41 o 175.5905 9.957056 922.5591       102.1172 911.3824       107.9817 1017.152       314.1404 174.2835 10.61470 169.3755 32.80975 4.908005       34.48408 
1 1 1 2   13 42 o 44.50584 19.19674 2.690162       91.20050 -2.726377      94.76629 70.63007       335.6259 44.67015 19.41691 80.96356 35.82111 -36.29341      40.74517 
1 1 1 2   13 43 o 161.7943 11.10945 791.5457       104.7761 829.9418       110.2466 433.2046       336.7986 165.5459 11.42532 104.7053 39.76749 60.84066       41.37622 
1 1 1 2   13 44 o 40.42478 18.41165 -43.43779      96.09438 -46.73498      100.6258 -9.282917      323.8651 41.17107 18.78587 73.40865 33.57399 -32.23758      38.47235 
1 1 1 2   13 45 o 49.79546 20.80870 34.94026       101.5119 35.57928       105.6689 27.29444       365.5113 50.58897 21.19169 77.21371 35.44576 -26.62474      41.29758 
1 1 1 2   13 46 o 53.91701 21.61421 65.91477       103.9619 62.45819       108.0023 109.5373       383.6763 54.01991 21.89702 80.63026 36.74902 -26.61036      42.77815 
1 1 1 2   13 47 f 153.6811 12.78085 731.8512       114.1526 785.3475       119.9649 219.5625       371.2354 159.1054 12.96877 84.23489 37.44879 74.87053       39.63081 
1 1 1 2   13 48 o 111.0335 19.71524 415.3766       123.6802 426.1169       131.3616 331.5146       367.0651 111.6814 20.82145 89.13161 38.47916 22.54979       43.75133 
1 1 1 2   13 49 o 185.2638 13.01937 1069.459       140.5585 995.6572       149.4192 1636.931       414.3295 177.5062 14.47865 193.2043 37.92065 -15.69812      40.59073 
1 1 1 2   14 0  o 590.5552 10.50913 10241.59       363.9803 10237.89       512.1248 10245.38       517.4075 589.8445 14.81602 590.0397 14.96413 -0.1951904     21.05801 
1 1 1 2   14 1  o 376.6772 7.575775 4163.721       167.3582 4205.885       233.4946 4119.174       239.9999 378.3028 10.53440 374.3469 10.94341 3.955902       15.18986 
1 1 1 2   14 2  o 284.5001 6.583119 2374.777       109.8410 2381.594       148.2424 2366.478       163.5625 284.7059 8.889103 283.7367 9.844102 0.9691467      13.26358 
1 1 1 2   14 3  o 207.9821 4.884624 1268.815       59.58098 1334.740       79.02967 1182.004       90.68893 213.2021 6.327454 200.5490 7.724957 12.65308       9.985571 
1 1 1 2   14 4  o 231.8332 4.904432 1576.498       66.68298 1597.549       87.26316 1546.953       103.3801 233.2661 6.384655 229.4751 7.692458 3.790985       9.996886 
1 1 1 2   14 5  o 243.5031 5.719986 1739.346       81.68644 1790.171       93.90802 1581.318       165.5898 246.9372 6.489964 231.7080 12.22876 15.22916       13.84421 
1 1 1 2   14 6  o 651.3990 9.442269 12454.34       360.7231 12341.59       433.7577 12707.17       649.5540 648.3047 11.40821 657.0908 16.86936 -8.786072      20.36474 
1 1 1 2   14 7  o 597.6339 8.779121 10481.61       307.7066 10426.34       371.4147 10602.57       549.4457 595.9485 10.62673 600.3669 15.61804 -4.418396      18.89049 
1 1 1 2   14 8  o 248.1805 5.274759 1806.654       76.77518 1881.411       97.40507 1684.023       124.7540 253.1591 6.566051 239.3840 8.901556 13.77507       11.06123 
1 1 1 2   14 9  o 508.4664 7.805310 7585.851       232.7571 7490.251       276.9436 7815.815       429.5283 505.1869 9.347357 515.5645 14.21914 -10.37759      17.01637 
1 1 1 2   14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   14 11 o 826.2234 14.43630 20060.56       699.5259 18978.68       908.8160 21633.32       1095.762 802.9611 19.29883 856.5515 21.83063 -53.59039      29.13797 
1 1 1 2   14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   14 13 f 802.2133 10.60700 18894.69       499.0371 18737.31       578.8395 19350.36       984.9147 798.6882 12.35749 810.1475 20.74634 -11.45929      24.14784 
1 1 1 2   14 14 o 805.8978 12.62241 19080.28       596.5854 19080.28       596.5854 0.000000       0.000000 805.8978 12.62241 ?        ?        0.000000       12.62241 
1 1 1 2   14 15 o 78.62160 12.87297 186.3493       57.30456 186.3493       57.30456 0.000000       0.000000 78.62160 12.87297 ?        ?        0.000000       12.87297 
1 1 1 2   14 16 o 281.3175 9.858904 2326.517       162.4068 2326.517       162.4068 0.000000       0.000000 281.3175 9.858904 ?        ?        0.000000       9.858904 
1 1 1 2   14 17 o 348.4091 6.881138 3562.051       140.6048 3562.051       140.6048 0.000000       0.000000 348.4091 6.881138 ?        ?        0.000000       6.881138 
1 1 1 2   14 18 o 122.9417 8.109578 445.6309       58.14545 445.6309       58.14545 0.000000       0.000000 122.9417 8.109578 ?        ?        0.000000       8.109578 
1 1 1 2   14 19 o 457.8698 7.834444 6154.817       210.3782 6154.817       210.3782 0.000000       0.000000 457.8698 7.834444 ?        ?        0.000000       7.834444 
1 1 1 2   14 20 o 561.1943 7.907873 9247.806       260.2696 9158.061       299.3448 9525.822       526.8660 558.3369 9.141658 568.1897 15.82630 -9.852844      18.27681 
1 1 1 2   14 21 o 299.7288 9.030438 2642.096       158.5595 2618.115       208.0365 2675.336       244.9268 298.0399 11.92593 301.0099 13.91173 -2.970093      18.32387 
1 1 1 2   14 22 o 633.3271 8.634907 11786.92       320.7275 11655.13       370.5771 12180.31       640.2495 629.5417 10.03699 641.6226 17.02955 -12.08093      19.76731 
1 1 1 2   14 23 o 137.0784 7.299870 553.5212       58.47439 563.3569       61.92653 472.6083       177.6166 138.2623 7.667016 123.5091 25.37029 14.75317       26.50348 
1 1 1 2   14 24 o 392.5106 6.301848 4524.301       145.0674 4511.683       164.4661 4568.523       307.8975 391.8809 7.156024 393.2077 13.37106 -1.326752      15.16555 
1 1 1 2   14 25 o 314.3340 5.940205 2901.468       109.5074 2895.137       122.3753 2926.908       245.3293 313.9350 6.646658 314.5370 13.32947 -0.6020203     14.89472 
1 1 1 2   14 26 o 230.8296 6.223645 1566.260       84.17641 1537.176       90.43946 1754.695       230.2044 228.6253 6.752419 242.6716 16.26898 -14.04636      17.61462 
1 1 1 2   14 27 o 56.81368 16.52945 97.77361       58.37861 75.32307       60.92603 349.5276       204.0224 51.67580 17.19043 105.6516 30.94679 -53.97581      35.40077 
1 1 1 2   14 28 o 203.3807 6.844037 1217.107       81.51798 1191.724       87.04344 1398.210       232.5017 201.1889 7.389585 215.7848 18.55183 -14.59590      19.96939 
1 1 1 2   14 29 o 279.0045 6.450647 2287.355       105.5517 2222.910       113.7350 2687.469       283.3927 274.9004 7.060375 300.3921 16.14538 -25.49167      17.62164 
1 1 1 2   14 30 o 126.5164 11.16919 475.8231       82.02385 503.9736       86.85798 243.8349       249.3441 130.1823 11.49442 95.38844 34.58770 34.79388       36.44764 
1 1 1 2   14 31 o 244.6570 7.700509 1762.141       110.3536 1777.933       119.3201 1668.755       290.1566 245.6753 8.293250 235.0263 21.28105 10.64902       22.83990 
1 1 1 2   14 32 o 62.61502 19.93892 115.5132       82.43646 98.67828       86.72342 273.2753       265.4805 59.79078 20.50788 99.35105 35.73400 -39.56027      41.20063 
1 1 1 2   14 33 o 51.60478 20.07660 51.21748       87.28802 68.87266       92.11850 -104.0046      273.1414 55.31726 20.84546 70.17907 31.59085 -14.86180      37.84858 
1 1 1 2   14 34 o 208.6118 8.649364 1284.813       105.5919 1286.953       112.6794 1269.394       302.5017 208.6883 9.229362 201.9717 26.15131 6.716614       27.73215 
1 1 1 2   14 35 o 61.84409 20.62321 110.4497       87.67774 97.93415       92.43674 222.6940       276.8228 60.09198 21.14003 93.95261 35.96358 -33.86063      41.71666 
1 1 1 2   14 36 o 274.7396 7.447808 2225.201       119.8945 2178.312       128.2622 2549.794       337.4687 271.7045 8.058078 289.4970 19.99936 -17.79254      21.56171 
1 1 1 2   14 37 o 74.34996 21.08562 173.4827       96.16086 154.2379       101.2449 350.7943       307.3164 70.86629 22.03338 106.5617 38.43130 -35.69543      44.29938 
1 1 1 2   14 38 o 35.81862 17.16988 -139.6599      103.5076 -127.0211      110.1754 -234.6983      302.1214 38.28181 18.17199 65.87833 30.90877 -27.59652      35.85489 
1 1 1 2   14 39 o 42.53684 18.64206 -13.73998      88.91409 -20.29448      94.04160 41.49679       273.0012 43.06051 19.01053 76.23188 33.04716 -33.17137      38.12499 
1 1 1 2   14 40 o 129.1555 12.70920 506.3729       95.02221 503.2418       99.57371 538.2921       317.9258 128.5082 13.40889 119.3893 39.25135 9.118866       41.47851 
1 1 1 2   14 41 f 175.7017 10.07005 924.9288       103.3321 918.8483       108.8764 980.1118       327.9937 174.8961 10.66529 163.2527 35.28788 11.64340       36.86438 
1 1 1 2   14 42 o 130.5128 13.08863 521.2863       98.83323 546.4563       104.4282 305.0948       306.0521 133.4678 13.52769 94.81966 37.38403 38.64816       39.75631 
1 1 1 2   14 43 o 140.8613 12.96281 608.6184       105.8880 597.0804       111.0247 724.7255       352.1949 139.1124 13.78956 129.6856 41.20326 9.426819       43.44952 
1 1 1 2   14 44 o 118.0221 15.48956 438.7964       104.6291 456.6053       109.6224 256.5652       350.6650 120.1858 15.94539 89.56865 38.11423 30.61711       41.31525 
1 1 1 2   14 45 o 90.71403 19.99423 275.7213       103.5019 331.4781       107.6432 -407.3708      376.7710 100.2564 19.00259 62.61187 30.64274 37.64451       36.05657 
1 1 1 2   14 46 f 145.7795 13.47594 661.2903       113.9106 710.4711       119.5944 180.4578       373.9468 151.0291 13.64922 83.18067 37.24124 67.84838       39.66373 
1 1 1 2   14 47 o 72.71836 23.31568 184.9950       112.5738 216.7677       117.7121 -155.2918      385.2269 78.07705 23.66336 69.17586 33.15028 8.901192       40.72955 
1 1 1 2   14 48 o 157.4592 13.91643 779.3546       127.1912 791.0516       134.5521 681.1394       389.8916 158.0535 14.68354 111.4415 42.67521 46.61208       45.13070 
1 1 1 2   14 49 o 78.84354 24.35131 227.0600       123.9024 199.4727       129.0829 550.2020       441.7857 74.21150 25.02673 99.26376 42.52448 -25.05225      49.34235 
1 1 1 2   15 0  o 704.9129 12.29972 14594.47       508.4884 14323.46       698.7308 14899.59       741.3858 697.8188 17.07327 711.6240 17.76410 -13.80518      24.63858 
1 1 1 2   15 1  o 280.1450 6.813309 2302.498       111.9416 2384.333       152.7041 2207.439       164.5808 284.8772 9.151799 274.0247 10.25903 10.85251       13.74784 
1 1 1 2   15 2  o 292.0609 6.862914 2502.542       117.5527 2543.817       158.5027 2452.086       175.2443 294.2588 9.195815 288.8256 10.36244 5.433167       13.85436 
1 1 1 2   15 3  o 495.1756 9.187383 7196.413       266.8097 7538.515       392.6870 6903.054       363.6371 506.4008 13.23348 484.6114 12.80574 21.78946       18.41499 
1 1 1 2   15 4  o 239.7106 5.101980 1685.423       71.72599 1784.584       95.85040 1559.233       108.1274 246.5500 6.634883 230.3790 8.015018 16.17108       10.40491 
1 1 1 2   15 5  f 739.5340 10.55162 16055.18       457.6440 16092.24       559.0844 15979.93       796.7041 740.1875 12.87909 736.7358 18.45341 3.451721       22.50332 
1 1 1 2   15 6  o 711.7190 10.20952 14869.05       426.1517 14827.14       517.2084 14957.66       752.0299 710.5412 12.41154 712.8412 18.00278 -2.299988      21.86656 
1 1 1 2   15 7  o 369.1694 6.542526 3998.112       141.6517 4091.096       169.6599 3784.131       257.3715 373.4061 7.747245 358.7571 12.25031 14.64893       14.49447 
1 1 1 2   15 8  o 428.0300 6.489604 5374.666       162.9082 5342.588       209.9280 5423.227       258.2937 426.6907 8.388933 429.8246 10.24642 -3.133911      13.24248 
1 1 1 2   15 9  o 525.6594 8.124590 8108.147       250.4704 8091.138       300.3287 8147.004       453.9288 525.0298 9.753542 526.3091 14.72052 -1.279297      17.65857 
1 1 1 2   15 10 o 591.1782 8.926993 10257.00       309.5096 10021.88       362.9355 10883.94       592.6512 584.2637 10.59181 608.1249 16.63275 -23.86115      19.71889 
1 1 1 2   15 11 o 232.5646 10.60298 1591.236       144.2375 1606.523       181.6640 1565.162       237.2543 233.4611 13.32327 229.9640 17.72830 3.497131       22.17661 
1 1 1 2   15 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 14 o 209.3434 7.307059 1287.533       89.57484 1287.533       89.57484 0.000000       0.000000 209.3434 7.307059 ?        ?        0.000000       7.307059 
1 1 1 2   15 15 o 673.5103 9.204493 13316.91       363.5755 12900.10       408.0750 14921.46       800.6578 662.7729 10.49844 711.3198 19.21008 -48.54688      21.89165 
1 1 1 2   15 16 o 458.9326 9.966862 6185.205       268.2612 6185.205       268.2612 0.000000       0.000000 458.9326 9.966862 ?        ?        0.000000       9.966862 
1 1 1 2   15 17 o 488.1511 7.768538 6994.682       222.4047 6699.874       251.4582 8053.879       476.6332 477.6722 8.976051 522.7849 15.56305 -45.11261      17.96602 
1 1 1 2   15 18 o 424.5386 9.358911 5293.943       233.0199 5293.943       233.0199 0.000000       0.000000 424.5386 9.358911 ?        ?        0.000000       9.358911 
1 1 1 2   15 19 o 248.3563 9.449237 1814.804       137.3819 1853.762       177.3390 1756.333       217.2572 250.7462 12.09490 243.6498 15.28094 7.096375       19.48829 
1 1 1 2   15 20 o 272.7328 5.813337 2182.996       92.98512 2180.204       101.0138 2198.496       237.9975 272.5380 6.319797 272.6689 14.93994 -0.1309509     16.22165 
1 1 1 2   15 21 o 335.0424 5.871084 3294.864       115.3636 3251.856       128.1261 3479.056       265.1532 332.8086 6.564364 343.3636 13.19170 -10.55502      14.73471 
1 1 1 2   15 22 o 458.0178 6.897292 6160.853       185.2727 6057.180       209.9664 6525.474       393.7666 454.0427 7.885015 469.9952 14.30212 -15.95255      16.33169 
1 1 1 2   15 23 o 148.5375 6.829787 649.4186       59.33757 634.9506       63.04200 761.7857       175.6891 146.8264 7.344399 159.0269 19.22744 -12.20044      20.58239 
1 1 1 2   15 24 o 221.7117 5.924229 1444.449       76.96292 1394.443       82.29339 1793.367       217.3780 217.7948 6.449790 245.7438 15.15657 -27.94897      16.47184 
1 1 1 2   15 25 o 204.1847 6.325348 1225.826       75.65439 1156.474       80.42667 1758.731       222.9441 198.2651 6.927411 243.1190 15.72031 -44.85390      17.17897 
1 1 1 2   15 26 o 183.4431 6.635799 990.1021       71.27364 934.1566       75.71400 1425.538       211.2300 178.1177 7.263243 218.4751 16.61002 -40.35739      18.12864 
1 1 1 2   15 27 o 197.4437 6.732765 1147.029       77.84872 1159.072       83.78109 1070.906       210.6311 198.4297 7.211267 188.4474 19.33198 9.982300       20.63317 
1 1 1 2   15 28 o 43.32285 17.13026 31.10114       64.43028 -6.030612      67.23189 448.9877       225.5443 38.24197 16.48851 118.7108 31.77057 -80.46883      35.79441 
1 1 1 2   15 29 o 263.9264 6.755532 2048.515       104.4806 2003.987       112.2596 2336.814       285.6462 260.9719 7.341942 279.6788 17.50254 -18.70691      18.98007 
1 1 1 2   15 30 o 212.9348 8.250029 1335.975       102.8324 1321.882       109.9832 1433.908       289.9203 211.7269 8.876963 217.1904 23.11551 -5.463531      24.76141 
1 1 1 2   15 31 o 99.64403 15.18976 301.0727       85.96427 299.5637       91.04607 313.4695       260.9581 99.17303 16.21342 103.3936 35.57053 -4.220535      39.09140 
1 1 1 2   15 32 o 214.0456 8.197760 1350.582       102.7185 1388.214       110.6120 1114.793       276.8783 216.9383 8.711630 189.9970 25.49055 26.94138       26.93809 
1 1 1 2   15 33 o 158.9194 10.34633 748.6906       95.90611 735.8450       101.8553 849.1166       284.7940 157.4147 11.10410 163.0280 30.91740 -5.613266      32.85098 
1 1 1 2   15 34 o 357.8766 7.164530 3769.672       150.3736 3773.270       165.2799 3752.383       362.3272 357.9092 7.874024 353.3888 17.53705 4.520477       19.22364 
1 1 1 2   15 35 o 210.0153 8.444006 1302.783       103.7919 1319.419       110.8811 1185.022       295.0086 211.2565 8.969877 194.1353 26.61025 17.12115       28.08139 
1 1 1 2   15 36 o 121.1449 13.90648 442.9951       97.01417 429.3535       101.5409 585.8416       328.5808 118.9981 14.87349 130.9529 39.50271 -11.95484      42.21001 
1 1 1 2   15 37 o 157.2918 11.13555 738.0200       102.0590 695.8101       106.9726 1166.085       340.6590 152.4792 12.06036 188.1396 32.01965 -35.66034      34.21564 
1 1 1 2   15 38 f 238.9457 8.185933 1689.637       114.5450 1672.523       121.9375 1818.081       334.0550 237.5722 8.766709 239.8456 24.07363 -2.273407      25.62020 
1 1 1 2   15 39 o 46.34099 19.26904 22.28565       86.41572 -17.72754      90.84560 402.8096       280.1518 42.47301 18.72067 107.1149 36.85526 -64.64193      41.33731 
1 1 1 2   15 40 o 138.9298 11.71075 583.1053       94.53043 562.7247       99.06739 790.4509       315.9872 136.1702 12.54599 145.4318 36.97247 -9.261581      39.04312 
1 1 1 2   15 41 o 159.8699 10.81998 769.5215       100.8503 769.4424       105.9017 770.2925       330.4833 159.6399 11.38601 140.0380 38.86857 19.60194       40.50193 
1 1 1 2   15 42 o 135.7227 13.07050 564.2893       102.7537 598.1924       107.5201 207.1304       348.9798 139.6756 13.28537 88.84690 37.92154 50.82870       40.18139 
1 1 1 2   15 43 o 68.66765 22.08377 155.1374       100.9380 189.3443       105.3180 -230.6427      353.6843 74.96095 22.30730 67.04795 32.03132 7.913002       39.03358 
1 1 1 2   15 44 o 58.23409 22.17256 92.59982       104.8608 76.00580       109.6645 269.6600       358.2207 56.44773 22.33962 89.99228 38.41566 -33.54454      44.43896 
1 1 1 2   15 45 o 56.01978 22.17210 76.83436       108.0343 65.49441       113.8397 179.5878       342.6780 55.28917 22.45549 82.58742 36.38208 -27.29825      42.75401 
1 1 1 2   15 46 o 138.7990 14.64291 607.2920       117.4025 586.2503       123.4024 808.0300       381.1519 135.5840 15.81570 126.1638 43.00065 9.420189       45.81695 
1 1 1 2   15 47 o 134.5748 15.48408 577.7043       119.9834 640.1922       127.4340 89.70820       356.1195 141.6503 15.59758 76.55206 35.08456 65.09823       38.39545 
1 1 1 2   15 48 o 113.2683 18.95238 429.5170       121.4547 453.7586       126.7320 156.4947       425.3088 116.2480 19.26275 81.12281 37.59376 35.12518       42.24150 
1 1 1 2   15 49 o 54.83112 22.81108 62.61267       121.1950 41.86216       126.2824 304.6991       431.3338 53.23082 22.76818 86.38512 39.21243 -33.15431      45.34319 
1 1 1 2   16 0  o 786.3425 13.59700 18165.07       627.0546 18187.06       885.3004 18142.92       888.2855 786.1057 19.20256 785.1380 19.29106 0.9677124      27.21917 
1 1 1 2   16 1  o 823.7031 14.18646 19935.37       685.3229 19810.46       957.6987 20066.45       981.1115 820.3306 19.90625 825.5553 20.26383 -5.224670      28.40566 
1 1 1 2   16 2  o 117.4856 8.614026 407.2204       58.94024 379.5080       74.43184 453.8151       96.51394 113.1227 11.37329 123.5555 13.54072 -10.43282      17.68340 
1 1 1 2   16 3  o 378.1036 6.416141 4193.900       142.2772 4366.108       177.6987 3886.333       237.4801 385.7494 7.854681 363.6564 11.14804 22.09293       13.63726 
1 1 1 2   16 4  o 647.0134 8.180326 12283.86       310.4091 12551.71       446.0344 12032.29       432.2592 653.8083 11.63235 640.1462 11.51369 13.66217       16.36694 
1 1 1 2   16 5  o 516.7940 7.989095 7836.679       242.1395 7754.316       286.3415 8043.402       453.6427 514.0034 9.498779 522.9526 14.80602 -8.949219      17.59105 
1 1 1 2   16 6  o 457.7702 7.362079 6148.273       197.6507 6100.130       233.6053 6269.567       370.7975 455.9234 8.736554 461.7499 13.70757 -5.826447      16.25500 
1 1 1 2   16 7  o 272.7895 6.447731 2183.040       103.1538 2237.904       116.5092 1984.046       221.8898 276.0878 7.201677 259.4188 14.64375 16.66898       16.31881 
1 1 1 2   16 8  o 25.73512 12.43266 -91.54308      56.79587 -71.66862      63.76265 -167.8738      124.9592 29.83446 14.06049 40.01532 19.09547 -10.18085      23.71359 
1 1 1 2   16 9  o 245.6719 7.072194 1772.251       101.7907 1722.657       111.9344 2009.277       244.7061 242.1659 7.891879 260.9096 16.07003 -18.74371      17.90328 
1 1 1 2   16 10 o 732.3793 13.22308 15759.32       567.9620 14791.35       727.9648 17265.20       907.9786 709.0125 17.50677 765.3094 20.24742 -56.29688      26.76649 
1 1 1 2   16 11 o 276.9135 10.98434 2255.252       178.0354 2012.122       214.2318 2798.009       320.0858 261.2772 14.03228 307.8235 17.80622 -46.54630      22.67082 
1 1 1 2   16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 13 o 657.0318 12.17158 12683.03       469.0119 11968.04       603.6373 13772.17       745.0193 637.5776 16.15632 683.5414 18.60185 -45.96387      24.63850 
1 1 1 2   16 14 o 678.5798 13.95749 13538.86       555.4677 13942.05       716.7548 12932.60       878.9172 687.8116 17.78341 661.3843 22.69276 26.42725       28.83073 
1 1 1 2   16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 16 o 179.9406 6.249952 951.2405       65.85617 940.4137       68.75588 1071.537       229.1853 178.8950 6.564447 189.3157 20.99442 -10.42064      21.99676 
1 1 1 2   16 17 o 136.6818 7.961778 550.3456       63.54582 550.3456       63.54582 0.000000       0.000000 136.6818 7.961778 ?        ?        0.000000       7.961778 
1 1 1 2   16 18 o 313.9710 6.594484 2893.391       121.4286 2893.391       121.4286 0.000000       0.000000 313.9710 6.594484 ?        ?        0.000000       6.594484 
1 1 1 2   16 19 o 542.5856 7.638047 8645.131       243.0531 8656.847       282.2917 8611.554       477.8813 542.8198 8.867311 540.2144 15.09835 2.605347       17.50970 
1 1 1 2   16 20 o 232.0714 5.738549 1580.733       78.10419 1543.166       83.97417 1821.609       212.6371 229.1927 6.253173 248.0767 14.68077 -18.88397      15.95704 
1 1 1 2   16 21 o 230.2782 5.738104 1556.586       77.49466 1562.732       83.49242 1518.356       208.2231 230.6311 6.178314 226.1307 15.80010 4.500397       16.96511 
1 1 1 2   16 22 o 252.7722 5.629859 1875.688       83.45979 1879.270       91.03680 1856.815       208.9545 252.9871 6.135756 250.3447 14.29127 2.642349       15.55274 
1 1 1 2   16 23 o 291.6586 5.832874 2497.684       99.77182 2454.295       108.7880 2727.374       250.3007 289.0745 6.416832 303.4963 14.10090 -14.42178      15.49229 
1 1 1 2   16 24 o 442.3265 6.772320 5748.347       175.6835 5560.657       195.6916 6527.966       398.8351 434.9268 7.671946 469.5340 14.50096 -34.60718      16.40538 
1 1 1 2   16 25 o 392.9991 6.484746 4537.792       149.4635 4469.204       166.4520 4823.284       339.5942 389.9197 7.278860 403.3997 14.37703 -13.48001      16.11462 
1 1 1 2   16 26 o 389.7865 6.560483 4464.556       149.9730 4339.826       164.9335 5060.041       360.3781 384.2052 7.319731 412.9246 14.90563 -28.71936      16.60591 
1 1 1 2   16 27 o 232.4627 6.568663 1589.281       89.46336 1549.433       94.96008 1903.893       266.8249 229.4747 7.064367 252.1284 18.16669 -22.65370      19.49189 
1 1 1 2   16 28 o 548.1278 7.946183 8837.642       255.4412 8923.710       298.0038 8599.232       495.9769 550.4915 9.230401 538.0251 15.73531 12.46637       18.24281 
1 1 1 2   16 29 o 65.24010 19.79912 128.0825       82.36839 111.2978       86.37035 296.7167       273.7670 62.21062 20.45880 102.5815 36.35462 -40.37089      41.71595 
1 1 1 2   16 30 o 380.1115 7.076063 4247.509       157.7442 4201.501       173.3484 4469.101       380.4323 377.9422 7.820668 387.3090 16.78811 -9.366760      18.52036 
1 1 1 2   16 31 o 226.7860 7.844271 1515.002       104.1754 1555.349       111.9968 1256.028       283.7441 229.7245 8.326585 202.4073 24.39415 27.31715       25.77608 
1 1 1 2   16 32 o 332.1896 7.003883 3245.468       136.4506 3388.022       151.4060 2628.936       314.8703 339.3166 7.608297 295.9371 18.23035 43.37949       19.75428 
1 1 1 2   16 33 o 447.7781 7.466837 5902.222       196.0876 5978.841       221.8404 5628.498       419.3028 450.4464 8.397440 433.7506 16.51319 16.69580       18.52572 
1 1 1 2   16 34 o 96.74018 17.21033 288.4850       94.06522 276.8348       100.3726 372.5398       269.6057 94.33578 18.80239 108.5308 36.16331 -14.19500      40.75923 
1 1 1 2   16 35 o 76.29548 20.61876 182.6929       94.43531 180.9903       99.97981 196.7782       287.5746 76.03532 21.47869 92.12806 36.26398 -16.09274      42.14748 
1 1 1 2   16 36 o 163.0853 10.82151 791.7803       102.9176 790.4441       107.4884 806.4963       356.7191 162.8311 11.32634 152.2773 39.58291 10.55383       41.17150 
1 1 1 2   16 37 o 35.25005 16.70785 -105.6543      92.46185 -93.05384      96.54571 -245.2137      321.3069 37.27041 17.48209 67.89641 31.86179 -30.62600      36.34277 
1 1 1 2   16 38 o 155.0570 10.80389 719.3229       97.63308 742.0588       102.7060 506.0730       314.5450 157.3841 11.20035 118.6354 39.04402 38.74873       40.61876 
1 1 1 2   16 39 o 215.3584 12.37639 1397.652       155.6587 1418.509       177.2203 1327.243       325.6141 216.1279 14.05773 198.7308 28.77378 17.39713       32.02421 
1 1 1 2   16 40 o 92.55032 18.21679 274.0708       95.35611 224.9788       99.50696 825.9467       333.6327 82.92063 20.56312 146.6129 38.36483 -63.69227      43.52818 
1 1 1 2   16 41 o 50.31358 20.46700 42.77972       94.74662 33.34030       98.78406 151.2266       334.8287 49.80154 20.64572 85.36126 36.80042 -35.55972      42.19617 
1 1 1 2   16 42 o 100.5541 18.18621 326.0971       103.3020 324.6073       107.8396 342.6909       359.9053 99.87336 19.10696 97.37691 39.78522 2.496445       44.13547 
1 1 1 2   16 43 o 198.5117 10.03254 1187.175       116.4225 1223.851       122.8920 866.0908       363.6139 201.3394 10.44314 140.4021 41.36494 60.93738       42.66283 
1 1 1 2   16 44 o 47.36700 20.45849 10.92003       103.8581 6.769071       108.8055 53.47598       348.3826 47.85196 20.80268 77.11709 35.09748 -29.26513      40.79932 
1 1 1 2   16 45 o 218.3729 10.11281 1443.052       129.1637 1384.662       136.3279 1955.206       403.7516 213.3451 10.93206 227.6439 31.05033 -14.29877      32.91858 
1 1 1 2   16 46 o 124.8822 16.73763 503.6507       119.5033 511.6871       125.4886 425.3819       391.6221 125.3350 17.55242 95.97398 40.53421 29.36103       44.17136 
1 1 1 2   16 47 o 185.5416 11.63159 1058.552       125.9333 1023.976       133.0614 1355.567       389.9959 181.7834 12.55812 173.9860 39.16746 7.797348       41.13145 
1 1 1 2   16 48 o 51.32469 22.13658 28.73705       121.2584 27.13247       125.4646 51.47165       472.2631 51.78989 22.42747 78.81678 37.47362 -27.02689      43.67223 
1 1 1 2   17 0  o 397.3583 8.365712 4633.341       194.9556 4677.325       265.1974 4581.620       287.5782 398.9603 11.34568 394.7696 12.43667 4.190674       16.83434 
1 1 1 2   17 1  o 530.7682 9.927799 8269.251       309.0355 8341.436       431.8573 8193.493       442.4185 532.6496 13.83617 527.8541 14.30439 4.795471       19.90114 
1 1 1 2   17 2  o 462.5977 9.034247 6280.438       245.1015 6626.051       356.6971 5971.278       337.3621 474.7827 12.82189 450.7001 12.77605 24.08252       18.10050 
1 1 1 2   17 3  o 553.7482 10.19820 9001.405       331.1969 9345.233       481.1494 8691.793       456.5821 563.7244 14.56554 543.6702 14.33216 20.05414       20.43443 
1 1 1 2   17 4  o 351.0710 6.532029 3615.790       134.4911 3889.308       170.0519 3158.963       219.7683 364.0680 7.964314 327.7950 11.44932 36.27298       13.94694 
1 1 1 2   17 5  f 315.7107 6.723148 2924.194       124.4837 2945.820       141.1806 2848.642       263.8775 316.8550 7.597383 310.9987 14.50747 5.856293       16.37642 
1 1 1 2   17 6  o 470.6790 7.821830 6500.631       215.9155 6669.614       260.6234 6130.864       385.5277 476.6916 9.322350 456.5114 14.41778 20.18027       17.16912 
1 1 1 2   17 7  o 210.8755 7.880016 1306.691       97.28349 1315.904       106.0155 1257.570       244.7847 211.5794 8.561369 205.6000 20.57687 5.979385       22.28687 
1 1 1 2   17 8  o 330.7504 7.385650 3209.867       143.2648 3292.078       162.8215 2927.981       301.4961 334.9327 8.289032 315.0960 16.37119 19.83670       18.35004 
1 1 1 2   17 9  o 553.2550 11.76454 8990.168       381.7251 9080.340       473.8840 8823.536       644.1937 555.5973 14.55578 546.8965 20.11878 8.700745       24.83216 
1 1 1 2   17 10 o 667.7470 9.971356 13090.79       390.4961 12650.38       450.4724 14422.27       783.2586 656.2697 11.70403 699.5050 19.11045 -43.23535      22.40968 
1 1 1 2   17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 12 o 240.1493 11.44702 1697.940       160.7578 1787.234       199.7144 1533.609       270.9285 246.1715 13.88949 227.1371 20.56083 19.03432       24.81261 
1 1 1 2   17 13 o 962.2676 16.65588 27260.02       939.9701 26066.98       1237.677 28885.97       1444.885 939.4612 22.46352 987.8229 24.96041 -48.36169      33.58023 
1 1 1 2   17 14 o 151.2759 10.34632 675.3148       91.23972 0.000000       0.000000 675.3148       91.23972 ?        ?        151.2759 10.34632 0.000000       10.34632 
1 1 1 2   17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 16 o 338.4055 9.238427 3366.246       183.1806 3139.277       230.8679 3751.963       300.9649 326.5037 12.07741 356.6836 14.41711 -30.17984      18.80736 
1 1 1 2   17 17 o 466.7453 6.968845 6395.032       190.7617 6462.307       220.6435 6195.893       379.6160 469.1129 8.019794 458.4467 14.13593 10.66629       16.25243 
1 1 1 2   17 18 o 621.7110 8.516984 11354.53       310.5453 11160.96       354.7928 11988.65       642.1465 616.2089 9.817395 636.8682 17.20807 -20.65930      19.81159 
1 1 1 2   17 19 o 270.8136 5.767310 2152.591       91.59975 2145.112       100.0560 2191.308       227.6606 270.3182 6.311278 272.2237 14.30999 -1.905487      15.63995 
1 1 1 2   17 20 o 358.1765 6.197493 3766.469       130.1858 3805.866       147.6937 3629.226       275.6637 359.9858 6.995620 350.5629 13.43283 9.422882       15.14528 
1 1 1 2   17 21 o 521.2247 7.450253 7981.937       227.7437 8041.751       266.2275 7818.735       439.7542 522.9940 8.679719 514.2619 14.59535 8.732056       16.98122 
1 1 1 2   17 22 o 96.56905 9.778532 277.2339       54.61872 268.8501       56.87199 376.7909       195.9811 94.99928 10.37621 109.6786 29.72982 -14.67929      31.48854 
1 1 1 2   17 23 o 275.5019 5.909123 2228.938       95.47688 2177.541       103.3274 2529.136       249.7189 272.2678 6.470960 292.0327 14.62697 -19.76483      15.99442 
1 1 1 2   17 24 o 205.1193 6.274227 1237.133       75.38873 1240.348       80.09428 1212.152       223.2344 205.3507 6.659313 200.7678 19.19239 4.582932       20.31488 
1 1 1 2   17 25 o 92.57990 11.54931 256.7810       61.34803 232.7652       64.29073 501.2533       205.1231 87.84144 12.86045 125.9861 28.43799 -38.14466      31.21075 
1 1 1 2   17 26 o 300.9148 6.321417 2660.518       111.5600 2625.421       120.4277 2872.850       296.2074 298.8698 6.870588 310.5479 16.32090 -11.67801      17.70810 
1 1 1 2   17 27 o 309.5480 6.587934 2815.853       119.5991 2744.131       129.2919 3241.106       314.8255 305.5149 7.215864 329.8987 16.32261 -24.38385      17.84646 
1 1 1 2   17 28 o 280.9853 6.953945 2320.683       114.5949 2282.563       122.4587 2589.228       325.0247 278.5137 7.503925 293.9954 18.95156 -15.48172      20.38310 
1 1 1 2   17 29 o 257.7537 7.544111 1955.347       113.9189 1930.750       123.2038 2100.330       299.1208 256.0387 8.215430 264.4939 19.41862 -8.455170      21.08497 
1 1 1 2   17 30 o 140.3437 11.39091 585.2559       92.95126 605.4733       100.0984 458.6547       250.4857 142.6483 12.07835 119.7227 34.05743 22.92556       36.13578 
1 1 1 2   17 31 f 260.3270 7.192596 1994.781       109.7082 1981.135       119.0510 2071.629       282.5160 259.3431 7.836216 262.5876 18.46270 -3.244476      20.05686 
1 1 1 2   17 32 o 237.9092 8.045707 1668.630       112.0987 1732.555       122.1266 1326.629       282.4814 242.3364 8.606591 207.7795 23.59879 34.55692       25.11924 
1 1 1 2   17 33 o 237.5679 8.036482 1664.756       111.8094 1630.884       120.3531 1878.240       302.1465 235.0082 8.747468 248.3006 20.94372 -13.29236      22.69708 
1 1 1 2   17 34 o 68.15701 20.85262 141.9332       91.12160 164.6827       96.47446 -46.17365      277.4141 72.83663 21.26546 73.38993 32.51373 -0.5532990     38.85051 
1 1 1 2   17 35 o 37.34325 17.37194 -79.17561      92.16108 -87.38970      95.90995 19.77808       332.8895 37.67226 17.59044 83.62553 36.37032 -45.95327      40.40079 
1 1 1 2   17 36 o 229.2900 8.627541 1555.426       115.8103 1501.873       122.0676 2037.970       366.4187 225.1498 9.264181 254.8141 24.83379 -29.66428      26.50552 
1 1 1 2   17 37 o 53.08470 20.55548 60.26097       91.17256 123.9001       95.05637 -671.1278      322.2502 64.43557 21.47314 53.98296 26.77713 10.45261       34.32361 
1 1 1 2   17 38 o 244.8843 7.957089 1776.741       114.1271 1774.830       120.9013 1792.379       345.8034 244.5954 8.440800 235.2561 25.46897 9.339340       26.83124 
1 1 1 2   17 39 o 148.1069 11.46893 661.4096       98.84475 685.1996       103.5057 414.9599       333.1430 150.6382 11.81034 106.8185 39.76701 43.81969       41.48372 
1 1 1 2   17 40 o 145.6591 15.01490 654.8384       126.4300 769.4940       134.9860 -164.5497      360.8578 158.1480 14.72285 72.17554 33.83669 85.97250       36.90100 
1 1 1 2   17 41 o 64.23976 21.99166 128.1563       99.71455 149.9363       103.9414 -123.4136      353.2560 68.29620 22.44273 72.26627 33.74863 -3.970070      40.52958 
1 1 1 2   17 42 o 47.62116 20.46227 12.22272       102.8663 27.01132       107.3733 -152.9240      358.8126 50.16055 21.20672 70.40022 33.23203 -20.23967      39.42198 
1 1 1 2   17 43 o 41.13065 18.88298 -54.15397      103.7607 -22.41765      109.0580 -357.2341      337.0216 45.09864 20.15723 60.76613 29.57232 -15.66749      35.78876 
1 1 1 2   17 44 o 68.44870 22.67257 157.0333       106.0100 180.0978       110.2887 -123.0441      384.3240 72.51563 23.05922 71.67949 34.00060 0.8361435      41.08245 
1 1 1 2   17 45 o 135.3367 15.39108 581.4104       119.9941 507.9236       125.4730 1368.172       410.5508 124.9779 17.60580 174.6590 40.81757 -49.68106      44.45265 
1 1 1 2   17 46 o 110.5724 19.19939 408.1671       119.9902 444.0616       125.5663 30.73226       407.1736 115.4028 19.22893 76.81794 35.99048 38.58484       40.80523 
1 1 1 2   17 47 o 136.1720 16.06116 597.4221       125.8022 584.8423       131.4138 735.3557       435.1504 133.9236 17.12259 111.5961 44.39225 22.32747       47.57998 
1 1 1 2   17 48 o 156.9776 14.31071 779.8055       130.3025 798.8199       135.5009 546.1626       474.9825 158.5426 14.74179 97.72459 42.94967 60.81800       45.40919 
1 1 1 2   18 0  o 491.3507 9.774557 7086.862       281.6691 7140.923       385.5626 7024.990       412.4788 492.8204 13.35230 488.6934 14.40751 4.126984       19.64333 
1 1 1 2   18 1  o 754.6548 13.32272 16732.27       589.6464 17025.44       844.0077 16452.75       824.1198 760.4922 18.92348 747.3751 18.81684 13.11713       26.68655 
1 1 1 2   18 2  o 201.4306 9.608554 1193.694       113.1827 1156.434       135.1956 1280.992       206.9411 198.0959 11.68884 207.9791 17.11727 -9.883194      20.72751 
1 1 1 2   18 3  o 437.9882 9.163601 5630.495       235.3851 6200.419       345.7045 5137.912       321.3931 459.2373 12.84826 417.9832 13.12701 41.25412       18.36835 
1 1 1 2   18 4  o 433.4613 6.628129 5512.309       168.4969 5662.229       231.6996 5344.027       245.4780 439.2259 8.994703 426.6695 9.810032 12.55646       13.30945 
1 1 1 2   18 5  o 175.5303 9.037306 906.7155       92.72077 970.2687       99.92699 513.1468       248.6704 181.5671 9.416326 129.0442 32.79448 52.52298       34.11957 
1 1 1 2   18 6  f 220.7737 8.061386 1432.248       104.2024 1430.307       112.2415 1444.359       280.3848 220.5865 8.693112 220.2444 22.00108 0.3421783      23.65624 
1 1 1 2   18 7  o 633.5875 9.616244 11784.47       357.3244 11824.40       430.0492 11695.45       642.1685 634.5054 11.55666 630.1686 17.39231 4.336853       20.88178 
1 1 1 2   18 8  o 756.3234 11.01378 16798.91       488.5336 16841.28       592.2340 16708.70       864.2339 757.0141 13.33948 752.8298 19.59085 4.184265       23.70112 
1 1 1 2   18 9  o 534.4514 7.871121 8382.621       246.7149 8409.164       317.9543 8342.458       391.1135 535.1583 10.13053 532.8483 12.51552 2.309998       16.10173 
1 1 1 2   18 10 o 717.0194 14.24750 15116.63       599.1287 14777.33       724.9963 15847.39       1063.982 708.4496 17.44923 731.7289 24.82923 -23.27930      30.34743 
1 1 1 2   18 11 o 207.5479 8.343749 1266.423       101.3547 1387.189       134.6512 1108.550       153.9548 217.0705 10.60905 193.7042 13.63920 23.36627       17.27946 
1 1 1 2   18 12 o 1009.871 14.18473 29996.88       840.1122 29398.00       997.1606 31461.76       1559.548 999.0710 17.01838 1030.296 25.83026 -31.22516      30.93263 
1 1 1 2   18 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18 16 o 432.9944 8.464176 5506.649       214.9401 5506.649       214.9401 0.000000       0.000000 432.9944 8.464176 ?        ?        0.000000       8.464176 
1 1 1 2   18 17 o 325.4250 6.495838 3108.730       123.9757 3115.235       139.1418 3083.672       273.0757 325.7209 7.283857 323.1182 14.44677 2.602692       16.17911 
1 1 1 2   18 18 o 143.9604 6.860529 609.9061       57.75636 609.9061       57.75636 0.000000       0.000000 143.9604 6.860529 ?        ?        0.000000       6.860529 
1 1 1 2   18 19 o 238.1818 5.921110 1665.396       82.71079 1683.118       89.68001 1564.482       213.9976 239.3387 6.394718 229.5129 15.99849 9.825806       17.22916 
1 1 1 2   18 20 o 240.3549 5.971711 1696.162       84.17873 1708.415       92.54185 1637.413       202.6342 241.1025 6.550712 234.9544 14.78035 6.148087       16.16696 
1 1 1 2   18 21 o 327.0798 6.022834 3141.429       115.5327 3116.250       127.8289 3253.738       269.9745 325.7137 6.691795 331.6000 13.91310 -5.886292      15.43873 
1 1 1 2   18 22 o 497.7076 7.261352 7279.708       211.9543 7418.490       248.2482 6906.429       407.1340 502.2399 8.427996 483.0371 14.38768 19.20279       16.67442 
1 1 1 2   18 23 o 225.9353 6.501066 1500.983       86.05328 1500.983       86.05328 0.000000       0.000000 225.9353 6.501066 ?        ?        0.000000       6.501066 
1 1 1 2   18 24 f 384.5706 6.458383 4345.473       145.6634 4369.010       163.4349 4254.555       321.2065 385.5139 7.228603 378.7430 14.48741 6.770874       16.19067 
1 1 1 2   18 25 o 340.7878 6.344526 3412.354       126.8042 3302.634       136.7648 4084.359       338.4681 335.1966 6.957036 370.6618 15.60494 -35.46518      17.08550 
1 1 1 2   18 26 o 151.6544 8.533444 678.9811       75.59177 631.1389       79.55653 1123.405       242.4759 146.0971 9.333858 192.3028 21.88886 -46.20572      23.79586 
1 1 1 2   18 27 o 42.74596 17.72077 14.56965       72.77673 -5.054137      75.57686 264.7725       269.8631 40.73958 17.52275 99.06461 35.97382 -58.32503      40.01453 
1 1 1 2   18 28 o 317.8889 7.104321 2970.625       132.4489 2872.429       142.2191 3612.543       363.6235 312.5161 7.759519 347.8286 17.88533 -35.31241      19.49603 
1 1 1 2   18 29 o 140.7038 11.71501 588.5997       95.79536 634.3127       101.1458 190.4876       298.4903 146.0686 11.91031 94.52953 37.02473 51.53912       38.89327 
1 1 1 2   18 30 f 171.6584 9.577902 871.2233       96.04185 887.5766       101.1980 722.9004       304.7708 173.2027 10.00504 149.0709 35.39183 24.13179       36.77884 
1 1 1 2   18 31 o 166.7366 10.12004 823.4066       98.49491 844.3854       104.2088 647.6892       301.5933 168.7777 10.58107 140.3452 36.35340 28.43250       37.86197 
1 1 1 2   18 32 o 86.12312 18.81624 231.2292       92.37550 265.5542       96.64203 -131.9718      314.3651 92.50002 18.46167 73.76328 33.48028 18.73675       38.23300 
1 1 1 2   18 33 o 519.2559 7.971459 7945.891       242.7559 7844.035       270.5523 8366.577       549.8417 515.5849 8.947475 527.3570 17.80351 -11.77209      19.92542 
1 1 1 2   18 34 o 221.4081 8.687111 1448.876       112.5838 1451.351       119.0694 1427.995       345.8443 221.4949 9.186065 211.9820 28.54298 9.512939       29.98476 
1 1 1 2   18 35 o 252.5960 8.209064 1885.013       121.4489 1850.827       128.5345 2169.688       370.9099 250.1600 8.774540 263.7682 24.24817 -13.60823      25.78694 
1 1 1 2   18 36 o 161.0445 11.08027 774.3437       104.0140 826.2477       109.6707 309.7720       328.1076 166.3167 11.31087 102.5388 39.17738 63.77795       40.77748 
1 1 1 2   18 37 o 86.69561 19.11058 239.5195       94.54664 272.4330       99.43410 -70.81054      305.3237 92.63856 18.94151 73.07359 33.09879 19.56497       38.13543 
1 1 1 2   18 38 o 70.31172 21.65532 157.8390       98.06821 116.3449       102.3247 625.6907       343.5908 63.15015 22.23981 127.1900 40.72853 -64.03989      46.40498 
1 1 1 2   18 39 o 223.0690 8.564645 1480.820       111.8385 1496.125       117.7125 1338.847       358.5156 224.0596 8.976114 194.3829 32.60169 29.67676       33.81480 
1 1 1 2   18 40 o 75.36063 21.94838 187.6171       102.8821 226.4839       107.0610 -281.3096      371.8727 82.53836 21.79751 68.56851 32.78141 13.96985       39.36689 
1 1 1 2   18 41 o 74.56315 22.26464 185.6946       104.7766 196.9914       109.2244 55.40086       370.9406 76.57944 22.69943 81.02068 36.61137 -4.441231      43.07733 
1 1 1 2   18 42 o 39.44132 18.37875 -76.09942      103.8381 -86.88386      108.2352 48.59914       368.0444 39.62970 18.56355 79.19762 36.05600 -39.56792      40.55416 
1 1 1 2   18 43 o 154.3979 12.40630 731.9210       111.3951 714.5240       117.4156 888.6312       352.4010 152.0362 13.30210 141.9146 40.40456 10.12161       42.53792 
1 1 1 2   18 44 o 49.79211 21.22413 26.61784       109.0612 85.70201       113.3943 -702.4436      398.3252 57.73708 22.75794 57.20936 28.59861 0.5277176      36.54866 
1 1 1 2   18 45 o 55.46459 22.49316 69.97223       114.0244 76.97865       119.2512 -4.739856      389.4126 56.98658 23.04183 74.87219 35.11657 -17.88561      42.00118 
1 1 1 2   18 46 o 41.86995 19.97840 -132.0546      136.7067 -92.63602      146.9772 -384.8979      372.2422 46.05098 21.59093 60.96584 29.96335 -14.91486      36.93197 
1 1 1 2   18 47 o 207.6385 11.87219 1329.681       143.9711 1389.826       152.5206 837.8698       436.1400 211.8921 12.32658 118.1373 45.16114 93.75481       46.81317 
1 1 1 2   19 0  o 809.1999 14.24603 19247.20       676.0831 19586.20       967.5430 18923.75       945.1036 815.3076 20.23477 801.1725 20.13015 14.13507       28.54240 
1 1 1 2   19 1  o 456.3581 9.792438 6113.962       262.0880 6024.057       343.4680 6239.279       405.5060 452.6147 12.95251 460.4149 15.03766 -7.800262      19.84689 
1 1 1 2   19 2  o 730.8450 13.08077 15694.67       560.6725 15886.64       791.2740 15501.11       794.5574 734.3480 18.38722 725.3209 18.69419 9.027100       26.22142 
1 1 1 2   19 3  o 646.7159 11.85245 12285.11       449.5440 12542.04       637.1912 12030.49       634.3210 652.6978 16.65951 639.1972 16.93583 13.50061       23.75630 
1 1 1 2   19 4  o 789.0146 11.40087 18284.28       527.5623 18592.41       652.8897 17704.61       895.5016 795.3163 13.99747 774.9407 19.71970 20.37561       24.18255 
1 1 1 2   19 5  o 215.1036 8.293964 1359.973       104.4349 1395.806       113.1072 1152.813       271.9550 217.8872 8.869864 196.1200 24.15388 21.76724       25.73101 
1 1 1 2   19 6  o 820.7456 11.74164 19787.93       565.1813 19309.11       662.8631 21062.95       1081.677 810.4629 13.94570 844.6738 21.85361 -34.21088      25.92417 
1 1 1 2   19 7  o 132.8680 10.61027 521.7352       81.99299 526.4655       87.62797 488.4639       232.3985 133.4028 11.30664 125.8134 31.55528 7.589394       33.51978 
1 1 1 2   19 8  o 767.5682 11.06964 17305.23       498.3114 17243.73       601.2858 17440.11       890.4311 765.9084 13.38609 768.9062 19.76226 -2.997742      23.86910 
1 1 1 2   19 9  o 936.2087 18.56623 25827.78       1019.405 26494.89       1297.493 24751.81       1647.812 946.8769 23.36474 912.0969 30.84904 34.78003       38.69851 
1 1 1 2   19 10 o 384.1878 9.068130 4333.619       204.3205 4173.216       239.2152 4766.278       392.8768 376.7550 10.83754 401.9673 16.70176 -25.21231      19.90983 
1 1 1 2   19 11 o 473.7462 7.116644 6586.815       197.7295 6358.390       245.8573 7005.139       332.7113 465.3420 9.008662 488.2183 11.61991 -22.87634      14.70301 
1 1 1 2   19 12 o 519.1011 8.702387 7912.583       264.9359 7935.993       300.9745 7832.019       558.3581 519.7664 9.873498 514.8851 18.52081 4.881348       20.98825 
1 1 1 2   19 13 o 663.0375 12.22280 12929.24       475.2908 12271.36       615.8793 13898.02       747.3671 645.0114 16.29392 685.8608 18.59724 -40.84937      24.72547 
1 1 1 2   19 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19 15 o 289.7831 8.598937 2468.900       145.9781 2529.914       206.3340 2407.755       206.5546 292.9816 12.03387 285.7690 12.35368 7.212555       17.24608 
1 1 1 2   19 16 o 81.22451 11.03169 197.6022       51.19381 455.3372       138.5141 156.8260       55.09486 122.4430 19.97716 71.79162 13.58275 50.65141       24.15736 
1 1 1 2   19 17 o 76.97008 21.70164 180.8522       102.1656 68.23383       118.3474 510.2786       202.4107 60.16552 23.38559 128.1282 27.74155 -67.96263      36.28332 
1 1 1 2   19 18 o 344.1548 6.581228 3478.035       132.8346 3531.218       152.6747 3312.372       269.4616 346.7031 7.508596 334.7968 13.75279 11.90637       15.66902 
1 1 1 2   19 19 o 196.8315 6.239796 1138.787       71.93936 1170.969       76.65373 901.0394       208.3478 199.5716 6.558043 172.7412 20.99632 26.83034       21.99667 
1 1 1 2   19 20 o 131.5449 7.473169 510.1385       57.41682 530.2167       60.26504 312.6594       189.0005 134.0957 7.695336 100.6870 29.86342 33.40871       30.83897 
1 1 1 2   19 21 o 173.8536 6.642204 889.2251       67.60002 896.2101       71.60743 832.0065       204.9471 174.5036 7.011132 165.5279 21.62838 8.975708       22.73638 
1 1 1 2   19 22 o 184.7794 6.663944 1004.525       72.09806 989.5936       76.18896 1132.470       223.0256 183.3583 7.098427 193.8256 19.90216 -10.46727      21.13016 
1 1 1 2   19 23 o 99.56851 9.847074 294.8678       56.74939 285.2079       58.83343 424.0171       215.1221 97.82449 10.41470 115.6026 31.06734 -17.77814      32.76653 
1 1 1 2   19 24 o 357.8641 6.388181 3763.010       134.0744 3645.080       146.4976 4371.194       332.6883 352.1289 7.093789 383.7318 14.81069 -31.60291      16.42189 
1 1 1 2   19 25 f 313.6398 6.962463 2891.567       128.0692 2891.567       128.0692 0.000000       0.000000 313.6398 6.962463 ?        ?        0.000000       6.962463 
1 1 1 2   19 26 o 76.63400 16.88581 181.2981       73.84077 171.4689       76.62366 309.2891       276.4991 74.42608 17.79560 104.0026 36.56409 -29.57655      40.66468 
1 1 1 2   19 27 o 456.3841 7.503107 6124.650       200.8270 6095.152       225.8351 6236.146       439.0675 455.1133 8.460996 457.8674 16.37725 -2.754150      18.43374 
1 1 1 2   19 28 o 154.9518 10.53218 711.2498       95.14294 675.9108       99.82171 1061.937       314.4544 150.9081 11.36222 184.0153 30.18309 -33.10716      32.25088 
1 1 1 2   19 29 o 344.6162 7.270341 3492.660       146.9403 3428.993       159.3226 3855.159       380.1639 341.3625 7.958131 358.9188 18.11887 -17.55630      19.78953 
1 1 1 2   19 30 o 247.5066 7.705060 1804.581       111.7079 1806.191       119.3049 1793.136       318.1305 247.5379 8.229438 242.5825 22.62202 4.955383       24.07238 
1 1 1 2   19 31 o 173.5177 10.01644 891.9109       101.4982 931.5189       107.3052 555.3900       312.7773 177.2783 10.36605 129.4874 38.42014 47.79095       39.79399 
1 1 1 2   19 32 o 401.9463 7.431666 4757.569       175.1882 4778.671       193.4578 4661.407       412.9727 402.6548 8.192243 393.5142 17.94132 9.140594       19.72318 
1 1 1 2   19 33 o 138.9427 12.08845 577.0919       97.52518 585.1793       102.3402 497.1624       321.7333 139.8022 12.61759 122.2068 39.43835 17.59535       41.40758 
1 1 1 2   19 34 o 272.9473 7.827876 2198.613       125.1770 2157.775       132.6119 2532.483       379.1728 270.2737 8.376310 286.4123 22.76035 -16.13861      24.25275 
1 1 1 2   19 35 o 56.62523 21.96829 67.82303       104.2864 139.6113       109.4248 -643.1439      344.3608 68.62418 23.04186 57.83342 28.50072 10.79076       36.64994 
1 1 1 2   19 36 o 80.43339 20.70777 207.3028       98.26346 190.2821       103.4400 364.7062       314.5617 77.12092 21.86834 105.5853 38.76122 -28.46437      44.50457 
1 1 1 2   19 37 o 125.8027 13.86002 482.8652       100.5671 478.8446       105.2499 525.0566       340.9481 124.9981 14.63381 118.5027 40.66219 6.495323       43.21530 
1 1 1 2   19 38 o 127.3478 13.73052 496.2669       100.9295 490.8234       105.2709 558.2092       355.1096 126.3551 14.46627 119.1721 41.46946 7.182976       43.92026 
1 1 1 2   19 39 o 133.7656 13.18967 547.0222       102.1286 556.9507       107.2101 449.6702       335.7091 134.7463 13.75943 108.0356 39.97614 26.71070       42.27781 
1 1 1 2   19 40 o 173.2970 11.08175 907.1110       112.0387 891.9521       117.0104 1074.208       388.4868 171.5520 11.69998 161.9759 40.89537 9.576111       42.53611 
1 1 1 2   19 41 o 217.8447 10.60968 1432.371       135.1425 1450.618       144.5935 1306.317       380.0398 218.8113 11.30586 182.3183 36.81216 36.49292       38.50919 
1 1 1 2   19 42 o 76.40565 22.07524 198.7387       104.4544 186.2763       108.8240 344.6417       372.3533 74.03009 22.81400 95.09715 39.80446 -21.06705      45.87891 
1 1 1 2   19 43 o 51.79245 21.50650 44.81501       107.4413 66.36409       112.6254 -173.2319      358.2587 55.25318 22.37391 67.87183 32.37324 -12.61866      39.35249 
1 1 1 2   19 44 o 36.85135 17.70352 -133.9004      111.4012 -106.8523      115.9607 -457.7049      401.2208 39.51690 18.72457 62.35720 30.73653 -22.84030      35.99089 
1 1 1 2   19 45 o 45.35627 20.46561 -26.56456      115.4188 -18.49700      120.7862 -111.3349      391.5329 47.05314 21.10830 70.84616 33.80613 -23.79302      39.85492 
1 1 1 2   19 46 o 117.9225 19.79304 469.8092       132.0409 434.9940       140.2081 742.8000       392.6112 111.5093 22.21984 115.5961 43.14394 -4.086746      48.52959 
1 1 1 2   19 47 o 175.9740 13.97498 975.2651       143.0446 928.4565       150.2802 1426.539       466.6160 170.6405 15.17462 160.7938 46.71722 9.846710       49.11993 
1 1 1 2   20 0  o 447.6408 9.641781 5883.126       253.1264 6092.410       345.7283 5641.319       371.6223 455.1264 12.96568 437.7719 14.49448 17.35446       19.44733 
1 1 1 2   20 1  o 751.3739 13.35295 16593.89       588.4152 16370.15       805.6868 16849.64       861.3929 745.5042 18.42747 755.9070 19.44658 -10.40283      26.79069 
1 1 1 2   20 2  o 552.4150 10.58328 8961.782       342.8753 9083.398       474.7296 8829.157       495.7510 555.5920 14.58194 547.6384 15.45089 7.953613       21.24531 
1 1 1 2   20 3  f 865.2177 15.02494 22018.07       762.4102 22711.34       1113.739 21406.72       1045.880 877.3155 21.64597 851.9164 20.93313 25.39905       30.11219 
1 1 1 2   20 4  o 390.1924 9.618241 4470.164       220.1025 4177.187       274.6627 4995.950       367.9487 376.8257 12.44529 411.8305 15.26055 -35.00482      19.69186 
1 1 1 2   20 5  o 364.7559 7.268471 3904.301       155.4877 4112.823       183.3039 3369.350       293.5975 374.3259 8.349707 338.1325 14.84137 36.19339       17.02892 
1 1 1 2   20 6  o 403.2757 7.378902 4772.686       174.5196 4902.244       204.1266 4420.699       336.4575 408.6598 8.517009 387.3803 14.83699 21.27948       17.10776 
1 1 1 2   20 7  o 286.9482 7.018754 2416.286       118.1175 2489.868       131.7676 2115.315       266.4924 291.1598 7.723430 267.4605 17.07850 23.69934       18.74370 
1 1 1 2   20 8  o 538.4161 8.447977 8510.369       266.7603 8510.944       316.4928 8508.959       495.7202 538.3099 10.02492 537.3917 15.74576 0.9181519      18.66623 
1 1 1 2   20 9  o 377.7329 7.136240 4187.606       158.0901 4233.807       182.4457 4048.389       316.7069 379.7587 8.191725 370.6067 14.59971 9.152069       16.74085 
1 1 1 2   20 10 o 893.0714 11.63528 23445.89       609.4157 23010.50       784.9329 24106.61       966.9427 883.9838 15.14041 903.9421 18.23936 -19.95831      23.70456 
1 1 1 2   20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   20 12 o 535.4091 7.735093 8416.714       242.8856 8292.513       309.8190 8614.771       391.2386 531.2243 9.944424 541.1442 12.32759 -9.919922      15.83859 
1 1 1 2   20 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   20 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   20 15 o 441.7702 9.060471 5735.830       234.7457 5735.830       234.7457 0.000000       0.000000 441.7702 9.060471 ?        ?        0.000000       9.060471 
1 1 1 2   20 16 o 236.9011 8.246442 1651.094       114.3988 1869.118       180.3474 1504.305       147.9805 251.6019 12.25899 225.7897 11.21011 25.81219       16.61172 
1 1 1 2   20 17 o 71.86683 9.320909 154.4142       38.36140 150.4919       39.10717 254.3214       197.3723 70.88223 9.658372 93.53153 30.93477 -22.64930      32.40747 
1 1 1 2   20 18 o 127.6694 7.188321 480.3682       53.60522 474.8469       55.60711 552.9355       201.5957 126.9024 7.505049 133.3777 26.70419 -6.475296      27.73877 
1 1 1 2   20 19 o 193.8646 6.525413 1105.169       74.08627 1152.890       79.29919 777.5880       207.7658 197.9838 6.839767 159.7148 22.82958 38.26894       23.83216 
1 1 1 2   20 20 o 375.9876 6.796684 4153.465       149.8722 4265.509       176.9968 3869.610       281.7206 380.8926 7.923411 361.6821 13.30399 19.21057       15.48472 
1 1 1 2   20 21 o 31.19353 13.60693 -9.262262      46.88698 -4.516457      48.20099 -92.76302      202.1837 32.42495 13.97064 60.13430 27.11457 -27.70935      30.50211 
1 1 1 2   20 22 o 247.0269 6.294660 1793.960       91.11985 1774.997       98.03350 1914.355       247.0170 245.6636 6.810868 253.2854 16.72257 -7.621796      18.05636 
1 1 1 2   20 23 f 220.5042 6.375707 1429.854       82.36440 1385.501       87.76987 1757.024       238.3812 217.0006 6.905375 242.5119 16.86565 -25.51132      18.22455 
1 1 1 2   20 24 o 416.9983 7.731905 5114.316       189.0912 5114.316       189.0912 0.000000       0.000000 416.9983 7.731905 ?        ?        0.000000       7.731905 
1 1 1 2   20 25 o 188.0879 7.507543 1041.931       82.64864 1077.165       87.50997 750.9778       251.4716 191.2116 7.820060 154.6740 28.78070 36.53767       29.82419 
1 1 1 2   20 26 o 356.7482 7.038813 3741.125       147.2691 3640.746       159.0965 4341.939       389.2328 351.8442 7.710093 381.5706 17.43949 -29.72644      19.06781 
1 1 1 2   20 27 o 112.0793 14.67249 378.4886       94.13131 352.0100       98.46305 659.7153       320.8889 107.7288 16.07567 142.3553 37.80367 -34.62654      41.07973 
1 1 1 2   20 28 o 418.3264 7.292770 5146.402       178.9198 5050.228       197.5345 5585.747       422.1986 414.2543 8.130651 432.8889 16.66101 -18.63455      18.53906 
1 1 1 2   20 29 o 229.9710 8.179608 1558.994       110.1448 1591.479       117.0888 1309.238       324.6653 232.2924 8.609584 205.0543 27.70522 27.23808       29.01214 
1 1 1 2   20 30 o 118.7856 13.65005 424.2055       93.36681 444.1058       98.38350 243.8656       296.1682 121.4838 14.06846 97.94391 37.26996 23.53992       39.83681 
1 1 1 2   20 31 o 100.4441 16.30543 308.9543       92.76135 256.6439       97.08393 857.4583       314.3715 90.76945 18.85408 161.5439 34.24633 -70.77440      39.09332 
1 1 1 2   20 32 o 149.3876 11.75008 665.6853       102.1170 667.3467       108.0084 651.6902       313.4781 149.4236 12.43770 138.8042 37.58967 10.61938       39.59393 
1 1 1 2   20 33 o 287.5074 7.827837 2438.773       131.8672 2453.139       142.3468 2351.845       350.1609 288.2134 8.430436 276.7493 21.74863 11.46417       23.32541 
1 1 1 2   20 34 o 140.7742 12.77080 595.2184       104.2905 590.0604       109.4911 645.6788       342.4617 139.9631 13.50631 135.5240 40.19963 4.439087       42.40791 
1 1 1 2   20 35 o 111.7471 15.33153 382.6733       97.83223 411.8051       102.2285 65.65778       337.2322 115.9651 15.41247 85.10133 36.81109 30.86382       39.90740 
1 1 1 2   20 36 o 50.93163 20.60380 42.03349       95.40379 70.46229       99.91585 -251.5758      321.0998 55.81818 21.54417 66.36169 31.35928 -10.54351      38.04675 
1 1 1 2   20 37 o 59.81395 21.95723 97.41526       100.9389 70.25331       105.4087 397.4601       350.3395 56.30558 22.01719 105.9297 40.48047 -49.62416      46.08064 
1 1 1 2   20 38 o 150.8757 11.88794 689.0518       104.3413 708.7881       108.9364 469.8018       363.0857 152.8867 12.25180 110.2059 41.41605 42.68086       43.19022 
1 1 1 2   20 39 o 75.42226 21.88976 188.2688       102.4940 206.1765       107.5879 12.47809       337.0868 78.67498 22.30028 77.44494 34.95700 1.230042       41.46438 
1 1 1 2   20 40 o 138.7065 13.29713 591.6876       106.8465 610.1512       111.3586 377.5992       379.1953 140.6893 13.66828 99.71239 40.79998 40.97688       43.02860 
1 1 1 2   20 41 o 54.40658 21.74124 65.02569       104.8452 56.63862       109.1385 165.3784       377.5179 53.93196 21.95623 85.38599 37.87334 -31.45403      43.77746 
1 1 1 2   20 42 o 50.29724 23.02356 -55.09733      152.7338 50.02880       167.5840 -570.6429      371.1170 60.82645 26.12674 58.12154 28.81355 2.704903       38.89508 
1 1 1 2   20 43 f 92.04484 21.43877 290.8838       113.5685 281.2417       119.1008 387.4993       377.0094 89.78058 22.63014 95.12134 39.94910 -5.340759      45.91355 
1 1 1 2   20 44 o 59.62543 23.07862 100.7672       114.8932 138.8866       119.8321 -333.2825      404.3616 65.47280 23.94196 65.37342 31.94099 0.9938049E-01  39.91798 
1 1 1 2   20 45 o 67.90516 24.39360 156.4402       123.6712 161.4074       130.2224 110.7652       394.8821 68.85007 24.99129 78.71102 36.38764 -9.860954      44.14323 
1 1 1 2   20 46 o 82.45434 27.98290 261.0078       161.3892 220.5830       179.1388 435.2115       371.8727 77.11848 29.06738 94.14754 39.61623 -17.02906      49.13613 
1 1 1 2   21 0  o 229.7657 9.745057 1553.049       131.0186 1506.674       155.3054 1667.528       244.0084 226.1357 11.75058 237.2648 17.66231 -11.12910      21.21399 
1 1 1 2   21 1  o 220.4994 7.977924 1428.952       102.9986 1469.820       115.0941 1264.598       230.8086 223.5809 8.794597 206.2021 19.31035 17.37889       21.21873 
1 1 1 2   21 2  o 228.1531 9.592445 1531.245       128.0667 1659.037       154.0049 1244.775       230.5799 237.3782 11.09292 204.5371 19.45605 32.84109       22.39622 
1 1 1 2   21 3  o 326.9192 8.542733 3139.701       163.6498 3314.601       212.2234 2883.147       257.0324 335.7301 10.79238 312.7707 14.04822 22.95944       17.71519 
1 1 1 2   21 4  o 180.6822 8.214425 960.3108       86.81715 1011.099       95.10173 706.3140       212.6766 185.3687 8.772744 152.5926 24.60129 32.77617       26.11866 
1 1 1 2   21 5  o 648.7728 9.652788 12361.61       367.2789 12435.28       445.4946 12205.28       648.9431 650.4713 11.67788 643.3520 17.21464 7.119263       20.80184 
1 1 1 2   21 6  o 125.8353 10.49126 468.4235       76.72107 443.2356       81.45793 666.2941       228.3117 122.2691 11.49450 147.5052 27.40029 -25.23608      29.71362 
1 1 1 2   21 7  o 621.8404 9.367302 11357.18       341.6205 11227.79       402.6612 11689.54       645.3652 618.0883 11.10807 629.3882 17.50081 -11.29993      20.72843 
1 1 1 2   21 8  o 619.0283 9.310197 11255.44       338.0025 11451.94       413.2900 10858.56       587.3658 624.1648 11.29029 606.7146 16.52259 17.45020       20.01167 
1 1 1 2   21 9  o 278.4580 9.855776 2281.052       160.6999 2281.052       160.6999 0.000000       0.000000 278.4580 9.855776 ?        ?        0.000000       9.855776 
1 1 1 2   21 10 o 266.1768 8.476825 2082.920       132.1600 2053.958       148.0195 2196.764       293.4643 264.2249 9.567803 272.0857 18.50078 -7.860779      20.82839 
1 1 1 2   21 11 o 403.6172 9.265286 4786.515       219.3204 4615.328       257.6719 5236.645       417.8298 396.0087 11.10557 420.8571 16.96309 -24.84833      20.27511 
1 1 1 2   21 12 o 364.0261 8.709682 3893.179       185.9454 3775.422       221.4181 4174.940       342.4996 358.1667 10.55240 375.8760 15.57063 -17.70932      18.80951 
1 1 1 2   21 13 o 245.0381 7.851882 1765.445       112.6930 1757.609       141.0957 1779.252       187.2815 244.3032 9.867988 245.4176 13.05885 -1.114365      16.36798 
1 1 1 2   21 14 o 85.17064 12.20334 217.9342       59.21690 190.2505       94.43071 235.8764       76.02203 78.60963 20.33160 88.15069 15.25710 -9.541061      25.41954 
1 1 1 2   21 15 o 305.5765 7.534405 2743.161       135.0266 2509.618       201.5866 2933.208       181.8482 291.6576 11.80964 315.6308 9.835797 -23.97318      15.36914 
1 1 1 2   21 16 o 222.6242 6.832472 1457.061       89.10178 1435.824       113.0133 1491.948       144.8481 220.8134 8.744062 224.8207 11.01922 -4.007248      14.06705 
1 1 1 2   21 17 o 136.3197 8.712614 548.6841       69.29125 791.8708       150.8718 483.6764       78.00472 162.7895 16.00961 127.7410 10.50488 35.04844       19.14837 
1 1 1 2   21 18 o 242.9256 6.388708 1734.509       90.94099 1786.284       98.84166 1448.933       232.1345 246.4852 6.844147 220.1211 18.14249 26.36409       19.39052 
1 1 1 2   21 19 o 212.4850 6.520654 1327.633       81.16255 1405.051       87.11011 818.0681       223.4849 218.5719 6.803823 163.3994 24.03880 55.17245       24.98311 
1 1 1 2   21 20 o 103.8984 8.974347 320.0679       54.14872 326.9435       56.08552 225.6438       207.8443 104.9873 9.201783 90.20479 31.70225 14.78255       33.01068 
1 1 1 2   21 21 o 470.6620 7.711257 6514.536       212.8555 6446.278       246.6648 6713.592       421.2318 467.9498 8.987884 475.6345 15.11992 -7.684723      17.58960 
1 1 1 2   21 22 o 315.7750 6.860026 2930.854       127.0440 3054.542       145.0080 2522.367       263.5224 322.2747 7.672119 291.1543 15.48850 31.12042       17.28453 
1 1 1 2   21 23 o 139.5024 8.621926 574.9565       70.19549 574.9565       70.19549 0.000000       0.000000 139.5024 8.621926 ?        ?        0.000000       8.621926 
1 1 1 2   21 24 o 267.6405 6.678379 2105.163       104.8271 2066.873       111.4864 2397.257       307.9212 265.0535 7.178567 282.9012 18.66324 -17.84772      19.99621 
1 1 1 2   21 25 o 236.9766 7.555702 1653.064       104.8758 1708.839       111.6907 1237.407       304.9070 240.9007 7.916233 200.3967 26.59966 40.50406       27.75263 
1 1 1 2   21 26 o 49.23942 19.37505 42.47142       82.06354 29.45295       85.75977 183.8066       282.5717 48.06534 19.50176 92.50150 36.08394 -44.43615      41.01670 
1 1 1 2   21 27 o 110.6947 14.33384 369.1244       90.87231 396.6403       95.21510 87.95948       304.3649 114.7828 14.46472 86.95937 36.16099 27.82346       38.94670 
1 1 1 2   21 28 o 121.7799 18.39637 452.8883       127.2963 332.7024       137.7895 1153.036       332.5707 102.9251 23.36311 191.0196 30.72831 -88.09446      38.60135 
1 1 1 2   21 29 o 268.7445 7.355112 2126.957       115.8166 2112.811       123.9692 2224.022       324.7325 267.7603 7.903009 270.9415 20.59037 -3.181152      22.05495 
1 1 1 2   21 30 o 48.54212 20.23846 18.32686       95.69969 -21.25984      100.5060 402.7844       313.2142 45.03633 19.77626 113.3372 38.97039 -68.30089      43.70117 
1 1 1 2   21 31 o 315.6555 7.289465 2934.223       134.9459 2939.401       145.6387 2902.799       358.8047 315.8244 7.862861 309.1845 19.89301 6.639832       21.39057 
1 1 1 2   21 32 o 284.9624 7.590878 2394.695       126.7486 2427.033       136.0286 2181.647       349.1448 286.7705 8.096176 266.1456 22.58141 20.62491       23.98892 
1 1 1 2   21 33 o 211.4794 9.623121 1325.913       119.0405 1372.599       126.7597 977.2369       346.4171 215.0653 10.07790 169.8209 35.90648 45.24440       37.29395 
1 1 1 2   21 34 o 104.7870 16.88398 339.7289       100.2354 302.5111       105.2887 699.7757       327.4811 98.11640 18.98384 140.6002 38.56278 -42.48377      42.98226 
1 1 1 2   21 35 o 151.4057 11.22366 687.2801       98.95277 675.1022       103.3549 821.1702       342.7045 149.8616 11.85607 150.0031 38.69959 -0.1414337     40.47499 
1 1 1 2   21 36 o 41.84523 18.70960 -30.03214      94.04320 0.2574920      97.73338 -408.5673      345.5007 45.95840 19.84808 63.03546 30.50376 -17.07706      36.39266 
1 1 1 2   21 37 o 336.4817 7.624269 3354.992       150.4562 3225.307       159.7653 4371.548       447.3042 329.5100 8.273837 371.6436 20.60292 -42.13361      22.20218 
1 1 1 2   21 38 o 195.1599 10.14534 1142.465       115.7215 1139.690       121.9585 1167.527       366.5557 194.6676 10.72381 175.8587 36.72752 18.80894       38.26109 
1 1 1 2   21 39 o 124.5472 15.43598 484.6367       110.3390 508.6355       117.0287 292.5435       331.0960 127.3377 16.02463 93.40797 38.16118 33.92972       41.38918 
1 1 1 2   21 40 o 216.8768 9.661083 1413.424       122.5739 1402.098       128.9184 1520.078       395.5964 215.6951 10.22024 198.7230 35.23317 16.97209       36.68555 
1 1 1 2   21 41 o 36.34051 17.41839 -128.2238      106.4694 -131.4001      111.4250 -94.87959      361.0226 37.27094 17.85231 71.78510 33.71414 -34.51415      38.14903 
1 1 1 2   21 42 o 69.86725 23.17230 165.2593       110.7250 177.1601       116.5340 54.73727       355.1317 71.93909 23.76912 76.70753 35.11085 -4.768448      42.39979 
1 1 1 2   21 43 f 139.9616 18.14475 639.6832       145.4377 629.8281       157.0277 699.1476       385.7217 137.3582 20.08644 116.2210 42.87814 21.13728       47.34976 
1 1 1 2   21 44 o 154.7913 13.69360 749.7426       123.0315 799.6508       130.3454 342.0895       372.5246 159.6186 14.06773 90.27679 38.86719 69.34183       41.33473 
1 1 1 2   21 45 o 43.15351 20.15422 -77.70407      126.0169 -91.02210      131.7924 64.33521       430.4023 43.33601 20.35829 77.75945 36.61084 -34.42344      41.89050 
1 1 1 2   21 46 o 217.1145 11.75544 1453.593       149.1267 1391.484       158.0456 1957.753       450.2892 211.4530 12.80436 210.9402 37.78613 0.5127563      39.89666 
1 1 1 2   22 0  o 196.4034 10.94067 1137.117       125.5231 1093.807       147.3672 1251.592       239.5872 192.3866 13.13985 204.8602 20.20411 -12.47357      24.10107 
1 1 1 2   22 1  o 403.0447 9.258690 4771.026       218.8534 4941.213       292.7823 4555.521       329.4659 409.7529 12.19708 393.1493 14.31291 16.60367       18.80500 
1 1 1 2   22 2  o 673.8693 12.21565 13352.99       482.7728 13329.67       664.9345 13378.98       702.0654 672.2250 16.87941 673.2469 17.79646 -1.021851      24.52812 
1 1 1 2   22 3  o 62.91212 18.73149 118.2334       74.24454 104.5669       84.39722 165.0056       156.1326 61.04526 20.23013 78.78198 27.49228 -17.73672      34.13332 
1 1 1 2   22 4  o 285.7458 6.831492 2396.479       114.4843 2264.002       123.6469 3192.261       303.0480 277.6020 7.601849 328.7789 15.76246 -51.17691      17.49981 
1 1 1 2   22 5  o 133.3056 9.888880 524.9688       76.76128 533.2938       81.38091 457.8235       231.1201 134.3109 10.41272 121.5260 31.99478 12.78481       33.64656 
1 1 1 2   22 6  f 780.7592 11.22644 17922.10       514.0549 17850.80       619.3414 18079.97       921.6425 778.7386 13.56088 781.6868 20.12057 -2.948181      24.26386 
1 1 1 2   22 7  o 177.7859 8.029883 930.0419       83.50925 886.6495       88.52410 1280.803       251.6872 173.5251 8.726597 206.9700 21.02651 -33.44492      22.76549 
1 1 1 2   22 8  o 305.4449 6.912459 2738.784       123.8272 2808.663       139.0927 2471.826       271.8644 309.2783 7.668395 289.0437 16.10120 20.23459       17.83404 
1 1 1 2   22 9  o 118.0071 12.86203 414.7725       87.57697 414.7725       87.57697 0.000000       0.000000 118.0071 12.86203 ?        ?        0.000000       12.86203 
1 1 1 2   22 10 o 412.3753 7.601655 4993.981       183.8448 5031.242       204.4138 4836.288       420.5274 413.8413 8.422206 404.0990 17.78777 9.742340       19.68091 
1 1 1 2   22 11 o 433.4231 7.763487 5517.744       197.3420 5553.162       221.1127 5379.074       437.5098 434.7231 8.672623 426.1502 17.54301 8.572876       19.56966 
1 1 1 2   22 12 o 407.6597 9.322678 4885.692       222.8892 4881.623       271.5820 4894.087       390.1101 407.0773 11.38677 406.6037 16.39293 0.4735718      19.95962 
1 1 1 2   22 13 o 383.2249 7.124883 4313.477       160.1334 4243.490       179.2631 4589.896       356.2581 380.0193 8.043310 393.8451 15.45371 -13.82574      17.42159 
1 1 1 2   22 14 o 149.6336 8.645345 660.4227       75.54554 526.4520       99.00522 847.1394       116.8813 133.0052 12.85218 169.1527 11.85700 -36.14757      17.48619 
1 1 1 2   22 15 o 542.4567 11.70056 8672.048       372.2393 9084.534       487.8796 8097.421       575.8389 554.1133 15.02674 521.7795 18.84853 32.33380       24.10539 
1 1 1 2   22 16 o 306.9465 6.096295 2766.773       109.7436 2658.172       141.2834 2931.973       174.2530 300.5972 8.021287 315.5212 9.427326 -14.92395      12.37803 
1 1 1 2   22 17 o 431.2030 6.846138 5462.940       173.1323 5200.860       216.9556 5922.479       287.2863 420.4673 8.798084 448.3016 10.92683 -27.83429      14.02861 
1 1 1 2   22 18 o 196.4069 10.79081 1140.417       123.8196 1088.592       147.2826 1265.331       228.6561 191.4897 13.19528 205.1930 19.22457 -13.70325      23.31736 
1 1 1 2   22 19 f 172.9455 6.659286 880.2074       67.41790 867.7855       70.53733 1011.405       229.2385 171.6849 7.020264 182.4641 21.85635 -10.77917      22.95613 
1 1 1 2   22 20 o 144.6481 7.366895 616.7524       62.28954 627.7162       64.78867 482.8052       226.4563 145.9075 7.597482 123.0877 31.30336 22.81972       32.21214 
1 1 1 2   22 21 o 473.4108 7.912378 6592.582       219.6826 6707.873       259.1158 6297.885       414.2690 477.2575 9.257433 460.4749 15.36152 16.78259       17.93534 
1 1 1 2   22 22 o 358.5704 7.275150 3780.263       152.9914 3884.491       173.5777 3417.383       323.8801 363.3579 8.145330 338.7341 16.35157 24.62378       18.26801 
1 1 1 2   22 23 o 38.44822 16.29968 2.533419       63.72227 -27.72880      65.56236 519.0638       270.8646 34.92064 15.61702 127.1176 35.15263 -92.19699      38.46555 
1 1 1 2   22 24 o 296.8327 7.023111 2590.013       122.2621 2560.835       130.5049 2799.354       349.5589 295.0045 7.549264 305.4866 19.61456 -10.48206      21.01719 
1 1 1 2   22 25 o 123.9293 11.89234 457.6741       85.37593 416.6231       88.60033 991.0788       319.3757 117.9924 13.01980 176.9862 31.94407 -58.99377      34.49548 
1 1 1 2   22 26 o 251.2436 7.424067 1858.125       109.2725 1778.354       114.9620 2604.725       351.7037 245.7118 7.988316 294.0493 20.52301 -48.33746      22.02288 
1 1 1 2   22 27 o 77.90570 18.81550 188.7874       84.99129 163.6120       88.14936 521.3732       320.3933 72.70120 20.03380 126.8309 39.15590 -54.12966      43.98337 
1 1 1 2   22 28 o 47.78432 19.22590 33.20700       82.57483 23.09263       85.72005 163.4973       307.6587 47.01706 19.33606 92.34972 37.12663 -45.33266      41.86012 
1 1 1 2   22 29 o 236.3903 7.942353 1648.018       109.9543 1654.698       116.0113 1589.007       344.7973 236.7956 8.366794 225.7307 26.55213 11.06490       27.83916 
1 1 1 2   22 30 o 239.5556 8.230758 1693.814       115.4652 1698.638       122.4289 1654.991       347.3145 239.8017 8.719767 230.1475 26.19734 9.654205       27.61042 
1 1 1 2   22 31 o 65.80444 21.48958 128.4129       95.36517 138.2393       100.6996 42.96801       296.9431 68.02735 22.07310 81.29933 34.84668 -13.27198      41.24940 
1 1 1 2   22 32 o 329.5381 7.559340 3201.673       146.0966 3236.350       157.6398 2990.565       388.9495 331.1817 8.116132 312.0246 21.38392 19.15710       22.87233 
1 1 1 2   22 33 f 238.7637 8.419545 1686.557       117.7138 1709.864       124.3899 1486.747       364.2063 240.3015 8.841364 213.6344 29.88521 26.66710       31.16562 
1 1 1 2   22 34 o 67.94582 21.83813 142.3201       98.71556 156.3419       103.3526 -3.508013      333.3024 70.75483 22.30036 80.02406 35.53567 -9.269226      41.95342 
1 1 1 2   22 35 o 55.69871 21.64070 69.21341       101.3140 68.38448       106.0304 77.91397       343.5141 56.30980 22.06343 84.20930 36.77978 -27.89950      42.88995 
1 1 1 2   22 36 o 66.46104 22.00483 137.6366       99.86070 143.9485       104.2172 66.83820       349.0347 67.82973 22.48048 82.81351 36.58972 -14.98378      42.94391 
1 1 1 2   22 37 o 39.03864 18.15510 -76.16905      100.5383 -112.4860      104.8262 340.7062       355.1553 37.40268 17.74617 99.50594 39.92903 -62.10326      43.69501 
1 1 1 2   22 38 o 103.5394 18.46893 345.0103       108.0356 389.8417       113.1866 -114.1814      362.2437 110.3795 18.11228 73.39458 34.24240 36.98488       38.73754 
1 1 1 2   22 39 o 155.2694 12.56193 737.7811       113.4153 794.3829       120.9373 324.7601       326.6866 160.9573 12.91990 94.35913 38.14300 66.59819       40.27173 
1 1 1 2   22 40 o 144.5338 13.37465 645.2142       112.0855 610.4279       117.3309 1008.378       379.1049 139.9382 14.50654 151.5786 41.45780 -11.64038      43.92253 
1 1 1 2   22 41 o 129.4149 15.10616 527.7305       112.5001 559.8749       118.1967 218.1692       366.7975 133.1496 15.42091 86.08489 37.79137 47.06474       40.81656 
1 1 1 2   22 42 o 88.74511 21.80136 272.5013       112.6372 329.1437       118.3663 -270.4999      366.4864 98.14999 21.18487 64.75430 31.35494 33.39569       37.84087 
1 1 1 2   22 43 o 83.44982 23.00330 246.9783       116.1963 260.6849       122.0183 113.5424       380.7124 85.41156 23.58364 79.06207 36.25013 6.349495       43.24651 
1 1 1 2   22 44 o 148.8372 14.92075 703.6240       128.4880 710.8342       136.1012 644.5305       389.6326 148.9057 15.82692 108.7589 42.38728 40.14676       45.24570 
1 1 1 2   22 45 o 54.63568 23.47814 42.34664       135.4429 92.55463       140.9295 -565.0706      490.1838 60.51112 24.82919 64.72132 32.25536 -4.210197      40.70499 
1 1 1 2   23 0  o 423.9427 9.534857 5280.850       237.0674 5628.770       325.2694 4886.623       346.2403 437.1649 12.70012 407.0191 14.52812 30.14587       19.29662 
1 1 1 2   23 1  o 187.8122 8.877488 1038.455       97.50648 1046.175       107.6043 1003.014       230.5443 188.4323 9.770339 182.7058 21.95484 5.726532       24.03070 
1 1 1 2   23 2  o 181.5435 8.508165 970.1313       90.33528 896.3090       97.34585 1427.988       242.4309 174.3936 9.554296 218.9800 19.06692 -44.58643      21.32679 
1 1 1 2   23 3  o 138.6878 9.478782 567.7936       76.63421 589.1753       89.56206 509.3495       148.0720 141.1391 10.90448 129.7175 20.11452 11.42155       22.88016 
1 1 1 2   23 4  o 409.6184 7.277291 4926.202       174.8235 4742.169       195.8283 5648.656       388.0007 401.8194 8.309865 437.4772 15.14545 -35.65775      17.27537 
1 1 1 2   23 5  o 128.6374 9.985328 489.2982       74.74259 484.4359       78.92895 531.5209       232.5893 127.9231 10.61604 130.6162 30.85695 -2.693130      32.63206 
1 1 1 2   23 6  o 175.4858 12.04666 910.4936       123.2301 852.9987       144.7349 1062.006       234.9542 169.4756 14.70729 188.0118 21.70632 -18.53627      26.21963 
1 1 1 2   23 7  o 289.1284 6.755396 2454.225       114.5492 2512.257       127.3227 2207.761       262.3923 292.3966 7.430789 272.9471 16.46823 19.44949       18.06708 
1 1 1 2   23 8  o 302.2637 6.632464 2682.324       117.5740 2684.815       131.0206 2672.025       266.4397 302.3605 7.388633 300.5505 15.16480 1.809998       16.86899 
1 1 1 2   23 9  o 237.8237 6.819817 1662.131       95.02322 1630.235       102.3876 1860.228       255.1660 235.4819 7.423048 250.1764 17.50145 -14.69450      19.01058 
1 1 1 2   23 10 o 59.96231 19.05874 104.6977       75.34796 112.2475       80.13902 47.16024       221.2347 62.00254 19.64913 74.26746 30.85196 -12.26492      36.57774 
1 1 1 2   23 11 o 37.82761 16.89361 -31.75864      76.43719 39.28722       84.51566 -351.0009      179.1546 49.43608 19.59664 42.81918 20.99221 6.616905       28.71761 
1 1 1 2   23 12 o 244.3102 8.302443 1756.432       118.7863 1741.355       135.7636 1805.662       245.3181 243.1212 9.540121 246.3363 17.08640 -3.215164      19.56934 
1 1 1 2   23 13 o 314.3015 6.749275 2901.590       124.4097 2888.871       140.2874 2948.432       269.2179 313.5396 7.629145 315.5382 14.58741 -1.998657      16.46197 
1 1 1 2   23 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   23 15 f 393.0787 8.957271 4545.675       206.4932 4337.133       249.0638 5004.186       369.3091 383.4662 11.08636 410.8523 15.35389 -27.38611      18.93804 
1 1 1 2   23 16 o 298.0828 6.119649 2609.747       106.9828 2540.597       135.4784 2724.297       174.3709 293.8474 7.868440 304.0149 9.792544 -10.16748      12.56210 
1 1 1 2   23 17 o 158.0700 9.793407 738.7192       90.34322 753.0037       98.81989 666.0095       222.9508 159.4825 10.62588 146.1504 27.00563 13.33214       29.02091 
1 1 1 2   23 18 o 495.5114 7.395595 7218.855       214.9202 7006.208       274.7172 7554.331       345.0533 487.7198 9.604283 505.9184 11.62934 -18.19855      15.08257 
1 1 1 2   23 19 o 88.71082 8.725406 233.8516       44.80865 215.5079       45.62154 734.8834       238.4293 85.04515 9.298152 153.3592 27.52057 -68.31403      29.04888 
1 1 1 2   23 20 o 331.8188 6.847061 3236.284       133.2465 3199.460       146.4416 3413.438       321.2005 329.8392 7.570276 338.5723 16.22332 -8.733124      17.90266 
1 1 1 2   23 21 o 146.2902 7.817265 631.2575       66.82527 635.2608       69.05664 572.2966       265.0208 146.7281 8.055849 133.4189 33.82794 13.30920       34.77393 
1 1 1 2   23 22 o 160.7319 8.484286 762.3777       79.69428 762.3777       79.69428 0.000000       0.000000 160.7319 8.484286 ?        ?        0.000000       8.484286 
1 1 1 2   23 23 o 246.7392 7.476762 1791.817       108.0689 1745.493       113.8296 2215.052       344.0656 243.4630 7.982877 270.8393 21.84625 -27.37631      23.25908 
1 1 1 2   23 24 o 182.6890 8.499865 984.4037       90.82030 985.2818       94.72365 974.4039       319.6680 182.7241 8.865639 175.3046 32.28161 7.419525       33.47689 
1 1 1 2   23 25 o 68.20810 18.82197 143.3357       77.74664 87.06007       79.91241 1139.544       336.2243 56.68256 19.67529 190.0626 31.24854 -133.3800      36.92680 
1 1 1 2   23 26 o 460.1980 7.676635 6231.978       207.1887 6310.328       232.7597 5933.011       454.6729 462.8823 8.574065 445.4851 17.43632 17.39719       19.43039 
1 1 1 2   23 27 o 150.0544 10.61340 668.3348       92.79875 668.3701       96.77378 667.9307       327.1463 149.9772 11.08051 141.7610 38.40466 8.216202       39.97118 
1 1 1 2   23 28 o 96.00742 16.16483 282.5152       87.78775 281.6195       91.04463 294.3665       331.1799 95.69022 16.83776 104.3717 39.48172 -8.681526      42.92221 
1 1 1 2   23 29 o 103.9380 14.93151 328.5505       88.40885 340.7846       91.87279 175.4273       325.0289 105.8143 15.24362 93.92110 38.01719 11.89316       40.95943 
1 1 1 2   23 30 o 263.9739 7.680046 2055.266       118.7718 2160.568       126.5825 1280.129       343.4349 270.5943 7.985093 199.6094 30.28649 70.98488       31.32145 
1 1 1 2   23 31 o 252.6007 8.304428 1885.086       122.8582 1871.660       129.8188 2000.314       380.3070 251.5807 8.812129 252.2186 26.08634 -0.6378632     27.53454 
1 1 1 2   23 32 o 180.4236 9.967155 967.4655       105.0569 984.0021       110.8231 820.8461       329.9913 181.8479 10.43515 153.8764 37.01883 27.97147       38.46149 
1 1 1 2   23 33 f 42.30375 18.74490 -24.00744      92.24516 -21.49354      96.72871 -49.25455      306.5401 43.65614 19.27656 74.85958 33.60118 -31.20344      38.73791 
1 1 1 2   23 34 o 120.1486 14.14452 441.3487       97.76094 426.8929       101.7495 614.9658       352.6206 117.8192 15.06989 127.1325 41.30912 -9.313255      43.97209 
1 1 1 2   23 35 o 169.5630 11.02772 864.1098       109.0699 921.9019       114.5514 303.2274       356.8633 175.0915 11.21435 98.56701 39.85793 76.52445       41.40551 
1 1 1 2   23 36 o 181.3188 10.80307 988.7183       114.3581 969.8488       120.4216 1162.062       364.9884 179.2716 11.51449 176.3378 36.49612 2.933807       38.26945 
1 1 1 2   23 37 o 128.5277 14.44623 510.6535       107.0103 500.7272       112.4577 605.7319       348.0463 126.8057 15.43955 120.7696 41.09208 6.036057       43.89691 
1 1 1 2   23 38 o 88.92892 21.29087 264.8601       109.5678 264.3387       116.2741 268.9927       327.3564 88.35126 22.40964 90.86343 37.61818 -2.512169      43.78721 
1 1 1 2   23 39 o 80.92493 22.33853 223.5096       109.4915 260.1982       115.5665 -98.19323      342.2108 87.22868 22.45700 70.62829 33.05961 16.60039       39.96566 
1 1 1 2   23 40 o 72.37408 22.88258 178.1480       108.7408 161.4365       112.9779 388.4884       400.8184 69.55372 23.41339 97.22004 41.03118 -27.66632      47.24134 
1 1 1 2   23 41 o 69.37720 25.74867 156.2849       139.4641 88.22418       148.9953 637.7803       396.2965 61.94275 25.48535 112.1856 43.00819 -50.24289      49.99207 
1 1 1 2   23 42 o 173.6554 11.90195 927.3726       120.4822 930.5377       126.5830 896.8912       392.8262 173.5256 12.52253 131.8600 43.64310 41.66563       45.40413 
1 1 1 2   23 43 o 192.0661 11.44344 1131.796       128.3170 1090.703       134.3756 1556.914       432.2087 187.9265 12.25912 184.0264 41.08702 3.900085       42.87690 
1 1 1 2   23 44 o 110.1857 21.39292 420.8382       133.2582 403.4468       137.6718 679.1096       530.5377 106.8111 22.67915 103.0866 45.34613 3.724510       50.70124 
1 1 1 2   23 45 o 44.71859 20.98134 -87.57362      139.2226 -48.10067      144.1486 -635.6890      537.1511 48.19649 22.17436 65.74595 32.91695 -17.54946      39.68914 
1 1 1 2   24 0  o 387.4836 9.245813 4412.748       210.1111 4642.891       278.6053 4109.228       319.9506 396.9769 11.98039 373.0013 14.65440 23.97559       18.92831 
1 1 1 2   24 1  o 125.7164 10.87305 468.3460       79.37937 433.2442       91.33578 576.7067       160.4767 120.5723 13.12819 138.0360 20.43988 -17.46371      24.29276 
1 1 1 2   24 2  o 285.4528 8.811499 2396.647       147.3378 2425.957       180.8324 2338.763       254.1286 286.9821 10.76319 281.0920 15.47510 5.890106       18.85007 
1 1 1 2   24 3  o 46.97740 17.92109 45.11198       68.58676 6.713787       78.40106 170.3253       141.5767 43.23351 18.19106 77.89341 26.20972 -34.65990      31.90398 
1 1 1 2   24 4  o 231.1483 8.523120 1572.060       115.3441 1668.736       169.0792 1487.904       157.7518 237.7536 12.16632 224.4850 12.02609 13.26862       17.10690 
1 1 1 2   24 5  o 171.0799 8.029488 861.7316       80.33853 896.0464       86.31068 639.1979       219.7968 174.4221 8.462732 143.9249 27.03201 30.49721       28.32573 
1 1 1 2   24 6  o 361.7679 7.812024 3844.753       165.7464 3844.753       165.7464 0.000000       0.000000 361.7679 7.812024 ?        ?        0.000000       7.812024 
1 1 1 2   24 7  o 417.7403 7.356908 5125.774       180.2404 5241.814       211.9631 4822.783       342.5091 422.3177 8.557963 403.9827 14.47977 18.33502       16.81971 
1 1 1 2   24 8  o 424.8333 7.495429 5302.086       186.7522 5274.995       212.8739 5392.599       389.0986 423.6287 8.568142 426.8853 15.56775 -3.256622      17.76986 
1 1 1 2   24 9  o 420.7277 11.63297 5218.399       286.7644 5218.399       286.7644 0.000000       0.000000 420.7277 11.63297 ?        ?        0.000000       11.63297 
1 1 1 2   24 10 o 322.6689 10.18845 3067.337       192.5623 3067.337       192.5623 0.000000       0.000000 322.6689 10.18845 ?        ?        0.000000       10.18845 
1 1 1 2   24 11 o 268.7693 7.490124 2124.323       117.9493 2124.323       117.9493 0.000000       0.000000 268.7693 7.490124 ?        ?        0.000000       7.490124 
1 1 1 2   24 12 f 58.42241 19.64759 95.35096       79.55882 36.61692       87.28433 383.7749       193.4225 49.56855 19.82727 110.5942 29.34133 -61.02562      35.41235 
1 1 1 2   24 13 o 596.5928 8.343031 10466.74       291.9123 10615.74       386.9499 10269.94       444.7014 600.1974 10.99284 589.8076 12.85605 10.38977       16.91510 
1 1 1 2   24 14 o 384.8051 9.089468 4357.577       205.1303 4470.799       258.9652 4166.891       336.0745 389.2225 11.35684 374.7664 15.32291 14.45612       19.07274 
1 1 1 2   24 15 o 252.3086 7.059645 1872.449       104.3610 1867.479       113.3039 1900.258       268.0091 251.9031 7.678358 252.0214 18.25643 -0.1183319     19.80541 
1 1 1 2   24 16 o 26.37029 12.99645 -154.0132      71.65208 -129.0657      75.78479 -364.2183      219.9836 29.13560 14.14320 49.54531 24.06122 -20.40971      27.91008 
1 1 1 2   24 17 o 254.5517 9.962630 1912.214       148.4435 1867.066       181.4634 2003.539       258.0869 251.0935 12.36061 259.0021 17.08618 -7.908661      21.08844 
1 1 1 2   24 18 o 209.2813 8.356832 1290.882       102.3643 1265.225       111.8855 1422.674       253.5800 207.0710 9.236308 217.1883 20.13733 -10.11726      22.15449 
1 1 1 2   24 19 o 229.5805 5.789840 1549.178       77.89426 1570.755       81.42851 1316.678       267.2973 231.1539 6.011648 208.2206 22.23228 22.93327       23.03072 
1 1 1 2   24 20 o 418.9325 7.558461 5161.233       185.7069 5208.894       211.5526 5001.146       387.7169 420.6897 8.574444 409.9904 16.15629 10.69928       18.29062 
1 1 1 2   24 21 o 138.3686 8.357325 565.4111       67.50345 549.5591       69.75257 799.3976       267.9871 136.3590 8.768677 159.3597 29.76815 -23.00073      31.03276 
1 1 1 2   24 22 o 296.3274 7.228864 2581.638       125.6297 2536.825       133.9282 2910.005       362.5330 293.5811 7.785329 311.3381 19.95990 -17.75702      21.42450 
1 1 1 2   24 23 o 147.8090 9.178704 645.8823       79.17433 588.6623       81.64550 1548.442       324.2621 140.9812 9.938310 224.9473 25.00086 -83.96611      26.90378 
1 1 1 2   24 24 o 413.8497 7.779979 5039.072       188.8302 4813.104       205.2393 6285.117       481.9516 404.3044 8.655688 458.5788 17.95474 -54.27432      19.93222 
1 1 1 2   24 25 o 293.0311 7.637497 2528.465       131.1429 2488.304       140.0714 2813.694       373.2913 290.5960 8.227099 305.0909 20.99050 -14.49490      22.54521 
1 1 1 2   24 26 o 101.4807 15.03515 312.7601       86.78013 312.7601       86.78013 0.000000       0.000000 101.4807 15.03515 ?        ?        0.000000       15.03515 
1 1 1 2   24 27 o 66.59222 19.98997 135.5211       84.29234 102.6014       87.13824 614.9492       332.5389 60.33406 20.56041 135.2510 39.47921 -74.91690      44.51223 
1 1 1 2   24 28 o 194.0316 8.964637 1113.336       101.7374 1112.909       106.1259 1118.185       357.4799 193.9213 9.359003 184.6374 34.27425 9.283890       35.52908 
1 1 1 2   24 29 o 45.67950 19.16687 12.96546       86.66056 -0.9807265     89.73357 206.1846       334.0045 44.64071 19.14536 96.60446 38.73655 -51.96375      43.20955 
1 1 1 2   24 30 o 200.3327 8.938880 1187.865       104.7588 1163.020       109.2604 1470.869       368.7571 198.1186 9.430524 213.5094 30.29903 -15.39087      31.73273 
1 1 1 2   24 31 o 254.3580 8.305691 1912.897       123.7340 1974.063       131.5973 1446.475       363.3974 258.2944 8.699647 210.6954 30.27721 47.59895       31.50228 
1 1 1 2   24 32 o 120.9320 14.15388 444.8718       98.48779 480.6974       102.4128 4.172504       359.1932 125.7729 14.12806 83.37520 36.96414 42.39771       39.57208 
1 1 1 2   24 33 o 42.20855 18.72022 -23.36954      92.21494 -24.29394      95.46103 -10.46637      356.6501 42.89438 19.03441 81.04434 36.32084 -38.14996      41.00624 
1 1 1 2   24 34 o 231.2317 8.575288 1589.444       116.0897 1526.465       121.2679 2279.997       401.5552 226.3842 9.152626 262.9456 26.39590 -36.56148      27.93768 
1 1 1 2   24 35 o 91.40657 19.95854 271.8435       103.9871 268.9980       109.5255 297.8638       331.2013 90.49955 21.03633 96.06910 38.55586 -5.569550      43.92131 
1 1 1 2   24 36 o 71.96655 22.98000 168.8923       109.4404 189.0735       115.9817 4.970769       330.5478 75.59208 23.59495 76.58945 34.58934 -0.9973679     41.87056 
1 1 1 2   24 37 o 162.9690 12.51753 810.3738       118.7235 805.1062       124.7669 860.8314       386.1472 162.0635 13.24230 140.1399 42.93626 21.92357       44.93196 
1 1 1 2   24 38 o 80.02332 22.40291 218.2332       109.2809 202.4474       114.0949 393.5462       380.2239 77.02918 23.28660 99.23535 40.75799 -22.20617      46.94124 
1 1 1 2   24 39 o 208.4839 10.07765 1311.738       122.8554 1384.827       129.4143 645.0090       390.8666 214.0676 10.33872 115.9386 43.09151 98.12899       44.31441 
1 1 1 2   24 40 o 108.7773 17.78617 385.4493       109.5498 385.0001       114.0518 390.8052       393.7944 108.1988 18.64642 95.91994 40.58548 12.27881       44.66397 
1 1 1 2   24 41 o 67.77259 23.34989 154.9240       112.4636 169.6411       117.7133 0.8795076      380.8360 70.27901 23.89774 74.80035 34.96785 -4.521347      42.35389 
1 1 1 2   24 42 o 59.34436 23.03223 99.86977       114.6666 125.2109       120.2010 -156.4659      382.2959 63.35171 23.82504 68.61818 32.92022 -5.266472      40.63709 
1 1 1 2   24 43 o 111.5601 20.28220 424.3799       127.8144 423.3582       133.6529 435.3136       437.2164 110.5799 21.38225 93.59884 41.16918 16.98106       46.39075 
1 1 1 2   24 44 o 87.98400 25.56665 290.1241       139.7414 285.8947       145.6902 338.7656       494.0719 86.82346 26.32819 88.73171 40.90651 -1.908257      48.64685 
1 1 1 2   25 0  o 315.9419 8.881297 2936.738       164.4005 2949.611       203.4343 2912.507       279.1132 316.3597 10.98124 313.6380 15.21947 2.721771       18.76752 
1 1 1 2   25 1  f 352.3374 8.928512 3651.911       184.3479 3705.036       233.0216 3563.040       301.3887 354.5677 11.22002 347.0472 14.84199 7.520477       18.60574 
1 1 1 2   25 2  o 312.1179 9.278774 2867.103       169.6592 2742.508       207.0820 3121.477       295.8898 304.9390 11.60036 324.6286 15.58703 -19.68954      19.42998 
1 1 1 2   25 3  o 213.1874 7.122247 1336.428       88.92398 1348.048       105.9333 1308.704       163.6248 213.9925 8.457458 210.2300 13.33981 3.762482       15.79491 
1 1 1 2   25 4  o 196.1641 7.749903 1132.405       88.98376 1150.852       94.39931 985.3293       266.5500 197.7202 8.158328 179.5481 26.07501 18.17216       27.32150 
1 1 1 2   25 5  o 72.61372 17.18490 162.3859       72.03789 164.1129       75.35184 144.0370       245.6113 72.98032 17.77291 85.92830 33.60611 -12.94798      38.01641 
1 1 1 2   25 6  o 355.1895 7.072504 3705.994       147.3275 3719.512       164.9314 3652.617       327.7368 355.7588 7.904915 351.0090 15.96227 4.749786       17.81240 
1 1 1 2   25 7  o 167.1530 8.148241 823.2192       79.63759 801.8064       83.67321 1029.275       259.5625 164.9059 8.682254 183.7971 24.70484 -18.89116      26.18608 
1 1 1 2   25 8  o 410.4467 8.937527 4954.854       215.1417 4665.702       256.9369 5633.177       393.5327 397.8310 11.02291 436.0953 15.41104 -38.26431      18.94742 
1 1 1 2   25 9  o 227.1971 9.440380 1521.468       125.5150 1521.468       125.5150 0.000000       0.000000 227.1971 9.440380 ?        ?        0.000000       9.440380 
1 1 1 2   25 10 o 219.9789 9.732344 1427.162       125.2485 1427.162       125.2485 0.000000       0.000000 219.9789 9.732344 ?        ?        0.000000       9.732344 
1 1 1 2   25 11 o 188.5025 10.71356 1050.293       117.9532 1128.415       161.6409 961.3110       172.5111 194.8351 14.24443 179.2917 16.59440 15.54335       21.86956 
1 1 1 2   25 12 o 414.7144 7.647564 5056.269       186.0042 5137.326       209.2296 4750.764       406.1974 417.8938 8.537026 399.5076 17.37807 18.38617       19.36177 
1 1 1 2   25 13 f 202.8771 8.715906 1213.374       103.4622 1319.018       123.0513 958.5136       191.1237 211.3747 9.954152 178.4790 18.52827 32.89565       21.03288 
1 1 1 2   25 14 o 289.9583 6.729741 2470.754       114.4417 2541.311       131.9124 2256.049       230.1099 293.8767 7.660202 275.6753 14.28138 18.20142       16.20606 
1 1 1 2   25 15 o 326.8027 6.280415 3137.827       120.3717 2979.315       146.4379 3468.071       211.3676 318.2695 7.845271 342.8145 10.52552 -24.54498      13.12764 
1 1 1 2   25 16 o 251.0543 7.614543 1855.310       111.9850 1900.676       147.2721 1793.121       172.4276 253.7740 9.914238 246.1107 11.98210 7.663300       15.55194 
1 1 1 2   25 17 o 307.9145 7.243824 2787.624       130.8123 2839.616       146.3016 2580.354       292.1139 310.5744 8.038928 294.0208 17.01306 16.55356       18.81671 
1 1 1 2   25 18 o 139.0736 10.72733 573.7842       86.81995 544.1387       91.68758 830.9564       270.0492 135.2648 11.67186 162.6305 29.39494 -27.36565      31.62744 
1 1 1 2   25 19 o 515.5670 7.321499 7815.480       221.3786 8143.569       254.5143 6795.816       448.6886 526.0875 8.249046 478.0807 16.02535 48.00687       18.02384 
1 1 1 2   25 20 o 185.1299 6.525621 1008.393       70.74070 1006.239       72.61923 1048.415       313.0380 184.9144 6.707342 182.8739 30.24357 2.040512       30.97841 
1 1 1 2   25 21 o 214.9883 10.76468 1366.649       135.2952 1342.546       148.4445 1484.902       328.8022 212.8765 11.93794 219.9329 25.99312 -7.056396      28.60344 
1 1 1 2   25 22 o 40.02911 16.53020 14.08083       62.99031 14.08083       62.99031 0.000000       0.000000 40.02911 16.53020 ?        ?        0.000000       16.53020 
1 1 1 2   25 23 o 239.8405 7.364981 1693.550       103.4736 1737.382       109.9914 1356.245       305.1230 242.8783 7.731670 209.9615 25.28758 32.91673       26.44316 
1 1 1 2   25 24 o 63.54860 17.84991 124.1044       69.25420 86.20470       70.79977 963.8419       333.2619 55.24232 18.53412 172.7664 34.10203 -117.5241      38.81317 
1 1 1 2   25 25 o 47.09126 18.55299 39.04411       75.33068 33.87346       77.25036 139.2193       340.0228 46.67983 18.65923 93.48034 38.48443 -46.80051      42.76936 
1 1 1 2   25 26 f 200.6999 8.562697 1189.719       100.5562 1155.607       104.8146 1584.120       356.4037 197.7106 9.063541 224.7690 27.61659 -27.05838      29.06586 
1 1 1 2   25 27 o 278.3636 7.973833 2285.562       130.0416 2259.615       138.4821 2479.158       378.2682 276.6577 8.545188 284.0784 22.89832 -7.420776      24.44081 
1 1 1 2   25 28 o 46.66749 19.18952 23.98037       84.40984 24.30871       87.38401 19.40176       326.3163 47.38423 19.50868 83.05816 36.06754 -35.67393      41.00557 
1 1 1 2   25 29 o 185.6941 9.404972 1021.992       102.0915 1076.048       106.3472 386.8406       364.5376 190.5232 9.548036 112.2034 41.63156 78.31973       42.71243 
1 1 1 2   25 30 o 143.7402 11.31956 617.6128       94.65460 589.9454       97.99163 1003.207       365.8229 140.2915 12.02577 170.2836 37.63388 -29.99216      39.50859 
1 1 1 2   25 31 o 42.27940 18.57894 -16.80600      88.84917 -37.94304      91.98798 277.1608       343.0505 40.83316 18.36100 99.88479 39.51729 -59.05162      43.57456 
1 1 1 2   25 32 o 168.5914 10.17385 848.8270       100.1257 885.8970       104.7476 456.3533       340.8304 172.1697 10.42259 112.9227 40.50433 59.24706       41.82381 
1 1 1 2   25 33 o 309.3561 7.614502 2833.483       138.1499 2810.696       146.7763 3010.430       409.0042 307.7963 8.138100 306.6247 22.90977 1.171631       24.31227 
1 1 1 2   25 34 o 156.0738 11.83872 736.6531       107.5558 737.0589       112.3824 732.2311       370.9892 155.8921 12.39399 133.7158 42.26440 22.17628       44.04419 
1 1 1 2   25 35 o 140.1075 13.25727 600.5317       107.6390 541.8810       111.9672 1315.456       390.9164 132.4219 14.66256 186.3952 37.06538 -53.97330      39.86017 
1 1 1 2   25 36 o 52.57562 21.87945 39.42757       111.5469 37.03557       116.8271 64.10975       375.2795 53.17779 22.27975 81.99170 36.95809 -28.81391      43.15423 
1 1 1 2   25 37 o 55.47078 22.41127 63.96893       112.7142 71.54150       118.0947 -13.49987      377.7219 57.18147 22.99722 77.22816 35.66172 -20.04668      42.43384 
1 1 1 2   25 38 o 125.5767 15.80221 498.5920       113.8087 512.1389       118.7395 345.5692       399.0741 126.9956 16.31924 95.36529 40.62313 31.63031       43.77849 
1 1 1 2   25 39 o 29.49458 14.70162 -242.3281      102.0017 -248.8168      105.2926 -143.3639      411.2045 29.98613 14.94508 72.78352 34.70682 -42.79739      37.78781 
1 1 1 2   25 40 o 54.82821 22.13047 68.15071       109.7908 18.87400       114.0047 698.0124       407.5908 49.67391 21.44464 115.1266 43.74252 -65.45274      48.71633 
1 1 1 2   25 41 o 80.80332 23.00198 231.6779       114.2194 249.8781       119.3573 33.82369       393.5357 83.67298 23.40876 76.22889 35.60630 7.444092       42.61195 
1 1 1 2   25 42 o 145.1731 14.63059 667.9334       122.8683 699.1014       128.2862 322.1369       427.3025 148.3051 14.95333 88.52777 39.70898 59.77728       42.43118 
1 1 1 2   25 43 o 57.42371 24.22695 65.24131       139.6603 12.56807       145.7619 655.1794       487.8117 53.27425 23.58672 102.9446 44.40013 -49.67039      50.27629 
1 1 1 2   25 44 o 50.08103 22.71842 -21.52963      144.4999 -30.12620      150.7229 76.17322       508.1247 50.36604 22.98526 79.23223 37.99680 -28.86619      44.40809 
1 1 1 2   26 0  f 501.4752 10.25880 7403.230       301.7148 6693.751       368.8192 8838.590       524.5949 476.0460 13.22315 546.0397 16.39992 -69.99365      21.06678 
1 1 1 2   26 1  o 374.3426 8.337546 4119.894       183.0451 4119.894       183.0451 0.000000       0.000000 374.3426 8.337546 ?        ?        0.000000       8.337546 
1 1 1 2   26 2  o 484.7901 10.10860 6918.208       287.4057 6802.966       378.5832 7074.973       441.5496 479.8398 13.46617 488.7750 15.42282 -8.935242      20.47441 
1 1 1 2   26 3  o 465.0593 9.175520 6362.441       250.2589 6362.441       250.2589 0.000000       0.000000 465.0593 9.175520 ?        ?        0.000000       9.175520 
1 1 1 2   26 4  o 341.5828 7.251050 3428.396       145.2605 3306.709       157.5324 4119.401       375.3944 335.3914 8.008801 372.2962 17.23968 -36.90485      19.00914 
1 1 1 2   26 5  o 85.78576 16.03117 224.8469       77.69007 214.9440       81.13079 334.2263       269.6327 83.65192 17.11449 106.8941 36.17034 -23.24216      40.01499 
1 1 1 2   26 6  o 138.4673 9.678030 567.0633       78.09833 566.1171       81.66631 577.1873       267.1362 138.2936 10.13957 134.6852 33.86028 3.608459       35.34586 
1 1 1 2   26 7  o 354.3671 7.103395 3690.009       147.6284 3736.230       167.0406 3525.096       315.5205 356.4818 7.989767 344.6416 15.65108 11.84027       17.57250 
1 1 1 2   26 8  o 234.0537 8.642521 1613.632       118.4295 1596.775       130.0914 1695.214       286.1825 232.7103 9.552269 237.4309 20.76070 -4.720535      22.85284 
1 1 1 2   26 9  o 393.4087 7.223762 4548.822       166.6702 4448.898       185.7181 4962.359       377.8134 388.9440 8.141730 408.8535 15.78614 -19.90958      17.76204 
1 1 1 2   26 10 o 290.4857 9.836830 2488.101       167.3414 2488.101       167.3414 0.000000       0.000000 290.4857 9.836830 ?        ?        0.000000       9.836830 
1 1 1 2   26 11 o 166.2542 10.04085 817.2940       97.44609 802.6219       106.0323 897.0388       247.1967 164.6054 11.04754 170.6193 25.48368 -6.013931      27.77528 
1 1 1 2   26 12 o 199.9562 7.403576 1177.142       86.67152 1207.198       93.91898 1004.634       225.0036 202.4378 7.925949 181.8963 21.50741 20.54152       22.92137 
1 1 1 2   26 13 f 265.6476 6.443373 2073.582       100.3852 2014.934       119.1448 2217.089       186.3742 261.6278 7.773609 273.8127 11.63248 -12.18488      13.99084 
1 1 1 2   26 14 o 189.6953 7.220778 1059.493       80.18579 1060.058       96.77964 1058.257       143.2068 189.5690 8.728373 188.7278 13.01806 0.8411560      15.67336 
1 1 1 2   26 15 o 466.8578 7.169492 6407.994       196.3014 6067.454       237.7038 7138.285       348.0964 453.9578 8.928329 491.5690 12.07437 -37.61121      15.01684 
1 1 1 2   26 16 o 416.9069 6.846672 5108.932       167.4052 4841.813       201.7212 5699.912       300.0441 405.6048 8.480040 439.2204 11.65833 -33.61563      14.41623 
1 1 1 2   26 17 o 176.8628 8.670024 922.9232       89.65651 947.7319       93.78315 659.4859       305.6058 179.1938 8.952183 142.6151 36.41570 36.57861       37.49993 
1 1 1 2   26 18 o 342.0467 7.732621 3441.030       155.1182 3542.687       173.9959 3047.328       342.4158 346.9471 8.551162 319.1823 18.36974 27.76489       20.26252 
1 1 1 2   26 19 o 386.4190 7.886862 4392.260       178.7365 4390.463       200.3079 4399.281       395.9375 386.1856 8.844056 383.9677 17.62958 2.217926       19.72357 
1 1 1 2   26 20 o 218.3651 6.163689 1402.103       78.85692 1392.844       81.25060 1552.343       327.2855 217.6217 6.372971 225.1607 25.21739 -7.539032      26.01022 
1 1 1 2   26 21 o 145.4933 7.449484 624.2153       63.35363 624.2153       63.35363 0.000000       0.000000 145.4933 7.449484 ?        ?        0.000000       7.449484 
1 1 1 2   26 22 o 362.7029 6.524962 3867.243       138.7968 3842.574       149.7298 4017.900       370.0205 361.4672 7.062994 366.5991 17.25857 -5.131866      18.64790 
1 1 1 2   26 23 o 98.06483 11.36045 287.9734       64.12978 287.9734       64.12978 0.000000       0.000000 98.06483 11.36045 ?        ?        0.000000       11.36045 
1 1 1 2   26 24 o 190.6328 16.43091 1093.103       181.9093 866.4223       209.5124 1787.364       366.6602 167.8963 21.79094 239.8833 26.50375 -71.98701      34.31172 
1 1 1 2   26 25 o 120.5657 23.68024 457.9017       161.4633 315.0240       179.6222 1059.298       368.5175 99.32917 29.02137 178.8306 36.37685 -79.50141      46.53509 
1 1 1 2   26 26 o 225.3271 7.933975 1498.235       104.6831 1470.384       108.9315 1834.547       378.5310 223.1470 8.338277 241.7779 27.16464 -18.63086      28.41557 
1 1 1 2   26 27 o 183.8850 9.236971 1001.269       99.29639 1010.836       103.1729 881.0909       365.6773 184.7006 9.557106 160.2455 39.23095 24.45511       40.37828 
1 1 1 2   26 28 o 174.8132 9.779494 906.9067       99.86340 918.9564       103.7374 754.5553       368.8672 175.9055 10.09798 146.4625 41.21519 29.44292       42.43420 
1 1 1 2   26 29 o 232.5325 8.281912 1599.014       112.7641 1599.113       118.2780 1598.023       373.6786 232.4410 8.691737 222.1618 29.40100 10.27919       30.65885 
1 1 1 2   26 30 o 216.3624 8.302793 1386.246       105.1598 1435.246       110.0936 876.0201       355.2600 220.0952 8.545290 156.3064 38.90760 63.78888       39.83495 
1 1 1 2   26 31 o 273.5974 7.513487 2214.509       120.4461 2168.308       127.0210 2626.449       379.2851 270.5627 8.013753 288.1577 22.62453 -17.59509      24.00186 
1 1 1 2   26 32 o 53.62176 20.61686 66.80640       91.24983 43.19575       94.59837 382.7134       346.0265 50.69446 20.51347 104.7792 40.18310 -54.08478      45.11634 
1 1 1 2   26 33 o 199.1991 9.147933 1183.842       106.5859 1229.697       111.7424 721.1104       354.9668 202.9258 9.414893 133.8190 41.19700 69.10681       42.25912 
1 1 1 2   26 34 o 164.3675 11.37510 816.1840       108.9769 816.8533       113.8088 808.8007       378.0152 164.2102 11.89819 138.9321 42.46564 25.27811       44.10099 
1 1 1 2   26 35 o 67.62117 22.51067 146.5989       104.4696 113.3314       108.5526 564.0481       384.5316 62.39413 22.79185 114.6003 42.71243 -52.20612      48.41302 
1 1 1 2   26 36 o 194.8543 10.44877 1145.853       118.9692 1120.741       124.6569 1402.360       398.4021 192.3541 11.09716 188.0641 37.43810 4.289963       39.04815 
1 1 1 2   26 37 o 53.39071 21.93380 51.90205       110.1470 35.12605       115.1009 234.3020       379.5309 52.18101 22.00333 88.70595 38.70340 -36.52494      44.52078 
1 1 1 2   26 38 o 86.68707 21.09810 255.9199       106.2342 245.2354       110.7641 378.5898       375.3102 84.34243 22.12249 95.86919 40.03292 -11.52676      45.73882 
1 1 1 2   26 39 o 149.6497 13.15419 695.1122       114.2755 690.4884       119.4254 745.2810       393.3851 148.7068 13.85287 120.3426 43.47057 28.36417       45.62447 
1 1 1 2   26 40 o 86.80805 22.12713 264.1143       112.9696 279.2375       117.1602 63.98333       426.2025 89.11512 22.43537 79.04111 36.96393 10.07401       43.23977 
1 1 1 2   26 41 o 79.76067 24.23066 230.4881       123.3238 223.5644       128.5524 310.4456       436.8594 78.37717 24.89216 88.45218 39.87224 -10.07500      47.00441 
1 1 1 2   26 42 o 124.1120 20.35068 524.6290       143.0007 541.3533       149.5522 346.1938       488.4937 125.5088 21.06283 89.22670 40.96667 36.28214       46.06421 
1 1 1 2   26 43 o 53.91186 23.57425 28.50242       141.4823 31.10379       147.3513 -2.215970      506.3512 54.90693 24.03263 77.41961 37.33214 -22.51268      44.39883 
1 1 1 2   27 0  o 386.0685 8.249022 4383.259       186.7744 4196.946       273.7596 4545.503       255.4660 376.8938 12.40200 392.5365 11.10809 -15.64264      16.64930 
1 1 1 2   27 1  o 507.6797 10.30563 7591.896       306.8422 7052.129       382.2649 8569.690       514.4997 488.3777 13.35876 537.3221 16.34576 -48.94440      21.11020 
1 1 1 2   27 2  o 380.8541 7.317798 4263.118       163.4517 4082.958       180.1081 5104.231       389.1629 372.6059 8.242007 414.6464 16.03327 -42.04044      18.02766 
1 1 1 2   27 3  o 373.6197 7.300877 4102.754       159.9762 3990.379       177.4314 4591.070       369.8668 368.3555 8.213210 393.1844 16.07367 -24.82895      18.05048 
1 1 1 2   27 4  o 295.3507 7.268956 2563.885       125.9101 2467.380       136.7244 3102.550       323.0219 289.5514 8.059208 322.7753 17.12530 -33.22388      18.92688 
1 1 1 2   27 5  o 183.8472 8.890992 996.9289       95.58029 1057.523       101.9266 555.2979       275.1711 189.3256 9.207293 131.7052 35.02188 57.62048       36.21196 
1 1 1 2   27 6  o 320.0146 7.280058 3010.287       136.6329 3099.247       151.2359 2615.222       318.7069 324.6342 7.943467 295.7994 18.46353 28.83475       20.09977 
1 1 1 2   27 7  o 337.9965 7.361798 3358.480       145.9307 3560.642       166.0513 2672.645       305.8466 347.9231 8.137827 299.2757 17.50174 48.64737       19.30117 
1 1 1 2   27 8  f 323.8544 7.116459 3082.947       135.1650 3142.710       149.3203 2811.815       318.0487 326.9005 7.788482 306.8766 17.74746 20.02399       19.38124 
1 1 1 2   27 9  o 159.6120 10.98247 754.9080       102.1788 754.9080       102.1788 0.000000       0.000000 159.6120 10.98247 ?        ?        0.000000       10.98247 
1 1 1 2   27 10 o 304.0097 10.00051 2726.399       178.0609 2726.399       178.0609 0.000000       0.000000 304.0097 10.00051 ?        ?        0.000000       10.00051 
1 1 1 2   27 11 o 53.79121 18.02422 81.29865       66.95988 62.06864       72.13105 201.1715       180.0914 50.68523 18.56869 84.79978 29.53062 -34.11455      34.88343 
1 1 1 2   27 12 o 124.6500 10.25277 461.0930       74.29014 441.6485       82.71230 542.2507       168.9804 121.7480 11.72897 132.5875 22.53698 -10.83948      25.40638 
1 1 1 2   27 13 o 286.0416 7.179377 2407.083       120.3436 2301.690       128.4142 3167.376       344.9026 279.6175 7.838386 325.4521 18.14183 -45.83456      19.76275 
1 1 1 2   27 14 o 287.2437 7.028572 2425.554       118.4045 2524.048       135.7002 2111.360       242.3666 292.8145 7.909253 266.2524 15.58953 26.56207       17.48112 
1 1 1 2   27 15 o 411.9652 7.048475 4989.214       170.2967 4880.933       208.2775 5207.611       295.7950 407.1992 8.721376 419.7115 12.02922 -12.51230      14.85815 
1 1 1 2   27 16 o 219.4115 7.157166 1416.813       91.97495 1359.006       108.2821 1566.557       174.2782 214.7077 8.616710 229.8060 12.98379 -15.09825      15.58289 
1 1 1 2   27 17 o 151.6083 10.63864 681.1047       93.99264 702.0452       97.74025 423.6362       342.7217 153.8931 10.89992 118.5766 40.76502 35.31647       42.19710 
1 1 1 2   27 18 o 126.6666 12.34782 478.5378       90.56506 452.5213       93.70966 846.7845       352.5572 122.9914 13.19768 161.1664 37.93429 -38.17497      40.16452 
1 1 1 2   27 19 o 162.9718 9.587629 785.2963       91.23286 764.4922       94.65514 1057.495       342.3828 160.7189 10.09311 182.2380 33.25999 -21.51907      34.75770 
1 1 1 2   27 20 o 498.5304 7.221594 7309.311       211.1423 7311.477       231.1880 7298.420       518.3900 498.4590 7.908340 494.1388 17.91747 4.320221       19.58514 
1 1 1 2   27 21 o 96.37911 8.604601 275.7520       48.12571 264.9722       48.62641 791.1315       336.2260 94.42223 8.885517 154.9952 37.41694 -60.57298      38.45751 
1 1 1 2   27 22 o 196.7537 6.286360 1139.251       72.44608 1103.284       74.20016 1873.113       335.1657 193.5905 6.544781 247.4022 23.37687 -53.81168      24.27575 
1 1 1 2   27 23 o 211.2481 6.440004 1313.703       79.69332 1274.428       81.85035 2029.548       349.4378 208.0275 6.717676 257.1233 23.42988 -49.09573      24.37389 
1 1 1 2   27 24 o 285.8728 7.644218 2408.938       128.0462 2408.938       128.0462 0.000000       0.000000 285.8728 7.644218 ?        ?        0.000000       7.644218 
1 1 1 2   27 25 o 51.28052 17.83036 71.67368       65.64198 68.84206       66.86837 146.7527       344.3205 50.87488 17.97302 93.33355 38.60509 -42.45867      42.58383 
1 1 1 2   27 26 o 53.44324 19.05277 75.40731       75.29502 77.32631       77.39605 41.49467       325.3585 54.12548 19.31450 84.20316 36.28850 -30.07767      41.10846 
1 1 1 2   27 27 o 282.4267 7.972989 2355.082       131.9297 2354.488       139.5529 2360.084       404.7062 282.2752 8.439249 274.3657 25.44101 7.909485       26.80422 
1 1 1 2   27 28 o 319.8805 7.763681 3019.905       145.6485 3048.679       154.8353 2798.784       429.2233 321.1714 8.226975 298.4791 24.74202 22.69226       26.07394 
1 1 1 2   27 29 o 26.15259 12.97957 -179.3975      76.11522 -172.2958      77.84630 -333.7719      362.9485 27.00482 13.35322 68.85387 32.76934 -41.84906      35.38556 
1 1 1 2   27 30 o 175.2083 9.263281 913.8315       94.84713 919.4103       98.63305 845.3166       345.6547 175.6437 9.611645 151.3567 38.77104 24.28699       39.94468 
1 1 1 2   27 31 o 74.22433 19.94971 178.2211       88.69868 191.7274       91.61249 -24.02818      354.5113 76.90033 20.09437 79.01855 35.74088 -2.118225      41.00237 
1 1 1 2   27 32 o 136.0510 12.49547 562.6058       98.58961 569.2174       103.2559 494.3752       331.7029 136.6418 13.04297 112.9250 40.01725 23.71680       42.08918 
1 1 1 2   27 33 o 161.7669 10.97705 789.0804       103.5251 786.7296       107.6135 818.2673       379.1826 161.3315 11.44795 139.7530 42.49452 21.57848       44.00954 
1 1 1 2   27 34 o 205.9781 9.481715 1270.895       114.2331 1259.708       119.4100 1391.594       392.2111 204.8406 9.969666 191.1362 36.31594 13.70435       37.65955 
1 1 1 2   27 35 o 77.34650 21.64111 201.6825       102.0063 176.9614       105.6282 543.7311       392.9068 72.67433 22.49045 110.4675 42.69973 -37.79321      48.26062 
1 1 1 2   27 36 o 122.4020 15.50786 472.2846       108.8296 467.4003       113.0569 533.9581       401.7429 121.3301 16.30032 108.0356 42.75731 13.29450       45.75901 
1 1 1 2   27 37 o 94.02945 20.97129 299.3273       112.7026 293.7951       118.2219 354.4612       373.2126 92.50143 22.09605 94.51691 39.72456 -2.015488      45.45631 
1 1 1 2   27 38 o 91.22179 21.73459 287.1896       114.6169 259.9346       120.0276 569.2103       386.0989 85.88239 23.26058 107.1801 42.07056 -21.29771      48.07272 
1 1 1 2   27 39 o 52.99893 22.28781 45.78400       117.5889 91.75816       122.8906 -452.8250      404.7079 59.18453 23.57535 62.33741 30.75389 -3.152882      38.75047 
1 1 1 2   27 40 o 40.19062 19.05461 -107.6934      120.4134 -120.7001      125.5506 41.55938       425.3011 40.41238 19.24456 77.53504 36.47036 -37.12267      41.23640 
1 1 1 2   27 41 o 158.3866 16.15560 808.4734       147.9703 812.2516       154.9537 769.3679       498.5146 158.0281 16.98559 108.7887 45.82804 49.23935       48.87453 
1 1 1 2   27 42 o 76.62688 27.00280 219.2587       150.8642 181.6185       157.1349 662.8242       539.4182 71.76476 27.18467 100.9111 44.98463 -29.14636      52.56067 
1 1 1 2   28 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   28 1  o 480.2384 10.21697 6796.765       287.7593 6937.369       378.4680 6604.108       443.0196 484.1523 13.34169 471.4021 16.04777 12.75021       20.86939 
1 1 1 2   28 2  o 115.2132 12.68587 396.8795       84.30122 427.4960       94.69658 279.9468       185.0651 119.4296 13.77175 95.65517 29.79672 23.77447       32.82539 
1 1 1 2   28 3  o 55.52513 19.67519 80.45878       80.18378 102.7331       90.26131 -2.916730      174.6301 61.03995 20.92246 62.07618 26.66704 -1.036232      33.89514 
1 1 1 2   28 4  o 176.6270 9.392303 921.3087       96.94282 1001.123       104.4131 422.6454       260.9870 184.0968 9.704989 115.8360 35.26141 68.26086       36.57258 
1 1 1 2   28 5  o 393.7795 8.613327 4563.562       198.9182 4563.562       198.9182 0.000000       0.000000 393.7795 8.613327 ?        ?        0.000000       8.613327 
1 1 1 2   28 6  o 569.9407 10.64223 9578.688       355.7236 9578.688       355.7236 0.000000       0.000000 569.9407 10.64223 ?        ?        0.000000       10.64223 
1 1 1 2   28 7  o 400.4894 7.547522 4716.741       177.2744 4555.212       194.8792 5491.538       426.8092 393.4307 8.445918 429.3325 16.98429 -35.90179      18.96838 
1 1 1 2   28 8  o 156.0737 9.091086 719.6949       82.85368 770.3592       86.87803 210.5205       275.4180 161.4758 9.212078 94.22232 35.91984 67.25349       37.08230 
1 1 1 2   28 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   28 10 o 117.3128 13.88211 413.0399       93.66199 413.0399       93.66199 0.000000       0.000000 117.3128 13.88211 ?        ?        0.000000       13.88211 
1 1 1 2   28 11 o 239.0385 7.155648 1681.425       100.2024 1756.269       113.0030 1406.076       216.7472 244.2129 7.900287 216.6924 17.19621 27.52042       18.92417 
1 1 1 2   28 12 f 278.9234 7.001620 2288.466       114.4434 2301.914       132.0088 2247.781       229.6136 279.6013 8.058731 275.0804 14.28160 4.520844       16.39840 
1 1 1 2   28 13 o 73.41278 18.46177 166.9504       79.39710 109.1931       86.78980 463.3083       196.5954 61.82686 20.51576 120.9932 28.22475 -59.16639      34.89316 
1 1 1 2   28 14 o 185.1108 8.890903 1011.103       96.24023 882.5747       106.8806 1561.913       221.2584 172.6786 10.60498 228.6305 16.61457 -55.95184      19.71064 
1 1 1 2   28 15 o 331.9593 7.345892 3240.166       143.0144 3308.041       163.8538 3023.079       293.0341 335.2881 8.332740 318.7318 15.72480 16.55624       17.79618 
1 1 1 2   28 16 o 324.1753 6.861234 3089.076       130.4466 3130.287       160.7141 3009.501       223.3222 326.0256 8.412298 318.9712 11.95913 7.054474       14.62148 
1 1 1 2   28 17 o 328.9770 6.796681 3181.340       131.1333 3268.106       163.8863 3026.929       218.6273 333.1154 8.395444 319.9279 11.67159 13.18747       14.37740 
1 1 1 2   28 18 o 50.69331 19.04544 57.68608       76.76925 50.61331       78.55482 207.9824       362.1198 49.81019 19.13477 101.2986 40.42999 -51.48837      44.72945 
1 1 1 2   28 19 o 193.6066 8.304704 1105.655       94.07706 1071.821       97.29376 1592.101       368.9144 190.5567 8.729015 226.1418 28.44372 -35.58507      29.75300 
1 1 1 2   28 20 o 69.32624 8.708246 143.7981       34.62693 141.7881       34.79707 347.8393       350.5965 68.81392 8.825042 110.9751 40.89033 -42.16119      41.83181 
1 1 1 2   28 21 o 172.4334 5.825825 874.9155       58.83088 855.7454       59.60019 1603.142       367.3394 170.5170 5.968976 226.2197 28.30550 -55.70276      28.92801 
1 1 1 2   28 22 o 102.9017 8.096086 313.9198       48.46616 316.0818       48.98708 213.8827       333.2245 103.2493 8.156114 97.85893 38.87312 5.390350       39.71953 
1 1 1 2   28 23 o 208.6519 5.988912 1281.313       73.21014 1283.232       74.67417 1233.799       371.5397 208.7934 6.104777 194.3918 33.81681 14.40157       34.36343 
1 1 1 2   28 24 f 195.4448 7.547059 1127.145       86.34464 1132.337       89.01230 1044.408       355.3524 195.8595 7.764552 177.2185 35.42931 18.64093       36.27015 
1 1 1 2   28 25 o 33.40142 14.83883 -19.77811      58.18188 -34.36137      58.92909 544.3705       366.5212 31.82218 14.46412 126.5544 42.16501 -94.73217      44.57689 
1 1 1 2   28 26 o 290.9396 6.799253 2493.452       116.0151 2499.534       120.7693 2420.732       417.5953 291.2404 7.070569 277.2696 25.98316 13.97083       26.92801 
1 1 1 2   28 27 o 23.51506 11.70772 -160.5004      63.92105 -154.6983      64.81013 -367.6334      387.2351 24.09655 11.96221 71.00122 33.80731 -46.90467      35.86124 
1 1 1 2   28 28 o 118.9289 10.96730 424.5092       75.63471 428.7690       77.27088 327.1047       369.4968 119.4817 11.15613 104.5152 41.11635 14.96649       42.60297 
1 1 1 2   28 29 o 30.64458 14.47390 -73.74427      68.24543 -62.05758      69.72406 -340.5508      333.1463 32.15394 15.00859 64.29521 30.81582 -32.14127      34.27641 
1 1 1 2   28 30 o 167.8257 9.363944 840.6197       91.79991 832.9025       94.65630 962.7288       376.5258 166.9418 9.709850 157.8654 40.47961 9.076385       41.62788 
1 1 1 2   28 31 o 44.71355 18.92032 13.84971       85.59145 44.06924       88.23518 -467.8914      352.2936 49.44090 19.88038 61.25694 29.90457 -11.81603      35.90979 
1 1 1 2   28 32 o 62.63882 21.65599 119.2955       96.76945 91.52734       100.0383 523.4850       381.6676 58.33040 21.77669 113.2275 42.48137 -54.89708      47.73773 
1 1 1 2   28 33 o 153.6674 11.76601 717.0140       105.2315 701.1736       110.1621 882.1818       355.7227 151.6199 12.49962 146.3866 40.20773 5.233276       42.10584 
1 1 1 2   28 34 o 90.04259 19.22011 266.7533       98.40646 237.9459       101.9228 662.7734       377.9012 84.28497 20.75822 120.8054 42.72228 -36.52045      47.49839 
1 1 1 2   28 35 o 126.7777 14.21986 500.8393       103.9076 539.6401       107.5110 -49.06355      404.7391 131.6859 14.14210 77.03302 36.02364 54.65288       38.70015 
1 1 1 2   28 36 o 38.88366 18.28948 -90.64250      106.9509 -61.24633      111.1451 -458.2339      393.0318 42.02027 19.38264 62.66474 30.79641 -20.64447      36.38826 
1 1 1 2   28 37 o 85.48926 22.83939 256.0522       116.6869 191.4094       122.3105 910.9264       389.2982 74.11033 24.34477 135.8790 43.33624 -61.76862      49.70611 
1 1 1 2   28 38 o 42.92277 19.82144 -59.77551      116.7116 -60.59946      122.0996 -51.05293      397.2688 43.91490 20.27755 73.50508 34.77852 -29.59018      40.25822 
1 1 1 2   28 39 o 45.44783 20.66370 -35.54433      120.3858 -59.79752      125.4217 248.4120       429.1549 44.48546 20.54475 86.02620 39.07462 -41.54074      44.14650 
1 1 1 2   28 40 o 37.80212 18.32316 -166.6177      125.9831 -159.8228      130.3159 -263.7339      492.6648 39.00346 18.84010 71.10838 34.85078 -32.10492      39.61724 
1 1 1 2   28 41 o 53.68825 23.40359 29.19181       138.5071 63.08247       143.4766 -434.7714      530.8635 57.56517 24.43338 69.12470 34.30177 -11.55954      42.11414 
1 1 1 2   29 0  o 211.3799 8.679275 1317.464       107.3675 1300.484       114.2983 1444.874       313.0905 209.9244 9.306952 217.2314 25.03237 -7.306976      26.70654 
1 1 1 2   29 1  o 207.5266 8.413845 1269.525       102.1921 1255.612       118.0094 1311.241       204.3424 206.1943 9.786572 209.3168 16.78638 -3.122543      19.43089 
1 1 1 2   29 2  o 174.4526 11.43682 902.1715       116.3675 990.8386       140.0192 704.1703       209.2379 182.5506 13.16685 150.9204 24.47749 31.63022       27.79413 
1 1 1 2   29 3  o 202.1263 8.540691 1204.616       101.0151 1306.639       118.4706 932.8882       193.3429 210.3746 9.627632 175.7668 19.06077 34.60785       21.35426 
1 1 1 2   29 4  o 266.8076 7.992404 2096.136       124.9212 2166.530       135.7477 1706.889       319.2122 271.1746 8.546251 236.9608 23.26931 34.21376       24.78909 
1 1 1 2   29 5  o 399.6523 8.802588 4702.281       206.3209 4702.281       206.3209 0.000000       0.000000 399.6523 8.802588 ?        ?        0.000000       8.802588 
1 1 1 2   29 6  o 250.0140 8.143273 1841.125       119.2433 1948.720       129.1746 1221.009       310.1112 257.1615 8.576867 198.6344 27.34511 58.52708       28.65864 
1 1 1 2   29 7  o 239.3071 7.792747 1686.322       109.2238 1669.766       117.4947 1791.648       296.3570 238.0440 8.429396 243.6131 20.94579 -5.569077      22.57833 
1 1 1 2   29 8  o 215.7712 7.943199 1371.480       100.3454 1369.205       106.6783 1388.952       295.6414 215.5266 8.456059 213.2762 24.05508 2.250473       25.49808 
1 1 1 2   29 9  o 264.4781 8.052325 2059.841       124.7543 2059.841       124.7543 0.000000       0.000000 264.4781 8.052325 ?        ?        0.000000       8.052325 
1 1 1 2   29 10 o 276.0374 7.432181 2242.256       120.2097 2183.915       128.0840 2673.449       348.2121 272.3399 8.028003 298.2917 20.02047 -25.95187      21.57008 
1 1 1 2   29 11 o 114.8894 13.02499 395.2392       86.21560 439.5154       89.74023 -135.4312      310.6807 121.2676 12.81148 74.00991 33.46862 47.25773       35.83688 
1 1 1 2   29 12 o 319.5081 7.714035 3002.524       144.5487 3062.292       157.7165 2688.771       361.3599 322.4835 8.346113 298.9087 20.74213 23.57480       22.35830 
1 1 1 2   29 13 o 385.2837 7.814549 4366.418       176.5773 4204.263       192.0417 5253.354       449.1336 377.9279 8.664351 419.3311 18.30694 -41.40311      20.25377 
1 1 1 2   29 14 o 108.5216 15.28188 356.1047       94.57203 260.2982       106.6555 708.5098       204.5534 91.50347 20.39561 151.5749 23.79344 -60.07145      31.33861 
1 1 1 2   29 15 o 36.58118 16.39719 -32.10308      72.72495 -123.8591      84.60426 227.5546       142.3232 32.05140 15.40548 86.06153 26.00631 -54.01014      30.22676 
1 1 1 2   29 16 f 185.0077 7.500285 1008.471       81.21138 986.1826       97.38702 1059.354       147.1460 182.7408 9.115665 188.6703 13.38515 -5.929565      16.19437 
1 1 1 2   29 17 o 226.2603 6.717188 1506.517       89.03590 1444.881       108.8518 1631.122       154.7693 221.3569 8.400025 234.7024 11.27689 -13.34543      14.06160 
1 1 1 2   29 18 o 245.3630 7.600969 1773.427       109.2457 1777.361       114.6085 1734.307       361.3618 245.5803 7.967977 236.7972 26.47292 8.783066       27.64605 
1 1 1 2   29 19 o 58.29135 17.65825 102.5230       65.55957 105.7769       66.50796 -9.134372      389.5992 59.11255 17.75906 89.28160 39.07823 -30.16906      42.92426 
1 1 1 2   29 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   29 21 o 78.53055 29.26668 157.4207       180.5319 87.18127       205.6361 393.5590       377.0440 74.07425 30.14502 114.7856 42.38520 -40.71132      52.01180 
1 1 1 2   29 22 o 44.75730 21.38560 -200.2702      157.7873 -214.4234      176.3514 -143.4638      353.3055 47.67186 22.73133 77.48576 35.29602 -29.81390      41.98241 
1 1 1 2   29 23 o 137.3478 20.67161 584.7581       161.3554 593.7590       180.9126 549.7491       356.7926 137.4836 23.26619 127.3022 41.56585 10.18144       47.63439 
1 1 1 2   29 24 o 72.25807 28.32378 112.0466       174.7975 13.92083       198.7774 446.7255       367.1045 66.25383 28.45622 117.3973 42.04520 -51.14349      50.76963 
1 1 1 2   29 25 o 345.4388 11.97203 3554.552       242.1768 3376.381       284.5471 4022.781       461.2797 335.4411 14.49820 361.0699 21.88601 -25.62881      26.25253 
1 1 1 2   29 26 o 95.18144 27.61083 296.6228       163.1071 259.6588       180.7658 458.5670       378.3640 90.19813 29.59413 116.5532 42.55522 -26.35506      51.83396 
1 1 1 2   29 27 o 282.5616 6.327441 2353.709       104.8556 2323.766       108.2180 2813.232       423.9362 280.6995 6.573664 297.2990 24.53214 -16.59946      25.39762 
1 1 1 2   29 28 o 85.55873 13.40520 225.3560       65.05737 220.6783       66.08614 372.1027       370.1474 84.53078 13.80662 105.7205 41.28198 -21.18972      43.52958 
1 1 1 2   29 29 o 56.89667 18.21042 99.42325       68.69478 91.81246       69.92494 310.0375       367.8419 55.34241 18.41642 99.46551 40.37706 -44.12309      44.37873 
1 1 1 2   29 30 o 76.60596 18.02068 189.1949       79.59914 208.1840       81.97446 -124.2995      333.0746 80.47454 17.83758 71.30748 33.12198 9.167061       37.61974 
1 1 1 2   29 31 o 123.0804 13.13469 464.2336       93.34760 458.2395       95.98946 568.6536       400.6404 122.0720 13.64068 116.3290 43.54941 5.742912       45.63572 
1 1 1 2   29 32 o 97.68732 16.66657 303.5196       92.06164 270.3477       94.73461 866.5928       390.3070 91.37025 18.31716 140.9409 43.16412 -49.57067      46.88987 
1 1 1 2   29 33 o 98.96791 17.43919 315.3622       97.52440 312.4018       100.8481 358.0664       383.0243 98.12315 18.19430 97.44364 40.54676 0.6795044      44.44179 
1 1 1 2   29 34 o 41.52808 18.80917 -36.61309      98.58338 -35.73755      102.5997 -47.14394      355.8261 42.49961 19.22482 73.61732 34.20842 -31.11771      39.24041 
1 1 1 2   29 35 o 61.81222 22.55141 116.4524       106.2261 115.6713       109.6743 128.2911       426.9856 61.96650 22.86356 84.35105 38.56788 -22.38455      44.83552 
1 1 1 2   29 36 o 57.12898 22.73386 80.74460       114.1630 43.18802       117.4803 717.7352       483.8253 52.98239 22.27898 112.9607 46.13772 -59.97831      51.23516 
1 1 1 2   29 37 o 42.69584 19.80211 -67.20433      118.3665 -40.07563      123.8298 -354.4519      402.9388 45.84937 20.88934 64.71029 31.67378 -18.86092      37.94197 
1 1 1 2   29 38 o 51.73412 22.14437 32.69435       119.6181 86.81481       124.8893 -568.1384      416.1227 58.61584 23.62304 60.37546 30.02888 -1.759624      38.20709 
1 1 1 2   29 39 o 72.44907 24.75849 187.8091       126.3715 206.5344       131.6341 -32.43155      451.4424 75.30225 25.27212 75.32432 36.04029 -0.2207184E-01 44.01799 
1 1 1 2   29 40 o 49.85501 22.08781 3.971455       128.0363 45.32769       132.2262 -617.7588      512.6818 54.41653 23.28713 64.87357 32.43220 -10.45704      39.92666 
1 1 1 2   30 0  o 174.5836 10.87818 902.6334       110.8274 925.6071       118.1758 734.9510       319.2696 176.7048 11.46517 150.4263 36.55350 26.27855       38.30938 
1 1 1 2   30 1  o 128.8565 13.49411 496.6587       100.4662 549.1231       115.6937 335.7787       202.5948 135.3008 14.82235 103.6023 30.96548 31.69857       34.33020 
1 1 1 2   30 2  o 282.5298 7.712629 2349.605       127.6764 2494.766       152.2914 2006.235       234.2245 290.9467 8.935658 259.5337 15.45825 31.41299       17.85507 
1 1 1 2   30 3  o 123.6327 13.85905 458.1172       98.76105 563.9303       112.1249 91.90462       208.5925 137.2728 14.12884 75.80454 30.53698 61.46827       33.64716 
1 1 1 2   30 4  o 98.17732 39.03718 192.2044       336.3544 0.000000       0.000000 192.2044       336.3544 ?        ?        98.17732 39.03718 0.000000       39.03718 
1 1 1 2   30 5  o 333.0029 11.62200 3278.095       226.6279 3553.406       281.4226 2770.164       382.2517 346.1327 13.89149 303.0301 21.65131 43.10266       25.72456 
1 1 1 2   30 6  o 417.4220 9.128775 5131.104       223.4798 5131.104       223.4798 0.000000       0.000000 417.4220 9.128775 ?        ?        0.000000       9.128775 
1 1 1 2   30 7  f 187.5594 9.654101 1039.151       105.8370 1041.760       112.2326 1018.202       318.0664 187.7108 10.23351 179.6880 31.31997 8.022858       32.94943 
1 1 1 2   30 8  o 313.0367 9.643188 2889.740       176.8269 3008.569       204.0605 2531.544       354.2878 319.1634 10.91780 289.8976 20.98019 29.26581       23.65094 
1 1 1 2   30 9  o 229.8979 11.14071 1563.179       149.7627 1563.179       149.7627 0.000000       0.000000 229.8979 11.14071 ?        ?        0.000000       11.14071 
1 1 1 2   30 10 o 246.0262 8.823614 1784.244       127.1085 1784.244       127.1085 0.000000       0.000000 246.0262 8.823614 ?        ?        0.000000       8.823614 
1 1 1 2   30 11 o 238.6173 10.30489 1681.903       143.8703 1677.603       155.2979 1707.938       382.1203 238.1637 11.14927 235.0421 28.28871 3.121597       30.40653 
1 1 1 2   30 12 o 191.7307 15.34187 1098.032       171.0741 1244.449       202.5922 734.1860       319.3632 203.7540 17.11172 150.2199 36.59313 53.53404       40.39639 
1 1 1 2   30 13 o 229.0023 8.201344 1545.396       109.9698 1556.542       119.2904 1482.321       283.7882 229.7321 8.870539 220.8618 22.21025 8.870270       23.91614 
1 1 1 2   30 14 o 81.98987 16.99559 207.5092       79.03738 240.2721       88.40013 76.95481       176.4645 88.23228 17.69968 69.74523 28.09019 18.48705       33.20146 
1 1 1 2   30 15 o 201.9563 7.759169 1202.074       91.73064 1149.277       105.7932 1362.013       184.1323 197.2653 9.169517 213.6308 14.78782 -16.36549      17.39999 
1 1 1 2   30 16 o 91.26526 13.48262 252.1557       69.99590 214.7183       83.26764 342.3301       129.2307 83.25652 17.60438 104.6845 21.75994 -21.42801      27.98944 
1 1 1 2   30 17 o 219.3261 6.612901 1415.990       84.96429 1427.500       103.8904 1392.743       147.6446 220.0127 8.065152 216.6455 11.66329 3.367203       14.18024 
1 1 1 2   30 18 f 215.9382 7.749791 1375.044       97.98624 1384.639       101.1471 1228.681       395.0416 216.6558 7.973965 193.3709 36.16295 23.28490       37.03165 
1 1 1 2   30 19 o 103.6753 11.03885 321.6190       66.08872 322.8263       66.99281 277.7939       403.6376 103.8461 11.17557 107.5437 42.76298 -3.697533      44.19916 
1 1 1 2   30 20 o 311.8989 13.31814 2898.667       243.0563 3069.189       293.5702 2527.037       433.3887 319.9821 15.69142 284.7145 26.25014 35.26761       30.58252 
1 1 1 2   30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   30 22 o 194.3038 15.92483 1139.246       179.8799 1092.999       203.7239 1302.848       383.1721 189.3323 18.58634 198.7036 34.10845 -9.371292      38.84377 
1 1 1 2   30 23 o 246.5019 14.09865 1821.949       202.9707 1542.465       231.7268 2743.049       420.6790 225.3075 17.67827 296.5154 24.40685 -71.20795      30.13661 
1 1 1 2   30 24 o 133.9911 24.61052 574.9634       186.2712 421.5859       209.6512 1149.872       405.8971 112.3176 30.87452 181.0671 39.34947 -68.74953      50.01616 
1 1 1 2   30 25 o 100.9305 26.58920 335.7749       159.5563 248.9876       176.9064 714.2554       369.4343 88.36826 29.28928 139.2990 41.85682 -50.93072      51.08675 
1 1 1 2   30 26 o 80.89020 27.41968 205.7986       154.9543 304.2383       170.1163 -273.7598      375.4754 95.34078 28.34584 71.71948 33.89700 23.62130       44.18703 
1 1 1 2   30 27 o 226.3507 7.425370 1517.188       98.43790 1535.391       101.8375 1258.118       384.1848 227.6415 7.638737 186.6932 36.39636 40.94826       37.18932 
1 1 1 2   30 28 o 74.54328 27.85704 161.5271       163.7828 103.0491       188.0551 345.2122       333.2928 70.42036 28.76365 100.6283 39.20752 -30.20795      48.62691 
1 1 1 2   30 29 o 57.59692 25.33947 -3.539884      165.7180 36.28115       185.3214 -162.4548      370.2130 63.66792 27.41249 73.12744 34.27961 -9.459522      43.89232 
1 1 1 2   30 30 o 162.9560 9.340449 794.9763       88.89256 783.7688       91.28065 1000.800       391.1766 161.6808 9.670727 155.6996 41.91573 5.981155       43.01687 
1 1 1 2   30 31 o 140.9496 10.97950 601.4432       90.04504 599.3017       93.03221 633.1934       358.2164 140.5325 11.38513 121.2392 41.67649 19.29330       43.20360 
1 1 1 2   30 32 o 103.6551 15.16982 338.4600       89.48958 342.8295       91.96346 260.5072       388.4323 104.1682 15.52684 91.44758 39.53144 12.72065       42.47137 
1 1 1 2   30 33 o 63.26812 20.81179 129.4785       89.37433 156.9239       91.94497 -340.8585      380.6258 68.62908 20.93685 65.28929 31.69385 3.339790       37.98489 
1 1 1 2   30 34 o 43.01179 19.20650 -20.07018      98.76809 9.320778       101.4341 -557.2377      433.6428 46.65089 20.18387 63.65456 31.48299 -17.00367      37.39742 
1 1 1 2   30 35 o 166.8123 11.87283 853.7247       115.3944 854.4478       118.5379 840.6311       504.4139 166.6719 12.21150 119.2425 47.67485 47.42947       49.21394 
1 1 1 2   30 36 o 66.62911 23.37675 148.4280       112.9796 165.6163       118.2922 -30.13921      381.2771 69.52570 23.94758 73.33517 34.50619 -3.809479      42.00195 
1 1 1 2   30 37 o 52.77240 22.35463 42.22872       119.6999 32.47359       127.4993 114.7243       347.5738 52.87952 22.75208 77.07384 35.06959 -24.19432      41.80351 
1 1 1 2   30 38 o 74.97988 25.50175 204.5757       134.0464 229.4352       142.0167 1.567105       405.8365 78.56508 26.24812 74.32455 35.16187 4.240524       43.87848 
1 1 1 2   30 39 o 123.5750 20.46868 522.1041       143.1559 503.7051       149.7814 716.3791       486.7086 119.9624 22.10353 105.6902 44.93614 14.27225       50.07817 
1 1 1 2   30 40 o 55.40146 24.31766 32.29408       151.8228 -24.09938      159.6181 567.7095       491.8281 52.01369 23.70510 96.48138 42.98573 -44.46769      49.08875 
1 1 1 2   31 0  f 414.4492 14.20477 5094.474       344.7575 5094.474       344.7575 0.000000       0.000000 414.4492 14.20477 ?        ?        0.000000       14.20477 
1 1 1 2   31 1  o 161.7467 12.89422 778.4379       121.3035 807.3992       140.0779 691.5974       242.5619 164.4008 14.68269 148.1592 28.95383 16.24156       32.46391 
1 1 1 2   31 2  o 141.2961 23.41492 616.3079       187.2426 645.2226       222.4930 546.1203       346.6464 143.4454 27.44677 130.5036 40.79985 12.94185       49.17268 
1 1 1 2   31 3  o 553.8001 12.73742 9067.755       413.6995 0.000000       0.000000 9067.755       413.6995 ?        ?        553.8001 12.73742 0.000000       12.73742 
1 1 1 2   31 4  o 199.3906 11.31204 1177.103       131.7380 1103.803       140.6149 1703.282       376.7433 192.8545 12.49962 234.9613 27.88300 -42.10681      30.55654 
1 1 1 2   31 5  o 298.5765 9.526264 2628.916       166.5991 2628.916       166.5991 0.000000       0.000000 298.5765 9.526264 ?        ?        0.000000       9.526264 
1 1 1 2   31 6  o 303.4543 22.64598 2785.661       400.1217 0.000000       0.000000 2785.661       400.1217 ?        ?        303.4543 22.64598 0.000000       22.64598 
1 1 1 2   31 7  o 195.0768 10.06419 1124.730       114.7530 1069.730       120.1193 1699.349       388.2605 190.1172 10.81775 234.1719 28.88214 -44.05476      30.84155 
1 1 1 2   31 8  o 43.90543 20.11203 -78.17908      116.8242 -78.17908      116.8242 0.000000       0.000000 43.90543 20.11203 ?        ?        0.000000       20.11203 
1 1 1 2   31 9  o 87.74784 22.57036 240.5891       116.8078 240.5891       116.8078 0.000000       0.000000 87.74784 22.57036 ?        ?        0.000000       22.57036 
1 1 1 2   31 10 o 138.2561 12.48375 569.7914       100.1338 569.7914       100.1338 0.000000       0.000000 138.2561 12.48375 ?        ?        0.000000       12.48375 
1 1 1 2   31 11 o 172.3354 12.37473 882.8746       124.2396 882.8746       124.2396 0.000000       0.000000 172.3354 12.37473 ?        ?        0.000000       12.37473 
1 1 1 2   31 12 o 415.0423 8.181310 5071.430       199.1433 5113.504       221.0254 4889.947       459.0412 416.5765 9.046839 403.4043 19.46003 13.17218       21.46015 
1 1 1 2   31 13 o 128.4703 12.11457 492.5659       90.19927 516.5419       99.21805 378.3794       216.5260 131.4083 13.04621 108.9191 31.87466 22.48916       34.44122 
1 1 1 2   31 14 o 187.5594 8.645851 1038.708       94.84783 1078.870       107.6060 898.8291       200.8197 191.0015 9.637288 171.7040 20.33668 19.29752       22.50462 
1 1 1 2   31 15 o 75.76864 17.76954 178.6766       77.58624 142.1015       86.00617 338.5162       179.7955 68.08856 20.13267 102.9494 28.70451 -34.86081      35.06099 
1 1 1 2   31 16 o 173.2533 7.898331 886.0448       80.04303 855.4007       92.90820 974.2828       157.6551 169.9972 9.354900 180.1878 15.05624 -10.19058      17.72582 
1 1 1 2   31 17 o 219.9015 6.896920 1424.585       88.83756 1351.861       105.2020 1605.336       165.8537 213.9684 8.399787 232.3344 12.21489 -18.36597      14.82430 
1 1 1 2   31 18 o 176.6831 8.273367 922.4542       85.49096 907.7363       87.25336 1275.784       427.5121 175.2249 8.516050 194.5555 38.82867 -19.33061      39.75159 
1 1 1 2   31 19 o 303.3288 7.398410 2710.534       131.6141 2698.229       137.5652 2843.585       452.3691 302.4716 7.761261 302.1135 25.77726 0.3581238      26.92033 
1 1 1 2   31 20 o 238.4597 14.06566 1702.196       195.8359 1473.209       219.8569 2581.684       430.8739 220.6847 17.12085 287.3902 25.83952 -66.70546      30.99684 
1 1 1 2   31 21 o 208.7545 17.27014 1322.197       209.5474 1084.446       240.1527 2080.715       428.9531 186.7855 22.36689 254.9928 29.21006 -68.20732      36.79002 
1 1 1 2   31 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   31 23 o 230.9076 13.83841 1602.893       186.5425 1692.562       209.9517 1266.711       406.5227 236.7050 15.20422 190.9079 37.64706 45.79712       40.60135 
1 1 1 2   31 24 o 106.2695 25.55591 372.0335       157.3151 349.8602       174.7617 466.7488       361.1952 102.2640 28.21925 115.3223 41.65447 -13.05821      50.31323 
1 1 1 2   31 25 o 131.5716 20.94120 551.0231       156.1793 569.9087       173.6131 470.9021       357.5934 132.7561 23.13931 113.9649 41.40667 18.79119       47.43353 
1 1 1 2   31 26 o 242.2401 13.72552 1779.873       194.1980 1829.516       225.7752 1638.699       380.7357 244.2694 15.84553 218.9291 30.47829 25.34030       34.35123 
1 1 1 2   31 27 o 147.3228 20.31406 693.6932       170.8493 832.6393       193.2150 195.5964       365.8258 161.2019 20.93087 91.11200 38.85532 70.08987       44.13431 
1 1 1 2   31 28 o 82.52118 28.25819 227.1767       164.6412 260.7779       182.5339 80.55144       381.3035 87.33669 29.75777 84.68903 37.78272 2.647652       48.09427 
1 1 1 2   31 29 o 207.2634 14.12323 1317.223       170.6494 1265.941       190.3178 1527.571       385.4481 201.7823 16.21871 204.9993 33.19404 -3.217010      36.94443 
1 1 1 2   31 30 o 214.9518 14.38925 1423.751       180.3520 1522.146       205.9470 1100.054       373.5402 221.0430 15.99468 165.0053 39.18644 56.03777       42.32501 
1 1 1 2   31 31 o 73.65416 27.35475 173.4415       157.4551 278.9591       173.4597 -320.5004      375.2963 87.89172 28.99747 65.79759 31.82869 22.09412       43.05715 
1 1 1 2   31 32 o 111.1163 12.27757 380.2542       78.67663 364.8037       80.83686 657.8007       342.6150 108.5206 12.95695 120.7556 40.77301 -12.23501      42.78225 
1 1 1 2   31 33 o 127.0277 13.53805 501.8950       99.30450 513.3745       102.4558 323.8489       403.4973 128.3283 13.83150 92.90217 40.22544 35.42612       42.53701 
1 1 1 2   31 34 o 100.7554 19.23794 338.1935       109.5334 300.9932       113.2445 878.0276       431.3944 93.81517 21.09577 127.6808 45.59550 -33.86565      50.23924 
1 1 1 2   31 35 o 98.02436 20.93240 329.3451       116.6783 330.2259       121.5229 318.9549       417.3937 97.58756 21.78526 89.91342 39.85550 7.674141       45.42090 
1 1 1 2   31 36 o 53.78925 22.52150 52.00982       119.2598 41.00989       125.0328 162.9444       397.0661 53.39198 22.74079 81.28788 37.17668 -27.89590      43.58037 
1 1 1 2   31 37 o 48.53709 21.51763 -0.4515101     121.7024 9.506877       127.9640 -94.80168      393.8807 50.46485 22.23179 70.37297 33.66936 -19.90812      40.34697 
1 1 1 2   31 38 o 95.77621 23.20172 330.5295       128.9345 329.1758       134.6825 345.3819       446.1013 94.82645 24.15436 88.35709 40.01616 6.469360       46.74105 
1 1 1 2   31 39 o 82.91811 26.74071 264.9823       147.9289 262.5357       154.9336 290.2187       497.5999 82.18327 27.41496 85.52254 39.97710 -3.339272      48.47421 
1 1 1 2   32 0  o 464.8185 8.705079 6361.265       237.3049 6114.835       264.8773 7363.502       534.1751 455.4529 9.916326 496.3229 18.38315 -40.87003      20.88717 
1 1 1 2   32 1  o 479.6102 10.28202 6783.413       289.2126 6783.413       289.2126 0.000000       0.000000 479.6102 10.28202 ?        ?        0.000000       10.28202 
1 1 1 2   32 2  o 192.5528 13.70896 1103.573       153.7995 1103.573       153.7995 0.000000       0.000000 192.5528 13.70896 ?        ?        0.000000       13.70896 
1 1 1 2   32 3  o 219.4214 10.83060 1424.154       138.9433 1490.631       149.4348 999.9781       377.4767 224.3940 11.39235 175.1287 37.85735 49.26532       39.53434 
1 1 1 2   32 4  o 221.5088 15.05281 1463.033       194.3888 1600.146       225.2676 1063.211       384.6740 231.2646 16.72176 180.8009 37.50853 50.46370       41.06711 
1 1 1 2   32 5  o 300.9995 9.305094 2671.981       164.0647 2671.981       164.0647 0.000000       0.000000 300.9995 9.305094 ?        ?        0.000000       9.305094 
1 1 1 2   32 6  o 111.2188 17.26216 377.0141       108.9480 326.3688       113.8964 922.1486       373.6733 102.7781 19.61082 167.4384 38.81126 -64.66027      43.48446 
1 1 1 2   32 7  o 292.7874 8.402773 2526.010       144.1372 2671.210       157.9572 1803.465       352.3624 300.9929 8.958110 242.4803 25.14224 58.51260       26.69045 
1 1 1 2   32 8  o 153.6400 15.23995 708.2794       135.5135 708.2794       135.5135 0.000000       0.000000 153.6400 15.23995 ?        ?        0.000000       15.23995 
1 1 1 2   32 9  o 108.8165 19.05495 364.5386       117.1768 364.5386       117.1768 0.000000       0.000000 108.8165 19.05495 ?        ?        0.000000       19.05495 
1 1 1 2   32 10 f 120.5273 14.32734 437.2587       99.29524 437.2587       99.29524 0.000000       0.000000 120.5273 14.32734 ?        ?        0.000000       14.32734 
1 1 1 2   32 11 o 257.7046 8.202800 1957.882       123.8173 1846.147       129.7914 3088.511       412.8668 250.1229 8.861936 318.7800 22.22268 -68.65706      23.92450 
1 1 1 2   32 12 o 93.54742 20.86512 274.0202       111.5582 286.8850       117.5215 156.8190       354.7163 95.63335 21.47987 96.00544 39.39221 -0.3720856     44.86792 
1 1 1 2   32 13 o 266.0287 8.900976 2089.420       138.6770 2103.482       165.6546 2056.484       253.5322 266.5432 10.61831 261.7402 16.60183 4.802917       19.70709 
1 1 1 2   32 14 o 180.2601 8.959043 960.9371       94.41666 878.0194       104.8428 1316.732       217.1777 172.0222 10.44128 208.6761 17.91898 -36.65387      20.73909 
1 1 1 2   32 15 o 179.4511 8.745368 952.1977       91.76244 911.6330       102.9509 1108.985       202.4005 175.3423 10.05350 191.1737 18.27448 -15.83141      20.85736 
1 1 1 2   32 16 o 180.5056 8.482677 963.1570       89.54834 1000.555       103.4240 851.1572       178.9801 183.7742 9.629512 167.0828 18.57893 16.69139       20.92616 
1 1 1 2   32 17 o 70.25867 15.90456 153.5244       64.00337 40.70948       76.41259 418.7473       117.1621 47.45264 18.68870 116.7544 17.66183 -69.30176      25.71396 
1 1 1 2   32 18 o 456.6686 8.504345 6154.646       227.7679 6165.964       252.8598 6105.958       524.4462 456.7503 9.439532 448.0221 20.01005 8.728180       22.12480 
1 1 1 2   32 19 o 51.90716 24.50553 -195.5551      195.2230 -78.44199      224.4848 -558.9847      395.4523 63.46801 28.59847 66.57502 32.31502 -3.107006      43.15244 
1 1 1 2   32 20 o 263.9042 14.58349 2092.552       224.8363 1958.309       265.4569 2433.292       422.9210 253.7044 17.95688 277.4409 26.30618 -23.73645      31.85067 
1 1 1 2   32 21 o 61.04830 26.48363 -0.3949555     175.5804 -10.42143      195.6932 40.99858       397.6198 63.37895 27.71933 89.59386 39.33900 -26.21491      48.12399 
1 1 1 2   32 22 o 155.7967 18.79586 752.2220       168.2734 647.6785       188.1022 1171.136       376.5371 142.3840 23.33341 183.3315 36.30507 -40.94759      43.15676 
1 1 1 2   32 23 o 145.2534 21.16140 668.7495       174.9739 473.5983       198.1768 1358.815       372.6598 118.1950 28.84681 198.8565 33.11799 -80.66156      43.91970 
1 1 1 2   32 24 o 174.4938 16.92653 940.8889       171.0469 1072.848       201.8063 604.2578       322.3235 185.3386 18.82699 126.2807 39.32145 59.05789       43.59623 
1 1 1 2   32 25 o 154.8153 18.92074 755.4758       168.2263 713.3899       190.3858 905.3541       359.2822 148.2626 22.60970 153.1010 39.68868 -4.838333      45.67701 
1 1 1 2   32 26 o 148.9912 20.00210 709.2863       170.3667 706.4037       191.2900 720.3428       374.6391 146.8516 22.96229 131.9538 42.55531 14.89784       48.35516 
1 1 1 2   32 27 o 176.3058 15.92485 964.4063       162.8882 897.8063       179.1231 1282.653       391.5583 168.5297 18.42251 183.1321 37.71359 -14.60240      41.97266 
1 1 1 2   32 28 o 42.72545 20.56658 -191.1892      152.0976 -187.0533      166.7308 -211.6970      371.2701 45.61459 21.84590 70.35837 33.38680 -24.74378      39.89890 
1 1 1 2   32 29 o 72.64713 27.15872 163.1056       155.7042 96.88301       169.1551 530.5238       398.4396 66.29839 27.20284 110.1809 42.88574 -43.88247      50.78564 
1 1 1 2   32 30 o 61.91325 25.91505 70.10049       157.8347 38.41762       174.9915 208.3215       365.5037 61.11346 26.47582 87.06242 37.98397 -25.94896      46.30066 
1 1 1 2   32 31 o 63.11285 26.65635 71.72257       169.3749 160.2317       193.2535 -221.5111      351.7552 73.78047 29.50568 66.26383 31.73413 7.516640       43.33175 
1 1 1 2   32 32 o 216.2341 14.98188 1463.290       188.8197 1567.331       214.4494 1104.400       398.2932 222.2809 16.56944 154.7218 42.56490 67.55914       45.67622 
1 1 1 2   32 33 o 57.01501 25.27229 11.60902       167.8181 48.67755       187.8957 -134.5648      373.1204 62.32172 27.21120 69.59177 33.15005 -7.270054      42.88794 
1 1 1 2   32 34 o 130.4963 25.60458 613.9960       188.9574 723.5641       210.3077 155.0651       430.4142 141.1378 26.37708 82.67998 38.13947 58.45778       46.37208 
1 1 1 2   32 35 o 147.4668 22.91395 756.4074       191.7421 732.1285       217.7776 840.1260       404.3991 140.4548 27.42220 123.6171 44.14567 16.83779       51.96939 
1 1 1 2   32 36 o 55.02185 22.52921 68.73333       115.7204 39.51482       119.6476 492.0307       455.4049 52.18684 22.23717 95.88657 42.10135 -43.69974      47.61319 
1 1 1 2   32 37 o 127.8201 19.64892 552.4752       142.5869 580.0031       146.0528 -6.969292      658.4182 131.0450 19.60527 81.86821 40.15810 49.17676       44.68826 
1 1 1 2   32 38 o 59.94198 25.13511 84.29947       148.8846 98.18831       153.7253 -125.8712      597.9964 61.79508 25.69803 76.91225 37.83560 -15.11717      45.73753 
1 1 1 2   33 0  o 262.2298 9.605844 2030.394       147.4802 2105.655       158.7752 1557.169       398.1363 266.9439 10.16028 222.0883 31.44564 44.85564       33.04633 
1 1 1 2   33 1  f 102.9520 22.38426 331.8676       131.2921 313.5990       138.1163 503.1522       422.9139 99.77615 23.91473 127.5289 45.18613 -27.75279      51.12436 
1 1 1 2   33 2  o 153.5064 21.50647 722.9512       188.3134 596.7417       216.1125 1121.044       383.8188 137.2451 27.80326 185.4860 36.58328 -48.24094      45.94951 
1 1 1 2   33 3  o 336.9103 12.27078 3363.684       242.0533 3581.407       289.9275 2862.809       439.7457 347.0218 14.27613 305.8653 24.72495 41.15646       28.55050 
1 1 1 2   33 4  o 99.49222 21.11986 308.9290       119.4186 337.3692       125.4538 34.49185       389.7073 104.0306 21.28047 92.06883 39.69707 11.96178       45.04126 
1 1 1 2   33 5  o 200.0119 10.84692 1185.187       126.7606 1179.645       133.6315 1234.953       400.4745 199.4216 11.47423 194.7732 36.39660 4.648361       38.16241 
1 1 1 2   33 6  o 205.5912 12.59944 1256.598       151.1873 1344.012       165.1013 802.5728       376.2686 212.4809 13.31585 154.5316 40.88919 57.94934       43.00276 
1 1 1 2   33 7  o 173.3355 11.23973 891.9835       113.6439 878.3300       118.8943 1036.410       386.6891 171.8771 11.86771 176.8232 38.39116 -4.946030      40.18362 
1 1 1 2   33 8  o 48.69316 20.37934 15.74185       97.59058 36.49928       101.9830 -209.7785      336.1505 52.31408 21.25145 72.96375 33.67456 -20.64966      39.81960 
1 1 1 2   33 9  f 197.1873 16.15011 1168.508       185.1343 1078.953       214.8038 1427.185       365.0704 188.2973 19.74454 212.1878 30.18688 -23.89052      36.07069 
1 1 1 2   33 10 o 292.0209 10.89562 2525.864       186.2748 2525.864       186.2748 0.000000       0.000000 292.0209 10.89562 ?        ?        0.000000       10.89562 
1 1 1 2   33 11 o 125.3567 17.19196 479.2697       123.0670 479.2697       123.0670 0.000000       0.000000 125.3567 17.19196 ?        ?        0.000000       17.19196 
1 1 1 2   33 12 o 149.7425 11.38637 667.9272       99.24599 698.9748       106.6631 467.6891       270.8777 153.0781 11.97620 119.0637 35.85589 34.01443       37.80310 
1 1 1 2   33 13 o 182.8962 9.565820 990.8506       102.2504 993.6459       111.9379 976.7657       251.2696 182.9727 10.47512 176.6250 24.95113 6.347763       27.06080 
1 1 1 2   33 14 o 154.3091 10.00317 706.9897       90.03951 682.2338       100.2860 809.9033       204.4738 151.2937 11.38590 161.5768 22.16110 -10.28311      24.91492 
1 1 1 2   33 15 o 162.4200 9.718214 782.6292       92.14801 761.0645       103.7199 863.4171       200.7540 159.8692 11.13188 167.2998 20.91635 -7.430634      23.69415 
1 1 1 2   33 16 o 94.37173 15.10403 272.7388       80.77803 300.0209       91.88226 179.8884       169.5058 98.72565 16.44742 79.86573 28.57410 18.85992       32.96964 
1 1 1 2   33 17 o 150.4087 8.868878 670.6533       77.88614 653.5383       92.73520 711.6326       143.4956 148.0930 10.75045 153.0698 16.23157 -4.976837      19.46885 
1 1 1 2   33 18 o 284.0882 7.744596 2382.958       128.9131 2349.009       134.2979 2781.022       459.8670 281.9572 8.129972 296.2979 26.75172 -14.34070      27.95981 
1 1 1 2   33 19 o 118.6513 9.402831 419.4081       64.89610 427.4388       65.67873 88.44423       421.6342 119.7843 9.425069 94.12667 40.93489 25.65765       42.00592 
1 1 1 2   33 20 o 118.6950 27.80641 467.7311       190.1541 336.2414       215.8792 922.9127       401.6587 100.4520 32.29528 157.7050 42.48143 -57.25304      53.36344 
1 1 1 2   33 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   33 22 o 117.0671 26.82922 460.6471       180.2499 336.0981       202.0369 946.4988       399.0363 98.93920 31.17875 156.1091 42.46678 -57.16993      52.68341 
1 1 1 2   33 23 o 100.3214 27.40495 344.3142       165.7728 181.8899       186.5861 952.9399       361.1844 78.80293 29.67345 158.2805 39.13288 -79.47759      49.11106 
1 1 1 2   33 24 o 168.3438 15.74087 875.1052       153.6071 740.1042       168.7903 1525.842       370.5797 152.8159 19.26031 209.2048 31.15240 -56.38896      36.62556 
1 1 1 2   33 25 o 170.7947 16.22088 906.2230       160.5319 916.3618       177.4504 860.5291       376.7128 170.6739 17.99869 144.4308 41.97991 26.24307       45.67566 
1 1 1 2   33 26 o 122.0703 23.14310 496.3716       159.6228 522.4568       174.6078 363.6683       393.8285 124.2329 24.83372 100.9812 41.47852 23.25174       48.34440 
1 1 1 2   33 27 o 100.3597 26.22639 352.4119       156.0491 393.0560       171.9614 162.7857       371.4336 105.2813 27.54018 86.74769 38.05750 18.53358       46.97696 
1 1 1 2   33 28 o 58.43336 25.49892 19.93392       164.7901 39.89638       190.6857 -38.95600      327.5152 63.38288 27.54702 72.37599 33.34431 -8.993111      43.25138 
1 1 1 2   33 29 o 82.92357 29.25976 243.7900       177.1812 375.0201       202.6821 -181.5005      364.8727 99.28855 31.22030 69.11169 32.88184 30.17686       45.34229 
1 1 1 2   33 30 o 218.6136 15.80258 1502.416       201.2401 1489.650       231.0918 1542.474       409.3607 215.0493 18.50269 195.2264 37.10947 19.82288       41.46640 
1 1 1 2   33 31 o 170.0403 19.27807 946.4450       188.8615 1055.361       214.6111 572.5127       397.6521 178.0154 20.95737 107.8182 42.58054 70.19715       47.45854 
1 1 1 2   33 32 o 77.09042 29.40686 207.3736       184.6680 257.6152       207.3895 15.03782       405.7744 83.02847 31.27976 76.92070 36.00310 6.107773       47.69325 
1 1 1 2   33 33 o 46.01770 21.90965 -140.2787      162.5737 -127.3824      175.4559 -218.5539      432.2621 48.73348 23.07423 70.03043 33.94364 -21.29695      41.04377 
1 1 1 2   33 34 o 85.07540 28.67324 278.7202       169.4397 140.8559       185.1172 990.7822       420.7069 69.33495 28.45404 133.9463 45.18139 -64.61137      53.39466 
1 1 1 2   33 35 o 52.82239 24.45690 -58.05123      179.3986 -23.85365      193.8013 -262.8131      474.2241 56.76034 25.96425 70.02512 34.29330 -13.26479      43.01364 
1 1 1 2   33 36 o 59.36189 26.56431 24.02102       190.0164 107.4971       202.6811 -582.0041      546.1070 66.82002 28.71736 67.11929 33.54247 -0.2992706     44.15636 
1 1 1 2   33 37 o 46.55806 22.75936 -260.1377      206.0575 -395.5211      220.5890 667.0461       577.2765 44.12196 21.93132 98.15606 44.86660 -54.03410      49.93991 
1 1 1 2   34 0  o 168.1025 13.55599 844.6223       132.5135 834.0345       139.7364 939.1682       417.5710 166.8313 14.42327 165.5538 42.72141 1.277496       45.09045 
1 1 1 2   34 1  o 180.1129 13.04548 967.6009       136.8680 894.8173       144.1913 1630.021       434.9998 172.8593 14.35249 224.8085 34.05885 -51.94925      36.95943 
1 1 1 2   34 2  o 252.3259 9.848806 1882.736       145.4659 1931.696       154.5368 1502.033       430.9287 255.4832 10.33514 214.8036 35.44184 40.67957       36.91801 
1 1 1 2   34 3  o 234.9553 29.86527 1744.586       402.2440 0.000000       0.000000 1744.586       402.2440 ?        ?        234.9553 29.86527 0.000000       29.86527 
1 1 1 2   34 4  o 325.9801 8.929880 3136.549       170.5603 3233.318       185.5500 2609.175       433.1623 330.8133 9.573802 290.3801 25.70017 40.43323       27.42547 
1 1 1 2   34 5  o 118.7481 16.81155 429.9719       113.8107 318.9993       118.4643 1759.772       410.0842 100.9880 20.69773 235.4650 30.40492 -134.4770      36.78118 
1 1 1 2   34 6  o 257.7740 11.92571 1973.591       179.8024 1923.464       195.8012 2243.266       454.1526 254.1137 13.18330 266.5970 29.54185 -12.48326      32.34997 
1 1 1 2   34 7  o 240.4871 9.546315 1710.487       134.3737 1789.291       143.3650 1140.695       385.5031 245.8804 9.962517 185.3207 36.76768 60.55966       38.09349 
1 1 1 2   34 8  o 209.2950 9.711444 1296.791       118.8797 1266.744       124.5800 1602.762       397.5525 206.7268 10.30797 223.7511 31.13804 -17.02426      32.79987 
1 1 1 2   34 9  o 186.2985 11.07581 1031.343       120.4677 1031.343       120.4677 0.000000       0.000000 186.2985 11.07581 ?        ?        0.000000       11.07581 
1 1 1 2   34 10 o 160.8568 14.27061 777.2686       133.2315 777.2686       133.2315 0.000000       0.000000 160.8568 14.27061 ?        ?        0.000000       14.27061 
1 1 1 2   34 11 o 277.2852 8.397163 2270.169       136.3984 2227.462       144.1078 2637.580       422.6813 274.5313 8.962468 291.3918 24.97407 -16.86050      26.53357 
1 1 1 2   34 12 o 324.0553 8.305676 3099.850       157.7199 2999.573       166.6769 3958.339       487.6894 318.6030 8.929014 358.3542 23.33179 -39.75116      24.98199 
1 1 1 2   34 13 o 213.1586 9.301023 1345.213       115.9945 1289.565       122.4775 1829.511       361.3155 208.5285 10.04430 241.4732 25.91848 -32.94476      27.79669 
1 1 1 2   34 14 o 65.65098 21.00697 129.8703       91.41789 56.31785       101.3217 451.8947       212.0059 54.60577 21.51586 116.9633 30.57088 -62.35756      37.38329 
1 1 1 2   34 15 o 247.6267 7.856400 1810.944       113.9519 1858.313       130.8314 1662.080       231.9330 250.5930 8.916312 234.1646 17.00435 16.42845       19.20022 
1 1 1 2   34 16 o 250.9659 7.847994 1860.754       115.3692 1913.580       136.4476 1728.286       216.0700 254.1641 9.168815 239.2917 15.47935 14.87241       17.99104 
1 1 1 2   34 17 o 214.1182 7.732455 1355.247       96.94106 1385.280       116.3066 1286.904       175.4507 216.1242 9.196963 206.5364 14.57832 9.587784       17.23692 
1 1 1 2   34 18 o 136.8972 8.027663 555.8286       64.16882 537.2429       80.76120 587.6529       105.6801 134.0783 10.35063 139.5123 13.06817 -5.433975      16.67071 
1 1 1 2   34 19 o 45.44636 15.79384 57.10525       51.50028 49.81248       51.97857 447.9199       380.5078 43.81879 15.80507 113.1987 42.42798 -69.37988      45.27620 
1 1 1 2   34 20 o 221.6182 14.79529 1494.275       191.1987 1531.925       222.9337 1389.548       371.8109 223.0214 17.17652 200.4926 32.75043 22.52878       36.98140 
1 1 1 2   34 21 o 102.9248 25.66522 357.0761       154.3856 300.4924       169.7473 627.9346       371.3885 93.81033 28.41304 125.7654 42.45061 -31.95512      51.08184 
1 1 1 2   34 22 o 71.28220 26.35530 147.8014       145.8626 66.68105       158.9779 579.4855       366.7370 63.25900 26.20488 120.2141 42.12189 -56.95512      49.60796 
1 1 1 2   34 23 o 114.6714 25.28171 445.7747       165.4421 384.2488       185.6659 682.9369       364.5239 104.2748 29.20423 128.5605 42.01613 -24.28564      51.16877 
1 1 1 2   34 24 o 65.09304 26.58178 87.50612       160.5637 -13.93363      179.5141 493.2998       359.0435 58.60817 26.04937 110.7112 41.27070 -52.10307      48.80410 
1 1 1 2   34 25 o 141.7821 21.60943 658.6644       174.0141 493.0322       194.6838 1316.791       388.0716 117.8050 28.49273 185.0309 37.05478 -67.22585      46.74283 
1 1 1 2   34 26 o 91.14903 28.77851 298.1888       172.0510 390.5504       197.8256 11.40231       348.5909 102.7432 30.57243 76.89439 35.03943 25.84878       46.50199 
1 1 1 2   34 27 o 217.0301 14.76367 1462.339       186.7977 1521.581       217.5120 1295.875       364.6087 219.4152 17.03648 182.5936 35.32534 36.82161       39.21889 
1 1 1 2   34 28 o 127.8137 24.31446 564.0095       175.6026 559.1746       199.1654 580.8931       372.1783 124.2079 28.01112 112.0250 41.96663 12.18282       50.45613 
1 1 1 2   34 29 o 61.18717 26.22293 55.16737       168.1178 28.65885       186.3880 170.8448       389.3582 61.14356 26.88750 84.47194 37.89614 -23.32838      46.46563 
1 1 1 2   34 30 o 84.81227 28.65635 267.5019       169.2403 395.6191       187.9093 -282.8519      389.4625 101.4435 29.69561 66.36142 32.17804 35.08205       43.78648 
1 1 1 2   34 31 o 47.79183 22.58901 -123.0640      166.7804 -124.9517      181.6116 -112.9020      421.3728 49.97430 23.60595 73.10652 34.93572 -23.13222      42.16331 
1 1 1 2   34 32 f 65.22016 27.08915 107.6013       170.5211 63.76222       186.4882 331.2224       421.1890 62.79855 27.26803 89.86318 39.92351 -27.06463      48.34700 
1 1 1 2   34 33 o 62.65698 26.45294 87.11348       166.6883 121.2419       179.7890 -121.7947      444.8182 66.97227 27.81611 72.82774 35.08584 -5.855469      44.77446 
1 1 1 2   34 34 o 192.7709 17.36617 1212.925       194.2316 1146.004       210.3038 1601.227       506.5834 184.7133 19.71781 166.2279 48.78457 18.48549       52.61869 
1 1 1 2   34 35 f 190.0916 18.29083 1194.537       201.3997 1217.129       224.6874 1102.187       454.2813 189.1355 20.58796 134.1405 46.88925 54.99496       51.21002 
1 1 1 2   34 36 o 68.83361 28.86868 142.6279       196.4535 185.3228       214.1286 -84.42899      493.8034 73.37817 30.40600 73.93564 35.93911 -0.5574646     47.07594 
1 1 1 2   35 0  o 314.2196 9.011199 2916.723       165.8890 3030.971       179.8595 2265.826       429.3036 320.1641 9.589589 268.6001 27.64700 51.56403       29.26289 
1 1 1 2   35 1  o 177.9603 13.23145 946.8705       137.1079 941.8361       145.6027 986.2776       407.3635 177.2482 14.12348 168.9986 41.42662 8.249527       43.76799 
1 1 1 2   35 2  o 161.3066 23.42244 811.2354       215.1101 811.2354       215.1101 0.000000       0.000000 161.3066 23.42244 ?        ?        0.000000       23.42244 
1 1 1 2   35 3  o 293.0189 9.781082 2540.332       167.8510 2540.332       167.8510 0.000000       0.000000 293.0189 9.781082 ?        ?        0.000000       9.781082 
1 1 1 2   35 4  o 74.00322 23.59708 166.3330       115.4289 153.4343       120.6206 306.5699       397.7223 72.21912 24.19124 108.5996 42.67764 -36.38049      49.05708 
1 1 1 2   35 5  o 149.4306 14.27031 671.6929       123.5442 708.5997       129.0955 270.0307       425.8814 153.4494 14.51744 107.7419 43.55133 45.70753       45.90723 
1 1 1 2   35 6  o 147.4327 16.91574 660.7489       143.6171 646.2497       153.6198 761.3345       404.6162 145.3095 18.44089 147.1545 43.70713 -1.844971      47.43816 
1 1 1 2   35 7  o 81.27942 22.81035 208.3902       113.1454 146.7007       117.9926 913.2739       398.8486 70.84861 23.92747 161.7594 41.75803 -90.91080      48.12751 
1 1 1 2   35 8  f 179.9576 11.09215 963.4064       116.4986 1041.920       122.5481 226.5569       375.4262 187.1430 11.21709 100.9907 40.86577 86.15228       42.37729 
1 1 1 2   35 9  o 112.9940 21.09480 400.4154       134.6518 400.4154       134.6518 0.000000       0.000000 112.9940 21.09480 ?        ?        0.000000       21.09480 
1 1 1 2   35 10 o 140.2777 13.21087 591.1980       107.4055 586.6790       112.0072 642.8290       378.6015 139.5670 13.86723 135.5185 42.67764 4.048416       44.87405 
1 1 1 2   35 11 o 297.5670 8.398602 2616.062       146.4225 2619.660       156.6852 2591.267       411.3438 297.6106 8.987255 288.1980 24.57091 9.412628       26.16296 
1 1 1 2   35 12 o 157.8465 12.34960 746.0883       113.4147 683.8843       117.3140 1635.431       443.5836 150.8007 13.40419 220.9161 35.43473 -70.11543      37.88525 
1 1 1 2   35 13 o 171.8749 10.77910 880.1631       108.1069 868.2045       117.2112 948.2932       279.7691 170.4326 11.79927 170.6685 28.98669 -0.2358551     31.29618 
1 1 1 2   35 14 o 89.11131 19.55835 251.4033       99.40478 304.0378       107.2122 -71.00701      265.3468 98.27708 19.29025 69.16410 31.13515 29.11298       36.62665 
1 1 1 2   35 15 o 39.31353 18.12524 -68.46863      97.02264 -24.12576      112.7993 -194.5656      190.2159 47.11163 20.80874 50.67306 24.00220 -3.561424      31.76648 
1 1 1 2   35 16 o 98.24491 14.90635 297.1951       83.19481 253.2429       94.51260 448.4486       175.3284 89.42209 18.62724 116.5356 26.28191 -27.11352      32.21355 
1 1 1 2   35 17 f 77.78622 15.50947 189.4629       68.27042 130.2396       79.85215 350.3656       131.6199 64.44611 19.48093 103.9613 22.25872 -39.51517      29.57968 
1 1 1 2   35 18 o 65.07725 14.36464 132.8777       53.35482 39.83143       70.30448 259.2520       81.93375 45.46559 17.92003 91.06812 15.92002 -45.60253      23.97028 
1 1 1 2   35 19 o 144.9923 8.194759 625.4039       69.40011 640.1368       70.51930 172.2721       391.0894 146.6863 8.230252 92.07565 39.73412 54.61066       40.57755 
1 1 1 2   35 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   35 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   35 22 o 145.2865 19.46718 675.1833       161.7037 537.8724       177.7084 1336.136       389.8885 126.1898 24.89690 188.1325 36.65483 -61.94264      44.31063 
1 1 1 2   35 23 o 68.76714 27.02704 123.9790       159.5201 51.05759       176.6707 445.8049       371.1483 63.33303 27.00518 106.0405 41.35767 -42.70750      49.39369 
1 1 1 2   35 24 o 119.0290 22.40726 473.1241       150.6818 417.3678       166.9623 717.9218       349.8448 109.1392 26.37971 129.3547 41.06170 -20.21549      48.80525 
1 1 1 2   35 25 f 101.3867 25.46280 361.0860       151.1765 453.9328       170.5233 20.14747       326.7668 113.5131 26.15279 75.02949 34.08622 38.48361       42.96323 
1 1 1 2   35 26 o 135.2727 19.86768 599.6314       152.9252 692.6053       174.6040 293.4116       316.8769 144.4977 21.23665 90.52010 37.19652 53.97764       42.83196 
1 1 1 2   35 27 o 81.72395 27.01971 238.1502       150.5795 190.5102       167.8566 434.4911       340.7675 75.61213 28.21237 100.4908 39.49998 -24.87870      48.54057 
1 1 1 2   35 28 o 59.63177 25.50196 52.50032       158.3826 71.16602       174.6103 -34.14922      376.2104 63.18087 26.89069 74.28198 34.73509 -11.10111      43.92762 
1 1 1 2   35 29 f 69.40189 27.56924 144.5471       167.6070 179.2366       183.3344 -32.01195      413.6088 74.03418 29.01099 75.75790 35.73624 -1.723724      46.02951 
1 1 1 2   35 30 o 57.03374 25.98202 -25.68485      191.4973 -145.6067      214.3247 449.0276       426.4209 53.32570 25.32244 96.60192 41.58705 -43.27622      48.68992 
1 1 1 2   35 31 o 79.35867 30.31382 233.3260       196.4089 299.3077       221.4899 -9.519590      424.9202 86.40883 32.37378 75.71284 35.86610 10.69598       48.31604 
1 1 1 2   35 32 o 82.18600 30.74471 263.7022       199.6023 264.0489       229.2818 262.6169       405.6364 82.22779 32.37645 85.06724 38.37692 -2.839447      50.20978 
1 1 1 2   35 33 o 77.49877 30.71442 223.5179       207.5747 335.4317       230.9040 -247.8743      473.8936 88.68530 33.08939 70.06392 34.30583 18.62138       47.66338 
1 1 1 2   35 34 o 155.0174 25.10862 874.0039       220.4710 1026.464       251.1063 361.0418       460.5975 166.1817 26.66630 88.54938 40.32208 77.63231       48.34213 
1 1 1 2   36 0  o 77.59509 31.27382 112.7481       218.8990 112.7481       218.8990 0.000000       0.000000 77.59509 31.27382 ?        ?        0.000000       31.27382 
1 1 1 2   36 1  o 311.8152 8.779394 2873.230       160.3909 2968.300       176.2467 2415.034       386.9238 316.7288 9.498915 279.0114 23.87499 37.71747       25.69522 
1 1 1 2   36 2  o 112.6611 30.85950 417.9715       209.8710 417.9715       209.8710 0.000000       0.000000 112.6611 30.85950 ?        ?        0.000000       30.85950 
1 1 1 2   36 3  o 198.6805 11.97054 1176.761       138.8354 1176.761       138.8354 0.000000       0.000000 198.6805 11.97054 ?        ?        0.000000       11.97054 
1 1 1 2   36 4  o 235.2481 10.56863 1642.793       145.4404 1642.793       145.4404 0.000000       0.000000 235.2481 10.56863 ?        ?        0.000000       10.56863 
1 1 1 2   36 5  o 146.9753 14.43367 651.6459       122.8118 692.1710       129.7256 301.5711       381.2799 151.4113 14.79755 106.2257 41.77361 45.18562       44.31706 
1 1 1 2   36 6  o 248.1683 29.32785 1974.623       418.6142 0.000000       0.000000 1974.623       418.6142 ?        ?        248.1683 29.32785 0.000000       29.32785 
1 1 1 2   36 7  o 285.8945 9.004919 2418.287       150.7975 2335.888       159.2700 3131.547       468.5926 280.7805 9.686513 315.9898 25.50198 -35.20932      27.27966 
1 1 1 2   36 8  o 308.3482 8.382402 2809.998       151.4458 2675.122       160.8691 3861.123       449.0898 300.6310 9.134663 353.8939 21.74259 -53.26294      23.58352 
1 1 1 2   36 9  o 229.8322 10.45915 1569.902       140.6106 1569.902       140.6106 0.000000       0.000000 229.8322 10.45915 ?        ?        0.000000       10.45915 
1 1 1 2   36 10 o 95.10851 21.34560 288.4080       116.1331 288.4080       116.1331 0.000000       0.000000 95.10851 21.34560 ?        ?        0.000000       21.34560 
1 1 1 2   36 11 o 334.1684 8.246028 3299.998       161.6072 3233.401       174.7384 3693.810       424.9174 330.4076 9.025988 345.7207 21.05684 -15.31305      22.90980 
1 1 1 2   36 12 o 134.4597 13.96462 548.0469       108.5194 546.3900       112.8021 568.6332       397.6084 134.0593 14.58197 125.2979 43.86219 8.761322       46.22256 
1 1 1 2   36 13 o 207.2803 9.286016 1276.547       112.5989 1369.473       125.0745 879.2047       258.6314 214.4956 9.969871 163.3602 28.00229 51.13538       29.72417 
1 1 1 2   36 14 o 37.83726 17.39339 -58.33526      88.42714 -68.59441      96.59307 -5.239757      219.7451 39.04613 18.03162 66.38211 29.19269 -27.33598      34.31257 
1 1 1 2   36 15 f 191.4078 8.940111 1089.589       100.0810 1185.964       115.5650 800.4957       200.1542 199.3950 9.913471 158.2669 22.17107 41.12810       24.28648 
1 1 1 2   36 16 o 83.86032 16.45935 221.9120       78.05888 223.6452       87.39285 215.0737       173.5919 83.60177 18.33040 82.29404 28.96836 1.307732       34.28075 
1 1 1 2   36 17 f 233.1590 7.989908 1613.695       109.0943 1717.765       138.0810 1440.822       177.9649 239.8249 9.838121 217.5613 14.02236 22.26360       17.12937 
1 1 1 2   36 18 o 56.40082 15.89670 100.4407       54.82906 42.93829       69.03868 198.6531       90.22625 45.54364 17.81567 78.10792 19.70177 -32.56427      26.56234 
1 1 1 2   36 19 o 226.3995 7.321207 1520.214       97.08167 1548.321       100.3054 1103.904       386.0327 228.4222 7.497633 167.6249 39.85456 60.79736       40.55367 
1 1 1 2   36 20 o 52.80791 23.51087 -22.14059      146.8593 -47.93133      157.0389 157.6670       414.6478 52.52770 23.77045 90.10960 39.84399 -37.58190      46.39589 
1 1 1 2   36 21 o 115.0250 23.24563 443.5370       151.4127 408.2074       163.7750 651.4086       397.2611 108.5764 26.05280 121.9291 43.72977 -13.35268      50.90228 
1 1 1 2   36 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   36 23 f 46.16834 21.96513 -156.4317      162.7873 -218.0037      184.9223 55.56499       343.1327 46.89977 22.60160 78.19476 35.28471 -31.29499      41.90277 
1 1 1 2   36 24 o 190.9154 16.58343 1150.847       183.8402 1332.162       217.9705 704.0063       342.1820 203.8224 18.43362 125.6988 40.68142 78.12354       44.66292 
1 1 1 2   36 25 o 55.01307 24.97048 -37.53996      174.8829 -38.42521      201.2222 -34.80692      353.5628 58.54551 26.65632 73.54282 34.14837 -14.99731      43.32056 
1 1 1 2   36 26 o 92.94944 28.74156 323.2176       172.5467 381.9384       199.2027 146.7926       345.2863 99.35558 30.90831 81.06940 36.07439 18.28619       47.50458 
1 1 1 2   36 27 o 56.21459 25.32667 -14.77873      175.9905 46.70944       201.4509 -212.9563      361.6602 63.72206 27.98940 66.26148 31.84929 -2.539425      42.40028 
1 1 1 2   36 28 o 48.78968 23.06757 -125.9832      174.1659 -52.80287      198.1390 -374.6964      365.2767 56.34381 25.94987 61.30203 30.03717 -4.958218      39.69418 
1 1 1 2   36 29 o 106.8506 28.93103 441.8588       185.7143 519.7849       205.9704 103.1081       429.4410 114.9633 30.17370 80.16122 37.36077 34.80207       48.02373 
1 1 1 2   36 30 o 60.57774 26.74586 38.57011       186.1713 89.71204       204.6971 -206.2206      447.8376 66.26746 28.67189 70.74832 34.35188 -4.480858      44.74516 
1 1 1 2   36 31 o 217.8505 17.33184 1545.005       219.6147 1596.448       251.4532 1379.576       450.9211 218.1423 19.87267 160.2138 45.73442 57.92842       49.86542 
1 1 1 2   36 32 o 104.5142 32.92299 472.0493       225.2948 385.7840       254.3831 785.8621       485.1826 92.68649 34.70093 109.0494 45.52545 -16.36295      57.24265 
1 1 1 2   36 33 o 55.56643 25.87600 -60.65862      205.3094 -82.20998      237.6931 2.663939       407.4352 57.98712 27.27216 73.28552 34.83316 -15.29840      44.23935 
1 1 1 2   37 0  o 196.3043 13.08676 1155.471       149.8046 1155.471       149.8046 0.000000       0.000000 196.3043 13.08676 ?        ?        0.000000       13.08676 
1 1 1 2   37 1  o 185.9873 13.04045 1037.572       141.3401 1037.572       141.3401 0.000000       0.000000 185.9873 13.04045 ?        ?        0.000000       13.04045 
1 1 1 2   37 2  o 221.5236 11.68913 1464.042       151.3258 1464.042       151.3258 0.000000       0.000000 221.5236 11.68913 ?        ?        0.000000       11.68913 
1 1 1 2   37 3  o 104.1976 20.79877 343.7002       122.6453 252.4470       130.5423 1030.210       358.0555 88.49352 24.37747 173.0247 36.43833 -84.53118      43.84076 
1 1 1 2   37 4  o 97.28758 23.33510 305.0410       131.4281 305.0410       131.4281 0.000000       0.000000 97.28758 23.33510 ?        ?        0.000000       23.33510 
1 1 1 2   37 5  o 147.6216 15.81484 663.8120       134.7880 663.8120       134.7880 0.000000       0.000000 147.6216 15.81484 ?        ?        0.000000       15.81484 
1 1 1 2   37 6  o 85.89027 22.59860 237.2313       115.3502 222.6902       119.8685 419.2775       424.1287 83.26849 23.51692 114.6414 44.35015 -31.37294      50.19942 
1 1 1 2   37 7  o 41.46088 19.19153 -82.34212      110.3615 -93.10654      115.0686 41.21209       389.8434 41.74740 19.41751 88.38642 38.87575 -46.63902      43.45531 
1 1 1 2   37 8  o 149.1891 13.16200 671.5294       113.9823 655.1873       119.3239 841.8952       385.2704 147.0789 14.00206 150.6671 42.02232 -3.588135      44.29371 
1 1 1 2   37 9  o 67.04202 22.76050 134.1204       106.7718 134.1204       106.7718 0.000000       0.000000 67.04202 22.76050 ?        ?        0.000000       22.76050 
1 1 1 2   37 10 o 270.7576 8.901318 2175.518       141.1545 2175.518       141.1545 0.000000       0.000000 270.7576 8.901318 ?        ?        0.000000       8.901318 
1 1 1 2   37 11 o 124.1453 14.98875 472.7755       106.9242 472.7755       106.9242 0.000000       0.000000 124.1453 14.98875 ?        ?        0.000000       14.98875 
1 1 1 2   37 12 o 127.5564 13.71491 496.0378       100.9897 529.4164       108.5996 282.5995       274.6188 131.6095 14.29946 94.67004 35.92026 36.93941       38.66187 
1 1 1 2   37 13 o 232.5352 8.561535 1606.786       116.5598 1667.231       128.6249 1329.179       275.6515 236.6003 9.287609 202.8357 23.61311 33.76460       25.37397 
1 1 1 2   37 14 o 203.2300 8.872730 1229.902       105.4989 1302.792       117.5408 927.8486       239.2751 208.8994 9.619853 167.7285 25.09429 41.17087       26.87499 
1 1 1 2   37 15 o 130.2587 11.67267 513.6016       88.22743 459.2947       98.47131 734.6341       198.6601 122.2912 13.98074 149.7641 23.38158 -27.47293      27.24260 
1 1 1 2   37 16 f 190.5147 8.516543 1081.066       94.91680 1167.814       109.4537 818.0060       190.6024 197.6682 9.469084 159.5380 20.87104 38.13020       22.91864 
1 1 1 2   37 17 o 39.94216 16.94303 8.639518       68.92040 -17.29238      78.70448 93.92023       142.7275 39.12735 17.32715 63.80804 25.41028 -24.68070      30.75569 
1 1 1 2   37 18 o 49.23986 16.49238 72.07019       56.06260 51.48378       69.20564 111.3700       95.61945 46.94119 17.97842 61.06762 21.49942 -14.12643      28.02586 
1 1 1 2   37 19 o 91.87267 11.27625 257.7295       59.48503 257.7295       59.48503 0.000000       0.000000 91.87267 11.27625 ?        ?        0.000000       11.27625 
1 1 1 2   37 20 o 63.26178 26.96690 55.22016       176.0792 18.96531       198.8453 186.9089       378.9716 63.10456 27.75990 88.10712 38.55341 -25.00256      47.50766 
1 1 1 2   37 21 o 99.65775 28.59431 361.6572       175.8307 192.1700       198.3723 982.8590       379.7773 78.12431 30.30151 150.5451 41.62157 -72.42075      51.48336 
1 1 1 2   37 22 o 173.4703 18.41106 966.8553       184.4504 1006.332       210.9817 838.8389       379.9352 174.7937 21.00122 134.8561 42.78912 39.93764       47.66508 
1 1 1 2   37 23 o 64.28204 26.45172 93.33321       160.5399 68.08672       176.6241 213.3175       385.0451 63.58747 27.05388 87.28070 38.50290 -23.69323      47.05725 
1 1 1 2   37 24 o 94.38086 28.92879 333.9228       175.2696 465.3656       195.3758 -207.9067      396.6739 111.1015 29.49520 69.85759 33.51975 41.24389       44.64909 
1 1 1 2   37 25 o 141.7809 21.79074 679.9354       175.4023 772.1843       196.6177 320.3383       388.1949 150.0647 23.07872 91.33883 39.50193 58.72587       45.74964 
1 1 1 2   37 26 o 85.48932 28.95394 276.2121       172.7777 305.3581       193.5251 161.7268       383.5511 88.65060 30.62623 81.98853 37.12105 6.662064       48.12420 
1 1 1 2   37 27 o 93.90990 28.80652 341.0702       173.7492 278.3899       191.8682 626.7078       409.5860 84.83422 30.39487 107.8441 43.01290 -23.00992      52.66837 
1 1 1 2   37 28 o 53.18597 24.26399 -33.05475      167.7774 -93.29205      182.5667 294.2020       425.5330 51.51398 24.12368 87.73281 39.46692 -36.21883      46.25570 
1 1 1 2   37 29 o 55.43132 24.94033 -2.758876      170.0141 43.60414       183.9196 -275.0495      445.7162 60.53711 26.66158 68.47583 33.47348 -7.938721      42.79385 
1 1 1 2   37 30 o 62.78267 26.96526 82.08305       178.4921 111.2752       194.9070 -69.65437      444.3658 66.59251 28.37892 73.24174 35.22992 -6.649223      45.23837 
1 1 1 2   37 31 o 83.19184 29.88570 276.9739       185.6292 158.6434       208.9407 720.2711       404.4103 71.30930 29.83025 110.4457 43.14360 -39.13638      52.45202 
1 1 1 2   37 32 o 117.1273 28.89102 543.8916       197.2065 540.1878       219.0273 559.7507       453.2265 113.1039 31.73504 96.69562 42.23985 16.40823       52.83292 
1 1 1 2   38 0  o 274.7240 15.25957 2288.703       244.8949 2288.703       244.8949 0.000000       0.000000 274.7240 15.25957 ?        ?        0.000000       15.25957 
1 1 1 2   38 1  o 141.0213 16.18772 610.7075       131.4571 610.7075       131.4571 0.000000       0.000000 141.0213 16.18772 ?        ?        0.000000       16.18772 
1 1 1 2   38 2  o 101.7339 20.80584 331.3362       119.9461 331.3362       119.9461 0.000000       0.000000 101.7339 20.80584 ?        ?        0.000000       20.80584 
1 1 1 2   38 3  o 81.25484 23.87244 213.9084       121.2494 213.9084       121.2494 0.000000       0.000000 81.25484 23.87244 ?        ?        0.000000       23.87244 
1 1 1 2   38 4  o 42.54497 19.51044 -66.52718      110.3501 -67.91681      116.2750 -53.92474      350.1572 43.78131 20.05874 78.48682 35.50856 -34.70551      40.78248 
1 1 1 2   38 5  o 120.2987 16.15389 447.2030       111.0916 499.3800       116.8125 -46.68309      359.3875 127.2822 16.00120 79.54929 35.98291 47.73294       39.38030 
1 1 1 2   38 6  f 49.65977 21.18230 11.32342       108.7639 -25.45223      113.4979 424.7878       380.5631 46.82927 20.76908 110.4543 42.19514 -63.62502      47.02961 
1 1 1 2   38 7  o 84.33674 22.59328 232.6466       113.9926 232.6466       113.9926 0.000000       0.000000 84.33674 22.59328 ?        ?        0.000000       22.59328 
1 1 1 2   38 8  o 70.24754 22.05695 156.6220       101.2009 90.19843       105.4895 924.0900       358.5736 59.37823 22.32188 156.8640 39.11295 -97.48582      45.03431 
1 1 1 2   38 9  f 119.1875 14.74760 437.2964       100.8896 445.9996       105.4252 342.6281       347.7017 120.1699 15.30571 101.6981 39.92231 18.47179       42.75577 
1 1 1 2   38 10 f 83.78539 20.48898 228.7306       99.82787 196.3172       103.4728 664.6368       379.4558 77.47157 21.83899 128.3723 42.90544 -50.90073      48.14372 
1 1 1 2   38 11 o 56.63846 21.45358 80.76000       97.86098 99.01579       100.9735 -201.7353      397.2033 59.92579 21.96714 74.71493 35.17528 -14.78914      41.47114 
1 1 1 2   38 12 o 109.2196 15.04083 370.2649       93.78812 361.7250       99.94699 433.2210       271.3708 107.3954 16.38656 107.8071 36.28681 -0.4117737     39.81522 
1 1 1 2   38 13 o 70.12722 20.55250 159.7897       89.96488 143.9270       96.52451 264.7416       248.2814 67.20478 21.59388 89.82744 34.13768 -22.62266      40.39402 
1 1 1 2   38 14 o 172.0454 9.733910 886.9970       97.81503 848.5316       107.9947 1062.661       230.7854 167.7482 11.03861 180.7224 22.24309 -12.97420      24.83155 
1 1 1 2   38 15 o 109.0287 14.15481 368.1312       88.37531 406.5138       98.55758 210.6369       199.6437 114.2614 15.07495 81.53018 30.69554 32.73125       34.19752 
1 1 1 2   38 16 o 134.3940 10.96193 546.4261       85.65091 579.7457       95.91132 415.2145       190.3297 138.0586 11.96353 107.5131 29.36274 30.54549       31.70641 
1 1 1 2   38 17 o 208.8989 7.831016 1298.820       95.77129 1382.578       111.8135 1068.125       185.5664 215.0871 8.883110 184.1178 17.39122 30.96939       19.52855 
1 1 1 2   38 18 o 60.49665 16.20280 117.8471       58.63569 98.80991       71.01675 158.6216       103.9330 56.37105 18.55211 69.47652 22.41494 -13.10548      29.09657 
1 1 1 2   38 19 o 150.4895 8.138239 676.8586       71.55968 688.0736       72.84655 367.8165       382.3999 151.7065 8.218242 97.59648 40.55397 54.10999       41.37830 
1 1 1 2   38 20 o 64.29731 27.38832 68.50599       181.3926 107.3406       199.8315 -113.2726      432.3404 69.51729 29.13299 76.38717 36.18328 -6.869881      46.45386 
1 1 1 2   38 21 o 53.86033 25.24235 -117.0548      200.5570 -117.0548      200.5570 0.000000       0.000000 53.86033 25.24235 ?        ?        0.000000       25.24235 
1 1 1 2   38 22 o 163.6008 40.88233 1179.733       391.1242 0.000000       0.000000 1179.733       391.1242 ?        ?        163.6008 40.88233 0.000000       40.88233 
1 1 1 2   38 23 o 63.63004 27.76433 52.11119       195.3371 68.50646       230.8063 10.72254       366.7153 68.22034 29.96250 75.20897 34.87226 -6.988625      45.97636 
1 1 1 2   38 24 o 74.75972 29.93825 179.9118       199.2404 108.7298       233.9467 367.8614       380.1479 70.87701 30.65916 93.08443 39.64973 -22.20742      50.12071 
1 1 1 2   38 25 o 160.4511 22.55546 885.3197       206.3970 873.1442       236.8584 923.7338       420.7171 154.5387 27.12251 130.1283 45.14628 24.41040       52.66704 
1 1 1 2   38 26 o 67.43237 28.61365 110.2002       196.6792 82.25428       219.8860 222.0251       439.8530 67.07207 29.35752 84.94587 38.95391 -17.87380      48.77777 
1 1 1 2   38 27 o 65.95995 28.23120 97.54234       194.3842 -46.96570      217.7400 664.8141       431.4076 58.39890 27.00550 107.4788 43.69106 -49.07986      51.36347 
1 1 1 2   38 28 o 57.31821 26.27258 -25.15946      199.7749 158.7839       224.7905 -716.3713      435.7541 72.47623 30.66476 58.25878 29.23635 14.21745       42.36852 
1 1 1 2   38 29 o 57.55181 26.27157 -13.27054      197.0723 5.015129       218.0080 -94.99287      460.8795 60.86616 27.72570 73.06163 35.32536 -12.19547      44.90652 
1 1 1 2   38 30 o 165.4653 22.14608 955.7635       209.5176 883.7354       234.0758 1246.006       469.8790 153.4327 26.99828 141.8428 47.74858 11.58989       54.85284 
1 1 1 2   39 0  o 68.86731 29.58548 47.79814       214.9594 47.79814       214.9594 0.000000       0.000000 68.86731 29.58548 ?        ?        0.000000       29.58548 
1 1 1 2   39 1  o 278.4205 10.11025 2315.556       164.8131 2315.556       164.8131 0.000000       0.000000 278.4205 10.11025 ?        ?        0.000000       10.11025 
1 1 1 2   39 2  o 91.48959 23.53734 278.3320       127.0143 278.3320       127.0143 0.000000       0.000000 91.48959 23.53734 ?        ?        0.000000       23.53734 
1 1 1 2   39 3  o 157.8703 13.89415 760.4387       127.3309 760.4387       127.3309 0.000000       0.000000 157.8703 13.89415 ?        ?        0.000000       13.89415 
1 1 1 2   39 4  o 113.1286 17.47188 402.9327       112.1910 421.0179       118.5833 248.6235       346.3848 115.4025 18.11706 93.97838 38.78159 21.42415       42.80466 
1 1 1 2   39 5  o 193.9247 11.46620 1132.224       129.8256 1132.224       129.8256 0.000000       0.000000 193.9247 11.46620 ?        ?        0.000000       11.46620 
1 1 1 2   39 6  o 86.97394 21.82777 249.6303       111.1501 172.4033       116.3396 1057.796       376.3511 73.16634 23.72421 165.8097 39.30471 -92.64332      45.90968 
1 1 1 2   39 7  o 81.19741 22.72840 218.6086       112.4878 218.6086       112.4878 0.000000       0.000000 81.19741 22.72840 ?        ?        0.000000       22.72840 
1 1 1 2   39 8  o 81.71602 21.25694 220.1123       102.8250 244.2445       107.6571 -30.75358      347.1083 86.02192 21.42148 76.89980 35.01204 9.122124       41.04538 
1 1 1 2   39 9  o 90.10993 19.71595 264.3976       101.2907 222.5303       105.8733 716.8631       348.0500 81.96220 21.69077 132.8405 40.77508 -50.87832      46.18546 
1 1 1 2   39 10 o 98.40771 20.34468 316.4019       113.5357 316.4019       113.5357 0.000000       0.000000 98.40771 20.34468 ?        ?        0.000000       20.34468 
1 1 1 2   39 11 f 183.1602 10.39562 1008.410       111.2104 993.6281       114.9061 1227.180       442.0496 181.6168 10.83718 170.7616 43.89933 10.85512       45.21721 
1 1 1 2   39 12 o 86.39071 19.22752 243.5506       94.90993 193.5150       100.9069 627.3646       279.4743 76.36930 21.57977 127.4043 35.88319 -51.03495      41.87230 
1 1 1 2   39 13 o 101.8188 15.29992 325.1164       88.53981 339.6812       94.36088 217.8751       256.0481 103.8081 16.01367 84.73202 33.93650 19.07612       37.52497 
1 1 1 2   39 14 o 39.79835 17.74619 -21.95600      84.00517 8.435107       91.48015 -185.4522      212.1815 45.00846 19.31742 52.90579 25.14386 -7.897324      31.70767 
1 1 1 2   39 15 o 117.7503 12.54512 425.5930       85.30136 472.8664       95.37708 236.6431       190.6816 123.8294 13.34356 83.17665 30.23405 40.65277       33.04768 
1 1 1 2   39 16 o 42.13881 17.71680 16.86741       74.27618 9.879366       81.86956 49.38289       176.5995 42.91650 18.34381 62.45093 26.82234 -19.53444      32.49513 
1 1 1 2   39 17 o 49.81609 18.40393 67.34518       71.10126 87.32698       79.36497 -13.89571      160.0291 54.59995 19.55012 54.74857 24.44759 -0.1486282     31.30322 
1 1 1 2   39 18 o 62.64929 15.97111 127.3000       58.84970 89.61194       68.79843 230.0804       113.6139 53.97635 18.27068 81.68298 22.83373 -27.70663      29.24375 
1 1 1 2   39 19 o 92.75097 10.04072 261.9042       53.74786 259.7831       54.19288 389.4657       420.2624 92.32477 10.17726 97.32679 41.57981 -5.002022      42.80721 
1 1 1 2   39 20 o 52.15892 23.75385 -42.47782      159.9024 -206.6460      172.7980 935.8900       421.8376 44.92637 21.69952 135.6411 45.23609 -90.71469      50.17143 
1 1 1 2   39 21 o 83.28383 27.68796 254.5404       158.0616 178.4076       171.9191 670.5004       401.8500 73.67443 28.30604 114.2862 43.43099 -40.61179      51.84093 
1 1 1 2   39 22 o 62.66215 26.57950 76.74971       169.6013 206.9496       187.6676 -503.4845      396.1737 77.08035 29.58447 60.81070 30.07928 16.26965       42.19009 
1 1 1 2   39 23 o 59.52081 26.27214 29.55546       179.5197 -43.30391      198.2912 360.6383       422.6969 56.77816 26.08042 91.95284 40.46126 -35.17468      48.13836 
1 1 1 2   39 24 o 80.97674 38.22450 86.88824       474.7139 0.000000       0.000000 86.88824       474.7139 ?        ?        80.97674 38.22450 0.000000       38.22450 
1 1 1 2   39 25 f 46.92062 22.55425 -177.9664      181.4295 -159.4684      200.8143 -260.1412      423.2544 50.55198 24.14656 67.69225 32.98709 -17.14028      40.88037 
1 1 1 2   39 26 o 66.51704 27.76801 119.7598       180.4922 77.90347       199.9693 303.7702       419.2797 64.51368 28.12173 86.70385 39.07493 -22.19017      48.14231 
1 1 1 2   39 27 o 182.5525 18.87522 1110.562       199.1719 1180.751       219.7420 787.4376       471.4770 186.4067 20.43479 109.9179 45.29099 76.48878       49.68756 
1 1 1 2   39 28 f 92.76884 30.41691 355.8080       190.9706 289.1277       209.1198 690.7076       468.6552 83.90503 31.45240 103.9786 44.14727 -20.07360      54.20549 
1 1 1 2   39 29 o 60.96287 26.88318 55.60145       187.5463 167.9893       204.3947 -543.0259      471.7242 71.40766 29.65843 62.87355 31.38276 8.534111       43.17986 
1 1 1 2   40 0  o 164.2861 13.72006 825.9824       130.9868 825.9824       130.9868 0.000000       0.000000 164.2861 13.72006 ?        ?        0.000000       13.72006 
1 1 1 2   40 1  o 89.06507 23.77686 267.7910       126.5215 267.7910       126.5215 0.000000       0.000000 89.06507 23.77686 ?        ?        0.000000       23.77686 
1 1 1 2   40 2  o 47.76645 21.59765 -45.03850      129.3186 -45.03850      129.3186 0.000000       0.000000 47.76645 21.59765 ?        ?        0.000000       21.59765 
1 1 1 2   40 3  o 147.7664 15.60410 677.7969       133.1875 677.7969       133.1875 0.000000       0.000000 147.7664 15.60410 ?        ?        0.000000       15.60410 
1 1 1 2   40 4  o 136.2187 16.33423 580.1967       127.8932 580.1967       127.8932 0.000000       0.000000 136.2187 16.33423 ?        ?        0.000000       16.33423 
1 1 1 2   40 5  o 178.7509 11.62185 966.5201       121.1750 1012.895       128.0252 567.6241       375.4767 182.8188 12.00700 116.5030 42.41454 66.31587       44.08130 
1 1 1 2   40 6  f 209.6874 10.92179 1324.458       133.8497 1324.458       133.8497 0.000000       0.000000 209.6874 10.92179 ?        ?        0.000000       10.92179 
1 1 1 2   40 7  o 99.30313 21.02732 325.3271       118.6424 254.8733       124.2824 1049.151       398.3583 86.69365 23.74781 158.8110 42.09598 -72.11737      48.33249 
1 1 1 2   40 8  o 74.76470 22.95100 185.6881       110.2662 83.94404       116.0096 1137.592       354.8425 59.03299 23.09367 172.8792 36.16212 -113.8462      42.90707 
1 1 1 2   40 9  o 152.0833 13.62268 710.4326       120.2195 684.3861       128.0166 904.9260       349.8199 148.6028 14.88921 149.4346 39.37205 -0.8317871     42.09331 
1 1 1 2   40 10 o 38.71426 18.27606 -103.2727      108.5556 -152.6516      114.1625 362.7023       350.6989 36.88845 17.77235 98.73902 39.65824 -61.85057      43.45840 
1 1 1 2   40 11 o 68.05709 22.41967 150.3728       103.7037 88.52363       107.6962 938.4501       384.4307 58.37759 22.41006 147.1333 42.30080 -88.75568      47.87033 
1 1 1 2   40 12 o 146.1436 12.02615 651.7189       102.1646 606.9149       109.4117 956.7095       285.4625 140.3117 13.46086 161.5318 31.26304 -21.22011      34.03781 
1 1 1 2   40 13 o 98.56783 16.66136 311.0007       92.88648 290.7221       98.94987 461.4179       269.4912 94.32752 18.54789 106.6845 36.16041 -12.35696      40.63987 
1 1 1 2   40 14 o 85.79362 18.62030 242.4020       90.99457 222.2815       99.15324 349.7906       229.0693 81.19395 20.74795 95.25159 33.29613 -14.05764      39.23149 
1 1 1 2   40 15 o 53.75559 20.18375 78.58294       86.19224 69.90916       96.59212 112.4813       190.9529 53.76976 21.06140 69.06673 28.67471 -15.29697      35.57839 
1 1 1 2   40 16 o 92.13365 15.29414 270.2042       79.74430 297.2321       88.63024 155.3273       182.7224 96.24951 16.28116 72.47160 28.78656 23.77792       33.07177 
1 1 1 2   40 17 o 161.4241 8.894343 783.1781       83.87859 834.8467       94.75326 596.0433       180.3259 166.2707 9.759823 130.8872 24.38857 35.38354       26.26892 
1 1 1 2   40 18 o 74.98531 14.70292 180.1604       62.34731 154.6623       72.91331 249.5126       120.2496 68.27431 17.96861 84.24830 23.46913 -15.97398      29.55792 
1 1 1 2   40 19 f 123.2869 27.48088 559.4212       193.6237 402.8581       213.6027 1280.854       458.5218 100.1274 32.11813 157.9193 46.43071 -57.79189      56.45693 
1 1 1 2   40 20 o 107.8838 30.27667 456.0361       199.3374 593.5762       223.9570 -68.38891      437.3124 122.9314 31.05765 75.37852 35.90150 47.55289       47.47099 
1 1 1 2   40 21 o 69.43179 29.47244 120.3019       208.7873 30.53711       235.9324 444.4446       448.3349 65.24509 29.36591 95.92793 41.95552 -30.68284      51.21155 
1 1 1 2   40 22 o 184.5282 20.02666 1139.295       213.2603 1228.418       246.0526 870.1849       427.5605 188.4615 22.71932 123.1522 45.19343 65.30934       50.58274 
1 1 1 2   40 23 o 71.89993 29.43486 162.4528       197.4900 2.013903       220.8473 802.8499       441.2269 61.57549 27.99300 116.0232 45.13820 -54.44775      53.11370 
1 1 1 2   40 24 o 117.3129 30.94439 557.8265       215.9292 559.1887       235.8732 550.7779       536.5490 114.5647 33.19446 97.00265 43.91325 17.56205       55.04767 
1 1 1 2   40 25 o 62.61977 27.91190 47.16385       207.6123 23.08810       223.8172 195.5968       555.7363 62.51719 28.32579 84.10442 40.17206 -21.58723      49.15429 
1 1 1 2   40 26 o 137.2432 30.15250 749.6204       236.0530 749.6204       236.0530 0.000000       0.000000 137.2432 30.15250 ?        ?        0.000000       30.15250 
1 1 1 2   40 27 o 71.93053 35.57541 -288.8741      553.5948 0.000000       0.000000 -288.8741      553.5948 ?        ?        71.93053 35.57541 0.000000       35.57541 
1 1 1 2   41 0  o 102.1727 23.30090 353.8966       136.5186 353.8966       136.5186 0.000000       0.000000 102.1727 23.30090 ?        ?        0.000000       23.30090 
1 1 1 2   41 1  f 172.1636 14.08980 912.9083       141.0212 912.9083       141.0212 0.000000       0.000000 172.1636 14.08980 ?        ?        0.000000       14.08980 
1 1 1 2   41 2  o 112.6187 20.20197 414.9149       128.5281 414.9149       128.5281 0.000000       0.000000 112.6187 20.20197 ?        ?        0.000000       20.20197 
1 1 1 2   41 3  o 104.9730 21.17119 365.3646       125.8357 365.3646       125.8357 0.000000       0.000000 104.9730 21.17119 ?        ?        0.000000       21.17119 
1 1 1 2   41 4  o 59.29582 23.62837 80.63626       123.4886 80.63626       123.4886 0.000000       0.000000 59.29582 23.62837 ?        ?        0.000000       23.62837 
1 1 1 2   41 5  o 133.5750 14.98640 556.0602       115.3791 553.0651       121.8337 582.1019       359.2458 132.6896 15.97709 115.6576 41.57206 17.03204       44.53654 
1 1 1 2   41 6  o 59.07819 22.75526 90.92017       111.2997 90.92017       111.2997 0.000000       0.000000 59.07819 22.75526 ?        ?        0.000000       22.75526 
1 1 1 2   41 7  o 121.1756 16.67402 465.9070       115.3584 503.2660       122.1285 156.6909       351.3585 125.8367 16.98155 84.25092 36.98683 41.58578       40.69888 
1 1 1 2   41 8  o 173.1437 12.62555 917.6996       127.3247 960.6396       134.7648 560.7094       388.5735 176.8958 13.08256 111.4522 42.62199 65.44363       44.58461 
1 1 1 2   41 9  o 57.20745 23.07549 71.38120       119.2803 71.38120       119.2803 0.000000       0.000000 57.20745 23.07549 ?        ?        0.000000       23.07549 
1 1 1 2   41 10 o 55.05809 22.09753 66.45815       108.7966 -20.07399      113.3321 1083.131       388.4677 46.16196 20.59618 157.1846 41.52594 -111.0227      46.35306 
1 1 1 2   41 11 o 76.69945 22.99632 201.9661       111.6029 220.6150       116.1656 -21.53882      402.1555 79.87126 23.33938 77.54086 36.14447 2.330406       43.02499 
1 1 1 2   41 12 o 73.55190 21.96399 183.9752       101.9637 211.5305       109.5517 5.480302       278.8233 78.41412 22.59284 69.37990 31.50657 9.034218       38.76984 
1 1 1 2   41 13 o 125.6483 13.78418 491.8121       99.90968 524.4391       106.3815 247.8694       290.8848 129.5424 14.23681 85.54035 35.44180 44.00201       38.19434 
1 1 1 2   41 14 o 139.7308 12.66996 602.5691       102.7014 688.4431       112.6622 180.3413       249.8164 149.2280 13.00264 78.24622 32.66664 70.98177       35.15932 
1 1 1 2   41 15 o 120.4521 13.39899 452.0081       93.05342 502.4497       105.2303 271.1116       199.2789 126.4804 14.44494 85.18661 30.91632 41.29376       34.12441 
1 1 1 2   41 16 o 38.62408 17.21782 -17.09231      79.02042 -64.24358      88.43198 169.7259       176.0241 36.40037 16.96137 72.74114 28.44952 -36.34077      33.12194 
1 1 1 2   41 17 o 101.9503 13.34915 325.9750       77.90099 305.9379       87.05616 406.4912       174.5114 97.51847 15.75886 103.7773 28.02181 -6.258789      32.14908 
1 1 1 2   41 18 o 101.0098 10.87782 313.5352       63.42542 284.0041       73.31438 401.3893       126.4531 94.90495 13.55672 108.7268 20.58445 -13.82180      24.64760 
1 1 1 2   41 19 o 66.36120 28.01577 106.0456       186.9546 68.24906       213.4626 230.5070       387.3585 65.57692 28.80770 84.12260 37.76434 -18.54568      47.49767 
1 1 1 2   41 20 o 70.69790 29.33128 146.9383       199.5999 15.42892       227.8961 580.0671       413.5873 63.17434 28.60722 103.1698 42.45555 -39.99541      51.19420 
1 1 1 2   41 21 o 101.9197 31.60588 429.5229       208.4795 477.9580       247.0925 309.8499       388.3986 104.0974 34.61877 87.26067 38.57427 16.83669       51.83081 
1 1 1 2   41 22 o 48.38852 23.17947 -162.2137      187.9337 -114.9895      216.1778 -308.3458      380.2783 54.34469 25.69564 62.87040 30.77259 -8.525707      40.09012 
1 1 1 2   41 23 o 56.54317 25.82622 -17.38022      190.8083 48.04292       218.8435 -224.7795      389.6472 63.62572 28.48763 65.42368 31.82955 -1.797966      42.71611 
1 1 1 2   41 24 o 66.48349 29.27044 89.05148       221.4970 182.4244       248.3367 -274.2241      489.8334 74.71530 31.94231 69.69017 34.27504 5.025131       46.85178 
1 1 1 2   41 25 o 60.86785 27.91764 -2.535810      226.0682 94.56068       243.6343 -603.9653      606.3579 68.18701 30.32460 68.86717 34.54993 -0.6801605     45.97041 
1 1 1 2   42 0  o 66.97719 25.56472 132.4045       139.6197 132.4045       139.6197 0.000000       0.000000 66.97719 25.56472 ?        ?        0.000000       25.56472 
1 1 1 2   42 1  o 92.13927 25.07881 299.8934       139.1189 299.8934       139.1189 0.000000       0.000000 92.13927 25.07881 ?        ?        0.000000       25.07881 
1 1 1 2   42 2  o 58.95591 24.18698 71.52891       133.7049 71.52891       133.7049 0.000000       0.000000 58.95591 24.18698 ?        ?        0.000000       24.18698 
1 1 1 2   42 3  o 79.01457 31.02444 202.3546       210.0215 202.3546       210.0215 0.000000       0.000000 79.01457 31.02444 ?        ?        0.000000       31.02444 
1 1 1 2   42 4  o 166.6337 23.28808 940.3076       221.3799 940.3076       221.3799 0.000000       0.000000 166.6337 23.28808 ?        ?        0.000000       23.28808 
1 1 1 2   42 5  o 76.58192 23.50715 202.0352       115.6776 202.0352       115.6776 0.000000       0.000000 76.58192 23.50715 ?        ?        0.000000       23.50715 
1 1 1 2   42 6  o 65.49590 22.99430 137.4473       109.3251 101.1254       114.4899 512.9998       368.1443 60.37180 23.12364 106.2799 41.26348 -45.90813      47.30093 
1 1 1 2   42 7  o 123.7171 16.45398 487.9732       116.4281 474.1411       122.0032 629.0291       389.6036 121.2005 17.68476 114.2593 42.90976 6.941177       46.41119 
1 1 1 2   42 8  o 68.52314 23.43427 155.5037       113.2194 178.8121       118.5564 -86.03741      381.6491 72.47949 23.97556 73.19933 34.46730 -0.7198334     41.98597 
1 1 1 2   42 9  o 121.0543 16.91055 470.4396       116.7857 470.4396       116.7857 0.000000       0.000000 121.0543 16.91055 ?        ?        0.000000       16.91055 
1 1 1 2   42 10 o 87.12922 21.55082 260.4966       109.5053 262.5062       113.9944 236.4778       394.0967 87.10830 22.23986 87.54334 38.77005 -0.4350433     44.69595 
1 1 1 2   42 11 o 100.6698 19.66742 338.3664       111.9516 258.1544       116.3103 1348.811       412.8144 86.03455 22.71901 174.4970 41.03228 -88.46246      46.90203 
1 1 1 2   42 12 o 92.99291 20.52422 293.5232       108.9332 319.3431       117.0971 127.4846       296.9429 96.66010 21.23738 76.59845 33.80048 20.06165       39.91865 
1 1 1 2   42 13 o 55.87038 21.60014 84.04669       100.5576 47.16002       107.4271 345.1090       285.7927 51.80975 21.50864 91.49641 36.10949 -39.68666      42.02995 
1 1 1 2   42 14 o 133.3945 13.12276 554.1604       101.3352 617.4189       110.7403 228.4842       251.2693 140.5615 13.60332 80.88941 33.16813 59.67208       35.84933 
1 1 1 2   42 15 o 132.0894 12.30403 540.1887       94.21977 644.2577       108.6432 224.4459       189.2381 143.9010 13.01377 78.66797 29.82508 65.23308       32.54065 
1 1 1 2   42 16 o 169.6824 15.13806 913.2839       149.0657 1291.541       241.1142 679.2601       189.6529 195.0101 21.43516 138.4333 24.24266 56.57680       32.36005 
1 1 1 2   42 17 o 76.94506 17.10131 196.6845       75.17089 184.4988       84.53614 242.7213       164.3124 73.47688 19.35259 80.26900 28.18929 -6.792130      34.19297 
1 1 1 2   42 18 o 94.62769 11.18177 277.0154       60.85804 280.8744       69.96542 265.0197       123.3565 94.47347 12.96962 85.53060 23.74948 8.942871       27.06010 
1 1 1 2   42 19 o 108.4582 30.68403 477.3204       203.8851 582.4737       235.5811 163.5122       406.9689 117.6783 32.87414 80.44917 37.10173 37.22917       49.57064 
1 1 1 2   42 20 o 70.73499 29.87271 147.6359       212.6803 141.0496       255.2508 162.5917       384.6353 72.50965 31.68639 79.03439 36.31089 -6.524734      48.19241 
1 1 1 2   42 21 o 108.0106 32.68859 502.3615       224.7386 424.5425       271.2447 672.7593       401.3753 95.23844 35.79564 106.9944 42.61075 -11.75600      55.65073 
1 1 1 2   42 22 o 109.6991 33.02685 523.2822       229.8418 575.2477       278.6859 412.7606       406.4252 109.5181 36.77198 90.52059 39.75822 18.99748       54.15620 
1 1 1 2   42 23 o 133.6130 30.50472 721.4221       233.7638 951.1268       281.7043 213.4722       418.9083 150.9548 32.76223 80.97406 37.44950 69.98071       49.75770 
1 1 1 2   43 0  o 53.98127 23.38456 24.03242       136.4970 24.03242       136.4970 0.000000       0.000000 53.98127 23.38456 ?        ?        0.000000       23.38456 
1 1 1 2   43 1  o 77.63768 25.47390 212.6404       133.9352 212.6404       133.9352 0.000000       0.000000 77.63768 25.47390 ?        ?        0.000000       25.47390 
1 1 1 2   43 2  o 161.8640 14.61118 820.6318       137.2112 820.6318       137.2112 0.000000       0.000000 161.8640 14.61118 ?        ?        0.000000       14.61118 
1 1 1 2   43 3  o 70.26563 24.75368 165.5339       126.7721 165.5339       126.7721 0.000000       0.000000 70.26563 24.75368 ?        ?        0.000000       24.75368 
1 1 1 2   43 4  o 99.09975 22.75139 340.9886       129.4314 340.9886       129.4314 0.000000       0.000000 99.09975 22.75139 ?        ?        0.000000       22.75139 
1 1 1 2   43 5  o 89.60518 24.68677 287.1715       133.8666 287.1715       133.8666 0.000000       0.000000 89.60518 24.68677 ?        ?        0.000000       24.68677 
1 1 1 2   43 6  o 60.80077 24.02319 98.49538       126.6271 87.31288       133.1911 203.6312       408.3957 60.12484 24.33670 85.65109 38.58564 -25.52626      45.61937 
1 1 1 2   43 7  o 65.21841 24.04445 134.7971       121.2554 136.6206       126.9617 115.8688       409.0531 65.83374 24.54164 81.43360 37.42511 -15.59986      44.75411 
1 1 1 2   43 8  o 133.5540 15.68801 568.0414       120.5380 490.7917       126.8565 1286.070       386.7541 122.3957 18.22763 171.4860 39.29868 -49.09029      43.32012 
1 1 1 2   43 9  o 86.63132 23.38465 266.4379       121.5559 130.5653       128.0926 1496.694       385.4392 64.88187 24.55179 190.9747 35.72652 -126.0929      43.34945 
1 1 1 2   43 10 o 92.64695 22.42142 300.8739       120.4997 303.3528       127.9143 281.3317       359.1499 92.29062 23.55630 87.03001 37.81505 5.260612       44.55196 
1 1 1 2   43 11 f 97.75327 21.46594 330.2951       119.6879 389.0807       130.6602 23.72379       298.3826 106.1432 21.72189 69.97858 32.08784 36.16466       38.74881 
1 1 1 2   43 12 o 75.02938 23.52533 199.9477       115.1641 302.8925       126.8384 -283.3175      274.8157 92.05254 23.43646 54.89827 26.71382 37.15426       35.53725 
1 1 1 2   43 13 o 65.24227 22.32431 143.8865       102.7512 143.3491       109.8657 147.6373       290.2542 65.37215 23.04284 75.75018 33.42225 -10.37802      40.59581 
1 1 1 2   43 14 o 113.8312 15.87671 418.0321       103.1119 434.1580       113.1247 338.8442       250.6828 115.1056 17.29153 89.46936 34.22945 25.63622       38.34909 
1 1 1 2   43 15 o 106.3920 15.91279 366.3826       96.24487 307.1679       111.6378 537.7959       189.9410 94.23952 20.76048 119.0237 27.72760 -24.78414      34.63838 
1 1 1 2   43 16 o 166.1053 15.29217 880.5596       147.3005 856.7661       234.5129 896.0634       189.3025 151.3921 27.42208 162.8104 20.26274 -11.41833      34.09617 
1 1 1 2   43 17 o 126.8420 11.67900 498.4070       85.90514 573.9312       97.23238 229.7346       183.3916 135.7628 12.34671 77.83418 29.39423 57.92866       31.88200 
1 1 1 2   43 18 o 46.67594 17.61334 59.32006       65.81782 34.01427       76.43439 131.9079       129.4526 44.20127 18.22668 64.02486 24.57173 -19.82358      30.59382 
1 1 1 2   43 19 o 38.82188 15.44944 30.95974       52.72580 272.4227       302.4327 23.39065       53.54581 82.26239 35.21140 37.59079 15.35063 44.67160       38.41203 
1 1 1 2   43 20 o 66.35258 29.58124 76.61941       233.3008 181.2048       301.5813 -79.24574      368.1656 76.37868 33.86584 68.17889 32.60124 8.199791       47.00783 
1 1 1 2   43 21 o 69.08293 29.51008 137.9707       211.6439 359.0341       261.4069 -282.6735      360.5919 88.61088 34.66562 61.11869 29.92575 27.49219       45.79580 
1 1 1 2   44 0  o 122.6761 21.57437 515.0975       149.5563 515.0975       149.5563 0.000000       0.000000 122.6761 21.57437 ?        ?        0.000000       21.57437 
1 1 1 2   44 1  o 156.7202 16.40380 788.0770       148.5409 788.0770       148.5409 0.000000       0.000000 156.7202 16.40380 ?        ?        0.000000       16.40380 
1 1 1 2   44 2  o 162.3368 15.55675 838.1512       146.3004 838.1512       146.3004 0.000000       0.000000 162.3368 15.55675 ?        ?        0.000000       15.55675 
1 1 1 2   44 3  o 60.52604 24.41513 94.26820       133.5381 94.26820       133.5381 0.000000       0.000000 60.52604 24.41513 ?        ?        0.000000       24.41513 
1 1 1 2   44 4  o 72.06065 25.02959 181.6514       129.3342 181.6514       129.3342 0.000000       0.000000 72.06065 25.02959 ?        ?        0.000000       25.02959 
1 1 1 2   44 5  o 135.5576 17.31357 597.4993       134.5077 597.4993       134.5077 0.000000       0.000000 135.5576 17.31357 ?        ?        0.000000       17.31357 
1 1 1 2   44 6  o 93.70637 24.94533 320.7926       139.5080 320.7926       139.5080 0.000000       0.000000 93.70637 24.94533 ?        ?        0.000000       24.94533 
1 1 1 2   44 7  o 120.0856 20.40732 488.9988       138.5855 517.4495       146.4211 244.3152       429.3975 123.0885 21.03839 85.57008 38.95262 37.51844       44.27099 
1 1 1 2   44 8  o 108.1638 20.99402 402.0554       128.3727 402.0554       128.3727 0.000000       0.000000 108.1638 20.99402 ?        ?        0.000000       20.99402 
1 1 1 2   44 9  o 78.01627 24.12389 220.3067       121.5573 245.4287       128.5787 8.948080       372.9506 81.85680 24.71502 73.22719 34.35180 8.629616       42.31877 
1 1 1 2   44 10 o 99.03560 21.05273 339.5341       118.5083 283.0161       124.2109 912.9991       395.6577 88.55634 23.52136 129.6797 43.81560 -41.12332      49.72988 
1 1 1 2   44 11 f 71.88245 23.57308 183.5231       114.6992 149.0236       125.0908 365.6695       287.4282 66.63341 24.44622 90.80666 36.09298 -24.17325      43.59267 
1 1 1 2   44 12 o 38.18483 18.15093 -105.2669      110.6718 -135.7619      122.3791 31.63123       259.2934 38.74962 18.59977 66.44059 30.25421 -27.69097      35.51434 
1 1 1 2   44 13 o 75.81719 22.76228 206.2441       109.2882 163.5695       123.5742 359.4601       234.1507 68.50555 24.40991 91.15009 33.44530 -22.64454      41.40570 
1 1 1 2   44 14 o 45.40434 19.84883 7.681347       100.2402 84.41476       113.1094 -273.1380      216.3814 56.49240 22.57946 47.62124 23.28834 8.871162       32.43731 
1 1 1 2   44 15 o 109.0080 15.83416 386.2958       98.27026 424.1445       117.6366 298.8816       178.7755 112.4192 18.48417 86.02821 29.44655 26.39101       34.76728 
1 1 1 2   44 16 o 82.66071 19.75860 236.9616       94.48270 275.9812       110.9171 133.7723       180.3741 88.09993 21.62908 67.22854 27.88661 20.87139       35.29136 
1 1 1 2   44 17 o 79.04686 18.86371 214.5279       86.22958 218.1841       95.86778 199.0382       197.3236 78.76678 20.54282 74.21857 29.76915 4.548210       36.16918 
1 1 1 2   44 18 o 92.94795 23.21870 315.4143       126.1915 552.9856       294.1838 261.8436       139.6965 104.8387 37.62750 82.68338 25.90797 22.15527       45.68427 
1 1 1 2   44 19 o 167.9315 10.29085 864.3696       100.8657 1034.020       317.9807 845.3896       106.3584 150.7327 36.38734 165.5518 11.01706 -14.81915      38.01860 
1 1 1 2   45 0  o 92.03461 27.16745 324.1434       156.7201 324.1434       156.7201 0.000000       0.000000 92.03461 27.16745 ?        ?        0.000000       27.16745 
1 1 1 2   45 1  o 72.18638 26.69156 183.8448       149.6131 183.8448       149.6131 0.000000       0.000000 72.18638 26.69156 ?        ?        0.000000       26.69156 
1 1 1 2   45 2  o 103.2409 24.03229 385.2613       142.7771 385.2613       142.7771 0.000000       0.000000 103.2409 24.03229 ?        ?        0.000000       24.03229 
1 1 1 2   45 3  o 63.45098 25.33127 116.8208       142.1927 116.8208       142.1927 0.000000       0.000000 63.45098 25.33127 ?        ?        0.000000       25.33127 
1 1 1 2   45 4  o 112.3650 23.66333 451.8413       151.0047 451.8413       151.0047 0.000000       0.000000 112.3650 23.66333 ?        ?        0.000000       23.66333 
1 1 1 2   45 5  o 70.23996 30.77031 112.9717       242.0152 112.9717       242.0152 0.000000       0.000000 70.23996 30.77031 ?        ?        0.000000       30.77031 
1 1 1 2   45 6  o 70.02705 25.52460 171.2094       136.0362 171.2094       136.0362 0.000000       0.000000 70.02705 25.52460 ?        ?        0.000000       25.52460 
1 1 1 2   45 7  o 95.62959 23.99545 333.2138       134.3412 333.2138       134.3412 0.000000       0.000000 95.62959 23.99545 ?        ?        0.000000       23.99545 
1 1 1 2   45 8  o 60.22853 24.01568 102.0636       127.6524 119.9692       134.4842 -60.85961      405.6660 62.99982 24.79887 71.59200 34.23004 -8.592175      42.26913 
1 1 1 2   45 9  o 105.3117 20.98025 385.3090       125.0270 394.4281       131.5559 300.2157       401.8664 105.8376 21.91628 85.49435 38.41567 20.34327       44.22767 
1 1 1 2   45 10 o 60.89628 22.37961 120.2084       104.9069 116.1205       109.9403 161.8100       350.7234 60.58448 22.78523 77.38915 35.21892 -16.80467      41.94686 
1 1 1 2   45 11 o 113.7700 16.15410 422.0941       104.7593 470.6454       116.0320 208.0163       243.6484 119.5846 17.02474 76.42340 32.10703 43.16124       36.34148 
1 1 1 2   45 12 o 121.6299 16.06554 481.3969       111.8008 491.9294       133.7113 456.9233       203.8217 120.1921 19.64704 104.4672 31.01918 15.72493       36.71778 
1 1 1 2   45 13 o 39.14640 18.43247 -83.23232      109.1387 -107.7296      129.2299 -22.30371      203.8048 41.49534 19.69259 57.43026 26.40216 -15.93492      32.93740 
1 1 1 2   45 14 o 54.73689 21.81534 79.27622       105.2821 106.8797       127.3034 19.53850       187.2759 60.42962 24.01986 58.31748 26.21266 2.112133       35.55359 
1 1 1 2   45 15 o 95.74692 18.20830 309.9161       98.51008 388.4621       121.5314 159.4458       168.2100 105.8369 20.31801 68.82732 27.52666 37.00954       34.21313 
1 1 1 2   45 16 o 69.46062 20.16177 169.8306       86.94643 127.9644       106.7995 252.1134       149.7239 61.77953 22.60079 80.22852 26.95301 -18.44899      35.17471 
1 1 1 2   46 0  o 65.86140 26.11285 137.9472       150.0940 137.9472       150.0940 0.000000       0.000000 65.86140 26.11285 ?        ?        0.000000       26.11285 
1 1 1 2   46 1  o 53.78625 23.71369 22.42446       145.8613 22.42446       145.8613 0.000000       0.000000 53.78625 23.71369 ?        ?        0.000000       23.71369 
1 1 1 2   46 2  o 82.37144 27.93320 266.2032       160.8138 266.2032       160.8138 0.000000       0.000000 82.37144 27.93320 ?        ?        0.000000       27.93320 
1 1 1 2   46 3  o 57.67408 25.00217 52.75118       156.2609 52.75118       156.2609 0.000000       0.000000 57.67408 25.00217 ?        ?        0.000000       25.00217 
1 1 1 2   46 4  o 141.5849 18.92901 673.6251       153.2449 673.6251       153.2449 0.000000       0.000000 141.5849 18.92901 ?        ?        0.000000       18.92901 
1 1 1 2   46 5  o 64.86293 26.45468 124.5947       158.7896 124.5947       158.7896 0.000000       0.000000 64.86293 26.45468 ?        ?        0.000000       26.45468 
1 1 1 2   46 6  f 89.17739 27.42009 312.4281       157.3104 312.4281       157.3104 0.000000       0.000000 89.17739 27.42009 ?        ?        0.000000       27.42009 
1 1 1 2   46 7  o 82.62742 26.84602 264.7125       148.9293 264.7125       148.9293 0.000000       0.000000 82.62742 26.84602 ?        ?        0.000000       26.84602 
1 1 1 2   46 8  o 106.2092 22.31837 402.1332       134.5945 435.6850       143.2004 147.8883       394.1963 110.1468 22.91493 77.60124 36.04120 32.54559       42.70904 
1 1 1 2   46 9  o 83.70789 25.08203 264.6696       132.7961 256.3665       141.2801 327.6399       389.0723 81.77214 26.10954 85.57916 38.17369 -3.807022      46.24866 
1 1 1 2   46 10 f 84.48270 22.23269 257.7776       111.6306 272.5487       117.2001 113.3517       366.4749 86.52293 22.78579 74.99141 34.80222 11.53152       41.59792 
1 1 1 2   46 11 o 57.08867 22.55824 92.91867       111.6621 111.2780       125.6221 23.81261       243.7224 60.66521 23.94074 63.48616 29.06946 -2.820957      37.65890 
1 1 1 2   46 12 o 60.65925 23.26780 117.1328       116.0364 236.3878       134.2931 -234.2094      230.5052 78.63578 25.48844 50.24686 24.45384 28.38892       35.32211 
1 1 1 2   47 0  o 85.74600 27.42152 291.1464       155.7880 291.1464       155.7880 0.000000       0.000000 85.74600 27.42152 ?        ?        0.000000       27.42152 
1 1 1 2   47 1  o 49.24575 22.76578 -50.19193      154.5636 -50.19193      154.5636 0.000000       0.000000 49.24575 22.76578 ?        ?        0.000000       22.76578 
1 1 1 2   47 2  o 109.2446 27.04651 463.2530       172.3558 463.2530       172.3558 0.000000       0.000000 109.2446 27.04651 ?        ?        0.000000       27.04651 
1 1 1 2   47 3  o 61.21495 26.63051 72.72993       178.5675 72.72993       178.5675 0.000000       0.000000 61.21495 26.63051 ?        ?        0.000000       26.63051 
1 1 1 2   47 4  o 76.55352 28.89283 228.8470       177.1264 228.8470       177.1264 0.000000       0.000000 76.55352 28.89283 ?        ?        0.000000       28.89283 
1 1 1 2   47 5  o 127.9910 21.95121 579.8524       158.8449 579.8524       158.8449 0.000000       0.000000 127.9910 21.95121 ?        ?        0.000000       21.95121 
1 1 1 2   47 6  o 56.53273 27.52389 -236.0363      292.8112 -236.0363      292.8112 0.000000       0.000000 56.53273 27.52389 ?        ?        0.000000       27.52389 
1 1 1 3   0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  5  o 242.0227 5.832038 1720.954       82.67172 1720.954       82.67172 1720.954       82.67172 242.0227 5.832038 242.0227 5.832038 0.000000       0.000000 
1 1 1 3   0  6  o 873.2334 14.92127 22407.49       763.6613 22407.49       763.6613 22407.49       763.6613 873.2334 14.92127 873.2334 14.92127 0.000000       0.000000 
1 1 1 3   0  7  o 594.3437 10.51932 10375.05       366.4113 10375.05       366.4113 10375.05       366.4113 594.3437 10.51932 594.3437 10.51932 0.000000       0.000000 
1 1 1 3   0  8  o 284.9945 6.316971 2385.877       105.4664 2385.877       105.4664 2385.877       105.4664 284.9945 6.316971 284.9945 6.316971 0.000000       0.000000 
1 1 1 3   0  9  o 433.9127 8.156779 5529.802       207.4079 5529.802       207.4079 5529.802       207.4079 433.9127 8.156779 433.9127 8.156779 0.000000       0.000000 
1 1 1 3   0  10 o 417.6084 7.967397 5122.617       194.9753 5122.617       194.9753 5122.617       194.9753 417.6084 7.967397 417.6084 7.967397 0.000000       0.000000 
1 1 1 3   0  11 o 559.7342 10.04615 9206.169       329.5461 9206.169       329.5461 9206.169       329.5461 559.7342 10.04615 559.7342 10.04615 0.000000       0.000000 
1 1 1 3   0  12 o 204.0699 8.758066 1228.938       104.3781 1228.938       104.3781 1228.938       104.3781 204.0699 8.758066 204.0699 8.758066 0.000000       0.000000 
1 1 1 3   0  13 o 863.3575 14.81601 21924.03       749.6940 21924.03       749.6940 21924.03       749.6940 863.3575 14.81601 863.3575 14.81601 0.000000       0.000000 
1 1 1 3   0  14 o 848.9686 14.58925 21189.46       725.9153 21189.46       725.9153 21189.46       725.9153 848.9686 14.58925 848.9686 14.58925 0.000000       0.000000 
1 1 1 3   0  15 o 572.5247 10.31758 9627.647       346.1819 9627.647       346.1819 9627.647       346.1819 572.5247 10.31758 572.5247 10.31758 0.000000       0.000000 
1 1 1 3   0  16 o 75.30526 19.10651 195.3929       72.95619 195.3929       72.95619 195.3929       72.95619 75.30526 19.10651 75.30526 19.10651 0.000000       0.000000 
1 1 1 3   0  17 o 1558.126 26.13061 71486.25       2386.312 71486.25       2386.312 71486.25       2386.312 1558.126 26.13061 1558.126 26.13061 0.000000       0.000000 
1 1 1 3   0  18 o 477.2478 9.109390 6688.968       254.7574 6688.968       254.7574 6688.968       254.7574 477.2478 9.109390 477.2478 9.109390 0.000000       0.000000 
1 1 1 3   0  19 o 702.0453 12.41810 14477.84       510.9335 14477.84       510.9335 14477.84       510.9335 702.0453 12.41810 702.0453 12.41810 0.000000       0.000000 
1 1 1 3   0  20 o 369.5973 8.606834 4013.839       186.3333 4013.839       186.3333 4013.839       186.3333 369.5973 8.606834 369.5973 8.606834 0.000000       0.000000 
1 1 1 3   0  21 o 195.8242 10.44804 1134.786       119.2067 1134.786       119.2067 1134.786       119.2067 195.8242 10.44804 195.8242 10.44804 0.000000       0.000000 
1 1 1 3   0  22 o 141.0880 11.94524 596.7029       97.14824 596.7029       97.14824 596.7029       97.14824 141.0880 11.94524 141.0880 11.94524 0.000000       0.000000 
1 1 1 3   0  23 o 186.5603 9.262612 1028.801       100.7727 1028.801       100.7727 1028.801       100.7727 186.5603 9.262612 186.5603 9.262612 0.000000       0.000000 
1 1 1 3   0  24 f 327.8068 8.141880 3158.797       156.3102 3158.797       156.3102 3158.797       156.3102 327.8068 8.141880 327.8068 8.141880 0.000000       0.000000 
1 1 1 3   0  25 o 906.0340 15.60898 24156.44       828.8554 24156.44       828.8554 24156.44       828.8554 906.0340 15.60898 906.0340 15.60898 0.000000       0.000000 
1 1 1 3   0  26 o 886.7972 15.30825 23149.79       795.6254 23149.79       795.6254 23149.79       795.6254 886.7972 15.30825 886.7972 15.30825 0.000000       0.000000 
1 1 1 3   0  27 o 306.7001 7.790596 2766.185       139.9270 2766.185       139.9270 2766.185       139.9270 306.7001 7.790596 306.7001 7.790596 0.000000       0.000000 
1 1 1 3   0  28 o 250.6601 8.011477 1850.114       117.5010 1850.114       117.5010 1850.114       117.5010 250.6601 8.011477 250.6601 8.011477 0.000000       0.000000 
1 1 1 3   0  29 o 595.1581 15.20356 10453.88       529.8920 10453.88       529.8920 10453.88       529.8920 595.1581 15.20356 595.1581 15.20356 0.000000       0.000000 
1 1 1 3   0  30 o 36.91617 21.43274 49.32267       76.00488 49.32267       76.00488 49.32267       76.00488 36.91617 21.43274 36.91617 21.43274 0.000000       0.000000 
1 1 1 3   0  31 o 59.04199 22.69892 140.2768       74.35864 140.2768       74.35864 140.2768       74.35864 59.04199 22.69892 59.04199 22.69892 0.000000       0.000000 
1 1 1 3   0  32 o 304.5152 7.725735 2728.367       137.7740 2728.367       137.7740 2728.367       137.7740 304.5152 7.725735 304.5152 7.725735 0.000000       0.000000 
1 1 1 3   0  33 f 161.2203 10.47621 773.7761       98.08212 773.7761       98.08212 773.7761       98.08212 161.2203 10.47621 161.2203 10.47621 0.000000       0.000000 
1 1 1 3   0  34 o 191.3671 10.53359 1086.422       117.3964 1086.422       117.3964 1086.422       117.3964 191.3671 10.53359 191.3671 10.53359 0.000000       0.000000 
1 1 1 3   0  35 o 47.36745 25.50831 95.43936       98.10481 95.43936       98.10481 95.43936       98.10481 47.36745 25.50831 47.36745 25.50831 0.000000       0.000000 
1 1 1 3   0  36 o 86.64185 24.19938 268.4367       106.3932 268.4367       106.3932 268.4367       106.3932 86.64185 24.19938 86.64185 24.19938 0.000000       0.000000 
1 1 1 3   0  37 o 380.8062 9.262575 4271.806       206.5882 4271.806       206.5882 4271.806       206.5882 380.8062 9.262575 380.8062 9.262575 0.000000       0.000000 
1 1 1 3   0  38 o 49.29038 26.77652 103.9024       109.0167 103.9024       109.0167 103.9024       109.0167 49.29038 26.77652 49.29038 26.77652 0.000000       0.000000 
1 1 1 3   0  39 o 27.04632 18.84612 -98.25077      107.6479 -98.25077      107.6479 -98.25077      107.6479 27.04632 18.84612 27.04632 18.84612 0.000000       0.000000 
1 1 1 3   0  40 o 135.0880 44.29332 721.3655       311.1253 721.3655       311.1253 721.3655       311.1253 135.0880 44.29332 135.0880 44.29332 0.000000       0.000000 
1 1 1 3   0  41 o 20.18904 14.75043 -255.3815      106.8278 -255.3815      106.8278 -255.3815      106.8278 20.18904 14.75043 20.18904 14.75043 0.000000       0.000000 
1 1 1 3   0  42 o 18.06939 13.28757 -274.0224      97.29968 -274.0224      97.29968 -274.0224      97.29968 18.06939 13.28757 18.06939 13.28757 0.000000       0.000000 
1 1 1 3   0  43 f 369.1277 11.07462 4046.945       239.2598 4046.945       239.2598 4046.945       239.2598 369.1277 11.07462 369.1277 11.07462 0.000000       0.000000 
1 1 1 3   0  44 o 229.9619 11.86055 1583.257       158.9832 1583.257       158.9832 1583.257       158.9832 229.9619 11.86055 229.9619 11.86055 0.000000       0.000000 
1 1 1 3   0  45 o 30.39695 20.49296 -38.53382      105.5094 -38.53382      105.5094 -38.53382      105.5094 30.39695 20.49296 30.39695 20.49296 0.000000       0.000000 
1 1 1 3   0  46 o 166.9710 14.01058 853.1095       134.8934 853.1095       134.8934 853.1095       134.8934 166.9710 14.01058 166.9710 14.01058 0.000000       0.000000 
1 1 1 3   0  47 o 157.2944 14.88291 764.6682       134.2998 764.6682       134.2998 764.6682       134.2998 157.2944 14.88291 157.2944 14.88291 0.000000       0.000000 
1 1 1 3   0  48 o 36.88769 24.05050 5.322443       126.6018 5.322443       126.6018 5.322443       126.6018 36.88769 24.05050 36.88769 24.05050 0.000000       0.000000 
1 1 1 3   0  49 o 177.6785 16.29003 984.8383       166.2950 984.8383       166.2950 984.8383       166.2950 177.6785 16.29003 177.6785 16.29003 0.000000       0.000000 
1 1 1 3   0  50 o 290.4673 13.28348 2559.925       225.2059 2559.925       225.2059 2559.925       225.2059 290.4673 13.28348 290.4673 13.28348 0.000000       0.000000 
1 1 1 3   0  51 o 152.1697 20.54141 758.8129       173.9223 758.8129       173.9223 758.8129       173.9223 152.1697 20.54141 152.1697 20.54141 0.000000       0.000000 
1 1 1 3   1  0  o 303.7794 8.958933 2710.810       159.4374 2778.777       227.5713 2645.286       223.4426 307.3028 12.65408 299.8110 12.73675 7.491821       17.95412 
1 1 1 3   1  1  o 457.2613 16.57517 6157.881       443.7658 6157.881       443.7658 0.000000       0.000000 457.2613 16.57517 ?        ?        0.000000       16.57517 
1 1 1 3   1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   1  3  o 211.2498 5.964281 1310.175       73.81932 1317.845       102.7977 1302.009       106.0719 211.7507 8.293704 210.4537 8.612150 1.297058       11.95636 
1 1 1 3   1  4  o 303.7950 4.570290 2706.959       81.42820 2775.740       117.7849 2643.993       112.6973 307.5933 6.529233 300.2076 6.400901 7.385742       9.143435 
1 1 1 3   1  5  o 1132.837 13.50187 37707.54       897.0402 37862.27       1275.906 37556.31       1261.431 1133.999 19.18472 1129.442 19.04360 4.557495       27.03168 
1 1 1 3   1  6  o 427.8412 5.689667 5369.594       142.7644 5314.083       199.4882 5427.871       204.4001 425.5497 7.993121 430.0773 8.103714 -4.527649      11.38245 
1 1 1 3   1  7  f 1131.466 13.48905 37623.14       895.1039 37433.40       1256.463 37818.68       1275.487 1127.395 19.00304 1133.133 19.19309 -5.737549      27.00908 
1 1 1 3   1  8  o 223.1460 4.083120 1460.482       53.43573 1456.125       75.28063 1464.907       75.86179 222.7134 5.768358 223.3832 5.795474 -0.6698608     8.176886 
1 1 1 3   1  9  o 606.6807 7.567816 10802.71       269.2658 10748.66       378.4942 10858.09       383.1472 604.8918 10.66918 607.9555 10.74591 -3.063660      15.14285 
1 1 1 3   1  10 o 649.9638 8.051108 12403.27       306.8989 12383.46       433.0286 12423.26       435.0194 649.0449 11.37605 650.0823 11.41011 -1.037476      16.11226 
1 1 1 3   1  11 o 274.8329 4.503677 2215.901       72.59161 2227.946       102.7036 2203.876       102.6165 275.5183 6.356012 274.0248 6.385236 1.493500       9.009446 
1 1 1 3   1  12 f 820.6167 9.968197 19790.25       479.7417 19525.50       665.6268 20076.45       692.0594 814.2596 13.93854 825.5770 14.29339 -11.31732      19.96457 
1 1 1 3   1  13 o 522.1364 6.726033 8001.508       205.9650 7948.731       288.7109 8056.206       293.9159 520.1866 9.463535 523.6812 9.569859 -3.494568      13.45885 
1 1 1 3   1  14 f 886.6017 10.72079 23092.00       557.4499 22742.13       771.1983 23474.82       806.7062 879.1096 14.95797 893.0643 15.40218 -13.95471      21.47016 
1 1 1 3   1  15 o 318.7388 5.030177 2980.072       94.03049 2942.377       131.1681 3019.923       134.8674 316.6682 7.062740 320.8110 7.168154 -4.142761      10.06304 
1 1 1 3   1  16 o 812.5601 9.906012 19380.88       472.0683 19202.72       658.8662 19568.81       676.7018 808.4189 13.89665 816.0599 14.13920 -7.640930      19.82508 
1 1 1 3   1  17 o 530.7308 6.909933 8263.611       215.0793 8196.696       301.0478 8333.375       307.3876 528.4585 9.713461 532.8401 9.836461 -4.381592      13.82416 
1 1 1 3   1  18 o 364.5124 5.543910 3897.412       118.5165 3799.149       163.6063 4005.913       171.9178 359.8361 7.752554 369.4930 7.933489 -9.656952      11.09245 
1 1 1 3   1  19 o 226.8685 5.721113 1510.749       76.06042 1495.056       106.1639 1527.299       109.0245 225.5787 8.037533 227.9942 8.166801 -2.415497      11.45856 
1 1 1 3   1  20 f 1064.870 12.81494 33311.93       800.3202 33602.70       1145.232 33034.38       1118.876 1068.509 18.27531 1059.492 18.00668 9.017578       25.65594 
1 1 1 3   1  21 o 1214.275 14.51873 43346.57       1033.942 43519.78       1470.751 43177.33       1453.827 1215.131 20.63789 1210.388 20.48036 4.743286       29.07521 
1 1 1 3   1  22 f 559.9552 7.395970 9201.156       242.8840 9091.513       338.6907 9317.241       348.4990 556.4132 10.37900 563.2649 10.54965 -6.851685      14.79928 
1 1 1 3   1  23 o 401.3263 6.050883 4725.640       142.4187 4686.761       199.7858 4765.810       203.0753 399.5611 8.525718 402.9129 8.594000 -3.351868      12.10557 
1 1 1 3   1  24 o 621.3853 7.956616 11335.71       289.9612 11494.52       417.1886 11187.31       403.2983 625.3425 11.37533 616.9585 11.14602 8.383972       15.92583 
1 1 1 3   1  25 o 250.7315 5.825048 1844.834       85.65624 1759.201       119.2312 1936.167       123.1356 244.6088 8.323391 256.6409 8.191506 -12.03212      11.67817 
1 1 1 3   1  26 o 514.2644 6.919275 7764.693       208.6881 7839.275       298.5093 7693.397       291.8620 516.4037 9.856391 511.5929 9.727529 4.810852       13.84822 
1 1 1 3   1  27 o 379.5590 5.835142 4228.870       129.8916 4176.778       180.9510 4284.246       186.5667 377.0274 8.183471 381.8329 8.331253 -4.805573      11.67814 
1 1 1 3   1  28 o 362.6785 6.733236 3863.219       143.2175 3733.231       248.0255 3928.241       175.4172 355.7330 11.90513 365.5807 8.181602 -9.847687      14.44544 
1 1 1 3   1  29 o 158.8729 6.574175 742.6630       61.12268 682.4632       84.49438 808.7472       88.52766 151.9917 9.526804 165.5508 9.153583 -13.55907      13.21166 
1 1 1 3   1  30 f 319.4594 5.520535 2996.624       103.4302 3130.454       151.0353 2878.437       141.9334 326.2878 7.892727 312.8953 7.734553 13.39249       11.05072 
1 1 1 3   1  31 o 143.1063 7.085871 603.4158       59.28568 539.5573       82.97730 670.0093       84.73557 134.8853 10.57370 150.5237 9.649477 -15.63837      14.31487 
1 1 1 3   1  32 o 82.30921 12.11185 204.2623       56.72035 256.1630       82.70089 158.1651       77.94002 91.61945 15.97151 71.51818 18.45780 20.10126       24.40860 
1 1 1 3   1  33 o 255.7782 5.914756 1921.676       88.72601 1861.326       125.0400 1982.878       125.9197 251.3631 8.494174 259.4783 8.285124 -8.115204      11.86568 
1 1 1 3   1  34 o 227.8175 6.617424 1526.400       88.32141 1579.802       127.5211 1477.165       122.4442 231.4287 9.415037 223.7811 9.350225 7.647537       13.26912 
1 1 1 3   1  35 o 444.6069 6.624730 5809.555       172.7408 5864.029       248.1044 5758.305       240.6508 446.1650 9.481750 442.1670 9.280052 3.997955       13.26736 
1 1 1 3   1  36 o 279.2950 6.344904 2292.696       103.9295 2364.271       150.6325 2227.667       143.5781 283.1364 9.083111 274.8549 8.918865 8.281464       12.72985 
1 1 1 3   1  37 o 473.9814 6.986701 6608.972       194.2155 6485.767       270.1508 6740.764       279.4076 468.8103 9.825587 477.8932 9.969120 -9.082825      13.99734 
1 1 1 3   1  38 o 158.9323 8.978209 747.4807       83.34562 739.8094       115.2409 755.8939       120.6844 157.4257 12.58667 159.0332 13.05417 -1.607498      18.13382 
1 1 1 3   1  39 o 33.44827 15.69833 -78.64773      78.04224 -135.0830      111.9720 -25.33354      108.8317 38.37854 18.24708 46.49192 20.49124 -8.113377      27.43805 
1 1 1 3   1  40 f 393.8086 7.482164 4571.496       172.8076 4575.397       194.9351 4557.181       373.4351 393.6967 8.442631 389.0356 16.40404 4.661011       18.44913 
1 1 1 3   1  41 o 59.06203 22.51027 81.00764       108.1475 81.00764       108.1475 0.000000       0.000000 59.06203 22.51027 ?        ?        0.000000       22.51027 
1 1 1 3   1  42 o 199.8708 8.085901 1184.019       94.58687 1159.018       101.4413 1350.488       261.7592 197.5588 8.777145 206.8556 21.90932 -9.296799      23.60205 
1 1 1 3   1  43 o 66.55642 18.57033 141.6108       75.22366 164.5594       109.1047 120.8179       103.8540 71.82914 22.94565 63.97398 22.41523 7.855156       32.07718 
1 1 1 3   1  44 o 49.69775 18.95255 58.75949       76.69283 -9.887609      109.0499 125.9413       107.8797 47.01696 20.62425 64.83307 22.83525 -17.81611      30.77026 
1 1 1 3   1  45 o 188.8082 8.892800 1064.905       98.19466 1091.740       142.1693 1040.425       135.7869 189.2948 12.88287 184.9271 12.59524 4.367737       18.01689 
1 1 1 3   1  46 o 113.9368 13.09720 400.6809       85.92722 287.3700       121.3445 514.6475       121.6952 91.89230 22.66053 127.4680 16.67845 -35.57569      28.13664 
1 1 1 3   1  47 f 61.36184 20.31456 120.5669       85.10915 145.1177       122.8237 97.88987       118.0436 67.61414 24.30730 60.43820 23.39298 7.175941       33.73538 
1 1 1 3   1  48 o 115.3474 14.90358 420.1285       98.46642 594.9950       144.6552 269.1472       134.4133 134.9506 18.78571 86.77788 25.03247 48.17276       31.29741 
1 1 1 3   1  49 o 76.94445 21.26111 204.3792       99.12873 107.7070       140.9169 299.0802       139.4727 63.09964 25.20855 90.75999 25.27268 -27.66036      35.69565 
1 1 1 3   1  50 o 66.42434 22.89478 149.2108       108.1262 81.93205       147.4751 227.4174       159.0016 60.48511 25.16313 78.58202 27.71891 -18.09690      37.43689 
1 1 1 3   1  51 o 36.35904 17.61920 -157.6226      116.2976 -89.06476      164.3147 -226.4397      164.6250 48.98479 22.92205 42.11376 20.53356 6.871029       30.77414 
1 1 1 3   2  0  o 462.3239 11.75827 6281.401       318.5575 6208.457       446.5480 6356.992       454.5758 459.1329 16.61099 464.5877 16.71076 -5.454834      23.56214 
1 1 1 3   2  1  o 119.6837 7.693625 422.0481       53.71682 416.7443       73.77618 428.0323       78.36549 118.6568 10.71704 120.2103 11.24614 -1.553474      15.53482 
1 1 1 3   2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   2  3  o 218.4438 5.955597 1400.853       76.22723 1501.584       109.4721 1306.043       106.2053 226.0533 8.271321 210.7802 8.609563 15.27309       11.93898 
1 1 1 3   2  4  o 378.0655 6.028290 4193.038       133.6631 4121.034       226.8252 4231.343       165.4389 374.5175 10.33676 379.7490 7.428320 -5.231476      12.72904 
1 1 1 3   2  5  o 601.2926 7.502377 10608.70       264.5667 10570.12       372.2331 10648.07       376.1047 600.0145 10.57798 602.2179 10.64890 -2.203430      15.00975 
1 1 1 3   2  6  o 1376.725 32.95427 56263.39       2660.783 0.000000       0.000000 56263.39       2660.783 ?        ?        1376.725 32.95427 0.000000       32.95427 
1 1 1 3   2  7  o 581.6004 7.291469 9925.563       248.7083 9849.895       348.2043 10004.37       355.3580 579.1937 10.25085 583.7082 10.38054 -4.514465      14.58888 
1 1 1 3   2  8  o 592.4285 7.415408 10299.69       257.6449 10540.16       374.9545 10084.59       354.6246 599.0594 10.67230 586.0002 10.31860 13.05920       14.84492 
1 1 1 3   2  9  o 378.2632 5.233407 4197.616       116.0992 4174.439       163.0192 4221.470       165.3844 377.1346 7.370414 379.2502 7.435640 -2.115540      10.46956 
1 1 1 3   2  10 o 263.1973 4.352324 2032.108       67.18203 1986.662       93.21596 2081.229       96.91122 260.1901 6.108704 266.3076 6.204973 -6.117554      8.707351 
1 1 1 3   2  11 f 344.4986 4.985030 3482.046       100.7177 3468.610       141.8803 3495.694       142.9990 343.7394 7.037885 345.0773 7.065876 -1.337891      9.972885 
1 1 1 3   2  12 o 449.7819 5.978110 5936.950       157.6944 6084.023       229.4681 5805.334       217.0749 455.1293 8.596803 444.6055 8.325000 10.52383       11.96706 
1 1 1 3   2  13 o 663.4801 8.228234 12925.20       320.1733 12867.79       449.9612 12984.07       455.6798 661.5842 11.59683 664.5526 11.69176 -2.968445      16.46766 
1 1 1 3   2  14 o 399.9811 5.574177 4693.592       130.7587 4861.396       191.9855 4548.399       178.5827 406.9640 8.043812 393.6596 7.735136 13.30438       11.15954 
1 1 1 3   2  15 o 261.7110 4.727293 2009.009       72.55797 1993.609       101.9582 2024.811       103.2795 260.5856 6.676961 262.6167 6.711157 -2.031036      9.466861 
1 1 1 3   2  16 o 392.5898 5.635005 4521.057       129.7430 4486.137       180.7613 4558.164       186.3341 391.0098 7.882560 394.1305 8.061237 -3.120636      11.27468 
1 1 1 3   2  17 o 1133.830 13.54324 37764.68       900.5774 37622.57       1266.352 37910.11       1280.991 1130.706 19.09652 1134.988 19.24440 -4.281738      27.11133 
1 1 1 3   2  18 o 258.9836 5.295585 1967.366       80.43344 1966.665       113.8702 1968.065       113.6303 258.7924 7.510478 258.8855 7.491919 -0.9307861E-01 10.60830 
1 1 1 3   2  19 o 788.8754 9.711877 18266.88       449.3266 18305.89       637.1732 18228.30       633.7283 789.3260 13.76419 787.6564 13.71879 1.669556       19.43342 
1 1 1 3   2  20 o 519.5187 7.135890 7918.968       217.4202 7683.088       297.3593 8189.932       318.7067 511.5885 9.910832 528.1711 10.28883 -16.58255      14.28582 
1 1 1 3   2  21 o 538.4124 7.289856 8506.097       230.1890 8471.704       324.1341 8541.092       326.9570 537.1511 10.28911 539.3431 10.33653 -2.192078      14.58457 
1 1 1 3   2  22 o 484.5997 6.687496 6890.439       190.0628 7004.860       272.7035 6782.358       265.0392 488.4567 9.519499 480.6436 9.402350 7.813110       13.38002 
1 1 1 3   2  23 o 638.8345 8.115719 11979.65       304.0646 12036.14       432.4191 11924.39       427.6453 640.0052 11.52049 637.0355 11.44642 2.969727       16.24014 
1 1 1 3   2  24 o 32.50130 14.59008 -27.80049      57.81379 -116.7341      86.43140 44.20979       77.77422 33.21985 15.86050 48.88883 18.97018 -15.66898      24.72698 
1 1 1 3   2  25 f 715.2592 8.928796 15028.14       374.5475 15106.85       533.1349 14951.42       526.3112 716.4939 12.68744 712.8176 12.58965 3.676331       17.87374 
1 1 1 3   2  26 o 530.4943 7.060628 8263.068       219.6720 8352.206       314.5547 8178.209       306.9124 532.9943 10.06290 527.4325 9.921950 5.561829       14.13177 
1 1 1 3   2  27 o 115.8845 8.745543 396.9425       58.99911 371.8080       86.01987 419.2700       81.07426 111.5069 13.42332 118.7457 11.79751 -7.238831      17.87084 
1 1 1 3   2  28 o 47.34586 16.30418 60.29272       54.83051 48.17101       79.52317 71.27750       75.70197 49.77847 19.21834 53.20076 19.08833 -3.422295      27.08706 
1 1 1 3   2  29 o 174.9790 6.260232 900.3552       64.13965 808.5609       87.21938 1008.456       94.64986 165.5453 9.017551 184.9631 8.750188 -19.41786      12.56511 
1 1 1 3   2  30 o 466.4041 7.564835 6395.017       206.9247 6654.222       261.1076 5957.363       339.2835 475.4435 9.364188 448.9021 12.90064 26.54141       15.94097 
1 1 1 3   2  31 o 123.6200 7.855482 451.2257       56.65782 401.2896       79.03189 504.0266       81.26739 116.0186 11.77820 130.3171 10.72813 -14.29855      15.93169 
1 1 1 3   2  32 o 114.5252 9.171509 388.6288       61.08720 341.3759       88.93959 430.8273       84.04844 106.3766 14.64420 120.1911 12.08755 -13.81451      18.98846 
1 1 1 3   2  33 o 160.8986 7.326308 762.6732       68.95202 841.6489       103.4390 699.5168       92.50099 168.6461 10.51046 153.7157 10.32053 14.93042       14.73034 
1 1 1 3   2  34 o 438.8293 6.613189 5658.786       170.1991 5676.293       242.6753 5641.836       238.7679 439.0334 9.424915 437.7232 9.300918 1.310272       13.24145 
1 1 1 3   2  35 o 126.4246 10.20360 474.1975       75.01242 562.7213       109.3849 395.6088       103.0642 137.1927 13.78137 114.3889 15.78308 22.80373       20.95309 
1 1 1 3   2  36 o 157.1350 8.668056 729.3594       79.57182 717.1993       118.8441 739.2402       107.1287 155.0719 13.19268 157.7381 11.66276 -2.666183      17.60871 
1 1 1 3   2  37 o 336.2037 9.048157 3334.920       178.2453 3227.736       219.6690 3541.518       304.9774 330.1708 11.36128 344.6023 15.12719 -14.43149      18.91853 
1 1 1 3   2  38 o 56.73335 18.77805 92.80655       72.72263 87.74239       77.16413 133.0370       217.4898 56.23733 19.34268 79.96367 31.51818 -23.72634      36.98020 
1 1 1 3   2  39 o 69.72176 18.38800 151.7455       76.25378 151.2740       80.56416 155.8014       236.2910 69.66805 19.13453 83.81242 32.90778 -14.14438      38.06642 
1 1 1 3   2  40 o 155.2884 9.816242 716.3044       88.94193 668.0399       93.93594 1134.356       276.4601 149.7464 10.76798 189.5855 25.51121 -39.83911      27.69063 
1 1 1 3   2  41 o 122.1425 11.90317 448.4377       84.18624 458.9401       88.67482 352.5048       268.0024 123.4465 12.41664 103.9572 36.03448 19.48925       38.11374 
1 1 1 3   2  42 o 48.32664 18.83676 48.10213       76.95476 52.78482       80.95585 4.211025       247.8499 49.86074 19.35238 70.62031 31.03175 -20.75956      36.57162 
1 1 1 3   2  43 o 330.2281 6.976107 3223.893       135.1069 3187.009       148.6117 3399.615       324.3722 328.0333 7.724750 332.4485 16.69014 -4.415192      18.39110 
1 1 1 3   2  44 o 136.9463 10.82665 565.3408       86.24805 563.2897       121.6496 567.4139       122.2993 134.7296 15.68880 135.2154 15.71464 -0.4858093     22.20559 
1 1 1 3   2  45 o 174.9764 9.295922 916.5687       95.05201 962.9282       135.1754 871.2261       133.6847 177.6155 13.06825 168.6104 13.63530 9.005112       18.88651 
1 1 1 3   2  46 o 122.6559 12.69941 462.3918       90.03291 360.7415       130.4102 554.9634       124.4503 103.4831 22.15608 132.6013 16.34864 -29.11823      27.53489 
1 1 1 3   2  47 o 29.22067 14.31478 -149.3229      82.83042 -146.4491      125.4291 -151.5453      110.3031 39.43139 18.90145 35.85803 17.32379 3.573364       25.63939 
1 1 1 3   2  48 o 123.2868 14.15207 476.1029       100.4731 370.8738       145.0468 573.1695       139.3076 102.3782 24.48746 132.6714 18.39841 -30.29318      30.62902 
1 1 1 3   2  49 o 143.9679 12.86399 642.7429       107.4723 570.7336       155.2268 709.0422       148.9454 129.9493 21.09008 147.9931 17.49880 -18.04378      27.40437 
1 1 1 3   2  50 o 103.4876 19.19052 359.2078       112.1855 181.3791       156.0257 549.5454       161.4201 72.52116 27.17137 125.6040 22.75051 -53.08284      35.43824 
1 1 1 3   2  51 f 123.0310 18.21474 500.4426       127.4626 449.4078       177.7507 554.4636       182.8774 108.4617 27.81343 122.6149 26.22482 -14.15312      38.22732 
1 1 1 3   3  0  o 477.1700 12.01804 6691.671       336.0560 6765.664       478.4651 6619.630       472.1085 479.2650 17.04969 474.0630 17.00825 5.201965       24.08262 
1 1 1 3   3  1  o 225.9616 7.799870 1500.023       103.2098 1544.947       145.7774 1454.873       146.1447 229.1266 10.87944 222.3035 11.24603 6.823074       15.64722 
1 1 1 3   3  2  o 150.7277 5.912038 667.4842       52.16000 655.5834       61.82832 696.8635       97.14478 149.3126 7.080755 153.6763 10.84831 -4.363632      12.95465 
1 1 1 3   3  3  o 870.2819 14.87526 22263.90       759.2331 22770.99       1106.740 21813.12       1043.485 878.9765 21.46929 860.4485 20.67812 18.52802       29.80797 
1 1 1 3   3  4  o 488.3397 7.308393 6997.144       209.3122 6717.246       345.2679 7159.784       263.1903 478.0550 12.32509 493.9031 9.086102 -15.84814      15.31225 
1 1 1 3   3  5  o 1026.127 12.28094 30927.52       739.0657 30820.21       1040.566 31036.77       1049.890 1023.501 17.33528 1027.072 17.42980 -3.570984      24.58271 
1 1 1 3   3  6  o 490.0356 6.327948 7044.990       181.8616 6964.132       253.5278 7130.698       261.0181 487.1043 8.874687 492.8871 9.029686 -5.782745      12.66078 
1 1 1 3   3  7  o 1028.625 12.31137 31087.20       742.7004 30740.24       1033.506 31457.71       1068.018 1021.911 17.24446 1033.682 17.61737 -11.77057      24.65245 
1 1 1 3   3  8  o 239.9367 4.193388 1688.596       59.00817 1736.721       84.93884 1643.703       82.03709 243.2999 5.952698 236.6956 5.909755 6.604294       8.388076 
1 1 1 3   3  9  o 361.3920 5.092864 3831.530       107.9422 3889.311       154.8416 3776.904       150.5552 364.0229 7.252844 358.7282 7.156154 5.294678       10.18893 
1 1 1 3   3  10 o 447.3624 5.913439 5872.967       155.1494 5792.819       215.8380 5958.656       223.1746 444.1427 8.286189 450.4426 8.448019 -6.299835      11.83343 
1 1 1 3   3  11 o 570.5701 7.195201 9557.590       240.7701 9524.621       339.1443 9591.091       341.8727 569.2537 10.15847 571.2305 10.20475 -1.976807      14.39901 
1 1 1 3   3  12 f 347.4746 5.037762 3542.451       102.6623 3622.838       148.1727 3468.234       142.3738 351.2954 7.191928 343.7247 7.062667 7.570648       10.07994 
1 1 1 3   3  13 o 255.8594 4.501445 1920.370       67.54665 1903.556       95.69994 1937.063       95.35178 254.6073 6.414105 256.9223 6.328147 -2.314926      9.010338 
1 1 1 3   3  14 f 295.8035 4.796837 2566.683       83.21637 2574.466       118.0711 2559.001       117.3041 296.2018 6.796813 295.3114 6.773022 0.8903198      9.595337 
1 1 1 3   3  15 o 251.9902 4.735456 1862.521       69.98355 1818.255       98.25769 1908.097       99.70147 248.8533 6.738643 254.9346 6.674150 -6.081284      9.484386 
1 1 1 3   3  16 f 1173.295 14.00933 40447.59       963.9957 39789.89       1329.313 41177.13       1400.026 1162.642 19.49533 1182.573 20.18634 -19.93079      28.06343 
1 1 1 3   3  17 o 367.1007 5.507753 3952.919       118.5797 3871.858       164.5332 4040.529       171.0506 363.2658 7.722864 371.0902 7.859492 -7.824402      11.01881 
1 1 1 3   3  18 o 688.2206 8.585439 13899.36       346.5299 13947.29       492.0135 13852.18       488.1439 689.1508 12.17341 686.8015 12.11898 2.349304       17.17736 
1 1 1 3   3  19 o 792.6458 9.793472 18442.40       455.2672 18335.26       637.9146 18553.62       649.9441 789.9506 13.76931 794.6200 13.94652 -4.669373      19.59845 
1 1 1 3   3  20 o 487.6446 6.936359 6976.897       198.3743 7064.926       283.8023 6892.799       277.3948 490.5757 9.864143 484.5682 9.760968 6.007446       13.87724 
1 1 1 3   3  21 o 730.2449 9.147085 15653.24       391.7435 15911.97       564.9170 15413.57       543.7094 735.8591 13.08999 724.2762 12.80006 11.58282       18.30818 
1 1 1 3   3  22 o 914.3937 11.10355 24559.18       595.4502 24595.73       843.7868 24522.92       840.4108 914.3033 15.73591 912.9567 15.69607 1.346680       22.22579 
1 1 1 3   3  23 o 602.7762 7.751940 10664.74       274.0419 10832.67       394.6288 10508.33       380.8461 607.1989 11.08172 598.0635 10.85805 9.135376       15.51457 
1 1 1 3   3  24 o 141.9544 7.700274 593.3065       63.86703 613.4884       93.05537 575.3334       87.81546 144.0488 11.10048 139.5002 10.81809 4.548538       15.50006 
1 1 1 3   3  25 o 203.1833 6.105978 1212.687       72.67762 1359.288       108.5315 1093.501       97.85845 214.9502 8.626818 192.7514 8.678922 22.19882       12.23706 
1 1 1 3   3  26 f 475.5410 6.553036 6638.777       182.7599 6527.300       254.1129 6758.226       263.0415 471.2733 9.193974 479.5186 9.353374 -8.245331      13.11544 
1 1 1 3   3  27 f 218.5653 6.215739 1403.630       79.59451 1371.388       100.6255 1457.522       130.0947 215.8989 7.960707 222.3774 10.00072 -6.478470      12.78230 
1 1 1 3   3  28 o 117.8428 8.386014 410.2857       57.57874 465.8442       86.24319 365.6064       77.33974 125.1714 11.89077 110.7225 12.10725 14.44896       16.96985 
1 1 1 3   3  29 o 138.1951 7.614253 563.0042       61.47363 639.0425       93.36374 504.8101       81.67725 146.8764 10.91672 130.4680 10.77033 16.40837       15.33541 
1 1 1 3   3  30 o 391.2765 5.920849 4496.430       135.8683 4589.338       196.5623 4411.425       188.0162 394.9728 8.485598 387.2713 8.278075 7.701538       11.85462 
1 1 1 3   3  31 o 156.1518 7.831531 718.8842       71.49173 705.7250       117.0364 726.7173       90.29630 153.9678 13.08489 156.7557 9.872048 -2.787857      16.39120 
1 1 1 3   3  32 o 158.1964 7.090510 737.1255       65.61745 671.7630       95.20026 796.2809       90.56717 150.5391 10.85588 164.1620 9.446819 -13.62283      14.39071 
1 1 1 3   3  33 o 389.1446 6.199200 4448.822       141.4807 4431.069       200.2309 4466.522       199.9373 388.0042 8.799219 389.5612 8.751199 -1.557007      12.41007 
1 1 1 3   3  34 o 316.6933 6.275284 2946.612       116.5528 2976.518       167.7499 2918.700       162.0586 317.8509 9.007961 314.7821 8.786919 3.068787       12.58385 
1 1 1 3   3  35 o 337.7294 6.230206 3351.415       123.4019 3354.144       175.6909 3348.758       173.3656 337.4023 8.886460 337.1511 8.775207 0.2512817      12.48893 
1 1 1 3   3  36 o 206.8785 8.490287 1262.373       102.7932 1293.370       114.2467 1130.618       235.5426 209.2816 9.331592 192.7954 21.17995 16.48618       23.14452 
1 1 1 3   3  37 o 340.4482 6.964069 3409.856       139.0480 3369.456       155.4639 3571.421       310.8927 338.2791 7.836169 345.9299 15.36231 -7.650818      17.24547 
1 1 1 3   3  38 o 42.90731 17.66781 18.64751       71.68319 25.25523       75.09486 -49.15681      240.5543 44.76279 18.21667 68.31065 30.26942 -23.54785      35.32824 
1 1 1 3   3  39 o 107.9758 12.19608 350.3046       75.88191 350.7516       80.08729 346.3801       237.2903 107.8902 12.91319 104.2197 33.88859 3.670525       36.26551 
1 1 1 3   3  40 o 124.3579 11.75628 463.3747       84.72420 449.5308       89.11830 593.4660       273.1877 122.2737 12.60805 132.4091 34.74897 -10.13544      36.96558 
1 1 1 3   3  41 o 93.53127 15.11771 269.3614       80.09902 270.4323       84.49815 259.8723       251.5243 93.47381 15.98791 93.56396 34.60602 -0.9015656E-01 38.12073 
1 1 1 3   3  42 o 289.3554 7.096631 2472.897       120.4299 2415.758       130.7529 2792.500       309.2341 285.6728 7.811597 301.5594 17.56091 -15.88663      19.21995 
1 1 1 3   3  43 o 152.5393 9.612871 695.5877       85.56007 684.4398       90.57130 788.0483       260.8382 151.1004 10.28181 150.6626 30.56623 0.4377747      32.24919 
1 1 1 3   3  44 o 125.2987 10.94590 474.1404       79.62894 482.1602       83.04244 382.5615       280.6175 126.2296 11.33796 102.1727 36.73990 24.05698       38.44957 
1 1 1 3   3  45 o 404.1479 8.096005 4856.363       191.8941 4973.975       270.8522 4737.832       271.9094 406.1507 11.38212 396.0583 11.71905 10.09235       16.33673 
1 1 1 3   3  46 o 255.8073 8.396435 1953.317       125.7968 1995.859       179.4203 1912.184       176.4247 256.2684 11.97093 250.7846 12.03029 5.483749       16.97148 
1 1 1 3   3  47 o 126.6464 13.05724 495.6353       95.59431 379.1494       135.8536 609.8752       134.5376 105.3663 22.65827 138.3477 16.93403 -32.98144      28.28707 
1 1 1 3   3  48 o 167.5016 11.11923 855.1299       108.6122 853.1404       151.7707 857.2184       155.4989 164.0814 15.97365 164.1760 16.36766 -0.9457397E-01 22.87045 
1 1 1 3   3  49 f 91.69781 20.06942 285.0238       104.9273 200.9758       151.2720 362.9577       145.6660 75.49645 26.99552 100.4240 24.86532 -24.92760      36.70207 
1 1 1 3   3  50 o 56.09298 22.32291 80.08265       110.0793 22.25103       159.6622 132.4784       151.9734 56.33047 24.82381 66.37988 26.28939 -10.04941      36.15735 
1 1 1 3   3  51 o 62.19831 23.65563 119.5483       119.2750 158.8252       171.6645 82.88853       165.8465 70.19880 27.89604 62.12636 26.31494 8.072441       38.34925 
1 1 1 3   4  0  o 88.04480 6.674790 228.7319       34.20930 217.4831       46.47699 242.0313       50.53600 85.56265 9.417510 90.28577 9.695747 -4.723114      13.51655 
1 1 1 3   4  1  o 636.6670 15.25136 11916.86       569.4706 11394.64       778.1728 12519.00       835.5960 621.4288 21.38364 651.3029 21.90692 -29.87408      30.61329 
1 1 1 3   4  2  o 699.6374 9.742150 14368.86       399.7407 14293.52       562.3611 14445.80       568.3235 697.4383 13.74862 701.1357 13.82111 -3.697449      19.49481 
1 1 1 3   4  3  o 511.3021 8.244035 7671.881       247.2110 7761.896       320.9438 7540.565       387.6441 514.1642 10.64331 506.4528 13.06190 7.711365       16.84913 
1 1 1 3   4  4  o 413.4963 7.956144 5017.271       192.9411 5137.132       279.5107 4908.177       266.6625 418.0970 11.40977 408.6882 11.13587 9.408844       15.94336 
1 1 1 3   4  5  o 403.2867 6.339564 4771.447       149.9422 4903.973       269.4156 4711.979       180.4756 408.4904 11.25653 400.7222 7.679352 7.768280       13.62652 
1 1 1 3   4  6  o 580.6123 7.289897 9891.917       248.2323 9853.383       349.4319 9931.175       352.6978 579.2906 10.28527 581.5687 10.34073 -2.278076      14.58484 
1 1 1 3   4  7  o 272.6744 4.375296 2180.841       69.96846 2111.200       95.99484 2259.771       102.1968 268.2519 6.101752 277.5261 6.278892 -9.274170      8.755333 
1 1 1 3   4  8  o 565.4893 7.129008 9384.686       236.4308 9394.877       334.6059 9374.522       334.1219 565.5677 10.08785 564.9551 10.08418 0.6126709      14.26378 
1 1 1 3   4  9  o 234.9789 4.181132 1619.651       57.62001 1570.727       79.77728 1673.007       83.31158 231.2906 5.886047 238.7777 5.949234 -7.487106      8.368927 
1 1 1 3   4  10 o 292.0270 4.557839 2501.851       78.06071 2418.485       107.4775 2594.924       113.5627 287.0584 6.384059 297.3398 6.512264 -10.28143      9.119529 
1 1 1 3   4  11 o 323.0699 4.806208 3062.229       91.06458 3084.218       129.6224 3040.799       127.9632 324.1430 6.818563 321.8552 6.779130 2.287781       9.615061 
1 1 1 3   4  12 o 252.0683 4.422606 1863.938       65.38032 1920.806       94.40858 1811.529       90.63057 255.8322 6.292248 248.3725 6.226775 7.459610       8.852407 
1 1 1 3   4  13 o 265.1902 4.556957 2062.953       70.87333 2123.745       102.1240 2006.470       98.43765 269.0207 6.472792 261.4890 6.418851 7.531708       9.115849 
1 1 1 3   4  14 o 485.2208 6.370441 6907.774       181.2840 6887.053       255.2533 6928.864       257.5101 484.3609 8.985699 485.8258 9.037811 -1.464905      12.74460 
1 1 1 3   4  15 o 351.0717 5.217257 3615.292       107.4209 3556.942       149.9777 3676.760       153.9315 348.1755 7.344766 353.9892 7.414587 -5.813690      10.43656 
1 1 1 3   4  16 o 561.6368 7.217345 9254.521       237.7297 9170.514       331.7786 9343.162       340.8043 558.9435 10.12115 564.1703 10.30017 -5.226807      14.44061 
1 1 1 3   4  17 o 146.0115 6.151088 626.5022       52.55517 602.2388       74.90561 650.0267       73.75619 142.9724 8.978627 148.5922 8.498987 -5.619751      12.36319 
1 1 1 3   4  18 o 656.2818 8.269211 12638.65       318.2768 12472.37       441.4039 12818.73       459.3553 651.7368 11.54817 660.7004 11.85478 -8.963623      16.54981 
1 1 1 3   4  19 o 469.4500 6.658185 6465.539       183.3140 6371.034       254.7708 6566.987       263.9640 465.9006 9.324078 473.0020 9.515489 -7.101471      13.32227 
1 1 1 3   4  20 o 840.9205 10.36947 20761.79       511.4017 20896.12       729.7209 20632.15       716.9117 843.1048 14.75791 837.7861 14.59090 5.318726       20.75307 
1 1 1 3   4  21 o 402.2648 6.348135 4747.491       149.7645 4843.515       215.7512 4658.195       208.0562 406.2063 9.056408 398.3663 8.905279 7.840057       12.70128 
1 1 1 3   4  22 o 155.1661 7.471392 708.1992       67.79082 719.8458       103.6609 699.4963       89.60840 156.1238 11.39985 154.0200 9.973845 2.103760       15.14708 
1 1 1 3   4  23 o 542.0278 7.195425 8622.548       228.7328 8518.020       318.5979 8733.733       328.5875 538.5098 10.08785 545.2687 10.27519 -6.758911      14.39946 
1 1 1 3   4  24 o 174.3169 6.852436 893.2382       69.91786 806.8068       102.2854 969.0430       95.79134 165.3532 10.60341 181.4179 9.031571 -16.06467      13.92844 
1 1 1 3   4  25 o 275.1720 5.614420 2221.992       90.60656 2244.860       127.7185 2198.822       128.5597 276.3753 7.887666 273.5136 8.023153 2.861664       11.25106 
1 1 1 3   4  26 o 607.9769 9.022707 10863.06       321.7173 10759.07       550.8808 10916.88       396.3257 603.5489 15.57606 609.1380 11.09395 -5.589111      19.12301 
1 1 1 3   4  27 o 528.6749 7.030330 8208.787       217.9792 8157.867       304.8721 8262.043       311.7822 526.6321 9.870972 529.9572 10.03136 -3.325134      14.07353 
1 1 1 3   4  28 o 331.9210 5.566756 3234.273       108.3646 3174.006       150.8039 3298.617       155.8206 328.6345 7.824365 335.0132 7.930715 -6.378784      11.14078 
1 1 1 3   4  29 o 306.6230 5.557924 2760.395       99.94655 2747.136       143.9265 2772.743       138.8991 305.5733 8.038074 307.0341 7.719814 -1.460876      11.14478 
1 1 1 3   4  30 o 529.7746 7.047189 8248.521       218.9564 8325.111       313.8250 8175.875       305.6393 531.6099 10.06570 526.8647 9.891441 4.745178       14.11237 
1 1 1 3   4  31 o 169.2817 6.937148 843.6549       68.72588 842.0458       102.1513 844.9857       92.89319 168.7075 10.37443 169.1358 9.401783 -0.4282379     14.00080 
1 1 1 3   4  32 o 313.1071 5.711030 2879.361       104.8716 3008.920       152.0770 2761.886       144.8112 319.7131 8.117158 306.3062 8.068156 13.40692       11.44480 
1 1 1 3   4  33 o 209.9662 6.826660 1297.017       83.95190 1379.020       127.6248 1234.470       111.4617 216.0968 10.09808 204.5423 9.316094 11.55453       13.73903 
1 1 1 3   4  34 o 275.4095 6.937134 2230.828       111.9602 2139.218       121.9711 2721.181       282.1892 269.5956 7.722207 302.3535 15.97048 -32.75790      17.73946 
1 1 1 3   4  35 o 186.1431 8.172188 1021.537       88.99713 1000.785       95.82233 1151.842       240.1105 184.1466 8.898978 194.8004 21.36727 -10.65384      23.14632 
1 1 1 3   4  36 o 173.3355 8.618591 887.0496       87.33939 904.5995       93.62249 769.3068       242.4989 174.9705 9.155423 156.5498 27.41051 18.42070       28.89909 
1 1 1 3   4  37 o 259.1490 7.128423 1977.654       108.2383 1983.795       118.2334 1945.872       268.9797 259.4473 7.779134 254.1454 18.16603 5.301926       19.76157 
1 1 1 3   4  38 o 88.08440 15.66255 238.3337       77.94665 240.0608       82.21778 222.9945       245.0239 88.21896 16.49742 91.43360 34.09178 -3.214645      37.87366 
1 1 1 3   4  39 o 22.68080 11.42037 -215.8536      69.43734 -207.8372      72.46848 -305.7128      242.6272 23.88395 11.97695 54.96091 26.33035 -31.07696      28.92637 
1 1 1 3   4  40 o 143.2748 10.41458 611.3759       86.91338 573.5845       91.58363 953.8234       275.6886 138.5444 11.37140 172.0563 28.30444 -33.51189      30.50327 
1 1 1 3   4  41 o 32.05790 15.13594 -80.89010      74.50642 -63.90789      78.15018 -250.3692      246.8829 34.61511 16.06668 57.23261 27.17773 -22.61750      31.57162 
1 1 1 3   4  42 o 36.16813 16.29716 -32.01649      72.89869 -42.88754      76.26820 82.92322       247.9951 35.96938 16.39026 76.07620 32.19923 -40.10683      36.13075 
1 1 1 3   4  43 o 168.1364 9.001283 842.7836       88.43637 844.4024       94.33244 831.0352       254.1323 168.1073 9.608073 156.0203 28.83526 12.08708       30.39387 
1 1 1 3   4  44 o 165.5171 9.264508 818.9389       89.57341 818.0927       94.66389 826.1783       276.8822 165.2408 9.812432 151.7831 32.10829 13.45766       33.57418 
1 1 1 3   4  45 o 49.73177 19.48214 54.36567       82.65802 14.64634       86.09195 522.6795       295.6174 44.68261 18.94442 114.2492 37.86166 -69.56662      42.33670 
1 1 1 3   4  46 o 55.53830 22.54356 61.88838       114.6567 85.82458       125.0262 -64.71844      287.5425 59.93058 23.80972 67.50059 31.15020 -7.570007      39.20763 
1 1 1 3   4  47 o 96.42590 16.08148 297.2314       87.74214 248.1386       127.2278 341.7578       121.1663 84.18825 24.37493 100.7521 21.17929 -16.56387      32.29086 
1 1 1 3   4  48 o 114.5147 15.77912 417.9117       103.1589 394.8633       144.1006 442.1406       147.7451 106.2083 23.73273 113.0653 23.06317 -6.857010      33.09309 
1 1 1 3   4  49 o 65.55803 22.58402 142.8736       105.2060 121.7735       150.4997 163.0381       147.1251 65.49136 26.08891 70.30557 26.37589 -4.814209      37.09877 
1 1 1 3   4  50 o 46.50711 20.43193 2.504189       107.3983 -95.06041      159.0162 84.33728       145.6330 47.90337 22.45890 60.45858 25.06612 -12.55521      33.65580 
1 1 1 3   4  51 o 70.35796 24.02527 173.9193       118.9928 173.8049       170.5595 174.0278       166.0919 71.75562 28.02177 71.60294 27.73915 0.1526718      39.42943 
1 1 1 3   5  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   5  1  o 1065.002 25.61604 33501.66       1599.974 33501.66       1599.974 0.000000       0.000000 1065.002 25.61604 ?        ?        0.000000       25.61604 
1 1 1 3   5  2  o 864.6293 16.61716 21989.02       842.6304 21339.05       1012.138 23456.87       1521.028 851.1210 20.27673 889.7348 29.18867 -38.61383      35.54046 
1 1 1 3   5  3  o 897.6071 12.12907 23664.94       638.5051 23915.75       914.9882 23426.88       891.4374 901.5864 17.30444 892.3701 17.03316 9.216309       24.28111 
1 1 1 3   5  4  o 901.7899 13.60257 23898.41       719.4107 24245.65       940.3419 23408.30       1117.153 907.6461 17.66521 891.0840 21.37683 16.56207       27.73136 
1 1 1 3   5  5  o 476.8262 7.198527 6671.450       201.3049 6911.771       365.5179 6566.822       241.1768 484.8267 12.86636 473.0027 8.694036 11.82407       15.52834 
1 1 1 3   5  6  o 387.6214 5.337907 4407.611       121.3471 4299.869       167.0414 4528.004       176.5766 382.7849 7.440786 392.7993 7.664995 -10.01434      10.68258 
1 1 1 3   5  7  o 556.7137 7.048417 9095.207       230.1304 8929.661       317.3398 9278.837       334.2233 551.4286 9.812613 562.0787 10.13886 -10.65002      14.10971 
1 1 1 3   5  8  o 108.5762 4.616864 346.4468       29.33187 347.3853       42.83379 345.6181       40.24975 108.5883 6.759456 108.3396 6.362701 0.2487411      9.283007 
1 1 1 3   5  9  o 95.54948 4.917627 268.5618       27.46446 294.2197       40.87399 247.4422       37.08333 99.86971 7.023291 91.55030 6.958795 8.319412       9.886932 
1 1 1 3   5  10 o 267.8882 4.399308 2105.314       69.11756 2122.440       98.02901 2088.384       97.46740 268.9172 6.215636 266.7504 6.230225 2.166748       8.800558 
1 1 1 3   5  11 o 74.67656 6.340405 164.8462       27.50619 153.4908       40.97610 174.1598       37.10987 71.57858 10.03646 76.54968 8.404036 -4.971107      13.09039 
1 1 1 3   5  12 o 620.1660 7.749275 11291.06       281.8510 11577.96       411.4997 11037.53       386.8374 627.6064 11.17974 612.8372 10.76299 14.76923       15.51865 
1 1 1 3   5  13 o 277.3987 4.583487 2257.205       74.56773 2349.725       109.1249 2176.163       102.1315 282.9778 6.575380 272.3312 6.394578 10.64655       9.172037 
1 1 1 3   5  14 o 850.6017 10.30946 21244.59       514.2955 21208.29       725.2635 21281.29       729.4016 849.3160 14.56049 850.7675 14.61858 -1.451538      20.63276 
1 1 1 3   5  15 o 738.4835 9.080239 16005.78       393.2680 16116.10       560.6803 15898.95       551.7570 740.6982 12.90695 735.7028 12.78777 4.995483       18.16911 
1 1 1 3   5  16 o 669.9688 8.358138 13171.17       328.4087 13690.94       487.6993 12739.95       444.2197 682.8002 12.17890 658.7108 11.49880 24.08948       16.74957 
1 1 1 3   5  17 f 796.7236 9.755851 18631.18       455.8515 18413.30       634.1624 18864.12       655.7207 791.6979 13.65810 801.2990 13.95320 -9.601074      19.52526 
1 1 1 3   5  18 o 228.0812 5.577952 1525.942       74.61304 1621.444       109.3414 1442.717       102.0709 234.9375 7.947077 221.6000 7.866313 13.33754       11.18190 
1 1 1 3   5  19 o 56.47589 18.33743 90.59820       69.49224 106.4266       108.0502 79.43233       90.75150 64.53632 22.84232 57.43144 20.86045 7.104877       30.93429 
1 1 1 3   5  20 o 776.8250 9.696079 17715.18       441.7432 17802.11       628.6201 17630.37       620.8901 778.2927 13.77193 774.5422 13.66844 3.750488       19.40341 
1 1 1 3   5  21 o 646.5887 8.299520 12270.49       314.7253 12206.54       441.3234 12336.67       448.9521 644.6221 11.67350 648.0355 11.81274 -3.413330      16.60757 
1 1 1 3   5  22 o 828.0679 10.15936 20137.33       493.3812 20281.40       704.2906 19998.50       691.3813 830.3880 14.46173 824.6047 14.29622 5.783325       20.33528 
1 1 1 3   5  23 o 266.2201 5.792217 2079.473       90.43491 2041.991       125.5039 2119.954       130.4267 263.6112 8.127593 268.5899 8.289846 -4.978729      11.60945 
1 1 1 3   5  24 o 171.5888 6.830206 865.5546       68.59692 930.5012       102.4652 812.8051       92.34377 177.6867 9.871457 166.0642 9.521502 11.62253       13.71513 
1 1 1 3   5  25 f 281.3958 5.588992 2323.688       92.23624 2362.817       133.7060 2288.160       127.4054 283.5287 8.049024 279.0304 7.793122 4.498230       11.20355 
1 1 1 3   5  26 o 98.23355 9.590868 286.3782       54.55158 170.7702       87.95941 358.6396       69.54107 74.59035 19.78511 109.8694 10.93742 -35.27906      22.60703 
1 1 1 3   5  27 o 312.5988 5.484181 2868.284       100.5425 2842.745       139.3525 2896.014       145.2051 311.0603 7.638705 313.8422 7.895232 -2.781860      10.98565 
1 1 1 3   5  28 o 118.9191 8.650022 418.0161       59.91557 378.7112       90.85880 448.2596       79.70032 112.3725 14.09590 122.8542 11.18412 -10.48170      17.99386 
1 1 1 3   5  29 o 216.4712 5.817584 1377.017       73.79034 1365.491       104.6364 1388.419       104.0764 215.3268 8.301346 217.1424 8.187208 -1.815567      11.65945 
1 1 1 3   5  30 o 310.6685 5.588781 2834.230       101.8274 2944.224       152.2266 2745.156       136.9874 316.2722 8.213851 305.4621 7.652705 10.81015       11.22636 
1 1 1 3   5  31 o 263.2389 7.105246 2038.418       109.5929 2039.912       128.4097 2034.411       210.2890 263.1801 8.329928 261.8527 13.74142 1.327423       16.06905 
1 1 1 3   5  32 o 37.40575 17.18693 -62.43301      86.19982 -146.6067      97.71752 232.8244       183.0141 34.21078 16.47223 89.19122 29.79686 -54.98044      34.04683 
1 1 1 3   5  33 o 47.17868 20.30982 -6.497668      101.6978 44.07108       116.6167 -167.0751      207.8079 56.39808 22.79235 56.52925 26.22483 -0.1311646     34.74525 
1 1 1 3   5  34 o 170.5939 8.886245 858.9862       88.59976 799.0944       94.42398 1300.036       256.2372 164.3984 9.838426 207.2209 21.39135 -42.82248      23.54537 
1 1 1 3   5  35 o 529.8414 7.802176 8258.773       242.4444 8160.104       276.7257 8584.643       502.8961 526.3953 8.963693 537.2045 15.97979 -10.80927      18.32216 
1 1 1 3   5  36 o 182.7892 8.390203 985.9355       89.70439 941.7102       96.06551 1287.090       250.6842 178.5183 9.206697 205.8026 21.06640 -27.28433      22.99036 
1 1 1 3   5  37 o 174.4066 8.789870 899.0097       89.61767 840.4267       95.07686 1365.644       268.3349 168.4734 9.663146 211.2490 21.97970 -42.77557      24.01007 
1 1 1 3   5  38 o 364.7940 6.933069 3916.801       148.3282 3883.654       164.4558 4061.368       343.4519 363.0848 7.723080 368.2220 15.94175 -5.137177      17.71399 
1 1 1 3   5  39 f 86.62640 16.61980 232.2939       81.36549 210.1799       85.49136 444.9543       265.1139 81.97694 18.25113 115.9917 35.58385 -34.01474      39.99143 
1 1 1 3   5  40 o 111.3482 13.67320 375.5073       87.41791 345.2622       92.63181 621.7140       264.2913 106.2741 15.30268 135.8335 33.41077 -29.55946      36.74849 
1 1 1 3   5  41 o 175.0417 8.951324 909.5110       91.58721 916.2654       98.00445 862.9433       257.3340 175.5442 9.555408 162.2685 28.05502 13.27576       29.63765 
1 1 1 3   5  42 o 191.7899 8.215364 1091.526       92.19256 1105.233       98.94303 1001.239       253.9469 192.8336 8.771839 175.1445 25.46842 17.68913       26.93670 
1 1 1 3   5  43 o 178.4307 8.712106 948.0954       90.89258 926.8469       96.72347 1108.561       265.8018 176.1963 9.394145 183.2542 25.41489 -7.057877      27.09550 
1 1 1 3   5  44 o 159.7682 9.577265 764.3427       89.32729 719.0996       94.33522 1156.844       277.8553 154.6403 10.46322 185.5540 26.26619 -30.91368      28.27352 
1 1 1 3   5  45 o 170.9003 9.648825 876.5106       96.31636 875.4091       102.0203 885.5430       292.1433 170.5444 10.24723 154.4049 33.24568 16.13954       34.78909 
1 1 1 3   5  46 o 203.9908 12.48644 1270.676       148.6669 1270.676       148.6669 0.000000       0.000000 203.9908 12.48644 ?        ?        0.000000       12.48644 
1 1 1 3   5  47 o 165.5141 13.70844 848.1443       131.8755 915.5583       146.6601 563.4424       301.3923 171.3099 14.74072 114.2088 38.23936 57.10111       40.98216 
1 1 1 3   5  48 o 105.6643 16.87266 360.8232       101.0443 295.8089       148.6653 416.6442       137.7541 89.99100 26.43254 110.3330 22.06020 -20.34195      34.42864 
1 1 1 3   5  49 o 114.1116 16.35841 419.5005       106.3496 338.8254       153.0571 494.8090       147.8787 95.74789 26.40403 120.2339 21.77284 -24.48602      34.22323 
1 1 1 3   5  50 o 208.9438 10.33853 1328.597       126.2955 1289.907       183.5034 1363.418       174.0861 201.2074 15.67426 208.2236 14.34316 -7.016205      21.24638 
1 1 1 3   5  51 o 177.4394 12.77965 979.1956       132.0993 969.2087       190.4568 988.4538       183.3776 170.4393 19.39836 173.2362 18.32672 -2.796844      26.68642 
1 1 1 3   6  0  o 498.3594 17.61202 7317.688       513.9479 0.000000       0.000000 7317.688       513.9479 ?        ?        498.3594 17.61202 0.000000       17.61202 
1 1 1 3   6  1  o 371.7924 7.306206 4055.905       159.3100 4079.980       187.0568 3992.328       303.9773 372.8518 8.554346 368.2917 14.09943 4.560120       16.49154 
1 1 1 3   6  2  o 244.6346 5.072395 1755.445       72.77487 1740.483       99.48482 1772.668       106.7358 243.4574 6.974792 245.6779 7.416362 -2.220505      10.18087 
1 1 1 3   6  3  o 581.2592 9.112234 9917.406       310.6313 9838.603       493.3101 9969.181       399.8609 578.3115 14.55637 582.5839 11.70307 -4.272339      18.67752 
1 1 1 3   6  4  o 713.9229 12.43672 14975.46       520.7239 14995.60       736.8651 14955.37       735.9653 713.6970 17.60449 712.7387 17.60664 0.9583130      24.89803 
1 1 1 3   6  5  o 341.9280 5.284146 3429.704       105.9644 3425.111       160.7412 3433.235       140.9201 341.6134 8.023092 342.0536 7.024707 -0.4401550     10.66379 
1 1 1 3   6  6  o 507.1451 7.580728 7548.569       225.4725 7759.502       403.7063 7452.945       271.8173 513.5304 13.41594 503.8188 9.199247 9.711639       16.26694 
1 1 1 3   6  7  o 705.0421 8.681078 14595.40       358.9544 14076.30       482.5591 15238.43       537.0833 691.9968 11.89039 719.8688 12.72148 -27.87207      17.41314 
1 1 1 3   6  8  f 400.7055 5.468502 4711.240       128.5121 4836.074       186.7902 4599.041       177.0852 405.8489 7.847641 395.7916 7.628956 10.05731       10.94470 
1 1 1 3   6  9  o 479.8513 6.251750 6757.838       175.9377 6811.546       250.6888 6705.707       246.9795 481.5440 8.876638 477.7940 8.813932 3.749969       12.50920 
1 1 1 3   6  10 o 170.7975 4.109445 855.7494       41.16377 842.9269       58.41763 868.3950       58.01321 169.3774 5.889783 171.9274 5.761630 -2.549957      8.239291 
1 1 1 3   6  11 o 412.6424 5.592045 4996.271       135.3303 5057.464       193.8342 4938.076       189.0282 415.0253 7.963523 410.1043 7.859260 4.920990       11.18864 
1 1 1 3   6  12 o 320.5855 4.844478 3014.981       91.08385 3087.703       130.9563 2946.834       126.7697 324.3617 6.884088 316.8785 6.821379 7.483124       9.691330 
1 1 1 3   6  13 o 646.8603 8.058489 12281.02       305.7135 12704.38       451.4673 11922.49       415.4618 657.5854 11.70641 637.0879 11.11940 20.49750       16.14562 
1 1 1 3   6  14 o 418.3596 5.751211 5134.338       141.1105 5078.051       196.6573 5194.076       202.5962 415.9840 8.060886 420.7036 8.211159 -4.719574      11.50656 
1 1 1 3   6  15 o 376.2836 5.438546 4153.176       120.0186 4307.203       175.8401 4018.835       164.2190 383.1366 7.825532 370.0964 7.565858 13.04019       10.88490 
1 1 1 3   6  16 o 520.2476 6.800022 7940.261       207.4774 8085.312       299.1540 7805.827       287.9987 524.8558 9.718615 515.7141 9.522061 9.141724       13.60592 
1 1 1 3   6  17 o 352.5677 5.465477 3646.150       113.0111 3543.880       155.1913 3761.606       164.8932 347.5395 7.613998 358.0497 7.852518 -10.51025      10.93778 
1 1 1 3   6  18 o 573.9582 7.539868 9665.839       253.8017 9574.177       352.5963 9764.396       365.6173 571.0689 10.52783 576.6958 10.81009 -5.626892      15.08951 
1 1 1 3   6  19 o 595.4623 7.891164 10404.70       275.5789 10293.92       382.6278 10524.10       397.2374 592.0895 11.01891 598.6506 11.31426 -6.561157      15.79332 
1 1 1 3   6  20 o 400.1931 6.473574 4698.719       151.9372 4859.404       220.6947 4553.941       209.4866 406.8713 9.248778 393.8836 9.068548 12.98767       12.95293 
1 1 1 3   6  21 o 917.5283 11.16659 24727.34       600.8840 24558.54       841.2890 24903.13       858.5300 913.6542 15.70048 920.0012 15.91170 -6.346924      22.35368 
1 1 1 3   6  22 o 376.7906 6.014830 4165.431       132.9150 4180.976       188.2448 4149.977       187.6967 377.3890 8.505173 375.9870 8.512034 1.401947       12.03298 
1 1 1 3   6  23 o 506.7964 6.926327 7538.167       205.8671 7644.918       294.6652 7436.376       287.7386 510.1454 9.848825 503.1480 9.751060 6.997345       13.85938 
1 1 1 3   6  24 o 918.4407 11.15924 24800.98       601.0856 24506.78       835.2776 25116.98       865.6631 911.8250 15.61956 922.9925 15.99191 -11.16748      22.35423 
1 1 1 3   6  25 o 212.6897 5.847631 1328.646       72.87265 1267.605       102.4457 1391.167       103.6804 207.5594 8.433466 217.4801 8.143185 -9.920700      11.72326 
1 1 1 3   6  26 f 439.9509 6.248520 5682.294       161.2248 5531.804       220.7651 5854.286       236.0103 433.8569 8.676278 446.2846 9.017133 -12.42773      12.51345 
1 1 1 3   6  27 o 258.5721 5.413137 1962.523       82.08831 1989.200       118.7573 1938.114       113.5955 260.0693 7.794909 256.7283 7.552823 3.341003       10.85384 
1 1 1 3   6  28 o 246.6014 7.157163 1788.214       103.4016 1755.942       118.0815 1894.338       214.1301 244.2517 8.255021 252.7521 14.50643 -8.500412      16.69077 
1 1 1 3   6  29 o 526.0331 7.608695 8134.178       234.7328 8136.066       273.9179 8128.959       455.4321 525.8602 8.881771 523.8615 14.83865 1.998718       17.29368 
1 1 1 3   6  30 o 267.7914 6.117379 2106.528       96.07546 2097.360       107.7585 2142.066       212.1526 267.0581 6.885851 268.8105 13.50032 -1.752441      15.15498 
1 1 1 3   6  31 o 179.9277 7.129126 953.1509       75.08002 916.2687       81.60133 1156.628       191.6662 176.3237 7.911220 196.5790 16.78529 -20.25533      18.55622 
1 1 1 3   6  32 o 217.7116 7.961102 1396.022       101.4784 1412.609       115.3492 1339.230       213.4419 218.8694 9.005495 211.4847 17.36150 7.384628       19.55814 
1 1 1 3   6  33 o 326.4560 7.895401 3134.487       151.1643 3398.821       183.7407 2580.848       265.9147 339.6328 9.233119 294.5969 15.44483 45.03583       17.99426 
1 1 1 3   6  34 o 91.12256 14.71922 252.1375       75.98113 215.8777       80.02962 583.5654       241.9539 83.76392 16.87481 135.3519 31.12992 -51.58793      35.40948 
1 1 1 3   6  35 o 218.5851 7.324825 1406.741       93.76795 1388.018       101.3161 1518.532       247.5716 217.0430 7.972986 224.6160 18.97079 -7.572968      20.57813 
1 1 1 3   6  36 o 389.8693 6.918152 4470.264       158.1829 4390.660       175.7618 4809.565       362.8701 386.2365 7.759267 401.7794 15.42840 -15.54297      17.26967 
1 1 1 3   6  37 o 178.9389 8.655399 946.1056       90.56335 961.3412       95.91833 820.9733       274.8888 180.3056 9.100146 159.9234 30.41983 20.38217       31.75183 
1 1 1 3   6  38 o 34.45986 15.82126 -51.09284      72.85371 -50.33343      76.05386 -59.55133      253.8223 35.49116 16.24632 69.42911 30.90999 -33.93795      34.91948 
1 1 1 3   6  39 o 157.3203 9.886484 734.7321       90.75607 746.9565       96.17027 635.2426       274.3559 158.5260 10.40149 137.8508 34.12065 20.67523       35.67086 
1 1 1 3   6  40 o 90.16576 16.76790 252.4536       85.40611 285.5525       89.72036 -67.09285      278.7734 96.10517 16.51310 71.47881 32.06668 24.62636       36.06874 
1 1 1 3   6  41 o 120.9289 11.73338 440.1312       82.17079 445.2806       86.71887 394.8668       257.1080 121.4764 12.34348 107.5198 35.29527 13.95667       37.39141 
1 1 1 3   6  42 o 235.1881 7.620197 1638.255       104.9684 1661.996       113.2439 1493.397       279.7282 236.7130 8.169461 216.5747 22.34343 20.13834       23.79010 
1 1 1 3   6  43 o 64.56119 18.76869 133.1022       75.29377 115.5471       78.91573 311.2861       251.4173 60.94965 19.51930 95.33341 34.70732 -34.38377      39.81961 
1 1 1 3   6  44 f 58.92754 19.63449 106.4122       79.47545 139.7676       83.26849 -234.8904      266.3587 65.91173 19.88666 58.71307 27.97939 7.198658       34.32675 
1 1 1 3   6  45 o 141.3559 11.15280 605.6348       91.71028 574.1597       97.26615 857.7764       275.2961 137.1673 12.21872 153.1182 31.70119 -15.95090      33.97444 
1 1 1 3   6  46 o 87.49071 18.13449 249.8048       89.99139 274.3290       94.70602 21.72308       288.8182 91.73518 18.24556 71.99578 32.44003 19.73940       37.21902 
1 1 1 3   6  47 o 44.43208 20.62955 -77.85049      128.9929 -77.85049      128.9929 0.000000       0.000000 44.43208 20.62955 ?        ?        0.000000       20.62955 
1 1 1 3   6  48 o 68.74326 24.82960 155.6554       128.3381 181.3852       142.5889 45.89250       294.5067 72.92351 26.19338 71.84561 32.52842 1.077896       41.76351 
1 1 1 3   6  49 o 157.4295 11.82658 762.1132       108.3950 738.9222       154.0663 784.8446       152.5326 150.7662 17.76486 156.1023 16.93190 -5.336121      24.54138 
1 1 1 3   6  50 o 85.41467 20.99740 253.5497       104.4300 333.1861       153.8056 185.4362       142.2438 94.04266 26.66576 72.52251 26.14738 21.52015       37.34633 
1 1 1 3   6  51 o 105.7358 19.29501 377.5380       115.2439 407.8539       153.5339 338.4153       174.4148 105.2443 25.20704 92.51992 28.94288 12.72435       38.38079 
1 1 1 3   7  0  o 307.1714 5.997678 2768.086       108.0475 2652.374       180.4654 2832.741       134.8972 300.3769 10.25923 310.7011 7.403029 -10.32425      12.65135 
1 1 1 3   7  1  o 284.5103 5.689471 2374.629       94.93370 2311.634       160.8810 2408.283       117.5882 280.4270 9.797205 286.4890 6.998508 -6.062012      12.04011 
1 1 1 3   7  2  f 305.2195 5.071080 2732.693       90.77436 2682.257       170.5269 2752.636       107.2292 302.1042 9.636995 306.3114 5.968970 -4.207153      11.33580 
1 1 1 3   7  3  o 434.7698 7.395131 5547.066       188.5627 5634.905       305.5523 5493.037       239.6369 437.7775 11.91202 432.5455 9.446511 5.231995       15.20305 
1 1 1 3   7  4  o 115.9945 6.489062 396.0182       43.96783 439.0702       81.87286 378.5703       52.12140 121.6963 11.61190 113.2970 7.893545 8.399345       14.04080 
1 1 1 3   7  5  f 274.7388 6.756443 2215.007       108.8651 2155.612       148.0981 2284.830       160.5747 270.7808 9.339673 278.7499 9.837693 -7.969116      13.56502 
1 1 1 3   7  6  o 481.3039 7.361016 6799.478       207.7819 6549.228       342.9904 6944.559       261.1570 471.7864 12.40689 486.2842 9.157164 -14.49777      15.42027 
1 1 1 3   7  7  o 543.6572 6.948907 8675.588       221.5604 8464.257       303.2755 8917.480       324.4641 536.7511 9.634159 550.8889 10.04274 -14.13782      13.91667 
1 1 1 3   7  8  o 187.2350 4.039114 1028.371       44.35306 985.7079       62.03897 1072.974       63.43369 183.1847 5.781880 191.1355 5.665100 -7.950806      8.094659 
1 1 1 3   7  9  o 271.9044 4.413296 2168.917       70.37684 2154.705       98.80301 2183.555       100.2689 270.9536 6.217627 272.7596 6.268099 -1.805969      8.828814 
1 1 1 3   7  10 o 367.1784 5.199440 3955.714       111.9655 3856.507       153.8268 4067.492       163.2822 362.4471 7.236638 372.2154 7.479866 -9.768341      10.40756 
1 1 1 3   7  11 o 431.6771 5.816332 5467.771       147.2512 5492.686       209.1938 5443.304       207.3082 432.5227 8.246872 430.5764 8.209482 1.946259       11.63643 
1 1 1 3   7  12 o 652.2156 8.116487 12486.35       310.4629 12640.58       447.4297 12343.15       431.1447 655.8871 11.63175 648.1573 11.34207 7.729797       16.24623 
1 1 1 3   7  13 o 342.6148 6.869701 3444.180       138.0367 3365.352       192.8474 3527.000       197.6686 338.4331 9.726153 346.4715 9.737572 -8.038391      13.76293 
1 1 1 3   7  14 o 238.3030 5.060349 1665.699       70.72298 1771.469       95.48111 1537.133       105.2684 245.6395 6.633864 228.7437 7.858579 16.89577       10.28423 
1 1 1 3   7  15 o 496.4347 6.561654 7229.810       191.0407 7283.244       271.8124 7177.647       268.5617 498.1603 9.303569 494.5378 9.259641 3.622559       13.12621 
1 1 1 3   7  16 o 816.1124 9.950470 19549.70       476.2600 19420.16       667.2687 19684.22       679.9778 813.0203 13.99422 818.5098 14.16512 -5.489502      19.91203 
1 1 1 3   7  17 o 225.8394 5.340005 1496.050       70.72810 1498.400       102.5842 1493.920       97.64756 225.8475 7.756391 225.5277 7.392617 0.3198090      10.71505 
1 1 1 3   7  18 o 1479.430 17.58549 64394.54       1525.807 63194.42       2096.430 65746.30       2224.932 1463.330 24.42798 1492.188 25.42392 -28.85815      35.25765 
1 1 1 3   7  19 o 568.7114 7.638872 9490.636       254.7837 9584.334       362.8292 9399.487       357.8593 571.3187 10.82862 565.7856 10.78475 5.533142       15.28299 
1 1 1 3   7  20 f 660.5654 8.475993 12806.86       328.3651 12680.89       455.5808 12943.06       473.7060 657.0294 11.82307 663.7520 12.16893 -6.722595      16.96667 
1 1 1 3   7  21 o 538.7623 7.213008 8517.783       227.9104 8581.499       324.1372 8455.480       320.5213 540.5780 10.22398 536.5972 10.18493 3.980835       14.43130 
1 1 1 3   7  22 o 57.11351 16.42759 98.17689       57.96623 79.98177       95.10661 108.9306       73.11620 58.17287 21.32024 60.80951 18.69308 -2.636642      28.35461 
1 1 1 3   7  23 o 484.0523 6.664358 6876.602       189.1913 6864.954       266.4345 6888.448       268.6936 483.4395 9.397184 484.2605 9.460798 -0.8209839     13.33468 
1 1 1 3   7  24 o 325.7938 8.760013 3120.041       167.2260 3120.041       167.2260 0.000000       0.000000 325.7938 8.760013 ?        ?        0.000000       8.760013 
1 1 1 3   7  25 o 488.2098 7.090197 6998.489       203.0090 6923.257       232.0232 7244.130       419.2576 485.4764 8.149159 495.4733 14.44355 -9.996887      16.58388 
1 1 1 3   7  26 o 282.3117 5.962835 2339.650       98.72616 2298.488       109.2653 2522.673       230.4037 279.7797 6.659099 292.1878 13.48183 -12.40808      15.03674 
1 1 1 3   7  27 o 53.62587 16.00456 86.06384       54.15094 73.70753       57.12085 195.7046       170.1517 50.87349 16.63258 83.76807 28.72591 -32.89458      33.19369 
1 1 1 3   7  28 o 534.4294 7.631617 8394.443       239.1980 8351.564       276.2785 8522.798       477.9994 532.8552 8.840713 536.4777 15.20770 -3.622498      17.59069 
1 1 1 3   7  29 o 148.7506 7.856322 652.3948       68.29453 659.7506       73.17286 602.6816       190.2271 149.5337 8.377225 139.7600 24.07694 9.773727       25.49268 
1 1 1 3   7  30 o 176.4672 8.510024 918.3777       87.81390 925.3149       98.68440 891.9907       192.4640 177.0055 9.541565 171.8567 19.43628 5.148758       21.65203 
1 1 1 3   7  31 o 301.4869 6.356176 2670.617       112.3867 2680.530       126.0195 2632.093       248.4285 301.9708 7.115776 297.7948 14.26589 4.176056       15.94207 
1 1 1 3   7  32 o 278.9457 6.677970 2286.641       109.2483 2272.674       120.2466 2352.685       261.4805 277.9286 7.383695 281.0938 15.92641 -3.165192      17.55476 
1 1 1 3   7  33 o 203.4882 8.131942 1220.002       96.85198 1214.742       104.2556 1253.138       261.6812 202.9689 8.779051 203.1761 22.32841 -0.2072144     23.99229 
1 1 1 3   7  34 o 326.5473 6.833401 3134.241       130.8680 3142.390       145.5491 3099.850       299.0072 326.8817 7.592213 322.7251 15.84632 4.156616       17.57121 
1 1 1 3   7  35 o 270.0977 6.931782 2146.436       109.7128 2172.299       120.3321 2019.001       267.1069 271.6352 7.560795 259.5640 17.65150 12.07120       19.20264 
1 1 1 3   7  36 o 195.7921 7.923656 1130.411       90.79737 1116.956       96.61503 1232.155       265.6713 194.5413 8.488460 200.4715 23.01334 -5.930191      24.52892 
1 1 1 3   7  37 o 291.2167 7.225935 2496.327       123.4130 2544.365       135.0521 2253.120       303.8788 293.8028 7.844835 272.9752 19.10189 20.82758       20.65003 
1 1 1 3   7  38 o 51.30632 19.07954 62.46260       76.64631 65.25531       79.88922 30.14350       271.7725 52.37562 19.47864 77.70152 33.32145 -25.32590      38.59711 
1 1 1 3   7  39 o 165.2128 9.620843 809.7043       92.81631 809.0991       98.09349 814.8801       286.8466 165.0370 10.18425 157.2686 32.18503 7.768341       33.75789 
1 1 1 3   7  40 o 97.22625 15.36377 290.4453       84.69854 290.3413       88.72903 291.5125       284.2518 96.98354 16.16866 99.00470 36.75708 -2.021156      40.15605 
1 1 1 3   7  41 o 181.6411 8.716301 979.3752       92.58223 971.7495       98.78253 1034.464       265.5035 180.7663 9.349546 178.5875 26.12198 2.178757       27.74476 
1 1 1 3   7  42 o 89.40881 16.08917 250.6141       81.26357 261.7401       85.54272 147.6793       260.1920 91.24471 16.59665 81.72449 33.65693 9.520226       37.52649 
1 1 1 3   7  43 o 114.2801 12.57935 398.2622       82.91730 415.7261       87.53484 245.7099       258.7139 116.6304 13.01908 88.99332 34.58031 27.63710       36.94989 
1 1 1 3   7  44 o 128.9076 11.62348 504.1724       86.93208 525.0699       92.39539 342.9766       256.6133 131.3798 12.12826 97.38060 35.11843 33.99924       37.15372 
1 1 1 3   7  45 o 85.82713 18.61126 240.6479       90.97701 245.1226       95.80890 199.6117       290.1393 86.30306 19.40196 84.26201 35.19324 2.041054       40.18707 
1 1 1 3   7  46 o 163.9168 10.56583 812.9149       101.0318 803.4396       107.3754 886.0725       298.3580 162.5815 11.33210 151.1029 34.43706 11.47861       36.25366 
1 1 1 3   7  47 o 88.75291 19.56141 263.1030       99.07188 276.6577       104.5521 143.8786       310.0766 90.74268 20.16875 79.32645 34.78788 11.41623       40.21164 
1 1 1 3   7  48 o 38.46530 18.10082 -87.88059      104.9641 -116.3351      110.4820 175.8243       336.3375 37.76580 18.00344 81.23408 35.90375 -43.46827      40.16470 
1 1 1 3   7  49 o 48.30826 21.81919 -26.67228      131.5696 4.655555       139.9875 -263.9053      385.2225 52.30930 23.13931 65.84171 31.94395 -13.53241      39.44418 
1 1 1 3   7  50 o 90.51134 20.20865 281.0804       104.5564 124.9765       143.9621 455.3401       152.1037 64.76692 25.60713 113.0775 23.69527 -48.31055      34.88826 
1 1 1 3   7  51 o 63.77747 22.96074 135.3326       109.6376 177.3992       146.4285 81.65855       165.4014 71.08184 26.38328 61.69224 26.21140 9.389599       37.19025 
1 1 1 3   8  0  o 749.2606 12.90908 16502.31       567.2556 16776.21       819.8165 16250.74       785.7110 754.4800 18.52757 742.6666 18.03925 11.81342       25.85895 
1 1 1 3   8  1  o 378.6415 6.848444 4207.060       152.0795 4152.876       238.1161 4244.388       197.6407 375.8457 10.81385 380.2284 8.863011 -4.382690      13.98186 
1 1 1 3   8  2  o 204.1722 5.757396 1223.991       68.87147 1141.093       108.8198 1279.385       88.95385 196.9049 9.450850 208.6657 7.279959 -11.76079      11.92964 
1 1 1 3   8  3  o 329.8296 6.323470 3192.119       122.3195 3128.176       192.5310 3235.397       158.3944 326.1931 10.07619 331.9880 8.135176 -5.794830      12.95032 
1 1 1 3   8  4  o 274.7708 5.930063 2215.263       95.56094 2197.989       151.5585 2226.662       123.1183 273.4061 9.466234 275.3167 7.632362 -1.910553      12.15987 
1 1 1 3   8  5  f 553.0232 10.05012 8985.438       325.9604 8986.250       459.0862 8984.611       462.8928 552.3444 14.18382 552.2732 14.30348 0.7122803E-01  20.14374 
1 1 1 3   8  6  o 288.0234 6.921971 2435.090       116.9252 2573.854       168.7578 2306.974       162.1542 295.8105 9.740750 280.0236 9.889296 15.78693       13.88094 
1 1 1 3   8  7  o 203.4337 5.694704 1215.396       67.87614 1228.790       81.40730 1184.847       122.9440 204.4878 6.797503 200.4947 10.49223 3.993073       12.50172 
1 1 1 3   8  8  o 119.4327 4.775007 419.1618       33.37885 398.8408       35.46323 576.9436       98.81757 116.4730 5.204764 139.5072 12.20043 -23.03426      13.26424 
1 1 1 3   8  9  o 75.84558 5.728138 169.7663       25.29136 169.5858       26.33482 171.9102       90.74647 75.78381 5.973470 74.97782 20.19024 0.8059921      21.05536 
1 1 1 3   8  10 o 384.1678 5.723642 4330.436       128.9567 4291.863       148.6870 4447.531       259.0637 382.4126 6.629643 388.8073 11.37336 -6.394653      13.16455 
1 1 1 3   8  11 o 491.6746 6.795819 7094.035       195.9612 7140.066       230.7899 6975.108       370.9631 493.1990 7.978921 486.8908 13.00282 6.308167       15.25570 
1 1 1 3   8  12 o 731.3240 9.610572 15702.32       412.2015 15543.82       479.6192 16150.25       806.2697 727.4622 11.24179 740.2303 18.58688 -12.76819      21.72211 
1 1 1 3   8  13 o 769.0001 10.02076 17360.23       451.9367 17249.30       527.8906 17664.65       874.5239 766.3804 11.74489 774.5577 19.25162 -8.177368      22.55144 
1 1 1 3   8  14 o 871.2598 14.95348 22309.05       764.0831 22309.05       764.0831 0.000000       0.000000 871.2598 14.95348 ?        ?        0.000000       14.95348 
1 1 1 3   8  15 o 1385.853 17.65367 56488.80       1434.837 55397.47       1648.400 59900.95       2914.735 1371.685 20.49074 1420.860 34.97818 -49.17493      40.53817 
1 1 1 3   8  16 o 747.0205 9.836762 16379.63       430.9583 16251.12       501.5472 16742.22       842.4669 743.9534 11.49518 754.0049 19.06675 -10.05151      22.26387 
1 1 1 3   8  17 o 618.0296 8.440427 11208.89       305.9315 11258.88       359.6071 11077.92       582.0728 619.3195 9.900634 613.5844 16.18945 5.735107       18.97685 
1 1 1 3   8  18 o 648.3001 8.820534 12335.20       335.3679 12404.63       393.2750 12150.10       642.0880 650.0195 10.31619 642.4379 17.05679 7.581604       19.93384 
1 1 1 3   8  19 o 501.6402 7.502344 7384.093       220.7190 7410.714       253.6618 7301.104       447.8695 502.4902 8.607497 498.0457 15.35149 4.444550       17.59992 
1 1 1 3   8  20 o 795.8187 10.39536 18597.79       485.1816 18800.66       576.3252 18104.20       898.9751 799.9238 12.28481 783.7853 19.55690 16.13855       23.09521 
1 1 1 3   8  21 o 1022.573 13.00981 30739.01       780.2173 31129.77       933.2426 29831.79       1421.974 1028.522 15.47143 1004.324 24.14168 24.19855       28.67378 
1 1 1 3   8  22 o 427.7646 6.624957 5369.845       166.2029 5427.099       192.0969 5199.380       331.4634 429.9861 7.617551 420.2047 13.46745 9.781494       15.47253 
1 1 1 3   8  23 o 261.9668 7.270286 2016.100       111.5907 1974.967       128.1677 2144.977       226.8649 259.1949 8.442701 269.5117 14.40521 -10.31683      16.69699 
1 1 1 3   8  24 o 140.7788 7.695458 583.7023       63.29474 589.2866       68.24139 549.3186       169.3313 141.4057 8.264713 134.3634 22.26771 7.042252       23.75198 
1 1 1 3   8  25 o 264.2146 5.949306 2049.086       92.18783 2027.617       101.2862 2152.733       222.5512 262.7162 6.578925 269.8408 14.11184 -7.124664      15.57005 
1 1 1 3   8  26 f 307.0816 6.014851 2768.433       108.3251 2727.860       120.1133 2945.235       250.7336 304.7790 6.719787 315.6977 13.57396 -10.91873      15.14621 
1 1 1 3   8  27 o 207.6158 6.405363 1267.073       77.89954 1221.839       83.82277 1553.623       210.9756 203.8218 7.022796 228.6026 15.83407 -24.78075      17.32159 
1 1 1 3   8  28 o 565.4538 7.910616 9399.712       262.3361 9326.349       302.5099 9622.207       526.8185 562.9999 9.161798 569.7524 15.78130 -6.752563      18.24796 
1 1 1 3   8  29 o 696.1695 12.51484 14312.47       510.9645 14089.40       699.8283 14567.16       747.7785 688.2864 17.35075 699.3472 18.24739 -11.06079      25.17967 
1 1 1 3   8  30 o 522.5167 7.570063 8028.088       231.9798 7933.957       266.2737 8324.551       472.5470 519.2067 8.744550 529.6602 15.22819 -10.45355      17.56032 
1 1 1 3   8  31 o 71.08337 15.71459 155.7189       63.76857 139.4895       67.43145 293.0472       196.1510 67.21191 17.07545 97.83841 30.70603 -30.62650      35.13447 
1 1 1 3   8  32 o 266.2249 6.796285 2084.325       106.0268 2111.895       116.5772 1952.361       255.0517 267.9066 7.426749 255.6835 17.10728 12.22311       18.64982 
1 1 1 3   8  33 o 480.8666 7.690024 6800.016       216.8717 6757.344       246.7242 6945.038       454.8352 479.1480 8.779940 483.3970 16.06584 -4.248993      18.30843 
1 1 1 3   8  34 o 34.87127 16.75998 -145.8802      100.1057 -128.1213      111.2182 -221.6637      229.7498 38.86271 18.39183 57.34872 26.92171 -18.48600      32.60426 
1 1 1 3   8  35 o 119.5642 11.59571 426.3259       80.29124 450.3967       84.68785 212.3911       252.4736 122.8702 11.90118 91.96950 34.54166 30.90067       36.53443 
1 1 1 3   8  36 o 149.7847 12.71150 669.5520       110.6108 604.2206       120.9174 1004.515       273.7953 141.7932 14.75623 179.1497 26.88828 -37.35643      30.67125 
1 1 1 3   8  37 o 237.3102 7.531315 1660.057       104.6857 1601.992       110.6567 2154.950       323.0549 233.0214 8.109499 266.0496 20.87140 -33.02823      22.39150 
1 1 1 3   8  38 o 55.62458 19.55190 83.65554       79.05811 93.39618       82.36284 -30.47029      281.9224 57.92110 19.98113 74.89210 32.99556 -16.97100      38.57399 
1 1 1 3   8  39 o 172.7515 9.553336 885.1777       96.41245 870.9176       101.6120 1013.916       305.3068 171.2216 10.16470 176.4932 30.60444 -5.271622      32.24830 
1 1 1 3   8  40 o 71.14169 23.78237 151.9483       116.5852 190.3186       129.1126 -17.49287      271.3194 78.13463 24.96119 73.22923 32.31169 4.905396       40.83021 
1 1 1 3   8  41 o 31.09688 14.88998 -103.0125      77.37093 -77.96915      80.92010 -369.8598      264.1448 34.08290 15.99268 54.60651 26.48335 -20.52361      30.93758 
1 1 1 3   8  42 o 187.6600 8.722266 1047.800       95.73306 1124.800       102.6964 537.0715       264.4869 194.3458 9.034826 121.1551 35.16390 73.19076       36.30603 
1 1 1 3   8  43 o 141.8920 10.53185 605.6494       87.01733 630.1691       91.51686 374.5289       280.9716 144.6335 10.86851 101.6176 36.73392 43.01599       38.30803 
1 1 1 3   8  44 o 186.2495 8.986338 1036.439       97.86895 1140.092       104.3173 274.9384       282.7487 195.3016 9.132812 91.21790 35.94227 104.0837       37.08443 
1 1 1 3   8  45 o 85.72837 18.08384 239.2500       88.05643 266.8784       91.96629 -65.11214      305.2431 90.73491 17.91843 69.42313 32.05781 21.31178       36.72565 
1 1 1 3   8  46 o 29.66611 14.60373 -174.2162      89.59290 -148.0026      93.62258 -459.2132      308.7006 32.10875 15.61700 54.90268 27.04261 -22.79393      31.22809 
1 1 1 3   8  47 o 107.5975 16.68780 372.2950       101.8971 377.0319       107.0505 326.6176       332.4209 107.8204 17.53090 91.82786 37.95246 15.99250       41.80576 
1 1 1 3   8  48 o 41.52562 18.87913 -37.24035      100.4691 0.2132167      105.6495 -391.3045      324.8341 46.20969 20.28423 57.32058 28.13523 -11.11089      34.68488 
1 1 1 3   8  49 o 122.6485 15.99951 483.1261       112.3443 500.1809       117.6671 307.3113       377.7982 124.4711 16.52694 88.45556 38.60417 36.01557       41.99312 
1 1 1 3   8  50 f 97.42368 20.20273 324.6720       111.6409 236.4022       153.4732 423.8725       162.6985 79.52070 27.28133 106.7450 26.18922 -27.22433      37.81728 
1 1 1 3   9  0  o 1133.467 27.30849 38174.05       1815.335 0.000000       0.000000 38174.05       1815.335 ?        ?        1133.467 27.30849 0.000000       27.30849 
1 1 1 3   9  1  o 388.8446 6.212864 4436.854       141.6832 4270.554       168.0459 4845.700       263.4877 381.4264 7.512193 405.9074 11.07871 -24.48102      13.38547 
1 1 1 3   9  2  o 270.6055 4.501157 2148.118       71.43504 2088.485       96.89306 2219.130       105.7337 266.7779 6.192874 274.9836 6.556259 -8.205658      9.018660 
1 1 1 3   9  3  o 134.4565 6.154467 531.6381       48.40268 485.9533       86.85946 552.2142       58.29240 128.0301 11.69697 136.9634 7.283179 -8.933319      13.77911 
1 1 1 3   9  4  o 316.7698 6.293466 2944.905       116.9188 2972.587       188.7303 2927.665       148.9420 317.8830 10.13630 315.6550 8.052091 2.227997       12.94530 
1 1 1 3   9  5  o 242.4882 5.831526 1725.537       82.93224 1766.080       136.2483 1701.675       104.5260 244.9870 9.500831 240.6368 7.415329 4.350128       12.05209 
1 1 1 3   9  6  o 431.2665 8.428881 5462.797       213.1897 5558.462       303.0469 5369.067       299.9681 434.5157 11.90319 427.0309 11.98934 7.484772       16.89468 
1 1 1 3   9  7  o 283.8435 6.920340 2365.050       115.2012 2403.114       159.5997 2323.646       166.4545 285.8242 9.534348 280.9975 10.11700 4.826660       13.90171 
1 1 1 3   9  8  o 369.5537 5.749756 4007.546       124.6171 3940.172       143.5323 4213.829       251.1496 366.3894 6.679690 378.3973 11.32983 -12.00784      13.15231 
1 1 1 3   9  9  o 741.2068 9.648760 16138.36       419.4319 16143.19       494.4123 16125.98       792.2108 741.0649 11.37581 739.2525 18.27248 1.812439       21.52423 
1 1 1 3   9  10 o 169.9483 4.636017 847.8635       46.16433 847.7615       49.76120 848.4935       123.6709 169.9231 4.998738 169.4319 12.53453 0.4911652      13.49451 
1 1 1 3   9  11 o 781.3561 10.08425 17927.06       462.1076 17835.94       539.7283 18177.31       894.3992 779.1709 11.81114 785.3470 19.41866 -6.176086      22.72856 
1 1 1 3   9  12 o 466.2355 6.552386 6377.398       179.1659 6557.836       214.3299 5958.799       326.4515 472.7398 7.730544 450.2228 12.37522 22.51703       14.59134 
1 1 1 3   9  13 o 269.6648 7.608914 2135.352       120.2162 2157.735       161.5097 2107.547       180.0145 270.9284 10.18280 267.6632 11.49428 3.265198       15.35604 
1 1 1 3   9  14 o 975.2922 16.67991 27968.12       954.0674 26853.05       1269.470 29415.40       1446.261 954.5609 22.67609 998.6043 24.69464 -44.04340      33.52657 
1 1 1 3   9  15 o 718.9550 12.59723 15181.06       531.1624 15181.06       531.1624 0.000000       0.000000 718.9550 12.59723 ?        ?        0.000000       12.59723 
1 1 1 3   9  16 o 517.9444 7.427340 7871.052       225.6145 7747.132       257.8254 8276.123       466.1436 513.8034 8.556147 530.4321 14.99946 -16.62866      17.26822 
1 1 1 3   9  17 o 532.0829 7.687116 8307.236       239.8796 8229.890       273.8450 8562.308       497.2956 529.5467 8.817593 539.4131 15.73646 -9.866394      18.03846 
1 1 1 3   9  18 f 565.3688 8.881143 9381.653       294.4769 9210.768       344.7141 9843.134       566.4772 560.0953 10.49413 578.1990 16.72288 -18.10376      19.74289 
1 1 1 3   9  19 o 544.8994 7.781559 8713.297       248.6758 8722.897       288.6363 8685.646       489.8416 545.1281 9.028214 543.2190 15.39105 1.909058       17.84357 
1 1 1 3   9  20 o 737.1070 9.721197 15953.06       420.2433 16055.33       495.8990 15692.47       791.5745 739.2822 11.43754 729.5916 18.51452 9.690613       21.76246 
1 1 1 3   9  21 o 159.5194 7.326795 748.3964       68.36231 783.3575       73.04832 501.8294       193.9923 163.1892 7.653851 127.7630 26.74906 35.42619       27.82254 
1 1 1 3   9  22 o 120.6032 8.777062 429.3849       61.65603 457.9354       65.94513 231.0752       173.7993 124.5398 9.091301 89.42185 28.99707 35.11791       30.38884 
1 1 1 3   9  23 o 140.1275 7.847905 578.3647       64.23754 558.4490       68.12746 737.9745       192.8655 137.6334 8.481297 156.4188 21.59992 -18.78539      23.20536 
1 1 1 3   9  24 o 682.4369 9.060265 13685.06       362.6218 13731.75       425.6169 13561.40       692.6124 683.3354 10.62024 677.2274 17.45289 6.108032       20.43019 
1 1 1 3   9  25 o 361.5877 6.118960 3838.199       129.7603 3874.305       148.5753 3722.112       266.4109 363.2245 6.974627 355.1877 12.81019 8.036804       14.58583 
1 1 1 3   9  26 o 238.7806 6.199391 1675.241       86.74234 1671.438       94.34444 1696.028       220.5653 238.4653 6.752710 238.9692 15.82700 -0.5038452     17.20736 
1 1 1 3   9  27 o 300.5790 6.049932 2653.027       106.6497 2671.447       118.7540 2576.235       242.4698 301.5721 6.714389 294.9702 14.05661 6.601959       15.57791 
1 1 1 3   9  28 o 269.5901 6.046621 2134.518       95.60207 2149.917       106.1687 2068.507       219.8192 270.5139 6.692010 264.0887 14.24544 6.425232       15.73898 
1 1 1 3   9  29 o 333.8883 6.161189 3274.811       120.6469 3329.249       137.0695 3087.593       254.1940 336.5722 6.944039 322.8646 13.45387 13.70761       15.14022 
1 1 1 3   9  30 f 312.9449 6.148474 2877.088       112.8459 2851.911       125.3303 2984.916       259.3640 311.5027 6.860308 317.2478 13.97422 -5.745117      15.56735 
1 1 1 3   9  31 o 31.67894 14.57423 -46.73384      62.25972 -41.37916      65.63655 -94.79363      196.6390 33.36726 15.20473 58.95943 26.64799 -25.59216      30.68060 
1 1 1 3   9  32 f 429.6284 7.062714 5425.599       177.9570 5501.309       203.2827 5177.271       368.1595 432.4666 8.014885 417.6508 15.05509 14.81580       17.05562 
1 1 1 3   9  33 o 233.4788 7.878220 1605.195       107.7218 1677.739       117.0870 1205.368       274.8823 238.6378 8.379025 198.6083 24.09129 40.02954       25.50683 
1 1 1 3   9  34 o 99.03328 14.33653 296.5423       80.84811 335.1635       85.06870 -63.95591      259.9012 105.4483 14.10935 70.92807 31.44441 34.52027       34.46483 
1 1 1 3   9  35 o 49.07155 19.74969 34.78549       87.16332 79.22894       92.38203 -325.5751      263.0585 57.06619 20.99626 57.87719 27.64307 -0.8110008     34.71285 
1 1 1 3   9  36 o 332.7255 7.133589 3257.769       139.2017 3289.591       153.3409 3108.695       331.8921 334.2277 7.822849 321.6879 17.65960 12.53976       19.31472 
1 1 1 3   9  37 o 401.9460 7.181657 4756.389       169.2945 4658.880       185.7905 5233.499       410.9707 397.6232 7.967118 417.6228 16.81376 -19.99957      18.60585 
1 1 1 3   9  38 o 135.0932 11.13518 544.2803       87.44025 574.4957       91.60770 234.6731       293.2400 138.7710 11.35517 95.79837 36.92603 42.97261       38.63252 
1 1 1 3   9  39 o 126.7511 12.56146 482.7685       92.15051 460.6925       96.47418 712.6285       311.3026 123.5499 13.53559 144.1060 36.73072 -20.55614      39.14534 
1 1 1 3   9  40 o 65.97838 20.20833 134.8890       85.54756 144.3734       89.56787 36.29649       288.7805 68.06377 20.64425 78.40989 33.99008 -10.34612      39.76821 
1 1 1 3   9  41 o 97.21388 15.40321 292.8723       84.89523 291.9595       88.56660 303.2024       297.9458 96.80685 16.16951 98.10544 37.36966 -1.298592      40.71786 
1 1 1 3   9  42 o 61.22182 19.90720 115.5453       81.88293 137.0517       85.47172 -124.5425      285.5769 65.74194 20.21116 66.79822 30.90293 -1.056282      36.92536 
1 1 1 3   9  43 o 47.08635 18.97919 38.42593       80.62626 32.63236       83.67332 113.6544       301.5120 46.84090 19.16582 81.10641 34.94346 -34.26551      39.85441 
1 1 1 3   9  44 o 41.01335 17.99450 -9.681708      83.05254 -7.162055      86.00591 -44.49072      319.6714 42.01340 18.37560 72.67403 33.28233 -30.66064      38.01810 
1 1 1 3   9  45 o 130.7164 12.53191 524.0822       94.89690 515.1981       99.43988 614.7014       317.5886 129.2366 13.30983 120.3570 39.21032 8.879578       41.40774 
1 1 1 3   9  46 o 59.86061 21.72040 107.1669       98.35384 125.4044       102.7613 -91.86037      339.4718 63.23372 22.28568 70.29263 32.91043 -7.058907      39.74604 
1 1 1 3   9  47 o 83.33568 21.60718 238.8477       106.4746 250.6370       112.5975 139.2060       327.3445 85.03900 22.30464 79.46577 35.25610 5.573227       41.71917 
1 1 1 3   9  48 o 93.93295 20.07446 298.7254       107.2340 265.5867       112.7831 610.8426       346.1270 87.32803 22.02719 111.9716 40.72932 -24.64357      46.30415 
1 1 1 3   9  49 o 88.50685 22.11047 275.1941       114.4283 306.0321       120.3263 -16.43595      370.0276 93.33131 22.29026 72.66590 34.12914 20.66541       40.76339 
1 1 1 3   9  50 o 77.21285 24.15211 215.5465       121.4564 212.4525       125.6949 259.1176       471.6873 76.55054 24.64592 86.47558 39.90319 -9.925034      46.90081 
1 1 1 3   10 0  o 398.3878 7.568128 4659.826       176.8255 4592.258       245.0186 4733.267       255.4454 395.1151 10.58318 401.1056 10.86899 -5.990479      15.17032 
1 1 1 3   10 1  o 221.8824 4.730101 1444.365       61.55222 1462.867       77.67372 1413.134       100.9148 223.1890 5.939324 219.2364 7.861319 3.952560       9.852711 
1 1 1 3   10 2  o 189.3623 4.290935 1051.921       47.65361 1055.927       64.74817 1047.186       70.38950 189.6007 5.829796 188.7828 6.366735 0.8178864      8.632603 
1 1 1 3   10 3  o 248.5298 4.440768 1812.046       64.72724 1840.599       89.00492 1779.995       94.30077 250.4325 6.060002 246.1720 6.537484 4.260529       8.914164 
1 1 1 3   10 4  o 452.7694 8.684968 6021.778       230.6194 6092.045       328.2991 5953.327       324.0328 454.8415 12.31854 449.6323 12.29955 5.209167       17.40762 
1 1 1 3   10 5  o 328.6219 6.377907 3169.630       122.9208 3121.089       192.5484 3203.020       159.6967 325.7181 10.09187 330.2475 8.245287 -4.529388      13.03191 
1 1 1 3   10 6  o 168.9222 7.776919 839.6149       76.83835 823.7266       101.3564 861.0858       117.8254 167.0859 10.39482 170.6948 11.84322 -3.608841      15.75798 
1 1 1 3   10 7  o 552.9179 10.06880 8983.081       326.5041 9279.911       477.8678 8723.180       447.1540 561.1760 14.53194 544.1629 14.02296 17.01312       20.19457 
1 1 1 3   10 8  o 418.7057 8.289612 5147.297       203.5605 5109.854       282.3518 5187.822       293.7420 416.7756 11.56266 419.9015 11.94014 -3.125916      16.62113 
1 1 1 3   10 9  o 243.7197 4.778920 1742.433       68.30791 1738.970       76.98634 1755.247       148.0949 243.4657 5.391696 244.2354 10.36260 -0.7697754     11.68135 
1 1 1 3   10 10 o 671.1245 8.930159 13221.63       351.4898 13077.03       408.4097 13634.65       690.2377 667.3157 10.43552 680.3193 17.31364 -13.00354      20.21539 
1 1 1 3   10 11 o 476.1132 6.687456 6650.637       186.7333 6649.816       217.0459 6652.974       366.3443 476.0411 7.774217 475.6681 13.14472 0.3729553      15.27162 
1 1 1 3   10 12 o 177.7316 8.721526 929.2449       90.63154 911.7410       117.3565 955.1115       142.6621 175.8413 11.44197 179.7906 13.63137 -3.949295      17.79699 
1 1 1 3   10 13 o 1216.789 20.56927 43595.35       1467.861 43602.86       2075.256 43587.84       2076.481 1214.384 29.13837 1214.167 29.16077 0.2167969      41.22373 
1 1 1 3   10 14 o 864.1633 11.23292 21925.48       569.2969 21363.55       646.6105 23862.79       1200.614 852.8468 12.92770 899.5229 22.77666 -46.67615      26.18973 
1 1 1 3   10 15 o 798.5815 15.74442 18747.85       737.3885 18747.85       737.3885 0.000000       0.000000 798.5815 15.74442 ?        ?        0.000000       15.74442 
1 1 1 3   10 16 o 105.1622 9.910720 327.5066       60.40376 327.5066       60.40376 0.000000       0.000000 105.1622 9.910720 ?        ?        0.000000       9.910720 
1 1 1 3   10 17 o 760.5958 10.10521 16983.50       450.7645 16841.01       521.7183 17403.10       895.2756 757.2455 11.74759 768.4150 19.88270 -11.16956      23.09389 
1 1 1 3   10 18 o 419.6308 6.873783 5166.593       169.1662 5193.975       192.2584 5072.704       356.0067 420.7070 7.792109 415.1234 14.64574 5.583557       16.58960 
1 1 1 3   10 19 o 290.6958 6.121473 2479.209       104.3627 2483.917       114.3861 2455.824       254.9402 290.9574 6.703372 288.5659 15.11680 2.391510       16.53641 
1 1 1 3   10 20 o 562.1168 7.928093 9274.260       261.3640 9179.201       300.4785 9569.740       529.7646 559.1409 9.163083 569.9845 15.86324 -10.84357      18.31951 
1 1 1 3   10 21 o 272.5192 6.197828 2179.243       99.05746 2301.566       110.0022 1654.670       227.7982 280.0475 6.697601 236.4129 16.53389 43.63461       17.83892 
1 1 1 3   10 22 o 286.1752 6.076910 2403.304       101.9918 2390.837       111.6142 2466.397       251.0945 285.4103 6.668056 288.9939 14.86483 -3.583557      16.29190 
1 1 1 3   10 23 o 630.4523 8.508892 11675.05       314.6124 11744.92       369.2539 11489.98       600.9714 632.1385 9.960069 623.7858 16.44170 8.352783       19.22322 
1 1 1 3   10 24 o 600.0077 8.225996 10576.33       289.4648 10597.37       338.7570 10519.42       557.2355 600.4007 9.620476 596.6710 15.93831 3.729675       18.61675 
1 1 1 3   10 25 o 661.9308 8.872325 12880.26       344.4297 12924.35       404.8309 12764.67       655.4427 662.7521 10.41531 656.5545 17.03650 6.197571       19.96800 
1 1 1 3   10 26 o 250.5664 9.538276 1849.698       139.9102 1863.671       178.3755 1827.358       225.5493 251.1492 12.14626 248.0804 15.58107 3.068787       19.75605 
1 1 1 3   10 27 o 319.9431 6.117195 3006.156       114.7825 3055.222       128.6726 2814.992       253.9798 322.4869 6.803362 308.3068 14.08361 14.18008       15.64078 
1 1 1 3   10 28 o 537.2379 7.709840 8485.871       242.9196 8287.588       274.8326 9194.010       519.3804 530.7069 8.830048 556.6007 15.92715 -25.89380      18.21109 
1 1 1 3   10 29 o 396.1028 6.530478 4610.096       151.7062 4600.296       172.3357 4643.834       319.7671 395.5648 7.428605 395.9421 13.79162 -0.3773804     15.66502 
1 1 1 3   10 30 o 46.17098 16.76879 52.28993       58.64023 49.47719       61.45916 80.85899       195.8709 46.15401 17.09976 73.11116 29.54165 -26.95715      34.13372 
1 1 1 3   10 31 o 138.8919 9.317687 570.5911       75.45981 633.8631       80.59299 120.8263       214.8741 146.4073 9.436326 79.48943 31.32905 66.91789       32.71932 
1 1 1 3   10 32 o 104.8891 13.46978 330.6124       80.94902 365.8813       85.72452 40.25755       245.9654 110.4166 13.51966 76.48798 32.20413 33.92863       34.92689 
1 1 1 3   10 33 o 244.4236 7.718536 1758.854       110.5055 1823.748       119.9427 1394.474       284.2162 248.8294 8.230376 214.1237 22.99230 34.70575       24.42099 
1 1 1 3   10 34 o 275.7565 7.122997 2237.604       115.1000 2260.832       124.5606 2101.884       301.0909 277.1082 7.671831 264.2516 19.56689 12.85663       21.01714 
1 1 1 3   10 35 o 225.2770 7.932310 1495.840       104.6379 1546.180       113.1914 1200.016       274.3922 228.9635 8.443861 197.4159 24.20540 31.54765       25.63592 
1 1 1 3   10 36 o 301.7999 7.233109 2680.956       128.0250 2589.777       137.8711 3251.786       344.9678 296.4052 7.938312 328.7579 17.95993 -32.35263      19.63608 
1 1 1 3   10 37 o 330.1957 7.081073 3209.857       137.1264 3116.160       148.8496 3735.383       352.5177 325.2025 7.804465 352.4600 17.10485 -27.25751      18.80121 
1 1 1 3   10 38 o 42.98716 18.46831 -2.271336      83.77157 59.72868       87.49749 -684.0957      290.1589 52.71543 20.20887 50.08110 24.93603 2.634331       32.09679 
1 1 1 3   10 39 o 56.73082 20.68704 82.89600       89.37185 55.10142       93.26852 394.8356       312.4570 52.88054 20.70096 110.2598 38.86021 -57.37927      44.03006 
1 1 1 3   10 40 o 189.8610 8.876859 1069.722       98.56929 1035.640       104.0287 1369.096       308.3209 186.6349 9.535685 206.2776 26.06693 -19.64276      27.75633 
1 1 1 3   10 41 o 121.4171 12.66823 447.3349       88.88277 467.1843       93.22816 249.1739       294.5659 123.9953 13.01380 92.75857 36.64336 31.23675       38.88566 
1 1 1 3   10 42 o 200.7661 8.858861 1200.524       104.0514 1178.017       109.8988 1395.305       323.2988 198.6564 9.459966 203.6099 27.79939 -4.953506      29.36490 
1 1 1 3   10 43 o 29.92427 14.59719 -143.9785      83.47598 -130.5566      86.60678 -319.6170      313.2964 31.59085 15.28366 61.26677 29.49826 -29.67591      33.22255 
1 1 1 3   10 44 o 153.4917 10.79066 711.7621       96.51775 684.9297       100.4241 1036.669       349.4527 150.2664 11.48226 162.6915 37.40712 -12.42508      39.12971 
1 1 1 3   10 45 o 175.8153 10.65524 934.6535       109.3521 992.0032       115.0226 395.6574       352.6229 181.0290 10.88416 99.56293 39.84283 81.46606       41.30273 
1 1 1 3   10 46 o 133.6483 13.65868 554.4312       105.5551 531.2793       110.5039 795.6824       356.7138 130.2293 14.72641 132.3660 41.38896 -2.136673      43.93077 
1 1 1 3   10 47 o 99.43354 18.91921 327.5515       106.2983 376.3007       111.5050 -158.1839      351.9737 107.0394 18.42700 67.59929 32.19982 39.44013       37.09963 
1 1 1 3   10 48 f 73.58602 22.47009 188.5392       105.8722 178.1979       111.0574 291.5899       350.5787 71.66074 23.17481 87.83002 37.75802 -16.16928      44.30282 
1 1 1 3   10 49 o 55.64276 22.57811 72.58603       114.9620 87.28502       120.3983 -79.24644      386.9535 58.11806 23.27315 71.13071 33.84805 -13.01265      41.07712 
1 1 1 3   10 50 o 121.0084 19.11629 490.1978       131.1654 472.6722       137.6361 663.5494       432.8720 117.5612 20.71941 106.9116 43.65068 10.64958       48.31849 
1 1 1 3   11 0  o 463.3474 8.529840 6305.888       231.7918 6411.218       333.2580 6207.183       322.6077 466.6458 12.18750 459.1850 11.98970 7.460815       17.09643 
1 1 1 3   11 1  o 451.3571 8.337263 5983.272       220.6959 5847.545       302.5488 6137.625       322.6416 445.7363 11.58337 456.5959 12.05919 -10.85962      16.72120 
1 1 1 3   11 2  o 189.0190 4.374622 1048.133       48.49496 999.5464       64.24979 1112.462       73.92873 184.4571 5.946944 194.5756 6.487569 -10.11855      8.800835 
1 1 1 3   11 3  o 189.5504 4.657354 1054.088       51.77433 1068.284       65.01923 1029.488       85.58990 190.7085 5.820093 187.0820 7.818045 3.626404       9.746553 
1 1 1 3   11 4  o 350.6083 6.050068 3607.490       124.4036 3660.684       150.4922 3492.698       221.0739 353.1227 7.266713 344.5051 10.95579 8.617554       13.14666 
1 1 1 3   11 5  o 315.9994 5.718011 2930.069       105.9697 2976.531       127.3967 2825.724       190.9151 318.4508 6.821270 309.9024 10.51949 8.548431       12.53752 
1 1 1 3   11 6  o 386.3690 7.004289 4381.496       158.7146 4370.541       250.1235 4388.880       205.3532 385.4635 11.07570 386.5757 9.057670 -1.112213      14.30778 
1 1 1 3   11 7  o 278.8604 7.137699 2283.730       116.6376 2292.528       161.3355 2274.097       168.8198 279.2074 9.868152 278.0399 10.37116 1.167542       14.31578 
1 1 1 3   11 8  o 365.9191 7.798590 3929.848       167.3600 3843.776       227.0211 4032.310       247.6934 361.5895 10.71715 370.2961 11.41916 -8.706635      15.66060 
1 1 1 3   11 9  o 524.4370 9.742703 8074.762       299.6563 7965.586       412.8044 8196.370       435.6758 520.4139 13.53673 527.8391 14.08639 -7.425171      19.53636 
1 1 1 3   11 10 o 439.3994 6.475334 5664.265       166.8677 5647.581       193.7788 5712.129       328.2252 438.7155 7.531348 440.7747 12.71038 -2.059174      14.77413 
1 1 1 3   11 11 o 355.3206 7.113740 3704.127       148.2412 3593.213       178.9925 3946.343       264.5106 349.9149 8.722116 366.3581 12.32838 -16.44312      15.10179 
1 1 1 3   11 12 o 637.0549 8.569918 11909.29       320.1872 11617.53       363.8970 12909.62       673.8115 629.1298 9.862514 662.3083 17.36210 -33.17853      19.96777 
1 1 1 3   11 13 o 340.1202 7.855001 3394.281       156.6856 3394.281       156.6856 0.000000       0.000000 340.1202 7.855001 ?        ?        0.000000       7.855001 
1 1 1 3   11 14 o 528.9338 9.036270 8210.727       280.3116 7899.504       338.1261 8894.672       501.2487 518.7027 11.11500 549.8591 15.55923 -31.15643      19.12153 
1 1 1 3   11 15 o 673.1920 9.883254 13302.91       390.2019 13198.81       467.8289 13540.86       707.3243 670.3976 11.89883 678.1707 17.79937 -7.773071      21.41027 
1 1 1 3   11 16 o 1079.401 13.86423 34238.23       877.6655 33699.57       1010.500 35892.56       1770.881 1070.480 16.09560 1101.767 27.40621 -31.28723      31.78316 
1 1 1 3   11 17 o 618.7606 8.659203 11237.06       314.2325 10997.33       356.2427 12077.45       667.0032 612.0393 9.924673 640.3211 17.77871 -28.28180      20.36127 
1 1 1 3   11 18 o 698.6856 9.334829 14330.84       382.5064 14431.67       450.4797 14070.28       724.1456 700.9907 10.95752 691.0423 17.88281 9.948425       20.97289 
1 1 1 3   11 19 o 651.7449 8.805354 12469.59       336.5697 12509.32       394.3951 12363.12       645.6526 652.6503 10.30387 647.7667 17.01006 4.883606       19.88748 
1 1 1 3   11 20 o 416.2110 6.609235 5083.457       161.3300 5225.382       186.5321 4662.104       321.4011 421.9355 7.538014 397.8734 13.79461 24.06216       15.71982 
1 1 1 3   11 21 f 554.5143 11.37498 9038.931       369.9253 9038.931       369.9253 0.000000       0.000000 554.5143 11.37498 ?        ?        0.000000       11.37498 
1 1 1 3   11 22 o 229.8817 6.949046 1552.691       93.57960 1554.016       104.3724 1547.260       211.3096 229.9246 7.751239 228.5337 15.86436 1.390900       17.65672 
1 1 1 3   11 23 o 498.7381 7.214251 7303.651       211.0155 7220.421       241.6882 7570.548       432.7995 495.7809 8.312183 506.5304 14.58422 -10.74951      16.78665 
1 1 1 3   11 24 o 247.9532 6.035970 1804.788       87.77431 1841.182       96.42107 1628.739       212.0670 250.3299 6.573318 234.3438 15.51751 15.98613       16.85234 
1 1 1 3   11 25 o 326.7970 6.036909 3135.538       115.7026 3192.608       130.0262 2918.474       253.5833 329.7088 6.724341 314.1698 13.79641 15.53897       15.34789 
1 1 1 3   11 26 o 368.8635 6.180997 3995.555       133.7133 4017.551       152.0855 3920.656       280.6416 369.8011 7.012441 364.2326 13.15943 5.568420       14.91124 
1 1 1 3   11 27 o 363.5346 6.342710 3881.869       135.2294 3883.372       151.9019 3876.128       296.8886 363.5251 7.124892 361.8247 14.01739 1.700470       15.72423 
1 1 1 3   11 28 o 409.1013 6.572892 4917.489       157.7022 4901.464       177.9210 4976.222       340.6132 408.3218 7.429749 409.8143 14.19318 -1.492493      16.02023 
1 1 1 3   11 29 o 279.3260 6.270239 2292.300       102.7179 2268.865       112.4518 2410.356       252.3931 277.8386 6.901180 284.7257 15.16948 -6.887085      16.66551 
1 1 1 3   11 30 f 106.4513 11.27369 338.0282       69.31456 364.1855       73.38327 121.5733       211.0981 110.5019 11.49102 79.09118 31.08898 31.41077       33.14466 
1 1 1 3   11 31 o 120.1435 11.55674 429.8557       80.42699 427.1433       85.48992 450.7429       237.2305 119.6280 12.36309 118.9867 32.89537 0.6412964      35.14188 
1 1 1 3   11 32 o 355.2264 7.169653 3709.499       149.3667 3657.521       165.2551 3941.483       349.1196 352.6224 7.990880 363.8955 16.40078 -11.27313      18.24390 
1 1 1 3   11 33 o 334.0715 7.024244 3281.018       137.6225 3275.459       151.5402 3307.182       328.7476 333.6967 7.743288 332.9675 16.89006 0.7292480      18.58043 
1 1 1 3   11 34 o 303.6880 7.023924 2712.169       125.1002 2797.339       136.9724 2283.768       307.1954 308.3479 7.574283 275.5427 19.12845 32.80515       20.57346 
1 1 1 3   11 35 o 168.2649 9.604853 837.9741       94.39021 837.2863       100.5256 843.0989       274.3842 168.0889 10.24601 162.6827 29.85855 5.406235       31.56761 
1 1 1 3   11 36 f 116.5828 17.53707 416.0583       116.1957 444.2979       126.7560 267.4503       290.7769 120.2632 18.56883 99.18899 37.10744 21.07419       41.49414 
1 1 1 3   11 37 o 41.91426 18.11571 -6.626162      81.54333 5.749747       85.11894 -144.7176      284.3289 44.38873 18.82917 68.71593 31.43917 -24.32720      36.64640 
1 1 1 3   11 38 o 262.0612 7.717397 2026.576       118.4816 1989.691       126.4762 2290.984       338.6221 259.5309 8.320140 273.1544 21.30607 -13.62350      22.87298 
1 1 1 3   11 39 o 90.96156 17.48400 258.2669       89.88382 265.5341       94.03889 181.4387       305.7611 92.10300 18.05508 90.91344 36.84649 1.189568       41.03230 
1 1 1 3   11 40 o 75.00181 19.63937 179.7510       87.39050 184.0716       91.34825 133.1056       300.1451 75.82590 20.18556 85.27097 35.71748 -9.445068      41.02676 
1 1 1 3   11 41 o 119.9692 13.21484 438.6754       91.44011 453.2599       96.09087 298.8557       297.5228 121.8044 13.68805 96.62094 37.20739 25.18349       39.64534 
1 1 1 3   11 42 o 194.6128 9.311192 1130.659       105.9658 1146.307       112.2660 1002.867       320.8308 195.7681 9.809382 166.4667 34.01256 29.30141       35.39885 
1 1 1 3   11 43 o 236.7769 8.464189 1669.720       117.3481 1695.589       124.5763 1466.005       349.5871 238.4012 8.925735 204.8173 29.99163 33.58388       31.29164 
1 1 1 3   11 44 o 84.48988 20.22218 236.9376       98.86707 243.6881       103.2563 162.5611       342.7401 85.46555 20.79998 84.71336 36.87323 0.7521973      42.33527 
1 1 1 3   11 45 o 91.45042 19.73881 277.2255       102.7587 265.6717       106.9185 417.1021       372.0165 88.94063 20.86057 100.7146 40.70649 -11.77397      45.74038 
1 1 1 3   11 46 o 213.8109 9.601590 1376.980       120.0920 1381.322       126.6537 1338.300       378.0059 213.8309 10.12822 181.7796 36.72260 32.05128       38.09370 
1 1 1 3   11 47 o 40.05781 18.57884 -64.69834      104.1991 -40.72214      108.1058 -378.5583      391.1353 42.88300 19.53018 63.75167 31.20495 -20.86867      36.81273 
1 1 1 3   11 48 o 48.31795 20.85995 17.27331       107.8798 44.89509       112.6330 -289.4253      375.3146 52.20739 21.87488 64.37845 31.30228 -12.17106      38.18826 
1 1 1 3   11 49 o 174.1459 13.21365 945.7834       133.9470 916.6153       139.7946 1272.717       468.0219 170.7397 14.08583 149.8195 47.48547 20.92014       49.53060 
1 1 1 3   11 50 o 65.82855 24.68065 142.7940       128.7777 173.9749       133.5168 -273.1972      487.6784 70.38432 25.33825 70.58042 34.60889 -0.1960983     42.89292 
1 1 1 3   12 0  o 533.7166 9.595174 8368.412       300.3406 8540.724       434.4481 8210.679       415.6658 538.4844 13.76799 528.0270 13.43354 10.45740       19.23584 
1 1 1 3   12 1  o 564.4160 8.250341 9354.183       273.1000 9594.399       345.7580 8955.734       445.3043 571.3997 10.31767 551.6006 13.76517 19.79913       17.20274 
1 1 1 3   12 2  o 659.7919 8.211706 12782.12       317.7539 12522.69       436.3056 13075.13       463.6872 652.6666 11.39853 666.8389 11.85642 -14.17230      16.44692 
1 1 1 3   12 3  o 110.9787 5.072970 362.0883       32.93081 375.8046       42.37038 341.1623       52.33445 112.9808 6.420945 107.4677 8.369403 5.513023       10.54872 
1 1 1 3   12 4  o 161.3369 4.529596 764.1643       42.81675 735.9113       55.00531 807.6056       68.20615 158.2569 5.936932 165.7336 7.033167 -7.476624      9.203944 
1 1 1 3   12 5  o 207.4415 4.424053 1262.262       53.82281 1291.839       72.81284 1226.632       79.91595 209.7478 5.925096 204.3426 6.677404 5.405273       8.927177 
1 1 1 3   12 6  o 637.4603 9.268013 11931.00       346.4897 12121.45       431.9680 11587.40       580.2249 642.3121 11.46714 627.2637 15.78486 15.04834       19.51044 
1 1 1 3   12 7  o 455.4114 8.822686 6088.000       235.6434 6051.614       326.5583 6127.529       340.3707 453.6645 12.28501 456.4580 12.72697 -2.793488      17.68890 
1 1 1 3   12 8  o 497.4638 9.413505 7264.392       274.6397 7230.623       380.7329 7301.024       396.5481 495.8905 13.10282 498.2500 13.58324 -2.359497      18.87295 
1 1 1 3   12 9  o 884.9451 15.20892 23021.21       789.3422 22780.57       1096.368 23280.19       1137.357 879.2713 21.26097 888.7466 21.82068 -9.475281      30.46589 
1 1 1 3   12 10 o 305.9182 7.748812 2747.710       138.9125 2639.393       179.3728 2910.016       219.5709 299.6833 10.22067 314.5700 11.92323 -14.88672      15.70431 
1 1 1 3   12 11 o 924.3550 12.13253 25091.24       657.7197 24487.40       753.1131 27032.16       1350.219 912.9391 14.06591 957.1274 24.07291 -44.18823      27.88108 
1 1 1 3   12 12 o 773.5978 10.09508 17566.53       458.0106 17183.68       521.5652 18856.56       957.3960 764.9965 11.62515 800.0049 20.42225 -35.00842      23.49920 
1 1 1 3   12 13 o 621.3319 8.554367 11328.95       311.7181 10938.41       348.1284 12908.46       700.1127 610.4625 9.723666 662.1435 18.04556 -51.68103      20.49859 
1 1 1 3   12 14 o 460.6042 9.701166 6227.413       262.0610 6227.413       262.0610 0.000000       0.000000 460.6042 9.701166 ?        ?        0.000000       9.701166 
1 1 1 3   12 15 o 131.6373 9.060110 510.9965       69.51942 510.9965       69.51942 0.000000       0.000000 131.6373 9.060110 ?        ?        0.000000       9.060110 
1 1 1 3   12 16 o 646.9921 10.54718 12290.98       400.2083 12290.98       400.2083 0.000000       0.000000 646.9921 10.54718 ?        ?        0.000000       10.54718 
1 1 1 3   12 17 f 237.5061 7.353532 1656.848       102.3052 1661.943       112.8068 1633.242       242.8133 237.8299 8.099396 234.8705 17.75920 2.959396       19.51895 
1 1 1 3   12 18 o 767.3013 12.06374 17298.95       542.8730 17298.95       542.8730 0.000000       0.000000 767.3013 12.06374 ?        ?        0.000000       12.06374 
1 1 1 3   12 19 o 387.8585 6.373544 4414.121       144.9789 4240.392       158.7122 5289.659       356.2962 380.1193 7.119344 423.7947 14.35597 -43.67542      16.02432 
1 1 1 3   12 20 o 490.1769 8.551217 7055.152       245.8280 6804.229       291.3806 7674.807       457.8931 481.2342 10.32413 510.2716 15.31808 -29.03738      18.47244 
1 1 1 3   12 21 o 169.2648 6.711102 842.2541       66.48894 843.3602       70.39321 833.1039       202.4588 169.3506 7.103279 166.4676 21.21916 2.883026       22.37654 
1 1 1 3   12 22 o 157.9597 7.009586 733.9658       64.77480 714.3253       68.24265 912.6121       205.8152 155.7924 7.490891 174.3713 20.51800 -18.57889      21.84266 
1 1 1 3   12 23 o 285.4651 8.766450 2396.957       146.5927 2379.240       187.6314 2424.714       234.8561 284.1209 11.28278 286.4345 14.02323 -2.313538      17.99867 
1 1 1 3   12 24 o 347.1731 6.101920 3538.586       124.2405 3609.373       140.4342 3283.656       266.5053 350.5757 6.830315 333.3644 13.66020 17.21121       15.27266 
1 1 1 3   12 25 o 188.9294 6.634394 1049.639       73.39673 1035.976       78.51007 1144.393       206.7574 187.6518 7.146883 195.5651 18.23707 -7.913284      19.58746 
1 1 1 3   12 26 o 149.0986 7.428658 654.9215       64.75368 670.3669       68.14597 511.2704       207.8242 150.8222 7.729930 127.6240 28.48835 23.19815       29.51843 
1 1 1 3   12 27 o 285.7249 5.977204 2397.742       100.1605 2380.374       109.8672 2483.207       243.7197 284.6405 6.581440 289.3280 14.40848 -4.687500      15.84044 
1 1 1 3   12 28 o 146.0220 8.077370 629.0778       68.90387 625.9141       72.69298 657.0737       216.2424 145.5999 8.550606 145.2923 26.34739 0.3075562      27.70015 
1 1 1 3   12 29 o 331.6675 6.263389 3231.904       121.8324 3252.010       135.0410 3143.944       282.4492 332.6271 6.922414 325.3621 14.84117 7.264984       16.37621 
1 1 1 3   12 30 o 159.6422 8.646164 752.2346       80.64877 774.4904       85.90366 586.8388       234.1813 161.9396 9.081371 136.0212 30.14839 25.91846       31.48645 
1 1 1 3   12 31 o 243.4388 7.373010 1743.943       105.1440 1832.277       114.0975 1246.458       270.7715 249.4808 7.807702 202.3321 23.23997 47.14868       24.51646 
1 1 1 3   12 32 o 348.2029 7.155721 3564.423       146.1290 3650.458       162.7543 3206.666       331.8843 352.2855 7.877478 327.8139 17.32421 24.47156       19.03110 
1 1 1 3   12 33 o 209.2209 7.896879 1289.753       96.72324 1310.699       102.7693 1127.287       286.2155 210.8595 8.326735 190.9608 26.25020 19.89871       27.53920 
1 1 1 3   12 34 o 168.1644 9.421615 836.2761       92.54861 831.7747       97.64431 876.0585       290.2804 167.6244 9.977662 165.8252 30.98720 1.799179       32.55396 
1 1 1 3   12 35 o 302.7678 7.389937 2698.357       131.2203 2663.619       141.7436 2906.587       347.0374 300.6001 8.047379 310.3203 19.16193 -9.720154      20.78316 
1 1 1 3   12 36 o 198.5273 8.667897 1164.644       100.6785 1141.417       105.9670 1380.073       322.7203 196.4342 9.223962 209.7533 26.84898 -13.31903      28.38924 
1 1 1 3   12 37 f 160.4389 11.97340 768.0200       111.8496 849.3083       119.9847 228.8112       309.0226 168.7031 12.20959 96.46828 37.70503 72.23478       39.63261 
1 1 1 3   12 38 o 162.6573 10.51985 787.3285       99.81561 796.1946       104.9616 703.5013       322.7418 163.4606 11.01308 142.6031 37.93249 20.85751       39.49888 
1 1 1 3   12 39 o 30.36744 14.84884 -162.0499      87.88826 -195.2764      91.76460 206.4946       305.6173 29.65946 14.63460 92.31990 37.04174 -62.66045      39.82791 
1 1 1 3   12 40 o 344.3197 7.351122 3503.472       148.4452 3500.731       161.4790 3518.420       377.1533 343.9391 8.005418 337.1717 19.15163 6.767426       20.75745 
1 1 1 3   12 41 o 162.2598 10.61736 789.8990       100.4814 805.5016       105.8898 648.7581       318.4796 163.6921 11.09558 130.2203 38.80119 33.47177       40.35646 
1 1 1 3   12 42 o 172.5302 10.22844 893.0516       103.0319 917.3807       108.0751 650.4691       341.2657 174.7289 10.59636 127.1346 40.57779 47.59423       41.93853 
1 1 1 3   12 43 o 116.2386 15.21754 421.3392       101.2510 446.5385       105.7373 143.1422       351.3259 119.6136 15.43215 85.26871 37.21997 34.34487       40.29240 
1 1 1 3   12 44 o 56.45782 21.68148 82.02171       100.8341 107.8938       105.5595 -187.6971      340.8293 60.95555 22.44098 67.49345 32.01613 -6.537907      39.09770 
1 1 1 3   12 45 o 152.1046 12.17996 708.2483       107.7450 679.8901       112.7873 1004.304       364.4241 148.5355 13.08080 153.1506 40.10615 -4.615082      42.18543 
1 1 1 3   12 46 o 61.89689 22.40038 118.4760       104.5186 151.2325       108.5502 -298.0904      387.1003 67.51475 22.94890 66.23247 32.10722 1.282280       39.46549 
1 1 1 3   12 47 o 237.3030 9.329560 1697.540       129.5889 1682.734       136.9580 1824.122       400.4603 235.8434 9.923958 216.6418 32.52180 19.20164       34.00224 
1 1 1 3   12 48 o 136.8596 15.02053 594.4567       118.5834 583.2726       123.9886 714.4058       406.0488 134.8952 15.98253 114.4054 43.61414 20.48980       46.45034 
1 1 1 3   12 49 o 106.2301 21.72020 392.5404       130.7494 402.5476       136.5121 281.4623       454.8078 107.0312 22.46469 87.08537 39.81298 19.94585       45.71363 
1 1 1 3   13 0  o 146.2645 5.980821 628.7366       51.19566 604.4477       66.97820 662.8697       79.39945 143.2764 8.002718 149.9795 9.069209 -6.703064      12.09521 
1 1 1 3   13 1  o 397.7295 7.653921 4642.957       178.5346 4629.558       249.1854 4657.090       255.9214 396.8367 10.71662 397.9915 10.97481 -1.154785      15.33925 
1 1 1 3   13 2  o 389.1496 7.525420 4444.554       171.7504 4436.056       239.4627 4453.556       246.4726 388.4760 10.52018 389.2162 10.80806 -0.7401428     15.08272 
1 1 1 3   13 3  o 239.7540 4.637793 1686.119       65.21203 1661.203       87.46568 1717.305       97.85361 237.8624 6.275391 241.8166 6.906936 -3.954178      9.332005 
1 1 1 3   13 4  o 298.1241 4.925867 2607.106       86.12520 2646.032       118.1332 2562.943       125.8297 300.2988 6.707610 295.5308 7.259885 4.768036       9.884228 
1 1 1 3   13 5  f 682.0938 8.477949 13655.43       339.1450 13873.61       488.0058 13451.63       471.6587 687.1949 12.10862 676.6866 11.88474 10.50836       16.96661 
1 1 1 3   13 6  o 547.1736 8.204081 8786.482       263.2726 9017.843       329.1134 8375.334       438.7338 554.2158 10.12549 533.6283 14.03100 20.58752       17.30302 
1 1 1 3   13 7  o 388.4529 6.510471 4426.880       148.3205 4437.287       176.4816 4401.851       273.6949 388.8721 7.738238 386.9478 12.07524 1.924255       14.34195 
1 1 1 3   13 8  o 538.9456 10.04671 8526.292       317.5552 8344.265       430.3064 8743.979       470.5719 532.7411 13.78402 545.2604 14.72887 -12.51935      20.17273 
1 1 1 3   13 9  o 537.1383 10.06075 8468.861       316.9328 8304.226       429.9173 8664.839       469.0573 531.4803 13.80432 542.8087 14.74794 -11.32843      20.20052 
1 1 1 3   13 10 o 511.6815 9.809072 7684.706       294.3596 7404.512       389.3172 8058.673       449.7710 501.8999 13.23778 523.4769 14.66464 -21.57700      19.75578 
1 1 1 3   13 11 o 505.3928 7.947095 7494.634       235.5526 7206.634       271.9003 8360.989       471.5864 495.5273 9.356030 533.1578 15.09706 -37.63049      17.76110 
1 1 1 3   13 12 o 924.5639 12.13525 25104.28       658.0156 24080.31       730.6902 29497.32       1513.468 905.3171 13.76202 999.2197 25.84797 -93.90259      29.28328 
1 1 1 3   13 13 o 514.4125 10.48957 7768.748       316.4608 7427.452       412.4681 8257.154       493.4187 502.5625 14.00792 529.6984 15.90115 -27.13589      21.19123 
1 1 1 3   13 14 o 470.9098 10.15115 6510.158       280.3519 6510.158       280.3519 0.000000       0.000000 470.9098 10.15115 ?        ?        0.000000       10.15115 
1 1 1 3   13 15 o 610.1011 9.983953 10927.79       357.2357 10927.79       357.2357 0.000000       0.000000 610.1011 9.983953 ?        ?        0.000000       9.983953 
1 1 1 3   13 16 o 642.3322 8.800937 12110.54       331.5424 11914.10       378.3229 12760.75       688.3057 637.0010 10.12679 658.1135 17.84971 -21.11255      20.52229 
1 1 1 3   13 17 o 307.5728 7.869624 2778.210       141.8390 2778.210       141.8390 0.000000       0.000000 307.5728 7.869624 ?        ?        0.000000       7.869624 
1 1 1 3   13 18 o 957.7933 12.36033 26963.60       694.3082 26647.82       803.3686 27895.58       1380.145 951.7736 14.39232 970.9907 24.23590 -19.21716      28.18718 
1 1 1 3   13 19 o 232.4981 6.092363 1587.236       83.00062 1594.893       88.83142 1534.589       232.9335 233.0367 6.506042 227.4731 17.59701 5.563599       18.76122 
1 1 1 3   13 20 o 317.5899 5.934797 2959.802       110.5409 2910.052       120.5571 3222.434       276.9921 314.8860 6.528131 330.5082 14.32409 -15.62222      15.74154 
1 1 1 3   13 21 o 433.8436 6.715143 5525.070       170.8594 5679.367       197.5524 5067.030       340.3736 439.7912 7.659234 414.5158 14.02135 25.27539       15.97693 
1 1 1 3   13 22 o 233.7309 5.969972 1604.523       81.76797 1644.433       89.14079 1392.760       205.3339 236.5918 6.430268 216.5757 16.28520 20.01613       17.50875 
1 1 1 3   13 23 o 421.4028 6.595831 5214.242       163.0112 5248.369       186.8320 5105.424       333.6210 422.6940 7.536589 415.8491 13.69810 6.844879       15.63451 
1 1 1 3   13 24 o 641.5385 8.714049 12100.55       327.8636 11986.65       379.2645 12437.43       652.2305 638.2175 10.13265 647.7399 17.18437 -9.522461      19.94927 
1 1 1 3   13 25 f 478.0089 7.077709 6713.129       198.4172 6685.356       227.0186 6802.987       408.3477 476.8752 8.117198 479.5072 14.53739 -2.631989      16.65006 
1 1 1 3   13 26 o 245.6114 6.230237 1772.995       89.67117 1773.807       96.96292 1768.192       235.6933 245.6204 6.737538 243.5992 16.59673 2.021194       17.91217 
1 1 1 3   13 27 o 214.0396 6.390528 1347.136       80.12991 1329.266       85.84752 1468.043       223.3011 212.5655 6.895402 221.5703 17.32175 -9.004837      18.64376 
1 1 1 3   13 28 o 349.2123 6.334628 3583.003       129.7362 3527.831       142.2227 3856.464       316.6344 346.4386 6.999904 360.3728 15.01440 -13.93420      16.56596 
1 1 1 3   13 29 o 388.4112 6.698730 4433.645       152.5930 4478.823       171.8283 4265.069       331.9142 390.2752 7.507116 379.0106 14.96160 11.26462       16.73936 
1 1 1 3   13 30 o 453.0358 7.189410 6033.556       191.0189 6035.720       216.1231 6025.830       408.3492 452.9582 8.135654 450.4454 15.48050 2.512756       17.48813 
1 1 1 3   13 31 o 348.4698 7.206527 3569.808       147.2793 3552.593       162.5491 3648.735       348.0566 347.5304 7.975191 349.8991 17.01218 -2.368652      18.78877 
1 1 1 3   13 32 o 180.9201 9.051235 966.2507       95.73343 1008.194       101.5157 629.2166       287.7668 184.7673 9.399111 139.4967 35.18445 45.27051       36.41825 
1 1 1 3   13 33 o 237.4722 7.560790 1660.732       105.1663 1689.998       112.4164 1455.542       297.6614 239.4948 8.014847 218.1830 23.63943 21.31183       24.96118 
1 1 1 3   13 34 o 104.8307 15.23518 333.5477       90.92700 319.0448       95.44499 475.9500       299.0771 102.1932 16.48592 121.2912 37.89378 -19.09792      41.32462 
1 1 1 3   13 35 o 152.9192 10.66591 694.6985       95.05599 725.2449       99.77103 394.2391       312.9080 156.2051 10.96033 112.5284 38.94007 43.67677       40.45316 
1 1 1 3   13 36 o 207.6768 8.678805 1274.559       105.4727 1303.719       113.0525 1078.715       292.9823 209.9427 9.204190 184.4110 27.96592 25.53177       29.44164 
1 1 1 3   13 37 o 52.86999 20.50810 56.94592       90.87251 49.64489       94.52600 145.9551       330.0477 52.44855 20.74565 91.55488 37.82598 -39.10633      43.14148 
1 1 1 3   13 38 o 172.2277 10.46394 882.7971       105.1949 859.0130       110.6454 1106.517       339.3459 169.7067 11.17916 182.3141 32.94987 -12.60736      34.79465 
1 1 1 3   13 39 o 70.36458 20.47211 156.5443       89.54900 220.9770       93.19017 -619.9813      323.5153 83.27550 19.43686 55.29050 27.31809 27.98499       33.52715 
1 1 1 3   13 40 f 129.5504 12.48710 508.2910       93.70065 577.8366       98.66029 -131.7212      299.2965 138.2637 12.29510 68.61496 31.70568 69.64873       34.00617 
1 1 1 3   13 41 o 265.8031 8.099656 2097.665       126.1160 2147.774       134.3052 1723.950       366.7778 268.7811 8.530881 225.9981 28.29054 42.78299       29.54878 
1 1 1 3   13 42 f 33.26496 16.00057 -125.2273      91.65630 -117.9352      94.97160 -224.2365      349.9497 34.59781 16.54759 68.66054 32.53220 -34.06273      36.49886 
1 1 1 3   13 43 o 206.1603 9.622639 1274.246       116.0246 1331.172       122.1583 749.7117       370.8120 210.5808 9.919186 131.5173 42.33041 79.06354       43.47705 
1 1 1 3   13 44 o 185.1209 10.59865 1035.529       114.5877 971.9444       120.1922 1670.026       379.6766 178.8510 11.51994 213.9159 31.18024 -35.06493      33.24029 
1 1 1 3   13 45 o 112.2418 16.77928 403.4224       107.0684 417.6881       111.2125 222.6337       395.9067 114.0290 17.16130 88.24390 38.98000 25.78506       42.59050 
1 1 1 3   13 46 o 75.78693 22.39609 198.6562       106.4568 199.3801       110.1440 188.3836       414.9091 75.79775 22.87242 85.54898 38.68300 -9.751228      44.93909 
1 1 1 3   13 47 o 98.44124 20.33739 328.7004       113.5280 381.0509       119.3385 -169.9623      368.3184 106.5227 19.83200 67.72784 32.44524 38.79482       38.02633 
1 1 1 3   13 48 o 112.4159 19.14316 422.6093       121.6908 466.8460       129.0356 66.88236       365.9119 118.1534 19.28611 75.67883 35.00053 42.47454       39.96237 
1 1 1 3   13 49 o 118.7107 20.11037 477.7771       135.0173 485.5056       142.3528 408.5310       426.1014 118.8161 21.20675 92.58283 40.68513 26.23331       45.88034 
1 1 1 3   14 0  o 861.7607 14.75388 21834.99       745.6647 21843.11       1053.406 21826.83       1055.656 860.7744 20.86680 860.4421 20.91945 0.3322754      29.54737 
1 1 1 3   14 1  o 748.6702 12.95031 16469.73       568.6190 15944.17       766.9238 17111.36       847.3798 735.9673 17.76819 762.2285 18.95581 -26.26111      25.98137 
1 1 1 3   14 2  o 452.9088 7.010098 6018.607       186.2024 6084.970       231.4211 5896.766       313.5718 455.3286 8.666176 447.8932 11.94813 7.435364       14.76010 
1 1 1 3   14 3  o 352.4878 5.366909 3644.625       110.9478 3637.883       152.4774 3652.210       161.7398 352.1095 7.383755 352.7888 7.817206 -0.6792908     10.75307 
1 1 1 3   14 4  o 672.3977 8.415949 13268.21       331.8791 13687.87       485.4270 12899.88       454.7675 682.6620 12.12461 662.7578 11.69995 19.90424       16.84918 
1 1 1 3   14 5  f 918.4507 11.13574 24768.51       599.8262 25415.47       878.3387 24203.10       821.1144 929.7055 16.10891 907.3621 15.43023 22.34338       22.30670 
1 1 1 3   14 6  o 338.2887 6.186124 3357.103       122.7317 3456.643       146.5340 3123.161       224.6442 343.2415 7.279272 325.9110 11.77225 17.33054       13.84102 
1 1 1 3   14 7  o 313.5217 6.023953 2883.440       110.7643 2903.809       128.7440 2825.409       217.3076 314.6078 6.977612 309.9567 11.97682 4.651154       13.86114 
1 1 1 3   14 8  o 406.1082 6.894216 4838.449       164.2015 4888.025       196.4341 4723.456       299.1660 408.1439 8.206408 400.8267 12.74258 7.317200       15.15646 
1 1 1 3   14 9  o 504.2303 9.772894 7462.549       289.0032 7335.562       389.1927 7618.645       431.4980 499.5459 13.29613 508.9868 14.46980 -9.440979      19.65101 
1 1 1 3   14 10 o 814.9351 14.25208 19514.33       681.1639 18701.45       900.7977 20599.85       1040.953 797.1080 19.26902 835.9859 21.24878 -38.87793      28.68459 
1 1 1 3   14 11 o 342.6877 9.175853 3449.112       184.2487 3259.198       230.4570 3785.551       306.7358 332.9340 11.82146 358.6044 14.61535 -25.67047      18.79775 
1 1 1 3   14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   14 13 o 488.8140 10.59567 7015.416       303.7545 7015.416       303.7545 0.000000       0.000000 488.8140 10.59567 ?        ?        0.000000       10.59567 
1 1 1 3   14 14 o 222.4705 7.611267 1454.020       99.16076 1454.020       99.16076 0.000000       0.000000 222.4705 7.611267 ?        ?        0.000000       7.611267 
1 1 1 3   14 15 o 616.2860 8.560776 11147.76       309.4182 10987.46       351.8889 11694.20       649.6887 611.7504 9.808008 630.0260 17.60038 -18.27557      20.14871 
1 1 1 3   14 16 f 332.1406 6.184330 3236.608       120.4662 3157.334       132.1928 3624.893       292.5625 328.0279 6.871422 350.8202 14.24912 -22.79233      15.81942 
1 1 1 3   14 17 o 330.9124 6.119075 3212.868       118.7543 3116.789       128.8657 3754.036       305.8356 325.9071 6.742065 356.9222 14.64155 -31.01508      16.11925 
1 1 1 3   14 18 o 245.0038 5.946905 1761.298       85.45044 1735.142       91.67407 1934.547       235.9388 243.0800 6.436193 255.8142 15.80337 -12.73418      17.06373 
1 1 1 3   14 19 f 291.4684 5.910699 2492.894       101.0371 2430.555       109.1405 2866.545       267.2025 287.7814 6.466547 311.6551 14.66003 -23.87366      16.02288 
1 1 1 3   14 20 o 476.2812 9.847228 6666.411       275.0603 6458.889       360.2658 6956.448       425.9109 468.2318 13.13230 485.6131 14.97259 -17.38132      19.91572 
1 1 1 3   14 21 o 269.3739 5.783625 2129.632       91.37054 2179.587       100.1958 1882.943       222.6548 272.4945 6.269620 252.2168 15.12191 20.27774       16.37010 
1 1 1 3   14 22 o 109.2901 8.348051 353.0036       53.10277 336.8946       55.25767 547.5413       192.0262 106.6923 8.912327 133.2603 25.49888 -26.56800      27.01153 
1 1 1 3   14 23 o 352.1714 6.116535 3641.432       126.3311 3649.308       141.2490 3609.941       282.4326 352.4975 6.832485 349.4846 13.80676 3.012909       15.40485 
1 1 1 3   14 24 o 470.1045 7.001811 6492.292       193.0435 6365.708       217.0726 6970.972       422.1223 465.3764 7.953352 485.3686 14.84660 -19.99213      16.84272 
1 1 1 3   14 25 o 137.1705 8.065956 555.1068       64.60202 571.7203       68.05312 403.6542       205.4726 139.1826 8.375812 113.2483 30.33081 25.93428       31.46605 
1 1 1 3   14 26 o 92.07772 11.12586 253.5773       58.86444 255.5885       61.39461 230.6738       207.1806 92.37152 11.58719 90.80285 31.67048 1.568672       33.72361 
1 1 1 3   14 27 o 147.9506 8.139526 645.8318       70.35416 651.1535       73.69840 591.1547       236.2317 148.5202 8.496458 136.5602 30.28946 11.95998       31.45856 
1 1 1 3   14 28 o 331.2062 6.352633 3223.126       123.3965 3197.907       136.1390 3339.239       292.1183 329.8337 7.037803 335.3124 14.89167 -5.478638      16.47096 
1 1 1 3   14 29 o 444.9826 7.166138 5820.984       187.0160 5817.576       210.9741 5833.484       404.0596 444.6995 8.089318 443.1346 15.57165 1.564819       17.54746 
1 1 1 3   14 30 o 327.1937 6.888245 3146.490       132.1795 3168.521       144.4346 3032.941       327.8982 328.2672 7.502280 318.7583 17.60831 9.508942       19.13993 
1 1 1 3   14 31 o 140.2822 11.24312 584.3464       91.72584 631.4268       96.55283 148.4872       293.7772 145.8369 11.37879 90.70393 36.34322 55.13299       38.08289 
1 1 1 3   14 32 o 363.0435 7.083360 3875.376       150.8164 4030.915       167.9433 3227.347       342.7993 370.1607 7.736094 328.4714 17.86196 41.68936       19.46527 
1 1 1 3   14 33 o 100.0570 15.98148 305.1346       90.62742 340.0898       95.22597 -30.78849      295.2021 105.7864 15.83510 77.52797 33.97277 28.25847       37.48199 
1 1 1 3   14 34 o 44.29356 18.82994 3.639227       85.44461 15.79664       89.37125 -125.6640      291.4619 46.82134 19.54225 71.15104 32.27203 -24.32970      37.72776 
1 1 1 3   14 35 o 98.03722 17.00937 295.8130       94.25367 273.9630       98.65388 524.4919       319.1544 93.88400 18.57527 125.5330 39.13376 -31.64898      43.31850 
1 1 1 3   14 36 o 122.3891 13.22186 450.5827       93.39959 485.2880       98.40978 135.5466       296.4975 127.0204 13.41265 87.98566 36.04841 39.03476       38.46280 
1 1 1 3   14 37 o 226.0543 8.819751 1511.773       116.7039 1495.359       123.0979 1657.571       366.8808 224.6967 9.361721 228.0909 28.01389 -3.394180      29.53676 
1 1 1 3   14 38 o 172.5004 13.02666 893.8193       130.8134 889.7603       141.9865 916.6074       336.4257 171.7161 14.22648 162.9004 36.15789 8.815674       38.85596 
1 1 1 3   14 39 o 140.6539 11.52297 594.4987       94.22068 537.8828       98.09520 1269.022       338.5925 133.3961 12.69148 194.2527 30.74289 -60.85655      33.25956 
1 1 1 3   14 40 o 90.27757 17.90772 259.1896       91.46483 299.1791       95.21031 -219.2854      329.3372 97.38294 17.30460 67.82762 31.96263 29.55532       36.34637 
1 1 1 3   14 41 o 69.52124 20.96365 156.1481       92.55083 130.6324       95.84460 508.3596       356.0950 64.81073 21.56104 113.7001 41.31846 -48.88934      46.60572 
1 1 1 3   14 42 o 200.4104 9.461679 1201.748       110.8948 1173.064       116.0297 1504.469       376.9399 197.7522 10.03737 204.5882 32.50099 -6.835922      34.01563 
1 1 1 3   14 43 o 71.79573 22.29282 171.3039       103.6814 216.3572       108.1182 -344.0819      365.6806 80.03004 22.23881 64.77205 31.35321 15.25800       38.43941 
1 1 1 3   14 44 o 134.5258 14.24338 562.8196       110.6699 599.7999       115.5749 154.6762       383.9586 138.8263 14.40429 85.13676 37.95272 53.68952       40.59425 
1 1 1 3   14 45 f 36.16584 17.38800 -135.5172      107.9567 -117.8268      112.4481 -343.7904      385.8345 38.26471 18.21926 65.05446 31.65524 -26.78975      36.52391 
1 1 1 3   14 46 o 80.10739 22.55774 224.1486       110.4573 246.4005       115.5122 -13.53410      377.5225 83.80137 22.86986 74.55943 34.84219 9.241936       41.67743 
1 1 1 3   14 47 o 54.24262 22.37583 58.92489       115.2533 67.03824       120.5267 -27.75158      393.9435 55.91029 22.95374 74.19984 34.96296 -18.28955      41.82442 
1 1 1 3   14 48 o 113.2217 19.92439 433.6527       127.4725 470.3818       134.7391 120.4263       393.4757 117.7721 20.23651 78.86759 36.41130 38.90455       41.65693 
1 1 1 3   14 49 o 75.85663 24.13664 208.4481       120.8201 290.8292       125.3267 -875.6459      454.6357 89.63740 23.54177 57.19943 28.85424 32.43797       37.23952 
1 1 1 3   15 0  o 275.9118 6.517731 2233.324       105.4671 2402.254       151.7451 2075.463       146.6895 285.9551 9.059716 265.7515 9.426737 20.20358       13.07447 
1 1 1 3   15 1  o 118.9883 7.464739 417.0424       51.82933 444.5793       63.14835 360.2036       90.72490 122.7646 8.829764 109.7768 14.44169 12.98774       16.92711 
1 1 1 3   15 2  o 342.7317 7.152965 3446.317       143.7775 3394.210       193.3756 3510.732       215.0040 339.9181 9.710065 345.6491 10.61881 -5.731049      14.38904 
1 1 1 3   15 3  o 265.7067 6.527701 2071.146       101.7216 2157.783       137.1303 1965.151       151.6797 271.0264 8.638264 258.5500 10.02203 12.47638       13.23105 
1 1 1 3   15 4  o 641.2159 8.095170 12064.53       304.4253 12086.39       428.7851 12042.32       432.2810 641.5927 11.39541 640.4135 11.50947 1.179199       16.19639 
1 1 1 3   15 5  o 494.2677 6.659678 7166.954       193.0483 7486.840       282.0631 6885.072       264.7789 505.0627 9.522491 484.3489 9.321258 20.71378       13.32530 
1 1 1 3   15 6  o 414.2077 6.977746 5033.428       169.5055 5246.884       207.8750 4609.873       292.8218 422.8546 8.382251 395.9826 12.62502 26.87207       15.15432 
1 1 1 3   15 7  o 273.5932 6.112110 2195.795       98.07243 2231.038       111.2521 2072.926       207.7271 275.7664 6.878855 265.3058 13.39377 10.46063       15.05695 
1 1 1 3   15 8  o 351.9617 6.537086 3634.109       134.9367 3681.156       158.7106 3511.406       256.3143 354.2047 7.640137 345.5330 12.66977 8.671661       14.79509 
1 1 1 3   15 9  o 463.8077 7.710158 6311.937       209.7257 6360.358       252.1446 6203.229       377.7997 465.5213 9.235484 459.2570 14.04319 6.264282       16.80790 
1 1 1 3   15 10 o 297.9496 9.478246 2608.303       165.4125 2405.317       203.7261 3001.004       283.3637 285.9189 12.17724 319.1578 15.18222 -33.23892      19.46240 
1 1 1 3   15 11 o 392.5346 9.851789 4525.965       226.6210 4547.738       299.7354 4496.910       346.2557 393.2311 13.01482 390.8220 15.13524 2.409149       19.96149 
1 1 1 3   15 12 o 763.4467 13.83565 17128.83       619.4820 16694.47       831.5085 17670.66       928.6841 752.7680 18.84937 774.1557 20.47248 -21.38770      27.82843 
1 1 1 3   15 13 o 339.8751 9.872140 3394.178       196.5716 3394.178       196.5716 0.000000       0.000000 339.8751 9.872140 ?        ?        0.000000       9.872140 
1 1 1 3   15 14 o 533.2229 7.841949 8344.131       245.2355 8089.466       272.0942 9446.391       566.0784 524.9668 8.837652 566.2618 17.06494 -41.29498      19.21760 
1 1 1 3   15 15 o 228.8871 7.350666 1538.975       98.54509 1538.975       98.54509 0.000000       0.000000 228.8871 7.350666 ?        ?        0.000000       7.350666 
1 1 1 3   15 16 o 623.5963 8.555158 11415.97       312.8830 11034.33       348.3466 13009.19       711.7481 612.9875 9.689679 664.1194 18.29125 -51.13190      20.69927 
1 1 1 3   15 17 o 357.7619 6.215994 3755.780       130.4233 3585.063       141.4518 4724.288       336.9155 349.5091 6.900799 400.4091 14.37048 -50.90002      15.94151 
1 1 1 3   15 18 o 393.0735 6.437995 4534.423       148.4140 4484.206       165.7016 4738.119       333.7256 390.8493 7.228812 400.9240 14.21559 -10.07465      15.94800 
1 1 1 3   15 19 o 373.1582 6.284825 4086.836       137.5424 4224.748       158.6509 3669.538       275.9710 379.3545 7.130939 352.8009 13.36192 26.55356       15.14567 
1 1 1 3   15 20 o 100.6920 9.212378 300.4209       53.80015 306.9382       56.21791 229.5024       185.4470 101.7506 9.531742 89.81731 29.99402 11.93332       31.47214 
1 1 1 3   15 21 o 214.4657 5.905768 1351.136       74.21148 1332.893       79.45816 1475.748       207.6696 212.9812 6.368466 222.9577 15.98794 -9.976547      17.20963 
1 1 1 3   15 22 o 482.4147 7.115591 6835.611       201.3177 6752.669       229.0963 7116.763       421.7958 479.3561 8.149093 490.7091 14.67289 -11.35297      16.78397 
1 1 1 3   15 23 o 541.2125 7.664924 8607.563       243.2911 8650.947       284.5246 8489.566       469.2234 542.3661 8.944925 535.6927 14.94990 6.673462       17.42158 
1 1 1 3   15 24 o 255.6352 5.908767 1918.954       88.58659 1916.154       95.85411 1935.347       231.9303 255.3376 6.406022 255.2149 15.56942 0.1227875      16.83579 
1 1 1 3   15 25 o 118.0780 8.829651 412.5083       60.70255 396.2345       63.84085 565.9299       196.0190 115.6297 9.497746 134.9051 25.71373 -19.27540      27.41173 
1 1 1 3   15 26 o 181.8961 6.937847 973.8116       73.87572 959.5565       77.91029 1100.853       232.5855 180.5144 7.374758 190.6691 21.15504 -10.15474      22.40364 
1 1 1 3   15 27 o 283.4890 6.227981 2361.117       103.5462 2324.857       111.4938 2588.592       279.2585 281.2564 6.759239 294.7923 16.21495 -13.53586      17.56736 
1 1 1 3   15 28 o 477.7701 7.341896 6711.328       205.7206 6614.467       230.2797 7094.153       457.8079 474.1393 8.281315 488.5401 15.99995 -14.40085      18.01607 
1 1 1 3   15 29 o 333.9152 6.686386 3276.688       130.9418 3255.036       143.9873 3380.195       314.8192 332.7316 7.378695 337.0704 15.97081 -4.338837      17.59295 
1 1 1 3   15 30 o 186.0257 10.72051 1023.797       116.4651 964.0877       125.3991 1398.608       314.1816 180.3091 11.92537 213.6275 25.58515 -33.31844      28.22790 
1 1 1 3   15 31 o 138.8248 10.82649 571.9584       87.45002 563.8779       91.83042 650.6462       286.5650 137.7335 11.47240 141.9232 34.71899 -4.189697      36.56535 
1 1 1 3   15 32 o 249.4689 7.699489 1832.916       112.5145 1883.415       121.0682 1512.951       304.7480 252.8157 8.176118 222.4319 23.72701 30.38387       25.09621 
1 1 1 3   15 33 o 105.0107 14.92972 334.2577       89.35892 353.2348       93.67365 142.3800       297.8616 107.9387 15.21949 89.75233 36.37049 18.18636       39.42645 
1 1 1 3   15 34 o 252.8243 7.995811 1885.021       118.4092 1924.831       126.9383 1618.288       328.5764 255.3919 8.486693 228.6156 24.90879 26.77632       26.31486 
1 1 1 3   15 35 o 257.7875 7.852573 1960.131       118.5817 1982.226       126.0771 1790.707       349.1216 259.1481 8.306133 239.9734 25.18099 19.17468       26.51555 
1 1 1 3   15 36 o 42.60008 18.85644 -25.97574      93.10699 -40.45621      97.57263 121.4451       311.3266 42.24293 18.95942 88.10583 36.59944 -45.86290      41.21867 
1 1 1 3   15 37 o 364.4378 7.588470 3917.542       162.1915 3913.048       177.8623 3939.729       395.1778 364.0103 8.331435 359.6706 18.79955 4.339722       20.56297 
1 1 1 3   15 38 o 376.2833 7.396584 4180.057       163.2287 4137.344       176.9003 4424.788       423.4418 374.1191 8.062472 379.5725 19.08287 -5.453461      20.71616 
1 1 1 3   15 39 o 56.51409 23.79280 31.69453       134.2441 53.19753       148.2779 -66.04297      316.1240 60.98687 25.28961 73.89931 33.55457 -12.91245      42.01753 
1 1 1 3   15 40 o 263.5407 7.859826 2060.269       121.3460 2084.772       129.2153 1877.277       353.1128 264.9191 8.327025 238.8835 25.60339 26.03561       26.92347 
1 1 1 3   15 41 o 69.77773 21.28759 157.7804       95.05086 182.0646       99.31521 -106.9250      327.8954 74.46501 21.52859 71.37699 33.05352 3.088020       39.44636 
1 1 1 3   15 42 o 54.57921 21.46614 67.33353       100.6921 88.57452       104.5843 -202.2118      372.5588 58.22800 22.14971 70.81551 33.55719 -12.58751      40.20815 
1 1 1 3   15 43 o 33.20284 16.17771 -164.9942      101.6963 -153.1706      106.2060 -295.4155      352.7355 34.92645 16.90403 64.74748 31.20585 -29.82104      35.49016 
1 1 1 3   15 44 o 153.7077 12.71459 726.2054       113.5925 712.0706       118.8356 875.8677       386.6852 151.7609 13.49218 137.1535 43.12242 14.60739       45.18387 
1 1 1 3   15 45 o 99.18324 20.48549 331.3854       115.2146 372.7874       120.2839 -128.9799      401.0956 105.5522 20.16580 72.50152 34.48919 33.05066       39.95201 
1 1 1 3   15 46 o 88.88764 22.42078 276.4560       116.8488 277.5013       122.5149 265.9333       388.7238 88.54512 23.28640 87.37029 38.60805 1.174828       45.08700 
1 1 1 3   15 47 o 60.21662 23.05586 106.7294       113.7923 61.57846       120.2703 492.3095       351.4653 55.09479 22.80494 100.5114 39.92415 -45.41656      45.97829 
1 1 1 3   15 48 o 62.30036 23.71108 120.0750       119.8872 114.9100       124.7016 183.1176       435.6672 61.95577 24.02632 82.59015 38.19493 -20.63438      45.12335 
1 1 1 3   15 49 o 45.14029 20.62225 -38.45449      121.7430 -78.59555      126.6220 452.5135       442.8343 43.06631 20.14259 93.23550 41.20339 -50.16919      45.86331 
1 1 1 3   16 0  o 535.4379 9.754517 8414.832       306.3130 8507.058       435.3251 8324.392       431.0899 537.9351 13.80997 532.1232 13.82526 5.811951       19.54106 
1 1 1 3   16 1  o 686.6088 12.02231 13843.84       484.1143 14096.84       697.8492 13609.12       672.1553 692.3415 17.18663 680.2980 16.84690 12.04352       24.06654 
1 1 1 3   16 2  o 210.0188 6.571725 1295.228       80.84501 1284.594       101.0295 1314.160       134.8052 209.0688 8.255875 211.2917 10.91562 -2.222855      13.68614 
1 1 1 3   16 3  o 489.4517 9.102161 7030.666       261.2792 6924.525       356.5768 7153.729       383.9490 485.4036 12.53612 493.3105 13.28306 -7.906952      18.26455 
1 1 1 3   16 4  f 659.5579 8.332532 12765.18       322.3149 13055.86       464.2892 12494.77       447.8020 666.7877 11.87273 652.3152 11.70518 14.47247       16.67252 
1 1 1 3   16 5  o 900.1281 10.95510 23787.73       578.3239 24124.28       832.7711 23474.22       803.7480 905.9017 15.67451 893.6602 15.33547 12.24152       21.92868 
1 1 1 3   16 6  o 352.9990 8.932054 3659.303       184.7678 3736.182       247.1374 3561.872       278.2172 356.4963 11.83683 347.9229 13.66141 8.573486       18.07608 
1 1 1 3   16 7  o 452.1525 7.514563 5998.543       199.2688 5923.934       233.2119 6200.358       383.5578 449.2807 8.850796 459.1248 14.26187 -9.844116      16.78504 
1 1 1 3   16 8  o 475.2772 9.923771 6630.864       276.6140 6621.984       374.6793 6641.503       410.0983 474.5587 13.47594 475.1316 14.73495 -0.5728455     19.96797 
1 1 1 3   16 9  o 335.4842 6.992926 3302.152       137.5883 3310.198       154.6336 3271.574       301.4577 335.8693 7.850245 333.2247 15.46768 2.644562       17.34576 
1 1 1 3   16 10 o 771.7128 11.48401 17489.54       519.7565 16741.10       598.2034 19794.98       1049.899 754.8041 13.51338 819.1148 21.87466 -64.31067      25.71210 
1 1 1 3   16 11 o 627.8635 12.09456 11579.78       445.3546 10995.67       574.9662 12455.83       704.1381 611.2133 16.05370 650.1730 18.48500 -38.95966      24.48298 
1 1 1 3   16 12 o 904.0717 15.85626 24042.51       840.7256 23176.45       1118.144 25168.99       1275.210 886.4814 21.50688 922.9766 23.57742 -36.49518      31.91302 
1 1 1 3   16 13 o 823.9569 15.04024 19967.35       726.7913 19967.35       726.7913 0.000000       0.000000 823.9569 15.04024 ?        ?        0.000000       15.04024 
1 1 1 3   16 14 o 49.88996 14.05317 75.12966       42.86279 75.12966       42.86279 0.000000       0.000000 49.88996 14.05317 ?        ?        0.000000       14.05317 
1 1 1 3   16 15 f 513.8697 9.632716 7754.559       290.3035 7754.559       290.3035 0.000000       0.000000 513.8697 9.632716 ?        ?        0.000000       9.632716 
1 1 1 3   16 16 o 256.1451 6.027871 1925.181       90.55252 1897.666       95.99933 2147.226       272.7082 254.2150 6.444168 269.3345 17.35698 -15.11952      18.51464 
1 1 1 3   16 17 o 164.5839 17.58350 808.1091       167.0977 808.1091       167.0977 0.000000       0.000000 164.5839 17.58350 ?        ?        0.000000       17.58350 
1 1 1 3   16 18 o 490.5595 7.187510 7064.843       206.7858 7074.251       237.9258 7035.792       418.0837 490.7952 8.265912 488.4576 14.61081 2.337585       16.78693 
1 1 1 3   16 19 o 363.8791 6.250816 3886.511       133.3965 3785.916       147.2469 4347.029       315.0513 359.0949 6.991759 383.8258 14.01931 -24.73087      15.66607 
1 1 1 3   16 20 o 401.2201 6.429504 4726.023       151.2902 4818.759       174.2168 4441.596       305.1056 405.0660 7.333542 387.9662 13.42954 17.09982       15.30142 
1 1 1 3   16 21 o 190.1275 6.272067 1062.499       69.84113 1098.181       74.60093 809.3483       198.7076 193.2737 6.591084 163.6558 21.20069 29.61795       22.20162 
1 1 1 3   16 22 o 170.9379 6.603744 859.4460       66.07870 832.0847       70.48380 1058.043       189.8924 168.1450 7.163929 188.1578 17.40541 -20.01277      18.82206 
1 1 1 3   16 23 o 113.9919 8.793381 384.4408       58.33279 387.9258       60.90673 345.8032       202.8002 114.4689 9.148588 105.5190 30.83899 8.949928       32.16738 
1 1 1 3   16 24 o 202.2512 6.328907 1202.735       74.97827 1194.594       79.70233 1265.369       221.0706 201.5273 6.753059 205.4225 18.54950 -3.895233      19.74051 
1 1 1 3   16 25 o 217.5014 6.427468 1391.085       81.89849 1385.095       87.06734 1437.085       241.2875 216.9913 6.850257 218.7710 18.99397 -1.779663      20.19151 
1 1 1 3   16 26 o 176.7846 7.111273 920.1838       73.57921 948.9182       77.93076 684.2309       223.3168 179.4962 7.418915 148.1616 26.68126 31.33461       27.69349 
1 1 1 3   16 27 o 186.3981 7.242663 1023.006       79.02475 1014.861       83.28876 1096.497       250.1859 185.6077 7.667895 189.6465 22.96107 -4.038742      24.20758 
1 1 1 3   16 28 o 66.73809 18.64240 136.6568       75.76192 116.0385       79.02386 371.0504       266.4438 62.48410 19.47196 110.1171 35.91731 -47.63298      40.85597 
1 1 1 3   16 29 o 218.4439 8.080649 1405.600       103.3445 1387.175       108.9922 1569.692       325.2632 216.9426 8.583376 226.7560 24.86563 -9.813354      26.30540 
1 1 1 3   16 30 o 237.7105 7.936862 1664.075       110.4939 1735.873       119.9399 1261.360       284.0570 242.7234 8.438449 203.0772 24.33429 39.64615       25.75587 
1 1 1 3   16 31 o 69.53057 19.95641 148.3449       85.63162 121.6967       89.76464 417.9004       285.4932 64.46668 20.83397 115.4610 37.14086 -50.99432      42.58518 
1 1 1 3   16 32 o 257.1208 7.607623 1947.171       114.5932 1981.299       123.1181 1726.021       313.4082 259.2896 8.106256 237.9031 22.73895 21.38641       24.14066 
1 1 1 3   16 33 o 186.2831 9.560754 1026.751       104.1025 989.3666       110.1221 1340.933       319.2398 182.7159 10.31849 207.1796 26.90871 -24.46375      28.81926 
1 1 1 3   16 34 o 154.2248 10.82498 707.1573       97.28926 706.1024       102.0836 717.6028       321.2352 153.9981 11.38338 146.0564 37.35697 7.941650       39.05285 
1 1 1 3   16 35 o 212.2400 8.996191 1332.217       111.7250 1368.263       118.0175 1020.970       346.7891 215.0181 9.381394 175.4677 34.92754 39.55032       36.16550 
1 1 1 3   16 36 o 180.5511 10.50472 969.0981       110.7529 940.5410       117.0625 1212.792       341.9655 177.6737 11.29269 192.7875 31.31882 -15.11388      33.29255 
1 1 1 3   16 37 o 226.6837 8.493591 1520.955       112.7180 1539.833       119.7177 1373.531       334.5492 227.9658 8.971955 205.9678 28.45491 21.99800       29.83585 
1 1 1 3   16 38 o 132.2038 12.34686 527.4673       94.62350 533.6508       98.58993 455.2246       336.9871 132.8397 12.81360 113.3990 40.31979 19.44069       42.30690 
1 1 1 3   16 39 o 152.1840 11.17752 696.4523       99.06596 722.0658       103.8248 436.1035       331.0128 154.8547 11.51450 109.3931 39.82437 45.46161       41.45557 
1 1 1 3   16 40 o 157.7864 10.82157 749.0019       99.53431 743.9669       104.1264 802.3381       338.9021 157.0429 11.38282 143.4503 39.18305 13.59258       40.80294 
1 1 1 3   16 41 o 59.30964 21.40678 100.8354       95.37225 92.34148       98.91081 213.2155       359.7785 58.30929 21.67607 90.53643 38.56889 -32.22714      44.24265 
1 1 1 3   16 42 o 56.47144 21.78361 80.09024       102.1061 91.67651       105.9036 -72.83221      384.7462 58.66500 22.29534 76.18358 35.45863 -17.51857      41.88551 
1 1 1 3   16 43 o 72.53517 22.39413 176.8409       104.7981 193.3790       109.7669 6.473250       352.3075 75.48813 22.84492 76.16043 34.90179 -0.6723022     41.71361 
1 1 1 3   16 44 o 118.0201 16.54771 444.9776       111.3939 420.2137       116.8182 693.2136       369.8563 113.7431 18.11931 120.9858 42.30725 -7.242722      46.02405 
1 1 1 3   16 45 o 66.60529 23.61063 145.1656       115.4783 125.8377       122.0092 311.3418       357.7539 64.10897 24.02592 90.29840 38.46362 -26.18943      45.35080 
1 1 1 3   16 46 o 147.2319 14.79263 684.3430       126.0025 669.3135       132.9766 816.4563       394.2552 144.7967 15.92147 124.8398 43.67864 19.95692       46.48997 
1 1 1 3   16 47 o 154.3974 14.26250 751.3777       127.6885 731.1924       134.8320 926.8732       397.5648 151.4422 15.39457 131.6094 43.91589 19.83275       46.53599 
1 1 1 3   16 48 o 74.88918 24.76657 202.9135       126.5107 141.0706       131.1236 1035.778       481.1971 65.82435 24.85578 127.7972 47.75067 -61.97282      53.83249 
1 1 1 3   17 0  o 585.5507 10.60069 10065.87       364.0401 10094.22       511.2646 10036.72       518.4721 585.8575 14.89208 584.1561 15.14651 1.701416       21.24125 
1 1 1 3   17 1  o 836.2767 14.42908 20551.87       707.6834 20539.69       996.2897 20564.27       1005.403 835.1468 20.34100 835.6158 20.51555 -0.4690552     28.89021 
1 1 1 3   17 2  o 193.8904 7.800780 1104.860       88.52325 1131.588       107.0055 1046.903       157.5728 196.1323 9.329386 188.2015 14.38505 7.930862       17.14547 
1 1 1 3   17 3  o 354.3407 7.710052 3684.102       160.2245 3742.722       215.6628 3611.886       239.3703 356.9130 10.31378 350.5179 11.66043 6.395081       15.56727 
1 1 1 3   17 4  o 532.6066 7.167875 8322.787       223.8966 8557.861       320.2146 8097.931       313.1779 539.9313 10.11235 525.2189 10.16717 14.71234       14.33984 
1 1 1 3   17 5  o 415.8120 7.580583 5073.190       184.8630 5538.215       339.4749 4877.160       220.4097 433.9673 13.35418 407.6393 9.219431 26.32800       16.22751 
1 1 1 3   17 6  o 538.9807 8.613917 8525.446       272.2854 8672.656       329.6863 8209.589       482.9231 543.5173 10.34277 528.1878 15.60687 15.32953       18.72291 
1 1 1 3   17 7  o 412.2946 9.961121 4990.151       240.8609 4702.832       301.0215 5501.457       401.5646 399.8979 12.85175 432.2483 15.86753 -32.35037      20.41925 
1 1 1 3   17 8  o 923.8715 16.11947 25103.11       873.3992 24217.90       1165.102 26238.70       1319.627 906.3010 21.92002 942.5772 23.89097 -36.27625      32.42323 
1 1 1 3   17 9  o 366.4340 7.426196 3939.987       159.5926 3815.701       175.8806 4519.310       379.7236 360.5783 8.317020 391.5963 16.57148 -31.01801      18.54149 
1 1 1 3   17 10 o 448.8089 10.53264 5914.750       277.2357 6230.740       384.5873 5572.910       400.0081 460.1602 14.26791 435.0031 15.70505 25.15710       21.21843 
1 1 1 3   17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   17 12 o 827.7100 14.69976 20149.02       713.5740 19645.18       960.6177 20769.31       1065.860 816.2616 20.06646 838.6315 21.68918 -22.36993      29.54798 
1 1 1 3   17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   17 14 o 62.78875 9.376476 118.3150       33.47169 113.7106       33.83755 327.7914       228.2340 61.47968 9.706343 105.3187 33.13171 -43.83900      34.52424 
1 1 1 3   17 15 o 750.1141 10.90328 16535.58       479.6617 16080.74       561.6341 17761.58       922.0778 739.3956 12.95168 775.0912 20.30197 -35.69568      24.08145 
1 1 1 3   17 16 o 265.6156 8.557178 2074.057       133.1274 2074.057       133.1274 0.000000       0.000000 265.6156 8.557178 ?        ?        0.000000       8.557178 
1 1 1 3   17 17 o 520.3970 8.707097 7954.867       265.7411 7954.867       265.7411 0.000000       0.000000 520.3970 8.707097 ?        ?        0.000000       8.707097 
1 1 1 3   17 18 o 122.7215 8.118451 444.2952       58.10272 444.2952       58.10272 0.000000       0.000000 122.7215 8.118451 ?        ?        0.000000       8.118451 
1 1 1 3   17 19 o 406.6115 6.514352 4854.058       155.3465 4866.161       176.3073 4812.041       328.4922 407.0479 7.385403 403.7482 13.89349 3.299774       15.73446 
1 1 1 3   17 20 o 147.5072 7.200455 640.6125       62.10258 646.2789       65.42323 589.0057       197.4384 148.1298 7.555722 138.2795 25.27691 9.850281       26.38202 
1 1 1 3   17 21 o 29.32105 13.50312 -41.48175      53.63468 -32.42150      55.88711 -147.1341      190.8451 31.20134 14.14390 54.85598 25.33725 -23.65464      29.01769 
1 1 1 3   17 22 o 342.7553 6.116279 3449.992       122.9481 3479.981       136.9070 3325.016       279.4842 344.1845 6.782405 335.1212 14.25272 9.063324       15.78420 
1 1 1 3   17 23 o 195.7460 6.294051 1126.623       72.16205 1119.721       76.52827 1181.991       216.7387 195.1100 6.697866 198.4338 18.84998 -3.323807      20.00458 
1 1 1 3   17 24 o 112.6412 9.246926 376.0076       60.54916 391.3118       63.49035 222.2128       201.2679 114.8920 9.507575 89.28938 31.21039 25.60260       32.62640 
1 1 1 3   17 25 o 165.7144 7.321784 808.9138       70.98298 794.8969       74.35857 952.8661       238.2951 164.2256 7.742194 176.4708 23.61694 -12.24519      24.85360 
1 1 1 3   17 26 o 355.8231 6.419863 3720.252       133.9709 3669.661       147.2695 3963.031       322.6123 353.3144 7.107240 365.2725 15.09211 -11.95810      16.68187 
1 1 1 3   17 27 o 202.4018 7.530130 1206.296       89.22974 1197.250       94.26356 1284.269       276.7545 201.5879 7.988949 205.3124 23.40146 -3.724457      24.72755 
1 1 1 3   17 28 o 551.4814 8.163684 8947.218       264.0387 8895.121       300.0117 9126.216       556.1069 549.6073 9.307546 553.6733 17.14660 -4.065979      19.50990 
1 1 1 3   17 29 o 126.2824 13.02130 476.4404       95.05684 474.3672       100.0536 495.6546       304.6008 125.8656 13.77916 124.7137 38.11961 1.151909       40.53357 
1 1 1 3   17 30 o 157.1261 9.970731 730.6714       91.40712 707.4625       97.28249 905.5885       267.0689 154.4754 10.80619 170.3818 27.67580 -15.90645      29.71066 
1 1 1 3   17 31 o 104.1132 15.46353 329.0230       91.55653 352.5852       97.58881 155.9152       264.5153 107.7455 15.92266 87.79884 34.71147 19.94665       38.18923 
1 1 1 3   17 32 o 42.08888 18.57324 -24.12307      89.66946 20.81884       94.09520 -468.4405      295.8614 48.58072 20.14560 57.39365 27.87993 -8.812931      34.39674 
1 1 1 3   17 33 o 68.34039 21.05990 141.9568       92.73392 153.8608       97.32339 24.59561       305.5851 70.88444 21.52355 81.61322 35.17039 -10.72878      41.23372 
1 1 1 3   17 34 o 136.7177 12.72350 559.9047       100.8482 589.0004       106.0910 287.1616       324.8188 140.1777 13.05482 102.7101 39.04348 37.46758       41.16821 
1 1 1 3   17 35 o 262.3206 8.007327 2031.256       123.0443 2034.259       130.8059 2008.180       362.5981 262.4023 8.511070 253.8828 24.66279 8.519470       26.09007 
1 1 1 3   17 36 o 155.7823 11.42271 724.9197       103.6353 741.6243       109.2615 575.1343       327.1775 157.4489 11.92109 128.2955 39.56133 29.15346       41.31841 
1 1 1 3   17 37 o 143.2534 12.05723 616.7536       100.3591 649.5759       106.3055 347.7466       304.3358 146.9234 12.45436 103.8044 38.12289 43.11900       40.10568 
1 1 1 3   17 38 o 86.43155 19.28642 239.4876       95.27939 213.1309       99.11810 560.1243       345.7113 81.13828 20.74987 121.8444 40.95627 -40.70615      45.91267 
1 1 1 3   17 39 o 249.7737 8.048259 1851.853       117.7421 1859.476       124.3001 1785.274       367.3434 250.1189 8.486018 230.8695 27.68163 19.24945       28.95316 
1 1 1 3   17 40 o 179.0959 10.35200 962.9390       108.2694 958.4152       113.4672 1008.949       361.8659 178.4520 10.89363 161.3453 38.73354 17.10661       40.23628 
1 1 1 3   17 41 o 29.33387 14.59715 -234.0723      98.83443 -212.2934      102.5820 -515.9126      369.0247 31.18389 15.40289 60.87003 29.89972 -29.68614      33.63394 
1 1 1 3   17 42 o 157.2557 12.12415 754.6987       110.9543 718.8699       116.9040 1080.056       352.2845 152.9266 13.16250 164.5395 37.36243 -11.61293      39.61316 
1 1 1 3   17 43 o 38.64870 18.11210 -83.72893      103.2292 -113.7548      107.3093 288.7413       377.9511 37.48464 17.83375 91.75154 39.31989 -54.26690      43.17518 
1 1 1 3   17 44 o 51.18914 21.53464 36.56488       109.8393 53.90507       114.6282 -158.0529      384.0218 53.98847 22.29735 70.40009 33.56186 -16.41162      40.29356 
1 1 1 3   17 45 o 57.54827 22.74096 85.56098       113.4834 122.1242       118.6485 -307.1756      388.8574 63.11788 23.68474 65.25546 31.75891 -2.137581      39.61812 
1 1 1 3   17 46 o 53.64336 22.44714 50.78995       118.3678 45.47556       123.9894 105.4417       397.6125 53.84283 22.77725 79.33246 36.61747 -25.48963      43.12357 
1 1 1 3   17 47 o 107.1537 21.07350 395.6992       127.7111 392.1693       133.2552 435.4913       447.4102 105.8202 22.18204 93.97462 41.47790 11.84554       47.03679 
1 1 1 3   17 48 o 105.8981 20.92333 387.9124       125.3377 364.3583       129.6540 724.1094       489.8354 101.4229 22.39637 106.2049 45.11478 -4.781982      50.36805 
1 1 1 3   18 0  o 551.6901 10.36507 8935.594       335.3650 9050.286       470.0559 8816.687       478.6154 554.7228 14.46084 547.4594 14.92071 7.263428       20.77843 
1 1 1 3   18 1  o 235.1763 12.76678 1629.507       175.4260 1552.285       216.8155 1775.887       298.5124 229.1766 16.23643 244.6111 21.01164 -15.43448      26.55392 
1 1 1 3   18 2  o 470.7444 9.359132 6504.462       258.3873 6602.669       356.8943 6396.283       374.5764 473.9084 12.85274 466.3546 13.71025 7.553772       18.79266 
1 1 1 3   18 3  o 406.8680 7.286030 4857.183       173.8581 5012.998       212.9354 4545.585       301.1209 413.2870 8.785077 393.1265 13.07866 20.16052       15.75528 
1 1 1 3   18 4  o 290.9857 6.402926 2484.074       109.2699 2780.854       146.2611 2109.194       164.3836 307.7283 8.111289 267.8230 10.48577 39.90527       13.25686 
1 1 1 3   18 5  o 487.8796 8.458944 6985.579       242.0356 7827.368       454.6943 6652.755       285.9072 515.7637 15.04814 476.0244 10.24107 39.73932       18.20236 
1 1 1 3   18 6  o 643.0916 9.756695 12140.92       367.9816 12277.34       444.7820 11845.00       655.1026 646.5336 11.73021 634.1615 17.63115 12.37207       21.17676 
1 1 1 3   18 7  o 343.4759 7.353955 3461.759       148.1384 3393.122       162.7023 3794.480       358.2241 340.0281 8.158835 358.6875 17.07801 -18.65933      18.92684 
1 1 1 3   18 8  o 1133.917 15.83524 37821.77       1053.068 38393.06       1314.107 36796.50       1760.433 1141.493 19.62940 1115.157 26.91739 26.33569       33.31454 
1 1 1 3   18 9  o 703.9304 10.43628 14551.08       430.8499 14695.59       524.9029 14252.66       754.3031 707.1817 12.65603 695.3763 18.51237 11.80542       22.42505 
1 1 1 3   18 10 o 775.6423 13.87051 17687.93       630.9637 16900.29       828.0488 18778.42       974.3251 757.3808 18.64194 797.6201 20.84633 -40.23926      27.96590 
1 1 1 3   18 11 o 155.3490 15.80528 717.4864       141.9966 524.6987       171.1148 1143.843       254.4687 131.3844 23.04721 195.5114 22.60891 -64.12698      32.28524 
1 1 1 3   18 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 14 o 168.1068 14.50189 838.1256       141.5786 659.6496       170.5488 1233.759       253.9249 148.0827 20.16093 203.0912 21.65237 -55.00847      29.58527 
1 1 1 3   18 15 o 145.3600 6.337526 621.2982       53.89771 621.2982       53.89771 0.000000       0.000000 145.3600 6.337526 ?        ?        0.000000       6.337526 
1 1 1 3   18 16 o 321.7008 7.264806 3038.487       137.0650 3038.487       137.0650 0.000000       0.000000 321.7008 7.264806 ?        ?        0.000000       7.264806 
1 1 1 3   18 17 o 489.0807 7.836724 7025.430       224.7841 6851.820       259.0690 7554.229       452.1398 482.8606 9.148359 505.8056 15.25933 -22.94504      17.79156 
1 1 1 3   18 18 o 392.2878 6.472685 4518.115       148.9154 4521.266       169.1377 4507.251       314.0620 392.3556 7.350386 390.7506 13.72588 1.604950       15.57010 
1 1 1 3   18 19 f 343.0924 6.194579 3456.062       124.6446 3687.825       145.5072 2817.190       241.5846 354.3487 7.001696 308.7784 13.37219 45.57028       15.09434 
1 1 1 3   18 20 o 428.4571 6.728202 5391.827       169.0662 5510.603       195.3460 5037.319       337.4848 433.0434 7.691703 412.8029 13.96003 20.24051       15.93878 
1 1 1 3   18 21 o 331.4292 6.158614 3225.818       119.7083 3219.017       132.5374 3255.932       278.9030 331.0241 6.826973 331.5882 14.37596 -0.5640869     15.91464 
1 1 1 3   18 22 o 154.7229 7.444852 705.2402       67.35734 735.9192       71.25765 447.7849       206.4247 158.0340 7.711586 119.1132 29.66292 38.92080       30.64894 
1 1 1 3   18 23 o 51.36378 16.54391 76.29225       56.63344 99.38284       58.74883 -227.1322      212.9644 57.24920 16.55997 54.31156 25.62673 2.937634       30.51167 
1 1 1 3   18 24 o 124.8673 8.944102 461.2894       65.06539 443.0737       67.59731 690.8770       239.9829 122.2936 9.499310 148.3459 28.62078 -26.05235      30.15603 
1 1 1 3   18 25 o 201.9398 6.946090 1200.071       82.14209 1190.469       86.48405 1288.555       262.5403 201.0871 7.345676 206.0723 22.06646 -4.985260      23.25699 
1 1 1 3   18 26 o 345.4937 6.719257 3508.064       136.1482 3594.758       150.5249 3118.151       319.2255 349.6615 7.340234 323.3997 16.88944 26.26181       18.41554 
1 1 1 3   18 27 o 129.3341 10.88529 496.7673       81.80085 472.2020       85.94052 733.4852       266.7798 125.9351 11.77234 152.1775 30.94697 -26.24245      33.11047 
1 1 1 3   18 28 o 273.8370 9.768559 2212.006       156.6306 2099.876       175.0417 2662.497       350.8519 266.5423 11.22271 297.6967 20.21544 -31.15442      23.12171 
1 1 1 3   18 29 o 258.1045 7.587021 1961.023       114.7217 1981.775       123.0721 1823.477       316.8495 259.3984 8.099800 245.2926 22.26751 14.10580       23.69491 
1 1 1 3   18 30 o 244.7431 7.973577 1764.735       114.2968 1834.990       122.9146 1315.769       310.7223 249.5069 8.411856 206.3213 26.27419 43.18558       27.58790 
1 1 1 3   18 31 o 397.8888 7.193389 4657.702       167.8594 4715.311       188.0615 4431.947       372.2811 400.1838 8.012903 385.0986 16.52190 15.08514       18.36246 
1 1 1 3   18 32 o 45.86211 19.73929 -4.289143      96.02924 32.38629       102.0956 -285.6808      282.7972 51.73920 21.17052 62.16211 29.39119 -10.42291      36.22200 
1 1 1 3   18 33 o 250.6430 7.870036 1853.001       115.5432 1866.837       123.0863 1750.390       335.2088 251.4845 8.357028 237.7224 24.38879 13.76204       25.78087 
1 1 1 3   18 34 f 313.3682 7.447144 2893.249       136.8659 2925.117       147.1894 2689.675       372.0123 314.8807 7.976818 296.3394 21.55243 18.54132       22.98123 
1 1 1 3   18 35 o 200.2059 9.938072 1189.506       116.3242 1169.342       122.8536 1364.226       361.6266 198.3354 10.60029 204.6015 31.11617 -6.266174      32.87220 
1 1 1 3   18 36 o 143.9545 12.00341 621.7134       100.4184 651.3589       106.2130 372.0409       308.2358 147.2552 12.41413 107.0051 38.50194 40.25007       40.45380 
1 1 1 3   18 37 o 251.0853 7.903006 1866.624       116.2313 1861.995       124.0443 1899.940       332.7633 250.6006 8.452128 244.4119 23.50412 6.188690       24.97763 
1 1 1 3   18 38 o 126.1375 14.02551 486.9643       102.0036 466.6991       106.2149 727.4293       365.8774 123.0797 15.02573 135.8080 41.82821 -12.72837      44.44516 
1 1 1 3   18 39 o 39.06575 18.06634 -67.43878      97.47021 -47.70831      101.2069 -319.9300      362.0467 41.67625 18.94789 66.87831 32.07259 -25.20206      37.25149 
1 1 1 3   18 40 o 50.79929 20.88731 39.53098       99.99944 55.04346       104.0808 -146.7066      360.6316 53.55365 21.57160 72.40438 33.90606 -18.85073      40.18650 
1 1 1 3   18 41 o 181.1615 15.65387 1022.261       164.6875 989.6803       181.7839 1171.441       388.9818 176.7628 17.77645 169.5947 39.79696 7.168091       43.58670 
1 1 1 3   18 42 o 80.69473 21.88022 221.0555       106.1335 198.4811       110.2754 504.7485       390.9261 76.39227 22.84865 106.9387 42.22336 -30.54647      48.00909 
1 1 1 3   18 43 o 238.0166 9.058778 1700.170       126.2217 1763.429       132.6048 1090.136       411.7892 242.2285 9.351901 152.9207 43.72187 89.30780       44.71085 
1 1 1 3   18 44 o 110.4422 18.49055 400.7015       115.5365 397.1269       120.4254 442.0639       409.6449 109.3042 19.50128 98.57834 41.53573 10.72588       45.88591 
1 1 1 3   18 45 o 137.4767 14.83908 597.5402       117.7495 568.9629       122.8613 919.6824       412.5040 133.3306 16.03348 131.6169 44.73637 1.713730       47.52279 
1 1 1 3   18 46 o 168.9671 13.18787 889.8771       129.6511 860.8825       136.7046 1149.296       408.9078 165.3817 14.23266 150.4343 43.74053 14.94740       45.99785 
1 1 1 3   18 47 o 142.0840 16.50000 653.3204       134.9387 626.1491       140.9164 953.3534       468.2646 138.0273 17.82354 123.4789 46.89252 14.54848       50.16560 
1 1 1 3   19 0  o 694.0010 12.49548 14149.84       508.5851 13350.74       655.4991 15358.43       806.1425 673.6405 16.59180 721.8921 19.05764 -48.25159      25.26819 
1 1 1 3   19 1  o 608.8657 11.28207 10887.45       402.8663 10270.93       514.8108 11861.50       647.0864 590.8581 14.86822 634.6157 17.40248 -43.75757      22.88909 
1 1 1 3   19 2  o 578.9875 10.82877 9844.045       367.7044 9803.685       502.2194 9890.678       539.8416 577.2511 14.84700 579.6686 15.89447 -2.417480      21.75012 
1 1 1 3   19 3  o 117.6682 11.79608 410.7634       80.30769 350.7018       92.80505 589.8091       160.2342 108.1855 15.03245 140.0786 20.07772 -31.89311      25.08166 
1 1 1 3   19 4  o 58.61421 18.64727 99.12811       72.11591 150.4190       82.59224 -65.45310      147.9481 70.38655 19.39049 52.37049 23.43752 18.01606       30.41889 
1 1 1 3   19 5  o 289.3757 7.208649 2457.142       122.3394 2485.507       135.0816 2327.716       288.5484 290.9135 7.924768 280.6468 17.61998 10.26678       19.32008 
1 1 1 3   19 6  o 653.2658 9.787009 12529.72       374.9648 12868.45       463.8717 11891.13       636.9154 661.8350 11.95082 635.3612 17.10826 26.47375       20.86899 
1 1 1 3   19 7  o 714.3023 10.50618 14983.95       440.1262 15143.83       538.3633 14661.74       764.2522 717.8481 12.78770 705.2502 18.49345 12.59790       22.48406 
1 1 1 3   19 8  o 1028.444 14.41263 31105.11       869.3098 31295.83       1069.182 30733.11       1493.201 1030.844 17.68512 1019.346 24.97733 11.49750       30.60442 
1 1 1 3   19 9  o 481.1057 10.50707 6798.358       296.4644 6951.856       365.8908 6504.979       505.8436 486.1442 12.84448 469.4708 18.40771 16.67343       22.44603 
1 1 1 3   19 10 o 511.5226 8.196136 7680.854       245.8807 7460.208       281.0408 8400.877       507.6869 504.0298 9.507418 533.8937 16.23287 -29.86392      18.81215 
1 1 1 3   19 11 o 695.1240 10.27214 14194.80       418.7681 13515.99       473.6711 16624.30       896.1135 678.0891 11.91076 750.0049 20.39161 -71.91583      23.61534 
1 1 1 3   19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 14 o 533.3732 16.09710 8397.675       502.9583 0.000000       0.000000 8397.675       502.9583 ?        ?        533.3732 16.09710 0.000000       16.09710 
1 1 1 3   19 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 16 o 295.8003 5.532621 2567.888       95.97983 2528.814       101.9477 2872.622       284.7038 293.5235 5.922216 311.5798 15.63013 -18.05630      16.71447 
1 1 1 3   19 17 o 55.81023 13.37401 95.50189       43.20243 97.71856       44.21716 48.86236       202.8235 56.45094 13.53184 71.71857 29.64364 -15.26763      32.58613 
1 1 1 3   19 18 o 202.1296 7.065675 1201.500       83.63067 1201.500       83.63067 0.000000       0.000000 202.1296 7.065675 ?        ?        0.000000       7.065675 
1 1 1 3   19 19 o 74.37047 12.78624 167.7001       53.75921 179.1431       55.81059 20.56843       200.1250 76.91943 12.82289 68.61961 28.97835 8.299820       31.68866 
1 1 1 3   19 20 o 644.7176 8.757978 12225.30       331.1493 12403.15       392.4055 11785.27       617.2319 649.0164 10.30929 630.3115 16.71191 18.70490       19.63592 
1 1 1 3   19 21 o 219.9929 6.413954 1422.849       82.66489 1477.747       89.37791 1098.029       217.4072 224.1643 6.806388 190.9884 19.69153 33.17589       20.83467 
1 1 1 3   19 22 f 172.5391 7.070575 876.4229       71.39563 873.0992       75.43839 904.9625       221.0610 172.1696 7.489027 172.3607 22.39794 -0.1910706     23.61680 
1 1 1 3   19 23 o 417.6526 6.734319 5126.181       164.9527 5062.282       182.9007 5404.667       381.8288 414.9308 7.516041 426.6667 15.28380 -11.73590      17.03190 
1 1 1 3   19 24 o 282.5754 6.464029 2346.310       107.1244 2309.576       115.0294 2586.352       294.0478 280.3050 6.997252 294.3882 17.10494 -14.08316      18.48082 
1 1 1 3   19 25 o 59.53354 17.88817 106.6456       67.47482 99.27587       70.39499 189.9866       236.7253 58.12109 18.41547 88.71857 33.41990 -30.59748      38.15782 
1 1 1 3   19 26 o 249.1034 7.336577 1825.981       107.0657 1800.730       114.0209 2014.217       311.3139 247.3082 7.871338 258.6125 20.69838 -11.30431      22.14454 
1 1 1 3   19 27 o 295.9576 7.298780 2575.205       126.6865 2533.349       134.8023 2891.748       370.7100 293.3799 7.841625 310.2198 20.49054 -16.83987      21.93976 
1 1 1 3   19 28 o 25.79969 12.99689 -284.9077      90.50436 -231.9452      94.60497 -856.4276      310.7745 28.92398 14.37456 49.64080 24.88016 -20.71683      28.73413 
1 1 1 3   19 29 o 103.3495 15.55338 324.2234       91.35287 331.3417       95.74051 251.8583       305.2625 104.3659 16.16397 100.1021 37.89659 4.263824       41.19982 
1 1 1 3   19 30 o 239.6077 8.204878 1692.481       115.1283 1686.859       122.9232 1732.634       328.5308 239.1173 8.780321 237.8658 23.87251 1.251480       25.43602 
1 1 1 3   19 31 o 182.2392 9.721480 983.0783       103.5262 988.6212       108.9919 931.9344       331.0719 182.6651 10.21461 168.7839 34.60853 13.88116       36.08447 
1 1 1 3   19 32 o 104.4301 16.02077 333.1593       94.99323 352.6876       100.5372 170.5991       290.0690 107.3885 16.48938 90.52289 36.16633 16.86556       39.74800 
1 1 1 3   19 33 o 365.2321 7.350741 3929.258       157.4529 3950.135       173.6958 3833.031       372.9035 366.0274 8.091427 356.4025 17.89770 9.624878       19.64177 
1 1 1 3   19 34 o 153.5267 11.68483 703.8165       104.4197 695.5432       110.4965 772.8877       319.2695 152.4273 12.46936 150.6327 36.52240 1.794647       38.59236 
1 1 1 3   19 35 o 124.4598 14.46795 470.1679       103.6395 534.9749       108.6721 -181.3063      344.5530 132.9509 14.15459 73.52625 33.99041 59.42467       36.81984 
1 1 1 3   19 36 f 97.75562 17.97442 300.0676       99.25356 309.7116       105.1729 221.5555       300.0848 99.07668 18.78744 92.26130 36.81060 6.815376       41.32781 
1 1 1 3   19 37 o 176.6534 10.12531 932.5996       104.4619 928.7064       110.0279 968.1849       332.6501 176.0894 10.70472 164.1730 35.57823 11.91638       37.15375 
1 1 1 3   19 38 o 54.82494 21.28450 68.66634       97.94689 69.03340       102.7876 65.04234       322.9713 55.61586 21.74341 80.52863 35.40337 -24.91277      41.54726 
1 1 1 3   19 39 o 126.6474 14.64254 495.5098       106.7577 526.4159       111.1233 125.1821       384.6589 130.5214 14.77647 87.34050 38.50830 43.18089       41.24601 
1 1 1 3   19 40 o 261.0091 8.694337 2032.408       132.9034 1943.300       140.0237 2842.325       422.1484 254.8581 9.384146 291.7740 24.90790 -36.91585      26.61702 
1 1 1 3   19 41 o 41.98193 19.15516 -47.85868      104.6089 -60.04667      108.9900 94.66374       372.7024 41.92075 19.28498 82.06383 36.92464 -40.14307      41.65741 
1 1 1 3   19 42 o 182.8802 16.07491 1052.889       170.6588 1094.075       190.1351 882.1826       387.0857 185.1012 17.73124 137.7571 43.12093 47.34406       46.62415 
1 1 1 3   19 43 o 145.5101 13.51908 657.6290       114.0499 660.8354       120.0205 627.7864       366.1585 145.4203 14.25575 114.2378 41.83886 31.18252       44.20086 
1 1 1 3   19 44 o 134.2196 15.25853 571.3430       117.9804 574.7974       123.0527 532.0134       415.2048 134.1739 15.94944 102.8947 42.46025 31.27920       45.35700 
1 1 1 3   19 45 o 45.36832 20.39281 -22.09022      113.3567 -2.623701      118.2540 -242.6200      398.0203 48.05859 21.26277 67.21809 32.57837 -19.15950      38.90316 
1 1 1 3   19 46 o 54.96123 23.23404 52.49501       128.8630 -13.00850      135.4413 678.1060       418.5727 49.75980 22.33501 108.9943 43.47869 -59.23447      48.87994 
1 1 1 3   19 47 o 149.1895 16.29393 719.6906       140.2505 773.3309       146.8159 159.8589       474.3036 154.5578 16.44931 81.98739 38.54884 72.57040       41.91173 
1 1 1 3   20 0  o 685.7443 12.28486 13817.12       494.0636 13910.86       693.9236 13720.75       703.5997 687.1861 17.23175 682.4051 17.59524 4.781006       24.62775 
1 1 1 3   20 1  o 432.6393 9.052868 5494.750       229.7009 5358.534       297.2506 5696.660       361.8999 426.9099 11.88389 439.9560 14.04383 -13.04608      18.39717 
1 1 1 3   20 2  o 525.2336 10.09773 8100.672       311.0474 8712.463       460.9911 7589.356       421.4397 544.1246 14.45868 507.8547 14.16347 36.26990       20.24000 
1 1 1 3   20 3  o 369.3026 8.364926 4003.122       181.1736 4116.703       242.4018 3859.371       272.7030 374.2095 11.05725 362.1497 12.86001 12.05988       16.96003 
1 1 1 3   20 4  o 492.9354 9.903338 7134.932       286.3005 7261.977       382.3840 6972.852       431.9035 496.8769 13.13353 486.6288 15.15193 10.24814       20.05169 
1 1 1 3   20 5  o 239.6110 7.255181 1686.379       101.8369 1740.549       111.4970 1413.780       250.1185 243.4003 7.820883 218.0916 19.76947 25.30875       21.26025 
1 1 1 3   20 6  o 683.9559 10.10061 13738.21       405.1596 13835.78       492.6841 13534.39       712.0815 686.1384 12.24352 677.5338 17.93620 8.604614       21.71660 
1 1 1 3   20 7  o 137.3863 8.773211 556.3974       70.31976 564.8000       73.05999 450.6440       259.1907 138.4010 9.050639 121.3478 34.68494 17.05315       35.84632 
1 1 1 3   20 8  o 155.8432 8.158434 714.9172       74.30708 715.9725       77.86340 704.1498       248.7126 155.9295 8.547094 151.4622 29.05565 4.467346       30.28669 
1 1 1 3   20 9  o 345.0677 6.899436 3494.560       139.6267 3426.307       154.1655 3806.079       329.3600 341.6465 7.694134 359.1583 15.67406 -17.51175      17.46069 
1 1 1 3   20 10 o 119.5989 9.623008 422.8811       66.92833 380.0110       72.80167 656.8721       170.0842 113.1661 11.11233 147.7747 20.14950 -34.60867      23.01056 
1 1 1 3   20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20 13 o 421.0428 10.04275 5210.825       247.9872 5189.323       324.9680 5240.806       383.7237 419.6022 13.22192 421.2701 15.55802 -1.667847      20.41742 
1 1 1 3   20 14 o 445.8824 9.804694 5844.391       256.3922 5942.160       348.2325 5728.649       378.8914 448.9459 13.24035 440.5262 14.68588 8.419678       19.77326 
1 1 1 3   20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20 16 o 369.9735 9.011439 4024.024       195.5309 3722.440       242.8828 4579.438       329.6105 355.3467 11.67034 393.6725 14.30005 -38.32571      18.45774 
1 1 1 3   20 17 o 148.4347 5.902159 647.8754       51.27789 651.9120       52.95837 587.2825       205.1816 148.8847 6.077820 137.7286 26.36167 11.15614       27.05323 
1 1 1 3   20 18 f 107.0165 8.251154 338.6600       51.38680 330.1204       53.06748 467.1086       205.8141 105.6068 8.643689 121.9563 29.16880 -16.34949      30.42256 
1 1 1 3   20 19 o 421.2418 7.328287 5214.478       181.0441 5333.746       214.6678 4920.666       336.9294 425.8615 8.595043 407.7888 14.10938 18.07266       16.52118 
1 1 1 3   20 20 f 250.2826 6.572536 1841.546       96.39137 1859.777       105.5020 1749.458       237.1172 251.4599 7.161173 242.2338 16.79482 9.226074       18.25783 
1 1 1 3   20 21 o 195.2678 6.662021 1121.691       76.18172 1128.350       80.71300 1067.335       230.6109 195.8108 7.039855 187.6938 21.32752 8.116943       22.45935 
1 1 1 3   20 22 o 164.6310 7.350180 798.4142       70.78866 786.4671       73.91573 930.7176       245.9752 163.3517 7.737469 174.0157 24.80320 -10.66403      25.98205 
1 1 1 3   20 23 o 35.52302 15.45647 -10.14964      60.17685 -29.41457      62.16808 276.2150       239.6864 33.63204 15.11102 98.13226 34.07432 -64.50022      37.27469 
1 1 1 3   20 24 o 37.57564 16.20459 -5.998899      64.96284 -55.57069      67.05988 749.6335       261.8188 32.32581 14.96200 154.1179 30.04648 -121.7921      33.56564 
1 1 1 3   20 25 o 160.4053 8.860730 759.6885       83.03255 776.6201       86.46638 559.1274       297.5927 162.1547 9.129031 131.6731 37.00787 30.48160       38.11721 
1 1 1 3   20 26 o 297.7071 7.225490 2605.600       126.1558 2536.428       134.0587 3140.925       372.9417 293.5654 7.793347 323.6388 19.74245 -30.07343      21.22500 
1 1 1 3   20 27 o ?        ?        -478.8971      87.47478 -489.2958      90.94206 -350.2737      319.8415 ?        ?        65.48837 31.05031 0.000000       31.05031 
1 1 1 3   20 28 o 368.4488 7.158367 3992.085       154.6827 4013.156       170.2194 3892.214       370.5904 369.3130 7.858940 360.8638 17.56332 8.449280       19.24145 
1 1 1 3   20 29 o 310.4611 7.262810 2835.444       132.2399 2854.963       142.7224 2717.020       351.5474 311.3514 7.822307 300.1240 20.08818 11.22742       21.55745 
1 1 1 3   20 30 o 188.1079 9.409215 1046.469       103.4737 1078.843       109.3724 770.3947       319.3931 190.9346 9.800043 152.6276 36.22738 38.30701       37.52951 
1 1 1 3   20 31 o 133.8788 13.32662 537.6677       103.2481 592.1727       109.1466 73.88058       318.3840 140.5441 13.40394 86.24284 36.49215 54.30128       38.87599 
1 1 1 3   20 32 o 168.6436 10.39418 844.4581       102.3046 825.1301       107.3477 1035.786       337.7452 166.5602 11.05184 177.6517 33.64828 -11.09157      35.41680 
1 1 1 3   20 33 o 46.18899 19.76997 1.203805       95.33399 28.22821       100.2148 -256.1372      309.2489 50.61932 20.87147 66.55787 31.24145 -15.93855      37.57188 
1 1 1 3   20 34 o 95.76834 19.17399 288.0070       103.9328 252.2781       109.6996 601.2770       324.8293 89.02161 21.29762 131.1521 39.21178 -42.13046      44.62234 
1 1 1 3   20 35 o 71.83064 21.19437 162.8820       95.39932 183.6055       100.1556 -39.89438      313.2942 75.90936 21.51619 76.30644 34.13108 -0.3970871     40.34696 
1 1 1 3   20 36 f 112.7578 14.94115 390.9736       96.37612 374.2921       101.3493 548.5447       311.4876 109.8430 16.21980 121.9698 38.74866 -12.12678      42.00643 
1 1 1 3   20 37 o 125.8351 14.61219 486.8224       105.8341 465.3005       111.6400 677.7411       332.5098 122.4689 15.91972 132.3036 39.69980 -9.834755      42.77279 
1 1 1 3   20 38 o 124.5844 14.44919 478.5598       103.6186 504.3024       109.0579 239.6330       332.2482 127.7672 14.82929 91.71535 37.92775 36.05189       40.72373 
1 1 1 3   20 39 f 242.6463 8.837690 1756.534       125.5558 1753.011       132.1177 1789.386       403.4136 242.1712 9.319643 224.2007 31.55223 17.97047       32.89983 
1 1 1 3   20 40 o 112.3510 17.11300 402.2847       109.2033 431.4684       113.7373 57.98042       390.6646 116.3889 17.17822 81.96018 37.24874 34.42873       41.01902 
1 1 1 3   20 41 f 96.00227 20.40632 307.1098       111.3504 321.2744       116.4925 157.2029       378.9705 97.96958 20.91163 85.02921 37.81734 12.94038       43.21398 
1 1 1 3   20 42 o 205.1745 10.18620 1272.112       122.1874 1230.405       128.4928 1666.051       394.9013 201.3298 10.92319 208.2809 33.46176 -6.951111      35.19951 
1 1 1 3   20 43 o 235.8819 9.703891 1679.392       133.9562 1691.935       142.7369 1586.751       387.9132 236.3210 10.32363 200.2421 34.26240 36.07893       35.78393 
1 1 1 3   20 44 o 79.00872 23.33396 221.2845       115.5885 180.4576       120.3985 701.8420       413.0667 71.96758 24.16969 113.8556 43.84175 -41.88802      50.06269 
1 1 1 3   20 45 o 98.92746 22.54825 345.0058       127.9014 346.8535       135.2792 329.4389       392.6588 98.31027 23.73451 88.96815 39.07763 9.342125       45.72076 
1 1 1 3   20 46 o 128.8202 20.28328 563.0528       148.1785 487.9832       159.2785 1046.033       404.0079 116.5817 24.09274 139.9943 44.08624 -23.41262      50.23999 
1 1 1 3   21 0  o 602.7516 11.14259 10674.06       393.8900 10966.82       561.9110 10391.22       552.3025 610.1845 15.71511 593.9183 15.87045 16.26624       22.33463 
1 1 1 3   21 1  o 256.3408 8.644399 1931.306       129.7721 1895.551       156.6505 2009.519       231.6902 253.8111 10.54673 260.8735 15.20950 -7.062424      18.50844 
1 1 1 3   21 2  o 376.8157 8.610559 4168.542       190.2878 4071.158       240.8953 4330.138       310.3134 372.0850 11.05140 383.4518 13.82135 -11.36676      17.69641 
1 1 1 3   21 3  o 487.8795 9.613008 6990.190       275.0568 7186.504       382.1896 6779.257       396.1649 494.1847 13.19860 479.8494 14.09261 14.33530       19.30815 
1 1 1 3   21 4  o 381.5958 7.049675 4273.502       157.7696 4417.509       190.5793 3959.876       281.2486 387.9065 8.377188 366.7265 13.09771 21.17993       15.54758 
1 1 1 3   21 5  f 529.8118 7.321594 8238.766       227.4981 8468.027       319.2164 8002.136       324.3058 536.9072 10.13761 521.8862 10.59567 15.02100       14.66422 
1 1 1 3   21 6  o 84.79579 14.04783 217.1716       67.41704 205.0828       70.12271 364.8163       245.0622 82.18093 15.10561 110.4981 34.26699 -28.31717      37.44872 
1 1 1 3   21 7  o 630.3931 9.477699 11672.80       350.4007 11814.95       424.8120 11370.26       619.7718 633.9779 11.42542 620.7748 17.03955 13.20313       20.51552 
1 1 1 3   21 8  o 449.2093 7.660227 5924.075       201.8091 5920.924       232.8293 5933.591       404.6619 449.0035 8.841734 448.5201 15.40654 0.4834595      17.76338 
1 1 1 3   21 9  o 252.0343 6.760291 1865.801       99.83509 1811.650       106.1026 2283.959       294.8444 248.3129 7.293689 277.5393 18.21482 -29.22641      19.62084 
1 1 1 3   21 10 o 291.4249 6.736076 2492.939       115.1288 2559.688       127.1628 2189.507       271.1256 295.2726 7.343220 271.8442 17.09243 23.42831       18.60306 
1 1 1 3   21 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 13 o 508.3920 8.201522 7593.300       244.5365 7281.021       276.8827 8700.485       521.3561 497.6711 9.486430 542.4337 16.40729 -44.76251      18.95235 
1 1 1 3   21 14 o 339.3297 9.479512 3388.270       188.4659 3474.885       245.3558 3263.615       294.3443 343.2526 12.20742 332.1216 15.15143 11.13101       19.45731 
1 1 1 3   21 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 16 o 767.2062 13.67692 17374.96       615.3907 17856.46       890.9655 16935.69       850.9973 774.8220 19.62267 754.7739 19.24044 20.04810       27.48170 
1 1 1 3   21 17 o 245.1614 10.05488 1772.202       144.2637 1672.798       177.5541 1965.305       247.4702 237.7675 12.77987 257.0418 16.50324 -19.27429      20.87300 
1 1 1 3   21 18 f 317.7056 5.675430 2963.737       105.7485 2967.873       113.9656 2938.120       283.6347 317.8938 6.112813 314.6508 15.41715 3.242981       16.58479 
1 1 1 3   21 19 o 37.72179 14.59087 27.05940       45.90103 38.07731       47.26167 -156.0699      192.6808 40.56740 15.00151 54.51085 25.27596 -13.94345      29.39251 
1 1 1 3   21 20 o 544.7723 8.487951 8731.935       271.1867 8898.629       331.1136 8392.290       472.6375 549.5189 10.27410 531.9100 15.16642 17.60895       18.31878 
1 1 1 3   21 21 f 185.1098 7.031613 1008.653       76.19817 964.0645       79.66234 1488.141       261.2342 180.9151 7.524483 222.2031 20.26899 -41.28799      21.62059 
1 1 1 3   21 22 o 105.0706 10.13748 328.3566       61.69392 307.1808       63.65151 656.8234       250.6889 101.4836 10.86336 143.8646 30.65069 -42.38101      32.51888 
1 1 1 3   21 23 o 196.5753 7.246396 1137.617       83.39838 1162.441       87.51914 892.4712       275.0291 198.6809 7.524574 168.9382 28.79011 29.74275       29.75718 
1 1 1 3   21 24 o 275.5450 6.926805 2233.072       111.8489 2136.455       117.6523 3140.562       360.5758 269.4505 7.452261 323.8426 19.06947 -54.39206      20.47391 
1 1 1 3   21 25 o 385.4930 7.085282 4368.396       160.1859 4222.686       172.3210 5295.000       434.5503 378.9172 7.754312 421.3851 17.62260 -42.46786      19.25319 
1 1 1 3   21 26 o 148.6175 10.48663 654.4783       90.81532 654.6899       95.07362 652.2728       306.8836 148.5661 10.98943 141.7620 36.64573 6.804092       38.25803 
1 1 1 3   21 27 o 371.2998 7.230202 4054.230       157.4439 4060.381       171.4433 4021.117       397.8027 371.4838 7.869191 366.4287 18.57147 5.055054       20.16987 
1 1 1 3   21 28 o 215.9201 8.434733 1375.022       106.6053 1382.912       111.7302 1294.879       356.0782 216.4820 8.818776 202.4823 30.96785 13.99965       32.19905 
1 1 1 3   21 29 o 260.6979 7.938493 2003.211       121.2327 2005.136       129.5622 1989.666       343.6602 260.7284 8.484343 254.9610 23.23803 5.767334       24.73843 
1 1 1 3   21 30 o 232.7975 8.401443 1599.593       114.5170 1551.635       121.0260 2009.816       353.9618 229.1619 9.022676 255.4487 23.90428 -26.28679      25.55041 
1 1 1 3   21 31 o 126.0171 14.22701 478.9564       103.3101 506.2480       108.9335 234.9076       325.7505 129.5081 14.59608 98.48586 38.64750 31.02223       41.31192 
1 1 1 3   21 32 o 50.10467 20.61195 28.49955       97.44332 44.18097       101.7717 -144.1801      337.7185 53.07707 21.34801 75.35691 34.39633 -22.27984      40.48265 
1 1 1 3   21 33 o 147.9451 12.45027 656.0360       107.0249 666.9211       111.8701 538.4757       367.6452 149.0517 12.92517 124.9984 42.23606 24.05331       44.16950 
1 1 1 3   21 34 o 33.73785 16.34094 -157.6470      99.71957 -123.0026      103.8711 -565.2391      356.2802 36.95396 17.57115 61.09494 29.87861 -24.14098      34.66233 
1 1 1 3   21 35 o 51.18409 20.76990 40.98690       97.29073 74.94267       102.3358 -278.1424      313.7288 56.90470 21.84508 64.54302 30.64564 -7.638325      37.63460 
1 1 1 3   21 36 o 154.8291 11.33337 721.3074       102.1982 724.8515       107.3012 686.6829       335.3850 155.0128 11.89369 133.6611 39.81557 21.35170       41.55405 
1 1 1 3   21 37 o 117.9051 14.99457 430.2628       101.3430 477.7341       105.2051 -180.9273      377.4933 124.4451 14.69808 73.47168 34.49626 50.97344       37.49701 
1 1 1 3   21 38 o 90.62490 21.12126 271.1691       110.1732 272.6858       114.7883 253.4372       392.4922 90.58475 21.85930 94.63821 40.29919 -4.053459      45.84597 
1 1 1 3   21 39 o 43.02723 19.49279 -41.25747      105.9550 -12.78857      110.2221 -387.7314      384.5197 46.61175 20.57960 65.59571 31.84560 -18.98396      37.91652 
1 1 1 3   21 40 o 177.8028 11.38446 960.0592       118.0903 915.9293       123.5986 1422.316       400.0263 173.1860 12.24788 189.2328 37.37122 -16.04672      39.32708 
1 1 1 3   21 41 o 84.51225 22.36903 245.4871       112.5871 255.9272       118.2528 144.3034       368.1421 86.00464 22.99889 82.98170 37.06589 3.022942       43.62143 
1 1 1 3   21 42 o 83.92811 22.74486 245.5657       114.7235 262.7064       120.2098 70.53493       384.1338 86.57703 23.20467 79.01529 36.29663 7.561745       43.08018 
1 1 1 3   21 43 o 109.3588 18.87636 396.6191       116.6919 414.6006       122.2880 213.5309       390.2122 111.5075 19.40385 84.61736 37.95139 26.89010       42.62413 
1 1 1 3   21 44 o 107.4209 20.09904 390.4136       121.9702 394.0326       127.1074 348.3368       433.4085 107.3303 20.94503 91.02776 40.46635 16.30250       45.56556 
1 1 1 3   21 45 o 46.50261 21.34928 -48.13023      132.6360 -64.60828      139.5415 106.1036       426.9142 46.50632 21.54548 79.26888 37.04571 -32.76257      42.85548 
1 1 1 3   21 46 o 252.5289 10.86008 1951.520       160.4643 1992.338       171.6609 1668.883       451.7060 254.4865 11.53150 185.5652 42.43151 68.92139       43.97054 
1 1 1 3   22 0  o 417.5876 9.066163 5121.409       222.0351 4790.639       278.5142 5698.223       367.7915 403.4915 11.78224 439.7429 14.28001 -36.25137      18.51324 
1 1 1 3   22 1  o 478.8314 9.606776 6735.116       269.7806 6685.018       360.8539 6798.602       406.2169 476.5368 12.92366 480.3411 14.43613 -3.804321      19.37583 
1 1 1 3   22 2  o 609.5826 11.27324 10923.00       403.0247 11294.11       577.4297 10570.49       562.7788 618.9024 15.92162 598.7092 16.04216 20.19324       22.60196 
1 1 1 3   22 3  o 354.1821 8.433799 3683.625       175.1864 3743.591       226.6896 3594.710       276.0378 356.7280 10.84798 349.2456 13.50225 7.482391       17.32020 
1 1 1 3   22 4  o 456.1424 9.272588 6111.764       248.0573 6501.317       351.0587 5723.331       350.5537 469.9250 12.74976 440.7708 13.57717 29.15421       18.62514 
1 1 1 3   22 5  o 719.3839 9.096572 15201.30       383.7859 15488.58       546.9363 14922.65       538.6686 725.5352 12.85369 712.1488 12.89735 13.38641       18.20876 
1 1 1 3   22 6  o 165.1566 8.117758 802.9079       78.38803 834.8471       82.55342 510.1549       249.9328 168.3963 8.385336 128.0300 33.05834 40.36626       34.10525 
1 1 1 3   22 7  o 262.7567 10.25240 2032.355       157.6869 2139.555       195.5475 1833.042       266.6382 269.3719 12.41132 248.4149 18.43317 20.95709       22.22213 
1 1 1 3   22 8  o 147.6807 8.083007 642.4243       69.74098 661.2412       72.79208 431.9716       243.4370 149.8148 8.317387 118.2478 33.55380 31.56705       34.56930 
1 1 1 3   22 9  o 140.1445 8.341827 578.9554       68.25246 579.0921       70.72292 577.1012       260.5078 140.1338 8.647436 135.8353 33.02546 4.298553       34.13882 
1 1 1 3   22 10 o 489.9772 8.447965 7053.223       242.7608 7155.212       272.7502 6664.442       532.5252 493.3937 9.425859 474.0584 19.19361 19.33530       21.38321 
1 1 1 3   22 11 o 429.4531 9.559544 5422.123       240.7706 5484.943       295.0886 5297.008       416.4458 431.5060 11.67116 423.0061 16.82008 8.499969       20.47269 
1 1 1 3   22 12 o 563.4290 10.36781 9339.163       342.5915 9339.163       342.5915 0.000000       0.000000 563.4290 10.36781 ?        ?        0.000000       10.36781 
1 1 1 3   22 13 o 469.1864 9.076646 6472.534       249.7591 6472.534       249.7591 0.000000       0.000000 469.1864 9.076646 ?        ?        0.000000       9.076646 
1 1 1 3   22 14 o 20.76764 9.774369 -33.64615      30.62970 -33.64615      30.62970 0.000000       0.000000 20.76764 9.774369 ?        ?        0.000000       9.774369 
1 1 1 3   22 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   22 16 o 641.9179 11.91142 12151.02       448.4290 11520.53       579.3483 13093.25       708.2427 623.5040 15.85632 663.6257 18.21458 -40.12170      24.14941 
1 1 1 3   22 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   22 18 o 313.3187 9.400402 2892.754       172.5408 2841.944       219.7965 2974.342       278.5197 310.0544 12.11068 316.5186 15.04705 -6.464264      19.31534 
1 1 1 3   22 19 o 388.3263 6.114976 4429.810       139.2650 4501.070       154.8339 4127.967       318.6639 391.3619 6.745854 373.0361 14.59386 18.32578       16.07754 
1 1 1 3   22 20 o 255.9714 6.546403 1926.640       98.19473 1917.201       105.5200 1987.630       268.2255 255.2865 7.054609 257.7471 17.85452 -2.460617      19.19770 
1 1 1 3   22 21 o 100.3652 10.11599 299.8541       58.73299 294.0186       60.38856 401.9257       252.5622 99.31163 10.52840 113.1403 34.73540 -13.82865      36.29594 
1 1 1 3   22 22 o 287.2374 6.858621 2425.042       115.5389 2350.648       123.3842 2954.860       329.2715 282.6405 7.449953 314.4429 17.92939 -31.80243      19.41558 
1 1 1 3   22 23 o 87.74519 14.52713 233.9824       72.14377 211.2051       74.82256 535.1052       272.0529 82.99726 15.95098 129.0181 35.05114 -46.02085      38.50995 
1 1 1 3   22 24 o 272.9245 7.146821 2191.244       114.2963 2171.544       120.6175 2364.551       357.7562 271.6402 7.578627 279.8609 21.97297 -8.220734      23.24321 
1 1 1 3   22 25 o 81.21962 18.29321 204.3079       85.03610 190.3231       88.02738 399.6521       328.9958 78.30038 19.29560 115.6172 39.93238 -37.31680      44.34993 
1 1 1 3   22 26 o 291.1059 7.263331 2492.137       124.0045 2475.223       131.5976 2626.145       370.4202 289.9570 7.745560 294.8102 21.57340 -4.853180      22.92172 
1 1 1 3   22 27 o 98.60957 16.74014 297.5351       93.35374 285.5278       96.92449 451.5482       347.1287 96.31260 17.81534 120.4448 41.03688 -24.13216      44.73714 
1 1 1 3   22 28 o 189.1446 9.213129 1057.446       101.8927 1026.207       106.6095 1387.228       346.3859 186.2265 9.795666 210.1447 28.86755 -23.91821      30.48427 
1 1 1 3   22 29 o 123.8696 14.15119 462.2304       100.9611 503.2323       105.3709 2.890800       352.6839 129.3180 14.12279 85.58739 37.32666 43.73058       39.90905 
1 1 1 3   22 30 o 57.37779 21.21128 80.67053       94.47433 102.5364       98.51373 -169.6788      333.3392 61.59917 21.81023 73.92576 33.90433 -12.32659      40.31364 
1 1 1 3   22 31 o 310.5387 7.565788 2841.728       137.7909 2877.161       148.4157 2620.494       370.8504 312.2513 8.111347 292.3253 21.78795 19.92599       23.24884 
1 1 1 3   22 32 o 200.1720 10.15917 1189.624       118.8747 1175.693       125.0288 1320.771       383.6261 198.8444 10.76137 199.4860 34.00891 -0.6416321     35.67090 
1 1 1 3   22 33 o 173.1004 10.58484 892.6992       106.9427 914.0223       111.8699 666.5030       364.3595 175.0669 10.95063 135.9846 41.71566 39.08228       43.12903 
1 1 1 3   22 34 o 54.41717 21.08491 64.59798       95.97564 57.46023       99.47417 160.7510       365.0995 53.95374 21.30027 92.27912 39.06348 -38.32538      44.49333 
1 1 1 3   22 35 o 110.7008 16.45300 381.6704       103.5753 380.7384       107.6578 393.2645       379.7114 110.2718 17.20854 107.1044 41.81493 3.167305       45.21750 
1 1 1 3   22 36 o 231.6395 8.679675 1596.640       117.7058 1573.804       122.9411 1847.763       407.6940 229.7929 9.140654 231.2366 30.83014 -1.443756      32.15664 
1 1 1 3   22 37 o 43.90408 19.60281 -27.09016      102.8565 -19.33718      106.6594 -130.0337      388.6551 45.49475 20.15771 75.88071 35.42427 -30.38596      40.75798 
1 1 1 3   22 38 o 107.4018 18.80617 372.0255       114.1436 384.6472       119.6338 243.8991       381.1642 108.9253 19.44054 92.41767 39.54337 16.50766       44.06374 
1 1 1 3   22 39 o 62.21758 23.27864 110.8910       114.4398 92.14307       119.7628 307.8425       388.1722 60.14892 23.48343 94.53556 40.15958 -34.38664      46.52164 
1 1 1 3   22 40 o 68.23450 23.09167 152.7536       109.8952 157.7553       114.6419 96.07848       385.9061 69.23434 23.58321 81.98019 37.16417 -12.74584      44.01526 
1 1 1 3   22 41 o 100.4722 20.58767 339.6898       117.2309 359.6205       123.9336 170.2396       361.3676 103.0607 21.21187 83.11996 36.95073 19.94072       42.60634 
1 1 1 3   22 42 o 47.69563 20.91376 2.824958       112.0342 -12.68735      117.4614 159.1504       372.8823 47.19117 21.01731 81.83695 36.86839 -34.64578      42.43826 
1 1 1 3   22 43 o 133.6664 15.82746 571.2609       121.6702 594.8688       127.6606 337.2725       401.9065 136.0821 16.32103 90.65783 39.68538 45.42423       42.91043 
1 1 1 3   22 44 o 36.08625 17.62406 -189.4113      122.7309 -174.0290      129.0890 -334.1249      395.9432 38.11670 18.49255 63.90858 31.30567 -25.79188      36.35958 
1 1 1 3   22 45 o 69.65620 25.53581 167.9173       136.4494 196.7286       141.6491 -203.0496      508.2760 73.78122 26.15002 73.34418 35.83013 0.4370346      44.35788 
1 1 1 3   23 0  o 250.5312 10.15111 1847.825       148.8421 1763.918       196.8767 1959.761       227.3951 244.3526 13.79412 257.4162 15.12912 -13.06364      20.47360 
1 1 1 3   23 1  o 355.3448 8.652975 3709.006       180.3292 3828.537       235.5103 3539.612       280.3610 360.6530 11.14786 346.4075 13.82781 14.24551       17.76184 
1 1 1 3   23 2  o 278.4894 8.319314 2279.875       135.7249 2338.856       167.6943 2167.867       231.0943 281.9026 10.15967 270.8498 14.60222 11.05276       17.78886 
1 1 1 3   23 3  o 269.7342 6.824568 2137.174       107.8730 2168.850       122.0867 2024.402       230.3570 271.6660 7.670394 261.6292 15.07675 10.03677       16.91578 
1 1 1 3   23 4  f 615.9084 11.29411 11157.56       407.9610 12299.73       632.2231 10342.67       534.0181 645.2901 16.71979 592.0264 15.39334 53.26373       22.72678 
1 1 1 3   23 5  o 260.9768 9.872000 2004.828       150.8252 1946.131       185.2533 2120.230       259.7544 256.8463 12.33427 267.4806 16.64089 -10.63434      20.71360 
1 1 1 3   23 6  o 493.9245 7.990521 7165.517       231.4655 7231.988       274.4747 7001.854       430.6835 496.0515 9.434633 487.0065 15.09725 9.044983       17.80279 
1 1 1 3   23 7  o 103.9350 10.60582 320.9900       63.74314 310.1702       66.33595 451.3386       230.2466 102.0607 11.27004 120.3163 32.05503 -18.25568      33.97850 
1 1 1 3   23 8  o 584.7089 8.939027 10047.75       306.5353 9945.319       359.7293 10319.33       585.7356 581.4664 10.54874 590.6221 16.92738 -9.155701      19.94522 
1 1 1 3   23 9  o 386.3040 7.150160 4382.609       161.9927 4431.806       185.1239 4221.821       334.6737 388.3809 8.127445 377.8674 15.13251 10.51346       17.17697 
1 1 1 3   23 10 o 343.6722 6.538371 3468.074       131.7845 3587.389       160.8988 3224.898       229.7023 349.4312 7.851284 330.6901 11.86309 18.74112       14.22587 
1 1 1 3   23 11 o 349.0401 6.427498 3577.384       131.5733 3526.741       159.0752 3687.062       234.1020 346.4463 7.829176 353.6669 11.30103 -7.220642      13.74807 
1 1 1 3   23 12 f 375.5450 7.934652 4144.815       174.7594 4144.815       174.7594 0.000000       0.000000 375.5450 7.934652 ?        ?        0.000000       7.934652 
1 1 1 3   23 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   23 14 o 390.8111 9.624907 4494.992       220.6043 4541.498       284.9895 4425.466       348.4567 392.1661 12.40666 386.3878 15.40801 5.778259       19.78212 
1 1 1 3   23 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   23 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   23 17 o 235.6507 10.10053 1639.100       139.2691 1489.430       165.0356 2009.341       259.5678 224.1963 12.60232 259.4488 17.15508 -35.25250      21.28651 
1 1 1 3   23 18 o 435.5490 9.689914 5588.021       247.5183 5171.881       307.8141 6349.425       416.3667 418.1914 12.56481 462.4490 15.37325 -44.25760      19.85475 
1 1 1 3   23 19 o 296.5500 10.06924 2594.756       174.8698 2625.657       219.7539 2541.407       288.7444 297.7944 12.61112 291.8427 16.94281 5.951660       21.12106 
1 1 1 3   23 20 o 156.5118 14.57104 732.0291       132.2118 796.6040       151.8475 529.6583       268.8128 163.0027 16.09386 128.3323 34.83214 34.67043       38.37044 
1 1 1 3   23 21 f 133.4794 8.393973 526.3393       65.37740 526.3393       65.37740 0.000000       0.000000 133.4794 8.393973 ?        ?        0.000000       8.393973 
1 1 1 3   23 22 o 135.8905 9.295941 546.3177       73.63928 553.3943       76.45092 455.3822       274.0542 136.7328 9.594555 119.7994 36.06286 16.93337       37.31736 
1 1 1 3   23 23 o 233.6470 8.243459 1608.177       112.7818 1608.177       112.7818 0.000000       0.000000 233.6470 8.243459 ?        ?        0.000000       8.243459 
1 1 1 3   23 24 o 175.8698 9.772448 914.2059       100.4001 914.2059       100.4001 0.000000       0.000000 175.8698 9.772448 ?        ?        0.000000       9.772448 
1 1 1 3   23 25 o 206.3399 8.508517 1255.570       102.7436 1211.601       108.2819 1652.710       325.4276 202.6004 9.136588 232.5512 24.21507 -29.95082      25.88140 
1 1 1 3   23 26 o 185.7748 9.390475 1019.945       101.9798 1019.945       101.9798 0.000000       0.000000 185.7748 9.390475 ?        ?        0.000000       9.390475 
1 1 1 3   23 27 o 237.4743 8.053632 1662.690       112.0031 1681.517       119.0144 1516.875       331.2142 238.7408 8.513692 221.2104 26.02763 17.53043       27.38467 
1 1 1 3   23 28 o 57.57213 20.76906 85.50092       89.76060 77.74844       92.86225 195.7727       350.2281 56.72333 21.01855 97.95125 39.52971 -41.22792      44.77027 
1 1 1 3   23 29 o 77.11629 20.33097 186.5740       93.24121 157.4082       96.65339 577.9068       354.0406 71.45306 21.39553 130.7244 41.28367 -59.27132      46.49850 
1 1 1 3   23 30 o 105.6670 15.72804 341.0969       94.50213 352.8676       98.95702 219.1256       318.5480 107.3798 16.21857 96.34554 38.09158 11.03427       41.40062 
1 1 1 3   23 31 o 230.2916 8.750226 1568.686       117.9660 1535.603       123.8189 1894.023       388.2820 227.7216 9.290624 244.2605 27.58676 -16.53889      29.10919 
1 1 1 3   23 32 o 57.07356 21.93193 72.32565       103.2225 93.15739       107.6453 -165.6675      363.8434 60.86403 22.61535 76.35447 35.16557 -15.49044      41.80995 
1 1 1 3   23 33 o 33.19866 16.04425 -144.2031      94.80279 -129.3886      98.35383 -338.3205      356.0242 35.05120 16.78466 67.69286 32.28349 -32.64165      36.38610 
1 1 1 3   23 34 o 169.3684 10.85746 859.6690       107.2797 864.9493       111.8110 798.4547       380.6976 169.7403 11.29607 143.1774 42.36277 26.56293       43.84297 
1 1 1 3   23 35 o 42.71867 19.37198 -46.77655      104.9562 -77.63765      109.0608 340.2207       386.2040 41.08327 19.03811 102.0533 41.39272 -60.97000      45.56103 
1 1 1 3   23 36 o 171.6165 11.79427 890.4678       117.9864 940.7145       123.9613 406.6032       384.6748 176.2919 12.06224 105.1121 41.76254 71.17977       43.46962 
1 1 1 3   23 37 o 74.71625 22.84186 185.0305       109.3630 215.7899       114.0018 -170.0273      387.3217 80.18546 23.02978 73.55680 34.66239 6.628654       41.61553 
1 1 1 3   23 38 o 220.6714 9.721004 1462.109       125.4991 1447.891       132.1542 1592.698       400.5222 219.2779 10.30510 205.5737 34.43760 13.70421       35.94639 
1 1 1 3   23 39 o 133.1019 15.69442 557.6902       120.1596 589.9843       126.2495 246.9658       391.6116 136.7348 16.04857 90.29122 39.35616 46.44358       42.50251 
1 1 1 3   23 40 o 58.93124 22.90754 91.85662       113.5649 80.21480       118.2766 229.3040       406.4028 57.92692 23.11061 88.50046 39.27294 -30.57354      45.56824 
1 1 1 3   23 41 o 82.09087 22.78151 235.6918       113.5411 209.6481       118.7334 514.0791       388.1917 77.25388 23.83407 103.4642 41.66559 -26.21030      48.00088 
1 1 1 3   23 42 o 51.62558 21.88499 36.74001       114.8654 49.71607       120.3803 -95.22477      383.8954 53.89809 22.60107 71.21397 33.83805 -17.31588      40.69179 
1 1 1 3   23 43 o 126.4624 17.00510 519.9667       122.9286 485.3412       128.2546 911.0825       431.0498 120.9451 18.68285 126.3003 45.51969 -5.355232      49.20458 
1 1 1 3   23 44 o 94.10516 25.07433 327.2500       140.8743 349.1981       147.1974 88.12183       485.8666 96.91254 25.54246 80.45554 38.18259 16.45699       45.93830 
1 1 1 3   23 45 o 47.72852 22.06790 -57.37879      145.3176 -91.14825      151.2370 348.8628       524.5513 46.50204 21.83389 88.66821 41.31414 -42.16617      46.72876 
1 1 1 3   24 0  o 315.2303 8.597367 2921.926       158.7955 3076.839       205.7680 2693.813       249.6937 323.2234 10.87034 301.9461 14.13954 21.27725       17.83510 
1 1 1 3   24 1  o 85.46491 14.57312 221.3591       70.42730 160.1561       79.87514 435.1339       149.2806 72.21949 18.70938 119.1740 22.17439 -46.95450      29.01283 
1 1 1 3   24 2  o 240.4346 6.976479 1698.875       98.27077 1674.029       110.1964 1795.391       217.1865 238.5960 7.885890 246.2099 15.11383 -7.613968      17.04744 
1 1 1 3   24 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   24 4  o 215.7489 6.514760 1367.856       82.33788 1358.688       98.46354 1389.173       150.1466 214.9229 7.824701 216.8988 11.84841 -1.975967      14.19897 
1 1 1 3   24 5  f 609.9322 9.166093 10936.02       327.8810 10486.14       372.9275 12468.05       688.1939 596.9964 10.65129 648.6856 18.10719 -51.68921      21.00763 
1 1 1 3   24 6  o 353.8830 7.008861 3677.819       145.4647 3817.118       167.5948 3252.365       292.8957 360.4470 7.928092 331.5463 15.10290 28.90073       17.05732 
1 1 1 3   24 7  o 129.2016 8.741249 492.9189       65.84575 462.0049       68.38798 885.6849       243.7637 124.9951 9.397848 170.3762 25.15073 -45.38110      26.84919 
1 1 1 3   24 8  o 143.2818 10.05819 606.9672       83.98347 606.9672       83.98347 0.000000       0.000000 143.2818 10.05819 ?        ?        0.000000       10.05819 
1 1 1 3   24 9  o 802.5441 11.56012 18974.38       544.1039 18292.50       626.2714 21073.56       1098.834 787.3077 13.56337 840.2202 22.31892 -52.91248      26.11703 
1 1 1 3   24 10 o 538.7781 10.97062 8549.329       346.6505 8360.595       453.7432 8813.918       537.2422 531.7233 14.56408 545.2022 16.82216 -13.47894      22.25079 
1 1 1 3   24 11 f 167.1444 8.354550 823.4236       81.63688 831.6559       89.08229 780.2594       203.9822 167.9028 9.080338 160.1710 22.32037 7.731796       24.09671 
1 1 1 3   24 12 o 154.0695 8.031057 699.7308       72.31663 704.9017       74.82343 626.4144       281.7415 154.6138 8.281833 140.2204 34.49993 14.39336       35.48005 
1 1 1 3   24 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   24 14 o 430.5375 8.632267 5453.318       217.9648 5453.318       217.9648 0.000000       0.000000 430.5375 8.632267 ?        ?        0.000000       8.632267 
1 1 1 3   24 15 o 464.1334 9.982032 6346.139       271.7141 6055.761       346.9543 6806.692       436.9489 452.4577 13.08882 478.8560 15.57950 -26.39828      20.34793 
1 1 1 3   24 16 o 286.9651 9.822342 2428.758       165.0646 2345.168       201.4161 2599.713       288.0457 281.5307 12.22798 295.3292 16.69850 -13.79849      20.69694 
1 1 1 3   24 17 o 332.4721 9.725989 3259.291       189.4403 3076.362       232.0300 3625.016       328.0808 322.4669 12.29148 349.0193 16.07119 -26.55237      20.23274 
1 1 1 3   24 18 o 219.0923 12.08597 1422.097       154.6939 1380.552       184.2352 1521.394       284.8240 215.3355 14.67607 224.0939 21.95321 -8.758423      26.40701 
1 1 1 3   24 19 o 470.4635 10.34375 6525.318       285.4004 6286.152       359.8377 6930.917       468.6038 460.7606 13.33023 482.5703 16.58213 -21.80966      21.27586 
1 1 1 3   24 20 o 331.4726 10.69427 3243.610       207.6255 3172.743       252.6724 3390.945       364.3228 327.2569 13.19197 336.7051 18.52090 -9.448242      22.73877 
1 1 1 3   24 21 o 37.12660 18.34316 -321.4440      145.8304 -292.6039      166.0016 -418.9517      305.2344 42.41257 20.66594 60.89130 29.26583 -18.47873      35.82694 
1 1 1 3   24 22 o 339.0045 6.428833 3376.987       127.8169 3414.052       136.1310 3101.060       371.4303 340.8168 6.810604 321.4836 19.79609 19.33316       20.93489 
1 1 1 3   24 23 o 129.0473 10.14576 493.9308       76.16927 484.4803       78.34806 656.7918       325.2458 127.7397 10.55212 141.8482 38.23514 -14.10847      39.66451 
1 1 1 3   24 24 o 131.0264 10.88751 510.1844       82.90864 470.1150       85.89696 1056.192       317.0811 125.5888 11.80035 182.9518 30.63381 -57.36303      32.82802 
1 1 1 3   24 25 o 40.93967 17.71905 -8.519163      78.22769 -15.53207      80.32407 120.5967       344.6564 40.64264 17.76756 93.06609 38.57104 -52.42345      42.46659 
1 1 1 3   24 26 o 189.7807 9.459290 1065.074       104.9519 1085.814       110.2423 864.4139       342.9065 191.5576 9.845959 161.6572 36.97366 29.90041       38.26218 
1 1 1 3   24 27 o 131.5363 12.10926 517.0470       92.36674 499.5432       95.54150 767.3737       361.3100 129.1328 12.78308 150.2607 40.21010 -21.12798      42.19312 
1 1 1 3   24 28 o 152.6188 10.67002 692.4998       94.90289 722.8612       99.20901 365.3531       325.6579 155.8944 10.92007 109.7785 39.56543 46.11589       41.04475 
1 1 1 3   24 29 o 52.50831 20.37782 55.69677       89.75528 74.63216       92.92089 -208.0907      346.8194 56.08125 20.97749 73.58785 34.04813 -17.50660      39.99163 
1 1 1 3   24 30 o 264.4717 7.967728 2065.178       123.4436 2059.246       129.3625 2125.585       412.8221 263.9990 8.365738 258.9420 27.60913 5.056976       28.84874 
1 1 1 3   24 31 o 383.3393 7.519253 4335.140       169.0474 4274.136       182.4658 4704.745       449.1268 380.4235 8.178311 392.1610 19.58986 -11.73749      21.22846 
1 1 1 3   24 32 o 81.71862 20.55054 213.9274       98.37937 213.7895       102.1443 215.6952       365.7264 81.59901 21.16643 96.46047 39.83203 -14.86146      45.10664 
1 1 1 3   24 33 o 87.71201 19.27563 246.3349       96.44447 224.0401       99.87428 554.3171       371.2062 83.25028 20.57537 121.0949 42.38161 -37.84466      47.11207 
1 1 1 3   24 34 o 77.55590 21.29856 196.3711       99.82389 164.8164       103.5133 615.5171       377.2648 71.62290 22.28046 124.1234 42.76625 -52.50050      48.22210 
1 1 1 3   24 35 o 114.6807 15.86626 410.3937       103.8570 427.6964       107.9533 195.2894       380.6304 116.9804 16.16692 91.38432 39.31525 25.59612       42.50951 
1 1 1 3   24 36 o 117.8791 16.82133 437.9245       112.9967 424.0094       118.2677 583.6770       382.7648 115.3625 18.07345 117.6980 42.82799 -2.335518      46.48533 
1 1 1 3   24 37 o 54.19392 21.97197 56.72701       108.7680 124.1548       113.2370 -747.2854      391.0213 64.33195 23.31116 57.37697 28.62878 6.954975       36.91906 
1 1 1 3   24 38 o 81.55524 22.65042 227.3768       112.1905 254.0325       116.8820 -84.81698      400.0047 86.09374 22.79359 75.76337 35.55249 10.33038       42.23183 
1 1 1 3   24 39 o 167.3763 12.13996 857.6982       118.3586 870.5712       123.4673 711.7266       415.7633 168.3647 12.59532 119.6020 44.44468 48.76274       46.19493 
1 1 1 3   24 40 o 90.68221 22.16858 284.4354       116.8934 274.0543       122.3572 392.9463       395.5897 88.36304 23.28709 95.96342 40.64427 -7.600388      46.84277 
1 1 1 3   24 41 o 54.21849 22.64375 52.44242       120.1006 -14.92163      126.7657 642.9780       375.3279 48.53949 21.71101 112.3057 42.12885 -63.76622      47.39418 
1 1 1 3   24 42 o 79.97220 23.55702 228.5256       117.9367 241.8723       123.6460 93.93314       392.6478 81.94374 24.11589 78.49832 36.28763 3.445419       43.57027 
1 1 1 3   24 43 o 77.99015 25.56598 223.7861       134.9183 218.5916       140.6656 283.4858       476.8710 77.06270 26.12487 87.22517 40.20340 -10.16248      47.94604 
1 1 1 3   24 44 o 70.68063 26.50274 173.8392       148.5027 161.9294       154.8403 310.4601       524.4331 69.43222 26.81415 88.07262 41.12699 -18.64040      49.09611 
1 1 1 3   25 0  o 445.9027 9.407050 5847.272       246.0051 5971.135       331.1104 5694.653       367.5423 449.9215 12.56061 438.9906 14.29490 10.93091       19.02927 
1 1 1 3   25 1  o 247.9426 8.923152 1809.716       129.5422 1806.767       155.7196 1816.342       233.4366 247.5235 10.75260 247.3061 16.18365 0.2174377      19.43010 
1 1 1 3   25 2  o 398.2829 9.706706 4666.088       226.7327 4457.591       288.6753 5001.814       366.3139 388.6538 12.68171 411.1593 15.21748 -22.50543      19.80903 
1 1 1 3   25 3  o 355.0711 8.489192 3705.938       176.7796 3859.468       229.6208 3482.514       277.0003 361.9182 10.83027 343.2541 13.78792 18.66409       17.53286 
1 1 1 3   25 4  o 261.1217 8.087103 2005.803       123.6980 2121.767       153.5939 1791.762       208.6709 268.3778 9.774687 245.8841 14.53526 22.49371       17.51623 
1 1 1 3   25 5  o 39.18242 16.22431 11.91645       60.90443 44.35616       67.52774 -129.5411      141.0123 46.55009 17.77632 45.88710 21.39401 0.6629906      27.81549 
1 1 1 3   25 6  o 213.8356 7.287212 1344.955       91.25504 1394.830       96.29813 905.8398       285.7354 217.7446 7.552278 170.8734 29.58358 46.87122       30.53237 
1 1 1 3   25 7  f 339.5656 7.234107 3387.715       144.0652 3463.660       159.8320 3058.750       332.6498 343.2830 7.938912 320.6324 17.75944 22.65051       19.45312 
1 1 1 3   25 8  f 166.1766 9.060894 814.6858       87.97216 754.3726       92.46729 1390.164       285.6252 159.7894 9.915960 214.4113 23.07717 -54.62187      25.11736 
1 1 1 3   25 9  o 206.0602 13.15731 1258.592       158.1747 1283.134       186.0778 1194.670       300.3083 207.6633 15.38796 197.4895 26.60429 10.17372       30.73398 
1 1 1 3   25 10 o 390.8299 7.252547 4488.782       166.2374 4291.542       180.8145 5566.207       422.5998 382.0492 8.069814 432.9187 16.67575 -50.86951      18.52572 
1 1 1 3   25 11 o 278.7094 6.832262 2282.360       111.6778 2192.267       118.8143 2965.448       327.1615 273.0039 7.427681 315.4212 17.75735 -42.41730      19.24822 
1 1 1 3   25 12 o 258.5415 7.794783 1967.194       118.0561 1900.737       132.8983 2215.863       257.0760 253.9882 8.935781 272.8513 16.13722 -18.86310      18.44609 
1 1 1 3   25 13 o 156.2860 7.121654 719.4171       65.10415 738.1540       71.72008 631.6849       155.1931 158.2486 7.751282 144.4422 18.76308 13.80640       20.30113 
1 1 1 3   25 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   25 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   25 16 o 256.1012 10.91400 1938.233       163.5495 1874.752       197.8235 2075.326       290.7145 251.3561 13.46873 263.0182 18.97401 -11.66216      23.26843 
1 1 1 3   25 17 o 270.4735 10.52490 2160.429       166.6339 2011.738       196.7765 2537.336       313.2909 260.5151 12.91954 291.1101 18.44501 -30.59506      22.51961 
1 1 1 3   25 18 o 55.39094 23.82428 -5.403943      139.7059 -51.44314      159.7679 144.1588       287.9634 55.27152 24.57015 89.72311 35.97102 -34.45159      43.56152 
1 1 1 3   25 19 o 358.4365 10.20384 3789.954       214.2812 3595.335       254.4407 4264.687       397.3921 348.5919 12.46575 377.9246 17.98088 -29.33270      21.87938 
1 1 1 3   25 20 o 85.17242 27.17269 217.6567       153.0448 165.5130       173.6564 399.0316       323.8758 79.72239 28.87070 115.4421 39.63045 -35.71976      49.03152 
1 1 1 3   25 21 o 161.5389 18.78233 788.7523       174.6272 851.3369       209.3244 645.4939       316.6987 167.0530 21.89188 140.8668 37.62343 26.18619       43.52904 
1 1 1 3   25 22 f 200.2338 14.29242 1194.295       166.7357 1150.407       193.3174 1321.777       329.4768 195.8680 16.99705 206.4435 27.92845 -10.57553      32.69400 
1 1 1 3   25 23 o 161.8950 17.15493 789.8177       160.4064 668.0268       181.9242 1215.234       340.0087 147.5200 21.67327 196.4518 30.49958 -48.93178      37.41597 
1 1 1 3   25 24 o 219.9784 7.727575 1425.963       99.54026 1399.094       103.4189 1764.153       366.9065 217.8395 8.109076 238.8172 26.64991 -20.97769      27.85632 
1 1 1 3   25 25 o 245.9317 8.098512 1783.455       116.6481 1797.890       123.5239 1664.518       354.5724 246.8488 8.545255 231.4054 26.61028 15.44336       27.94867 
1 1 1 3   25 26 o 219.7207 8.683324 1425.843       111.6738 1450.919       118.5258 1227.578       333.2760 221.5623 9.141139 196.3753 29.87869 25.18703       31.24574 
1 1 1 3   25 27 o 309.9180 7.724177 2830.057       140.3943 2814.470       150.5265 2934.281       389.2461 308.8357 8.318223 309.9261 21.54909 -1.090393      23.09884 
1 1 1 3   25 28 f 205.1021 9.002239 1244.465       108.0220 1176.723       112.3683 2069.677       392.1926 199.3012 9.642147 257.0030 26.39495 -57.70175      28.10096 
1 1 1 3   25 29 o 217.5530 8.989818 1400.802       114.4537 1368.655       119.5678 1752.666       395.5764 214.9198 9.509638 233.6642 29.52396 -18.74442      31.01770 
1 1 1 3   25 30 o 32.78036 15.78491 -131.1867      89.78064 -118.3966      92.66549 -327.0620      362.6371 34.41230 16.42782 69.76244 33.07259 -35.35014      36.92790 
1 1 1 3   25 31 o 211.6815 8.541600 1328.068       105.8229 1298.715       109.8848 1703.227       392.8445 209.2093 8.976724 227.0495 30.25414 -17.84024      31.55780 
1 1 1 3   25 32 o 153.9195 11.18535 711.0282       100.2813 751.7995       104.9806 285.9695       338.9664 158.2265 11.38925 98.37842 39.16513 59.84808       40.78753 
1 1 1 3   25 33 o 87.45477 19.27969 246.4897       96.21962 247.4501       99.62538 233.1587       371.1678 87.42523 19.88128 94.65987 39.68930 -7.234642      44.39038 
1 1 1 3   25 34 o 129.3180 13.56302 512.1358       101.3359 477.4293       104.8915 998.1815       392.5305 124.3738 14.66147 157.4689 41.80853 -33.09512      44.30476 
1 1 1 3   25 35 o 44.36317 19.73542 -22.74056      103.2696 -16.32858      107.3017 -103.2799      380.2896 45.86530 20.27509 75.91032 35.30479 -30.04502      40.71250 
1 1 1 3   25 36 o 104.0614 19.40882 352.5860       114.0950 338.3241       119.5105 499.3394       383.3633 101.1579 20.83836 109.0673 42.17271 -7.909470      47.04015 
1 1 1 3   25 37 o 218.7537 10.15261 1441.677       129.8965 1479.828       137.3295 1117.595       400.2574 221.3652 10.60889 160.3359 42.05301 61.02928       43.37055 
1 1 1 3   25 38 o 249.9477 8.924493 1872.533       130.6128 1855.919       137.1766 2033.780       427.3563 248.5231 9.428686 233.1838 32.10020 15.33936       33.45628 
1 1 1 3   25 39 o 168.5027 12.01984 870.5574       118.0035 829.5921       123.0814 1336.517       415.1053 163.9297 12.90621 173.5743 41.36667 -9.644562      43.33326 
1 1 1 3   25 40 o 124.2207 16.68707 497.0623       118.4973 513.2531       124.0920 329.5530       399.1440 125.8712 17.26437 91.14011 39.72940 34.73106       43.31840 
1 1 1 3   25 41 o 54.52226 23.00621 49.13359       125.9706 52.37145       133.0525 21.12392       391.3343 55.81440 23.60238 75.65827 35.39419 -19.84388      42.54199 
1 1 1 3   25 42 o 67.26617 25.69157 147.2999       141.0675 215.3517       149.2368 -423.7292      432.3002 76.59447 26.86763 64.25464 31.71576 12.33983       41.56631 
1 1 1 3   25 43 o 50.18327 22.96301 -38.94074      151.7477 -61.86731      158.9090 198.3642       511.2489 49.70770 23.01589 84.41655 39.79324 -34.70885      45.96991 
1 1 1 3   26 0  o 881.5331 21.88310 23201.25       1131.353 23201.25       1131.353 0.000000       0.000000 881.5331 21.88310 ?        ?        0.000000       21.88310 
1 1 1 3   26 1  o 135.2169 17.51213 551.0779       135.6153 513.0236       170.0697 617.5291       224.7380 129.0756 23.32457 140.6784 28.22201 -11.60278      36.61308 
1 1 1 3   26 2  o 416.4178 9.327051 5101.768       227.7845 5076.538       286.1648 5145.397       376.3113 414.8149 11.77473 416.7216 15.42414 -1.906647      19.40485 
1 1 1 3   26 3  o 176.7137 8.321051 920.1810       85.99584 983.9150       98.34602 713.1530       177.2497 182.6473 9.210795 153.4960 20.17781 29.15125       22.18068 
1 1 1 3   26 4  o 396.9668 8.354095 4633.557       194.4930 4633.557       194.4930 0.000000       0.000000 396.9668 8.354095 ?        ?        0.000000       8.354095 
1 1 1 3   26 5  o 311.7196 7.002882 2854.943       128.0240 2706.149       136.9632 3884.479       360.2740 303.3284 7.705347 361.4870 17.04175 -58.15860      18.70277 
1 1 1 3   26 6  o 60.76249 18.28162 110.7607       70.44144 123.8898       72.79575 -82.42297      279.2380 63.85532 18.42252 73.03979 32.47485 -9.184471      37.33638 
1 1 1 3   26 7  o 199.8239 8.723844 1176.819       101.9901 1162.281       109.0540 1278.260       288.0652 198.5034 9.394145 204.9077 24.45279 -6.404327      26.19521 
1 1 1 3   26 8  o 440.4513 7.807241 5703.634       201.6722 5689.522       228.1109 5754.144       431.5658 439.7434 8.844969 440.0245 16.75381 -0.2811584     18.94528 
1 1 1 3   26 9  o 144.2430 10.92811 616.8120       91.75868 616.8120       91.75868 0.000000       0.000000 144.2430 10.92811 ?        ?        0.000000       10.92811 
1 1 1 3   26 10 o 204.4534 9.389121 1233.323       112.2817 1233.323       112.2817 0.000000       0.000000 204.4534 9.389121 ?        ?        0.000000       9.389121 
1 1 1 3   26 11 o 328.5608 7.004667 3172.951       134.9751 3057.615       144.4586 3965.864       378.7687 322.4631 7.638585 364.6180 17.76621 -42.15491      19.33872 
1 1 1 3   26 12 o 232.7021 6.835884 1592.857       93.19112 1598.603       101.3706 1561.505       236.8078 233.0565 7.425998 228.3445 17.82407 4.711960       19.30914 
1 1 1 3   26 13 o 33.93278 14.88628 -13.75371      56.82487 -40.27298      62.47611 113.2599       136.7283 32.45931 14.80759 68.67207 25.49338 -36.21276      29.48181 
1 1 1 3   26 14 o 310.7753 6.895735 2838.920       125.6833 2750.033       135.0767 3412.157       343.0259 305.8008 7.531667 338.1357 17.35565 -32.33481      18.91942 
1 1 1 3   26 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   26 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   26 17 f 396.8954 10.71115 4649.102       249.0953 4841.102       318.8572 4348.424       399.0218 404.2651 13.46747 381.6457 17.87699 22.61948       22.38212 
1 1 1 3   26 18 o 87.22551 27.45632 230.2003       156.7164 205.3769       178.8821 312.1577       325.0355 85.26266 29.44529 107.3867 39.40477 -22.12399      49.19106 
1 1 1 3   26 19 o 329.5402 11.27442 3208.478       217.5770 2931.777       253.6735 3978.529       423.1843 314.4027 13.79101 364.2307 19.88626 -49.82791      24.20032 
1 1 1 3   26 20 o 282.4296 11.80990 2359.970       195.1855 2368.878       228.6299 2336.028       374.8268 282.4973 13.84179 277.5020 23.24445 4.995361       27.05364 
1 1 1 3   26 21 o 230.6541 13.61536 1581.199       183.3600 1536.500       215.0835 1700.093       350.7823 226.7066 16.28530 235.2642 25.84854 -8.557602      30.55091 
1 1 1 3   26 22 o 110.9629 24.77161 387.8449       157.1209 392.1317       182.7586 375.6999       307.6167 110.9919 28.06408 111.6330 38.61044 -0.6411209     47.73215 
1 1 1 3   26 23 o 139.0062 22.87029 599.1132       179.9689 623.1438       208.1775 528.0275       358.0495 140.7442 26.18385 127.6259 41.63687 13.11835       49.18559 
1 1 1 3   26 24 o 168.6891 17.92162 862.1910       174.5923 802.2775       200.8927 1047.126       352.9486 161.4276 21.77427 179.0148 34.87222 -17.58723      41.11193 
1 1 1 3   26 25 o 236.1799 7.801982 1645.061       107.9200 1603.830       112.2783 2145.440       391.1403 233.1241 8.225061 262.8958 25.69644 -29.77173      26.98071 
1 1 1 3   26 26 o 140.0271 10.31906 583.0131       84.14748 571.8668       86.41039 787.5043       370.1162 138.6003 10.71355 151.1521 40.80655 -12.55180      42.18951 
1 1 1 3   26 27 o 169.3454 9.414790 849.9484       93.13689 853.5687       96.35203 798.4015       363.5726 169.6468 9.724966 151.9096 40.19251 17.73724       41.35230 
1 1 1 3   26 28 o 154.3109 11.22414 710.2449       100.8836 719.1949       104.8056 597.3285       372.2625 155.1969 11.59853 130.8484 42.43855 24.34854       43.99496 
1 1 1 3   26 29 o 42.18431 18.61377 -21.32401      90.04305 -24.17175      93.46795 15.41194       335.7054 42.72998 18.90446 82.56686 36.20332 -39.83688      40.84187 
1 1 1 3   26 30 o 137.2498 11.40011 565.0547       90.93617 591.2493       94.16950 203.1337       350.0354 140.3771 11.54017 94.60821 39.00785 45.76885       40.67908 
1 1 1 3   26 31 o 147.5170 10.65596 651.9716       91.56893 680.1164       94.78172 257.8028       354.7042 150.6398 10.80005 97.13113 39.56766 53.50871       41.01513 
1 1 1 3   26 32 o 49.28929 20.13020 36.68888       92.09415 63.25904       95.78651 -288.1532      334.9218 53.77419 20.99959 65.66446 31.31502 -11.89027      37.70428 
1 1 1 3   26 33 o 263.5499 8.126995 2063.665       125.4654 2128.000       132.4502 1501.496       391.5277 267.4879 8.453635 204.4704 33.83197 63.01749       34.87214 
1 1 1 3   26 34 o 52.44800 21.29060 48.86220       102.2736 70.39427       106.1752 -228.0721      380.7750 56.00557 22.03807 71.25923 33.81347 -15.25366      40.36121 
1 1 1 3   26 35 f 49.38251 21.02493 19.35070       106.8041 5.389472       111.3133 181.2744       379.0885 48.70476 21.10805 88.32621 38.60636 -39.62145      44.00001 
1 1 1 3   26 36 o 200.2279 10.75869 1212.017       125.8742 1208.778       132.7714 1240.786       395.6880 199.5998 11.38938 173.1659 39.79739 26.43394       41.39505 
1 1 1 3   26 37 o 69.42238 23.62535 159.0894       115.0482 194.8482       120.5879 -203.5010      383.9908 75.42905 24.12585 69.81543 33.35946 5.613617       41.16929 
1 1 1 3   26 38 o 64.92493 23.34003 133.7787       113.2425 153.2112       118.2670 -80.45423      392.6837 68.21863 23.91879 73.84447 34.82964 -5.625847      42.25177 
1 1 1 3   26 39 o 32.12843 15.92842 -238.9196      113.4715 -214.2826      118.0663 -537.0978      410.7430 34.17766 16.81284 61.48069 30.44948 -27.30302      34.78279 
1 1 1 3   26 40 o 128.6620 16.99098 536.1828       125.0785 580.3217       131.1046 88.88197       417.3560 133.8396 17.09204 79.66988 37.03022 54.16977       40.78449 
1 1 1 3   26 41 o 67.42078 25.96760 146.0733       144.9379 146.0733       144.9379 0.000000       0.000000 67.42078 25.96760 ?        ?        0.000000       25.96760 
1 1 1 3   26 42 o 86.33931 26.54583 282.7653       147.4417 257.1933       154.2803 552.1874       500.7774 82.15115 27.35596 97.92417 43.51699 -15.77303      51.40114 
1 1 1 3   26 43 o 152.6498 18.23171 772.5619       159.9971 781.4424       167.2488 676.7651       549.3098 152.7142 19.08962 100.5410 45.06579 52.17326       48.94220 
1 1 1 3   27 0  o 231.8022 11.11702 1587.576       150.6916 1587.576       150.6916 0.000000       0.000000 231.8022 11.11702 ?        ?        0.000000       11.11702 
1 1 1 3   27 1  o 426.8324 9.345410 5362.473       233.9410 5270.479       292.4071 5526.077       389.9468 422.5211 11.81178 431.6351 15.42898 -9.113983      19.43120 
1 1 1 3   27 2  o 179.2491 10.27750 949.5561       107.5897 930.6658       117.3488 1049.167       269.4714 177.3000 11.34499 184.9731 25.51935 -7.673111      27.92752 
1 1 1 3   27 3  o 345.5735 8.886426 3516.295       179.9524 3738.853       230.5349 3169.193       287.9018 355.9535 11.05656 326.7917 15.06234 29.16180       18.68479 
1 1 1 3   27 4  o 239.2885 6.768090 1683.811       94.88597 1676.545       111.3218 1703.114       181.4402 238.6414 7.965133 239.7621 12.95143 -1.120743      15.20470 
1 1 1 3   27 5  o 406.5982 7.494422 4860.216       178.7122 4791.170       199.9440 5134.509       398.5161 403.5611 8.447898 415.6151 16.38157 -12.05399      18.43157 
1 1 1 3   27 6  o 172.0128 8.489609 872.6348       85.37978 870.1026       88.64682 905.1011       317.4188 171.7220 8.831775 168.8505 33.23764 2.871536       34.39100 
1 1 1 3   27 7  o 161.6720 9.725751 772.6268       91.79010 727.7018       96.08438 1241.788       310.5056 156.7765 10.51085 200.7331 27.06437 -43.95667      29.03374 
1 1 1 3   27 8  o 240.7801 9.451203 1709.936       133.2030 1709.936       133.2030 0.000000       0.000000 240.7801 9.451203 ?        ?        0.000000       9.451203 
1 1 1 3   27 9  o 155.1772 16.61452 723.4164       148.8542 688.8619       172.4110 824.5852       295.0094 150.5676 20.02031 161.1014 32.34859 -10.53381      38.04267 
1 1 1 3   27 10 o 34.05488 15.73452 -59.08800      73.68400 -59.08800      73.68400 0.000000       0.000000 34.05488 15.73452 ?        ?        0.000000       15.73452 
1 1 1 3   27 11 o 328.5987 6.722925 3173.526       129.5611 3253.134       155.9771 2996.363       232.6860 332.5375 7.997781 318.1684 12.49418 14.36914       14.83473 
1 1 1 3   27 12 o 108.6747 10.48226 351.4235       65.98076 301.1641       72.12505 609.2739       163.3659 100.1813 12.55043 141.3335 20.29007 -41.15220      23.85792 
1 1 1 3   27 13 o 248.4079 6.754192 1815.000       98.30737 1753.316       108.1214 2109.254       236.1509 244.0520 7.563157 266.2217 15.18803 -22.16965      16.96695 
1 1 1 3   27 14 o 271.5862 7.514600 2170.720       119.5767 2170.720       119.5767 0.000000       0.000000 271.5862 7.514600 ?        ?        0.000000       7.514600 
1 1 1 3   27 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   27 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   27 17 o 276.7332 12.49685 2267.711       202.2974 2392.968       239.6899 1957.549       377.1751 283.8302 14.44679 253.0220 25.77718 30.80821       29.54950 
1 1 1 3   27 18 o 270.1967 13.33827 2165.494       210.7103 2413.765       253.0680 1604.376       380.4531 284.8262 15.20490 227.3719 29.20436 57.45424       32.92543 
1 1 1 3   27 19 o 65.44930 26.74080 54.91907       162.5915 115.5788       181.4590 -192.1162      366.1912 74.63439 28.97183 78.22886 35.74899 -3.594467      46.01475 
1 1 1 3   27 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   27 21 o 100.2550 27.49192 318.3636       166.4590 301.5171       186.7174 383.6061       367.4467 98.14360 29.81489 115.1094 41.95079 -16.96581      51.46646 
1 1 1 3   27 22 o 352.1579 11.65539 3673.190       240.3897 3603.767       291.4052 3821.063       425.2946 347.9320 14.31135 355.5357 20.48323 -7.603729      24.98754 
1 1 1 3   27 23 o 149.0666 20.94395 684.1334       178.0573 872.6360       204.1663 85.26807       363.9067 168.6078 21.10820 91.76733 38.92983 76.84051       44.28417 
1 1 1 3   27 24 o 109.6894 26.97840 386.6547       172.3309 229.7526       193.6733 983.1746       377.6311 88.36475 30.63244 170.6720 38.63067 -82.30721      49.30188 
1 1 1 3   27 25 o 133.3524 24.57295 562.2967       185.1012 584.9038       211.6357 488.7183       381.8047 134.8916 27.68048 122.4837 42.97385 12.40797       51.11713 
1 1 1 3   27 26 o 281.8162 7.986009 2343.837       131.8585 2418.596       140.5198 1792.872       381.4772 286.1868 8.381184 237.9861 27.85827 48.20073       29.09171 
1 1 1 3   27 27 o 173.4526 17.24963 915.8813       173.1502 833.5589       196.9372 1196.244       363.4366 163.9753 20.95689 189.6185 33.92682 -25.64325      39.87756 
1 1 1 3   27 28 o 33.05349 15.55870 -80.55642      77.65211 -77.32217      79.29861 -156.0232      383.0507 33.80595 15.85282 78.78948 36.21218 -44.98353      39.53016 
1 1 1 3   27 29 o 23.92409 12.02743 -224.8182      75.42987 -219.1590      77.18510 -345.0204      355.7226 24.63709 12.35546 67.48669 32.20860 -42.84961      34.49712 
1 1 1 3   27 30 o 89.55958 16.40845 251.3626       83.00961 265.5885       85.40759 8.642264       352.7839 92.11739 16.41078 81.53233 36.36046 10.58505       39.89231 
1 1 1 3   27 31 o 156.8030 10.74865 738.3124       98.24807 732.7512       102.3512 803.5314       350.5051 156.0313 11.26062 144.0642 40.04470 11.96706       41.59783 
1 1 1 3   27 32 o 90.96483 19.83143 268.8935       102.8070 248.8389       106.9132 515.0324       374.5550 86.97037 21.16442 113.9917 42.21737 -27.02132      47.22541 
1 1 1 3   27 33 o 101.1062 18.32558 327.7362       104.6639 294.2820       109.3831 690.5411       360.2144 94.83871 20.28004 128.7920 41.74416 -33.95326      46.40965 
1 1 1 3   27 34 o 169.8964 11.68561 875.4492       115.7265 890.0150       120.9821 718.6432       396.9498 171.0893 12.13601 126.8962 43.86132 44.19308       45.50932 
1 1 1 3   27 35 o 52.71596 21.88912 43.33669       111.2920 82.72311       115.7247 -441.4436      405.9993 58.36529 22.99520 65.29910 31.92628 -6.933807      39.34548 
1 1 1 3   27 36 o 84.74924 23.17301 248.1064       118.4629 174.6500       124.0110 1014.376       400.5309 72.22778 24.52912 148.8604 43.29228 -76.63257      49.75841 
1 1 1 3   27 37 o 45.34232 20.57905 -39.27665      118.7471 -42.96913      125.2917 -6.675979      372.2853 46.29377 21.06089 75.54947 35.06664 -29.25570      40.90514 
1 1 1 3   27 38 o 45.86256 20.72794 -31.11265      118.9633 -11.41536      125.0616 -218.4335      385.6682 48.69638 21.68721 67.91412 32.70631 -19.21774      39.24331 
1 1 1 3   27 39 f 54.31657 22.75938 51.87460       121.9318 61.28194       127.5274 -48.32284      416.1963 56.11411 23.37651 74.64866 35.40124 -18.53455      42.42298 
1 1 1 3   27 40 o 64.05478 24.74756 125.4363       131.9321 95.92554       138.1231 432.6701       445.6671 60.97050 24.74517 94.55653 41.57867 -33.58603      48.38501 
1 1 1 3   27 41 o 68.02051 25.71687 154.6840       140.4661 134.1520       146.3305 395.5521       501.1975 65.77489 25.87511 91.46136 41.80619 -25.68647      49.16584 
1 1 1 3   27 42 o 59.08176 25.18460 67.79953       153.5684 55.14961       159.6747 223.7656       560.6701 58.57796 25.33403 85.36567 40.65616 -26.78771      47.90341 
1 1 1 3   28 0  o 192.7930 14.02990 1105.941       157.5483 922.6901       190.7189 1499.679       279.5598 174.9218 18.89012 222.6514 21.68350 -47.72960      28.75780 
1 1 1 3   28 1  o 201.4893 13.61352 1206.472       159.9248 1344.907       192.2774 895.7459       288.0668 212.3729 15.54524 168.8558 30.19744 43.51711       33.96381 
1 1 1 3   28 2  o 92.22298 16.02962 259.5276       83.55350 272.4737       87.74931 133.7821       273.4758 94.46617 16.43515 87.40627 35.05026 7.059898       38.71221 
1 1 1 3   28 3  o 182.7557 8.056173 984.3914       86.13542 1049.928       97.67340 755.1176       182.6880 188.6560 8.852543 157.7023 20.21689 30.95367       22.07012 
1 1 1 3   28 4  o 224.5059 7.129293 1483.167       93.75058 1459.100       109.0221 1551.474       183.6718 222.5284 8.368604 228.5572 13.76623 -6.028793      16.11032 
1 1 1 3   28 5  o 314.9431 7.293029 2916.234       134.7071 2935.564       148.7166 2827.896       317.9220 315.7955 8.036297 307.6923 17.69246 8.103210       19.43207 
1 1 1 3   28 6  o 376.0602 7.502616 4158.653       165.4705 4312.176       188.3729 3639.949       346.2522 382.8043 8.390564 349.4334 16.94628 33.37091       18.90973 
1 1 1 3   28 7  o 493.1461 9.499727 7163.884       274.7497 7163.884       274.7497 0.000000       0.000000 493.1461 9.499727 ?        ?        0.000000       9.499727 
1 1 1 3   28 8  o 214.9762 7.841997 1361.215       98.70501 1352.856       104.4432 1431.073       301.9438 214.2537 8.327776 216.4971 24.19378 -2.243347      25.58693 
1 1 1 3   28 9  o 697.8437 12.93607 14402.03       529.4330 13370.13       662.3729 16227.59       881.0147 670.1976 16.86531 735.8522 20.43444 -65.65466      26.49537 
1 1 1 3   28 10 o 143.7432 10.19074 612.1132       85.35297 612.1132       85.35297 0.000000       0.000000 143.7432 10.19074 ?        ?        0.000000       10.19074 
1 1 1 3   28 11 o 166.6440 10.19877 821.6456       99.19795 863.3952       106.7298 556.7708       268.8312 170.7639 10.71105 131.4794 34.45427 39.28453       36.08079 
1 1 1 3   28 12 o 148.7855 10.55850 656.0341       91.53406 723.7213       99.76078 295.6696       230.1853 156.2486 10.95606 99.72348 33.41863 56.52516       35.16874 
1 1 1 3   28 13 o 48.53045 17.98220 54.92531       67.96948 13.48326       73.62712 293.9164       176.8105 42.79713 17.79005 97.23740 28.89532 -54.44027      33.93266 
1 1 1 3   28 14 o 454.9911 7.555826 6087.898       201.6208 5870.794       242.2177 6577.703       363.8167 446.4870 9.250103 471.3918 13.17274 -24.90475      16.09613 
1 1 1 3   28 15 f 360.5732 8.320473 3825.762       175.9511 3825.762       175.9511 0.000000       0.000000 360.5732 8.320473 ?        ?        0.000000       8.320473 
1 1 1 3   28 16 o 79.80514 10.50311 190.9966       47.96643 190.9966       47.96643 0.000000       0.000000 79.80514 10.50311 ?        ?        0.000000       10.50311 
1 1 1 3   28 17 o 215.9292 15.53162 1391.666       195.3743 1253.231       225.0115 1815.793       393.8485 203.9369 19.03281 242.3208 28.24205 -38.38388      34.05674 
1 1 1 3   28 18 o 236.0061 13.51188 1655.297       186.2390 1574.736       210.0860 1950.949       402.4623 229.6372 15.69360 251.2162 27.78020 -21.57904      31.90656 
1 1 1 3   28 19 o 192.3459 16.63622 1110.689       185.8240 989.0352       211.1664 1528.235       391.2126 180.3796 20.31403 220.1759 31.16676 -39.79628      37.20250 
1 1 1 3   28 20 o 127.1015 24.20538 506.0628       173.8442 429.1621       194.5688 810.4512       387.0992 115.7597 28.78158 155.0391 41.67871 -39.27946      50.65071 
1 1 1 3   28 21 o 139.1995 23.74085 605.0494       186.8669 496.1695       214.6877 945.3780       379.5616 123.9376 29.88608 167.8127 39.26685 -43.87506      49.34636 
1 1 1 3   28 22 o 213.6923 14.70564 1366.964       183.1755 1150.760       204.8202 2230.778       409.4032 194.9234 18.12436 267.7726 26.41319 -72.84924      32.03356 
1 1 1 3   28 23 o 216.1763 14.78186 1400.516       186.2802 1241.978       210.5929 1970.657       399.3625 202.4796 17.91900 250.4346 27.65067 -47.95497      32.94920 
1 1 1 3   28 24 o 182.9596 18.46732 1019.172       195.4478 956.2050       222.7359 1229.953       407.5214 175.7826 22.09225 191.2369 37.67600 -15.45435      43.67549 
1 1 1 3   28 25 o 226.4721 14.66207 1539.315       193.6958 1436.361       220.7289 1884.095       403.9321 217.7025 17.43361 243.1372 28.89165 -25.43471      33.74401 
1 1 1 3   28 26 o 246.7002 13.81567 1824.179       199.0918 1639.700       224.1944 2512.358       433.0141 232.7607 16.53103 281.9660 26.49561 -49.20537      31.22967 
1 1 1 3   28 27 o 41.85334 20.62224 -359.8015      180.0419 -428.2680      202.2458 -98.34256      395.2232 43.42886 21.48335 82.43992 37.46625 -39.01106      43.18859 
1 1 1 3   28 28 o 84.41262 28.59226 224.7910       168.4884 307.2125       189.1165 -92.39857      370.9955 96.08374 30.14970 79.21555 36.11671 16.86819       47.04701 
1 1 1 3   28 29 o 80.10698 16.51720 202.4330       75.02010 211.1671       76.60116 -2.619005      371.1575 81.85296 16.52698 82.40598 36.98214 -0.5530167     40.50703 
1 1 1 3   28 30 o 58.40942 19.55992 102.7304       78.85752 107.8040       81.28967 21.72989       324.8054 59.62285 19.85711 78.50143 34.95643 -18.87859      40.20270 
1 1 1 3   28 31 o 55.24518 20.97611 76.28976       93.68829 91.32498       96.86005 -142.0704      369.1275 58.07940 21.47621 74.03920 34.55079 -15.95980      40.68151 
1 1 1 3   28 32 o 98.45215 19.38913 314.1341       107.9671 345.0032       112.8226 -21.51879      372.0311 103.3185 19.32985 78.81603 36.02324 24.50244       40.88174 
1 1 1 3   28 33 o 276.4710 8.589530 2279.767       139.1049 2268.217       147.2352 2375.766       424.4824 275.4711 9.126096 262.1761 28.04179 13.29504       29.48945 
1 1 1 3   28 34 o 127.4153 15.28591 508.8526       111.9479 492.0149       117.6916 668.8373       362.7802 124.6154 16.50937 122.0985 41.94224 2.516914       45.07450 
1 1 1 3   28 35 o 44.09609 20.30553 -63.36609      121.2450 -123.7167      126.7856 582.2151       414.6718 41.07666 19.49725 111.0629 43.59803 -69.98628      47.75909 
1 1 1 3   28 36 o 114.7252 18.10351 427.9106       117.7723 427.0901       123.2391 436.5475       399.8586 114.0012 19.10823 99.81017 41.47123 14.19101       45.66167 
1 1 1 3   28 37 o 48.66240 21.51472 -3.867623      120.8665 1.675712       127.1486 -55.84319      389.3369 50.25357 22.14891 73.73647 34.74872 -23.48290      41.20737 
1 1 1 3   28 38 o 38.53778 18.44316 -129.3776      118.3628 -98.06410      123.7726 -464.2802      404.7788 41.60111 19.60096 62.12540 30.66942 -20.52429      36.39795 
1 1 1 3   28 39 o 52.06510 22.24673 34.87079       120.3408 83.47212       125.2366 -550.5470      434.6504 58.23444 23.58891 62.09561 30.85185 -3.861172      38.83649 
1 1 1 3   28 40 o 45.05940 20.99981 -75.09813      135.6489 -76.56573      140.9975 -56.84752      497.2164 45.89033 21.39465 76.56956 36.94009 -30.67923      42.68842 
1 1 1 3   28 41 o 84.27412 26.75006 270.8697       148.4761 342.9951       154.2106 -645.1561      549.5714 94.85364 26.63359 66.47485 33.28386 28.37878       42.62820 
1 1 1 3   29 0  o 252.3038 8.732034 1876.171       129.0133 1876.171       129.0133 0.000000       0.000000 252.3038 8.732034 ?        ?        0.000000       8.732034 
1 1 1 3   29 1  o 363.6478 9.388306 3897.817       200.0577 3680.593       232.6540 4514.202       391.9066 352.9641 11.25343 389.0526 17.21872 -36.08859      20.56998 
1 1 1 3   29 2  o 301.6274 9.038508 2681.375       159.7084 2512.277       182.7574 3227.792       328.5250 291.6544 10.70269 328.9023 17.09005 -37.24796      20.16475 
1 1 1 3   29 3  o 182.4914 10.05783 984.5554       107.2296 1095.058       127.7293 720.7629       197.3490 192.2798 11.37764 153.2726 22.63441 39.00725       25.33312 
1 1 1 3   29 4  o 391.6440 7.722408 4511.584       177.3760 4242.687       193.1257 5961.396       448.4387 379.6421 8.673916 447.2194 17.12914 -67.57724      19.20011 
1 1 1 3   29 5  o 278.1891 7.783973 2278.170       126.8717 2252.789       137.5053 2423.497       329.0272 276.5324 8.488629 283.9618 19.88266 -7.429413      21.61890 
1 1 1 3   29 6  o 246.2860 12.09983 1796.276       174.2360 1966.867       214.5526 1465.879       298.5886 257.2602 14.27635 219.3212 23.58371 37.93900       27.56820 
1 1 1 3   29 7  o 227.0487 7.704002 1517.995       102.4369 1515.890       109.3042 1533.191       293.6276 226.8244 8.230332 224.7033 22.58717 2.121063       24.03994 
1 1 1 3   29 8  o 240.1105 9.327167 1700.635       131.0945 1789.885       145.7633 1322.953       299.8530 246.2134 10.11607 207.7276 25.12273 38.48589       27.08296 
1 1 1 3   29 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   29 10 o 43.08460 18.81705 -16.88441      89.90572 -16.88441      89.90572 0.000000       0.000000 43.08460 18.81705 ?        ?        0.000000       18.81705 
1 1 1 3   29 11 o 371.5842 7.406199 4060.065       161.3999 4082.096       190.8724 4004.789       302.3418 372.3897 8.739669 367.4716 14.05482 4.918152       16.55052 
1 1 1 3   29 12 o 303.4837 8.931125 2713.948       158.7886 2558.293       175.3990 3420.965       373.8189 294.4305 10.17295 338.0222 18.93235 -43.59177      21.49239 
1 1 1 3   29 13 o 300.1300 8.772549 2654.027       154.2479 2790.513       183.0624 2319.920       286.4167 307.5094 10.16453 278.5454 17.62317 28.96399       20.34439 
1 1 1 3   29 14 o 361.9511 7.206172 3852.041       152.9696 3912.164       186.4470 3728.230       267.5580 364.5369 8.720942 354.8130 12.87920 9.723877       15.55406 
1 1 1 3   29 15 o 233.0570 7.561687 1599.306       103.2182 1569.026       106.6819 2043.020       408.3823 230.7953 7.893197 257.5010 27.46539 -26.70569      28.57709 
1 1 1 3   29 16 f 272.3864 7.225677 2183.596       115.3269 2168.142       120.8223 2341.977       386.7997 271.3679 7.599168 277.1862 24.03101 -5.818298      25.20390 
1 1 1 3   29 17 o 371.3723 11.03094 4077.228       239.9889 3969.391       286.2531 4332.332       440.2770 365.7311 13.36808 379.4380 19.85402 -13.70685      23.93507 
1 1 1 3   29 18 o 205.7775 15.99898 1268.974       191.5655 1221.440       218.3189 1428.050       399.3817 201.0649 18.72961 211.3718 33.31961 -10.30690      38.22296 
1 1 1 3   29 19 o 111.0204 26.64684 393.1489       171.2906 343.0608       191.7612 590.8924       381.0171 103.6527 29.89918 133.3509 42.90786 -29.69820      52.29766 
1 1 1 3   29 20 o 239.4644 14.79563 1714.924       206.7754 1677.134       239.5762 1825.283       409.4127 235.9114 17.43916 240.3299 29.67689 -4.418442      34.42154 
1 1 1 3   29 21 o 233.0528 13.81345 1621.882       187.9552 1361.205       209.0045 2724.000       429.7523 212.4580 16.91334 296.7567 24.92268 -84.29868      30.11978 
1 1 1 3   29 22 o 87.42168 28.35038 235.7109       166.1320 78.59798       183.5759 946.5493       390.4767 70.18054 28.51121 165.8480 40.50107 -95.66745      49.53005 
1 1 1 3   29 23 o 130.7862 25.24928 544.5925       186.6557 609.8819       212.0698 320.1129       393.2293 137.8062 27.20577 108.9328 42.54580 28.87340       50.50049 
1 1 1 3   29 24 o 116.3953 26.63698 438.7231       177.8893 485.0499       199.2921 257.1246       394.5750 121.8642 28.41062 103.8458 41.94025 18.01831       50.65716 
1 1 1 3   29 25 o 349.0648 11.97128 3630.426       244.7114 3699.709       289.5711 3457.322       457.7157 351.3224 14.08250 333.1597 23.57803 18.16275       27.46344 
1 1 1 3   29 26 o 49.59508 23.43188 -177.8791      179.1226 -156.7526      200.0584 -263.2666      402.1980 54.40545 25.40422 76.02045 35.66571 -21.61500      43.78833 
1 1 1 3   29 27 o 153.3859 20.42521 739.5457       179.1767 682.2446       202.2083 948.9756       386.5779 145.0952 24.64325 159.5449 41.07176 -14.44965      47.89759 
1 1 1 3   29 28 o 75.54805 27.11770 171.3240       152.8011 231.1101       166.9340 -137.5840      379.4540 84.38496 28.46047 76.69857 35.53162 7.686394       45.52466 
1 1 1 3   29 29 o 62.66303 25.56713 73.07433       148.3819 -29.28690      161.9203 609.5453       370.6864 55.24726 24.63619 123.4548 42.39721 -68.20758      49.03534 
1 1 1 3   29 30 o 116.2870 26.40913 462.5456       175.9878 358.0547       196.7921 879.8368       393.2673 100.3246 30.63500 145.5644 43.05323 -45.23981      52.84018 
1 1 1 3   29 31 o 61.96221 26.60857 37.19600       173.7486 45.14963       194.3578 5.546076       387.7089 65.25700 28.08451 81.14213 36.96660 -15.88513      46.42488 
1 1 1 3   29 32 o 119.1733 14.99188 442.8429       102.4684 454.7652       106.3376 287.8950       383.3528 120.6030 15.38384 94.66898 40.04940 25.93401       42.90242 
1 1 1 3   29 33 o 73.88554 22.05607 183.6850       102.8339 211.4497       106.7782 -171.4418      381.8806 78.95351 22.15982 71.43518 33.88694 7.518326       40.48929 
1 1 1 3   29 34 o 158.6576 12.19296 770.3602       112.5847 857.8247       118.3357 -64.44541      365.5885 167.5023 12.12818 73.60180 34.35926 93.90047       36.43695 
1 1 1 3   29 35 o 152.3896 13.61415 720.3777       120.3934 725.6121       125.0377 653.8158       445.8821 152.6294 14.12893 112.9488 44.93436 39.68060       47.10333 
1 1 1 3   29 36 o 91.01102 22.76353 289.5909       121.1814 342.6914       126.2352 -334.0269      432.6039 99.59247 22.18149 68.09201 33.21881 31.50046       39.94381 
1 1 1 3   29 37 o 96.76884 22.35436 327.2336       124.3131 309.1245       130.6179 501.3499       405.0185 92.98956 23.84062 100.3008 41.71178 -7.311249      48.04422 
1 1 1 3   29 38 o 144.8074 15.07250 665.8497       126.1338 639.6770       131.8481 948.3108       433.1410 141.0690 16.23197 129.5150 45.74414 11.55400       48.53867 
1 1 1 3   29 39 o 163.7469 14.47085 848.3792       137.5401 809.7073       143.2987 1300.733       490.0991 159.0545 15.56078 146.2517 48.75858 12.80278       51.18142 
1 1 1 3   29 40 o 53.15504 23.39359 18.64349       141.3596 57.14622       146.7837 -473.6291      524.8495 57.39744 24.54852 68.17759 33.87847 -10.78015      41.83755 
1 1 1 3   30 0  o 443.2466 10.71026 5795.140       278.4171 5909.875       362.8625 5630.906       434.1364 446.5183 13.87329 434.6467 17.06413 11.87158       21.99210 
1 1 1 3   30 1  o 321.2792 7.805585 3036.284       147.0749 3106.545       163.1851 2732.219       339.4737 324.7587 8.575300 301.7978 19.28044 22.96094       21.10144 
1 1 1 3   30 2  o 268.3885 7.724827 2120.465       121.4650 2247.131       143.2959 1797.142       228.9400 276.1284 8.860019 245.4564 15.99070 30.67201       18.28120 
1 1 1 3   30 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   30 4  o 249.3280 8.671336 1832.084       126.6036 1825.763       134.7664 1879.573       369.3845 248.8108 9.251647 247.8014 25.79408 1.009384       27.40306 
1 1 1 3   30 5  o 191.7377 16.88754 1101.736       187.9612 1258.406       226.7631 757.7742       335.9962 204.4185 19.13727 152.4697 37.77161 51.94884       42.34300 
1 1 1 3   30 6  o 151.5099 36.98800 746.0444       325.7520 0.000000       0.000000 746.0444       325.7520 ?        ?        151.5099 36.98800 0.000000       36.98800 
1 1 1 3   30 7  o 139.4534 11.95852 578.5104       96.86078 589.8905       100.6349 435.2692       357.0340 140.7684 12.31354 120.2219 41.59555 20.54657       43.37987 
1 1 1 3   30 8  f 426.1871 9.821209 5352.217       245.4798 5165.933       290.6710 5815.523       458.4028 418.0739 11.86691 441.4946 17.74012 -23.42062      21.34328 
1 1 1 3   30 9  o 322.1743 11.77828 3069.052       222.1733 2815.317       266.0881 3653.168       403.7247 307.8123 14.78292 348.9867 19.80672 -41.17435      24.71520 
1 1 1 3   30 10 o 280.3736 7.927649 2314.377       130.2254 2172.945       137.6885 3513.954       400.9943 271.5592 8.656407 342.1030 20.07444 -70.54385      21.86131 
1 1 1 3   30 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   30 12 o 60.44719 19.53830 106.4770       78.94480 36.29545       84.40553 596.8187       223.1048 48.75931 19.49959 137.3824 28.62056 -88.62305      34.63193 
1 1 1 3   30 13 o 197.8956 8.416363 1154.939       97.45816 1154.939       97.45816 0.000000       0.000000 197.8956 8.416363 ?        ?        0.000000       8.416363 
1 1 1 3   30 14 o 192.4211 8.376579 1092.187       94.30358 1137.722       97.13557 345.2534       393.4095 196.3882 8.453385 113.7799 43.03355 82.60833       43.85597 
1 1 1 3   30 15 o 231.5656 7.333000 1579.119       99.46227 1526.922       102.8329 2336.415       391.6900 227.6507 7.713302 276.3530 24.41825 -48.70235      25.60754 
1 1 1 3   30 16 o 105.7249 8.926009 331.7441       54.82931 339.2965       55.35522 -60.06218      398.7057 106.9325 8.907520 87.78191 38.92962 19.15063       39.93569 
1 1 1 3   30 17 o 110.9635 26.26124 392.1771       168.2256 340.8452       187.7186 601.5453       379.1132 103.3176 29.51350 134.3418 42.75655 -31.02418      51.95353 
1 1 1 3   30 18 o 135.0736 23.68510 571.2942       180.7899 760.9190       202.7848 -163.3413      399.1385 156.7011 22.72800 82.24229 37.48315 74.45882       43.83547 
1 1 1 3   30 19 o 218.0519 17.03720 1433.681       216.1471 1472.443       252.2523 1326.597       419.2679 219.9693 19.76389 199.9578 37.11842 20.01152       42.05221 
1 1 1 3   30 20 o 99.74646 29.19580 319.6199       181.6454 270.7662       203.3052 512.9442       404.4293 93.84774 31.40620 125.2429 44.20498 -31.39513      54.22573 
1 1 1 3   30 21 o 93.98412 30.34456 277.2599       190.4529 155.4533       217.5558 676.8010       394.0178 81.75883 31.72687 139.3235 43.48951 -57.56463      53.83244 
1 1 1 3   30 22 o 298.0176 12.46794 2645.580       217.4337 2307.418       246.9243 3813.042       458.7990 277.2066 15.24704 352.0936 22.33355 -74.88699      27.04181 
1 1 1 3   30 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   30 24 o 92.04802 28.82569 273.4038       172.9584 91.86032       191.1529 1093.168       406.1953 71.68216 29.10382 175.4695 40.31914 -103.7873      49.72590 
1 1 1 3   30 25 o 127.3308 24.79907 525.7431       178.5291 479.7885       206.2039 663.3062       356.7658 119.3902 29.59794 134.3328 41.29153 -14.94261      50.80382 
1 1 1 3   30 26 o 196.4113 16.33274 1181.529       186.4370 1028.756       209.8816 1753.039       405.9408 181.2287 20.08350 227.9186 31.18617 -46.68987      37.09346 
1 1 1 3   30 27 o 143.7874 19.76308 654.1357       162.2538 715.7874       179.2334 374.2164       381.9119 149.8498 20.96759 105.3487 41.69032 44.50105       46.66607 
1 1 1 3   30 28 o 58.87389 24.98372 34.99165       149.9605 11.05691       163.7152 159.7438       373.7650 58.77143 25.53392 89.67355 38.77124 -30.90212      46.42403 
1 1 1 3   30 29 o 82.42635 28.62354 224.8796       169.1379 193.4232       190.4424 342.3485       368.0196 79.55551 29.97382 100.0177 40.46476 -20.46214      50.35699 
1 1 1 3   30 30 o 191.6856 17.13481 1149.754       190.5987 1170.545       218.2175 1082.859       391.4202 191.5269 19.70813 163.4511 40.92787 28.07579       45.42577 
1 1 1 3   30 31 o 84.25948 28.28057 246.3519       164.8392 272.7427       180.3448 112.3728       406.3456 87.85228 29.58147 85.96471 38.62791 1.887573       48.65366 
1 1 1 3   30 32 o 70.55138 26.90255 149.6207       154.5178 245.4834       170.7129 -284.9223      363.4609 83.45957 28.76758 65.90654 31.74233 17.55303       42.83864 
1 1 1 3   30 33 o 153.2260 18.10989 754.4498       159.6002 720.1503       175.6301 917.0349       382.3808 147.6413 20.86419 141.7237 42.58359 5.917603       47.42021 
1 1 1 3   30 34 f 162.8266 11.43462 809.0118       108.4994 820.9499       111.6196 604.3912       462.1134 163.8857 11.68988 109.0926 44.88335 54.79312       46.38069 
1 1 1 3   30 35 o 42.97204 19.66172 -47.29368      111.2228 -30.94994      113.9441 -377.2523      511.9716 44.91300 20.29358 72.08106 35.36837 -27.16806      40.77684 
1 1 1 3   30 36 o 78.79544 23.85105 221.4620       119.6392 270.6411       126.5200 -194.1342      367.7940 86.81071 24.03202 66.63670 32.05241 20.17401       40.06114 
1 1 1 3   30 37 o 81.02327 23.79764 235.9803       120.5054 243.8393       126.7355 161.8893       389.1324 81.98890 24.48800 81.05305 36.96775 0.9358444      44.34272 
1 1 1 3   30 38 o 124.6564 18.32416 515.3864       129.9695 513.0571       135.8490 540.5632       446.6190 123.5535 19.38517 98.74895 42.53644 24.80454       46.74541 
1 1 1 3   30 39 o 103.5382 24.51952 391.9460       146.5768 398.5255       153.2166 320.9313       503.3650 103.6490 25.40557 88.10121 40.85213 15.54781       48.10759 
1 1 1 3   31 0  o 253.1047 16.83266 1913.662       248.4441 1913.662       248.4441 0.000000       0.000000 253.1047 16.83266 ?        ?        0.000000       16.83266 
1 1 1 3   31 1  o 656.9173 17.61571 12863.10       678.0618 12863.10       678.0618 0.000000       0.000000 656.9173 17.61571 ?        ?        0.000000       17.61571 
1 1 1 3   31 2  f 326.0603 10.46157 3138.101       199.7943 2928.322       224.7291 3929.182       436.4036 314.5875 12.20371 361.5906 20.66488 -47.00305      23.99933 
1 1 1 3   31 3  o 433.8546 8.656806 5540.665       220.2685 5757.313       254.7408 4898.733       438.4950 442.0132 9.826814 404.8072 18.51901 37.20599       20.96474 
1 1 1 3   31 4  o 432.0099 9.141491 5496.130       231.6121 5661.688       334.5405 5343.725       320.9783 437.3133 13.05847 424.8952 12.89574 12.41809       18.35276 
1 1 1 3   31 5  o 489.1123 13.42204 7085.268       384.6511 7085.268       384.6511 0.000000       0.000000 489.1123 13.42204 ?        ?        0.000000       13.42204 
1 1 1 3   31 6  o 164.4206 13.37002 805.2053       127.8138 687.2227       134.5978 1887.887       407.7363 151.4146 15.36997 247.0900 28.66821 -95.67543      32.52848 
1 1 1 3   31 7  o 240.9646 8.983625 1712.181       126.7343 1754.443       134.4045 1373.294       380.6001 243.8580 9.415495 208.8392 32.10062 35.01880       33.45298 
1 1 1 3   31 8  o 202.0726 9.512138 1205.752       112.4127 1251.989       118.3873 782.0393       358.3829 205.8704 9.833731 154.2076 39.46638 51.66278       40.67305 
1 1 1 3   31 9  o 145.2687 11.44943 626.9891       96.75738 575.4832       100.6421 1255.804       351.6510 138.9595 12.48211 199.8253 31.01080 -60.86580      33.42862 
1 1 1 3   31 10 o 155.7211 10.33636 718.3882       93.86430 689.7531       97.28863 1103.817       356.9311 152.4756 10.95252 185.7176 34.02377 -33.24194      35.74318 
1 1 1 3   31 11 o 246.8587 9.349153 1798.535       135.1094 1681.708       143.4357 2718.067       402.4101 238.5329 10.27729 299.0543 23.12345 -60.52142      25.30448 
1 1 1 3   31 12 o 285.1267 9.220725 2398.595       153.9863 2466.752       171.0963 2108.038       353.2652 288.9759 10.11109 263.0038 23.13843 25.97208       25.25116 
1 1 1 3   31 13 o 225.5111 7.433002 1498.029       98.17229 1371.522       108.7986 2052.403       227.7546 215.5970 8.621976 262.3490 14.86337 -46.75201      17.18308 
1 1 1 3   31 14 o 40.77594 16.99972 11.43748       67.51628 79.50426       72.80446 -406.7052      180.4482 54.08625 18.77956 40.75556 20.18450 13.33069       27.56965 
1 1 1 3   31 15 o 226.8058 7.659363 1516.357       101.7358 1500.519       104.7811 1777.026       425.0758 225.5741 7.932676 236.4901 31.42511 -10.91606      32.41088 
1 1 1 3   31 16 f 49.40816 15.10167 73.06676       47.80645 71.03325       48.16566 207.8762       392.1696 48.89487 15.19639 102.1102 41.60152 -53.21530      44.29014 
1 1 1 3   31 17 o 142.7651 24.10955 639.3902       194.6840 550.1036       217.1140 1005.771       439.8062 130.4382 29.11929 169.7833 43.86010 -39.34509      52.64638 
1 1 1 3   31 18 o 182.5964 19.36853 1017.782       204.2551 1115.833       230.7798 663.2787       438.8165 190.6451 20.98735 138.4574 46.13658 52.18773       50.68583 
1 1 1 3   31 19 o 175.4756 18.38664 938.0941       186.4148 887.0406       209.2500 1134.455       410.3746 169.4144 21.54715 182.2633 39.53120 -12.84891      45.02217 
1 1 1 3   31 20 f 150.8431 23.37988 713.5822       200.1434 813.7477       234.1985 442.3214       385.4058 160.2233 25.79932 117.9275 42.96588 42.29573       50.11658 
1 1 1 3   31 21 o 215.8433 15.65706 1405.298       196.8506 1524.545       229.4877 1073.211       382.9683 224.0506 17.60612 176.8134 38.05934 47.23715       41.93434 
1 1 1 3   31 22 o 137.1478 23.37265 596.6035       181.2609 473.8277       202.0825 1101.984       409.9980 119.7046 29.07713 176.5442 40.46562 -56.83955      49.82917 
1 1 1 3   31 23 o 298.4506 12.82429 2666.699       223.9452 2702.878       265.0368 2576.397       418.7209 299.2647 15.15009 285.0753 25.30734 14.18936       29.49554 
1 1 1 3   31 24 o 51.98700 23.84879 -90.99104      165.0782 -151.2168      189.8537 95.64431       334.2143 52.67941 24.64708 85.72856 36.86058 -33.04915      44.34164 
1 1 1 3   31 25 o 244.2216 13.04916 1798.809       186.2248 1661.824       209.5353 2313.758       406.2585 233.4514 15.39003 266.3362 26.35403 -32.88480      30.51865 
1 1 1 3   31 26 o 48.96322 22.57751 -88.68348      150.6216 -40.23106      165.2671 -326.2857      365.9771 55.04929 24.69354 67.65965 32.39367 -12.61036      40.73231 
1 1 1 3   31 27 o 137.7548 22.42174 618.7952       174.9210 651.0677       195.3387 488.1770       392.9829 139.9326 24.70529 111.9916 42.85448 27.94098       49.46572 
1 1 1 3   31 28 o 63.14396 26.53011 59.50660       166.3771 -38.42818      186.1730 447.9518       370.7772 57.93602 26.08027 107.5524 41.50467 -49.61634      49.01854 
1 1 1 3   31 29 o 276.9904 13.22855 2337.244       214.2744 2451.778       252.7288 2044.420       404.1029 281.9070 15.34401 242.6944 28.96196 39.21257       32.77551 
1 1 1 3   31 30 o 75.69558 27.98733 182.6184       164.4873 292.5031       186.7467 -197.6519      347.4006 90.21724 30.09833 68.06840 32.29887 22.14884       44.14891 
1 1 1 3   31 31 f 100.2271 26.41005 357.9175       157.3898 383.7406       175.7307 253.2189       353.8457 102.5963 28.29209 89.47879 38.18795 13.11752       47.52643 
1 1 1 3   31 32 o 88.02615 28.63674 282.9673       169.4307 380.1783       196.3214 -0.7658783     335.4016 100.0911 30.60507 73.88665 33.93171 26.20441       45.69498 
1 1 1 3   31 33 o 64.63631 27.07252 88.01902       172.4192 26.25655       190.8621 362.0644       402.0394 61.44570 27.10696 94.91344 40.61152 -33.46774      48.82707 
1 1 1 3   31 34 o 61.51915 26.55568 55.69925       174.7894 61.60421       191.3207 25.89168       429.8499 63.76056 27.65282 78.88924 36.96675 -15.12868      46.16513 
1 1 1 3   31 35 o 100.3846 29.27332 391.2938       182.9095 359.2200       203.9461 523.1495       413.5131 94.48761 31.45215 101.2806 42.13536 -6.792999      52.57972 
1 1 1 3   31 36 o 54.92989 24.56259 0.6254344      162.1330 64.84538       183.6994 -225.7187      344.8717 62.56516 27.11557 63.39318 30.62798 -0.8280220     40.90632 
1 1 1 3   31 37 o 82.44543 23.05375 244.5898       115.7955 231.5158       121.7134 369.3109       375.9283 79.73835 24.03977 90.13690 38.92717 -10.39855      45.75189 
1 1 1 3   31 38 o 50.91741 22.42912 11.82978       130.2180 -47.69114      136.2851 636.0276       441.3415 47.00756 21.60311 103.5425 43.33706 -56.53495      48.42308 
1 1 1 3   32 0  o 510.2875 11.13771 7686.872       333.3199 7442.667       411.4785 8152.953       568.4608 500.9542 14.01929 522.1235 18.59391 -21.16937      23.28677 
1 1 1 3   32 1  o 243.2327 14.49659 1760.553       205.8560 1760.553       205.8560 0.000000       0.000000 243.2327 14.49659 ?        ?        0.000000       14.49659 
1 1 1 3   32 2  o 75.46518 30.77725 80.40651       214.9064 80.40651       214.9064 0.000000       0.000000 75.46518 30.77725 ?        ?        0.000000       30.77725 
1 1 1 3   32 3  o 369.7317 9.278041 4029.961       201.0251 4029.961       201.0251 0.000000       0.000000 369.7317 9.278041 ?        ?        0.000000       9.278041 
1 1 1 3   32 4  o 46.49381 22.43457 -275.9508      183.6012 -230.4810      215.9100 -394.6983      348.9182 54.48124 25.73600 67.60966 32.16372 -13.12842      41.19280 
1 1 1 3   32 5  o 325.8194 22.82886 3217.774       433.4658 0.000000       0.000000 3217.774       433.4658 ?        ?        325.8194 22.82886 0.000000       22.82886 
1 1 1 3   32 6  o 158.3988 11.79362 745.5568       108.7731 742.1145       113.6929 782.7677       373.8092 157.9261 12.37395 153.4801 40.82225 4.445969       42.65643 
1 1 1 3   32 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   32 8  o 173.5493 10.18874 891.7060       103.2474 853.7408       107.3389 1361.420       377.5555 169.6935 10.84224 207.1883 32.10997 -37.49478      33.89107 
1 1 1 3   32 9  f 283.5660 8.130988 2369.434       135.0826 2441.210       144.7539 1885.495       375.8665 287.7522 8.587116 247.1377 26.33782 40.61455       27.70234 
1 1 1 3   32 10 o 200.9440 8.978264 1192.429       105.5407 1183.989       110.4067 1281.905       359.4641 200.1573 9.431843 200.8925 31.54843 -0.7351990     32.92815 
1 1 1 3   32 11 o 261.9345 10.57331 2029.931       162.0917 2029.931       162.0917 0.000000       0.000000 261.9345 10.57331 ?        ?        0.000000       10.57331 
1 1 1 3   32 12 o 275.0559 8.158686 2230.699       131.4654 2221.159       138.6704 2315.417       413.2249 274.3780 8.628282 273.5572 26.07147 0.8207397      27.46214 
1 1 1 3   32 13 f 81.55933 16.95165 206.1995       78.43474 203.0309       82.60931 235.1945       249.8956 80.74809 17.91289 93.21120 34.49048 -12.46311      38.86470 
1 1 1 3   32 14 o 231.5750 7.200418 1580.279       97.67239 1494.059       109.2576 1923.383       217.9516 224.9811 8.294670 253.6135 14.71658 -28.63235      16.89317 
1 1 1 3   32 15 o 163.9333 7.712344 793.5031       73.94094 715.7169       82.40398 1114.916       167.5052 155.4605 9.077604 192.7410 14.93493 -37.28047      17.47727 
1 1 1 3   32 16 o 73.87190 12.40459 166.2960       51.83887 166.2019       52.25277 172.1646       412.6770 73.82771 12.51464 100.6609 42.00201 -26.83315      43.82676 
1 1 1 3   32 17 o 130.4511 23.89337 537.4788       176.0655 506.0360       195.3540 673.5316       406.3644 125.2566 27.36072 138.8766 44.27413 -13.62000      52.04620 
1 1 1 3   32 18 o 218.3810 16.82518 1441.739       213.8287 1445.672       242.6714 1428.082       452.2158 217.7045 19.20310 204.8352 39.06886 12.86923       43.53315 
1 1 1 3   32 19 o 134.9622 27.44107 589.7029       209.7940 442.1862       237.0344 1123.126       450.7408 115.0675 33.25696 177.1169 43.67240 -62.04946      54.89357 
1 1 1 3   32 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   32 21 o 85.35032 30.92912 213.2140       199.3444 25.00491       224.3613 918.8016       434.4133 70.07606 30.16665 156.7271 44.93778 -86.65105      54.12422 
1 1 1 3   32 22 o 51.23732 23.89812 -136.4046      176.2401 -279.2533      198.2774 401.1905       384.6475 48.01473 23.20420 110.6721 42.38558 -62.65739      48.32156 
1 1 1 3   32 23 o 161.0351 18.04862 804.6299       167.5275 717.5721       186.7188 1164.024       379.3759 150.0971 21.85234 180.0913 37.15267 -29.99414      43.10274 
1 1 1 3   32 24 o 228.2760 13.35111 1577.042       177.9624 1542.048       202.7395 1694.535       371.4918 224.5227 15.49167 224.6183 28.86686 -0.9556580E-01 32.76107 
1 1 1 3   32 25 o 136.5148 22.37935 605.9320       172.9721 457.5667       194.5212 1166.473       378.0979 114.6521 28.93305 176.7197 37.63531 -62.06757      47.47144 
1 1 1 3   32 26 o 205.4537 14.97371 1296.488       179.1852 1282.178       208.1758 1337.403       352.0023 202.5149 17.70550 194.2960 32.00428 8.218887       36.57539 
1 1 1 3   32 27 o 145.5053 21.18993 686.9250       175.5171 806.8942       197.6471 239.3898       381.7414 157.2926 22.02867 93.11535 39.70004 64.17721       45.40216 
1 1 1 3   32 28 o 194.5394 15.44174 1173.246       174.7346 1186.074       194.1220 1118.477       401.1119 194.3560 17.20809 164.1573 41.61417 30.19872       45.03174 
1 1 1 3   32 29 o 61.17551 25.88107 56.09668       160.1024 30.65333       179.6171 154.4724       353.1868 61.41661 26.71355 84.44241 37.07653 -23.02579      45.69773 
1 1 1 3   32 30 f 101.5754 26.36887 368.0655       158.4434 532.4995       183.5791 -112.1029      313.7071 122.8641 26.27260 67.42490 31.59003 55.43919       41.08746 
1 1 1 3   32 31 o 69.40993 27.49209 137.0793       166.2115 24.77925       191.9021 474.2939       332.5393 61.74477 27.21215 104.1907 39.52844 -42.44589      47.98957 
1 1 1 3   32 32 o 71.13916 28.06455 152.9862       172.5732 244.3164       193.7861 -197.0032      379.3523 82.20972 30.38105 68.64793 32.89709 13.56180       44.77976 
1 1 1 3   32 33 o 86.56936 29.31866 283.8831       177.1580 285.0960       195.6421 278.3586       417.5279 86.33028 30.71881 88.97404 39.62566 -2.643753      50.13819 
1 1 1 3   32 34 o 96.58315 28.09063 356.1386       168.6262 385.3770       185.3299 215.5203       406.4333 99.23276 29.60649 84.49893 38.23945 14.73383       48.36114 
1 1 1 3   32 35 o 122.1715 25.15673 539.2584       174.2428 603.4642       194.7877 282.1497       389.7919 127.7631 26.85032 86.69702 38.46789 41.06604       46.91182 
1 1 1 3   32 36 o 88.52711 29.47538 312.0068       179.1134 403.7930       192.3294 -287.8404      491.6740 99.84734 30.24451 70.47415 34.59619 29.37318       45.95244 
1 1 1 3   32 37 o 69.99661 28.90089 150.3916       192.5075 167.3353       208.2025 50.54988       505.4039 72.32681 29.97740 79.28677 37.98897 -6.959969      48.39221 
1 1 1 3   33 0  o 286.2189 12.49120 2429.748       209.1731 2429.748       209.1731 0.000000       0.000000 286.2189 12.49120 ?        ?        0.000000       12.49120 
1 1 1 3   33 1  o 268.9929 9.538296 2136.307       150.2361 2164.859       159.4932 1911.547       447.4942 270.6828 10.06440 246.1637 31.73402 24.51909       33.29174 
1 1 1 3   33 2  o 114.3176 30.94869 419.6873       212.5379 419.6873       212.5379 0.000000       0.000000 114.3176 30.94869 ?        ?        0.000000       30.94869 
1 1 1 3   33 3  o 286.1685 9.140846 2416.321       153.2150 2520.751       167.6811 1888.225       377.0743 292.1593 9.800068 247.2207 26.41597 44.93864       28.17525 
1 1 1 3   33 4  o 138.4093 14.78964 575.6780       118.1948 623.1957       124.2939 126.8362       382.0045 144.0358 14.93021 96.87367 40.41554 47.16216       43.08511 
1 1 1 3   33 5  o 179.1436 19.39462 973.9803       200.5207 1166.393       234.6566 453.1768       386.0585 195.7648 20.75422 121.6180 43.16446 74.14677       47.89476 
1 1 1 3   33 6  o 367.3370 21.40738 4087.346       459.1905 0.000000       0.000000 4087.346       459.1905 ?        ?        367.3370 21.40738 0.000000       21.40738 
1 1 1 3   33 7  o 79.65994 20.66401 198.4303       97.35095 156.4948       100.3644 865.4732       400.2818 71.66511 21.87669 159.6475 42.14138 -87.98240      47.48142 
1 1 1 3   33 8  f 205.4707 9.477268 1248.290       113.8970 1231.509       119.0015 1431.407       393.1029 203.9909 9.977241 211.2923 32.78468 -7.301361      34.26923 
1 1 1 3   33 9  o 242.9847 9.065130 1743.947       128.9559 1743.947       128.9559 0.000000       0.000000 242.9847 9.065130 ?        ?        0.000000       9.065130 
1 1 1 3   33 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   33 11 o 164.3835 10.25403 801.8166       98.36379 786.7109       102.3961 982.3604       354.0011 162.7188 10.79085 171.9723 36.24384 -9.253494      37.81611 
1 1 1 3   33 12 o 233.2248 7.884672 1604.716       107.6922 1531.935       116.9435 2010.883       276.2601 227.7038 8.773416 257.8242 18.39099 -30.12039      20.37649 
1 1 1 3   33 13 o 262.5846 7.475288 2032.804       115.0020 1965.829       128.8455 2295.199       255.0309 258.0101 8.526662 276.5268 15.79118 -18.51669      17.94617 
1 1 1 3   33 14 o 40.52234 17.44045 -3.710755      74.95985 -96.73071      80.95649 555.3173       198.4634 32.82593 15.58067 131.6730 26.61640 -98.84708      30.84137 
1 1 1 3   33 15 o 95.08356 12.55163 273.2063       68.28542 249.4019       74.63161 395.5882       169.2202 90.30456 14.58882 110.7466 26.42373 -20.44203      30.18355 
1 1 1 3   33 16 o 263.3353 7.716431 2046.285       119.0440 2116.167       124.2073 1257.789       417.2179 267.7537 7.918422 192.1992 38.35827 75.55441       39.16706 
1 1 1 3   33 17 f 181.9877 19.71169 1018.275       207.0311 1070.180       236.2224 846.3354       429.9354 185.5276 22.14698 152.5733 44.98695 32.95422       50.14294 
1 1 1 3   33 18 o 228.2501 15.13890 1570.709       201.5090 1570.691       226.5665 1570.777       440.8194 227.3917 17.11472 215.3533 36.18460 12.03842       40.02798 
1 1 1 3   33 19 o 164.0374 21.82944 843.5031       204.7998 970.6111       235.9073 454.6221       412.6324 175.2534 23.54752 117.1490 44.12436 58.10442       50.01445 
1 1 1 3   33 20 f 65.31286 27.96525 27.27431       190.8764 41.00401       217.5278 -18.68304      397.9805 70.01369 29.91284 85.54818 38.35130 -15.53449      48.63743 
1 1 1 3   33 21 o 176.7031 17.72973 964.6085       181.2572 1068.064       203.8148 573.3052       396.3826 185.3264 19.02171 123.3192 43.74081 62.00719       47.69784 
1 1 1 3   33 22 o 73.28541 27.69279 147.5816       162.8309 150.5345       180.9258 134.9949       373.5367 75.22889 29.00292 89.66302 38.76303 -14.43413      48.41221 
1 1 1 3   33 23 o 70.12488 27.56441 121.4278       165.9462 -28.53069      187.6164 660.4113       355.6911 59.38130 26.49675 129.0240 41.45181 -69.64265      49.19685 
1 1 1 3   33 24 o 118.5002 24.45640 469.6856       164.3277 323.4089       183.3291 1067.629       370.6583 96.16341 29.60689 166.9966 38.61630 -70.83314      48.65990 
1 1 1 3   33 25 o 128.6570 23.82904 551.4904       173.1805 421.2093       193.7939 1068.019       385.8751 108.7469 29.59960 163.7147 40.43179 -54.96780      50.10854 
1 1 1 3   33 26 o 110.9609 25.29648 421.5730       160.9499 245.6442       175.1709 1375.012       407.7931 84.80700 29.14433 188.4752 38.20192 -103.6682      48.04976 
1 1 1 3   33 27 o 79.23566 27.58733 210.8894       157.1649 166.2668       173.8421 410.5559       367.7310 74.41841 28.49628 102.3087 40.77224 -27.89033      49.74348 
1 1 1 3   33 28 o 85.34794 27.87508 258.6921       160.4576 308.0581       177.2045 33.92679       378.1164 91.90866 29.22954 79.34695 36.28511 12.56171       46.59373 
1 1 1 3   33 29 o 108.3804 28.70176 432.1348       185.2955 244.9253       212.8524 1017.981       376.5357 83.68090 31.65275 152.6689 41.13427 -68.98797      51.90303 
1 1 1 3   33 30 f 131.2443 25.21432 603.5651       187.0276 554.5308       215.5633 752.8646       376.1439 121.0427 30.40891 125.4880 42.71820 -4.445335      52.43612 
1 1 1 3   33 31 o 61.34039 26.87059 37.58201       184.5422 -71.62775      208.9023 425.6358       393.7842 57.02188 26.39784 97.85004 40.94373 -40.82816      48.71586 
1 1 1 3   33 32 o 91.79366 28.41078 319.7194       168.5521 312.6550       184.1594 356.1774       418.3639 89.99440 29.88550 92.67290 40.53046 -2.678497      50.35734 
1 1 1 3   33 33 o 64.62708 26.85174 103.1229       167.6243 75.15539       180.9974 271.6786       444.3414 63.30218 27.17055 87.74278 39.81707 -24.44061      48.20413 
1 1 1 3   33 34 o 108.9102 28.18505 454.4532       181.3997 479.5295       198.2338 325.3371       449.8175 110.2066 29.91169 89.32883 40.34565 20.87772       50.22430 
1 1 1 3   33 35 o 101.9307 29.00254 410.9710       181.6284 449.9449       197.5403 197.8685       461.9158 105.4225 30.32692 83.11243 38.74005 22.31011       49.19872 
1 1 1 3   33 36 o 61.17725 27.69380 14.87001       213.3661 87.60003       232.5623 -371.9280      536.3207 67.57916 29.86255 70.52130 34.90325 -2.942139      45.93483 
1 1 1 3   34 0  o 370.5141 12.97073 4079.207       281.4164 4079.207       281.4164 0.000000       0.000000 370.5141 12.97073 ?        ?        0.000000       12.97073 
1 1 1 3   34 1  o 436.2134 9.772407 5618.304       250.0064 5618.304       250.0064 0.000000       0.000000 436.2134 9.772407 ?        ?        0.000000       9.772407 
1 1 1 3   34 2  o 121.2988 31.23807 478.7702       223.5655 478.7702       223.5655 0.000000       0.000000 121.2988 31.23807 ?        ?        0.000000       31.23807 
1 1 1 3   34 3  o 386.6522 10.36117 4421.554       234.7406 4220.472       312.0549 4683.653       356.2679 376.3600 14.16291 395.9491 15.37137 -19.58911      20.90137 
1 1 1 3   34 4  o 233.9711 10.75457 1622.395       147.1779 1622.395       147.1779 0.000000       0.000000 233.9711 10.75457 ?        ?        0.000000       10.75457 
1 1 1 3   34 5  o 99.77798 29.42877 317.9082       183.9588 386.9050       206.6971 55.05305       403.4395 109.3082 30.88475 93.55645 40.36478 15.75175       50.82503 
1 1 1 3   34 6  o 237.1931 9.654458 1664.265       134.0207 1720.870       141.3079 1157.519       422.7976 241.1205 10.01448 184.8002 40.15999 56.32028       41.38979 
1 1 1 3   34 7  o 256.0408 8.745756 1936.074       131.1351 1925.489       137.9078 2035.972       423.6582 255.2368 9.228061 253.9995 28.95675 1.237320       30.39161 
1 1 1 3   34 8  o 167.1448 13.56214 836.4456       131.8036 836.4456       131.8036 0.000000       0.000000 167.1448 13.56214 ?        ?        0.000000       13.56214 
1 1 1 3   34 9  o 241.6632 8.516486 1724.788       120.5153 1629.660       125.4757 2857.081       432.8963 234.7706 9.130492 303.9414 24.49254 -69.17081      26.13906 
1 1 1 3   34 10 o 230.3158 8.581471 1567.204       115.7113 1475.920       120.2223 2715.577       426.4124 223.3732 9.196729 295.9186 24.79795 -72.54546      26.44841 
1 1 1 3   34 11 o 175.3570 10.73882 913.9114       109.9113 913.9114       109.9113 0.000000       0.000000 175.3570 10.73882 ?        ?        0.000000       10.73882 
1 1 1 3   34 12 o 166.5030 12.02305 827.3845       116.6145 759.2735       122.6613 1467.561       376.0523 159.1610 13.26113 213.2593 30.97189 -54.09830      33.69148 
1 1 1 3   34 13 o 183.4115 9.594670 997.3387       102.8476 1022.001       109.4911 812.4130       299.8206 185.5630 10.09896 156.1540 33.72614 29.40900       35.20571 
1 1 1 3   34 14 o 176.0674 9.129143 918.6564       93.94500 856.9863       104.4743 1179.176       214.7298 169.7374 10.54708 196.4088 18.87354 -26.67143      21.62063 
1 1 1 3   34 15 o 288.9660 6.964950 2460.603       118.0362 2332.575       133.8023 2909.855       250.6428 280.9847 8.128065 311.7595 13.74211 -30.77481      15.96593 
1 1 1 3   34 16 o 295.4138 13.47114 2614.237       232.7775 2525.375       276.2225 2831.979       432.3857 288.8922 16.37019 300.1614 24.78275 -11.26920      29.70131 
1 1 1 3   34 17 f 157.3630 21.68773 777.3607       194.8385 869.3035       223.8453 489.9647       395.7577 165.5245 23.73714 119.2982 43.52781 46.22630       49.57945 
1 1 1 3   34 18 o 147.5251 23.66144 697.1026       197.8004 780.9156       221.6203 368.8733       438.5734 155.4935 25.16125 110.2562 44.32671 45.23731       50.97005 
1 1 1 3   34 19 o 206.9381 15.33815 1304.178       184.8270 1356.731       205.7521 1084.518       420.6503 210.3068 16.82185 168.9097 42.50399 41.39711       45.71175 
1 1 1 3   34 20 o 131.2761 25.67327 571.3733       190.5749 649.3415       218.0615 319.2635       392.1165 138.8920 27.74172 102.3668 41.63876 36.52516       50.03388 
1 1 1 3   34 21 o 127.0470 25.79812 540.7593       185.6517 543.1717       211.0604 532.5104       390.2800 125.2079 29.26990 116.8316 43.12593 8.376259       52.12076 
1 1 1 3   34 22 o 167.0113 19.12045 881.2993       183.9093 761.1245       205.0669 1375.190       415.7234 152.2106 23.74696 190.8003 38.48085 -38.58974      45.21829 
1 1 1 3   34 23 o 80.47250 27.10816 214.6767       151.4477 165.1298       166.4014 453.7724       365.5400 74.65079 28.04122 108.2315 41.35197 -33.58073      49.96294 
1 1 1 3   34 24 o 194.5581 14.90808 1166.141       168.8109 1152.552       187.3922 1224.648       388.8346 192.1889 16.79397 177.6397 38.44079 14.54912       41.94916 
1 1 1 3   34 25 o 162.3242 17.44300 831.2923       163.4538 841.3848       180.2627 784.6212       387.6430 162.0393 19.35061 133.5835 43.30488 28.45583       47.43162 
1 1 1 3   34 26 o 112.1878 26.91727 445.2641       174.8344 457.4875       200.5228 406.5146       357.0257 111.5006 30.00761 101.1054 40.21317 10.39529       50.17524 
1 1 1 3   34 27 o 102.0964 28.40083 381.3568       176.2323 357.9307       200.6573 460.3927       368.5673 97.37103 31.11896 103.6094 40.97015 -6.238411      51.44844 
1 1 1 3   34 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   34 29 o 63.50509 26.85642 75.73703       172.2889 93.10383       193.1960 8.273120       380.7800 67.12580 28.41587 76.63404 35.53360 -9.508240      45.49834 
1 1 1 3   34 30 o 94.80161 28.91240 341.6432       175.3549 323.0316       195.2978 419.0648       398.3246 91.24593 30.78353 96.91021 40.90203 -5.664276      51.19181 
1 1 1 3   34 31 o 80.11496 28.82272 236.1920       172.7315 286.6487       194.5517 48.34622       375.3845 86.13987 30.63496 76.26785 35.33504 9.872025       46.76607 
1 1 1 3   34 32 o 154.8869 20.38771 806.2250       180.7043 874.2341       199.0791 487.9914       430.6407 159.9713 21.78488 98.13438 42.01144 61.83694       47.32380 
1 1 1 3   34 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   34 34 o 182.2895 20.15742 1121.874       211.9040 1211.641       244.5960 851.7795       424.2750 186.1106 22.89094 119.5533 44.80336 66.55726       50.31239 
1 1 1 3   34 35 o 145.4237 26.42138 784.3683       217.0439 905.1655       244.9412 342.8369       468.2896 154.3707 28.08942 88.15785 40.33932 66.21280       49.15564 
1 1 1 3   35 0  o 109.6077 31.80936 391.8868       216.4407 391.8868       216.4407 0.000000       0.000000 109.6077 31.80936 ?        ?        0.000000       31.80936 
1 1 1 3   35 1  o 319.4705 15.29476 3057.014       285.7331 3057.014       285.7331 0.000000       0.000000 319.4705 15.29476 ?        ?        0.000000       15.29476 
1 1 1 3   35 2  o 434.9285 8.826156 5582.700       225.1334 5692.084       250.5039 5123.259       513.3955 438.8655 9.732681 409.7783 21.43708 29.08725       23.54301 
1 1 1 3   35 3  o 240.7381 10.78649 1719.236       151.9046 1719.236       151.9046 0.000000       0.000000 240.7381 10.78649 ?        ?        0.000000       10.78649 
1 1 1 3   35 4  o 61.66224 23.58922 84.89492       119.0505 142.0032       124.8632 -485.9932      394.7848 70.76662 24.59241 69.09917 33.22937 1.667450       41.33978 
1 1 1 3   35 5  o 88.99545 22.47888 251.2565       117.3402 289.1302       122.3594 -182.1854      413.9370 95.50992 22.25802 82.33131 37.76756 13.17861       43.83842 
1 1 1 3   35 6  o 153.6369 13.17485 707.3687       117.5662 706.5435       121.9421 718.2507       442.8359 153.4145 13.69696 142.5942 46.28979 10.82027       48.27371 
1 1 1 3   35 7  o 278.2952 8.834354 2288.747       144.0060 2370.322       153.0161 1656.630       425.9483 283.1170 9.227864 225.4149 33.21422 57.70215       34.47228 
1 1 1 3   35 8  o 204.6184 9.616343 1240.461       115.0770 1186.877       119.0503 2003.250       449.1769 200.0155 10.18234 249.2657 31.42268 -49.25020      33.03127 
1 1 1 3   35 9  o 150.9212 11.89160 680.4669       104.4048 616.0042       108.0241 1594.373       406.7404 143.2871 12.99594 221.3290 32.28529 -78.04192      34.80279 
1 1 1 3   35 10 f 166.6448 11.38186 827.8690       110.5708 726.3174       114.5486 2214.365       423.2584 155.7324 12.65066 264.3530 27.71191 -108.6207      30.46292 
1 1 1 3   35 11 o 370.4639 8.968039 4055.992       194.8471 4055.992       194.8471 0.000000       0.000000 370.4639 8.968039 ?        ?        0.000000       8.968039 
1 1 1 3   35 12 o 223.2406 9.154727 1476.281       119.6043 1462.136       124.7640 1636.763       420.2452 222.0546 9.602996 222.4656 33.22668 -0.4110413     34.58655 
1 1 1 3   35 13 o 244.1330 14.92064 1795.589       212.6109 1919.510       264.8160 1570.842       356.6314 250.8864 18.11977 220.9317 28.16335 29.95470       33.48880 
1 1 1 3   35 14 o 162.4374 10.98381 787.7475       104.0227 830.4681       120.7604 664.8807       204.7968 166.3846 12.46608 143.8090 25.20018 22.57561       28.11498 
1 1 1 3   35 15 o 196.7984 8.181182 1146.950       94.21935 1178.055       104.0053 1004.599       222.4923 199.2700 8.922076 178.9553 21.63807 20.31464       23.40533 
1 1 1 3   35 16 o 46.31664 15.89167 60.24148       52.07674 76.05927       58.14190 -3.929105      117.1074 50.89010 16.78818 49.87027 21.63163 1.019836       27.38193 
1 1 1 3   35 17 o 94.00284 29.69845 296.6221       183.1997 312.6823       210.0932 245.6615       374.2443 96.32657 31.91822 97.40881 40.26511 -1.082237      51.38144 
1 1 1 3   35 18 o 112.7739 27.55110 432.3460       180.6376 581.4671       206.2661 -58.36979      374.1737 131.1441 27.68851 79.52957 36.26419 51.61450       45.62615 
1 1 1 3   35 19 o 75.98037 28.83306 164.0908       176.9581 170.3748       199.6362 141.0499       382.2689 78.41441 30.40233 89.56811 38.96450 -11.15370      49.42200 
1 1 1 3   35 20 o 88.85535 27.78948 269.2545       160.8011 246.9373       174.4684 395.1872       414.4446 85.84401 29.09509 105.6860 42.87456 -19.84197      51.81459 
1 1 1 3   35 21 f 192.8225 14.71918 1141.785       165.1951 1079.519       182.2977 1427.702       390.6372 186.1543 16.88108 197.2442 35.05342 -11.08989      38.90647 
1 1 1 3   35 22 o 71.81932 28.04691 139.9283       170.8670 142.9942       187.3883 124.8054       416.1800 73.54461 29.17141 88.56248 39.49432 -15.01787      49.09962 
1 1 1 3   35 23 o 81.35292 28.67464 221.7086       170.1308 150.4288       189.5579 516.9630       385.7952 74.13712 29.36105 111.1821 42.48150 -37.04498      51.64058 
1 1 1 3   35 24 f 84.74982 28.69403 251.0938       169.6890 76.10821       189.6993 951.7305       379.5867 66.61503 28.17662 149.0567 41.76164 -82.44163      50.37813 
1 1 1 3   35 25 o 199.1582 15.69109 1240.206       181.7950 1340.229       213.1933 973.6583       348.0247 205.1991 17.89407 153.4581 38.68631 51.74101       42.62427 
1 1 1 3   35 26 o 127.5813 21.46783 543.4632       154.9320 339.3189       172.1952 1411.190       355.0127 96.04526 28.50939 193.9254 32.35383 -97.88017      43.12256 
1 1 1 3   35 27 o 133.4089 21.49751 596.5251       162.4839 522.3781       179.8835 925.1354       378.6911 121.1661 26.08643 141.4365 42.35020 -20.27035      49.73973 
1 1 1 3   35 28 o 48.55599 22.89622 -122.5305      169.5011 -32.91063      186.6526 -544.0412      404.7960 56.55485 25.72003 61.19801 30.29497 -4.643166      39.74047 
1 1 1 3   35 29 o 92.90231 29.60449 332.9734       181.7058 249.2359       200.0281 728.2640       434.5997 82.09966 30.76411 115.3466 44.81953 -33.24699      54.36194 
1 1 1 3   35 30 o 126.2544 28.11551 598.1611       202.8369 661.7207       232.1260 392.8956       417.1488 129.8982 30.91823 93.49514 40.68774 36.40305       51.10214 
1 1 1 3   35 31 o 153.2836 24.06482 828.7304       209.2175 887.9601       238.4179 630.3850       436.2947 155.3224 27.16156 105.9766 43.60749 49.34577       51.37474 
1 1 1 3   35 32 o 71.41028 29.63428 155.4205       203.8170 65.59960       227.7321 516.9601       456.8919 66.11559 29.36573 97.44127 42.49077 -31.32568      51.65086 
1 1 1 3   35 33 o 97.23648 31.87361 398.9354       209.7060 472.6777       234.9273 109.7555       465.2209 103.8316 33.71626 79.80364 37.72183 24.02800       50.59370 
1 1 1 3   35 34 o 72.90651 30.39259 173.1631       215.7780 228.4978       243.9968 -25.41330      462.2205 78.44642 32.47734 75.07190 36.06385 3.374519       48.53225 
1 1 1 3   36 0  o 370.4562 9.602052 4060.883       208.4420 4060.883       208.4420 0.000000       0.000000 370.4562 9.602052 ?        ?        0.000000       9.602052 
1 1 1 3   36 1  o 158.2103 14.56550 754.1377       133.6324 809.0479       140.3683 222.8489       436.6241 163.8539 14.76525 104.7069 43.40598 59.14694       45.84857 
1 1 1 3   36 2  o 154.4196 14.34201 718.1899       128.4017 769.1545       135.2770 254.6959       407.9545 159.7734 14.59783 104.7849 42.52707 54.98852       44.96274 
1 1 1 3   36 3  o 52.51970 22.68486 -4.051932      127.7019 -4.051932      127.7019 0.000000       0.000000 52.51970 22.68486 ?        ?        0.000000       22.68486 
1 1 1 3   36 4  o 41.92412 19.63990 -113.4470      121.1919 -132.5087      128.5604 38.68472       363.1924 42.33101 19.95457 87.47755 38.01822 -45.14654      42.93681 
1 1 1 3   36 5  f 149.2513 15.44520 674.6642       133.2441 674.6642       133.2441 0.000000       0.000000 149.2513 15.44520 ?        ?        0.000000       15.44520 
1 1 1 3   36 6  o 169.7305 19.17592 884.8225       187.5442 1052.542       213.7198 323.1731       391.0977 184.9233 20.02535 108.0309 42.36067 76.89246       46.85553 
1 1 1 3   36 7  o 417.9380 8.601274 5160.080       210.8265 5234.579       233.5613 4832.325       489.8907 420.6163 9.468133 396.6659 21.13461 23.95038       23.15853 
1 1 1 3   36 8  o 343.3446 10.15521 3496.625       204.2642 3176.731       222.5819 5203.677       514.1743 326.6641 11.63677 411.1662 21.39632 -84.50217      24.35605 
1 1 1 3   36 9  o 213.7751 10.31466 1358.370       128.9374 1358.370       128.9374 0.000000       0.000000 213.7751 10.31466 ?        ?        0.000000       10.31466 
1 1 1 3   36 10 o 229.6292 15.60373 1594.797       208.8905 1701.422       245.2561 1313.082       398.6533 236.1274 17.84220 195.9965 36.00791 40.13098       40.18599 
1 1 1 3   36 11 o 371.8925 8.984965 4093.713       195.9676 4093.713       195.9676 0.000000       0.000000 371.8925 8.984965 ?        ?        0.000000       8.984965 
1 1 1 3   36 12 o 69.63973 20.70626 152.6043       90.77309 73.60457       96.33663 777.9091       271.0345 55.97465 21.26644 151.6786 31.49956 -95.70397      38.00637 
1 1 1 3   36 13 o 165.4511 10.74629 818.3871       103.7105 844.4211       109.7504 601.2001       316.9954 167.9331 11.20759 128.4450 38.81176 39.48808       40.39756 
1 1 1 3   36 14 o 162.1022 10.47884 785.8586       99.08758 806.9396       101.9921 431.4658       418.1811 164.2191 10.64730 112.1794 43.85713 52.03973       45.13107 
1 1 1 3   36 15 o 252.9028 11.00719 1914.082       162.8693 2148.837       248.8760 1738.235       215.3981 265.0192 16.08814 238.6446 15.47346 26.37460       22.32165 
1 1 1 3   36 16 o 268.8321 7.396637 2140.111       116.5073 2106.810       140.6691 2212.856       207.9080 266.0972 9.026869 270.5534 13.14222 -4.456177      15.94373 
1 1 1 3   36 17 o 176.9062 17.20934 973.2374       176.2952 1025.644       194.0806 725.9752       421.5705 180.8201 18.56481 131.4082 45.21049 49.41191       48.87371 
1 1 1 3   36 18 o 79.94368 28.97338 201.8736       174.9382 184.1952       192.8611 283.9449       415.5461 78.92890 30.06562 98.45560 41.67636 -19.52670      51.38931 
1 1 1 3   36 19 o 87.07462 28.91046 259.7067       172.3406 287.1414       191.7837 144.6098       392.8190 90.81233 30.50472 88.73528 39.02671 2.077049       49.53405 
1 1 1 3   36 20 o 218.5452 14.95100 1470.361       190.4752 1538.908       216.9694 1239.981       397.7657 222.2617 16.76867 177.8586 39.19194 44.40305       42.62859 
1 1 1 3   36 21 o 127.0044 24.66000 546.6059       177.0563 680.2856       199.6485 54.19215       383.1759 141.8424 24.90820 82.38390 37.22044 59.45853       44.78593 
1 1 1 3   36 22 o 83.60785 27.43903 242.7868       155.3929 230.0441       168.6350 314.4966       400.0442 81.97074 28.57398 96.20656 40.81521 -14.23582      49.82323 
1 1 1 3   36 23 o 78.00900 27.39947 206.5596       155.2375 151.8596       168.6512 509.9760       397.2055 71.83125 27.91758 107.5005 42.52476 -35.66929      50.86989 
1 1 1 3   36 24 o 172.1168 17.51194 944.4113       174.3108 961.0190       191.3079 863.2117       423.0150 172.2224 19.27055 132.5276 45.29763 39.69478       49.22631 
1 1 1 3   36 25 o 53.50926 24.56878 -61.34046      175.7232 -215.2646      198.9707 484.3055       374.6202 48.84974 23.51677 103.9237 41.23804 -55.07392      47.47226 
1 1 1 3   36 26 o 83.33996 29.29435 253.4521       177.4753 297.5720       202.1178 104.8911       370.8858 88.57867 31.25139 80.22170 36.39348 8.356972       47.97015 
1 1 1 3   36 27 o 65.14401 27.66721 85.97844       184.1622 166.8606       207.6408 -212.2250      398.6969 74.21033 30.25740 69.05625 33.25579 5.154083       44.96062 
1 1 1 3   36 28 o 88.29616 30.43707 303.2508       191.1033 379.4306       214.5638 10.92480       420.3106 96.63136 32.26273 77.19242 36.29250 19.43894       48.55954 
1 1 1 3   36 29 o 82.47181 30.26927 259.7943       191.8121 273.3687       213.1507 201.9991       439.8175 83.90481 31.68892 84.44410 38.80804 -0.5392914     50.10241 
1 1 1 3   36 30 o 61.06715 27.23947 27.95973       198.1006 -49.59790      221.4278 338.9691       443.4111 58.75151 27.19126 89.77968 40.34594 -31.02817      48.65347 
1 1 1 3   36 31 o 77.45162 30.29356 222.2776       199.5923 354.7216       222.5381 -322.4380      451.3080 91.38586 32.73509 67.30917 33.06324 24.07669       46.52702 
1 1 1 3   36 32 o 73.54978 30.04067 183.9363       205.1138 90.18440       226.1093 619.5911       487.4158 67.19646 29.57938 100.2602 43.80038 -33.06374      52.85275 
1 1 1 3   36 33 o 71.94499 29.29211 174.9023       194.2718 338.1617       215.4507 -535.1752      449.3261 88.98429 32.16697 61.97170 30.88451 27.01259       44.59335 
1 1 1 3   37 0  o 113.0791 32.81960 431.2991       230.3980 431.2991       230.3980 0.000000       0.000000 113.0791 32.81960 ?        ?        0.000000       32.81960 
1 1 1 3   37 1  o 274.9969 9.846495 2243.746       158.5471 2280.138       170.4000 2009.120       432.6663 276.9972 10.50829 248.3309 30.33698 28.66626       32.10540 
1 1 1 3   37 2  o 173.3265 13.40207 903.2950       135.1771 856.7131       143.2871 1280.198       407.5806 168.3637 14.65731 192.5719 37.43731 -24.20824      40.20434 
1 1 1 3   37 3  o 224.5688 11.19478 1502.928       146.9752 1502.928       146.9752 0.000000       0.000000 224.5688 11.19478 ?        ?        0.000000       11.19478 
1 1 1 3   37 4  o 33.03776 16.38464 -276.1161      120.4399 -276.1161      120.4399 0.000000       0.000000 33.03776 16.38464 ?        ?        0.000000       16.38464 
1 1 1 3   37 5  o 38.88948 18.40753 -122.0676      111.4952 -87.97572      117.3194 -440.0832      358.3176 42.69027 19.76990 65.07767 31.38670 -22.38741      37.09412 
1 1 1 3   37 6  o 118.9081 17.25032 436.9319       116.7900 505.3475       122.5292 -242.4957      386.1301 128.2292 16.68859 75.10992 35.14428 53.11930       38.90539 
1 1 1 3   37 7  o 188.0465 17.67908 1084.711       192.6862 1311.873       217.2251 246.2291       417.3384 206.7279 18.09918 102.0068 42.37461 104.7210       46.07806 
1 1 1 3   37 8  o 130.2415 13.63300 514.3175       102.5927 496.7705       106.2329 757.2740       395.2952 127.7254 14.43442 141.6113 43.45214 -13.88589      45.78691 
1 1 1 3   37 9  o 150.9863 11.83100 684.9474       103.9273 707.4907       108.0936 409.3038       377.9774 153.3766 12.11516 110.5445 42.09460 42.83205       43.80334 
1 1 1 3   37 10 o 213.8381 11.83875 1371.411       147.8914 1371.411       147.8914 0.000000       0.000000 213.8381 11.83875 ?        ?        0.000000       11.83875 
1 1 1 3   37 11 o 172.4742 10.86746 890.9734       109.3678 871.7627       113.5092 1139.923       408.6161 170.4108 11.42350 174.3759 40.70063 -3.965164      42.27337 
1 1 1 3   37 12 o 60.16666 20.84065 105.8812       89.63766 80.43958       91.75994 636.8776       419.2055 55.99604 20.86588 126.4426 44.96893 -70.44652      49.57408 
1 1 1 3   37 13 o 90.43744 17.68021 259.8157       90.41260 198.6890       94.73335 884.4357       302.8275 78.19685 20.43407 157.3133 33.82887 -79.11649      39.52143 
1 1 1 3   37 14 o 74.87513 17.98612 180.1511       77.98994 145.6910       85.15089 359.5668       194.2947 67.42467 20.05653 101.2170 30.34138 -33.79235      36.37119 
1 1 1 3   37 15 o 122.7685 10.46472 453.9068       74.62924 406.5804       82.48110 667.5773       175.2568 115.5375 12.36457 143.7706 21.43967 -28.23305      24.74958 
1 1 1 3   37 16 o 101.9360 9.832960 313.0644       58.05570 311.2102       62.79566 323.9746       152.3216 101.3773 10.72421 97.12513 26.15993 4.252167       28.27279 
1 1 1 3   37 17 o 107.8521 28.56703 410.8191       183.5389 466.1976       205.2952 190.2997       409.6677 113.9365 30.22862 91.76235 40.12020 22.17413       50.23346 
1 1 1 3   37 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   37 19 o 214.5672 16.19098 1433.718       202.2417 1485.120       228.6626 1249.048       433.4126 216.8027 18.15016 171.8515 43.08777 44.95126       46.75451 
1 1 1 3   37 20 o 94.20082 29.91558 322.6347       185.6763 289.7818       207.0978 457.2493       419.2133 89.77267 31.63740 105.1968 42.95425 -15.42414      53.34784 
1 1 1 3   37 21 o 77.82614 29.20473 198.2869       180.4003 40.76469       200.4502 869.6382       413.8191 64.47617 28.12959 135.4636 44.79247 -70.98742      52.89272 
1 1 1 3   37 22 o 72.43298 28.73334 152.2282       181.8196 109.8637       201.0508 342.4348       426.0078 69.88190 29.24937 95.92348 41.43264 -26.04158      50.71675 
1 1 1 3   37 23 o 99.03336 30.35247 372.0734       192.9501 466.6366       213.7969 -43.11711      447.9854 109.9788 31.52275 79.29864 37.34037 30.68021       48.86703 
1 1 1 3   37 24 o 64.51598 27.84984 63.58136       192.2480 -28.86353      215.3964 425.6606       426.2838 60.57729 27.58055 98.68497 42.00945 -38.10768      50.25416 
1 1 1 3   37 25 o 69.55000 27.84989 140.9100       172.4005 102.5812       188.3493 338.9120       428.0907 67.07978 28.20834 92.75185 40.76900 -25.67207      49.57642 
1 1 1 3   37 26 o 54.38177 24.82693 -38.34777      176.0504 -55.11532      194.1136 39.37630       417.9254 55.73382 25.67471 78.32133 36.61946 -22.58751      44.72333 
1 1 1 3   37 27 o 64.76071 27.35282 94.65510       178.3464 -64.10697      195.6327 875.7898       433.9413 55.11003 25.52426 124.1360 45.53354 -69.02594      52.19953 
1 1 1 3   37 28 o 43.19475 21.06017 -235.4859      173.1507 -241.8957      187.3531 -197.9524      453.3661 45.14563 21.98808 71.44640 34.66107 -26.30077      41.04711 
1 1 1 3   37 29 o 99.10138 29.49724 390.9643       184.1350 416.9394       200.2134 248.4488       468.9707 100.9883 30.91221 85.60911 39.60403 15.37920       50.23987 
1 1 1 3   37 30 o 73.34984 29.39353 185.8018       192.1905 229.6524       212.9440 -6.838822      446.3257 78.19670 31.07109 75.29829 35.97549 2.898415       47.53577 
1 1 1 3   37 31 o 107.8336 32.74620 499.3420       225.2663 538.8072       260.7749 383.3038       447.1558 108.2582 35.54652 89.61446 40.37281 18.64369       53.79144 
1 1 1 3   37 32 o 97.85896 32.81302 421.9445       221.9148 440.0513       254.7806 365.0290       451.7105 97.15980 34.99877 87.59703 39.90498 9.562767       53.07844 
1 1 1 3   38 0  o 352.0354 8.722927 3672.109       180.0939 3492.014       193.5003 4838.345       492.4080 342.7742 9.635052 393.4979 21.41768 -50.72366      23.48513 
1 1 1 3   38 1  o 210.7954 11.61641 1331.037       143.0545 1331.037       143.0545 0.000000       0.000000 210.7954 11.61641 ?        ?        0.000000       11.61641 
1 1 1 3   38 2  o 109.8757 20.09554 383.6543       124.7243 383.6543       124.7243 0.000000       0.000000 109.8757 20.09554 ?        ?        0.000000       20.09554 
1 1 1 3   38 3  o 202.4545 11.32437 1227.300       133.9237 1227.300       133.9237 0.000000       0.000000 202.4545 11.32437 ?        ?        0.000000       11.32437 
1 1 1 3   38 4  o 150.0938 13.88450 684.2205       120.8353 684.2205       120.8353 0.000000       0.000000 150.0938 13.88450 ?        ?        0.000000       13.88450 
1 1 1 3   38 5  o 76.06622 22.89257 186.1911       110.4441 191.2277       116.3910 140.6481       349.9949 77.06544 23.56521 88.98011 37.97748 -11.91467      44.69461 
1 1 1 3   38 6  o 139.7360 24.05712 635.4749       190.0408 635.4749       190.0408 0.000000       0.000000 139.7360 24.05712 ?        ?        0.000000       24.05712 
1 1 1 3   38 7  o 169.9481 11.23518 867.1465       111.3534 925.3881       117.1122 318.2547       359.5250 175.5111 11.43985 101.0293 40.29741 74.48174       41.88975 
1 1 1 3   38 8  o 67.44721 21.75291 142.5193       97.88966 143.8647       101.5737 124.9753       366.7961 67.88634 22.17861 88.27881 38.28751 -20.39246      44.24731 
1 1 1 3   38 9  o 126.2561 14.45673 489.4280       105.1185 436.0606       109.2317 1158.282       386.7019 118.4343 16.14610 175.9657 38.54041 -57.53132      41.78588 
1 1 1 3   38 10 o 55.55312 21.66550 69.39299       101.8482 69.39299       101.8482 0.000000       0.000000 55.55312 21.66550 ?        ?        0.000000       21.66550 
1 1 1 3   38 11 o 156.3059 11.67155 737.8094       106.2203 791.8156       110.0900 9.853780       404.1837 161.9547 11.66877 83.88132 38.02923 78.07342       39.77917 
1 1 1 3   38 12 o 81.90427 18.51700 216.6074       86.85077 171.3064       91.62194 617.8976       272.6934 72.50113 20.58892 128.4950 35.16808 -55.99385      40.75165 
1 1 1 3   38 13 o 86.03741 17.43603 236.8943       84.96333 158.2191       90.29243 844.9929       251.0265 69.78514 20.62668 156.5290 28.38995 -86.74382      35.09201 
1 1 1 3   38 14 o 154.6028 9.702603 716.7757       87.53075 681.4481       96.32256 884.2260       209.7073 150.2527 11.00726 164.5929 22.29752 -14.34018      24.86643 
1 1 1 3   38 15 o 140.1771 9.676484 589.9612       79.06278 577.6880       88.40038 639.0234       176.7457 138.2385 10.99422 139.3712 22.38089 -1.132675      24.93546 
1 1 1 3   38 16 o 149.5303 7.766537 665.8348       67.87598 617.3329       73.97414 924.1577       170.7191 143.6452 8.823461 171.4822 17.20739 -27.83698      19.33773 
1 1 1 3   38 17 o 198.5158 17.23580 1239.955       198.6808 1361.369       221.4543 739.0469       449.8109 207.0780 18.42701 124.9198 46.26458 82.15817       49.79925 
1 1 1 3   38 18 o 57.56138 26.08477 -40.01559      189.8996 -166.2105      212.5988 458.0818       422.3738 53.63506 25.39632 104.6748 42.97118 -51.03975      49.91488 
1 1 1 3   38 19 o 156.7268 19.66362 798.3998       176.7734 766.4626       196.7443 932.1895       402.6844 150.9864 22.93918 141.7555 43.92014 9.230896       49.54982 
1 1 1 3   38 20 o 81.48437 29.87572 231.6263       186.7800 231.6263       186.7800 0.000000       0.000000 81.48437 29.87572 ?        ?        0.000000       29.87572 
1 1 1 3   38 21 o 110.1857 42.80057 577.6243       396.2300 0.000000       0.000000 577.6243       396.2300 ?        ?        110.1857 42.80057 0.000000       42.80057 
1 1 1 3   38 22 o 122.5335 27.58330 547.3552       193.4277 538.4036       223.6486 573.9266       385.3213 117.5529 31.71433 109.1613 42.26099 8.391655       52.83739 
1 1 1 3   38 23 o 98.39223 31.27043 381.1837       202.8428 261.1646       236.1127 719.3242       396.3170 84.22736 32.94724 118.5245 43.50828 -34.29713      54.57555 
1 1 1 3   38 24 f 170.8188 21.41137 984.3738       209.8020 1100.798       243.9869 654.0247       410.9909 177.8973 23.99691 111.1526 43.47181 66.74464       49.65532 
1 1 1 3   38 25 o 97.22796 31.38907 381.8340       203.7930 195.8788       230.2564 1054.194       437.8330 77.05575 31.69032 138.5398 46.08277 -61.48405      55.92761 
1 1 1 3   38 26 o 92.16415 32.00006 348.0464       211.3915 324.7329       234.0481 451.2746       492.4944 88.83710 33.27987 95.29060 42.69511 -6.453506      54.13338 
1 1 1 3   38 27 f 65.86751 28.64429 84.25887       206.4408 60.01305       230.3835 183.0566       465.0575 66.12667 29.44347 83.46841 38.89449 -17.34174      48.78216 
1 1 1 3   38 28 o 69.94901 29.84633 133.5914       216.0584 257.2585       245.7293 -287.7400      453.5673 81.28649 32.99997 68.13988 33.40485 13.14661       46.95617 
1 1 1 3   38 29 f 81.75275 31.70818 267.4240       217.2141 426.4775       248.2126 -252.7223      448.8643 97.13636 34.59684 68.38020 33.46167 28.75616       48.13132 
1 1 1 3   38 30 o 62.50761 28.08984 38.24696       214.9264 0.5810452      246.2940 158.5116       440.0972 63.01448 28.98935 79.93089 37.43876 -16.91641      47.35022 
1 1 1 3   39 0  o 94.49759 33.67087 304.2625       235.1270 304.2625       235.1270 0.000000       0.000000 94.49759 33.67087 ?        ?        0.000000       33.67087 
1 1 1 3   39 1  o 239.2572 10.09580 1711.101       141.3445 1638.795       151.7077 2186.765       389.1066 233.6749 11.10168 257.4220 26.13532 -23.74712      28.39546 
1 1 1 3   39 2  o 137.0920 15.98768 582.2319       126.1330 582.2319       126.1330 0.000000       0.000000 137.0920 15.98768 ?        ?        0.000000       15.98768 
1 1 1 3   39 3  o 54.80066 22.49076 47.23903       115.6648 47.23903       115.6648 0.000000       0.000000 54.80066 22.49076 ?        ?        0.000000       22.49076 
1 1 1 3   39 4  o 155.7673 13.77142 740.5631       124.5126 740.5631       124.5126 0.000000       0.000000 155.7673 13.77142 ?        ?        0.000000       13.77142 
1 1 1 3   39 5  o 116.5916 16.72450 425.7565       111.0891 412.0544       117.0065 551.0370       353.8000 114.0701 18.09316 117.9946 41.37017 -3.924507      45.15366 
1 1 1 3   39 6  o 128.4532 15.14522 510.1666       111.9053 581.5779       118.9707 -38.05144      329.6349 137.3032 15.01908 75.21006 34.19461 62.09318       37.34761 
1 1 1 3   39 7  o 63.27857 22.09637 120.0139       100.8682 89.28245       105.7682 428.8228       335.2807 58.87046 22.30246 106.7886 39.86710 -47.91816      45.68135 
1 1 1 3   39 8  o 184.5484 15.68851 1052.039       168.1939 1157.888       194.7294 741.1085       333.7494 192.5480 17.43286 136.7272 39.44628 55.82074       43.12671 
1 1 1 3   39 9  o 120.6922 15.44950 453.2016       106.8520 406.5887       112.0119 924.4564       356.1552 113.3677 17.40217 153.0259 39.43748 -39.65816      43.10627 
1 1 1 3   39 10 o 78.56666 20.62565 203.4534       96.22726 158.7745       99.66253 818.2427       369.6954 69.92876 21.87883 140.3676 41.79996 -70.43889      47.17966 
1 1 1 3   39 11 o 105.1225 16.04780 347.5899       95.80696 347.5899       95.80696 0.000000       0.000000 105.1225 16.04780 ?        ?        0.000000       16.04780 
1 1 1 3   39 12 f 111.6409 14.03405 385.6903       89.86201 359.6288       96.11475 566.6673       253.2805 107.0222 15.78665 122.4001 34.04741 -15.37788      37.52925 
1 1 1 3   39 13 o 50.85544 19.30545 64.43999       79.34907 21.28568       84.21203 406.0468       236.9329 45.14656 18.91545 103.7039 33.87277 -58.55739      38.79637 
1 1 1 3   39 14 o 47.18952 18.89574 42.61242       79.36175 7.350667       86.11392 241.3815       204.4541 43.68296 18.74529 84.36756 31.20112 -40.68460      36.39912 
1 1 1 3   39 15 o 45.61544 17.55036 48.42032       66.15509 68.92197       72.32956 -56.51324      163.6359 50.45917 18.57609 52.50889 23.95799 -2.049725      30.31594 
1 1 1 3   39 16 o 116.3463 9.718202 408.7988       65.70637 410.8226       71.99232 398.7043       160.7841 116.2920 10.67465 106.2473 26.01513 10.04466       28.12001 
1 1 1 3   39 17 o 93.16359 29.81824 322.4742       184.1820 241.5172       199.4616 790.9747       479.8298 83.00181 30.79537 122.7089 47.25179 -39.70712      56.40113 
1 1 1 3   39 18 o 125.2059 26.06556 554.1711       185.1690 553.4985       202.4040 557.6238       458.5690 122.9520 28.60908 107.6640 44.54398 15.28799       52.94002 
1 1 1 3   39 19 o 156.3022 22.25100 822.3940       198.2154 867.2844       219.3071 622.1151       463.2274 158.6459 24.34715 110.4697 45.13555 48.17626       51.28354 
1 1 1 3   39 20 o 64.14143 27.38303 72.78058       182.0407 -51.22968      200.2825 662.0263       436.5786 57.26470 26.26956 112.9540 44.61376 -55.68926      51.77333 
1 1 1 3   39 21 o 69.93023 28.74948 133.2132       189.4153 291.6030       215.1919 -411.6638      399.1273 87.09956 32.04529 63.58417 31.20507 23.51540       44.72871 
1 1 1 3   39 22 o 107.1363 28.31455 434.4137       180.5639 433.1803       202.9287 439.1021       395.6514 104.5536 30.92751 97.15208 40.87084 7.401466       51.25365 
1 1 1 3   39 23 o 110.9010 44.21379 688.4102       432.5987 0.000000       0.000000 688.4102       432.5987 ?        ?        110.9010 44.21379 0.000000       44.21379 
1 1 1 3   39 24 o 51.80242 24.26479 -94.31813      184.9021 -108.8466      204.1972 -28.15808      435.7500 53.61041 25.23359 75.58906 35.95518 -21.97865      43.92618 
1 1 1 3   39 25 o 70.53007 28.81672 152.5553       188.8162 107.4100       208.4145 359.2985       446.0020 67.86628 29.14315 90.46447 40.57383 -22.59819      49.95557 
1 1 1 3   39 26 f 48.17121 23.06852 -161.0004      185.8354 37.50579       204.7618 -1088.332      442.5674 61.97211 27.66500 53.19443 27.01351 8.777683       38.66629 
1 1 1 3   39 27 o 129.7899 28.18385 647.2911       208.3726 471.6832       236.6325 1253.594       439.6906 103.2519 33.85886 149.6637 45.80930 -46.41186      56.96415 
1 1 1 3   39 28 o 59.86823 27.13645 9.907001       205.6651 -31.33578      228.8514 183.0603       468.9159 59.75786 27.65221 81.72697 38.39590 -21.96912      47.31691 
1 1 1 3   39 29 o 44.59504 21.89485 -278.1097      197.1311 -331.3704      217.0854 -27.69860      470.7106 45.51004 22.46565 74.37716 35.89716 -28.86712      42.34751 
1 1 1 3   40 0  o 193.4012 13.00735 1138.582       146.6782 1138.582       146.6782 0.000000       0.000000 193.4012 13.00735 ?        ?        0.000000       13.00735 
1 1 1 3   40 1  o 148.9005 27.43721 762.0681       230.7743 762.0681       230.7743 0.000000       0.000000 148.9005 27.43721 ?        ?        0.000000       27.43721 
1 1 1 3   40 2  o 104.0501 32.04382 395.7909       214.7328 395.7909       214.7328 0.000000       0.000000 104.0501 32.04382 ?        ?        0.000000       32.04382 
1 1 1 3   40 3  o 331.5668 14.13451 3359.649       274.2236 3359.649       274.2236 0.000000       0.000000 331.5668 14.13451 ?        ?        0.000000       14.13451 
1 1 1 3   40 4  o 65.96541 23.58578 131.0028       115.4697 131.0028       115.4697 0.000000       0.000000 65.96541 23.58578 ?        ?        0.000000       23.58578 
1 1 1 3   40 5  o 215.8325 10.48621 1400.038       132.3380 1400.038       132.3380 0.000000       0.000000 215.8325 10.48621 ?        ?        0.000000       10.48621 
1 1 1 3   40 6  o 137.4227 14.40933 583.1231       114.4073 639.9865       120.4021 54.37704       367.1485 144.0058 14.45131 81.64384 36.69939 62.36191       39.44218 
1 1 1 3   40 7  o 56.02718 22.70178 60.68082       116.0347 60.68082       116.0347 0.000000       0.000000 56.02718 22.70178 ?        ?        0.000000       22.70178 
1 1 1 3   40 8  o 147.4106 13.31609 666.1299       113.8812 690.6725       119.7723 434.8952       367.6405 149.8947 13.77851 105.0041 41.10115 44.89060       43.34919 
1 1 1 3   40 9  o 127.4485 15.33132 506.7998       112.2963 476.6552       117.8418 804.6589       370.4243 122.8310 16.79803 136.8456 42.07644 -14.01461      45.30564 
1 1 1 3   40 10 o 126.8780 14.16892 498.6366       103.6346 566.3699       108.1059 -269.7475      364.1140 135.4843 13.79768 67.21487 32.21546 68.26947       35.04585 
1 1 1 3   40 11 o 48.50991 19.89002 37.98278       90.35181 60.41373       93.55470 -272.8895      348.2834 52.27001 20.65016 65.35974 31.37391 -13.08973      37.55997 
1 1 1 3   40 12 o 53.47115 20.15591 75.48772       86.13954 21.86996       91.43810 498.3195       256.7773 46.50325 19.61050 111.9762 35.13078 -65.47301      40.23361 
1 1 1 3   40 13 o 173.4880 9.846518 906.7495       99.77364 1000.037       109.7414 462.0769       239.5959 181.9814 10.32473 108.2279 33.93228 73.75346       35.46829 
1 1 1 3   40 14 o 93.82758 15.22062 279.2511       80.88821 274.9969       87.44934 304.4523       212.8443 92.39243 16.75559 90.21473 32.04705 2.177696       36.16301 
1 1 1 3   40 15 o 96.97645 12.05883 290.1965       67.10660 325.5703       73.33591 108.1118       166.3843 102.6358 12.43677 66.39413 27.07965 36.24171       29.79901 
1 1 1 3   40 16 o 74.30545 24.66665 189.3973       125.4593 -54.88414      196.0583 358.7893       163.2625 56.72947 26.01178 99.13806 27.24306 -42.40859      37.66692 
1 1 1 3   40 17 o 66.25467 15.29551 142.0375       58.23059 140.0473       198.2148 142.2255       60.91866 71.67479 29.43205 66.11062 15.90605 5.564171       33.45516 
1 1 1 3   40 18 o 131.4555 26.13740 618.0810       194.4105 755.3878       218.9858 107.2635       422.3795 145.0875 26.71993 82.28842 37.89502 62.79906       46.36795 
1 1 1 3   40 19 o 118.4939 29.57861 536.0597       204.8989 624.4031       228.1655 167.9571       465.7441 126.7999 30.95596 85.52475 39.53063 41.27517       50.20898 
1 1 1 3   40 20 o 51.61669 24.54544 -151.6691      202.7889 -144.9867      229.9435 -175.0552      430.1639 55.43522 26.29651 71.63515 34.50922 -16.19992      43.38655 
1 1 1 3   40 21 o 104.6292 31.34581 442.6798       207.4175 352.4756       236.5005 743.2701       431.7241 91.96399 33.63393 114.3544 44.60378 -22.39046      55.86357 
1 1 1 3   40 22 o 133.7582 27.65914 668.9506       209.8062 777.0373       237.0361 277.9219       450.8507 142.5296 29.33542 87.37524 39.82827 55.15432       49.46572 
1 1 1 3   40 23 o 57.96968 26.73772 -41.81546      211.4480 67.61666       228.4638 -695.4463      558.3561 66.47575 29.47541 66.79829 33.46077 -0.3225403     44.59173 
1 1 1 3   40 24 o 84.35081 32.01079 288.6073       218.1185 316.0722       240.2463 159.7780       520.3250 86.78098 33.43037 83.15163 39.47694 3.629356       51.73025 
1 1 1 3   40 25 o 70.69004 31.00691 122.7178       246.4521 122.7178       246.4521 0.000000       0.000000 70.69004 31.00691 ?        ?        0.000000       31.00691 
1 1 1 3   40 26 o 96.46037 42.78486 550.0319       481.7660 0.000000       0.000000 550.0319       481.7660 ?        ?        96.46037 42.78486 0.000000       42.78486 
1 1 1 3   40 27 o 113.7405 35.17362 593.1806       258.4097 828.0158       285.0400 -490.3601      612.2755 136.3401 35.35467 70.72272 35.36930 65.61735       50.00940 
1 1 1 3   41 0  o 191.7347 12.04741 1117.267       134.7857 1010.192       143.3683 1932.113       395.5000 181.4243 13.57270 233.9733 29.47504 -52.54900      32.44990 
1 1 1 3   41 1  o 156.3665 15.08827 759.6904       136.6510 759.6904       136.6510 0.000000       0.000000 156.3665 15.08827 ?        ?        0.000000       15.08827 
1 1 1 3   41 2  o 76.41226 24.21577 196.6782       121.7177 196.6782       121.7177 0.000000       0.000000 76.41226 24.21577 ?        ?        0.000000       24.21577 
1 1 1 3   41 3  o 106.9081 21.00880 378.3831       127.0237 378.3831       127.0237 0.000000       0.000000 106.9081 21.00880 ?        ?        0.000000       21.00880 
1 1 1 3   41 4  o 81.03733 23.01130 223.1228       114.4540 223.1228       114.4540 0.000000       0.000000 81.03733 23.01130 ?        ?        0.000000       23.01130 
1 1 1 3   41 5  o 52.09774 21.88482 34.51056       113.1806 34.51056       113.1806 0.000000       0.000000 52.09774 21.88482 ?        ?        0.000000       21.88482 
1 1 1 3   41 6  o 59.53610 23.09937 91.15353       115.3084 91.15353       115.3084 0.000000       0.000000 59.53610 23.09937 ?        ?        0.000000       23.09937 
1 1 1 3   41 7  o 72.73302 23.35535 177.1953       112.9269 209.4083       118.7959 -124.8683      363.7766 78.27222 23.78232 71.73320 33.73763 6.539024       41.27743 
1 1 1 3   41 8  o 112.5393 18.00834 408.6963       114.8523 300.2749       120.4183 1500.846       382.1871 93.98660 22.20203 198.7398 34.01199 -104.7532      40.61706 
1 1 1 3   41 9  o 219.5299 9.993453 1451.984       128.3274 1472.014       135.2108 1270.151       407.3861 220.7532 10.47356 172.6020 40.87891 48.15118       42.19930 
1 1 1 3   41 10 o 112.1943 16.59876 402.0571       105.9271 406.0520       110.0571 351.8062       390.3379 112.4090 17.24377 95.65937 40.43781 16.74963       43.96094 
1 1 1 3   41 11 o 153.7121 11.97712 722.9531       107.1203 753.8867       111.5949 360.2623       382.1177 156.8468 12.22818 95.75633 40.21750 61.09042       42.03541 
1 1 1 3   41 12 o 103.2217 15.73628 339.1246       92.25446 320.9343       97.79526 486.1442       278.0261 99.53260 17.38573 107.4213 36.72301 -7.888657      40.63057 
1 1 1 3   41 13 o 45.31161 19.48548 11.45961       93.42137 -22.72300      100.5341 227.7116       252.8662 43.12765 19.30925 82.52340 33.48544 -39.39575      38.65387 
1 1 1 3   41 14 o 81.39772 17.55107 217.8017       81.31686 153.7772       87.79995 603.9368       215.6208 67.68430 20.42042 126.9346 29.52327 -59.25032      35.89732 
1 1 1 3   41 15 o 99.39066 12.34072 306.3970       70.38984 346.3260       77.24744 110.9902       170.8874 105.5691 12.73351 66.46462 27.31409 39.10444       30.13639 
1 1 1 3   41 16 o 139.3915 17.02378 625.9560       136.2850 809.0850       222.1050 515.3679       172.5973 150.3827 26.13097 120.0775 25.30805 30.30521       36.37753 
1 1 1 3   41 17 o 152.3665 10.29519 706.0241       91.45703 663.1804       224.7573 714.5259       100.1209 131.7557 29.78833 152.7577 11.25462 -21.00204      31.84354 
1 1 1 3   41 18 o 59.26670 26.70716 0.2254891      195.8121 -40.45167      222.1488 141.9133       414.6054 59.72179 27.49534 81.61184 37.56938 -21.89005      46.55590 
1 1 1 3   41 19 o 79.43994 30.38291 233.9634       197.4669 281.0690       229.9135 101.5054       385.5379 84.49441 32.66259 78.08389 36.04688 6.410515       48.64383 
1 1 1 3   41 20 o 156.2087 24.55227 868.4377       217.5175 1025.374       257.3822 476.2264       406.8904 166.6443 27.27817 96.96754 41.15154 69.67676       49.37153 
1 1 1 3   41 21 o 86.49287 31.40502 302.2053       205.6610 180.8347       239.9615 638.0588       399.1718 75.35148 31.77175 107.1647 42.55380 -31.81318      53.10621 
1 1 1 3   41 22 f 69.33065 28.50143 146.8808       186.1478 14.80276       213.9259 558.6969       377.7458 61.28062 27.73639 101.5883 41.03337 -40.30764      49.52822 
1 1 1 3   41 23 o 142.7988 26.69786 761.7030       215.3713 441.1517       246.8008 1785.307       441.0256 98.73595 34.55747 197.1271 39.52467 -98.39113      52.50161 
1 1 1 3   41 24 o 80.06820 32.77779 250.3506       244.8854 162.3693       275.3950 582.7369       535.2816 74.49850 32.72412 96.56411 43.77325 -22.06561      54.65314 
1 1 1 3   41 25 o 73.76200 31.42952 178.2686       238.9991 103.6333       258.6774 613.5812       624.7224 69.62798 31.08784 95.17406 44.58726 -25.54607      54.35510 
1 1 1 3   42 0  o 100.8446 22.83413 349.0325       131.8970 349.0325       131.8970 0.000000       0.000000 100.8446 22.83413 ?        ?        0.000000       22.83413 
1 1 1 3   42 1  o 91.07929 24.38254 291.0770       132.8198 291.0770       132.8198 0.000000       0.000000 91.07929 24.38254 ?        ?        0.000000       24.38254 
1 1 1 3   42 2  o 99.90009 31.82662 385.0126       210.0179 385.0126       210.0179 0.000000       0.000000 99.90009 31.82662 ?        ?        0.000000       31.82662 
1 1 1 3   42 3  o 135.4510 16.68980 584.0699       129.7813 584.0699       129.7813 0.000000       0.000000 135.4510 16.68980 ?        ?        0.000000       16.68980 
1 1 1 3   42 4  o 63.95560 23.92180 121.9521       120.8324 121.9521       120.8324 0.000000       0.000000 63.95560 23.92180 ?        ?        0.000000       23.92180 
1 1 1 3   42 5  o 46.12167 20.69335 -25.55892      116.1288 -25.55892      116.1288 0.000000       0.000000 46.12167 20.69335 ?        ?        0.000000       20.69335 
1 1 1 3   42 6  o 104.8284 20.48492 367.2440       121.4228 367.2440       121.4228 0.000000       0.000000 104.8284 20.48492 ?        ?        0.000000       20.48492 
1 1 1 3   42 7  o 166.1893 12.35220 847.4158       119.5312 846.8831       125.6900 852.4551       386.5956 165.7233 13.03693 133.6882 43.23888 32.03508       45.16151 
1 1 1 3   42 8  f 109.7576 18.48084 393.8922       114.7397 393.8922       114.7397 0.000000       0.000000 109.7576 18.48084 ?        ?        0.000000       18.48084 
1 1 1 3   42 9  o 125.9478 15.13347 500.5829       109.5475 436.1992       113.8834 1298.129       400.8214 116.2902 17.21763 173.0631 40.25303 -56.77287      43.78074 
1 1 1 3   42 10 o 52.72127 21.47751 56.05704       104.5136 6.910124       107.8776 807.4343       421.8053 47.50742 20.68261 124.4667 45.00626 -76.95924      49.53114 
1 1 1 3   42 11 o 71.55408 22.09366 175.2119       102.0015 124.1596       105.6244 881.3411       392.8250 62.76191 22.54392 133.3636 43.61858 -70.60167      49.09999 
1 1 1 3   42 12 o 63.03310 21.32191 130.1815       93.69536 138.3241       99.00399 60.30340       290.0276 64.69267 21.91740 72.12300 32.50169 -7.430336      39.20118 
1 1 1 3   42 13 o 116.3284 14.54686 427.6168       97.08087 440.6770       105.1793 352.4704       252.2953 117.4683 15.65670 92.48260 34.57174 24.98567       37.95178 
1 1 1 3   42 14 o 180.4023 9.107007 981.4614       96.04199 1035.196       107.8475 775.5428       211.1208 184.7726 9.989414 147.5187 25.31361 37.25388       27.21336 
1 1 1 3   42 15 o 119.0239 10.95258 434.5521       75.59748 374.0092       84.09058 689.6689       172.6177 109.1595 13.41706 142.4549 21.31545 -33.29544      25.18662 
1 1 1 3   42 16 o 85.61772 24.33736 266.2903       127.9583 464.2489       235.7356 183.6011       152.3569 104.2524 33.76811 72.60358 26.91880 31.64879       43.18457 
1 1 1 3   42 17 o 78.53063 16.03650 202.0634       71.35801 305.2890       235.2491 191.6033       74.88622 86.58379 33.15066 75.86439 17.22580 10.71940       37.35899 
1 1 1 3   42 18 f 72.36796 29.62561 166.7689       200.0506 204.4678       233.0807 61.31094       389.8354 77.06557 31.80845 76.03172 35.48924 1.033852       47.65778 
1 1 1 3   42 19 o 64.45044 28.44909 64.63136       210.5211 72.20156       246.6522 44.32010       404.0172 67.82029 30.31339 75.55601 35.54154 -7.735718      46.71299 
1 1 1 3   42 20 o 64.32310 28.59901 59.61911       216.5574 183.0105       266.6792 -179.2968      371.0814 75.84042 32.76985 65.66687 31.73724 10.17355       45.61924 
1 1 1 3   42 21 o 79.94174 30.45727 251.0991       197.9423 281.1904       238.8185 185.0594       353.7931 82.82286 32.90618 78.69674 35.63918 4.126122       48.50740 
1 1 1 3   42 22 o 92.20956 31.11400 357.4360       199.5135 33.36956       236.6521 1153.781       370.9745 64.04574 29.06134 153.7407 40.56326 -89.69498      49.89930 
1 1 1 3   42 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   43 0  f 91.61435 24.36136 298.3439       133.1454 298.3439       133.1454 0.000000       0.000000 91.61435 24.36136 ?        ?        0.000000       24.36136 
1 1 1 3   43 1  o 110.6292 20.65044 411.5269       129.0565 411.5269       129.0565 0.000000       0.000000 110.6292 20.65044 ?        ?        0.000000       20.65044 
1 1 1 3   43 2  o 156.9262 14.67273 772.3472       133.4727 772.3472       133.4727 0.000000       0.000000 156.9262 14.67273 ?        ?        0.000000       14.67273 
1 1 1 3   43 3  o 53.60322 25.14633 -112.1061      199.8615 -112.1061      199.8615 0.000000       0.000000 53.60322 25.14633 ?        ?        0.000000       25.14633 
1 1 1 3   43 4  o 44.92828 20.71391 -62.05030      126.7160 -62.05030      126.7160 0.000000       0.000000 44.92828 20.71391 ?        ?        0.000000       20.71391 
1 1 1 3   43 5  o 61.97833 23.97573 109.3317       123.9467 109.3317       123.9467 0.000000       0.000000 61.97833 23.97573 ?        ?        0.000000       23.97573 
1 1 1 3   43 6  o 161.8509 14.47730 821.2695       135.9714 821.2695       135.9714 0.000000       0.000000 161.8509 14.47730 ?        ?        0.000000       14.47730 
1 1 1 3   43 7  o 130.8933 16.84991 551.9517       126.3525 551.9517       126.3525 0.000000       0.000000 130.8933 16.84991 ?        ?        0.000000       16.84991 
1 1 1 3   43 8  o 143.3501 14.97774 649.4421       124.0641 598.3492       131.9265 1040.167       364.8272 136.2619 16.86838 151.0206 40.40172 -14.75876      43.78175 
1 1 1 3   43 9  o 169.8680 12.99574 894.9794       128.4851 895.0893       136.2878 894.1011       385.2560 169.2591 13.85051 132.9530 43.17678 36.30608       45.34393 
1 1 1 3   43 10 o 158.7236 13.67012 787.1362       126.0133 754.1576       132.6938 1090.138       402.2144 154.5201 14.82412 148.0797 43.47266 6.440399       45.93067 
1 1 1 3   43 11 o 51.11391 21.49380 40.59387       109.3496 -69.06306      117.9226 713.5521       292.1280 42.41113 19.70260 126.8033 36.99973 -84.39219      41.91864 
1 1 1 3   43 12 o 74.93105 21.54782 196.1216       99.74205 207.9964       105.4958 96.08065       306.2039 76.84939 22.17943 73.86973 33.33261 2.979660       40.03736 
1 1 1 3   43 13 o 119.5006 14.28041 452.2710       98.10445 416.0024       105.2860 691.2502       270.2622 113.3164 16.31195 126.4361 35.17036 -13.11970      38.76898 
1 1 1 3   43 14 f 44.07994 18.73088 20.23855       84.48379 28.78884       92.95480 -20.36318      202.5600 46.76566 19.74950 58.25753 26.60940 -11.49187      33.13763 
1 1 1 3   43 15 o 117.7098 21.25043 477.3663       141.3032 234.6423       238.0359 609.4398       175.5876 79.69740 32.43315 131.0302 23.72238 -51.33283      40.18284 
1 1 1 3   43 16 o 42.40915 19.97809 -94.74659      128.4777 -199.0778      242.2733 -53.92768      151.5407 53.80097 25.91291 49.07432 22.63503 4.726650       34.40673 
1 1 1 3   43 17 o 56.03428 18.97721 102.0218       74.22276 305.1252       259.7690 83.96654       77.45162 85.16992 34.15815 52.75313 19.25478 32.41679       39.21130 
1 1 1 3   43 18 o 61.58856 28.23038 -1.298254      230.6698 218.8928       290.4908 -377.0980      379.4991 78.72396 34.10853 60.63100 29.88706 18.09296       45.35006 
1 1 1 3   43 19 o 139.7531 27.33987 740.9139       216.0535 1114.547       274.2233 129.3680       350.8296 170.5201 28.42045 75.69341 34.73999 94.82672       44.88417 
1 1 1 3   43 20 o 56.39701 26.25885 -55.74148      211.3048 -116.9070      262.6396 56.50852       355.7952 58.75154 27.93699 72.58211 33.88742 -13.83057      43.91848 
1 1 1 3   43 21 o 63.07390 28.20936 54.70627       213.9529 -5.967854      266.4287 164.8841       359.0263 63.82452 29.63841 76.87505 35.23067 -13.05052      46.03950 
1 1 1 3   44 0  o 95.74258 24.35092 330.4429       137.0280 330.4429       137.0280 0.000000       0.000000 95.74258 24.35092 ?        ?        0.000000       24.35092 
1 1 1 3   44 1  o 70.27544 25.68658 167.7224       137.9090 167.7224       137.9090 0.000000       0.000000 70.27544 25.68658 ?        ?        0.000000       25.68658 
1 1 1 3   44 2  o 51.64531 22.62663 13.57674       130.8912 13.57674       130.8912 0.000000       0.000000 51.64531 22.62663 ?        ?        0.000000       22.62663 
1 1 1 3   44 3  o 48.69360 21.94536 -22.43967      132.2586 -22.43967      132.2586 0.000000       0.000000 48.69360 21.94536 ?        ?        0.000000       21.94536 
1 1 1 3   44 4  o 67.28330 25.16611 147.6422       133.7286 147.6422       133.7286 0.000000       0.000000 67.28330 25.16611 ?        ?        0.000000       25.16611 
1 1 1 3   44 5  o 109.8902 22.20731 420.0187       138.1921 420.0187       138.1921 0.000000       0.000000 109.8902 22.20731 ?        ?        0.000000       22.20731 
1 1 1 3   44 6  o 78.79165 25.35226 226.4730       133.0163 226.4730       133.0163 0.000000       0.000000 78.79165 25.35226 ?        ?        0.000000       25.35226 
1 1 1 3   44 7  o 181.1410 13.73351 1027.361       144.8106 1027.361       144.8106 0.000000       0.000000 181.1410 13.73351 ?        ?        0.000000       13.73351 
1 1 1 3   44 8  o 92.00330 22.54206 300.0615       120.6607 263.8707       127.0673 632.0510       384.8548 85.10411 24.27266 108.1293 42.13095 -23.02519      48.62283 
1 1 1 3   44 9  o 171.4297 20.80265 996.0073       204.8739 1010.188       241.1849 959.2595       388.2585 167.5413 25.33630 135.2550 43.29343 32.28622       50.16223 
1 1 1 3   44 10 o 120.3300 17.71833 476.6621       121.3003 478.0739       128.0906 464.3954       377.5673 119.6659 18.87637 96.33436 40.18453 23.33157       44.39723 
1 1 1 3   44 11 o 67.08880 23.06508 155.0275       109.7179 185.3767       120.1028 1.950297       269.7336 72.11832 24.13898 65.77663 30.28815 6.341682       38.73064 
1 1 1 3   44 12 o 71.61118 22.27165 181.1540       103.4380 192.1514       111.6490 114.5293       274.8071 73.32447 23.18700 72.24352 32.16270 1.080948       39.64942 
1 1 1 3   44 13 o 81.70503 20.39564 232.5007       97.42130 215.0920       106.7951 318.8123       237.7950 77.56009 22.29442 86.81605 33.30688 -9.255959      40.07978 
1 1 1 3   44 14 o 114.5153 13.48846 414.5009       88.85353 384.8578       99.88792 526.8729       194.4822 108.6480 16.16809 115.8130 28.76377 -7.165054      32.99638 
1 1 1 3   44 15 o 96.93375 24.62955 348.3763       140.2789 636.6061       269.1224 240.8507       164.3752 117.7503 35.79921 78.96980 28.15120 38.78053       45.54199 
1 1 1 3   44 16 o 135.1498 11.32675 564.6401       88.95322 1136.948       288.3025 504.4254       93.51575 169.8837 30.03492 126.8356 12.74420 43.04807       32.62685 
1 1 1 3   44 17 o 103.1355 15.14027 343.9386       88.85355 433.3203       290.7754 334.7330       93.31709 94.53502 36.68078 100.9997 16.30950 -6.464661      40.14324 
1 1 1 3   44 18 o 63.23662 28.24332 56.62869       213.6877 159.0291       266.4629 -127.8955      357.6948 73.25680 32.18354 65.54164 31.54701 7.715157       45.06656 
1 1 1 3   45 0  o 79.57533 26.65225 237.1009       146.4113 237.1009       146.4113 0.000000       0.000000 79.57533 26.65225 ?        ?        0.000000       26.65225 
1 1 1 3   45 1  o 83.89714 26.77685 266.7496       148.6063 266.7496       148.6063 0.000000       0.000000 83.89714 26.77685 ?        ?        0.000000       26.77685 
1 1 1 3   45 2  o 182.8071 25.14293 1202.056       262.4298 1202.056       262.4298 0.000000       0.000000 182.8071 25.14293 ?        ?        0.000000       25.14293 
1 1 1 3   45 3  o 84.95569 25.93768 270.8058       141.0774 270.8058       141.0774 0.000000       0.000000 84.95569 25.93768 ?        ?        0.000000       25.93768 
1 1 1 3   45 4  o 77.91064 31.60158 219.9889       225.1146 219.9889       225.1146 0.000000       0.000000 77.91064 31.60158 ?        ?        0.000000       31.60158 
1 1 1 3   45 5  o 53.71510 23.30275 32.17464       135.9409 32.17464       135.9409 0.000000       0.000000 53.71510 23.30275 ?        ?        0.000000       23.30275 
1 1 1 3   45 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   45 7  o 137.8572 16.40562 616.6072       130.0406 616.6072       130.0406 0.000000       0.000000 137.8572 16.40562 ?        ?        0.000000       16.40562 
1 1 1 3   45 8  o 73.82228 24.71960 198.4519       125.9484 198.4519       125.9484 0.000000       0.000000 73.82228 24.71960 ?        ?        0.000000       24.71960 
1 1 1 3   45 9  o 66.49467 22.84756 153.6660       107.6535 143.1884       111.9488 282.3978       392.4029 64.89040 23.22089 84.40730 37.94117 -19.51690      44.48305 
1 1 1 3   45 10 o 69.77740 23.13401 173.5575       110.3621 173.5575       110.3621 0.000000       0.000000 69.77740 23.13401 ?        ?        0.000000       23.13401 
1 1 1 3   45 11 o 103.0863 18.73586 359.2144       109.1015 463.4339       125.9694 46.35239       218.2564 117.1750 18.97938 63.26346 28.37788 53.91154       34.13973 
1 1 1 3   45 12 o 66.66178 22.23213 155.8006       101.8913 126.7567       113.4439 277.0089       231.7501 62.27038 23.20131 82.09905 32.48034 -19.82867      39.91582 
1 1 1 3   45 13 o 54.45513 21.05683 84.25909       95.57531 129.1186       107.4480 -85.74226      209.1689 62.30398 22.68835 54.53152 25.62705 7.772465       34.22729 
1 1 1 3   45 14 f 102.1379 15.72577 340.0838       91.18170 332.5086       106.5502 360.8091       176.2416 98.72861 19.09243 94.27902 29.02934 4.449585       34.74512 
1 1 1 3   45 15 o 90.11206 17.69344 273.4732       90.16844 82.18705       314.5008 290.6049       94.11964 71.07677 32.72016 92.79478 17.94352 -21.71801      37.31728 
1 1 1 3   46 0  o 84.82829 27.22410 280.6466       153.4528 280.6466       153.4528 0.000000       0.000000 84.82829 27.22410 ?        ?        0.000000       27.22410 
1 1 1 3   46 1  o 49.05476 22.80300 -64.98206      158.3313 -64.98206      158.3313 0.000000       0.000000 49.05476 22.80300 ?        ?        0.000000       22.80300 
1 1 1 3   46 2  o 97.57076 25.89596 361.6998       150.6285 361.6998       150.6285 0.000000       0.000000 97.57076 25.89596 ?        ?        0.000000       25.89596 
1 1 1 3   46 3  o 46.49731 21.79861 -84.57642      149.7722 -84.57642      149.7722 0.000000       0.000000 46.49731 21.79861 ?        ?        0.000000       21.79861 
1 1 1 3   46 4  o 61.92358 25.90664 96.69724       157.6151 96.69724       157.6151 0.000000       0.000000 61.92358 25.90664 ?        ?        0.000000       25.90664 
1 1 1 3   46 5  o 98.62714 25.98344 370.2035       152.3651 370.2035       152.3651 0.000000       0.000000 98.62714 25.98344 ?        ?        0.000000       25.98344 
1 1 1 3   46 6  o 97.50840 25.21778 357.4385       145.2797 357.4385       145.2797 0.000000       0.000000 97.50840 25.21778 ?        ?        0.000000       25.21778 
1 1 1 3   46 7  o 178.6934 14.14658 1012.268       147.0466 1012.268       147.0466 0.000000       0.000000 178.6934 14.14658 ?        ?        0.000000       14.14658 
1 1 1 3   46 8  o 71.60741 24.97691 187.0153       128.8609 187.0153       128.8609 0.000000       0.000000 71.60741 24.97691 ?        ?        0.000000       24.97691 
1 1 1 3   46 9  o 65.38911 23.19057 148.2156       111.4174 148.2156       111.4174 0.000000       0.000000 65.38911 23.19057 ?        ?        0.000000       23.19057 
1 1 1 3   46 10 o 144.6893 14.83126 671.1402       124.0742 694.9513       129.7876 418.4170       422.8304 146.8671 15.29178 89.60194 39.89268 57.26511       42.72311 
1 1 1 3   46 11 o 81.32881 23.25043 243.9708       116.4559 235.0787       123.3160 317.2870       354.0931 79.23180 24.26157 84.16917 37.03455 -4.937370      44.27393 
1 1 1 3   47 0  o 48.56638 22.27872 -36.85017      144.0385 -36.85017      144.0385 0.000000       0.000000 48.56638 22.27872 ?        ?        0.000000       22.27872 
1 1 1 3   47 1  o 45.49878 21.51914 -103.2669      151.8161 -103.2669      151.8161 0.000000       0.000000 45.49878 21.51914 ?        ?        0.000000       21.51914 
1 1 1 3   47 2  o 55.05251 24.85527 3.817069       170.5302 3.817069       170.5302 0.000000       0.000000 55.05251 24.85527 ?        ?        0.000000       24.85527 
1 1 1 3   47 3  o 112.0013 26.49638 481.9201       171.3056 481.9201       171.3056 0.000000       0.000000 112.0013 26.49638 ?        ?        0.000000       26.49638 
1 1 1 3   47 4  o 122.9577 22.37889 539.2967       155.4348 539.2967       155.4348 0.000000       0.000000 122.9577 22.37889 ?        ?        0.000000       22.37889 
1 1 1 3   47 5  o 61.17215 25.33879 101.6060       148.6296 101.6060       148.6296 0.000000       0.000000 61.17215 25.33879 ?        ?        0.000000       25.33879 
1 1 1 4   0  0  o 282.7521 8.908127 2352.401       147.3889 2352.401       147.3889 2352.401       147.3889 282.7521 8.908127 282.7521 8.908127 0.000000       0.000000 
1 1 1 4   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  4  o 668.1105 16.62270 13133.49       650.4179 13133.49       650.4179 13133.49       650.4179 668.1105 16.62270 668.1105 16.62270 0.000000       0.000000 
1 1 1 4   0  5  o 998.4530 16.94638 29304.76       991.6833 29304.76       991.6833 29304.76       991.6833 998.4530 16.94638 998.4530 16.94638 0.000000       0.000000 
1 1 1 4   0  6  o 148.8623 6.586656 653.7899       57.24734 653.7899       57.24734 653.7899       57.24734 148.8623 6.586656 148.8623 6.586656 0.000000       0.000000 
1 1 1 4   0  7  f 618.6306 10.93608 11241.59       396.4948 11241.59       396.4948 11241.59       396.4948 618.6306 10.93608 618.6306 10.93608 0.000000       0.000000 
1 1 1 4   0  8  o 428.0258 8.141026 5380.777       204.1950 5380.777       204.1950 5380.777       204.1950 428.0258 8.141026 428.0258 8.141026 0.000000       0.000000 
1 1 1 4   0  9  o 329.7738 6.955566 3194.597       134.3887 3194.597       134.3887 3194.597       134.3887 329.7738 6.955566 329.7738 6.955566 0.000000       0.000000 
1 1 1 4   0  10 o 1039.625 17.65483 31825.07       1075.743 31825.07       1075.743 31825.07       1075.743 1039.625 17.65483 1039.625 17.65483 0.000000       0.000000 
1 1 1 4   0  11 o 162.0247 6.751832 774.2058       63.90446 774.2058       63.90446 774.2058       63.90446 162.0247 6.751832 162.0247 6.751832 0.000000       0.000000 
1 1 1 4   0  12 o 215.0704 6.550264 1360.769       82.44731 1360.769       82.44731 1360.769       82.44731 215.0704 6.550264 215.0704 6.550264 0.000000       0.000000 
1 1 1 4   0  13 o 256.8169 6.746328 1938.838       101.4527 1938.838       101.4527 1938.838       101.4527 256.8169 6.746328 256.8169 6.746328 0.000000       0.000000 
1 1 1 4   0  14 o 986.2985 16.80887 28607.45       971.6570 28607.45       971.6570 28607.45       971.6570 986.2985 16.80887 986.2985 16.80887 0.000000       0.000000 
1 1 1 4   0  15 o 130.0776 9.347992 504.0511       70.45032 504.0511       70.45032 504.0511       70.45032 130.0776 9.347992 130.0776 9.347992 0.000000       0.000000 
1 1 1 4   0  16 o 718.2437 12.60617 15153.30       530.6447 15153.30       530.6447 15153.30       530.6447 718.2437 12.60617 718.2437 12.60617 0.000000       0.000000 
1 1 1 4   0  17 o 21.63271 15.09792 -68.24921      69.84946 -68.24921      69.84946 -68.24921      69.84946 21.63271 15.09792 21.63271 15.09792 0.000000       0.000000 
1 1 1 4   0  18 o 549.1918 10.18606 8858.093       327.8264 8858.093       327.8264 8858.093       327.8264 549.1918 10.18606 549.1918 10.18606 0.000000       0.000000 
1 1 1 4   0  19 o 555.7076 10.42893 9070.265       339.6186 9070.265       339.6186 9070.265       339.6186 555.7076 10.42893 555.7076 10.42893 0.000000       0.000000 
1 1 1 4   0  20 o 458.5439 9.478115 6176.715       254.6446 6176.715       254.6446 6176.715       254.6446 458.5439 9.478115 458.5439 9.478115 0.000000       0.000000 
1 1 1 4   0  21 f 215.2747 9.735559 1368.067       122.3408 1368.067       122.3408 1368.067       122.3408 215.2747 9.735559 215.2747 9.735559 0.000000       0.000000 
1 1 1 4   0  22 o 1413.470 23.81325 58862.14       1972.776 58862.14       1972.776 58862.14       1972.776 1413.470 23.81325 1413.470 23.81325 0.000000       0.000000 
1 1 1 4   0  23 o 483.9239 9.467426 6879.971       268.4630 6879.971       268.4630 6879.971       268.4630 483.9239 9.467426 483.9239 9.467426 0.000000       0.000000 
1 1 1 4   0  24 o 179.0235 10.25765 949.9702       106.8826 949.9702       106.8826 949.9702       106.8826 179.0235 10.25765 179.0235 10.25765 0.000000       0.000000 
1 1 1 4   0  25 o 144.3993 11.88045 624.7000       98.99126 624.7000       98.99126 624.7000       98.99126 144.3993 11.88045 144.3993 11.88045 0.000000       0.000000 
1 1 1 4   0  26 o 21.28584 15.15510 -117.3350      82.56271 -117.3350      82.56271 -117.3350      82.56271 21.28584 15.15510 21.28584 15.15510 0.000000       0.000000 
1 1 1 4   0  27 o ?        ?        -375.4914      78.17942 -375.4914      78.17942 -375.4914      78.17942 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 4   0  28 o 61.58265 23.60435 152.1976       80.51397 152.1976       80.51397 152.1976       80.51397 61.58265 23.60435 61.58265 23.60435 0.000000       0.000000 
1 1 1 4   0  29 o 123.9189 14.53811 470.3351       101.8519 470.3351       101.8519 470.3351       101.8519 123.9189 14.53811 123.9189 14.53811 0.000000       0.000000 
1 1 1 4   0  30 o 29.87437 19.09974 5.030760       74.83066 5.030760       74.83066 5.030760       74.83066 29.87437 19.09974 29.87437 19.09974 0.000000       0.000000 
1 1 1 4   0  31 o 143.6391 10.30433 615.7914       85.75792 615.7914       85.75792 615.7914       85.75792 143.6391 10.30433 143.6391 10.30433 0.000000       0.000000 
1 1 1 4   0  32 o 116.6005 13.31954 415.6370       88.01145 415.6370       88.01145 415.6370       88.01145 116.6005 13.31954 116.6005 13.31954 0.000000       0.000000 
1 1 1 4   0  33 o 563.1638 10.60759 9334.945       350.0695 9334.945       350.0695 9334.945       350.0695 563.1638 10.60759 563.1638 10.60759 0.000000       0.000000 
1 1 1 4   0  34 o 319.3341 9.101221 3003.487       170.1363 3003.487       170.1363 3003.487       170.1363 319.3341 9.101221 319.3341 9.101221 0.000000       0.000000 
1 1 1 4   0  35 o 36.04700 22.84487 14.85595       104.3008 14.85595       104.3008 14.85595       104.3008 36.04700 22.84487 36.04700 22.84487 0.000000       0.000000 
1 1 1 4   0  36 o 182.7257 11.56949 994.5479       122.8301 994.5479       122.8301 994.5479       122.8301 182.7257 11.56949 182.7257 11.56949 0.000000       0.000000 
1 1 1 4   0  37 o 185.0732 11.90022 1021.508       127.9256 1021.508       127.9256 1021.508       127.9256 185.0732 11.90022 185.0732 11.90022 0.000000       0.000000 
1 1 1 4   0  38 o 32.49920 21.60257 -29.03288      110.0634 -29.03288      110.0634 -29.03288      110.0634 32.49920 21.60257 32.49920 21.60257 0.000000       0.000000 
1 1 1 4   0  39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  40 o 232.2226 12.11168 1605.176       163.9224 1605.176       163.9224 1605.176       163.9224 232.2226 12.11168 232.2226 12.11168 0.000000       0.000000 
1 1 1 4   0  41 o 95.11655 24.54981 319.7336       118.3459 319.7336       118.3459 319.7336       118.3459 95.11655 24.54981 95.11655 24.54981 0.000000       0.000000 
1 1 1 4   0  42 o 45.64255 26.32774 83.48194       113.5412 83.48194       113.5412 83.48194       113.5412 45.64255 26.32774 45.64255 26.32774 0.000000       0.000000 
1 1 1 4   0  43 o 42.64472 25.20359 67.62836       108.2934 67.62836       108.2934 67.62836       108.2934 42.64472 25.20359 42.64472 25.20359 0.000000       0.000000 
1 1 1 4   0  44 o 89.90822 24.94904 295.9303       113.7866 295.9303       113.7866 295.9303       113.7866 89.90822 24.94904 89.90822 24.94904 0.000000       0.000000 
1 1 1 4   0  45 o 68.85535 27.92562 204.6038       110.3841 204.6038       110.3841 204.6038       110.3841 68.85535 27.92562 68.85535 27.92562 0.000000       0.000000 
1 1 1 4   0  46 o 60.87946 29.06875 173.9155       118.9037 173.9155       118.9037 173.9155       118.9037 60.87946 29.06875 60.87946 29.06875 0.000000       0.000000 
1 1 1 4   0  47 o 116.1938 20.74302 449.8210       127.9431 449.8210       127.9431 449.8210       127.9431 116.1938 20.74302 116.1938 20.74302 0.000000       0.000000 
1 1 1 4   0  48 o 45.93886 27.62714 82.87451       134.4689 82.87451       134.4689 82.87451       134.4689 45.93886 27.62714 45.93886 27.62714 0.000000       0.000000 
1 1 1 4   0  49 f 44.41995 27.54433 65.17268       143.0774 65.17268       143.0774 65.17268       143.0774 44.41995 27.54433 44.41995 27.54433 0.000000       0.000000 
1 1 1 4   0  50 o 81.35567 32.70170 301.2572       151.7850 301.2572       151.7850 301.2572       151.7850 81.35567 32.70170 81.35567 32.70170 0.000000       0.000000 
1 1 1 4   0  51 o 73.25208 34.62033 271.2663       168.2353 271.2663       168.2353 271.2663       168.2353 73.25208 34.62033 73.25208 34.62033 0.000000       0.000000 
1 1 1 4   1  0  o 625.5624 12.31031 11494.47       451.6375 11652.04       789.1920 11417.74       550.7376 628.4070 21.44510 623.2112 15.06812 5.195801       26.20955 
1 1 1 4   1  1  o 212.1599 8.163719 1322.841       101.3890 1363.779       144.1051 1282.711       142.6769 215.1965 11.45942 208.6638 11.70579 6.532684       16.38120 
1 1 1 4   1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1  5  o 533.8567 6.830420 8361.719       213.8566 8511.438       309.1636 8224.353       296.1347 538.4676 9.789901 529.3228 9.539335 9.144775       13.66898 
1 1 1 4   1  6  o 776.3674 9.456579 17693.75       430.5781 17978.62       622.0583 17431.72       596.5980 782.1503 13.56096 770.2059 13.20762 11.94446       18.92989 
1 1 1 4   1  7  o 844.0443 10.22051 20919.33       505.9277 21140.22       725.7556 20710.52       705.6476 847.8840 14.59498 839.2639 14.33636 8.620178       20.45836 
1 1 1 4   1  8  f 290.8946 4.625934 2482.172       78.91975 2428.458       109.2962 2540.687       114.0760 287.6854 6.477935 294.2540 6.610301 -6.568634      9.255253 
1 1 1 4   1  9  o 1046.386 12.53297 32197.25       769.1246 32049.36       1080.890 32348.93       1094.654 1042.541 17.67818 1047.355 17.82100 -4.814087      25.10192 
1 1 1 4   1  10 o 286.5092 4.688642 2408.238       78.78365 2426.801       111.9096 2389.999       110.9307 287.5443 6.636086 285.3559 6.628487 2.188324       9.379471 
1 1 1 4   1  11 o 90.92329 7.168089 244.2043       37.91442 313.9666       56.63578 187.5505       51.03820 102.9360 9.488217 79.06473 11.33024 23.87130       14.77838 
1 1 1 4   1  12 o 251.2227 4.691759 1851.569       69.12658 1832.922       97.02737 1870.790       98.50896 249.8091 6.628564 252.3761 6.661267 -2.567093      9.397358 
1 1 1 4   1  13 o 803.1921 9.795959 18949.49       461.4417 18679.88       639.8587 19241.66       666.0854 796.8127 13.69233 808.6357 14.04515 -11.82306      19.61495 
1 1 1 4   1  14 o 139.4500 5.954152 571.5609       48.58344 601.9286       67.48022 538.8790       70.00398 142.9796 8.080218 135.1965 8.878029 7.783035       12.00455 
1 1 1 4   1  15 f 239.1537 5.018024 1677.639       70.38181 1567.307       96.10975 1805.230       103.3545 231.0139 7.102232 247.9438 7.114998 -16.92987      10.05310 
1 1 1 4   1  16 o 445.7983 6.160247 5829.893       161.0598 5711.658       222.3414 5960.431       233.6230 441.1762 8.593254 450.6721 8.839026 -9.495850      12.32771 
1 1 1 4   1  17 o 482.9984 6.498838 6843.654       184.0907 6950.298       264.9266 6744.084       255.9906 486.6445 9.282461 479.3783 9.105317 7.266205       13.00273 
1 1 1 4   1  18 o 606.4023 7.750122 10789.53       275.6258 10782.86       389.0208 10796.25       390.5713 606.0345 10.94523 606.4081 10.98209 -0.3735962     15.50498 
1 1 1 4   1  19 o 142.4917 11.55279 600.1262       95.71704 626.9014       156.1782 584.0191       121.1327 144.7385 18.84574 140.1684 14.96667 4.570175       24.06581 
1 1 1 4   1  20 o 537.1281 7.316431 8465.231       230.4770 8452.178       325.3635 8478.379       326.5271 536.5521 10.33966 537.3817 10.36062 -0.8295898     14.63732 
1 1 1 4   1  21 o 667.4423 8.501496 13074.83       332.7818 12954.18       465.1187 13201.37       476.3307 664.0670 11.94267 670.3557 12.11582 -6.288696      17.01236 
1 1 1 4   1  22 o 1052.750 12.67169 32570.57       782.3665 32673.19       1111.272 32469.73       1101.657 1053.234 17.99058 1049.975 17.89026 3.258545       25.37169 
1 1 1 4   1  23 o 367.3211 5.961891 3958.795       128.4341 4145.724       189.5986 3800.282       174.5942 375.7759 8.603116 359.7959 8.274144 15.97998       11.93629 
1 1 1 4   1  24 o 487.7159 6.762280 6981.305       193.4241 7030.692       275.8615 6933.543       271.2819 489.2180 9.614752 485.8347 9.520984 3.383362       13.53117 
1 1 1 4   1  25 o 428.3041 6.329669 5384.151       158.9951 5468.614       228.0514 5304.265       221.7856 431.4506 9.012623 424.9276 8.899548 6.522980       12.66607 
1 1 1 4   1  26 o 137.7585 8.121555 559.3951       65.32461 526.4954       93.73322 590.4651       91.08939 133.1883 12.13294 141.2400 11.08540 -8.051682      16.43454 
1 1 1 4   1  27 f 91.32067 11.30125 249.2227       59.23612 255.3168       85.48598 243.5939       82.15813 91.55054 16.52961 89.41916 16.26541 2.131378       23.19033 
1 1 1 4   1  28 o 247.2898 6.796261 1797.527       98.47247 1695.794       182.0457 1839.605       117.0796 239.4079 13.01450 250.0557 7.993782 -10.64774      15.27343 
1 1 1 4   1  29 o 412.3282 6.048997 4992.753       146.2773 5094.013       211.2496 4899.481       202.7470 416.1711 8.655128 408.1731 8.469535 7.997955       12.10968 
1 1 1 4   1  30 o 213.5291 5.878376 1340.085       73.54475 1370.399       105.5031 1311.431       102.5746 215.6822 8.356471 210.9897 8.305726 4.692505       11.78201 
1 1 1 4   1  31 o 547.6932 7.209772 8817.918       231.5845 8771.938       325.7250 8864.921       329.3245 545.5964 10.17956 548.4650 10.23822 -2.868530      14.43761 
1 1 1 4   1  32 f 39.19439 15.87668 19.26762       56.73404 22.74100       78.69098 15.50779       81.87160 45.45121 18.59057 45.17691 18.76781 0.2743034      26.41666 
1 1 1 4   1  33 o 92.07991 12.14809 254.6096       64.00415 272.7191       90.89701 236.8009       90.13882 94.39579 17.04614 87.61720 18.13952 6.778595       24.89203 
1 1 1 4   1  34 o 386.9187 6.479803 4398.820       147.0388 4388.704       208.2906 4408.869       207.5998 386.0786 9.199057 386.9734 9.147348 -0.8947754     12.97292 
1 1 1 4   1  35 f 224.2094 6.807080 1478.986       89.40500 1489.865       128.3170 1468.722       124.6387 224.6430 9.762905 223.0731 9.549076 1.569901       13.65647 
1 1 1 4   1  36 o 266.2871 6.589260 2084.575       102.9052 2437.665       158.3949 1826.701       135.3637 287.4297 9.409027 248.7921 9.293502 38.63770       13.22494 
1 1 1 4   1  37 o 218.7933 7.572477 1410.850       97.02135 1422.051       136.8916 1399.544       137.5285 219.1175 10.68465 217.3442 10.82337 1.773224       15.20879 
1 1 1 4   1  38 o 133.0697 15.08467 534.5443       115.6499 547.2849       133.9042 497.1377       229.4428 134.0356 17.44800 123.3471 31.58383 10.68854       36.08284 
1 1 1 4   1  39 o 130.4910 11.67726 508.8385       88.42238 522.0944       125.5415 495.7890       124.5605 130.9419 16.72934 127.4467 17.09562 3.495178       23.91926 
1 1 1 4   1  40 o 268.8955 7.435118 2133.087       117.1399 2148.466       162.4956 2116.448       169.0186 269.1184 10.31460 266.9493 10.81822 2.169098       14.94740 
1 1 1 4   1  41 o 41.93143 18.18163 -6.842279      82.67168 -85.71520      117.1804 71.32115       116.6522 42.81546 19.80344 58.92017 23.12551 -16.10471      30.44610 
1 1 1 4   1  42 o 136.4221 10.70019 558.0024       84.92585 529.4794       122.7856 584.1622       117.5894 130.9780 16.33882 138.2839 14.72550 -7.305878      21.99539 
1 1 1 4   1  43 o 95.66665 14.66613 283.7678       79.66618 293.7843       83.75977 188.7422       257.9862 97.18987 15.19180 84.51521 33.99046 12.67466       37.23093 
1 1 1 4   1  44 o 270.9129 7.294306 2175.345       115.7894 2133.274       125.9679 2404.566       294.0341 267.9790 8.024131 277.3454 18.17718 -9.366364      19.86949 
1 1 1 4   1  45 o 133.3167 14.68579 550.6554       112.9240 654.7711       124.9349 85.93406       263.9501 145.4025 14.85951 75.12497 32.53121 70.27748       35.76430 
1 1 1 4   1  46 o 233.8596 8.330563 1632.251       114.0737 1692.168       165.9539 1578.583       157.0623 235.9018 12.03492 227.9946 11.78620 7.907288       16.84499 
1 1 1 4   1  47 o 29.40014 14.36340 -140.9950      81.71500 -88.11413      116.9896 -191.3720      114.1863 41.36713 19.35224 34.62837 16.93080 6.738766       25.71305 
1 1 1 4   1  48 o 74.36291 21.03152 188.5407       95.80127 263.8117       139.3528 121.0856       131.9195 85.62730 25.70219 64.39071 24.78089 21.23659       35.70287 
1 1 1 4   1  49 o 95.25141 18.91836 302.4628       101.9560 276.7144       142.8466 329.2013       145.5670 86.94617 26.00490 95.10092 25.55528 -8.154755      36.45994 
1 1 1 4   1  50 o 66.22321 22.93520 148.0033       108.5592 83.45812       149.6720 219.6525       157.6936 60.85649 25.33636 77.52185 27.57967 -16.66536      37.45090 
1 1 1 4   1  51 o 156.4727 14.30411 772.4178       129.8149 714.3054       187.6896 825.7121       179.7404 142.7511 23.21566 156.8145 19.99819 -14.06345      30.64139 
1 1 1 4   2  0  o 258.1099 8.458053 1957.214       127.8612 2016.927       182.0269 1899.054       179.6427 261.7887 11.88690 253.9910 12.09457 7.797684       16.95810 
1 1 1 4   2  1  o 342.6942 9.706001 3450.109       194.8767 3456.652       274.5048 3443.461       276.7029 342.7087 13.68511 342.0406 13.82232 0.6681824      19.45094 
1 1 1 4   2  2  o 94.62815 13.97995 268.7917       75.25201 268.7917       75.25201 0.000000       0.000000 94.62815 13.97995 ?        ?        0.000000       13.97995 
1 1 1 4   2  3  o 1049.444 25.26698 32522.77       1555.117 32522.77       1555.117 0.000000       0.000000 1049.444 25.26698 ?        ?        0.000000       25.26698 
1 1 1 4   2  4  o 1034.452 17.55939 31485.82       1065.296 31297.06       1493.299 31681.42       1520.172 1029.633 24.72942 1035.853 25.02328 -6.220215      35.18108 
1 1 1 4   2  5  o 588.5612 8.564054 10166.38       295.6117 10209.45       514.8693 10145.20       361.0521 589.1198 14.91393 587.8262 10.47298 1.293579       18.22385 
1 1 1 4   2  6  o 1075.912 12.85911 34013.73       811.4059 34053.93       1149.298 33973.78       1145.713 1075.451 18.22182 1074.193 18.18624 1.257935       25.74439 
1 1 1 4   2  7  o 719.4805 8.828687 15195.59       372.5338 15225.71       527.7228 15165.68       525.9662 719.8112 12.50077 718.3929 12.48376 1.418274       17.66673 
1 1 1 4   2  8  o 457.5823 6.047474 6143.368       162.2908 6229.513       233.0246 6062.226       226.1570 460.6436 8.625541 454.4249 8.485888 6.218658       12.10001 
1 1 1 4   2  9  f 241.2834 4.383866 1707.771       62.03477 1709.111       87.76771 1706.433       87.69318 241.2552 6.208241 241.0660 6.207844 0.1891937      8.779498 
1 1 1 4   2  10 o 636.3646 7.930351 11890.98       295.9709 11527.67       401.6784 12322.53       437.7799 626.1874 10.93764 647.3239 11.53144 -21.13647      15.89359 
1 1 1 4   2  11 o 150.4577 4.924144 664.8883       43.39207 645.2114       61.52911 684.3575       61.20348 148.0807 7.105601 152.5338 6.859178 -4.453079      9.876127 
1 1 1 4   2  12 o 706.6046 8.713640 14663.98       361.0992 14536.47       504.4979 14797.92       517.0773 702.9928 12.23652 709.2516 12.43096 -6.258850      17.44308 
1 1 1 4   2  13 o 114.3888 6.259000 385.1007       41.82933 376.1559       60.05133 393.5309       58.29879 112.8090 9.155334 115.4470 8.673889 -2.638000      12.61176 
1 1 1 4   2  14 o 632.9772 7.935066 11758.93       294.5704 11823.01       419.1283 11696.37       414.0884 634.4249 11.26461 631.0251 11.18912 3.399780       15.87728 
1 1 1 4   2  15 o 536.2683 6.956110 8437.573       218.7757 8428.440       308.6114 8446.799       310.1857 535.8354 9.820418 536.4163 9.859827 -0.5809326     13.91606 
1 1 1 4   2  16 o 310.4709 6.113481 2827.623       111.3166 2995.540       203.7274 2756.153       132.9115 319.2441 10.89715 306.4962 7.394129 12.74789       13.16895 
1 1 1 4   2  17 o 548.3166 7.130712 8820.557       229.3056 8823.710       324.1738 8817.398       324.4006 548.2805 10.08149 548.0839 10.09216 0.1966553      14.26492 
1 1 1 4   2  18 o 195.3421 5.938446 1120.384       67.95394 1123.768       97.10381 1117.136       95.12938 195.5074 8.489048 194.9374 8.340151 0.5699921      11.90051 
1 1 1 4   2  19 o 635.5162 8.167684 11851.72       304.4220 11807.03       427.4921 11897.69       433.6085 634.0969 11.49534 636.5173 11.61548 -2.420349      16.34204 
1 1 1 4   2  20 o 363.7177 6.362768 3881.053       135.7254 3906.499       193.9274 3856.622       190.0215 364.8215 9.063758 362.4898 8.938331 2.331757       12.72971 
1 1 1 4   2  21 o 770.9678 9.579461 17449.79       433.1396 17386.60       609.7924 17514.14       615.3491 769.1345 13.51852 771.9407 13.59212 -2.806152      19.17019 
1 1 1 4   2  22 o 1097.402 13.17482 35399.50       847.9319 35547.27       1206.107 35255.08       1192.325 1098.345 18.72391 1093.861 18.58584 4.484497       26.38216 
1 1 1 4   2  23 o 683.5392 8.616668 13717.61       345.4247 13692.93       487.9829 13742.39       489.0273 682.5065 12.19122 683.7374 12.19532 -1.230835      17.24389 
1 1 1 4   2  24 o 231.6717 6.162734 1576.139       83.65869 1492.952       118.1442 1659.797       118.4790 225.2847 8.959781 237.5926 8.516496 -12.30791      12.36157 
1 1 1 4   2  25 o 129.1042 8.774817 491.8720       66.04503 458.1870       95.65458 522.5607       91.30099 124.0401 13.35942 132.7578 11.85089 -8.717690      17.85826 
1 1 1 4   2  26 o 259.1940 5.798006 1971.807       88.13618 2032.807       126.8208 1914.824       122.5744 262.9233 8.234676 255.1746 8.201176 7.748703       11.62193 
1 1 1 4   2  27 o 66.36395 15.18851 135.2437       57.83389 39.50229       84.14394 220.9717       79.62221 49.39573 19.56213 85.01415 16.56519 -35.61843      25.63362 
1 1 1 4   2  28 o 138.1603 7.665147 562.6387       61.86553 537.5333       90.78461 584.4050       84.53181 134.5724 11.61647 140.5272 10.32891 -5.954742      15.54441 
1 1 1 4   2  29 o 139.4672 7.732218 573.4927       62.99753 633.9084       90.80667 517.4342       87.47086 146.3137 10.65539 132.0075 11.41024 14.30618       15.61188 
1 1 1 4   2  30 o 326.1444 6.725486 3125.516       128.6424 3119.108       152.2205 3141.529       240.6332 325.6765 7.969595 325.9097 12.61329 -0.2331848     14.92011 
1 1 1 4   2  31 o 197.8938 6.220747 1151.626       72.10832 1142.450       101.6908 1160.906       102.2647 196.8209 8.832179 198.4102 8.810405 -1.589325      12.47520 
1 1 1 4   2  32 o 95.21453 11.21142 271.0820       61.40708 233.4165       88.30321 306.3548       85.45239 87.00720 17.90247 100.6172 14.93350 -13.60999      23.31325 
1 1 1 4   2  33 o 178.4441 7.273062 937.6315       75.95545 959.7794       112.7422 919.2240       102.7819 180.1094 10.72184 176.3562 9.978166 3.753235       14.64656 
1 1 1 4   2  34 o 250.0666 6.663103 1838.939       97.63277 1878.492       137.5023 1798.722       138.6521 252.4053 9.304755 246.9377 9.592132 5.467560       13.36366 
1 1 1 4   2  35 o 564.6587 7.639689 9377.956       252.9951 9532.535       366.3501 9237.026       349.8017 568.3748 10.99034 559.5994 10.65845 8.775330       15.30980 
1 1 1 4   2  36 o 360.8793 6.329765 3827.919       133.9677 4066.306       200.2244 3634.698       180.2619 371.4649 9.190704 351.2789 8.749867 20.18600       12.68973 
1 1 1 4   2  37 f 57.26550 19.72328 90.60146       80.23956 161.8427       115.1673 23.39699       111.8568 73.51068 23.58402 52.65300 21.91059 20.85768       32.19130 
1 1 1 4   2  38 o 133.1056 10.84046 527.5378       83.89214 490.6951       119.3391 563.5314       117.9558 127.0859 16.39306 136.6986 14.95696 -9.612701      22.19106 
1 1 1 4   2  39 o 58.76323 19.44748 100.2694       78.00081 263.9102       111.3173 -57.57861      109.3292 91.44788 21.17361 43.57175 19.76384 47.87613       28.96431 
1 1 1 4   2  40 o 276.6005 7.067492 2255.773       114.5547 2281.359       164.9193 2231.919       159.2396 277.3661 10.15551 274.4131 9.910818 2.952972       14.19009 
1 1 1 4   2  41 f 124.4918 11.95732 466.1111       86.22995 482.1093       91.63556 342.3877       254.8320 126.4801 12.51753 102.2090 35.15100 24.27116       37.31329 
1 1 1 4   2  42 o 217.6885 7.859929 1403.917       100.1823 1353.363       107.3045 1747.265       279.6448 213.5172 8.586606 236.3233 20.37546 -22.80615      22.11084 
1 1 1 4   2  43 o 114.7359 12.46001 400.4689       82.49860 439.6876       87.16589 63.39069       255.5439 120.2515 12.54387 74.46464 32.12642 45.78682       34.48849 
1 1 1 4   2  44 o 147.5518 9.977620 653.2523       85.83422 659.2269       89.98554 592.9432       285.8947 148.0738 10.42871 124.4612 36.68153 23.61255       38.13519 
1 1 1 4   2  45 o 42.14781 17.96029 9.104479       78.05602 -2.102686      81.91395 119.7456       257.3761 41.63300 18.07489 76.93640 32.69283 -35.30340      37.35669 
1 1 1 4   2  46 f 36.96787 16.88392 -42.28873      81.53040 -12.67791      84.80357 -403.8156      296.3188 40.90676 18.05648 55.43095 27.13813 -14.52419      32.59623 
1 1 1 4   2  47 o 81.55851 18.35240 219.1065       85.65545 104.2130       127.5905 313.3708       115.5698 62.25005 24.25737 96.50391 21.01638 -34.25386      32.09530 
1 1 1 4   2  48 o 135.8876 13.20065 572.8105       103.8783 616.3105       152.7514 535.3856       141.6842 136.7546 19.60557 127.3388 19.59949 9.415756       27.72216 
1 1 1 4   2  49 o 62.62627 22.01893 126.6030       100.2725 159.5281       143.9706 95.58558       139.7376 69.77039 26.10884 61.58278 24.92733 8.187611       36.09769 
1 1 1 4   2  50 o 74.53912 23.31772 196.8482       113.2069 282.2796       159.4763 110.0699       160.7286 86.19186 27.76196 64.61848 26.51543 21.57338       38.39003 
1 1 1 4   2  51 o 54.31604 22.80474 53.60203       122.7957 85.10738       171.6550 20.58102       175.7355 62.92485 26.71742 57.98406 25.77276 4.940792       37.12218 
1 1 1 4   3  0  f 228.0645 7.942810 1528.143       106.0764 1582.268       149.8816 1473.825       150.1482 231.8707 11.05361 223.7320 11.48144 8.138657       15.93756 
1 1 1 4   3  1  o 311.8824 9.169627 2857.457       167.5410 2929.283       238.5748 2787.566       235.3360 315.5067 12.92068 307.7543 13.06843 7.752380       18.37737 
1 1 1 4   3  2  o 1135.724 26.08651 38108.16       1737.557 37980.47       2449.955 38237.39       2464.666 1128.965 37.05236 1132.733 37.15079 -3.767944      52.46960 
1 1 1 4   3  3  o 379.3144 10.99289 4228.253       244.2888 4228.253       244.2888 0.000000       0.000000 379.3144 10.99289 ?        ?        0.000000       10.99289 
1 1 1 4   3  4  o 605.6231 10.78636 10769.33       383.1138 10857.71       546.3246 10683.81       537.3951 607.5079 15.34604 602.6366 15.21722 4.871277       21.61168 
1 1 1 4   3  5  o 699.7637 9.957187 14375.83       408.6378 14651.26       725.3317 14247.75       494.6006 705.5676 17.52861 696.4441 12.10927 9.123535       21.30461 
1 1 1 4   3  6  o 1197.188 16.47769 42174.59       1156.936 42295.32       2011.424 42114.90       1414.303 1194.699 28.70744 1195.308 20.17494 -0.6087646     35.08767 
1 1 1 4   3  7  o 481.0421 6.291027 6789.416       177.4823 6654.483       244.8308 6938.854       257.6559 476.1112 8.768133 486.1612 9.036687 -10.05002      12.59134 
1 1 1 4   3  8  o 223.7319 4.339222 1468.289       56.93645 1472.408       80.78995 1464.224       80.25333 223.9258 6.157653 223.3033 6.133790 0.6224365      8.691379 
1 1 1 4   3  9  o 797.6146 9.703517 18690.21       453.9132 18321.49       624.6084 19102.86       660.7780 789.0231 13.49794 805.5660 13.98633 -16.54291      19.43739 
1 1 1 4   3  10 o 321.0622 4.862729 3024.293       91.56293 3038.080       129.5264 3010.522       129.4527 321.7104 6.865036 320.2466 6.892487 1.463776       9.728058 
1 1 1 4   3  11 o 541.7134 6.921182 8614.251       219.8874 8609.179       310.9460 8619.324       310.9896 541.2680 9.795397 541.5874 9.790994 -0.3193970     13.84967 
1 1 1 4   3  12 o 192.7720 4.588531 1090.158       51.87621 1010.058       70.98995 1181.947       75.99342 185.4002 6.539082 200.5783 6.468592 -15.17816      9.197949 
1 1 1 4   3  13 o 890.9294 10.77550 23319.84       563.0297 23000.71       780.6443 23665.82       812.8184 884.0198 15.05708 896.6218 15.45730 -12.60199      21.57878 
1 1 1 4   3  14 o 717.5154 8.847228 15112.03       372.2965 15421.97       540.5319 14832.30       513.5197 724.4445 12.72230 710.5056 12.32364 13.93896       17.71240 
1 1 1 4   3  15 o 312.7324 5.158333 2868.733       94.60908 2843.885       132.4805 2894.594       135.1545 311.3317 7.255677 314.0930 7.337053 -2.761353      10.31878 
1 1 1 4   3  16 o 717.5572 8.900558 15110.08       374.5625 14745.05       511.3851 15532.57       550.1603 708.5892 12.30561 727.2128 12.89963 -18.62366      17.82774 
1 1 1 4   3  17 o 391.2572 5.784674 4490.410       132.7369 4492.085       187.7558 4488.737       187.6809 391.2667 8.182199 391.1209 8.181984 0.1458435      11.57123 
1 1 1 4   3  18 o 488.1155 6.689263 6989.762       191.4923 6832.420       263.6143 7165.542       278.6314 482.4878 9.316056 494.0958 9.615423 -11.60797      13.38825 
1 1 1 4   3  19 o 91.08496 13.97877 249.4151       72.29215 222.4599       108.3609 271.0347       97.04552 85.25373 21.63890 94.39316 18.18969 -9.139427      28.26847 
1 1 1 4   3  20 o 614.7874 8.086976 11091.70       291.5826 11342.95       421.8882 10861.94       403.4497 621.4658 11.57523 608.1672 11.31139 13.29858       16.18436 
1 1 1 4   3  21 o 342.0720 6.123993 3432.906       122.8578 3639.766       184.4780 3268.034       164.6946 352.0197 8.942909 333.5799 8.425131 18.43982       12.28652 
1 1 1 4   3  22 o 1101.489 13.22177 35666.15       854.1229 36236.03       1234.423 35142.73       1183.040 1108.800 18.98280 1092.092 18.47096 16.70764       26.48628 
1 1 1 4   3  23 o 228.3630 6.036488 1531.233       80.77547 1644.145       119.4672 1436.145       109.6328 236.4830 8.628336 221.0083 8.473971 15.47469       12.09365 
1 1 1 4   3  24 o 569.3702 7.489278 9516.863       250.0836 9700.744       361.0174 9347.224       346.7567 574.5097 10.71471 563.9716 10.48376 10.53815       14.99047 
1 1 1 4   3  25 o 515.8732 6.978398 7812.646       211.1296 7985.326       304.7844 7653.340       292.7442 521.2361 9.970288 510.3082 9.781497 10.92798       13.96726 
1 1 1 4   3  26 o 119.3575 8.583916 420.7496       59.68644 512.8829       87.84299 341.7346       81.34929 131.5153 11.50459 106.8889 13.26115 24.62640       17.55602 
1 1 1 4   3  27 o 267.2447 6.156218 2096.850       96.48806 2047.360       121.7176 2180.544       158.2848 263.8532 7.874567 272.0808 9.936213 -8.227539      12.67821 
1 1 1 4   3  28 o 30.40669 13.95538 -41.22349      56.61384 -19.93100      82.25105 -60.39288      78.04273 40.80782 17.90580 35.30622 16.26988 5.501602       24.19353 
1 1 1 4   3  29 f 173.4494 6.700072 885.1183       68.02762 945.6962       100.8797 834.5972       92.12623 178.9883 9.645755 168.1461 9.379298 10.84210       13.45406 
1 1 1 4   3  30 o 155.6870 7.083142 713.8391       64.50446 726.5853       91.29739 701.1342       91.14897 156.7442 9.983421 153.9408 10.15264 2.803436       14.23885 
1 1 1 4   3  31 o 95.55704 12.72242 274.4688       69.52900 353.7351       112.3007 225.1969       88.53963 107.5097 18.47657 85.38253 18.23580 22.12716       25.96012 
1 1 1 4   3  32 o 114.2930 9.897161 387.7017       65.68761 439.7011       99.37047 347.3446       87.54230 121.0475 14.27153 107.4014 14.24942 13.64615       20.16736 
1 1 1 4   3  33 o 248.7602 6.515957 1819.512       94.98076 1926.251       139.9514 1728.370       129.3234 255.5982 9.351941 242.1284 9.123435 13.46986       13.06506 
1 1 1 4   3  34 o 113.5827 12.34132 385.4790       80.88996 384.1432       120.3427 386.5800       109.2513 112.0119 18.99722 112.8171 17.04294 -0.8051071     25.52168 
1 1 1 4   3  35 o 390.4902 9.356152 4491.916       214.2683 4487.234       277.3405 4498.847       337.4756 389.4896 12.15623 389.1817 14.81266 0.3078918      19.16217 
1 1 1 4   3  36 o 35.44287 16.26001 -53.86212      76.74805 -113.8955      116.7808 -8.219860      101.8259 41.14545 19.27643 46.90498 20.25814 -5.759521      27.96378 
1 1 1 4   3  37 o 403.2381 6.601767 4782.390       156.1249 4782.777       221.7416 4782.008       219.8584 402.6386 9.390340 402.6267 9.310864 0.1184082E-01  13.22387 
1 1 1 4   3  38 f 42.37862 17.66264 13.20300       72.85310 -62.40636      104.6349 84.34470       101.4965 42.06506 19.17943 59.07630 21.95826 -17.01124      29.15503 
1 1 1 4   3  39 o 46.80371 20.25751 -7.820273      102.2518 -12.04007      111.9244 13.47689       251.4432 48.52137 21.09616 73.81197 31.85636 -25.29060      38.20831 
1 1 1 4   3  40 o 177.6257 8.995251 934.8363       93.40140 947.2180       99.36023 840.7980       273.8263 178.6920 9.515368 160.2905 30.23685 18.40157       31.69872 
1 1 1 4   3  41 o 82.04875 16.93674 211.0718       78.79655 183.7195       82.30676 511.3830       272.7244 76.13828 18.59531 121.0923 35.86250 -44.95401      40.39683 
1 1 1 4   3  42 o 142.4218 10.31125 607.1814       85.54360 584.7798       90.80929 783.7101       254.9172 139.5027 11.19320 152.0575 29.65067 -12.55482      31.69306 
1 1 1 4   3  43 o 233.1030 11.24484 1631.522       153.2741 1631.522       153.2741 0.000000       0.000000 233.1030 11.24484 ?        ?        0.000000       11.24484 
1 1 1 4   3  44 o 69.85411 18.11387 157.5380       74.82340 157.7033       77.26337 155.0438       300.1052 69.82447 18.55343 83.77254 35.43717 -13.94807      40.00029 
1 1 1 4   3  45 o 213.7499 8.264763 1361.490       103.4112 1322.415       109.0502 1710.272       325.8022 210.4068 8.857038 225.8897 25.01127 -15.48294      26.53320 
1 1 1 4   3  46 o 163.0120 9.952440 800.5082       94.69452 781.7432       99.33508 987.3872       313.4788 160.8008 10.59228 160.6515 34.31437 0.1492920      35.91201 
1 1 1 4   3  47 o 142.9226 11.21209 622.0735       93.22870 668.2781       97.39778 116.7611       322.0968 148.1221 11.29712 79.10142 35.03976 69.02065       36.81589 
1 1 1 4   3  48 f 73.90329 20.87798 186.0557       94.46203 150.7063       139.2335 216.2028       128.5805 68.77869 25.68825 78.28107 24.89877 -9.502388      35.77478 
1 1 1 4   3  49 o 74.49619 22.35497 193.0546       105.4307 97.54440       156.0496 273.2654       143.0060 63.37370 26.07869 86.34985 26.06326 -22.97615      36.86992 
1 1 1 4   3  50 o 93.26380 21.56869 302.8226       115.6221 220.2204       167.1205 378.6607       160.1319 77.56578 28.28807 100.5307 26.70905 -22.96488      38.90486 
1 1 1 4   3  51 f 66.88457 24.37904 150.2753       124.0993 150.3284       173.7870 150.2201       177.2706 69.42352 27.90573 69.61031 28.11225 -0.1867828     39.61096 
1 1 1 4   4  0  o 827.7058 19.32082 20172.66       937.8904 20438.82       1339.398 19916.60       1313.729 830.9475 27.52234 820.3011 27.34573 10.64642       38.79778 
1 1 1 4   4  1  o 501.7639 12.53471 7395.597       368.8621 7396.261       520.7679 7394.929       522.5362 501.0389 17.75043 500.9855 17.81281 0.5340576E-01  25.14705 
1 1 1 4   4  2  o 71.79556 11.28663 155.0242       45.95743 180.2574       61.25414 122.5272       69.51384 77.12704 14.05972 63.66924 17.88318 13.45781       22.74827 
1 1 1 4   4  3  o 128.1422 8.278289 483.8857       61.88041 483.8857       61.88041 0.000000       0.000000 128.1422 8.278289 ?        ?        0.000000       8.278289 
1 1 1 4   4  4  o 438.2751 8.430305 5637.381       216.6909 5651.160       306.1595 5623.550       306.7358 438.4666 11.91691 437.3888 11.96891 1.077728       16.88986 
1 1 1 4   4  5  o 314.8019 5.655099 2907.163       104.4066 2894.704       180.4800 2913.429       127.9985 313.8472 9.817362 315.1095 6.926167 -1.262299      12.01467 
1 1 1 4   4  6  o 943.6603 13.12351 26174.28       726.3002 26284.97       1265.108 26119.86       887.0470 943.3973 22.86559 942.1288 16.05409 1.268494       27.93867 
1 1 1 4   4  7  o 530.3705 6.801062 8254.477       211.5469 8218.061       297.1062 8291.923       301.2824 529.0137 9.576223 531.3785 9.667613 -2.364868      13.60760 
1 1 1 4   4  8  o 804.1621 9.778447 18995.57       461.1732 19014.55       652.8364 18976.66       651.5601 803.8719 13.84736 803.0731 13.83404 0.7987671      19.57371 
1 1 1 4   4  9  o 287.0670 4.609694 2417.583       77.60787 2328.414       105.9596 2520.775       113.9878 281.6642 6.414433 293.0594 6.632115 -11.39517      9.226586 
1 1 1 4   4  10 o 264.0092 4.534647 2044.848       70.21230 2092.815       101.0640 2000.098       97.61610 267.0241 6.453503 261.0450 6.376105 5.979034       9.072068 
1 1 1 4   4  11 o 580.7059 7.333530 9900.032       249.7582 9963.640       355.8025 9838.244       350.6762 582.2249 10.42000 578.5604 10.33492 3.664429       14.67607 
1 1 1 4   4  12 o 905.3493 10.93424 24089.35       580.5709 24138.41       823.2138 24040.80       818.9057 905.2480 15.50581 903.4291 15.45572 1.818909       21.89314 
1 1 1 4   4  13 o 401.8002 5.619296 4736.400       132.4166 4720.482       186.5775 4752.555       187.9609 401.0293 7.932914 402.3878 7.964750 -1.358582      11.24137 
1 1 1 4   4  14 o 800.0773 9.759038 18792.61       457.9198 18958.99       655.0081 18633.55       640.4307 803.1324 13.90622 796.2354 13.71451 6.897095       19.53127 
1 1 1 4   4  15 o 616.9183 7.798944 11167.31       282.1721 11110.12       395.5533 11226.57       402.6443 615.1482 10.96414 618.3536 11.10284 -3.205444      15.60402 
1 1 1 4   4  16 o 786.6982 9.642256 18164.63       444.8743 18146.96       627.4505 18182.49       630.8578 785.9655 13.61211 786.7283 13.67276 -0.7628174     19.29337 
1 1 1 4   4  17 o 517.1102 6.864175 7844.883       208.1718 7828.599       292.4370 7861.613       296.4019 516.4570 9.654898 517.5394 9.765333 -1.082397      13.73240 
1 1 1 4   4  18 o 640.5579 8.167974 12040.22       306.8480 11974.84       430.1103 12107.99       437.8914 638.6031 11.48414 642.1328 11.62763 -3.529663      16.34280 
1 1 1 4   4  19 f 506.3433 7.141245 7522.309       212.0653 7346.892       291.2922 7720.125       309.3311 500.2753 9.928171 512.8052 10.28539 -12.52985      14.29538 
1 1 1 4   4  20 o 782.1980 9.772389 17961.44       448.2992 18135.50       641.4227 17795.23       626.8115 785.5253 13.92303 778.1450 13.73491 7.380310       19.55757 
1 1 1 4   4  21 o 122.8921 9.999637 446.3558       71.44837 394.7430       110.6994 483.2084       93.54061 114.5850 16.98638 127.6132 12.66535 -13.02815      21.18839 
1 1 1 4   4  22 o 1179.267 14.11611 40898.58       976.2873 41225.65       1396.210 40585.67       1365.655 1182.196 20.13773 1173.082 19.85006 9.114014       28.27637 
1 1 1 4   4  23 o 406.0143 6.143067 4837.139       146.2774 4830.241       207.2193 4843.989       206.5174 405.5900 8.711488 406.1693 8.669598 -0.5793152     12.29032 
1 1 1 4   4  24 o 140.1147 8.476465 578.6333       69.32865 666.4849       103.0291 505.9377       93.72151 150.0870 11.79969 130.5673 12.38741 19.51976       17.10791 
1 1 1 4   4  25 o 418.5128 6.202562 5140.884       152.2406 5366.991       223.9323 4946.563       207.5959 427.4062 8.933578 410.3507 8.626072 17.05548       12.41845 
1 1 1 4   4  26 o 326.6332 7.707602 3133.783       147.6488 2913.066       212.3838 3340.233       205.4051 314.3850 11.53842 336.8291 10.41053 -22.44412      15.54073 
1 1 1 4   4  27 o 371.4598 5.880018 4050.774       128.0976 4092.189       182.5693 4010.616       179.7777 373.1391 8.342697 369.4059 8.298155 3.733246       11.76690 
1 1 1 4   4  28 o 351.0278 5.772491 3617.759       118.8380 3561.055       165.2281 3678.527       171.0475 348.0586 8.094332 353.7368 8.244913 -5.678162      11.55408 
1 1 1 4   4  29 o 389.4738 5.988189 4454.729       136.7805 4466.884       194.9368 4442.941       191.9710 389.7078 8.529120 388.6765 8.421643 1.031250       11.98624 
1 1 1 4   4  30 o 204.1332 6.209054 1225.211       74.24793 1273.282       111.3601 1186.740       99.62250 207.7807 9.161000 200.6648 8.484316 7.115845       12.48629 
1 1 1 4   4  31 o 293.3307 5.749909 2527.115       98.91657 2711.524       147.0381 2374.665       133.6908 303.4765 8.269121 284.0186 8.034167 19.45789       11.52936 
1 1 1 4   4  32 o 237.4054 6.315605 1657.068       87.85572 1822.580       132.6898 1527.868       117.2342 248.6441 9.114742 227.6696 8.796636 20.97453       12.66725 
1 1 1 4   4  33 o 334.3877 6.364151 3285.164       124.8077 3339.043       184.0061 3239.256       169.8518 336.6194 9.329568 331.6469 8.740219 4.972565       12.78406 
1 1 1 4   4  34 o 200.2145 12.16182 1188.211       142.1318 1148.750       168.2284 1286.633       265.6843 196.3585 14.71532 205.8524 22.36600 -9.493973      26.77272 
1 1 1 4   4  35 o 173.0700 8.338215 883.6157       84.38510 990.9229       128.4772 802.2014       111.9083 182.7332 12.05566 164.3964 11.68311 18.33679       16.78791 
1 1 1 4   4  36 o 251.5565 6.719091 1861.969       99.03930 1854.329       144.3999 1868.756       136.0942 250.5510 9.846155 251.6348 9.237537 -1.083710      13.50107 
1 1 1 4   4  37 o 62.08551 19.07817 116.2558       76.16856 77.90250       122.1243 140.6737       97.44387 61.41089 23.78723 68.47340 21.66290 -7.062508      32.17318 
1 1 1 4   4  38 o 167.1676 8.867120 826.7113       86.62212 847.4190       92.33305 674.6780       250.1847 169.1730 9.342545 144.2434 30.52757 24.92961       31.92515 
1 1 1 4   4  39 o 162.3025 9.265633 780.5649       87.82996 815.9220       93.39170 509.9564       258.3692 165.8789 9.641452 123.6822 34.38164 42.19676       35.70791 
1 1 1 4   4  40 o 268.8001 7.645175 2132.762       120.3998 2155.587       130.8705 2007.001       307.1925 270.0847 8.271864 255.5083 20.67656 14.57639       22.26979 
1 1 1 4   4  41 o 159.6173 9.703590 758.4057       90.40788 812.9089       96.76955 384.2869       253.5318 165.1888 10.03602 106.5324 35.05297 58.65640       36.46138 
1 1 1 4   4  42 o 74.52250 17.74100 176.9651       76.41669 190.5289       79.62973 18.99048       271.7555 77.31346 17.91322 73.95632 32.49587 3.357140       37.10613 
1 1 1 4   4  43 o 114.1030 12.17383 395.6846       80.20887 354.4655       83.68939 860.5469       281.0497 107.4659 13.58127 156.3780 31.73069 -48.91208      34.51504 
1 1 1 4   4  44 o 297.3004 10.74558 2652.740       187.0513 2652.740       187.0513 0.000000       0.000000 297.3004 10.74558 ?        ?        0.000000       10.74558 
1 1 1 4   4  45 o 85.70313 17.05395 235.8160       82.70191 230.0923       85.76197 311.7560       312.3864 84.29930 17.90054 94.36771 37.58843 -10.06841      41.63315 
1 1 1 4   4  46 o 103.7217 14.75233 337.5052       87.21152 306.3734       90.61547 728.6812       321.2081 98.03548 16.33493 131.7212 38.89669 -33.68573      42.18747 
1 1 1 4   4  47 f 69.16281 20.56022 159.9818       89.50449 176.9143       93.20456 -40.66891      320.8463 72.45953 20.82738 70.79558 32.75344 1.663956       38.81453 
1 1 1 4   4  48 o 118.1372 14.93429 441.0035       101.1637 429.3381       105.9112 562.4415       341.7190 115.9472 16.00125 109.5551 40.36893 6.392082       43.42454 
1 1 1 4   4  49 o 40.49403 18.54818 -45.74435      99.34184 62.07429       148.4642 -133.1555      133.6775 58.92592 24.92568 41.45105 19.77223 17.47488       31.81557 
1 1 1 4   4  50 o 145.7923 14.36907 670.6583       121.2657 613.7607       172.7195 725.9713       170.2973 132.5208 23.06033 146.8590 20.31580 -14.33823      30.73289 
1 1 1 4   4  51 o 149.7063 14.83577 711.8466       128.5455 712.1641       183.7976 711.5426       179.8483 142.9035 22.68769 143.4121 22.09130 -0.5085754     31.66634 
1 1 1 4   5  0  o 493.2483 12.32949 7146.539       356.6655 6976.515       495.4338 7329.455       513.8740 486.6268 17.38752 498.7718 17.59483 -12.14496      24.73669 
1 1 1 4   5  1  o 366.9030 9.951155 3954.851       213.9312 3837.071       296.1651 4083.355       309.3544 361.0612 14.01290 372.4682 14.18768 -11.40707      19.94120 
1 1 1 4   5  2  o 944.4302 15.72889 26230.56       871.2014 26232.66       1012.566 26224.57       1709.458 943.9916 18.28961 939.9297 31.05339 4.061890       36.03919 
1 1 1 4   5  3  o 850.1160 11.71737 21227.27       584.1961 21498.41       834.7414 20966.98       817.8729 854.8093 16.65069 844.2000 16.51924 10.60925       23.45486 
1 1 1 4   5  4  f 319.8156 6.345295 3000.830       119.0151 2958.829       148.8919 3075.156       198.0678 317.4212 8.004447 323.4427 10.45531 -6.021484      13.16756 
1 1 1 4   5  5  o 143.4684 8.080706 606.0251       67.71690 678.2441       92.83446 523.9041       98.99438 151.6078 10.50586 132.8981 12.86166 18.70973       16.60709 
1 1 1 4   5  6  o 582.0094 8.501759 9943.829       290.1945 9872.423       498.3362 9980.468       356.9627 579.1066 14.68466 582.9193 10.44153 -3.812622      18.01845 
1 1 1 4   5  7  o 133.7431 5.704987 525.7672       44.64550 480.8055       84.17889 543.3641       52.66229 127.4027 11.38600 135.9119 6.626784 -8.509216      13.17404 
1 1 1 4   5  8  o 544.5024 6.953362 8702.497       222.0471 8534.340       306.0162 8889.479       322.6910 538.9695 9.681212 550.0342 10.00338 -11.06464      13.92097 
1 1 1 4   5  9  o 507.9324 6.572271 7572.577       195.7816 7456.063       270.7528 7700.263       283.4366 503.7845 9.163843 511.9392 9.440326 -8.154633      13.15659 
1 1 1 4   5  10 o 437.1961 5.883047 5609.268       150.8444 5458.735       206.1049 5782.915       221.3638 431.1378 8.151204 443.7262 8.506307 -12.58841      11.78131 
1 1 1 4   5  11 o 616.2751 7.720506 11150.57       279.0429 11049.60       389.5070 11257.03       399.9528 613.1185 10.83229 618.8208 11.02030 -5.702332      15.45268 
1 1 1 4   5  12 o 388.0579 5.466309 4418.111       124.4059 4360.749       173.3389 4479.047       178.6546 385.4345 7.668226 390.6209 7.798450 -5.186340      10.93698 
1 1 1 4   5  13 o 297.5743 4.884006 2597.495       85.23581 2658.486       122.1444 2539.604       119.0004 300.9976 6.919265 294.1913 6.897123 6.806366       9.769674 
1 1 1 4   5  14 f 472.9322 6.317347 6561.686       175.2202 6666.845       251.2123 6462.054       244.5207 476.5961 8.987521 469.2238 8.885566 7.372223       12.63839 
1 1 1 4   5  15 o 385.4089 5.637522 4357.145       127.4267 4464.338       183.8309 4258.002       176.7923 390.0570 8.035999 380.9402 7.913270 9.116852       11.27817 
1 1 1 4   5  16 o 771.9808 9.482100 17490.77       429.3007 17501.55       606.8754 17479.97       607.3705 771.8857 13.40590 771.4078 13.42515 0.4779663      18.97242 
1 1 1 4   5  17 o 580.0279 7.507436 9870.986       255.3824 9705.880       352.0319 10054.41       371.0486 575.0068 10.43899 585.2170 10.81094 -10.21014      15.02827 
1 1 1 4   5  18 o 428.5204 6.381758 5387.013       160.3845 5302.146       222.3114 5479.128       231.6100 425.0455 8.918170 432.0721 9.140093 -7.026581      12.77008 
1 1 1 4   5  19 o 184.9577 8.151251 1005.832       88.20218 1052.183       131.0999 967.5024       119.2184 188.9039 11.89381 181.1651 11.27656 7.738815       16.38974 
1 1 1 4   5  20 o 196.6560 7.889873 1136.730       90.81244 1118.933       132.7886 1152.367       124.4709 194.8326 11.67468 197.8073 10.77002 -2.974686      15.88369 
1 1 1 4   5  21 o 235.6163 6.639777 1630.153       91.65919 1552.183       132.8636 1700.961       126.6135 229.7104 9.885365 240.5485 8.990664 -10.83815      13.36235 
1 1 1 4   5  22 o 983.2647 11.89876 28411.72       686.1560 28984.11       996.5006 27895.66       946.1949 991.9755 17.12877 973.3088 16.57599 18.66669       23.83607 
1 1 1 4   5  23 o 394.2623 6.116045 4561.271       141.4186 4656.306       203.1554 4471.925       196.9797 398.2103 8.698919 390.2522 8.606483 7.958099       12.23694 
1 1 1 4   5  24 o 686.5079 8.654279 13842.06       348.4391 13955.34       496.8802 13732.45       488.7550 688.7546 12.30089 683.2504 12.19722 5.504211       17.32294 
1 1 1 4   5  25 o 120.3299 9.723508 428.3405       68.03542 372.3842       133.3500 448.0321       79.10594 110.2390 21.39746 122.9250 11.09203 -12.68602      24.10155 
1 1 1 4   5  26 o 327.8395 5.660676 3154.633       108.8379 3171.939       153.6113 3137.187       154.2306 328.5868 7.971179 326.7760 8.047667 1.810760       11.32716 
1 1 1 4   5  27 o 138.3687 7.520519 564.1545       60.79961 532.4897       88.32599 592.6697       83.81827 133.9909 11.34648 141.5588 10.16369 -7.567871      15.23297 
1 1 1 4   5  28 o 313.5627 5.635862 2886.635       103.6419 2999.510       151.3107 2786.871       142.2519 319.3298 8.085917 307.8191 7.886235 11.51071       11.29490 
1 1 1 4   5  29 o 307.5060 5.654222 2776.617       101.9711 2862.203       149.2198 2701.634       139.6711 311.8744 8.165258 303.0326 7.865640 8.841827       11.33754 
1 1 1 4   5  30 o 253.0879 5.706371 1881.115       84.69971 1970.376       123.8169 1802.607       116.1201 258.6914 8.171329 247.4416 8.012300 11.24979       11.44411 
1 1 1 4   5  31 o 231.1695 6.205915 1571.076       84.06088 1627.113       123.9359 1523.333       114.3964 234.9288 9.011905 227.3579 8.594772 7.570923       12.45329 
1 1 1 4   5  32 o 203.5159 9.003124 1221.649       107.1929 1243.156       125.1769 1162.516       207.5665 205.0992 10.44097 196.7483 18.19457 8.350922       20.97752 
1 1 1 4   5  33 o 55.93754 19.51531 83.74387       78.66969 7.644486       113.4675 154.1861       109.1685 51.41600 21.77179 72.13911 22.94209 -20.72311      31.62831 
1 1 1 4   5  34 o 215.4248 7.661826 1366.495       96.64658 1392.511       143.8873 1345.108       130.4556 216.9389 11.34873 213.3496 10.45792 3.589279       15.43249 
1 1 1 4   5  35 o 60.02662 18.30790 108.1037       70.31017 41.98666       103.4268 164.9118       95.86980 53.49877 21.51975 73.26225 21.14310 -19.76348      30.16837 
1 1 1 4   5  36 o 224.9417 7.568218 1490.620       99.70000 1517.759       108.3947 1341.522       254.0659 226.8981 8.158949 210.1483 20.89071 16.74977       22.42744 
1 1 1 4   5  37 o 37.24630 16.51297 -23.00217      71.68245 -10.48242      74.88851 -159.9016      247.6385 39.71159 17.26118 62.92471 28.99162 -23.21312      33.74111 
1 1 1 4   5  38 o 144.4681 10.27345 620.1125       86.47607 633.4984       91.32381 503.9752       268.9955 145.9381 10.74535 123.2858 35.36556 22.65233       36.96194 
1 1 1 4   5  39 o 317.2807 7.172317 2965.124       133.4608 2998.133       146.7401 2807.113       321.0551 318.9025 7.845858 304.6322 18.05114 14.27026       19.68251 
1 1 1 4   5  40 o 202.6279 8.619494 1215.235       102.1970 1252.254       110.0964 984.6803       274.7560 205.5754 9.154656 174.8946 27.70930 30.68083       29.18241 
1 1 1 4   5  41 o 51.43747 19.25942 63.90916       78.36321 66.21802       81.99775 39.58294       266.1586 52.44764 19.68780 75.71676 32.72718 -23.26912      38.19264 
1 1 1 4   5  42 o 33.81363 15.54540 -47.64315      70.66100 -58.39211      73.60258 78.82680       252.4664 33.63282 15.60436 75.89816 32.32009 -42.26533      35.88989 
1 1 1 4   5  43 o 56.99637 18.89967 98.28818       73.65830 109.3717       76.45226 -45.09211      274.9767 59.52166 19.22639 69.48521 31.44835 -9.963551      36.85991 
1 1 1 4   5  44 o 78.63868 17.98056 199.5956       81.11597 214.7562       84.45788 19.31781       291.2416 81.57513 18.12433 74.13657 33.05128 7.438568       37.69455 
1 1 1 4   5  45 o 164.8849 13.34840 833.6132       127.9777 880.3094       137.9648 545.6586       342.6018 169.0805 14.03965 113.8566 40.63593 55.22388       42.99291 
1 1 1 4   5  46 o 185.0249 9.328921 1027.627       100.9041 1030.536       106.2871 1001.071       321.1365 185.0532 9.828652 160.6431 35.07198 24.41008       36.42316 
1 1 1 4   5  47 o 57.46569 21.23957 95.41787       94.71821 103.9594       99.21304 7.507548       318.2891 59.29644 21.76847 72.71400 33.26664 -13.41756      39.75595 
1 1 1 4   5  48 o 132.0749 14.48048 548.0293       110.3272 580.1379       117.3739 304.4509       323.2810 135.5973 15.01050 89.30933 37.21340 46.28799       40.12670 
1 1 1 4   5  49 o 37.06193 17.45663 -84.48589      98.03078 -70.83314      102.2568 -239.4970      344.5587 39.06425 18.21478 63.54019 30.67811 -24.47594      35.67807 
1 1 1 4   5  50 o 74.20287 21.90956 192.9790       101.9170 232.6392       152.7559 161.1613       136.8217 79.22373 27.21621 69.10390 25.52985 10.11983       37.31615 
1 1 1 4   5  51 o 59.16210 22.97099 101.4050       114.0940 155.1834       154.2815 36.49673       169.4960 68.77336 26.70939 58.36045 25.65272 10.41291       37.03314 
1 1 1 4   6  0  o 545.1744 13.36145 8734.607       427.2083 8793.104       606.6750 8677.069       601.6833 546.0650 18.97237 542.4506 18.94193 3.614380       26.80947 
1 1 1 4   6  1  o 861.8355 28.57931 22024.68       1442.532 0.000000       0.000000 22024.68       1442.532 ?        ?        861.8355 28.57931 0.000000       28.57931 
1 1 1 4   6  2  o 919.2078 15.29668 24850.61       824.6345 24761.23       954.6934 25113.23       1636.542 917.0825 17.75027 919.5620 30.38733 -2.479431      35.19179 
1 1 1 4   6  3  o 322.9818 6.880210 3060.895       130.3257 3136.575       154.9811 2878.161       240.8226 326.9113 8.083479 312.6573 13.16288 14.25397       15.44681 
1 1 1 4   6  4  o 494.4143 8.081651 7174.670       234.3374 7289.858       303.2773 7004.002       369.1566 498.2187 10.37933 487.9810 12.91037 10.23761       16.56528 
1 1 1 4   6  5  o 253.6781 5.993883 1888.104       89.17474 1852.344       109.6768 1957.855       153.1770 251.1161 7.455396 257.9906 10.14346 -6.874451      12.58860 
1 1 1 4   6  6  o 472.7219 7.216317 6558.718       200.0653 6695.866       357.6665 6496.267       241.3558 477.0132 12.79646 470.3674 8.749233 6.645813       15.50156 
1 1 1 4   6  7  o 283.1575 5.404695 2352.483       89.75316 2441.729       163.1141 2313.728       107.4886 288.1353 9.666286 280.7784 6.527523 7.356934       11.66386 
1 1 1 4   6  8  o 507.6240 6.575683 7563.287       195.7643 7643.768       280.0341 7486.362       273.7770 510.0732 9.361120 504.8055 9.247458 5.267670       13.15850 
1 1 1 4   6  9  o 296.4666 4.688999 2578.619       81.52792 2551.776       113.6769 2607.050       116.9902 294.8488 6.573889 298.0198 6.693511 -3.170959      9.381849 
1 1 1 4   6  10 o 594.8913 7.485479 10390.06       261.1606 10294.43       364.6252 10490.79       374.2361 591.8026 10.50556 597.3962 10.68151 -5.593628      14.98204 
1 1 1 4   6  11 o 645.2299 8.032533 12222.88       303.9607 12078.82       422.8990 12376.83       437.1877 641.0450 11.24858 648.8716 11.48838 -7.826599      16.07835 
1 1 1 4   6  12 o 575.4987 7.299024 9719.952       246.3540 9766.637       350.1119 9674.172       346.7074 576.6409 10.35264 573.9095 10.30076 2.731384       14.60420 
1 1 1 4   6  13 o 914.0730 11.03297 24538.17       591.4578 24272.31       823.5911 24821.29       849.9257 908.4440 15.45834 918.6032 15.77620 -10.15918      22.08730 
1 1 1 4   6  14 o 66.13840 9.922888 131.2526       37.30327 100.2282       59.20158 151.6811       48.03970 57.74828 16.59909 70.89823 11.97990 -13.14995      20.47066 
1 1 1 4   6  15 o 643.4603 8.083055 12148.97       305.0337 12291.92       436.6617 12012.72       426.2907 647.0244 11.50731 639.6443 11.36362 7.380127       16.17251 
1 1 1 4   6  16 o 407.3597 5.834966 4867.658       139.4013 4900.077       198.0107 4835.801       196.2871 408.6462 8.262105 405.9578 8.244426 2.688416       11.67189 
1 1 1 4   6  17 o 166.1188 6.387804 810.7331       62.11706 776.3797       88.24581 844.4721       87.45313 162.3780 9.305479 169.4039 8.832918 -7.025894      12.83014 
1 1 1 4   6  18 o 605.5890 7.954098 10761.41       282.5006 10643.16       393.1049 10887.71       406.2519 602.0580 11.13319 608.9177 11.37591 -6.859680      15.91726 
1 1 1 4   6  19 o 376.1772 6.483191 4151.579       143.0315 4424.522       214.1121 3931.619       192.2101 388.2436 9.403430 365.9967 8.954648 22.24689       12.98500 
1 1 1 4   6  20 o 389.6213 6.448456 4453.794       147.3496 4300.583       203.6554 4622.109       213.4576 382.7644 9.072227 396.8104 9.172297 -14.04602      12.90102 
1 1 1 4   6  21 o 1362.114 16.22931 54601.98       1296.475 54422.88       1824.864 54784.51       1842.243 1357.458 22.92206 1361.900 23.06488 -4.442017      32.51783 
1 1 1 4   6  22 o 355.4467 5.991328 3706.978       124.8959 3795.731       181.0712 3626.429       172.4993 359.5674 8.586550 351.4674 8.368579 8.099945       11.99008 
1 1 1 4   6  23 o 408.8396 6.202627 4905.045       148.7233 4897.527       209.1362 4912.737       211.5374 408.3801 8.732011 409.0078 8.818709 -0.6277161     12.41039 
1 1 1 4   6  24 f 701.1644 8.802013 14441.20       361.9532 14574.01       516.4350 14312.97       507.4418 703.7677 12.51226 697.4568 12.40562 6.310913       17.61976 
1 1 1 4   6  25 f 465.6416 6.496195 6365.012       177.4032 6241.503       243.9395 6503.664       258.4618 460.8674 9.025174 470.4082 9.368518 -9.540863      13.00857 
1 1 1 4   6  26 o 265.5723 5.515172 2070.081       85.89986 2164.575       125.2243 1986.098       118.0541 271.3222 7.877942 259.8974 7.753797 11.42480       11.05366 
1 1 1 4   6  27 o 299.0213 5.591395 2624.810       98.05570 2632.464       139.1452 2617.260       138.2030 299.1872 7.937040 298.3247 7.906071 0.8625183      11.20279 
1 1 1 4   6  28 o 259.0113 5.717853 1969.745       86.85647 1995.333       128.0318 1947.928       118.2212 260.3629 8.395686 257.3102 7.843231 3.052704       11.48929 
1 1 1 4   6  29 o 240.1541 5.814556 1693.711       81.89494 1836.527       122.1474 1577.089       110.3786 249.7411 8.351317 231.4331 8.144914 18.30792       11.66551 
1 1 1 4   6  30 o 204.0079 6.144652 1223.686       73.43437 1199.176       105.6357 1246.607       102.1555 201.6501 8.954600 205.6652 8.487596 -4.015182      12.33792 
1 1 1 4   6  31 o 500.8886 9.903274 7391.916       290.9179 7297.196       393.6309 7505.928       431.8617 496.4755 13.53150 503.1212 14.65158 -6.645721      19.94418 
1 1 1 4   6  32 f 54.24602 17.92544 83.69109       66.27685 -19.01056      101.2287 160.7461       87.68305 45.68726 19.96004 72.24990 20.00840 -26.56264      28.26198 
1 1 1 4   6  33 o 310.0562 9.774800 2834.630       177.5235 2762.521       226.1491 2950.404       286.5522 305.5155 12.64886 315.0180 15.55835 -9.502502      20.05133 
1 1 1 4   6  34 o 472.1505 7.529275 6555.555       208.4895 6569.134       240.0356 6513.840       420.7203 472.4232 8.663512 468.3257 15.33844 4.097504       17.61602 
1 1 1 4   6  35 o 278.4523 7.072594 2281.448       115.4060 2330.190       127.4563 2059.625       271.9011 281.3194 7.732555 262.1465 17.79086 19.17291       19.39864 
1 1 1 4   6  36 o 69.30323 18.42789 148.9032       76.18763 156.6590       79.76791 68.27691       257.1898 71.04371 18.83992 79.49876 33.16403 -8.455055      38.14178 
1 1 1 4   6  37 o 183.5064 8.494014 994.7059       91.16643 965.7527       96.77276 1223.092       271.7941 180.7023 9.161326 198.9798 23.75955 -18.27754      25.46461 
1 1 1 4   6  38 o 144.1447 9.986964 616.9831       83.90525 638.0800       88.59054 433.2101       261.4685 146.5282 10.37609 114.9849 35.35003 31.54336       36.84139 
1 1 1 4   6  39 o 105.3729 14.17295 337.0032       85.36808 322.7486       89.20454 492.1126       294.2589 102.8090 15.25676 121.0031 37.55341 -18.19413      40.53427 
1 1 1 4   6  40 o 133.0438 11.42555 529.8416       88.28771 505.8289       92.62691 768.2700       291.8742 129.7561 12.31951 150.6611 33.85953 -20.90504      36.03107 
1 1 1 4   6  41 o 244.5728 7.807667 1769.828       111.8467 1773.121       121.2785 1751.090       289.2771 244.6088 8.466750 236.8045 21.04833 7.804306       22.68740 
1 1 1 4   6  42 o 68.53125 18.96940 150.2124       78.83415 187.3160       82.27130 -266.2123      275.6186 76.42278 18.54621 59.60245 28.41950 16.82034       33.93567 
1 1 1 4   6  43 f 148.7408 10.13112 663.6341       87.84926 664.1594       92.75223 659.0565       273.8244 148.6040 10.71443 133.6926 34.64405 14.91142       36.26305 
1 1 1 4   6  44 o 139.3973 11.48636 588.3908       93.07225 579.3718       97.75065 675.9037       304.4921 138.0415 12.19968 131.4654 37.59960 6.576065       39.52925 
1 1 1 4   6  45 o 72.32967 20.52038 173.3544       91.05714 143.0211       95.52452 475.0894       301.2783 66.46340 21.49306 108.2198 38.15723 -41.75642      43.79413 
1 1 1 4   6  46 o 55.37254 20.75788 83.60426       91.08890 114.5911       95.23556 -249.1626      312.0906 61.03636 21.45887 62.05595 29.76464 -1.019592      36.69355 
1 1 1 4   6  47 o 44.23992 19.32049 -0.5563607     94.76860 -69.52446      99.14558 729.2253       322.5119 38.70615 18.01009 128.7971 39.19612 -90.09090      43.13582 
1 1 1 4   6  48 o 82.32636 21.28182 233.2791       103.5000 266.3348       109.5976 -39.23520      314.6825 87.96118 21.44258 69.12669 32.13813 18.83450       38.63474 
1 1 1 4   6  49 o 85.55306 21.05421 252.5089       104.9108 284.3220       109.7174 -86.90135      358.3728 90.93562 20.99701 69.81661 33.03297 21.11900       39.14144 
1 1 1 4   6  50 o 77.53564 22.48376 212.8442       108.1744 241.1193       112.0697 -172.8193      413.8946 82.43137 22.53896 69.80215 33.68215 12.62921       40.52767 
1 1 1 4   6  51 o 220.4151 10.33683 1480.641       133.2502 1406.188       176.9086 1578.268       202.5774 211.1136 14.37409 222.2838 15.63916 -11.17017      21.24142 
1 1 1 4   7  0  o 155.0035 6.810425 706.3466       61.75964 726.6267       87.07561 685.8170       87.60947 157.0307 9.499424 152.5118 9.847469 4.518921       13.68253 
1 1 1 4   7  1  o 405.5432 7.970426 4827.045       189.5698 4934.945       227.2815 4580.381       343.6409 409.9767 9.452668 394.3315 14.88584 15.64520       17.63352 
1 1 1 4   7  2  o 652.0251 11.18739 12489.17       427.8027 12266.48       489.5577 13208.59       879.9162 645.9912 12.92191 668.3430 22.48071 -22.35175      25.92987 
1 1 1 4   7  3  f 722.3583 11.18638 15330.28       473.9067 15023.43       734.2214 15549.40       620.4603 714.1076 17.53125 727.0257 14.55170 -12.91809      22.78369 
1 1 1 4   7  4  o 499.8173 7.474281 7332.272       219.0944 7450.461       311.5051 7216.567       308.2136 503.6024 10.54695 495.6298 10.60337 7.972687       14.95559 
1 1 1 4   7  5  o 214.4705 6.007776 1350.751       75.49247 1358.414       91.38982 1334.290       133.9473 215.0082 7.257972 212.8211 10.76668 2.187119       12.98459 
1 1 1 4   7  6  o 131.4932 5.103580 508.0521       39.28288 502.5580       62.58034 511.6246       50.46360 130.5670 8.214108 131.8696 6.545494 -1.302658      10.50310 
1 1 1 4   7  7  o 97.25066 6.296424 278.7337       35.71876 261.2517       81.46398 282.8945       39.74270 92.92010 15.49405 97.92238 6.965780 -5.002274      16.98786 
1 1 1 4   7  8  o 497.5133 6.505786 7265.188       189.8257 7176.860       264.4102 7359.134       272.6893 494.2508 9.121798 500.4701 9.290508 -6.219360      13.02001 
1 1 1 4   7  9  o 405.2544 5.604312 4819.168       133.1989 4684.712       181.9191 4974.549       195.5635 399.4359 7.765700 411.5830 8.101771 -12.14706      11.22251 
1 1 1 4   7  10 o 596.2577 7.514291 10436.74       262.7680 10141.02       357.4140 10784.60       387.6443 587.4579 10.37395 605.7448 10.91172 -18.28693      15.05605 
1 1 1 4   7  11 o 674.8174 8.359913 13368.76       330.8556 13190.47       459.1104 13561.40       477.2156 669.9362 11.68512 679.2518 11.97935 -9.315613      16.73460 
1 1 1 4   7  12 o 328.5798 5.024917 3167.016       96.83231 3161.859       136.7090 3172.209       137.1753 328.2564 7.101225 328.7929 7.113824 -0.5364380     10.05156 
1 1 1 4   7  13 o 115.2174 7.915184 391.3845       53.15975 403.2624       58.00076 329.0083       132.9148 116.9121 8.517520 103.6475 22.51157 13.26464       24.06904 
1 1 1 4   7  14 o 1058.018 12.67634 32878.07       786.5702 33117.18       1122.903 32647.72       1102.144 1060.982 18.04612 1053.474 17.83872 7.507690       25.37484 
1 1 1 4   7  15 o 766.3765 9.412451 17237.57       423.0536 17505.44       610.1840 16989.61       587.0620 771.9625 13.47765 760.5344 13.16178 11.42804       18.83824 
1 1 1 4   7  16 o 372.8673 5.625968 4078.162       123.0275 4026.602       171.3610 4133.007       176.7377 370.4469 7.887431 375.3055 8.029600 -4.858521      11.25549 
1 1 1 4   7  17 o 653.6890 9.645968 12542.40       369.8005 12741.21       652.4766 12448.32       448.8525 657.9768 16.92250 651.0807 11.75488 6.896057       20.60457 
1 1 1 4   7  18 o 507.4583 7.131874 7555.491       212.2534 7677.599       305.8414 7442.037       294.8058 511.3942 10.19741 503.4997 9.983582 7.894531       14.27092 
1 1 1 4   7  19 o 362.4090 6.365091 3853.238       135.2864 4066.415       202.1019 3680.160       182.1045 372.1999 9.258566 354.1003 8.768875 18.09955       12.75203 
1 1 1 4   7  20 o 739.5402 9.269110 16055.53       402.0225 16100.66       569.3738 16010.66       567.7211 740.1687 13.11645 738.0974 13.11508 2.071289       18.54849 
1 1 1 4   7  21 o 198.4622 6.615330 1156.996       76.89046 1259.285       117.1742 1079.640       101.8982 206.8637 9.685111 191.5501 9.096537 15.31357       13.28715 
1 1 1 4   7  22 f 469.2748 6.648319 6462.532       182.9741 6508.991       259.0493 6416.276       258.4805 470.7826 9.382347 467.4142 9.429213 3.368469       13.30182 
1 1 1 4   7  23 o 602.7070 7.817708 10665.05       276.3352 10592.20       387.0993 10740.75       394.6027 600.2872 10.99544 604.4639 11.13113 -4.176636      15.64614 
1 1 1 4   7  24 o 305.3108 6.181503 2735.835       110.6845 2782.160       145.9176 2673.061       169.8591 307.6815 8.093437 301.4454 9.620247 6.236115       12.57191 
1 1 1 4   7  25 o 548.4749 7.246508 8833.971       233.0966 8958.500       334.2887 8716.123       325.1961 551.9200 10.32750 544.4243 10.18491 7.495789       14.50481 
1 1 1 4   7  26 o 148.6287 7.066478 650.2631       61.42010 582.3063       93.39888 702.0437       81.52843 140.1637 11.46203 154.2653 9.051128 -14.10155      14.60483 
1 1 1 4   7  27 o 198.7151 6.070559 1160.544       70.66438 1196.081       110.3400 1135.834       92.00833 201.4287 9.365945 196.4217 8.003828 5.006943       12.31999 
1 1 1 4   7  28 o 335.0212 5.841136 3295.777       114.7678 3268.968       162.3528 3322.555       162.2597 333.4239 8.302568 336.1537 8.230426 -2.729767      11.69070 
1 1 1 4   7  29 o 601.2557 7.792878 10629.61       274.7942 10506.76       381.8014 10761.65       395.8127 596.9966 10.90473 604.1152 11.17170 -7.118591      15.61154 
1 1 1 4   7  30 f 217.9761 8.109041 1399.539       103.4835 1485.403       120.5226 1158.636       201.8765 224.4339 9.175853 196.5610 17.70153 27.87288       19.93841 
1 1 1 4   7  31 f 102.5417 11.24356 313.8714       66.50930 339.9861       70.43970 99.25893       201.9308 106.7405 11.42996 75.74174 30.20396 30.99879       32.29432 
1 1 1 4   7  32 o 350.6810 6.721995 3613.961       138.2487 3682.657       157.6282 3384.982       287.7848 353.8926 7.594721 337.7419 14.56311 16.15070       16.42449 
1 1 1 4   7  33 o 303.2289 8.500335 2707.690       151.0179 2703.749       177.0276 2718.224       289.4245 302.7659 9.983381 302.0955 16.39727 0.6703796      19.19735 
1 1 1 4   7  34 o 88.71066 15.07108 239.6930       75.60746 285.8853       79.93660 -152.4497      232.9072 97.19749 14.46292 61.54068 28.26704 35.65681       31.75219 
1 1 1 4   7  35 o 239.5640 7.413348 1689.813       104.0312 1683.110       113.0667 1726.792       265.5794 238.9967 8.078242 239.4784 19.06671 -0.4817657     20.70742 
1 1 1 4   7  36 o 164.9532 11.49467 808.5837       110.5050 858.7298       121.2532 562.7582       268.4655 169.8651 12.25370 131.1281 34.46396 38.73697       36.57756 
1 1 1 4   7  37 o 53.59795 19.36837 73.26765       78.10272 78.21786       81.10655 10.12663       289.6678 54.98247 19.75426 78.81081 34.10329 -23.82833      39.41148 
1 1 1 4   7  38 o 68.48041 19.01578 145.8358       79.08127 162.9837       82.62286 -41.42103      273.0322 72.20583 19.18611 73.09591 32.32590 -0.8900833     37.59083 
1 1 1 4   7  39 o 217.9428 8.406068 1403.959       107.2435 1388.018       114.0213 1526.211       315.7592 216.5756 8.996478 220.8185 24.81077 -4.242874      26.39149 
1 1 1 4   7  40 o 236.8468 8.010801 1658.287       111.1139 1592.677       117.9134 2178.459       332.0083 231.9450 8.683510 265.2197 21.52982 -33.27472      23.21500 
1 1 1 4   7  41 o 125.1286 11.59375 471.2961       84.11329 468.1764       88.19790 502.6565       279.6347 124.5296 12.23409 118.6928 36.56958 5.836800       38.56173 
1 1 1 4   7  42 o 165.1991 9.563501 814.7911       92.26025 841.5175       97.70000 594.6370       280.4066 167.7650 9.974879 127.0560 35.99758 40.70902       37.35403 
1 1 1 4   7  43 o 35.88353 16.35388 -41.05223      75.97043 -29.04416      78.99162 -189.0855      277.3474 37.97732 17.05080 62.37942 29.37558 -24.40210      33.96549 
1 1 1 4   7  44 o 42.43356 18.03819 10.10876       78.40247 8.497458       81.67839 28.99568       279.6404 42.98462 18.34626 73.24719 32.53662 -30.26257      37.35261 
1 1 1 4   7  45 o 121.9140 13.13628 457.8488       92.44332 444.7336       96.82775 592.9097       310.7254 119.7275 14.05717 119.2496 38.77974 0.4779510      41.24891 
1 1 1 4   7  46 o 65.05703 20.88276 138.2115       90.28774 167.4851       94.21624 -191.0200      315.9645 70.77190 21.10810 64.47785 30.65483 6.294044       37.21923 
1 1 1 4   7  47 o 34.22781 16.43737 -120.5587      95.84409 -82.57711      100.1279 -536.1617      331.2132 37.89715 17.78477 54.85340 27.19810 -16.95625      32.49669 
1 1 1 4   7  48 o 43.54770 19.51806 -21.61606      103.0169 -36.64476      108.3090 120.9984       333.6455 43.25955 19.64166 78.05603 35.04406 -34.79648      40.17314 
1 1 1 4   7  49 o 71.35101 22.74475 176.9833       107.2472 199.7618       111.0113 -141.9237      415.3716 75.31459 23.01115 71.49750 34.30507 3.817093       41.30799 
1 1 1 4   7  50 o 90.47837 22.34597 289.2258       117.8650 259.4644       121.4338 773.3579       489.7723 84.87992 23.56173 111.2581 46.03309 -26.37818      51.71268 
1 1 1 4   8  0  o 382.1815 8.628708 4288.333       193.4042 0.000000       0.000000 4288.333       193.4042 ?        ?        382.1815 8.628708 0.000000       8.628708 
1 1 1 4   8  1  o 325.4599 8.374881 3111.763       159.7224 3266.271       215.6383 2923.962       237.7384 333.2267 11.04935 315.0781 12.89285 18.14862       16.97980 
1 1 1 4   8  2  o 442.8763 8.282639 5758.317       215.1304 5724.559       250.2861 5853.806       420.9395 441.4824 9.666578 445.5147 16.13709 -4.032318      18.81086 
1 1 1 4   8  3  o 191.0115 5.261413 1071.237       58.88417 1085.888       79.78776 1053.713       87.26299 192.2165 7.089897 189.2923 7.877652 2.924164       10.59830 
1 1 1 4   8  4  o 332.7336 5.868274 3248.678       114.5137 3217.112       157.8799 3283.721       166.3452 331.0105 8.132698 334.2928 8.491501 -3.282379      11.75782 
1 1 1 4   8  5  o 384.0726 6.912241 4329.982       155.6979 4412.825       200.0451 4202.686       247.9759 387.6078 8.800042 377.9102 11.20082 9.697632       14.24427 
1 1 1 4   8  6  o 188.4034 4.671056 1041.375       51.61245 1090.132       80.13684 1006.815       67.46901 192.5719 7.107791 185.1120 6.223537 7.459930       9.447386 
1 1 1 4   8  7  o 545.8790 7.430435 8748.920       237.8818 9042.917       372.8372 8547.067       308.9331 554.4986 11.46485 539.3007 9.767488 15.19794       15.06143 
1 1 1 4   8  8  o 285.7367 5.463806 2395.708       91.56126 2477.981       169.0490 2361.553       108.9211 290.2149 9.946833 283.6525 6.547492 6.562408       11.90836 
1 1 1 4   8  9  o 597.8857 7.539464 10494.02       264.3682 10351.45       367.0732 10647.67       381.0654 593.4937 10.54596 601.8942 10.79515 -8.400513      15.09147 
1 1 1 4   8  10 o 126.0454 4.730042 466.7124       34.90368 406.1347       51.56520 517.9372       47.41772 117.3890 7.529649 132.7188 6.108350 -15.32976      9.695749 
1 1 1 4   8  11 o 431.9098 5.894428 5472.930       149.3087 5366.557       205.4331 5592.038       217.3821 427.5941 8.191967 436.4692 8.492189 -8.875061      11.79939 
1 1 1 4   8  12 o 251.8510 4.642072 1860.453       68.56557 1852.306       96.95138 1868.605       96.98136 251.1803 6.587079 252.2850 6.560168 -1.104675      9.296527 
1 1 1 4   8  13 o 640.7821 8.036970 12048.45       302.0322 11893.14       418.7563 12216.85       436.0441 636.4371 11.21903 645.0171 11.52680 -8.579956      16.08520 
1 1 1 4   8  14 o 290.1579 5.937658 2469.664       101.0416 2564.817       186.4040 2430.072       120.2387 295.3829 10.77824 287.8010 7.123630 7.581909       12.91962 
1 1 1 4   8  15 o 136.5451 6.828506 548.3441       54.50948 480.3406       87.91193 590.8179       69.47731 127.3454 11.90915 141.6468 8.401193 -14.30136      14.57422 
1 1 1 4   8  16 o 105.7642 8.272890 330.2487       50.90721 295.0416       81.54955 352.7285       65.16328 99.17102 14.44543 109.1333 10.30305 -9.962326      17.74327 
1 1 1 4   8  17 o 754.5406 9.406873 16710.71       416.2731 16563.02       580.2334 16867.34       597.5465 750.8589 13.17631 757.6964 13.44702 -6.837463      18.82651 
1 1 1 4   8  18 o 649.5366 8.425303 12381.60       320.9517 12357.09       449.7136 12407.03       458.1935 648.6412 11.82173 649.9332 12.02070 -1.291931      16.85973 
1 1 1 4   8  19 o 860.4282 10.58189 21739.35       533.9839 21461.17       741.0053 22039.86       770.1736 854.3466 14.78893 865.7280 15.16899 -11.38147      21.18515 
1 1 1 4   8  20 o 431.6592 6.496497 5466.997       164.4640 5270.937       221.9840 5705.569       244.8710 423.7414 8.932442 440.8365 9.471295 -17.09509      13.01898 
1 1 1 4   8  21 o 699.3732 8.813802 14360.21       361.5121 14323.41       507.5545 14398.10       515.0381 698.0661 12.39754 699.8636 12.54803 -1.797485      17.63951 
1 1 1 4   8  22 o 753.8480 9.380709 16691.14       414.7343 16932.21       596.8304 16466.03       576.7316 758.6360 13.41427 748.1688 13.14388 10.46716       18.78042 
1 1 1 4   8  23 o 543.1956 10.02443 8670.781       319.3498 8865.320       471.7668 8506.242       433.8675 548.3942 14.68165 537.3345 13.77909 11.05969       20.13490 
1 1 1 4   8  24 o 316.6268 5.675059 2942.125       105.3825 3006.472       149.0151 2877.746       149.0517 319.9488 7.941439 312.9077 8.129019 7.041077       11.36430 
1 1 1 4   8  25 o 191.0189 6.004625 1072.142       67.18510 881.4543       95.78856 1256.785       94.25811 172.8942 9.483068 206.6969 7.789543 -33.80272      12.27215 
1 1 1 4   8  26 o 90.15416 10.15080 242.1496       52.73890 173.9742       85.99318 283.2518       66.77023 75.15214 19.38398 97.33228 11.94733 -22.18015      22.77010 
1 1 1 4   8  27 o 455.4668 7.006709 6094.383       187.1636 6104.429       215.0813 6063.046       379.8733 455.7089 8.047567 452.7574 14.32417 2.951477       16.43001 
1 1 1 4   8  28 o 232.5918 9.690613 1595.304       131.8997 1626.937       164.8423 1539.006       219.9092 234.5398 12.02413 227.2064 16.61830 7.333374       20.51213 
1 1 1 4   8  29 o 408.4428 6.632759 4901.802       158.8825 4946.232       182.6011 4763.326       322.3662 410.1623 7.590970 401.0848 13.72471 9.077423       15.68408 
1 1 1 4   8  30 o 588.7307 8.281592 10197.31       285.9440 10289.39       336.7282 9959.219       541.4600 591.0172 9.714689 579.0256 15.95998 11.99152       18.68412 
1 1 1 4   8  31 o 99.41727 13.23209 297.2864       75.23690 311.6609       80.16314 190.9971       217.9829 101.7265 13.79152 87.08262 32.21477 14.64388       35.04279 
1 1 1 4   8  32 o 428.5744 7.150412 5399.229       179.7247 5538.147       206.6096 4967.210       364.3531 433.9000 8.119145 409.0446 15.21454 24.85535       17.24537 
1 1 1 4   8  33 o 201.1649 8.411572 1192.796       99.01947 1188.911       105.9465 1219.627       278.4146 200.7589 9.021367 199.7691 24.26034 0.9897766      25.88338 
1 1 1 4   8  34 o 127.6468 11.14531 484.4840       82.59991 465.7047       87.30383 644.8000       255.0827 124.9796 12.06051 142.1247 31.43727 -17.14518      33.67132 
1 1 1 4   8  35 o 27.64987 13.51632 -137.1076      72.67540 -101.2748      75.59581 -574.1816      264.0188 30.99173 14.80666 49.64576 24.55640 -18.65404      28.67497 
1 1 1 4   8  36 o 223.2881 9.747766 1474.219       127.3425 1483.944       139.7594 1426.671       309.0373 223.8404 10.67691 214.7926 24.99909 9.047775       27.18365 
1 1 1 4   8  37 o 62.90329 19.35542 119.6903       78.36615 100.1986       80.94471 411.0865       312.9723 59.14336 19.81725 113.9711 38.96264 -54.82774      43.71282 
1 1 1 4   8  38 o 187.9673 8.811677 1044.968       96.86811 1045.588       102.0972 1039.380       306.6148 187.9337 9.291965 179.7136 30.15851 8.220032       31.55750 
1 1 1 4   8  39 o 146.1971 11.28558 637.9947       96.01533 589.8309       101.0239 1087.914       308.7672 140.2752 12.40766 183.2716 29.74560 -42.99640      32.22965 
1 1 1 4   8  40 o 139.9626 11.14944 586.1486       90.76398 618.7084       95.81966 301.7976       283.1660 143.7405 11.46131 99.31585 36.72101 44.42467       38.46809 
1 1 1 4   8  41 o 26.11851 12.95502 -175.0986      75.40049 -196.6507      78.35986 94.17552       276.9787 25.91248 12.91125 79.97807 33.94738 -54.06560      36.31976 
1 1 1 4   8  42 o 31.76934 15.11758 -91.85358      77.18703 -90.07605      80.26888 -113.6776      281.2587 32.78835 15.54872 66.90733 30.85189 -34.11897      34.54855 
1 1 1 4   8  43 o 178.2584 9.216909 949.0455       96.03036 945.9952       101.3621 975.7729       300.0437 177.7760 9.759354 165.5984 32.05292 12.17763       33.50574 
1 1 1 4   8  44 o 191.9145 9.015119 1100.702       101.1846 1036.401       106.1601 1738.840       334.4336 185.9068 9.771086 227.6746 25.48303 -41.76776      27.29210 
1 1 1 4   8  45 o 61.29193 20.82765 117.4962       89.40952 123.9497       93.14989 41.94396       318.7183 62.71296 21.25943 75.93611 34.15852 -13.22315      40.23391 
1 1 1 4   8  46 o 128.7122 13.67974 513.9362       101.6840 531.8181       106.5994 333.3415       338.7661 130.7198 14.12900 93.95145 38.51698 36.76840       41.02665 
1 1 1 4   8  47 o 130.6530 14.45577 535.1629       108.9166 551.5764       114.6454 383.1319       348.9171 132.3174 15.04028 95.80740 39.16204 36.50996       41.95087 
1 1 1 4   8  48 o 97.79086 20.07622 322.7196       111.2816 346.6848       117.2103 103.6413       354.3844 101.2077 20.45151 78.14537 35.50008 23.06235       40.96975 
1 1 1 4   8  49 o 133.1825 16.68498 572.8834       127.4716 579.0895       132.6601 498.1668       460.2956 133.4166 17.36603 98.55428 42.81631 34.86234       46.20407 
1 1 1 4   8  50 o 58.95715 23.81599 88.65818       127.2639 73.69466       129.3376 544.0941       713.5454 57.42959 23.69837 97.01602 46.10808 -39.58643      51.84176 
1 1 1 4   9  0  o 173.3715 5.359889 882.7584       54.43298 728.3149       133.2873 913.6726       59.63244 156.5792 14.68598 176.3628 5.773120 -19.78358      15.77995 
1 1 1 4   9  1  o 291.8509 5.947134 2499.526       101.7933 2312.889       170.6074 2602.696       126.8453 280.3433 10.39465 297.7600 7.263692 -17.41675      12.68109 
1 1 1 4   9  2  o 169.4633 6.505425 844.1047       64.53489 833.7700       110.4496 849.4619       79.52122 168.0220 11.27375 169.8986 8.003225 -1.876633      13.82566 
1 1 1 4   9  3  o 207.7738 6.135874 1268.033       74.68643 1209.453       124.7795 1300.736       93.23130 202.5745 10.53911 210.3476 7.569766 -7.773056      12.97591 
1 1 1 4   9  4  o 128.3080 7.168917 484.8063       53.73130 488.1194       101.3859 483.5124       63.36107 128.0303 13.71603 128.0271 8.486490 0.3189087E-02  16.12916 
1 1 1 4   9  5  o 417.0204 7.291456 5105.791       178.3291 5178.285       287.2283 5060.318       227.4837 419.4097 11.68858 414.9972 9.346621 4.412476       14.96604 
1 1 1 4   9  6  o 409.4370 6.712111 4920.730       161.1747 5137.229       289.6404 4823.620       193.9828 417.7409 11.83422 405.2799 8.161266 12.46106       14.37550 
1 1 1 4   9  7  o 559.1387 10.18724 9188.104       334.0618 9190.871       470.4091 9185.288       474.4868 558.4259 14.37543 558.2305 14.50535 0.1953735      20.42200 
1 1 1 4   9  8  o 500.8083 7.647067 7362.984       224.6037 7276.747       380.8440 7408.974       278.1180 497.1579 13.07312 502.2213 9.442425 -5.063416      16.12656 
1 1 1 4   9  9  o 626.7385 9.112594 11534.54       334.9492 11295.61       564.3870 11664.45       416.1619 619.1937 15.55407 630.0258 11.26299 -10.83209      19.20374 
1 1 1 4   9  10 o 266.7623 4.664389 2087.393       72.97426 2053.520       100.7003 2124.853       105.8981 264.5505 6.490405 269.1006 6.710009 -4.550110      9.335394 
1 1 1 4   9  11 o 508.6879 6.644783 7591.978       198.2361 7407.919       271.0990 7803.489       290.6135 502.3609 9.201560 515.5751 9.611105 -13.21420      13.30571 
1 1 1 4   9  12 o 519.7776 6.769598 7926.202       206.3626 7628.789       277.3091 8295.300       308.9258 509.8248 9.274546 531.5956 9.908827 -21.77081      13.57211 
1 1 1 4   9  13 o 569.1605 7.304428 9504.207       243.8212 9138.415       326.2424 9967.030       366.9701 557.9750 9.969540 582.6779 10.73870 -24.70288      14.65303 
1 1 1 4   9  14 o 929.0710 11.24157 25342.48       612.5288 24974.43       846.5331 25746.92       887.4046 921.7708 15.65923 935.8447 16.16841 -14.07385      22.50842 
1 1 1 4   9  15 f 298.0036 5.305468 2604.866       92.72476 2638.926       132.8470 2572.510       129.4829 299.8069 7.561473 296.0124 7.464464 3.794586       10.62516 
1 1 1 4   9  16 o 547.2685 7.257963 8787.402       232.9516 8659.926       322.3737 8926.708       336.9993 543.1434 10.12033 551.4283 10.42052 -8.284912      14.52613 
1 1 1 4   9  17 o 1004.981 12.18339 29665.05       718.0863 28943.46       978.3160 30507.91       1057.336 991.9509 16.81661 1018.235 17.70575 -26.28418      24.41909 
1 1 1 4   9  18 o 987.6045 11.98775 28650.03       694.3386 28231.82       959.6945 29109.40       1005.815 979.5865 16.70474 994.5878 17.24345 -15.00128      24.00802 
1 1 1 4   9  19 o 872.6556 10.69095 22363.80       547.1540 22204.86       764.5865 22530.64       783.3395 868.9296 15.00346 875.2370 15.26068 -6.307434      21.40075 
1 1 1 4   9  20 o 913.1095 11.11381 24492.58       595.1635 24286.82       830.7510 24709.55       853.0692 908.4887 15.59196 916.3028 15.87430 -7.814087      22.25091 
1 1 1 4   9  21 o 538.3077 7.200542 8504.717       227.3245 8402.121       314.6341 8616.763       328.8047 534.8322 10.03085 541.5908 10.35181 -6.758606      14.41450 
1 1 1 4   9  22 o 696.0563 11.09778 14241.49       453.0344 14122.91       569.8168 14445.21       746.9156 692.6548 14.02710 699.3585 18.22601 -6.703613      22.99884 
1 1 1 4   9  23 o 328.0549 6.158908 3158.537       118.4952 3161.437       132.8941 3147.286       261.7393 328.1693 6.904894 326.6354 13.69366 1.533936       15.33603 
1 1 1 4   9  24 o 101.0665 10.03681 303.2567       58.70607 290.9673       61.43511 432.4360       199.1815 98.88191 10.76745 117.8458 29.01578 -18.96391      30.94921 
1 1 1 4   9  25 o 194.1329 6.540621 1107.847       74.36150 1076.223       79.57479 1325.750       208.8803 191.2963 7.105158 211.0243 17.02208 -19.72795      18.44544 
1 1 1 4   9  26 o 84.03477 12.21318 212.4401       58.43112 231.1809       60.86300 -8.114162      208.7933 87.74372 12.15325 67.67107 29.11595 20.07265       31.55059 
1 1 1 4   9  27 o 278.4744 7.508468 2280.640       122.5154 2384.586       143.7094 2004.121       234.3935 284.6242 8.619129 259.7760 15.45480 24.84824       17.69577 
1 1 1 4   9  28 o 184.7160 6.928102 1004.012       74.92021 1033.053       80.68451 822.2793       201.8389 187.3309 7.358270 164.5274 21.42632 22.80354       22.65462 
1 1 1 4   9  29 o 466.6687 7.033693 6400.845       192.5052 6343.391       218.8387 6597.405       404.7719 464.4068 8.034800 471.7535 14.64776 -7.346771      16.70673 
1 1 1 4   9  30 o 235.8624 6.583824 1636.000       90.98345 1727.622       99.22228 1152.010       228.0484 242.3387 6.988593 195.3114 20.20017 47.02731       21.37492 
1 1 1 4   9  31 o 287.8230 6.693892 2434.501       112.9938 2446.782       123.8998 2373.809       275.4327 288.3936 7.331400 282.1473 16.72018 6.246307       18.25688 
1 1 1 4   9  32 o 44.41660 18.01974 24.65089       73.21310 77.09396       76.17226 -611.2507      265.2453 54.27707 19.18197 48.99780 24.30247 5.279270       30.96059 
1 1 1 4   9  33 o 154.8124 10.01691 709.1856       90.45915 704.5259       95.47585 750.0636       282.7852 154.2145 10.62132 153.4107 32.44555 0.8038635      34.13980 
1 1 1 4   9  34 o 346.7175 6.962749 3534.409       141.5817 3536.439       155.8881 3524.845       338.3237 346.7202 7.666256 343.6700 16.83698 3.050262       18.50015 
1 1 1 4   9  35 o 277.2657 11.18740 2275.112       181.5444 2508.677       224.3800 1832.398       308.9174 290.6613 13.19717 245.6152 21.66746 45.04604       25.37014 
1 1 1 4   9  36 o 207.6856 10.02386 1276.703       121.7328 1162.534       131.7147 1945.450       318.7801 197.8852 11.39756 252.5564 21.73315 -54.67116      24.54046 
1 1 1 4   9  37 o 65.97445 19.55086 133.6181       81.03393 118.7892       84.16374 321.9483       299.9373 63.12788 20.15167 104.6128 37.93443 -41.48497      42.95476 
1 1 1 4   9  38 o 54.10880 19.82169 73.13075       82.19221 93.04906       85.86821 -144.6770      283.9507 58.25698 20.38423 68.52399 31.37650 -10.26701      37.41659 
1 1 1 4   9  39 o 173.0029 10.47043 890.3749       105.7379 890.3749       105.7379 0.000000       0.000000 173.0029 10.47043 ?        ?        0.000000       10.47043 
1 1 1 4   9  40 o 116.2088 12.94759 408.7392       86.74568 426.8012       90.61660 210.7761       299.9976 118.6945 13.24281 91.90279 36.75906 26.79166       39.07174 
1 1 1 4   9  41 o 145.5982 10.64011 635.3730       90.22860 683.5626       94.41695 128.0796       306.3398 151.0183 10.73020 84.57825 35.79188 66.44001       37.36571 
1 1 1 4   9  42 o 222.0065 8.128501 1463.680       105.6557 1431.036       110.9848 1779.320       345.1102 219.3329 8.644914 232.4345 25.74798 -13.10155      27.16050 
1 1 1 4   9  43 o 127.9020 12.02826 496.9153       89.16674 474.5040       93.06669 747.6332       311.2817 124.6311 12.91980 139.4235 37.32822 -14.79246      39.50085 
1 1 1 4   9  44 f 128.2559 12.61924 503.2122       93.69277 485.2931       97.78777 703.8217       327.1912 125.5647 13.49036 130.9621 39.40000 -5.397400      41.64553 
1 1 1 4   9  45 o 55.76718 21.09523 82.88799       94.54443 72.35139       98.48663 206.6552       337.5435 54.67104 21.30968 86.48245 37.11200 -31.81142      42.79490 
1 1 1 4   9  46 o 71.88837 21.51067 174.1847       97.72263 191.4616       101.7570 -30.82938      350.5286 75.08453 21.81652 73.74239 34.15808 1.342140       40.53067 
1 1 1 4   9  47 o 151.2939 12.69062 706.2656       111.5675 727.2833       117.4929 513.5162       355.8075 153.2337 13.20256 105.1380 40.63540 48.09578       42.72638 
1 1 1 4   9  48 o 74.53644 22.73509 193.7592       108.4235 165.1550       114.0850 460.6919       348.5089 69.55207 23.52780 99.66293 39.70073 -30.11086      46.14872 
1 1 1 4   9  49 o 164.2172 13.38167 841.5552       127.7620 836.0060       134.4252 893.4042       410.8990 163.0626 14.19787 127.6943 44.59707 35.36831       46.80254 
1 1 1 4   9  50 o 51.10860 23.68217 -65.19684      168.7119 -65.19684      168.7119 0.000000       0.000000 51.10860 23.68217 ?        ?        0.000000       23.68217 
1 1 1 4   10 0  o 308.1161 12.59209 2798.438       227.0631 0.000000       0.000000 2798.438       227.0631 ?        ?        308.1161 12.59209 0.000000       12.59209 
1 1 1 4   10 1  o 205.1981 5.408268 1236.391       65.02843 1126.510       131.2252 1272.158       74.86749 195.3724 11.50349 208.1068 6.140898 -12.73441      13.03997 
1 1 1 4   10 2  o 427.5593 6.354966 5365.570       159.3530 5044.187       280.9541 5517.993       193.4857 413.9511 11.58412 433.5026 7.610385 -19.55145      13.86037 
1 1 1 4   10 3  o 457.1234 6.586013 6133.569       176.5658 5836.344       314.1556 6270.808       213.4718 445.2378 12.04207 462.1117 7.876678 -16.87387      14.38936 
1 1 1 4   10 4  o 186.3405 4.758047 1019.379       51.95545 936.1113       117.2184 1039.737       57.95981 178.0655 11.28248 188.1696 5.257180 -10.10403      12.44718 
1 1 1 4   10 5  o 673.9636 10.45217 13351.18       413.1364 13509.66       672.1951 13254.97       523.7312 676.4420 16.95730 671.0394 13.30791 5.402588       21.55576 
1 1 1 4   10 6  o 513.2290 9.557344 7738.236       287.6729 7955.995       418.2456 7542.727       396.3026 519.7126 13.73404 506.0857 13.36388 13.62686       19.16291 
1 1 1 4   10 7  o 95.00355 12.89536 270.2988       69.99630 236.7582       92.23089 315.8572       107.4918 87.95245 18.46930 101.8870 18.67702 -13.93453      26.26683 
1 1 1 4   10 8  o 143.1038 9.660411 604.1423       80.60183 631.6699       108.1031 569.6818       120.9525 146.0271 12.75052 138.3077 15.15948 7.719421       19.80873 
1 1 1 4   10 9  o 228.9651 7.718263 1540.318       103.4947 1563.853       135.8438 1507.759       159.7792 230.5524 10.07091 226.2039 12.08787 4.348557       15.73339 
1 1 1 4   10 10 o 391.1013 5.945527 4487.280       136.3735 4457.629       155.9596 4583.588       281.0798 389.7808 6.822461 394.8241 12.15326 -5.043274      13.93728 
1 1 1 4   10 11 f 154.2268 5.350450 698.5439       48.32172 685.5803       50.80044 821.7457       156.6070 152.7725 5.679741 166.3833 16.25625 -13.61084      17.21991 
1 1 1 4   10 12 o 509.2172 9.760664 7610.851       291.4962 7534.563       401.9804 7695.454       423.3230 506.2589 13.55103 511.5844 14.12277 -5.325500      19.57251 
1 1 1 4   10 13 o 1226.897 16.94345 44262.95       1219.159 43051.13       1432.240 47451.10       2323.094 1209.282 20.19471 1266.100 31.28586 -56.81787      37.23750 
1 1 1 4   10 14 o 1192.281 15.07213 41778.52       1053.910 40832.17       1199.267 44987.95       2208.531 1178.269 17.35485 1232.940 30.54296 -54.67090      35.12923 
1 1 1 4   10 15 o 852.4123 11.13567 21334.18       556.6940 20729.33       628.1904 23546.87       1201.511 840.0749 12.75037 893.3826 22.95089 -53.30774      26.25481 
1 1 1 4   10 16 o 784.3799 10.35339 18062.50       476.2767 17831.30       547.9161 18777.26       963.3995 779.1895 11.99004 798.1176 20.59929 -18.92810      23.83467 
1 1 1 4   10 17 o 745.7332 10.06459 16326.57       440.1799 16092.08       506.5569 17049.57       889.4778 740.2097 11.66871 760.5067 19.95984 -20.29694      23.12043 
1 1 1 4   10 18 o 238.3720 6.739324 1668.489       94.12087 1732.876       101.1410 1252.378       257.1183 242.9133 7.107101 204.9312 21.72358 37.98203       22.85661 
1 1 1 4   10 19 o 658.2512 9.013035 12719.89       347.9471 12682.29       405.1172 12825.62       679.3499 657.1471 10.51157 659.7318 17.57367 -2.584717      20.47748 
1 1 1 4   10 20 o 890.7043 11.54381 23312.67       603.0220 23584.18       719.0620 22669.12       1107.047 895.4973 13.69151 876.0639 21.54665 19.43341       25.52872 
1 1 1 4   10 21 o 499.3196 7.370208 7318.290       215.8285 7363.124       250.3353 7188.457       426.0000 500.7628 8.523922 493.9206 14.72268 6.842163       17.01219 
1 1 1 4   10 22 o 71.59007 13.31859 155.6729       53.86180 166.7356       56.21956 32.01863       187.9583 74.13565 13.42445 68.11853 28.37878 6.017120       31.39381 
1 1 1 4   10 23 f 166.2891 6.954597 813.2358       67.67474 796.6766       72.01746 938.2494       197.8783 164.5462 7.482339 177.0394 19.37399 -12.49323      20.76865 
1 1 1 4   10 24 o 95.02173 10.30613 268.6562       56.51543 262.0402       59.50991 329.4779       180.4343 93.72876 11.03731 103.2558 28.74267 -9.527039      30.78901 
1 1 1 4   10 25 o 140.5953 10.12851 584.5734       82.95569 510.6568       90.48321 974.1884       207.7376 131.1297 11.89494 180.0295 20.01311 -48.89975      23.28120 
1 1 1 4   10 26 o 213.2711 6.478507 1337.061       80.93823 1332.806       86.45552 1367.243       230.2577 212.8932 6.933620 213.8139 18.54555 -0.9207153     19.79931 
1 1 1 4   10 27 o 431.4012 6.724303 5467.381       170.1293 5440.462       192.2951 5564.371       365.0034 430.2258 7.621163 433.5638 14.37455 -3.338013      16.26991 
1 1 1 4   10 28 o 501.7275 7.389292 7399.875       217.4309 7403.396       250.7347 7389.202       436.6054 501.6434 8.522534 499.2636 14.92783 2.379791       17.18935 
1 1 1 4   10 29 o 147.4198 8.174489 641.2569       70.39846 657.3364       74.45297 505.5705       216.2789 149.2201 8.543250 126.2827 29.70332 22.93736       30.90751 
1 1 1 4   10 30 o 304.2790 6.369874 2720.329       113.6719 2720.896       124.7089 2717.544       276.3701 304.2496 6.989028 302.2379 15.64488 2.011719       17.13502 
1 1 1 4   10 31 o 318.7656 6.764237 2986.188       126.4564 2970.163       138.7415 3064.843       307.3779 317.8356 7.443090 320.8249 16.39064 -2.989227      18.00146 
1 1 1 4   10 32 o 156.5714 9.636532 724.7510       88.05913 666.5937       92.16489 1334.214       298.3576 150.0091 10.54319 208.9097 24.83726 -58.90059      26.98237 
1 1 1 4   10 33 o 90.49689 16.47966 250.7402       84.24329 268.1960       88.25485 71.71568       282.6342 93.62717 16.68447 83.42410 34.78093 10.20307       38.57570 
1 1 1 4   10 34 o 207.6476 8.296979 1271.298       100.8375 1289.652       107.0500 1126.791       300.3730 209.0800 8.749528 190.2016 27.74418 18.87843       29.09113 
1 1 1 4   10 35 o 210.7404 8.545612 1310.526       105.3998 1332.592       111.9036 1137.073       313.7388 212.4375 9.002184 190.0213 29.07557 22.41612       30.43728 
1 1 1 4   10 36 o 244.6056 7.724323 1763.867       110.6707 1762.393       117.9620 1774.702       319.7443 244.4136 8.241151 240.4698 22.95015 3.943863       24.38495 
1 1 1 4   10 37 o 422.2607 7.413476 5251.549       183.5917 5208.838       203.6010 5437.364       424.6719 420.3182 8.259453 425.3690 17.05763 -5.050751      18.95208 
1 1 1 4   10 38 o 193.6376 9.062179 1109.943       102.6282 1142.963       108.1780 812.6787       324.5808 196.4297 9.417780 154.9396 36.35051 41.49007       37.55069 
1 1 1 4   10 39 o 261.5887 7.942428 2021.649       121.7081 2083.497       131.8077 1663.838       317.0329 265.4263 8.478204 230.4715 23.79687 34.95483       25.26204 
1 1 1 4   10 40 o 35.05457 16.38222 -75.41206      83.47968 -79.41315      86.54526 -21.91672      316.4548 35.56601 16.64047 77.24846 34.44454 -41.68245      38.25352 
1 1 1 4   10 41 o 188.9715 9.146061 1063.331       101.0623 1072.263       106.6306 984.4510       316.8837 189.6126 9.620236 167.2444 33.47615 22.36827       34.83104 
1 1 1 4   10 42 o 119.2114 13.30318 434.6698       91.42540 494.5903       95.31817 -254.3064      323.2141 127.3832 12.93820 65.26234 31.02114 62.12091       33.61113 
1 1 1 4   10 43 o 96.02856 16.90946 292.5639       91.75452 323.7741       95.14457 -122.1401      346.8203 101.2635 16.59499 72.34836 33.67090 28.91511       37.53829 
1 1 1 4   10 44 o 62.40902 21.37490 120.9697       94.20262 141.7349       98.14569 -121.9939      335.7167 66.38275 21.80775 70.16251 32.80999 -3.779755      39.39637 
1 1 1 4   10 45 o 61.05724 21.63061 113.7317       96.90932 82.28537       100.5213 527.8692       364.7917 56.36934 21.64774 109.6228 41.44387 -53.25346      46.75702 
1 1 1 4   10 46 o 133.7348 13.53959 554.9648       104.7326 595.7586       109.0913 74.84479       374.2551 138.5702 13.59855 79.67923 36.30764 58.89101       38.77068 
1 1 1 4   10 47 o 49.72714 20.85081 35.55819       102.4478 12.22797       107.3372 274.2813       343.3509 47.90934 20.74557 87.73862 37.53576 -39.82927      42.88720 
1 1 1 4   10 48 o 86.92173 21.80852 262.7304       110.9767 339.9387       116.7591 -459.3519      357.0689 99.98123 20.59805 58.42633 28.83618 41.55490       35.43734 
1 1 1 4   10 49 o 148.0350 15.22372 697.3337       130.2889 665.7065       137.1032 991.9843       418.4767 143.5867 16.58557 134.6049 45.05871 8.981781       48.01425 
1 1 1 4   10 50 o 101.2935 23.31595 366.8780       135.6394 425.9315       141.6010 -290.4670      472.4335 109.8787 22.72425 69.64744 34.13329 40.23122       41.00577 
1 1 1 4   11 0  o 612.1157 10.94572 11016.03       392.9420 10447.43       523.9822 11746.71       593.9857 595.2352 15.02189 630.9376 16.06543 -35.70245      21.99444 
1 1 1 4   11 1  o 454.8794 7.727577 6075.442       206.1532 5648.769       308.1405 6421.157       277.3705 438.0507 12.00559 467.4255 10.11806 -29.37485      15.70062 
1 1 1 4   11 2  o 313.9570 5.493796 2892.296       101.1564 2707.144       187.3677 2968.463       120.1752 303.2954 10.54970 318.0254 6.443213 -14.72998      12.36168 
1 1 1 4   11 3  o 214.2338 5.500268 1347.578       69.04990 1222.513       126.1632 1401.060       82.50356 203.6714 10.59861 218.3951 6.448448 -14.72365      12.40617 
1 1 1 4   11 4  o 276.3823 6.307108 2241.716       102.2330 2267.374       163.9804 2225.402       130.7551 277.6084 10.08862 275.1856 8.110669 2.422821       12.94462 
1 1 1 4   11 5  o 240.1475 6.145967 1693.416       86.48916 1743.402       144.8732 1665.735       107.8093 243.3866 10.17183 238.0809 7.731387 5.305679       12.77656 
1 1 1 4   11 6  o 305.8500 6.447955 2744.976       115.6594 2784.826       186.2189 2719.949       147.5744 307.7225 10.33310 304.2721 8.277555 3.450409       13.23974 
1 1 1 4   11 7  o 208.7147 7.736184 1280.288       94.53185 1223.161       125.9415 1354.008       143.0664 203.7934 10.57343 214.3719 11.42061 -10.57854      15.56367 
1 1 1 4   11 8  o 774.6645 13.49280 17639.33       613.0082 17370.86       846.7540 17934.99       888.6086 767.8871 18.80223 780.1360 19.42181 -12.24884      27.03203 
1 1 1 4   11 9  o 356.8241 8.045227 3736.415       168.3616 3763.145       231.1789 3706.227       245.6808 357.8109 11.02968 355.0301 11.81574 2.780884       16.16371 
1 1 1 4   11 10 o 521.4852 9.871909 7982.643       301.9212 7982.757       420.5917 7982.521       433.6708 521.0569 13.77546 521.0051 14.20605 0.5181885E-01  19.78826 
1 1 1 4   11 11 o 435.0519 7.102918 5552.867       181.2293 5478.342       212.6920 5750.359       346.2398 432.0803 8.393365 442.2425 13.36486 -10.16220      15.78189 
1 1 1 4   11 12 o 811.2191 10.58389 19318.25       503.5399 18830.69       571.7159 21004.62       1063.268 800.7767 12.17358 844.1883 21.49345 -43.41156      24.70151 
1 1 1 4   11 13 f 741.6313 9.703529 16143.61       422.0543 16080.00       491.1995 16323.05       824.9911 740.0448 11.31747 744.5363 18.90882 -4.491516      22.03699 
1 1 1 4   11 14 o 184.7664 6.288366 1002.640       68.04214 972.4108       71.57765 1286.161       219.2078 181.9359 6.719787 208.2991 18.12421 -26.36325      19.32983 
1 1 1 4   11 15 o 359.3691 7.338790 3789.252       154.6734 3645.541       172.9307 4364.080       345.8564 352.4580 8.365929 384.9859 15.34870 -32.52792      17.48060 
1 1 1 4   11 16 o 432.4386 7.075321 5486.766       179.4408 5300.592       194.9580 6518.604       458.9733 425.0119 7.821491 470.4507 16.66131 -45.43878      18.40584 
1 1 1 4   11 17 o 292.8593 6.442200 2516.277       110.6480 2469.445       119.1892 2808.353       297.6545 290.1078 7.005303 308.5179 16.51073 -18.41016      17.93540 
1 1 1 4   11 18 o 1071.449 13.68179 33747.26       859.7359 33873.13       1016.861 33431.74       1609.974 1072.922 16.16005 1063.068 25.82302 9.853882       30.46270 
1 1 1 4   11 19 o 413.5205 6.753910 5017.742       163.7958 5087.038       187.6367 4795.847       335.7672 416.3246 7.684849 403.5589 14.20885 12.76572       16.15390 
1 1 1 4   11 20 f 547.8957 7.915866 8812.234       254.3588 8706.150       291.2897 9152.832       521.9401 544.4913 9.121865 557.2308 15.98763 -12.73944      18.40687 
1 1 1 4   11 21 o 417.3628 6.657884 5112.477       162.9673 4969.440       181.5404 5706.171       369.8556 411.4327 7.523571 439.9926 14.35218 -28.55988      16.20460 
1 1 1 4   11 22 o 358.1719 6.216943 3765.193       130.5927 3852.448       148.7733 3472.208       272.6173 362.2553 7.002605 343.1192 13.57425 19.13611       15.27405 
1 1 1 4   11 23 o 730.9761 9.731187 15707.88       417.1762 15501.37       480.9908 16334.96       838.1422 725.8380 11.29917 742.4684 19.26443 -16.63037      22.33360 
1 1 1 4   11 24 o 214.7512 10.25500 1359.779       128.7849 1486.968       169.5211 1186.184       198.0466 224.2425 12.94509 199.5229 17.08924 24.71962       21.43869 
1 1 1 4   11 25 f 251.1408 6.137534 1851.929       90.39861 1799.652       97.62038 2166.553       239.4856 247.4467 6.733055 270.3201 15.16686 -22.87343      16.59421 
1 1 1 4   11 26 o 25.53801 12.19804 -69.46764      51.23748 -70.57970      52.83027 -51.85492      210.2481 26.02468 12.41828 64.51099 28.45513 -38.48631      31.04687 
1 1 1 4   11 27 o 177.1767 6.968151 923.8531       72.26481 970.1464       76.44153 534.6234       221.6531 181.5470 7.193666 130.1491 29.69690 51.39792       30.55576 
1 1 1 4   11 28 o 232.2313 6.365713 1585.628       86.61806 1593.165       92.79293 1534.582       241.4822 232.7395 6.805513 226.2948 18.35271 6.444763       19.57389 
1 1 1 4   11 29 o 480.0855 7.267822 6775.891       204.6319 6691.351       231.2460 7081.054       439.3491 476.9024 8.267880 488.3915 15.35788 -11.48914      17.44197 
1 1 1 4   11 30 o 322.4844 6.469889 3055.752       122.3647 3042.302       133.8271 3124.333       302.1889 321.7082 7.093027 324.0443 15.94998 -2.336182      17.45602 
1 1 1 4   11 31 o 300.5531 6.896371 2654.916       121.5605 2706.276       134.5966 2427.637       283.1387 303.3763 7.564877 285.2760 17.00035 18.10034       18.60750 
1 1 1 4   11 32 o 234.0790 7.892980 1613.445       108.2013 1561.870       116.4047 1941.149       293.4234 230.2080 8.637150 254.1253 19.84502 -23.91734      21.64313 
1 1 1 4   11 33 o 123.1570 11.52526 451.7080       82.27850 447.4070       86.77016 490.0551       259.0881 122.4426 12.24755 123.5080 34.46525 -1.065437      36.57671 
1 1 1 4   11 34 o 288.3429 7.254800 2447.130       122.5858 2453.612       133.7363 2413.052       306.6551 288.6239 7.908167 283.4311 18.55007 5.192841       20.16542 
1 1 1 4   11 35 o 203.8276 8.384499 1226.137       100.0144 1133.684       104.4802 2238.802       345.7844 195.8620 9.120686 271.1154 21.93421 -75.25336      23.75492 
1 1 1 4   11 36 o 212.0881 8.566650 1328.471       106.3367 1283.526       112.3245 1716.633       330.0956 208.3466 9.215382 235.7050 24.22363 -27.35843      25.91733 
1 1 1 4   11 37 o 336.8477 7.279803 3341.811       143.8149 3403.262       156.9635 3020.441       358.9538 339.8046 7.876241 315.4891 19.49532 24.31549       21.02624 
1 1 1 4   11 38 o 240.0651 8.904062 1704.863       125.1453 1704.863       125.1453 0.000000       0.000000 240.0651 8.904062 ?        ?        0.000000       8.904062 
1 1 1 4   11 39 o 77.29347 19.74136 189.5752       89.79687 201.9241       93.65054 48.72211       316.2849 79.70606 20.05398 82.37797 35.64130 -2.671906      40.89577 
1 1 1 4   11 40 f 65.15549 20.37435 131.9287       86.43944 148.5920       90.78629 -29.68624      282.7361 68.65105 20.77617 72.71391 32.48106 -4.062866      38.55734 
1 1 1 4   11 41 o 92.91057 17.17050 272.6399       90.11622 253.6074       93.78557 501.6877       325.3505 89.04979 18.56039 115.3970 39.71672 -26.34723      43.83955 
1 1 1 4   11 42 o 45.56293 19.31087 13.91480       89.40189 37.08204       93.06992 -262.7413      321.6195 49.36740 20.20807 64.56251 30.76080 -15.19510      36.80479 
1 1 1 4   11 43 o 35.60228 16.80088 -90.84995      91.58591 -128.6590      94.97003 411.4903       346.1688 33.84857 16.28281 103.9284 40.10435 -70.07980      43.28382 
1 1 1 4   11 44 o 226.0884 9.082727 1530.000       120.1877 1469.857       126.0070 2136.406       400.1122 221.2594 9.734344 247.4550 28.06491 -26.19565      29.70516 
1 1 1 4   11 45 o 46.75705 20.02153 14.36495       97.85087 27.59057       101.6446 -152.9529      361.5326 49.05125 20.68003 70.08566 33.16563 -21.03440      39.08481 
1 1 1 4   11 46 o 105.8243 17.22013 361.9380       103.2029 357.3861       108.1833 407.9883       344.0958 104.5350 18.31314 98.05369 39.31747 6.481316       43.37321 
1 1 1 4   11 47 o 99.46761 19.07859 329.2876       107.2481 357.6608       111.8907 8.509117       376.2203 103.7551 19.09126 75.30959 35.05578 28.44550       39.91722 
1 1 1 4   11 48 o 43.63636 19.93567 -43.58389      113.7806 -48.89600      119.2697 10.17567       379.4233 44.27790 20.29712 74.78161 34.94070 -30.50371      40.40824 
1 1 1 4   11 49 o 151.1248 15.67875 730.3443       136.9458 823.1676       143.4673 -221.5812      459.4371 160.7326 15.40789 71.05127 34.56638 89.68129       37.84491 
1 1 1 4   11 50 f 95.66050 23.71846 331.4760       132.4043 303.9084       137.4670 685.1981       492.4137 90.50870 25.04798 104.3978 44.81261 -13.88912      51.33781 
1 1 1 4   12 0  o 239.9676 5.098281 1689.412       71.75082 1602.467       87.82864 1863.873       124.4117 233.5902 6.417157 251.8072 8.436378 -18.21703      10.59964 
1 1 1 4   12 1  o 513.9774 9.258314 7758.766       279.0786 7525.594       378.6628 8036.023       412.9109 505.6755 12.77845 522.4470 13.48736 -16.77145      18.57950 
1 1 1 4   12 2  o 536.0492 8.661607 8437.390       272.3037 7829.485       402.1171 8952.254       370.0675 515.7411 13.30556 551.8898 11.43347 -36.14868      17.54315 
1 1 1 4   12 3  o 382.1226 6.000407 4284.396       134.4726 4316.219       258.4338 4272.581       157.4693 383.0553 11.51677 381.5518 7.037067 1.503510       13.49653 
1 1 1 4   12 4  o 420.8317 6.310760 5196.495       155.7545 4891.407       279.0236 5334.592       187.7243 407.8145 11.67818 426.3312 7.507977 -18.51666      13.88343 
1 1 1 4   12 5  o 103.4577 5.447391 314.8724       32.93584 343.6140       101.2202 311.4690       34.83135 106.7691 16.71260 102.8735 5.796645 3.895607       17.68933 
1 1 1 4   12 6  o 427.0026 7.608908 5350.756       190.5476 5546.219       313.0711 5235.743       240.1518 434.2896 12.30413 422.2874 9.696772 12.00226       15.66586 
1 1 1 4   12 7  o 211.1696 8.193535 1310.645       101.2811 1356.768       134.7098 1250.672       153.6102 214.6855 10.73311 205.9236 12.78232 8.761917       16.69094 
1 1 1 4   12 8  o 278.9374 7.711396 2284.800       126.0298 2312.276       167.6547 2249.100       191.1050 280.4627 10.20976 276.4829 11.81287 3.979767       15.61355 
1 1 1 4   12 9  o 1119.649 19.00510 36896.35       1247.966 37417.92       1796.760 36410.21       1734.659 1125.362 27.22371 1110.281 26.63977 15.08020       38.08947 
1 1 1 4   12 10 o 308.1009 7.978135 2787.195       144.0387 2675.478       185.0558 2958.903       229.4243 301.7151 10.47404 317.1783 12.35712 -15.46317      16.19888 
1 1 1 4   12 11 o 393.6039 8.805470 4546.387       203.2649 4534.854       271.0797 4561.202       307.2206 392.8116 11.78021 393.8297 13.32039 -1.018005      17.78218 
1 1 1 4   12 12 f 677.9207 9.074778 13487.56       360.7991 13116.87       406.6512 14858.86       782.1362 668.4561 10.37286 710.3497 18.79063 -41.89355      21.46355 
1 1 1 4   12 13 o 507.7760 7.352858 7564.960       218.9671 7422.889       246.4617 8097.269       477.0652 502.9445 8.355624 524.6047 15.52290 -21.66022      17.62887 
1 1 1 4   12 14 o 400.3472 6.675681 4702.209       156.7411 4730.106       175.8357 4594.285       345.8506 401.5089 7.467262 395.0657 14.95386 6.443146       16.71461 
1 1 1 4   12 15 o 745.5993 9.980638 16319.99       436.4297 16074.64       498.1387 17130.32       905.2838 739.8392 11.48054 762.2831 20.26765 -22.44391      23.29336 
1 1 1 4   12 16 o 395.6742 8.649782 4595.028       200.7213 4597.178       235.7377 4589.360       382.7498 395.5684 10.16991 394.6102 16.57541 0.9581604      19.44663 
1 1 1 4   12 17 o 457.7318 7.129015 6147.946       191.3776 6160.441       216.5009 6103.288       409.3049 458.1547 8.057441 455.2626 15.35169 2.892059       17.33772 
1 1 1 4   12 18 o 198.7435 6.484410 1160.191       75.48006 1142.637       79.92823 1304.862       229.4587 197.2096 6.921424 209.5775 18.87037 -12.36794      20.09967 
1 1 1 4   12 19 o 441.8351 6.790082 5728.913       175.9486 5753.272       201.1247 5649.475       363.1985 442.7227 7.746101 437.9763 14.15840 4.746399       16.13884 
1 1 1 4   12 20 o 174.6261 7.373880 896.7259       75.34895 896.7259       75.34895 0.000000       0.000000 174.6261 7.373880 ?        ?        0.000000       7.373880 
1 1 1 4   12 21 o 282.9684 6.023443 2349.849       99.96161 2347.339       110.1681 2361.542       237.7972 282.7930 6.642579 282.7853 14.38562 0.7690430E-02  15.84519 
1 1 1 4   12 22 o 663.3759 9.790745 12935.51       380.9131 13152.45       471.0556 12525.64       647.4728 668.5098 12.01473 651.0007 16.97306 17.50909       20.79515 
1 1 1 4   12 23 o 393.5317 6.380476 4546.650       147.2595 4555.397       167.2413 4516.467       310.6693 393.8433 7.240517 391.1828 13.56205 2.660492       15.37382 
1 1 1 4   12 24 o 572.1609 8.079533 9620.454       271.1159 9459.575       310.2955 10139.57       557.3891 567.1528 9.328781 585.2531 16.25493 -18.10028      18.74163 
1 1 1 4   12 25 o 340.6284 6.239798 3407.262       124.6527 3451.135       140.0867 3240.419       273.1815 342.7535 6.968901 330.9156 14.10852 11.83795       15.73582 
1 1 1 4   12 26 o 335.5724 6.277650 3307.412       123.5475 3296.787       136.1759 3356.857       293.7676 334.9743 6.931678 336.5009 14.92275 -1.526550      16.45407 
1 1 1 4   12 27 o 98.60867 10.76441 289.9740       61.24258 310.7856       63.67535 33.11913       223.6977 102.1212 10.79496 72.93122 30.70951 29.18999       32.55157 
1 1 1 4   12 28 o 357.6604 6.335001 3758.295       132.8826 3729.875       146.6629 3888.565       314.0026 356.2282 7.020069 361.9723 14.82270 -5.744080      16.40103 
1 1 1 4   12 29 o 152.1490 8.335451 683.1465       74.09460 724.7028       77.90630 289.3752       239.8150 156.7014 8.509060 99.65765 34.10523 57.04378       35.15068 
1 1 1 4   12 30 o 223.7605 7.474854 1473.799       97.95502 1512.067       105.0983 1220.646       270.3132 226.5978 7.920598 200.1226 23.47731 26.47522       24.77741 
1 1 1 4   12 31 o 327.3857 6.969721 3150.280       133.8214 3124.174       146.9886 3276.721       323.4862 325.9442 7.689357 331.6732 16.68367 -5.729034      18.37039 
1 1 1 4   12 32 o 268.9496 7.570380 2128.863       119.2908 2188.359       129.0555 1779.737       312.6256 272.6161 8.080797 242.4355 22.23499 30.18057       23.65785 
1 1 1 4   12 33 o 274.9046 7.190102 2223.948       115.8230 2234.532       124.3069 2154.255       318.9829 275.4868 7.701413 267.2068 20.51176 8.279999       21.90991 
1 1 1 4   12 34 o 440.4912 7.452574 5709.366       192.5281 5703.754       214.5911 5732.522       435.9258 440.0900 8.314183 437.9222 17.00558 2.167816       18.92922 
1 1 1 4   12 35 o 121.0688 12.48721 439.0347       87.39364 429.0483       91.66070 538.8629       289.8051 119.4998 13.30404 127.6229 36.73878 -8.123047      39.07347 
1 1 1 4   12 36 o 112.7525 13.60674 383.4213       88.15967 364.9119       92.64113 560.9681       286.9218 109.6849 14.77702 129.5850 36.30882 -19.90003      39.20065 
1 1 1 4   12 37 o 276.3198 11.26338 2266.965       182.1461 2297.526       210.9922 2177.558       360.8864 277.6142 12.99514 265.4397 23.42221 12.17450       26.78570 
1 1 1 4   12 38 o 118.7941 14.26838 427.8495       97.42048 458.5489       101.7880 92.97110       336.1825 123.0060 14.38085 87.83421 37.34545 35.17179       40.01864 
1 1 1 4   12 39 o 40.45948 17.99072 -26.11355      85.71951 -2.144129      89.12492 -321.9110      313.0888 44.05253 18.98895 63.37708 30.23886 -19.32455      35.70670 
1 1 1 4   12 40 o 80.73696 19.15485 208.9857       89.32355 198.8359       93.17184 324.2959       314.0442 78.55009 20.13358 100.3342 38.33016 -21.78407      43.29622 
1 1 1 4   12 41 o 267.8882 7.947092 2129.013       124.7188 2128.693       134.6546 2130.945       330.8177 267.6077 8.590828 258.3047 22.04825 9.303040       23.66279 
1 1 1 4   12 42 o 57.98209 20.96941 94.68590       91.57175 87.36667       94.94244 192.3101       346.7420 57.15876 21.23900 89.22700 37.93216 -32.06824      43.47348 
1 1 1 4   12 43 o 352.4579 7.724675 3689.106       159.6754 3692.386       173.2243 3670.566       411.8482 352.2201 8.385795 337.9814 20.87946 14.23871       22.50052 
1 1 1 4   12 44 o 56.09732 21.64348 79.72919       100.8108 130.1104       105.2418 -481.0597      351.1186 64.50689 22.56721 59.21697 29.10322 5.289917       36.82766 
1 1 1 4   12 45 o 131.0118 14.43026 535.6760       109.0413 509.9523       113.7087 829.8586       384.5349 127.1793 15.56929 133.2689 43.12515 -6.089539      45.84955 
1 1 1 4   12 46 o 38.52953 18.06603 -82.19336      102.9410 -109.9589      106.8501 276.5722       384.0849 37.47052 17.81807 89.44114 38.98101 -51.97062      42.86028 
1 1 1 4   12 47 o 47.94251 20.77379 12.96857       107.7747 10.03410       112.0219 49.48156       395.1494 48.39007 21.07138 77.79423 36.11503 -29.40416      41.81266 
1 1 1 4   12 48 o 58.93913 23.10246 95.71954       116.2895 102.7379       121.6033 20.63910       397.7331 60.38480 23.63761 75.79237 35.52948 -15.40756      42.67412 
1 1 1 4   12 49 o 46.86598 21.36110 -37.41254      129.6520 1.526094       135.3013 -474.7043      453.4165 51.02074 22.64957 64.66650 32.02105 -13.64576      39.22181 
1 1 1 4   13 0  o 172.8564 5.036376 877.2393       51.00243 838.4160       62.85997 952.0387       87.25245 168.9222 6.356416 179.9050 8.291885 -10.98280      10.44794 
1 1 1 4   13 1  o 267.5744 6.682745 2100.799       104.8697 2100.799       104.8697 0.000000       0.000000 267.5744 6.682745 ?        ?        0.000000       6.682745 
1 1 1 4   13 2  o 853.2831 11.98104 21392.62       599.5679 20602.24       696.2620 23660.19       1179.335 837.0409 14.18324 894.8680 22.48909 -57.82715      26.58803 
1 1 1 4   13 3  o 403.6086 6.835462 4779.784       161.8001 4727.332       275.2086 4807.492       200.0198 400.9791 11.71536 404.7120 8.427063 -3.732941      14.43139 
1 1 1 4   13 4  o 95.21951 8.615918 268.2888       47.59458 198.7898       111.9893 283.6086       52.57925 80.95811 22.68396 97.85522 9.272402 -16.89711      24.50590 
1 1 1 4   13 5  o 629.7576 8.544859 11639.60       315.5941 11136.13       557.7111 11876.75       382.7740 615.1971 15.46996 636.0211 10.26173 -20.82391      18.56401 
1 1 1 4   13 6  o 380.8239 7.282589 4255.205       162.6524 4437.170       265.5591 4145.958       205.7646 388.5306 11.66750 375.8335 9.335221 12.69711       14.94245 
1 1 1 4   13 7  o 405.9568 8.548128 4836.240       203.5173 4851.848       280.0839 4818.781       296.2281 406.3047 11.76640 404.8584 12.49086 1.446289       17.16012 
1 1 1 4   13 8  f 309.4349 8.004557 2811.404       145.1417 2703.129       187.8534 2971.775       228.6226 303.2638 10.57824 317.8719 12.28669 -14.60809      16.21302 
1 1 1 4   13 9  o 363.9095 8.375331 3886.014       178.7499 3952.570       243.1880 3807.799       263.6285 366.7350 11.32034 359.8609 12.51031 6.874115       16.87181 
1 1 1 4   13 10 o 469.9816 9.479142 6482.836       261.2766 6089.664       336.0759 7083.534       415.4067 455.1796 12.60150 490.7762 14.44816 -35.59659      19.17152 
1 1 1 4   13 11 o 567.9182 10.84957 9469.028       361.3673 9342.084       489.0042 9621.759       536.3755 563.6184 14.80653 571.8603 16.00870 -8.241882      21.80623 
1 1 1 4   13 12 o 431.8058 9.731334 5472.991       246.4401 5318.331       321.2325 5694.223       384.1964 425.3087 12.89337 439.9042 14.91327 -14.59552      19.71407 
1 1 1 4   13 13 f 1060.991 13.62033 33076.03       847.5197 32374.01       966.8944 35404.12       1760.778 1049.324 15.71155 1094.009 27.46482 -44.68481      31.64126 
1 1 1 4   13 14 o 946.0310 12.23754 26288.60       678.9691 25942.37       781.1255 27358.68       1373.243 939.5085 14.17652 962.3824 24.34995 -22.87390      28.17612 
1 1 1 4   13 15 o 240.9149 8.848388 1705.851       124.8073 1679.254       136.5104 1841.321       308.0845 238.9670 9.760953 249.0104 21.30046 -10.04332      23.43044 
1 1 1 4   13 16 o 817.3859 10.60211 19620.36       508.2414 19498.00       588.4215 19979.79       1008.530 814.6262 12.31628 822.8492 20.91559 -8.222961      24.27247 
1 1 1 4   13 17 o 411.2316 6.747831 4962.177       162.7426 5051.849       184.5485 4648.566       345.1259 414.8956 7.584399 397.2617 14.83934 17.63397       16.66520 
1 1 1 4   13 18 f 233.0763 6.552378 1595.361       89.47802 1595.361       89.47802 0.000000       0.000000 233.0763 6.552378 ?        ?        0.000000       6.552378 
1 1 1 4   13 19 o 636.6646 12.94533 11923.07       483.3639 11923.07       483.3639 0.000000       0.000000 636.6646 12.94533 ?        ?        0.000000       12.94533 
1 1 1 4   13 20 o 229.4898 6.206353 1546.737       83.45483 1548.394       89.75356 1536.164       226.7735 229.5852 6.672958 227.5475 17.11850 2.037720       18.37312 
1 1 1 4   13 21 o 46.68087 20.66573 -36.62928      111.8709 69.85696       135.5927 -263.6523      197.9814 63.38256 24.91564 50.20398 23.97906 13.17857       34.58012 
1 1 1 4   13 22 o 658.2934 8.890173 12735.28       343.2260 12750.41       401.5547 12694.25       661.2562 658.4198 10.39899 655.0450 17.22762 3.374817       20.12287 
1 1 1 4   13 23 o 506.2346 7.339273 7527.732       217.8991 7608.916       253.8669 7300.568       424.6599 508.8082 8.507488 497.0827 14.58249 11.72552       16.88273 
1 1 1 4   13 24 o 291.8417 6.101082 2500.865       104.4251 2487.254       114.2612 2569.865       257.2655 291.0072 6.694904 294.4984 14.94411 -3.491241      16.37523 
1 1 1 4   13 25 o 210.9790 6.508964 1308.672       80.44181 1285.666       86.04440 1468.276       226.6319 209.0692 7.027482 221.7583 17.56919 -12.68915      18.92253 
1 1 1 4   13 26 o 201.5118 6.704524 1194.385       79.12500 1210.654       84.04670 1067.549       234.6684 202.8462 7.075692 187.7229 21.71502 15.12332       22.83873 
1 1 1 4   13 27 o 187.2974 6.982340 1032.447       76.56361 1056.385       80.88797 826.3619       237.3403 189.4280 7.294604 163.6282 25.56828 25.79974       26.58850 
1 1 1 4   13 28 o 210.5531 6.954126 1304.462       85.75481 1307.341       91.33558 1283.044       249.1459 210.7377 7.401538 206.0126 20.91036 4.725189       22.18166 
1 1 1 4   13 29 o 123.8093 10.18668 454.7678       73.31306 451.6911       76.81319 486.2386       245.6666 123.3088 10.72831 123.3555 33.22109 -0.4667664E-01 34.91042 
1 1 1 4   13 30 o 245.7345 7.108932 1776.503       102.3445 1834.472       111.4861 1465.880       258.0709 249.6546 7.623239 220.5730 20.17279 29.08165       21.56514 
1 1 1 4   13 31 o 264.5238 7.655509 2059.449       118.6403 2038.548       129.0628 2173.404       301.3583 263.0816 8.375558 269.1822 19.21552 -6.100586      20.96154 
1 1 1 4   13 32 o 138.1332 11.02608 566.5792       88.58340 597.5654       92.76763 246.1461       298.3192 141.8489 11.24305 99.31720 37.49368 42.53174       39.14310 
1 1 1 4   13 33 o 100.0193 15.15874 303.6954       86.13606 299.5610       90.05453 348.1262       295.2169 99.12949 16.03741 108.3593 37.80438 -9.229828      41.06543 
1 1 1 4   13 34 f 409.5658 7.343166 4936.550       176.3833 4932.668       194.8965 4954.121       414.6391 409.2417 8.120329 406.5894 17.42904 2.652344       19.22787 
1 1 1 4   13 35 o 131.5325 12.15467 517.1124       92.70187 527.5925       96.90472 404.0953       318.2255 132.7781 12.59482 113.5864 39.27133 19.19171       41.24157 
1 1 1 4   13 36 o 33.81361 15.93799 -88.14890      81.97878 -58.74595      84.96688 -484.2667      311.8648 37.21504 17.08614 58.75760 28.56121 -21.54256      33.28181 
1 1 1 4   13 37 o 260.2960 8.068501 2000.469       123.0229 1950.168       131.4372 2356.034       349.4507 256.8475 8.738269 276.8399 21.69641 -19.99240      23.38999 
1 1 1 4   13 38 o 289.9216 9.051308 2488.617       153.7128 2484.011       167.5299 2513.135       386.5251 289.3864 9.885571 283.7888 23.43236 5.597504       25.43226 
1 1 1 4   13 39 o 144.4539 11.55608 626.4273       97.08591 671.5800       101.4406 134.1409       334.9491 149.5701 11.65620 88.38235 37.41492 61.18774       39.18856 
1 1 1 4   13 40 f 150.5619 11.21537 681.4990       98.32153 703.8832       103.0615 454.8035       327.9791 152.9050 11.57882 111.4706 39.76202 41.43446       41.41361 
1 1 1 4   13 41 f 53.83187 20.54968 70.06264       90.22109 54.36749       93.48352 283.2301       344.5186 51.95111 20.60483 96.04903 39.04433 -44.09793      44.14769 
1 1 1 4   13 42 o 155.3962 11.35163 729.6287       102.7408 689.8334       107.7477 1128.215       340.9991 150.6920 12.29865 175.3221 34.39312 -24.63005      36.52593 
1 1 1 4   13 43 o 76.53970 21.66878 195.8291       101.6431 230.3214       105.7597 -221.5522      367.8967 82.89568 21.55532 69.31532 32.98980 13.58036       39.40760 
1 1 1 4   13 44 o 32.32410 15.84278 -182.1064      101.8335 -195.0271      106.3833 -40.67068      351.9742 32.75439 16.08201 74.17678 34.31345 -41.42239      37.89517 
1 1 1 4   13 45 o 60.75456 22.15813 110.9846       102.5409 139.0580       106.8214 -218.4018      365.9009 65.64869 22.75013 67.54379 32.35214 -1.895103      39.55034 
1 1 1 4   13 46 o 58.69801 22.42452 96.78348       107.4882 50.08378       111.5497 703.2899       402.0027 52.96972 21.94736 117.2837 43.67990 -64.31400      48.88375 
1 1 1 4   13 47 o 73.05557 23.43455 186.2760       113.7152 206.6771       119.3250 -15.51812      375.2832 76.43097 23.94391 73.84191 34.58205 2.589058       42.06221 
1 1 1 4   13 48 o 101.0377 22.27883 357.6837       128.4600 306.8197       134.9171 851.2316       420.2680 91.78162 24.57595 122.7141 44.84279 -30.93250      51.13564 
1 1 1 4   13 49 o 61.11432 24.22873 105.4352       129.2061 110.2824       134.7700 50.33982       454.3634 62.18811 24.71572 78.43698 37.13627 -16.24887      44.60907 
1 1 1 4   14 0  o 636.8942 11.23119 11911.88       419.5110 10924.05       521.4239 13724.81       706.3826 609.6136 14.58431 682.6962 17.65740 -73.08264      22.90165 
1 1 1 4   14 1  o 870.7579 12.18178 22271.21       622.0977 22016.37       750.5747 22830.44       1111.876 865.4183 14.78827 880.0551 21.54249 -14.63678      26.12990 
1 1 1 4   14 2  o 579.6255 7.430196 9857.822       252.5796 9674.511       345.9380 10067.12       369.6419 574.0509 10.27537 585.5497 10.76383 -11.49878      14.88097 
1 1 1 4   14 3  o 628.2780 9.091824 11585.36       335.0066 11407.39       403.1799 11982.24       602.0909 623.3035 11.02932 638.1436 16.10053 -14.84015      19.51596 
1 1 1 4   14 4  o 697.4670 10.11688 14280.11       413.8291 14160.29       704.3875 14343.27       511.3909 693.8214 17.31065 698.8134 12.47789 -4.991943      21.33908 
1 1 1 4   14 5  o 474.0280 8.236023 6593.668       228.9666 7024.770       387.4887 6362.392       283.8151 488.8078 13.52971 465.5457 10.39496 23.26212       17.06189 
1 1 1 4   14 6  o 647.9973 10.26886 12325.88       390.2529 12598.00       639.0450 12164.04       492.8203 654.3464 16.66583 643.5233 13.05791 10.82312       21.17212 
1 1 1 4   14 7  o 611.4788 9.941147 10974.96       356.5073 11112.24       571.3855 10887.46       456.1972 614.6290 15.86459 608.8446 12.77602 5.784424       20.36939 
1 1 1 4   14 8  o 764.8137 13.44858 17183.08       603.2297 17017.47       836.6436 17362.38       870.5579 760.4831 18.75860 767.8265 19.34774 -7.343384      26.94847 
1 1 1 4   14 9  o 330.6858 8.913833 3211.512       172.7167 3090.649       224.3267 3387.462       270.6631 324.2097 11.81767 339.2954 13.62967 -15.08572      18.03955 
1 1 1 4   14 10 o 447.4041 9.693182 5875.404       254.3413 5742.007       336.4492 6053.298       388.5323 441.9369 12.99513 453.6150 14.62369 -11.67810      19.56338 
1 1 1 4   14 11 o 497.8967 10.45002 7277.793       305.1455 7217.436       407.5422 7354.805       460.3486 495.4004 14.04119 499.9153 15.72100 -4.514954      21.07854 
1 1 1 4   14 12 o 389.6863 10.35278 4461.339       236.3948 4321.042       304.3867 4674.569       375.2529 383.2455 13.56386 398.3776 16.09436 -15.13211      21.04772 
1 1 1 4   14 13 o 431.2135 10.88367 5463.490       275.0242 5342.431       356.4906 5641.473       432.2531 426.0981 14.28573 437.5815 16.87499 -11.48337      22.10989 
1 1 1 4   14 14 o 362.3627 7.467049 3853.027       158.6876 3790.468       175.3168 4136.660       373.2978 359.3796 8.318010 374.5465 17.03877 -15.16684      18.96072 
1 1 1 4   14 15 o 476.8745 7.230941 6673.043       202.2318 6512.288       223.6833 7392.629       473.2521 471.0548 8.096765 500.9950 16.12779 -29.94022      18.04614 
1 1 1 4   14 16 o 667.8334 8.976955 13093.30       351.5991 12973.19       404.8324 13462.03       709.3267 664.6358 10.38583 675.7972 17.91276 -11.16144      20.70585 
1 1 1 4   14 17 o 397.8173 6.591082 4643.959       153.7768 4698.887       172.6321 4432.912       338.3879 400.1290 7.356496 387.8378 14.90470 12.29120       16.62132 
1 1 1 4   14 18 o 353.5766 7.277510 3669.505       150.9096 3646.590       172.4033 3744.600       312.1006 352.4174 8.341376 356.3102 14.96871 -3.892700      17.13595 
1 1 1 4   14 19 o 301.5226 6.859112 2668.590       121.2937 2694.808       136.5641 2570.630       263.9728 302.8649 7.694654 294.9762 15.31125 7.888733       17.13599 
1 1 1 4   14 20 f 377.5166 6.364584 4183.152       140.9148 4247.959       158.8273 3943.469       305.4429 380.3845 7.119535 365.5713 14.27391 14.81326       15.95093 
1 1 1 4   14 21 o 347.0415 6.154547 3535.281       125.2645 3514.569       139.1980 3623.483       287.2424 345.9808 6.860102 350.3265 14.00882 -4.345734      15.59834 
1 1 1 4   14 22 o 280.4185 5.969785 2308.377       98.17839 2347.067       107.8832 2121.893       236.8524 282.7299 6.506262 267.6427 15.15128 15.08719       16.48917 
1 1 1 4   14 23 o 257.8089 5.938483 1951.389       89.78918 1962.604       97.54053 1889.119       229.8354 258.5215 6.433362 252.2890 15.60991 6.232437       16.88364 
1 1 1 4   14 24 o 163.3947 6.997181 785.7678       66.89672 809.2522       70.38678 566.4183       215.1147 165.8002 7.256188 134.6186 28.15351 31.18158       29.07357 
1 1 1 4   14 25 f 299.1376 6.111684 2628.084       107.2216 2659.009       118.0113 2481.787       256.6764 300.8461 6.688498 289.1425 15.18971 11.70364       16.59709 
1 1 1 4   14 26 o 255.8987 6.301364 1923.729       94.56995 1970.121       102.2830 1650.468       248.2403 258.8446 6.743477 234.8095 18.16750 24.03517       19.37866 
1 1 1 4   14 27 o 208.5871 6.842014 1280.075       83.58604 1240.328       88.36175 1618.241       257.7394 205.2667 7.351861 232.1454 19.09964 -26.87869      20.46573 
1 1 1 4   14 28 o 281.0535 6.461146 2321.054       106.4998 2325.074       115.1627 2297.310       279.8877 281.2486 6.981857 277.3599 17.29241 3.888733       18.64869 
1 1 1 4   14 29 o 134.5334 9.943277 536.1428       77.89868 568.9662       81.50275 189.4377       264.8867 138.5909 10.09663 91.43406 35.13399 47.15684       36.55597 
1 1 1 4   14 30 o 93.32194 18.55669 268.3834       97.98605 280.7586       105.4561 190.1997       265.0654 95.31322 19.52274 91.54205 35.15344 3.771172       40.21072 
1 1 1 4   14 31 o 46.73525 19.00587 26.72821       81.67372 45.64804       85.70624 -160.2547      269.4355 50.50582 19.82240 66.84286 30.59067 -16.33704      36.45157 
1 1 1 4   14 32 o 450.9667 7.492246 5982.164       198.1559 6097.746       224.7172 5578.105       420.1589 455.1172 8.419042 432.5565 16.59305 22.56067       18.60671 
1 1 1 4   14 33 o 187.2178 8.987701 1035.267       98.39568 1020.116       103.6417 1173.667       313.2413 185.7539 9.545641 193.5602 28.44140 -7.806320      30.00055 
1 1 1 4   14 34 o 34.43178 16.30487 -101.5785      87.66478 -80.08170      91.42007 -347.2319      309.0407 37.17029 17.29502 63.45156 30.20947 -26.28127      34.80991 
1 1 1 4   14 35 o 124.5309 12.82852 465.2387       92.35336 468.4757       96.37724 428.8839       322.9861 124.8476 13.37065 115.8602 39.58173 8.987480       41.77904 
1 1 1 4   14 36 o 33.93175 16.23892 -123.4785      91.76366 -73.15952      95.55605 -719.9315      328.9884 38.76924 17.91468 54.46365 27.02249 -15.69441      32.42145 
1 1 1 4   14 37 o 250.8789 8.185221 1859.623       120.2716 1810.536       126.8412 2297.007       378.6229 247.4078 8.755517 271.4694 24.02920 -24.06163      25.57462 
1 1 1 4   14 38 o 58.29488 21.29924 88.68168       94.80810 53.88329       99.65762 420.3526       307.6697 53.68612 21.28032 111.4790 38.61094 -57.79287      44.08692 
1 1 1 4   14 39 o 244.4150 8.224633 1770.615       117.7269 1768.673       124.1593 1787.913       370.5639 244.1313 8.685561 233.4782 27.59507 10.65315       28.92969 
1 1 1 4   14 40 o 98.43761 16.40347 303.7401       91.36865 321.0585       94.84211 80.21111       340.7335 101.2088 16.54984 83.38313 36.51971 17.82563       40.09471 
1 1 1 4   14 41 o 143.9594 12.15142 628.5208       101.6359 622.8129       106.0045 693.5212       357.7230 143.0558 12.76889 130.5889 41.52948 12.46689       43.44815 
1 1 1 4   14 42 o 254.9591 8.223379 1934.778       122.8013 1913.079       129.1783 2138.417       395.7325 253.2967 8.708754 250.4904 27.38324 2.806259       28.73472 
1 1 1 4   14 43 f 38.21686 17.90488 -83.94566      100.7651 -81.93215      104.6218 -109.7561      374.5780 39.27298 18.34908 73.57484 34.48669 -34.30186      39.06431 
1 1 1 4   14 44 o 84.16302 21.58438 240.3667       107.0419 296.1452       111.4669 -420.6136      383.7134 93.99744 20.77363 63.51937 31.05219 30.47807       37.36016 
1 1 1 4   14 45 o 214.8233 10.18001 1394.896       127.8918 1403.312       134.3082 1313.080       418.7774 215.1518 10.67741 171.7130 41.94905 43.43878       43.28660 
1 1 1 4   14 46 o 88.84972 21.66679 272.7662       111.8717 234.9962       117.8238 618.5172       356.4848 81.58680 23.40649 112.5104 41.27003 -30.92358      47.44554 
1 1 1 4   14 47 o 50.84142 21.68956 30.99166       114.0656 11.12335       119.2053 246.6019       392.6900 49.60810 21.66674 85.93842 38.34123 -36.33031      44.03973 
1 1 1 4   14 48 o 94.47438 23.26253 318.9157       128.0198 273.9393       135.1330 712.7083       399.8552 86.22962 25.16587 113.4369 43.27169 -27.20732      50.05757 
1 1 1 4   14 49 o 78.25938 24.41699 223.8665       124.2182 192.4042       128.8889 634.5238       465.6507 73.08488 25.00314 102.9218 43.86277 -29.83692      50.48861 
1 1 1 4   15 0  o 653.1454 11.47543 12525.94       439.5715 11694.28       562.5305 13830.11       704.4326 630.7773 15.20616 685.4832 17.53674 -54.70581      23.21130 
1 1 1 4   15 1  o 702.9529 10.04055 14504.65       413.9369 14606.86       513.0297 14314.01       700.6859 705.2397 12.40382 697.6526 17.12512 7.587036       21.14532 
1 1 1 4   15 2  o 513.7901 7.796484 7745.563       234.9281 7321.907       268.4815 9129.849       485.3113 499.4839 9.165210 557.1782 14.86497 -57.69427      17.46334 
1 1 1 4   15 3  o 774.5674 10.97090 17613.84       498.3699 17031.85       582.3870 19205.75       963.1980 761.4772 13.04080 807.3909 20.35766 -45.91370      24.17637 
1 1 1 4   15 4  f 497.5198 7.605503 7262.529       221.9161 6962.958       258.7253 8096.401       431.6570 487.0929 9.056839 524.7612 14.03837 -37.66830      16.70635 
1 1 1 4   15 5  o 351.3492 5.570842 3621.016       114.7917 3778.077       162.2613 3463.650       162.4187 358.8383 7.710199 343.5728 8.060592 15.26556       11.15439 
1 1 1 4   15 6  o 488.8973 7.009589 7012.398       200.9836 6642.970       364.2035 7174.164       241.0029 475.3801 13.07571 494.4555 8.310831 -19.07535      15.49336 
1 1 1 4   15 7  o 608.8148 10.03885 10880.00       358.4426 10891.86       566.4155 10872.07       462.9284 608.4800 15.88583 608.3876 12.97427 0.9240723E-01  20.51076 
1 1 1 4   15 8  o 467.1005 9.782847 6404.219       267.9947 6349.633       363.0026 6469.613       397.3217 464.7207 13.33264 468.9861 14.46276 -4.265320      19.67056 
1 1 1 4   15 9  o 251.4573 10.47518 1859.511       154.1431 1870.575       196.9583 1842.025       247.6188 251.9782 13.37578 249.6802 17.01182 2.298019       21.64055 
1 1 1 4   15 10 o 131.9495 19.41660 523.4639       145.7675 428.2405       176.8636 725.1387       257.3906 118.1222 26.21508 154.0027 29.57272 -35.88052      39.51932 
1 1 1 4   15 11 o 959.7686 16.76292 27096.65       943.5540 26504.00       1283.265 27794.15       1392.150 947.8851 23.08394 970.0186 24.49080 -22.13342      33.65512 
1 1 1 4   15 12 o 336.6609 11.43112 3332.488       225.3728 3055.999       278.5517 3856.543       383.4911 322.0751 14.78626 361.5038 18.14608 -39.42865      23.40755 
1 1 1 4   15 13 o 796.1196 14.32842 18632.91       669.0016 17792.19       875.7678 19810.95       1036.679 777.1651 19.21433 819.3010 21.59381 -42.13593      28.90472 
1 1 1 4   15 14 f 530.0728 10.87224 8252.174       337.9908 7728.567       425.7061 9145.107       555.9255 512.5068 14.17677 557.1270 17.03423 -44.62024      22.16180 
1 1 1 4   15 15 o 541.5078 7.772371 8606.058       246.8361 8528.301       279.6184 8880.566       525.3810 538.9873 8.845792 549.0284 16.33474 -10.04114      18.57611 
1 1 1 4   15 16 o 260.3650 6.479486 1989.201       98.94040 1989.201       98.94040 0.000000       0.000000 260.3650 6.479486 ?        ?        0.000000       6.479486 
1 1 1 4   15 17 o 295.8010 7.038430 2568.104       122.1029 2541.918       135.2038 2683.919       284.3407 294.1527 7.844283 301.3914 16.14528 -7.238770      17.95000 
1 1 1 4   15 18 o 502.9670 7.352529 7426.440       216.8836 7512.635       251.7351 7178.186       427.2184 505.7844 8.486485 493.4408 14.77931 12.34363       17.04255 
1 1 1 4   15 19 o 287.2001 6.051222 2420.787       101.9244 2486.899       111.6086 2088.658       250.1559 291.0749 6.537965 265.6069 16.13520 25.46793       17.40947 
1 1 1 4   15 20 o 208.4061 6.204063 1276.039       75.74491 1254.911       80.21214 1450.022       230.1823 206.6443 6.627169 220.7310 17.93549 -14.08664      19.12070 
1 1 1 4   15 21 o 364.0784 6.193990 3891.413       132.2562 3917.479       148.7510 3793.047       288.9636 365.2420 6.944303 358.3798 13.77394 6.862213       15.42546 
1 1 1 4   15 22 o 201.0402 6.257500 1187.894       73.68942 1168.621       78.48046 1331.448       214.1843 199.3658 6.721742 211.3085 17.43812 -11.94272      18.68876 
1 1 1 4   15 23 o 151.7958 7.071166 678.3926       62.77784 680.7546       66.43513 658.6934       191.8543 152.0249 7.474222 146.7757 23.04624 5.249146       24.22794 
1 1 1 4   15 24 o 216.6934 6.230651 1380.235       79.10035 1390.804       84.27068 1301.950       229.3549 217.4891 6.614446 208.3692 18.97624 9.119949       20.09598 
1 1 1 4   15 25 o 227.0403 6.350668 1515.474       84.47847 1529.209       90.53233 1422.961       234.9638 228.0269 6.777185 217.8562 18.56670 10.17064       19.76493 
1 1 1 4   15 26 o 260.5821 6.382100 1995.008       97.53461 1978.279       104.4423 2109.077       272.7209 259.3571 6.872432 265.6919 17.60130 -6.334778      18.89540 
1 1 1 4   15 27 o 126.3273 9.528360 472.6723       70.07331 528.8702       73.91333 -26.40666      220.2660 133.6710 9.490045 67.67939 29.50783 65.99162       30.99634 
1 1 1 4   15 28 o 302.5369 6.630272 2689.718       117.6414 2700.790       127.8140 2628.351       300.9096 303.1019 7.190173 296.7278 17.36721 6.374146       18.79677 
1 1 1 4   15 29 o 234.2444 7.758430 1615.427       106.4373 1679.429       113.9496 1177.480       298.0766 238.7963 8.148384 195.4488 26.70170 43.34744       27.91732 
1 1 1 4   15 30 o 357.2617 7.140687 3752.160       149.6156 3878.773       167.0418 3238.542       336.4393 363.1457 7.843208 329.4184 17.47693 33.72729       19.15618 
1 1 1 4   15 31 o 296.2777 7.309965 2581.305       127.0179 2632.504       137.8177 2292.506       327.3203 299.0331 7.865249 275.9041 20.37222 23.12900       21.83780 
1 1 1 4   15 32 o 178.1746 9.229609 938.0362       96.11623 957.0683       101.2961 766.0933       304.4681 179.9170 9.635117 153.6282 34.62402 26.28885       35.93965 
1 1 1 4   15 33 o 336.8237 8.587811 3345.310       169.5045 3554.608       194.1160 2673.354       347.8162 346.9821 9.548098 297.3481 20.06244 49.63394       22.21864 
1 1 1 4   15 34 o 110.0050 14.50379 366.2976       91.29419 395.7686       95.41563 47.09594       314.0182 114.4025 14.54983 84.04800 35.92524 30.35449       38.75977 
1 1 1 4   15 35 o 220.1804 8.672262 1432.439       111.7664 1443.107       118.2112 1342.529       343.1812 220.9070 9.144052 205.3105 29.33401 15.59647       30.72618 
1 1 1 4   15 36 o 115.5077 14.55550 404.5991       96.41795 400.4379       100.3688 454.3547       347.0659 114.7077 15.30081 117.7925 40.99664 -3.084801      43.75887 
1 1 1 4   15 37 o 279.4682 8.139900 2308.078       133.2720 2257.589       141.8710 2687.101       388.7144 276.2209 8.768737 294.1346 22.70952 -17.91373      24.34364 
1 1 1 4   15 38 o 438.3308 7.637594 5676.456       196.3401 5612.881       215.8629 5981.000       472.4554 435.5047 8.451517 441.8898 18.26981 -6.385071      20.12993 
1 1 1 4   15 39 o 305.7152 7.430414 2764.151       133.2234 2768.744       143.7414 2736.169       354.8002 305.6509 8.025674 295.2979 20.61624 10.35303       22.12331 
1 1 1 4   15 40 o 145.1256 12.15163 637.7460       102.4772 630.1117       107.0000 722.3674       356.2381 144.0006 12.80311 134.6355 41.23807 9.365143       43.17983 
1 1 1 4   15 41 o 121.8413 13.96290 456.8996       97.97433 462.8506       101.7231 380.5934       364.2511 122.4436 14.44313 102.6674 40.68773 19.77621       43.17517 
1 1 1 4   15 42 o 41.73061 18.81748 -34.79020      97.39571 27.13500       100.9964 -857.1143      368.0387 49.23685 20.67756 53.17954 26.71236 -3.942692      33.78035 
1 1 1 4   15 43 o 87.93806 21.06594 259.6315       107.2159 267.8861       111.9912 168.9818       371.1228 89.07495 21.65172 85.82629 37.83333 3.248657       43.59080 
1 1 1 4   15 44 o 102.6978 19.02729 346.3897       110.3818 368.1250       114.7687 78.26869       403.0941 105.8471 19.19481 81.85003 37.44285 23.99709       42.07621 
1 1 1 4   15 45 o 43.95779 20.19889 -56.04556      119.0899 -51.45678      125.0916 -100.4530      389.1414 45.48366 20.82618 72.61026 34.37465 -27.12660      40.19138 
1 1 1 4   15 46 o 59.02631 23.20424 93.35328       117.6098 123.2501       123.3472 -205.7770      390.1639 63.61103 24.08776 68.31548 32.89878 -4.704453      40.77438 
1 1 1 4   15 47 o 75.90270 24.15415 205.8305       120.9926 173.7331       126.5482 547.5003       412.8809 70.74712 24.74666 102.1419 42.26374 -31.39479      48.97572 
1 1 1 4   15 48 o 126.9440 18.20290 532.1537       131.6474 537.9767       137.5589 468.7386       453.9511 126.9914 19.05745 95.68751 42.02338 31.30385       46.14272 
1 1 1 4   16 0  o 414.5171 12.54067 5051.009       304.5186 5051.009       304.5186 0.000000       0.000000 414.5171 12.54067 ?        ?        0.000000       12.54067 
1 1 1 4   16 1  o 859.8254 14.73050 21725.83       742.8108 21424.04       1028.673 22054.65       1073.763 852.9628 20.56349 865.3188 21.15835 -12.35602      29.50479 
1 1 1 4   16 2  o 270.1686 7.635779 2143.328       120.8657 1979.646       182.5263 2271.147       161.2955 259.3618 12.03245 277.9875 9.909273 -18.62567      15.58761 
1 1 1 4   16 3  o 478.9324 7.447755 6729.919       209.1944 6617.236       252.5841 6976.036       373.2897 474.8423 9.069974 487.1553 13.07739 -12.31299      15.91485 
1 1 1 4   16 4  o 205.6834 5.545286 1241.849       66.83089 1290.960       85.27801 1163.677       107.5902 209.6538 6.945181 198.9075 9.248294 10.74631       11.56575 
1 1 1 4   16 5  o 142.4947 6.335693 596.8322       52.81483 665.8005       62.36327 421.9042       99.31924 150.4770 7.086469 118.9421 14.53988 31.53493       16.17486 
1 1 1 4   16 6  o 769.7983 9.571847 17393.52       432.1388 18086.58       641.6459 16818.21       584.6025 784.5667 13.94489 756.6388 13.17412 27.92786       19.18378 
1 1 1 4   16 7  o 375.2852 7.909789 4132.675       174.0912 3820.609       262.5752 4377.460       232.5538 360.4485 12.43974 386.0152 10.28147 -25.56662      16.13864 
1 1 1 4   16 8  o 225.7400 8.228948 1497.379       108.7617 1196.479       193.4319 1636.490       131.5214 201.0230 16.55365 235.9285 9.524873 -34.90544      19.09834 
1 1 1 4   16 9  o 432.0471 10.31514 5480.210       261.3706 5183.613       332.9657 5956.382       421.8891 419.7964 13.54188 449.7681 16.01966 -29.97171      20.97646 
1 1 1 4   16 10 o 773.4268 14.06002 17581.31       637.7578 16856.69       838.4012 18576.40       982.4910 756.6252 18.89385 793.5983 21.12827 -36.97308      28.34398 
1 1 1 4   16 11 o 321.6083 11.48068 3041.709       216.1962 2885.098       264.5205 3356.820       375.2148 312.9414 14.45174 337.0686 19.05829 -24.12723      23.91801 
1 1 1 4   16 12 o 772.3622 14.00016 17536.73       634.1683 16555.44       817.1660 19022.64       1005.561 749.7288 18.58470 802.8059 21.37637 -53.07709      28.32561 
1 1 1 4   16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   16 14 o 604.2540 11.60482 10728.01       411.2524 10298.57       533.4913 11356.94       645.6158 591.3940 15.39463 620.6413 17.75536 -29.24731      23.49995 
1 1 1 4   16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   16 16 o 511.0851 10.58828 7675.534       317.3723 8206.261       459.0916 7189.732       439.2313 527.7247 14.84818 493.8764 15.18240 33.84836       21.23615 
1 1 1 4   16 17 o 199.3939 6.396513 1168.038       74.70393 1141.266       79.16940 1385.473       225.6242 197.0652 6.860565 215.9121 17.98103 -18.84689      19.24539 
1 1 1 4   16 18 o 271.2915 6.013824 2160.010       95.68358 2139.264       102.6535 2297.410       264.1763 269.9672 6.483545 278.5918 16.23910 -8.624634      17.48556 
1 1 1 4   16 19 o 269.1812 6.040375 2126.788       95.35844 2166.553       103.3062 1897.775       247.9156 271.6663 6.483954 252.9190 16.80906 18.74730       18.01627 
1 1 1 4   16 20 o 97.33471 10.10787 281.6254       56.86110 280.2724       59.20352 297.7147       204.1648 97.03577 10.57402 99.67417 31.33329 -2.638405      33.06939 
1 1 1 4   16 21 o 275.3600 6.037956 2226.118       97.50823 2240.359       106.6621 2153.675       240.5757 276.2077 6.584519 269.5398 15.28133 6.667908       16.63956 
1 1 1 4   16 22 f 300.3167 6.082329 2648.300       107.1272 2687.402       118.2974 2470.087       252.5487 302.4843 6.668401 288.6726 14.96839 13.81171       16.38658 
1 1 1 4   16 23 o 253.5772 6.149932 1888.414       91.45995 1954.412       99.06293 1507.292       238.0547 257.8609 6.555828 224.5224 18.23553 33.33852       19.37816 
1 1 1 4   16 24 f 32.47096 14.35735 -17.14766      53.83596 -41.79772      55.70995 330.8699       209.3265 30.00034 13.79626 103.5017 31.59370 -73.50136      34.47461 
1 1 1 4   16 25 o 190.3284 6.923716 1066.035       77.15588 1087.109       82.06873 905.6622       226.3990 192.1656 7.295263 172.2205 22.98866 19.94511       24.11844 
1 1 1 4   16 26 o 187.9164 7.203494 1039.631       79.24163 1020.256       83.41552 1218.835       253.6839 186.1060 7.658876 200.4272 21.93976 -14.32118      23.23814 
1 1 1 4   16 27 o 273.4574 6.589993 2197.469       105.6879 2203.739       114.5797 2161.714       273.6286 273.7039 7.144103 268.9760 17.43995 4.727875       18.84649 
1 1 1 4   16 28 o 153.5356 9.615910 697.0287       86.15170 741.5116       90.51797 269.0259       280.7772 158.3535 9.794621 100.3479 36.65567 58.00555       37.94170 
1 1 1 4   16 29 o 276.9754 8.591372 2259.778       139.3891 2157.258       151.5011 2825.131       355.7716 270.4660 9.566145 306.8622 19.87559 -36.39612      22.05788 
1 1 1 4   16 30 o 79.13522 18.64623 194.2183       85.10896 234.1828       89.82800 -156.4452      266.0846 87.07072 18.17882 66.51611 30.42556 20.55462       35.44269 
1 1 1 4   16 31 o 328.5652 7.073455 3174.601       136.3025 3158.730       147.7538 3265.245       353.1112 327.6591 7.688931 330.1042 18.31112 -2.445129      19.85993 
1 1 1 4   16 32 o 204.8068 8.971278 1238.543       107.4965 1258.993       114.5175 1086.940       311.8008 206.4106 9.485313 185.5651 29.64769 20.84546       31.12807 
1 1 1 4   16 33 o 203.4463 8.791907 1222.675       104.6543 1280.325       110.8584 750.4362       317.2855 208.1417 9.103545 150.2888 36.38987 57.85287       37.51129 
1 1 1 4   16 34 o 289.3430 7.758815 2468.302       131.5427 2527.324       141.6381 2097.986       354.7809 292.6795 8.259845 261.0133 23.42533 31.66623       24.83891 
1 1 1 4   16 35 o 423.3757 7.607586 5282.062       188.8963 5308.754       208.3057 5158.525       448.1386 424.2249 8.372488 413.0488 18.54683 11.17606       20.34904 
1 1 1 4   16 36 o 145.5565 13.05113 636.3681       110.2302 636.3681       110.2302 0.000000       0.000000 145.5565 13.05113 ?        ?        0.000000       13.05113 
1 1 1 4   16 37 o 364.0956 7.416017 3912.051       158.3568 4028.991       172.9930 3307.372       393.3758 369.3109 7.987041 327.3556 20.59414 41.95523       22.08871 
1 1 1 4   16 38 o 304.6348 7.415373 2742.470       132.4839 2731.495       141.4302 2821.080       378.5091 303.7502 7.945990 299.7448 21.67796 4.005493       23.08837 
1 1 1 4   16 39 o 110.0290 15.24802 374.7928       95.75327 377.1855       99.99863 348.3939       332.1521 110.1219 15.94716 101.6252 39.26576 8.496651       42.38056 
1 1 1 4   16 40 o 153.0820 17.02115 731.4440       150.2334 640.3729       168.3357 1087.875       333.0226 140.9598 21.00272 173.3707 33.96815 -32.41083      39.93682 
1 1 1 4   16 41 o 102.7665 17.53576 336.4811       101.8988 389.0229       105.7311 -349.1415      381.9381 111.0168 16.76076 67.17647 32.40037 43.84032       36.47886 
1 1 1 4   16 42 o 34.12358 16.56783 -159.6472      104.1349 -166.0220      108.6150 -87.11829      366.3618 34.82442 16.91097 73.94136 34.47723 -39.11694      38.40131 
1 1 1 4   16 43 o 64.53819 22.47906 131.6237       104.3555 151.8885       108.8440 -98.98929      367.1771 68.17857 22.98114 72.70379 34.09945 -4.525223      41.12062 
1 1 1 4   16 44 o 203.9277 10.29468 1257.694       122.7249 1314.005       129.5571 765.6387       382.9752 208.2366 10.64380 125.9188 43.09891 82.31782       44.39377 
1 1 1 4   16 45 o 64.49086 23.85662 130.0177       119.5431 107.8251       124.9602 369.4654       410.4621 61.83615 24.03142 94.12475 40.66272 -32.28860      47.23310 
1 1 1 4   16 46 o 62.84619 23.51864 121.9608       116.8239 196.3474       122.3404 -647.5298      393.4815 74.58286 24.33878 57.37579 28.64226 17.20706       37.58664 
1 1 1 4   16 47 o 62.69450 24.25080 118.2779       126.7995 127.9411       133.1623 24.35011       415.1622 64.41877 24.86949 76.24553 35.91620 -11.82676      43.68598 
1 1 1 4   16 48 o 86.33350 24.09447 271.6942       126.6169 264.6839       131.0432 370.2372       491.3141 84.78494 24.79276 90.73062 41.44167 -5.945679      48.29175 
1 1 1 4   17 0  o 626.6355 11.18930 11529.73       411.2146 10782.40       526.8240 12695.02       657.8502 605.6871 14.83088 656.7471 17.09415 -51.06006      22.63106 
1 1 1 4   17 1  o 698.9863 12.28730 14349.75       503.7045 13324.37       637.1773 16058.19       822.4688 673.1647 16.13944 738.3726 19.00879 -65.20795      24.93624 
1 1 1 4   17 2  o 745.1715 12.95825 16311.72       566.3084 15915.71       770.6277 16776.66       835.0023 735.4861 17.86568 754.9728 18.85844 -19.48663      25.97737 
1 1 1 4   17 3  o 347.6956 6.499825 3546.611       132.5414 3429.572       157.0489 3836.311       247.0842 341.8759 7.832778 361.2494 11.67772 -19.37354      14.06135 
1 1 1 4   17 4  o 491.9927 7.792208 7102.652       224.8380 6971.725       270.4113 7395.899       404.6944 487.3618 9.460690 501.5120 13.77231 -14.15015      16.70871 
1 1 1 4   17 5  o 167.5048 11.09327 827.4609       108.3637 746.1268       200.0833 861.2205       128.9060 157.5579 22.27354 170.7294 12.97110 -13.17151      25.77518 
1 1 1 4   17 6  o 206.3271 6.560447 1250.195       79.28442 1371.739       96.59608 999.2656       138.7935 216.0803 7.634433 183.9765 12.94606 32.10378       15.02948 
1 1 1 4   17 7  o 665.0107 12.51119 12991.11       487.9526 13015.78       675.9077 12964.25       705.1598 664.8761 17.34871 663.4319 18.14047 1.444214       25.10089 
1 1 1 4   17 8  o 1105.748 16.45178 35966.88       1066.890 34101.60       1587.158 37504.50       1441.026 1074.421 25.18808 1127.798 21.78662 -53.37683      33.30309 
1 1 1 4   17 9  o 211.2724 14.17770 1317.944       174.6538 1470.517       216.5075 1033.667       295.5328 222.9445 16.67958 184.8237 28.15243 38.12080       32.72259 
1 1 1 4   17 10 o 368.3857 10.72701 3988.632       231.5096 3926.739       292.8239 4091.817       378.0862 365.2487 13.69421 372.4406 17.35719 -7.191864      22.10890 
1 1 1 4   17 11 o 137.8324 20.34671 571.9990       159.5347 532.1160       186.5175 680.7090       307.9358 132.0338 25.00226 148.1975 35.82854 -16.16374      43.68979 
1 1 1 4   17 12 o 583.8750 11.57755 10015.64       396.4489 9286.237       497.4812 11284.98       656.2692 561.6385 15.11696 618.6679 18.10679 -57.02942      23.58767 
1 1 1 4   17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   17 14 o 373.9896 10.03687 4111.505       219.9458 4023.301       279.5567 4254.809       356.3312 369.6559 12.91485 379.7451 16.03577 -10.08914      20.58978 
1 1 1 4   17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   17 16 o 364.0875 9.510517 3897.236       202.9030 3892.725       259.9191 3904.273       324.6539 363.5725 12.20711 363.6787 15.25520 -0.1062622     19.53803 
1 1 1 4   17 17 o 475.9386 7.082432 6650.187       197.6896 6424.803       218.3522 7674.821       465.5652 467.7316 7.959952 509.9053 15.58657 -42.17374      17.50149 
1 1 1 4   17 18 o 348.7279 6.185597 3569.705       126.5082 3586.932       141.7547 3502.297       280.4085 349.5243 6.915279 344.4390 13.90985 5.085266       15.53400 
1 1 1 4   17 19 o 364.1713 6.321805 3893.551       135.0197 3982.330       152.5407 3572.320       290.1614 368.2456 7.063136 347.6989 14.25963 20.54669       15.91304 
1 1 1 4   17 20 o 638.9611 8.636280 12001.68       323.6322 12514.95       394.5714 10946.52       565.7314 652.1381 10.31658 608.2443 15.87278 43.89374       18.93084 
1 1 1 4   17 21 o 149.5884 7.566734 659.2085       66.16739 723.9583       70.41228 170.2467       193.4936 156.7702 7.681726 82.79404 30.39931 73.97612       31.35485 
1 1 1 4   17 22 o 441.1577 6.810182 5717.502       176.1988 5824.452       204.3938 5408.079       347.6598 445.1332 7.829378 427.5977 13.88176 17.53555       15.93745 
1 1 1 4   17 23 o 258.3447 6.236801 1960.429       94.49567 1999.126       102.3952 1738.266       245.3453 260.7625 6.701066 241.2775 17.45650 19.48502       18.69849 
1 1 1 4   17 24 o 192.5866 6.882720 1091.389       77.61359 1149.851       82.12355 602.5470       237.4742 197.6626 7.095742 137.9778 30.18776 59.68480       31.01048 
1 1 1 4   17 25 o 227.2288 6.633930 1518.604       88.31195 1560.493       93.51782 1173.473       268.4321 230.3128 6.931390 196.0340 23.83755 34.27878       24.82485 
1 1 1 4   17 26 o 44.75211 17.44004 37.02028       65.95533 45.21342       68.25179 -78.62134      256.4165 46.76228 17.86793 69.63825 31.03126 -22.87597      35.80784 
1 1 1 4   17 27 o 387.4575 7.052292 4412.852       160.2525 4470.852       177.0931 4150.666       376.5217 389.8985 7.744612 373.1501 17.25174 16.74841       18.91035 
1 1 1 4   17 28 o 284.4373 7.360138 2380.217       122.6755 2413.781       131.7012 2160.213       337.1851 286.3730 7.849051 267.5838 21.67143 18.78922       23.04904 
1 1 1 4   17 29 o 236.8054 8.098033 1651.683       112.3006 1697.129       120.0006 1331.262       318.6366 239.9859 8.539644 207.8664 26.75725 32.11954       28.08693 
1 1 1 4   17 30 o 26.94590 13.41188 -210.6714      83.62842 -206.1070      87.11706 -264.2618      298.5070 28.10577 13.93803 65.92422 30.86380 -37.81845      33.86506 
1 1 1 4   17 31 o 265.7761 7.531168 2080.049       117.2710 2090.333       127.0455 2020.824       304.8778 266.3388 8.143007 258.6127 20.26306 7.726105       21.83804 
1 1 1 4   17 32 o 217.1938 9.115269 1393.587       115.8513 1393.587       115.8513 0.000000       0.000000 217.1938 9.115269 ?        ?        0.000000       9.115269 
1 1 1 4   17 33 o 182.7780 9.772858 989.4805       104.3793 1064.370       110.4337 362.1212       319.6305 189.5499 9.969125 109.5450 39.23253 80.00493       40.47931 
1 1 1 4   17 34 o 216.7981 8.768281 1389.178       111.2560 1404.152       117.8774 1267.012       336.6939 217.8698 9.246377 199.0630 29.75133 18.80676       31.15505 
1 1 1 4   17 35 o 223.1776 9.277514 1474.563       121.1671 1489.609       128.0959 1346.666       373.4745 224.2009 9.765409 202.9127 32.47841 21.28816       33.91475 
1 1 1 4   17 36 o 38.89894 17.87797 -63.41099      93.36028 1.373741       96.76461 -935.8317      355.0939 46.38409 19.88694 52.61791 26.40368 -6.233818      33.05518 
1 1 1 4   17 37 o 83.33418 19.90973 222.0740       95.97093 254.2194       100.2438 -131.0680      332.2557 89.30543 19.67178 73.39935 33.73154 15.90608       39.04863 
1 1 1 4   17 38 o 177.5415 9.827152 940.9390       101.9250 898.3085       106.4310 1412.653       354.0358 173.2354 10.52532 203.9038 30.54451 -30.66840      32.30711 
1 1 1 4   17 39 o 31.39953 15.20641 -133.3547      86.28209 -148.0743      89.07386 90.48527       347.3527 31.25563 15.20905 83.96685 36.82133 -52.71122      39.83875 
1 1 1 4   17 40 o 152.8837 11.85704 707.8773       105.4829 727.5130       110.0065 483.7483       371.6586 154.8536 12.21161 110.7383 41.83961 44.11527       43.58528 
1 1 1 4   17 41 o 102.0451 20.72080 342.9814       119.7691 280.4694       125.3511 998.3409       405.8694 90.89180 23.38231 152.0669 43.38341 -61.17508      49.28339 
1 1 1 4   17 42 o 132.0927 14.11329 541.3387       107.6426 552.9271       111.9182 398.3080       393.1922 133.2861 14.55365 100.2325 41.33633 33.05357       43.82352 
1 1 1 4   17 43 o 145.8657 13.18899 656.6954       111.6097 705.1507       116.8186 149.4091       377.9790 151.1148 13.31731 83.96564 37.52795 67.14912       39.82082 
1 1 1 4   17 44 o 137.5776 14.56345 593.6855       115.7247 581.3423       120.5216 739.5498       414.3102 135.5992 15.42915 119.9010 44.40218 15.69820       47.00652 
1 1 1 4   17 45 o 53.59212 22.39987 49.45086       117.6662 32.98159       122.4682 247.1933       424.3614 52.48989 22.43575 87.43362 39.36554 -34.94373      45.31014 
1 1 1 4   17 46 o 45.61096 20.65410 -30.75659      118.7968 -39.12041      124.4904 54.45661       397.3624 45.96970 20.94447 77.13512 35.94635 -31.16542      41.60302 
1 1 1 4   17 47 o 62.10959 24.44447 112.0662       130.6491 148.0519       135.9193 -325.1650      473.7740 67.12742 25.31541 69.14661 33.94774 -2.019188      42.34760 
1 1 1 4   17 48 o 68.44050 24.77042 162.3017       127.8087 148.9866       132.6607 334.4017       476.9371 66.73894 25.04413 88.25849 40.50627 -21.51955      47.62317 
1 1 1 4   18 0  o 899.3650 22.33470 23851.17       1178.058 23851.17       1178.058 0.000000       0.000000 899.3650 22.33470 ?        ?        0.000000       22.33470 
1 1 1 4   18 1  o 709.0626 12.52043 14769.03       520.6602 15227.29       759.3630 14362.44       715.2637 719.0809 18.02036 698.6565 17.45629 20.42444       25.08895 
1 1 1 4   18 2  o 255.0413 7.856990 1910.532       117.3813 1792.567       142.5589 2158.882       206.8471 246.9134 9.864480 270.7607 13.06462 -23.84732      16.37047 
1 1 1 4   18 3  o 540.8401 8.522188 8584.538       270.3153 8457.493       431.9441 8666.325       346.5692 536.2943 13.74459 543.2695 10.87738 -6.975281      17.52801 
1 1 1 4   18 4  o 486.3200 7.868740 6940.248       224.4284 7041.774       278.1028 6750.663       380.0304 489.7744 9.681857 479.1067 13.53852 10.66772       16.64421 
1 1 1 4   18 5  o 452.3405 6.813102 6003.278       180.7427 5696.299       231.0141 6487.750       290.2141 440.5367 8.941409 470.0607 10.52723 -29.52399      13.81200 
1 1 1 4   18 6  o 866.1424 10.75923 22029.48       546.5387 21755.33       751.0139 22338.13       796.8676 860.1885 14.88688 871.5219 15.59040 -11.33331      21.55644 
1 1 1 4   18 7  o 902.0828 12.87815 23911.43       681.3190 24411.70       851.7444 23022.62       1135.305 910.9729 15.94238 883.4421 21.91210 27.53082       27.09797 
1 1 1 4   18 8  o 598.9612 9.353273 10531.88       328.5586 10951.91       408.5209 9762.544       552.8755 610.6213 11.40753 575.7704 16.38965 34.85095       19.96878 
1 1 1 4   18 9  o 358.0577 8.293671 3762.923       174.1608 3450.596       260.4204 4015.638       234.2535 342.4033 12.99197 369.6093 10.81833 -27.20609      16.90644 
1 1 1 4   18 10 o 665.2700 12.42990 13006.28       484.9715 12631.42       644.7039 13494.89       736.0429 654.8168 16.80153 676.5028 18.56923 -21.68604      25.04212 
1 1 1 4   18 11 o 364.5013 10.16537 3905.088       217.0944 3960.244       284.0428 3827.609       336.6541 366.7742 13.22654 360.2454 15.97410 6.528778       20.73917 
1 1 1 4   18 12 o 624.9602 11.98250 11480.34       439.1878 11110.08       578.2433 11985.13       675.1719 614.0119 16.07152 637.3375 18.08146 -23.32556      24.19159 
1 1 1 4   18 13 o 289.4442 11.01169 2465.653       186.5849 2334.964       227.2262 2736.189       326.9266 281.3585 13.81266 303.9800 18.42463 -22.62152      23.02730 
1 1 1 4   18 14 o 252.5523 11.09479 1878.532       163.9305 1932.477       205.6624 1784.544       271.4683 255.8645 13.75606 245.0847 19.03569 10.77975       23.48588 
1 1 1 4   18 15 o 495.6166 10.28390 7219.696       298.9196 7032.375       390.8397 7483.687       463.9798 488.5251 13.65487 503.5747 15.72959 -15.04965      20.82968 
1 1 1 4   18 16 o 472.0379 10.09788 6550.069       279.5487 6689.734       380.4853 6386.242       412.0859 476.3691 13.63298 465.1434 15.12614 11.22565       20.36316 
1 1 1 4   18 17 o 338.8593 9.281742 3377.486       184.2851 3218.435       232.0481 3649.120       303.2507 330.4355 11.99394 351.4277 14.74625 -20.99222      19.00807 
1 1 1 4   18 18 o 173.9254 7.189096 889.9367       73.17294 873.2443       78.19601 1007.485       207.5066 172.2370 7.761127 183.2916 19.60790 -11.05457      21.08803 
1 1 1 4   18 19 o 75.75751 13.42287 174.2785       57.45499 153.7984       60.32837 374.0403       188.4131 70.83905 14.98939 109.4596 28.92102 -38.62060      32.57463 
1 1 1 4   18 20 o 195.8495 6.680537 1127.913       76.62106 1148.830       82.76881 1002.597       202.5939 197.6192 7.153261 182.7180 19.19192 14.90126       20.48167 
1 1 1 4   18 21 o 380.8572 6.393783 4260.382       142.8139 4369.268       163.7227 3913.883       292.0616 385.6055 7.239610 363.7298 13.71588 21.87564       15.50927 
1 1 1 4   18 22 o 193.6521 6.807528 1103.228       77.19444 1106.928       81.90301 1073.798       230.9990 193.9386 7.213440 188.4047 21.27769 5.533905       22.46717 
1 1 1 4   18 23 o 260.9299 6.396919 2000.283       97.89156 2014.090       105.5849 1915.768       261.2360 261.6997 6.885339 253.1759 17.70542 8.523773       18.99710 
1 1 1 4   18 24 o 81.69481 14.20251 203.1659       65.57830 220.0369       67.98830 -22.23049      248.5059 85.11601 14.11402 72.22131 31.41719 12.89471       34.44191 
1 1 1 4   18 25 o 288.7458 6.491558 2449.927       109.9297 2414.912       116.9968 2713.773       321.1644 286.6306 6.959864 301.2193 18.26586 -14.58871      19.54690 
1 1 1 4   18 26 o 300.5355 6.687295 2654.373       117.8683 2637.283       126.2145 2770.915       329.6029 299.5160 7.185199 304.3077 18.55655 -4.791687      19.89906 
1 1 1 4   18 27 f 178.4956 9.107929 940.4380       95.02977 978.7675       99.28192 521.5042       328.2284 182.0772 9.328549 127.9478 39.65409 54.12939       40.73658 
1 1 1 4   18 28 o 311.6271 7.461953 2855.537       136.3761 2845.219       146.3316 2923.719       376.1637 310.8931 8.032307 311.8300 20.68571 -0.9369202     22.19046 
1 1 1 4   18 29 o 24.40758 12.35714 -307.9164      88.03777 -273.3056      92.23206 -662.7040      295.2977 26.64996 13.38448 51.96466 25.75092 -25.31470      29.02161 
1 1 1 4   18 30 o 92.40201 16.98377 262.2399       88.64716 277.4124       92.44014 88.65263       312.6735 95.05054 17.21642 87.66035 36.56757 7.390190       40.41772 
1 1 1 4   18 31 o 242.3104 8.144218 1731.140       115.5725 1739.635       124.4435 1677.848       311.6885 242.8027 8.753451 234.1743 22.99110 8.628448       24.60109 
1 1 1 4   18 32 o 88.58195 18.80836 244.5086       94.68856 242.5789       99.09839 264.7546       320.9896 88.05807 19.68412 101.1391 38.72343 -13.08102      43.43925 
1 1 1 4   18 33 o 374.9083 7.530097 4140.341       165.5679 4177.554       181.1897 3952.028       407.5971 376.4296 8.207280 361.2961 19.30621 15.13342       20.97831 
1 1 1 4   18 34 o 133.7743 13.22454 537.6838       102.3977 565.6755       107.1794 244.8072       346.6876 137.1767 13.49694 100.3120 39.71360 36.86473       41.94445 
1 1 1 4   18 35 o 203.2346 9.464030 1224.608       112.4942 1170.848       117.9068 1770.147       375.5963 198.5474 10.15946 235.5822 27.71453 -37.03476      29.51795 
1 1 1 4   18 36 o 107.8254 16.19758 358.5319       99.26565 400.3854       103.8427 -85.09335      338.0792 114.1398 15.94745 76.78255 34.79881 37.35721       38.27896 
1 1 1 4   18 37 o 247.5036 8.026073 1814.856       116.3484 1752.730       122.0529 2433.248       385.0743 243.0499 8.575974 276.0118 24.02768 -32.96190      25.51229 
1 1 1 4   18 38 o 133.5407 13.17886 542.8966       101.8708 529.8564       106.2800 690.3470       357.3825 131.6121 13.98283 132.3241 41.43539 -0.7119598     43.73113 
1 1 1 4   18 39 o 149.4553 12.13540 677.0583       105.4548 672.5589       109.7151 731.6413       382.1379 148.7265 12.69986 132.7144 42.99416 16.01210       44.83061 
1 1 1 4   18 40 o 89.99522 20.31721 266.1686       104.6855 289.9477       108.7810 -31.91302      385.1438 94.01299 20.32275 79.12404 36.34575 14.88895       41.64166 
1 1 1 4   18 41 o 220.3109 9.666433 1456.776       124.5932 1439.943       130.7831 1622.082       409.8387 218.7350 10.22318 206.8382 35.03492 11.89677       36.49602 
1 1 1 4   18 42 o 113.6556 17.01438 412.9307       109.9284 423.7288       113.8837 265.5281       420.7651 114.9233 17.44405 92.35830 40.51287 22.56498       44.10881 
1 1 1 4   18 43 o 82.02237 22.00539 231.1390       108.0406 210.9233       111.9583 504.9277       412.0217 78.12488 22.93596 104.3099 42.58720 -26.18502      48.37074 
1 1 1 4   18 44 o 106.1222 18.81667 372.0768       112.8240 374.8322       117.2645 337.7479       413.9061 106.0507 19.57492 92.53871 40.39612 13.51196       44.88902 
1 1 1 4   18 45 o 172.9171 12.45609 923.1382       125.4730 948.6437       131.6130 668.7575       415.6465 174.9729 12.91666 111.5056 43.68571 63.46724       45.55526 
1 1 1 4   18 46 o 174.9037 13.19877 953.4203       134.3897 857.4053       139.8191 2118.184       486.9854 164.7216 14.62510 218.6499 39.42679 -53.92828      42.05193 
1 1 1 4   18 47 o 110.9053 21.60649 426.7353       135.4818 439.1348       140.2550 253.8095       523.7764 112.1393 22.11220 86.95862 40.76663 25.18065       46.37744 
1 1 1 4   19 0  o 1022.618 17.48427 30780.33       1048.604 29422.28       1383.420 32614.18       1607.602 998.2645 23.62968 1050.233 26.10011 -51.96893      35.20763 
1 1 1 4   19 1  o 580.6303 10.73893 9900.008       365.6884 10068.00       518.1255 9733.264       516.2028 584.9359 15.11612 575.0965 15.31849 9.839417       21.52099 
1 1 1 4   19 2  o 286.4241 8.283438 2409.742       138.9998 2565.813       177.8434 2164.732       222.8282 295.4313 10.28000 271.0072 14.06786 24.42413       17.42363 
1 1 1 4   19 3  o 102.9992 11.82859 315.7188       70.15714 390.4075       80.46198 78.86687       143.2854 114.6404 12.15233 65.98785 25.70829 48.65252       28.43581 
1 1 1 4   19 4  o 209.5871 6.797282 1290.211       83.44022 1247.881       98.62676 1396.797       156.5039 206.0396 8.178190 217.6954 12.30830 -11.65588      14.77759 
1 1 1 4   19 5  o 925.9169 11.34265 25182.09       615.9381 26173.51       909.4113 24341.87       837.1987 943.0993 16.44191 909.6434 15.69303 33.45587       22.72901 
1 1 1 4   19 6  o 995.9056 12.11306 29141.15       707.4935 29722.88       1024.057 28609.93       978.5853 1004.758 17.37849 985.8694 16.92500 18.88867       24.25835 
1 1 1 4   19 7  o 466.8098 7.968897 6395.579       218.1668 6630.191       262.2149 5867.843       393.2689 475.2131 9.408456 446.3854 15.04354 28.82776       17.74337 
1 1 1 4   19 8  f 646.1378 9.761878 12259.32       369.9210 12564.80       454.0155 11656.02       638.0417 653.9275 11.83833 628.8789 17.31590 25.04858       20.97585 
1 1 1 4   19 9  o 678.4086 12.54909 13528.54       499.2913 13199.33       669.3687 13941.45       749.6387 669.2036 17.06913 687.4434 18.61077 -18.23987      25.25303 
1 1 1 4   19 10 o 389.7496 8.404178 4459.635       192.1018 4204.870       287.4898 4665.147       258.2089 377.9258 12.99007 398.3058 11.06433 -20.37997      17.06345 
1 1 1 4   19 11 o 292.0650 10.88875 2510.164       186.1860 2272.626       224.3551 3035.645       333.6941 277.5735 13.82536 320.3468 17.83178 -42.77328      22.56353 
1 1 1 4   19 12 o 366.4871 10.13721 3949.436       217.6758 3779.386       275.3693 4232.696       355.4013 358.1664 13.13155 378.6443 16.04066 -20.47791      20.73018 
1 1 1 4   19 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   19 14 o 466.9193 10.23717 6408.428       280.3316 6474.799       375.1865 6324.545       421.7908 468.6937 13.66380 462.8667 15.55996 5.826996       20.70777 
1 1 1 4   19 15 o 292.0443 9.873551 2510.055       168.8681 2539.620       213.7742 2460.990       275.3937 293.4515 12.44963 288.2661 16.35670 5.185394       20.55565 
1 1 1 4   19 16 o 228.5082 10.16095 1538.614       135.8311 1337.641       160.1019 2054.864       256.6001 212.6987 12.89514 263.1699 16.71165 -50.47116      21.10838 
1 1 1 4   19 17 f 663.7454 12.18258 12978.34       474.2324 12897.31       650.0127 13070.55       693.4216 660.0980 16.80414 664.1354 17.81898 -4.037476      24.49275 
1 1 1 4   19 18 o 290.9745 9.208423 2492.396       156.9436 2389.009       193.1508 2693.294       269.2465 284.5432 11.59869 301.4850 15.27749 -16.94174      19.18153 
1 1 1 4   19 19 o 383.6987 7.024429 4325.075       158.0709 4274.533       180.2948 4493.014       328.6483 381.3400 8.061585 389.6803 14.40524 -8.340302      16.50758 
1 1 1 4   19 20 o 254.2546 6.230653 1898.592       92.90797 1804.041       98.90871 2607.649       270.8582 247.7120 6.814749 296.3593 15.63914 -48.64738      17.05941 
1 1 1 4   19 21 o 264.8287 6.219688 2060.053       96.60157 2064.896       104.7326 2032.452       250.0543 265.0156 6.743930 261.2533 16.40285 3.762238       17.73511 
1 1 1 4   19 22 o 78.18813 14.43019 186.6044       63.73319 210.7813       66.49699 -86.23940      223.3874 83.27971 14.11863 64.11275 28.73800 19.16695       32.01888 
1 1 1 4   19 23 o 517.4500 7.613313 7873.629       231.0429 7971.558       266.1017 7573.702       465.6935 520.4312 8.718341 504.9517 15.74457 15.47949       17.99725 
1 1 1 4   19 24 o 362.4767 6.620949 3861.174       140.7508 3979.263       157.7480 3400.078       311.7136 367.8908 7.311294 338.0927 15.76401 29.79813       17.37697 
1 1 1 4   19 25 o 215.1222 7.366172 1362.233       92.79755 1416.732       97.87775 877.7421       291.8319 219.3592 7.619694 166.7899 30.97405 52.56926       31.89752 
1 1 1 4   19 26 o 137.6895 11.31065 563.0777       90.53082 597.6306       94.44736 172.1887       317.6688 141.8567 11.44965 95.06256 37.89181 46.79417       39.58388 
1 1 1 4   19 27 o 554.0547 8.440543 9033.327       274.2670 8840.878       305.0370 9845.464       626.6269 547.8672 9.493509 574.2627 18.63044 -26.39551      20.90980 
1 1 1 4   19 28 o 24.90272 12.58507 -298.6996      88.81356 -247.4628      92.20521 -956.9734      330.4969 27.64853 13.81193 50.20771 25.23230 -22.55918      28.76523 
1 1 1 4   19 29 o 159.6704 10.46559 755.4481       97.46261 750.3041       101.9146 810.4971       333.3937 159.0381 10.99426 157.4406 36.77502 1.597443       38.38328 
1 1 1 4   19 30 o 296.0371 7.432398 2580.459       128.9383 2542.403       137.0785 2872.637       379.8216 293.7553 7.964051 307.9996 21.15557 -14.24429      22.60496 
1 1 1 4   19 31 o 297.4774 7.371706 2605.068       128.6093 2571.240       138.0676 2826.902       353.5618 295.3353 7.978551 305.6163 19.83308 -10.28101      21.37775 
1 1 1 4   19 32 o 46.72813 19.73142 9.620647       92.76775 52.01794       96.70068 -480.0210      328.6243 53.32794 21.01730 61.23249 29.65953 -7.904549      36.35127 
1 1 1 4   19 33 o 128.7328 13.34386 498.2672       99.28512 520.4623       103.7067 254.5014       343.6881 131.5255 13.64246 101.0697 39.68655 30.45580       41.96592 
1 1 1 4   19 34 o 124.8277 14.93081 472.7798       107.1407 446.6245       112.1093 748.3931       363.9245 120.9148 16.21784 145.8544 40.90055 -24.93960      43.99856 
1 1 1 4   19 35 o 122.7781 14.23404 457.4854       100.5974 484.5168       105.1524 165.6016       345.5337 126.3329 14.45206 92.78744 38.55212 33.54543       41.17193 
1 1 1 4   19 36 o 62.02726 21.75837 109.9964       97.87499 165.2858       102.2007 -501.9764      340.0159 72.26711 22.07893 60.34277 29.44094 11.92434       36.80011 
1 1 1 4   19 37 o 149.2234 12.07917 672.2352       104.8092 621.9324       109.0680 1278.883       378.7651 143.1190 13.14074 189.1257 35.45044 -46.00662      37.80758 
1 1 1 4   19 38 o 194.1077 9.597511 1125.737       108.9189 1112.435       113.4020 1284.072       391.2405 192.7768 10.06520 185.8871 37.18718 6.889694       38.52525 
1 1 1 4   19 39 o 107.4827 17.96905 367.9120       109.2743 393.4613       113.8952 72.07679       387.5618 111.1704 18.09034 84.69302 37.91613 26.47733       42.01063 
1 1 1 4   19 40 o 209.3124 9.971539 1315.497       122.0554 1273.422       127.6357 1765.367       417.3501 205.6079 10.62077 219.0543 33.55312 -13.44644      35.19393 
1 1 1 4   19 41 o 129.2236 14.84203 521.3804       110.4430 507.0476       114.9887 691.9865       396.7222 126.9205 15.78837 121.9241 43.70343 4.996460       46.46787 
1 1 1 4   19 42 o 62.61340 22.76819 119.3460       108.1509 91.89412       113.2554 403.4608       364.3507 59.03431 22.89609 98.74892 40.14849 -39.71462      46.21831 
1 1 1 4   19 43 o 142.4387 14.48990 635.7189       119.3610 594.0928       124.3435 1124.118       425.9201 136.8562 15.78064 151.6181 44.79494 -14.76187      47.49332 
1 1 1 4   19 44 o 72.03759 23.69574 180.0646       115.8606 207.3556       120.8705 -128.8253      406.6422 76.55733 24.11461 71.87704 34.34038 4.680290       41.96161 
1 1 1 4   19 45 o 68.30360 24.04619 158.4833       119.6142 154.8272       124.9757 198.3724       412.8048 67.92896 24.50661 83.77431 38.15743 -15.84534      45.34935 
1 1 1 4   19 46 o 101.8904 23.69312 372.4438       138.8943 376.7210       146.5109 334.4860       436.4576 101.5819 24.80978 89.21849 40.06639 12.36343       47.12579 
1 1 1 4   19 47 o 115.0839 21.98671 463.2686       142.9879 467.6663       149.2664 414.2666       498.2572 114.7987 22.97298 91.58125 41.79324 23.21743       47.69101 
1 1 1 4   20 0  o 671.7486 12.05656 13258.58       474.9858 13258.58       474.9858 0.000000       0.000000 671.7486 12.05656 ?        ?        0.000000       12.05656 
1 1 1 4   20 1  f 1000.668 17.09683 29480.72       1003.358 28733.59       1363.578 30362.89       1481.694 986.1321 23.57732 1013.252 24.93393 -27.11951      34.31604 
1 1 1 4   20 2  o 449.2334 8.962152 5924.428       236.1212 5712.768       306.5011 6233.431       370.3341 440.7929 11.86703 460.2527 13.73514 -19.45981      18.15160 
1 1 1 4   20 3  o 488.8799 9.420115 7017.199       270.0903 7338.238       388.2140 6716.028       376.0090 499.4591 13.26494 477.7806 13.43230 21.67853       18.87817 
1 1 1 4   20 4  o 241.9651 6.757055 1719.284       95.79335 1852.333       112.8126 1375.399       181.3673 251.1104 7.669231 215.7757 14.41465 35.33472       16.32787 
1 1 1 4   20 5  o 332.4102 6.118628 3241.975       119.2831 3201.589       152.9281 3304.717       190.6131 330.2725 7.895225 335.3311 9.702536 -5.058624      12.50895 
1 1 1 4   20 6  o 484.2342 7.016484 6881.152       199.2625 7268.432       283.4683 6502.858       280.1602 497.5012 9.715383 470.5403 10.15217 26.96085       14.05188 
1 1 1 4   20 7  o 441.7281 7.801048 5727.432       202.0964 5829.283       235.9306 5446.744       391.6646 445.5637 9.028671 429.8578 15.56167 15.70587       17.99118 
1 1 1 4   20 8  o 246.3283 6.918249 1782.170       99.84601 1789.814       106.6384 1727.834       284.3083 246.8294 7.374855 241.0499 20.29938 5.779495       21.59753 
1 1 1 4   20 9  o 542.5696 8.649228 8644.309       275.2221 8750.998       329.1158 8396.185       501.9068 545.7521 10.28260 533.5894 16.05683 12.16272       19.06708 
1 1 1 4   20 10 o 151.8968 17.72037 689.8027       154.8982 601.8436       180.9125 931.3853       299.8202 140.8322 22.67323 174.2401 30.44786 -33.40787      37.96245 
1 1 1 4   20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   20 12 o 306.9160 10.47883 2772.313       188.3413 2479.058       228.9201 3386.684       331.3417 289.8493 13.50382 338.3601 16.74937 -48.51083      21.51498 
1 1 1 4   20 13 o 345.0986 12.78119 3511.048       258.2343 3511.048       258.2343 0.000000       0.000000 345.0986 12.78119 ?        ?        0.000000       12.78119 
1 1 1 4   20 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   20 15 o 343.9363 9.494417 3480.629       191.3292 3280.307       234.3653 3880.905       331.2904 333.5414 12.00056 362.1613 15.63438 -28.61987      19.70906 
1 1 1 4   20 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   20 17 o 53.19145 22.24199 16.94323       116.0882 56.23314       135.6936 -90.32180      224.2063 61.53283 24.68446 64.29449 28.80724 -2.761654      37.93652 
1 1 1 4   20 18 o 407.0583 9.479840 4875.367       226.3123 5065.886       306.9096 4648.314       335.0460 414.1991 12.64911 396.3254 14.43871 17.87375       19.19574 
1 1 1 4   20 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   20 20 o 529.3048 8.421160 8241.071       261.4136 8555.375       323.0311 7644.643       444.9886 538.9080 10.22067 507.8814 14.95579 31.02652       18.11457 
1 1 1 4   20 21 o 75.08678 14.65105 172.5974       62.20111 172.6311       64.83240 172.2071       220.5703 74.99638 15.25994 85.41180 32.24070 -10.41542      35.66971 
1 1 1 4   20 22 o 338.5355 6.441918 3367.477       127.8998 3381.855       140.9273 3300.316       304.5783 339.1860 7.084458 333.1534 15.63208 6.032532       17.16251 
1 1 1 4   20 23 o 203.7851 7.246860 1222.464       86.47308 1230.220       91.28062 1154.603       270.0157 204.3891 7.628396 194.2664 24.22451 10.12267       25.39723 
1 1 1 4   20 24 o 79.21517 16.51512 193.2306       74.23615 176.2301       76.75666 439.4070       292.0846 75.46603 17.65779 118.4270 37.51023 -42.96099      41.45860 
1 1 1 4   20 25 o 184.2116 8.833385 1001.120       95.15405 1035.279       99.99862 673.9856       309.4614 187.2967 9.131120 144.2885 36.53821 43.00819       37.66189 
1 1 1 4   20 26 o 241.8474 11.03839 1728.943       156.1533 1677.001       175.5815 1925.459       341.5210 237.8845 12.63053 251.8903 23.38532 -14.00572      26.57825 
1 1 1 4   20 27 o 61.66220 21.12581 105.1970       92.02160 105.3556       95.79675 103.3035       331.0583 62.14914 21.54383 91.09674 37.78291 -28.94761      43.49351 
1 1 1 4   20 28 f 408.0396 7.404821 4897.442       177.2015 4911.987       196.2025 4833.075       412.7565 408.5042 8.189503 402.1307 17.54375 6.373474       19.36107 
1 1 1 4   20 29 o 115.1355 14.44975 399.6361       95.42751 385.4236       99.76720 552.4250       327.1135 112.8092 15.48813 129.8670 39.46523 -17.05778      42.39559 
1 1 1 4   20 30 o 392.5666 7.543969 4537.114       173.6856 4555.656       190.8963 4447.972       418.5655 393.2082 8.277984 384.3959 18.62208 8.812286       20.37908 
1 1 1 4   20 31 o 41.18943 18.41797 -35.52063      91.15517 -20.17051      94.43118 -245.3104      349.1015 43.64742 19.16773 72.63696 33.79719 -28.98954      38.85424 
1 1 1 4   20 32 o 106.9191 16.42295 350.0298       99.69292 370.6136       104.1106 122.8074       345.9048 110.0177 16.65602 91.81782 38.39356 18.19986       41.85078 
1 1 1 4   20 33 o 271.4207 8.044848 2174.942       127.9180 2176.090       135.5126 2165.554       387.5495 271.3800 8.524921 263.0620 25.43690 8.317993       26.82742 
1 1 1 4   20 34 o 33.33099 16.24771 -180.2979      102.9134 -209.6425      107.2676 159.3033       364.9126 32.91379 16.15794 94.26875 39.42751 -61.35496      42.60994 
1 1 1 4   20 35 o 180.0689 9.986797 965.6544       105.0536 989.2464       110.0079 721.2896       354.0469 182.1619 10.33958 140.0541 40.69440 42.10777       41.98739 
1 1 1 4   20 36 o 87.35468 19.31067 244.6046       96.29771 252.1027       99.82496 144.0921       365.4879 88.57813 19.72270 90.02722 38.62514 -1.449097      43.36918 
1 1 1 4   20 37 o 38.38953 17.98718 -90.12991      101.7271 -89.07797      105.6346 -103.5644      377.5057 39.41113 18.42150 77.12956 35.62874 -37.71843      40.10933 
1 1 1 4   20 38 o 51.90102 21.03259 47.38787       99.61332 72.07497       103.0966 -299.5386      386.4810 55.91877 21.80080 69.74052 33.36267 -13.82175      39.85402 
1 1 1 4   20 39 o 90.17976 20.54434 268.2349       106.2216 260.3006       110.3254 368.9717       393.1127 88.42913 21.48722 101.0323 41.46375 -12.60321      46.70057 
1 1 1 4   20 40 o 51.90631 21.72397 36.37354       110.8923 48.11769       115.5533 -100.4577      394.4245 54.06047 22.36283 75.40819 35.35962 -21.34772      41.83777 
1 1 1 4   20 41 o 54.78158 22.40168 57.62692       114.2287 47.83070       119.1762 168.3195       400.6079 54.34730 22.61590 86.44825 38.63644 -32.10095      44.76889 
1 1 1 4   20 42 o 228.9250 9.778125 1579.895       130.9778 1632.438       138.8618 1156.190       394.3261 232.4204 10.21220 161.1769 41.47586 71.24356       42.71459 
1 1 1 4   20 43 o 70.84913 23.61185 171.9210       114.9341 113.7587       121.1942 691.6916       362.2984 62.28374 23.80716 118.7437 41.84543 -56.45999      48.14375 
1 1 1 4   20 44 o 141.1537 15.46052 633.5627       125.8958 625.9294       132.1433 708.6127       414.3448 139.5909 16.45721 114.3148 43.93778 25.27608       46.91875 
1 1 1 4   20 45 o 113.6589 21.31349 444.5936       136.8541 505.4729       145.1833 -40.78056      409.9396 121.4902 21.14388 73.66566 34.99265 47.82452       40.88458 
1 1 1 4   20 46 o 177.5310 14.98325 1000.740       154.5472 820.9525       163.6278 2487.009       470.4643 158.1122 17.96388 248.2152 33.14599 -90.10304      37.70090 
1 1 1 4   21 0  o 379.8541 8.510734 4236.060       189.5982 4278.214       253.2106 4182.264       286.0469 381.3999 11.33268 376.9232 12.95926 4.476685       17.21546 
1 1 1 4   21 1  o 150.8021 21.41205 684.9169       184.0550 684.9169       184.0550 0.000000       0.000000 150.8021 21.41205 ?        ?        0.000000       21.41205 
1 1 1 4   21 2  o 1139.005 19.36238 38277.50       1293.406 37962.71       1803.172 38611.11       1856.289 1130.948 27.18591 1140.274 27.75784 -9.325928      38.85320 
1 1 1 4   21 3  o 627.7875 11.35049 11582.06       417.9054 12353.38       627.9789 10968.95       559.8807 647.3582 16.55413 610.1518 15.65908 37.20636       22.78697 
1 1 1 4   21 4  o 404.9701 8.480186 4815.108       201.4090 4995.724       276.7355 4611.682       293.6907 412.1258 11.46057 395.8198 12.66782 16.30597       17.08269 
1 1 1 4   21 5  o 192.4836 6.705803 1088.636       75.58421 1066.965       87.22601 1153.955       151.4349 190.4856 7.824540 197.6362 13.13961 -7.150589      15.29290 
1 1 1 4   21 6  o 370.6971 6.399168 4032.657       139.1212 4239.419       184.7076 3761.572       211.4962 379.9831 8.288386 357.6758 10.09246 22.30725       13.05967 
1 1 1 4   21 7  o 235.6283 6.914346 1630.998       95.44631 1682.925       101.6590 1244.683       277.2786 239.3320 7.250960 203.5928 23.66255 35.73927       24.74859 
1 1 1 4   21 8  o 769.6229 11.22455 17414.00       506.6375 17959.74       636.2430 16468.29       837.5454 781.0546 13.88964 746.3559 19.15009 34.69873       23.65688 
1 1 1 4   21 9  o 848.2466 12.16836 21167.09       605.3475 20967.25       725.7615 21623.98       1097.370 843.6194 14.66888 854.0049 21.92814 -10.38556      26.38218 
1 1 1 4   21 10 f 352.6113 7.209133 3650.341       149.0836 3599.314       163.2757 3906.177       365.5949 350.0927 7.952214 363.3397 17.20570 -13.24698      18.95452 
1 1 1 4   21 11 o 533.1267 9.455661 8352.964       295.6466 7814.193       427.8607 8845.263       408.9920 514.7445 14.18648 548.1224 12.72292 -33.37793      19.05594 
1 1 1 4   21 12 o 301.1631 12.63862 2675.626       222.7336 2675.626       222.7336 0.000000       0.000000 301.1631 12.63862 ?        ?        0.000000       12.63862 
1 1 1 4   21 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   21 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   21 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   21 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   21 17 o 187.8508 12.20079 1045.083       133.6891 888.8984       155.3391 1491.182       262.5290 172.6243 15.50877 222.8419 20.31067 -50.21759      25.55475 
1 1 1 4   21 18 o 92.86598 22.47621 268.2768       121.0820 120.7411       140.8135 686.8479       237.1813 70.39540 25.91839 148.3371 28.29564 -77.94168      38.37194 
1 1 1 4   21 19 o 307.1454 9.527257 2780.271       171.4103 2888.183       219.0063 2609.644       275.3875 312.6072 11.96768 296.2274 15.90980 16.37982       19.90847 
1 1 1 4   21 20 o 209.4632 11.41957 1298.266       139.7533 1142.635       167.1584 1659.658       254.7229 195.8764 14.65737 235.2877 18.61090 -39.41125      23.68975 
1 1 1 4   21 21 o 252.0887 6.772676 1869.022       100.0393 1834.864       107.0357 2104.978       281.3188 249.7109 7.316596 265.1867 18.19857 -15.47578      19.61430 
1 1 1 4   21 22 o 163.9374 8.723737 793.2797       83.57275 801.9166       88.00964 714.0416       266.5752 164.7772 9.142997 149.9286 31.32803 14.84859       32.63495 
1 1 1 4   21 23 o 255.0032 7.009921 1912.889       104.7363 1985.318       113.2047 1482.399       275.9877 259.7382 7.439195 221.3495 21.53165 38.38867       22.78055 
1 1 1 4   21 24 o 181.7335 8.829254 974.4305       93.82271 1036.627       98.37597 348.8103       312.0043 187.4382 8.975201 110.0574 38.82831 77.38077       39.85212 
1 1 1 4   21 25 o 259.4702 7.740835 1981.783       117.6630 1956.705       124.4112 2194.325       362.1857 257.7562 8.240592 269.1057 23.17420 -11.34958      24.59575 
1 1 1 4   21 26 o 93.78982 17.81592 270.4610       94.41513 277.8748       99.22515 199.5060       306.9673 94.96107 18.48185 96.07823 37.57160 -1.117165      41.87128 
1 1 1 4   21 27 o 214.3878 8.646003 1355.592       108.4861 1426.437       114.0383 680.7383       351.9668 219.8959 8.860812 143.6297 40.20365 76.26617       41.16853 
1 1 1 4   21 28 o 342.8582 7.464169 3458.781       150.0882 3429.768       161.2633 3646.620       410.3266 341.3219 8.056029 347.7969 20.20352 -6.475037      21.75044 
1 1 1 4   21 29 o 379.5906 7.477654 4241.557       166.4682 4304.257       181.7103 3914.148       415.2296 382.2574 8.105375 360.0397 19.74023 22.21762       21.33949 
1 1 1 4   21 30 o 157.1370 11.87583 735.8139       108.6341 715.8048       114.4338 918.3380       345.6216 154.7919 12.71742 166.1439 36.47240 -11.35202      38.62601 
1 1 1 4   21 31 f 197.6525 9.641548 1156.940       111.4262 1213.610       117.0550 609.8597       363.6985 202.3948 9.891397 133.6376 41.79304 68.75714       42.94762 
1 1 1 4   21 32 o 201.6754 9.813092 1205.673       115.7188 1254.318       123.0804 835.1337       339.6953 205.6157 10.23883 156.5360 37.49570 49.07968       38.86852 
1 1 1 4   21 33 o 157.3491 11.91271 740.4789       109.1155 699.6052       113.9441 1192.314       378.8430 152.6762 12.84434 187.7475 35.71060 -35.07132      37.95029 
1 1 1 4   21 34 o 106.2257 16.76690 349.4002       100.9946 408.1799       105.0630 -365.7851      366.4758 115.2450 15.97344 68.30427 32.62436 46.94071       36.32491 
1 1 1 4   21 35 o 73.44204 21.84558 172.4651       101.0211 205.4016       105.1846 -219.0459      362.6479 79.65807 21.85782 72.30304 33.90415 7.355034       40.33926 
1 1 1 4   21 36 f 205.6821 9.253034 1260.719       111.3314 1265.814       116.0987 1202.482       392.5436 205.9585 9.638361 179.6597 38.41854 26.29883       39.60912 
1 1 1 4   21 37 o 167.6168 11.26187 846.7735       110.0654 829.8603       114.5354 1050.854       397.8578 165.6816 11.86588 162.1258 41.63062 3.555832       43.28865 
1 1 1 4   21 38 o 83.34309 22.71885 232.5747       114.0675 261.7192       119.3895 -72.63562      386.3560 88.30357 22.87247 77.67144 35.93717 10.63213       42.59847 
1 1 1 4   21 39 o 54.67302 21.98242 61.32587       107.8711 112.8073       112.2431 -561.1619      390.3014 62.52768 23.11921 61.43492 30.28832 1.092762       38.10354 
1 1 1 4   21 40 o 148.3883 13.52681 679.5391       116.4259 675.8066       121.7140 719.7143       399.3243 147.5865 14.23843 123.6642 43.89890 23.92233       46.15025 
1 1 1 4   21 41 o 51.44590 22.07370 22.79697       119.3811 56.38511       125.2902 -308.2958      393.3680 56.04184 23.24358 67.06386 32.47595 -11.02201      39.93685 
1 1 1 4   21 42 o 171.5867 12.65555 907.4432       126.4585 955.9420       133.1707 462.3891       403.4124 175.8995 13.00091 100.1994 41.64591 75.70013       43.62803 
1 1 1 4   21 43 o 122.2284 17.26473 484.8455       120.3185 535.9055       126.9593 34.71719       376.9575 128.5798 17.27258 75.97873 35.27279 52.60109       39.27482 
1 1 1 4   21 44 o 54.26637 24.58227 -20.54907      168.4609 -16.93854      182.7647 -40.94436      434.3821 56.39421 25.56946 75.38947 35.87116 -18.99525      44.05153 
1 1 1 4   21 45 f 75.19961 26.43956 205.5843       144.5764 141.6812       154.5314 654.1743       409.4306 67.31306 26.55645 107.8507 43.00830 -40.53760      50.54661 
1 1 1 4   21 46 o 71.88010 25.98280 184.9125       140.5702 165.9994       148.2132 354.2343       443.4684 69.56248 26.38987 88.78966 40.08496 -19.22718      47.99197 
1 1 1 4   22 0  o 541.2665 14.88162 8634.725       471.9540 8634.725       471.9540 0.000000       0.000000 541.2665 14.88162 ?        ?        0.000000       14.88162 
1 1 1 4   22 1  o 602.3247 15.92899 10699.05       562.1963 10699.05       562.1963 0.000000       0.000000 602.3247 15.92899 ?        ?        0.000000       15.92899 
1 1 1 4   22 2  o 517.4628 9.827502 7867.080       298.2447 7396.776       379.9843 8621.675       481.3201 501.2395 12.93698 540.7805 15.19123 -39.54105      19.95342 
1 1 1 4   22 3  o 533.2235 10.02128 8354.539       313.3886 8068.174       411.0505 8752.058       484.3004 523.4166 13.40153 544.8391 15.17117 -21.42242      20.24266 
1 1 1 4   22 4  o 419.2054 7.141658 5158.622       175.5806 5198.309       210.4373 5067.692       318.5314 420.7201 8.528624 414.7702 13.11113 5.949921       15.64094 
1 1 1 4   22 5  o 362.9277 6.844822 3866.304       145.6910 4076.737       178.0690 3440.208       253.3872 372.5956 8.148919 341.6986 12.66611 30.89700       15.06105 
1 1 1 4   22 6  o 481.0883 8.255674 6797.148       232.9313 6437.743       364.6388 7044.913       302.7549 467.4445 13.31450 489.5446 10.54504 -22.10004      16.98452 
1 1 1 4   22 7  o 225.6091 6.961344 1495.656       91.99840 1543.654       98.33720 1158.941       260.4562 229.1790 7.325728 196.3022 23.06289 32.87677       24.19841 
1 1 1 4   22 8  o 462.9552 7.892408 6294.406       214.2886 6315.394       247.5283 6231.623       428.1148 463.6107 9.103761 459.3076 15.91706 4.303040       18.33661 
1 1 1 4   22 9  o 262.3921 6.754619 2022.637       103.8582 2056.188       111.4656 1801.707       286.0338 264.5286 7.191522 245.8233 20.01310 18.70534       21.26599 
1 1 1 4   22 10 o 350.2644 6.910326 3602.307       141.9532 3445.397       152.6715 4603.556       385.6602 342.5042 7.600492 394.3675 16.71240 -51.86337      18.35952 
1 1 1 4   22 11 o 480.8426 13.75938 6822.992       387.6194 6822.992       387.6194 0.000000       0.000000 480.8426 13.75938 ?        ?        0.000000       13.75938 
1 1 1 4   22 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22 14 o 227.9021 10.81235 1532.850       144.1049 1604.689       172.7118 1368.247       261.4335 232.9171 12.69153 213.3011 21.17802 19.61592       24.68974 
1 1 1 4   22 15 o 484.2273 10.16474 6902.799       288.6664 6556.353       366.7140 7467.185       468.0551 471.0822 13.28661 501.9618 15.91935 -30.87964      20.73547 
1 1 1 4   22 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   22 17 o 166.2218 13.47357 821.7773       130.2222 689.7014       151.3588 1198.096       255.4899 151.4307 17.35617 198.8485 22.29118 -47.41780      28.25125 
1 1 1 4   22 18 o 271.3463 9.898759 2171.668       157.2630 2155.538       196.3758 2200.510       262.5884 269.8826 12.44034 271.7421 16.55518 -1.859497      20.70836 
1 1 1 4   22 19 o 100.6612 22.88194 316.1524       132.0128 157.9311       155.8217 718.5131       248.4868 76.97669 27.41236 151.2229 29.07370 -74.24624      39.95895 
1 1 1 4   22 20 o 403.3788 9.869644 4794.387       233.4883 4771.655       300.5411 4828.996       370.8324 401.5735 12.77737 403.0565 15.71790 -1.483002      20.25620 
1 1 1 4   22 21 o 106.1378 23.98839 352.5962       145.7966 306.3846       171.3561 473.7747       277.4832 98.93602 28.17708 121.9064 36.19179 -22.97035      45.86713 
1 1 1 4   22 22 o 186.7223 8.087865 1027.592       88.35873 1030.042       93.23171 1005.975       276.9295 186.8923 8.528405 180.2217 27.03352 6.670593       28.34687 
1 1 1 4   22 23 o 327.2560 7.726704 3149.656       148.2970 3233.990       162.4715 2728.620       363.0258 331.4209 8.365544 301.2450 20.67322 30.17590       22.30166 
1 1 1 4   22 24 o 321.5918 7.363431 3040.832       138.8787 3041.184       149.4089 3038.591       376.6016 321.5427 7.922954 318.0767 20.29416 3.466064       21.78591 
1 1 1 4   22 25 o 113.2869 14.13768 385.9069       91.89204 392.6784       95.56104 302.7684       334.8412 114.1985 14.60184 107.0767 39.86724 7.121857       42.45716 
1 1 1 4   22 26 o 168.6451 10.33120 842.0647       101.6918 817.6834       105.9218 1129.167       363.4756 166.0800 10.93555 187.7523 34.27198 -21.67230      35.97436 
1 1 1 4   22 27 o 166.2735 10.42207 819.2019       101.1202 820.4207       105.4089 805.1323       358.1481 166.3230 10.86573 155.6928 39.24231 10.63020       40.71883 
1 1 1 4   22 28 o 158.8130 11.24748 749.6268       104.0813 726.3674       108.6296 1010.066       363.4981 156.1820 11.95027 175.1038 36.57757 -18.92175      38.48022 
1 1 1 4   22 29 o 29.39381 14.55464 -214.2233      93.65518 -215.4594      97.78458 -200.5091      325.7188 30.40044 15.02007 71.73582 33.12213 -41.33539      36.36864 
1 1 1 4   22 30 o 356.9160 7.709151 3753.506       161.3701 3797.557       176.2892 3525.798       400.8091 358.8491 8.376516 340.6602 20.15164 18.18893       21.82326 
1 1 1 4   22 31 o 148.0928 12.86933 657.0951       110.6652 664.1185       116.1101 587.4346       365.6687 148.7420 13.45563 130.8326 42.02882 17.90939       44.13021 
1 1 1 4   22 32 o 390.4097 7.944803 4497.437       181.9090 4498.045       199.9608 4494.515       438.1087 390.1823 8.738296 383.8886 19.52336 6.293671       21.38970 
1 1 1 4   22 33 f 84.89658 21.06652 230.3839       104.3897 242.3499       108.8407 92.99496       368.8029 86.99567 21.46618 89.78565 38.66431 -2.789978      44.22359 
1 1 1 4   22 34 o 79.50596 21.59286 203.9762       103.2648 218.9526       107.5293 26.31448       370.3564 82.24962 21.90272 84.63029 37.52664 -2.380676      43.45087 
1 1 1 4   22 35 o 165.4088 11.95029 824.8035       115.1462 838.4149       120.4734 681.0251       391.5503 166.5943 12.41986 130.5356 43.58296 36.05870       45.31807 
1 1 1 4   22 36 o 57.42772 22.10230 79.71032       104.9460 92.04752       109.0659 -74.39597      385.4704 59.78588 22.64788 78.64688 36.21204 -18.86100      42.71110 
1 1 1 4   22 37 o 145.1102 13.72324 645.2695       115.4024 685.3178       120.7455 222.5705       392.2784 149.4821 13.93357 93.03774 39.96785 56.44440       42.32698 
1 1 1 4   22 38 o 219.3767 10.51051 1448.243       134.8340 1520.828       143.7625 917.7335       388.6595 224.5763 10.94818 146.1526 42.68619 78.42368       44.06783 
1 1 1 4   22 39 o 107.8124 19.59844 380.8981       119.3566 373.5375       125.3994 451.7956       389.1823 106.0006 20.91454 103.7624 41.74216 2.238213       46.68860 
1 1 1 4   22 40 o 175.4257 12.08743 940.5013       123.5989 952.8867       130.4025 831.0128       387.7177 176.2125 12.70350 132.9773 43.32386 43.23524       45.14793 
1 1 1 4   22 41 o 168.6997 12.35995 874.4002       121.4386 938.2763       128.8448 366.2079       363.4225 174.5809 12.67026 94.70448 39.45840 79.87637       41.44274 
1 1 1 4   22 42 o 212.7264 10.94475 1378.294       136.0865 1355.444       144.7249 1552.742       399.8846 210.3350 11.77931 194.0049 36.48449 16.33008       38.33888 
1 1 1 4   22 43 o 104.0871 19.98891 365.7791       117.5871 411.9055       123.3460 -93.87956      389.3747 110.8000 19.70380 71.46794 33.99296 39.33205       39.29073 
1 1 1 4   22 44 o 85.48031 24.55466 267.2924       129.5880 273.9182       136.2369 204.3384       419.9385 86.06158 25.31032 83.22941 38.12763 2.832176       45.76384 
1 1 1 4   22 45 o 94.66142 30.89204 366.9927       197.0895 420.4283       213.1576 52.11209       517.4380 100.1166 32.08164 80.33289 38.47643 19.78372       50.09658 
1 1 1 4   23 0  o 717.5438 18.23686 15225.01       766.8263 15225.01       766.8263 0.000000       0.000000 717.5438 18.23686 ?        ?        0.000000       18.23686 
1 1 1 4   23 1  o 426.9660 8.826000 5355.515       221.0078 5311.708       294.1794 5412.275       334.8623 424.7455 11.82103 428.5151 13.34071 -3.769623      17.82446 
1 1 1 4   23 2  o 423.6281 9.608158 5274.009       238.7126 4914.809       305.3352 5838.724       382.8451 408.4093 12.76333 444.8419 14.69479 -36.43253      19.46380 
1 1 1 4   23 3  o 464.6985 9.288367 6345.515       253.1402 6712.418       360.0564 5986.898       355.9673 477.3163 12.87391 450.6591 13.48342 26.65720       18.64243 
1 1 1 4   23 4  f 660.0822 12.13111 12823.16       469.6229 12668.48       643.3672 12999.58       687.0799 654.7988 16.76710 663.0252 17.68539 -8.226379      24.37024 
1 1 1 4   23 5  o 663.7986 9.713552 12952.04       378.1508 13541.89       485.2860 12040.22       603.3666 678.2750 12.19948 638.4612 16.12664 39.81372       20.22118 
1 1 1 4   23 6  f 359.3348 7.035459 3791.303       148.2663 3826.933       167.5434 3662.645       318.3727 360.9566 7.914468 351.9708 15.46107 8.985870       17.36904 
1 1 1 4   23 7  o 90.77357 10.88801 245.8593       56.80867 241.3062       58.31329 330.6912       251.7042 89.85410 11.31613 106.2517 34.92467 -16.39764      36.71222 
1 1 1 4   23 8  o 473.5969 7.887397 6589.022       219.0751 6515.531       252.2291 6814.750       442.0480 470.8036 9.134924 480.1059 15.72055 -9.302307      18.18193 
1 1 1 4   23 9  o 189.3299 6.657599 1053.855       73.80929 1019.722       76.56324 1502.876       277.6955 186.2073 7.023479 223.8475 21.41344 -37.64017      22.53586 
1 1 1 4   23 10 o 331.8888 6.855741 3234.931       133.4435 3207.002       146.7194 3368.643       321.0315 330.3979 7.571811 337.1105 16.28589 -6.712616      17.96003 
1 1 1 4   23 11 o 579.1223 8.969131 9861.811       304.6290 9495.822       344.5435 11172.55       652.0330 568.0173 10.34266 613.5482 18.14043 -45.53094      20.88170 
1 1 1 4   23 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   23 13 o 448.5635 10.27179 5923.892       270.2218 6077.583       359.2950 5723.751       410.0102 453.4839 13.52460 439.4075 15.93663 14.07639       20.90194 
1 1 1 4   23 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   23 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   23 16 f 228.2380 10.93526 1539.259       145.9493 1510.955       176.4546 1600.560       259.6855 225.6957 13.39109 230.9168 19.35315 -5.221100      23.53435 
1 1 1 4   23 17 o 340.3587 9.582080 3414.387       191.0798 3404.837       242.1130 3430.160       311.1472 339.3495 12.18501 339.7063 15.65964 -0.3567505     19.84184 
1 1 1 4   23 18 o 340.8534 9.857536 3425.814       196.8476 3182.115       238.3491 3948.652       349.1153 327.9597 12.41444 364.2280 16.38546 -36.26822      20.55728 
1 1 1 4   23 19 o 516.4528 10.82910 7866.941       327.9997 7853.413       433.3462 7885.086       501.8885 514.6811 14.37049 514.7620 16.64645 -0.8087158E-01 21.99126 
1 1 1 4   23 20 o 226.2845 12.21709 1516.995       161.5324 1658.617       197.3836 1229.816       281.0752 236.2030 14.31591 200.4936 24.40631 35.70944       28.29511 
1 1 1 4   23 21 o 151.2965 18.23594 691.5916       158.5514 630.2969       182.6302 879.1523       319.4714 143.2395 22.47930 165.8286 33.99174 -22.58913      40.75240 
1 1 1 4   23 22 o 152.6656 20.72482 709.6635       180.7719 732.4996       212.8740 650.6101       342.3214 154.1116 24.36123 141.3369 39.68027 12.77469       46.56172 
1 1 1 4   23 23 o 323.0705 11.48973 3084.594       217.3529 3000.044       260.7333 3277.188       393.5155 318.0039 14.01463 330.3017 20.41399 -12.29776      24.76168 
1 1 1 4   23 24 o 396.7640 8.143417 4632.136       189.4914 4756.866       212.6956 4152.232       417.2061 401.9130 9.023520 372.2879 19.17284 29.62509       21.19014 
1 1 1 4   23 25 o 80.73877 19.83746 202.9765       93.24770 179.3825       97.73356 442.4415       311.3609 76.10950 21.14178 118.7127 38.83368 -42.60320      44.21571 
1 1 1 4   23 26 o 215.8182 8.846432 1374.626       111.7339 1346.018       117.2892 1655.338       367.4097 213.4699 9.391504 230.8397 27.69077 -17.36977      29.24002 
1 1 1 4   23 27 o 81.79189 20.49865 209.5102       98.12466 223.6321       102.0693 37.32527       356.4060 84.46128 20.75612 88.36651 38.03059 -3.905228      43.32600 
1 1 1 4   23 28 o 207.4005 9.428814 1272.326       114.3879 1250.386       120.3185 1478.573       368.8929 205.4874 10.01397 215.7902 29.95531 -10.30286      31.58481 
1 1 1 4   23 29 o 141.9411 12.23746 602.1890       100.8771 580.4501       106.0324 809.5826       327.5042 139.1320 13.15058 155.2924 36.56831 -16.16039      38.86102 
1 1 1 4   23 30 o 182.2940 10.86485 987.7905       115.6304 1037.082       122.1199 560.6411       359.4937 186.7237 11.20311 128.3478 41.71018 58.37595       43.18853 
1 1 1 4   23 31 o 216.2344 9.820916 1386.738       124.2202 1391.115       130.5213 1344.660       404.6833 216.4516 10.31147 200.0042 35.81584 16.44742       37.27064 
1 1 1 4   23 32 o 122.6401 15.36205 459.0358       108.0751 530.4232       113.8293 -193.9689      344.2718 132.0826 14.95757 72.74694 33.75057 59.33561       36.91653 
1 1 1 4   23 33 f 187.9673 10.80234 1055.590       118.5817 1038.932       124.4674 1219.332       390.2379 186.2616 11.44947 185.4699 37.17197 0.7917023      38.89532 
1 1 1 4   23 34 f 165.5168 11.90513 825.2102       114.7931 832.8785       119.9633 741.9545       395.2792 166.1011 12.40432 136.4609 43.68348 29.64020       45.41050 
1 1 1 4   23 35 o 63.30342 23.35181 111.1142       114.3980 113.0460       119.9340 91.62630       380.9311 64.16914 23.86601 86.48347 38.21750 -22.31432      45.05734 
1 1 1 4   23 36 o 179.5697 11.78251 974.7167       123.4001 972.7704       130.0583 992.2794       390.6802 179.0743 12.46156 156.2718 41.80971 22.80244       43.62732 
1 1 1 4   23 37 o 150.1988 13.55228 692.1376       118.0966 679.6363       123.9628 814.9242       388.4974 148.3960 14.42538 137.0730 43.24042 11.32301       45.58317 
1 1 1 4   23 38 o 136.0155 15.14648 577.7546       118.7759 601.0683       124.7033 349.8562       389.8910 138.4955 15.62542 97.42281 40.75119 41.07264       43.64417 
1 1 1 4   23 39 o 69.84564 23.90779 160.3558       117.8470 166.6402       123.4506 95.80828       395.6414 71.04267 24.46439 82.73729 37.55596 -11.69462      44.82138 
1 1 1 4   23 40 o 161.2361 12.94921 801.7354       121.4204 805.8884       127.5289 761.4728       397.0784 161.2445 13.61274 124.1868 43.80412 37.05763       45.87055 
1 1 1 4   23 41 o 107.8859 19.82508 388.7943       120.8173 393.8755       127.1296 341.4053       388.2417 107.9371 20.83751 92.40805 39.73040 15.52905       44.86320 
1 1 1 4   23 42 o 56.97583 23.11004 75.72778       120.3885 72.96461       126.4323 102.5743       394.0919 57.36934 23.52624 79.47593 36.60136 -22.10659      43.51027 
1 1 1 4   23 43 o 44.41076 20.63612 -70.69313      129.4724 -83.38001      135.2086 69.38337       449.2721 44.58875 20.84150 79.42239 37.39719 -34.83364      42.81259 
1 1 1 4   23 44 o 110.8067 22.71677 432.9271       142.6646 388.3350       149.2328 906.3083       486.2289 102.9189 24.97959 118.5196 46.99672 -15.60075      53.22285 
1 1 1 4   24 0  o 528.4183 10.11366 8211.615       313.4271 8408.470       440.9158 8010.531       445.6275 533.8080 14.09614 520.8951 14.60158 12.91290       20.29550 
1 1 1 4   24 1  o 316.8252 8.931865 2952.455       165.7978 2800.656       222.0240 3143.816       249.2833 308.1398 12.31053 326.3862 13.04930 -18.24640      17.93971 
1 1 1 4   24 2  o 320.9321 8.161726 3027.981       153.4946 3149.410       198.4480 2847.149       242.1714 327.0566 10.35908 310.5281 13.32858 16.52850       16.88081 
1 1 1 4   24 3  o 153.7424 9.335292 697.4153       83.77620 648.1005       90.89166 975.9006       215.9915 148.0562 10.53645 180.1445 20.82710 -32.08830      23.34063 
1 1 1 4   24 4  o 124.2739 8.772348 456.1572       63.52528 444.7968       71.53556 498.5321       138.1592 122.5700 10.03937 128.3790 18.91628 -5.809029      21.41529 
1 1 1 4   24 5  o 517.0284 8.302087 7855.312       251.7400 8120.390       307.6431 7318.117       437.9521 525.4332 9.983416 497.6262 15.02348 27.80704       18.03811 
1 1 1 4   24 6  o 274.3094 6.870286 2211.163       110.4394 2270.206       121.4410 1928.875       265.5396 277.8979 7.458002 254.5771 17.89930 23.32072       19.39090 
1 1 1 4   24 7  f 110.8862 9.685564 364.3974       62.35568 362.7308       64.00579 395.4755       276.3962 110.5949 9.975211 114.3382 36.52076 -3.743385      37.85856 
1 1 1 4   24 8  o 332.5943 7.126271 3249.410       139.0041 3285.212       153.1478 3081.999       331.1715 334.3632 7.809832 322.0260 17.60217 12.33719       19.25694 
1 1 1 4   24 9  o 332.8028 7.747652 3254.789       151.2194 3254.789       151.2194 0.000000       0.000000 332.8028 7.747652 ?        ?        0.000000       7.747652 
1 1 1 4   24 10 o 397.2415 10.10583 4647.845       235.2473 4410.282       285.8359 5146.577       414.1534 386.4679 12.62805 416.3737 16.99579 -29.90582      21.17367 
1 1 1 4   24 11 o 189.4184 6.661481 1055.224       73.88681 1054.074       76.46119 1071.445       287.1595 189.2948 6.898883 186.7775 26.99725 2.517380       27.86478 
1 1 1 4   24 12 o 76.74799 26.23400 164.6504       141.8846 184.5639       160.3528 92.82996       304.5273 81.23995 27.88559 88.11214 36.36209 -6.872192      45.82366 
1 1 1 4   24 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 17 o 410.0547 9.769894 4954.060       234.9537 4653.467       288.3165 5548.320       405.3864 396.6564 12.40907 431.9434 16.03046 -35.28702      20.27216 
1 1 1 4   24 18 o 367.8568 10.01948 3990.928       215.9583 3779.256       264.6084 4413.175       373.7274 357.3514 12.64570 384.9515 16.59279 -27.60007      20.86227 
1 1 1 4   24 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 20 o 396.1117 10.73885 4630.590       249.2442 4487.310       306.5920 4909.827       428.0101 389.2233 13.45131 405.5584 18.04008 -16.33508      22.50294 
1 1 1 4   24 21 o 63.36213 26.53358 28.22241       165.5728 27.35505       188.5717 31.14178       345.9568 67.02625 28.20771 88.09663 37.68316 -21.07038      47.07118 
1 1 1 4   24 22 o 116.3296 26.34367 425.9520       175.5386 407.0829       201.7016 484.8623       356.3927 113.2592 29.92286 124.8399 41.57794 -11.58069      51.22599 
1 1 1 4   24 23 o 159.6896 18.06931 769.8046       166.2568 739.4792       187.4456 881.6503       359.9829 155.6772 21.07098 164.2725 38.10497 -8.595276      43.54279 
1 1 1 4   24 24 o 193.3003 15.86034 1118.590       178.2225 961.3057       201.5226 1683.215       381.8221 178.1026 19.61770 232.7110 28.57569 -54.60849      34.66156 
1 1 1 4   24 25 o 115.5124 14.14958 401.7755       93.85741 374.5902       96.93187 810.0461       375.6415 111.2367 15.26006 155.5740 40.70800 -44.33727      43.47425 
1 1 1 4   24 26 o 175.0020 20.43608 935.2605       205.8009 935.2605       205.8009 0.000000       0.000000 175.0020 20.43608 ?        ?        0.000000       20.43608 
1 1 1 4   24 27 o 433.8456 8.287017 5547.909       210.8550 5543.331       238.1569 5564.516       453.5464 433.3563 9.370605 430.0418 18.02288 3.314453       20.31336 
1 1 1 4   24 28 o 81.64900 20.24387 209.6676       96.45492 264.7643       100.2161 -483.3000      355.4111 92.05892 19.18493 64.51258 31.15003 27.54634       36.58396 
1 1 1 4   24 29 o 173.8515 10.51536 897.9268       106.7131 909.4125       111.1342 762.1212       382.1434 174.8823 10.88959 147.6568 42.08682 27.22549       43.47279 
1 1 1 4   24 30 o 186.3531 10.74833 1033.008       116.9719 1013.785       122.5503 1229.852       392.1643 184.4459 11.38456 190.7787 36.37727 -6.332794      38.11711 
1 1 1 4   24 31 o 32.69960 15.96691 -180.7653      100.5922 -183.1896      104.3090 -148.5542      380.2167 33.50292 16.33725 78.78938 36.16269 -45.28646      39.68180 
1 1 1 4   24 32 o 122.2061 14.49219 455.7127       101.8473 472.4842       105.5423 228.6877       388.3088 124.3755 14.75631 98.33876 40.86456 26.03671       43.44722 
1 1 1 4   24 33 o 77.83565 22.47230 196.7544       108.2817 242.0925       113.9209 -227.4868      348.4803 86.01138 22.37457 69.98962 32.94962 16.02176       39.82836 
1 1 1 4   24 34 o 280.9116 8.308098 2343.711       136.7239 2355.495       144.4897 2242.847       422.7363 281.4160 8.765310 258.1615 28.38872 23.25452       29.71111 
1 1 1 4   24 35 o 48.60985 20.89989 8.520234       107.4376 34.55242       112.0012 -291.5338      380.2481 52.44661 21.88254 69.40719 33.17315 -16.96058      39.74045 
1 1 1 4   24 36 o 41.93279 19.45898 -79.09855      114.5406 -58.47601      120.1808 -283.4672      378.3303 44.74782 20.46060 68.81699 32.94458 -24.06918      38.78120 
1 1 1 4   24 37 o 108.3041 18.72703 379.8081       114.6476 383.3073       120.3786 345.6605       376.0461 108.3051 19.67630 97.34134 40.31118 10.96373       44.85698 
1 1 1 4   24 38 o 120.4902 17.24048 464.1583       118.3610 458.8675       123.9751 518.6390       397.8290 119.1763 18.32342 107.7256 42.57561 11.45070       46.35117 
1 1 1 4   24 39 o 62.84719 23.65737 115.8057       118.5757 94.24326       123.7657 356.8473       413.8065 60.42006 23.78806 95.71267 41.08235 -35.29261      47.47242 
1 1 1 4   24 40 o 87.88367 24.00974 273.7813       127.2345 271.0622       134.0890 298.3549       403.1063 86.94450 24.97815 90.53487 39.68502 -3.590378      46.89146 
1 1 1 4   24 41 o 103.8451 21.19352 368.9086       124.7004 399.9513       132.1238 115.7161       377.3350 107.9270 21.62787 79.43743 36.29657 28.48952       42.25169 
1 1 1 4   24 42 o 53.61719 23.00941 36.15584       129.7598 -23.66092      137.0531 553.7331       403.1484 49.35096 22.28164 102.9025 42.08284 -53.55157      47.61761 
1 1 1 4   24 43 f 79.33624 26.88301 235.0123       148.9469 227.7574       155.3462 317.6676       524.3495 78.20509 27.41362 89.20964 41.47852 -11.00455      49.71895 
1 1 1 4   24 44 o 95.30949 27.66353 352.4158       163.6884 346.0739       171.1049 420.8508       562.0746 93.65962 28.55904 91.82347 42.77827 1.836151       51.43539 
1 1 1 4   25 0  o 251.9173 8.460524 1867.529       124.8214 1843.505       152.8154 1915.688       216.3642 250.0589 10.44314 254.2797 14.56951 -4.220795      17.92567 
1 1 1 4   25 1  o 211.0385 8.571879 1311.386       105.8726 1311.386       105.8726 0.000000       0.000000 211.0385 8.571879 ?        ?        0.000000       8.571879 
1 1 1 4   25 2  o 348.2481 8.282863 3564.612       169.1686 3601.268       216.2793 3506.843       271.5139 349.6218 10.56000 344.4976 13.46457 5.124207       17.11164 
1 1 1 4   25 3  o 302.1487 6.109004 2680.539       108.2534 2573.724       132.5589 2894.401       187.5683 295.8613 7.645997 313.4432 10.21717 -17.58188      12.76134 
1 1 1 4   25 4  o 456.6785 7.595157 6128.048       203.4220 6402.387       251.7184 5611.604       345.3683 466.5682 9.199183 435.8482 13.52766 30.72000       16.35918 
1 1 1 4   25 5  o 356.9908 7.006741 3743.688       146.6978 3580.108       159.8759 4615.030       368.9883 349.0298 7.810340 394.5940 15.97757 -45.56421      17.78438 
1 1 1 4   25 6  o 241.3358 7.112403 1712.566       100.5575 1778.214       107.7788 1271.332       279.4214 245.8865 7.482620 204.8347 23.69628 41.05174       24.84962 
1 1 1 4   25 7  o 232.3023 11.56388 1594.311       157.0508 1691.825       182.6860 1318.146       307.4370 239.0748 13.07912 207.9662 25.75658 31.10858       28.88711 
1 1 1 4   25 8  o 249.4454 7.431384 1830.152       108.5953 1830.152       108.5953 0.000000       0.000000 249.4454 7.431384 ?        ?        0.000000       7.431384 
1 1 1 4   25 9  o 441.4138 10.33680 5738.262       267.5977 5630.483       332.5544 5936.238       450.7154 436.5138 13.00465 446.9429 17.22717 -10.42908      21.58463 
1 1 1 4   25 10 o 178.1281 8.234939 935.0392       85.79591 935.0392       85.79591 0.000000       0.000000 178.1281 8.234939 ?        ?        0.000000       8.234939 
1 1 1 4   25 11 o 332.3502 6.371690 3244.739       124.1941 3152.302       146.3654 3482.420       234.6999 327.4575 7.621369 343.4000 11.67061 -15.94250      13.93874 
1 1 1 4   25 12 o 171.3735 14.73463 875.9393       146.6563 676.0030       169.4357 1473.161       292.8378 149.2629 19.84681 220.3898 22.99395 -71.12683      30.37462 
1 1 1 4   25 13 o 213.9922 12.74457 1357.786       159.2216 1132.917       185.3375 1991.314       311.0862 194.6652 16.38593 257.1891 20.80159 -62.52391      26.48028 
1 1 1 4   25 14 o 179.3609 14.98269 960.0004       156.1659 928.0634       184.5739 1040.464       292.9711 175.6100 18.18415 183.0032 28.20171 -7.393158      33.55592 
1 1 1 4   25 15 o 195.2397 13.54114 1133.245       154.0901 996.0114       175.1673 1602.775       324.0064 182.3381 16.56089 229.2109 24.48141 -46.87282      29.55677 
1 1 1 4   25 16 o 636.7870 12.08727 11977.89       451.4118 11549.97       589.7627 12583.23       701.4510 623.3323 16.14630 649.3049 18.43903 -25.97260      24.50920 
1 1 1 4   25 17 o 494.3935 10.49114 7207.073       304.1907 6865.607       386.2711 7764.592       493.5699 481.4203 13.69490 510.8427 16.49608 -29.42242      21.43994 
1 1 1 4   25 18 o 138.0034 19.95644 580.5217       156.8347 496.6347       180.6293 837.4868       316.1387 126.0629 25.31168 161.5852 34.41507 -35.52233      42.72093 
1 1 1 4   25 19 o 55.44318 24.66155 -52.95924      161.2091 -179.0710      185.4371 337.2805       326.2003 51.74858 24.25891 109.7667 39.59351 -58.01809      46.43426 
1 1 1 4   25 20 o 269.9622 12.67574 2158.744       200.1301 2077.311       237.4767 2358.315       371.7630 264.1794 15.39420 279.1176 22.91211 -14.93820      27.60338 
1 1 1 4   25 21 o 124.1702 25.30126 482.4654       177.9899 399.4444       206.1050 726.0225       353.0166 112.1802 30.52167 148.7928 39.71397 -36.61266      50.08764 
1 1 1 4   25 22 o 203.4993 15.12429 1235.858       179.2142 1308.155       206.3216 1013.675       361.6933 208.9343 16.98411 177.1073 36.04924 31.82700       39.84982 
1 1 1 4   25 23 o 68.01277 27.80643 61.05832       175.9508 167.9782       200.0303 -304.5600      369.8966 82.38246 30.78585 73.61668 34.42998 8.765778       46.18650 
1 1 1 4   25 24 o 63.84285 26.59194 37.40192       164.9842 96.56309       188.4758 -156.5382      341.2488 73.23117 29.18778 76.33701 34.74005 -3.105835      45.37397 
1 1 1 4   25 25 o 225.2157 15.24143 1518.200       200.1286 1598.906       234.8431 1304.132       382.4736 230.4153 17.50975 200.9547 33.64091 29.46060       37.92495 
1 1 1 4   25 26 f 133.8762 23.48379 561.5203       177.6631 678.7813       201.9146 159.4454       373.8905 147.2210 24.22757 97.24284 40.22598 49.97820       46.95854 
1 1 1 4   25 27 f 104.8458 17.27139 338.1635       102.5063 314.6275       106.4258 640.1580       381.2240 100.6669 18.71512 136.4840 42.80346 -35.81716      46.71608 
1 1 1 4   25 28 o 313.5722 8.118893 2901.752       149.1830 2850.042       159.6885 3256.422       418.2117 310.5978 8.775265 325.8044 22.01641 -15.20657      23.70080 
1 1 1 4   25 29 o 144.1835 13.45298 625.3596       112.4457 667.5128       117.3701 154.3986       392.3150 148.9664 13.58369 96.76358 40.70223 52.20280       42.90907 
1 1 1 4   25 30 o 284.5835 8.127670 2393.950       135.5131 2426.465       143.7023 2132.817       407.2436 286.3852 8.565466 258.2802 27.29772 28.10507       28.61001 
1 1 1 4   25 31 o 102.8966 16.97928 329.5565       98.89316 296.5273       102.7922 740.3210       362.5003 96.90450 18.76507 141.1697 41.22291 -44.26517      45.29300 
1 1 1 4   25 32 o 208.5073 9.805170 1296.273       119.5663 1330.062       125.3626 956.0171       397.8155 211.0867 10.15623 157.2957 42.23692 53.79100       43.44083 
1 1 1 4   25 33 o 256.1497 8.716661 1951.353       130.7559 1936.646       138.8133 2067.120       389.4567 254.9349 9.299931 249.3252 27.06820 5.609741       28.62126 
1 1 1 4   25 34 o 50.59142 21.45068 20.96073       110.3871 31.06453       114.9334 -99.22599      396.3988 52.57497 22.06747 78.05517 36.21412 -25.48019      42.40796 
1 1 1 4   25 35 o 78.20459 23.22356 204.1980       114.2429 245.2662       119.6286 -221.3420      385.0815 85.33399 23.26791 71.70866 34.02016 13.62534       41.21610 
1 1 1 4   25 36 o 126.3713 16.82323 505.1447       121.5888 467.3507       127.9213 858.7708       391.2946 120.4744 18.71184 139.1485 43.32413 -18.67406      47.19230 
1 1 1 4   25 37 o 124.4327 16.25855 490.0339       115.8146 459.3640       120.7913 839.3922       407.6759 119.6010 17.75906 133.2493 44.47100 -13.64825      47.88584 
1 1 1 4   25 38 o 155.2661 13.26610 744.4203       119.6448 734.0836       124.9448 858.5651       415.1979 153.7364 14.01151 131.9524 44.88173 21.78398       47.01800 
1 1 1 4   25 39 o 127.9145 17.12687 526.6310       125.2581 502.1439       131.9157 751.0224       399.3282 123.8129 18.75336 121.7966 43.82349 2.016319       47.66746 
1 1 1 4   25 40 o 124.8431 18.35504 511.2284       130.3822 559.2520       138.1461 119.6458       394.4783 130.4947 18.57461 80.58582 36.93048 49.90889       41.33855 
1 1 1 4   25 41 o 68.19728 24.63728 155.9114       126.3654 139.2300       133.2406 305.1525       398.5339 66.19761 25.04242 88.76060 39.16296 -22.56300      46.48505 
1 1 1 4   25 42 o 70.78362 26.41092 172.6405       147.1051 163.5180       155.2729 252.5710       459.6155 69.95102 26.89428 85.95721 39.56480 -16.00619      47.84011 
1 1 1 4   25 43 o 109.1101 25.17969 437.1411       157.8548 421.7262       164.9239 605.4830       545.0165 105.7840 26.61116 99.41599 44.69884 6.367973       52.02058 
1 1 1 4   26 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   26 1  o 116.7705 11.73966 405.9658       79.30715 414.5795       85.27169 350.7751       215.8449 117.8940 12.52424 106.5222 31.99083 11.37176       34.35505 
1 1 1 4   26 2  o 158.2735 8.617642 738.8712       79.69035 723.8321       91.84943 784.6608       160.2689 156.4831 10.06158 161.7784 17.15293 -5.295303      19.88614 
1 1 1 4   26 3  o 270.6435 6.430568 2151.417       102.0698 2027.518       118.7089 2502.798       199.9115 262.5280 7.718432 291.1248 11.73272 -28.59683      14.04389 
1 1 1 4   26 4  o 407.4497 8.488432 4882.258       202.8393 4882.258       202.8393 0.000000       0.000000 407.4497 8.488432 ?        ?        0.000000       8.488432 
1 1 1 4   26 5  f 467.5320 9.800591 6434.894       268.7288 6749.275       386.9401 6141.979       373.4960 477.6996 13.82596 455.6353 13.99372 22.06430       19.67185 
1 1 1 4   26 6  o 563.2459 8.790866 9332.761       290.3890 9096.942       333.7399 10067.73       589.1857 555.7669 10.23917 582.0939 17.27785 -26.32697      20.08394 
1 1 1 4   26 7  o 181.9461 8.049870 975.3150       85.68516 975.3150       85.68516 0.000000       0.000000 181.9461 8.049870 ?        ?        0.000000       8.049870 
1 1 1 4   26 8  o 297.9318 6.995767 2608.491       122.2370 2580.853       130.9632 2795.398       340.5707 296.2020 7.545091 305.7433 19.08850 -9.541321      20.52558 
1 1 1 4   26 9  o 230.5936 7.039659 1564.214       95.09123 1537.693       98.97939 1882.016       342.6368 228.5912 7.392755 249.1216 23.73820 -20.53043      24.86272 
1 1 1 4   26 10 o 240.5709 7.000791 1702.433       98.66849 1674.823       102.9372 2014.768       346.2203 238.5703 7.365900 257.9449 23.13161 -19.37454      24.27608 
1 1 1 4   26 11 f 531.0027 8.593307 8297.596       267.6133 7992.370       300.8673 9453.908       585.6020 520.8560 9.849333 563.2861 17.74865 -42.43005      20.29837 
1 1 1 4   26 12 o 213.3142 13.03006 1350.282       162.2333 1207.414       191.1495 1718.266       306.7749 200.9667 16.35944 238.2513 22.21092 -37.28456      27.58544 
1 1 1 4   26 13 o 176.4634 15.18813 930.2375       155.6566 907.6200       182.2061 991.3292       299.4552 173.6034 18.16449 177.8779 29.75526 -4.274475      34.86150 
1 1 1 4   26 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   26 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   26 16 o 283.2337 11.24359 2370.949       186.3960 2277.073       221.9170 2595.832       343.4696 277.0330 13.70118 293.9423 20.04389 -16.90933      24.27921 
1 1 1 4   26 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   26 18 o 162.9559 18.33182 801.0524       172.1613 835.9631       204.0151 714.6991       320.8646 165.6715 21.50423 148.3904 36.99867 17.28114       42.79409 
1 1 1 4   26 19 o 269.9623 13.03121 2160.335       205.7093 2020.337       241.3050 2532.650       393.5147 260.3635 15.87836 289.0384 23.41458 -28.67484      28.29072 
1 1 1 4   26 20 o 423.0674 11.30158 5287.416       280.1627 5472.834       355.6020 4983.973       454.9120 429.5408 14.13517 407.9736 19.06547 21.56726       23.73384 
1 1 1 4   26 21 o 353.0453 11.40387 3685.265       235.8105 3901.371       287.9032 3244.788       411.0307 362.6478 13.56053 327.7890 21.49975 34.85880       25.41903 
1 1 1 4   26 22 o 284.2324 12.78190 2396.958       212.5234 2202.451       245.3056 2982.296       425.5429 271.6928 15.45876 313.0357 23.34738 -41.34290      28.00131 
1 1 1 4   26 23 o 275.2300 12.43474 2248.082       200.1980 2117.409       232.6278 2621.202       393.0908 266.3852 14.95021 293.1469 23.04954 -26.76169      27.47344 
1 1 1 4   26 24 o 82.99065 30.12522 186.5813       189.2233 172.9523       213.0497 237.4948       411.7801 83.66774 31.66298 105.7877 42.80162 -22.11996      53.24023 
1 1 1 4   26 25 o 76.60211 28.65823 147.2797       173.4372 158.8651       194.5021 102.3166       383.1761 80.11262 30.26778 94.32027 39.97724 -14.20765      50.14298 
1 1 1 4   26 26 o 306.5013 12.09243 2792.106       216.9418 2959.444       263.3257 2438.573       382.7467 314.7344 14.30326 281.2536 23.41623 33.48077       27.43908 
1 1 1 4   26 27 o 267.0736 13.32389 2129.292       208.0362 2178.721       244.2517 1998.691       397.0285 269.3162 15.52996 251.7532 27.32820 17.56294       31.43263 
1 1 1 4   26 28 o 139.3314 21.91903 608.1650       173.2011 571.0749       192.9059 762.3983       393.3736 133.4673 25.57518 145.9106 43.03402 -12.44333      50.06013 
1 1 1 4   26 29 o 218.0551 9.174034 1409.638       117.0593 1419.107       123.0157 1318.903       380.8038 218.6705 9.615743 198.0245 34.01444 20.64607       35.34748 
1 1 1 4   26 30 o 42.06395 18.61582 -22.34650      90.70683 -25.82549      94.52119 18.16749       322.5559 42.63083 18.92769 80.15472 35.30457 -37.52390      40.05833 
1 1 1 4   26 31 o 205.2337 9.613370 1255.133       115.3895 1299.349       121.2056 827.2914       377.0268 208.7143 9.930413 146.3769 41.83084 62.33734       42.99340 
1 1 1 4   26 32 f 164.1512 11.68906 812.4577       111.7952 848.2294       117.2663 455.7087       370.3266 167.6167 12.00861 110.5345 41.76413 57.08212       43.45630 
1 1 1 4   26 33 o 84.46884 21.79110 236.1135       108.6630 215.0610       114.0103 444.8805       359.0233 80.45156 23.00672 108.0592 41.05457 -27.60760      47.06152 
1 1 1 4   26 34 o 139.2626 14.81216 599.6433       119.1234 590.5721       124.9243 690.5694       395.5111 137.7419 15.74694 126.4677 43.77842 11.27425       46.52436 
1 1 1 4   26 35 o 72.89819 24.38055 174.7389       122.5218 164.0906       129.3036 268.3366       383.3565 71.51118 25.01457 93.26693 39.77490 -21.75575      46.98693 
1 1 1 4   26 36 o 44.43862 20.45604 -64.67979      122.8966 -97.80591      130.0240 212.8645       376.3609 43.49783 20.36612 88.22305 38.51615 -44.72522      43.56917 
1 1 1 4   26 37 o 208.9670 10.78892 1322.691       131.7751 1334.754       139.8452 1227.134       393.6053 209.5172 11.42414 169.9345 40.13803 39.58275       41.73215 
1 1 1 4   26 38 o 69.82092 23.89627 163.6871       117.7325 194.0073       122.8712 -176.2312      411.4064 74.80704 24.39017 71.74399 34.34815 3.063049       42.12690 
1 1 1 4   26 39 o 50.24118 22.09233 4.629840       125.8227 -23.31888      131.7681 293.5414       423.6544 48.77705 21.95060 89.83742 39.96855 -41.06037      45.59949 
1 1 1 4   26 40 o 96.09383 23.62284 328.8086       132.1770 310.9292       138.9568 498.7364       428.3864 92.42480 25.02555 99.53744 42.23264 -7.112640      49.09047 
1 1 1 4   26 41 o 219.4102 11.50946 1477.969       147.5845 1576.236       156.1426 654.5267       451.9944 226.3429 11.80340 106.0762 44.08486 120.2667       45.63765 
1 1 1 4   26 42 o 38.76032 19.01514 -235.3696      147.7665 -203.7535      154.7317 -563.0137      498.1110 41.35154 20.10439 65.36116 32.56475 -24.00962      38.27074 
1 1 1 4   27 0  o 270.4475 8.624476 2153.983       136.6188 2210.527       164.7635 2029.562       244.4075 273.7339 10.28146 261.1331 16.03621 12.60071       19.04910 
1 1 1 4   27 1  o 81.42293 16.61141 203.7416       76.63408 229.5356       81.60661 11.22545       222.9459 86.52739 16.68606 71.09753 30.32682 15.42986       34.61417 
1 1 1 4   27 2  o 102.8112 12.62445 316.7299       74.52473 329.0076       78.76518 211.8257       230.2350 104.7282 13.11036 90.63448 33.17939 14.09369       35.67567 
1 1 1 4   27 3  o 192.5943 17.08276 1110.208       190.9538 1110.208       190.9538 0.000000       0.000000 192.5943 17.08276 ?        ?        0.000000       17.08276 
1 1 1 4   27 4  o 425.9603 8.643115 5338.677       215.9185 5338.677       215.9185 0.000000       0.000000 425.9603 8.643115 ?        ?        0.000000       8.643115 
1 1 1 4   27 5  o 259.9987 6.362080 1985.988       97.01099 1994.246       115.3495 1966.031       179.3154 260.3293 7.563153 257.8199 11.89109 2.509430       14.09253 
1 1 1 4   27 6  o 211.5860 7.366155 1317.723       91.26733 1322.979       95.78539 1265.909       300.7162 211.9694 7.717936 203.1404 25.82409 8.829041       26.95274 
1 1 1 4   27 7  o 226.8430 7.398431 1514.480       98.29565 1584.382       104.3564 964.5751       292.6958 231.9919 7.680590 175.6757 29.45022 56.31625       30.43529 
1 1 1 4   27 8  o 240.2888 7.250816 1698.968       102.0643 1720.178       107.8446 1516.862       315.9974 241.7426 7.616169 222.9725 24.57165 18.77019       25.72493 
1 1 1 4   27 9  o 282.0095 11.09208 2349.757       183.0962 2383.625       216.1806 2263.806       344.3874 283.6350 13.03072 273.9319 21.61146 9.703125       25.23598 
1 1 1 4   27 10 o 395.7718 10.60247 4622.284       245.8732 4807.967       311.9793 4317.890       399.4445 402.9486 13.21946 380.2631 17.96185 22.68552       22.30206 
1 1 1 4   27 11 o 181.2647 8.156682 968.6578       86.48946 1011.317       92.85323 689.0577       237.7175 185.1700 8.573464 148.0789 28.40567 37.09100       29.67131 
1 1 1 4   27 12 o 358.9890 6.806649 3787.929       143.3062 3608.690       169.0647 4245.410       270.0986 350.2028 8.231570 378.8840 12.17109 -28.68118      14.69333 
1 1 1 4   27 13 o 451.3094 10.97813 6009.068       290.5717 5479.716       344.6492 7310.166       540.3312 430.0420 13.68261 494.6230 18.66013 -64.58102      23.13902 
1 1 1 4   27 14 f 395.2130 10.85151 4610.716       251.2817 4161.447       295.9294 5771.829       475.7423 374.7678 13.48602 439.5209 18.49753 -64.75305      22.89173 
1 1 1 4   27 15 o 143.2237 20.65311 626.0091       168.4739 543.8140       191.9167 902.1492       351.7664 131.9416 25.72618 166.9418 36.91031 -35.00020      44.99119 
1 1 1 4   27 16 o 185.5818 17.41185 1033.690       187.2960 1163.872       211.3011 556.4113       404.5872 196.7269 18.53252 132.8810 44.30117 63.84587       48.02133 
1 1 1 4   27 17 o 253.9514 13.44999 1913.557       199.6051 1605.862       229.3253 2875.227       405.4195 231.7406 16.99138 308.4363 22.56863 -76.69574      28.24978 
1 1 1 4   27 18 o 120.7781 26.45072 459.2035       182.1600 332.0002       209.5031 853.3380       368.7766 103.2717 31.62314 161.2701 39.34523 -57.99835      50.47841 
1 1 1 4   27 19 o 104.4379 28.03477 345.0049       175.2971 356.9643       198.2960 302.2338       375.0038 106.2388 30.32896 109.5528 41.87719 -3.314011      51.70633 
1 1 1 4   27 20 o 167.6339 18.54007 850.1110       179.2310 905.8562       211.0350 705.8359       339.5050 172.2786 21.34291 146.1680 38.91627 26.11067       44.38463 
1 1 1 4   27 21 o 122.0075 24.90815 468.2325       172.1928 522.7584       200.1363 312.8419       337.8600 128.3346 27.42312 107.2649 40.02508 21.06971       48.51840 
1 1 1 4   27 22 o 72.86899 28.62884 106.3941       178.9331 158.6196       200.0628 -102.4081      400.0298 80.98351 30.67466 85.51482 38.38417 -4.531319      49.13531 
1 1 1 4   27 23 f 142.6573 22.20005 631.4172       179.6971 499.5650       198.3695 1234.533       424.2593 124.7771 27.81758 192.0285 39.00426 -67.25140      47.90772 
1 1 1 4   27 24 o 202.4604 16.87619 1236.944       198.5641 1168.351       225.0808 1477.692       421.6760 195.6572 19.89141 212.3734 35.07906 -16.71626      40.32627 
1 1 1 4   27 25 o 128.5535 24.50694 523.4841       178.0243 495.3784       198.5403 638.7815       402.1258 123.7751 28.00680 136.0057 44.10769 -12.23068      52.24815 
1 1 1 4   27 26 o 71.29655 28.99656 83.18832       190.1258 48.96041       215.0575 205.6664       406.8119 71.52224 30.11309 101.6878 42.00209 -30.16555      51.68146 
1 1 1 4   27 27 o 178.9556 18.17437 978.9199       188.1030 796.3461       210.7486 1694.130       417.1212 159.1541 23.26595 227.3539 32.18159 -68.19981      39.71094 
1 1 1 4   27 28 o 147.8049 18.99226 675.9262       160.8323 538.4406       179.5587 1233.847       361.7128 129.4298 24.55299 191.6703 33.39082 -62.24049      41.44630 
1 1 1 4   27 29 o 159.5083 18.57034 789.0454       170.4766 896.7733       193.2898 411.7777       361.7176 169.5556 19.81069 110.4659 41.37469 59.08977       45.87296 
1 1 1 4   27 30 o 109.3871 23.90590 393.7262       149.0700 371.7778       163.4786 502.0299       363.1456 105.1347 26.52018 116.1418 41.79070 -11.00710      49.49527 
1 1 1 4   27 31 o 252.9536 8.224388 1900.105       121.8477 1910.740       128.2954 1802.213       389.2538 253.4961 8.642206 230.2067 29.50907 23.28947       30.74854 
1 1 1 4   27 32 o 79.05836 22.80920 207.1202       111.5895 211.4373       116.8243 162.1611       377.0037 79.76561 23.43218 89.28760 38.77021 -9.521988      45.30117 
1 1 1 4   27 33 o 42.67082 19.59790 -62.86795      111.9195 -30.44680      116.8188 -425.2508      390.5551 46.49376 20.81553 65.82521 31.98872 -19.33145      38.16497 
1 1 1 4   27 34 o 47.98643 20.85849 2.417378       109.3611 10.83140       114.9018 -78.56750      356.4734 49.92437 21.54068 73.91347 34.30955 -23.98910      40.51106 
1 1 1 4   27 35 f 45.21558 20.53714 -44.10710      118.5405 0.3811536      124.2216 -497.3865      396.5129 50.28608 22.03655 62.96234 30.94063 -12.67627      37.98595 
1 1 1 4   27 36 o 129.1779 16.51566 530.4849       122.2642 562.1031       128.9538 249.2395       384.5993 132.7536 16.94896 89.56055 39.02048 43.19302       42.54251 
1 1 1 4   27 37 o 67.80776 23.76830 151.0260       116.7784 140.6234       122.6833 251.3526       380.9964 66.52043 24.24059 88.16773 38.61615 -21.64730      45.59401 
1 1 1 4   27 38 o 48.83910 21.41122 4.549228       117.3789 28.29763       123.0303 -236.2811      391.7874 52.17458 22.39782 67.78535 32.72413 -15.61076      39.65515 
1 1 1 4   27 39 o 123.9240 18.80952 507.7454       132.4158 441.6934       139.1427 1141.746       431.0844 113.3693 21.71778 148.0136 45.36908 -34.64429      50.29926 
1 1 1 4   27 40 o 98.29530 23.81365 347.0502       135.8180 370.9962       142.2317 99.35407       457.4451 101.3889 24.24725 80.69205 37.91399 20.69688       45.00444 
1 1 1 4   27 41 o 56.63470 23.97403 59.09941       137.5108 83.93341       142.7859 -258.4925      510.6186 59.82093 24.81243 72.22537 35.41509 -12.40445      43.24217 
1 1 1 4   27 42 o 108.1584 24.39300 426.8965       151.0300 369.6268       156.9111 1148.214       556.8707 98.48038 26.56243 123.8612 49.89514 -25.38085      56.52510 
1 1 1 4   28 0  o 385.4508 15.39383 4413.882       347.2896 0.000000       0.000000 4413.882       347.2896 ?        ?        385.4508 15.39383 0.000000       15.39383 
1 1 1 4   28 1  o 354.8954 10.05740 3714.542       209.1214 3396.796       264.2804 4246.688       342.0111 338.6257 13.33350 378.0472 15.45826 -39.42151      20.41422 
1 1 1 4   28 2  o 266.2530 8.666389 2088.608       135.1463 2056.128       154.4356 2194.811       279.2594 263.9673 9.993826 270.9712 17.66889 -7.003876      20.29941 
1 1 1 4   28 3  o 247.6227 6.929764 1803.690       100.5385 1858.459       118.9520 1666.713       188.1166 251.2164 8.084238 236.9558 13.59363 14.26057       15.81587 
1 1 1 4   28 4  o 333.7705 7.975327 3277.015       156.1158 3277.015       156.1158 0.000000       0.000000 333.7705 7.975327 ?        ?        0.000000       7.975327 
1 1 1 4   28 5  o 269.0434 7.227926 2129.637       113.9444 2054.169       121.3157 2694.642       331.9427 264.1522 7.839585 299.8919 18.97053 -35.73972      20.52657 
1 1 1 4   28 6  o 154.1614 9.120146 702.2382       82.08860 728.0381       85.87941 429.1982       279.3782 156.9444 9.372937 116.8869 36.64034 40.05747       37.82018 
1 1 1 4   28 7  o 200.2324 7.747765 1181.003       90.81154 1155.646       94.92001 1455.041       312.0437 198.0151 8.191202 218.1023 24.83724 -20.08716      26.15310 
1 1 1 4   28 8  o 369.1331 7.495048 4007.035       162.2587 4108.754       182.2032 3617.223       356.6821 373.6665 8.314216 348.0941 17.52806 25.57236       19.39997 
1 1 1 4   28 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   28 10 o 130.8646 9.625384 507.2364       73.35699 512.4971       75.51157 418.9763       309.2938 131.5127 9.862114 116.7102 38.72928 14.80251       39.96522 
1 1 1 4   28 11 o 285.7161 10.02894 2408.913       167.7900 2461.080       237.4510 2356.885       237.1312 287.9216 14.10500 281.6724 14.40251 6.249207       20.15895 
1 1 1 4   28 12 o 279.1674 6.819762 2290.682       111.6566 2323.177       127.7092 2185.251       230.0399 280.9379 7.758490 271.1761 14.51734 9.761810       16.46048 
1 1 1 4   28 13 o 93.47799 30.25686 262.8769       189.2802 201.1111       213.9955 484.8960       405.7194 87.75312 32.00930 126.6713 44.30986 -38.91818      54.66223 
1 1 1 4   28 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   28 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   28 16 o 238.9364 14.09197 1697.024       196.5948 1718.815       225.2290 1627.296       402.8914 239.9816 16.09587 228.2453 30.89002 11.73630       34.83204 
1 1 1 4   28 17 o 188.7206 17.96911 1071.674       196.4850 1257.634       223.0488 427.4740       415.1457 204.3285 18.82465 121.8766 44.56364 82.45186       48.37650 
1 1 1 4   28 18 o 197.7552 16.41042 1172.155       188.6136 1108.365       217.9521 1362.408       376.4003 191.3450 19.70331 207.5559 31.94466 -16.21088      37.53241 
1 1 1 4   28 19 o 93.02744 30.07312 263.6715       187.0243 320.7052       213.6293 76.51878       386.9839 101.5045 32.07043 94.36240 40.09251 7.142059       51.34123 
1 1 1 4   28 20 o 210.9679 16.16244 1334.760       198.4514 1321.270       227.2221 1378.139       407.4656 209.1052 18.72633 206.5437 34.87863 2.561508       39.58780 
1 1 1 4   28 21 f 353.9907 11.75661 3714.976       243.7370 3623.950       288.2094 3943.561       456.7206 348.7839 14.11886 360.0775 21.72849 -11.29364      25.91273 
1 1 1 4   28 22 o 102.4933 28.20068 337.4275       174.8167 436.7300       195.8464 -51.89807      387.7857 116.2062 28.86625 86.17693 38.29551 30.02926       47.95629 
1 1 1 4   28 23 o 198.9986 17.23504 1197.436       199.1656 1071.670       227.3994 1611.662       412.6919 186.7551 21.13276 223.3620 32.45290 -36.60689      38.72705 
1 1 1 4   28 24 o 132.0578 23.98490 550.7188       178.9202 674.5344       200.8603 75.02880       393.7026 146.3744 24.24604 93.01673 40.00069 53.35764       46.77527 
1 1 1 4   28 25 o 144.9882 23.94072 663.3277       196.4743 704.5010       229.7610 551.3046       378.9848 147.9680 27.48797 126.9227 42.88248 21.04529       50.93620 
1 1 1 4   28 26 f 142.1627 23.40211 639.3923       188.3320 517.3628       209.6545 1149.434       428.6222 125.2791 29.09374 179.9962 41.45842 -54.71702      50.64826 
1 1 1 4   28 27 o 142.7958 21.83752 642.7760       177.0793 740.8423       196.7368 224.3000       406.4067 153.1410 22.58190 100.4986 41.78772 52.64239       47.49900 
1 1 1 4   28 28 o 53.24715 24.31260 -82.03131      168.9140 -90.00708      185.7640 -43.95376      405.8913 55.61758 25.43344 84.40400 38.20350 -28.78642      45.89518 
1 1 1 4   28 29 o 47.47673 22.07250 -107.0481      148.4289 -226.4813      162.6617 487.2216       362.8396 43.60780 21.06038 114.5673 41.69694 -70.95955      46.71375 
1 1 1 4   28 30 o 62.61235 25.59321 71.80988       149.0182 93.76919       162.4328 -44.90600      374.4805 66.66360 26.91438 79.38556 36.22941 -12.72196      45.13262 
1 1 1 4   28 31 f 129.5453 24.33618 559.6708       178.1077 573.1135       202.2875 513.3086       375.6708 129.0068 27.57285 113.4363 42.22937 15.57053       50.43394 
1 1 1 4   28 32 o 172.0071 18.87331 938.7452       187.2672 868.7141       213.4214 1173.096       390.4140 162.5054 23.03845 172.6494 39.42600 -10.14403      45.66377 
1 1 1 4   28 33 o 123.4477 15.54488 476.9761       110.0537 503.2165       114.9301 187.2851       381.8705 126.7074 15.80910 88.60638 38.73787 38.10098       41.83958 
1 1 1 4   28 34 o 85.46812 21.24601 246.2012       106.0377 246.1359       111.2128 246.8547       351.7022 85.09899 22.09195 89.30048 38.09080 -4.201492      44.03366 
1 1 1 4   28 35 o 107.3626 19.40227 379.1110       117.6723 371.3188       123.1707 460.5886       398.2874 105.5006 20.64638 102.7377 41.89932 2.762970       46.71002 
1 1 1 4   28 36 o 71.62867 22.87209 174.7814       108.4150 168.3724       113.0582 248.0343       382.2255 70.56271 23.41558 88.14204 38.63963 -17.57932      45.18086 
1 1 1 4   28 37 o 79.76266 23.06334 223.2523       113.9729 221.2697       119.2932 244.0035       385.9433 79.16592 23.78450 86.78687 38.40432 -7.620949      45.17294 
1 1 1 4   28 38 o 83.64898 23.08439 248.0929       116.9425 225.1009       121.5871 531.9027       427.1814 79.35031 24.04979 101.6956 42.60503 -22.34525      48.92424 
1 1 1 4   28 39 o 75.49533 25.42317 205.4451       133.2058 239.9998       139.3955 -157.9329      452.0374 80.67245 25.95266 72.53214 35.04874 8.140312       43.61140 
1 1 1 4   28 40 o 70.66811 25.91446 174.1628       140.5424 248.9401       146.5525 -681.8355      495.8437 81.35078 26.64421 63.17057 31.62731 18.18021       41.35457 
1 1 1 4   28 41 o 111.2869 22.98880 440.6613       145.0734 338.3829       150.5052 1781.402       544.9189 94.50102 26.23031 171.8445 50.64075 -77.34349      57.03082 
1 1 1 4   29 0  o 147.6605 11.64706 647.7159       100.0467 652.9471       107.2617 612.7096       277.4736 148.1218 12.46288 137.8335 34.42888 10.28831       36.61518 
1 1 1 4   29 1  o 148.5886 11.10719 655.0785       96.09186 565.9272       101.9569 1363.770       287.4627 137.7734 12.76338 211.4727 23.57866 -73.69933      26.81151 
1 1 1 4   29 2  o 194.1311 8.980338 1112.030       101.9671 1160.856       109.6528 799.9076       277.2419 198.2900 9.456314 158.9475 30.85380 39.34245       32.27041 
1 1 1 4   29 3  o 137.3170 10.54688 559.2963       84.28716 514.6094       94.28217 737.1705       188.1031 131.3902 12.38131 155.4489 21.18339 -24.05870      24.53636 
1 1 1 4   29 4  o 221.8369 7.995741 1449.668       103.8561 1400.792       109.7970 1865.002       320.0685 217.9812 8.605482 248.1477 22.22807 -30.16653      23.83572 
1 1 1 4   29 5  o 161.4911 16.44208 782.9841       153.5547 640.7310       175.4695 1248.164       317.3082 144.7096 21.31299 200.7490 27.68769 -56.03946      34.94069 
1 1 1 4   29 6  o 396.6757 7.673556 4628.038       178.5183 4689.465       202.8426 4417.003       375.9704 399.1347 8.665410 385.0314 16.68936 14.10330       18.80489 
1 1 1 4   29 7  o 172.2874 8.806505 876.1086       88.68794 872.2711       93.06198 914.0770       292.7242 171.8487 9.267984 170.3598 30.41420 1.488922       31.79496 
1 1 1 4   29 8  o 37.10279 16.74523 -39.76632      77.31998 -67.65508      79.90838 369.9186       306.2687 35.11019 16.27918 111.6546 38.53003 -76.54445      41.82792 
1 1 1 4   29 9  o 362.2004 17.86280 3917.938       378.2746 0.000000       0.000000 3917.938       378.2746 ?        ?        362.2004 17.86280 0.000000       17.86280 
1 1 1 4   29 10 o 220.5735 15.42794 1450.520       198.3192 1501.392       237.0374 1331.820       362.0774 223.7119 18.22438 206.2962 30.87461 17.41571       35.85205 
1 1 1 4   29 11 o 267.0322 8.842946 2101.444       138.2967 2164.687       151.6415 1788.824       337.1473 270.9120 9.559179 242.4191 24.02977 28.49286       25.86132 
1 1 1 4   29 12 o 431.4604 9.817162 5485.363       248.4148 4772.433       337.8922 6323.980       366.4682 401.0867 14.38777 462.0718 13.53770 -60.98514      19.75543 
1 1 1 4   29 13 o 263.5352 7.490806 2044.059       115.6583 2044.059       115.6583 0.000000       0.000000 263.5352 7.490806 ?        ?        0.000000       7.490806 
1 1 1 4   29 14 o 322.0884 9.678586 3059.771       182.6184 3374.072       286.1413 2843.773       237.2093 337.0472 14.50968 309.7534 13.08714 27.29379       19.53980 
1 1 1 4   29 15 o 292.8340 12.13447 2539.036       207.9462 2269.752       233.2601 3581.618       458.9763 276.2783 14.44623 343.9026 22.88668 -67.62424      27.06462 
1 1 1 4   29 16 o 237.0614 13.91066 1671.903       192.5512 1426.238       219.3360 2497.500       402.0892 218.0120 17.29619 286.1212 24.18833 -68.10921      29.73606 
1 1 1 4   29 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   29 18 o 189.7549 18.22443 1087.732       200.3232 1027.557       226.0775 1307.626       432.1700 183.3616 21.42665 199.3220 38.36216 -15.96036      43.94037 
1 1 1 4   29 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   29 20 o 242.2420 14.66708 1754.618       207.3978 1980.269       243.0609 1150.430       397.7245 256.8608 16.21770 185.7845 37.79048 71.07639       41.12340 
1 1 1 4   29 21 o 49.54240 23.20220 -154.4285      168.9408 -36.24808      188.7094 -631.4968      379.1500 61.05774 26.94397 63.15795 30.87368 -2.100208      40.97758 
1 1 1 4   29 22 o 228.1326 15.12380 1561.725       201.2056 1692.755       233.0268 1177.832       398.8658 236.8976 16.88303 187.1758 37.64110 49.72177       41.25396 
1 1 1 4   29 23 o 126.8895 24.51057 511.5729       175.7987 562.3234       196.6876 309.9930       391.9948 132.5197 26.23601 107.9933 42.39033 24.52639       49.85246 
1 1 1 4   29 24 o 161.8883 21.67580 815.4875       200.6312 767.7669       227.7822 980.6281       423.7345 155.1371 25.95123 165.4608 43.20631 -10.32372      50.40090 
1 1 1 4   29 25 o 49.69723 23.48231 -181.6529      179.9711 -164.4554      198.5098 -261.0401      426.5043 53.90897 25.21596 79.15155 37.00299 -25.24258      44.77796 
1 1 1 4   29 26 o 94.31205 28.84563 292.4662       174.3830 267.9726       193.2897 399.6143       404.2723 91.39424 30.62341 111.8286 43.28935 -20.43433      53.02604 
1 1 1 4   29 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   29 28 o 134.9917 21.31154 583.9302       163.1302 571.2524       180.3503 640.9692       382.5438 131.9437 24.19801 127.3820 43.08320 4.561691       49.41362 
1 1 1 4   29 29 o 93.30177 26.81972 296.8509       154.5482 225.9113       172.7064 581.9921       346.2534 83.21574 28.92241 121.4268 40.98895 -38.21104      50.16572 
1 1 1 4   29 30 o 77.81722 29.02678 184.7045       177.6622 201.8107       200.9780 123.5444       380.0190 81.13466 30.74181 87.10262 38.34431 -5.967957      49.14616 
1 1 1 4   29 31 o 77.12901 28.62306 184.9569       172.3324 298.2221       197.7357 -172.8579      351.4521 91.86478 30.97506 70.36514 33.11505 21.49963       45.34380 
1 1 1 4   29 32 o 193.3019 15.30554 1159.341       172.0991 1144.285       194.3410 1214.057       370.4717 190.3780 17.60530 176.7914 36.92393 13.58661       40.90627 
1 1 1 4   29 33 o 133.2800 21.11103 587.1486       159.5233 440.7231       176.8117 1227.974       369.8900 110.9100 27.35567 175.8090 37.04481 -64.89898      46.05052 
1 1 1 4   29 34 o 58.70758 25.66190 23.08063       167.5159 -40.37949      184.1139 328.2021       403.7128 56.24986 25.56691 94.52115 40.57468 -38.27129      47.95803 
1 1 1 4   29 35 o 55.60672 22.51354 67.28310       114.0152 76.15604       119.0921 -30.17917      394.7001 57.38704 23.08916 75.94694 35.53470 -18.55989      42.37717 
1 1 1 4   29 36 o 47.46280 21.17349 -14.59199      119.7289 0.3665369      125.4278 -168.0697      401.7650 49.83553 21.98021 70.67136 33.86361 -20.83583      40.37169 
1 1 1 4   29 37 o 63.97171 24.06109 127.4206       122.6026 162.0008       128.3992 -229.8314      412.7011 69.24442 24.85787 68.78566 33.29890 0.4587631      41.55394 
1 1 1 4   29 38 o 40.65341 19.29612 -112.4510      124.1760 -120.6901      130.0983 -28.08527      416.3068 41.30837 19.64821 74.71310 35.42424 -33.40474      40.50838 
1 1 1 4   29 39 o 94.20721 23.05801 317.6915       126.3465 340.6386       131.2802 29.49233       465.2453 97.47552 23.28454 77.90289 37.08308 19.57263       43.78727 
1 1 1 4   29 40 o 49.03975 22.03077 -13.13782      132.0915 -21.36155      136.8409 99.20232       505.7652 49.12775 22.21468 80.87826 38.54567 -31.75051      44.48888 
1 1 1 4   30 0  o 349.9970 9.279720 3610.458       190.3121 3610.458       190.3121 0.000000       0.000000 349.9970 9.279720 ?        ?        0.000000       9.279720 
1 1 1 4   30 1  o 561.6579 15.98346 9378.709       525.9584 9378.709       525.9584 0.000000       0.000000 561.6579 15.98346 ?        ?        0.000000       15.98346 
1 1 1 4   30 2  o 242.9874 10.03313 1743.180       142.6709 1780.497       160.2251 1600.321       313.4942 245.3824 11.16286 229.2482 23.65636 16.13422       26.15785 
1 1 1 4   30 3  o 249.1844 7.884250 1828.375       115.0760 1870.481       133.8418 1709.005       225.3540 251.8717 9.075539 239.3058 16.15150 12.56589       18.52664 
1 1 1 4   30 4  o 325.5837 8.616262 3122.345       164.3805 3122.345       164.3805 0.000000       0.000000 325.5837 8.616262 ?        ?        0.000000       8.616262 
1 1 1 4   30 5  o 327.5159 7.846888 3155.280       150.7233 3123.284       162.7280 3348.443       399.8354 325.6492 8.527776 333.7853 20.52431 -8.136139      22.22545 
1 1 1 4   30 6  o 85.51102 37.51091 -39.69027      360.7536 0.000000       0.000000 -39.69027      360.7536 ?        ?        85.51102 37.51091 0.000000       37.51091 
1 1 1 4   30 7  o 311.6044 21.03340 2923.066       382.1304 0.000000       0.000000 2923.066       382.1304 ?        ?        311.6044 21.03340 0.000000       21.03340 
1 1 1 4   30 8  o 313.0219 9.186943 2887.908       168.4714 2747.948       184.6307 3584.104       411.7824 305.1291 10.33229 345.4292 20.41736 -40.30017      22.88285 
1 1 1 4   30 9  o 337.0767 11.79811 3359.393       232.8743 3049.887       275.0721 4142.470       437.5364 320.4258 14.67652 371.5223 20.15618 -51.09650      24.93335 
1 1 1 4   30 10 o 214.0448 8.430252 1350.467       105.6199 1271.200       109.9140 2305.878       381.5954 207.5748 9.050506 275.4664 23.85512 -67.89159      25.51428 
1 1 1 4   30 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   30 12 o 251.4782 7.268266 1861.309       107.0843 1854.021       119.6157 1890.725       240.3189 250.8678 8.140821 251.5983 16.37555 -0.7304840     18.28747 
1 1 1 4   30 13 o 350.2265 6.832781 3606.243       140.3450 3437.760       162.5340 4100.035       278.2520 341.7650 8.108974 372.0118 12.77249 -30.24673      15.12918 
1 1 1 4   30 14 o 288.2751 12.72689 2464.832       214.6387 2175.259       243.7331 3465.170       453.0111 270.0400 15.45444 337.8103 23.00298 -67.77026      27.71240 
1 1 1 4   30 15 o 186.4144 16.63016 1044.163       179.9065 812.0694       202.6102 1909.150       391.1421 162.7370 21.77468 248.2188 27.32009 -85.48177      34.93600 
1 1 1 4   30 16 o 152.9918 20.92766 717.7576       182.8590 567.0279       203.9034 1336.987       413.2863 133.8023 26.91768 202.7673 36.07616 -68.96500      45.01168 
1 1 1 4   30 17 o 68.02800 28.10827 54.86953       182.2700 21.64754       206.2282 173.4498       389.6203 68.62769 29.21703 99.96198 41.17868 -31.33430      50.49078 
1 1 1 4   30 18 o 90.16423 31.16782 239.8173       200.4420 218.3937       229.4959 308.7240       411.5847 89.81167 33.08458 110.4286 43.40939 -20.61689      54.57989 
1 1 1 4   30 19 f 167.6562 21.12394 865.0309       203.1033 869.6871       232.7147 850.1473       416.0626 166.7973 24.52075 156.0695 43.72058 10.72781       50.12740 
1 1 1 4   30 20 o 121.8268 28.71029 481.5422       201.7480 440.5899       235.4813 594.5554       391.1845 115.6781 33.05926 132.0838 43.54494 -16.40565      54.67244 
1 1 1 4   30 21 o 164.8031 19.33753 832.2410       183.3519 661.5750       205.8097 1488.720       403.6480 144.5141 25.19889 213.4685 33.33052 -68.95442      41.78407 
1 1 1 4   30 22 o 60.19401 26.06457 -3.216790      169.4279 -23.10910      187.3444 86.11617       397.0123 61.53015 27.01024 93.39373 40.16572 -31.86358      48.40287 
1 1 1 4   30 23 o 220.6277 16.02662 1471.738       205.9592 1423.510       234.6085 1633.822       430.0919 215.7882 18.72323 221.5573 34.19938 -5.769089      38.98919 
1 1 1 4   30 24 o 68.68201 27.69769 87.17555       171.8093 172.7598       189.1607 -316.1743      410.6529 79.94154 29.92470 75.22196 35.52130 4.719574       46.44621 
1 1 1 4   30 25 o 225.5291 14.48682 1537.755       190.6001 1500.242       214.3107 1679.702       416.8847 221.7138 16.60221 222.8650 32.88159 -1.151230      36.83521 
1 1 1 4   30 26 f 68.72562 28.07258 87.80480       179.1365 -18.75064      201.9239 481.5858       388.1747 62.76855 27.77717 115.1542 42.91518 -52.38562      51.12029 
1 1 1 4   30 27 o 175.5409 17.36225 956.5893       176.4066 1010.543       196.2609 729.6663       402.4957 179.5550 18.92155 133.9063 44.17110 45.64870       48.05321 
1 1 1 4   30 28 o 57.04313 24.82553 6.836274       155.3120 48.28255       171.9436 -176.8482      361.9758 63.19504 26.78213 72.24186 33.87458 -9.046818      43.18298 
1 1 1 4   30 29 o 64.71706 27.15401 65.54607       173.9260 160.8717       200.5299 -223.9162      349.4381 76.69238 30.25336 68.60104 32.50531 8.091347       44.40564 
1 1 1 4   30 30 o 109.9946 28.18103 427.6180       182.5939 390.1783       206.7414 560.3909       389.3285 103.3317 31.36917 115.1525 42.96621 -11.82073      53.19887 
1 1 1 4   30 31 o 138.4229 20.99802 627.6743       165.1223 613.1956       184.0281 687.4788       374.0119 134.5700 24.20766 124.5826 42.59292 9.987427       48.99151 
1 1 1 4   30 32 o 96.51987 27.28946 335.2199       161.3204 452.4545       180.9453 -118.9993      356.1656 112.1020 27.68774 71.09706 33.42104 41.00498       43.40019 
1 1 1 4   30 33 f 147.0792 21.60567 720.9881       180.8160 861.6175       206.7357 263.2772       372.9693 160.0460 22.65802 89.86263 38.79104 70.18333       44.92361 
1 1 1 4   30 34 o 251.7269 14.07925 1966.337       207.0264 2063.846       228.0026 1508.357       494.1315 256.7395 15.21064 174.7229 47.14146 82.01662       49.53465 
1 1 1 4   30 35 o 49.17180 22.74701 -70.57474      154.6942 -51.39840      165.4867 -203.3745      435.4909 52.14381 23.90495 71.78822 34.61787 -19.64440      42.06951 
1 1 1 4   30 36 o 49.02493 22.83289 -82.26775      159.9452 -64.44999      176.5825 -163.6807      377.4574 52.63520 24.33293 68.33598 32.76540 -15.70078      40.81254 
1 1 1 4   30 37 o 64.92420 26.78389 109.6871       165.1507 76.61058       181.5641 268.2159       397.4882 63.33331 27.19896 86.23274 38.51670 -22.89943      47.15208 
1 1 1 4   30 38 o 156.9838 15.76346 790.4080       143.1678 790.3021       151.1431 791.3334       446.6409 156.1134 16.77077 114.0246 45.09725 42.08883       48.11466 
1 1 1 4   30 39 o 43.81859 20.76951 -113.9639      142.8920 -96.57038      150.6953 -268.9851      449.8852 46.17662 21.71675 68.44511 33.49475 -22.26849      39.91886 
1 1 1 4   31 0  o 361.1106 12.48522 3858.697       264.0177 3537.300       324.0438 4493.362       455.3607 344.6960 16.07365 386.9834 20.13301 -42.28735      25.76238 
1 1 1 4   31 1  o 400.3005 18.83482 4793.702       440.9391 0.000000       0.000000 4793.702       440.9391 ?        ?        400.3005 18.83482 0.000000       18.83482 
1 1 1 4   31 2  o 372.3445 11.49667 4096.695       250.7535 4080.216       316.2187 4124.613       411.5743 370.7393 14.57186 371.1936 18.96879 -0.4542847     23.91975 
1 1 1 4   31 3  o 253.8398 9.806155 1901.556       145.7107 1901.556       145.7107 0.000000       0.000000 253.8398 9.806155 ?        ?        0.000000       9.806155 
1 1 1 4   31 4  o 361.1820 9.531000 3845.875       201.7137 3498.916       229.3582 5030.528       423.8095 344.0981 11.38097 410.5519 17.64278 -66.45380      20.99510 
1 1 1 4   31 5  o 424.6222 8.175987 5305.510       203.6073 5089.424       220.7551 6536.536       526.9046 415.7228 9.054331 467.2861 19.26776 -51.56332      21.28914 
1 1 1 4   31 6  o 203.4012 9.784764 1222.018       116.3801 1224.026       121.2103 1198.307       416.4105 203.5070 10.18810 192.1446 38.29724 11.36237       39.62923 
1 1 1 4   31 7  o 246.5434 8.608429 1791.526       124.2799 1860.409       131.4414 1210.573       381.7227 251.1949 8.936417 194.6849 34.70510 56.50999       35.83718 
1 1 1 4   31 8  o 77.88578 19.77874 188.5216       90.49940 231.1777       93.32992 -482.8951      370.2765 86.33912 18.95239 67.39798 32.35153 18.94114       37.49419 
1 1 1 4   31 9  o 310.0878 7.987919 2831.368       145.1467 2947.967       156.4597 2111.441       388.7770 316.3363 8.440946 262.5505 25.57227 53.78583       26.92936 
1 1 1 4   31 10 f 195.6116 8.756367 1129.149       100.1998 1113.842       104.0202 1326.131       373.1501 194.2211 9.157889 204.7224 32.13631 -10.50128      33.41571 
1 1 1 4   31 11 o 214.6101 8.185039 1357.875       102.8311 1332.907       106.6303 1689.650       388.6956 212.5697 8.570773 232.7600 29.10881 -20.19028      30.34437 
1 1 1 4   31 12 o 461.1094 8.396555 6261.794       227.0679 6255.102       251.4064 6291.423       528.9995 460.6369 9.306087 457.3606 19.76846 3.276306       21.84937 
1 1 1 4   31 13 o 309.3922 7.191248 2816.218       130.4861 2927.061       147.6067 2419.822       279.1362 315.2008 7.991318 284.2467 16.81961 30.95416       18.62151 
1 1 1 4   31 14 o 78.66587 28.64016 163.4977       171.2019 255.0933       193.4149 -167.9752      367.9395 91.97959 30.62965 78.83131 35.95157 13.14828       47.23019 
1 1 1 4   31 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   31 16 f 208.3771 15.96041 1304.898       193.5648 1300.499       220.3865 1319.743       404.8492 207.2340 18.32171 200.4633 35.74683 6.770645       40.16866 
1 1 1 4   31 17 f 257.2494 14.97659 1981.316       224.9757 2071.135       259.1201 1706.280       453.4310 262.2922 16.93529 228.5820 34.93048 33.71019       38.81936 
1 1 1 4   31 18 o 121.5680 27.86822 477.4971       194.4375 358.9079       218.5877 926.9741       425.5562 105.3622 32.30870 162.3723 43.72184 -57.01008      54.36406 
1 1 1 4   31 19 o 307.1004 13.45884 2813.886       241.8147 2745.625       290.1609 2969.084       437.5166 302.0734 16.44054 309.6101 24.28944 -7.536743      29.33033 
1 1 1 4   31 20 o 93.59460 28.92864 279.4105       174.8221 301.7961       204.5499 218.7459       336.7302 97.38469 31.44797 97.28070 38.93289 0.1039886      50.04743 
1 1 1 4   31 21 o 319.3515 12.34674 3040.076       230.8091 3155.356       278.3421 2786.321       412.9624 324.2785 14.67361 299.2375 23.72524 25.04102       27.89627 
1 1 1 4   31 22 o 121.7831 27.38269 485.8781       190.8127 401.2119       214.3934 808.4978       418.5062 109.4970 31.62330 148.0129 44.56691 -38.51584      54.64652 
1 1 1 4   31 23 o 89.07213 28.80208 255.4667       171.5422 247.5362       190.0839 290.2712       398.2094 88.68621 30.36339 103.8448 42.06329 -15.15858      51.87731 
1 1 1 4   31 24 o 106.8158 26.77793 380.9506       167.4134 305.5586       186.2300 698.4920       382.1970 95.52987 29.91048 135.2095 42.91810 -39.67968      52.31253 
1 1 1 4   31 25 o 69.71676 28.04459 104.0371       175.6615 160.1918       199.4034 -90.55088      371.1909 77.88506 30.33210 77.95952 35.76294 -0.7445526E-01 46.89375 
1 1 1 4   31 26 f 219.7089 14.00262 1468.715       179.4906 1382.969       204.6740 1754.254       373.4976 211.6169 16.62497 228.0423 28.55083 -16.42542      33.03845 
1 1 1 4   31 27 o 106.7529 25.83649 388.3946       159.9964 337.6042       176.5961 621.0945       377.9969 98.29092 28.79196 122.9059 42.78399 -24.61494      51.56982 
1 1 1 4   31 28 o 81.59695 29.20995 217.7225       177.1597 161.7937       199.0927 430.4331       388.2682 76.54871 30.16076 106.1948 42.03244 -29.64606      51.73391 
1 1 1 4   31 29 o 114.1978 27.81625 459.8610       184.5469 444.7526       213.3797 504.7089       367.6332 109.8496 31.49396 110.5623 41.64777 -0.7126694     52.21500 
1 1 1 4   31 30 o 103.2777 27.13709 379.2886       166.4784 404.1244       187.7724 288.0400       359.9196 105.2327 29.33185 93.01840 39.04747 12.21426       48.83710 
1 1 1 4   31 31 o 65.05424 26.33593 101.9575       155.9995 189.9796       174.3630 -251.1383      349.2245 76.42835 28.70520 65.54389 31.45023 10.88446       42.58058 
1 1 1 4   31 32 o 51.17222 23.68373 -80.02009      167.9940 -86.09917      196.0203 -63.20340      326.0261 54.97534 25.49228 70.19313 32.66044 -15.21779      41.43140 
1 1 1 4   31 33 o 70.36488 28.24494 142.2015       177.7767 137.5036       196.8592 162.9704       413.9120 71.26312 29.30443 84.73009 38.44185 -13.46697      48.33762 
1 1 1 4   31 34 o 89.99552 28.16565 304.5545       165.1542 288.8052       178.5351 397.9638       434.7975 87.25011 29.43280 95.40917 41.52987 -8.159058      50.90206 
1 1 1 4   31 35 o 42.08945 20.55112 -239.7977      166.6003 -133.8729      182.6591 -763.9863      406.3370 49.55539 23.48685 56.11979 28.17254 -6.564400      36.67865 
1 1 1 4   31 36 o 65.53317 26.76156 117.7923       162.7432 195.5719       183.4146 -170.0986      352.8701 74.97590 29.12109 65.79959 31.58368 9.176308       42.96006 
1 1 1 4   31 37 o 117.6714 29.66898 545.8361       204.6703 585.0770       237.3607 432.0798       404.1355 117.8458 33.02612 93.56784 40.38481 24.27796       52.16950 
1 1 1 4   31 38 o 74.40240 30.57432 187.0488       214.0996 196.3792       248.2294 159.9443       423.0841 76.42966 32.27502 80.48072 37.36481 -4.051056      49.37415 
1 1 1 4   32 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   32 1  o 247.4709 9.724928 1807.904       140.8688 1665.594       150.1820 2849.734       406.3482 237.3248 10.81852 306.6411 22.75748 -69.31631      25.19808 
1 1 1 4   32 2  o 197.7918 19.73962 1182.609       225.9253 1182.609       225.9253 0.000000       0.000000 197.7918 19.73962 ?        ?        0.000000       19.73962 
1 1 1 4   32 3  o 375.8408 8.246962 4157.810       181.7810 4186.690       201.8945 4034.142       417.7792 376.9837 9.131694 366.5727 19.50303 10.41098       21.53500 
1 1 1 4   32 4  o 422.4398 8.238759 5252.914       204.1160 5151.577       226.3544 5693.955       472.2188 418.1429 9.230255 436.1153 18.50459 -17.97241      20.67892 
1 1 1 4   32 5  o 184.9678 10.92764 1013.519       118.0140 1029.646       123.7660 852.0244       391.6656 186.3597 11.37820 159.8759 41.43559 26.48380       42.96943 
1 1 1 4   32 6  o 78.62978 20.82837 192.4633       97.56371 192.4633       97.56371 0.000000       0.000000 78.62978 20.82837 ?        ?        0.000000       20.82837 
1 1 1 4   32 7  o 72.39758 22.02644 159.3549       101.8562 117.1783       105.3578 762.4227       398.3951 65.19389 22.59367 150.7057 42.97785 -85.51183      48.55481 
1 1 1 4   32 8  o 386.4013 9.040917 4400.060       204.8810 4400.060       204.8810 0.000000       0.000000 386.4013 9.040917 ?        ?        0.000000       9.040917 
1 1 1 4   32 9  o 463.6755 8.448357 6332.651       229.7401 6288.088       255.3893 6521.677       525.9859 461.7886 9.429940 465.8249 19.29488 -4.036224      21.47594 
1 1 1 4   32 10 o 287.2642 13.08834 2451.495       219.9248 2304.801       258.5732 2835.160       418.1694 277.6467 15.94671 304.7010 23.58411 -27.05429      28.46942 
1 1 1 4   32 11 o 146.5220 11.39727 638.7892       97.16893 638.7892       97.16893 0.000000       0.000000 146.5220 11.39727 ?        ?        0.000000       11.39727 
1 1 1 4   32 12 o 253.3531 8.668207 1894.497       128.6074 1898.129       138.3461 1871.390       348.9508 253.4678 9.322537 246.3590 24.47487 7.108780       26.19025 
1 1 1 4   32 13 o 66.68545 14.42844 137.3830       54.78679 129.4500       55.32374 540.1276       394.1898 64.64929 14.89754 128.1933 43.72914 -63.54401      46.19713 
1 1 1 4   32 14 o 252.1608 13.51021 1896.112       199.0681 1600.008       225.3980 2946.031       424.4302 230.5126 16.78773 309.5948 23.55230 -79.08221      28.92298 
1 1 1 4   32 15 o 200.0333 8.686997 1182.671       101.6684 1388.749       229.9035 1132.573       113.3546 213.9534 18.50382 195.5070 9.918535 18.44638       20.99450 
1 1 1 4   32 16 o 112.5624 28.32664 411.0180       186.8242 325.5553       210.4710 728.5280       405.6788 100.9245 31.82535 144.2318 43.97379 -43.30735      54.28211 
1 1 1 4   32 17 o 48.37162 23.27948 -269.7522      194.6266 -356.4757      216.7747 90.77721       441.9880 48.68869 23.69976 97.95343 42.25546 -49.26474      48.44794 
1 1 1 4   32 18 o 263.0310 15.26262 2078.502       234.4321 2132.814       271.1091 1917.518       466.7521 265.4624 17.51149 241.7709 33.84368 23.69154       38.10573 
1 1 1 4   32 19 f 222.8052 16.23391 1500.715       210.6730 1403.115       240.9289 1817.746       434.2249 214.0312 19.40447 235.6899 32.25968 -21.65871      37.64598 
1 1 1 4   32 20 o 73.34565 30.14617 86.43497       208.1997 276.1983       238.5101 -521.0761      426.7542 95.00216 33.90553 70.63706 34.11373 24.36510       48.09711 
1 1 1 4   32 21 o 124.1863 25.22764 500.2030       177.4627 499.3807       198.3468 503.5026       397.3195 122.8092 28.14286 120.2769 43.65390 2.532227       51.93923 
1 1 1 4   32 22 o 54.25121 24.48160 -59.31319      165.2081 -229.4496      183.0531 687.8872       383.6164 47.49708 22.78525 134.8661 43.01944 -87.36900      48.68101 
1 1 1 4   32 23 o 110.0769 27.44103 408.9317       176.5248 326.5965       201.7699 677.5840       364.4676 97.92501 31.19518 132.8031 41.88026 -34.87804      52.22160 
1 1 1 4   32 24 o 92.15127 27.99112 288.1874       164.5799 108.2062       183.5673 1025.672       371.5849 70.74350 28.59382 164.9399 39.02626 -94.19640      48.38032 
1 1 1 4   32 25 o 257.1508 12.93032 2001.853       194.3802 1960.862       220.9376 2142.271       408.9203 253.1727 14.94648 252.0525 28.14251 1.120209       31.86531 
1 1 1 4   32 26 o 137.6508 22.80731 622.4608       177.6793 615.0089       199.0126 651.7353       394.4522 134.6273 26.14831 124.2370 43.67266 10.39037       50.90221 
1 1 1 4   32 27 o 49.01567 23.05960 -136.9506      170.1574 -311.4286      189.2592 598.8660       388.6614 44.25069 21.66948 118.7983 43.16718 -74.54764      48.30085 
1 1 1 4   32 28 o 179.0101 16.32609 1001.444       169.5154 1042.046       195.0145 875.9236       342.8843 180.9784 18.63967 146.9232 39.10588 34.05515       43.32098 
1 1 1 4   32 29 o 122.2829 24.08463 510.8291       166.5771 575.5834       190.2790 298.3963       344.6414 128.4156 26.15465 92.75182 38.51682 35.66378       46.55761 
1 1 1 4   32 30 o 73.61393 26.90747 176.7177       151.3317 159.9148       175.0002 226.5384       301.3372 72.90866 28.40941 85.41831 35.78438 -12.50965      45.69044 
1 1 1 4   32 31 o 105.0331 28.06207 405.9915       176.1488 443.0514       206.2008 305.9158       338.8466 107.4222 31.00991 91.17621 38.05328 16.24602       49.08835 
1 1 1 4   32 32 o 182.3176 18.32722 1076.114       193.3083 1263.038       219.3473 426.0514       409.0503 196.6756 19.26330 98.06347 41.42200 98.61211       45.68213 
1 1 1 4   32 33 o 104.6843 27.29990 407.2784       169.3166 388.2572       184.3185 510.0647       428.4670 100.4106 29.41527 101.4829 42.60248 -1.072357      51.77093 
1 1 1 4   32 34 o 76.86479 28.69723 211.4602       173.7283 265.3676       193.4508 -13.21141      394.9303 83.36026 30.42982 74.56210 35.09439 8.798164       46.44986 
1 1 1 4   32 35 o 104.1066 27.91009 414.2906       173.8776 450.9178       192.9306 255.8418       401.2767 107.0013 29.69736 85.46145 38.39528 21.53980       48.53999 
1 1 1 4   32 36 o 138.6277 26.81263 713.9835       210.1073 918.3085       239.2759 25.85325       439.1102 157.5379 26.86037 76.56053 36.32387 80.97742       45.17635 
1 1 1 4   32 37 f 66.32521 28.92885 90.55512       211.8862 125.7230       243.5440 -18.95385      429.7632 70.98689 30.98748 74.31520 35.44947 -3.328316      47.08385 
1 1 1 4   33 0  o 374.1884 11.60234 4144.262       254.3088 4049.382       315.7501 4319.456       429.0568 368.8701 14.62450 378.9186 19.37144 -10.04852      24.27198 
1 1 1 4   33 1  o 251.4904 16.46567 1893.749       241.5216 1893.749       241.5216 0.000000       0.000000 251.4904 16.46567 ?        ?        0.000000       16.46567 
1 1 1 4   33 2  o 519.8764 11.41202 7990.336       347.9469 7621.993       413.9694 8876.841       642.2170 506.5526 13.94783 542.9224 20.20468 -36.36978      24.55139 
1 1 1 4   33 3  o 281.4168 9.429007 2337.969       155.4006 2337.969       155.4006 0.000000       0.000000 281.4168 9.429007 ?        ?        0.000000       9.429007 
1 1 1 4   33 4  o 115.5750 15.88221 405.0575       104.8090 497.0056       113.2772 -141.8579      276.2684 128.3530 15.35240 68.35864 31.16668 59.99432       34.74274 
1 1 1 4   33 5  f 169.8882 12.06942 858.5456       119.4711 858.5456       119.4711 0.000000       0.000000 169.8882 12.06942 ?        ?        0.000000       12.06942 
1 1 1 4   33 6  o 144.7707 14.28524 628.7086       119.7093 611.2841       125.2894 811.3567       405.6403 142.5136 15.22581 154.3329 43.14612 -11.81938      45.75383 
1 1 1 4   33 7  o 113.2181 15.11594 388.1700       97.86392 414.7112       100.6710 -67.93671      417.3285 117.1132 15.00111 88.98792 39.62499 28.12531       42.36949 
1 1 1 4   33 8  o 310.1437 8.720845 2838.118       158.4677 2838.118       158.4677 0.000000       0.000000 310.1437 8.720845 ?        ?        0.000000       8.720845 
1 1 1 4   33 9  o 170.5438 11.11960 864.1993       110.6117 834.7868       114.4021 1286.131       433.3004 167.4818 11.72103 196.1381 39.04155 -28.65628      40.76304 
1 1 1 4   33 10 o 491.0847 8.583888 7111.417       247.2242 6886.057       270.7777 8240.355       606.0519 482.9178 9.560689 522.0261 19.83159 -39.10825      22.01588 
1 1 1 4   33 11 o 329.6101 7.974285 3201.657       154.1497 3216.132       165.1352 3103.594       429.8168 330.1270 8.536358 317.9648 23.20893 12.16217       24.72900 
1 1 1 4   33 12 o 138.5468 10.21984 570.6176       82.45624 570.6176       82.45624 0.000000       0.000000 138.5468 10.21984 ?        ?        0.000000       10.21984 
1 1 1 4   33 13 o 519.1001 8.756018 7952.188       266.5681 7653.114       294.7236 9296.944       624.9528 508.8057 9.876714 554.2719 19.25457 -45.46619      21.63997 
1 1 1 4   33 14 o 178.2678 13.25656 950.8881       137.6051 764.6938       215.1732 1079.728       178.9906 156.0184 24.30761 189.0942 16.29884 -33.07574      29.26623 
1 1 1 4   33 15 o 92.15719 29.95226 265.8716       185.3787 337.7596       214.2189 51.50595       369.9196 102.3095 32.08620 89.21216 38.57152 13.09730       50.17257 
1 1 1 4   33 16 o 221.2259 16.88482 1481.202       217.4149 1144.134       248.0635 2598.030       451.5404 191.9345 22.46168 286.9037 27.15883 -94.96918      35.24385 
1 1 1 4   33 17 o 274.6055 13.87085 2259.168       222.6661 2211.187       256.2611 2407.021       449.8472 270.6168 16.22091 274.5862 28.34090 -3.969360      32.65462 
1 1 1 4   33 18 o 143.7802 26.82713 669.4129       217.8977 651.9190       247.8718 728.9069       457.1105 139.7759 31.04515 140.1754 47.09475 -0.3995667     56.40670 
1 1 1 4   33 19 o 137.4588 25.25559 609.9528       196.1008 700.7062       218.0886 226.7400       448.1479 147.0527 26.25091 103.1641 43.45456 43.88867       50.76818 
1 1 1 4   33 20 o 109.1373 27.79083 398.2881       178.3280 580.1560       196.0844 -471.6537      428.8545 133.0504 26.06180 71.18546 34.33367 61.86494       43.10474 
1 1 1 4   33 21 f 105.7091 29.88505 382.6423       193.4756 184.5279       219.5784 1070.460       409.1366 82.38848 31.90066 168.1584 41.69347 -85.76992      52.49760 
1 1 1 4   33 22 o 191.5906 16.38079 1130.132       182.2959 1040.781       206.9087 1440.098       385.3776 181.9035 19.70940 202.5314 33.62321 -20.62798      38.97410 
1 1 1 4   33 23 o 98.06696 27.30684 329.7706       162.8298 316.1769       180.7619 388.2677       374.9769 95.58187 29.39364 105.0278 41.38887 -9.445976      50.76440 
1 1 1 4   33 24 o 77.89484 29.08385 183.8570       178.4473 151.6485       201.7720 299.5050       382.3358 76.11015 30.24406 97.98491 40.61855 -21.87476      50.64158 
1 1 1 4   33 25 o 130.9919 24.67288 576.4494       182.5941 484.4761       202.1109 984.8627       425.9010 116.7139 29.51346 150.9764 44.84192 -34.26253      53.68279 
1 1 1 4   33 26 o 92.32359 28.09662 300.0599       165.7167 241.4859       183.6528 556.7596       384.4659 84.33842 29.78664 114.6704 42.71461 -30.33197      52.07477 
1 1 1 4   33 27 o 83.89486 28.32383 244.6999       165.3350 270.8968       183.3189 130.4905       382.7660 87.45021 29.82119 85.25996 37.95785 2.190254       48.27113 
1 1 1 4   33 28 o 61.17864 25.96997 55.99466       162.1208 32.91925       177.9319 168.7972       393.4037 61.13190 26.58885 86.50474 38.49872 -25.37284      46.78801 
1 1 1 4   33 29 o 180.2458 18.67044 1046.405       194.5105 1064.311       228.2174 998.8605       371.8791 178.5487 22.27756 151.3181 40.92601 27.23062       46.59644 
1 1 1 4   33 30 o 159.4616 21.31636 847.2745       194.3627 788.6000       223.8536 1026.990       391.7711 149.0776 26.57847 149.2208 42.64009 -0.1432648     50.24532 
1 1 1 4   33 31 o 110.7881 26.85524 448.6932       172.6541 430.3359       191.1140 530.1839       402.6638 106.0850 29.59992 104.3370 42.28508 1.748001       51.61573 
1 1 1 4   33 32 o 80.17910 28.57872 235.7478       169.4007 278.2076       184.6789 10.51442       425.3484 85.43336 29.89412 77.60496 36.49362 7.828400       47.17460 
1 1 1 4   33 33 o 214.6652 15.75552 1465.019       196.9740 1459.448       222.7513 1484.994       421.8213 211.6571 18.11884 180.7889 40.76050 30.86818       44.60617 
1 1 1 4   33 34 o 158.5192 23.71391 884.0383       213.6994 1058.770       244.6938 322.3979       438.6980 172.1532 24.96322 88.88512 40.02150 83.26803       47.16867 
1 1 1 4   33 35 o 63.49693 28.16511 53.16519       208.7960 17.96934       232.2801 201.2970       476.5301 63.33777 28.76045 83.66790 39.11389 -20.33013      48.54956 
1 1 1 4   33 36 o 54.88182 26.00736 -121.2720      223.8033 -106.0379      242.4153 -209.2080      582.4185 57.64424 27.24213 75.68651 37.25354 -18.04227      46.15149 
1 1 1 4   34 0  o 199.4544 12.24297 1183.725       142.5224 1183.725       142.5224 0.000000       0.000000 199.4544 12.24297 ?        ?        0.000000       12.24297 
1 1 1 4   34 1  o 273.0221 16.22733 2235.690       258.6615 2235.690       258.6615 0.000000       0.000000 273.0221 16.22733 ?        ?        0.000000       16.22733 
1 1 1 4   34 2  f 585.4066 12.49097 10165.82       428.8488 9506.155       517.2344 11616.65       767.0718 564.0509 15.65087 618.8618 21.16564 -54.81085      26.32365 
1 1 1 4   34 3  o 401.0139 8.762547 4742.800       206.0821 4906.652       227.2802 3985.295       488.6832 407.6756 9.505970 360.7722 23.21967 46.90344       25.09017 
1 1 1 4   34 4  o 209.8699 10.67389 1306.005       130.9467 1345.633       137.9017 942.6005       417.6019 212.9477 11.08008 165.1598 42.77570 47.78784       44.18742 
1 1 1 4   34 5  o 112.7590 17.49062 389.8777       111.9217 430.2175       116.4647 -97.15121      404.6732 118.6313 17.24416 85.69937 38.52523 32.93196       42.20846 
1 1 1 4   34 6  o 142.7229 13.12435 610.2092       108.6264 601.3504       112.7896 723.6094       403.5409 141.5263 13.76240 144.5714 43.81313 -3.045166      45.92378 
1 1 1 4   34 7  o 151.8966 46.48394 815.2375       452.7643 0.000000       0.000000 815.2375       452.7643 ?        ?        151.8966 46.48394 0.000000       46.48394 
1 1 1 4   34 8  o 59.02948 21.68896 87.16621       98.52338 77.25742       101.1906 267.7302       431.9617 57.86277 21.83835 108.2934 43.82981 -50.43061      48.96902 
1 1 1 4   34 9  o 235.6290 9.702997 1643.493       133.7996 1574.224       139.5589 2431.168       470.6118 230.4514 10.35232 276.9615 29.42264 -46.51007      31.19074 
1 1 1 4   34 10 o 43.66954 18.56428 4.330190       83.04763 4.330190       83.04763 0.000000       0.000000 43.66954 18.56428 ?        ?        0.000000       18.56428 
1 1 1 4   34 11 f 134.4259 12.67898 541.8101       98.77728 533.9051       101.8466 667.0623       405.4039 133.3107 13.19971 138.2000 44.23932 -4.889297      46.16654 
1 1 1 4   34 12 o 407.8979 9.947227 4921.910       237.9601 4787.275       330.6145 5066.625       342.7672 400.2831 14.10534 411.7498 14.21567 -11.46674      20.02612 
1 1 1 4   34 13 o 265.7764 7.346731 2083.275       114.4048 2107.748       128.2342 1987.815       253.2594 267.1480 8.194365 256.4627 16.93275 10.68530       18.81132 
1 1 1 4   34 14 o 234.8343 16.19592 1665.801       221.6917 1771.532       259.5413 1380.514       426.3316 241.1537 18.49218 201.4883 37.45675 39.66542       41.77282 
1 1 1 4   34 15 o 267.8875 9.944875 2128.795       155.9724 1795.457       252.0161 2335.743       198.5719 242.8917 17.81545 279.8528 12.12746 -36.96103      21.55146 
1 1 1 4   34 16 o 236.4054 15.83846 1691.131       218.3273 1543.838       249.0840 2179.512       453.5594 224.2489 19.12159 258.4202 30.51442 -34.17131      36.01062 
1 1 1 4   34 17 o 81.15343 29.68344 188.8436       184.2142 185.8389       203.3160 202.6176       435.3162 82.29269 30.97788 100.6693 42.63678 -18.37660      52.70222 
1 1 1 4   34 18 o 66.67277 27.42420 71.85059       172.4684 136.3426       191.0599 -211.9879      400.8228 75.42568 29.59815 77.00378 35.95712 -1.578102      46.57215 
1 1 1 4   34 19 o 111.9479 28.23548 424.7556       185.3253 509.1634       212.2910 154.3745       379.9516 121.8585 29.92653 92.02196 39.42955 29.83658       49.50037 
1 1 1 4   34 20 o 77.35016 29.83553 162.7822       191.5310 87.60658       212.9527 481.0562       438.1725 72.17964 30.14907 114.1866 44.81876 -42.00697      54.01563 
1 1 1 4   34 21 o 175.9601 17.72539 965.4852       180.4296 974.2269       197.2554 920.7030       446.4610 175.7084 19.46820 147.0970 46.34760 28.61136       50.27038 
1 1 1 4   34 22 f 75.76306 29.06234 163.1051       181.0317 239.5943       204.7539 -110.8053      387.4683 85.77988 31.30726 77.02681 35.75998 8.753067       47.52810 
1 1 1 4   34 23 o 64.14043 26.93602 63.21637       171.3808 61.43760       196.2534 68.92991       351.7309 66.98615 28.50937 81.92723 36.43559 -14.94108      46.26377 
1 1 1 4   34 24 o 53.93068 24.36982 -44.63939      164.3490 34.89221       179.2561 -464.0317      411.6369 62.39545 26.91316 66.56415 32.45811 -4.168694      42.16453 
1 1 1 4   34 25 o 203.2646 15.87243 1285.515       187.7157 1286.876       209.6452 1280.014       421.5787 201.8244 17.89707 175.9223 41.53152 25.90211       45.22358 
1 1 1 4   34 26 o 169.0580 19.51506 923.0035       189.9416 827.5493       213.4546 1286.078       416.2996 156.4456 24.03175 174.7611 41.27953 -18.31544      47.76531 
1 1 1 4   34 27 o 65.58738 27.27876 90.61176       173.2521 23.69477       197.5259 313.7854       360.7258 62.64723 27.60902 93.23332 39.11144 -30.58609      47.87445 
1 1 1 4   34 28 o 69.04139 28.60037 114.5388       189.3732 234.1011       215.8732 -284.7319      394.4894 82.28191 31.69135 67.81216 32.76157 14.46976       45.58138 
1 1 1 4   34 29 o 109.2769 27.92942 440.9208       179.6484 343.2428       199.5382 858.9067       412.7703 94.28978 31.10063 130.2114 44.73843 -35.92159      54.48648 
1 1 1 4   34 30 o 109.8070 28.14597 451.5303       182.0819 508.7586       202.6784 212.1099       414.5556 115.2434 29.77619 85.97616 38.79088 29.26728       48.90147 
1 1 1 4   34 31 o 70.34894 28.36496 149.0687       180.1527 128.0123       198.9720 244.8492       424.3644 69.60507 29.11312 86.64663 39.15585 -17.04156      48.79298 
1 1 1 4   34 32 f 76.53826 30.26606 203.8002       201.1416 333.5285       225.8838 -292.9607      442.0194 90.18671 32.88802 68.56514 33.47767 21.62157       46.92949 
1 1 1 4   34 33 o 167.5956 22.84617 977.9013       218.7165 1073.530       246.2617 620.7339       475.9253 173.1507 24.97139 102.7337 44.07639 70.41700       50.65864 
1 1 1 4   34 34 o 62.01948 27.99838 21.65662       216.3338 269.4131       244.7889 -862.0278      462.3042 82.43608 33.12517 57.82561 29.16098 24.61047       44.13207 
1 1 1 4   34 35 o 69.52255 29.31413 139.0509       204.2757 263.4088       226.4590 -404.0379      473.2474 81.45919 32.14484 66.44450 32.86765 15.01469       45.97362 
1 1 1 4   35 0  o 207.7963 11.35539 1283.482       137.8595 1283.482       137.8595 0.000000       0.000000 207.7963 11.35539 ?        ?        0.000000       11.35539 
1 1 1 4   35 1  o 234.2730 10.17406 1626.287       139.4538 1542.710       146.5944 2422.039       452.3354 227.9619 10.99734 277.1847 28.21840 -49.22278      30.28563 
1 1 1 4   35 2  o 150.1431 25.43137 712.7283       215.9516 712.7283       215.9516 0.000000       0.000000 150.1431 25.43137 ?        ?        0.000000       25.43137 
1 1 1 4   35 3  o 305.8744 9.107643 2765.091       163.1983 2854.445       174.1540 2121.185       467.5066 310.6558 9.570213 256.8539 31.70737 53.80194       33.12017 
1 1 1 4   35 4  o 200.6472 19.42380 1228.528       225.7140 1228.528       225.7140 0.000000       0.000000 200.6472 19.42380 ?        ?        0.000000       19.42380 
1 1 1 4   35 5  o 214.6548 16.51442 1390.268       206.3030 1534.708       242.1840 1008.252       393.8616 224.7892 18.53498 171.2571 39.94971 53.53207       44.04004 
1 1 1 4   35 6  o 263.6592 9.015701 2055.200       139.2046 2093.842       147.1781 1727.271       428.7450 266.0232 9.448509 230.6700 32.60020 35.35324       33.94183 
1 1 1 4   35 7  o 96.13646 20.09734 290.2574       109.6592 271.0792       113.3971 566.8538       430.6479 92.57072 21.32624 129.4615 45.62219 -36.89075      50.36063 
1 1 1 4   35 8  o 77.69691 20.35188 190.2301       93.82605 199.4395       96.32776 19.80404       414.3852 79.50356 20.52052 91.56614 40.18379 -12.06258      45.12016 
1 1 1 4   35 9  o 196.2484 9.733511 1141.934       111.6783 1119.053       115.5150 1469.326       436.9507 194.1672 10.17962 209.0143 36.99936 -14.84703      38.37418 
1 1 1 4   35 10 o 263.4138 14.10867 2078.901       217.1639 2109.921       248.9946 1980.308       443.9025 264.5220 16.12673 247.1518 31.32758 17.37018       35.23477 
1 1 1 4   35 11 o 264.3279 10.49732 2074.485       162.4080 2074.485       162.4080 0.000000       0.000000 264.3279 10.49732 ?        ?        0.000000       10.49732 
1 1 1 4   35 12 o 157.8737 10.20260 741.7786       93.95923 741.7786       93.95923 0.000000       0.000000 157.8737 10.20260 ?        ?        0.000000       10.20260 
1 1 1 4   35 13 o 191.2192 8.905006 1083.848       99.59144 1040.802       105.4936 1436.574       301.9794 187.2017 9.641202 213.2330 24.59782 -26.03131      26.41979 
1 1 1 4   35 14 o 214.5085 12.87041 1380.023       161.1705 866.8004       247.7776 1756.428       212.1957 163.6368 26.74123 241.1252 15.08077 -77.48843      30.70054 
1 1 1 4   35 15 o 408.7471 9.483098 4955.345       227.3293 5593.668       377.4218 4591.919       284.7834 430.4165 14.97441 391.7110 12.41214 38.70547       19.44979 
1 1 1 4   35 16 o 75.25088 29.77052 133.0897       194.6905 299.8373       227.6501 -320.9606      375.6558 95.52680 33.20555 70.08842 33.35155 25.43838       47.06310 
1 1 1 4   35 17 o 105.7530 29.52431 383.5614       190.0800 386.4664       212.4952 371.9301       425.1970 105.4776 31.75615 107.6478 43.51523 -2.170212      53.87048 
1 1 1 4   35 18 o 194.8651 16.28961 1168.864       184.4621 1251.365       204.3035 804.9354       429.0941 200.9396 17.51118 139.5294 45.58482 61.41019       48.83254 
1 1 1 4   35 19 o 93.19104 29.39240 298.8101       179.5132 352.4247       203.3840 109.7818       381.8906 100.0531 31.24744 87.59183 38.50341 12.46127       49.58745 
1 1 1 4   35 20 o 44.31050 21.41885 -230.4621      169.1749 -210.5003      188.2614 -314.2047      385.5984 48.55895 23.24465 69.37370 33.22405 -20.81474      40.54814 
1 1 1 4   35 21 o 68.34917 27.61462 105.8963       171.1308 259.9417       190.2515 -546.9866      391.6710 87.33674 30.35592 62.86536 30.86444 24.47138       43.29082 
1 1 1 4   35 22 o 169.1936 17.46249 899.3990       170.7903 931.1802       188.1976 751.0496       406.6044 171.1098 19.07792 130.7895 44.41585 40.32033       48.33978 
1 1 1 4   35 23 o 58.39970 25.34792 20.37821       161.0176 63.92022       175.7574 -207.0392      401.6717 64.23311 27.14295 72.98267 34.65950 -8.749565      44.02296 
1 1 1 4   35 24 o 141.3406 23.27784 670.4293       186.2454 656.4080       209.8211 722.5158       404.4067 136.8602 27.10006 125.0431 44.19751 11.81711       51.84432 
1 1 1 4   35 25 o 187.1474 17.38039 1111.922       188.5829 1031.295       213.2759 1400.880       403.7578 177.2453 20.91973 186.0321 38.28419 -8.786850      43.62699 
1 1 1 4   35 26 f 108.5160 26.16760 419.3602       164.5863 380.6379       179.4962 623.8208       412.4580 101.4393 28.82154 113.8236 43.81465 -12.38429      52.44430 
1 1 1 4   35 27 o 138.3333 22.70457 649.9914       177.8156 760.2879       193.6568 57.35763       448.8954 149.7253 22.77048 82.48180 38.35984 67.24352       44.60910 
1 1 1 4   35 28 o 72.23388 28.69642 159.7540       181.6059 254.8531       199.3333 -304.6943      440.5145 83.22792 30.80278 69.65247 33.87705 13.57545       45.78718 
1 1 1 4   35 29 o 96.50065 31.25613 369.7938       201.9689 491.3982       234.9984 26.10316       395.0699 109.0274 33.51192 76.79976 35.80755 32.22768       49.04314 
1 1 1 4   35 30 o 73.13094 29.94752 165.4460       204.5036 155.1049       232.5465 200.7328       429.5696 73.77128 31.19988 84.42345 38.63246 -10.65218      49.65782 
1 1 1 4   35 31 o 64.94863 28.38200 70.55455       204.7853 60.86237       236.8463 99.26110       407.6116 67.00579 29.84308 78.94373 36.65945 -11.93794      47.27076 
1 1 1 4   35 32 o 95.06646 30.77944 369.4301       195.8669 492.2875       215.5743 -211.8489      468.9091 109.0404 31.77489 71.22147 34.70996 37.81893       47.05767 
1 1 1 4   35 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   35 34 o 89.03522 31.47354 332.4213       205.0799 304.5697       234.3650 423.4426       423.6817 85.12036 32.95759 91.39452 40.35003 -6.274155      52.09921 
1 1 1 4   36 0  o 120.0350 18.40488 444.7935       125.4398 309.0101       132.1558 1679.810       398.5649 98.35655 23.27529 228.1590 30.55320 -129.8024      38.40882 
1 1 1 4   36 1  f 181.4588 12.33772 983.5578       130.5188 936.4644       136.8457 1457.806       434.2642 176.7793 13.29671 208.0906 36.93650 -31.31136      39.25694 
1 1 1 4   36 2  o 185.5905 12.71297 1029.882       137.5379 1029.882       137.5379 0.000000       0.000000 185.5905 12.71297 ?        ?        0.000000       12.71297 
1 1 1 4   36 3  o 296.3848 9.041039 2598.194       156.9700 2692.169       168.9565 2005.499       424.3122 301.5484 9.565708 250.1380 29.48994 51.41034       31.00257 
1 1 1 4   36 4  o 123.0853 19.14007 469.4474       133.6773 469.4474       133.6773 0.000000       0.000000 123.0853 19.14007 ?        ?        0.000000       19.14007 
1 1 1 4   36 5  o 126.1452 16.18129 485.6759       116.9576 569.1422       123.7505 -212.5912      357.9334 136.8481 15.70322 74.14323 34.40366 62.70491       37.81802 
1 1 1 4   36 6  o 207.2773 11.06275 1278.765       133.9952 1278.765       133.9952 0.000000       0.000000 207.2773 11.06275 ?        ?        0.000000       11.06275 
1 1 1 4   36 7  o 417.5858 9.295105 5158.746       227.6411 5158.746       227.6411 0.000000       0.000000 417.5858 9.295105 ?        ?        0.000000       9.295105 
1 1 1 4   36 8  o 169.1463 13.88799 861.4380       136.5570 861.4380       136.5570 0.000000       0.000000 169.1463 13.88799 ?        ?        0.000000       13.88799 
1 1 1 4   36 9  o 198.8868 9.947065 1175.340       115.6567 1128.788       120.0336 1778.972       432.2322 194.7388 10.54932 231.6119 32.73161 -36.87312      34.38963 
1 1 1 4   36 10 o 246.5683 8.614153 1799.994       124.3749 1689.198       129.0905 3233.944       464.4077 238.6771 9.239618 320.1675 24.92905 -81.49034      26.58624 
1 1 1 4   36 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   36 12 o 200.1754 8.383130 1187.688       98.19858 1210.855       105.2141 1031.139       273.5026 201.9844 8.903769 177.8533 27.07411 24.13104       28.50061 
1 1 1 4   36 13 o 139.0787 9.278098 576.4317       75.24526 497.8176       79.68349 1223.748       228.6527 128.8687 10.63781 198.0504 19.95756 -69.18166      22.61564 
1 1 1 4   36 14 o 177.8777 19.89601 992.0816       204.0060 764.3939       229.2189 1859.625       447.4310 152.0494 26.67727 231.5955 33.94934 -79.54604      43.17678 
1 1 1 4   36 15 o 332.2742 11.98898 3315.760       233.2475 0.000000       0.000000 3315.760       233.2475 ?        ?        332.2742 11.98898 0.000000       11.98898 
1 1 1 4   36 16 o 180.6293 20.18334 1032.837       210.1616 934.8798       236.1754 1405.465       460.6321 168.8781 24.56544 189.7032 42.46341 -20.82506      49.05713 
1 1 1 4   36 17 o 87.05477 29.86794 253.7242       183.9559 234.5650       204.4098 335.3423       421.8966 85.43219 31.26509 102.3594 42.57029 -16.92718      52.81794 
1 1 1 4   36 18 o 58.09910 25.83168 -18.90056      176.6745 13.03148       191.5170 -201.2879      457.7108 62.66606 27.41441 79.17963 37.42365 -16.51357      46.39051 
1 1 1 4   36 19 o 189.1380 15.78012 1107.233       173.4474 1031.747       187.2485 1563.420       460.3184 181.2237 17.84928 199.0575 40.80199 -17.83386      44.53537 
1 1 1 4   36 20 o 194.3438 16.88562 1179.758       190.5507 1335.729       218.4120 682.7337       389.8918 205.8055 18.28560 125.6464 43.46769 80.15905       47.15722 
1 1 1 4   36 21 o 60.44838 26.38461 18.92147       176.5288 -131.8676      196.1308 662.1841       405.0933 53.28931 24.97073 121.8055 44.09719 -68.51621      50.67642 
1 1 1 4   36 22 o 65.88810 27.56883 82.16532       178.5242 124.3852       198.3975 -97.46947      409.2353 71.75147 29.45261 76.80113 36.01426 -5.049660      46.52400 
1 1 1 4   36 23 o 83.70876 28.31702 248.0159       165.2575 311.6960       180.3449 -85.51323      412.7327 92.17429 29.50645 76.61619 36.00346 15.55811       46.54976 
1 1 1 4   36 24 o 137.5809 22.93861 640.4105       178.5738 503.8776       197.1881 1262.875       421.0360 117.0935 28.89382 169.1329 42.50297 -52.03941      51.39412 
1 1 1 4   36 25 o 59.05698 25.43463 41.46161       159.6330 83.98580       178.3466 -129.8677      357.9833 65.06736 27.41059 69.87099 33.04568 -4.803635      42.93434 
1 1 1 4   36 26 o 59.17069 26.34207 7.709353       184.3300 -116.8377      204.0739 559.5433       429.5611 54.03596 25.36855 106.3315 43.45695 -52.29557      50.31968 
1 1 1 4   36 27 o 85.55499 30.56712 277.8428       193.9068 252.8863       216.9764 376.8375       432.1422 82.84775 31.80759 94.28793 41.21563 -11.44018      52.06199 
1 1 1 4   36 28 o 66.49386 28.34768 95.90154       194.6089 158.2861       215.1954 -184.1535      455.9490 73.28967 30.43533 72.78537 35.17817 0.5043030      46.51681 
1 1 1 4   36 29 o 58.68456 26.09861 19.22005       180.4611 -64.46746      195.2192 510.7835       473.1317 54.97942 25.47543 98.65458 43.12519 -43.67516      50.08772 
1 1 1 4   36 30 o 59.95331 26.89870 15.75232       196.2093 -43.06030      216.7553 282.6039       461.7101 58.54038 27.02603 87.38200 40.01085 -28.84162      48.28326 
1 1 1 4   36 31 o 100.2422 32.93333 432.0169       223.8298 423.5159       252.2329 463.5145       485.5170 97.12834 34.84377 93.82159 42.18557 3.306755       54.71481 
1 1 1 4   36 32 o 85.66998 32.15773 303.7603       218.7613 246.7161       247.5631 507.0164       467.3069 80.25656 32.91718 95.53242 42.26742 -15.27586      53.57308 
1 1 1 4   36 33 o 72.80408 31.03738 166.4718       233.2846 407.6101       273.6494 -474.8608      446.2755 93.24197 35.74047 62.89257 31.25016 30.34941       47.47582 
1 1 1 4   37 0  o 51.76212 22.49150 -7.850789      127.0591 28.49532       133.9001 -336.5325      402.6612 56.76058 23.82120 73.70251 34.91386 -16.94193      42.26615 
1 1 1 4   37 1  o 106.1555 22.58029 360.7740       136.2531 360.7740       136.2531 0.000000       0.000000 106.1555 22.58029 ?        ?        0.000000       22.58029 
1 1 1 4   37 2  o 231.5446 10.52620 1594.843       142.5671 1574.773       152.3006 1736.975       405.2964 229.8196 11.33459 230.0533 30.81375 -0.2336273     32.83230 
1 1 1 4   37 3  o 186.8524 11.97046 1044.479       130.4878 1095.900       139.2313 673.2126       374.1163 191.2515 12.48133 136.0321 42.36382 55.21933       44.16420 
1 1 1 4   37 4  o 177.3807 22.29227 987.7319       226.7963 987.7319       226.7963 0.000000       0.000000 177.3807 22.29227 ?        ?        0.000000       22.29227 
1 1 1 4   37 5  o 64.92374 23.81066 111.9875       118.6548 111.9875       118.6548 0.000000       0.000000 64.92374 23.81066 ?        ?        0.000000       23.81066 
1 1 1 4   37 6  o 61.67766 22.26327 103.2025       103.1592 140.0296       107.6913 -306.9182      359.3790 68.27849 22.85777 69.51952 32.94753 -1.241028      40.10009 
1 1 1 4   37 7  o 76.01689 22.80611 183.8228       109.7383 162.7817       115.2805 387.0062       358.2326 72.55485 23.62265 108.8892 41.09116 -36.33439      47.39740 
1 1 1 4   37 8  o 56.79058 21.01784 82.49192       92.80515 95.42211       95.84239 -111.8732      371.5902 59.35448 21.45457 78.33552 35.87822 -18.98104      41.80366 
1 1 1 4   37 9  o 249.6565 8.441205 1847.831       123.4164 1841.469       128.9632 1917.047       425.3917 249.0943 8.841804 238.9635 31.08975 10.13080       32.32259 
1 1 1 4   37 10 o 202.0466 9.734302 1216.323       115.0078 1216.323       115.0078 0.000000       0.000000 202.0466 9.734302 ?        ?        0.000000       9.734302 
1 1 1 4   37 11 o 163.1952 10.11556 796.1003       96.34022 730.5748       98.80621 2059.889       433.9267 156.0802 10.86186 246.8168 30.63447 -90.73653      32.50309 
1 1 1 4   37 12 o 213.2112 8.162068 1349.375       101.8727 1407.203       109.7981 991.6322       273.0947 217.5868 8.621288 171.8169 28.07003 45.76993       29.36415 
1 1 1 4   37 13 o 144.9894 18.68265 661.7927       155.1754 709.9427       212.6882 606.9915       226.9031 146.0305 25.77621 132.0555 29.98466 13.97498       39.54103 
1 1 1 4   37 14 o 183.6551 13.63738 1026.984       145.8391 930.7892       222.3677 1099.592       193.1915 169.2367 22.99863 187.7241 17.75871 -18.48741      29.05699 
1 1 1 4   37 15 o 68.67738 15.29056 149.5307       60.00391 109.2836       195.7127 153.7064       63.03984 71.49815 29.28988 69.51219 15.82017 1.985962       33.28926 
1 1 1 4   37 16 o 131.7339 23.78196 576.7219       176.9770 618.4326       191.5816 334.0146       462.1382 135.7201 24.98960 102.0370 43.59741 33.68304       50.25151 
1 1 1 4   37 17 o 124.7782 30.91300 562.2572       225.0457 562.2572       225.0457 0.000000       0.000000 124.7782 30.91300 ?        ?        0.000000       30.91300 
1 1 1 4   37 18 o 124.4397 27.13257 538.1746       192.4203 591.7382       214.5890 318.3744       434.6971 129.2296 29.02492 98.96496 42.28397 30.26460       51.28724 
1 1 1 4   37 19 o 60.55914 26.87050 -2.442270      190.1919 -4.595680      211.0533 6.863593       438.7400 63.08809 28.13005 83.44505 38.49747 -20.35696      47.67971 
1 1 1 4   37 20 o 57.25723 25.42056 -6.357041      170.4736 32.21547       185.2660 -219.3763      435.3778 62.29565 27.11271 74.42625 35.55138 -12.13060      44.71017 
1 1 1 4   37 21 o 71.24931 27.82080 148.0942       168.1059 155.9046       183.5149 107.3572       419.1120 73.18496 28.91908 84.72247 38.53424 -11.53751      48.17884 
1 1 1 4   37 22 f 100.0264 30.47310 377.8500       194.8666 352.6605       215.6201 490.1302       455.2306 95.84393 32.34554 104.2691 43.85110 -8.425186      54.48994 
1 1 1 4   37 23 o 53.08331 25.01024 -133.3128      201.4879 -93.83383      223.1415 -307.6230      468.8768 58.04220 27.01120 72.46410 35.17675 -14.42191      44.35097 
1 1 1 4   37 24 o 64.28616 27.93583 56.19511       196.0516 158.6423       219.2658 -352.2236      437.7981 74.73755 30.84986 68.63872 33.47058 6.098831       45.51916 
1 1 1 4   37 25 o 76.51288 29.39705 199.4722       185.4292 111.5164       203.8113 622.1473       446.7859 69.08036 29.21198 108.4453 44.32011 -39.36491      53.08118 
1 1 1 4   37 26 o 58.09169 25.92518 7.895698       179.6797 -40.29604      197.7492 236.0307       430.2534 57.08386 26.15541 86.80407 39.30725 -29.72021      47.21405 
1 1 1 4   37 27 o 67.72573 27.82258 127.3398       177.2288 138.4893       192.4178 64.96484       455.1151 69.83480 28.86988 79.94339 37.64161 -10.10859      47.43797 
1 1 1 4   37 28 o 72.31861 28.60686 172.9102       179.7471 193.5948       192.5466 32.66395       501.3694 74.99300 29.62572 80.16515 38.25356 -5.172157      48.38407 
1 1 1 4   37 29 o 79.98658 31.43587 243.1639       215.8050 337.6531       244.0293 -95.89911      462.2653 89.09517 33.84768 73.96701 35.66795 15.12816       49.17182 
1 1 1 4   37 30 f 69.29578 30.18507 114.3047       230.0467 293.1235       278.6564 -268.3952      407.6538 84.36711 34.79661 65.73389 32.10711 18.63322       47.34628 
1 1 1 4   37 31 o 60.17206 28.13898 -59.45267      246.9611 -174.3859      295.3162 207.8725       450.3853 59.84674 28.76963 82.45224 38.37223 -22.60550      47.95956 
1 1 1 4   38 0  o 226.9291 10.17984 1535.254       135.1372 1429.610       142.8562 2434.326       416.7502 218.5958 11.18025 274.1331 26.24170 -55.53734      28.52411 
1 1 1 4   38 1  o 200.6737 11.03826 1204.809       129.4094 1092.706       135.9586 2285.027       422.0397 190.6497 12.22402 264.1432 27.65285 -73.49347      30.23420 
1 1 1 4   38 2  o 174.9580 12.90803 923.7209       131.5150 923.7209       131.5150 0.000000       0.000000 174.9580 12.90803 ?        ?        0.000000       12.90803 
1 1 1 4   38 3  o 107.9106 19.29492 369.0609       117.6292 369.0609       117.6292 0.000000       0.000000 107.9106 19.29492 ?        ?        0.000000       19.29492 
1 1 1 4   38 4  o 35.12742 17.09508 -186.6508      112.6255 -186.6508      112.6255 0.000000       0.000000 35.12742 17.09508 ?        ?        0.000000       17.09508 
1 1 1 4   38 5  o 45.27612 20.17298 -29.60925      108.3318 -29.60925      108.3318 0.000000       0.000000 45.27612 20.17298 ?        ?        0.000000       20.17298 
1 1 1 4   38 6  f 78.22755 21.57714 198.7218       102.1994 242.8913       107.1663 -244.9208      339.6357 86.40487 21.28857 68.29867 32.26771 18.10620       38.65758 
1 1 1 4   38 7  o 197.3162 18.03429 1209.640       206.3902 1209.640       206.3902 0.000000       0.000000 197.3162 18.03429 ?        ?        0.000000       18.03429 
1 1 1 4   38 8  o 116.0385 24.90788 448.4703       164.4373 382.4997       186.5413 678.4025       348.2568 105.0771 29.21585 131.8058 40.84541 -26.72871      50.21865 
1 1 1 4   38 9  o 149.5805 11.65089 675.1891       101.4024 670.9697       105.6616 724.3825       360.7839 148.9060 12.20618 135.0080 41.52782 13.89803       43.28453 
1 1 1 4   38 10 o 165.0723 10.56136 818.0165       101.7093 821.9944       105.3243 763.0354       391.5744 165.3421 10.92281 136.1175 43.46824 29.22453       44.81959 
1 1 1 4   38 11 o 104.4651 14.22879 337.2166       84.91084 337.2166       84.91084 0.000000       0.000000 104.4651 14.22879 ?        ?        0.000000       14.22879 
1 1 1 4   38 12 o 165.7406 8.945888 820.0337       86.63438 795.1319       91.74796 1024.931       263.1775 162.9643 9.642708 174.4347 26.56305 -11.47041      28.25911 
1 1 1 4   38 13 o 187.0100 15.09098 1077.410       164.1087 999.5552       228.9766 1159.640       235.3231 174.8249 22.88112 189.5051 21.55620 -14.68018      31.43590 
1 1 1 4   38 14 o 187.7498 8.757242 1051.921       96.16108 706.6101       222.4854 1131.246       106.6357 143.1077 27.50777 194.4698 9.377388 -51.36211      29.06222 
1 1 1 4   38 15 o 126.0338 11.12039 481.1936       81.35498 77.73601       197.5602 563.5823       89.27599 68.19563 28.79531 136.4150 11.25908 -68.21934      30.91823 
1 1 1 4   38 16 o 75.80360 28.36325 178.2536       169.8967 120.4744       183.8086 517.1848       445.1805 70.51931 28.57303 110.3704 44.55815 -39.85109      52.93248 
1 1 1 4   38 17 o 73.34845 29.30213 146.2101       190.3937 -10.60964      208.7796 920.7789       463.9997 62.23077 27.84679 137.6962 47.42882 -75.46548      54.99942 
1 1 1 4   38 18 o 79.77709 30.19242 208.8130       193.7264 294.4130       220.7691 -77.79067      403.9635 89.91076 32.55337 76.72018 35.91359 13.19057       48.47172 
1 1 1 4   38 19 o 104.0817 32.89430 421.2881       224.7313 421.2881       224.7313 0.000000       0.000000 104.0817 32.89430 ?        ?        0.000000       32.89430 
1 1 1 4   38 20 o 91.44214 39.97500 272.8993       406.5922 0.000000       0.000000 272.8993       406.5922 ?        ?        91.44214 39.97500 0.000000       39.97500 
1 1 1 4   38 21 o 57.20931 25.53094 -4.523455      174.2484 1.118660       192.9906 -29.41262      405.3407 60.04792 26.82844 77.01640 36.02710 -16.96848      44.91901 
1 1 1 4   38 22 o 122.1198 27.58673 544.2397       192.8990 644.3517       221.1887 226.2414       394.2145 131.4375 29.42823 87.15863 38.67841 44.27890       48.60082 
1 1 1 4   38 23 o 211.4065 16.78612 1426.536       206.4151 1470.854       237.0015 1287.309       420.0703 212.0028 19.27199 166.2550 42.82167 45.74774       46.95855 
1 1 1 4   38 24 o 89.58588 31.67323 316.8731       207.6973 175.0718       236.7981 789.7732       432.4369 76.07430 31.78526 119.4745 45.13325 -43.40024      55.20248 
1 1 1 4   38 25 o 77.36048 30.67359 209.0736       207.1118 78.99265       232.9551 699.7052       452.4214 68.13853 30.00782 110.2993 44.77760 -42.16077      53.90271 
1 1 1 4   38 26 o 96.21580 31.73458 379.7217       207.7565 369.3938       232.7077 420.2838       461.1742 93.59925 33.48090 93.95099 41.75552 -0.3517380     53.52097 
1 1 1 4   38 27 o 63.87673 28.27243 54.93594       209.2759 81.65630       239.1080 -32.55162      432.6593 68.14996 30.18927 74.68775 35.61092 -6.537788      46.68544 
1 1 1 4   38 28 f 56.28466 26.44662 -90.01984      222.6027 -396.6591      253.6358 938.0891       464.4257 48.46443 23.98947 121.1744 46.53199 -72.70998      52.35189 
1 1 1 4   38 29 o 136.2789 28.76828 718.3008       222.6980 917.7430       255.0573 78.49866       456.8273 153.8141 29.34467 78.21386 37.09112 75.60020       47.29546 
1 1 1 4   38 30 o 64.10129 28.82631 48.21943       226.7912 221.9372       258.8483 -525.7098      470.4921 77.90366 32.93082 63.41363 31.60319 14.49003       45.64209 
1 1 1 4   39 0  o 176.2294 12.74716 941.2171       130.8570 1050.054       139.4176 135.7155       379.2815 186.1373 12.85012 88.79004 38.71624 97.34729       40.79305 
1 1 1 4   39 1  o 71.60123 23.92599 162.0352       117.9994 218.0263       124.8110 -309.3413      362.1405 81.11213 24.31901 67.55701 32.31186 13.55511       40.44095 
1 1 1 4   39 2  o 81.71732 23.92324 221.5838       121.9516 221.5838       121.9516 0.000000       0.000000 81.71732 23.92324 ?        ?        0.000000       23.92324 
1 1 1 4   39 3  o 170.7469 12.43972 882.8334       123.7156 882.8334       123.7156 0.000000       0.000000 170.7469 12.43972 ?        ?        0.000000       12.43972 
1 1 1 4   39 4  o 49.68692 21.40549 7.149875       113.1280 7.149875       113.1280 0.000000       0.000000 49.68692 21.40549 ?        ?        0.000000       21.40549 
1 1 1 4   39 5  o 58.99101 22.75288 84.78575       111.3855 84.78575       111.3855 0.000000       0.000000 58.99101 22.75288 ?        ?        0.000000       22.75288 
1 1 1 4   39 6  o 63.98045 22.61406 121.6330       105.8713 121.6330       105.8713 0.000000       0.000000 63.98045 22.61406 ?        ?        0.000000       22.61406 
1 1 1 4   39 7  o 58.39935 21.20434 95.66553       93.75674 108.7355       98.14687 -40.70452      317.0284 61.07206 21.75483 73.58167 33.48550 -12.50960      39.93183 
1 1 1 4   39 8  o 183.3950 10.22288 1009.204       109.5190 979.9421       114.9354 1297.901       361.0122 180.4233 10.91305 189.2433 33.76630 -8.820023      35.48602 
1 1 1 4   39 9  o 196.6285 9.778458 1157.971       112.4094 1211.230       117.9546 631.1490       370.9785 200.9975 10.03807 122.7865 42.40399 78.21094       43.57592 
1 1 1 4   39 10 o 100.4229 15.45299 316.0718       88.09800 287.9469       90.59095 806.0883       378.1335 95.20555 16.84052 138.1852 42.51632 -42.97968      45.73008 
1 1 1 4   39 11 o 79.73578 17.01478 204.1124       77.14118 174.1443       78.84235 876.1667       373.3637 73.17233 18.39485 144.9942 41.68799 -71.82182      45.56599 
1 1 1 4   39 12 o 82.73073 15.31523 216.4302       71.57282 203.7039       74.85636 352.0198       244.3385 79.76765 16.54428 97.65635 34.36874 -17.88869      38.14346 
1 1 1 4   39 13 o 225.7822 12.95816 1554.576       170.8660 1625.878       236.1372 1476.217       247.5485 227.0620 17.87656 214.5312 19.90212 12.53085       26.75193 
1 1 1 4   39 14 o 108.8889 11.21102 361.0875       70.57249 211.9859       205.5108 381.0207       75.14194 81.07435 30.99864 111.7251 11.63824 -30.65076      33.11139 
1 1 1 4   39 15 o 133.4930 9.608001 536.6425       74.71835 484.3701       206.5702 544.5110       80.14488 114.4057 30.30808 134.2290 10.25845 -19.82322      31.99711 
1 1 1 4   39 16 o 212.1723 10.86587 1362.405       134.7581 0.000000       0.000000 1362.405       134.7581 ?        ?        212.1723 10.86587 0.000000       10.86587 
1 1 1 4   39 17 o 54.18229 24.42414 -28.24170      163.9226 40.98845       175.5002 -501.6232      458.9187 61.24656 26.52392 67.47424 33.18335 -6.227680      42.48121 
1 1 1 4   39 18 o 66.55464 28.15938 86.52543       189.5598 14.12581       206.1960 481.6605       481.7092 62.67648 27.88431 103.0513 44.28009 -40.37482      52.32840 
1 1 1 4   39 19 o 38.36594 19.25559 -477.2042      189.2865 -494.4786      207.5160 -391.6397      461.8465 40.67307 20.37764 69.56584 34.02070 -28.89277      39.65673 
1 1 1 4   39 20 o 149.6240 23.80627 771.9764       201.9104 974.2694       229.3120 74.03223       425.9384 168.2050 23.91882 81.37679 37.68013 86.82821       44.63073 
1 1 1 4   39 21 o 97.58517 31.77202 379.4143       208.5396 425.6130       242.5598 248.4966       408.3221 101.0290 34.30536 87.51542 39.06736 13.51355       51.99150 
1 1 1 4   39 22 o 68.42180 33.19476 -258.0460      415.9023 0.000000       0.000000 -258.0460      415.9023 ?        ?        68.42180 33.19476 0.000000       33.19476 
1 1 1 4   39 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   39 24 o 58.61832 26.37040 4.389885       189.9917 76.29321       211.5105 -296.0175      432.3274 65.93763 28.82856 67.64689 33.04646 -1.709259      43.85379 
1 1 1 4   39 25 o 127.8560 26.68931 606.1079       193.6539 588.9141       212.5384 690.1675       469.9431 122.5312 29.85457 106.8855 44.72656 15.64569       53.77510 
1 1 1 4   39 26 o 60.26907 27.03034 23.27831       197.9328 -11.91867      220.0911 172.1468       452.6382 60.29585 27.61451 81.77324 38.19292 -21.47739      47.13025 
1 1 1 4   39 27 o 48.84768 23.97432 -310.0898      235.6992 -289.4692      274.3644 -368.1759      460.4824 53.91083 26.33397 66.42591 32.77729 -12.51508      42.04556 
1 1 1 4   39 28 o 91.51455 34.19049 373.5442       246.6908 578.3613       288.3956 -185.0053      476.2516 109.1303 37.39892 71.26929 34.78752 37.86105       51.07691 
1 1 1 4   40 0  o 70.22494 25.03823 152.2103       130.0375 152.2103       130.0375 0.000000       0.000000 70.22494 25.03823 ?        ?        0.000000       25.03823 
1 1 1 4   40 1  o 98.58781 22.89850 325.7866       129.8576 325.7866       129.8576 0.000000       0.000000 98.58781 22.89850 ?        ?        0.000000       22.89850 
1 1 1 4   40 2  o 209.8556 11.45866 1329.600       140.4928 1329.600       140.4928 0.000000       0.000000 209.8556 11.45866 ?        ?        0.000000       11.45866 
1 1 1 4   40 3  o 182.0821 11.92564 1004.421       126.6492 1004.421       126.6492 0.000000       0.000000 182.0821 11.92564 ?        ?        0.000000       11.92564 
1 1 1 4   40 4  o 232.4800 10.17726 1621.670       138.4246 1621.670       138.4246 0.000000       0.000000 232.4800 10.17726 ?        ?        0.000000       10.17726 
1 1 1 4   40 5  o 230.7751 9.911036 1596.389       133.8274 1596.389       133.8274 0.000000       0.000000 230.7751 9.911036 ?        ?        0.000000       9.911036 
1 1 1 4   40 6  o 127.1199 15.42911 503.5906       112.6762 503.5906       112.6762 0.000000       0.000000 127.1199 15.42911 ?        ?        0.000000       15.42911 
1 1 1 4   40 7  o 123.6269 15.83488 478.4227       112.1770 478.4227       112.1770 0.000000       0.000000 123.6269 15.83488 ?        ?        0.000000       15.83488 
1 1 1 4   40 8  o 114.0009 16.49847 410.3064       107.1034 464.8234       112.6620 -101.6260      345.2376 121.5998 16.20040 72.17747 33.59225 49.42237       37.29467 
1 1 1 4   40 9  o 55.58270 21.12887 79.92289       95.12566 70.87501       98.36678 210.4747       373.6512 54.64739 21.29778 89.50191 38.73120 -34.85452      44.20070 
1 1 1 4   40 10 o 253.7283 8.110831 1918.157       120.5387 1948.831       126.6141 1621.340       393.8581 255.5742 8.458885 209.4373 33.16905 46.13690       34.23067 
1 1 1 4   40 11 o 236.1082 8.188707 1662.545       113.2189 1689.787       118.6895 1387.286       377.2742 237.8724 8.521578 190.6914 35.02489 47.18100       36.04665 
1 1 1 4   40 12 o 156.5170 9.235146 735.7675       84.39588 729.8895       89.97168 778.8293       243.5234 155.6111 9.910082 146.8278 29.30740 8.783295       30.93757 
1 1 1 4   40 13 o 111.8909 24.28911 433.4031       154.8066 391.2549       209.9489 483.6224       229.1710 101.1164 31.77228 111.4742 32.83833 -10.35776      45.69282 
1 1 1 4   40 14 o 182.7673 9.153050 1003.262       97.79810 653.5550       210.4167 1099.623       110.4533 135.1364 27.48646 190.9867 9.894835 -55.85027      29.21324 
1 1 1 4   40 15 o 78.37268 15.35587 196.9004       68.05589 -266.9908      197.8273 259.1702       72.47980 46.56354 22.65968 90.75540 14.07277 -44.19186      26.67404 
1 1 1 4   40 16 o 36.93496 14.93812 22.20821       50.13595 302.7365       198.4805 3.088842       51.81630 89.53088 31.01166 34.03903 14.57249 55.49185       34.26486 
1 1 1 4   40 17 o 73.05515 28.02486 171.7834       168.3425 197.0375       182.2401 24.89496       439.5129 76.56886 29.21170 80.30663 37.54953 -3.737770      47.57405 
1 1 1 4   40 18 o 92.21991 31.50568 332.7863       204.6313 317.1236       232.3771 386.8773       431.8390 89.81630 33.25495 95.33754 41.44475 -5.521240      53.13717 
1 1 1 4   40 19 o 50.67144 24.28183 -186.4025      206.6450 -361.3325      233.8656 436.5575       441.3309 47.83431 23.55652 97.06887 42.04922 -49.23456      48.19799 
1 1 1 4   40 20 o 103.5236 32.64423 440.3065       221.4425 478.4160       257.4081 331.7970       434.3498 105.0461 35.34087 90.99570 40.47773 14.05042       53.73475 
1 1 1 4   40 21 o 44.36868 21.94497 -362.3008      210.7458 -485.1448      243.5587 3.698469       420.4040 45.27807 22.59234 76.15136 35.95424 -30.87329      42.46318 
1 1 1 4   40 22 o 149.3113 26.12310 810.7985       220.4263 586.4390       247.1894 1681.855       487.0583 117.4996 33.96248 181.9325 45.71107 -64.43288      56.94692 
1 1 1 4   40 23 o 84.68412 32.28333 287.5007       222.4730 330.0823       241.4538 48.16288       572.4385 88.68829 33.67432 82.21637 39.65726 6.471924       52.02555 
1 1 1 4   40 24 o 98.03082 34.51081 429.1044       246.3761 429.1044       246.3761 0.000000       0.000000 98.03082 34.51081 ?        ?        0.000000       34.51081 
1 1 1 4   40 25 o 94.88470 41.95687 497.2206       459.8289 0.000000       0.000000 497.2206       459.8289 ?        ?        94.88470 41.95687 0.000000       41.95687 
1 1 1 4   40 26 o 54.90195 26.40141 -182.6895      249.1798 -300.1466      294.3495 114.3642       468.1027 55.48539 27.14006 79.42832 37.63155 -23.94294      46.39738 
1 1 1 4   40 27 o 53.94328 25.97723 -183.2804      243.2440 -60.43106      266.9959 -783.0501      589.9435 61.47617 28.91038 65.40679 32.97879 -3.930622      43.85671 
1 1 1 4   41 0  o 337.1096 8.717494 3392.764       172.2062 3111.399       183.5327 5463.573       497.9069 322.1180 9.726257 411.4958 20.69803 -89.37781      22.86938 
1 1 1 4   41 1  o 274.5925 16.53314 2356.817       265.0197 2356.817       265.0197 0.000000       0.000000 274.5925 16.53314 ?        ?        0.000000       16.53314 
1 1 1 4   41 2  o 56.77514 26.38360 -105.0598      211.7037 -105.0598      211.7037 0.000000       0.000000 56.77514 26.38360 ?        ?        0.000000       26.38360 
1 1 1 4   41 3  o 243.8505 16.59334 1862.056       235.8919 1862.056       235.8919 0.000000       0.000000 243.8505 16.59334 ?        ?        0.000000       16.59334 
1 1 1 4   41 4  o 112.8838 17.48370 407.6079       112.0091 407.6079       112.0091 0.000000       0.000000 112.8838 17.48370 ?        ?        0.000000       17.48370 
1 1 1 4   41 5  o 106.8325 18.64308 370.1689       112.5612 370.1689       112.5612 0.000000       0.000000 106.8325 18.64308 ?        ?        0.000000       18.64308 
1 1 1 4   41 6  o 103.9171 19.80515 355.1850       116.2972 355.1850       116.2972 0.000000       0.000000 103.9171 19.80515 ?        ?        0.000000       19.80515 
1 1 1 4   41 7  o 137.5486 14.87156 590.6685       118.0619 590.6685       118.0619 0.000000       0.000000 137.5486 14.87156 ?        ?        0.000000       14.87156 
1 1 1 4   41 8  o 184.1182 17.88621 1082.061       190.7062 1193.406       220.5261 751.8409       379.7762 191.6141 19.91386 127.1846 42.92730 64.42955       47.32140 
1 1 1 4   41 9  o 51.11454 21.67981 29.06576       112.8222 29.06576       112.8222 0.000000       0.000000 51.11454 21.67981 ?        ?        0.000000       21.67981 
1 1 1 4   41 10 o 179.9532 9.813309 976.2557       103.1761 940.8538       106.6936 1486.754       405.1558 176.3760 10.36013 192.0883 37.30931 -15.71230      38.72102 
1 1 1 4   41 11 o 115.0665 13.71214 412.4608       90.71617 412.4608       90.71617 0.000000       0.000000 115.0665 13.71214 ?        ?        0.000000       13.71214 
1 1 1 4   41 12 o 94.62272 15.72860 286.0203       84.22129 282.3279       88.72105 319.6763       267.8571 93.48169 16.80016 91.15294 35.24998 2.328751       39.04877 
1 1 1 4   41 13 o 66.44685 26.38900 122.1991       153.5281 71.33674       207.3560 183.9150       228.4110 66.66461 28.85062 77.55332 31.69133 -10.88871      42.85672 
1 1 1 4   41 14 f 163.1462 15.34203 838.6078       145.0717 598.0286       217.5865 1031.139       194.6493 125.8013 29.92850 177.9368 18.94335 -52.13556      35.41985 
1 1 1 4   41 15 o 184.5042 9.921745 1029.849       106.9657 0.000000       0.000000 1029.849       106.9657 ?        ?        184.5042 9.921745 0.000000       9.921745 
1 1 1 4   41 16 o 134.5118 11.12605 553.7951       86.98686 -11.61568      222.2050 656.1263       94.53138 61.79654 28.08778 146.5029 11.08443 -84.70639      30.19583 
1 1 1 4   41 17 o 60.63274 26.47093 44.50579       177.7706 89.35693       197.5060 -146.8733      407.9818 66.26093 28.41050 71.09336 34.08141 -4.832436      44.37003 
1 1 1 4   41 18 o 89.36839 30.04450 313.3583       186.0381 315.9927       211.3987 304.3123       391.7334 88.78601 31.89304 88.40040 38.92265 0.3856125      50.32036 
1 1 1 4   41 19 o 63.26395 27.85616 53.53269       200.6630 229.4766       229.5667 -516.1779      413.0940 79.57271 32.04232 61.11858 30.31673 18.45413       44.11139 
1 1 1 4   41 20 o 68.96751 29.71587 111.9373       218.0791 21.43955       264.6736 303.2782       384.8535 66.70047 30.44707 87.26749 38.49535 -20.56702      49.08070 
1 1 1 4   41 21 o 131.5567 27.46193 650.5175       205.0274 755.1501       238.8624 357.6637       399.6128 138.7930 30.20466 89.62585 39.39248 49.16714       49.63958 
1 1 1 4   41 22 o 100.2371 31.34933 419.0271       204.6368 285.9796       231.6874 891.0773       436.4086 83.74785 32.67256 120.7349 45.39874 -36.98707      55.93336 
1 1 1 4   41 23 o 61.12468 27.99789 -4.008860      226.3471 20.24519       262.2440 -74.85765      448.2080 65.56000 30.06927 73.03085 35.19266 -7.470856      46.28914 
1 1 1 4   41 24 o 67.06052 30.00200 74.11456       242.2176 44.64135       268.8535 201.1399       558.1450 67.23017 30.68798 83.98167 40.15310 -16.75150      50.53734 
1 1 1 4   41 25 o 51.96835 25.04835 -187.6977      227.3513 -141.0972      242.5449 -525.0800      652.6163 55.59524 26.55048 71.62928 35.92268 -16.03404      44.66953 
1 1 1 4   42 0  o 87.77583 24.17927 270.0101       128.4297 270.0101       128.4297 0.000000       0.000000 87.77583 24.17927 ?        ?        0.000000       24.17927 
1 1 1 4   42 1  o 85.34510 24.26371 255.2869       127.1749 255.2869       127.1749 0.000000       0.000000 85.34510 24.26371 ?        ?        0.000000       24.26371 
1 1 1 4   42 2  o 172.3260 13.02079 914.3652       130.6211 914.3652       130.6211 0.000000       0.000000 172.3260 13.02079 ?        ?        0.000000       13.02079 
1 1 1 4   42 3  o 50.62271 21.80153 18.42980       117.2792 18.42980       117.2792 0.000000       0.000000 50.62271 21.80153 ?        ?        0.000000       21.80153 
1 1 1 4   42 4  o 90.98809 21.87705 282.8571       115.2992 282.8571       115.2992 0.000000       0.000000 90.98809 21.87705 ?        ?        0.000000       21.87705 
1 1 1 4   42 5  o 125.2274 16.77546 501.1552       120.1076 501.1552       120.1076 0.000000       0.000000 125.2274 16.77546 ?        ?        0.000000       16.77546 
1 1 1 4   42 6  o 69.37126 23.15753 160.7614       110.5456 160.7614       110.5456 0.000000       0.000000 69.37126 23.15753 ?        ?        0.000000       23.15753 
1 1 1 4   42 7  o 101.2464 19.37092 339.4506       110.8327 339.4506       110.8327 0.000000       0.000000 101.2464 19.37092 ?        ?        0.000000       19.37092 
1 1 1 4   42 8  o 74.39946 22.15241 189.7311       103.8381 162.4953       107.9264 528.9368       380.8807 69.47578 22.87083 106.1188 41.74562 -36.64304      47.60012 
1 1 1 4   42 9  o 188.4380 10.33694 1075.687       113.8006 1080.174       118.0147 1016.211       429.6893 188.6093 10.71303 141.5402 45.56826 47.06912       46.81063 
1 1 1 4   42 10 o 81.10283 19.54124 221.3551       91.84265 206.2504       94.46478 482.1616       392.5295 77.88440 20.43076 101.7449 41.55712 -23.86047      46.30778 
1 1 1 4   42 11 o 183.2155 9.585841 1013.453       102.6430 1042.043       106.0877 594.5206       406.0983 185.6817 9.776381 108.4826 42.97125 77.19907       44.06933 
1 1 1 4   42 12 o 97.78481 28.43629 362.4887       172.8122 557.2993       226.3627 90.32256       267.5566 118.4592 31.88339 72.17572 31.95558 46.28351       45.14099 
1 1 1 4   42 13 o 147.0962 19.73635 718.4359       165.9700 544.3217       232.6404 898.9087       236.8503 115.6235 32.79866 157.9032 26.51485 -42.27972      42.17570 
1 1 1 4   42 14 o 129.3466 11.64270 515.1084       87.37586 345.0034       240.3118 541.0222       93.79544 91.51237 33.82973 132.2633 12.23030 -40.75091      35.97264 
1 1 1 4   42 15 o 140.0988 16.38077 631.5919       132.0544 545.5503       249.7934 664.9655       155.5709 112.8210 34.52707 141.5201 19.24184 -28.69907      39.52679 
1 1 1 4   42 16 o 75.25306 15.84062 185.3402       67.69598 249.9755       239.0088 179.7027       70.58649 81.55844 32.74585 73.68317 16.71916 7.875267       36.76712 
1 1 1 4   42 17 f 76.63300 30.60141 206.6985       207.5647 61.41766       244.5099 581.4525       392.7041 67.44125 30.16005 104.1300 41.91640 -36.68871      51.63926 
1 1 1 4   42 18 o 102.5613 30.36921 424.0631       195.5870 429.3154       222.9380 406.5110       407.5461 100.5575 32.85793 92.49832 40.23576 8.059204       51.94766 
1 1 1 4   42 19 o 97.82053 31.20212 396.7244       201.8075 236.0845       238.7609 798.5711       377.6302 79.44077 32.42464 120.7292 42.70588 -41.28839      53.62042 
1 1 1 4   42 20 o 172.5360 20.89528 1018.662       207.1327 1275.831       253.9321 507.3169       358.0678 190.1437 23.25453 98.23880 39.85245 91.90494       46.14099 
1 1 1 4   42 21 o 100.3324 30.23152 413.3481       192.5245 477.8054       232.6740 273.3985       342.8450 104.0807 33.53413 83.12248 36.51228 20.95823       49.57504 
1 1 1 4   42 22 f 84.27548 30.88681 291.4341       199.6055 457.6278       247.7353 -16.11018      337.0035 100.0760 34.64746 68.78313 32.38808 31.29286       47.42820 
1 1 1 4   42 23 o 133.0869 29.83570 708.9014       227.1068 368.0068       282.0536 1337.369       382.9685 88.89620 35.61348 167.6294 39.59089 -78.73324      53.25184 
1 1 1 4   43 0  o 149.8829 15.39867 709.8221       133.4354 674.6562       140.6343 1027.172       422.4736 145.0952 16.83913 142.5387 45.10796 2.556427       48.14857 
1 1 1 4   43 1  o 122.5088 18.49043 491.0768       128.7185 491.0768       128.7185 0.000000       0.000000 122.5088 18.49043 ?        ?        0.000000       18.49043 
1 1 1 4   43 2  o 53.40924 25.24269 -137.6526      208.2128 -137.6526      208.2128 0.000000       0.000000 53.40924 25.24269 ?        ?        0.000000       25.24269 
1 1 1 4   43 3  o 182.9027 15.92106 1059.605       169.0821 1059.605       169.0821 0.000000       0.000000 182.9027 15.92106 ?        ?        0.000000       15.92106 
1 1 1 4   43 4  o 175.6010 13.10483 954.3198       133.9880 954.3198       133.9880 0.000000       0.000000 175.6010 13.10483 ?        ?        0.000000       13.10483 
1 1 1 4   43 5  o 204.4943 11.81736 1280.951       141.1232 1280.951       141.1232 0.000000       0.000000 204.4943 11.81736 ?        ?        0.000000       11.81736 
1 1 1 4   43 6  o 119.9190 18.66451 473.3111       126.9973 473.3111       126.9973 0.000000       0.000000 119.9190 18.66451 ?        ?        0.000000       18.66451 
1 1 1 4   43 7  o 94.35466 22.31703 310.1267       121.5468 310.1267       121.5468 0.000000       0.000000 94.35466 22.31703 ?        ?        0.000000       22.31703 
1 1 1 4   43 8  o 54.33600 22.38703 59.25471       115.1818 59.25471       115.1818 0.000000       0.000000 54.33600 22.38703 ?        ?        0.000000       22.38703 
1 1 1 4   43 9  o 171.5199 11.81329 904.2066       118.1069 910.6973       123.9829 840.5591       388.2464 171.7446 12.39249 127.3584 43.39917 44.38618       45.13382 
1 1 1 4   43 10 o 115.9497 17.08154 437.1947       112.6812 437.1947       112.6812 0.000000       0.000000 115.9497 17.08154 ?        ?        0.000000       17.08154 
1 1 1 4   43 11 o 36.25093 16.85601 -59.03877      86.61191 -65.36016      88.77596 65.90068       394.6744 36.25104 16.92576 77.30803 35.95873 -41.05699      39.74307 
1 1 1 4   43 12 o 91.91189 29.94430 335.1373       185.2212 123.3661       238.1211 659.5527       294.7237 71.32411 30.89192 119.6783 37.64977 -48.35419      48.70129 
1 1 1 4   43 13 o 70.01614 20.01436 168.4090       86.29868 260.7228       241.7069 154.9218       92.38801 82.39006 32.98128 67.14515 21.07352 15.24491       39.13896 
1 1 1 4   43 14 o 92.96204 16.20303 281.8118       85.12943 585.0296       248.8371 241.6195       90.59598 116.6480 34.17957 84.52917 18.76431 32.11882       38.99157 
1 1 1 4   43 15 o 102.9798 13.63294 335.3643       80.31578 320.7339       245.9867 337.1101       84.97265 87.52924 33.79861 102.7792 14.49924 -15.24992      36.77736 
1 1 1 4   43 16 o 172.7595 10.40862 911.6567       104.9703 970.4653       273.3648 901.4855       113.6860 156.6393 30.85534 171.1176 11.39312 -14.47826      32.89157 
1 1 1 4   43 17 o 55.77727 26.18796 -85.90476      217.5380 -130.9033      279.0039 -16.13319      347.4164 60.03610 28.61713 69.74834 32.85556 -9.712246      43.57096 
1 1 1 4   43 18 o 78.55336 31.22031 236.8042       215.0439 250.2984       299.7840 222.5005       308.6455 81.01093 34.87215 79.44418 34.77702 1.566750       49.24945 
1 1 1 4   43 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   43 20 o 107.7896 31.37761 489.1711       210.3152 503.9435       268.7574 465.8331       337.8057 102.7796 36.05531 95.05574 38.65409 7.723885       52.85947 
1 1 1 4   43 21 o 64.06201 28.49511 68.74015       215.2201 33.80497       271.3369 128.0057       353.4097 66.11516 30.42005 74.89410 34.55216 -8.778946      46.03511 
1 1 1 4   44 0  o 72.75625 25.83417 185.5930       138.3035 185.5930       138.3035 0.000000       0.000000 72.75625 25.83417 ?        ?        0.000000       25.83417 
1 1 1 4   44 1  o 49.36933 21.91499 -3.596045      126.6462 -3.596045      126.6462 0.000000       0.000000 49.36933 21.91499 ?        ?        0.000000       21.91499 
1 1 1 4   44 2  o 46.59605 21.20224 -36.98359      127.0508 -36.98359      127.0508 0.000000       0.000000 46.59605 21.20224 ?        ?        0.000000       21.20224 
1 1 1 4   44 3  o 68.12837 29.57846 94.55993       219.3704 94.55993       219.3704 0.000000       0.000000 68.12837 29.57846 ?        ?        0.000000       29.57846 
1 1 1 4   44 4  o 102.5047 22.32510 367.5138       130.4016 367.5138       130.4016 0.000000       0.000000 102.5047 22.32510 ?        ?        0.000000       22.32510 
1 1 1 4   44 5  o 103.0543 22.04776 370.3699       129.2253 370.3699       129.2253 0.000000       0.000000 103.0543 22.04776 ?        ?        0.000000       22.04776 
1 1 1 4   44 6  o 40.71338 19.24426 -101.2277      121.0732 -101.2277      121.0732 0.000000       0.000000 40.71338 19.24426 ?        ?        0.000000       19.24426 
1 1 1 4   44 7  o 115.6906 22.38333 467.3520       146.3790 467.3520       146.3790 0.000000       0.000000 115.6906 22.38333 ?        ?        0.000000       22.38333 
1 1 1 4   44 8  o 82.64630 22.88366 244.1773       114.7050 244.1773       114.7050 0.000000       0.000000 82.64630 22.88366 ?        ?        0.000000       22.88366 
1 1 1 4   44 9  o 105.4915 19.63363 376.6400       117.0009 376.6400       117.0009 0.000000       0.000000 105.4915 19.63363 ?        ?        0.000000       19.63363 
1 1 1 4   44 10 f 146.1159 12.69855 664.7861       107.7388 642.4237       112.1984 929.4338       385.9776 143.0644 13.53311 132.3942 43.23270 10.67014       45.30134 
1 1 1 4   44 11 o 47.54947 23.16058 -251.1973      207.9738 -24.82899      249.4421 -767.3824      376.6732 62.60329 28.93383 52.87072 26.61883 9.732571       39.31576 
1 1 1 4   44 12 o 89.23963 21.73013 281.2195       112.6518 237.8543       254.8609 291.7493       125.5860 79.87460 33.14163 89.63650 23.57790 -9.761894      40.67290 
1 1 1 4   44 13 o 137.9688 22.05133 663.6744       172.4245 878.1815       269.5732 515.1552       224.3093 146.5421 32.24329 110.0835 32.50377 36.45862       45.78345 
1 1 1 4   44 14 o 109.2657 15.18708 384.9608       94.69430 29.92964       256.9348 440.7654       101.8649 65.56255 29.95469 117.0048 15.20387 -51.44221      33.59227 
1 1 1 4   44 15 o 143.4832 10.83133 633.0099       90.47211 345.0096       272.8958 668.5726       95.89539 87.90820 35.09354 147.2529 11.18783 -59.34473      36.83374 
1 1 1 4   44 16 o 89.80836 16.03570 264.7740       81.36153 438.1124       277.2441 248.4390       85.10891 95.86720 36.15523 86.11478 17.45029 9.752426       40.14615 
1 1 1 4   44 17 o 65.21071 28.46288 90.40581       205.4276 272.8033       298.0932 -74.56246      283.4933 81.99281 35.02343 62.35098 29.46454 19.64183       45.76898 
1 1 1 4   44 18 o 92.19860 32.92727 378.6403       224.9836 555.0757       317.3266 200.3056       319.0299 102.6112 38.68456 77.42863 34.55070 25.18260       51.86758 
1 1 1 4   45 0  o 58.59100 24.42736 76.01147       139.4085 76.01147       139.4085 0.000000       0.000000 58.59100 24.42736 ?        ?        0.000000       24.42736 
1 1 1 4   45 1  o 63.75395 24.63438 126.2501       130.7399 126.2501       130.7399 0.000000       0.000000 63.75395 24.63438 ?        ?        0.000000       24.63438 
1 1 1 4   45 2  o 143.1832 16.93172 667.3376       139.4340 667.3376       139.4340 0.000000       0.000000 143.1832 16.93172 ?        ?        0.000000       16.93172 
1 1 1 4   45 3  o 63.38468 24.42767 124.8309       128.3121 124.8309       128.3121 0.000000       0.000000 63.38468 24.42767 ?        ?        0.000000       24.42767 
1 1 1 4   45 4  o 91.54291 24.35768 307.1799       133.0526 307.1799       133.0526 0.000000       0.000000 91.54291 24.35768 ?        ?        0.000000       24.35768 
1 1 1 4   45 5  o 108.3052 21.01906 405.5395       128.6933 405.5395       128.6933 0.000000       0.000000 108.3052 21.01906 ?        ?        0.000000       21.01906 
1 1 1 4   45 6  o 68.42088 23.78873 163.6491       116.8426 163.6491       116.8426 0.000000       0.000000 68.42088 23.78873 ?        ?        0.000000       23.78873 
1 1 1 4   45 7  o 108.2656 19.10721 395.8566       116.8879 395.8566       116.8879 0.000000       0.000000 108.2656 19.10721 ?        ?        0.000000       19.10721 
1 1 1 4   45 8  o 84.19524 21.35676 250.5178       105.6005 250.5178       105.6005 0.000000       0.000000 84.19524 21.35676 ?        ?        0.000000       21.35676 
1 1 1 4   45 9  o 65.02304 21.96762 145.9435       99.45525 145.9435       99.45525 0.000000       0.000000 65.02304 21.96762 ?        ?        0.000000       21.96762 
1 1 1 4   45 10 o 76.61352 22.22020 210.7923       105.6448 203.4041       109.2701 316.6269       413.5663 75.03869 22.81075 85.87758 38.74566 -10.83889      44.96172 
1 1 1 4   45 11 o 80.70538 29.61578 258.3187       183.6066 288.0204       266.7962 231.5955       253.0655 83.11849 34.14033 78.49841 32.83287 4.620087       47.36623 
1 1 1 4   45 12 o 93.75846 21.25446 309.8934       114.1659 204.7601       289.0015 329.3335       124.2736 77.40246 33.77248 95.76719 22.50914 -18.36473      40.58622 
1 1 1 4   45 13 o 96.50535 18.09060 313.3538       98.62852 440.5165       291.0026 296.8507       104.8333 95.09630 36.75042 92.65595 19.88697 2.440346       41.78619 
1 1 1 4   45 14 o 77.05954 20.43309 209.0932       93.83551 166.4342       304.0566 213.5838       98.65085 75.26605 33.64790 77.49822 21.12881 -2.232170      39.73170 
1 1 1 4   45 15 o 115.9187 13.27539 425.4998       88.62472 -146.6422      302.7515 479.1224       92.68478 60.67558 29.15812 123.2412 13.01996 -62.56562      31.93298 
1 1 1 4   46 0  o 87.17589 26.64078 294.0221       148.7836 294.0221       148.7836 0.000000       0.000000 87.17589 26.64078 ?        ?        0.000000       26.64078 
1 1 1 4   46 1  o 76.56213 27.01631 222.3462       151.0538 222.3462       151.0538 0.000000       0.000000 76.56213 27.01631 ?        ?        0.000000       27.01631 
1 1 1 4   46 2  o 124.2247 21.63885 539.7589       151.9236 539.7589       151.9236 0.000000       0.000000 124.2247 21.63885 ?        ?        0.000000       21.63885 
1 1 1 4   46 3  o 57.54488 24.43655 66.26140       143.6319 66.26140       143.6319 0.000000       0.000000 57.54488 24.43655 ?        ?        0.000000       24.43655 
1 1 1 4   46 4  o 94.38331 35.73840 421.2142       271.5141 421.2142       271.5141 0.000000       0.000000 94.38331 35.73840 ?        ?        0.000000       35.73840 
1 1 1 4   46 5  o 87.88577 25.46689 293.1031       138.8288 293.1031       138.8288 0.000000       0.000000 87.88577 25.46689 ?        ?        0.000000       25.46689 
1 1 1 4   46 6  o 77.10004 25.52338 223.5177       134.3506 223.5177       134.3506 0.000000       0.000000 77.10004 25.52338 ?        ?        0.000000       25.52338 
1 1 1 4   46 7  o 140.0300 15.43398 632.2591       124.6506 632.2591       124.6506 0.000000       0.000000 140.0300 15.43398 ?        ?        0.000000       15.43398 
1 1 1 4   46 8  o 148.9645 12.92110 696.1873       111.7687 696.1873       111.7687 0.000000       0.000000 148.9645 12.92110 ?        ?        0.000000       12.92110 
1 1 1 4   46 9  o 48.25668 20.32577 37.35009       98.04313 37.35009       98.04313 0.000000       0.000000 48.25668 20.32577 ?        ?        0.000000       20.32577 
1 1 1 4   46 10 o 78.03793 32.54867 235.9615       247.6676 235.9615       247.6676 0.000000       0.000000 78.03793 32.54867 ?        ?        0.000000       32.54867 
1 1 1 4   46 11 o 89.61323 21.92661 289.1030       114.2792 478.7905       278.1239 250.5722       125.3497 98.21453 36.37824 81.62791 24.34742 16.58662       43.77412 
1 1 1 4   47 0  o 111.7390 23.50177 455.3276       149.1220 455.3276       149.1220 0.000000       0.000000 111.7390 23.50177 ?        ?        0.000000       23.50177 
1 1 1 4   47 1  o 83.01014 27.99492 276.0515       161.5173 276.0515       161.5173 0.000000       0.000000 83.01014 27.99492 ?        ?        0.000000       27.99492 
1 1 1 4   47 2  o 51.20057 23.48595 -31.25735      160.0453 -31.25735      160.0453 0.000000       0.000000 51.20057 23.48595 ?        ?        0.000000       23.48595 
1 1 1 4   47 3  o 42.70246 20.46449 -137.9683      146.8350 -137.9683      146.8350 0.000000       0.000000 42.70246 20.46449 ?        ?        0.000000       20.46449 
1 1 1 4   47 4  o 48.59842 22.00099 -16.25272      134.6873 -16.25272      134.6873 0.000000       0.000000 48.59842 22.00099 ?        ?        0.000000       22.00099 
1 1 1 5   0  0  o 268.6122 9.066956 2123.966       142.4668 2123.966       142.4668 2123.966       142.4668 268.6122 9.066956 268.6122 9.066956 0.000000       0.000000 
1 1 1 5   0  1  o 339.8515 14.13026 3408.108       280.5276 3408.108       280.5276 3408.108       280.5276 339.8515 14.13026 339.8515 14.13026 0.000000       0.000000 
1 1 1 5   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  5  o 916.5280 22.21519 24750.09       1192.531 24750.09       1192.531 24750.09       1192.531 916.5280 22.21519 916.5280 22.21519 0.000000       0.000000 
1 1 1 5   0  6  o 28.53656 17.31737 21.81146       53.82791 21.81146       53.82791 21.81146       53.82791 28.53656 17.31737 28.53656 17.31737 0.000000       0.000000 
1 1 1 5   0  7  o 220.2447 6.498298 1426.591       83.77196 1426.591       83.77196 1426.591       83.77196 220.2447 6.498298 220.2447 6.498298 0.000000       0.000000 
1 1 1 5   0  8  o 29.21188 17.25987 27.99910       50.76216 27.99910       50.76216 27.99910       50.76216 29.21188 17.25987 29.21188 17.25987 0.000000       0.000000 
1 1 1 5   0  9  f 138.9134 7.970968 571.7980       64.44580 571.7980       64.44580 571.7980       64.44580 138.9134 7.970968 138.9134 7.970968 0.000000       0.000000 
1 1 1 5   0  10 o 93.88378 10.79506 268.8670       57.40117 268.8670       57.40117 268.8670       57.40117 93.88378 10.79506 93.88378 10.79506 0.000000       0.000000 
1 1 1 5   0  11 o 292.7435 6.985179 2518.626       119.7723 2518.626       119.7723 2518.626       119.7723 292.7435 6.985179 292.7435 6.985179 0.000000       0.000000 
1 1 1 5   0  12 o 244.7318 6.930680 1761.330       99.29524 1761.330       99.29524 1761.330       99.29524 244.7318 6.930680 244.7318 6.930680 0.000000       0.000000 
1 1 1 5   0  13 o 1048.764 17.83494 32360.11       1096.268 32360.11       1096.268 32360.11       1096.268 1048.764 17.83494 1048.764 17.83494 0.000000       0.000000 
1 1 1 5   0  14 o 594.0540 10.71436 10365.77       373.0129 10365.77       373.0129 10365.77       373.0129 594.0540 10.71436 594.0540 10.71436 0.000000       0.000000 
1 1 1 5   0  15 o 142.2993 9.753993 602.3948       80.50940 602.3948       80.50940 602.3948       80.50940 142.2993 9.753993 142.2993 9.753993 0.000000       0.000000 
1 1 1 5   0  16 o 844.1049 14.56994 20933.57       720.7970 20933.57       720.7970 20933.57       720.7970 844.1049 14.56994 844.1049 14.56994 0.000000       0.000000 
1 1 1 5   0  17 o 323.7838 7.847180 3080.519       148.8136 3080.519       148.8136 3080.519       148.8136 323.7838 7.847180 323.7838 7.847180 0.000000       0.000000 
1 1 1 5   0  18 o 18.25193 13.34280 -218.0068      88.22964 -218.0068      88.22964 -218.0068      88.22964 18.25193 13.34280 18.25193 13.34280 0.000000       0.000000 
1 1 1 5   0  19 o 748.2169 13.26457 16447.33       581.6522 16447.33       581.6522 16447.33       581.6522 748.2169 13.26457 748.2169 13.26457 0.000000       0.000000 
1 1 1 5   0  20 o 638.8082 11.78437 11988.22       441.1576 11988.22       441.1576 11988.22       441.1576 638.8082 11.78437 638.8082 11.78437 0.000000       0.000000 
1 1 1 5   0  21 o 331.6034 8.694455 3232.670       168.8249 3232.670       168.8249 3232.670       168.8249 331.6034 8.694455 331.6034 8.694455 0.000000       0.000000 
1 1 1 5   0  22 o 101.4426 19.12793 332.6581       101.9948 332.6581       101.9948 332.6581       101.9948 101.4426 19.12793 101.4426 19.12793 0.000000       0.000000 
1 1 1 5   0  23 f 120.6657 13.32789 442.9774       91.38504 442.9774       91.38504 442.9774       91.38504 120.6657 13.32789 120.6657 13.32789 0.000000       0.000000 
1 1 1 5   0  24 o 504.8147 9.852685 7488.689       291.4498 7488.689       291.4498 7488.689       291.4498 504.8147 9.852685 504.8147 9.852685 0.000000       0.000000 
1 1 1 5   0  25 o 298.5010 8.631335 2621.682       150.8174 2621.682       150.8174 2621.682       150.8174 298.5010 8.631335 298.5010 8.631335 0.000000       0.000000 
1 1 1 5   0  26 o 341.5761 8.308467 3430.698       166.2180 3430.698       166.2180 3430.698       166.2180 341.5761 8.308467 341.5761 8.308467 0.000000       0.000000 
1 1 1 5   0  27 o 47.10461 24.08619 96.21397       84.07519 96.21397       84.07519 96.21397       84.07519 47.10461 24.08619 47.10461 24.08619 0.000000       0.000000 
1 1 1 5   0  28 o 488.6835 9.550193 7022.605       273.4740 7022.605       273.4740 7022.605       273.4740 488.6835 9.550193 488.6835 9.550193 0.000000       0.000000 
1 1 1 5   0  29 o 463.7260 12.59585 6340.264       341.9909 6340.264       341.9909 6340.264       341.9909 463.7260 12.59585 463.7260 12.59585 0.000000       0.000000 
1 1 1 5   0  30 o 67.83679 22.90463 175.4504       81.47643 175.4504       81.47643 175.4504       81.47643 67.83679 22.90463 67.83679 22.90463 0.000000       0.000000 
1 1 1 5   0  31 o 182.5064 9.346850 986.4080       99.44256 986.4080       99.44256 986.4080       99.44256 182.5064 9.346850 182.5064 9.346850 0.000000       0.000000 
1 1 1 5   0  32 o 85.74643 20.70170 251.4184       90.24836 251.4184       90.24836 251.4184       90.24836 85.74643 20.70170 85.74643 20.70170 0.000000       0.000000 
1 1 1 5   0  33 o 18.56894 13.62493 -264.1847      98.10410 -264.1847      98.10410 -264.1847      98.10410 18.56894 13.62493 18.56894 13.62493 0.000000       0.000000 
1 1 1 5   0  34 o 183.7049 11.46937 1004.222       122.4525 1004.222       122.4525 1004.222       122.4525 183.7049 11.46937 183.7049 11.46937 0.000000       0.000000 
1 1 1 5   0  35 o 31.45885 21.00137 -34.10122      105.9560 -34.10122      105.9560 -34.10122      105.9560 31.45885 21.00137 31.45885 21.00137 0.000000       0.000000 
1 1 1 5   0  36 o 217.3698 10.92600 1400.878       138.4803 1400.878       138.4803 1400.878       138.4803 217.3698 10.92600 217.3698 10.92600 0.000000       0.000000 
1 1 1 5   0  37 o 31.05615 21.19816 -70.29628      120.2042 -70.29628      120.2042 -70.29628      120.2042 31.05615 21.19816 31.05615 21.19816 0.000000       0.000000 
1 1 1 5   0  38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  39 o 42.65591 26.91493 29.00197       142.9893 29.00197       142.9893 29.00197       142.9893 42.65591 26.91493 42.65591 26.91493 0.000000       0.000000 
1 1 1 5   0  40 o 63.08335 31.20745 179.7683       138.7431 179.7683       138.7431 179.7683       138.7431 63.08335 31.20745 63.08335 31.20745 0.000000       0.000000 
1 1 1 5   0  41 o 77.91380 28.96757 246.8197       123.0070 246.8197       123.0070 246.8197       123.0070 77.91380 28.96757 77.91380 28.96757 0.000000       0.000000 
1 1 1 5   0  42 o 35.90973 23.43097 -4.929861      120.4961 -4.929861      120.4961 -4.929861      120.4961 35.90973 23.43097 35.90973 23.43097 0.000000       0.000000 
1 1 1 5   0  43 o 48.39987 27.32616 100.7725       118.6751 100.7725       118.6751 100.7725       118.6751 48.39987 27.32616 48.39987 27.32616 0.000000       0.000000 
1 1 1 5   0  44 o 38.26762 24.37902 21.54600       120.6099 21.54600       120.6099 21.54600       120.6099 38.26762 24.37902 38.26762 24.37902 0.000000       0.000000 
1 1 1 5   0  45 o 298.4104 10.02410 2648.446       174.9834 2648.446       174.9834 2648.446       174.9834 298.4104 10.02410 298.4104 10.02410 0.000000       0.000000 
1 1 1 5   0  46 o 29.02874 20.03578 -76.63258      114.4367 -76.63258      114.4367 -76.63258      114.4367 29.02874 20.03578 29.02874 20.03578 0.000000       0.000000 
1 1 1 5   0  47 o 31.34117 21.23361 -45.34127      116.0237 -45.34127      116.0237 -45.34127      116.0237 31.34117 21.23361 31.34117 21.23361 0.000000       0.000000 
1 1 1 5   0  48 o 53.60135 29.66955 138.0951       136.5528 138.0951       136.5528 138.0951       136.5528 53.60135 29.66955 53.60135 29.66955 0.000000       0.000000 
1 1 1 5   0  49 o 56.65678 30.92901 159.1970       146.1739 159.1970       146.1739 159.1970       146.1739 56.65678 30.92901 56.65678 30.92901 0.000000       0.000000 
1 1 1 5   0  50 o 27.75708 19.84278 -197.4464      147.1502 -197.4464      147.1502 -197.4464      147.1502 27.75708 19.84278 27.75708 19.84278 0.000000       0.000000 
1 1 1 5   0  51 o 40.14814 26.44813 3.469994       159.1032 3.469994       159.1032 3.469994       159.1032 40.14814 26.44813 40.14814 26.44813 0.000000       0.000000 
1 1 1 5   1  0  o 285.5575 7.458892 2394.254       124.8092 2518.810       218.8403 2334.210       151.9428 292.5390 12.78625 281.8551 9.204210 10.68396       15.75454 
1 1 1 5   1  1  o 560.9116 13.85221 9245.449       455.6843 9389.790       651.5340 9107.232       637.5629 564.3223 19.71637 555.7757 19.59083 8.546631       27.79453 
1 1 1 5   1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   1  5  o 665.8098 11.71058 13021.27       457.2769 12785.81       630.1855 13283.12       664.5569 659.2421 16.29945 671.6509 16.88428 -12.40881      23.46808 
1 1 1 5   1  6  o 437.7528 6.860349 5622.796       176.1269 5764.521       311.3703 5556.114       213.5791 442.7860 12.00144 435.0823 8.370217 7.703735       14.63199 
1 1 1 5   1  7  o 175.0071 4.741766 899.0790       48.62347 888.6596       68.52633 909.6443       69.00411 173.8939 6.731995 175.9399 6.699685 -2.046005      9.497660 
1 1 1 5   1  8  o 420.9996 5.762917 5200.403       142.2900 5073.108       195.5920 5343.506       207.3822 415.7014 8.022673 426.6199 8.288573 -10.91852      11.53533 
1 1 1 5   1  9  o 95.46688 7.123484 269.0220       39.59622 317.8858       55.97294 220.0723       56.02211 103.6091 9.310678 85.76579 11.42133 17.84328       14.73552 
1 1 1 5   1  10 o 432.7619 5.900790 5496.137       149.7648 5565.561       215.1869 5430.918       208.5670 435.3098 8.428822 430.0248 8.269923 5.284973       11.80833 
1 1 1 5   1  11 o 278.3289 4.861141 2272.785       79.35002 2248.086       111.5054 2298.125       112.9441 276.7422 6.870212 279.8046 6.882691 -3.062439      9.724774 
1 1 1 5   1  12 o 751.3347 9.235047 16579.96       406.9332 16471.54       569.9844 16692.68       581.1591 748.2883 12.98804 753.2636 13.15520 -4.975342      18.48644 
1 1 1 5   1  13 o 396.5486 5.726664 4613.494       133.1829 4570.702       185.9198 4658.597       190.8763 394.6100 8.033540 398.3795 8.169669 -3.769470      11.45780 
1 1 1 5   1  14 o 586.3739 7.493495 10089.44       257.6971 9955.985       357.8783 10233.15       371.3737 582.2927 10.47957 590.3233 10.72681 -8.030579      14.99620 
1 1 1 5   1  15 o 283.5307 5.224986 2357.995       86.88319 2366.368       121.8720 2349.343       123.8958 283.9008 7.325709 282.8699 7.474811 1.030884       10.46608 
1 1 1 5   1  16 o 445.0645 6.247406 5810.711       163.0697 6035.082       239.8124 5617.738       222.4013 453.4837 9.016944 437.5360 8.667083 15.94772       12.50694 
1 1 1 5   1  17 o 388.0027 5.882731 4416.068       133.8641 4358.407       186.2999 4477.616       192.4760 385.3989 8.242363 390.6289 8.401596 -5.230011      11.76960 
1 1 1 5   1  18 o 648.9590 8.266658 12358.26       314.6283 12261.15       440.0873 12459.79       449.9809 646.1853 11.61265 651.3858 11.77891 -5.200500      16.54075 
1 1 1 5   1  19 o 1125.729 13.52639 37234.52       893.0306 37901.41       1294.443 36628.83       1233.624 1134.572 19.45362 1115.499 18.85658 19.07288       27.09269 
1 1 1 5   1  20 o 170.9529 9.030282 860.1867       90.21631 962.3012       132.9632 773.0706       122.8109 180.5454 12.63705 161.6830 13.06269 18.86244       18.17495 
1 1 1 5   1  21 o 464.5742 6.702420 6332.581       182.6153 6311.073       256.4205 6354.715       260.1337 463.6538 9.429927 465.2483 9.533694 -1.594452      13.40951 
1 1 1 5   1  22 o 543.3480 7.274821 8663.845       231.8200 8642.618       327.7025 8685.107       327.9837 542.4727 10.30033 543.8058 10.28390 -1.333130      14.55526 
1 1 1 5   1  23 o 384.4339 6.155619 4336.594       138.7854 4390.553       198.6375 4285.132       193.9895 386.6882 8.758904 382.0235 8.658401 4.664764       12.31610 
1 1 1 5   1  24 o 216.7973 6.697590 1380.820       85.05537 1357.525       121.6992 1403.064       118.9218 214.7391 9.688268 218.3507 9.307944 -3.611572      13.43504 
1 1 1 5   1  25 o 286.7034 5.901622 2412.382       99.23267 2340.057       137.9389 2489.962       142.8629 282.1333 8.345638 291.0346 8.378700 -8.901306      11.82592 
1 1 1 5   1  26 o 463.2140 6.577112 6299.572       178.6765 6317.864       252.8529 6281.329       252.5208 463.6050 9.299708 462.2608 9.314500 1.344208       13.16224 
1 1 1 5   1  27 o 536.0529 7.139456 8440.338       224.4519 8467.184       318.2942 8413.784       316.5588 536.4546 10.11685 534.7644 10.09349 1.690186       14.29088 
1 1 1 5   1  28 o 380.8571 8.255715 4264.166       184.4027 4228.664       271.4889 4294.572       251.2546 378.5051 12.24621 381.6421 11.23778 -3.136993      16.62099 
1 1 1 5   1  29 o 330.7066 5.658482 3211.282       109.7472 3157.630       153.3431 3267.623       157.1384 327.7193 7.978325 333.3719 8.037162 -5.652557      11.32474 
1 1 1 5   1  30 o 228.5624 5.850737 1535.278       78.36257 1628.220       112.4633 1447.572       109.2494 235.1424 8.167500 221.6680 8.418905 13.47437       11.72971 
1 1 1 5   1  31 o 242.1793 5.797142 1722.621       82.33823 1668.979       114.6201 1779.818       118.3575 238.0459 8.222467 245.8325 8.220860 -7.786621      11.62719 
1 1 1 5   1  32 o 253.5681 5.914069 1888.577       87.94913 1884.650       124.4078 1892.500       124.3500 252.9523 8.397709 253.4820 8.376159 -0.5296936     11.86093 
1 1 1 5   1  33 o 36.99504 16.39639 -23.50507      70.61874 -81.23971      101.7805 30.08925       98.06315 39.97401 18.47759 50.88101 20.77534 -10.90700      27.80353 
1 1 1 5   1  34 o 300.3597 6.411510 2650.741       112.9412 2617.424       160.9525 2683.059       158.5213 298.0096 9.220189 301.7672 8.966995 -3.757690      12.86153 
1 1 1 5   1  35 o 138.0378 9.862635 564.4426       79.31778 644.6632       114.8190 491.2147       109.7006 146.9686 13.47073 127.8428 14.91090 19.12579       20.09466 
1 1 1 5   1  36 o 118.2672 11.95910 417.7522       81.81083 518.6007       123.2728 338.3723       109.3673 130.9693 16.40807 104.9104 18.44853 26.05885       24.68954 
1 1 1 5   1  37 o 354.7546 9.543159 3716.390       198.3700 3729.019       246.3715 3693.112       334.4917 354.6843 11.86067 351.3102 16.27895 3.374054       20.14149 
1 1 1 5   1  38 o 204.3597 8.094622 1232.712       96.82384 1206.785       136.9523 1258.622       136.9069 201.4922 11.63891 205.8470 11.38479 -4.354797      16.28121 
1 1 1 5   1  39 o 83.17634 19.07209 217.0158       91.04744 285.0582       130.1993 151.9000       127.3684 94.60414 23.55711 72.50550 24.85377 22.09864       34.24393 
1 1 1 5   1  40 o 190.6022 9.715894 1077.974       108.2495 1014.697       149.4211 1147.868       157.0387 183.7526 13.96995 195.5618 13.78039 -11.80925      19.62291 
1 1 1 5   1  41 o 56.42532 20.21192 86.04179       84.83836 63.27303       121.3058 107.8413       118.6959 58.50736 23.38378 64.23475 23.77011 -5.727390      33.34395 
1 1 1 5   1  42 o 171.3179 9.288226 874.2661       92.97340 856.3585       127.7404 894.4385       135.5778 168.2842 13.04477 171.7964 13.56628 -3.512268      18.82047 
1 1 1 5   1  43 o 111.0470 13.92364 378.8946       88.69166 318.2441       126.6852 437.1975       124.2093 98.26760 22.47185 117.4352 18.65791 -19.16756      29.20790 
1 1 1 5   1  44 o 167.7799 9.211456 841.2585       90.29202 887.2656       138.2786 807.0619       119.2159 170.2894 13.96842 163.0144 12.56669 7.275040       18.78932 
1 1 1 5   1  45 o 153.5910 13.24935 722.8358       118.1813 752.2350       130.7641 591.7518       276.1185 156.0807 14.44929 122.9003 36.00255 33.18039       38.79388 
1 1 1 5   1  46 o 147.4677 10.84778 658.8890       93.16191 686.4432       98.78067 437.1442       280.2235 150.3380 11.28586 104.2763 36.79690 46.06164       38.48873 
1 1 1 5   1  47 o 46.68040 19.31702 32.34627       86.26334 77.09969       89.91153 -485.8064      305.9364 53.99257 20.53757 53.70989 26.54237 0.2826805      33.56023 
1 1 1 5   1  48 o 41.49818 18.55364 -20.52436      92.47121 26.03456       136.3823 -60.14158      125.8052 54.14635 23.41543 44.94492 20.69185 9.201435       31.24796 
1 1 1 5   1  49 o 75.19017 21.63266 195.5406       100.5063 216.0115       140.9124 174.3421       143.3949 77.65546 26.14824 71.74325 26.19728 5.912216       37.01389 
1 1 1 5   1  50 o 71.43887 23.24585 178.6170       111.6407 181.1677       156.7070 175.9883       159.0875 72.53795 27.21959 71.98167 27.33312 0.5562744      38.57468 
1 1 1 5   1  51 o 42.91333 19.84724 -59.60536      117.6673 -91.06976      172.0805 -31.97373      161.2595 50.02223 23.42366 52.22594 23.81141 -2.203716      33.40136 
1 1 1 5   2  0  o 528.8746 13.17119 8217.838       408.5341 8366.153       583.9642 8075.667       571.7387 532.7819 18.71809 523.4483 18.65384 9.333557       26.42598 
1 1 1 5   2  1  o 352.5767 9.983291 3652.178       206.2245 3482.455       283.0329 3844.255       301.0955 343.9532 14.06059 361.3905 14.23401 -17.43735      20.00768 
1 1 1 5   2  2  o 844.1736 28.07244 21101.20       1387.899 21101.20       1387.899 0.000000       0.000000 844.1736 28.07244 ?        ?        0.000000       28.07244 
1 1 1 5   2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   2  4  o 710.8680 17.60986 14872.69       734.1678 14872.69       734.1678 0.000000       0.000000 710.8680 17.60986 ?        ?        0.000000       17.60986 
1 1 1 5   2  5  o 797.3111 19.50193 18730.77       911.9182 18730.77       911.9182 0.000000       0.000000 797.3111 19.50193 ?        ?        0.000000       19.50193 
1 1 1 5   2  6  o 291.8604 5.604697 2498.960       95.93514 2508.807       165.7531 2494.000       117.6424 292.1488 9.687415 291.5385 6.880459 0.6103821      11.88220 
1 1 1 5   2  7  o 974.1840 11.71391 27889.09       669.2577 28099.88       956.6329 27687.02       936.6307 976.7788 16.69931 969.6338 16.47063 7.145020       23.45525 
1 1 1 5   2  8  o 397.5977 5.550106 4638.226       129.4183 4691.646       185.4835 4587.545       180.6618 399.7651 7.911338 395.3118 7.792487 4.453247       11.10460 
1 1 1 5   2  9  o 901.5328 10.89958 23893.12       576.2908 23569.28       799.8330 24242.74       831.0604 894.3304 15.24933 906.9070 15.62497 -12.57660      21.83305 
1 1 1 5   2  10 o 163.8551 5.007415 788.4805       48.06337 744.2607       66.63374 836.4397       69.39400 159.0608 7.161364 168.6511 7.031303 -9.590332      10.03615 
1 1 1 5   2  11 f 742.5917 9.126395 16199.18       397.4659 15746.39       540.7064 16731.47       586.2557 731.5505 12.60279 753.9499 13.25849 -22.39935      18.29256 
1 1 1 5   2  12 o 239.5929 4.902845 1684.072       68.89262 1705.517       97.61196 1662.787       97.24682 240.9621 6.914378 237.9181 6.976968 3.043976       9.822764 
1 1 1 5   2  13 o 140.7737 6.222677 582.5834       51.24775 682.0851       73.86149 490.2161       71.16427 152.2104 8.305615 128.8629 9.482785 23.34752       12.60581 
1 1 1 5   2  14 o 493.3874 6.561968 7141.985       189.8771 7090.155       265.6642 7196.111       271.4840 491.4714 9.216886 495.1228 9.349336 -3.651398      13.12863 
1 1 1 5   2  15 o 600.9728 7.681080 10597.20       270.7246 10528.60       378.9370 10668.73       386.9124 598.8493 10.78944 602.8111 10.94412 -3.961792      15.36834 
1 1 1 5   2  16 o 575.5364 7.450880 9718.460       251.4959 9608.771       350.4118 9834.989       361.1699 572.1324 10.44315 578.8166 10.63947 -6.684204      14.90831 
1 1 1 5   2  17 o 361.1988 5.730193 3826.944       121.3853 3765.815       167.7560 3894.122       175.8601 358.2485 7.984416 364.2933 8.231247 -6.044830      11.46753 
1 1 1 5   2  18 o 948.2341 11.50834 26402.24       639.9982 26339.44       901.3976 26466.08       908.8363 946.4701 16.23899 948.7276 16.33404 -2.257507      23.03271 
1 1 1 5   2  19 o 456.5215 6.810889 6114.511       182.3541 6166.258       261.4208 6065.470       254.4940 458.3293 9.725501 454.5767 9.545963 3.752625       13.62757 
1 1 1 5   2  20 o 516.1465 7.266247 7816.935       219.9549 7773.262       310.9636 7860.664       311.1630 514.5411 10.30478 517.4290 10.25384 -2.887817      14.53719 
1 1 1 5   2  21 o 640.2068 8.235947 12029.34       309.2319 11850.53       430.0516 12220.77       444.9698 635.1623 11.54477 644.9867 11.76330 -9.824402      16.48202 
1 1 1 5   2  22 o 502.7332 6.955132 7416.603       205.0659 7332.987       286.1891 7504.833       293.9818 499.7184 9.765113 505.5289 9.915713 -5.810486      13.91685 
1 1 1 5   2  23 o 343.4372 6.045981 3460.940       121.7768 3373.868       171.6198 3549.237       172.8234 338.8663 8.642570 347.6829 8.475565 -8.816589      12.10493 
1 1 1 5   2  24 f 461.1238 6.595901 6240.857       178.3784 6302.353       254.3538 6181.341       250.2271 463.1799 9.363497 458.7170 9.301199 4.462860       13.19801 
1 1 1 5   2  25 o 597.2388 7.773368 10474.87       272.2750 10612.66       390.9255 10345.06       379.4413 600.7007 11.09648 593.1086 10.90837 7.592102       15.56035 
1 1 1 5   2  26 o 57.51477 16.57200 99.88712       58.94112 114.9230       80.30431 82.32742       86.78283 62.59248 19.64746 57.09759 20.44347 5.494884       28.35416 
1 1 1 5   2  27 f 182.3062 7.733939 978.2637       82.50207 1044.016       163.0657 955.6415       95.64720 187.4135 14.95990 180.0523 9.087188 7.361267       17.50359 
1 1 1 5   2  28 o 306.3362 5.631075 2755.042       101.1673 2688.941       141.3358 2824.493       144.8741 302.3557 7.977435 309.8880 7.978053 -7.532318      11.28223 
1 1 1 5   2  29 o 205.0149 6.129130 1235.531       73.61171 1216.392       102.6715 1255.776       105.5954 203.1738 8.636214 206.4304 8.741886 -3.256531      12.28840 
1 1 1 5   2  30 o 137.6468 10.07665 561.0996       80.78178 660.2127       92.31315 237.0638       166.9147 149.2953 10.61225 88.90045 28.37893 60.39485       30.29824 
1 1 1 5   2  31 o 175.7114 6.900576 908.8024       70.97257 991.5972       100.0913 825.0779       100.6518 183.2736 9.342891 167.0020 10.32712 16.27164       13.92620 
1 1 1 5   2  32 o 263.9639 5.984966 2046.689       92.65242 2104.361       134.5601 1994.696       127.7645 267.2781 8.595428 260.2425 8.382010 7.035583       12.00581 
1 1 1 5   2  33 o 102.2533 13.17242 314.0744       77.16076 354.7935       112.4175 277.8034       106.0999 107.6901 18.46373 94.77687 19.73044 12.91319       27.02221 
1 1 1 5   2  34 o 207.3540 7.661573 1266.099       93.01082 1314.873       136.6121 1223.955       126.9888 210.8398 11.08703 203.4641 10.67949 7.375732       15.39394 
1 1 1 5   2  35 o 78.11010 17.78020 188.9761       79.61581 321.1999       115.2360 68.22041       110.1253 101.9071 19.99564 58.38213 22.59542 43.52492       30.17248 
1 1 1 5   2  36 o 355.9782 7.955254 3730.050       166.0841 3654.302       191.5456 3959.511       333.3809 351.9831 9.287088 364.4754 15.63266 -12.49231      18.18324 
1 1 1 5   2  37 o 215.3884 7.581133 1367.521       95.61571 1380.798       139.1527 1355.646       131.6048 215.8085 11.03102 213.9346 10.52142 1.873871       15.24414 
1 1 1 5   2  38 o 244.1207 7.268981 1756.213       103.9548 1679.254       145.8557 1835.666       148.2010 238.0730 10.47193 249.0049 10.16968 -10.93192      14.59739 
1 1 1 5   2  39 o 35.03447 16.39040 -79.86195      83.93442 10.60819       125.6764 -152.7068      112.7718 53.73373 22.83968 37.45031 17.94400 16.28341       29.04545 
1 1 1 5   2  40 o 150.3637 11.21420 674.8835       98.17998 649.4382       137.4592 701.3833       140.2786 146.0549 16.32647 151.9602 15.97905 -5.905350      22.84477 
1 1 1 5   2  41 o 167.4006 13.87419 846.5739       134.9895 618.2661       286.3246 911.8231       153.0685 132.5313 35.93913 173.2685 15.21756 -40.73720      39.02813 
1 1 1 5   2  42 o 219.6257 7.908546 1429.650       101.7000 1294.462       138.9357 1585.699       149.2708 207.7543 11.44709 230.1527 11.09145 -22.39848      15.93914 
1 1 1 5   2  43 o 88.11102 16.11945 244.3870       80.22871 157.1662       116.0462 324.2451       111.0403 70.75096 23.72847 100.4237 19.55714 -29.67275      30.74934 
1 1 1 5   2  44 o 51.62250 19.36521 67.58257       79.30473 46.31604       82.32876 341.2208       295.3191 48.61373 19.31862 98.26128 37.25718 -49.64754      41.96792 
1 1 1 5   2  45 o 62.31075 20.31303 122.9506       85.22701 135.4249       89.81863 10.21768       270.0132 64.94415 20.82665 70.61158 31.62731 -5.667427      37.86867 
1 1 1 5   2  46 f 42.02898 18.20864 0.9889704      82.77622 12.06538       85.85929 -144.9860      311.6929 44.10052 18.81588 66.29733 31.19602 -22.19682      36.43115 
1 1 1 5   2  47 o 45.45368 19.25355 19.43681       88.78678 -8.299695      92.69971 327.3311       308.8541 43.01212 18.93635 92.59677 37.20816 -49.58466      41.74964 
1 1 1 5   2  48 o 72.39625 21.13866 178.6679       95.32393 169.2345       99.68405 279.4821       325.8758 70.50558 21.85337 87.93063 37.04762 -17.42505      43.01274 
1 1 1 5   2  49 o 188.7166 10.82774 1084.780       119.3360 981.5930       169.1199 1187.109       168.4155 175.1055 16.66897 194.2872 14.89400 -19.18172      22.35366 
1 1 1 5   2  50 o 76.99305 23.48048 211.2787       115.6559 158.6682       159.3132 269.9018       168.1705 69.91194 27.14426 84.14275 28.56464 -14.23080      39.40494 
1 1 1 5   2  51 o 56.19685 23.01849 72.27081       120.8551 -129.6139      172.2064 268.2111       169.6521 47.88877 22.72839 83.41483 28.68099 -35.52606      36.59480 
1 1 1 5   3  0  o 508.5838 12.75759 7603.221       380.2233 7693.946       541.3616 7514.899       534.1450 510.9889 18.09303 505.0047 18.06397 5.984161       25.56687 
1 1 1 5   3  1  o 886.3958 20.62782 23148.28       1072.338 22760.95       1495.727 23557.91       1538.193 876.4344 29.13981 891.5612 29.45818 -15.12683      41.43565 
1 1 1 5   3  2  o 760.1559 17.93632 17006.11       799.6253 17110.34       1135.235 16903.47       1126.497 760.6607 25.48344 756.0538 25.44169 4.606934       36.00952 
1 1 1 5   3  3  o 918.6168 30.40814 25039.74       1635.972 25039.74       1635.972 0.000000       0.000000 918.6168 30.40814 ?        ?        0.000000       30.40814 
1 1 1 5   3  4  o 764.0425 18.78362 17192.53       841.6806 17192.53       841.6806 0.000000       0.000000 764.0425 18.78362 ?        ?        0.000000       18.78362 
1 1 1 5   3  5  o 426.2091 8.393541 5331.751       209.8063 5167.750       284.0171 5528.743       311.2746 419.2697 11.56153 433.6115 12.25259 -14.34180      16.84622 
1 1 1 5   3  6  o 624.2031 9.042864 11439.05       331.0414 11142.89       553.2076 11604.26       413.1847 615.3832 15.32823 628.4936 11.20967 -13.11041      18.98977 
1 1 1 5   3  7  o 114.1268 6.859788 383.6156       45.70245 394.1284       82.94534 379.0326       54.76570 115.1152 12.48564 113.3245 8.297647 1.790672       14.99141 
1 1 1 5   3  8  o 180.7473 4.809755 959.1057       50.94003 988.8244       73.81026 932.0762       70.39144 183.4198 6.873676 178.0787 6.752191 5.341049       9.635326 
1 1 1 5   3  9  o 89.29826 7.274559 235.6481       37.76806 254.2499       54.49862 218.4591       52.38810 92.45152 10.22178 85.55026 10.67295 6.901260       14.77825 
1 1 1 5   3  10 o 222.1098 4.558781 1447.293       59.38366 1412.301       82.60738 1484.714       85.42587 219.2641 6.430877 224.8164 6.485823 -5.552307      9.133569 
1 1 1 5   3  11 o 304.8900 4.914938 2727.241       87.88441 2644.957       121.6091 2817.196       127.1507 300.1823 6.907652 309.7981 6.998249 -9.615723      9.833166 
1 1 1 5   3  12 o 180.1509 5.182387 952.9197       54.69720 966.4327       78.21597 939.9866       76.51900 181.3057 7.371231 178.8074 7.312241 2.498276       10.38287 
1 1 1 5   3  13 o 520.6002 6.805925 7952.647       207.7983 7932.902       292.5761 7972.746       295.1836 519.7864 9.597619 521.0858 9.659006 -1.299377      13.61656 
1 1 1 5   3  14 o 576.2703 7.398224 9744.185       250.0370 9713.141       351.9071 9775.836       355.3290 575.1732 10.43227 577.0219 10.49997 -1.848633      14.80140 
1 1 1 5   3  15 o 565.0341 7.329941 9367.062       242.8990 9186.770       335.1256 9566.600       352.5591 559.4284 10.21439 570.8574 10.53061 -11.42902      14.67064 
1 1 1 5   3  16 o 585.4669 7.546601 10056.85       259.1220 9832.837       356.0769 10309.02       377.7942 578.7626 10.49042 592.5881 10.87056 -13.82544      15.10688 
1 1 1 5   3  17 o 321.0455 5.612190 3023.347       105.6694 3011.002       148.0347 3036.171       150.8844 320.3412 7.879527 321.6743 7.997924 -1.333099      11.22737 
1 1 1 5   3  18 o 647.9432 8.312398 12319.84       315.8740 12169.46       439.4972 12480.51       454.2968 643.7557 11.64084 651.9117 11.88230 -8.156006      16.63425 
1 1 1 5   3  19 o 499.7006 7.187985 7326.332       210.6529 7333.471       298.5399 7319.253       297.2805 499.8012 10.18485 499.3183 10.15169 0.4828796      14.38013 
1 1 1 5   3  20 o 143.1593 10.38216 604.9027       86.57584 716.0856       134.1102 525.4611       113.3619 155.3559 14.90168 132.8748 14.79780 22.48108       21.00083 
1 1 1 5   3  21 o 1155.092 13.84794 39223.32       938.1065 38978.33       1314.995 39477.21       1338.689 1150.063 19.49629 1157.332 19.72291 -7.269409      27.73262 
1 1 1 5   3  22 o 381.5189 6.149935 4270.711       137.6059 4302.272       195.4632 4239.698       193.7563 382.8165 8.706104 380.0230 8.693514 2.793488       12.30339 
1 1 1 5   3  23 o 294.1665 5.921278 2539.104       102.1549 2502.810       144.0199 2575.854       144.9220 291.8415 8.423250 296.0780 8.354337 -4.236542      11.86365 
1 1 1 5   3  24 o 521.8304 7.110086 7993.560       217.5979 8027.920       310.0360 7960.202       305.4746 522.6672 10.11431 520.4698 10.00758 2.197388       14.22853 
1 1 1 5   3  25 o 101.0579 11.01241 303.8959       64.21377 266.3062       98.52569 331.6539       84.66594 93.27753 18.66245 105.1718 14.07986 -11.89426      23.37798 
1 1 1 5   3  26 o 409.5948 6.173965 4925.016       148.3095 4894.622       207.3316 4956.864       212.2372 408.1115 8.662357 410.6827 8.811798 -2.571167      12.35655 
1 1 1 5   3  27 o 312.9523 5.716551 2875.094       104.9211 2817.031       147.3130 2934.870       149.4722 309.4979 8.122850 315.9146 8.074139 -6.416656      11.45305 
1 1 1 5   3  28 o 435.1428 6.344787 5560.843       161.9196 5500.641       225.7679 5624.607       232.3517 432.4647 8.901457 437.2874 9.060003 -4.822662      12.70116 
1 1 1 5   3  29 o 372.2642 5.943067 4069.747       129.7515 4175.090       187.4751 3972.896       179.7606 376.7614 8.484509 367.5440 8.339396 9.217438       11.89674 
1 1 1 5   3  30 o 127.0899 8.574980 477.3652       63.53964 481.8520       95.15484 473.7548       85.35851 127.0586 12.95041 126.1860 11.66617 0.8726196      17.43023 
1 1 1 5   3  31 o 347.7812 6.624803 3554.200       135.1231 3397.274       212.5881 3660.573       175.0276 339.2815 10.69723 352.7144 8.461214 -13.43292      13.63902 
1 1 1 5   3  32 o 322.1387 6.062345 3048.370       114.5339 3191.208       168.5187 2925.746       156.1396 329.1747 8.736856 315.2203 8.453574 13.95438       12.15712 
1 1 1 5   3  33 o 119.4809 11.64193 425.1995       80.54477 421.0426       120.2082 428.5862       108.5039 117.6468 17.99313 119.1698 15.92301 -1.523010      24.02696 
1 1 1 5   3  34 o 256.5746 6.745274 1936.012       101.4114 2229.529       151.7718 1699.266       136.3063 274.9834 9.424895 239.9806 9.704787 35.00279       13.52818 
1 1 1 5   3  35 o 305.2883 6.517048 2739.282       116.6841 2764.340       168.7899 2716.346       161.4849 306.1588 9.411639 303.5465 9.081231 2.612244       13.07852 
1 1 1 5   3  36 o 406.1218 6.650599 4849.526       158.4045 5238.621       239.4667 4546.814       211.2186 421.4662 9.687951 392.7681 9.169496 28.69809       13.33927 
1 1 1 5   3  37 o 206.6368 7.581560 1258.826       91.72333 1190.777       128.0786 1330.470       131.4187 200.3806 10.94009 211.9094 10.60814 -11.52881      15.23871 
1 1 1 5   3  38 o 250.2041 7.098372 1844.385       104.0554 1862.611       149.5330 1827.274       144.8898 250.8178 10.18668 248.4752 9.962897 2.342590       14.24878 
1 1 1 5   3  39 o 255.5313 7.098749 1924.508       106.2810 2057.978       153.8484 1802.666       146.9938 263.6077 9.969370 246.6367 10.18418 16.97096       14.25152 
1 1 1 5   3  40 o 136.3182 12.04250 556.9969       95.28751 453.8212       135.5904 657.6740       133.9385 120.6286 19.85612 147.1456 15.76608 -26.51704      25.35419 
1 1 1 5   3  41 o 169.1304 9.573673 851.0874       94.57444 858.6960       136.0642 843.9755       131.5470 168.5631 13.88662 167.2290 13.52818 1.334091       19.38684 
1 1 1 5   3  42 o 157.3038 28.88027 834.8063       256.6193 834.8063       256.6193 0.000000       0.000000 157.3038 28.88027 ?        ?        0.000000       28.88027 
1 1 1 5   3  43 o 35.93468 16.20683 -31.22898      72.28304 -27.93005      74.40609 -86.57495      304.7650 36.89913 16.55906 70.63296 32.40323 -33.73383      36.38918 
1 1 1 5   3  44 o 55.74434 19.37422 91.09779       77.49738 117.5571       80.01897 -308.9878      311.1575 61.24990 19.65925 61.41647 29.52602 -0.1665649     35.47213 
1 1 1 5   3  45 o 32.81177 15.63426 -97.12193      83.11091 -76.96153      86.31776 -353.4225      307.7694 35.23075 16.52689 58.76091 28.51887 -23.53016      32.96155 
1 1 1 5   3  46 o 128.5763 12.23909 506.3186       91.17935 475.1813       94.76492 894.5886       334.6372 124.0888 13.22517 147.6995 38.31074 -23.61076      40.52922 
1 1 1 5   3  47 o 49.50029 19.93884 49.07051       88.92103 57.82256       92.37370 -61.48452      328.3089 51.33727 20.44287 70.40993 32.76580 -19.07265      38.62005 
1 1 1 5   3  48 o 35.80005 17.00044 -98.86616      96.60928 -138.5864      101.1182 316.9573       327.1734 34.31754 16.58133 90.41748 37.53606 -56.09994      41.03531 
1 1 1 5   3  49 o 68.36362 22.25043 159.1048       102.2810 136.4241       106.8786 405.8491       352.5211 64.58672 22.73067 95.60484 39.25362 -31.01812      45.36001 
1 1 1 5   3  50 o 60.29612 23.00379 108.0626       113.0141 8.994011       162.8556 200.0876       156.9595 55.69994 24.78078 74.93023 27.40092 -19.23029      36.94452 
1 1 1 5   3  51 o 50.18895 21.89508 16.66735       121.4277 109.4247       167.6313 -85.73775      176.1334 64.78384 26.87900 50.87631 23.78271 13.90752       35.89008 
1 1 1 5   4  0  o 491.8936 12.39836 7112.279       357.3877 6978.129       497.6923 7255.098       513.5246 486.6514 17.46615 496.1992 17.67457 -9.547791      24.84868 
1 1 1 5   4  1  o 742.4682 17.54373 16223.15       763.9242 16482.68       1092.739 15975.05       1068.377 746.5999 24.99140 735.0427 24.81903 11.55725       35.22150 
1 1 1 5   4  2  f 831.9531 19.46553 20388.29       949.7639 20150.17       1329.950 20636.11       1356.790 824.7762 27.53328 834.6041 27.75787 -9.827942      39.09707 
1 1 1 5   4  3  o 76.92216 18.30664 181.2262       81.38696 181.2262       81.38696 0.000000       0.000000 76.92216 18.30664 ?        ?        0.000000       18.30664 
1 1 1 5   4  4  o 355.1983 8.592090 3703.240       178.9865 3703.240       178.9865 0.000000       0.000000 355.1983 8.592090 ?        ?        0.000000       8.592090 
1 1 1 5   4  5  o 452.3470 8.738784 6006.677       231.8319 5951.610       320.8568 6066.829       335.3423 449.8763 12.17214 454.1674 12.60207 -4.291107      17.52065 
1 1 1 5   4  6  o 301.0465 5.702349 2658.954       100.6788 2755.098       177.0463 2613.005       122.3947 306.1255 9.874279 298.3954 6.993912 7.730103       12.10026 
1 1 1 5   4  7  o 659.4670 9.483538 12773.51       366.7871 12730.94       632.6996 12795.05       450.1463 657.3070 16.41265 659.7536 11.63379 -2.446594      20.11766 
1 1 1 5   4  8  o 330.9341 5.069775 3213.194       98.39672 3194.137       139.9112 3231.844       138.4090 329.8594 7.232242 331.8067 7.112603 -1.947235      10.14369 
1 1 1 5   4  9  o 568.3665 7.237875 9483.863       241.2626 9188.452       327.2045 9835.827       357.1530 559.1505 9.977921 578.4401 10.52799 -19.28961      14.50508 
1 1 1 5   4  10 o 343.1505 5.139968 3454.932       103.4417 3433.173       145.7864 3476.993       146.7960 341.9698 7.269068 344.1451 7.273145 -2.175232      10.28290 
1 1 1 5   4  11 o 56.84304 11.44749 98.39406       36.84129 115.1132       56.54482 86.06137       48.56400 61.34284 15.66439 53.32362 14.93672 8.019218       21.64437 
1 1 1 5   4  12 o 476.6924 6.357792 6667.793       177.7441 6578.229       246.9055 6764.139       256.0817 473.3314 8.894364 479.9591 9.097537 -6.627655      12.72301 
1 1 1 5   4  13 o 524.4086 6.860771 8069.162       211.0053 8079.526       298.4754 8058.808       298.3377 524.5834 9.701601 523.9099 9.709593 0.6735229      13.72579 
1 1 1 5   4  14 o 718.9726 8.897370 15171.22       375.1669 15152.25       529.5391 15190.34       531.5991 718.2138 12.57169 719.1127 12.60482 -0.8988647     17.80250 
1 1 1 5   4  15 o 169.4773 6.885440 844.0340       68.29497 1062.423       123.7206 748.3231       81.90439 189.9020 11.15783 159.4457 8.792828 30.45628       14.20602 
1 1 1 5   4  16 o 295.8698 5.433260 2567.702       94.27826 2536.899       131.9904 2599.788       134.7104 293.9489 7.662853 297.5695 7.725553 -3.620636      10.88134 
1 1 1 5   4  17 o 496.7011 6.798516 7237.862       198.0431 6955.414       266.4718 7586.377       296.0002 486.8141 9.333349 508.3867 9.927670 -21.57260      13.62608 
1 1 1 5   4  18 o 252.6235 6.601564 1873.538       97.72343 1752.040       137.6346 1997.059       138.7761 244.1259 9.631997 260.6957 9.090660 -16.56982      13.24445 
1 1 1 5   4  19 o 828.2622 10.30906 20140.56       500.7690 20158.47       708.2727 20122.67       708.1160 828.1389 14.58300 827.4018 14.59276 0.7370605      20.63038 
1 1 1 5   4  20 o 561.6227 7.650524 9255.908       251.9918 9513.128       368.1858 9029.248       345.6237 569.1547 11.03027 554.5202 10.62761 14.63446       15.31708 
1 1 1 5   4  21 o 617.4720 8.048842 11190.03       291.4749 11302.45       417.2842 11082.92       407.3122 620.2891 11.47063 614.2507 11.30658 6.038391       16.10634 
1 1 1 5   4  22 o 675.4581 8.567030 13394.12       339.3745 13345.26       477.1848 13444.12       482.7598 673.8452 12.07469 676.3243 12.17098 -2.479187      17.14441 
1 1 1 5   4  23 o 470.8187 6.719255 6505.639       185.5348 6477.321       260.8268 6534.645       263.9732 469.5998 9.470517 471.6672 9.542751 -2.067413      13.44451 
1 1 1 5   4  24 o 564.8782 7.469273 9368.115       247.4478 9402.956       350.8778 9333.644       349.0177 565.5860 10.57808 563.4997 10.56096 2.086304       14.94756 
1 1 1 5   4  25 f 283.5870 5.806441 2360.280       96.57103 2352.818       136.5967 2367.737       136.5474 282.8967 8.241858 283.7955 8.212670 -0.8987732     11.63513 
1 1 1 5   4  26 o 243.7160 6.387459 1745.062       91.21962 1763.418       117.7718 1717.537       144.2167 244.8448 8.213247 241.4288 10.20839 3.416000       13.10223 
1 1 1 5   4  27 o 252.9324 5.971970 1878.272       88.58755 1851.263       125.4629 1905.126       125.1013 250.8035 8.542116 254.4457 8.394815 -3.642242      11.97667 
1 1 1 5   4  28 o 266.7598 5.756431 2089.352       90.05840 2103.511       127.3779 2075.200       127.3458 267.3710 8.132692 265.5580 8.186412 1.813049       11.53941 
1 1 1 5   4  29 o 294.7869 5.721486 2551.788       98.91622 2465.023       139.0373 2640.710       140.7558 289.4037 8.200018 299.5709 8.018755 -10.16721      11.46912 
1 1 1 5   4  30 o 218.0136 6.167073 1397.311       78.77284 1384.709       112.7273 1409.338       110.1216 216.7304 8.887528 218.6887 8.602883 -1.958221      12.36923 
1 1 1 5   4  31 o 267.6357 6.023304 2104.080       94.54301 2099.572       135.2400 2108.389       132.2192 266.9649 8.649161 267.5552 8.436723 -0.5903015     12.08248 
1 1 1 5   4  32 o 329.9338 6.210991 3197.956       120.1817 3409.419       178.9363 3024.165       162.2163 340.2108 8.975926 320.4536 8.639234 19.75726       12.45807 
1 1 1 5   4  33 o 283.9463 9.523234 2376.989       158.3639 2300.092       190.9301 2546.526       283.4991 278.9284 11.69759 292.3421 16.60347 -13.41376      20.31031 
1 1 1 5   4  34 o 222.6447 7.580982 1459.387       98.84493 1503.407       144.9964 1421.169       135.1031 225.4935 10.99726 219.2999 10.53534 6.193619       15.22935 
1 1 1 5   4  35 o 56.10190 19.16011 87.04612       75.68037 71.15292       118.4673 98.00420       98.36938 60.16130 23.39365 61.16355 21.78032 -1.002251      31.96319 
1 1 1 5   4  36 o 264.7773 6.805005 2063.038       105.5844 2154.864       157.7059 1988.442       142.1418 270.0717 9.973897 259.5366 9.353698 10.53513       13.67371 
1 1 1 5   4  37 o 144.4786 9.961569 619.2889       83.89097 545.6528       124.2295 681.0176       113.7425 134.2738 16.09588 150.9568 12.97323 -16.68294      20.67322 
1 1 1 5   4  38 o 114.6566 12.08320 394.0609       80.03127 363.5168       114.6117 423.1263       111.8032 108.4455 18.69547 117.7648 16.65185 -9.319336      25.03607 
1 1 1 5   4  39 o 370.9142 6.752355 4050.398       146.8856 3944.446       204.2224 4163.951       211.4198 365.1857 9.543581 375.1915 9.616130 -10.00574      13.54806 
1 1 1 5   4  40 o 32.81020 15.56631 -94.71147      80.63235 -24.11683      118.6772 -155.2409      109.8916 48.56501 21.40177 36.48504 17.54190 12.07997       27.67226 
1 1 1 5   4  41 o 299.6031 7.404337 2650.751       130.1017 2581.920       141.4850 3027.608       331.0588 295.3509 8.175979 314.3539 18.03275 -19.00296      19.79967 
1 1 1 5   4  42 o 45.24752 18.15583 34.51694       73.42667 59.55387       76.12311 -300.2266      278.3442 50.01676 18.92686 58.69607 28.14155 -8.679314      33.91420 
1 1 1 5   4  43 f 43.26822 17.89459 22.00126       73.96793 55.05164       76.28429 -497.5574      302.4574 49.07170 18.85489 54.81487 26.95393 -5.743168      32.89409 
1 1 1 5   4  44 o 167.0603 9.492940 835.3880       92.62611 833.0265       96.38125 863.9348       335.0995 166.6738 9.904613 149.0347 38.17354 17.63908       39.43755 
1 1 1 5   4  45 o 70.57437 19.81046 163.9489       85.33190 167.4809       88.37993 115.3764       327.7490 71.24401 20.21784 81.31010 35.70832 -10.06609      41.03468 
1 1 1 5   4  46 o 197.7508 8.951718 1171.390       103.5494 1173.713       108.8168 1149.116       336.9003 197.7290 9.410731 173.3988 34.34384 24.33020       35.60984 
1 1 1 5   4  47 o 125.4711 13.49663 488.8720       97.75619 472.6855       101.9243 674.7230       345.3697 122.8837 14.41655 121.4146 40.93658 1.469101       43.40093 
1 1 1 5   4  48 o 145.3696 13.07302 654.9732       110.2659 671.5609       116.4536 511.2110       342.8334 146.8421 13.67970 104.9031 40.05518 41.93902       42.32673 
1 1 1 5   4  49 o 164.9380 12.05907 837.2222       115.8439 850.4563       122.1516 718.9169       365.2190 165.8518 12.65377 119.7872 42.02991 46.06451       43.89340 
1 1 1 5   4  50 o 121.2312 16.32725 474.5353       113.1370 476.0360       117.6522 456.1011       412.3434 120.9343 17.06174 96.38844 41.18276 24.54585       44.57715 
1 1 1 5   4  51 o 43.74559 20.02161 -42.95155      115.4454 -45.53862      162.8827 -40.34008      163.6490 51.44429 23.63296 51.90576 23.78688 -0.4614716     33.53107 
1 1 1 5   5  0  o 299.0341 8.886951 2627.062       155.6833 2511.848       213.9143 2756.811       227.0074 292.1249 12.51493 306.0487 12.67476 -13.92377      17.81216 
1 1 1 5   5  1  o 935.3754 21.68808 25807.80       1189.755 25793.93       1680.908 25821.72       1684.232 931.8563 30.79935 932.3414 30.84428 -0.4851074     43.58864 
1 1 1 5   5  2  o 685.5401 16.34759 13828.59       657.2597 14155.48       945.4365 13522.84       914.3538 691.9825 23.32965 676.3824 23.08385 15.60004       32.81976 
1 1 1 5   5  3  o 503.3342 12.67586 7449.801       373.8857 7708.304       540.7170 7212.972       517.5519 511.2713 18.06138 494.5798 17.87235 16.69144       25.40933 
1 1 1 5   5  4  o 202.4067 7.961183 1204.300       94.32029 1204.300       94.32029 0.000000       0.000000 202.4067 7.961183 ?        ?        0.000000       7.961183 
1 1 1 5   5  5  o 137.6257 9.509234 558.8477       76.28116 616.5682       98.82461 473.7645       119.9836 144.3711 11.77385 125.7502 16.68004 18.62088       20.41684 
1 1 1 5   5  6  o 278.2885 5.701147 2272.263       93.04822 2239.673       157.0458 2289.892       115.5050 275.9657 9.718499 279.2346 7.058777 -3.268982      12.01148 
1 1 1 5   5  7  o 381.1634 6.331626 4263.792       141.5393 4269.318       244.9521 4261.022       173.4208 380.9433 10.97547 380.9618 7.761921 -0.1849365E-01 13.44278 
1 1 1 5   5  8  o 286.6329 5.586484 2410.838       93.91072 2437.822       166.7757 2398.309       113.6395 287.8549 9.893605 285.8413 6.778816 2.013611       11.99316 
1 1 1 5   5  9  o 429.3753 5.867287 5410.382       147.7491 5320.051       205.0690 5507.887       213.0576 425.6191 8.215394 433.0537 8.388892 -7.434662      11.74164 
1 1 1 5   5  10 o 213.8543 4.693705 1341.707       58.86867 1314.513       82.61413 1369.758       83.90665 211.5213 6.667951 215.9268 6.633683 -4.405457      9.405707 
1 1 1 5   5  11 o 390.7692 5.542425 4480.274       127.0196 4499.584       179.9016 4461.079       179.3652 391.5009 7.835231 389.8215 7.845521 1.679352       11.08797 
1 1 1 5   5  12 o 992.4956 11.93818 28946.49       694.8921 28807.32       976.4845 29089.28       989.0884 989.0753 16.83393 993.8702 16.96895 -4.794922      23.90243 
1 1 1 5   5  13 o 750.8823 9.226582 16550.52       406.3154 16455.31       569.6096 16649.15       579.7582 748.3425 12.97856 752.7189 13.13299 -4.376343      18.46397 
1 1 1 5   5  14 o 861.9942 10.47741 21813.35       529.6740 21665.25       740.8580 21968.20       757.5657 858.5897 14.71292 864.5414 14.94115 -5.951721      20.96921 
1 1 1 5   5  15 o 570.1450 7.393487 9537.180       247.2209 9531.201       348.1307 9543.262       351.1349 569.8184 10.41730 570.1741 10.50065 -0.3556519     14.79134 
1 1 1 5   5  16 o 343.5705 5.631476 3462.467       113.4720 3422.374       158.1101 3505.049       162.9464 341.5249 7.893810 345.6216 8.038838 -4.096680      11.26655 
1 1 1 5   5  17 o 412.9184 6.287811 5001.756       152.2700 4851.339       206.7266 5180.150       225.1334 406.5890 8.669423 420.1242 9.137171 -13.53522      12.59551 
1 1 1 5   5  18 o 683.0638 8.747419 13692.97       350.4223 13372.20       479.3288 14061.22       513.5869 674.7634 12.11244 691.8792 12.65707 -17.11584      17.51892 
1 1 1 5   5  19 o 991.1675 12.07864 28856.18       702.1271 29172.47       1008.789 28558.98       977.8486 995.7181 17.27482 985.2603 16.92272 10.45789       24.18259 
1 1 1 5   5  20 o 774.5397 9.715648 17612.44       441.3326 17522.69       617.7225 17706.03       630.7588 772.1223 13.64133 776.1224 13.85743 -4.000061      19.44516 
1 1 1 5   5  21 o 639.5532 8.278054 12005.63       310.4956 12197.09       447.3509 11827.66       431.3029 644.3143 11.83859 634.5070 11.59032 9.807312       16.56767 
1 1 1 5   5  22 o 188.3829 7.268077 1043.089       80.14864 1104.862       119.1863 992.0945       108.2901 193.6485 10.53417 183.5070 10.10099 10.14146       14.59448 
1 1 1 5   5  23 o 400.6180 6.303251 4709.904       148.0968 4753.109       209.6517 4666.872       209.2299 402.3003 8.885818 398.6297 8.949600 3.670563       12.61163 
1 1 1 5   5  24 o 658.4747 8.387540 12734.43       323.9099 12878.28       464.2315 12597.96       452.1625 661.6477 11.96347 654.4387 11.78081 7.208984       16.79024 
1 1 1 5   5  25 o 288.0887 7.650876 2439.180       129.1527 2523.255       206.7534 2385.379       165.3919 292.5341 12.07704 284.6737 9.921580 7.860382       15.62987 
1 1 1 5   5  26 o 327.3901 5.708538 3146.193       109.6077 3101.271       152.7617 3193.858       157.3578 324.8868 8.017368 329.6909 8.138246 -4.804169      11.42406 
1 1 1 5   5  27 o 272.9858 5.627836 2187.672       90.10149 2066.910       122.4895 2330.056       133.0044 265.0862 7.887596 281.4503 8.066071 -16.36411      11.28165 
1 1 1 5   5  28 o 29.40890 13.63653 -48.42400      56.08300 21.07715       84.95039 -102.1179      74.66756 46.78011 19.24493 30.71683 14.68626 16.06327       24.20854 
1 1 1 5   5  29 o 264.2129 5.813134 2050.072       90.07721 2136.295       130.9449 1972.619       124.1069 269.3795 8.298348 258.8583 8.185202 10.52118       11.65590 
1 1 1 5   5  30 o 139.9689 8.536999 578.5591       69.74562 494.4880       101.3951 654.0615       96.08904 128.5983 13.65245 148.5138 11.11263 -19.91554      17.60340 
1 1 1 5   5  31 o 153.3108 8.363705 693.5823       74.91589 696.0904       110.2007 691.4272       102.1508 153.0199 12.38542 152.6473 11.49489 0.3725891      16.89767 
1 1 1 5   5  32 o 256.6884 8.120071 1940.096       122.0872 1998.287       142.3022 1777.811       237.6413 260.3425 9.335115 244.0625 16.70307 16.27998       19.13470 
1 1 1 5   5  33 o 171.5204 9.258798 868.6641       92.79149 886.0790       137.3103 854.0263       125.8865 172.5430 13.68115 169.5400 12.75418 3.003036       18.70409 
1 1 1 5   5  34 o 24.74422 12.40525 -222.7081      77.51085 -233.8398      119.7616 -214.6842      101.6786 35.03783 17.17450 31.52899 15.52790 3.508844       23.15338 
1 1 1 5   5  35 o 247.8756 6.707611 1807.561       97.42107 1873.993       141.4068 1747.542       134.4079 251.9729 9.586472 243.3359 9.436087 8.637054       13.45140 
1 1 1 5   5  36 o 51.43973 19.10593 62.19027       76.81453 2.316620       120.5469 103.1218       99.67055 52.11898 22.26766 62.08014 21.94188 -9.961151      31.26171 
1 1 1 5   5  37 o 90.65993 15.70037 251.9629       80.45658 174.7087       124.9164 306.7318       105.1781 76.21291 24.57241 99.50874 18.70905 -23.29584      30.88417 
1 1 1 5   5  38 o 98.08079 13.70348 291.5508       76.67659 247.2431       123.6690 319.2200       97.72821 88.33849 23.47298 101.9132 16.94563 -13.57471      28.95056 
1 1 1 5   5  39 o 182.5112 9.146601 986.5098       97.59183 929.0015       102.9198 1499.205       307.3002 176.9347 9.958448 219.2647 24.30471 -42.33003      26.26575 
1 1 1 5   5  40 o 86.70027 16.88097 234.1897       82.74738 226.7723       86.27374 319.3994       292.4146 85.03947 17.86735 102.0533 37.38702 -17.01378      41.43707 
1 1 1 5   5  41 o 156.5627 9.485088 729.9034       86.68384 695.9468       90.85497 1074.455       289.4097 152.6801 10.20508 180.6417 28.24190 -27.96167      30.02913 
1 1 1 5   5  42 o 72.94516 17.86999 170.0851       75.83575 165.2664       78.86662 229.1878       276.2076 71.79659 18.58636 89.68768 35.46653 -17.89108      40.04158 
1 1 1 5   5  43 o 44.37087 18.25909 25.67534       76.49899 11.65059       79.11025 227.6604       300.2237 42.97729 18.18794 89.70377 36.45430 -46.72647      40.73962 
1 1 1 5   5  44 o 205.7989 8.815202 1263.397       106.1497 1267.344       111.8503 1227.614       336.7960 205.9301 9.285071 185.1796 32.17876 20.75052       33.49157 
1 1 1 5   5  45 o 253.3075 8.144159 1911.872       120.8315 1920.071       128.7759 1851.507       349.4251 253.5823 8.671707 233.1795 25.99274 20.40285       27.40111 
1 1 1 5   5  46 o 191.7252 9.173502 1102.664       102.8497 1131.345       108.1265 830.1477       333.2982 194.0358 9.530825 140.5422 39.04327 53.49361       40.18972 
1 1 1 5   5  47 o 193.7370 10.03520 1133.466       113.6334 1203.593       120.9213 603.7342       332.3442 199.4586 10.37276 115.4464 40.12144 84.01218       41.44061 
1 1 1 5   5  48 o 39.12109 18.25633 -73.72628      103.0652 -40.34298      108.0947 -407.6254      341.8593 42.93961 19.54556 58.74710 28.84103 -15.80749      34.84012 
1 1 1 5   5  49 o 45.42424 20.12610 -8.105654      106.3203 -16.68241      111.6211 75.81696       349.1598 45.61827 20.39087 76.10728 34.82792 -30.48900      40.35805 
1 1 1 5   5  50 o 66.19794 23.49478 146.9678       114.3781 167.0065       118.5836 -120.6108      433.3272 69.48092 23.97516 72.63422 34.89947 -3.153305      42.34125 
1 1 1 5   5  51 o 42.58598 19.30611 -30.14309      104.1504 -69.41476      106.9102 701.1902       461.3570 39.91260 18.61510 107.1797 44.54094 -67.26714      48.27439 
1 1 1 5   6  0  o 821.8267 19.20847 19905.83       925.8137 19845.12       1305.332 19967.29       1313.301 818.0459 27.24578 820.5349 27.32895 -2.489014      38.59021 
1 1 1 5   6  1  f 559.5005 13.70164 9203.583       449.5972 8804.435       614.8688 9662.202       659.0844 546.2109 19.22424 572.1470 19.67113 -25.93610      27.50500 
1 1 1 5   6  2  o 368.5796 10.08854 3992.472       217.8721 3917.524       302.6760 4073.063       313.8639 364.7070 14.17789 371.8597 14.41901 -7.152740      20.22178 
1 1 1 5   6  3  o 361.4923 7.418758 3835.131       157.2827 3920.988       186.6611 3624.936       292.0629 365.4588 8.708933 350.7703 14.22673 14.68848       16.68069 
1 1 1 5   6  4  o 406.9460 7.393694 4860.493       176.4610 4784.048       217.4500 5007.920       301.9784 403.6357 9.185847 412.5439 12.49557 -8.908112      15.50868 
1 1 1 5   6  5  o 225.2279 6.353100 1489.780       83.83478 1441.118       100.8879 1598.351       150.6959 221.4308 7.780829 232.9522 11.06182 -11.52138      13.52424 
1 1 1 5   6  6  f 536.8602 9.914456 8468.479       312.1624 8586.461       445.2739 8354.449       437.7510 539.8624 14.07551 532.5221 14.02870 7.340332       19.87271 
1 1 1 5   6  7  o 265.0986 5.524652 2062.158       85.89401 2020.039       151.8829 2081.963       104.1481 262.0004 9.902360 266.2448 6.675173 -4.244354      11.94214 
1 1 1 5   6  8  o 231.7240 5.419575 1575.617       73.65239 1702.799       142.3437 1529.117       86.06989 240.4859 10.11507 228.1574 6.438736 12.32848       11.99050 
1 1 1 5   6  9  o 549.0632 7.047678 8849.743       226.9441 8835.384       320.5753 8864.169       321.3210 548.3237 9.968790 549.2153 9.975757 -0.8916016     14.10293 
1 1 1 5   6  10 o 386.3501 5.503579 4379.615       124.7029 4194.835       168.3891 4604.034       185.5739 378.0124 7.595516 395.9972 7.990507 -17.98483      11.02452 
1 1 1 5   6  11 o 252.2042 4.742008 1865.880       70.13990 1778.151       95.31758 1969.482       103.5827 246.0730 6.610772 258.9711 6.825963 -12.89815      9.502425 
1 1 1 5   6  12 o 318.4273 5.093563 2974.343       95.12232 2982.191       134.1998 2966.418       134.8491 318.7929 7.177823 317.9471 7.231740 0.8458252      10.18917 
1 1 1 5   6  13 o 418.4470 5.869895 5136.515       144.0527 5014.650       197.3598 5275.465       210.7403 413.3799 8.140644 423.9805 8.475224 -10.60065      11.75157 
1 1 1 5   6  14 f 112.8927 7.240688 375.4550       47.68704 323.1465       71.99078 416.3515       63.65519 104.2164 11.99714 118.7511 9.211980 -14.53473      15.12587 
1 1 1 5   6  15 o 190.4419 5.717608 1064.811       63.78747 1152.597       96.79768 997.4304       84.80540 198.0149 8.353980 184.2074 7.868053 13.80743       11.47585 
1 1 1 5   6  16 o 400.1968 5.982407 4698.080       140.4106 4629.830       195.6409 4770.578       201.6361 397.2115 8.398221 403.1996 8.527029 -5.988129      11.96831 
1 1 1 5   6  17 o 133.8760 9.125648 528.4529       71.22176 470.8893       104.4815 578.4190       97.34259 125.7674 14.42596 139.8326 11.98530 -14.06515      18.75515 
1 1 1 5   6  18 o 894.4905 11.00777 23493.37       577.4651 22916.35       787.2012 24165.63       849.6923 882.9091 15.20265 906.5360 15.98181 -23.62689      22.05762 
1 1 1 5   6  19 o 697.5670 8.947668 14282.41       366.0550 13815.91       495.0673 14845.07       543.7040 685.7921 12.30896 710.7983 13.04264 -25.00623      17.93379 
1 1 1 5   6  20 o 831.5660 10.27984 20305.06       501.3416 20375.90       711.6096 20235.25       706.4271 832.4441 14.57593 829.5748 14.51982 2.869263       20.57384 
1 1 1 5   6  21 o 302.5196 6.100836 2685.108       108.2414 2791.988       158.6170 2591.958       148.0787 308.2680 8.782409 297.0288 8.509254 11.23920       12.22858 
1 1 1 5   6  22 o 1066.877 12.85777 33471.66       804.5079 34223.42       1172.874 32803.66       1105.596 1077.142 18.56641 1054.790 17.87229 22.35217       25.77072 
1 1 1 5   6  23 o 657.7375 8.394174 12703.92       323.8032 12802.76       461.7006 12608.25       454.2442 659.8175 11.93125 654.8020 11.82848 5.015503       16.80083 
1 1 1 5   6  24 o 199.8686 7.503188 1174.592       87.79487 1083.446       163.4725 1211.539       104.0788 191.1830 14.69217 202.8933 8.767385 -11.71030      17.10926 
1 1 1 5   6  25 o 285.7791 5.725438 2397.015       95.95990 2435.366       138.2052 2361.316       133.3410 287.8051 8.196303 283.4073 8.030459 4.397797       11.47465 
1 1 1 5   6  26 o 217.4755 5.877307 1389.421       74.89296 1382.834       108.4975 1395.416       103.5079 216.7381 8.552384 217.7647 8.118890 -1.026611      11.79236 
1 1 1 5   6  27 o 212.5733 5.897351 1327.741       73.45076 1317.912       104.6561 1337.282       103.1112 211.5595 8.451942 213.1302 8.264840 -1.570648      11.82129 
1 1 1 5   6  28 o 407.3341 6.184960 4872.880       147.7536 4858.333       207.5138 4887.838       210.4271 406.4213 8.706027 407.6400 8.801857 -1.218628      12.38013 
1 1 1 5   6  29 o 68.21265 15.65534 143.3647       61.30044 232.7878       95.04636 79.67534       80.21285 86.74094 19.19235 55.42140 19.67479 31.31953       27.48534 
1 1 1 5   6  30 o 241.2220 6.172683 1710.479       87.25382 1812.641       129.7472 1626.131       117.8938 247.9991 8.935268 234.9254 8.571152 13.07378       12.38159 
1 1 1 5   6  31 f 192.6467 7.233268 1092.552       81.57831 1155.043       123.9670 1044.819       108.3433 197.6336 10.73565 188.0666 9.857316 9.567017       14.57467 
1 1 1 5   6  32 o 196.7709 7.638599 1140.224       87.98313 1158.872       128.8521 1123.935       120.4285 197.9056 11.14658 194.9786 10.57108 2.927032       15.36209 
1 1 1 5   6  33 o 196.7865 12.83687 1149.208       147.3425 1035.310       174.9741 1426.849       273.1853 186.0644 16.19588 217.1461 21.74354 -31.08165      27.11251 
1 1 1 5   6  34 o 332.4923 6.514951 3248.779       127.0408 3350.958       185.7391 3158.958       174.1463 337.1583 9.402500 327.4077 9.078087 9.750580       13.06976 
1 1 1 5   6  35 o 358.4855 6.376999 3777.205       134.0721 3828.965       191.7999 3727.746       187.4869 360.3920 9.081735 355.6111 8.996922 4.780823       12.78368 
1 1 1 5   6  36 o 159.3266 8.646856 750.2009       80.49454 829.1797       130.8554 702.1226       102.0964 166.6362 13.50538 153.6709 11.40980 12.96533       17.67990 
1 1 1 5   6  37 f 100.6457 13.88282 306.6650       79.76480 272.6231       83.13429 701.2613       283.0415 94.40880 15.55605 146.0693 33.72240 -51.66049      37.13746 
1 1 1 5   6  38 o 43.49514 18.05453 16.13466       75.67996 29.75269       78.59737 -157.1569      280.3752 46.23114 18.70156 67.55439 31.02367 -21.32325      36.22453 
1 1 1 5   6  39 o 217.7280 8.235586 1400.745       104.9725 1345.924       110.6999 1889.793       330.6347 213.2887 8.869058 246.9547 23.09660 -33.66603      24.74092 
1 1 1 5   6  40 o 234.0277 8.109202 1619.453       111.1320 1624.167       119.2537 1588.339       306.3803 234.2231 8.696536 225.0156 23.56567 9.207504       25.11913 
1 1 1 5   6  41 o 41.14910 17.57556 3.276057       75.05717 14.66503       78.04346 -137.0571      273.9520 43.45838 18.20890 65.85691 30.39648 -22.39853      35.43318 
1 1 1 5   6  42 o 49.88993 19.11099 57.08256       78.20845 65.55335       81.34690 -46.38509      284.3029 51.87163 19.57964 70.98999 32.06786 -19.11836      37.57273 
1 1 1 5   6  43 o 37.53297 16.83179 -27.59807      76.73038 -4.847144      79.52254 -334.6160      292.1276 40.92429 17.78777 58.52415 28.25418 -17.59986      33.38717 
1 1 1 5   6  44 o 173.9891 9.689623 907.2853       98.48283 916.3646       103.4984 820.3614       320.2418 174.6791 10.14649 145.2742 37.37387 29.40495       38.72670 
1 1 1 5   6  45 o 86.57607 18.54975 244.7359       91.35175 248.9866       95.50962 199.0792       313.0177 87.05109 19.22217 85.33302 36.14870 1.718079       40.94167 
1 1 1 5   6  46 o 65.80408 21.05364 141.7872       91.82651 157.2392       95.48060 -48.57853      335.1326 68.81529 21.39716 72.20100 33.42854 -3.385712      39.69012 
1 1 1 5   6  47 o 76.36468 21.91657 199.7807       103.2826 260.6931       108.8807 -347.3027      326.3057 87.38910 21.41459 59.49860 28.98746 27.89050       36.03967 
1 1 1 5   6  48 o 131.5739 14.70472 545.5265       111.5310 502.3352       118.3865 886.3882       332.5777 125.0827 16.54340 141.5733 38.87449 -16.49064      42.24820 
1 1 1 5   6  49 o 37.97552 17.85528 -83.22568      101.7561 -88.00001      105.9706 -26.75950      364.4379 38.57275 18.16255 72.42673 33.97030 -33.85398      38.52090 
1 1 1 5   6  50 o 67.62189 22.84537 156.8705       107.5618 153.7983       111.0833 203.0347       430.6001 67.17492 23.20344 83.92147 38.50562 -16.74655      44.95645 
1 1 1 5   7  0  o 325.4865 9.221317 3113.287       175.8484 3184.861       250.7829 3044.056       246.6432 328.8617 13.02850 321.4898 13.10881 7.371857       18.48196 
1 1 1 5   7  1  o 543.7886 13.36409 8696.199       426.2064 8710.947       602.7061 8681.448       602.7877 543.1378 18.95007 542.2092 18.98530 0.9285889      26.82438 
1 1 1 5   7  2  o 541.0457 9.748801 8597.573       309.3397 8609.682       361.8183 8564.675       596.3793 541.2695 11.39794 538.5079 18.91275 2.761536       22.08179 
1 1 1 5   7  3  o 318.6795 7.079364 2980.655       132.3119 2992.751       156.8433 2950.800       246.3987 319.1591 8.386575 316.4498 13.30618 2.709351       15.72860 
1 1 1 5   7  4  f 72.01765 10.50437 155.6000       43.06110 142.7738       50.85371 188.0974       80.94669 68.52675 13.13137 78.30212 18.00351 -9.775375      22.28361 
1 1 1 5   7  5  o 489.7188 8.145958 7042.339       233.9588 7204.089       304.6949 6809.973       365.1989 495.0845 10.49386 480.8887 12.96076 14.19583       16.67640 
1 1 1 5   7  6  o 385.4514 7.066551 4361.469       159.7451 4415.750       205.0501 4277.656       254.7944 387.7099 9.017840 381.2276 11.40891 6.482361       14.54251 
1 1 1 5   7  7  f 573.4081 8.449265 9657.146       284.1406 9749.837       498.9482 9612.659       345.6674 575.0063 14.80791 571.8609 10.30665 3.145447       18.04166 
1 1 1 5   7  8  o 244.6388 5.525076 1756.140       79.27095 1737.902       146.4019 1763.705       94.28872 242.9494 10.29832 245.0439 6.566848 -2.094498      12.21388 
1 1 1 5   7  9  o 287.8393 5.611397 2431.036       94.72653 2429.477       169.2957 2431.747       114.2925 287.3739 10.06047 287.8405 6.770414 -0.4666443     12.12648 
1 1 1 5   7  10 o 596.2904 7.553186 10436.63       264.1427 10294.67       366.8032 10589.55       380.6921 591.9445 10.56578 600.3355 10.81258 -8.390991      15.11779 
1 1 1 5   7  11 o 816.4731 9.954167 19575.68       476.6475 19166.42       654.7867 20037.00       695.1888 807.3644 13.82865 825.4092 14.36094 -18.04480      19.93661 
1 1 1 5   7  12 o 631.8778 7.939430 11716.87       294.2205 11641.34       412.0716 11795.43       420.2296 629.6080 11.15969 633.7488 11.30626 -4.140808      15.88616 
1 1 1 5   7  13 o 445.9980 7.133746 5835.992       186.5955 5777.190       320.2924 5866.202       229.5784 443.3435 12.33041 447.0915 8.755565 -3.747955      15.12280 
1 1 1 5   7  14 o 115.8103 8.283261 395.5609       55.88840 275.3850       122.3128 427.2728       62.83108 94.79250 22.36505 120.3301 8.967755 -25.53759      24.09598 
1 1 1 5   7  15 o 213.7003 5.484962 1340.427       68.68631 1435.256       102.7045 1263.693       92.38689 221.0257 7.935998 207.3946 7.608501 13.63112       10.99406 
1 1 1 5   7  16 o 652.6352 8.300141 12498.63       317.6922 12425.27       444.8177 12575.02       453.8888 650.4978 11.65965 654.3931 11.82661 -3.895325      16.60772 
1 1 1 5   7  17 o 187.7642 7.289508 1035.960       80.11903 1077.767       120.8887 1003.214       106.9908 191.2902 10.81974 184.6022 9.918744 6.688019       14.67815 
1 1 1 5   7  18 o 499.2106 7.296793 7312.200       213.6320 7185.122       293.0979 7456.229       312.0329 494.7180 10.10193 503.9382 10.55778 -9.220215      14.61218 
1 1 1 5   7  19 o 717.8886 9.131976 15127.81       384.4788 15051.29       538.9175 15207.14       548.6842 715.7156 12.83900 719.3926 13.00487 -3.677063      18.27475 
1 1 1 5   7  20 o 1130.510 13.58776 37569.75       900.8919 37258.96       1257.792 37897.15       1290.963 1124.483 19.07239 1133.974 19.41154 -9.491211      27.21331 
1 1 1 5   7  21 o 814.5809 10.05029 19487.84       480.1348 19460.62       677.5536 19515.29       680.4820 813.3824 14.20360 814.5170 14.24512 -1.134521      20.11630 
1 1 1 5   7  22 o 893.6553 10.92307 23469.34       572.4865 24151.53       840.0728 22877.83       782.2524 905.4764 15.81937 881.4461 15.13215 24.03033       21.89142 
1 1 1 5   7  23 o 362.0514 6.042014 3846.762       128.2928 3704.460       176.8934 4004.671       186.3421 355.1584 8.492571 369.2617 8.604508 -14.10333      12.08972 
1 1 1 5   7  24 o 394.8194 6.117159 4575.266       141.6442 4595.287       198.7094 4554.585       201.9605 395.5079 8.566682 393.7375 8.745994 1.770447       12.24257 
1 1 1 5   7  25 o 465.0191 6.549052 6348.870       178.6075 6255.647       248.5560 6448.397       256.8254 461.3181 9.186990 468.3510 9.350095 -7.032898      13.10820 
1 1 1 5   7  26 o 302.7523 5.669380 2690.656       100.6638 2699.624       142.0456 2681.609       142.6768 302.9915 8.000682 301.9715 8.063543 1.020081       11.35921 
1 1 1 5   7  27 o 201.1031 6.176296 1188.721       72.75824 1157.145       106.5129 1216.345       99.62362 198.1261 9.191685 203.2300 8.376369 -5.103897      12.43586 
1 1 1 5   7  28 o 496.0313 6.871847 7229.115       199.9093 7316.348       284.9105 7144.521       280.5685 498.5247 9.744761 492.6425 9.710834 5.882111       13.75720 
1 1 1 5   7  29 o 83.62862 21.37558 217.2340       105.2240 294.1415       124.8890 29.05866       195.3536 97.18128 22.37539 68.34306 28.73312 28.83823       36.41772 
1 1 1 5   7  30 o 253.7275 6.168634 1891.229       91.79246 1955.962       135.2173 1835.899       125.0109 257.6197 8.963237 249.6350 8.551325 7.984695       12.38809 
1 1 1 5   7  31 o 433.9866 6.483738 5534.115       165.0260 5568.704       234.3756 5500.106       232.4009 434.8995 9.189099 432.2166 9.168237 2.682953       12.98061 
1 1 1 5   7  32 o 129.2776 10.82438 496.1839       81.31582 549.2026       122.1290 453.9626       108.9859 135.1940 15.69451 122.7940 15.47669 12.40006       22.04190 
1 1 1 5   7  33 o 279.6580 6.984162 2298.771       114.5492 2377.385       167.7913 2230.149       156.7644 283.8604 10.09499 274.9781 9.736088 8.882263       14.02499 
1 1 1 5   7  34 o 263.4028 7.467503 2042.048       115.2412 1940.170       191.9731 2099.443       144.0919 255.8143 12.83675 266.8255 9.221786 -11.01115      15.80580 
1 1 1 5   7  35 o 177.2581 8.787024 927.7650       91.06313 941.8925       96.79737 819.0126       268.5656 178.5359 9.276402 160.8809 29.55267 17.65497       30.97437 
1 1 1 5   7  36 f 187.8023 8.746058 1041.816       96.06596 1043.186       101.8250 1030.720       289.7590 187.8418 9.271623 180.8618 28.23993 6.980011       29.72300 
1 1 1 5   7  37 o 145.8629 10.18933 631.7603       86.61660 665.3337       90.76795 289.7074       289.7216 149.6673 10.40562 101.1449 37.18787 48.52245       38.61625 
1 1 1 5   7  38 o 326.6164 7.368114 3142.193       141.1383 3109.506       153.6970 3318.041       356.4900 324.7690 8.069382 331.3173 18.41897 -6.548279      20.10904 
1 1 1 5   7  39 o 118.1191 12.84995 420.1840       87.58377 388.8520       91.03738 809.7947       321.0263 113.2958 13.99854 154.2936 36.11832 -40.99776      38.73619 
1 1 1 5   7  40 o 56.70151 19.98153 88.66331       82.60902 100.8554       85.97614 -57.90958      298.1028 59.38283 20.41756 73.88216 33.15113 -14.49933      38.93423 
1 1 1 5   7  41 o 208.3954 8.152760 1287.412       99.44994 1215.471       104.9086 1925.248       312.3749 202.2799 8.864695 247.2936 21.76006 -45.01373      23.49645 
1 1 1 5   7  42 o 169.5924 9.614323 858.9946       95.23422 873.6234       100.5955 732.6245       295.6628 170.8811 10.08251 141.3149 35.67545 29.56624       37.07283 
1 1 1 5   7  43 o 68.61654 19.17755 152.1093       80.15069 127.6827       83.61931 428.3498       281.2019 63.57653 20.06154 107.0397 36.92039 -43.46315      42.01881 
1 1 1 5   7  44 o 138.3435 11.28503 579.5774       90.76659 555.0023       94.93563 841.0911       309.6912 135.0355 12.11622 148.3074 35.97770 -13.27191      37.96311 
1 1 1 5   7  45 o 134.7072 12.42356 555.4916       97.04430 494.7466       101.9969 1135.818       315.2595 126.3551 13.99851 176.0541 31.69873 -49.69901      34.65209 
1 1 1 5   7  46 o 56.15189 21.26188 85.20364       96.10019 58.70076       100.5309 366.1434       327.3104 52.85130 21.23127 96.43105 38.45417 -43.57975      43.92596 
1 1 1 5   7  47 o 84.72614 25.91708 257.6763       140.7662 257.6763       140.7662 0.000000       0.000000 84.72614 25.91708 ?        ?        0.000000       25.91708 
1 1 1 5   7  48 o 65.18679 22.38358 140.3004       103.3206 168.3348       108.3893 -138.5889      341.8663 70.13757 22.91040 67.14180 31.91141 2.995773       39.28390 
1 1 1 5   7  49 o 83.60954 21.67567 243.8805       107.1591 199.8324       110.5697 925.0105       434.7980 75.31030 22.95661 128.4137 45.78406 -53.10345      51.21704 
1 1 1 5   7  50 o 69.66940 23.12119 168.8301       110.2327 177.9857       113.5307 18.07826       460.6829 71.21738 23.45775 78.17735 37.12409 -6.959961      43.91428 
1 1 1 5   8  0  o 78.11262 7.408917 180.7134       33.53537 167.8765       45.34285 196.2141       49.82584 74.84158 10.62891 81.00773 10.75296 -6.166153      15.11952 
1 1 1 5   8  1  o 214.7050 7.548716 1354.931       94.90510 1416.236       134.7765 1294.635       133.6626 219.2805 10.51066 209.5953 10.91129 9.685181       15.15025 
1 1 1 5   8  2  o 466.2022 8.731977 6383.142       238.7467 6376.800       279.6580 6400.187       458.4679 465.8371 10.23629 465.5612 16.81884 0.2759094      19.68895 
1 1 1 5   8  3  o 140.4449 6.522590 580.1678       53.57828 581.6450       65.31245 577.1284       93.68810 140.5198 7.957681 139.6218 11.54453 0.8980255      14.02144 
1 1 1 5   8  4  o 323.7215 6.004861 3075.404       114.0053 3111.306       157.0215 3035.378       165.7915 325.3904 8.234797 321.3442 8.805436 4.046204       12.05602 
1 1 1 5   8  5  o 112.9038 7.759309 376.0623       51.06620 386.8993       56.53056 327.9968       119.0550 114.4608 8.481500 103.5300 20.33376 10.93086       22.03174 
1 1 1 5   8  6  o 664.9998 10.43816 12999.37       407.0951 13071.56       524.8445 12890.35       644.9904 666.3120 13.43082 660.7564 16.65742 5.555603       21.39758 
1 1 1 5   8  7  o 354.3926 5.632747 3685.428       117.0726 3642.692       176.8179 3718.788       156.2202 352.1736 8.560889 355.8995 7.484439 -3.725891      11.37126 
1 1 1 5   8  8  o 314.2882 5.803308 2898.450       106.9681 2841.000       186.2125 2926.744       130.6806 310.7726 10.23076 315.7682 7.056546 -4.995544      12.42833 
1 1 1 5   8  9  f 152.2302 5.745341 680.9086       51.20203 810.4280       109.1203 644.3408       57.98129 165.6781 11.29786 148.0251 6.696194 17.65305       13.13319 
1 1 1 5   8  10 o 444.7556 6.088233 5803.636       158.8047 5702.125       219.5609 5914.999       229.9678 440.7352 8.494283 448.8730 8.735608 -8.137787      12.18457 
1 1 1 5   8  11 o 265.0050 4.828521 2059.936       75.04447 1950.307       102.4476 2186.871       110.2379 257.7316 6.783617 272.9202 6.892747 -15.18854      9.670958 
1 1 1 5   8  12 o 140.7773 5.883843 582.3757       48.47141 745.4728       90.99911 517.7712       57.27243 159.0605 9.802553 132.6355 7.391911 26.42503       12.27723 
1 1 1 5   8  13 o 419.0417 5.941222 5150.925       146.0103 5144.608       204.7990 5157.455       208.2231 418.7145 8.339871 419.2325 8.468830 -0.5180359     11.88590 
1 1 1 5   8  14 o 281.5920 5.218307 2325.813       86.17881 2465.644       129.0648 2213.311       115.7671 289.7914 7.600585 274.5707 7.195401 15.22064       10.46626 
1 1 1 5   8  15 o 628.1668 8.008504 11578.32       295.0373 11431.27       410.7779 11735.01       424.0290 623.9745 11.22509 632.1951 11.43652 -8.220520      16.02487 
1 1 1 5   8  16 o 475.3539 6.743167 6629.167       187.9886 6623.753       264.3859 6634.702       267.3509 475.0503 9.489607 475.4381 9.588201 -0.3878479     13.49023 
1 1 1 5   8  17 o 98.17952 12.91308 288.0260       72.55267 230.9004       117.0811 323.6371       92.44083 86.90954 22.71970 103.7622 15.67917 -16.85263      27.60472 
1 1 1 5   8  18 o 305.3076 6.500026 2734.705       116.3867 2866.568       175.5777 2631.347       155.4461 312.3438 9.596246 299.2880 8.865823 13.05585       13.06487 
1 1 1 5   8  19 o 221.5384 6.983655 1441.515       90.62324 1360.697       136.2009 1505.716       121.3945 214.9796 10.83765 226.2946 9.165874 -11.31500      14.19394 
1 1 1 5   8  20 o 657.7751 8.404727 12700.13       324.2288 12501.66       448.8275 12916.75       468.8875 652.3069 11.73213 663.0114 12.05861 -10.70447      16.82418 
1 1 1 5   8  21 o 46.00802 17.19084 46.74036       62.36789 -56.63178      104.2878 104.2956       77.81695 42.99483 19.42192 60.27788 19.39066 -17.28305      27.44465 
1 1 1 5   8  22 o 66.26468 16.38296 134.5459       63.30429 156.5668       99.56740 119.6046       82.01533 72.39473 21.72449 63.81396 19.82930 8.580765       29.41351 
1 1 1 5   8  23 o 283.0313 5.883827 2350.850       97.66635 2473.931       144.2117 2246.568       132.7422 290.1017 8.485288 276.4615 8.196033 13.64029       11.79725 
1 1 1 5   8  24 o 460.2150 6.531939 6217.628       176.3004 6221.934       247.2829 6213.178       251.4215 460.1269 9.163598 459.7853 9.323883 0.3415833      13.07311 
1 1 1 5   8  25 o 193.9130 6.255027 1105.094       71.04247 1080.860       106.3941 1124.592       95.43536 191.4925 9.503301 195.4504 8.344934 -3.957962      12.64716 
1 1 1 5   8  26 f 99.15624 9.977069 292.1960       57.23158 237.3526       91.25346 327.7554       73.47922 87.86826 18.30298 104.7583 12.18711 -16.89006      21.98920 
1 1 1 5   8  27 o 120.3272 9.582407 428.7394       67.06393 552.1697       134.1565 387.6194       77.43325 135.3879 17.28991 114.0769 11.74137 21.31104       20.89978 
1 1 1 5   8  28 o 166.1938 7.058846 813.1207       68.64500 839.9900       100.6119 789.7200       93.89339 168.5658 10.22531 163.4753 9.838908 5.090485       14.19018 
1 1 1 5   8  29 o 389.3989 6.126547 4454.117       139.9140 4418.664       195.8524 4491.069       199.9476 387.5183 8.617594 390.6634 8.726961 -3.145020      12.26470 
1 1 1 5   8  30 o 357.0189 6.106648 3744.369       127.8629 3731.762       180.5136 3757.064       181.1390 356.0987 8.643488 357.3037 8.644182 -1.204987      12.22423 
1 1 1 5   8  31 o 164.9195 7.943865 801.8083       76.60820 956.7911       121.9198 700.6964       98.47680 179.6837 11.63202 153.7506 10.99365 25.93304       16.00513 
1 1 1 5   8  32 o 144.1946 13.71799 620.5191       114.6126 738.9883       126.1740 61.49622       274.0829 157.4531 13.80316 81.78675 34.18586 75.66637       36.86734 
1 1 1 5   8  33 o 231.8039 7.996396 1582.444       108.5462 1595.624       117.1191 1502.172       289.0324 232.6909 8.596965 222.5663 22.44948 10.12462       24.03928 
1 1 1 5   8  34 o 33.05721 15.40448 -67.10155      72.95990 -109.5572      75.97687 435.8557       261.5046 30.51288 14.64853 117.0357 35.22672 -86.52283      38.15103 
1 1 1 5   8  35 o 36.52475 16.34537 -30.26323      71.94949 -35.64227      74.33208 49.63190       286.4733 36.62412 16.48362 81.78816 34.61155 -45.16404      38.33626 
1 1 1 5   8  36 o 176.6065 9.214187 922.4871       95.10636 901.3018       100.0933 1119.341       305.1121 174.4593 9.822407 188.3506 28.51207 -13.89137      30.15656 
1 1 1 5   8  37 o 44.12859 18.17290 19.95675       75.85250 26.08979       78.43312 -68.67016      298.1566 45.66492 18.60468 74.88225 33.40874 -29.21733      38.23975 
1 1 1 5   8  38 o 60.74434 20.20848 107.1157       84.19669 130.1455       87.60459 -171.7326      304.8356 65.56181 20.51266 69.99493 32.21899 -4.433121      38.19467 
1 1 1 5   8  39 o 66.14437 20.15858 134.6303       85.26473 169.2700       88.53986 -307.7786      316.4200 73.32733 20.02707 65.07728 30.86369 8.250053       36.79200 
1 1 1 5   8  40 o 328.7220 7.400328 3189.622       142.6692 3221.084       156.6879 3037.024       345.0780 330.1269 8.092896 314.7015 18.78228 15.42542       20.45163 
1 1 1 5   8  41 o 39.98366 17.39531 -7.353600      76.20190 -6.752048      79.27158 -14.67266      276.5085 40.85382 17.75839 72.49358 32.26881 -31.63975      36.83254 
1 1 1 5   8  42 o 80.76699 17.91867 208.8372       82.65628 186.5144       86.07533 473.1983       296.2126 75.95028 19.29033 112.5167 37.91147 -36.56644      42.53699 
1 1 1 5   8  43 o 64.57287 19.52441 133.2774       80.20152 130.8386       83.46334 162.6625       289.7146 64.17238 20.01351 83.66422 35.07106 -19.49184      40.37969 
1 1 1 5   8  44 o 151.0802 10.61887 688.5742       93.48917 738.5880       98.01420 184.1289       311.2798 156.4421 10.74811 85.20903 36.07001 71.23305       37.63732 
1 1 1 5   8  45 o 205.5249 9.212152 1266.038       110.7569 1253.737       117.0814 1370.757       341.6106 204.2303 9.803644 194.2270 31.03365 10.00325       32.54534 
1 1 1 5   8  46 o 155.7869 11.66795 740.3132       105.8302 722.1573       111.3679 909.3774       339.8423 153.4289 12.48442 146.8871 38.85638 6.541763       40.81273 
1 1 1 5   8  47 o 153.5176 12.55659 725.9749       112.0657 753.4164       118.0335 475.0023       356.9554 156.1381 13.00784 102.3841 40.37126 53.75398       42.41512 
1 1 1 5   8  48 o 54.91679 23.76698 30.05158       140.7255 30.05158       140.7255 0.000000       0.000000 54.91679 23.76698 ?        ?        0.000000       23.76698 
1 1 1 5   8  49 o 139.4011 15.72707 621.1041       126.3355 606.5811       130.8895 818.9860       483.1460 137.1081 16.61631 115.7769 46.53217 21.33115       49.40997 
1 1 1 5   8  50 o 77.50159 25.19740 218.5989       131.1875 211.5950       133.5341 412.6364       702.8552 76.35174 25.45094 93.86349 44.92658 -17.51176      51.63475 
1 1 1 5   9  0  o 383.5599 10.24539 4327.031       230.2624 4757.024       344.2639 3978.944       309.7450 401.5669 14.64235 367.2495 14.40908 34.31735       20.54312 
1 1 1 5   9  1  o 399.8333 7.986288 4694.472       187.2727 4654.558       220.6581 4797.259       354.0971 398.0181 9.452934 403.1992 15.00065 -5.181152      17.73069 
1 1 1 5   9  2  o 256.6114 6.426274 1933.940       96.63708 1951.550       116.8705 1895.870       171.8334 257.6884 7.741982 253.6289 11.58260 4.059555       13.93180 
1 1 1 5   9  3  o 362.6432 7.371646 3861.144       156.7814 3858.228       184.3082 3868.776       298.2135 362.4205 8.671243 362.1424 14.06773 0.2781067      16.52548 
1 1 1 5   9  4  o 120.2494 6.232984 425.5275       43.80711 421.6292       55.21310 432.1513       71.97111 119.5647 7.918486 120.8229 10.25359 -1.258118      12.95525 
1 1 1 5   9  5  o 399.9729 6.516585 4695.550       152.8626 4780.157       215.6981 4610.183       216.6658 403.3804 9.117610 396.1270 9.326214 7.253418       13.04259 
1 1 1 5   9  6  o 216.8789 6.242226 1381.561       79.31498 1457.432       97.04305 1228.898       137.6548 222.6843 7.441059 204.1042 11.54686 18.58011       13.73679 
1 1 1 5   9  7  o 622.1686 8.278106 11366.01       302.0575 11918.69       482.7260 11010.36       387.2345 636.5134 12.93131 612.0765 10.78743 24.43689       16.84005 
1 1 1 5   9  8  o 230.8887 4.988853 1563.902       67.55443 1467.821       101.2735 1640.925       90.67545 223.4838 7.738469 236.3795 6.547082 -12.89575      10.13648 
1 1 1 5   9  9  o 533.9242 8.050189 8367.417       252.0787 8206.414       428.3460 8452.718       311.7849 528.0933 13.84230 536.5078 9.908969 -8.414490      17.02342 
1 1 1 5   9  10 o 133.4790 6.009284 523.7456       46.92142 354.2141       105.5093 565.5395       52.38680 108.3953 17.16837 138.6879 6.458431 -30.29257      18.34296 
1 1 1 5   9  11 o 426.0067 5.942796 5323.787       148.4765 5411.595       212.8470 5240.560       207.2211 429.4210 8.451498 422.5840 8.361235 6.836975       11.88857 
1 1 1 5   9  12 o 740.2677 9.136633 16082.70       396.6665 15658.83       540.6068 16577.05       583.8250 730.1718 12.62426 751.2144 13.25160 -21.04254      18.30237 
1 1 1 5   9  13 o 205.4868 9.483181 1241.898       113.9766 1293.818       142.1257 1148.339       190.7873 209.5957 11.60751 196.9276 16.67596 12.66811       20.31802 
1 1 1 5   9  14 o 469.8493 6.502654 6476.156       179.1842 6579.001       256.7437 6378.492       250.1927 473.4653 9.246156 466.1985 9.150677 7.266785       13.00870 
1 1 1 5   9  15 o 677.1381 8.564413 13455.49       340.1147 13167.55       465.9910 13783.74       497.5480 669.6240 11.86577 685.0690 12.38369 -15.44495      17.15087 
1 1 1 5   9  16 o 191.2566 7.073615 1074.677       79.20625 1088.253       126.1235 1065.836       101.7802 192.1870 11.23882 190.3452 9.144140 1.841766       14.48884 
1 1 1 5   9  17 o 955.6786 11.66465 26823.41       653.7839 26650.55       914.9756 27003.74       934.5140 951.8797 16.38993 958.1232 16.63083 -6.243530      23.34982 
1 1 1 5   9  18 o 114.0626 10.12493 384.9866       67.02781 445.5450       114.4751 353.3938       82.68345 121.9776 16.41880 108.8688 13.22049 13.10883       21.07980 
1 1 1 5   9  19 o 434.0431 6.500240 5527.531       165.4675 5417.450       228.6305 5648.610       239.7803 429.5845 9.074759 438.6406 9.320823 -9.056122      13.00880 
1 1 1 5   9  20 o 753.7130 9.415604 16680.88       416.2025 16450.21       574.9810 16934.77       603.2333 748.0105 13.10676 758.8785 13.55385 -10.86798      18.85454 
1 1 1 5   9  21 f 437.2513 6.453471 5610.564       165.4912 5589.539       230.5276 5632.920       237.7178 436.2770 9.009695 437.9492 9.255238 -1.672180      12.91642 
1 1 1 5   9  22 o 847.9317 11.96982 21145.87       595.2494 21421.57       744.6131 20657.75       990.7795 852.7534 14.88870 835.8081 20.21249 16.94525       25.10415 
1 1 1 5   9  23 o 283.8602 5.819101 2364.723       96.87482 2344.417       139.6861 2383.539       134.4663 282.3873 8.443949 284.7683 8.059507 -2.381042      11.67287 
1 1 1 5   9  24 o 381.8121 6.019069 4279.148       134.7813 4356.665       191.5765 4203.178       189.6570 385.0638 8.483185 378.2140 8.550290 6.849792       12.04458 
1 1 1 5   9  25 o 238.2537 5.808186 1666.365       81.15786 1538.985       114.4658 1795.128       115.0858 228.6634 8.550557 247.0434 7.953608 -18.38005      11.67784 
1 1 1 5   9  26 o 197.7669 11.01627 1155.452       127.2680 1260.775       156.6089 950.6365       218.3905 206.3206 13.00888 177.3666 21.42863 28.95395       25.06825 
1 1 1 5   9  27 o 270.8761 5.674010 2154.371       90.13869 2228.598       131.3421 2088.284       123.9312 275.1957 8.146861 266.4076 7.940876 8.788086       11.37668 
1 1 1 5   9  28 o 77.36398 12.42290 181.0673       54.45791 150.9110       90.52244 198.1719       68.17459 70.41151 20.61065 80.54839 14.98292 -10.13687      25.48111 
1 1 1 5   9  29 o 33.90690 15.94275 -85.92185      81.13480 -48.15741      88.02400 -299.2428      209.2071 39.28431 17.78506 50.29308 24.18667 -11.00878      30.02172 
1 1 1 5   9  30 o 334.5694 6.551486 3289.210       128.5513 3279.863       142.2357 3330.899       300.3723 334.0148 7.260930 334.7970 15.33851 -0.7821960     16.97029 
1 1 1 5   9  31 o 133.6506 10.01192 529.2036       77.90598 535.7123       82.34115 473.6203       240.6232 134.4022 10.53026 121.8738 32.90265 12.52834       34.54665 
1 1 1 5   9  32 o 200.3476 8.179850 1182.711       95.91039 1138.709       101.4438 1553.360       294.4223 196.5008 8.825116 226.4373 22.46627 -29.93651      24.13744 
1 1 1 5   9  33 o 306.6856 7.216394 2765.276       129.7968 2773.717       141.7416 2721.430       323.0410 306.9765 7.879538 301.5789 18.35129 5.397583       19.97141 
1 1 1 5   9  34 o 178.6669 8.957255 942.5912       93.55827 988.8731       99.46198 587.0848       275.6609 182.9628 9.299733 134.5485 34.70626 48.41431       35.93062 
1 1 1 5   9  35 o 91.93354 21.49984 264.8235       113.8402 325.3690       123.4302 -80.01004      294.5677 102.1023 21.30273 74.37211 33.19237 27.73016       39.44033 
1 1 1 5   9  36 o 99.23206 14.90390 299.5290       84.05898 343.8569       87.50204 -230.7231      302.6362 106.5851 14.36343 67.39758 31.39578 39.18751       34.52539 
1 1 1 5   9  37 o 249.6049 7.571982 1836.889       110.7161 1805.157       117.0011 2108.670       342.4140 247.3454 8.076406 262.1275 22.49067 -14.78215      23.89683 
1 1 1 5   9  38 o 285.2856 7.937112 2401.657       132.6694 2407.603       141.9978 2360.813       372.1735 285.5100 8.489698 276.4551 23.16752 9.054962       24.67405 
1 1 1 5   9  39 o 29.92235 15.06953 -371.3401      121.2119 -296.0645      129.8403 -881.9038      338.1482 34.37189 17.04031 51.69107 25.91419 -17.31918      31.01479 
1 1 1 5   9  40 o 42.64682 18.29522 0.9586194      81.98293 39.89451       85.03247 -512.8558      308.8964 48.74313 19.54507 56.32444 27.60313 -7.581306      33.82222 
1 1 1 5   9  41 o 141.7617 10.77424 603.1623       88.90601 621.8122       93.24288 416.5517       294.9482 143.8358 11.14024 108.0032 37.77986 35.83258       39.38810 
1 1 1 5   9  42 o 43.29232 18.53202 5.463769       83.78437 7.027486       87.21656 -13.23938      301.6319 44.28099 18.93036 74.10756 33.29189 -29.82657      38.29763 
1 1 1 5   9  43 o 53.99009 19.89359 78.13412       82.98397 71.79786       86.04815 162.3781       313.7576 53.33305 20.13610 84.99732 36.10652 -31.66427      41.34179 
1 1 1 5   9  44 o 156.3518 11.26358 740.4193       102.5910 751.2204       108.0203 641.0027       327.7188 157.2525 11.79875 123.9824 39.78427 33.27007       41.49697 
1 1 1 5   9  45 o 66.58131 21.71524 144.3785       97.39391 180.0119       101.6531 -254.3179      340.0265 73.25076 21.94381 64.88290 31.10674 8.367859       38.06783 
1 1 1 5   9  46 o 58.12476 21.62944 96.77818       98.53333 103.9491       102.5859 11.35797       354.0621 59.66163 22.09448 75.67924 34.79451 -16.01760      41.21680 
1 1 1 5   9  47 o 113.9630 16.67552 417.6785       108.1554 478.2759       113.8031 -147.7937      347.6423 122.3146 16.26741 67.68853 32.17372 54.62609       36.05242 
1 1 1 5   9  48 o 39.31093 18.43433 -82.53478      107.2285 -126.4686      112.1132 388.9504       367.2747 37.45014 17.92990 94.41111 39.52572 -56.96097      43.40235 
1 1 1 5   9  49 o 124.8288 22.83685 543.6273       161.0276 570.9514       169.4263 288.3454       517.8670 127.3638 23.54936 89.27531 41.41034 38.08852       47.63810 
1 1 1 5   9  50 o 121.2733 19.70747 495.3490       135.3595 485.8155       137.7409 763.9310       731.0948 119.5683 20.37215 102.2619 48.01161 17.30642       52.15495 
1 1 1 5   10 0  o 226.1685 6.355661 1502.516       84.21947 0.000000       0.000000 1502.516       84.21947 ?        ?        226.1685 6.355661 0.000000       6.355661 
1 1 1 5   10 1  o 272.3792 6.017036 2177.302       96.11852 2074.735       185.2112 2215.108       112.4464 265.3073 11.93385 274.6067 6.987743 -9.299377      13.82915 
1 1 1 5   10 2  o 220.3120 7.953902 1427.136       102.6019 1350.700       148.1479 1497.591       142.2348 213.9634 11.85238 225.4433 10.78898 -11.47993      16.02751 
1 1 1 5   10 3  o 173.0636 7.050552 880.6805       71.41167 822.0834       122.0840 911.1575       88.04544 166.6799 12.58182 175.9262 8.559158 -9.246292      15.21714 
1 1 1 5   10 4  o 545.4722 8.077013 8736.898       258.3889 8792.285       365.6036 8681.625       365.2309 546.8293 11.40009 543.3693 11.46098 3.460022       16.16528 
1 1 1 5   10 5  o 142.6486 5.761174 598.0584       48.09883 581.1937       62.27939 622.9855       75.71651 140.4999 7.586325 145.3712 8.924006 -4.871246      11.71282 
1 1 1 5   10 6  o 256.3656 6.318279 1928.652       94.99682 2048.958       117.6412 1703.173       161.0527 264.0887 7.603464 240.4450 11.45387 23.64369       13.74786 
1 1 1 5   10 7  o 296.3904 5.231071 2577.145       90.92962 2728.975       144.2311 2476.992       117.1419 304.7975 8.075694 290.5280 6.875015 14.26947       10.60578 
1 1 1 5   10 8  o 611.6683 8.217643 10981.55       294.7907 11154.86       450.5642 10851.83       389.8002 616.0966 12.46974 607.8234 10.93488 8.273132       16.58512 
1 1 1 5   10 9  o 590.5941 8.088481 10236.37       280.1602 10107.89       418.6542 10340.56       377.0210 586.5801 12.16964 593.4040 10.83340 -6.823914      16.29302 
1 1 1 5   10 10 o 500.6366 7.743265 7354.416       227.3512 7016.624       375.3003 7550.240       285.7504 488.5329 13.11074 507.1690 9.606908 -18.63611      16.25375 
1 1 1 5   10 11 o 474.9601 7.535381 6618.831       209.9002 6612.033       365.3300 6622.180       256.4544 474.2599 13.14733 475.0139 9.205627 -0.7539978     16.04980 
1 1 1 5   10 12 o 754.0864 10.77888 16693.62       476.7003 16620.81       821.1743 16730.63       585.4451 751.6025 18.62930 754.7076 13.22686 -3.105103      22.84734 
1 1 1 5   10 13 o 71.06406 22.68742 145.5049       106.6754 132.6532       127.2882 175.8300       195.5285 71.13284 24.82320 84.67010 30.63874 -13.53726      39.43252 
1 1 1 5   10 14 o 269.4228 5.585158 2129.248       88.25115 2236.954       133.8454 2046.410       117.3810 275.9771 8.278872 263.9858 7.589581 11.99127       11.23127 
1 1 1 5   10 15 o 831.3369 10.25849 20288.84       500.1624 19854.67       685.2391 20783.91       731.7193 821.9738 14.21457 840.9086 14.83697 -18.93481      20.54725 
1 1 1 5   10 16 o 233.7162 6.596887 1603.813       90.33244 1499.774       138.0688 1681.676       119.4443 225.7749 10.45563 239.2272 8.527063 -13.45229      13.49189 
1 1 1 5   10 17 o 417.9634 6.613414 5125.351       162.1117 5163.438       229.4023 5087.357       229.1192 419.4054 9.326383 416.3014 9.384328 3.104034       13.23053 
1 1 1 5   10 18 o 315.5145 5.975453 2920.517       110.5709 2968.776       159.3919 2875.750       153.5152 317.9189 8.556468 312.9059 8.372934 5.013000       11.97160 
1 1 1 5   10 19 f 613.6730 7.953543 11053.21       286.2518 10971.68       399.3491 11139.37       410.5245 611.1390 11.14197 615.7690 11.36765 -4.630005      15.91751 
1 1 1 5   10 20 o 37.09614 15.44923 8.171670       55.67618 42.13099       93.27737 -10.62346      69.39361 51.89248 20.58193 38.43286 16.66118 13.45962       26.48039 
1 1 1 5   10 21 o 462.6401 8.894846 6285.949       241.3416 6243.296       348.1164 6325.420       334.8852 460.5009 12.90244 463.6021 12.32780 -3.101257      17.84510 
1 1 1 5   10 22 o 463.2546 6.627049 6299.174       180.0489 6192.634       247.4348 6419.071       262.4865 459.1139 9.189455 467.3948 9.575747 -8.280884      13.27181 
1 1 1 5   10 23 o 277.2798 5.690543 2256.417       92.53850 2204.621       131.7329 2306.875       130.0222 273.8330 8.212003 280.1421 7.921822 -6.309113      11.41018 
1 1 1 5   10 24 o 150.7673 6.649054 668.7234       58.64729 613.0592       96.52690 701.2956       73.83865 143.8493 11.53837 154.2765 8.190162 -10.42712      14.14966 
1 1 1 5   10 25 o 174.4381 9.319870 897.4499       94.99972 896.3092       105.5169 902.3314       218.2825 174.2071 10.37475 172.6671 22.05860 1.539932       24.37657 
1 1 1 5   10 26 o 534.1096 7.686888 8383.999       240.7861 8368.617       276.9151 8431.678       487.5406 533.4255 8.851612 533.5528 15.59729 -0.1273193     17.93395 
1 1 1 5   10 27 o 335.9001 6.337991 3314.152       124.8568 3384.982       140.6356 3050.572       271.2966 339.4012 7.065314 320.8166 14.45620 18.58456       16.09038 
1 1 1 5   10 28 o 167.8633 7.416749 829.9725       72.83605 877.9259       77.57133 472.7845       211.7095 172.6266 7.681253 122.1777 29.81338 50.44884       30.78700 
1 1 1 5   10 29 o 473.2628 7.177162 6584.100       199.2075 6654.790       229.4086 6367.394       401.6703 475.6133 8.224418 463.3284 14.80089 12.28494       16.93244 
1 1 1 5   10 30 o 240.6109 6.732158 1702.686       94.90585 1729.081       102.7237 1548.816       248.0235 242.4151 7.233471 227.1651 18.78437 15.24994       20.12898 
1 1 1 5   10 31 o 343.5932 6.993890 3469.904       140.9334 3514.330       157.2315 3288.322       317.8753 345.6938 7.755278 332.3785 16.35722 13.31534       18.10256 
1 1 1 5   10 32 f 205.6644 11.05525 1251.178       132.8553 1286.932       149.0149 1112.627       293.3386 208.3878 12.24689 189.7481 27.13114 18.63962       29.76718 
1 1 1 5   10 33 o 186.3360 8.528152 1024.099       92.94998 1074.239       98.49001 615.6542       281.1055 190.8137 8.824900 138.0594 34.74871 52.75429       35.85180 
1 1 1 5   10 34 o 317.2079 7.306673 2959.712       135.9296 3072.348       149.7779 2433.710       323.6707 323.1026 7.904178 284.3390 19.52817 38.76361       21.06716 
1 1 1 5   10 35 f 318.2849 7.234994 2981.017       135.0531 2995.821       146.8803 2900.044       343.5224 318.9757 7.851550 310.2441 18.97065 8.731598       20.53126 
1 1 1 5   10 36 o 94.12076 17.75208 273.9995       94.39845 258.8891       99.39234 413.1330       301.6004 91.10331 19.20840 113.9497 38.25381 -22.84643      42.80557 
1 1 1 5   10 37 o 166.4598 9.878132 821.7703       96.00135 826.8247       100.7762 772.1929       315.6210 166.8818 10.34761 151.8204 35.99769 15.06143       37.45540 
1 1 1 5   10 38 o 227.0696 8.622164 1524.473       114.6136 1464.712       120.9907 2046.968       357.7546 222.4191 9.295821 256.4989 24.06304 -34.07977      25.79616 
1 1 1 5   10 39 o 201.5842 9.146026 1204.845       107.8466 1244.823       114.0605 867.6305       331.2642 204.8144 9.521703 158.4518 36.41232 46.36258       37.63668 
1 1 1 5   10 40 o 172.7645 10.06354 890.1354       101.5246 875.5351       106.4492 1037.072       337.6960 171.1636 10.65713 172.6292 34.56161 -1.465637      36.16739 
1 1 1 5   10 41 o 47.08387 19.26564 31.34556       84.54939 40.16373       87.59903 -88.72800      323.2464 48.97632 19.76801 73.05589 33.46122 -24.07957      38.86422 
1 1 1 5   10 42 o 34.47705 16.20945 -80.49084      83.84075 -61.18064      86.86241 -343.6445      320.6589 36.92768 17.06959 61.65878 29.72622 -24.73109      34.27855 
1 1 1 5   10 43 o 99.18478 16.46463 310.8559       92.41729 340.0994       96.00346 -58.78131      341.3189 103.9139 16.28779 74.47217 34.21132 29.44177       37.89072 
1 1 1 5   10 44 o 30.02811 14.78962 -182.3982      92.28626 -143.4269      95.44476 -742.1591      361.7267 32.94726 15.96487 54.51458 27.25175 -21.56732      31.58378 
1 1 1 5   10 45 o 53.26293 21.14256 63.25018       98.50353 65.04485       102.1764 39.62508       370.7192 54.05716 21.50866 78.97209 36.04312 -24.91493      41.97295 
1 1 1 5   10 46 f 81.35394 21.05491 225.0991       101.2253 242.1612       105.7136 36.86815       351.1240 84.26088 21.36535 76.33221 34.92893 7.928665       40.94519 
1 1 1 5   10 47 o 157.8222 12.76860 769.6866       117.1765 748.8540       123.8351 947.9279       362.2232 155.0273 13.76313 143.5288 40.99638 11.49850       43.24497 
1 1 1 5   10 48 o 94.16885 21.97435 308.0970       119.1328 324.2117       126.0202 172.6428       365.3643 96.17304 22.70862 81.63034 36.65852 14.54270       43.12225 
1 1 1 5   10 49 o 127.4963 18.87106 539.6271       136.8499 621.5229       144.1389 -209.2218      435.8608 137.3641 18.35057 70.22235 34.04799 67.14177       38.67827 
1 1 1 5   10 50 o 167.6820 14.60572 890.3767       142.2031 856.1506       148.2223 1286.292       504.1221 163.5325 15.64518 142.8667 49.42670 20.66573       51.84371 
1 1 1 5   11 0  o 510.7001 10.88762 7666.292       326.0990 0.000000       0.000000 7666.292       326.0990 ?        ?        510.7001 10.88762 0.000000       10.88762 
1 1 1 5   11 1  o 307.1246 6.286745 2768.154       113.2377 2492.559       195.9975 2906.238       138.7354 290.9416 11.50938 314.6385 7.518390 -23.69687      13.74744 
1 1 1 5   11 2  o 102.8470 5.728394 311.3309       34.41564 224.4868       118.4117 319.3438       35.96835 85.61646 23.06708 104.1538 5.912653 -18.53732      23.81281 
1 1 1 5   11 3  o 498.4252 7.102029 7291.708       207.6027 6935.843       368.3651 7457.350       251.3160 485.4087 12.95116 503.9518 8.503163 -18.54318      15.49311 
1 1 1 5   11 4  o 308.2746 6.610366 2788.869       119.5126 2726.134       187.2260 2832.010       155.2597 304.4305 10.50215 310.4539 8.535389 -6.023499      13.53322 
1 1 1 5   11 5  o 285.6831 6.670264 2394.967       111.7579 2621.144       189.9068 2275.139       138.2276 298.4960 10.86617 278.2547 8.480256 20.24130       13.78363 
1 1 1 5   11 6  o 574.7631 9.303139 9699.407       313.5948 9795.672       505.5437 9639.198       399.8123 576.8417 14.95609 572.7469 11.90263 4.094788       19.11432 
1 1 1 5   11 7  o 509.3686 9.708560 7617.583       290.0264 8173.725       438.5181 7185.167       386.6748 527.0778 14.19901 494.2514 13.35197 32.82645       19.49069 
1 1 1 5   11 8  o 152.6502 10.30007 687.2532       91.67223 617.0403       117.7159 795.4559       146.1322 144.2100 14.09828 163.7593 15.39623 -19.54935      20.87595 
1 1 1 5   11 9  o 342.4765 8.279752 3441.882       166.3025 3578.317       232.1170 3297.981       238.3826 348.9033 11.35875 334.8816 12.15778 14.02173       16.63829 
1 1 1 5   11 10 o 501.8973 8.597983 7392.112       253.0824 7299.174       315.5478 7559.702       423.7333 498.6273 10.79042 507.0303 14.26396 -8.402985      17.88557 
1 1 1 5   11 11 f 533.6050 8.204193 8354.940       256.7476 8219.614       435.7646 8426.897       317.7586 528.7462 14.06501 535.8074 10.11203 -7.061157      17.32274 
1 1 1 5   11 12 o 528.8701 8.205335 8207.375       254.5047 7880.210       424.2418 8391.313       318.1024 517.7098 13.98539 534.6706 10.14449 -16.96082      17.27720 
1 1 1 5   11 13 o 473.3048 6.611063 6571.942       183.5113 6228.141       242.2129 7035.234       281.1711 460.6732 8.965075 489.5748 9.792669 -28.90161      13.27663 
1 1 1 5   11 14 o 442.0635 6.489280 5733.003       168.2410 5724.182       237.4684 5741.892       238.3915 441.6260 9.168551 442.3077 9.190005 -0.6817017     12.98147 
1 1 1 5   11 15 o 986.3101 12.00014 28571.63       694.1451 27713.08       938.5385 29608.37       1031.351 970.6974 16.48609 1003.146 17.53041 -32.44855      24.06463 
1 1 1 5   11 16 f 631.8440 8.268821 11716.25       306.4107 11506.91       421.7245 11950.33       445.9500 625.9404 11.48802 637.8489 11.92114 -11.90845      16.55561 
1 1 1 5   11 17 o 639.1982 8.282066 11991.37       310.4737 11609.85       419.0782 12455.53       462.2404 628.7067 11.36571 651.1309 12.10456 -22.42413      16.60421 
1 1 1 5   11 18 o 150.4697 10.87345 668.4561       95.30759 676.8582       104.6210 627.4680       231.0761 151.3182 11.88431 143.0187 28.54994 8.299530       30.92468 
1 1 1 5   11 19 o 840.1791 11.05875 20739.73       544.9146 20535.26       632.5494 21328.13       1073.027 835.7355 12.90551 849.4557 21.55611 -13.72021      25.12406 
1 1 1 5   11 20 o 271.2015 7.335182 2160.478       116.5613 2196.023       130.1434 2016.350       262.0625 273.3721 8.126431 260.9572 17.21944 12.41489       19.04069 
1 1 1 5   11 21 o 457.7790 7.015882 6151.510       188.3600 6058.092       211.7897 6505.034       412.0018 454.2231 7.950329 469.6512 14.97714 -15.42810      16.95648 
1 1 1 5   11 22 o 382.4461 6.484327 4293.403       145.4406 4375.979       165.1772 4008.479       306.8218 386.0544 7.295434 368.5567 14.22156 17.49774       15.98362 
1 1 1 5   11 23 o 38.19997 18.04223 -121.0088      106.0380 -129.5366      130.1480 -104.1700      182.8829 43.50468 20.37142 56.24255 25.53118 -12.73787      32.66245 
1 1 1 5   11 24 o 292.4773 6.202792 2511.543       106.3971 2525.334       117.1448 2446.559       254.2826 293.2420 6.811554 287.4025 15.13944 5.839508       16.60121 
1 1 1 5   11 25 o 399.2258 6.571164 4680.925       153.8549 4677.314       173.3890 4694.298       333.6573 398.9877 7.409885 398.3916 14.30360 0.5960693      16.10898 
1 1 1 5   11 26 o 386.1847 6.542267 4380.745       148.1746 4396.276       166.0007 4319.859       328.6776 386.7862 7.317931 381.9065 14.70193 4.879700       16.42251 
1 1 1 5   11 27 o 141.6130 10.73119 594.3889       88.46200 620.8659       96.35577 452.3675       223.1621 144.6459 11.45189 119.4628 31.43320 25.18315       33.45432 
1 1 1 5   11 28 o 529.1520 7.704662 8233.509       239.1028 8203.313       274.0431 8329.790       489.3497 527.9474 8.850702 529.6781 15.77033 -1.730713      18.08420 
1 1 1 5   11 29 o 405.6425 6.749351 4835.720       160.5669 4924.488       184.8999 4563.471       323.8108 409.2128 7.704369 392.3693 14.09457 16.84344       16.06282 
1 1 1 5   11 30 o 232.4159 7.064311 1589.238       96.17932 1667.023       103.8385 1119.548       255.1616 237.9975 7.448525 191.6604 23.17007 46.33711       24.33789 
1 1 1 5   11 31 o 284.7795 7.751291 2386.675       129.3389 2386.675       129.3389 0.000000       0.000000 284.7795 7.751291 ?        ?        0.000000       7.751291 
1 1 1 5   11 32 o 42.52192 18.17212 -1.152592      80.31999 27.96196       83.73831 -336.0771      284.0159 47.40211 19.25661 60.91792 28.99113 -13.51580      34.80377 
1 1 1 5   11 33 o 583.0569 8.475232 10007.58       289.8098 10292.05       340.8742 9265.712       550.4811 590.8884 9.836445 557.6037 16.85253 33.28467       19.51316 
1 1 1 5   11 34 o 73.81118 18.40497 169.3211       79.39550 205.0967       82.17599 -332.6658      307.8206 81.34364 17.72738 64.18002 30.43910 17.16362       35.22498 
1 1 1 5   11 35 o 111.1799 13.73695 372.5771       87.66777 418.4838       91.36781 -160.0334      311.2148 117.9867 13.44367 72.00062 32.92312 45.98609       35.56211 
1 1 1 5   11 36 o 163.3200 9.630923 790.4219       91.83868 789.8298       95.94190 796.9041       317.4288 163.1786 10.07436 154.7738 35.69826 8.404739       37.09257 
1 1 1 5   11 37 o 315.5876 7.555287 2934.516       139.8368 2887.465       150.4153 3234.162       379.5875 312.8077 8.206148 326.1546 19.93969 -13.34686      21.56228 
1 1 1 5   11 38 o 175.0182 9.928014 909.6519       101.4872 892.2463       106.3287 1087.831       340.2001 173.1974 10.51745 181.0726 33.26078 -7.875229      34.88404 
1 1 1 5   11 39 o 111.9060 14.80055 382.6141       94.75710 395.3185       99.16527 249.1732       321.3866 113.6363 15.26540 96.71278 38.25332 16.92353       41.18676 
1 1 1 5   11 40 o 57.37049 20.67868 89.77541       88.95824 97.99986       92.68177 -6.455078      317.0276 59.25764 21.13701 77.49625 34.52043 -18.23860      40.47757 
1 1 1 5   11 41 o 33.14572 15.86386 -112.8120      87.60703 -115.6341      91.07314 -77.83962      320.6049 33.87594 16.20289 73.03838 33.40462 -39.16244      37.12685 
1 1 1 5   11 42 o 117.6213 14.62905 427.5107       98.73957 453.3387       103.0617 138.8047       344.5717 121.0884 14.82119 85.97440 37.19913 35.11395       40.04301 
1 1 1 5   11 43 f 100.4060 17.35073 321.3732       98.47695 321.0764       102.6544 324.7985       348.7534 99.98944 18.17469 97.03864 39.34345 2.950806       43.33851 
1 1 1 5   11 44 o 147.6819 12.46210 667.0344       106.9303 655.1541       111.4194 805.6196       380.5447 146.0140 13.15196 134.1770 42.85201 11.83699       44.82487 
1 1 1 5   11 45 o 41.44382 18.90504 -45.74743      101.8151 -89.73617      105.3695 573.4704       395.3356 38.72605 18.19604 111.2993 42.88181 -72.57329      46.58267 
1 1 1 5   11 46 o 39.91646 18.51513 -66.36713      103.5249 -55.22218      107.6695 -202.8253      376.7500 41.72950 19.18633 68.48836 32.81089 -26.75886      38.00881 
1 1 1 5   11 47 o 54.46491 22.02275 65.93979       108.9391 109.3403       113.8802 -401.8920      373.8917 60.98270 23.13288 61.64968 30.24484 -0.6669846     38.07730 
1 1 1 5   11 48 o 140.0996 15.08533 622.5376       121.9977 642.2455       127.4678 407.5869       420.9682 141.9837 15.56246 94.46259 40.99322 47.52110       43.84785 
1 1 1 5   11 49 o 243.6810 10.74773 1811.155       153.2213 1741.566       160.7184 2505.282       507.5930 238.2486 11.53659 243.3358 36.70901 -5.087219      38.47914 
1 1 1 5   12 0  o 352.0627 6.694046 3637.276       138.2163 3269.530       224.7989 3860.792       175.2571 333.3561 11.51563 362.6509 8.240173 -29.29477      14.16017 
1 1 1 5   12 1  o 158.3446 8.465844 738.1743       78.33258 573.0435       135.7057 820.6856       95.92693 138.4377 17.07601 166.8751 9.845385 -28.43741      19.71096 
1 1 1 5   12 2  o 378.3580 6.908896 4200.948       153.3070 3843.044       238.4673 4453.073       200.1495 361.4864 11.26202 389.4588 8.762790 -27.97235      14.26954 
1 1 1 5   12 3  o 402.7372 6.248574 4758.989       147.5887 4571.658       272.0045 4837.154       175.7023 394.2662 11.77669 405.9849 7.379330 -11.71872      13.89766 
1 1 1 5   12 4  o 533.8032 7.520541 8362.241       235.4403 8274.235       435.5136 8398.582       279.8605 530.2904 14.01581 534.8766 8.921492 -4.586182      16.61433 
1 1 1 5   12 5  o 323.5802 6.805003 3072.147       129.1400 3281.966       215.0857 2953.871       161.4874 334.1082 10.99171 317.1121 8.691305 16.99606       14.01273 
1 1 1 5   12 6  o 611.4635 9.784159 10976.22       350.8687 11423.05       585.9010 10726.37       438.1155 622.9857 16.04935 604.2604 12.36272 18.72528       20.25878 
1 1 1 5   12 7  o 609.5699 11.08786 10910.62       396.3893 10963.13       558.7515 10857.42       562.4249 610.4346 15.62018 607.4592 15.80031 2.975464       22.21801 
1 1 1 5   12 8  o 522.2666 9.969647 8006.567       305.3673 8258.686       439.8711 7772.026       424.2610 529.9635 14.16506 514.1086 14.08436 15.85492       19.97544 
1 1 1 5   12 9  o 423.5103 8.914356 5263.634       221.4137 5390.645       311.1215 5133.296       315.1703 428.2556 12.40035 417.8606 12.87603 10.39493       17.87626 
1 1 1 5   12 10 o 464.4156 9.393762 6330.017       255.8567 6282.775       347.9688 6385.620       377.5054 462.3302 12.84572 466.0149 13.82781 -3.684723      18.87382 
1 1 1 5   12 11 o 66.61267 23.37268 115.1400       112.9417 39.36434       139.7787 257.6558       191.6937 60.78577 24.80970 94.57523 30.43499 -33.78945      39.26588 
1 1 1 5   12 12 f 590.8297 9.732274 10246.18       337.2307 10256.60       421.8025 10227.73       561.4269 590.9701 12.17007 589.5695 16.25258 1.400635       20.30411 
1 1 1 5   12 13 o 528.8969 7.707598 8207.942       239.0785 8177.181       272.2943 8311.456       499.5026 527.8549 8.795763 531.4274 16.04505 -3.572510      18.29778 
1 1 1 5   12 14 o 405.5623 8.286591 4826.845       197.0988 5077.025       230.3040 4142.023       381.0339 415.8931 9.442113 374.8135 17.38129 41.07965       19.78036 
1 1 1 5   12 15 o 477.7630 8.462674 6698.972       237.1214 6579.955       270.5509 7093.279       492.4508 473.4356 9.744006 490.6922 17.13841 -17.25662      19.71473 
1 1 1 5   12 16 o 1037.846 13.25145 31654.77       806.5792 31628.53       945.6880 31724.79       1544.961 1036.988 15.54976 1035.954 25.42884 1.034180       29.80639 
1 1 1 5   12 17 o 1379.151 17.52799 56006.88       1417.733 55527.07       1651.542 57350.75       2763.985 1372.181 20.52239 1387.730 33.96097 -15.54980      39.68017 
1 1 1 5   12 18 o 1165.508 15.00479 39970.30       1025.641 39781.01       1203.212 40473.42       1961.603 1161.981 17.65602 1167.554 28.64729 -5.573486      33.65118 
1 1 1 5   12 19 o 312.8484 6.266271 2872.028       114.9724 2865.039       124.9630 2910.568       293.4485 312.4476 6.819520 313.9417 15.99062 -1.494080      17.38407 
1 1 1 5   12 20 f 426.3981 6.776698 5336.444       169.4665 5335.132       190.7129 5341.368       369.4554 426.2932 7.628185 425.5976 14.82436 0.6955872      16.67186 
1 1 1 5   12 21 o 381.1581 6.500039 4264.337       145.3020 4266.948       162.4271 4253.877       325.1088 381.2288 7.264779 379.6664 14.62815 1.562378       16.33278 
1 1 1 5   12 22 f 54.78545 19.58429 75.80840       79.60847 104.4817       85.72791 -103.7957      214.5564 61.09529 20.39303 62.02158 27.95173 -0.9262848     34.60021 
1 1 1 5   12 23 o 223.5394 6.360324 1468.292       83.29944 1446.786       90.14150 1594.036       217.9703 221.8521 6.936570 231.6878 16.14242 -9.835770      17.56968 
1 1 1 5   12 24 o 305.8516 6.278105 2746.821       112.6133 2766.116       124.3073 2658.503       265.9525 306.8802 6.906806 299.5363 15.18881 7.343842       16.68544 
1 1 1 5   12 25 f 454.9174 7.043739 6080.017       187.9258 6031.349       213.0796 6250.415       398.7046 452.9664 8.020942 459.5359 14.81321 -6.569489      16.84537 
1 1 1 5   12 26 f 300.1457 6.404817 2646.263       112.7429 2720.903       124.0655 2292.422       270.1279 304.3025 6.951762 277.4998 16.67494 26.80270       18.06601 
1 1 1 5   12 27 o 351.4902 6.397460 3629.607       131.8777 3612.274       145.5890 3708.846       311.2827 350.5761 7.081017 353.5013 15.04902 -2.925171      16.63171 
1 1 1 5   12 28 o 296.4605 6.378123 2582.272       110.8946 2614.810       120.6445 2405.020       281.5828 298.2733 6.896718 283.9370 16.98728 14.33624       18.33391 
1 1 1 5   12 29 o 220.5399 6.987484 1431.037       90.26306 1451.224       96.41125 1287.736       256.8750 222.0450 7.413883 206.2084 21.55869 15.83653       22.79787 
1 1 1 5   12 30 o 220.2578 7.724263 1428.387       99.62451 1473.245       106.9578 1134.503       273.7682 223.6407 8.168480 192.4416 24.83528 31.19916       26.14413 
1 1 1 5   12 31 o 277.9533 9.002334 2276.661       146.5562 2174.958       161.7939 2741.583       345.9274 271.4805 10.17989 302.3902 19.61172 -30.90973      22.09637 
1 1 1 5   12 32 o 50.27180 19.12261 53.76522       77.95004 100.4968       80.81562 -570.3636      295.3433 59.46360 19.79900 54.53682 26.78073 4.926777       33.30478 
1 1 1 5   12 33 o 250.4124 7.724238 1846.756       113.3032 1820.737       120.3096 2050.827       336.9370 248.5627 8.264527 259.9318 22.31820 -11.36908      23.79926 
1 1 1 5   12 34 o 121.9878 12.11932 444.6856       85.55980 459.1987       89.52242 291.5503       290.7968 123.9108 12.48913 102.1491 37.30547 21.76167       39.34052 
1 1 1 5   12 35 o 88.40362 16.22685 240.5029       81.03139 241.9264       84.49500 224.2002       285.9479 88.52206 16.89139 95.02558 36.50660 -6.503525      40.22501 
1 1 1 5   12 36 o 42.32811 18.20660 -3.552875      81.59590 -5.168666      85.23281 14.17751       282.3405 43.05560 18.56454 77.93262 33.69620 -34.87703      38.47175 
1 1 1 5   12 37 o 66.46400 20.96043 133.7415       91.29303 131.9094       94.73489 157.5888       341.7921 66.36106 21.39924 93.44100 38.53812 -27.07994      44.08077 
1 1 1 5   12 38 o 200.4403 9.659979 1192.121       113.2221 1213.238       119.4536 1005.416       355.1887 202.0993 10.11033 171.4124 36.45440 30.68690       37.83044 
1 1 1 5   12 39 o 232.6959 8.502919 1604.487       115.8447 1605.905       123.0194 1593.383       344.2493 232.6435 9.033548 221.8648 27.01272 10.77873       28.48319 
1 1 1 5   12 40 o 77.66683 19.21362 193.8625       87.03057 171.7632       90.38896 474.7873       322.2708 73.06979 20.34479 113.7643 39.51033 -40.69454      44.44070 
1 1 1 5   12 41 o 71.52637 21.08829 165.5229       94.47708 173.7322       98.60876 73.67214       329.8402 73.14281 21.53909 81.68238 35.84848 -8.539566      41.82160 
1 1 1 5   12 42 o 98.43146 17.13187 307.2992       95.30791 322.0565       99.08561 124.7600       348.4860 100.7031 17.40657 85.06599 37.10147 15.63708       40.98180 
1 1 1 5   12 43 o 102.3019 17.65069 335.0357       102.0747 366.2378       106.1339 -49.62581      372.6507 107.1321 17.49540 76.71193 35.42270 30.42013       39.50768 
1 1 1 5   12 44 o 141.2027 13.05153 613.0536       106.8597 585.7772       111.3148 933.4980       381.5367 137.5303 13.99557 145.7566 42.21341 -8.226334      44.47300 
1 1 1 5   12 45 o 53.54631 21.48206 61.83412       102.7768 93.81287       106.5982 -360.3451      387.3180 58.58961 22.34406 65.23927 31.73858 -6.649658      38.81487 
1 1 1 5   12 46 o 46.99273 20.51773 3.744412       106.8217 13.51150       110.4093 -139.2615      422.4742 48.68553 21.06104 73.58852 35.11522 -24.90298      40.94687 
1 1 1 5   12 47 o 53.63275 22.02757 57.51194       111.0541 93.20866       115.7234 -358.2508      394.9387 58.84383 23.05177 64.39169 31.48386 -5.547863      39.02074 
1 1 1 5   12 48 o 41.75167 19.52801 -80.83458      119.0203 -38.99416      123.7215 -600.2227      435.9063 45.81232 20.87545 61.29997 30.52880 -15.48765      36.98367 
1 1 1 5   12 49 o 77.19396 25.75401 217.6290       136.7280 263.7875       141.5595 -424.1603      527.8484 84.15459 26.03502 70.15630 34.70523 13.99829       43.38520 
1 1 1 5   13 0  o 573.5407 15.06852 9680.538       506.4177 9680.538       506.4177 0.000000       0.000000 573.5407 15.06852 ?        ?        0.000000       15.06852 
1 1 1 5   13 1  o 462.9207 10.24390 6292.250       278.1137 6320.126       354.6885 6247.755       448.1181 463.5717 13.05908 460.4900 16.62014 3.081696       21.13690 
1 1 1 5   13 2  o 271.4138 8.117915 2163.821       129.0739 2313.401       185.2647 2022.734       179.9284 280.4320 11.28763 262.1574 11.73246 18.27466       16.28070 
1 1 1 5   13 3  o 622.1514 8.525277 11360.17       311.0678 11271.94       574.2191 11396.82       370.0735 618.8812 15.83349 623.0445 10.12788 -4.163269      18.79556 
1 1 1 5   13 4  o 75.91606 7.186426 170.6108       31.61520 182.3056       121.0693 169.7550       32.75158 78.54758 24.03716 75.69405 7.475163 2.853523       25.17266 
1 1 1 5   13 5  o 302.7420 5.515540 2688.479       97.92899 2618.177       192.2563 2713.110       113.7982 298.4114 11.00421 304.1090 6.380513 -5.697571      12.72021 
1 1 1 5   13 6  o 213.8561 6.912290 1343.163       86.58112 1311.477       142.5047 1361.704       109.0073 211.0211 11.55885 215.2360 8.653195 -4.214951      14.43900 
1 1 1 5   13 7  o 492.4875 8.517668 7117.388       246.0178 7607.915       415.6183 6852.813       305.2375 508.6814 13.94467 483.1441 10.77236 25.53735       17.62094 
1 1 1 5   13 8  o 823.9047 14.34206 19945.44       693.0094 20438.88       1008.967 19504.76       953.5093 833.1408 20.64943 813.9880 19.97360 19.15283       28.72879 
1 1 1 5   13 9  o 544.8452 10.41653 8714.184       332.8487 8658.192       458.0009 8776.855       484.5594 542.6403 14.40416 546.2713 15.13934 -3.631042      20.89688 
1 1 1 5   13 10 o 415.5636 9.364540 5068.439       228.2309 5062.107       304.2316 5076.591       345.1641 414.9741 12.51496 415.4224 14.18806 -0.4483643     18.91891 
1 1 1 5   13 11 o 256.5228 10.70405 1935.241       160.6828 2036.500       203.9151 1769.378       260.9801 262.9614 13.26514 244.5406 18.33066 18.42076       22.62691 
1 1 1 5   13 12 o 455.5842 10.52312 6093.530       281.1665 6070.253       374.9733 6123.427       424.9606 454.2844 14.09118 456.0804 15.91192 -1.796051      21.25443 
1 1 1 5   13 13 o 228.3340 14.28445 1538.238       190.3284 1612.933       229.7239 1374.725       339.8869 233.5582 16.88506 213.8710 27.75141 19.68726       32.48454 
1 1 1 5   13 14 o 411.7623 8.962699 4976.474       216.4392 4691.612       243.3856 6053.468       473.2430 399.6045 10.39401 453.1613 17.84146 -53.55679      20.64832 
1 1 1 5   13 15 o 82.81741 28.69458 183.1280       169.9343 73.73592       209.5463 393.2793       290.4378 75.58797 30.55083 116.2614 37.46688 -40.67342      48.34378 
1 1 1 5   13 16 o 670.6226 9.008227 13202.29       354.2975 13218.51       411.3409 13155.66       697.3572 670.9080 10.45414 668.1467 17.81232 2.761292       20.65352 
1 1 1 5   13 17 o 293.8821 6.343223 2534.124       109.3286 2503.437       117.6671 2727.901       295.6880 292.0822 6.869097 303.9236 16.65257 -11.84149      18.01368 
1 1 1 5   13 18 o 397.8680 6.601269 4645.398       154.0341 4619.567       172.2368 4748.595       344.2599 396.7222 7.402679 401.4114 14.64789 -4.689270      16.41220 
1 1 1 5   13 19 o 432.4850 6.865582 5489.878       174.1402 5408.917       193.6515 5832.004       398.0845 429.2337 7.692660 444.6890 15.28673 -15.45529      17.11319 
1 1 1 5   13 20 o 601.8427 11.35442 10651.90       400.7732 10249.31       526.5463 11206.31       617.9119 589.4922 15.24307 615.9557 17.12175 -26.46350      22.92391 
1 1 1 5   13 21 o 391.7393 6.486573 4504.830       149.0263 4475.024       165.8578 4629.728       339.5180 390.3898 7.244141 396.0023 14.64412 -5.612518      16.33793 
1 1 1 5   13 22 f 279.3905 6.150117 2291.507       100.7733 2302.891       109.8060 2230.731       253.7203 280.0557 6.685459 274.3674 15.83511 5.688324       17.18855 
1 1 1 5   13 23 o 296.8474 6.153452 2587.206       107.1279 2675.563       120.1170 2243.665       236.8489 301.8330 6.785582 275.2395 14.72631 26.59344       16.21445 
1 1 1 5   13 24 o 178.6248 7.013799 938.7527       73.33319 938.2653       77.41010 943.0180       228.9884 178.5439 7.408780 176.3147 22.66885 2.229202       23.84883 
1 1 1 5   13 25 o 341.9493 6.350339 3434.384       127.3530 3449.932       141.2635 3366.896       294.3080 342.6599 7.029364 337.0173 14.92720 5.642548       16.49949 
1 1 1 5   13 26 o 356.1223 6.371333 3725.676       133.0699 3834.108       150.8429 3345.159       282.5740 361.1860 7.121041 335.9072 14.37699 25.27887       16.04391 
1 1 1 5   13 27 o 539.4507 7.855411 8558.194       248.5256 8524.749       284.3440 8666.426       511.5076 538.1502 9.009277 540.0970 16.16661 -1.946838      18.50747 
1 1 1 5   13 28 o 44.43782 16.91893 41.30954       61.05418 53.48936       62.97328 -149.4364      249.2089 47.27964 17.34522 64.38971 29.44990 -17.11007      34.17826 
1 1 1 5   13 29 o 103.5083 12.29542 320.8044       73.18294 349.5032       76.48424 9.725436       251.8116 108.1020 12.28133 74.98119 32.11300 33.12082       34.38134 
1 1 1 5   13 30 o 49.67050 18.99852 50.96959       77.21394 106.4786       80.32661 -623.9156      280.0869 60.64867 19.71684 50.87706 25.18830 9.771606       31.98756 
1 1 1 5   13 31 o 341.6700 7.250820 3432.055       145.2929 3552.204       159.4348 2843.495       352.8729 347.5258 7.822499 307.9043 19.64368 39.62152       21.14393 
1 1 1 5   13 32 o 190.0548 9.148785 1066.368       101.6753 1075.194       107.1937 987.2141       321.0253 190.7752 9.611657 176.3081 32.23422 14.46709       33.63672 
1 1 1 5   13 33 o 261.3164 7.557087 2010.880       115.6952 2078.610       125.3214 1620.122       301.0164 265.6089 8.054416 230.5935 22.54608 35.01546       23.94158 
1 1 1 5   13 34 o 181.1362 9.656031 970.9729       102.2074 969.5392       107.5832 984.2529       327.4230 180.9102 10.18092 174.3721 33.22990 6.538010       34.75453 
1 1 1 5   13 35 o 103.0472 15.14228 323.1466       88.78474 314.7589       92.38457 424.5264       321.1845 101.4509 16.06144 115.5519 39.47132 -14.10105      42.61402 
1 1 1 5   13 36 o 57.09619 20.50308 85.33060       87.35941 70.53400       90.72169 273.9245       323.8874 55.08695 20.70228 101.4398 38.88295 -46.35282      44.05075 
1 1 1 5   13 37 o 180.1160 9.670290 962.3627       101.7764 937.0312       105.9823 1262.653       364.8993 177.6039 10.21803 195.8754 32.93184 -18.27151      34.48063 
1 1 1 5   13 38 o 109.9808 25.90700 394.5944       164.3329 374.5661       187.6278 460.5629       340.5214 106.2552 29.20782 116.3068 40.60003 -10.05159      50.01459 
1 1 1 5   13 39 o 106.0825 14.68483 345.5427       88.91412 342.5118       91.87622 390.2862       353.0096 105.4081 15.30939 108.0432 40.78638 -2.635040      43.56496 
1 1 1 5   13 40 o 162.9016 10.67100 795.7670       101.3872 792.3251       105.7066 835.3183       358.3333 162.3772 11.16811 147.3904 40.30349 14.98685       41.82222 
1 1 1 5   13 41 o 222.0595 8.790549 1468.574       114.2554 1461.649       119.5401 1541.740       388.5662 221.3611 9.228162 208.5517 32.85475 12.80940       34.12614 
1 1 1 5   13 42 o 62.24815 21.71364 116.8920       97.38951 106.1687       100.9576 260.6030       369.5898 60.76574 22.01208 93.95731 39.51284 -33.19157      45.23048 
1 1 1 5   13 43 o 76.40807 22.13436 196.0325       104.8869 160.0032       109.2554 619.7300       374.6650 69.94264 23.01057 118.4824 42.47097 -48.53977      48.30393 
1 1 1 5   13 44 o 160.5819 12.29401 788.4135       114.9015 841.7134       120.1213 214.8085       394.0606 165.8688 12.43884 88.95490 39.10703 76.91386       41.03760 
1 1 1 5   13 45 o 120.0345 16.54496 460.1716       113.3776 453.0228       117.7914 550.2358       418.0922 118.5516 17.46429 107.3682 43.23951 11.18341       46.63322 
1 1 1 5   13 46 o 60.74451 22.54412 111.0932       106.9090 130.6448       110.9356 -143.6575      400.4404 64.07409 23.09256 71.55299 34.15586 -7.478905      41.22971 
1 1 1 5   13 47 o 62.49942 23.60235 118.4289       118.2384 148.9191       123.4147 -222.3456      412.5916 67.25304 24.34087 69.28050 33.47924 -2.027466      41.39248 
1 1 1 5   13 48 o 47.71115 21.57206 -26.53170      129.0020 -62.58825      134.5705 382.2919       453.1330 45.92747 21.23552 92.27004 41.17488 -46.34257      46.32838 
1 1 1 5   13 49 o 68.07345 24.67078 158.1418       126.8379 178.1978       130.8582 -153.2923      515.6581 71.11269 25.14083 75.12157 36.56323 -4.008881      44.37264 
1 1 1 5   14 0  o 397.5394 12.77685 4647.020       297.5021 4647.020       297.5021 0.000000       0.000000 397.5394 12.77685 ?        ?        0.000000       12.77685 
1 1 1 5   14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   14 2  o 915.4100 14.04255 24622.85       753.8969 23017.70       1088.358 26103.47       1045.288 883.9572 20.99375 941.7474 18.92566 -57.79022      28.26514 
1 1 1 5   14 3  o 480.7907 8.548966 6783.527       241.0573 7259.500       407.9013 6528.083       298.8212 496.8648 14.01200 471.5467 10.80529 25.31812       17.69436 
1 1 1 5   14 4  o 279.9843 6.172874 2299.600       101.3612 2126.578       183.2984 2375.815       121.6541 268.8636 11.65222 284.4713 7.297877 -15.60773      13.74893 
1 1 1 5   14 5  o 662.5017 8.905893 12880.50       346.0310 13057.97       660.0474 12813.23       406.3480 666.1631 16.90812 660.6702 10.48728 5.492920       19.89642 
1 1 1 5   14 6  o 579.6768 9.549973 9862.312       324.6673 10311.95       544.0656 9613.641       404.6039 592.0914 15.68175 572.1710 12.05740 19.92035       19.78126 
1 1 1 5   14 7  o 555.2495 9.276620 9048.206       302.0845 9184.212       489.0227 8964.282       384.1411 558.8347 14.93429 552.5212 11.85472 6.313416       19.06744 
1 1 1 5   14 8  o 405.9942 9.245527 4837.582       220.1415 4881.914       301.1367 4786.696       322.6275 407.5073 12.61540 403.4217 13.65583 4.085602       18.59113 
1 1 1 5   14 9  o 329.9746 9.456593 3198.391       182.8174 3199.078       240.0771 3197.442       282.0511 329.8029 12.43438 329.5300 14.63075 0.2729492      19.20085 
1 1 1 5   14 10 o 323.9617 10.11215 3083.851       191.8913 3101.366       248.6455 3058.054       301.7491 324.6591 13.08559 322.1058 16.02369 2.553345       20.68795 
1 1 1 5   14 11 f 584.6927 11.58643 10039.34       397.3085 9743.743       526.1432 10431.54       606.0497 575.4720 15.60379 595.2147 17.37999 -19.74268      23.35685 
1 1 1 5   14 12 o 222.1420 14.91043 1457.136       193.1296 1483.952       241.1673 1409.195       322.4654 223.7674 18.54320 216.9065 25.85750 6.860901       31.81919 
1 1 1 5   14 13 o 1301.772 22.19226 49982.44       1694.288 49008.05       2319.572 51096.90       2480.706 1285.589 30.76488 1311.986 32.24004 -26.39746      44.56341 
1 1 1 5   14 14 o 780.7334 12.32435 17908.38       564.3094 18146.69       724.0219 17539.56       900.7114 785.4410 15.71765 771.2098 19.93089 14.23126       25.38277 
1 1 1 5   14 15 o 399.9458 7.686425 4694.272       180.2918 4669.525       205.5920 4776.667       375.1388 398.8414 8.789325 402.6030 15.91921 -3.761597      18.18443 
1 1 1 5   14 16 o 544.7636 7.743845 8710.135       247.4089 8778.659       286.3309 8508.228       491.4971 546.8218 8.928365 537.4534 15.60953 9.368347       17.98258 
1 1 1 5   14 17 o 97.60878 9.987740 282.7670       56.36982 295.1822       57.98981 69.82443       240.1632 99.74313 10.05019 79.39108 32.47572 20.35205       33.99527 
1 1 1 5   14 18 o 581.4713 8.146759 9927.313       277.8201 9651.672       310.5042 11033.73       622.0918 573.2375 9.235966 611.3948 17.36691 -38.15729      19.67009 
1 1 1 5   14 19 o 665.5955 8.990367 13013.80       350.9444 13495.98       424.1420 11967.05       624.9225 677.5707 10.67348 636.6709 16.75090 40.89978       19.86242 
1 1 1 5   14 20 o 412.9593 6.630520 5006.176       160.5851 5068.701       181.3657 4779.271       345.5015 415.4716 7.443264 402.3814 14.66522 13.09021       16.44600 
1 1 1 5   14 21 o 363.4798 6.283693 3878.500       133.9509 3820.991       147.6695 4145.591       318.2367 360.7280 6.980080 374.6099 14.51252 -13.88190      16.10387 
1 1 1 5   14 22 o 499.3481 7.310225 7324.350       214.0842 7485.077       250.8177 6892.996       410.8954 504.6492 8.474577 482.9945 14.52219 21.65466       16.81406 
1 1 1 5   14 23 o 390.7921 6.506023 4485.051       149.1118 4548.709       170.6439 4279.472       306.6554 393.4691 7.394851 380.4915 13.76485 12.97766       15.62546 
1 1 1 5   14 24 f 178.5220 6.922201 937.7046       72.33735 931.0988       76.22344 997.5774       229.4787 177.8554 7.323201 181.4824 22.00973 -3.627014      23.19606 
1 1 1 5   14 25 o 156.3028 7.351396 719.6429       67.19988 707.8469       70.25381 846.5408       230.4255 154.9740 7.754295 166.1748 24.36733 -11.20082      25.57138 
1 1 1 5   14 26 o 111.0951 9.752047 366.2679       62.89507 374.0641       65.62688 278.4297       220.2845 112.2355 10.07730 97.34425 32.69283 14.89125       34.21071 
1 1 1 5   14 27 o 253.1693 6.657969 1884.816       98.77029 1864.001       105.6308 2029.616       278.6103 251.7107 7.162758 260.3603 18.36399 -8.649597      19.71145 
1 1 1 5   14 28 o 443.5544 7.198442 5783.669       187.2561 5944.227       213.4245 5246.729       390.2945 449.5200 8.095521 420.1501 15.86787 29.36984       17.81367 
1 1 1 5   14 29 o 200.4449 10.17713 1187.013       119.2470 1296.624       130.8962 652.1199       289.1560 209.4394 10.69197 142.3546 34.90655 67.08485       36.50733 
1 1 1 5   14 30 o 263.1550 9.023956 2041.021       139.0645 1970.119       152.1029 2402.197       343.2963 258.3792 10.05680 282.5490 20.86408 -24.16983      23.16137 
1 1 1 5   14 31 o 253.7966 7.597406 1896.075       112.9568 1879.116       119.2445 2044.286       352.5109 252.5974 8.059632 259.4622 23.41763 -6.864746      24.76576 
1 1 1 5   14 32 o 220.8285 7.850292 1436.773       101.5079 1470.090       107.9196 1181.109       298.9504 223.3222 8.254025 195.1600 26.82826 28.16211       28.06928 
1 1 1 5   14 33 o 288.7595 7.569891 2455.667       128.0860 2476.178       137.7020 2324.003       348.8806 289.8720 8.107938 276.6403 21.67657 13.23169       23.14330 
1 1 1 5   14 34 o 114.1153 13.30522 391.7499       87.37778 385.7010       90.57029 473.0432       332.0273 113.0777 13.95270 120.9209 40.12740 -7.843216      42.48395 
1 1 1 5   14 35 o 381.7048 7.477658 4291.308       167.3955 4240.511       182.1825 4566.667       424.1677 379.2724 8.190397 388.9123 18.65104 -9.639862      20.37017 
1 1 1 5   14 36 o 151.2525 11.14480 681.6273       98.16685 629.1090       101.8947 1360.232       366.2729 145.0712 12.08591 204.9939 31.46983 -59.92268      33.71082 
1 1 1 5   14 37 o 173.1754 10.61555 892.5983       107.2970 905.4744       112.3027 757.7465       363.4348 174.3199 11.04156 146.2033 40.82765 28.11656       42.29436 
1 1 1 5   14 38 o 190.6406 9.374808 1079.698       104.4947 1098.353       109.1232 873.6828       362.6378 192.1936 9.712646 155.5266 39.64484 36.66704       40.81726 
1 1 1 5   14 39 o 255.7790 9.557897 1947.172       143.1242 1945.339       154.5094 1958.253       379.8899 255.3389 10.33919 244.5362 26.93447 10.80266       28.85073 
1 1 1 5   14 40 o 152.4735 11.00807 699.2141       97.77376 679.8880       101.3069 961.8738       373.4772 150.1362 11.59523 157.8251 40.23417 -7.688904      41.87168 
1 1 1 5   14 41 f 75.19883 21.69300 185.6864       100.9410 187.5294       104.3526 158.8757       398.0181 75.52444 22.13522 90.31396 39.51492 -14.78952      45.29234 
1 1 1 5   14 42 o 78.20494 21.70104 203.6758       103.0320 160.4068       106.5374 828.9280       404.9870 70.24145 22.69683 137.1091 44.24778 -66.86767      49.72939 
1 1 1 5   14 43 o 203.2003 10.03633 1242.445       119.2351 1232.656       125.2367 1337.298       389.8402 202.0985 10.60327 184.1381 37.37713 17.96045       38.85202 
1 1 1 5   14 44 o 102.3001 19.59487 345.2457       113.2835 366.9211       117.7967 78.52651       413.2161 105.4331 19.77675 82.75082 37.87568 22.68233       42.72805 
1 1 1 5   14 45 o 135.4113 15.16626 577.8077       118.3768 566.5246       122.9009 722.6547       440.3467 133.5537 16.00962 117.4620 45.25692 16.09170       48.00517 
1 1 1 5   14 46 o 121.6528 16.79139 477.0452       116.6092 499.4382       121.8902 235.2931       400.4956 124.2566 17.18589 86.54819 38.65955 37.70836       42.30740 
1 1 1 5   14 47 o 57.95882 23.31008 83.41163       121.3311 115.2641       127.4359 -225.3507      396.7640 62.63488 24.28868 67.71642 32.74950 -5.081543      40.77340 
1 1 1 5   14 48 o 79.28629 25.13000 229.6520       131.0778 233.4269       138.4991 197.2333       405.8772 79.61036 25.89057 82.79291 37.75878 -3.182549      45.78261 
1 1 1 5   15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   15 1  o 1076.599 16.31202 34077.14       1029.940 38197.82       1907.295 32380.93       1223.694 1136.397 28.64069 1048.795 19.89443 87.60168       34.87230 
1 1 1 5   15 2  o 777.3599 12.21448 17745.98       556.8622 17008.97       833.9144 18339.11       748.1002 760.2998 18.70192 789.8124 16.15048 -29.51257      24.71031 
1 1 1 5   15 3  o 339.9522 8.840591 3393.759       176.1088 3320.110       231.1647 3495.626       271.8677 336.0541 11.74709 344.6970 13.47432 -8.642883      17.87600 
1 1 1 5   15 4  o 540.6772 8.870626 8578.918       281.2826 7742.711       406.4733 9347.329       389.6474 513.2122 13.51645 564.2060 11.77561 -50.99377      17.92650 
1 1 1 5   15 5  o 319.1791 7.476298 2989.028       139.9496 3185.283       240.9210 2889.077       171.9327 329.0909 12.50544 313.6088 9.358491 15.48212       15.61946 
1 1 1 5   15 6  o 351.3764 6.169337 3621.859       127.1340 3313.315       239.7197 3742.603       149.9606 335.6699 12.19729 357.1618 7.159154 -21.49191      14.14311 
1 1 1 5   15 7  o 582.3588 9.655105 9954.405       329.7601 10120.94       534.7327 9852.208       418.8961 586.5598 15.55814 579.1877 12.33208 7.372131       19.85286 
1 1 1 5   15 8  o 207.0887 12.33821 1264.020       149.1714 1201.384       197.2351 1347.732       228.0175 201.4135 16.85158 213.2211 18.41451 -11.80769      24.96137 
1 1 1 5   15 9  o 866.6776 15.24180 22080.93       774.7192 22061.88       1084.890 22100.76       1106.671 865.2631 21.37898 865.6681 21.81538 -0.4049683     30.54459 
1 1 1 5   15 10 f 697.1354 13.04407 14278.12       533.3113 14314.27       740.9664 14239.25       768.2029 697.1738 18.13744 695.2224 18.85832 1.951416       26.16492 
1 1 1 5   15 11 o 807.7697 14.65071 19180.88       694.0594 18635.70       930.7338 19863.83       1041.712 795.1179 19.97503 820.5425 21.66586 -25.42462      29.46882 
1 1 1 5   15 12 o 311.7100 12.30883 2858.848       224.5760 2952.143       277.1971 2680.644       383.1054 316.5104 14.97558 300.6985 21.87340 15.81189       26.50875 
1 1 1 5   15 13 o 294.4236 11.59635 2550.262       199.8454 2412.181       245.2823 2822.928       344.6781 286.0421 14.67030 308.9628 19.11565 -22.92068      24.09618 
1 1 1 5   15 14 o 293.1629 10.77103 2527.606       184.8748 2475.959       231.0892 2619.432       308.1349 289.8914 13.63049 297.7183 17.72784 -7.826843      22.36217 
1 1 1 5   15 15 o 465.2603 10.31697 6357.872       281.5132 6222.969       367.0609 6550.559       438.6849 459.8226 13.62626 471.4738 15.88786 -11.65118      20.93082 
1 1 1 5   15 16 o 519.1646 7.601427 7911.512       231.4465 7862.329       264.2487 8073.542       479.6286 517.4686 8.707194 523.3884 15.64293 -5.919800      17.90297 
1 1 1 5   15 17 o 252.0550 13.51632 1874.855       199.0734 1874.855       199.0734 0.000000       0.000000 252.0550 13.51632 ?        ?        0.000000       13.51632 
1 1 1 5   15 18 o 250.3078 6.247169 1838.804       91.70818 1887.354       99.43022 1562.154       237.3485 253.4868 6.694108 229.3517 17.78437 24.13507       19.00250 
1 1 1 5   15 19 o 225.4926 6.277203 1493.609       82.93279 1503.953       87.86002 1409.076       251.1776 226.2502 6.628578 217.2744 19.93353 8.975784       21.00675 
1 1 1 5   15 20 o 311.4824 6.114944 2847.978       111.7060 2908.350       123.3291 2572.214       263.5820 314.7350 6.681437 294.8300 15.29611 19.90494       16.69169 
1 1 1 5   15 21 o 251.8917 6.126896 1862.767       90.51174 1891.586       98.32236 1702.693       231.7256 253.7224 6.613227 239.3751 16.60911 14.34732       17.87728 
1 1 1 5   15 22 o 525.0600 7.577570 8100.446       233.3401 8149.139       271.0349 7960.999       458.6667 526.4555 8.778354 518.7685 15.09159 7.687012       17.45897 
1 1 1 5   15 23 o 342.0831 6.302598 3436.718       126.4451 3553.367       144.1965 3048.519       263.0524 347.7720 7.069842 320.9266 14.00986 26.84537       15.69263 
1 1 1 5   15 24 o 105.4021 9.583882 329.6967       58.59642 307.4867       60.62852 644.4557       228.2399 101.6600 10.31143 143.6131 28.10533 -41.95308      29.93719 
1 1 1 5   15 25 o 333.0830 6.438038 3259.459       125.7640 3253.501       138.6369 3287.144       298.8585 332.7101 7.104975 332.6831 15.35882 0.2697754E-01  16.92259 
1 1 1 5   15 26 o 51.42589 16.39726 77.03503       55.73714 102.1560       57.50280 -313.2822      226.6624 57.86407 16.26936 52.72337 25.30867 5.140701       30.08689 
1 1 1 5   15 27 o 463.9506 7.256855 6328.149       197.4562 6288.969       221.3354 6480.903       437.0314 462.3552 8.162525 466.9591 15.98173 -4.603912      17.94554 
1 1 1 5   15 28 o 291.2656 6.856328 2493.345       117.1201 2555.965       127.7512 2163.386       293.2492 294.7540 7.396021 268.7365 18.72339 26.01743       20.13123 
1 1 1 5   15 29 o 407.0353 7.433700 4871.133       177.4547 4974.622       198.2233 4453.451       398.2278 411.2159 8.219288 386.4686 17.61613 24.74728       19.43925 
1 1 1 5   15 30 o 497.1158 7.835097 7268.648       228.4297 7397.217       259.3200 6823.380       482.5903 501.2900 8.820565 478.5832 17.22183 22.70685       19.34926 
1 1 1 5   15 31 o 285.8126 7.400824 2404.118       123.9500 2474.094       132.7505 1928.223       346.1898 289.8851 7.815490 251.6117 23.74093 38.27336       24.99427 
1 1 1 5   15 32 o 526.2693 8.153019 8153.844       251.6384 8114.336       283.4427 8300.847       546.7511 524.7054 9.210840 526.8351 17.72079 -2.129700      19.97163 
1 1 1 5   15 33 o 103.8629 15.34108 327.9940       90.63863 353.1558       94.28003 21.00657       329.3130 107.8493 15.33755 84.40165 36.44200 23.44769       39.53808 
1 1 1 5   15 34 o 99.85811 16.21122 305.3807       91.68716 323.6141       95.38646 83.89178       332.4523 102.8215 16.36605 88.35638 37.33335 14.46509       40.76305 
1 1 1 5   15 35 o 39.12354 17.73526 -47.05585      87.87383 -46.41144      90.85312 -56.40088      345.9780 39.98017 18.08744 81.04835 36.08496 -41.06818      40.36434 
1 1 1 5   15 36 o 291.8163 8.236501 2514.874       140.8213 2566.614       150.9335 2167.100       391.3102 294.6738 8.743278 262.8510 25.71256 31.82281       27.15844 
1 1 1 5   15 37 o 76.45934 24.19719 182.0191       121.5682 248.4583       129.6820 -299.6309      349.1670 87.82877 24.33683 69.11064 32.67115 18.71813       40.73923 
1 1 1 5   15 38 o 181.5762 9.831951 982.1276       104.3101 984.2734       108.9985 958.7809       359.5263 181.6455 10.27352 162.9800 38.27116 18.66554       39.62608 
1 1 1 5   15 39 o 156.0716 10.99082 731.4517       99.95829 713.0051       104.0126 954.3281       361.5428 153.8727 11.61157 159.5108 38.98273 -5.638107      40.67532 
1 1 1 5   15 40 o 33.72791 16.24771 -134.0068      95.34799 -167.9564      98.64032 349.2503       372.1573 32.57811 15.88647 101.7314 40.85580 -69.15324      43.83579 
1 1 1 5   15 41 o 119.1812 14.75687 440.0154       100.9445 473.2042       104.5733 -13.44493      386.5405 123.6715 14.70547 80.51207 36.76819 43.15948       39.59988 
1 1 1 5   15 42 o 125.6326 14.76611 490.8960       106.7228 493.8290       110.5267 450.4731       410.3259 125.7535 15.30093 105.4310 42.70110 20.32256       45.35970 
1 1 1 5   15 43 o 52.58449 21.47650 50.62680       104.8276 31.65821       108.4982 316.8209       406.4474 50.85472 21.39888 95.31399 40.80938 -44.45927      46.07947 
1 1 1 5   15 44 o 142.0138 13.98785 626.9592       114.9910 626.4838       119.8256 632.4967       408.9500 141.5828 14.64176 114.1750 43.70982 27.40784       46.09696 
1 1 1 5   15 45 o 49.20908 21.37843 11.44945       114.7528 40.52021       119.7486 -315.3120      401.4743 53.13818 22.42698 66.67943 32.41049 -13.54124      39.41331 
1 1 1 5   15 46 o 93.23390 22.25062 302.6953       119.9682 291.3528       125.1601 430.9639       420.8929 90.73342 23.37635 96.75539 41.47947 -6.021965      47.61303 
1 1 1 5   15 47 o 93.10587 22.76990 306.7045       123.2847 363.4944       129.0144 -290.3868      418.3338 102.0251 22.19443 67.03830 32.69631 34.98682       39.51761 
1 1 1 5   15 48 o 80.06648 25.10986 234.9704       131.1933 255.9897       136.6878 -10.82722      467.4228 83.16398 25.55757 77.25484 36.88438 5.909142       44.87368 
1 1 1 5   16 0  o 509.9762 9.326314 7633.089       278.9398 7531.366       385.6014 7744.753       404.0025 506.1920 12.99967 513.2770 13.43245 -7.085052      18.69283 
1 1 1 5   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   16 2  o 682.7714 13.66178 13695.91       547.0577 13091.92       655.4328 15082.95       993.2432 667.0193 16.76809 714.7669 23.72701 -47.74756      29.05408 
1 1 1 5   16 3  o 629.3873 10.17299 11628.25       375.5063 11560.51       601.4439 11671.53       480.7086 626.8142 16.37487 630.3468 13.00325 -3.532593      20.90982 
1 1 1 5   16 4  o 190.2386 8.181789 1063.942       91.07120 1134.424       185.8338 1041.664       104.4773 195.7442 16.33652 188.1486 9.498998 7.595673       18.89743 
1 1 1 5   16 5  o 557.0952 11.49226 9113.345       375.4789 0.000000       0.000000 9113.345       375.4789 ?        ?        557.0952 11.49226 0.000000       11.49226 
1 1 1 5   16 6  o 113.9392 8.296260 382.9790       55.05797 293.5729       188.1427 391.3526       57.57860 99.18571 29.88540 115.1604 8.587067 -15.97470      31.09461 
1 1 1 5   16 7  o 237.4463 8.397596 1656.626       116.7580 1426.224       217.7980 1749.544       138.3119 219.5380 17.04940 243.9442 9.686853 -24.40620      19.60911 
1 1 1 5   16 8  o 438.1964 10.72922 5637.834       275.7321 5701.961       373.9065 5561.390       408.2399 440.2123 14.50252 434.5795 16.04508 5.632782       21.62794 
1 1 1 5   16 9  o 790.4527 14.34070 18365.18       664.8090 18403.95       927.3184 18324.19       953.5959 790.1536 20.02705 788.3100 20.64385 1.843628       28.76197 
1 1 1 5   16 10 o 313.8622 12.06611 2897.950       221.6904 2688.420       268.7487 3344.139       392.1777 301.9897 15.22323 336.3160 19.97309 -34.32635      25.11316 
1 1 1 5   16 11 o 232.1957 14.02724 1590.621       190.1283 1595.342       235.0298 1581.681       323.4176 232.1653 17.38768 230.1422 24.32955 2.023071       29.90415 
1 1 1 5   16 12 o 620.0226 12.15732 11294.92       442.0750 11146.89       589.8037 11484.70       667.8159 615.2450 16.36042 624.1823 18.26258 -8.937256      24.51908 
1 1 1 5   16 13 o 488.5969 10.68630 7011.677       306.2166 6979.794       404.0983 7054.677       469.2880 486.9841 14.16392 489.2910 16.37699 -2.306976      21.65231 
1 1 1 5   16 14 o 430.2845 9.992393 5437.624       252.1597 5108.965       314.6140 6027.995       421.6651 416.6651 12.89030 452.2223 15.92368 -35.55719      20.48716 
1 1 1 5   16 15 o 545.7849 11.01304 8753.575       352.5164 8656.844       471.8116 8875.813       530.3789 542.0893 14.85446 548.6141 16.50300 -6.524780      22.20369 
1 1 1 5   16 16 o 419.3935 13.07935 5180.012       321.3121 5180.012       321.3121 0.000000       0.000000 419.3935 13.07935 ?        ?        0.000000       13.07935 
1 1 1 5   16 17 o 282.3624 6.197186 2339.900       102.6247 2323.126       110.7164 2442.236       273.4683 281.3282 6.710395 287.3080 16.29645 -5.979858      17.62395 
1 1 1 5   16 18 o 389.9735 6.558552 4464.226       150.0008 4561.451       170.5977 4132.941       314.9091 394.1423 7.380227 374.2080 14.37574 19.93430       16.15950 
1 1 1 5   16 19 o 287.3341 7.035436 2424.301       118.5574 2561.503       133.5598 1914.434       257.4678 295.2116 7.720843 253.8750 17.39745 41.33653       19.03372 
1 1 1 5   16 20 o 67.12138 14.66984 138.1229       56.13172 145.3535       58.32616 47.41939       206.5793 68.86232 14.87736 72.11463 29.87225 -3.252312      33.37196 
1 1 1 5   16 21 o 376.8057 6.440611 4169.432       142.3295 4295.980       162.7243 3757.380       293.6292 382.4077 7.255634 356.4699 14.07279 25.93784       15.83312 
1 1 1 5   16 22 o 299.1241 6.281180 2627.663       110.1903 2672.144       121.6756 2424.858       259.8098 301.6006 6.878931 285.8491 15.55637 15.75150       17.00942 
1 1 1 5   16 23 o 254.0109 6.175963 1894.984       92.00419 1889.472       100.2688 1924.348       231.4215 253.5133 6.749957 254.4427 15.58301 -0.9293671     16.98211 
1 1 1 5   16 24 o 160.3271 7.611578 757.4183       71.36583 774.4544       74.88604 588.8871       235.5352 162.0941 7.901205 136.4501 30.22923 25.64400       31.24476 
1 1 1 5   16 25 f 104.5378 10.44359 325.2616       63.17249 348.1789       65.51617 22.02633       238.3181 108.1910 10.45552 74.05372 31.46318 34.13727       33.15493 
1 1 1 5   16 26 o 156.9111 8.360430 726.4706       76.65886 745.0912       80.77226 557.4942       243.3206 158.8745 8.701998 132.1726 31.78173 26.70198       32.95153 
1 1 1 5   16 27 o 312.7586 6.770869 2874.775       124.1950 2870.851       134.1866 2898.220       327.9933 312.4864 7.321966 311.4366 18.03460 1.049835       19.46428 
1 1 1 5   16 28 o 270.9366 7.412559 2159.831       117.6733 2151.394       126.9361 2211.393       313.8023 270.3295 8.015324 271.3794 19.85383 -1.049866      21.41075 
1 1 1 5   16 29 o 221.5116 10.21568 1449.199       132.3559 1412.989       143.2121 1661.240       346.5526 218.5606 11.21013 232.9822 25.79427 -14.42159      28.12492 
1 1 1 5   16 30 o 322.6709 7.295535 3061.549       138.0599 3123.319       149.2903 2696.709       362.8236 325.8438 7.812168 299.2306 20.80425 26.61322       22.22266 
1 1 1 5   16 31 o 121.6804 12.89190 443.0862       90.60224 484.7883       95.45144 63.65950       287.9169 127.3234 12.96333 83.10027 34.90650 44.22317       37.23589 
1 1 1 5   16 32 o 161.4425 10.37609 772.7337       97.72297 770.3648       102.1995 798.0111       333.8434 161.1064 10.88029 155.3482 37.14568 5.758179       38.70636 
1 1 1 5   16 33 o 176.0850 10.01324 918.7462       102.9802 928.3797       108.1686 825.4936       336.5427 176.9232 10.47159 157.3155 37.08610 19.60770       38.53613 
1 1 1 5   16 34 o 138.3606 12.11333 572.0847       97.30339 610.6265       101.4035 124.1855       345.6821 142.9573 12.21155 92.10911 38.43834 50.84817       40.33148 
1 1 1 5   16 35 o 329.0113 7.712316 3190.732       148.8148 3195.831       158.8642 3154.215       425.1599 329.0531 8.238559 320.0927 22.79701 8.960419       24.24000 
1 1 1 5   16 36 o 85.63618 19.97353 232.0660       98.46482 223.9785       101.7987 349.5106       387.9266 83.98813 20.78143 109.5298 42.40362 -25.54164      47.22219 
1 1 1 5   16 37 o 113.3592 14.55399 392.2812       94.52895 413.9401       97.79554 84.22110       368.8239 116.4651 14.64041 88.79884 38.45351 27.66624       41.14625 
1 1 1 5   16 38 o 231.6906 8.169417 1591.527       110.8332 1580.075       116.0438 1710.520       374.0681 230.7211 8.590994 226.9458 28.74873 3.775314       30.00491 
1 1 1 5   16 39 o 43.67048 19.09500 -9.503235      92.81485 -13.94973      96.25108 49.45665       350.4896 43.97453 19.33013 82.32558 36.50539 -38.35106      41.30735 
1 1 1 5   16 40 o 269.9624 8.018699 2164.799       126.8166 2125.780       133.4268 2529.579       407.9648 267.2950 8.522303 276.6062 25.43289 -9.311127      26.82278 
1 1 1 5   16 41 o 43.75792 19.64669 -32.04677      104.8828 -27.19425      108.8089 -95.67181      393.9988 45.06375 20.13844 76.98177 35.84773 -31.91802      41.11710 
1 1 1 5   16 42 o 108.1914 18.09682 377.1548       110.7751 402.6804       115.6623 94.11166       385.1504 111.7686 18.27604 83.18938 37.47450 28.57922       41.69355 
1 1 1 5   16 43 o 43.08923 19.44544 -33.57872      104.2417 -12.63104      108.1650 -306.7233      390.5847 45.90483 20.32145 67.36344 32.55803 -21.45861      38.37951 
1 1 1 5   16 44 o 188.3923 11.63791 1083.224       127.9567 1055.136       134.0542 1371.078       429.1506 185.4385 12.39743 175.3492 42.23580 10.08931       44.01771 
1 1 1 5   16 45 o 107.1062 19.72334 383.2960       119.3289 426.6526       125.0957 -54.70192      397.6039 113.2517 19.54001 74.23526 35.02408 39.01645       40.10608 
1 1 1 5   16 46 o 125.4552 17.14623 510.3539       122.8582 518.6985       129.2323 431.9689       396.0830 125.8883 18.01704 96.38367 40.73868 29.50463       44.54496 
1 1 1 5   16 47 o 47.88123 21.44829 -14.44946      124.2102 46.87265       130.0642 -650.0421      418.7344 54.65475 23.23320 58.82412 29.39312 -4.169369      37.46648 
1 1 1 5   16 48 o 55.41871 23.31366 57.77632       128.7344 38.10935       133.3186 329.0958       495.1792 53.98824 23.24771 88.94886 40.98707 -34.96062      47.12107 
1 1 1 5   17 0  o 567.4074 10.28666 9451.523       342.3102 9022.356       451.5468 10031.43       524.8889 553.9427 13.91013 583.9514 15.33968 -30.00867      20.70743 
1 1 1 5   17 1  o 345.9546 6.498333 3511.198       131.8474 3551.521       164.7714 3439.420       219.8354 347.8926 8.075811 342.0819 10.97183 5.810699       13.62350 
1 1 1 5   17 2  o 305.6826 10.58482 2746.652       189.4736 0.000000       0.000000 2746.652       189.4736 ?        ?        305.6826 10.58482 0.000000       10.58482 
1 1 1 5   17 3  o 433.7453 14.10097 5534.537       358.2257 5534.537       358.2257 0.000000       0.000000 433.7453 14.10097 ?        ?        0.000000       14.10097 
1 1 1 5   17 4  o 742.8328 10.06455 16198.88       438.4660 16438.75       840.0898 16109.07       514.0342 746.9774 19.19233 740.6135 11.83450 6.363892       22.54774 
1 1 1 5   17 5  f 455.7205 8.892494 6095.361       237.6691 6029.275       383.4534 6136.587       302.8595 452.6870 14.46178 457.1358 11.29654 -4.448792      18.35088 
1 1 1 5   17 6  o 631.2308 10.29408 11698.20       381.0888 10697.77       560.0891 12560.60       520.0207 602.9332 15.85311 653.7957 13.56213 -50.86255      20.86271 
1 1 1 5   17 7  o 491.4283 9.354219 7088.985       269.5990 7027.029       428.5655 7129.560       346.8196 488.6597 14.97176 492.6702 12.00319 -4.010498      19.18932 
1 1 1 5   17 8  o 680.2794 11.13928 13590.77       444.4213 12960.22       663.6660 14103.41       598.4017 663.4259 17.07134 692.6031 14.73187 -29.17725      22.54903 
1 1 1 5   17 9  f 129.9428 23.33490 513.4286       171.2962 384.7834       206.9883 793.0038       305.1393 112.1029 30.62262 160.4232 33.51470 -48.32025      45.39802 
1 1 1 5   17 10 o 38.77673 19.18155 -369.4244      161.1920 -346.3966      191.4618 -425.4750      298.7076 45.56464 22.20012 60.71072 29.11942 -15.14608      36.61675 
1 1 1 5   17 11 o 682.2501 12.75762 13679.77       510.4624 13505.94       692.6735 13886.39       755.1749 677.0195 17.45981 686.2361 18.78158 -9.216553      25.64357 
1 1 1 5   17 12 o 252.3560 12.23736 1875.976       180.5740 1868.903       218.8346 1891.069       319.6589 251.6028 14.89697 252.1311 21.83267 -0.5282745     26.43076 
1 1 1 5   17 13 o 397.0792 10.39559 4634.913       241.8817 4615.324       315.3549 4662.907       376.9800 395.8929 13.60244 397.5832 16.20132 -1.690369      21.15442 
1 1 1 5   17 14 o 710.3663 12.98823 14842.99       541.1066 14598.53       735.4473 15131.51       798.9742 703.3120 17.84448 715.7242 19.05123 -12.41223      26.10316 
1 1 1 5   17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   17 16 o 186.0038 12.49995 1022.597       135.5663 1039.842       166.0117 988.0802       234.8712 187.2156 15.25183 181.1868 22.59259 6.028854       27.25883 
1 1 1 5   17 17 o 196.4877 12.24146 1140.674       140.3642 1000.153       169.4983 1447.354       250.4012 183.4310 15.91314 220.2775 19.58680 -36.84651      25.23630 
1 1 1 5   17 18 f 215.0930 6.511087 1359.504       82.04082 1364.575       87.60100 1323.321       234.0067 215.4635 6.941478 210.5191 19.16319 4.944382       20.38165 
1 1 1 5   17 19 o 377.6150 6.466959 4186.813       143.2187 4282.973       163.9555 3877.167       294.2135 381.8569 7.321075 362.2757 13.87319 19.58121       15.68641 
1 1 1 5   17 20 o 715.5092 9.514675 15059.25       399.2635 15719.18       489.4528 13746.75       690.2583 730.5172 11.42431 680.9697 17.29757 49.54749       20.72970 
1 1 1 5   17 21 o 458.5874 6.983397 6178.159       187.8189 6169.112       213.5763 6209.025       394.5077 458.1277 7.949063 458.0667 14.70413 0.6106567E-01  16.71523 
1 1 1 5   17 22 o 87.06300 12.77253 228.4071       63.27872 251.6139       66.18686 -18.40211      215.8463 91.48047 12.67678 67.82735 29.39438 23.65312       32.01141 
1 1 1 5   17 23 o 215.7941 6.740955 1369.620       85.20762 1439.924       92.36570 968.0485       220.7507 221.2300 7.128259 178.6561 21.50013 42.57391       22.65100 
1 1 1 5   17 24 o 66.50385 16.10934 136.4608       62.15964 158.8878       64.21538 -197.0861      247.6466 71.83333 15.68352 61.63444 28.60534 10.19889       32.62267 
1 1 1 5   17 25 o 136.8782 9.064880 553.9805       72.35914 595.7497       75.31556 53.05830       260.8205 141.9625 9.093904 79.41134 33.28148 62.55119       34.50154 
1 1 1 5   17 26 o 477.3515 7.385705 6699.609       206.7668 6655.122       232.7647 6866.053       450.2292 475.5897 8.345150 480.6448 15.99426 -5.055145      18.04045 
1 1 1 5   17 27 o 289.5898 8.443303 2469.672       143.2459 2541.403       158.9421 2159.355       330.5869 293.6460 9.240707 267.6906 21.23104 25.95541       23.15487 
1 1 1 5   17 28 o 442.8434 7.747101 5767.361       201.2056 5874.960       227.9779 5388.257       427.9252 446.7868 8.700455 425.3058 17.19143 21.48099       19.26767 
1 1 1 5   17 29 o 160.1489 10.16529 759.0214       94.98334 740.8530       99.45453 947.5626       320.3832 158.1208 10.78934 172.6349 32.84366 -14.51404      34.57045 
1 1 1 5   17 30 o 338.5294 7.430479 3370.958       147.5243 3420.191       160.5430 3103.802       373.9799 340.9043 8.029867 321.2032 19.95112 19.70111       21.50641 
1 1 1 5   17 31 o 317.9830 7.292509 2974.760       135.9976 3025.970       148.2898 2703.723       341.1529 320.6194 7.886258 299.5526 19.52534 21.06677       21.05783 
1 1 1 5   17 32 o 75.99182 20.09500 180.3520       90.91364 182.6943       94.56346 151.7536       330.4237 76.48882 20.61629 93.23261 38.10988 -16.74379      43.32891 
1 1 1 5   17 33 o 274.6804 8.044342 2225.381       129.4496 2235.235       138.2094 2154.955       369.4879 275.1798 8.574338 264.2820 24.10368 10.89789       25.58333 
1 1 1 5   17 34 o 59.03534 21.43714 89.71198       95.82958 90.15133       99.52460 84.12256       354.9852 59.62626 21.81676 90.11776 38.34811 -30.49150      44.11971 
1 1 1 5   17 35 o 173.0393 11.33810 892.3608       114.4292 868.5737       119.2878 1166.653       405.0718 170.5423 12.00317 184.3578 38.69953 -13.81554      40.51826 
1 1 1 5   17 36 o 48.02673 20.02845 20.41695       93.75728 42.76060       96.80554 -317.7047      376.5821 51.66092 20.80584 71.55701 33.85802 -19.89610      39.73976 
1 1 1 5   17 37 o 153.5005 11.56607 707.2104       103.3569 673.5337       107.4186 1127.436       379.4511 149.5368 12.35870 177.6776 37.58939 -28.14079      39.56893 
1 1 1 5   17 38 o 173.5515 10.41164 901.6379       105.4864 908.3564       109.9315 823.5635       374.7476 174.0569 10.82267 145.1926 41.77144 28.86436       43.15070 
1 1 1 5   17 39 o 40.43688 18.20245 -34.47604      90.68195 -26.63540      93.45961 -160.5315      374.7391 41.90556 18.69985 74.15665 34.67342 -32.25110      39.39455 
1 1 1 5   17 40 o 120.7828 15.17524 453.0616       105.1288 435.9015       108.9974 682.0123       398.1320 118.0057 16.17451 126.2849 43.91181 -8.279205      46.79596 
1 1 1 5   17 41 o 213.8485 9.837853 1372.460       123.0529 1362.689       129.1757 1468.258       404.4857 212.8086 10.38134 195.6539 36.59537 17.15471       38.03937 
1 1 1 5   17 42 o 64.96011 22.68271 132.7562       106.2919 115.7124       110.5201 342.8062       387.9891 62.55066 22.97340 96.51260 40.52961 -33.96194      46.58783 
1 1 1 5   17 43 o 139.0396 14.25518 602.1627       114.5975 583.3214       119.6080 813.0173       400.1262 136.2776 15.22512 129.8408 44.06100 6.436829       46.61733 
1 1 1 5   17 44 o 164.1884 12.27689 828.4605       117.3616 833.1457       123.3238 783.4903       382.0720 164.2640 12.90484 126.2507 43.05207 38.01334       44.94458 
1 1 1 5   17 45 o 63.58797 23.59214 126.0744       117.0632 119.2084       122.1387 203.5741       410.3468 62.97940 23.94141 85.06750 38.46708 -22.08810      45.30902 
1 1 1 5   17 46 o 63.24418 23.83897 124.3838       120.4935 75.44204       126.4613 606.5228       396.9211 57.48287 23.54591 106.8709 42.43479 -49.38806      48.52959 
1 1 1 5   17 47 o 61.89157 24.00768 113.8432       124.5328 110.8093       128.5893 159.6648       499.7408 61.82768 24.27595 83.83544 39.46481 -22.00776      46.33350 
1 1 1 5   18 0  o 699.3459 12.56845 14367.86       515.4946 14367.86       515.4946 0.000000       0.000000 699.3459 12.56845 ?        ?        0.000000       12.56845 
1 1 1 5   18 1  o 925.4926 16.00656 25191.04       868.8033 25191.04       868.8033 0.000000       0.000000 925.4926 16.00656 ?        ?        0.000000       16.00656 
1 1 1 5   18 2  o 894.5233 12.62273 23507.43       662.2095 23806.42       826.4376 22971.13       1106.843 899.7466 15.66171 882.7413 21.37971 17.00537       26.50248 
1 1 1 5   18 3  o 438.8383 7.408460 5650.785       190.6703 5403.181       224.0329 6301.403       363.1582 429.0548 8.903248 462.8839 13.39153 -33.82901      16.08107 
1 1 1 5   18 4  o 317.1901 8.195600 2954.581       152.3305 2827.334       281.8885 3007.067       181.0414 309.6776 15.57086 319.9065 9.660556 -10.22888      18.32425 
1 1 1 5   18 5  o 431.3392 7.437685 5459.463       188.1513 5272.593       351.1986 5534.689       222.8270 423.2845 14.16714 434.2448 8.749491 -10.96033      16.65117 
1 1 1 5   18 6  o 489.0577 10.65119 7023.497       305.4984 0.000000       0.000000 7023.497       305.4984 ?        ?        489.0577 10.65119 0.000000       10.65119 
1 1 1 5   18 7  o 504.3177 9.289749 7466.381       274.7633 7684.355       444.5868 7331.676       349.4993 510.9726 14.85147 499.5683 11.92891 11.40436       19.04902 
1 1 1 5   18 8  o 487.2841 9.050688 6970.399       258.6511 6936.666       403.4515 6993.938       337.0219 485.5140 14.18420 487.9224 11.77760 -2.408325      18.43647 
1 1 1 5   18 9  o 628.9590 12.05123 11623.50       444.5333 11312.66       591.0309 12028.39       674.5447 619.7695 16.27442 638.7777 18.02374 -19.00824      24.28398 
1 1 1 5   18 10 o 1065.147 18.36648 33434.81       1147.323 32419.78       1542.003 34693.61       1717.224 1046.596 25.12209 1081.535 27.09430 -34.93884      36.94889 
1 1 1 5   18 11 o 180.8246 15.87409 970.0027       166.6371 1133.409       203.0579 633.0105       291.6052 195.2890 17.92922 142.7447 35.08528 52.54428       39.40094 
1 1 1 5   18 12 o 679.8087 12.78006 13590.56       509.5303 12823.40       652.1233 14792.98       816.4174 659.4298 16.87593 707.5872 19.69266 -48.15741      25.93448 
1 1 1 5   18 13 o 693.5127 12.87714 14148.48       523.7505 13688.04       693.5216 14759.67       799.0219 681.0304 17.37793 706.6807 19.29708 -25.65027      25.96863 
1 1 1 5   18 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 15 o 194.8145 12.37323 1121.292       140.6387 904.9813       164.2035 1716.888       272.4699 174.4055 16.24021 240.1482 19.51391 -65.74268      25.38774 
1 1 1 5   18 16 o 203.9675 11.80898 1228.351       140.6575 1135.794       171.8236 1416.381       244.9021 195.6674 15.08966 217.9008 19.36537 -22.23332      24.55026 
1 1 1 5   18 17 o 342.8835 9.337727 3458.658       187.6004 3469.452       240.3511 3441.832       300.1018 343.0667 11.96416 341.1791 15.03500 1.887604       19.21438 
1 1 1 5   18 18 o 160.7603 14.34391 768.6942       133.8183 866.3698       162.6362 563.9570       235.4630 170.3833 16.48122 134.1638 30.60448 36.21953       34.76011 
1 1 1 5   18 19 o 354.8054 6.499687 3696.903       135.2487 3905.773       156.3295 3075.318       269.6826 364.6199 7.310552 322.3901 14.29890 42.22986       16.05935 
1 1 1 5   18 20 o 91.21162 13.20828 250.5512       68.60162 256.8187       72.01067 189.0180       225.6332 92.27526 13.72354 88.09416 32.74047 4.181099       35.50034 
1 1 1 5   18 21 o 150.4315 8.419196 667.5666       73.98159 698.4674       78.32705 412.0278       225.2449 153.8522 8.716413 114.4642 32.20564 39.38797       33.36434 
1 1 1 5   18 22 o 59.32504 17.61119 106.0866       65.70631 135.7504       68.70185 -211.9960      224.9702 66.39256 17.42692 57.18296 26.77864 9.209595       31.94985 
1 1 1 5   18 23 o 229.0131 6.765411 1542.580       90.76714 1540.333       97.53276 1557.115       248.0276 228.7920 7.277999 227.8412 18.72682 0.9507751      20.09137 
1 1 1 5   18 24 o 164.2894 8.398975 796.2480       80.65714 802.2330       84.44356 733.9650       272.4085 164.8636 8.765060 152.0366 31.58396 12.82700       32.77762 
1 1 1 5   18 25 o 231.0457 7.075860 1570.664       95.76691 1578.892       101.2237 1500.455       295.6692 231.6071 7.461860 222.2488 23.01657 9.358276       24.19591 
1 1 1 5   18 26 o 30.32100 14.50940 -101.0025      73.21674 -54.49792      75.81634 -744.4705      282.0190 35.15489 16.14014 48.14913 24.06861 -12.99424      28.97934 
1 1 1 5   18 27 o 255.6095 8.036891 1923.739       120.3304 1904.346       127.9048 2073.081       354.9424 254.2427 8.590370 261.5095 23.38971 -7.266724      24.91732 
1 1 1 5   18 28 o 312.7441 7.420836 2876.013       136.1108 2879.630       147.8332 2855.881       348.7706 312.7601 8.066268 308.6274 19.36643 4.132629       20.97912 
1 1 1 5   18 29 o 180.3876 9.384252 961.2936       98.93753 991.3762       104.1403 682.5908       316.9804 183.1456 9.730456 144.5716 37.17786 38.57397       38.43014 
1 1 1 5   18 30 o 98.66753 16.40824 297.4267       91.61491 318.0218       95.35648 50.32980       330.2948 102.0843 16.48903 86.91635 36.98830 15.16798       40.49719 
1 1 1 5   18 31 f 279.6718 9.124121 2308.990       149.4543 2361.850       166.5028 2089.799       339.0572 282.6561 10.06018 261.7178 22.30193 20.93826       24.46596 
1 1 1 5   18 32 o 92.75526 18.78957 267.6812       98.70560 324.1542       103.0586 -358.7777      343.2497 102.5628 17.77732 67.44963 32.03419 35.11314       36.63635 
1 1 1 5   18 33 o 508.2684 8.120811 7615.919       242.0712 7627.228       271.4295 7571.963       535.1353 508.2983 9.105165 501.1358 18.23822 7.162476       20.38472 
1 1 1 5   18 34 o 125.1273 15.19113 474.9999       109.1980 484.1417       113.7683 368.0250       389.1758 126.1984 15.71076 112.0912 42.70642 14.10724       45.50458 
1 1 1 5   18 35 o 149.0869 12.37890 666.4070       107.2606 646.7539       111.6099 903.9302       388.0073 146.6606 13.11418 159.2235 41.22905 -12.56288      43.26449 
1 1 1 5   18 36 o 145.5983 12.41688 637.9034       105.0169 623.0128       109.2078 820.8229       382.7601 143.6694 13.10513 148.6737 42.03529 -5.004333      44.03079 
1 1 1 5   18 37 o 186.3951 9.766670 1036.131       106.3932 1051.057       111.6811 889.6141       349.9026 187.5987 10.18903 155.0081 38.62965 32.59058       39.95080 
1 1 1 5   18 38 o 81.64143 20.81915 217.5901       99.97861 246.3223       104.2368 -112.6834      353.4056 86.90768 20.74030 74.54112 34.44710 12.36656       40.20899 
1 1 1 5   18 39 o 66.61195 21.80591 140.1057       98.16586 139.6016       101.0065 148.6909       416.8588 66.66985 22.13267 90.83283 40.06624 -24.16298      45.77291 
1 1 1 5   18 40 o 129.5019 14.16598 517.6564       105.8372 483.8982       109.2660 1030.371       425.8271 124.6698 15.26214 153.7780 44.61399 -29.10820      47.15232 
1 1 1 5   18 41 o 82.17412 22.20242 228.6700       109.5138 224.6962       113.5423 281.7077       414.8097 81.26836 22.86563 94.17818 40.78167 -12.90983      46.75448 
1 1 1 5   18 42 o 105.2729 26.18124 393.7435       160.9678 383.1497       174.9545 452.1653       410.8540 102.4460 28.22129 102.7312 42.29920 -0.2851639     50.84943 
1 1 1 5   18 43 o 65.24339 23.08721 136.3279       110.3741 160.9327       114.5747 -180.8887      411.3931 69.41930 23.57738 71.92278 34.41055 -2.503471      41.71305 
1 1 1 5   18 44 o 76.66460 23.87861 206.6306       118.8552 199.2444       123.9678 290.6773       418.1761 75.34222 24.49416 89.94199 39.87920 -14.59978      46.80080 
1 1 1 5   18 45 o 100.9714 20.48312 346.2688       117.1430 337.9917       123.3030 422.9545       375.3120 98.81354 21.85700 96.11732 40.07689 2.696213       45.64959 
1 1 1 5   18 46 o 80.08109 24.87782 233.8143       129.1027 305.0248       133.9322 -700.5161      485.1358 91.54804 24.47389 62.63659 31.34879 28.91145       39.77081 
1 1 1 5   18 47 o 56.03127 23.73924 55.73698       135.0265 113.2231       139.1612 -868.7583      558.0703 62.84418 25.06952 64.03571 32.26064 -1.191532      40.85621 
1 1 1 5   19 0  f 1040.829 25.46757 32028.46       1554.596 32028.46       1554.596 0.000000       0.000000 1040.829 25.46757 ?        ?        0.000000       25.46757 
1 1 1 5   19 1  o 608.2985 10.98468 10867.25       391.8816 11214.48       568.0362 10551.90       541.3359 617.2491 15.70427 598.7647 15.42844 18.48444       22.01502 
1 1 1 5   19 2  o 58.95861 16.84501 104.7045       61.14634 100.9399       67.55931 121.7575       143.7896 58.56080 17.96260 71.59174 26.21880 -13.03094      31.78176 
1 1 1 5   19 3  o 175.6548 6.772103 906.6558       69.63373 841.3871       82.13200 1073.504       131.3168 169.1109 8.306557 190.7995 11.79289 -21.68861      14.42467 
1 1 1 5   19 4  o 277.8548 6.459096 2265.141       105.2544 2134.347       121.3590 2662.177       211.4433 269.5736 7.684001 300.7820 12.01063 -31.20840      14.25830 
1 1 1 5   19 5  o 713.7065 10.61967 14959.56       444.5096 14790.96       752.4368 15049.94       550.9216 708.4182 18.12536 715.5730 13.12760 -7.154785      22.37996 
1 1 1 5   19 6  o 354.3997 7.561369 3685.957       157.1608 3466.655       267.6764 3801.325       194.1473 343.1535 13.32593 359.7171 9.210371 -16.56363      16.19911 
1 1 1 5   19 7  o 823.8997 10.85466 19939.11       524.4948 19168.81       933.1501 20294.85       634.1445 806.2549 19.73461 830.9091 13.01320 -24.65417      23.63892 
1 1 1 5   19 8  o 494.7126 9.099202 7185.781       264.0018 7028.962       403.2165 7303.450       349.2758 488.6542 14.08444 498.5195 11.94637 -9.865295      18.46854 
1 1 1 5   19 9  o 418.3839 8.689428 5139.311       213.2145 4947.573       318.6638 5294.724       286.8940 409.9566 13.27141 424.3078 11.53967 -14.35120      17.58676 
1 1 1 5   19 10 o 563.9849 11.41804 9348.657       377.6673 9211.670       502.5650 9526.381       572.4345 559.1159 15.34089 568.2418 17.19658 -9.125916      23.04485 
1 1 1 5   19 11 o 421.5826 10.61141 5226.197       262.1566 5229.221       336.7678 5221.546       417.6413 421.3251 13.64696 420.4935 16.97019 0.8316040      21.77675 
1 1 1 5   19 12 o 604.2869 11.79182 10738.46       417.9021 10333.59       545.3394 11314.48       650.4677 591.9269 15.72291 618.8736 17.94039 -26.94672      23.85513 
1 1 1 5   19 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 14 o 320.0128 9.814505 3012.823       183.9808 2828.577       223.2209 3403.128       324.8910 309.7694 12.31152 339.1764 16.38127 -29.40701      20.49194 
1 1 1 5   19 15 o 167.7300 14.64577 835.9045       142.6263 817.7463       168.0996 882.5714       269.4851 165.4006 17.59914 169.6045 28.07362 -4.203903      33.13394 
1 1 1 5   19 16 o 307.5528 9.519609 2783.745       171.5008 2850.011       219.9088 2680.879       273.9898 310.8551 12.08544 300.8949 15.57939 9.960144       19.71738 
1 1 1 5   19 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 18 o 71.17314 24.43422 139.3819       123.1172 168.5258       144.8649 63.58215       233.6269 77.72211 26.50946 77.21642 31.85573 0.5056915      41.44321 
1 1 1 5   19 19 o 251.0441 10.09706 1858.229       148.3571 1874.809       185.9005 1829.148       246.1963 251.7773 12.62998 247.8199 17.04305 3.957352       21.21277 
1 1 1 5   19 20 o 333.8776 6.534514 3274.578       127.9532 3320.718       141.8324 3072.838       296.5753 336.1592 7.194157 321.7015 15.76726 14.45770       17.33097 
1 1 1 5   19 21 o 272.6369 6.488779 2183.763       103.7524 2162.948       112.0060 2309.589       275.3807 271.1978 7.048114 278.3699 16.94820 -7.172119      18.35531 
1 1 1 5   19 22 o 308.2464 6.464787 2791.696       116.8699 2809.888       128.6193 2705.549       279.8889 309.1874 7.093062 301.5670 15.88126 7.620361       17.39327 
1 1 1 5   19 23 o 371.2336 6.748593 4050.220       146.9302 4046.503       161.0847 4068.624       358.4529 370.9796 7.403786 369.6641 16.57603 1.315430       18.15436 
1 1 1 5   19 24 o 36.71188 16.52949 -36.70786      74.82813 -21.63109      77.73419 -227.1162      276.2492 39.27260 17.31329 64.52596 30.03718 -25.25336      34.66961 
1 1 1 5   19 25 o 183.2200 8.921827 990.5090       95.58059 1006.026       100.6684 848.5314       304.5044 184.6002 9.328689 163.2854 32.93539 21.31474       34.23104 
1 1 1 5   19 26 o 451.3853 7.638797 5991.497       202.2194 6087.669       228.5628 5644.947       433.8743 454.8288 8.568545 435.4025 17.02394 19.42627       19.05872 
1 1 1 5   19 27 o 77.04551 20.90413 183.7224       96.83852 199.6216       101.0857 6.357577       337.6263 80.18717 21.18234 85.57719 36.92406 -5.390015      42.56851 
1 1 1 5   19 28 o 357.1004 7.384346 3750.223       154.6511 3824.732       170.1334 3395.829       371.0450 360.5329 8.046262 336.6343 18.86946 23.89862       20.51338 
1 1 1 5   19 29 o 83.91743 18.88039 218.8512       90.66644 245.0371       94.20969 -109.7569      333.7342 88.91725 18.66171 77.99246 35.02943 10.92479       39.69030 
1 1 1 5   19 30 o 200.3529 9.329111 1186.333       109.3182 1164.355       114.6737 1405.279       361.9439 198.3890 9.887038 211.0058 30.10026 -12.61682      31.68247 
1 1 1 5   19 31 o 33.58815 16.10818 -127.6977      91.33893 -125.5713      95.52833 -150.3578      311.8499 34.86186 16.65264 72.43438 33.05868 -37.57252      37.01603 
1 1 1 5   19 32 o 393.4952 7.624871 4561.427       175.9635 4603.936       192.9962 4351.986       428.3903 395.1493 8.327929 379.2084 19.32616 15.94089       21.04412 
1 1 1 5   19 33 o 222.5851 8.895423 1465.006       115.8878 1471.137       121.8148 1406.563       376.1003 222.9571 9.336634 208.3908 31.77722 14.56628       33.12046 
1 1 1 5   19 34 o 141.0705 13.50206 599.1229       110.3469 589.6460       114.8575 712.7236       397.6635 139.7462 14.21171 141.0409 43.63651 -1.294617      45.89245 
1 1 1 5   19 35 o 38.20910 17.68620 -71.73172      93.72513 -63.38285      96.82166 -196.0295      373.5857 39.72568 18.23895 75.71893 35.13929 -35.99325      39.59077 
1 1 1 5   19 36 o 46.36174 19.90453 3.122098       97.18282 12.44264       101.2851 -104.9969      344.9657 48.34162 20.52410 75.52579 34.58297 -27.18417      40.21468 
1 1 1 5   19 37 o 150.4129 11.73045 682.2125       102.6608 649.1760       106.9869 1066.114       364.7070 146.4016 12.58239 169.8985 37.59779 -23.49692      39.64732 
1 1 1 5   19 38 o 102.6022 17.32127 332.9991       100.5217 328.4722       104.3923 390.6707       372.6060 101.5209 18.20192 104.4918 41.23303 -2.970940      45.07186 
1 1 1 5   19 39 o 62.36551 22.47554 113.3794       105.0849 141.2684       109.3681 -221.9059      379.2114 67.27936 23.03161 71.36616 33.82909 -4.086800      40.92508 
1 1 1 5   19 40 o 44.95525 19.80039 -10.98076      101.4544 -16.10020      105.1976 57.14002       383.7377 45.22516 20.02965 81.96976 37.11956 -36.74459      42.17878 
1 1 1 5   19 41 o 76.76069 22.05155 199.2798       104.5104 193.3826       107.6925 294.6675       433.1234 75.59573 22.57217 94.69530 41.33068 -19.09958      47.09276 
1 1 1 5   19 42 o 54.72918 22.19461 62.01012       111.0157 118.0497       115.0942 -686.9368      420.7571 62.95297 23.38603 60.27730 30.01530 2.675674       38.05029 
1 1 1 5   19 43 o 68.59441 27.35561 134.5678       165.6519 241.7067       180.9714 -419.0840      411.3909 81.68908 29.48750 64.72919 31.74943 16.95988       43.33058 
1 1 1 5   19 44 o 52.01357 21.96529 39.15012       114.9793 31.53870       119.8807 126.5641       406.2626 51.93613 22.19822 81.44633 37.38167 -29.51020      43.47586 
1 1 1 5   19 45 o 154.9921 14.60294 758.2123       131.1752 798.0259       137.2998 341.5771       444.1525 158.7958 14.91752 90.74687 40.61088 68.04892       43.26402 
1 1 1 5   19 46 o 113.4840 22.04017 448.0699       141.4010 524.0343       150.0119 -157.2103      423.4467 123.3802 21.51325 70.63372 34.07973 52.74645       40.30196 
1 1 1 5   20 0  o 1583.656 38.27135 75071.88       3554.555 75071.88       3554.555 0.000000       0.000000 1583.656 38.27135 ?        ?        0.000000       38.27135 
1 1 1 5   20 1  o 734.9190 12.87326 15875.40       554.8538 14914.91       712.4037 17356.44       884.6334 711.7048 17.06773 766.9788 19.68287 -55.27405      26.05231 
1 1 1 5   20 2  f 466.4626 9.470284 6388.754       259.0779 6388.754       259.0779 0.000000       0.000000 466.4626 9.470284 ?        ?        0.000000       9.470284 
1 1 1 5   20 3  o 841.3270 11.89047 20799.49       586.6976 20666.24       712.7559 21079.49       1033.211 838.2042 14.49908 845.1541 20.84504 -6.949890      25.39171 
1 1 1 5   20 4  o 201.5527 6.174087 1193.039       72.89529 1135.478       85.53210 1345.816       139.3461 196.5569 7.433161 213.7411 11.15480 -17.18411      13.40453 
1 1 1 5   20 5  o 221.5155 9.022059 1443.107       116.9636 1362.116       198.5020 1486.182       144.7633 214.5203 15.89061 224.6439 11.02151 -10.12358      19.33870 
1 1 1 5   20 6  o 196.3810 10.23737 1135.889       117.4996 1062.034       192.4450 1179.786       148.3640 189.0309 17.55971 199.9159 12.72005 -10.88495      21.68279 
1 1 1 5   20 7  o 555.8091 8.102913 9069.086       264.1298 8470.256       455.3638 9372.717       324.2498 536.2855 14.49140 564.8899 9.787356 -28.60443      17.48693 
1 1 1 5   20 8  o 406.2719 8.443957 4846.418       201.1932 4498.426       295.8484 5145.824       274.4189 390.8607 12.92392 418.2779 11.19668 -27.41721      17.09952 
1 1 1 5   20 9  o 340.1743 10.70003 3404.185       213.2046 3309.114       263.6577 3583.807       362.4069 335.0738 13.44411 348.0759 17.81224 -13.00204      22.31636 
1 1 1 5   20 10 o 166.6366 16.77796 827.1217       161.7386 970.3334       194.6115 507.3127       290.8203 180.3163 18.67267 128.1718 36.77389 52.14458       41.24303 
1 1 1 5   20 11 o 379.9680 10.55005 4247.333       234.8721 4276.424       297.9390 4199.577       381.7434 380.8991 13.35795 376.7955 17.32122 4.103546       21.87372 
1 1 1 5   20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   20 13 o 558.4745 11.12124 9175.260       364.2564 8667.280       464.2600 9988.733       587.5029 541.9705 14.61948 581.1493 17.25652 -39.17877      22.61673 
1 1 1 5   20 14 o 100.2232 23.31390 310.8100       134.4437 314.5378       158.4361 301.2209       254.1051 100.7542 26.47326 103.0624 35.11048 -2.308220      43.97248 
1 1 1 5   20 15 f 313.0632 9.674794 2885.027       177.4200 2882.410       218.6741 2890.069       303.5060 312.6071 11.94946 312.1733 16.63766 0.4338379      20.48418 
1 1 1 5   20 16 o 319.5768 9.713840 3007.100       181.8495 3109.479       232.2568 2844.908       292.3331 324.5934 12.22235 309.7061 16.15031 14.88730       20.25385 
1 1 1 5   20 17 f 295.3407 9.901835 2569.766       171.2675 2692.290       218.3251 2373.733       276.1587 301.9207 12.35603 282.6006 16.73726 19.32016       20.80402 
1 1 1 5   20 18 o 263.1182 10.14674 2041.260       156.2836 1894.677       187.2780 2377.477       283.6326 253.0900 12.65732 282.6116 17.19395 -29.52161      21.35040 
1 1 1 5   20 19 o 249.5610 10.61342 1838.172       154.9850 1845.187       187.8652 1823.225       274.2310 249.6594 12.87411 246.7729 19.09672 2.886475       23.03101 
1 1 1 5   20 20 o 253.7361 10.33778 1900.148       153.5147 2023.222       194.4378 1696.453       250.1419 261.4134 12.72062 238.1261 18.04571 23.28731       22.07854 
1 1 1 5   20 21 o 246.5231 10.65102 1794.941       153.6291 1713.753       188.8826 1953.636       264.0747 240.3575 13.45303 255.6397 17.72332 -15.28217      22.25085 
1 1 1 5   20 22 o 152.1567 8.968140 683.9007       79.67348 698.2209       84.25195 562.7830       245.0248 153.6931 9.391905 132.7651 31.87284 20.92795       33.22778 
1 1 1 5   20 23 o 250.4298 7.205087 1845.262       105.7119 1888.468       112.6169 1524.990       306.6136 253.3006 7.589390 223.8212 23.71878 29.47943       24.90340 
1 1 1 5   20 24 o 149.5320 10.57500 662.4866       92.14139 694.3957       96.80208 354.8475       300.5719 153.0671 10.85372 110.0227 38.15999 43.04438       39.67352 
1 1 1 5   20 25 o 547.2250 8.274350 8810.236       265.5525 9030.821       305.7266 8132.465       535.9037 553.7645 9.413639 522.4844 17.51367 31.28015       19.88329 
1 1 1 5   20 26 o 305.8937 7.569323 2751.642       135.7932 2744.902       146.5002 2792.762       361.8531 305.3368 8.188435 304.8598 20.35528 0.4769897      21.94055 
1 1 1 5   20 27 o 324.5733 7.577929 3098.525       144.2494 3093.462       155.4829 3129.813       386.5202 324.1245 8.185925 322.5335 20.54042 1.591034       22.11150 
1 1 1 5   20 28 f 264.5952 8.002818 2062.433       124.0441 2089.688       133.0711 1881.747       342.6289 266.2561 8.532860 248.2591 23.82460 17.99706       25.30655 
1 1 1 5   20 29 o 377.8651 7.581191 4202.251       168.0060 4282.648       184.9608 3823.056       401.6895 381.3303 8.270427 356.3868 19.29035 24.94351       20.98851 
1 1 1 5   20 30 f 281.7014 7.687338 2338.612       126.8847 2360.553       134.6968 2165.752       378.0771 282.9386 8.125771 265.0728 24.60078 17.86584       25.90804 
1 1 1 5   20 31 o 185.3949 9.891743 1018.414       107.1633 1050.159       112.4132 702.1647       354.8094 188.2047 10.22280 143.3599 40.45021 44.84473       41.72200 
1 1 1 5   20 32 o 156.0104 11.25777 724.9315       102.3118 698.9918       106.6164 1026.844       363.7327 153.0229 11.97534 175.0216 36.61406 -21.99869      38.52270 
1 1 1 5   20 33 o 161.8079 11.57924 781.2900       109.1566 796.9662       113.6999 596.8129       390.0411 163.3395 11.95185 130.8888 43.49377 32.45062       45.10604 
1 1 1 5   20 34 o 214.8244 9.252266 1368.325       116.2955 1415.657       121.7652 876.7078       392.4289 218.4429 9.527532 155.6358 42.01924 62.80710       43.08585 
1 1 1 5   20 35 o 277.5919 8.079668 2281.075       131.3979 2267.862       140.4595 2373.683       371.8505 276.5894 8.669650 273.9758 23.36500 2.613556       24.92160 
1 1 1 5   20 36 o 110.7824 16.35676 381.8713       103.0797 403.6813       107.4424 129.5509       365.4468 113.8735 16.57408 88.80927 38.36733 25.06419       41.79416 
1 1 1 5   20 37 o 183.7660 10.85513 1014.123       116.4693 1055.315       121.3646 534.1821       414.2645 187.3759 11.09369 116.2201 44.11290 71.15578       45.48646 
1 1 1 5   20 38 o 54.28229 21.58763 60.92257       102.8791 101.1046       106.3485 -524.9611      406.0891 60.65979 22.49013 64.98077 31.80432 -4.320988      38.95280 
1 1 1 5   20 39 o 62.24735 22.63118 112.9914       106.8469 124.7466       110.5368 -54.31733      417.0131 64.43013 23.07190 80.05778 37.14344 -15.62765      43.72582 
1 1 1 5   20 40 o 66.51670 23.22280 139.9747       111.4114 132.1029       115.9477 234.7098       402.2375 65.56614 23.61127 90.95691 39.76167 -25.39077      46.24373 
1 1 1 5   20 41 o 121.2718 16.42699 467.4417       113.8324 435.5005       119.2290 796.5173       382.6962 116.0609 18.10728 130.7062 43.06894 -14.64530      46.72052 
1 1 1 5   20 42 o 101.7777 20.72293 348.7217       119.4868 358.6953       126.0378 260.1925       375.5074 102.7021 21.61068 88.66151 38.59363 14.04060       44.23223 
1 1 1 5   20 43 o 51.09922 22.04398 22.22883       120.2954 33.76150       125.5312 -107.4330      420.9135 53.11032 22.70811 73.77028 35.15973 -20.65996      41.85528 
1 1 1 5   20 44 o 56.02631 25.04667 0.4203596      168.4755 -8.130413      183.4262 46.55157       426.0457 57.32663 25.83940 78.69462 36.85214 -21.36798      45.00838 
1 1 1 5   20 45 o 89.14590 25.16080 292.6323       137.2572 192.4276       144.8857 1169.746       428.6564 73.54764 26.40521 148.4261 45.19190 -74.87846      52.34064 
1 1 1 5   20 46 o 43.74940 20.76586 -119.5739      143.8205 -112.9841      150.7719 -186.1344      479.1739 45.32509 21.43938 72.50513 35.27987 -27.18004      41.28337 
1 1 1 5   21 0  o 315.9407 7.804641 2930.115       144.6136 2764.181       182.0313 3214.036       238.1103 306.5880 10.13767 330.4104 12.30932 -23.82239      15.94652 
1 1 1 5   21 1  o 205.2355 8.353120 1238.690       100.3329 1238.690       100.3329 0.000000       0.000000 205.2355 8.353120 ?        ?        0.000000       8.353120 
1 1 1 5   21 2  f 316.6420 6.506704 2942.240       120.8315 2815.885       140.3356 3304.405       237.5886 309.7215 7.725844 335.0429 12.11127 -25.32147      14.36564 
1 1 1 5   21 3  o 277.7208 7.105383 2265.222       115.6351 2294.646       128.1591 2136.365       268.1980 279.4739 7.826823 268.6804 17.10926 10.79352       18.81451 
1 1 1 5   21 4  o 601.8903 7.942091 10635.48       280.3514 10834.58       394.3330 10431.99       398.6559 607.1670 11.07400 595.7386 11.41016 11.42841       15.90048 
1 1 1 5   21 5  o 179.6030 6.509562 947.9042       68.45369 979.5656       78.29704 845.1971       141.0199 182.5313 7.328946 168.8393 14.37819 13.69199       16.13833 
1 1 1 5   21 6  o 232.9389 8.856937 1595.871       120.7770 1393.267       185.2206 1745.743       159.3033 217.0320 14.63735 243.4401 11.18781 -26.40816      18.42333 
1 1 1 5   21 7  o 383.4363 9.917026 4322.863       222.8233 4209.826       279.2287 4521.048       369.7310 378.0726 12.61080 391.2798 16.14663 -13.20724      20.48770 
1 1 1 5   21 8  o 502.7421 9.189939 7425.114       270.9620 7174.263       407.8941 7623.244       362.5053 493.3679 14.11148 509.0598 12.14214 -15.69189      18.61626 
1 1 1 5   21 9  o 364.3972 8.367705 3899.990       178.8265 3722.549       270.1855 4038.319       238.5555 355.3781 12.98529 370.4273 10.99301 -15.04926      17.01364 
1 1 1 5   21 10 o 310.4417 10.57947 2836.988       192.3355 2632.588       233.1170 3272.786       340.3895 298.6891 13.34140 332.3915 17.52317 -33.70248      22.02395 
1 1 1 5   21 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   21 12 o 304.4274 10.26879 2728.728       183.0759 2634.965       224.6703 2914.026       315.8382 298.7983 12.85090 313.4684 17.24634 -14.67017      21.50772 
1 1 1 5   21 13 o 51.26857 22.83811 -52.05661      138.7713 -117.3155      163.6218 115.1801       261.9313 51.54387 23.68158 85.45382 34.29040 -33.90995      41.67312 
1 1 1 5   21 14 o 244.0107 10.98438 1756.384       156.7906 1504.038       185.8103 2380.341       292.1793 225.3040 14.13330 282.9269 17.69722 -57.62289      22.64822 
1 1 1 5   21 15 o 486.1790 10.25668 6956.977       292.4514 6900.195       385.2005 7034.244       449.3474 483.3264 13.60279 487.4057 15.74023 -4.079315      20.80362 
1 1 1 5   21 16 o 258.7912 10.70545 1975.688       162.1311 2210.338       202.9510 1561.794       269.5417 273.4329 12.69042 228.1481 20.35826 45.28477       23.98970 
1 1 1 5   21 17 o 172.4673 13.83743 884.4378       138.7893 915.3243       165.4832 811.1882       254.8429 175.0114 16.31046 161.7333 27.87333 13.27814       32.29479 
1 1 1 5   21 18 o 212.3354 11.67510 1333.789       144.8301 1366.151       177.2151 1268.702       251.3214 214.4646 14.16885 205.0020 21.20957 9.462677       25.50690 
1 1 1 5   21 19 o 185.3427 12.89451 1019.802       139.2881 1014.301       165.5304 1033.146       257.7927 184.3501 15.45235 183.6960 24.54226 0.6541595      29.00169 
1 1 1 5   21 20 o 244.2162 11.11617 1762.783       158.7962 1945.793       191.3100 1357.378       284.7369 256.2918 12.76798 211.2348 23.37475 45.05698       26.63457 
1 1 1 5   21 21 o 252.7967 10.77143 1888.003       159.3304 1870.414       193.2441 1925.347       281.5738 251.1539 13.16543 253.3013 19.09475 -2.147385      23.19349 
1 1 1 5   21 22 o 41.37797 17.58096 2.040467       74.41624 18.05918       76.86182 -237.7362      297.3722 44.30075 18.27362 67.12878 31.22026 -22.82802      36.17499 
1 1 1 5   21 23 o 174.7413 9.025795 901.3204       92.18438 887.6105       96.10040 1059.331       326.2513 173.3434 9.489143 183.4610 31.45350 -10.11761      32.85371 
1 1 1 5   21 24 o 130.3503 13.21836 507.4747       99.65524 528.2880       104.3131 289.9095       337.2587 132.9595 13.56725 106.3987 39.93053 26.56078       42.17248 
1 1 1 5   21 25 o 263.1110 8.101553 2038.527       124.8648 2059.655       132.2044 1863.935       380.0359 264.4116 8.536591 246.5129 26.71300 17.89874       28.04385 
1 1 1 5   21 26 o 275.3726 7.851984 2232.604       126.6797 2255.201       133.8698 2039.037       391.8098 276.7048 8.258512 257.8877 26.27212 18.81714       27.53955 
1 1 1 5   21 27 o 194.7132 9.751698 1120.571       111.0048 1095.167       116.7569 1359.510       358.0724 192.3857 10.38657 208.1319 30.21706 -15.74614      31.95233 
1 1 1 5   21 28 o 258.1425 8.276201 1964.472       125.1352 1954.509       133.8899 2033.271       351.8319 257.3828 8.883197 257.9189 23.51800 -0.5360718     25.13976 
1 1 1 5   21 29 o 159.3700 12.03676 756.5907       111.6720 798.5132       117.8158 385.7912       350.3879 163.6805 12.36458 113.5248 41.02370 50.15572       42.84655 
1 1 1 5   21 30 o 131.9319 13.97007 523.5853       106.4530 547.4891       111.4595 275.2912       359.2253 134.8596 14.31057 104.3449 40.69035 30.51472       43.13348 
1 1 1 5   21 31 o 323.1553 7.836014 3077.840       148.5104 3131.130       160.1731 2751.370       396.4521 325.7138 8.391986 299.2061 22.76363 26.50775       24.26125 
1 1 1 5   21 32 o 182.2693 10.93512 988.2986       116.3553 996.1474       122.3698 914.2911       375.7592 182.8647 11.46796 162.3460 39.78195 20.51874       41.40191 
1 1 1 5   21 33 o 104.4721 18.71157 340.7100       110.4360 311.6199       115.1130 677.0358       391.4096 99.28606 20.45017 137.0254 43.42474 -37.73938      47.99914 
1 1 1 5   21 34 o 136.2966 13.24350 561.5991       104.5285 577.8823       108.5433 353.6215       387.9199 138.1740 13.56933 107.4425 42.17082 30.73148       44.30016 
1 1 1 5   21 35 o 111.8364 16.91937 389.8394       107.5088 424.9412       113.0396 57.24147       347.9576 116.8226 16.99699 83.68582 36.77084 33.13676       40.50916 
1 1 1 5   21 36 o 125.8564 14.85055 487.7650       107.5063 490.2652       111.6548 455.9820       398.0936 125.9455 15.43877 110.9070 42.95055 15.03853       45.64105 
1 1 1 5   21 37 o 283.3315 8.674590 2389.501       143.9735 2377.659       151.9359 2493.686       450.6511 282.3734 9.186805 270.3494 28.86887 12.02399       30.29536 
1 1 1 5   21 38 o 165.7527 12.20569 834.3940       117.8194 784.4744       122.6417 1431.983       424.3302 160.2429 13.16597 191.5780 39.09172 -31.33511      41.24931 
1 1 1 5   21 39 o 56.21989 22.18286 73.35543       107.8357 76.30595       111.8768 34.71211       404.8813 57.16987 22.58316 81.85750 37.47617 -24.68763      43.75457 
1 1 1 5   21 40 o 73.90361 23.68623 184.4804       116.1889 192.6802       121.0676 88.84685       413.4590 75.30669 24.18260 83.70291 38.14915 -8.396225      45.16809 
1 1 1 5   21 41 f 81.90510 23.66863 233.7826       120.0671 249.1267       125.9610 81.23512       397.1616 84.25999 24.21000 81.21537 37.15771 3.044617       44.34884 
1 1 1 5   21 42 o 72.69135 23.59116 182.0994       115.0237 189.5681       120.7625 109.0724       377.6159 73.93320 24.18477 80.27004 36.53553 -6.336845      43.81493 
1 1 1 5   21 43 o 65.51529 23.86279 138.7256       118.8686 120.7571       125.5893 293.2610       368.3086 63.39737 24.23446 88.37115 38.34674 -24.97378      45.36278 
1 1 1 5   21 44 o 143.9710 16.74965 669.7579       138.7890 631.4791       146.6875 996.7659       428.7386 138.3671 18.54266 134.0564 45.60755 4.310623       49.23290 
1 1 1 5   21 45 o 78.84547 31.48328 227.2590       219.6889 407.7640       258.1523 -246.7367      418.3297 96.01657 35.13604 67.72816 32.95740 28.28841       48.17397 
1 1 1 5   22 0  o 542.2878 10.43897 8642.787       332.0001 8857.656       485.4439 8453.970       455.0652 548.1095 15.11597 535.5808 14.50100 12.52869       20.94687 
1 1 1 5   22 1  o 478.6449 9.342811 6730.244       262.2657 6730.244       262.2657 0.000000       0.000000 478.6449 9.342811 ?        ?        0.000000       9.342811 
1 1 1 5   22 2  o 603.8395 10.90202 10718.69       386.0815 10469.05       522.3195 11019.37       573.2280 595.9302 14.95662 611.1695 16.00624 -15.23926      21.90662 
1 1 1 5   22 3  o 365.1707 6.668061 3914.022       142.8058 3963.525       171.1610 3800.625       259.0553 367.3998 7.943565 359.2237 12.31458 8.176117       14.65432 
1 1 1 5   22 4  o 284.3993 6.278801 2373.839       104.7263 2434.739       123.3016 2216.146       198.4098 287.8880 7.308796 274.1753 12.37099 13.71271       14.36871 
1 1 1 5   22 5  o 159.0741 11.54327 748.1254       106.9581 594.1511       167.6626 853.7881       138.8907 140.1422 21.04923 169.6806 14.08372 -29.53842      25.32630 
1 1 1 5   22 6  o 450.5787 6.648591 5959.476       175.6915 5643.223       223.4819 6471.197       284.2772 438.3005 8.694006 469.1845 10.33113 -30.88406      13.50252 
1 1 1 5   22 7  o 488.0480 10.41074 7003.051       297.9851 7255.598       411.0050 6723.194       432.6574 496.0217 14.14294 477.1927 15.48014 18.82895       20.96801 
1 1 1 5   22 8  o 222.1717 8.352662 1452.050       108.6401 1282.058       182.1152 1545.967       135.3637 207.9618 15.03328 229.0901 10.09983 -21.12831      18.11094 
1 1 1 5   22 9  f 420.9258 8.456093 5205.607       208.7496 4798.573       299.0562 5592.389       291.5212 403.4560 12.65445 435.7893 11.41609 -32.33331      17.04295 
1 1 1 5   22 10 o 424.3844 15.89507 5326.909       394.9155 0.000000       0.000000 5326.909       394.9155 ?        ?        424.3844 15.89507 0.000000       15.89507 
1 1 1 5   22 11 o 99.60116 24.01061 307.6545       138.6035 273.2245       158.0085 422.5713       288.6711 94.34915 27.11751 117.9440 37.28201 -23.59484      46.10106 
1 1 1 5   22 12 o 84.86475 24.68627 219.8313       130.2215 186.5311       148.5162 330.5680       270.8296 80.74237 26.83878 107.0019 36.25024 -26.25954      45.10432 
1 1 1 5   22 13 o 47.98877 21.56700 -58.84289      126.7257 -191.6326      145.2077 365.4652       259.5662 43.06919 20.56154 110.1292 35.41317 -67.06001      40.94960 
1 1 1 5   22 14 o 404.2447 9.812202 4809.005       232.6277 4664.070       289.3290 5074.021       391.2364 397.4897 12.42652 413.6721 16.15729 -16.18240      20.38324 
1 1 1 5   22 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   22 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   22 17 o 254.5068 10.81718 1912.699       161.0914 1841.466       196.6672 2057.937       280.8226 249.2274 13.50552 262.3375 18.36852 -13.11008      22.79916 
1 1 1 5   22 18 o 220.3933 11.49930 1436.985       148.1206 1242.897       175.4617 1918.300       276.3105 204.3256 14.74139 253.0358 18.75266 -48.71016      23.85310 
1 1 1 5   22 19 o 88.40539 24.48989 243.0556       131.3383 247.4798       151.5620 229.7168       263.1684 89.65063 26.78001 95.11623 35.35735 -5.465599      44.35438 
1 1 1 5   22 20 o 153.0681 16.27365 703.5192       143.8533 567.4874       163.0879 1180.325       305.3318 136.1322 21.11044 195.3652 27.40085 -59.23300      34.58984 
1 1 1 5   22 21 o 227.4630 13.02868 1534.797       173.0778 1671.400       204.8700 1194.239       323.4767 237.0138 14.81259 195.9277 29.02806 41.08611       32.58897 
1 1 1 5   22 22 o 132.7040 21.59527 540.7547       162.2975 641.1343       185.3181 210.3447       336.2186 144.4721 22.61284 99.75203 39.22762 44.72006       45.27855 
1 1 1 5   22 23 o 78.34779 29.03330 150.9582       177.1902 340.1656       204.9782 -408.4194      352.4448 104.3729 31.13548 67.82890 32.28440 36.54404       44.85199 
1 1 1 5   22 24 o 257.6995 8.815544 1957.159       133.0373 1954.045       141.6887 1980.348       386.6473 257.4058 9.401484 254.3182 26.30224 3.087555       27.93199 
1 1 1 5   22 25 o 440.2462 7.787297 5701.565       201.0634 5699.148       220.7536 5713.333       487.0269 440.0084 8.554534 436.8612 19.05482 3.147217       20.88698 
1 1 1 5   22 26 o 246.7542 8.427764 1794.791       121.7838 1836.873       128.0434 1395.680       394.3249 249.5815 8.761296 209.5752 33.18632 40.00627       34.32335 
1 1 1 5   22 27 o 281.0088 8.201114 2327.280       135.0139 2342.425       143.7910 2214.461       392.4494 281.8320 8.709885 268.4761 25.21989 13.35590       26.68155 
1 1 1 5   22 28 o 195.2530 11.60192 1132.401       132.2561 1205.393       140.6478 574.9046       388.7025 201.3888 11.96212 131.7126 43.40584 69.67619       45.02398 
1 1 1 5   22 29 o 268.7738 8.372104 2131.724       131.8081 2150.399       140.4996 1994.636       380.6630 269.8419 8.890137 253.2216 26.00140 16.62030       27.47922 
1 1 1 5   22 30 o 268.8810 8.338648 2134.129       131.3351 2116.681       139.2483 2274.689       395.2263 267.6593 8.882986 270.5732 25.19596 -2.913940      26.71598 
1 1 1 5   22 31 o 64.59955 23.44822 109.7787       114.6376 170.0585       120.3211 -483.4460      377.4553 74.79073 24.11641 66.89095 32.24941 7.899780       40.26941 
1 1 1 5   22 32 o 63.06337 23.31089 101.4576       114.0984 67.79865       119.8252 428.5518       373.5374 59.17439 23.37267 115.1014 42.24143 -55.92704      48.27650 
1 1 1 5   22 33 o 143.7593 14.01995 625.7853       116.7039 717.6576       123.0130 -201.5638      369.1505 154.1239 13.75350 74.78247 34.78148 79.34138       37.40201 
1 1 1 5   22 34 f 36.35418 17.37373 -130.9084      104.2433 -94.58280      109.1344 -509.1397      352.1550 40.04637 18.72030 61.32341 29.92867 -21.27704      35.30120 
1 1 1 5   22 35 o 111.5431 18.17813 392.9901       114.8251 319.8302       120.6468 1096.644       374.1613 99.10825 21.38496 171.6517 38.15596 -72.54346      43.74007 
1 1 1 5   22 36 o 160.6871 12.54629 783.3766       117.2986 748.2776       122.4276 1176.141       409.5414 156.6328 13.45775 172.9602 41.00223 -16.32738      43.15430 
1 1 1 5   22 37 o 181.5012 11.47185 994.9590       121.4887 976.3638       127.3649 1182.645       404.6366 179.4636 12.17309 172.1577 40.71888 7.305893       42.49954 
1 1 1 5   22 38 o 135.4565 16.04296 575.2487       124.9772 654.7565       131.4985 -167.2418      401.8475 144.7794 15.73990 74.18053 35.06228 70.59888       38.43317 
1 1 1 5   22 39 o 91.39651 21.63881 281.9384       114.1809 258.7843       119.0680 546.7556       402.6740 86.90322 23.00476 110.2200 43.05221 -23.31680      48.81303 
1 1 1 5   22 40 o 104.2847 19.79720 359.9176       116.6534 401.5320       122.5258 -43.26429      381.3787 110.3733 19.64870 75.39924 35.16356 34.97408       40.28086 
1 1 1 5   22 41 o 42.26518 19.73069 -82.91203      120.5610 -64.60150      127.0805 -247.7568      381.2993 44.88116 20.71062 67.18861 32.39800 -22.30745      38.45205 
1 1 1 5   22 42 o 51.48904 21.93647 32.35607       116.4021 51.84155       121.4244 -188.6843      408.9649 54.40572 22.74843 70.20187 33.77533 -15.79615      40.72179 
1 1 1 5   22 43 o 97.34289 21.47600 327.4844       119.3108 318.1866       124.4690 432.7396       418.7876 95.13163 22.63855 95.77323 41.22154 -0.6416016     47.02892 
1 1 1 5   22 44 o 55.30020 23.73071 43.49680       138.0124 87.61020       145.4549 -354.7810      437.0550 60.67761 25.09407 66.29699 32.56019 -5.619381      41.10814 
1 1 1 5   22 45 o 84.63808 26.50695 271.1808       146.2494 291.9279       155.2610 107.8596       435.6178 87.18813 27.31223 79.24348 37.15873 7.944649       46.11647 
1 1 1 5   23 0  o 108.2148 27.15935 363.0767       172.0762 363.0767       172.0762 0.000000       0.000000 108.2148 27.15935 ?        ?        0.000000       27.15935 
1 1 1 5   23 1  o 591.4969 15.01451 10323.04       520.4307 10323.04       520.4307 0.000000       0.000000 591.4969 15.01451 ?        ?        0.000000       15.01451 
1 1 1 5   23 2  o 856.4365 14.80133 21626.07       743.4407 20633.24       977.5776 22987.87       1144.906 834.6880 19.96993 879.7346 22.20829 -45.04657      29.86647 
1 1 1 5   23 3  o 496.6948 9.802339 7252.008       285.5419 7189.250       400.7057 7316.753       407.0023 493.7510 13.85148 498.0943 13.94641 -4.343323      19.65620 
1 1 1 5   23 4  o 450.8925 7.364485 5970.067       194.7448 5809.139       228.0049 6404.137       374.4615 444.6456 8.743384 465.9877 13.71687 -21.34210      16.26651 
1 1 1 5   23 5  o 120.1774 7.601082 425.8565       53.29887 446.6591       58.44949 323.1844       129.8519 123.0404 8.145809 102.3745 22.26310 20.66593       23.70654 
1 1 1 5   23 6  o 218.1970 6.164718 1398.693       78.80920 1484.649       93.16925 1182.521       147.7524 224.7423 7.077486 199.9731 12.66336 24.76923       14.50695 
1 1 1 5   23 7  o 200.8076 9.527909 1188.203       111.8891 1323.319       176.0152 1096.580       144.9428 211.3351 14.28524 192.4880 12.91405 18.84705       19.25723 
1 1 1 5   23 8  o 145.8687 8.705760 627.5879       74.13767 765.7281       165.6538 592.9887       82.90383 159.8350 17.98342 141.6351 10.04572 18.19997       20.59903 
1 1 1 5   23 9  o 190.1385 10.59953 1067.208       117.7294 0.000000       0.000000 1067.208       117.7294 ?        ?        190.1385 10.59953 0.000000       10.59953 
1 1 1 5   23 10 o 319.3270 10.00726 3003.147       187.1823 2875.980       225.4713 3285.145       335.7578 312.1315 12.34127 332.6061 17.27173 -20.47461      21.22780 
1 1 1 5   23 11 o 572.6206 11.37779 9659.281       382.0987 8979.557       469.8735 10986.33       656.5363 551.1182 14.55009 608.1688 18.42831 -57.05060      23.47994 
1 1 1 5   23 12 o 441.9311 10.23280 5749.375       265.2159 5658.213       338.6636 5893.947       426.4852 437.6521 13.20950 445.8229 16.33903 -8.170746      21.01083 
1 1 1 5   23 13 o 540.1381 10.91899 8595.163       345.8898 8034.053       430.9091 9611.639       579.9764 521.2128 14.10976 568.8947 17.40359 -47.68188      22.40470 
1 1 1 5   23 14 o 243.7833 11.29460 1755.570       161.0436 1670.076       188.4352 1987.193       310.1606 237.3667 13.59287 257.2655 20.73219 -19.89874      24.79093 
1 1 1 5   23 15 o 183.3325 13.02537 997.7926       139.1369 853.5446       163.0031 1385.054       267.0809 168.7935 16.68404 214.1518 21.55831 -45.35834      27.26019 
1 1 1 5   23 16 o 362.3344 9.865286 3869.942       209.4428 3768.290       261.9237 4050.196       348.7868 356.9703 12.53044 369.0868 16.15228 -12.11652      20.44280 
1 1 1 5   23 17 o 251.6524 10.76461 1870.661       158.5059 1691.734       192.6810 2245.219       278.7794 238.7166 13.82187 274.1989 17.42599 -35.48232      22.24206 
1 1 1 5   23 18 o 341.1491 10.18585 3433.245       203.5660 3476.861       254.6216 3355.982       338.8887 342.7499 12.68872 335.4111 17.28609 7.338837       21.44324 
1 1 1 5   23 19 o 266.6275 10.69995 2099.807       166.9760 1846.517       191.2329 2912.550       342.5554 249.5387 13.11297 311.8882 18.81506 -62.34956      22.93374 
1 1 1 5   23 20 o 58.64317 24.89143 9.898491       148.9116 54.89585       169.5908 -141.5968      311.1775 66.64920 27.27995 73.80027 33.42260 -7.151070      43.14240 
1 1 1 5   23 21 o 400.6620 11.15367 4739.618       261.8325 5095.407       338.9304 4213.001       412.3455 414.6486 13.95723 375.3641 18.79062 39.28442       23.40709 
1 1 1 5   23 22 o 105.7510 29.20346 352.3376       187.0858 502.6501       218.2206 -64.57759      363.4310 125.8023 30.00039 84.56049 37.35025 41.24184       47.90684 
1 1 1 5   23 23 o 115.7613 26.34680 421.8073       174.8382 388.0345       197.3467 545.0424       376.9756 110.6799 29.76128 131.0905 42.72018 -20.41061      52.06485 
1 1 1 5   23 24 o 284.7285 12.80480 2402.675       213.2759 2457.827       251.2516 2260.465       403.4521 287.4358 14.95595 271.8821 25.60378 15.55362       29.65188 
1 1 1 5   23 25 o 221.5406 15.68042 1466.599       202.4167 1599.615       235.1234 1085.759       397.8456 230.9026 17.49280 181.9571 38.48550 48.94557       42.27448 
1 1 1 5   23 26 o 393.0544 8.361593 4550.190       192.7490 4512.927       210.2844 4746.077       482.1375 391.2695 9.163904 396.4475 20.80933 -5.178009      22.73775 
1 1 1 5   23 27 o 372.6172 8.493558 4092.150       185.6107 4076.917       202.4574 4172.426       464.7573 371.7392 9.286343 370.6693 21.47098 1.069885       23.39314 
1 1 1 5   23 28 o 36.81739 17.51512 -127.0767      103.4739 -104.2764      107.5869 -408.2887      377.8379 39.45204 18.48917 69.94514 33.32976 -30.49310      38.11460 
1 1 1 5   23 29 o 284.0375 8.163235 2380.588       135.8431 2438.738       145.0297 1964.709       387.8488 287.3872 8.614491 250.4073 26.82746 36.97992       28.17662 
1 1 1 5   23 30 o 126.9111 15.58025 489.1815       113.5341 545.2866       118.7712 -105.2498      386.5991 134.1437 15.37449 82.64398 37.35753 51.49969       40.39753 
1 1 1 5   23 31 o 149.3938 13.63372 671.8672       118.1380 666.4151       123.5750 729.7679       402.7082 148.5726 14.36094 142.2443 43.89584 6.328308       46.18530 
1 1 1 5   23 32 o 78.54754 22.59815 196.7931       109.6790 176.0458       114.6907 418.7448       375.1258 74.98129 23.47209 112.8876 42.16444 -37.90635      48.25742 
1 1 1 5   23 33 o 84.98614 22.58935 234.8541       114.5105 294.0960       119.9896 -369.7424      383.3203 95.28300 21.92770 69.23528 33.14919 26.04772       39.74535 
1 1 1 5   23 34 o 58.92718 22.53884 84.68806       108.6714 67.70333       114.0609 251.7803       357.7549 57.34121 22.75435 95.71797 39.44752 -38.37676      45.53973 
1 1 1 5   23 35 o 227.4937 10.04212 1548.037       133.6514 1536.471       141.1815 1647.863       414.7776 226.3571 10.66489 214.5472 34.10430 11.80989       35.73294 
1 1 1 5   23 36 o 120.5459 17.07501 457.5307       117.3411 469.9067       122.6383 323.4812       403.6151 121.9068 17.66763 99.64834 41.55575 22.25849       45.15557 
1 1 1 5   23 37 o 61.91776 23.21934 106.4509       113.9924 144.2623       119.4165 -281.6382      382.5771 68.08759 24.02150 68.91531 33.02825 -0.8277206     40.83990 
1 1 1 5   23 38 o 69.00364 24.33569 152.0065       122.5521 103.3746       129.6880 557.7960       374.6185 62.72135 24.45168 112.1995 42.08901 -49.47814      48.67617 
1 1 1 5   23 39 o 92.44713 21.75843 290.1876       115.9951 330.7711       121.4397 -132.2031      391.7807 98.98052 21.53378 73.02970 34.54879 25.95082       40.71022 
1 1 1 5   23 40 o 150.5488 13.95937 705.5015       121.8482 660.4613       128.3818 1114.524       386.8805 144.7619 15.35555 158.1059 41.28412 -13.34398      44.04737 
1 1 1 5   23 41 o 144.7753 15.72708 665.7820       131.3914 695.0654       140.0153 449.7931       380.2601 147.4158 16.47645 98.86958 40.69993 48.54619       43.90852 
1 1 1 5   23 42 o 72.03043 24.87012 180.3406       127.6093 190.1933       134.9621 97.23722       391.9602 73.60321 25.56820 79.14535 36.46830 -5.542137      44.53841 
1 1 1 5   23 43 o 37.10247 18.10129 -193.0207      128.4917 -211.5044      133.8978 22.11273       456.8076 37.30772 18.26052 78.03960 37.03229 -40.73188      41.28967 
1 1 1 5   23 44 o 155.3097 16.79932 781.6556       150.5846 783.2176       158.1785 766.5491       491.9082 154.6225 17.76552 109.8868 45.85480 44.73569       49.17598 
1 1 1 5   24 0  o 598.9470 16.07054 10607.24       563.9968 10607.24       563.9968 0.000000       0.000000 598.9470 16.07054 ?        ?        0.000000       16.07054 
1 1 1 5   24 1  o 305.5999 7.605633 2743.289       136.3136 2575.073       167.2386 3076.256       235.2902 295.7713 9.654108 322.9148 12.44742 -27.14352      15.75246 
1 1 1 5   24 2  o 254.4466 7.745651 1903.678       115.4514 1903.678       115.4514 0.000000       0.000000 254.4466 7.745651 ?        ?        0.000000       7.745651 
1 1 1 5   24 3  o 396.1778 6.996158 4609.429       162.5550 4410.184       188.0282 5198.968       323.4343 387.4058 8.275730 419.7578 13.15447 -32.35202      15.54116 
1 1 1 5   24 4  o 383.2692 8.108975 4316.339       182.2722 4150.181       229.0205 4603.448       301.0483 375.4286 10.41156 394.9655 13.01427 -19.53687      16.66649 
1 1 1 5   24 5  o 307.4595 6.617094 2775.905       119.3179 2977.476       142.3275 2299.236       218.8689 318.3540 7.623035 278.8953 13.42050 39.45871       15.43439 
1 1 1 5   24 6  o 248.1602 8.692405 1812.568       126.3140 1754.499       201.7117 1850.029       162.0130 243.3928 14.19257 250.4307 11.05819 -7.037842      17.99201 
1 1 1 5   24 7  o 249.6459 6.137219 1829.907       89.85591 1876.818       107.2665 1719.546       164.5266 252.6582 7.246512 241.3184 11.65956 11.33983       13.72797 
1 1 1 5   24 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   24 9  o 232.2438 8.413187 1587.830       114.4029 1537.695       200.1849 1612.145       139.4117 227.5559 15.08521 233.8061 10.19148 -6.250183      18.20521 
1 1 1 5   24 10 o 210.1204 8.462896 1300.297       104.0755 1267.089       181.3053 1316.618       127.1024 206.4392 15.07903 211.2194 10.29150 -4.780121      18.25629 
1 1 1 5   24 11 o 141.3905 18.74932 604.3336       151.6450 624.6261       169.3242 522.0965       340.8668 143.3204 20.74751 129.0921 40.47292 14.22829       45.48095 
1 1 1 5   24 12 o 271.5963 11.29426 2178.230       179.5078 2167.877       209.3764 2206.949       348.7336 270.5982 13.23340 270.7380 22.15676 -0.1397705     25.80784 
1 1 1 5   24 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   24 14 o 285.3209 10.51411 2402.566       175.6358 2159.809       205.3039 3065.165       339.1855 270.0361 13.00178 320.4011 18.12455 -50.36505      22.30573 
1 1 1 5   24 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   24 16 f 138.4134 18.33672 580.4243       145.1924 451.0174       168.3237 956.5952       286.9849 120.1809 24.70734 175.0227 28.97117 -54.84177      38.07600 
1 1 1 5   24 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   24 18 o 115.1646 22.99602 412.3547       149.8768 269.1867       170.6605 895.0953       313.3768 93.51678 28.52320 167.6714 33.04370 -74.15466      43.65157 
1 1 1 5   24 19 o 193.1433 14.50909 1111.312       163.1489 1211.965       189.0543 817.6732       322.9077 201.3839 16.14213 159.2996 35.47398 42.08427       38.97398 
1 1 1 5   24 20 o 210.1076 14.76711 1314.559       180.8061 1209.783       209.8853 1616.046       356.0302 200.7578 18.01763 229.2948 26.99186 -28.53694      32.45298 
1 1 1 5   24 21 o 401.6256 11.25168 4763.116       264.7654 4450.863       319.2567 5450.931       473.8302 387.4640 14.07279 426.9880 18.96889 -39.52399      23.61911 
1 1 1 5   24 22 f 432.7623 11.75084 5534.331       297.9659 6003.946       392.5318 4895.803       457.7130 449.7225 14.90321 404.3390 19.35800 45.38358       24.43026 
1 1 1 5   24 23 o 80.25613 29.92248 158.0759       188.7523 214.6391       216.4393 -21.55558      385.7095 89.30478 32.24636 89.09686 38.94265 0.2079163      50.56043 
1 1 1 5   24 24 o 95.15765 29.43935 280.4616       180.9998 78.20073       201.9857 1104.898       407.7963 73.38059 29.87121 183.1814 39.14649 -109.8008      49.24162 
1 1 1 5   24 25 o 263.5152 12.95412 2062.794       199.5864 1986.577       232.7836 2274.317       387.7972 257.8839 15.46240 272.3470 24.54205 -14.46301      29.00686 
1 1 1 5   24 26 o 415.0614 11.36740 5101.960       276.4488 4914.784       325.5205 5586.215       523.5885 406.4772 13.67447 429.4091 20.85301 -22.93195      24.93670 
1 1 1 5   24 27 o 139.4412 22.15657 604.3588       175.1396 604.6738       194.5745 603.0143       402.0190 138.5248 24.86377 133.6528 44.14741 4.872025       50.66755 
1 1 1 5   24 28 o 94.63071 18.66751 278.7997       99.92041 299.7000       103.1828 -36.12803      400.5318 98.21628 18.59388 87.92570 39.00467 10.29057       43.20992 
1 1 1 5   24 29 o 66.82547 22.75566 128.7682       106.7362 185.2052       111.0807 -550.6692      385.4174 77.00949 22.90764 65.85933 31.95239 11.15016       39.31558 
1 1 1 5   24 30 o 251.1238 9.412745 1868.136       138.3838 1850.050       146.0609 2026.745       432.5357 249.7435 9.992335 250.5776 30.03009 -0.8340759     31.64890 
1 1 1 5   24 31 o 78.38846 22.55692 195.7291       109.2687 230.9297       114.6590 -152.4640      360.6143 84.77770 22.63591 76.25443 35.07941 8.523277       41.74864 
1 1 1 5   24 32 o 41.43348 18.94866 -59.88906      103.1385 -30.56065      107.3047 -415.7245      373.7654 45.08903 20.08416 66.80350 32.17808 -21.71447      37.93155 
1 1 1 5   24 33 o 144.8812 14.18770 640.6987       119.0083 696.1116       124.5878 63.27038       402.1786 151.0494 14.23163 87.70187 38.98489 63.34755       41.50134 
1 1 1 5   24 34 o 144.6739 13.44892 638.3262       112.8045 617.4071       118.4117 843.6449       370.9686 141.8548 14.43394 145.4805 41.46702 -3.625763      43.90731 
1 1 1 5   24 35 o 42.59821 19.72751 -78.55696      116.8219 -90.65311      122.5072 42.76727       387.9822 42.93724 19.99263 83.47638 37.60717 -40.53913      42.59114 
1 1 1 5   24 36 o 180.9007 11.57620 990.4945       122.1720 979.4419       128.8664 1088.660       384.0494 179.5190 12.31451 164.2147 40.20543 15.30432       42.04906 
1 1 1 5   24 37 o 53.65975 22.13889 48.34006       112.8492 -6.991815      117.9434 647.6833       388.1716 48.53551 21.36415 119.4348 43.17630 -70.89932      48.17281 
1 1 1 5   24 38 o 109.7101 20.05480 397.1981       124.2838 391.4890       130.6726 451.3377       402.3995 108.1185 21.36577 102.8305 42.04742 5.287979       47.16441 
1 1 1 5   24 39 o 81.54481 24.03140 232.7027       122.7106 309.0347       129.0509 -487.3639      396.3639 94.19118 23.45224 62.31689 30.68448 31.87429       38.62053 
1 1 1 5   24 40 o 96.82655 21.69771 321.7700       120.1547 283.5914       125.9541 707.9533       400.5894 89.64677 23.62760 117.5729 43.63831 -27.92616      49.62424 
1 1 1 5   24 41 o 60.64639 24.18457 97.03915       129.4661 83.77922       136.9921 207.8704       396.0554 59.86976 24.51321 84.49302 38.03679 -24.62326      45.25146 
1 1 1 5   24 42 o 86.43736 25.68010 276.0619       139.6644 216.0762       147.1621 820.1588       443.2106 77.03593 26.70222 118.5554 45.47445 -41.51949      52.73457 
1 1 1 5   24 43 o 92.08524 30.07982 339.8644       186.8404 325.4742       199.8633 439.6167       526.2128 89.53352 31.11364 93.75977 42.84919 -4.226242      52.95386 
1 1 1 5   24 44 f 42.15088 20.42727 -190.2796      156.3915 -230.4447      163.3744 249.6796       540.7117 41.56125 20.30573 85.98422 40.65050 -44.42297      45.43991 
1 1 1 5   25 0  o 824.2289 20.67372 20231.39       998.5598 20231.39       998.5598 0.000000       0.000000 824.2289 20.67372 ?        ?        0.000000       20.67372 
1 1 1 5   25 1  o 308.5071 7.963896 2799.007       143.9720 2915.289       185.9368 2624.912       227.5116 314.5828 10.09119 298.0201 13.04852 16.56265       16.49533 
1 1 1 5   25 2  o 175.1477 7.487776 902.9783       76.73695 843.1326       85.13100 1162.342       177.2255 169.1266 8.611066 197.6810 15.40821 -28.55441      17.65116 
1 1 1 5   25 3  o 312.0179 7.860271 2862.939       143.7215 2838.007       240.9201 2876.714       179.0756 309.8404 13.28909 312.5256 9.782177 -2.685181      16.50124 
1 1 1 5   25 4  o 395.0397 6.993022 4584.316       162.0154 4600.139       192.2666 4545.564       300.8941 395.5787 8.287441 392.2790 13.09717 3.299713       15.49895 
1 1 1 5   25 5  o 558.2918 8.757781 9165.938       286.7516 9088.998       458.4092 9215.397       367.5384 554.5156 14.10723 559.2910 11.20506 -4.775452      18.01576 
1 1 1 5   25 6  o 108.0868 8.963257 345.9635       56.30790 387.8036       61.16142 113.2886       144.2301 114.4517 9.188964 69.93127 26.13980 44.52045       27.70788 
1 1 1 5   25 7  o 355.4502 8.025533 3714.204       167.3028 3714.204       167.3028 0.000000       0.000000 355.4502 8.025533 ?        ?        0.000000       8.025533 
1 1 1 5   25 8  o 194.5236 14.26576 1124.507       161.6169 1118.347       186.5279 1143.058       323.7095 193.5363 16.59351 192.0626 29.69540 1.473663       34.01707 
1 1 1 5   25 9  o 308.7034 8.152135 2804.117       147.4630 2713.232       221.1892 2876.831       197.8462 302.9559 12.47568 312.2781 10.81913 -9.322174      16.51351 
1 1 1 5   25 10 o 175.7758 15.26786 921.7563       155.8341 942.7284       174.4368 838.8626       346.7993 177.4279 16.97009 161.4072 37.37307 16.02063       41.04547 
1 1 1 5   25 11 o 230.6798 8.280634 1567.215       111.8455 1363.469       182.8502 1689.021       141.3786 214.1161 14.64940 239.2402 10.09896 -25.12415      17.79309 
1 1 1 5   25 12 o 101.0870 25.70639 320.4985       152.7235 391.6258       173.1975 71.88060       323.8097 111.5618 26.80625 88.43560 37.07467 23.12621       45.75048 
1 1 1 5   25 13 o 303.7525 11.26268 2725.664       200.2901 2659.363       238.5868 2883.910       368.5986 299.5199 13.61783 309.9048 20.39367 -10.38489      24.52237 
1 1 1 5   25 14 o 94.97409 26.34426 281.8838       151.8706 133.0631       178.2447 676.1309       290.1143 76.35084 28.94599 144.9433 34.60798 -68.59245      45.11743 
1 1 1 5   25 15 o 264.0868 11.31048 2061.825       174.7717 1998.596       206.8278 2219.709       326.8292 259.5195 13.63688 271.5166 20.68014 -11.99713      24.77161 
1 1 1 5   25 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   25 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   25 18 o 58.73368 25.35055 -9.514101      159.2513 -33.54063      179.9873 77.10780       341.7513 60.44858 26.50682 90.59206 38.04033 -30.14349      46.36462 
1 1 1 5   25 19 o 238.5087 13.72335 1688.950       191.1514 1716.357       223.3316 1613.870       369.6406 239.9251 15.96250 228.6763 28.15559 11.24878       32.36570 
1 1 1 5   25 20 o 368.5541 11.55385 4013.556       249.4259 4163.509       311.1102 3743.744       417.3177 374.6671 14.18414 353.1679 20.23281 21.49915       24.70945 
1 1 1 5   25 21 o 208.8149 15.76259 1302.155       191.6112 1373.735       225.4636 1116.021       363.5765 213.8946 18.14428 186.9516 34.42834 26.94299       38.91690 
1 1 1 5   25 22 o 324.6458 11.89012 3118.865       226.0020 3190.789       268.7537 2945.185       417.6328 327.7984 14.01200 311.6021 23.01546 16.19626       26.94527 
1 1 1 5   25 23 o 143.5074 22.91092 636.7059       186.3461 770.4661       210.9101 160.7156       397.8626 157.9716 23.47781 100.7517 41.56882 57.21999       47.74069 
1 1 1 5   25 24 o 73.30579 29.20232 97.79572       188.5670 170.7978       212.2865 -175.2127      410.5281 83.65203 31.61765 83.49973 38.03999 0.1523056      49.46429 
1 1 1 5   25 25 o 234.4228 14.69195 1642.666       200.9743 1793.860       227.5449 1106.320       428.5701 244.6067 15.94862 180.4430 41.38107 64.16373       44.34807 
1 1 1 5   25 26 o 350.6692 12.12226 3651.195       248.9305 3704.442       296.9929 3525.442       456.4101 352.3246 14.40354 339.1090 23.08677 13.21558       27.21141 
1 1 1 5   25 27 o 137.3920 22.22532 588.7502       172.9735 596.8318       190.9316 551.7499       408.5384 137.4918 24.58061 128.5349 44.49358 8.956863       50.83193 
1 1 1 5   25 28 o 148.8170 13.34587 664.7386       115.2441 707.2448       120.1519 176.0828       407.3864 153.5005 13.48346 99.93166 41.71740 53.56885       43.84227 
1 1 1 5   25 29 o 217.5546 9.531701 1403.102       121.3204 1388.149       126.5931 1571.471       424.7923 216.2702 10.00788 217.2068 34.49886 -0.9365997     35.92114 
1 1 1 5   25 30 o 26.46728 13.35810 -315.4872      98.13897 -313.1300      101.4659 -349.6744      386.4161 27.32655 13.76548 71.33897 33.91219 -44.01242      36.59952 
1 1 1 5   25 31 o 144.2090 12.72731 627.7651       106.5378 686.2853       111.4932 12.98821       361.3718 150.8284 12.72272 83.24797 36.98256 67.58038       39.10981 
1 1 1 5   25 32 o 169.7344 11.01505 864.3873       109.0574 854.2902       113.5505 984.4561       391.5651 168.5446 11.55740 159.9146 41.42253 8.630005       43.00464 
1 1 1 5   25 33 o 97.16729 20.98695 307.8125       116.0948 356.4607       121.1211 -242.1034      407.2254 105.0061 20.40311 74.30595 35.17353 30.70019       40.66281 
1 1 1 5   25 34 o 57.66138 22.63093 75.81068       111.7139 39.76238       117.3746 422.7261       364.1192 53.97072 22.45053 106.0479 41.07471 -52.07717      46.80980 
1 1 1 5   25 35 o 53.75606 22.50776 37.38039       119.1157 -22.86224      124.9914 633.3167       393.1227 48.72130 21.69078 121.0056 43.48882 -72.28433      48.59802 
1 1 1 5   25 36 o 123.2205 16.83850 481.3425       118.5048 495.8477       124.5249 342.1124       385.7988 124.7266 17.50455 97.24136 40.59588 27.48520       44.20899 
1 1 1 5   25 37 o 91.61980 21.68247 283.9691       114.6810 267.3416       120.1466 454.3493       384.5982 88.23743 22.98985 103.3992 41.53049 -15.16176      47.46909 
1 1 1 5   25 38 o 121.8834 17.63469 478.7007       122.3967 500.2661       129.1547 288.6573       383.4047 124.2463 18.26967 91.32806 39.37619 32.91828       43.40813 
1 1 1 5   25 39 o 100.9193 21.76429 348.7192       125.0235 344.6888       131.2770 388.0255       409.9625 99.53918 22.95622 95.71655 40.98368 3.822632       46.97500 
1 1 1 5   25 40 o 77.48942 24.22648 213.3281       122.2214 182.8134       128.7756 490.4160       388.0495 72.53147 24.98607 100.6539 41.23953 -28.12247      48.21828 
1 1 1 5   25 41 o 48.56287 21.89817 -23.32334      131.8932 50.36432       139.5748 -638.0352      403.1303 56.42117 24.02879 58.10896 29.00564 -1.687790      37.66576 
1 1 1 5   25 42 o 71.76676 27.00383 178.1810       154.4598 159.0833       163.6848 333.4264       466.6896 69.86618 27.40198 89.47450 40.68272 -19.60832      49.05051 
1 1 1 5   25 43 f 51.25423 23.29172 -26.03354      152.7110 -62.46921      159.3876 381.7373       533.2112 49.73422 23.03596 90.84911 42.09839 -41.11489      47.98885 
1 1 1 5   26 0  o 424.0897 8.858913 5290.473       220.3376 5314.963       293.0773 5258.635       334.1573 424.3994 11.78630 421.7236 13.52804 2.675781       17.94226 
1 1 1 5   26 1  o 200.4949 8.257568 1183.967       96.88926 1183.967       96.88926 0.000000       0.000000 200.4949 8.257568 ?        ?        0.000000       8.257568 
1 1 1 5   26 2  o 270.7030 7.825853 2155.939       124.1136 2085.909       147.1524 2328.550       231.0250 266.0655 9.445345 280.3292 14.09731 -14.26370      16.96905 
1 1 1 5   26 3  o 260.1851 7.785952 1991.775       118.6740 1991.775       118.6740 0.000000       0.000000 260.1851 7.785952 ?        ?        0.000000       7.785952 
1 1 1 5   26 4  o 404.5264 7.222446 4808.907       171.3491 4888.068       201.9280 4605.285       323.8554 407.6819 8.445487 394.4577 14.02141 13.22421       16.36845 
1 1 1 5   26 5  o 156.5554 7.577600 722.1152       69.36790 707.9568       76.77007 785.0963       161.9160 154.9164 8.482120 161.7209 17.34209 -6.804550      19.30530 
1 1 1 5   26 6  o 60.00003 15.05709 110.7318       52.89264 125.2444       55.51202 -32.25224      174.2442 63.78225 15.07933 59.66592 26.12428 4.116337       30.16396 
1 1 1 5   26 7  o 517.4169 8.505084 7875.578       258.0892 8083.604       307.8222 7383.240       473.5581 523.8837 10.01877 498.6483 16.21460 25.23538       19.06014 
1 1 1 5   26 8  o 137.9532 7.792039 561.3697       62.78622 583.4069       64.17224 67.67846       303.7364 140.6414 7.810750 85.91261 35.95453 54.72876       36.79315 
1 1 1 5   26 9  o 100.0048 25.13066 313.3873       147.1954 339.4311       164.2863 207.3894       331.4341 103.9260 26.78560 99.26407 38.97411 4.661911       47.29111 
1 1 1 5   26 10 o 305.0632 10.74911 2747.366       192.0144 2599.524       226.2428 3128.113       363.0726 296.2573 13.05337 323.2273 19.23997 -26.96997      23.25010 
1 1 1 5   26 11 o 288.9065 9.046309 2459.661       153.0889 2671.369       237.1740 2308.463       200.4345 300.2054 13.50553 279.2957 12.26643 20.90964       18.24458 
1 1 1 5   26 12 f 269.2241 11.97952 2144.715       188.6753 2033.868       219.3792 2459.667       369.7893 261.6451 14.35155 285.3230 22.27513 -23.67789      26.49808 
1 1 1 5   26 13 o 88.75679 27.53157 240.1287       158.1815 147.9612       179.3043 563.6353       335.9258 78.17915 29.16084 132.2272 39.95367 -54.04805      49.46363 
1 1 1 5   26 14 o 221.8711 13.69666 1462.526       177.3551 1287.017       208.8247 1916.787       335.9581 207.2452 17.33974 251.3608 23.04584 -44.11568      28.84055 
1 1 1 5   26 15 o 470.3669 10.88491 6526.210       300.2700 6253.292       373.5113 7024.842       504.8686 459.3772 13.87977 485.3217 17.76772 -25.94452      22.54640 
1 1 1 5   26 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   26 17 o 180.4732 16.42452 975.4411       171.9400 935.2540       195.7373 1111.224       359.7933 175.9906 19.27931 186.9287 34.07413 -10.93813      39.15020 
1 1 1 5   26 18 o 357.5756 11.56617 3778.078       242.2346 3622.557       285.9784 4173.023       455.7293 349.5168 13.97950 372.6608 20.93594 -23.14404      25.17420 
1 1 1 5   26 19 o 303.4992 12.57026 2727.350       223.2601 3035.010       268.0438 2030.365       403.4429 319.7348 14.33080 257.0812 27.16902 62.65363       30.71689 
1 1 1 5   26 20 f 414.9476 11.41206 5087.953       277.4566 5466.449       357.3603 4513.523       440.2444 429.2180 14.21600 387.9800 19.40954 41.23801       24.05878 
1 1 1 5   26 21 o 320.3684 12.20350 3039.756       228.8706 3057.024       272.4074 2998.310       422.0277 320.6203 14.52468 314.2213 23.06166 6.399017       27.25448 
1 1 1 5   26 22 o 180.1542 18.89670 982.4472       196.6874 901.5062       224.8486 1246.224       405.9047 171.2141 22.97145 195.7096 36.71222 -24.49544      43.30675 
1 1 1 5   26 23 o 90.33517 29.19233 249.4424       176.2393 241.9690       194.7916 283.1644       413.7805 90.37550 30.74162 109.5038 43.37578 -19.12830      53.16489 
1 1 1 5   26 24 o 101.4064 28.96560 329.0881       180.8195 363.2585       206.1964 215.3324       376.2205 106.2541 31.10792 101.4539 40.96067 4.800232       51.43422 
1 1 1 5   26 25 o 171.0185 20.78722 898.3298       204.2157 1142.640       232.9744 87.96893       424.3039 193.0944 20.90558 97.02110 41.62130 96.07333       46.57656 
1 1 1 5   26 26 o 391.4719 11.57741 4548.038       265.5126 4803.256       327.4912 4058.504       453.5603 401.2487 13.93784 364.6247 21.30268 36.62399       25.45717 
1 1 1 5   26 27 o 318.0460 11.59110 3006.061       215.8431 2999.642       253.2479 3023.104       412.6594 316.8924 13.65854 313.2166 22.61679 3.675751       26.42111 
1 1 1 5   26 28 o 114.1754 26.38408 423.5060       173.1246 457.4412       191.7830 274.1204       402.3830 118.1308 28.09415 104.8831 42.35532 13.24767       50.82573 
1 1 1 5   26 29 o 120.2250 23.18221 462.6737       157.5311 410.3164       176.1136 672.2413       352.3434 111.5936 27.16793 136.3869 40.85321 -24.79332      49.06201 
1 1 1 5   26 30 o 113.4013 26.10308 425.9776       170.0049 526.3457       190.8118 39.58892       374.3859 126.0856 26.63988 85.79115 37.90073 40.29442       46.32655 
1 1 1 5   26 31 o 45.46038 19.95682 -13.76813      102.2838 2.808871       107.2351 -180.9453      340.5435 48.29846 20.82420 70.89667 33.11784 -22.59821      39.12082 
1 1 1 5   26 32 o 90.64796 20.22190 266.9366       104.7705 261.5677       108.8136 335.1834       387.9552 89.40417 21.09552 101.6417 41.38984 -12.23753      46.45578 
1 1 1 5   26 33 o 62.65482 22.94347 111.3089       110.1038 85.59311       114.6586 415.8253       394.5592 59.41721 23.03945 105.9568 42.23094 -46.53954      48.10685 
1 1 1 5   26 34 o 45.73585 20.40037 -25.37416      111.1064 19.90990       115.6906 -563.0587      398.6475 51.23766 21.85059 62.81430 30.89872 -11.57664      37.84414 
1 1 1 5   26 35 o 104.7177 20.16676 360.3386       119.3601 398.5097       126.2756 40.19841       365.6976 110.1851 20.28830 79.67969 36.14380 30.50546       41.44864 
1 1 1 5   26 36 o 178.1128 11.79271 965.9703       122.4919 986.6998       129.2358 782.7556       384.2096 179.7108 12.33675 130.3304 43.16273 49.38039       44.89116 
1 1 1 5   26 37 o 89.31337 22.06037 272.9928       114.8633 334.6754       120.3238 -360.6973      385.6635 99.59113 21.24859 64.94136 31.61104 34.64977       38.08885 
1 1 1 5   26 38 o 143.5314 15.31097 650.1575       126.8966 655.3094       133.7397 603.6429       401.8537 143.5340 16.16844 110.1962 43.01833 33.33785       45.95645 
1 1 1 5   26 39 o 151.6789 14.98581 726.2347       131.5678 754.6172       138.5784 466.8200       418.9551 154.2395 15.53091 98.88336 41.85172 55.35612       44.64051 
1 1 1 5   26 40 o 188.1161 12.00397 1088.854       131.7437 1111.041       138.1775 867.1187       436.8314 189.6634 12.49189 123.8680 45.64259 65.79541       47.32117 
1 1 1 5   26 41 o 99.86520 23.08984 354.8052       132.5320 271.2517       138.4069 1276.810       459.7714 85.47356 25.60533 151.4454 46.93148 -65.97186      53.46211 
1 1 1 5   26 42 o 133.9798 19.42546 601.9953       148.1907 553.4284       155.2292 1101.406       497.7740 126.4922 21.70601 130.2248 48.58447 -3.732582      53.21279 
1 1 1 5   27 0  o 216.2641 8.263319 1377.715       104.6140 1377.715       104.6140 0.000000       0.000000 216.2641 8.263319 ?        ?        0.000000       8.263319 
1 1 1 5   27 1  o 387.5080 13.04634 4442.310       296.0739 4442.310       296.0739 0.000000       0.000000 387.5080 13.04634 ?        ?        0.000000       13.04634 
1 1 1 5   27 2  o 254.6769 7.779662 1908.982       116.0623 1908.982       116.0623 0.000000       0.000000 254.6769 7.779662 ?        ?        0.000000       7.779662 
1 1 1 5   27 3  f 384.5683 9.605388 4355.259       216.6401 4610.875       305.1451 4095.478       307.6208 394.7347 13.19963 371.7439 14.13557 22.99088       19.34023 
1 1 1 5   27 4  o 272.7256 8.164604 2189.828       130.4434 2190.560       148.9664 2187.420       270.1064 272.6048 9.331360 270.7586 17.09722 1.846222       19.47791 
1 1 1 5   27 5  o 131.4493 8.559438 510.5682       65.62749 501.7254       72.56742 550.2797       153.7814 130.1761 9.572104 134.3100 20.14338 -4.133881      22.30203 
1 1 1 5   27 6  o 193.7320 6.919163 1104.502       78.48877 1150.800       91.35211 973.9500       153.4010 197.6514 7.896657 180.7573 14.59443 16.89407       16.59381 
1 1 1 5   27 7  o 141.2834 8.233090 589.2251       67.92331 583.9618       69.95796 675.7819       283.6995 140.6155 8.523102 145.1238 33.94129 -4.508331      34.99506 
1 1 1 5   27 8  o 309.8577 10.78479 2834.831       195.6870 3102.228       243.7390 2349.897       328.2374 323.6985 12.86470 279.6358 20.14961 44.06277       23.90622 
1 1 1 5   27 9  o 102.6452 25.02515 330.8339       149.2659 255.9578       167.8582 613.7794       326.3038 91.50246 28.35753 137.4661 38.79272 -45.96362      48.05231 
1 1 1 5   27 10 o 72.87712 12.29577 161.1372       50.68482 498.3008       174.0787 129.9068       52.98023 126.5151 24.34494 64.98303 14.29108 61.53207       28.22962 
1 1 1 5   27 11 o 481.0808 11.10788 6828.945       313.4007 6726.406       396.8601 6998.846       510.8468 476.3084 14.22281 484.2720 18.01809 -7.963593      22.95517 
1 1 1 5   27 12 o 420.8701 11.21467 5230.802       276.5655 5238.643       344.9641 5216.695       462.7189 420.3619 14.01224 417.6081 18.94218 2.753845       23.56160 
1 1 1 5   27 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   27 14 o 399.4341 11.10987 4710.894       260.0056 4493.685       315.2444 5173.000       459.8110 389.3739 13.82675 415.9183 18.89980 -26.54443      23.41754 
1 1 1 5   27 15 o 249.4077 14.15177 1847.895       206.1510 1748.403       241.6887 2113.567       394.9443 241.8431 17.15138 262.9751 25.94535 -21.13202      31.10195 
1 1 1 5   27 16 o 347.4867 11.90847 3569.757       242.3273 3536.152       302.0617 3630.441       405.9111 345.0362 14.96284 347.8933 19.97857 -2.857147      24.96057 
1 1 1 5   27 17 o 148.6328 22.53119 678.2046       190.2535 641.3923       217.5794 797.7687       392.1226 143.1795 26.89852 155.3558 42.02819 -12.17632      49.89889 
1 1 1 5   27 18 o 135.6849 23.72425 570.5635       181.9178 647.1050       207.2899 314.0500       379.4763 144.1879 25.44289 110.9525 42.19508 33.23537       49.27236 
1 1 1 5   27 19 o 76.61611 27.80000 152.7554       161.1182 99.67165       184.0106 327.1683       333.5425 73.18547 28.94592 108.7674 39.91616 -35.58189      49.30685 
1 1 1 5   27 20 o 87.91100 29.70697 226.8026       181.8775 298.1857       208.4845 -0.5455186     372.0674 98.52525 31.74305 88.39476 38.44771 10.13049       49.85828 
1 1 1 5   27 21 o 73.66133 29.25550 100.7551       188.7017 165.5930       216.9506 -100.7217      382.4359 83.61797 31.87935 83.92873 37.61242 -0.3107605     49.30503 
1 1 1 5   27 22 o 257.7052 14.41311 1981.862       216.9689 1956.573       249.7161 2059.761       438.2734 255.2693 16.77298 255.7641 29.77435 -0.4947815     34.17374 
1 1 1 5   27 23 o 64.75532 27.64575 14.72942       185.5581 87.74596       213.3478 -212.0614      376.0021 75.17262 30.66261 77.36116 35.67209 -2.188538      47.03928 
1 1 1 5   27 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   27 25 o 76.83188 29.32738 141.8770       183.7482 141.2754       206.5078 144.1640       402.6266 79.20316 30.86137 97.94145 41.21778 -18.73829      51.49107 
1 1 1 5   27 26 o 112.1817 27.83404 409.8967       182.2468 330.2379       202.0089 758.3151       422.4780 100.9597 31.07779 145.4715 44.97229 -44.51180      54.66567 
1 1 1 5   27 27 o 252.2032 14.07352 1908.789       207.3376 2065.686       246.5158 1529.464       383.3031 261.4592 16.15536 216.3136 31.10745 45.14568       35.05238 
1 1 1 5   27 28 o 101.8010 27.43963 342.2767       167.5137 413.4647       186.2397 40.72368       383.3104 111.5023 28.40469 87.86781 38.60149 23.63448       47.92599 
1 1 1 5   27 29 o 56.74457 25.12082 -25.66057      165.3017 39.56138       191.4962 -216.3459      327.4325 66.12276 28.15248 68.71841 32.22092 -2.595642      42.78727 
1 1 1 5   27 30 o 78.87157 27.50705 194.7048       156.2873 279.8793       172.8488 -186.9607      365.8920 91.17970 28.85245 73.22781 34.24648 17.95190       44.78040 
1 1 1 5   27 31 o 63.29599 25.80243 76.08593       150.9630 179.0364       168.5520 -341.3948      339.4204 77.05610 28.35896 64.05364 30.80515 13.00246       41.87109 
1 1 1 5   27 32 o 58.99416 26.19042 -14.88631      180.9332 85.15645       205.2649 -363.4146      383.1254 70.17602 29.47525 67.34844 32.47517 2.827576       43.85690 
1 1 1 5   27 33 o 101.9740 21.12256 342.5311       122.1655 385.6883       128.9013 -38.33082      382.9261 108.4101 21.03284 78.61895 36.16029 29.79116       41.83237 
1 1 1 5   27 34 o 43.53135 20.19529 -80.10204      123.2451 -17.71324      130.0578 -629.2504      385.8583 49.88698 22.17286 59.37587 29.42569 -9.488895      36.84436 
1 1 1 5   27 35 o 110.1135 19.62258 397.6317       122.0733 396.6178       129.0983 406.1943       375.1758 109.2148 20.91664 100.2071 40.74083 9.007698       45.79652 
1 1 1 5   27 36 o 52.19852 21.92555 37.99984       113.5893 -0.5611873     119.8195 380.1424       356.9084 49.18633 21.59596 96.98258 39.62109 -47.79626      45.12445 
1 1 1 5   27 37 o 231.6649 9.574937 1617.134       129.8104 1645.309       138.2457 1407.165       377.3969 233.3076 10.12764 187.3188 35.65523 45.98874       37.06568 
1 1 1 5   27 38 o 135.1421 16.90665 588.2302       131.0743 616.9366       137.8309 316.7793       423.8409 138.0777 17.40651 90.96172 40.24902 47.11598       43.85169 
1 1 1 5   27 39 o 175.2191 13.64815 957.8699       139.1455 987.9572       146.0087 660.2150       459.2447 177.5798 14.13617 108.2557 44.66223 69.32409       46.84598 
1 1 1 5   27 40 o 126.6202 18.07012 528.1569       130.3861 511.4422       135.9099 721.3336       462.0406 123.5895 19.38809 109.7502 44.98685 13.83934       48.98688 
1 1 1 5   27 41 o 82.81989 25.04625 253.2555       131.9726 254.5803       137.3374 237.2850       476.8404 82.70611 25.65336 85.40937 39.65802 -2.703262      47.23191 
1 1 1 5   28 0  o 164.5340 22.60754 827.7491       212.3905 827.7491       212.3905 0.000000       0.000000 164.5340 22.60754 ?        ?        0.000000       22.60754 
1 1 1 5   28 1  o 527.4299 10.31008 8200.179       318.9168 8291.165       430.3423 8089.334       474.9885 529.0502 13.88168 521.9027 15.53555 7.147461       20.83397 
1 1 1 5   28 2  f 194.5085 8.705875 1115.790       99.06030 1115.790       99.06030 0.000000       0.000000 194.5085 8.705875 ?        ?        0.000000       8.705875 
1 1 1 5   28 3  f 233.0117 8.593608 1600.120       117.2355 1721.244       134.5730 1218.795       238.7753 241.5473 9.518226 200.7863 20.56739 40.76100       22.66305 
1 1 1 5   28 4  o 110.5989 10.91050 364.2684       69.84873 371.1809       76.72060 330.7844       168.8541 111.4907 11.91802 102.5033 27.51443 8.987381       29.98472 
1 1 1 5   28 5  o 405.7656 10.24782 4856.695       243.6742 5009.017       331.6915 4678.101       359.1601 411.1101 13.77652 396.7348 15.46572 14.37534       20.71185 
1 1 1 5   28 6  o 96.52562 11.87415 279.2151       65.80467 316.8212       67.91891 -296.7659      265.8068 102.9832 11.43808 59.73243 28.31683 43.25076       30.53968 
1 1 1 5   28 7  o 248.3532 11.70177 1825.170       169.9609 1877.899       203.2740 1702.667       309.8361 251.4752 13.83608 236.9396 22.56915 14.53554       26.47270 
1 1 1 5   28 8  f 77.33135 12.79130 181.3905       55.98603 190.3710       56.96026 -74.42697      304.0084 79.28761 12.67619 76.48517 33.95261 2.802437       36.24176 
1 1 1 5   28 9  o 202.7811 14.29919 1224.155       168.9646 1348.096       197.8340 890.0034       324.8361 212.4597 15.99464 166.6207 34.38273 45.83899       37.92098 
1 1 1 5   28 10 o 168.6046 17.02514 853.9796       166.0454 867.3862       195.1734 818.8486       315.9418 169.1677 20.06234 159.5711 34.74699 9.596588       40.12295 
1 1 1 5   28 11 o 493.6401 8.559314 7171.976       247.7992 6471.363       387.4261 7657.019       322.3593 467.2160 14.15539 509.5093 10.78792 -42.29333      17.79759 
1 1 1 5   28 12 o 369.2935 9.171756 4015.911       198.6437 4024.169       320.2555 4010.747       253.2456 368.1336 14.86396 368.3825 11.73673 -0.2489014     18.93906 
1 1 1 5   28 13 f 423.5795 11.67040 5300.856       289.6390 5400.008       368.2352 5139.986       469.0405 426.5813 14.74097 414.3982 19.35277 12.18314       24.32747 
1 1 1 5   28 14 o 319.6292 12.59466 3024.124       235.6310 2908.440       282.5848 3288.096       426.8651 312.7039 15.45656 330.1360 22.17551 -17.43213      27.03070 
1 1 1 5   28 15 o 309.0749 13.37505 2831.945       241.8692 2990.175       287.6357 2449.973       446.9042 317.0197 15.51771 282.5549 27.30871 34.46478       31.40963 
1 1 1 5   28 16 o 211.7757 16.48709 1341.677       203.1597 1149.740       232.4628 1962.275       418.0029 194.8146 20.66071 251.8074 28.82360 -56.99283      35.46357 
1 1 1 5   28 17 o 86.47498 29.80405 213.7328       183.2341 66.66745       208.6801 708.8557       382.8973 73.34011 30.16634 146.2225 42.27077 -72.88239      51.93098 
1 1 1 5   28 18 o 192.4635 17.23341 1113.554       192.4662 1038.957       220.4197 1352.977       394.8859 184.8500 20.68635 205.7804 33.89970 -20.93037      39.71290 
1 1 1 5   28 19 o 58.72371 26.24149 -63.60520      184.7257 -62.42723      209.8130 -67.66631      389.5719 63.06472 28.08805 86.49171 38.41244 -23.42699      47.58628 
1 1 1 5   28 20 o 233.1421 14.87455 1624.141       202.3224 1541.874       241.1962 1819.461       371.6465 226.0377 18.35220 242.0868 26.61478 -16.04910      32.32877 
1 1 1 5   28 21 o 62.32908 27.11767 -14.29342      185.1962 -148.1078      216.3992 351.9601       358.0100 58.51918 27.01181 110.7671 41.22691 -52.24790      49.28788 
1 1 1 5   28 22 o 192.5554 18.17440 1124.323       202.8139 1282.806       241.8348 748.6007       372.3570 204.9460 20.39024 147.5989 41.36520 57.34718       46.11770 
1 1 1 5   28 23 o 265.2216 14.09174 2102.065       218.4050 2317.112       254.3136 1497.756       426.3161 277.8889 15.66789 213.3217 35.31001 64.56725       38.63004 
1 1 1 5   28 24 o 161.5025 21.52816 807.8013       198.8351 914.6478       226.5533 449.5434       414.8470 171.3371 23.13668 119.7740 44.41693 51.56307       50.08163 
1 1 1 5   28 25 o 110.9384 28.43698 402.8899       185.8621 369.1205       207.6983 538.6326       416.4176 105.9646 31.27437 125.9513 44.81655 -19.98667      54.64988 
1 1 1 5   28 26 o 172.5630 20.24493 921.8287       200.9955 1005.643       228.4211 634.3170       423.0627 179.4171 22.17991 132.6893 45.30146 46.72783       50.43978 
1 1 1 5   28 27 o 168.5286 18.29087 875.5764       177.8878 833.0391       195.5128 1080.106       428.7150 163.1430 20.91459 170.7894 42.87175 -7.646347      47.70123 
1 1 1 5   28 28 o 50.42662 23.55711 -134.8064      172.3450 -118.2143      194.3632 -195.8436      372.7874 55.19604 25.52097 74.38621 34.71568 -19.19016      43.08710 
1 1 1 5   28 29 o 115.3025 24.96390 442.0628       163.9109 514.4340       187.4213 206.6643       338.0164 123.6898 26.62545 91.55353 38.09250 32.13627       46.47529 
1 1 1 5   28 30 o 89.90181 27.61827 275.1687       159.6363 380.1567       177.5947 -166.6141      364.3045 104.7275 28.26392 73.03259 34.16069 31.69495       44.33736 
1 1 1 5   28 31 o 109.9777 28.29342 423.4464       183.5321 322.2456       206.3984 805.7643       401.1685 95.38667 31.63735 137.6122 44.00308 -42.22548      54.19587 
1 1 1 5   28 32 o 78.31438 28.27952 197.3970       166.4663 230.2304       184.8827 56.78510       382.6046 83.14002 29.83062 82.91711 37.35127 0.2229080      47.80150 
1 1 1 5   28 33 f 163.6595 18.66384 855.8148       175.9420 988.7010       200.2945 406.8474       368.1599 175.1082 19.85341 101.7709 40.71630 73.33726       45.29873 
1 1 1 5   28 34 o 61.05705 26.96628 13.38245       189.3996 117.4619       216.1824 -330.3242      392.8546 72.17101 30.27696 67.09144 32.48104 5.079567       44.40397 
1 1 1 5   28 35 o 45.40084 20.75716 -52.04045      123.6503 -71.04717      132.8998 70.42294       337.3446 45.74275 21.13355 77.51311 34.98067 -31.77036      40.86899 
1 1 1 5   28 36 o 154.6601 14.70879 749.5665       131.8111 780.6719       140.3033 515.6997       384.7109 157.3854 15.39708 104.7330 41.71461 52.65244       44.46548 
1 1 1 5   28 37 o 42.62721 19.66912 -59.78999      114.5913 -56.19971      119.3444 -102.1891      410.1250 43.85887 20.17792 73.24049 34.85052 -29.38163      40.27042 
1 1 1 5   28 38 o 130.3486 17.09727 550.4871       127.5545 559.6308       133.6484 457.0260       427.2873 130.8816 17.87830 97.35508 41.76602 33.52653       45.43164 
1 1 1 5   28 39 o 72.53176 24.49846 186.3657       123.6912 163.6872       128.6021 466.4095       451.9118 69.14149 24.87049 96.08421 42.07077 -26.94272      48.87219 
1 1 1 5   28 40 o 51.42276 22.36298 22.68213       125.8328 72.97830       130.5194 -640.1909      473.8301 57.32974 23.74584 62.51367 31.24132 -5.183929      39.24137 
1 1 1 5   28 41 o 59.66604 24.34576 92.01862       134.5534 134.9929       139.5490 -476.1754      507.4241 65.20375 25.37994 66.98790 33.29133 -1.784149      41.86232 
1 1 1 5   29 0  o 283.6613 11.98095 2381.045       198.8669 2280.322       274.0483 2493.082       289.0301 276.3191 16.99306 288.9237 17.13420 -12.60458      24.13182 
1 1 1 5   29 1  o 247.0096 8.778762 1798.477       126.9716 1798.477       126.9716 0.000000       0.000000 247.0096 8.778762 ?        ?        0.000000       8.778762 
1 1 1 5   29 2  o 390.6773 8.893266 4493.836       203.7652 4169.195       238.6157 5368.131       391.5851 375.7794 10.83851 424.8840 15.74189 -49.10468      19.11230 
1 1 1 5   29 3  o 208.6675 9.033055 1284.532       110.2834 1333.169       122.7656 1081.182       251.0249 212.4649 9.879378 188.1247 23.24606 24.34018       25.25830 
1 1 1 5   29 4  o 151.3169 8.868599 676.4064       78.35828 622.4076       87.34258 899.1188       177.3807 144.9305 10.34380 172.8544 17.74937 -27.92392      20.54347 
1 1 1 5   29 5  o 206.8026 7.703325 1259.622       93.26637 1341.034       102.9968 888.7973       219.8182 213.3229 8.248116 170.5499 22.52697 42.77295       23.98949 
1 1 1 5   29 6  o 209.1100 7.776529 1287.946       95.20374 1324.523       100.7846 984.8468       290.1226 212.0206 8.120249 177.5594 28.84978 34.46114       29.97079 
1 1 1 5   29 7  o 163.7092 8.406489 790.7682       80.44175 828.7681       83.18370 242.7016       315.9106 167.5963 8.490641 100.5485 38.43606 67.04784       39.36269 
1 1 1 5   29 8  o 66.00092 27.01919 53.68839       166.3994 112.0250       192.4580 -119.0434      331.1703 75.75228 29.71223 77.58167 34.86569 -1.829384      45.80866 
1 1 1 5   29 9  o 200.3915 7.871592 1183.014       92.33084 1225.839       95.56892 582.9669       357.7311 203.9760 8.004440 134.3955 41.35398 69.58054       42.12152 
1 1 1 5   29 10 o 87.94350 30.01180 222.2216       185.6760 144.3261       218.0317 427.8134       354.2145 82.13765 31.79230 119.4730 41.42611 -37.33531      52.21947 
1 1 1 5   29 11 o 438.6945 8.532312 5664.009       219.5227 5330.204       367.0497 5849.900       273.9099 423.7828 14.79099 445.4232 10.48539 -21.64035      18.13055 
1 1 1 5   29 12 o 283.9165 8.963547 2375.741       149.0653 2373.732       278.6698 2376.546       176.4286 281.9827 16.92861 283.6756 10.62342 -1.692932      19.98587 
1 1 1 5   29 13 o 371.6941 11.91751 4085.144       259.4539 3875.109       315.6834 4522.340       455.4536 361.1457 14.93679 388.1964 20.07334 -27.05072      25.02092 
1 1 1 5   29 14 o 293.0653 12.72573 2545.020       218.2034 2257.094       255.0817 3330.452       421.3022 275.1487 15.87483 332.1745 21.74560 -57.02588      26.92362 
1 1 1 5   29 15 o 222.1880 15.59339 1474.234       201.9043 1245.750       228.2965 2294.588       432.5847 203.1199 19.39986 272.8602 27.40271 -69.74033      33.57474 
1 1 1 5   29 16 o 354.9762 11.70380 3728.927       243.3227 3843.602       294.1290 3480.286       433.1036 359.7093 13.96889 339.0837 21.89587 20.62555       25.97228 
1 1 1 5   29 17 o 54.91345 25.07726 -105.7913      179.7954 -61.70494      204.2888 -257.2819      378.6914 62.21257 27.71171 76.44818 35.44348 -14.23561      44.99088 
1 1 1 5   29 18 o 171.1458 19.83496 892.2328       195.4075 924.3763       225.0528 793.7650       393.8990 173.2748 22.69086 152.8731 42.43541 20.40169       48.12109 
1 1 1 5   29 19 o 306.8123 13.03848 2799.212       234.0772 2846.046       277.5299 2683.782       435.7046 308.5379 15.38591 294.7423 25.45493 13.79556       29.74357 
1 1 1 5   29 20 o 267.2890 13.93819 2131.671       217.7383 2209.906       251.7070 1899.072       434.0088 271.4741 15.87876 244.1400 31.01034 27.33415       34.83929 
1 1 1 5   29 21 o 386.0721 11.98194 4425.639       270.9692 4436.820       328.7816 4401.960       478.4442 385.4196 14.57156 379.8207 21.56704 5.598846       26.02820 
1 1 1 5   29 22 o 321.9948 12.48596 3085.006       235.3409 3034.762       275.8782 3219.287       451.0077 318.4207 14.81349 322.7741 23.99677 -4.353485      28.20079 
1 1 1 5   29 23 o 131.0540 26.54896 552.0065       197.0539 583.1611       222.6178 439.2464       423.5226 133.7092 29.20807 118.8791 44.71863 14.83011       53.41224 
1 1 1 5   29 24 o 181.7204 18.62990 1011.109       195.7398 1008.690       219.8664 1020.349       429.7829 180.4093 21.18328 168.4044 43.28212 12.00484       48.18790 
1 1 1 5   29 25 o 62.58202 27.45353 -16.15804      193.2505 18.74886       218.1408 -143.4695      416.5960 68.85945 29.69509 82.63673 37.90061 -13.77728      48.14825 
1 1 1 5   29 26 o 49.17042 22.92738 -127.3150      162.0229 -102.3607      180.3838 -231.5137      368.6003 54.06452 24.84898 73.16276 34.26681 -19.09824      42.32831 
1 1 1 5   29 27 o 173.0315 16.74463 921.3259       167.8016 841.6484       184.6216 1299.803       402.3780 163.9118 19.59293 190.1745 37.41044 -26.26265      42.23061 
1 1 1 5   29 28 o 165.8125 19.26918 864.8731       183.8972 840.5470       208.3999 950.4575       390.8933 161.4398 22.63158 155.6760 41.89670 5.763870       47.61851 
1 1 1 5   29 29 o 56.74809 25.18887 -19.72425      167.2862 6.072978       185.9922 -128.9677      382.7419 61.56562 26.97242 76.12119 35.40814 -14.55557      44.51121 
1 1 1 5   29 30 o 40.74857 20.16398 -362.0551      178.6908 -247.3054      199.8206 -820.1797      399.2603 48.67468 23.46635 57.59315 28.76633 -8.918468      37.12373 
1 1 1 5   29 31 o 64.58122 27.37705 60.03919       179.7497 38.79467       204.1832 133.2108       378.9377 65.74241 28.53945 86.42388 38.15755 -20.68147      47.64975 
1 1 1 5   29 32 f 151.0173 19.17025 733.5417       165.9665 702.7339       186.0774 853.4014       367.0284 145.4245 22.54700 140.7850 41.57993 4.639435       47.29966 
1 1 1 5   29 33 o 66.74345 26.35695 119.5249       152.3498 156.6517       168.6652 -45.00691      355.0639 72.30810 27.96926 74.07203 34.33425 -1.763931      44.28453 
1 1 1 5   29 34 o 63.09240 26.61854 71.94231       168.5946 46.58165       185.4899 192.4390       404.3222 62.79691 27.23157 87.08762 38.87602 -24.29071      47.46476 
1 1 1 5   29 35 o 47.31110 22.25994 -114.2609      158.6318 -159.9663      176.8863 73.52342       358.5424 47.82473 22.79349 77.97459 35.53336 -30.14986      42.21567 
1 1 1 5   29 36 f 62.26183 23.00010 119.5472       111.0456 136.6868       115.5244 -88.72690      402.7082 65.16786 23.55488 73.26058 34.76620 -8.092720      41.99430 
1 1 1 5   29 37 o 68.65681 28.74666 121.2272       194.3021 247.2210       220.7603 -311.9147      409.3187 81.72826 31.89044 66.28304 32.33106 15.44523       45.41253 
1 1 1 5   29 38 o 51.84155 22.91046 7.249305       136.9158 10.55231       144.1170 -23.34582      438.6182 53.18656 23.50504 75.84827 36.07701 -22.66171      43.05854 
1 1 1 5   29 39 o 72.47160 25.13495 187.6279       130.4025 207.9673       135.7993 -53.11973      467.2071 75.51289 25.66818 75.53494 36.27890 -0.2204895E-01 44.44113 
1 1 1 5   29 40 o 52.21350 22.16135 42.84954       118.0290 29.12884       121.8329 252.3429       476.0598 51.31289 22.16051 85.05003 39.53699 -33.73714      45.32397 
1 1 1 5   30 0  o 96.14801 33.97551 259.3699       238.9639 259.3699       238.9639 0.000000       0.000000 96.14801 33.97551 ?        ?        0.000000       33.97551 
1 1 1 5   30 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   30 2  o 209.5923 10.03057 1297.657       122.9388 1274.955       134.4514 1413.454       303.6487 207.5782 11.08436 215.0338 24.51502 -7.455521      26.90445 
1 1 1 5   30 3  o 184.5369 9.435339 1005.674       101.7764 897.7227       109.6208 1679.988       273.9749 174.1285 10.78724 236.1920 19.96540 -62.06346      22.69321 
1 1 1 5   30 4  o 403.8814 14.80811 4842.585       350.1613 4842.585       350.1613 0.000000       0.000000 403.8814 14.80811 ?        ?        0.000000       14.80811 
1 1 1 5   30 5  o 244.1038 9.003414 1756.808       128.6730 1678.683       138.0911 2271.655       354.4944 238.4717 9.895163 274.0978 22.24326 -35.62613      24.34496 
1 1 1 5   30 6  o 43.40420 21.16558 -311.4152      175.0804 -143.4520      202.2125 -814.3682      349.9166 56.85313 26.19558 55.75005 27.69617 1.103073       38.12199 
1 1 1 5   30 7  o 366.7201 7.980115 3956.219       171.6305 4093.912       189.4854 3327.156       405.0125 372.9408 8.663337 332.6044 20.86816 40.33640       22.59499 
1 1 1 5   30 8  o 308.9079 12.50657 2824.891       226.1097 2581.008       265.9195 3461.450       429.6142 294.5100 15.44974 338.8933 21.72999 -44.38336      26.66246 
1 1 1 5   30 9  f 355.8205 7.981625 3724.786       166.5608 3787.577       180.3873 3361.654       433.8006 358.7169 8.574396 333.6637 22.29616 25.05322       23.88805 
1 1 1 5   30 10 o 210.4882 17.30623 1327.881       211.7537 1237.271       246.7016 1581.467       412.7088 202.0539 21.13081 224.3150 32.30141 -22.26106      38.59912 
1 1 1 5   30 11 o 340.0871 9.185616 3409.298       183.0422 3088.598       285.0273 3634.387       238.7888 322.2379 15.12421 350.5984 11.62934 -28.36057      19.07835 
1 1 1 5   30 12 o 261.6138 13.70291 2033.130       209.5112 1802.686       246.3867 2634.820       398.1267 245.3657 17.23150 294.5674 23.23347 -49.20168      28.92609 
1 1 1 5   30 13 o 410.4949 10.67339 4977.090       256.7391 5111.431       358.9694 4836.408       367.3431 414.6373 14.78544 403.0126 15.57115 11.62469       21.47254 
1 1 1 5   30 14 o 278.2251 13.66168 2300.844       222.2394 2092.894       258.0610 2897.801       437.2344 264.4284 16.72611 308.0055 24.40435 -43.57709      29.58606 
1 1 1 5   30 15 o 286.1667 13.02901 2431.969       218.0922 2508.058       259.6318 2249.593       401.9561 289.9252 15.32380 270.3501 25.65854 19.57507       29.88611 
1 1 1 5   30 16 o 180.8889 19.01826 992.8392       198.7447 932.2212       226.2386 1197.759       415.9660 173.9859 22.71365 190.0830 38.63189 -16.09708      44.81442 
1 1 1 5   30 17 o 61.43461 27.10578 -38.27511      190.9075 -94.45868      216.7730 155.9087       403.0019 61.82166 27.95673 99.77483 41.55970 -37.95317      50.08780 
1 1 1 5   30 18 o 190.6468 19.97852 1109.019       220.0658 996.6965       249.4062 1503.929       467.6511 178.9302 24.40215 212.1414 39.02534 -33.21117      46.02654 
1 1 1 5   30 19 o 144.2741 24.35165 654.2493       198.7204 570.6176       228.5501 913.3707       402.2977 132.4246 30.11140 162.4081 41.94469 -29.98352      51.63384 
1 1 1 5   30 20 o 181.2549 18.64784 1000.895       195.4047 873.4286       224.3799 1401.037       397.5506 167.3551 23.50817 206.8793 33.94215 -39.52426      41.28806 
1 1 1 5   30 21 o 317.7838 12.68770 3007.968       235.9889 3317.111       285.3031 2338.254       419.9245 332.8892 14.64944 272.9563 26.56755 59.93292       30.33877 
1 1 1 5   30 22 o 218.1233 16.45294 1438.797       208.9210 1416.365       238.0280 1514.059       435.9964 215.3088 19.04643 212.2666 36.32807 3.042175       41.01823 
1 1 1 5   30 23 o 161.4515 20.87595 810.5247       193.0465 820.6689       217.5568 772.9605       418.6478 161.1898 23.72238 145.1813 44.74805 16.00851       50.64720 
1 1 1 5   30 24 o 44.73562 21.80570 -306.9678      185.2829 -277.2500      209.1810 -415.1904      399.1832 50.10539 24.11906 70.40672 33.74154 -20.30132      41.47554 
1 1 1 5   30 25 o 86.34378 28.99469 238.7298       173.2674 377.1792       191.8252 -374.7445      403.7925 105.4577 29.73775 71.39934 34.14145 34.05839       45.27662 
1 1 1 5   30 26 o 143.3104 20.27580 650.1977       165.6604 590.4484       185.5883 884.4556       367.4778 134.2809 24.46716 152.6391 40.41818 -18.35812      47.24692 
1 1 1 5   30 27 o 70.90040 28.17652 119.4820       175.1438 69.79482       198.9442 290.6715       369.2729 68.76545 28.95830 98.28963 40.24540 -29.52419      49.58101 
1 1 1 5   30 28 o 129.6185 23.56553 555.0134       172.5440 598.3116       192.4397 377.4972       389.6533 133.4601 25.51596 103.7376 41.75509 29.72252       48.93415 
1 1 1 5   30 29 o 59.30575 26.39107 -16.57162      184.8170 -79.86833      207.5097 226.2749       406.4562 58.35862 26.75948 93.81905 40.49695 -35.46043      48.53939 
1 1 1 5   30 30 o 78.57432 28.90269 197.7701       175.0398 205.1134       196.5066 169.5614       385.1441 80.48226 30.41979 88.47183 38.78546 -7.989571      49.29174 
1 1 1 5   30 31 o 44.87481 21.46397 -172.9371      159.8300 -54.03215      178.5866 -651.4682      358.2645 55.03102 25.07787 55.97424 27.84370 -0.9432182     37.47227 
1 1 1 5   30 32 o 133.8399 20.91421 591.6037       158.7955 590.1860       181.5417 596.2216       327.6466 131.0442 24.52269 116.9613 39.86831 14.08292       46.80646 
1 1 1 5   30 33 o 134.9364 23.54489 622.4296       179.5536 711.1239       200.2878 259.3558       405.2324 143.4191 24.70344 90.39462 39.70146 53.02451       46.75966 
1 1 1 5   30 34 o 77.94810 28.07808 213.0359       163.9813 150.8516       173.6042 727.7672       499.4710 70.98915 28.10341 114.2671 46.79860 -43.27792      54.58856 
1 1 1 5   30 35 o 45.19566 21.63416 -162.7293      163.0564 -26.91710      177.8807 -877.1649      407.9821 55.53737 25.19862 54.71906 27.56910 0.8183060      37.35004 
1 1 1 5   30 36 o 65.14595 27.84306 86.57400       188.5872 216.4287       213.2416 -379.5984      404.0326 78.51080 31.12596 64.11250 31.45048 14.39830       44.24881 
1 1 1 5   30 37 o 44.54074 21.91637 -312.9717      201.0490 -351.8841      229.2971 -183.5869      418.1156 47.14594 23.23823 69.78384 33.71761 -22.63790      40.94988 
1 1 1 5   30 38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   30 39 o 67.71419 28.76506 119.6992       199.1418 -45.05193      222.9111 770.9847       443.2034 58.68569 27.20305 111.8730 44.70202 -53.18732      52.32854 
1 1 1 5   31 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   31 1  o 395.7336 11.93520 4630.018       276.6856 5049.619       376.5583 4137.652       407.9038 412.1131 15.60813 371.8346 18.76565 40.27847       24.40827 
1 1 1 5   31 2  o 228.3972 9.958174 1540.376       133.0687 1540.376       133.0687 0.000000       0.000000 228.3972 9.958174 ?        ?        0.000000       9.958174 
1 1 1 5   31 3  o 310.3696 9.422318 2840.292       171.3106 2586.027       189.9768 3946.779       396.3054 295.8468 10.96821 363.1548 18.67015 -67.30804      21.65355 
1 1 1 5   31 4  o 224.8409 10.04704 1493.114       132.1496 1533.517       145.9886 1309.810       310.9577 227.7143 10.96367 206.1922 26.31327 21.52213       28.50597 
1 1 1 5   31 5  f 82.22326 18.51264 209.5476       87.11492 269.3208       94.77540 -116.0089      221.1849 93.55346 17.92603 61.71838 28.04086 31.83508       33.28111 
1 1 1 5   31 6  o 75.25955 18.96037 175.7332       83.63551 222.0504       85.69228 -754.5368      384.0388 84.78082 17.80200 61.43614 30.24162 23.34468       35.09226 
1 1 1 5   31 7  o 185.6456 8.956617 1017.303       97.22903 1062.127       100.6306 387.6994       377.1469 189.6847 9.072101 116.7137 42.50613 72.97099       43.46348 
1 1 1 5   31 8  o 254.3909 14.15572 1924.235       210.3623 1940.040       245.3487 1880.365       408.7497 254.8089 16.50676 246.2315 28.85152 8.577438       33.23979 
1 1 1 5   31 9  o 210.1967 7.834349 1301.862       96.40923 1321.471       99.23508 972.2033       406.8894 211.7536 8.005097 171.0683 41.07563 40.68527       41.84840 
1 1 1 5   31 10 o 313.1013 13.29901 2909.477       243.6489 3085.164       292.9102 2514.886       438.9725 321.7276 15.56994 285.9800 26.47329 35.74756       30.71251 
1 1 1 5   31 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   31 12 o 387.4803 9.074158 4425.381       206.2085 4072.259       320.2372 4675.513       269.5221 369.8492 14.79359 397.4787 11.57425 -27.62955      18.78333 
1 1 1 5   31 13 o 380.1453 11.83327 4280.501       263.4969 3805.249       306.6772 5620.741       515.0037 357.4343 14.66079 431.5178 20.40767 -74.08350      25.12791 
1 1 1 5   31 14 o 278.9379 13.57562 2316.202       221.4173 2214.365       255.7417 2621.034       442.4663 271.8922 16.11037 291.0617 26.20071 -19.16953      30.75746 
1 1 1 5   31 15 f 243.2375 14.87936 1769.525       211.2431 1980.009       249.7745 1240.772       395.8808 256.7179 16.68012 194.2402 36.07944 62.47771       39.74862 
1 1 1 5   31 16 o 227.9188 15.47946 1558.134       205.6845 1294.040       229.3083 2645.385       465.2704 206.3555 19.16664 290.8530 27.60658 -84.49745      33.60779 
1 1 1 5   31 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   31 18 o 161.0170 22.34381 805.0139       205.3201 753.0770       236.2539 965.3027       415.0425 153.6626 27.21139 166.2843 42.42647 -12.62166      50.40303 
1 1 1 5   31 19 o 136.7309 26.08975 597.0215       201.5813 527.3547       227.5959 850.5773       434.1982 126.5704 30.92790 154.2662 45.13496 -27.69581      54.71471 
1 1 1 5   31 20 o 67.64399 28.63696 35.38724       196.2336 95.78812       226.3331 -147.4800      393.8168 76.78962 31.48231 81.15871 37.08220 -4.369087      48.64386 
1 1 1 5   31 21 o 129.5627 26.55051 543.4883       194.9594 586.6517       220.0908 386.2038       420.1337 133.6873 28.91379 113.5422 44.08152 20.14507       52.71800 
1 1 1 5   31 22 o 52.66219 24.49235 -137.3152      183.0217 72.96798       204.6577 -977.0845      408.9836 71.53200 29.69098 57.80510 28.90877 13.72690       41.43997 
1 1 1 5   31 23 o 102.5395 29.47427 352.8229       186.6585 354.3427       210.6211 347.2606       402.9344 102.5054 31.76453 107.4589 42.72688 -4.953499      53.24070 
1 1 1 5   31 24 o 172.2180 18.49330 921.2908       183.8629 1007.348       207.4450 606.0259       397.0509 179.2935 20.07233 125.8639 43.84686 53.42961       48.22288 
1 1 1 5   31 25 o 108.3189 28.25667 402.1465       181.3546 289.8415       207.6157 763.7449       372.5408 92.79066 31.73373 139.3012 42.07126 -46.51052      52.69744 
1 1 1 5   31 26 o 41.82429 20.41141 -266.8698      163.7514 -146.1952      180.5164 -827.5137      389.0920 50.67828 23.81340 56.89548 28.41476 -6.217201      37.07393 
1 1 1 5   31 27 o 114.1258 26.07791 444.5950       170.7175 477.1169       189.9809 308.1821       389.0899 117.1261 28.03137 98.60741 40.93487 18.51867       49.61271 
1 1 1 5   31 28 o 81.66663 29.55532 217.4135       181.9514 180.0449       214.2774 314.0011       344.4952 79.36012 31.28323 96.67605 39.13664 -17.31593      50.10306 
1 1 1 5   31 29 o 66.95834 27.72812 90.32547       177.9154 142.6872       201.7032 -93.21807      377.6377 74.21389 29.98145 75.27181 35.06624 -1.057922      46.13598 
1 1 1 5   31 30 o 53.28582 24.27004 -52.02661      166.9926 -47.01736      187.2881 -71.45417      368.8359 56.66690 25.76817 74.43191 34.66833 -17.76500      43.19597 
1 1 1 5   31 31 o 43.76350 20.97496 -171.2726      154.3325 -204.8579      172.5292 -36.77637      345.2570 45.31364 21.83569 73.46062 33.98297 -28.14698      40.39355 
1 1 1 5   31 32 o 84.83318 29.10173 261.4902       174.6372 232.0126       200.1319 355.5822       357.5578 81.54829 30.72639 94.91450 39.30710 -13.36621      49.89148 
1 1 1 5   31 33 o 167.4296 18.52107 910.1672       178.8278 955.4171       195.9691 684.9253       437.2236 170.2458 20.00884 114.1655 44.78225 56.08028       49.04899 
1 1 1 5   31 34 o 111.5375 27.43579 461.4649       178.2100 564.7302       194.0485 -94.77231      450.3636 123.8251 27.44261 75.68877 36.15544 48.13631       45.39067 
1 1 1 5   31 35 o 81.84510 29.78922 251.6617       185.1964 318.9588       217.7049 75.43756       352.2919 89.18021 32.32138 75.96481 34.84520 13.21539       47.52746 
1 1 1 5   31 36 o 108.9422 30.12902 470.6345       198.9693 348.6028       232.6162 803.3197       384.0788 91.25674 33.35954 122.5926 43.09458 -31.33584      54.49772 
1 1 1 5   31 37 o 47.46226 22.88698 -192.8267      190.3323 -128.2060      216.8419 -409.7030      397.2497 53.95438 25.57719 61.85984 30.50900 -7.905464      39.81196 
1 1 1 5   31 38 o 59.93345 26.99723 15.76958       199.8690 111.5330       226.9723 -314.9063      421.7686 68.95009 30.00928 65.53064 32.14353 3.419449       43.97458 
1 1 1 5   32 0  o 383.0168 15.17429 4363.804       340.1861 4363.804       340.1861 0.000000       0.000000 383.0168 15.17429 ?        ?        0.000000       15.17429 
1 1 1 5   32 1  o 161.0785 12.32035 771.6684       115.5056 761.3064       121.4507 869.8030       373.7569 159.8467 13.06924 162.2654 39.62344 -2.418716      41.72316 
1 1 1 5   32 2  o 128.2720 15.31707 495.4836       112.9535 495.4836       112.9535 0.000000       0.000000 128.2720 15.31707 ?        ?        0.000000       15.31707 
1 1 1 5   32 3  o 245.9686 8.444376 1783.357       121.6335 1722.399       129.4094 2245.350       356.2619 241.6136 9.149117 271.9714 22.53768 -30.35776      24.32393 
1 1 1 5   32 4  o 182.2357 9.926805 982.2118       105.6941 979.9000       110.5376 1006.870       361.0117 181.9446 10.40241 176.0965 36.16724 5.848099       37.63349 
1 1 1 5   32 5  o 80.53694 31.13227 142.0351       208.8716 142.0351       208.8716 0.000000       0.000000 80.53694 31.13227 ?        ?        0.000000       31.13227 
1 1 1 5   32 6  o 242.1871 10.19768 1733.661       144.5207 1733.661       144.5207 0.000000       0.000000 242.1871 10.19768 ?        ?        0.000000       10.19768 
1 1 1 5   32 7  o 226.4291 8.303201 1511.757       110.0759 1540.922       114.2364 1133.093       411.6211 228.5700 8.536865 185.2893 39.10916 43.28072       40.03004 
1 1 1 5   32 8  o 197.0046 8.390433 1145.120       96.71985 1148.869       99.28130 1075.259       428.5591 197.2967 8.600858 179.0076 41.61343 18.28915       42.49297 
1 1 1 5   32 9  o 350.0961 7.770625 3608.051       159.5489 3594.611       168.9322 3719.056       485.4813 349.3587 8.244995 349.0929 23.85607 0.2657776      25.24068 
1 1 1 5   32 10 o 206.1853 18.10208 1282.862       216.6759 1401.572       250.4672 929.7963       431.9506 214.8923 20.10722 164.7775 43.90743 50.11475       48.29247 
1 1 1 5   32 11 o 188.2754 9.349551 1048.356       102.9139 1164.121       245.1179 1023.582       113.3923 194.9304 21.81467 185.8355 10.44615 9.094849       24.18682 
1 1 1 5   32 12 o 115.7810 10.56944 399.5232       70.97887 1059.751       236.9052 334.4129       74.39648 185.6028 22.20411 105.5271 12.24817 80.07561       25.35823 
1 1 1 5   32 13 o 375.0719 9.427411 4155.723       207.2112 4301.210       333.1958 4063.972       264.6022 379.4694 15.00130 369.9870 12.21102 9.482361       19.34291 
1 1 1 5   32 14 o 294.9071 13.38199 2591.481       230.8465 2534.053       270.2315 2746.554       444.0597 290.6610 15.91324 297.4354 25.70861 -6.774384      30.23514 
1 1 1 5   32 15 o 258.2803 14.27608 1994.627       215.4062 1760.407       248.4379 2703.939       432.3391 241.3438 17.67474 295.1432 25.21844 -53.79942      30.79556 
1 1 1 5   32 16 o 96.48568 30.58854 295.0489       194.1957 196.1333       217.1877 689.4343       433.6738 85.97409 32.08882 140.2636 45.82760 -54.28951      55.94516 
1 1 1 5   32 17 o 177.2076 20.48138 966.0678       208.9459 994.1091       240.0341 878.3588       424.5176 178.5170 23.49668 157.0565 44.22161 21.46049       50.07639 
1 1 1 5   32 18 o 191.0623 19.47849 1118.787       215.2139 1073.218       246.7952 1263.440       439.7101 185.4537 23.19679 190.7801 40.54992 -5.326340      46.71603 
1 1 1 5   32 19 o 235.1681 16.74867 1675.548       229.4866 1566.991       270.5044 1954.313       433.4755 225.4976 20.68437 245.2540 30.81544 -19.75641      37.11380 
1 1 1 5   32 20 o 90.08369 30.55760 254.2036       192.4523 316.4182       217.5370 30.14795       412.8241 98.66801 32.46967 90.42432 39.87955 8.243690       51.42624 
1 1 1 5   32 21 o 46.75098 22.57365 -262.9663      186.6376 -114.0049      210.4337 -812.1252      404.0429 58.41417 26.84482 60.28652 29.91760 -1.872353      40.19586 
1 1 1 5   32 22 o 192.4196 16.58839 1134.588       185.3734 1243.268       210.9288 765.8342       388.5340 200.6699 18.11763 141.2907 43.02608 59.37921       46.68503 
1 1 1 5   32 23 o 92.63600 28.18646 289.0631       166.7886 212.5519       185.2779 616.0360       383.0161 82.84969 29.84546 125.7628 43.09958 -42.91312      52.42447 
1 1 1 5   32 24 o 68.17886 28.01659 87.81281       179.7741 323.0471       206.6998 -642.7686      364.2705 96.49171 31.64516 58.42869 28.89044 38.06302       42.84943 
1 1 1 5   32 25 f 124.6528 24.13814 516.5376       170.0873 519.7605       188.1251 502.1077       398.0678 123.4613 26.75557 113.0717 43.16454 10.38955       50.78423 
1 1 1 5   32 26 o 47.82947 22.52206 -137.4608      162.9751 -179.6511      177.7505 85.13108       408.2810 48.14624 22.91925 86.69877 38.85751 -38.55253      45.11317 
1 1 1 5   32 27 o 136.6267 24.61952 628.0910       190.0170 653.7928       214.1850 533.0939       411.7774 137.3001 27.55790 112.8017 43.68299 24.49843       51.64922 
1 1 1 5   32 28 o 60.44443 26.31167 23.86490       174.5455 67.09822       194.8452 -151.7908      392.7457 66.53781 28.36560 73.90502 34.85031 -7.367210      44.93497 
1 1 1 5   32 29 o 49.68959 23.14580 -99.40249      164.4534 -14.89587      186.4675 -395.2490      348.8921 58.65255 26.27589 61.20672 29.85373 -2.554173      39.77018 
1 1 1 5   32 30 o 92.01179 29.00199 311.0804       174.8021 462.2708       208.5442 -46.07313      320.5262 110.4236 30.96028 70.87070 32.77021 39.55295       45.08243 
1 1 1 5   32 31 o 97.86725 29.15023 358.7931       179.7789 520.3159       205.6533 -164.6801      370.2252 117.7417 29.76967 69.55114 33.09977 48.19054       44.51773 
1 1 1 5   32 32 o 57.59731 25.29178 21.72084       164.3814 64.99059       177.9966 -229.0984      428.5485 62.87706 26.96544 70.96099 34.24923 -8.083935      43.59065 
1 1 1 5   32 33 o 71.06595 28.24715 156.2104       176.0520 182.4288       192.4401 21.64608       435.9714 74.64951 29.57724 78.59672 36.95578 -3.947212      47.33437 
1 1 1 5   32 34 o 166.9734 21.29773 943.9634       203.8193 992.7487       238.7666 812.9343       391.3032 167.1389 25.13577 124.0536 43.50661 43.08524       50.24572 
1 1 1 5   32 35 o 47.47409 23.10073 -248.5303      205.4774 -302.6747      236.5887 -82.31279      414.5299 49.63225 24.28866 72.51292 34.65173 -22.88066      42.31644 
1 1 1 5   32 36 f 101.2074 31.29058 422.7900       204.5179 258.1528       229.7098 1052.315       449.1815 81.53560 32.31177 132.9044 46.61305 -51.36877      56.71708 
1 1 1 5   32 37 o 60.16844 27.24258 9.301014       206.5934 130.6363       235.6259 -394.0641      429.6141 70.82755 30.70306 64.12200 31.64405 6.705544       44.09109 
1 1 1 5   33 0  o 531.3944 15.91827 8421.627       495.5342 8421.627       495.5342 0.000000       0.000000 531.3944 15.91827 ?        ?        0.000000       15.91827 
1 1 1 5   33 1  o 269.1497 14.44393 2158.524       227.1622 2192.781       278.0855 2089.817       393.8257 270.2383 17.64258 260.1882 26.16348 10.05002       31.55611 
1 1 1 5   33 2  o 191.2863 11.49220 1085.875       128.3306 1085.875       128.3306 0.000000       0.000000 191.2863 11.49220 ?        ?        0.000000       11.49220 
1 1 1 5   33 3  o 370.5444 12.29731 4070.134       266.8695 4244.514       333.4532 3759.433       445.0997 377.3834 15.09659 352.1266 21.65780 25.25684       26.40014 
1 1 1 5   33 4  o 289.1876 8.249442 2465.306       139.7689 2386.244       147.5477 3156.365       436.2230 284.3943 8.857083 321.6370 23.28317 -37.24271      24.91092 
1 1 1 5   33 5  o 293.8940 8.161926 2546.052       140.5443 2442.890       147.4885 3564.834       463.4871 287.7615 8.749431 341.8168 23.25886 -54.05524      24.85010 
1 1 1 5   33 6  o 301.7518 8.066942 2683.925       142.6329 2671.392       150.6331 2792.601       443.5658 300.9515 8.543051 301.0734 25.35634 -0.1219482     26.75682 
1 1 1 5   33 7  o 349.0112 8.689919 3591.106       177.8712 3591.106       177.8712 0.000000       0.000000 349.0112 8.689919 ?        ?        0.000000       8.689919 
1 1 1 5   33 8  o 93.79779 15.78993 269.4669       83.77859 242.6522       85.09300 1117.376       478.4998 88.62870 16.98885 178.8528 45.51241 -90.22413      48.57984 
1 1 1 5   33 9  o 79.20796 30.33045 147.6717       196.9417 149.3594       219.8558 140.8176       443.0591 81.80197 31.85191 101.8934 43.07812 -20.09148      53.57489 
1 1 1 5   33 10 o 380.8425 12.29012 4307.176       274.1468 3969.294       317.1985 5304.644       545.0022 364.5213 14.86861 416.7909 22.37818 -52.26962      26.86742 
1 1 1 5   33 11 o 251.3315 11.89218 1877.224       174.7936 0.000000       0.000000 1877.224       174.7936 ?        ?        251.3315 11.89218 0.000000       11.89218 
1 1 1 5   33 12 o 118.8678 29.58157 460.2873       205.3967 447.8883       236.0307 498.9695       416.8985 116.6192 33.02180 124.3718 44.77377 -7.752609      55.63389 
1 1 1 5   33 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   33 14 o 378.5327 9.222057 4232.862       204.7301 4372.453       331.3771 4146.688       260.3640 382.2404 14.81010 373.5653 11.89921 8.675018       18.99816 
1 1 1 5   33 15 o 220.8963 16.50800 1473.750       212.3152 1421.899       246.4666 1622.929       418.0541 215.6327 19.70676 222.8298 32.98453 -7.197159      38.42311 
1 1 1 5   33 16 o 227.0436 16.02600 1556.101       212.0242 1550.549       246.1069 1572.086       417.5872 225.4454 18.78419 218.1764 33.72168 7.268997       38.60049 
1 1 1 5   33 17 o 324.5040 13.66402 3152.529       259.4633 3090.163       302.9464 3324.213       502.6380 319.9490 16.19756 324.1572 26.67509 -4.208130      31.20771 
1 1 1 5   33 18 o 128.8990 28.12181 546.6419       206.5972 674.3995       238.3036 160.0740       414.5244 142.8673 29.42143 97.61261 41.48484 45.25470       50.85875 
1 1 1 5   33 19 o 133.3676 26.97412 583.8760       203.7256 491.2585       232.6411 888.5269       421.9305 119.7781 32.35895 153.2737 44.39218 -33.49560      54.93421 
1 1 1 5   33 20 o 201.9632 17.93491 1257.231       210.2262 1447.716       245.1056 727.1559       408.8764 215.8469 19.57493 137.0930 44.47762 78.75389       48.59462 
1 1 1 5   33 21 o 48.56978 22.85552 -148.6523      167.3430 -91.05608      191.3261 -336.1562      345.2092 56.16620 25.73203 65.71223 31.46126 -9.546032      40.64417 
1 1 1 5   33 22 o 59.48126 25.89576 7.066292       169.1172 -14.51385      194.3527 74.35624       343.1931 61.51387 27.23523 83.27711 36.55707 -21.76324      45.58703 
1 1 1 5   33 23 o 167.8340 17.79557 880.7570       172.4971 1099.586       197.0933 164.4843       356.5816 187.4676 18.15339 88.81516 38.12916 98.65246       42.23006 
1 1 1 5   33 24 o 66.39642 27.13610 89.68733       167.4975 124.8427       183.5987 -84.78412      409.0121 71.68718 28.72840 79.51692 36.85543 -7.829742      46.72948 
1 1 1 5   33 25 o 125.4334 26.90454 542.4888       191.9850 450.6768       214.7022 908.7744       428.8416 111.1691 31.49991 143.5262 45.44992 -32.35709      55.29865 
1 1 1 5   33 26 o 137.6216 23.78864 634.4769       185.0592 653.9455       206.2615 554.1168       419.0548 137.7760 26.48862 113.2939 44.01381 24.48210       51.36986 
1 1 1 5   33 27 f 125.2786 25.57445 542.8361       181.5384 478.9498       197.8951 882.0815       456.0245 114.7358 29.30760 134.3910 46.97897 -19.65527      55.37111 
1 1 1 5   33 28 o 70.68655 27.96660 140.6750       171.8213 173.9055       188.1752 -25.96183      421.3857 75.37232 29.43354 79.32613 36.98394 -3.953812      47.26675 
1 1 1 5   33 29 o 75.63216 29.65686 178.1992       191.6960 189.9191       217.1554 136.8242       408.0164 78.15147 31.26923 84.67538 38.31711 -6.523903      49.45670 
1 1 1 5   33 30 o 109.3320 27.01486 434.5540       172.2038 407.0479       189.6857 563.4837       410.6728 103.6325 29.68839 107.8350 43.04972 -4.202545      52.29416 
1 1 1 5   33 31 o 63.96922 26.80901 88.30042       169.2319 89.44022       184.8830 82.41052       420.2765 65.57734 27.78077 80.83305 37.42853 -15.25571      46.61187 
1 1 1 5   33 32 o 60.47962 26.37951 44.62495       176.1912 -37.21240      191.6990 489.9258       447.1680 56.45909 25.82516 99.23135 42.65120 -42.77225      49.86044 
1 1 1 5   33 33 o 220.8033 17.87968 1583.838       229.5555 1778.721       266.1975 1018.503       453.3871 231.5723 19.78998 133.1208 46.81957 98.45146       50.83026 
1 1 1 5   33 34 o 74.94457 30.64440 187.0668       213.7335 325.5616       247.7883 -215.4721      422.4429 88.26921 33.96478 68.84553 33.41303 19.42368       47.64490 
1 1 1 5   33 35 o 60.96589 27.73148 2.355976       217.1209 -26.72513      235.1594 170.3932       565.2748 61.06874 28.17783 84.64052 40.45195 -23.57178      49.29858 
1 1 1 5   33 36 o 58.35836 26.95917 -36.29323      216.1835 17.74777       239.5347 -273.6291      501.9824 63.70377 29.03529 70.82120 34.80472 -7.117424      45.32568 
1 1 1 5   34 0  o 589.2945 16.82594 10409.21       580.9216 10409.21       580.9216 0.000000       0.000000 589.2945 16.82594 ?        ?        0.000000       16.82594 
1 1 1 5   34 1  o 382.4930 12.09373 4341.815       270.9495 4266.944       333.9507 4486.045       463.5050 377.9239 15.09740 384.4796 20.63118 -6.555695      25.56515 
1 1 1 5   34 2  o 238.7363 9.947379 1686.741       138.9713 1686.741       138.9713 0.000000       0.000000 238.7363 9.947379 ?        ?        0.000000       9.947379 
1 1 1 5   34 3  o 313.8771 10.50992 2916.567       193.1953 3006.967       213.8341 2514.918       450.7314 318.4233 11.46916 283.7003 27.43170 34.72299       29.73281 
1 1 1 5   34 4  o 143.5474 12.85093 616.6370       107.0450 559.6492       110.8276 1408.988       413.2529 136.4244 14.05257 207.3897 35.23588 -70.96529      37.93470 
1 1 1 5   34 5  o 258.3962 9.029594 1972.763       136.6271 1972.763       136.6271 0.000000       0.000000 258.3962 9.029594 ?        ?        0.000000       9.029594 
1 1 1 5   34 6  o 48.54391 19.80968 29.52686       89.09635 85.70934       91.33170 -1076.264      405.1889 57.76606 20.93488 56.39288 28.28486 1.373188       35.18952 
1 1 1 5   34 7  o 59.51191 19.68763 102.8650       79.94140 89.01784       81.45497 465.1147       416.6213 56.98142 19.85918 121.7880 44.62486 -64.80657      48.84430 
1 1 1 5   34 8  o 262.8630 8.258091 2039.564       127.1512 2064.909       132.2919 1732.330       460.5980 264.4324 8.541580 229.6826 35.32333 34.74983       36.34138 
1 1 1 5   34 9  o 51.39419 18.71859 66.38206       73.14151 66.38206       73.14151 0.000000       0.000000 51.39419 18.71859 ?        ?        0.000000       18.71859 
1 1 1 5   34 10 o 123.1970 46.14323 476.4283       449.9008 0.000000       0.000000 476.4283       449.9008 ?        ?        123.1970 46.14323 0.000000       46.14323 
1 1 1 5   34 11 o 230.4739 10.14424 1574.692       136.7813 1440.360       254.7463 1629.107       162.1350 216.9038 20.26021 233.9706 11.85448 -17.06680      23.47349 
1 1 1 5   34 12 f 253.6065 11.04780 1910.423       163.9244 0.000000       0.000000 1910.423       163.9244 ?        ?        253.6065 11.04780 0.000000       11.04780 
1 1 1 5   34 13 o 259.7759 8.036592 1992.931       122.2922 2000.635       269.0737 1990.925       137.2912 256.6986 17.98682 259.4033 9.038177 -2.704651      20.12994 
1 1 1 5   34 14 o 283.1818 13.71480 2401.354       227.0974 2153.384       265.4526 3078.293       438.5932 266.6065 17.06681 314.2697 23.97729 -47.66318      29.43105 
1 1 1 5   34 15 o 187.4563 19.44388 1081.997       210.6625 873.1138       240.6006 1768.155       436.0703 165.3068 25.64797 230.8482 33.15965 -65.54141      41.92112 
1 1 1 5   34 16 o 219.2307 16.38625 1459.834       209.1598 1527.245       240.3830 1249.727       424.3825 223.2040 18.53027 187.8640 39.75953 35.34004       43.86560 
1 1 1 5   34 17 o 68.30012 28.63985 57.81571       193.2987 -48.75150      216.0047 486.2609       433.1109 63.28694 28.32159 118.5622 45.08095 -55.27526      53.23913 
1 1 1 5   34 18 o 73.91302 29.90774 112.8937       201.0735 159.8318       227.1944 -56.74731      431.9170 80.88909 32.10909 85.84944 39.07472 -4.960350      50.57497 
1 1 1 5   34 19 o 110.6438 28.55029 417.6663       186.4987 403.0637       206.8699 481.0487       430.9884 107.7369 31.04781 115.1106 44.65926 -7.373665      54.39132 
1 1 1 5   34 20 o 72.56586 29.33174 116.5072       193.1740 83.79570       218.0060 236.0584       416.7687 72.23337 30.36008 97.41722 41.50613 -25.18385      51.42464 
1 1 1 5   34 21 o 54.74825 24.76668 -53.69403      170.3012 -2.884403      188.5170 -279.1492      397.1070 61.29504 26.99417 71.99062 34.26630 -10.69558      43.62184 
1 1 1 5   34 22 o 172.5708 17.56250 931.9313       175.2738 915.4586       193.9964 1005.128       408.9370 169.5624 19.88543 156.0414 43.20861 13.52097       47.56484 
1 1 1 5   34 23 o 68.67030 28.01200 102.6271       178.0693 105.0406       198.2572 92.55369       405.0333 70.96615 29.31797 86.60281 38.76695 -15.63667      48.60473 
1 1 1 5   34 24 o 150.2583 22.29106 741.6284       190.4889 865.6312       212.1543 225.8236       432.6918 161.9866 22.97556 93.88642 41.13591 68.10021       47.11729 
1 1 1 5   34 25 o 49.00642 23.15407 -146.0491      174.9110 -151.0935      191.0143 -119.8593      435.2408 51.34117 24.23882 78.17833 36.81053 -26.83716      44.07421 
1 1 1 5   34 26 o 81.00949 28.83446 226.0791       172.3887 190.9367       186.2629 435.9575       455.1920 77.31178 29.52328 102.6577 43.54429 -25.34595      52.60921 
1 1 1 5   34 27 o 226.2962 16.08151 1607.283       212.0389 1737.465       245.0918 1219.910       422.7849 233.3642 18.04803 165.2449 43.16176 68.11923       46.78321 
1 1 1 5   34 28 o 58.22169 26.21917 -17.10869      188.3716 -81.32338      207.3019 287.0993       451.2025 56.69561 26.26414 92.65536 41.23337 -35.95975      48.88758 
1 1 1 5   34 29 o 65.30351 27.72886 83.53600       184.9144 201.6810       203.2539 -483.9406      445.4565 77.79270 30.52774 65.81207 32.42935 11.98063       44.53769 
1 1 1 5   34 30 o 90.89709 29.84989 317.9699       183.8871 316.5579       201.5281 324.9925       449.4294 90.05445 31.24587 91.88044 41.00330 -1.825989      51.55167 
1 1 1 5   34 31 o 74.68237 30.31843 179.1600       207.4128 201.2688       232.7336 93.81774       457.2545 77.74146 31.90420 81.46369 38.15827 -3.722229      49.73863 
1 1 1 5   34 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   34 33 o 49.24752 23.64193 -177.5850      197.8739 -91.49704      222.5600 -502.3498      432.2752 56.48590 26.51047 62.42227 30.97191 -5.936375      40.76842 
1 1 1 5   34 34 o 62.98539 28.31208 33.36055       218.5034 19.29705       247.0824 83.82247       468.0334 64.64252 29.47319 79.31430 37.59258 -14.67178      47.76893 
1 1 1 5   34 35 o 37.05719 18.85117 -724.8484      222.3526 -857.9312      250.8025 -236.0597      480.6530 38.34896 19.55542 70.42709 34.49742 -32.07813      39.65459 
1 1 1 5   35 0  o 229.3821 10.59682 1560.825       142.1708 1560.825       142.1708 0.000000       0.000000 229.3821 10.59682 ?        ?        0.000000       10.59682 
1 1 1 5   35 1  o 389.2313 14.96833 4533.394       341.0526 4533.394       341.0526 0.000000       0.000000 389.2313 14.96833 ?        ?        0.000000       14.96833 
1 1 1 5   35 2  o 387.6875 10.69301 4453.624       242.8943 4394.762       273.3748 4674.305       529.3307 384.5407 12.13695 389.7711 23.26201 -5.230377      26.23789 
1 1 1 5   35 3  o 198.3048 16.88592 1189.137       194.5188 1119.844       216.0942 1485.090       446.5902 191.4296 19.52080 210.5651 37.54058 -19.13551      42.31261 
1 1 1 5   35 4  o 201.5596 10.65110 1206.218       125.4597 1206.218       125.4597 0.000000       0.000000 201.5596 10.65110 ?        ?        0.000000       10.65110 
1 1 1 5   35 5  o 255.0081 9.361553 1923.979       139.7702 1923.979       139.7702 0.000000       0.000000 255.0081 9.361553 ?        ?        0.000000       9.361553 
1 1 1 5   35 6  o 210.7927 9.276710 1315.332       114.4024 1378.486       120.0012 685.5072       378.9585 215.7528 9.507060 140.0511 42.46072 75.70172       43.51203 
1 1 1 5   35 7  o 310.3904 8.690346 2846.422       158.0404 2846.422       158.0404 0.000000       0.000000 310.3904 8.690346 ?        ?        0.000000       8.690346 
1 1 1 5   35 8  o 186.1557 9.364358 1026.878       101.9079 1014.865       105.2116 1209.217       409.8841 184.9837 9.732181 188.2999 38.41850 -3.316177      39.63201 
1 1 1 5   35 9  f 134.8253 11.85101 544.1065       92.75563 562.7298       94.71453 107.7994       458.4425 137.1197 11.89543 99.45747 42.97010 37.66219       44.58622 
1 1 1 5   35 10 o 279.9221 14.35686 2350.064       234.9059 2284.126       271.0055 2549.292       471.0681 274.7829 16.89832 282.4052 28.84676 -7.622345      33.43185 
1 1 1 5   35 11 o 262.9463 15.72620 2085.721       241.4084 1763.399       277.2035 3097.601       491.1549 239.6796 19.89978 312.5754 27.05873 -72.89577      33.58833 
1 1 1 5   35 12 o 93.20637 35.59301 239.6609       270.7239 0.000000       0.000000 239.6609       270.7239 ?        ?        93.20637 35.59301 0.000000       35.59301 
1 1 1 5   35 13 o 204.1232 8.834378 1234.879       105.5090 578.3356       241.3269 1390.032       117.3153 130.8118 31.77545 216.4780 9.261792 -85.66623      33.09773 
1 1 1 5   35 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   35 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   35 16 o 41.02170 20.37554 -422.8934      189.0463 -366.7930      211.9334 -641.3615      418.2255 46.69505 22.87987 65.00241 31.90958 -18.30736      39.26461 
1 1 1 5   35 17 o 126.9716 25.87696 536.3919       186.1491 618.4464       208.7493 217.8057       411.3272 135.8064 27.15880 96.88236 41.25480 38.92408       49.39190 
1 1 1 5   35 18 o 108.6371 29.49920 410.8998       192.7520 375.6699       212.5130 574.3411       457.7312 103.1742 31.89593 119.8478 46.15067 -16.67369      56.10022 
1 1 1 5   35 19 o 54.45305 24.80202 -67.27657      174.4013 -39.99268      188.4262 -230.3579      460.6704 58.53945 26.30434 79.04015 37.41333 -20.50069      45.73484 
1 1 1 5   35 20 o 52.22852 23.84773 -68.10612      162.5217 -93.55298      175.5247 84.80382       430.2680 52.73787 24.33756 88.48373 39.75518 -35.74585      46.61320 
1 1 1 5   35 21 o 60.61098 26.56688 8.820268       180.6337 72.76505       199.2673 -285.9170      427.8102 68.22096 28.86824 73.48045 35.13810 -5.259483      45.47594 
1 1 1 5   35 22 o 86.03873 29.74523 254.2789       182.5643 326.5730       202.7273 -55.88348      419.9090 95.24962 31.34495 80.50542 37.32384 14.74419       48.73987 
1 1 1 5   35 23 o 57.46049 25.33206 0.8099235      166.4256 -75.45939      181.9726 390.8121       411.4950 54.34744 24.97136 101.6156 42.13267 -47.26811      48.97684 
1 1 1 5   35 24 o 172.5601 19.39569 960.2111       192.8944 907.9755       219.0231 1140.795       407.2358 164.5602 23.34893 162.4050 42.33142 2.155167       48.34379 
1 1 1 5   35 25 o 105.5376 28.82128 409.5303       183.3821 451.6851       202.7838 220.3192       429.6188 109.6739 30.44895 90.14710 40.16871 19.52679       50.40499 
1 1 1 5   35 26 o 49.23620 23.13021 -118.2051      170.1290 -96.82882      186.5230 -224.0222      414.9969 53.01242 24.67895 71.35865 34.25184 -18.34623      42.21657 
1 1 1 5   35 27 o 42.66248 21.10154 -359.8281      194.8960 -377.7834      212.8622 -266.7307      484.6984 44.77963 22.13115 74.18868 35.95544 -29.40905      42.22063 
1 1 1 5   35 28 o 117.7958 30.64414 536.4179       213.6862 548.2857       240.5921 492.0824       465.0212 116.0714 33.49305 100.8475 43.42179 15.22396       54.83828 
1 1 1 5   35 29 o 82.69025 31.19301 255.5637       206.3916 541.0215       236.7550 -648.1465      421.2527 114.7610 33.25796 59.74201 29.79406 55.01903       44.65174 
1 1 1 5   35 30 o 101.5749 32.12611 422.8994       214.3212 613.0663       243.5946 -228.7385      450.9240 122.0063 33.17603 70.97649 34.46438 51.02976       47.83767 
1 1 1 5   35 31 o 45.00303 21.92307 -242.1502      186.5100 -214.4863      203.2885 -389.2881      468.8327 48.57180 23.47882 67.67056 33.33052 -19.09876      40.76982 
1 1 1 5   35 32 f 85.04279 31.37355 291.7317       206.4993 311.9912       229.4286 205.3025       473.8747 86.75204 32.85132 83.85843 39.13771 2.893608       51.09765 
1 1 1 5   35 33 o 237.2761 17.58138 1838.365       242.9187 2164.812       294.2354 1139.525       430.5041 253.9756 19.91300 142.3996 45.58874 111.5760       49.74797 
1 1 1 5   35 34 o 49.98829 24.58279 -330.5581      251.7684 -292.9293      298.2098 -423.9420      469.7832 56.02214 27.38444 65.49548 32.46022 -9.473347      42.46850 
1 1 1 5   36 0  o 239.7619 9.848210 1704.106       138.1856 1634.007       147.0768 2231.856       403.5547 234.5354 10.72101 266.2705 26.18034 -31.73514      28.29046 
1 1 1 5   36 1  o 285.6507 13.35793 2438.615       223.1621 2256.294       259.4149 2957.616       437.6844 273.5072 16.24564 308.1064 24.42162 -34.59927      29.33149 
1 1 1 5   36 2  o 236.6930 9.512042 1659.743       131.7723 1575.568       137.0805 2683.905       478.1550 230.4346 10.16829 290.3654 28.44292 -59.93074      30.20585 
1 1 1 5   36 3  o 235.1739 9.764187 1639.591       134.3786 1625.178       141.3290 1775.415       433.8399 233.9866 10.32430 232.7097 32.68801 1.276840       34.27970 
1 1 1 5   36 4  f 213.4545 10.10001 1352.461       126.0794 1352.741       133.6964 1350.209       378.9417 213.3134 10.72126 202.1107 33.11506 11.20262       34.80736 
1 1 1 5   36 5  o 240.8003 9.883253 1719.852       139.2783 1719.852       139.2783 0.000000       0.000000 240.8003 9.883253 ?        ?        0.000000       9.883253 
1 1 1 5   36 6  o 200.6049 21.35801 1247.144       247.4182 1247.144       247.4182 0.000000       0.000000 200.6049 21.35801 ?        ?        0.000000       21.35801 
1 1 1 5   36 7  o 193.1564 18.72847 1143.888       209.5000 1049.494       246.4126 1390.071       397.9408 182.6759 23.54732 203.4238 34.59265 -20.74788      41.84648 
1 1 1 5   36 8  o 132.8429 42.74771 635.3674       378.1731 0.000000       0.000000 635.3674       378.1731 ?        ?        132.8429 42.74771 0.000000       42.74771 
1 1 1 5   36 9  o 66.55936 19.63753 138.2136       81.90148 153.1248       83.65405 -206.5141      402.2246 69.73519 19.62885 78.44862 36.42503 -8.713432      41.37722 
1 1 1 5   36 10 o 122.4304 30.26154 504.1595       216.0284 531.8312       250.4909 423.8362       426.7705 124.3409 33.57132 114.7106 44.45776 9.630272       55.70930 
1 1 1 5   36 11 o 186.2511 10.84649 1035.651       117.9656 0.000000       0.000000 1035.651       117.9656 ?        ?        186.2511 10.84649 0.000000       10.84649 
1 1 1 5   36 12 o 148.5676 10.61496 660.2632       91.88021 378.2549       229.0872 714.3223       100.3008 105.0436 33.21325 154.4042 11.15142 -49.36063      35.03533 
1 1 1 5   36 13 o 155.6296 9.378757 721.7602       85.20556 534.4324       229.1899 751.8034       91.78413 124.1768 31.44373 158.7008 9.910861 -34.52395      32.96867 
1 1 1 5   36 14 o 296.1770 12.93137 2643.176       224.0776 0.000000       0.000000 2643.176       224.0776 ?        ?        296.1770 12.93137 0.000000       12.93137 
1 1 1 5   36 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   36 16 o 86.41682 30.61754 244.6768       194.1678 80.93456       213.5013 1027.920       466.9477 71.23099 29.99797 154.7290 47.17841 -83.49805      55.90778 
1 1 1 5   36 17 o 83.42194 29.02357 228.8334       173.9389 292.9613       187.9914 -152.6390      458.5071 92.06825 30.17824 81.26672 38.11226 10.80153       48.61348 
1 1 1 5   36 18 o 206.0852 16.79448 1320.301       201.2267 1328.420       225.0838 1287.976       449.1146 205.1867 18.91727 177.0705 43.55344 28.11624       47.48437 
1 1 1 5   36 19 o 120.8198 26.76555 503.4938       184.6576 568.1368       200.9650 152.9774       467.9657 127.9714 27.58981 92.76176 41.58587 35.20962       49.90574 
1 1 1 5   36 20 o 107.2503 27.01201 402.0530       169.7858 410.3232       182.2216 347.5915       467.6162 107.5009 28.45983 101.4739 43.61529 6.026955       52.07932 
1 1 1 5   36 21 o 52.75675 23.99907 -53.48226      162.6443 14.21727       173.4129 -548.3538      468.8509 59.54462 26.06677 68.71487 33.74286 -9.170242      42.63868 
1 1 1 5   36 22 o 46.32536 22.40230 -234.6365      185.5568 -271.9674      202.9115 -43.98133      458.5605 47.53190 23.08927 81.67794 38.24382 -34.14604      44.67331 
1 1 1 5   36 23 o 147.0303 24.32895 738.8533       202.4577 725.3436       224.2577 798.3814       470.7439 142.6467 27.80568 124.5113 47.07780 18.13548       54.67609 
1 1 1 5   36 24 o 65.79858 27.14369 98.20739       169.6098 211.2411       186.9754 -426.9091      403.0032 79.09317 29.72119 64.77429 31.69904 14.31888       43.45317 
1 1 1 5   36 25 o 51.42292 23.64156 -63.01779      163.4406 -129.8360      182.2955 210.7905       369.0215 50.35967 23.74609 85.95505 37.81422 -35.59538      44.65191 
1 1 1 5   36 26 o 85.94522 31.19888 277.9695       202.9540 403.8077       225.4384 -260.1557      466.1904 100.0465 33.06000 72.59335 35.20114 27.45313       48.29165 
1 1 1 5   36 27 o 50.17274 23.94440 -166.8478      196.5545 -89.18587      218.7872 -491.7677      447.5135 57.02398 26.60704 65.15517 32.18049 -8.131191      41.75546 
1 1 1 5   36 28 f 68.65881 28.54621 125.8552       189.6307 189.4528       205.8466 -230.7561      487.4397 75.57322 30.37320 73.15395 35.59270 2.419273       46.79072 
1 1 1 5   36 29 o 73.17029 29.44697 173.2599       193.7618 253.9160       211.9988 -235.9530      477.5178 81.84204 31.43573 72.05125 35.09490 9.790794       47.11536 
1 1 1 5   36 30 o 76.57401 30.67239 207.0197       209.1852 104.4148       231.8470 656.2476       485.1219 69.25188 30.23207 104.3113 44.62124 -35.05941      53.89835 
1 1 1 5   36 31 o 88.57116 34.09822 336.3968       249.8283 455.4019       302.6046 81.63715       442.7495 97.47740 37.52730 78.38126 36.97371 19.09614       52.68163 
1 1 1 5   36 32 o 85.71721 34.09630 309.6981       256.6973 479.8843       307.2823 -83.38245      466.9992 98.93060 37.88517 73.94318 35.70441 24.98742       52.05854 
1 1 1 5   37 0  o 98.91138 21.46354 312.3716       120.9241 312.3716       120.9241 0.000000       0.000000 98.91138 21.46354 ?        ?        0.000000       21.46354 
1 1 1 5   37 1  o 351.9006 14.39884 3723.602       296.5376 3723.602       296.5376 0.000000       0.000000 351.9006 14.39884 ?        ?        0.000000       14.39884 
1 1 1 5   37 2  o 36.65681 17.56659 -144.1354      108.1727 -160.7341      112.1101 79.79792       411.7821 36.62030 17.63525 92.50774 40.33907 -55.88745      44.02547 
1 1 1 5   37 3  o 65.51859 23.63194 117.6927       116.2062 117.6927       116.2062 0.000000       0.000000 65.51859 23.63194 ?        ?        0.000000       23.63194 
1 1 1 5   37 4  o 229.2414 10.15324 1562.932       136.1662 1562.932       136.1662 0.000000       0.000000 229.2414 10.15324 ?        ?        0.000000       10.15324 
1 1 1 5   37 5  o 138.3375 13.67011 579.2134       109.4596 579.2134       109.4596 0.000000       0.000000 138.3375 13.67011 ?        ?        0.000000       13.67011 
1 1 1 5   37 6  o 48.77761 20.05802 29.75161       92.22825 29.75161       92.22825 0.000000       0.000000 48.77761 20.05802 ?        ?        0.000000       20.05802 
1 1 1 5   37 7  o 114.7299 13.66186 400.6072       90.12209 431.3090       93.13715 -50.69218      357.0863 119.1263 13.57289 79.79860 36.00293 39.32773       38.47641 
1 1 1 5   37 8  o 115.4865 13.91431 406.8103       92.34505 406.8103       92.34505 0.000000       0.000000 115.4865 13.91431 ?        ?        0.000000       13.91431 
1 1 1 5   37 9  o 219.6568 8.289622 1430.877       106.5982 1471.823       110.8929 932.7532       386.7827 222.7163 8.505507 156.9502 41.42249 65.76611       42.28671 
1 1 1 5   37 10 o 187.3662 19.27126 1096.435       208.7478 963.1778       239.9207 1511.611       423.4852 172.4143 24.40875 205.9375 36.39400 -33.52325      43.82135 
1 1 1 5   37 11 o 268.0756 14.07611 2179.251       220.5291 2325.045       256.0126 1759.932       434.1738 275.6772 15.90219 223.8950 34.14378 51.78223       37.66533 
1 1 1 5   37 12 o 275.7806 8.364750 2258.385       135.1341 2352.208       259.1405 2223.342       158.3721 276.9180 16.02480 272.9453 9.910010 3.972717       18.84151 
1 1 1 5   37 13 f 311.4430 8.111033 2879.033       148.0251 2454.436       261.2894 3079.711       179.6314 282.7841 15.81797 321.3822 9.540936 -38.59814      18.47262 
1 1 1 5   37 14 o 181.1579 18.31185 1029.549       191.8856 872.0815       212.5829 1722.145       445.8332 163.7798 22.74483 216.5269 36.39831 -52.74704      42.92044 
1 1 1 5   37 15 o 254.2471 14.51498 1977.268       215.5335 1901.628       241.3634 2275.013       478.8670 247.6667 16.71493 252.5249 33.13253 -4.858109      37.11002 
1 1 1 5   37 16 o 215.5975 19.60458 1476.040       245.1778 1476.040       245.1778 0.000000       0.000000 215.5975 19.60458 ?        ?        0.000000       19.60458 
1 1 1 5   37 17 o 122.3827 26.58883 516.3627       185.3716 460.0395       200.7868 841.4952       482.4156 113.2422 29.82497 133.6686 48.15810 -20.42632      56.64566 
1 1 1 5   37 18 o 103.3215 30.73048 389.5493       199.9123 328.9475       223.9532 627.2253       443.5139 95.08794 32.94135 118.2798 45.45900 -23.19186      56.13958 
1 1 1 5   37 19 o 53.10750 24.69991 -105.4551      186.1502 -148.6000      209.3932 57.16340       406.5207 54.24273 25.53785 83.31908 37.91738 -29.07634      45.71552 
1 1 1 5   37 20 o 85.57022 30.14508 259.1933       188.0081 357.7169       207.3499 -196.2208      445.7968 97.65000 31.67304 75.61359 36.07876 22.03641       48.00893 
1 1 1 5   37 21 o 69.58784 27.80532 131.4324       171.4736 116.3775       184.2898 228.5175       467.9912 69.15215 28.38594 91.82560 41.34160 -22.67345      50.14868 
1 1 1 5   37 22 o 62.18681 26.87581 46.97350       179.4490 90.87273       193.2986 -226.8598      482.7735 67.42404 28.47697 76.00217 36.59922 -8.578133      46.37284 
1 1 1 5   37 23 o 88.00679 31.83722 290.4413       211.1054 322.2285       232.6875 142.5388       501.9210 91.36572 33.37011 87.92799 40.77931 3.437729       52.69266 
1 1 1 5   37 24 o 84.50459 30.98933 264.2996       200.9798 401.1148       233.3278 -129.0638      395.6365 99.46461 33.64730 72.05880 34.27149 27.40582       48.02787 
1 1 1 5   37 25 o 76.99941 30.05164 201.4825       196.0700 -0.4157578E-01 216.9009 1102.061       458.5203 62.03856 28.01841 142.4648 47.15135 -80.42628      54.84780 
1 1 1 5   37 26 o 121.9500 27.90077 555.4394       195.2129 503.2056       217.7152 769.6628       440.9066 111.9308 31.72166 116.7690 45.20648 -4.838188      55.22581 
1 1 1 5   37 27 o 86.60197 29.97859 292.2202       185.4648 396.6375       200.4685 -328.0528      488.5977 99.23423 31.02732 70.56680 34.61027 28.66743       46.48188 
1 1 1 5   37 28 o 63.24771 27.91098 51.72709       202.5082 153.8589       227.2449 -342.2626      446.3301 72.93837 30.84464 67.29559 33.02087 5.642784       45.18595 
1 1 1 5   37 29 o 84.07454 32.38218 285.1440       225.3893 309.0717       258.5723 209.4538       459.8875 86.10191 34.22996 83.66372 38.88134 2.438187       51.80201 
1 1 1 5   37 30 f 62.73226 29.09695 -27.57984      255.6332 -284.8435      303.0292 607.3437       476.0538 57.01931 27.81376 100.3994 43.58106 -43.38009      51.70023 
1 1 1 5   37 31 o 58.90285 27.48037 -56.70380      233.2714 -62.97792      271.8119 -39.16515      454.4539 62.21291 29.22957 74.27399 35.70098 -12.06109      46.14031 
1 1 1 5   38 0  o 140.2968 14.08385 599.4453       114.3173 520.7087       119.1618 1509.166       405.0445 129.9738 15.96773 208.0240 34.40142 -78.05020      37.92659 
1 1 1 5   38 1  o 230.3109 9.437352 1578.451       127.2021 1569.502       134.4034 1655.306       393.8896 229.4466 10.01210 220.9116 31.27576 8.534943       32.83924 
1 1 1 5   38 2  o 182.1590 11.03524 994.0889       117.3386 994.0123       122.7358 994.9030       400.0871 181.9650 11.56071 161.3138 41.91414 20.65123       43.47925 
1 1 1 5   38 3  o 111.1334 16.37050 383.7309       103.5054 332.9306       107.8370 978.2477       368.9070 102.5485 18.61571 162.2717 39.20564 -59.72314      43.40078 
1 1 1 5   38 4  o 156.7734 12.56560 742.5005       114.5663 742.5005       114.5663 0.000000       0.000000 156.7734 12.56560 ?        ?        0.000000       12.56560 
1 1 1 5   38 5  o 42.28689 19.00605 -36.53612      98.43969 -36.53612      98.43969 0.000000       0.000000 42.28689 19.00605 ?        ?        0.000000       19.00605 
1 1 1 5   38 6  f 122.6335 13.80132 459.6963       97.53995 459.6963       97.53995 0.000000       0.000000 122.6335 13.80132 ?        ?        0.000000       13.80132 
1 1 1 5   38 7  o 89.24879 18.25385 254.2495       92.31960 254.2495       92.31960 0.000000       0.000000 89.24879 18.25385 ?        ?        0.000000       18.25385 
1 1 1 5   38 8  o 191.4891 9.050525 1092.679       101.3532 1084.501       105.6010 1188.236       360.9851 190.6239 9.475531 181.3506 35.21043 9.273300       36.46313 
1 1 1 5   38 9  o 43.14860 21.26222 -360.9612      191.5247 -341.0740      224.6550 -413.8686      366.4269 49.14380 23.96689 64.63958 31.31203 -15.49578      39.43165 
1 1 1 5   38 10 o 158.1241 21.56718 805.6430       194.7980 752.5491       222.8491 977.6132       401.0655 149.5719 26.36764 155.2181 42.71724 -5.646164      50.19975 
1 1 1 5   38 11 o 57.21884 25.77038 -42.59138      182.0349 18.54987       204.4265 -276.7186      400.0331 64.81831 28.34037 71.90429 34.27210 -7.085983      44.47194 
1 1 1 5   38 12 o 215.5945 9.037350 1386.882       114.0158 861.2240       223.7187 1571.316       132.5167 161.1147 24.44275 229.1231 9.884941 -68.00845      26.36589 
1 1 1 5   38 13 o 283.9798 8.179749 2398.356       136.0897 2270.553       264.1680 2444.528       158.7807 270.3534 16.74304 286.0192 9.478779 -15.66577      19.23997 
1 1 1 5   38 14 o 140.0883 10.38490 591.2009       84.71406 518.6155       198.0161 607.4619       93.72404 121.4427 28.32446 141.6391 11.37846 -20.19646      30.52449 
1 1 1 5   38 15 o 59.69863 26.38268 -0.9531760     181.5600 -1.097317      199.9605 -0.2763465     433.3013 62.16459 27.56904 83.42707 38.40577 -21.26249      47.27637 
1 1 1 5   38 16 o 55.14539 25.35158 -77.22455      187.9039 2.860126       211.6778 -374.8810      408.0922 63.66167 28.29170 68.09625 33.00020 -4.434586      43.46762 
1 1 1 5   38 17 o 117.1465 28.37008 492.4804       192.8194 481.3512       214.4674 539.4103       440.4060 113.5886 31.22841 110.1660 44.37413 3.422600       54.26119 
1 1 1 5   38 18 o 140.5121 26.61445 692.0750       211.2945 692.0750       211.2945 0.000000       0.000000 140.5121 26.61445 ?        ?        0.000000       26.61445 
1 1 1 5   38 19 o 73.87414 35.30120 -190.0426      430.1480 0.000000       0.000000 -190.0426      430.1480 ?        ?        73.87414 35.30120 0.000000       35.30120 
1 1 1 5   38 20 o 55.15670 25.46781 -75.47598      192.5882 -30.51198      216.6948 -244.5070      420.1449 61.03004 27.73858 71.13206 34.22568 -10.10202      44.05481 
1 1 1 5   38 21 o 82.77528 30.93320 245.0271       201.9515 256.7631       232.3881 208.8203       408.1764 84.60263 32.80155 87.24544 38.99572 -2.642807      50.95692 
1 1 1 5   38 22 o 120.2322 28.50771 536.6884       197.9446 624.2648       224.6162 232.2242       418.8087 128.1579 30.35488 87.91791 39.38329 40.24004       49.72386 
1 1 1 5   38 23 o 123.0468 27.81104 559.8947       195.9595 555.4941       220.2610 576.6013       429.1663 119.1394 31.17052 105.8716 43.37242 13.26779       53.41131 
1 1 1 5   38 24 o 48.90734 23.79464 -264.4737      217.7876 -230.4703      247.4206 -381.4684      458.9418 53.98521 26.04790 68.09584 33.42787 -14.11063      42.37825 
1 1 1 5   38 25 o 59.48388 27.23145 -26.40738      213.7347 -56.60445      242.7329 77.80850       450.9342 60.90996 28.28660 80.22810 37.67936 -19.31814      47.11545 
1 1 1 5   38 26 o 115.8958 30.98162 537.6315       214.6338 460.1524       241.0796 833.7955       471.3401 103.2362 34.19049 116.6161 46.26207 -13.37988      57.52538 
1 1 1 5   38 27 o 119.8036 29.80207 565.5245       208.5336 666.4910       231.5019 131.1009       480.2005 129.1385 30.96714 81.70772 38.53152 47.43077       49.43321 
1 1 1 5   38 28 o 68.92860 29.36824 126.7768       208.6557 154.3111       233.5216 17.74974       464.6836 72.52281 30.98914 76.94256 36.74651 -4.419746      48.06904 
1 1 1 5   38 29 o 57.09546 26.73607 -75.62505      224.1999 35.63782       258.2065 -416.5387      451.9749 66.20639 30.16427 64.91721 32.11367 1.289177       44.05872 
1 1 1 5   38 30 o 142.8362 29.38793 801.9876       237.9654 1111.843       282.1282 38.06515       442.9875 168.4393 29.64156 75.62404 36.05069 92.81531       46.67198 
1 1 1 5   39 0  o 286.7957 13.36842 2494.632       224.2366 2700.993       274.1909 2077.890       389.6478 296.4951 15.82563 249.3011 27.08479 47.19406       31.36936 
1 1 1 5   39 1  o 137.9309 14.28341 583.8713       113.8729 643.0862       118.9342 -67.78141      394.5474 144.8627 14.18052 79.67979 36.66885 65.18294       39.31529 
1 1 1 5   39 2  f 89.90217 20.58154 264.0100       106.1704 246.1976       110.5320 476.4416       381.7126 86.36815 21.81796 111.2690 42.31833 -24.90085      47.61160 
1 1 1 5   39 3  o 102.5040 18.24218 334.8293       105.6450 344.7246       109.9828 216.7547       379.9167 103.8203 18.75307 93.06010 39.63847 10.76020       43.85072 
1 1 1 5   39 4  o 93.56568 19.83314 284.0492       105.4490 284.0492       105.4490 0.000000       0.000000 93.56568 19.83314 ?        ?        0.000000       19.83314 
1 1 1 5   39 5  o 221.6886 9.724000 1469.329       126.1192 1469.329       126.1192 0.000000       0.000000 221.6886 9.724000 ?        ?        0.000000       9.724000 
1 1 1 5   39 6  o 146.5538 11.80242 650.3312       100.5850 650.3312       100.5850 0.000000       0.000000 146.5538 11.80242 ?        ?        0.000000       11.80242 
1 1 1 5   39 7  o 48.91037 20.10154 35.11374       92.56283 35.11374       92.56283 0.000000       0.000000 48.91037 20.10154 ?        ?        0.000000       20.10154 
1 1 1 5   39 8  o 72.99790 19.27581 173.6978       83.72861 179.5835       86.08964 70.78897       359.9831 74.15403 19.52896 82.56515 36.78118 -8.411118      41.64415 
1 1 1 5   39 9  o 310.6360 8.517270 2873.110       155.0218 2873.110       155.0218 0.000000       0.000000 310.6360 8.517270 ?        ?        0.000000       8.517270 
1 1 1 5   39 10 o 193.4813 10.16477 1123.953       114.9373 1022.633       212.3274 1165.949       136.6973 178.1765 20.70424 196.2149 11.93538 -18.03831      23.89810 
1 1 1 5   39 11 f 184.2809 10.12547 1020.120       109.0119 1106.292       216.7746 990.9513       126.1193 185.5956 20.24321 180.7716 11.96329 4.824005       23.51399 
1 1 1 5   39 12 o 125.6671 23.37313 528.8907       165.9234 456.6828       217.6965 628.9817       256.3046 110.9701 31.80958 129.1937 33.53719 -18.22360      46.22329 
1 1 1 5   39 13 o 120.1411 11.20818 438.6231       78.06152 993.4957       218.6420 357.5607       83.56929 173.9979 21.91066 107.4865 13.55794 66.51143       25.76616 
1 1 1 5   39 14 o 108.6162 12.52920 362.7811       78.35108 178.5967       196.1952 397.7288       85.46172 76.89301 30.04643 113.5618 13.06989 -36.66884      32.76599 
1 1 1 5   39 15 o 51.41423 24.00122 -108.2936      178.3813 -168.2521      199.0206 136.6419       402.2521 51.39523 24.40454 85.53728 38.43460 -34.14206      45.52802 
1 1 1 5   39 16 o 133.9341 24.70394 618.6974       186.9002 438.6282       207.9549 1375.307       426.2706 107.4016 31.18262 179.2864 41.37959 -71.88477      51.81338 
1 1 1 5   39 17 o 100.4011 29.93702 378.7175       189.5354 424.1469       211.6559 194.8220       425.8409 104.9041 31.71742 88.18916 39.59237 16.71495       50.73017 
1 1 1 5   39 18 o 85.72218 29.06008 268.3954       174.0496 241.0708       188.4421 427.0555       454.0820 82.30518 30.03506 99.77640 42.93374 -17.47121      52.39667 
1 1 1 5   39 19 o 94.70255 31.23589 346.5055       201.2781 299.4675       221.5949 568.3136       481.1985 88.69784 32.53776 106.2469 44.90510 -17.54906      55.45425 
1 1 1 5   39 20 o 91.05605 31.63565 322.5551       206.6203 416.2399       236.9154 24.89970       422.2947 100.7494 33.90498 78.97253 36.88671 21.77683       50.10167 
1 1 1 5   39 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   39 22 o 107.7666 32.56171 475.1531       223.1254 396.3790       268.3890 651.4301       401.4865 95.97391 35.70055 110.9558 43.08804 -14.98187      55.95631 
1 1 1 5   39 23 o 81.83602 30.75547 254.0493       200.2277 210.2982       230.3003 389.5258       405.2589 78.11900 31.86014 92.88808 40.26595 -14.76908      51.34604 
1 1 1 5   39 24 o 67.40957 28.55796 111.4523       195.3838 86.43504       220.6566 202.2817       420.4463 67.40340 29.45787 83.53461 38.22357 -16.13121      48.25772 
1 1 1 5   39 25 o 70.79272 29.33195 150.8546       199.2425 135.6198       218.7021 225.2159       483.1799 70.63920 30.08101 85.12881 39.66046 -14.48962      49.77770 
1 1 1 5   39 26 o 56.77316 26.68879 -90.61839      227.1681 -49.60436      264.1404 -207.1369      445.2113 62.43957 29.16722 69.64708 33.91560 -7.207512      44.73248 
1 1 1 5   39 27 o 62.25724 28.59386 -5.076532      238.2578 35.03529       277.0500 -118.9849      466.8742 67.54211 30.95158 72.83105 35.29527 -5.288948      46.94418 
1 1 1 5   39 28 o 78.41734 32.54337 230.8816       245.8104 518.3375       289.0290 -520.5290      467.2986 102.8622 37.24686 63.40510 31.58234 39.45709       48.83413 
1 1 1 5   40 0  o 134.2947 15.40100 560.7855       119.1071 498.7979       125.4072 1131.642       380.5695 125.5418 17.50834 169.5212 39.07934 -43.97942      42.82215 
1 1 1 5   40 1  o 185.6176 11.27782 1040.354       122.1913 991.5608       128.6681 1488.746       390.0480 180.7496 12.20953 201.2290 34.27794 -20.47943      36.38750 
1 1 1 5   40 2  o 152.8555 13.35433 715.1857       118.5155 715.1857       118.5155 0.000000       0.000000 152.8555 13.35433 ?        ?        0.000000       13.35433 
1 1 1 5   40 3  o 95.24667 19.81085 296.3082       107.0532 296.3082       107.0532 0.000000       0.000000 95.24667 19.81085 ?        ?        0.000000       19.81085 
1 1 1 5   40 4  o 69.31548 22.44631 155.4424       104.1639 155.4424       104.1639 0.000000       0.000000 69.31548 22.44631 ?        ?        0.000000       22.44631 
1 1 1 5   40 5  o 83.33131 21.01168 230.5300       102.6494 230.5300       102.6494 0.000000       0.000000 83.33131 21.01168 ?        ?        0.000000       21.01168 
1 1 1 5   40 6  o 189.1864 10.42908 1076.953       115.2664 1076.953       115.2664 0.000000       0.000000 189.1864 10.42908 ?        ?        0.000000       10.42908 
1 1 1 5   40 7  o 64.37369 21.93395 129.6448       99.16917 129.6448       99.16917 0.000000       0.000000 64.37369 21.93395 ?        ?        0.000000       21.93395 
1 1 1 5   40 8  o 76.39594 19.44112 192.2043       87.30776 192.2043       87.30776 0.000000       0.000000 76.39594 19.44112 ?        ?        0.000000       19.44112 
1 1 1 5   40 9  f 179.7701 17.74602 1023.161       184.6601 1220.326       214.5264 459.2386       362.8070 195.4654 18.95124 105.7253 40.98669 89.74010       45.15594 
1 1 1 5   40 10 o 254.6432 13.83960 1991.722       205.9069 1927.388       238.7411 2178.551       406.8423 248.1420 16.49872 249.4413 28.31054 -1.299255      32.76728 
1 1 1 5   40 11 o 196.3538 10.70041 1165.025       122.7569 1543.219       240.5502 1031.853       142.7428 219.5434 18.86524 183.2365 13.37498 36.30692       23.12547 
1 1 1 5   40 12 o 150.4119 10.84985 686.2256       95.06666 1040.610       220.6157 605.4153       105.3496 177.3778 21.65585 140.2401 12.95522 37.13770       25.23516 
1 1 1 5   40 13 o 190.4375 11.10031 1100.583       123.4388 0.000000       0.000000 1100.583       123.4388 ?        ?        190.4375 11.10031 0.000000       11.10031 
1 1 1 5   40 14 o 139.3674 9.600957 585.9079       77.99458 758.1999       204.8846 556.7091       84.34504 148.5509 24.36074 135.3742 10.71086 13.17676       26.61143 
1 1 1 5   40 15 o 65.03719 27.34439 84.76505       176.9379 -18.46567      203.3709 406.2550       358.8955 60.04028 27.12183 98.36660 39.90061 -38.32632      48.24575 
1 1 1 5   40 16 o 90.50478 29.97354 308.8519       185.2790 347.5868       207.9605 159.7698       407.9831 94.61539 31.76505 84.70027 38.32322 9.915115       49.77637 
1 1 1 5   40 17 o 86.85175 30.69143 284.0219       195.0012 282.6457       220.3279 288.9967       418.9102 86.60235 32.32063 90.74738 40.09068 -4.145027      51.49646 
1 1 1 5   40 18 o 202.7744 17.34971 1320.543       204.3463 1403.375       227.5211 974.9474       464.7343 207.4107 18.91206 131.7912 47.29412 75.61948       50.93525 
1 1 1 5   40 19 o 92.06245 30.60522 332.3693       193.1240 439.5868       216.4115 -86.92967      427.9662 104.1623 32.18472 74.44134 35.47214 29.72095       47.89706 
1 1 1 5   40 20 o 106.2836 32.57481 464.8350       222.2387 551.7181       261.2791 237.5092       422.6310 112.6578 35.45036 86.05991 38.96516 26.59786       52.67838 
1 1 1 5   40 21 o 57.79320 26.81739 -61.88679      217.4962 -96.11083      250.9961 41.26765       435.7580 59.72397 28.06894 78.09804 36.79114 -18.37407      46.27584 
1 1 1 5   40 22 o 64.20023 28.87319 31.44482       227.5823 153.5871       250.9085 -535.3505      540.4997 74.16624 31.91416 68.78265 34.21255 5.383598       46.78688 
1 1 1 5   40 23 o 85.03802 34.02599 294.4611       257.1436 294.4611       257.1436 0.000000       0.000000 85.03802 34.02599 ?        ?        0.000000       34.02599 
1 1 1 5   40 24 o 83.78027 38.98021 224.5004       464.2993 0.000000       0.000000 224.5004       464.2993 ?        ?        83.78027 38.98021 0.000000       38.98021 
1 1 1 5   40 25 o 83.89436 31.94787 288.1730       217.7255 203.7810       249.8182 554.7924       444.0370 76.71075 32.38514 98.15354 42.34761 -21.44279      53.31151 
1 1 1 5   40 26 o 83.74392 32.67313 290.7330       231.7077 302.9451       265.4737 251.6779       474.7497 84.60139 34.31685 84.21033 39.25938 0.3910675      52.14351 
1 1 1 5   41 0  o 78.66544 23.23839 210.2036       114.6318 157.6517       120.3495 724.1801       376.3761 69.88501 24.15127 127.0788 42.73423 -57.19379      49.08664 
1 1 1 5   41 1  o 213.2734 10.33161 1370.142       128.8432 1285.984       136.4630 2061.210       391.0467 206.0485 11.33631 243.0663 27.93922 -37.01787      30.15149 
1 1 1 5   41 2  o 200.2610 10.46276 1209.347       122.4572 1172.287       129.4978 1522.632       376.5149 196.7272 11.27116 202.8900 32.75808 -6.162811      34.64290 
1 1 1 5   41 3  o 67.83183 22.55167 149.5342       104.8578 149.5342       104.8578 0.000000       0.000000 67.83183 22.55167 ?        ?        0.000000       22.55167 
1 1 1 5   41 4  o 56.91380 21.58364 86.56927       99.12164 86.56927       99.12164 0.000000       0.000000 56.91380 21.58364 ?        ?        0.000000       21.58364 
1 1 1 5   41 5  o 55.10298 21.74613 70.59957       103.6484 70.59957       103.6484 0.000000       0.000000 55.10298 21.74613 ?        ?        0.000000       21.74613 
1 1 1 5   41 6  o 129.5917 31.39986 630.1238       236.1112 630.1238       236.1112 0.000000       0.000000 129.5917 31.39986 ?        ?        0.000000       31.39986 
1 1 1 5   41 7  o 108.9510 16.24270 377.6014       100.6196 377.6014       100.6196 0.000000       0.000000 108.9510 16.24270 ?        ?        0.000000       16.24270 
1 1 1 5   41 8  o 176.1940 11.89937 947.2797       122.2392 947.2797       122.2392 0.000000       0.000000 176.1940 11.89937 ?        ?        0.000000       11.89937 
1 1 1 5   41 9  o 253.8451 14.14900 1993.505       209.8086 2186.492       247.1524 1495.680       396.9536 263.9407 16.04218 194.4505 36.13798 69.49025       39.53865 
1 1 1 5   41 10 o 197.3759 10.26073 1177.097       118.3665 1579.983       242.6395 1051.278       135.5954 221.3393 18.87168 185.1407 12.56239 36.19856       22.67055 
1 1 1 5   41 11 o 121.7162 13.78879 461.4299       96.69765 432.4980       217.9246 468.5228       107.9016 105.1346 32.26352 121.7748 15.45616 -16.64017      35.77468 
1 1 1 5   41 12 o 158.0684 11.20771 761.3848       103.2254 313.0082       213.0997 898.8479       117.9925 90.46819 32.07330 171.4583 11.80605 -80.99011      34.17718 
1 1 1 5   41 13 o 211.7516 10.43658 1358.224       129.2097 0.000000       0.000000 1358.224       129.2097 ?        ?        211.7516 10.43658 0.000000       10.43658 
1 1 1 5   41 14 o 174.7887 8.982906 918.9684       91.77441 1044.008       233.8948 896.2145       99.77589 174.5386 23.44175 172.1299 9.925777 2.408737       25.45657 
1 1 1 5   41 15 o 60.82301 17.69457 121.8856       66.90092 347.0798       219.5977 98.84638       70.23986 93.16537 32.59813 55.73524 18.45499 37.43012       37.45964 
1 1 1 5   41 16 o 60.01692 26.76030 15.33064       190.9932 40.08996       223.5767 -51.53121      367.4061 65.13823 29.00418 71.98700 33.87210 -6.848770      44.59330 
1 1 1 5   41 17 o 56.14883 25.93465 -58.47921      199.9577 72.36262       231.4930 -442.9782      396.8370 67.81008 29.88637 62.03729 30.57680 5.772789       42.75670 
1 1 1 5   41 18 o 158.7413 25.12048 899.0096       226.0921 807.8699       269.0701 1117.929       417.0171 141.0361 33.10181 146.8864 44.54371 -5.850296      55.49659 
1 1 1 5   41 19 o 61.02357 27.37439 18.64593       203.1188 -94.59419      238.0201 322.0932       389.6324 58.31848 27.38487 88.66703 38.93665 -30.34855      47.60246 
1 1 1 5   41 20 o 53.80605 25.12126 -81.81310      195.5287 -127.0086      221.5709 77.26034       415.6847 54.74300 25.92263 77.98317 36.48082 -23.24017      44.75302 
1 1 1 5   41 21 o 139.6003 26.98419 725.9911       212.9318 821.1945       243.2276 413.6465       440.5585 145.6983 29.47828 92.15902 40.89357 53.53925       50.41085 
1 1 1 5   41 22 o 95.31976 33.01574 393.8483       224.9615 346.6479       255.8808 554.5164       472.0954 89.00686 34.44405 97.64080 42.86893 -8.633942      54.99216 
1 1 1 5   41 23 o 49.37271 24.15858 -286.2199      233.8392 -268.6932      258.2691 -365.9370      550.8051 52.80823 25.74149 70.97275 35.17011 -18.16452      43.58395 
1 1 1 5   41 24 o 170.0985 26.07275 1067.729       251.8189 1242.597       279.4155 311.3400       581.1230 182.4153 26.92641 87.28262 41.51868 95.13273       49.48568 
1 1 1 5   42 0  o 137.5348 14.97038 593.4178       118.8061 537.7014       124.3416 1177.715       402.6631 129.8318 16.71752 162.9575 41.90058 -33.12570      45.11246 
1 1 1 5   42 1  o 68.22305 29.85602 62.25096       227.3281 62.25096       227.3281 0.000000       0.000000 68.22305 29.85602 ?        ?        0.000000       29.85602 
1 1 1 5   42 2  o 111.1482 18.48991 402.8848       116.2953 402.8848       116.2953 0.000000       0.000000 111.1482 18.48991 ?        ?        0.000000       18.48991 
1 1 1 5   42 3  o 71.98367 23.06649 175.7383       110.1923 175.7383       110.1923 0.000000       0.000000 71.98367 23.06649 ?        ?        0.000000       23.06649 
1 1 1 5   42 4  o 129.3034 15.20356 526.4586       113.0932 526.4586       113.0932 0.000000       0.000000 129.3034 15.20356 ?        ?        0.000000       15.20356 
1 1 1 5   42 5  o 153.0925 12.89868 722.6163       114.7347 722.6163       114.7347 0.000000       0.000000 153.0925 12.89868 ?        ?        0.000000       12.89868 
1 1 1 5   42 6  o 196.8610 20.29749 1273.394       230.9878 1273.394       230.9878 0.000000       0.000000 196.8610 20.29749 ?        ?        0.000000       20.29749 
1 1 1 5   42 7  o 65.11886 21.43400 139.7764       94.79271 139.7764       94.79271 0.000000       0.000000 65.11886 21.43400 ?        ?        0.000000       21.43400 
1 1 1 5   42 8  o 179.5784 22.18703 1086.053       228.7060 1086.053       228.7060 0.000000       0.000000 179.5784 22.18703 ?        ?        0.000000       22.18703 
1 1 1 5   42 9  o 109.2905 17.82051 389.0555       110.2906 323.9382       215.5040 412.1634       128.3767 91.18976 32.26089 110.8564 20.50075 -19.66660      38.22363 
1 1 1 5   42 10 o 80.60624 30.36652 232.1805       195.4539 353.8492       224.8471 -144.0548      395.3919 94.11717 32.98148 71.28333 34.00298 22.83385       47.37068 
1 1 1 5   42 11 o 79.05141 21.38250 215.6119       101.5070 464.9573       225.7384 152.4162       113.6446 106.9563 32.83948 67.57076 23.46278 39.38554       40.36005 
1 1 1 5   42 12 o 76.22473 20.44690 198.8647       93.28754 -311.8694      215.0623 317.2346       103.5350 46.90134 22.99482 97.68727 18.75336 -50.78593      29.67238 
1 1 1 5   42 13 o 105.1001 14.41212 349.9040       86.49729 159.5043       245.7941 376.8159       92.40828 75.16778 31.94530 108.8791 14.85889 -33.71130      35.23193 
1 1 1 5   42 14 o 64.69716 28.40817 59.91257       207.3658 -70.61680      243.4516 404.9337       395.8051 60.40926 28.14664 94.30363 40.32166 -33.89436      49.17387 
1 1 1 5   42 15 o 85.81063 16.64727 241.5588       80.75566 555.3503       249.1843 204.7344       85.36272 113.8329 34.41411 77.74878 18.90597 36.08414       39.26534 
1 1 1 5   42 16 o 62.09531 27.51493 40.76836       198.7589 236.2907       234.3811 -459.8419      375.0371 80.21780 32.35027 59.31562 29.32631 20.90218       43.66431 
1 1 1 5   42 17 f 112.4678 30.98459 510.3132       210.8836 487.1913       255.8714 559.2825       372.3683 104.6268 35.23539 103.4313 41.09090 1.195595       54.12943 
1 1 1 5   42 18 o 75.24651 30.65978 193.5591       213.0319 65.26115       264.1617 432.1973       360.2717 68.82367 31.01637 94.32742 39.29301 -25.50375      50.05952 
1 1 1 5   42 19 o 73.91600 30.67961 180.3148       218.5046 261.5994       280.2946 54.39733       348.8618 82.04769 34.45141 73.02369 33.91187 9.024002       48.34164 
1 1 1 5   42 20 o 50.70606 23.86325 -98.80027      182.5086 -127.7077      224.7359 -42.80797      312.7747 54.58189 25.92220 66.39471 31.24441 -11.81282      40.59771 
1 1 1 5   42 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   42 22 o 63.96367 28.46003 61.09895       214.8570 72.40379       268.0532 40.78393       359.3332 68.54630 31.03404 72.23426 33.83238 -3.687965      45.91014 
1 1 1 5   43 0  o 58.19574 22.87310 88.49521       114.2569 85.87076       119.1749 118.3395       401.8791 58.40157 23.23169 81.59335 37.34837 -23.19179      43.98423 
1 1 1 5   43 1  o 92.70966 21.82305 296.3811       116.6729 276.8990       121.8337 511.8381       405.1625 88.78162 23.16012 102.8796 42.14383 -14.09800      48.08840 
1 1 1 5   43 2  o 107.4077 19.52283 384.1823       118.4497 384.1823       118.4497 0.000000       0.000000 107.4077 19.52283 ?        ?        0.000000       19.52283 
1 1 1 5   43 3  o 143.0213 14.91903 644.8879       123.3008 644.8879       123.3008 0.000000       0.000000 143.0213 14.91903 ?        ?        0.000000       14.91903 
1 1 1 5   43 4  o 139.7840 15.36979 619.1981       123.9251 619.1981       123.9251 0.000000       0.000000 139.7840 15.36979 ?        ?        0.000000       15.36979 
1 1 1 5   43 5  o 124.8878 16.70941 502.3023       119.3178 502.3023       119.3178 0.000000       0.000000 124.8878 16.70941 ?        ?        0.000000       16.70941 
1 1 1 5   43 6  o 79.74378 22.41506 222.5410       109.1666 222.5410       109.1666 0.000000       0.000000 79.74378 22.41506 ?        ?        0.000000       22.41506 
1 1 1 5   43 7  o 88.99805 21.48095 274.0374       110.8310 274.0374       110.8310 0.000000       0.000000 88.99805 21.48095 ?        ?        0.000000       21.48095 
1 1 1 5   43 8  o 91.60707 34.09883 346.1574       244.9245 346.1574       244.9245 0.000000       0.000000 91.60707 34.09883 ?        ?        0.000000       34.09883 
1 1 1 5   43 9  o 64.22723 22.65932 135.5180       106.2569 377.3061       243.7666 78.80029       118.0636 94.68658 34.21727 57.01425 22.97165 37.67233       41.21308 
1 1 1 5   43 10 o 42.37149 19.11020 -26.54943      100.5058 15.55326       222.9477 -37.28809      112.5960 63.07069 28.45262 43.86572 19.95982 19.20497       34.75551 
1 1 1 5   43 11 o 117.5050 17.00807 449.6370       113.8045 328.6444       232.2016 487.8890       130.5607 89.33707 33.21147 121.0444 19.01791 -31.70733      38.27118 
1 1 1 5   43 12 o 80.07636 21.38500 224.3618       102.3236 222.9106       249.5397 224.6551       112.1892 79.41656 32.85834 79.40166 22.85882 0.1490021E-01  40.02744 
1 1 1 5   43 13 o 112.4397 14.58479 402.3115       93.91282 238.1678       249.0567 429.5187       101.3977 80.52161 33.02004 115.7833 15.30710 -35.26167      36.39547 
1 1 1 5   43 14 o 158.3621 10.23966 764.5236       94.59166 809.4736       257.1687 757.4908       101.7227 142.2522 31.64250 157.1022 11.11211 -14.85005      33.53695 
1 1 1 5   43 15 o 146.7011 26.54800 794.5353       220.0040 900.1871       260.2926 530.2666       411.6673 151.6798 30.32132 98.99026 41.66967 52.68956       51.53391 
1 1 1 5   43 16 o 160.2272 24.31185 919.1751       221.2933 752.0702       285.1269 1172.318       350.9346 129.3605 36.17668 161.6302 37.71387 -32.26971      52.25981 
1 1 1 5   43 17 o 62.49348 27.68380 53.99601       201.0714 65.99960       283.3249 41.81576       285.4023 69.47480 31.63170 68.34476 31.35481 1.130043       44.53862 
1 1 1 5   43 18 o 64.57136 28.31000 78.82647       205.2323 74.45619       299.0942 82.71513       282.1324 70.72175 32.31455 70.16570 31.79574 0.5560532      45.33431 
1 1 1 5   43 19 o 55.90887 25.75641 -34.39049      195.3791 152.8587       293.8095 -182.8373      261.6021 74.62732 33.23803 56.11713 27.00258 18.51019       42.82413 
1 1 1 5   43 20 o 64.77950 28.53028 80.51655       210.6095 268.3728       302.6264 -95.92323      293.2866 81.56873 35.07376 62.16819 29.55031 19.40054       45.86272 
1 1 1 5   44 0  o 155.7585 14.27166 763.6276       128.9222 764.7122       134.9214 752.2390       437.2072 155.3264 14.99732 114.3248 44.80022 41.00162       47.24382 
1 1 1 5   44 1  o 71.07302 24.53770 176.2923       124.2198 176.2923       124.2198 0.000000       0.000000 71.07302 24.53770 ?        ?        0.000000       24.53770 
1 1 1 5   44 2  o 111.5203 20.28749 421.6973       127.8018 421.6973       127.8018 0.000000       0.000000 111.5203 20.28749 ?        ?        0.000000       20.28749 
1 1 1 5   44 3  o 142.9764 15.85355 654.7666       130.7042 654.7666       130.7042 0.000000       0.000000 142.9764 15.85355 ?        ?        0.000000       15.85355 
1 1 1 5   44 4  o 106.6013 20.36467 386.9565       122.6772 386.9565       122.6772 0.000000       0.000000 106.6013 20.36467 ?        ?        0.000000       20.36467 
1 1 1 5   44 5  o 71.18867 23.68656 178.1263       115.6720 178.1263       115.6720 0.000000       0.000000 71.18867 23.68656 ?        ?        0.000000       23.68656 
1 1 1 5   44 6  o 141.0168 14.00980 626.3759       114.3347 626.3759       114.3347 0.000000       0.000000 141.0168 14.00980 ?        ?        0.000000       14.00980 
1 1 1 5   44 7  o 106.7097 33.17414 483.0074       229.5214 483.0074       229.5214 0.000000       0.000000 106.7097 33.17414 ?        ?        0.000000       33.17414 
1 1 1 5   44 8  o 109.7189 19.15679 404.1892       118.7866 284.5484       229.3473 448.0490       138.8633 84.41371 32.62478 113.7694 21.60167 -29.35571      39.12811 
1 1 1 5   44 9  o 95.71959 23.03910 327.1473       127.7679 226.4844       243.4514 365.4131       150.1007 79.19385 32.57936 99.23711 25.61643 -20.04326      41.44413 
1 1 1 5   44 10 o 78.29147 25.72390 226.3808       136.5578 597.8193       252.7025 73.17323       162.2953 117.3165 34.46272 60.76094 25.89502 56.55558       43.10720 
1 1 1 5   44 11 o 102.9730 19.98255 362.1007       116.3233 235.6951       257.9448 394.3699       130.3280 79.91342 33.26500 106.3156 21.63885 -26.40215      39.68375 
1 1 1 5   44 12 o 99.91948 29.24145 398.8864       182.2273 164.2309       262.4501 617.3175       253.2146 74.53855 32.35714 118.7726 34.38693 -44.23403      47.21700 
1 1 1 5   44 13 o 94.77637 18.20650 301.8561       97.52216 257.4855       257.5580 309.2822       105.3675 81.04478 33.44254 95.06603 19.55177 -14.02126      38.73855 
1 1 1 5   44 14 o 103.2744 14.08911 340.2328       83.11208 354.5473       263.0280 338.6451       87.60025 89.10603 34.79807 102.4867 15.01993 -13.38070      37.90124 
1 1 1 5   44 15 o 61.17788 19.42734 126.9429       78.30568 288.5437       273.7810 112.5453       81.71951 83.26979 34.43166 58.35508 19.91036 24.91471       39.77388 
1 1 1 5   44 16 o 63.43460 28.02378 65.68854       204.6759 -171.6460      287.3185 310.2173       291.6407 58.96623 28.35434 84.83099 35.34624 -25.86476      45.31363 
1 1 1 5   44 17 o 94.22702 31.98905 384.3070       210.9091 427.7154       311.5193 347.5708       286.5800 92.92778 37.35891 87.31127 35.56627 5.616508       51.58146 
1 1 1 5   45 0  o 85.56686 24.19621 268.2055       126.8124 248.0660       132.2514 498.0572       446.7860 81.80570 25.13926 96.20582 41.98395 -14.40012      48.93500 
1 1 1 5   45 1  o 72.21972 25.09880 186.7699       130.0592 186.7699       130.0592 0.000000       0.000000 72.21972 25.09880 ?        ?        0.000000       25.09880 
1 1 1 5   45 2  o 46.58553 21.04982 -23.85284      122.6035 -23.85284      122.6035 0.000000       0.000000 46.58553 21.04982 ?        ?        0.000000       21.04982 
1 1 1 5   45 3  o 95.83013 23.37161 330.9029       130.1582 330.9029       130.1582 0.000000       0.000000 95.83013 23.37161 ?        ?        0.000000       23.37161 
1 1 1 5   45 4  o 77.91518 23.55777 220.0748       116.7618 220.0748       116.7618 0.000000       0.000000 77.91518 23.55777 ?        ?        0.000000       23.55777 
1 1 1 5   45 5  o 81.34074 22.26893 236.4677       109.3206 236.4677       109.3206 0.000000       0.000000 81.34074 22.26893 ?        ?        0.000000       22.26893 
1 1 1 5   45 6  f 122.2387 16.36478 486.1314       114.3746 486.1314       114.3746 0.000000       0.000000 122.2387 16.36478 ?        ?        0.000000       16.36478 
1 1 1 5   45 7  o 54.33761 25.71281 -114.3291      217.2816 -114.3291      217.2816 0.000000       0.000000 54.33761 25.71281 ?        ?        0.000000       25.71281 
1 1 1 5   45 8  o 67.87647 26.02319 155.4351       145.0967 -225.2061      230.1067 406.6785       186.9471 51.07178 24.75706 100.0825 29.70492 -49.01075      38.66904 
1 1 1 5   45 9  o 94.08414 33.86208 395.5113       238.4403 395.5113       238.4403 0.000000       0.000000 94.08414 33.86208 ?        ?        0.000000       33.86208 
1 1 1 5   45 10 o 125.7676 34.51366 696.2506       262.2374 696.2506       262.2374 0.000000       0.000000 125.7676 34.51366 ?        ?        0.000000       34.51366 
1 1 1 5   45 11 o 87.00240 23.85357 279.0500       125.3279 517.1218       278.5771 218.6376       140.3313 103.3883 36.66948 76.29333 26.08971 27.09497       45.00360 
1 1 1 5   45 12 o 132.0489 14.42328 556.0505       109.8848 561.7180       288.3172 555.0873       118.8556 106.8876 37.35534 130.9149 15.79946 -24.02734      40.55915 
1 1 1 5   45 13 o 74.99445 22.37963 202.8458       105.8868 121.4306       296.9429 214.7064       113.3375 72.66130 32.80256 76.67623 23.21543 -4.014931      40.18661 
1 1 1 5   45 14 o 53.14029 19.69972 85.37955       81.59112 326.9773       300.1911 66.10817       84.78281 85.23251 35.71206 50.28089 19.72094 34.95162       40.79543 
1 1 1 5   46 0  o 76.81038 26.67539 223.7995       146.8993 223.7995       146.8993 0.000000       0.000000 76.81038 26.67539 ?        ?        0.000000       26.67539 
1 1 1 5   46 1  o 116.9636 22.23233 484.0496       146.9327 484.0496       146.9327 0.000000       0.000000 116.9636 22.23233 ?        ?        0.000000       22.23233 
1 1 1 5   46 2  o 74.12583 25.86647 204.1071       138.2114 204.1071       138.2114 0.000000       0.000000 74.12583 25.86647 ?        ?        0.000000       25.86647 
1 1 1 5   46 3  o 172.7106 14.18338 945.9678       142.3998 945.9678       142.3998 0.000000       0.000000 172.7106 14.18338 ?        ?        0.000000       14.18338 
1 1 1 5   46 4  o 199.9174 12.13752 1241.101       141.6381 1241.101       141.6381 0.000000       0.000000 199.9174 12.13752 ?        ?        0.000000       12.13752 
1 1 1 5   46 5  o 59.77627 23.33885 107.1732       118.2964 107.1732       118.2964 0.000000       0.000000 59.77627 23.33885 ?        ?        0.000000       23.33885 
1 1 1 5   46 6  o 103.7381 31.89257 461.2254       212.8227 461.2254       212.8227 0.000000       0.000000 103.7381 31.89257 ?        ?        0.000000       31.89257 
1 1 1 5   46 7  o 94.66905 23.33243 327.0179       128.6999 270.6424       211.0706 360.3827       162.3779 81.43903 31.34463 95.76216 27.47933 -14.32313      41.68452 
1 1 1 5   46 8  o 111.6523 24.01617 455.6961       152.5899 784.6333       245.0416 247.3581       195.0148 138.9560 30.87073 79.00410 30.19924 59.95191       43.18560 
1 1 1 5   46 9  o 110.2852 21.69650 429.7895       135.3310 501.1974       264.7927 404.5427       157.4474 102.1653 35.79223 102.8870 26.06670 -0.7216721     44.27817 
1 1 1 5   46 10 o 116.5906 21.03678 475.4308       138.5531 275.9499       293.4616 532.6524       157.1739 81.31799 34.74313 121.8496 22.83284 -40.53161      41.57431 
1 1 1 5   47 0  o 88.27524 25.89528 301.9558       142.7616 301.9558       142.7616 0.000000       0.000000 88.27524 25.89528 ?        ?        0.000000       25.89528 
1 1 1 5   47 1  o 38.96810 19.12418 -228.9483      149.9012 -228.9483      149.9012 0.000000       0.000000 38.96810 19.12418 ?        ?        0.000000       19.12418 
1 1 1 6   0  0  o 223.5020 9.154685 1472.876       119.5397 1472.876       119.5397 1472.876       119.5397 223.5020 9.154685 223.5020 9.154685 0.000000       0.000000 
1 1 1 6   0  1  o 115.9117 17.83918 421.5898       112.7377 421.5898       112.7377 421.5898       112.7377 115.9117 17.83918 115.9117 17.83918 0.000000       0.000000 
1 1 1 6   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  6  f 586.3781 14.98146 10120.19       514.4478 10120.19       514.4478 10120.19       514.4478 586.3781 14.98146 586.3781 14.98146 0.000000       0.000000 
1 1 1 6   0  7  o 33.13499 20.55093 21.89243       79.68800 21.89243       79.68800 21.89243       79.68800 33.13499 20.55093 33.13499 20.55093 0.000000       0.000000 
1 1 1 6   0  8  o 270.3933 7.254696 2149.740       114.8573 2149.740       114.8573 2149.740       114.8573 270.3933 7.254696 270.3933 7.254696 0.000000       0.000000 
1 1 1 6   0  9  o 122.8512 9.977400 451.7384       70.76040 451.7384       70.76040 451.7384       70.76040 122.8512 9.977400 122.8512 9.977400 0.000000       0.000000 
1 1 1 6   0  10 o 308.8097 7.255296 2802.638       131.2366 2802.638       131.2366 2802.638       131.2366 308.8097 7.255296 308.8097 7.255296 0.000000       0.000000 
1 1 1 6   0  11 o 206.7488 7.456053 1259.003       90.14001 1259.003       90.14001 1259.003       90.14001 206.7488 7.456053 206.7488 7.456053 0.000000       0.000000 
1 1 1 6   0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  13 o 1086.249 18.46378 34706.57       1175.486 34706.57       1175.486 34706.57       1175.486 1086.249 18.46378 1086.249 18.46378 0.000000       0.000000 
1 1 1 6   0  14 o 119.7873 11.98590 433.5733       82.12263 433.5733       82.12263 433.5733       82.12263 119.7873 11.98590 119.7873 11.98590 0.000000       0.000000 
1 1 1 6   0  15 o 204.4879 8.546871 1233.029       102.0922 1233.029       102.0922 1233.029       102.0922 204.4879 8.546871 204.4879 8.546871 0.000000       0.000000 
1 1 1 6   0  16 o 269.5421 8.167910 2137.000       128.8498 2137.000       128.8498 2137.000       128.8498 269.5421 8.167910 269.5421 8.167910 0.000000       0.000000 
1 1 1 6   0  17 o 847.0074 14.72426 21079.18       730.9291 21079.18       730.9291 21079.18       730.9291 847.0074 14.72426 847.0074 14.72426 0.000000       0.000000 
1 1 1 6   0  18 o 212.2499 10.69593 1331.858       132.3671 1331.858       132.3671 1331.858       132.3671 212.2499 10.69593 212.2499 10.69593 0.000000       0.000000 
1 1 1 6   0  19 o 176.1615 13.58388 927.0424       138.3715 927.0424       138.3715 927.0424       138.3715 176.1615 13.58388 176.1615 13.58388 0.000000       0.000000 
1 1 1 6   0  20 o 645.5366 11.90612 12242.72       450.4102 12242.72       450.4102 12242.72       450.4102 645.5366 11.90612 645.5366 11.90612 0.000000       0.000000 
1 1 1 6   0  21 o 1205.730 20.45849 42786.37       1445.747 42786.37       1445.747 42786.37       1445.747 1205.730 20.45849 1205.730 20.45849 0.000000       0.000000 
1 1 1 6   0  22 o 313.4542 8.580479 2889.292       157.4707 2889.292       157.4707 2889.292       157.4707 313.4542 8.580479 313.4542 8.580479 0.000000       0.000000 
1 1 1 6   0  23 o 208.0170 10.01940 1278.848       121.5845 1278.848       121.5845 1278.848       121.5845 208.0170 10.01940 208.0170 10.01940 0.000000       0.000000 
1 1 1 6   0  24 o 463.5143 9.534554 6314.254       258.9400 6314.254       258.9400 6314.254       258.9400 463.5143 9.534554 463.5143 9.534554 0.000000       0.000000 
1 1 1 6   0  25 o 64.19263 26.38708 170.2097       98.19165 170.2097       98.19165 170.2097       98.19165 64.19263 26.38708 64.19263 26.38708 0.000000       0.000000 
1 1 1 6   0  26 o 687.2013 12.26721 13892.16       494.0467 13892.16       494.0467 13892.16       494.0467 687.2013 12.26721 687.2013 12.26721 0.000000       0.000000 
1 1 1 6   0  27 o 20.19650 14.53087 -147.0177      84.43334 -147.0177      84.43334 -147.0177      84.43334 20.19650 14.53087 20.19650 14.53087 0.000000       0.000000 
1 1 1 6   0  28 o 351.1025 8.224964 3625.439       169.1531 3625.439       169.1531 3625.439       169.1531 351.1025 8.224964 351.1025 8.224964 0.000000       0.000000 
1 1 1 6   0  29 o 130.6609 11.97527 514.5948       89.90011 514.5948       89.90011 514.5948       89.90011 130.6609 11.97527 130.6609 11.97527 0.000000       0.000000 
1 1 1 6   0  30 o 416.2264 8.771926 5095.892       213.9142 5095.892       213.9142 5095.892       213.9142 416.2264 8.771926 416.2264 8.771926 0.000000       0.000000 
1 1 1 6   0  31 o 398.2034 8.629091 4664.512       201.3075 4664.512       201.3075 4664.512       201.3075 398.2034 8.629091 398.2034 8.629091 0.000000       0.000000 
1 1 1 6   0  32 o 40.04022 23.99362 49.69463       100.7084 49.69463       100.7084 49.69463       100.7084 40.04022 23.99362 40.04022 23.99362 0.000000       0.000000 
1 1 1 6   0  33 o 510.1849 10.27473 7660.737       307.1504 7660.737       307.1504 7660.737       307.1504 510.1849 10.27473 510.1849 10.27473 0.000000       0.000000 
1 1 1 6   0  34 o 176.3510 12.19562 928.2300       124.7251 928.2300       124.7251 928.2300       124.7251 176.3510 12.19562 176.3510 12.19562 0.000000       0.000000 
1 1 1 6   0  35 o 349.3741 9.129128 3594.802       186.7669 3594.802       186.7669 3594.802       186.7669 349.3741 9.129128 349.3741 9.129128 0.000000       0.000000 
1 1 1 6   0  36 o 260.6520 10.02313 2007.210       152.7045 2007.210       152.7045 2007.210       152.7045 260.6520 10.02313 260.6520 10.02313 0.000000       0.000000 
1 1 1 6   0  37 o 52.29245 28.62224 116.3994       125.5292 116.3994       125.5292 116.3994       125.5292 52.29245 28.62224 52.29245 28.62224 0.000000       0.000000 
1 1 1 6   0  38 o 178.9069 14.35002 963.8930       148.2701 963.8930       148.2701 963.8930       148.2701 178.9069 14.35002 178.9069 14.35002 0.000000       0.000000 
1 1 1 6   0  39 o 162.2023 16.85104 805.2394       155.9830 805.2394       155.9830 805.2394       155.9830 162.2023 16.85104 162.2023 16.85104 0.000000       0.000000 
1 1 1 6   0  40 o 70.88578 32.52902 224.0827       147.8146 224.0827       147.8146 224.0827       147.8146 70.88578 32.52902 70.88578 32.52902 0.000000       0.000000 
1 1 1 6   0  41 o 60.09684 29.88716 164.7057       127.5510 164.7057       127.5510 164.7057       127.5510 60.09684 29.88716 60.09684 29.88716 0.000000       0.000000 
1 1 1 6   0  42 o 186.4365 13.15862 1047.837       142.2001 1047.837       142.2001 1047.837       142.2001 186.4365 13.15862 186.4365 13.15862 0.000000       0.000000 
1 1 1 6   0  43 o 57.81573 29.48617 155.5025       125.8025 155.5025       125.8025 155.5025       125.8025 57.81573 29.48617 57.81573 29.48617 0.000000       0.000000 
1 1 1 6   0  44 o 212.7073 11.21920 1353.893       139.0625 1353.893       139.0625 1353.893       139.0625 212.7073 11.21920 212.7073 11.21920 0.000000       0.000000 
1 1 1 6   0  45 o 50.32106 28.33713 113.7463       127.1891 113.7463       127.1891 113.7463       127.1891 50.32106 28.33713 50.32106 28.33713 0.000000       0.000000 
1 1 1 6   0  46 o 119.9353 20.40650 474.4923       131.0686 474.4923       131.0686 474.4923       131.0686 119.9353 20.40650 119.9353 20.40650 0.000000       0.000000 
1 1 1 6   0  47 o 98.05734 27.59848 362.5858       137.3859 362.5858       137.3859 362.5858       137.3859 98.05734 27.59848 98.05734 27.59848 0.000000       0.000000 
1 1 1 6   0  48 o 45.54345 27.37450 81.68909       131.8780 81.68909       131.8780 81.68909       131.8780 45.54345 27.37450 45.54345 27.37450 0.000000       0.000000 
1 1 1 6   0  49 o 32.16795 22.05641 -68.19524      133.4187 -68.19524      133.4187 -68.19524      133.4187 32.16795 22.05641 32.16795 22.05641 0.000000       0.000000 
1 1 1 6   0  50 o 32.44882 22.57064 -107.8697      152.5702 -107.8697      152.5702 -107.8697      152.5702 32.44882 22.57064 32.44882 22.57064 0.000000       0.000000 
1 1 1 6   0  51 o 50.32750 30.68292 106.4248       170.6787 106.4248       170.6787 106.4248       170.6787 50.32750 30.68292 50.32750 30.68292 0.000000       0.000000 
1 1 1 6   1  0  o 276.6023 7.607617 2246.729       123.2941 2256.615       209.7708 2241.510       152.3959 276.8375 12.95615 276.1755 9.422673 0.6619568      16.02025 
1 1 1 6   1  1  o 238.4171 9.229605 1670.998       128.8101 1686.793       179.4682 1654.217       184.9870 239.2668 12.83652 236.8900 13.36935 2.376801       18.53417 
1 1 1 6   1  2  o 294.2559 13.51518 2549.931       232.6142 2549.931       232.6142 0.000000       0.000000 294.2559 13.51518 ?        ?        0.000000       13.51518 
1 1 1 6   1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   1  5  o 534.1609 14.00780 8396.078       438.4476 8396.078       438.4476 0.000000       0.000000 534.1609 14.00780 ?        ?        0.000000       14.00780 
1 1 1 6   1  6  f 90.19228 13.29906 244.3119       68.23773 191.4914       97.62457 294.7723       95.41869 79.11176 20.77780 98.63375 17.11553 -19.52199      26.91948 
1 1 1 6   1  7  o 577.0895 8.533765 9778.739       288.8247 9488.177       478.9923 9944.742       362.0476 567.5759 14.40141 581.7567 10.61143 -14.18073      17.88863 
1 1 1 6   1  8  f 123.8407 7.539998 451.9232       54.50320 481.1804       92.75533 436.4940       67.35858 127.2722 12.59152 121.5190 9.527575 5.753166       15.78990 
1 1 1 6   1  9  o 453.2647 6.183679 6029.703       164.3801 5951.047       229.3773 6112.746       235.6883 450.1111 8.689210 456.1744 8.809608 -6.063385      12.37383 
1 1 1 6   1  10 o 113.8606 7.417518 382.2210       49.26199 453.9095       71.23302 316.5077       68.19987 123.8936 9.885448 103.1153 11.47139 20.77834       15.14314 
1 1 1 6   1  11 o 414.0859 5.867950 5031.396       142.5041 5057.847       202.0580 5005.218       201.0086 415.0358 8.301184 412.8708 8.301373 2.164948       11.73978 
1 1 1 6   1  12 o 175.1630 5.805306 901.1838       59.55491 936.8627       84.76337 866.3999       83.69354 178.4650 8.119772 171.5926 8.341535 6.872406       11.64096 
1 1 1 6   1  13 f 879.6887 10.69580 22725.63       551.8142 22538.70       771.0373 22921.91       790.0773 875.4399 15.01753 882.8093 15.25992 -7.369385      21.41007 
1 1 1 6   1  14 o 201.7872 5.854548 1195.453       69.21149 1153.066       97.04109 1239.337       98.74069 198.0463 8.373740 205.3435 8.215658 -7.297119      11.73101 
1 1 1 6   1  15 o 280.8648 5.550503 2313.898       91.42822 2299.005       127.2521 2329.789       131.4481 279.8123 7.761884 281.6709 7.965224 -1.858551      11.12167 
1 1 1 6   1  16 o 102.0997 10.47248 309.2092       61.82043 206.3971       89.75481 402.0077       85.27193 82.12160 19.01154 116.3081 12.70754 -34.18653      22.86745 
1 1 1 6   1  17 o 224.3260 6.410908 1477.444       84.25663 1465.259       119.0622 1489.668       119.2518 223.2583 9.112329 225.1170 9.050914 -1.858688      12.84343 
1 1 1 6   1  18 o 146.0309 14.86822 633.2214       125.5628 703.7900       156.6789 506.5357       209.9271 153.6630 17.70915 128.3939 28.61085 25.26915       33.64810 
1 1 1 6   1  19 o 245.4642 7.638125 1769.698       109.8238 1716.869       156.7311 1820.660       153.9354 241.5486 11.09331 248.7957 10.57393 -7.247086      15.32545 
1 1 1 6   1  20 o 289.5970 6.740511 2460.645       114.4821 2319.513       160.5035 2606.806       163.3379 280.9155 9.757039 297.8508 9.362189 -16.93530      13.52222 
1 1 1 6   1  21 f 1101.069 13.24484 35634.37       855.2868 35952.22       1224.192 35331.27       1195.437 1104.629 18.89656 1095.125 18.61283 9.503296       26.52390 
1 1 1 6   1  22 f 496.0787 6.937018 7221.872       201.8245 7191.812       284.1355 7252.482       286.7281 494.8600 9.790223 496.9393 9.838220 -2.079285      13.87945 
1 1 1 6   1  23 o 167.0279 7.945322 820.8898       77.60758 768.7412       107.9829 876.6050       111.6145 161.3092 11.48941 172.3470 11.10153 -11.03778      15.97656 
1 1 1 6   1  24 o 176.9039 7.677866 920.5836       79.46815 845.9375       110.8898 999.3956       113.9422 169.2468 11.23534 184.0849 10.59878 -14.83818      15.44561 
1 1 1 6   1  25 o 371.3965 6.035262 4048.537       131.4572 4218.146       192.5780 3900.545       179.8872 378.9102 8.666026 364.3859 8.417600 14.52429       12.08122 
1 1 1 6   1  26 o 148.9478 7.925842 653.6133       68.98645 700.1735       98.97372 609.6187       96.20818 153.8522 11.04240 143.4434 11.53331 10.40886       15.96721 
1 1 1 6   1  27 o 441.5352 6.369585 5724.717       164.9404 5695.521       231.5668 5754.783       234.9928 440.1078 8.971533 442.3798 9.057509 -2.272003      12.74860 
1 1 1 6   1  28 o 143.5520 8.664639 608.2017       72.60785 620.5813       95.28983 591.0642       112.1159 144.6856 11.31982 140.8104 13.75137 3.875214       17.81119 
1 1 1 6   1  29 o 186.7893 8.051090 1027.841       87.99062 1061.735       102.5820 933.4700       171.1706 189.7125 9.247729 176.6039 16.72573 13.10857       19.11205 
1 1 1 6   1  30 o 304.5768 5.727919 2724.377       102.3162 2737.009       143.9980 2711.497       145.4061 304.9525 8.058507 303.5105 8.176250 1.441956       11.48001 
1 1 1 6   1  31 o 403.7470 6.191247 4788.831       146.6013 4746.151       203.8187 4834.578       211.0200 401.5958 8.653749 405.2819 8.878013 -3.686096      12.39784 
1 1 1 6   1  32 o 392.6044 6.250615 4528.266       143.9224 4663.127       207.5030 4403.243       199.7901 398.0331 8.889033 386.7958 8.807279 11.23737       12.51332 
1 1 1 6   1  33 o 258.1089 6.916408 1959.321       104.6026 2064.698       152.4069 1865.475       143.8266 264.5710 9.839411 251.4753 9.770584 13.09573       13.86645 
1 1 1 6   1  34 o 484.9581 7.131302 6913.719       202.8260 7036.084       292.5486 6800.460       281.4517 488.5928 10.20940 480.3942 9.989773 8.198578       14.28382 
1 1 1 6   1  35 o 145.3620 10.22559 626.1905       86.61831 603.2770       122.2851 649.2633       122.7096 141.8155 14.92632 147.2887 14.38887 -5.473160      20.73246 
1 1 1 6   1  36 o 294.7304 6.890996 2554.739       119.1125 2637.890       171.3504 2476.988       165.6931 298.8853 9.788507 289.6205 9.768917 9.264709       13.82919 
1 1 1 6   1  37 o 308.8967 6.984137 2807.693       126.5250 3018.401       183.2169 2615.600       174.9370 319.6000 9.786340 297.4290 10.04318 22.17099       14.02276 
1 1 1 6   1  38 o 39.45794 17.66830 -34.31605      84.19955 -46.15406      119.4456 -22.62337      118.7101 46.97156 21.03745 49.00389 21.50642 -2.032330      30.08489 
1 1 1 6   1  39 o 297.1810 10.66829 2618.871       185.6356 2733.651       333.1945 2567.206       223.5443 300.0518 19.03246 293.4341 13.02224 6.617767       23.06108 
1 1 1 6   1  40 o 309.1595 7.369241 2818.457       133.6152 2868.095       190.4853 2770.377       187.4716 310.8217 10.46452 305.4695 10.47999 5.352264       14.81001 
1 1 1 6   1  41 o 61.57978 21.04138 110.7750       91.27387 81.71879       129.5369 139.4256       128.6294 61.95676 24.35359 69.78274 24.89993 -7.825977      34.82964 
1 1 1 6   1  42 o 39.73018 17.86794 -34.29822      87.15374 -23.01256      126.7474 -44.42009      120.0344 49.68842 21.99706 46.41449 20.91343 3.273933       30.35197 
1 1 1 6   1  43 o 122.1563 12.80191 454.7148       90.35446 465.0331       131.8857 445.5883       124.0362 120.8247 19.25786 118.6098 18.42909 2.214966       26.65514 
1 1 1 6   1  44 o 91.15174 17.47279 265.4032       90.00836 164.1714       132.6501 351.7823       122.5331 72.31184 25.33319 103.7005 20.87083 -31.38868      32.82320 
1 1 1 6   1  45 o 66.94222 20.07993 146.3332       85.07655 203.1268       127.6570 100.9523       114.1120 77.57426 24.82408 61.00008 23.15248 16.57418       33.94514 
1 1 1 6   1  46 o 414.9364 7.985022 5127.016       194.3158 5318.800       258.8243 4879.285       294.1633 420.2928 10.50032 400.1485 12.55030 20.14435       16.36358 
1 1 1 6   1  47 o 28.88972 14.30000 -191.8352      90.11499 -120.2715      133.5448 -251.6642      122.1057 42.55422 20.14319 33.60362 16.63556 8.950600       26.12451 
1 1 1 6   1  48 o 201.8180 9.726368 1229.749       114.7838 1216.726       121.1471 1344.036       358.8902 200.3680 10.34444 184.0012 34.52537 16.36673       36.04176 
1 1 1 6   1  49 o 131.5918 14.12919 543.7058       107.3369 589.5589       111.9270 18.80602       378.6943 137.0789 14.12434 75.53605 35.16445 61.54290       37.89505 
1 1 1 6   1  50 o 65.58485 23.63789 142.0006       116.2383 173.8243       165.8724 111.2927       162.9384 72.02656 27.76968 64.99183 26.68598 7.034729       38.51359 
1 1 1 6   1  51 o 59.98867 23.42553 103.7355       119.1923 180.8517       173.3981 34.65804       164.1117 72.63785 28.28612 57.65121 25.29460 14.98663       37.94629 
1 1 1 6   2  0  o 346.0645 8.239658 3514.666       167.2310 3460.275       282.4724 3544.017       207.5035 342.8250 14.07921 347.2831 10.19911 -4.458099      17.38522 
1 1 1 6   2  1  f 208.8495 8.936762 1282.610       109.2091 1302.390       152.4307 1261.748       156.5414 210.1877 12.42097 206.8199 12.97116 3.367783       17.95916 
1 1 1 6   2  2  o 98.77606 17.77591 295.9224       99.18944 295.9224       99.18944 0.000000       0.000000 98.77606 17.77591 ?        ?        0.000000       17.77591 
1 1 1 6   2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   2  6  o 695.2303 12.22250 14208.46       498.3554 14750.25       740.5751 13760.07       673.7209 707.1512 17.87123 683.4239 16.80890 23.72729       24.53406 
1 1 1 6   2  7  o 53.73964 15.46479 86.92389       51.35870 129.8824       86.16487 63.25137       63.96282 66.25204 20.27901 49.70253 17.57643 16.54951       26.83597 
1 1 1 6   2  8  o 405.0813 6.602914 4816.228       156.8658 4778.714       268.3825 4835.693       193.3265 402.9757 11.36734 405.8026 8.123178 -2.826935      13.97149 
1 1 1 6   2  9  o 266.4290 4.995664 2082.704       78.05940 2030.739       109.9464 2135.521       110.8444 262.9109 7.137136 269.6216 7.015807 -6.710724      10.00801 
1 1 1 6   2  10 o 518.0560 6.798502 7877.774       206.5573 7813.224       289.0725 7945.117       295.2578 515.6803 9.558193 520.0015 9.681583 -4.321167      13.60486 
1 1 1 6   2  11 o 417.2363 5.895454 5108.200       144.2613 5127.950       204.5408 5088.651       203.4959 417.9054 8.345481 416.3017 8.334833 1.603729       11.79477 
1 1 1 6   2  12 o 531.4934 6.944448 8289.700       216.4642 8219.558       302.8116 8363.002       309.5531 529.0486 9.759473 533.6344 9.891013 -4.585754      13.89530 
1 1 1 6   2  13 o 448.7229 6.236194 5907.286       164.1150 6091.120       239.1151 5743.563       225.6566 455.5343 8.950254 442.3594 8.698056 13.17490       12.48051 
1 1 1 6   2  14 o 295.0707 5.454914 2553.927       94.39837 2535.116       131.1743 2574.134       135.9528 293.8398 7.618231 296.0830 7.836212 -2.243195      10.92903 
1 1 1 6   2  15 o 943.9285 11.42268 26160.31       632.3504 26147.31       893.0060 26173.38       895.5566 943.1051 16.14521 943.5695 16.18336 -0.4644165     22.85977 
1 1 1 6   2  16 o 185.0937 6.643346 1006.343       71.99861 962.3919       102.6320 1048.932       101.0297 180.8196 9.713679 188.8345 9.149807 -8.014847      13.34446 
1 1 1 6   2  17 o 467.9435 6.688936 6423.938       183.5697 6237.017       251.7937 6636.002       268.1954 460.9886 9.313310 475.4913 9.617413 -14.50262      13.38777 
1 1 1 6   2  18 o 283.3698 6.708445 2355.774       111.4874 2293.890       159.7147 2414.583       155.6962 279.3792 9.762665 286.6737 9.272810 -7.294525      13.46457 
1 1 1 6   2  19 o 799.6959 10.01518 18774.16       469.7148 18557.15       654.1013 19005.22       674.9429 794.6285 14.03558 804.1292 14.31168 -9.500732      20.04549 
1 1 1 6   2  20 o 187.7373 8.285551 1036.407       91.00210 1049.261       136.0609 1026.003       122.4113 188.5808 12.37058 186.5713 11.23944 2.009460       16.71396 
1 1 1 6   2  21 o 791.2365 9.817179 18382.27       455.5578 18321.84       641.9030 18443.60       646.6352 789.4236 13.86465 792.0341 13.92082 -2.610535      19.64734 
1 1 1 6   2  22 o 703.0095 8.868211 14510.64       365.6349 14595.62       520.9789 14428.17       513.2789 704.6148 12.60718 700.5772 12.49243 4.037598       17.74829 
1 1 1 6   2  23 o 147.1526 8.878906 638.2181       76.26982 663.6426       113.3883 617.2094       103.0719 149.6361 13.05101 144.3570 12.29131 5.279068       17.92778 
1 1 1 6   2  24 o 270.8621 6.007661 2153.079       95.43423 2270.384       138.3856 2046.697       131.7849 277.9036 8.500751 263.8430 8.527871 14.06061       12.04107 
1 1 1 6   2  25 o 266.5547 6.007682 2085.433       93.91690 2119.981       134.0846 2052.161       131.5877 268.4926 8.526032 264.1606 8.504778 4.332001       12.04261 
1 1 1 6   2  26 o 483.3567 6.714433 6860.340       190.3389 6794.495       265.7311 6929.719       272.7666 480.7151 9.425493 485.4536 9.580604 -4.738495      13.43979 
1 1 1 6   2  27 o 488.9976 9.496099 7033.711       272.3344 7016.208       395.6863 7049.465       375.3924 487.3419 13.85824 488.6856 13.10985 -1.343689      19.07666 
1 1 1 6   2  28 o 573.7051 7.524258 9672.602       253.1646 9765.041       361.9114 9584.024       354.2684 575.7964 10.71724 570.4644 10.58896 5.331970       15.06603 
1 1 1 6   2  29 f 210.9823 6.128151 1308.515       75.74703 1378.235       107.2823 1239.209       106.9634 216.2974 8.473584 205.0285 8.916823 11.26894       12.30087 
1 1 1 6   2  30 o 325.9652 8.084064 3125.119       154.5438 3053.918       196.2250 3241.433       250.7987 321.7472 10.41265 330.9538 12.94631 -9.206604      16.61416 
1 1 1 6   2  31 o 362.3197 6.019967 3856.137       127.9195 3784.700       177.7470 3932.888       184.2385 358.6485 8.450504 365.5814 8.593019 -6.932892      12.05201 
1 1 1 6   2  32 o 30.71449 14.45772 -72.59594      67.05140 -226.1874      95.25082 78.27931       94.40483 29.35949 14.56227 57.38490 21.20536 -28.02541      25.72405 
1 1 1 6   2  33 o 332.8379 6.523936 3254.989       127.3482 3510.646       188.7625 3041.421       172.5259 345.1789 9.332968 321.2939 9.165273 23.88492       13.08077 
1 1 1 6   2  34 o 268.6851 6.856455 2123.213       107.9540 2080.718       153.7402 2164.544       151.6218 265.5559 9.888721 270.9138 9.557868 -5.357880      13.75280 
1 1 1 6   2  35 o 624.0568 11.79796 11507.71       431.7987 11500.78       591.8076 11515.59       631.4273 621.5474 16.24907 621.2993 17.34591 0.2481079      23.76790 
1 1 1 6   2  36 o 155.0388 10.06139 712.2407       90.99067 656.1854       132.5744 762.1617       125.1102 147.7032 15.53689 159.7653 13.47801 -12.06204      20.56822 
1 1 1 6   2  37 o 122.8679 12.38443 451.9048       88.02467 544.7758       126.1255 363.7115       122.9082 134.0874 16.37804 108.2192 20.10530 25.86822       25.93190 
1 1 1 6   2  38 o 193.9598 8.222215 1110.981       93.31786 1088.450       128.3183 1136.275       135.9554 191.3393 11.48785 195.4111 11.91976 -4.071793      16.55450 
1 1 1 6   2  39 o 207.5791 8.330614 1273.285       101.2111 1141.044       142.0620 1409.594       144.2308 195.5468 12.45199 217.7321 11.33399 -22.18533      16.83780 
1 1 1 6   2  40 o 183.2713 13.41995 1008.407       143.2434 1294.936       305.6336 927.7521       162.1556 201.5839 26.49265 174.8938 15.98567 26.69011       30.94192 
1 1 1 6   2  41 o 322.0819 7.064951 3061.795       133.4523 3036.268       187.0743 3088.246       190.4306 319.5521 9.994388 322.2361 10.08899 -2.683960      14.20125 
1 1 1 6   2  42 o 185.9320 9.110447 1029.320       99.04218 1030.578       141.6301 1028.117       138.5541 184.5396 13.17288 184.4388 12.89019 0.1007996      18.43046 
1 1 1 6   2  43 o 150.2600 10.56978 678.3615       92.55085 702.8038       138.8351 658.8121       124.1637 150.7124 15.94894 146.4705 14.65060 4.241882       21.65660 
1 1 1 6   2  44 o 110.3608 14.19214 376.5654       89.73332 363.1797       129.7022 388.8545       124.2758 104.9302 21.78980 109.5297 20.08658 -4.599533      29.63556 
1 1 1 6   2  45 o 25.80263 12.90224 -212.7493      81.33371 -245.3505      128.2380 -190.8097      105.1997 35.38268 17.42826 32.77516 16.07181 2.607517       23.70753 
1 1 1 6   2  46 o 131.7919 16.65505 550.4232       125.8620 497.0487       135.9088 871.9193       333.5557 123.5698 19.39130 145.2291 38.53141 -21.65930      43.13574 
1 1 1 6   2  47 o 47.42929 19.71574 32.38209       90.43057 35.52094       93.92799 -7.427723      334.5069 48.48680 20.11903 73.27524 33.73679 -24.78844      39.28036 
1 1 1 6   2  48 o 83.89903 21.30633 241.7745       105.0166 287.7842       110.1246 -219.9567      348.8624 91.91568 20.90282 65.15471 31.30784 26.76097       37.64450 
1 1 1 6   2  49 o 62.70435 22.44823 125.7931       104.6346 146.2347       108.6910 -132.8374      386.6120 66.25478 22.94897 70.36433 33.58086 -4.109558      40.67345 
1 1 1 6   2  50 o 43.28444 19.65752 -34.44937      108.5613 -52.63325      111.9239 254.6022       446.2388 42.43866 19.53036 86.84007 39.59961 -44.40141      44.15387 
1 1 1 6   2  51 o 57.90998 23.24836 86.92485       120.4578 28.78597       174.3213 140.0556       166.6441 58.34998 25.81597 67.82469 27.30416 -9.474709      37.57634 
1 1 1 6   3  0  o 234.6801 8.659707 1618.691       118.9829 1537.091       162.9226 1711.952       174.1749 228.4154 12.20634 241.0794 12.36025 -12.66400      17.37154 
1 1 1 6   3  1  o 428.9470 11.38774 5407.972       286.2250 5546.097       409.9013 5276.538       399.8523 433.8926 16.13629 423.2017 16.13981 10.69086       22.82265 
1 1 1 6   3  2  o 189.0480 9.037880 1051.492       99.91470 1095.713       139.9244 1005.489       142.7185 192.7127 12.44691 184.4912 13.27912 8.221451       18.20057 
1 1 1 6   3  3  o 493.7236 17.85962 7187.828       516.2861 7187.828       516.2861 0.000000       0.000000 493.7236 17.85962 ?        ?        0.000000       17.85962 
1 1 1 6   3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   3  5  o 243.9424 10.65647 1751.412       152.0905 1751.412       152.0905 0.000000       0.000000 243.9424 10.65647 ?        ?        0.000000       10.65647 
1 1 1 6   3  6  o 110.5485 16.10882 367.4475       101.3711 367.4475       101.3711 0.000000       0.000000 110.5485 16.10882 ?        ?        0.000000       16.10882 
1 1 1 6   3  7  o 152.8925 6.878105 687.5184       61.51657 657.8318       107.9141 701.8091       74.87330 149.0284 12.46088 154.3734 8.300494 -5.344971      14.97236 
1 1 1 6   3  8  o 390.8218 6.504820 4483.090       149.0955 4612.978       264.9363 4422.889       180.3676 395.9010 11.42243 388.1026 7.924309 7.798370       13.90204 
1 1 1 6   3  9  o 743.7994 9.152830 16253.18       399.2655 16330.45       568.5762 16178.01       560.7975 744.8597 13.01558 741.4000 12.89742 3.459717       18.32345 
1 1 1 6   3  10 o 325.2942 5.173635 3104.670       98.70124 3066.020       139.5984 3143.304       139.5709 323.1704 7.365431 327.2228 7.272787 -4.052338      10.35099 
1 1 1 6   3  11 o 212.5699 5.178294 1325.668       64.55634 1252.466       89.85329 1403.768       92.81145 206.4312 7.433919 218.5713 7.250357 -12.14009      10.38416 
1 1 1 6   3  12 o 705.2836 8.759711 14602.82       362.3298 14722.53       517.2333 14487.48       507.7226 707.7610 12.46090 702.1053 12.33030 5.655701       17.53027 
1 1 1 6   3  13 o 438.8812 6.173419 5650.832       158.8998 5743.085       227.5812 5563.079       221.9607 442.3465 8.772498 435.3627 8.693093 6.983795       12.35017 
1 1 1 6   3  14 o 783.1508 9.643444 18002.19       442.9228 18062.45       627.8410 17942.50       624.9440 784.0850 13.65325 781.4791 13.63557 2.605835       19.29611 
1 1 1 6   3  15 o 813.2018 9.981967 19410.28       476.0636 19419.17       672.7330 19401.36       673.7795 813.0012 14.10915 812.6251 14.13764 0.3760986      19.97351 
1 1 1 6   3  16 o 353.2263 5.926112 3659.938       122.7647 3469.307       166.1485 3889.155       182.1890 343.8499 8.239045 364.0532 8.533100 -20.20325      11.86152 
1 1 1 6   3  17 o 332.3019 6.138347 3239.298       119.6285 3143.565       165.6089 3343.759       172.9932 327.1801 8.638261 337.4383 8.748844 -10.25818      12.29479 
1 1 1 6   3  18 o 743.9744 9.423668 16246.00       411.1767 16002.54       569.3092 16511.49       594.4911 738.0485 13.15263 749.6541 13.52178 -11.60553      18.86347 
1 1 1 6   3  19 o 361.3889 6.937464 3831.852       147.0368 3977.503       215.5432 3705.077       201.0912 367.9492 9.997667 355.1378 9.663833 12.81134       13.90478 
1 1 1 6   3  20 o 685.1120 8.785711 13777.21       353.0117 13781.09       500.7788 13773.39       497.7032 684.8745 12.46765 684.6910 12.39439 0.1835327      17.58019 
1 1 1 6   3  21 o 601.3721 7.891510 10614.05       278.3261 10811.64       401.6753 10431.56       386.0166 606.6709 11.28942 595.9343 11.04478 10.73663       15.79361 
1 1 1 6   3  22 o 1074.650 12.93817 33957.72       815.4368 33976.32       1154.112 33939.18       1152.294 1073.472 18.33187 1072.891 18.31290 0.5810547      25.91176 
1 1 1 6   3  23 o 684.8740 8.686608 13774.32       348.9084 13790.24       494.3557 13758.51       492.5114 684.7710 12.30959 683.9880 12.27771 0.7830200      17.38586 
1 1 1 6   3  24 o 216.3580 6.601864 1375.281       83.67230 1557.448       126.4126 1233.245       111.6235 230.0439 9.389509 204.6664 9.323971 25.37752       13.23251 
1 1 1 6   3  25 o 572.9274 7.540771 9639.793       253.3762 9911.249       368.7706 9397.047       348.7252 580.4781 10.83228 565.2693 10.51907 15.20886       15.09931 
1 1 1 6   3  26 o 183.2663 8.137931 988.8174       87.24946 1026.130       167.2802 974.8734       102.2609 185.7512 15.49650 181.8221 9.624144 3.929138       18.24187 
1 1 1 6   3  27 o 213.0847 6.278665 1334.437       78.37836 1340.617       113.8442 1328.868       108.0686 213.3138 9.121057 212.4212 8.693001 0.8925781      12.60008 
1 1 1 6   3  28 o 30.40321 14.04018 -47.24665      58.56101 -10.45690      89.18211 -75.13455      77.64656 43.73928 18.92490 33.82577 15.80519 9.913509       24.65676 
1 1 1 6   3  29 o 261.1383 5.793501 2002.610       88.72831 1984.925       127.6767 2019.129       123.3944 259.6398 8.395784 261.9135 8.042699 -2.273712      11.62644 
1 1 1 6   3  30 o 289.1381 5.884899 2455.428       99.79179 2425.953       142.9379 2483.455       139.3830 287.0232 8.500779 290.4513 8.190678 -3.428101      11.80468 
1 1 1 6   3  31 o 178.7608 8.246502 942.0695       86.22256 964.8837       134.9694 926.3394       112.0723 180.2411 12.85258 176.9129 10.85385 3.328217       16.82245 
1 1 1 6   3  32 f 184.4826 7.992224 1002.864       86.26648 1173.583       128.9634 864.6142       116.0537 199.1753 11.08400 170.7767 11.65713 28.39865       16.08552 
1 1 1 6   3  33 o 566.4172 7.764667 9434.479       257.9347 9450.990       368.2768 9418.582       361.3708 566.0836 11.09285 565.1672 10.90249 0.9163208      15.55364 
1 1 1 6   3  34 o 75.10461 21.62925 173.1895       100.4281 164.0308       110.9758 214.6159       236.0199 73.96033 23.07930 91.18110 33.55800 -17.22076      40.72829 
1 1 1 6   3  35 o 278.3492 6.801681 2277.811       111.0342 2374.615       162.5157 2193.065       152.0576 283.6474 9.784008 272.6222 9.524981 11.02515       13.65475 
1 1 1 6   3  36 o 140.2249 10.62965 583.9841       86.76561 537.9669       129.7104 621.2487       116.7246 133.2175 16.98805 144.0081 13.99690 -10.79053      22.01152 
1 1 1 6   3  37 o 321.2784 6.549660 3036.160       123.4101 2999.807       172.3513 3074.411       176.7900 318.7343 9.229810 322.6468 9.352729 -3.912445      13.14013 
1 1 1 6   3  38 o 33.03082 15.66172 -96.02927      81.38981 -53.16053      118.1196 -134.7817      112.3055 46.04505 20.74655 38.49892 18.29570 7.546124       27.66138 
1 1 1 6   3  39 o 373.2426 6.858317 4102.293       150.1272 4061.445       209.5274 4145.388       215.2104 370.4971 9.651070 374.2523 9.813481 -3.755157      13.76400 
1 1 1 6   3  40 o 116.7834 13.78194 413.1965       92.57743 502.9212       130.2876 321.6964       131.5703 127.7197 17.88324 100.1828 22.89468 27.53690       29.05128 
1 1 1 6   3  41 o 35.16701 16.59161 -93.43027      89.22328 -133.9242      130.3363 -57.71817      122.3990 42.28361 19.98058 46.04605 20.89632 -3.762440      28.91159 
1 1 1 6   3  42 o 63.63511 20.62434 125.0900       87.92922 34.87140       122.7262 220.2487       126.0415 54.78587 22.88599 81.89260 24.41166 -27.10674      33.46188 
1 1 1 6   3  43 o 147.1211 10.45689 650.1978       89.63722 675.8176       128.7739 626.1158       124.8495 148.1759 15.02586 142.5086 15.17104 5.667313       21.35268 
1 1 1 6   3  44 o 134.2090 11.11319 544.5397       86.68892 618.4115       129.6537 484.8154       116.5792 140.9350 15.96710 124.4197 16.37350 16.51532       22.87007 
1 1 1 6   3  45 o 80.28481 18.51567 210.7263       85.40179 184.1476       88.51669 568.5568       324.7856 74.62422 19.87233 116.4813 39.69408 -41.85706      44.39065 
1 1 1 6   3  46 o 234.8550 8.520741 1648.304       117.1675 1636.678       123.6456 1750.610       366.7949 233.7518 9.036326 221.9339 28.86367 11.81792       30.24511 
1 1 1 6   3  47 o 49.93315 20.17397 49.48035       91.33334 78.30299       94.94686 -307.7061      334.2422 54.75184 21.03577 61.66119 29.87783 -6.909355      36.54023 
1 1 1 6   3  48 o 169.7539 11.66190 882.2114       115.3965 941.8818       122.4920 411.4589       344.0522 175.2137 11.99266 97.06094 39.17634 78.15276       40.97084 
1 1 1 6   3  49 o 127.6534 15.41818 518.5083       113.0937 504.2882       118.6782 659.0271       373.0667 125.1301 16.57939 113.8400 42.13850 11.29003       45.28278 
1 1 1 6   3  50 o 66.91706 23.45123 151.2700       113.6796 105.2378       117.4238 838.7513       453.7909 60.29472 23.33310 119.0843 45.92662 -58.78959      51.51397 
1 1 1 6   4  0  f 526.8354 13.12781 8157.380       405.6186 8254.025       576.9070 8062.898       570.4108 529.0209 18.62347 522.8512 18.63176 6.169678       26.34343 
1 1 1 6   4  1  f 336.2656 9.794302 3322.809       192.9494 3462.386       277.2289 3191.675       268.7136 342.9088 13.81335 329.1942 13.94995 13.71457       19.63186 
1 1 1 6   4  2  o 133.9735 10.33449 530.2202       80.57320 601.8817       111.1345 450.8136       116.9860 142.4603 13.46124 122.6430 16.69775 19.81737       21.44808 
1 1 1 6   4  3  o 531.7148 18.86584 8343.223       587.3765 8343.223       587.3765 0.000000       0.000000 531.7148 18.86584 ?        ?        0.000000       18.86584 
1 1 1 6   4  4  o 299.0819 8.662506 2628.250       151.7841 2628.250       151.7841 0.000000       0.000000 299.0819 8.662506 ?        ?        0.000000       8.662506 
1 1 1 6   4  5  o 253.2141 10.64722 1887.087       157.7626 1887.087       157.7626 0.000000       0.000000 253.2141 10.64722 ?        ?        0.000000       10.64722 
1 1 1 6   4  6  o 224.6213 7.680449 1482.918       101.0296 1426.829       126.6657 1580.996       167.4961 220.1631 9.834711 231.5296 12.38026 -11.36642      15.81115 
1 1 1 6   4  7  o 156.2448 6.962676 718.0184       63.64142 725.8981       109.6816 714.0190       78.14065 156.6388 12.03155 155.6857 8.591417 0.9530945      14.78414 
1 1 1 6   4  8  o 342.4839 6.115838 3442.432       122.8419 3636.074       224.7395 3359.928       146.6952 351.4945 10.91533 338.2893 7.393957 13.20517       13.18390 
1 1 1 6   4  9  f 268.6682 5.664636 2118.146       89.25629 2197.791       162.2995 2083.614       106.8683 273.2759 10.14424 266.3387 6.847380 6.937195       12.23897 
1 1 1 6   4  10 o 280.5591 5.008798 2309.320       82.41541 2325.623       118.8822 2294.235       114.3555 281.3812 7.209899 279.5765 6.974387 1.804718       10.03119 
1 1 1 6   4  11 o 384.8618 5.634438 4345.710       127.1762 4626.153       191.6386 4125.004       170.0069 396.9664 8.231495 374.8735 7.732699 22.09286       11.29390 
1 1 1 6   4  12 o 221.5645 7.792826 1442.503       101.1041 1483.151       137.1032 1394.049       149.6902 224.4874 10.44231 217.5132 11.77824 6.974243       15.74067 
1 1 1 6   4  13 o 389.7423 8.472361 4457.894       193.6567 4466.239       266.0873 4448.496       282.3824 389.7921 11.65275 388.9542 12.39491 0.8378296      17.01236 
1 1 1 6   4  14 o 300.8553 5.426704 2654.994       95.75122 2646.927       135.6423 2663.007       135.1842 300.2541 7.709303 301.1677 7.659840 -0.9136353     10.86768 
1 1 1 6   4  15 o 1160.990 13.89095 39598.38       945.8251 39333.20       1323.214 39875.41       1352.464 1156.061 19.51636 1163.937 19.81278 -7.876587      27.81069 
1 1 1 6   4  16 o 448.1070 6.471413 5890.617       170.0714 5886.471       237.9295 5894.949       243.1915 447.8618 9.058448 448.1765 9.252280 -0.3146667     12.94837 
1 1 1 6   4  17 o 613.9560 8.069470 11060.72       290.5580 10982.35       406.1028 11142.92       415.8941 611.5801 11.32223 616.0212 11.51162 -4.441101      16.14653 
1 1 1 6   4  18 o 321.5982 6.954804 3034.410       131.1744 2893.295       183.9420 3180.437       187.1159 313.7847 10.00817 329.0215 9.707582 -15.23685      13.94276 
1 1 1 6   4  19 o 286.3360 7.347411 2407.299       123.2826 2400.196       181.1880 2413.423       168.2283 285.6976 10.83328 286.5420 10.02605 -0.8443604     14.76081 
1 1 1 6   4  20 o 247.7673 7.196246 1802.850       104.4576 1712.538       151.7935 1884.089       143.9677 241.2470 10.75559 253.1406 9.715374 -11.89360      14.49383 
1 1 1 6   4  21 o 348.1680 6.265011 3556.650       127.9267 3459.250       179.5521 3657.066       182.3108 343.1529 8.929383 352.9524 8.807360 -9.799561      12.54207 
1 1 1 6   4  22 o 337.0467 6.259711 3333.398       123.7357 3251.008       172.9518 3419.786       177.0992 332.6267 8.873713 341.1589 8.858844 -8.532135      12.53882 
1 1 1 6   4  23 o 177.3605 7.561134 925.1433       78.46876 933.5723       117.9992 918.4606       105.0665 177.8413 11.37308 176.5054 10.19311 1.335876       15.27241 
1 1 1 6   4  24 o 460.0183 6.622890 6211.654       178.6789 6230.391       252.7346 6192.931       252.6455 460.4811 9.358418 459.0922 9.383421 1.388916       13.25249 
1 1 1 6   4  25 o 415.0448 6.286640 5056.766       153.0256 5140.011       219.4153 4977.930       213.5266 418.2191 8.945662 411.5821 8.845959 6.636932       12.58077 
1 1 1 6   4  26 o 301.6578 5.781767 2671.191       102.2882 2577.082       141.7035 2773.578       147.8041 296.0299 8.169771 307.1119 8.213521 -11.08206      11.58478 
1 1 1 6   4  27 o 324.9813 5.936299 3100.851       113.1422 3051.080       158.7791 3152.193       161.2643 322.0504 8.413778 327.3477 8.406939 -5.297272      11.89404 
1 1 1 6   4  28 o 670.0410 8.516026 13202.80       334.6485 13352.18       479.9580 13061.47       466.8434 672.8219 12.16333 665.5209 11.96076 7.300964       17.05891 
1 1 1 6   4  29 o 362.0545 6.047490 3850.069       128.4102 3948.157       187.1064 3762.735       176.5519 366.3208 8.709165 357.6547 8.417010 8.666077       12.11180 
1 1 1 6   4  30 o 312.8665 5.897705 2875.045       108.2163 3047.876       162.4990 2737.313       145.0629 321.7224 8.620064 304.9521 8.118216 16.77026       11.84107 
1 1 1 6   4  31 f 393.8324 6.314380 4556.891       145.8454 4602.719       211.2703 4515.169       201.5835 395.4021 9.110643 391.6792 8.775540 3.722839       12.64966 
1 1 1 6   4  32 o 244.3116 6.892827 1755.580       98.66375 1714.430       139.5958 1796.654       139.4675 241.0417 9.895872 246.8002 9.654182 -5.758499      13.82503 
1 1 1 6   4  33 o 540.4062 7.657985 8587.368       242.7087 8335.368       329.7066 8885.461       358.5940 531.7543 10.57222 548.8619 11.14011 -17.10760      15.35818 
1 1 1 6   4  34 o 168.2816 9.129261 836.3124       89.76219 813.6975       133.3672 855.0402       121.3657 165.2135 13.89285 169.6830 12.27876 -4.469543      18.54129 
1 1 1 6   4  35 o 188.0497 8.324538 1043.038       91.58105 1028.885       135.9461 1054.798       123.9182 186.0823 12.52998 188.6586 11.25085 -2.576233      16.83989 
1 1 1 6   4  36 o 80.05062 16.97432 198.3826       77.21561 172.9312       114.6970 219.4787       104.4234 75.45421 23.45015 83.71056 21.23934 -8.256348      31.63888 
1 1 1 6   4  37 o 198.0461 8.029447 1157.423       93.06813 1299.025       140.7038 1047.284       124.0922 209.1574 11.51492 187.7756 11.32079 21.38181       16.14787 
1 1 1 6   4  38 o 101.5128 14.17451 312.6300       82.09001 287.4362       123.6733 332.4721       109.7547 95.28682 22.49404 103.5626 18.76105 -8.275818      29.29094 
1 1 1 6   4  39 o 306.2350 6.958302 2762.106       124.9708 2831.310       180.3763 2698.221       173.3065 309.1809 9.960550 301.8668 9.802237 7.314117       13.97485 
1 1 1 6   4  40 o 141.4353 11.22777 598.1392       92.36895 632.3417       136.0490 568.8911       125.8099 143.9239 16.41091 136.5553 16.01311 7.368561       22.92897 
1 1 1 6   4  41 o 109.5334 13.87612 366.1937       87.14111 527.2367       124.9395 213.6434       121.6006 130.7264 16.67526 81.27685 23.91451 49.44959       29.15422 
1 1 1 6   4  42 o 41.98618 18.31566 -8.463601      84.96150 -36.92381      124.4549 16.37618       116.2698 47.92987 21.46980 51.53149 21.93825 -3.601620      30.69591 
1 1 1 6   4  43 o 131.3016 14.59952 530.6486       110.5253 535.5369       280.0347 529.7466       120.2909 119.0218 36.58220 130.5625 16.04667 -11.54069      39.94687 
1 1 1 6   4  44 o 204.5687 8.700185 1247.993       104.1419 1262.894       109.0851 1094.673       349.9173 205.6411 9.067217 170.4488 36.12767 35.19228       37.24813 
1 1 1 6   4  45 o 44.78376 18.98014 15.83778       86.36212 40.60320       89.27364 -345.3734      340.9423 48.71315 19.84797 62.38633 30.21649 -13.67319      36.15215 
1 1 1 6   4  46 o 282.0557 8.073230 2372.397       133.4092 2343.693       142.6497 2572.667       376.7959 279.9682 8.698391 277.4050 23.37750 2.563263       24.94333 
1 1 1 6   4  47 o 122.6193 14.38137 470.8113       101.4580 460.0447       105.5371 602.0693       368.4931 120.7322 15.24419 113.0324 41.87209 7.699776       44.56072 
1 1 1 6   4  48 o 76.72115 21.93231 203.4864       103.6279 203.4628       108.2406 203.7453       358.8046 76.51592 22.57552 83.97619 37.10109 -7.460266      43.42977 
1 1 1 6   4  49 o 67.59466 22.75353 154.9043       106.6996 156.4443       110.8852 135.6535       392.0535 67.94314 23.19254 80.90264 36.97806 -12.95950      43.64941 
1 1 1 6   4  50 o 88.27708 22.69779 276.0519       118.1614 230.5665       121.9524 973.7353       477.6212 80.01891 24.04979 126.2500 47.48941 -46.23106      53.23191 
1 1 1 6   5  0  f 621.7005 15.02396 11370.78       547.7925 11207.44       765.0005 11542.66       784.7688 615.8731 21.21137 624.9745 21.44236 -9.101440      30.16118 
1 1 1 6   5  1  o 331.1346 9.652579 3222.456       187.2556 3288.900       265.0530 3156.246       264.5864 334.1799 13.55201 327.3322 13.81356 6.847778       19.35126 
1 1 1 6   5  2  o 234.6621 8.697781 1618.810       119.4950 1614.228       165.6110 1623.787       172.5877 234.0543 12.10599 234.7025 12.58440 -0.6481171     17.46202 
1 1 1 6   5  3  o 254.7301 8.958178 1907.527       133.6207 1983.732       189.1195 1831.565       188.8174 259.4765 12.46406 249.2524 12.96125 10.22409       17.98185 
1 1 1 6   5  4  f 238.4343 8.530485 1671.293       119.0947 1671.293       119.0947 0.000000       0.000000 238.4343 8.530485 ?        ?        0.000000       8.530485 
1 1 1 6   5  5  o 445.5231 9.948243 5831.420       259.9364 5831.420       259.9364 0.000000       0.000000 445.5231 9.948243 ?        ?        0.000000       9.948243 
1 1 1 6   5  6  o 95.58653 14.04653 274.7057       76.39687 273.3127       96.89874 276.9941       124.1947 94.66305 18.11336 94.80843 22.64748 -0.1453781     29.00004 
1 1 1 6   5  7  o 186.7051 6.365742 1024.293       69.60174 982.4177       115.1241 1048.416       87.37962 182.4845 10.80533 188.7896 7.909421 -6.305099      13.39082 
1 1 1 6   5  8  o 193.9047 5.919070 1104.428       67.23315 1081.092       119.3659 1115.271       81.36802 191.4726 10.67198 194.7804 7.134973 -3.307846      12.83740 
1 1 1 6   5  9  o 466.0356 7.253050 6375.843       198.2395 6549.245       355.7042 6297.719       238.7563 471.5983 12.87279 463.0519 8.791738 8.546387       15.58856 
1 1 1 6   5  10 o 320.3538 5.201528 3010.901       97.72626 3129.195       142.9579 2907.125       133.8981 326.5002 7.465765 314.7106 7.254584 11.78958       10.40993 
1 1 1 6   5  11 o 341.9443 6.226580 3430.741       124.8692 3130.271       203.0563 3613.467       158.3495 326.2709 10.62593 350.8778 7.695032 -24.60687      13.11960 
1 1 1 6   5  12 o 783.0400 11.10616 18007.81       510.0334 17130.67       822.9414 18554.87       649.9024 762.7028 18.39768 794.4902 13.94791 -31.78741      23.08720 
1 1 1 6   5  13 o 398.8755 8.543305 4669.105       199.8544 4550.508       269.9516 4812.946       297.2968 393.4689 11.71139 404.5974 12.54416 -11.12851      17.16137 
1 1 1 6   5  14 o 451.8742 6.378394 5990.001       169.0361 6191.667       246.6575 5811.421       232.1113 459.3219 9.156441 445.0046 8.893676 14.31726       12.76471 
1 1 1 6   5  15 o 240.9068 5.735148 1702.374       81.02969 1808.591       115.5235 1599.512       113.6852 248.1456 7.948293 233.3267 8.321177 14.81894       11.50727 
1 1 1 6   5  16 o 609.6430 7.912940 10905.37       282.9202 10711.37       390.4332 11119.86       410.5431 604.0207 11.02159 615.4063 11.37487 -11.38556      15.83866 
1 1 1 6   5  17 o 277.1521 6.709848 2253.512       109.0640 2204.977       152.3732 2304.501       156.1766 273.9228 9.499214 280.0422 9.523010 -6.119415      13.45075 
1 1 1 6   5  18 o 427.7002 7.056788 5367.069       177.0097 5263.916       243.4526 5482.760       257.8242 423.4623 9.802775 432.1578 10.17257 -8.695435      14.12712 
1 1 1 6   5  19 o 296.3408 7.177455 2576.735       124.7419 2440.343       178.4343 2707.113       174.4563 288.0943 10.57867 303.5065 9.813852 -15.41214      14.42983 
1 1 1 6   5  20 o 246.7811 7.073445 1788.476       102.2692 1849.853       150.3394 1735.611       139.5263 250.7849 10.24320 242.9356 9.813166 7.849350       14.18525 
1 1 1 6   5  21 o 290.4134 6.232503 2474.595       106.1524 2533.561       154.9394 2422.432       145.7279 293.6233 9.008133 287.1288 8.663878 6.494476       12.49837 
1 1 1 6   5  22 o 426.3492 6.496946 5334.253       162.4521 5565.357       239.0973 5136.085       221.4053 435.3131 9.365317 418.2106 9.026978 17.10251       13.00752 
1 1 1 6   5  23 o 562.9140 7.510925 9302.618       247.9625 9226.379       347.2002 9381.985       354.2499 560.2867 10.56621 564.9764 10.69126 -4.689697      15.03156 
1 1 1 6   5  24 o 289.5081 5.976397 2459.863       101.4730 2384.046       141.3561 2540.471       145.7540 284.7642 8.473484 293.9668 8.462994 -9.202637      11.97590 
1 1 1 6   5  25 o 735.0441 10.54962 15892.53       454.7795 16401.64       582.9071 15100.56       727.0192 746.0388 13.32255 714.6145 17.34697 31.42432       21.87253 
1 1 1 6   5  26 o 113.9844 9.229067 384.5174       61.16830 380.5261       96.08389 387.2372       79.31750 112.5511 14.92370 114.0236 12.04279 -1.472511      19.17669 
1 1 1 6   5  27 o 284.1015 5.700535 2369.627       94.98163 2474.707       141.2897 2282.985       128.2969 290.0213 8.315315 278.6011 7.859902 11.42014       11.44214 
1 1 1 6   5  28 o 47.28819 17.11036 55.14389       60.97828 -51.21889      98.58893 121.0439       77.60255 41.84327 18.89444 63.53001 19.20468 -21.68674      26.94104 
1 1 1 6   5  29 o 254.8616 5.971539 1907.747       89.25676 1983.936       135.8526 1849.879       118.3964 259.4926 8.940084 250.6738 8.063889 8.818771       12.03958 
1 1 1 6   5  30 o 88.04659 13.54958 234.4819       67.72633 318.6624       105.7678 175.9780       88.17388 101.9486 18.36512 75.40335 19.71877 26.54526       26.94638 
1 1 1 6   5  31 o 284.3060 8.868172 2381.402       147.6860 2333.635       181.9967 2473.508       252.7199 281.0704 11.06234 288.5181 14.98674 -7.447632      18.62734 
1 1 1 6   5  32 o 296.3121 8.297132 2584.977       144.0457 2529.065       168.9874 2733.567       275.4838 292.8470 9.853304 303.2209 15.54311 -10.37393      18.40315 
1 1 1 6   5  33 o 158.2138 10.23469 740.7119       94.45673 683.3193       137.9345 791.3917       129.6171 150.9614 15.81401 162.9981 13.68530 -12.03671      20.91340 
1 1 1 6   5  34 o 296.4427 6.678277 2582.800       116.1063 2610.834       167.4565 2556.845       161.1246 297.5326 9.609195 294.4834 9.341148 3.049164       13.40126 
1 1 1 6   5  35 o 234.5967 7.171800 1620.116       98.55763 1620.589       147.3899 1619.734       132.5511 234.0658 10.76574 234.1994 9.671245 -0.1335907     14.47184 
1 1 1 6   5  36 o 287.5078 6.753884 2431.265       113.8817 2536.450       170.0002 2345.637       153.3844 292.9885 9.907716 281.8699 9.291287 11.11862       13.58274 
1 1 1 6   5  37 o 172.6736 8.929539 881.7926       90.12135 1019.418       138.6954 781.2238       118.5615 184.8895 12.87121 161.8019 12.59333 23.08755       18.00723 
1 1 1 6   5  38 o 32.59238 15.44798 -92.74323      79.03864 -164.9109      125.8302 -45.71295      101.5787 39.83916 19.05248 42.79081 19.26331 -2.951653      27.09377 
1 1 1 6   5  39 o 150.3705 10.66742 673.3141       93.46383 762.8809       144.7254 609.2345       122.4140 158.7485 15.75234 141.9435 14.92820 16.80505       21.70224 
1 1 1 6   5  40 o 37.35876 17.15105 -57.17781      85.59542 -66.46309      133.5528 -50.70485      111.5082 47.94094 21.78437 44.42830 20.07495 3.512642       29.62367 
1 1 1 6   5  41 o 141.6925 10.38623 600.5706       85.70925 652.9467       130.7794 561.1373       113.4762 146.0730 15.50218 135.6733 14.48514 10.39975       21.21643 
1 1 1 6   5  42 o 129.8084 11.42867 508.2916       86.11845 539.9713       90.18968 180.9711       289.9036 133.7617 11.61166 86.41519 35.55122 47.34650       37.39946 
1 1 1 6   5  43 o 97.91238 14.73493 297.9245       81.99265 279.0590       84.57110 593.2358       334.6013 94.29519 15.85463 122.3629 40.26950 -28.06773      43.27819 
1 1 1 6   5  44 o 48.34536 20.93817 3.905850       109.3795 3.905850       109.3795 0.000000       0.000000 48.34536 20.93817 ?        ?        0.000000       20.93817 
1 1 1 6   5  45 o 70.85144 20.34404 166.0390       88.97272 145.9795       92.37121 423.6971       331.0540 66.89297 21.08226 102.8095 39.33508 -35.91654      44.62858 
1 1 1 6   5  46 o 116.3676 14.35327 422.7739       95.88286 428.3610       99.62570 352.5794       353.1252 116.8918 14.86839 95.96180 39.33114 20.93000       42.04768 
1 1 1 6   5  47 o 61.38214 21.81340 117.3157       98.62143 132.3823       102.5172 -69.69814      361.1820 64.17963 22.28457 72.29214 33.87871 -8.112511      40.55082 
1 1 1 6   5  48 o 44.98692 19.76023 -2.472973      100.4085 -30.71619      105.0633 295.2448       341.1113 43.16351 19.49644 88.83028 37.68763 -45.66677      42.43193 
1 1 1 6   5  49 o 183.3232 11.52988 1030.118       123.3354 1073.285       129.8895 634.4714       393.2342 186.8662 11.91409 110.0682 42.67066 76.79796       44.30272 
1 1 1 6   5  50 f 57.92353 22.68460 91.84768       112.0387 102.6845       115.4705 -82.37879      462.9965 59.75117 23.13402 75.43909 36.20206 -15.68792      42.96245 
1 1 1 6   6  0  o 264.0330 8.457210 2048.737       130.7902 2032.726       181.5478 2066.013       188.5834 262.7248 11.81277 264.8367 12.17413 -2.111938      16.96322 
1 1 1 6   6  1  o 80.09837 10.77581 191.8722       49.33730 189.4866       63.02649 195.6474       79.28596 79.07809 14.10745 79.94985 17.40432 -0.8717651     22.40380 
1 1 1 6   6  2  o 281.4871 8.990558 2329.053       148.2307 2422.950       208.3160 2232.749       210.9691 286.8048 12.41410 275.2227 13.10793 11.58215       18.05347 
1 1 1 6   6  3  o 183.6194 7.218733 991.1437       77.58594 982.7659       94.88405 1008.047       134.7784 182.7235 8.880773 184.7267 12.51443 -2.003204      15.34533 
1 1 1 6   6  4  o 546.7996 11.48632 8790.319       368.3491 8790.319       368.3491 0.000000       0.000000 546.7996 11.48632 ?        ?        0.000000       11.48632 
1 1 1 6   6  5  o 423.4093 9.615321 5267.313       238.7672 5267.313       238.7672 0.000000       0.000000 423.4093 9.615321 ?        ?        0.000000       9.615321 
1 1 1 6   6  6  o 145.8469 9.975871 628.0272       84.81558 587.2974       110.9028 685.4130       131.6402 140.5830 13.62163 151.7837 14.98334 -11.20076      20.24967 
1 1 1 6   6  7  o 412.7272 6.808148 5000.297       164.7945 4959.242       281.5920 5021.682       203.2313 410.4488 11.70995 413.4987 8.380422 -3.049927      14.39980 
1 1 1 6   6  8  o 338.2799 6.090730 3358.290       120.8359 3420.546       215.7940 3329.853       145.8455 340.9403 10.80586 336.7817 7.384038 4.158539       13.08781 
1 1 1 6   6  9  o 137.4032 7.047698 555.6041       56.60323 674.0872       109.5127 512.4130       66.12006 150.8801 12.48780 131.8178 8.599762 19.06230       15.16249 
1 1 1 6   6  10 o 98.64259 9.253360 288.2341       52.90711 162.3573       104.3348 331.8062       61.38475 73.82655 22.25747 105.8161 10.01042 -31.98953      24.40499 
1 1 1 6   6  11 o 436.3530 6.081644 5586.195       155.6358 5943.462       234.7718 5306.091       207.8783 449.9608 8.896533 425.1781 8.336576 24.78268       12.19208 
1 1 1 6   6  12 o 321.0198 6.138954 3023.239       115.5784 2955.737       200.0166 3057.076       141.6147 317.0909 10.77116 322.7774 7.480914 -5.686493      13.11419 
1 1 1 6   6  13 o 310.2272 5.360245 2822.973       97.52480 2832.790       138.5457 2813.330       137.3044 310.7204 7.602786 309.6523 7.560660 1.068085       10.72222 
1 1 1 6   6  14 o 458.1023 6.392346 6156.241       171.7407 6197.050       243.6473 6115.944       242.1159 459.5280 9.040640 456.5109 9.043192 3.017151       12.78720 
1 1 1 6   6  15 o 644.9539 8.196574 12205.63       310.0356 12296.75       442.2541 12117.57       434.7551 647.1424 11.65256 642.4182 11.53922 4.724182       16.39926 
1 1 1 6   6  16 o 442.7531 6.562433 5750.853       170.4029 5650.889       234.5046 5862.686       248.0366 438.7998 9.112433 446.9327 9.462875 -8.132904      13.13706 
1 1 1 6   6  17 o 942.2747 11.55074 26072.93       638.3190 25655.19       882.5878 26531.08       924.2944 934.0718 16.11117 949.8038 16.59304 -15.73193      23.12788 
1 1 1 6   6  18 o 864.7916 10.74315 21958.87       544.8707 22096.40       776.5419 21825.50       764.7212 866.9184 15.27341 861.6086 15.13361 5.309814       21.50124 
1 1 1 6   6  19 o 841.1203 10.46908 20774.04       516.4366 20942.96       737.8395 20611.81       723.0872 843.9502 14.90715 837.2791 14.72550 6.671143       20.95384 
1 1 1 6   6  20 o 643.9254 8.350064 12170.22       315.3377 12513.21       460.3983 11867.14       432.7907 652.6075 12.02904 635.5789 11.61069 17.02856       16.71843 
1 1 1 6   6  21 f 60.98265 18.62772 109.8362       72.75192 97.59798       115.4403 117.8992       93.70145 64.12941 23.49137 64.67704 21.31130 -0.5476303     31.71775 
1 1 1 6   6  22 o 215.5609 6.822663 1365.104       86.14442 1416.815       130.6744 1325.358       114.5626 219.3653 10.18495 212.2310 9.226190 7.134308       13.74248 
1 1 1 6   6  23 o 650.8764 8.371190 12441.32       319.5481 12448.21       451.4256 12434.41       452.3944 650.5720 11.83151 650.2062 11.86358 0.3658447      16.75497 
1 1 1 6   6  24 o 85.67195 16.07369 223.5621       77.79583 400.0477       157.8204 166.9130       89.41393 113.8550 24.37092 73.87881 20.10431 39.97621       31.59312 
1 1 1 6   6  25 o 603.0230 7.827041 10682.18       276.8102 10729.08       392.9696 10635.99       389.9848 603.8044 11.09717 601.1862 11.06084 2.618164       15.66810 
1 1 1 6   6  26 o 249.7963 5.802708 1831.812       85.00945 1850.612       124.7800 1815.528       116.1287 250.7709 8.496597 248.4318 7.980784 2.339127       11.65698 
1 1 1 6   6  27 o 448.4447 6.480946 5906.344       170.4503 5954.599       242.6763 5859.358       239.4621 449.9159 9.196984 446.3107 9.148480 3.605194       12.97225 
1 1 1 6   6  28 o 211.4974 6.225430 1314.934       77.13509 1440.584       119.6255 1225.514       100.9163 221.0616 9.247406 203.9554 8.455092 17.10619       12.53009 
1 1 1 6   6  29 o 276.9717 5.925935 2253.112       96.25935 2190.866       136.4760 2314.733       135.7892 272.7531 8.542241 280.4023 8.266230 -7.649200      11.88699 
1 1 1 6   6  30 o 351.5559 6.151265 3630.680       126.8263 3802.584       182.7438 3470.947       176.1565 359.4649 8.668331 343.3096 8.756222 16.15530       12.32118 
1 1 1 6   6  31 o 268.2538 6.495267 2114.373       102.1865 2165.073       147.4883 2067.566       141.7117 271.0102 9.293184 264.8533 9.136936 6.156860       13.03253 
1 1 1 6   6  32 o 232.3010 7.345644 1587.999       99.95057 1739.640       148.4630 1462.293       135.1728 242.7250 10.45376 222.5087 10.38704 20.21632       14.73675 
1 1 1 6   6  33 o 176.5296 14.75067 929.5694       151.3196 989.8007       178.6995 776.9388       284.4677 181.7148 16.96407 156.4046 32.08918 25.31027       36.29731 
1 1 1 6   6  34 o 201.1858 7.834779 1192.492       92.26640 1346.336       141.1077 1077.590       121.9479 213.2657 11.32240 190.7942 10.94421 22.47150       15.74714 
1 1 1 6   6  35 o 197.6127 7.824875 1151.003       90.50724 1101.543       131.1838 1195.931       125.0309 192.7066 11.66194 201.0079 10.64399 -8.301376      15.78909 
1 1 1 6   6  36 o 74.39755 18.44803 172.4781       80.09426 318.5442       130.3025 83.77505       101.5423 100.6114 22.63251 59.11069 21.96471 41.50073       31.53853 
1 1 1 6   6  37 o 108.3596 13.70940 354.4835       85.17695 195.8846       131.4360 469.3155       111.8397 79.95374 25.14132 124.4389 15.67139 -44.48511      29.62564 
1 1 1 6   6  38 o 159.0117 9.399180 749.3828       87.26257 767.2753       131.8576 735.4398       116.3989 159.8348 14.21453 156.8199 12.76636 3.014877       19.10583 
1 1 1 6   6  39 f 216.9157 8.097878 1390.300       102.8371 1544.519       168.2123 1298.260       129.9501 227.4298 12.66127 209.0232 10.63558 18.40662       16.53552 
1 1 1 6   6  40 o 78.45432 24.42006 194.2408       124.3285 219.7142       138.5647 89.03119       281.6025 83.02676 25.77018 81.32536 34.36102 1.701401       42.95092 
1 1 1 6   6  41 o 37.35849 16.72680 -27.95163      75.44764 -24.78959      78.02354 -73.48202      296.0691 38.42333 17.11984 71.60420 32.49678 -33.18087      36.73050 
1 1 1 6   6  42 o 188.3611 9.191545 1057.467       101.2318 1070.653       107.1541 947.9753       308.7795 189.3686 9.680408 163.4685 33.33913 25.90012       34.71611 
1 1 1 6   6  43 o 83.19582 17.24674 221.0160       81.38545 215.8481       84.05927 298.3937       325.2668 81.94948 17.98467 96.00040 38.31682 -14.05093      42.32761 
1 1 1 6   6  44 o 152.4943 10.61679 701.0366       94.35756 682.4130       98.23385 923.1453       339.2433 150.2022 11.23288 153.5195 37.90788 -3.317322      39.53713 
1 1 1 6   6  45 f 102.3945 21.69270 350.9077       126.2126 350.9077       126.2126 0.000000       0.000000 102.3945 21.69270 ?        ?        0.000000       21.69270 
1 1 1 6   6  46 o 68.12218 20.77117 153.9815       90.51143 173.5212       93.73805 -115.2784      347.9704 71.94521 20.94935 70.34117 33.05585 1.604034       39.13521 
1 1 1 6   6  47 o 45.67698 19.85479 4.843688       99.09128 23.72935       103.9638 -182.5841      327.5164 48.74012 20.74718 65.05030 31.00672 -16.31018      37.30767 
1 1 1 6   6  48 o 197.7705 10.62870 1188.460       122.8270 1258.338       130.7391 662.9937       358.5156 203.2601 11.00846 116.4906 41.56975 86.76956       43.00267 
1 1 1 6   6  49 o 106.1495 18.41001 372.9687       110.4573 380.1044       115.0329 288.5863       395.5745 106.7500 19.07405 87.98038 38.90899 18.76965       43.33277 
1 1 1 6   6  50 o 47.22898 20.58080 9.912125       107.0318 32.11361       109.7905 -415.2899      480.4756 50.12349 21.32780 67.96706 33.52710 -17.84357      39.73590 
1 1 1 6   7  0  o 210.2731 7.707587 1299.750       94.88927 1217.469       128.4616 1398.551       140.7686 203.2479 10.81592 217.8564 11.05367 -14.60849      15.46505 
1 1 1 6   7  1  o 184.0370 7.675572 996.0451       82.66318 993.2473       112.5003 999.3282       121.8676 183.5487 10.49459 184.0286 11.34669 -0.4798431     15.45587 
1 1 1 6   7  2  o 357.8181 9.976493 3764.903       209.1542 3664.331       287.7581 3877.541       304.5316 352.5328 13.94553 362.6023 14.34860 -10.06949      20.00900 
1 1 1 6   7  3  o 373.7314 10.29892 4108.047       225.5213 4182.354       318.9984 4033.799       318.8720 376.5558 14.47164 369.7581 14.73393 6.797699       20.65229 
1 1 1 6   7  4  o 427.7864 12.22637 5387.996       306.4286 5387.996       306.4286 0.000000       0.000000 427.7864 12.22637 ?        ?        0.000000       12.22637 
1 1 1 6   7  5  o 874.9424 13.34190 22537.71       684.6172 22400.85       869.0988 22761.51       1111.360 871.1992 17.00987 876.4468 21.62114 -5.247620      27.51017 
1 1 1 6   7  6  o 621.1537 9.886631 11338.68       360.1621 11417.72       463.7521 11218.56       571.7206 622.8763 12.69503 616.6114 15.82271 6.264954       20.28600 
1 1 1 6   7  7  o 252.7186 7.722461 1876.959       114.3230 1875.621       153.0736 1878.645       171.9161 252.4056 10.36276 252.4783 11.64159 -0.7270813E-01 15.58568 
1 1 1 6   7  8  o 556.6732 8.302914 9099.230       271.0699 9164.635       474.3595 9067.517       330.3149 557.7144 14.51492 555.5190 10.13862 2.195313       17.70521 
1 1 1 6   7  9  o 208.0260 5.945908 1270.784       72.46704 1274.680       136.6196 1269.259       85.48371 207.9664 11.24313 207.8428 7.022991 0.1235657      13.25633 
1 1 1 6   7  10 o 809.2541 11.43618 19240.16       542.7708 19220.50       939.6428 19250.01       664.9200 807.3134 19.84587 809.0794 14.01289 -1.765991      24.29443 
1 1 1 6   7  11 o 193.3730 6.299341 1098.199       71.34467 1056.928       134.7248 1114.284       84.10576 189.2893 12.20085 194.7303 7.377817 -5.440994      14.25809 
1 1 1 6   7  12 o 685.9649 9.912400 13812.53       398.7780 13660.85       682.9604 13891.00       491.2099 681.2795 17.10658 687.7296 12.17864 -6.450012      20.99892 
1 1 1 6   7  13 f 403.6671 5.917546 4779.852       140.0927 4715.779       194.9783 4848.229       201.4207 400.8869 8.293042 406.4725 8.449333 -5.585602      11.83916 
1 1 1 6   7  14 o 286.0853 5.473031 2400.691       91.82777 2513.309       134.9234 2303.511       125.3343 292.5682 7.870533 280.0933 7.636992 12.47498       10.96672 
1 1 1 6   7  15 o 435.8772 6.410241 5573.458       163.8660 5683.989       235.0270 5468.898       228.5902 440.0873 9.106016 431.6831 9.029050 8.404144       12.82354 
1 1 1 6   7  16 o 259.7912 6.448217 1979.958       98.24596 1942.222       140.9960 2015.571       136.9729 257.0722 9.367590 261.9138 8.930202 -4.841553      12.94219 
1 1 1 6   7  17 o 846.6354 10.53443 21044.44       523.0680 20705.29       722.3380 21418.33       758.4418 839.3098 14.67464 853.5737 15.15063 -14.26385      21.09234 
1 1 1 6   7  18 o 938.6367 11.53883 25875.69       635.1992 25750.50       890.5828 26005.31       906.2365 935.6514 16.22967 940.2325 16.43447 -4.581055      23.09749 
1 1 1 6   7  19 o 720.5366 9.166124 15240.43       387.3400 15137.54       541.9682 15347.86       553.7858 717.7267 12.87550 722.6729 13.06621 -4.946167      18.34406 
1 1 1 6   7  20 o 415.3442 6.562407 5061.767       159.8534 5119.455       226.6918 5004.709       225.4470 417.5782 9.256515 412.8690 9.310688 4.709198       13.12905 
1 1 1 6   7  21 o 282.4491 6.291132 2340.921       104.2124 2385.811       151.7975 2300.902       143.3245 284.8976 9.096664 279.8026 8.744839 5.095062       12.61830 
1 1 1 6   7  22 o 491.6796 6.941326 7095.622       200.1590 7299.595       290.2096 6910.562       276.4282 498.4534 9.927428 485.0083 9.718129 13.44510       13.89229 
1 1 1 6   7  23 o 396.3807 7.306409 4612.801       169.8506 4508.815       292.6263 4665.634       208.5831 391.2014 12.77159 398.5271 8.924229 -7.325745      15.58061 
1 1 1 6   7  24 o 145.1453 7.950010 620.6383       67.41549 638.3766       106.2749 608.6941       87.20761 146.7256 12.46818 143.4952 10.43383 3.230438       16.25793 
1 1 1 6   7  25 o 367.6127 6.022631 3967.172       129.8456 3935.333       181.9707 4000.198       185.3344 365.9364 8.479013 368.9316 8.565634 -2.995209      12.05254 
1 1 1 6   7  26 o 274.4325 5.799062 2211.046       93.33483 2172.333       132.0181 2249.733       131.9726 271.7284 8.293863 276.5471 8.145876 -4.818787      11.62512 
1 1 1 6   7  27 o 92.25327 11.45571 254.6172       60.64927 201.4677       95.21596 290.9035       78.67411 80.69823 20.17441 98.25932 14.05200 -17.56108      24.58588 
1 1 1 6   7  28 o 75.12108 17.38072 174.2196       75.05293 202.3006       139.3405 162.7431       89.07910 82.21381 25.89095 72.76880 20.17275 9.445007       32.82196 
1 1 1 6   7  29 o 150.8382 8.363270 671.3587       73.69443 779.8718       112.2223 589.0858       97.71629 162.1286 11.88494 140.7789 11.94805 21.34978       16.85253 
1 1 1 6   7  30 o 155.0558 8.035246 709.0579       72.82047 763.3606       107.7548 663.4105       98.79492 160.4320 11.52925 149.5314 11.35031 10.90059       16.17879 
1 1 1 6   7  31 o 204.0036 7.290969 1225.009       87.09126 1344.816       127.7026 1120.834       119.0803 213.3805 10.23440 194.7243 10.46568 18.65616       14.63809 
1 1 1 6   7  32 o 466.3972 7.092830 6393.750       194.0109 6515.256       278.4527 6279.114       270.4672 470.2405 10.09673 461.6633 9.989384 8.577240       14.20323 
1 1 1 6   7  33 o 196.3153 8.671009 1136.449       99.58672 1244.465       150.3074 1051.931       132.9570 204.8440 12.57198 188.3519 12.10024 16.49207       17.44909 
1 1 1 6   7  34 f 168.2483 9.603041 836.8811       94.36317 1079.264       170.0696 729.0710       113.4241 190.0388 15.39087 156.5436 12.45700 33.49518       19.80040 
1 1 1 6   7  35 o 253.4243 7.001482 1890.293       103.9615 1958.544       150.9762 1828.749       143.3662 257.4676 10.01763 248.8092 9.844368 8.658310       14.04509 
1 1 1 6   7  36 o 103.3030 13.82833 322.4885       81.67620 379.5968       132.6987 287.6584       103.6321 110.3304 21.27904 96.25591 19.03229 14.07451       28.54865 
1 1 1 6   7  37 o 271.1603 6.851002 2165.265       108.8636 2341.045       168.1209 2038.344       142.8584 281.2437 10.20962 262.6194 9.289948 18.62439       13.80360 
1 1 1 6   7  38 o 115.2581 18.76984 410.4747       122.5150 471.8493       132.6280 53.44782       319.8831 123.7186 18.87567 84.53098 36.19839 39.18759       40.82419 
1 1 1 6   7  39 o 190.8433 9.583604 1080.337       106.9213 1095.468       112.7115 944.3123       337.9374 192.0720 10.04071 166.8850 35.61313 25.18701       37.00150 
1 1 1 6   7  40 o 307.4709 7.487060 2791.106       135.0100 2729.458       145.2680 3181.949       365.7720 303.7563 8.161834 321.5670 19.48640 -17.81076      21.12665 
1 1 1 6   7  41 o 25.09115 12.51140 -188.7182      74.16642 -173.0725      76.43147 -441.0149      306.9238 26.49856 13.12589 57.72959 28.12288 -31.23103      31.03523 
1 1 1 6   7  42 o 108.2743 13.44939 359.2510       83.56861 332.2870       86.89187 691.6685       305.0905 103.6401 14.70813 135.6132 37.23159 -31.97305      40.03149 
1 1 1 6   7  43 o 52.79160 19.62723 72.50779       81.10076 80.48151       83.90417 -40.86982      316.3856 54.58673 20.02211 73.57235 33.46967 -18.98561      39.00133 
1 1 1 6   7  44 o 41.15675 17.96435 -5.917669      81.83639 -0.6020426     84.44913 -87.85777      331.5631 42.41860 18.38453 71.70497 33.21672 -29.28637      37.96500 
1 1 1 6   7  45 o 136.8176 12.31046 572.6100       97.72434 610.5628       102.0667 154.8252       338.6400 141.2454 12.44863 83.63892 36.52454 57.60645       38.58770 
1 1 1 6   7  46 o 83.60532 24.06047 243.2133       124.3152 296.3764       132.3659 -154.3719      361.9814 92.13723 24.19173 69.86070 33.09670 22.27653       40.99551 
1 1 1 6   7  47 o 101.0747 19.02691 337.6612       108.6501 395.6531       114.7963 -160.8175      336.5636 109.9440 18.45691 66.56337 31.64406 43.38065       36.63337 
1 1 1 6   7  48 o 52.41185 21.59840 51.76171       107.2370 135.6280       112.1839 -836.7543      365.1484 64.82841 23.23978 51.59201 26.00474 13.23641       34.87598 
1 1 1 6   7  49 o 109.8100 18.29620 398.5174       113.6855 400.7881       117.8303 367.9352       432.4323 109.6541 19.01107 92.14854 40.72010 17.50556       44.93937 
1 1 1 6   7  50 o 37.63398 18.00642 -122.7144      112.6805 -69.09250      116.0574 -1004.145      470.5391 41.95274 19.50887 56.92394 28.79087 -14.97120      34.77801 
1 1 1 6   8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   8  1  o 401.8156 10.64315 4749.484       250.5906 4803.868       355.2675 4695.635       353.5162 403.4796 15.03987 398.8856 15.13908 4.594025       21.33985 
1 1 1 6   8  2  o 201.9569 7.770850 1199.377       91.86849 1203.316       125.0168 1194.753       135.4532 202.0472 10.58725 201.2284 11.52577 0.8188171      15.65034 
1 1 1 6   8  3  o 36.97215 13.25737 33.89830       36.51005 55.67452       41.28959 -44.16455      78.17564 44.03901 14.12051 37.04191 16.76616 6.997097       21.92015 
1 1 1 6   8  4  o 458.6453 8.593976 6178.689       231.1647 6176.579       269.0402 6184.640       451.8413 458.4315 10.00673 457.4786 16.86977 0.9529419      19.61437 
1 1 1 6   8  5  o 109.6693 9.471225 355.9994       60.32106 354.3994       65.48549 364.9604       154.9713 109.3229 10.33644 108.7078 24.85068 0.6150818      26.91465 
1 1 1 6   8  6  o 123.5826 8.636676 450.7378       62.20314 474.9709       71.46154 374.9707       126.3597 126.7764 9.684638 110.9277 20.16568 15.84871       22.37067 
1 1 1 6   8  7  o 338.1759 6.881085 3356.616       136.4741 3423.866       174.1544 3249.602       219.6881 341.3429 8.706584 332.2953 11.28919 9.047577       14.25659 
1 1 1 6   8  8  o 907.3716 12.70807 24209.53       676.2626 24754.84       1207.439 23960.29       816.3099 914.8519 22.50422 902.1010 15.42941 12.75085       27.28565 
1 1 1 6   8  9  o 496.2885 7.637789 7228.704       222.3066 7393.237       398.2950 7154.255       267.9223 501.2620 13.56091 493.6275 9.254627 7.634491       16.41787 
1 1 1 6   8  10 o 106.2194 8.472134 333.2444       52.34023 258.7894       114.9976 352.6980       58.78158 91.84734 21.69647 109.2215 9.263928 -17.37413      23.59146 
1 1 1 6   8  11 o 599.1605 8.872138 10536.07       311.7611 10886.84       565.7772 10383.13       373.5973 608.2744 15.87328 594.6792 10.71200 13.59515       19.14962 
1 1 1 6   8  12 o 892.5704 10.86775 23389.13       568.8956 24363.21       851.4484 22603.60       764.6176 910.3528 15.94770 877.0067 14.86589 33.34607       21.80192 
1 1 1 6   8  13 o 383.6114 5.866152 4316.650       131.9761 4499.781       192.1181 4153.006       181.6097 391.5973 8.365236 376.2096 8.231114 15.38763       11.73577 
1 1 1 6   8  14 o 166.4956 12.15206 818.3626       117.8426 788.5029       152.0175 863.3246       186.5404 162.9859 16.11416 170.2390 19.00767 -7.253098      24.91902 
1 1 1 6   8  15 o 441.6523 6.523504 5722.275       168.9709 5780.645       239.8077 5664.723       238.1232 443.8039 9.213432 439.3303 9.241872 4.473572       13.04989 
1 1 1 6   8  16 o 345.6063 6.475051 3504.108       131.2428 3500.019       191.1511 3507.754       180.5158 345.1888 9.451018 345.6026 8.913542 -0.4138184     12.99127 
1 1 1 6   8  17 o 562.9366 7.827883 9299.075       258.4368 9449.701       370.5797 9156.457       360.5943 567.2766 11.13875 558.4142 11.01062 8.862366       15.66223 
1 1 1 6   8  18 o 1084.687 13.10566 34573.11       833.7082 34067.57       1154.009 35125.03       1205.777 1075.662 18.29290 1092.098 18.82586 -16.43567      26.24964 
1 1 1 6   8  19 o 740.8241 9.352330 16112.21       406.3361 15872.58       561.1585 16376.35       589.1553 734.8943 13.01998 746.4080 13.45870 -11.51373      18.72582 
1 1 1 6   8  20 o 764.4837 9.541357 17161.57       427.7883 17261.64       608.2635 17063.64       601.7571 766.1736 13.53674 761.7772 13.46923 4.396423       19.09616 
1 1 1 6   8  21 o 683.2092 8.691065 13706.07       348.2388 13733.91       493.3524 13678.43       491.6204 683.4402 12.30853 682.0610 12.29012 1.379150       17.39388 
1 1 1 6   8  22 o 471.9451 7.914473 6539.779       219.0604 7048.093       407.3339 6332.945       259.8340 489.0385 14.21733 464.2863 9.542444 24.75217       17.12282 
1 1 1 6   8  23 o 271.0451 5.953345 2156.104       94.63529 2236.138       138.4306 2085.881       129.6678 275.7730 8.569534 266.3593 8.310849 9.413666       11.93764 
1 1 1 6   8  24 o 581.6138 7.640035 9935.553       260.6037 10145.02       376.4478 9742.787       361.1279 587.2163 10.93090 575.4973 10.69959 11.71906       15.29595 
1 1 1 6   8  25 f 421.2542 6.295619 5210.263       155.5368 5259.040       221.4267 5162.754       218.5266 422.9508 8.926671 419.0652 8.891438 3.885529       12.59933 
1 1 1 6   8  26 o 382.0120 6.096167 4285.034       136.5791 4401.180       198.2007 4180.011       188.4705 386.8829 8.735245 377.0615 8.522769 9.821350       12.20418 
1 1 1 6   8  27 o 304.1199 7.541286 2718.267       134.5057 2720.988       155.2143 2710.062       269.5306 304.0335 8.713809 302.2337 15.25532 1.799835       17.56859 
1 1 1 6   8  28 o 114.4895 9.713472 388.7138       64.60642 356.2711       102.6459 409.9981       83.14073 108.3481 16.68858 117.2268 12.27484 -8.878677      20.71667 
1 1 1 6   8  29 o 135.8108 8.862988 545.1367       70.20789 568.7991       109.1746 528.4505       91.67918 138.0149 13.66721 133.2904 11.85137 4.724533       18.08999 
1 1 1 6   8  30 o 121.0403 10.15805 434.7248       71.44460 350.3098       109.6196 497.0619       94.20017 107.0593 18.10345 129.1065 12.60115 -22.04721      22.05729 
1 1 1 6   8  31 o 497.0101 7.174239 7261.157       209.1181 7148.933       285.4373 7391.179       307.2401 492.6190 9.879819 500.7566 10.46166 -8.137512      14.38948 
1 1 1 6   8  32 o 272.3041 6.992640 2180.771       111.5800 2152.678       160.9009 2206.798       154.8678 270.0983 10.17568 273.5595 9.668125 -3.461212      14.03628 
1 1 1 6   8  33 f 116.7783 13.20602 408.3590       88.85983 426.6012       136.2570 394.8591       117.2152 117.8001 20.46473 113.7653 18.17975 4.034866       27.37350 
1 1 1 6   8  34 o 268.7993 6.986748 2125.903       110.0488 2102.912       159.2725 2146.906       152.2313 266.8328 10.19649 269.7156 9.639315 -2.882843      14.03157 
1 1 1 6   8  35 o 126.4798 11.21911 476.4228       82.35797 641.2703       138.8886 387.0236       102.2803 145.7481 16.54066 112.9436 15.87904 32.80447       22.92896 
1 1 1 6   8  36 o 156.8140 13.37827 735.4004       121.8630 787.0023       131.7698 430.4211       320.3449 162.1146 13.99629 116.4753 39.42525 45.63937       41.83595 
1 1 1 6   8  37 o 55.07301 19.49995 80.80989       78.74902 91.70411       81.36578 -80.43774      313.0331 57.51018 19.85891 76.03350 34.05494 -18.52332      39.42227 
1 1 1 6   8  38 o 366.9149 7.509463 3967.284       161.5938 3918.950       175.6344 4233.845       412.4584 364.4963 8.216105 373.7504 18.87803 -9.254120      20.58845 
1 1 1 6   8  39 o 143.7804 11.68557 618.5637       97.68843 652.8779       102.3100 264.2860       328.7402 147.6821 11.91347 99.44788 38.88359 48.23422       40.66773 
1 1 1 6   8  40 o 190.1334 9.053583 1073.538       100.6654 1075.107       106.3233 1059.959       312.7552 190.1345 9.565650 177.7017 31.14443 12.43275       32.58032 
1 1 1 6   8  41 o 148.3817 10.63400 660.0805       91.92598 652.5446       95.86002 746.2816       324.2085 147.3605 11.17522 141.6071 38.17584 5.753433       39.77789 
1 1 1 6   8  42 o 84.64649 17.62750 228.7070       84.66167 237.6769       87.94635 115.3079       312.6999 86.20663 17.97803 82.85820 35.64078 3.348427       39.91835 
1 1 1 6   8  43 o 35.45064 16.33921 -52.81707      78.75664 -66.94682      81.26246 165.7515       319.6073 34.85604 16.24761 85.67278 36.41932 -50.81674      39.87922 
1 1 1 6   8  44 o 54.90588 20.19479 83.10115       85.45235 76.94360       88.40799 170.6003       333.2648 54.24225 20.42546 85.23278 36.72946 -30.99053      42.02681 
1 1 1 6   8  45 o 78.25542 20.60716 204.8575       95.86391 238.6655       99.57575 -223.4215      354.4113 84.60645 20.32309 67.38007 32.15536 17.22638       38.03939 
1 1 1 6   8  46 o 52.00536 21.04131 54.42746       99.51534 38.06954       103.4454 257.5188       364.4962 50.52284 21.05114 89.16441 38.41773 -38.64157      43.80722 
1 1 1 6   8  47 o 45.81553 20.02064 1.765173       101.8947 -37.61261      106.3765 439.7621       354.7771 42.89463 19.47190 99.50021 39.91428 -56.60558      44.41064 
1 1 1 6   8  48 o 256.5418 9.503886 1985.079       142.7442 1989.245       150.5995 1948.250       447.8304 256.4036 10.03432 218.0118 36.30131 38.39183       37.66261 
1 1 1 6   8  49 f 211.6367 11.37794 1371.791       140.7037 1347.098       145.7560 1709.564       539.0829 209.2826 11.92460 174.1461 50.09962 35.13651       51.49920 
1 1 1 6   8  50 o 107.4036 21.87493 401.4021       133.1035 446.0300       136.8695 -376.2399      571.3387 113.8316 21.28417 73.15868 36.17522 40.67291       41.97217 
1 1 1 6   9  0  o 428.4275 11.11504 5401.008       279.0436 5369.421       392.2705 5433.365       397.0271 426.4393 15.71163 428.9562 15.80885 -2.516876      22.28845 
1 1 1 6   9  1  o 207.8850 7.607202 1270.602       92.59035 1266.549       127.6957 1275.096       134.4503 207.3024 10.53776 207.9491 11.06421 -0.6466675     15.27943 
1 1 1 6   9  2  o 183.1125 7.497430 986.1044       80.34549 998.9633       108.9923 970.7999       118.9051 184.0847 10.13460 181.3523 11.23479 2.732422       15.13045 
1 1 1 6   9  3  o 270.9609 6.786036 2156.465       107.7535 2161.857       128.9195 2143.969       196.2711 271.2048 8.114457 269.6548 12.44429 1.549957       14.85614 
1 1 1 6   9  4  o 465.7567 8.691289 6371.474       237.4072 6386.920       276.8745 6328.583       461.3787 466.1865 10.12681 462.8211 17.02687 3.365326       19.81077 
1 1 1 6   9  5  o 425.9401 8.117014 5327.075       202.7661 5291.954       234.3848 5431.542       404.2378 424.4373 9.415979 428.9733 16.09634 -4.536072      18.64813 
1 1 1 6   9  6  o 195.9838 6.684484 1128.556       76.71891 1111.283       89.32939 1177.110       149.7662 194.4025 7.851204 199.6389 12.85980 -5.236374      15.06705 
1 1 1 6   9  7  o 747.4856 11.54624 16420.06       506.1671 16733.42       662.3654 15980.21       784.7528 754.0229 14.97830 736.2200 18.17501 17.80286       23.55166 
1 1 1 6   9  8  o 684.5783 9.101988 13758.88       365.4348 14049.53       569.7821 13555.78       476.2972 691.2027 14.05571 679.2141 11.95696 11.98859       18.45351 
1 1 1 6   9  9  o 299.7675 5.999592 2636.236       105.4768 2675.773       193.5087 2619.524       125.8092 301.6513 10.95637 298.7870 7.179597 2.864380       13.09918 
1 1 1 6   9  10 o 754.2135 10.75089 16701.69       475.5425 16956.15       840.8814 16582.03       576.6049 758.9331 18.89212 751.2775 13.08662 7.655579       22.98199 
1 1 1 6   9  11 o 671.8773 9.764613 13250.00       384.7650 13734.53       698.0538 13038.56       461.1414 683.1165 17.43809 666.3481 11.80001 16.76831       21.05533 
1 1 1 6   9  12 o 865.0611 12.18472 21975.31       618.1771 22003.17       1072.116 21961.43       756.6151 864.3675 21.14915 864.4791 14.92348 -0.1116333     25.88429 
1 1 1 6   9  13 o 228.2661 9.978376 1532.317       133.2605 1552.345       171.4290 1501.734       211.8382 229.5469 12.78443 225.4452 16.12840 4.101761       20.58074 
1 1 1 6   9  14 o 320.4966 9.348269 3017.279       175.5257 2943.112       222.7234 3138.848       285.1471 316.3492 12.02653 326.4677 14.93240 -10.11850      19.17326 
1 1 1 6   9  15 o 181.5682 7.037411 968.6707       74.79631 1119.413       124.1969 882.8828       93.69271 194.9572 10.90575 173.1924 9.257791 21.76477       14.30531 
1 1 1 6   9  16 o 475.0327 7.208301 6620.880       200.8200 6805.782       292.1095 6455.169       276.5348 481.4743 10.34480 468.9235 10.05535 12.55081       14.42654 
1 1 1 6   9  17 o 754.0278 9.547060 16690.23       422.1896 16494.66       586.6735 16900.30       608.0316 749.2123 13.35184 758.3300 13.67154 -9.117676      19.10975 
1 1 1 6   9  18 o 578.1690 7.804146 9809.987       264.6249 9485.783       357.5482 10202.67       393.5024 568.3382 10.72697 589.3685 11.38440 -21.03027      15.64201 
1 1 1 6   9  19 o 384.3808 6.259976 4334.958       141.1188 4117.544       190.9263 4596.755       209.5100 374.5214 8.692378 395.6989 9.027956 -21.17755      12.53242 
1 1 1 6   9  20 o 255.1124 6.192333 1909.669       92.64807 1868.488       134.8674 1946.468       127.4918 252.0883 9.137405 257.3499 8.458593 -5.261658      12.45150 
1 1 1 6   9  21 o 779.2762 9.698531 17839.52       443.2491 18217.74       641.3793 17493.74       613.2633 786.7501 13.90041 771.0264 13.56211 15.72369       19.42041 
1 1 1 6   9  22 o 706.1036 8.913988 14645.87       369.1399 14680.93       521.0688 14610.54       523.0220 706.3383 12.57858 704.6279 12.65638 1.710449       17.84390 
1 1 1 6   9  23 f 349.8237 5.956628 3591.795       122.2082 3723.838       180.0048 3478.893       166.4472 356.0199 8.621035 344.1393 8.246920 11.88055       11.93038 
1 1 1 6   9  24 o 209.4830 6.195018 1289.400       76.02642 1213.463       109.9902 1358.873       105.2046 202.9579 9.264978 214.8845 8.363906 -11.92664      12.48178 
1 1 1 6   9  25 o 63.98696 15.89893 125.8354       59.39993 5.895258       103.8631 184.1327       72.41076 49.25994 20.84307 77.44991 16.45007 -28.18998      26.55256 
1 1 1 6   9  26 o 236.0415 6.123353 1637.185       84.69568 1694.592       126.2859 1590.255       114.1822 239.8630 8.993128 232.4185 8.390549 7.444473       12.29950 
1 1 1 6   9  27 o 316.3941 5.891271 2939.705       109.3171 3027.077       156.9852 2857.453       152.3159 320.7205 8.353168 311.6002 8.342339 9.120239       11.80551 
1 1 1 6   9  28 o 175.3860 6.990062 905.4319       71.75557 878.9098       109.8113 925.1954       94.79255 172.3201 10.92198 177.0552 9.159970 -4.735153      14.25464 
1 1 1 6   9  29 o 389.7622 6.253359 4462.995       142.9432 4539.360       204.5458 4390.102       199.8408 392.7123 8.881076 386.2114 8.822842 6.500946       12.51863 
1 1 1 6   9  30 o 174.6703 7.731692 898.9544       79.00722 1001.162       124.7605 830.5226       102.0857 183.8214 11.63224 167.5376 10.44159 16.28386       15.63125 
1 1 1 6   9  31 o 449.2030 6.937564 5930.464       182.7680 5829.023       253.7566 6039.813       263.4625 444.8593 9.726221 452.7907 9.921349 -7.931396      13.89361 
1 1 1 6   9  32 o 557.9581 7.765756 9155.337       254.1183 8877.469       343.5453 9491.063       377.6219 548.7244 10.67528 567.1698 11.35255 -18.44543      15.58339 
1 1 1 6   9  33 o 39.80072 17.17115 -6.661230      73.00154 -196.9504      117.2793 113.7031       93.27454 36.26475 17.60160 63.36415 21.27359 -27.09941      27.61126 
1 1 1 6   9  34 o 198.9959 8.484892 1168.093       98.79683 1147.456       103.9645 1360.334       317.3124 197.1518 9.015396 209.7979 26.37021 -12.64612      27.86872 
1 1 1 6   9  35 o 157.2931 14.17399 740.8162       129.3521 738.9141       140.5729 751.3240       330.4008 156.7771 15.49088 150.4402 37.56434 6.336807       40.63308 
1 1 1 6   9  36 o 135.5715 15.23834 554.6771       119.0638 455.6955       126.7558 1296.771       347.0725 121.9214 18.29074 201.8303 30.25229 -79.90894      35.35184 
1 1 1 6   9  37 o 188.6813 9.185155 1053.463       101.3349 1043.959       105.7890 1159.241       352.9424 187.7402 9.640271 188.5984 33.11676 -0.8581848     34.49137 
1 1 1 6   9  38 o 193.5662 9.570183 1110.538       108.3058 1075.592       113.0074 1504.485       379.4299 190.3598 10.15913 215.7056 30.87224 -25.34576      32.50082 
1 1 1 6   9  39 o 173.1331 10.06947 891.4906       101.8026 864.7905       106.6918 1162.949       340.1936 170.3489 10.73383 187.1680 32.14958 -16.81917      33.89411 
1 1 1 6   9  40 o 38.91320 17.33714 -25.66939      80.00524 -11.84885      82.80579 -219.6844      310.2529 41.23517 18.03297 66.66796 31.29280 -25.43279      36.11686 
1 1 1 6   9  41 o 99.50450 15.81807 308.4177       89.22337 338.9788       92.95574 -49.38461      318.0632 104.4738 15.65249 74.55233 33.77405 29.92148       37.22482 
1 1 1 6   9  42 o 105.1632 14.82796 342.8703       88.91719 351.2653       92.38914 237.4303       327.4266 106.3017 15.25600 91.88356 37.78945 14.41814       40.75277 
1 1 1 6   9  43 o 52.80096 20.23872 67.33520       87.74762 86.94144       90.85149 -204.9867      338.5915 56.46839 20.81379 68.07080 32.17748 -11.60241      38.32237 
1 1 1 6   9  44 o 103.7013 16.58717 341.6378       97.48227 330.8795       101.3000 476.3515       358.4617 101.5255 17.65369 107.2147 40.95304 -5.689186      44.59602 
1 1 1 6   9  45 o 209.0709 9.592518 1313.266       117.3054 1294.081       122.8401 1511.889       395.2529 207.2457 10.13733 198.0369 35.32726 9.208801       36.75297 
1 1 1 6   9  46 o 97.11768 18.25121 308.6559       100.1383 288.4448       104.0950 559.4589       366.6918 93.05488 19.68919 109.8893 41.55007 -16.83440      45.97905 
1 1 1 6   9  47 o 106.2109 18.29314 370.2527       109.8369 378.7212       115.1267 284.4012       366.5616 106.9830 19.04724 88.91174 38.41874 18.07129       42.88120 
1 1 1 6   9  48 o 58.23510 22.95208 89.40566       115.3276 92.98456       120.8605 52.97972       385.5804 59.29506 23.45675 77.26846 35.80317 -17.97340      42.80288 
1 1 1 6   9  49 o 58.00123 23.86384 76.02077       130.6399 70.85805       133.2563 203.6326       662.5122 57.72483 23.95895 89.21344 42.93909 -31.48861      49.17109 
1 1 1 6   9  50 f 69.21036 24.99864 165.2397       130.0920 151.3540       132.0493 623.2640       758.3981 67.31708 25.04136 97.93996 46.82093 -30.62289      53.09679 
1 1 1 6   10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   10 1  f 268.4947 12.85532 2125.969       201.8393 2125.969       201.8393 0.000000       0.000000 268.4947 12.85532 ?        ?        0.000000       12.85532 
1 1 1 6   10 2  o 321.0211 7.244713 3025.147       136.3971 3062.773       165.0422 2944.079       242.2564 322.8172 8.725418 316.0438 13.09845 6.773468       15.73856 
1 1 1 6   10 3  o 96.30220 7.382658 273.8334       41.37855 295.9645       49.91324 225.2001       73.99140 100.0256 8.591673 86.18755 15.19312 13.83810       17.45416 
1 1 1 6   10 4  o 420.3511 8.071191 5187.594       198.9758 5071.691       228.3179 5553.591       405.7245 415.5422 9.368592 433.8794 15.97179 -18.33716      18.51671 
1 1 1 6   10 5  o 212.2902 5.963837 1323.374       74.17809 1468.449       100.1508 1147.073       110.4044 223.5381 7.650557 197.3987 9.565031 26.13948       12.24830 
1 1 1 6   10 6  o 296.1947 6.756480 2574.404       117.3676 2651.972       143.9257 2420.429       202.7794 300.4646 8.175200 286.7286 12.08585 13.73596       14.59116 
1 1 1 6   10 7  o 285.5530 6.680451 2392.527       111.8776 2489.079       138.4575 2210.906       189.8985 291.1030 8.117898 274.0689 11.84234 17.03415       14.35762 
1 1 1 6   10 8  o 749.8154 9.805229 16505.61       431.1840 17112.67       680.4534 16098.29       557.3718 762.8603 15.20908 740.2004 12.83941 22.65991       19.90393 
1 1 1 6   10 9  o 244.7749 5.476085 1757.499       78.61177 1677.880       119.6987 1817.887       104.2443 238.9576 8.554985 248.8136 7.151196 -9.855942      11.15022 
1 1 1 6   10 10 o 905.4410 12.71963 24079.35       675.4373 24669.88       1207.901 23810.70       814.7178 914.8978 22.51170 900.0315 15.43473 14.86627       27.29482 
1 1 1 6   10 11 o 272.2454 8.822130 2177.322       140.6730 2324.191       194.1001 2014.826       204.1645 281.0950 11.80019 261.5610 13.35354 19.53403       17.82026 
1 1 1 6   10 12 o 172.6226 6.778364 875.5419       68.49012 808.3829       151.4210 892.8160       76.79489 165.0824 15.83382 174.2798 7.531143 -9.197479      17.53363 
1 1 1 6   10 13 o 485.6270 6.841710 6918.768       194.8579 7178.013       287.3674 6698.115       265.1169 494.5150 9.908489 477.7188 9.462687 16.79620       13.70112 
1 1 1 6   10 14 o 217.3185 12.57890 1391.780       159.6357 1245.513       197.5124 1667.321       271.0903 205.1404 16.55753 237.1718 19.66615 -32.03139      25.70816 
1 1 1 6   10 15 o 728.8130 9.260190 15590.39       395.8098 15022.92       530.5718 16302.53       594.3634 715.1379 12.65039 744.8712 13.60568 -29.73328      18.57813 
1 1 1 6   10 16 o 288.3410 8.816446 2442.462       148.9155 2283.139       165.3902 3124.788       342.2676 278.6842 10.13610 325.3361 18.00863 -46.65182      20.66522 
1 1 1 6   10 17 f 807.6511 10.05929 19152.04       476.4767 18986.85       664.7165 19326.61       683.3495 803.6725 14.10285 810.7930 14.37085 -7.120422      20.13483 
1 1 1 6   10 18 o 295.0940 6.118587 2554.822       105.8917 2426.489       148.3734 2688.044       151.1729 287.3742 8.813965 302.4982 8.529713 -15.12396      12.26548 
1 1 1 6   10 19 o 269.7421 6.021539 2134.820       95.25917 2127.068       139.6053 2141.573       130.3083 269.0189 8.860568 269.9772 8.239542 -0.9583435     12.09958 
1 1 1 6   10 20 o 492.8152 6.961887 7127.994       201.2156 7056.577       277.9425 7206.644       291.6777 490.1420 9.669024 495.2937 10.04130 -5.151703      13.93979 
1 1 1 6   10 21 o 253.4367 5.960175 1884.852       88.58882 1833.897       127.3440 1932.638       123.3200 249.7328 8.707977 256.4141 8.211098 -6.681335      11.96875 
1 1 1 6   10 22 o 247.1216 5.883098 1792.246       85.26433 1846.144       127.3826 1748.496       114.7658 250.5396 8.682405 243.8688 8.035246 6.670822       11.83002 
1 1 1 6   10 23 o 564.2915 7.490016 9351.801       247.8773 9224.358       341.9964 9492.843       359.7825 560.0322 10.41257 568.0601 10.79929 -8.027954      15.00154 
1 1 1 6   10 24 o 247.8206 10.26067 1809.965       148.8070 1872.470       186.5745 1700.694       246.6875 251.7440 12.67777 239.0081 17.72499 12.73582       21.79222 
1 1 1 6   10 25 o 217.6181 6.152867 1391.678       78.44892 1317.139       117.2714 1452.050       105.5406 211.3891 9.483446 222.1195 8.115458 -10.73047      12.48184 
1 1 1 6   10 26 o 343.5918 5.870512 3466.506       118.2958 3662.602       174.7602 3300.668       160.7122 352.9222 8.443316 335.0599 8.178545 17.86237       11.75492 
1 1 1 6   10 27 o 369.1042 6.041399 4001.365       130.7787 4117.111       186.6201 3889.673       183.3220 374.1133 8.505597 363.6208 8.596375 10.49249       12.09309 
1 1 1 6   10 28 o 381.8225 6.132083 4282.506       137.3157 4271.032       192.4747 4294.398       195.9595 380.9890 8.614118 382.0096 8.746648 -1.020538      12.27627 
1 1 1 6   10 29 o 223.5479 6.355600 1469.428       83.24089 1499.394       124.2379 1445.017       112.1316 225.4530 9.416828 221.4234 8.651483 4.029648       12.78768 
1 1 1 6   10 30 o 283.4602 6.265110 2360.562       104.1529 2387.682       150.8375 2335.849       143.9899 284.6541 9.046762 281.5917 8.729442 3.062347       12.57168 
1 1 1 6   10 31 o 313.5662 7.302037 2890.461       134.2839 2980.377       147.0776 2440.037       329.1839 318.3407 7.877781 285.1941 19.80404 33.14667       21.31336 
1 1 1 6   10 32 o 392.7738 7.487771 4536.157       172.4827 4610.856       192.2026 4227.140       390.9250 395.8749 8.278482 376.4008 17.75902 19.47415       19.59377 
1 1 1 6   10 33 o 399.8757 7.379200 4702.533       173.0553 4778.067       193.7292 4404.215       385.0021 402.9376 8.197978 384.1840 17.13037 18.75360       18.99096 
1 1 1 6   10 34 o 214.3939 8.236110 1355.282       103.3657 1366.062       108.9396 1257.954       327.3442 215.1856 8.649836 200.5640 28.64175 14.62155       29.91939 
1 1 1 6   10 35 o 46.04263 21.00941 -75.53297      125.8700 -20.75152      137.1281 -368.6640      317.2054 53.14102 23.22355 63.82415 30.44797 -10.68313      38.29376 
1 1 1 6   10 36 f 210.9633 13.81814 1329.411       170.0238 1410.582       197.1358 1093.686       335.9444 216.7968 15.60914 183.8520 32.33652 32.94473       35.90676 
1 1 1 6   10 37 o 48.08013 19.23145 36.84170       82.11527 40.73856       84.76214 -22.64684      331.1780 49.23721 19.59042 81.22266 35.77419 -31.98545      40.78697 
1 1 1 6   10 38 o 170.3322 10.40224 862.6876       103.4185 806.2088       107.7628 1521.117       367.9434 164.4484 11.24108 217.3116 29.64194 -52.86324      31.70183 
1 1 1 6   10 39 o 126.2025 12.38824 479.6191       90.51102 486.7287       93.93385 387.3626       338.3748 127.0370 12.78139 109.2329 40.18454 17.80408       42.16825 
1 1 1 6   10 40 o 193.8059 9.514618 1118.188       107.8150 1105.615       112.1748 1270.568       390.5189 192.5706 9.966320 189.1939 36.51798 3.376709       37.85354 
1 1 1 6   10 41 o 35.54582 16.53352 -67.43306      83.43508 -74.40358      85.88265 49.65808       351.9938 35.61449 16.63484 82.67678 36.62639 -47.06229      40.22699 
1 1 1 6   10 42 o 32.74607 15.66249 -107.7417      85.09982 -75.58072      87.52341 -664.4531      364.1450 35.85428 16.76195 57.52520 28.52205 -21.67091      33.08278 
1 1 1 6   10 43 o 129.5960 12.92117 513.8892       96.89987 527.2814       100.4742 335.6445       366.5536 131.1530 13.24372 98.48059 40.18329 32.67242       42.30949 
1 1 1 6   10 44 o 118.4579 14.92465 438.3663       101.3891 427.0266       105.4204 578.1854       370.1745 116.4539 15.84619 114.7936 42.06358 1.660233       44.94938 
1 1 1 6   10 45 o 142.4141 12.66270 622.9253       104.6605 655.8466       108.6041 194.1571       391.9394 146.0798 12.80608 87.48570 38.70811 58.59409       40.77148 
1 1 1 6   10 46 f 77.42920 22.02190 205.7930       104.7397 231.0662       109.2166 -83.65805      369.6124 81.88802 22.19237 72.34814 34.02070 9.539879       40.61908 
1 1 1 6   10 47 o 83.01019 22.27310 239.8561       110.6772 282.9524       115.9280 -203.8148      371.9624 90.36283 22.06853 67.39875 32.37097 22.96408       39.17780 
1 1 1 6   10 48 o 150.6226 14.32912 713.1089       125.0555 738.1348       132.3546 504.8029       381.8516 152.8097 14.96000 101.2820 41.12983 51.52763       43.76603 
1 1 1 6   10 49 o 74.35873 25.91390 197.6135       138.6938 177.0354       144.1204 455.5354       510.2305 71.56100 26.24220 95.59654 43.09189 -24.03555      50.45358 
1 1 1 6   11 0  o 582.1572 12.09142 9963.580       412.8272 0.000000       0.000000 9963.580       412.8272 ?        ?        582.1572 12.09142 0.000000       12.09142 
1 1 1 6   11 1  o 262.3137 12.95123 2028.450       198.6267 2028.450       198.6267 0.000000       0.000000 262.3137 12.95123 ?        ?        0.000000       12.95123 
1 1 1 6   11 2  o 688.3489 13.61047 13937.21       549.4552 13323.02       654.0490 15410.27       1012.898 672.5097 16.58293 721.0939 23.98436 -48.58417      29.15893 
1 1 1 6   11 3  o 803.5050 13.42647 18986.06       632.7046 18714.18       724.0722 19864.04       1301.166 797.3569 15.48384 817.8480 27.16518 -20.49103      31.26813 
1 1 1 6   11 4  o 572.8607 10.23815 9638.143       343.9703 9683.745       403.4060 9516.680       658.3699 574.0496 11.98236 567.6934 19.80484 6.356201       23.14754 
1 1 1 6   11 5  o 541.5211 8.914301 8608.393       283.1087 8943.581       372.8386 8151.946       435.0819 551.7628 11.52174 526.3528 14.10702 25.40991       18.21424 
1 1 1 6   11 6  o 826.6802 11.46083 20072.66       555.6536 20755.34       816.1102 19482.72       758.6572 839.8735 16.56855 813.8282 15.89507 26.04535       22.96018 
1 1 1 6   11 7  o 687.3067 10.72046 13870.42       432.1303 14258.07       567.5024 13335.48       666.6495 696.5359 13.89229 673.0596 16.90197 23.47632       21.87858 
1 1 1 6   11 8  o 260.8396 5.428128 1995.728       83.03747 2143.530       129.5684 1892.710       108.1720 270.1492 8.187406 253.8832 7.272403 16.26593       10.95087 
1 1 1 6   11 9  o 144.6730 5.734462 614.9186       48.55896 583.3294       77.93647 634.9628       62.08194 140.6588 9.503427 146.9360 7.226381 -6.277145      11.93883 
1 1 1 6   11 10 o 681.7684 9.116576 13640.90       364.5181 13867.55       561.9609 13476.26       478.9463 687.0396 13.94678 677.4382 12.05498 9.601379       18.43462 
1 1 1 6   11 11 o 762.7047 10.96196 17078.13       490.3375 17259.21       863.5536 16991.97       595.6790 765.5687 19.24860 760.5637 13.35446 5.005005       23.42755 
1 1 1 6   11 12 o 881.5831 12.49083 22825.62       645.8104 22978.06       1128.962 22751.48       787.3562 883.1190 21.79765 879.8133 15.25914 3.305664       26.60787 
1 1 1 6   11 13 o 512.8042 8.469579 7716.962       254.7205 7731.271       439.3641 7709.718       312.6189 512.6950 14.62713 512.4668 10.40157 0.2282104      17.94841 
1 1 1 6   11 14 o 372.5000 10.93646 4077.619       238.6619 4145.421       312.3562 3982.512       369.9417 375.3110 14.21655 367.5396 17.21022 7.771454       22.32268 
1 1 1 6   11 15 o 342.4998 7.649252 3442.161       153.6490 3451.774       302.7141 3438.825       178.3278 342.3149 15.11571 342.1783 8.893741 0.1366272      17.53805 
1 1 1 6   11 16 o 230.1972 13.99413 1563.320       188.0356 1595.386       240.8936 1513.314       300.8271 232.1239 17.83173 225.2818 23.09542 6.842133       29.17823 
1 1 1 6   11 17 o 259.8447 6.215961 1980.933       94.72676 2151.028       151.4098 1871.535       121.4261 270.5087 9.558843 252.3866 8.214370 18.12210       12.60347 
1 1 1 6   11 18 o 139.1117 7.979577 569.8721       64.82883 690.7150       111.5709 508.2762       79.65558 152.7859 12.56223 131.1371 10.44336 21.64882       16.33626 
1 1 1 6   11 19 o 335.2172 6.090633 3297.219       119.7400 3302.310       168.4969 3292.025       170.1916 335.2624 8.576566 334.7321 8.676741 0.5303345      12.20014 
1 1 1 6   11 20 o 781.8775 11.15741 17970.27       511.6259 17429.63       603.2150 19356.25       965.8204 769.6198 13.36428 808.9275 20.37427 -39.30774      24.36626 
1 1 1 6   11 21 o 595.9564 7.785004 10428.86       272.0970 10325.02       378.0999 10540.40       391.8763 592.6005 10.87913 598.7081 11.16049 -6.107544      15.58564 
1 1 1 6   11 22 o 493.4762 6.838501 7149.502       197.9145 7469.742       291.8627 6876.891       269.2854 504.0784 9.872564 483.7070 9.492485 20.37134       13.69580 
1 1 1 6   11 23 o 140.8244 7.162781 583.9182       58.96325 688.1816       101.2063 530.3434       72.54733 152.4801 11.39983 133.9930 9.289356 18.48708       14.70539 
1 1 1 6   11 24 f 172.6951 6.381652 876.9315       64.52322 1100.917       111.7197 764.8247       79.03786 193.1925 9.893216 161.0912 8.394870 32.10130       12.97496 
1 1 1 6   11 25 o 457.1016 6.603606 6136.947       177.0290 6192.903       251.8731 6082.318       248.8675 458.8047 9.360597 454.6942 9.332506 4.110413       13.21803 
1 1 1 6   11 26 o 348.7494 5.941252 3571.730       121.5184 3589.878       172.9611 3554.040       170.7658 349.3760 8.441212 347.6355 8.375800 1.740448       11.89151 
1 1 1 6   11 27 o 161.5142 10.58993 772.0801       99.75903 831.8489       110.7340 514.6039       229.8330 167.5663 11.33463 127.3030 31.06281 40.26322       33.06617 
1 1 1 6   11 28 o 107.5823 15.83026 350.4816       96.89683 413.9979       106.1941 34.64671       236.8033 117.0950 15.87189 74.81693 31.55501 42.27809       35.32188 
1 1 1 6   11 29 o 529.6921 7.810637 8251.584       242.6389 8225.160       277.2609 8338.010       501.4335 528.6033 8.943515 529.6913 16.16026 -1.087952      18.46998 
1 1 1 6   11 30 o 191.2477 8.394104 1078.165       93.92081 1117.826       99.85526 773.9292       276.5622 194.6945 8.767633 156.4160 31.24228 38.27852       32.44922 
1 1 1 6   11 31 o 348.6803 7.935516 3575.763       162.2756 3575.763       162.2756 0.000000       0.000000 348.6803 7.935516 ?        ?        0.000000       7.935516 
1 1 1 6   11 32 o 435.5927 7.417828 5579.293       189.4994 5489.131       208.9299 5997.515       449.9779 431.9183 8.247997 448.6421 17.13324 -16.72382      19.01519 
1 1 1 6   11 33 o 366.1322 7.333052 3942.744       157.4611 3950.384       172.3562 3904.185       387.2054 366.3790 8.021320 361.0671 18.34546 5.311829       20.02242 
1 1 1 6   11 34 o 253.9668 7.973826 1900.775       118.6194 1897.194       126.3911 1927.237       343.5765 253.6403 8.508694 251.0083 23.61664 2.631958       25.10266 
1 1 1 6   11 35 o 178.4703 9.336266 942.3483       97.38156 914.5319       101.6387 1253.695       340.0401 175.7115 9.903063 198.6269 30.13535 -22.91539      31.72081 
1 1 1 6   11 36 o 58.43772 19.99139 95.85960       82.39696 140.5715       85.11600 -570.6104      328.6171 67.60916 20.03774 58.48425 28.62160 9.124916       34.93861 
1 1 1 6   11 37 o 251.9163 8.098848 1873.432       119.4993 1890.894       126.2728 1723.648       369.8294 252.9985 8.522397 233.6051 27.52164 19.39334       28.81097 
1 1 1 6   11 38 o 191.8943 9.699366 1092.773       108.8041 1038.722       113.7400 1675.297       373.3943 186.9048 10.41751 228.5169 28.47738 -41.61206      30.32302 
1 1 1 6   11 39 o 211.1259 9.072302 1322.827       112.0714 1283.358       117.7566 1702.228       365.0947 207.7721 9.690482 229.0325 27.74556 -21.26035      29.38914 
1 1 1 6   11 40 o 135.4033 12.33044 554.1642       96.84401 530.7233       100.8861 829.2318       345.5917 132.2032 13.18760 149.0644 39.06585 -16.86124      41.23170 
1 1 1 6   11 41 o 133.0613 12.68042 537.9579       97.75951 490.1206       101.6023 1134.709       358.8531 126.5008 13.92498 176.3508 35.91821 -49.85004      38.52302 
1 1 1 6   11 42 o 102.4532 16.90669 331.5152       98.04596 355.6305       101.6890 12.92170       369.6118 106.1947 16.89277 80.84932 36.53871 25.34541       40.25473 
1 1 1 6   11 43 o 174.9251 10.62618 922.0806       108.4992 922.2313       112.7387 920.1897       399.4020 174.7460 11.05727 145.6949 43.46159 29.05110       44.84610 
1 1 1 6   11 44 o 138.7467 13.66665 594.3158       109.7656 572.6086       113.9058 876.7443       410.8640 135.7280 14.53565 137.5713 44.58192 -1.843231      46.89171 
1 1 1 6   11 45 o 85.58654 20.99225 247.3009       104.5557 257.9801       108.3316 102.0683       399.5013 87.27599 21.34457 83.03487 37.70984 4.241112       43.33154 
1 1 1 6   11 46 o 59.06212 22.39436 98.85344       106.6965 161.3481       111.3585 -600.9994      372.6533 69.31772 23.24422 57.31902 28.49345 11.99870       36.77187 
1 1 1 6   11 47 o 114.5075 17.25232 425.2969       112.2654 375.4077       116.7470 1037.937       409.1147 106.1074 19.47830 144.3334 44.18973 -38.22603      48.29220 
1 1 1 6   11 48 f 62.63844 23.76483 119.7578       120.1990 130.6597       125.6299 1.780548       413.2781 64.53880 24.33853 76.05526 35.82905 -11.51646      43.31379 
1 1 1 6   11 49 o 117.1255 21.08450 469.4570       139.5069 460.4503       145.4821 572.3942       491.8277 114.9468 22.38584 100.8919 44.03879 14.05486       49.40183 
1 1 1 6   12 0  o 305.3071 12.86952 2744.464       229.9188 2744.464       229.9188 0.000000       0.000000 305.3071 12.86952 ?        ?        0.000000       12.86952 
1 1 1 6   12 1  o 449.9310 13.27872 5955.708       350.0074 5955.708       350.0074 0.000000       0.000000 449.9310 13.27872 ?        ?        0.000000       13.27872 
1 1 1 6   12 2  o 458.2682 13.14525 6177.432       352.9312 6177.432       352.9312 0.000000       0.000000 458.2682 13.14525 ?        ?        0.000000       13.14525 
1 1 1 6   12 3  o 670.3439 10.66556 13195.96       419.3065 12233.38       602.7803 14098.44       583.6599 644.8600 15.93834 692.4813 14.37147 -47.62122      21.46089 
1 1 1 6   12 4  o 448.8053 6.707890 5909.770       176.5608 5753.664       323.4686 5976.017       210.7203 442.3697 12.48046 451.2640 7.962054 -8.894348      14.80392 
1 1 1 6   12 5  o 80.83163 13.62722 197.2447       62.30597 115.3634       128.7722 222.2730       71.19437 68.72187 24.86481 85.76316 14.68214 -17.04129      28.87601 
1 1 1 6   12 6  o 242.9541 7.148518 1733.318       101.7462 1894.316       175.9303 1652.407       124.7193 253.7013 11.85688 237.1115 8.984979 16.58978       14.87668 
1 1 1 6   12 7  o 573.1029 9.332631 9639.789       313.6803 9960.774       410.6188 9189.964       486.0925 582.3977 12.02178 559.0010 14.84022 23.39673       19.09856 
1 1 1 6   12 8  o 82.60767 7.334453 201.7867       35.16457 251.2409       44.94353 123.7238       56.46613 92.14868 8.408805 63.61549 15.31883 28.53319       17.47497 
1 1 1 6   12 9  o 35.09022 9.176908 37.46234       19.09674 38.61837       24.23655 35.56948       31.01315 36.04675 10.69477 36.20353 12.26691 -0.1567802     16.27437 
1 1 1 6   12 10 o 134.0515 5.268751 527.9003       41.34122 541.8113       71.29910 520.8547       50.74170 135.5766 9.018298 133.0876 6.520800 2.489014       11.12882 
1 1 1 6   12 11 o 211.7835 6.520504 1317.047       80.89211 1191.076       188.7355 1345.395       89.53251 200.6295 16.17720 214.0237 7.142943 -13.39427      17.68399 
1 1 1 6   12 12 o 406.8055 7.590478 4855.730       181.0950 4603.104       310.6891 4985.727       222.8705 395.6043 13.41043 412.1562 9.220198 -16.55182      16.27427 
1 1 1 6   12 13 o 608.0635 9.507570 10852.84       339.0541 10586.00       572.7849 10996.77       420.6719 599.7539 16.29937 611.9268 11.72178 -12.17285      20.07659 
1 1 1 6   12 14 o 396.4235 7.779422 4611.462       180.8661 4800.438       353.8133 4544.610       210.4398 403.8139 14.96561 393.4888 9.118954 10.32513       17.52497 
1 1 1 6   12 15 o 776.2406 11.37611 17696.82       517.8936 16598.43       819.0068 18428.64       668.5186 750.7803 18.60048 791.7545 14.39701 -40.97424      23.52131 
1 1 1 6   12 16 o 591.5442 9.348513 10272.83       324.3249 9908.905       531.5901 10488.60       409.3347 580.1695 15.63751 597.5337 11.68061 -17.36420      19.51842 
1 1 1 6   12 17 o 406.1043 7.703670 4840.225       183.4787 4772.850       321.2997 4872.828       223.5054 402.6748 13.62484 407.3874 9.354700 -4.712585      16.52715 
1 1 1 6   12 18 o 539.5284 7.333823 8543.452       232.0573 8455.182       320.4577 8640.773       336.4858 536.5137 10.18449 542.3335 10.57913 -5.819824      14.68475 
1 1 1 6   12 19 o 503.7241 7.821136 7449.141       231.0538 7323.113       283.1252 7700.434       399.7926 499.2930 9.668800 511.4161 13.34077 -12.12311      16.47610 
1 1 1 6   12 20 o 582.8839 7.697349 9975.528       263.1320 9798.063       360.3883 10178.15       385.0883 577.3420 10.64356 588.3628 11.16001 -11.02081      15.42178 
1 1 1 6   12 21 o 649.1072 11.99989 12398.88       456.8190 12836.82       659.3094 11994.50       633.5402 659.0706 17.07153 637.0948 16.97096 21.97583       24.07179 
1 1 1 6   12 22 o 497.9454 8.096159 7284.239       236.4348 7370.839       285.3071 7094.384       422.4395 500.6938 9.716052 490.1595 14.71189 10.53433       17.63069 
1 1 1 6   12 23 o 262.1235 7.645718 2020.289       117.4114 2075.380       133.0074 1825.833       249.8891 265.5868 8.550372 247.7545 17.30673 17.83229       19.30367 
1 1 1 6   12 24 o 143.5490 11.17661 610.5790       93.35270 611.2733       103.1212 607.4264       219.7397 143.4633 12.37713 139.7071 27.79702 3.756210       30.42807 
1 1 1 6   12 25 o 170.7377 10.02062 861.1245       99.89904 912.2593       110.4953 632.2199       233.7827 175.6528 10.77790 142.1019 29.03379 33.55090       30.96973 
1 1 1 6   12 26 o 368.8402 6.544429 3996.754       141.5665 4045.266       159.9378 3821.229       304.2253 370.9814 7.351032 359.0660 14.47644 11.91537       16.23592 
1 1 1 6   12 27 o 291.0169 7.507235 2491.578       128.0224 2489.852       143.8433 2498.152       280.7909 290.7906 8.443428 289.5779 16.60318 1.212646       18.62678 
1 1 1 6   12 28 o 349.4524 6.561043 3588.316       134.4657 3556.990       148.6449 3729.412       315.4691 347.8402 7.286514 354.3492 15.21556 -6.508972      16.87029 
1 1 1 6   12 29 o 118.3215 10.71766 416.1071       73.56700 402.9327       76.67274 568.9149       261.1253 116.3163 11.38523 133.2542 33.46407 -16.93797      35.34781 
1 1 1 6   12 30 o 192.2482 8.609983 1089.737       96.83039 1111.397       101.8059 884.2532       313.5714 194.1086 8.967113 166.7781 33.22618 27.33051       34.41494 
1 1 1 6   12 31 o 62.57700 20.07701 114.5750       83.46194 117.6776       86.54693 73.36684       315.4119 63.47871 20.45212 87.48404 36.62748 -24.00533      41.95070 
1 1 1 6   12 32 o 191.0368 8.902068 1076.906       99.46323 1072.448       104.5350 1119.538       323.2445 190.5742 9.381756 188.9370 30.18734 1.637192       31.61159 
1 1 1 6   12 33 o 267.2523 7.571312 2103.091       118.5510 2064.620       125.4437 2424.588       362.6347 264.7172 8.089581 282.7833 22.03972 -18.06616      23.47745 
1 1 1 6   12 34 o 225.0735 8.512159 1494.811       112.1583 1524.907       118.1892 1222.289       355.6513 227.2682 8.884359 195.4675 32.14020 31.80072       33.34553 
1 1 1 6   12 35 o 200.2271 8.911175 1184.860       104.3804 1172.561       109.3590 1310.787       349.9270 199.0970 9.392152 202.8276 30.34847 -3.730545      31.76857 
1 1 1 6   12 36 o 117.0024 12.90319 411.5444       87.07191 437.6422       89.89555 15.57814       350.1588 120.6975 12.89934 85.62599 37.27032 35.07147       39.43944 
1 1 1 6   12 37 o 132.3718 12.65341 525.8926       97.03799 513.0689       100.4297 706.1887       376.5713 130.5769 13.29975 141.6787 42.18604 -11.10185      44.23285 
1 1 1 6   12 38 o 176.0004 9.859247 920.6293       101.3604 877.9405       105.2374 1468.176       376.8979 171.7038 10.50079 211.2863 31.36658 -39.58250      33.07762 
1 1 1 6   12 39 o 127.5191 18.54313 507.5275       134.6178 519.3018       145.2759 436.0011       358.0635 128.4382 19.93200 112.2987 41.33287 16.13951       45.88781 
1 1 1 6   12 40 o 177.1684 9.705869 936.9065       100.4637 941.6193       104.5916 880.7122       361.1624 177.4896 10.08941 152.1551 39.96538 25.33452       41.21926 
1 1 1 6   12 41 o 195.2237 9.826180 1139.676       112.1423 1138.861       117.4899 1148.023       375.9878 194.9632 10.31204 174.8851 37.76485 20.07809       39.14743 
1 1 1 6   12 42 o 133.6408 12.96803 545.5831       100.3637 545.2925       104.0849 549.4296       378.7309 133.3887 13.49033 115.6545 42.51905 17.73418       44.60783 
1 1 1 6   12 43 o 139.2602 13.61204 597.1783       109.7555 616.1729       114.2876 371.8339       393.6477 141.2972 13.97443 99.96239 41.30582 41.33477       43.60568 
1 1 1 6   12 44 o 91.23443 20.16112 276.5431       104.9992 265.1032       108.7927 432.0544       401.1157 88.80509 21.18584 102.3621 41.93245 -13.55701      46.98053 
1 1 1 6   12 45 o 46.66624 20.27570 5.424967       103.2408 -19.57829      106.6049 382.9328       414.2303 44.78504 19.97911 97.33836 41.42287 -52.55331      45.98933 
1 1 1 6   12 46 o 60.62208 22.47904 110.1630       106.2499 158.7095       110.2546 -521.9268      397.8387 68.70787 23.12948 61.09953 30.20762 7.608337       38.04567 
1 1 1 6   12 47 o 83.12128 22.32841 241.4894       111.1499 263.8337       115.6692 -27.80713      401.5591 86.79960 22.52861 75.16711 35.38180 11.63249       41.94532 
1 1 1 6   12 48 o 113.0846 20.05786 431.7228       128.1558 429.0966       132.7128 468.0058       493.2870 112.0734 20.96148 96.52626 43.02478 15.54713       47.85933 
1 1 1 6   12 49 o 170.9060 14.36948 921.0193       142.6960 886.1100       147.8244 1398.119       546.4875 166.8704 15.27406 145.7213 51.38960 21.14911       53.61145 
1 1 1 6   13 0  o 629.5528 16.41450 11665.33       605.5356 11665.33       605.5356 0.000000       0.000000 629.5528 16.41450 ?        ?        0.000000       16.41450 
1 1 1 6   13 1  o 407.0745 12.73711 4872.780       303.7111 4872.780       303.7111 0.000000       0.000000 407.0745 12.73711 ?        ?        0.000000       12.73711 
1 1 1 6   13 2  o 519.8104 14.17441 7946.624       431.7130 7946.624       431.7130 0.000000       0.000000 519.8104 14.17441 ?        ?        0.000000       14.17441 
1 1 1 6   13 3  o 719.3463 14.27938 15206.59       602.4178 14894.02       736.1202 15840.42       1048.242 711.5123 17.64070 732.2665 24.44280 -20.75421      30.14374 
1 1 1 6   13 4  o 498.3526 8.540542 7288.201       249.6161 7341.900       402.2429 7254.572       318.3236 499.6995 13.73856 497.0830 10.91917 2.616516       17.54925 
1 1 1 6   13 5  o 486.2009 8.497309 6936.902       242.2968 7100.035       394.6582 6838.216       306.9566 491.4107 13.70726 482.6207 10.84477 8.790009       17.47850 
1 1 1 6   13 6  o 656.1830 8.884729 12635.88       341.9162 12620.29       638.7516 12642.14       404.7929 654.9352 16.64314 656.2441 10.51761 -1.308899      19.68792 
1 1 1 6   13 7  o 820.7640 12.58126 19784.45       605.6097 20541.64       1017.295 19368.79       753.7209 835.2188 20.76807 811.7333 15.83240 23.48547       26.11470 
1 1 1 6   13 8  o 244.9647 6.243744 1761.467       89.62828 2228.747       193.7577 1634.259       101.0946 275.2333 12.03257 235.9002 7.316014 39.33304       14.08214 
1 1 1 6   13 9  o 715.2808 12.90944 15027.67       541.5447 15692.95       798.8729 14462.03       736.6281 730.0475 18.67380 700.9248 17.93425 29.12268       25.89108 
1 1 1 6   13 10 o 606.9747 11.67073 10818.45       415.4503 11155.67       597.9491 10503.74       577.6475 615.7067 16.57429 597.4410 16.50188 18.26569       23.38845 
1 1 1 6   13 11 o 693.6738 12.93985 14135.05       526.4232 13774.03       708.2431 14580.72       786.9041 684.0112 17.66983 703.5399 19.08904 -19.52863      26.01181 
1 1 1 6   13 12 o 611.4656 12.31828 10982.07       441.7460 11256.63       618.6021 10696.36       631.0297 618.3574 17.07408 602.6461 17.87381 15.71130       24.71836 
1 1 1 6   13 13 o 630.0328 10.64308 11654.97       393.2610 11699.42       488.0872 11572.72       663.9576 631.0136 13.18889 626.7809 18.08124 4.232727       22.38030 
1 1 1 6   13 14 o 303.2950 12.02919 2706.413       213.5453 2742.990       274.9496 2650.808       339.0107 305.0178 15.42015 299.3558 19.41440 5.662048       24.79315 
1 1 1 6   13 15 o 913.8455 13.88326 24550.21       744.0717 25577.52       990.1592 23217.51       1127.773 931.9496 18.11599 887.0992 21.67699 44.85040       28.25032 
1 1 1 6   13 16 o 370.5603 6.798785 4029.243       147.7545 4213.319       167.7045 3390.694       312.3509 378.9015 7.546887 339.0846 15.74969 39.81686       17.46449 
1 1 1 6   13 17 o 600.6205 8.414592 10590.51       296.4038 10754.73       347.4279 10151.31       568.1653 605.1373 9.789492 586.8493 16.52457 18.28802       19.20666 
1 1 1 6   13 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   13 19 o 312.8119 7.440142 2872.683       136.4944 2940.864       155.5202 2644.047       284.7923 316.3421 8.390018 299.0152 16.30160 17.32687       18.33397 
1 1 1 6   13 20 o 455.8224 7.069314 6099.917       188.9833 6072.589       213.9803 6196.814       402.9217 454.7230 8.023730 458.2402 15.01287 -3.517181      17.02253 
1 1 1 6   13 21 o 244.8717 6.336880 1761.402       90.92838 1770.281       98.62423 1711.078       234.7955 245.4518 6.857926 240.0751 16.78169 5.376694       18.12888 
1 1 1 6   13 22 o 165.1678 7.184620 802.7463       69.42880 819.9336       73.75816 669.0995       205.6771 166.8997 7.554949 147.8196 24.58825 19.08012       25.72274 
1 1 1 6   13 23 o 564.2911 7.995549 9358.069       264.6074 9471.782       311.4784 9063.203       501.5732 567.4775 9.358985 553.4471 15.46799 14.03040       18.07897 
1 1 1 6   13 24 o 323.9242 6.379585 3081.623       121.1955 3156.691       134.4133 2755.263       280.2598 327.7949 6.991809 304.7017 15.73654 23.09317       17.21988 
1 1 1 6   13 25 o 121.6644 9.112803 437.9811       64.55045 444.8057       67.34161 360.7364       226.5587 122.5741 9.440412 107.9349 32.85284 14.63914       34.18232 
1 1 1 6   13 26 o 177.6596 7.489238 929.5396       77.85769 930.9477       81.86037 916.1885       252.0708 177.7543 7.871935 172.4816 25.70260 5.272705       26.88105 
1 1 1 6   13 27 o 188.1285 7.325546 1042.060       80.67039 1084.759       84.90506 645.7563       258.6664 191.9251 7.557902 142.4317 31.77414 49.49339       32.66065 
1 1 1 6   13 28 o 224.2914 7.094550 1480.225       93.20548 1490.929       98.99785 1396.698       276.5405 225.0556 7.510941 214.6217 22.29471 10.43390       23.52590 
1 1 1 6   13 29 o 358.8589 7.073984 3785.292       148.8807 3742.464       162.8713 4002.942       367.1637 356.7337 7.784843 366.5412 17.12730 -9.807526      18.81351 
1 1 1 6   13 30 o 222.1655 10.74860 1458.616       139.6332 1474.045       156.6733 1399.036       307.8764 223.1261 12.01710 213.9601 25.00645 9.165970       27.74407 
1 1 1 6   13 31 o 31.38732 15.00081 -105.0448      77.73320 -74.12908      80.23338 -578.0392      313.8293 34.63149 16.14343 56.97300 27.90050 -22.34151      32.23427 
1 1 1 6   13 32 o 296.7351 7.387984 2589.820       128.5717 2618.412       137.8176 2397.925       357.0404 298.2028 7.887218 281.5061 21.79580 16.69669       23.17898 
1 1 1 6   13 33 f 144.3858 11.21824 619.6859       94.24995 649.5470       97.90951 242.4800       347.9852 147.8150 11.38180 102.2507 39.99794 45.56426       41.58582 
1 1 1 6   13 34 o 130.4071 11.81612 507.5853       89.39066 483.9590       93.17352 780.9510       316.9326 127.1432 12.66357 153.6741 35.82851 -26.53085      38.00063 
1 1 1 6   13 35 o 350.8038 7.388301 3623.936       152.0056 3563.176       163.2998 4018.165       415.9591 347.7228 8.007593 364.3508 19.53762 -16.62796      21.11492 
1 1 1 6   13 36 o 149.9450 11.28539 670.0327       98.51447 652.3390       102.2779 897.2716       366.5336 147.8083 11.89913 161.9812 39.04396 -14.17288      40.81691 
1 1 1 6   13 37 o 296.8952 7.856027 2602.172       136.6705 2582.174       144.8440 2764.514       412.6891 295.6200 8.362820 298.1107 23.80205 -2.490662      25.22845 
1 1 1 6   13 38 o 96.66939 16.76341 290.3872       91.59568 295.8355       94.76372 212.9639       357.2284 97.45613 17.20896 96.35115 39.53247 1.104980       43.11571 
1 1 1 6   13 39 o 40.86883 19.27141 -119.0330      120.0807 -117.2138      128.0146 -132.3595      346.4814 42.74722 20.07623 74.23654 34.23553 -31.48933      39.68787 
1 1 1 6   13 40 o 272.6202 8.305068 2206.462       132.6310 2191.064       140.4463 2333.378       403.2167 271.4480 8.833890 266.4525 26.13887 4.995453       27.59127 
1 1 1 6   13 41 o 68.27660 21.12370 149.6971       93.18748 156.2027       96.55602 61.30892       355.9035 69.60985 21.49626 82.48714 36.66982 -12.87729      42.50605 
1 1 1 6   13 42 o 51.30897 21.07782 41.48376       101.7129 15.59991       105.1847 414.2710       399.1801 48.79791 20.82324 104.5048 42.19217 -55.70684      47.05089 
1 1 1 6   13 43 o 81.37054 21.52332 222.6334       104.2784 225.9550       108.0722 177.7984       397.0531 81.79951 22.03624 88.17311 38.98852 -6.373596      44.78505 
1 1 1 6   13 44 o 94.05650 20.54455 295.5284       110.1482 285.0124       114.5112 425.6909       402.8716 91.77331 21.63156 101.2257 41.80343 -9.452385      47.06858 
1 1 1 6   13 45 o 208.4105 10.70498 1316.759       130.4063 1303.273       136.9576 1447.691       426.7439 206.9343 11.32825 183.1192 40.78247 23.81509       42.32658 
1 1 1 6   13 46 o 42.76930 19.52288 -43.95275      108.8158 -55.29763      114.0669 70.82374       362.8159 42.91451 19.73736 77.39539 35.44931 -34.48088      40.57360 
1 1 1 6   13 47 o 50.81388 21.81317 26.50021       116.6860 16.73562       121.6425 139.0478       412.9778 50.60682 21.99802 81.85915 37.61464 -31.25232      43.57492 
1 1 1 6   13 48 o 118.8406 19.56716 473.5993       131.6354 507.4474       136.6045 33.57357       492.5349 123.0733 19.58097 80.09479 38.13456 42.97849       42.86793 
1 1 1 6   13 49 o 68.02269 24.71562 158.0823       127.4084 157.6444       131.7109 164.4595       502.5894 68.10806 25.06832 83.37751 39.34958 -15.26945      46.65629 
1 1 1 6   14 0  o 775.6523 12.01615 17667.68       546.6168 17258.67       855.2003 17950.20       710.7532 765.7897 19.04179 781.4554 15.50830 -15.66565      24.55803 
1 1 1 6   14 1  o 158.8888 18.23509 752.3990       166.8469 752.3990       166.8469 0.000000       0.000000 158.8888 18.23509 ?        ?        0.000000       18.23509 
1 1 1 6   14 2  o 259.7043 8.568975 1981.363       130.3357 1932.305       187.4911 2027.239       181.3094 256.1994 12.51608 262.4868 11.80798 -6.287384      17.20700 
1 1 1 6   14 3  o 95.39568 11.31036 270.9279       62.04856 -15.86595      141.6002 339.0836       69.02877 55.42166 23.91262 106.8874 11.17668 -51.46573      26.39567 
1 1 1 6   14 4  o 614.4025 9.967591 11080.20       359.1648 11681.51       608.9231 10759.39       444.7734 630.1095 16.49185 605.2725 12.52960 24.83704       20.71164 
1 1 1 6   14 5  o 360.0341 6.917877 3802.858       146.0720 3403.723       243.4569 4027.361       182.5885 340.2303 12.22094 370.4681 8.403731 -30.23785      14.83153 
1 1 1 6   14 6  f 394.5762 7.907588 4568.240       182.9892 4948.084       310.5144 4366.138       226.4978 410.2403 12.92215 385.5475 10.02546 24.69278       16.35518 
1 1 1 6   14 7  o 778.8834 12.17327 17815.79       556.0710 18879.51       953.8215 17268.11       684.4142 800.4894 20.33353 766.4996 15.22497 33.98981       25.40181 
1 1 1 6   14 8  o 518.1389 10.52994 7881.381       319.9799 8052.626       452.0264 7709.385       453.0152 523.2485 14.74479 511.9281 15.10527 11.32040       21.10872 
1 1 1 6   14 9  o 636.7017 12.12283 11905.78       452.6793 12394.94       655.4319 11459.63       625.9554 648.9157 17.23747 623.9507 17.12195 24.96503       24.29592 
1 1 1 6   14 10 o 567.8922 11.68585 9470.854       389.2036 9488.429       537.5709 9451.492       564.2305 567.8118 16.15931 566.5959 16.99902 1.215881       23.45400 
1 1 1 6   14 11 o 370.9640 11.40344 4045.012       247.8005 3980.189       324.0743 4136.268       384.5109 367.6490 15.06195 374.5245 17.55448 -6.875458      23.13055 
1 1 1 6   14 12 o 549.9987 11.85622 8884.969       382.4358 8915.141       517.4746 8848.656       567.6996 550.3248 16.05032 548.0419 17.68574 2.282898       23.88301 
1 1 1 6   14 13 o 563.1954 11.76844 9317.097       388.7126 9362.867       533.6085 9265.348       567.3907 563.9233 16.15101 560.8146 17.27151 3.108765       23.64657 
1 1 1 6   14 14 o 330.3331 10.99244 3208.425       212.6628 3249.605       272.4124 3144.167       340.2880 332.1716 14.01493 326.2839 17.85081 5.887665       22.69515 
1 1 1 6   14 15 o 415.0862 10.28539 5060.023       250.3857 5100.859       332.6302 5006.632       380.3448 416.2980 13.64249 412.1736 15.76333 4.124359       20.84707 
1 1 1 6   14 16 o 682.7297 12.67271 13703.75       507.4213 13731.72       704.7840 13673.65       731.1460 682.3808 17.62554 680.7795 18.32915 1.601257       25.42867 
1 1 1 6   14 17 o 375.2994 9.177895 4136.605       202.0094 4136.605       202.0094 0.000000       0.000000 375.2994 9.177895 ?        ?        0.000000       9.177895 
1 1 1 6   14 18 o 397.0939 9.899920 4633.185       230.5555 4699.881       300.9871 4538.486       358.6495 399.4610 12.86440 392.1219 15.62677 7.339111       20.24077 
1 1 1 6   14 19 o 434.4368 6.896052 5540.521       175.7024 5610.514       199.0643 5293.721       373.7978 437.1081 7.765223 423.5101 15.07355 13.59802       16.95614 
1 1 1 6   14 20 o 690.4426 9.282275 14010.69       375.8655 14031.46       439.0764 13953.75       727.1322 690.6698 10.83975 686.6416 18.07218 4.028198       21.07377 
1 1 1 6   14 21 o 259.4868 6.371696 1976.867       96.96632 1985.028       104.6920 1927.615       257.1922 259.9056 6.874304 254.6784 17.32239 5.227249       18.63656 
1 1 1 6   14 22 o 160.7405 7.023884 760.3522       66.05465 749.9195       69.02908 873.6435       227.4740 159.6009 7.394833 169.5184 23.51266 -9.917526      24.64809 
1 1 1 6   14 23 o 45.65409 14.77780 59.70108       45.15176 83.60391       46.34714 -385.8268      200.0947 52.42228 14.55788 45.37750 22.23374 7.044777       26.57576 
1 1 1 6   14 24 o 297.9602 6.340217 2607.610       110.7931 2683.578       123.8112 2302.276       248.2174 302.2168 6.985390 278.4865 15.25596 23.73029       16.77915 
1 1 1 6   14 25 o 328.0518 7.537774 3163.762       145.0227 3303.462       168.0665 2756.522       286.9502 334.9855 8.561713 304.4269 16.12968 30.55859       18.26115 
1 1 1 6   14 26 f 211.9689 7.106472 1322.132       88.21905 1345.777       93.68392 1137.019       262.1305 213.8180 7.482386 193.0814 23.64136 20.73666       24.79718 
1 1 1 6   14 27 o 157.1861 11.74871 733.3117       107.5231 717.1962       116.5847 825.0570       278.1704 155.2434 12.92201 161.8397 30.42384 -6.596268      33.05433 
1 1 1 6   14 28 o 46.02032 17.04054 49.23859       61.01854 43.03200       62.58100 168.8988       274.7836 45.11908 17.14078 90.58829 35.51130 -45.46921      39.43169 
1 1 1 6   14 29 o 265.5106 7.502232 2074.359       116.7044 2080.622       124.1283 2026.652       342.5986 265.8525 7.970215 258.7977 22.80529 7.054810       24.15793 
1 1 1 6   14 30 o 34.95594 16.14878 -62.00075      77.57891 -46.49251      79.83225 -325.1410      328.8446 37.14043 16.86320 67.81545 31.95130 -30.67502      36.12829 
1 1 1 6   14 31 o 47.34802 18.87860 35.02126       78.87769 48.27469       81.36431 -171.9218      321.5105 50.01681 19.40440 73.52010 33.55902 -23.50330      38.76518 
1 1 1 6   14 32 o 170.5254 9.928169 860.4529       98.86132 891.9418       103.2052 509.8322       344.3829 173.5879 10.18223 126.1274 40.81138 47.46049       42.06241 
1 1 1 6   14 33 o 97.29750 15.92886 289.2396       87.75198 302.2533       91.32702 132.7127       316.7332 99.44303 16.21780 90.77400 37.23209 8.669029       40.61090 
1 1 1 6   14 34 o 134.1889 12.17069 538.0267       94.74104 489.8477       98.16859 1192.053       361.6945 127.7528 13.29676 191.7537 33.37396 -64.00086      35.92527 
1 1 1 6   14 35 o 245.7824 8.474137 1783.719       121.9682 1833.667       129.3767 1384.681       365.6816 249.1224 8.869237 207.7193 30.96204 41.40312       32.20732 
1 1 1 6   14 36 o 198.5945 9.479352 1168.474       110.0882 1193.679       114.8761 884.8761       385.3375 200.6615 9.791019 159.1443 41.02502 41.51729       42.17720 
1 1 1 6   14 37 o 179.3140 17.78386 982.5683       184.5596 992.3401       210.9005 950.6151       381.3715 179.0744 20.44742 164.0323 40.00677 15.04211       44.92926 
1 1 1 6   14 38 o 37.44451 18.08748 -177.9837      120.1293 -96.84327      126.9327 -874.6157      371.9259 44.05149 20.45671 55.24688 27.62015 -11.19538      34.37077 
1 1 1 6   14 39 o 174.8944 16.78261 943.4556       170.0316 854.4395       190.0882 1299.762       380.3059 164.6343 20.10372 191.4101 35.17377 -26.77582      40.51362 
1 1 1 6   14 40 o 57.82655 20.94731 92.81364       91.42666 120.4591       94.10201 -372.7482      386.1674 62.97825 21.36762 67.98615 32.73757 -5.007900      39.09378 
1 1 1 6   14 41 o 144.4219 12.74685 635.0991       106.8588 635.3494       110.8357 631.7978       402.5256 144.2386 13.25023 122.3851 44.00319 21.85355       45.95486 
1 1 1 6   14 42 o 71.48683 21.67554 168.4671       98.75113 168.9588       101.7342 160.4489       410.8043 71.59917 22.05717 89.07758 39.50942 -17.47842      45.24945 
1 1 1 6   14 43 o 91.62200 20.55665 279.5739       107.7360 266.5711       112.7652 415.6704       364.8211 88.84369 21.80664 101.5296 40.56102 -12.68589      46.05134 
1 1 1 6   14 44 o 56.80399 22.56968 75.88892       112.3525 39.93448       116.0538 612.7426       448.4471 52.88804 22.18526 112.0719 44.90329 -59.18383      50.08484 
1 1 1 6   14 45 o 54.96320 22.40107 62.76555       113.7578 47.35128       118.1646 257.9384       420.4707 53.74706 22.45468 89.56117 39.83352 -35.81411      45.72660 
1 1 1 6   14 46 o 126.8430 16.82461 518.2231       122.0754 577.7472       128.5241 -30.67926      390.2887 134.0954 16.70370 74.57069 35.03238 59.52473       38.81084 
1 1 1 6   14 47 f 165.6008 13.84617 858.2420       133.2455 901.2619       141.6919 529.3380       391.7825 169.2887 14.40817 102.0817 41.58434 67.20697       44.00969 
1 1 1 6   14 48 o 184.5980 13.42482 1063.280       144.3469 1076.300       151.2119 929.5762       484.5641 185.2267 14.02397 121.9052 47.33755 63.32143       49.37120 
1 1 1 6   15 0  o 627.9091 16.47086 11600.31       606.0219 11600.31       606.0219 0.000000       0.000000 627.9091 16.47086 ?        ?        0.000000       16.47086 
1 1 1 6   15 1  o 444.3159 13.30505 5804.280       346.3134 5804.280       346.3134 0.000000       0.000000 444.3159 13.30505 ?        ?        0.000000       13.30505 
1 1 1 6   15 2  o 653.3077 13.04700 12536.78       499.8953 0.000000       0.000000 12536.78       499.8953 ?        ?        653.3077 13.04700 0.000000       13.04700 
1 1 1 6   15 3  o 486.0539 13.96740 6946.812       397.7406 6946.812       397.7406 0.000000       0.000000 486.0539 13.96740 ?        ?        0.000000       13.96740 
1 1 1 6   15 4  o 531.5943 8.835259 8293.155       275.4547 7316.437       399.9329 9174.657       379.9392 498.8517 13.68282 558.9763 11.58965 -60.12463      17.93152 
1 1 1 6   15 5  o 593.2318 9.639038 10329.46       335.3580 9391.370       492.0686 11143.10       458.2688 565.0936 14.86045 615.9413 12.68617 -50.84766      19.53898 
1 1 1 6   15 6  o 547.8886 9.169317 8810.094       294.6319 8191.081       446.5453 9287.338       392.0904 527.7567 14.44075 562.3671 11.88819 -34.61035      18.70466 
1 1 1 6   15 7  o 310.7310 8.218162 2835.309       149.6334 3178.188       261.2445 2667.901       182.5431 328.6179 13.58448 301.2839 10.34627 27.33395       17.07581 
1 1 1 6   15 8  o 207.2156 14.49232 1268.079       175.0106 1387.999       231.5655 1108.343       267.2589 216.3947 18.42134 192.3204 24.23174 24.07430       30.43884 
1 1 1 6   15 9  o 709.1254 13.31854 14774.60       553.8984 15583.41       819.4185 14094.08       751.6261 727.2562 19.22866 691.7225 18.54434 35.53363       26.71393 
1 1 1 6   15 10 o 615.1973 12.45247 11117.83       449.2834 11473.12       638.8937 10770.24       631.9290 624.1726 17.47032 604.6805 17.83885 19.49213       24.96871 
1 1 1 6   15 11 o 573.7044 11.97781 9668.146       403.0104 9507.060       534.7302 9879.962       613.1747 568.2912 16.06013 579.0413 18.07826 -10.75006      24.18163 
1 1 1 6   15 12 o 249.4589 13.41170 1834.209       195.4941 1846.886       244.5472 1811.763       325.3992 249.9621 16.77880 246.7349 22.74296 3.227173       28.26253 
1 1 1 6   15 13 o 532.7959 11.13612 8338.023       347.9729 8087.766       453.1367 8697.707       543.2449 524.2056 14.75398 543.2939 17.07063 -19.08832      22.56294 
1 1 1 6   15 14 o 64.90130 25.85737 63.81084       147.8600 105.7812       177.7459 -30.48326      266.4222 74.24397 28.71386 75.58677 32.70723 -1.342796      43.52297 
1 1 1 6   15 15 o 169.8658 15.49484 856.4086       152.6655 955.6775       186.0489 651.7971       267.1071 179.1758 17.94635 145.1008 32.22675 34.07506       36.88678 
1 1 1 6   15 16 o 351.2444 16.87045 3644.918       346.5093 0.000000       0.000000 3644.918       346.5093 ?        ?        351.2444 16.87045 0.000000       16.87045 
1 1 1 6   15 17 o 451.3390 7.789032 5980.898       206.1754 5908.696       240.0319 6184.062       402.6395 448.5025 9.125436 457.9261 15.01267 -9.423615      17.56854 
1 1 1 6   15 18 o 256.7968 6.490571 1936.848       97.67304 1898.626       104.1170 2217.271       282.0138 254.2159 6.990059 273.4412 17.68032 -19.22537      19.01196 
1 1 1 6   15 19 o 514.2184 7.587483 7765.414       228.8210 7940.911       268.3851 7298.296       437.8605 519.8624 8.802771 497.2051 15.03311 22.65729       17.42076 
1 1 1 6   15 20 f 176.3748 7.028012 914.9724       72.55197 951.0546       77.00993 630.1099       216.3802 179.8018 7.318306 142.8985 26.80335 36.90340       27.78448 
1 1 1 6   15 21 f 219.1991 6.629672 1412.287       85.12986 1443.555       91.25570 1202.564       236.3348 221.5823 7.031118 200.1421 20.42020 21.44028       21.59678 
1 1 1 6   15 22 o 455.6042 7.042033 6097.856       188.1639 6227.730       217.3428 5709.232       375.9658 460.3035 8.051010 439.3071 14.61283 20.99643       16.68394 
1 1 1 6   15 23 o 159.7506 7.358364 751.5354       68.75529 743.7684       71.86578 835.4786       236.2594 158.8856 7.735602 164.9876 25.21600 -6.101974      26.37586 
1 1 1 6   15 24 o 240.8774 6.464809 1705.741       91.24509 1711.324       98.52045 1672.073       241.9357 241.2220 6.971318 236.5828 17.56202 4.639160       18.89508 
1 1 1 6   15 25 o 289.1054 7.816410 2459.649       132.4084 2565.523       149.1561 2066.018       287.6006 295.1538 8.625978 262.6585 18.79435 32.49524       20.67934 
1 1 1 6   15 26 o 118.8681 14.56014 424.5938       99.38660 467.2653       107.8111 183.1234       256.4641 124.6834 15.04757 90.04335 34.57825 34.64007       37.71054 
1 1 1 6   15 27 o 336.8439 7.764476 3336.859       153.3880 3339.507       174.2995 3327.769       322.9719 336.7195 8.833903 334.2884 16.52499 2.431122       18.73801 
1 1 1 6   15 28 o 29.71225 14.88144 -309.8234      110.2574 -287.2311      119.0727 -445.6796      291.9922 32.60125 16.18930 58.06933 28.08652 -25.46808      32.41830 
1 1 1 6   15 29 o 294.1808 7.463117 2546.135       128.6573 2543.917       138.3869 2560.265       349.2927 293.9757 8.034159 291.8763 20.53624 2.099396       22.05187 
1 1 1 6   15 30 o 95.68842 15.33335 278.2298       83.14439 275.0661       86.07124 322.3885       321.5663 94.98878 16.01951 108.0263 39.26307 -13.03753      42.40534 
1 1 1 6   15 31 o 148.4612 10.84170 653.9517       93.74687 652.3995       97.35431 673.7395       347.6009 148.2120 11.28492 142.9695 39.92975 5.242462       41.49379 
1 1 1 6   15 32 o 193.3292 9.062329 1103.982       102.4655 1103.784       107.9630 1105.780       325.2491 193.2339 9.556318 186.7514 30.76673 6.482498       32.21669 
1 1 1 6   15 33 o 241.5416 8.204670 1720.928       116.0574 1716.535       122.4237 1759.899       364.6416 241.1502 8.670313 237.8459 26.59562 3.304260       27.97322 
1 1 1 6   15 34 o 48.57553 19.67695 32.56936       87.14555 48.30987       89.88718 -213.7215      355.5596 51.47821 20.27100 74.76243 34.55027 -23.28422      40.05789 
1 1 1 6   15 35 f 205.5303 9.197681 1249.981       110.5868 1270.796       115.5108 1021.334       382.8396 207.1691 9.532633 173.3393 38.64534 33.82979       39.80368 
1 1 1 6   15 36 o 240.8930 9.017624 1717.381       127.1743 1679.009       133.6355 2085.656       414.0032 238.0394 9.592080 255.9565 28.03781 -17.91708      29.63320 
1 1 1 6   15 37 o 39.12184 18.79647 -172.1753      125.6645 -157.7338      133.1132 -290.4875      381.0047 41.59786 19.81095 72.81507 34.33300 -31.21721      39.63873 
1 1 1 6   15 38 o 129.7593 13.23467 510.7274       99.30830 540.4963       102.8022 94.97323       384.1839 133.4982 13.30743 89.31898 38.95594 44.17923       41.16617 
1 1 1 6   15 39 o 89.44550 23.50893 265.0210       124.9168 341.7492       131.8701 -405.5264      389.8375 102.0272 22.63108 67.76991 32.69832 34.25724       39.76614 
1 1 1 6   15 40 o 67.79956 27.09220 105.9715       162.7995 109.6451       178.4475 87.73769       397.5573 69.85886 28.20799 86.97345 38.70473 -17.11459      47.89308 
1 1 1 6   15 41 o 71.68519 21.86278 168.2427       100.2670 168.9725       103.5158 157.1599       403.3852 71.86214 22.26869 89.56080 39.46296 -17.69866      45.31247 
1 1 1 6   15 42 o 95.54026 19.92365 300.4834       108.0162 305.3145       112.3163 240.9901       394.1439 96.00571 20.56701 91.71210 39.73321 4.293602       44.74070 
1 1 1 6   15 43 o 53.57981 21.45072 61.39238       102.2556 100.4800       105.5758 -530.9166      410.9779 59.68445 22.35319 63.37664 31.21379 -3.692188      38.39226 
1 1 1 6   15 44 f 123.3351 16.49706 485.1006       116.3385 493.5899       120.9675 380.5021       424.6139 124.0807 17.07550 97.02760 41.63051 27.05305       44.99636 
1 1 1 6   15 45 o 149.0516 14.31357 695.4236       123.5862 700.9293       131.2841 652.5619       366.3007 149.0325 15.23446 115.5258 41.91729 33.50670       44.59986 
1 1 1 6   15 46 o 58.24693 22.73371 91.80544       112.2092 87.15478       116.6243 149.7630       411.7054 58.09816 23.02337 82.63181 37.81563 -24.53366      44.27298 
1 1 1 6   15 47 o 132.2522 17.05735 567.8868       129.2237 610.6613       135.7115 152.3246       423.0018 137.0357 17.26887 81.86629 37.78039 55.16943       41.54000 
1 1 1 6   15 48 o 39.13090 18.84356 -150.3091      127.9707 -116.5126      132.9817 -573.5660      470.6073 42.02158 19.95219 63.75958 31.74838 -21.73800      37.49733 
1 1 1 6   16 0  o 582.4236 9.546217 9956.505       326.0775 9078.643       489.7335 10655.62       437.0386 555.5657 15.04436 602.3322 12.37181 -46.76648      19.47805 
1 1 1 6   16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   16 2  o 433.3712 13.93925 5524.105       353.8217 5524.105       353.8217 0.000000       0.000000 433.3712 13.93925 ?        ?        0.000000       13.93925 
1 1 1 6   16 3  o 485.7101 8.416903 6923.036       239.7618 6264.393       373.2415 7385.770       312.8462 461.5341 13.80461 501.5691 10.63530 -40.03497      17.42632 
1 1 1 6   16 4  o 215.5798 8.852033 1366.237       111.6804 1739.216       235.2507 1257.724       126.8905 242.6186 16.63381 206.7150 10.50103 35.90364       19.67118 
1 1 1 6   16 5  f 494.8365 9.117032 7186.729       264.5853 6899.075       411.6033 7389.292       345.4024 484.2860 14.50830 501.6146 11.74099 -17.32855      18.66391 
1 1 1 6   16 6  o 451.4868 8.253253 5981.821       218.5349 5197.833       349.8419 6483.501       279.8533 420.3165 14.21249 469.9485 10.15382 -49.63196      17.46696 
1 1 1 6   16 7  o 239.3531 9.582964 1684.365       134.2489 1332.516       242.8090 1839.282       161.1152 211.8002 19.77595 250.0354 11.01416 -38.23526      22.63625 
1 1 1 6   16 8  o 705.6072 13.32938 14629.60       551.5991 15061.00       788.3450 14215.83       772.0676 714.9680 18.81728 694.5764 18.97106 20.39160       26.72062 
1 1 1 6   16 9  o 679.0277 13.12738 13548.37       522.7764 14367.02       768.7681 12844.17       713.0112 698.2418 18.79031 660.2341 18.43203 38.00769       26.32139 
1 1 1 6   16 10 o 163.9881 21.01397 805.6454       197.4636 591.5226       246.5149 1189.021       329.8555 138.5165 31.10803 198.2587 29.24599 -59.74214      42.69705 
1 1 1 6   16 11 o 727.6876 13.38947 15564.21       571.4245 15243.54       772.2319 15952.29       849.5181 719.1886 18.32349 735.4406 19.71362 -16.25201      26.91426 
1 1 1 6   16 12 o 139.9483 19.87185 588.7925       158.5211 524.6234       185.3721 763.4209       305.8012 131.0542 25.03061 157.1463 34.15765 -26.09216      42.34709 
1 1 1 6   16 13 o 493.2291 10.72761 7146.184       310.3145 7230.793       414.5985 7038.410       467.9270 495.6042 14.27892 488.6636 16.35044 6.940521       21.70770 
1 1 1 6   16 14 o 383.0623 10.37084 4313.824       232.7737 4327.044       302.0480 4294.490       365.2745 383.3176 13.45677 381.4821 16.36462 1.835449       21.18691 
1 1 1 6   16 15 o 90.13737 35.21279 151.9037       269.4095 0.000000       0.000000 151.9037       269.4095 ?        ?        90.13737 35.21279 0.000000       35.21279 
1 1 1 6   16 16 o 90.99558 24.45499 254.1942       133.2924 195.3868       159.9932 387.6161       240.9900 83.31541 27.86034 112.9094 33.77843 -29.59401      43.78563 
1 1 1 6   16 17 o 120.2113 11.59629 428.9796       80.74152 438.5049       85.29415 346.8294       250.4867 121.4815 12.13395 108.3189 34.78421 13.16261       36.83984 
1 1 1 6   16 18 o 344.7709 7.178390 3490.303       145.1470 3504.736       165.2330 3441.529       303.7469 345.4158 8.156504 341.2244 15.21651 4.191437       17.26472 
1 1 1 6   16 19 o 475.9513 7.223336 6652.834       201.6280 6886.383       238.1340 6061.411       378.9497 484.1052 8.387472 453.0818 14.27897 31.02341       16.56016 
1 1 1 6   16 20 o 180.9361 7.481053 963.3885       79.21375 1005.962       84.10362 628.8743       235.7493 184.8720 7.774341 142.0203 29.27756 42.85172       30.29217 
1 1 1 6   16 21 o 314.7159 6.413077 2908.704       118.3684 2954.829       130.2812 2690.527       283.3457 317.1564 7.004188 301.0881 16.10480 16.06827       17.56199 
1 1 1 6   16 22 o 139.3202 8.298456 572.7178       67.49779 604.6181       70.53682 226.2601       232.4577 143.1462 8.439502 92.64236 33.42272 50.50387       34.47178 
1 1 1 6   16 23 o 289.5236 6.384398 2462.323       108.4063 2520.826       118.2637 2154.621       271.2229 292.9013 6.884617 268.8173 17.29534 24.08401       18.61523 
1 1 1 6   16 24 o 402.9803 6.857460 4772.272       162.0681 4808.815       181.5266 4628.708       359.7990 404.4132 7.653578 394.8125 15.56937 9.600708       17.34884 
1 1 1 6   16 25 o 520.6569 7.745463 7972.110       236.5100 7939.764       267.8210 8086.689       504.0667 519.3843 8.792356 521.4902 16.50207 -2.105835      18.69823 
1 1 1 6   16 26 f 272.9076 8.152702 2192.968       130.3408 2228.877       144.4439 2035.552       302.4314 275.0173 8.967464 260.2462 19.96743 14.77112       21.88866 
1 1 1 6   16 27 o 346.1865 7.073093 3522.743       143.6051 3611.334       157.9110 3099.191       345.2790 350.4370 7.683373 322.0092 18.35924 28.42776       19.90216 
1 1 1 6   16 28 o 125.8332 11.67631 471.2530       85.18615 505.4734       88.13890 -13.96266      331.8888 130.3629 11.65092 83.77453 36.37645 46.58840       38.19673 
1 1 1 6   16 29 o 177.7048 9.570959 932.8509       99.38017 931.3067       103.9220 949.3676       339.8778 177.4943 10.02400 172.1753 34.85626 5.319031       36.26899 
1 1 1 6   16 30 o 383.0672 7.550572 4316.141       169.6310 4396.258       188.1614 3968.429       391.9930 386.4832 8.301363 364.1394 18.41502 22.34381       20.19964 
1 1 1 6   16 31 o 346.1730 7.468685 3525.654       151.6310 3623.368       167.7202 3088.402       354.7899 350.8269 8.151583 320.6142 18.95308 30.21271       20.63171 
1 1 1 6   16 32 o 114.5518 14.09351 395.5749       92.68933 422.9924       96.32069 52.38512       340.7789 118.5000 14.13816 87.69025 37.45186 30.80974       40.03160 
1 1 1 6   16 33 o 193.0964 9.622682 1103.605       108.6301 1125.519       114.2154 895.8450       351.6810 194.9323 10.02424 163.6649 37.45155 31.26736       38.76988 
1 1 1 6   16 34 o 61.44477 21.03531 106.6082       91.23065 132.1060       94.04646 -300.1708      375.6389 66.45271 21.31125 73.44040 34.45932 -6.987694      40.51684 
1 1 1 6   16 35 o 397.7823 8.010544 4666.905       186.8779 4645.203       201.8693 4796.958       494.1668 396.6575 8.677691 395.8497 21.36510 0.8077393      23.06014 
1 1 1 6   16 36 o 40.20922 19.21126 -160.9854      127.2903 -93.65516      136.6208 -604.0198      350.4537 46.61972 21.49894 59.62112 29.25614 -13.00140      36.30601 
1 1 1 6   16 37 o 114.2342 14.93689 399.6658       97.67588 432.5994       101.8820 25.32654       343.4872 118.9155 14.93734 82.69650 36.42777 36.21904       39.37139 
1 1 1 6   16 38 f 58.46904 20.74421 96.49656       89.15789 86.28400       92.38136 235.2231       340.4841 57.09909 20.99826 94.23517 38.62180 -37.13607      43.96100 
1 1 1 6   16 39 o 255.6582 8.471725 1942.645       126.8475 1984.993       134.9285 1620.534       372.1240 258.2447 8.922259 217.6119 29.95140 40.63278       31.25209 
1 1 1 6   16 40 o 64.65734 21.43483 130.5632       94.74590 106.2809       98.02548 475.3488       369.3761 60.63826 21.72547 110.3438 41.70637 -49.70550      47.02571 
1 1 1 6   16 41 o 248.1561 9.201557 1840.862       133.6854 1863.298       140.5436 1627.658       433.2440 249.4427 9.625106 206.2235 37.18943 43.21921       38.41479 
1 1 1 6   16 42 o 103.9182 17.88097 348.0027       105.0470 349.4604       108.7399 327.6288       406.5309 103.8040 18.54226 96.42981 41.03616 7.374153       45.03090 
1 1 1 6   16 43 o 166.6910 12.29115 850.2784       119.3136 866.6774       124.3103 658.5027       425.1037 168.0601 12.70637 116.3205 44.55635 51.73961       46.33271 
1 1 1 6   16 44 o 127.9874 16.67750 524.0467       122.2093 525.8801       128.0541 505.3265       409.1806 127.6505 17.57052 103.7547 42.40982 23.89575       45.90552 
1 1 1 6   16 45 o 80.95939 23.12343 230.5156       115.2392 247.3548       120.1439 36.81471       407.4808 83.63112 23.51763 78.20365 36.42986 5.427467       43.36143 
1 1 1 6   16 46 o 58.09354 23.06873 87.74654       117.3111 132.0584       123.3242 -333.6960      380.3275 64.65727 24.17066 63.46447 31.00159 1.192806       39.31055 
1 1 1 6   16 47 o 163.1422 14.48962 839.7225       137.1947 770.6650       142.4352 1726.743       510.4802 155.1687 15.87525 180.6513 47.54464 -25.48260      50.12501 
1 1 1 6   17 0  o 339.5322 15.59224 3396.628       309.6556 3396.628       309.6556 0.000000       0.000000 339.5322 15.59224 ?        ?        0.000000       15.59224 
1 1 1 6   17 1  f 566.2078 16.07715 9435.242       533.3293 9435.242       533.3293 0.000000       0.000000 566.2078 16.07715 ?        ?        0.000000       16.07715 
1 1 1 6   17 2  o 1017.590 19.33048 30490.04       1153.629 0.000000       0.000000 30490.04       1153.629 ?        ?        1017.590 19.33048 0.000000       19.33048 
1 1 1 6   17 3  o 655.6380 10.54393 12620.80       405.4314 11511.03       609.8110 13499.95       542.7614 625.3529 16.64201 677.8051 13.65380 -52.45215      21.52633 
1 1 1 6   17 4  o 473.8578 10.38197 6592.423       288.5217 0.000000       0.000000 6592.423       288.5217 ?        ?        473.8578 10.38197 0.000000       10.38197 
1 1 1 6   17 5  o 803.8358 12.57213 18982.12       592.6886 17258.90       845.1265 20649.88       831.4182 765.6188 18.82169 837.7878 16.92135 -72.16901      25.30984 
1 1 1 6   17 6  o 642.8586 10.88399 12135.50       410.3496 12610.43       682.1804 11866.22       513.6735 654.3154 17.79364 635.4188 13.78404 18.89661       22.50808 
1 1 1 6   17 7  o 769.4458 12.21089 17392.48       551.0309 17615.28       894.9840 17256.47       699.2867 772.9808 19.75842 765.9991 15.56598 6.981750       25.15343 
1 1 1 6   17 8  o 476.5197 9.424143 6666.019       263.3742 6663.196       418.9737 6667.863       338.6515 475.7741 15.03422 476.2575 12.13429 -0.4833679     19.32017 
1 1 1 6   17 9  o 272.1711 13.02307 2181.985       207.2736 2280.175       264.6892 2026.311       333.2817 277.8959 16.31239 261.1449 21.96441 16.75101       27.35926 
1 1 1 6   17 10 o 1099.110 18.93892 35598.05       1220.807 34773.47       1660.473 36568.16       1801.046 1083.924 26.12056 1110.928 27.64321 -27.00378      38.03197 
1 1 1 6   17 11 o 268.8161 12.05455 2127.752       189.5616 2109.610       227.4352 2169.031       343.0628 267.4126 14.55681 270.1662 21.83767 -2.753601      26.24470 
1 1 1 6   17 12 o 529.4726 11.16043 8237.097       346.5572 7803.385       444.2991 8910.961       553.8104 514.7556 14.73231 549.6866 17.20007 -34.93103      22.64693 
1 1 1 6   17 13 o 584.8493 11.55091 10053.86       396.1965 9715.207       520.4744 10520.48       610.9508 574.1728 15.47042 597.1127 17.46491 -22.93988      23.33146 
1 1 1 6   17 14 o 547.7661 16.93514 8855.924       543.3911 0.000000       0.000000 8855.924       543.3911 ?        ?        547.7661 16.93514 0.000000       16.93514 
1 1 1 6   17 15 o 366.1881 9.745558 3942.913       209.1102 3936.909       267.6543 3952.318       335.0085 365.5869 12.50180 365.8384 15.65023 -0.2514954     20.03059 
1 1 1 6   17 16 o 135.8657 17.84749 554.5037       138.7769 617.8466       167.0349 413.3354       249.3599 143.0409 20.49610 116.1004 34.26822 26.94044       39.92995 
1 1 1 6   17 17 o 372.8326 9.621571 4088.800       210.2071 4120.374       270.4167 4040.587       334.1531 373.8968 12.34888 369.7241 15.44453 4.172638       19.77443 
1 1 1 6   17 18 o 263.6751 7.969523 2044.393       123.0986 2054.583       138.5465 2006.188       268.2615 264.2363 8.953241 259.7790 17.71372 4.457336       19.84783 
1 1 1 6   17 19 o 413.8207 6.728261 5029.082       163.2923 5173.620       188.4499 4593.551       327.1253 419.6335 7.657294 394.2447 14.17114 25.38882       16.10762 
1 1 1 6   17 20 o 269.2280 7.787817 2131.894       122.8372 2209.737       138.7077 1848.925       264.4614 274.0091 8.642282 248.9773 18.23792 25.03172       20.18194 
1 1 1 6   17 21 o 99.05193 11.62922 293.1277       66.27081 303.8287       68.96346 164.0646       239.5016 100.8262 11.89105 86.93327 33.40718 13.89297       35.46035 
1 1 1 6   17 22 o 211.8841 6.878059 1320.508       85.35696 1345.363       90.46011 1118.673       257.7780 213.8377 7.223477 191.7893 23.40172 22.04836       24.49121 
1 1 1 6   17 23 o 206.3360 7.097874 1252.786       85.76432 1273.621       90.51451 1069.761       268.2683 208.0123 7.431509 186.8084 25.12252 21.20395       26.19863 
1 1 1 6   17 24 o 48.77653 20.13991 21.88584       93.48839 92.25087       99.80494 -481.8185      267.0309 60.50486 21.89043 53.08787 25.94224 7.416996       33.94393 
1 1 1 6   17 25 o 228.0436 7.136104 1530.207       95.32233 1573.223       101.5607 1211.975       276.2357 231.1886 7.500395 199.1762 24.13995 32.01236       25.27832 
1 1 1 6   17 26 o 276.3695 8.595571 2249.884       139.1512 2321.125       153.8821 1930.324       325.9133 280.5979 9.364012 252.6753 22.21928 27.92265       24.11185 
1 1 1 6   17 27 o ?        ?        -488.3525      120.0225 -432.9352      129.0901 -841.7676      325.9963 30.01017 15.16698 52.05889 26.00076 -22.04871      30.10111 
1 1 1 6   17 28 o 310.4879 7.703816 2835.075       140.2818 2904.145       151.0857 2403.290       377.7573 314.0799 8.209282 281.7851 23.05983 32.29480       24.47750 
1 1 1 6   17 29 o 217.4176 8.640292 1393.693       109.9532 1429.285       116.3855 1098.130       335.3845 220.1254 9.034459 186.4728 31.80758 33.65262       33.06575 
1 1 1 6   17 30 f 192.3569 9.018416 1092.445       101.4560 1083.889       106.3489 1179.064       338.3777 191.5294 9.497374 193.2851 30.89005 -1.755692      32.31711 
1 1 1 6   17 31 o 314.7644 7.696793 2916.395       142.0842 2987.127       155.4541 2557.438       350.1974 318.3469 8.333447 290.6692 20.67801 27.67767       22.29409 
1 1 1 6   17 32 o 112.6207 14.12480 382.8938       91.24683 367.6227       94.59973 586.9405       345.7963 110.1063 15.04256 132.4117 40.64274 -22.30534      43.33718 
1 1 1 6   17 33 o 36.68521 17.06274 -76.94794      88.84669 -57.71842      91.80278 -361.1959      352.9558 39.18406 17.90368 68.45625 32.50409 -29.27218      37.10873 
1 1 1 6   17 34 o 110.9746 16.46182 376.8884       103.8972 382.9726       107.5535 291.9376       401.8894 111.7516 16.94094 107.5569 42.70200 4.194725       45.93970 
1 1 1 6   17 35 o 144.4474 12.64751 625.9589       106.0635 655.6807       110.8681 305.1606       364.2380 147.7898 12.92102 105.1396 40.98099 42.65019       42.96969 
1 1 1 6   17 36 o 53.11473 20.72187 57.86525       93.19611 46.07299       96.13502 241.9355       379.8175 51.92153 20.79476 99.88106 40.84706 -47.95953      45.83562 
1 1 1 6   17 37 o 114.0995 15.30590 400.6796       99.84094 376.5301       103.6939 707.6471       369.6964 110.1127 16.57011 136.2588 42.05986 -26.14615      45.20620 
1 1 1 6   17 38 o 43.82839 20.24496 -80.18417      121.8682 -29.95079      129.1040 -491.0126      369.2104 49.41851 22.02022 63.07279 30.75218 -13.65428      37.82310 
1 1 1 6   17 39 o 141.0698 12.50266 604.5588       102.3696 625.8515       106.0704 315.2936       390.9553 143.4561 12.73973 99.69880 41.17746 43.75726       43.10317 
1 1 1 6   17 40 o 98.82478 18.88981 315.1620       105.4927 308.4447       108.9752 415.2501       420.6514 97.34955 19.76303 105.2850 43.01356 -7.935432      47.33649 
1 1 1 6   17 41 o 71.77962 22.21190 170.9007       103.0301 175.7275       106.5218 100.8721       405.7358 72.68086 22.60070 85.13006 38.39559 -12.44920      44.55348 
1 1 1 6   17 42 o 84.71259 21.42955 242.3438       106.5263 207.9099       110.7589 667.2128       389.0569 78.14282 22.77720 120.0420 43.24802 -41.89916      48.87936 
1 1 1 6   17 43 o 168.4291 11.78578 866.4988       115.6848 936.7438       121.4569 179.7018       379.7771 175.0845 11.89905 85.14579 37.86407 89.93871       39.68974 
1 1 1 6   17 44 o 64.45730 23.77258 129.4196       118.5474 167.8484       123.5961 -312.3352      419.0512 70.51889 24.46951 68.01683 33.07239 2.502060       41.14049 
1 1 1 6   17 45 o 70.27499 24.26396 168.6866       121.4646 154.5099       127.4997 307.8911       399.5290 68.32522 24.73883 89.93984 39.46389 -21.61462      46.57691 
1 1 1 6   17 46 o 38.10214 18.39604 -155.8899      123.8862 -163.4701      129.3003 -71.01908      432.6517 38.78355 18.74187 74.28709 35.47256 -35.50354      40.11932 
1 1 1 6   17 47 o 51.20458 22.35365 17.65719       126.7564 21.13400       131.0742 -32.52227      497.9543 52.18881 22.75818 77.96667 37.44861 -25.77786      43.82161 
1 1 1 6   18 0  o 336.9040 16.43311 3346.959       323.7162 3346.959       323.7162 0.000000       0.000000 336.9040 16.43311 ?        ?        0.000000       16.43311 
1 1 1 6   18 1  o 722.7299 14.27984 15354.33       605.2711 0.000000       0.000000 15354.33       605.2711 ?        ?        722.7299 14.27984 0.000000       14.27984 
1 1 1 6   18 2  o 450.2580 15.66222 5969.591       412.9557 5969.591       412.9557 0.000000       0.000000 450.2580 15.66222 ?        ?        0.000000       15.66222 
1 1 1 6   18 3  o 815.5654 12.67785 19542.84       606.3940 17778.98       870.7687 21203.68       844.9550 776.9249 19.11055 848.8569 16.97261 -71.93201      25.55940 
1 1 1 6   18 4  o 546.4966 11.41255 8771.934       365.7806 0.000000       0.000000 8771.934       365.7806 ?        ?        546.4966 11.41255 0.000000       11.41255 
1 1 1 6   18 5  o 732.0445 11.59474 15741.04       497.7932 14319.66       717.2341 17062.05       691.4456 697.2290 17.55418 761.6371 15.47959 -64.40814      23.40442 
1 1 1 6   18 6  o 130.8970 9.249426 505.4951       70.54873 151.7681       202.5056 554.3564       75.26373 82.59824 30.95340 137.0932 9.418159 -54.49493      32.35452 
1 1 1 6   18 7  o 357.2645 8.653033 3746.581       181.3046 3951.552       300.7927 3629.617       227.2199 366.3427 14.02594 351.3607 11.04033 14.98206       17.84982 
1 1 1 6   18 8  o 554.2547 11.55520 9024.908       375.6102 9425.510       528.8246 8617.050       533.5936 565.7263 15.95470 540.7648 16.84542 24.96155       23.20174 
1 1 1 6   18 9  o 274.2123 12.32003 2214.290       197.6235 2123.355       244.0042 2387.676       336.9297 268.1651 15.58186 283.7645 20.38136 -15.59943      25.65529 
1 1 1 6   18 10 o 214.0258 13.70510 1352.711       171.1239 1305.764       205.9776 1457.307       307.4520 209.8771 16.87634 220.6288 24.15536 -10.75172      29.46679 
1 1 1 6   18 11 o 357.5286 11.12299 3759.981       232.9455 3736.157       292.9080 3800.981       384.2495 356.0648 14.05418 358.5299 18.33505 -2.465057      23.10182 
1 1 1 6   18 12 o 243.8583 12.81727 1753.961       182.6653 1868.789       227.4597 1545.407       306.5421 251.4086 15.50213 227.2519 23.33122 24.15669       28.01181 
1 1 1 6   18 13 o 298.4322 19.32796 2642.311       336.4652 0.000000       0.000000 2642.311       336.4652 ?        ?        298.4322 19.32796 0.000000       19.32796 
1 1 1 6   18 14 o 372.0715 9.888698 4071.222       215.5911 4020.840       272.9620 4154.768       351.5048 369.4262 12.61717 375.0029 16.01946 -5.576660      20.39157 
1 1 1 6   18 15 o 247.5312 11.32323 1806.107       163.9453 1927.121       203.4227 1581.830       276.9323 255.4163 13.62937 230.1432 20.73980 25.27306       24.81731 
1 1 1 6   18 16 o 480.1970 10.23197 6781.016       288.1571 6744.437       381.9810 6829.322       438.9673 478.1824 13.63457 480.7556 15.58949 -2.573181      20.71071 
1 1 1 6   18 17 o 492.5371 10.34905 7136.675       298.9440 7521.060       424.3196 6757.854       421.2385 504.6798 14.35053 478.2024 15.03855 26.47748       20.78691 
1 1 1 6   18 18 o 57.42728 23.68809 30.90175       129.1574 41.70013       153.5289 4.755385       238.9001 63.02174 25.89343 73.33793 31.34088 -10.31619      40.65367 
1 1 1 6   18 19 o 336.6796 9.571215 3337.623       188.7963 3368.969       239.8475 3286.564       306.1099 337.8412 12.12486 332.9355 15.72155 4.905701       19.85395 
1 1 1 6   18 20 o 143.6254 11.07784 611.3563       92.59125 668.1096       100.3311 285.5100       240.4068 150.1251 11.48260 99.79421 34.14742 50.33091       36.02633 
1 1 1 6   18 21 o 294.6187 6.545627 2549.930       113.0999 2543.191       122.8956 2587.220       289.0864 294.1801 7.123159 294.8197 16.78880 -0.6396484     18.23741 
1 1 1 6   18 22 o 152.1419 8.957164 683.5745       79.56905 715.8317       83.45415 361.1218       263.8560 155.6751 9.181442 109.1311 35.75160 46.54398       36.91173 
1 1 1 6   18 23 o 263.8094 6.853634 2046.728       105.9482 2056.922       112.9719 1972.313       305.2383 264.4155 7.292019 256.0315 20.49915 8.384003       21.75750 
1 1 1 6   18 24 o 129.1534 10.59583 495.0530       79.55350 487.9160       82.50354 589.5328       300.1816 128.1398 11.08735 135.0915 36.86737 -6.951721      38.49847 
1 1 1 6   18 25 o 203.0345 9.848028 1217.303       116.9156 1277.668       127.1524 887.0449       297.4118 207.9277 10.46066 167.5880 31.41360 40.33980       33.10950 
1 1 1 6   18 26 o 209.2129 8.578075 1290.162       105.0284 1329.883       110.0874 887.5411       350.4904 212.3784 8.857909 165.7288 36.99779 46.64955       38.04338 
1 1 1 6   18 27 o 414.8963 9.202222 5068.446       223.9148 5106.378       257.8369 4952.066       451.6220 416.0419 10.57571 406.9976 18.97272 9.044281       21.72118 
1 1 1 6   18 28 o 286.1667 9.599691 2415.319       160.8835 2482.869       178.8145 2128.270       368.6093 289.9757 10.53204 264.5515 24.01930 25.42416       26.22691 
1 1 1 6   18 29 o 369.6366 7.532775 4019.301       163.2979 4083.938       180.0354 3719.360       387.8242 372.4806 8.241451 352.1784 18.84543 20.30212       20.56871 
1 1 1 6   18 30 o 217.3367 8.614181 1393.624       109.5813 1323.384       114.4752 2162.825       378.8276 211.6814 9.243288 265.6540 24.59420 -53.97258      26.27381 
1 1 1 6   18 31 o 82.79339 18.84352 213.8691       89.43409 165.0404       92.48559 917.4090       351.0594 72.94128 20.67626 166.3436 36.94644 -93.40234      42.33848 
1 1 1 6   18 32 o 170.1125 10.33899 858.6035       102.6619 871.6577       107.4000 720.3704       349.4902 171.3264 10.74289 145.5206 39.80749 25.80588       41.23161 
1 1 1 6   18 33 o 104.0592 16.17018 331.5015       95.48101 359.8822       98.66147 -87.53027      379.1049 108.5630 15.97286 83.07896 37.32263 25.48408       40.59694 
1 1 1 6   18 34 o 228.4055 9.308978 1544.645       124.4366 1570.257       132.0592 1341.806       371.6407 230.1739 9.805243 202.4503 32.39226 27.72360       33.84378 
1 1 1 6   18 35 o 182.5196 10.25784 990.9433       109.3616 1028.851       113.9380 547.2873       389.7878 185.9282 10.49152 124.9733 43.44960 60.95494       44.69832 
1 1 1 6   18 36 o 65.18301 24.79730 105.2928       131.0872 105.6527       140.1044 102.7640       371.3958 66.32269 25.53452 89.35678 38.64124 -23.03409      46.31584 
1 1 1 6   18 37 o 132.0758 13.15036 530.0855       100.5098 556.1725       104.3852 198.2045       372.3215 135.2503 13.33304 93.45871 39.49986 41.79158       41.68943 
1 1 1 6   18 38 o 190.7014 10.22768 1088.979       113.9699 1096.179       118.8746 1007.088       400.9039 191.1686 10.64487 158.8571 42.28653 32.31142       43.60577 
1 1 1 6   18 39 o 48.99485 20.36324 29.93645       96.44579 42.27449       99.32169 -173.9073      403.7101 51.14941 20.89937 75.63741 35.56365 -24.48800      41.24993 
1 1 1 6   18 40 o 227.1680 9.611860 1545.863       127.7682 1494.810       133.7795 2075.944       431.0743 223.0547 10.25394 241.2889 31.19147 -18.23422      32.83369 
1 1 1 6   18 41 o 151.1743 12.49883 699.1824       109.8254 653.5972       113.6623 1340.383       426.2863 145.6535 13.45805 178.5025 41.50773 -32.84897      43.63497 
1 1 1 6   18 42 o 65.14201 22.48300 135.8244       104.2843 149.0011       107.7773 -57.63114      412.9666 67.53801 22.86800 77.25248 36.21060 -9.714470      42.82701 
1 1 1 6   18 43 o 184.2916 11.70877 1037.651       125.8972 1018.458       131.3739 1253.557       440.6233 182.1501 12.37126 161.9525 44.85366 20.19757       46.52848 
1 1 1 6   18 44 o 62.93815 22.88402 124.6786       109.2504 143.3603       113.5956 -105.5992      398.8214 66.12149 23.41946 72.45972 34.44704 -6.338234      41.65417 
1 1 1 6   18 45 o 37.02772 17.88985 -153.3391      117.6681 -87.93835      123.9361 -751.2908      374.7483 42.31768 19.83606 53.67510 26.96039 -11.35742      33.47136 
1 1 1 6   18 46 o 112.2733 21.78164 436.2863       138.2472 399.3990       143.6916 895.5766       507.0333 105.7673 23.74788 117.7508 47.54751 -11.98349      53.14817 
1 1 1 6   18 47 o 67.87237 25.11678 155.9339       132.5275 205.7257       136.6635 -629.5216      542.7932 75.11466 25.74479 66.72033 33.35780 8.394333       42.13712 
1 1 1 6   19 0  o 151.2692 9.471795 674.4174       83.60809 48.83309       228.2721 771.3420       89.85184 76.06429 31.44495 161.8110 9.510150 -85.74675      32.85160 
1 1 1 6   19 1  o 83.81984 32.57157 131.8649       229.5383 131.8649       229.5383 0.000000       0.000000 83.81984 32.57157 ?        ?        0.000000       32.57157 
1 1 1 6   19 2  o 1026.669 20.19629 31077.04       1216.053 0.000000       0.000000 31077.04       1216.053 ?        ?        1026.669 20.19629 0.000000       20.19629 
1 1 1 6   19 3  o 932.3389 14.24858 25559.82       779.1048 23968.54       1146.317 26925.97       1062.134 901.2282 21.68799 955.9272 18.94540 -54.69904      28.79752 
1 1 1 6   19 4  o 524.7312 9.011086 8083.112       277.3094 7524.486       432.3049 8473.690       361.4798 505.6086 14.59418 537.0731 11.47625 -31.46442      18.56595 
1 1 1 6   19 5  o 534.0162 7.920444 8369.762       248.0587 8373.257       474.1992 8368.445       291.0583 533.2852 15.17724 533.8853 9.295689 -0.6000366     17.79771 
1 1 1 6   19 6  o 142.2424 8.471085 596.0292       70.34723 646.7427       199.1997 588.8033       75.19208 146.0140 24.10200 141.3225 9.120860 4.691559       25.77007 
1 1 1 6   19 7  o 247.9981 6.980470 1806.286       101.4264 1737.350       225.5896 1823.752       113.5506 242.4132 15.95636 249.1488 7.780591 -6.735626      17.75227 
1 1 1 6   19 8  o 329.6683 8.421519 3192.728       162.6906 3272.948       265.9141 3144.736       205.6771 333.3031 13.63230 326.9933 10.73955 6.309784       17.35446 
1 1 1 6   19 9  o 417.0874 10.62196 5114.613       259.6144 5079.096       334.1146 5168.731       412.4309 415.2702 13.73765 418.4652 16.83950 -3.195007      21.73228 
1 1 1 6   19 10 o 334.4829 11.01097 3291.733       215.7037 3320.530       266.1073 3236.559       368.3370 335.6572 13.54576 330.5552 19.08097 5.101990       23.40023 
1 1 1 6   19 11 o 447.7444 10.74608 5892.399       282.1829 5850.406       365.9806 5953.963       443.1292 445.5642 14.02291 449.0045 16.85781 -3.440277      21.92778 
1 1 1 6   19 12 o 250.3364 23.74768 1876.265       344.4853 0.000000       0.000000 1876.265       344.4853 ?        ?        250.3364 23.74768 0.000000       23.74768 
1 1 1 6   19 13 o 411.0680 10.16623 4967.129       245.0892 4881.964       312.0786 5104.191       395.9063 406.9953 13.09150 415.5996 16.27448 -8.604309      20.88651 
1 1 1 6   19 14 o 357.4452 10.14475 3759.585       212.4524 3670.211       264.6530 3921.558       356.2818 352.8042 12.81193 364.0037 16.73404 -11.19952      21.07542 
1 1 1 6   19 15 o 364.4098 9.860113 3907.615       210.5344 4037.133       272.5934 3716.141       331.4402 370.0040 12.58029 354.3527 15.98966 15.65128       20.34534 
1 1 1 6   19 16 o 165.1445 14.11865 810.4634       135.4333 771.8488       161.1362 903.3806       249.9567 160.5732 17.38788 172.0287 25.54985 -11.45551      30.90523 
1 1 1 6   19 17 o 75.64975 25.26331 162.5964       131.5621 203.5090       157.1182 66.61036       240.6587 83.83813 27.59488 78.47473 32.34888 5.363403       42.51973 
1 1 1 6   19 18 o 159.8837 14.56064 761.5280       135.0358 751.2061       159.7780 787.3312       252.6229 158.2350 17.50988 159.4223 28.04262 -1.187332      33.06032 
1 1 1 6   19 19 o 472.0928 10.20960 6562.378       282.6744 6721.803       384.3795 6374.609       417.1526 476.8010 13.76027 463.8435 15.35578 12.95749       20.61905 
1 1 1 6   19 20 o 448.5235 10.04277 5924.587       264.1735 6211.753       363.3789 5602.683       384.7301 458.2684 13.53522 434.7365 15.11265 23.53189       20.28779 
1 1 1 6   19 21 o 126.1380 12.80627 474.7762       93.42513 526.0502       100.2220 134.7546       258.0880 132.8002 13.03587 85.93433 34.18662 46.86589       36.58769 
1 1 1 6   19 22 o 114.6463 12.21714 392.4572       80.88079 407.4418       84.54073 230.5476       277.8933 116.7837 12.53953 96.49370 36.23927 20.28999       38.34742 
1 1 1 6   19 23 o 213.8573 7.880074 1346.984       98.66464 1397.970       104.3314 915.5102       303.5055 217.8360 8.181013 170.2482 31.55900 47.58777       32.60214 
1 1 1 6   19 24 o 50.14257 19.47797 47.95648       82.06267 54.26691       85.13496 -34.77259      308.2531 51.78487 19.91319 79.51354 34.78242 -27.72867      40.07932 
1 1 1 6   19 25 o 211.5039 8.715714 1318.762       107.8799 1311.545       113.1836 1390.396       356.5938 210.8630 9.174305 211.5921 29.53986 -0.7290955     30.93172 
1 1 1 6   19 26 o 287.6149 13.04454 2450.501       219.4618 2295.811       256.6253 2871.593       423.4056 277.7033 15.82226 307.9914 23.62080 -30.28802      28.43038 
1 1 1 6   19 27 o 213.6783 9.074912 1346.822       113.4654 1386.595       119.0150 949.9427       375.9579 216.7721 9.383780 170.7632 38.46659 46.00890       39.59462 
1 1 1 6   19 28 o 57.31868 23.85969 27.11442       132.7036 69.33020       145.1054 -188.6645      328.0580 64.23627 25.60779 73.45974 33.66978 -9.223473      42.30145 
1 1 1 6   19 29 o 156.2965 11.06942 725.1452       100.8105 805.5657       105.4158 -135.4008      344.8335 164.7928 10.96975 77.97713 35.26169 86.81569       36.92860 
1 1 1 6   19 30 o 167.0080 10.54447 827.3066       102.7519 856.7603       106.8519 465.4463       374.5267 169.9236 10.77759 121.7784 42.57430 48.14519       43.91728 
1 1 1 6   19 31 o 59.07536 20.97577 93.02612       91.17528 65.00165       94.25773 500.6025       359.4618 54.88903 20.99179 123.8812 41.76339 -68.99219      46.74223 
1 1 1 6   19 32 o 332.9896 7.661624 3266.905       149.6243 3322.098       161.3745 2928.779       399.4243 335.6760 8.197171 309.2544 22.16966 26.42166       23.63657 
1 1 1 6   19 33 o 165.8182 11.10861 818.6679       107.4063 820.4061       112.5036 800.7802       360.9154 165.8729 11.63873 151.9688 39.96864 13.90411       41.62874 
1 1 1 6   19 34 o 260.0636 8.384315 1999.554       127.7114 2035.861       134.7919 1680.953       399.2967 262.3150 8.774080 227.2371 30.75006 35.07796       31.97735 
1 1 1 6   19 35 o 325.9290 7.734066 3137.955       147.8364 3196.369       158.7253 2755.497       406.1409 328.6862 8.240559 295.8355 23.60425 32.85077       25.00135 
1 1 1 6   19 36 o 295.1505 8.222626 2581.907       142.1940 2584.063       151.0910 2565.198       420.5831 295.0707 8.740595 281.4821 25.76249 13.58853       27.20485 
1 1 1 6   19 37 o 48.73996 20.44443 22.75965       98.54932 30.43612       101.7913 -92.02620      393.6172 50.33654 20.92034 79.26941 36.53262 -28.93287      42.09861 
1 1 1 6   19 38 o 150.9137 12.50975 691.5638       109.7265 700.2634       113.8120 576.8771       413.2337 151.6965 12.91540 118.3920 44.24749 33.30447       46.09390 
1 1 1 6   19 39 o 148.2664 18.47235 697.7258       157.1517 715.2701       168.9827 585.4307       427.5172 149.3391 19.77970 116.7010 44.68752 32.63819       48.86932 
1 1 1 6   19 40 o 49.39003 20.78184 27.44726       102.3257 26.85614       105.5215 36.76545       418.9573 49.90462 21.05692 82.90497 38.01778 -33.00035      43.45970 
1 1 1 6   19 41 o 61.50962 23.02298 108.4292       111.9630 60.84217       116.0984 740.9313       423.2657 55.53564 22.63186 123.7607 45.03646 -68.22511      50.40321 
1 1 1 6   19 42 o 79.97978 22.44735 220.2154       109.5684 203.1428       113.5989 448.0831       415.0174 76.75233 23.24297 100.9752 42.12612 -24.22282      48.11284 
1 1 1 6   19 43 o 148.5920 14.31966 690.9828       123.2460 735.4932       129.0473 229.0569       415.7239 153.1925 14.53751 87.43761 39.19772 65.75485       41.80671 
1 1 1 6   19 44 o 64.74591 24.11364 131.7037       122.5164 132.9986       128.3419 118.4041       411.3201 65.30878 24.60619 81.29015 37.42091 -15.98137      44.78604 
1 1 1 6   19 45 o 103.8029 21.81498 373.9251       128.5793 326.8912       133.9775 922.5574       457.5804 95.33402 23.98633 124.6997 46.57001 -29.36567      52.38425 
1 1 1 6   19 46 o 74.03848 26.05061 196.5526       140.3725 249.0264       147.8857 -280.8694      446.0729 81.58942 26.76756 68.70288 33.56349 12.88654       42.93029 
1 1 1 6   20 0  o 725.5243 12.98682 15475.06       552.5930 15407.17       790.3021 15540.00       772.9558 722.7147 18.66118 726.1639 18.14970 -3.449219      26.03174 
1 1 1 6   20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   20 2  o 905.1934 13.89933 24098.84       737.8801 23313.89       1135.004 24673.45       971.1019 888.4088 21.78381 914.9767 18.09690 -26.56793      28.32018 
1 1 1 6   20 3  o 452.0844 10.09756 6002.841       267.7236 0.000000       0.000000 6002.841       267.7236 ?        ?        452.0844 10.09756 0.000000       10.09756 
1 1 1 6   20 4  o 673.0862 10.74412 13309.91       424.1234 12356.30       628.2274 14108.52       574.9142 647.4855 16.55742 692.5088 14.15556 -45.02325      21.78367 
1 1 1 6   20 5  o 245.0975 8.537115 1765.858       122.5285 1593.828       221.8854 1841.333       146.9692 232.0390 16.41074 250.1729 10.03732 -18.13393      19.23695 
1 1 1 6   20 6  o 203.2054 7.181942 1213.460       85.45632 989.7885       191.9630 1268.742       95.43440 182.3020 18.19747 207.7461 7.846989 -25.44411      19.81725 
1 1 1 6   20 7  o 359.7784 10.22837 3806.100       215.6011 3883.677       283.5244 3699.733       331.9915 363.0842 13.33740 354.0020 16.03243 9.082214       20.85486 
1 1 1 6   20 8  o 346.2729 10.85874 3527.588       220.2478 3611.138       279.1462 3389.798       358.4840 350.0283 13.62411 338.4406 18.12692 11.58762       22.67602 
1 1 1 6   20 9  o 207.8911 9.045478 1271.866       110.0214 1258.819       205.6414 1277.098       130.2272 205.8618 17.18949 208.1713 10.70264 -2.309540      20.24907 
1 1 1 6   20 10 o 466.7765 10.73696 6405.274       293.9280 6263.340       377.5681 6623.602       468.2816 460.9616 13.98242 473.4882 16.89055 -12.52655      21.92713 
1 1 1 6   20 11 o 408.3495 16.74179 4930.012       400.0946 0.000000       0.000000 4930.012       400.0946 ?        ?        408.3495 16.74179 0.000000       16.74179 
1 1 1 6   20 12 o 375.1815 10.37113 4142.067       227.9822 4279.948       292.8243 3929.854       363.2800 380.9842 13.12498 364.3490 17.04823 16.63519       21.51528 
1 1 1 6   20 13 o 58.60358 24.24021 29.38555       135.7544 -13.27360      157.5857 152.1488       267.3283 58.50319 25.23415 89.44368 35.03702 -30.94049      43.17818 
1 1 1 6   20 14 o 137.4468 17.34300 567.5571       136.6944 510.6761       159.7517 723.0513       264.1310 129.3479 21.83546 152.3614 30.62262 -23.01353      37.61027 
1 1 1 6   20 15 o 207.5798 12.32343 1274.200       149.3511 1312.117       173.7161 1166.754       292.4279 210.3785 14.16204 195.6960 26.13178 14.68253       29.72260 
1 1 1 6   20 16 o 325.4951 9.654243 3119.684       184.0912 3032.126       228.3808 3282.113       311.0601 320.4982 12.17233 332.6858 15.98942 -12.18762      20.09545 
1 1 1 6   20 17 o 240.8518 11.02070 1712.369       155.2592 1735.728       187.4222 1661.281       277.1753 242.1391 13.24840 235.3721 20.27680 6.767029       24.22124 
1 1 1 6   20 18 o 530.4114 10.65945 8287.633       331.5875 8420.082       457.4950 8141.053       481.2798 533.3616 14.63946 524.0859 15.67592 9.275635       21.44873 
1 1 1 6   20 19 f 200.6575 12.52754 1193.254       146.6897 1191.333       177.2921 1197.423       261.1866 199.9940 15.23001 198.6229 22.83689 1.371185       27.44953 
1 1 1 6   20 20 o 58.64318 23.86249 43.72444       128.8369 92.77194       151.0042 -87.51708      247.0110 68.10203 26.43098 67.77082 30.31021 0.3312073      40.21574 
1 1 1 6   20 21 o 210.2531 12.41638 1310.310       152.4228 1392.255       182.1922 1119.187       278.2412 216.3509 14.44157 190.8931 25.48957 25.45779       29.29637 
1 1 1 6   20 22 o 90.41903 25.71608 254.0471       142.8281 268.4824       164.2489 209.2786       289.2511 93.22745 27.88539 95.47576 36.70725 -2.248314      46.09791 
1 1 1 6   20 23 o 315.4460 7.097229 2925.063       131.2999 2942.373       141.2890 2815.469       355.5138 316.3193 7.616090 306.3109 19.89757 10.00833       21.30535 
1 1 1 6   20 24 o 140.3228 11.73071 585.1947       95.65651 612.7061       99.57685 256.2948       344.2975 143.5728 11.93373 104.1615 40.04768 39.41125       41.78793 
1 1 1 6   20 25 o 336.7021 7.696586 3333.872       151.9828 3283.632       161.9323 3705.432       440.3736 334.0828 8.264733 350.9788 21.49702 -16.89597      23.03101 
1 1 1 6   20 26 o 175.7868 10.77138 914.7527       110.5142 915.3887       115.1041 907.2515       395.2906 175.7772 11.22413 166.0215 40.87505 9.755753       42.38810 
1 1 1 6   20 27 o 133.7241 16.95785 540.5968       130.0073 579.9946       138.5784 251.3372       375.4948 138.4645 17.45186 105.7163 41.49095 32.74819       45.01185 
1 1 1 6   20 28 o 210.7322 9.371524 1311.542       115.5324 1348.660       122.2330 1000.560       353.8036 213.6318 9.781968 175.6155 35.57252 38.01627       36.89297 
1 1 1 6   20 29 o 368.5752 7.688614 3999.322       166.1976 4072.979       180.7507 3596.381       422.7609 371.8351 8.288558 344.5673 21.02043 27.26782       22.59554 
1 1 1 6   20 30 o 182.8196 10.37851 990.9561       110.8207 1049.077       117.0106 484.8027       345.3015 188.0668 10.65226 122.2147 40.93034 65.85203       42.29377 
1 1 1 6   20 31 o 52.59179 20.98671 45.87651       97.55721 43.07430       101.2885 81.82206       362.7706 52.92420 21.29351 90.98466 38.74337 -38.06047      44.20930 
1 1 1 6   20 32 o 61.16829 22.06566 98.35414       101.3169 115.5243       104.9995 -133.6256      385.9446 64.45480 22.54176 81.39748 37.00478 -16.94269      43.32995 
1 1 1 6   20 33 o 136.3512 14.00470 561.1367       110.4008 548.8701       115.7787 684.0523       366.4964 134.5815 14.91904 139.0186 41.67122 -4.437103      44.26136 
1 1 1 6   20 34 o 256.6439 8.352483 1948.999       125.5504 1946.254       132.3711 1973.591       396.2368 256.3307 8.818384 247.5165 27.77466 8.814240       29.14096 
1 1 1 6   20 35 o 156.2483 12.07959 734.4654       109.8335 752.1459       114.7555 541.5172       379.0929 157.9932 12.48611 121.0300 42.79071 36.96313       44.57520 
1 1 1 6   20 36 o 122.1999 14.58744 458.6538       102.4821 440.5210       105.9867 719.3152       401.8439 119.3850 15.50318 133.5184 44.13922 -14.13342      46.78268 
1 1 1 6   20 37 o 212.3377 9.818132 1347.860       121.9353 1318.964       127.1095 1681.268       431.7627 209.8171 10.36173 215.2170 35.43972 -5.399902      36.92342 
1 1 1 6   20 38 o 153.9452 12.54703 720.6565       112.2997 737.1635       116.2418 489.5933       434.9043 155.5727 12.85489 110.8759 44.28892 44.69675       46.11678 
1 1 1 6   20 39 o 42.75481 19.49915 -50.36013      108.2453 -17.04747      112.0353 -517.8861      419.7137 46.58947 20.65024 65.42239 32.08525 -18.83292      38.15620 
1 1 1 6   20 40 o 122.1190 15.83723 469.8039       110.7572 446.9007       115.8491 713.2979       377.7365 118.3568 17.19218 125.3050 42.80536 -6.948196      46.12884 
1 1 1 6   20 41 o 132.1461 14.76791 546.3972       112.4976 496.7634       116.8356 1177.796       416.7145 125.0902 16.31417 161.8087 43.13055 -36.71854      46.11286 
1 1 1 6   20 42 o 132.4424 15.97183 557.3338       121.5584 531.5936       126.7847 850.3762       427.7860 128.5103 17.25788 127.9046 45.43317 0.6056671      48.60048 
1 1 1 6   20 43 o 75.66621 23.50786 200.7281       115.2733 220.3223       119.7916 -44.42001      423.7173 78.90440 23.86244 75.97772 35.93924 2.926682       43.13983 
1 1 1 6   20 44 o 44.00982 20.31562 -59.99964      122.4332 -40.48771      127.6931 -282.3091      431.0191 46.49574 21.19496 68.48927 33.35601 -21.99353      39.52024 
1 1 1 6   20 45 o 72.89306 25.98706 188.0647       140.0765 80.78241       147.6104 1159.287       444.1322 60.24792 25.12826 144.8444 46.29774 -84.59645      52.67741 
1 1 1 6   20 46 o 50.83785 22.60869 0.9527199      135.4209 45.39636       140.8965 -537.7449      490.5325 55.66594 23.93385 65.32549 32.50938 -9.659542      40.36941 
1 1 1 6   21 0  o 414.8836 11.45923 5063.465       278.5583 5063.465       278.5583 0.000000       0.000000 414.8836 11.45923 ?        ?        0.000000       11.45923 
1 1 1 6   21 1  o 584.5132 16.15960 10074.56       553.4246 10074.56       553.4246 0.000000       0.000000 584.5132 16.15960 ?        ?        0.000000       16.15960 
1 1 1 6   21 2  o 772.7958 15.45051 17590.75       700.2581 0.000000       0.000000 17590.75       700.2581 ?        ?        772.7958 15.45051 0.000000       15.45051 
1 1 1 6   21 3  o 553.5384 9.261419 8999.625       300.6601 8396.165       459.2163 9452.392       397.7682 533.8009 14.68251 566.9830 11.96216 -33.18213      18.93856 
1 1 1 6   21 4  o 119.4714 10.90980 422.9913       75.59923 -11.96608      186.1831 508.8629       82.72591 63.99530 27.51385 131.1359 10.85358 -67.14063      29.57722 
1 1 1 6   21 5  o 545.3069 9.136599 8734.370       292.1972 7799.881       422.0117 9594.923       404.9731 514.5417 13.99771 571.1794 12.08935 -56.63776      18.49563 
1 1 1 6   21 6  f 471.2887 10.45082 6528.058       288.8602 6736.376       396.6070 6292.708       421.5534 478.0879 14.16058 461.8135 15.58685 16.27441       21.05877 
1 1 1 6   21 7  o 156.6515 8.380316 722.7527       76.71178 535.1182       192.4695 758.1885       83.64243 131.9420 25.79786 160.4108 8.926030 -28.46889      27.29841 
1 1 1 6   21 8  o 96.02450 11.07362 274.7125       61.22146 -38.86704      185.9993 312.8131       64.83414 61.69521 27.00250 102.5658 10.94736 -40.87054      29.13726 
1 1 1 6   21 9  o 378.2859 8.533723 4203.645       189.3255 3913.831       280.5048 4446.139       256.5848 364.3385 13.14914 388.6279 11.26952 -24.28937      17.31768 
1 1 1 6   21 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   21 11 o 68.57190 26.11806 99.51524       145.5329 110.5611       169.3284 68.28983       284.6977 73.24419 28.10442 84.61019 35.06021 -11.36600      44.93414 
1 1 1 6   21 12 o 187.5581 14.01452 1043.248       153.0430 1104.338       180.0686 884.3099       290.4483 192.6688 16.08244 168.9668 30.42903 23.70201       34.41759 
1 1 1 6   21 13 o 217.4231 12.19953 1397.137       154.9367 1315.483       183.8085 1597.557       287.9691 210.5267 14.98499 230.7475 21.52777 -20.22083      26.22965 
1 1 1 6   21 14 o 184.1463 13.70153 1006.203       146.9126 992.7927       175.2942 1037.853       269.3025 182.4126 16.56608 184.4334 25.58533 -2.020782      30.48023 
1 1 1 6   21 15 o 39.62695 19.05869 -191.7584      129.9602 -351.8026      148.6423 327.5791       267.7610 36.67497 18.19085 106.2441 36.04382 -69.56914      40.37405 
1 1 1 6   21 16 o 430.2565 9.975271 5449.515       251.7113 5247.102       319.0744 5783.056       409.5880 421.4438 12.92455 441.6562 15.83857 -20.21240      20.44271 
1 1 1 6   21 17 o 548.3919 10.98593 8862.806       353.3283 8664.522       462.0236 9142.116       548.3586 541.0089 14.57488 554.8454 16.87124 -13.83649      22.29497 
1 1 1 6   21 18 o 282.1644 9.982493 2347.928       164.9328 2391.220       204.6736 2267.751       278.5356 284.3431 12.30261 275.7346 17.31156 8.608521       21.23780 
1 1 1 6   21 19 o 84.02816 24.80514 216.7424       130.6479 410.5889       150.7188 -369.1557      262.0291 114.9615 23.15601 56.29668 27.07248 58.66486       35.62471 
1 1 1 6   21 20 o 164.0678 15.12157 804.5988       143.8667 859.1559       167.7480 652.8602       279.7563 169.1407 17.14726 142.6154 33.94060 26.52534       38.02622 
1 1 1 6   21 21 o 192.2408 13.68940 1099.037       153.3308 1195.512       179.2180 835.5656       296.1698 200.1860 15.38289 162.1975 32.27050 37.98849       35.74938 
1 1 1 6   21 22 o 325.2541 11.06583 3124.272       210.7775 3316.671       263.3475 2781.331       351.5912 334.5726 13.44851 304.4679 19.79737 30.10477       23.93320 
1 1 1 6   21 23 o 306.4278 11.88617 2776.318       213.2045 2854.581       258.3961 2609.396       377.3689 310.1707 14.24280 294.1073 22.03838 16.06348       26.24019 
1 1 1 6   21 24 o 232.5840 11.19762 1599.503       152.2924 1649.829       165.7548 1326.894       385.7785 236.0775 12.01132 205.1413 33.19877 30.93611       35.30482 
1 1 1 6   21 25 o 32.42125 15.87219 -194.8452      101.3258 -190.8058      105.0127 -249.3583      385.7794 33.57119 16.37533 78.28150 36.10953 -44.71031      39.64908 
1 1 1 6   21 26 o 290.4181 8.961124 2486.274       152.4463 2478.628       162.9240 2540.049       432.0745 289.8593 9.597241 288.1493 25.84175 1.710022       27.56634 
1 1 1 6   21 27 o 73.17976 24.64753 153.9277       125.2016 190.7998       132.0136 -175.9452      394.8597 79.55916 25.21992 82.08584 37.36138 -2.526680      45.07679 
1 1 1 6   21 28 o 372.0934 8.892118 4081.086       194.0474 4157.265       215.9517 3761.682       442.1890 375.2110 9.822097 352.2525 21.50692 22.95853       23.64363 
1 1 1 6   21 29 o 94.30324 19.88013 277.7082       106.4799 309.7172       110.7325 -115.1864      387.9509 99.77107 19.62382 83.30310 37.56055 16.46797       42.37793 
1 1 1 6   21 30 o 307.2225 8.095277 2783.922       145.7326 2926.199       158.6167 2013.331       369.1413 314.8642 8.597688 254.7818 25.02698 60.08238       26.46262 
1 1 1 6   21 31 o 118.3407 16.70052 427.9492       112.6899 453.4281       118.4469 184.7917       365.9128 121.7735 17.05194 97.62762 40.02801 24.14586       43.50874 
1 1 1 6   21 32 o 187.9255 10.97470 1050.918       120.4301 1039.920       125.6037 1176.232       423.9744 186.7977 11.52124 183.8468 40.42446 2.950821       42.03423 
1 1 1 6   21 33 o 172.0340 11.66938 884.6472       117.0400 934.6590       122.6132 371.7235       392.6695 176.7861 11.89526 110.5530 42.69913 66.23312       44.32509 
1 1 1 6   21 34 o 125.8272 14.53266 483.0387       105.2748 515.7589       109.6246 95.10114       377.4688 130.0359 14.62798 89.34541 38.79472 40.69048       41.46093 
1 1 1 6   21 35 o 87.58799 21.17216 249.4391       107.5436 243.8285       111.9042 317.2507       389.0359 86.36556 22.02693 102.1252 41.49918 -15.75960      46.98263 
1 1 1 6   21 36 f 139.9348 13.58743 597.7253       110.1079 616.8770       114.1264 340.0478       418.6219 142.0602 13.87486 102.9839 42.57912 39.07626       44.78273 
1 1 1 6   21 37 o 106.6995 19.25148 366.0438       116.0379 342.3839       120.6343 658.8948       424.4123 102.4036 20.79722 124.0400 45.10344 -21.63638      49.66734 
1 1 1 6   21 38 o 97.08912 20.17919 308.9846       111.1467 355.3312       116.5740 -154.2751      368.5573 104.5094 19.74271 72.40762 34.02465 32.10179       39.33766 
1 1 1 6   21 39 o 103.8276 19.54772 352.9563       114.6645 325.4117       120.3759 622.7344       376.7248 98.61251 21.42774 117.9345 42.54816 -19.32199      47.63920 
1 1 1 6   21 40 o 102.1689 19.16413 342.4330       110.6136 367.9739       115.9580 84.35287       368.6036 105.8704 19.38996 80.72162 36.48417 25.14883       41.31665 
1 1 1 6   21 41 o 43.10565 19.70174 -48.35353      111.2832 -61.47631      116.7815 81.24497       366.9959 43.18181 19.90030 79.29596 36.06328 -36.11415      41.18959 
1 1 1 6   21 42 o 173.2811 12.39821 924.3151       125.1645 934.4833       132.6909 842.2343       377.0005 173.7486 13.11866 131.2079 42.71905 42.54073       44.68799 
1 1 1 6   21 43 o 41.76490 19.42758 -71.92501      115.2326 -70.03592      121.0233 -90.26048      377.0405 43.06824 19.99145 71.14161 33.72542 -28.07337      39.20538 
1 1 1 6   21 44 o 55.80816 23.55847 54.89153       132.1788 75.44344       139.9456 -114.9965      402.3598 58.91995 24.51220 70.99806 33.98495 -12.07811      41.90256 
1 1 1 6   21 45 o 149.9671 17.48156 733.9850       150.8743 777.3870       161.2120 427.7584       428.2175 153.7092 18.23834 93.86600 41.02969 59.84321       44.90070 
1 1 1 6   22 0  o 253.0401 8.105036 1882.201       120.1253 1882.201       120.1253 0.000000       0.000000 253.0401 8.105036 ?        ?        0.000000       8.105036 
1 1 1 6   22 1  o 314.2176 6.425740 2897.847       118.4143 2940.913       143.9791 2807.824       208.1642 316.4783 7.757199 308.7765 11.51524 7.701813       13.88434 
1 1 1 6   22 2  o 168.0642 19.59855 846.3275       189.5532 846.3275       189.5532 0.000000       0.000000 168.0642 19.59855 ?        ?        0.000000       19.59855 
1 1 1 6   22 3  o 227.0608 7.362867 1515.273       97.91858 1259.355       197.8368 1598.306       112.6895 205.9531 16.51740 233.1392 8.254745 -27.18604      18.46524 
1 1 1 6   22 4  o 129.2450 8.638205 492.8557       65.10097 275.3483       177.8553 526.5059       69.95578 95.67779 29.10546 133.5715 8.982383 -37.89373      30.45999 
1 1 1 6   22 5  o 231.5572 6.889333 1575.469       93.45506 1442.536       194.7568 1615.236       106.5200 220.6848 15.13940 234.4014 7.759240 -13.71664      17.01197 
1 1 1 6   22 6  o 37.08413 14.47922 24.27822       45.53109 46.85843       167.1598 22.46872       47.32029 66.04911 27.06467 37.22013 14.69200 28.82898       30.79531 
1 1 1 6   22 7  o 185.7366 7.465776 1014.702       81.15911 1170.092       186.2411 978.2760       90.17118 198.4472 16.14148 182.2869 8.457599 16.16031       18.22302 
1 1 1 6   22 8  o 254.1022 8.278844 1898.907       123.2108 1806.740       199.1127 1956.099       156.8466 247.2042 13.78850 257.6902 10.39968 -10.48598      17.27067 
1 1 1 6   22 9  o 201.2471 11.15930 1195.487       131.1938 0.000000       0.000000 1195.487       131.1938 ?        ?        201.2471 11.15930 0.000000       11.15930 
1 1 1 6   22 10 o 44.43910 20.77694 -130.1814      134.5158 -204.7428      154.9824 97.52170       270.8380 44.50945 21.24726 85.05173 34.60184 -40.54227      40.60460 
1 1 1 6   22 11 o 457.5347 10.47006 6160.363       280.9465 5955.449       350.8006 6526.871       469.1552 449.1739 13.33141 469.2729 17.07518 -20.09900      21.66306 
1 1 1 6   22 12 o 545.1028 11.09361 8750.098       354.6514 8445.371       453.1204 9231.962       569.7982 534.5466 14.46695 557.9206 17.43539 -23.37402      22.65580 
1 1 1 6   22 13 f 245.2856 11.07686 1775.703       158.9340 1830.472       187.7908 1637.430       298.3835 248.7624 12.91603 233.2602 22.07401 15.50218       25.57510 
1 1 1 6   22 14 o 195.9727 12.31567 1137.134       140.8324 1133.500       161.1733 1148.867       289.6026 195.3557 14.16368 193.8053 26.14552 1.550339       29.73547 
1 1 1 6   22 15 o 262.2339 10.99495 2029.894       168.7206 1939.464       198.2600 2267.363       321.2776 255.9297 13.25397 275.1392 20.04784 -19.20952      24.03297 
1 1 1 6   22 16 o 401.3649 9.871715 4743.794       232.3713 4617.416       294.2396 4953.244       378.7953 395.2376 12.71035 408.4852 15.84170 -13.24762      20.31040 
1 1 1 6   22 17 o 228.4812 11.62059 1544.184       155.2032 1555.554       182.6137 1514.607       294.5338 228.9461 13.66247 223.5529 22.78297 5.393280       26.56552 
1 1 1 6   22 18 o 185.6743 13.24191 1024.371       143.2494 1025.622       169.9340 1021.301       266.2831 185.2795 15.78905 182.2032 25.62657 3.076294       30.10009 
1 1 1 6   22 19 o 455.6821 10.48937 6121.774       280.3250 6094.711       361.9456 6162.342       443.1452 453.6427 13.61981 455.0566 16.63265 -1.413879      21.49754 
1 1 1 6   22 20 o 119.9479 22.25368 445.0517       150.7845 489.7312       174.8016 315.1435       298.0638 125.3485 24.65687 105.9399 37.89228 19.40856       45.20825 
1 1 1 6   22 21 o 99.47639 26.73271 310.6107       159.2836 399.3876       183.4653 38.85522       320.9912 112.4264 27.94563 85.74451 36.47570 26.68193       45.95036 
1 1 1 6   22 22 o 162.4920 19.61244 799.3753       183.1260 961.6218       214.4968 363.1838       351.6996 178.0647 20.93939 113.6934 41.09827 64.37122       46.12511 
1 1 1 6   22 23 o 547.4957 11.87018 8850.004       381.1436 8752.206       493.0092 8995.289       600.8991 542.9509 15.49846 548.9169 18.69298 -5.966003      24.28230 
1 1 1 6   22 24 o 137.2411 24.82326 585.3267       192.4463 666.6619       221.2625 332.6500       389.9880 146.0863 26.81324 113.3466 42.85133 32.73978       50.54885 
1 1 1 6   22 25 o 195.3246 16.98799 1144.313       192.6692 1266.289       219.9700 742.3786       399.3035 205.1375 18.48182 149.5036 43.15105 55.63391       46.94242 
1 1 1 6   22 26 o 42.12609 19.92645 -146.7767      130.2511 -166.8549      138.8537 0.3656089      375.8922 42.84348 20.35553 88.91366 38.65943 -46.07018      43.69095 
1 1 1 6   22 27 o 189.5862 10.11264 1063.968       112.0335 1099.212       116.6883 648.4673       400.6537 192.6641 10.36521 139.2128 43.91124 53.45129       45.11800 
1 1 1 6   22 28 o 101.5233 18.77945 319.0897       107.6974 309.2745       112.5157 426.3838       372.0059 99.62302 19.95384 117.8618 42.31137 -18.23883      46.78042 
1 1 1 6   22 29 o 204.6326 12.07386 1246.070       144.2571 1287.580       154.8548 973.5665       396.7702 207.8480 12.76522 168.7366 40.59094 39.11147       42.55085 
1 1 1 6   22 30 o 290.4378 8.380227 2490.148       142.5953 2526.746       151.5009 2206.022       422.1281 292.4560 8.843074 264.8290 27.58239 27.62695       28.96529 
1 1 1 6   22 31 o 178.4849 12.27132 951.5652       127.6710 912.4400       134.4260 1311.777       407.8815 174.4992 13.23395 197.3870 36.58098 -22.88779      38.90123 
1 1 1 6   22 32 o 240.8400 9.291340 1718.980       130.9912 1768.637       138.1505 1276.782       412.2581 244.1939 9.665531 192.3254 37.89791 51.86847       39.11105 
1 1 1 6   22 33 o 193.2303 10.78693 1114.442       121.7577 1040.849       127.5569 1869.032       408.4548 186.4229 11.72627 238.0129 29.92086 -51.59006      32.13663 
1 1 1 6   22 34 o 45.03633 20.02392 -27.11726      106.1633 -56.62072      110.2960 344.6028       391.4995 43.27533 19.71589 104.5764 41.93650 -61.30104      46.33990 
1 1 1 6   22 35 o 80.19346 22.87762 211.5354       112.8675 222.9377       117.5170 75.93240       405.2653 82.16335 23.31253 87.80099 39.07526 -5.637642      45.50110 
1 1 1 6   22 36 o 59.69715 22.43508 94.18485       106.5449 119.9158       109.9693 -299.7798      430.3007 64.04742 23.00326 73.84655 35.29332 -9.799133      42.12799 
1 1 1 6   22 37 o 110.2962 18.88084 391.0075       117.7438 370.8483       124.1538 571.2534       371.2404 106.4924 20.62403 116.9237 42.23015 -10.43125      46.99720 
1 1 1 6   22 38 o 105.1471 19.19668 359.8329       114.0181 436.9726       119.3499 -446.1212      385.7791 116.7526 18.00877 63.82458 31.18730 52.92801       36.01337 
1 1 1 6   22 39 o 71.00809 23.73106 166.9165       116.0839 166.9165       116.0839 0.000000       0.000000 71.00809 23.73106 ?        ?        0.000000       23.73106 
1 1 1 6   22 40 o 138.5944 15.64481 605.7242       124.9447 684.4785       132.4078 -34.39499      377.4912 147.4761 15.54224 75.32924 35.08174 72.14687       38.37042 
1 1 1 6   22 41 o 87.45728 23.02569 267.3723       119.7017 306.6716       125.5840 -122.8934      395.7515 93.77211 23.01059 72.25738 34.34035 21.51473       41.33700 
1 1 1 6   22 42 f 75.46100 23.47991 199.8695       114.9510 188.2568       119.7694 335.5476       409.3861 73.42401 24.08900 91.58596 40.07326 -18.16195      46.75624 
1 1 1 6   22 43 o 43.91637 20.32166 -63.60188      123.5960 -97.93927      129.2355 304.2792       423.0112 42.61855 20.06442 88.89417 39.71776 -46.27562      44.49811 
1 1 1 6   22 44 o 88.05087 28.16072 298.8402       164.2979 357.6139       181.2814 28.52295       388.7751 95.11184 29.46848 75.01023 35.15138 20.10161       45.86950 
1 1 1 6   22 45 o 48.92798 21.82880 -5.624399      127.2804 71.33127       134.6971 -647.2626      388.9402 57.50023 23.99476 55.97472 28.02263 1.525501       36.89196 
1 1 1 6   23 0  o 631.1476 11.43105 11720.88       423.1239 11720.88       423.1239 0.000000       0.000000 631.1476 11.43105 ?        ?        0.000000       11.43105 
1 1 1 6   23 1  o 713.8662 12.72339 15006.96       532.6845 15552.84       793.4783 14559.09       718.7173 724.7324 18.68397 701.8250 17.46139 22.90741       25.57325 
1 1 1 6   23 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   23 3  o 98.28997 27.18137 297.7636       161.9473 297.7636       161.9473 0.000000       0.000000 98.28997 27.18137 ?        ?        0.000000       27.18137 
1 1 1 6   23 4  o 433.3065 9.735000 5520.104       247.3897 5515.102       331.5870 5526.384       371.5349 432.4590 13.08887 432.5922 14.66556 -0.1331482     19.65699 
1 1 1 6   23 5  o 691.3681 10.80497 14063.05       438.1103 13189.35       651.1232 14785.82       592.2201 668.0386 16.61924 708.0426 14.26176 -40.00397      21.89970 
1 1 1 6   23 6  o 118.5558 9.361122 415.7770       64.56023 381.9605       172.6491 421.2743       69.61023 110.7973 26.85321 119.2638 10.04537 -8.466507      28.67062 
1 1 1 6   23 7  o 194.3432 7.240530 1110.850       82.38158 1137.372       184.6052 1104.255       92.05630 195.4967 16.24776 193.6899 8.121962 1.806839       18.16469 
1 1 1 6   23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   23 9  o 171.1315 9.098164 863.5790       90.98521 586.7979       173.6520 968.3151       106.8217 138.6990 22.08803 181.1296 10.09582 -42.43057      24.28593 
1 1 1 6   23 10 o 224.1187 12.44493 1485.431       162.9342 1485.508       188.2193 1485.200       325.4590 223.8032 14.41663 221.1548 25.56285 2.648361       29.34788 
1 1 1 6   23 11 o 239.5292 12.64267 1696.972       176.9731 1626.694       208.3951 1878.742       335.1508 234.0395 15.26597 249.6551 23.15401 -15.61554      27.73370 
1 1 1 6   23 12 f 79.75600 26.07601 185.2449       140.3965 243.8849       159.0049 -22.22065      299.0794 89.71554 27.56405 79.59872 34.54766 10.11682       44.19636 
1 1 1 6   23 13 o 235.5294 11.71785 1639.736       161.3533 1610.595       183.8039 1737.644       336.9070 233.1180 13.50177 239.4316 24.33018 -6.313568      27.82544 
1 1 1 6   23 14 o 160.6555 15.07660 770.7046       140.3928 641.0736       157.5981 1269.052       309.0032 145.5900 18.90321 203.4397 26.53006 -57.84969      32.57568 
1 1 1 6   23 15 o 67.49421 24.90733 110.3231       130.1677 149.5378       147.7865 -25.35326      274.8925 75.06221 26.69983 75.84476 33.01763 -0.7825470     42.46228 
1 1 1 6   23 16 o 283.1170 10.25994 2365.148       170.0758 2165.701       202.9037 2836.322       311.8659 270.4198 12.83044 308.3729 17.31366 -37.95316      21.54954 
1 1 1 6   23 17 o 219.7891 12.28671 1431.255       157.7466 1551.228       185.2553 1114.856       300.8482 228.5251 13.88805 189.6676 27.87717 38.85757       31.14506 
1 1 1 6   23 18 o 62.47659 25.08007 60.08624       140.1777 141.8610       161.7149 -187.0492      281.1304 75.47664 27.77781 67.21839 30.94092 8.258247       41.58062 
1 1 1 6   23 19 o 152.2069 17.90226 699.0904       156.7535 800.8724       179.5221 372.4462       321.6028 162.7285 19.17857 112.7915 39.45037 49.93703       43.86513 
1 1 1 6   23 20 o 236.8170 13.02263 1663.088       180.1719 1639.566       210.5783 1727.355       348.0717 234.6137 15.38913 237.7746 25.35099 -3.160904      29.65633 
1 1 1 6   23 21 o 39.98107 19.82895 -412.3633      176.4711 -329.3995      203.4970 -663.9617      354.3788 47.99538 23.26952 60.11120 29.48086 -12.11581      37.55785 
1 1 1 6   23 22 o 277.2459 13.12382 2277.961       212.7852 2128.956       248.1184 2692.237       413.7177 267.3412 15.89674 297.9945 23.87207 -30.65335      28.68069 
1 1 1 6   23 23 o 276.0067 13.63694 2260.367       220.0595 2397.593       262.1567 1933.010       404.9055 283.7154 15.81796 250.4081 28.05279 33.30736       32.20507 
1 1 1 6   23 24 o 299.5008 12.75976 2658.447       223.6118 3012.685       268.0477 1847.699       405.5156 318.4170 14.39095 244.0534 28.89132 74.36354       32.27704 
1 1 1 6   23 25 o 287.0641 13.42298 2447.434       225.3587 2560.344       261.8030 2124.454       442.7895 293.0810 15.28409 261.1504 29.42198 31.93066       33.15504 
1 1 1 6   23 26 o 409.2679 11.50885 4958.198       275.9680 4970.614       339.0231 4933.815       475.1096 408.7986 14.16204 404.4086 20.09488 4.390015       24.58388 
1 1 1 6   23 27 o 329.0970 7.837744 3190.049       151.2744 3163.685       159.9707 3412.943       465.1458 327.5352 8.334600 333.5521 23.93713 -6.016907      25.34664 
1 1 1 6   23 28 o 71.25142 24.42477 145.4610       123.0097 182.5918       129.0480 -223.6850      406.8960 77.61752 24.97093 80.23448 37.03691 -2.616966      44.66856 
1 1 1 6   23 29 o 255.3983 8.660236 1926.866       129.5298 1924.286       136.3642 1950.684       414.3486 255.1234 9.128512 248.0292 29.03354 7.094223       30.43479 
1 1 1 6   23 30 o 500.8997 8.341921 7404.593       245.0571 7460.560       271.8492 7161.910       566.0912 502.4317 9.225723 485.0176 19.94371 17.41409       21.97420 
1 1 1 6   23 31 o 169.3896 12.77833 860.3205       126.0077 945.5596       132.3000 27.62168       413.5083 177.6234 12.78570 90.77324 39.97776 86.85020       41.97255 
1 1 1 6   23 32 o 56.09069 22.32619 58.90005       110.1317 119.2473       115.8245 -510.1273      355.6627 65.59738 23.60175 62.31534 30.33816 3.282043       38.43756 
1 1 1 6   23 33 o 131.8588 15.54597 534.2940       117.9121 521.4798       123.3318 670.5554       402.1754 129.8515 16.57201 131.1038 44.17501 -1.252274      47.18117 
1 1 1 6   23 34 o 64.00900 22.88920 118.3182       108.7534 104.4926       113.0992 287.9237       396.1297 62.32608 23.17687 99.53437 41.31020 -37.20829      47.36771 
1 1 1 6   23 35 o 206.6618 10.60837 1281.531       128.1457 1283.858       134.2426 1257.650       430.0975 206.6193 11.11915 177.9928 41.90135 28.62653       43.35157 
1 1 1 6   23 36 o 155.2197 12.71197 733.5995       114.7077 753.4773       120.9603 556.1016       361.4564 157.0719 13.25446 116.4224 41.71762 40.64950       43.77260 
1 1 1 6   23 37 o 123.1253 16.93167 479.7459       119.0296 463.6508       125.3609 627.1218       379.3404 120.2663 18.35379 119.6100 42.75140 0.6562500      46.52466 
1 1 1 6   23 38 o 68.17474 23.48522 149.7955       113.7698 163.4298       119.1178 8.103966       384.0019 70.60262 24.03935 78.75793 36.21941 -8.155312      43.47109 
1 1 1 6   23 39 o 125.8794 16.03827 501.8520       115.7179 498.8196       121.6236 530.8211       375.9200 124.9146 17.04601 108.1506 41.77658 16.76405       45.12038 
1 1 1 6   23 40 o 138.3240 16.03075 607.6729       127.6424 620.4969       135.6363 508.3972       377.3849 139.1687 16.96861 104.4811 41.41213 34.68755       44.75375 
1 1 1 6   23 41 o 139.3348 15.58700 616.6962       125.1917 659.8649       132.0775 234.7722       392.8557 143.9475 15.91015 86.24274 38.42140 57.70480       41.58529 
1 1 1 6   23 42 o 139.0571 15.83890 617.4825       126.8722 622.6992       133.1833 566.3187       417.0913 139.0622 16.66144 104.2233 42.73437 34.83897       45.86752 
1 1 1 6   23 43 o 95.44392 24.36060 330.4742       136.8005 338.5197       143.9141 255.0742       440.5672 95.95593 25.23965 86.20396 39.32399 9.751968       46.72704 
1 1 1 6   23 44 f 48.95959 22.12501 -22.47449      135.4925 101.5426       141.6589 -1354.651      464.2842 61.71380 25.05510 51.77583 26.42018 9.937969       36.41132 
1 1 1 6   24 0  o 414.6921 8.411489 5053.926       204.5734 4799.134       261.8311 5453.214       327.7723 403.6286 11.07131 429.9097 13.01502 -26.28110      17.08698 
1 1 1 6   24 1  o 276.7543 14.73831 2267.531       238.3546 2267.531       238.3546 0.000000       0.000000 276.7543 14.73831 ?        ?        0.000000       14.73831 
1 1 1 6   24 2  o 314.6901 7.597829 2909.238       140.2243 2909.238       140.2243 0.000000       0.000000 314.6901 7.597829 ?        ?        0.000000       7.597829 
1 1 1 6   24 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   24 4  o 398.8645 9.534573 4679.117       223.0371 0.000000       0.000000 4679.117       223.0371 ?        ?        398.8645 9.534573 0.000000       9.534573 
1 1 1 6   24 5  o 140.5534 8.967631 583.2089       73.53576 180.1751       180.1058 663.8364       80.55611 82.72854 29.46999 149.9665 9.203447 -67.23798      30.87367 
1 1 1 6   24 6  o 336.3023 6.936076 3322.031       136.8026 3271.018       257.5508 3342.081       161.4633 332.7235 13.22498 337.2075 8.164437 -4.483917      15.54214 
1 1 1 6   24 7  o 161.0081 8.682177 764.4212       81.68031 454.8618       187.6188 836.8130       90.72968 120.6833 27.16533 168.4235 9.220535 -47.74012      28.68752 
1 1 1 6   24 8  o 294.5618 11.45462 2560.447       197.5054 2569.176       239.7910 2542.034       348.2794 294.6243 13.91692 291.4906 20.50369 3.133698       24.78068 
1 1 1 6   24 9  o 277.4463 8.359160 2265.301       135.8615 2274.281       224.8171 2260.135       170.5215 277.1350 13.87622 276.8421 10.52174 0.2929382      17.41426 
1 1 1 6   24 10 o 259.6886 8.688737 1985.668       132.1442 1828.929       214.1814 2082.001       167.9121 248.2383 14.77858 265.6282 10.80101 -17.38986      18.30487 
1 1 1 6   24 11 o 494.2649 10.92733 7199.002       316.7556 6876.187       393.6898 7791.589       533.4003 482.1202 13.93813 511.8421 17.79623 -29.72186      22.60480 
1 1 1 6   24 12 o 168.5213 15.89026 849.0635       155.1954 846.0800       175.1736 859.9510       334.6345 167.7497 18.09136 163.9072 35.81480 3.842529       40.12477 
1 1 1 6   24 13 o 132.5173 20.35247 536.0162       153.1263 569.6071       174.0827 421.1533       321.9106 136.1162 22.59915 117.8848 39.52025 18.23138       45.52551 
1 1 1 6   24 14 o 535.9445 11.10695 8471.734       349.1124 8098.199       439.7518 9108.445       574.1339 522.7950 14.35612 552.9875 17.72592 -30.19244      22.81022 
1 1 1 6   24 15 o 160.7734 16.23479 775.0560       150.9827 740.3188       176.0965 871.4579       293.3564 156.2900 19.64480 166.1483 31.25249 -9.858353      36.91391 
1 1 1 6   24 16 o 369.3475 10.30314 4024.320       222.9619 4277.421       293.0207 3676.257       343.6214 380.0827 13.16515 351.2736 16.72761 28.80914       21.28695 
1 1 1 6   24 17 o 228.4200 13.01795 1547.740       173.6703 1553.129       203.7585 1533.428       332.0668 228.3213 15.30504 223.6851 25.78390 4.636215       29.98422 
1 1 1 6   24 18 o 120.2522 23.34341 449.2330       158.6917 446.2109       185.7062 457.4131       305.5287 118.9630 27.20972 120.6945 38.38006 -1.731537      47.04676 
1 1 1 6   24 19 o 71.57770 27.95987 100.5572       169.8444 174.7222       194.2229 -140.4958      350.1526 82.92303 30.45490 78.96500 35.63698 3.958038       46.87745 
1 1 1 6   24 20 o 56.12873 25.42755 -92.84100      180.2802 -66.00735      207.3172 -176.0627      365.1017 62.75806 27.93790 79.10802 35.97480 -16.34997      45.54901 
1 1 1 6   24 21 f 140.5958 24.20432 611.8787       192.3803 584.7050       221.7935 694.4339       386.5865 136.1083 28.69096 145.5005 42.59355 -9.392181      51.35544 
1 1 1 6   24 22 o 282.5636 12.70990 2365.523       210.0854 2383.754       243.7272 2312.818       414.4016 283.1580 14.72719 274.9671 26.00649 8.190918       29.88691 
1 1 1 6   24 23 o 215.3588 16.24084 1387.499       203.6148 1352.452       235.2178 1492.269       406.6923 211.7932 19.14332 217.0922 32.97863 -5.299042      38.13210 
1 1 1 6   24 24 f 116.4951 28.90735 433.5685       196.5577 428.8926       224.8160 448.7400       404.9588 115.5484 32.05305 122.4299 44.12111 -6.881424      54.53504 
1 1 1 6   24 25 o 72.54449 28.62183 102.2128       179.5110 225.3217       199.2398 -428.6932      413.7520 88.66285 31.04837 73.96310 35.13999 14.69975       46.89157 
1 1 1 6   24 26 o 281.9699 13.15246 2365.790       216.9012 2423.309       255.3776 2216.871       410.9120 284.6406 15.35487 267.0403 26.59045 17.60031       30.70544 
1 1 1 6   24 27 o 144.1861 23.17524 649.0303       189.3345 847.4154       212.6890 -108.4046      415.5882 165.4148 22.50731 86.19164 38.86807 79.22312       44.91443 
1 1 1 6   24 28 o 167.1996 17.89823 850.4196       172.7801 1043.597       190.8258 -28.47611      407.0314 185.4424 17.76287 88.84660 39.37143 96.59584       43.19293 
1 1 1 6   24 29 o 226.3749 9.468019 1517.677       125.4233 1520.303       131.2565 1490.090       425.4477 226.4655 9.906504 211.5433 35.55204 14.92221       36.90645 
1 1 1 6   24 30 f 226.3853 9.416338 1519.229       124.7475 1513.906       130.0446 1580.604       441.5819 225.8758 9.840457 216.2186 36.09468 9.657211       37.41204 
1 1 1 6   24 31 o 36.88841 17.65335 -140.8005      108.4267 -158.0048      112.8725 64.77937       390.1750 36.92391 17.75941 89.48666 39.13899 -52.56275      42.97973 
1 1 1 6   24 32 o 85.24354 21.60320 235.6533       108.1203 258.9462       113.1935 -6.864925      365.2430 89.30827 21.80410 82.14339 36.78894 7.164879       42.76499 
1 1 1 6   24 33 o 185.4466 11.18835 1032.753       121.1185 1009.443       126.4424 1292.209       421.8420 183.0774 11.83975 184.9452 40.05317 -1.867874      41.76645 
1 1 1 6   24 34 o 67.31557 23.44050 137.9776       113.4692 172.0108       118.4598 -240.6017      395.0919 73.16538 23.95425 72.95649 34.56744 0.2088928      42.05608 
1 1 1 6   24 35 o 40.08025 18.98199 -120.6732      118.8855 -152.5997      124.5140 208.7045       399.9355 39.36765 18.86065 92.62278 40.07603 -53.25513      44.29235 
1 1 1 6   24 36 o 144.0774 13.98710 639.6477       116.7028 547.3271       123.4448 1416.239       358.0303 132.0551 16.28374 198.0197 31.91366 -65.96465      35.82795 
1 1 1 6   24 37 o 62.52543 23.16717 113.8761       112.8155 106.2348       118.5081 187.7299       368.4259 61.96235 23.57624 86.88362 38.01574 -24.92127      44.73293 
1 1 1 6   24 38 o 126.8752 16.82036 512.7861       122.0786 549.8394       128.9313 191.7487       379.5096 131.2300 17.16323 86.55357 38.20180 44.67648       41.88023 
1 1 1 6   24 39 o 119.5972 17.26028 460.6530       117.5664 483.7455       122.8655 210.1367       404.6812 122.3763 17.62686 87.09762 38.88601 35.27864       42.69459 
1 1 1 6   24 40 o 89.40765 23.98968 283.9977       128.3941 283.8970       135.8444 284.8413       393.1003 88.80400 25.01937 89.22400 39.14759 -0.4199982     46.45969 
1 1 1 6   24 41 o 78.42509 25.16945 220.8733       131.1638 178.9020       138.5612 582.7699       406.8714 72.09394 25.82977 106.0827 42.67863 -33.98881      49.88630 
1 1 1 6   24 42 o 68.50071 25.31219 157.2861       134.5107 244.0683       140.7808 -752.3759      455.7932 81.26653 26.07530 59.80613 29.99717 21.46040       39.74609 
1 1 1 6   24 43 o 37.17027 18.43135 -298.8235      152.1926 -389.9867      160.5955 504.5622       476.7447 35.68694 17.88627 97.14433 42.84905 -61.45740      46.43232 
1 1 1 6   25 0  o 363.2100 12.23433 3893.900       260.2365 0.000000       0.000000 3893.900       260.2365 ?        ?        363.2100 12.23433 0.000000       12.23433 
1 1 1 6   25 1  o 228.0948 7.450292 1530.357       99.53047 1510.570       118.4933 1577.766       183.4200 226.4599 8.939351 230.7846 13.61201 -4.324768      16.28492 
1 1 1 6   25 2  o 72.95199 13.47968 162.0267       55.54839 128.6523       60.22448 352.2516       143.7803 64.66743 15.97440 106.4976 23.63734 -41.83022      28.52903 
1 1 1 6   25 3  o 245.4583 13.01907 1782.786       186.7464 0.000000       0.000000 1782.786       186.7464 ?        ?        245.4583 13.01907 0.000000       13.01907 
1 1 1 6   25 4  o 321.7776 8.991714 3047.831       169.5208 3007.439       249.3294 3082.556       231.1756 318.9027 13.36066 323.0873 12.22237 -4.184601      18.10783 
1 1 1 6   25 5  o 392.1332 7.915686 4519.940       182.0424 4462.166       305.0929 4551.880       226.8497 388.5208 13.40969 393.1360 9.846612 -4.615173      16.63657 
1 1 1 6   25 6  o 124.9802 9.217338 462.0393       67.08582 537.8992       194.5520 451.8022       71.46917 131.5169 26.14443 123.4905 9.952352 8.026405       27.97464 
1 1 1 6   25 7  o 69.37688 14.00131 147.2868       55.00214 -120.0562      181.9740 174.1660       57.70094 54.78802 25.09862 75.67680 13.49583 -20.88877      28.49699 
1 1 1 6   25 8  o 162.7216 8.939174 781.3396       84.98093 820.5777       179.6837 770.0341       96.44969 165.0366 18.90509 161.3775 10.24365 3.659119       21.50197 
1 1 1 6   25 9  o 86.12843 11.91014 222.9225       58.55246 186.6257       177.9247 227.3307       62.00619 83.01521 29.31852 86.88248 12.53066 -3.867279      31.88406 
1 1 1 6   25 10 o 92.77123 26.86827 266.4431       154.5656 284.0895       175.3442 204.9436       327.3395 96.00505 28.83401 98.84934 38.75610 -2.844292      48.30564 
1 1 1 6   25 11 o 119.9390 21.70003 443.4347       147.0235 330.8877       164.6443 886.4202       326.6438 102.6519 26.99415 166.6013 34.56464 -63.94936      43.85657 
1 1 1 6   25 12 o 312.9782 11.14220 2892.951       204.1935 2998.191       246.2345 2661.228       365.3773 318.1697 13.22475 297.4305 21.08286 20.73929       24.88737 
1 1 1 6   25 13 o 320.8389 10.62300 3038.300       199.6115 2772.370       231.7800 3801.848       392.7450 305.9715 12.94574 356.5407 18.84937 -50.56921      22.86681 
1 1 1 6   25 14 o 129.0397 20.05637 509.0092       146.8565 542.8453       166.6806 391.6046       310.4826 132.7921 22.18445 114.1075 38.81153 18.68459       44.70441 
1 1 1 6   25 15 o 184.2322 14.34506 1011.378       153.7745 945.9514       175.4418 1228.267       319.4288 177.5436 17.05881 199.0472 28.14776 -21.50356      32.91351 
1 1 1 6   25 16 o 59.29401 24.88430 21.57219       146.1171 -158.6646      168.1772 576.5837       295.1185 49.56886 23.19359 133.5863 36.59523 -84.01740      43.32613 
1 1 1 6   25 17 o 298.6165 11.72593 2636.572       204.9588 2765.088       246.0943 2345.602       370.2937 305.3454 13.77780 278.3843 22.88223 26.96103       26.71000 
1 1 1 6   25 18 o 290.7877 12.35748 2502.473       210.2641 2657.104       259.3053 2205.604       359.2909 299.0581 14.83072 269.9139 22.91345 29.14417       27.29426 
1 1 1 6   25 19 o 254.7664 13.88149 1926.797       206.6259 1743.089       236.9576 2509.739       422.1042 241.5753 16.83031 287.0611 25.33200 -45.48573      30.41331 
1 1 1 6   25 20 f 77.31519 28.93096 143.1724       176.7726 154.6234       199.4924 101.3147       381.4095 81.14964 30.65494 96.18048 40.27367 -15.03084      50.61318 
1 1 1 6   25 21 o 342.2010 11.89356 3463.746       238.3323 3540.444       287.9231 3296.809       424.7766 345.3294 14.24709 330.3846 22.04870 14.94482       26.25119 
1 1 1 6   25 22 o 62.42011 26.97097 -8.552526      180.6467 -90.22329      203.6652 292.7235       391.1703 60.28747 27.19595 109.6722 42.54713 -49.38474      50.49632 
1 1 1 6   25 23 o 83.12714 29.74390 188.5629       183.6735 138.7484       206.7747 374.8793       399.8940 79.85498 30.94653 116.0974 43.49932 -36.24246      53.38426 
1 1 1 6   25 24 o 247.5487 14.98088 1830.826       216.4767 1923.506       251.9890 1569.762       422.9258 253.0682 17.07829 221.0469 33.68666 32.02132       37.76849 
1 1 1 6   25 25 o 86.36060 30.58812 212.0535       193.7821 274.5034       219.7198 -6.596581      411.1290 95.49174 32.64598 91.07773 39.99577 4.414017       51.62772 
1 1 1 6   25 26 o 217.4472 14.93274 1417.265       189.2777 1420.430       211.0124 1404.230       428.1959 217.1057 16.70068 205.8511 36.81995 11.25467       40.43045 
1 1 1 6   25 27 o 322.0528 11.62389 3079.829       219.1877 3022.927       252.6680 3252.875       440.6229 318.3430 13.56442 325.0218 23.26950 -6.678864      26.93442 
1 1 1 6   25 28 o 113.8306 28.16010 422.6394       186.9479 456.6987       208.0736 279.9985       425.8156 117.7961 30.03192 107.5323 43.51865 10.26376       52.87522 
1 1 1 6   25 29 o 38.94577 19.32243 -382.5229      168.1468 -405.3060      184.4461 -270.4375      409.1072 41.16693 20.39154 77.16982 36.12970 -36.00288      41.48699 
1 1 1 6   25 30 o 168.7310 19.83838 884.7191       192.5676 870.5786       216.7537 937.6858       419.5025 165.8629 22.89246 158.2019 43.74650 7.660950       49.37429 
1 1 1 6   25 31 o 40.05681 18.48428 -70.18723      101.2251 -30.69178      104.7222 -632.0891      394.9986 44.44384 19.81604 62.87429 30.89419 -18.43044      36.70322 
1 1 1 6   25 32 o 87.51106 21.06171 249.5290       106.7836 266.1071       111.3601 60.17793       376.3531 90.30586 21.36271 85.33173 37.83390 4.974129       43.44847 
1 1 1 6   25 33 o 139.0401 14.95337 595.5981       120.0209 616.3569       125.4746 372.2468       411.5747 141.2675 15.39350 104.3509 42.57918 36.91657       45.27634 
1 1 1 6   25 34 o 73.35372 24.05807 174.4133       119.4661 227.8565       125.2882 -360.8587      396.5071 82.37920 24.28385 68.60190 33.06903 13.77731       41.02762 
1 1 1 6   25 35 o 69.96966 24.44230 154.5744       123.4300 38.60584       132.1675 945.6899       345.2028 55.90874 23.57689 154.5906 38.27891 -98.68184      44.95714 
1 1 1 6   25 36 o 90.83228 22.22462 279.4929       117.4078 344.8831       125.4687 -180.9064      332.9253 101.3871 21.75265 67.04034 31.75466 34.34676       38.49073 
1 1 1 6   25 37 o 112.0598 20.28145 415.0614       128.3849 434.7979       136.0630 254.8470       387.6638 114.2536 21.08228 90.56319 39.31937 23.69037       44.61475 
1 1 1 6   25 38 o 184.3060 12.57513 1043.043       135.1117 1058.406       143.3594 920.9338       404.1682 185.1826 13.28839 137.8317 44.17699 47.35092       46.13228 
1 1 1 6   25 39 o 145.5507 14.93069 666.8395       125.6466 676.3331       132.5594 582.8710       394.2326 146.0612 15.72211 108.5145 42.53611 37.54662       45.34871 
1 1 1 6   25 40 f 99.88675 23.36160 351.7785       134.4012 358.9155       142.9857 297.6384       393.8170 100.0535 24.55382 89.10001 39.13539 10.95354       46.20031 
1 1 1 6   25 41 o 150.0699 16.97062 728.4478       146.7448 750.4102       156.4989 568.5560       422.2644 151.5131 17.96104 103.1758 42.72103 48.33731       46.34312 
1 1 1 6   25 42 o 187.8995 13.90038 1107.652       152.0955 1190.524       161.0343 422.7412       462.9487 194.5467 14.21184 93.42320 41.65865 101.1235       44.01613 
1 1 1 6   25 43 o 57.46521 24.75481 52.09265       151.2808 71.30847       158.5093 -144.2934      506.7346 60.04273 25.59014 74.38347 36.21332 -14.34074      44.34253 
1 1 1 6   26 0  o 586.9888 10.78333 10152.20       371.2215 10414.41       528.4283 9896.704       521.6110 592.9325 15.20859 577.9222 15.40331 15.01025       21.64632 
1 1 1 6   26 1  o 54.61020 16.75788 88.54853       58.79324 81.91844       62.98223 133.4753       163.9498 53.49424 17.46358 74.91151 27.89563 -21.41728      32.91113 
1 1 1 6   26 2  o 129.0741 9.337838 492.8433       70.20852 492.8433       70.20852 0.000000       0.000000 129.0741 9.337838 ?        ?        0.000000       9.337838 
1 1 1 6   26 3  o 264.5623 7.257312 2058.542       112.4978 1925.810       130.1433 2450.885       223.7516 255.7180 8.690435 287.7365 13.29524 -32.01848      15.88355 
1 1 1 6   26 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   26 5  o 123.5191 9.121232 451.4260       65.60903 529.0596       188.1147 440.6747       70.00479 130.3996 25.51184 121.9365 9.873501 8.463097       27.35581 
1 1 1 6   26 6  o 175.1832 8.251245 904.6279       84.53573 1059.364       193.0162 867.9017       94.03426 187.9653 17.71820 171.4489 9.387744 16.51633       20.05155 
1 1 1 6   26 7  o 292.1724 7.015092 2508.838       120.2052 2531.754       238.4932 2501.034       139.1759 292.2137 13.95668 291.4909 8.149199 0.7228088      16.16163 
1 1 1 6   26 8  o 290.5089 8.390768 2484.980       142.8093 2383.529       233.1237 2545.919       180.6796 283.4561 14.06725 293.7130 10.50595 -10.25687      17.55741 
1 1 1 6   26 9  o 421.2368 10.19223 5228.967       251.7943 5052.281       324.2738 5497.257       399.5887 413.1071 13.40213 430.1223 15.86776 -17.01520      20.77024 
1 1 1 6   26 10 o 193.4471 15.68326 1117.379       176.4052 1212.478       207.0165 865.2407       337.0833 201.0755 17.73641 163.8684 36.05517 37.20708       40.18154 
1 1 1 6   26 11 o 284.8483 11.33606 2398.085       188.9985 2245.988       221.2702 2808.427       363.4427 275.1384 13.75628 305.7166 20.38709 -30.57816      24.59408 
1 1 1 6   26 12 o 75.93194 27.12506 153.0031       152.6896 107.1855       173.8641 307.4876       319.2539 72.83322 28.33486 106.5693 39.06129 -33.73609      48.25608 
1 1 1 6   26 13 o 290.2127 11.46466 2489.816       194.7478 2401.739       230.6542 2708.512       363.4533 284.4931 13.86593 300.0137 20.78501 -15.52057      24.98561 
1 1 1 6   26 14 o 398.4075 10.77458 4684.870       251.5239 4487.931       307.4209 5083.650       437.4557 389.2210 13.48787 412.6198 18.12149 -23.39883      22.59007 
1 1 1 6   26 15 o 413.9134 10.74303 5056.021       260.5671 4742.053       315.4021 5730.965       462.4402 400.1194 13.45994 438.2049 18.03253 -38.08557      22.50205 
1 1 1 6   26 16 o 364.3248 11.08057 3919.291       236.4810 3816.662       291.9059 4115.267       403.3765 358.8082 13.89799 371.0319 18.59668 -12.22372      23.21617 
1 1 1 6   26 17 o 157.3704 20.69194 753.2791       186.3517 652.0734       214.0604 1070.053       378.7115 144.6853 26.19071 182.3331 36.68732 -37.64774      45.07675 
1 1 1 6   26 18 o 329.0497 12.29978 3203.433       236.9432 3215.641       279.1698 3171.983       448.0714 329.1101 14.49920 323.5412 23.78000 5.568909       27.85166 
1 1 1 6   26 19 o 186.9323 17.33155 1049.109       187.8446 1021.322       219.7516 1124.503       361.9701 183.4888 20.78648 187.8032 34.12030 -4.314331      39.95338 
1 1 1 6   26 20 o 133.7703 23.84885 555.8658       180.2392 554.6344       204.5559 560.1414       381.1482 132.6472 27.20797 132.0289 42.95107 0.6183319      50.84357 
1 1 1 6   26 21 o 180.2138 18.67340 981.6486       194.5046 1052.028       223.9514 765.5685       392.4099 185.9497 20.89687 151.1604 42.50056 34.78931       47.36007 
1 1 1 6   26 22 o 117.7253 27.92415 442.4024       189.8650 425.6648       216.0180 499.2433       398.0828 114.9883 31.23094 126.0204 43.90365 -11.03212      53.87859 
1 1 1 6   26 23 o 404.6711 11.90795 4853.975       282.3039 4876.742       342.4233 4805.667       498.8013 404.5984 14.45396 397.9130 21.45348 6.685455       25.86830 
1 1 1 6   26 24 o 102.1296 30.84448 333.3698       200.2440 249.3310       228.3682 612.9163       416.5076 93.05782 33.18064 134.8184 44.94911 -41.76058      55.86929 
1 1 1 6   26 25 o 94.22833 30.01289 278.4711       186.7715 323.8671       210.3749 109.5379       405.8283 100.8699 31.81940 96.52476 41.03587 4.345123       51.92704 
1 1 1 6   26 26 o 49.03780 23.28097 -203.7762      180.9573 -220.5800      202.0587 -135.6945      406.7150 52.00659 24.66439 83.57831 37.99279 -31.57172      45.29663 
1 1 1 6   26 27 o 210.9586 15.59214 1341.532       191.5460 1328.320       214.7347 1392.984       423.7641 209.1084 17.67514 203.2502 36.90927 5.858185       40.92316 
1 1 1 6   26 28 o 129.7911 25.12545 541.3631       184.3406 763.8592       207.1909 -303.7306      403.7960 155.5437 23.44005 75.30881 35.45832 80.23486       42.50563 
1 1 1 6   26 29 o 60.50007 25.82892 20.83348       161.9687 30.33063       177.6858 -25.83733      393.8934 63.77090 27.13360 85.10246 38.15249 -21.33156      46.81714 
1 1 1 6   26 30 o 77.11813 28.83525 166.9173       175.5366 64.21253       197.6060 551.2078       382.2387 68.93509 28.93494 121.4554 42.96541 -52.52029      51.80016 
1 1 1 6   26 31 o 93.33575 28.52126 296.1317       170.5329 374.4090       189.6844 -33.84644      389.4539 103.9427 29.65972 81.77564 37.17510 22.16705       47.55720 
1 1 1 6   26 32 o 156.5770 21.10625 786.6613       188.8846 834.1633       220.7677 656.9048       364.8750 159.0841 24.44315 127.4543 42.05675 31.62979       48.64399 
1 1 1 6   26 33 o 189.6444 10.99192 1082.645       121.7304 1061.404       127.3678 1306.793       413.7446 187.4749 11.64164 183.3513 39.63390 4.123550       41.30827 
1 1 1 6   26 34 o 123.8604 16.55023 482.6953       117.2168 588.6738       123.4440 -488.9237      373.7740 137.4531 15.58807 62.09998 30.41908 75.35311       34.18053 
1 1 1 6   26 35 o 70.06255 24.40493 158.1045       123.0037 155.6825       132.6636 172.9420       328.3575 70.21038 25.25950 84.23766 36.38021 -14.02728      44.28953 
1 1 1 6   26 36 o 83.75021 23.61263 242.1808       120.9525 211.4918       127.9348 500.5307       371.1946 78.36160 24.82565 106.8817 41.45150 -28.52014      48.31708 
1 1 1 6   26 37 o 86.35932 24.15698 261.6244       127.1186 239.5302       134.7726 439.7335       382.6539 82.34422 25.39088 100.7366 41.07423 -18.39242      48.28861 
1 1 1 6   26 38 o 88.96339 23.02185 276.8090       121.0301 350.2298       126.9052 -461.5289      402.4365 100.9648 22.05078 62.90339 30.96264 38.06139       38.01213 
1 1 1 6   26 39 o 71.20968 24.54861 174.5041       124.3136 176.6354       130.1742 152.4210       419.0237 71.64855 25.09604 82.98849 38.04294 -11.33994      45.57495 
1 1 1 6   26 40 o 188.3993 12.81586 1099.761       140.7616 1096.728       148.9236 1125.179       431.1077 187.4803 13.63757 145.8293 45.48579 41.65103       47.48621 
1 1 1 6   26 41 o 71.09574 25.51043 176.6299       135.2114 249.9451       142.1965 -515.0891      436.7742 81.93569 26.19754 62.70007 31.11370 19.23562       40.67399 
1 1 1 6   26 42 o 99.53391 24.14596 359.7843       139.4918 343.7365       145.5936 539.2922       486.9404 96.18903 25.42710 97.77304 43.20772 -1.584015      50.13426 
1 1 1 6   27 0  o 507.4387 10.34045 7588.590       307.7326 6953.089       399.8893 8511.448       481.8914 484.4937 14.08843 535.5871 15.35738 -51.09338      20.84066 
1 1 1 6   27 1  o 374.2268 8.083396 4119.275       177.4105 3854.534       217.2868 4648.694       307.2719 361.5210 10.25861 396.3148 13.23860 -34.79379      16.74812 
1 1 1 6   27 2  o 242.4792 7.696418 1730.663       109.3109 1730.663       109.3109 0.000000       0.000000 242.4792 7.696418 ?        ?        0.000000       7.696418 
1 1 1 6   27 3  o 419.2760 8.620918 5173.043       211.9845 4822.563       258.1217 5899.190       371.5394 404.2561 10.89717 446.1745 14.21688 -41.91840      17.91279 
1 1 1 6   27 4  o 311.2408 6.792831 2846.878       123.9932 2787.048       140.1101 3062.977       266.2807 307.7518 7.769011 321.3555 14.16353 -13.60373      16.15436 
1 1 1 6   27 5  o 157.8465 13.20156 741.7496       121.0928 836.4937       187.9958 674.5663       158.3079 166.2676 19.65905 149.3739 18.46344 16.89372       26.96993 
1 1 1 6   27 6  o 55.89690 15.10650 95.72720       50.69088 103.8436       169.3343 94.92826       53.12717 71.89024 27.96464 55.78368 15.62159 16.10657       32.03210 
1 1 1 6   27 7  o 91.43925 11.11784 250.2297       58.39777 286.2061       187.8521 246.3809       61.44209 96.58088 30.00997 90.59879 11.84715 5.982094       32.26381 
1 1 1 6   27 8  o 224.5898 8.733112 1486.951       114.8104 1366.565       208.7913 1539.129       137.4575 213.7491 16.79018 228.2706 10.29406 -14.52145      19.69462 
1 1 1 6   27 9  o 80.51498 13.12440 196.5611       59.84078 110.0844       192.8036 205.7795       62.94953 75.60222 29.71320 82.35217 13.50111 -6.749947      32.63670 
1 1 1 6   27 10 o 419.1123 10.95054 5185.431       268.9332 5239.780       336.3171 5089.051       447.8657 420.5297 13.65456 412.6345 18.55428 7.895203       23.03711 
1 1 1 6   27 11 o 321.1686 11.67364 3049.436       219.5163 3188.168       267.0024 2760.072       385.6106 327.8480 13.91814 302.4328 21.88861 25.41519       25.93889 
1 1 1 6   27 12 o 121.2105 25.10346 459.6059       172.5766 496.9844       200.4515 352.5451       339.2449 125.4504 27.95977 111.8709 40.37412 13.57945       49.11027 
1 1 1 6   27 13 o 397.6235 11.14028 4668.467       259.5318 4467.117       317.6712 5072.608       450.0587 388.1764 13.97680 411.9516 18.67685 -23.77524      23.32757 
1 1 1 6   27 14 o 303.1918 12.59424 2721.296       223.4567 2619.907       267.4099 2955.948       406.8123 296.7803 15.41641 312.9330 22.31263 -16.15274      27.12046 
1 1 1 6   27 15 o 295.1731 13.54374 2583.274       233.8336 2425.685       271.8138 3031.953       458.6437 285.2980 16.31309 315.8412 24.96316 -30.54318      29.82074 
1 1 1 6   27 16 o 253.5243 13.80909 1908.265       204.5467 1873.960       242.5700 1992.690       380.5344 250.5430 16.60202 255.3006 25.76732 -4.757599      30.65260 
1 1 1 6   27 17 o 41.03355 20.35390 -434.5333      186.1969 -324.4121      214.7200 -768.3937      373.8689 50.14067 24.21087 59.86198 29.53761 -9.721313      38.19210 
1 1 1 6   27 18 o 74.48133 28.86608 116.0793       179.9168 168.9822       204.4164 -65.78918      379.0133 83.10932 31.10852 85.96469 38.04837 -2.855370      49.14691 
1 1 1 6   27 19 o 205.8355 15.94268 1267.823       190.9571 1305.231       227.3682 1178.268       351.7961 208.0560 18.83762 192.5868 32.28862 15.46912       37.38196 
1 1 1 6   27 20 o 227.8715 14.87807 1549.586       197.7450 1541.682       228.3100 1573.319       395.6271 226.5953 17.31106 223.3922 31.03420 3.203049       35.53582 
1 1 1 6   27 21 o 167.1950 20.70284 854.7872       198.6702 1122.050       229.3751 52.17328       397.4935 191.8646 20.71242 93.50238 40.20096 98.36221       45.22302 
1 1 1 6   27 22 o 302.9527 13.25624 2730.742       234.9594 2870.231       278.5273 2386.528       437.5350 309.8440 15.37563 276.7495 27.31292 33.09448       31.34336 
1 1 1 6   27 23 o 297.3201 13.36276 2633.100       232.4126 2854.611       273.1618 2052.321       442.3108 308.9324 15.12264 254.3011 30.24921 54.63132       33.81877 
1 1 1 6   27 24 o 79.19156 30.09484 153.4394       192.9537 118.2040       218.7945 276.7349       409.2802 78.41628 31.38302 107.3308 42.93358 -28.91454      53.18069 
1 1 1 6   27 25 o 77.25702 29.84720 138.3608       191.9030 307.7263       223.1051 -343.3079      376.2455 98.93960 32.89527 71.60418 33.86918 27.33542       47.21462 
1 1 1 6   27 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   27 27 f 141.3818 23.65184 634.8049       189.1924 616.9286       214.8429 696.5453       399.2702 137.5490 27.59328 138.3787 43.85923 -0.8297272     51.81719 
1 1 1 6   27 28 o 117.9934 24.78231 453.0402       166.0292 620.6791       184.2412 -271.3644      382.9923 139.2988 23.37972 73.31342 34.52315 65.98534       41.69484 
1 1 1 6   27 29 o 201.1547 15.92002 1236.758       186.2821 1252.662       213.4841 1186.006       381.3584 201.1642 18.29517 181.9916 36.99218 19.17262       41.26905 
1 1 1 6   27 30 o 109.3066 26.38868 403.7374       167.2298 373.3068       185.5818 535.1719       385.6873 103.8992 29.23285 117.7341 42.96838 -13.83482      51.96962 
1 1 1 6   27 31 o 103.6236 27.68469 371.0230       171.4460 470.8612       191.7725 -26.46246      382.6473 116.5356 28.33702 80.55538 36.70903 35.98026       46.37391 
1 1 1 6   27 32 o 157.9525 20.17389 798.6905       182.6219 787.5594       210.3251 832.7924       368.1389 154.2498 24.03239 142.7398 41.50264 11.51007       47.95857 
1 1 1 6   27 33 o 67.66015 27.60677 101.0203       173.0065 171.4518       195.4084 -154.4084      372.1301 76.85242 29.99899 72.69401 34.16862 4.158417       45.46905 
1 1 1 6   27 34 o 63.81371 27.68396 41.17512       191.8664 33.36835       224.6744 62.20475       368.7515 66.92639 29.47199 80.65421 36.46898 -13.72782      46.88906 
1 1 1 6   27 35 o 59.71886 22.34393 100.9770       105.4345 150.2283       111.4365 -319.6408      325.6584 68.02818 23.24944 61.04575 29.55865 6.982422       37.60652 
1 1 1 6   27 36 o 116.6135 17.37298 437.5822       115.1944 431.7049       121.3924 490.7685       365.1758 115.0856 18.62105 104.8343 40.98408 10.25134       45.01598 
1 1 1 6   27 37 o 76.32918 24.39436 203.8339       123.3056 263.7416       130.1172 -323.8231      386.1617 86.07258 24.56659 65.22552 31.72263 20.84706       40.12284 
1 1 1 6   27 38 o 126.9305 16.85306 519.7570       122.3599 502.4739       127.5751 718.2761       432.3714 123.9562 18.08101 114.6210 44.65735 9.335228       48.17885 
1 1 1 6   27 39 o 126.3178 18.01383 522.7462       129.6743 498.3365       135.3537 795.4426       452.4062 122.2016 19.54439 117.3120 45.68752 4.889656       49.69238 
1 1 1 6   27 40 o 87.28199 24.35684 277.6395       129.3961 276.1252       135.1073 294.4230       449.8026 86.55402 25.13566 87.80840 39.93092 -1.254379      47.18348 
1 1 1 6   27 41 o 53.80601 23.05281 40.59948       129.8565 56.26994       136.9858 -98.30167      407.8380 56.32738 23.88976 71.22357 34.12565 -14.89619      41.65670 
1 1 1 6   28 0  o 87.60136 33.14244 182.5097       233.3868 182.5097       233.3868 0.000000       0.000000 87.60136 33.14244 ?        ?        0.000000       33.14244 
1 1 1 6   28 1  o 767.0903 13.86202 17421.71       623.6251 19114.25       983.8383 16284.92       806.3005 798.2707 21.03302 738.5753 18.62938 59.69543       28.09700 
1 1 1 6   28 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   28 3  o 399.0208 8.681447 4686.653       203.1600 4771.430       262.8566 4560.875       320.1705 401.9642 11.16096 392.2169 13.94106 9.747375       17.85834 
1 1 1 6   28 4  o 133.3271 8.470273 525.2397       65.88935 504.2036       69.67006 703.4336       202.7730 130.5338 9.158777 151.1069 23.65655 -20.57306      25.36761 
1 1 1 6   28 5  o 268.5391 11.58385 2132.859       182.0070 0.000000       0.000000 2132.859       182.0070 ?        ?        268.5391 11.58385 0.000000       11.58385 
1 1 1 6   28 6  o 310.5470 7.798658 2838.461       141.9234 3205.588       266.8713 2693.687       167.5864 328.7473 13.87287 302.2524 9.465731 26.49490       16.79454 
1 1 1 6   28 7  o 80.99196 12.64406 198.4315       58.09763 -128.7063      201.5560 228.0748       60.67280 57.61702 26.40204 87.03334 12.22300 -29.41632      29.09415 
1 1 1 6   28 8  o 172.9319 9.135462 883.0695       92.32361 840.7393       195.7719 895.1758       104.6968 166.3937 20.49398 173.9528 10.30868 -7.559082      22.94062 
1 1 1 6   28 9  o 202.1192 15.36784 1218.916       180.8020 1300.836       211.3607 995.4563       349.0817 208.3303 17.45946 176.2370 35.00819 32.09334       39.12040 
1 1 1 6   28 10 o 412.5022 11.37218 5025.811       274.8564 5403.482       359.5214 4494.593       426.3878 426.8207 14.38300 387.6429 18.81139 39.17786       23.67994 
1 1 1 6   28 11 o 207.7293 16.94015 1291.561       204.5888 1388.261       241.9070 1048.646       383.4079 214.7504 19.41675 180.0412 37.52926 34.70929       42.25465 
1 1 1 6   28 12 o 239.9836 14.94703 1713.914       209.3272 1622.623       246.3954 1950.713       396.8325 232.6526 18.20301 252.0046 27.28495 -19.35204      32.79967 
1 1 1 6   28 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   28 14 o 433.7988 12.07520 5563.100       306.9097 5968.850       400.3821 4985.009       477.9079 448.2847 15.25117 407.7223 20.04762 40.56238       25.18939 
1 1 1 6   28 15 o 196.6113 18.53506 1163.326       211.2019 1214.009       242.2988 1003.014       430.9249 200.1916 20.94711 173.7754 42.61401 26.41617       47.48405 
1 1 1 6   28 16 o 252.7746 15.32606 1904.090       226.1356 1946.059       271.0623 1808.012       410.1298 254.7086 18.26705 241.1169 29.62496 13.59171       34.80407 
1 1 1 6   28 17 o 194.3441 17.90382 1136.903       201.7725 1170.465       233.7790 1038.889       399.5109 196.4111 20.60121 177.5167 39.40261 18.89441       44.46319 
1 1 1 6   28 18 o 208.7926 16.95656 1308.681       205.8507 1263.507       238.7528 1439.536       406.3525 204.1454 20.20633 212.2790 33.76966 -8.133667      39.35334 
1 1 1 6   28 19 o 123.1091 25.98085 479.5335       181.6797 354.5449       209.3210 861.2555       365.8062 105.5748 31.45624 160.6735 39.17836 -55.09869      50.24379 
1 1 1 6   28 20 o 70.98731 28.97858 73.22198       190.7419 -141.7616      218.2513 768.4052       392.4676 59.25309 27.26994 149.9550 42.62175 -90.70195      50.59904 
1 1 1 6   28 21 o 147.1608 24.04054 677.3575       200.3279 720.2881       230.5479 545.0436       404.7435 150.6760 27.08515 128.7600 44.29903 21.91595       51.92311 
1 1 1 6   28 22 o 266.3125 14.32882 2119.568       222.9721 2123.992       259.1553 2106.961       437.4984 265.6958 16.71596 257.9589 29.44523 7.736938       33.85919 
1 1 1 6   28 23 o 302.8709 13.16068 2733.924       233.2107 2865.977       276.1772 2405.778       435.3586 309.2563 15.27442 276.9035 27.15713 32.35281       31.15794 
1 1 1 6   28 24 o 156.7284 21.74978 763.1635       194.5379 750.0469       218.2731 813.8254       428.9751 154.0096 25.02407 150.7281 45.06069 3.281509       51.54289 
1 1 1 6   28 25 o 132.9125 25.56055 566.8452       192.0102 644.1165       220.1127 320.8679       392.7206 140.9758 27.61087 107.7816 42.39261 33.19416       50.59143 
1 1 1 6   28 26 o 178.7688 17.65983 977.7602       182.7360 1061.751       201.7836 594.8284       430.8546 185.8675 18.76789 128.8533 45.61283 57.01422       49.32306 
1 1 1 6   28 27 o 51.80350 23.71550 -86.82442      162.1077 -26.19153      178.7554 -367.6137      384.6763 59.10508 26.14653 69.89267 33.39442 -10.78759      42.41259 
1 1 1 6   28 28 o 178.7783 16.17015 980.4986       167.7115 1071.886       190.9930 672.7036       350.5147 186.1876 17.70386 133.0001 40.93657 53.18753       44.60078 
1 1 1 6   28 29 o 246.9702 13.35354 1846.705       192.6962 1978.762       223.4030 1462.932       380.8436 254.6163 15.02754 204.4126 32.88301 50.20370       36.15410 
1 1 1 6   28 30 o 75.70676 28.39245 168.4778       170.4510 61.72159       190.0099 608.4153       385.7227 66.66948 28.19966 122.0267 43.16140 -55.35718      51.55703 
1 1 1 6   28 31 o 104.1710 29.89670 386.7047       192.1898 529.6301       221.2030 -53.45637      388.1880 121.3239 30.98285 78.98154 36.35646 42.34236       47.76744 
1 1 1 6   28 32 o 154.5810 20.07750 769.7129       177.7225 754.7953       205.6560 813.7106       353.1891 150.1846 24.16882 140.2055 40.61769 9.979050       47.26445 
1 1 1 6   28 33 f 210.7942 15.58936 1383.459       191.3609 1468.821       220.6600 1124.520       384.3176 215.5307 17.61016 164.8256 40.13694 50.70508       43.83025 
1 1 1 6   28 34 o 142.5914 24.82262 698.4511       200.0459 790.3041       232.7794 439.0048       391.2204 149.3906 27.58466 102.2851 41.59649 47.10551       49.91173 
1 1 1 6   28 35 o 106.9472 26.40492 410.1144       164.6113 390.3865       188.1082 474.6147       340.1322 101.9363 29.67517 104.1514 39.86522 -2.215057      49.69760 
1 1 1 6   28 36 f 52.95964 24.70276 -95.76591      188.3480 -63.55919      217.2611 -193.1898      377.8692 58.61206 27.05856 68.60056 32.86329 -9.988491      42.56948 
1 1 1 6   28 37 o 86.26947 25.67595 271.1862       139.5209 287.9212       148.1703 140.2715       414.4218 88.37454 26.49739 82.42455 37.80266 5.949989       46.16441 
1 1 1 6   28 38 o 127.5178 16.92248 526.2212       123.4356 533.9241       128.4651 433.5840       445.5026 128.0043 17.57592 95.91846 41.88981 32.08587       45.42763 
1 1 1 6   28 39 f 120.9310 17.08635 477.0071       117.8096 467.1317       121.7313 622.9115       467.9073 119.0212 18.00093 103.7135 44.07635 15.30765       47.61049 
1 1 1 6   28 40 o 118.2182 17.38653 458.5161       116.9470 482.8989       121.8453 173.4200       416.6419 121.1638 17.66656 81.54957 37.58435 39.61423       41.52940 
1 1 1 6   29 0  o 209.2732 8.165645 1290.577       100.0277 1276.710       108.5940 1368.213       256.9517 208.0453 8.920878 212.6934 20.86733 -4.648163      22.69422 
1 1 1 6   29 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   29 2  o 248.8033 12.52402 1834.292       182.1595 1865.960       262.3584 1804.816       253.1149 249.5686 18.04671 245.5253 17.69679 4.043304       25.27568 
1 1 1 6   29 3  o 245.4515 8.116212 1774.502       116.6734 1774.502       116.6734 0.000000       0.000000 245.4515 8.116212 ?        ?        0.000000       8.116212 
1 1 1 6   29 4  o 466.0813 9.329960 6398.264       255.0304 6213.813       325.6813 6690.669       410.0585 458.4627 12.12326 474.8280 14.74299 -16.36523      19.08741 
1 1 1 6   29 5  o 380.7279 14.04788 4298.790       313.1343 4298.790       313.1343 0.000000       0.000000 380.7279 14.04788 ?        ?        0.000000       14.04788 
1 1 1 6   29 6  o 196.3122 9.179068 1137.353       105.3883 843.1711       216.9772 1228.183       120.5651 165.9501 22.90400 203.8811 10.11468 -37.93103      25.03797 
1 1 1 6   29 7  o 298.4706 8.680696 2624.389       151.7906 3006.461       275.6752 2458.157       181.8374 318.1129 14.81701 288.4940 10.76611 29.61899       18.31537 
1 1 1 6   29 8  o 170.7850 9.823963 862.2303       97.98295 531.8804       216.8828 946.9470       109.8303 129.5468 29.24186 178.9040 10.51406 -49.35722      31.07462 
1 1 1 6   29 9  o 273.8749 9.288970 2211.485       148.9846 2110.738       248.1521 2268.267       186.2964 266.1413 15.97195 276.9772 11.49356 -10.83594      19.67753 
1 1 1 6   29 10 o 377.7302 10.47487 4210.005       231.8256 3785.009       308.6172 4760.361       351.1962 357.0383 14.77045 400.4047 14.98189 -43.36642      21.03861 
1 1 1 6   29 11 o 492.6060 9.874519 7150.812       285.2766 7136.754       440.6830 7160.952       374.2845 490.1914 15.34778 491.9096 12.98512 -1.718170      20.10392 
1 1 1 6   29 12 o 352.2392 12.66350 3672.858       261.1769 3771.501       325.9219 3495.839       436.6061 356.0677 15.64559 340.4179 21.98648 15.64981       26.98500 
1 1 1 6   29 13 o 301.5780 12.87437 2695.087       227.1830 2605.843       272.2924 2899.520       412.1171 295.7657 15.75458 309.4312 22.87107 -13.66547      27.77216 
1 1 1 6   29 14 o 363.6933 11.76559 3912.204       250.6270 3773.093       303.5565 4210.102       444.2133 356.3527 14.55539 374.1794 20.31859 -17.82675      24.99409 
1 1 1 6   29 15 o 440.3361 11.84919 5736.130       305.7234 5764.927       381.6697 5684.571       510.6938 440.3617 14.79943 434.8001 20.08144 5.561523       24.94569 
1 1 1 6   29 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   29 17 o 203.0568 17.67501 1242.114       208.3929 1365.575       244.0103 909.3694       400.5875 212.2721 19.82985 164.1819 41.56870 48.09029       46.05627 
1 1 1 6   29 18 o 113.2651 29.15479 413.0683       194.8058 235.0434       219.7929 1065.208       420.6722 91.13344 32.54540 177.3652 41.22674 -86.23175      52.52473 
1 1 1 6   29 19 o 149.7846 22.75299 696.6436       193.5957 872.5621       227.5726 235.8952       368.2952 167.5478 23.83077 102.2654 40.78743 65.28239       47.23897 
1 1 1 6   29 20 o 67.41267 28.04577 49.19208       183.2054 -16.64057      213.1976 235.0464       358.2185 66.43873 28.99758 101.1053 40.25829 -34.66653      49.61441 
1 1 1 6   29 21 o 129.0301 26.34855 532.1890       192.6378 416.3378       217.5031 953.7463       414.9001 112.7723 31.61813 165.4123 42.53288 -52.64004      52.99766 
1 1 1 6   29 22 o 137.5744 25.37858 601.4803       197.2230 622.2090       223.5738 528.7659       418.7408 138.7422 28.43281 126.2974 44.94122 12.44479       53.18024 
1 1 1 6   29 23 o 255.0274 14.80788 1952.684       220.5253 1952.826       252.6927 1952.230       451.6608 254.0772 17.05689 244.8474 32.23561 9.229767       36.47016 
1 1 1 6   29 24 o 123.9347 27.86859 502.9101       197.6317 373.0291       226.9576 910.3280       401.9683 106.1037 32.98875 159.0258 42.34772 -52.92213      53.68042 
1 1 1 6   29 25 o 66.27988 27.23565 67.27397       169.8869 86.28536       189.0883 -12.33031      386.9242 70.67327 28.85182 85.50483 38.10905 -14.83156      47.79882 
1 1 1 6   29 26 o 91.32025 28.62038 275.0086       170.4692 360.5878       187.9237 -122.5430      405.0365 103.2694 29.53926 80.92314 37.20895 22.34621       47.50868 
1 1 1 6   29 27 o 259.5926 13.26801 2034.471       201.3286 2089.533       229.0742 1847.579       422.0338 262.0750 14.96613 232.4286 31.79285 29.64642       35.13930 
1 1 1 6   29 28 o 131.7448 24.46599 573.6003       182.0796 726.0042       211.8492 142.7489       356.1989 148.0337 25.31024 88.04232 37.95645 59.99137       45.62127 
1 1 1 6   29 29 o 206.6473 15.60925 1315.049       187.7756 1259.936       211.3636 1521.450       409.0363 200.5749 18.16488 204.1225 35.45374 -3.547623      39.83630 
1 1 1 6   29 30 o 66.85856 28.27813 67.07876       191.0521 94.53214       218.3985 -22.41600      394.3215 72.12582 30.35543 80.69268 36.95839 -8.566856      47.82650 
1 1 1 6   29 31 o 79.39906 28.90252 205.1118       174.3431 225.1919       196.7182 131.5986       376.3950 82.69274 30.60090 85.84937 37.96088 -3.156631      48.75903 
1 1 1 6   29 32 o 177.3412 16.84371 990.9742       173.0848 1209.711       200.8677 360.2409       341.0927 195.3566 17.72473 97.41605 39.11669 97.94052       42.94510 
1 1 1 6   29 33 o 54.11856 24.78624 -60.60058      177.3362 -5.311325      201.3251 -252.0154      374.5978 61.13063 27.35050 67.82757 32.55302 -6.696934      42.51764 
1 1 1 6   29 34 o 105.1723 26.58215 398.0750       164.0128 370.3728       180.0342 533.2667       397.7157 99.69902 29.03347 107.1323 42.49697 -7.433235      51.46780 
1 1 1 6   29 35 o 50.67529 23.41618 -71.22864      163.2547 -57.14850      185.1751 -120.3617      345.9124 54.82187 25.18964 68.65936 32.47595 -13.83749      41.09995 
1 1 1 6   29 36 o 104.2403 31.07567 430.2003       204.2431 283.2800       232.6861 923.3636       426.3094 85.88265 32.94756 131.1976 45.44917 -45.31496      56.13527 
1 1 1 6   29 37 o 66.72738 27.85223 111.1771       181.5542 146.4837       200.4923 -49.67063      427.9343 71.33208 29.47727 75.25628 35.74943 -3.924194      46.33499 
1 1 1 6   29 38 o 155.7884 23.54660 851.5140       208.4298 1088.823       233.1098 -94.54379      465.4389 176.9862 23.00157 74.82063 36.00630 102.1656       42.72617 
1 1 1 6   29 39 o 49.84124 24.36729 -291.9576      236.4148 -337.7173      273.4047 -156.3344      470.6856 52.67512 25.84631 72.91655 35.36082 -20.24143      43.79977 
1 1 1 6   29 40 o 45.87521 21.48277 -84.35562      144.7735 -75.74231      154.0490 -149.4880      423.6160 47.92201 22.34886 69.83521 33.78999 -21.91319      40.51215 
1 1 1 6   30 0  o 203.9770 9.787307 1228.764       116.7416 1175.307       125.8766 1557.483       312.1447 199.3237 10.80845 226.0659 23.90516 -26.74217      26.23507 
1 1 1 6   30 1  o 190.9522 10.92733 1079.137       121.8631 1079.137       121.8631 0.000000       0.000000 190.9522 10.92733 ?        ?        0.000000       10.92733 
1 1 1 6   30 2  o 386.5115 11.31817 4412.773       256.2838 3826.945       326.3031 5356.040       414.0502 358.7482 15.54580 424.0924 16.67976 -65.34418      22.80101 
1 1 1 6   30 3  o 288.9414 8.585396 2459.407       145.3244 2412.907       164.3338 2626.236       311.2720 285.9938 9.812134 296.3356 17.99524 -10.34174      20.49651 
1 1 1 6   30 4  o 192.7312 9.047780 1096.109       101.9837 1096.109       101.9837 0.000000       0.000000 192.7312 9.047780 ?        ?        0.000000       9.047780 
1 1 1 6   30 5  f 414.3027 8.949906 5053.623       217.4637 5053.623       217.4637 0.000000       0.000000 414.3027 8.949906 ?        ?        0.000000       8.949906 
1 1 1 6   30 6  o 273.8752 10.75764 2215.661       172.4545 2147.670       269.2185 2262.975       224.5805 268.1106 17.21237 276.1169 13.91331 -8.006256      22.13246 
1 1 1 6   30 7  o 447.5346 11.42000 5915.833       299.4941 5399.761       367.8073 6931.290       515.9355 426.5311 14.72553 481.7747 18.29324 -55.24362      23.48369 
1 1 1 6   30 8  o 107.4759 12.05041 345.4173       74.64977 444.8246       226.6302 333.3192       79.06190 118.0780 31.95465 105.3698 13.07414 12.70811       34.52583 
1 1 1 6   30 9  o 177.4962 9.993440 931.5261       103.6089 951.8375       235.9668 926.6750       115.3200 176.2739 23.40275 176.8495 11.17576 -0.5755920     25.93427 
1 1 1 6   30 10 o 129.5681 26.59367 527.7333       195.3047 631.3568       226.4222 226.5388       386.0232 141.5025 28.27346 104.8324 41.77531 36.67011       50.44369 
1 1 1 6   30 11 o 73.64589 29.39766 94.13306       191.4849 185.1001       220.7998 -181.8401      384.5830 86.44267 32.33625 80.86507 36.83144 5.577599       49.01212 
1 1 1 6   30 12 o 338.1989 12.74496 3389.749       252.3384 3592.621       312.1794 3007.352       428.5973 347.3658 15.36180 314.5826 23.39836 32.78317       27.99050 
1 1 1 6   30 13 o 367.7116 11.98989 4002.961       258.2213 3992.063       318.8374 4023.736       440.2073 366.2755 14.87357 365.2945 20.63158 0.9810181      25.43394 
1 1 1 6   30 14 o 233.1651 15.37243 1624.244       209.0388 1509.493       246.1604 1920.988       395.8502 223.6639 18.94402 248.8453 27.58669 -25.18138      33.46492 
1 1 1 6   30 15 o 197.2878 18.43335 1176.116       210.8134 1146.327       244.3087 1262.961       417.1400 193.5891 21.90255 196.1035 37.63817 -2.514404      43.54715 
1 1 1 6   30 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   30 17 o 87.60049 32.49393 203.1828       222.0475 127.2096       255.3367 438.8943       449.7522 83.58091 33.74454 121.8805 46.03113 -38.29961      57.07503 
1 1 1 6   30 18 o 59.38949 26.89787 -91.22805      201.5773 -54.04593      233.2643 -200.8773      400.5752 66.83490 29.70073 80.49128 37.00785 -13.65638      47.45224 
1 1 1 6   30 19 o 51.03314 24.12598 -199.8636      190.4305 -43.86184      216.7608 -727.5179      398.6489 64.92823 28.75392 62.92839 30.94377 1.999840       42.24104 
1 1 1 6   30 20 o 124.9297 26.20895 500.1689       185.8910 328.5384       215.3434 1002.042       368.2401 101.3308 32.22135 172.1600 37.53224 -70.82914      49.46600 
1 1 1 6   30 21 o 177.4191 18.94158 962.8531       194.0460 1031.005       225.4882 768.3138       380.9680 182.6198 21.46280 147.7152 41.99520 34.90465       47.16193 
1 1 1 6   30 22 o 159.1116 21.29960 787.4884       193.7697 741.6347       223.5125 926.2070       388.7603 152.3004 25.95331 161.8475 40.93555 -9.547150      48.46951 
1 1 1 6   30 23 o 209.2140 16.77028 1330.554       204.0479 1338.510       236.9654 1307.736       401.3079 208.5123 19.60786 195.5644 36.32640 12.94786       41.28045 
1 1 1 6   30 24 o 71.29683 28.93312 95.48670       188.8091 241.9762       216.9846 -361.2596      383.1451 89.23746 32.27817 70.13188 33.45886 19.10558       46.49060 
1 1 1 6   30 25 o 111.8342 27.44672 420.0788       178.6543 470.2672       198.3069 203.8505       411.6161 117.7235 28.93192 97.33017 41.35094 20.39331       50.46738 
1 1 1 6   30 26 o 73.49954 28.29653 143.0211       172.0486 200.4009       191.1121 -102.3128      395.1732 81.56620 30.16577 79.43530 36.60752 2.130905       47.43505 
1 1 1 6   30 27 o 42.22894 20.74868 -322.6635      178.0881 -212.3366      200.1074 -742.8389      390.5152 50.58949 24.14785 58.83285 29.23293 -8.243366      37.91679 
1 1 1 6   30 28 o 88.94562 28.82071 271.5648       171.7108 265.3329       193.6243 294.5167       371.5831 88.36150 30.62872 97.16454 40.13884 -8.803047      50.49005 
1 1 1 6   30 29 o 162.7502 21.26139 857.1302       198.0908 878.7847       227.0452 788.1014       405.3730 162.3569 24.61565 134.6830 44.32410 27.67392       50.70065 
1 1 1 6   30 30 o 52.37230 24.15335 -84.08624      172.4801 -49.47041      195.0207 -208.4024      369.5789 58.03504 26.35274 70.15948 33.29772 -12.12445      42.46416 
1 1 1 6   30 31 o 74.90293 28.15106 177.1102       167.7562 229.0230       189.9375 -7.023557      357.7174 81.99493 30.11654 76.36962 35.06106 5.625305       46.21995 
1 1 1 6   30 32 o 56.20645 25.22824 -20.34772      172.7965 70.35400       198.1797 -307.9511      352.8973 66.42651 28.46976 64.00094 30.93642 2.425568       42.04271 
1 1 1 6   30 33 o 63.92850 26.37459 90.86176       160.1536 109.7996       170.9545 -44.96083      457.8275 66.90810 27.38808 79.71832 37.60247 -12.81021      46.51938 
1 1 1 6   30 34 o 39.56302 19.48773 -283.3463      160.3626 -264.7722      169.1145 -448.9946      505.0339 41.79137 20.46904 70.56791 34.72559 -28.77654      40.30941 
1 1 1 6   30 35 f 124.2784 27.25569 567.8054       193.1764 495.2272       222.4899 790.0866       389.3666 110.7904 32.27930 123.8855 43.40247 -13.09513      54.09000 
1 1 1 6   30 36 o 90.50511 29.90982 319.8298       184.5214 299.2467       205.9868 403.4355       415.1469 87.23162 31.46334 94.32729 40.82230 -7.095673      51.54029 
1 1 1 6   30 37 f 46.61731 22.63490 -230.6096      194.4269 -260.0246      219.0706 -121.4899      421.9404 48.89637 23.80627 71.73239 34.45882 -22.83603      41.88256 
1 1 1 6   30 38 o 57.75146 26.69667 -45.95920      212.5128 -3.894465      241.2001 -191.9134      449.2901 63.05455 28.88936 70.79912 34.38372 -7.744564      44.90919 
1 1 1 6   30 39 o 69.80602 30.25313 123.3594       228.6616 38.32431       277.5991 302.8201       403.2770 67.82260 31.04341 85.96271 38.56604 -18.14011      49.50790 
1 1 1 6   31 0  o 322.4821 13.47792 3083.578       254.3435 3645.904       343.4109 2400.315       378.5418 349.6634 16.79520 281.3354 23.14696 68.32794       28.59826 
1 1 1 6   31 1  o 155.4465 11.32662 717.0017       102.5514 639.1263       107.4559 1512.168       343.3672 146.4960 12.63023 221.4824 26.99116 -74.98639      29.80009 
1 1 1 6   31 2  o 246.9530 9.139235 1798.550       132.1371 1798.550       132.1371 0.000000       0.000000 246.9530 9.139235 ?        ?        0.000000       9.139235 
1 1 1 6   31 3  f 258.1745 8.929666 1965.019       135.0034 1918.587       149.3302 2172.765       315.8665 254.9279 10.00747 268.6449 20.19602 -13.71698      22.53949 
1 1 1 6   31 4  o 137.7636 11.58213 564.3229       92.71217 579.2573       98.44231 447.1266       275.7677 139.4910 12.15456 118.6530 36.27126 20.83801       38.25360 
1 1 1 6   31 5  o 36.76401 16.29627 -23.09180      69.78300 -0.7982819     72.32888 -323.1533      265.3552 40.39270 17.25285 58.48973 27.88794 -18.09704      32.79326 
1 1 1 6   31 6  o 350.5183 11.08887 3630.287       227.6680 4059.304       321.8156 3200.440       322.1270 369.5709 14.87810 327.4578 16.82986 42.11304       22.46335 
1 1 1 6   31 7  o 394.4880 10.42446 4593.808       240.9667 4379.969       323.1855 4861.500       361.5973 384.0428 14.37437 404.3052 15.27733 -20.26239      20.97663 
1 1 1 6   31 8  o 145.4887 10.91269 628.2933       92.43474 312.6433       220.0670 695.9114       101.8553 100.9784 32.61989 153.0730 11.42826 -52.09464      34.56388 
1 1 1 6   31 9  o 264.5172 14.31543 2082.140       221.2523 2259.522       257.1899 1577.123       433.9622 275.0913 16.01060 222.3086 34.39421 52.78270       37.93812 
1 1 1 6   31 10 o 167.2854 10.15289 828.6670       99.13998 507.1055       231.3239 901.0204       109.7281 125.4617 31.49077 174.3559 10.78354 -48.89420      33.28593 
1 1 1 6   31 11 o 93.68522 31.41337 262.4731       203.3869 236.5738       233.9941 342.5027       411.3262 92.73179 33.52254 114.2209 43.80914 -21.48907      55.16340 
1 1 1 6   31 12 f 363.9203 12.36588 3926.345       263.5424 3817.665       317.3331 4167.926       473.1192 357.8657 15.15406 370.7429 21.85638 -12.87720      26.59599 
1 1 1 6   31 13 o 448.2411 11.96127 5953.527       314.1603 6062.677       394.8239 5765.158       518.6776 451.0255 14.94694 436.8501 20.30036 14.17538       25.20943 
1 1 1 6   31 14 o 234.2401 15.71182 1644.643       214.5948 1637.757       247.1736 1665.724       432.4554 232.8747 18.24348 227.5027 33.40627 5.371964       38.06314 
1 1 1 6   31 15 o 265.1399 14.92828 2102.430       231.1947 1918.428       267.9875 2637.927       457.1734 252.0122 18.25562 290.9109 27.10804 -38.89867      32.68201 
1 1 1 6   31 16 o 312.6355 13.91666 2915.459       254.5272 3026.479       308.1582 2677.123       451.5096 317.4137 16.61161 293.0987 26.55435 24.31497       31.32218 
1 1 1 6   31 17 o 222.3717 18.20922 1498.645       235.3990 1396.544       273.6344 1789.333       461.7101 212.9286 22.23976 233.9352 34.70343 -21.00668      41.21814 
1 1 1 6   31 18 o 256.7775 15.24330 1978.382       228.5218 2110.844       272.9615 1667.982       417.8450 264.2267 17.71705 226.9337 32.30679 37.29301       36.84593 
1 1 1 6   31 19 o 63.47007 27.98622 -31.73129      203.2083 72.14063       234.5257 -344.6170      407.0373 75.90706 31.66765 74.93427 35.37913 0.9727936      47.48182 
1 1 1 6   31 20 o 302.7187 13.62484 2741.087       241.2719 2727.652       281.6225 2778.155       467.7802 300.8498 16.01900 296.2915 27.22389 4.558319       31.58716 
1 1 1 6   31 21 o 183.7189 19.36419 1039.021       205.5085 1149.580       240.9252 743.7051       393.7583 192.1874 21.75727 143.0628 43.26250 49.12456       48.42543 
1 1 1 6   31 22 o 155.0268 22.02055 756.9736       194.5845 563.7972       224.8135 1333.900       388.5129 129.6668 30.13725 197.8755 34.74524 -68.20868      45.99440 
1 1 1 6   31 23 o 70.01748 28.69489 86.42027       187.9379 290.7489       219.3752 -477.1961      364.3466 94.45792 32.60872 63.94984 31.03548 30.50809       45.01699 
1 1 1 6   31 24 o 41.93840 20.51993 -292.1653      168.6453 -289.9077      190.5864 -300.3118      362.0341 45.94830 22.33311 68.86077 32.75997 -22.91247      39.64825 
1 1 1 6   31 25 o 147.1337 20.49582 689.3538       172.0652 691.6241       189.0789 678.4142       415.0469 146.0552 22.81981 128.8056 44.83212 17.24966       50.30569 
1 1 1 6   31 26 o 54.76149 24.95633 -68.29100      176.8888 -22.22850      197.7792 -252.4343      395.4439 61.11341 27.24152 72.61672 34.45791 -11.50331      43.92548 
1 1 1 6   31 27 o 122.3702 25.37563 506.7392       176.1331 446.3953       198.9565 725.4141       378.7398 112.0348 29.77406 131.5801 42.81588 -19.54533      52.15069 
1 1 1 6   31 28 o 68.95105 28.77348 90.05629       193.6942 87.83469       220.6158 97.52891       404.6136 71.51060 30.32286 86.39574 38.70512 -14.88514      49.16871 
1 1 1 6   31 29 o 85.28222 29.89480 252.4024       184.7397 414.8710       206.3458 -403.8057      414.6976 105.8736 31.15258 67.79813 32.95097 38.07550       45.34589 
1 1 1 6   31 30 o 67.44530 27.34246 111.3247       168.4226 186.9011       189.9809 -166.1356      364.0133 77.09380 29.72038 70.15724 33.22310 6.936554       44.57663 
1 1 1 6   31 31 o 72.28608 28.70263 150.2896       181.5967 227.2447       204.4886 -136.8476      394.9981 81.64609 30.99214 73.15895 34.63380 8.487137       46.47594 
1 1 1 6   31 32 o 127.4302 24.12776 561.6066       173.7177 555.5074       192.2245 588.7849       405.7705 124.2262 27.14466 110.4497 43.19544 13.77649       51.01646 
1 1 1 6   31 33 f 64.95586 27.09987 94.77164       171.7574 111.8297       183.7988 -22.76546      482.4645 67.65402 28.11408 80.32260 38.09889 -12.66858      47.34899 
1 1 1 6   31 34 o 111.8585 29.66899 482.4005       197.7993 536.0434       222.1214 276.9093       434.7412 115.9697 31.73995 88.88361 39.94589 27.08608       51.02057 
1 1 1 6   31 35 o 36.39166 18.38645 -542.3226      188.8356 -413.7559      222.9013 -869.1805      355.4086 44.60361 22.14962 49.77575 25.15754 -5.172146      33.51876 
1 1 1 6   31 36 o 60.35976 26.88262 27.03111       192.1781 174.9214       219.3983 -460.5020      398.3507 74.22058 30.76852 61.08931 30.20704 13.13127       43.11806 
1 1 1 6   31 37 o 106.8000 32.44691 479.5386       221.1336 610.3991       258.1861 119.2295       428.4163 118.0281 34.87779 79.61382 37.17533 38.41425       50.97515 
1 1 1 6   31 38 o 89.65784 34.12494 351.0226       248.3293 85.61244       298.9753 941.4948       445.9398 71.65579 32.57352 123.1834 45.97980 -51.52760      56.34871 
1 1 1 6   32 0  o 613.4381 12.67714 11137.06       456.0818 10853.19       599.2589 11527.85       703.1111 603.1612 16.95750 620.0440 19.35902 -16.88281      25.73574 
1 1 1 6   32 1  o 427.8607 10.01199 5399.283       251.2311 5217.453       294.1559 5889.513       482.9972 419.9135 11.95665 443.3670 18.61651 -23.45349      22.12546 
1 1 1 6   32 2  o 313.4449 15.60256 2928.721       285.9171 2928.721       285.9171 0.000000       0.000000 313.4449 15.60256 ?        ?        0.000000       15.60256 
1 1 1 6   32 3  o 142.5924 11.44464 604.5895       94.90508 604.5895       94.90508 0.000000       0.000000 142.5924 11.44464 ?        ?        0.000000       11.44464 
1 1 1 6   32 4  o 236.0492 9.143195 1644.452       126.3365 1717.184       138.5120 1284.453       308.1588 241.1036 9.816173 203.6216 26.42763 37.48204       28.19179 
1 1 1 6   32 5  f 132.6547 10.91022 523.1496       84.13071 522.6198       87.77671 529.1326       294.9703 132.5033 11.40632 127.4103 37.17998 5.092995       38.89030 
1 1 1 6   32 6  o 111.3910 26.61125 393.9366       171.4592 435.9206       238.1059 348.7194       247.1041 116.3600 33.23938 106.0582 34.58895 10.30180       47.97137 
1 1 1 6   32 7  o 326.3439 9.070360 3141.462       173.4320 3500.032       301.0873 2963.412       212.1657 342.7576 15.01446 316.3982 11.45270 26.35941       18.88381 
1 1 1 6   32 8  o 85.74845 15.04725 224.8785       72.91320 295.9104       214.4433 215.5932       77.53249 98.28675 32.23239 83.64310 16.39170 14.64365       36.16096 
1 1 1 6   32 9  o 76.89445 15.85071 182.5170       69.10458 481.3297       221.4335 150.2746       72.73734 122.0232 30.91183 69.54832 17.76972 52.47487       35.65535 
1 1 1 6   32 10 o 154.2661 10.57113 706.4935       95.06258 267.5534       228.8403 798.0367       104.5064 95.42094 33.28458 163.9326 10.93241 -68.51168      35.03400 
1 1 1 6   32 11 o 229.6657 9.826439 1560.367       132.0498 1126.403       249.6708 1728.906       155.5932 191.2574 22.70092 241.5075 11.01423 -50.25011      25.23182 
1 1 1 6   32 12 o 108.7662 31.16182 382.7779       208.9723 566.9272       239.1735 -211.3835      429.6157 131.8218 31.38928 83.36367 38.32754 48.45815       49.54076 
1 1 1 6   32 13 o 397.3483 12.58315 4691.528       292.8624 4396.461       345.4679 5445.182       552.1190 383.3830 15.39602 422.2238 22.37654 -38.84085      27.16150 
1 1 1 6   32 14 o 282.6315 14.39646 2387.516       237.8449 2341.849       275.8362 2519.891       469.6303 278.8981 16.94373 282.6981 28.72424 -3.800018      33.34924 
1 1 1 6   32 15 o 179.0382 21.60157 988.8698       222.2412 885.9435       256.1787 1301.972       446.8099 167.0304 27.07785 195.2584 40.35265 -28.22803      48.59574 
1 1 1 6   32 16 o 358.7361 12.93236 3833.160       271.6391 4060.726       337.2898 3413.125       458.2397 367.9217 15.66724 332.4801 23.65496 35.44159       28.37287 
1 1 1 6   32 17 o 131.0578 28.46530 558.4280       212.5145 337.4158       248.4603 1160.802       410.1874 103.0424 34.72142 183.9179 39.22593 -80.87545      52.38559 
1 1 1 6   32 18 o 187.9394 21.14650 1092.614       229.0407 1054.679       264.6117 1205.945       457.3654 182.5735 25.39955 183.8703 43.15816 -1.296722      50.07758 
1 1 1 6   32 19 o 105.9202 31.35662 372.3914       208.5316 491.3609       238.6261 -12.05055      428.9588 120.5921 32.85441 90.07571 40.13731 30.51635       51.86922 
1 1 1 6   32 20 o 108.1252 30.23809 391.3261       199.1999 449.9122       227.3190 197.4906       413.4807 115.1312 32.33953 99.38734 41.79462 15.74382       52.84539 
1 1 1 6   32 21 o 156.8965 21.99033 778.9218       196.7983 782.6785       224.1030 766.2621       411.3962 155.4294 25.46576 141.4675 44.47897 13.96188       51.25313 
1 1 1 6   32 22 o 119.3335 26.87782 476.0063       183.5731 605.0801       215.2854 132.1239       351.3990 134.1418 28.25885 88.69591 37.95987 45.44589       47.32351 
1 1 1 6   32 23 o 73.72749 28.33428 145.1888       172.2953 258.5317       198.2464 -204.7158      348.3237 88.75302 30.97847 70.58321 33.13900 18.16982       45.36363 
1 1 1 6   32 24 o 126.1064 26.13743 535.9319       186.9530 735.2376       211.0772 -189.5325      402.7073 148.9814 25.04557 75.83134 35.61223 73.15004       43.53747 
1 1 1 6   32 25 o 52.92713 24.10743 -64.01862      164.7790 -31.91492      179.9711 -230.4504      409.7731 57.65946 25.82382 74.33512 35.21569 -16.67566      43.66938 
1 1 1 6   32 26 o 60.53799 26.18679 24.58308       170.6712 16.68568       187.5257 62.68684       411.9102 62.19690 27.16999 85.69234 38.66450 -23.49545      47.25624 
1 1 1 6   32 27 o 117.3226 28.10453 486.0839       190.8347 410.4404       217.4744 739.3453       397.9300 105.2215 32.21893 129.3602 43.93940 -24.13866      54.48606 
1 1 1 6   32 28 o 73.45737 29.10484 151.2159       186.3417 155.3007       207.4480 134.1505       424.0150 75.40777 30.42621 87.43945 39.36044 -12.03168      49.74935 
1 1 1 6   32 29 o 159.0989 19.85395 823.1728       181.2321 887.1091       202.3153 563.4783       407.7430 163.8277 21.58107 110.8917 43.32010 52.93592       48.39807 
1 1 1 6   32 30 o 65.23174 27.56583 79.54903       181.2862 40.46536       206.7811 209.3757       376.8731 64.77088 28.40650 87.07555 38.26396 -22.30466      47.65564 
1 1 1 6   32 31 o 115.9336 26.57574 483.6108       176.8251 503.3400       194.0579 387.0941       429.2181 116.6062 28.59804 96.84715 41.70823 19.75903       50.57098 
1 1 1 6   32 32 o 48.28811 22.84485 -131.1893      171.3264 -194.4707      186.9251 201.2012       428.4044 47.58662 22.87926 86.25367 39.12357 -38.66705      45.32233 
1 1 1 6   32 33 o 74.10313 29.86466 174.6976       199.6037 164.5368       225.2747 211.8136       430.5540 74.52497 31.05972 85.63823 38.99195 -11.11326      49.85056 
1 1 1 6   32 34 o 59.22606 26.28176 22.54295       181.9965 217.6156       203.3365 -763.2219      408.0970 78.18639 30.57772 56.20235 28.21668 21.98405       41.60743 
1 1 1 6   32 35 o 67.70191 28.58575 117.4096       194.6830 167.0388       223.6128 -38.03099      395.7402 73.67081 30.84189 72.81800 34.52934 0.8528061      46.29792 
1 1 1 6   32 36 o 158.9295 25.19909 911.4338       227.0494 1026.116       269.2867 629.4240       422.2788 163.9272 29.07458 104.8826 43.00140 59.04462       51.90811 
1 1 1 6   32 37 o 76.55432 32.54172 198.3508       255.1541 324.4980       315.3647 -40.72741      434.1544 86.52953 36.45059 73.57517 35.24093 12.95436       50.70078 
1 1 1 6   33 0  o 327.6024 9.966012 3170.643       191.2554 3182.199       214.4551 3125.731       422.7668 327.8891 11.16846 320.3876 22.64550 7.501526       25.24981 
1 1 1 6   33 1  f 126.6216 14.57280 482.7490       106.2474 482.7490       106.2474 0.000000       0.000000 126.6216 14.57280 ?        ?        0.000000       14.57280 
1 1 1 6   33 2  o 281.8028 9.676803 2345.918       159.6919 2331.372       176.6381 2411.001       373.6357 280.6856 10.75021 281.0566 22.86488 -0.3709412     25.26598 
1 1 1 6   33 3  o 158.0450 11.17181 742.1918       102.8838 742.1918       102.8838 0.000000       0.000000 158.0450 11.17181 ?        ?        0.000000       11.17181 
1 1 1 6   33 4  o 273.6492 7.993548 2207.354       128.1500 2252.216       136.3307 1866.841       375.5950 276.3396 8.421842 245.2487 26.53549 31.09094       27.83990 
1 1 1 6   33 5  o 148.2935 10.53444 653.0697       91.02216 651.7104       95.13124 667.7927       313.0853 148.0479 11.03585 141.5855 37.22056 6.462341       38.82216 
1 1 1 6   33 6  o 99.76850 33.44939 305.4757       230.6065 305.4757       230.6065 0.000000       0.000000 99.76850 33.44939 ?        ?        0.000000       33.44939 
1 1 1 6   33 7  o 212.7209 11.35416 1343.213       141.1366 0.000000       0.000000 1343.213       141.1366 ?        ?        212.7209 11.35416 0.000000       11.35416 
1 1 1 6   33 8  o 179.6555 10.15977 956.7988       106.6109 1058.998       238.7188 931.3372       119.1535 185.3685 22.41291 176.9623 11.54390 8.406204       25.21112 
1 1 1 6   33 9  o 87.45200 14.81176 234.0237       73.25856 -194.8276      217.7490 288.7605       77.79342 56.13980 26.30788 97.55407 13.99757 -41.41427      29.79994 
1 1 1 6   33 10 o 205.1593 18.87003 1278.770       224.5045 1359.071       256.3603 1014.554       465.0187 210.6880 21.02781 169.2942 45.75526 41.39381       50.35586 
1 1 1 6   33 11 o 270.4049 9.657090 2163.115       152.9021 1936.008       269.7518 2270.623       185.5973 252.9048 18.31082 276.5580 11.46775 -23.65321      21.60545 
1 1 1 6   33 12 o 218.0681 17.44098 1438.316       221.1980 1471.478       257.8819 1345.990       430.2889 219.4312 20.26773 200.1356 38.04972 19.29559       43.11104 
1 1 1 6   33 13 o 223.7226 17.92916 1517.097       233.2773 1436.397       271.4086 1745.296       456.3989 216.0271 21.71655 230.4359 34.85911 -14.40884      41.07026 
1 1 1 6   33 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   33 15 o 180.2024 21.23216 1004.238       220.0887 1068.782       262.3174 850.7654       404.4964 184.2542 24.91268 154.4837 43.04744 29.77043       49.73655 
1 1 1 6   33 16 f 325.4717 13.70440 3169.941       261.0062 2939.049       304.4898 3809.608       506.8109 311.8515 16.70949 349.0311 24.92291 -37.17960      30.00597 
1 1 1 6   33 17 o 257.7885 15.67544 2006.759       235.8719 2007.767       277.9028 2004.163       446.0651 256.3506 18.61126 247.2982 31.46746 9.052475       36.55927 
1 1 1 6   33 18 o 64.84349 28.36611 -7.766488      205.0314 -45.27367      231.9966 126.0290       438.1725 66.08012 29.47656 96.97079 41.95271 -30.89067      51.27278 
1 1 1 6   33 19 o 76.62066 29.98192 142.3888       195.5790 247.2445       221.8810 -222.8978      414.1340 89.85772 32.62093 78.08204 36.48972 11.77568       48.94512 
1 1 1 6   33 20 o 58.14805 26.25790 -61.03690      190.4269 -137.0881      214.9873 215.9311       410.2744 57.35392 26.63028 97.82141 41.40969 -40.46749      49.23346 
1 1 1 6   33 21 o 184.7399 18.21794 1061.925       194.8174 1057.883       219.5313 1076.906       422.6395 182.7986 20.84966 165.6934 43.09286 17.10521       47.87173 
1 1 1 6   33 22 o 140.1914 22.93497 640.0239       182.0545 680.1506       203.1969 476.7424       409.8915 143.2627 25.09854 112.3950 43.56715 30.86774       50.27954 
1 1 1 6   33 23 o 60.04457 26.31824 3.536748       177.2629 136.9331       197.1242 -560.1702      405.2234 74.39069 29.78278 64.29977 31.53300 10.09091       43.37446 
1 1 1 6   33 24 o 132.2834 24.22478 583.8871       181.0149 578.4487       199.7915 608.8087       427.6918 129.7156 27.13578 119.5342 44.94394 10.18147       52.50056 
1 1 1 6   33 25 o 54.50555 25.08955 -84.93285      184.8636 -51.54130      206.9758 -216.6369      411.0558 59.84861 27.16529 74.04636 35.13491 -14.19775      44.41187 
1 1 1 6   33 26 o 70.52272 28.54121 122.2219       183.1570 12.36717       199.4201 714.5230       463.0532 62.85118 27.71829 122.9686 46.64662 -60.11742      54.26058 
1 1 1 6   33 27 o 68.44597 28.05753 109.8845       179.7359 44.33183       199.5888 391.0913       413.3841 64.79949 28.17253 100.0454 41.91237 -35.24596      50.50088 
1 1 1 6   33 28 o 66.64735 28.69752 66.97861       203.1337 149.8017       229.2736 -235.3775      438.0641 75.68498 31.42129 73.22717 35.15974 2.457809       47.15405 
1 1 1 6   33 29 o 121.8353 27.29064 534.7471       190.1490 672.6492       211.0453 -60.00213      438.2857 137.1960 27.19046 78.17684 36.84960 59.01917       45.79535 
1 1 1 6   33 30 o 90.71919 29.76050 311.2357       182.8070 387.5785       200.6953 -60.65639      442.9571 99.87740 31.01638 77.48264 36.67932 22.39477       48.03529 
1 1 1 6   33 31 o 45.41439 22.20140 -279.7826      196.1500 -252.5535      216.6604 -403.5161      461.8555 49.41431 23.96988 68.33939 33.54467 -18.92507      41.22863 
1 1 1 6   33 32 o 51.47479 24.55445 -163.9328      206.1996 -179.2706      229.7605 -100.4436      467.4594 53.85357 25.75210 75.82856 36.38559 -21.97499      44.57669 
1 1 1 6   33 33 o 77.17318 29.88440 211.5294       192.7139 267.8745       213.8965 -31.42525      444.1586 83.43380 31.69091 76.28995 36.29194 7.143852       48.18111 
1 1 1 6   33 34 o 70.97725 29.59419 148.6591       204.6493 122.8897       227.2018 259.4735       471.1485 70.26400 30.30319 86.34325 39.85578 -16.07925      50.06762 
1 1 1 6   33 35 f 62.06227 28.92741 -49.28495      257.5211 -143.4009      296.9534 236.1815       517.1711 61.56391 29.39459 85.79892 40.31340 -24.23501      49.89200 
1 1 1 6   33 36 f 57.90675 27.76554 -165.5968      271.0877 -51.53916      322.2949 -441.4501      501.2223 66.69734 31.48758 67.14319 33.32053 -0.4458466     45.84458 
1 1 1 6   34 0  o 225.2596 10.97754 1505.292       144.5870 1559.345       156.5903 1192.721       376.5588 229.1015 11.69298 190.6003 34.97522 38.50124       36.87807 
1 1 1 6   34 1  o 99.46353 18.68947 306.9200       105.0196 306.9200       105.0196 0.000000       0.000000 99.46353 18.68947 ?        ?        0.000000       18.68947 
1 1 1 6   34 2  o 316.2494 12.72377 2974.369       235.5096 2892.678       286.2162 3145.640       414.4284 310.7124 15.75815 320.7662 22.16611 -10.05383      27.19661 
1 1 1 6   34 3  o 343.9813 12.60969 3517.505       253.9534 3697.313       332.4644 3265.635       393.4870 351.1427 16.18754 327.7314 20.57591 23.41129       26.18023 
1 1 1 6   34 4  o 366.9008 15.64552 4030.876       335.8853 4030.876       335.8853 0.000000       0.000000 366.9008 15.64552 ?        ?        0.000000       15.64552 
1 1 1 6   34 5  o 241.6125 9.073757 1725.508       128.3467 1736.826       138.1719 1654.312       346.5540 242.2578 9.744926 230.0654 26.14771 12.19241       27.90459 
1 1 1 6   34 6  o 338.1835 14.80493 3419.719       292.9243 3419.719       292.9243 0.000000       0.000000 338.1835 14.80493 ?        ?        0.000000       14.80493 
1 1 1 6   34 7  o 229.3918 9.567649 1557.363       128.4337 1536.203       238.7242 1565.982       152.3632 225.1297 18.23661 229.5986 11.35034 -4.468933      21.48032 
1 1 1 6   34 8  o 365.5253 10.40685 3956.748       222.8665 4072.341       325.5636 3854.809       305.7320 368.8534 15.08164 359.1057 14.54681 9.747772       20.95389 
1 1 1 6   34 9  o 241.4136 11.35766 1731.580       160.3547 0.000000       0.000000 1731.580       160.3547 ?        ?        241.4136 11.35766 0.000000       11.35766 
1 1 1 6   34 10 f 85.50008 31.78162 196.3358       212.6273 450.6400       243.6252 -616.5960      435.5845 116.5512 33.72525 69.76526 33.87551 46.78593       47.80108 
1 1 1 6   34 11 o 80.17992 31.88623 133.7874       224.4474 225.3992       261.5367 -122.2542      437.2323 92.20439 35.03802 86.91251 39.46279 5.291885       52.77286 
1 1 1 6   34 12 o 190.5647 9.767676 1077.184       108.8010 666.9010       272.1354 1155.243       118.7006 141.1083 33.40496 197.2426 10.29694 -56.13431      34.95595 
1 1 1 6   34 13 o 355.3691 9.734793 3740.684       202.6971 4241.471       360.4807 3509.136       245.1184 375.0091 16.43028 343.2056 12.19725 31.80353       20.46282 
1 1 1 6   34 14 o 202.2409 19.91647 1259.478       233.1663 1261.766       272.2177 1253.177       451.8069 200.5483 23.59543 187.4266 42.13042 13.12169       48.28785 
1 1 1 6   34 15 o 176.0357 21.82758 968.7431       220.5250 1247.028       257.4747 202.5003       427.2411 199.7089 22.36676 100.9684 42.47342 98.74053       48.00274 
1 1 1 6   34 16 o 166.4557 22.14376 872.5639       210.8150 785.7331       238.0203 1188.600       454.0938 155.2459 27.12926 178.9211 43.66507 -23.67516      51.40656 
1 1 1 6   34 17 o 53.60204 24.82190 -120.9669      184.9050 -202.4931      208.1437 184.1988       402.7008 53.08425 25.13353 96.37004 40.92020 -43.28579      48.02246 
1 1 1 6   34 18 o 108.1670 29.66977 400.3838       193.8460 342.3930       214.7208 655.8805       450.7000 100.0991 32.21103 129.0074 46.53910 -28.90838      56.59893 
1 1 1 6   34 19 f 70.48523 29.24294 86.14616       198.3985 -82.42512      217.7145 911.6703       481.7930 60.54832 27.62940 146.3259 48.32932 -85.77762      55.66962 
1 1 1 6   34 20 o 130.3784 25.59097 567.9993       188.6890 594.6335       208.5731 447.9530       442.8059 132.0775 27.80714 110.8513 44.54907 21.22616       52.51530 
1 1 1 6   34 21 o 92.80634 30.23657 298.2691       188.8538 391.2695       210.2187 -90.76111      429.9527 104.5902 31.60677 81.45894 37.76648 23.13130       49.24729 
1 1 1 6   34 22 o 82.33199 29.31059 221.8424       178.1366 232.2433       195.4775 170.8991       432.6165 84.25496 30.61397 92.46767 40.80070 -8.212708      51.00895 
1 1 1 6   34 23 o 49.06967 23.44721 -199.8148      189.7234 -146.0999      208.5863 -457.1551      456.5542 54.70170 25.67044 70.84605 34.46455 -16.14436      42.97414 
1 1 1 6   34 24 o 63.40527 27.38085 39.42015       185.9674 65.05631       205.2787 -77.92489      439.1873 67.75262 29.00530 80.54791 37.62080 -12.79529      47.50402 
1 1 1 6   34 25 o 71.20569 28.33367 136.8398       177.3197 204.5928       192.5320 -241.7932      455.1431 79.54480 30.10041 75.27238 36.06155 4.272415       46.97308 
1 1 1 6   34 26 o 51.23299 24.25173 -153.9193      193.5937 -254.1135      212.6566 330.9695       467.8198 49.55291 23.96778 96.97335 42.62188 -47.42044      48.89867 
1 1 1 6   34 27 o 94.17614 31.28456 335.3971       201.8015 278.9136       227.6906 542.2674       435.7459 87.47867 32.81358 107.6879 43.86020 -20.20924      54.77635 
1 1 1 6   34 28 o 133.5192 26.65577 635.7018       201.4159 841.1990       223.3569 -258.7988      466.0009 155.2514 25.40904 73.44234 35.51226 81.80910       43.66624 
1 1 1 6   34 29 o 57.60553 26.04648 -19.51095      188.0834 116.9895       210.2490 -566.4137      420.8448 70.26636 29.68947 61.96344 30.71204 8.302917       42.71644 
1 1 1 6   34 30 o 100.9580 32.61241 414.7919       219.9670 491.6877       247.7699 128.6859       477.9261 107.9147 34.58920 84.30756 39.33320 23.60711       52.37856 
1 1 1 6   34 31 o 60.17097 26.77997 21.51085       190.3746 134.0326       207.4831 -577.6094      478.7641 70.63619 29.64913 64.98539 32.30307 5.650803       43.84700 
1 1 1 6   34 32 o 181.3741 20.08239 1100.285       210.0450 1274.296       232.0222 310.0771       494.4385 194.6230 20.64190 89.57962 41.16052 105.0434       46.04646 
1 1 1 6   34 33 o 77.00394 30.65008 213.5892       207.5591 298.4736       236.0455 -75.79644      435.8332 85.49258 33.08264 73.35868 35.18274 12.13390       48.29375 
1 1 1 6   34 34 o 94.06010 35.01794 394.9924       258.3271 584.8674       308.2456 -53.02091      473.4875 109.0526 38.58285 75.50012 36.32895 33.55252       52.99461 
1 1 1 6   34 35 o 61.82754 28.97545 -55.79993      264.2323 -196.5788      329.1240 199.4733       443.1935 61.82290 29.88181 81.71223 38.04023 -19.88934      48.37336 
1 1 1 6   35 0  o 281.7184 10.34657 2351.901       170.6568 2460.399       187.8370 1838.850       408.4605 287.9118 11.14531 240.0760 29.63887 47.83582       31.66513 
1 1 1 6   35 1  o 250.4896 15.58419 1885.327       227.8074 1707.853       267.5849 2352.721       434.2464 236.7743 19.44084 273.3773 27.45598 -36.60298      33.64189 
1 1 1 6   35 2  o 221.5096 9.186342 1451.782       119.0809 1418.132       124.3359 1824.820       413.9789 218.8075 9.713316 238.7313 30.24556 -19.92384      31.76701 
1 1 1 6   35 3  o 297.7336 13.77945 2647.825       239.9556 2739.172       288.5919 2443.222       431.9096 301.7118 16.37085 279.0553 26.71665 22.65649       31.33343 
1 1 1 6   35 4  o 255.8936 9.890232 1939.504       148.1487 1958.125       159.0423 1817.377       407.3058 256.9374 10.57705 238.4234 29.77601 18.51401       31.59881 
1 1 1 6   35 5  o 32.64222 15.47246 -92.69887      79.31081 -79.28886      81.69484 -312.4549      330.7125 34.42532 16.12635 67.08466 31.73806 -32.65934      35.60006 
1 1 1 6   35 6  o 71.62666 29.88567 59.90121       208.9128 59.90121       208.9128 0.000000       0.000000 71.62666 29.88567 ?        ?        0.000000       29.88567 
1 1 1 6   35 7  o 140.0343 12.20389 587.1328       99.22648 762.1173       231.5749 547.7805       109.8186 154.5155 26.50862 134.7527 14.10465 19.76283       30.02745 
1 1 1 6   35 8  o 123.0426 13.26440 456.2808       94.20737 716.3844       234.6530 406.3007       102.8611 148.9552 27.88548 115.4192 15.59436 33.53605       31.94971 
1 1 1 6   35 9  o 125.9470 12.69148 477.0380       92.46853 1003.520       253.0146 395.8774       99.34048 178.2632 24.87768 113.9587 15.24589 64.30452       29.17766 
1 1 1 6   35 10 o 306.9607 9.502550 2791.072       170.8638 2949.429       311.2961 2722.794       204.4065 312.1150 17.07125 302.4569 11.54460 9.658142       20.60838 
1 1 1 6   35 11 o 43.59744 17.82713 23.44221       72.33446 0.000000       0.000000 23.44221       72.33446 ?        ?        43.59744 17.82713 0.000000       17.82713 
1 1 1 6   35 12 f 131.6890 24.62413 557.1071       183.1884 718.4990       275.6294 429.4123       245.1721 145.5423 33.04828 112.4687 34.16417 33.07354       47.53293 
1 1 1 6   35 13 o 146.5674 10.88386 642.1792       92.88811 159.0666       254.2984 716.5624       99.78305 84.08735 33.77155 154.8181 11.06257 -70.73071      35.53727 
1 1 1 6   35 14 o 91.62679 31.92682 267.2528       210.5201 412.9342       241.1948 -198.7051      431.3593 109.4744 34.00305 80.66116 37.54351 28.81323       50.65296 
1 1 1 6   35 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   35 16 o 247.1781 14.81709 1856.946       213.8086 1940.155       242.9296 1570.958       450.3692 251.5860 16.55633 208.0380 38.32438 43.54802       41.74769 
1 1 1 6   35 17 o 166.8682 20.77396 884.3167       198.9128 774.8469       224.6745 1281.237       427.8171 152.8766 25.98816 183.4584 40.81523 -30.58176      48.38665 
1 1 1 6   35 18 o 133.1963 25.11179 590.4575       188.9720 604.7233       208.1491 523.5637       450.7326 133.2924 27.53831 115.7018 45.44364 17.59067       53.13646 
1 1 1 6   35 19 o 66.23877 27.84815 66.24541       183.5024 126.4339       198.2678 -293.2969      484.5855 73.47057 29.70929 78.64422 37.54984 -5.173653      47.88145 
1 1 1 6   35 20 o 298.2593 13.08855 2699.986       228.3901 2773.631       254.8729 2399.824       514.5496 301.1801 14.47170 256.2410 35.16618 44.93909       38.02750 
1 1 1 6   35 21 o 115.1182 29.15175 470.5516       196.9870 528.8401       217.8512 209.2285       461.2721 121.1422 30.64552 94.99436 42.01319 26.14783       52.00246 
1 1 1 6   35 22 o 200.8132 17.11486 1263.835       199.6464 1298.236       221.8635 1117.413       457.7204 202.1154 18.93753 157.2430 46.43199 44.87238       50.14539 
1 1 1 6   35 23 o 120.6174 26.48557 508.0867       182.2158 405.4258       200.4763 995.8569       436.9866 104.7568 30.67446 146.6268 45.80408 -41.87008      55.12654 
1 1 1 6   35 24 o 91.32173 30.25566 305.9848       188.7782 406.1946       209.1984 -133.4502      438.0773 103.5288 31.58051 76.84297 36.40607 26.68579       48.19472 
1 1 1 6   35 25 o 228.4053 15.77856 1633.129       210.0616 1653.683       233.8682 1547.314       477.8727 228.0877 17.61962 185.5457 44.49073 42.54205       47.85264 
1 1 1 6   35 26 o 72.01236 29.12651 145.0594       190.6162 307.6306       211.4737 -559.2722      440.1729 90.19599 31.95322 64.39561 31.82565 25.80038       45.09856 
1 1 1 6   35 27 f 74.71593 29.95895 171.3808       199.7802 219.3691       218.8478 -68.56644      489.3646 80.25993 31.62212 79.71084 37.96861 0.5490875      49.41228 
1 1 1 6   35 28 f 150.0429 26.34083 806.2902       223.3389 731.6862       253.9302 1061.167       469.3517 136.4390 32.24748 137.9965 47.69413 -1.557556      57.57283 
1 1 1 6   35 29 o 127.3500 28.79994 612.1812       210.0421 827.0008       241.5859 -53.07740      425.1381 148.8036 28.72299 75.16069 35.68336 73.64291       45.80733 
1 1 1 6   35 30 o 47.93264 23.14297 -208.8578      196.1059 -141.0220      215.8668 -529.3105      469.1790 53.67792 25.46756 65.12847 32.30638 -11.45055      41.13756 
1 1 1 6   35 31 o 71.22616 28.99830 158.1969       190.3853 96.13232       210.1857 441.8294       449.3239 67.17948 29.06012 94.56638 41.65976 -27.38690      50.79396 
1 1 1 6   35 32 o 72.79612 31.29696 149.2615       240.8929 151.4886       278.9065 142.7212       477.9644 74.85468 32.90461 81.84819 38.54976 -6.993515      50.68330 
1 1 1 6   35 33 o 116.4870 34.60609 596.9920       253.6329 452.2756       314.4847 866.2799       428.9919 96.53872 37.94626 120.0906 45.04194 -23.55192      58.89563 
1 1 1 6   36 0  o 94.28069 19.86255 280.0990       106.3544 268.9409       110.5218 419.7456       390.9913 92.08332 20.94013 115.2790 43.04900 -23.19564      47.87177 
1 1 1 6   36 1  o 124.7804 15.25716 473.5198       109.3333 456.2298       114.2388 661.9710       377.1515 122.1251 16.36114 136.5176 42.53849 -14.39249      45.57642 
1 1 1 6   36 2  o 201.4288 18.55221 1239.915       216.7028 1253.332       258.4683 1208.167       397.5923 200.7473 22.33118 188.0115 37.37481 12.73589       43.53801 
1 1 1 6   36 3  o 335.6533 22.66623 3488.188       443.5744 0.000000       0.000000 3488.188       443.5744 ?        ?        335.6533 22.66623 0.000000       22.66623 
1 1 1 6   36 4  o 363.4336 11.81179 3932.503       251.4282 3671.514       295.8184 4611.676       477.2045 349.8443 14.44892 387.3511 21.08579 -37.50681      25.56134 
1 1 1 6   36 5  o 265.8411 9.601274 2094.933       149.4472 2035.817       164.3594 2377.085       359.0707 261.7069 10.73127 276.8641 22.30233 -15.15720      24.74983 
1 1 1 6   36 6  o 84.97569 32.42751 189.6999       224.6108 189.6999       224.6108 0.000000       0.000000 84.97569 32.42751 ?        ?        0.000000       32.42751 
1 1 1 6   36 7  o 97.75704 34.02726 302.5836       239.0978 302.5836       239.0978 0.000000       0.000000 97.75704 34.02726 ?        ?        0.000000       34.02726 
1 1 1 6   36 8  o 74.82085 30.21737 108.9802       204.8198 311.9075       249.2913 -312.5609      359.2998 98.97461 34.72467 69.63519 32.98515 29.33942       47.89387 
1 1 1 6   36 9  o 57.03013 26.95438 -222.9328      237.4225 -222.9328      237.4225 0.000000       0.000000 57.03013 26.95438 ?        ?        0.000000       26.95438 
1 1 1 6   36 10 o 149.7264 25.30713 724.6064       214.3134 755.2552       251.8109 644.0669       408.1987 150.5142 29.58166 131.2608 44.50365 19.25337       53.43828 
1 1 1 6   36 11 o 231.7230 33.83415 1834.050       446.2488 0.000000       0.000000 1834.050       446.2488 ?        ?        231.7230 33.83415 0.000000       33.83415 
1 1 1 6   36 12 o 81.83936 14.84109 208.2197       68.61017 219.0257       244.2475 207.2939       71.48860 87.67200 33.72480 81.45629 15.53119 6.215706       37.12923 
1 1 1 6   36 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   36 14 o 101.8668 30.81479 360.6635       199.7446 265.7534       232.6640 626.6846       389.5211 90.84917 33.33828 125.8488 43.45129 -34.99963      54.76729 
1 1 1 6   36 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   36 16 o 181.6530 18.66092 1036.578       195.9805 1125.466       216.3994 631.1305       462.1718 188.5292 19.87010 122.5031 46.57132 66.02603       50.63308 
1 1 1 6   36 17 o 143.1056 24.24237 679.0267       196.2056 581.7189       214.0775 1189.905       490.5190 129.0867 28.98843 164.1313 47.95955 -35.04465      56.03970 
1 1 1 6   36 18 o 117.9503 26.70256 478.9346       180.4006 349.9469       196.9652 1150.488       449.4232 98.92381 30.72786 163.9019 45.26314 -64.97813      54.70789 
1 1 1 6   36 19 o 77.62673 29.23685 184.5282       181.1575 249.3371       198.6686 -135.2485      441.3015 85.96204 30.91298 79.34788 37.26872 6.614159       48.42076 
1 1 1 6   36 20 o 60.86827 26.55246 19.90135       178.5587 56.08500       191.5458 -220.1147      493.3289 65.49399 28.02787 79.55578 37.95802 -14.06179      47.18445 
1 1 1 6   36 21 o 186.0361 18.06857 1098.234       194.6585 1170.880       211.8952 705.4178       492.7307 191.2625 19.14755 120.3398 47.43788 70.92271       51.15644 
1 1 1 6   36 22 o 108.0475 30.14585 433.8712       198.2345 523.5573       217.0428 -17.35685      486.8338 118.2943 30.93834 83.74325 39.27312 34.55103       49.99559 
1 1 1 6   36 23 o 58.34180 26.04195 -6.873655      181.3962 -45.19400      199.7408 173.4682       433.3115 58.18353 26.51722 87.99127 39.68314 -29.80775      47.72750 
1 1 1 6   36 24 o 50.42860 23.49916 -96.62670      169.7749 -192.1615      185.7815 387.2109       418.0917 47.90765 22.97489 97.70665 41.59878 -49.79900      47.52162 
1 1 1 6   36 25 o 65.81376 28.30215 72.50652       197.0903 4.011605       224.0604 306.7502       414.3524 63.68733 28.64518 92.26085 40.34330 -28.57352      49.47857 
1 1 1 6   36 26 o 149.0293 25.54928 785.4586       215.2734 924.3833       240.4436 224.1802       483.2953 161.0011 26.37700 88.89328 40.78938 72.10785       48.57488 
1 1 1 6   36 27 o 92.31406 31.13337 336.0721       199.7621 356.5236       220.9660 244.5902       467.3370 93.87283 32.70934 88.32181 40.37044 5.551025       51.95838 
1 1 1 6   36 28 o 49.01093 23.62617 -205.7365      202.4345 -141.6916      223.8947 -492.5985      473.8470 54.70676 25.95019 66.29469 32.81066 -11.58793      41.83242 
1 1 1 6   36 29 f 81.82614 30.87671 254.6939       202.2630 279.1473       228.7335 167.0064       433.1401 84.41836 32.59326 82.72662 38.19633 1.691734       50.21235 
1 1 1 6   36 30 o 171.9109 25.74575 1071.318       251.5957 1139.031       292.4457 878.4507       493.5558 171.5434 30.16928 116.1323 46.90513 55.41101       55.76986 
1 1 1 6   36 31 o 71.42535 31.15384 128.5649       245.7411 76.83540       294.6180 246.8439       445.4962 71.21060 32.35708 84.60029 38.94463 -13.38969      50.63265 
1 1 1 6   36 32 o 82.48703 32.79961 274.1734       237.4614 238.7897       276.3251 374.0957       464.3547 80.09424 33.94822 89.43268 40.63119 -9.338440      52.94691 
1 1 1 6   37 0  o 249.5626 15.69521 1886.907       228.5558 2127.180       283.0894 1437.068       387.3461 263.4575 18.43796 206.6614 33.07350 56.79602       37.86574 
1 1 1 6   37 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   37 2  o 100.6635 17.55643 316.1493       99.88047 347.6189       103.6144 -97.02611      375.4408 105.7494 17.30470 79.98177 36.41435 25.76767       40.31696 
1 1 1 6   37 3  o 65.83144 21.25802 132.2258       93.46775 103.1815       96.19043 623.6034       395.6483 60.83228 21.55029 129.8418 43.81516 -69.00951      48.82810 
1 1 1 6   37 4  o 174.9920 10.48472 913.5335       107.1098 913.5335       107.1098 0.000000       0.000000 174.9920 10.48472 ?        ?        0.000000       10.48472 
1 1 1 6   37 5  o 297.8196 15.14005 2684.510       263.5749 2684.510       263.5749 0.000000       0.000000 297.8196 15.14005 ?        ?        0.000000       15.14005 
1 1 1 6   37 6  o 117.6078 31.46836 475.5490       221.3042 475.5490       221.3042 0.000000       0.000000 117.6078 31.46836 ?        ?        0.000000       31.46836 
1 1 1 6   37 7  o 134.5802 12.73313 547.5754       99.30509 533.0419       223.5506 551.1483       110.8416 124.6378 30.77016 134.5142 14.26757 -9.876381      33.91705 
1 1 1 6   37 8  f 135.8098 12.11228 556.4226       95.46207 476.3459       235.8273 572.1154       104.3978 116.4560 33.01841 137.4005 13.11436 -20.94453      35.52748 
1 1 1 6   37 9  o 147.7893 11.41621 656.6877       98.18337 969.7929       249.8870 599.5263       106.7702 172.3138 25.49559 140.6202 13.09708 31.69360       28.66284 
1 1 1 6   37 10 o 126.9251 28.77580 550.4354       209.2459 678.7076       246.7571 222.1000       394.7864 139.8918 30.90193 96.10526 40.64893 43.78658       51.06139 
1 1 1 6   37 11 o 224.3892 9.749621 1502.445       127.9978 1425.661       261.3510 1526.674       146.8100 211.8165 21.32855 225.6068 11.13001 -13.79033      24.05793 
1 1 1 6   37 12 o 234.3983 8.938484 1635.705       122.6514 1060.460       249.8883 1818.268       140.7750 180.0795 24.27886 246.8048 9.744864 -66.72533      26.16153 
1 1 1 6   37 13 o 235.7188 15.46951 1705.865       212.6741 1407.678       241.0243 2754.423       451.9737 211.1207 19.69330 287.2051 27.15554 -76.08446      33.54474 
1 1 1 6   37 14 o 248.5084 14.83924 1891.526       215.2885 2049.941       254.3785 1491.598       404.1788 257.0790 16.96673 201.8766 35.42956 55.20242       39.28261 
1 1 1 6   37 15 o 219.9742 17.91196 1515.775       229.0833 1515.775       229.0833 0.000000       0.000000 219.9742 17.91196 ?        ?        0.000000       17.91196 
1 1 1 6   37 16 o 174.9476 20.45775 982.7568       205.9433 698.0016       232.1173 2036.085       446.4302 141.0854 29.02184 238.0425 32.85283 -96.95712      43.83578 
1 1 1 6   37 17 o 61.92728 27.17813 12.89741       189.5788 -93.76196      209.3413 499.1399       446.9735 57.54889 26.56526 110.1354 44.58144 -52.58654      51.89622 
1 1 1 6   37 18 o 209.1312 16.44342 1365.459       200.0583 1314.359       221.6260 1590.336       464.9236 203.2946 18.80144 197.3338 41.49117 5.960876       45.55229 
1 1 1 6   37 19 o 75.61874 29.33019 172.0388       185.8607 78.16353       206.6981 568.4805       424.7669 68.50861 29.21101 112.5149 44.13822 -44.00625      52.92887 
1 1 1 6   37 20 o 228.0193 16.52491 1633.834       219.4848 1723.264       247.3045 1302.080       476.3203 232.4887 18.28465 165.6983 46.90702 66.79036       50.34478 
1 1 1 6   37 21 o 109.3708 28.30437 436.8684       182.9382 469.8941       197.3534 235.2521       487.6195 112.5538 29.53311 92.50634 41.87189 20.04749       51.23924 
1 1 1 6   37 22 o 58.89331 26.35881 -6.714185      187.1678 27.42697       201.8392 -216.2767      500.0612 63.14305 27.86482 77.09203 37.15546 -13.94897      46.44326 
1 1 1 6   37 23 o 70.15829 29.62751 111.7282       209.1842 142.5709       229.7411 -37.84787      505.9335 74.22893 31.18068 81.85102 38.87899 -7.622093      49.83784 
1 1 1 6   37 24 o 80.00708 30.71243 225.0234       202.2717 215.6802       232.5173 254.0922       410.1284 80.06866 32.24563 88.40910 39.32968 -8.340439      50.85867 
1 1 1 6   37 25 o 64.24706 27.76121 68.65748       191.3990 -24.88741      217.7462 386.5552       401.4065 60.52061 27.62237 94.44777 40.49937 -33.92715      49.02238 
1 1 1 6   37 26 o 70.43501 29.05300 141.4969       194.2803 4.765307       212.1339 852.7615       483.8282 61.40717 27.72331 118.6646 46.93563 -57.25742      54.51179 
1 1 1 6   37 27 o 77.48537 31.02591 209.2293       213.9530 235.3450       236.2242 89.99211       504.7537 80.49843 32.47234 82.46424 39.07200 -1.965813      50.80427 
1 1 1 6   37 28 o 67.87296 29.41171 100.0490       216.0647 145.3968       242.3094 -75.93049      477.3348 72.95497 31.37736 75.69741 36.43722 -2.742439      48.08544 
1 1 1 6   37 29 o 81.18797 32.20774 255.8281       228.4581 135.6534       259.2800 673.0616       483.1168 72.73577 31.85669 104.2321 44.55669 -31.49635      54.77360 
1 1 1 6   37 30 o 76.46302 31.91262 201.6204       238.3112 266.6581       277.4613 18.69965       465.3197 82.43066 34.42112 77.00893 36.77641 5.421738       50.37179 
1 1 1 6   37 31 o 57.19658 26.76892 -69.82521      224.2419 -108.5704      266.6432 23.77817       414.4457 59.63742 28.29788 74.33127 35.27282 -14.69384      45.22104 
1 1 1 6   38 0  o 217.8789 9.165314 1412.386       116.8535 1435.551       123.0012 1197.873       374.3013 219.5167 9.577182 182.7878 36.19688 36.72890       37.44244 
1 1 1 6   38 1  o 278.7387 15.68848 2371.299       255.4301 2371.299       255.4301 0.000000       0.000000 278.7387 15.68848 ?        ?        0.000000       15.68848 
1 1 1 6   38 2  o 92.02222 18.32011 269.2183       95.39465 273.9701       98.55110 198.5822       379.9667 92.69024 18.77349 94.02582 39.82906 -1.335579      44.03178 
1 1 1 6   38 3  f 56.59929 20.94907 83.70634       92.20287 34.80994       95.47637 760.3154       355.1619 49.80284 20.43613 140.5642 40.73375 -90.76132      45.57273 
1 1 1 6   38 4  o 91.69508 16.72366 264.5667       86.62215 256.0003       89.84265 377.6699       326.4534 89.83470 17.68234 104.3857 39.26217 -14.55098      43.06023 
1 1 1 6   38 5  f 99.66170 31.51855 345.6759       206.2951 345.6759       206.2951 0.000000       0.000000 99.66170 31.51855 ?        ?        0.000000       31.51855 
1 1 1 6   38 6  o 100.0132 17.15549 315.1208       97.00506 120.8510       212.9920 365.9633       108.9618 74.88596 30.60235 107.6515 17.88592 -32.76549      35.44587 
1 1 1 6   38 7  o 158.2544 12.02959 756.6951       110.8131 924.1055       236.4521 709.5779       125.4416 167.6352 24.79788 152.3396 14.20406 15.29561       28.57779 
1 1 1 6   38 8  o 89.85242 17.83487 257.5349       90.66630 440.3101       227.3291 222.9618       98.87019 110.4696 32.74854 82.64007 20.49936 27.82950       38.63536 
1 1 1 6   38 9  o 149.1064 24.48300 735.2025       206.6731 886.2426       249.3046 403.3183       369.5535 161.9372 27.21452 105.5305 41.23694 56.40674       49.40765 
1 1 1 6   38 10 o 99.50649 16.03154 310.7262       90.37894 312.6719       227.9156 310.3631       98.45040 94.60747 33.20178 98.80320 17.63725 -4.195732      37.59563 
1 1 1 6   38 11 o 199.3980 9.959396 1190.924       116.0987 1060.082       244.1771 1229.144       131.9706 179.5881 23.76621 202.0318 11.18160 -22.44365      26.26521 
1 1 1 6   38 12 o 95.06658 27.44472 314.5757       161.5086 32.63071       224.6704 616.0927       232.3377 67.97732 29.71629 131.1552 30.74371 -63.17793      42.75785 
1 1 1 6   38 13 o 144.5600 11.12506 631.6193       93.59436 920.9187       230.8852 574.7317       102.3838 166.3194 24.39505 137.1628 12.87818 29.15652       27.58561 
1 1 1 6   38 14 o 132.3797 25.82767 598.3135       193.3174 585.5546       218.4300 644.4276       415.2618 128.0833 29.66259 121.0175 44.51707 7.065804       53.49429 
1 1 1 6   38 15 o 71.39000 28.40845 133.8602       178.2658 139.6540       199.8631 111.3148       394.2586 73.78499 29.83140 85.65637 38.30247 -11.87138      48.54886 
1 1 1 6   38 16 f 119.2871 28.05466 506.3676       192.9541 468.9254       221.6451 623.5588       392.1256 111.6813 32.12294 118.1750 43.29438 -6.493645      53.90999 
1 1 1 6   38 17 o 127.2187 27.64122 575.0941       200.3250 669.4482       227.9754 255.3655       419.6607 135.9753 29.44201 92.59236 40.54182 43.38298       50.10461 
1 1 1 6   38 18 o 118.8659 44.41251 679.7317       416.2648 0.000000       0.000000 679.7317       416.2648 ?        ?        118.8659 44.41251 0.000000       44.41251 
1 1 1 6   38 19 o 68.84239 28.34620 114.6079       184.5121 -23.75924      206.5237 661.8936       410.7338 60.33178 27.28493 116.9534 44.02880 -56.62163      51.79771 
1 1 1 6   38 20 o 77.76032 30.53649 194.9174       203.4929 234.1527       232.0112 64.10171       423.6433 82.72722 32.56996 81.93784 37.81185 0.7893753      49.90529 
1 1 1 6   38 21 o 63.74601 28.32453 24.79935       212.0816 57.05206       246.6336 -66.72892      415.4768 69.26122 30.67216 75.91869 35.81353 -6.657463      47.15284 
1 1 1 6   38 22 o 71.70935 29.35800 145.2609       196.4697 223.9063       220.4240 -158.7269      433.3614 80.38892 31.71638 73.30621 35.13779 7.082710       47.33490 
1 1 1 6   38 23 o 54.17131 25.20716 -83.44040      194.2504 -44.89749      216.0054 -246.3898      444.1389 59.12831 27.18212 70.89286 34.37231 -11.76455      43.82150 
1 1 1 6   38 24 o 158.9769 25.79622 905.6484       232.2778 988.7228       268.4164 657.9414       463.4945 162.1121 29.31070 107.8839 44.72220 54.22820       53.47142 
1 1 1 6   38 25 o 102.0368 32.62094 432.3146       220.4805 487.7274       249.6150 235.6362       470.2663 106.0514 34.77517 86.61761 39.92360 19.43376       52.94532 
1 1 1 6   38 26 o 115.3417 30.67173 530.6286       211.0527 502.6032       234.8632 648.2029       481.0559 108.7460 33.51611 104.7312 44.60648 4.014832       55.79487 
1 1 1 6   38 27 o 149.2472 25.85393 813.3392       218.1054 1042.195       247.8065 26.62179       459.4529 169.3048 25.76885 77.41492 36.85101 91.88990       44.96699 
1 1 1 6   38 28 o 50.90910 24.42171 -173.0357      210.2745 -163.2404      246.8233 -198.9601      401.5426 55.66689 26.63864 67.29665 32.64134 -11.62976      42.13163 
1 1 1 6   38 29 o 50.06087 24.59729 -326.7128      250.3206 -302.4634      299.8138 -382.5188      454.8219 56.05320 27.41206 65.76476 32.47425 -9.711567      42.49704 
1 1 1 6   39 0  o 267.9509 10.45044 2151.054       163.9105 2086.412       175.7707 2582.138       453.9109 263.3537 11.40743 275.9342 28.45647 -12.58044      30.65779 
1 1 1 6   39 1  o 194.0461 11.72135 1136.086       132.7711 1143.700       140.8512 1075.379       397.7221 194.3639 12.42148 164.5343 41.28821 29.82959       43.11623 
1 1 1 6   39 2  o 63.16794 21.24336 122.7610       93.00718 97.46135       95.61319 567.9896       401.0992 58.95768 21.41235 117.8805 43.68216 -58.92283      48.64792 
1 1 1 6   39 3  o 123.2653 13.40603 465.3866       95.35583 471.2550       98.79376 385.4432       364.6362 123.8804 13.83390 103.5466 40.81141 20.33386       43.09232 
1 1 1 6   39 4  o 76.01091 20.48631 189.2168       93.37803 189.2168       93.37803 0.000000       0.000000 76.01091 20.48631 ?        ?        0.000000       20.48631 
1 1 1 6   39 5  o 49.39718 23.73895 -234.7795      200.7105 -234.7795      200.7105 0.000000       0.000000 49.39718 23.73895 ?        ?        0.000000       23.73895 
1 1 1 6   39 6  o 137.4524 12.87362 576.3925       102.5701 386.1248       217.0287 631.1133       116.3888 103.0691 32.29184 143.3759 14.02053 -40.30688      35.20424 
1 1 1 6   39 7  o 102.0427 16.32484 328.1116       94.40546 542.4095       221.7269 280.6611       104.3351 122.7357 30.84414 92.79714 19.77622 29.93854       36.63960 
1 1 1 6   39 8  o 143.9389 12.78199 631.9693       106.7806 654.2076       240.1567 626.4896       119.2127 134.8695 31.01063 142.5512 14.45920 -7.681717      34.21589 
1 1 1 6   39 9  o 186.3787 11.99036 1052.602       130.3673 0.000000       0.000000 1052.602       130.3673 ?        ?        186.3787 11.99036 0.000000       11.99036 
1 1 1 6   39 10 o 231.0815 10.73522 1606.772       145.0903 1475.453       252.3393 1671.629       177.3358 214.5497 20.29550 234.3621 12.95242 -19.81235      24.07639 
1 1 1 6   39 11 o 164.5483 10.61436 816.2914       101.8861 899.5158       234.0837 796.8398       113.1682 163.1667 25.27884 161.9566 11.99972 1.210068       27.98237 
1 1 1 6   39 12 o 141.6702 19.91404 649.2099       160.8971 519.3201       217.7367 805.4531       238.8056 118.8285 30.94338 151.8202 27.84621 -32.99178      41.62817 
1 1 1 6   39 13 o 98.93769 12.87927 302.3466       72.95935 320.5019       214.7583 299.9778       77.57310 93.38478 32.26259 98.16262 13.85975 -4.777840      35.11364 
1 1 1 6   39 14 o 110.6878 28.85500 445.8875       189.2012 475.6750       214.6209 342.0096       400.7892 112.4535 31.36410 96.89448 40.96852 15.55901       51.59580 
1 1 1 6   39 15 o 139.7719 22.51528 655.3785       178.2955 724.9432       200.7601 395.6811       387.8973 145.6284 24.36624 99.22375 41.00203 46.40462       47.69571 
1 1 1 6   39 16 o 66.34663 27.66333 93.69502       178.8149 9.796707       203.1465 382.3434       376.8056 62.21071 27.67721 97.68093 40.39251 -35.47022      48.96512 
1 1 1 6   39 17 o 170.9550 19.78487 953.7982       194.7079 972.7983       228.1749 902.9015       373.4510 169.1820 23.64117 140.9806 42.01885 28.20146       48.21296 
1 1 1 6   39 18 o 130.8550 25.86280 605.3674       191.4409 576.6147       213.1592 725.2886       435.3241 124.1894 29.67297 118.6078 45.17275 5.581650       54.04686 
1 1 1 6   39 19 o 113.7293 29.05099 484.8534       194.4426 347.1383       217.0515 1044.508       437.5546 94.03801 32.43680 143.1091 45.97496 -49.07108      56.26583 
1 1 1 6   39 20 o 62.61138 29.49161 -116.4173      279.8309 -116.4173      279.8309 0.000000       0.000000 62.61138 29.49161 ?        ?        0.000000       29.49161 
1 1 1 6   39 21 o 79.91665 31.76273 224.1969       222.5851 324.9467       267.3363 -3.472109      401.8723 89.73388 35.07069 75.98694 35.65040 13.74694       50.00904 
1 1 1 6   39 22 o 88.45019 32.62754 313.6121       223.3277 493.6388       269.5873 -80.16320      398.7082 105.4787 36.15849 72.46131 34.44618 33.01735       49.93972 
1 1 1 6   39 23 o 62.41727 27.63643 40.88126       200.1422 67.58128       228.7937 -46.14470      413.0596 66.91459 29.59188 74.06455 35.16581 -7.149963      45.95991 
1 1 1 6   39 24 o 60.64403 27.23037 16.04364       201.5224 -11.62378      227.2417 117.9352       436.0868 61.56582 28.14458 80.57568 37.58547 -19.00985      46.95514 
1 1 1 6   39 25 o 66.20951 29.22149 74.57775       222.0342 58.01823       258.1695 121.6245       435.1569 67.92277 30.63177 79.83160 37.33900 -11.90883      48.29603 
1 1 1 6   39 26 o 117.5184 32.29428 577.0103       229.4159 469.0761       274.0344 829.9017       419.4619 100.1833 36.26907 118.2332 44.49769 -18.04986      57.40636 
1 1 1 6   39 27 o 90.94828 32.98642 356.0679       226.8110 247.1421       264.0562 662.5630       442.9380 80.49934 33.59433 104.5340 43.55840 -24.03466      55.00830 
1 1 1 6   39 28 o 53.59951 25.57137 -142.0391      223.7878 41.55273       257.1806 -714.5151      454.1405 66.01481 30.08753 58.98911 29.63631 7.025696       42.23233 
1 1 1 6   40 0  o 83.46771 20.94169 231.0423       102.3308 237.4194       106.3579 151.5849       375.4288 84.44330 21.44056 87.19158 38.25665 -2.748283      43.85509 
1 1 1 6   40 1  o 83.52931 20.08275 229.7410       97.16518 231.4908       100.8412 207.0442       363.1796 83.63934 20.67661 89.72337 38.49902 -6.084038      43.70008 
1 1 1 6   40 2  o 43.16082 19.06392 -15.05886      94.67841 -24.21146      97.84965 119.3179       374.9291 42.93404 19.14804 85.39057 37.81613 -42.45653      42.38758 
1 1 1 6   40 3  f 67.97404 20.10050 150.5484       85.72857 161.1631       88.04252 -43.46396      376.4026 70.14032 20.26752 77.60869 35.75194 -7.468369      41.09712 
1 1 1 6   40 4  o 90.34310 33.28464 284.9718       232.2922 284.9718       232.2922 0.000000       0.000000 90.34310 33.28464 ?        ?        0.000000       33.28464 
1 1 1 6   40 5  o 169.6002 24.16188 960.7080       233.5411 960.7080       233.5411 0.000000       0.000000 169.6002 24.16188 ?        ?        0.000000       24.16188 
1 1 1 6   40 6  o 72.96055 19.77011 175.2522       86.68354 564.9645       226.6568 108.4861       93.81552 124.0691 31.18847 60.23850 21.28795 63.83063       37.76105 
1 1 1 6   40 7  o 79.42194 19.92083 208.5686       92.61653 215.8726       226.6665 207.1048       101.4739 82.68091 32.29918 78.70338 21.41728 3.977524       38.75483 
1 1 1 6   40 8  o 121.3755 15.01863 459.8893       104.6297 677.4492       224.3524 399.4193       118.2801 138.0343 28.65255 111.1340 18.81827 26.90033       34.27967 
1 1 1 6   40 9  o 159.8658 12.90002 782.9644       119.9212 764.9882       243.7211 788.7067       137.7500 145.8760 29.50273 159.3258 14.91533 -13.44981      33.05871 
1 1 1 6   40 10 o 126.9590 14.15155 500.5462       103.5810 284.0288       232.1676 554.3538       115.7382 88.91974 33.17923 133.1908 15.08182 -44.27101      36.44616 
1 1 1 6   40 11 o 140.8605 12.21132 607.4152       99.88380 643.5316       209.8249 596.8329       113.5783 134.4937 27.52935 138.6262 14.16917 -4.132507      30.96176 
1 1 1 6   40 12 o 131.1999 11.87070 526.7072       90.35258 501.5112       213.0971 532.2296       99.76397 115.1989 30.90404 131.2900 13.13269 -16.09109      33.57867 
1 1 1 6   40 13 o 122.5683 12.70159 463.2634       89.98157 309.7169       213.8275 496.3053       99.19182 90.73943 32.13200 126.4691 13.58615 -35.72970      34.88623 
1 1 1 6   40 14 o 121.1459 26.63126 524.0638       184.0461 358.4700       207.0934 1146.286       401.4366 96.56531 31.67561 160.3285 42.14568 -63.76315      52.72194 
1 1 1 6   40 15 o 98.96144 28.16268 362.6336       171.2464 349.5020       194.4628 407.9889       361.4033 95.63342 30.64226 98.10686 39.94913 -2.473442      50.34760 
1 1 1 6   40 16 o 81.59309 29.97964 238.7801       188.2418 59.31203       214.4530 841.2782       392.9310 66.35745 29.01988 130.7436 43.65989 -64.38617      52.42461 
1 1 1 6   40 17 o 162.8781 21.95912 896.2433       204.4238 1072.840       241.2062 446.0177       385.1346 176.2571 23.95341 99.04083 40.88423 77.21626       47.38445 
1 1 1 6   40 18 o 239.7726 16.02281 1822.600       224.0212 1773.990       267.1343 1937.804       411.2489 232.0298 19.82030 224.0568 32.22205 7.972946       37.82994 
1 1 1 6   40 19 o 188.3325 19.37799 1168.859       210.9840 1297.738       244.6130 794.4133       416.9474 195.9310 21.64814 120.9628 44.58829 74.96816       49.56569 
1 1 1 6   40 20 o 73.72945 30.68278 163.7782       219.3697 -13.58027      257.5988 631.8595       418.4837 64.65784 29.70942 107.6774 43.29622 -43.01955      52.50916 
1 1 1 6   40 21 o 71.38793 30.39625 135.2349       223.2637 186.8790       251.4626 -57.06577      485.2369 76.87057 32.47406 77.10564 37.01739 -0.2350693     49.24278 
1 1 1 6   40 22 o 113.8358 35.61921 575.2493       264.1452 575.2493       264.1452 0.000000       0.000000 113.8358 35.61921 ?        ?        0.000000       35.61921 
1 1 1 6   40 23 o 63.14614 31.32953 -490.9600      442.1069 0.000000       0.000000 -490.9600      442.1069 ?        ?        63.14614 31.32953 0.000000       31.32953 
1 1 1 6   40 24 o 110.8913 31.15403 505.7108       210.9390 163.8529       243.8767 1521.098       420.3037 73.68821 31.58202 179.5620 40.83709 -105.8738      51.62453 
1 1 1 6   40 25 o 89.50932 32.46731 340.4095       219.7347 282.7503       260.1020 484.1381       410.6583 83.27377 33.89769 95.27520 40.91069 -12.00143      53.12945 
1 1 1 6   40 26 o 83.50331 33.69970 292.0076       254.5456 348.9260       300.9589 148.9686       477.0983 87.67567 36.16186 80.45079 38.07913 7.224884       52.51381 
1 1 1 6   41 0  o 58.08836 26.90669 -91.65813      217.4891 -91.65813      217.4891 0.000000       0.000000 58.08836 26.90669 ?        ?        0.000000       26.90669 
1 1 1 6   41 1  o 231.6296 10.87714 1621.353       147.3482 1591.027       160.6814 1781.669       369.4422 228.7012 12.02194 224.4430 28.72412 4.258194       31.13844 
1 1 1 6   41 2  o 163.1539 11.12556 807.3126       105.8190 828.1769       110.5229 577.7314       366.6211 165.0785 11.48759 113.9517 41.84371 51.12679       43.39195 
1 1 1 6   41 3  o 48.08663 19.83463 35.42498       90.55062 29.08166       93.61963 127.4450       356.5740 47.82395 19.98403 82.68365 36.73381 -34.85970      41.81787 
1 1 1 6   41 4  o 68.67972 29.68999 70.48299       219.1151 70.48299       219.1151 0.000000       0.000000 68.67972 29.68999 ?        ?        0.000000       29.68999 
1 1 1 6   41 5  o 127.1909 15.17138 507.4432       110.9415 167.8664       250.5815 590.2338       123.7287 78.60696 32.75919 136.9900 15.68271 -58.38303      36.31958 
1 1 1 6   41 6  o 224.7092 10.92107 1528.834       143.4941 2059.120       274.6748 1329.787       168.2836 253.5635 18.60004 207.5103 13.90806 46.05312       23.22490 
1 1 1 6   41 7  o 74.35078 21.97801 187.4091       102.5072 294.8736       225.4525 159.4038       115.0915 89.18209 32.80227 69.50672 23.63018 19.67537       40.42739 
1 1 1 6   41 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   41 9  o 160.0577 15.33715 803.6910       142.2105 0.000000       0.000000 803.6910       142.2105 ?        ?        160.0577 15.33715 0.000000       15.33715 
1 1 1 6   41 10 o 130.6129 13.71032 530.1867       103.4593 718.7822       218.3855 475.6104       117.4791 141.8441 27.24195 121.9088 16.88414 19.93531       32.04993 
1 1 1 6   41 11 o 120.2190 14.53274 453.5058       100.3869 124.2453       213.3273 547.1563       113.7710 71.62672 30.06428 131.9291 14.96841 -60.30236      33.58443 
1 1 1 6   41 12 o 198.9066 10.04186 1195.668       116.7633 1468.364       236.3279 1107.603       134.3002 212.5078 19.16806 190.1485 12.10582 22.35931       22.67081 
1 1 1 6   41 13 o 124.6977 13.51186 484.3198       97.23820 65.89666       219.5400 586.4375       108.4567 67.21062 29.37822 137.2466 13.65521 -70.03600      32.39667 
1 1 1 6   41 14 o 206.3505 16.49218 1355.242       197.9279 1293.110       223.8986 1577.427       423.3996 198.5284 19.48049 192.5092 38.84258 6.019257       43.45383 
1 1 1 6   41 15 o 67.74072 27.99205 119.0005       180.7877 112.4144       206.7013 140.4383       372.9224 69.19386 29.34621 80.77381 36.58389 -11.57995      46.89969 
1 1 1 6   41 16 o 128.5018 27.76615 612.3102       203.1362 792.6784       237.1783 115.7699       393.5250 145.6141 28.79351 80.12666 36.78152 65.48740       46.71131 
1 1 1 6   41 17 o 147.0867 26.47685 786.0607       219.9990 910.2645       266.5986 520.9515       389.4958 153.5613 30.67639 101.5755 41.43093 51.98583       51.55156 
1 1 1 6   41 18 o 75.13104 30.77030 184.0621       215.9278 109.7863       264.5324 332.3583       373.7836 72.20748 31.88102 89.33680 38.69877 -17.12932      50.13975 
1 1 1 6   41 19 o 87.96580 31.59293 311.9977       207.4289 274.2584       243.7729 411.0189       394.8686 83.75795 33.25608 93.52185 40.13645 -9.763901      52.12391 
1 1 1 6   41 20 o 45.39900 21.95031 -198.9630      177.9415 -293.0817      199.7778 162.3484       391.4264 44.93048 22.05586 80.30988 36.79779 -35.37940      42.90150 
1 1 1 6   41 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   41 22 o 106.0010 34.00598 496.2621       239.4464 749.4689       268.6184 -483.2442      528.3256 131.8154 34.39101 67.95611 33.80534 63.85934       48.22388 
1 1 1 6   41 23 o 82.88116 32.81466 279.6295       236.7116 378.0939       262.0563 -156.8194      551.7236 91.56677 35.00588 75.33191 36.91242 16.23486       50.87178 
1 1 1 6   41 24 o 44.14486 21.95669 -404.6142      222.5154 -383.9315      239.0690 -538.6384      608.5708 46.82366 23.19741 70.09461 35.08580 -23.27095      42.06106 
1 1 1 6   42 0  o 178.0903 12.14538 971.0163       126.0941 971.0163       126.0941 0.000000       0.000000 178.0903 12.14538 ?        ?        0.000000       12.14538 
1 1 1 6   42 1  o 67.59869 22.25858 151.6858       102.2229 189.6396       106.2960 -315.2798      372.8483 74.46860 22.46889 64.94090 31.48806 9.527702       38.68267 
1 1 1 6   42 2  o 89.16837 19.33283 264.4829       98.18161 236.7123       101.5032 668.0814       386.9565 83.57515 20.79333 117.5175 43.01540 -33.94234      47.77748 
1 1 1 6   42 3  o 190.0390 23.67199 1229.911       258.1284 1229.911       258.1284 0.000000       0.000000 190.0390 23.67199 ?        ?        0.000000       23.67199 
1 1 1 6   42 4  o 83.85230 33.38150 244.3875       246.2412 244.3875       246.2412 0.000000       0.000000 83.85230 33.38150 ?        ?        0.000000       33.38150 
1 1 1 6   42 5  o 158.5590 12.99830 776.0175       119.8126 863.0673       247.2898 749.3149       136.9615 154.1418 28.40108 154.3053 15.33729 -0.1635742     32.27776 
1 1 1 6   42 6  o 55.63153 21.94665 75.94271       105.5338 73.86140       242.2045 76.43046       117.2492 69.95324 30.70946 57.17830 22.94283 12.77494       38.33333 
1 1 1 6   42 7  o 152.1368 14.28598 723.0026       125.9747 893.2191       253.6140 667.2493       145.1468 156.1742 28.74839 143.9183 17.55969 12.25595       33.68699 
1 1 1 6   42 8  o 104.7578 19.09249 363.0420       112.9800 559.3334       229.0171 299.9048       129.8852 119.2766 32.05511 92.21532 23.84195 27.06133       39.94957 
1 1 1 6   42 9  o 207.8173 11.58917 1319.453       140.6893 1345.764       238.8519 1305.474       174.0954 201.6182 20.48392 204.3101 14.62613 -2.691849      25.16972 
1 1 1 6   42 10 o 142.9484 14.29769 640.7496       118.2591 777.7417       236.9041 595.2834       136.4799 144.5999 28.94608 135.5633 17.57988 9.036606       33.86632 
1 1 1 6   42 11 o 157.2857 12.62242 764.6185       115.4579 748.1587       240.2881 769.5594       131.6516 140.2019 30.12155 156.5341 14.50557 -16.33217      33.43230 
1 1 1 6   42 12 o 102.5619 15.54446 337.1518       90.57316 601.9412       245.8187 295.5574       97.42762 121.0126 33.49708 94.43584 18.25165 26.57674       38.14679 
1 1 1 6   42 13 o 67.38637 19.88065 153.9681       83.94353 140.3233       236.7266 155.9306       89.77748 73.09057 31.21558 67.66723 20.69739 5.423340       37.45390 
1 1 1 6   42 14 o 70.42853 17.97520 166.3676       74.48508 499.6859       225.4082 125.5098       78.91830 110.0067 32.60952 61.40501 19.50363 48.60172       37.99700 
1 1 1 6   42 15 o 119.4898 29.37170 553.0336       204.3519 718.4672       240.2407 120.0627       388.6549 134.9946 30.99944 78.99429 36.36812 56.00036       47.78709 
1 1 1 6   42 16 o 50.56777 24.13835 -158.0200      199.9874 -303.7646      246.7406 121.0691       341.4411 50.85039 24.86771 76.74752 34.85747 -25.89713      42.81876 
1 1 1 6   42 17 o 102.2518 32.48562 439.0480       218.9306 622.9067       270.4792 89.74107       372.8167 118.1961 35.88004 76.51099 35.36557 41.68510       50.37957 
1 1 1 6   42 18 o 94.09978 31.91359 371.0582       209.9104 423.5506       272.7933 294.8588       328.6708 96.15466 35.94786 85.25494 36.60371 10.89973       51.30381 
1 1 1 6   42 19 o 52.06831 24.35672 -81.96904      185.2661 -112.5030      256.8043 -48.82957      267.5367 58.77272 27.85345 62.66557 29.29940 -3.892857      40.42610 
1 1 1 6   42 20 o 79.98182 29.00406 248.5637       175.3424 304.4655       224.5239 161.1697       280.7313 85.40987 32.46228 74.88504 32.96164 10.52483       46.26304 
1 1 1 6   42 21 o 37.12775 18.72746 -511.1845      191.2799 -581.4169      246.1922 -404.2160      303.8321 42.84785 21.56578 53.46904 26.42841 -10.62119      34.11075 
1 1 1 6   42 22 o 58.83523 27.49104 -55.57360      234.9158 37.75293       306.3141 -188.8520      366.0533 68.99260 31.94862 64.45480 31.23995 4.537804       44.68388 
1 1 1 6   43 0  o 93.32852 21.00012 297.8833       112.1571 303.4431       117.2017 237.4360       386.4461 93.76260 21.73756 86.22878 38.27895 7.533821       44.02045 
1 1 1 6   43 1  o 70.33546 31.03906 80.88539       250.4489 80.88539       250.4489 0.000000       0.000000 70.33546 31.03906 ?        ?        0.000000       31.03906 
1 1 1 6   43 2  o 180.5809 11.20887 995.8707       118.1240 1037.082       123.9505 588.1746       389.8581 184.0745 11.53971 107.9538 42.30446 76.12064       43.85011 
1 1 1 6   43 3  o 52.42582 25.55220 -300.6991      254.2824 -300.6991      254.2824 0.000000       0.000000 52.42582 25.55220 ?        ?        0.000000       25.55220 
1 1 1 6   43 4  f 109.1556 20.87347 404.2939       128.7578 471.7903       271.7397 384.7530       146.2131 103.8659 36.26783 103.8637 24.41748 0.2151489E-02  43.72149 
1 1 1 6   43 5  o 160.2513 15.09644 811.2765       140.2102 659.1532       277.8183 863.2648       162.4111 123.7155 36.07745 163.6630 17.17618 -39.94750      39.95752 
1 1 1 6   43 6  o 35.34201 17.23788 -180.4985      116.3089 -522.4547      260.3677 -95.24971      130.0008 46.64254 23.28648 43.04411 20.22062 3.598434       30.84045 
1 1 1 6   43 7  o 81.17842 23.84719 235.4554       120.9991 624.1882       252.8431 119.9860       137.8031 122.5115 33.99532 64.13911 25.14640 58.37234       42.28502 
1 1 1 6   43 8  o 143.8962 15.57785 659.5105       129.3702 582.1963       253.4456 686.7534       150.4462 117.2028 34.53582 144.9398 18.09162 -27.73704      38.98756 
1 1 1 6   43 9  o 49.34065 21.49888 13.31936       116.7695 -157.3935      250.2907 60.81321       132.0171 57.04951 27.16857 56.54405 23.68660 0.5054588      36.04423 
1 1 1 6   43 10 o 151.3277 14.59259 723.4689       127.9050 925.9324       254.5584 655.0910       147.9353 156.9249 28.71749 141.1397 18.30254 15.78517       34.05403 
1 1 1 6   43 11 o 153.0649 14.49073 740.0370       128.5329 619.2853       256.1978 780.6526       148.5852 120.2219 34.52265 155.6056 16.53455 -35.38367      38.27799 
1 1 1 6   43 12 o 122.0417 14.41492 472.1154       101.1854 401.4361       242.7498 486.9781       111.3170 96.33116 34.22398 123.0857 15.78345 -26.75455      37.68817 
1 1 1 6   43 13 o 147.5315 13.10726 679.7054       112.2297 586.8392       234.3004 707.3570       127.8511 118.9846 32.61197 149.3037 14.79541 -30.31912      35.81123 
1 1 1 6   43 14 o 122.6310 12.79293 469.9167       90.65553 342.0336       245.1710 490.1709       97.57082 89.61855 33.95446 124.8154 13.54606 -35.19686      36.55682 
1 1 1 6   43 15 o 181.8946 21.57369 1137.154       225.6650 863.1361       278.4732 1661.305       385.1432 143.6608 33.64637 200.7748 33.91545 -57.11403      47.77380 
1 1 1 6   43 16 o 144.4179 27.65626 789.1048       225.7152 787.9178       294.8909 790.7841       350.7446 131.3954 36.80726 122.7533 41.25327 8.642029       55.28658 
1 1 1 6   43 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   43 18 o 49.57301 23.64456 -142.4480      191.0875 -12.95025      292.2833 -239.1162      252.5310 66.05774 30.79916 53.13853 25.80012 12.91920       40.17754 
1 1 1 6   43 19 o 46.79742 22.65537 -202.3021      191.0857 -31.26655      290.9026 -332.1104      253.4286 64.95038 30.42729 50.06689 24.62977 14.88349       39.14646 
1 1 1 6   43 20 o 53.79909 24.82478 -39.40469      182.5561 -218.9347      271.6166 108.5142       246.5469 55.49163 26.89911 68.98543 30.60226 -13.49380      40.74384 
1 1 1 6   44 0  o 38.31940 18.15135 -98.88877      108.8027 -126.1059      112.8104 263.8798       411.8535 37.44730 17.94376 86.05277 38.75920 -48.60547      42.71128 
1 1 1 6   44 1  o 160.9231 12.65316 803.8249       118.4576 833.8445       123.6705 470.0824       412.3528 163.6747 12.98997 96.81892 41.26953 66.85580       43.26561 
1 1 1 6   44 2  o 137.2748 33.47799 777.2207       267.0711 777.2207       267.0711 0.000000       0.000000 137.2748 33.47799 ?        ?        0.000000       33.47799 
1 1 1 6   44 3  o 84.31848 26.38880 265.9264       144.9740 291.5613       265.2799 255.0102       173.1109 85.35894 34.41912 81.80094 28.91651 3.557999       44.95376 
1 1 1 6   44 4  o 89.39268 24.42249 291.3625       131.6451 222.8737       256.0127 315.9816       153.4929 79.52554 33.12480 91.36975 26.86387 -11.84421      42.64880 
1 1 1 6   44 5  o 54.35261 23.06577 47.59275       127.8265 139.9090       242.7061 12.15623       150.3720 72.61417 31.31844 54.11119 23.95706 18.50299       39.43077 
1 1 1 6   44 6  o 141.1157 16.24564 641.8976       132.0002 592.8636       253.9894 660.0422       154.5047 117.0180 34.59674 140.6921 19.22755 -23.67406      39.58072 
1 1 1 6   44 7  o 127.9361 17.54308 536.5154       128.1655 496.8432       256.7641 549.6802       147.9098 105.5089 35.29437 127.1708 20.53075 -21.66184      40.83141 
1 1 1 6   44 8  o 118.2357 20.19693 474.6218       135.0250 486.8723       262.4835 470.2136       157.4558 103.7792 35.67542 114.3335 24.23544 -10.55434      43.12878 
1 1 1 6   44 9  o 71.07616 27.51862 171.1123       163.3882 485.1157       260.4224 -32.72294      209.8219 103.5999 35.53778 58.20946 26.77086 45.39045       44.49284 
1 1 1 6   44 10 o 80.88001 24.93786 241.4624       130.0088 37.27150       254.1674 313.8183       151.3000 66.34290 30.10920 90.81269 26.66352 -24.46980      40.21824 
1 1 1 6   44 11 o 61.50714 22.42523 122.7557       105.0154 79.33936       236.3560 133.4348       117.2213 67.37436 29.92117 63.80174 23.61978 3.572617       38.12047 
1 1 1 6   44 12 o 63.84779 21.89166 138.7807       98.81934 62.47112       239.5300 154.4327       108.4815 66.34223 29.74617 66.70440 22.93469 -0.3621674     37.56108 
1 1 1 6   44 13 o 88.23072 17.42885 259.9377       86.98566 64.06950       244.5374 288.3118       93.07317 66.67154 29.96162 92.84220 17.73998 -26.17066      34.81961 
1 1 1 6   44 14 o 135.8629 13.02940 579.3395       102.5478 195.0147       267.1058 645.7807       111.0587 76.37295 32.89659 143.2493 13.37390 -66.87640      35.51122 
1 1 1 6   44 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   44 16 o 58.11846 26.84785 -31.02242      214.3875 -274.1058      297.3201 232.2512       309.4214 56.38280 27.51361 79.68500 34.85305 -23.30220      44.40421 
1 1 1 6   44 17 o 121.1754 31.13825 609.6782       222.4704 1089.389       320.8286 165.3804       308.7596 156.9105 35.67381 75.28741 33.76347 81.62309       49.11814 
1 1 1 6   45 0  o 115.9614 18.74582 450.2766       123.1401 450.2766       123.1401 0.000000       0.000000 115.9614 18.74582 ?        ?        0.000000       18.74582 
1 1 1 6   45 1  o 65.45744 29.29397 55.85463       231.1142 114.9740       271.5229 -99.61775      440.3199 71.92033 31.99736 72.38615 34.88189 -0.4658127     47.33473 
1 1 1 6   45 2  o 63.37902 29.41382 -26.19304      261.8023 -26.19304      261.8023 0.000000       0.000000 63.37902 29.41382 ?        ?        0.000000       29.41382 
1 1 1 6   45 3  o 64.60159 24.80840 133.4857       132.0142 21.82134       259.4083 172.5124       153.3582 65.63995 30.03107 70.54603 26.82504 -4.906082      40.26721 
1 1 1 6   45 4  o 107.5153 22.54358 409.7498       137.5996 578.7035       256.5009 341.4831       163.0457 113.6255 35.02708 93.58440 27.73227 20.04114       44.67633 
1 1 1 6   45 5  o 96.53297 23.17328 335.9907       129.5279 291.3995       230.2064 356.6472       156.6828 84.11863 32.63803 96.48662 26.75631 -12.36799      42.20357 
1 1 1 6   45 6  o 63.35988 24.30608 127.5635       126.6316 -130.4261      219.1842 256.8200       155.1438 53.78500 25.55990 81.61739 27.43665 -27.83238      37.49771 
1 1 1 6   45 7  o 65.00346 26.22465 126.8517       154.0879 -104.0418      230.7746 312.5992       206.9872 56.27384 26.59014 86.61531 31.49784 -30.34147      41.22074 
1 1 1 6   45 8  o 130.2134 25.74282 628.0758       189.6205 539.6004       237.2519 784.5354       315.5000 110.8909 33.59181 126.7283 38.80716 -15.83746      51.32645 
1 1 1 6   45 9  o 101.3885 29.13966 413.2909       182.4556 256.9468       236.7236 642.0890       286.3697 80.48796 32.49294 115.8509 37.19128 -35.36295      49.38605 
1 1 1 6   45 10 o 131.0739 18.74967 576.4637       140.0309 617.0342       260.9532 560.0569       165.9472 116.5201 35.21547 124.8815 23.52068 -8.361374      42.34798 
1 1 1 6   45 11 o 88.66769 22.26746 282.2283       115.6185 -183.9745      265.6099 391.2162       128.4239 56.41212 27.16084 105.5471 21.47822 -49.13494      34.62694 
1 1 1 6   45 12 o 112.6646 17.86992 423.2872       114.1391 709.0235       281.5038 367.0703       124.8634 123.5627 36.39402 102.0432 21.54153 21.51945       42.29139 
1 1 1 6   45 13 o 65.00451 20.74644 147.0384       89.20880 287.1092       293.1046 132.7384       93.65186 82.60637 34.98620 62.34126 21.31341 20.26511       40.96701 
1 1 1 6   46 0  o 211.8887 20.47179 1533.245       251.2339 1716.551       313.2376 1202.667       420.6514 216.9632 25.07824 146.5125 44.79920 70.45074       51.34088 
1 1 1 6   46 1  o 148.5601 34.31436 951.0325       292.9464 951.0325       292.9464 0.000000       0.000000 148.5601 34.31436 ?        ?        0.000000       34.31436 
1 1 1 6   46 2  o 86.53312 23.81767 276.5519       124.6740 516.6772       270.9545 212.0585       140.4220 103.7574 36.21637 75.21182 26.08284 28.54556       44.63116 
1 1 1 6   46 3  o 111.5196 35.81549 582.4072       265.5553 582.4072       265.5553 0.000000       0.000000 111.5196 35.81549 ?        ?        0.000000       35.81549 
1 1 1 6   46 4  o 69.37026 25.88310 170.0491       141.2828 329.7388       241.4626 86.91763       174.2185 86.82590 33.49716 62.38190 26.71386 24.44399       42.84495 
1 1 1 6   46 5  o 48.48447 21.80104 -11.46104      129.6786 114.9605       212.1942 -86.82387      163.8330 67.51127 29.20114 48.48809 22.75325 19.02318       37.01914 
1 1 1 6   46 6  o 46.42051 21.15426 -31.24990      127.0806 63.04383       204.1514 -90.90115      162.3755 63.00640 27.90383 48.01046 22.56776 14.99595       35.88771 
1 1 1 6   46 7  f 73.81551 26.68827 203.4003       148.3174 273.6590       215.1153 139.7357       204.7718 81.58889 31.57921 68.92905 29.22034 12.65984       43.02412 
1 1 1 6   46 8  o 58.76503 24.12240 89.75138       133.0886 328.4496       227.4215 -34.57120      164.1278 86.69859 32.73511 51.68327 23.73552 35.01532       40.43467 
1 1 1 6   46 9  o 77.04543 24.60595 222.6711       125.4710 281.0013       253.1547 203.6763       144.4630 81.61573 33.35904 73.62292 26.37453 7.992813       42.52578 
1 1 1 7   0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  1  o 792.2305 26.61549 18554.69       1233.454 18554.69       1233.454 18554.69       1233.454 792.2305 26.61549 792.2305 26.61549 0.000000       0.000000 
1 1 1 7   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  7  o 120.5842 17.46948 453.6368       116.0006 453.6368       116.0006 453.6368       116.0006 120.5842 17.46948 120.5842 17.46948 0.000000       0.000000 
1 1 1 7   0  8  o 234.6597 10.29254 1625.924       141.0265 1625.924       141.0265 1625.924       141.0265 234.6597 10.29254 234.6597 10.29254 0.000000       0.000000 
1 1 1 7   0  9  o 622.6525 15.80358 11421.02       576.2607 11421.02       576.2607 11421.02       576.2607 622.6525 15.80358 622.6525 15.80358 0.000000       0.000000 
1 1 1 7   0  10 o 468.9028 9.156587 6459.954       251.5899 6459.954       251.5899 6459.954       251.5899 468.9028 9.156587 468.9028 9.156587 0.000000       0.000000 
1 1 1 7   0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  13 o 322.5945 8.002992 3058.353       151.2013 3058.353       151.2013 3058.353       151.2013 322.5945 8.002992 322.5945 8.002992 0.000000       0.000000 
1 1 1 7   0  14 o 491.6981 9.561608 7100.749       275.4922 7100.749       275.4922 7100.749       275.4922 491.6981 9.561608 491.6981 9.561608 0.000000       0.000000 
1 1 1 7   0  15 o 129.2236 12.95677 504.6425       95.75656 504.6425       95.75656 504.6425       95.75656 129.2236 12.95677 129.2236 12.95677 0.000000       0.000000 
1 1 1 7   0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  17 f 26.54174 18.65038 -124.3913      111.9856 -124.3913      111.9856 -124.3913      111.9856 26.54174 18.65038 26.54174 18.65038 0.000000       0.000000 
1 1 1 7   0  18 o 624.7271 11.74807 11465.27       430.0914 11465.27       430.0914 11465.27       430.0914 624.7271 11.74807 624.7271 11.74807 0.000000       0.000000 
1 1 1 7   0  19 o 426.0637 9.910129 5334.842       247.3281 5334.842       247.3281 5334.842       247.3281 426.0637 9.910129 426.0637 9.910129 0.000000       0.000000 
1 1 1 7   0  20 o 773.0153 13.70759 17560.05       620.9999 17560.05       620.9999 17560.05       620.9999 773.0153 13.70759 773.0153 13.70759 0.000000       0.000000 
1 1 1 7   0  21 o 148.6998 13.88380 666.0564       118.5148 666.0564       118.5148 666.0564       118.5148 148.6998 13.88380 148.6998 13.88380 0.000000       0.000000 
1 1 1 7   0  22 o 272.5055 9.086815 2186.349       144.8574 2186.349       144.8574 2186.349       144.8574 272.5055 9.086815 272.5055 9.086815 0.000000       0.000000 
1 1 1 7   0  23 o 503.9724 10.03899 7464.236       296.4547 7464.236       296.4547 7464.236       296.4547 503.9724 10.03899 503.9724 10.03899 0.000000       0.000000 
1 1 1 7   0  24 o 771.5721 13.64353 17511.19       616.9464 17511.19       616.9464 17511.19       616.9464 771.5721 13.64353 771.5721 13.64353 0.000000       0.000000 
1 1 1 7   0  25 o 60.64061 26.62246 155.9596       98.90949 155.9596       98.90949 155.9596       98.90949 60.64061 26.62246 60.64061 26.62246 0.000000       0.000000 
1 1 1 7   0  26 o 94.57479 19.94370 295.9319       97.35673 295.9319       97.35673 295.9319       97.35673 94.57479 19.94370 94.57479 19.94370 0.000000       0.000000 
1 1 1 7   0  27 f 825.1557 14.40244 20058.10       696.5045 20058.10       696.5045 20058.10       696.5045 825.1557 14.40244 825.1557 14.40244 0.000000       0.000000 
1 1 1 7   0  28 o 81.82693 36.21611 288.3537       182.9780 288.3537       182.9780 288.3537       182.9780 81.82693 36.21611 81.82693 36.21611 0.000000       0.000000 
1 1 1 7   0  29 o 21.92238 15.55538 -111.8038      84.35732 -111.8038      84.35732 -111.8038      84.35732 21.92238 15.55538 21.92238 15.55538 0.000000       0.000000 
1 1 1 7   0  30 o 54.34830 25.24459 128.0586       89.16296 128.0586       89.16296 128.0586       89.16296 54.34830 25.24459 54.34830 25.24459 0.000000       0.000000 
1 1 1 7   0  31 o 220.6843 9.319271 1438.647       120.1254 1438.647       120.1254 1438.647       120.1254 220.6843 9.319271 220.6843 9.319271 0.000000       0.000000 
1 1 1 7   0  32 o 28.20704 19.39882 -74.48784      105.0038 -74.48784      105.0038 -74.48784      105.0038 28.20704 19.39882 28.20704 19.39882 0.000000       0.000000 
1 1 1 7   0  33 o 243.5953 10.33263 1753.738       147.0094 1753.738       147.0094 1753.738       147.0094 243.5953 10.33263 243.5953 10.33263 0.000000       0.000000 
1 1 1 7   0  34 o 157.5683 13.54109 747.2890       122.9212 747.2890       122.9212 747.2890       122.9212 157.5683 13.54109 157.5683 13.54109 0.000000       0.000000 
1 1 1 7   0  35 o 418.2915 9.623769 5152.266       235.8063 5152.266       235.8063 5152.266       235.8063 418.2915 9.623769 418.2915 9.623769 0.000000       0.000000 
1 1 1 7   0  36 o 297.4015 10.19988 2611.520       177.4303 2611.520       177.4303 2611.520       177.4303 297.4015 10.19988 297.4015 10.19988 0.000000       0.000000 
1 1 1 7   0  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  38 o 23.10654 16.84794 -308.2559      135.0302 -308.2559      135.0302 -308.2559      135.0302 23.10654 16.84794 23.10654 16.84794 0.000000       0.000000 
1 1 1 7   0  39 o 216.2606 13.05116 1396.869       164.1355 1396.869       164.1355 1396.869       164.1355 216.2606 13.05116 216.2606 13.05116 0.000000       0.000000 
1 1 1 7   0  40 o 261.3918 11.54843 2029.764       176.2489 2029.764       176.2489 2029.764       176.2489 261.3918 11.54843 261.3918 11.54843 0.000000       0.000000 
1 1 1 7   0  41 o 99.70684 27.82182 363.2355       140.7570 363.2355       140.7570 363.2355       140.7570 99.70684 27.82182 99.70684 27.82182 0.000000       0.000000 
1 1 1 7   0  42 o 31.14701 21.43328 -83.71077      128.6243 -83.71077      128.6243 -83.71077      128.6243 31.14701 21.43328 31.14701 21.43328 0.000000       0.000000 
1 1 1 7   0  43 o 204.8811 12.33376 1260.871       146.9577 1260.871       146.9577 1260.871       146.9577 204.8811 12.33376 204.8811 12.33376 0.000000       0.000000 
1 1 1 7   0  44 f 128.1256 19.18074 528.2138       134.6150 528.2138       134.6150 528.2138       134.6150 128.1256 19.18074 128.1256 19.18074 0.000000       0.000000 
1 1 1 7   0  45 o 35.04866 23.28180 -21.45835      127.4865 -21.45835      127.4865 -21.45835      127.4865 35.04866 23.28180 35.04866 23.28180 0.000000       0.000000 
1 1 1 7   0  46 o 265.0166 10.97572 2100.517       169.9244 2100.517       169.9244 2100.517       169.9244 265.0166 10.97572 265.0166 10.97572 0.000000       0.000000 
1 1 1 7   0  47 o 71.94352 31.93706 242.1148       142.2840 242.1148       142.2840 242.1148       142.2840 71.94352 31.93706 71.94352 31.93706 0.000000       0.000000 
1 1 1 7   0  48 o 32.81708 22.75686 -102.6882      152.0163 -102.6882      152.0163 -102.6882      152.0163 32.81708 22.75686 32.81708 22.75686 0.000000       0.000000 
1 1 1 7   0  49 o 55.59703 31.63843 151.0195       160.7852 151.0195       160.7852 151.0195       160.7852 55.59703 31.63843 55.59703 31.63843 0.000000       0.000000 
1 1 1 7   0  50 o 88.79218 35.37108 363.1084       178.1036 363.1084       178.1036 363.1084       178.1036 88.79218 35.37108 88.79218 35.37108 0.000000       0.000000 
1 1 1 7   1  0  o 510.3666 13.06358 7660.666       390.6949 0.000000       0.000000 7660.666       390.6949 ?        ?        510.3666 13.06358 0.000000       13.06358 
1 1 1 7   1  1  o 583.2369 14.42451 10003.39       493.3972 0.000000       0.000000 10003.39       493.3972 ?        ?        583.2369 14.42451 0.000000       14.42451 
1 1 1 7   1  2  o 588.7475 20.62460 10237.83       711.0395 10237.83       711.0395 0.000000       0.000000 588.7475 20.62460 ?        ?        0.000000       20.62460 
1 1 1 7   1  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   1  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   1  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   1  6  o 839.6337 20.66712 20849.96       1017.701 20849.96       1017.701 0.000000       0.000000 839.6337 20.66712 ?        ?        0.000000       20.66712 
1 1 1 7   1  7  o 205.3042 8.233475 1239.774       98.93496 1292.123       142.5622 1191.139       137.4103 209.2870 11.66090 200.9107 11.71259 8.376328       16.52759 
1 1 1 7   1  8  o 330.4266 7.601544 3205.765       147.3083 3171.002       206.2890 3241.935       210.4235 328.2461 10.73026 331.8904 10.82506 -3.644287      15.24206 
1 1 1 7   1  9  o 537.4507 7.107246 8479.422       224.0219 8453.792       316.0651 8505.297       317.5699 536.3490 10.04798 537.9785 10.06524 -1.629456      14.22219 
1 1 1 7   1  10 o 311.1066 6.251459 2840.277       114.0620 2759.618       189.9875 2885.734       142.6265 306.2632 10.59337 313.5236 7.756743 -7.260376      13.12960 
1 1 1 7   1  11 o 540.8958 7.131155 8586.147       226.2163 8542.497       317.8948 8630.927       321.9808 539.3043 10.05076 542.0819 10.12779 -2.777588      14.26849 
1 1 1 7   1  12 o 1006.393 17.18858 29814.25       1014.514 0.000000       0.000000 29814.25       1014.514 ?        ?        1006.393 17.18858 0.000000       17.18858 
1 1 1 7   1  13 o 907.4443 11.02449 24178.96       586.7175 23751.24       807.7419 24656.67       853.6473 898.8262 15.32309 915.7090 15.89536 -16.88275      22.07849 
1 1 1 7   1  14 o 313.7448 5.650311 2887.415       103.9679 2938.515       147.0175 2836.293       147.0482 316.3618 7.930066 310.7998 8.074145 5.562073       11.31714 
1 1 1 7   1  15 o 288.6691 5.861976 2444.345       99.24184 2432.520       140.3779 2456.160       140.3204 287.8022 8.325509 289.2007 8.281682 -1.398529      11.74310 
1 1 1 7   1  16 o 266.2653 6.091876 2079.730       95.12971 1968.652       129.2183 2211.170       140.5642 258.8724 8.522757 274.3587 8.747031 -15.48627      12.21261 
1 1 1 7   1  17 o 937.1194 11.43388 25786.46       628.4039 25597.11       879.7656 25983.70       897.9067 933.0629 16.07702 940.0497 16.28658 -6.986877      22.88500 
1 1 1 7   1  18 o 588.9464 8.011523 10178.27       276.7205 10147.39       390.9888 10209.26       391.6959 587.8474 11.34094 589.6378 11.32695 -1.790405      16.02863 
1 1 1 7   1  19 o 356.8339 6.913763 3735.905       144.6875 3737.979       207.5887 3733.945       201.7733 356.6890 9.933140 356.5150 9.659080 0.1739502      13.85515 
1 1 1 7   1  20 o 390.5356 6.667780 4474.959       152.7188 4494.724       217.7675 4455.831       214.2299 391.2829 9.489683 389.5916 9.376050 1.691223       13.34033 
1 1 1 7   1  21 o 216.8794 7.137929 1381.806       90.66696 1327.852       129.8862 1433.082       126.6210 212.3718 10.46054 220.6968 9.807201 -8.325058      14.33890 
1 1 1 7   1  22 o 444.6090 6.631847 5801.027       172.9272 5733.150       242.3325 5871.454       246.8418 441.8353 9.351919 447.1284 9.413171 -5.293091      13.26899 
1 1 1 7   1  23 o 148.7842 9.027394 652.5728       78.40095 626.5972       111.8226 677.6867       109.9524 145.3252 13.26627 151.2735 12.50504 -5.948380      18.23101 
1 1 1 7   1  24 o 298.3860 6.223419 2613.179       108.9075 2606.361       156.0721 2619.651       152.0439 297.7195 8.948718 298.5013 8.694313 -0.7817993     12.47680 
1 1 1 7   1  25 o 435.1903 6.513635 5560.102       166.2468 5687.116       239.9617 5442.867       230.5383 439.8682 9.301839 430.3370 9.134480 9.531189       13.03698 
1 1 1 7   1  26 o 381.4817 6.108571 4272.503       136.6671 4364.980       196.3126 4185.533       190.3769 385.3551 8.686334 377.3595 8.602178 7.995575       12.22497 
1 1 1 7   1  27 o 179.6820 7.157899 949.9692       75.27847 981.6584       110.4152 922.4464       102.9012 182.3243 10.36879 176.7704 9.966049 5.553925       14.38172 
1 1 1 7   1  28 o 247.0867 5.994656 1792.831       86.86885 1690.084       121.1393 1901.598       124.6376 239.5640 8.636231 254.1624 8.372985 -14.59836      12.02877 
1 1 1 7   1  29 o 438.0470 9.015331 5646.990       231.6077 5595.176       309.8538 5712.592       348.6538 435.2319 12.15097 439.3942 13.54592 -4.162262      18.19720 
1 1 1 7   1  30 o 37.41854 15.97812 -1.056652      62.00519 10.39369       84.89809 -14.14673      90.77367 45.22982 18.97410 43.65060 18.98829 1.579220       26.84346 
1 1 1 7   1  31 o 672.4637 8.569585 13306.42       337.9708 13111.67       468.0001 13518.70       488.5903 666.4289 11.97406 676.5631 12.31363 -10.13422      17.17567 
1 1 1 7   1  32 o 66.10287 18.20622 134.1381       72.82109 181.3887       100.9767 82.93327       105.1171 76.74130 21.55317 59.83714 22.32592 16.90417       31.03201 
1 1 1 7   1  33 o 273.9002 7.008851 2206.424       112.4949 2225.869       159.0715 2186.968       159.1120 274.7051 9.889732 272.2762 9.981102 2.428925       14.05095 
1 1 1 7   1  34 o 270.4753 7.037921 2152.041       111.5458 2154.664       156.1586 2149.307       159.3903 270.2283 9.869944 269.8542 10.08899 0.3740540      14.11394 
1 1 1 7   1  35 o 139.6350 10.88110 578.9988       88.40525 616.6591       127.2666 543.8810       122.8957 143.2687 15.38739 134.3349 15.90736 8.933762       22.13178 
1 1 1 7   1  36 o 97.26701 16.64466 289.9407       91.53783 257.3597       129.9343 322.0443       128.9790 90.38876 24.07966 101.2994 22.31392 -10.91064      32.82897 
1 1 1 7   1  37 o 146.9525 11.22460 642.6892       96.00624 674.0834       137.9632 613.2120       133.6845 149.4230 15.99167 142.3588 16.30594 7.064255       22.83894 
1 1 1 7   1  38 o 260.3454 10.64938 2008.815       162.2583 2126.621       301.8171 1960.926       192.4322 264.6182 19.58680 256.6065 12.82740 8.011688       23.41335 
1 1 1 7   1  39 f 296.9293 7.788951 2601.531       135.5212 2717.262       196.5828 2496.715       187.0818 302.5070 11.09933 289.9799 11.02058 12.52713       15.64123 
1 1 1 7   1  40 o 35.41938 16.90954 -124.8366      98.20905 -260.2997      137.0604 18.10285       140.7919 37.34068 18.31759 56.92452 24.18423 -19.58384      30.33828 
1 1 1 7   1  41 o 289.1492 7.445082 2471.831       126.1481 2507.998       178.7119 2435.916       178.0903 290.0850 10.52199 285.8277 10.64252 4.257324       14.96581 
1 1 1 7   1  42 o 148.2556 11.47659 661.8882       99.01067 670.8920       144.8693 653.9961       135.6312 146.9698 17.12793 145.5253 16.16408 1.444473       23.55087 
1 1 1 7   1  43 o 99.66001 16.19241 311.6474       91.39615 318.0717       134.4805 306.1330       124.5924 97.53574 23.73742 96.17249 22.49303 1.363251       32.70171 
1 1 1 7   1  44 o 43.51471 18.88625 -1.705605      89.37890 3.463301       132.1743 -6.060656      121.3233 52.55859 22.88745 49.67068 21.77211 2.887909       31.58892 
1 1 1 7   1  45 f 115.6410 13.84182 414.2301       92.01353 468.8276       138.7843 371.4078       122.9105 119.5986 20.52512 106.2030 20.47561 13.39555       28.99191 
1 1 1 7   1  46 o 43.14938 18.95797 -7.823853      92.47494 132.3117       133.0486 -138.7903      128.6223 66.71268 25.07090 40.62978 19.38444 26.08290       31.69079 
1 1 1 7   1  47 o 95.79068 18.88709 302.7267       102.3330 300.4682       145.5636 304.9335       143.8924 91.47780 25.94245 92.30742 25.65745 -0.8296204     36.48719 
1 1 1 7   1  48 o 183.2563 10.56502 1019.810       113.0668 983.7474       158.9741 1056.725       160.8434 176.5391 15.51203 183.3493 15.09149 -6.810181      21.64200 
1 1 1 7   1  49 f 48.63378 21.06406 15.18486       110.7091 10.71767       166.4314 18.73032       148.2702 56.60976 25.12612 54.82229 24.04841 1.787472       34.77999 
1 1 1 7   1  50 o 41.21784 19.42398 -96.59032      121.6493 -42.03098      125.5348 -937.2462      492.7638 45.92180 20.96466 59.68855 30.10118 -13.76675      36.68239 
1 1 1 7   2  0  o 910.4841 17.30112 24410.20       923.8405 23591.49       1555.231 24856.61       1148.414 890.9758 29.80508 917.7806 21.33580 -26.80481      36.65459 
1 1 1 7   2  1  o 655.2789 15.84182 12636.04       608.8101 13625.63       909.1912 11831.65       819.7184 678.7781 22.87166 632.6379 22.12729 46.14020       31.82341 
1 1 1 7   2  2  o 473.4468 17.46552 6611.157       484.1257 6611.157       484.1257 0.000000       0.000000 473.4468 17.46552 ?        ?        0.000000       17.46552 
1 1 1 7   2  3  o 606.3956 21.11314 10869.86       749.7151 10869.86       749.7151 0.000000       0.000000 606.3956 21.11314 ?        ?        0.000000       21.11314 
1 1 1 7   2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   2  6  o 270.1949 11.24386 2150.083       177.7841 2150.083       177.7841 0.000000       0.000000 270.1949 11.24386 ?        ?        0.000000       11.24386 
1 1 1 7   2  7  o 135.6210 15.06950 548.5906       117.8393 548.5906       117.8393 0.000000       0.000000 135.6210 15.06950 ?        ?        0.000000       15.06950 
1 1 1 7   2  8  o 402.7496 6.826713 4761.450       161.2491 4648.172       267.4716 4826.127       202.1061 397.3899 11.48858 405.3605 8.501343 -7.970612      14.29197 
1 1 1 7   2  9  o 257.6607 6.202586 1948.366       93.72845 2006.711       162.1080 1919.067       114.8766 261.0716 10.60962 255.5461 7.673688 5.525482       13.09388 
1 1 1 7   2  10 o 410.5112 6.904704 4946.002       166.2343 4568.325       264.4582 5192.707       213.7398 394.0566 11.45537 420.5178 8.666634 -26.46124      14.36440 
1 1 1 7   2  11 o 347.5070 7.792058 3544.490       158.8057 3573.834       231.0020 3518.194       218.6751 348.5795 11.31460 345.8997 10.79271 2.679840       15.63658 
1 1 1 7   2  12 f 556.6646 8.414045 9094.879       274.6938 8195.331       415.5312 9793.133       366.0988 527.8831 13.43285 577.4699 10.80982 -49.58679      17.24221 
1 1 1 7   2  13 o 189.5272 7.368033 1055.531       81.74207 936.3835       134.7135 1124.964       102.8375 178.0653 12.98909 195.5753 8.989799 -17.51006      15.79661 
1 1 1 7   2  14 o 804.8475 14.03306 19031.58       662.3943 0.000000       0.000000 19031.58       662.3943 ?        ?        804.8475 14.03306 0.000000       14.03306 
1 1 1 7   2  15 o 75.99947 15.25477 175.8073       65.62801 211.7808       97.25188 145.7273       88.92952 83.17180 20.15177 69.76667 20.43034 13.40513       28.69656 
1 1 1 7   2  16 o 979.2722 11.86040 28159.57       681.1664 28199.41       964.4752 28119.92       962.1586 979.2873 16.79308 977.9087 16.77636 1.378601       23.73719 
1 1 1 7   2  17 o 380.0584 6.677590 4237.607       148.8403 4314.605       213.5619 4164.883       207.5509 383.4056 9.497619 376.6983 9.394644 6.707275       13.35905 
1 1 1 7   2  18 o 485.9881 7.335464 6929.895       209.0758 6939.745       295.5695 6920.030       295.7863 486.1913 10.36578 485.4989 10.38818 0.6923218      14.67527 
1 1 1 7   2  19 o 520.4432 7.516335 7947.984       229.4194 8004.788       327.4329 7893.205       321.5432 522.1216 10.69301 518.4774 10.57448 3.644165       15.03862 
1 1 1 7   2  20 o 346.2589 6.535088 3517.724       132.7097 3515.987       189.8992 3519.383       185.5367 345.9463 9.368366 346.1284 9.147930 -0.1820984     13.09393 
1 1 1 7   2  21 o 421.3330 6.564694 5208.910       162.2148 5234.523       231.5155 5184.208       227.3539 422.2301 9.349325 420.2031 9.225558 2.027039       13.13472 
1 1 1 7   2  22 o 490.1131 6.954507 7049.834       199.9002 7021.265       281.4977 7078.898       283.9210 488.9147 9.817281 490.9135 9.861480 -1.998749      13.91502 
1 1 1 7   2  23 o 282.0854 6.266217 2335.216       103.6660 2599.273       158.1237 2136.168       137.2864 297.3391 9.078278 269.5567 8.695518 27.78238       12.57088 
1 1 1 7   2  24 o 472.0559 6.795347 6541.544       188.1289 6881.768       280.7708 6264.349       253.4334 483.8812 9.893789 461.7207 9.359097 22.16049       13.61910 
1 1 1 7   2  25 o 237.3377 6.335556 1654.794       88.10759 1666.705       126.9682 1643.732       122.3652 237.9604 9.114719 236.3384 8.843815 1.622025       12.70005 
1 1 1 7   2  26 o 498.1149 6.926277 7286.979       202.3392 7206.483       283.4709 7370.594       288.9082 494.9804 9.764946 500.5728 9.841065 -5.592346      13.86365 
1 1 1 7   2  27 o 625.2721 9.247206 11499.95       339.1018 11800.01       431.6107 11016.00       548.1310 632.8115 11.62967 610.1492 15.32999 22.66229       19.24208 
1 1 1 7   2  28 o 126.2944 9.297473 471.8564       68.38247 502.1327       102.5854 447.6454       91.73631 129.6668 13.69657 122.4717 12.96869 7.195015       18.86221 
1 1 1 7   2  29 o 166.7123 7.627503 818.7938       74.37868 814.3173       104.4996 823.3901       105.8889 165.8687 10.80110 166.7820 10.88504 -0.9132996     15.33454 
1 1 1 7   2  30 o 140.5535 9.301047 584.1586       76.23849 527.4088       116.7976 626.2880       100.6340 132.5354 15.30726 145.1810 11.92409 -12.64565      19.40351 
1 1 1 7   2  31 o 171.6385 7.812644 868.1374       78.43736 991.2092       113.2560 754.6925       108.7363 183.0684 10.59392 159.4907 11.70644 23.57765       15.78834 
1 1 1 7   2  32 o 150.2753 9.887115 668.0524       86.65394 634.7154       122.8428 701.0704       122.2537 145.7010 14.57122 153.3530 13.73853 -7.651993      20.02667 
1 1 1 7   2  33 o 315.4830 6.905383 2925.149       127.7657 2977.014       182.6798 2875.485       178.7599 317.7549 9.814514 312.2916 9.772242 5.463257       13.84996 
1 1 1 7   2  34 o 102.9382 14.98040 320.5835       87.78626 386.5168       129.1091 263.8921       119.7190 111.9922 20.40876 91.91724 22.41322 20.07500       30.31286 
1 1 1 7   2  35 o 56.35576 20.08647 82.60168       83.68214 109.9482       123.2228 59.19427       114.0031 66.29873 24.27283 57.75628 22.80238 8.542450       33.30344 
1 1 1 7   2  36 o 307.6303 7.017488 2784.103       126.6080 2961.425       184.7462 2627.079       173.8516 316.6030 9.962099 298.1787 9.955452 18.42426       14.08384 
1 1 1 7   2  37 o 211.0790 8.248324 1315.005       101.9118 1381.399       146.1698 1252.202       142.1637 215.6789 11.59845 205.2560 11.86030 10.42284       16.58888 
1 1 1 7   2  38 o 228.5030 7.893843 1540.563       105.6278 1619.412       155.9304 1473.698       143.5918 233.5111 11.42068 222.8306 11.02184 10.68054       15.87176 
1 1 1 7   2  39 o 212.5481 8.927964 1336.802       111.0432 1504.245       160.3997 1182.693       153.8807 224.6272 12.22165 198.7964 13.27459 25.83084       18.04393 
1 1 1 7   2  40 o 139.6141 12.55766 586.0037       101.7251 597.7496       139.0361 572.4730       149.2257 139.4953 17.37011 135.7716 19.28226 3.723724       25.95238 
1 1 1 7   2  41 o 138.9219 12.55835 582.5950       101.2145 417.3096       138.8394 770.0671       147.8644 114.1412 21.52979 158.5063 16.13071 -44.36510      26.90227 
1 1 1 7   2  42 o 77.44701 19.71013 193.8179       89.73575 139.7740       127.6801 246.5700       126.1449 69.07532 24.78926 86.28639 24.03778 -17.21107      34.53002 
1 1 1 7   2  43 o 63.77238 21.40491 125.1578       94.43021 -31.84215      139.6550 257.4002       128.1717 51.04235 22.81230 87.62540 24.16169 -36.58305      33.22932 
1 1 1 7   2  44 o 186.3253 8.948707 1036.818       97.50148 1129.162       147.5242 965.1939       129.9227 192.4866 13.14702 178.2235 12.50940 14.26305       18.14743 
1 1 1 7   2  45 o 39.59499 17.94230 -37.51232      89.83644 16.70888       136.9874 -78.42850      118.9991 54.22794 23.45903 42.75668 19.83882 11.47125       30.72303 
1 1 1 7   2  46 o 113.6880 14.35286 403.5737       93.56944 465.1364       136.7598 349.3923       128.2994 118.7947 20.36194 101.6020 22.15706 17.19273       30.09226 
1 1 1 7   2  47 o 80.84708 20.95235 222.1029       100.1495 260.1689       144.8096 187.2033       138.6562 85.15211 26.33026 74.18048 25.90654 10.97163       36.93821 
1 1 1 7   2  48 o 139.0185 13.27948 600.3497       106.9548 514.9115       158.5457 671.7029       144.8890 122.2140 22.96277 144.2911 17.47746 -22.07706      28.85741 
1 1 1 7   2  49 o 85.79181 21.56088 255.3891       108.3409 254.9238       112.4968 261.3393       402.3114 85.32934 22.25273 87.18816 38.85935 -1.858818      44.77983 
1 1 1 7   2  50 o 137.8014 16.45067 611.5069       130.3270 611.8833       135.3973 606.7621       480.7415 137.2987 17.19060 103.7050 44.39194 33.59367       47.60422 
1 1 1 7   3  0  o 1012.372 23.44084 30296.42       1391.758 29659.41       1934.082 30980.51       2004.280 997.1833 33.11710 1018.928 33.58599 -21.74506      47.16737 
1 1 1 7   3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3  2  o 555.0988 13.80761 9062.341       449.5101 9357.722       649.1265 8790.188       623.0799 562.8795 19.69396 545.5601 19.50518 17.31940       27.71830 
1 1 1 7   3  3  o 170.8806 14.31748 865.0907       142.1681 865.0907       142.1681 0.000000       0.000000 170.8806 14.31748 ?        ?        0.000000       14.31748 
1 1 1 7   3  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3  6  o 227.3460 11.57465 1523.837       153.8204 1523.837       153.8204 0.000000       0.000000 227.3460 11.57465 ?        ?        0.000000       11.57465 
1 1 1 7   3  7  o 87.19481 15.79438 231.0170       77.79580 103.4450       108.3860 366.5823       111.7300 63.91702 22.85116 110.0284 17.93165 -46.11137      29.04686 
1 1 1 7   3  8  o 86.65927 14.50119 227.1448       71.09843 198.7314       103.9614 252.1109       97.45084 80.53642 21.57679 90.70797 18.93123 -10.17155      28.70452 
1 1 1 7   3  9  o 289.3798 6.079105 2457.441       103.1712 2416.326       174.6383 2479.483       127.8707 286.5533 10.40892 290.5205 7.511180 -3.967224      12.83602 
1 1 1 7   3  10 o 266.7232 5.483496 2087.250       85.77661 2167.515       126.6087 2019.152       116.6191 271.6068 7.956840 262.1622 7.592883 9.444580       10.99833 
1 1 1 7   3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   3  12 o 413.9696 8.514804 5029.662       206.7253 0.000000       0.000000 5029.662       206.7253 ?        ?        413.9696 8.514804 0.000000       8.514804 
1 1 1 7   3  13 o 1008.976 17.27768 29945.05       1022.390 0.000000       0.000000 29945.05       1022.390 ?        ?        1008.976 17.27768 0.000000       17.27768 
1 1 1 7   3  14 o 608.9844 11.21118 10888.18       400.4127 0.000000       0.000000 10888.18       400.4127 ?        ?        608.9844 11.21118 0.000000       11.21118 
1 1 1 7   3  15 o 610.8833 7.905199 10949.54       283.2185 10863.84       396.0892 11039.20       405.1265 608.3117 11.10239 613.1909 11.26534 -4.879150      15.81679 
1 1 1 7   3  16 o 302.8155 6.103753 2689.905       108.3991 2685.471       151.2607 2694.585       155.4229 302.3924 8.537675 302.8935 8.758525 -0.5010986     12.23126 
1 1 1 7   3  17 o 796.8972 9.981813 18641.26       466.5114 18531.81       653.5231 18754.99       666.1517 794.1528 14.03157 798.8989 14.21775 -4.746094      19.97572 
1 1 1 7   3  18 o 491.6837 7.485147 7093.503       215.8423 7045.114       302.8368 7143.464       307.7160 489.8548 10.54122 493.2567 10.63718 -3.401825      14.97554 
1 1 1 7   3  19 o 427.5231 7.087789 5362.913       177.7137 5314.459       250.1724 5412.269       252.4938 425.4594 10.02607 429.3567 10.02725 -3.897247      14.17984 
1 1 1 7   3  20 o 368.4638 6.518288 3983.381       140.8571 3778.588       193.0721 4216.417       205.9557 358.6515 9.186583 378.9809 9.266292 -20.32944      13.04827 
1 1 1 7   3  21 o 138.8021 10.12299 568.8181       81.83879 652.6110       122.6770 501.6238       109.8564 148.2748 14.28392 129.7600 14.69387 18.51476       20.49244 
1 1 1 7   3  22 o 212.9645 7.276077 1332.752       90.74376 1345.898       132.5926 1321.170       124.4557 213.7620 10.60956 211.8333 10.04637 1.928665       14.61138 
1 1 1 7   3  23 o 682.3209 8.688825 13673.38       347.6964 13723.01       493.0708 13624.29       490.3742 683.0219 12.30904 680.5647 12.28592 2.457214       17.39127 
1 1 1 7   3  24 o 124.2570 10.31687 457.0149       74.50540 355.7540       110.0303 542.7590       101.2496 108.3220 17.94781 135.1672 12.92979 -26.84521      22.12020 
1 1 1 7   3  25 o 246.2698 6.220303 1781.525       89.76880 1790.871       128.3495 1772.576       125.5997 246.6947 8.885743 245.4439 8.739357 1.250870       12.46326 
1 1 1 7   3  26 o 414.3329 8.796257 5046.771       213.7459 5265.310       333.1929 4893.941       278.6356 422.2838 13.47091 407.4565 11.67220 14.82724       17.82430 
1 1 1 7   3  27 o 247.8788 6.178263 1804.280       89.81653 1848.228       130.2332 1764.417       124.0330 250.5382 8.877368 244.8101 8.652486 5.728149       12.39650 
1 1 1 7   3  28 o 71.50758 15.59885 157.2099       63.57261 156.4794       95.01405 157.8021       85.54081 71.78975 21.14344 71.67909 19.72848 0.1106567      28.91812 
1 1 1 7   3  29 o 440.4207 6.459776 5698.553       166.8537 5700.073       236.2610 5697.041       235.6735 440.0670 9.154249 439.9536 9.133839 0.1134033      12.93164 
1 1 1 7   3  30 f 149.1709 8.691550 657.0212       75.70884 790.3978       112.0091 544.8304       102.7288 163.2304 11.77966 135.1424 13.12650 28.08794       17.63705 
1 1 1 7   3  31 o 394.0567 6.460823 4562.376       149.3128 4792.490       220.5056 4367.521       202.9105 403.4444 9.319345 385.1975 8.981947 18.24689       12.94317 
1 1 1 7   3  32 o 28.81406 14.19742 -182.3197      85.33261 -262.0820      122.3551 -106.7841      119.0691 34.39726 16.95837 42.30966 19.70366 -7.912395      25.99655 
1 1 1 7   3  33 o 389.1206 9.776361 4462.941       222.9297 4523.710       282.4759 4362.589       362.9965 391.1729 12.32834 383.0083 16.19665 8.164581       20.35484 
1 1 1 7   3  34 o 281.4862 6.722579 2328.832       110.9797 2398.892       161.2710 2265.809       152.9568 285.1783 9.656423 277.1851 9.422804 7.993195       13.49206 
1 1 1 7   3  35 o 292.5723 6.754004 2516.657       115.8898 2766.269       175.9608 2325.438       154.0098 306.1398 9.813116 280.7454 9.366853 25.39441       13.56596 
1 1 1 7   3  36 o 329.2755 6.668691 3188.780       128.7806 3204.144       185.5450 3174.500       178.8841 329.4056 9.614634 327.9481 9.310133 1.457550       13.38356 
1 1 1 7   3  37 o 85.96030 17.64971 229.3498       85.99680 172.2746       124.2487 281.8344       119.1473 75.73464 24.51421 94.57391 21.91139 -18.83927      32.87941 
1 1 1 7   3  38 o 191.2750 8.636225 1081.471       96.62980 1163.131       136.7656 1000.075       136.5450 197.6987 11.85006 183.0361 12.80073 14.66261       17.44370 
1 1 1 7   3  39 o 344.2810 7.275002 3492.943       146.8915 3601.688       212.1161 3392.738       203.6164 348.5585 10.38801 338.3281 10.27372 10.23044       14.61027 
1 1 1 7   3  40 o 161.0013 10.67709 773.1411       100.2472 704.8611       143.5587 838.1227       140.0484 151.9611 16.36592 166.5154 14.48478 -14.55431      21.85526 
1 1 1 7   3  41 o 177.3679 10.10168 938.5764       104.6454 1005.876       147.2390 869.8843       148.7545 182.2829 13.87723 168.9185 15.17722 13.36444       20.56515 
1 1 1 7   3  42 o 42.77434 18.67089 -8.674770      88.40513 -64.08585      127.2483 43.02401       122.9119 46.22214 21.10386 55.67602 23.05055 -9.453884      31.25221 
1 1 1 7   3  43 o 34.07467 16.05486 -82.73809      83.04128 -135.7668      112.9473 -20.34881      122.5111 37.88073 18.09815 48.77752 21.60843 -10.89679      28.18629 
1 1 1 7   3  44 f 79.45387 19.27795 206.3465       88.90497 197.0888       132.7056 213.8850       119.7512 77.13750 25.35919 79.83357 23.79395 -2.696075      34.77414 
1 1 1 7   3  45 o 81.25703 18.79439 216.5437       87.78152 169.6622       128.5690 257.4814       120.1426 72.19056 24.96169 86.90019 23.15653 -14.70963      34.04865 
1 1 1 7   3  46 o 79.45859 19.48018 209.7990       90.06731 270.0721       135.4420 162.0153       120.5956 87.75648 25.06973 70.28993 24.18084 17.46655       34.83108 
1 1 1 7   3  47 o 203.6184 12.27493 1269.802       145.9033 1180.174       159.0550 1745.516       366.4383 195.0385 13.99827 219.0945 29.24793 -24.05595      32.42519 
1 1 1 7   3  48 o 121.4599 15.52445 468.7858       108.0612 471.8181       113.0378 436.6053       368.2438 121.4021 16.28670 98.58844 40.25744 22.81364       43.42716 
1 1 1 7   3  49 o 80.74836 22.65086 229.5493       111.5958 210.4968       116.2042 455.5670       400.2371 77.11329 23.53979 97.81490 41.12580 -20.70161      47.38621 
1 1 1 7   3  50 o 116.1894 18.59776 447.1557       122.4570 465.5122       126.5578 177.5898       484.9824 118.4067 18.85660 84.92240 39.62086 33.48426       43.87920 
1 1 1 7   4  0  o 735.7379 17.46162 15950.29       753.4565 15696.22       1051.776 16218.12       1079.877 727.6989 24.68026 739.6310 24.93043 -11.93213      35.08051 
1 1 1 7   4  1  o 582.2679 20.38189 10020.67       694.9402 0.000000       0.000000 10020.67       694.9402 ?        ?        582.2679 20.38189 0.000000       20.38189 
1 1 1 7   4  2  o 645.9130 15.64987 12284.27       592.8369 13254.27       884.7642 11493.94       798.6320 669.0806 22.57986 623.1982 21.88490 45.88232       31.44518 
1 1 1 7   4  3  o 754.4799 25.49800 16903.55       1126.626 16903.55       1126.626 0.000000       0.000000 754.4799 25.49800 ?        ?        0.000000       25.49800 
1 1 1 7   4  4  o 207.1363 13.60017 1268.013       164.3016 1268.013       164.3016 0.000000       0.000000 207.1363 13.60017 ?        ?        0.000000       13.60017 
1 1 1 7   4  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   4  6  o 99.58416 19.93171 303.5702       112.3431 303.5702       112.3431 0.000000       0.000000 99.58416 19.93171 ?        ?        0.000000       19.93171 
1 1 1 7   4  7  o 298.9289 10.45583 2629.905       183.0238 2629.905       183.0238 0.000000       0.000000 298.9289 10.45583 ?        ?        0.000000       10.45583 
1 1 1 7   4  8  o 147.4981 7.845633 640.5997       67.62384 756.9451       117.6047 583.1302       82.65491 159.8980 12.64381 140.5041 10.09800 19.39392       16.18133 
1 1 1 7   4  9  o 249.1841 6.043696 1822.074       88.32291 1764.563       153.7828 1850.383       107.8924 244.8009 10.73747 250.9636 7.338315 -6.162689      13.00554 
1 1 1 7   4  10 o 224.3133 6.366541 1477.643       83.66997 1238.715       140.3894 1609.259       104.1973 204.9652 11.72790 234.0281 7.601767 -29.06288      13.97607 
1 1 1 7   4  11 o 410.5309 6.863126 4945.294       165.2412 5041.126       293.7308 4900.923       199.8669 414.0320 12.10966 408.6223 8.340040 5.409668       14.70374 
1 1 1 7   4  12 o 561.7000 10.38432 9263.322       342.0842 0.000000       0.000000 9263.322       342.0842 ?        ?        561.7000 10.38432 0.000000       10.38432 
1 1 1 7   4  13 o 377.3372 6.902292 4177.233       152.7473 3740.200       242.1422 4466.084       196.8565 356.7097 11.58996 390.1135 8.604157 -33.40378      14.43463 
1 1 1 7   4  14 o 1168.609 19.90030 40197.34       1363.890 0.000000       0.000000 40197.34       1363.890 ?        ?        1168.609 19.90030 0.000000       19.90030 
1 1 1 7   4  15 o 215.4521 10.14241 1365.557       127.7973 1243.142       161.4463 1570.975       209.1375 205.2775 13.48490 230.6712 15.55010 -25.39366      20.58272 
1 1 1 7   4  16 o 660.3414 8.527191 12795.99       330.2365 12775.54       465.0430 12816.79       469.0324 659.5766 12.02202 660.6337 12.10575 -1.057068      17.06101 
1 1 1 7   4  17 o 449.0592 8.146490 5917.410       214.5481 5813.686       360.6543 5974.222       266.9138 444.5982 13.84850 451.1256 10.08842 -6.527405      17.13351 
1 1 1 7   4  18 o 710.7192 9.236927 14826.31       385.0136 14566.30       532.7022 15110.68       557.0998 704.1391 12.89958 717.1396 13.24582 -13.00049      18.48921 
1 1 1 7   4  19 o 261.6771 7.675134 2011.114       117.6610 1800.639       164.9955 2228.900       167.8365 247.3431 11.40492 275.3206 10.41312 -27.97749      15.44361 
1 1 1 7   4  20 o 270.3363 6.945182 2145.829       110.0218 2383.111       168.2133 1968.430       145.4464 284.7050 10.09025 258.7526 9.601115 25.95245       13.92819 
1 1 1 7   4  21 o 237.7590 6.986410 1660.345       97.31288 1937.378       150.6805 1462.122       127.4584 256.6417 10.03036 222.9174 9.773062 33.72430       14.00431 
1 1 1 7   4  22 o 490.1450 7.010432 7051.157       201.5208 7086.494       286.9691 7016.776       283.0581 491.1465 9.962618 488.7323 9.875383 2.414215       14.02772 
1 1 1 7   4  23 o 466.7464 6.767845 6394.474       185.2601 6617.913       271.6306 6200.141       253.3212 474.5820 9.759261 459.3916 9.402385 15.19043       13.55168 
1 1 1 7   4  24 o 530.6152 7.200084 8266.796       224.0618 8525.137       327.4692 8039.386       307.2397 538.4716 10.36948 522.9523 10.01762 15.51929       14.41801 
1 1 1 7   4  25 o 275.5235 7.207555 2230.925       116.3655 2206.398       211.7385 2241.538       139.2853 273.2953 13.24992 276.0501 8.613877 -2.754883      15.80377 
1 1 1 7   4  26 o 87.28288 12.85069 229.3520       63.81510 229.1958       96.70666 229.4724       84.93187 86.18412 19.57976 86.52853 17.34093 -0.3444138     26.15482 
1 1 1 7   4  27 o 119.5383 10.27935 423.7309       71.36563 371.3099       106.3350 466.6950       96.26686 110.7157 16.91197 125.0497 13.33167 -14.33406      21.53481 
1 1 1 7   4  28 o 169.2920 7.582010 844.0892       75.08755 831.1298       112.2584 854.5815       101.0098 167.5094 11.49663 170.0489 10.17489 -2.539566      15.35255 
1 1 1 7   4  29 o 166.2567 7.515541 814.2556       73.09128 896.9915       109.1847 747.0712       98.38949 174.1197 10.74444 158.8617 10.62138 15.25795       15.10817 
1 1 1 7   4  30 o 426.1275 6.471428 5335.243       161.7298 5274.468       226.8139 5398.106       230.6761 423.2803 9.136735 428.2037 9.185473 -4.923370      12.95580 
1 1 1 7   4  31 o 160.8882 8.841161 764.1098       83.10195 607.8990       114.5531 937.6459       120.7386 142.6843 13.86383 177.8783 11.63762 -35.19400      18.10083 
1 1 1 7   4  32 o 228.6426 7.622638 1538.802       102.0717 1673.292       146.2038 1410.921       142.5672 238.0414 10.49845 218.4400 11.16554 19.60133       15.32602 
1 1 1 7   4  33 o 93.07852 17.64638 266.0022       92.80440 204.7804       127.9612 333.9385       134.7958 81.90487 24.63933 103.5066 22.82040 -21.60173      33.58373 
1 1 1 7   4  34 o 148.8492 10.43997 656.5297       90.55939 778.8157       134.5094 555.1459       122.4754 161.4927 14.35130 135.8674 15.65627 25.62535       21.23861 
1 1 1 7   4  35 o 274.2546 6.943210 2213.206       111.5874 2268.101       163.9715 2165.853       152.2920 277.1086 10.10638 270.8779 9.601525 6.230713       13.94017 
1 1 1 7   4  36 o 282.4051 6.948840 2346.304       115.0894 2423.192       167.3182 2277.257       158.5570 286.3293 9.979094 277.6122 9.753749 8.717163       13.95414 
1 1 1 7   4  37 o 91.97843 15.68709 259.3016       81.58810 272.5453       115.3905 246.0613       115.3755 93.03178 21.56952 88.30073 22.28243 4.731056       31.01211 
1 1 1 7   4  38 o 40.34486 17.99334 -31.32298      86.40451 -60.89734      128.7720 -7.103773      116.5317 47.72218 21.56725 50.05300 21.64483 -2.330822      30.55560 
1 1 1 7   4  39 o 87.95728 19.31276 243.4017       96.89016 242.2556       143.8834 244.3526       131.0594 87.27316 26.09825 87.46786 24.55075 -0.1947098     35.83096 
1 1 1 7   4  40 o 260.2041 7.422485 1999.669       113.1540 1932.776       158.6025 2069.015       161.4843 254.8545 10.63463 263.7602 10.46002 -8.905716      14.91668 
1 1 1 7   4  41 f 40.39484 18.16856 -36.10683      90.13466 5.054072       132.5216 -71.53930      122.9547 53.62002 23.13430 44.94371 20.60455 8.676304       30.97972 
1 1 1 7   4  42 o 186.4466 12.51775 1050.149       136.0841 1388.138       332.4997 982.1424       149.1478 202.9409 28.73954 179.4883 14.28652 23.45270       32.09464 
1 1 1 7   4  43 o 127.2653 11.96354 491.3536       88.24631 436.2002       120.1401 555.9771       130.0460 117.3999 18.02405 133.2888 17.02422 -15.88895      24.79295 
1 1 1 7   4  44 o 98.60963 16.53444 307.9504       92.24063 144.4978       134.3342 453.7676       126.8806 69.33469 25.35009 118.9835 18.80697 -49.64883      31.56469 
1 1 1 7   4  45 o 95.66999 15.93374 290.3140       86.25845 324.3955       134.3977 266.4410       112.4827 97.29879 23.76105 88.97816 21.74286 8.320625       32.20775 
1 1 1 7   4  46 o 101.3965 17.11039 330.4051       98.13222 339.3753       101.9111 216.1334       363.7388 102.5556 17.57594 87.54659 38.04753 15.00897       41.91096 
1 1 1 7   4  47 o 104.8426 17.41852 356.0035       103.3458 360.6772       107.8063 303.0044       363.0342 105.1401 18.13852 91.11957 38.77763 14.02052       42.81017 
1 1 1 7   4  48 o 137.1065 13.49449 585.3146       107.1041 566.7511       112.1027 779.6591       362.7210 134.3304 14.45687 127.0795 41.93240 7.250885       44.35456 
1 1 1 7   4  49 o 90.11005 21.32029 280.6884       110.9020 301.3882       115.1811 17.52187       410.6887 93.35215 21.48418 76.79951 36.03408 16.55264       41.95265 
1 1 1 7   4  50 o 70.67748 23.69715 174.0311       115.7409 190.2468       118.4034 -174.4079      548.8568 73.35588 23.94433 77.05801 37.55399 -3.702133      44.53800 
1 1 1 7   5  0  f 630.0421 15.24524 11687.97       563.3189 11310.24       776.0425 12108.68       818.9985 618.1816 21.43762 639.5361 21.86789 -21.35449      30.62313 
1 1 1 7   5  1  o 587.8443 20.49927 10221.87       705.6447 0.000000       0.000000 10221.87       705.6447 ?        ?        587.8443 20.49927 0.000000       20.49927 
1 1 1 7   5  2  o 582.1889 14.36881 9977.546       490.6088 11348.69       758.1697 8989.801       643.4988 619.2308 20.90675 551.2881 19.93583 67.94269       28.88823 
1 1 1 7   5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   5  4  o 1048.942 34.93747 33126.95       2146.282 33126.95       2146.282 0.000000       0.000000 1048.942 34.93747 ?        ?        0.000000       34.93747 
1 1 1 7   5  5  o 179.4368 9.694543 948.8328       101.6421 948.8328       101.6421 0.000000       0.000000 179.4368 9.694543 ?        ?        0.000000       9.694543 
1 1 1 7   5  6  o 483.4211 13.17960 6884.705       373.3129 6884.705       373.3129 0.000000       0.000000 483.4211 13.17960 ?        ?        0.000000       13.17960 
1 1 1 7   5  7  f 249.7688 8.158806 1833.940       119.3527 1860.494       155.1881 1795.492       186.7373 251.3626 10.55052 246.6615 12.95401 4.701111       16.70688 
1 1 1 7   5  8  o 638.1907 9.323539 11964.19       348.9649 11934.02       600.8638 11979.54       428.6689 636.0770 16.12003 638.3159 11.45080 -2.238953      19.77312 
1 1 1 7   5  9  o 144.9506 7.791553 618.5598       65.99264 723.1368       126.5644 579.5118       77.33789 156.1463 13.96804 140.1488 9.464702 15.99750       16.87266 
1 1 1 7   5  10 f 225.8668 6.274118 1498.016       83.02995 1550.850       149.5800 1474.488       99.82053 229.4886 11.14713 224.0123 7.609014 5.476334       13.49650 
1 1 1 7   5  11 o 713.5536 12.60751 14960.30       527.6021 15043.91       749.5122 14878.18       742.8168 714.6006 17.89809 710.6625 17.83656 3.938171       25.26825 
1 1 1 7   5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   5  13 o 618.7487 9.244918 11236.00       335.4810 10417.23       526.2778 11796.46       435.4161 595.1749 15.08934 633.8325 11.71331 -38.65759      19.10209 
1 1 1 7   5  14 o 595.6982 7.730730 10411.65       270.0830 10376.14       378.0584 10448.67       385.9747 594.5180 10.84285 596.5808 11.03161 -2.062805      15.46816 
1 1 1 7   5  15 o 340.5064 9.058291 3405.057       180.7325 3307.484       237.1548 3540.230       279.1343 335.3904 12.07648 346.8707 13.74853 -11.48035      18.29927 
1 1 1 7   5  16 f 373.6293 6.523245 4095.347       142.9404 3977.018       197.5638 4225.335       207.0676 368.1148 9.151105 379.4275 9.305350 -11.31268      13.05114 
1 1 1 7   5  17 o 791.0559 10.00696 18369.67       464.2585 17993.68       636.7608 18796.36       678.3303 782.5311 13.87472 799.7231 14.46275 -17.19202      20.04193 
1 1 1 7   5  18 o 681.3414 8.946161 13625.43       357.4802 13629.46       504.5265 13621.37       506.5865 681.1307 12.62999 680.9230 12.68543 0.2077026      17.90074 
1 1 1 7   5  19 o 423.7568 6.969515 5268.882       173.2087 5400.238       252.5980 5152.304       237.9647 428.8660 10.04287 418.9239 9.685608 9.942139       13.95243 
1 1 1 7   5  20 f 521.0121 7.351200 7966.026       224.6242 7855.543       312.6514 8083.893       322.9311 517.1993 10.30747 524.6483 10.49521 -7.449036      14.71031 
1 1 1 7   5  21 o 196.3807 7.840225 1133.812       90.11643 1069.227       135.0085 1185.710       121.0232 190.3385 12.15795 200.6472 10.31920 -10.30870      15.94684 
1 1 1 7   5  22 f 1123.642 13.52739 37152.13       891.4412 37175.91       1261.168 37128.39       1260.209 1122.046 19.16512 1121.330 19.16279 0.7165527      27.10192 
1 1 1 7   5  23 o 508.5396 7.077368 7591.852       211.0800 7873.455       310.5843 7350.140       287.7465 517.5753 10.23188 500.1254 9.810263 17.44995       14.17507 
1 1 1 7   5  24 o 428.1065 6.499194 5380.157       163.1781 5499.201       237.1548 5273.125       224.8721 432.5664 9.348211 423.6112 9.051440 8.955200       13.01221 
1 1 1 7   5  25 o 262.1022 5.990736 2016.635       92.08763 2100.309       138.2475 1949.898       123.4656 267.1714 8.835164 257.4799 8.186618 9.691559       12.04495 
1 1 1 7   5  26 o 66.65775 16.34486 136.6772       63.39930 100.2745       98.07602 162.8084       83.09505 61.80295 21.77254 72.75703 19.19828 -10.95408      29.02787 
1 1 1 7   5  27 o 274.0958 5.961368 2206.028       95.82941 2241.037       141.8161 2176.610       130.0000 275.9070 8.775361 271.9808 8.159168 3.926270       11.98244 
1 1 1 7   5  28 o 124.9699 9.324732 462.1741       67.85008 486.4765       109.3198 446.9466       86.53441 127.3591 14.91824 122.4769 12.20965 4.882278       19.27769 
1 1 1 7   5  29 o 370.1572 6.171283 4024.793       133.9714 4106.308       194.8731 3951.740       184.4820 373.5395 8.895391 366.4869 8.583117 7.052521       12.36114 
1 1 1 7   5  30 o 123.4956 11.40237 453.7146       81.65221 517.0388       126.2674 408.2025       107.0459 130.8833 16.83939 116.2071 16.14202 14.67624       23.32659 
1 1 1 7   5  31 o 93.08311 15.31111 263.3855       80.68133 412.9994       114.4638 115.6553       113.7409 116.6627 17.24890 66.14683 23.43387 50.51591       29.09760 
1 1 1 7   5  32 o 59.22943 22.98387 68.61620       114.1713 30.79200       125.6446 247.8073       273.4747 56.53509 23.34620 97.84621 36.10328 -41.31112      42.99409 
1 1 1 7   5  33 o 302.7167 6.987448 2693.466       124.0525 2818.892       180.7255 2581.718       170.5866 309.1499 9.980893 295.8682 9.844675 13.28165       14.01912 
1 1 1 7   5  34 f 209.8893 7.847263 1297.835       96.42587 1519.973       149.4731 1139.495       126.1964 226.6311 11.28133 196.1931 11.01182 30.43803       15.76479 
1 1 1 7   5  35 o 198.8185 8.352427 1165.973       97.17429 1113.754       143.7598 1209.905       131.8604 193.5492 12.73548 202.0753 11.16975 -8.526138      16.93977 
1 1 1 7   5  36 o 299.7168 6.921365 2642.851       121.6615 2698.235       178.6217 2594.923       166.1638 302.1168 10.09530 296.3911 9.571733 5.725677       13.91162 
1 1 1 7   5  37 o 153.2911 9.892289 696.9910       88.45848 704.1611       126.9194 690.2180       123.3551 153.1447 14.29627 151.6745 14.02620 1.470215       20.02792 
1 1 1 7   5  38 o 280.7542 7.109579 2322.608       116.9691 2503.486       176.6451 2181.370       156.0934 290.7041 10.37761 271.4798 9.820024 19.22427       14.28732 
1 1 1 7   5  39 o 60.83278 21.20074 103.4002       92.83141 201.7365       146.3210 37.15424       120.0963 81.07199 26.62708 55.47578 22.85844 25.59621       35.09286 
1 1 1 7   5  40 o 176.9702 9.605158 931.1393       99.31715 1008.869       153.4298 875.0793       130.2992 182.6951 14.43691 170.5263 13.12969 12.16878       19.51443 
1 1 1 7   5  41 o 160.3587 10.39501 769.0595       97.23472 827.4086       144.5643 720.8548       131.3980 164.6058 15.14460 153.7141 14.75658 10.89168       21.14511 
1 1 1 7   5  42 o 135.7954 11.96988 557.7452       94.35430 542.6465       139.7285 570.4009       127.9256 131.1512 18.69472 135.5722 16.42375 -4.420929      24.88437 
1 1 1 7   5  43 o 109.8734 20.18680 390.1530       125.2879 -33.84746      318.6756 467.6721       136.2605 74.26050 33.70718 120.6477 19.95448 -46.38717      39.17085 
1 1 1 7   5  44 o 52.28027 20.23694 64.25288       88.34576 152.4222       136.2476 0.2882733      116.0486 70.50585 25.56710 49.19020 21.43288 21.31565       33.36234 
1 1 1 7   5  45 o 65.02554 20.31608 137.3808       85.96518 111.4324       88.45702 578.5783       364.7488 60.14465 20.70887 114.9353 41.81011 -54.79061      46.65772 
1 1 1 7   5  46 o 178.4155 10.51058 962.5941       109.4917 947.7411       114.4914 1121.604       374.6079 176.7207 11.10287 163.7729 39.46902 12.94772       41.00094 
1 1 1 7   5  47 o 47.44501 20.35016 16.50825       101.4023 -22.70743      105.5446 486.8857       365.5355 44.17161 19.78003 103.5715 40.84921 -59.39986      45.38620 
1 1 1 7   5  48 o 137.3883 13.54416 588.1198       107.7143 593.0706       112.6554 535.3664       367.7374 137.5998 14.16194 105.5463 41.16654 32.05346       43.53440 
1 1 1 7   5  49 o 76.08304 22.61758 203.4057       108.3130 224.3304       112.1871 -83.96165      415.7497 79.67521 22.83395 73.39081 34.96893 6.284401       41.76381 
1 1 1 7   5  50 o 65.08002 22.92067 141.0307       108.6869 168.2569       111.4105 -395.4674      494.5577 69.66087 23.24781 69.30260 34.15328 0.3582611      41.31473 
1 1 1 7   6  0  o 744.4885 17.66110 16356.44       771.1277 15334.55       1035.548 17628.41       1155.337 718.3160 24.61765 769.8034 25.62620 -51.48743      35.53492 
1 1 1 7   6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   6  2  o 347.6220 9.989434 3553.883       203.4454 3715.788       292.4653 3402.085       283.1895 354.9555 14.07706 339.5929 14.25064 15.36261       20.03108 
1 1 1 7   6  3  o 212.2700 9.028038 1325.984       112.1346 1336.109       155.1949 1314.924       162.2016 212.7375 12.49392 210.9582 13.17595 1.779312       18.15775 
1 1 1 7   6  4  o 198.4231 9.275527 1159.238       107.6410 1159.238       107.6410 0.000000       0.000000 198.4231 9.275527 ?        ?        0.000000       9.275527 
1 1 1 7   6  5  o 472.7411 10.43188 6569.444       289.2255 6569.444       289.2255 0.000000       0.000000 472.7411 10.43188 ?        ?        0.000000       10.43188 
1 1 1 7   6  6  o 296.5208 8.710332 2584.764       151.3106 2584.764       151.3106 0.000000       0.000000 296.5208 8.710332 ?        ?        0.000000       8.710332 
1 1 1 7   6  7  o 102.3023 14.91061 314.6885       86.83073 339.3141       109.6446 273.2668       142.2026 105.7153 18.34994 94.29389 25.22281 11.42142       31.19151 
1 1 1 7   6  8  o 263.7721 6.168610 2041.666       95.42598 2058.720       165.1104 2033.111       116.9335 264.4724 10.66683 263.0623 7.587239 1.410065       13.08998 
1 1 1 7   6  9  o 374.3245 6.597095 4111.665       144.8276 4397.170       266.8609 3992.466       172.4300 386.6313 11.78269 368.7999 7.972078 17.83139       14.22624 
1 1 1 7   6  10 o 502.9732 7.792244 7424.469       229.8571 6982.938       371.7348 7697.783       292.4712 487.2587 13.02004 512.0297 9.739515 -24.77100      16.25976 
1 1 1 7   6  11 o 612.7238 9.052260 11019.43       325.2912 11100.55       570.2350 10980.29       396.0534 614.1764 15.84430 611.4942 11.04360 2.682190       19.31329 
1 1 1 7   6  12 o 396.1920 8.728801 4606.473       202.8200 4736.260       286.9951 4476.982       286.6669 401.4016 12.20534 390.2224 12.54236 11.17914       17.50089 
1 1 1 7   6  13 o 767.4539 11.00756 17291.36       495.4434 16706.01       817.3373 17631.38       622.9353 753.5560 18.49419 774.7151 13.71041 -21.15912      23.02195 
1 1 1 7   6  14 o 432.3485 9.297795 5485.907       235.7570 5214.165       307.1001 5875.894       367.8964 421.1833 12.44615 446.9952 14.05115 -25.81186      18.77076 
1 1 1 7   6  15 o 574.9457 7.693106 9699.054       259.4055 9665.105       363.3326 9734.351       370.4813 573.7753 10.79722 575.8162 10.97064 -2.040894      15.39269 
1 1 1 7   6  16 o 327.2522 10.42434 3147.136       199.8146 2961.726       253.6463 3450.394       324.3894 317.2052 13.66652 342.1752 16.21079 -24.97003      21.20291 
1 1 1 7   6  17 o 459.0694 7.350921 6183.513       197.9113 6302.044       286.4204 6075.209       273.7847 463.3032 10.54115 454.9032 10.26218 8.399963       14.71150 
1 1 1 7   6  18 o 598.4760 8.236561 10511.47       289.0967 10400.08       404.8035 10627.42       413.0091 595.0615 11.59930 601.5211 11.70734 -6.459656      16.48046 
1 1 1 7   6  19 o 303.9403 7.897715 2712.933       140.6605 2431.373       236.1395 2867.778       175.1183 287.2412 14.06024 312.3942 9.569526 -25.15305      17.00783 
1 1 1 7   6  20 o 538.1891 7.429460 8500.400       234.4999 8646.273       336.3097 8362.368       327.1460 542.5643 10.56909 533.5916 10.45399 8.972717       14.86579 
1 1 1 7   6  21 o 483.1336 7.026783 6850.493       199.1014 7315.996       300.5588 6486.484       265.7814 499.0396 10.26937 469.9473 9.643283 29.09225       14.08733 
1 1 1 7   6  22 o 465.6991 6.830096 6365.508       186.5446 6891.254       286.6249 5979.161       245.7051 484.2846 10.09166 451.1685 9.285918 33.11612       13.71386 
1 1 1 7   6  23 o 662.6477 8.519116 12897.57       331.0761 13218.18       480.2749 12607.27       457.0151 670.2450 12.21816 654.6301 11.90376 15.61493       17.05822 
1 1 1 7   6  24 o 510.2453 7.055793 7644.647       211.1424 7754.778       302.6926 7540.277       294.6699 513.5557 10.04994 506.4207 9.921417 7.135010       14.12218 
1 1 1 7   6  25 f 316.5555 5.885171 2941.621       109.2596 3050.989       162.2583 2850.892       147.7864 322.0766 8.597768 311.3815 8.099535 10.69510       11.81203 
1 1 1 7   6  26 f 135.0440 8.689510 538.3901       68.45575 502.9024       105.9036 563.8598       89.71900 129.7518 14.14586 137.9184 11.18804 -8.166626      18.03545 
1 1 1 7   6  27 o 736.5774 9.230101 15962.22       398.7267 16453.81       586.1609 15538.86       543.9694 746.4742 13.38910 725.6454 12.78202 20.82886       18.51076 
1 1 1 7   6  28 o 53.20608 17.79595 79.38760       65.27811 10.60014       102.0180 127.0769       84.94398 49.30215 20.74804 65.28310 20.16265 -15.98095      28.93119 
1 1 1 7   6  29 o 221.3138 9.800597 1445.406       126.8917 1514.242       155.6470 1308.986       219.1169 226.2212 11.77209 208.9757 18.05536 17.24547       21.55407 
1 1 1 7   6  30 f 210.0234 6.923612 1297.802       85.16418 1287.216       123.9762 1307.262       117.1907 208.7626 10.15641 210.4770 9.518387 -1.714325      13.91950 
1 1 1 7   6  31 o 178.3471 8.197141 937.6185       85.50984 949.9657       127.7322 927.5912       115.1089 178.9503 12.24454 176.9964 11.14563 1.953918       16.55759 
1 1 1 7   6  32 o 490.9481 7.315808 7085.505       210.6437 7492.760       314.2854 6753.360       283.8278 504.1656 10.62920 478.7632 10.10843 25.40247       14.66834 
1 1 1 7   6  33 o 361.6574 7.726658 3846.624       163.8851 4064.946       275.0777 3726.488       204.0531 370.6583 12.67274 355.5184 9.795908 15.13983       16.01743 
1 1 1 7   6  34 o 279.0407 7.001230 2290.783       114.4852 2404.354       168.8150 2194.071       155.7822 285.3770 10.10246 272.6587 9.757730 12.71829       14.04539 
1 1 1 7   6  35 o 211.6508 7.944882 1320.494       98.44334 1328.277       149.1621 1314.487       131.0329 211.5554 12.07231 210.7328 10.63664 0.8226166      16.08971 
1 1 1 7   6  36 o 419.9076 6.967105 5188.037       171.5760 5137.215       242.9624 5238.595       242.3291 417.1165 9.931872 421.2477 9.808836 -4.131256      13.95906 
1 1 1 7   6  37 o 176.7267 8.861390 923.6617       91.55179 911.3629       135.5476 933.9792       124.1495 174.6129 13.33717 177.0891 12.02504 -2.476166      17.95778 
1 1 1 7   6  38 o 322.2344 7.150887 3058.167       135.1395 2961.637       195.0723 3147.244       187.3912 316.1322 10.53619 326.1243 9.808653 -9.992126      14.39517 
1 1 1 7   6  39 o 60.62905 21.17306 102.5995       92.61581 -17.56442      150.4972 175.8478       117.5005 55.49594 24.28920 75.40356 23.77939 -19.90761      33.99154 
1 1 1 7   6  40 o 42.06987 18.47229 -15.88328      87.67436 45.29127       139.3770 -55.94035      112.7834 59.26987 24.54289 44.14426 20.04332 15.12562       31.68735 
1 1 1 7   6  41 o 139.8286 11.49950 588.4600       93.47041 596.6136       143.8189 582.4974       122.9866 138.2330 18.18027 137.6970 15.49823 0.5359802      23.88969 
1 1 1 7   6  42 o 87.40876 16.58939 241.3525       81.93261 270.1841       125.9283 220.1884       107.8918 90.12459 23.56360 81.85176 22.00371 8.272827       32.23983 
1 1 1 7   6  43 o 115.5669 13.31845 409.5200       88.61983 386.1179       91.39574 777.3107       362.3252 111.8232 14.26017 138.2550 41.43134 -26.43179      43.81676 
1 1 1 7   6  44 o 77.41178 18.98976 196.2010       85.55083 228.0987       87.97878 -357.9078      366.6871 83.77123 18.41069 65.02027 31.45480 18.75096       36.44665 
1 1 1 7   6  45 o 167.2623 10.51093 844.7627       102.5861 834.4760       106.8675 965.4827       366.0970 165.9911 11.04043 151.4858 40.44769 14.50523       41.92739 
1 1 1 7   6  46 o 50.62987 20.38181 51.78867       92.85656 71.19706       96.21192 -211.9998      354.7007 53.97257 21.05507 67.11900 32.06855 -13.14642      38.36285 
1 1 1 7   6  47 o 136.8983 13.76759 583.5892       109.0373 568.3350       114.5939 729.5385       354.4602 134.5024 14.76988 124.5667 41.46449 9.935669       44.01651 
1 1 1 7   6  48 o 77.56348 22.17666 208.9566       105.9416 302.0547       110.5878 -829.6658      369.3735 94.30904 20.57429 52.14720 26.26806 42.16184       33.36634 
1 1 1 7   6  49 o 178.6347 11.77888 980.7137       122.7129 952.2708       127.5826 1332.112       448.4401 175.5294 12.47470 161.5553 45.43724 13.97418       47.11858 
1 1 1 7   6  50 o 46.65211 20.56558 -0.1858510     109.6698 17.68107       112.4832 -344.0131      493.4385 48.97298 21.22151 70.19910 34.50064 -21.22612      40.50489 
1 1 1 7   7  0  o 418.8407 15.57077 5178.563       381.8149 5178.563       381.8149 0.000000       0.000000 418.8407 15.57077 ?        ?        0.000000       15.57077 
1 1 1 7   7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   7  2  o 330.6604 14.00420 3225.903       270.9608 0.000000       0.000000 3225.903       270.9608 ?        ?        330.6604 14.00420 0.000000       14.00420 
1 1 1 7   7  3  o 554.5766 13.74091 9057.334       446.9178 9146.457       634.2151 8969.424       629.8815 555.7686 19.48788 550.3412 19.54639 5.427429       27.60143 
1 1 1 7   7  4  o 452.1763 8.770162 6005.890       232.5766 6097.561       275.3448 5777.622       434.4943 455.4660 10.30790 442.1850 16.78490 13.28104       19.69735 
1 1 1 7   7  5  o 434.9355 9.974492 5559.096       254.4287 5559.096       254.4287 0.000000       0.000000 434.9355 9.974492 ?        ?        0.000000       9.974492 
1 1 1 7   7  6  o 749.1329 14.80661 16530.16       650.5267 16530.16       650.5267 0.000000       0.000000 749.1329 14.80661 ?        ?        0.000000       14.80661 
1 1 1 7   7  7  o 565.7883 9.365422 9402.360       310.7648 9425.528       396.5343 9365.478       500.3163 566.1961 11.94162 563.7349 15.14652 2.461182       19.28781 
1 1 1 7   7  8  o 142.3328 8.512661 596.8795       70.73463 496.1729       123.7189 645.7850       86.21577 128.7120 16.78934 147.9442 9.995283 -19.23218      19.53938 
1 1 1 7   7  9  o 269.5663 7.280608 2133.975       114.9969 2124.271       177.9904 2140.929       150.6642 268.6724 11.32133 269.8642 9.534487 -1.191803      14.80132 
1 1 1 7   7  10 o 435.5854 7.166498 5567.167       183.0758 5845.854       337.1921 5450.673       218.0070 445.8617 12.90875 430.9446 8.625782 14.91711       15.52546 
1 1 1 7   7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   7  12 o 534.9338 10.19998 8399.617       320.0000 8367.360       446.7753 8433.596       458.5513 533.4559 14.29327 535.5321 14.61363 -2.076172      20.44151 
1 1 1 7   7  13 o 555.8350 7.392608 9064.384       240.9873 9347.831       353.3268 8817.830       329.5311 564.2994 10.67619 548.0918 10.25162 16.20758       14.80125 
1 1 1 7   7  14 o 528.5632 8.306647 8197.971       257.4976 7601.645       407.6335 8593.919       332.1599 508.5009 13.68115 541.0702 10.46750 -32.56934      17.22621 
1 1 1 7   7  15 o 455.2311 6.783235 6079.775       181.1003 5916.755       248.6993 6263.798       264.2353 448.9879 9.444727 461.9539 9.753075 -12.96603      13.57665 
1 1 1 7   7  16 o 334.9785 8.109638 3292.752       159.3195 2970.382       273.8841 3457.625       195.8685 317.5621 14.74603 343.0711 9.744735 -25.50903      17.67498 
1 1 1 7   7  17 o 472.6296 7.414404 6554.414       205.5170 6471.241       289.2368 6639.226       292.0738 469.4736 10.50490 475.5299 10.47283 -6.056274      14.83352 
1 1 1 7   7  18 o 434.1573 7.166869 5530.813       182.4850 5460.845       255.8002 5603.324       260.4069 431.2674 10.11355 436.8545 10.16401 -5.587158      14.33845 
1 1 1 7   7  19 o 361.1323 6.593761 3826.541       139.6530 4185.441       213.1847 3556.751       184.8338 377.4411 9.638551 347.9610 9.065050 29.48004       13.23166 
1 1 1 7   7  20 o 936.8751 11.43415 25790.66       628.2554 26045.79       898.9864 25547.10       878.3477 940.5179 16.29805 931.5217 16.07766 8.996216       22.89361 
1 1 1 7   7  21 o 319.5878 10.36063 3003.983       193.9333 2754.458       246.4011 3410.187       314.3817 305.6514 13.78111 339.8874 15.81481 -34.23599      20.97682 
1 1 1 7   7  22 o 391.6017 6.461735 4500.789       148.4035 4587.090       212.9462 4419.294       206.9316 395.1623 9.188484 387.8741 9.096733 7.288116       12.92976 
1 1 1 7   7  23 o 316.7310 6.083208 2944.354       112.9988 2971.690       164.2728 2919.803       155.6818 317.9197 8.818964 315.1659 8.430208 2.753784       12.20010 
1 1 1 7   7  24 o 677.1375 8.609502 13473.45       341.9050 13766.35       495.6004 13207.45       472.2944 683.7040 12.35985 669.7581 12.02387 13.94592       17.24353 
1 1 1 7   7  25 o 293.0075 5.953013 2520.441       102.2978 2666.698       152.2693 2400.125       138.1071 301.0759 8.632456 285.6592 8.252257 15.41666       11.94232 
1 1 1 7   7  26 o 284.1731 6.027371 2371.141       100.4527 2467.128       149.8232 2292.752       135.3933 289.5161 8.834138 279.1520 8.279153 10.36414       12.10729 
1 1 1 7   7  27 o 120.6978 9.720087 431.5486       68.22358 419.3849       107.7698 439.6831       88.13145 117.9478 15.99113 121.4328 12.55587 -3.484970      20.33141 
1 1 1 7   7  28 o 372.9129 6.149894 4084.720       134.5010 4132.729       191.9432 4038.404       188.5291 374.7797 8.732653 370.4860 8.676729 4.293732       12.31036 
1 1 1 7   7  29 o 190.3364 7.187296 1066.416       80.08606 1089.872       117.9688 1046.364       109.0714 192.0073 10.51623 188.2096 9.916390 3.797729       14.45427 
1 1 1 7   7  30 o 209.6443 7.071289 1293.316       86.81805 1408.120       129.1633 1198.701       117.2570 218.3745 10.11271 201.4683 9.954708 16.90628       14.19025 
1 1 1 7   7  31 o 268.9059 6.794987 2126.338       107.0758 2223.242       157.7688 2043.584       145.7951 274.5586 9.813738 263.2717 9.457897 11.28693       13.62943 
1 1 1 7   7  32 o 360.6071 6.919178 3821.752       146.3320 3740.872       206.8535 3902.776       207.0361 356.2159 9.911087 363.8872 9.709950 -7.671326      13.87490 
1 1 1 7   7  33 o 252.0570 7.462469 1869.821       110.1928 1891.418       159.1752 1849.945       152.6989 253.0177 10.75140 250.2795 10.42587 2.738235       14.97636 
1 1 1 7   7  34 o 446.8956 7.016470 5872.520       183.8973 5751.840       255.2248 6002.818       265.2022 441.6922 9.852639 451.1836 10.02244 -9.491364      14.05431 
1 1 1 7   7  35 o 203.2432 8.180504 1218.400       97.31019 1343.841       150.5565 1128.398       127.5275 212.7478 12.11667 195.0757 11.19380 17.67210       16.49590 
1 1 1 7   7  36 o 194.9715 8.564366 1122.701       97.69130 1163.926       152.2405 1093.844       127.3741 197.5702 13.21486 191.9233 11.36717 5.646957       17.43116 
1 1 1 7   7  37 o 202.7265 8.111581 1213.276       96.24734 1120.124       141.6646 1293.138       131.1691 193.8653 12.52685 208.7835 10.74853 -14.91826      16.50615 
1 1 1 7   7  38 o 497.1084 7.611350 7283.517       221.9031 7478.284       319.8374 7102.751       308.1267 502.3894 10.85521 489.6710 10.72938 12.71841       15.26287 
1 1 1 7   7  39 o 191.2814 9.244369 1084.867       103.3982 1180.686       164.4839 1022.264       132.9519 198.1051 14.25245 184.8693 12.33304 13.23576       18.84771 
1 1 1 7   7  40 o 224.0623 7.789644 1485.500       102.2059 1486.454       151.6785 1484.706       138.3246 222.9081 11.64275 223.1538 10.59956 -0.2456970     15.74498 
1 1 1 7   7  41 o 151.8360 15.60309 708.0411       136.9676 693.2843       150.5040 779.1834       330.4579 149.3717 17.51238 144.5570 38.35159 4.814789       42.16074 
1 1 1 7   7  42 o 45.15676 18.22865 33.42498       74.49780 40.84755       76.49659 -103.0691      328.0364 46.75708 18.60842 72.26351 33.32067 -25.50643      38.16465 
1 1 1 7   7  43 o 126.3619 12.64430 487.0269       92.44749 524.7852       95.77079 -28.88003      354.0074 131.2284 12.59843 77.34734 35.27078 53.88107       37.45329 
1 1 1 7   7  44 o 96.51130 16.10410 295.1149       87.94188 300.1598       90.63177 213.8888       363.6636 97.18271 16.49044 89.37846 38.44037 7.804245       41.82818 
1 1 1 7   7  45 o 42.05058 18.54974 -11.98864      89.36732 -15.71609      92.36874 42.58730       353.4434 42.33345 18.75779 78.38577 35.54742 -36.05233      40.19296 
1 1 1 7   7  46 o 106.4644 17.03956 364.4269       102.8066 367.6571       107.3080 328.3311       358.7143 106.5329 17.80279 93.49207 39.09613 13.04087       42.95866 
1 1 1 7   7  47 o 52.54667 21.34354 56.58115       102.8553 55.09292       107.9125 71.35212       339.9712 53.10501 21.75144 76.60275 34.78803 -23.49773      41.02843 
1 1 1 7   7  48 o 80.05976 22.17371 223.1782       107.6814 259.0381       112.0030 -214.7990      391.4267 86.32909 22.04678 68.35252 32.92556 17.97656       39.62516 
1 1 1 7   7  49 o 144.7024 15.25928 665.2356       127.5497 707.8065       133.2139 196.3340       442.1143 149.1547 15.45224 84.66749 38.91016 64.48725       41.86613 
1 1 1 7   7  50 o 112.0380 19.69612 423.3562       124.6968 421.6143       129.0387 447.9415       484.7826 111.1810 20.54634 94.76250 42.41639 16.41850       47.13069 
1 1 1 7   8  0  o 571.8459 19.87418 9685.472       665.5155 9685.472       665.5155 0.000000       0.000000 571.8459 19.87418 ?        ?        0.000000       19.87418 
1 1 1 7   8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   8  2  o 366.8715 10.19029 3958.899       219.0434 3980.930       306.5944 3935.930       313.0549 367.3573 14.25773 365.2122 14.64557 2.145142       20.43956 
1 1 1 7   8  3  f 267.1506 7.303473 2096.807       114.3216 2147.518       139.2826 1992.109       200.1317 270.2494 8.799564 259.8239 13.17670 10.42548       15.84480 
1 1 1 7   8  4  o 351.5711 7.625202 3628.920       157.2226 3633.686       184.7454 3616.405       299.3987 351.6060 8.966464 350.0929 14.61411 1.513184       17.14554 
1 1 1 7   8  5  o 448.5292 9.991779 5910.883       262.8355 5910.883       262.8355 0.000000       0.000000 448.5292 9.991779 ?        ?        0.000000       9.991779 
1 1 1 7   8  6  o 461.9622 8.056785 6265.358       218.2824 6380.305       279.8342 6086.725       348.8461 466.0116 10.23890 454.7024 13.09510 11.30923       16.62278 
1 1 1 7   8  7  o 785.3313 12.13283 18127.93       558.8118 18079.76       710.6658 18205.96       904.4932 783.7126 15.46173 785.5270 19.63331 -1.814392      24.99064 
1 1 1 7   8  8  o 458.6448 8.038253 6173.992       216.2164 6309.894       279.3936 5971.082       341.3932 463.5322 10.27747 450.5375 12.93371 12.99469       16.51990 
1 1 1 7   8  9  f 539.2654 8.246765 8534.628       260.8175 8812.976       470.9709 8411.505       313.2346 547.3025 14.68618 535.2589 9.978274 12.04364       17.75527 
1 1 1 7   8  10 o 923.7494 12.96189 25067.66       702.2198 26243.98       1293.709 24576.32       836.1107 943.2561 23.38602 914.2824 15.59311 28.97369       28.10785 
1 1 1 7   8  11 o 804.2934 14.07534 19006.45       663.9326 19805.94       987.6552 18347.30       896.7926 819.8718 20.55661 789.5333 19.36739 30.33850       28.24305 
1 1 1 7   8  12 o 1116.567 15.47922 36642.49       1013.641 37329.82       1801.374 36324.02       1226.192 1124.271 27.32009 1111.096 18.81725 13.17529       33.17343 
1 1 1 7   8  13 o 396.1839 6.202564 4604.428       144.1181 4718.526       212.1573 4506.666       196.3831 400.9795 9.021635 391.8900 8.544556 9.089447       12.42575 
1 1 1 7   8  14 o 121.0484 19.54235 442.1652       134.0110 352.8889       176.1484 564.8425       206.4871 107.2950 27.77768 135.9688 26.84739 -28.67381      38.63136 
1 1 1 7   8  15 o 887.2386 10.91486 23112.28       567.9486 22825.42       788.8428 23421.01       818.3719 881.1911 15.26405 892.5602 15.63373 -11.36908      21.84960 
1 1 1 7   8  16 o 741.7016 9.514729 16147.75       413.8817 15724.69       563.5234 16643.24       609.8521 731.5909 13.13388 752.5791 13.81726 -20.98816      19.06346 
1 1 1 7   8  17 o 508.0899 7.586134 7575.257       226.0537 7572.601       317.1767 7578.000       322.2604 507.8331 10.64951 508.0034 10.81658 -0.1702881     15.17928 
1 1 1 7   8  18 o 1412.881 16.84819 58750.30       1396.077 58489.62       1960.146 59018.69       1988.868 1407.225 23.75059 1413.471 23.99212 -6.246460      33.75963 
1 1 1 7   8  19 o 348.6366 6.403847 3566.324       130.9376 3660.260       191.3558 3483.617       179.5547 352.9652 9.251959 344.3620 8.898051 8.603210       12.83643 
1 1 1 7   8  20 o 539.9952 7.413116 8558.486       234.7693 8557.278       330.4031 8559.718       333.6485 539.7151 10.43828 539.7826 10.53950 -0.6744385E-01 14.83370 
1 1 1 7   8  21 o 364.5095 6.393545 3899.238       136.6788 3955.023       196.8180 3847.278       189.9508 366.9568 9.145328 361.9362 8.948671 5.020569       12.79515 
1 1 1 7   8  22 o 256.8979 6.957385 1938.757       104.7266 1973.147       143.9159 1900.050       152.6843 258.9690 9.491741 254.0475 10.26892 4.921524       13.98370 
1 1 1 7   8  23 o 175.8861 10.00324 912.4050       102.7610 1006.663       117.4737 605.2228       212.0705 184.6821 10.89429 140.1527 26.77652 44.52942       28.90792 
1 1 1 7   8  24 o 396.6463 6.277144 4618.865       146.0212 4710.793       211.8081 4535.599       201.5817 400.3248 9.021518 392.8384 8.749568 7.486420       12.56753 
1 1 1 7   8  25 o 391.5370 6.163998 4501.154       141.5421 4494.929       201.1324 4507.261       199.2229 391.0091 8.770909 391.5561 8.675505 -0.5470276     12.33666 
1 1 1 7   8  26 o 126.2684 16.89008 480.6332       121.9427 524.2563       145.6422 378.3444       223.0194 131.4170 19.48606 110.3003 32.36838 21.11674       37.78120 
1 1 1 7   8  27 o 492.2450 6.888880 7119.367       198.8751 7102.870       279.7602 7136.221       282.7676 491.1958 9.711376 492.3314 9.793133 -1.135559      13.79189 
1 1 1 7   8  28 o 176.6751 7.061045 918.8322       73.01618 924.1995       109.2347 914.4971       98.17017 176.7717 10.58501 175.9783 9.547714 0.7933044      14.25487 
1 1 1 7   8  29 o 189.6670 7.389027 1059.191       82.03477 1060.823       126.6088 1058.010       107.7006 189.2749 11.45935 189.2785 9.734820 -0.3585815E-02 15.03607 
1 1 1 7   8  30 o 199.7462 7.717185 1175.003       90.23400 1297.936       137.6008 1082.253       119.5210 209.4654 11.24222 191.3018 10.69565 18.16362       15.51723 
1 1 1 7   8  31 f 58.27406 20.08587 92.60601       83.22234 118.8819       139.1606 77.97660       103.8367 69.81886 25.75544 58.86994 22.14301 10.94892       33.96550 
1 1 1 7   8  32 o 178.8863 9.475973 944.9847       99.06026 905.1151       146.6487 978.4442       134.3434 174.2384 14.48184 181.5378 12.69831 -7.299454      19.26061 
1 1 1 7   8  33 o 169.4467 9.091805 847.9167       90.02036 849.8027       132.1810 846.2853       122.9370 168.9337 13.45246 168.7550 12.51052 0.1787109      18.37068 
1 1 1 7   8  34 o 253.0663 7.123942 1884.920       105.6265 1781.583       152.8609 1979.349       146.1235 245.4632 10.64371 258.9409 9.638903 -13.47774      14.35956 
1 1 1 7   8  35 f 148.0853 10.60271 651.0684       91.47359 678.4850       143.1492 632.1470       118.9205 149.8970 16.55911 145.2076 14.14324 4.689453       21.77695 
1 1 1 7   8  36 o 246.3511 7.587816 1788.843       109.4974 1563.204       158.1102 1996.799       151.7885 229.4215 11.79056 259.8115 9.980182 -30.39000      15.44738 
1 1 1 7   8  37 o 142.5140 10.86742 604.5942       90.14614 635.7946       138.7530 581.8058       118.5820 144.7614 16.64588 138.9038 14.78325 5.857590       22.26274 
1 1 1 7   8  38 o 281.5245 7.331316 2337.103       120.9425 2553.371       184.8183 2175.134       159.9428 293.3400 10.76118 270.9105 10.08433 22.42944       14.74777 
1 1 1 7   8  39 o 305.5842 9.616642 2768.536       172.1329 2742.510       191.2816 2879.350       394.6987 303.7278 10.75535 304.5696 22.25027 -0.8418274     24.71340 
1 1 1 7   8  40 o 129.0730 11.49208 500.9391       86.08434 478.3356       89.04243 824.2766       336.7736 125.9031 12.21216 150.8824 38.06628 -24.97932      39.97723 
1 1 1 7   8  41 o 189.6664 9.344604 1072.106       103.6246 1062.577       108.4833 1171.392       350.1773 188.6555 9.838892 182.0807 34.04372 6.574753       35.43697 
1 1 1 7   8  42 o 126.7839 11.95885 487.3764       87.87046 488.4638       91.25775 473.5379       325.5402 126.7593 12.43536 111.4424 39.62857 15.31693       41.53386 
1 1 1 7   8  43 o 109.0149 14.29850 367.9944       89.21545 331.0840       92.45896 866.5574       339.8089 102.7006 15.86097 148.4749 38.65265 -45.77432      41.78035 
1 1 1 7   8  44 o 58.17874 20.83552 99.20517       90.14893 102.6504       93.19386 49.05250       355.5714 59.07501 21.18116 79.56970 35.91061 -20.49469      41.69189 
1 1 1 7   8  45 o 96.49060 17.55833 300.6469       95.70233 307.8420       99.15585 202.7206       365.8057 97.44133 18.01440 87.28311 38.04128 10.15822       42.09106 
1 1 1 7   8  46 o 80.62426 21.59848 221.9104       104.1760 235.5764       108.6414 65.84470       367.1371 82.89838 21.98831 78.90510 35.95714 3.993279       42.14738 
1 1 1 7   8  47 o 95.10136 20.36389 305.4306       110.1544 384.3421       115.2807 -523.1200      373.5477 107.9075 18.90468 58.90654 29.15011 49.00097       34.74358 
1 1 1 7   8  48 o 154.9780 13.45668 747.8269       121.0979 730.1457       125.7209 975.0658       450.7060 152.6205 14.20895 132.3116 46.66859 20.30888       48.78372 
1 1 1 7   8  49 o 143.7402 16.25569 663.4656       134.6338 663.6523       138.7462 660.4540       557.1186 143.3296 16.82575 104.2600 46.13874 39.06953       49.11098 
1 1 1 7   8  50 o 69.06919 24.87224 164.2253       128.6621 149.5010       133.3173 364.0878       491.1731 67.16521 25.12626 90.79797 41.45844 -23.63276      48.47815 
1 1 1 7   9  0  o 503.3329 17.87442 7488.215       526.8024 7488.215       526.8024 0.000000       0.000000 503.3329 17.87442 ?        ?        0.000000       17.87442 
1 1 1 7   9  1  o 284.9298 8.740657 2386.660       145.8877 2318.681       200.4395 2463.240       212.7424 280.4996 12.21357 289.0849 12.57821 -8.585297      17.53233 
1 1 1 7   9  2  o 185.0635 7.860031 1007.354       85.11485 936.8120       110.6988 1109.365       133.1198 178.2191 10.63946 193.8794 11.76274 -15.66028      15.86065 
1 1 1 7   9  3  o 349.1683 7.757652 3579.286       158.8604 3614.437       190.2729 3498.401       288.6328 350.6704 9.259930 344.4241 14.32023 6.246277       17.05331 
1 1 1 7   9  4  o 82.39072 10.68098 202.7946       50.39726 241.6397       59.13924 99.76067       96.31594 89.94588 11.47170 61.69313 21.58858 28.25275       24.44722 
1 1 1 7   9  5  o 346.8506 11.73098 3540.001       238.2879 3540.001       238.2879 0.000000       0.000000 346.8506 11.73098 ?        ?        0.000000       11.73098 
1 1 1 7   9  6  o 943.9669 14.21600 26209.88       787.0182 26911.27       1039.948 25269.72       1204.014 955.4852 18.55825 924.8493 22.19780 30.63593       28.93356 
1 1 1 7   9  7  o 665.7982 10.50629 13018.26       410.2441 13330.54       537.1989 12581.32       635.4429 673.3973 13.60233 653.5946 16.59085 19.80267       21.45413 
1 1 1 7   9  8  f 216.1845 9.374401 1374.482       118.5728 1647.366       164.3606 1078.331       171.2244 236.5229 11.88689 190.8747 15.42695 45.64821       19.47535 
1 1 1 7   9  9  o 366.0578 6.040643 3930.885       129.6831 3991.316       199.0696 3886.331       170.9291 368.7652 9.204590 363.9232 8.008582 4.841980       12.20090 
1 1 1 7   9  10 o 419.4721 8.526592 5163.467       209.7631 5130.211       310.0525 5191.535       284.8473 417.7453 12.66996 420.3244 11.56618 -2.579102      17.15531 
1 1 1 7   9  11 o 1159.347 19.70991 39560.91       1340.136 41549.39       2022.583 38004.73       1789.267 1185.531 29.08994 1134.500 26.89182 51.03149       39.61559 
1 1 1 7   9  12 o 789.3353 11.28771 18292.65       522.5381 18659.99       930.5386 18123.46       631.5065 795.9382 19.95019 785.4478 13.70913 10.49042       24.20641 
1 1 1 7   9  13 o 255.1906 10.44739 1914.893       156.0285 2008.084       206.8780 1791.952       237.6169 261.0984 13.55656 246.3178 16.54463 14.78053       21.38938 
1 1 1 7   9  14 o 203.7162 8.175661 1219.745       97.48010 1014.237       196.0809 1287.210       112.3471 184.7584 18.33766 209.2229 9.178255 -24.46454      20.50634 
1 1 1 7   9  15 o 783.4595 9.901395 18018.30       454.9497 18412.29       660.5307 17662.70       627.5293 791.5324 14.22898 775.3029 13.80105 16.22955       19.82253 
1 1 1 7   9  16 o 926.9536 11.42074 25234.14       620.8728 25331.57       880.2778 25137.68       875.8326 928.0418 16.17341 924.4868 16.15362 3.554993       22.85867 
1 1 1 7   9  17 o 344.2125 6.665373 3476.268       134.5555 3637.136       198.8753 3340.460       182.7290 351.8490 9.646816 337.2095 9.248417 14.63953       13.36392 
1 1 1 7   9  18 o 145.7265 9.306096 625.9852       79.11910 452.7073       124.4390 743.5639       102.5060 122.7309 17.80776 158.7232 11.08140 -35.99238      20.97412 
1 1 1 7   9  19 f 406.1868 6.533712 4841.260       155.6454 4828.953       219.4942 4853.707       220.7429 405.5372 9.228726 406.5737 9.257568 -1.036499      13.07180 
1 1 1 7   9  20 o 409.8531 6.454053 4929.489       155.1355 4951.556       219.6702 4907.532       219.1204 410.6162 9.121884 408.7856 9.139800 1.830627       12.91297 
1 1 1 7   9  21 o 149.8018 9.930596 662.2574       86.75297 968.5078       169.5011 553.5606       100.9816 180.5385 16.17994 136.5787 12.75440 43.95972       20.60255 
1 1 1 7   9  22 o 69.26414 16.32501 147.2309       65.22298 125.2544       108.5409 159.6512       81.59821 67.50413 22.94787 72.18521 19.01378 -4.681084      29.80149 
1 1 1 7   9  23 o 578.6884 7.681688 9835.842       260.7065 9757.878       363.6197 9918.315       373.9884 575.9423 10.76509 580.6203 10.98286 -4.677979      15.37890 
1 1 1 7   9  24 o 517.9964 7.152493 7880.853       217.2875 7867.257       304.2505 7895.005       310.4243 517.1473 10.03151 518.0279 10.21768 -0.8805542     14.31894 
1 1 1 7   9  25 o 622.3497 8.111117 11384.10       296.0504 11193.73       407.8074 11596.22       430.4681 616.4563 11.27982 627.3347 11.70014 -10.87842      16.25201 
1 1 1 7   9  26 o 55.62740 17.20714 91.53002       61.83833 -13.87541      100.1150 156.5511       78.63120 46.06351 19.99047 71.28350 18.61129 -25.21999      27.31298 
1 1 1 7   9  27 o 267.1438 6.056678 2096.049       94.89210 2148.143       140.7174 2052.604       128.5076 270.0498 8.897062 264.0462 8.308818 6.003540       12.17350 
1 1 1 7   9  28 o 52.91829 17.54497 79.25645       63.47788 -7.159015      105.5572 128.2108       79.44885 48.02236 20.68250 65.11577 19.37425 -17.09341      28.33950 
1 1 1 7   9  29 o 356.3380 6.306145 3730.467       131.7882 3651.472       182.9043 3815.760       190.0546 352.1114 8.864185 360.0372 9.000788 -7.925812      12.63281 
1 1 1 7   9  30 o 512.0006 7.310831 7706.459       219.5269 7899.418       318.2069 7531.215       303.2487 517.6846 10.48079 505.5377 10.22810 12.14691       14.64448 
1 1 1 7   9  31 o 545.4553 7.761745 8748.970       248.2956 8686.783       348.2026 8813.302       354.1592 542.7641 10.93882 546.6724 11.04640 -3.908264      15.54608 
1 1 1 7   9  32 o 383.4813 6.988176 4322.478       157.1660 4283.895       224.5242 4359.546       220.0751 381.1560 10.05285 384.5688 9.765576 -3.412872      14.01521 
1 1 1 7   9  33 o 201.0242 8.106258 1191.057       95.37350 1344.996       149.9538 1086.483       123.5931 213.0101 12.05264 191.5528 11.04846 21.45738       16.35038 
1 1 1 7   9  34 o 287.9561 6.891993 2438.364       116.3916 2334.315       165.2477 2540.803       163.9650 281.1259 10.03880 293.4118 9.541155 -12.28592      13.84959 
1 1 1 7   9  35 o 49.90617 21.79734 -18.85666      120.6519 20.69234       129.3923 -282.2798      333.9394 55.77560 23.41288 69.48460 32.56716 -13.70900      40.10963 
1 1 1 7   9  36 o 177.1310 8.991204 928.0060       93.09793 952.0968       153.3833 913.9540       117.1440 178.1333 14.81591 175.3129 11.45623 2.820450       18.72849 
1 1 1 7   9  37 o 188.6075 15.82581 1071.652       173.4426 1044.376       197.2513 1164.624       364.1664 185.3185 18.39130 188.2141 34.25261 -2.895508      38.87777 
1 1 1 7   9  38 o 99.37797 16.63172 304.6075       93.51188 292.4506       96.72787 478.3643       365.6876 97.05092 17.64396 119.8593 42.05674 -22.80841      45.60788 
1 1 1 7   9  39 o 208.8169 8.985561 1292.923       109.7852 1263.264       115.4551 1572.829       354.6881 206.2504 9.570918 220.4828 28.06490 -14.23239      29.65200 
1 1 1 7   9  40 f 163.2159 10.35612 796.1244       98.61993 771.1935       102.9776 1072.137       342.6406 160.4333 11.01131 174.9864 34.61395 -14.55307      36.32319 
1 1 1 7   9  41 o 201.0855 9.132260 1204.415       107.4174 1219.381       112.8722 1060.709       349.7618 202.1888 9.545694 170.8449 36.04292 31.34393       37.28555 
1 1 1 7   9  42 o 105.4619 15.19251 345.8981       91.25993 338.9897       94.60970 438.3079       346.0217 104.0657 16.01432 107.9201 40.45755 -3.854362      43.51175 
1 1 1 7   9  43 o 93.86882 17.92681 282.8806       95.09237 292.5264       98.55311 152.7286       362.0160 95.33615 18.29145 86.77422 37.83121 8.561935       42.02116 
1 1 1 7   9  44 o 92.62614 18.40884 278.8152       96.47841 268.5731       99.89689 420.8285       371.9821 90.41010 19.41975 102.5850 40.96569 -12.17488      45.33558 
1 1 1 7   9  45 o 103.2784 17.28273 342.9872       100.9864 317.9283       104.7756 670.7562       378.9345 98.58495 18.80778 120.4868 42.76420 -21.90185      46.71733 
1 1 1 7   9  46 o 116.7268 16.00606 433.5240       106.6909 463.0177       111.3456 102.7254       372.8983 120.6051 16.14723 80.67468 36.55645 39.93041       39.96382 
1 1 1 7   9  47 o 89.45184 21.03423 273.5147       108.4819 233.7460       113.0767 733.2362       384.4589 81.79156 22.74859 120.8198 43.05484 -39.02827      48.69515 
1 1 1 7   9  48 o 83.59214 28.08885 261.1935       162.6084 261.1935       162.6084 0.000000       0.000000 83.59214 28.08885 ?        ?        0.000000       28.08885 
1 1 1 7   9  49 o 85.85113 25.29792 270.3710       135.9916 299.8652       138.0123 -714.7729      797.6264 90.51064 25.11633 77.43159 38.95181 13.07905       46.34732 
1 1 1 7   10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   10 1  f 979.4873 22.71170 28390.53       1304.665 28024.73       1825.178 28772.73       1865.637 968.2374 32.18673 980.9197 32.47449 -12.68225      45.72284 
1 1 1 7   10 2  o 77.97005 9.536697 181.1994       42.70234 171.3479       50.88794 204.6485       78.51019 75.44138 11.89511 81.84859 16.91507 -6.407211      20.67881 
1 1 1 7   10 3  o 95.46499 8.702072 269.7853       48.18609 236.5593       55.80000 367.2256       95.55742 89.07062 10.90941 110.6914 15.11410 -21.62076      18.64004 
1 1 1 7   10 4  o 503.1143 9.307392 7432.286       274.6283 7457.996       321.4030 7362.735       528.6337 503.8633 10.87644 499.5283 18.07427 4.334930       21.09446 
1 1 1 7   10 5  o 595.3437 10.42546 10409.07       364.0101 10334.04       419.4401 10637.99       732.6648 593.0430 12.05961 600.1436 20.84777 -7.100586      24.08451 
1 1 1 7   10 6  o 424.6620 7.786642 5292.246       193.9296 5456.359       246.7305 5026.975       313.6857 431.1020 9.758705 413.4011 12.95415 17.70096       16.21858 
1 1 1 7   10 7  o 436.8733 8.008536 5600.823       205.1914 5852.753       266.8760 5236.557       320.9063 446.4887 10.19174 421.9762 12.98245 24.51257       16.50502 
1 1 1 7   10 8  o 397.6891 7.697529 4640.640       179.5335 4945.519       236.2434 4223.867       276.2139 410.4652 9.813703 379.0179 12.44298 31.44724       15.84729 
1 1 1 7   10 9  o 415.7280 7.109165 5070.566       173.3318 5152.381       312.1063 5034.079       208.4295 418.6452 12.72654 414.1822 8.580592 4.463013       15.34899 
1 1 1 7   10 10 o 1105.488 15.35305 35918.08       995.4034 37858.79       1852.656 35130.48       1180.225 1132.011 27.90574 1092.758 18.41580 39.25391       33.43459 
1 1 1 7   10 11 o 369.7352 6.987244 4010.576       151.5121 3914.900       266.1058 4056.470       184.3027 364.9000 12.45279 371.8041 8.452144 -6.904144      15.05028 
1 1 1 7   10 12 o 699.3946 10.32152 14358.96       423.3667 13415.29       669.5896 14987.49       546.4617 675.2114 16.92235 714.3130 13.04430 -39.10168      21.36632 
1 1 1 7   10 13 o 267.3521 9.509503 2100.577       148.8674 0.000000       0.000000 2100.577       148.8674 ?        ?        267.3521 9.509503 0.000000       9.509503 
1 1 1 7   10 14 o 505.9315 11.08391 7515.807       328.8782 7305.107       435.9237 7794.173       501.0567 498.3003 14.93342 514.5266 16.62643 -16.22632      22.34827 
1 1 1 7   10 15 o 753.4258 9.607016 16663.07       424.5017 16438.35       589.5941 16904.95       611.6875 747.9545 13.44087 758.4592 13.75140 -10.50470      19.22909 
1 1 1 7   10 16 o 328.6241 11.53415 3175.782       221.9533 3128.223       285.2348 3248.780       353.3793 325.8341 14.96638 331.6884 18.23621 -5.854218      23.59136 
1 1 1 7   10 17 o 423.5587 6.711791 5263.853       166.7257 5022.849       225.7808 5552.871       247.2506 413.6364 9.307173 434.8922 9.694050 -21.25580      13.43868 
1 1 1 7   10 18 o 350.2220 6.330717 3598.830       130.0310 3523.759       182.2642 3676.644       185.5633 346.3313 8.981019 353.7718 8.950914 -7.440430      12.67981 
1 1 1 7   10 19 o 786.2898 9.789515 18158.85       451.4340 18215.36       639.1680 18102.60       637.6829 786.8755 13.85028 784.4341 13.86110 2.441345       19.59491 
1 1 1 7   10 20 f 337.2011 8.102897 3338.500       160.2433 3233.461       248.3115 3413.462       209.7693 331.2940 12.80416 340.6569 10.51222 -9.362885      16.56663 
1 1 1 7   10 21 o 96.71327 11.63829 279.0383       64.68734 347.7973       106.6113 238.9745       81.37941 107.1741 17.56971 88.64711 16.25179 18.52699       23.93356 
1 1 1 7   10 22 o 250.6043 6.055647 1843.335       89.00198 1926.353       135.3070 1780.021       118.1633 255.8808 9.030534 246.0311 8.200673 9.849670       12.19843 
1 1 1 7   10 23 o 204.4804 11.46747 1234.649       136.9703 1217.533       167.5917 1269.081       237.6995 202.6797 14.18874 205.9085 19.93253 -3.228775      24.46684 
1 1 1 7   10 24 o 317.1751 5.985598 2953.509       111.3415 2956.181       159.6685 2950.979       155.3420 317.0016 8.596235 316.7486 8.369592 0.2529602      11.99772 
1 1 1 7   10 25 o 284.3181 5.935318 2373.535       98.96896 2704.584       154.7421 2144.382       128.7435 303.1467 8.712761 269.9684 8.140637 33.17834       11.92402 
1 1 1 7   10 26 f 109.9899 9.843916 358.9704       62.82898 218.7742       104.8998 437.3977       78.45856 83.99856 21.27431 121.3202 11.15164 -37.32168      24.01990 
1 1 1 7   10 27 o 143.6791 8.029383 608.9741       67.38995 607.8093       108.3879 609.7080       86.04244 142.8409 13.08348 143.4922 10.29268 -0.6513062     16.64682 
1 1 1 7   10 28 f 518.9480 7.203022 7916.429       219.2245 8068.110       313.9816 7772.150       306.2245 523.2466 10.23169 513.5759 10.16681 9.670715       14.42399 
1 1 1 7   10 29 o 191.8008 7.064990 1082.768       79.33590 1185.448       125.3105 1014.077       102.4935 200.2354 10.70974 185.3300 9.461048 14.90536       14.29021 
1 1 1 7   10 30 o 77.44469 16.67083 184.8423       73.47460 278.3734       123.8712 134.0729       91.26265 94.46394 22.65204 67.09797 20.92800 27.36597       30.83985 
1 1 1 7   10 31 o 300.9591 6.920891 2662.020       122.1575 2699.576       181.8214 2631.119       164.9253 302.4966 10.26369 298.7744 9.424034 3.722137       13.93398 
1 1 1 7   10 32 o 299.9922 6.951819 2645.355       122.3092 2525.087       173.9178 2763.040       172.0400 292.5229 10.15296 306.1123 9.594776 -13.58939      13.96933 
1 1 1 7   10 33 o 301.3771 6.832420 2670.319       120.7634 2765.993       182.0234 2595.096       161.4008 306.0863 10.15393 296.6342 9.289011 9.452118       13.76183 
1 1 1 7   10 34 o 119.2515 12.19875 425.1454       84.11504 432.7784       145.4702 421.3114       103.0980 118.0157 21.82120 118.0782 15.24305 -0.6256866E-01 26.61795 
1 1 1 7   10 35 o 250.6296 7.920555 1851.997       116.2768 1793.906       123.5336 2303.312       344.3271 246.5518 8.556278 275.0261 21.51869 -28.47424      23.15738 
1 1 1 7   10 36 o 72.68134 26.06596 143.1571       141.1445 226.2083       154.8660 -264.1889      342.9771 85.69273 27.33336 71.03461 33.19986 14.65812       43.00399 
1 1 1 7   10 37 o 65.20856 20.65177 128.1250       88.53885 169.2985       91.21845 -541.9574      367.9917 73.53849 20.42395 64.10245 31.12830 9.436043       37.23048 
1 1 1 7   10 38 o 92.71932 25.85181 277.4499       145.8356 264.9562       158.9595 343.8770       366.5336 90.86856 27.48972 108.0900 41.38082 -17.22146      49.67954 
1 1 1 7   10 39 o 38.21743 17.29895 -40.99596      83.23331 -46.70476      85.75225 51.91593       345.9465 38.32681 17.43142 84.74348 36.96334 -46.41667      40.86738 
1 1 1 7   10 40 o 78.93015 19.83814 200.6100       91.71377 245.0116       94.95876 -415.9483      353.8529 87.53726 19.03981 64.10978 30.98641 23.42748       36.36856 
1 1 1 7   10 41 o 270.6598 7.863555 2172.664       124.6903 2147.930       131.4391 2395.140       394.1962 268.9227 8.343963 270.7710 25.10935 -1.848267      26.45942 
1 1 1 7   10 42 o 111.3282 14.91173 384.3885       94.91452 453.2599       98.66116 -471.0935      347.7220 121.3473 14.12713 60.58442 29.60510 60.76286       32.80301 
1 1 1 7   10 43 o 44.52421 19.12492 6.718313       89.80100 -9.606861      92.67773 257.5075       363.2460 43.27922 18.99803 92.67265 39.08364 -49.39342      43.45637 
1 1 1 7   10 44 o 107.8460 17.05128 371.1776       104.2667 409.4528       108.3283 -110.7264      384.3822 113.5068 16.77798 74.31039 34.86451 39.19641       38.69153 
1 1 1 7   10 45 o 94.13451 18.58648 290.2233       98.96854 309.2092       102.2681 10.15136       392.7885 97.22453 18.61318 78.75051 36.36517 18.47402       40.85188 
1 1 1 7   10 46 f 72.44397 22.51210 179.1454       105.7076 176.9984       110.2005 203.8768       374.0157 72.04247 23.06552 85.56600 37.83790 -13.52353      44.31393 
1 1 1 7   10 47 o 137.7171 14.59482 596.4264       116.0871 619.5392       122.3622 388.2641       367.2166 140.0327 15.13980 95.06000 39.63965 44.97272       42.43248 
1 1 1 7   10 48 o 195.0821 12.18540 1172.275       138.7182 1142.344       145.8755 1455.041       448.3620 191.9043 13.03870 173.0852 44.06179 18.81912       45.95051 
1 1 1 7   10 49 o 84.38697 29.42323 274.1014       178.8139 274.1014       178.8139 0.000000       0.000000 84.38697 29.42323 ?        ?        0.000000       29.42323 
1 1 1 7   11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   11 1  o 837.3790 19.56863 20674.48       961.0214 19896.61       1316.936 21560.58       1405.569 818.8738 27.46072 852.2076 28.16132 -33.33380      39.33384 
1 1 1 7   11 2  o 272.2879 12.93898 2183.996       206.0320 2183.996       206.0320 0.000000       0.000000 272.2879 12.93898 ?        ?        0.000000       12.93898 
1 1 1 7   11 3  o 383.7313 7.897898 4321.465       177.7417 4317.189       209.9450 4332.286       333.9673 383.4790 9.334980 383.5254 14.87591 -0.4641724E-01 17.56231 
1 1 1 7   11 4  o 421.0909 8.235681 5203.991       203.3883 5145.743       236.3082 5370.456       399.4835 418.6635 9.624167 426.9822 15.98106 -8.318665      18.65527 
1 1 1 7   11 5  o 663.1678 11.51179 12916.18       447.7307 13001.87       523.4254 12682.50       864.3594 665.1813 13.41727 655.3423 22.52276 9.838989       26.21637 
1 1 1 7   11 6  o 476.4607 7.544950 6661.033       210.8308 6847.498       297.8479 6473.785       298.4725 482.9437 10.51593 469.5626 10.83828 13.38104       15.10142 
1 1 1 7   11 7  o 616.7040 9.950824 11163.81       359.9037 11746.48       480.8535 10421.62       542.7018 632.3704 12.96554 595.2161 15.55997 37.15436       20.25384 
1 1 1 7   11 8  o 504.1353 8.722616 7458.230       257.8959 7761.555       335.7072 7021.456       402.8427 514.1652 11.13288 488.6602 14.07118 25.50491       17.94266 
1 1 1 7   11 9  o 489.5990 7.863413 7033.317       225.7887 7750.289       440.2991 6777.501       263.0026 513.3644 14.63913 480.5544 9.331834 32.81009       17.36051 
1 1 1 7   11 10 o 789.7274 11.35077 18311.24       525.7184 19121.12       960.3674 17964.71       628.2020 805.6371 20.34206 781.9964 13.69759 23.64075       24.52393 
1 1 1 7   11 11 o 1042.389 17.93931 31964.51       1096.695 30334.22       1433.084 34268.66       1703.709 1014.159 24.09435 1076.804 26.99921 -62.64496      36.18694 
1 1 1 7   11 12 o 717.8130 13.22220 15136.45       556.6287 15736.32       818.7672 14620.95       759.0086 730.9364 19.11627 704.6569 18.38186 26.27954       26.52027 
1 1 1 7   11 13 o 1231.315 17.09581 44597.98       1234.552 44512.44       2132.688 44641.09       1514.009 1226.299 29.65381 1230.941 20.97203 -4.642578      36.32045 
1 1 1 7   11 14 o 431.9346 8.290333 5475.098       210.0103 5207.928       363.6328 5608.811       257.2499 420.6550 14.76251 437.0987 10.03518 -16.44366      17.85039 
1 1 1 7   11 15 o 413.0575 8.140216 5007.096       197.1955 4795.445       347.5421 5107.589       239.4770 403.6054 14.70709 417.1082 9.789593 -13.50272      17.66733 
1 1 1 7   11 16 o 408.2255 6.710183 4889.588       160.6516 4851.013       227.3632 4928.049       227.0284 406.4921 9.537127 409.7114 9.448256 -3.219330      13.42484 
1 1 1 7   11 17 o 486.4091 7.033066 6942.669       200.6305 6650.588       268.8193 7309.946       301.4437 475.9224 9.631053 498.9101 10.30228 -22.98773      14.10298 
1 1 1 7   11 18 o 360.5396 6.298488 3814.210       133.1803 3778.959       188.4895 3849.354       188.2015 358.7523 8.958637 362.0833 8.862659 -3.331055      12.60174 
1 1 1 7   11 19 o 351.1035 7.163241 3618.289       147.5011 3577.816       255.5400 3638.511       180.6297 348.5717 12.52052 352.0010 8.749734 -3.429352      15.27486 
1 1 1 7   11 20 o 645.7168 8.353003 12244.56       316.3262 12329.57       449.1497 12160.90       445.5774 647.4764 11.82814 643.0344 11.81513 4.442078       16.71832 
1 1 1 7   11 21 o 331.6546 5.978610 3228.244       116.2885 3272.240       169.9657 3189.522       159.4510 333.6345 8.693808 329.4279 8.259598 4.206635       11.99180 
1 1 1 7   11 22 o 243.6838 6.123097 1744.204       87.43879 1652.195       125.9907 1829.700       121.4486 236.9236 9.084166 249.4164 8.314275 -12.49274      12.31459 
1 1 1 7   11 23 o 158.2652 7.072116 737.1216       65.47673 777.1088       112.1550 716.4460       80.64696 162.0000 11.88742 155.8652 8.858911 6.134811       14.82535 
1 1 1 7   11 24 o 624.7980 8.140794 11474.03       298.3025 11560.28       423.6951 11389.25       420.0554 626.4053 11.53314 621.7578 11.51953 4.647522       16.30070 
1 1 1 7   11 25 o 85.31138 12.47682 219.1645       60.57968 266.3589       108.1118 197.5639       73.14085 92.80074 20.41947 80.28403 16.09478 12.51670       25.99994 
1 1 1 7   11 26 o 271.0284 6.071849 2157.443       96.51312 2092.743       139.2927 2217.186       133.8502 266.5409 8.923325 274.4390 8.325788 -7.898071      12.20428 
1 1 1 7   11 27 o 228.3797 6.394623 1533.509       85.56480 1622.231       134.4451 1473.107       110.9308 234.4878 9.797880 223.6071 8.474275 10.88065       12.95422 
1 1 1 7   11 28 o 302.4406 6.141241 2687.058       108.9298 2811.625       161.6758 2583.503       147.4105 308.9363 8.932683 296.1937 8.494759 12.74265       12.32695 
1 1 1 7   11 29 o 206.6864 7.045743 1257.087       85.28131 1272.054       135.0624 1247.162       109.9780 207.3740 11.14625 205.6221 9.142664 1.751877       14.41621 
1 1 1 7   11 30 o ?        ?        -409.9386      71.60821 -650.5350      137.0602 -319.6078      83.98165 ?        ?        ?        ?        0.000000       ?        
1 1 1 7   11 31 o 313.6417 6.934036 2891.262       127.5471 2818.666       189.1163 2951.837       172.7502 309.0544 10.44885 316.4821 9.317342 -7.427612      13.99969 
1 1 1 7   11 32 o 65.29964 24.20950 102.3595       123.2287 136.0129       133.3381 -94.66938      322.6300 71.42614 25.36575 77.73409 34.71210 -6.307945      42.99245 
1 1 1 7   11 33 o 290.8369 7.524922 2490.138       128.2440 2412.194       137.4053 3016.878       357.1974 286.1411 8.196351 316.8094 19.31651 -30.66833      20.98351 
1 1 1 7   11 34 o 148.1355 10.76031 651.7529       92.84599 673.7669       96.51067 378.2828       340.1576 150.5861 11.00394 112.8020 40.46394 37.78410       41.93348 
1 1 1 7   11 35 o 256.8370 8.204510 1945.883       123.4250 1977.937       131.7752 1716.743       352.3282 258.8523 8.692563 234.9738 26.00138 23.87846       27.41592 
1 1 1 7   11 36 o 252.6396 8.338093 1884.070       123.3739 1903.485       131.1122 1734.004       364.5116 253.8400 8.820494 235.1956 26.90988 18.64442       28.31860 
1 1 1 7   11 37 o 171.5112 11.09581 875.7421       111.0107 889.4889       116.2067 732.2515       375.4413 172.7534 11.53585 144.3924 41.89157 28.36099       43.45089 
1 1 1 7   11 38 f 289.8581 8.243404 2483.500       139.9914 2436.167       148.9803 2840.613       409.2116 286.9016 8.864757 301.9028 23.29158 -15.00113      24.92151 
1 1 1 7   11 39 o 238.6975 8.292130 1687.934       115.9056 1702.230       121.8108 1551.123       376.8288 239.5901 8.683311 215.6417 30.65909 23.94835       31.86502 
1 1 1 7   11 40 o 186.3563 9.794415 1036.465       106.6708 1064.185       111.6018 743.4053       362.8708 188.7279 10.11988 138.4018 41.45955 50.32610       42.67677 
1 1 1 7   11 41 o 108.8469 15.22271 367.6946       94.52223 364.9621       97.79650 406.4648       368.3741 108.1772 15.88785 106.1183 41.25524 2.058899       44.20881 
1 1 1 7   11 42 o 80.43696 19.87123 211.7119       93.18609 234.2022       96.16404 -134.6379      377.3741 84.69324 19.72861 74.71708 34.88939 9.976166       40.08102 
1 1 1 7   11 43 o 226.4436 9.512163 1536.336       126.0438 1502.862       132.5319 1853.329       407.8409 223.6398 10.13094 226.9009 31.49626 -3.261093      33.08550 
1 1 1 7   11 44 o 179.2561 10.99889 972.8893       115.0740 1034.341       119.7929 238.6680       414.0735 184.7938 11.10456 91.50188 40.16173 93.29189       41.66864 
1 1 1 7   11 45 o 97.77040 18.85681 314.2199       104.2065 295.7551       107.6905 585.8254       413.0228 94.11679 20.11993 110.7565 43.50119 -16.63970      47.92875 
1 1 1 7   11 46 o 116.3822 16.98192 436.3193       112.4969 407.3232       117.5345 752.9957       388.4211 111.3932 18.64973 123.0294 43.33013 -11.63624      47.17322 
1 1 1 7   11 47 o 132.9842 14.95058 558.7361       114.5852 549.2326       120.1960 653.4579       379.4653 131.2063 15.94722 113.8055 42.42739 17.40089       45.32545 
1 1 1 7   11 48 o 118.0573 19.66461 466.9054       131.3665 464.6421       137.2799 491.4922       452.4626 116.9470 20.77673 98.42538 42.60664 18.52160       47.40252 
1 1 1 7   11 49 o 137.5484 17.66864 618.9088       139.2431 640.6597       144.7640 349.9496       509.0561 139.6216 18.10488 90.97961 41.78936 48.64203       45.54269 
1 1 1 7   12 0  o 765.8840 18.04002 17266.93       810.3087 16066.85       1081.218 18804.65       1223.899 737.0640 25.04891 797.1429 26.21502 -60.07892      36.25845 
1 1 1 7   12 1  o 541.8042 15.02153 8637.307       476.8564 8637.307       476.8564 0.000000       0.000000 541.8042 15.02153 ?        ?        0.000000       15.02153 
1 1 1 7   12 2  o 773.4476 13.02793 17576.03       590.9585 17209.62       673.6880 18799.11       1230.838 765.1009 15.01377 797.1047 26.36533 -32.00378      30.34046 
1 1 1 7   12 3  o 360.1184 7.632395 3805.301       161.1969 3697.185       187.7232 4108.831       314.5382 354.8058 9.028791 373.6259 14.38128 -18.82004      16.98059 
1 1 1 7   12 4  o 397.8271 8.030162 4644.122       187.3567 4613.097       219.6319 4727.031       359.0369 396.4444 9.446318 400.7152 15.30565 -4.270752      17.98599 
1 1 1 7   12 5  o 657.9232 11.32225 12709.76       436.8764 12473.87       498.9152 13485.29       904.6153 651.6490 13.05457 675.9659 22.85143 -24.31689      26.31748 
1 1 1 7   12 6  o 137.4278 7.577618 555.8148       60.83779 602.7458       70.02926 411.4062       122.8416 143.0753 8.382447 116.8290 18.54760 26.24635       20.35385 
1 1 1 7   12 7  o 424.2218 7.998252 5280.508       198.9933 5658.986       258.1415 4726.225       312.3947 439.0840 10.02443 400.9009 13.30510 38.18311       16.65878 
1 1 1 7   12 8  o 216.4973 7.687185 1376.954       97.44971 1392.583       110.1746 1320.778       208.8794 217.6717 8.647575 211.2571 17.00257 6.414536       19.07532 
1 1 1 7   12 9  f 200.1037 8.230577 1176.932       96.38469 1229.008       106.5421 942.2260       226.1875 204.4502 8.906896 177.4624 22.21818 26.98784       23.93700 
1 1 1 7   12 10 o 436.0255 6.900481 5577.661       176.4582 5693.126       269.5127 5491.026       233.4527 440.3799 10.43521 432.5453 9.202733 7.834595       13.91344 
1 1 1 7   12 11 o 534.1429 8.816023 8373.089       276.1727 7813.526       454.2154 8701.284       347.8594 515.3715 15.04375 544.3949 10.89530 -29.02344      18.57476 
1 1 1 7   12 12 o 652.9508 12.72737 12523.85       487.3823 12860.20       694.3746 12197.22       684.2620 660.8543 17.93243 643.5489 18.14781 17.30542       25.51304 
1 1 1 7   12 13 o 814.4112 11.87302 19480.35       567.0944 18894.20       944.5200 19810.76       709.1372 800.6270 20.13145 820.9383 14.72886 -20.31134      24.94423 
1 1 1 7   12 14 o 1009.772 14.34145 29973.19       849.3116 28388.99       1353.918 31001.04       1090.569 980.6913 23.54016 1026.190 18.12069 -45.49896      29.70688 
1 1 1 7   12 15 o 605.8450 9.559999 10775.82       339.6799 9968.613       536.3409 11316.44       438.9292 581.9220 15.72984 620.6426 12.05875 -38.72058      19.82022 
1 1 1 7   12 16 o 53.62300 24.00891 -69.07951      155.4388 2.922896       193.1873 -201.2717      261.7628 66.60762 28.31476 64.63776 29.79028 1.969856       41.09971 
1 1 1 7   12 17 o 361.2675 7.414224 3830.470       157.0888 3786.608       280.0634 3850.604       189.7481 358.6024 13.33983 362.1454 8.933959 -3.542938      16.05511 
1 1 1 7   12 18 o 611.5311 9.345857 10983.44       335.1878 10659.03       546.9154 11178.59       424.1895 601.4078 15.51899 616.6624 11.72903 -15.25464      19.45274 
1 1 1 7   12 19 o 219.7189 6.265035 1417.926       80.64880 1374.667       126.7138 1447.382       104.5613 216.0636 10.02715 221.8766 8.048765 -5.813004      12.85793 
1 1 1 7   12 20 f 237.2027 11.07761 1658.140       153.6791 1804.936       198.0486 1435.986       243.6359 247.1869 13.71519 219.5623 19.11072 27.62453       23.52289 
1 1 1 7   12 21 o 341.8084 6.008468 3429.256       120.4473 3459.500       172.1897 3400.279       168.5452 343.1445 8.556176 340.2030 8.447488 2.941437       12.02365 
1 1 1 7   12 22 o 423.4678 6.437548 5265.061       159.8790 5229.657       223.8293 5301.940       228.4476 421.7852 9.048467 424.6757 9.172309 -2.890472      12.88433 
1 1 1 7   12 23 o 409.7587 6.329571 4930.225       152.1083 4895.220       212.7908 4966.800       217.5143 408.0319 8.892179 410.9879 9.024188 -2.955994      12.66913 
1 1 1 7   12 24 o 163.1060 7.828397 783.6924       74.66611 1104.965       169.1911 705.9891       83.20701 192.7242 15.08915 154.6461 9.216048 38.07811       17.68100 
1 1 1 7   12 25 o 104.6713 9.957069 325.4601       60.38839 356.5904       112.4893 312.8561       71.57684 108.0824 18.40516 102.2726 12.17189 5.809837       22.06592 
1 1 1 7   12 26 o 241.9998 6.274213 1721.498       88.97301 1607.620       131.1874 1818.494       121.0739 233.4662 9.601641 248.5033 8.319177 -15.03719      12.70434 
1 1 1 7   12 27 o 229.3073 6.446926 1546.136       86.61435 1478.764       129.4739 1600.709       116.5286 223.8329 9.887373 233.0841 8.538944 -9.251266      13.06421 
1 1 1 7   12 28 o 200.3304 6.762000 1180.736       79.33222 1150.606       128.9779 1199.071       100.6165 197.1838 11.19909 201.6864 8.525553 -4.502609      14.07497 
1 1 1 7   12 29 o 193.7566 8.353539 1106.515       94.70130 1131.503       99.75916 878.6618       301.2381 195.8936 8.704987 166.6732 31.98005 29.22034       33.14363 
1 1 1 7   12 30 o 566.8623 8.508527 9454.670       282.8671 9369.974       320.3727 9754.204       602.4835 564.0358 9.684971 572.1621 17.97690 -8.126343      20.41978 
1 1 1 7   12 31 o 333.7391 7.435551 3275.029       145.5361 3246.137       156.9503 3452.271       388.7390 332.1853 8.056216 339.3840 19.61419 -7.198730      21.20422 
1 1 1 7   12 32 o 336.3078 7.449584 3326.655       146.9330 3332.941       159.1915 3290.490       381.8313 336.5379 8.065578 330.9202 19.76428 5.617676       21.34667 
1 1 1 7   12 33 o 153.7233 10.69450 701.0511       95.81512 718.6516       99.79300 493.3908       342.7794 155.5974 11.00675 124.2471 40.75182 31.35036       42.21208 
1 1 1 7   12 34 o 110.3865 14.37484 368.2583       90.85292 347.5259       94.15600 648.2952       346.0438 106.9331 15.46197 138.9259 40.19214 -31.99287      43.06368 
1 1 1 7   12 35 o 66.00592 19.72485 133.3949       82.21101 147.0852       84.61408 -97.41120      347.4231 68.96111 19.85138 79.37975 35.68928 -10.41864      40.83873 
1 1 1 7   12 36 o 109.4290 16.13190 365.8617       100.4286 388.7776       104.4588 85.95517       365.0764 112.8353 16.25336 91.20495 38.85270 21.63030       42.11536 
1 1 1 7   12 37 o 101.1622 16.56821 315.3228       94.89817 289.7177       98.71046 627.7378       344.7991 96.44973 18.11568 134.0933 40.46933 -37.64358      44.33898 
1 1 1 7   12 38 o 239.4777 8.478152 1697.754       118.8861 1659.399       124.8234 2072.396       390.1167 236.6085 9.011766 254.6603 26.50810 -18.05179      27.99806 
1 1 1 7   12 39 o 49.77838 19.88304 44.21284       87.65023 54.05241       90.45801 -106.9463      354.5490 51.78255 20.35215 76.35604 34.99934 -24.57349      40.48659 
1 1 1 7   12 40 o 69.96773 24.77456 146.3843       127.1139 141.9445       135.7809 177.8693       361.5815 70.02309 25.50404 90.95653 38.70382 -20.93343      46.35128 
1 1 1 7   12 41 o 197.0979 9.888878 1162.286       113.9436 1177.994       120.3143 1025.630       354.8674 198.2266 10.38538 164.8747 37.54335 33.35194       38.95329 
1 1 1 7   12 42 o 108.8702 15.99561 372.0045       99.08868 385.4373       102.3020 168.1944       398.4853 110.7474 16.23241 89.82214 39.41228 20.92525       42.62417 
1 1 1 7   12 43 o 67.90823 22.29405 149.6938       102.5786 146.5034       105.8648 198.7014       414.9191 67.47997 22.66400 90.27537 39.88993 -22.79539      45.87879 
1 1 1 7   12 44 o 89.24819 20.41506 266.0050       104.5315 275.9329       108.1117 123.5135       409.5805 90.76390 20.76170 85.12383 38.46772 5.640076       43.71285 
1 1 1 7   12 45 o 114.4686 16.76725 419.8805       109.2269 385.1950       113.5742 847.1241       398.6056 108.5929 18.49541 132.0223 43.97143 -23.42948      47.70290 
1 1 1 7   12 46 o 133.0526 14.73130 557.2857       113.0282 564.4668       117.8382 474.6710       399.6861 133.5511 15.32202 100.7637 41.62769 32.78735       44.35796 
1 1 1 7   12 47 f 164.1910 12.93974 835.4604       123.5958 834.0965       129.0601 850.5517       429.3028 163.6218 13.57130 124.5633 45.35232 39.05849       47.33934 
1 1 1 7   12 48 o 128.6587 18.31171 544.9736       134.2753 540.9383       139.4559 596.2793       497.2576 127.4703 19.25383 102.5984 44.53829 24.87194       48.52184 
1 1 1 7   12 49 o 64.56614 24.42457 133.1584       126.7451 146.3353       130.6029 -80.05467      525.3553 66.58816 24.87749 77.44743 37.51060 -10.85928      45.01039 
1 1 1 7   13 0  o 583.1190 11.59723 9984.671       396.6085 0.000000       0.000000 9984.671       396.6085 ?        ?        583.1190 11.59723 0.000000       11.59723 
1 1 1 7   13 1  o 316.6537 6.720727 2941.639       124.8106 2417.470       229.9431 3160.571       148.6071 286.5233 13.72380 328.2016 7.720554 -41.67831      15.74642 
1 1 1 7   13 2  o 200.3322 6.901795 1178.811       80.96815 977.4490       177.9891 1231.354       90.92029 181.5332 16.91268 204.7190 7.585842 -23.18579      18.53601 
1 1 1 7   13 3  o 397.1674 9.685495 4629.878       225.6036 4443.229       286.0804 4936.870       366.8922 388.7548 12.56414 409.5568 15.30165 -20.80200      19.79894 
1 1 1 7   13 4  o 68.26169 9.538363 139.4087       37.14465 131.6402       41.83095 168.3693       80.76675 66.05222 11.19799 74.20674 18.59727 -8.154518      21.70837 
1 1 1 7   13 5  o 476.4195 9.040029 6661.073       252.5863 6660.707       296.5407 6662.043       482.1216 476.3348 10.61504 475.6391 17.31226 0.6957092      20.30747 
1 1 1 7   13 6  o 350.1482 7.743669 3597.302       159.0191 3703.280       191.3412 3360.655       285.9240 355.1075 9.195250 337.8836 14.46235 17.22397       17.13803 
1 1 1 7   13 7  o 400.7225 7.096255 4711.101       166.7721 5051.128       240.7401 4397.355       231.2489 414.8351 9.895149 386.9134 10.19986 27.92172       14.21095 
1 1 1 7   13 8  o 443.1004 8.534491 5761.563       221.7840 5974.542       280.9823 5409.582       361.2200 451.1258 10.62015 428.8261 14.38318 22.29968       17.87914 
1 1 1 7   13 9  f 486.4464 7.391618 6942.778       210.8750 7397.519       336.5508 6648.852       270.5747 501.9293 11.43293 475.9424 9.693537 25.98688       14.98921 
1 1 1 7   13 10 o 712.9393 10.62244 14922.51       444.1476 15436.81       803.7559 14696.44       532.9005 723.9382 18.94723 707.3239 12.84628 16.61432       22.89157 
1 1 1 7   13 11 o 428.6263 9.497527 5392.679       238.7481 0.000000       0.000000 5392.679       238.7481 ?        ?        428.6263 9.497527 0.000000       9.497527 
1 1 1 7   13 12 o 920.1467 13.20814 24876.93       712.7697 24380.10       1203.169 25145.57       884.7288 909.1842 22.56442 924.6196 16.31536 -15.43536      27.84500 
1 1 1 7   13 13 f 244.7036 14.73456 1766.817       210.4803 1674.451       268.3564 1914.473       339.2972 237.6402 19.42423 253.6788 23.05748 -16.03860      30.14876 
1 1 1 7   13 14 o 1072.038 18.51521 33848.93       1164.097 33374.77       1604.497 34375.89       1691.511 1062.334 25.75298 1077.787 26.76033 -15.45300      37.13935 
1 1 1 7   13 15 f 529.4210 8.698847 8227.630       270.0930 7805.573       439.2653 8484.197       342.4859 514.9771 14.55876 537.4556 10.86550 -22.47852      18.16636 
1 1 1 7   13 16 o 881.0170 12.59626 22816.74       650.8432 21615.13       1037.713 23595.91       835.6288 855.7316 20.67708 895.2805 15.91490 -39.54889      26.09263 
1 1 1 7   13 17 f 504.3775 8.259648 7468.849       244.3249 6942.562       383.4965 7828.408       316.9829 485.6130 13.47848 516.1874 10.47075 -30.57440      17.06769 
1 1 1 7   13 18 o 627.2812 8.218019 11553.85       302.3291 11162.53       405.5562 12043.33       453.5787 616.2105 11.22203 639.9332 12.08558 -23.72266      16.49228 
1 1 1 7   13 19 o 503.0382 7.069006 7428.608       208.5498 7124.142       278.0252 7820.331       315.3578 492.3868 9.627805 515.7927 10.42504 -23.40594      14.19071 
1 1 1 7   13 20 o 179.3577 6.138418 945.3303       64.47426 1100.410       114.3243 873.0039       78.07467 193.2016 10.12502 172.2381 7.748969 20.96346       12.75000 
1 1 1 7   13 21 o 223.6791 5.898243 1469.635       77.30710 1556.128       126.9786 1418.693       97.44897 229.8742 9.438749 219.6426 7.576366 10.23167       12.10336 
1 1 1 7   13 22 o 94.29057 9.413343 264.0454       51.36007 424.9629       111.4566 220.6637       57.87051 118.7623 16.44269 85.75545 11.82064 33.00683       20.25067 
1 1 1 7   13 23 o 129.4908 7.282897 494.1889       55.08583 630.3310       109.3372 447.8764       63.77069 145.6107 12.93793 123.0919 8.893637 22.51876       15.69989 
1 1 1 7   13 24 o 484.5934 6.950628 6899.302       197.5386 6860.195       273.5235 6941.936       285.5908 482.7889 9.660214 485.5873 10.02828 -2.798340      13.92430 
1 1 1 7   13 25 o 129.9536 13.67813 504.6337       102.6861 576.7967       112.0039 124.2582       257.1473 138.9838 13.92850 85.01079 34.02246 53.97299       36.76318 
1 1 1 7   13 26 o 189.2542 10.11851 1058.221       111.9003 1041.464       122.3477 1143.959       276.7481 187.5912 11.17131 193.2887 24.99825 -5.697479      27.38084 
1 1 1 7   13 27 o 456.7545 7.358282 6133.452       197.1105 6363.333       227.9489 5452.083       392.4432 465.0619 8.357497 428.4261 15.64517 36.63580       17.73751 
1 1 1 7   13 28 o 175.6489 8.328577 909.7161       85.55157 927.0123       89.52041 727.5251       290.5428 177.2782 8.636247 150.7921 33.70228 26.48607       34.79121 
1 1 1 7   13 29 o 397.1945 7.387362 4638.083       172.0850 4656.346       190.8257 4558.563       398.1876 397.8611 8.178146 391.1374 17.40189 6.723694       19.22779 
1 1 1 7   13 30 o 177.5088 9.546667 930.6560       99.01967 939.5441       103.4258 832.9592       342.8987 178.3047 9.929661 160.3983 37.17826 17.90643       38.48144 
1 1 1 7   13 31 o 442.4052 7.742334 5757.000       200.8827 5873.047       225.2327 5305.670       444.1821 446.6820 8.597705 421.5005 18.01004 25.18149       19.95700 
1 1 1 7   13 32 o 134.4975 11.98627 538.9355       93.55760 525.3495       97.38399 701.6995       337.0716 132.6546 12.67122 145.9097 38.74408 -13.25511      40.76351 
1 1 1 7   13 33 o 180.7155 9.533258 965.9594       100.6812 881.4188       104.3495 2105.364       383.0867 172.4654 10.36446 261.4874 25.29570 -89.02197      27.33669 
1 1 1 7   13 34 o 51.87302 19.85001 57.22567       84.31569 44.16338       87.38000 233.7247       321.1986 50.39701 19.94232 98.63245 38.47250 -48.23544      43.33393 
1 1 1 7   13 35 o 205.9247 9.100688 1253.998       109.6375 1216.756       114.9005 1632.818       366.4554 202.7232 9.692317 227.6251 28.04265 -24.90187      29.67038 
1 1 1 7   13 36 f 185.1044 13.33786 1025.505       143.8241 1068.734       155.3347 765.8241       380.7161 188.7530 14.13480 147.8536 41.96354 40.89935       44.28014 
1 1 1 7   13 37 o ?        ?        -513.5608      134.1601 -447.1579      144.0176 -949.4203      368.9736 32.37372 16.31956 54.06453 27.09915 -21.69081      31.63371 
1 1 1 7   13 38 o 188.1407 10.06019 1054.105       110.6006 1065.569       115.9828 939.1155       367.3328 189.0344 10.50298 161.3294 39.21191 27.70503       40.59417 
1 1 1 7   13 39 o 153.3269 10.91353 705.1677       97.49577 724.4675       101.3183 463.7774       358.3206 155.3303 11.19710 113.0051 41.38844 42.32529       42.87631 
1 1 1 7   13 40 o 136.2865 12.67863 564.1088       100.1765 571.3151       103.7681 465.3812       384.0877 137.0145 13.07184 111.3477 42.42556 25.66680       44.39371 
1 1 1 7   13 41 o 190.0207 9.835427 1080.861       109.2356 1100.323       113.6293 843.6996       396.6609 191.6026 10.14822 141.9693 43.52063 49.63339       44.68816 
1 1 1 7   13 42 o 207.3560 10.07185 1290.818       122.1168 1311.657       128.0355 1080.923       406.3397 208.8232 10.48802 160.4521 42.50847 48.37114       43.78320 
1 1 1 7   13 43 o 99.90374 18.73780 324.6493       105.7550 366.3220       109.9211 -194.0603      387.8084 106.5177 18.25215 71.52747 33.99362 34.99020       38.58377 
1 1 1 7   13 44 o 164.2938 12.81273 828.7968       122.4807 810.6963       128.4209 1010.985       407.4289 161.9976 13.64357 148.1142 43.82519 13.88345       45.89983 
1 1 1 7   13 45 o 91.11410 22.40622 286.5667       118.8829 274.4128       123.8937 427.7677       422.2900 88.56078 23.47690 99.03285 41.97107 -10.47207      48.09091 
1 1 1 7   13 46 o 70.99371 23.73263 172.6194       116.0982 162.7318       121.2757 281.0607       401.6272 69.51439 24.23170 89.21433 39.34090 -19.69994      46.20478 
1 1 1 7   13 47 o 95.38074 22.51623 318.8147       123.9173 279.3337       129.3899 756.1472       430.6379 88.07230 24.27285 116.3709 44.77644 -28.29865      50.93231 
1 1 1 7   13 48 o 157.0220 14.67571 778.9228       133.5826 842.0063       138.4034 -79.60933      510.5836 163.3558 14.60022 77.72726 37.48233 85.62849       40.22551 
1 1 1 7   14 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   14 1  o 425.6720 13.36540 5327.861       333.2491 5327.861       333.2491 0.000000       0.000000 425.6720 13.36540 ?        ?        0.000000       13.36540 
1 1 1 7   14 2  o 214.0754 16.06209 1354.752       200.1894 1354.752       200.1894 0.000000       0.000000 214.0754 16.06209 ?        ?        0.000000       16.06209 
1 1 1 7   14 3  o 791.3749 19.72403 18434.58       915.4371 18434.58       915.4371 0.000000       0.000000 791.3749 19.72403 ?        ?        0.000000       19.72403 
1 1 1 7   14 4  o 1070.150 20.20850 33717.05       1268.321 31945.12       1482.570 38553.36       2449.333 1040.725 24.29007 1138.530 36.73006 -97.80444      44.03526 
1 1 1 7   14 5  o 100.3365 7.698051 297.1237       44.95321 16.72930       167.8439 318.7910       46.65776 63.54620 26.66965 103.9506 7.708109 -40.40436      27.76122 
1 1 1 7   14 6  o 472.3710 8.329725 6547.719       230.7621 6322.053       381.0725 6678.388       289.9749 463.6516 14.03024 476.9698 10.36619 -13.31818      17.44436 
1 1 1 7   14 7  o 653.6998 10.73648 12545.57       411.6146 13203.38       698.2628 12195.25       509.5626 669.6948 17.79412 644.2886 13.48548 25.40619       22.32686 
1 1 1 7   14 8  o 355.8981 11.01316 3722.531       229.5966 3860.712       318.3294 3572.709       331.4660 362.1091 15.02211 348.1899 16.27706 13.91925       22.14964 
1 1 1 7   14 9  o 421.5089 9.659363 5215.194       238.7843 0.000000       0.000000 5215.194       238.7843 ?        ?        421.5089 9.659363 0.000000       9.659363 
1 1 1 7   14 10 o 376.1304 11.93691 4159.298       262.9848 4599.804       369.8643 3708.878       374.0035 395.1761 15.99187 354.5447 18.04617 40.63141       24.11232 
1 1 1 7   14 11 o 1147.986 19.81661 38821.54       1334.186 40341.96       1980.232 37557.59       1805.499 1167.253 28.92681 1126.838 27.32028 40.41492       39.78891 
1 1 1 7   14 12 o 726.3784 13.61412 15507.10       579.9669 16043.51       839.0512 15016.33       802.5593 737.7216 19.40988 713.7408 19.19024 23.98077       27.29485 
1 1 1 7   14 13 o 301.0595 11.44779 2666.165       201.7588 2678.082       261.6567 2648.689       316.8643 301.4118 14.84772 299.3625 18.13288 2.049377       23.43621 
1 1 1 7   14 14 o 744.4857 13.59350 16294.82       593.5237 16347.52       828.7486 16239.33       850.4089 744.5405 18.99498 741.9446 19.56072 2.595947       27.26593 
1 1 1 7   14 15 o 554.4883 11.29401 9033.701       367.2749 8922.325       493.0635 9172.524       550.4765 550.3965 15.28965 557.8063 16.84623 -7.409790      22.75014 
1 1 1 7   14 16 o 212.0763 8.711786 1322.856       108.1246 1413.791       116.9066 784.9050       284.3444 219.2264 9.112629 159.5551 31.50517 59.67128       32.79659 
1 1 1 7   14 17 o 704.6366 13.06306 14608.54       539.8347 14711.97       749.3491 14496.95       778.3602 705.8090 18.11781 700.3918 18.96658 5.417175       26.22949 
1 1 1 7   14 18 o 712.4769 9.561051 14915.47       399.5094 15015.57       467.9498 14646.36       767.2650 714.6022 11.16566 703.8098 18.60461 10.79242       21.69800 
1 1 1 7   14 19 o 125.4920 8.135517 464.4930       59.55315 465.6281       61.37884 446.2588       246.0027 125.6238 8.378883 119.9457 33.62461 5.678085       34.65285 
1 1 1 7   14 20 o 404.9840 6.799158 4815.741       161.4892 4847.873       182.5995 4700.379       345.9882 406.2612 7.663791 398.8602 14.81650 7.401001       16.68119 
1 1 1 7   14 21 o 278.9310 6.540511 2284.577       106.9939 2282.782       117.4158 2293.363       259.7713 278.6897 7.189818 278.0778 15.99598 0.6119690      17.53753 
1 1 1 7   14 22 o 464.2933 7.237563 6332.980       197.0767 6352.214       225.9765 6271.881       402.7673 464.8642 8.288704 460.4289 14.93537 4.435272       17.08122 
1 1 1 7   14 23 o 569.8137 8.266812 9546.218       276.2622 9510.206       317.5834 9658.223       560.0879 568.4928 9.525379 570.5793 16.75562 -2.086487      19.27391 
1 1 1 7   14 24 o 380.9692 6.723256 4264.141       150.2173 4256.659       167.6507 4294.608       338.3076 380.5445 7.511891 380.5437 15.18903 0.7629395E-03  16.94506 
1 1 1 7   14 25 o 41.39626 15.16082 40.84860       48.07857 45.68904       48.83125 -112.5455      274.8907 42.70266 15.32964 70.45515 31.70548 -27.75250      35.21698 
1 1 1 7   14 26 o 41.28532 18.97467 -75.81149      105.1644 -21.90022      113.4097 -406.6479      280.9423 48.24544 21.10116 57.79706 27.85441 -9.551624      34.94463 
1 1 1 7   14 27 o 58.28600 22.68468 65.31716       111.4735 102.3157       120.9892 -142.5250      286.7618 65.05340 24.01198 70.41224 31.96613 -5.358841      39.98010 
1 1 1 7   14 28 o 177.8082 12.57021 938.5635       130.2377 1044.360       146.5170 540.2610       284.2879 187.4560 13.41588 129.7223 36.06655 57.73375       38.48093 
1 1 1 7   14 29 o 300.4562 7.711709 2656.321       135.7761 2639.636       145.8309 2764.955       372.1045 299.4270 8.312435 303.2354 21.05426 -3.808380      22.63577 
1 1 1 7   14 30 o 34.19165 15.83097 -62.39445      75.17048 -50.48559      76.97346 -307.7057      349.3531 35.89482 16.39820 71.25140 33.36791 -35.35659      37.17955 
1 1 1 7   14 31 o 595.3475 8.778723 10437.30       306.5155 10427.93       349.0781 10468.82       640.5358 594.7064 10.00851 591.7286 18.48005 2.977783       21.01624 
1 1 1 7   14 32 o 226.2429 8.564730 1509.755       113.4369 1521.815       119.1063 1392.042       372.1071 227.0837 8.960901 209.9361 31.16709 17.14757       32.42970 
1 1 1 7   14 33 o 71.32513 19.64817 157.9663       84.80412 123.7530       87.79752 634.1983       327.5623 64.51389 20.58079 137.7416 38.86641 -73.22772      43.97916 
1 1 1 7   14 34 o 129.4694 12.63387 502.0226       94.71078 552.9800       98.23602 -169.9949      356.7448 135.9761 12.45675 76.95714 35.21207 59.01894       37.35051 
1 1 1 7   14 35 o 198.9530 9.216318 1171.264       107.2449 1240.170       112.1815 439.6094       365.5471 204.7032 9.369126 117.7763 41.98122 86.92683       43.01398 
1 1 1 7   14 36 o 190.7413 9.642620 1078.882       107.5175 1051.349       111.6216 1432.780       400.1858 188.1717 10.15206 208.1999 33.94237 -20.02815      35.42808 
1 1 1 7   14 37 o 115.9792 14.63139 409.7211       97.31094 449.9885       100.4588 -202.7644      391.7954 121.7051 14.34991 77.59750 36.00228 44.10764       38.75673 
1 1 1 7   14 38 o 64.12943 24.49721 100.6419       128.2689 193.6401       135.8048 -668.2321      390.4859 78.32364 25.64837 61.67690 30.38610 16.64674       39.76373 
1 1 1 7   14 39 o 101.0863 24.25331 339.3902       141.9424 378.5070       151.9285 70.83421       398.0845 106.6231 24.77039 87.69160 38.89391 18.93154       46.11191 
1 1 1 7   14 40 o 46.40808 19.67340 14.42871       92.82452 -10.31645      95.23644 484.4883       415.0825 44.05076 19.29983 112.1722 43.74051 -68.12141      47.80916 
1 1 1 7   14 41 o 98.46456 18.35372 311.0942       102.0892 304.0557       105.1762 425.7445       424.4880 96.96117 19.17523 106.4108 43.30864 -9.449669      47.36378 
1 1 1 7   14 42 o 72.72379 21.83682 175.6629       100.5765 214.2546       103.7774 -421.1460      408.1060 79.95001 21.61807 66.72116 32.48647 13.22885       39.02194 
1 1 1 7   14 43 o 55.79690 21.95411 73.69781       105.3598 98.02677       109.0266 -269.8495      409.6983 59.75265 22.64185 70.52583 33.89888 -10.77318      40.76503 
1 1 1 7   14 44 o 85.70824 21.66625 250.5566       108.9466 247.0181       112.7780 299.9956       421.5522 84.78043 22.36360 93.02414 40.68433 -8.243713      46.42570 
1 1 1 7   14 45 o 153.5978 13.91875 734.9789       124.0225 741.4232       130.0488 670.2401       412.1964 153.8366 14.58873 114.5417 43.87477 39.29496       46.23664 
1 1 1 7   14 46 f 38.72189 18.33760 -102.9482      110.9198 -91.36074      115.9394 -228.1399      381.0883 40.58041 19.07347 67.13297 32.37563 -26.55256      37.57631 
1 1 1 7   14 47 o 195.4944 12.39723 1180.054       141.4057 1142.808       149.0279 1516.474       447.8879 191.6153 13.34472 177.9815 43.32272 13.63388       45.33144 
1 1 1 7   14 48 o 153.1025 15.50145 747.7409       137.2733 713.0043       142.8993 1163.011       494.0854 148.5443 16.69150 137.2746 48.82036 11.26968       51.59490 
1 1 1 7   15 0  o 472.6917 8.398380 6556.690       232.8220 5999.495       377.3075 6899.307       295.8669 451.6354 14.26270 484.7925 10.40615 -33.15710      17.65538 
1 1 1 7   15 1  o 68.33947 28.73906 17.21754       195.5139 17.21754       195.5139 0.000000       0.000000 68.33947 28.73906 ?        ?        0.000000       28.73906 
1 1 1 7   15 2  o 395.7179 13.63352 4605.957       315.9331 4605.957       315.9331 0.000000       0.000000 395.7179 13.63352 ?        ?        0.000000       13.63352 
1 1 1 7   15 3  f 358.0492 13.66971 3771.906       286.5195 3771.906       286.5195 0.000000       0.000000 358.0492 13.66971 ?        ?        0.000000       13.66971 
1 1 1 7   15 4  o 602.6476 9.760629 10660.40       344.9783 9489.825       502.8555 11701.16       474.1546 568.0109 15.10852 631.1572 12.80949 -63.14636      19.80784 
1 1 1 7   15 5  o 306.8327 10.02622 2766.566       180.1796 2508.723       255.4112 3022.006       254.2179 291.7706 14.97626 320.4315 13.55823 -28.66095      20.20183 
1 1 1 7   15 6  o 508.0728 7.816449 7574.505       232.9088 7640.750       454.3769 7550.896       271.2551 509.6030 15.22021 507.2210 9.118643 2.382050       17.74273 
1 1 1 7   15 7  o 551.2285 9.880868 8919.557       319.4312 9430.896       540.5898 8645.240       395.9485 566.0613 16.30071 542.5178 12.44441 23.54346       20.50796 
1 1 1 7   15 8  o 524.5677 11.73912 8081.427       361.1500 8395.774       510.3622 7766.139       511.1250 534.0460 16.31394 513.5251 16.99470 20.52081       23.55769 
1 1 1 7   15 9  o 820.4745 14.93078 19790.81       718.4525 20093.59       1020.335 19493.07       1011.809 825.4105 21.09495 812.9424 21.24028 12.46802       29.93571 
1 1 1 7   15 10 o 643.2662 12.74868 12157.61       480.9572 12361.89       677.7867 11950.42       682.5912 647.7990 17.85734 636.8459 18.29473 10.95306       25.56525 
1 1 1 7   15 11 o 597.3110 12.24038 10481.92       428.7914 10690.66       600.0086 10264.03       613.0054 602.4655 16.99844 590.1973 17.73002 12.26825       24.56218 
1 1 1 7   15 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   15 13 o 56.02513 24.59949 -39.64242      155.4780 7.135404       188.5462 -139.0407      274.8446 66.17062 28.04436 70.08323 31.60587 -3.912605      42.25420 
1 1 1 7   15 14 o 349.3998 10.52537 3589.398       215.4345 3646.559       282.0038 3509.283       333.8593 351.8519 13.69224 344.7957 16.55855 7.056183       21.48635 
1 1 1 7   15 15 o 131.8381 20.71556 525.7050       154.8962 419.2517       188.3898 747.8429       272.1380 116.4712 27.93889 155.7583 30.88250 -39.28706      41.64505 
1 1 1 7   15 16 o 836.7858 28.30916 20881.14       1387.286 20881.14       1387.286 0.000000       0.000000 836.7858 28.30916 ?        ?        0.000000       28.30916 
1 1 1 7   15 17 o 307.4934 10.63836 2782.848       191.5606 2840.384       241.3763 2684.954       314.8514 310.3425 13.29260 301.0077 17.91624 9.334778       22.30885 
1 1 1 7   15 18 o 419.7647 8.462602 5176.087       208.3341 5227.192       246.8231 5049.472       388.5053 421.6860 9.980357 413.3436 16.05692 8.342468       18.90588 
1 1 1 7   15 19 o 404.0280 6.791698 4792.937       160.9312 4799.929       181.3865 4767.074       348.8416 404.2527 7.650705 401.6962 14.83292 2.556488       16.68978 
1 1 1 7   15 20 o 150.0516 7.720806 663.2131       67.71596 673.0226       71.33879 573.9250       215.2284 151.1283 8.078117 135.8937 27.93926 15.23463       29.08364 
1 1 1 7   15 21 o 480.1304 7.415040 6772.806       208.7965 6842.472       240.3747 6558.680       421.4175 482.4495 8.495448 470.7809 15.28337 11.66861       17.48582 
1 1 1 7   15 22 o 157.5949 7.770195 731.7181       71.59512 743.8063       74.77472 598.5798       248.1566 158.8672 8.051715 137.7378 31.41775 21.12946       32.43309 
1 1 1 7   15 23 o 84.89916 10.73620 215.7010       52.26366 222.7318       53.44880 62.40999       249.5698 86.28310 10.79817 79.00485 32.78959 7.278244       34.52184 
1 1 1 7   15 24 o 120.2074 9.268214 427.8521       64.83559 445.3219       66.87999 155.1343       264.2465 122.6384 9.369577 88.44707 34.77814 34.19128       36.01816 
1 1 1 7   15 25 o 280.1451 6.865983 2306.477       112.8070 2337.721       120.7751 2092.851       315.8037 281.9004 7.311357 263.7844 20.57617 18.11597       21.83655 
1 1 1 7   15 26 o 225.2231 9.599816 1496.719       126.5113 1496.370       137.3599 1498.669       324.7917 225.0708 10.43455 221.3266 25.48672 3.744186       27.54002 
1 1 1 7   15 27 o 139.6530 15.24292 584.8436       122.8198 656.3682       133.3975 186.7429       314.7143 147.9637 15.60726 96.00296 37.89116 51.96078       40.97959 
1 1 1 7   15 28 o ?        ?        -524.7080      134.9833 -595.2647      147.6798 -166.4915      332.7552 ?        ?        75.51851 34.34314 0.000000       34.34314 
1 1 1 7   15 29 o 84.10560 25.55919 215.8151       137.2023 316.4943       147.8897 -406.2085      367.5966 100.4414 25.16145 69.90449 33.18585 30.53695       41.64612 
1 1 1 7   15 30 o 109.0380 13.57978 357.2418       84.96350 370.5689       87.50819 138.0371       354.8994 111.0543 13.72775 95.90471 39.38227 15.14961       41.70628 
1 1 1 7   15 31 o 359.2779 7.738973 3798.220       163.0663 3835.621       176.7554 3584.431       422.5955 360.9404 8.350001 344.6713 21.00566 16.26910       22.60443 
1 1 1 7   15 32 o 159.1027 10.41739 750.7081       96.66997 666.1093       100.6477 1757.979       347.2921 149.6283 11.55893 238.7757 25.17879 -89.14737      27.70524 
1 1 1 7   15 33 o 121.2593 13.61335 442.2283       95.14240 439.5480       98.55362 478.9476       364.7806 120.7583 14.18593 122.2262 42.05508 -1.467964      44.38322 
1 1 1 7   15 34 o 148.7558 11.53649 659.5097       99.86027 609.3222       103.4784 1339.778       380.9709 142.7483 12.48584 203.1807 33.11033 -60.43236      35.38630 
1 1 1 7   15 35 o 98.23489 17.20498 298.1145       95.51195 335.0821       98.46194 -291.2356      393.1371 104.4432 16.63173 75.48389 35.36521 28.95934       39.08085 
1 1 1 7   15 36 o 69.41666 26.21255 119.1760       145.8302 143.4358       159.8386 -1.311111      356.2123 74.02328 27.54777 84.05100 37.05755 -10.02772      46.17512 
1 1 1 7   15 37 o 107.9211 21.38823 371.5959       130.5867 381.8303       140.4619 306.3932       354.5363 108.9306 22.72293 102.5687 40.29813 6.361900       46.26307 
1 1 1 7   15 38 o 84.84721 25.80014 236.5105       139.7728 246.2007       149.9251 172.1428       386.4037 86.43371 26.80218 93.32091 39.86909 -6.887199      48.04062 
1 1 1 7   15 39 o 48.93438 19.87869 38.19058       89.23408 31.53920       91.65167 159.3019       391.0901 48.48688 19.97274 91.34177 39.57586 -42.85490      44.33011 
1 1 1 7   15 40 o 70.52469 27.98850 122.4481       172.5862 166.6831       190.6073 -78.85939      406.6179 76.85056 29.73116 79.87679 36.92580 -3.026222      47.40735 
1 1 1 7   15 41 o 37.62791 17.57716 -78.59503      95.93026 -58.98370      98.59635 -426.5831      415.3264 39.89388 18.34885 67.86191 32.98058 -27.96803      37.74120 
1 1 1 7   15 42 o 238.7091 9.383801 1707.611       131.1147 1706.335       137.8795 1719.665       423.7921 238.3396 9.885455 212.8152 35.18298 25.52431       36.54538 
1 1 1 7   15 43 o 45.89035 19.93445 3.333661       99.75191 -23.26291      103.2460 376.4441       386.7046 43.86694 19.60931 97.94386 40.74687 -54.07692      45.21982 
1 1 1 7   15 44 o 46.10685 20.45423 -12.52004      110.1571 -29.36519      113.6959 245.5133       444.9848 45.23887 20.37137 90.26250 40.50190 -45.02363      45.33648 
1 1 1 7   15 45 o 74.65001 22.82607 193.3604       109.2050 172.4196       113.2484 471.0070       412.3654 70.96459 23.43099 100.1718 41.90574 -29.20719      48.01148 
1 1 1 7   15 46 o 110.7584 19.71091 410.7746       123.3430 423.3237       129.5111 288.3637       404.4932 111.9365 20.48263 88.65197 39.26870 23.28457       44.28961 
1 1 1 7   15 47 o 153.5886 15.38209 750.5728       136.6933 741.8307       144.1752 828.3030       429.9123 151.8495 16.45174 120.5283 45.11416 31.32121       48.02028 
1 1 1 7   15 48 o 88.49319 23.84117 284.0378       126.4955 313.2426       132.1021 -38.27895      438.8585 92.86092 24.06268 74.81042 35.72345 18.05050       43.07177 
1 1 1 7   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   16 1  o 1023.187 19.77580 30827.64       1186.696 0.000000       0.000000 30827.64       1186.696 ?        ?        1023.187 19.77580 0.000000       19.77580 
1 1 1 7   16 2  o 368.2121 8.427048 3978.756       181.9801 0.000000       0.000000 3978.756       181.9801 ?        ?        368.2121 8.427048 0.000000       8.427048 
1 1 1 7   16 3  o 435.7232 9.749321 5572.984       249.1355 0.000000       0.000000 5572.984       249.1355 ?        ?        435.7232 9.749321 0.000000       9.749321 
1 1 1 7   16 4  o 855.9296 13.10098 21523.38       657.6461 20150.20       980.6225 22645.81       886.5765 827.1071 20.21574 877.3649 17.23001 -50.25781      26.56217 
1 1 1 7   16 5  o 157.4675 7.825635 729.4000       72.04405 949.0659       252.8285 709.9874       75.16006 177.5927 24.96259 155.3229 8.280827 22.26987       26.30025 
1 1 1 7   16 6  o 247.4063 7.750746 1797.887       112.3230 0.000000       0.000000 1797.887       112.3230 ?        ?        247.4063 7.750746 0.000000       7.750746 
1 1 1 7   16 7  o 703.6931 11.63171 14543.56       480.0400 14988.25       792.7090 14286.06       603.2223 713.1911 18.96894 697.1017 14.75471 16.08936       24.03169 
1 1 1 7   16 8  o 317.5215 9.956634 2962.850       185.1821 3233.008       335.6924 2844.677       222.0194 330.9932 17.35369 310.9467 12.19826 20.04654       21.21198 
1 1 1 7   16 9  o 511.5212 11.54031 7685.482       346.2035 7909.922       479.3435 7440.739       500.5565 518.3228 15.78711 502.5363 17.00832 15.78647       23.20594 
1 1 1 7   16 10 o 835.5514 15.01272 20532.68       735.6703 20031.01       995.2968 21136.82       1092.237 824.2141 20.59027 846.0402 22.03156 -21.82611      30.15541 
1 1 1 7   16 11 o 584.4227 11.88338 10035.00       407.3029 9735.379       534.9947 10448.10       628.1906 574.9771 15.88051 595.3135 18.01338 -20.33636      24.01400 
1 1 1 7   16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   16 13 o 904.6010 15.89200 24096.05       843.1136 22930.72       1101.472 25744.86       1310.192 880.9915 21.31823 932.2645 23.98314 -51.27301      32.08828 
1 1 1 7   16 14 o 675.4482 12.79419 13418.57       506.8219 14293.10       747.9845 12676.25       689.1356 695.7751 18.34646 655.3096 17.94803 40.46545       25.66563 
1 1 1 7   16 15 o 156.8286 16.95598 733.7126       153.4778 728.2861       186.0976 745.2522       271.3797 155.5502 20.93016 155.3236 30.87904 0.2265930      37.30398 
1 1 1 7   16 16 o 288.6557 10.45806 2452.481       176.7517 2383.486       219.1432 2580.917       298.9938 284.2462 13.18157 295.1826 17.34761 -10.93640      21.78746 
1 1 1 7   16 17 o 634.1962 11.94611 11836.16       444.3250 11821.44       609.7833 11852.81       648.7678 632.5881 16.45026 633.1245 17.48904 -0.5363770     24.00994 
1 1 1 7   16 18 o 121.7365 9.718273 438.4684       68.80848 463.3083       71.77553 156.5178       241.8179 125.1427 9.859157 86.98479 33.53148 38.15795       34.95087 
1 1 1 7   16 19 o 194.4664 8.154216 1113.185       92.79243 1111.367       100.6735 1123.449       239.2399 194.2404 8.860744 193.2133 21.47519 1.027084       23.23137 
1 1 1 7   16 20 o 209.9048 6.970727 1295.593       85.69356 1305.033       91.04227 1222.260       253.7488 210.6338 7.381359 201.3931 21.83249 9.240677       23.04652 
1 1 1 7   16 21 o 299.3973 6.624939 2632.879       116.3269 2650.536       127.3544 2543.965       285.7885 300.3524 7.229903 292.5464 16.72682 7.806000       18.22245 
1 1 1 7   16 22 o 138.7559 8.619477 568.4465       69.79640 593.2877       72.82282 288.0769       244.6509 141.7463 8.803476 100.2656 34.44315 41.48065       35.55041 
1 1 1 7   16 23 o 248.2803 6.822499 1812.712       99.24860 1834.144       106.1103 1662.897       280.5496 249.6991 7.253548 235.0902 20.55467 14.60889       21.79698 
1 1 1 7   16 24 o 170.1822 7.913175 853.5738       78.76347 873.1547       82.11314 628.1568       278.6054 172.1002 8.158663 139.9498 34.23171 32.15044       35.19054 
1 1 1 7   16 25 o 311.1285 6.917758 2845.085       126.2280 2847.868       135.8589 2827.516       341.3396 311.2245 7.443272 307.3072 19.03268 3.917267       20.43637 
1 1 1 7   16 26 o 337.3163 8.284260 3347.500       163.8859 3376.032       185.5512 3246.274       349.4931 338.4706 9.356406 329.6574 18.14696 8.813171       20.41701 
1 1 1 7   16 27 o 70.94426 24.71031 137.4365       126.1001 167.8002       135.3382 -62.47351      347.2646 76.47108 25.62475 82.82938 36.55112 -6.358299      44.63868 
1 1 1 7   16 28 o 369.6066 7.670098 4017.159       166.2613 3937.147       178.5382 4539.659       456.2415 365.8164 8.321803 389.2523 20.05301 -23.43591      21.71118 
1 1 1 7   16 29 o 53.33075 23.19313 -17.80163      135.3533 41.32850       149.1037 -294.7600      322.6943 61.86690 25.47858 68.14857 31.96433 -6.281670      40.87636 
1 1 1 7   16 30 o 305.0028 7.795083 2738.897       139.3218 2730.666       148.8206 2797.274       396.3193 304.4550 8.342549 303.8877 22.39459 0.5673828      23.89803 
1 1 1 7   16 31 o 317.0835 7.996402 2961.771       148.5840 2951.021       158.7050 3038.080       422.8420 316.4019 8.560520 316.0175 22.97164 0.3843994      24.51487 
1 1 1 7   16 32 o 86.04831 18.48535 230.4160       90.50389 252.0189       93.40377 -101.3756      366.0513 90.11263 18.29916 81.67115 36.68360 8.441475       40.99446 
1 1 1 7   16 33 o 42.32399 18.43724 -12.70766      85.83687 3.558891       88.18404 -306.1319      374.5331 44.89441 19.10896 73.27571 34.39046 -28.38130      39.34280 
1 1 1 7   16 34 o 273.1029 8.573614 2202.572       137.1521 2236.225       144.7909 1908.647       427.9067 275.0884 8.986730 244.4295 30.51275 30.65897       31.80864 
1 1 1 7   16 35 o 287.4074 8.474824 2440.782       142.6936 2400.568       152.0922 2736.324       412.3122 284.8580 9.115650 296.7530 23.89264 -11.89502      25.57251 
1 1 1 7   16 36 o 60.20009 24.53439 55.78083       136.4495 115.6480       145.8987 -362.0011      385.4179 68.74101 26.15840 70.92006 33.75715 -2.179047      42.70605 
1 1 1 7   16 37 o 166.2240 14.82875 840.4230       143.0439 821.1711       154.5127 955.8547       378.3470 163.6846 16.31251 160.9631 40.20092 2.721497       43.38447 
1 1 1 7   16 38 o 207.5736 9.338249 1283.583       113.3900 1288.757       118.5707 1228.222       387.8359 207.8445 9.754423 183.4430 37.32086 24.40155       38.57454 
1 1 1 7   16 39 o 100.2334 23.00784 333.2431       132.3840 334.7155       140.8101 322.0333       388.5256 99.90119 24.27514 100.4430 41.22141 -0.5418015     47.83813 
1 1 1 7   16 40 o 128.1877 13.88329 505.0955       102.7092 514.0012       106.1271 373.4742       407.9948 129.1705 14.24548 102.9194 42.24009 26.25110       44.57756 
1 1 1 7   16 41 o 69.85464 27.01623 136.8570       157.3493 53.06118       171.6650 577.3361       393.5803 62.67922 26.66955 115.0794 43.14695 -52.40013      50.72400 
1 1 1 7   16 42 f 140.7918 13.25052 610.2520       108.1246 630.2587       112.1476 346.3109       407.3391 142.9521 13.53802 97.37679 41.24318 45.57526       43.40827 
1 1 1 7   16 43 o 58.03514 22.45354 88.31720       108.7193 94.18710       112.6807 9.208642       413.6621 59.31660 22.88311 79.64781 36.96722 -20.33121      43.47657 
1 1 1 7   16 44 o 35.55984 17.11934 -135.4659      105.4571 -109.7150      109.2133 -490.6248      405.5934 38.03057 18.06420 62.69737 30.90408 -24.66680      35.79634 
1 1 1 7   16 45 o 59.79553 23.31626 98.07346       117.9444 92.92708       123.5153 151.2956       397.2059 59.69389 23.68161 82.53004 37.52792 -22.83615      44.37525 
1 1 1 7   16 46 o 115.1261 18.77555 439.5349       122.4051 470.3134       127.6881 90.50036       429.9919 119.0544 18.91980 80.14246 37.36293 38.91194       41.88015 
1 1 1 7   16 47 o 121.5132 19.02617 491.6468       131.1434 519.0390       136.4889 162.3438       473.2398 124.7094 19.28307 83.66832 39.06960 41.04107       43.56915 
1 1 1 7   17 0  o 269.0752 7.658494 2126.223       120.7329 1598.329       298.3040 2229.636       132.0299 231.7709 22.21744 275.5183 8.179987 -43.74739      23.67544 
1 1 1 7   17 1  o 82.57355 33.77594 73.14252       259.7635 73.14252       259.7635 0.000000       0.000000 82.57355 33.77594 ?        ?        0.000000       33.77594 
1 1 1 7   17 2  o 525.1437 9.211005 8094.693       283.6846 7751.028       477.8867 8281.693       352.5156 513.1365 15.89885 531.0429 11.31874 -17.90643      19.51634 
1 1 1 7   17 3  o 324.5998 7.383708 3091.664       140.5638 3117.272       311.9387 3085.140       157.4557 325.1258 16.41248 324.1247 8.289961 1.001129       18.38731 
1 1 1 7   17 4  o 581.3363 9.658644 9920.959       329.3018 9936.307       568.6329 9913.215       403.9282 580.9115 16.70794 580.9474 11.85542 -0.3588867E-01 20.48673 
1 1 1 7   17 5  o 522.4659 9.144941 8012.606       280.2137 7216.872       442.9924 8543.353       361.7894 495.1654 15.27267 539.3390 11.43783 -44.17358      19.08084 
1 1 1 7   17 6  f 256.5617 9.908724 1935.420       148.8137 1867.306       265.6190 1966.581       179.6569 251.1889 18.15298 258.4708 11.88353 -7.281891      21.69675 
1 1 1 7   17 7  o 454.9269 11.68196 6083.359       311.4213 6576.159       438.2780 5580.825       442.5860 472.5432 15.83696 435.0734 17.38039 37.46979       23.51355 
1 1 1 7   17 8  o 492.5929 9.508801 7123.850       274.7036 7107.664       432.6093 7134.786       355.5950 491.3669 15.02970 492.7729 12.30434 -1.406036      19.42392 
1 1 1 7   17 9  o 787.2587 14.34675 18225.61       662.4019 16742.53       820.5782 20999.76       1122.285 753.8325 18.56071 842.9625 22.72168 -89.13000      29.33897 
1 1 1 7   17 10 f 197.5525 16.58955 1157.035       190.4325 977.4806       239.4120 1466.314       314.2129 180.4262 23.15876 221.3051 24.62589 -40.87889      33.80477 
1 1 1 7   17 11 o 730.1728 13.49007 15679.50       577.6842 14574.52       725.1376 17599.02       955.7428 703.2628 17.58135 771.6693 21.13823 -68.40643      27.49416 
1 1 1 7   17 12 o 314.1505 10.94167 2903.537       201.2836 2587.639       237.0574 3719.717       381.0424 296.2611 13.68051 354.6454 18.38287 -58.38434      22.91476 
1 1 1 7   17 13 o 80.27186 28.65534 164.8851       170.3739 -1.753111      205.4673 531.6185       304.8110 68.11063 29.08501 131.2603 37.64427 -63.14967      47.57130 
1 1 1 7   17 14 o 412.3730 10.27472 4997.583       248.4911 4921.496       318.4561 5116.027       397.3277 408.7032 13.30363 416.2205 16.30858 -7.517303      21.04653 
1 1 1 7   17 15 o 275.6337 10.92215 2237.423       176.2099 2220.367       219.2064 2268.570       296.2370 274.2466 13.67203 276.4766 18.37392 -2.229950      22.90252 
1 1 1 7   17 16 o 257.7865 10.68412 1957.674       161.1785 1877.463       193.7137 2138.140       290.5643 252.1395 13.14533 268.2233 18.58615 -16.08379      22.76499 
1 1 1 7   17 17 o 332.2607 9.718151 3248.681       189.1674 3241.153       237.1328 3261.857       313.7011 331.5376 12.21664 331.9093 16.16420 -0.3716736     20.26148 
1 1 1 7   17 18 o 209.5379 11.78873 1297.154       144.2863 1356.459       170.7733 1149.204       269.7318 214.0191 13.67716 194.7903 24.12631 19.22876       27.73343 
1 1 1 7   17 19 o 345.0017 7.931157 3497.894       160.4754 3373.085       181.4900 3945.152       343.5651 338.5469 9.149168 364.8173 16.09732 -26.27042      18.51570 
1 1 1 7   17 20 o 394.9020 9.775494 4589.353       226.4011 4683.143       296.5487 4458.302       350.5406 398.2271 12.71369 387.8917 15.43995 10.33536       20.00075 
1 1 1 7   17 21 o 156.8775 11.00336 728.7169       100.5943 665.8945       108.7555 1100.796       264.6742 149.7093 12.50059 190.0671 24.29902 -40.35774      27.32594 
1 1 1 7   17 22 o 131.7057 8.942180 512.7835       68.66184 522.4857       71.06306 376.4529       266.3835 132.9240 9.171933 111.0350 35.89049 21.88896       37.04391 
1 1 1 7   17 23 o 458.5367 7.404772 6181.183       199.1298 6213.680       224.3324 6060.441       432.4133 459.5871 8.322878 451.5361 16.35589 8.050995       18.35171 
1 1 1 7   17 24 o 185.9206 8.013254 1018.614       87.16982 1028.115       90.79549 906.7271       311.5793 186.7529 8.310664 169.0917 32.60099 17.66115       33.64360 
1 1 1 7   17 25 o 169.4502 12.04477 852.0457       118.9189 888.2933       128.1707 627.8119       318.7861 172.9178 12.72777 139.1782 37.99676 33.73953       40.07181 
1 1 1 7   17 26 o 435.4825 8.539575 5580.408       218.1009 5521.848       245.9009 5796.356       472.2107 432.9777 9.683761 440.7359 18.30854 -7.758179      20.71178 
1 1 1 7   17 27 o 294.9030 9.849549 2564.758       170.1125 2670.765       190.8757 2155.478       375.0537 300.7643 10.83888 266.4209 24.26966 34.34341       26.58002 
1 1 1 7   17 28 o 38.45739 18.70637 -232.4961      134.4014 -235.5367      145.1554 -214.2263      355.8090 40.66825 19.70188 76.12527 34.95571 -35.45702      40.12563 
1 1 1 7   17 29 o 136.7628 18.21629 567.5213       142.4793 658.6089       154.7477 60.43164       365.1211 147.4791 18.28259 91.68579 38.94894 55.79335       43.02642 
1 1 1 7   17 30 o 270.7262 8.097248 2159.481       128.4192 2149.797       135.5611 2244.191       400.9337 270.0408 8.570484 270.3796 25.58861 -0.3387756     26.98574 
1 1 1 7   17 31 o 193.4257 9.432793 1106.283       106.6825 1120.302       111.1483 942.2665       380.1808 194.5917 9.770563 167.7810 39.32574 26.81076       40.52132 
1 1 1 7   17 32 o 148.3853 10.89277 654.7505       94.13319 644.9969       97.29677 797.4627       372.1741 147.1805 11.35976 152.9286 40.75902 -5.748077      42.31243 
1 1 1 7   17 33 o 274.7110 8.596135 2228.216       138.3232 2353.311       146.5201 1203.104       419.4338 282.2640 8.861957 188.6570 39.19087 93.60709       40.18033 
1 1 1 7   17 34 o 303.8049 8.522094 2726.177       151.6919 2672.466       160.5283 3174.150       463.6031 300.6387 9.115027 319.4328 24.94430 -18.79410      26.55752 
1 1 1 7   17 35 o 44.86109 19.52617 -10.82259      96.10618 -34.11982      98.97101 374.2141       402.3526 43.09245 19.23548 111.8174 43.21305 -68.72498      47.30086 
1 1 1 7   17 36 o 133.6579 16.92887 550.2402       129.7285 557.8107       138.4319 495.6506       371.7324 134.1598 18.05160 118.4377 42.32187 15.72207       46.01087 
1 1 1 7   17 37 o 55.89167 23.91126 16.99843       139.3333 18.44880       150.1245 7.984130       374.2645 57.83204 24.78237 83.30511 37.27994 -25.47307      44.76561 
1 1 1 7   17 38 o 132.8088 12.87498 536.3054       99.02571 553.9077       102.4266 284.3623       387.5067 134.9015 13.11149 98.68719 40.89943 36.21432       42.94967 
1 1 1 7   17 39 o 52.47667 23.46118 -31.36744      147.8444 -3.680842      157.9505 -227.1907      420.0667 56.45693 24.79153 75.39813 35.70038 -18.94120      43.46420 
1 1 1 7   17 40 o 68.94643 22.05742 153.8474       100.7926 182.0668       103.8227 -308.5439      420.2653 74.19234 22.16524 71.75227 34.44804 2.440071       40.96298 
1 1 1 7   17 41 o 145.4064 13.16136 649.4852       111.0225 625.8797       115.3080 949.4686       411.0564 142.3019 13.99748 144.7922 44.28765 -2.490341      46.44702 
1 1 1 7   17 42 o 63.49936 26.07252 87.64542       155.5282 -4.675159      168.6907 610.9315       401.6164 56.83818 25.25790 114.4143 43.43268 -57.57608      50.24300 
1 1 1 7   17 43 f 41.16905 19.04654 -65.04478      108.4913 -91.57517      112.2875 307.5418       420.7977 40.01390 18.79571 92.82041 40.62031 -52.80651      44.75811 
1 1 1 7   17 44 o 57.11395 22.78641 79.63139       114.9821 112.3374       119.7242 -308.8711      412.6342 62.02407 23.67350 67.46519 32.80736 -5.441124      40.45686 
1 1 1 7   17 45 o 48.14684 21.05657 6.424058       112.9137 18.59671       118.0465 -124.4890      387.1257 50.26837 21.76149 70.69858 33.70223 -20.43021      40.11736 
1 1 1 7   17 46 o 157.1169 15.09107 782.8379       137.3492 775.3397       144.3049 855.0402       447.7963 155.6126 16.04156 120.9011 45.86955 34.71151       48.59370 
1 1 1 7   17 47 o 43.66749 20.26337 -66.35573      124.1923 -57.29212      129.3800 -172.6266      443.0202 45.28588 20.89730 71.23978 34.49015 -25.95390      40.32701 
1 1 1 7   18 0  o 290.4360 17.57060 2492.061       297.8869 2492.061       297.8869 0.000000       0.000000 290.4360 17.57060 ?        ?        0.000000       17.57060 
1 1 1 7   18 1  o 468.9424 15.52474 6475.005       426.3785 6475.005       426.3785 0.000000       0.000000 468.9424 15.52474 ?        ?        0.000000       15.52474 
1 1 1 7   18 2  o 467.2630 8.398161 6408.112       230.1421 5823.674       385.4954 6731.770       286.8749 444.7852 14.79869 478.8155 10.21583 -34.03027      17.98234 
1 1 1 7   18 3  o 377.1839 8.806015 4175.971       194.7973 0.000000       0.000000 4175.971       194.7973 ?        ?        377.1839 8.806015 0.000000       8.806015 
1 1 1 7   18 4  o 707.0214 11.08716 14681.84       459.7303 13482.02       685.5016 15662.59       619.7701 676.5240 17.29143 729.8428 14.47941 -53.31879      22.55320 
1 1 1 7   18 5  o 465.9407 8.488251 6372.317       231.9527 5824.992       375.0191 6711.426       295.1887 444.8520 14.39327 478.0547 10.52862 -33.20270      17.83306 
1 1 1 7   18 6  o 649.4274 10.51631 12386.15       400.5387 11306.28       592.3231 13295.97       543.6909 619.6041 16.31443 672.4929 13.78522 -52.88873      21.35868 
1 1 1 7   18 7  f 331.1208 7.315686 3217.532       142.0666 3025.984       276.5165 3286.226       165.5930 320.4044 14.75501 334.4882 8.448085 -14.08371      17.00237 
1 1 1 7   18 8  o 114.6289 16.69343 394.9333       108.9308 202.0661       215.3734 461.2300       126.2724 89.53474 32.18781 123.8594 17.90189 -34.32468      36.83114 
1 1 1 7   18 9  o 352.7148 11.30839 3659.333       233.6218 3747.840       303.2159 3530.034       366.4864 356.6068 14.52854 345.5789 18.14616 11.02792       23.24568 
1 1 1 7   18 10 o 361.8905 10.93973 3851.837       231.9185 3647.706       285.3725 4248.904       398.0062 351.8407 13.85688 379.1784 17.94859 -27.33765      22.67521 
1 1 1 7   18 11 o 530.6300 11.30018 8276.397       351.6639 8014.570       450.3121 8685.678       563.0101 521.5280 14.73741 542.3642 17.72386 -20.83618      23.05052 
1 1 1 7   18 12 f 360.2261 18.09658 3839.788       381.0912 0.000000       0.000000 3839.788       381.0912 ?        ?        360.2261 18.09658 0.000000       18.09658 
1 1 1 7   18 13 o 281.7191 11.14024 2337.266       183.6980 2283.532       227.6378 2437.590       311.0436 278.1112 14.00151 286.6399 18.60314 -8.528748      23.28345 
1 1 1 7   18 14 o 100.1575 24.13095 310.0372       140.0582 380.8535       167.8434 147.6600       254.1559 110.8790 26.22487 87.74239 34.22325 23.13660       43.11583 
1 1 1 7   18 15 o 267.7158 10.52446 2111.068       164.9214 2035.002       199.4917 2275.297       293.1256 262.5313 12.99707 276.7704 18.15889 -14.23901      22.33090 
1 1 1 7   18 16 o 100.7298 23.37701 314.1049       135.4318 346.5328       161.9438 238.6629       247.0083 105.6096 26.25789 95.73386 34.46392 9.875732       43.32711 
1 1 1 7   18 17 o 562.4678 11.11627 9313.967       366.6969 9114.369       483.0816 9585.341       563.2834 555.3558 14.84528 568.8875 16.90176 -13.53162      22.49559 
1 1 1 7   18 18 f 692.9322 12.71711 14159.76       516.8086 13698.15       684.9780 14769.81       787.4431 679.7490 17.19596 704.9822 19.06291 -25.23328      25.67286 
1 1 1 7   18 19 o 189.7747 13.21718 1068.081       146.1857 953.6267       171.8545 1367.691       278.0497 178.6649 16.59056 212.7921 22.62657 -34.12723      28.05724 
1 1 1 7   18 20 o 527.6531 9.283471 8192.852       287.2827 8336.435       355.9190 7924.427       486.6425 531.7828 11.41212 516.8983 16.07247 14.88452       19.71194 
1 1 1 7   18 21 o 164.0204 9.653857 794.8429       92.45380 819.2959       99.87044 648.3083       244.4787 166.4505 10.28078 143.4055 30.03268 23.04501       31.74360 
1 1 1 7   18 22 o 209.2187 8.991429 1290.736       110.0690 1341.946       120.6547 1036.714       268.7219 213.2444 9.672709 183.6460 25.64867 29.59840       27.41196 
1 1 1 7   18 23 o 235.7138 7.417049 1635.173       102.4061 1667.399       109.5763 1412.829       287.8236 237.9746 7.861983 215.6094 23.12267 22.36517       24.42270 
1 1 1 7   18 24 o 264.6417 8.796912 2063.638       136.3437 2177.747       151.8372 1588.550       309.8178 271.7538 9.541715 228.6333 23.43694 43.12048       25.30483 
1 1 1 7   18 25 o 39.22935 18.69522 -152.2570      118.9415 -136.8458      126.2048 -274.7020      355.7364 41.92358 19.76508 73.53221 34.18087 -31.60863      39.48405 
1 1 1 7   18 26 o 123.8400 19.81532 468.8315       139.0673 540.7504       149.7775 19.22734       374.4899 133.2063 19.77115 90.65076 38.99821 42.55559       43.72367 
1 1 1 7   18 27 o 398.4598 9.035710 4674.348       211.1530 4728.352       237.2789 4468.826       462.8849 400.4285 10.11186 385.9101 20.52586 14.51846       22.88145 
1 1 1 7   18 28 o 295.9447 7.912323 2578.537       137.2067 2591.385       145.6746 2477.559       408.3843 296.6095 8.382702 285.1949 24.65811 11.41458       26.04404 
1 1 1 7   18 29 o 240.5848 8.195992 1705.845       115.4744 1694.687       120.6559 1827.450       398.3190 239.7358 8.595448 242.5582 28.54637 -2.822388      29.81236 
1 1 1 7   18 30 o 230.5025 8.824045 1568.171       119.0669 1598.242       124.5085 1246.527       407.2022 232.6501 9.143064 195.2072 36.92043 37.44284       38.03569 
1 1 1 7   18 31 o 90.02957 17.72258 251.0293       90.24281 267.8394       92.91106 -29.09612      379.2779 93.07918 17.66621 86.75613 38.24484 6.323044       42.12793 
1 1 1 7   18 32 o 282.6527 8.222863 2357.130       136.1648 2368.855       143.7344 2254.527       425.1966 283.2608 8.662320 268.3510 27.40108 14.90976       28.73769 
1 1 1 7   18 33 o 127.4512 13.12184 488.1759       96.68202 420.4479       99.99252 1460.516       378.8721 117.7767 14.80247 212.7828 31.29423 -95.00613      34.61852 
1 1 1 7   18 34 o 98.46910 17.77352 301.2262       98.86572 291.2193       101.7918 467.8181       415.3264 96.53484 18.65465 120.0404 44.45610 -23.50556      48.21141 
1 1 1 7   18 35 o 258.7612 8.370321 1981.334       126.8586 1980.686       133.1830 1987.673       416.6194 258.5978 8.794393 247.1867 29.30815 11.41107       30.59917 
1 1 1 7   18 36 o 110.0399 23.03471 393.0505       143.8793 444.7957       154.4382 52.98119       395.9164 117.1098 23.30589 88.10219 38.94606 29.00762       45.38678 
1 1 1 7   18 37 o 153.8859 11.66359 713.5187       104.4806 729.4066       107.9896 480.8951       413.2138 155.5029 11.93229 113.7650 43.83837 41.73788       45.43327 
1 1 1 7   18 38 o 59.73757 24.77910 54.87094       142.4126 80.28483       154.6384 -87.05443      365.4364 64.11692 26.12306 76.34605 35.19082 -12.22913      43.82703 
1 1 1 7   18 39 o 95.90891 18.47854 295.7788       100.1693 305.7511       103.2937 138.3734       410.3785 97.42940 18.75787 89.36464 39.57043 8.064758       43.79128 
1 1 1 7   18 40 o 142.4848 19.05723 651.6086       155.2603 738.2557       167.7396 133.4279       410.2036 151.6131 19.30162 87.32911 39.05854 64.28399       43.56744 
1 1 1 7   18 41 o 148.8107 12.92293 679.7607       111.6664 693.3195       116.2651 518.4625       401.0085 150.0758 13.34870 108.5811 42.79763 41.49463       44.83107 
1 1 1 7   18 42 o 44.06959 19.91318 -34.86267      109.7236 -24.38328      114.0484 -165.2276      402.2551 45.89170 20.55502 72.49757 34.50196 -26.60587      40.16085 
1 1 1 7   18 43 o 165.5289 13.80210 851.3491       132.7708 886.6402       140.9786 574.4681       394.8816 168.5306 14.40130 108.7382 42.58670 59.79234       44.95581 
1 1 1 7   18 44 o 39.93728 18.95566 -113.4797      119.8158 -141.8400      124.8790 215.1345       425.0864 39.27629 18.83579 86.39166 39.10045 -47.11537      43.40083 
1 1 1 7   18 45 o 75.73495 24.14525 203.9857       120.8582 249.0871       126.1068 -304.2486      423.3266 83.11045 24.32636 67.33870 32.85336 15.77175       40.87928 
1 1 1 7   18 46 o 95.23553 23.22207 322.9793       128.5170 357.4798       133.0085 -162.1299      498.7541 100.4574 23.06403 74.86403 36.32741 25.59341       43.03057 
1 1 1 7   19 0  o 333.8970 15.27626 3286.604       298.3513 3286.604       298.3513 0.000000       0.000000 333.8970 15.27626 ?        ?        0.000000       15.27626 
1 1 1 7   19 1  o 565.0811 11.43857 9380.633       379.0819 0.000000       0.000000 9380.633       379.0819 ?        ?        565.0811 11.43857 0.000000       11.43857 
1 1 1 7   19 2  o 356.2159 15.15461 3739.579       315.8750 3739.579       315.8750 0.000000       0.000000 356.2159 15.15461 ?        ?        0.000000       15.15461 
1 1 1 7   19 3  o 550.2233 9.314116 8888.694       300.5599 7831.743       450.1604 9738.864       403.7317 515.7631 14.89779 575.7042 11.95757 -59.94110      19.10308 
1 1 1 7   19 4  o 535.0678 9.119739 8405.616       286.1816 7642.697       444.9718 8943.800       373.7302 509.4717 14.90834 551.7277 11.55002 -42.25604      18.85899 
1 1 1 7   19 5  f 426.1275 7.967727 5329.911       199.1244 4667.108       318.2329 5756.392       255.2719 398.1486 13.64872 442.7363 9.831218 -44.58765      16.82083 
1 1 1 7   19 6  o 227.1431 7.372975 1515.835       98.08825 1497.538       235.0861 1519.691       107.9323 224.6978 17.98945 227.3867 8.106455 -2.688965      19.73157 
1 1 1 7   19 7  o 181.0217 7.791347 963.6652       82.52313 696.9973       218.8665 1007.859       89.09921 151.3324 25.57027 185.1039 8.228004 -33.77151      26.86148 
1 1 1 7   19 8  o 408.8137 8.879615 4907.750       212.8972 4577.758       315.4201 5183.889       288.5371 394.2174 13.66344 419.7749 11.73169 -25.55746      18.00895 
1 1 1 7   19 9  o 343.8112 11.18119 3478.126       225.1546 3323.367       278.0360 3772.963       383.7637 335.7178 14.15310 357.0919 18.38646 -21.37415      23.20285 
1 1 1 7   19 10 o 208.4791 14.50443 1286.043       176.2369 1397.235       217.5399 1073.703       300.6215 216.9630 17.23793 187.8824 28.14801 29.08054       33.00692 
1 1 1 7   19 11 o 357.5544 18.36885 3786.081       383.8985 0.000000       0.000000 3786.081       383.8985 ?        ?        357.5544 18.36885 0.000000       18.36885 
1 1 1 7   19 12 o 340.0165 10.47184 3402.040       208.5718 3325.350       261.4716 3536.209       345.8472 335.7973 13.30323 345.6685 17.11300 -9.871216      21.67558 
1 1 1 7   19 13 o 321.5701 10.74160 3044.551       202.2951 2884.321       243.7180 3399.468       362.7263 312.6412 13.32256 338.5555 18.33675 -25.91434      22.66555 
1 1 1 7   19 14 o 366.9001 10.06503 3961.501       216.3730 3730.734       261.3442 4464.392       385.8008 355.6917 12.54785 388.2712 16.98358 -32.57956      21.11613 
1 1 1 7   19 15 o 218.9185 12.10521 1415.851       154.8143 1364.936       182.4661 1546.694       292.5070 214.5706 14.58651 226.9246 22.26512 -12.35400      26.61770 
1 1 1 7   19 16 o 199.8665 12.98629 1182.810       151.3972 1270.891       187.0422 1015.457       257.8207 206.7881 15.53642 182.7040 24.69285 24.08418       29.17391 
1 1 1 7   19 17 o 198.7151 12.79223 1169.436       148.2910 1153.800       174.5134 1210.056       281.2787 196.9728 15.22488 199.6009 24.54455 -2.628098      28.88308 
1 1 1 7   19 18 o 425.6648 9.944492 5333.363       248.2567 5366.334       324.9463 5287.137       384.7601 426.2102 13.01507 422.3837 15.55877 3.826477       20.28465 
1 1 1 7   19 19 o 340.0461 10.14755 3408.106       202.1451 3628.993       257.8185 3055.634       325.6806 350.4324 12.56501 320.3618 17.39938 30.07065       21.46201 
1 1 1 7   19 20 o 51.20839 22.76812 -46.67828      137.2556 49.11369       157.5652 -348.0703      279.4869 64.23768 26.29417 59.87917 28.56997 4.358513       38.82817 
1 1 1 7   19 21 o 191.0727 13.44322 1084.765       149.6828 1097.223       180.1053 1056.943       269.1432 191.6166 16.17765 185.5291 25.40181 6.087463       30.11592 
1 1 1 7   19 22 o 105.1730 15.72968 335.1775       94.04750 329.8768       98.96781 384.5449       302.0293 104.0985 16.78105 113.1234 38.28165 -9.024971      41.79819 
1 1 1 7   19 23 f 161.3479 11.49976 772.1075       108.1051 791.3391       115.0243 626.5287       316.4687 163.2576 12.09939 139.0221 37.81899 24.23546       39.70732 
1 1 1 7   19 24 o 170.1569 9.836769 855.7758       97.74561 899.7349       102.8066 441.9859       315.4181 174.4511 10.09147 119.5061 39.08542 54.94498       40.36716 
1 1 1 7   19 25 o 478.1311 9.027438 6729.706       253.1407 6867.149       295.4762 6350.500       490.7924 482.6748 10.43800 461.4114 18.17227 21.26343       20.95670 
1 1 1 7   19 26 o 290.3024 8.192886 2481.319       139.3489 2481.367       147.2204 2480.903       431.9445 290.2367 8.658669 285.0904 26.12431 5.146240       27.52184 
1 1 1 7   19 27 o 276.6966 10.13834 2259.983       164.2428 2304.478       179.0791 2024.340       412.1143 279.2570 10.95554 256.3225 27.86227 22.93448       29.93877 
1 1 1 7   19 28 o 122.1110 13.02740 446.3204       91.85683 454.7907       94.96147 323.0974       362.1957 123.2141 13.35450 110.1458 41.37124 13.06835       43.47323 
1 1 1 7   19 29 o 194.6410 9.643930 1120.119       109.7449 1141.477       113.9286 845.2298       408.7256 196.4458 9.920819 157.9977 42.97874 38.44804       44.10889 
1 1 1 7   19 30 o 161.7145 10.86711 776.6652       102.4672 765.2244       106.5852 916.2001       372.2303 160.4112 11.40388 165.1914 39.04310 -4.780167      40.67447 
1 1 1 7   19 31 o 104.2247 16.45376 332.5386       97.24090 297.1069       100.3679 874.7415       392.6262 97.97198 18.13573 159.5046 41.56009 -61.53265      45.34475 
1 1 1 7   19 32 o 38.65819 17.69594 -58.58029      90.22977 -66.72068      92.48080 102.5583       411.4610 38.52638 17.73833 96.41270 41.16440 -57.88633      44.82362 
1 1 1 7   19 33 o 267.9952 8.586882 2122.688       134.7883 2062.387       141.3652 2725.875       447.1043 264.0188 9.143510 294.7093 26.13892 -30.69049      27.69200 
1 1 1 7   19 34 o 167.8386 10.78680 839.6769       105.6160 820.1960       109.5766 1094.642       396.4189 165.7304 11.34203 176.5870 39.29080 -10.85664      40.89509 
1 1 1 7   19 35 o 224.3064 8.810007 1492.635       115.6706 1517.943       120.5068 1196.186       412.4409 226.1138 9.105906 181.6636 39.81337 44.45026       40.84142 
1 1 1 7   19 36 o 136.8255 12.87322 567.5932       102.0873 553.6569       106.0813 742.2812       375.5754 134.8681 13.59698 137.8546 42.36458 -2.986572      44.49310 
1 1 1 7   19 37 o 209.8107 9.339779 1312.879       114.6370 1294.483       119.0680 1546.334       424.1648 208.1644 9.780341 205.8478 36.46964 2.316650       37.75830 
1 1 1 7   19 38 o 56.86573 24.57401 15.78931       150.0012 51.17129       160.5377 -227.5210      420.9846 61.74851 26.00891 75.34192 35.69311 -13.59341      44.16403 
1 1 1 7   19 39 o 32.62488 16.38465 -380.5365      138.1469 -358.5179      147.3089 -541.2114      397.9305 35.07315 17.51121 63.15545 31.02760 -28.08231      35.62801 
1 1 1 7   19 40 o 161.4597 12.44465 796.3066       116.9325 773.1829       122.0864 1052.966       406.7407 158.6704 13.24018 154.7913 43.17910 3.879074       45.16345 
1 1 1 7   19 41 o 99.72815 18.86226 325.5503       106.2818 347.3969       110.1308 29.29298       405.5570 103.0676 18.91638 80.48735 37.08983 22.58020       41.63514 
1 1 1 7   19 42 o 49.82404 21.34575 21.37449       111.3271 33.61276       115.6209 -134.2774      412.3383 51.90151 21.97739 73.62366 35.00767 -21.72215      41.33452 
1 1 1 7   19 43 o 119.5053 18.17409 466.5157       123.3689 490.7493       128.7464 194.4647       431.3711 122.3906 18.51435 86.04523 39.11939 36.34537       43.27942 
1 1 1 7   19 44 o 80.60650 24.61609 232.9812       127.0566 285.2426       132.9980 -313.0597      429.8997 88.95868 24.64453 68.00677 33.16349 20.95191       41.31791 
1 1 1 7   19 45 o 42.60229 20.03867 -95.09791      128.3887 -108.2181      134.5475 38.45221       429.2678 42.93092 20.29077 77.80555 36.61082 -34.87463      41.85770 
1 1 1 7   19 46 o 126.2394 18.78121 529.9276       134.8206 544.5159       141.4564 385.2893       445.4125 127.3797 19.55951 91.69650 40.87709 35.68320       45.31569 
1 1 1 7   20 0  f 351.6404 15.27471 3646.621       314.2572 3646.621       314.2572 0.000000       0.000000 351.6404 15.27471 ?        ?        0.000000       15.27471 
1 1 1 7   20 1  o 887.3660 13.66710 23161.57       711.2622 21345.59       1025.283 24846.28       987.5319 850.2137 20.56200 917.9377 18.34372 -67.72406      27.55518 
1 1 1 7   20 2  o 290.5832 15.50483 2493.042       263.2770 2493.042       263.2770 0.000000       0.000000 290.5832 15.50483 ?        ?        0.000000       15.50483 
1 1 1 7   20 3  o 566.0887 9.454962 9411.424       313.9025 9106.680       511.9987 9594.960       397.3393 555.8782 15.72082 571.3312 11.85832 -15.45294      19.69172 
1 1 1 7   20 4  o 317.0169 9.925467 2955.039       184.3098 2686.850       262.3512 3216.396       258.9883 301.7489 14.87054 330.3962 13.39355 -28.64737      20.01299 
1 1 1 7   20 5  o 470.4605 8.316817 6498.562       229.4726 5856.151       366.1081 6914.253       294.5019 445.8647 14.01831 485.1055 10.35145 -39.24078      17.42601 
1 1 1 7   20 6  o 632.9033 10.26235 11769.70       380.9207 10804.60       563.6614 12580.98       516.7915 605.3481 15.89053 653.8787 13.47621 -48.53052      20.83548 
1 1 1 7   20 7  o 426.7495 10.89506 5356.402       272.4569 5441.042       354.6731 5234.542       425.5676 429.6778 14.09363 420.9046 17.27661 8.773224       22.29600 
1 1 1 7   20 8  o 398.3725 8.843431 4661.334       206.6144 4656.431       328.1286 4664.555       265.9615 397.4151 14.10061 398.1326 11.40218 -0.7175598     18.13386 
1 1 1 7   20 9  o 425.4403 9.051758 5317.234       225.8511 5517.276       362.6738 5190.515       288.6534 432.5476 14.31629 419.9193 11.73238 12.62827       18.50959 
1 1 1 7   20 10 o 307.9663 19.05937 2815.373       342.5540 0.000000       0.000000 2815.373       342.5540 ?        ?        307.9663 19.05937 0.000000       19.05937 
1 1 1 7   20 11 o 411.0034 10.31916 4969.941       248.5403 5099.997       330.2763 4800.129       377.3959 415.8527 13.56027 402.9763 16.00042 12.87640       20.97366 
1 1 1 7   20 12 o 225.7788 12.98342 1506.581       171.1936 1465.101       206.6068 1597.443       305.7869 222.1915 15.96136 230.6701 22.90586 -8.478607      27.91851 
1 1 1 7   20 13 o 182.9278 14.15635 992.8397       150.6923 1085.001       178.0804 760.4191       282.7991 190.9741 16.04810 156.0410 31.97770 34.93312       35.77870 
1 1 1 7   20 14 o 313.1809 10.04005 2888.347       184.1705 2975.265       225.4782 2714.122       319.2299 317.5575 12.12916 302.1293 18.09904 15.42813       21.78743 
1 1 1 7   20 15 o 234.4805 11.50338 1623.445       157.7085 1652.240       184.4335 1545.120       304.1817 236.2735 13.36437 226.3272 23.24647 9.946243       26.81426 
1 1 1 7   20 16 o 307.1042 10.19819 2779.227       183.4242 2771.302       221.3257 2796.606       327.7683 306.3171 12.34527 306.4053 18.32351 -0.8816528E-01 22.09427 
1 1 1 7   20 17 o 489.9778 10.65506 7071.443       306.1843 7157.861       407.2702 6959.108       464.3411 491.9359 14.13103 484.3407 16.37043 7.595123       21.62584 
1 1 1 7   20 18 o 349.0999 10.09636 3592.004       206.4944 3698.941       259.1534 3406.048       341.7434 353.7836 12.50987 338.2678 17.28347 15.51584       21.33578 
1 1 1 7   20 19 o 150.0536 16.42059 675.9361       142.1492 734.2983       163.9391 499.1215       285.3486 156.0618 18.25622 125.2265 36.57586 30.83537       40.87888 
1 1 1 7   20 20 o 365.8023 10.12456 3945.681       216.9978 3905.283       276.3108 4010.694       350.5248 363.2750 12.99007 367.1947 16.31766 -3.919708      20.85685 
1 1 1 7   20 21 o 183.5564 14.97734 1005.127       159.8330 1030.899       186.2469 933.1019       311.3512 185.3837 17.33126 171.7433 32.09121 13.64038       36.47216 
1 1 1 7   20 22 o 297.0662 11.33284 2607.672       197.0812 2705.233       239.1117 2400.979       348.0362 302.0945 13.53041 282.3378 21.17287 19.75677       25.12693 
1 1 1 7   20 23 o 224.0858 9.952238 1482.384       130.4670 1477.896       140.5185 1510.431       351.2745 223.6219 10.74587 221.3915 27.65576 2.230469       29.67010 
1 1 1 7   20 24 o 178.7948 18.98277 963.6207       196.0130 1188.651       228.9515 345.9546       379.3152 198.5198 19.93428 113.9851 42.43371 84.53474       46.88278 
1 1 1 7   20 25 o 305.5915 9.716245 2753.778       173.9154 2876.936       194.5909 2264.860       387.7122 312.1846 10.64379 272.9589 24.47896 39.22574       26.69288 
1 1 1 7   20 26 o 160.8680 15.90783 775.8988       148.1200 741.0775       158.7511 1010.074       411.6841 156.8019 17.56444 175.1317 40.83674 -18.32977      44.45390 
1 1 1 7   20 27 o 133.8367 18.18422 544.1926       139.0432 583.4293       148.5795 267.6339       394.4627 138.5052 18.77415 108.1599 42.50314 30.34525       46.46488 
1 1 1 7   20 28 o 308.9640 9.347351 2816.828       169.1793 2883.066       185.9621 2498.745       407.5104 312.4016 10.16340 285.7113 24.55787 26.69034       26.57788 
1 1 1 7   20 29 o 79.83925 25.57752 192.9330       135.4953 235.5588       143.5443 -155.4963      410.3995 86.91527 26.08521 84.07294 38.19678 2.842323       46.25400 
1 1 1 7   20 30 o 223.6859 9.130700 1478.894       119.5307 1489.740       124.8158 1358.897       415.1646 224.4323 9.504248 203.2287 36.15784 21.20361       37.38609 
1 1 1 7   20 31 o 174.0838 10.64924 900.1035       108.2043 920.8444       112.3233 632.7694       403.2589 176.0251 10.93439 135.7674 44.18018 40.25772       45.51318 
1 1 1 7   20 32 o 199.0041 10.09446 1174.876       117.4288 1142.251       123.1751 1500.266       389.0020 196.0615 10.75341 214.9344 31.81998 -18.87288      33.58790 
1 1 1 7   20 33 o 216.9446 9.711003 1396.213       123.2427 1430.454       128.8020 1025.045       424.0694 219.5094 10.03156 168.7377 42.79565 50.77170       43.95565 
1 1 1 7   20 34 o 150.5872 11.81461 680.3323       103.5068 692.3451       107.2491 517.1517       395.2807 151.8220 12.14627 120.6903 43.57799 31.13170       45.23907 
1 1 1 7   20 35 o 326.1693 7.936433 3148.596       151.8165 3184.157       163.0089 2915.993       416.9013 327.6830 8.489320 302.3857 23.69749 25.29727       25.17220 
1 1 1 7   20 36 o 240.3539 8.712049 1717.724       122.6035 1716.818       127.8150 1728.166       433.7805 240.1433 9.091719 220.4285 34.70046 19.71480       35.87173 
1 1 1 7   20 37 o 46.84610 20.12872 6.599693       99.53529 57.74954       102.4520 -853.5673      420.1357 53.87013 21.50344 59.27210 29.59008 -5.401966      36.57829 
1 1 1 7   20 38 o 72.27505 22.11707 171.2737       102.5007 212.9504       106.0099 -427.1507      401.7024 80.01174 21.93882 66.82992 32.46894 13.18182       39.18602 
1 1 1 7   20 39 o 142.5316 13.13562 623.6324       108.5682 636.1184       112.8541 468.5487       397.7305 143.7616 13.54479 106.2705 42.38564 37.49116       44.49723 
1 1 1 7   20 40 o 43.12656 19.37635 -29.33818      102.2084 -18.60906      105.8944 -175.4536      390.7861 44.94594 19.99026 72.03474 34.20277 -27.08880      39.61615 
1 1 1 7   20 41 o 48.14958 22.33925 -83.07747      150.8388 -75.61044      162.5521 -129.3590      404.6901 50.60392 23.37702 73.71597 34.94416 -23.11205      42.04258 
1 1 1 7   20 42 o 69.57664 23.20881 163.2964       111.0392 212.0072       115.0092 -505.9573      426.3000 77.98575 23.33595 63.92687 31.54287 14.05888       39.23671 
1 1 1 7   20 43 o 69.77720 24.05183 165.4136       119.3319 190.7982       124.4869 -122.1818      419.0153 73.88832 24.57217 73.08897 34.90281 0.7993469      42.68487 
1 1 1 7   20 44 o 52.31303 22.30104 36.10886       120.4317 30.41433       125.4530 103.0043       429.9821 52.46898 22.57202 80.55865 37.49166 -28.08967      43.76209 
1 1 1 7   20 45 o 182.4641 15.02103 1054.448       159.3190 972.3155       171.5142 1571.170       430.1992 173.3140 17.09632 185.5727 40.65467 -12.25871      44.10313 
1 1 1 7   21 0  o 424.7736 9.667876 5300.736       240.8458 0.000000       0.000000 5300.736       240.8458 ?        ?        424.7736 9.667876 0.000000       9.667876 
1 1 1 7   21 1  f 359.0801 7.629341 3785.339       160.6678 3752.173       309.9873 3797.521       187.8725 356.6250 14.85366 359.5821 8.908706 -2.957123      17.32040 
1 1 1 7   21 2  o 322.0791 8.453111 3048.358       159.5343 0.000000       0.000000 3048.358       159.5343 ?        ?        322.0791 8.453111 0.000000       8.453111 
1 1 1 7   21 3  o 340.9396 7.367549 3412.376       147.3164 3128.556       265.2642 3538.951       177.1456 325.6964 13.91931 347.0201 8.711014 -21.32364      16.42038 
1 1 1 7   21 4  f 199.3803 7.416985 1168.646       86.57697 875.5239       204.6239 1232.562       95.55096 170.7842 20.86206 204.7282 7.973299 -33.94394      22.33381 
1 1 1 7   21 5  o 256.8098 15.70534 1951.393       235.4115 1951.393       235.4115 0.000000       0.000000 256.8098 15.70534 ?        ?        0.000000       15.70534 
1 1 1 7   21 6  o 390.1663 7.661972 4469.831       175.3238 3993.853       297.2444 4723.769       217.1119 368.0111 13.79659 400.9771 9.232377 -32.96603      16.60069 
1 1 1 7   21 7  f 476.4830 10.50303 6674.718       293.5031 0.000000       0.000000 6674.718       293.5031 ?        ?        476.4830 10.50303 0.000000       10.50303 
1 1 1 7   21 8  o 366.0536 10.66590 3943.555       228.7334 3741.751       286.0262 4301.556       380.9632 356.1293 13.72021 381.2642 17.08089 -25.13492      21.90892 
1 1 1 7   21 9  o 389.8802 15.46006 4492.075       352.8020 0.000000       0.000000 4492.075       352.8020 ?        ?        389.8802 15.46006 0.000000       15.46006 
1 1 1 7   21 10 o 447.1193 10.38121 5879.819       272.2212 5783.183       356.0667 6015.758       422.3125 442.7265 13.73000 451.0598 15.98957 -8.333282      21.07556 
1 1 1 7   21 11 o 334.7932 10.59772 3300.997       207.8223 3327.046       257.5282 3252.358       351.9030 335.7325 13.10436 330.9300 18.20170 4.802429       22.42824 
1 1 1 7   21 12 o 260.1880 11.67741 1997.702       177.7364 1999.753       213.8715 1993.123       319.5501 259.9525 14.08097 258.0182 21.30704 1.934235       25.53945 
1 1 1 7   21 13 o 340.4038 10.15359 3412.787       202.4786 3391.288       248.5191 3455.234       349.2059 338.9437 12.52360 341.0558 17.51713 -2.112152      21.53347 
1 1 1 7   21 14 f 257.7243 11.34371 1960.518       171.0393 1891.713       199.1905 2153.645       333.7189 252.8101 13.48333 267.9857 21.41132 -15.17555      25.30306 
1 1 1 7   21 15 o 90.71194 25.19695 254.5843       138.8248 316.5885       156.8344 30.16515       298.3737 100.7373 26.27621 83.01234 35.23466 17.72499       43.95361 
1 1 1 7   21 16 o 203.9974 12.72931 1232.998       151.5341 1134.937       174.3157 1536.328       306.5811 195.2173 15.34873 225.2309 23.55758 -30.01352      28.11659 
1 1 1 7   21 17 o 84.87939 25.52195 219.7982       137.3171 284.4078       162.1834 56.21574       258.0633 95.72578 27.46098 79.53072 33.20207 16.19505       43.08692 
1 1 1 7   21 18 o 76.05887 25.60575 164.9932       135.1263 172.5281       154.4929 140.4642       278.7458 78.89587 27.35856 88.68369 35.44606 -9.787819      44.77626 
1 1 1 7   21 19 o 276.5062 10.66551 2257.361       172.6323 2278.678       210.0921 2213.050       302.9045 277.3643 12.95119 271.7315 19.12931 5.632751       23.10116 
1 1 1 7   21 20 o 183.6204 14.61735 1005.064       156.1144 1094.641       186.1474 792.6801       286.6300 191.2022 16.76983 157.9948 32.03115 33.20740       36.15553 
1 1 1 7   21 21 o 291.2836 11.51745 2507.948       196.3659 2631.733       237.6749 2241.739       348.5476 297.9255 13.63888 272.4698 21.99877 25.45572       25.88368 
1 1 1 7   21 22 o 111.6666 25.97260 391.8981       166.8731 301.4818       191.1491 681.5862       342.1483 98.80733 30.19664 144.6370 39.31390 -45.82964      49.57237 
1 1 1 7   21 23 o 304.8829 12.32139 2749.950       219.8608 2819.890       261.1344 2579.652       407.4789 308.2274 14.48636 291.6862 24.03285 16.54111       28.06123 
1 1 1 7   21 24 o 331.5418 12.28849 3251.415       238.5256 3324.530       283.6189 3074.739       440.8786 334.6938 14.48325 318.6334 23.76381 16.06046       27.82954 
1 1 1 7   21 25 o 270.0876 13.62725 2164.831       215.1581 2128.739       249.0531 2271.019       427.1935 267.2305 15.96392 271.9954 27.14213 -4.764923      31.48876 
1 1 1 7   21 26 o 149.0852 16.79214 669.9866       144.2712 794.7209       157.2701 7.630402       362.4088 162.5359 16.73758 88.05602 38.12476 74.47993       41.63705 
1 1 1 7   21 27 o 43.73813 20.82827 -182.0198      147.0637 -132.0844      157.8441 -510.5822      404.8858 48.96380 22.76315 70.50170 33.83828 -21.53790      40.78223 
1 1 1 7   21 28 o 205.1751 10.53056 1247.056       126.2907 1230.202       132.3948 1417.292       420.7722 203.6604 11.12671 208.7110 35.65516 -5.050583      37.35096 
1 1 1 7   21 29 o 316.4249 8.023481 2952.051       148.7762 2877.726       156.9688 3608.831       466.6126 312.2921 8.578542 343.2006 23.32090 -30.90842      24.84866 
1 1 1 7   21 30 o 314.9192 7.927203 2924.661       146.2932 2955.209       155.4291 2687.484       433.0899 316.4555 8.382080 294.3241 25.33642 22.13135       26.68695 
1 1 1 7   21 31 o 135.6783 14.64424 555.9405       114.6834 581.3126       119.1696 237.8592       421.9449 138.7085 14.88153 105.0146 43.01190 33.69393       45.51355 
1 1 1 7   21 32 o 264.0458 8.769209 2062.353       135.6086 2049.035       142.2276 2195.527       449.7598 263.0672 9.232952 260.9813 29.92533 2.085876       31.31729 
1 1 1 7   21 33 o 275.0439 8.579774 2239.612       138.2283 2245.097       145.9681 2191.969       430.2096 275.2321 9.055241 260.0149 28.68819 15.21713       30.08338 
1 1 1 7   21 34 o 162.3112 11.63614 790.9688       110.0315 816.0154       114.1425 461.9293       413.7113 164.7894 11.89044 114.7743 43.95747 50.01514       45.53725 
1 1 1 7   21 35 o 123.6840 15.14061 471.3239       107.5391 424.1649       111.1303 1165.814       426.4651 116.6346 16.72420 173.1027 42.35900 -56.46810      45.54102 
1 1 1 7   21 36 o 145.3261 13.01587 642.7810       109.7612 666.1431       113.7457 326.7392       418.3621 147.8627 13.25730 101.6773 42.34760 46.18542       44.37426 
1 1 1 7   21 37 o 41.15001 19.10705 -79.40899      110.6854 -86.45155      114.8889 11.58527       412.9712 41.56435 19.35594 83.67942 38.13389 -42.11507      42.76501 
1 1 1 7   21 38 o 194.5663 10.54057 1139.996       119.8278 1155.255       125.4084 979.9016       406.2124 195.6540 10.97315 150.1362 43.57933 45.51775       44.93960 
1 1 1 7   21 39 o 101.7136 19.83437 340.3096       114.0656 366.8013       119.0762 45.25303       397.3958 105.6267 19.95316 81.46764 37.23359 24.15903       42.24298 
1 1 1 7   21 40 o 76.80279 22.43672 201.1259       107.3665 240.9235       111.2891 -333.7588      407.9945 83.92908 22.25136 67.88876 32.92242 16.04032       39.73674 
1 1 1 7   21 41 o 125.7608 17.23610 508.7555       123.7851 459.1215       129.3439 1049.253       426.8280 118.0686 19.34894 145.6665 45.23175 -27.59785      49.19647 
1 1 1 7   21 42 o 127.9302 15.97660 522.3105       117.2636 515.7971       121.8075 604.7582       433.3671 126.5805 16.82427 107.7316 43.79153 18.84888       46.91220 
1 1 1 7   21 43 o 106.5786 19.19129 378.7715       115.5458 428.7720       119.8146 -285.6501      436.7617 113.9549 18.56638 69.01576 33.60460 44.93918       38.39244 
1 1 1 7   21 44 o 193.8049 12.85802 1165.371       145.3205 1202.041       156.9023 944.1355       385.3931 196.0958 13.72977 135.6490 43.10188 60.44678       45.23581 
1 1 1 7   21 45 o 74.54817 25.25291 200.7371       131.4306 167.5074       138.8286 487.8317       408.0638 69.81304 25.72970 97.21490 41.23178 -27.40186      48.60120 
1 1 1 7   22 0  o 746.9813 14.86689 16446.61       651.2991 0.000000       0.000000 16446.61       651.2991 ?        ?        746.9813 14.86689 0.000000       14.86689 
1 1 1 7   22 1  o 708.8057 14.04929 14800.69       584.0258 0.000000       0.000000 14800.69       584.0258 ?        ?        708.8057 14.04929 0.000000       14.04929 
1 1 1 7   22 2  f 459.4253 8.348414 6199.663       224.9414 5807.869       367.0865 6435.234       284.6431 443.7686 14.12260 467.8623 10.37366 -24.09369      17.52315 
1 1 1 7   22 3  o 331.9765 8.410623 3239.319       163.6199 0.000000       0.000000 3239.319       163.6199 ?        ?        331.9765 8.410623 0.000000       8.410623 
1 1 1 7   22 4  o 426.7285 9.779866 5352.442       244.7570 0.000000       0.000000 5352.442       244.7570 ?        ?        426.7285 9.779866 0.000000       9.779866 
1 1 1 7   22 5  o 314.4096 7.153355 2902.554       131.9034 2820.979       247.7961 2934.808       155.8126 309.1220 13.70234 315.9609 8.415998 -6.838898      16.08052 
1 1 1 7   22 6  o 243.6387 6.797840 1744.144       97.03827 2012.203       220.1888 1679.532       108.1023 260.8389 14.45016 239.0094 7.722180 21.82947       16.38412 
1 1 1 7   22 7  o 207.0749 9.527092 1263.217       115.3913 1316.959       205.1571 1238.348       139.5588 210.4530 16.76027 204.7849 11.66836 5.668152       20.42199 
1 1 1 7   22 8  o 496.5649 11.08837 7256.434       322.9194 0.000000       0.000000 7256.434       322.9194 ?        ?        496.5649 11.08837 0.000000       11.08837 
1 1 1 7   22 9  o 168.6908 9.761903 839.6660       96.16507 908.7844       179.5643 811.8699       113.8714 174.3180 17.81436 165.6249 11.80029 8.693085       21.36816 
1 1 1 7   22 10 o 411.6552 10.19883 4985.961       246.2262 4600.081       298.6925 5804.256       434.9633 394.7967 12.91771 442.5748 16.78818 -47.77805      21.18278 
1 1 1 7   22 11 o 629.1567 12.06795 11665.45       445.2900 10959.69       560.3378 12875.01       733.5593 608.5804 15.71248 658.2833 19.02074 -49.70288      24.67125 
1 1 1 7   22 12 o 504.4472 10.67532 7492.665       315.8255 7082.157       395.5100 8215.049       524.6633 489.5737 13.78865 526.2779 17.02106 -36.70419      21.90532 
1 1 1 7   22 13 f 170.0440 15.62914 862.7525       154.1223 874.1774       180.4864 831.9894       296.1653 170.6334 18.32224 162.6967 32.17913 7.936737       37.02973 
1 1 1 7   22 14 o 544.4058 11.11091 8733.866       354.7505 8458.093       455.5995 9158.537       565.3718 534.6126 14.54445 555.2498 17.38323 -20.63721      22.66534 
1 1 1 7   22 15 o 32.06499 16.18098 -466.8580      143.7059 -489.2647      161.4570 -381.4357      315.2486 34.88688 17.54648 63.92295 30.45567 -29.03608      35.14864 
1 1 1 7   22 16 o 140.6157 18.35676 598.0654       147.7733 528.4136       168.5829 829.1043       307.0364 130.9556 22.77682 161.4445 33.52533 -30.48895      40.53062 
1 1 1 7   22 17 o 152.6495 16.49891 699.7109       145.3626 741.6990       171.6674 593.3220       273.2581 156.6161 19.08317 135.9958 34.27746 20.62021       39.23151 
1 1 1 7   22 18 o 230.3006 12.44244 1571.374       167.4308 1630.211       197.7148 1422.216       314.8002 234.1687 14.46723 215.5553 25.38787 18.61348       29.22062 
1 1 1 7   22 19 o 175.6715 15.92201 923.3635       162.2604 881.7886       192.4049 1025.746       301.9359 170.7673 19.56430 181.2103 29.41865 -10.44302      35.33014 
1 1 1 7   22 20 o 245.3127 13.11312 1784.414       187.9731 1878.374       221.2134 1540.327       356.5447 251.2646 15.08110 223.4969 27.80070 27.76767       31.62781 
1 1 1 7   22 21 o 56.77958 25.30115 -58.61516      170.4586 32.10311       194.4552 -359.6335      354.2165 68.38815 28.70422 69.88629 32.99823 -1.498138      43.73575 
1 1 1 7   22 22 o 178.2706 19.22418 958.7961       197.8176 1152.281       231.3471 432.6275       381.5073 195.2601 20.50798 121.3557 42.92483 73.90448       47.57224 
1 1 1 7   22 23 o 242.2870 15.19255 1747.507       214.7928 1899.226       252.1062 1345.724       410.2602 252.1199 17.15219 205.6324 35.28896 46.48749       39.23657 
1 1 1 7   22 24 o 122.7072 27.33529 475.2641       191.6767 553.4865       219.4951 224.0095       393.3837 132.1443 29.10968 105.3821 42.11259 26.76215       51.19418 
1 1 1 7   22 25 o 52.64183 24.30007 -129.0453      175.1618 -45.78539      193.7895 -500.7398      409.4542 61.74162 27.27243 71.57623 34.26749 -9.834610      43.79551 
1 1 1 7   22 26 o 196.0855 17.24931 1156.266       196.3465 1277.242       228.4277 814.0190       384.2090 205.5809 19.16676 155.8315 41.35802 49.74947       45.58345 
1 1 1 7   22 27 o 160.1823 21.32133 787.9987       195.3296 908.3615       219.8256 336.4312       425.7878 171.8001 22.34651 113.9384 44.33740 57.86166       49.65050 
1 1 1 7   22 28 o 151.3203 18.13952 696.8989       157.7761 628.8455       170.5599 1100.499       415.3629 142.7512 20.99958 180.2802 40.29934 -37.52893      45.44248 
1 1 1 7   22 29 o 190.1673 13.34622 1080.578       147.9034 1103.219       161.1513 959.6088       372.4959 191.8608 14.42746 168.4064 38.54924 23.45442       41.16061 
1 1 1 7   22 30 o 205.6825 10.39613 1255.233       124.9997 1217.093       130.8929 1650.411       421.3279 202.3667 11.07093 225.2808 32.85624 -22.91417      34.67129 
1 1 1 7   22 31 o 250.7612 9.282616 1861.895       136.2796 1802.438       144.6817 2329.662       405.8144 246.5201 10.02809 272.2348 25.72253 -25.71469      27.60817 
1 1 1 7   22 32 o 212.9845 9.950752 1347.901       123.9516 1315.980       129.6992 1684.296       421.0451 210.2704 10.55112 224.8129 32.90876 -14.54242      34.55883 
1 1 1 7   22 33 o 118.7206 16.48028 435.6392       111.6569 444.7525       116.1396 324.3742       405.8091 119.7826 17.01014 105.2147 42.51878 14.56793       45.79510 
1 1 1 7   22 34 f 72.15126 22.43653 166.2709       104.9791 186.2426       109.4181 -64.99854      372.3410 75.86433 22.77566 79.15436 36.12461 -3.290031      42.70501 
1 1 1 7   22 35 o 178.0749 11.42385 954.8199       118.6776 929.9288       123.5115 1254.276       428.4028 175.4612 12.07626 179.1486 41.57784 -3.687393      43.29610 
1 1 1 7   22 36 o 80.68154 22.17223 215.7507       108.1390 243.5983       112.0521 -162.1960      412.8017 85.65178 22.14472 76.91336 36.09993 8.738419       42.35084 
1 1 1 7   22 37 o 97.04427 21.28779 311.9310       117.8185 370.7159       123.5442 -278.5404      391.5516 106.4013 20.54208 70.05991 33.53307 36.34142       39.32485 
1 1 1 7   22 38 o 77.37292 22.97655 202.6465       111.8256 202.4922       116.6155 204.4101       394.2279 77.27399 23.57996 89.30402 39.19257 -12.03004      45.73917 
1 1 1 7   22 39 o 111.1626 24.03921 425.8492       152.1527 415.4282       169.1836 469.9321       347.9683 107.8139 26.85716 104.8532 40.27423 2.960770       48.40785 
1 1 1 7   22 40 o 47.87181 21.94680 -57.10585      139.4926 -46.78486      152.0370 -112.0204      350.6974 50.76802 23.13659 69.96545 32.97398 -19.19744      40.28133 
1 1 1 7   22 41 o 122.8284 22.73099 518.2901       157.7155 440.4034       173.0304 900.7640       383.4350 109.5826 27.08130 136.2867 42.95318 -26.70415      50.77768 
1 1 1 7   22 42 o 82.60965 23.16825 241.0437       116.7647 292.3942       121.8248 -338.8652      409.3956 91.24714 22.82462 65.94585 32.20306 25.30129       39.47152 
1 1 1 7   22 43 o 71.87152 24.05254 181.2969       119.2448 141.6679       125.7327 535.8342       376.0734 65.99496 24.45664 102.6802 41.12730 -36.68527      47.84958 
1 1 1 7   22 44 o 95.97089 24.78806 336.3674       140.4933 392.4604       153.6821 50.99832       346.6354 103.2917 25.51976 73.78332 34.10349 29.50839       42.59467 
1 1 1 7   23 0  o 691.2687 14.08236 14090.17       570.9169 0.000000       0.000000 14090.17       570.9169 ?        ?        691.2687 14.08236 0.000000       14.08236 
1 1 1 7   23 1  o 506.6087 8.706768 7542.056       258.6903 7242.467       419.7543 7725.529       328.4875 495.3121 14.46543 512.4202 10.93055 -17.10806      18.13079 
1 1 1 7   23 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   23 3  o 323.0715 8.579060 3069.329       162.4069 0.000000       0.000000 3069.329       162.4069 ?        ?        323.0715 8.579060 0.000000       8.579060 
1 1 1 7   23 4  o 421.1739 7.856861 5211.165       194.0712 4839.130       311.7606 5446.541       247.9765 404.9893 13.14325 430.3599 9.824903 -25.37057      16.40956 
1 1 1 7   23 5  o 260.2639 7.164766 1990.913       109.2580 1760.963       210.5962 2075.600       127.8030 243.8066 14.79805 265.6508 8.212992 -21.84418      16.92440 
1 1 1 7   23 6  o 199.8676 7.131964 1174.760       83.46517 1126.089       187.9579 1186.715       93.15356 194.4268 16.64361 200.8162 7.925083 -6.389465      18.43412 
1 1 1 7   23 7  o 322.7250 7.380581 3059.548       139.6927 2764.555       235.6816 3219.309       173.4429 305.9023 13.16772 330.7857 8.948666 -24.88342      15.92067 
1 1 1 7   23 8  o 159.6040 8.491617 750.9146       79.19885 423.3119       180.4569 829.0697       88.14114 116.4724 26.95254 167.6754 8.996043 -51.20301      28.41423 
1 1 1 7   23 9  o 187.7453 9.309908 1039.312       102.1900 861.0648       185.2624 1117.262       122.5136 169.2625 18.98984 194.4992 10.78248 -25.23665      21.83749 
1 1 1 7   23 10 o 215.5558 13.30060 1376.508       167.3252 1434.926       201.4197 1246.414       300.5785 219.6605 15.73937 202.1467 25.95160 17.51379       30.35150 
1 1 1 7   23 11 o 55.05586 24.32130 -43.08049      154.1506 -100.5595      186.7423 79.85432       273.1024 57.00030 25.84503 83.50954 34.44602 -26.50924      43.06384 
1 1 1 7   23 12 o 582.0296 11.78633 9989.231       402.3225 9987.180       538.7852 9991.816       604.8718 580.4608 15.84158 579.7778 17.81011 0.6830444      23.83601 
1 1 1 7   23 13 f 57.93940 24.66289 5.170118       146.9087 17.75977       164.8941 -43.28166      323.4842 62.40052 26.32562 81.26526 35.58796 -18.86474      44.26670 
1 1 1 7   23 14 o 191.4666 13.76626 1089.528       153.5504 1134.263       174.1335 933.1461       325.5740 195.0679 15.34455 171.5308 33.56604 23.53714       36.90710 
1 1 1 7   23 15 o 201.0715 13.04242 1199.814       152.9712 1125.162       177.1327 1418.836       303.4037 194.1653 15.68873 215.7445 24.40711 -21.57918      29.01454 
1 1 1 7   23 16 o 321.7931 10.36631 3055.191       195.3819 3055.575       231.1865 3054.230       365.4960 321.4163 12.28696 319.2438 19.61606 2.172516       23.14647 
1 1 1 7   23 17 o 250.7348 12.07353 1860.882       177.0195 1833.261       206.9267 1936.257       341.8330 248.4046 14.26383 252.6308 23.33516 -4.226227      27.34935 
1 1 1 7   23 18 o 59.88899 25.41194 11.06089       155.1186 28.68136       177.5616 -45.72469      318.7567 65.38303 27.43507 80.15356 35.20726 -14.77053      44.63445 
1 1 1 7   23 19 o 318.6223 11.22147 2998.937       209.3620 3052.726       258.2159 2895.724       357.6880 320.8837 13.75287 310.7097 19.73096 10.17392       24.05104 
1 1 1 7   23 20 o 277.0029 12.96698 2273.178       210.0714 2334.668       248.0979 2117.428       394.8510 280.2158 15.15300 263.3313 25.90191 16.88452       30.00871 
1 1 1 7   23 21 o 205.0851 16.87057 1258.344       201.1225 1226.806       232.5781 1351.855       400.4844 201.6947 19.92171 206.6638 34.24022 -4.969025      39.61397 
1 1 1 7   23 22 o 210.8618 16.52010 1329.198       202.6666 1329.671       232.2847 1327.689       414.7665 210.2455 19.04474 203.8528 36.00900 6.392639       40.73512 
1 1 1 7   23 23 o 116.3670 28.43321 429.5269       192.3677 501.9845       220.7624 200.9539       392.0989 125.4690 30.33785 103.6107 41.82159 21.85823       51.66653 
1 1 1 7   23 24 o 156.7777 21.80095 753.0513       195.0361 791.3562       222.3904 625.4429       405.9091 159.9319 24.48825 138.2211 44.26901 21.71077       50.59070 
1 1 1 7   23 25 o 165.0075 21.05104 832.1734       199.0847 697.0029       225.3049 1313.629       425.2143 148.9326 26.77909 200.6281 37.51704 -51.69542      46.09391 
1 1 1 7   23 26 o 385.3289 12.01814 4401.373       271.2616 4407.787       321.7054 4385.593       504.5770 384.7584 14.28151 379.3982 22.78174 5.360168       26.88808 
1 1 1 7   23 27 o 200.2277 17.12425 1209.433       199.1595 1190.574       224.0919 1280.317       434.4561 197.8116 19.57259 195.4379 39.26830 2.373779       43.87580 
1 1 1 7   23 28 o 75.70707 28.67799 139.0346       174.8725 120.4114       195.1075 215.1051       394.3255 75.96889 29.88024 102.2864 41.69978 -26.31752      51.30010 
1 1 1 7   23 29 o 247.2445 10.81420 1813.897       156.4299 1777.664       171.0103 1999.608       387.1604 244.4358 11.96544 252.4787 26.54315 -8.042908      29.11547 
1 1 1 7   23 30 o 146.4135 17.83464 656.4221       149.9867 614.0598       160.0958 960.4388       428.8828 140.8076 19.94419 163.3653 43.85007 -22.55775      48.17260 
1 1 1 7   23 31 o 51.97189 22.32230 3.369634       122.3201 -55.72655      129.5966 485.7353       370.2560 47.99355 21.66807 119.1190 42.27237 -71.12543      47.50219 
1 1 1 7   23 32 o 240.9646 9.304657 1724.634       131.2463 1689.701       137.7868 2066.612       431.1084 238.3147 9.879827 249.8442 30.02239 -11.52957      31.60625 
1 1 1 7   23 33 o 119.5694 17.93915 448.1268       121.9206 461.2540       127.3572 304.1427       421.7885 121.0929 18.52073 102.8177 42.64600 18.27518       46.49407 
1 1 1 7   23 34 o 95.03062 21.53003 295.6069       117.2045 349.8375       122.2792 -317.3724      411.1054 103.8969 20.79407 72.29527 34.53695 31.60160       40.31370 
1 1 1 7   23 35 o 249.6686 9.521163 1861.599       139.1579 1934.342       147.7168 1287.885       414.8407 254.3088 9.923216 182.2176 39.92452 72.09122       41.13924 
1 1 1 7   23 36 o 64.82833 23.22322 125.6573       112.0027 129.4369       116.8453 82.87425       393.1200 65.80847 23.70198 84.97371 38.10332 -19.16524      44.87368 
1 1 1 7   23 37 o 122.2269 17.04766 474.2440       118.8828 557.2374       127.0471 -109.9445      337.0695 132.8424 16.67346 70.57690 32.96189 62.26550       36.93901 
1 1 1 7   23 38 o 137.5327 14.67569 589.3345       116.5468 604.9625       123.9345 469.8491       342.6871 138.9161 15.47450 105.4037 40.09458 33.51241       42.97715 
1 1 1 7   23 39 o 53.33262 23.91193 -19.95012      154.7654 90.44755       170.7385 -528.5359      366.4659 65.07358 27.07385 58.84526 29.07454 6.228317       39.72810 
1 1 1 7   23 40 o 146.1160 14.99996 671.5845       126.7168 719.2329       134.0333 270.5421       388.8517 151.0184 15.34615 89.16946 39.03465 61.84897       41.94291 
1 1 1 7   23 41 o 47.46588 21.20022 -15.37475      120.4092 -43.05973      125.9438 279.0157       410.6922 46.13637 21.03812 88.87458 39.45706 -42.73821      44.71534 
1 1 1 7   23 42 o 130.0502 17.66012 551.8196       131.2190 482.7896       137.6626 1237.850       433.9787 119.6204 20.35087 155.8094 44.99006 -36.18901      49.37878 
1 1 1 7   23 43 o 44.73574 20.61909 -55.83202      125.4276 -89.21963      131.0301 309.7416       433.5764 43.42673 20.36867 88.52271 39.82887 -45.09598      44.73501 
1 1 1 7   23 44 o 57.80400 24.31474 67.75894       140.0060 71.07078       148.5710 41.49415       418.3948 59.08587 24.96110 76.27643 35.96909 -17.19056      43.78164 
1 1 1 7   24 0  o 82.61086 31.18383 154.9830       206.3480 154.9830       206.3480 0.000000       0.000000 82.61086 31.18383 ?        ?        0.000000       31.18383 
1 1 1 7   24 1  o 506.4995 8.888247 7542.555       264.0253 6684.975       395.0842 8234.612       354.9141 475.6680 14.17817 528.7704 11.44473 -53.10248      18.22093 
1 1 1 7   24 2  o 403.4034 9.517889 4786.509       225.1804 0.000000       0.000000 4786.509       225.1804 ?        ?        403.4034 9.517889 0.000000       9.517889 
1 1 1 7   24 3  o 280.0095 7.274217 2304.834       119.3553 1839.348       223.6548 2490.188       141.1319 248.9835 15.39166 290.9543 8.279263 -41.97073      17.47711 
1 1 1 7   24 4  o 189.8828 7.632753 1061.123       84.82649 892.4138       206.3914 1095.413       93.04862 171.9500 20.89463 192.8740 8.244967 -20.92398      22.46252 
1 1 1 7   24 5  o 318.4582 7.294791 2979.505       136.2435 2931.565       250.0384 2999.750       162.4834 314.8704 13.57205 319.2957 8.684979 -4.425323      16.11302 
1 1 1 7   24 6  o 236.4746 7.160907 1644.352       99.19787 1283.285       214.6564 1742.400       111.8585 207.2605 17.83265 243.3625 7.847534 -36.10196      19.48300 
1 1 1 7   24 7  o 241.1716 7.274354 1710.498       102.7719 1991.981       230.2582 1640.473       114.8460 259.0813 15.22110 236.0744 8.307956 23.00690       17.34082 
1 1 1 7   24 8  o 185.0008 8.113954 1008.078       87.82112 645.3708       188.4033 1108.765       99.26496 145.2476 22.87276 193.9697 8.748445 -48.72205      24.48874 
1 1 1 7   24 9  o 252.2459 8.906394 1874.024       131.5511 1612.274       220.9460 2017.774       163.7368 232.7023 16.29249 261.5049 10.69878 -28.80254      19.49126 
1 1 1 7   24 10 o 274.6406 11.52215 2227.766       185.1752 2070.522       221.8240 2589.246       336.3294 264.2208 14.36906 294.2079 19.60400 -29.98709      24.30611 
1 1 1 7   24 11 o 272.7269 12.43969 2200.107       198.4463 2161.528       236.4782 2291.957       364.8822 269.7902 15.00474 275.6336 22.77508 -5.843353      27.27356 
1 1 1 7   24 12 o 120.6135 22.57868 449.6230       153.8461 381.0122       174.2142 692.6534       327.8819 110.0565 27.15923 146.3189 37.90668 -36.26239      46.63196 
1 1 1 7   24 13 o 368.0061 10.49670 3994.875       226.3155 3878.529       272.1202 4255.887       407.5824 362.0728 12.83518 377.5459 18.46351 -15.47305      22.48651 
1 1 1 7   24 14 o 254.5266 11.72730 1916.147       174.5875 1771.449       200.0660 2378.191       357.5068 244.2491 14.02554 280.7993 21.88153 -36.55013      25.99072 
1 1 1 7   24 15 o 234.2652 12.56377 1626.304       171.9835 1678.721       200.5131 1480.415       334.5185 237.6234 14.45649 219.5109 26.52146 18.11252       30.20559 
1 1 1 7   24 16 o 103.2218 26.13062 335.1332       158.3101 259.7221       179.2799 602.1058       337.3243 92.57213 29.39548 136.2782 39.75751 -43.70605      49.44445 
1 1 1 7   24 17 o 180.5291 16.30507 975.7377       170.7727 845.9426       194.8875 1405.011       354.4228 167.0077 20.31481 212.7572 29.17180 -45.74953      35.54835 
1 1 1 7   24 18 o 171.7842 18.01706 888.1933       178.8194 976.6083       206.8823 626.9943       355.5872 179.7138 19.96525 138.9155 40.90023 40.79825       45.51308 
1 1 1 7   24 19 o 173.2242 18.81270 904.9061       188.0564 898.4645       224.9919 919.8383       342.5566 171.4661 22.94945 169.1972 35.64828 2.268936       42.39666 
1 1 1 7   24 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   24 21 o 248.7914 14.95846 1841.882       217.2511 1926.249       253.6368 1609.475       420.9693 253.8770 17.13523 226.3476 32.65523 27.52939       36.87791 
1 1 1 7   24 22 f 52.43365 24.55758 -178.5744      189.2979 -65.96423      214.0839 -582.1698      405.2922 63.75752 28.38605 68.69859 33.19405 -4.941071      43.67623 
1 1 1 7   24 23 o 180.7231 19.32415 988.7274       201.6412 994.5888       231.4403 970.2606       410.8012 180.3264 22.36306 170.5363 41.47791 9.790100       47.12243 
1 1 1 7   24 24 o 234.7030 14.86116 1643.885       203.5102 1617.091       232.6888 1731.073       419.7461 232.0877 17.21778 234.1975 31.34647 -2.109848      35.76386 
1 1 1 7   24 25 o 59.39313 26.67278 -73.38586      193.4360 -109.1366      217.5974 61.31158       422.3682 61.11103 27.78358 96.13982 41.38855 -35.02878      49.84916 
1 1 1 7   24 26 o 119.8834 28.27406 462.9688       195.5430 504.7625       219.4686 302.0258       430.6783 124.6492 30.31697 111.1283 44.17743 13.52087       53.57951 
1 1 1 7   24 27 o 71.84664 27.64604 116.7306       164.1701 188.6939       182.7932 -183.4367      373.3243 82.41006 29.65007 78.06827 35.83234 4.341789       46.50896 
1 1 1 7   24 28 o 108.3072 27.62469 379.9089       176.0009 247.4692       195.6574 941.4705       402.8894 90.37093 30.80860 164.3320 41.73226 -73.96105      51.87245 
1 1 1 7   24 29 f 196.8696 18.08777 1181.052       206.5079 1092.523       233.5292 1498.568       442.2622 187.7960 21.59601 210.5212 37.17978 -22.72519      42.99679 
1 1 1 7   24 30 o 191.4238 13.29484 1100.125       148.3278 1153.936       158.5206 721.5922       420.4357 195.8645 13.89012 139.9846 45.07560 55.87996       47.16721 
1 1 1 7   24 31 o 55.05166 22.12561 52.87925       109.2333 51.97890       113.4707 64.26340       403.4855 55.66076 22.48694 89.94586 39.55629 -34.28510      45.50124 
1 1 1 7   24 32 o 126.6209 15.85115 494.6720       115.1389 479.2004       120.0958 670.5712       404.9417 124.1736 16.93165 130.3666 44.32421 -6.193069      47.44804 
1 1 1 7   24 33 o 42.04031 19.43805 -76.59856      112.7497 -133.8379      118.2418 496.9751       374.2985 39.29933 18.70364 114.0772 42.21134 -74.77785      46.16951 
1 1 1 7   24 34 o 44.45229 20.30166 -58.66533      117.8686 -94.28849      123.3476 315.8012       399.9182 42.92146 20.01062 99.82948 41.47637 -56.90803      46.05122 
1 1 1 7   24 35 o 75.19837 24.11131 186.2971       120.3876 205.1254       126.8178 14.62929       382.9302 78.40265 24.70141 81.25654 36.90900 -2.853889      44.41209 
1 1 1 7   24 36 o 44.14922 20.15326 -52.99358      115.9656 -46.18354      122.1612 -115.0682      368.8209 45.98135 20.87054 73.36590 34.33450 -27.38455      40.18007 
1 1 1 7   24 37 o 69.53038 24.67222 154.4838       126.1235 211.1767       135.8072 -201.0587      340.0981 78.47594 25.64558 66.78245 31.76575 11.69350       40.82596 
1 1 1 7   24 38 f 180.5742 11.91582 995.1346       125.4862 953.7137       131.7725 1398.452       411.1857 176.2094 12.83912 183.4258 39.39911 -7.216385      41.43830 
1 1 1 7   24 39 o 64.92807 24.42886 127.7439       126.4021 144.1043       133.2965 -18.25091      398.1894 67.65577 25.16088 76.52626 35.76846 -8.870491      43.73160 
1 1 1 7   24 40 o 82.87871 24.21308 244.8616       125.0371 261.9794       131.6762 87.83569       398.8128 85.36302 24.82162 79.79041 36.77281 5.572609       44.36612 
1 1 1 7   24 41 o 155.7602 15.01719 766.8607       135.4829 681.2076       142.6838 1551.771       431.9299 145.2330 17.07769 186.1193 40.70646 -40.88629      44.14367 
1 1 1 7   24 42 o 155.3649 17.21932 783.5073       154.2676 812.0897       163.9868 563.5978       454.8636 157.4338 18.08899 101.3586 43.27873 56.07518       46.90693 
1 1 1 7   24 43 o 118.1444 22.28580 486.8586       148.7552 459.6238       157.7335 705.8682       447.2943 112.7911 24.54408 109.1251 44.44059 3.665939       50.76788 
1 1 1 7   25 0  o 615.2205 13.24718 11173.08       477.9747 0.000000       0.000000 11173.08       477.9747 ?        ?        615.2205 13.24718 0.000000       13.24718 
1 1 1 7   25 1  o 654.3730 10.68448 12611.26       410.0430 12546.02       656.8068 12652.93       524.8977 650.2015 17.23941 654.5486 13.67358 -4.347046      22.00373 
1 1 1 7   25 2  o 517.9282 11.21244 7904.092       340.5808 0.000000       0.000000 7904.092       340.5808 ?        ?        517.9282 11.21244 0.000000       11.21244 
1 1 1 7   25 3  o 403.9876 7.903819 4797.429       187.2646 4340.580       308.0221 5065.292       235.8587 383.0966 13.73176 414.8598 9.693934 -31.76318      16.80873 
1 1 1 7   25 4  o 321.4438 8.767213 3041.323       165.1244 0.000000       0.000000 3041.323       165.1244 ?        ?        321.4438 8.767213 0.000000       8.767213 
1 1 1 7   25 5  o 381.6075 7.737379 4280.521       173.1655 3828.158       284.3845 4547.078       218.3023 359.7523 13.50278 393.0753 9.469608 -33.32309      16.49238 
1 1 1 7   25 6  o 265.1325 7.140455 2067.113       110.9287 1855.942       222.0905 2137.306       128.0446 249.9453 15.22295 269.4912 8.110744 -19.54590      17.24884 
1 1 1 7   25 7  f 235.7054 7.267487 1634.289       100.3426 1742.194       206.9711 1601.134       114.7274 242.2318 14.63724 233.1757 8.403191 9.056152       16.87787 
1 1 1 7   25 8  o 42.26231 15.81165 39.81606       52.79658 -167.2084      184.9609 58.18081       55.08858 52.43021 24.46370 46.84986 16.33154 5.580345       29.41415 
1 1 1 7   25 9  o 225.0613 8.609426 1492.419       113.4290 1465.040       202.0899 1505.012       137.0534 221.7742 15.63783 225.7682 10.37862 -3.994003      18.76852 
1 1 1 7   25 10 o 204.8064 14.89617 1248.968       177.7009 1187.118       210.5714 1401.995       331.2206 198.8804 18.25683 213.5521 27.05227 -14.67166      32.63644 
1 1 1 7   25 11 o 328.5463 11.50408 3188.949       221.3239 3276.134       273.6528 3024.068       376.3268 332.4058 14.06902 317.4332 20.32119 14.97263       24.71615 
1 1 1 7   25 12 o 77.27496 27.67309 157.7865       159.0237 177.7661       179.0124 83.01039       346.3148 81.82302 29.35381 91.55263 38.35872 -9.729607      48.30152 
1 1 1 7   25 13 o 178.9083 15.64364 956.8881       162.4921 1079.934       188.3799 599.2144       321.1772 189.8053 17.10631 135.9783 38.52591 53.82700       42.15296 
1 1 1 7   25 14 o 259.2543 11.81687 1988.608       179.1991 2075.788       211.7682 1768.749       336.2969 264.4886 13.69891 241.0516 24.11149 23.43703       27.73128 
1 1 1 7   25 15 o 52.26442 23.49854 -66.70830      150.6203 -103.7947      170.3856 65.89883       322.1874 53.48621 24.42042 87.66059 36.88004 -34.17439      44.23228 
1 1 1 7   25 16 o 175.6632 17.33111 926.7186       176.2255 893.5178       201.8265 1033.250       361.5288 171.6657 20.44824 179.5062 35.59867 -7.840561      41.05358 
1 1 1 7   25 17 o 39.39152 19.56167 -415.4196      173.8838 -407.4180      197.5244 -442.9734      366.5425 44.01144 21.66908 68.45253 32.67651 -24.44109      39.20845 
1 1 1 7   25 18 o 87.91456 29.93016 222.1691       184.6493 186.1890       209.4563 347.6474       391.1535 85.72816 31.60246 114.7807 43.01814 -29.05252      53.37861 
1 1 1 7   25 19 o 160.2431 20.90036 781.3351       191.7426 719.5507       218.9266 984.8097       397.2962 152.3776 25.39080 173.4665 39.88651 -21.08885      47.28241 
1 1 1 7   25 20 o 105.3518 29.24951 350.3520       187.1206 395.1028       214.6056 208.4399       382.1643 111.6031 31.44818 103.3577 41.43840 8.245399       52.02047 
1 1 1 7   25 21 o 146.0054 23.47153 658.6487       194.1733 755.3714       221.3961 336.2965       404.1767 156.0779 25.03272 114.0510 43.50515 42.02692       50.19298 
1 1 1 7   25 22 o 110.8979 28.69182 392.0145       188.0151 388.1107       210.9946 407.0647       414.2884 110.2803 31.21951 119.6375 44.38314 -9.357193      54.26344 
1 1 1 7   25 23 o 108.0170 29.87011 373.2843       195.5753 496.1863       223.4605 -29.02709      404.2988 124.0126 30.85093 89.93455 39.57212 34.07803       50.17702 
1 1 1 7   25 24 o 133.4526 25.77251 562.9836       194.4097 722.3062       221.5781 30.17859       405.2026 151.5649 25.85424 92.69014 40.22120 58.87480       47.81408 
1 1 1 7   25 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   25 26 o 275.0271 13.60227 2256.475       218.7196 2272.383       252.5699 2208.773       437.3654 275.2185 15.71310 264.5815 28.64225 10.63702       32.66925 
1 1 1 7   25 27 o 66.11247 27.62766 44.33865       178.9464 -19.45129      202.9763 266.9110       379.1446 64.43964 28.20569 104.2150 41.44333 -39.77535      50.13093 
1 1 1 7   25 28 o 282.2980 12.74280 2378.129       210.4273 2326.742       237.4227 2566.336       454.3739 278.4772 14.58811 284.5258 27.57489 -6.048584      31.19595 
1 1 1 7   25 29 o 68.13827 27.65847 80.09539       172.5912 101.8143       189.7733 -23.81343      415.0899 72.50932 29.15581 88.01791 39.33394 -15.50858      48.96141 
1 1 1 7   25 30 o 66.07269 27.97252 43.01147       187.2417 18.92448       209.5741 138.3047       416.8477 67.14099 29.03062 94.97720 41.00418 -27.83621      50.24062 
1 1 1 7   25 31 o 160.8815 19.80570 813.5405       182.9333 871.5862       204.6078 582.2867       408.3960 165.5923 21.58140 122.9432 44.30772 42.64914       49.28418 
1 1 1 7   25 32 o 138.1656 18.15188 599.1060       143.5320 586.4597       152.6988 695.0486       420.5919 135.8942 19.73614 129.8311 45.13410 6.063080       49.26055 
1 1 1 7   25 33 o 42.27557 19.67705 -88.75700      118.4921 -24.14913      125.1533 -647.6843      368.1097 48.91826 21.74605 58.33395 28.87939 -9.415688      36.15120 
1 1 1 7   25 34 o 194.1299 11.69346 1138.921       132.5159 1118.014       140.7804 1301.469       392.5408 191.8886 12.57893 184.9910 37.46729 6.897644       39.52249 
1 1 1 7   25 35 o 136.7781 15.30358 582.8224       120.6591 703.8568       127.7592 -416.2141      367.0529 150.8075 14.62857 63.16098 30.76559 87.64653       34.06636 
1 1 1 7   25 36 o 65.52519 23.24703 133.7674       111.9691 93.88802       118.3828 472.1779       344.8550 60.22937 23.39504 105.9419 40.23958 -45.71252      46.54623 
1 1 1 7   25 37 o 190.9000 12.05894 1112.386       134.3199 1065.577       142.6761 1477.249       398.3355 186.1348 13.15467 193.1347 36.50444 -6.999924      38.80231 
1 1 1 7   25 38 o 133.8194 16.06842 568.6978       123.5886 554.8827       129.9997 698.4910       398.4670 131.3988 17.28844 118.6113 43.61169 12.78756       46.91343 
1 1 1 7   25 39 o 137.5895 20.94633 635.4340       163.6956 668.7424       179.8811 474.9327       394.8645 139.7019 22.73608 100.5137 41.43539 39.18817       47.26331 
1 1 1 7   25 40 o 52.21359 22.56811 24.65086       126.5621 34.52544       133.1255 -68.14854      408.1075 54.16986 23.27717 73.87609 35.04089 -19.70623      42.06769 
1 1 1 7   25 41 o 60.89493 24.62930 96.29559       136.2935 63.11686       143.2399 413.7043       443.0407 58.03985 24.51368 93.88483 41.36317 -35.84498      48.08152 
1 1 1 7   25 42 o 45.34752 21.36822 -103.8663      147.1626 -104.6431      154.3540 -96.10759      487.8130 46.50834 21.90562 75.72849 36.54790 -29.22014      42.60992 
1 1 1 7   26 0  o 503.2997 18.09853 7541.805       533.3508 0.000000       0.000000 7541.805       533.3508 ?        ?        503.2997 18.09853 0.000000       18.09853 
1 1 1 7   26 1  o 501.5194 11.08861 7414.639       326.1486 0.000000       0.000000 7414.639       326.1486 ?        ?        501.5194 11.08861 0.000000       11.08861 
1 1 1 7   26 2  o 135.1676 9.357546 540.3317       73.72181 517.9221       191.9250 544.2104       79.84737 128.7989 26.29836 135.5578 10.11646 -6.758896      28.17706 
1 1 1 7   26 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   26 4  f 277.5215 7.502207 2265.767       121.9938 2638.119       249.4566 2148.724       139.8590 298.2530 14.30300 270.0821 8.841579 28.17093       16.81516 
1 1 1 7   26 5  o 93.04202 12.52224 260.1492       66.59686 238.6903       184.8349 263.3506       71.39192 90.20801 29.93975 93.46124 13.40816 -3.253227      32.80499 
1 1 1 7   26 6  o 117.2043 9.743169 407.3391       66.36710 191.7914       179.4616 441.4879       71.43110 83.69183 29.45457 122.0060 10.07253 -38.31419      31.12921 
1 1 1 7   26 7  o 158.3982 8.917362 740.7924       82.50494 596.9290       196.6935 771.5092       90.88708 138.6781 25.10835 161.5683 9.635464 -22.89026      26.89371 
1 1 1 7   26 8  o 275.1011 8.378659 2228.722       135.0240 2149.577       226.4534 2272.382       168.1924 269.0460 14.40415 277.4761 10.35363 -8.430084      17.73915 
1 1 1 7   26 9  o 231.9740 13.71975 1597.718       185.8199 1755.455       233.4590 1325.039       306.9515 242.5408 16.51096 207.8490 25.72984 34.69186       30.57182 
1 1 1 7   26 10 o 262.5200 11.13675 2036.835       171.0739 0.000000       0.000000 2036.835       171.0739 ?        ?        262.5200 11.13675 0.000000       11.13675 
1 1 1 7   26 11 o 304.4319 12.14789 2741.890       216.4555 2955.633       267.1891 2333.751       369.2124 315.5170 14.47786 277.6526 22.87656 37.86441       27.07296 
1 1 1 7   26 12 o 404.2252 11.04926 4824.200       261.6974 5121.202       337.6231 4377.197       414.1977 415.6865 13.86833 382.6706 18.51067 33.01587       23.12954 
1 1 1 7   26 13 o 96.29070 27.70265 289.2682       164.8245 327.8046       189.9377 171.7584       331.6753 102.3186 29.82847 96.28191 38.60329 6.036713       48.78475 
1 1 1 7   26 14 o 88.37080 28.10111 235.4733       163.7904 267.2766       188.7812 138.6410       329.4071 94.05595 30.19673 93.60083 38.13020 0.4551163      48.63903 
1 1 1 7   26 15 o 131.0200 23.60794 531.6523       174.7323 462.3279       198.6956 768.1782       367.0158 120.8787 28.49590 153.0664 40.32775 -32.18769      49.37959 
1 1 1 7   26 16 f 210.1580 15.71298 1317.776       192.2649 1459.720       229.6685 985.3018       351.4980 220.7016 17.89719 175.3040 35.40908 45.39760       39.67508 
1 1 1 7   26 17 o 320.9537 12.47767 3048.431       234.4219 2733.365       272.3356 3949.590       460.5789 303.1667 15.36708 362.1636 21.78519 -58.99692      26.65973 
1 1 1 7   26 18 o 108.6554 28.66029 373.5058       185.2308 570.7189       219.1468 -119.8611      346.6189 134.3842 28.67973 79.47445 35.69680 54.90975       45.79070 
1 1 1 7   26 19 o 168.4854 19.51309 859.8990       189.2536 838.3962       216.3677 929.9261       390.4615 165.3496 22.92819 167.9427 40.18196 -2.593079      46.26328 
1 1 1 7   26 20 o 215.8496 15.86718 1393.046       199.4599 1391.155       229.9005 1398.801       401.1048 214.9922 18.41040 209.5330 33.78945 5.459167       38.47947 
1 1 1 7   26 21 o 86.24132 30.51735 207.5422       192.8488 192.1801       220.1899 258.1340       399.5869 86.86237 32.33152 107.4010 42.59899 -20.53867      53.47897 
1 1 1 7   26 22 o 85.05558 30.37441 200.6124       191.4469 176.4128       216.8456 286.1432       407.6689 84.61391 31.96114 109.3644 43.13762 -24.75048      53.68769 
1 1 1 7   26 23 o 337.7452 12.88123 3390.097       254.6832 3633.212       308.4133 2868.889       451.5783 348.7986 15.11261 304.7516 25.49956 44.04700       29.64150 
1 1 1 7   26 24 o 265.0735 14.12961 2097.949       218.8644 1998.361       251.8731 2404.957       442.2350 257.7523 16.75283 277.2037 27.56713 -19.45139      32.25839 
1 1 1 7   26 25 o 104.9977 28.92395 356.7502       183.7760 386.2669       206.9241 246.5235       399.8714 108.9069 30.94601 104.6117 42.23105 4.295242       52.35567 
1 1 1 7   26 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   26 27 o 295.2542 12.98845 2603.363       224.3571 2728.539       266.9642 2302.370       413.9702 301.3065 15.15622 270.0466 26.47845 31.25983       30.50933 
1 1 1 7   26 28 o 56.52333 25.50740 -67.72918      179.3525 -98.47123      199.5329 61.60408       409.2636 57.87744 26.42589 91.73718 40.10500 -33.85974      48.02852 
1 1 1 7   26 29 o 122.7642 24.52745 490.0695       170.4114 621.6449       189.7910 -57.29956      387.1047 138.8159 24.19118 82.44330 37.31317 56.37260       44.46893 
1 1 1 7   26 30 o 133.0789 24.56081 579.9034       184.6311 570.9463       206.9660 614.8137       408.5937 130.1205 27.95463 125.5854 44.42235 4.535057       52.48625 
1 1 1 7   26 31 o 122.3821 25.60777 501.3430       177.8854 571.0652       199.9134 236.2388       389.8204 129.9082 27.11682 95.84700 40.45868 34.06117       48.70551 
1 1 1 7   26 32 f 65.08037 27.82576 46.25245       188.4843 121.3441       211.6098 -242.0762      414.6522 74.21455 30.43546 74.51786 35.33813 -0.3033142     46.63797 
1 1 1 7   26 33 o 75.29339 29.10485 161.3541       182.5507 111.8474       205.2413 348.8477       399.4165 72.31378 29.84794 100.8940 41.64093 -28.58018      51.23345 
1 1 1 7   26 34 o 95.10642 30.28703 326.7230       190.2062 394.3740       222.1922 141.1784       367.9727 102.7278 32.73705 85.63319 37.71326 17.09461       49.94001 
1 1 1 7   26 35 o 55.60506 22.66501 60.06786       116.4689 47.95161       122.4858 174.3822       376.2287 55.06085 22.92152 86.53800 38.12201 -31.47715      44.48240 
1 1 1 7   26 36 o 84.10142 24.30767 246.3930       126.6276 220.9965       136.0190 411.4854       346.7978 79.70152 25.63605 99.94888 39.67190 -20.24736      47.23417 
1 1 1 7   26 37 o 98.63055 21.16183 329.2036       118.7426 352.5607       124.3557 87.85606       399.7399 101.9655 21.47468 81.35135 37.24182 20.61413       42.98971 
1 1 1 7   26 38 o 143.9467 14.76604 651.5874       122.8917 650.5107       128.7095 662.6963       413.4250 143.3022 15.56435 113.2605 43.79477 30.04164       46.47828 
1 1 1 7   26 39 o 72.21779 25.36835 180.1480       133.0777 194.4584       140.6069 57.16030       412.2036 74.42638 26.08133 78.78487 36.68037 -4.358490      45.00762 
1 1 1 7   26 40 o 53.24300 23.96850 -13.41926      157.2592 -14.03635      169.3170 -9.543739      424.3181 54.86627 24.76935 75.98792 35.95021 -21.12164      43.65705 
1 1 1 7   26 41 o 56.52653 23.47363 67.20078       128.0051 40.84643       135.3853 289.3450       393.0638 54.69234 23.48737 86.70316 38.54079 -32.01082      45.13368 
1 1 1 7   26 42 o 107.0913 23.26397 409.7701       141.9241 338.0343       149.7540 1042.458       444.7391 94.68616 26.12003 132.2376 46.38177 -37.55146      53.23087 
1 1 1 7   27 0  f 469.3862 10.80067 6496.922       297.3252 0.000000       0.000000 6496.922       297.3252 ?        ?        469.3862 10.80067 0.000000       10.80067 
1 1 1 7   27 1  o 132.4053 9.892060 519.3341       76.25927 497.7975       212.9949 522.5008       81.67351 125.3252 29.47617 132.7144 10.58086 -7.389221      31.31772 
1 1 1 7   27 2  o 199.6864 9.072536 1176.305       105.9721 0.000000       0.000000 1176.305       105.9721 ?        ?        199.6864 9.072536 0.000000       9.072536 
1 1 1 7   27 3  o 211.7807 8.081930 1321.258       100.1969 1130.324       208.5476 1378.559       114.2468 193.8818 18.56738 216.2096 9.029749 -22.32773      20.64664 
1 1 1 7   27 4  o 76.48249 14.29668 178.7004       61.77082 53.02053       188.1274 193.8874       65.39656 69.33159 28.59269 79.70244 14.52549 -10.37085      32.07074 
1 1 1 7   27 5  o 147.1081 9.305203 639.7896       79.86964 472.2425       196.7587 672.8441       87.39377 122.2786 28.03617 150.7911 9.937612 -28.51244      29.74530 
1 1 1 7   27 6  o 246.9296 7.278869 1794.228       105.2963 2040.180       229.8334 1728.891       118.4597 261.8938 15.02672 242.2539 8.350242 19.63991       17.19096 
1 1 1 7   27 7  o 37.90071 15.18439 20.67295       51.27636 -123.5412      182.8421 32.98311       53.42003 54.55253 25.05285 40.93808 15.76565 13.61445       29.60069 
1 1 1 7   27 8  o 188.9316 8.112688 1052.084       89.68228 1022.188       215.6531 1058.335       98.61405 183.7580 20.35128 189.3948 8.903024 -5.636780      22.21347 
1 1 1 7   27 9  o 151.9223 10.36816 683.5707       91.82547 963.4503       222.5723 626.1608       100.8043 177.9257 21.78340 145.1277 11.94921 32.79796       24.84553 
1 1 1 7   27 10 o 170.4194 20.36256 880.8510       199.4949 923.5157       234.9912 770.7544       377.4885 173.5713 23.70330 153.0075 41.16924 20.56378       47.50529 
1 1 1 7   27 11 o 107.9115 28.15914 367.8804       180.0678 589.1512       210.5548 -234.5740      347.4283 137.0516 27.15610 74.10126 34.21211 62.95030       43.67977 
1 1 1 7   27 12 o 372.4598 11.38583 4097.934       248.4187 4118.815       305.9863 4057.558       425.4844 372.7067 14.02360 367.9175 19.79175 4.789154       24.25644 
1 1 1 7   27 13 o 47.07819 22.59799 -252.5693      180.6711 -181.3921      206.5653 -484.2773      372.6982 55.49005 25.87866 67.83509 32.53394 -12.34504      41.57117 
1 1 1 7   27 14 o 47.04398 22.73180 -293.1960      190.1177 -341.0871      218.4727 -143.7849      385.8877 50.16038 24.26926 83.13790 37.47559 -32.97752      44.64770 
1 1 1 7   27 15 o 248.6465 14.69824 1838.561       213.3814 1595.280       247.0450 2553.225       423.4209 230.6116 18.41902 289.5637 25.18340 -58.95210      31.20038 
1 1 1 7   27 16 o 351.3840 12.06212 3651.572       248.2058 3923.090       316.6166 3218.674       399.7856 363.4328 14.88604 327.0540 20.95307 36.37888       25.70264 
1 1 1 7   27 17 o 122.1625 26.50787 470.0319       184.4488 509.9968       212.6197 348.4790       370.8059 126.6839 29.21417 113.1516 41.98710 13.53235       51.15061 
1 1 1 7   27 18 f 101.4297 28.36698 324.7927       175.3056 350.7754       203.5643 250.2107       344.8867 105.3935 30.92323 103.0625 39.95965 2.330994       50.52742 
1 1 1 7   27 19 o 277.7349 13.75724 2292.885       223.3873 2412.492       267.5999 2017.931       405.7292 284.1975 16.12130 255.3454 27.52749 28.85217       31.90077 
1 1 1 7   27 20 f 66.12016 28.17509 15.15371       192.0870 -0.8921467     221.2227 64.31876       387.2368 69.26140 29.88649 93.43832 39.91546 -24.17693      49.86428 
1 1 1 7   27 21 o 192.4513 19.03065 1123.565       211.9863 1131.198       245.1839 1100.964       421.8985 191.9860 22.18324 180.5869 40.80072 11.39914       46.44131 
1 1 1 7   27 22 f 170.0605 20.80157 887.0711       203.1535 1086.966       230.6581 195.6460       428.9831 188.3039 21.25731 104.1186 43.08066 84.18532       48.03974 
1 1 1 7   27 23 o 160.7310 22.48745 801.1172       206.1849 833.0618       235.1723 694.9695       428.6897 162.7672 25.47041 141.5342 45.51046 21.23302       52.15308 
1 1 1 7   27 24 o 49.49288 23.62295 -233.9111      191.4406 -155.4772      216.9178 -510.2107      407.1301 57.96251 26.85637 69.79143 33.60877 -11.82892      43.02109 
1 1 1 7   27 25 o 107.6668 28.99811 378.4258       187.1708 422.3026       210.2737 211.0211       410.7255 113.2424 30.83630 102.2474 42.21555 10.99499       52.27839 
1 1 1 7   27 26 o 85.29436 30.38891 212.9969       191.5203 273.9247       215.8769 -12.22453      415.0529 93.96448 32.35151 89.19608 39.62913 4.768402       51.15748 
1 1 1 7   27 27 o 120.0484 27.36255 473.9074       188.3472 549.3958       219.5255 263.3253       366.6533 128.3736 29.74180 100.8728 40.53815 27.50086       50.27839 
1 1 1 7   27 28 o 88.82087 28.24744 257.5388       165.4967 262.3944       183.5338 236.4143       382.8165 89.91873 29.83387 98.36050 40.69721 -8.441765      50.46110 
1 1 1 7   27 29 o 190.1475 17.41528 1117.285       192.0556 1219.961       219.8028 785.8801       394.8899 197.6953 19.19921 141.1283 43.45286 56.56703       47.50538 
1 1 1 7   27 30 o 66.49801 27.21456 83.99764       168.7515 106.8414       192.2530 7.322473       352.2225 71.41727 29.11615 80.22154 36.01215 -8.804276      46.31010 
1 1 1 7   27 31 o 77.83070 29.90697 174.5499       191.9338 184.9037       218.7065 139.8562       400.3472 80.75592 31.67400 89.68977 39.42434 -8.933846      50.57194 
1 1 1 7   27 32 f 108.0510 28.67937 412.1382       184.7416 526.8780       207.7585 -21.32910      403.8127 121.9803 29.39080 81.38673 37.32258 40.59352       47.50573 
1 1 1 7   27 33 o 43.79527 21.35365 -270.6032      178.0508 -391.2018      201.5830 157.3554       379.7377 43.32993 21.43689 87.20695 38.36236 -43.87702      43.94555 
1 1 1 7   27 34 o 153.7255 20.95970 774.8099       184.0484 921.9968       212.4898 332.7335       368.2580 166.7631 22.28361 95.75613 39.79379 71.00696       45.60817 
1 1 1 7   27 35 o 61.17633 25.84740 60.81261       159.3409 106.1967       181.7999 -89.58276      330.9475 67.94019 28.07199 69.94825 32.66595 -2.008057      43.07089 
1 1 1 7   27 36 o 149.0544 22.93540 754.1334       194.0763 845.6038       224.2504 481.1876       387.3748 155.6413 25.44578 103.1342 41.59031 52.50704       48.75696 
1 1 1 7   27 37 o 67.35744 25.16058 143.1373       133.5806 171.1435       141.0841 -99.34186      415.1335 71.57196 26.00782 74.19233 35.23441 -2.620369      43.79350 
1 1 1 7   27 38 o 46.86446 21.66516 -66.55555      139.9856 -59.96342      147.8156 -123.8798      435.8894 48.65911 22.41165 73.82325 35.34678 -25.16414      41.85303 
1 1 1 7   27 39 o 60.11002 24.35011 90.98563       133.4589 94.62247       139.5866 52.26988       455.4341 61.14512 24.85383 79.67613 37.55854 -18.53101      45.03728 
1 1 1 7   27 40 f 83.56259 22.43181 247.7387       112.2280 227.5907       116.8647 486.6353       402.4129 79.60496 23.44995 97.73915 41.17398 -18.13419      47.38350 
1 1 1 7   27 41 o 45.17598 21.00491 -70.32689      134.4690 -104.7825      141.9740 229.9704       419.1354 44.27307 20.90038 83.70528 38.24951 -39.43221      43.58728 
1 1 1 7   28 0  o 485.0852 11.18305 6943.931       318.1477 0.000000       0.000000 6943.931       318.1477 ?        ?        485.0852 11.18305 0.000000       11.18305 
1 1 1 7   28 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   28 2  o 477.1641 11.17886 6718.890       312.8353 6895.263       419.1103 6496.991       470.0988 482.0103 14.84361 466.9140 17.19667 15.09628       22.71691 
1 1 1 7   28 3  o 521.0754 11.76450 8017.796       359.5213 0.000000       0.000000 8017.796       359.5213 ?        ?        521.0754 11.76450 0.000000       11.76450 
1 1 1 7   28 4  o 397.7851 10.12745 4667.093       236.0727 0.000000       0.000000 4667.093       236.0727 ?        ?        397.7851 10.12745 0.000000       10.12745 
1 1 1 7   28 5  o 225.8483 8.199203 1502.792       108.4221 1749.094       234.2062 1435.609       122.3183 241.9967 16.60266 220.5594 9.478292 21.43727       19.11770 
1 1 1 7   28 6  o 117.1886 10.71380 408.3664       72.82046 277.3058       208.7533 426.5241       77.70133 96.34011 31.81214 119.7120 11.19719 -23.37186      33.72520 
1 1 1 7   28 7  o 348.6957 7.946093 3576.803       162.4990 3711.407       296.3453 3518.929       194.3179 353.6567 14.31741 345.4799 9.599770 8.176788       17.23786 
1 1 1 7   28 8  o 102.7050 12.66851 316.4100       74.69206 284.5687       220.0212 320.5575       79.40773 97.86771 32.67035 103.2444 13.43248 -5.376694      35.32397 
1 1 1 7   28 9  o 314.6911 9.020123 2918.133       166.3026 2757.093       269.8873 3016.707       211.1524 304.5212 15.15940 319.5307 11.28536 -15.00952      18.89885 
1 1 1 7   28 10 o 322.5633 12.99677 3081.510       245.3640 3453.213       306.5649 2419.024       409.2726 340.8335 15.37621 281.8655 25.01787 58.96796       29.36532 
1 1 1 7   28 11 o ?        ?        -805.8544      197.1632 -584.0262      228.7357 -1447.141      388.9122 43.99627 21.94354 ?        ?        0.000000       21.94354 
1 1 1 7   28 12 o 250.8219 14.86378 1871.260       217.6674 1882.122       259.4030 1845.412       400.1510 250.8021 17.75041 244.5870 28.42475 6.215118       33.51183 
1 1 1 7   28 13 o 217.4089 16.69189 1413.330       211.2024 1356.487       244.3969 1580.989       419.7294 212.1098 19.87807 224.2012 32.89954 -12.09142      38.43849 
1 1 1 7   28 14 o 59.29021 26.67308 -83.18759      194.3868 -161.0259      222.3264 169.4337       400.5248 59.29858 27.37430 102.3137 41.90582 -43.01509      50.05447 
1 1 1 7   28 15 o 203.2150 18.33438 1242.041       216.1629 1329.010       255.4685 1022.825       405.5927 209.4438 21.08451 176.3097 40.12960 33.13405       45.33147 
1 1 1 7   28 16 o 233.9118 15.05044 1631.273       205.3719 1661.055       247.7811 1565.909       367.0768 235.1925 18.10283 224.4746 28.52639 10.71791       33.78561 
1 1 1 7   28 17 o 295.8025 13.05084 2596.603       225.8502 2649.109       267.9762 2467.860       419.6181 298.1017 15.37985 283.6754 25.49378 14.42630       29.77369 
1 1 1 7   28 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   28 19 o 85.09901 30.29146 202.1828       190.2524 320.6059       218.4566 -169.6681      387.1075 101.2934 32.47990 80.92448 36.89462 20.36890       49.15442 
1 1 1 7   28 20 o 160.8980 22.53898 800.6695       206.8586 828.7449       239.9051 719.2984       408.4242 162.3912 26.07204 144.7258 44.12192 17.66539       51.24934 
1 1 1 7   28 21 o 191.3294 18.37685 1110.766       203.6742 1228.051       234.0977 745.4591       413.1470 200.5923 20.17266 146.5215 44.31619 54.07083       48.69149 
1 1 1 7   28 22 f 117.6204 29.50270 450.3235       203.1367 559.9023       231.0968 77.89635       426.0410 130.8972 30.64673 96.37614 41.52992 34.52111       51.61353 
1 1 1 7   28 23 o 236.3508 16.11355 1681.863       222.0208 1889.747       259.2276 1109.569       430.1098 249.8911 17.80469 178.6577 41.79665 71.23331       45.43090 
1 1 1 7   28 24 o 231.8906 16.26211 1623.337       219.7599 1629.681       253.4883 1604.142       440.9243 231.2180 18.85690 219.4415 35.47003 11.77641       40.17095 
1 1 1 7   28 25 o 124.0636 28.37831 505.6853       201.9884 555.8743       229.4821 333.0707       425.5821 129.1847 30.73722 109.8757 43.83759 19.30905       53.53981 
1 1 1 7   28 26 o 263.8438 13.55546 2090.796       209.0515 2092.232       236.8571 2085.738       444.6825 263.0247 15.42230 251.7578 30.75507 11.26683       34.40526 
1 1 1 7   28 27 o 160.4728 19.02121 801.7968       175.5379 897.1522       201.2231 498.1709       359.0661 168.9643 20.74095 117.3984 41.63195 51.56594       46.51243 
1 1 1 7   28 28 o 135.4109 21.50675 587.3404       165.0926 699.9846       182.7209 86.60503       385.2457 147.9377 21.70523 87.87979 38.64962 60.05788       44.32731 
1 1 1 7   28 29 o 67.55778 27.24497 97.57861       166.2431 18.01138       184.7398 436.2978       381.1652 62.54300 27.14861 109.0611 42.08335 -46.51812      50.08049 
1 1 1 7   28 30 o 57.59681 25.48087 -12.38211      169.7947 61.47504       191.2600 -287.1280      368.8871 66.66861 28.25001 68.59594 32.75484 -1.927330      43.25439 
1 1 1 7   28 31 o 90.51382 29.84015 285.9389       183.6997 188.8720       206.8361 648.4575       399.7202 79.83440 30.94768 123.0180 43.89422 -43.18360      53.70718 
1 1 1 7   28 32 o 65.00399 27.60798 62.58335       183.3773 63.99395       211.0368 58.23528       370.5144 68.21202 29.30929 81.46962 36.72273 -13.25760      46.98503 
1 1 1 7   28 33 o 49.27548 23.74490 -233.0192      204.0231 -365.5800      235.6547 163.7314       407.6877 48.92212 24.00295 87.47063 39.04288 -38.54851      45.83109 
1 1 1 7   28 34 o 138.3735 23.34575 649.0329       182.7224 589.6123       204.8447 880.4223       404.2296 127.9617 28.06937 136.5047 44.21925 -8.542999      52.37587 
1 1 1 7   28 35 o 70.80839 28.62566 138.6714       184.0168 4.331789       216.6244 486.8837       348.7606 63.04488 28.27635 104.4663 40.26945 -41.42143      49.20550 
1 1 1 7   28 36 o 55.92980 25.19138 -16.86995      173.9776 -19.18375      192.4531 -6.525102      406.9342 58.19558 26.32699 77.03894 36.05717 -18.84336      44.64560 
1 1 1 7   28 37 o 55.61583 25.08214 -15.24014      173.1079 -38.05046      188.7650 105.4017       434.1150 56.14061 25.65952 81.68743 37.89880 -25.54682      45.76823 
1 1 1 7   28 38 o 84.41309 32.24424 275.6738       222.2192 411.8329       253.1647 -181.3808      463.8354 97.77721 34.92764 73.06876 35.35531 24.70844       49.69847 
1 1 1 7   28 39 o 45.91811 21.44119 -82.14853      142.5107 -119.7155      151.8577 195.1457       412.5763 45.22748 21.42963 82.79842 37.87820 -37.57094      43.51996 
1 1 1 7   28 40 o 95.93073 27.00801 350.4685       158.3560 359.3130       170.3308 294.1188       429.9341 96.03178 28.31613 86.95168 39.34139 9.080109       48.47214 
1 1 1 7   29 0  o 234.4392 10.20747 1623.268       140.0092 0.000000       0.000000 1623.268       140.0092 ?        ?        234.4392 10.20747 0.000000       10.20747 
1 1 1 7   29 1  o 434.5117 11.30222 5576.045       287.7708 5203.974       383.8268 6053.669       434.8759 418.3768 15.67059 450.9667 16.47026 -32.58994      22.73405 
1 1 1 7   29 2  o 507.4057 11.86819 7603.768       353.1754 0.000000       0.000000 7603.768       353.1754 ?        ?        507.4057 11.86819 0.000000       11.86819 
1 1 1 7   29 3  o 316.4036 8.195080 2947.592       151.9426 3439.352       303.2256 2782.719       175.5756 340.1488 15.23879 307.1589 9.758927 32.98996       18.09578 
1 1 1 7   29 4  o 309.0680 8.254122 2812.725       149.4812 2913.413       276.9144 2771.320       177.5760 313.0457 15.12777 306.5066 9.891520 6.539093       18.07461 
1 1 1 7   29 5  o 224.9512 8.561079 1491.475       112.7390 1661.937       244.0359 1445.223       127.1169 235.5583 17.79628 221.2514 9.820879 14.30685       20.32627 
1 1 1 7   29 6  o 104.9211 12.63436 329.9657       76.18114 7.013218       233.6326 368.3883       80.58556 72.13579 30.91403 110.9471 12.60821 -38.81136      33.38629 
1 1 1 7   29 7  o 30.58325 15.48746 -485.3905      138.8151 -160.5704      219.2065 -702.8596      179.3621 58.82730 27.16558 ?        ?        0.000000       27.16558 
1 1 1 7   29 8  o 337.5783 9.366117 3358.866       185.2528 3461.647       321.2185 3307.644       226.7635 341.0205 16.10640 334.5420 11.57516 6.478485       19.83433 
1 1 1 7   29 9  o 339.7357 9.421396 3402.101       187.5372 3462.148       322.8567 3371.523       230.3904 341.0203 16.18903 337.7446 11.64866 3.275726       19.94432 
1 1 1 7   29 10 o 347.5243 14.13580 3582.967       287.5072 0.000000       0.000000 3582.967       287.5072 ?        ?        347.5243 14.13580 0.000000       14.13580 
1 1 1 7   29 11 o 305.5826 13.77574 2770.323       246.2499 2777.634       288.7301 2750.817       471.6353 305.3188 16.18236 299.5992 27.13599 5.719635       31.59479 
1 1 1 7   29 12 o 133.9993 27.02103 564.3798       205.0131 635.3441       233.3024 323.8359       429.5330 141.7588 29.03943 115.0628 44.59946 26.69598       53.22030 
1 1 1 7   29 13 o 110.7603 29.14075 389.8105       191.8096 426.4483       220.0708 274.0106       391.2478 115.5597 31.57905 108.5722 42.42875 6.987450       52.89079 
1 1 1 7   29 14 o 75.76025 29.76180 113.1687       193.3588 268.9542       219.9184 -417.4619      405.8767 95.66042 32.66179 73.87670 35.01302 21.78372       47.88218 
1 1 1 7   29 15 o 129.0758 27.55608 528.2108       202.2499 302.7732       235.1799 1168.394       396.3137 100.3183 33.78065 189.3799 37.00982 -89.06169      50.10848 
1 1 1 7   29 16 o 131.7143 27.69957 551.0471       207.1752 555.4757       244.4972 539.7712       390.1370 130.9990 32.08344 129.4424 43.50829 1.556625       54.05847 
1 1 1 7   29 17 o 163.6631 22.21433 824.8431       207.7239 806.1458       241.7156 877.6518       406.2271 160.1462 26.67354 160.4918 42.49494 -0.3456116     50.17268 
1 1 1 7   29 18 o 228.7923 16.08878 1571.076       214.5050 1627.818       257.7224 1443.148       386.9764 231.8250 19.12576 212.2085 32.09513 19.61647       37.36164 
1 1 1 7   29 19 o 190.8165 18.58842 1105.354       205.3880 1024.027       236.3416 1356.261       415.1270 182.1212 22.61288 202.9045 36.21368 -20.78333      42.69394 
1 1 1 7   29 20 o 81.00325 30.21064 169.5865       192.4354 288.6620       220.1811 -215.5817      395.9991 96.87199 32.68585 79.22816 36.55997 17.64383       49.04076 
1 1 1 7   29 21 o 156.1180 23.23347 760.9434       206.2521 867.1136       235.8643 415.9639       425.1649 166.1015 24.98560 117.9462 44.70764 48.15531       51.21575 
1 1 1 7   29 22 o 88.10843 31.48349 224.9839       205.7142 226.1401       235.2032 221.2210       424.3257 90.33206 33.45461 103.9154 42.90696 -13.58337      54.40789 
1 1 1 7   29 23 o 200.4451 18.67504 1227.918       217.0109 1015.174       245.7013 1982.615       462.7705 179.7854 23.89349 245.7687 32.93442 -65.98325      40.68876 
1 1 1 7   29 24 o 63.23819 27.77154 -18.24878      198.2406 -75.27706      224.1191 186.7982       424.9721 63.23119 28.52594 100.1223 42.25238 -36.89116      50.98032 
1 1 1 7   29 25 o 145.9996 23.39260 680.5932       193.5391 556.1355       217.5753 1152.364       423.6079 128.7745 29.45077 177.5406 41.44141 -48.76610      50.84032 
1 1 1 7   29 26 o 201.0555 16.71533 1239.880       195.3165 1407.553       220.6733 633.4710       419.6630 213.7012 17.76786 128.0528 45.04403 85.64848       48.42170 
1 1 1 7   29 27 o 237.2821 14.08275 1709.137       195.0945 1885.222       225.0624 1176.853       391.3039 248.3438 15.53025 178.1075 38.57924 70.23633       41.58782 
1 1 1 7   29 28 o 79.25885 29.38369 190.3466       181.5288 159.2190       203.1451 313.7036       404.4035 77.41490 30.47715 100.7648 41.77293 -23.34990      51.70913 
1 1 1 7   29 29 o 169.3142 19.46354 909.9506       189.7593 763.8603       211.1109 1524.553       433.0091 151.6630 24.57477 200.7671 38.16982 -49.10416      45.39664 
1 1 1 7   29 30 o 171.8544 20.16043 946.4828       199.3351 1055.162       234.3134 661.7899       379.2390 179.5465 22.76290 124.7828 42.88245 54.76366       48.54950 
1 1 1 7   29 31 f 71.32964 28.30901 135.6013       176.5679 278.7741       196.3218 -470.3679      403.8903 88.77586 30.83753 65.14583 31.84962 23.63004       44.33229 
1 1 1 7   29 32 o 85.08320 30.11271 255.5796       187.7753 293.9424       216.2485 137.9964       378.5913 89.82028 32.25776 84.63315 37.71004 5.187134       49.62469 
1 1 1 7   29 33 o 168.8602 19.18812 922.5038       186.6589 1015.531       206.4926 506.8394       436.4872 176.2482 20.35025 105.8891 43.59903 70.35914       48.11453 
1 1 1 7   29 34 o 84.76482 28.93707 261.7307       172.6187 294.6393       190.0565 106.6786       412.5403 88.78977 30.36223 82.93894 37.91755 5.850830       48.57577 
1 1 1 7   29 35 o 127.3536 27.89039 595.5606       202.5314 643.8917       238.5560 470.7971       383.2842 128.4886 31.82455 100.9682 41.13080 27.52047       52.00523 
1 1 1 7   29 36 o 119.1550 27.43615 525.2900       187.7632 528.7485       207.6663 509.7976       439.5232 116.9134 30.10584 100.9276 42.79841 15.98580       52.32653 
1 1 1 7   29 37 o 69.19890 28.53512 133.6294       187.3457 207.8466       207.2005 -198.9008      438.5850 77.38465 30.68112 71.17405 34.42426 6.210602       46.11248 
1 1 1 7   29 38 o 67.19430 30.11914 55.80848       245.3724 -30.37802      288.4588 281.4122       466.6994 66.03670 30.72469 87.55951 40.14227 -21.52281      50.55105 
1 1 1 7   29 39 o 87.79931 32.91457 319.3975       229.0236 414.0516       273.4276 96.87006       419.2418 95.67310 35.94356 78.58753 36.72205 17.08557       51.38530 
1 1 1 7   30 0  f 635.2718 17.69020 12030.20       658.4457 0.000000       0.000000 12030.20       658.4457 ?        ?        635.2718 17.69020 0.000000       17.69020 
1 1 1 7   30 1  o 260.7251 9.482007 2005.012       144.7470 2502.294       324.1694 1881.175       161.7691 288.8267 19.24728 252.2850 10.95951 36.54172       22.14878 
1 1 1 7   30 2  o 231.2154 10.54156 1579.659       142.5699 0.000000       0.000000 1579.659       142.5699 ?        ?        231.2154 10.54156 0.000000       10.54156 
1 1 1 7   30 3  o 278.7535 10.53243 2294.493       171.8769 0.000000       0.000000 2294.493       171.8769 ?        ?        278.7535 10.53243 0.000000       10.53243 
1 1 1 7   30 4  o 153.0427 11.73302 695.5487       104.5077 0.000000       0.000000 695.5487       104.5077 ?        ?        153.0427 11.73302 0.000000       11.73302 
1 1 1 7   30 5  o 340.7497 16.52377 3459.598       329.2293 0.000000       0.000000 3459.598       329.2293 ?        ?        340.7497 16.52377 0.000000       16.52377 
1 1 1 7   30 6  o 368.0415 10.92601 3999.706       235.5743 3809.343       327.0682 4204.922       339.5892 357.8742 15.62086 376.0930 15.42877 -18.21884      21.95582 
1 1 1 7   30 7  o 171.5369 9.637315 869.6666       96.56377 797.8577       259.7358 881.1838       104.0197 159.4099 28.84371 172.5734 10.32480 -13.16353      30.63594 
1 1 1 7   30 8  o 102.4008 13.79644 315.9483       80.74934 278.7775       249.9284 320.2807       85.32549 98.94060 34.76461 102.9652 14.53356 -4.024590      37.68026 
1 1 1 7   30 9  o 205.0822 18.28342 1264.623       217.6020 1450.869       257.4525 798.7852       407.1659 219.1822 20.25727 154.9011 43.19870 64.28113       47.71252 
1 1 1 7   30 10 o 44.84533 17.70528 34.08239       68.73302 -59.11705      219.6082 44.20330       72.36886 65.08254 28.87589 47.42472 18.32709 17.65782       34.20086 
1 1 1 7   30 11 o 219.3893 17.11360 1443.120       218.4540 1647.128       248.9129 759.2153       455.7444 234.1206 18.27295 150.4356 46.74305 83.68497       50.18778 
1 1 1 7   30 12 o 322.3927 13.30965 3084.801       251.1120 3154.048       292.0030 2888.189       492.0336 325.3590 15.34615 305.8820 27.72870 19.47702       31.69203 
1 1 1 7   30 13 o 74.38051 30.09039 87.63795       203.4870 107.3936       228.5530 12.10152       446.9095 79.36688 31.96725 96.50691 42.05462 -17.14003      52.82515 
1 1 1 7   30 14 o 153.2924 23.55952 728.2475       205.0374 843.1658       236.5507 381.0758       411.1515 164.5340 25.32523 116.8599 44.03866 47.67416       50.80129 
1 1 1 7   30 15 o 119.7216 30.77895 464.0876       217.2967 339.2268       250.9523 838.1972       434.3877 104.6576 34.89027 155.8699 45.01239 -51.21225      56.95126 
1 1 1 7   30 16 o 138.3711 29.93159 617.9761       235.8247 581.1720       276.6215 715.8801       451.1678 132.5311 35.05522 144.2075 46.71621 -11.67642      58.40610 
1 1 1 7   30 17 o 84.06030 31.62702 179.3959       211.8665 287.8539       249.3117 -102.5213      401.9507 98.47858 34.71178 85.16753 38.33150 13.31105       51.71278 
1 1 1 7   30 18 o 137.1427 25.46395 595.9489       197.2709 704.9101       236.1227 344.1203       358.9668 148.3363 28.17175 109.5547 41.17852 38.78166       49.89306 
1 1 1 7   30 19 o 244.0611 14.31926 1782.401       204.0598 1718.374       235.0054 1978.625       411.4067 238.6871 16.89721 250.0877 28.56122 -11.40063      33.18522 
1 1 1 7   30 20 o 290.0119 13.75596 2512.731       233.3015 2730.375       276.7923 1978.739       433.5589 301.5024 15.70771 248.4874 30.38158 53.01505       34.20194 
1 1 1 7   30 21 o 422.3790 12.40623 5312.655       306.9884 5480.397       381.8153 5005.942       516.2961 427.3358 15.25918 403.5334 21.89773 23.80237       26.68995 
1 1 1 7   30 22 o 109.2576 30.99317 397.0368       207.7317 489.1569       235.4417 73.33203       441.3476 120.5007 32.55272 95.48158 41.69661 25.01908       52.89884 
1 1 1 7   30 23 o 119.1044 28.88715 472.1028       199.6840 541.1301       226.7183 233.3359       421.6606 126.7909 30.79864 102.0390 42.50750 24.75196       52.49232 
1 1 1 7   30 24 o 66.27819 27.95023 48.63112       185.7529 -98.82496      207.7838 635.4661       414.5132 58.68554 26.85985 129.4724 44.81777 -70.78682      52.25021 
1 1 1 7   30 25 o 66.02142 27.83872 53.03365       184.2392 118.8998       206.5584 -203.2943      407.4831 74.69057 30.28002 77.07050 36.07502 -2.379921      47.09869 
1 1 1 7   30 26 o 131.5104 25.13291 573.8124       186.7799 610.9865       211.1848 440.2823       400.2506 134.1783 27.75321 110.1696 42.95414 24.00861       51.13999 
1 1 1 7   30 27 o 73.11314 28.54933 140.8515       177.0292 167.1684       200.3965 47.33578       377.7595 77.84234 30.38117 83.71780 37.45992 -5.875458      48.23133 
1 1 1 7   30 28 o 67.50113 27.93212 86.32636       180.3583 106.6898       199.9768 -2.448744      417.5415 71.48956 29.48070 83.51515 38.16797 -12.02560      48.22765 
1 1 1 7   30 29 o 77.66260 30.10258 177.3487       195.6784 203.5132       218.3679 70.70763       440.8539 81.72858 31.76629 87.26524 39.62411 -5.536659      50.78550 
1 1 1 7   30 30 o 121.9919 25.92432 515.1646       179.7522 541.1245       202.4988 418.6966       390.3584 123.1058 28.59565 102.9839 41.67119 20.12188       50.53909 
1 1 1 7   30 31 o 108.2531 29.69925 432.6017       194.2095 579.3510       218.3619 -122.8634      424.8320 125.4830 30.06577 76.39394 36.09120 49.08909       46.97366 
1 1 1 7   30 32 o 94.33385 28.66925 326.9881       172.6199 288.3631       189.3255 517.3351       420.2891 88.58305 30.30345 106.5153 43.18867 -17.93221      52.75945 
1 1 1 7   30 33 o 91.20611 28.87902 309.4582       173.1430 459.7505       182.9826 -976.3259      535.2114 111.8805 27.96584 63.63054 31.99568 48.24992       42.49484 
1 1 1 7   30 34 o 62.07191 27.40793 31.18594       195.5426 67.26945       213.2015 -159.9647      490.7087 66.55443 29.02384 76.62695 36.89975 -10.07253      46.94651 
1 1 1 7   30 35 o 212.4038 16.37584 1438.338       202.4196 1535.390       229.3125 1095.839       430.7790 217.5437 18.13832 145.0400 45.50245 72.50369       48.98441 
1 1 1 7   30 36 o 65.45375 27.81056 93.54107       186.2107 59.03265       206.9958 239.9482       426.3636 64.58855 28.37093 86.19207 39.06964 -21.60352      48.28402 
1 1 1 7   30 37 o 126.9879 32.33691 658.3108       241.4393 741.4567       284.2503 442.9473       457.4740 129.9502 36.03939 94.53875 41.82443 35.41146       55.20979 
1 1 1 7   30 38 o 85.40309 32.73707 296.0645       229.5966 379.4592       276.7458 111.9236       411.2321 92.36057 35.79929 78.84412 36.68406 13.51645       51.25729 
1 1 1 7   31 0  o 177.7004 20.17374 957.1750       206.5285 1103.442       273.5018 763.1151       315.0321 189.3158 25.26334 153.4384 35.68464 35.87743       43.72219 
1 1 1 7   31 1  o 212.3260 10.21546 1332.322       126.8340 731.0499       285.7365 1479.864       141.5425 150.9115 33.18897 223.6966 10.82100 -72.78503      34.90847 
1 1 1 7   31 2  o 235.2944 11.06605 1637.582       152.2777 0.000000       0.000000 1637.582       152.2777 ?        ?        235.2944 11.06605 0.000000       11.06605 
1 1 1 7   31 3  o 53.17992 19.15639 71.53024       76.32869 -342.4541      242.8736 116.8995       80.40248 54.12583 26.03767 62.72318 19.65532 -8.597351      32.62349 
1 1 1 7   31 4  o 159.9007 11.58306 759.0577       107.8873 637.3397       247.1108 787.7230       119.9203 141.4054 30.68079 162.7158 12.66615 -21.31035      33.19250 
1 1 1 7   31 5  o 358.8340 10.52286 3801.877       221.2120 0.000000       0.000000 3801.877       221.2120 ?        ?        358.8340 10.52286 0.000000       10.52286 
1 1 1 7   31 6  o 225.6225 10.54343 1505.186       139.1272 0.000000       0.000000 1505.186       139.1272 ?        ?        225.6225 10.54343 0.000000       10.54343 
1 1 1 7   31 7  o 164.2369 10.17292 798.6319       97.50563 640.4408       242.0086 829.2872       106.5352 141.7812 30.03973 167.2508 10.92085 -25.46956      31.96326 
1 1 1 7   31 8  o 157.5392 10.36528 735.4686       95.23589 1041.116       239.8326 678.2509       103.7679 184.4162 22.64987 151.0177 11.81000 33.39848       25.54394 
1 1 1 7   31 9  o 267.6996 9.447482 2115.325       148.0925 1893.762       255.0915 2227.962       181.8811 251.2709 17.41805 274.3533 11.32823 -23.08241      20.77781 
1 1 1 7   31 10 o 173.7938 10.33297 894.6481       104.8444 718.3640       234.6792 938.6066       117.1896 150.9638 27.52008 177.8572 11.29317 -26.89336      29.74711 
1 1 1 7   31 11 f 262.5472 15.25343 2058.173       233.8575 2045.125       266.6225 2101.688       486.9113 260.9688 17.52192 257.1817 33.04461 3.787140       37.40273 
1 1 1 7   31 12 o 88.27973 31.39738 219.3783       204.3581 188.0745       224.6537 369.5230       492.0053 86.53384 32.56535 120.0660 47.38036 -33.53217      57.49261 
1 1 1 7   31 13 o 166.3838 22.85818 855.8632       217.1613 763.2647       241.1931 1252.308       499.0616 155.2258 27.50071 189.8933 45.42343 -34.66754      53.09969 
1 1 1 7   31 14 o 93.97835 31.78569 267.3174       208.2230 343.0081       235.7020 -1.706036      444.3622 104.2252 33.76621 94.42004 41.51823 9.805206       53.51561 
1 1 1 7   31 15 o 186.2657 21.75020 1067.333       233.1330 1034.917       266.8046 1171.993       479.4104 181.7189 25.75552 182.8381 45.01420 -1.119186      51.86160 
1 1 1 7   31 16 o 128.4318 31.76453 542.0649       237.9113 469.0333       277.6221 743.9833       461.6217 119.0495 36.39312 145.3742 47.26657 -26.32468      59.65390 
1 1 1 7   31 17 o 236.8513 17.57599 1696.197       242.4042 1902.306       297.5059 1289.105       418.1117 249.5768 20.50619 195.9107 37.75916 53.66611       42.96810 
1 1 1 7   31 18 o 160.5166 22.53226 802.2326       206.2844 760.1310       253.4453 884.8643       355.0656 153.2696 29.26236 160.9570 38.19199 -7.687378      48.11354 
1 1 1 7   31 19 o 159.4842 23.62077 798.9451       214.2636 907.2666       250.4503 503.2274       413.8119 168.9645 26.11534 123.1987 44.57367 45.76584       51.66065 
1 1 1 7   31 20 o 253.0476 15.50829 1930.356       229.0476 1988.504       266.7985 1767.385       446.6550 255.6972 17.90442 230.6700 34.03791 25.02715       38.45968 
1 1 1 7   31 21 o 75.74448 30.01966 125.0382       198.2934 275.8845       225.4120 -391.1635      416.9840 94.11211 33.01962 73.38686 34.98207 20.72525       48.10448 
1 1 1 7   31 22 o 111.7621 28.98756 419.4358       191.5899 474.2636       216.2828 219.6111       412.9012 118.0930 30.88335 99.72788 41.84076 18.36511       52.00414 
1 1 1 7   31 23 o 129.9841 25.38359 554.8176       186.5609 760.9775       208.0600 -290.9363      421.4136 153.6247 23.86719 75.64468 35.79946 77.98003       43.02608 
1 1 1 7   31 24 o 177.4919 18.97143 985.6052       194.4238 976.5089       218.9766 1019.481       422.5825 174.9526 21.81419 160.2834 43.74286 14.66922       48.88043 
1 1 1 7   31 25 o 49.35645 23.17955 -140.0412      170.6269 -133.5299      188.5589 -169.4729      400.8851 52.78669 24.65328 76.53692 35.81116 -23.75023      43.47670 
1 1 1 7   31 26 o 84.31555 29.41085 235.3132       178.6740 217.3293       197.8570 314.7991       415.9622 82.91892 30.68849 100.3086 42.03411 -17.38971      52.04469 
1 1 1 7   31 27 o 163.9302 20.02510 859.4274       188.5319 852.9347       217.6943 878.9080       377.0821 160.6615 23.82462 146.1253 41.85796 14.53618       48.16328 
1 1 1 7   31 28 o 59.51612 26.89046 -39.57095      200.0336 180.5499       224.7155 -879.7213      439.0166 79.66212 31.83069 59.73209 29.88422 19.93004       43.66073 
1 1 1 7   31 29 o 136.3030 24.51832 631.8446       188.7901 762.1641       208.5670 40.78566       444.1771 149.9171 24.57212 84.46873 38.88511 65.44837       45.99827 
1 1 1 7   31 30 o 126.5140 26.83890 565.5131       192.9610 392.8324       219.0363 1164.008       407.7784 101.2365 32.52896 163.6161 42.21551 -62.37959      53.29430 
1 1 1 7   31 31 o 45.09263 21.81183 -221.2146      176.1907 -123.8655      190.8666 -782.2099      458.1880 52.19918 24.51498 61.63470 30.78975 -9.435513      39.35725 
1 1 1 7   31 32 o 76.04456 28.98085 192.0155       179.2497 285.7952       194.1558 -349.3392      466.4842 87.38867 30.64614 70.84998 34.54906 16.53869       46.18250 
1 1 1 7   31 33 o 86.55173 31.16229 284.6017       201.9561 308.1933       219.2382 152.4134       518.9609 89.04173 32.41117 87.26769 40.80373 1.774040       52.10978 
1 1 1 7   31 34 o 86.39516 29.96955 286.2702       185.3957 232.1826       206.6995 508.8305       419.2897 80.16793 30.97525 100.9910 42.25282 -20.82311      52.39052 
1 1 1 7   31 35 o 103.9787 29.20659 419.5556       185.4096 433.7865       206.9354 361.6303       417.4971 103.6724 31.36531 91.77808 40.30379 11.89429       51.07032 
1 1 1 7   31 36 o 53.17729 25.49832 -181.2995      228.6480 -95.92930      271.6245 -388.8883      423.5627 61.50890 28.99800 64.51743 31.75863 -3.008526      43.00575 
1 1 1 7   31 37 o 111.7062 33.66871 535.4890       238.7656 669.6510       281.9662 195.4972       448.8659 121.5651 36.57646 83.21507 38.58327 38.35005       53.16490 
1 1 1 7   32 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   32 1  o 312.3027 11.17185 2885.051       204.2918 0.000000       0.000000 2885.051       204.2918 ?        ?        312.3027 11.17185 0.000000       11.17185 
1 1 1 7   32 2  o 399.4304 11.57696 4720.119       270.9117 0.000000       0.000000 4720.119       270.9117 ?        ?        399.4304 11.57696 0.000000       11.57696 
1 1 1 7   32 3  o 192.3265 10.35488 1094.838       116.3672 1063.148       255.0665 1103.168       130.7694 185.8281 23.96120 192.8287 11.61724 -7.000565      26.62892 
1 1 1 7   32 4  o 279.1542 10.40942 2303.459       170.1217 0.000000       0.000000 2303.459       170.1217 ?        ?        279.1542 10.40942 0.000000       10.40942 
1 1 1 7   32 5  f 236.3338 9.288257 1649.143       128.4884 2173.580       286.1217 1516.668       143.8040 268.8999 18.25117 226.3375 10.86511 42.56242       21.24043 
1 1 1 7   32 6  o 92.57888 16.19652 262.5777       84.73840 625.8305       254.7436 217.3827       89.85538 139.1695 31.89522 83.58099 18.78909 55.58851       37.01803 
1 1 1 7   32 7  o 25.22053 12.42563 -139.1809      65.31178 -273.6195      231.7391 -127.5811      68.07115 54.95758 26.16387 26.80803 13.09972 28.14956       29.26006 
1 1 1 7   32 8  o 41.53678 17.14728 15.99835       67.75156 -18.19055      227.9616 19.31091       70.95791 68.87280 30.02366 42.88288 17.60950 25.98992       34.80682 
1 1 1 7   32 9  o 76.99297 16.94302 183.9841       74.42602 528.7306       229.5963 143.5045       78.67426 127.6762 30.98100 68.09191 18.98879 59.58430       36.33727 
1 1 1 7   32 10 o 203.8463 9.897931 1230.008       117.9771 1138.584       248.1862 1256.698       134.0965 192.4135 22.41245 205.7939 11.15219 -13.38045      25.03376 
1 1 1 7   32 11 o 97.68291 13.68460 288.9943       76.24964 158.3655       229.0860 305.2688       80.86009 83.64799 32.52975 100.3436 14.13112 -16.69556      35.46650 
1 1 1 7   32 12 o 221.7705 18.04616 1487.568       232.6871 1588.461       262.8619 1122.248       500.1899 228.5143 19.80937 177.5431 47.22100 50.97115       51.20776 
1 1 1 7   32 13 o 58.41739 27.01423 -151.5869      217.8860 -233.6622      241.6457 205.2883       503.8845 58.05027 27.36240 109.4729 46.09284 -51.42264      53.60271 
1 1 1 7   32 14 o 265.1163 16.12658 2112.687       249.5572 2309.103       295.4032 1623.078       466.3932 276.2369 18.33786 220.8183 37.34359 55.41862       41.60313 
1 1 1 7   32 15 o 170.4196 23.83812 907.4186       231.7464 884.0724       264.9476 983.4514       478.1366 166.2326 28.18212 164.9628 47.09576 1.269821       54.88390 
1 1 1 7   32 16 o 277.9964 16.15930 2326.237       262.3229 2437.657       312.4034 2059.851       483.0447 283.2632 18.91343 251.1175 33.64471 32.14565       38.59644 
1 1 1 7   32 17 o 104.8343 33.27554 358.6446       229.7518 315.6725       277.0513 453.2700       411.1223 101.6578 36.51179 119.0330 44.20300 -17.37519      57.33251 
1 1 1 7   32 18 o 307.9301 14.43659 2845.487       259.9899 2948.853       317.4850 2635.047       452.9995 311.8727 17.42714 288.1500 27.12486 23.72275       32.24071 
1 1 1 7   32 19 o 68.39240 28.96987 41.85661       201.0088 205.0681       231.1352 -464.6733      407.1864 86.88612 32.95693 70.03631 33.69724 16.84981       47.13453 
1 1 1 7   32 20 o 248.9906 15.08511 1875.168       219.2501 2019.257       257.9267 1499.865       416.2673 257.2555 17.19419 209.1337 35.18689 48.12178       39.16321 
1 1 1 7   32 21 o 64.62935 27.54284 34.94286       183.5982 153.0326       206.2498 -415.8268      402.9627 78.39761 30.75586 69.87894 33.59597 8.518669       45.54790 
1 1 1 7   32 22 f 73.38658 29.19826 125.7152       188.2862 110.0543       211.0091 186.9077       417.1010 74.20537 30.40753 95.70547 41.16476 -21.50010      51.17768 
1 1 1 7   32 23 o 128.1363 26.77399 553.9651       194.7094 523.3388       217.1194 679.7735       440.0538 122.2646 30.40656 128.0806 46.01398 -5.815941      55.15294 
1 1 1 7   32 24 o 139.7662 23.96789 644.2919       189.3951 575.9122       210.8135 930.4407       431.2519 129.0259 28.60988 148.2264 45.36723 -19.20052      53.63498 
1 1 1 7   32 25 o 98.95541 29.14046 344.8219       180.4900 507.6777       199.2658 -399.2342      425.9259 120.4366 28.63334 70.24081 33.96098 50.19577       44.42090 
1 1 1 7   32 26 o 63.99461 26.91819 62.91846       171.5869 75.60872       187.1451 -4.024758      429.8300 67.00762 28.14433 83.64309 38.41232 -16.63547      47.61942 
1 1 1 7   32 27 o 60.16701 26.70917 -4.756859      188.1375 37.50675       214.4450 -146.0047      392.0338 66.55320 29.06424 74.33821 34.98169 -7.785011      45.48020 
1 1 1 7   32 28 o 81.82282 29.87443 228.1868       186.4670 281.0630       207.8055 9.660296       422.4535 88.40631 31.63703 81.48342 37.65772 6.922890       49.18339 
1 1 1 7   32 29 o 83.78579 30.47433 246.9545       193.7658 283.2104       215.8508 96.48097       439.7377 88.20236 32.15163 85.22991 39.03360 2.972450       50.57024 
1 1 1 7   32 30 o 64.42654 27.20241 77.75652       176.2925 111.7997       195.2584 -72.38691      410.0605 69.33337 28.90787 76.04523 35.78247 -6.711861      46.00055 
1 1 1 7   32 31 o 188.1596 18.01773 1140.439       196.4015 1193.376       214.7259 869.3901       485.8768 191.1519 19.42325 124.3455 47.63375 66.80637       51.44159 
1 1 1 7   32 32 o 54.29575 25.36463 -96.80515      199.8089 -193.1577      224.7634 266.2681       436.3058 52.94443 25.35849 89.20121 40.05896 -36.25678      47.41068 
1 1 1 7   32 33 o 55.37922 25.51665 -54.95438      191.8715 -24.93691      214.9437 -172.6900      425.6883 59.99594 27.40621 71.45174 34.39763 -11.45580      43.98064 
1 1 1 7   32 34 o 55.99564 25.67350 -39.26031      190.9465 18.13401       213.0937 -273.1160      430.1404 62.21123 27.96214 68.38431 33.30872 -6.173080      43.48968 
1 1 1 7   32 35 o 134.1309 29.92150 700.8492       229.3875 710.6969       282.0281 681.6016       394.2892 126.5532 36.18330 111.0015 42.80975 15.55170       56.05270 
1 1 1 7   32 36 o 49.67154 24.22853 -272.1255      229.8740 -495.7355      279.4838 195.4812       404.1582 48.98466 24.40349 81.90216 37.47633 -32.91750      44.72142 
1 1 1 7   33 0  o 122.4127 31.44920 486.5377       226.9703 461.2514       282.3572 532.7141       381.5625 119.0954 36.75660 127.9021 43.02777 -8.806671      56.59007 
1 1 1 7   33 1  o 313.9684 10.92103 2918.010       200.7882 2600.197       308.6467 3151.198       264.3797 293.9790 17.98783 325.3568 13.88730 -31.37781      22.72486 
1 1 1 7   33 2  o 480.4461 12.50191 6847.364       351.9674 0.000000       0.000000 6847.364       351.9674 ?        ?        480.4461 12.50191 0.000000       12.50191 
1 1 1 7   33 3  o 384.5130 11.59270 4380.737       261.1258 0.000000       0.000000 4380.737       261.1258 ?        ?        384.5130 11.59270 0.000000       11.59270 
1 1 1 7   33 4  o 203.3492 11.38952 1227.607       135.2881 0.000000       0.000000 1227.607       135.2881 ?        ?        203.3492 11.38952 0.000000       11.38952 
1 1 1 7   33 5  o 71.50632 20.07070 158.7879       87.59167 -4.799362      254.4060 180.7876       93.29575 73.32504 31.84367 76.05616 20.46807 -2.731117      37.85447 
1 1 1 7   33 6  o 207.5938 11.38396 1279.656       138.0679 0.000000       0.000000 1279.656       138.0679 ?        ?        207.5938 11.38396 0.000000       11.38396 
1 1 1 7   33 7  o 272.1204 10.31992 2192.059       164.3994 2757.446       310.5580 1971.934       193.7776 302.6438 17.57245 257.3924 12.87772 45.25143       21.78593 
1 1 1 7   33 8  o 81.98581 16.43315 208.0267       76.26089 94.74432       232.8085 221.6432       80.71411 78.10245 31.96461 84.59586 16.86068 -6.493416      36.13888 
1 1 1 7   33 9  o 127.1440 12.28491 484.0092       90.46519 143.0880       233.7815 544.0499       98.10836 82.48337 32.62553 134.8077 12.55340 -52.32431      34.95731 
1 1 1 7   33 10 o 123.1807 12.33484 454.7761       87.91258 300.3600       235.0058 479.9013       94.79532 98.86360 33.76339 126.4297 12.96821 -27.56614      36.16823 
1 1 1 7   33 11 o 132.3483 28.73988 567.0839       216.6723 594.0281       246.0130 473.9053       457.4917 134.3797 31.72748 123.5879 46.48008 10.79182       56.27637 
1 1 1 7   33 12 o 212.8822 18.13549 1375.282       224.2686 1315.946       254.9265 1578.426       471.6892 206.8918 21.31442 216.5005 38.56297 -9.608704      44.06140 
1 1 1 7   33 13 o 62.23378 28.23036 -97.47034      223.1001 -35.18715      256.2891 -292.3149      453.3032 70.98788 31.35977 81.85196 38.22682 -10.86407      49.44416 
1 1 1 7   33 14 o 145.5633 27.64223 682.8353       227.3529 563.9816       266.3000 1002.368       436.6392 129.3853 34.47453 167.4275 43.92735 -38.04225      55.84000 
1 1 1 7   33 15 o 255.4950 17.21611 1977.920       256.4632 2002.996       298.5438 1907.301       501.0060 255.6557 20.07226 237.7437 37.14674 17.91200       42.22293 
1 1 1 7   33 16 o 133.1259 32.11058 595.3685       247.7837 743.4624       289.5681 190.4106       478.8364 148.0597 34.05751 104.3083 44.46737 43.75148       56.01126 
1 1 1 7   33 17 o 182.1721 22.83678 1042.868       238.6407 1012.761       276.5158 1130.743       472.4088 176.9116 27.54753 173.7682 45.73938 3.143372       53.39436 
1 1 1 7   33 18 o 159.5365 24.45963 815.6236       221.5676 908.0891       259.4439 566.4691       425.8806 166.7383 27.48830 124.8344 45.21157 41.90385       52.91212 
1 1 1 7   33 19 o 98.90795 31.16927 330.4063       201.9135 286.0241       225.3037 511.4804       455.0848 93.93526 33.00744 119.2754 45.99423 -25.34010      56.61237 
1 1 1 7   33 20 o 202.0077 17.07549 1257.117       200.4050 1253.422       226.7528 1270.302       428.3459 200.2342 19.55826 184.0831 40.75354 16.15109       45.20372 
1 1 1 7   33 21 o 118.9237 26.98935 479.1895       183.9127 456.6398       203.8844 577.6683       426.0745 114.4134 30.01624 120.6610 44.96261 -6.247612      54.06118 
1 1 1 7   33 22 o 143.6539 23.52882 676.3782       191.3731 802.0256       211.7138 115.1357       447.4532 156.4541 23.82451 91.88017 40.96404 64.57396       47.38839 
1 1 1 7   33 23 o 65.05254 27.89270 44.45255       190.3762 141.0463       210.2424 -395.4214      448.6522 75.75261 30.60721 72.47536 34.99574 3.277252       46.49197 
1 1 1 7   33 24 o 83.99127 30.10528 233.7603       188.2505 191.4503       206.5995 440.7125       456.9227 80.12823 30.96565 107.6970 44.50188 -27.56873      54.21521 
1 1 1 7   33 25 f 60.32413 26.94640 -16.93327      194.5872 98.14634       215.4838 -525.4349      452.9619 71.64806 30.15315 68.40947 33.50492 3.238586       45.07541 
1 1 1 7   33 26 o 45.97975 22.28835 -248.9982      186.4840 -236.0227      202.7690 -320.1830      474.9341 49.12219 23.67123 74.64632 36.03468 -25.52413      43.11409 
1 1 1 7   33 27 o 58.64422 25.99701 1.435872       177.6240 104.5590       196.7197 -453.7138      413.2823 69.40078 28.98195 65.52271 32.07276 3.878067       43.22748 
1 1 1 7   33 28 o 115.2084 29.61929 492.3747       201.2281 573.7825       226.9622 193.2181       435.0805 123.0828 31.35777 88.85033 39.94367 34.23248       50.78195 
1 1 1 7   33 29 o 167.9761 19.95629 924.5671       192.7595 869.6829       214.1048 1159.382       442.8596 159.7205 23.56367 154.3875 45.69348 5.333008       51.41148 
1 1 1 7   33 30 o 93.11308 31.30646 336.9598       201.9943 341.8579       230.9910 321.0420       416.4119 92.79976 33.33779 92.21049 40.37935 0.5892639      52.36316 
1 1 1 7   33 31 o 72.03024 29.70134 147.9687       202.9602 392.2877       225.5207 -893.1443      465.5397 97.96304 33.07979 59.00087 29.69051 38.96217       44.44995 
1 1 1 7   33 32 o 97.28939 31.25814 379.5020       202.2591 379.0104       231.0190 381.1160       418.5802 95.54524 33.43479 93.26888 40.67083 2.276360       52.64980 
1 1 1 7   33 33 o 49.72902 23.74331 -159.3236      193.7243 -22.07152      216.5276 -709.9268      433.6837 59.94490 27.42982 58.95370 29.52517 0.9912033      40.30050 
1 1 1 7   33 34 o 182.9413 24.63515 1192.473       257.6007 1406.934       292.4123 449.2027       544.3698 197.0089 25.93756 93.98425 43.18602 103.0247       50.37647 
1 1 1 7   33 35 o 72.90915 31.40410 149.1897       243.4113 55.65054       280.0843 437.8687       492.0390 69.29743 31.51170 93.10564 42.11018 -23.80821      52.59519 
1 1 1 7   34 0  o 155.9555 25.37221 765.8331       224.0953 731.4638       276.0655 832.2338       383.7186 149.3510 32.44746 155.3132 41.38261 -5.962189      52.58667 
1 1 1 7   34 1  o 98.17037 17.30710 297.2807       96.00501 470.0719       263.4219 270.8140       103.0958 119.2581 35.22666 93.06610 19.51312 26.19202       40.27008 
1 1 1 7   34 2  o 88.23071 18.02180 242.2053       90.09875 476.4202       272.4211 213.4392       95.47148 119.9488 35.92059 82.41734 19.96489 37.53143       41.09605 
1 1 1 7   34 3  o 93.75550 17.59369 272.1870       93.18732 595.7700       271.2685 228.8921       99.22582 133.8199 34.38235 85.32243 20.15292 48.49748       39.85331 
1 1 1 7   34 4  f 205.9448 17.79805 1284.504       212.8604 1538.787       283.7776 957.3779       321.8675 223.8014 21.90047 170.8276 33.32396 52.97375       39.87627 
1 1 1 7   34 5  o 102.8176 15.72974 323.0850       91.83958 405.2665       250.1234 310.2788       98.73621 111.4304 34.62930 100.2793 17.42039 11.15107       38.76414 
1 1 1 7   34 6  o 161.7355 12.03577 780.4588       113.3458 796.8199       251.5484 776.2907       126.9654 157.7313 28.22929 160.9261 13.57926 -3.194809      31.32554 
1 1 1 7   34 7  o 221.1832 10.31484 1450.554       133.4343 1346.781       238.4449 1497.867       161.0046 210.1072 19.57595 224.2566 12.28868 -14.14946      23.11341 
1 1 1 7   34 8  o 95.75320 17.04451 283.2128       92.20787 0.000000       0.000000 283.2128       92.20787 ?        ?        95.75320 17.04451 0.000000       17.04451 
1 1 1 7   34 9  o 74.33891 30.12729 95.31636       204.4009 158.0768       241.1870 -64.65206      385.0598 84.25298 33.19640 84.52545 37.82081 -0.2724686     50.32310 
1 1 1 7   34 10 o 194.8160 19.58082 1161.622       220.6898 1392.063       262.6976 608.9099       406.8420 212.6186 21.35597 132.5370 44.42880 80.08160       49.29499 
1 1 1 7   34 11 o 94.71114 32.73820 275.4249       221.1485 303.2065       257.0286 196.2328       433.9544 99.51675 35.22979 102.6917 42.97633 -3.174919      55.57070 
1 1 1 7   34 12 o 220.1487 18.76040 1479.752       239.9137 1284.406       276.8212 2069.319       480.9093 202.6003 23.74765 250.6695 33.55429 -48.06915      41.10767 
1 1 1 7   34 13 o 202.4079 20.97472 1267.323       245.3811 1236.139       284.9329 1356.839       482.7631 197.6966 25.14300 194.3320 43.45041 3.364532       50.20068 
1 1 1 7   34 14 o 72.14697 30.63016 47.89795       225.5773 148.5437       262.0801 -239.8047      443.1068 84.37579 34.14349 81.44698 37.95687 2.928802       51.05391 
1 1 1 7   34 15 o 74.45879 31.05498 79.94279       225.4485 -94.51880      254.9930 704.6515       482.5219 66.22435 30.09579 136.4624 48.27370 -70.23805      56.88679 
1 1 1 7   34 16 o 168.9780 22.82955 905.9184       220.4622 857.2426       256.6143 1043.089       430.7791 161.2663 28.15619 166.1840 43.64627 -4.917740      51.94004 
1 1 1 7   34 17 o 84.30438 31.63764 206.4769       211.7157 194.5947       239.7137 248.6159       451.4266 85.08046 33.22178 102.1960 43.35676 -17.11552      54.62138 
1 1 1 7   34 18 o 113.5007 30.42115 446.6324       206.6035 528.7964       234.8788 165.6776       434.3315 122.5723 32.24611 95.57993 41.55701 26.99235       52.60035 
1 1 1 7   34 19 o 71.67279 29.54605 98.71430       200.7719 268.9267       219.9277 -752.6635      491.8647 90.47318 32.52621 68.56734 33.84182 21.90584       46.93850 
1 1 1 7   34 20 o 56.48540 25.63731 -61.36094      184.3157 -10.58060      202.5355 -306.1166      444.6515 62.69667 27.77857 75.40809 35.99497 -12.71141      45.46742 
1 1 1 7   34 21 o 127.4400 26.37414 552.2208       190.6202 622.6551       209.5712 214.7617       458.7226 134.7924 27.44421 96.39029 42.29056 38.40216       50.41504 
1 1 1 7   34 22 o 91.66092 30.58273 294.1110       192.8054 406.8139       210.7844 -283.2762      477.0945 105.8594 31.57204 77.58392 37.10213 28.27548       48.71716 
1 1 1 7   34 23 o 85.68401 30.40604 249.7499       191.5601 167.5119       207.9196 711.5110       492.6833 77.45381 30.72606 123.5539 47.79965 -46.10014      56.82339 
1 1 1 7   34 24 o 64.24873 27.71791 45.23842       190.2083 105.6198       207.7601 -267.5075      472.8316 71.21590 29.76526 76.31640 36.61295 -5.100502      47.18558 
1 1 1 7   34 25 o 86.67474 30.29914 268.1069       189.6892 324.3590       205.6122 -53.45891      491.6031 93.51900 31.58594 83.06287 39.11383 10.45612       50.27488 
1 1 1 7   34 26 o 96.84557 31.37016 354.2833       203.4429 542.3706       229.3184 -340.9138      440.8727 119.0744 32.10907 70.46450 34.18365 48.60988       46.89898 
1 1 1 7   34 27 f 129.7899 27.40410 604.6275       202.0403 681.7740       220.7433 206.3711       501.5460 137.1477 28.38033 91.05517 41.69590 46.09251       50.43800 
1 1 1 7   34 28 o 47.23640 22.82729 -224.2011      191.8487 -180.6688      211.2097 -429.5223      458.6956 51.99885 24.81730 68.32455 33.51544 -16.32570      41.70351 
1 1 1 7   34 29 o 75.10691 30.98670 167.1575       221.0660 170.7729       249.7212 154.0608       475.2946 76.96184 32.42892 85.85312 39.77045 -8.891281      51.31592 
1 1 1 7   34 30 o 99.78507 31.19760 397.1331       202.6782 331.2630       223.7325 698.5261       478.5767 90.75423 32.78309 110.3873 45.57213 -19.63310      56.13867 
1 1 1 7   34 31 o 48.16320 23.30185 -222.3718      201.3419 -127.1102      220.8060 -692.3624      490.4519 55.02436 26.00267 63.59513 31.78221 -8.570766      41.06395 
1 1 1 7   34 32 o 107.0386 33.37484 486.0402       232.1203 671.7948       271.2552 -22.01274      448.6037 124.1591 35.48123 76.23543 36.32433 47.92363       50.77770 
1 1 1 7   34 33 o 103.2276 33.68526 461.3087       234.3440 504.4644       268.1361 321.7322       482.2169 104.9932 36.05876 88.66567 40.70670 16.32753       54.38078 
1 1 1 7   34 34 o 57.10221 27.11042 -128.0685      245.4215 -50.85986      277.2680 -407.4418      527.4233 63.63882 29.77820 69.67551 34.50746 -6.036686      45.57967 
1 1 1 7   35 0  o 137.4406 32.85439 627.8286       261.2222 627.8286       261.2222 0.000000       0.000000 137.4406 32.85439 ?        ?        0.000000       32.85439 
1 1 1 7   35 1  o 366.1310 12.22570 3987.223       262.1508 0.000000       0.000000 3987.223       262.1508 ?        ?        366.1310 12.22570 0.000000       12.22570 
1 1 1 7   35 2  o 47.68357 19.42388 29.64722       85.47518 -40.13197      265.9460 37.68565       90.26430 71.93830 31.85442 49.86340 20.08755 22.07490       37.65918 
1 1 1 7   35 3  o 109.7533 15.17268 366.8401       95.05356 281.0174       253.1546 380.9254       102.5575 97.23815 34.90443 111.6169 16.13467 -14.37872      38.45317 
1 1 1 7   35 4  o 168.7986 11.93002 850.2928       117.3421 933.8124       250.5128 826.8176       132.8131 171.8935 25.63199 165.9626 13.76904 5.930969       29.09614 
1 1 1 7   35 5  o 335.5115 11.44965 3344.313       224.9642 0.000000       0.000000 3344.313       224.9642 ?        ?        335.5115 11.44965 0.000000       11.44965 
1 1 1 7   35 6  o 320.4026 10.26936 3043.030       192.7209 3162.594       290.3887 2948.915       257.6380 324.5357 15.29999 313.9458 14.02823 10.58994       20.75767 
1 1 1 7   35 7  o 224.6401 10.81266 1499.708       142.0343 1216.382       247.5417 1638.767       173.4219 198.2494 21.64156 234.2764 12.66904 -36.02705      25.07711 
1 1 1 7   35 8  o 362.7171 10.53305 3903.516       223.8269 4002.945       324.9270 3813.729       308.7688 365.0151 15.21169 356.4978 14.80033 8.517303       21.22370 
1 1 1 7   35 9  o 147.3147 11.80793 649.4034       101.1628 698.7408       240.3793 638.7845       111.5195 146.1098 29.07523 145.7372 13.19025 0.3726959      31.92729 
1 1 1 7   35 10 o 90.11214 17.74624 253.9011       90.44759 -15.82862      292.4148 282.4375       95.11184 76.00883 33.54097 95.17712 17.69029 -19.16828      37.92022 
1 1 1 7   35 11 o 127.0562 12.97929 486.9607       95.35851 157.9032       261.9738 537.2185       102.3820 85.05434 34.23646 133.4348 13.25809 -48.38048      36.71392 
1 1 1 7   35 12 o 100.8756 14.24525 311.0711       81.93353 134.6438       261.9125 330.2094       86.26308 82.78921 33.89568 103.8968 14.55583 -21.10754      36.88888 
1 1 1 7   35 13 f 48.06551 23.43889 -348.0976      214.7278 -328.5701      246.0115 -410.5647      440.0050 53.69366 25.92365 74.31568 35.56393 -20.62202      44.00941 
1 1 1 7   35 14 o 132.3236 28.89170 589.3076       217.9125 756.9033       258.0841 173.1053       406.7073 149.4213 30.48453 95.59364 40.87322 53.82764       50.98948 
1 1 1 7   35 15 o 175.1264 21.82733 973.8540       219.3302 1086.243       252.6038 629.5535       442.1273 183.6507 24.02868 126.7805 46.04459 56.87025       51.93729 
1 1 1 7   35 16 o 194.9841 18.50167 1184.374       209.0415 977.1112       242.2518 1788.676       413.6510 173.2018 24.53460 228.1447 31.77642 -54.94290      40.14582 
1 1 1 7   35 17 o 159.7520 22.33573 823.0551       203.5534 863.0458       228.3014 668.0165       449.5197 162.0002 24.81883 126.6719 46.36314 35.32825       52.58817 
1 1 1 7   35 18 o 70.25143 28.56973 106.0714       184.5561 56.79967       202.2040 351.9486       451.7001 67.79082 28.89792 104.3035 43.76157 -36.51264      52.44201 
1 1 1 7   35 19 o 193.4325 17.28755 1166.765       194.0511 1197.275       215.3303 1034.880       447.6918 194.7068 19.10265 154.8094 45.97337 39.89743       49.78415 
1 1 1 7   35 20 o 92.81905 30.01717 302.9240       186.3181 196.0615       199.8915 1010.581       514.3905 80.22966 30.59724 145.5133 49.94464 -65.28366      58.57183 
1 1 1 7   35 21 o 76.95815 29.36463 177.8681       184.1710 206.4225       201.0779 29.16754       458.8635 81.08601 30.74345 86.55468 39.72691 -5.468666      50.23333 
1 1 1 7   35 22 o 90.24950 30.36074 290.2479       189.9735 347.4144       208.6972 13.85839       458.8880 97.22314 31.79258 85.00472 39.27197 12.21841       50.52777 
1 1 1 7   35 23 o 88.38910 29.96073 280.4260       185.0049 324.9151       202.9227 61.35558       450.2936 93.81369 31.37634 85.28931 39.22245 8.524376       50.22823 
1 1 1 7   35 24 o 97.03218 30.80659 352.9778       196.9126 504.9979       215.7859 -403.7984      481.4555 115.7211 31.12227 71.87304 35.05919 43.84805       46.88008 
1 1 1 7   35 25 o 57.59739 26.10758 -33.41068      190.3748 95.17097       205.8640 -792.7070      500.2609 69.01441 29.27910 64.70545 32.30038 4.308960       43.59565 
1 1 1 7   35 26 o 52.76775 24.86306 -132.3080      199.1777 -16.22014      219.9002 -662.6205      470.0003 62.07618 28.10631 64.41080 32.01554 -2.334614      42.60234 
1 1 1 7   35 27 o 189.3497 21.57262 1200.835       235.2943 1220.641       266.0270 1129.661       504.2881 187.3237 24.82547 140.4825 49.38035 46.84119       55.26955 
1 1 1 7   35 28 o 45.80197 22.46601 -308.1958      206.0070 -344.9078      229.8436 -158.2303      464.5405 47.88151 23.53509 74.71080 35.95805 -26.82929      42.97536 
1 1 1 7   35 29 o 162.2831 23.48382 914.8521       217.0179 1022.975       243.0264 489.2586       482.1602 169.8449 25.15742 98.50449 43.28336 71.34037       50.06341 
1 1 1 7   35 30 o 78.39165 31.61961 214.8722       223.9583 424.3690       250.7022 -612.8878      498.3352 99.00855 34.81598 65.34975 32.56116 33.65880       47.66950 
1 1 1 7   35 31 o 71.43488 30.49754 138.7094       225.8166 92.63290       254.0164 312.3511       493.1162 69.99611 31.05585 88.79012 40.90948 -18.79401      51.36196 
1 1 1 7   35 32 o 54.51847 25.87186 -130.9738      223.0066 46.65940       263.3166 -581.6060      419.3988 67.60668 30.66833 59.71563 29.77259 7.891056       42.74288 
1 1 1 7   35 33 o 45.56511 22.69005 -443.5488      240.5263 -153.3996      276.4120 -1348.421      488.1348 59.02890 28.23200 53.20869 27.14602 5.820210       39.16570 
1 1 1 7   36 0  o 288.5372 14.96710 2504.001       252.4079 2821.500       320.6024 1986.351       409.3677 304.6415 18.02489 248.7740 28.57640 55.86752       33.78620 
1 1 1 7   36 1  o 344.4926 13.15488 3547.226       265.2887 3480.331       335.8732 3658.177       432.5574 339.1198 16.94139 344.4618 21.51924 -5.342010      27.38774 
1 1 1 7   36 2  o 447.7271 16.10517 6044.293       422.2028 6044.293       422.2028 0.000000       0.000000 447.7271 16.10517 ?        ?        0.000000       16.10517 
1 1 1 7   36 3  o 162.9357 22.45081 832.3865       208.8388 510.5149       253.5443 1511.500       368.2847 122.5047 34.06088 215.6355 29.92704 -93.13075      45.34062 
1 1 1 7   36 4  o 221.3142 16.13027 1483.325       207.9263 1281.531       251.3307 1920.986       370.1350 203.1756 21.41395 246.1140 26.03763 -42.93849      33.71224 
1 1 1 7   36 5  o 206.2682 11.28778 1268.575       136.0294 1753.559       278.8849 1117.171       155.8225 238.5960 20.11743 192.7042 13.88059 45.89183       24.44140 
1 1 1 7   36 6  o 129.2289 14.56567 507.1259       108.4720 440.2913       242.3409 523.8707       121.3016 113.8321 33.82935 130.8707 16.14623 -17.03860      37.48501 
1 1 1 7   36 7  o 226.1156 19.01613 1570.972       249.8411 1570.972       249.8411 0.000000       0.000000 226.1156 19.01613 ?        ?        0.000000       19.01613 
1 1 1 7   36 8  o 126.2338 13.98598 483.5942       101.8075 303.3421       239.3520 523.4084       112.4906 97.31366 34.03396 131.0983 14.89455 -33.78464      37.15048 
1 1 1 7   36 9  o 72.44461 29.85799 87.83695       204.9770 249.4055       245.2731 -286.3167      373.2472 91.54276 34.11370 71.63741 33.83955 19.90535       48.05060 
1 1 1 7   36 10 f 173.8684 21.73691 953.7875       216.8212 1118.291       261.9916 596.2187       386.2594 186.7443 24.51284 126.3806 43.28256 60.36376       49.74193 
1 1 1 7   36 11 o 134.3997 11.80879 544.0339       92.13420 763.8834       255.3472 511.1274       98.78905 150.1842 30.04059 129.8272 13.15597 20.35693       32.79507 
1 1 1 7   36 12 o 28.94555 13.94822 -103.4199      70.39803 -461.9171      246.5249 -71.59055      73.45673 48.84618 24.07993 32.41264 15.21794 16.43354       28.48558 
1 1 1 7   36 13 o 171.3125 22.82439 943.8120       223.6178 819.0582       263.6071 1263.990       422.3052 154.5381 30.16817 183.0665 40.41636 -28.52840      50.43413 
1 1 1 7   36 14 o 71.56052 29.55143 97.51530       201.3160 -106.8086      236.1100 641.5993       385.2901 61.49551 28.32432 126.4846 43.23066 -64.98909      51.68324 
1 1 1 7   36 15 o 105.3435 30.82201 392.6502       202.4786 549.6335       231.1866 -124.3072      419.5302 124.1157 31.66288 79.67064 37.06311 44.44501       48.74640 
1 1 1 7   36 16 f 115.5157 28.30921 464.0357       190.2659 351.9200       215.1310 866.6780       407.6893 99.35144 32.26466 143.7182 44.13353 -44.36673      54.66971 
1 1 1 7   36 17 o 185.1731 18.28237 1078.699       195.9581 965.7830       217.4033 1567.828       452.4800 172.6015 21.97442 201.2722 39.74324 -28.67070      45.41365 
1 1 1 7   36 18 o 90.38176 29.02584 284.8902       174.4157 397.8498       192.3482 -237.5843      413.6749 105.4648 29.79163 73.80273 35.08468 31.66208       46.02691 
1 1 1 7   36 19 o 103.8699 28.88807 384.8304       182.3520 428.8102       199.5450 162.1010       449.0582 108.8705 30.19683 91.60528 40.92617 17.26523       50.86059 
1 1 1 7   36 20 o 161.3964 21.48643 851.6718       198.3323 874.6111       216.9225 734.7834       489.6653 162.0038 23.51783 123.3072 47.66683 38.69651       53.15276 
1 1 1 7   36 21 o 126.7346 26.72400 563.3569       192.3662 581.6293       208.2200 456.8881       502.6156 127.3277 28.58586 104.9578 45.16670 22.36987       53.45261 
1 1 1 7   36 22 o 48.64186 23.25600 -186.1290      187.2087 -172.3352      207.8681 -245.3582      430.7391 52.42733 24.90800 72.54820 34.84176 -20.12088      42.82939 
1 1 1 7   36 23 o 83.50864 29.47973 248.2773       179.8712 169.9558       197.9289 619.7093       431.0308 75.31165 29.94558 113.1432 44.43917 -37.83159      53.58710 
1 1 1 7   36 24 o 74.12885 29.06033 170.4331       184.0241 274.6329       202.1230 -334.4740      444.9262 86.32158 31.16266 70.08451 34.07786 16.23707       46.17805 
1 1 1 7   36 25 o 109.3296 31.19290 465.4455       209.8149 459.2731       231.9315 493.2578       492.3236 106.5547 33.38188 101.6727 44.22485 4.881943       55.40927 
1 1 1 7   36 26 o 95.01302 31.17353 354.9774       200.5755 427.5929       226.6901 93.15672       430.4470 102.3798 33.11002 81.58110 37.81100 20.79874       50.25879 
1 1 1 7   36 27 o 71.99169 30.00471 145.4500       210.2386 90.29170       232.2159 396.1728       495.0894 69.22437 30.23737 94.59577 42.56098 -25.37140      52.20857 
1 1 1 7   36 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   36 29 o 66.46096 29.55683 60.61549       231.4506 230.3721       272.1599 -382.9480      439.9351 80.69566 33.91970 65.95287 32.44590 14.74279       46.93914 
1 1 1 7   36 30 o 72.17500 30.83581 146.9728       231.1529 180.0043       261.3465 28.28467       495.4001 76.06718 32.64929 78.95625 37.77161 -2.889069      49.92665 
1 1 1 7   36 31 o 90.11225 33.23329 345.8895       231.6753 370.5844       266.8464 270.2938       466.8810 91.39807 35.22633 86.00292 39.69019 5.395149       53.06793 
1 1 1 7   36 32 o 63.88387 29.54115 -8.385983      260.5231 121.6962       313.6771 -297.6612      467.7669 74.03613 33.54027 68.25825 33.55561 5.777885       47.44395 
1 1 1 7   37 0  o 130.8640 28.46414 570.8143       212.2260 1036.548       267.3453 -222.7424      348.9736 178.9179 26.25916 71.35493 33.39486 107.5630       42.48247 
1 1 1 7   37 1  o 33.91317 16.07766 -97.55939      85.70769 96.08722       247.6789 -123.9023      91.35153 77.81225 32.50907 33.58307 16.10668 44.22918       36.28036 
1 1 1 7   37 2  o 67.74072 20.93789 143.1605       91.58085 -77.43622      231.3128 184.1670       99.73020 63.57320 28.80104 75.88693 21.45705 -12.31373      35.91524 
1 1 1 7   37 3  o 145.3787 12.21944 636.0873       103.2210 805.3173       229.0513 592.9618       115.6276 157.5187 25.67794 139.6593 14.31952 17.85942       29.40077 
1 1 1 7   37 4  o 170.8278 11.11987 873.4245       110.8005 1526.259       253.5618 719.3457       123.1838 221.6930 19.70726 154.1052 13.77477 67.58774       24.04414 
1 1 1 7   37 5  o 102.3165 16.17484 324.8858       93.83665 364.9367       212.7546 315.2131       104.5557 103.3223 31.90929 99.94610 18.51921 3.376228       36.89396 
1 1 1 7   37 6  o 159.4370 12.09047 765.0076       112.2104 914.3212       215.3680 709.3724       131.4639 169.6068 22.18258 152.4890 14.88947 17.11778       26.71635 
1 1 1 7   37 7  o 159.7542 13.90567 774.9112       128.9882 0.000000       0.000000 774.9112       128.9882 ?        ?        159.7542 13.90567 0.000000       13.90567 
1 1 1 7   37 8  o 252.7085 10.32679 1906.084       152.7284 1873.156       255.9417 1924.293       190.3297 246.2906 17.84007 252.6893 12.88562 -6.398773      22.00698 
1 1 1 7   37 9  o 225.2623 20.51150 1597.877       268.0105 1597.877       268.0105 0.000000       0.000000 225.2623 20.51150 ?        ?        0.000000       20.51150 
1 1 1 7   37 10 o 97.16504 15.05415 293.1532       83.01333 323.7831       249.2930 289.3333       88.03777 97.25278 34.66842 96.11691 16.19269 1.135864       38.26360 
1 1 1 7   37 11 o 207.0424 10.40596 1283.553       125.9498 1625.626       271.8788 1190.083       142.1196 226.4853 20.69695 198.5426 12.26522 27.94273       24.05825 
1 1 1 7   37 12 o 137.3303 11.15899 568.8141       89.10184 422.4092       242.7654 591.6067       95.78683 107.6069 34.21079 139.8502 11.78830 -32.24325      36.18483 
1 1 1 7   37 13 o 105.5683 31.84631 401.0271       213.5509 360.3675       248.8753 514.5414       415.8388 100.0658 34.72269 113.7294 43.93684 -13.66359      56.00099 
1 1 1 7   37 14 o 248.7391 18.79558 1946.577       272.1603 1946.577       272.1603 0.000000       0.000000 248.7391 18.79558 ?        ?        0.000000       18.79558 
1 1 1 7   37 15 o 133.4178 46.48992 802.1782       446.3765 0.000000       0.000000 802.1782       446.3765 ?        ?        133.4178 46.48992 0.000000       46.48992 
1 1 1 7   37 16 o 64.95982 27.81259 50.70200       188.7794 -100.9564      215.6895 547.2657       390.2862 58.10510 26.87260 114.3882 42.94962 -56.28313      50.66366 
1 1 1 7   37 17 o 94.62908 30.07825 321.6951       187.6659 309.2008       213.8246 363.5928       391.5598 92.75331 32.18486 100.1859 41.27702 -7.432602      52.34173 
1 1 1 7   37 18 o 125.5967 26.57731 549.5535       189.6515 613.3109       214.2283 318.5252       407.7969 131.2364 28.64019 96.83037 41.14939 34.40607       50.13515 
1 1 1 7   37 19 o 57.56537 25.76754 -16.82082      178.9225 -24.83714      200.3144 14.81247       397.9210 59.90558 27.00220 80.07922 36.84270 -20.17365      45.67826 
1 1 1 7   37 20 o 74.70699 29.44740 166.9155       189.8568 -11.14425      211.1068 920.1914       434.2066 61.89993 27.82608 137.1292 45.89764 -75.22928      53.67387 
1 1 1 7   37 21 o 47.04338 22.80943 -249.0999      195.6110 -97.02643      213.3715 -1050.189      489.7224 56.85903 26.44457 59.74884 30.11610 -2.889809      40.07860 
1 1 1 7   37 22 o 127.4782 28.26280 592.9422       205.7542 649.0604       224.0377 290.6104       520.0095 132.2632 29.62018 94.29588 42.90185 37.96736       52.13371 
1 1 1 7   37 23 o 100.9550 31.55586 399.0767       207.3727 384.7742       233.8672 451.6887       448.5444 97.76615 33.67207 99.89318 42.82242 -2.127029      54.47538 
1 1 1 7   37 24 o 71.61331 29.53847 142.4405       200.8222 149.1340       224.4056 115.5224       450.0194 73.72243 30.88227 83.37580 38.64914 -9.653374      49.47192 
1 1 1 7   37 25 o 86.09342 30.56160 284.7135       193.5397 301.4197       218.9705 225.0616       413.7697 87.64697 32.31181 85.93782 38.76562 1.709145       50.46609 
1 1 1 7   37 26 o 114.3423 31.69072 526.2097       219.8679 648.3500       243.1863 -20.62128      514.5599 126.5498 32.57468 79.93386 38.30766 46.61597       50.28505 
1 1 1 7   37 27 o 59.85563 27.24258 -12.29034      209.9217 -81.61435      232.6485 291.4326       486.9644 58.48231 27.33657 88.92900 40.85667 -30.44669      49.15847 
1 1 1 7   37 28 o 73.83147 30.66658 173.5377       218.5409 -30.59638      248.0849 880.7394       461.7578 62.30899 28.81797 119.2762 46.23956 -56.96720      54.48461 
1 1 1 7   37 29 o 52.99258 25.35586 -165.3304      223.4797 -206.3729      265.8037 -66.34695      412.7866 56.12473 27.05976 72.19661 34.52184 -16.07188      43.86329 
1 1 1 7   37 30 o 51.77342 25.24865 -273.8190      249.2793 -392.0937      303.6783 -29.48603      436.4744 53.99590 26.63892 74.24541 35.50071 -20.24951      44.38392 
1 1 1 7   38 0  o 144.0922 14.13118 633.9254       117.8838 466.5658       251.1823 681.2001       133.4992 113.6048 34.59483 148.8226 15.52329 -35.21780      37.91800 
1 1 1 7   38 1  o 257.7306 12.04990 1997.926       181.6335 0.000000       0.000000 1997.926       181.6335 ?        ?        257.7306 12.04990 0.000000       12.04990 
1 1 1 7   38 2  o 136.7535 12.87610 567.8307       102.0545 868.1578       219.8918 485.3805       115.2147 163.5417 23.60873 125.1456 16.06822 38.39608       28.55801 
1 1 1 7   38 3  o 144.6763 12.39858 633.6392       104.1877 1006.796       229.2113 536.4612       116.9699 176.8900 22.61065 131.8987 15.41122 44.99132       27.36324 
1 1 1 7   38 4  o 61.35549 20.98178 112.5461       90.76138 -80.33890      199.8814 162.6460       101.8689 57.83669 26.42315 71.22472 22.09409 -13.38804      34.44317 
1 1 1 7   38 5  o 210.6808 9.796974 1325.698       120.7193 1586.244       226.2135 1221.954       142.7441 226.3807 17.16635 201.2650 12.14973 25.11568       21.03092 
1 1 1 7   38 6  o 108.1319 16.57461 366.2523       101.7649 284.6479       226.7482 386.8351       113.8780 92.03736 33.03433 110.4979 18.20608 -18.46052      37.71907 
1 1 1 7   38 7  o 187.1119 11.06444 1052.486       120.8755 1302.319       232.7152 960.1800       141.4538 202.9977 19.79846 177.5324 13.69155 25.46526       24.07151 
1 1 1 7   38 8  o 153.6666 12.61706 716.8682       112.7066 531.6870       256.3881 761.2247       125.4810 119.7842 34.57831 157.9131 13.68399 -38.12889      37.18751 
1 1 1 7   38 9  o 220.4494 10.62510 1458.314       136.9657 1714.459       259.6183 1359.528       161.2283 233.3092 19.14191 211.6081 13.05504 21.70113       23.16995 
1 1 1 7   38 10 o 207.7930 10.69954 1297.185       129.9516 1147.448       251.8773 1351.501       151.7011 187.1726 23.45931 211.3080 12.29425 -24.13538      26.48562 
1 1 1 7   38 11 o 89.84361 15.53858 254.0041       78.91279 556.6448       242.7364 218.2387       83.44548 122.8176 32.99889 82.33326 17.80071 40.48430       37.49389 
1 1 1 7   38 12 o 121.1961 12.01914 447.2244       84.30614 120.2772       238.3442 493.9802       90.13299 75.87414 31.80816 127.3512 12.21754 -51.47702      34.07386 
1 1 1 7   38 13 f 278.6913 14.30169 2379.501       232.9734 2502.597       280.5340 2105.934       418.2107 283.3925 16.95654 245.7553 29.61237 37.63713       34.12355 
1 1 1 7   38 14 o 89.90881 31.33334 285.6260       202.7706 284.5435       234.6900 288.8135       402.7195 90.25658 33.41966 95.84589 40.81740 -5.589310      52.75352 
1 1 1 7   38 15 o 53.23468 24.99641 -136.9213      198.2689 -127.1397      229.9096 -165.3037      391.6306 58.21560 27.19988 73.34988 34.65282 -15.13428      44.05283 
1 1 1 7   38 16 o 70.00846 28.94782 111.1329       193.5140 -92.02451      223.9585 709.7106       384.4249 59.04605 27.33410 125.1309 43.16777 -66.08487      51.09412 
1 1 1 7   38 17 o 138.5278 44.55384 902.0665       410.8412 0.000000       0.000000 902.0665       410.8412 ?        ?        138.5278 44.55384 0.000000       44.55384 
1 1 1 7   38 18 o 62.37889 27.32311 31.04584       190.7730 13.82271       221.8490 79.92999       373.7538 64.68542 28.84151 80.65161 36.56684 -15.96619      46.57216 
1 1 1 7   38 19 o 59.11150 26.24858 4.914256       181.8428 153.2883       209.7773 -443.5661      364.7130 74.30441 30.36831 60.86777 29.86330 13.43664       42.59167 
1 1 1 7   38 20 o 92.65416 31.53335 328.9989       204.9579 243.6428       238.4037 570.8035       401.2619 83.58424 32.98223 109.0504 42.86340 -25.46613      54.08418 
1 1 1 7   38 21 o 69.48162 29.53785 105.4080       210.2543 76.79889       241.5581 194.8289       427.0602 69.94403 30.68806 86.60924 39.19579 -16.66521      49.78019 
1 1 1 7   38 22 o 110.7671 31.29125 482.9093       212.1938 588.4479       236.6589 50.17096       479.2144 121.3860 32.56949 82.15160 38.66399 39.23438       50.55370 
1 1 1 7   38 23 o 71.30193 30.61303 119.0879       229.8913 199.4534       258.8359 -181.1595      500.2987 79.05161 33.14425 75.64420 36.62957 3.407410       49.39906 
1 1 1 7   38 24 o 69.14954 29.60466 111.4391       213.8676 234.8362       251.6513 -209.4491      405.8108 81.08359 33.21438 68.72516 33.20895 12.35843       46.96838 
1 1 1 7   38 25 o 90.46452 31.39884 329.5484       203.5143 262.1169       230.3653 569.2785       434.3570 82.81629 32.49976 102.6392 42.97820 -19.82287      53.88284 
1 1 1 7   38 26 o 115.5992 31.01803 538.4100       214.6441 650.9678       239.9436 87.50478       480.2461 126.1542 32.29632 80.67562 38.19118 45.47855       50.01619 
1 1 1 7   38 27 o 49.71922 24.20808 -257.4845      226.6051 -367.4128      269.2838 9.233928       419.4518 51.20430 25.22793 75.05531 35.57809 -23.85101      43.61478 
1 1 1 7   38 28 o 75.51031 31.49820 192.3331       231.9798 286.2744       283.4996 1.974952       403.5616 84.00572 34.91334 73.82802 34.96729 10.17770       49.41308 
1 1 1 7   38 29 o 104.0046 33.11547 472.1794       227.3982 599.4648       281.8372 234.7557       384.9204 112.1205 36.96109 81.90538 37.12485 30.21514       52.38680 
1 1 1 7   39 0  o 125.8145 15.34571 491.1181       110.8917 603.1533       231.2330 457.6561       126.3715 130.0486 30.79611 119.9149 18.56879 10.13373       35.96110 
1 1 1 7   39 1  o 127.6188 13.99548 500.6582       103.0334 541.8677       225.8200 489.8239       115.7880 122.7190 31.28610 125.2907 16.13169 -2.571693      35.20016 
1 1 1 7   39 2  o 193.5571 17.91095 1174.271       201.0136 1137.817       233.4849 1278.675       395.1302 187.8487 21.58517 183.3567 37.99433 4.492004       43.69769 
1 1 1 7   39 3  o 152.5986 14.01749 714.0156       124.0497 0.000000       0.000000 714.0156       124.0497 ?        ?        152.5986 14.01749 0.000000       14.01749 
1 1 1 7   39 4  o 79.32417 20.01038 206.1532       93.06895 275.0625       193.2207 185.3360       106.2005 89.32310 30.61196 75.00266 22.42005 14.32044       37.94405 
1 1 1 7   39 5  o 189.4116 11.12030 1081.193       122.9869 1448.540       235.7606 943.8530       144.1557 214.1019 18.97205 175.4761 14.12687 38.62584       23.65391 
1 1 1 7   39 6  o 55.49050 20.65178 81.96707       89.83256 284.1422       206.2601 34.63974       99.79467 90.38994 31.59508 50.14372 20.76601 40.24622       37.80841 
1 1 1 7   39 7  o 94.96983 18.42226 290.5175       98.90453 386.2775       246.9107 272.2157       107.9429 101.9383 34.61170 90.89995 20.71138 11.03833       40.33523 
1 1 1 7   39 8  f 73.16934 20.65404 176.0728       92.48459 222.5720       229.1995 167.0292       101.0789 84.21118 32.59595 71.41004 21.98371 12.80114       39.31640 
1 1 1 7   39 9  o 182.7695 11.59275 1010.797       123.6223 1088.976       247.7511 984.8785       142.6496 181.1820 23.89793 179.3315 13.66617 1.850464       27.52953 
1 1 1 7   39 10 o 102.0269 15.90659 328.0693       92.07633 582.3682       235.3043 282.0903       100.0547 125.6640 31.88227 93.15447 18.95955 32.50956       37.09371 
1 1 1 7   39 11 o 142.1223 11.74505 614.1442       97.02340 603.3602       246.1809 616.1273       105.5679 126.7581 32.84969 141.8740 12.82597 -15.11584      35.26482 
1 1 1 7   39 12 o 59.24404 19.34676 110.3874       77.29504 -271.7799      241.2542 154.1038       81.59629 53.22308 25.69035 68.51893 19.42035 -15.29585      32.20472 
1 1 1 7   39 13 o 92.69536 14.99864 270.9928       78.75454 220.3707       217.7161 278.6138       84.47495 82.11715 31.77337 93.60411 15.95995 -11.48696      35.55653 
1 1 1 7   39 14 o 122.5774 27.34475 535.7838       191.5770 626.1776       218.4301 234.4548       398.8077 131.2544 29.13600 90.10599 39.48561 41.14844       49.07158 
1 1 1 7   39 15 o 102.2407 29.80319 390.3124       189.6231 291.7807       219.0547 684.8664       378.7449 88.93900 32.39403 121.1058 42.77529 -32.16681      53.65723 
1 1 1 7   39 16 o 40.47914 20.05653 -353.1396      178.9064 -346.9005      202.0721 -375.7662      384.8207 44.36835 21.85877 64.57605 31.46525 -20.20770      38.31276 
1 1 1 7   39 17 o 147.7645 23.03077 741.2542       193.0815 641.3637       225.3462 1017.094       374.4696 131.1511 29.95610 151.4791 41.11019 -20.32799      50.86665 
1 1 1 7   39 18 o 112.8977 29.86188 482.6242       200.7320 395.1558       233.1125 733.5048       394.7967 99.20451 33.63126 121.5916 43.59569 -22.38705      55.06038 
1 1 1 7   39 19 o 90.61229 34.05240 324.1646       245.4514 324.1646       245.4514 0.000000       0.000000 90.61229 34.05240 ?        ?        0.000000       34.05240 
1 1 1 7   39 20 o 126.0792 29.73990 604.8665       216.3173 688.5831       267.0615 445.1609       368.8634 129.1429 34.57512 98.53981 40.27085 30.60304       53.07711 
1 1 1 7   39 21 o 49.97840 24.23273 -247.4749      220.7977 -147.6384      268.0942 -457.9674      389.2792 59.66430 28.32920 61.20931 30.19066 -1.545010      41.40072 
1 1 1 7   39 22 o 67.21685 28.76662 99.73887       201.7950 209.7712       232.3714 -237.7793      406.9783 78.28664 31.97483 67.90611 32.91918 10.38054       45.89185 
1 1 1 7   39 23 o 50.58208 24.14464 -160.2711      200.0681 -265.2249      228.3944 185.8697       414.7751 50.02511 24.34495 82.92285 37.95165 -32.89774      45.08885 
1 1 1 7   39 24 o 69.37770 30.08923 110.5025       226.5235 195.7751       259.9783 -158.3374      461.6142 77.45305 32.88288 72.61397 35.16764 4.839081       48.14610 
1 1 1 7   39 25 o 73.02576 30.93409 161.5012       229.2103 190.5283       267.8800 82.16615       442.8646 76.85014 33.02119 78.46919 37.00399 -1.619057      49.59531 
1 1 1 7   39 26 o 67.83302 29.21719 111.6308       210.6837 174.6298       243.6996 -74.77090      419.1921 74.51868 31.74402 72.00453 34.52569 2.514145       46.90103 
1 1 1 7   39 27 o 59.76061 27.25183 -2.569434      211.3532 -126.3672      245.8362 348.2062       413.8130 56.96655 27.07113 87.95040 39.29070 -30.98385      47.71378 
1 1 1 7   40 0  o 163.4115 12.27332 812.4024       116.7643 1121.145       242.0079 718.7234       133.3068 184.5478 22.84744 152.2243 15.13215 32.32346       27.40416 
1 1 1 7   40 1  o 139.4634 13.37456 596.9725       108.0540 1005.314       216.5114 461.5334       124.6927 175.7743 21.44620 120.1612 18.26858 55.61317       28.17234 
1 1 1 7   40 2  o 45.64742 19.41961 13.99162       90.99413 -24.40578      216.1727 22.26007       100.3141 62.56387 28.13845 48.54002 20.50850 14.02385       34.81911 
1 1 1 7   40 3  o 97.40242 17.84883 304.8290       98.20383 589.6302       219.9190 233.8942       109.7543 128.0431 29.84026 83.47560 22.08170 44.56747       37.12200 
1 1 1 7   40 4  o 196.2424 17.28572 1210.517       196.9128 1091.262       244.7341 1429.458       331.6041 181.2232 23.58566 202.2798 28.76189 -21.05655      37.19582 
1 1 1 7   40 5  o 205.8890 13.48391 1298.049       161.9210 0.000000       0.000000 1298.049       161.9210 ?        ?        205.8890 13.48391 0.000000       13.48391 
1 1 1 7   40 6  o 54.80833 21.23377 73.14952       97.32630 344.0929       240.2861 19.97463       106.4493 96.09138 34.05867 49.32425 20.99470 46.76714       40.00963 
1 1 1 7   40 7  o 105.7257 17.55150 358.1783       105.0147 320.8394       229.3854 368.0793       118.1201 93.37386 33.25864 106.0965 19.70865 -12.72266      38.65964 
1 1 1 7   40 8  o 158.7967 13.23663 774.4872       122.1533 906.7116       253.7150 734.5886       139.3698 160.5307 27.96439 153.2178 15.73319 7.312912       32.08644 
1 1 1 7   40 9  o 33.86869 16.26444 -121.0383      93.82248 211.1035       238.5286 -181.8313      102.0482 82.01644 32.78668 32.40301 15.87689 49.61343       36.42859 
1 1 1 7   40 10 o 80.39109 20.52184 216.8220       97.07256 -97.45532      229.7357 285.1286       107.1034 59.14955 27.48606 92.49642 20.30181 -33.34687      34.17086 
1 1 1 7   40 11 o 183.6970 11.05505 1023.669       118.5493 1320.405       254.5824 941.5085       133.9596 199.3263 22.15144 174.9382 13.15319 24.38808       25.76224 
1 1 1 7   40 12 o 116.4846 13.54624 421.5170       90.81748 280.2052       222.6553 449.7189       99.46781 87.52227 32.52451 119.9227 14.43240 -32.40041      35.58283 
1 1 1 7   40 13 o 72.48396 18.40097 173.8440       78.34832 -120.2822      212.9965 219.8681       84.25550 55.45844 25.99839 81.78751 18.04977 -26.32907      31.64981 
1 1 1 7   40 14 o 72.26859 29.00050 150.9214       187.3564 21.38869       213.4948 584.8865       390.7734 63.83991 28.38942 110.6521 42.63334 -46.81221      51.22071 
1 1 1 7   40 15 o 148.4650 22.67976 748.2117       191.2204 743.2549       217.4576 765.1149       401.5682 144.3746 26.66428 123.5787 44.00623 20.79591       51.45417 
1 1 1 7   40 16 o 135.9399 26.00240 657.9598       199.7542 666.9796       229.0531 629.3131       408.2020 132.8633 30.09589 111.5564 43.41167 21.30693       52.82362 
1 1 1 7   40 17 o 188.1696 18.85384 1155.590       205.2657 1313.309       246.6978 800.7119       370.0511 197.6204 21.63881 127.8190 42.36101 69.80145       47.56778 
1 1 1 7   40 18 o 136.3906 28.21121 690.1786       218.2097 545.9702       258.3351 1049.279       407.6581 113.0694 35.20184 144.6965 44.07406 -31.62713      56.40649 
1 1 1 7   40 19 o 145.4372 25.04688 752.4804       205.9306 743.4338       241.1521 776.8432       395.7436 138.7111 30.47755 120.8330 43.60696 17.87804       53.20195 
1 1 1 7   40 20 o 59.43515 27.29773 -33.33511      217.1479 -194.1841      258.4667 352.6111       400.3675 56.37878 27.05359 90.88893 39.70187 -34.51015      48.04306 
1 1 1 7   40 21 o 152.1834 31.31344 910.0245       270.1512 910.0245       270.1512 0.000000       0.000000 152.1834 31.31344 ?        ?        0.000000       31.31344 
1 1 1 7   40 22 o 62.99667 30.99453 -382.5411      401.7690 0.000000       0.000000 -382.5411      401.7690 ?        ?        62.99667 30.99453 0.000000       30.99453 
1 1 1 7   40 23 o 64.15757 28.07338 72.58015       200.9369 144.3208       234.6200 -124.8567      389.2212 71.92209 30.90350 68.88251 33.09136 3.039574       45.27764 
1 1 1 7   40 24 o 134.0726 28.07072 686.2284       213.6315 799.3677       260.1092 451.7194       374.4801 139.4109 32.42709 94.40047 39.74063 45.01041       51.29166 
1 1 1 7   40 25 o 53.94051 25.91659 -180.6047      238.9187 -190.4052      282.0914 -155.7336      449.3785 58.06616 27.96573 70.93225 34.43417 -12.86609      44.35983 
1 1 1 7   41 0  o 61.75251 27.11255 24.03703       188.8405 -16.61632      213.3474 171.1221       405.8108 61.86963 27.87897 87.10538 38.91137 -25.23576      47.86786 
1 1 1 7   41 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   41 2  o 88.50486 20.84661 263.1839       106.4110 571.4075       229.0467 178.3470       120.1665 122.8456 31.60953 72.88212 24.13891 49.96348       39.77247 
1 1 1 7   41 3  o 107.4685 16.78080 369.3595       102.3104 519.4728       225.9765 330.6556       114.7443 116.4068 32.07596 99.72307 20.31011 16.68369       37.96535 
1 1 1 7   41 4  o 93.10577 19.88063 288.0154       105.2545 868.7460       258.1119 172.1844       115.2745 154.5644 29.55067 71.69331 23.63827 82.87111       37.84190 
1 1 1 7   41 5  o 54.37280 21.81816 64.10587       106.0410 169.2662       243.1201 39.39984       117.8410 78.00382 32.36767 53.11989 22.32355 24.88393       39.31929 
1 1 1 7   41 6  o 71.38422 22.81766 171.4944       107.8780 332.7968       231.7135 126.8565       121.8943 93.19191 33.40063 64.84969 24.07144 28.34222       41.17082 
1 1 1 7   41 7  f 47.48403 20.40995 13.87588       102.4035 -340.2416      248.5336 86.28744       112.3868 51.12309 24.99186 58.15620 22.73620 -7.033112      33.78650 
1 1 1 7   41 8  o 67.50610 22.57895 150.1750       105.0831 365.5671       244.0084 101.1323       116.4333 96.26268 34.30078 60.62039 23.29359 35.64229       41.46245 
1 1 1 7   41 9  o 57.15865 21.64347 90.15768       99.58161 -51.78847      237.1631 120.5400       109.7225 62.04388 28.50771 62.82573 22.91980 -0.7818527     36.57878 
1 1 1 7   41 10 o 71.67873 21.30872 173.9485       96.13892 320.0374       240.7042 146.2201       104.8666 91.07049 33.82201 66.67313 22.55720 24.39736       40.65409 
1 1 1 7   41 11 f 165.0882 12.47101 837.9395       119.8518 525.2014       239.5156 942.4038       138.4291 114.2396 33.54949 174.3457 13.64702 -60.10615      36.21891 
1 1 1 7   41 12 o 56.50834 20.47180 95.13577       87.32569 361.2845       223.7551 47.31381       94.84717 95.37889 32.93236 50.06328 20.43548 45.31561       38.75757 
1 1 1 7   41 13 f 79.82719 18.51408 212.4448       84.99174 95.23285       217.6566 233.5327       92.32120 69.01266 29.71072 83.41172 19.26126 -14.39906      35.40795 
1 1 1 7   41 14 f 112.7856 29.22157 484.1935       194.8363 315.1505       227.8908 943.4406       375.6224 89.35544 32.95958 140.3819 42.21127 -51.02650      53.55488 
1 1 1 7   41 15 o 77.37211 29.78369 209.1529       190.5913 286.0096       220.9771 -14.08870      376.6121 85.97968 32.31041 74.00320 34.65295 11.97649       47.37921 
1 1 1 7   41 16 o 65.61850 28.50367 75.26540       203.9375 149.1902       238.1092 -128.2749      395.0992 73.82470 31.41068 70.71500 33.80272 3.109695       46.14385 
1 1 1 7   41 17 o 213.5397 18.93427 1500.273       234.6698 1489.971       282.3302 1523.298       422.0756 206.6762 23.72204 183.8057 40.27011 22.87045       46.73775 
1 1 1 7   41 18 o 53.69638 25.53027 -146.5813      219.2106 -247.4258      268.2111 56.31304       380.4394 55.35288 26.80762 75.98164 35.32907 -20.62877      44.34852 
1 1 1 7   41 19 o 74.09916 29.49540 186.0380       192.2245 249.4984       223.0112 2.610628       379.1465 81.15195 31.93742 73.50785 34.53168 7.644104       47.03654 
1 1 1 7   41 20 o 84.46411 31.71071 286.5979       212.7417 257.5464       247.8736 367.8501       414.5370 81.71749 33.15512 90.12321 39.84486 -8.405716      51.83508 
1 1 1 7   41 21 o 69.45383 29.83556 125.6734       218.5827 31.98589       260.5370 348.3600       401.6755 66.32923 30.25099 88.42113 39.15082 -22.09190      49.47635 
1 1 1 7   41 22 o 67.34482 29.40335 98.86106       219.3719 -10.28307      256.8451 393.1924       421.7833 63.62625 29.39011 90.34362 40.05439 -26.71737      49.68030 
1 1 1 7   41 23 o 58.73433 27.18435 -37.26501      221.3466 -159.5181      259.3849 290.2885       424.5765 56.94679 27.26642 85.25691 38.78017 -28.31012      47.40632 
1 1 1 7   41 24 o 82.86417 32.14820 285.4143       223.3320 285.4143       223.3320 0.000000       0.000000 82.86417 32.14820 ?        ?        0.000000       32.14820 
1 1 1 7   42 0  o 65.84303 23.62972 138.1103       116.0153 -127.1518      235.7518 222.8768       133.2691 57.78031 27.17041 79.51897 25.35503 -21.73867      37.16328 
1 1 1 7   42 1  o 92.31210 21.79090 291.6617       116.0662 357.0894       233.4539 270.1796       133.7702 95.01215 33.58086 87.19573 24.91614 7.816414       41.81493 
1 1 1 7   42 2  o 109.5334 18.76890 393.6307       116.2333 734.9548       248.6767 298.2166       131.4794 138.9972 31.26517 92.03030 24.08493 46.96693       39.46637 
1 1 1 7   42 3  o 105.5448 18.68171 365.8375       111.4080 438.3288       259.5217 349.4605       123.3521 102.7489 35.46736 101.4722 21.40220 1.276703       41.42448 
1 1 1 7   42 4  o 100.8324 20.34966 341.1229       116.1860 654.9458       251.1078 255.6366       131.0588 128.7484 33.08042 84.83630 24.79045 43.91208       41.33861 
1 1 1 7   42 5  o 158.5023 14.05882 782.7331       129.3336 1174.504       274.8311 671.2930       146.5786 182.0982 26.51204 144.2819 17.69226 37.81630       31.87326 
1 1 1 7   42 6  o 38.82159 18.41113 -108.6454      112.5834 231.4929       245.2854 -199.4281      126.7201 82.18223 33.11128 36.75991 17.94331 45.42231       37.66058 
1 1 1 7   42 7  o 106.3709 20.39092 379.7884       122.5789 603.0157       232.9709 294.3327       144.1446 124.2700 31.82868 90.14204 25.89812 34.12792       41.03386 
1 1 1 7   42 8  o 49.56171 21.41197 16.96998       113.8226 213.0140       250.1789 -34.20192      127.8173 80.45093 33.05400 47.30098 21.42121 33.14994       39.38826 
1 1 1 7   42 9  o 61.86530 22.98628 116.6840       111.2028 560.5021       261.5941 18.79332       122.8559 114.9488 35.36208 51.18045 22.17824 63.76837       41.74148 
1 1 1 7   42 10 o 66.40130 22.98602 146.6496       109.0353 3.410117       244.6651 182.1477       121.7990 64.97339 29.50870 72.45255 24.30962 -7.479164      38.23246 
1 1 1 7   42 11 o 106.1330 17.63295 368.7441       105.9057 328.8032       248.1083 377.6429       117.1107 90.05923 34.14902 106.2419 19.51424 -16.18266      39.33143 
1 1 1 7   42 12 o 158.3900 12.49558 775.6802       115.1344 1002.249       264.9003 722.9117       127.8408 164.3126 28.52317 151.4935 14.56820 12.81905       32.02817 
1 1 1 7   42 13 o 73.61694 19.99557 185.5989       88.54680 -19.76415      245.5535 216.2943       94.93393 63.21279 29.03112 79.32506 20.31828 -16.11227      35.43499 
1 1 1 7   42 14 o 60.43043 27.90385 -40.98384      231.2225 -40.98384      231.2225 0.000000       0.000000 60.43043 27.90385 ?        ?        0.000000       27.90385 
1 1 1 7   42 15 o 97.77757 30.74433 385.6984       196.5505 463.5626       233.8955 198.5720       362.5940 104.2408 33.62529 81.60429 36.59312 22.63655       49.69624 
1 1 1 7   42 16 o 55.34852 25.81601 -77.40141      205.6736 -60.09830      245.7498 -117.8599      375.7820 60.70699 28.28329 68.90732 32.94607 -8.200333      43.42105 
1 1 1 7   42 17 o 77.32445 30.77497 216.7242       209.2361 218.1046       264.2957 214.4062       342.4803 78.95856 33.32096 81.05299 36.00545 -2.094437      49.05791 
1 1 1 7   42 18 o 118.1185 28.23772 538.2636       192.9552 575.6843       254.0294 487.2277       296.6644 113.8897 34.81178 100.4642 37.50202 13.42551       51.16895 
1 1 1 7   42 19 o 75.68165 28.53512 212.0770       172.6699 238.1536       221.9561 172.1033       274.8071 79.07078 31.62111 75.49457 32.93647 3.576210       45.65858 
1 1 1 7   42 20 f 54.23294 24.71956 -21.33210      173.6404 -163.3694      233.8861 153.0981       259.1875 54.05792 25.88544 73.39789 32.00485 -19.33997      41.16269 
1 1 1 7   42 21 o 46.83878 22.87721 -257.8495      206.9146 6.853108       296.1171 -510.4117      289.2467 67.17574 31.21222 49.28975 24.59814 17.88599       39.74005 
1 1 1 7   43 0  o 53.72875 22.18572 55.89418       113.4532 370.9609       246.8342 -28.49624      127.7469 94.46256 34.38963 47.58969 21.49677 46.87287       40.55562 
1 1 1 7   43 1  o 100.9081 32.26606 412.9186       215.7018 626.6030       267.5906 16.46159       364.4874 121.3274 35.41453 74.56172 34.63873 46.76572       49.53817 
1 1 1 7   43 2  o 40.81241 19.31258 -107.5727      122.5744 -215.6938      263.7231 -77.77988      138.4359 56.51500 27.17294 45.79869 21.30056 10.71630       34.52654 
1 1 1 7   43 3  o 135.6770 18.12178 601.4743       140.5949 576.8691       281.6019 609.6441       162.2659 113.9753 36.90646 134.0802 21.35068 -20.10487      42.63728 
1 1 1 7   43 4  o 101.9177 23.47810 366.9310       137.4428 521.7499       280.2130 317.8841       157.7183 108.0897 36.86914 92.10111 27.27106 15.98854       45.85896 
1 1 1 7   43 5  o 70.58356 25.05239 170.4941       130.0477 331.9835       269.6342 121.5397       148.4563 89.94164 35.20084 65.18562 25.92952 24.75602       43.72001 
1 1 1 7   43 6  o 161.7102 15.41829 829.8984       144.4581 1213.185       284.7380 697.0503       167.6338 182.1835 27.50529 144.1552 20.39718 38.02829       34.24304 
1 1 1 7   43 7  o 45.78250 20.72840 -31.01523      119.5949 151.6225       285.5898 -69.85421      131.6986 76.49744 33.47082 45.01994 20.88262 31.47751       39.45098 
1 1 1 7   43 8  o 39.71091 18.76315 -98.45077      114.8880 -296.2776      272.9201 -55.84458      126.6570 54.34623 26.48462 45.05978 20.75091 9.286453       33.64573 
1 1 1 7   43 9  o 206.3971 12.37204 1315.787       149.0725 1513.944       273.1056 1231.692       177.9145 209.7876 22.55097 196.8367 15.53777 12.95093       27.38555 
1 1 1 7   43 10 o 78.87077 23.76120 223.6531       118.9397 108.6053       259.2361 254.3286       133.8604 71.65235 31.60127 83.17765 25.23958 -11.52530      40.44350 
1 1 1 7   43 11 o 44.10587 19.69198 -14.31518      103.7817 -21.25620      257.9251 -12.97432      113.3636 63.92152 29.49990 46.05678 20.57076 17.86473       35.96387 
1 1 1 7   43 12 o 85.41245 21.10036 254.2358       105.0707 975.0167       258.7899 111.9691       114.9734 160.9352 28.45953 60.83983 23.20449 100.0953       36.72048 
1 1 1 7   43 13 o 66.16042 20.98470 150.1944       91.38660 245.2820       250.5123 135.5979       98.15051 80.93119 33.14408 63.55506 21.81660 17.37613       39.67989 
1 1 1 7   43 14 o 79.62206 30.80447 241.9495       204.6232 139.4675       241.4725 502.9852       385.3842 72.02834 31.15278 97.97758 40.71208 -25.94924      51.26372 
1 1 1 7   43 15 o 96.60718 35.73389 430.4211       268.1944 430.4211       268.1944 0.000000       0.000000 96.60718 35.73389 ?        ?        0.000000       35.73389 
1 1 1 7   43 16 o 59.92476 27.33013 -2.329709      212.6553 18.09435       273.4889 -33.56071      338.1906 66.36089 30.53578 68.51465 32.31789 -2.153763      44.46212 
1 1 1 7   43 17 o 67.51052 28.78018 119.7043       200.5812 374.1238       273.8759 -174.6439      294.5840 90.65666 35.47783 59.70414 28.70954 30.95252       45.63895 
1 1 1 7   43 18 o 50.18090 23.84298 -128.2886      190.5613 -273.9233      273.4691 9.176613       265.6882 54.17684 26.42615 65.10379 30.00785 -10.92695      39.98515 
1 1 1 7   43 19 o 47.56968 22.74094 -145.2254      178.9058 -247.4341      267.5130 -62.52179      240.6376 54.23019 26.38142 59.02455 27.65852 -4.794361      38.22268 
1 1 1 7   44 0  o 44.75809 20.38304 -36.70556      117.7336 599.4336       257.7741 -204.3854      132.3438 117.3207 34.89580 37.29918 18.23464 80.02151       39.37282 
1 1 1 7   44 1  o 101.6401 21.60150 359.3152       124.7926 486.9080       267.3101 323.7574       141.1141 103.6783 35.98519 93.74388 25.14852 9.934395       43.90196 
1 1 1 7   44 2  o 93.59984 23.80043 316.1239       130.9239 810.9882       269.3278 163.0004       149.8163 140.5127 33.21112 69.71838 26.51273 70.79428       42.49592 
1 1 1 7   44 3  o 95.87168 24.54544 335.1125       138.5877 737.9330       262.8987 180.0950       163.0884 133.0173 33.67377 72.30652 27.62230 60.71075       43.55358 
1 1 1 7   44 4  o 53.62797 23.18212 32.83595       133.5733 -89.16402      264.4949 74.60262       154.7578 61.12347 28.75391 60.26508 25.46820 0.8583870      38.41116 
1 1 1 7   44 5  o 51.32699 22.34181 20.92439       125.8366 14.63083       269.0539 22.68652       142.3672 66.60463 30.51438 53.88744 23.60361 12.71719       38.57795 
1 1 1 7   44 6  o 101.3379 22.47826 362.2029       130.0948 229.1715       264.6284 404.6014       149.3945 80.03597 33.53208 105.5351 24.59435 -25.49911      41.58464 
1 1 1 7   44 7  o 104.6508 22.27596 384.7236       132.5203 416.8567       270.2184 374.5479       152.0624 96.10815 35.80812 100.4249 25.71095 -4.316757      44.08259 
1 1 1 7   44 8  o 124.0407 26.16621 568.1514       184.3536 429.3248       275.9116 680.1138       247.7819 96.89849 36.16742 128.1256 32.82939 -31.22707      48.84517 
1 1 1 7   44 9  o 208.3537 13.60257 1359.875       165.3071 1507.107       297.7574 1294.276       198.7499 204.2975 25.39809 199.5682 17.14714 4.729263       30.64454 
1 1 1 7   44 10 o 73.56009 24.42861 195.6827       123.0466 304.9208       266.1315 165.9817       138.7698 85.41923 34.46337 69.28835 25.69032 16.13087       42.98507 
1 1 1 7   44 11 o 86.85763 21.51709 266.5556       109.0374 293.8869       260.6351 260.7573       120.0475 84.23521 34.06269 84.66274 23.39843 -0.4275284     41.32497 
1 1 1 7   44 12 o 82.22592 21.33477 239.1544       103.7569 265.7716       244.0598 233.2825       114.6317 81.57825 32.97130 80.16840 23.11454 1.409851       40.26646 
1 1 1 7   44 13 o 37.97884 17.55622 -50.73484      91.89993 70.57619       237.7589 -72.04237      99.64444 66.54930 29.75242 38.00080 17.80409 28.54850       34.67265 
1 1 1 7   44 14 o 67.96360 29.52555 111.2858       218.8715 184.2524       257.6262 -77.99970      414.9415 75.26323 32.36178 71.08035 34.15240 4.182884       47.04967 
1 1 1 7   44 15 o 95.51393 32.91716 400.0403       223.5105 223.5196       274.7551 745.4079       384.3163 78.43802 33.56768 113.5554 42.62346 -35.11733      54.25448 
1 1 1 7   44 16 o 61.05099 29.14292 -120.4764      291.5333 -120.4764      291.5333 0.000000       0.000000 61.05099 29.14292 ?        ?        0.000000       29.14292 
1 1 1 7   45 0  o 55.43474 23.10726 64.44003       124.7146 58.93289       280.8161 65.79313       139.1951 69.06339 31.46257 57.27230 24.17604 11.79109       39.67839 
1 1 1 7   45 1  o 100.9368 22.94230 364.9724       132.7213 200.9835       277.2641 413.7175       151.1652 77.46181 33.44193 106.0879 24.75102 -28.62605      41.60500 
1 1 1 7   45 2  o 100.5425 36.42497 478.3980       276.4589 478.3980       276.4589 0.000000       0.000000 100.5425 36.42497 ?        ?        0.000000       36.42497 
1 1 1 7   45 3  o 78.89931 26.06929 234.0352       140.1794 496.9600       269.8520 136.8647       164.0503 102.8799 36.12569 66.83352 27.02473 36.04639       45.11543 
1 1 1 7   45 4  o 48.23677 21.78259 -19.24810      131.0527 -261.1527      234.3912 90.76739       158.0688 50.31607 24.52580 61.63093 25.87460 -11.31487      35.65122 
1 1 1 7   45 5  o 109.1141 22.52881 422.8136       139.3899 569.0070       237.8970 346.3860       172.0087 114.6052 33.37466 93.18418 28.67618 21.42107       44.00217 
1 1 1 7   45 6  o 113.6806 24.86698 475.5240       161.1668 531.8992       261.4818 440.9862       204.6653 107.0554 35.61279 102.5756 31.22588 4.479790       47.36377 
1 1 1 7   45 7  o 59.88390 26.42752 45.70202       181.5698 -364.7361      259.0966 441.7732       254.5214 49.79643 24.57442 97.93649 35.01697 -48.14006      42.77956 
1 1 1 7   45 8  o 69.72108 29.42037 143.8639       206.0136 1.498520       255.8355 406.4524       347.4532 63.85425 29.43705 91.09469 38.31026 -27.24044      48.31372 
1 1 1 7   45 9  o 172.9186 15.88540 964.9025       159.2993 977.4014       278.5241 958.8263       194.1977 155.0339 31.70325 167.9396 20.11678 -12.90573      37.54705 
1 1 1 7   45 10 o 139.7696 17.36024 643.3828       139.2469 608.1352       276.5639 655.3525       161.1651 113.3200 36.56479 138.2540 20.49642 -24.93397      41.91762 
1 1 1 7   45 11 o 44.62755 19.92519 -9.919096      106.2585 411.8215       263.4860 -91.83022      116.1198 94.00103 35.29068 40.00145 18.88927 53.99958       40.02795 
1 1 1 7   45 12 o 137.3942 14.46122 602.6058       114.7811 673.6873       276.9295 587.8616       126.1248 119.9310 36.28411 134.2102 16.36153 -14.27917      39.80247 
1 1 1 7   45 13 f 66.91741 21.90071 158.3066       99.02390 61.87032       266.3735 173.7709       106.6685 67.29024 30.65016 69.54587 22.72849 -2.255630      38.15778 
1 1 1 7   46 0  o 73.28146 26.09321 198.8134       141.1813 436.7657       289.9754 124.8830       161.6322 94.65588 36.65700 65.00752 26.62286 29.64835       45.30466 
1 1 1 7   46 1  o 102.8222 22.23578 376.9370       130.1788 916.6614       283.7694 233.0762       146.5044 146.6397 33.70336 78.09695 26.65858 68.54271       42.97204 
1 1 1 7   46 2  o 57.33596 23.73405 78.30820       130.2809 168.9642       283.7218 54.08600       146.6565 74.82278 33.02722 56.65127 24.38854 18.17151       41.05604 
1 1 1 7   46 3  o 48.74147 22.34682 -38.15403      144.6529 -42.61991      268.1427 -36.32089      171.7948 62.42583 29.23435 52.71609 24.23688 9.709740       37.97465 
1 1 1 7   46 4  o 88.62329 26.47619 303.8421       148.1360 428.4908       243.4668 230.5714       186.6642 96.72335 34.28328 77.23325 29.53985 19.49010       45.25424 
1 1 1 7   46 5  o 165.0991 15.74978 880.5454       150.6541 1129.795       238.4055 714.8436       194.3848 177.9448 23.41183 140.0002 24.57038 37.94463       33.93843 
1 1 1 7   46 6  o 72.78259 26.61618 196.1475       148.0992 90.16779       224.2473 278.1302       197.2318 66.32317 29.31495 82.28262 30.60486 -15.95946      42.37951 
1 1 1 7   46 7  o 57.34082 24.30913 68.54974       141.7346 -60.16113      225.2013 152.9733       182.3875 57.35189 26.83658 68.77169 28.23543 -11.41980      38.95435 
1 1 1 7   46 8  o 40.90967 19.54916 -123.8066      131.9235 -372.7698      245.3533 -22.55734      156.4661 47.60050 23.56768 51.38096 23.43718 -3.780464      33.23758 
1 1 1 8   0  0  o 564.4921 14.12170 9377.212       466.8537 9377.212       466.8537 9377.212       466.8537 564.4921 14.12170 564.4921 14.12170 0.000000       0.000000 
1 1 1 8   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  2  o 388.8930 15.89728 4466.959       361.1996 4466.959       361.1996 4466.959       361.1996 388.8930 15.89728 388.8930 15.89728 0.000000       0.000000 
1 1 1 8   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  7  o 722.0895 18.22354 15374.27       770.6354 15374.27       770.6354 15374.27       770.6354 722.0895 18.22354 722.0895 18.22354 0.000000       0.000000 
1 1 1 8   0  8  o 48.46483 28.02314 85.91843       129.1093 85.91843       129.1093 85.91843       129.1093 48.46483 28.02314 48.46483 28.02314 0.000000       0.000000 
1 1 1 8   0  9  o 329.8815 11.24136 3205.844       216.9109 3205.844       216.9109 3205.844       216.9109 329.8815 11.24136 329.8815 11.24136 0.000000       0.000000 
1 1 1 8   0  10 o 275.8080 11.30091 2244.054       182.0986 2244.054       182.0986 2244.054       182.0986 275.8080 11.30091 275.8080 11.30091 0.000000       0.000000 
1 1 1 8   0  11 o 1640.755 27.60009 79393.97       2654.162 79393.97       2654.162 79393.97       2654.162 1640.755 27.60009 1640.755 27.60009 0.000000       0.000000 
1 1 1 8   0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  14 o 116.7181 16.01040 421.8770       103.7463 421.8770       103.7463 421.8770       103.7463 116.7181 16.01040 116.7181 16.01040 0.000000       0.000000 
1 1 1 8   0  15 o 266.2932 8.888611 2087.143       138.4667 2087.143       138.4667 2087.143       138.4667 266.2932 8.888611 266.2932 8.888611 0.000000       0.000000 
1 1 1 8   0  16 o 359.8057 9.390580 3805.700       197.8526 3805.700       197.8526 3805.700       197.8526 359.8057 9.390580 359.8057 9.390580 0.000000       0.000000 
1 1 1 8   0  17 o 305.2920 10.36159 2744.057       185.0357 2744.057       185.0357 2744.057       185.0357 305.2920 10.36159 305.2920 10.36159 0.000000       0.000000 
1 1 1 8   0  18 o 529.1893 10.82400 8227.646       335.6134 8227.646       335.6134 8227.646       335.6134 529.1893 10.82400 529.1893 10.82400 0.000000       0.000000 
1 1 1 8   0  19 o 339.3018 9.951694 3386.693       197.6456 3386.693       197.6456 3386.693       197.6456 339.3018 9.951694 339.3018 9.951694 0.000000       0.000000 
1 1 1 8   0  20 o 194.3619 11.80750 1121.009       133.4426 1121.009       133.4426 1121.009       133.4426 194.3619 11.80750 194.3619 11.80750 0.000000       0.000000 
1 1 1 8   0  21 o 684.8248 12.39181 13782.83       497.3291 13782.83       497.3291 13782.83       497.3291 684.8248 12.39181 684.8248 12.39181 0.000000       0.000000 
1 1 1 8   0  22 o 736.1582 13.18165 15932.53       568.6925 15932.53       568.6925 15932.53       568.6925 736.1582 13.18165 736.1582 13.18165 0.000000       0.000000 
1 1 1 8   0  23 o 302.3123 9.307179 2690.103       164.6610 2690.103       164.6610 2690.103       164.6610 302.3123 9.307179 302.3123 9.307179 0.000000       0.000000 
1 1 1 8   0  24 o 219.6252 10.32390 1425.686       132.3051 1425.686       132.3051 1425.686       132.3051 219.6252 10.32390 219.6252 10.32390 0.000000       0.000000 
1 1 1 8   0  25 o 335.2066 8.801231 3305.489       172.7545 3305.489       172.7545 3305.489       172.7545 335.2066 8.801231 335.2066 8.801231 0.000000       0.000000 
1 1 1 8   0  26 o 377.8350 8.736782 4198.331       193.3657 4198.331       193.3657 4198.331       193.3657 377.8350 8.736782 377.8350 8.736782 0.000000       0.000000 
1 1 1 8   0  27 f 433.0351 9.219088 5515.020       233.8929 5515.020       233.8929 5515.020       233.8929 433.0351 9.219088 433.0351 9.219088 0.000000       0.000000 
1 1 1 8   0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  29 o 62.91398 25.99122 164.5627       95.14851 164.5627       95.14851 164.5627       95.14851 62.91398 25.99122 62.91398 25.99122 0.000000       0.000000 
1 1 1 8   0  30 o 80.62653 23.14398 233.8744       94.86839 233.8744       94.86839 233.8744       94.86839 80.62653 23.14398 80.62653 23.14398 0.000000       0.000000 
1 1 1 8   0  31 o 30.18217 20.04517 -25.62609      94.42616 -25.62609      94.42616 -25.62609      94.42616 30.18217 20.04517 30.18217 20.04517 0.000000       0.000000 
1 1 1 8   0  32 o 135.7154 16.16389 565.6948       123.8456 565.6948       123.8456 565.6948       123.8456 135.7154 16.16389 135.7154 16.16389 0.000000       0.000000 
1 1 1 8   0  33 o 260.9758 10.29375 2011.503       156.9942 2011.503       156.9942 2011.503       156.9942 260.9758 10.29375 260.9758 10.29375 0.000000       0.000000 
1 1 1 8   0  34 o 100.1387 23.83094 342.7272       121.4621 342.7272       121.4621 342.7272       121.4621 100.1387 23.83094 100.1387 23.83094 0.000000       0.000000 
1 1 1 8   0  35 o 147.3725 16.03525 663.7203       134.4345 663.7203       134.4345 663.7203       134.4345 147.3725 16.03525 147.3725 16.03525 0.000000       0.000000 
1 1 1 8   0  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  37 o 132.9993 19.18159 556.4230       140.5821 556.4230       140.5821 556.4230       140.5821 132.9993 19.18159 132.9993 19.18159 0.000000       0.000000 
1 1 1 8   0  38 o 186.2296 14.99063 1045.775       161.2097 1045.775       161.2097 1045.775       161.2097 186.2296 14.99063 186.2296 14.99063 0.000000       0.000000 
1 1 1 8   0  39 o 177.3522 16.71612 958.5796       170.1094 958.5796       170.1094 958.5796       170.1094 177.3522 16.71612 177.3522 16.71612 0.000000       0.000000 
1 1 1 8   0  40 o 61.49333 32.14452 172.5233       151.9751 172.5233       151.9751 172.5233       151.9751 61.49333 32.14452 61.49333 32.14452 0.000000       0.000000 
1 1 1 8   0  41 o 97.40134 27.87142 350.1486       137.9801 350.1486       137.9801 350.1486       137.9801 97.40134 27.87142 97.40134 27.87142 0.000000       0.000000 
1 1 1 8   0  42 o 150.1589 17.23837 702.2070       146.6263 702.2070       146.6263 702.2070       146.6263 150.1589 17.23837 150.1589 17.23837 0.000000       0.000000 
1 1 1 8   0  43 o 36.04698 23.57191 -5.088842      122.9178 -5.088842      122.9178 -5.088842      122.9178 36.04698 23.57191 36.04698 23.57191 0.000000       0.000000 
1 1 1 8   0  44 o 53.77058 29.54372 133.4332       134.2876 133.4332       134.2876 133.4332       134.2876 53.77058 29.54372 53.77058 29.54372 0.000000       0.000000 
1 1 1 8   0  45 o 121.2323 21.14820 486.7225       136.6750 486.7225       136.6750 486.7225       136.6750 121.2323 21.14820 121.2323 21.14820 0.000000       0.000000 
1 1 1 8   0  46 o 38.39523 25.10347 1.748268       139.3282 1.748268       139.3282 1.748268       139.3282 38.39523 25.10347 38.39523 25.10347 0.000000       0.000000 
1 1 1 8   0  47 o 97.47010 30.38261 375.9230       152.2385 375.9230       152.2385 375.9230       152.2385 97.47010 30.38261 97.47010 30.38261 0.000000       0.000000 
1 1 1 8   0  48 o 150.6997 20.26324 737.1511       170.0001 737.1511       170.0001 737.1511       170.0001 150.6997 20.26324 150.6997 20.26324 0.000000       0.000000 
1 1 1 8   0  49 o 75.56766 35.16478 284.5898       173.0558 284.5898       173.0558 284.5898       173.0558 75.56766 35.16478 75.56766 35.16478 0.000000       0.000000 
1 1 1 8   0  50 o 46.11621 30.35694 18.12307       209.0005 18.12307       209.0005 18.12307       209.0005 46.11621 30.35694 46.11621 30.35694 0.000000       0.000000 
1 1 1 8   1  0  o 746.3071 14.50611 16391.02       634.9200 16757.56       1116.811 16215.98       771.7747 751.4378 25.37814 741.6561 17.74342 9.781677       30.96577 
1 1 1 8   1  1  o 734.1895 17.56262 15890.97       756.2199 16242.13       1085.621 15559.96       1053.994 739.8158 25.05712 724.1651 24.85387 15.65070       35.29269 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   1  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   1  7  o 460.5923 13.30481 6250.012       359.0215 6250.012       359.0215 0.000000       0.000000 460.5923 13.30481 ?        ?        0.000000       13.30481 
1 1 1 8   1  8  o 873.9161 15.11218 22500.05       774.5463 22477.05       1093.573 22523.20       1097.183 871.4366 21.39743 872.3121 21.44651 -0.8755493     30.29527 
1 1 1 8   1  9  o 208.3564 8.602736 1276.891       104.8960 1202.236       148.3596 1351.516       148.3310 201.8011 12.59834 214.0853 11.86029 -12.28419      17.30273 
1 1 1 8   1  10 o 531.9780 9.972395 8311.229       311.1313 8644.818       459.0865 8027.857       423.1227 541.9069 14.45798 522.2852 13.82579 19.62170       20.00464 
1 1 1 8   1  11 o 276.3969 7.179925 2243.177       116.2882 2259.949       219.5327 2236.635       137.1032 276.9601 13.55666 275.9207 8.482599 1.039398       15.99180 
1 1 1 8   1  12 o 1642.354 19.49351 79421.92       1877.618 77239.88       2554.453 81986.33       2769.239 1616.618 26.94263 1664.846 28.36194 -48.22754      39.11911 
1 1 1 8   1  13 o 332.3840 8.152850 3241.775       158.9279 3094.363       218.9004 3406.093       231.1125 324.4302 11.52298 340.3943 11.59378 -15.96408      16.34609 
1 1 1 8   1  14 o 490.7932 6.840048 7066.585       196.8830 7305.284       288.5248 6858.584       269.3339 498.8945 9.861066 483.4168 9.499895 15.47769       13.69265 
1 1 1 8   1  15 o 277.6765 7.087008 2263.557       115.3181 2024.040       181.6821 2425.157       149.2330 262.2802 11.84180 287.3352 8.866362 -25.05505      14.79326 
1 1 1 8   1  16 o 1274.388 15.26178 47735.82       1140.663 48216.97       1641.040 47286.06       1586.619 1279.212 21.87389 1266.947 21.35324 12.26563       30.56841 
1 1 1 8   1  17 o 545.6060 7.709031 8734.806       246.6774 8892.538       356.6522 8590.151       341.5471 550.3268 11.05029 540.9069 10.76657 9.419983       15.42816 
1 1 1 8   1  18 o 473.4895 7.371257 6578.251       204.6927 6444.893       286.1776 6717.947       292.8979 468.5209 10.41493 478.3416 10.44065 -9.820679      14.74713 
1 1 1 8   1  19 o 486.8701 7.252945 6955.534       207.0990 7048.512       296.3293 6866.759       289.5527 489.9500 10.31270 483.5982 10.20922 6.351807       14.51137 
1 1 1 8   1  20 o 454.0907 6.951379 6050.537       185.1246 5937.559       259.3550 6167.890       264.3272 449.6819 9.834190 458.3211 9.833803 -8.639130      13.90737 
1 1 1 8   1  21 o 509.2287 7.245093 7610.497       216.3751 7492.941       302.5505 7733.572       309.5716 505.0701 10.21400 513.1098 10.28727 -8.039734      14.49668 
1 1 1 8   1  22 o 246.2804 6.855097 1781.555       98.91708 1754.275       141.4527 1807.661       138.3777 244.1656 9.898690 247.8894 9.536047 -3.723831      13.74483 
1 1 1 8   1  23 o 401.7260 6.491581 4736.728       152.9435 4608.997       211.8908 4875.658       220.9851 396.0957 9.121400 407.3825 9.249327 -11.28683      12.99038 
1 1 1 8   1  24 o 182.9963 7.641521 985.1499       81.83061 1081.210       120.1733 902.1010       111.7384 191.4396 10.74664 174.7886 10.95541 16.65097       15.34638 
1 1 1 8   1  25 o 360.2352 6.227426 3809.704       131.5665 3806.501       185.0997 3812.975       187.0416 359.8808 8.769938 360.1788 8.854613 -0.2979736     12.46258 
1 1 1 8   1  26 o 518.0673 7.166779 7884.000       217.7513 8075.748       315.3945 7709.351       301.0030 523.8521 10.26585 511.8724 10.02671 11.97968       14.35001 
1 1 1 8   1  27 o 375.8795 7.460406 4151.710       164.4605 3828.431       289.9751 4305.007       199.6821 359.7876 13.76785 382.5870 8.899353 -22.79941      16.39366 
1 1 1 8   1  28 o 103.0239 11.62833 316.9095       69.03341 282.9801       96.94698 351.8094       98.32355 96.11112 17.85643 107.8185 16.03692 -11.70741      24.00073 
1 1 1 8   1  29 o 282.9371 6.594376 2352.068       109.4244 2353.981       172.9128 2350.789       141.3221 282.4442 10.45669 282.5460 8.538253 -0.1017761     13.49978 
1 1 1 8   1  30 o 159.9110 8.111179 754.0735       75.82146 763.9546       108.6871 744.7059       105.8256 160.4891 11.62616 158.4690 11.46416 2.020142       16.32772 
1 1 1 8   1  31 o 223.0423 6.903615 1463.425       90.19682 1611.820       130.9317 1329.400       124.4315 233.7574 9.570804 212.1909 10.02729 21.56656       13.86170 
1 1 1 8   1  32 o 281.9200 6.983651 2335.853       115.4673 2333.040       161.8307 2338.770       164.8007 281.2730 9.825386 281.5912 9.994906 -0.3181763     14.01558 
1 1 1 8   1  33 o 389.4381 6.804555 4457.119       155.4135 4474.652       221.4554 4440.105       218.1574 389.7630 9.688021 388.2747 9.580330 1.488373       13.62499 
1 1 1 8   1  34 o 138.6769 10.73878 570.6907       86.65923 659.0596       125.9247 491.1868       119.4415 148.3823 14.66175 127.5349 16.34412 20.84740       21.95671 
1 1 1 8   1  35 o 261.8767 10.50132 2027.285       160.9568 1821.219       185.7670 2647.887       322.3824 247.6894 12.83198 296.9307 18.60605 -49.24123      22.60188 
1 1 1 8   1  36 o 143.5814 11.81319 614.2769       98.59631 688.5062       143.5664 548.0147       135.6432 150.9931 16.47952 134.2092 17.66138 16.78387       24.15573 
1 1 1 8   1  37 o 198.6221 9.154154 1166.557       106.3474 1206.120       152.7663 1129.355       148.1364 201.1245 13.02124 194.5837 13.05647 6.540863       18.43974 
1 1 1 8   1  38 o 50.34686 20.84802 24.96272       100.5704 -40.01207      151.4439 76.22147       134.5127 54.05273 23.98090 62.86731 24.78467 -8.814575      34.48715 
1 1 1 8   1  39 o 333.0534 7.711623 3271.434       150.6295 3338.229       216.7643 3209.060       209.4678 335.2574 11.03955 328.7607 10.87891 6.496765       15.49911 
1 1 1 8   1  40 f 49.29185 20.41331 26.44667       96.43411 -58.52708      137.0069 109.8789       135.7585 49.18945 22.23675 66.62920 25.26144 -17.43975      33.65432 
1 1 1 8   1  41 o 45.46083 19.70315 -3.927852      96.99866 -141.5392      136.6626 135.7742       137.6969 43.04227 20.37503 69.75462 25.63890 -26.71235      32.74897 
1 1 1 8   1  42 o 44.36453 19.15564 -0.4395372E-02 90.99481 77.69804       132.3083 -69.74421      125.3459 61.15866 24.42867 45.34698 20.79483 15.81168       32.08092 
1 1 1 8   1  43 o 80.27741 20.48394 210.9594       96.74348 361.7567       142.9259 83.44814       131.4281 103.9498 23.93872 61.43229 24.40995 42.51753       34.18930 
1 1 1 8   1  44 o 70.42036 21.01932 162.4270       93.39771 95.25681       143.5731 211.7062       122.9749 63.86243 25.46777 79.33702 24.21532 -15.47459      35.14241 
1 1 1 8   1  45 o 186.5133 9.463635 1043.679       103.1802 1148.177       152.4057 955.2547       140.1956 193.4240 13.52022 176.2659 13.66848 17.15819       19.22560 
1 1 1 8   1  46 o 85.06369 20.05024 241.5001       98.38039 126.2904       140.3285 352.8592       137.9635 66.43464 25.56083 101.1387 23.67926 -34.70404      34.84341 
1 1 1 8   1  47 f 98.15548 19.44104 319.7248       107.9545 180.3172       150.8634 466.0182       154.5444 73.56664 26.86964 116.1907 23.48802 -42.62405      35.68844 
1 1 1 8   1  48 o 46.34164 20.52095 -8.607155      110.3799 -22.34240      158.5048 4.325277       153.8028 53.26661 24.01374 54.67679 24.21707 -1.410175      34.10464 
1 1 1 8   1  49 o 66.89759 24.54558 146.2627       126.1148 170.9888       178.8616 121.8158       177.8491 72.61743 28.59481 67.51221 27.81728 5.105225       39.89316 
1 1 1 8   1  50 o 61.39454 24.85281 97.58181       138.9139 194.4424       203.0058 12.28921       190.4980 75.76880 30.26109 59.40478 26.58967 16.36402       40.28329 
1 1 1 8   2  0  o 664.5732 13.12020 12990.35       511.3684 13040.61       886.4186 12965.29       626.0479 663.4504 22.81532 663.4266 16.09030 0.2380371E-01  27.91839 
1 1 1 8   2  1  o 288.3944 14.52759 2454.274       244.9232 0.000000       0.000000 2454.274       244.9232 ?        ?        288.3944 14.52759 0.000000       14.52759 
1 1 1 8   2  2  o 275.1389 14.09211 2233.872       226.6364 2233.872       226.6364 0.000000       0.000000 275.1389 14.09211 ?        ?        0.000000       14.09211 
1 1 1 8   2  3  f 254.2053 14.39769 1908.776       213.7710 1908.776       213.7710 0.000000       0.000000 254.2053 14.39769 ?        ?        0.000000       14.39769 
1 1 1 8   2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   2  7  o 618.7156 15.95469 11294.42       578.4523 11294.42       578.4523 0.000000       0.000000 618.7156 15.95469 ?        ?        0.000000       15.95469 
1 1 1 8   2  8  o 134.8050 12.53894 539.1279       97.99612 462.4135       134.1222 626.9824       143.5305 123.7142 19.09975 144.7920 17.24066 -21.07774      25.73015 
1 1 1 8   2  9  o 1148.313 19.52230 38927.29       1314.746 38239.82       1812.480 39690.75       1910.015 1134.543 27.23966 1155.337 28.18887 -20.79395      39.19963 
1 1 1 8   2  10 o 180.6569 8.858590 960.4438       93.57144 1027.339       136.5022 901.1453       128.5183 186.5386 12.55034 174.6431 12.63306 11.89549       17.80745 
1 1 1 8   2  11 o 832.4710 10.22999 20347.93       499.4535 20140.58       696.7368 20567.12       716.3387 827.7007 14.35307 836.3818 14.60371 -8.681091      20.47631 
1 1 1 8   2  12 o 293.7025 6.033005 2530.485       103.9182 2474.410       147.2829 2586.074       146.6444 290.2416 8.662202 296.7366 8.434991 -6.494934      12.09061 
1 1 1 8   2  13 o 1156.993 13.87270 39326.89       941.3305 38967.56       1312.419 39707.61       1350.900 1150.664 19.44793 1161.454 19.83219 -10.79041      27.77657 
1 1 1 8   2  14 o 468.3751 6.718105 6435.662       184.5402 6438.411       260.3828 6432.888       261.5800 468.3763 9.479094 468.1734 9.526806 0.2029419      13.43924 
1 1 1 8   2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   2  16 o 553.6216 7.653292 8993.008       248.4916 9000.625       352.4017 8985.475       350.4470 553.6896 10.85228 553.2265 10.80112 0.4630737      15.31131 
1 1 1 8   2  17 o 1192.648 14.35510 41802.44       1004.082 41687.32       1413.421 41919.73       1426.643 1189.708 20.25725 1192.985 20.39059 -3.277222      28.74252 
1 1 1 8   2  18 o 583.1409 8.060494 9979.110       275.6676 9718.875       379.1780 10270.86       401.4832 575.2844 11.23854 591.3694 11.57599 -16.08502      16.13407 
1 1 1 8   2  19 o 315.5955 6.955778 2922.437       128.7440 2883.051       183.8039 2960.372       180.3872 313.2001 10.01939 317.3987 9.701979 -4.198578      13.94692 
1 1 1 8   2  20 o 864.8641 10.64557 21968.51       539.9670 21965.49       763.6851 21971.53       763.5724 864.1224 15.06914 864.2418 15.06484 -0.1193848     21.30794 
1 1 1 8   2  21 o 691.5987 8.834781 14043.70       358.3442 14063.13       508.0620 14024.47       505.4983 691.6327 12.52537 690.6879 12.47922 0.9447632      17.68095 
1 1 1 8   2  22 o 342.8744 6.455902 3450.127       129.8203 3481.340       186.1767 3420.588       181.1150 344.1561 9.232340 341.1526 9.060243 3.003479       12.93538 
1 1 1 8   2  23 o 422.6002 6.615125 5242.011       163.9526 5264.342       232.9602 5220.095       230.7830 423.2932 9.384040 421.5147 9.335566 1.778473       13.23680 
1 1 1 8   2  24 o 116.5229 11.20734 403.0859       75.64516 363.5544       106.4892 443.3522       107.4744 109.6569 17.11740 121.6369 15.41109 -11.97996      23.03274 
1 1 1 8   2  25 o 529.1743 7.258476 8224.370       225.2655 8142.474       313.9340 8311.293       323.4251 526.1335 10.17400 531.5269 10.37523 -5.393433      14.53120 
1 1 1 8   2  26 o 304.7591 7.383206 2728.606       131.9630 2938.557       259.6442 2655.485       153.2294 315.1881 14.08174 300.4140 8.706221 14.77411       16.55577 
1 1 1 8   2  27 o 297.3058 5.992664 2595.480       104.4898 2613.861       149.4356 2577.897       146.1606 298.0245 8.558578 295.9815 8.428641 2.043030       12.01213 
1 1 1 8   2  28 o 340.4144 5.984399 3403.241       119.4755 3231.483       164.3379 3595.799       174.0039 331.3558 8.463468 349.6456 8.485559 -18.28976      11.98478 
1 1 1 8   2  29 o 331.7362 6.025366 3232.345       117.2268 3180.478       167.8555 3281.728       163.7868 328.6558 8.716198 333.9029 8.370487 -5.247040      12.08458 
1 1 1 8   2  30 o 34.56014 15.58589 -34.27756      66.83778 19.43552       90.26673 -99.46784      99.44412 47.72351 19.75549 37.92508 17.77426 9.798431       26.57449 
1 1 1 8   2  31 o 291.7357 6.475472 2500.614       110.7928 2454.897       156.0659 2547.063       157.3109 288.6208 9.231851 294.0094 9.134280 -5.388641      12.98700 
1 1 1 8   2  32 o 39.73915 17.88232 -42.09843      87.43648 42.18024       128.7220 -114.2977      119.1408 58.44252 23.82524 41.79355 19.54444 16.64897       30.81602 
1 1 1 8   2  33 o 128.2578 12.51736 490.4957       92.95885 511.5317       136.3463 472.2244       127.0706 129.8006 18.42817 124.7467 17.87910 5.053902       25.67605 
1 1 1 8   2  34 o 41.27604 18.26124 -26.57703      87.21590 -71.20276      129.3625 10.61064       118.0906 47.34582 21.48473 52.65000 22.24860 -5.304180      30.92885 
1 1 1 8   2  35 o 204.3696 8.550375 1232.214       102.2567 1190.382       148.5465 1269.891       140.9758 200.1270 12.72215 206.9444 11.66277 -6.817413      17.25900 
1 1 1 8   2  36 o 189.1315 9.691494 1058.401       107.1407 1142.025       150.8313 973.2328       152.2180 195.7471 13.21596 180.3230 14.51599 15.42416       19.63099 
1 1 1 8   2  37 o 135.3130 12.54558 547.7621       98.42538 571.1516       136.0472 522.0756       142.5709 137.0087 17.31751 130.3497 19.22619 6.659012       25.87552 
1 1 1 8   2  38 o 72.67702 21.24996 164.1022       96.27217 450.1656       143.8971 -67.69707      129.5320 120.0839 21.20752 47.31752 21.48252 72.76643       30.18704 
1 1 1 8   2  39 o 262.7327 8.323574 2039.844       128.0932 2137.468       187.8064 1954.927       175.1568 267.8597 11.98544 256.2440 11.68605 11.61569       16.73960 
1 1 1 8   2  40 o 29.69320 14.73050 -226.5489      97.63587 -306.7732      136.1027 -141.4923      140.1418 35.19579 17.44836 44.02898 20.77906 -8.833187      27.13327 
1 1 1 8   2  41 o 102.9455 17.39116 332.1881       101.2628 212.1178       136.8913 477.2927       150.4868 80.99949 25.68223 121.8873 21.85468 -40.88779      33.72245 
1 1 1 8   2  42 f 91.23419 18.83872 266.7672       97.45942 299.0758       142.5350 238.3996       133.5593 94.34025 25.25989 84.66502 25.10231 9.675224       35.61163 
1 1 1 8   2  43 o 59.89661 21.58902 102.0940       96.96283 -16.83445      147.0787 193.5173       128.9542 53.56815 23.70609 76.92512 24.97994 -23.35697      34.43800 
1 1 1 8   2  44 o 33.03046 15.87687 -120.6712      89.88756 -14.86983      135.8695 -203.0208      119.8691 51.41463 22.76738 35.59457 17.39114 15.82005       28.64970 
1 1 1 8   2  45 o 128.2532 12.87524 505.2180       95.53577 501.6992       145.9413 507.8566       126.3768 123.5025 20.89323 126.2446 17.54212 -2.742119      27.28100 
1 1 1 8   2  46 o 157.5976 11.13436 754.4575       102.2494 808.6600       148.4173 705.4904       141.0674 160.3243 15.99800 149.4322 16.36379 10.89211       22.88470 
1 1 1 8   2  47 f 46.97057 20.34924 8.778719       103.3796 -9.787557      149.8903 25.62320       142.7710 53.21087 23.71733 55.22741 23.92019 -2.016537      33.68512 
1 1 1 8   2  48 o 60.58980 22.80795 108.1152       110.2145 91.21535       157.2842 124.4192       154.4871 63.12729 26.09965 66.45708 26.44582 -3.329788      37.15607 
1 1 1 8   2  49 o 84.98244 23.97368 258.8566       124.6430 60.22465       177.0173 454.1775       175.5358 61.82343 26.70586 110.4140 27.27067 -48.59060      38.16926 
1 1 1 8   2  50 o 170.1118 14.30004 909.7213       141.3470 857.8063       213.1700 950.4562       188.8264 156.2221 24.03588 169.3554 19.35875 -13.13330      30.86234 
1 1 1 8   3  0  o 694.3665 13.63470 14187.61       555.2451 13914.53       944.9423 14331.61       686.2046 684.9019 23.55990 697.2586 16.78067 -12.35669      28.92507 
1 1 1 8   3  1  o 379.1224 10.91075 4227.898       242.3441 4238.940       338.1675 4216.241       347.4746 379.0612 15.24258 377.9727 15.70941 1.088562       21.88885 
1 1 1 8   3  2  o 207.2965 10.14475 1265.694       122.9597 1212.095       171.5770 1322.286       176.3019 202.3656 14.55399 211.4410 14.30145 -9.075424      20.40466 
1 1 1 8   3  3  o 400.7044 15.88078 4740.462       372.4651 4740.462       372.4651 0.000000       0.000000 400.7044 15.88078 ?        ?        0.000000       15.88078 
1 1 1 8   3  4  f 39.94511 18.94430 -145.0513      119.2086 -145.0513      119.2086 0.000000       0.000000 39.94511 18.94430 ?        ?        0.000000       18.94430 
1 1 1 8   3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   3  6  o 455.5288 13.08247 6112.811       349.1452 6112.811       349.1452 0.000000       0.000000 455.5288 13.08247 ?        ?        0.000000       13.08247 
1 1 1 8   3  7  o 114.5175 19.87845 398.6948       128.6675 398.6948       128.6675 0.000000       0.000000 114.5175 19.87845 ?        ?        0.000000       19.87845 
1 1 1 8   3  8  o 709.2805 17.84028 14851.47       741.5244 14851.47       741.5244 0.000000       0.000000 709.2805 17.84028 ?        ?        0.000000       17.84028 
1 1 1 8   3  9  o 486.6422 7.772936 6951.491       221.8428 6868.099       373.3807 6996.991       275.8015 483.0786 13.19138 488.1003 9.634673 -5.021729      16.33522 
1 1 1 8   3  10 o 592.8311 8.877523 10317.25       308.6550 10197.01       524.8728 10380.80       381.6116 588.5401 15.21921 594.4830 10.94540 -5.942871      18.74636 
1 1 1 8   3  11 o 177.7761 8.120161 929.4135       84.43845 849.9583       142.1257 972.7578       104.9729 169.4319 14.44049 181.7617 9.884665 -12.32979      17.49955 
1 1 1 8   3  12 o 1168.989 19.84781 40234.54       1360.735 0.000000       0.000000 40234.54       1360.735 ?        ?        1168.989 19.84781 0.000000       19.84781 
1 1 1 8   3  13 o 785.5697 9.747274 18112.73       449.0746 18129.82       635.9454 18095.73       634.2327 785.5825 13.80313 784.8459 13.77887 0.7365723      19.50343 
1 1 1 8   3  14 o 1308.998 15.63347 50362.12       1200.175 50243.04       1691.979 50482.72       1702.680 1305.944 22.09122 1309.032 22.17851 -3.087402      31.30349 
1 1 1 8   3  15 o 825.8760 10.20928 20021.34       494.4934 19592.90       677.4711 20509.89       723.4273 816.6088 14.14576 835.4266 14.76509 -18.81787      20.44775 
1 1 1 8   3  16 o 723.0944 10.67214 15350.34       452.5816 14523.66       726.6230 15874.33       578.5001 702.4234 17.65240 735.0832 13.41888 -32.65979      22.17372 
1 1 1 8   3  17 o 49.57713 21.09691 -0.5906038     107.4402 167.5452       160.8073 -136.1672      144.4003 79.85453 27.89851 46.47666 21.66242 33.37787       35.32121 
1 1 1 8   3  18 o 325.4367 7.463238 3107.674       142.4441 3114.288       202.0450 3101.138       200.8530 325.5038 10.59792 324.8181 10.55759 0.6856995      14.95923 
1 1 1 8   3  19 o 821.4252 10.25201 19812.32       493.8868 19657.69       691.9874 19972.89       705.1206 817.6792 14.42995 824.1848 14.58775 -6.505554      20.51891 
1 1 1 8   3  20 o 596.0633 7.970860 10427.91       278.6429 10364.40       390.4028 10493.87       397.8232 593.9833 11.20697 597.6683 11.34957 -3.684998      15.95020 
1 1 1 8   3  21 f 413.5369 6.683973 5018.487       162.1061 5456.313       249.6599 4699.351       213.1502 431.0087 9.876705 400.0457 9.085012 30.96298       13.41964 
1 1 1 8   3  22 o 484.6205 7.021268 6893.495       199.5574 7202.077       296.7678 6638.795       269.6156 495.0839 10.22086 475.3796 9.670612 19.70422       14.07078 
1 1 1 8   3  23 o 210.6877 7.340165 1304.813       90.55901 1416.011       134.2047 1211.854       122.7060 219.2297 10.46825 202.7836 10.35194 16.44609       14.72233 
1 1 1 8   3  24 o 413.5794 7.688097 5023.562       186.4783 4828.480       215.8889 5596.814       370.0799 405.3455 9.081435 435.4383 14.51194 -30.09280      17.11926 
1 1 1 8   3  25 o 408.7621 6.463282 4905.842       154.9438 4865.128       217.0038 4948.187       221.3067 406.8092 9.095490 410.2554 9.197924 -3.446198      12.93560 
1 1 1 8   3  26 o 391.1062 6.348345 4491.729       145.6149 4457.328       206.2072 4525.946       205.6550 389.3289 9.031017 392.3255 8.938037 -2.996613      12.70621 
1 1 1 8   3  27 o 150.2673 8.473603 666.0516       74.37381 591.3882       108.1486 733.0463       102.4440 140.9325 13.23962 157.3423 11.17445 -16.40974      17.32500 
1 1 1 8   3  28 o 186.8059 7.246290 1027.124       79.23779 1079.825       120.8394 987.3704       104.9511 191.1167 10.82527 182.8606 9.822300 8.256134       14.61725 
1 1 1 8   3  29 o 47.20345 17.98147 46.60146       68.98671 76.71502       100.7767 20.04572       94.63643 58.19296 21.82996 48.81342 20.21930 9.379543       29.75512 
1 1 1 8   3  30 o 249.8531 6.753308 1835.828       98.86745 1796.260       135.9433 1880.254       144.0478 246.8110 9.408900 252.4730 9.746698 -5.662033      13.54716 
1 1 1 8   3  31 o 44.90484 18.36732 22.04050       76.81352 41.21911       107.5247 2.051997       109.7716 54.30348 21.90722 49.99535 21.30139 4.308136       30.55610 
1 1 1 8   3  32 o 308.1047 7.677638 2791.217       138.7319 2812.444       214.5049 2775.953       181.8961 308.4691 11.87921 306.7903 10.12340 1.678741       15.60766 
1 1 1 8   3  33 o 41.50657 18.15056 -17.03367      83.87809 -49.15947      117.9357 15.85039       119.3194 46.68122 20.90599 53.55615 22.48228 -6.874928      30.70038 
1 1 1 8   3  34 o 116.4499 12.59783 405.5832       84.66874 385.6975       121.6320 424.2777       117.9331 112.1016 19.19020 118.0940 17.56141 -5.992424      26.01283 
1 1 1 8   3  35 o 159.6366 9.799212 754.3757       91.30112 689.7210       133.3421 811.4427       125.2738 151.5870 15.20378 165.0057 13.05148 -13.41872      20.03736 
1 1 1 8   3  36 o 118.1405 13.39639 419.4410       91.18256 459.4710       129.6978 380.3191       128.2182 122.4218 18.65296 110.6579 20.51194 11.76385       27.72495 
1 1 1 8   3  37 o 138.1362 11.91026 569.6254       95.54797 689.9987       136.2074 453.0031       134.0684 151.2529 15.57739 121.1503 19.53326 30.10262       24.98406 
1 1 1 8   3  38 o 117.6346 14.11746 418.1705       95.45265 385.2285       141.5571 445.6378       129.2603 110.4394 22.61699 120.1409 18.97445 -9.701492      29.52216 
1 1 1 8   3  39 o 283.1530 7.755595 2366.746       128.6701 2225.096       179.0006 2518.190       185.0858 273.5616 11.18060 291.1608 10.85804 -17.59915      15.58534 
1 1 1 8   3  40 o 75.31859 25.61619 171.9518       135.2520 -96.51189      315.6128 232.3444       149.6938 73.53558 33.44351 85.10616 26.84012 -11.57058      42.88194 
1 1 1 8   3  41 o 178.4031 9.963804 949.8831       103.8363 892.1038       149.0188 1004.412       144.7669 170.9897 15.01228 182.0997 13.65475 -11.11005      20.29337 
1 1 1 8   3  42 o 170.7719 10.22696 873.2702       101.9575 870.0046       144.5758 876.5011       143.8066 168.5821 14.77202 169.2827 14.62829 -0.7006073     20.78941 
1 1 1 8   3  43 o 33.18964 15.93539 -120.2041      89.97006 -4.812031      132.8429 -217.9838      122.2855 52.10886 22.81311 35.55392 17.41229 16.55494       28.69888 
1 1 1 8   3  44 o 64.40664 21.31482 131.1681       93.69925 100.6872       140.5406 155.5580       125.7166 64.09518 25.31369 70.27472 24.65901 -6.179535      35.33907 
1 1 1 8   3  45 o 165.6330 9.876817 825.4179       95.50751 949.4633       142.8332 725.1041       128.4456 175.5103 13.99214 152.9785 14.48924 22.53177       20.14245 
1 1 1 8   3  46 o 87.81489 19.18200 255.0021       96.01875 483.9297       144.0587 71.99999       128.8008 120.5760 21.14220 58.49360 23.83762 62.08235       31.86259 
1 1 1 8   3  47 o 187.1005 10.48201 1060.740       114.5593 1080.812       173.1932 1045.127       152.7486 184.8837 16.13429 183.1846 14.33199 1.699173       21.58057 
1 1 1 8   3  48 o 90.86526 20.70834 280.9773       107.8899 87.30968       157.5143 452.1428       148.0811 62.73134 26.04376 114.3626 22.87782 -51.63129      34.66514 
1 1 1 8   3  49 o 112.2928 20.90874 428.8898       132.6332 421.4886       169.3324 440.6386       213.3465 106.3778 27.07688 104.2529 31.90966 2.124916       41.84954 
1 1 1 8   3  50 o 147.2331 15.19640 688.8698       129.3358 759.6481       133.8187 -314.7532      503.9084 154.8807 14.91653 71.64602 35.14138 83.23469       38.17617 
1 1 1 8   4  0  o 933.6741 21.79893 25813.29       1193.661 25162.87       1652.861 26522.28       1725.675 916.9450 30.77929 941.0844 31.31015 -24.13934      43.90546 
1 1 1 8   4  1  o 860.6535 28.90214 22122.48       1456.774 0.000000       0.000000 22122.48       1456.774 ?        ?        860.6535 28.90214 0.000000       28.90214 
1 1 1 8   4  2  o 530.5607 13.40751 8291.053       416.8556 8340.899       590.5681 8241.559       588.4831 530.9792 18.99513 527.7921 19.04290 3.187134       26.89697 
1 1 1 8   4  3  o 126.3708 17.83554 480.6017       128.5144 480.6017       128.5144 0.000000       0.000000 126.3708 17.83554 ?        ?        0.000000       17.83554 
1 1 1 8   4  4  o 538.5887 19.41082 8588.132       612.1261 8588.132       612.1261 0.000000       0.000000 538.5887 19.41082 ?        ?        0.000000       19.41082 
1 1 1 8   4  5  o 506.6805 18.61180 7596.250       552.1212 7596.250       552.1212 0.000000       0.000000 506.6805 18.61180 ?        ?        0.000000       18.61180 
1 1 1 8   4  6  o 341.3391 12.02057 3431.453       240.2610 3431.453       240.2610 0.000000       0.000000 341.3391 12.02057 ?        ?        0.000000       12.02057 
1 1 1 8   4  7  o 676.6932 17.18083 13516.45       681.2950 13516.45       681.2950 0.000000       0.000000 676.6932 17.18083 ?        ?        0.000000       17.18083 
1 1 1 8   4  8  f 172.5204 9.668454 876.9883       97.43320 958.8552       139.7618 799.5810       135.9019 180.0493 13.33024 164.2145 14.25218 15.83484       19.51461 
1 1 1 8   4  9  o 767.0538 10.98386 17285.61       494.1188 17724.17       882.8195 17085.55       596.2637 774.9415 19.43996 762.2640 13.33775 12.67755       23.57557 
1 1 1 8   4  10 o 389.1260 8.351070 4444.252       190.5825 4459.935       277.4958 4430.251       262.2025 389.4233 12.16514 388.1814 11.53011 1.241913       16.76108 
1 1 1 8   4  11 o 849.8279 12.02484 21212.35       599.3228 20688.62       1001.354 21504.68       748.1121 837.9981 20.37484 855.2895 14.91431 -17.29138      25.25016 
1 1 1 8   4  12 o 420.2156 7.283340 5180.790       179.4954 4920.829       300.5819 5324.871       223.7756 409.1322 12.54186 425.9607 8.957620 -16.82855      15.41224 
1 1 1 8   4  13 o 1000.825 17.16928 29454.64       1007.769 0.000000       0.000000 29454.64       1007.769 ?        ?        1000.825 17.16928 0.000000       17.16928 
1 1 1 8   4  14 o 195.0206 8.627083 1118.246       98.42804 853.4047       167.3324 1258.362       121.7111 169.5104 17.06385 206.8094 10.06504 -37.29901      19.81111 
1 1 1 8   4  15 o 599.1647 11.26352 10540.45       395.7955 0.000000       0.000000 10540.45       395.7955 ?        ?        599.1647 11.26352 0.000000       11.26352 
1 1 1 8   4  16 o 342.0879 6.943341 3433.314       139.3018 3217.803       189.4236 3687.133       205.5705 330.9523 9.769982 354.2776 9.903596 -23.32529      13.91164 
1 1 1 8   4  17 o 226.7455 9.026535 1511.377       119.7958 1526.823       175.0448 1497.768       164.2990 227.5877 13.17071 225.4659 12.47381 2.121780       18.14011 
1 1 1 8   4  18 o 529.2188 7.726268 8218.617       239.8035 8158.804       336.9760 8279.986       341.3327 527.1046 10.90063 531.0005 10.96055 -3.895996      15.45825 
1 1 1 8   4  19 o 368.3134 6.934475 3980.390       149.7896 3940.186       213.4888 4019.371       210.2179 366.1934 9.949855 369.8758 9.699248 -3.682404      13.89514 
1 1 1 8   4  20 o 602.7727 8.090604 10664.61       286.0125 10636.93       404.0178 10692.41       404.9493 601.7006 11.44905 603.2681 11.44563 -1.567566      16.18899 
1 1 1 8   4  21 o 465.0128 6.917891 6346.128       188.6640 6337.070       270.0182 6354.769       263.7158 464.4790 9.912348 465.1465 9.667094 -0.6674500     13.84584 
1 1 1 8   4  22 o 308.8185 6.530698 2798.961       118.2806 2858.481       172.5146 2746.160       162.4837 311.7979 9.445027 305.6369 9.074752 6.160980       13.09808 
1 1 1 8   4  23 o 292.4128 6.408326 2509.718       109.8984 2717.362       165.3444 2345.389       147.0917 303.9698 9.285772 282.4148 8.891840 21.55505       12.85653 
1 1 1 8   4  24 o 144.9788 8.785030 619.8858       74.34561 738.1039       115.2801 535.7061       97.27839 157.8258 12.55797 134.3072 12.49325 23.51862       17.71395 
1 1 1 8   4  25 o 389.8596 6.260441 4462.385       143.1409 4619.121       209.2358 4324.498       196.2511 396.3893 9.000433 383.5688 8.724055 12.82059       12.53463 
1 1 1 8   4  26 o 354.4476 6.191921 3689.001       128.7146 3824.650       189.4026 3572.594       175.4564 360.6411 8.954889 348.5948 8.582183 12.04630       12.40338 
1 1 1 8   4  27 o 271.6982 7.828175 2171.626       124.6077 2320.365       148.4720 1817.240       229.1768 280.7104 9.030273 247.2353 15.88967 33.47502       18.27642 
1 1 1 8   4  28 o 190.4769 6.989902 1067.589       77.95192 1127.346       115.0106 1016.811       106.0189 195.3883 10.07063 185.5749 9.775707 9.813431       14.03503 
1 1 1 8   4  29 o 207.4730 7.252165 1266.821       88.10719 1252.950       128.3790 1279.173       121.1406 205.8994 10.66773 208.1529 9.952141 -2.253510      14.58922 
1 1 1 8   4  30 o 117.9728 11.78041 414.7762       80.41794 524.0688       118.8402 322.4557       109.2237 132.0381 15.65064 102.4646 18.87088 29.57352       24.51638 
1 1 1 8   4  31 o 169.3088 13.29594 852.5498       130.9643 867.0698       152.4365 811.6243       255.9196 170.3449 15.42544 161.3641 28.06070 8.980774       32.02104 
1 1 1 8   4  32 o 401.4763 6.990610 4737.149       164.5984 5022.431       245.5816 4504.472       221.7873 412.8766 10.14203 391.0915 9.669581 21.78503       14.01291 
1 1 1 8   4  33 o 56.45676 20.27779 81.18129       85.45518 120.0219       124.1621 46.22325       117.7930 68.06301 24.44300 56.87861 22.93531 11.18440       33.51848 
1 1 1 8   4  34 o 358.1949 6.691662 3771.505       140.5736 3762.166       198.6158 3780.879       198.9870 357.1891 9.489645 358.0782 9.483721 -0.8891296     13.41620 
1 1 1 8   4  35 o 186.5420 8.706062 1027.355       94.98377 1089.037       145.1306 981.1389       125.6254 191.2925 13.01381 181.7596 11.84960 9.532928       17.60035 
1 1 1 8   4  36 f 153.1094 10.53491 695.9526       94.02161 722.9123       136.1576 671.3801       129.9900 155.0660 15.16548 149.4168 15.03840 5.649277       21.35756 
1 1 1 8   4  37 o 136.2585 11.60414 553.9072       91.84994 416.7861       134.5183 673.6750       125.7186 115.7853 20.56294 149.7017 14.50068 -33.91640      25.16157 
1 1 1 8   4  38 o 113.2161 14.71155 388.8525       95.37476 325.9038       145.1239 436.7107       126.5387 100.9022 24.72145 118.9441 18.76076 -18.04193      31.03411 
1 1 1 8   4  39 o 156.8457 10.77121 733.0877       98.47885 708.9645       139.4623 757.0784       139.0787 152.8400 15.78542 158.1859 15.17740 -5.345917      21.89824 
1 1 1 8   4  40 o 190.7947 9.499998 1082.096       105.9673 1202.492       156.1447 979.3037       144.2786 199.8506 13.39948 180.1362 13.76101 19.71440       19.20707 
1 1 1 8   4  41 o 101.3760 22.71298 335.7251       131.6833 480.4981       322.9383 306.8525       144.2177 114.5398 39.56293 96.00478 25.27283 18.53498       46.94615 
1 1 1 8   4  42 o 143.4653 10.93034 619.2433       91.27451 579.2913       122.7547 668.6434       136.4999 136.9716 15.55642 147.0153 16.09409 -10.04362      22.38352 
1 1 1 8   4  43 o 99.00467 16.08151 307.9329       90.17426 478.0162       130.7574 153.6837       124.5222 122.5320 18.79447 70.39706 24.55296 52.13490       30.92054 
1 1 1 8   4  44 o 53.54032 20.74552 68.20475       92.91205 150.3946       134.6643 -6.466760      128.3574 70.00928 25.41368 50.75875 22.31705 19.25052       33.82167 
1 1 1 8   4  45 o 53.82272 20.41593 75.10908       88.69833 -11.05140      132.9353 144.2473       119.0818 50.90352 22.53166 67.71951 23.97901 -16.81598      32.90393 
1 1 1 8   4  46 o 89.20182 18.99259 262.6523       96.31019 292.4003       148.6858 241.1485       126.4147 90.40617 26.40133 83.14601 24.36137 7.260155       35.92362 
1 1 1 8   4  47 o 86.61512 19.40806 250.7918       96.13999 135.5898       143.6051 344.3635       129.4232 67.25053 25.86198 99.90969 22.61643 -32.65916      34.35615 
1 1 1 8   4  48 o 62.11749 25.33224 93.33367       145.5821 56.95068       157.2708 311.1638       384.8202 59.71700 25.47183 90.59093 39.25392 -30.87394      46.79406 
1 1 1 8   4  49 o 56.86326 22.30141 85.77318       108.4169 98.38818       111.8929 -107.8564      438.3739 58.99500 22.79127 73.99973 35.43559 -15.00472      42.13220 
1 1 1 8   4  50 o 53.46837 22.03764 58.07602       111.6690 62.44846       113.5904 -67.89469      609.6974 54.26442 22.28134 81.50047 39.68812 -27.23605      45.51489 
1 1 1 8   5  0  o 432.8376 11.56462 5513.506       293.3036 5427.236       407.5224 5606.220       422.4693 428.6894 16.23843 435.6487 16.56533 -6.959290      23.19692 
1 1 1 8   5  1  o 688.6790 23.63696 14092.13       953.2675 0.000000       0.000000 14092.13       953.2675 ?        ?        688.6790 23.63696 0.000000       23.63696 
1 1 1 8   5  2  o 625.5244 21.78356 11607.15       797.9215 0.000000       0.000000 11607.15       797.9215 ?        ?        625.5244 21.78356 0.000000       21.78356 
1 1 1 8   5  3  o 636.7046 15.47654 11951.66       577.9131 12247.15       830.9804 11674.88       804.2594 642.3795 22.08998 627.2399 21.89669 15.13953       31.10357 
1 1 1 8   5  4  o 355.0493 14.86264 3721.164       308.7974 3721.164       308.7974 0.000000       0.000000 355.0493 14.86264 ?        ?        0.000000       14.86264 
1 1 1 8   5  5  o 220.1894 9.970167 1427.685       128.4166 1427.685       128.4166 0.000000       0.000000 220.1894 9.970167 ?        ?        0.000000       9.970167 
1 1 1 8   5  6  o 197.9289 14.08744 1159.266       162.4590 1159.266       162.4590 0.000000       0.000000 197.9289 14.08744 ?        ?        0.000000       14.08744 
1 1 1 8   5  7  o 375.4731 12.00544 4149.500       264.0273 4149.500       264.0273 0.000000       0.000000 375.4731 12.00544 ?        ?        0.000000       12.00544 
1 1 1 8   5  8  o 273.1227 11.22843 2195.684       179.4735 2195.684       179.4735 0.000000       0.000000 273.1227 11.22843 ?        ?        0.000000       11.22843 
1 1 1 8   5  9  o 126.9523 11.58356 477.4246       85.29583 603.6435       127.3757 374.8129       114.8478 142.4014 15.50175 111.3718 18.21202 31.02961       23.91614 
1 1 1 8   5  10 f 422.0673 8.589313 5228.434       212.6134 5439.674       317.9260 5057.527       285.9681 430.1031 12.61748 414.7835 11.76752 15.31955       17.25327 
1 1 1 8   5  11 o 246.3934 6.829987 1782.486       98.60078 1569.617       167.0041 1896.396       122.1661 230.8418 12.38095 254.0817 8.209134 -23.23991      14.85523 
1 1 1 8   5  12 o 756.1024 10.89405 16783.49       483.0814 16087.87       788.1074 17202.16       611.4097 739.5087 18.17154 765.2263 13.62360 -25.71759      22.71139 
1 1 1 8   5  13 o 691.7808 12.33622 14053.47       500.4964 13336.47       664.2195 14995.33       761.2855 673.4865 16.81637 713.7521 18.20137 -40.26563      24.78064 
1 1 1 8   5  14 o 520.0983 7.268109 7936.210       221.6958 8183.598       325.8122 7722.914       302.5311 527.9949 10.52173 512.9420 10.05660 15.05292       14.55479 
1 1 1 8   5  15 o 1139.098 13.73331 38121.32       917.4594 37514.33       1264.535 38795.97       1333.149 1128.993 19.09805 1147.959 19.80168 -18.96570      27.51076 
1 1 1 8   5  16 o 323.8816 10.23514 3082.520       194.1712 0.000000       0.000000 3082.520       194.1712 ?        ?        323.8816 10.23514 0.000000       10.23514 
1 1 1 8   5  17 o 550.2378 7.959249 8884.465       256.8462 8670.032       354.0666 9122.642       373.1553 543.3734 11.11056 557.3544 11.41583 -13.98108      15.93003 
1 1 1 8   5  18 o 541.3782 7.791201 8600.884       247.3749 8455.584       342.8652 8758.641       357.2605 536.5964 10.89495 546.1088 11.15463 -9.512390      15.59249 
1 1 1 8   5  19 o 582.0954 7.966246 9944.311       271.9558 9758.745       374.2013 10152.05       395.9246 576.4130 11.06932 587.8773 11.48353 -11.46429      15.94996 
1 1 1 8   5  20 o 810.4999 10.10232 19293.23       480.2026 19810.85       702.4376 18839.09       657.9604 820.6041 14.59565 800.3260 14.01788 20.27808       20.23695 
1 1 1 8   5  21 o 275.6643 6.803317 2230.191       109.9896 2166.216       158.0064 2290.334       153.2025 271.3727 9.944735 279.0962 9.372984 -7.723450      13.66567 
1 1 1 8   5  22 o 212.2331 7.344242 1323.881       91.27579 1431.881       138.5055 1240.972       121.3550 220.4518 10.74516 205.2527 10.11247 15.19907       14.75536 
1 1 1 8   5  23 o 792.8224 9.874455 18475.05       459.1342 18499.98       650.1718 18450.25       648.4591 792.4277 13.99001 791.3668 13.97186 1.060974       19.77203 
1 1 1 8   5  24 o 294.6515 9.069254 2554.114       156.5357 2554.114       156.5357 0.000000       0.000000 294.6515 9.069254 ?        ?        0.000000       9.069254 
1 1 1 8   5  25 f 498.9204 6.986540 7310.773       204.4297 7358.964       290.6146 7263.569       287.6230 500.1666 9.907228 496.9201 9.869305 3.246460       13.98415 
1 1 1 8   5  26 o 397.0932 6.361133 4630.584       148.1417 4884.958       223.7664 4432.100       197.6618 407.5097 9.362816 388.2468 8.680891 19.26288       12.76794 
1 1 1 8   5  27 o 179.9971 7.352781 953.6779       77.45552 915.4601       118.7672 981.9624       102.1734 175.8464 11.58075 182.4128 9.584258 -6.566360      15.03236 
1 1 1 8   5  28 o 524.5540 7.313030 8087.598       224.9770 8237.604       326.1559 7951.440       310.7350 528.7350 10.51809 519.5453 10.19803 9.189697       14.65025 
1 1 1 8   5  29 o 324.1251 6.300868 3086.348       119.7742 3061.925       172.8976 3108.884       166.0807 322.3828 9.153907 324.9168 8.723477 -2.534027      12.64488 
1 1 1 8   5  30 o 393.0346 6.694157 4539.366       154.3040 4619.472       222.3188 4464.909       214.3375 396.0533 9.571327 389.4032 9.385301 6.650085       13.40501 
1 1 1 8   5  31 o 217.0444 7.809365 1387.070       99.24449 1523.318       149.1971 1278.936       132.9155 226.9851 11.24258 207.9830 10.93517 19.00203       15.68355 
1 1 1 8   5  32 o 209.2508 9.344840 1291.711       114.3911 1400.911       181.4273 1219.655       147.3763 217.0806 14.33070 202.8408 12.44855 14.23982       18.98251 
1 1 1 8   5  33 o 31.48370 15.18254 -129.0328      83.77927 -74.46749      125.7661 -172.5639      112.3323 46.31453 21.08216 36.40430 17.56165 9.910221       27.43846 
1 1 1 8   5  34 o 188.6723 8.412043 1049.989       92.84673 1069.923       139.9040 1034.299       124.1189 189.7676 12.64275 186.7998 11.38355 2.967743       17.01247 
1 1 1 8   5  35 o 256.1470 7.128719 1931.625       106.9865 2050.103       162.3095 1840.599       142.2672 263.2833 10.53289 249.6032 9.737292 13.68008       14.34422 
1 1 1 8   5  36 o 217.4707 8.037491 1395.071       102.3349 1420.367       152.7865 1374.490       137.8156 218.6585 11.95982 215.3141 10.94973 3.344452       16.21524 
1 1 1 8   5  37 o 157.4688 10.24517 736.0720       94.10217 745.0682       142.1102 729.0470       125.5789 157.1872 15.62204 155.9261 13.87726 1.261124       20.89561 
1 1 1 8   5  38 o 145.2950 11.94241 630.8352       100.8663 689.7265       151.7612 584.2349       134.9987 150.4209 17.53114 138.4583 16.97999 11.96255       24.40616 
1 1 1 8   5  39 o 79.99801 19.55630 202.4409       90.96911 195.0658       130.9108 209.3276       126.5019 79.14904 25.11732 81.34164 24.50479 -2.192596      35.09081 
1 1 1 8   5  40 o 304.9692 7.400105 2746.521       132.3562 2742.118       191.6032 2750.539       183.0496 303.3503 10.78697 304.0381 10.28053 -0.6878357     14.90127 
1 1 1 8   5  41 o 56.04229 20.84164 80.71563       91.45947 -26.99018      138.1794 164.6903       122.0107 51.56146 22.88943 72.69007 24.32996 -21.12861      33.40468 
1 1 1 8   5  42 o 122.1472 13.13073 455.3060       92.58851 447.3398       127.9074 464.0752       134.1989 118.6221 19.02886 120.5644 19.65582 -1.942299      27.35779 
1 1 1 8   5  43 o 32.61530 15.72247 -127.3291      89.64643 -219.9957      129.9853 -43.27261      123.7992 37.08501 18.11736 46.90152 21.17620 -9.816517      27.86880 
1 1 1 8   5  44 o 73.18105 20.66993 177.1271       92.59797 178.0273       136.7456 176.3647       125.8398 74.02047 25.73522 73.35791 24.71027 0.6625595      35.67770 
1 1 1 8   5  45 o 53.61216 20.36121 74.35339       88.28956 60.89860       131.4989 85.39705       119.1352 57.86230 23.88807 59.22787 23.33265 -1.365562      33.39240 
1 1 1 8   5  46 o 60.09276 20.81772 112.5802       89.44178 130.5834       149.1910 102.4791       111.7511 67.49541 26.25051 60.40507 22.91519 7.090336       34.84530 
1 1 1 8   5  47 o 66.94736 21.98294 149.4292       99.73363 167.7824       103.6989 -76.88102      364.1413 70.30991 22.35993 71.87810 33.78975 -1.568192      40.51806 
1 1 1 8   5  48 o 87.50084 20.72237 261.3582       104.6905 275.9155       108.9491 85.99243       378.1427 89.76660 21.06006 78.84215 36.14122 10.92445       41.82958 
1 1 1 8   5  49 o 89.10859 20.96227 273.5377       107.7046 289.2066       111.1689 33.81794       434.8265 91.58558 21.12725 78.44794 36.89251 13.13764       42.51374 
1 1 1 8   5  50 o 38.67908 18.17984 -83.02296      105.3304 -89.05226      107.0545 99.65813       589.2758 38.62492 18.20805 84.70806 40.69996 -46.08314      44.58722 
1 1 1 8   6  0  o 1023.383 34.17879 31557.17       2048.498 0.000000       0.000000 31557.17       2048.498 ?        ?        1023.383 34.17879 0.000000       34.17879 
1 1 1 8   6  1  o 597.3908 14.65399 10515.98       513.4106 10792.02       737.3180 10256.16       715.3257 603.3284 20.86916 588.1721 20.76974 15.15631       29.44323 
1 1 1 8   6  2  o 199.7698 9.355363 1175.106       109.3033 1437.954       156.9128 927.3392       152.3447 220.7452 12.16745 176.7846 14.83031 43.96062       19.18293 
1 1 1 8   6  3  o 246.5650 9.435679 1788.820       136.1924 1919.310       191.7863 1656.078       193.4346 255.0508 12.86307 236.7271 13.99516 18.32373       19.00850 
1 1 1 8   6  4  o 301.3919 13.76217 2680.076       242.6172 2680.076       242.6172 0.000000       0.000000 301.3919 13.76217 ?        ?        0.000000       13.76217 
1 1 1 8   6  5  o 503.1016 18.28611 7482.931       538.6473 7482.931       538.6473 0.000000       0.000000 503.1016 18.28611 ?        ?        0.000000       18.28611 
1 1 1 8   6  6  o 45.24722 19.01977 7.546036       85.57538 7.546036       85.57538 0.000000       0.000000 45.24722 19.01977 ?        ?        0.000000       19.01977 
1 1 1 8   6  7  o 472.2928 13.12582 6565.183       363.2176 6565.183       363.2176 0.000000       0.000000 472.2928 13.12582 ?        ?        0.000000       13.12582 
1 1 1 8   6  8  o 187.2774 10.26631 1033.153       112.3275 1075.299       141.0313 960.0301       185.7650 190.8496 12.67186 179.6413 17.86891 11.20833       21.90602 
1 1 1 8   6  9  o 489.7907 7.854666 7040.175       225.6258 6823.091       376.7918 7161.528       281.7178 481.6386 13.35208 493.8904 9.725977 -12.25183      16.51886 
1 1 1 8   6  10 o 333.7489 7.820572 3268.560       153.0766 3318.999       229.3156 3228.019       205.5889 335.9733 11.65565 331.4100 10.59111 4.563263       15.74883 
1 1 1 8   6  11 o 659.5805 9.712585 12769.33       375.7104 12673.96       641.1182 12819.21       463.6717 656.2983 16.67009 660.7054 11.96609 -4.407166      20.52021 
1 1 1 8   6  12 o 1063.021 25.80860 33347.11       1609.003 0.000000       0.000000 33347.11       1609.003 ?        ?        1063.021 25.80860 0.000000       25.80860 
1 1 1 8   6  13 o 594.4589 9.036814 10370.57       315.0559 9748.849       508.4472 10758.07       401.4046 575.7690 15.07025 605.3297 11.30680 -29.56067      18.84029 
1 1 1 8   6  14 f 598.4507 11.18399 10515.07       392.5326 0.000000       0.000000 10515.07       392.5326 ?        ?        598.4507 11.18399 0.000000       11.18399 
1 1 1 8   6  15 o 524.5782 7.570938 8074.161       232.9220 7991.733       325.5370 8160.623       333.4069 521.7437 10.63880 527.2195 10.78282 -5.475830      15.14772 
1 1 1 8   6  16 o 814.8311 10.28394 19491.81       491.4482 19295.25       682.5295 19703.44       708.2070 810.2724 14.36283 818.7484 14.74889 -8.476013      20.58690 
1 1 1 8   6  17 o 311.0215 7.649961 2838.545       139.5404 2688.628       199.3616 2982.532       195.3786 302.3685 11.26196 318.5465 10.47236 -16.17801      15.37862 
1 1 1 8   6  18 o 614.4412 8.301605 11080.45       299.1527 10879.44       412.7167 11302.97       434.2346 608.5946 11.56308 620.2935 11.93649 -11.69891      16.61880 
1 1 1 8   6  19 o 398.5457 6.765298 4660.716       158.1305 4643.019       224.1526 4678.250       223.1116 397.6598 9.611286 399.1699 9.530460 -1.510132      13.53538 
1 1 1 8   6  20 f 352.5909 6.559489 3648.079       135.6412 3658.912       197.5234 3638.412       186.5941 352.8479 9.553890 351.8972 9.048820 0.9506836      13.15895 
1 1 1 8   6  21 o 538.6701 7.525541 8517.793       237.7448 8743.925       346.3142 8316.227       326.9636 545.4643 10.82564 531.9933 10.47955 13.47095       15.06703 
1 1 1 8   6  22 o 824.9130 10.22709 19999.36       494.7784 20430.42       719.2112 19612.05       681.7365 832.7495 14.72623 816.0229 14.24504 16.72662       20.48861 
1 1 1 8   6  23 o 138.8091 11.35403 570.5826       91.62433 653.6857       186.9646 544.3164       105.1115 146.7679 22.43196 135.2835 13.42506 11.48448       26.14240 
1 1 1 8   6  24 o 308.4428 8.261931 2797.292       149.3192 2723.025       236.8906 2846.251       192.3404 303.6606 13.33426 310.8687 10.56512 -7.208099      17.01248 
1 1 1 8   6  25 o 502.9102 7.047639 7428.754       207.8666 7736.379       307.6714 7170.421       281.9459 512.7509 10.23128 493.7199 9.737210 19.03094       14.12418 
1 1 1 8   6  26 o 122.4655 9.665644 444.0226       68.85921 705.6330       114.5218 295.8853       86.17728 154.1411 12.78320 98.88552 15.35773 55.25555       19.98174 
1 1 1 8   6  27 o 254.0117 6.273155 1895.076       93.45235 1886.152       136.1907 1903.016       128.4702 253.0146 9.193350 254.2161 8.629362 -1.201508      12.60887 
1 1 1 8   6  28 o 239.0047 9.935868 1685.312       138.9680 1761.009       172.8940 1547.143       233.5861 243.9656 12.12169 227.4676 17.64758 16.49802       21.40964 
1 1 1 8   6  29 o 330.4735 6.339760 3208.545       122.8740 3327.157       180.5464 3106.206       167.7036 336.0595 9.169132 324.7588 8.813179 11.30075       12.71791 
1 1 1 8   6  30 o 266.6274 6.765436 2090.440       105.7061 2172.161       154.3900 2018.326       145.0307 271.3963 9.715515 261.6349 9.467390 9.761444       13.56550 
1 1 1 8   6  31 o 221.3833 8.142764 1443.509       105.5423 1561.232       153.9175 1339.033       145.0001 229.7642 11.45850 212.7090 11.66806 17.05518       16.35362 
1 1 1 8   6  32 o 152.5074 11.45070 690.0139       101.6695 722.0410       145.2332 659.2354       142.3742 155.1531 16.19919 148.0744 16.68472 7.078781       23.25497 
1 1 1 8   6  33 o 260.7870 8.053290 2002.718       123.0238 2052.479       198.1478 1971.503       156.9352 263.1580 12.87783 258.3861 10.37732 4.771881       16.53866 
1 1 1 8   6  34 o 185.2240 8.779664 1012.654       95.10155 1045.632       139.5637 984.0666       129.9393 187.5511 12.76434 182.0206 12.24342 5.530457       17.68699 
1 1 1 8   6  35 o 300.6307 7.062159 2658.847       124.5149 2826.617       182.2596 2512.013       170.5085 309.2960 10.06107 291.5738 9.985930 17.72220       14.17547 
1 1 1 8   6  36 o 127.7091 12.15246 487.5871       89.92413 398.0080       140.2464 550.1259       117.1826 112.7745 21.99485 135.0727 15.04784 -22.29813      26.64979 
1 1 1 8   6  37 o 45.53259 19.13512 11.63441       86.58385 -34.33900      137.9222 41.53709       111.2336 51.93394 22.97088 54.62822 22.19331 -2.694279      31.94064 
1 1 1 8   6  38 o 206.0240 12.60659 1266.992       151.5939 1273.016       167.9924 1240.574       351.7827 206.1007 13.98100 195.1256 31.83718 10.97502       34.77175 
1 1 1 8   6  39 o 47.03171 19.57806 19.94564       89.35265 -19.41823      136.8514 49.19594       117.9683 52.65647 23.10093 56.42246 22.87987 -3.765991      32.51371 
1 1 1 8   6  40 o 154.6073 10.76517 714.9801       97.00180 749.9393       148.8945 689.2013       127.8584 156.3571 16.48499 150.5236 14.66943 5.833466       22.06687 
1 1 1 8   6  41 o 184.1072 9.315699 1010.001       100.2589 927.2131       150.2564 1076.440       134.6060 174.2542 14.84396 189.0215 12.20763 -14.76736      19.21899 
1 1 1 8   6  42 o 38.46649 17.49479 -43.59690      86.37466 19.20867       126.1290 -99.06202      118.5293 53.41659 22.79848 41.61454 19.47161 11.80204       29.98190 
1 1 1 8   6  43 o 104.9800 15.90007 345.5318       94.83266 256.8236       142.2161 416.5574       127.2549 86.79276 25.94472 113.6020 19.82071 -26.80928      32.64949 
1 1 1 8   6  44 o 111.8579 14.59689 389.7324       93.47634 330.6304       145.5485 431.2237       121.9509 97.69219 25.22876 115.7757 18.58947 -18.08355      31.33782 
1 1 1 8   6  45 f 63.15840 21.00594 127.2951       90.97429 42.31971       136.4292 195.3331       122.0779 56.50048 23.89662 75.90462 24.27408 -19.40415      34.06287 
1 1 1 8   6  46 o 110.4374 16.62660 390.1382       104.3518 410.1746       109.0372 171.9150       359.8454 113.1010 16.96066 84.09796 37.15487 29.00304       40.84297 
1 1 1 8   6  47 o 68.08582 22.39113 155.6655       103.4561 155.4606       108.0626 157.9156       358.1543 68.14886 22.89813 81.97445 36.59164 -13.82559      43.16564 
1 1 1 8   6  48 o 116.9723 16.95454 442.3198       112.9239 396.7488       118.2578 913.5845       380.2926 109.3384 19.13881 136.7390 42.73178 -27.40064      46.82199 
1 1 1 8   6  49 o 50.14677 21.11668 36.86726       105.7802 15.33233       108.9119 395.2474       444.2994 48.24620 20.89430 93.79602 41.36901 -45.54982      46.34616 
1 1 1 8   6  50 o 73.67068 23.81076 193.2034       117.2469 234.2482       120.5569 -523.6324      503.8167 80.55139 23.84063 66.89754 33.23401 13.65385       40.90079 
1 1 1 8   7  0  o 720.6678 17.16672 15328.39       725.5595 15061.66       1010.247 15612.54       1042.716 711.7014 24.23892 724.4738 24.57661 -12.77234      34.51862 
1 1 1 8   7  1  o 383.0198 10.61692 4315.804       238.2599 4258.736       329.4331 4378.394       345.0070 379.8981 14.81436 385.1255 15.30527 -5.227386      21.30062 
1 1 1 8   7  2  o 328.2591 9.892385 3169.291       190.2271 3379.073       272.7982 2970.736       265.3981 338.4911 13.77055 317.2716 14.29992 21.21948       19.85235 
1 1 1 8   7  3  o 196.8297 9.296129 1140.649       107.0076 1103.499       141.9402 1189.566       162.8734 193.2608 12.59164 200.5246 13.93615 -7.263763      18.78206 
1 1 1 8   7  4  o 107.8047 13.83609 347.6393       85.46420 435.3622       113.6848 233.6311       129.6028 120.4149 16.53410 87.47513 24.36357 32.93973       29.44418 
1 1 1 8   7  5  o 512.6827 11.20702 7725.585       336.9686 7725.585       336.9686 0.000000       0.000000 512.6827 11.20702 ?        ?        0.000000       11.20702 
1 1 1 8   7  6  o 199.7582 9.683083 1174.701       113.1027 1174.701       113.1027 0.000000       0.000000 199.7582 9.683083 ?        ?        0.000000       9.683083 
1 1 1 8   7  7  o 402.8902 9.603848 4766.396       226.9251 4766.396       226.9251 0.000000       0.000000 402.8902 9.603848 ?        ?        0.000000       9.603848 
1 1 1 8   7  8  f 320.0783 8.793663 3009.518       164.9168 3230.659       231.4875 2781.601       235.0074 331.4008 11.92978 307.3729 13.06645 24.02786       17.69327 
1 1 1 8   7  9  f 447.8023 7.481750 5883.991       196.4898 5694.499       329.0380 5989.018       244.9634 440.0791 12.76215 451.7047 9.246899 -11.62564      15.76000 
1 1 1 8   7  10 o 562.0419 14.49974 9289.286       477.5476 0.000000       0.000000 9289.286       477.5476 ?        ?        562.0419 14.49974 0.000000       14.49974 
1 1 1 8   7  11 o 916.7828 12.90810 24685.87       694.0319 24795.12       1206.282 24631.80       848.5444 917.3312 22.42189 915.4131 15.80545 1.918091       27.43271 
1 1 1 8   7  12 o 1112.579 15.43379 36380.02       1007.056 35462.50       1682.776 36891.97       1256.997 1096.141 26.17636 1119.700 19.14177 -23.55872      32.42853 
1 1 1 8   7  13 o 721.7676 10.50556 15292.55       444.6999 13995.23       684.5045 16239.99       584.9628 689.8865 16.91796 743.5392 13.41448 -53.65271      21.59087 
1 1 1 8   7  14 o 542.6898 10.60332 8646.022       337.4770 0.000000       0.000000 8646.022       337.4770 ?        ?        542.6898 10.60332 0.000000       10.60332 
1 1 1 8   7  15 o 739.8989 9.504888 16068.65       412.4486 16228.25       590.2841 15916.40       576.5396 743.1996 13.54270 736.0437 13.35596 7.155884       19.02068 
1 1 1 8   7  16 o 400.4371 7.418053 4704.960       174.2107 4926.681       258.2264 4519.748       236.0117 409.4840 10.76192 392.2320 10.26866 17.25201       14.87496 
1 1 1 8   7  17 o 1002.381 12.25722 29516.81       720.5691 28851.63       985.8518 30279.76       1055.820 990.2038 16.97605 1014.252 17.74980 -24.04791      24.56098 
1 1 1 8   7  18 o 132.0592 12.90162 517.3585       98.64944 683.6447       145.5790 376.1688       134.1442 151.5120 16.65775 111.0894 21.36538 40.42265       27.09170 
1 1 1 8   7  19 o 1111.871 13.40689 36347.65       874.2447 36624.21       1248.733 36081.79       1224.364 1114.580 19.10328 1106.368 18.86951 8.212646       26.85132 
1 1 1 8   7  20 o 424.7378 6.855117 5294.347       170.7601 5548.539       252.7802 5080.983       231.5911 434.6233 9.916981 415.9375 9.493869 18.68576       13.72880 
1 1 1 8   7  21 o 773.7118 9.703890 17586.74       440.3273 17512.82       619.2134 17662.36       626.2804 771.3762 13.68748 774.6420 13.78533 -3.265808      19.42634 
1 1 1 8   7  22 o 306.1008 8.406422 2754.041       150.7700 3018.791       264.0589 2625.983       183.6485 319.8248 14.11266 298.6948 10.49990 21.12994       17.59020 
1 1 1 8   7  23 o 692.0366 8.817157 14072.38       357.8559 14191.33       509.9928 13957.01       502.2649 694.2330 12.52588 688.4974 12.43884 5.735535       17.65283 
1 1 1 8   7  24 o 159.3663 7.996511 748.0684       74.50026 846.1891       120.3211 687.0617       94.87457 169.0548 12.21810 152.4355 10.67997 16.61934       16.22787 
1 1 1 8   7  25 o 430.0395 6.519045 5430.894       164.4155 5480.553       235.2787 5383.498       229.8536 431.6761 9.293386 427.8548 9.160188 3.821350       13.04899 
1 1 1 8   7  26 o 69.36299 16.79978 148.2462       67.60872 -22.87269      109.4006 253.9802       85.99601 47.32386 20.71082 91.19775 16.69341 -43.87389      26.60090 
1 1 1 8   7  27 o 311.8763 7.774477 2859.519       142.2015 2844.922       164.1525 2903.409       284.6508 310.8138 9.014794 312.6888 15.57105 -1.875031      17.99234 
1 1 1 8   7  28 o 588.9905 7.803151 10200.71       269.5435 10427.25       391.8326 9997.202       371.3738 594.6201 11.23597 582.3338 10.87399 12.28625       15.63619 
1 1 1 8   7  29 o 238.5608 6.820911 1673.850       95.33358 1577.858       136.3947 1765.539       133.3025 231.1991 10.08339 244.7034 9.305506 -13.50430      13.72105 
1 1 1 8   7  30 o 239.8678 7.146299 1692.711       100.4198 1537.772       140.2365 1855.767       143.8629 228.1737 10.50782 250.8143 9.799014 -22.64067      14.36784 
1 1 1 8   7  31 o 350.1252 6.992516 3602.854       143.5844 3755.101       206.9606 3461.570       199.3702 356.9081 9.896924 342.6575 9.931341 14.25064       14.02072 
1 1 1 8   7  32 o 198.0913 9.201117 1157.757       106.6027 1119.920       157.1137 1190.036       145.1179 194.0551 13.89707 200.3438 12.41173 -6.288681      18.63276 
1 1 1 8   7  33 o 138.0476 11.56545 566.5522       92.77589 528.2111       133.7317 602.1267       128.8162 132.0252 17.71826 141.5436 15.78617 -9.518433      23.73057 
1 1 1 8   7  34 o 122.0196 12.80422 445.4226       90.26579 330.5914       131.3928 548.0574       124.2193 102.8095 22.42431 134.8095 16.02472 -31.99998      27.56159 
1 1 1 8   7  35 o 211.4108 8.102049 1318.287       100.2693 1316.112       149.0672 1320.084       135.5054 210.4797 12.12730 211.0421 10.98587 -0.5624542     16.36340 
1 1 1 8   7  36 o 126.2267 12.39410 476.9039       90.57048 497.7698       138.1978 461.1946       119.9117 127.2905 19.10090 122.9942 17.08427 4.296242       25.62649 
1 1 1 8   7  37 o 58.00177 20.92954 87.29655       91.16033 39.58599       143.3187 119.7154       118.1394 60.10901 24.88868 66.70024 23.85593 -6.591228      34.47538 
1 1 1 8   7  38 o 159.8746 11.01496 761.4302       102.6480 821.6925       167.1840 724.9673       130.0461 164.1767 17.63967 155.1002 14.46339 9.076538       22.81112 
1 1 1 8   7  39 o 214.5581 8.384886 1362.565       105.3066 1393.693       158.6431 1338.046       140.8004 215.7557 12.59216 211.7918 11.37736 3.963974       16.97076 
1 1 1 8   7  40 o 116.3795 13.76684 412.7115       92.14674 494.0774       143.7442 355.9489       120.0606 124.9678 20.30959 105.7690 20.08932 19.19879       28.56677 
1 1 1 8   7  41 o 110.3079 14.47936 374.4430       91.41186 335.9784       144.0961 400.3477       118.2529 100.3983 24.65531 112.5188 18.56695 -12.12048      30.86448 
1 1 1 8   7  42 o 125.1956 12.33350 476.3487       89.38315 466.9203       132.5342 484.2149       121.0577 120.9824 19.32928 124.3206 17.05232 -3.338173      25.77601 
1 1 1 8   7  43 o 42.46427 18.40884 -1.538962      84.71485 -157.2025      143.6006 81.55338       104.9163 43.01190 20.51014 57.42315 22.09953 -14.41124      30.15054 
1 1 1 8   7  44 o 133.4858 12.48285 545.0757       96.59023 574.4919       100.4054 179.9146       353.7573 136.9972 12.63909 86.54561 37.56791 50.45163       39.63703 
1 1 1 8   7  45 o 98.70916 22.27668 330.2187       125.8892 330.2187       125.8892 0.000000       0.000000 98.70916 22.27668 ?        ?        0.000000       22.27668 
1 1 1 8   7  46 o 92.39780 20.08423 285.6299       105.7219 265.7867       110.8561 485.0863       351.4623 88.28825 21.59166 104.5380 40.39108 -16.24973      45.79999 
1 1 1 8   7  47 o 75.85674 22.00386 198.3611       103.5910 188.3039       108.5049 301.9125       348.1682 73.86512 22.78360 89.84452 38.09492 -15.97940      44.38823 
1 1 1 8   7  48 o 130.8392 15.72234 545.6143       118.2298 561.4452       124.0429 388.4894       390.7878 132.3422 16.32752 94.37607 40.20037 37.96616       43.38961 
1 1 1 8   7  49 o 109.6161 20.03778 405.3689       124.0720 415.1710       128.4582 269.1417       478.8882 110.5899 20.56261 88.49911 40.60646 22.09074       45.51599 
1 1 1 8   8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   8  1  o 827.2299 19.42463 20218.08       942.3877 20329.36       1336.253 20107.97       1329.250 825.9051 27.62611 821.3877 27.63290 4.517395       39.07402 
1 1 1 8   8  2  o 250.4685 13.35832 1851.186       195.5157 0.000000       0.000000 1851.186       195.5157 ?        ?        250.4685 13.35832 0.000000       13.35832 
1 1 1 8   8  3  o 397.5497 10.93589 4648.350       254.7318 4986.938       370.3529 4344.358       350.9223 411.1964 15.38446 383.7159 15.62644 27.48050       21.92869 
1 1 1 8   8  4  o 527.2388 9.747189 8165.035       301.3958 8222.438       353.4271 8011.990       577.0895 528.9279 11.39339 520.7388 18.92761 8.189087       22.09216 
1 1 1 8   8  5  f 160.7878 10.60235 762.7443       99.42039 762.7443       99.42039 0.000000       0.000000 160.7878 10.60235 ?        ?        0.000000       10.60235 
1 1 1 8   8  6  o 202.9302 9.452474 1211.745       112.1884 1211.745       112.1884 0.000000       0.000000 202.9302 9.452474 ?        ?        0.000000       9.452474 
1 1 1 8   8  7  o 84.34991 18.14075 217.5381       87.07375 217.5381       87.07375 0.000000       0.000000 84.34991 18.14075 ?        ?        0.000000       18.14075 
1 1 1 8   8  8  o 517.6544 8.930901 7864.997       271.1351 7923.978       344.9990 7769.724       438.4798 519.4471 11.32468 513.9144 14.56285 5.532776       18.44790 
1 1 1 8   8  9  o 481.0874 9.798956 6793.610       276.4740 6633.828       375.5680 6982.633       408.4900 474.9939 13.49554 487.2512 14.31030 -12.25729      19.67014 
1 1 1 8   8  10 o 763.2709 10.96879 17103.57       491.0075 17910.01       905.4209 16767.61       584.4029 779.7766 19.81444 755.5401 13.18877 24.23651       23.80243 
1 1 1 8   8  11 o 1641.275 27.68800 79569.56       2665.161 74060.52       3363.825 88859.43       4368.178 1579.314 36.31736 1724.965 43.21270 -145.6510      56.44722 
1 1 1 8   8  12 o 941.0953 13.22279 26014.75       729.8056 26401.63       1292.655 25833.74       884.2064 946.3933 23.28952 937.4371 16.08277 8.956177       28.30296 
1 1 1 8   8  13 o 273.6633 7.429913 2198.933       119.1376 2256.276       224.5614 2176.470       140.5482 276.7756 13.87857 272.1892 8.816116 4.586426       16.44198 
1 1 1 8   8  14 o 1223.761 20.82776 44113.00       1494.823 0.000000       0.000000 44113.00       1494.823 ?        ?        1223.761 20.82776 0.000000       20.82776 
1 1 1 8   8  15 o 600.5983 11.89003 10593.91       418.8104 0.000000       0.000000 10593.91       418.8104 ?        ?        600.5983 11.89003 0.000000       11.89003 
1 1 1 8   8  16 o 906.9735 11.25382 24157.30       598.6117 23962.13       835.8290 24362.83       857.7252 902.6602 15.78856 910.1291 16.06921 -7.468872      22.52772 
1 1 1 8   8  17 o 555.5051 9.175035 9058.479       298.9141 8397.524       477.7123 9483.773       383.1996 534.1407 15.26532 568.2248 11.49885 -34.08411      19.11161 
1 1 1 8   8  18 o 570.1785 7.780958 9541.190       260.1923 9252.214       355.3595 9875.154       382.0203 561.2623 10.79572 579.8108 11.23439 -18.54852      15.58073 
1 1 1 8   8  19 o 597.4940 8.025881 10479.23       281.2398 10544.16       399.6130 10415.51       395.8795 599.0350 11.37462 595.3733 11.33765 3.661743       16.06002 
1 1 1 8   8  20 o 473.0780 7.048427 6568.715       195.5579 6655.087       279.2224 6485.559       273.9737 475.9590 10.00300 469.8629 9.942307 6.096100       14.10353 
1 1 1 8   8  21 o 286.3458 7.582888 2408.954       127.2312 2436.168       245.9863 2399.014       148.6611 287.2189 14.65158 285.6527 8.884579 1.566162       17.13490 
1 1 1 8   8  22 o 587.5364 7.845754 10137.58       270.3460 9950.299       372.4009 10346.24       393.0916 581.6808 10.91630 593.0801 11.30134 -11.39929      15.71260 
1 1 1 8   8  23 o 496.6789 7.043849 7243.896       205.1806 7398.488       299.4079 7107.015       281.7361 501.5740 10.17836 491.6502 9.770926 9.923798       14.10922 
1 1 1 8   8  24 o 407.1969 6.429338 4868.582       153.5399 5047.674       226.5575 4716.459       208.8038 414.3174 9.323839 400.5441 8.888684 13.77325       12.88187 
1 1 1 8   8  25 o 444.9361 7.654811 5817.303       199.7481 6131.235       359.3135 5676.891       240.3018 455.5970 13.46228 439.3120 9.326818 16.28500       16.37750 
1 1 1 8   8  26 f 460.5362 6.778229 6230.623       183.0756 6208.940       256.4039 6253.174       261.4870 459.3321 9.518035 460.9386 9.672896 -1.606445      13.57048 
1 1 1 8   8  27 o 141.7232 8.815270 593.2366       72.90739 488.0244       115.0588 663.8224       94.24223 127.3870 15.73495 149.6940 10.80748 -22.30697      19.08901 
1 1 1 8   8  28 o 301.1364 6.247781 2663.951       110.3417 2703.618       161.4946 2629.219       151.1153 302.9307 9.100324 298.8002 8.632421 4.130463       12.54331 
1 1 1 8   8  29 o 296.4326 6.556999 2581.973       113.9939 2536.213       161.3369 2627.591       161.0868 293.3343 9.390319 298.6062 9.209373 -5.271851      13.15259 
1 1 1 8   8  30 o 486.8500 7.357334 6967.961       210.0710 6819.363       288.3851 7135.950       306.6237 481.0677 10.22153 492.0113 10.62625 -10.94366      14.74439 
1 1 1 8   8  31 o 119.8082 14.16261 430.5455       97.59152 488.4803       157.7761 394.6440       124.2018 125.9106 22.17599 113.5309 19.34664 12.37969       29.42901 
1 1 1 8   8  32 o 252.3199 7.960804 1874.481       117.6563 1716.677       171.0819 2016.091       162.0662 240.7956 12.15379 261.2868 10.59807 -20.49123      16.12556 
1 1 1 8   8  33 o 389.4948 7.028567 4460.421       160.5532 4511.553       231.0041 4412.642       223.3046 391.0460 10.08100 386.7856 9.852138 4.260376       14.09579 
1 1 1 8   8  34 o 272.8958 9.896125 2199.472       158.1222 2116.419       177.1700 2524.611       350.5488 267.3914 11.32339 288.9922 20.82252 -21.60080      23.70225 
1 1 1 8   8  35 o 277.7693 7.197435 2272.084       117.1511 2370.537       171.9351 2186.766       160.0555 283.0903 10.37347 271.9536 10.05248 11.13672       14.44511 
1 1 1 8   8  36 o 350.6244 6.993894 3618.348       143.8175 3395.696       196.5121 3875.142       211.0415 338.8980 9.897727 362.0366 9.948939 -23.13864      14.03376 
1 1 1 8   8  37 o 188.6957 9.037118 1053.549       99.71911 1115.451       158.8407 1013.281       128.1110 192.9495 14.13486 184.4354 11.90745 8.514038       18.48193 
1 1 1 8   8  38 o 135.5746 12.48473 551.4945       98.15363 690.2874       161.4016 470.0422       123.6448 149.8534 18.77601 123.6687 17.53911 26.18465       25.69356 
1 1 1 8   8  39 o 98.12193 16.57221 298.6339       91.97381 136.1520       148.5475 399.6442       117.1239 71.51633 26.56803 113.2792 18.24963 -41.76283      32.23211 
1 1 1 8   8  40 o 216.3085 8.084456 1386.870       102.3788 1326.767       150.1863 1439.042       139.9283 210.1144 12.24077 219.3916 10.90936 -9.277176      16.39666 
1 1 1 8   8  41 o 91.17104 16.82011 262.1412       86.62402 262.0946       141.6031 262.1691       109.5037 88.47072 25.74459 89.64956 21.16824 -1.178841      33.32984 
1 1 1 8   8  42 o 130.9046 12.03058 519.7584       91.32961 513.1928       94.86090 603.0515       337.8727 129.8566 12.61459 123.2025 40.46181 6.654083       42.38262 
1 1 1 8   8  43 o 130.8188 12.45589 522.0394       94.41222 538.3373       97.87041 303.5662       358.3310 132.7505 12.72653 96.02696 39.51719 36.72353       41.51593 
1 1 1 8   8  44 o 138.4752 12.69813 587.3787       101.9776 590.5059       106.5648 553.3832       351.3594 138.5756 13.27432 113.6329 41.07812 24.94272       43.16966 
1 1 1 8   8  45 o 109.8217 15.94385 382.1232       99.69232 337.8304       103.5152 948.7953       370.2569 102.1701 17.92905 147.7551 41.18995 -45.58503      44.92286 
1 1 1 8   8  46 o 82.11658 25.15379 238.3327       132.5378 238.3327       132.5378 0.000000       0.000000 82.11658 25.15379 ?        ?        0.000000       25.15379 
1 1 1 8   8  47 o 115.9815 16.52728 431.9764       109.2423 499.6950       114.1946 -298.3776      375.0231 125.2456 15.90468 64.91543 31.50009 60.33013       35.28759 
1 1 1 8   8  48 o 131.0776 16.36801 551.6799       123.0926 495.6908       127.1774 1381.509       489.6124 122.9634 18.18287 159.3967 48.25022 -36.43332      51.56259 
1 1 1 8   8  49 f 108.2749 20.78385 399.6023       127.1812 388.4200       131.6284 556.7507       493.4460 105.8973 21.91687 101.1036 44.12155 4.793732       49.26521 
1 1 1 8   9  0  o 1034.920 34.33322 32093.34       2080.992 0.000000       0.000000 32093.34       2080.992 ?        ?        1034.920 34.33322 0.000000       34.33322 
1 1 1 8   9  1  o 676.5545 16.19118 13483.04       642.4388 13825.28       923.5251 13162.14       894.2723 683.1208 23.08475 666.5692 22.90973 16.55157       32.52324 
1 1 1 8   9  2  o 327.6677 9.738577 3156.116       186.9379 3292.073       262.1919 3015.545       266.6037 334.2970 13.40038 319.8274 14.24924 14.46960       19.56045 
1 1 1 8   9  3  o 552.3288 13.72461 8972.258       444.5784 9516.847       649.7373 8492.818       609.6347 567.6523 19.54579 536.2311 19.41712 31.42114       27.55109 
1 1 1 8   9  4  o 750.0545 12.76873 16536.63       561.6829 16521.92       651.3189 16579.31       1109.463 749.4097 14.81917 747.9830 25.32780 1.426758       29.34460 
1 1 1 8   9  5  o 192.6860 7.812103 1091.415       88.09826 1110.877       105.6273 1046.934       159.6877 194.3010 9.296343 188.1212 14.58774 6.179794       17.29809 
1 1 1 8   9  6  o 361.1186 9.344189 3830.677       197.7320 3830.677       197.7320 0.000000       0.000000 361.1186 9.344189 ?        ?        0.000000       9.344189 
1 1 1 8   9  7  o 808.5854 16.11400 19228.13       764.1519 19228.13       764.1519 0.000000       0.000000 808.5854 16.11400 ?        ?        0.000000       16.11400 
1 1 1 8   9  8  o 395.8947 9.724178 4600.482       225.7788 4600.482       225.7788 0.000000       0.000000 395.8947 9.724178 ?        ?        0.000000       9.724178 
1 1 1 8   9  9  o 1232.802 15.75992 44674.34       1139.457 46219.23       1817.760 43674.37       1462.450 1251.717 24.76167 1217.914 20.47452 33.80225       32.13015 
1 1 1 8   9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   9  11 o 1216.912 16.85071 43543.77       1202.619 45344.03       2196.107 42772.67       1437.282 1238.065 30.24541 1205.340 20.33209 32.72571       36.44419 
1 1 1 8   9  12 o 583.5819 9.031315 9994.818       309.1031 10148.28       547.9936 9923.208       374.3384 587.3311 15.92366 581.3754 10.97886 5.955688       19.34162 
1 1 1 8   9  13 o 817.9625 11.81997 19647.68       567.0228 19878.76       1001.967 19538.81       687.7444 821.2601 20.81960 815.4122 14.38134 5.847961       25.30373 
1 1 1 8   9  14 o 891.4359 15.66123 23363.75       818.7784 0.000000       0.000000 23363.75       818.7784 ?        ?        891.4359 15.66123 0.000000       15.66123 
1 1 1 8   9  15 o 1024.020 14.51962 30823.10       871.9951 28024.12       1310.335 33047.93       1168.236 974.6821 22.92286 1059.477 18.80133 -84.79456      29.64705 
1 1 1 8   9  16 o 138.5974 12.89191 569.2756       103.5892 322.6364       236.7138 627.6963       115.2062 105.3879 33.81159 145.5063 13.66005 -40.11845      36.46671 
1 1 1 8   9  17 o 744.4037 9.431351 16268.41       411.7494 15738.93       556.2706 16910.07       612.3660 731.8099 12.96096 758.4413 13.76698 -26.63147      18.90810 
1 1 1 8   9  18 o 456.1966 6.935333 6107.077       185.5538 6052.754       258.7336 6164.602       266.2534 454.0079 9.717153 458.1707 9.908713 -4.162811      13.87824 
1 1 1 8   9  19 o 794.2313 9.928749 18528.75       462.4790 18545.42       652.8006 18511.96       655.2947 793.9244 14.02009 793.1952 14.08660 0.7292480      19.87449 
1 1 1 8   9  20 o 936.3193 13.24532 25796.30       727.3392 27398.12       1364.209 25160.14       859.7232 960.8076 24.22929 924.0151 15.86460 36.79248       28.96108 
1 1 1 8   9  21 o 441.2784 6.629581 5715.736       171.5732 5708.008       244.1757 5723.273       241.1350 440.7572 9.446098 441.3582 9.315765 -0.6010132     13.26696 
1 1 1 8   9  22 o 369.0813 6.293902 3998.605       136.2362 4278.272       206.2823 3782.254       181.4348 381.5471 9.218562 358.7970 8.622262 22.75009       12.62241 
1 1 1 8   9  23 o 256.5303 6.266939 1931.983       94.28544 2042.321       148.0274 1856.660       122.3043 263.3744 9.599423 251.2324 8.312160 12.14203       12.69807 
1 1 1 8   9  24 o 357.1604 7.713618 3748.127       161.5742 3888.781       192.0677 3407.620       298.8416 363.6686 9.005295 339.2753 15.05641 24.39328       17.54396 
1 1 1 8   9  25 o 643.2411 8.325272 12164.25       314.0673 12075.98       440.2430 12255.74       448.1798 640.0939 11.72730 644.8056 11.85149 -4.711670      16.67295 
1 1 1 8   9  26 o 397.3824 6.373314 4638.331       148.5335 4701.490       212.7446 4578.264       207.4708 399.7370 9.074732 394.4792 8.967729 5.257782       12.75817 
1 1 1 8   9  27 o 237.7110 6.483610 1661.327       90.30482 1715.287       135.2544 1617.925       121.3024 241.1746 9.581523 234.3183 8.842856 6.856354       13.03847 
1 1 1 8   9  28 o 138.5097 9.111033 567.1728       73.60040 696.0712       126.4588 501.1437       90.50925 152.6943 14.28723 129.7447 12.03174 22.94955       18.67854 
1 1 1 8   9  29 o 196.5521 7.536100 1137.543       86.71008 1221.426       141.4503 1087.046       109.7489 203.0685 11.92966 191.8587 9.785998 11.20985       15.42992 
1 1 1 8   9  30 o 511.0804 7.486164 7679.399       224.3877 7567.676       312.8784 7797.719       321.9816 506.7067 10.52855 514.3137 10.67462 -7.606995      14.99326 
1 1 1 8   9  31 o 448.1722 7.320541 5904.693       192.4149 5870.238       271.8254 5939.295       272.4070 446.2983 10.38519 448.9241 10.34653 -2.625824      14.65956 
1 1 1 8   9  32 o 586.3762 8.127988 10115.77       279.5181 9950.334       386.2239 10297.72       405.0439 580.6613 11.34138 590.5917 11.69403 -9.930359      16.29040 
1 1 1 8   9  33 o 164.3695 9.847251 799.3207       94.49113 773.5557       147.7195 817.1641       122.9308 160.5455 15.89730 165.7121 12.74687 -5.166641      20.37663 
1 1 1 8   9  34 o 108.9296 14.37737 358.3052       89.60888 529.1473       150.0197 263.5412       111.7307 131.2751 20.12657 91.75552 21.19052 39.51960       29.22528 
1 1 1 8   9  35 o 316.1873 9.610672 2953.510       178.0099 2902.462       197.4854 3174.705       411.0861 313.1439 10.76930 322.9559 21.83228 -9.812073      24.34391 
1 1 1 8   9  36 o 106.4343 15.22401 344.5698       92.32644 340.9996       153.0641 346.6117       115.7555 103.3194 25.43392 105.6626 19.39417 -2.343208      31.98466 
1 1 1 8   9  37 o 153.6848 16.03110 715.0875       142.3703 703.2088       153.6897 786.9333       377.9735 151.9140 17.57401 150.2253 41.51853 1.688675       45.08474 
1 1 1 8   9  38 o 77.07839 20.02191 187.8788       91.31078 202.3046       148.5255 179.1136       115.7742 81.17744 26.83462 75.87136 23.55682 5.306084       35.70743 
1 1 1 8   9  39 o 80.20415 18.10591 203.5514       83.14138 210.3139       142.2378 200.0417       102.4695 81.44084 26.21741 78.99280 21.53287 2.448044       33.92664 
1 1 1 8   9  40 o 67.74281 24.14798 133.2191       120.9483 167.4780       129.2620 -107.7001      342.7834 73.61372 25.04243 74.67381 34.29684 -1.060097      42.46642 
1 1 1 8   9  41 o 189.6590 9.385151 1073.169       104.0673 1083.609       108.8518 962.1859       354.9155 190.4425 9.778621 159.7441 38.36654 30.69841       39.59309 
1 1 1 8   9  42 o 89.69487 17.81203 257.3626       90.39326 252.4407       93.73920 322.6394       341.3760 88.49665 18.65023 98.23537 39.23905 -9.738724      43.44576 
1 1 1 8   9  43 o 135.0623 12.21884 555.9360       95.74055 570.1930       99.32133 368.8369       359.8019 136.6640 12.53126 100.1526 40.18908 36.51137       42.09744 
1 1 1 8   9  44 o 55.34083 20.98567 80.31244       93.70155 83.98463       97.21487 32.24435       351.7210 56.36598 21.37523 78.09623 35.43379 -21.73025      41.38181 
1 1 1 8   9  45 o 49.75183 20.22539 45.73896       92.45229 40.25298       95.59677 125.0384       363.4553 49.55079 20.40320 82.36322 36.80665 -32.81243      42.08349 
1 1 1 8   9  46 o 61.65367 22.16652 117.5421       102.1446 150.1589       105.3796 -389.3568      415.4287 67.32549 22.61200 66.19203 32.34830 1.133453       39.46791 
1 1 1 8   9  47 o 140.3846 19.32797 648.8988       154.9126 648.8988       154.9126 0.000000       0.000000 140.3846 19.32797 ?        ?        0.000000       19.32797 
1 1 1 8   9  48 o 62.23885 24.02528 113.8284       124.2653 152.0276       127.8174 -544.9391      530.7981 67.78361 24.73621 68.93379 34.22290 -1.150185      42.22662 
1 1 1 8   9  49 o 124.3169 19.25363 514.8322       135.8413 512.0716       138.3382 589.2410       718.2107 123.6085 19.74705 99.50484 46.98452 24.10365       50.96559 
1 1 1 8   10 0  o 694.0389 16.54327 14181.08       673.3729 13447.70       912.2319 15059.09       998.1429 674.2025 23.10503 713.2820 23.89431 -39.07947      33.23824 
1 1 1 8   10 1  o 367.1860 10.20951 3962.510       219.6443 4113.944       311.7277 3813.201       309.5318 373.7494 14.24756 359.7571 14.70149 13.99231       20.47258 
1 1 1 8   10 2  o 226.2170 8.547491 1504.264       113.1964 1675.825       154.6689 1306.381       166.1106 238.6013 11.08327 210.3730 13.53529 28.22826       17.49408 
1 1 1 8   10 3  o 467.4787 9.058922 6415.190       248.3641 6555.465       296.1565 6082.696       455.9570 472.4628 10.68816 454.2558 17.14562 18.20703       20.20418 
1 1 1 8   10 4  o 698.1363 12.05062 14317.74       493.4012 14306.59       573.4788 14349.53       968.0645 697.6453 14.01626 696.7347 23.72577 0.9105225      27.55663 
1 1 1 8   10 5  o 97.40433 10.98427 282.1227       61.65500 266.4644       70.44627 333.3759       127.4521 94.33952 13.08427 104.4514 21.52200 -10.11189      25.18719 
1 1 1 8   10 6  o 371.9802 9.317646 4063.829       203.1116 4063.829       203.1116 0.000000       0.000000 371.9802 9.317646 ?        ?        0.000000       9.317646 
1 1 1 8   10 7  o 469.3105 8.441831 6463.302       232.3526 6826.350       304.0678 5953.805       360.2131 482.2031 10.75202 449.9642 13.66579 32.23889       17.38849 
1 1 1 8   10 8  o 490.4604 8.809401 7059.181       253.3967 7393.783       329.0213 6571.392       397.2610 501.8348 11.17925 472.7027 14.34631 29.13211       18.18769 
1 1 1 8   10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   10 10 o 816.8068 10.86577 19586.41       520.5116 20339.88       837.6454 19112.45       664.3460 831.6594 17.17371 806.5553 14.04461 25.10413       22.18530 
1 1 1 8   10 11 o 535.2221 14.04355 8422.361       440.4393 0.000000       0.000000 8422.361       440.4393 ?        ?        535.2221 14.04355 0.000000       14.04355 
1 1 1 8   10 12 o 840.9776 12.09696 20770.22       596.6382 20796.08       1037.242 20757.43       729.3852 839.9602 21.07240 840.4058 14.79849 -0.4455566     25.74959 
1 1 1 8   10 13 o 599.4899 9.522550 10548.83       334.8001 9921.082       554.1666 10909.66       420.1439 580.6119 16.29046 609.5024 11.75363 -28.89044      20.08798 
1 1 1 8   10 14 o 883.0856 12.75331 22909.61       660.5054 20839.34       1002.197 24499.37       878.2234 841.0632 20.31767 912.6672 16.40749 -71.60406      26.11539 
1 1 1 8   10 15 o 385.3759 8.463819 4358.744       191.2940 4036.266       321.9262 4534.758       237.8378 370.2212 14.85687 392.8624 10.33158 -22.64120      18.09609 
1 1 1 8   10 16 o 853.9128 12.26701 21423.29       614.3314 20884.59       1025.106 21725.18       767.4008 841.5944 20.76899 859.4604 15.22460 -17.86603      25.75149 
1 1 1 8   10 17 o 792.1662 9.916967 18427.04       460.7292 18165.98       637.8572 18711.82       666.2057 786.0192 13.83693 797.6769 14.24068 -11.65771      19.85593 
1 1 1 8   10 18 o 320.3379 6.573064 3011.208       123.4885 3095.131       180.3400 2937.117       169.4469 324.5104 9.485917 316.1371 9.148810 8.373352       13.17890 
1 1 1 8   10 19 o 257.9741 6.792993 1954.540       102.6856 1859.853       153.9349 2030.455       137.8343 251.3710 10.46459 262.7924 8.956309 -11.42146      13.77400 
1 1 1 8   10 20 o 600.5722 7.972200 10590.91       280.7979 10487.02       391.1696 10701.36       403.3259 597.2343 11.16786 603.2734 11.39965 -6.039124      15.95848 
1 1 1 8   10 21 o 588.9615 7.819755 10186.73       270.1037 10213.48       382.6931 10160.17       381.2795 589.2982 11.07299 587.7601 11.06096 1.538086       15.65107 
1 1 1 8   10 22 o 359.7296 9.615104 3807.083       202.6708 3805.077       259.3199 3810.230       324.8731 359.2583 12.32600 358.9514 15.46850 0.3068542      19.77890 
1 1 1 8   10 23 o 309.2939 6.171964 2808.578       111.9555 3006.465       173.9240 2668.570       146.2944 319.6276 9.288071 301.2272 8.288882 18.40033       12.44885 
1 1 1 8   10 24 o 129.3232 8.906024 494.1079       67.13528 562.1003       121.4264 464.1729       80.56991 137.0444 15.37247 125.0575 11.10052 11.98690       18.96139 
1 1 1 8   10 25 o 191.6240 6.923748 1080.166       77.68322 1196.779       123.0344 1002.858       100.1767 201.3266 10.45601 184.3904 9.293521 16.93613       13.98919 
1 1 1 8   10 26 o 329.5058 6.091421 3188.885       117.7151 3190.157       170.2031 3187.720       162.9803 329.1666 8.824562 329.0958 8.451264 0.7073975E-01  12.21871 
1 1 1 8   10 27 f 154.0359 8.245755 699.9012       74.21938 676.4293       124.0655 712.9829       92.62067 150.5373 14.22115 155.2283 10.23092 -4.691055      17.51893 
1 1 1 8   10 28 o 42.08744 17.25335 18.33074       67.96847 61.46741       119.4611 -2.317272      82.64991 59.16518 23.34706 42.99465 18.40540 16.17053       29.72952 
1 1 1 8   10 29 o 153.5886 8.995029 696.7099       80.66903 752.7659       137.2164 667.1028       99.72235 158.7178 14.91593 149.9441 11.42603 8.773666       18.78934 
1 1 1 8   10 30 o 187.0699 8.765086 1032.079       95.89622 846.5853       146.2344 1172.033       127.0216 168.3988 14.96236 199.0777 10.92122 -30.67883      18.52418 
1 1 1 8   10 31 o 50.98059 20.12605 44.42652       88.80724 -2.600009      144.9396 72.69360       112.3715 56.71936 24.32897 59.48083 22.87647 -2.761475      33.39508 
1 1 1 8   10 32 o 27.74820 13.71185 -182.4636      81.60744 -192.1205      137.3759 -177.1974      101.4473 41.16312 19.74464 33.38506 16.24203 7.778065       25.56666 
1 1 1 8   10 33 o 334.7089 6.901748 3294.144       135.4805 3517.302       205.0198 3121.155       180.5089 345.1690 10.13875 325.2741 9.472434 19.89490       13.87520 
1 1 1 8   10 34 o 147.0789 11.48013 643.6527       98.24176 682.4836       178.1061 626.6718       117.7797 149.0866 20.94688 144.5883 14.06713 4.498291       25.23204 
1 1 1 8   10 35 o 352.0381 7.131681 3647.676       147.2422 3563.272       207.7247 3732.910       208.7427 347.1175 10.21490 355.3453 10.02639 -8.227875      14.31337 
1 1 1 8   10 36 o 288.7808 8.244138 2460.646       139.4824 2303.925       227.0275 2555.674       176.7824 277.8116 13.97897 293.8098 10.27523 -15.99811      17.34912 
1 1 1 8   10 37 o 265.3244 7.884934 2077.749       122.5586 2235.757       197.1525 1978.230       156.4644 273.9843 12.30085 258.2805 10.35032 15.70377       16.07607 
1 1 1 8   10 38 f 70.69460 25.44706 138.4319       134.6616 104.0949       144.5921 362.9642       369.7454 67.23534 25.92597 109.1641 41.61814 -41.92878      49.03290 
1 1 1 8   10 39 o 176.2997 10.05813 926.5039       103.5651 899.6619       107.8545 1243.974       370.9216 173.5485 10.64786 189.7266 34.61008 -16.17804      36.21098 
1 1 1 8   10 40 f 194.6715 9.675193 1130.273       110.1157 1132.524       115.5490 1108.016       363.3738 194.7003 10.15436 174.9295 36.59701 19.77080       37.97963 
1 1 1 8   10 41 o 59.78103 19.95874 108.5695       82.11476 84.04234       84.38797 545.5172       356.1816 55.41219 20.11741 117.8325 41.49353 -62.42029      46.11316 
1 1 1 8   10 42 f 67.23941 20.83763 145.3529       90.63699 123.6736       93.65891 465.1366       359.7117 63.27334 21.31785 109.2058 41.18355 -45.93244      46.37386 
1 1 1 8   10 43 o 63.66581 21.59330 127.0224       96.09959 156.6168       99.74908 -255.3626      358.5540 69.21508 21.92016 67.36826 32.20253 1.846817       38.95506 
1 1 1 8   10 44 o 172.3703 11.10960 900.2596       111.7101 888.4153       115.5769 1068.435       435.5101 170.9843 11.59420 151.8524 45.40399 19.13185       46.86094 
1 1 1 8   10 45 o 116.1727 15.65551 426.9914       103.9525 393.8472       107.7050 877.9325       397.2762 110.7264 17.13893 136.0394 43.81757 -25.31299      47.05021 
1 1 1 8   10 46 o 157.8234 13.22484 771.0370       121.2841 813.2659       127.9060 394.5869       381.8910 161.8717 13.59877 96.48396 40.34275 65.38779       42.57304 
1 1 1 8   10 47 o 37.02297 17.77199 -133.1578      111.7644 -135.7936      116.8979 -105.1090      381.3370 37.97846 18.21617 71.39945 33.86790 -33.42099      38.45599 
1 1 1 8   10 48 o 65.60548 24.61541 136.8295       128.1484 72.89497       132.1102 1155.100       527.2303 57.96124 23.93765 134.6751 50.04855 -76.71382      55.47854 
1 1 1 8   10 49 o 57.51809 23.92368 69.63835       133.2640 78.54147       135.5973 -182.3946      721.4540 58.76580 24.25892 82.36121 40.71196 -23.59540      47.39155 
1 1 1 8   11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   11 1  o 1325.336 30.41761 52069.97       2364.295 48651.88       3155.188 56446.89       3570.414 1274.045 42.28556 1370.857 44.46834 -96.81165      61.36369 
1 1 1 8   11 2  o 775.8298 18.25094 17717.93       830.4286 17695.21       1171.019 17740.91       1177.817 773.4280 25.85260 774.3965 25.97041 -0.9685059     36.64450 
1 1 1 8   11 3  o 561.7764 10.15534 9264.954       334.5864 9299.776       391.7000 9170.977       643.4843 562.7137 11.86904 557.6978 19.70477 5.015930       23.00331 
1 1 1 8   11 4  o 285.1897 7.545928 2388.102       126.1001 2536.097       153.8313 2084.952       220.1657 293.8253 8.937378 265.9913 14.16447 27.83395       16.74841 
1 1 1 8   11 5  o 564.2976 10.18189 9347.505       336.9667 9371.090       393.1900 9282.270       653.9179 564.9021 11.86803 561.1417 19.90162 3.760376       23.17163 
1 1 1 8   11 6  o 469.4280 9.004372 6467.021       247.8979 6547.529       291.4783 6256.542       471.2896 472.2722 10.52358 460.8915 17.46728 11.38068       20.39244 
1 1 1 8   11 7  o 571.1487 9.548048 9574.170       319.8264 9959.945       420.0855 9042.234       493.2875 582.3730 12.29946 554.4766 15.18362 27.89642       19.54019 
1 1 1 8   11 8  o 664.9485 10.73471 12980.06       418.6285 13593.10       559.5121 12200.44       630.9681 680.2043 14.02554 643.9473 16.72146 36.25696       21.82483 
1 1 1 8   11 9  o 744.9302 15.49493 16310.46       676.9484 14966.35       1019.939 17368.77       905.0286 711.9249 24.46443 767.8443 20.11467 -55.91937      31.67188 
1 1 1 8   11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   11 11 o 663.0579 13.25840 12915.46       515.5765 14056.40       949.8012 12438.82       613.8945 689.9961 23.50554 650.4296 16.09322 39.56647       28.48687 
1 1 1 8   11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   11 13 o 467.4202 8.558486 6411.963       234.6145 6005.092       409.5033 6610.774       286.2521 451.6643 15.48224 474.5251 10.28582 -22.86078      18.58757 
1 1 1 8   11 14 o 384.8821 11.78114 4355.064       265.6158 4028.273       349.3060 4803.071       408.9900 369.7169 16.14861 403.6305 17.31768 -33.91354      23.67867 
1 1 1 8   11 15 o 435.6504 10.54241 5573.254       269.3570 5363.489       350.4250 5876.156       421.0942 426.9145 14.01499 446.6261 16.10260 -19.71161      21.34745 
1 1 1 8   11 16 o 486.2206 8.262853 6938.949       235.6209 6439.501       381.8986 7245.914       299.3971 467.7861 13.93589 496.7318 10.27721 -28.94565      17.31560 
1 1 1 8   11 17 o 201.5797 8.561499 1195.057       100.9850 858.1530       194.3867 1319.593       118.1848 169.3992 19.94811 211.7701 9.540329 -42.37082      22.11210 
1 1 1 8   11 18 o 408.5573 6.652411 4898.568       159.3979 4977.087       231.5590 4827.854       219.7497 411.6436 9.591571 405.4490 9.241481 6.194550       13.31928 
1 1 1 8   11 19 o 248.0274 6.577799 1806.772       95.59767 1709.212       146.4495 1879.209       126.1920 240.9435 10.38829 252.8214 8.522926 -11.87798      13.43714 
1 1 1 8   11 20 o 455.0622 6.783325 6078.814       181.0356 6031.592       254.3969 6127.264       257.6806 453.0551 9.574369 456.6293 9.622047 -3.574188      13.57396 
1 1 1 8   11 21 o 459.0370 8.124309 6189.672       218.7180 6412.733       266.2864 5727.154       383.4437 467.0607 9.721318 440.4136 14.86666 26.64703       17.76293 
1 1 1 8   11 22 o 442.1908 6.565959 5741.170       170.2779 5788.297       243.0725 5695.758       238.6083 443.7091 9.340860 440.1599 9.243248 3.549255       13.14113 
1 1 1 8   11 23 o 625.2009 8.128512 11487.51       298.0446 11450.95       419.6669 11524.72       423.3547 623.5173 11.47640 625.5069 11.54042 -1.989624      16.27542 
1 1 1 8   11 24 o 252.2425 7.136128 1870.782       105.4617 1720.320       215.1963 1918.340       120.9865 240.6891 15.32460 255.3344 8.089568 -14.64529      17.32872 
1 1 1 8   11 25 o 274.7878 6.144572 2217.609       99.02381 2193.361       151.8903 2235.534       130.5921 272.8250 9.507356 275.6231 8.087620 -2.798126      12.48196 
1 1 1 8   11 26 o 27.76743 13.23772 -78.44316      59.74684 -172.4619      110.5224 -39.62333      71.01823 35.99098 17.37645 35.26707 15.96980 0.7239075      23.60032 
1 1 1 8   11 27 o 99.70224 11.52102 297.1310       66.12897 184.6521       117.1545 349.7259       80.11160 77.98338 23.60140 108.0404 12.89769 -30.05704      26.89566 
1 1 1 8   11 28 o 579.0141 7.841928 9859.646       266.2947 10186.02       390.2518 9575.263       364.2831 587.5945 11.32444 569.8323 10.90038 17.76221       15.71818 
1 1 1 8   11 29 o 426.3769 6.949495 5343.014       173.7791 5400.649       247.3352 5286.824       244.2159 428.1847 9.849273 423.6523 9.829102 4.532410       13.91472 
1 1 1 8   11 30 o 189.8339 8.710279 1062.668       96.71578 1242.426       160.4249 960.0289       121.2224 204.5504 13.44734 180.0201 11.54266 24.53027       17.72185 
1 1 1 8   11 31 o 54.33723 20.13277 69.40762       85.19715 -86.14343      140.4125 160.0446       107.1820 48.65194 22.19617 73.02244 22.66478 -24.37050      31.72321 
1 1 1 8   11 32 o 225.0093 7.925894 1491.522       104.4288 1328.735       162.8047 1605.321       136.1211 211.4729 13.19259 233.1375 9.978576 -21.66457      16.54136 
1 1 1 8   11 33 o 105.8323 14.63075 338.7085       88.38386 517.9185       163.7146 264.9919       104.9999 129.2644 22.40687 92.26106 19.98444 37.00334       30.02408 
1 1 1 8   11 34 o 299.9804 7.313222 2648.546       128.6626 2801.588       198.9008 2538.431       168.7152 307.6090 11.04313 293.0824 9.829440 14.52658       14.78407 
1 1 1 8   11 35 o 256.8676 7.620670 1945.009       114.6760 1840.869       179.4206 2016.932       149.1070 248.8297 12.33318 261.1448 9.752812 -12.31509      15.72338 
1 1 1 8   11 36 o 187.2283 12.92374 1046.849       141.0384 1068.799       152.4218 916.1517       371.9408 188.9386 13.85175 163.8085 39.23327 25.13017       41.60674 
1 1 1 8   11 37 o 126.3908 13.98938 482.6433       101.9627 508.6218       105.7955 143.4732       382.2693 129.7475 14.13137 95.38261 40.15282 34.36492       42.56695 
1 1 1 8   11 38 o 319.6575 8.073291 3020.731       151.2301 2976.178       161.2743 3345.353       435.3297 317.0902 8.680418 327.4280 22.81271 -10.33777      24.40839 
1 1 1 8   11 39 o 187.7917 9.341672 1049.332       102.5619 1032.005       106.4014 1276.510       385.2637 186.1007 9.783111 190.4028 35.81540 -4.302063      37.12751 
1 1 1 8   11 40 o 108.0066 14.62897 359.6771       90.28465 377.0507       92.97954 72.92995       377.7394 110.5996 14.69804 86.12906 38.05915 24.47055       40.79867 
1 1 1 8   11 41 o 101.2561 16.04753 321.1915       92.12315 262.0457       94.63534 1391.055       402.4906 90.35381 18.48270 194.0218 36.71592 -103.6680      41.10558 
1 1 1 8   11 42 o 77.71265 20.18226 198.4947       92.79266 191.5716       95.51829 314.6362       391.2278 76.23885 20.79278 98.15711 40.92187 -21.91827      45.90140 
1 1 1 8   11 43 o 53.17677 21.36787 57.17459       101.8583 92.03268       105.3097 -448.6262      401.1495 58.65430 22.24636 65.25549 31.86836 -6.601185      38.86506 
1 1 1 8   11 44 o 188.5177 10.35533 1072.468       114.0500 1093.768       118.7406 818.7311       409.8265 190.2117 10.68714 131.4926 44.59220 58.71909       45.85498 
1 1 1 8   11 45 o 54.16478 21.48591 68.08356       101.6631 43.27336       105.8644 362.1886       364.4903 51.52262 21.36722 95.47330 39.62554 -43.95067      45.01935 
1 1 1 8   11 46 o 173.6533 11.68037 922.7177       118.2651 924.7563       124.6670 904.3834       373.8634 173.4319 12.33720 138.1812 42.23096 35.25070       43.99615 
1 1 1 8   11 47 o 145.4438 14.60993 665.8068       122.9357 609.8941       129.7047 1159.937       385.5862 137.9936 16.34369 159.4626 41.00271 -21.46902      44.13999 
1 1 1 8   11 48 o 62.33976 23.92967 116.1988       122.7921 139.3247       127.3043 -192.7902      465.3344 65.84142 24.56875 72.80118 35.27039 -6.959763      42.98400 
1 1 1 8   11 49 f 72.06734 24.79626 184.0141       126.8138 185.1842       131.3966 168.1111       484.3918 72.27205 25.22063 83.60632 39.19791 -11.33427      46.61069 
1 1 1 8   12 0  o 755.2059 17.79765 16779.41       788.2762 16166.28       1081.373 17474.65       1151.512 739.6962 24.96285 768.9378 25.57003 -29.24164      35.73472 
1 1 1 8   12 1  o 753.7584 25.21946 16787.81       1113.285 16787.81       1113.285 0.000000       0.000000 753.7584 25.21946 ?        ?        0.000000       25.21946 
1 1 1 8   12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   12 3  o 1026.790 16.99891 31004.99       1023.654 30812.44       1182.186 31581.98       2046.418 1023.093 19.70244 1031.377 33.87785 -8.283936      39.19050 
1 1 1 8   12 4  o 214.7591 10.05158 1356.745       126.2495 1373.042       183.7498 1342.172       173.7565 215.6714 14.61356 213.2839 13.96783 2.387543       20.21525 
1 1 1 8   12 5  o 204.5721 10.11509 1231.404       120.9812 1063.158       168.3355 1411.145       173.9910 189.5858 15.26881 218.7504 13.62983 -29.16457      20.46726 
1 1 1 8   12 6  o 641.7703 11.20685 12092.18       421.8070 12008.12       486.9580 12344.78       844.1486 639.4035 12.98572 646.9081 22.28305 -7.504578      25.79076 
1 1 1 8   12 7  o 210.8831 8.314154 1306.979       102.6262 1384.172       113.2881 953.8124       242.3174 216.9957 8.920922 178.3193 23.76137 38.67639       25.38081 
1 1 1 8   12 8  o 273.4354 8.424026 2196.066       134.9294 2229.675       153.4572 2081.547       283.2658 275.4599 9.513288 265.3657 18.31346 10.09418       20.63700 
1 1 1 8   12 9  o 419.3086 8.754960 5159.706       215.2972 5022.136       260.1378 5458.820       383.5841 413.4612 10.73707 430.6877 15.21002 -17.22650      18.61799 
1 1 1 8   12 10 o 667.2294 10.83813 13070.81       424.1116 13801.94       591.5373 12297.44       608.3862 685.2827 14.71844 646.7182 16.04035 38.56445       21.76982 
1 1 1 8   12 11 o 778.1559 15.57195 17802.75       710.6570 17383.17       1169.678 18048.26       894.7310 766.7041 26.05069 782.9260 19.48593 -16.22192      32.53214 
1 1 1 8   12 12 f 1031.364 17.76728 31302.83       1074.690 31696.56       1559.567 30946.80       1483.005 1035.838 25.67211 1023.794 24.69900 12.04413       35.62439 
1 1 1 8   12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   12 14 o 626.1464 9.807516 11510.68       360.1517 10294.04       549.5439 12426.64       476.8247 591.3405 15.86012 650.3351 12.50176 -58.99457      20.19499 
1 1 1 8   12 15 o 466.9700 9.517480 6402.226       260.6523 6096.107       380.8369 6671.984       357.5044 455.0979 14.28637 476.2987 12.80991 -21.20081      19.18839 
1 1 1 8   12 16 o 489.2703 8.346597 7027.132       239.5018 6712.392       399.8788 7203.195       299.0794 477.4877 14.29568 495.2249 10.29754 -17.73721      17.61834 
1 1 1 8   12 17 o 497.8075 8.336182 7275.556       243.3768 7185.396       416.7928 7322.204       299.7968 493.9164 14.40391 499.2481 10.23906 -5.331726      17.67232 
1 1 1 8   12 18 o 463.6566 6.892264 6309.817       187.4170 5981.626       251.4245 6720.215       281.1559 451.2492 9.500371 478.2501 10.02401 -27.00092      13.81079 
1 1 1 8   12 19 o 573.8059 9.003600 9672.220       302.9924 9364.325       500.1832 9850.691       380.8134 563.4790 15.14939 578.7904 11.21864 -15.31140      18.85104 
1 1 1 8   12 20 f 448.5550 6.658109 5906.566       175.1528 5814.757       244.5161 6003.322       251.0188 444.8126 9.373028 451.9570 9.470188 -7.144470      13.32434 
1 1 1 8   12 21 o 104.9564 9.895337 326.7811       60.19135 391.2253       113.7809 301.7377       70.92894 113.6997 17.63392 100.4843 12.29139 13.21544       21.49497 
1 1 1 8   12 22 o 256.1530 6.139592 1926.412       92.23368 1984.200       146.6636 1888.605       118.6281 259.5564 9.651550 253.3946 7.992507 6.161804       12.53126 
1 1 1 8   12 23 o 124.7506 8.772676 459.8546       63.77455 331.1836       115.7882 515.8874       76.40907 103.8982 19.72348 132.0351 9.940448 -28.13696      22.08683 
1 1 1 8   12 24 o 50.88345 17.14939 71.78367       60.61205 111.8843       115.5058 56.54514       71.20322 65.91594 23.58702 49.55624 18.39702 16.35970       29.91317 
1 1 1 8   12 25 o 167.0180 7.511281 821.6274       73.38631 766.9807       128.0027 848.3842       89.56837 160.5027 13.73011 169.5554 9.039933 -9.052704      16.43886 
1 1 1 8   12 26 o 209.7577 6.767335 1294.233       83.14140 1346.449       133.1839 1260.891       106.4256 213.4645 10.67223 206.8117 8.794536 6.652756       13.82896 
1 1 1 8   12 27 f 181.0187 7.155140 964.6901       75.81161 1251.743       130.2150 817.4979       93.24425 205.7595 10.82885 166.3335 9.599322 39.42599       14.47104 
1 1 1 8   12 28 o 56.13240 17.90838 92.00982       66.47591 -25.36367      127.1341 136.1752       77.98620 50.94216 22.30954 66.73845 19.00935 -15.79629      29.30991 
1 1 1 8   12 29 o 339.1389 6.888791 3380.132       137.0159 3454.838       208.6717 3323.513       181.6633 342.2270 10.40888 335.8670 9.231268 6.359985       13.91262 
1 1 1 8   12 30 o 249.1497 7.668652 1827.088       111.9212 2014.915       185.3011 1719.212       140.4305 260.9428 12.14155 241.3658 9.941817 19.57704       15.69258 
1 1 1 8   12 31 o 505.1048 7.628844 7503.543       225.9908 7330.955       313.9639 7689.103       325.5493 498.5411 10.73812 510.5363 10.87276 -11.99518      15.28149 
1 1 1 8   12 32 o 277.1809 7.288773 2261.246       118.3835 2129.563       177.7757 2366.166       158.6851 268.2798 11.32430 283.1697 9.568928 -14.88983      14.82580 
1 1 1 8   12 33 o 62.18358 25.06858 59.40222       140.6884 66.26342       151.5196 16.49328       378.9158 64.68730 26.03756 89.76806 38.92426 -25.08076      46.83004 
1 1 1 8   12 34 o 195.1111 9.436090 1126.020       107.6552 1138.961       112.4344 983.4285       373.2126 196.1647 9.804071 171.6400 38.07254 24.52467       39.31460 
1 1 1 8   12 35 o 38.08618 17.16370 -38.64455      80.88756 -36.85110      82.89719 -74.29489      369.5956 38.83326 17.44855 82.97774 37.09629 -44.14448      40.99496 
1 1 1 8   12 36 o 90.41293 18.03317 254.5853       92.26620 252.9642       94.83191 283.3348       399.3543 89.98653 18.58472 106.6413 42.49239 -16.65472      46.37882 
1 1 1 8   12 37 o 191.8168 9.860436 1092.343       110.5537 1135.426       115.2054 590.9246       393.0243 195.5187 10.08098 129.5661 43.66957 65.95265       44.81805 
1 1 1 8   12 38 o 49.27411 19.38462 46.87271       82.12955 34.50174       84.26685 281.5079       366.9876 47.81010 19.35563 101.2570 40.60347 -53.44694      44.98090 
1 1 1 8   12 39 o 235.7086 8.777169 1650.232       121.1215 1628.261       127.6743 1847.943       382.9923 233.9406 9.324342 236.2603 28.19660 -2.319763      29.69834 
1 1 1 8   12 40 o 143.3924 11.47813 620.1108       95.72132 605.6512       98.89827 834.3887       380.7142 141.5085 12.03064 144.6173 42.25039 -3.108795      43.92985 
1 1 1 8   12 41 f 197.8717 9.925276 1171.998       114.8122 1227.226       120.1041 586.3935       391.0952 202.3970 10.15060 119.5423 43.32150 82.85477       44.49480 
1 1 1 8   12 42 o 116.5227 15.94535 425.7602       106.1116 431.4560       110.2849 354.7441       389.4201 117.0394 16.52631 99.97576 41.17456 17.06367       44.36736 
1 1 1 8   12 43 o 197.0088 10.19388 1168.447       117.3805 1168.110       122.3521 1172.346       416.0010 196.7515 10.64297 165.1404 42.65449 31.61116       43.96224 
1 1 1 8   12 44 o 132.1013 15.02808 546.3212       114.3616 540.1902       119.1296 618.3462       408.3170 130.9028 15.83917 114.5959 43.72392 16.30695       46.50441 
1 1 1 8   12 45 o 98.59827 19.67424 323.3929       109.7781 361.1797       114.0881 -148.5759      403.2061 104.5477 19.31840 72.47637 34.50624 32.07130       39.54594 
1 1 1 8   12 46 o 64.46963 23.57101 130.9916       116.1400 147.0796       121.0842 -54.02501      410.6206 67.17401 24.13636 75.33803 35.55907 -8.164017      42.97687 
1 1 1 8   12 47 o 145.1188 14.44654 662.7399       121.3214 675.6052       126.5127 515.5598       427.9066 146.1724 14.96887 101.0396 42.50512 45.13273       45.06387 
1 1 1 8   12 48 o 164.9819 14.00942 853.3882       134.2717 938.6978       140.0354 -119.4212      472.8823 173.1566 13.90633 75.13569 36.19217 98.02090       38.77189 
1 1 1 8   13 0  o 970.6252 22.50432 27763.27       1281.055 25371.18       1679.496 31091.22       1980.975 925.3226 30.99192 1023.726 33.03799 -98.40381      45.29909 
1 1 1 8   13 1  o 747.9758 14.76421 16440.63       647.6617 16440.63       647.6617 0.000000       0.000000 747.9758 14.76421 ?        ?        0.000000       14.76421 
1 1 1 8   13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   13 3  o 857.1082 14.20013 21584.37       713.8033 21041.33       807.3013 23529.87       1528.036 845.9995 16.27103 891.6177 29.26125 -45.61816      33.48085 
1 1 1 8   13 4  o 578.8810 15.50925 9856.518       526.0649 9856.518       526.0649 0.000000       0.000000 578.8810 15.50925 ?        ?        0.000000       15.50925 
1 1 1 8   13 5  o 1025.348 16.93122 30915.89       1018.146 30449.53       1165.104 32422.67       2094.237 1017.113 19.53192 1044.989 34.21760 -27.87622      39.39975 
1 1 1 8   13 6  o 343.5578 8.088917 3463.396       162.9824 3564.477       196.0382 3237.147       293.2903 348.3569 9.604626 331.5361 15.12383 16.82086       17.91589 
1 1 1 8   13 7  o 531.1978 8.508220 8280.392       265.0608 8508.294       377.0330 8057.686       372.7096 538.2672 11.94348 523.8077 12.13244 14.45947       17.02477 
1 1 1 8   13 8  o 459.0717 9.192658 6185.302       247.4983 6472.259       307.0926 5653.458       418.0735 469.5031 11.15271 438.1813 16.29692 31.32187       19.74772 
1 1 1 8   13 9  o 1060.128 16.05406 33046.43       998.1448 36027.87       1414.932 30092.99       1408.272 1105.639 21.82084 1010.002 23.77462 95.63678       32.27045 
1 1 1 8   13 10 o 706.5335 9.850801 14653.69       408.1830 14635.99       617.1415 14667.45       544.2256 705.6234 14.91287 706.5739 13.13321 -0.9505005     19.87146 
1 1 1 8   13 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   13 12 o 806.8524 10.81192 19116.95       511.6200 19728.52       796.0117 18686.48       667.8298 818.8814 16.57479 797.2997 14.28215 21.58167       21.87929 
1 1 1 8   13 13 o 1156.252 19.83319 39400.20       1344.917 36688.27       1711.382 43779.89       2174.847 1113.680 26.20210 1214.293 30.56327 -100.6138      40.25746 
1 1 1 8   13 14 o 416.8192 9.537131 5100.964       233.1396 0.000000       0.000000 5100.964       233.1396 ?        ?        416.8192 9.537131 0.000000       9.537131 
1 1 1 8   13 15 o 693.8091 12.82417 14150.76       521.8190 0.000000       0.000000 14150.76       521.8190 ?        ?        693.8091 12.82417 0.000000       12.82417 
1 1 1 8   13 16 f 342.1960 7.556949 3437.118       151.6603 3232.992       266.5061 3534.882       184.4365 331.2234 13.74931 346.8355 9.074988 -15.61203      16.47419 
1 1 1 8   13 17 o 338.0371 7.294743 3354.238       144.6189 3211.158       260.1212 3418.250       173.9872 330.0712 13.46575 341.0629 8.705372 -10.99176      16.03464 
1 1 1 8   13 18 o 228.4261 11.97773 1538.985       159.9008 1595.570       194.8271 1422.208       279.8826 232.3087 14.37026 217.9805 22.20272 14.32825       26.44740 
1 1 1 8   13 19 o 550.8099 7.504840 8908.812       242.4341 8628.360       329.5818 9239.471       357.8698 541.7328 10.37355 560.5147 10.88648 -18.78186      15.03749 
1 1 1 8   13 20 o 285.8213 6.182938 2398.107       103.6430 2282.858       152.4087 2497.254       141.3607 278.5246 9.343528 291.4311 8.279092 -12.90656      12.48378 
1 1 1 8   13 21 o 341.0370 6.125660 3414.540       122.5194 3387.160       177.0680 3439.690       169.7038 339.3299 8.905185 342.1091 8.458169 -2.779205      12.28181 
1 1 1 8   13 22 o 351.7043 9.911753 3642.480       204.2421 3558.552       255.1412 3792.213       340.7873 347.1862 12.55113 357.6071 16.29180 -10.42090      20.56584 
1 1 1 8   13 23 o 551.1304 7.504743 8926.042       242.5720 9058.307       349.5196 8803.139       336.9241 554.5760 10.74632 546.7618 10.50711 7.814209       15.02940 
1 1 1 8   13 24 o 439.6525 6.675291 5678.660       172.1196 5590.662       239.7760 5772.208       247.2223 435.8388 9.380572 442.8347 9.519091 -6.995911      13.36444 
1 1 1 8   13 25 o 217.5921 6.482238 1392.226       82.62930 1321.147       129.7853 1440.676       107.1517 211.4784 10.49708 221.1587 8.275823 -9.680252      13.36704 
1 1 1 8   13 26 o 226.8162 6.534647 1512.862       86.83479 1405.379       138.5934 1582.322       111.4143 218.0479 10.87207 231.7820 8.209125 -13.73409      13.62320 
1 1 1 8   13 27 o 428.1335 6.772116 5386.714       170.0412 5166.038       233.7565 5634.716       247.8071 418.8286 9.516490 437.3863 9.660467 -18.55771      13.56054 
1 1 1 8   13 28 o 69.75247 17.35773 150.3204       70.72199 246.4021       143.3795 119.4282       81.30016 89.26540 25.88513 63.39518 19.74957 25.87022       32.55895 
1 1 1 8   13 29 o 482.7272 7.484843 6851.035       211.9020 6783.397       298.1146 6920.108       301.2594 479.7117 10.59626 484.5203 10.60176 -4.808594      14.98926 
1 1 1 8   13 30 o 645.5141 10.35468 12282.83       392.0063 12378.75       467.3142 12055.07       720.1190 647.3338 12.30921 635.1134 19.35573 12.22040       22.93820 
1 1 1 8   13 31 o 94.22387 15.19725 269.9891       81.12359 252.6943       82.94263 651.3584       389.4871 90.89046 16.15178 140.8642 43.11461 -49.97369      46.04074 
1 1 1 8   13 32 o 127.8475 12.21116 487.8252       90.44759 458.6892       92.94685 1007.853       392.6750 123.7888 12.99632 174.5896 39.30058 -50.80080      41.39372 
1 1 1 8   13 33 o 305.6474 8.193402 2753.953       146.7383 2789.262       155.9339 2480.792       433.7189 307.5083 8.654966 283.1335 26.42478 24.37485       27.80607 
1 1 1 8   13 34 o 435.2397 8.137754 5582.472       207.7225 5568.042       227.5618 5654.570       508.6665 434.4576 8.931028 432.1946 20.12321 2.263062       22.01605 
1 1 1 8   13 35 o 122.5209 13.58206 451.9702       95.95732 470.4982       99.24063 185.7763       376.1614 124.9922 13.76571 98.78735 40.55308 26.20490       42.82578 
1 1 1 8   13 36 o 163.5061 10.89275 795.9631       103.8576 789.3029       107.5644 887.6322       399.0573 162.7144 11.34279 158.4204 42.19757 4.294022       43.69547 
1 1 1 8   13 37 o 40.53745 17.92306 -21.78782      83.88622 -38.19967      85.93705 309.8093       386.2844 39.31669 17.70714 105.6697 41.89299 -66.35302      45.48149 
1 1 1 8   13 38 o 171.0735 10.34910 873.5847       103.3475 925.7187       107.5700 248.3492       372.5226 176.0875 10.46344 98.45662 40.38015 77.63091       41.71379 
1 1 1 8   13 39 o 96.62989 16.50463 292.5186       90.17761 295.3993       92.76602 243.0483       384.4261 96.96342 16.92845 96.82169 40.47966 0.1417313      43.87682 
1 1 1 8   13 40 o 55.54277 20.71029 80.21765       90.42503 103.8018       92.83826 -355.8213      399.1896 59.86367 21.17482 69.70652 33.49375 -9.842850      39.62581 
1 1 1 8   13 41 o 89.30688 19.23112 258.8119       97.74487 272.1931       100.7931 47.56746       400.4768 91.58101 19.37195 84.46030 38.11494 7.120705       42.75536 
1 1 1 8   13 42 o 225.5573 9.420829 1523.664       124.3481 1550.834       130.6488 1262.179       405.3065 227.3577 9.821342 176.6914 40.04184 50.66635       41.22872 
1 1 1 8   13 43 o 156.6149 12.68623 751.1075       115.5275 725.9314       120.5163 1036.452       405.7291 153.5125 13.52416 152.8078 43.30342 0.7047119      45.36617 
1 1 1 8   13 44 o 151.3444 13.44763 707.9982       118.1196 762.4136       123.4542 118.8692       406.2098 157.0372 13.53657 83.86502 38.06248 73.17213       40.39791 
1 1 1 8   13 45 o 63.45376 23.89439 120.3898       120.9879 90.62893       126.4838 440.6976       414.9501 60.01683 23.91402 99.39796 41.83804 -39.38114      48.19027 
1 1 1 8   13 46 o 157.5255 13.00599 768.5251       119.0862 731.6725       124.3115 1179.443       415.1022 153.0382 14.00547 156.9171 43.56431 -3.878922      45.76027 
1 1 1 8   13 47 o 83.88301 23.75719 251.9205       122.1551 256.6278       127.0798 194.6926       443.0904 84.34422 24.34293 84.80751 38.96665 -0.4632874     45.94538 
1 1 1 8   13 48 o 140.7372 15.91803 634.7529       129.0823 643.8708       133.4017 500.7560       511.4013 141.4029 16.38934 97.58411 43.63057 43.81879       46.60727 
1 1 1 8   14 0  o 749.5233 14.83844 16509.66       652.2648 0.000000       0.000000 16509.66       652.2648 ?        ?        749.5233 14.83844 0.000000       14.83844 
1 1 1 8   14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 2  o 909.1409 21.11541 24344.73       1125.852 24651.25       1606.229 24048.68       1578.522 912.2998 30.06166 901.1140 29.91044 11.18585       42.40681 
1 1 1 8   14 3  o 463.0486 9.229355 6292.804       250.6389 6146.627       293.2251 6689.278       482.9141 457.5605 10.92703 476.5907 17.30595 -19.03024      20.46695 
1 1 1 8   14 4  o 642.4531 13.29777 12124.95       501.0382 11669.43       609.4198 13075.09       880.1539 629.7500 16.51478 665.6556 22.57811 -35.90558      27.97336 
1 1 1 8   14 5  o 877.3605 14.68686 22622.28       755.7142 22222.57       863.4140 23931.32       1562.531 869.2589 16.93633 898.8576 29.68131 -29.59869      34.17338 
1 1 1 8   14 6  o 200.6431 12.55284 1187.049       146.9722 1006.340       234.4520 1304.035       188.6388 183.4586 22.24427 210.0583 15.41976 -26.59976      27.06615 
1 1 1 8   14 7  o 236.8246 7.863571 1647.545       109.0673 1665.657       135.7072 1614.504       183.2938 238.0132 9.742499 234.0384 13.41010 3.974823       16.57549 
1 1 1 8   14 8  o 608.5513 10.73912 10873.28       383.2804 11473.51       500.2808 10020.31       596.3737 624.8812 13.65104 583.3359 17.45170 41.54529       22.15656 
1 1 1 8   14 9  o 179.3227 9.374729 946.4581       98.25024 920.1209       102.4888 1245.262       345.2112 176.7627 9.926212 202.9537 29.89731 -26.19102      31.50205 
1 1 1 8   14 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 12 f 296.4396 8.294400 2581.185       144.0604 2473.602       278.2945 2620.567       168.3756 289.4681 16.46066 298.6083 9.627082 -9.140228      19.06919 
1 1 1 8   14 13 o 1092.729 15.37439 35128.82       985.2826 31634.80       1452.352 38108.02       1341.090 1034.564 23.93668 1136.803 20.11509 -102.2396      31.26630 
1 1 1 8   14 14 o 365.6500 8.697721 3925.137       186.5183 0.000000       0.000000 3925.137       186.5183 ?        ?        365.6500 8.697721 0.000000       8.697721 
1 1 1 8   14 15 o 429.2204 8.006647 5408.285       201.5494 5296.569       348.9980 5464.189       246.8805 424.0485 14.05262 431.3177 9.759757 -7.269226      17.10932 
1 1 1 8   14 16 o 170.1625 16.87849 861.9548       166.2235 749.8893       203.6363 1085.724       287.7523 157.5756 22.68818 189.3592 26.64692 -31.78362      34.99731 
1 1 1 8   14 17 o 379.0447 7.492474 4218.159       166.5582 3788.724       274.8405 4467.413       209.3885 358.5546 13.09196 389.9676 9.155324 -31.41299      15.97558 
1 1 1 8   14 18 o 479.1003 8.125347 6741.566       228.3068 6418.763       373.2590 6934.526       288.5859 466.6199 13.65412 485.6955 10.13119 -19.07556      17.00224 
1 1 1 8   14 19 o 450.4424 7.793692 5959.546       205.8889 5658.974       338.9044 6135.371       259.2049 438.0673 13.20633 456.8358 9.674591 -18.76852      16.37085 
1 1 1 8   14 20 o 319.9398 7.019114 3006.144       131.7046 2965.166       242.8539 3023.218       156.7592 316.8958 13.09528 320.6399 8.343226 -3.744080      15.52726 
1 1 1 8   14 21 o 347.5514 6.200212 3546.705       126.3793 3523.023       183.0094 3568.292       174.7325 346.0201 9.025944 348.4026 8.551488 -2.382507      12.43365 
1 1 1 8   14 22 o 156.0133 7.021888 716.4913       64.08427 779.5646       122.2305 692.5814       75.25694 162.0346 12.97061 153.2535 8.405272 8.781158       15.45591 
1 1 1 8   14 23 o 347.9868 6.224262 3556.528       127.0285 3683.786       190.3602 3454.369       170.5576 353.7143 9.184187 342.7224 8.485511 10.99185       12.50413 
1 1 1 8   14 24 o 374.0645 8.059484 4114.897       176.8089 4095.861       202.9292 4174.895       360.2614 373.0248 9.275908 374.7447 16.43194 -1.719879      18.86931 
1 1 1 8   14 25 o 256.7503 6.096973 1936.378       91.80701 1994.033       147.4005 1899.837       117.3479 260.0268 9.682548 254.0481 7.885606 5.978729       12.48737 
1 1 1 8   14 26 o 233.7742 9.404632 1611.860       128.6772 1619.913       142.9423 1577.443       295.4911 234.2031 10.43299 228.2267 22.36310 5.976395       24.67703 
1 1 1 8   14 27 o 62.87197 16.35411 121.7123       60.86493 115.8785       62.02352 273.5008       316.3754 61.46305 16.75190 103.5190 38.71063 -42.05592      42.17984 
1 1 1 8   14 28 o 341.9508 7.711296 3438.368       154.6470 3529.577       169.1571 2974.100       381.6415 346.3770 8.327042 314.6624 20.79708 31.71457       22.40219 
1 1 1 8   14 29 o 250.8472 8.297986 1853.251       121.9086 1806.004       127.6643 2342.067       410.6350 247.5570 8.807169 277.2652 25.53963 -29.70818      27.01553 
1 1 1 8   14 30 o 364.2808 7.865034 3903.581       168.0302 3903.258       181.2523 3905.552       448.1588 364.1716 8.486470 360.2086 21.30945 3.962982       22.93715 
1 1 1 8   14 31 o 73.93629 18.58175 169.7151       80.46864 151.9363       82.16693 586.5136       397.8414 70.15137 19.34629 134.5751 43.88863 -64.42377      47.96344 
1 1 1 8   14 32 o 235.6811 8.895892 1639.377       122.7395 1637.187       128.2588 1663.193       422.9576 235.4518 9.306597 228.7625 32.43370 6.689301       33.74252 
1 1 1 8   14 33 o 421.0460 8.124325 5223.086       200.6168 5170.089       220.4315 5478.746       484.1514 418.6869 8.977053 426.1211 19.42412 -7.434204      21.39822 
1 1 1 8   14 34 o 301.9436 8.121899 2689.085       143.6943 2672.810       152.5189 2817.636       428.6591 300.9102 8.651420 302.2163 24.39193 -1.306091      25.88075 
1 1 1 8   14 35 o 174.8149 10.40740 907.5869       106.2187 894.0016       109.9702 1096.572       410.1621 173.3981 10.86851 178.6563 40.12899 -5.258255      41.57475 
1 1 1 8   14 36 f 47.82629 19.91588 20.16531       92.51014 39.60573       94.83191 -362.3339      420.6462 50.95178 20.56701 75.33237 35.68569 -24.38059      41.18823 
1 1 1 8   14 37 o 227.5627 9.092969 1536.051       121.1106 1541.892       126.3295 1469.707       425.7554 227.8850 9.472979 206.1111 36.56023 21.77391       37.76754 
1 1 1 8   14 38 o 200.8082 9.167492 1199.356       107.6801 1202.130       111.8056 1163.840       400.0891 200.9318 9.514806 177.8758 39.39186 23.05603       40.52468 
1 1 1 8   14 39 f 90.48521 18.63238 261.9626       95.58224 231.8546       98.38802 767.3767       403.1113 84.54977 20.13210 137.2540 44.13164 -52.70421      48.50673 
1 1 1 8   14 40 o 95.50331 17.58946 290.0757       94.89028 270.7668       97.49606 636.8833       413.1935 91.74446 18.75364 123.4702 44.55808 -31.72574      48.34378 
1 1 1 8   14 41 o 55.95597 21.04208 81.95867       93.75623 86.84331       96.51360 0.1183255      395.0538 57.09337 21.37446 81.32091 37.15025 -24.22754      42.86034 
1 1 1 8   14 42 o 58.16445 21.79756 92.69441       100.4252 66.50242       104.1530 439.0664       378.7555 54.78618 21.74260 104.0461 41.40706 -49.25991      46.76842 
1 1 1 8   14 43 o 87.89916 20.65367 258.7873       104.6550 274.5938       108.4112 42.46937       401.0543 90.49964 20.85426 81.05568 37.17972 9.443962       42.62900 
1 1 1 8   14 44 o 86.90133 22.67066 260.8823       116.7350 232.6726       121.2423 619.2635       432.1432 81.65970 23.83884 111.7905 44.31306 -30.13084      50.31837 
1 1 1 8   14 45 f 60.51212 23.19408 104.1029       115.2441 104.3303       119.8890 101.3374       418.0746 60.98636 23.58324 81.83016 37.69029 -20.84380      44.46040 
1 1 1 8   14 46 o 166.1943 13.44071 859.0971       129.8884 892.3737       136.4945 540.0673       422.6310 169.0773 13.88739 103.2599 42.74620 65.81741       44.94550 
1 1 1 8   14 47 o 149.4019 15.75432 712.4280       135.9646 749.5958       143.3031 377.1606       430.3950 152.9115 16.22698 92.59861 40.78362 60.31292       43.89326 
1 1 1 8   14 48 o 129.9980 18.14609 557.1807       134.5825 548.8669       140.3802 651.6406       473.1848 128.1407 19.27617 104.9163 44.44484 23.22440       48.44496 
1 1 1 8   15 0  o 822.7960 15.78115 19903.57       761.5201 0.000000       0.000000 19903.57       761.5201 ?        ?        822.7960 15.78115 0.000000       15.78115 
1 1 1 8   15 1  o 332.2217 16.10671 3252.829       312.8883 3252.829       312.8883 0.000000       0.000000 332.2217 16.10671 ?        ?        0.000000       16.10671 
1 1 1 8   15 2  o 326.5848 7.253231 3129.335       138.9242 2758.291       291.4276 3238.449       158.0364 305.8402 16.30641 332.2068 8.111444 -26.36655      18.21248 
1 1 1 8   15 3  o 96.03919 9.849273 273.5833       54.69061 223.4152       234.9482 276.4574       56.23539 94.00109 33.63972 96.52129 10.08282 -2.520203      35.11829 
1 1 1 8   15 4  o 232.4213 6.763674 1586.177       92.09730 1442.686       259.6279 1606.832       98.50300 220.4001 20.31421 233.9109 7.188931 -13.51074      21.54873 
1 1 1 8   15 5  o 635.3431 10.41397 11850.79       388.0387 11288.42       615.3083 12222.14       500.0017 619.2548 16.95829 644.9893 13.21808 -25.73450      21.50119 
1 1 1 8   15 6  f 203.7458 14.09575 1225.762       167.3949 1034.259       272.9374 1341.227       211.9342 185.3883 25.80149 212.8410 17.12272 -27.45268      30.96618 
1 1 1 8   15 7  o 329.3056 10.58724 3187.250       204.2057 3201.071       341.5543 3179.562       254.7502 329.3386 17.74901 328.6950 13.24222 0.6435547      22.14461 
1 1 1 8   15 8  o 1140.321 19.75234 38304.64       1320.979 39609.50       1944.180 37185.66       1800.389 1156.681 28.65974 1121.198 27.38001 35.48352       39.63642 
1 1 1 8   15 9  o 428.3819 9.420440 5387.043       236.6752 5477.538       281.8964 5170.883       435.6794 431.7292 11.14271 418.7493 17.78083 12.97989       20.98375 
1 1 1 8   15 10 o 507.6801 10.87942 7569.265       323.9265 7632.137       541.3814 7534.205       404.2778 508.7804 18.17274 506.1041 13.63280 2.676331       22.71788 
1 1 1 8   15 11 o 659.8699 12.51075 12795.07       484.1637 0.000000       0.000000 12795.07       484.1637 ?        ?        659.8699 12.51075 0.000000       12.51075 
1 1 1 8   15 12 o 587.5918 9.452671 10137.42       325.7473 9610.388       523.9644 10469.46       415.8878 571.2659 15.65390 596.9161 11.87989 -25.65021      19.65137 
1 1 1 8   15 13 o 315.4871 7.114330 2920.994       131.6334 2759.136       261.8555 2975.727       152.2717 305.8805 14.63936 318.2845 8.164165 -12.40405      16.76199 
1 1 1 8   15 14 o 892.5697 11.74570 23418.37       614.8535 23169.24       903.5400 23633.22       839.0999 886.5356 17.37804 895.7354 15.97289 -9.199829      23.60359 
1 1 1 8   15 15 o 170.0379 7.250751 850.2410       72.14085 545.4532       190.0846 901.5283       77.97462 133.4442 25.21196 175.0759 7.612293 -41.63168      26.33610 
1 1 1 8   15 16 o 288.9773 7.022869 2451.370       119.0224 2269.178       223.8625 2523.167       140.5310 277.2707 13.81007 293.0091 8.185900 -15.73837      16.05388 
1 1 1 8   15 17 o 377.8082 10.18530 4199.084       225.4754 4077.714       283.4392 4408.259       372.0986 371.9259 13.01436 386.1273 16.46932 -14.20135      20.99076 
1 1 1 8   15 18 o 142.2813 16.58202 605.9216       135.7775 666.4828       161.5169 460.0179       250.6997 148.8843 18.92479 121.5609 33.89566 27.32345       38.82092 
1 1 1 8   15 19 o 589.7960 9.163698 10226.40       316.9736 9884.256       520.7106 10427.82       399.5255 578.3243 15.36595 595.1550 11.44627 -16.83069      19.16062 
1 1 1 8   15 20 o 232.9852 11.07006 1601.850       150.8289 1603.102       183.7364 1599.263       264.1144 232.7172 13.52042 231.2399 19.66132 1.477249       23.86146 
1 1 1 8   15 21 o 334.7348 6.740847 3291.116       132.3323 3181.273       142.6848 3966.729       353.8681 329.0461 7.393849 365.6071 16.54639 -36.56110      18.12325 
1 1 1 8   15 22 o 41.58579 14.59946 45.07114       44.07084 52.01476       44.70603 -194.0858      262.3705 43.51426 14.72817 64.32302 29.70933 -20.80876      33.15966 
1 1 1 8   15 23 o 304.9218 6.776990 2731.894       121.1925 2685.269       130.3367 3029.636       329.3648 302.2552 7.352623 318.7982 17.68545 -16.54306      19.15297 
1 1 1 8   15 24 o 166.7069 7.979666 819.1749       77.79039 792.1208       80.48139 1203.560       303.3630 163.8780 8.401878 197.7350 26.85271 -33.85703      28.13645 
1 1 1 8   15 25 o 92.22570 11.46623 254.7578       60.68336 283.2207       62.00568 -391.3080      295.4133 97.38173 11.05208 60.52367 29.01085 36.85806       31.04477 
1 1 1 8   15 26 o 102.5552 20.39061 325.0425       118.3221 291.4822       127.7636 527.2660       313.6244 96.62698 22.89800 128.4176 38.56098 -31.79065      44.84716 
1 1 1 8   15 27 o 237.0784 7.889291 1654.807       109.5406 1687.427       115.1048 1341.668       356.6305 239.3665 8.211512 207.6403 30.16777 31.72626       31.26537 
1 1 1 8   15 28 o 409.1939 7.932796 4924.505       190.3732 4838.490       205.7184 5437.389       502.3380 405.4913 8.650496 426.1077 20.15854 -20.61636      21.93623 
1 1 1 8   15 29 o 220.4118 8.728951 1432.172       112.6128 1438.878       117.5295 1357.023       393.4590 220.8784 9.092276 207.2490 33.51438 13.62939       34.72583 
1 1 1 8   15 30 o 63.20212 19.19241 120.3074       77.38142 124.3575       79.24409 37.18183       359.0072 64.18781 19.40742 89.55893 38.34979 -25.37112      42.98086 
1 1 1 8   15 31 o 420.8258 8.110463 5213.659       200.1698 5206.589       218.2890 5251.018       501.8047 420.3814 8.853965 417.4179 20.56135 2.963470       22.38665 
1 1 1 8   15 32 o 43.27937 18.38424 3.712643       81.33685 6.695724       83.41307 -53.98259      366.8356 44.19407 18.68818 84.29920 37.36552 -40.10513      41.77834 
1 1 1 8   15 33 o 281.5561 8.234982 2338.423       135.8348 2242.176       142.0868 3360.473       463.0159 275.5793 8.802662 330.6602 24.04031 -55.08087      25.60124 
1 1 1 8   15 34 o 348.0354 8.067804 3570.731       164.6756 3568.510       176.1269 3586.162       464.2773 347.7942 8.634809 341.5580 23.31711 6.236115       24.86458 
1 1 1 8   15 35 o 161.8291 11.42496 780.9154       107.7361 772.9652       110.9974 910.2750       447.7371 160.8994 11.84577 158.5276 45.67411 2.371811       47.18524 
1 1 1 8   15 36 o 112.4863 15.33389 386.8437       98.52747 420.2124       101.6490 -131.5589      400.6518 117.3782 15.11668 81.73750 37.36787 35.64072       40.30970 
1 1 1 8   15 37 o 185.1727 9.979024 1021.574       107.9713 1026.623       111.9957 955.0826       406.4215 185.5257 10.33395 159.1809 42.66849 26.34483       43.90205 
1 1 1 8   15 38 o 178.2183 10.57558 950.8123       110.0397 998.9673       114.5009 368.7136       398.0950 182.6332 10.73740 105.9851 42.36051 76.64809       43.70016 
1 1 1 8   15 39 o 46.62545 19.54865 20.45575       90.04007 30.54866       92.37061 -172.0225      403.3818 48.44030 20.01187 76.53764 35.84736 -28.09734      41.05494 
1 1 1 8   15 40 o 82.19970 25.82980 226.8046       138.7565 211.0787       146.9739 355.7567       420.8694 79.92873 26.70227 102.5014 42.56451 -22.57268      50.24687 
1 1 1 8   15 41 o 97.06606 19.58738 307.6373       107.6558 314.4384       111.8004 220.9779       399.0833 97.89130 20.14583 91.75054 39.86409 6.140755       44.66542 
1 1 1 8   15 42 o 201.3705 10.10031 1220.431       118.9028 1271.586       124.4438 684.0586       402.9588 205.4190 10.36304 121.7618 43.99459 83.65721       45.19864 
1 1 1 8   15 43 o 60.01155 22.59487 101.6944       108.1770 139.4949       111.8758 -441.7710      424.2028 66.18493 23.25903 66.36832 32.48817 -0.1833954     39.95577 
1 1 1 8   15 44 o 126.0058 15.45005 502.0592       111.7885 540.9976       115.9570 -10.50002      420.7071 130.8831 15.40090 78.35860 36.67075 52.52451       39.77351 
1 1 1 8   15 45 o 50.75215 21.40987 35.19937       109.0501 55.48634       113.1683 -228.4275      407.9537 53.80189 22.18111 69.36092 33.46186 -15.55903      40.14595 
1 1 1 8   15 46 o 63.56889 23.35498 128.2457       114.2369 178.0578       119.3938 -411.3109      392.9455 71.56670 24.06889 62.52814 30.74194 9.038567       39.04329 
1 1 1 8   15 47 o 56.05973 23.22009 64.87594       124.8059 121.8362       131.5317 -449.7440      395.3553 63.70105 24.68311 61.47313 30.34046 2.227921       39.11265 
1 1 1 8   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   16 1  f 525.9429 16.73448 8144.759       515.5233 8144.759       515.5233 0.000000       0.000000 525.9429 16.73448 ?        ?        0.000000       16.73448 
1 1 1 8   16 2  o 563.7661 17.06292 9358.740       563.5115 9358.740       563.5115 0.000000       0.000000 563.7661 17.06292 ?        ?        0.000000       17.06292 
1 1 1 8   16 3  o 799.0435 20.57586 18823.83       963.4243 18823.83       963.4243 0.000000       0.000000 799.0435 20.57586 ?        ?        0.000000       20.57586 
1 1 1 8   16 4  o 232.6875 7.177610 1590.136       97.83266 1505.340       286.4988 1601.329       104.0895 224.8967 22.00266 233.4836 7.611683 -8.586914      23.28206 
1 1 1 8   16 5  o 652.8831 10.55435 12515.68       404.1265 12338.19       675.5319 12614.60       504.3254 647.2204 17.81379 655.2264 13.12408 -8.006042      22.12629 
1 1 1 8   16 6  o 364.1630 7.794063 3891.588       166.4601 4025.076       364.6814 3856.456       187.0870 369.4820 16.87399 362.4794 8.800549 7.002594       19.03106 
1 1 1 8   16 7  o 293.6765 7.494014 2532.448       128.9672 2333.310       314.5304 2572.695       141.4003 280.7986 19.21509 295.9663 8.154018 -15.16779      20.87361 
1 1 1 8   16 8  o 491.2781 9.877014 7086.228       284.5795 6911.321       448.3714 7204.217       368.2628 484.4533 15.80218 494.9891 12.69610 -10.53586      20.27066 
1 1 1 8   16 9  f 843.3150 21.71171 20998.38       1072.934 0.000000       0.000000 20998.38       1072.934 ?        ?        843.3150 21.71171 0.000000       21.71171 
1 1 1 8   16 10 o 518.9300 11.33961 7910.725       345.1099 7761.887       460.4353 8101.541       521.3371 513.4214 15.30839 524.2977 16.97708 -10.87634      22.85975 
1 1 1 8   16 11 o 642.9997 12.35902 12151.84       466.0638 11219.97       580.1767 13847.27       782.5688 617.1618 16.04276 684.9467 19.50103 -67.78485      25.25194 
1 1 1 8   16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   16 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   16 14 o 298.7196 10.97824 2626.469       192.0028 2752.442       243.6594 2420.113       311.8552 305.5052 13.63357 285.6855 18.71597 19.81970       23.15517 
1 1 1 8   16 15 o 93.93291 25.65929 270.8976       145.3281 182.4891       174.5745 470.4714       262.2921 82.87722 29.06002 123.3194 34.77310 -40.44213      45.31725 
1 1 1 8   16 16 o 434.7763 10.06560 5556.746       256.6587 5416.549       329.9805 5771.452       408.3589 428.6873 13.14045 442.0299 15.77746 -13.34265      20.53289 
1 1 1 8   16 17 o 374.6466 7.197113 4121.674       158.1360 4223.194       180.5744 3787.640       327.5490 379.1599 8.120510 357.8766 15.64383 21.28333       17.62589 
1 1 1 8   16 18 o 582.0701 9.814365 9963.958       335.0334 10100.81       418.6407 9720.176       558.7472 585.5934 12.18975 573.1149 16.64115 12.47858       20.62808 
1 1 1 8   16 19 o 483.1450 8.850756 6862.944       250.7889 6712.361       299.3809 7217.213       459.2000 477.5293 10.68990 493.7824 15.87745 -16.25314      19.14072 
1 1 1 8   16 20 o 262.4074 8.016342 2025.754       123.2234 2042.537       135.4616 1945.259       296.6646 263.4079 8.781006 254.9670 19.99949 8.440964       21.84229 
1 1 1 8   16 21 o 414.6406 8.421673 5055.609       204.7956 5117.292       242.3593 4901.589       382.9724 416.9392 9.911432 406.4704 16.09710 10.46881       18.90379 
1 1 1 8   16 22 o 238.6576 7.057514 1675.232       98.67341 1662.251       105.3525 1767.983       281.6067 237.6769 7.567655 242.7013 19.96054 -5.024445      21.34696 
1 1 1 8   16 23 o 211.7459 8.231654 1320.806       102.0292 1220.874       108.8571 2043.273       292.6943 203.4539 9.146442 261.1007 19.24952 -57.64680      21.31200 
1 1 1 8   16 24 o 406.7803 8.524794 4868.963       203.3735 4653.932       232.6800 5564.924       418.6023 397.3173 9.993461 432.5305 16.53235 -35.21320      19.31807 
1 1 1 8   16 25 o 313.1404 8.380066 2887.108       153.7611 2867.609       172.3185 2963.292       340.6107 311.9120 9.430799 314.7962 18.53121 -2.884216      20.79292 
1 1 1 8   16 26 o 125.2509 18.04515 476.1896       128.7342 500.8993       138.8764 325.3126       343.1671 128.2872 19.03479 109.9571 40.46518 18.33012       44.71861 
1 1 1 8   16 27 o 178.3029 9.050261 938.2197       94.32944 986.0250       97.52325 244.0070       371.6348 182.7907 9.125975 105.5079 41.31633 77.28283       42.31220 
1 1 1 8   16 28 o 193.7421 9.195736 1107.661       104.1885 1140.318       108.0514 675.2662       393.1686 196.5561 9.400562 143.8235 43.17229 52.73268       44.18390 
1 1 1 8   16 29 o 203.1714 8.851182 1217.683       105.2134 1194.835       108.9580 1533.052       404.8061 201.1961 9.258803 220.8117 32.20688 -19.61559      33.51132 
1 1 1 8   16 30 o 273.4752 8.296797 2203.817       132.9157 2182.864       139.7380 2402.827       430.6456 272.0933 8.768264 279.4926 26.59241 -7.399323      28.00070 
1 1 1 8   16 31 o 380.2809 8.105862 4258.923       180.7816 4219.114       193.7613 4526.546       502.3857 378.3691 8.731743 386.0670 22.28298 -7.697937      23.93270 
1 1 1 8   16 32 o 168.4121 10.53597 841.5856       103.5421 842.7662       106.8941 823.6429       416.7310 168.4658 10.87725 154.4289 43.92817 14.03683       45.25481 
1 1 1 8   16 33 o 223.2431 9.141277 1473.423       119.4307 1508.473       124.3774 1058.889       427.7341 225.8324 9.411475 175.2021 42.14426 50.63029       43.18234 
1 1 1 8   16 34 o 302.5624 8.522256 2703.419       151.0732 2755.350       161.9504 2355.317       419.2958 305.3192 9.054356 274.2132 26.39828 31.10605       27.90789 
1 1 1 8   16 35 o 198.4576 10.47253 1170.712       121.4590 1172.321       126.4220 1151.422       437.7826 198.4826 10.90237 179.9696 42.21158 18.51302       43.59678 
1 1 1 8   16 36 o 83.45271 19.31470 221.2957       92.65984 238.4125       95.33958 -70.41689      393.5858 86.68151 19.25479 83.04452 37.60089 3.636993       42.24422 
1 1 1 8   16 37 o 164.4537 11.01187 810.4558       105.5954 809.3510       109.4287 825.4020       402.4816 164.2041 11.43455 145.3732 43.69040 18.83093       45.16193 
1 1 1 8   16 38 o 55.95468 20.99957 79.48255       93.27744 54.45105       95.94463 511.0164       398.3682 52.53756 20.86243 115.6066 43.39521 -63.06907      48.14961 
1 1 1 8   16 39 o 88.34055 25.37020 263.7533       138.3548 323.8877       148.4067 -135.5870      382.4399 97.59861 25.61084 75.70660 35.27538 21.89201       43.59206 
1 1 1 8   16 40 o 111.2309 16.51166 389.5557       104.4487 406.3268       108.0728 152.0000       406.7406 113.5407 16.73076 89.46433 39.51484 24.07637       42.91084 
1 1 1 8   16 41 o 78.59021 28.13047 205.0313       164.3028 240.2284       180.8179 38.32780       393.5138 83.54308 29.55126 81.54226 37.18489 2.000824       47.49730 
1 1 1 8   16 42 o 76.63131 21.99039 198.5606       103.9856 216.0033       107.7744 -36.52454      395.6590 79.74368 22.21994 77.54443 36.04657 2.199249       42.34479 
1 1 1 8   16 43 f 55.42200 21.69882 76.01236       102.4886 76.43526       105.9815 69.91177       402.5258 55.93522 22.01566 81.17656 37.23988 -25.24134      43.26081 
1 1 1 8   16 44 o 119.3479 17.31170 460.3127       117.6399 480.6323       123.4758 260.4672       387.2321 121.6608 17.83476 88.37334 38.81183 33.28745       42.71342 
1 1 1 8   16 45 o 52.03279 21.73897 44.38872       110.7556 103.6720       114.7296 -767.1573      424.4885 60.23735 23.12866 57.99363 29.06824 2.243721       37.14698 
1 1 1 8   16 46 o 39.16230 18.62300 -113.1409      116.7364 -63.76084      121.4942 -706.8352      421.2705 43.51675 20.14073 58.28706 29.17788 -14.77031      35.45416 
1 1 1 8   16 47 o 51.72709 22.00550 37.05472       116.8359 33.06943       121.4154 86.91537       429.4599 51.98636 22.28244 79.25302 37.07664 -27.26666      43.25719 
1 1 1 8   17 0  o 851.8229 13.12526 21321.41       655.7040 19947.13       992.1860 22387.02       873.6870 822.6802 20.56418 872.2263 17.07954 -49.54602      26.73194 
1 1 1 8   17 1  o 520.0013 13.63503 7952.358       415.4665 0.000000       0.000000 7952.358       415.4665 ?        ?        520.0013 13.63503 0.000000       13.63503 
1 1 1 8   17 2  o 789.3658 12.35045 18305.40       571.7570 16907.99       856.1069 19430.54       768.1917 757.3910 19.28905 812.7364 16.11645 -55.34540      25.13578 
1 1 1 8   17 3  o 210.7956 23.00304 1326.697       279.7695 1326.697       279.7695 0.000000       0.000000 210.7956 23.00304 ?        ?        0.000000       23.00304 
1 1 1 8   17 4  o 467.5996 8.414934 6417.296       230.7679 6234.756       413.5150 6499.858       278.1014 460.1762 15.34349 470.5078 10.07827 -10.33160      18.35740 
1 1 1 8   17 5  o 321.2283 7.449709 3027.997       140.3472 2448.695       299.5395 3190.945       158.8643 287.8450 17.83128 329.7332 8.215107 -41.88818      19.63269 
1 1 1 8   17 6  o 413.6731 8.071644 5022.329       195.8258 4739.354       356.5624 5144.544       234.3288 401.1325 15.18385 418.6052 9.544883 -17.47269      17.93472 
1 1 1 8   17 7  o 539.9095 9.161373 8557.639       290.0896 8279.658       486.3519 8711.147       361.4181 530.2641 15.65610 544.5687 11.31636 -14.30463      19.31770 
1 1 1 8   17 8  o 245.5743 14.64145 1780.007       209.9140 1932.149       263.1095 1513.580       348.1765 255.5275 17.66566 224.4802 26.98724 31.04727       32.25503 
1 1 1 8   17 9  o 601.7053 12.17904 10640.33       429.7813 10687.28       593.4529 10588.54       623.2461 602.1926 16.82000 599.2310 17.75391 2.961609       24.45636 
1 1 1 8   17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 11 o 446.2051 10.74591 5850.233       281.2084 5623.515       360.5519 6202.328       449.3182 436.9301 14.08878 458.4716 16.73866 -21.54160      21.87868 
1 1 1 8   17 12 o 613.2549 12.16509 11059.36       437.5291 11854.88       645.5408 10383.41       595.0568 633.7629 17.38428 593.1547 17.12359 40.60822       24.40145 
1 1 1 8   17 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 14 o 182.6286 14.91721 989.4200       158.3836 943.7741       189.2624 1096.086       289.3183 177.7896 18.41773 190.0471 26.69227 -12.25757      32.42977 
1 1 1 8   17 15 o 160.8415 15.82542 770.5813       147.3495 763.9533       173.6786 787.6069       278.3595 159.6091 18.92169 159.4477 30.88298 0.1614838      36.21862 
1 1 1 8   17 16 o 355.0438 10.01601 3709.627       208.3497 3678.424       260.6395 3764.860       346.7715 353.1801 12.60347 356.5745 16.62801 -3.394318      20.86476 
1 1 1 8   17 17 o 177.6806 14.13216 937.1912       146.0524 949.9359       172.1108 904.4006       276.0689 178.4775 16.63427 171.3922 28.46272 7.085358       32.96703 
1 1 1 8   17 18 o 87.95417 10.90202 231.1975       55.03286 233.8994       56.45596 179.6218       246.6605 88.43938 11.13060 89.46525 34.01992 -1.025871      35.79449 
1 1 1 8   17 19 o 128.9451 10.47386 492.6928       78.52530 499.7539       81.91309 412.5860       275.8990 129.8218 10.85795 115.9620 36.42017 13.85977       38.00426 
1 1 1 8   17 20 o 277.6981 10.97783 2275.541       178.4363 2251.507       214.9998 2328.735       319.8604 275.8172 13.33074 279.0319 19.67200 -3.214722      23.76333 
1 1 1 8   17 21 o 419.5115 8.425624 5176.330       207.2986 5176.049       245.1079 5177.037       388.4991 419.2470 9.968661 417.6386 15.89029 1.608368       18.75834 
1 1 1 8   17 22 o 300.0236 8.283988 2649.795       145.6229 2690.907       161.3857 2469.640       337.8336 302.2213 9.115617 286.8830 20.20855 15.33832       22.16935 
1 1 1 8   17 23 o 296.2609 7.115962 2579.943       123.6398 2620.615       132.9388 2319.353       336.4987 298.4407 7.601454 277.6712 20.81491 20.76956       22.15948 
1 1 1 8   17 24 o 219.6321 10.50197 1425.209       134.8829 1504.584       148.4688 1050.074       322.7644 225.5547 11.25921 182.7961 31.22766 42.75864       33.19543 
1 1 1 8   17 25 o 50.85248 22.13404 -18.14094      123.4928 -34.60545      132.9715 85.14750       333.0506 51.32400 22.63434 90.30929 37.71155 -38.98529      43.98266 
1 1 1 8   17 26 o 24.44893 11.96854 -111.7998      57.58818 -110.9934      58.45248 -138.4645      336.1232 24.80006 12.12292 77.37669 34.91837 -52.57663      36.96292 
1 1 1 8   17 27 f 344.4610 7.983773 3490.024       161.2868 3462.185       172.3952 3685.395       456.7007 343.0048 8.569873 349.6643 22.38811 -6.659485      23.97228 
1 1 1 8   17 28 o 281.0684 8.112411 2326.255       133.5851 2334.492       141.4813 2258.575       405.5340 281.4966 8.579909 271.8833 25.73928 9.613312       27.13163 
1 1 1 8   17 29 o 243.3067 8.228724 1744.492       117.2496 1712.888       122.2305 2108.740       414.9582 241.0260 8.661075 261.4228 27.47533 -20.39674      28.80813 
1 1 1 8   17 30 o 189.7362 9.399687 1064.034       104.2701 1079.489       107.6658 830.5447       418.4767 191.0740 9.638975 156.4427 43.85520 34.63124       44.90199 
1 1 1 8   17 31 o 143.0941 10.85326 608.7859       90.40275 616.3230       92.66403 459.9850       411.7285 143.9442 11.06133 122.4455 44.43878 21.49870       45.79474 
1 1 1 8   17 32 o 94.25239 16.10557 272.6480       85.83116 280.6514       87.78581 98.90614       409.0149 95.62664 16.23271 96.50127 41.11712 -0.8746262     44.20541 
1 1 1 8   17 33 o 267.0300 8.499588 2105.501       132.9398 2094.667       140.0856 2203.643       421.6205 266.2334 8.984690 264.8021 27.55111 1.431335       28.97910 
1 1 1 8   17 34 o 158.9975 11.60866 754.5325       107.5029 714.1962       110.6512 1433.262       453.8957 154.4960 12.31387 204.5128 39.27019 -50.01683      41.15555 
1 1 1 8   17 35 f 38.06296 17.42469 -55.26551      87.50509 -39.18768      89.55003 -395.2857      411.8171 40.16333 18.08311 72.75361 34.70370 -32.59028      39.13241 
1 1 1 8   17 36 o 67.87842 20.81333 144.3724       90.71472 159.9349       93.07433 -150.9347      405.4405 71.01645 20.92936 79.84145 36.89633 -8.825005      42.41907 
1 1 1 8   17 37 o 171.9669 10.77274 886.2756       108.1021 935.6340       113.4727 401.5643       355.5928 176.6245 11.00918 107.2561 40.83228 69.36838       42.29039 
1 1 1 8   17 38 o 50.92954 19.99921 54.46856       87.28133 64.58101       89.49933 -142.0038      394.4958 52.88481 20.39600 76.89000 35.82689 -24.00519      41.22575 
1 1 1 8   17 39 o 60.83850 21.77434 107.3029       98.43958 101.8184       101.3958 197.2648       410.6607 60.24147 22.02423 92.88246 40.39619 -32.64100      46.00998 
1 1 1 8   17 40 o 89.91080 19.45269 264.4785       99.58977 245.3952       102.8768 548.8762       397.1489 86.06218 20.64727 113.3814 43.15512 -27.31919      47.84009 
1 1 1 8   17 41 o 46.87568 20.08619 12.71748       98.60900 15.30629       102.2689 -21.52244      371.9285 47.89448 20.48763 76.98467 35.49124 -29.09019      40.98013 
1 1 1 8   17 42 o 54.42117 24.37468 -19.21113      160.3602 -71.32030      175.4042 246.0719       395.7652 53.06994 24.43253 90.24849 39.44649 -37.17855      46.40015 
1 1 1 8   17 43 o 41.00529 18.96620 -63.91957      107.4822 -79.22214      111.3222 146.4822       412.7856 40.66449 18.97557 84.43427 38.33997 -43.76979      42.77880 
1 1 1 8   17 44 o 93.02172 21.06355 295.4937       112.2319 305.1496       116.3678 166.8533       424.7426 94.29082 21.51928 84.60980 38.60234 9.681015       44.19525 
1 1 1 8   17 45 o 65.89987 23.89652 141.6736       119.0236 145.6516       124.5630 99.90993       403.6091 66.76484 24.41070 79.83864 36.86587 -13.07380      44.21510 
1 1 1 8   17 46 o 147.4346 14.92432 688.7476       127.2706 673.6821       133.6463 835.4432       417.0349 145.0303 15.97698 122.5420 44.68700 22.48830       47.45727 
1 1 1 8   18 0  o 1002.312 17.28435 29575.94       1016.030 29237.68       1431.517 29919.31       1442.310 994.5778 24.54185 1006.137 24.44282 -11.55878      34.63746 
1 1 1 8   18 1  o 981.1467 24.33005 28450.15       1399.998 28450.15       1399.998 0.000000       0.000000 981.1467 24.33005 ?        ?        0.000000       24.33005 
1 1 1 8   18 2  o 612.0864 11.60323 11005.93       416.5261 10111.87       559.5743 12116.83       623.7515 585.9627 16.29894 641.4210 16.59521 -55.45825      23.26062 
1 1 1 8   18 3  o 643.8615 10.34226 12174.01       390.5336 11572.99       625.8315 12557.30       499.7834 626.7620 17.04148 653.6407 13.03744 -26.87866      21.45663 
1 1 1 8   18 4  o 331.7107 7.344552 3228.953       142.8813 2760.085       298.4774 3368.336       162.7389 305.7591 16.70841 338.7638 8.191133 -33.00470      18.60822 
1 1 1 8   18 5  o 675.1859 10.77442 13390.04       426.6463 12738.35       669.3245 13836.05       553.7195 657.4598 17.37392 685.9827 13.76341 -28.52289      22.16494 
1 1 1 8   18 6  o 102.7097 10.88743 313.3467       64.58482 244.3976       226.0167 319.4773       67.39496 95.33639 33.08924 103.6744 11.26511 -8.338043      34.95427 
1 1 1 8   18 7  o 429.3823 8.190635 5412.055       206.2587 4818.012       344.0085 5745.464       257.7205 404.4217 14.52748 442.3019 9.935270 -37.88019      17.59992 
1 1 1 8   18 8  o 352.6577 9.208373 3654.531       190.2896 3542.703       294.5292 3734.656       249.3087 346.6763 14.51831 356.2540 11.94929 -9.577759      18.80338 
1 1 1 8   18 9  o 529.2360 11.43261 8232.356       354.8503 7924.960       462.2973 8673.210       553.6295 518.5788 15.21690 542.1163 17.43578 -23.53754      23.14218 
1 1 1 8   18 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   18 11 o 374.9697 17.33764 4156.905       380.2416 0.000000       0.000000 4156.905       380.2416 ?        ?        374.9697 17.33764 0.000000       17.33764 
1 1 1 8   18 12 o 390.7618 10.38576 4491.353       237.8020 4210.822       294.8161 5013.766       402.3165 377.9743 13.32042 411.9061 16.68858 -33.93179      21.35280 
1 1 1 8   18 13 o 383.2633 10.11645 4320.885       227.1935 4285.431       291.4002 4375.845       362.8123 381.2914 13.05037 384.7772 16.11330 -3.485748      20.73525 
1 1 1 8   18 14 o 549.1943 11.13916 8873.129       358.7806 8925.412       486.3282 8810.693       531.4543 549.8651 15.09503 545.9327 16.61814 3.932312       22.45044 
1 1 1 8   18 15 o 340.1490 10.14308 3405.796       202.1176 3331.243       256.8695 3526.987       327.5040 335.9792 13.06104 345.1391 16.22517 -9.159882      20.82899 
1 1 1 8   18 16 o 433.2595 10.24508 5522.631       260.3238 5513.216       342.6559 5535.483       400.3465 432.1530 13.53649 432.5014 15.80991 -0.3484192     20.81321 
1 1 1 8   18 17 o 235.0824 11.21187 1631.159       154.1328 1579.250       178.2463 1785.025       306.8805 231.0086 13.21164 243.8564 21.68365 -12.84775      25.39149 
1 1 1 8   18 18 o 495.8539 10.69047 7240.230       310.8860 7223.063       408.4750 7263.864       479.2836 494.3024 14.10479 494.9532 16.53438 -0.6507874     21.73317 
1 1 1 8   18 19 o 239.7898 11.73122 1699.252       164.4767 1814.371       196.8058 1432.618       299.5175 247.4731 13.61242 217.3775 23.88714 30.09560       27.49352 
1 1 1 8   18 20 o 291.2810 8.155685 2496.992       139.1860 2585.800       157.3421 2177.428       298.4672 296.2946 9.065289 269.7873 18.98481 26.50735       21.03812 
1 1 1 8   18 21 o 200.1701 9.081470 1181.755       106.3342 1224.635       112.7695 837.8993       319.3416 203.7267 9.464152 161.9073 34.67575 41.81934       35.94410 
1 1 1 8   18 22 o 226.6696 8.808939 1514.422       116.8799 1491.287       124.6796 1682.166       335.7255 224.8378 9.476558 234.9507 24.73513 -10.11285      26.48833 
1 1 1 8   18 23 o 54.10966 17.59451 84.33437       63.96280 85.15180       65.21590 63.67400       327.8645 54.44209 17.77039 88.24345 37.16889 -33.80135      41.19846 
1 1 1 8   18 24 o 519.3165 9.752121 7944.279       297.0172 7909.970       353.0072 8027.444       549.5983 517.7004 11.62665 518.8705 18.08842 -1.170105      21.50278 
1 1 1 8   18 25 o 115.6656 12.97623 400.2595       86.50845 435.7388       89.06122 -192.1638      363.9290 120.7795 12.76614 78.28287 35.72202 42.49664       37.93465 
1 1 1 8   18 26 o 453.8934 8.207919 6060.701       218.4930 6071.541       241.0110 6010.686       517.6835 454.1423 9.048871 448.1813 19.74364 5.961029       21.71850 
1 1 1 8   18 27 o 411.1728 9.019170 4977.814       217.4911 5070.974       251.2458 4699.301       434.4185 414.7398 10.32934 396.4222 18.73833 18.31754       21.39673 
1 1 1 8   18 28 o 225.4526 11.77212 1505.857       155.1148 1545.161       168.2842 1283.810       399.9846 228.2110 12.62267 200.0585 35.38497 28.15253       37.56897 
1 1 1 8   18 29 o 176.7719 9.580897 924.0494       98.95635 937.0507       102.1476 725.6726       399.0073 177.9766 9.824327 147.0928 43.33013 30.88387       44.42992 
1 1 1 8   18 30 o 108.9146 13.34294 357.1382       83.45103 386.4950       85.78001 -161.5722      360.5737 113.4061 13.14021 78.18637 35.63142 35.21970       37.97714 
1 1 1 8   18 31 o 104.8056 14.05770 332.3947       84.23007 345.6508       86.07056 32.34035       409.4928 106.9066 14.06888 92.93948 40.38065 13.96716       42.76132 
1 1 1 8   18 32 o 150.6380 10.70926 674.8286       93.99465 662.8452       97.06150 855.5166       376.8979 149.1955 11.17396 157.8182 40.51641 -8.622772      42.02900 
1 1 1 8   18 33 o 164.1619 10.82571 801.8948       103.6450 798.2480       106.6087 864.7620       442.6403 163.7100 11.17061 155.0102 45.63132 8.699799       46.97872 
1 1 1 8   18 34 o 188.0022 10.17026 1050.418       111.7186 1107.357       115.7431 274.0909       427.3783 193.0215 10.26129 106.2011 43.36817 86.82048       44.56560 
1 1 1 8   18 35 o 82.16633 18.28745 213.6684       85.85567 204.7209       88.31491 367.6464       366.3659 80.23813 19.05291 107.7645 41.34234 -27.52642      45.52145 
1 1 1 8   18 36 o 324.0089 8.091042 3108.419       153.7489 3109.928       163.3011 3096.641       456.2300 323.7720 8.607654 309.7834 25.33269 13.98862       26.75512 
1 1 1 8   18 37 o 52.65225 20.52723 60.55194       91.40269 89.33584       93.90520 -458.0052      398.5779 57.63046 21.17460 66.96920 32.49144 -9.338741      38.78218 
1 1 1 8   18 38 o 85.61222 19.47609 237.9322       95.57652 256.1375       98.37765 -68.17130      403.3962 88.91403 19.41154 80.16988 36.96058 8.744148       41.74796 
1 1 1 8   18 39 o 81.00465 21.07114 217.3156       101.0378 220.5830       104.3952 168.9544       401.6305 81.47713 21.52780 89.96375 39.51802 -8.486618      45.00134 
1 1 1 8   18 40 o 77.47521 21.32119 200.8679       99.91686 179.0353       103.3231 515.7140       392.3686 73.27141 22.16214 109.6058 42.58699 -36.33440      48.00846 
1 1 1 8   18 41 f 67.97336 22.25642 151.5362       102.2614 140.7761       105.9492 298.0814       390.9991 66.24433 22.66900 93.65404 40.06080 -27.40971      46.02990 
1 1 1 8   18 42 o 214.9624 10.01645 1393.992       125.9305 1377.863       131.4892 1572.754       437.7399 213.3944 10.53907 193.3872 39.91933 20.00720       41.28711 
1 1 1 8   18 43 o 89.81596 30.53692 307.9573       192.2032 126.3487       212.0798 1142.852       454.7228 71.26802 29.94887 148.4756 46.77346 -77.20760      55.54000 
1 1 1 8   18 44 f 164.5882 12.70988 837.0923       121.7350 867.4991       127.2565 509.3275       417.8066 167.3220 13.07177 101.8533 42.36194 65.46869       44.33289 
1 1 1 8   18 45 o 70.20460 24.70162 169.6292       126.2109 159.3048       132.3892 272.5638       418.0232 68.88583 25.16907 87.37456 39.22691 -18.48873      46.60722 
1 1 1 8   18 46 o 48.61143 21.84464 -17.62831      129.9730 61.20303       135.6587 -899.3701      453.7002 56.90430 23.93517 57.27060 28.88200 -0.3663025     37.51083 
1 1 1 8   19 0  o 574.7755 9.735868 9701.461       328.1886 8720.110       512.7601 10382.45       427.1404 544.0237 16.08879 594.3586 12.25382 -50.33490      20.22388 
1 1 1 8   19 1  o 435.7575 8.159486 5573.765       208.5250 5022.232       355.0433 5864.200       257.6442 412.9123 14.68470 446.8648 9.830911 -33.95248      17.67165 
1 1 1 8   19 2  o 246.9180 7.637573 1791.139       110.4679 0.000000       0.000000 1791.139       110.4679 ?        ?        246.9180 7.637573 0.000000       7.637573 
1 1 1 8   19 3  o 536.0787 9.069881 8437.983       285.1548 7583.228       442.9234 9043.052       372.6576 507.4294 14.89955 554.7534 11.45406 -47.32397      18.79340 
1 1 1 8   19 4  o 343.9888 7.431316 3472.942       149.9203 3500.569       316.4421 3464.947       170.2384 344.4677 15.70505 343.5477 8.449287 0.9199829      17.83365 
1 1 1 8   19 5  o 188.2521 7.397805 1041.760       81.51674 1145.369       253.7767 1029.840       86.07833 195.5410 22.54111 187.1405 7.860384 8.400513       23.87231 
1 1 1 8   19 6  o 116.6891 10.08734 402.9680       68.35594 577.2399       234.3000 386.7549       71.46495 136.6351 30.05706 114.2209 10.79646 22.41418       31.93729 
1 1 1 8   19 7  o 333.2949 7.024361 3260.424       137.3049 3023.417       284.7810 3332.204       156.7240 320.0575 15.21521 336.9015 7.931990 -16.84406      17.15864 
1 1 1 8   19 8  o 563.1064 11.72358 9323.149       387.1695 8975.180       505.3770 9817.538       602.3913 551.7069 15.63489 576.5625 17.83629 -24.85559      23.71883 
1 1 1 8   19 9  o 615.7313 12.15376 11151.26       438.8865 10702.42       573.6226 11785.02       681.6117 602.2758 16.25465 631.4798 18.42433 -29.20404      24.56969 
1 1 1 8   19 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   19 11 o 739.7781 13.55449 16117.39       588.0782 15299.90       763.5122 17309.71       922.0866 719.3369 18.11251 764.2393 20.59149 -44.90240      27.42394 
1 1 1 8   19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   19 13 o 419.6777 10.17926 5179.557       250.5432 4797.563       303.6298 5994.620       443.5189 403.3627 12.85147 450.0739 16.83231 -46.71127      21.17751 
1 1 1 8   19 14 o 116.4943 21.21184 415.3860       139.5843 316.8555       159.7854 732.8257       286.8021 101.0632 26.60073 152.8654 32.96155 -51.80217      42.35638 
1 1 1 8   19 15 o 185.5063 14.72014 1022.476       158.8358 873.3616       184.4953 1449.503       312.2143 170.6144 18.74670 218.8467 24.75992 -48.23235      31.05628 
1 1 1 8   19 16 o 268.0829 11.52652 2121.161       180.8014 1973.165       213.3183 2498.660       340.6914 258.1145 14.14584 289.1588 20.21711 -31.04428      24.67461 
1 1 1 8   19 17 o 393.8456 9.966603 4568.411       230.0248 4323.575       283.3755 5041.375       393.8572 382.6292 12.64534 412.2615 16.32205 -29.63223      20.64738 
1 1 1 8   19 18 o 223.6890 11.86275 1479.626       155.0690 1513.816       181.3247 1386.543       299.1898 225.9453 13.74876 213.6544 24.30905 12.29099       27.92773 
1 1 1 8   19 19 o 83.61743 26.11267 210.3607       142.0359 243.5740       169.2129 131.1466       261.3231 90.02413 28.55486 86.10196 34.35174 3.922173       44.67015 
1 1 1 8   19 20 o 78.22158 26.34664 174.8565       143.0585 233.2092       162.2727 -28.70399      303.0832 88.08466 27.96597 79.36018 34.60679 8.724487       44.49411 
1 1 1 8   19 21 o 72.42875 26.87440 126.7271       151.9077 101.5741       173.3651 209.8891       315.2312 72.20905 28.23604 97.95403 38.14036 -25.74498      47.45483 
1 1 1 8   19 22 o 379.6828 8.816366 4243.136       196.3184 4103.099       219.9284 4792.319       435.5306 373.0207 10.06224 400.5281 18.59181 -27.50739      21.14011 
1 1 1 8   19 23 o 222.2447 9.286333 1456.878       120.7725 1441.516       129.9607 1554.138       327.0093 220.9566 10.05528 225.5555 25.14769 -4.598846      27.08348 
1 1 1 8   19 24 o 208.5741 16.10109 1298.717       195.4309 1418.738       225.1379 931.8158       393.6353 217.6386 17.79371 168.7891 40.31940 48.84946       44.07119 
1 1 1 8   19 25 o 358.8640 9.352048 3794.686       196.6604 3694.385       214.8106 4314.104       488.8341 353.8920 10.36101 378.5789 22.11309 -24.68692      24.42006 
1 1 1 8   19 26 o 49.33936 23.65301 -267.9764      196.5180 -211.6061      227.8598 -431.6499      388.2682 57.57585 26.95857 71.57640 34.01598 -14.00055      43.40335 
1 1 1 8   19 27 o 366.4127 8.101574 3950.943       174.0967 4027.716       189.1725 3526.053       445.0342 369.8517 8.721275 341.5135 22.34222 28.33810       23.98406 
1 1 1 8   19 28 o 278.2434 8.255329 2281.335       134.5641 2285.408       143.1543 2250.426       394.3938 278.4034 8.778544 271.0108 25.09890 7.392578       26.58980 
1 1 1 8   19 29 o 319.8465 8.036084 3014.689       150.6235 3038.545       159.9448 2827.726       447.7605 321.0162 8.503057 303.1378 25.41965 17.87839       26.80412 
1 1 1 8   19 30 o 190.6623 9.663455 1075.955       107.7034 1070.396       111.4138 1155.282       420.8401 190.1001 10.02872 185.2069 39.92179 4.893219       41.16217 
1 1 1 8   19 31 o 136.8704 11.77436 559.2902       93.59653 549.2394       96.13191 742.3282       410.2414 135.5319 12.22544 146.0982 44.15407 -10.56624      45.81532 
1 1 1 8   19 32 o 30.59616 14.91260 -153.9110      86.61473 -149.8114      88.46230 -248.9907      426.0240 31.34772 15.23166 80.80191 37.50723 -49.45419      40.48204 
1 1 1 8   19 33 o 53.22558 20.88687 54.84004       95.14668 40.17669       97.74268 319.9396       415.5968 51.61940 20.86460 109.0577 43.38310 -57.43831      48.13964 
1 1 1 8   19 34 o 75.51467 19.71627 181.0988       88.24451 218.7108       91.00639 -410.5094      360.9324 83.06939 19.08224 66.28647 31.84989 16.78292       37.12880 
1 1 1 8   19 35 o 130.7778 12.57570 516.9471       95.26558 481.7739       97.82170 1163.716       419.4725 125.9387 13.45227 176.8816 41.20499 -50.94293      43.34530 
1 1 1 8   19 36 o 62.76694 21.08811 119.3233       91.65397 155.5781       94.14565 -538.5320      401.0355 69.78779 21.16483 65.24599 31.86375 4.541794       38.25243 
1 1 1 8   19 37 o 111.9406 15.44538 389.3095       98.70026 425.9766       101.4629 -256.6465      425.8640 117.3129 15.09683 75.28204 35.73310 42.03086       38.79135 
1 1 1 8   19 38 o 206.7532 10.30458 1282.388       124.5553 1294.657       129.8875 1142.097       439.2188 207.5572 10.70655 164.6646 44.45237 42.89252       45.72356 
1 1 1 8   19 39 o 49.93065 20.91266 30.01072       102.8801 89.60193       107.3106 -647.2859      361.7771 58.65113 22.40614 56.79757 28.20725 1.853561       36.02338 
1 1 1 8   19 40 o 98.83286 19.01239 318.9557       106.2012 344.8604       111.2878 54.85429       355.3399 102.7810 19.16714 79.25800 35.82228 23.52296       40.62777 
1 1 1 8   19 41 o 154.4790 12.95614 734.1204       116.3000 747.1454       121.4189 589.3458       404.8016 155.5793 13.43874 112.1118 43.33965 43.46750       45.37538 
1 1 1 8   19 42 o 71.30830 23.36504 172.6597       112.6939 188.9058       116.8377 -44.26341      426.9353 74.08090 23.75319 77.44344 36.46238 -3.362534      43.51688 
1 1 1 8   19 43 o 110.0567 18.91413 400.1803       117.6837 425.6267       122.6504 104.9353       417.7792 113.4391 19.11428 81.63454 37.62787 31.80456       42.20441 
1 1 1 8   19 44 o 87.67506 30.61790 299.1247       193.6725 205.8073       220.4258 615.0755       405.5933 77.87209 31.38368 108.1503 42.91096 -30.27821      53.16283 
1 1 1 8   19 45 o 92.41322 23.37932 304.8227       126.7860 375.5396       133.5473 -340.9881      403.5768 103.4286 22.64541 64.70774 31.67806 38.72088       38.93988 
1 1 1 8   20 0  o 461.4005 10.00473 6254.080       270.7285 0.000000       0.000000 6254.080       270.7285 ?        ?        461.4005 10.00473 0.000000       10.00473 
1 1 1 8   20 1  o 442.7223 8.361952 5754.883       217.1149 5109.915       361.4239 6119.042       271.5773 416.3484 14.82529 456.3776 10.14656 -40.02914      17.96502 
1 1 1 8   20 2  o 292.4898 7.217103 2511.077       123.8010 2433.020       282.6152 2529.612       137.7176 286.8044 16.87652 293.4258 8.010271 -6.621399      18.68105 
1 1 1 8   20 3  o 266.6975 7.119658 2089.205       111.2602 1761.310       252.6595 2168.084       123.9222 243.7172 17.79933 271.6455 7.786541 -27.92828      19.42798 
1 1 1 8   20 4  o 319.7657 7.238298 3001.393       135.7434 3004.197       299.8504 3000.670       152.2366 318.8825 16.08527 319.5821 8.129031 -0.6996155     18.02268 
1 1 1 8   20 5  o 338.7831 7.331177 3369.215       145.6619 3143.034       287.8915 3447.040       168.8723 326.3065 15.08444 342.6159 8.404279 -16.30936      17.26766 
1 1 1 8   20 6  o 262.1848 8.883952 2021.340       136.4069 1691.504       254.8822 2153.727       161.4780 238.6551 18.35116 270.5284 10.19595 -31.87325      20.99339 
1 1 1 8   20 7  o 259.9628 9.285514 1987.936       141.3415 2222.524       268.1417 1897.677       166.3244 273.9691 16.76863 253.8012 11.20167 20.16786       20.16592 
1 1 1 8   20 8  o 305.3210 9.016410 2741.008       161.2742 2887.568       263.8037 2653.544       203.7919 312.7375 14.42186 300.1376 11.59937 12.59982       18.50771 
1 1 1 8   20 9  o 64.94675 24.50659 91.82437       127.4126 0.000000       0.000000 91.82437       127.4126 ?        ?        64.94675 24.50659 0.000000       24.50659 
1 1 1 8   20 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   20 12 o 471.2509 10.55436 6533.559       291.6987 6483.312       385.2713 6601.051       446.5214 468.6403 14.03350 472.3751 16.14147 -3.734833      21.38893 
1 1 1 8   20 13 o 189.9077 13.48411 1068.926       149.2043 891.1064       172.8785 1588.082       295.3934 172.6639 17.30518 229.9093 22.18267 -57.24538      28.13432 
1 1 1 8   20 14 o 482.6353 10.83757 6857.984       306.7620 6553.673       382.4387 7407.037       513.7000 471.0091 13.85972 499.6672 17.55713 -28.65814      22.36839 
1 1 1 8   20 15 o 187.2740 14.89457 1043.096       162.2430 1078.850       186.4701 931.6957       329.1468 190.0993 16.90149 172.0221 33.83141 18.07719       37.81831 
1 1 1 8   20 16 o 414.0237 10.48186 5051.128       254.3107 5024.651       317.1078 5098.848       425.7208 412.3667 13.12885 414.1644 17.56665 -1.797699      21.93066 
1 1 1 8   20 17 o 192.8908 14.13731 1105.761       158.8188 1055.424       183.3898 1256.762       317.6293 187.9004 16.81936 202.2308 27.49197 -14.33037      32.22886 
1 1 1 8   20 18 o 140.8498 18.23362 599.6341       147.0880 605.5172       167.4112 579.7205       308.0040 140.9139 20.88879 134.3569 37.60945 6.557022       43.02107 
1 1 1 8   20 19 o 88.22017 26.48295 238.6714       147.9425 165.3999       169.8220 469.3344       301.3112 79.42588 28.57843 122.1220 38.01685 -42.69615      47.56057 
1 1 1 8   20 20 o 157.9496 16.44082 748.7009       150.0711 704.5416       170.5853 899.8901       315.6396 152.4469 19.52758 168.2427 33.16880 -15.79578      38.49020 
1 1 1 8   20 21 o 88.64388 26.29839 242.1167       146.5535 151.0318       167.7452 535.8336       301.2254 77.32690 28.31882 129.1629 37.53802 -51.83599      47.02190 
1 1 1 8   20 22 o 217.0360 14.03388 1400.017       177.6747 1315.237       209.0156 1620.855       337.3394 209.6346 17.15042 230.2975 25.39754 -20.66287      30.64591 
1 1 1 8   20 23 o 83.94249 29.56436 193.1722       180.8260 216.6684       212.5343 131.5759       344.1182 89.49066 31.99843 94.71001 38.82312 -5.219345      50.31038 
1 1 1 8   20 24 o 258.3258 10.92082 1971.416       165.0794 1971.416       165.0794 0.000000       0.000000 258.3258 10.92082 ?        ?        0.000000       10.92082 
1 1 1 8   20 25 o 342.6177 12.02792 3471.090       241.3107 3208.818       285.2761 4130.755       452.4302 328.6848 14.83736 370.7825 20.89017 -42.09778      25.62316 
1 1 1 8   20 26 o 59.98793 26.42670 -40.09315      180.8048 -95.75426      201.0712 195.0182       413.2480 59.56522 26.93184 104.8851 42.71507 -45.31985      50.49654 
1 1 1 8   20 27 o 269.9380 11.45716 2156.888       180.9684 2198.334       200.0363 1970.051       424.7122 272.2683 12.56126 251.5111 29.34365 20.75723       31.91920 
1 1 1 8   20 28 o 237.4555 12.37924 1674.396       171.8005 1673.632       187.9681 1678.272       423.4221 237.1020 13.57429 229.7404 32.31786 7.361526       35.05290 
1 1 1 8   20 29 o 385.1982 8.076993 4371.446       182.4670 4487.688       200.9478 3825.256       435.5859 390.1196 8.782838 355.0117 21.01493 35.10785       22.77642 
1 1 1 8   20 30 o 193.9809 9.866030 1114.572       111.8725 1119.613       116.3721 1053.138       406.2434 194.3441 10.24623 175.8860 40.25494 18.45807       41.53848 
1 1 1 8   20 31 o 94.74064 18.13460 278.8169       97.09263 320.5999       100.7689 -262.6969      362.7698 101.9357 17.48501 73.26367 34.20970 28.67204       38.41913 
1 1 1 8   20 32 o 183.9705 11.01878 1007.344       118.3416 1007.344       118.3416 0.000000       0.000000 183.9705 11.01878 ?        ?        0.000000       11.01878 
1 1 1 8   20 33 o 202.2548 10.12554 1215.946       119.7249 1195.948       124.5736 1457.933       433.3467 200.4414 10.63519 205.9694 37.24480 -5.528000      38.73348 
1 1 1 8   20 34 o 68.29388 21.34228 145.4721       94.86314 129.1156       97.58152 426.8363       404.7225 65.41926 21.75531 112.7549 43.40221 -47.33564      48.54941 
1 1 1 8   20 35 o 38.47022 17.70509 -60.65759      91.99953 -58.39095      94.31792 -105.0708      417.5024 39.26093 18.01671 81.54470 37.59686 -42.28378      41.69083 
1 1 1 8   20 36 o 345.1519 8.235593 3534.448       166.7077 3468.280       176.8395 4062.764       499.6882 341.4962 8.837061 354.0729 24.20899 -12.57666      25.77147 
1 1 1 8   20 37 o 132.1770 14.15226 536.9023       108.0008 511.6134       112.4175 839.8940       389.1207 128.5467 15.20559 142.2921 43.00215 -13.74545      45.61135 
1 1 1 8   20 38 o 277.1307 9.061366 2293.062       147.0770 2302.308       156.1366 2220.250       438.1469 277.3798 9.612495 251.2566 30.34797 26.12317       31.83394 
1 1 1 8   20 39 o 91.68903 19.65938 276.8488       102.5415 287.7179       106.3240 132.1892       387.8900 93.33954 20.02311 85.39796 38.10274 7.941574       43.04351 
1 1 1 8   20 40 o 191.5237 11.39504 1113.882       127.4151 1151.786       134.3649 775.6496       401.3786 194.5047 11.83493 128.0240 44.11177 66.48070       45.67181 
1 1 1 8   20 41 f 68.06921 22.88961 153.4042       107.9810 155.2511       112.0014 129.0559       406.6663 68.50811 23.31048 83.78707 38.04949 -15.27896      44.62222 
1 1 1 8   20 42 o 101.5900 21.60844 352.7195       124.7806 376.0345       130.6647 111.1973       420.5515 104.7360 21.97435 82.35484 37.88464 22.38115       43.79633 
1 1 1 8   20 43 o 70.05944 23.76904 167.6842       116.4420 172.4612       121.0862 108.9705       424.5123 70.90696 24.23513 81.64119 37.73726 -10.73423      44.84911 
1 1 1 8   20 44 o 128.9953 18.26248 547.2529       134.3018 554.7271       141.3813 478.1790       429.8011 129.1366 19.25545 97.85757 41.93334 31.27904       46.14301 
1 1 1 8   20 45 o 57.85299 26.32880 -17.45645      196.0215 84.67097       224.9589 -339.5843      399.5270 67.63055 29.64563 64.25472 31.46934 3.375832       43.23405 
1 1 1 8   21 0  o 324.1096 15.29148 3102.577       289.8449 3102.577       289.8449 0.000000       0.000000 324.1096 15.29148 ?        ?        0.000000       15.29148 
1 1 1 8   21 1  o 299.0012 7.311531 2624.617       128.2129 2755.249       286.9249 2592.026       143.3174 305.2627 16.08344 296.9794 8.236483 8.283356       18.06977 
1 1 1 8   21 2  o 65.43601 15.90401 131.2877       60.42939 -154.2458      213.3860 156.1835       63.00878 58.82221 27.03239 71.43040 15.48786 -12.60819      31.15483 
1 1 1 8   21 3  f 122.4971 9.469919 443.5103       67.50556 147.1800       229.0748 471.6912       70.64254 84.87809 32.65780 126.3375 9.606194 -41.45942      34.04131 
1 1 1 8   21 4  o 265.0741 7.226721 2064.385       112.2416 1782.362       257.1448 2130.764       124.7533 244.9921 18.02294 269.2547 7.908773 -24.26254      19.68185 
1 1 1 8   21 5  o 621.5891 10.06709 11356.76       366.9930 10608.03       561.0317 11916.76       485.2003 599.4678 15.97196 636.2280 13.00343 -36.76013      20.59593 
1 1 1 8   21 6  o 517.0031 8.991114 7853.405       272.6197 7617.697       447.9356 7992.081       343.5804 508.0714 15.04941 521.2609 11.23887 -13.18948      18.78289 
1 1 1 8   21 7  o 303.5594 6.948167 2705.455       123.6985 2591.148       263.3284 2737.821       140.1208 296.0058 15.21975 305.2191 7.834287 -9.213257      17.11773 
1 1 1 8   21 8  o 211.0035 7.679944 1309.350       94.87965 1763.040       236.3658 1222.205       103.5919 243.7462 16.63439 203.7663 8.688421 39.97990       18.76677 
1 1 1 8   21 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   21 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   21 11 o 283.8486 10.61289 2374.379       176.3621 2079.929       209.6212 3087.797       326.2882 265.2160 13.52137 322.5109 17.31416 -57.29486      21.96833 
1 1 1 8   21 12 o 307.3835 10.28130 2783.663       185.0834 2444.553       222.0287 3555.991       335.0732 287.5819 13.19947 346.2433 16.54881 -58.66135      21.16812 
1 1 1 8   21 13 o 204.0528 14.03414 1235.280       166.9268 1341.005       195.3574 949.2606       321.3206 212.3268 15.80153 174.0692 32.67475 38.25764       36.29501 
1 1 1 8   21 14 o 335.3473 10.81464 3315.707       212.4169 3266.232       256.1148 3424.742       380.2103 332.3983 13.16392 338.8626 19.21021 -6.464386      23.28778 
1 1 1 8   21 15 o 225.0902 12.83188 1500.259       168.6920 1515.090       200.0361 1463.741       313.8857 225.7664 15.19622 219.4368 24.82549 6.329605       29.10722 
1 1 1 8   21 16 o 233.1882 11.98682 1608.464       163.3808 1538.672       191.7517 1793.365       312.1110 227.6111 14.43908 243.8467 22.06284 -16.23561      26.36771 
1 1 1 8   21 17 o 224.5937 12.03600 1493.037       157.9578 1467.005       180.0372 1580.072       329.1960 222.2804 13.87980 227.6600 25.07022 -5.379608      28.65598 
1 1 1 8   21 18 o 86.19050 26.55642 225.7850       147.4639 243.9601       172.6125 176.6852       283.7101 90.14061 28.86815 92.22495 36.10399 -2.084335      46.22628 
1 1 1 8   21 19 o 55.07922 24.04884 -24.01394      146.7591 -103.7154      166.4759 253.9382       310.8876 52.75157 24.10541 101.2916 38.26727 -48.54004      45.22671 
1 1 1 8   21 20 o 252.4060 11.95586 1885.298       176.4798 1701.381       209.1087 2340.585       329.0056 239.1176 14.98647 279.0652 20.23992 -39.94769      25.18430 
1 1 1 8   21 21 o 85.58842 27.85246 217.2382       160.2707 355.9697       186.4300 -175.6801      313.7468 106.2809 29.07428 72.45786 33.10357 33.82302       44.05860 
1 1 1 8   21 22 o 72.84322 28.87692 94.67765       183.5266 130.3759       209.2025 -24.56299      382.3452 79.79809 31.07091 88.99300 38.83731 -9.194908      49.73669 
1 1 1 8   21 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   21 24 o 56.86039 25.87548 -106.3226      189.2933 -47.33524      212.8653 -329.2868      413.8498 64.96166 28.64372 78.44588 36.59951 -13.48421      46.47566 
1 1 1 8   21 25 o 261.7794 13.74165 2035.172       210.2333 2049.017       240.3496 1990.079       433.7672 262.1682 15.70391 253.0963 29.79275 9.071945       33.67819 
1 1 1 8   21 26 o 243.3895 14.64565 1764.870       208.0880 1846.125       245.0345 1554.709       394.0760 248.3024 16.92781 222.3299 31.06984 25.97252       35.38199 
1 1 1 8   21 27 o 277.2354 13.60065 2286.016       220.4607 2391.014       257.3689 1996.648       427.2571 282.9334 15.57037 252.5791 29.39147 30.35432       33.26102 
1 1 1 8   21 28 o 153.7762 13.60959 707.8380       121.4737 757.4165       127.6550 232.7705       395.1560 159.0599 13.82151 104.3138 42.02713 54.74614       44.24154 
1 1 1 8   21 29 o 349.7378 8.183184 3605.315       167.8477 3642.281       182.4530 3401.765       428.1448 351.2603 8.863769 333.7844 21.99384 17.47586       23.71276 
1 1 1 8   21 30 o 114.0621 16.60478 397.7088       107.8186 367.8975       111.8766 786.4269       403.9860 109.2103 18.10073 149.8841 43.44609 -40.67381      47.06590 
1 1 1 8   21 31 o 184.1357 10.84681 1008.411       116.6172 956.5626       120.8716 1706.285       443.4507 179.1496 11.56605 227.4718 34.30637 -48.32220      36.20360 
1 1 1 8   21 32 o 165.7229 11.79759 821.0757       113.9140 848.8993       118.3902 473.8612       418.2237 168.4480 12.06380 119.6944 44.55735 48.75362       46.16159 
1 1 1 8   21 33 o 44.16016 19.51095 -22.24714      99.23915 -44.50192      103.0992 258.3755       366.1044 42.88869 19.34826 99.40197 40.30711 -56.51328      44.71038 
1 1 1 8   21 34 o 93.06712 19.27221 276.6464       101.7259 252.5184       105.0001 645.5225       410.5531 88.40875 20.62952 128.3545 44.59387 -39.94571      49.13441 
1 1 1 8   21 35 o 58.69233 21.65987 92.37134       98.43887 86.50937       101.1977 195.5085       424.4789 58.11668 21.85978 95.38714 41.27977 -37.27046      46.71048 
1 1 1 8   21 36 o 184.6013 10.87683 1024.399       117.2354 1084.406       122.6600 390.6198       398.6293 189.8685 11.06330 104.8728 42.22582 84.99574       43.65108 
1 1 1 8   21 37 o 184.0961 10.82439 1020.581       116.3531 991.1064       120.9921 1382.989       424.2592 181.1288 11.44845 187.7347 39.77177 -6.605850      41.38672 
1 1 1 8   21 38 o 294.9884 8.761994 2598.199       151.4178 2609.425       162.6919 2525.519       413.9622 295.2223 9.408515 272.3223 26.24420 22.89996       27.87971 
1 1 1 8   21 39 o 95.49768 19.52449 300.2527       105.6572 275.9722       109.9413 593.7151       382.2156 90.71688 21.06886 114.6762 42.61394 -23.95930      47.53782 
1 1 1 8   21 40 o 95.22460 21.23081 306.2183       115.5422 325.9940       120.8988 97.76841       392.5159 98.11636 21.59658 82.16801 37.34073 15.94834       43.13632 
1 1 1 8   21 41 o 64.92085 23.46774 133.2737       114.6745 178.6961       118.9270 -468.0248      432.7036 72.31420 24.01623 65.40748 32.17770 6.906723       40.15201 
1 1 1 8   21 42 f 89.57748 22.56969 280.2127       118.5000 287.3524       123.0519 189.0293       439.7512 90.40372 23.11994 85.79008 39.19333 4.613640       45.50438 
1 1 1 8   21 43 o 44.01397 20.11026 -43.78822      115.8212 -79.73492      120.2099 421.7199       432.5880 42.14109 19.68237 95.32394 41.45930 -53.18286      45.89411 
1 1 1 8   21 44 o 48.96921 21.96986 -15.47798      130.8801 -15.47798      130.8801 0.000000       0.000000 48.96921 21.96986 ?        ?        0.000000       21.96986 
1 1 1 8   22 0  o 259.7554 7.307325 1982.800       111.2095 1706.107       244.0466 2055.313       124.9350 239.6605 17.48330 264.4053 8.066248 -24.74481      19.25435 
1 1 1 8   22 1  o 244.4194 9.184282 1758.055       131.4190 1402.909       237.6944 1914.417       157.7179 216.9503 18.86884 254.9301 10.57189 -37.97986      21.62864 
1 1 1 8   22 2  o 261.5572 7.933403 2011.199       121.5554 0.000000       0.000000 2011.199       121.5554 ?        ?        261.5572 7.933403 0.000000       7.933403 
1 1 1 8   22 3  o 371.6538 10.24894 4064.628       223.1790 3838.285       303.1637 4332.420       329.7560 360.5345 14.36648 383.0114 14.70748 -22.47687      20.55980 
1 1 1 8   22 4  o 198.9017 7.176836 1163.219       83.58141 1070.017       206.5483 1181.470       91.39893 189.2088 18.86472 200.4105 7.791090 -11.20168      20.41026 
1 1 1 8   22 5  f 147.1994 8.332994 638.6289       71.64406 439.5314       189.8286 671.6993       77.36568 118.8575 27.74040 150.9335 8.777891 -32.07603      29.09607 
1 1 1 8   22 6  o 301.3731 7.195833 2667.322       127.1851 2412.319       247.0236 2759.305       148.3609 285.5447 14.80126 306.3421 8.265310 -20.79733      16.95266 
1 1 1 8   22 7  o 194.4337 7.402987 1111.990       84.26260 1330.180       209.9382 1070.090       91.99812 211.3919 17.07903 190.6581 8.247105 20.73375       18.96597 
1 1 1 8   22 8  o 280.5129 11.04807 2319.801       181.4009 2374.183       223.4211 2214.601       310.7439 283.4205 13.47997 272.5034 19.57416 10.91708       23.76673 
1 1 1 8   22 9  o 235.4210 10.17115 1633.757       140.1005 1916.653       219.1887 1438.345       182.1713 254.3306 14.75838 220.2995 14.17512 34.03105       20.46323 
1 1 1 8   22 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 12 o 142.9123 19.67190 618.5423       160.5099 415.0899       187.8721 1168.412       308.8592 115.0438 28.09236 195.0005 27.79254 -79.95677      39.51716 
1 1 1 8   22 13 o 203.5826 14.14704 1230.788       167.8598 1162.375       196.2412 1417.328       324.0476 197.2301 17.13537 215.4830 26.17797 -18.25290      31.28749 
1 1 1 8   22 14 o 300.9494 11.24925 2673.642       198.1994 2688.206       236.5928 2639.368       362.9401 301.3468 13.42070 296.5789 21.00208 4.767883       24.92394 
1 1 1 8   22 15 o 340.7648 10.86177 3426.402       216.7958 3332.849       259.9761 3639.983       392.8134 335.5690 13.23591 348.9438 19.26947 -13.37479      23.37738 
1 1 1 8   22 16 o 175.0057 15.81939 915.6351       160.6135 874.5717       182.7970 1054.686       336.3788 170.3774 18.59543 182.8439 32.56272 -12.46649      37.49827 
1 1 1 8   22 17 o 338.2797 10.91677 3378.133       216.2975 3492.715       261.8320 3131.907       383.8232 343.4944 13.02086 323.0278 20.36369 20.46658       24.17070 
1 1 1 8   22 18 o 52.53794 23.49522 -57.72823      148.3854 -246.4994      165.6923 706.9218       333.4769 44.42585 21.40556 147.3963 38.25039 -102.9705      43.83253 
1 1 1 8   22 19 o 264.6538 12.17111 2072.991       188.4059 2052.888       218.6698 2130.914       371.1785 262.9199 14.23434 264.8222 24.16486 -1.902283      28.04562 
1 1 1 8   22 20 o 68.97211 27.33924 83.83208       164.4842 108.9565       191.7205 13.76781       320.1614 75.40477 29.63143 84.04694 36.10656 -8.642166      46.70873 
1 1 1 8   22 21 o 45.74856 22.14104 -288.8018      182.1660 -204.1428      207.6320 -571.8155      379.6309 54.49610 25.58590 66.02649 31.95688 -11.53039      40.93752 
1 1 1 8   22 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 23 o 260.6839 14.30844 2019.030       217.9156 2036.153       252.5507 1969.126       431.1365 261.2140 16.57090 252.1084 29.73039 9.105545       34.03661 
1 1 1 8   22 24 o 269.4641 13.55902 2155.531       213.5905 2080.284       244.1812 2400.668       440.7326 264.1193 15.83656 279.4448 27.23764 -15.32547      31.50691 
1 1 1 8   22 25 o 230.4172 15.63282 1585.977       210.0021 1539.669       238.6930 1744.613       441.7897 226.2960 18.13681 234.7315 33.00185 -8.435501      37.65722 
1 1 1 8   22 26 o 232.7148 15.26266 1618.491       207.1577 1694.770       237.9008 1379.248       421.3220 237.5674 17.19120 206.0425 36.18601 31.52495       40.06201 
1 1 1 8   22 27 o 297.0993 9.797372 2608.828       170.4776 2587.026       186.8431 2717.181       416.5343 295.6058 10.79552 297.4665 24.08177 -1.860687      26.39082 
1 1 1 8   22 28 o 133.6432 25.08591 564.4013       189.4005 532.7083       214.3088 677.4628       404.7764 128.3745 29.13463 140.4133 44.11580 -12.03883      52.86805 
1 1 1 8   22 29 o 188.0123 18.19289 1073.687       198.1000 1046.372       225.4481 1166.231       414.9695 184.4494 21.22763 185.3438 39.39111 -0.8944397     44.74675 
1 1 1 8   22 30 o 190.0432 11.76467 1076.311       130.4813 1138.616       137.1723 483.9910       422.9428 195.4166 12.02718 122.3125 44.93814 73.10406       46.51978 
1 1 1 8   22 31 o 171.9035 12.71876 885.5028       127.3190 918.7685       133.7236 562.9665       416.3888 174.9993 13.12493 127.0997 44.85440 47.89953       46.73522 
1 1 1 8   22 32 o 248.4724 9.191554 1831.505       133.7114 1815.350       140.2773 1992.056       442.2249 247.2130 9.694118 244.9427 31.51357 2.270233       32.97091 
1 1 1 8   22 33 o 169.2513 11.85030 860.9445       116.8851 872.8414       121.9441 726.4210       410.0562 170.2653 12.29473 136.0690 44.56866 34.19633       46.23338 
1 1 1 8   22 34 o 40.97590 18.77991 -59.69550      102.0400 -79.60609      105.3398 243.2493       410.8964 40.12786 18.63501 97.70645 41.40462 -57.57859      45.40491 
1 1 1 8   22 35 o 135.0985 14.37064 560.6954       112.1164 573.5583       116.8919 412.8481       396.2971 136.4504 14.84600 106.6988 42.39011 29.75158       44.91464 
1 1 1 8   22 36 o 269.0880 9.124352 2160.277       143.7865 2169.520       152.4196 2085.548       433.3901 269.3840 9.663239 243.8414 31.00567 25.54262       32.47660 
1 1 1 8   22 37 o 39.74793 18.46549 -74.13747      103.5814 -58.64804      107.4650 -276.8966      388.8120 41.89063 19.22642 69.52961 33.31565 -27.63898      38.46541 
1 1 1 8   22 38 o 68.82947 23.71947 152.6559       116.0543 201.8881       121.6377 -346.9778      387.4980 77.07224 24.17916 66.49110 32.20673 10.58113       40.27289 
1 1 1 8   22 39 o 139.8602 14.72158 610.6902       118.9446 628.1844       124.7805 436.6802       393.5388 141.5470 15.27276 101.5936 41.56649 39.95341       44.28353 
1 1 1 8   22 40 o 162.3322 13.78811 818.1030       130.0275 847.7512       138.7324 603.8442       372.9480 164.7871 14.50285 112.5266 42.03940 52.26049       44.47071 
1 1 1 8   22 41 o 37.43416 17.96894 -135.5221      114.2403 -171.3688      119.9294 215.6441       375.3683 36.66922 17.79825 85.09554 37.75381 -48.42632      41.73881 
1 1 1 8   22 42 o 128.0652 16.66822 528.3011       122.2227 508.5079       128.7963 707.4896       387.5265 124.6118 18.15705 116.7880 42.99728 7.823792       46.67382 
1 1 1 8   22 43 o 51.90046 22.58804 20.62207       128.5850 -33.16422      138.5642 354.2037       345.0774 48.84381 22.19255 90.75144 38.17327 -41.90763      44.15549 
1 1 1 8   22 44 o 40.83903 19.43303 -119.1681      127.5309 -153.8693      137.9413 85.04686       334.6306 40.86374 19.64881 74.57111 34.11388 -33.70738      39.36792 
1 1 1 8   23 0  o 304.0558 7.465155 2715.538       133.1198 2933.286       306.4960 2664.911       147.7869 314.5311 16.67498 301.0269 8.379209 13.50421       18.66189 
1 1 1 8   23 1  f 113.4671 32.23049 399.8043       224.4977 399.8043       224.4977 0.000000       0.000000 113.4671 32.23049 ?        ?        0.000000       32.23049 
1 1 1 8   23 2  o 214.9598 7.864776 1359.355       98.98317 0.000000       0.000000 1359.355       98.98317 ?        ?        214.9598 7.864776 0.000000       7.864776 
1 1 1 8   23 3  o 322.6081 7.178182 3056.797       135.8127 2897.933       260.0896 3116.353       159.2480 313.0683 14.20254 325.5376 8.347967 -12.46930      16.47424 
1 1 1 8   23 4  o 89.14042 11.63003 237.9214       59.35189 -8.966818      193.5742 263.5397       62.35522 65.19556 28.04259 93.90195 11.56681 -28.70638      30.33443 
1 1 1 8   23 5  o 576.2432 11.98657 9782.832       405.0899 0.000000       0.000000 9782.832       405.0899 ?        ?        576.2432 11.98657 0.000000       11.98657 
1 1 1 8   23 6  o 255.2736 7.336282 1915.911       109.7190 1585.824       238.0888 2004.911       123.6288 230.6728 17.73522 261.0677 8.084248 -30.39491      19.49085 
1 1 1 8   23 7  o 193.9414 7.484272 1106.749       84.96787 1311.067       224.3718 1072.543       91.80528 209.4277 18.45634 190.8480 8.221467 18.57968       20.20467 
1 1 1 8   23 8  o 229.4198 7.930995 1548.749       106.5505 1596.585       230.9771 1535.818       120.0917 231.5033 17.13366 228.3472 8.984944 3.156052       19.34662 
1 1 1 8   23 9  o 403.9999 8.753282 4799.785       207.3971 5003.272       331.8292 4669.337       265.6841 411.3858 13.77297 397.9178 11.39644 13.46796       17.87662 
1 1 1 8   23 10 o 183.3678 16.41067 1003.951       174.6181 986.3621       205.0578 1050.355       333.0721 181.0466 19.62588 183.2445 32.16524 -2.197845      37.67994 
1 1 1 8   23 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   23 12 o 353.8185 10.72704 3692.137       222.3357 3716.170       281.6512 3652.396       362.1823 354.3600 13.57752 350.1876 17.69234 4.172485       22.30175 
1 1 1 8   23 13 o 135.0262 20.40244 555.9818       156.5319 671.4015       183.2886 244.9517       300.8824 148.3052 21.71654 99.95331 37.67188 48.35187       43.48308 
1 1 1 8   23 14 o 272.1584 11.87593 2190.231       189.1007 2184.433       221.9182 2205.601       361.3288 271.3608 13.99150 270.0601 23.03311 1.300720       26.94970 
1 1 1 8   23 15 f 171.4783 16.03150 880.0493       159.3567 798.1013       179.7782 1180.532       344.2530 162.4868 19.23829 194.0813 31.30951 -31.59456      36.74776 
1 1 1 8   23 16 o 246.9105 12.83923 1806.807       185.2826 1867.271       216.8217 1643.135       356.7333 250.5841 14.81980 231.3332 26.78846 19.25096       30.61450 
1 1 1 8   23 17 o 204.3511 14.09510 1242.147       167.8908 1136.294       196.1157 1532.557       324.8392 194.6807 17.35855 223.8888 25.17496 -29.20802      30.57936 
1 1 1 8   23 18 o 132.5137 22.07741 540.2056       165.5435 592.5645       189.0842 368.3265       342.5874 138.3478 24.18409 113.6019 40.62493 24.74593       47.27848 
1 1 1 8   23 19 o 315.8209 11.89368 2948.909       219.9028 3140.411       273.8825 2601.480       368.9020 325.3204 14.39059 293.8352 21.55707 31.48520       25.91903 
1 1 1 8   23 20 o 70.94180 29.02011 64.11450       191.7783 98.64426       220.9097 -41.52085      386.3871 78.15051 31.44541 88.49471 38.82022 -10.34420      49.95821 
1 1 1 8   23 21 o 229.2818 16.20121 1568.769       216.4523 1678.062       253.2945 1272.896       416.7570 236.5912 18.39933 199.1442 37.04636 37.44698       41.36385 
1 1 1 8   23 22 o 275.7197 13.88694 2256.604       223.8331 2332.691       262.8841 2056.041       426.8091 279.7662 16.08994 258.0701 28.68379 21.69608       32.88838 
1 1 1 8   23 23 o 246.6901 14.66368 1811.620       211.1937 1686.167       242.5509 2204.892       429.4473 237.1884 17.56104 267.3726 27.79191 -30.18416      32.87522 
1 1 1 8   23 24 o 178.3492 20.18654 966.3314       207.4386 941.9600       236.3673 1048.015       432.7290 174.9500 23.64131 176.8187 42.29790 -1.868759      48.45642 
1 1 1 8   23 25 o 117.3524 27.92785 440.0710       189.4182 469.6937       213.3069 329.5951       411.9324 120.7558 30.20004 112.9809 43.70782 7.774841       53.12641 
1 1 1 8   23 26 o 250.2271 14.95743 1871.750       218.5019 1934.576       251.6526 1679.300       440.4434 253.7050 17.01136 228.2369 33.93540 25.46814       37.96047 
1 1 1 8   23 27 o 178.8762 19.22721 974.9543       198.5433 1167.468       226.5531 337.6097       412.2172 195.6118 20.03062 112.3311 43.64949 83.28071       48.02607 
1 1 1 8   23 28 o 189.5204 18.30061 1091.251       200.8827 1012.324       227.7781 1367.511       426.1465 181.1302 21.88545 202.5006 37.25484 -21.37039      43.20759 
1 1 1 8   23 29 o 213.8610 16.23275 1380.238       202.0777 1432.197       230.4362 1207.252       420.4629 217.0647 18.27080 187.6402 39.46114 29.42447       43.48567 
1 1 1 8   23 30 o 245.0939 11.24224 1787.736       161.1676 1856.298       175.6452 1422.520       405.3886 249.4922 12.03961 206.1087 34.77313 43.38353       36.79840 
1 1 1 8   23 31 f 167.1953 15.41236 849.3788       149.4278 814.7393       160.9561 1065.537       402.0748 163.0790 17.08219 171.8725 40.54875 -8.793503      44.00003 
1 1 1 8   23 32 o 69.52029 23.51324 146.7098       113.9437 203.5111       119.5863 -412.9494      375.3738 79.38996 23.80499 66.94519 32.24656 12.44477       40.08139 
1 1 1 8   23 33 o 229.2101 9.878894 1567.633       132.4865 1579.136       139.2990 1458.585       428.8972 229.8539 10.36009 199.4086 38.06208 30.44530       39.44685 
1 1 1 8   23 34 o 46.90268 21.13465 -42.19967      122.6080 -13.14862      128.0270 -363.7470      425.9347 50.56117 22.25714 71.93039 34.57143 -21.36922      41.11647 
1 1 1 8   23 35 o 60.35681 23.21728 91.46333       115.7582 113.0582       120.5457 -164.3237      414.8733 63.95838 23.89935 76.91148 36.12790 -12.95310      43.31748 
1 1 1 8   23 36 o 49.33020 21.41577 3.857048       114.9845 -21.21138      120.7666 247.0004       376.1098 48.00767 21.35020 92.53579 39.42804 -44.52812      44.83750 
1 1 1 8   23 37 o 68.57402 23.44324 151.5417       113.3038 181.4478       119.0608 -135.4620      368.8358 73.69741 24.00769 72.10529 33.93093 1.592125       41.56533 
1 1 1 8   23 38 o 127.9649 16.80192 520.7561       123.0524 553.3682       131.8438 300.3951       342.7189 131.5269 17.52801 92.18145 38.35538 39.34548       42.17068 
1 1 1 8   23 39 o 42.61263 19.66472 -63.33054      114.5886 -75.14709      121.6441 29.75967       341.4269 43.16801 20.03944 75.40767 34.48222 -32.23966      39.88235 
1 1 1 8   23 40 o 130.4015 17.79671 551.3052       132.5566 538.1656       140.3122 660.4025       404.3073 127.7672 19.32853 113.8345 43.49030 13.93266       47.59200 
1 1 1 8   23 41 o 95.07256 23.02968 317.4451       127.0362 399.2776       132.7410 -573.6843      438.0389 107.9010 21.72870 62.69576 31.11966 45.20526       37.95484 
1 1 1 8   23 42 o 44.39011 20.45581 -56.60635      123.3638 -26.59005      128.8282 -388.0899      428.1177 47.75644 21.57836 65.41517 32.14680 -17.65873      38.71747 
1 1 1 8   23 43 o 54.07308 23.15624 39.90695       130.9103 21.79993       137.4252 217.4094       430.2741 53.24144 23.25846 84.52339 38.67289 -31.28196      45.12813 
1 1 1 8   24 0  o 453.1458 8.412689 6036.424       223.5750 5451.456       365.7704 6385.343       282.4908 429.3263 14.54783 465.7618 10.34165 -36.43546      17.84907 
1 1 1 8   24 1  o 287.6089 7.349703 2431.848       123.8701 1972.654       253.0424 2576.565       142.0545 257.5435 16.84545 295.9580 8.192044 -38.41452      18.73176 
1 1 1 8   24 2  o 271.4937 7.291039 2167.076       115.9862 1946.041       249.5801 2227.962       130.9906 255.8085 16.72759 275.1980 8.124939 -19.38951      18.59642 
1 1 1 8   24 3  o 165.7433 7.859565 809.1495       76.18089 615.3028       207.7119 839.2773       81.88723 141.0408 26.07121 168.7652 8.298825 -27.72435      27.36016 
1 1 1 8   24 4  o 136.2923 9.192328 548.8533       73.04652 0.000000       0.000000 548.8533       73.04652 ?        ?        136.2923 9.192328 0.000000       9.192328 
1 1 1 8   24 5  o 133.6141 8.955006 527.4113       69.76759 702.1058       214.1811 506.6746       73.79230 151.1117 25.04394 130.8652 9.683311 20.24648       26.85080 
1 1 1 8   24 6  o 309.5865 7.351696 2816.306       133.4812 2744.368       262.1705 2841.479       155.0872 304.3159 14.73333 310.7418 8.517963 -6.425903      17.01842 
1 1 1 8   24 7  o 130.3604 9.722183 502.9170       73.79406 261.0169       186.5879 547.7690       80.34460 93.51884 30.02046 136.0275 10.14420 -42.50867      31.68806 
1 1 1 8   24 8  o 167.4897 10.08587 828.9438       98.61314 0.000000       0.000000 828.9438       98.61314 ?        ?        167.4897 10.08587 0.000000       10.08587 
1 1 1 8   24 9  o 379.0400 8.647612 4226.112       192.2347 4177.659       303.0418 4258.739       248.6718 375.7189 13.77606 379.9445 11.17192 -4.225616      17.73672 
1 1 1 8   24 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   24 11 o 217.9067 13.94342 1410.207       177.2580 1326.374       220.0444 1565.161       299.1593 210.4072 18.00484 227.3350 22.74308 -16.92781      29.00728 
1 1 1 8   24 12 o 277.2059 11.20737 2270.137       181.8279 2038.345       217.5022 2808.077       331.3451 262.0488 14.20554 306.4835 18.52057 -44.43475      23.34114 
1 1 1 8   24 13 o 275.6782 11.95787 2247.839       192.8735 2287.242       232.0617 2159.817       346.8461 277.5795 14.30318 267.3810 22.32198 10.19849       26.51135 
1 1 1 8   24 14 o 160.1777 17.88488 773.0988       165.1477 847.0652       190.5370 549.7092       331.1263 167.2683 19.80685 130.8580 39.69423 36.41032       44.36151 
1 1 1 8   24 15 o 333.7114 10.70195 3287.283       209.1811 3215.385       254.5031 3436.985       367.2397 329.4716 13.19788 339.0247 18.54061 -9.553070      22.75826 
1 1 1 8   24 16 o 224.0305 13.91584 1491.311       181.9356 1428.302       210.7650 1675.536       360.3861 218.6285 16.56087 233.5901 26.79078 -14.96158      31.49617 
1 1 1 8   24 17 o 380.0994 11.45031 4267.478       254.9586 4433.531       319.8166 3977.926       422.3184 386.7050 14.12541 364.3210 19.84026 22.38394       24.35494 
1 1 1 8   24 18 o 194.2077 17.43300 1130.807       196.4484 1420.201       230.1688 354.4605       376.9898 217.6145 18.20124 114.4793 42.36233 103.1352       46.10696 
1 1 1 8   24 19 o 211.2110 16.70613 1333.640       205.2550 1185.580       244.0803 1691.191       379.3006 197.8348 21.37583 234.2279 28.17696 -36.39314      35.36760 
1 1 1 8   24 20 o 134.8800 26.90745 570.3115       205.3826 704.1445       238.3041 183.8239       404.9652 149.8602 28.14737 103.8142 42.28263 46.04597       50.79464 
1 1 1 8   24 21 o 429.3264 11.80703 5448.136       297.0067 5238.710       358.7587 5904.345       529.5034 420.1127 14.58294 443.5095 20.41180 -23.39673      25.08593 
1 1 1 8   24 22 o 214.3679 16.41734 1375.476       204.8311 1300.238       233.5182 1626.504       426.5432 207.5472 19.40976 226.7610 33.04440 -19.21381      38.32325 
1 1 1 8   24 23 o 288.3703 13.46276 2470.145       227.0569 2427.922       261.4823 2599.576       457.8123 285.2360 15.69148 290.2740 27.20954 -5.037994      31.40989 
1 1 1 8   24 24 o 121.0046 29.26436 470.5356       205.3833 625.9421       235.3620 -25.59852      420.5342 139.7525 29.63637 91.60086 40.33010 48.15169       50.04829 
1 1 1 8   24 25 o 218.4342 16.70033 1435.080       212.3199 1618.017       244.5755 875.5034       427.7523 231.4987 18.15941 159.0232 44.25100 72.47556       47.83215 
1 1 1 8   24 26 o 64.35294 27.45216 15.80442       182.7100 113.2723       203.6106 -387.1728      414.0090 76.33482 30.36585 74.87064 35.44807 1.464180       46.67602 
1 1 1 8   24 27 o 249.0493 13.73136 1852.348       199.7861 1881.801       226.0368 1747.177       427.1295 250.4236 15.46599 232.7879 32.14278 17.63567       35.67009 
1 1 1 8   24 28 o 64.24080 27.74508 2.822224       190.9943 25.35699       221.7358 -61.96694      375.9763 70.51342 30.16542 83.57019 37.38427 -13.05677      48.03682 
1 1 1 8   24 29 o 61.75871 27.50660 -47.40377      201.2205 33.71462       228.6792 -325.6413      423.5210 71.71297 30.65522 76.81644 36.21303 -5.103462      47.44603 
1 1 1 8   24 30 o 53.73162 24.55127 -89.29481      172.6457 -61.51204      189.5623 -224.4449      418.0925 58.52467 26.33338 79.07833 36.85865 -20.55367      45.29909 
1 1 1 8   24 31 o 40.72116 19.27942 -130.2472      122.4553 -126.1352      128.2877 -172.4102      410.7953 42.27678 19.93035 79.22009 36.79276 -36.94330      41.84407 
1 1 1 8   24 32 o 112.5443 22.38881 412.2787       142.5748 478.5243       151.6294 -93.22595      418.8589 121.6197 22.07092 81.89008 37.72068 39.72961       43.70327 
1 1 1 8   24 33 o 61.50661 24.41705 82.86794       131.3893 73.77109       139.0342 158.8297       401.7663 61.44602 24.86721 91.48155 39.86926 -30.03553      46.98868 
1 1 1 8   24 34 o 284.8140 9.329411 2420.463       155.6251 2434.936       168.5223 2336.617       405.6194 285.2492 10.08943 264.3881 26.51689 20.86118       28.37150 
1 1 1 8   24 35 o 110.8436 19.69041 398.1615       123.3123 440.4926       130.1230 25.24465       386.2164 116.6978 19.71409 81.58254 37.06099 35.11525       41.97812 
1 1 1 8   24 36 o 125.4399 17.27932 500.3738       123.7462 557.1069       130.6986 9.270332       384.5381 132.4833 17.22900 79.42358 36.42181 53.05976       40.29128 
1 1 1 8   24 37 o 198.3502 11.10367 1192.038       128.6509 1215.053       137.4196 1028.767       366.0116 199.8632 11.77590 156.6629 39.77204 43.20026       41.47876 
1 1 1 8   24 38 o 99.54466 22.18509 338.1615       126.2061 344.0339       133.1495 286.2212       395.9924 99.80763 23.19046 91.57871 39.75003 8.228920       46.02024 
1 1 1 8   24 39 o 91.68102 23.02930 293.1288       123.6456 322.0477       130.0747 22.08864       398.2157 96.00117 23.33386 77.95081 36.21071 18.05036       43.07766 
1 1 1 8   24 40 o 87.38548 24.82513 274.8637       133.1783 273.5827       141.2154 285.1663       400.4789 86.65134 25.84155 89.06862 39.28031 -2.417274      47.01838 
1 1 1 8   24 41 o 59.27106 24.09572 85.17905       131.2243 75.06718       138.1568 178.4195       419.5260 58.89898 24.41642 83.43014 38.17801 -24.53116      45.31800 
1 1 1 8   24 42 o 51.07426 23.28134 -35.14223      154.0548 -84.93355      164.2478 329.0762       444.2256 49.33584 23.03091 89.69592 40.33940 -40.36008      46.45094 
1 1 1 8   24 43 o 58.79936 24.51669 76.33524       140.4505 49.15055       148.5824 304.4930       430.4500 57.02239 24.54823 87.35695 39.46012 -30.33456      46.47275 
1 1 1 8   25 0  o 200.4093 8.635147 1183.439       101.2553 0.000000       0.000000 1183.439       101.2553 ?        ?        200.4093 8.635147 0.000000       8.635147 
1 1 1 8   25 1  o 292.8994 7.630496 2523.260       130.9639 2279.164       275.8588 2594.284       148.8022 276.6681 17.08444 296.8821 8.555159 -20.21396      19.10678 
1 1 1 8   25 2  o 131.7554 9.615684 513.6303       73.79022 83.21238       206.5240 576.6188       79.00526 75.08632 30.33629 139.6295 9.708267 -64.54315      31.85186 
1 1 1 8   25 3  o 248.2569 7.537140 1813.104       109.6113 1679.447       244.7933 1846.623       122.5873 237.1695 17.72734 250.4513 8.357578 -13.28183      19.59866 
1 1 1 8   25 4  o 226.4408 7.509192 1508.729       99.58575 1547.197       234.3226 1500.249       110.0157 227.5776 17.69531 225.7147 8.325089 1.862854       19.55585 
1 1 1 8   25 5  o 121.0123 9.966907 434.0858       70.10947 179.4858       204.3212 468.0631       74.64119 84.74980 31.21772 125.6568 10.21650 -40.90701      32.84697 
1 1 1 8   25 6  o 272.7056 7.310567 2187.324       116.8164 2065.931       225.7033 2231.740       136.5246 263.8221 14.64481 275.3225 8.465158 -11.50040      16.91536 
1 1 1 8   25 7  o 265.3098 7.597342 2071.023       118.0913 1907.200       232.2380 2128.154       137.1455 253.1800 15.71811 268.8066 8.710936 -15.62665      17.97052 
1 1 1 8   25 8  o 174.6517 12.25099 904.8956       124.6898 1128.486       213.9141 789.8313       153.4556 193.6879 19.07900 162.3475 16.33908 31.34039       25.11919 
1 1 1 8   25 9  f 129.4922 12.52119 499.8017       93.90623 541.1749       205.5636 488.8907       105.5651 131.2702 27.57934 127.7338 14.33901 3.536423       31.08420 
1 1 1 8   25 10 o 360.2291 8.845510 3819.320       186.8754 3828.783       298.4968 3813.221       239.6519 359.3600 14.19104 359.3287 11.38641 0.3131104E-01  18.19439 
1 1 1 8   25 11 o 315.7040 11.85841 2946.549       219.1716 2885.721       267.4341 3070.968       382.4790 311.7545 14.66807 319.7727 20.50264 -8.018219      25.20934 
1 1 1 8   25 12 o 90.75191 28.21363 251.1590       166.0121 257.5036       196.6950 235.4469       309.5327 93.22536 30.88346 99.50346 38.04374 -6.278099      49.00117 
1 1 1 8   25 13 o 199.3263 15.03069 1184.505       174.4144 1221.018       205.3727 1090.034       330.3441 201.8069 17.52588 186.1469 31.37373 15.65997       35.93699 
1 1 1 8   25 14 o 147.5135 19.81685 661.3553       167.1091 636.6900       191.1244 741.4185       344.3410 143.6950 23.48982 150.7152 38.74474 -7.020187      45.30923 
1 1 1 8   25 15 o 373.4850 11.03426 4118.400       241.4294 4253.646       298.0260 3860.199       411.7859 378.9569 13.43078 358.9319 19.63660 20.02502       23.79038 
1 1 1 8   25 16 o 322.1653 11.95466 3068.822       225.4823 3109.773       267.6567 2968.714       418.4866 323.7838 14.12926 313.4248 22.92514 10.35901       26.92950 
1 1 1 8   25 17 o 193.3746 16.50019 1118.699       185.3420 1178.201       211.4062 921.0367       385.3118 198.0162 18.41504 167.8638 39.75547 30.15236       43.81337 
1 1 1 8   25 18 o 225.5840 15.19359 1515.722       199.8383 1548.983       238.7473 1437.884       365.2287 227.3403 18.05471 215.0555 29.75393 12.28490       34.80329 
1 1 1 8   25 19 o 59.24596 26.36621 -59.35970      184.5001 120.6464       209.5136 -681.0797      389.3731 78.74599 30.96640 64.06110 31.30917 14.68490       44.03614 
1 1 1 8   25 20 f 107.0013 30.11681 362.2962       196.9369 333.3510       225.3993 455.6862       404.8692 103.8832 32.95707 123.7800 44.17493 -19.89680      55.11436 
1 1 1 8   25 21 o 84.98642 31.05125 189.4258       201.4994 211.0547       229.3339 116.1955       421.9833 89.84755 33.07720 100.3323 42.20887 -10.48475      53.62546 
1 1 1 8   25 22 o 279.6721 13.67193 2325.359       223.5689 2383.376       266.5693 2187.769       410.5122 282.3878 16.16336 266.2262 26.64994 16.16165       31.16847 
1 1 1 8   25 23 o 246.7189 14.89671 1818.213       214.5435 1835.162       254.6376 1776.742       398.3157 246.9492 17.69921 237.8983 29.15754 9.050888       34.10900 
1 1 1 8   25 24 o 143.0819 24.67586 642.4626       199.5880 603.9960       233.7886 745.8463       383.2726 136.7330 29.98183 147.6226 42.17238 -10.88962      51.74379 
1 1 1 8   25 25 o 47.96421 23.03352 -255.4562      188.1750 -151.2770      210.4365 -671.1765      420.3696 57.23394 26.49552 66.99329 32.69655 -9.759350      42.08417 
1 1 1 8   25 26 o 90.41245 29.92677 251.2737       184.7085 265.4532       207.0136 195.9063       409.0669 93.31654 31.69210 101.8515 42.09869 -8.534927      52.69429 
1 1 1 8   25 27 o 177.9656 19.54954 971.1871       200.6881 964.1019       226.6703 996.8867       431.7000 176.1108 22.45626 167.4076 43.55912 8.703201       49.00694 
1 1 1 8   25 28 o 171.6613 19.36461 906.9738       191.5554 973.2831       219.3862 694.2302       392.9618 176.9156 21.59103 138.9622 43.43941 37.95348       48.50933 
1 1 1 8   25 29 o 80.45840 29.95907 178.9991       189.0952 313.8250       211.9665 -346.5709      418.5005 97.85019 32.04322 74.70205 35.44766 23.14814       47.78394 
1 1 1 8   25 30 o 122.9568 27.44339 504.7636       192.8768 557.8205       218.0668 314.0898       413.3942 128.2557 29.59265 104.6171 42.67872 23.63858       51.93456 
1 1 1 8   25 31 o 166.7137 19.06534 871.0336       183.0605 824.3212       206.1190 1045.471       398.3113 160.1337 22.57298 165.0861 41.25779 -4.952347      47.02919 
1 1 1 8   25 32 o 192.6204 18.39112 1160.773       205.2402 1042.137       233.4510 1564.574       430.6961 179.5886 22.66903 206.4409 36.92916 -26.85229      43.33184 
1 1 1 8   25 33 o 255.5563 14.93931 2001.744       222.9307 1937.323       256.7677 2198.989       449.2936 249.2604 17.67926 250.8445 31.21377 -1.584045      35.87277 
1 1 1 8   25 34 o 56.54499 23.93724 36.25756       137.1004 -10.84505      146.2338 378.3854       394.1119 53.60724 23.68462 101.9898 41.64701 -48.38255      47.91070 
1 1 1 8   25 35 o 149.6164 16.72277 705.2607       144.2297 677.0450       155.2820 882.5718       389.2632 145.3786 18.64091 141.3071 43.07349 4.071548       46.93410 
1 1 1 8   25 36 f 85.70924 23.38993 252.5467       120.8273 230.5744       126.8531 467.4788       396.7475 81.68421 24.52326 104.7226 42.13980 -23.03835      48.75606 
1 1 1 8   25 37 o 120.7688 17.51965 468.8495       120.4697 540.1011       127.6282 -113.3925      364.8392 129.9662 17.16339 71.48801 33.67328 58.47816       37.79513 
1 1 1 8   25 38 o 196.5689 12.25729 1184.898       140.6025 1184.275       148.9488 1189.990       426.0113 195.9609 13.03445 158.2110 44.21111 37.74986       46.09251 
1 1 1 8   25 39 o 90.61333 23.88607 291.6965       128.7120 239.0785       135.7704 758.6453       404.4572 81.45018 25.54417 120.4929 43.99743 -39.04269      50.87513 
1 1 1 8   25 40 o 93.53582 25.16868 318.1862       141.0800 325.7798       149.2584 254.5358       432.1327 93.98492 26.13439 87.45535 39.51778 6.529579       47.37786 
1 1 1 8   25 41 o 120.4035 19.54998 485.8132       133.3190 486.6801       138.6556 475.1978       485.2100 119.8216 20.46543 96.57932 42.88206 23.24224       47.51532 
1 1 1 8   25 42 o 54.40778 23.49718 36.07794       136.9745 5.731535       142.2752 420.7203       506.5288 52.40497 23.24709 93.25829 42.39551 -40.85332      48.35086 
1 1 1 8   26 0  o 401.0000 8.159466 4729.489       191.8919 4592.287       344.0454 4791.444       231.1929 393.4813 14.93586 403.3551 9.773190 -9.873779      17.84924 
1 1 1 8   26 1  o 379.6927 9.295294 4244.062       206.9883 0.000000       0.000000 4244.062       206.9883 ?        ?        379.6927 9.295294 0.000000       9.295294 
1 1 1 8   26 2  o 108.8881 11.17924 353.2701       70.37815 11.27277       206.6255 398.1534       74.85400 68.57755 29.22205 115.6665 11.17355 -47.08890      31.28541 
1 1 1 8   26 3  o 220.1793 7.836654 1427.393       101.0333 1606.752       235.6565 1387.000       111.8327 231.8308 17.46069 216.9205 8.808909 14.91032       19.55691 
1 1 1 8   26 4  o 166.7106 8.254024 819.5435       80.45013 920.3948       210.0383 802.2039       87.09197 174.2152 20.97884 164.8405 9.043378 9.374695       22.84501 
1 1 1 8   26 5  o 34.73616 14.85916 -1.827376      53.79722 8.457254       200.9300 -2.621565      55.83573 67.41499 28.77428 35.26849 15.11358 32.14651       32.50199 
1 1 1 8   26 6  o 114.2119 10.43208 387.6380       69.10606 162.2818       204.5872 416.6621       73.42147 82.64659 31.08242 118.4070 10.68787 -35.76042      32.86864 
1 1 1 8   26 7  f 337.4164 7.820445 3348.314       154.7563 3617.931       293.9455 3244.923       182.0260 349.2361 14.38227 331.8256 9.362836 17.41052       17.16136 
1 1 1 8   26 8  o 45.31081 17.63374 38.30315       67.35581 0.000000       0.000000 38.30315       67.35581 ?        ?        45.31081 17.63374 0.000000       17.63374 
1 1 1 8   26 9  o 309.9756 8.885001 2830.878       161.3568 3021.111       277.2526 2733.444       198.4221 318.9023 14.86497 304.1794 11.14151 14.72287       18.57689 
1 1 1 8   26 10 o 129.7464 14.77160 505.1967       110.4025 355.1018       213.1975 560.1943       129.0538 106.4673 31.75198 136.3532 16.47159 -29.88597      35.77012 
1 1 1 8   26 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   26 12 o 72.55167 28.48191 100.8047       176.9822 88.25388       208.5759 133.0777       334.4630 75.51535 30.49485 93.69607 38.32574 -18.18072      48.97753 
1 1 1 8   26 13 o 273.2937 12.39042 2211.202       198.0775 2198.238       238.7158 2239.857       354.9037 271.8825 15.02942 272.1611 22.43387 -0.2785645     27.00300 
1 1 1 8   26 14 o 106.0073 27.52010 354.2466       172.5773 420.7661       199.8538 159.2258       342.1988 115.2047 29.46550 96.41611 39.01517 18.78857       48.89171 
1 1 1 8   26 15 o 50.28346 23.69157 -189.9056      180.8176 -247.1520      204.1616 18.35994       389.4114 51.71713 24.60321 92.11575 39.69937 -40.39862      46.70501 
1 1 1 8   26 16 o 369.4691 11.73942 4033.945       254.0527 4027.241       313.3960 4046.793       433.8786 368.4091 14.53334 367.3019 20.21963 1.107178       24.90083 
1 1 1 8   26 17 o 189.1961 18.46074 1077.154       202.2359 1041.872       235.5392 1176.130       394.5045 185.0127 22.14709 191.3318 36.48846 -6.319092      42.68373 
1 1 1 8   26 18 o 201.1258 16.98586 1212.267       198.4863 1408.202       241.8899 808.4124       347.2752 216.2383 19.27554 157.2699 38.06494 58.96831       42.66716 
1 1 1 8   26 19 o 91.10764 30.92884 242.7571       197.1603 428.4635       229.4790 -280.7838      385.3053 115.7298 32.48753 76.60401 35.59661 39.12579       48.19292 
1 1 1 8   26 20 o 157.8575 22.26203 765.5281       200.3854 848.0620       229.9841 505.3623       408.3260 165.5760 24.41556 127.3718 44.45905 38.20427       50.72205 
1 1 1 8   26 21 o 68.57718 28.74644 38.99868       194.6408 67.39008       228.1443 -36.93698      373.1118 75.70325 31.37883 86.19929 37.96864 -10.49604      49.25696 
1 1 1 8   26 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   26 23 o 171.4349 19.72968 897.5323       194.7543 776.9360       224.4765 1264.624       391.6436 157.3959 25.16521 196.4521 35.28953 -39.05624      43.34327 
1 1 1 8   26 24 o 175.8316 19.52618 944.4158       197.9647 1050.522       231.7770 658.2385       380.6423 184.6716 21.82129 138.4118 42.66983 46.25975       47.92581 
1 1 1 8   26 25 o 234.8495 14.96894 1654.169       205.0995 1524.807       240.0962 2003.435       394.5127 224.1541 18.42621 252.5279 27.05941 -28.37372      32.73739 
1 1 1 8   26 26 f 234.5170 15.02813 1652.828       205.6071 1641.570       231.9982 1694.038       443.8672 232.8861 17.10531 226.4464 34.51176 6.439667       38.51822 
1 1 1 8   26 27 o 201.1454 17.29968 1231.216       202.0986 1116.099       228.6501 1642.322       432.0938 189.8772 20.87680 221.8831 34.31099 -32.00589      40.16323 
1 1 1 8   26 28 o 74.20343 28.87896 130.9066       180.6596 151.5495       207.5375 66.33473       367.0569 79.07214 30.90135 87.75100 38.17759 -8.678864      49.11641 
1 1 1 8   26 29 o 53.08856 24.22924 -80.03954      167.5128 11.64519       189.1090 -414.0851      360.9663 63.44944 27.50532 65.35360 31.51546 -1.904163      41.83022 
1 1 1 8   26 30 o 78.14181 28.91785 179.7377       175.6771 153.4126       195.0797 292.6782       404.0659 76.71883 29.96597 100.8794 41.78209 -24.16061      51.41694 
1 1 1 8   26 31 o 65.37563 27.11332 71.81374       170.4680 83.55765       190.7515 25.23539       379.8863 68.91853 28.64033 83.11864 37.34908 -14.20011      47.06614 
1 1 1 8   26 32 o 128.1640 26.17045 557.5413       190.0508 613.4329       213.2028 341.3100       419.3524 133.2132 28.17109 101.7919 42.39671 31.42129       50.90276 
1 1 1 8   26 33 o 62.72533 27.51819 14.24388       194.1905 -24.83698      225.1746 127.6635       383.6026 63.93844 28.74072 86.68562 38.32700 -22.74718      47.90603 
1 1 1 8   26 34 o 125.5524 26.37962 548.2408       188.0580 468.9041       211.3281 850.1433       412.2431 112.5059 31.02590 136.3180 44.68948 -23.81214      54.40364 
1 1 1 8   26 35 o 69.66517 27.96317 127.2147       174.2413 106.6828       192.3228 221.2618       411.6130 69.27557 28.77077 90.33899 39.83231 -21.06342      49.13624 
1 1 1 8   26 36 o 175.9319 14.37779 961.4142       147.0572 981.2449       158.2651 836.0917       397.8600 177.0323 15.39638 132.4772 43.92454 44.55518       46.54475 
1 1 1 8   26 37 o 59.54867 24.23282 80.29743       132.8791 58.13363       139.8786 285.2771       425.3875 57.97334 24.33976 91.22203 40.34530 -33.24870      47.11865 
1 1 1 8   26 38 o 111.1547 23.37862 431.2468       147.5648 439.1407       158.1768 378.2673       409.7779 110.9990 24.91134 94.46210 40.71755 16.53687       47.73357 
1 1 1 8   26 39 o 155.9003 18.62278 796.1336       166.9079 673.4405       181.1820 1484.049       429.0148 139.6778 22.91121 181.0703 41.31478 -41.39252      47.24229 
1 1 1 8   26 40 o 88.51467 25.31425 288.2712       138.0226 326.6422       145.7262 -46.13736      430.2045 93.99835 25.70144 74.87002 35.64500 19.12833       43.94462 
1 1 1 8   26 41 f 71.60500 27.01209 176.0775       154.7749 168.8475       167.0790 219.8126       410.9303 71.22845 27.75777 83.84661 38.14382 -12.61816      47.17463 
1 1 1 8   27 0  f 238.4541 8.915540 1676.161       124.4622 0.000000       0.000000 1676.161       124.4622 ?        ?        238.4541 8.915540 0.000000       8.915540 
1 1 1 8   27 1  o 289.1203 8.943748 2463.117       151.4698 0.000000       0.000000 2463.117       151.4698 ?        ?        289.1203 8.943748 0.000000       8.943748 
1 1 1 8   27 2  o 316.4557 7.735301 2945.238       143.5624 2518.378       258.9388 3134.682       172.5026 291.0201 15.22427 326.1787 9.026247 -35.15857      17.69892 
1 1 1 8   27 3  o 307.1549 8.975933 2779.868       161.5182 0.000000       0.000000 2779.868       161.5182 ?        ?        307.1549 8.975933 0.000000       8.975933 
1 1 1 8   27 4  o 133.9301 9.611208 531.0809       74.99109 324.0931       209.4107 561.5296       80.31767 102.3493 31.66590 137.6799 10.01544 -35.33059      33.21202 
1 1 1 8   27 5  o 356.1952 7.670578 3731.407       160.2384 3259.995       263.6404 4007.569       201.7871 331.6282 13.58408 368.7639 9.337789 -37.13577      16.48398 
1 1 1 8   27 6  o 151.7786 9.434671 681.1154       83.56705 371.8144       213.1956 737.2643       90.83607 108.6216 31.58366 157.8761 9.859726 -49.25452      33.08688 
1 1 1 8   27 7  o 259.2947 7.924847 1979.583       120.3719 1986.631       238.5234 1977.175       139.4288 258.2025 15.82749 258.9551 9.195332 -0.7526245     18.30474 
1 1 1 8   27 8  o 197.7082 8.671485 1152.740       100.3023 1418.558       238.4809 1095.613       110.5563 217.2261 18.90756 192.5813 9.820988 24.64485       21.30604 
1 1 1 8   27 9  o 503.8347 9.756618 7479.316       288.2956 7457.766       449.4981 7494.375       375.7616 501.1474 15.31164 503.3440 12.73932 -2.196625      19.91824 
1 1 1 8   27 10 o 128.9286 13.95037 497.7196       103.8054 348.2061       221.0843 540.0024       117.5710 105.7798 32.50304 134.1023 15.21779 -28.32254      35.88912 
1 1 1 8   27 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   27 12 o 218.9776 16.98609 1434.201       216.4395 1601.507       262.5106 1079.007       382.4932 230.7518 19.58251 183.0164 36.91077 47.73538       41.78372 
1 1 1 8   27 13 o 211.3138 17.97602 1339.224       220.6651 1541.806       264.2736 872.7695       401.0129 226.2272 20.12854 162.6861 41.80624 63.54105       46.39956 
1 1 1 8   27 14 o 258.7259 14.34748 1988.745       216.8513 1897.801       252.2557 2246.240       424.4616 252.0125 17.16998 270.7028 27.09989 -18.69025      32.08134 
1 1 1 8   27 15 o 413.4067 11.94825 5051.771       289.3853 5100.855       357.7390 4958.843       492.2297 414.5553 14.73753 406.3563 20.72272 8.199005       25.42884 
1 1 1 8   27 16 o 60.00718 26.49841 -44.79098      182.8155 11.75189       206.7882 -247.1233      391.1734 68.44250 29.20114 78.91179 36.38622 -10.46928      46.65473 
1 1 1 8   27 17 o 345.7667 12.20598 3538.834       247.1296 3561.403       299.1427 3490.322       438.5730 346.1217 14.77062 339.7915 22.12828 6.330261       26.60512 
1 1 1 8   27 18 o 170.4999 20.11099 883.7164       197.2333 959.4803       230.9378 679.4869       379.1605 176.9017 22.78813 142.9989 42.26874 33.90282       48.02026 
1 1 1 8   27 19 o 151.7961 23.22323 712.5156       200.1814 632.1912       232.5018 942.6855       393.5744 140.8715 29.10518 167.9623 40.44140 -27.09076      49.82588 
1 1 1 8   27 20 o 175.7722 21.05203 945.1687       212.7058 867.5657       244.5221 1186.523       431.2276 166.5713 25.86929 188.2200 40.28185 -21.64864      47.87324 
1 1 1 8   27 21 o 234.9498 15.84393 1655.327       217.0408 1895.349       257.0666 1059.502       405.0224 250.8518 17.58481 177.2081 39.93129 73.64366       43.63179 
1 1 1 8   27 22 o 244.4120 15.56083 1791.277       221.8936 1977.407       266.7712 1373.383       399.7267 255.9571 17.88390 205.1660 34.43970 50.79105       38.80627 
1 1 1 8   27 23 o 43.75500 21.48693 -366.7521      190.1697 -430.9545      220.3470 -179.3290      376.4811 46.74512 22.98983 78.54706 36.02668 -31.80194      42.73703 
1 1 1 8   27 24 o 156.2698 22.38696 760.0233       199.3199 709.2153       233.8632 894.9188       381.0610 148.6145 27.85500 160.7815 40.45213 -12.16693      49.11492 
1 1 1 8   27 25 o 149.1012 23.49131 699.8704       198.6277 579.5820       230.1938 1050.465       392.9928 132.6255 30.26484 174.1504 39.40164 -41.52492      49.68350 
1 1 1 8   27 26 f 114.1058 27.84413 427.9217       184.6631 557.8057       213.4815 41.90624       368.0313 130.1909 28.73048 87.33725 38.10927 42.85370       47.72585 
1 1 1 8   27 27 o 174.8442 18.23928 941.7198       184.2821 907.1962       207.5897 1070.083       400.2842 170.1419 21.26706 171.9890 40.37926 -1.847107      45.63740 
1 1 1 8   27 28 o 167.7594 19.29196 878.0697       186.3566 982.9063       211.7594 518.0624       392.4116 176.7507 20.82766 118.7766 43.34249 57.97407       48.08704 
1 1 1 8   27 29 o 152.4950 21.93445 745.7455       190.5337 804.3309       221.0789 576.5840       375.6674 156.6324 24.89907 121.7961 42.63491 34.83625       49.37307 
1 1 1 8   27 30 o 65.95504 27.71864 63.36683       181.6946 212.9786       203.6310 -520.9606      402.4290 83.11868 31.06156 65.31845 31.90344 17.80023       44.52696 
1 1 1 8   27 31 o 66.30371 28.11694 60.21232       189.7071 -0.9461392     217.3778 255.6098       388.5495 64.98669 28.78656 95.33630 40.32527 -30.34962      49.54587 
1 1 1 8   27 32 o 68.53599 28.46179 91.72842       188.1972 16.36324       210.1914 396.3652       422.5915 64.89520 28.54449 103.7631 42.82919 -38.86786      51.46967 
1 1 1 8   27 33 o 60.45245 26.91782 -6.715403      192.5699 74.45838       222.9258 -245.3776      382.2471 70.00365 30.10194 69.65734 33.28385 0.3463058      44.87696 
1 1 1 8   27 34 o 115.4727 27.83439 478.3972       186.2770 454.3789       208.2261 574.6458       416.8319 110.0908 30.96152 112.0429 43.79140 -1.952065      53.63116 
1 1 1 8   27 35 o 50.73893 24.03325 -151.8407      190.7027 -193.5043      214.0780 8.297000       419.7011 52.17435 24.92417 80.07650 37.19015 -27.90215      44.76965 
1 1 1 8   27 36 o 191.3923 17.40760 1171.391       193.2596 1141.010       216.4419 1290.864       429.2101 186.3516 20.12296 167.6434 43.33935 18.70818       47.78319 
1 1 1 8   27 37 o 265.1708 15.07809 2206.044       233.5227 2481.246       272.9705 1454.916       450.9692 279.1591 16.75002 175.8210 43.87738 103.3381       46.96581 
1 1 1 8   27 38 o 58.48097 24.07030 75.18121       132.9756 97.86427       139.0239 -168.6266      455.7876 61.72670 24.90727 73.56968 35.46152 -11.84298      43.33465 
1 1 1 8   27 39 o 70.10884 26.44028 164.3966       148.2681 171.0195       159.5027 122.2891       402.1813 71.40141 27.30700 79.90556 36.86243 -8.504158      45.87494 
1 1 1 8   27 40 o 127.1747 24.84793 581.6978       178.6800 685.0698       199.0336 152.4094       405.6016 137.4756 25.62858 80.79711 37.18157 56.67847       45.15854 
1 1 1 8   28 0  o 306.4053 8.108977 2764.183       145.5898 2853.195       299.8582 2736.728       166.5367 309.3409 16.58897 304.6797 9.330997 4.661224       19.03317 
1 1 1 8   28 1  o 179.9796 13.69476 964.3113       143.4682 953.6971       241.2065 970.1223       178.4700 176.3247 23.94325 179.7720 17.13449 -3.447327      29.44266 
1 1 1 8   28 2  o 183.3365 8.880640 991.8846       95.20288 952.5035       234.7033 999.6403       104.1565 176.4319 23.24767 183.9439 9.689129 -7.511963      25.18597 
1 1 1 8   28 3  o 144.6374 9.905136 619.3517       83.51452 1010.646       238.5822 564.7105       89.15511 181.9396 22.86300 137.9011 11.11788 44.03857       25.42291 
1 1 1 8   28 4  o 99.86947 12.94988 299.7506       74.06469 -240.2712      215.8201 371.8395       78.85342 54.07827 25.60080 111.5287 12.25723 -57.45047      28.38381 
1 1 1 8   28 5  o 413.0987 8.383607 5021.868       203.1118 5570.924       381.7004 4804.990       239.8959 433.1468 15.04864 403.6244 10.14236 29.52240       18.14742 
1 1 1 8   28 6  o 135.9387 11.50750 549.3081       90.88231 0.000000       0.000000 549.3081       90.88231 ?        ?        135.9387 11.50750 0.000000       11.50750 
1 1 1 8   28 7  o 62.01501 17.40484 117.6820       65.87209 44.18856       225.7114 124.5243       68.87025 73.94908 30.97424 63.73433 17.76360 10.21475       35.70643 
1 1 1 8   28 8  o 307.1243 7.617074 2773.968       137.1996 3274.423       313.6573 2655.557       152.5698 331.6305 16.17568 300.2459 8.673541 31.38458       18.35437 
1 1 1 8   28 9  o 262.0806 10.30808 2027.814       158.1304 2437.318       291.4137 1856.914       188.2571 285.6386 17.47943 250.2972 12.86783 35.34142       21.70510 
1 1 1 8   28 10 o 182.2322 22.35944 1011.483       233.9642 1171.878       285.5552 683.9075       408.0858 195.3004 25.54234 144.5880 44.10833 50.71245       50.97015 
1 1 1 8   28 11 f 259.1308 15.23463 1998.204       230.5055 1800.079       278.9949 2424.302       409.1495 244.7160 19.60324 282.2222 24.97713 -37.50626      31.75129 
1 1 1 8   28 12 o 365.2954 12.92545 3950.589       276.4746 3532.830       320.7351 5158.660       545.4189 344.5614 15.91490 413.6079 22.57043 -69.04654      27.61717 
1 1 1 8   28 13 o 74.46940 30.32643 77.99882       208.2873 -10.33076      233.9419 415.7666       457.4715 70.85600 30.65446 123.5676 46.47764 -52.71158      55.67645 
1 1 1 8   28 14 o 243.3411 16.11489 1767.593       228.6861 1856.053       268.5524 1534.214       436.1980 248.6817 18.54699 219.5222 35.05971 29.15945       39.66326 
1 1 1 8   28 15 o 48.13968 23.12442 -265.9196      189.9730 -281.5182      216.2182 -213.1131      397.8267 52.15896 24.95255 80.98701 37.10408 -28.82804      44.71400 
1 1 1 8   28 16 o 107.6839 30.66909 368.7071       203.0044 482.8307       232.1434 -2.208777      418.5103 122.4636 31.98069 93.23852 40.66234 29.22511       51.73191 
1 1 1 8   28 17 o 231.2175 16.01059 1599.635       215.7686 1576.920       248.9987 1668.109       432.3165 228.7276 18.72592 229.0233 33.14926 -0.2956543     38.07274 
1 1 1 8   28 18 o 244.9912 15.22365 1793.641       217.6550 1752.020       257.3906 1898.095       407.7589 241.1068 18.34017 246.3599 28.76222 -5.253098      34.11198 
1 1 1 8   28 19 o 278.1063 14.26212 2306.789       231.8423 2387.725       276.7546 2116.334       424.5391 282.0433 16.80749 260.0325 28.29379 22.01077       32.90942 
1 1 1 8   28 20 o 157.1001 22.54853 764.8027       201.8053 715.8093       236.6098 895.5649       386.5492 149.8324 27.95427 161.9468 40.74074 -12.11449      49.40900 
1 1 1 8   28 21 o 168.5196 21.89865 877.1750       211.3167 912.3274       252.4274 794.8394       386.3256 170.1781 26.12546 151.5529 42.00902 18.62512       49.47017 
1 1 1 8   28 22 o 137.7159 26.47524 605.3318       206.0670 573.3541       235.2035 710.9457       427.4458 132.2817 30.88163 142.3660 45.41042 -10.08423      54.91613 
1 1 1 8   28 23 o 80.08454 30.59141 157.7362       200.0237 187.5016       225.5378 48.05499       432.9418 85.57150 32.53272 94.67332 41.32153 -9.101814      52.59131 
1 1 1 8   28 24 o 225.7068 17.23108 1545.774       226.3665 1432.002       259.8213 1904.198       461.1648 215.5454 20.81201 240.1964 33.65964 -24.65097      39.57412 
1 1 1 8   28 25 o 153.6457 22.82120 744.5943       199.4035 800.5561       231.1656 581.8874       394.1671 157.9320 25.85114 127.7756 43.72442 30.15636       50.79475 
1 1 1 8   28 26 o 231.4909 14.32190 1618.135       193.4875 1776.928       225.0190 1167.637       379.0087 241.7939 15.95725 182.4613 36.69143 59.33257       40.01118 
1 1 1 8   28 27 o 66.27754 27.50954 66.77922       175.6854 73.34692       196.6981 40.87255       390.6604 69.53732 29.00522 86.60753 38.46485 -17.07021      48.17518 
1 1 1 8   28 28 o 86.92503 30.01539 247.6610       185.8737 218.2325       211.9243 345.7729       386.9526 84.64984 31.67680 103.3458 41.60566 -18.69593      52.29198 
1 1 1 8   28 29 f 98.80242 29.25869 340.1191       181.5380 477.8395       207.8064 -103.6600      373.0295 116.3937 30.18970 76.42182 35.34244 39.97190       46.48124 
1 1 1 8   28 30 o 220.1296 16.64002 1503.173       213.2330 1470.422       246.0020 1602.130       427.6064 215.3899 19.69196 207.8533 36.40404 7.536606       41.38874 
1 1 1 8   28 31 o 152.5491 22.16836 762.0674       192.5317 818.0646       220.0047 578.9191       397.8784 156.1436 24.85717 116.6084 43.45001 39.53520       50.05779 
1 1 1 8   28 32 o 149.8038 26.49493 775.2719       224.2608 747.8747       256.8801 863.0660       459.8438 142.6008 31.55189 133.4955 47.13461 9.105316       56.72030 
1 1 1 8   28 33 f 122.4948 27.73710 536.0196       194.6160 568.4902       219.0502 414.3451       424.0319 124.0303 30.36269 101.3606 42.45504 22.66962       52.19505 
1 1 1 8   28 34 o 77.66631 29.15124 200.6213       179.7615 345.2711       199.1648 -435.1210      417.5363 95.53510 31.04572 65.84901 32.23352 29.68609       44.75306 
1 1 1 8   28 35 o 130.7265 25.30870 600.9125       187.0238 719.7389       215.1874 233.9995       378.1307 141.9419 26.83257 87.36544 38.36161 54.57644       46.81452 
1 1 1 8   28 36 f 106.9309 28.86139 432.6302       185.1715 442.0375       202.7854 385.4269       454.2458 106.4077 30.76259 95.33985 41.94810 11.06786       52.01904 
1 1 1 8   28 37 o 79.53255 31.10561 224.3027       210.4258 266.3414       236.2652 63.03126       462.7580 84.13219 32.94381 81.22379 38.15429 2.908394       50.40877 
1 1 1 8   28 38 o 97.59989 31.63235 387.8701       206.8407 439.8242       229.4977 163.0335       477.4214 102.2187 33.33375 84.13957 39.27388 18.07912       51.51287 
1 1 1 8   28 39 o 74.26859 31.93211 155.7328       250.8007 2.849165       314.3551 423.4674       415.9990 69.52657 32.25454 93.92876 40.75613 -24.40219      51.97516 
1 1 1 8   28 40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   29 0  o 359.3590 8.553588 3800.874       180.2716 3784.561       341.8304 3807.159       212.1754 356.4716 16.39456 359.2594 10.08013 -2.787750      19.24553 
1 1 1 8   29 1  o 348.1726 8.536264 3567.840       174.3062 3727.681       339.4746 3510.612       203.1271 353.7789 16.40624 344.9808 10.05045 8.798035       19.23997 
1 1 1 8   29 2  o 263.5010 8.460372 2045.457       130.5747 2635.912       300.6283 1908.167       144.9623 297.0956 17.32896 254.3023 9.737727 42.79335       19.87753 
1 1 1 8   29 3  o 124.7393 11.86663 463.5542       85.76778 119.1622       243.0032 512.5612       91.66725 82.61671 33.07042 131.1926 12.04834 -48.57589      35.19680 
1 1 1 8   29 4  o 368.6745 8.447750 3999.960       182.6563 3737.499       321.9817 4124.504       221.7996 354.5507 15.52230 373.9455 10.12282 -19.39474      18.53141 
1 1 1 8   29 5  o 411.4158 8.716484 4982.264       210.3163 5359.220       388.5018 4825.996       250.1395 424.6471 15.62628 404.4211 10.55527 20.22598       18.85721 
1 1 1 8   29 6  o 199.6597 9.722533 1177.208       113.5044 954.3077       270.5074 1224.838       125.0448 175.3748 27.17918 203.5497 10.51037 -28.17494      29.14062 
1 1 1 8   29 7  f 218.7231 13.82703 1421.655       176.4596 1471.532       267.4844 1383.221       234.8010 220.7037 20.91469 214.5177 18.85485 6.186005       28.15901 
1 1 1 8   29 8  o 373.7073 10.66795 4121.869       233.5708 4160.674       356.8207 4092.775       308.9620 373.8591 16.31317 371.4599 14.20836 2.399200       21.63324 
1 1 1 8   29 9  o 303.7488 9.645376 2720.953       171.6064 3379.542       340.7794 2497.208       198.6290 336.5107 17.32561 290.5901 11.67877 45.92068       20.89426 
1 1 1 8   29 10 o 259.8908 10.83475 1995.936       164.7808 1949.171       294.6061 2017.226       198.7831 254.5214 19.89431 260.8304 13.03615 -6.308990      23.78497 
1 1 1 8   29 11 o 157.1859 24.97725 764.6661       222.5606 859.3298       260.0428 505.4478       430.3143 165.9099 27.70130 129.0293 45.59264 36.88054       53.34838 
1 1 1 8   29 12 o 310.4081 13.80455 2860.124       250.6791 3058.289       296.3257 2361.395       470.0973 320.4016 15.81863 275.9876 29.50040 44.41403       33.47392 
1 1 1 8   29 13 o 86.00241 31.00442 199.1841       199.9913 184.8462       222.2245 260.2745       458.7067 86.45473 32.41986 112.2804 45.26521 -25.82565      55.67752 
1 1 1 8   29 14 f 112.3875 30.43052 403.9925       205.4628 471.7788       235.7173 189.6035       419.2004 120.9665 32.52562 104.4532 42.83698 16.51331       53.78590 
1 1 1 8   29 15 o 159.9652 23.67909 791.2653       215.4463 956.2754       250.2463 318.6475       423.5138 175.6629 24.99502 113.2274 44.17376 62.43555       50.75502 
1 1 1 8   29 16 o 195.0790 19.39948 1154.179       219.0099 1081.946       251.8514 1378.231       443.5574 187.4079 23.42439 204.5096 38.39116 -17.10167      44.97314 
1 1 1 8   29 17 o 151.3042 23.56102 712.2454       202.2671 595.1559       238.7380 1010.083       380.7604 135.5586 30.73960 173.9036 38.36411 -38.34499      49.16022 
1 1 1 8   29 18 o 167.4346 21.46340 862.7064       205.9218 802.6710       236.9966 1047.667       415.9859 159.6113 26.22813 175.2360 41.17850 -15.62465      48.82196 
1 1 1 8   29 19 o 122.0928 28.44486 481.6782       199.8819 575.8766       228.7701 177.7542       410.9227 133.1489 30.01596 101.2195 42.04760 31.92942       51.66196 
1 1 1 8   29 20 o 171.3344 21.53682 905.8944       211.6397 820.1004       254.7930 1096.813       380.0872 160.1624 28.15249 180.9249 37.06805 -20.76253      46.54678 
1 1 1 8   29 21 o 43.12791 21.36698 -449.9673      202.8750 -565.6080      233.5234 -94.11008      409.6501 44.79261 22.31375 85.67598 38.61660 -40.88337      44.59983 
1 1 1 8   29 22 o 270.0743 14.67543 2188.450       231.5740 2146.260       266.0600 2320.285       470.3199 266.3674 17.12199 268.5493 30.39575 -2.181885      34.88645 
1 1 1 8   29 23 o 103.0991 31.74784 350.0254       210.7905 452.7613       240.6592 11.49401       436.8585 115.8655 33.51709 92.04111 40.78769 23.82442       52.79234 
1 1 1 8   29 24 o 157.6783 22.83132 785.9546       204.9947 825.5149       232.6269 648.4772       433.6563 160.2381 25.61621 132.4886 45.84202 27.74953       52.51363 
1 1 1 8   29 25 o 60.76869 26.65792 -10.41239      182.2100 -56.12853      207.3687 144.4447       381.6577 61.30539 27.56706 92.45540 39.56446 -31.15001      48.22125 
1 1 1 8   29 26 o 165.7975 19.67681 863.0806       187.6034 931.2593       213.6665 633.6415       391.9636 171.0672 21.79098 127.4476 43.60231 43.61962       48.74431 
1 1 1 8   29 27 o 101.0492 29.22410 353.3743       182.9785 348.2383       204.0952 374.4125       413.0695 99.84950 31.31944 105.7252 42.83514 -5.875687      53.06371 
1 1 1 8   29 28 o 75.06501 29.36032 150.9225       187.4855 292.9576       211.0312 -381.1519      408.4464 92.32681 31.97728 69.62653 33.56301 22.70029       46.35754 
1 1 1 8   29 29 o 157.9917 22.51657 814.5167       202.7376 872.0553       237.8683 661.7286       387.6163 160.9068 26.09987 125.3656 43.34210 35.54124       50.59388 
1 1 1 8   29 30 o 147.8528 22.74845 721.1628       190.9434 780.1876       211.8440 465.5340       440.8630 152.5860 24.50205 107.8995 44.05262 44.68655       50.40816 
1 1 1 8   29 31 o 63.05932 26.90414 54.29440       175.5323 106.7481       191.4068 -223.1629      440.2175 69.54170 28.77558 74.87905 35.76239 -5.337349      45.90188 
1 1 1 8   29 32 o 58.78130 26.29770 -12.47458      186.0921 40.52918       201.6499 -316.7527      483.1479 64.64160 28.20749 74.47791 36.04837 -9.836304      45.77278 
1 1 1 8   29 33 o 173.5200 19.12080 974.7668       191.3615 962.5565       209.7692 1035.321       467.1458 170.4122 21.46405 141.9209 47.60818 28.49136       52.22302 
1 1 1 8   29 34 o 79.53512 30.81531 215.1040       204.9883 221.3432       232.9254 193.6741       431.6795 81.14666 32.41261 87.16371 39.43082 -6.017052      51.04280 
1 1 1 8   29 35 o 70.71214 29.09298 137.3303       194.1600 201.0211       220.4352 -83.07771      410.0682 78.10184 31.41658 74.16135 35.16122 3.940491       47.15202 
1 1 1 8   29 36 o 164.1470 23.27623 930.3638       217.7999 1032.771       247.6018 580.1165       457.9047 170.5544 25.53838 104.4334 43.95345 66.12099       50.83418 
1 1 1 8   29 37 o 79.49834 30.91756 230.8197       206.9497 238.2798       231.4450 201.0669       462.2092 80.72439 32.28741 85.16207 39.36912 -4.437683      50.91566 
1 1 1 8   29 38 o 122.0847 31.69197 603.2251       228.8757 558.1137       272.6488 710.8683       421.1664 110.9594 36.34195 111.5750 43.89607 -0.6155701     56.98774 
1 1 1 8   29 39 o 73.20774 32.24166 133.0464       268.9564 142.5531       335.0011 115.8059       451.1342 76.91121 34.76985 80.15161 37.65738 -3.240402      51.25446 
1 1 1 8   30 0  o 332.9864 12.03869 3279.502       234.7150 3342.350       353.3358 3229.866       314.0080 334.3832 18.08472 329.2785 16.31100 5.104736       24.35376 
1 1 1 8   30 1  o 224.9431 11.27081 1496.994       148.2152 1969.888       320.7374 1368.591       167.1304 255.3279 21.62219 214.6665 13.34113 40.66139       25.40678 
1 1 1 8   30 2  o 481.8321 11.08464 6850.379       313.2331 7526.382       488.7947 6379.331       408.0230 502.8518 16.59707 463.5329 15.02893 39.31888       22.39043 
1 1 1 8   30 3  o 402.3548 10.98364 4779.885       258.9402 5337.965       399.8577 4376.818       339.8179 423.5634 16.12614 383.8206 15.12581 39.74283       22.10978 
1 1 1 8   30 4  o 289.7963 12.48819 2486.817       211.7495 2773.941       321.4225 2266.653       281.4590 304.5192 18.07882 275.3379 17.52094 29.18127       25.17593 
1 1 1 8   30 5  o 207.1694 16.19574 1282.969       195.2153 1240.362       276.5613 1325.278       275.5935 201.4563 23.87113 208.6474 22.89769 -7.191132      33.07771 
1 1 1 8   30 6  o 29.43131 14.06388 -92.25407      68.27171 -119.1124      256.4518 -90.20540      70.82764 67.12142 30.37532 30.40676 14.47266 36.71466       33.64696 
1 1 1 8   30 7  o 150.4569 10.94357 671.4546       95.90527 321.3187       258.3410 727.4219       103.2862 104.0202 35.40253 156.5723 11.32457 -52.55202      37.16968 
1 1 1 8   30 8  o 184.9226 9.913938 1010.912       107.1264 1378.473       276.8942 946.2105       116.1730 212.8445 22.52333 178.6968 11.14047 34.14766       25.12788 
1 1 1 8   30 9  o 143.2463 12.55431 611.4535       104.4044 246.2581       262.4443 680.1143       113.7965 96.29987 35.39610 151.0547 12.97075 -54.75480      37.69780 
1 1 1 8   30 10 o 172.3279 11.54064 881.2937       115.9646 588.2568       270.2168 947.4468       128.3886 134.6937 34.16163 178.5592 12.33592 -43.86543      36.32068 
1 1 1 8   30 11 o 320.5393 11.97738 3042.590       224.7651 0.000000       0.000000 3042.590       224.7651 ?        ?        320.5393 11.97738 0.000000       11.97738 
1 1 1 8   30 12 o 358.0963 12.67439 3801.926       265.7615 3832.461       310.8808 3719.033       512.2142 358.8199 14.80473 348.5846 25.22556 10.23532       29.24909 
1 1 1 8   30 13 o 222.8043 17.29287 1491.966       224.1971 1427.804       251.4214 1741.033       495.3642 217.0532 19.97469 231.0714 37.86364 -14.01820      42.80938 
1 1 1 8   30 14 o 96.59676 32.73827 281.0417       220.8964 273.1627       247.2852 312.1600       491.4392 97.24563 34.54288 116.3315 46.86863 -19.08589      58.22267 
1 1 1 8   30 15 o 115.3082 33.18073 432.7563       236.4334 398.7386       272.9679 534.9350       473.0851 111.7784 36.34710 130.1242 47.57303 -18.34579      59.86907 
1 1 1 8   30 16 o 232.8538 18.74533 1641.816       253.8308 1979.956       305.9257 894.6948       454.7400 255.0228 20.63036 159.5022 46.05282 95.52061       50.46260 
1 1 1 8   30 17 o 158.0814 23.43152 778.6788       210.6690 1001.255       248.8608 215.8227       395.7450 179.2536 24.29716 102.5054 41.78015 76.74814       48.33149 
1 1 1 8   30 18 o 63.59894 27.59277 -6.817367      190.6325 155.1472       217.0411 -553.5266      398.7587 81.81004 31.70512 67.58879 32.72239 14.22124       45.56281 
1 1 1 8   30 19 o 121.5812 29.56523 482.8443       208.7496 405.2694       240.8634 716.9659       418.4379 111.1329 33.88369 142.6872 44.85741 -31.55425      56.21647 
1 1 1 8   30 20 o 91.36138 31.23113 255.2297       201.0865 473.4732       235.7836 -326.9560      385.1003 119.2294 32.72943 73.00603 34.45169 46.22333       47.51984 
1 1 1 8   30 21 o 254.6175 15.69732 1954.778       233.2640 2062.193       271.1923 1649.305       457.3315 260.5056 17.85849 221.0198 36.55867 39.48579       40.68737 
1 1 1 8   30 22 o 83.31151 31.15540 190.2672       204.9360 332.6303       233.8209 -281.5111      425.6511 101.0218 33.67832 78.15754 36.67550 22.86423       49.79279 
1 1 1 8   30 23 o 46.05416 22.38077 -297.9512      191.1828 -194.2950      213.3974 -719.5022      430.3448 54.49109 25.69353 65.10372 32.04033 -10.61264      41.06994 
1 1 1 8   30 24 o 60.35551 26.86878 -33.22092      191.7611 13.94640       213.9443 -225.9419      432.4586 66.99850 29.14790 79.01965 37.04417 -12.02114      47.13672 
1 1 1 8   30 25 o 78.07236 29.66376 171.5734       187.4432 178.3281       207.3765 141.4180       438.1675 80.32146 31.02824 94.12045 41.31229 -13.79898      51.66679 
1 1 1 8   30 26 o 133.8972 24.03259 590.5109       181.7874 617.1777       206.0103 496.6971       386.3993 135.1426 26.93822 113.7581 42.73053 21.38449       50.51303 
1 1 1 8   30 27 o 56.86845 25.90990 -67.27818      190.5098 93.09183       212.3886 -727.5758      430.9624 71.75797 30.05064 62.81351 31.12380 8.944462       43.26352 
1 1 1 8   30 28 o 65.30919 27.48175 65.81812       178.9559 76.51894       196.6694 14.31289       431.4732 68.31931 28.78258 84.90928 38.80299 -16.58997      48.31261 
1 1 1 8   30 29 o 41.45673 20.48139 -351.1907      181.7186 -388.9010      203.1689 -200.3591      406.3247 43.69984 21.60187 73.82124 35.00009 -30.12140      41.12963 
1 1 1 8   30 30 o 153.0806 20.72605 765.3302       181.2989 754.6027       198.6305 818.8789       443.7830 150.0389 23.33102 130.2371 46.27352 19.80179       51.82253 
1 1 1 8   30 31 o 138.5946 23.87764 652.9080       187.0792 669.2299       205.1161 572.1553       456.2396 138.4577 26.21965 110.5469 44.93365 27.91080       52.02406 
1 1 1 8   30 32 o 215.3437 15.28057 1448.764       191.7308 1398.235       207.7942 1738.195       497.3197 210.0119 17.01657 197.2164 44.10461 12.79550       47.27346 
1 1 1 8   30 33 o 51.50688 24.39134 -146.0161      196.2103 -238.3867      211.2809 433.0517       529.0031 49.50376 23.93092 99.36524 44.40466 -49.86148      50.44267 
1 1 1 8   30 34 o 83.02335 30.73068 254.9763       198.4116 152.1479       220.7417 687.4750       452.7101 73.72569 30.73760 112.4164 45.09058 -38.69073      54.57070 
1 1 1 8   30 35 o 131.7339 28.54592 649.4761       214.1605 674.9783       251.1851 581.5889       409.8266 129.2684 33.01812 105.9921 42.76589 23.27631       54.02886 
1 1 1 8   30 36 o 70.21169 29.61997 130.5945       208.7337 143.9998       235.0317 80.54662       454.1303 72.93467 31.12502 80.43180 37.78688 -7.497131      48.95524 
1 1 1 8   30 37 o 62.21487 28.20744 8.607006       222.3941 54.17696       254.6075 -138.0722      456.7896 67.78933 30.50895 73.04529 35.28095 -5.255959      46.64270 
1 1 1 8   30 38 o 56.89211 27.22733 -167.5402      257.9750 -321.1053      330.1081 73.38083       413.4732 58.68760 28.71379 77.26016 36.22015 -18.57256      46.22100 
1 1 1 8   31 0  o 47.45190 19.06837 32.57746       81.11907 -181.1159      278.6180 52.36934       84.79245 66.96506 30.81634 51.34818 19.83937 15.61687       36.65033 
1 1 1 8   31 1  o 96.73345 17.59794 287.2864       96.15977 0.000000       0.000000 287.2864       96.15977 ?        ?        96.73345 17.59794 0.000000       17.59794 
1 1 1 8   31 2  o 62.88667 20.53314 114.8149       87.06704 -64.73641      260.0270 137.4876       92.40083 70.83102 31.42399 67.73040 21.04754 3.100616       37.82150 
1 1 1 8   31 3  o 148.8776 11.60198 658.6671       100.5013 465.5810       259.5585 692.7209       109.0041 120.4089 34.80136 152.5806 12.28505 -32.17165      36.90606 
1 1 1 8   31 4  o 373.7516 10.66850 4125.654       233.6104 0.000000       0.000000 4125.654       233.6104 ?        ?        373.7516 10.66850 0.000000       10.66850 
1 1 1 8   31 5  o 417.1008 15.57792 5179.049       380.3972 5179.049       380.3972 0.000000       0.000000 417.1008 15.57792 ?        ?        0.000000       15.57792 
1 1 1 8   31 6  o 318.3940 8.665030 2987.908       161.6522 3138.135       310.1081 2931.855       189.4241 324.2159 16.36192 315.0673 10.26506 9.148651       19.31538 
1 1 1 8   31 7  o 339.6746 8.949227 3401.789       178.1233 3305.155       315.3441 3447.068       215.8570 332.7605 16.20730 341.5105 10.79088 -8.750031      19.47100 
1 1 1 8   31 8  o 257.5898 10.28819 1961.306       155.1114 2361.148       299.0869 1814.197       181.4153 280.3589 18.28984 247.2393 12.55248 33.11961       22.18295 
1 1 1 8   31 9  o 218.8858 10.01395 1416.625       128.2099 1592.802       280.4670 1370.085       144.1532 229.0051 21.12047 214.9735 11.47534 14.03162       24.03659 
1 1 1 8   31 10 o 153.4279 12.30016 701.3829       109.7527 739.8867       255.4834 692.6690       121.5389 152.3125 29.66780 152.1620 13.76826 0.1505127      32.70694 
1 1 1 8   31 11 o 269.4383 9.937251 2145.993       156.7587 2061.079       259.4246 2194.828       196.7375 262.0410 16.97203 271.8973 12.37003 -9.856262      21.00161 
1 1 1 8   31 12 f 147.0784 25.52402 680.1656       212.1850 771.0046       234.8993 277.4364       494.5976 156.4047 26.55712 114.0240 46.61934 42.38069       53.65299 
1 1 1 8   31 13 o 149.0406 25.43779 698.8702       214.3748 617.2484       235.4112 1095.309       518.8147 138.2274 29.90922 175.0677 48.74098 -36.84030      57.18605 
1 1 1 8   31 14 o 182.8899 22.52365 1032.567       236.4925 1102.602       263.8126 745.9947       533.6466 188.2523 24.47365 146.2294 50.83921 42.02296       56.42326 
1 1 1 8   31 15 o 109.0607 33.95143 385.3194       240.3128 412.4258       278.1308 305.4784       477.3383 112.8358 36.68911 113.5944 46.03844 -0.7586060     58.86958 
1 1 1 8   31 16 o 156.3686 26.14440 774.3760       231.3030 754.3771       267.7799 833.1489       459.0537 152.1311 31.06469 152.7669 46.81619 -0.6357422     56.18515 
1 1 1 8   31 17 o 251.1295 16.08891 1897.880       235.7134 1974.105       280.6457 1715.342       434.2980 254.9189 18.90638 229.4755 33.23672 25.44345       38.23782 
1 1 1 8   31 18 o 50.87373 24.42444 -277.2677      211.2788 -431.0821      245.2198 165.8757       416.2260 50.56838 24.74275 99.74149 41.93772 -49.17311      48.69267 
1 1 1 8   31 19 o 167.7261 23.87708 885.5530       228.2470 831.3625       262.7063 1052.426       461.0010 159.8891 29.08686 169.6488 45.42949 -9.759689      53.94333 
1 1 1 8   31 20 o 76.63431 30.55414 123.6059       206.6016 157.7801       245.6889 41.09485       381.7620 83.74850 33.34278 88.45616 38.70088 -4.707657      51.08326 
1 1 1 8   31 21 o 119.2979 29.22222 476.0952       202.8092 304.0908       230.7965 1059.082       424.9020 97.09654 33.44992 169.4215 42.76577 -72.32494      54.29372 
1 1 1 8   31 22 o 208.3858 16.94940 1330.622       205.3571 1429.720       233.8960 997.2478       428.9994 215.0478 18.73219 161.0327 44.12513 54.01503       47.93664 
1 1 1 8   31 23 o 152.0295 21.86863 737.9990       189.3816 743.6226       208.9803 712.1651       447.9104 151.1729 24.40192 132.7140 46.54700 18.45882       52.55547 
1 1 1 8   31 24 o 56.97461 25.99198 -76.64375      192.5152 -132.2754      211.1995 196.6934       468.1460 56.55462 26.30524 97.89517 42.84284 -41.34056      50.27399 
1 1 1 8   31 25 o 79.03815 29.71531 186.4994       186.9519 237.8339       206.2063 -50.51427      443.0815 85.89981 31.40759 84.24714 38.80266 1.652672       49.92077 
1 1 1 8   31 26 o 57.20066 26.05923 -65.67428      192.6645 8.420860       219.1172 -318.1713      404.4918 65.81222 29.03826 70.79617 33.93798 -4.983948      44.66550 
1 1 1 8   31 27 o 61.93991 27.76610 -23.98483      208.5756 -153.2810      234.8340 459.1188       453.9293 58.06623 27.24566 108.3465 44.52044 -50.28027      52.19574 
1 1 1 8   31 28 o 94.13781 30.61782 320.3713       193.6899 211.6561       213.5420 824.8658       460.0090 81.77768 31.51383 131.6095 47.07378 -49.83180      56.64859 
1 1 1 8   31 29 o 63.98471 27.01015 69.07230       173.7496 9.728986       188.7188 399.2534       445.1490 60.88296 26.90230 101.0761 42.97462 -40.19318      50.70061 
1 1 1 8   31 30 o 76.53088 29.13499 187.8445       181.0395 201.5222       202.0678 132.1986       407.5749 79.02862 30.60157 85.25742 38.46509 -6.228806      49.15302 
1 1 1 8   31 31 o 51.80319 24.15580 -100.1481      179.8742 -148.4251      193.0678 217.2994       495.0804 51.16660 24.21985 91.22128 41.64075 -40.05468      48.17212 
1 1 1 8   31 32 o 67.63288 28.85065 91.38909       201.7912 80.74989       219.8230 148.3738       508.7422 68.40289 29.65378 87.60293 40.77375 -19.20004      50.41672 
1 1 1 8   31 33 o 92.02152 31.05255 331.2362       198.7261 379.1319       219.0284 108.2184       472.6312 96.93129 32.59984 83.72326 39.07850 13.20803       50.89085 
1 1 1 8   31 34 o 107.2210 28.91189 440.0042       185.9277 503.5023       212.2947 230.9485       385.2034 112.7552 31.09760 85.21956 38.00031 27.53561       49.10279 
1 1 1 8   31 35 o 71.17601 30.10652 136.7360       216.5840 161.2534       248.8735 60.21402       439.6779 74.92653 32.00324 79.03084 37.14505 -4.104309      49.03022 
1 1 1 8   31 36 o 87.36290 32.86782 312.8630       228.8098 317.8785       267.2945 299.1097       442.6232 87.41090 34.78547 87.77826 39.79620 -0.3673630     52.85609 
1 1 1 8   31 37 o 112.0153 34.97399 556.4620       254.8055 801.4750       332.8708 209.7166       395.9920 127.7818 39.98569 82.21666 37.41858 45.56519       54.76318 
1 1 1 8   32 0  o 411.9737 11.97822 5025.425       289.1018 5418.889       417.2720 4662.193       400.9213 425.8715 16.73928 394.6927 17.36255 31.17880       24.11766 
1 1 1 8   32 1  o 228.5766 10.02498 1544.583       134.0629 1987.204       312.4885 1444.740       148.4151 256.0432 20.99412 220.7650 11.50265 35.27818       23.93876 
1 1 1 8   32 2  f 147.4669 12.31402 648.0798       105.5276 637.2761       268.5866 650.0521       114.7561 140.0916 33.20112 147.4735 13.41484 -7.381897      35.80883 
1 1 1 8   32 3  o 237.6279 11.21834 1672.580       155.9010 0.000000       0.000000 1672.580       155.9010 ?        ?        237.6279 11.21834 0.000000       11.21834 
1 1 1 8   32 4  o 277.9744 10.55506 2285.164       171.7617 0.000000       0.000000 2285.164       171.7617 ?        ?        277.9744 10.55506 0.000000       10.55506 
1 1 1 8   32 5  o 270.3412 9.061374 2156.924       143.4639 2797.046       311.6913 1984.859       161.5992 305.3586 17.47760 258.9992 10.66154 46.35941       20.47278 
1 1 1 8   32 6  o 173.3739 10.55643 891.1636       106.8288 1193.202       264.5664 832.3243       116.7716 196.9590 23.35808 167.2628 11.98324 29.69620       26.25258 
1 1 1 8   32 7  o 86.53113 16.79751 231.0748       82.17017 264.7690       257.6188 227.2586       86.69860 97.02573 35.16038 85.58434 17.85156 11.44138       39.43261 
1 1 1 8   32 8  o 354.8229 10.70372 3725.212       222.4846 3989.920       349.5753 3544.989       288.4449 365.0618 16.36930 344.9160 14.29028 20.14578       21.72938 
1 1 1 8   32 9  o 107.2702 32.45704 369.8026       221.5839 175.9969       253.2314 1003.057       457.7448 87.75552 34.18019 169.5065 45.21386 -81.75097      56.67961 
1 1 1 8   32 10 o 50.25824 19.43921 50.91307       81.47114 61.42821       245.6583 49.61361       86.35864 77.00693 32.28841 51.00946 19.93373 25.99747       37.94595 
1 1 1 8   32 11 o 137.5637 12.73008 566.4957       101.5389 489.3482       238.4793 583.5782       112.2189 122.0325 32.67305 139.3671 13.91535 -17.33459      35.51289 
1 1 1 8   32 12 o 278.7355 15.09882 2326.256       245.9016 2338.904       280.0692 2283.699       513.7343 278.6352 17.22292 265.6977 33.72752 12.93750       37.87050 
1 1 1 8   32 13 o 75.10579 30.78448 85.56009       216.3439 194.5542       240.5686 -375.3357      494.6964 87.92795 33.55832 83.47701 39.28648 4.450935       51.66806 
1 1 1 8   32 14 o 303.8973 15.08788 2766.920       268.0683 2691.734       307.3580 3005.901       547.9692 298.5758 17.63100 306.8094 30.87276 -8.233612      35.55249 
1 1 1 8   32 15 o 111.4808 33.59857 409.3193       237.7775 640.2916       278.3687 -213.9818      457.2874 138.1763 34.46713 85.21327 39.30950 52.96306       52.28020 
1 1 1 8   32 16 o 262.7443 16.83624 2085.781       258.0701 2281.949       310.7654 1649.922       463.2240 273.5184 19.50087 221.5941 36.94360 51.92424       41.77456 
1 1 1 8   32 17 o 176.1203 24.38441 978.1740       245.1183 849.4138       283.4204 1360.324       488.2665 160.4408 31.24477 194.7869 43.80663 -34.34608      53.80759 
1 1 1 8   32 18 f 287.9088 14.81238 2494.119       249.2687 2418.762       294.0914 2686.371       469.7396 281.8857 17.88147 289.6981 27.99625 -7.812439      33.21952 
1 1 1 8   32 19 o 71.57941 29.75371 74.06519       205.9455 63.93268       234.1902 108.6351       432.5729 74.14656 31.33189 95.43477 41.48355 -21.28821      51.98627 
1 1 1 8   32 20 f 269.4031 13.96889 2188.761       219.9526 2120.227       252.8978 2401.600       445.6731 263.7509 16.43096 270.9612 28.46999 -7.210266      32.87122 
1 1 1 8   32 21 o 54.71284 25.28864 -114.2365      190.5943 -113.1825      214.2725 -118.2301      417.1050 58.51960 26.96414 81.48703 37.57339 -22.96743      46.24743 
1 1 1 8   32 22 o 238.2900 15.54227 1736.733       216.0202 1704.483       243.2047 1857.285       470.2112 234.5580 17.81273 227.1460 36.53579 7.411987       40.64674 
1 1 1 8   32 23 o 111.7853 29.02415 434.8877       191.9386 528.0137       210.0982 -35.03205      471.9527 123.1061 29.48823 87.22509 40.12798 35.88100       49.79770 
1 1 1 8   32 24 o 128.3118 26.49524 559.8701       192.7746 456.9431       210.8144 1085.231       476.2822 112.9978 30.91951 156.8712 47.61049 -43.87341      56.76949 
1 1 1 8   32 25 o 140.1610 25.41890 661.7700       201.2539 679.6280       221.0269 575.1440       486.8028 140.3252 27.84018 116.3347 46.72471 23.99052       54.39002 
1 1 1 8   32 26 f 73.24943 29.69277 132.6885       198.6011 69.10949       227.5139 336.2333       407.0814 70.58610 30.38195 99.22152 41.58106 -28.63542      51.49803 
1 1 1 8   32 27 o 121.5854 29.03432 531.8872       204.1734 438.9543       226.3123 938.3786       473.3138 107.5715 32.85337 138.3956 47.89196 -30.82405      58.07740 
1 1 1 8   32 28 o 63.52817 27.84282 30.66948       198.3579 153.8349       222.1957 -452.7246      440.1917 75.86874 31.15873 67.83007 33.18069 8.038673       45.51730 
1 1 1 8   32 29 o 58.88574 26.13405 3.142064       180.0133 68.09695       196.1051 -344.6271      453.7624 65.92877 28.28958 71.13124 34.54720 -5.202469      44.65209 
1 1 1 8   32 30 o 115.3266 27.44979 482.7547       182.9677 656.4194       201.6621 -325.7919      435.1320 136.2599 26.18636 69.63345 33.82224 66.62644       42.77464 
1 1 1 8   32 31 o 92.33607 31.46888 331.2775       204.1312 201.4906       223.9066 970.1885       496.7888 78.57677 31.64359 129.6673 48.50421 -51.09048      57.91351 
1 1 1 8   32 32 o 59.40944 26.77409 -4.554303      196.8497 -65.02019      223.5602 204.0996       415.2910 58.87839 27.27508 85.33376 38.63195 -26.45536      47.29014 
1 1 1 8   32 33 o 61.12163 27.72939 -6.685269      215.3351 13.58300       250.4356 -64.17108      421.7626 65.79244 29.87042 74.56568 35.44126 -8.773239      46.35003 
1 1 1 8   32 34 o 71.58080 29.86617 148.4095       208.6364 72.52084       247.2710 335.9535       388.7196 68.60618 30.52819 89.60066 39.13000 -20.99448      49.62991 
1 1 1 8   32 35 o 91.55218 33.14620 353.3066       228.8799 437.8129       274.4414 160.2605       414.7968 98.08870 36.17155 81.10773 37.42384 16.98097       52.04733 
1 1 1 8   32 36 o 56.33844 27.03912 -181.1168      258.4536 -8.018630      322.0423 -494.3574      433.2173 69.01267 32.22720 62.44150 30.98562 6.571175       44.70684 
1 1 1 8   33 0  o 312.4296 13.93407 2908.462       254.6752 2874.601       334.0832 2955.438       393.4962 308.7310 18.53654 311.4915 21.67513 -2.760498      28.52042 
1 1 1 8   33 1  o 104.3108 16.18634 332.3643       95.81380 241.4191       286.1767 343.8459       101.6822 96.55936 36.66109 105.9459 16.93476 -9.386566      40.38344 
1 1 1 8   33 2  o 53.27364 20.13878 63.73692       86.13283 115.8934       264.5448 57.55229       91.09655 83.66719 34.13778 53.17258 20.55844 30.49461       39.85019 
1 1 1 8   33 3  f 88.55193 18.67301 244.2677       93.91719 461.7721       260.7289 211.8385       100.6754 118.6687 35.04446 82.12215 20.86466 36.54655       40.78539 
1 1 1 8   33 4  o 102.9801 16.09527 324.1145       94.02832 261.7085       260.5026 333.4630       100.8254 96.53750 35.30056 104.2351 17.08458 -7.697624      39.21750 
1 1 1 8   33 5  o 353.4634 10.69570 3698.763       221.4645 0.000000       0.000000 3698.763       221.4645 ?        ?        353.4634 10.69570 0.000000       10.69570 
1 1 1 8   33 6  o 263.7113 9.461727 2055.959       146.0983 2159.343       295.1386 2022.403       168.1448 267.0637 18.96688 261.1749 11.00210 5.888855       21.92690 
1 1 1 8   33 7  o 341.1261 9.171928 3437.319       183.3293 3685.084       338.1864 3334.208       218.1668 350.4028 16.50289 335.3979 11.10650 15.00488       19.89220 
1 1 1 8   33 8  o 115.7866 13.74930 404.4056       91.54538 798.2173       262.7056 349.9745       97.66722 157.4760 29.52944 107.0388 16.05252 50.43721       33.61059 
1 1 1 8   33 9  o 136.0824 13.04993 555.4209       102.8755 674.3381       250.4015 531.2728       112.8383 143.9055 30.61142 132.6513 14.75355 11.25418       33.98126 
1 1 1 8   33 10 f 247.5085 9.875360 1813.854       143.0609 1572.532       253.4788 1926.654       173.3003 227.3651 19.18830 254.6302 11.63559 -27.26512      22.44054 
1 1 1 8   33 11 o 84.92802 19.38882 226.5225       94.44112 62.34096       235.3985 258.0186       103.1026 75.39507 31.60940 90.61272 19.94297 -15.21766      37.37481 
1 1 1 8   33 12 o 40.91339 20.48142 -555.0691      207.6465 -511.7416      238.6098 -690.2706      421.4997 47.07962 23.29753 66.25214 32.42143 -19.17252      39.92398 
1 1 1 8   33 13 o 131.6522 30.46401 570.4911       230.5488 707.2941       265.8665 155.7446       462.9215 146.2557 31.89619 102.6140 43.73291 43.64165       54.12886 
1 1 1 8   33 14 o 258.3105 17.28234 2021.587       260.3091 2254.209       301.4671 1339.856       516.0839 271.9188 19.02386 191.5202 46.43357 80.39861       50.17952 
1 1 1 8   33 15 o 247.5065 18.68959 1870.381       269.2874 1962.657       314.6876 1617.991       520.4390 251.9886 21.49869 213.0841 43.12745 38.90453       48.18891 
1 1 1 8   33 16 o 118.8528 33.27668 480.2314       241.0975 352.6529       283.8069 811.0267       456.9974 104.6234 37.02122 146.7090 46.97080 -42.08560      59.80658 
1 1 1 8   33 17 o 61.19641 28.13413 -122.4765      231.4369 -152.5025      264.5144 -24.43910      477.9653 64.31287 29.74904 92.34819 41.66020 -28.03532      51.19158 
1 1 1 8   33 18 o 66.99751 29.54416 -12.52413      226.5089 -50.49926      258.8728 111.5054       467.8423 68.77348 30.87316 96.70669 42.55959 -27.93321      52.57823 
1 1 1 8   33 19 o 66.51217 28.39486 39.98387       195.7388 -54.56398      223.8498 347.1017       403.4442 63.48024 28.58501 105.6346 42.49845 -42.15437      51.21739 
1 1 1 8   33 20 o 93.80973 30.02193 299.2375       186.7105 165.1612       207.5509 868.0891       427.5118 78.91949 30.88461 145.6960 45.27235 -66.77648      54.80370 
1 1 1 8   33 21 o 131.4531 25.90527 579.0955       192.6095 608.7606       213.4188 448.8431       447.2013 133.4070 28.16300 110.8857 44.69712 22.52129       52.82979 
1 1 1 8   33 22 o 101.0340 30.16616 360.3113       192.3481 458.7747       210.6830 -132.6749      471.4217 113.3944 30.86158 82.89989 38.80318 30.49446       49.57947 
1 1 1 8   33 23 f 87.15673 30.54143 257.2513       192.8073 386.3311       210.6733 -408.4142      478.4191 103.3687 31.72231 74.32215 35.94850 29.04659       47.94371 
1 1 1 8   33 24 o 156.5077 22.32400 801.7959       199.1069 718.5968       217.6985 1227.434       492.3981 145.0101 26.57715 164.3479 48.05929 -19.33784      54.91848 
1 1 1 8   33 25 o 120.2612 29.43737 520.3269       205.9163 558.7760       226.6616 338.6566       492.6932 123.2617 31.30131 100.6976 44.01319 22.56413       54.00864 
1 1 1 8   33 26 o 100.7694 30.84289 378.1565       199.3212 403.5879       222.1176 272.9899       451.6861 102.8758 32.72558 94.68074 41.73729 8.195030       53.03739 
1 1 1 8   33 27 o 67.41724 28.81200 76.70635       201.9186 45.83981       231.6658 174.2772       411.8870 68.07729 29.95483 87.53963 39.14666 -19.46234      49.29253 
1 1 1 8   33 28 o 61.60077 27.10261 24.83250       189.6087 146.2404       208.8467 -544.5758      452.2891 73.61324 30.21771 65.89613 32.50994 7.717110       44.38475 
1 1 1 8   33 29 o 49.24849 23.25457 -131.1578      175.9464 -163.2593      190.4072 56.42640       460.2766 49.82397 23.71884 82.79371 38.61802 -32.96973      45.32035 
1 1 1 8   33 30 o 79.49519 30.12927 222.9013       193.0818 272.8911       216.4402 28.07575       427.2870 85.26821 31.99092 79.26417 37.04952 6.004044       48.94983 
1 1 1 8   33 31 o 65.28288 28.47022 66.71156       205.1594 -115.0797      228.8310 811.5261       463.1828 56.80434 26.72928 118.6506 46.22290 -61.84630      53.39486 
1 1 1 8   33 32 f 76.01984 31.02021 188.1181       218.4560 268.8910       261.0819 -0.4624369     398.9259 84.27332 34.08692 75.38469 35.41576 8.888626       49.15480 
1 1 1 8   33 33 o 66.57523 28.91312 87.53630       209.7464 61.19707       236.7277 183.7271       452.3914 66.92309 29.81907 83.59535 38.75090 -16.67226      48.89590 
1 1 1 8   33 34 o 79.14451 32.39493 227.1811       239.1546 191.2502       270.9855 353.7382       508.5755 77.39934 33.23391 90.31129 41.58700 -12.91196      53.23506 
1 1 1 8   33 35 o 53.65986 26.18798 -287.1796      269.5886 -705.9465      324.3324 648.8976       484.9087 49.05195 24.69672 102.6319 44.26654 -53.57991      50.68979 
1 1 1 8   34 0  o 39.42228 17.83365 -45.18018      88.30106 -218.4662      288.2939 -27.24084      92.75918 65.61575 30.59147 42.42294 18.79742 23.19280       35.90517 
1 1 1 8   34 1  o 150.9203 12.47956 680.9034       109.4716 1222.657       301.3576 598.5465       117.4982 196.9823 26.77858 140.9705 14.41462 56.01184       30.41173 
1 1 1 8   34 2  o 151.2301 12.67075 684.1104       111.3483 915.8370       292.0210 644.6875       120.4482 168.1931 30.73660 146.4039 14.20641 21.78926       33.86090 
1 1 1 8   34 3  o 249.3492 11.51189 1847.105       167.8926 0.000000       0.000000 1847.105       167.8926 ?        ?        249.3492 11.51189 0.000000       11.51189 
1 1 1 8   34 4  o 174.6753 12.54000 910.9704       127.6086 0.000000       0.000000 910.9704       127.6086 ?        ?        174.6753 12.54000 0.000000       12.54000 
1 1 1 8   34 5  f 34.82034 16.23446 -73.25928      81.20092 292.8642       279.8763 -106.9109      84.85062 100.2425 36.59998 33.17944 15.80597 67.06304       39.86712 
1 1 1 8   34 6  o 81.77189 19.20881 209.9952       90.54406 680.5671       268.2735 149.5011       96.18807 143.4940 32.61974 69.82614 21.43603 73.66783       39.03268 
1 1 1 8   34 7  o 89.09578 17.21860 246.3076       86.71563 -190.7692      274.1743 294.8893       91.40795 64.79671 30.08174 97.88239 16.50991 -33.08567      34.31454 
1 1 1 8   34 8  o 283.4373 10.56978 2382.279       175.3930 2313.863       285.5539 2423.727       222.2598 276.5772 17.69725 284.9637 13.33605 -8.386475      22.15949 
1 1 1 8   34 9  o 192.9156 11.47263 1108.141       129.2156 1179.856       255.1059 1083.392       149.8622 194.9272 22.74177 190.1807 13.52440 4.746490       26.45936 
1 1 1 8   34 10 o 226.6396 17.73668 1559.465       233.8772 1936.249       284.5955 775.7149       410.4599 251.8544 19.41743 147.1245 44.09953 104.7299       48.18512 
1 1 1 8   34 11 o 188.4041 11.21539 1057.356       123.3632 1384.125       270.2924 971.3780       138.6460 211.2291 22.14769 180.0007 13.22591 31.22847       25.79621 
1 1 1 8   34 12 o 254.7033 16.30795 1961.831       242.3243 2192.886       291.4511 1444.425       436.1379 268.1122 18.65155 205.4697 37.57740 62.64250       41.95165 
1 1 1 8   34 13 o 288.1065 15.61629 2505.304       262.8785 2705.843       312.6104 2021.089       485.7609 298.0935 17.96473 245.4774 34.70831 52.61618       39.08194 
1 1 1 8   34 14 o 92.24574 32.97320 261.2878       225.6622 182.6071       255.5480 539.8914       480.8744 86.42225 34.13342 124.5602 47.46829 -38.13792      58.46648 
1 1 1 8   34 15 o 85.42122 32.59013 201.0420       226.8362 315.1529       258.1512 -185.5641      475.1657 98.86167 35.27496 85.21968 39.57624 13.64199       53.01511 
1 1 1 8   34 16 o 68.46551 29.62375 24.29021       218.5261 -13.76860      254.4831 131.1484       426.4178 70.33501 31.15162 94.51514 41.13438 -24.18014      51.59904 
1 1 1 8   34 17 o 157.3104 25.13811 808.0145       224.1180 881.9326       257.6501 578.1851       454.3154 162.5611 28.03736 122.5572 46.26909 40.00391       54.10104 
1 1 1 8   34 18 o 95.27435 32.68237 309.0724       220.2548 416.7406       249.9370 -65.18242      465.9833 107.7872 34.75835 86.49700 39.82222 21.29022       52.85785 
1 1 1 8   34 19 o 102.2431 31.07922 368.2256       202.8470 457.3588       228.2879 33.85161       442.1598 112.7772 32.65037 88.15542 39.89037 24.62177       51.54889 
1 1 1 8   34 20 o 286.8369 13.76666 2501.642       230.9109 2625.355       262.4469 2077.670       485.8496 292.6051 15.34723 238.7149 35.80653 53.89024       38.95696 
1 1 1 8   34 21 o 46.16008 22.43145 -277.4415      192.0034 -224.4921      209.7394 -551.3952      477.0764 51.26023 24.53694 70.62574 34.54711 -19.36551      42.37410 
1 1 1 8   34 22 o 80.46396 30.55225 200.1239       198.7598 319.5106       216.8799 -426.1100      496.7175 94.58714 32.43151 74.85361 36.30614 19.73353       48.68202 
1 1 1 8   34 23 o 84.17329 30.75164 238.0430       197.6236 229.8192       215.4068 281.7707       496.7088 83.92062 31.81959 98.49394 43.57731 -14.57333      53.95802 
1 1 1 8   34 24 o 84.79342 30.61863 249.0914       195.1424 275.3525       212.8671 110.8097       488.4665 88.13210 31.95760 89.50913 41.04786 -1.377029      52.02129 
1 1 1 8   34 25 o 163.9124 21.32179 885.0142       200.1148 802.6907       217.0945 1350.386       516.1630 152.9530 25.06909 163.9421 49.52304 -10.98903      55.50667 
1 1 1 8   34 26 o 67.25349 28.80095 76.35493       202.5165 121.7361       226.7406 -102.6364      450.3056 73.07529 30.85184 78.07950 36.96792 -5.004204      48.15042 
1 1 1 8   34 27 o 60.33978 27.09558 -7.263110      199.5693 -27.79163      223.0676 75.06336       446.7119 61.81264 28.11354 83.46893 38.62756 -21.65630      47.77509 
1 1 1 8   34 28 o 94.53217 32.60664 352.9959       219.3300 531.3151       246.9069 -314.1840      477.5905 113.8939 34.21779 72.12196 35.12223 41.77189       49.03497 
1 1 1 8   34 29 o 84.75795 31.13818 270.8288       203.0604 268.6721       223.8118 280.8676       482.8752 84.61955 32.35061 90.72283 41.30166 -6.103279      52.46321 
1 1 1 8   34 30 o 44.48315 21.82710 -295.8479      195.0114 -195.4355      217.8932 -700.0196      437.1526 51.67840 24.80895 59.88564 29.94002 -8.207233      38.88301 
1 1 1 8   34 31 o 67.98520 29.87016 80.24962       229.5777 -2.226046      258.7312 385.6001       497.8348 65.39162 29.94540 93.26502 42.25247 -27.87341      51.78801 
1 1 1 8   34 32 o 48.32406 23.49948 -247.5679      211.7195 -85.65829      243.2155 -754.0798      430.1796 59.15317 27.74674 57.64252 28.94390 1.510647       40.09528 
1 1 1 8   34 33 o 78.34477 31.94762 221.1330       231.5263 269.1463       261.0598 44.21821       501.1198 82.95899 33.88815 79.71834 38.09618 3.240654       50.98750 
1 1 1 8   34 34 o 58.05505 27.73480 -150.5656      265.1512 -104.7616      316.2631 -258.9289      486.4499 64.36432 30.62035 70.47825 34.56013 -6.113930      46.17367 
1 1 1 8   35 0  o 85.57786 20.71890 231.6523       102.8632 368.9099       288.8262 211.7139       110.0810 107.7509 37.40504 81.76421 22.33058 25.98669       43.56366 
1 1 1 8   35 1  o 34.69557 16.43370 -102.1959      89.15707 -298.5071      279.7775 -80.00694      94.06091 60.65442 28.83962 37.75851 17.56002 22.89591       33.76505 
1 1 1 8   35 2  f 93.28380 18.52253 271.7230       97.75954 464.2870       277.3299 244.4003       104.4651 117.7030 36.44524 87.91840 20.61918 29.78460       41.87369 
1 1 1 8   35 3  o 194.9496 12.51511 1135.113       142.3336 0.000000       0.000000 1135.113       142.3336 ?        ?        194.9496 12.51511 0.000000       12.51511 
1 1 1 8   35 4  o 206.7501 11.95089 1274.382       144.2918 0.000000       0.000000 1274.382       144.2918 ?        ?        206.7501 11.95089 0.000000       11.95089 
1 1 1 8   35 5  f 57.39669 21.04300 83.59233       92.66166 94.53616       267.5648 82.10092       98.77396 81.22971 33.85157 58.05217 21.64541 23.17754       40.18025 
1 1 1 8   35 6  o 135.5807 13.20949 553.1632       103.7048 778.4586       267.0155 513.1422       112.5394 153.8379 30.67191 130.0435 15.03233 23.79436       34.15753 
1 1 1 8   35 7  o 243.5012 19.50899 1815.478       276.2744 1815.478       276.2744 0.000000       0.000000 243.5012 19.50899 ?        ?        0.000000       19.50899 
1 1 1 8   35 8  f 81.56972 20.60651 211.3327       98.59570 7.719629       249.2810 249.0921       107.3493 72.36986 31.47416 88.48389 21.00281 -16.11403      37.83835 
1 1 1 8   35 9  o 109.1491 16.12600 366.1263       100.1239 181.8363       267.3374 396.1935       107.9831 87.75558 34.83184 113.4361 16.73319 -25.68057      38.64268 
1 1 1 8   35 10 o 75.40324 20.36868 180.4073       92.18279 -2.329048      261.4249 206.3548       98.51031 72.90154 31.95712 80.47031 20.74228 -7.568764      38.09856 
1 1 1 8   35 11 o 228.0272 10.20860 1546.565       136.1761 1549.083       271.7772 1545.721       157.3538 223.2381 21.00527 227.4138 11.83880 -4.175735      24.11179 
1 1 1 8   35 12 f 77.35514 32.22885 96.78912       242.4393 96.78912       242.4393 0.000000       0.000000 77.35514 32.22885 ?        ?        0.000000       32.22885 
1 1 1 8   35 13 f 72.85470 30.34012 83.69190       214.7156 119.2276       253.1941 -7.301910      405.1603 79.84615 33.07278 86.02179 38.61920 -6.175636      50.84537 
1 1 1 8   35 14 o 95.65388 32.17156 306.6710       213.3112 524.8956       245.5032 -365.6019      430.9016 121.9402 33.36659 73.88243 35.31251 48.05774       48.58294 
1 1 1 8   35 15 o 130.6249 28.95599 582.8301       215.9998 486.5887       247.7503 887.7832       441.0116 116.4395 34.10110 147.0313 46.02707 -30.59175      57.28330 
1 1 1 8   35 16 o 68.28760 29.08758 55.16942       204.5934 -58.22047      238.5121 370.9692       398.0422 64.62747 29.26552 105.0885 42.23586 -40.46098      51.38422 
1 1 1 8   35 17 o 123.4431 29.13170 529.7767       207.4824 513.0902       235.7482 587.1141       437.0029 119.1765 32.73178 119.9725 45.35981 -0.7960281     55.93641 
1 1 1 8   35 18 o 88.31027 30.98070 262.9922       198.4302 248.0730       222.0175 322.2263       442.3846 87.38533 32.47707 101.6591 43.01534 -14.27381      53.89880 
1 1 1 8   35 19 o 205.9266 17.08893 1321.512       204.5278 1162.821       229.4547 1935.156       451.2108 190.3604 20.89584 230.8598 34.37239 -40.49942      40.22558 
1 1 1 8   35 20 o 56.42300 25.71951 -63.39534      188.0123 -75.97222      207.3531 -5.255556      445.8210 58.45863 26.78446 84.68215 38.97379 -26.22352      47.29020 
1 1 1 8   35 21 o 126.5158 26.27936 551.9987       188.6088 514.0105       205.7536 751.8679       471.9500 119.6517 29.50854 126.1857 47.26088 -6.533928      55.71665 
1 1 1 8   35 22 o 71.43506 28.81000 130.9454       185.9004 94.90906       202.9834 318.4079       462.9646 69.65210 29.28649 98.07117 42.76872 -28.41908      51.83495 
1 1 1 8   35 23 o 55.76899 25.59111 -66.22773      190.2649 47.56169       207.9399 -651.4932      471.5886 65.88577 28.69891 65.81991 32.60360 0.6585693E-01  43.43526 
1 1 1 8   35 24 o 56.26713 25.92636 -73.26338      198.0989 38.76359       215.0087 -702.6009      509.6085 65.74329 28.89528 67.28774 33.42729 -1.544449      44.18507 
1 1 1 8   35 25 o 85.29041 31.64798 263.0952       210.6699 298.5447       230.4635 82.90895       519.5861 89.25082 33.10439 87.11710 40.76420 2.133728       52.51305 
1 1 1 8   35 26 o 56.70719 26.52922 -107.5279      219.8757 -73.48839      249.9644 -223.9365      462.2523 62.00264 28.76336 73.84013 35.62188 -11.83749      45.78482 
1 1 1 8   35 27 o 146.2304 26.34871 764.8788       217.6580 654.3702       242.4683 1223.480       493.9403 129.0003 32.16194 148.3093 48.93266 -19.30901      58.55592 
1 1 1 8   35 28 o 55.51357 25.86753 -85.00679      205.6838 39.47364       228.6237 -613.5892      471.1151 65.57121 29.25474 64.14262 31.91064 1.428581       43.29121 
1 1 1 8   35 29 o 84.69065 32.51241 277.1044       226.6857 311.7306       256.4323 153.2921       484.8994 88.00349 34.36146 84.54136 39.50049 3.462135       52.35455 
1 1 1 8   35 30 o 63.54720 27.97156 54.84764       202.1724 35.61422       226.8604 129.0683       445.6488 64.52517 28.93877 81.55164 38.02562 -17.02647      47.78494 
1 1 1 8   35 31 o 48.05246 23.45057 -269.1775      216.1216 -127.0996      244.7581 -771.9996      460.4485 57.30050 27.16646 59.43740 29.85879 -2.136894      40.36786 
1 1 1 8   35 32 o 102.3028 34.39725 462.0136       243.8476 543.2192       303.6569 314.5564       409.1884 105.7185 38.19189 87.40327 39.05671 18.31523       54.62643 
1 1 1 8   36 0  o 239.8994 10.60056 1711.427       148.7766 1666.846       310.9062 1724.668       169.4352 230.7548 23.29202 240.3385 12.05923 -9.583679      26.22867 
1 1 1 8   36 1  o 94.15395 19.48429 279.6895       104.0413 379.7943       286.2884 264.4568       111.6770 107.5279 37.24503 91.04034 21.29708 16.48754       42.90405 
1 1 1 8   36 2  o 47.66063 19.91068 18.99911       92.89813 -128.3893      279.7145 37.27189       98.48854 67.95074 31.12433 51.24119 20.85871 16.70955       37.46745 
1 1 1 8   36 3  o 112.0388 16.25902 385.9557       103.7176 524.1022       266.1100 361.2111       112.6241 123.3792 35.10553 107.6051 18.51385 15.77406       39.68829 
1 1 1 8   36 4  o 51.86415 20.98856 41.30857       99.04040 111.9941       257.6638 29.05453       107.2823 80.79662 33.40532 51.87584 21.51142 28.92077       39.73232 
1 1 1 8   36 5  o 368.2052 10.92824 4033.468       235.7272 4692.612       373.2368 3596.071       304.0408 393.8468 16.19324 345.4291 15.04406 48.41769       22.10305 
1 1 1 8   36 6  o 143.6316 14.16030 624.8206       117.7317 75.28454       253.2826 776.2777       132.9695 77.20721 32.60255 160.1856 14.30432 -82.97838      35.60252 
1 1 1 8   36 7  o 59.09346 21.12265 95.57015       92.60447 -395.7507      259.1009 167.5225       99.15369 53.27658 25.92788 72.79308 21.64031 -19.51650      33.77215 
1 1 1 8   36 8  o 132.6954 13.87598 534.4340       106.3922 366.3065       237.6525 576.5754       118.9810 103.9537 33.92222 137.5004 14.99728 -33.54671      37.08956 
1 1 1 8   36 9  o 129.5383 13.34612 508.8362       99.94250 605.2468       244.3875 489.4743       109.5193 132.5686 31.83499 126.4599 15.06252 6.108742       35.21855 
1 1 1 8   36 10 o 68.42238 20.38071 148.1837       87.87938 -9.928946      246.9606 171.1074       94.03436 69.50827 30.74133 73.10381 20.89058 -3.595535      37.16781 
1 1 1 8   36 11 o 91.26204 17.86324 263.5952       92.18529 252.7577       240.1604 265.4679       99.83289 90.39717 33.74254 91.11465 19.28459 -0.7174835     38.86457 
1 1 1 8   36 12 o 180.7942 12.85968 988.2659       135.4630 0.000000       0.000000 988.2659       135.4630 ?        ?        180.7942 12.85968 0.000000       12.85968 
1 1 1 8   36 13 o 68.67738 29.35282 52.57244       209.5995 -182.8234      248.0461 640.3220       391.9486 59.28523 27.87551 126.2495 43.58662 -66.96423      51.73816 
1 1 1 8   36 14 o 70.15104 29.42131 80.69599       204.0479 -17.68009      235.5810 376.1584       408.2691 66.54945 29.69350 104.9947 42.56863 -38.44528      51.90175 
1 1 1 8   36 15 o 92.37755 31.00631 294.9004       198.1455 121.2886       223.6104 929.5659       427.5381 75.38740 31.13954 148.1143 45.14009 -72.72694      54.83884 
1 1 1 8   36 16 o 145.7406 24.96878 709.4974       205.7430 782.7365       237.3651 488.2433       412.5641 151.1084 27.80854 111.2489 43.54161 39.85947       51.66417 
1 1 1 8   36 17 o 70.10182 28.89461 102.1671       191.9823 21.72656       214.1824 430.9735       433.0285 65.96134 28.92002 106.7955 43.63754 -40.83411      52.35077 
1 1 1 8   36 18 o 52.27098 24.48716 -132.4136      188.4005 -164.1587      210.5357 -4.812706      422.0985 54.01015 25.48320 82.92374 38.07582 -28.91359      45.81660 
1 1 1 8   36 19 o 86.37968 29.77388 259.3007       182.8648 220.4032       205.6192 406.4455       399.9218 82.43412 31.12613 102.9871 41.99117 -20.55296      52.26944 
1 1 1 8   36 20 o 78.44723 29.91962 194.4027       191.1445 138.1987       211.9229 439.5930       442.6350 74.21837 30.44983 104.2728 43.50378 -30.05438      53.10152 
1 1 1 8   36 21 o 170.8125 19.78468 945.8073       194.5372 948.8362       217.5438 933.7163       434.6421 168.7963 22.53794 139.2228 45.90007 29.57346       51.13488 
1 1 1 8   36 22 o 80.61577 29.94497 221.6200       188.6996 277.2447       211.3612 3.149050       418.8787 87.39054 31.82158 80.15137 37.20048 7.239166       48.95395 
1 1 1 8   36 23 o 59.15829 26.40232 -2.050123      186.3756 8.181006       205.6711 -49.02947      440.7222 62.25065 27.76203 78.86732 37.10595 -16.61667      46.34201 
1 1 1 8   36 24 o 134.1576 26.76814 643.3055       203.2267 611.6619       223.5272 794.1616       488.0556 127.3339 30.36124 120.1563 47.25912 7.177612       56.17143 
1 1 1 8   36 25 o 131.7456 28.79849 644.4801       216.2898 588.5430       239.8872 887.5735       500.0850 121.3997 32.88549 123.4228 48.04398 -2.023056      58.22096 
1 1 1 8   36 26 f 49.24672 23.78256 -222.8903      207.3685 -105.5479      235.6797 -625.1742      436.3761 58.21714 27.30954 61.57229 30.64499 -3.355145      41.04786 
1 1 1 8   36 27 o 110.6412 33.14270 506.3877       231.8905 329.5888       261.5049 1157.037       501.6648 89.71169 34.79214 138.5146 49.20035 -48.80295      60.25917 
1 1 1 8   36 28 o 117.9782 32.00591 563.1863       227.0272 583.5254       258.5701 494.7467       474.3152 116.3564 35.02991 98.15956 43.03690 18.19682       55.49117 
1 1 1 8   36 29 o 78.07531 31.58522 217.3104       224.2078 422.5661       255.1783 -477.6559      469.5458 97.74984 35.04903 65.61134 32.50606 32.13850       47.80249 
1 1 1 8   36 30 o 50.04633 24.38005 -264.2646      230.6681 -187.1446      281.5250 -421.7931      402.3582 58.53625 28.12677 61.94582 30.58017 -3.409569      41.54831 
1 1 1 8   36 31 o 51.82588 25.14962 -240.7249      239.1305 -104.2429      291.3619 -522.3910      418.5646 62.50469 29.63566 60.72084 30.18670 1.783844       42.30259 
1 1 1 8   37 0  o 226.9558 10.39182 1535.843       137.9524 2018.342       291.7484 1396.897       156.5605 255.0518 19.65579 215.6518 12.43149 39.39996       23.25708 
1 1 1 8   37 1  o 128.1106 14.75889 501.5683       108.8651 785.6241       264.5844 443.6780       119.4443 152.1565 30.70972 119.3847 17.58571 32.77180       35.38847 
1 1 1 8   37 2  o 181.8507 11.74653 992.1842       124.6079 1466.362       267.0978 860.2710       140.8783 216.0211 21.36196 168.3058 14.41086 47.71530       25.76831 
1 1 1 8   37 3  o 147.2269 12.42945 653.7541       106.3206 1158.099       252.3706 544.9260       117.2317 190.6528 23.03726 133.3641 15.26303 57.28879       27.63468 
1 1 1 8   37 4  o 262.4524 11.47385 2061.826       176.1811 0.000000       0.000000 2061.826       176.1811 ?        ?        262.4524 11.47385 0.000000       11.47385 
1 1 1 8   37 5  o 120.6948 14.54404 446.1229       100.8768 955.6937       259.2645 355.2168       109.5058 170.3213 26.84286 106.2089 18.23701 64.11237       32.45193 
1 1 1 8   37 6  o 97.91920 18.16747 303.2026       100.4905 465.8193       243.4018 269.7888       110.3327 114.5134 33.87100 91.27283 21.04238 23.24055       39.87513 
1 1 1 8   37 7  o 32.56843 15.51327 -98.88813      81.69313 -351.5120      220.2914 -58.60688      87.96539 48.40751 23.63512 37.60033 17.30758 10.80717       29.29456 
1 1 1 8   37 8  o 58.88970 21.15782 96.93312       93.04109 71.05933       235.0634 101.7398       101.3154 73.20275 31.17973 60.63799 22.03883 12.56476       38.18227 
1 1 1 8   37 9  o 88.57917 18.08598 250.3208       90.77456 115.0276       236.3591 273.7288       98.31420 76.61533 31.86338 92.47281 18.77007 -15.85748      36.98095 
1 1 1 8   37 10 o 161.4705 13.37069 793.1144       125.4844 0.000000       0.000000 793.1144       125.4844 ?        ?        161.4705 13.37069 0.000000       13.37069 
1 1 1 8   37 11 o 52.49881 19.61763 70.21632       81.22254 262.8767       243.5320 46.10357       86.15552 90.09129 33.90563 49.41367 19.72098 40.67762       39.22383 
1 1 1 8   37 12 o 92.08080 17.63048 270.3353       91.74403 537.2971       244.5395 226.6044       98.97347 121.0515 33.37195 83.20155 20.43436 37.84995       39.13119 
1 1 1 8   37 13 o 65.68804 29.61543 -34.06797      241.1219 -34.06797      241.1219 0.000000       0.000000 65.68804 29.61543 ?        ?        0.000000       29.61543 
1 1 1 8   37 14 o 129.7774 44.59092 731.9799       410.0539 0.000000       0.000000 731.9799       410.0539 ?        ?        129.7774 44.59092 0.000000       44.59092 
1 1 1 8   37 15 o 179.7098 21.15938 1043.255       218.7413 1234.909       255.2094 512.6963       424.6235 194.2522 22.83743 111.6455 44.02918 82.60672       49.59957 
1 1 1 8   37 16 o 122.3420 28.24130 527.9271       198.5291 560.8890       236.9776 450.3404       363.5753 122.9548 32.41040 106.4037 41.08942 16.55114       52.33331 
1 1 1 8   37 17 o 111.5980 29.59895 451.6795       196.8705 472.4903       228.7759 392.2865       386.4862 111.8898 32.76942 101.3812 41.30105 10.50855       52.72202 
1 1 1 8   37 18 o 95.23219 30.19517 332.5100       189.2276 373.7601       216.8557 200.8583       387.4112 99.54984 32.39846 88.78251 38.91117 10.76733       50.63338 
1 1 1 8   37 19 o 220.7697 15.71045 1522.555       202.0838 1584.418       238.6391 1365.742       379.9397 222.7051 18.43598 187.1094 35.92910 35.59575       40.38298 
1 1 1 8   37 20 o 87.43120 30.77219 278.7863       195.8785 137.8086       226.3553 699.1276       390.8558 74.38486 31.07773 121.5642 43.40154 -47.17937      53.38089 
1 1 1 8   37 21 o 96.80261 31.38684 358.7507       203.6302 331.4716       227.4961 468.6852       456.6940 92.84755 33.11597 102.4905 43.55036 -9.642982      54.71107 
1 1 1 8   37 22 o 80.46777 30.52079 224.7528       198.2215 173.3595       222.1154 425.8113       439.3258 76.43935 31.24565 99.17395 42.44418 -22.73460      52.70483 
1 1 1 8   37 23 f 153.6272 24.25661 818.9845       211.3043 904.6901       238.6902 508.4641       454.3340 159.3288 26.47267 102.3474 43.46160 56.98137       50.88922 
1 1 1 8   37 24 o 86.97287 31.38340 290.9130       204.9679 396.8291       229.5265 -126.0967      455.4335 98.42054 33.37151 75.17936 36.03189 23.24118       49.11166 
1 1 1 8   37 25 o 77.52448 30.95384 205.7330       212.3486 309.1584       237.6515 -203.8532      472.9328 87.99844 33.40911 73.25274 35.50528 14.74570       48.75237 
1 1 1 8   37 26 o 64.30171 28.10062 63.76768       200.7655 138.5074       223.4950 -248.6298      456.9258 71.92117 30.50950 70.81158 34.45476 1.109581       46.02130 
1 1 1 8   37 27 o 62.04742 27.88164 21.25010       211.7225 -19.99263      235.7646 193.0924       481.2491 61.93945 28.44641 84.69576 39.49950 -22.75631      48.67657 
1 1 1 8   37 28 o 86.90937 33.75050 314.5241       246.3333 583.8082       298.0722 -265.5959      437.4969 110.3366 38.01368 68.15498 33.28360 42.18165       50.52562 
1 1 1 8   37 29 o 132.0543 31.96951 710.9136       244.9150 609.4233       297.7197 923.3729       430.7578 112.6084 38.00787 124.8370 45.43253 -12.22862      59.23439 
1 1 1 8   37 30 o 74.15262 30.62874 186.4910       216.3271 115.3477       269.0751 316.5225       363.7730 71.52729 31.83580 86.10681 37.72284 -14.57952      49.36122 
1 1 1 8   38 0  o 138.4985 14.20848 587.2669       113.7754 507.6628       259.1318 606.2776       126.6343 117.5645 34.99231 140.1164 15.67884 -22.55191      38.34433 
1 1 1 8   38 1  f 203.3703 10.80350 1240.328       128.3930 1891.652       283.8862 1072.842       143.9575 245.1460 19.91697 188.0982 13.13215 57.04779       23.85663 
1 1 1 8   38 2  o 100.3812 17.71015 319.0926       100.4520 607.7971       236.3691 255.4574       110.9718 131.2662 31.17049 88.22105 21.61973 43.04518       37.93431 
1 1 1 8   38 3  o 161.7582 12.00362 790.4568       113.0636 1242.757       235.0699 654.3299       128.9603 197.8994 20.55254 145.7343 15.31711 52.16518       25.63241 
1 1 1 8   38 4  o 133.7722 13.56278 546.6675       104.9368 972.0408       249.9642 455.6617       115.6185 171.1670 25.69290 120.7251 16.78293 50.44191       30.68863 
1 1 1 8   38 5  o 124.0860 14.31685 473.4437       102.2806 644.6419       239.3642 435.2030       113.1286 135.1830 30.87142 117.8770 16.84237 17.30606       35.16689 
1 1 1 8   38 6  o 61.72843 21.57245 112.9433       96.15295 286.8444       222.8343 73.15633       106.5864 91.86433 32.77386 56.70655 22.14977 35.15778       39.55677 
1 1 1 8   38 7  o 181.3751 11.79608 993.2968       124.7968 1263.467       259.3960 911.9290       142.3544 197.3528 22.83207 172.6497 14.18397 24.70313       26.87914 
1 1 1 8   38 8  o 122.2643 14.65396 461.7441       102.9855 411.7989       222.2291 475.4038       116.2182 106.4327 32.56532 123.2819 16.48695 -16.84921      36.50095 
1 1 1 8   38 9  o 106.7348 16.19018 357.5664       98.16985 3.064658       247.2037 423.9408       106.9661 68.66957 30.54217 116.4273 16.09545 -47.75772      34.52372 
1 1 1 8   38 10 o 38.19617 17.15386 -28.75581      80.01149 -577.3152      243.8605 37.42181       84.70035 44.63355 22.32175 47.67263 19.36676 -3.039082      29.55219 
1 1 1 8   38 11 o 102.0049 16.48149 328.5547       95.23745 330.2370       254.2785 328.2802       102.7139 95.95656 34.90871 101.3270 17.94087 -5.370392      39.24911 
1 1 1 8   38 12 o 126.6369 14.43830 495.9486       105.3192 295.1480       243.2275 542.2856       116.8408 91.93652 34.02568 132.0422 15.37528 -40.10567      37.33826 
1 1 1 8   38 13 o 109.7441 31.38486 443.4205       212.1612 379.5095       253.0923 594.4858       389.1108 100.4687 35.00656 117.3437 43.10489 -16.87497      55.52918 
1 1 1 8   38 14 o 72.50339 29.81254 124.2048       203.7282 103.9177       241.8644 173.7552       377.9945 74.12877 31.60257 87.69235 38.43432 -13.56358      49.75861 
1 1 1 8   38 15 o 179.3046 20.78206 1046.551       214.4974 1256.953       266.7624 661.6899       360.7875 193.6034 24.00834 122.6505 41.83548 70.95292       48.23492 
1 1 1 8   38 16 o 94.94091 40.50542 315.9785       397.8573 0.000000       0.000000 315.9785       397.8573 ?        ?        94.94091 40.50542 0.000000       40.50542 
1 1 1 8   38 17 o 118.4378 28.73557 511.9250       197.5407 456.2438       231.5213 660.9540       378.7669 107.9904 33.27568 119.3406 42.71173 -11.35022      54.14391 
1 1 1 8   38 18 o 164.6694 20.79884 892.8648       196.3916 984.7865       230.5145 649.4838       375.0874 170.3751 23.71129 117.9572 42.46865 52.41793       48.63961 
1 1 1 8   38 19 o 65.86378 28.07457 78.03725       190.8231 -64.74360      225.8293 434.4998       356.8224 59.98416 27.65436 100.4826 40.12355 -40.49843      48.73052 
1 1 1 8   38 20 o 80.51654 31.22631 222.7017       210.6501 130.0899       254.1787 425.8073       376.4149 74.87540 32.16906 98.99693 40.59491 -24.12152      51.79570 
1 1 1 8   38 21 o 86.46810 31.55152 283.3449       207.9447 317.6282       237.1354 169.2428       432.6157 89.97620 33.54044 85.22456 38.91174 4.751648       51.37202 
1 1 1 8   38 22 o 54.20979 25.53704 -122.4199      209.9202 -123.8671      234.6105 -116.6095      470.0970 57.21709 26.96706 76.18905 36.54002 -18.97195      45.41360 
1 1 1 8   38 23 o 55.80152 26.20777 -106.8173      218.1710 -215.9010      249.9889 241.7516       446.8739 54.79942 26.37564 87.12045 39.68899 -32.32103      47.65386 
1 1 1 8   38 24 o 65.88654 28.78433 73.13775       210.5128 -54.90806      234.8321 597.0679       475.0196 60.24181 27.92319 103.5080 44.21270 -43.26617      52.29213 
1 1 1 8   38 25 o 78.53655 30.99508 222.9724       210.5704 123.2809       234.6961 634.4550       476.8181 71.14751 30.74207 104.5244 44.46018 -33.37686      54.05352 
1 1 1 8   38 26 o 88.80360 32.46548 327.1198       220.3216 353.2950       261.8257 263.6256       407.7875 90.31668 34.87115 85.18056 38.44865 5.136116       51.90661 
1 1 1 8   38 27 o 116.9564 31.49977 560.4858       220.8595 632.0151       261.1479 380.8131       413.8909 119.7917 34.99105 90.47560 39.91540 29.31608       53.08118 
1 1 1 8   38 28 o 63.67294 28.67001 36.31655       225.1432 158.4644       270.4060 -239.7261      406.5009 74.56725 32.59891 66.46304 32.37460 8.104218       45.94349 
1 1 1 8   39 0  o 87.02905 21.25813 250.5122       107.5556 808.2698       261.7935 137.2503       117.9717 150.9763 30.61526 67.24297 23.86147 83.73338       38.81577 
1 1 1 8   39 1  o 75.35318 21.46841 187.1718       99.45577 540.0120       262.0092 127.7732       107.5017 119.3599 35.09929 64.93744 22.80146 54.42242       41.85530 
1 1 1 8   39 2  o 116.4877 16.02382 424.6587       106.5730 1055.863       244.1776 276.1222       118.4506 178.8628 23.87303 90.96452 22.36307 87.89826       32.71129 
1 1 1 8   39 3  o 132.1425 14.55707 539.2361       110.9481 793.6335       243.5263 472.6022       124.6342 151.2047 28.50710 122.0426 17.94873 29.16206       33.68696 
1 1 1 8   39 4  o 39.40670 17.69337 -29.44134      85.06824 92.07224       219.6907 -50.87447      92.26608 71.91376 30.36530 39.11816 17.90199 32.79559       35.24957 
1 1 1 8   39 5  o 142.0529 12.32179 614.0771       101.6394 775.7844       219.2131 569.7940       114.7151 151.6024 25.56361 135.7917 14.63531 15.81065       29.45658 
1 1 1 8   39 6  o 106.7976 16.98706 361.2590       102.8375 491.2939       239.5151 331.8695       113.8673 114.5200 33.52696 100.9217 19.94558 13.59827       39.01133 
1 1 1 8   39 7  f 83.32088 20.22910 228.6969       97.84655 137.7819       214.0917 252.7009       110.0078 75.13223 30.68953 87.10264 21.63299 -11.97041      37.54774 
1 1 1 8   39 8  o 108.7686 17.27306 375.9392       106.5061 -46.43895      239.1011 480.4930       118.9600 64.14278 29.14710 123.4210 16.87625 -59.27818      33.68027 
1 1 1 8   39 9  o 115.4471 15.84370 418.2848       104.4463 252.0197       230.9086 461.0531       117.1117 86.74770 32.93233 120.7150 17.01329 -33.96734      37.06738 
1 1 1 8   39 10 o 78.23927 19.92186 202.3652       91.64151 193.5533       237.8309 203.9016       99.31002 81.22128 32.64614 78.18450 21.15062 3.036774       38.89883 
1 1 1 8   39 11 o 166.2607 12.11401 841.7772       117.3108 922.8480       245.6711 817.8317       133.5162 163.5925 26.51260 162.7959 14.12390 0.7966156      30.04001 
1 1 1 8   39 12 o 45.18916 19.16320 16.65191       88.12311 -83.38251      229.0234 34.03621       95.47369 60.10426 27.75950 48.87877 20.28298 11.22549       34.38007 
1 1 1 8   39 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   39 14 o 84.59898 33.42413 242.8003       245.1101 242.8003       245.1101 0.000000       0.000000 84.59898 33.42413 ?        ?        0.000000       33.42413 
1 1 1 8   39 15 o 94.36703 31.71804 338.4448       207.3413 332.6567       246.9082 352.2894       381.8636 93.06821 34.31108 95.68606 40.19706 -2.617851      52.84935 
1 1 1 8   39 16 o 126.8265 27.78669 581.9810       200.9534 620.6528       233.7679 472.5074       393.3166 127.5931 31.44517 102.9598 41.76785 24.63329       52.28146 
1 1 1 8   39 17 o 125.4526 28.08784 575.2048       201.5007 674.4465       233.7861 288.4802       397.3784 133.8110 30.47455 91.00429 39.65626 42.80667       50.01317 
1 1 1 8   39 18 o 59.44420 27.76549 -97.31405      239.2736 -97.31405      239.2736 0.000000       0.000000 59.44420 27.76549 ?        ?        0.000000       27.76549 
1 1 1 8   39 19 o 150.6871 25.69387 805.3859       218.9307 968.7927       274.5270 519.8979       362.8640 160.3328 30.30536 104.5310 40.85746 55.80178       50.86990 
1 1 1 8   39 20 o 97.01123 32.02701 378.3955       211.5864 425.8607       260.0147 285.3541       364.0397 99.77727 35.42296 88.05847 38.16788 11.71880       52.07277 
1 1 1 8   39 21 o 57.80171 26.48937 -36.38733      202.9608 -156.3850      241.5481 251.7981       374.3288 56.21035 26.74658 85.64024 37.86302 -29.42989      46.35718 
1 1 1 8   39 22 o 50.73901 24.35504 -187.9229      209.8501 -245.0493      242.9185 -19.90079      416.6059 52.66182 25.50624 75.29060 35.62082 -22.62879      43.81108 
1 1 1 8   39 23 o 63.52973 28.73546 16.98778       229.1663 150.8933       264.3575 -387.9226      459.6971 74.79955 32.47244 67.18697 33.07521 7.612587       46.35115 
1 1 1 8   39 24 o 82.85683 31.97523 270.5288       220.0659 479.1467       258.5642 -277.7674      419.1798 103.1467 35.40983 66.74630 32.59214 36.40038       48.12591 
1 1 1 8   39 25 o 82.46739 31.21045 269.1891       207.0101 334.9372       250.2234 126.5917       368.5039 88.47092 34.10798 77.33921 35.53546 11.13171       49.25569 
1 1 1 8   39 26 o 62.20779 27.53982 50.04580       198.6776 114.7493       238.6252 -96.15574      358.6976 69.92476 30.59509 67.78494 32.34875 2.139816       44.52528 
1 1 1 8   39 27 o 55.47112 26.35370 -125.1849      232.6810 6.311751       280.3466 -416.3174      417.1415 66.05457 30.57982 62.36739 30.85213 3.687180       43.43937 
1 1 1 8   40 0  o 111.8587 17.41438 398.7798       110.5256 548.1268       264.5698 367.2054       121.6493 118.4742 35.38041 105.7710 20.34935 12.70323       40.81507 
1 1 1 8   40 1  o 96.25352 20.15390 304.8965       110.1158 -18.80468      258.1166 376.9172       121.7510 67.57787 30.53822 107.3314 20.07966 -39.75353      36.54826 
1 1 1 8   40 2  o 136.2290 14.23671 574.0479       112.0670 649.6518       246.5127 554.3524       125.8203 132.3093 32.10006 132.6807 16.52662 -0.3713379     36.10461 
1 1 1 8   40 3  o 71.48126 21.80471 169.1064       99.72884 259.3786       258.9460 153.3845       108.0649 88.00203 34.48007 68.83057 22.89423 19.17146       41.38866 
1 1 1 8   40 4  o 134.7226 13.64600 559.5823       106.3339 645.3210       226.6677 535.3895       120.4050 133.8133 29.66216 130.5484 16.06452 3.264908       33.73296 
1 1 1 8   40 5  o 191.6825 14.21838 1132.706       158.7010 0.000000       0.000000 1132.706       158.7010 ?        ?        191.6825 14.21838 0.000000       14.21838 
1 1 1 8   40 6  o 193.8514 11.62150 1140.355       131.5173 1687.086       251.9442 935.5723       154.1930 229.9258 18.84916 173.3639 15.32306 56.56189       24.29170 
1 1 1 8   40 7  o 49.34321 20.70760 29.49085       101.1791 -230.1079      252.6087 79.09645       110.4237 56.17158 26.89863 57.26727 22.49278 -1.095688      35.06368 
1 1 1 8   40 8  o 41.08615 18.73923 -46.03055      99.99162 -250.1614      231.4714 0.8013520      110.8700 52.44756 25.27806 47.87680 20.90333 4.570763       32.80137 
1 1 1 8   40 9  o 98.77769 18.85588 319.3838       105.2503 242.6214       237.8237 338.0798       117.3698 84.49864 33.06258 100.7662 20.55761 -16.26759      38.93263 
1 1 1 8   40 10 o 129.4339 15.46907 527.1397       115.1034 717.5593       241.0347 470.8880       131.0061 139.2678 30.36847 120.0836 19.25219 19.18412       35.95679 
1 1 1 8   40 11 o 76.93715 21.63011 201.0622       101.6449 4.840865       240.4359 243.7622       112.1605 65.96085 29.67014 84.32867 22.32949 -18.36782      37.13386 
1 1 1 8   40 12 o 172.0873 12.29794 906.9599       123.2990 695.0767       243.1274 980.3217       143.0607 135.7783 31.18921 177.9698 13.81451 -42.19153      34.11169 
1 1 1 8   40 13 o 56.97713 26.09422 -52.26562      196.5149 -52.79684      228.6398 -50.76359      384.4612 60.94790 27.99922 74.89494 35.05165 -13.94704      44.86173 
1 1 1 8   40 14 o 73.40157 29.91653 153.9282       202.8979 165.6501       238.0667 122.8117       387.8781 76.58753 31.92515 82.12796 37.24223 -5.540428      49.05302 
1 1 1 8   40 15 o 109.9728 34.39425 497.9193       246.3194 497.9193       246.3194 0.000000       0.000000 109.9728 34.39425 ?        ?        0.000000       34.39425 
1 1 1 8   40 16 o 88.70076 31.58979 304.0961       206.9360 403.6898       242.8994 40.46961       395.1891 98.80621 34.30230 77.93513 36.15856 20.87108       49.84064 
1 1 1 8   40 17 o 110.5919 30.57996 478.0811       204.9895 555.1667       245.1408 298.8558       373.7906 115.7973 33.92324 89.09446 38.64601 26.70288       51.42276 
1 1 1 8   40 18 o 96.52431 31.42095 373.4016       203.9613 196.6929       240.2415 829.5464       385.9850 77.86858 32.23120 126.9789 43.27254 -49.11030      53.95704 
1 1 1 8   40 19 o 59.33022 26.91985 -10.25025      203.0188 -24.11262      234.4400 31.31683       405.9642 61.87010 28.39678 76.67278 35.92714 -14.80267      45.79450 
1 1 1 8   40 20 f 167.6104 24.13766 988.7527       230.4403 1181.735       262.8641 348.0509       478.9608 181.9192 25.32333 91.11988 41.34543 90.79934       48.48418 
1 1 1 8   40 21 o 75.23134 35.30841 25.40643       394.7996 0.000000       0.000000 25.40643       394.7996 ?        ?        75.23134 35.30841 0.000000       35.30841 
1 1 1 8   40 22 o 43.32100 21.32148 -299.2918      190.6711 -173.7995      233.9269 -547.6990      329.1195 53.95826 25.85106 52.87334 26.36327 1.084919       36.92288 
1 1 1 8   40 23 o 105.8408 32.34832 473.5635       219.3558 487.6315       288.9044 454.4142       337.0669 101.1128 37.14223 95.95230 38.75956 5.160461       53.68285 
1 1 1 8   40 24 o 72.70298 30.51033 165.6560       219.6409 236.4827       287.1512 65.78874       340.9761 80.36091 34.35175 73.08533 33.79607 7.275581       48.18939 
1 1 1 8   40 25 o 55.92336 26.21254 -78.31429      216.3865 -42.99525      264.8014 -149.3008      375.4081 62.45548 29.18418 66.62625 32.13180 -4.170773      43.40701 
1 1 1 8   41 0  o 82.17135 23.48318 233.5288       118.8192 185.9386       254.6998 246.7667       134.3322 80.00732 33.15810 83.79103 25.25382 -3.783714      41.67990 
1 1 1 8   41 1  o 42.16207 19.39799 -59.02308      110.3107 261.9525       252.8541 -134.4725      122.5920 86.41228 34.00737 39.55219 18.88528 46.86008       38.89929 
1 1 1 8   41 2  o 93.09299 20.79842 291.1916       110.6869 600.3327       264.9123 225.8080       121.8311 122.0229 35.12515 80.69296 23.98738 41.32994       42.53435 
1 1 1 8   41 3  o 109.3471 17.77409 386.4525       110.0735 459.0899       245.4360 368.1641       123.1534 107.0140 34.43806 104.9944 20.73599 2.019592       40.19902 
1 1 1 8   41 4  o 50.89817 24.70229 -280.7413      230.8755 -280.7413      230.8755 0.000000       0.000000 50.89817 24.70229 ?        ?        0.000000       24.70229 
1 1 1 8   41 5  o 55.59917 21.66084 77.54281       101.7195 -76.47063      224.4901 117.3330       114.1054 59.33069 27.43093 62.78617 23.29264 -3.455475      35.98615 
1 1 1 8   41 6  o 102.2417 20.40937 348.8409       118.0903 313.5112       237.8261 360.4019       136.0467 90.88630 33.64415 102.2325 23.22146 -11.34620      40.87989 
1 1 1 8   41 7  o 35.55870 17.06092 -126.5091      102.7225 -207.0698      234.8972 -107.4598      114.2235 54.26548 25.97315 39.39265 18.64145 14.87282       31.97042 
1 1 1 8   41 8  o 59.66657 22.73057 99.44057       110.2436 -46.74283      253.8499 133.4202       122.3875 64.08377 29.46279 65.64950 24.16455 -1.565727      38.10487 
1 1 1 8   41 9  o 103.0134 18.79859 348.9666       109.3880 189.5410       241.0415 390.3156       122.7567 78.84207 32.42439 108.3061 20.06470 -29.46407      38.13048 
1 1 1 8   41 10 o 163.8512 13.47288 831.8543       128.3247 976.4594       259.0091 784.8113       147.7306 164.6030 27.82076 157.2407 16.25375 7.362350       32.22079 
1 1 1 8   41 11 o 64.09184 22.38851 132.3581       103.5585 81.36783       250.3977 142.8793       113.7419 70.98555 31.19158 66.32388 23.43982 4.661667       39.01717 
1 1 1 8   41 12 o 39.25904 18.02670 -48.80649      94.61696 106.7049       235.8808 -78.62599      103.2908 71.32722 30.81964 38.81584 18.16689 32.51139       35.77550 
1 1 1 8   41 13 o 84.74972 33.70157 266.5720       250.7169 266.5720       250.7169 0.000000       0.000000 84.74972 33.70157 ?        ?        0.000000       33.70157 
1 1 1 8   41 14 o 120.2834 30.09004 558.0732       211.7144 831.3009       259.8348 18.35132       365.1908 146.6664 31.16942 74.70982 34.69542 71.95658       46.64016 
1 1 1 8   41 15 o 93.23956 31.64929 348.6031       206.4520 378.2711       249.3197 283.8819       368.2447 94.80731 34.55523 87.50571 38.15261 7.301605       51.47510 
1 1 1 8   41 16 o 80.39896 31.65807 236.8524       219.2303 356.9929       264.3454 -27.81768      392.3551 91.79877 35.14257 73.73727 34.79004 18.06149       49.45045 
1 1 1 8   41 17 o 73.76517 30.70225 165.9539       219.6956 -49.44684      271.3007 576.2709       374.4441 63.93558 29.76389 105.5437 41.42997 -41.60810      51.01306 
1 1 1 8   41 18 o 48.39159 23.33986 -201.6884      198.1812 -220.8323      228.4451 -143.4539      398.4351 51.64037 24.94427 69.72541 33.49225 -18.08504      41.76060 
1 1 1 8   41 19 f 149.2052 23.87549 788.0027       201.8822 919.6701       229.8375 343.3632       422.3629 159.6189 25.40239 89.29356 39.80567 70.32533       47.22047 
1 1 1 8   41 20 o 64.82714 28.43048 74.13525       207.1190 -15.53190      243.5187 308.6384       393.8128 62.41852 28.75517 86.63695 38.54049 -24.21843      48.08565 
1 1 1 8   41 21 o 117.2026 30.33358 552.1615       210.0979 731.5266       249.6441 116.6870       388.9857 133.2948 32.28097 77.43661 35.90874 55.85815       48.28560 
1 1 1 8   41 22 o 61.69717 27.38890 45.51766       197.8435 116.1226       233.5248 -134.0341      372.4007 69.55877 30.35411 67.24337 32.32059 2.315399       44.33952 
1 1 1 8   41 23 o 56.11586 26.10124 -55.88212      207.9391 -55.88212      207.9391 0.000000       0.000000 56.11586 26.10124 ?        ?        0.000000       26.10124 
1 1 1 8   42 0  o 112.7296 33.05336 508.9679       232.6425 594.9139       281.4344 323.5175       413.4075 117.9427 36.74555 92.69125 40.41885 25.25150       54.62526 
1 1 1 8   42 1  o 81.98546 23.76502 236.1322       120.8756 360.3653       250.2180 198.3149       138.0527 94.60661 34.59637 75.55224 25.87589 19.05437       43.20267 
1 1 1 8   42 2  o 53.94752 22.29435 53.60032       114.6941 -87.26569      255.9997 88.97675       128.2902 61.84938 28.83274 59.98900 24.02331 1.860378       37.52927 
1 1 1 8   42 3  o 197.1030 11.70803 1187.246       134.7306 1598.488       269.8208 1050.652       155.5045 219.1817 21.25698 183.3506 14.58142 35.83112       25.77745 
1 1 1 8   42 4  f 117.9404 17.52587 450.4460       117.5455 632.4128       266.7766 406.6080       130.9413 123.6353 35.13985 109.6979 21.11925 13.93746       40.99795 
1 1 1 8   42 5  o 51.77217 21.88455 35.88536       114.3167 134.4781       242.6665 7.764975       129.5979 74.06022 31.61654 51.35179 22.50584 22.70843       38.80875 
1 1 1 8   42 6  o 63.29725 23.87811 120.3980       120.9440 247.6583       243.2962 78.62819       139.3862 83.29411 33.17406 59.90504 24.64871 23.38907       41.32889 
1 1 1 8   42 7  o 98.90507 22.55220 339.6245       127.9031 613.4126       273.4997 262.9864       144.7012 119.8947 36.01171 84.93649 26.32997 34.95821       44.61066 
1 1 1 8   42 8  o 87.82712 23.17100 271.7840       121.0558 263.8259       255.7135 274.0827       137.4314 84.56286 33.89876 86.98543 25.37687 -2.422569      42.34515 
1 1 1 8   42 9  o 91.11482 22.67401 290.8839       120.6759 470.2264       264.4290 243.7070       135.6225 104.2196 35.80808 82.06232 25.49906 22.15731       43.95930 
1 1 1 8   42 10 o 64.63464 23.94738 132.2804       120.5391 -20.63739      272.0933 169.6192       134.4524 65.98244 30.39645 70.66685 25.42853 -4.684402      39.63023 
1 1 1 8   42 11 o 91.67977 21.89801 292.4545       116.1196 872.0876       273.2816 164.7461       128.2755 148.5764 32.28687 69.68272 24.86549 78.89363       40.75211 
1 1 1 8   42 12 o 70.85282 22.72161 174.5356       106.9069 217.6159       268.7321 166.4359       116.5243 80.17700 33.70378 69.51208 23.77381 10.66492       41.24486 
1 1 1 8   42 13 o 58.86345 27.86901 -126.4761      255.8835 -126.4761      255.8835 0.000000       0.000000 58.86345 27.86901 ?        ?        0.000000       27.86901 
1 1 1 8   42 14 o 73.52491 29.95773 173.5807       203.3829 458.6027       247.6419 -417.0361      356.4822 102.5783 34.66417 58.85986 29.00491 43.71842       45.19834 
1 1 1 8   42 15 o 74.77982 30.31041 186.8718       206.9280 154.0015       250.2836 257.8752       367.8495 74.12864 31.88590 84.67588 37.48060 -10.54724      49.20880 
1 1 1 8   42 16 o 77.62045 32.90276 200.1868       259.6083 200.1868       259.6083 0.000000       0.000000 77.62045 32.90276 ?        ?        0.000000       32.90276 
1 1 1 8   42 17 o 76.62275 30.70252 211.3828       209.6713 335.1337       263.6758 -1.439092      345.7834 88.25002 34.72843 70.72632 33.14611 17.52370       48.00758 
1 1 1 8   42 18 o 79.55239 29.24881 243.7516       179.2230 302.9564       224.0858 138.6472       298.5700 85.53603 32.44915 74.60591 33.34855 10.93012       46.53035 
1 1 1 8   42 19 f 69.64778 27.88792 158.5406       172.8644 37.29281       222.9610 341.2554       273.7026 63.40178 28.54081 88.07632 35.15047 -24.67453      45.27840 
1 1 1 8   42 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   42 21 o 69.93303 29.80378 142.5631       214.9864 175.3858       288.0904 101.3135       322.9626 75.51824 33.30962 72.98333 33.43492 2.534912       47.19560 
1 1 1 8   43 0  o 105.1623 21.20150 378.6341       126.2406 281.3306       277.6127 404.0004       141.7436 85.68768 34.96753 107.2269 23.21382 -21.53918      41.97153 
1 1 1 8   43 1  o 76.45160 24.58433 208.3059       125.0931 231.5657       267.5880 201.8011       141.5078 81.54752 33.90788 75.32755 26.18010 6.219971       42.83855 
1 1 1 8   43 2  o 116.7188 20.74881 461.6980       136.8268 1004.046       282.5768 295.5940       156.3823 161.4288 30.97352 88.72922 27.34927 72.69962       41.31999 
1 1 1 8   43 3  o 57.38242 23.92880 65.50490       133.8194 345.2400       253.5244 -42.53312      157.5559 91.27030 34.53994 51.30034 23.44546 39.96996       41.74562 
1 1 1 8   43 4  o 50.15511 22.39842 -9.963194      134.3582 -414.7035      265.5262 129.3339       155.7723 50.00885 24.71595 66.56641 26.53378 -16.55756      36.26182 
1 1 1 8   43 5  o 72.50317 25.09966 183.9543       130.0103 585.1251       295.8779 87.96399       144.7310 112.7949 37.88938 60.99703 25.10940 51.79786       45.45423 
1 1 1 8   43 6  o 95.95589 23.70560 328.9368       132.6160 371.3763       285.5481 317.2655       149.7450 92.73681 36.24520 92.33014 26.35502 0.4066696      44.81408 
1 1 1 8   43 7  o 91.37635 23.60485 299.1089       127.3882 372.0785       275.1327 279.1976       143.7215 92.75672 35.76405 86.69711 26.11968 6.059608       44.28662 
1 1 1 8   43 8  o 81.39119 24.53237 240.6190       126.7632 492.8094       287.7767 179.9055       141.1999 103.3201 37.19889 71.84756 26.03128 31.47257       45.40248 
1 1 1 8   43 9  o 141.3303 17.18459 649.4674       139.5137 777.3887       289.0903 610.6294       159.2907 133.5968 36.06309 133.9481 20.96397 -0.3513031     41.71372 
1 1 1 8   43 10 o 86.83273 24.08038 273.4651       126.9065 613.9371       268.3137 175.3493       144.0362 117.8404 35.72866 71.18680 26.21270 46.65356       44.31300 
1 1 1 8   43 11 o 104.9979 21.28195 381.0942       126.5589 332.3701       274.7997 394.2111       142.5801 88.62202 35.26947 104.9253 23.72815 -16.30332      42.50835 
1 1 1 8   43 12 o 74.77126 23.14075 199.4097       111.8229 -7.659910      271.3741 241.7599       122.7264 65.56419 30.25844 81.56546 24.03175 -16.00127      38.64063 
1 1 1 8   43 13 o 75.77943 32.61248 177.2975       262.0728 177.2975       262.0728 0.000000       0.000000 75.77943 32.61248 ?        ?        0.000000       32.61248 
1 1 1 8   43 14 o 106.9063 36.05774 528.9867       267.9524 528.9867       267.9524 0.000000       0.000000 106.9063 36.05774 ?        ?        0.000000       36.05774 
1 1 1 8   43 15 o 145.3912 27.35222 795.4677       224.6707 776.8712       281.2151 828.2832       373.5631 132.6387 35.46540 123.0912 42.54948 9.547440       55.39181 
1 1 1 8   43 16 o 50.46818 24.29751 -186.7858      212.4838 -219.3148      268.5872 -132.3702      347.3857 55.64212 26.91854 65.45376 31.39655 -9.811642      41.35639 
1 1 1 8   43 17 o 91.57034 35.65041 384.9388       275.3892 384.9388       275.3892 0.000000       0.000000 91.57034 35.65041 ?        ?        0.000000       35.65041 
1 1 1 8   43 18 o 63.77768 27.91719 77.17982       198.8650 247.8765       263.6050 -148.2882      302.9589 79.91653 33.47360 61.16126 29.33299 18.75527       44.50737 
1 1 1 8   44 0  o 122.7786 18.04802 497.6146       126.0827 891.9091       268.6026 386.1839       142.7915 149.7632 31.57739 103.5395 23.98618 46.22366       39.65437 
1 1 1 8   44 1  o 79.16976 25.95680 231.7532       139.0724 477.5370       250.9225 122.7749       167.0832 103.8630 34.89245 66.12749 27.07325 37.73548       44.16383 
1 1 1 8   44 2  o 103.9974 22.74936 382.3262       134.8835 763.9913       258.9522 240.2168       158.0119 136.6410 32.74235 79.91716 27.67071 56.72388       42.86875 
1 1 1 8   44 3  o 49.45842 22.01611 -3.896272      128.7262 -172.0033      278.0194 41.97671       145.2314 58.91323 28.21355 56.01067 24.19225 2.902554       37.16543 
1 1 1 8   44 4  o 50.45766 22.17885 10.75073       126.6964 -60.49569      257.9137 33.41176       145.4563 61.75438 28.83868 55.23622 24.03222 6.518162       37.53954 
1 1 1 8   44 5  o 67.92832 24.85720 156.5604       129.2030 -2.359803      258.6036 209.4260       149.1528 64.73447 29.75294 75.69534 26.83321 -10.96088      40.06569 
1 1 1 8   44 6  o 48.77281 21.86754 -12.64751      129.4332 -118.1681      285.0439 14.76120       145.2738 61.63363 29.24883 53.52006 23.62816 8.113567       37.60032 
1 1 1 8   44 7  o 115.3865 28.78964 517.3618       194.1792 277.3719       296.6686 697.2374       256.8392 83.89163 35.34729 128.5295 33.67499 -44.63786      48.82044 
1 1 1 8   44 8  o 168.7766 19.18856 950.4647       186.5669 940.0211       295.2256 957.4084       240.7278 149.1548 34.44470 161.3896 26.34088 -12.23486      43.36219 
1 1 1 8   44 9  o 137.2823 19.10538 631.2872       149.6605 366.1584       288.1777 729.2032       175.1294 90.19528 36.04394 145.7765 21.09696 -55.58124      41.76419 
1 1 1 8   44 10 o 96.57051 23.16798 336.1176       129.5311 138.8374       283.7938 388.0309       145.5796 73.77924 32.77491 102.8680 24.48557 -29.08876      40.91134 
1 1 1 8   44 11 o 56.59350 22.64816 84.48389       113.9437 243.3856       273.9583 51.24646       125.2951 80.22335 33.89322 54.01164 22.87498 26.21171       40.89028 
1 1 1 8   44 12 o 65.41817 23.06967 146.8767       110.1313 -10.31192      255.4549 182.7620       122.0568 63.34393 29.27767 71.27704 24.33278 -7.933105      38.06922 
1 1 1 8   44 13 o 62.65442 29.11000 -26.26211      257.5223 -26.26211      257.5223 0.000000       0.000000 62.65442 29.11000 ?        ?        0.000000       29.11000 
1 1 1 8   44 14 o 48.81290 24.27262 -450.2360      271.2732 -450.2360      271.2732 0.000000       0.000000 48.81290 24.27262 ?        ?        0.000000       24.27262 
1 1 1 8   44 15 o 73.45705 32.66577 146.3620       282.6493 146.3620       282.6493 0.000000       0.000000 73.45705 32.66577 ?        ?        0.000000       32.66577 
1 1 1 8   45 0  o 99.74961 22.67265 356.0884       129.6189 665.2098       278.9219 270.9430       146.3857 119.7655 36.45189 84.07969 26.54524 35.68586       45.09313 
1 1 1 8   45 1  o 32.69511 16.18864 -229.6814      115.8200 -358.5410      272.7309 -201.3294      127.9285 51.52713 25.38735 36.38232 17.81622 15.14481       31.01509 
1 1 1 8   45 2  o 45.14961 20.83155 -52.87610      128.5033 7.659139       261.9367 -72.06359      147.4692 64.76534 29.83142 47.01857 21.90711 17.74677       37.01129 
1 1 1 8   45 3  o 45.96617 21.41566 -71.47766      140.8977 -84.33848      235.6801 -64.32457      175.7663 57.70752 27.14557 51.67379 24.02224 6.033726       36.24845 
1 1 1 8   45 4  o 103.8959 23.80634 392.7106       141.9417 527.3318       252.3316 330.3936       171.6795 107.5594 34.94407 90.84643 28.75566 16.71301       45.25456 
1 1 1 8   45 5  o 55.51333 24.03571 43.43164       144.0527 260.0915       259.0026 -53.60784      173.3362 81.01613 33.49364 51.98716 24.05966 29.02897       41.23944 
1 1 1 8   45 6  o 126.1088 25.68627 589.7298       183.5153 335.0162       263.5942 829.3176       255.6479 87.24237 34.60029 142.9754 31.35337 -55.73305      46.69276 
1 1 1 8   45 7  o 132.3149 28.10015 674.5211       211.3137 569.2995       274.3577 827.9733       331.3229 109.4785 36.48066 128.4028 39.84809 -18.92432      54.02507 
1 1 1 8   45 8  o 60.65399 25.59643 84.45343       155.9612 221.0220       299.1132 33.46118       182.7731 78.87665 34.38794 59.02144 26.25584 19.85521       43.26545 
1 1 1 8   45 9  o 148.8375 18.11156 735.4272       154.8443 752.5215       311.2789 729.8063       178.4958 123.7695 38.65770 144.8060 21.68430 -21.03651      44.32410 
1 1 1 8   45 10 o 50.40584 22.09424 17.70723       124.9385 246.8007       294.5630 -32.54818      137.9632 80.28797 34.56412 48.16436 21.98444 32.12361       40.96333 
1 1 1 8   45 11 o 51.54287 21.63640 49.05655       110.5039 -330.9018      279.3194 119.5602       120.3203 52.74832 25.93075 61.55753 23.67263 -8.809204      35.11121 
1 1 1 8   45 12 o 75.56493 23.43227 209.8731       114.5937 182.8990       276.9570 215.4449       125.8738 75.06075 32.89850 75.94766 24.68106 -0.8869171     41.12744 
1 1 1 8   46 0  o 46.74572 21.50321 -44.98705      135.4738 63.95156       293.9107 -74.37634      152.6579 69.32004 31.80835 47.49835 22.18313 21.82169       38.77967 
1 1 1 8   46 1  o 108.1738 21.57050 412.3149       132.0436 493.6525       297.3673 392.3385       147.3692 99.06390 37.42586 102.6434 24.76722 -3.579453      44.87884 
1 1 1 8   46 2  f 105.4761 36.67257 542.6237       277.6781 542.6237       277.6781 0.000000       0.000000 105.4761 36.67257 ?        ?        0.000000       36.67257 
1 1 1 8   46 3  o 133.3483 21.21148 618.7526       160.3353 1066.194       257.7513 336.3309       204.7773 167.9430 27.09067 88.73210 31.44242 79.21094       41.50337 
1 1 1 8   46 4  o 122.9959 21.31068 528.8445       148.1562 594.4205       237.7859 487.2334       189.4169 116.5470 33.19235 110.1709 28.94539 6.376045       44.04052 
1 1 1 8   46 5  o 69.21475 26.55906 168.6525       151.2220 -38.32522      245.7253 294.8277       191.8559 60.43043 28.19681 84.24323 30.36764 -23.81280      41.43976 
1 1 1 8   46 6  o 54.57898 24.25896 20.61210       155.6926 -58.25890      252.8060 68.80506       197.6152 60.02313 28.19709 62.57577 27.59487 -2.552635      39.45317 
1 1 1 9   0  0  o 741.9041 17.75579 16222.43       771.5712 16222.43       771.5712 16222.43       771.5712 741.9041 17.75579 741.9041 17.75579 0.000000       0.000000 
1 1 1 9   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  2  o 430.5224 17.17886 5478.444       432.1790 5478.444       432.1790 5478.444       432.1790 430.5224 17.17886 430.5224 17.17886 0.000000       0.000000 
1 1 1 9   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  8  o 80.02094 33.93105 267.9854       161.2957 267.9854       161.2957 267.9854       161.2957 80.02094 33.93105 80.02094 33.93105 0.000000       0.000000 
1 1 1 9   0  9  o 65.51112 32.47891 186.4774       150.4218 186.4774       150.4218 186.4774       150.4218 65.51112 32.47891 65.51112 32.47891 0.000000       0.000000 
1 1 1 9   0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  11 o 396.6980 12.35014 4631.760       286.6999 4631.760       286.6999 4631.760       286.6999 396.6980 12.35014 396.6980 12.35014 0.000000       0.000000 
1 1 1 9   0  12 o 42.56099 25.45611 55.12587       112.9455 55.12587       112.9455 55.12587       112.9455 42.56099 25.45611 42.56099 25.45611 0.000000       0.000000 
1 1 1 9   0  13 o 580.6207 11.00688 9901.944       374.5030 9901.944       374.5030 9901.944       374.5030 580.6207 11.00688 580.6207 11.00688 0.000000       0.000000 
1 1 1 9   0  14 o 643.4346 11.82407 12160.73       445.8525 12160.73       445.8525 12160.73       445.8525 643.4346 11.82407 643.4346 11.82407 0.000000       0.000000 
1 1 1 9   0  15 o 1203.648 20.47132 42609.41       1444.151 42609.41       1444.151 42609.41       1444.151 1203.648 20.47132 1203.648 20.47132 0.000000       0.000000 
1 1 1 9   0  16 o 565.9590 11.26342 9410.114       373.5231 9410.114       373.5231 9410.114       373.5231 565.9590 11.26342 565.9590 11.26342 0.000000       0.000000 
1 1 1 9   0  17 o 302.5159 10.96663 2695.958       193.9874 2695.958       193.9874 2695.958       193.9874 302.5159 10.96663 302.5159 10.96663 0.000000       0.000000 
1 1 1 9   0  18 o 125.1246 22.19510 501.2968       147.5938 501.2968       147.5938 501.2968       147.5938 125.1246 22.19510 125.1246 22.19510 0.000000       0.000000 
1 1 1 9   0  19 o 48.42767 28.08235 84.37057       130.2364 84.37057       130.2364 84.37057       130.2364 48.42767 28.08235 48.42767 28.08235 0.000000       0.000000 
1 1 1 9   0  20 o 83.98547 29.06569 270.6757       129.0627 270.6757       129.0627 270.6757       129.0627 83.98547 29.06569 83.98547 29.06569 0.000000       0.000000 
1 1 1 9   0  21 o 702.6259 12.70122 14511.70       522.9980 14511.70       522.9980 14511.70       522.9980 702.6259 12.70122 702.6259 12.70122 0.000000       0.000000 
1 1 1 9   0  22 o 123.7260 18.77682 480.2447       126.9653 480.2447       126.9653 480.2447       126.9653 123.7260 18.77682 123.7260 18.77682 0.000000       0.000000 
1 1 1 9   0  23 o 571.1998 11.01118 9591.956       368.5600 9591.956       368.5600 9591.956       368.5600 571.1998 11.01118 571.1998 11.01118 0.000000       0.000000 
1 1 1 9   0  24 o 167.2267 12.04926 834.3499       116.7344 834.3499       116.7344 834.3499       116.7344 167.2267 12.04926 167.2267 12.04926 0.000000       0.000000 
1 1 1 9   0  25 o 154.0377 11.88316 709.6567       105.8437 709.6567       105.8437 709.6567       105.8437 154.0377 11.88316 154.0377 11.88316 0.000000       0.000000 
1 1 1 9   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  27 o 411.4582 9.178336 4980.122       221.2341 4980.122       221.2341 4980.122       221.2341 411.4582 9.178336 411.4582 9.178336 0.000000       0.000000 
1 1 1 9   0  28 o 58.83591 26.87872 149.4863       100.8804 149.4863       100.8804 149.4863       100.8804 58.83591 26.87872 58.83591 26.87872 0.000000       0.000000 
1 1 1 9   0  29 o 101.9767 18.61865 335.7171       100.3781 335.7171       100.3781 335.7171       100.3781 101.9767 18.61865 101.9767 18.61865 0.000000       0.000000 
1 1 1 9   0  30 o 132.0577 15.15518 533.8181       113.3711 533.8181       113.3711 533.8181       113.3711 132.0577 15.15518 132.0577 15.15518 0.000000       0.000000 
1 1 1 9   0  31 o 145.5441 14.86965 643.3740       123.6351 643.3740       123.6351 643.3740       123.6351 145.5441 14.86965 145.5441 14.86965 0.000000       0.000000 
1 1 1 9   0  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  33 o 34.16351 22.60047 -26.56650      118.1234 -26.56650      118.1234 -26.56650      118.1234 34.16351 22.60047 34.16351 22.60047 0.000000       0.000000 
1 1 1 9   0  34 o 58.52658 29.58770 151.1366       126.0396 151.1366       126.0396 151.1366       126.0396 58.52658 29.58770 58.52658 29.58770 0.000000       0.000000 
1 1 1 9   0  35 f 176.8197 14.74138 941.8557       150.3364 941.8557       150.3364 941.8557       150.3364 176.8197 14.74138 176.8197 14.74138 0.000000       0.000000 
1 1 1 9   0  36 o 100.4995 29.13650 368.4525       149.0032 368.4525       149.0032 368.4525       149.0032 100.4995 29.13650 100.4995 29.13650 0.000000       0.000000 
1 1 1 9   0  37 o 44.79866 27.17794 59.29063       132.4961 59.29063       132.4961 59.29063       132.4961 44.79866 27.17794 44.79866 27.17794 0.000000       0.000000 
1 1 1 9   0  38 o 71.14596 33.33758 226.1995       155.7253 226.1995       155.7253 226.1995       155.7253 71.14596 33.33758 71.14596 33.33758 0.000000       0.000000 
1 1 1 9   0  39 o 46.35218 28.55700 57.14572       151.4112 57.14572       151.4112 57.14572       151.4112 46.35218 28.55700 46.35218 28.55700 0.000000       0.000000 
1 1 1 9   0  40 o 173.0270 15.53779 912.0351       154.6063 912.0351       154.6063 912.0351       154.6063 173.0270 15.53779 173.0270 15.53779 0.000000       0.000000 
1 1 1 9   0  41 o 181.4545 14.49863 998.9747       151.9580 998.9747       151.9580 998.9747       151.9580 181.4545 14.49863 181.4545 14.49863 0.000000       0.000000 
1 1 1 9   0  42 o 188.0695 14.66625 1074.746       159.4412 1074.746       159.4412 1074.746       159.4412 188.0695 14.66625 188.0695 14.66625 0.000000       0.000000 
1 1 1 9   0  43 o 130.5156 18.69363 544.0888       134.5915 544.0888       134.5915 544.0888       134.5915 130.5156 18.69363 130.5156 18.69363 0.000000       0.000000 
1 1 1 9   0  44 o 142.7257 17.80953 643.6191       142.8121 643.6191       142.8121 643.6191       142.8121 142.7257 17.80953 142.7257 17.80953 0.000000       0.000000 
1 1 1 9   0  45 o 131.9893 21.08729 571.2226       150.7615 571.2226       150.7615 571.2226       150.7615 131.9893 21.08729 131.9893 21.08729 0.000000       0.000000 
1 1 1 9   0  46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  47 o 43.16185 27.59714 37.32526       156.2646 37.32526       156.2646 37.32526       156.2646 43.16185 27.59714 43.16185 27.59714 0.000000       0.000000 
1 1 1 9   0  48 o 100.8509 32.37292 413.3694       168.8736 413.3694       168.8736 413.3694       168.8736 100.8509 32.37292 100.8509 32.37292 0.000000       0.000000 
1 1 1 9   0  49 f 165.5433 21.44937 895.7550       198.6219 895.7550       198.6219 895.7550       198.6219 165.5433 21.44937 165.5433 21.44937 0.000000       0.000000 
1 1 1 9   0  50 o 144.8660 30.90032 767.3623       230.6777 767.3623       230.6777 767.3623       230.6777 144.8660 30.90032 144.8660 30.90032 0.000000       0.000000 
1 1 1 9   1  0  f 1184.345 22.29831 41570.84       1548.819 41467.90       2676.213 41622.67       1899.190 1169.572 39.07087 1181.904 27.39905 -12.33203      47.72044 
1 1 1 9   1  1  o 730.5912 14.34443 15721.58       614.6221 18266.84       1189.058 14793.58       717.9773 783.1861 25.92306 707.9913 17.29148 75.19476       31.16088 
1 1 1 9   1  2  o 478.7654 17.99350 6778.512       504.3307 6778.512       504.3307 0.000000       0.000000 478.7654 17.99350 ?        ?        0.000000       17.99350 
1 1 1 9   1  3  o 154.4253 19.18060 715.5852       169.9798 715.5852       169.9798 0.000000       0.000000 154.4253 19.18060 ?        ?        0.000000       19.18060 
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  o 152.2038 14.29129 687.5206       126.0772 772.6874       170.9830 586.0369       186.6449 160.8430 18.46013 138.8305 23.77831 22.01251       30.10290 
1 1 1 9   1  9  o 189.4297 10.65569 1057.235       117.9033 890.7673       161.5389 1247.014       172.4790 173.2396 16.08300 205.4187 14.40816 -32.17911      21.59301 
1 1 1 9   1  10 o 81.26084 20.20460 202.2435       95.88176 194.4944       133.5103 210.4967       137.7852 81.38356 25.30158 84.22478 25.61711 -2.841225      36.00564 
1 1 1 9   1  11 o 1768.365 29.75106 92547.45       3085.495 91320.03       4278.835 93877.13       4453.501 1748.870 41.71743 1772.318 42.84591 -23.44836      59.80064 
1 1 1 9   1  12 o 283.6452 8.557537 2363.042       142.1928 2488.806       206.5273 2249.700       196.0627 290.8722 12.13331 276.5226 12.11908 14.34961       17.14903 
1 1 1 9   1  13 o 1086.529 13.08581 34673.92       833.8589 35322.30       1209.485 34086.54       1151.184 1095.699 18.82169 1076.471 18.23441 19.22742       26.20591 
1 1 1 9   1  14 o 558.9918 7.602463 9167.966       249.2357 9193.728       353.1680 9142.406       351.7811 559.6205 10.76062 558.0571 10.74839 1.563416       15.20917 
1 1 1 9   1  15 o 1372.938 23.22825 55573.74       1870.329 52878.57       2454.077 59308.56       2888.886 1336.292 31.31383 1413.566 34.84688 -77.27356      46.84935 
1 1 1 9   1  16 o 519.8611 10.62135 7934.349       323.8304 8301.773       481.1826 7630.170       437.8142 531.1855 15.46235 509.3143 14.67258 21.87122       21.31593 
1 1 1 9   1  17 o 456.4781 7.457290 6114.090       199.6418 6206.089       287.9164 6028.894       277.0683 459.7489 10.67813 453.1516 10.42540 6.597321       14.92352 
1 1 1 9   1  18 o 665.6603 8.773747 13005.65       342.5219 12812.10       478.3488 13209.32       490.6848 660.3854 12.35085 670.5316 12.47765 -10.14618      17.55663 
1 1 1 9   1  19 o 215.0259 8.215544 1359.008       103.4137 1324.837       145.2032 1394.182       147.3178 212.0398 11.72199 217.5463 11.58838 -5.506531      16.48319 
1 1 1 9   1  20 o 206.0904 8.439734 1248.923       101.7928 1223.509       148.3452 1271.538       139.9362 203.6420 12.48092 207.7054 11.53295 -4.063370      16.99360 
1 1 1 9   1  21 o 150.7622 10.40834 670.9654       91.46414 719.2101       134.2011 629.1166       124.9892 155.5984 14.88755 145.4363 14.86250 10.16214       21.03647 
1 1 1 9   1  22 o 279.7825 6.920548 2297.695       113.5564 2286.754       159.9093 2308.825       161.2855 278.8062 9.794812 280.1467 9.831805 -1.340515      13.87814 
1 1 1 9   1  23 o 243.7417 7.059336 1745.669       100.8060 1685.327       144.8130 1802.397       140.4113 239.2063 10.34696 247.4547 9.693868 -8.248383      14.17853 
1 1 1 9   1  24 o 603.7750 7.983009 10708.83       282.6782 10911.46       407.1789 10520.31       392.7463 608.8989 11.40222 597.9236 11.19995 10.97528       15.98279 
1 1 1 9   1  25 o 394.7947 6.424783 4576.551       148.7580 4605.277       211.1770 4548.257       209.5832 395.7686 9.098185 393.3123 9.085912 2.456360       12.85810 
1 1 1 9   1  26 o 501.3954 7.084982 7385.178       208.3385 7322.282       293.1492 7449.365       296.1440 498.8083 10.02085 503.1154 10.03656 -4.307098      14.18273 
1 1 1 9   1  27 o 49.40377 18.27709 56.81872       70.16764 -12.39442      101.1156 121.1045       97.44991 46.46225 20.12712 65.32121 21.74113 -18.85897      29.62731 
1 1 1 9   1  28 f 92.12188 13.83431 256.3606       72.43611 269.2999       98.08205 240.8357       107.4360 93.55300 18.53202 88.05206 21.08389 5.500946       28.07074 
1 1 1 9   1  29 o 207.1916 7.091467 1263.209       86.04350 1250.455       121.7075 1275.953       121.6603 205.7717 10.11612 207.8794 10.00840 -2.107681      14.23039 
1 1 1 9   1  30 f 153.1311 8.913793 692.4658       79.70670 724.4742       113.3984 661.2095       112.0581 156.1289 12.48839 149.0341 12.94897 7.094833       17.98987 
1 1 1 9   1  31 o 44.18696 18.56618 8.895376       81.48804 51.35319       117.9827 -29.83372      112.6829 57.61006 23.04908 47.30692 20.85053 10.30314       31.08062 
1 1 1 9   1  32 o 284.4146 7.381769 2379.603       123.0257 2379.941       176.8704 2379.286       171.2354 283.9506 10.63974 283.9702 10.29889 -0.1959229E-01 14.80780 
1 1 1 9   1  33 o 77.54983 19.97910 186.5367       91.42692 240.3293       130.7597 135.0853       127.8826 87.91572 24.46678 70.73978 24.86672 17.17593       34.88520 
1 1 1 9   1  34 o 99.02647 22.69898 306.9491       129.0041 303.5984       143.1065 321.4803       298.0188 98.23149 24.83154 106.1277 37.89734 -7.896172      45.30798 
1 1 1 9   1  35 o 319.9054 7.308407 3011.106       137.1181 3051.350       197.9733 2974.001       190.0951 321.2892 10.52073 317.2557 10.23008 4.033539       14.67448 
1 1 1 9   1  36 o 322.0090 7.584639 3052.966       143.2364 3211.881       206.7382 2906.260       198.6383 329.4493 10.71419 313.3365 10.82566 16.11285       15.23118 
1 1 1 9   1  37 f 79.08920 21.56315 196.2548       102.7468 239.1179       156.3972 163.7082       136.2825 87.67907 27.40403 75.21674 25.71087 12.46233       37.57698 
1 1 1 9   1  38 o 240.8163 9.025779 1715.052       127.2483 1914.776       192.8584 1561.070       169.3392 253.3378 13.02411 228.7885 12.66987 24.54932       18.17011 
1 1 1 9   1  39 o 104.2653 18.55031 338.8831       109.2758 207.4340       154.3498 470.9794       154.7294 82.17832 27.36205 121.9457 22.46236 -39.76740      35.40112 
1 1 1 9   1  40 o 181.4624 10.75220 983.2205       113.9156 940.0458       153.7613 1035.750       169.6032 175.9158 15.04800 184.3745 15.83825 -8.458786      21.84703 
1 1 1 9   1  41 o 246.5925 8.407496 1804.511       121.4120 1897.782       175.2642 1718.455       168.3494 251.4023 11.92099 239.1464 12.04196 12.25584       16.94458 
1 1 1 9   1  42 o 76.44420 20.78111 190.4206       95.59292 442.4344       141.2757 -22.40125      129.8265 116.8359 21.40632 50.12386 22.22249 66.71205       30.85563 
1 1 1 9   1  43 o 130.6144 13.11007 521.3160       99.06962 539.6255       143.9304 504.8313       136.5703 129.9004 19.49359 125.7669 19.11672 4.133453       27.30292 
1 1 1 9   1  44 o 47.38229 19.57874 31.44974       88.43959 -69.59110      130.3159 117.7203       120.4149 45.83441 21.08615 64.15701 23.90367 -18.32261      31.87493 
1 1 1 9   1  45 o 53.22319 21.00530 63.85439       96.71092 41.63526       139.4012 84.47163       134.2822 56.94726 24.12374 60.97700 24.52308 -4.029739      34.39966 
1 1 1 9   1  46 o 76.59930 22.06456 199.7543       104.5004 137.0345       150.9997 257.4048       144.7689 68.46354 26.46893 85.10249 26.32855 -16.63895      37.33359 
1 1 1 9   1  47 o 106.0747 18.32833 368.2840       109.8989 434.4995       152.1436 296.0399       158.9187 111.5801 23.96509 89.73078 27.55435 21.84933       36.51805 
1 1 1 9   1  48 o 71.70511 23.92686 176.7019       118.0147 136.8169       169.6616 214.0901       164.2653 68.91468 27.61678 77.76106 28.09030 -8.846382      39.39228 
1 1 1 9   1  49 o 112.0994 21.57351 430.8339       136.6847 449.6670       194.1482 412.3259       192.4655 107.5384 29.76982 102.5740 30.06089 4.964424       42.30720 
1 1 1 9   1  50 o 71.46783 26.62840 175.1294       149.4335 -136.0234      225.8170 417.5384       199.3169 55.02185 26.08847 101.9186 30.77132 -46.89676      40.34207 
1 1 1 9   2  0  o 1419.706 26.68698 60020.26       2222.021 58559.78       3762.205 60802.63       2753.597 1380.314 46.54099 1423.203 32.99006 -42.88904      57.04741 
1 1 1 9   2  1  o 926.4705 17.68912 25342.58       961.1438 25075.54       1648.406 25480.13       1183.065 914.8066 30.76826 927.3658 21.75238 -12.55920      37.68092 
1 1 1 9   2  2  o 448.9692 17.33279 5959.024       455.5321 5959.024       455.5321 0.000000       0.000000 448.9692 17.33279 ?        ?        0.000000       17.33279 
1 1 1 9   2  3  o 281.5230 15.41448 2343.358       253.5321 2343.358       253.5321 0.000000       0.000000 281.5230 15.41448 ?        ?        0.000000       15.41448 
1 1 1 9   2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  7  o 444.4818 13.51634 5817.972       351.9320 5817.972       351.9320 0.000000       0.000000 444.4818 13.51634 ?        ?        0.000000       13.51634 
1 1 1 9   2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  9  o 398.9254 8.906447 4671.670       208.3755 4438.139       278.3016 4969.632       314.3565 388.4501 12.23127 410.9903 13.05846 -22.54022      17.89210 
1 1 1 9   2  10 o 867.5575 15.04680 22129.07       765.5840 21489.55       1039.468 22887.27       1131.816 853.9145 20.75611 880.9961 21.90541 -27.08160      30.17720 
1 1 1 9   2  11 o 296.0647 7.266129 2571.751       126.1654 2659.691       212.8152 2524.094       156.6649 300.6982 12.09227 293.1213 9.124373 7.576843       15.14851 
1 1 1 9   2  12 o 1520.511 20.93395 68078.33       1866.772 63974.58       2930.170 70881.84       2421.887 1468.972 34.01174 1549.505 26.65082 -80.53259      43.20954 
1 1 1 9   2  13 o 814.4183 10.10058 19468.52       482.4414 19421.62       682.9466 19515.23       681.6058 813.0423 14.32264 815.0062 14.26008 -1.963867      20.21108 
1 1 1 9   2  14 o 676.0186 8.705295 13410.84       345.1378 13454.26       490.2280 13368.17       485.9968 676.8609 12.34947 674.6973 12.28214 2.163635       17.41724 
1 1 1 9   2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  16 o 878.0119 15.39407 22662.69       792.6917 24189.44       1221.952 21553.36       1041.595 905.4135 23.03082 855.3754 20.76307 50.03815       31.00845 
1 1 1 9   2  17 o 402.1740 7.315953 4745.825       172.5581 4351.756       230.6018 5247.253       260.1248 384.8685 10.22550 422.7516 10.49170 -37.88306      14.65049 
1 1 1 9   2  18 o 154.1121 11.69392 701.6180       104.9044 675.4709       152.0620 725.3635       144.9107 150.4798 17.55992 156.2178 16.04465 -5.737976      23.78616 
1 1 1 9   2  19 o 258.9931 7.221626 1969.870       109.5846 2002.676       159.5882 1940.600       150.7419 260.9342 10.44958 256.8835 10.02494 4.050720       14.48079 
1 1 1 9   2  20 f 179.4058 9.371428 947.6876       98.26176 1033.917       143.5756 871.7130       134.7684 187.0608 13.17142 171.6470 13.49603 15.41371       18.85813 
1 1 1 9   2  21 o 382.3516 6.662957 4290.387       149.4103 4320.721       215.2050 4262.160       207.5964 383.5368 9.567417 380.9467 9.291912 2.590057       13.33698 
1 1 1 9   2  22 o 255.5379 7.038059 1918.270       105.3768 1889.668       150.0828 1946.081       147.9898 253.3807 10.12002 257.1675 9.830274 -3.786835      14.10848 
1 1 1 9   2  23 o 682.2994 8.769654 13676.68       350.9199 13803.16       500.9696 13554.82       491.7113 684.7946 12.47385 678.6307 12.35453 6.163818       17.55652 
1 1 1 9   2  24 o 580.6344 7.773661 9902.961       264.7152 10114.15       383.8647 9711.455       365.5352 586.2639 11.16438 574.5303 10.84840 11.73358       15.56699 
1 1 1 9   2  25 o 184.7271 7.548152 1004.158       81.60298 983.4078       118.0272 1023.160       112.9483 182.4340 11.08357 186.1823 10.38522 -3.748230      15.18876 
1 1 1 9   2  26 o 198.7048 8.010862 1162.361       93.16374 1217.336       126.2975 1096.742       137.9836 203.0591 10.64242 192.4848 12.28723 10.57428       16.25537 
1 1 1 9   2  27 o 454.3053 6.789688 6063.394       180.9040 6256.859       263.7500 5891.521       248.5957 461.0451 9.754354 447.4306 9.473653 13.61453       13.59770 
1 1 1 9   2  28 o 106.2867 12.06925 337.5805       73.90271 301.8386       104.8686 372.8432       104.1634 99.13568 18.72308 110.9338 16.51295 -11.79812      24.96460 
1 1 1 9   2  29 o 390.8188 7.762857 4491.366       177.9294 4526.718       212.9705 4409.658       323.7764 392.1238 9.260741 385.7006 14.33841 6.423187       17.06902 
1 1 1 9   2  30 o 123.4033 11.15352 452.7274       79.85097 417.7211       111.7059 489.3064       114.1876 117.4731 16.68243 127.5437 15.58906 -10.07058      22.83249 
1 1 1 9   2  31 o 306.9365 6.892095 2768.604       124.0653 2805.199       175.4220 2731.981       175.4877 308.4787 9.708437 304.3999 9.842898 4.078827       13.82521 
1 1 1 9   2  32 o 181.6452 9.815814 974.6453       104.1800 1185.704       158.6938 814.7934       138.1076 199.7759 13.62618 165.2950 14.38975 34.48093       19.81761 
1 1 1 9   2  33 o 68.28445 24.68577 119.3558       126.8907 177.0504       138.2119 -190.1618      320.1259 78.06346 25.88918 72.56194 33.25901 5.501518       42.14749 
1 1 1 9   2  34 o 310.5177 7.183261 2835.525       130.8153 2956.210       193.0636 2733.086       177.8705 316.3913 10.41881 304.2930 9.980429 12.09827       14.42777 
1 1 1 9   2  35 o 100.5472 16.77658 309.4189       95.44550 275.0909       141.1794 338.3165       129.5321 93.38551 25.19895 103.9997 21.92883 -10.61420      33.40450 
1 1 1 9   2  36 o 135.8029 12.55254 551.3500       98.84399 535.9152       145.6029 564.5433       134.6157 132.1571 19.35976 136.3118 17.22256 -4.154755      25.91172 
1 1 1 9   2  37 o 100.5298 18.19067 312.6057       103.3021 126.9272       144.7011 505.5943       147.5220 70.85537 26.24057 127.8419 20.35791 -56.98653      33.21163 
1 1 1 9   2  38 o 332.0164 11.07275 3270.993       215.3066 3025.212       387.4706 3380.783       258.9683 314.4293 21.13466 336.7455 13.13798 -22.31619      24.88534 
1 1 1 9   2  39 o 187.6899 10.23362 1047.243       112.2211 984.2312       159.8942 1108.414       157.5413 180.4397 15.25222 191.9635 14.09166 -11.52383      20.76547 
1 1 1 9   2  40 o 85.40877 20.44503 233.8479       101.0468 177.9475       141.5136 291.9969       144.3316 76.42814 26.19756 94.22508 25.50153 -17.79694      36.56009 
1 1 1 9   2  41 o 75.12618 21.36990 182.3361       98.62256 141.0953       142.7131 220.0337       136.4447 70.73309 26.08397 82.04483 25.58927 -11.31174      36.54017 
1 1 1 9   2  42 o 152.5237 11.94556 703.0332       106.0030 647.1330       157.9295 748.8650       143.0014 142.9468 19.33331 155.7266 15.87964 -12.77980      25.01879 
1 1 1 9   2  43 o 51.08080 20.59721 47.44035       94.99960 89.75506       144.5152 15.23999       126.0661 63.67327 25.49774 52.77975 22.66528 10.89352       34.11524 
1 1 1 9   2  44 o 70.94102 21.11196 165.8345       94.33187 149.2529       142.9747 178.6170       125.5317 70.35117 26.07808 73.71545 24.67859 -3.364273      35.90403 
1 1 1 9   2  45 o 46.90345 19.90995 18.62818       95.28516 -2.497602      146.6422 34.06574       125.3551 53.91153 23.77267 54.00592 22.87686 -0.9439087E-01 32.99228 
1 1 1 9   2  46 o 160.9995 11.42763 789.3293       107.2011 806.8493       148.9784 770.5167       154.3762 159.9467 16.10055 155.5102 17.21457 4.436493       23.57051 
1 1 1 9   2  47 o 134.4254 14.48059 566.2953       112.3624 498.9068       161.8644 628.9704       156.1011 119.8379 23.86955 138.0807 19.84567 -18.24279      31.04201 
1 1 1 9   2  48 o 103.9078 20.40172 363.9355       119.8874 340.7290       176.6472 383.7527       163.2384 94.60262 29.05072 102.0696 26.89662 -7.466980      39.59005 
1 1 1 9   2  49 o 184.3942 13.96283 1062.752       149.8757 1171.379       209.9868 949.9527       213.9823 188.5727 19.25733 166.4964 22.48851 22.07631       29.60706 
1 1 1 9   2  50 o 156.4239 16.17974 785.2665       146.2910 781.1837       218.7304 788.5710       196.7797 146.2747 26.47126 150.5375 23.01889 -4.262817      35.07986 
1 1 1 9   3  0  o 750.8134 14.65290 16609.50       645.2174 16187.69       1090.287 16836.84       800.4240 737.3576 25.24953 754.9969 18.07692 -17.63928      31.05340 
1 1 1 9   3  1  o 831.5462 28.06529 20656.73       1366.733 20656.73       1366.733 0.000000       0.000000 831.5462 28.06529 ?        ?        0.000000       28.06529 
1 1 1 9   3  2  o 552.4281 13.98061 8994.061       452.5883 9048.815       641.9932 8939.962       638.1372 552.7086 19.83758 549.3696 19.83867 3.338989       28.05534 
1 1 1 9   3  3  o 482.6504 18.07981 6889.908       510.8679 6889.908       510.8679 0.000000       0.000000 482.6504 18.07981 ?        ?        0.000000       18.07981 
1 1 1 9   3  4  o 320.9217 15.42204 3042.530       289.4133 3042.530       289.4133 0.000000       0.000000 320.9217 15.42204 ?        ?        0.000000       15.42204 
1 1 1 9   3  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   3  7  o 830.5255 20.58740 20375.99       1002.778 20375.99       1002.778 0.000000       0.000000 830.5255 20.58740 ?        ?        0.000000       20.58740 
1 1 1 9   3  8  o 477.3182 13.58689 6704.887       379.9587 6704.887       379.9587 0.000000       0.000000 477.3182 13.58689 ?        ?        0.000000       13.58689 
1 1 1 9   3  9  o 656.6520 11.88392 12667.33       457.6625 12715.51       650.3241 12620.06       644.1848 657.0732 16.88985 654.6171 16.79312 2.456177       23.81755 
1 1 1 9   3  10 o 62.12936 22.22864 96.48396       102.5808 101.9745       143.4606 90.73974       146.7373 68.96110 26.00795 68.02506 26.14698 0.9360352      36.87923 
1 1 1 9   3  11 o 1167.965 16.19306 40107.54       1109.199 39191.73       1857.588 40615.00       1382.776 1151.699 27.50172 1174.501 20.07464 -22.80188      34.04902 
1 1 1 9   3  12 o 972.9537 23.79210 27908.37       1357.611 0.000000       0.000000 27908.37       1357.611 ?        ?        972.9537 23.79210 0.000000       23.79210 
1 1 1 9   3  13 o 1678.049 23.05545 82987.29       2268.970 76121.09       3427.227 88345.06       3027.448 1601.101 36.49839 1728.437 29.86570 -127.3361      47.16029 
1 1 1 9   3  14 o 1146.642 19.52929 38698.14       1313.302 37078.15       1745.766 40810.18       1993.339 1120.619 26.56302 1174.916 28.92835 -54.29749      39.27396 
1 1 1 9   3  15 o 581.1541 11.22618 9916.562       382.6255 9941.956       549.0147 9892.577       533.5452 581.2800 16.12009 579.8840 15.70288 1.395996       22.50418 
1 1 1 9   3  16 o 525.3331 7.909653 8098.058       243.6928 8087.843       345.0997 8108.219       344.1696 524.8244 11.21192 525.4879 11.16758 -0.6634521     15.82473 
1 1 1 9   3  17 o 758.1309 9.780198 16872.73       434.8529 16586.67       600.2505 17188.68       630.8387 751.2896 13.62306 764.7485 14.06531 -13.45892      19.58113 
1 1 1 9   3  18 o 506.3359 7.516090 7523.214       223.1933 7352.783       308.7348 7709.802       323.0368 500.3992 10.52007 512.3882 10.74985 -11.98901      15.04098 
1 1 1 9   3  19 o 258.0372 7.433435 1955.571       112.3750 2048.740       162.4154 1870.007       155.6452 263.9135 10.51441 252.1171 10.54978 11.79640       14.89466 
1 1 1 9   3  20 o 776.6124 9.769008 17712.91       444.9439 17982.13       641.8099 17463.79       617.3917 781.8665 13.99663 770.5719 13.66146 11.29456       19.55865 
1 1 1 9   3  21 o 470.5470 7.027217 6498.662       193.9264 6576.533       278.4531 6425.317       270.2381 473.1330 10.03502 467.6777 9.852567 5.455322       14.06324 
1 1 1 9   3  22 o 608.2889 8.089641 10865.42       288.5956 10929.65       410.9858 10802.95       405.3441 609.6507 11.49464 606.1204 11.40288 3.530273       16.19112 
1 1 1 9   3  23 o 298.3764 6.464087 2613.357       113.1155 2616.703       162.4258 2610.206       157.6213 298.2588 9.296983 297.9139 9.031826 0.3448486      12.96178 
1 1 1 9   3  24 o 833.4528 10.32520 20431.91       504.6960 21457.25       759.7333 19622.02       675.2147 852.5958 15.19384 815.6877 14.11456 36.90808       20.73822 
1 1 1 9   3  25 o 394.0497 8.983551 4565.325       207.6106 4871.184       342.4751 4387.623       261.0446 405.9433 14.40795 385.8015 11.55020 20.14172       18.46609 
1 1 1 9   3  26 o 276.7136 6.343842 2248.637       102.9517 2188.594       148.2424 2304.575       143.0857 272.6093 9.285727 279.8159 8.729813 -7.206635      12.74497 
1 1 1 9   3  27 o 118.5640 10.81420 417.5573       74.36968 421.6571       110.5111 414.1638       100.5434 118.1873 16.38358 117.3959 14.94134 0.7914352      22.17353 
1 1 1 9   3  28 o 88.29420 15.07113 237.1699       75.24310 201.4121       108.3191 270.5132       104.5981 80.72987 22.19274 93.55588 19.68777 -12.82601      29.66692 
1 1 1 9   3  29 o 83.95094 15.50627 215.4124       73.53380 214.4253       102.1036 216.4761       105.9903 83.08231 20.95954 83.47293 21.51490 -0.3906250     30.03653 
1 1 1 9   3  30 o 79.88527 22.98990 196.2313       113.4985 171.3553       128.3658 285.3478       242.9619 76.48682 24.92899 99.53392 34.31890 -23.04710      42.41747 
1 1 1 9   3  31 o 86.46481 18.58967 230.9695       91.46272 138.8124       131.0982 318.3639       127.6657 71.72318 25.18019 101.1861 22.13068 -29.46291      33.52326 
1 1 1 9   3  32 o 152.6653 11.30883 691.2001       100.5342 609.7350       139.8033 778.4425       144.6755 142.2553 17.09949 161.3183 15.48169 -19.06306      23.06676 
1 1 1 9   3  33 o 234.4744 7.974678 1619.144       109.5032 1803.831       167.9563 1482.597       144.4173 246.9195 11.63088 223.9082 11.03158 23.01131       16.03038 
1 1 1 9   3  34 o 316.2684 7.191438 2941.623       133.3896 3044.371       197.4173 2855.310       180.9406 321.0528 10.49887 311.0314 9.932037 10.02139       14.45240 
1 1 1 9   3  35 o 204.8236 8.881725 1238.751       106.4374 1118.355       153.7994 1349.414       147.4517 193.6730 13.62750 213.2375 11.83704 -19.56454      18.05060 
1 1 1 9   3  36 o 267.3881 7.667671 2107.102       120.1178 2049.928       168.0629 2166.806       171.7412 263.0549 10.91742 270.4793 10.84856 -7.424408      15.39095 
1 1 1 9   3  37 o 217.9920 8.921000 1404.458       113.8115 1297.281       159.0664 1516.876       162.9099 208.5507 13.07091 225.7702 12.35059 -17.21947      17.98293 
1 1 1 9   3  38 o 128.4427 13.68740 497.1118       101.5187 624.2592       145.3170 375.9030       141.8829 142.9215 17.71580 108.8409 22.95119 34.08055       28.99322 
1 1 1 9   3  39 o 83.52029 21.20294 222.2435       104.0247 157.0171       151.9698 279.7506       142.6942 74.91026 27.02413 92.95842 25.43898 -18.04816      37.11395 
1 1 1 9   3  40 o 83.48307 20.12694 223.2490       97.38494 262.2399       143.1217 189.6323       132.8927 89.42575 25.84107 77.69372 25.36756 11.73203       36.21152 
1 1 1 9   3  41 o 49.31139 20.41944 29.48752       96.47925 12.28036       140.8033 44.71652       132.4628 55.58395 23.91261 57.54510 23.88621 -1.961155      33.79888 
1 1 1 9   3  42 o 159.0277 11.52711 762.5197       106.7790 615.7133       150.9977 909.3671       151.0188 139.5650 18.93573 172.1078 15.11503 -32.54282      24.22862 
1 1 1 9   3  43 o 108.9294 16.10386 371.9650       99.78194 389.0828       149.8724 358.3362       133.7293 107.4144 24.35412 103.8696 22.59688 3.544807       33.22261 
1 1 1 9   3  44 o 97.36355 17.85024 304.8854       98.17237 459.6890       147.4145 181.5130       131.6008 117.5870 22.18950 74.32690 25.26822 43.26013       33.62822 
1 1 1 9   3  45 o 144.4675 11.73617 635.7997       98.58107 788.4018       150.5176 521.1684       130.4544 158.2572 16.45717 127.5687 17.93094 30.68848       24.33839 
1 1 1 9   3  46 o 53.36175 21.20440 64.31402       99.18155 87.31250       145.4752 44.33920       135.5753 62.12170 25.32708 56.26146 23.80985 5.860233       34.76162 
1 1 1 9   3  47 o 81.90665 22.08218 231.6611       108.4725 231.9000       166.7053 231.4857       142.8494 80.47971 28.38298 80.51904 26.30139 -0.3932953E-01 38.69569 
1 1 1 9   3  48 o 101.7941 20.22308 349.0724       116.4750 311.6383       162.3686 388.7569       167.1778 91.27367 27.81820 102.3477 27.33525 -11.07406      39.00088 
1 1 1 9   3  49 o 90.23872 26.72548 303.2793       151.4574 336.8344       186.3579 237.9921       259.9458 92.76304 30.02213 81.82497 33.66369 10.93807       45.10624 
1 1 1 9   3  50 o 61.47750 26.10692 75.85397       163.9431 55.56298       235.6344 94.89201       228.2434 66.53101 29.69029 68.62031 29.97548 -2.089302      42.19055 
1 1 1 9   4  0  o 961.7219 22.47522 27430.50       1267.663 28807.64       1862.101 26241.00       1730.606 979.0977 32.47341 935.0158 31.60482 44.08191       45.31432 
1 1 1 9   4  1  o 420.9233 11.72421 5215.458       289.1437 5206.174       402.9890 5225.308       415.1018 419.7810 16.40047 420.4624 16.86783 -0.6813965     23.52656 
1 1 1 9   4  2  o 109.9875 16.41360 364.5408       102.6403 444.1933       142.9698 279.8245       147.4443 120.8108 20.93673 95.39243 25.75694 25.41838       33.19287 
1 1 1 9   4  3  o 289.3876 14.48619 2472.996       245.0763 2472.996       245.0763 0.000000       0.000000 289.3876 14.48619 ?        ?        0.000000       14.48619 
1 1 1 9   4  4  o 169.9939 17.36162 861.5103       170.6631 861.5103       170.6631 0.000000       0.000000 169.9939 17.36162 ?        ?        0.000000       17.36162 
1 1 1 9   4  5  o 40.61199 19.55707 -209.6314      137.8570 -209.6314      137.8570 0.000000       0.000000 40.61199 19.55707 ?        ?        0.000000       19.55707 
1 1 1 9   4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   4  7  o 267.1762 13.38052 2104.483       208.9955 2104.483       208.9955 0.000000       0.000000 267.1762 13.38052 ?        ?        0.000000       13.38052 
1 1 1 9   4  8  o 118.5458 23.22748 429.3535       155.7094 429.3535       155.7094 0.000000       0.000000 118.5458 23.22748 ?        ?        0.000000       23.22748 
1 1 1 9   4  9  o 169.0005 11.28860 842.5429       111.2452 811.7922       155.2834 874.9654       159.4484 165.3338 16.22312 171.7313 16.01611 -6.397491      22.79705 
1 1 1 9   4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   4  11 f 308.8046 7.280550 2797.784       131.8556 2644.686       221.4309 2881.895       164.1266 299.8161 12.62133 313.2433 8.943170 -13.42725      15.46863 
1 1 1 9   4  12 o 742.7615 10.84511 16195.81       472.4262 16650.34       843.4916 15988.06       570.2630 751.9869 19.14138 737.7866 13.17935 14.20032       23.23978 
1 1 1 9   4  13 o 238.4876 8.161794 1670.843       113.9886 1740.512       205.0836 1639.698       137.1199 242.9589 14.45826 236.1488 9.922777 6.810104       17.53576 
1 1 1 9   4  14 o 961.5828 11.76826 27151.15       663.6659 27097.19       936.9819 27205.48       940.1567 959.9706 16.64266 961.8832 16.66585 -1.912659      23.55268 
1 1 1 9   4  15 o 422.0598 10.11858 5229.114       250.4634 4879.146       350.2731 5595.265       358.2801 407.1901 14.69168 436.1501 14.02494 -28.95999      20.31119 
1 1 1 9   4  16 o 513.2674 7.932926 7730.461       238.7963 8181.936       354.9847 7357.298       322.7324 527.8458 11.46706 500.5683 10.99332 27.27750       15.88542 
1 1 1 9   4  17 o 686.2222 9.090108 13821.96       365.8342 13627.55       507.4218 14032.39       527.9223 681.0659 12.70368 691.0749 13.02550 -10.00897      18.19470 
1 1 1 9   4  18 o 246.4932 8.192163 1785.163       118.2634 1703.029       170.8694 1860.688       163.8507 240.4605 12.15573 251.4559 11.13819 -10.99544      16.48700 
1 1 1 9   4  19 o 106.4777 15.58786 340.6008       94.45813 196.0178       142.3049 454.4759       126.2920 82.19167 26.19974 122.9216 18.05631 -40.72993      31.81912 
1 1 1 9   4  20 f 350.0042 6.851388 3595.032       140.6379 3615.532       201.2098 3575.450       196.6525 350.7235 9.791721 348.7866 9.622864 1.936951       13.72870 
1 1 1 9   4  21 o 718.0060 9.170905 15141.63       386.1809 15039.08       541.4200 15247.84       550.9902 715.0084 12.91138 719.9294 13.04979 -4.921021      18.35758 
1 1 1 9   4  22 o 373.1349 6.622084 4086.668       144.9143 4098.782       208.6387 4075.377       201.4308 373.3742 9.535765 372.4512 9.221593 0.9230042      13.26532 
1 1 1 9   4  23 o 518.6237 7.265395 7897.849       220.9847 7998.570       317.4279 7803.125       307.8320 521.5561 10.37752 515.1700 10.18856 6.386108       14.54303 
1 1 1 9   4  24 o 199.8489 8.747061 1176.052       102.2731 1620.085       229.1001 1065.540       114.2936 233.4840 16.84405 190.0505 10.29262 43.43355       19.73981 
1 1 1 9   4  25 f 67.60505 17.53336 140.4336       70.09719 97.03598       105.6737 174.5337       93.67253 62.33218 22.52848 75.40700 20.60114 -13.07482      30.52769 
1 1 1 9   4  26 o 283.9895 6.358943 2368.521       105.9102 2212.951       148.1439 2531.157       151.4707 274.1234 9.227982 293.2436 8.817457 -19.12012      12.76335 
1 1 1 9   4  27 o 57.03436 19.03755 91.56997       74.71037 167.5750       115.5367 36.95070       97.94262 75.04083 23.56825 51.85624 20.91243 23.18459       31.50860 
1 1 1 9   4  28 o 233.3724 7.015293 1601.987       95.90748 1659.490       139.3964 1550.299       132.1600 237.1487 10.04535 229.2273 9.853687 7.921463       14.07140 
1 1 1 9   4  29 o 97.74342 13.74567 287.9843       76.62201 313.2342       111.1092 265.0876       105.8051 100.8354 19.49355 92.49646 20.08133 8.338905       27.98675 
1 1 1 9   4  30 o 65.50027 24.01474 105.4572       120.6829 4.390129       138.0669 432.7016       248.4396 56.09882 23.89531 116.9712 34.11828 -60.87241      41.65384 
1 1 1 9   4  31 f 197.4280 9.756607 1150.713       112.6187 1120.669       170.8911 1173.778       149.7320 193.9056 15.14732 198.9060 12.90527 -5.000336      19.89944 
1 1 1 9   4  32 o 136.4829 12.70647 554.9988       100.5393 466.9859       140.7597 646.6663       143.6524 123.5319 20.12080 146.5673 17.02851 -23.03544      26.35938 
1 1 1 9   4  33 o 117.6675 13.77368 415.3212       93.25447 291.3119       134.4657 530.2361       129.4412 96.43003 23.89837 132.4576 17.05830 -36.02760      29.36184 
1 1 1 9   4  34 f 368.8310 7.246178 4000.971       156.7426 3969.067       228.2765 4029.430       215.6011 366.5810 10.62917 369.5222 9.957628 -2.941162      14.56481 
1 1 1 9   4  35 o 178.7711 9.962355 946.1188       104.0372 938.4030       152.9169 952.7682       141.9555 177.0169 14.86681 178.6648 13.65098 -1.647873      20.18344 
1 1 1 9   4  36 o 252.8794 7.696723 1884.987       114.0155 1952.342       160.3402 1816.094       162.1598 256.7527 10.67148 247.4906 11.20111 9.262039       15.47079 
1 1 1 9   4  37 o 60.91862 21.14491 102.8924       92.29575 325.1962       130.5900 -118.9753      130.4619 101.4390 22.53656 43.78843 20.46904 57.65057       30.44468 
1 1 1 9   4  38 o 239.1565 8.217938 1689.441       115.0933 1666.262       165.5745 1711.112       160.0966 236.5487 11.97394 239.8854 11.41235 -3.336731      16.54137 
1 1 1 9   4  39 o 43.33814 19.05960 -18.90648      93.67963 -108.4976      141.6210 50.79181       124.9126 46.58646 21.62499 57.77571 23.50119 -11.18925      31.93660 
1 1 1 9   4  40 o 123.8824 13.92383 467.0274       99.41297 407.2706       148.3400 515.7472       133.9422 112.0663 23.32962 128.6701 18.26199 -16.60378      29.62721 
1 1 1 9   4  41 o 81.20647 20.51985 213.7988       97.75086 130.9870       141.3571 289.6899       135.3215 69.17701 25.87404 93.36589 24.43422 -24.18888      35.58788 
1 1 1 9   4  42 o 162.9534 10.57375 797.1727       100.5059 631.6488       137.1411 989.2217       147.7214 142.4543 16.73375 180.0366 14.10295 -37.58224      21.88404 
1 1 1 9   4  43 o 126.0753 13.59414 487.9182       98.92829 420.2489       139.3864 556.6053       140.4309 113.0720 21.80948 132.3256 18.60880 -19.25362      28.66951 
1 1 1 9   4  44 o 65.16678 21.69720 135.1682       97.05476 80.40124       145.0820 179.5294       130.5738 62.07230 25.29814 73.94021 25.16891 -11.86791      35.68571 
1 1 1 9   4  45 o 45.24343 19.48478 7.792462       93.67750 38.66776       142.5269 -15.68951      124.2964 57.02466 24.28354 48.85698 21.69785 8.167683       32.56512 
1 1 1 9   4  46 o 110.4863 15.72150 387.1401       99.00014 429.2576       152.6823 356.5873       130.0418 111.2409 24.10100 102.2647 22.31130 8.976166       32.84284 
1 1 1 9   4  47 o 72.84524 22.81697 182.1482       108.3614 181.4982       168.0935 182.6104       141.7456 74.16354 28.11129 73.32245 26.14128 0.8410873      38.38765 
1 1 1 9   4  48 o 57.90834 22.66732 89.03394       111.8214 52.41243       160.4062 123.6561       155.9660 59.56963 25.57358 66.31894 26.51181 -6.749310      36.83591 
1 1 1 9   4  49 o 85.44238 26.03754 268.7797       142.2534 204.2929       189.7031 351.6275       215.0205 76.59024 29.65238 93.12150 32.27678 -16.53126      43.82983 
1 1 1 9   5  0  o 775.6453 18.40576 17773.05       837.2737 17589.25       1173.448 17963.68       1195.014 768.3533 26.07849 776.4016 26.28226 -8.048218      37.02491 
1 1 1 9   5  1  o 504.2491 13.01587 7488.510       384.5968 7854.440       558.9001 7159.383       530.0499 515.2973 18.52392 491.9673 18.40332 23.32996       26.11164 
1 1 1 9   5  2  o 221.8396 14.25423 1455.306       184.4713 1455.306       184.4713 0.000000       0.000000 221.8396 14.25423 ?        ?        0.000000       14.25423 
1 1 1 9   5  3  o 467.8121 12.45864 6442.825       341.5120 6761.352       495.1548 6153.828       471.6443 478.3000 17.68228 456.2810 17.65844 22.01907       24.98967 
1 1 1 9   5  4  o 345.9895 14.99566 3532.431       303.5614 3532.431       303.5614 0.000000       0.000000 345.9895 14.99566 ?        ?        0.000000       14.99566 
1 1 1 9   5  5  o 272.5635 14.91072 2193.891       237.4430 2193.891       237.4430 0.000000       0.000000 272.5635 14.91072 ?        ?        0.000000       14.91072 
1 1 1 9   5  6  o 304.8491 9.921835 2732.493       177.1530 2732.493       177.1530 0.000000       0.000000 304.8491 9.921835 ?        ?        0.000000       9.921835 
1 1 1 9   5  7  o 478.6815 13.61394 6742.900       381.8033 6742.900       381.8033 0.000000       0.000000 478.6815 13.61394 ?        ?        0.000000       13.61394 
1 1 1 9   5  8  o 241.0038 12.91870 1711.740       181.9295 1711.740       181.9295 0.000000       0.000000 241.0038 12.91870 ?        ?        0.000000       12.91870 
1 1 1 9   5  9  f 274.6190 8.549159 2215.447       137.5230 2287.031       200.5716 2151.935       188.9243 278.7621 12.29860 270.4160 11.94200 8.346039       17.14255 
1 1 1 9   5  10 f 366.3937 7.296190 3938.693       156.7814 3918.225       262.9898 3949.977       195.2755 365.0520 12.30140 366.8638 9.075959 -1.811798      15.28717 
1 1 1 9   5  11 o 314.1850 11.17988 2901.727       205.6745 0.000000       0.000000 2901.727       205.6745 ?        ?        314.1850 11.17988 0.000000       11.17988 
1 1 1 9   5  12 o 442.4981 7.711866 5744.963       200.1343 6075.690       365.7423 5603.609       239.1085 454.5736 13.73469 436.9636 9.330379 17.61002       16.60415 
1 1 1 9   5  13 o 496.5045 9.898361 7235.657       288.2286 7452.019       429.0957 7057.777       389.0708 503.3881 14.54979 489.9746 13.55258 13.41348       19.88388 
1 1 1 9   5  14 o 1464.401 24.73807 63271.01       2124.596 60850.30       2837.130 66361.70       3205.800 1432.336 33.77411 1494.331 36.57962 -61.99463      49.78714 
1 1 1 9   5  15 o 340.1770 8.767086 3398.356       174.7626 3309.245       304.9403 3441.939       213.2598 335.1497 15.55650 342.2348 10.63805 -7.085052      18.84603 
1 1 1 9   5  16 o 566.9306 11.33239 9438.465       376.7922 9431.606       548.1041 9444.610       518.8295 566.0300 16.52869 566.5364 15.63009 -0.5064697     22.74857 
1 1 1 9   5  17 o 417.4427 7.484613 5113.352       183.2385 4930.771       252.6647 5315.921       266.1365 409.6532 10.52538 425.3499 10.67704 -15.69672      14.99276 
1 1 1 9   5  18 f 592.9054 8.159167 10317.33       283.7146 10047.89       387.1402 10629.91       416.9864 584.8813 11.28626 601.5342 11.81982 -16.65283      16.34282 
1 1 1 9   5  19 o 344.1456 6.902793 3475.439       139.3213 3351.765       196.0486 3601.622       198.0265 337.6965 9.909609 350.0875 9.654084 -12.39096      13.83480 
1 1 1 9   5  20 o 553.6718 7.697296 8998.444       249.9431 9113.366       359.7117 8891.162       347.5479 556.8995 11.01355 550.0931 10.77278 6.806396       15.40620 
1 1 1 9   5  21 o 450.5405 7.004759 5958.116       185.0877 6162.082       272.7885 5784.111       251.9578 457.9428 10.15697 443.7172 9.682132 14.22568       14.03238 
1 1 1 9   5  22 o 421.4742 6.676361 5214.370       165.0294 5224.700       235.5193 5204.405       231.3113 421.6711 9.523623 420.8650 9.371379 0.8060913      13.36122 
1 1 1 9   5  23 o 555.4200 8.803843 9064.636       286.7770 9242.802       517.3364 8985.603       344.5620 559.3716 15.78544 552.7355 10.62917 6.636108       19.03049 
1 1 1 9   5  24 o 446.1012 6.679625 5843.535       174.7576 6037.882       258.0637 5678.922       237.5036 453.1175 9.711036 439.5045 9.214173 13.61298       13.38675 
1 1 1 9   5  25 o 280.4155 6.406670 2309.061       105.3622 2582.876       167.7521 2130.672       135.4015 296.1538 9.671259 269.0790 8.591123 27.07477       12.93602 
1 1 1 9   5  26 o 189.5860 7.203537 1057.570       79.94880 1020.486       119.4675 1087.647       107.5920 185.8009 11.01296 192.0194 9.584272 -6.218506      14.59944 
1 1 1 9   5  27 o 190.3549 7.551183 1066.763       84.13314 1236.549       130.6237 946.3913       109.9849 204.5491 10.92831 178.9268 10.52763 25.62231       15.17429 
1 1 1 9   5  28 o 230.4509 7.039961 1562.229       95.03632 1822.861       147.6142 1377.717       124.2011 248.5472 10.14806 216.0670 9.827094 32.48024       14.12639 
1 1 1 9   5  29 o 369.1906 8.137332 4009.185       176.1908 4039.128       209.4965 3936.822       325.6737 370.2107 9.657134 364.1246 15.28442 6.086090       18.07965 
1 1 1 9   5  30 o 168.3506 9.819251 837.5991       96.52824 806.6781       139.3723 866.1056       133.8200 164.4218 14.60509 170.6255 13.48243 -6.203735      19.87673 
1 1 1 9   5  31 o 368.1721 7.218677 3984.333       155.8687 4024.533       225.1578 3947.339       215.9912 369.4083 10.40309 365.9105 10.07452 3.497833       14.48172 
1 1 1 9   5  32 o 410.4966 7.395125 4954.030       178.0351 5260.265       259.9695 4683.558       244.3181 422.4435 10.49309 398.4851 10.46331 23.95834       14.81842 
1 1 1 9   5  33 o 380.1321 7.072023 4248.263       157.6626 4241.141       225.2792 4255.100       220.7277 379.1641 10.13989 379.8374 9.916999 -0.6733093     14.18324 
1 1 1 9   5  34 o 66.07578 21.67799 126.9492       96.99438 99.28443       152.6727 145.6722       125.5984 68.84717 26.61572 71.94601 24.67988 -3.098839      36.29729 
1 1 1 9   5  35 o 174.4905 10.24727 902.1104       104.4034 1092.322       162.8951 769.5007       136.0121 191.1027 14.64580 160.2117 14.63698 30.89096       20.70605 
1 1 1 9   5  36 o 130.9932 12.36709 513.1948       93.88485 546.3933       133.6534 480.8567       131.9102 133.9684 17.42326 125.2430 18.51607 8.725464       25.42469 
1 1 1 9   5  37 o 286.7014 7.376520 2422.459       123.9285 2350.819       172.7703 2498.385       177.8633 281.7109 10.47543 290.4341 10.45918 -8.723206      14.80301 
1 1 1 9   5  38 o 140.8519 12.33884 594.2923       100.8983 555.1128       147.3571 628.8751       138.4432 134.0674 19.29625 143.6939 16.74111 -9.626556      25.54623 
1 1 1 9   5  39 f 135.3667 12.81109 551.8132       100.4963 523.5009       153.2036 573.1970       133.1446 129.0619 20.95882 136.6773 16.97496 -7.615372      26.97075 
1 1 1 9   5  40 o 84.45412 19.77219 228.5115       96.19472 237.3351       144.4765 221.4850       128.9272 85.31791 26.28577 82.59290 24.70604 2.725006       36.07395 
1 1 1 9   5  41 o 42.99950 19.09530 -23.91866      96.25228 152.2686       142.2421 -172.7370      130.7282 72.07170 26.12511 39.85522 19.15467 32.21648       32.39480 
1 1 1 9   5  42 o 100.7983 17.37718 321.4101       99.01791 238.7405       138.6435 407.4776       141.4641 84.41928 25.70090 111.3904 22.43122 -26.97112      34.11298 
1 1 1 9   5  43 o 45.33149 19.52412 4.763511       94.06931 13.41747       135.4463 -3.300280      130.7463 54.10546 23.36617 51.69635 22.63244 2.409107       32.53008 
1 1 1 9   5  44 o 54.30527 20.86527 73.34557       93.41727 61.36335       141.9236 82.50558       124.0892 59.55606 24.72302 59.67743 23.71670 -0.1213684     34.25945 
1 1 1 9   5  45 o 51.16005 20.49455 53.74603       93.40182 61.08681       140.3368 47.90855       125.1450 58.97926 24.54243 55.39991 23.12407 3.579342       33.72022 
1 1 1 9   5  46 o 63.51171 21.68639 129.4470       96.95219 111.1197       150.5338 142.4381       126.7385 65.20813 26.05332 67.31547 24.62120 -2.107338      35.84661 
1 1 1 9   5  47 o 31.87053 15.60714 -170.4721      98.18610 -69.62405      149.8680 -246.3094      129.9621 48.60988 22.45250 35.33849 17.43287 13.27139       28.42569 
1 1 1 9   5  48 o 100.4798 19.51167 337.9453       110.8344 9.200841       163.0398 620.3948       151.1245 56.17265 24.90384 137.0216 19.34339 -80.84895      31.53360 
1 1 1 9   5  49 o 48.66380 20.77332 25.38348       104.7466 58.90398       107.7801 -545.0880      444.6316 53.19540 21.75744 63.35572 31.43098 -10.16032      38.22686 
1 1 1 9   6  0  o 747.3506 17.80386 16487.19       780.3491 16829.86       1118.193 16161.85       1089.526 752.1063 25.38691 737.0729 25.24167 15.03333       35.79996 
1 1 1 9   6  1  o 472.8879 12.42664 6582.844       344.3387 7266.547       514.1295 6026.683       463.7021 495.8891 17.70659 451.5811 17.54202 44.30798       24.92481 
1 1 1 9   6  2  o 317.6572 10.32230 2968.363       192.0475 3308.258       277.8762 2657.548       265.7236 334.9152 14.17913 299.9792 15.15295 34.93600       20.75234 
1 1 1 9   6  3  o 508.2025 13.08703 7603.295       389.7327 7758.650       554.9636 7452.121       547.4438 512.3739 18.49866 502.1108 18.62270 10.26306       26.24891 
1 1 1 9   6  4  o 374.3821 15.27417 4134.283       334.6650 4134.283       334.6650 0.000000       0.000000 374.3821 15.27417 ?        ?        0.000000       15.27417 
1 1 1 9   6  5  o 275.1667 14.28864 2233.736       229.7984 2233.736       229.7984 0.000000       0.000000 275.1667 14.28864 ?        ?        0.000000       14.28864 
1 1 1 9   6  6  o 120.6432 16.23999 436.1036       111.9894 436.1036       111.9894 0.000000       0.000000 120.6432 16.23999 ?        ?        0.000000       16.23999 
1 1 1 9   6  7  o 246.9560 10.01081 1793.677       144.6898 1793.677       144.6898 0.000000       0.000000 246.9560 10.01081 ?        ?        0.000000       10.01081 
1 1 1 9   6  8  o 71.80499 27.19031 108.9843       157.1673 108.9843       157.1673 0.000000       0.000000 71.80499 27.19031 ?        ?        0.000000       27.19031 
1 1 1 9   6  9  o 251.6016 12.87187 1864.370       189.3040 1864.370       189.3040 0.000000       0.000000 251.6016 12.87187 ?        ?        0.000000       12.87187 
1 1 1 9   6  10 o 1166.684 16.17315 40016.45       1106.620 41420.31       2007.383 39403.54       1326.368 1183.655 28.91709 1157.034 19.54642 26.62061       34.90359 
1 1 1 9   6  11 f 891.8065 12.62558 23357.09       660.3476 24691.07       1228.689 22815.29       783.0505 915.0525 22.91327 881.1091 15.15338 33.94342       27.47077 
1 1 1 9   6  12 o 1170.189 16.21991 40255.35       1113.154 41572.00       2015.731 39677.64       1335.214 1185.915 28.98201 1161.090 19.60804 24.82471       34.99189 
1 1 1 9   6  13 o 519.4539 15.60698 7938.609       474.9235 0.000000       0.000000 7938.609       474.9235 ?        ?        519.4539 15.60698 0.000000       15.60698 
1 1 1 9   6  14 o 811.9559 11.80297 19360.04       562.0491 18416.05       911.0584 19940.07       714.1423 790.9141 19.64113 823.6944 14.78319 -32.78033      24.58285 
1 1 1 9   6  15 o 1076.311 18.54221 34095.55       1170.442 32851.27       1578.641 35614.56       1744.228 1054.755 25.52004 1097.735 27.09289 -42.98035      37.21958 
1 1 1 9   6  16 o 377.0439 8.918036 4172.538       197.2022 4049.783       353.0788 4228.192       237.7391 370.7086 16.27979 379.3242 10.69728 -8.615570      19.47982 
1 1 1 9   6  17 o 672.0842 8.898680 13258.47       350.7517 12809.61       475.6447 13793.51       519.3010 660.3170 12.28230 685.1387 12.92379 -24.82172      17.82917 
1 1 1 9   6  18 o 523.3019 7.606118 8036.440       233.4350 7846.183       321.2909 8249.168       339.7345 516.8807 10.59882 529.9627 10.93059 -13.08197      15.22540 
1 1 1 9   6  19 o 902.4639 11.11489 23928.34       588.2822 23785.56       824.3430 24076.52       839.7851 898.9252 15.63630 904.3632 15.83342 -5.437927      22.25289 
1 1 1 9   6  20 o 127.1783 12.59513 480.2643       92.71080 473.8592       147.6899 484.4297       119.1007 124.9870 20.88452 127.1971 16.34284 -2.210129      26.51889 
1 1 1 9   6  21 f 252.2095 7.166801 1868.759       105.9002 2044.954       163.9756 1742.684       138.7069 263.5573 10.63030 243.3486 9.738604 20.20871       14.41678 
1 1 1 9   6  22 o 435.9890 7.829538 5582.173       200.1991 5601.849       362.2929 5573.523       240.2042 435.8054 14.19372 435.5109 9.404398 0.2945251      17.02658 
1 1 1 9   6  23 o 273.7662 6.518246 2200.326       104.6553 2121.477       152.1437 2271.144       144.1865 268.4547 9.679296 277.8595 8.859400 -9.404785      13.12165 
1 1 1 9   6  24 o 189.9759 7.769090 1062.096       86.37776 1069.222       135.9180 1057.268       111.8753 190.1134 12.25557 189.3091 10.11326 0.8043060      15.88953 
1 1 1 9   6  25 o 223.8468 6.938151 1473.236       90.97469 1589.557       142.5079 1393.224       118.1922 232.1401 10.49452 217.4451 9.289458 14.69495       14.01532 
1 1 1 9   6  26 o 475.4537 7.790389 6644.459       217.2291 7335.882       301.7646 5900.793       312.9576 499.1389 10.30852 447.1911 11.94348 51.94775       15.77695 
1 1 1 9   6  27 o 272.8743 7.171566 2189.806       114.6702 2151.408       181.5296 2215.301       147.9191 269.8553 11.49641 274.2023 9.211271 -4.347015      14.73143 
1 1 1 9   6  28 f 234.2596 7.023699 1614.271       96.38801 1554.145       145.7234 1661.038       128.5184 229.3476 10.86478 237.3616 9.249890 -8.013947      14.26899 
1 1 1 9   6  29 o 260.9388 6.970383 2002.576       106.5754 2125.822       157.9910 1899.665       144.3691 268.4306 10.05351 253.7816 9.717773 14.64896       13.98243 
1 1 1 9   6  30 o 262.3935 7.182216 2025.270       110.4214 2044.357       161.0542 2008.339       151.6855 263.1708 10.45560 260.9227 9.930592 2.248077       14.42000 
1 1 1 9   6  31 o 184.1211 10.77807 1002.738       115.8756 1252.576       160.3871 729.9365       167.5962 205.4117 13.38647 155.4571 18.76139 49.95457       23.04751 
1 1 1 9   6  32 o 221.4827 8.898438 1446.219       115.3504 1410.937       164.3472 1480.476       161.9397 218.1131 12.90552 223.5362 12.40110 -5.423126      17.89804 
1 1 1 9   6  33 o 156.6892 11.26803 728.4630       102.8556 908.5039       160.4328 602.8181       134.0231 174.1598 15.88161 141.4520 16.46278 32.70779       22.87462 
1 1 1 9   6  34 o 315.5566 7.486746 2929.658       138.5546 3021.504       208.6538 2857.215       185.3086 319.6310 11.14788 311.0319 10.17243 8.599121       15.09150 
1 1 1 9   6  35 o 132.8889 12.96371 528.5511       99.75104 623.9355       157.1396 464.1731       129.0970 142.8960 19.23894 123.1360 18.44334 19.76002       26.65134 
1 1 1 9   6  36 o 213.0180 8.738992 1340.433       108.9444 1561.728       173.4491 1196.243       140.0084 228.9867 12.96851 200.5606 11.95732 28.42613       17.63972 
1 1 1 9   6  37 o 71.24297 20.58419 157.6432       90.81924 37.65460       134.7561 257.4995       122.9323 58.39474 24.15210 90.06591 23.14823 -31.67117      33.45391 
1 1 1 9   6  38 o 155.2346 11.38290 719.0666       102.9110 769.5598       154.6201 678.9098       137.8889 159.0471 16.83147 149.5626 15.96678 9.484482       23.19992 
1 1 1 9   6  39 o 205.2155 9.230465 1249.637       110.8080 1338.770       165.2876 1176.877       149.3361 211.0637 13.42246 198.0157 12.92994 13.04800       18.63722 
1 1 1 9   6  40 o 104.6475 16.36985 340.3622       97.17707 252.3284       148.0019 407.0763       128.8403 87.54184 26.53420 113.1628 20.15210 -25.62091      33.31923 
1 1 1 9   6  41 o 68.38985 21.31054 148.4237       94.65379 43.26009       146.0810 224.5280       124.2699 59.37890 24.89806 82.50477 24.14839 -23.12587      34.68512 
1 1 1 9   6  42 o 240.8308 8.293608 1723.891       116.9654 1824.675       174.7773 1642.141       157.4106 245.9065 12.15662 233.5887 11.52590 12.31776       16.75201 
1 1 1 9   6  43 o 80.80341 24.06525 219.6275       122.5329 243.2360       319.6933 215.5621       132.6643 90.41982 37.27970 80.08473 25.26878 10.33508       45.03651 
1 1 1 9   6  44 o 69.79294 21.03737 160.5527       93.21603 127.3179       140.5763 186.6340       124.5319 67.11179 25.64331 74.80563 24.56441 -7.693848      35.51042 
1 1 1 9   6  45 o 67.22730 21.16017 148.6941       93.08389 238.6254       141.7419 80.49795       123.4306 82.61142 26.12583 58.99678 23.58489 23.61464       35.19668 
1 1 1 9   6  46 o 121.1170 15.09062 462.0062       104.8734 311.0960       160.9282 573.4048       138.2651 92.24593 27.60447 133.1645 18.17818 -40.91856      33.05228 
1 1 1 9   6  47 o 108.9026 16.35927 380.6129       101.2583 440.0923       158.0704 339.2191       131.8667 111.4937 24.81316 98.61237 23.19248 12.88133       33.96445 
1 1 1 9   6  48 o 128.8943 15.25682 527.3568       113.0981 564.3145       117.3615 46.22829       423.4520 133.3638 15.28066 78.96633 36.90133 54.39750       39.94004 
1 1 1 9   6  49 o 60.17270 22.94044 106.4731       112.3416 120.5101       116.2040 -94.21827      439.3871 62.51414 23.44339 74.42189 35.59426 -11.90775      42.62094 
1 1 1 9   7  0  o 588.5400 14.51466 10197.66       500.9948 10658.01       726.6701 9780.604       691.6536 600.1053 20.67800 574.8773 20.54765 25.22803       29.15108 
1 1 1 9   7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   7  2  o 416.2076 11.46568 5095.646       279.6060 5244.609       394.3813 4945.101       396.4720 421.6372 15.97767 409.3126 16.55021 12.32465       23.00424 
1 1 1 9   7  3  o 307.0142 10.07142 2771.733       181.0971 2826.172       252.3475 2713.921       260.0460 309.6265 13.93235 303.3154 14.66201 6.311127       20.22585 
1 1 1 9   7  4  o 467.8103 12.34138 6437.310       338.3019 6444.341       474.9043 6430.065       482.0378 467.3613 17.35633 466.7960 17.63947 0.5653381      24.74658 
1 1 1 9   7  5  o 145.8483 12.77849 630.0056       108.1997 630.0056       108.1997 0.000000       0.000000 145.8483 12.77849 ?        ?        0.000000       12.77849 
1 1 1 9   7  6  o 395.5478 10.17326 4597.193       235.8027 4597.193       235.8027 0.000000       0.000000 395.5478 10.17326 ?        ?        0.000000       10.17326 
1 1 1 9   7  7  o 461.5634 10.92255 6255.957       295.6691 6255.957       295.6691 0.000000       0.000000 461.5634 10.92255 ?        ?        0.000000       10.92255 
1 1 1 9   7  8  o 1031.092 19.78077 31306.16       1196.165 31306.16       1196.165 0.000000       0.000000 1031.092 19.78077 ?        ?        0.000000       19.78077 
1 1 1 9   7  9  o 635.9755 16.54384 11900.73       616.5356 11900.73       616.5356 0.000000       0.000000 635.9755 16.54384 ?        ?        0.000000       16.54384 
1 1 1 9   7  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   7  11 o 1146.019 27.58476 38791.39       1854.009 0.000000       0.000000 38791.39       1854.009 ?        ?        1146.019 27.58476 0.000000       27.58476 
1 1 1 9   7  12 o 921.6901 16.01660 24973.13       865.7764 23904.73       1146.931 26388.35       1320.018 900.8202 21.70945 945.7261 23.81825 -44.90594      32.22746 
1 1 1 9   7  13 o 395.7570 9.501413 4596.987       220.5298 4940.345       353.2805 4377.769       282.2828 409.7467 14.72517 385.8765 12.48987 23.87021       19.30874 
1 1 1 9   7  14 o 1033.998 17.80491 31456.29       1079.718 30804.62       1489.342 32178.20       1567.563 1021.621 24.85732 1043.944 25.60338 -22.32294      35.68500 
1 1 1 9   7  15 o 351.7437 10.38914 3635.551       214.0820 3945.743       350.1255 3450.336       270.5488 365.9161 16.35652 342.4104 13.49895 23.50568       21.20748 
1 1 1 9   7  16 o 646.8812 12.14689 12292.21       460.8292 12867.67       708.0710 11869.35       606.9698 660.8685 18.28643 635.0039 16.31173 25.86456       24.50440 
1 1 1 9   7  17 o 265.6827 8.015389 2073.475       124.7503 1945.863       185.6984 2178.435       168.4126 257.0536 12.35399 272.1606 10.57123 -15.10699      16.25952 
1 1 1 9   7  18 o 860.4846 10.67855 21747.67       538.8972 21551.02       751.6642 21955.65       773.0157 855.9139 14.97419 863.8589 15.25791 -7.945068      21.37826 
1 1 1 9   7  19 o 80.10148 19.23319 196.8647       89.21004 385.8903       142.9544 76.30018       114.1687 112.2926 22.49157 60.78088 23.13727 51.51170       32.26769 
1 1 1 9   7  20 o 536.5989 7.582736 8452.671       238.6307 8439.303       338.3521 8465.901       336.6041 535.8777 10.76596 536.7294 10.69334 -0.8516846     15.17411 
1 1 1 9   7  21 o 293.0137 6.785245 2520.169       116.6014 2798.058       183.8745 2333.261       150.7996 308.3869 10.18054 281.6768 9.140582 26.71002       13.68187 
1 1 1 9   7  22 o 41.82045 17.77812 0.6454169      76.16212 -10.81489      127.0451 7.074708       95.15709 52.64509 22.68197 47.47105 20.01126 5.174042       30.24768 
1 1 1 9   7  23 o 566.1588 7.675156 9415.275       254.8449 9230.411       352.8260 9616.924       368.4945 560.1188 10.74064 571.6810 10.99074 -11.56226      15.36742 
1 1 1 9   7  24 o 221.3521 6.750454 1440.250       87.53047 1477.872       135.5375 1413.333       114.6431 223.8661 10.35137 219.0711 8.941818 4.794968       13.67870 
1 1 1 9   7  25 o 86.71073 14.83204 228.3434       72.71742 224.2442       118.9520 230.7894       91.88618 85.22315 23.18729 86.54968 18.65274 -1.326530      29.75862 
1 1 1 9   7  26 o 83.24224 23.15528 213.7329       117.1470 198.3850       134.4478 262.1216       238.7273 81.37478 25.40455 97.01218 33.98511 -15.63740      42.43087 
1 1 1 9   7  27 o 238.5818 6.661540 1673.698       93.11874 1915.496       151.0134 1525.356       118.2826 254.8104 10.12543 227.5084 8.881947 27.30206       13.46897 
1 1 1 9   7  28 o 283.5087 6.517446 2361.602       108.3663 2294.362       154.2202 2427.180       152.3040 278.9857 9.439190 287.0145 9.059441 -8.028778      13.08326 
1 1 1 9   7  29 o 200.4900 7.989770 1184.078       93.75768 1251.064       136.9714 1125.021       128.6100 205.6187 11.40305 194.9700 11.29588 10.64873       16.05074 
1 1 1 9   7  30 o 180.1833 9.351860 958.3979       98.48598 890.7937       143.2506 1018.994       135.6226 172.9166 14.25210 185.3270 12.55200 -12.41031      18.99145 
1 1 1 9   7  31 o 449.7601 8.409842 5951.077       221.8295 5433.280       336.9917 6347.004       294.6776 428.4667 13.42728 463.9848 10.82911 -35.51813      17.24997 
1 1 1 9   7  32 o 315.0464 7.508369 2918.534       138.7301 2894.807       198.6012 2941.144       193.8722 313.1147 10.83134 315.6814 10.48623 -2.566681      15.07578 
1 1 1 9   7  33 o 308.1931 9.751126 2802.429       176.0278 2713.498       195.5930 3181.419       403.7777 302.9995 11.02518 324.7436 21.31864 -21.74402      24.00081 
1 1 1 9   7  34 o 176.0368 10.03533 917.2475       103.1770 1168.748       164.2728 753.3954       132.5934 197.9173 14.24779 158.6519 14.40731 39.26537       20.26253 
1 1 1 9   7  35 o 288.6192 7.677780 2454.447       129.8451 2579.003       198.1494 2360.711       171.8942 294.9953 11.47509 282.4862 10.39332 12.50909       15.48221 
1 1 1 9   7  36 o 271.3448 7.861636 2171.012       124.9760 2159.915       182.5617 2180.799       171.4470 269.7874 11.56504 271.2965 10.79701 -1.509033      15.82168 
1 1 1 9   7  37 o 179.5477 10.11925 956.4588       106.1249 1040.932       168.4316 900.8441       136.6651 185.8926 15.59294 173.4276 13.54392 12.46494       20.65376 
1 1 1 9   7  38 o 47.18324 19.88950 12.53564       93.99944 -62.01559      148.0259 62.91330       121.6828 51.38499 23.18221 58.89799 23.45987 -7.512997      32.98152 
1 1 1 9   7  39 o 150.2810 11.31126 676.2082       98.96152 769.1636       148.9123 602.6832       132.4374 158.6798 16.22977 140.2162 16.41541 18.46359       23.08401 
1 1 1 9   7  40 o 187.2685 9.466005 1044.515       103.6266 936.9986       152.8850 1135.891       140.9426 175.2847 15.01658 194.2389 12.43780 -18.95427      19.49863 
1 1 1 9   7  41 o 186.0579 9.452601 1032.875       102.8075 1163.328       162.9122 946.5435       132.5294 195.3731 14.31741 176.7925 12.87012 18.58064       19.25170 
1 1 1 9   7  42 o 113.7146 13.98806 398.0405       91.32422 459.6896       136.8419 348.5334       122.6279 119.4773 20.25170 103.3946 20.94156 16.08270       29.13212 
1 1 1 9   7  43 o 56.92255 20.95779 89.43869       92.06992 173.3551       145.8109 33.79482       118.7340 74.04542 26.50064 53.28323 22.40104 20.76219       34.70000 
1 1 1 9   7  44 o 130.7902 17.50753 544.1144       130.9223 935.7234       351.0140 480.8315       141.1047 151.1238 39.25610 121.0715 20.61006 30.05235       44.33752 
1 1 1 9   7  45 o 108.3376 15.29317 369.9766       94.46941 345.6311       141.1132 389.7491       127.1716 99.71672 24.34497 108.2644 20.78425 -8.547638      32.01035 
1 1 1 9   7  46 o 34.38309 16.68174 -155.2498      105.0694 -220.3089      110.3885 471.4499       342.6094 32.37253 15.98782 103.3650 39.89480 -70.99249      42.97913 
1 1 1 9   7  47 o 195.5500 11.03980 1164.121       126.0962 1195.510       132.5724 866.1831       408.4348 197.8879 11.47227 130.2896 44.51070 67.59831       45.96537 
1 1 1 9   7  48 f 94.87183 21.37585 310.0372       116.0744 348.8835       120.8137 -156.1535      418.5265 100.9981 21.07861 71.60488 34.37713 29.39325       40.32486 
1 1 1 9   7  49 o 53.53450 22.61420 45.16407       121.9314 19.55567       127.0922 341.4170       432.2738 51.65586 22.46936 91.02808 40.44300 -39.37222      46.26563 
1 1 1 9   8  0  o 482.7923 12.46054 6856.898       352.5206 7026.055       501.0738 6691.120       496.0432 487.9575 17.53784 476.1253 17.79560 11.83221       24.98518 
1 1 1 9   8  1  o 735.8570 24.85429 16052.95       1071.079 16052.95       1071.079 0.000000       0.000000 735.8570 24.85429 ?        ?        0.000000       24.85429 
1 1 1 9   8  2  o 688.6772 16.58308 13966.52       669.7789 15371.82       1011.790 12870.35       893.6024 720.4503 23.97957 659.3874 23.14339 61.06287       33.32622 
1 1 1 9   8  3  o 651.3685 15.78520 12486.89       603.0138 12861.90       867.3044 12135.98       838.9813 659.4788 22.45713 640.5986 22.36570 18.88019       31.69460 
1 1 1 9   8  4  f 489.4981 18.23216 7067.690       522.4924 0.000000       0.000000 7067.690       522.4924 ?        ?        489.4981 18.23216 0.000000       18.23216 
1 1 1 9   8  5  o 754.9034 15.16894 16759.31       671.5792 16759.31       671.5792 0.000000       0.000000 754.9034 15.16894 ?        ?        0.000000       15.16894 
1 1 1 9   8  6  o 427.6396 10.26759 5369.139       257.5117 5369.139       257.5117 0.000000       0.000000 427.6396 10.26759 ?        ?        0.000000       10.26759 
1 1 1 9   8  7  o 582.9543 12.36155 9981.448       422.6278 9981.448       422.6278 0.000000       0.000000 582.9543 12.36155 ?        ?        0.000000       12.36155 
1 1 1 9   8  8  o 249.3136 9.983386 1827.416       145.6784 1827.416       145.6784 0.000000       0.000000 249.3136 9.983386 ?        ?        0.000000       9.983386 
1 1 1 9   8  9  o 537.5441 10.70782 8482.531       337.5716 7958.844       434.2518 9282.271       536.6360 520.2731 14.24520 561.6722 16.30821 -41.39911      21.65372 
1 1 1 9   8  10 o 651.6771 16.67438 12494.31       636.7599 0.000000       0.000000 12494.31       636.7599 ?        ?        651.6771 16.67438 0.000000       16.67438 
1 1 1 9   8  11 o 1032.242 24.97014 31433.66       1511.656 0.000000       0.000000 31433.66       1511.656 ?        ?        1032.242 24.97014 0.000000       24.97014 
1 1 1 9   8  12 o 348.4296 14.13377 3572.941       288.2180 3572.941       288.2180 0.000000       0.000000 348.4296 14.13377 ?        ?        0.000000       14.13377 
1 1 1 9   8  13 o 964.8781 16.71195 27379.42       945.6927 28682.28       1432.611 26373.24       1258.973 985.5483 24.80534 945.8278 22.69624 39.72058       33.62178 
1 1 1 9   8  14 o 732.4634 11.08490 15753.29       476.1770 15192.71       799.2803 16061.72       592.8759 718.1396 18.99421 739.3424 13.67312 -21.20276      23.40372 
1 1 1 9   8  15 o 934.5829 16.29714 25691.28       893.2640 25903.50       1293.344 25497.71       1235.194 936.5849 23.56466 929.7321 22.65306 6.852844       32.68722 
1 1 1 9   8  16 o 537.4406 10.70839 8482.010       337.5243 8202.295       481.4633 8752.324       473.3043 527.8599 15.56929 545.3845 14.81117 -17.52460      21.48892 
1 1 1 9   8  17 f 474.6255 8.377978 6611.974       233.2066 6164.031       383.0074 6875.885       293.9850 457.6349 14.28795 483.8847 10.35935 -26.24979      17.64828 
1 1 1 9   8  18 o 361.2775 6.826857 3830.116       144.6479 3808.543       209.4494 3849.787       200.0035 359.9792 9.930391 361.9647 9.429546 -1.985504      13.69412 
1 1 1 9   8  19 o 497.9470 7.283484 7277.700       212.7026 7241.426       301.1679 7313.801       300.4473 496.4680 10.34349 498.9496 10.26741 -2.481689      14.57421 
1 1 1 9   8  20 o 305.2513 6.817169 2734.904       122.0428 2830.405       183.4341 2659.056       163.4743 310.1988 10.09644 300.7264 9.279990 9.472412       13.71336 
1 1 1 9   8  21 o 470.6751 7.033477 6503.643       194.1520 6559.772       277.2509 6449.631       271.9700 472.4269 10.00663 468.4555 9.899245 3.971436       14.07578 
1 1 1 9   8  22 o 141.6353 9.727205 592.4855       80.30917 491.6750       126.8110 659.9916       103.7710 127.8384 17.36228 149.2684 11.95362 -21.43004      21.07932 
1 1 1 9   8  23 o 616.3254 8.136395 11161.27       294.0983 11134.85       415.8097 11187.71       416.0261 614.9738 11.52889 616.4362 11.50752 -1.462463      16.28921 
1 1 1 9   8  24 o 311.5457 6.344292 2850.110       115.9192 2970.922       175.1377 2755.925       154.6385 317.6801 9.410617 306.0560 8.623815 11.62418       12.76440 
1 1 1 9   8  25 o 135.4781 9.549395 542.7193       75.38831 535.8183       124.2153 546.7436       94.85601 133.5721 16.18642 135.6512 12.04835 -2.079071      20.17828 
1 1 1 9   8  26 o 273.3639 8.577875 2200.170       137.3516 2067.423       153.7921 2723.375       305.3204 264.7980 9.920588 302.3959 17.28792 -37.59790      19.93214 
1 1 1 9   8  27 o 621.9942 8.174568 11378.62       298.1959 12046.85       451.5878 10861.98       397.0770 638.8808 12.05235 606.9301 11.15541 31.95074       16.42262 
1 1 1 9   8  28 o 81.73516 16.07580 204.9516       74.31351 120.6878       120.6001 256.5314       94.35542 67.77292 24.11803 91.26621 18.26612 -23.49329      30.25443 
1 1 1 9   8  29 o 120.0659 12.42120 430.1988       86.20326 292.9814       132.5336 530.8154       113.4896 96.83389 23.56396 133.0747 14.79113 -36.24079      27.82153 
1 1 1 9   8  30 o 336.2488 7.284029 3323.524       143.6425 3256.003       204.3360 3389.488       201.9670 332.2175 10.50069 339.0284 10.16916 -6.810883      14.61767 
1 1 1 9   8  31 o 315.6237 7.510745 2928.898       139.0283 3006.464       201.7759 2858.789       191.8320 319.1489 10.79571 311.2540 10.52400 7.894928       15.07653 
1 1 1 9   8  32 o 261.4167 7.507753 2011.259       114.9857 1977.418       167.5313 2041.400       158.1063 258.6540 11.06959 262.9555 10.27194 -4.301514      15.10128 
1 1 1 9   8  33 o 131.8248 12.25597 518.1764       93.66821 517.8345       145.7057 518.4172       122.2847 130.1137 19.71085 131.0399 16.26044 -0.9261322     25.55229 
1 1 1 9   8  34 o 164.1697 15.17046 808.4932       144.4123 769.3947       155.0791 1063.734       396.2308 159.7070 16.80859 179.1489 38.83461 -19.44191      42.31614 
1 1 1 9   8  35 o 235.2085 8.154154 1631.921       112.3117 1702.333       176.5934 1584.096       145.5387 239.2598 12.62976 231.2244 10.76186 8.035339       16.59303 
1 1 1 9   8  36 o 41.60627 18.45483 -27.73696      89.63978 41.13395       150.4901 -65.60988      111.5974 61.52759 25.49244 43.46784 19.81450 18.05975       32.28744 
1 1 1 9   8  37 o 148.3151 12.25595 657.8279       105.6556 578.5181       170.3359 707.4235       134.6991 136.0461 22.10682 153.0655 15.20588 -17.01932      26.83152 
1 1 1 9   8  38 f 225.6118 8.837697 1506.830       116.7107 1586.882       179.6265 1448.345       153.5352 230.1584 13.36488 220.3286 11.92638 9.829834       17.91253 
1 1 1 9   8  39 o 35.52518 16.58163 -75.26849      85.09379 -107.6223      133.1944 -52.95641      110.6097 44.66288 20.81298 43.87085 19.89146 0.7920227      28.78976 
1 1 1 9   8  40 o 92.64020 16.98611 269.9180       88.88783 146.5927       134.7204 364.9948       118.2891 70.85034 25.45896 107.0741 19.55734 -36.22379      32.10371 
1 1 1 9   8  41 o 220.9361 8.386138 1450.722       108.4651 1495.024       164.3220 1416.515       144.3895 222.4198 12.64928 217.0991 11.38011 5.320755       17.01502 
1 1 1 9   8  42 o 46.90965 19.46111 26.93015       87.86313 100.6733       147.4638 -13.65917      109.4034 65.35805 25.89268 46.69476 20.56419 18.66328       33.06534 
1 1 1 9   8  43 o 82.73801 19.63054 225.0161       93.81158 324.0608       154.9287 167.6790       117.8783 96.27589 26.57095 71.77003 23.91220 24.50586       35.74645 
1 1 1 9   8  44 o 98.86732 17.16020 313.2159       95.89377 365.2812       157.6509 282.6394       120.8137 101.8736 26.23006 91.20937 22.68082 10.66425       34.67616 
1 1 1 9   8  45 o 49.13831 20.07870 42.42415       91.68040 70.55103       94.03063 -499.2352      412.6404 53.60035 20.84191 63.95786 31.45634 -10.35751      37.73442 
1 1 1 9   8  46 o 124.9439 15.27615 492.9815       109.6132 506.4731       114.8838 355.9816       366.0894 126.3245 15.85508 94.38243 39.48417 31.94209       42.54860 
1 1 1 9   8  47 o 60.31986 22.84782 105.7412       110.9934 131.7271       115.0236 -245.7115      423.0110 64.51630 23.47746 70.02428 33.85344 -5.507988      41.19765 
1 1 1 9   8  48 o 114.2468 19.46691 435.5577       125.7623 440.2731       131.3662 383.7999       435.2256 114.2548 20.35084 93.69017 41.14682 20.56464       45.90444 
1 1 1 9   8  49 o 170.0190 13.67990 903.5477       135.2547 962.9218       142.5422 367.0163       428.4917 175.3074 13.97986 91.91577 40.57937 83.39162       42.91994 
1 1 1 9   9  0  o 493.4981 12.59328 7161.767       364.1832 7337.435       518.6686 6990.940       511.4724 498.8264 17.75756 486.8620 17.94359 11.96436       25.24487 
1 1 1 9   9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   9  2  o 483.1274 17.45996 6880.601       493.9017 6880.601       493.9017 0.000000       0.000000 483.1274 17.45996 ?        ?        0.000000       17.45996 
1 1 1 9   9  3  o 623.3918 15.17727 11428.35       554.8879 11625.24       789.9467 11236.59       779.6154 627.4771 21.49766 616.8701 21.58270 10.60699       30.46247 
1 1 1 9   9  4  o 645.8292 11.46908 12249.71       434.4070 12212.65       505.6130 12354.19       848.9615 644.6730 13.37298 646.7927 22.41451 -2.119690      26.10070 
1 1 1 9   9  5  o 577.6810 10.60652 9797.947       359.3451 10188.31       432.4539 8927.173       645.8909 588.9328 12.52055 550.1771 20.05087 38.75568       23.63898 
1 1 1 9   9  6  o 1002.856 19.35128 29605.72       1138.148 29605.72       1138.148 0.000000       0.000000 1002.856 19.35128 ?        ?        0.000000       19.35128 
1 1 1 9   9  7  f 61.56202 21.52943 98.76358       95.77995 98.76358       95.77995 0.000000       0.000000 61.56202 21.52943 ?        ?        0.000000       21.52943 
1 1 1 9   9  8  o 1023.272 24.87787 30886.89       1492.983 30886.89       1492.983 0.000000       0.000000 1023.272 24.87787 ?        ?        0.000000       24.87787 
1 1 1 9   9  9  o 762.3742 12.10390 17067.21       541.1828 17796.46       722.7051 16136.26       816.5558 778.1055 15.83697 740.3225 18.82204 37.78296       24.59835 
1 1 1 9   9  10 o 767.9509 13.82194 17325.67       622.5194 18128.72       924.3458 16659.12       842.1366 784.4841 20.10749 752.1614 19.10613 32.32263       27.73726 
1 1 1 9   9  11 o 669.4929 17.01158 13189.88       667.4045 0.000000       0.000000 13189.88       667.4045 ?        ?        669.4929 17.01158 0.000000       17.01158 
1 1 1 9   9  12 o 1712.296 23.56799 86469.40       2366.748 91069.10       4384.093 84577.51       2811.659 1745.832 42.81805 1691.308 28.34584 54.52319       51.35048 
1 1 1 9   9  13 o 1144.746 16.03419 38533.28       1076.482 39496.64       1928.432 38097.21       1297.442 1155.554 28.45532 1137.513 19.44827 18.04138       34.46651 
1 1 1 9   9  14 o 1092.357 18.76678 35130.14       1202.278 34332.27       1656.440 36018.43       1747.791 1077.848 26.20401 1103.736 27.00062 -25.88782      37.62557 
1 1 1 9   9  15 o 283.0374 8.933537 2353.739       148.1063 2288.311       281.3013 2378.832       174.2074 278.3123 17.31995 284.4411 10.46078 -6.128815      20.23385 
1 1 1 9   9  16 o 751.5294 13.39086 16600.59       590.2077 16621.26       850.1149 16581.35       820.0559 750.8085 19.32231 750.2769 18.63680 0.5316162      26.84552 
1 1 1 9   9  17 o 219.5845 8.944887 1417.890       114.9521 1375.707       207.3026 1436.620       138.1347 215.5478 16.52476 220.9007 10.69417 -5.352875      19.68332 
1 1 1 9   9  18 o 738.1906 9.398623 16002.69       406.8958 15652.54       558.2985 16399.40       594.2588 729.5754 13.04805 746.6926 13.57010 -17.11719      18.82550 
1 1 1 9   9  19 o 160.9164 10.41898 764.0413       97.79910 930.7141       197.4895 709.8868       112.5716 176.4882 19.39946 154.8628 12.50072 21.62543       23.07828 
1 1 1 9   9  20 o 739.7640 9.389538 16077.93       407.3690 15756.44       559.7990 16439.82       593.9280 731.6862 13.04538 747.2770 13.55195 -15.59082      18.81056 
1 1 1 9   9  21 o 430.4807 6.760971 5440.225       170.6921 5443.229       243.1361 5437.305       239.6908 430.3503 9.633340 430.1293 9.501710 0.2209473      13.53084 
1 1 1 9   9  22 o 252.8223 9.103466 1881.156       134.7607 1734.953       149.1919 2529.094       314.0751 242.6357 10.50924 291.7130 18.45264 -49.07733      21.23545 
1 1 1 9   9  23 o 327.0934 9.893768 3150.087       189.5765 3008.082       233.2008 3426.802       325.5327 319.2446 12.47939 340.0020 16.37349 -20.75742      20.58704 
1 1 1 9   9  24 o 298.4113 8.158338 2619.398       142.6460 2913.265       263.6631 2497.789       169.6123 313.7219 14.36841 291.1744 9.946995 22.54749       17.47552 
1 1 1 9   9  25 o 214.2153 6.839119 1349.445       85.81128 1325.954       133.4750 1365.996       112.0326 211.8935 10.77607 215.3168 8.891019 -3.423325      13.97046 
1 1 1 9   9  26 o 543.8121 7.474943 8692.961       238.4006 8873.298       342.6641 8523.783       331.8925 548.7429 10.64754 537.8579 10.52154 10.88501       14.96906 
1 1 1 9   9  27 o 50.45967 18.08453 64.53001       67.92864 100.7528       117.3580 46.28020       83.30116 64.35945 23.66740 50.15441 19.58403 14.20504       30.71938 
1 1 1 9   9  28 o 194.4662 7.587099 1113.606       86.36470 1253.909       143.1048 1033.230       108.3136 205.7676 11.90930 187.0223 9.910421 18.74529       15.49348 
1 1 1 9   9  29 o 336.4053 6.870329 3325.809       135.5473 3342.375       198.8484 3311.431       185.2580 336.6689 10.08227 335.2221 9.432478 1.446777       13.80666 
1 1 1 9   9  30 o 78.36256 20.47766 190.2319       95.13702 180.2636       153.8602 196.4023       121.0525 79.92035 27.31869 80.21938 23.92625 -0.2990265     36.31496 
1 1 1 9   9  31 o 28.36819 14.11734 -232.4206      92.49312 -428.7345      150.8128 -114.0615      117.1018 34.52583 17.30841 41.30660 19.33610 -6.780769      25.95122 
1 1 1 9   9  32 o 69.92460 20.67784 148.9515       90.72303 221.4753       138.4381 94.36072       120.1088 84.97043 25.64291 63.70318 23.84543 21.26725       35.01662 
1 1 1 9   9  33 o 117.7547 13.91239 416.6669       94.22630 200.3595       147.1882 566.8734       122.6540 82.00016 26.69198 137.2504 15.50899 -55.25022      30.87055 
1 1 1 9   9  34 o 54.19507 20.91755 60.00312       94.18768 141.7688       150.5619 7.430796       120.7280 73.75155 26.85721 52.65956 22.38440 21.09198       34.96243 
1 1 1 9   9  35 o 139.2854 12.99094 580.7429       104.8961 637.7698       173.8784 548.1137       131.5253 143.7166 21.27096 134.2768 17.08816 9.439743       27.28477 
1 1 1 9   9  36 o 183.3750 10.04434 996.8989       107.6095 859.8581       161.8679 1105.432       144.0512 168.6400 16.58042 192.4858 12.83381 -23.84579      20.96704 
1 1 1 9   9  37 o 186.6666 10.14833 1034.367       110.6816 952.0582       169.8768 1095.081       145.8997 177.2697 16.53044 191.3266 13.08125 -14.05688      21.08019 
1 1 1 9   9  38 o 174.2899 9.773710 902.7908       99.50362 781.0526       158.0416 982.7399       128.0751 159.8402 17.12578 181.2334 12.11935 -21.39314      20.98025 
1 1 1 9   9  39 o 162.3021 10.08726 785.8809       95.54229 800.2670       155.5933 777.1732       121.0521 161.4547 16.67145 160.5081 12.96990 0.9466400      21.12239 
1 1 1 9   9  40 o 136.8156 11.70378 564.5715       93.00893 575.0162       140.0853 556.3375       124.3799 135.5798 18.06689 134.1688 16.13005 1.410995       24.21964 
1 1 1 9   9  41 o 40.04679 17.80443 -22.26418      83.92022 -163.6634      132.8852 71.54042       108.2344 40.68546 19.48996 56.78893 22.27954 -16.10347      29.60129 
1 1 1 9   9  42 o 98.80857 15.88425 306.7087       88.92843 356.7610       152.4766 280.9065       109.4761 102.1484 25.52575 92.51026 20.69652 9.638176       32.86198 
1 1 1 9   9  43 o 66.12764 20.44332 141.9574       87.30046 160.5136       90.00419 -153.0523      358.8702 69.86551 20.57893 71.14714 33.47674 -1.281631      39.29611 
1 1 1 9   9  44 o 97.41355 18.26905 307.9476       100.5392 338.1572       104.4630 -71.67309      370.3097 102.2862 18.07474 74.56600 34.73305 27.72021       39.15458 
1 1 1 9   9  45 o 42.55761 18.93257 -17.72453      95.04305 8.483794       98.05943 -424.1736      386.1649 46.03543 19.88125 63.38790 31.02250 -17.35246      36.84644 
1 1 1 9   9  46 o 80.48160 21.86811 223.0898       105.8850 209.1853       109.8827 403.8197       396.1569 77.70712 22.69732 97.15028 40.88508 -19.44317      46.76279 
1 1 1 9   9  47 o 78.43503 23.30372 215.9702       115.0098 259.8562       118.7931 -440.2803      459.3707 85.98251 23.07736 67.37717 33.14822 18.60533       40.39021 
1 1 1 9   9  48 o 69.19363 24.52530 162.3500       124.5956 169.3564       127.6590 21.59494       572.1840 70.33332 24.83466 83.46220 40.10240 -13.12888      47.16951 
1 1 1 9   9  49 o 63.66765 24.38592 124.6758       127.3304 133.9401       131.1639 -26.90101      530.5465 65.16432 24.80115 79.73831 38.39051 -14.57399      45.70479 
1 1 1 9   10 0  o 360.5101 10.22785 3818.862       216.0295 3774.397       297.0298 3868.794       314.7647 358.0694 14.17232 362.4591 14.83870 -4.389709      20.51930 
1 1 1 9   10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 2  o 668.7773 16.07184 13153.44       630.3732 13169.41       887.5295 13137.19       895.4884 667.8477 22.69270 666.9818 22.92671 0.8659058      32.25822 
1 1 1 9   10 3  o 273.1608 9.431102 2192.754       150.8618 2240.409       200.8333 2131.042       228.5446 275.9001 12.44379 268.8811 14.54724 7.018921       19.14340 
1 1 1 9   10 4  o 459.3276 9.097765 6192.103       245.0799 6245.623       289.6383 6057.183       459.8717 461.2322 10.70744 453.4580 17.32402 7.774139       20.36593 
1 1 1 9   10 5  o 404.2392 8.572474 4795.318       203.2334 4878.661       241.7269 4594.340       375.3755 407.6782 10.11014 394.9701 16.23972 12.70816       19.12964 
1 1 1 9   10 6  o 529.6464 11.58233 8236.746       359.7762 8236.746       359.7762 0.000000       0.000000 529.6464 11.58233 ?        ?        0.000000       11.58233 
1 1 1 9   10 7  o 667.9026 13.65588 13104.58       534.9133 13104.58       534.9133 0.000000       0.000000 667.9026 13.65588 ?        ?        0.000000       13.65588 
1 1 1 9   10 8  o 438.5640 10.71944 5646.313       275.7121 5646.313       275.7121 0.000000       0.000000 438.5640 10.71944 ?        ?        0.000000       10.71944 
1 1 1 9   10 9  o 502.7127 10.82086 7419.165       319.0305 7508.468       444.7005 7324.463       457.9454 505.2407 15.02455 498.9385 15.66949 6.302185       21.70876 
1 1 1 9   10 10 o 418.3430 7.415901 5134.812       181.9479 5338.064       279.8496 4985.983       239.4698 426.2454 11.20447 412.1469 9.907138 14.09854       14.95632 
1 1 1 9   10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 12 o 839.9641 15.16218 20740.05       746.9180 19512.01       967.1575 22554.87       1175.730 813.9322 20.26089 874.2624 22.95044 -60.33020      30.61415 
1 1 1 9   10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 14 o 631.3100 9.928739 11700.81       367.6100 11575.13       635.0468 11764.15       450.8232 626.9274 17.28832 632.8318 12.14695 -5.904419      21.12900 
1 1 1 9   10 15 o 1281.951 17.82938 48386.14       1340.473 45436.32       2106.163 50394.60       1737.904 1238.150 29.00469 1306.657 22.67847 -68.50732      36.81827 
1 1 1 9   10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 17 o 874.4963 12.47723 22480.38       639.9213 22030.67       1074.208 22727.76       796.7186 863.7059 21.20664 878.7179 15.45984 -15.01196      26.24363 
1 1 1 9   10 18 o 1027.229 12.48945 31029.60       752.4213 30467.18       1037.323 31654.04       1093.029 1016.535 17.39968 1035.952 17.99045 -19.41614      25.02808 
1 1 1 9   10 19 o 501.6176 7.267077 7386.431       213.7879 7021.406       288.9344 7828.053       317.8073 488.8228 10.07853 516.0929 10.49991 -27.27011      14.55420 
1 1 1 9   10 20 o 407.5035 6.655389 4874.484       159.0579 4740.623       221.6918 5016.494       228.3392 401.6635 9.411022 413.1842 9.422938 -11.52069      13.31762 
1 1 1 9   10 21 o 379.9826 6.486596 4238.703       144.5543 4381.274       211.4108 4113.521       198.0992 386.0894 9.336601 374.1339 9.028281 11.95547       12.98776 
1 1 1 9   10 22 o 84.38861 14.36868 215.8918       68.56754 203.6698       121.9963 221.5354       82.90056 81.85106 23.91795 85.03959 17.21348 -3.188530      29.46816 
1 1 1 9   10 23 o 748.7927 9.469978 16491.67       415.8734 16767.07       599.7391 16236.60       577.1771 753.8158 13.56584 741.8965 13.26524 11.91931       18.97363 
1 1 1 9   10 24 o 389.2463 6.491773 4449.924       148.1966 4751.046       225.1479 4219.731       196.8537 401.8328 9.553707 378.7880 8.861287 23.04480       13.03057 
1 1 1 9   10 25 o 322.2769 6.346372 3050.685       119.9514 3071.032       176.2014 3033.111       163.7552 322.9092 9.313920 320.9965 8.706540 1.912750       12.74963 
1 1 1 9   10 26 o 295.4728 6.316170 2564.638       109.4515 2750.062       166.7628 2424.316       145.0702 305.5092 9.318204 286.9271 8.630779 18.58212       12.70115 
1 1 1 9   10 27 o 372.8679 6.429790 4084.752       140.6055 4515.887       219.3044 3783.828       183.2181 391.5987 9.548948 358.5827 8.712216 33.01605       12.92614 
1 1 1 9   10 28 f 207.9726 7.628331 1273.484       92.88588 1275.327       144.1509 1272.175       121.4643 207.5251 11.89376 207.5634 10.00758 -0.3828430E-01 15.54391 
1 1 1 9   10 29 o 403.9666 7.157412 4796.648       169.5712 4615.395       234.0558 4996.890       246.0102 395.6722 10.09458 411.8144 10.18594 -16.14218      14.34064 
1 1 1 9   10 30 o 278.5092 7.662040 2282.456       125.0321 2724.728       204.2313 2017.320       158.1291 303.6870 11.48760 261.4414 10.33340 42.24564       15.45134 
1 1 1 9   10 31 o 138.3024 12.22788 569.2933       98.16092 502.2052       157.8205 611.6219       125.3596 127.7155 21.85546 142.8398 15.19739 -15.12431      26.61996 
1 1 1 9   10 32 o 39.18915 17.69354 -44.24782      86.42046 -66.45290      147.5895 -32.66220      106.6078 51.59817 23.22467 45.51330 20.16005 6.084866       30.75407 
1 1 1 9   10 33 o 293.6805 7.581818 2539.624       130.4775 2484.563       192.3984 2586.510       177.5417 289.7351 11.34462 295.8779 10.24692 -6.142822      15.28725 
1 1 1 9   10 34 o 208.6859 8.912399 1286.350       108.8271 1404.093       174.6599 1211.631       139.1370 216.9778 13.79694 201.9679 11.79790 15.00989       18.15340 
1 1 1 9   10 35 o 40.62774 18.28487 -41.92171      91.45557 27.54376       155.5605 -78.61380      113.0580 61.04248 25.65056 42.76395 19.66144 18.27853       32.31909 
1 1 1 9   10 36 o 158.2054 12.29034 747.4337       113.1404 586.7181       203.9449 818.8851       135.9844 135.5090 26.61229 165.1615 14.17577 -29.65251      30.15239 
1 1 1 9   10 37 o 200.8784 9.531249 1196.225       111.9678 1024.939       166.3690 1338.042       151.3826 184.2190 15.54371 211.7522 12.24201 -27.53325      19.78570 
1 1 1 9   10 38 o 28.91070 14.21822 -170.5302      84.26034 -180.7834      141.4994 -164.8968      104.8838 42.08333 20.14678 34.61210 16.76304 7.471233       26.20863 
1 1 1 9   10 39 o 94.83447 16.84045 281.5546       90.23257 225.8377       152.5263 311.5526       111.9176 83.62245 27.16820 98.74529 20.01174 -15.12284      33.74287 
1 1 1 9   10 40 o 191.0294 8.873769 1086.106       99.14495 1127.125       160.9629 1061.031       125.8526 192.3504 14.37253 187.8787 11.47655 4.471710       18.39241 
1 1 1 9   10 41 o 53.42112 20.07585 72.11012       85.31355 87.00454       87.63055 -198.4262      373.4708 56.29742 20.49124 72.53197 34.13536 -16.23455      39.81349 
1 1 1 9   10 42 o 116.3419 14.09811 418.0097       94.23375 476.5548       97.57220 -393.8781      363.3529 124.5337 13.57918 64.06682 31.06902 60.46685       33.90690 
1 1 1 9   10 43 o 64.97182 21.30644 135.2372       93.70237 121.4640       97.04484 324.9113       360.1310 62.66951 21.68580 96.02372 39.57639 -33.35421      45.12831 
1 1 1 9   10 44 o 52.67986 20.69411 64.11778       93.48151 73.60770       96.45737 -82.60123      379.2692 54.53398 21.13568 74.54073 34.86257 -20.00674      40.76906 
1 1 1 9   10 45 o 92.74395 19.54404 285.8989       102.9456 303.9366       106.8236 50.90878       385.5685 95.60863 19.70652 79.36930 36.42422 16.23933       41.41341 
1 1 1 9   10 46 o 40.25433 18.68729 -67.75173      105.7916 -42.83074      109.7678 -393.1646      396.6521 43.14742 19.66186 64.22141 31.43264 -21.07399      37.07559 
1 1 1 9   10 47 o 103.7868 21.05352 366.9138       123.7621 368.9639       128.9750 343.0795       439.7642 103.4842 21.93319 92.44624 40.94742 11.03793       46.45165 
1 1 1 9   10 48 o 61.65307 24.33547 105.8875       129.8221 157.0883       132.2361 -1258.229      682.5539 68.65157 25.14318 66.81962 33.89228 1.831947       42.20031 
1 1 1 9   11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   11 1  o 1195.388 27.45333 42225.27       1924.663 44889.65       2856.910 40011.13       2604.355 1226.777 39.76073 1158.803 38.37423 67.97449       55.25846 
1 1 1 9   11 2  o 646.0285 15.59643 12268.38       590.9183 12763.12       854.8633 11815.68       817.7413 657.7336 22.19313 632.8441 22.06651 24.88953       31.29642 
1 1 1 9   11 3  o 434.2706 8.956510 5534.588       228.1128 5760.159       276.5554 5054.469       403.4737 442.9595 10.64554 414.2740 16.64032 28.68552       19.75418 
1 1 1 9   11 4  o 530.4250 11.83770 8261.497       368.2494 8542.702       480.5493 7861.438       573.1758 538.9247 15.21929 516.5311 18.95300 22.39362       24.30726 
1 1 1 9   11 5  o 1129.598 18.54362 37541.04       1228.483 37235.48       1413.430 38484.80       2484.048 1124.367 21.43461 1137.417 37.28869 -13.04956      43.01034 
1 1 1 9   11 6  o 220.4028 8.474190 1427.558       109.3342 1475.147       129.5207 1309.573       203.9375 223.9663 9.885012 210.3933 16.66378 13.57301       19.37511 
1 1 1 9   11 7  o 200.4800 10.44914 1183.031       122.4336 1183.031       122.4336 0.000000       0.000000 200.4800 10.44914 ?        ?        0.000000       10.44914 
1 1 1 9   11 8  o 71.51089 23.17971 145.7755       111.0660 145.7755       111.0660 0.000000       0.000000 71.51089 23.17971 ?        ?        0.000000       23.17971 
1 1 1 9   11 9  o 512.2350 9.779820 7701.560       293.7992 7607.549       357.8880 7895.854       514.5021 508.9754 11.98947 517.8788 16.96269 -8.903412      20.77210 
1 1 1 9   11 10 o 561.1937 10.06363 9244.933       331.2212 8069.643       604.6403 9748.829       395.9086 523.1579 19.74212 576.1768 11.71625 -53.01892      22.95695 
1 1 1 9   11 11 o 717.6489 10.05959 15118.79       423.3920 15637.20       667.4456 14769.72       547.6912 729.2913 15.60502 709.0405 13.17086 20.25079       20.42029 
1 1 1 9   11 12 o 599.8028 11.65934 10565.76       410.1406 12235.89       708.0579 9722.427       503.1462 644.4200 18.75476 574.8941 14.93564 69.52588       23.97529 
1 1 1 9   11 13 o 726.4481 10.93394 15496.95       465.8345 16012.55       847.2246 15273.53       557.7036 737.0176 19.61808 720.9597 13.18991 16.05792       23.63986 
1 1 1 9   11 14 o 553.1954 10.80177 8987.080       350.4482 9332.888       542.5643 8739.530       459.0547 562.9528 16.45109 545.0257 14.37395 17.92706       21.84603 
1 1 1 9   11 15 o 523.0182 10.27290 8032.984       315.1088 7790.115       451.8637 8262.901       439.6496 514.4184 14.99354 529.9213 14.15905 -15.50287      20.62244 
1 1 1 9   11 16 o 484.5765 8.411820 6893.107       239.0578 6412.595       388.9946 7184.720       303.0361 466.6978 14.22869 494.5754 10.44748 -27.87759      17.65235 
1 1 1 9   11 17 o 563.5753 9.010968 9326.930       297.8337 9082.892       501.1849 9460.160       370.3140 555.1882 15.40733 567.3755 11.12882 -12.18732      19.00622 
1 1 1 9   11 18 o 325.9416 7.301947 3118.562       139.5818 3135.021       253.1527 3111.372       167.3125 326.1422 13.26270 325.3723 8.775950 0.7698975      15.90335 
1 1 1 9   11 19 o 487.1427 7.108378 6966.559       203.0847 6818.322       282.2254 7125.740       292.4581 481.6697 9.990710 492.3936 10.12747 -10.72388      14.22603 
1 1 1 9   11 20 o 247.1716 11.26610 1800.929       162.8843 1811.964       202.2708 1780.573       274.7264 247.5801 13.98739 244.5295 19.31332 3.050659       23.84641 
1 1 1 9   11 21 o 236.0202 6.767267 1636.984       93.57600 1510.831       142.1814 1733.384       124.2889 226.3589 10.74077 242.7065 8.746029 -16.34766      13.85125 
1 1 1 9   11 22 o 239.1245 6.510115 1680.297       91.21349 1768.038       148.6307 1627.287       115.5266 244.9032 10.37165 235.1539 8.390264 9.749298       13.34045 
1 1 1 9   11 23 o 160.4441 9.590832 760.0209       89.83465 785.4234       217.7509 754.8105       98.61841 160.3967 23.87466 159.7729 10.58423 0.6238251      26.11561 
1 1 1 9   11 24 o 428.5493 6.752693 5395.061       169.7181 5743.001       256.2864 5123.299       226.4996 441.7016 9.893411 417.2899 9.255054 24.41174       13.54753 
1 1 1 9   11 25 o 338.5028 6.479840 3366.142       128.6403 3492.838       194.9903 3268.502       171.1768 344.2986 9.666234 333.1927 8.767511 11.10590       13.05011 
1 1 1 9   11 26 o 235.7164 6.709807 1633.944       92.66338 1622.429       149.0817 1641.193       118.2888 234.3417 10.87704 236.0291 8.559479 -1.687424      13.84105 
1 1 1 9   11 27 o 155.1487 8.516670 710.3644       77.19681 738.6778       130.8767 695.2579       95.59771 157.3255 14.34197 153.2009 10.70726 4.124634       17.89798 
1 1 1 9   11 28 o 523.4637 7.476988 8056.116       229.5428 8201.690       330.4858 7920.433       319.0608 527.4574 10.68353 518.3827 10.49476 9.074707       14.97591 
1 1 1 9   11 29 o 170.4722 9.646182 858.5266       96.04703 800.4973       161.4823 890.2936       119.4784 163.2669 17.11887 173.2905 11.82702 -10.02364      20.80707 
1 1 1 9   11 30 o 300.4030 7.490952 2653.246       131.9750 2540.023       195.8328 2747.453       178.6326 293.1953 11.41058 305.2146 9.992884 -12.01932      15.16770 
1 1 1 9   11 31 o 514.0479 7.697255 7771.973       232.0545 7639.724       320.4116 7917.863       336.5306 508.9352 10.73483 518.0192 11.07715 -9.084076      15.42530 
1 1 1 9   11 32 o 54.90601 20.75683 66.77103       91.50316 -136.8464      161.3634 163.2795       111.0914 49.43793 22.99441 73.70999 23.10474 -24.27206      32.59711 
1 1 1 9   11 33 o 235.9618 7.933103 1641.151       109.6270 1744.198       175.5299 1575.252       140.3699 242.3814 12.38923 230.7405 10.39962 11.64088       16.17545 
1 1 1 9   11 34 o 250.1571 7.906578 1845.074       115.8527 1857.063       178.0747 1836.276       152.5514 250.0411 12.18005 249.0507 10.46760 0.9903412      16.06002 
1 1 1 9   11 35 o 207.3789 8.622910 1270.549       104.6455 1310.987       165.1931 1243.446       135.2420 209.5398 13.51441 204.6019 11.31477 4.937912       17.62565 
1 1 1 9   11 36 o 145.1143 11.94748 629.2548       100.7804 585.7350       162.3890 656.5171       128.5271 137.3948 20.80307 147.4509 15.07456 -10.05611      25.69066 
1 1 1 9   11 37 f 93.76935 17.94485 274.3593       95.09126 310.7145       164.7432 256.1951       116.4483 97.70371 27.56133 89.54684 22.26722 8.156876       35.43242 
1 1 1 9   11 38 o 33.50242 15.86207 -92.83382      82.90027 -81.75283      155.9412 -97.19913      97.87659 51.05759 23.33091 37.19460 17.49544 13.86299       29.16199 
1 1 1 9   11 39 o 43.33843 18.35535 9.942045       80.67988 40.66999       82.47302 -673.7385      389.0199 48.14338 19.26770 60.95910 30.08857 -12.81572      35.72906 
1 1 1 9   11 40 o 298.7809 8.090758 2648.710       141.6422 2627.521       149.9337 2824.547       431.9151 297.3540 8.606611 294.0584 25.29003 3.295563       26.71441 
1 1 1 9   11 41 o 118.1438 14.13405 429.7693       95.99183 431.9477       99.02065 395.7867       391.1045 118.2685 14.58459 104.9588 41.97461 13.30968       44.43622 
1 1 1 9   11 42 o 42.60963 18.73600 -11.31281      90.48994 18.77948       93.33312 -482.7798      369.4314 46.77975 19.77425 61.88561 30.29897 -15.10585      36.18077 
1 1 1 9   11 43 o 82.85493 19.97145 227.4930       95.90114 231.9530       98.92135 157.7807       391.0893 83.51393 20.37938 86.98713 38.56769 -3.473198      43.62094 
1 1 1 9   11 44 o 79.39552 20.85365 212.1342       98.33456 207.6633       101.8800 273.0376       376.0221 78.35078 21.51676 91.42216 39.19987 -13.07138      44.71690 
1 1 1 9   11 45 o 35.52369 16.95621 -111.5732      98.65646 -107.2742      101.9825 -174.2743      389.4737 36.60180 17.40569 70.71078 33.73477 -34.10899      37.96041 
1 1 1 9   11 46 o 108.4365 18.74545 387.3141       114.9013 390.5844       119.6326 348.4063       412.6466 108.4106 19.53441 93.45896 40.57166 14.95162       45.02947 
1 1 1 9   11 47 o 73.84476 23.86918 191.2471       117.8213 211.0757       122.7561 -40.60628      419.7633 77.06964 24.30546 75.47786 35.72311 1.591782       43.20759 
1 1 1 9   11 48 o 45.26748 20.69148 -44.38885      122.7773 -34.42888      127.3463 -175.7660      462.5060 46.89953 21.29580 73.18821 35.38682 -26.28868      41.30059 
1 1 1 9   12 0  o 481.4218 12.30486 6810.758       347.1336 7050.642       497.3468 6582.883       484.7381 489.3237 17.35806 472.7747 17.51272 16.54901       24.65761 
1 1 1 9   12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   12 2  o 921.8192 21.41267 25028.69       1157.623 26048.31       1686.093 24119.48       1592.192 937.7330 30.69994 902.4792 30.12429 35.25372       43.01115 
1 1 1 9   12 3  f 564.0909 10.40056 9340.539       344.0777 9347.438       403.4198 9322.126       659.0634 564.1891 12.19220 562.3907 20.01389 1.798401       23.43513 
1 1 1 9   12 4  o 319.3188 8.034836 2993.748       150.3512 3046.387       178.4678 2865.040       279.0661 322.0383 9.459601 311.8494 15.30525 10.18890       17.99263 
1 1 1 9   12 5  o 732.8600 12.71320 15774.18       546.4199 15809.13       637.7831 15677.73       1059.500 733.4636 14.82668 728.5883 24.83152 4.875244       28.92118 
1 1 1 9   12 6  o 259.0720 8.368244 1971.576       126.9800 1978.117       148.7980 1954.047       243.5818 259.4189 9.797750 257.3001 16.22449 2.118713       18.95337 
1 1 1 9   12 7  o 270.1936 10.15675 2146.011       160.6595 2146.011       160.6595 0.000000       0.000000 270.1936 10.15675 ?        ?        0.000000       10.15675 
1 1 1 9   12 8  o 864.6486 17.23170 21989.95       873.8124 21989.95       873.8124 0.000000       0.000000 864.6486 17.23170 ?        ?        0.000000       17.23170 
1 1 1 9   12 9  o 359.0007 16.33423 3797.719       343.0088 3797.719       343.0088 0.000000       0.000000 359.0007 16.33423 ?        ?        0.000000       16.33423 
1 1 1 9   12 10 o 541.8323 11.97544 8622.389       380.5459 8492.897       617.6124 8701.636       483.1569 536.6856 19.65530 543.8515 15.16287 -7.165894      24.82425 
1 1 1 9   12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   12 12 o 832.9178 11.39772 20375.05       556.7632 19905.19       830.0343 20759.38       750.6945 822.4422 17.20839 840.2243 15.23412 -17.78210      22.98276 
1 1 1 9   12 13 o 749.8384 13.38859 16525.03       588.7801 18023.72       941.6592 15563.03       754.4420 781.6342 20.55971 727.0702 17.69290 54.56396       27.12453 
1 1 1 9   12 14 o 632.5728 11.70440 11755.61       434.2205 11947.73       648.5764 11599.54       584.5616 636.7775 17.38319 627.6717 15.89266 9.105835       23.55317 
1 1 1 9   12 15 o 438.9239 9.241936 5656.625       237.9045 5551.597       356.5137 5740.940       319.4285 434.2432 14.01723 441.7897 12.34051 -7.546539      18.67541 
1 1 1 9   12 16 o 490.1278 9.722761 7055.673       279.4792 6795.715       401.6505 7299.680       389.1332 480.3583 14.27297 498.0012 13.33547 -17.64294      19.53337 
1 1 1 9   12 17 o 122.1729 11.56178 442.7083       81.85634 362.5240       186.1083 461.9406       91.14591 108.4213 28.78877 124.6879 12.63852 -16.26659      31.44083 
1 1 1 9   12 18 o 330.9273 7.266607 3214.981       141.0311 3165.219       255.0161 3236.906       169.2719 327.6535 13.29859 331.8584 8.704759 -4.204865      15.89419 
1 1 1 9   12 19 o 206.1446 7.628773 1249.595       92.07195 1270.806       192.1481 1243.273       104.8989 206.9341 15.95579 205.5341 8.722173 1.399948       18.18415 
1 1 1 9   12 20 o 359.6448 6.377932 3797.122       134.5254 3635.665       188.4011 3965.068       192.1495 351.5898 9.144614 367.3158 8.919677 -15.72595      12.77437 
1 1 1 9   12 21 o 340.6202 6.327066 3406.450       126.3931 3375.710       186.4152 3432.605       171.9530 338.6971 9.393748 341.6392 8.588872 -2.942078      12.72836 
1 1 1 9   12 22 o 260.1317 6.229605 1986.962       95.03955 2104.031       153.3004 1913.878       121.1256 267.2439 9.797619 255.0564 8.107770 12.18758       12.71728 
1 1 1 9   12 23 o 271.7013 6.471319 2168.163       103.1181 2061.261       155.6526 2251.779       137.6612 264.4339 10.05496 276.6032 8.496089 -12.16931      13.16381 
1 1 1 9   12 24 o 94.27621 12.78430 267.0845       68.86561 253.3826       128.4182 272.6154       81.58926 90.28485 23.88675 94.81791 15.18430 -4.533058      28.30441 
1 1 1 9   12 25 o 472.5625 7.034348 6562.944       194.9547 6694.070       281.6368 6442.307       270.1376 476.7074 10.07365 467.7038 9.848353 9.003632       14.08789 
1 1 1 9   12 26 o 166.7001 7.897879 819.0682       76.99458 692.3722       131.1123 885.7578       95.12412 152.1719 14.88124 173.1901 9.400440 -21.01817      17.60169 
1 1 1 9   12 27 f 314.4460 6.564672 2905.310       121.0625 2965.387       181.6122 2857.265       162.4091 317.1415 9.775982 311.4455 8.900689 5.696045       13.22090 
1 1 1 9   12 28 o 115.6863 11.97390 399.1914       80.06660 166.1015       145.8685 499.7002       95.78595 77.17741 26.59243 129.4352 12.78504 -52.25782      29.50618 
1 1 1 9   12 29 o 387.1479 7.119824 4405.447       161.6578 4797.108       253.3132 4136.338       209.9746 403.2547 10.72046 374.6649 9.563753 28.58972       14.36640 
1 1 1 9   12 30 o 301.4519 7.372274 2671.773       130.3377 2599.685       195.0779 2729.902       175.1749 296.6339 11.23368 304.2463 9.830294 -7.612335      14.92750 
1 1 1 9   12 31 o 371.0248 7.270759 4048.139       158.2097 4096.733       232.2906 4006.093       216.0732 372.4948 10.64404 368.4940 10.00742 4.000793       14.60973 
1 1 1 9   12 32 o 202.9375 8.864561 1215.567       105.2497 984.0255       170.2926 1358.682       133.8822 181.0925 16.20521 214.2670 10.68784 -33.17458      19.41234 
1 1 1 9   12 33 o 394.9561 7.202375 4590.349       166.8303 4614.420       246.2274 4569.920       226.8317 395.0320 10.63773 393.4808 9.829461 1.551270       14.48377 
1 1 1 9   12 34 o 362.2386 7.253106 3862.844       154.0882 3769.492       222.9176 3948.259       213.2321 356.8729 10.66271 365.4593 9.957906 -8.586365      14.58949 
1 1 1 9   12 35 o 279.8889 7.715043 2309.916       126.5203 2327.362       192.2601 2296.590       168.0309 279.9341 11.73674 278.4780 10.30618 1.456146       15.61949 
1 1 1 9   12 36 o 337.2736 7.589906 3353.449       150.1306 3404.133       227.7551 3314.504       199.6447 338.4695 11.49021 334.4490 10.19024 4.020508       15.35793 
1 1 1 9   12 37 o 72.95599 20.07186 168.1915       88.56455 182.5299       90.87546 -103.0281      395.2357 75.87509 20.10322 82.37358 37.44814 -6.498489      42.50298 
1 1 1 9   12 38 o 89.44524 16.59018 250.1933       83.82433 261.0884       85.96733 39.79807       377.7760 91.39908 16.65094 86.25719 38.09083 5.141884       41.57121 
1 1 1 9   12 39 o 193.0981 9.653536 1112.100       108.9772 1133.441       113.5950 865.5031       386.1356 194.8364 9.974388 148.7782 42.27295 46.05826       43.43375 
1 1 1 9   12 40 o 120.5931 14.36334 447.3932       99.59067 500.5692       103.0443 -306.2530      387.9265 127.7934 13.97645 70.27593 33.56595 57.51742       36.35951 
1 1 1 9   12 41 o 71.10952 20.67006 164.8289       91.32639 134.5129       93.89095 697.1455       393.4347 65.29840 21.32274 128.1657 43.68792 -62.86729      48.61372 
1 1 1 9   12 42 o 95.24966 18.84929 294.7511       101.5662 279.4992       105.2274 502.5607       388.4178 92.15574 20.04167 109.5565 42.42597 -17.40077      46.92155 
1 1 1 9   12 43 o 199.1266 10.51934 1196.205       122.4123 1254.065       128.4796 626.6507       403.1020 203.7499 10.79040 116.9891 43.70601 86.76082       45.01831 
1 1 1 9   12 44 o 79.37266 22.67785 216.1048       110.8225 229.1740       115.3665 59.93486       398.7995 81.52813 23.08673 80.98952 37.12172 0.5386047      43.71521 
1 1 1 9   12 45 o 60.00119 22.95061 101.1097       112.6816 123.2273       117.5758 -148.0950      394.6638 63.63480 23.63728 71.62335 34.11100 -7.988556      41.50038 
1 1 1 9   12 46 o 46.40649 20.40579 -1.954980      107.3412 -13.83994      111.1906 160.8331       411.5102 45.97512 20.46384 83.86662 38.15986 -37.89150      43.30062 
1 1 1 9   12 47 o 108.2396 20.39157 396.4671       124.6982 448.0564       130.1728 -178.4515      434.5538 115.5494 19.92856 71.73512 34.58936 43.81423       39.91956 
1 1 1 9   12 48 o 113.6276 18.64263 428.3325       119.9298 447.8506       125.3806 218.3820       411.2156 115.9046 19.11047 84.46098 38.31844 31.44360       42.81954 
1 1 1 9   13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   13 1  f 682.5712 16.32193 13697.93       653.3863 14127.77       941.4449 13298.48       907.5428 691.8862 23.23412 671.2766 23.08671 20.60956       32.75394 
1 1 1 9   13 2  o 468.0713 9.465053 6430.260       259.8278 6370.045       308.0683 6578.649       483.6066 465.7883 11.27737 472.6184 17.47752 -6.830139      20.80006 
1 1 1 9   13 3  o 404.5812 8.892898 4803.666       211.0083 4822.780       253.3051 4760.331       381.4029 405.1756 10.66911 402.0622 16.20807 3.113342       19.40442 
1 1 1 9   13 4  o 526.9696 11.92956 8154.757       368.6894 7708.897       453.2603 9026.631       633.8337 511.9191 15.11373 553.4185 19.55935 -41.49939      24.71827 
1 1 1 9   13 5  o 126.4505 10.59327 472.6950       77.83855 522.9950       87.35590 278.8541       171.4870 132.9840 11.30776 96.37724 28.41051 36.60679       30.57813 
1 1 1 9   13 6  f 316.7867 8.705168 2947.279       161.5782 3027.626       192.6668 2756.808       296.6451 320.9852 10.24774 305.7327 16.60650 15.25244       19.51389 
1 1 1 9   13 7  o 412.0884 11.04921 4989.659       266.7965 4989.659       266.7965 0.000000       0.000000 412.0884 11.04921 ?        ?        0.000000       11.04921 
1 1 1 9   13 8  o 312.1964 18.49126 2878.573       337.0508 2878.573       337.0508 0.000000       0.000000 312.1964 18.49126 ?        ?        0.000000       18.49126 
1 1 1 9   13 9  o 1172.507 23.67935 40565.13       1628.305 40565.13       1628.305 0.000000       0.000000 1172.507 23.67935 ?        ?        0.000000       23.67935 
1 1 1 9   13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   13 11 o 461.4081 10.74272 6251.721       290.7034 5859.663       454.0382 6524.094       378.4428 445.8645 17.39695 470.9463 13.71644 -25.08179      22.15388 
1 1 1 9   13 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   13 13 f 454.2387 8.243990 6056.079       219.6201 6330.754       305.9015 5763.895       315.5005 464.2411 11.23537 442.7383 12.16225 21.50278       16.55759 
1 1 1 9   13 14 o 767.0859 13.55095 17302.61       609.6271 17545.56       891.5049 17089.22       835.5031 771.0110 19.73193 761.3871 18.71078 9.623962       27.19270 
1 1 1 9   13 15 o 404.4030 7.704320 4800.498       182.7255 4810.219       336.4214 4796.430       217.6239 404.0764 14.21828 404.1463 9.181581 -0.6985474E-01 16.92515 
1 1 1 9   13 16 o 304.3130 7.383924 2718.381       131.7827 2445.868       243.4698 2831.302       156.7256 287.8766 14.46713 310.3922 8.617855 -22.51569      16.83940 
1 1 1 9   13 17 o 425.7002 10.42034 5326.290       260.1574 5181.050       336.7697 5541.238       409.6937 419.2832 13.71386 433.2135 16.15356 -13.93027      21.18979 
1 1 1 9   13 18 o 699.7094 10.35703 14393.24       425.0141 13795.53       695.4545 14749.55       536.9532 683.2424 17.36983 707.8149 12.93499 -24.57251      21.65699 
1 1 1 9   13 19 o 228.4051 7.337459 1533.571       98.16080 1348.805       194.6031 1596.625       113.6830 213.2048 15.67285 232.9762 8.333614 -19.77144      17.75070 
1 1 1 9   13 20 o 138.0800 8.798612 562.6543       70.88107 508.9596       175.4387 573.1289       77.48689 128.6229 24.14364 139.2876 9.543273 -10.66466      25.96130 
1 1 1 9   13 21 o 344.1336 7.106362 3478.653       143.4250 3382.290       245.5239 3528.570       176.7103 338.5266 12.38749 346.3383 8.706735 -7.811768      15.14124 
1 1 1 9   13 22 o 310.6628 6.354365 2834.282       115.7742 2831.793       171.5345 2836.365       156.9013 310.1067 9.442700 310.4644 8.625518 -0.3577576     12.78922 
1 1 1 9   13 23 o 175.9991 7.712570 912.2238       79.41534 1081.196       135.9588 824.7158       97.84164 191.0678 12.19672 167.0698 10.03183 23.99797       15.79233 
1 1 1 9   13 24 o 45.09523 17.13279 42.83561       62.52507 129.9636       124.0992 13.19415       72.38356 69.65314 24.49520 42.47406 17.64606 27.17908       30.18937 
1 1 1 9   13 25 o 195.5731 7.126319 1125.698       81.60149 1111.598       140.2901 1132.908       100.3178 193.6250 12.41970 196.0191 8.748319 -2.394058      15.19151 
1 1 1 9   13 26 o 290.6875 7.342486 2485.702       125.0755 2472.251       249.8243 2490.201       144.4878 288.5041 14.81457 290.7971 8.481150 -2.293091      17.07048 
1 1 1 9   13 27 o 258.4127 6.779597 1963.718       102.6580 2233.914       169.9919 1808.613       128.7958 275.0922 10.55616 247.7346 8.879066 27.35760       13.79385 
1 1 1 9   13 28 o 215.3029 8.149080 1365.424       102.7127 1334.132       172.6425 1382.569       127.7892 211.8971 13.97018 216.3948 10.09708 -4.497681      17.23708 
1 1 1 9   13 29 o 522.0302 7.886889 8014.705       241.4637 7785.027       334.8525 8263.514       348.5198 513.7537 11.11343 529.2748 11.22783 -15.52106      15.79786 
1 1 1 9   13 30 o 183.5513 8.896033 994.2049       95.47932 1035.622       167.1936 974.1614       116.3104 186.1902 15.45032 181.3867 10.98507 4.803497       18.95743 
1 1 1 9   13 31 o 473.8466 7.524583 6605.028       209.1080 6680.231       301.6358 6535.445       290.1456 475.7348 10.81104 470.6348 10.51191 5.100006       15.07908 
1 1 1 9   13 32 o 257.9547 7.804320 1960.557       117.9313 1817.998       188.0764 2052.926       151.3905 247.3327 13.01165 263.6067 9.809568 -16.27399      16.29511 
1 1 1 9   13 33 o 283.6194 7.469534 2369.761       124.1372 2200.417       190.8012 2494.057       163.4648 272.2947 11.97720 290.5322 9.606762 -18.23749      15.35393 
1 1 1 9   13 34 o 268.2030 11.00179 2132.486       172.6850 2084.010       188.0039 2394.113       436.7589 264.8200 12.13729 276.8163 27.25609 -11.99634      29.83636 
1 1 1 9   13 35 o 142.3191 11.91473 605.1590       98.53649 622.9054       101.5155 316.0293       409.7549 144.3630 12.10145 109.7834 43.26482 34.57951       44.92538 
1 1 1 9   13 36 o 97.77317 17.18165 296.1775       94.92851 309.5908       97.64483 65.10342       405.2828 99.98665 17.27622 92.50395 40.18214 7.482697       43.73869 
1 1 1 9   13 37 o 30.83251 14.85725 -117.9427      79.86506 -145.9017      81.56332 532.5636       393.4232 29.53650 14.41263 122.3754 43.55977 -92.83890      45.88221 
1 1 1 9   13 38 o 135.2369 12.58083 552.9557       98.63824 585.5739       101.9231 71.24467       391.6844 139.1853 12.62329 88.34638 38.90873 50.83894       40.90522 
1 1 1 9   13 39 o 113.0017 14.31860 392.5608       92.76616 391.7938       96.10915 403.0144       354.8123 112.6762 14.90948 106.6989 40.74698 5.977333       43.38904 
1 1 1 9   13 40 o 224.4590 9.001981 1501.431       118.2616 1498.345       123.3594 1536.478       415.6795 224.0626 9.408489 205.0242 35.87638 19.03838       37.08955 
1 1 1 9   13 41 o 153.1848 12.19229 712.8265       108.6315 706.7824       113.0765 785.2004       391.2893 152.2720 12.77979 135.2414 43.47925 17.03061       45.31852 
1 1 1 9   13 42 f 101.6978 17.54202 331.6208       100.8479 337.5829       104.6264 253.5200       378.6782 102.3638 18.08930 92.00547 39.39167 10.35829       43.34659 
1 1 1 9   13 43 o 110.0793 18.02084 390.9061       112.3187 373.5275       117.0643 592.3102       398.5212 106.8114 19.40214 113.6723 43.23821 -6.860931      47.39183 
1 1 1 9   13 44 o 129.7667 16.48474 535.8839       122.6299 484.7475       128.0960 1096.985       424.3174 122.1647 18.45359 152.0329 44.65602 -29.86820      48.31868 
1 1 1 9   13 45 o 65.17597 23.06702 137.1249       110.1847 152.1210       114.3417 -57.93926      412.3864 67.77603 23.53461 75.60065 35.66856 -7.824623      42.73317 
1 1 1 9   13 46 o 52.02605 21.90840 40.35425       113.8638 70.45383       119.0073 -285.4509      391.5365 56.32158 22.92805 66.20095 32.13837 -9.879368      39.47873 
1 1 1 9   13 47 o 54.88054 22.73284 59.64719       119.6315 33.54863       123.9096 418.1389       459.2364 52.60301 22.52768 94.99599 41.97144 -42.39298      47.63506 
1 1 1 9   13 48 o 67.04275 24.47028 150.2306       125.0922 184.4260       129.7582 -299.7557      470.7071 72.23763 25.07174 69.80013 34.17952 2.437492       42.38905 
1 1 1 9   14 0  o 595.5988 14.56860 10424.99       508.8879 10938.72       739.6931 9963.335       701.2010 609.0690 20.73808 581.2692 20.60165 27.79974       29.23176 
1 1 1 9   14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 2  o 858.6744 14.64775 21669.12       737.6494 21479.35       854.7214 22223.01       1460.246 854.5697 17.05401 866.3731 28.77886 -11.80341      33.45238 
1 1 1 9   14 3  o 574.5625 10.80835 9692.237       364.2059 9699.876       430.8130 9673.105       681.8468 574.6494 12.78308 572.7551 20.33090 1.894226       24.01568 
1 1 1 9   14 4  o 604.7166 11.11636 10737.18       394.2441 10580.52       457.7118 11187.50       776.0189 600.1448 13.00426 615.7968 21.52050 -15.65192      25.14444 
1 1 1 9   14 5  o 338.3132 8.815515 3361.345       174.7619 3387.691       207.7154 3297.504       323.3420 339.5345 10.44362 334.4440 16.53625 5.090546       19.55803 
1 1 1 9   14 6  o 208.0791 9.407086 1273.442       114.5010 1342.421       131.4020 1055.840       233.3852 213.5740 10.52307 188.0683 21.54825 25.50574       23.98046 
1 1 1 9   14 7  o 615.7166 11.50181 11133.25       415.3342 11208.77       489.2405 10938.37       785.8815 617.6293 13.50654 608.7147 22.05012 8.914612       25.85796 
1 1 1 9   14 8  o 500.6954 12.60463 7369.435       369.8358 6987.903       474.1937 7961.905       590.9127 487.1066 16.62333 519.5877 19.42582 -32.48108      25.56751 
1 1 1 9   14 9  o 265.7329 12.53482 2079.143       194.7996 2079.143       194.7996 0.000000       0.000000 265.7329 12.53482 ?        ?        0.000000       12.53482 
1 1 1 9   14 10 o 841.2045 13.34023 20796.39       658.1354 21729.82       876.6542 19590.86       996.2648 859.2084 17.39720 814.8911 20.86325 44.31726       27.16501 
1 1 1 9   14 11 o 587.9487 8.542899 10146.46       294.5746 10311.29       450.1015 10022.97       389.6002 592.3369 12.95660 584.1443 11.37231 8.192627       17.23957 
1 1 1 9   14 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 13 o 590.3887 8.348586 10232.06       289.0690 10322.22       436.1261 10161.41       386.0496 592.5839 12.54908 588.0954 11.19296 4.488464       16.81552 
1 1 1 9   14 14 o 517.9984 12.60929 7889.709       383.0624 7647.059       562.3345 8099.793       523.2399 508.7684 18.87896 523.9866 17.04939 -15.21820      25.43809 
1 1 1 9   14 15 o 496.7188 10.38106 7249.896       302.4146 0.000000       0.000000 7249.896       302.4146 ?        ?        496.7188 10.38106 0.000000       10.38106 
1 1 1 9   14 16 o 304.7258 7.200379 2725.926       128.6812 2520.415       234.5271 2814.445       153.9194 292.2760 13.72029 309.4521 8.489062 -17.17612      16.13414 
1 1 1 9   14 17 o 768.9919 11.25123 17392.14       507.4255 16580.53       819.0028 17897.78       646.4469 748.8992 18.64711 779.4209 14.14198 -30.52173      23.40321 
1 1 1 9   14 18 o 594.4003 9.260296 10383.92       322.8156 9844.629       521.2952 10719.36       411.1312 577.4052 15.40781 603.5339 11.61524 -26.12866      19.29545 
1 1 1 9   14 19 o 119.3589 9.547156 421.5439       66.27444 -9.858402      157.6987 514.0812       73.03742 58.79535 25.30056 131.8898 9.506207 -73.09447      27.02751 
1 1 1 9   14 20 o 586.2948 9.068648 10107.16       311.8237 9738.521       515.9464 10319.29       391.3931 573.8595 15.34399 591.9791 11.27343 -18.11963      19.04018 
1 1 1 9   14 21 o 100.4460 10.80578 300.4889       62.65600 65.14449       169.3671 337.8043       67.44058 68.01017 27.47400 106.5472 10.94827 -38.53706      29.57508 
1 1 1 9   14 22 o 462.2387 9.080483 6285.673       246.1647 6805.427       402.3011 5974.603       311.2299 479.6172 14.31834 450.0052 11.80289 29.61194       18.55594 
1 1 1 9   14 23 o 145.9114 7.949718 627.8397       67.77161 816.1104       131.7455 560.0919       79.03003 165.6120 13.68626 137.5688 9.860795 28.04329       16.86858 
1 1 1 9   14 24 o 102.6247 10.27114 313.3642       60.98903 261.9424       125.7775 329.1714       69.73588 91.65364 23.34004 105.0182 11.51086 -13.36456      26.02417 
1 1 1 9   14 25 o 188.7121 7.126127 1048.261       78.72684 1137.639       144.4198 1010.472       93.90635 195.8335 12.64200 185.1034 8.674404 10.73006       15.33185 
1 1 1 9   14 26 o 145.5892 8.328218 625.6037       70.81350 645.1724       135.9118 618.3120       82.96436 146.5951 16.07154 144.5488 9.845244 2.046280       18.84737 
1 1 1 9   14 27 o 117.6598 10.99425 411.7296       74.98711 257.0205       142.8703 470.5536       88.09702 90.96128 25.66905 125.6795 12.10159 -34.71824      28.37867 
1 1 1 9   14 28 o 300.8502 7.027669 2660.222       123.9973 2980.754       209.2823 2486.835       153.9231 317.6958 11.25011 290.5232 9.044863 27.17258       14.43518 
1 1 1 9   14 29 o 25.89426 12.87688 -190.0252      76.39163 -445.4670      163.9653 -119.2056      86.33417 36.57056 18.29146 32.88323 15.74091 3.687336       24.13201 
1 1 1 9   14 30 o 239.4395 7.631811 1688.141       107.0333 1694.252       185.3013 1685.081       131.1189 238.8793 13.27889 238.9717 9.373708 -0.9243774E-01 16.25409 
1 1 1 9   14 31 o 76.46880 27.40986 156.3617       156.0515 323.3568       171.3894 -653.3731      377.4013 101.0771 27.96653 63.01646 30.80407 38.06067       41.60550 
1 1 1 9   14 32 o 155.7055 10.94339 720.1487       99.29604 720.7265       102.2514 710.5839       416.0156 155.7075 11.27353 144.5806 44.61494 11.12694       46.01723 
1 1 1 9   14 33 o 256.2492 8.425774 1937.708       126.4538 1955.844       133.5560 1780.659       393.0096 257.3612 8.861729 237.8337 28.75937 19.52745       30.09372 
1 1 1 9   14 34 o 302.4702 8.230311 2699.313       145.8631 2690.246       154.3937 2774.632       444.9784 301.8456 8.730735 298.9108 25.63039 2.934814       27.07660 
1 1 1 9   14 35 o 181.0903 10.24115 973.8204       108.3231 988.2859       111.8131 752.8924       436.9699 182.3769 10.49812 144.9319 45.87659 37.44505       47.06243 
1 1 1 9   14 36 o 210.1772 10.45315 1313.523       128.4453 1404.508       136.3699 598.2238       382.3636 217.2703 10.73531 129.6760 43.06275 87.59431       44.38071 
1 1 1 9   14 37 o 180.5336 10.15556 971.5318       107.0922 1001.114       110.9714 570.4561       408.6086 183.2066 10.37042 124.3450 44.37826 58.86163       45.57385 
1 1 1 9   14 38 o 268.1863 8.343226 2133.742       131.0668 2161.739       138.1712 1882.310       414.0744 269.7886 8.744144 235.6959 30.68310 34.09268       31.90475 
1 1 1 9   14 39 o 195.6147 9.721725 1143.097       111.1815 1150.629       115.4010 1045.712       414.9496 196.1301 10.06631 161.5031 43.03459 34.62697       44.19622 
1 1 1 9   14 40 f 47.88227 20.01014 25.01482       93.87653 19.88076       96.37180 120.3244       415.2291 47.73718 20.13183 89.33696 39.66769 -41.59978      44.48389 
1 1 1 9   14 41 o 197.6074 9.967477 1172.081       115.1421 1159.915       120.2428 1306.421       399.5677 196.3386 10.48043 182.7094 38.50517 13.62921       39.90599 
1 1 1 9   14 42 o 56.17472 21.70090 79.09448       101.4400 66.29543       105.1742 249.7961       384.0952 54.86550 21.82464 91.58137 39.44788 -36.71587      45.08271 
1 1 1 9   14 43 o 92.97984 20.52422 288.9631       108.9198 317.3233       112.7426 -108.0854      421.8471 97.64162 20.34890 76.27236 36.01274 21.36926       41.36418 
1 1 1 9   14 44 o 79.18385 22.79703 216.7672       111.5813 231.6268       115.3772 2.015623       438.6166 81.67233 23.07421 80.01896 37.44628 1.653366       43.98458 
1 1 1 9   14 45 o 107.7838 19.21797 384.9319       117.0260 380.3354       121.8732 439.2926       419.1210 106.4667 20.25832 98.51141 41.78437 7.955315       46.43634 
1 1 1 9   14 46 o 152.4592 14.11400 728.5381       124.7662 770.6813       130.9203 311.6222       411.7817 156.6229 14.41440 89.97593 39.74907 66.64693       42.28195 
1 1 1 9   14 47 o 104.7284 21.64644 378.5913       128.5571 413.6828       134.5758 12.39507       434.7339 109.5496 21.71383 77.51407 36.58679 32.03551       42.54508 
1 1 1 9   15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 1  o 449.7604 11.86292 5944.956       312.6396 5955.812       434.0127 5933.246       450.7398 449.7072 16.48381 448.7733 17.15730 0.9338684      23.79262 
1 1 1 9   15 2  o 162.5518 9.339379 778.1168       88.66010 844.9376       104.6967 608.7239       166.6959 169.3129 10.59682 142.3031 20.56991 27.00977       23.13901 
1 1 1 9   15 3  o 300.6047 8.658990 2654.180       152.4968 2653.049       186.6158 2656.454       264.5691 300.4163 10.60856 300.2309 15.07387 0.1853943      18.43266 
1 1 1 9   15 4  o 396.8554 9.335433 4622.832       217.2788 4621.238       262.9970 4626.258       385.6365 396.5355 11.32043 396.2380 16.63176 0.2974548      20.11884 
1 1 1 9   15 5  f 282.4854 8.867212 2344.378       146.7220 2315.838       171.5800 2422.027       283.0152 280.6566 10.44237 286.4336 16.92290 -5.777039      19.88536 
1 1 1 9   15 6  o 551.3970 13.11437 8933.473       424.0941 9256.758       568.5441 8527.962       636.7547 560.6040 17.31324 537.6197 20.23122 22.98431       26.62800 
1 1 1 9   15 7  o 665.4773 12.22637 13009.68       477.1791 13151.01       565.5892 12660.61       888.8688 668.8480 14.41860 654.5634 23.19115 14.28455       27.30797 
1 1 1 9   15 8  o 561.1409 10.56105 9246.277       347.5598 9715.827       437.9369 8447.294       571.2680 575.0085 12.98634 535.3094 18.22293 39.69904       22.37678 
1 1 1 9   15 9  o 387.7042 14.78206 4426.635       335.4978 4426.635       335.4978 0.000000       0.000000 387.7042 14.78206 ?        ?        0.000000       14.78206 
1 1 1 9   15 10 o 158.5144 10.82754 741.4084       100.0538 741.4084       100.0538 0.000000       0.000000 158.5144 10.82754 ?        ?        0.000000       10.82754 
1 1 1 9   15 11 o 467.1360 10.62923 6409.482       291.2029 5638.009       422.2556 7109.159       402.1273 437.3080 16.49364 491.4824 13.96515 -54.17435      21.61170 
1 1 1 9   15 12 o 484.5730 7.567582 6891.869       215.0636 6524.318       306.9265 7246.396       301.4395 471.2256 11.10593 496.6824 10.34834 -25.45676      15.17992 
1 1 1 9   15 13 o 857.6385 16.68228 21675.08       839.0934 21675.08       839.0934 0.000000       0.000000 857.6385 16.68228 ?        ?        0.000000       16.68228 
1 1 1 9   15 14 o 318.3831 8.734784 2979.119       162.9454 3047.526       185.4669 2747.648       341.1640 321.9253 9.834909 304.4254 19.20663 17.49994       21.57824 
1 1 1 9   15 15 o 606.2279 8.567501 10793.76       304.6075 10356.03       429.5714 11236.45       431.9992 593.3086 12.34537 618.0828 11.91752 -24.77423      17.15912 
1 1 1 9   15 16 o 157.8459 7.617568 733.3092       70.30984 806.5309       182.3367 720.5202       76.20307 164.0206 19.32559 156.4026 8.337775 7.617996       21.04749 
1 1 1 9   15 17 o 76.72432 13.22020 178.2935       57.33997 -142.7241      165.8793 221.8572       61.10690 50.41455 23.40262 85.92004 12.49248 -35.50550      26.52819 
1 1 1 9   15 18 o 370.3804 7.285105 4028.963       158.2466 3838.930       276.9244 4121.106       192.8327 360.6771 13.11341 374.4598 8.780617 -13.78278      15.78166 
1 1 1 9   15 19 o 382.5436 7.396937 4298.910       165.9523 3907.637       269.1047 4539.027       210.8104 363.8825 12.62898 392.8963 9.148787 -29.01376      15.59460 
1 1 1 9   15 20 o 121.0964 8.742397 433.4099       61.67068 359.5907       153.9429 447.5216       67.30772 107.4758 24.91014 122.9880 9.402794 -15.51221      26.62570 
1 1 1 9   15 21 o 631.6043 9.589034 11739.50       355.1980 11240.86       579.7606 12039.14       449.4219 615.8775 16.06478 638.9769 11.99274 -23.09937      20.04752 
1 1 1 9   15 22 o 169.0883 7.260863 841.7901       71.83549 890.0109       171.9698 831.5975       79.06390 172.3132 17.24861 167.9817 8.048800 4.331467       19.03412 
1 1 1 9   15 23 o 303.6176 6.160727 2707.794       109.7007 2672.165       166.1517 2735.328       146.0629 301.1248 9.419813 304.8510 8.177005 -3.726105      12.47382 
1 1 1 9   15 24 o 145.4017 7.527766 623.2548       63.97422 585.8411       133.7111 634.3620       72.85409 139.4858 16.67505 146.5881 8.510916 -7.102325      18.72146 
1 1 1 9   15 25 o 56.80824 15.75105 98.60258       54.30267 283.2701       140.0625 65.93398       58.91039 95.16021 24.83644 49.23847 16.90195 45.92174       30.04205 
1 1 1 9   15 26 o 361.9450 6.587862 3849.371       139.8420 3879.006       209.6709 3825.626       187.6837 362.7456 9.864811 360.5282 8.876398 2.217377       13.27045 
1 1 1 9   15 27 o 119.7089 10.85081 425.9185       75.35306 214.4663       154.7719 491.6127       86.26794 84.89787 27.34980 128.5718 11.56414 -43.67395      29.69412 
1 1 1 9   15 28 o 505.7635 8.473414 7526.687       251.3370 7550.259       281.2991 7433.382       559.6588 506.3386 9.472768 498.7700 19.16821 7.568542       21.38115 
1 1 1 9   15 29 o 208.0619 8.894908 1276.878       108.2882 1277.942       112.3112 1262.814       408.2526 208.1029 9.225186 198.3080 36.44513 9.794952       37.59457 
1 1 1 9   15 30 o 44.48886 18.14199 23.26486       74.66197 37.86017       76.19237 -329.1471      374.3951 47.16816 18.63537 73.28455 34.39128 -26.11639      39.11569 
1 1 1 9   15 31 o 86.32593 16.96269 229.9342       82.81464 214.8228       84.57207 582.2410       408.3516 83.21357 17.86354 133.4187 44.50740 -50.20513      47.95847 
1 1 1 9   15 32 o 46.23470 18.80145 27.27065       79.92188 26.22058       81.70148 50.59044       385.0200 46.48851 18.97022 91.85728 39.53028 -45.36876      43.84646 
1 1 1 9   15 33 o 83.80556 18.17902 218.9406       86.77425 250.8502       88.81004 -453.2398      407.6097 89.99354 17.45675 71.92399 34.36784 18.06955       38.54720 
1 1 1 9   15 34 o 157.7544 11.38217 741.5021       104.5989 729.2954       107.5979 951.3682       446.1451 156.3465 11.82212 163.4385 45.08324 -7.091995      46.60752 
1 1 1 9   15 35 o 189.4385 10.41220 1066.616       115.2360 1063.195       119.4147 1112.949       439.4551 189.0337 10.81644 176.6240 42.86393 12.40968       44.20760 
1 1 1 9   15 36 o 284.4478 8.709599 2396.021       145.1240 2492.370       154.1412 1644.048       430.6206 289.9952 9.074282 220.3064 34.45675 69.68881       35.63159 
1 1 1 9   15 37 o 151.2530 11.50915 687.2104       101.3269 697.1905       104.5243 531.5340       412.8219 152.2623 11.79704 119.8343 44.33242 32.42805       45.87520 
1 1 1 9   15 38 o 40.60631 18.04580 -23.06425      86.12201 -28.89474      88.00672 108.7064       418.3816 40.45884 18.09378 90.87117 40.10886 -50.41233      44.00120 
1 1 1 9   15 39 o 104.6561 15.91929 342.3017       94.63457 338.1810       97.51391 409.0038       392.3302 103.7498 16.58435 106.4359 42.21226 -2.686081      45.35323 
1 1 1 9   15 40 o 75.32995 26.25116 182.0105       142.3264 193.1710       151.8646 101.4431       408.0318 77.32735 27.10477 87.24010 38.99140 -9.912758      47.48682 
1 1 1 9   15 41 o 39.37934 18.17117 -61.51003      97.81499 -70.36635      101.0783 69.04179       388.0813 39.42218 18.28903 82.82726 37.43581 -43.40508      41.66447 
1 1 1 9   15 42 o 92.29004 19.82953 281.6852       104.1291 264.0559       107.8858 521.6796       398.0591 88.72033 21.05279 108.7622 42.70951 -20.04188      47.61641 
1 1 1 9   15 43 o 122.8904 16.06362 478.9523       113.0054 451.9571       116.8498 869.0809       444.2102 118.6363 17.30349 130.4390 46.30077 -11.80277      49.42845 
1 1 1 9   15 44 o 122.7814 16.51423 482.4546       115.9038 423.4551       120.3617 1234.981       429.8580 113.6097 18.71546 161.5036 44.13496 -47.89386      47.93916 
1 1 1 9   15 45 o 40.89726 18.93968 -63.81730      107.6752 -62.64729      111.7195 -79.10522      403.8390 41.84705 19.34881 73.84307 34.97586 -31.99602      39.97108 
1 1 1 9   15 46 o 95.79465 22.52427 321.6335       124.4021 360.6992       132.8138 42.20450       355.2069 101.3440 22.88842 74.70559 34.52723 26.63838       41.42475 
1 1 1 9   15 47 o 51.09764 21.92247 29.35258       117.7329 6.945567       124.2635 225.8775       368.0107 49.89608 21.94730 83.48999 37.19137 -33.59391      43.18428 
1 1 1 9   16 0  o 802.7790 15.67522 18952.06       738.0063 0.000000       0.000000 18952.06       738.0063 ?        ?        802.7790 15.67522 0.000000       15.67522 
1 1 1 9   16 1  o 641.0048 13.07293 12072.89       491.4562 0.000000       0.000000 12072.89       491.4562 ?        ?        641.0048 13.07293 0.000000       13.07293 
1 1 1 9   16 2  o 593.0723 10.11924 10326.66       351.9704 10992.41       652.7048 10053.69       417.9445 610.7943 18.24140 585.0229 12.18134 25.77136       21.93476 
1 1 1 9   16 3  f 511.1728 9.362511 7670.253       280.6794 7369.095       499.3455 7809.353       339.3648 500.1454 17.04864 515.6694 11.22134 -15.52399      20.41016 
1 1 1 9   16 4  o 279.6155 12.45443 2301.515       203.7251 1895.011       321.3508 2574.684       263.4279 252.5460 21.91310 295.5074 15.25158 -42.96138      26.69822 
1 1 1 9   16 5  o 608.7141 13.41618 10889.65       478.9528 10484.92       596.0027 11627.53       804.7484 596.6467 17.05006 627.4640 21.90217 -30.81726      27.75626 
1 1 1 9   16 6  o 415.4948 16.48172 5087.736       400.8261 5087.736       400.8261 0.000000       0.000000 415.4948 16.48172 ?        ?        0.000000       16.48172 
1 1 1 9   16 7  o 314.8611 8.797628 2912.304       162.2965 2923.382       193.8085 2886.300       296.9310 315.3408 10.49415 312.7758 16.24285 2.564972       19.33798 
1 1 1 9   16 8  o 1005.168 15.84628 29728.76       934.1499 30365.06       1233.449 28872.88       1430.526 1014.643 20.72800 988.2003 24.68313 26.44244       32.23207 
1 1 1 9   16 9  o 480.9392 11.26366 6795.070       317.7021 6795.070       317.7021 0.000000       0.000000 480.9392 11.26366 ?        ?        0.000000       11.26366 
1 1 1 9   16 10 o 284.4532 12.11441 2382.381       201.6360 2382.381       201.6360 0.000000       0.000000 284.4532 12.11441 ?        ?        0.000000       12.11441 
1 1 1 9   16 11 o 302.8175 8.085504 2693.829       143.4663 2821.706       228.3279 2610.407       184.4174 309.5333 12.60406 297.8947 10.57250 11.63861       16.45114 
1 1 1 9   16 12 o 795.4121 21.00850 18716.13       979.1686 0.000000       0.000000 18716.13       979.1686 ?        ?        795.4121 21.00850 0.000000       21.00850 
1 1 1 9   16 13 o 823.4185 11.03319 19930.58       532.8096 18759.10       735.3999 21224.98       773.0200 797.8541 15.71627 848.7238 15.53008 -50.86969      22.09490 
1 1 1 9   16 14 o 195.4526 5.779643 1122.017       66.17829 1122.016       104.6906 1122.018       85.40670 195.2154 9.169768 195.3479 7.468501 -0.1324158     11.82638 
1 1 1 9   16 15 o 331.1969 10.64555 3228.660       206.5097 3077.780       259.2199 3490.769       341.6602 322.9539 13.71727 343.4156 17.01683 -20.46173      21.85717 
1 1 1 9   16 16 o 395.4620 6.668750 4591.410       154.6677 4471.573       227.7118 4694.048       210.7393 389.8552 9.967540 399.6637 8.990839 -9.808563      13.42338 
1 1 1 9   16 17 o 85.82059 9.737396 219.3394       48.14476 298.4688       173.0323 212.6993       50.12411 98.56650 28.39225 84.40975 10.34094 14.15675       30.21680 
1 1 1 9   16 18 o 372.8080 7.445908 4082.986       162.7996 3450.952       261.8511 4481.235       207.8554 341.8493 13.08494 390.3947 9.078350 -48.54544      15.92583 
1 1 1 9   16 19 o 164.0563 15.08630 802.1496       143.5289 771.6730       163.5231 904.4153       299.5439 160.3961 17.67614 170.2993 31.13853 -9.903137      35.80578 
1 1 1 9   16 20 o 171.2803 6.898483 863.2326       69.15477 903.3713       181.2201 856.3912       74.81652 173.5325 18.07076 170.5459 7.498399 2.986633       19.56473 
1 1 1 9   16 21 o 483.2744 8.088231 6867.353       229.2439 6488.129       372.4744 7098.592       290.8572 468.3955 13.57349 490.9704 10.10122 -22.57489      16.91964 
1 1 1 9   16 22 o 273.9602 11.48528 2217.656       184.1261 2156.689       217.9399 2369.688       344.1569 269.7023 13.82461 280.7658 21.05408 -11.06351      25.18719 
1 1 1 9   16 23 o 278.5316 8.325430 2284.302       135.8451 2210.358       146.6760 2730.243       360.2015 273.8658 9.144928 301.5444 20.48948 -27.67859      22.43766 
1 1 1 9   16 24 o 99.25198 10.26559 293.3619       58.89342 274.7104       59.86637 853.2302       327.9969 95.92397 10.83074 163.0245 35.32785 -67.10053      36.95080 
1 1 1 9   16 25 o 232.2444 8.509764 1589.167       115.7120 1534.992       121.8469 2086.873       369.3193 228.1647 9.124146 262.1130 24.30168 -33.94826      25.95808 
1 1 1 9   16 26 o 177.1423 9.068046 926.0798       93.89423 960.9275       97.13133 429.2543       366.7533 180.4350 9.209306 120.5153 42.13034 59.91972       43.12513 
1 1 1 9   16 27 o 488.4521 8.423008 7019.726       241.2902 6799.618       262.4738 8220.573       613.0728 480.5543 9.313071 524.1823 19.97906 -43.62799      22.04305 
1 1 1 9   16 28 o 381.7940 7.823951 4287.519       175.1885 4291.433       191.9214 4267.960       428.9886 381.8518 8.569945 377.4814 19.44310 4.370422       21.24802 
1 1 1 9   16 29 o 190.4715 9.273508 1071.376       103.2803 1085.710       106.7462 861.3210       408.6247 191.7077 9.524102 160.6020 42.66468 31.10574       43.71480 
1 1 1 9   16 30 o 164.0809 9.949303 797.0833       95.29179 803.9818       97.92295 673.8651       413.8537 164.7546 10.18414 142.1704 44.59923 22.58424       45.74722 
1 1 1 9   16 31 o 54.72056 19.07769 81.14911       75.17380 67.18876       76.72888 415.1225       375.2897 52.28992 19.15220 117.3830 42.45120 -65.09313      46.57157 
1 1 1 9   16 32 o 98.67003 16.03520 298.0009       89.60895 302.5216       91.78473 206.0253       414.0027 99.36299 16.31638 103.6081 42.53932 -4.245079      45.56115 
1 1 1 9   16 33 o 261.0515 8.662162 2012.665       132.4345 1989.659       138.0676 2277.467       468.4186 259.4608 9.087419 267.5393 30.39149 -8.078491      31.72103 
1 1 1 9   16 34 o 186.2983 10.36948 1030.869       112.8495 995.2593       116.5089 1571.176       453.8329 182.9175 10.91016 216.2212 37.12569 -33.30370      38.69558 
1 1 1 9   16 35 f 61.28456 20.88538 108.3171       89.91472 124.9831       92.15366 -222.2165      410.3980 64.60088 21.12640 79.01253 36.72317 -14.41165      42.36645 
1 1 1 9   16 36 o 147.9301 11.22814 655.8134       96.68497 607.5258       99.32288 1528.825       422.3205 142.1208 12.02916 210.0879 35.54224 -67.96706      37.52269 
1 1 1 9   16 37 o 95.21803 16.98014 284.8733       91.34424 266.1470       93.80774 627.4306       401.2169 91.57607 18.10837 126.4661 44.07505 -34.89007      47.65001 
1 1 1 9   16 38 o 129.8707 13.35321 514.5972       100.2587 518.8668       103.3242 445.8275       414.6721 130.2709 13.73021 110.1958 43.49384 20.07513       45.60957 
1 1 1 9   16 39 o 245.0011 8.929711 1788.800       128.0940 1842.051       134.4256 1263.136       422.3501 248.4855 9.240334 178.9995 41.10087 69.48605       42.12677 
1 1 1 9   16 40 f 56.23581 21.43136 80.66087       98.02387 108.7682       101.2615 -337.9220      390.7737 61.08453 22.05643 68.09733 32.82663 -7.012802      39.54837 
1 1 1 9   16 41 o 162.0243 17.54555 831.9339       164.0666 906.2636       180.4296 476.9953       394.2788 168.4350 18.57323 106.5079 42.29245 61.92712       46.19109 
1 1 1 9   16 42 o 207.4576 10.18421 1297.537       123.5316 1271.555       128.9862 1585.395       429.3317 205.0381 10.76421 198.3944 38.28580 6.643631       39.77023 
1 1 1 9   16 43 o 85.19813 21.75220 248.5708       109.0499 261.6626       112.8388 63.38579       424.3864 87.29488 22.04026 81.72054 37.75898 5.574348       43.72086 
1 1 1 9   16 44 o 175.6824 11.81776 945.3657       121.0542 934.8796       126.1350 1067.718       430.8589 174.3167 12.41939 145.0535 45.50667 29.26321       47.17094 
1 1 1 9   16 45 o 79.15831 23.77675 222.3047       119.2257 218.8146       124.6163 260.0470       409.7994 78.35996 24.45726 87.59950 39.11917 -9.239540      46.13531 
1 1 1 9   16 46 o 90.59534 22.94402 290.6380       122.0160 285.0666       128.3007 343.3643       394.6916 89.02380 24.02217 90.70067 39.52299 -1.676872      46.25075 
1 1 1 9   17 0  o 246.5065 8.085722 1785.277       116.7373 0.000000       0.000000 1785.277       116.7373 ?        ?        246.5065 8.085722 0.000000       8.085722 
1 1 1 9   17 1  o 308.9070 7.408144 2800.151       134.2108 3427.151       363.5920 2701.244       144.4090 340.6555 18.26582 303.2721 8.126490 37.38342       19.99200 
1 1 1 9   17 2  o 399.2776 8.992345 4679.768       210.5710 0.000000       0.000000 4679.768       210.5710 ?        ?        399.2776 8.992345 0.000000       8.992345 
1 1 1 9   17 3  o 924.7460 14.17875 25142.32       768.9729 24145.07       1183.939 25869.99       1011.330 904.4706 22.31949 937.1927 18.39981 -32.72205      28.92599 
1 1 1 9   17 4  o 779.7537 12.27348 17865.05       561.2748 17490.83       896.3545 18106.41       719.8761 770.0466 19.86438 784.5134 15.64613 -14.46686      25.28626 
1 1 1 9   17 5  o 371.1916 7.660803 4043.552       166.7719 4037.583       343.9979 4045.386       190.6788 370.0942 15.88566 371.2304 8.758071 -1.136230      18.13996 
1 1 1 9   17 6  o 718.9847 11.44134 15186.53       482.4440 14461.62       757.0228 15682.29       626.0441 700.3476 18.44689 730.2018 14.61879 -29.85419      23.53714 
1 1 1 9   17 7  o 398.3219 8.037104 4656.964       187.7518 4212.118       347.5611 4840.267       223.1056 377.9895 15.71263 406.0159 9.369511 -28.02646      18.29411 
1 1 1 9   17 8  o 373.1808 7.020966 4086.907       153.6621 4365.946       339.9562 4015.258       172.2640 384.8799 15.09001 369.8552 7.941677 15.02472       17.05223 
1 1 1 9   17 9  o 663.2786 17.73825 12978.03       689.3935 12978.03       689.3935 0.000000       0.000000 663.2786 17.73825 ?        ?        0.000000       17.73825 
1 1 1 9   17 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 13 o 308.8057 11.02344 2807.626       199.3223 2801.688       247.3551 2818.622       336.5976 308.1390 13.72190 308.2537 18.70688 -0.1146851     23.19996 
1 1 1 9   17 14 o 308.1394 10.57721 2795.327       190.8641 2682.557       233.9531 3019.754       330.0419 301.5084 13.26303 319.1796 17.70059 -17.67120      22.11829 
1 1 1 9   17 15 o 207.1035 12.98310 1268.457       156.9010 1089.948       185.4027 1718.890       294.5103 191.3545 16.68740 239.7443 21.16309 -48.38983      26.95081 
1 1 1 9   17 16 o 239.7520 11.96267 1696.998       167.6744 1516.173       195.9051 2192.301       324.2289 226.1568 14.85237 270.9542 20.55693 -44.79736      25.36100 
1 1 1 9   17 17 o 212.4279 13.16071 1335.848       163.1561 1226.345       189.2691 1652.591       321.9003 203.0250 16.02556 234.0810 23.77753 -31.05600      28.67385 
1 1 1 9   17 18 o 233.2239 7.115294 1599.387       97.20940 1575.637       102.5632 1809.224       304.8595 231.4427 7.566268 245.5090 21.38619 -14.06622      22.68518 
1 1 1 9   17 19 o 220.9714 7.610349 1436.715       98.47873 1433.690       103.3284 1466.698       325.2650 220.6993 7.996255 219.4761 25.75939 1.223206       26.97195 
1 1 1 9   17 20 o 374.2864 8.248507 4119.597       181.0631 4081.988       208.7430 4233.868       363.8604 372.2712 9.568905 377.5080 16.47423 -5.236816      19.05162 
1 1 1 9   17 21 o 252.5158 8.463004 1877.866       125.1554 1884.886       135.3022 1836.256       329.3976 252.8982 9.137410 246.3355 23.06879 6.562698       24.81252 
1 1 1 9   17 22 o 396.0465 8.724985 4615.779       202.6569 4482.846       228.0354 5115.263       442.0257 389.9647 9.978916 414.0900 18.24609 -24.12524      20.79660 
1 1 1 9   17 23 o 514.8910 9.508539 7807.518       287.1307 7890.636       349.4841 7634.888       503.6613 517.1062 11.52384 506.5291 16.97844 10.57706       20.51990 
1 1 1 9   17 24 o 213.1175 8.649323 1338.760       107.8819 1312.550       114.1761 1557.007       329.4724 210.9388 9.251790 225.7413 25.32213 -14.80247      26.95934 
1 1 1 9   17 25 o 223.9568 8.920412 1478.580       116.9311 1419.425       123.5110 1989.824       363.0965 219.3279 9.625428 255.8532 24.49691 -36.52533      26.32010 
1 1 1 9   17 26 o 475.0576 9.414993 6645.327       262.3112 6658.317       304.5678 6608.014       516.1883 475.1797 10.92888 470.4875 18.74475 4.692169       21.69806 
1 1 1 9   17 27 o 107.3527 12.39859 344.9084       76.62852 351.9855       78.18681 172.6507       385.7389 108.4407 12.52378 101.4052 41.27969 7.035492       43.13766 
1 1 1 9   17 28 o 260.4169 8.410519 1998.245       128.2840 2052.744       135.5898 1533.013       396.1576 263.8925 8.773112 221.0221 31.44833 42.87035       32.64912 
1 1 1 9   17 29 o 85.19281 14.75050 221.4846       71.03101 224.9022       72.18471 117.1243       398.8896 85.83698 14.87793 98.17786 41.15325 -12.34088      43.76006 
1 1 1 9   17 30 o 111.7523 12.73130 374.7823       81.95477 375.8666       83.69682 349.5473       403.7904 111.8618 12.99967 113.8127 43.46727 -1.950890      45.36954 
1 1 1 9   17 31 o 78.94508 17.01901 193.4781       76.47430 203.7498       77.85587 -88.26034      407.7495 81.07165 16.92220 86.70358 38.84803 -5.631927      42.37370 
1 1 1 9   17 32 o 124.6841 12.47426 465.8658       89.99374 488.9003       91.95213 -57.68829      438.3822 127.7680 12.42812 90.81885 40.51510 36.94913       42.37843 
1 1 1 9   17 33 o 332.0335 8.409716 3254.776       163.6304 3238.481       173.3950 3387.355       494.5883 331.0561 8.938857 329.6399 25.78824 1.416168       27.29353 
1 1 1 9   17 34 o 33.67224 15.88110 -87.56346      81.62141 -55.73052      83.08184 -969.2252      437.2389 36.86819 16.91529 61.34541 30.55531 -24.47722      34.92498 
1 1 1 9   17 35 o 94.63357 16.93182 279.0031       90.52190 279.4235       93.23548 272.0944       377.9559 94.54670 17.45747 101.5905 41.04103 -7.043831      44.59966 
1 1 1 9   17 36 o 97.07034 16.98724 295.0993       93.18663 273.6581       95.84998 664.9136       398.0690 92.98093 18.22898 130.9859 43.94762 -38.00493      47.57824 
1 1 1 9   17 37 o 151.9076 11.49465 695.0052       101.6462 662.5310       105.1072 1163.884       399.3863 148.0449 12.21423 175.6279 39.70975 -27.58299      41.54578 
1 1 1 9   17 38 o 45.60748 19.42506 10.83024       91.22878 29.01810       93.54676 -342.5895      412.3665 48.41467 20.08267 71.20425 34.16866 -22.78957      39.63346 
1 1 1 9   17 39 o 75.66411 20.74692 188.3883       94.80357 196.6164       97.27991 32.91711       422.8608 77.21226 20.95270 85.00349 38.67926 -7.791237      43.98978 
1 1 1 9   17 40 o 115.6764 16.07156 421.4114       106.0909 408.9129       111.3462 544.5178       349.4505 113.3225 17.30116 113.4404 40.97207 -0.1178894     44.47517 
1 1 1 9   17 41 o 181.7095 10.96103 999.4237       116.2667 1022.021       121.7237 764.2136       392.7132 183.5464 11.36354 128.7450 43.65133 54.80139       45.10619 
1 1 1 9   17 42 o 55.77652 24.90696 -10.87303      166.1054 55.75261       181.6361 -351.2498      410.5457 63.17035 27.16770 67.39765 32.76303 -4.227306      42.56172 
1 1 1 9   17 43 o 141.0329 14.65248 623.7761       119.4299 630.9719       124.3414 538.0497       429.1711 141.4944 15.22314 105.2581 43.27441 36.23624       45.87394 
1 1 1 9   17 44 o 71.29655 23.74827 174.4223       116.2691 150.9917       121.0568 453.1838       417.5553 67.70100 24.15600 98.90571 41.81767 -31.20470      48.29317 
1 1 1 9   17 45 o 35.72677 17.33855 -161.6430      113.7163 -177.7243      119.0655 5.362310       383.6990 36.03486 17.54577 74.79941 35.01017 -38.76455      39.16077 
1 1 1 9   17 46 o 171.4324 13.79357 919.6136       137.5123 879.9927       146.5634 1211.002       397.4652 166.6012 15.16628 159.6532 41.92158 6.947983       44.58066 
1 1 1 9   18 0  o 199.8276 8.300826 1174.091       97.06902 0.000000       0.000000 1174.091       97.06902 ?        ?        199.8276 8.300826 0.000000       8.300826 
1 1 1 9   18 1  o 307.3610 7.382047 2772.399       133.0688 3262.168       347.7913 2688.405       144.0279 332.3006 17.91204 302.5356 8.124804 29.76495       19.66860 
1 1 1 9   18 2  o 398.7373 7.913231 4666.456       185.0509 4320.985       357.9701 4792.445       216.1763 382.8318 15.97880 404.0240 9.123268 -21.19217      18.39989 
1 1 1 9   18 3  o 219.6037 7.192711 1416.758       92.51168 955.1836       274.3794 1475.961       98.26565 177.5378 27.21847 224.1333 7.486084 -46.59552      28.22918 
1 1 1 9   18 4  o 608.8660 10.01829 10887.43       357.7386 10652.89       596.0966 11019.45       447.2301 601.1901 16.92336 612.2923 12.45437 -11.10223      21.01217 
1 1 1 9   18 5  o 271.9129 6.915538 2171.139       110.1929 2456.478       290.3758 2123.135       119.1020 288.2471 17.25591 268.8510 7.561156 19.39603       18.83978 
1 1 1 9   18 6  o 68.12968 15.05864 141.9714       58.56615 72.13903       274.6859 145.2971       59.94450 84.20748 34.62031 68.92009 15.23595 15.28739       37.82459 
1 1 1 9   18 7  o 364.6104 7.655028 3902.305       163.6916 4052.031       338.0724 3856.454       187.0841 370.6223 15.58829 362.4025 8.802281 8.219788       17.90181 
1 1 1 9   18 8  o 299.0335 6.766263 2624.381       118.6641 2601.647       287.9945 2629.029       130.2330 296.6486 16.62001 299.2727 7.419993 -2.624084      18.20113 
1 1 1 9   18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   18 15 o 300.9756 11.23344 2670.449       197.9391 2453.531       238.4520 3151.167       354.9753 288.0181 14.16002 325.5309 18.67158 -37.51273      23.43361 
1 1 1 9   18 16 o 531.9500 11.16665 8332.784       348.3728 8061.611       447.1828 8751.446       555.6403 522.2419 14.61471 543.2314 17.46317 -20.98950      22.77174 
1 1 1 9   18 17 o 349.6020 10.18448 3600.504       208.5932 3420.074       250.9507 4003.826       375.1977 340.3061 12.59558 367.0801 17.47826 -26.77399      21.54387 
1 1 1 9   18 18 o 60.02793 25.05959 25.16712       147.0041 -60.60839      166.9618 320.9875       310.0628 56.14003 25.02668 108.0658 38.64805 -51.92582      46.04353 
1 1 1 9   18 19 o 99.70731 23.58281 309.8939       135.7267 235.3898       154.1764 566.5015       286.1294 88.11691 27.15484 133.1366 35.85162 -45.01965      44.97470 
1 1 1 9   18 20 o 435.7366 7.896615 5583.141       201.7974 5555.869       225.4833 5692.874       452.3017 434.5167 8.848250 437.2240 17.67543 -2.707275      19.76644 
1 1 1 9   18 21 o 98.72166 11.18622 291.0616       63.62583 272.9539       65.07120 685.1377       303.5627 95.44653 11.88109 145.8363 35.76873 -50.38974      37.69035 
1 1 1 9   18 22 o 240.6165 8.932184 1706.507       125.8285 1777.890       136.4883 1302.323       324.7777 245.5229 9.496701 205.3989 27.66378 40.12396       29.24845 
1 1 1 9   18 23 o 271.8530 8.813156 2177.424       140.3272 2145.333       150.8426 2383.821       382.5420 269.7289 9.550628 280.5630 23.46335 -10.83405      25.33265 
1 1 1 9   18 24 o 133.6248 24.50455 553.8974       184.9621 533.1200       211.5879 621.2194       380.8671 130.0117 28.53434 138.7313 42.66708 -8.719604      51.32922 
1 1 1 9   18 25 o 312.9236 9.180025 2885.209       168.2918 2759.624       180.3891 3728.436       467.4278 305.8822 10.06927 351.6405 22.78822 -45.75836      24.91371 
1 1 1 9   18 26 o 292.3723 9.238466 2519.506       158.2126 2527.772       173.1718 2477.765       389.1330 292.7059 10.10292 286.0284 23.40175 6.677582       25.48943 
1 1 1 9   18 27 o 149.3628 10.22624 660.7911       89.03910 638.5970       91.91821 998.5176       358.5630 146.7425 10.75529 175.9572 35.96181 -29.21465      37.53569 
1 1 1 9   18 28 o 282.7421 9.138132 2357.892       151.3309 2358.668       161.7494 2352.442       428.5884 282.6715 9.771558 276.4802 26.76613 6.191284       28.49402 
1 1 1 9   18 29 o 73.32342 17.07062 166.8763       72.03028 162.6609       73.30064 285.3401       388.5808 72.35559 17.47269 108.2535 42.28979 -35.89792      45.75719 
1 1 1 9   18 30 o 174.6648 9.503883 902.9634       96.98793 915.5510       100.4818 731.3444       371.0218 175.8334 9.782525 146.7186 41.35226 29.11481       42.49362 
1 1 1 9   18 31 o 117.4968 12.45445 414.0696       84.51717 412.2669       86.38706 454.3633       408.4214 117.1695 12.77823 121.0898 44.21297 -3.920265      46.02250 
1 1 1 9   18 32 o 278.7496 8.586014 2294.640       140.1968 2356.295       147.7746 1739.300       443.5003 282.3913 8.933970 231.1183 33.71199 51.27304       34.87570 
1 1 1 9   18 33 o 208.6351 9.343473 1289.506       114.0363 1259.004       117.7833 1746.150       455.7306 206.0491 9.774679 229.3661 34.98445 -23.31696      36.32431 
1 1 1 9   18 34 o 227.3561 8.913934 1531.449       118.6272 1492.783       123.8340 1962.452       413.4425 224.3253 9.433691 246.0516 29.22089 -21.72621      30.70594 
1 1 1 9   18 35 o 41.77520 18.09766 -5.203998      81.76090 2.823811       83.53563 -188.1377      398.7678 43.21837 18.50253 77.68011 36.13617 -34.46174      40.59762 
1 1 1 9   18 36 o 43.27196 18.56584 2.879033       84.44697 15.69503       86.38363 -273.3713      401.0575 45.36704 19.09208 73.55584 34.84435 -28.18880      39.73206 
1 1 1 9   18 37 o 53.74356 20.98236 63.71494       95.60982 64.69367       98.20174 45.90472       418.9103 54.30091 21.24595 87.00894 39.14847 -32.70803      44.54204 
1 1 1 9   18 38 o 64.45670 21.63626 128.8024       96.48229 108.7928       99.07576 496.0638       424.4599 61.17708 21.85039 111.9879 44.06467 -50.81080      49.18470 
1 1 1 9   18 39 o 193.5700 10.68237 1128.515       120.8006 1190.100       126.6630 509.0359       401.7226 198.6831 10.91212 110.6260 43.06119 88.05711       44.42229 
1 1 1 9   18 40 f 47.89746 20.50653 14.49899       102.6185 57.77514       106.6289 -528.5642      377.7250 53.93305 21.79506 60.83201 29.95352 -6.898960      37.04374 
1 1 1 9   18 41 o 160.5597 12.14296 787.7452       113.4959 791.1104       118.7123 751.9575       387.1283 160.5991 12.70731 126.9589 43.33508 33.64025       45.15977 
1 1 1 9   18 42 o 204.6060 11.07912 1271.909       132.4496 1271.521       138.8557 1275.818       441.1547 204.2059 11.64255 164.9322 44.56123 39.27376       46.05706 
1 1 1 9   18 43 o 55.12883 24.45217 3.320619       157.3564 53.36847       169.3201 -313.7589      426.1868 60.89504 26.21030 68.42143 33.28812 -7.526394      42.36837 
1 1 1 9   18 44 o 152.8858 14.37461 733.7993       127.3761 756.6624       134.1877 525.5947       404.9391 154.8484 14.96210 102.7090 42.10966 52.13936       44.68879 
1 1 1 9   18 45 o 49.40488 21.65637 8.312982       120.0463 15.40301       125.0263 -75.40398      429.6198 50.90469 22.21207 74.26357 35.43003 -23.35887      41.81702 
1 1 1 9   18 46 o 105.0334 22.55324 387.9626       134.7761 373.2031       141.6588 528.8745       437.7047 101.7376 24.11233 99.36493 42.44176 2.372627       48.81298 
1 1 1 9   19 0  o 129.7059 10.04510 497.1161       75.81743 0.000000       0.000000 497.1161       75.81743 ?        ?        129.7059 10.04510 0.000000       10.04510 
1 1 1 9   19 1  o 272.7746 7.232392 2185.331       115.5987 2309.933       309.3976 2165.114       124.6240 279.1786 19.01003 271.4716 7.835769 7.707092       20.56163 
1 1 1 9   19 2  f 227.0651 7.160261 1514.724       95.23279 1509.098       274.6126 1515.493       101.5337 225.0415 21.05121 227.0938 7.634353 -2.052277      22.39278 
1 1 1 9   19 3  o 491.1552 8.768117 7083.430       252.5664 6768.545       440.5923 7237.547       308.2389 479.1492 15.70010 496.3163 10.58957 -17.16714      18.93758 
1 1 1 9   19 4  o 350.6982 7.495260 3610.178       154.1597 3403.752       333.5157 3666.265       173.8456 339.4221 16.80655 353.3666 8.388565 -13.94452      18.78372 
1 1 1 9   19 5  o 292.9554 7.152367 2519.060       122.8858 2847.942       306.0199 2455.832       134.1794 310.3654 16.87574 289.1161 7.920865 21.24930       18.64217 
1 1 1 9   19 6  o 340.3282 7.546405 3400.140       150.6221 3084.469       315.7857 3493.107       171.3724 323.0223 16.72596 344.8999 8.472223 -21.87762      18.74930 
1 1 1 9   19 7  o 233.2415 18.40058 1615.984       249.6653 1615.984       249.6653 0.000000       0.000000 233.2415 18.40058 ?        ?        0.000000       18.40058 
1 1 1 9   19 8  o 701.9927 9.766220 14480.09       402.0773 16190.13       863.2178 14006.28       454.3782 739.6506 19.91768 690.1864 11.22537 49.46417       22.86313 
1 1 1 9   19 9  o 233.6775 18.13935 1622.593       246.6475 1622.593       246.6475 0.000000       0.000000 233.6775 18.13935 ?        ?        0.000000       18.13935 
1 1 1 9   19 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   19 11 o 574.3492 11.50545 9706.369       387.5520 8897.352       478.0969 11256.66       661.8250 549.0698 14.86064 616.6401 18.32073 -67.57025      23.58999 
1 1 1 9   19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   19 13 o 544.2788 11.11678 8719.187       354.8549 8612.550       472.6362 8856.960       537.2273 539.9321 14.94015 547.0218 16.76547 -7.089661      22.45638 
1 1 1 9   19 14 o 74.26858 27.49706 131.3256       158.8709 11.62418       189.4096 415.3852       291.7811 66.22318 28.08934 117.1399 37.53467 -50.91676      46.88137 
1 1 1 9   19 15 o 305.3510 10.92968 2749.012       195.4143 2466.279       227.0119 3557.891       383.9745 288.7918 13.44021 345.6465 19.01499 -56.85464      23.28538 
1 1 1 9   19 16 o 289.4183 11.27520 2471.549       191.0157 2253.559       221.6188 3101.411       376.7127 275.9182 13.73864 322.2238 20.03345 -46.30551      24.29175 
1 1 1 9   19 17 o 297.7910 11.23372 2617.076       195.8422 2377.611       228.7322 3274.792       379.0749 283.3514 13.80577 331.1151 19.60851 -47.76370      23.98109 
1 1 1 9   19 18 o 74.46162 26.71112 144.3055       148.2281 103.4836       171.8574 262.8927       292.9142 72.35822 28.16500 101.0817 37.35244 -28.72348      46.78111 
1 1 1 9   19 19 o 65.65308 25.91403 76.81054       147.2091 -7.634651      164.1576 423.5791       332.6546 59.87981 25.79083 118.6019 40.17538 -58.72210      47.74126 
1 1 1 9   19 20 o 274.2146 11.53168 2222.515       185.0390 2220.223       221.1726 2227.860       337.8026 273.6014 13.82843 271.9692 21.34940 1.632172       25.43664 
1 1 1 9   19 21 o 115.5181 24.29041 416.4716       159.3353 390.2458       180.8898 507.2635       336.5681 111.2035 27.81049 126.7316 40.28045 -15.52811      48.94832 
1 1 1 9   19 22 f 35.26792 15.47247 -14.81799      61.39238 -18.90349      62.40886 107.5447       341.5451 35.04519 15.47862 92.74312 38.41319 -57.69793      41.41449 
1 1 1 9   19 23 o 212.4023 16.02520 1346.299       198.1518 1519.877       231.7957 875.1378       381.8932 225.3429 17.68075 163.6067 40.11408 61.73624       43.83775 
1 1 1 9   19 24 o 304.8644 9.264153 2738.909       165.4469 2595.413       176.6574 3763.088       471.9542 296.6122 10.17033 353.2139 22.90657 -56.60175      25.06286 
1 1 1 9   19 25 o 459.8348 9.872906 6229.722       266.2548 6271.454       306.7422 6102.198       536.2097 461.0257 11.34483 451.2623 20.31280 9.763367       23.26618 
1 1 1 9   19 26 o 77.98020 17.37433 188.0341       77.42434 188.2437       79.00490 182.9509       389.0159 77.98763 17.68238 102.1767 41.50623 -24.18907      45.11578 
1 1 1 9   19 27 o 241.3450 9.476829 1719.317       133.8773 1677.031       141.3351 2088.575       417.6536 238.2407 10.13859 259.9623 27.82637 -21.72162      29.61584 
1 1 1 9   19 28 o 202.4323 9.502175 1211.050       112.4967 1204.626       116.7328 1294.772       421.4141 201.8280 9.892047 199.0504 37.47369 2.777603       38.75732 
1 1 1 9   19 29 o 140.0446 11.06598 583.5491       90.14987 565.9670       92.37009 936.1605       413.6603 137.8191 11.53371 165.5290 42.42048 -27.70990      43.96048 
1 1 1 9   19 30 o 186.0885 9.525399 1025.046       103.6110 1002.036       107.2241 1349.321       402.5222 183.8984 9.979161 203.1335 35.05398 -19.23509      36.44675 
1 1 1 9   19 31 o 354.7452 8.134413 3710.067       169.2362 3797.005       184.2524 3240.972       427.9944 358.7249 8.757925 325.0952 22.58846 33.62973       24.22684 
1 1 1 9   19 32 o 164.1135 10.86816 801.6599       104.0153 799.2110       107.3238 839.5527       422.1712 163.7771 11.24176 153.1440 44.41972 10.63312       45.82018 
1 1 1 9   19 33 o 59.60664 20.27037 102.1448       84.69086 108.2547       86.96550 -10.09127      372.7323 61.00512 20.54194 85.04420 37.68179 -24.03908      42.91723 
1 1 1 9   19 34 o 55.89114 19.91332 85.26813       82.23811 76.52573       83.95354 292.6603       408.9025 54.55223 20.02493 104.0770 42.45081 -49.52478      46.93687 
1 1 1 9   19 35 f 247.2251 8.823050 1815.356       127.7218 1833.972       133.7514 1622.743       430.2332 248.3542 9.198724 214.6418 35.41119 33.71240       36.58645 
1 1 1 9   19 36 o 130.1097 12.77183 514.4532       96.20257 507.5765       99.33135 618.4825       386.3441 129.0345 13.31701 124.4574 43.25800 4.577095       45.26144 
1 1 1 9   19 37 o 38.06099 17.48089 -54.79544      89.04935 -25.40165      90.98824 -722.5282      433.6694 41.41184 18.46713 63.26853 31.32653 -21.85669      36.36463 
1 1 1 9   19 38 o 90.57538 19.25088 266.7477       99.10658 237.9919       102.1563 726.9045       408.6532 84.92059 20.70215 128.8865 44.50535 -43.96594      49.08467 
1 1 1 9   19 39 o 112.9716 16.00847 402.2647       103.0972 435.2549       106.6626 -66.59471      402.1060 117.6533 15.86186 77.76941 36.21456 39.88391       39.53597 
1 1 1 9   19 40 o 35.17701 16.83288 -118.7973      98.53574 -84.55414      101.5303 -673.7465      408.7288 38.29889 17.95274 60.11526 29.87631 -21.81637      34.85534 
1 1 1 9   19 41 o 53.86433 21.87851 58.60670       108.0745 42.14762       112.7183 246.1061       380.4447 52.54367 21.93997 89.04408 38.80210 -36.50040      44.57539 
1 1 1 9   19 42 o 98.31086 20.39420 325.2054       113.7283 344.4655       118.6049 105.3361       400.7331 101.0611 20.70765 81.62436 37.33713 19.43669       42.69506 
1 1 1 9   19 43 o 55.44152 22.64925 65.25333       116.6257 84.79634       122.2130 -133.9389      390.1735 58.55912 23.44853 71.01519 33.84798 -12.45607      41.17669 
1 1 1 9   19 44 o 102.8292 20.82254 361.0511       121.2628 333.9823       127.4557 619.4680       393.8084 97.51258 22.71136 108.6449 42.53509 -11.13235      48.21866 
1 1 1 9   19 45 o 48.48452 21.81950 -20.32464      130.2081 8.135191       137.0745 -283.2321      416.6219 52.03621 22.96330 67.18088 32.73560 -15.14466      39.98666 
1 1 1 9   20 0  o 499.4475 8.896347 7326.300       260.5866 7181.299       463.8759 7393.157       314.9842 493.3476 16.05377 501.5439 10.70852 -8.196350      19.29756 
1 1 1 9   20 1  o 268.8644 7.144408 2123.424       112.5551 1910.641       279.9532 2164.450       122.9280 253.6547 18.95588 271.4115 7.730627 -17.75682      20.47164 
1 1 1 9   20 2  o 198.4149 7.262003 1157.210       84.36221 1177.545       257.9153 1154.774       89.27292 198.1262 22.60020 198.1764 7.695619 -0.5021667E-01 23.87450 
1 1 1 9   20 3  o 309.7112 7.222754 2815.800       131.1929 2983.506       313.0288 2780.065       144.4957 317.6018 16.86594 307.5974 8.016633 10.00449       18.67422 
1 1 1 9   20 4  o 682.5940 10.99397 13697.96       440.1163 13882.21       747.4444 13600.16       544.5244 685.2913 18.61468 679.6813 13.66034 5.610046       23.08920 
1 1 1 9   20 5  o 299.2970 8.555007 2633.126       150.0125 2333.271       287.9105 2744.867       175.7547 280.5949 17.58393 305.4713 9.823158 -24.87634      20.14173 
1 1 1 9   20 6  o 101.9263 10.90830 308.9287       64.19411 322.6561       249.2161 307.9532       66.43594 105.5026 34.75524 101.7075 11.32994 3.795082       36.55536 
1 1 1 9   20 7  f 571.7975 9.574044 9608.264       321.0615 9109.580       515.3619 9924.565       410.4409 555.4988 15.83515 580.7665 12.05032 -25.26770      19.89880 
1 1 1 9   20 8  o 292.9338 7.530321 2521.495       129.2627 1892.001       255.0980 2738.963       149.9373 252.4860 17.33252 305.2391 8.383595 -52.75311      19.25359 
1 1 1 9   20 9  o 381.6226 10.40667 4285.959       232.6971 4213.255       302.1745 4391.896       364.7559 377.8796 13.65742 385.3435 16.17599 -7.463837      21.17044 
1 1 1 9   20 10 o 296.4611 11.42261 2590.476       198.2303 2393.406       247.3203 2944.529       331.5010 284.4281 14.87817 314.9487 18.02235 -30.52057      23.37017 
1 1 1 9   20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   20 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   20 14 o 222.4433 13.49445 1465.803       175.2174 1489.647       207.5228 1406.600       327.0044 223.8138 15.91367 214.7971 26.52086 9.016647       30.92896 
1 1 1 9   20 15 o 304.6951 11.22137 2739.227       200.1794 2602.348       234.9587 3101.658       382.3285 296.5544 13.54519 322.0628 20.34562 -25.50842      24.44210 
1 1 1 9   20 16 o 421.3579 10.43624 5229.316       257.8966 5181.190       328.0818 5307.146       417.2192 418.6111 13.38071 422.6565 16.86550 -4.045441      21.52878 
1 1 1 9   20 17 o 51.88788 23.30059 -64.74239      147.5871 -142.7472      171.5299 157.6359       289.6178 51.28445 23.80350 91.39449 36.26131 -40.11003      43.37614 
1 1 1 9   20 18 o 213.9904 13.22490 1358.565       165.1619 1352.126       188.1488 1380.189       344.8200 213.0951 15.15376 211.3596 28.54678 1.735550       32.31958 
1 1 1 9   20 19 o 54.84016 24.23711 -41.77863      153.2534 -19.26018      177.7939 -106.8794      302.3018 61.26632 26.61358 74.56653 33.42680 -13.30021      42.72743 
1 1 1 9   20 20 o 90.18684 27.63025 248.8298       159.9119 269.5754       180.6041 173.5392       344.0613 94.04263 29.45675 97.71868 39.26981 -3.676048      49.08990 
1 1 1 9   20 21 o 153.8627 19.57152 717.6030       172.6159 640.3209       197.4798 967.8428       355.3543 143.9528 24.25228 173.5424 36.09215 -29.58960      43.48352 
1 1 1 9   20 22 o 48.12268 22.96009 -230.6606      180.4825 -347.5359      213.6698 60.38286       337.1791 49.09627 23.81285 89.10500 37.62110 -40.00872      44.52414 
1 1 1 9   20 23 o 209.6352 17.15907 1314.911       209.1197 1236.980       248.6350 1503.321       386.5964 202.1945 21.28626 219.7036 30.85231 -17.50919      37.48293 
1 1 1 9   20 24 o 132.6619 13.43019 525.7529       103.0532 477.5016       106.6268 1209.616       401.4176 126.1262 14.68947 194.2594 36.57582 -68.13317      39.41537 
1 1 1 9   20 25 o 62.53666 20.56410 112.6723       87.26257 137.2479       89.70024 -321.1397      376.8709 67.54996 20.69362 74.16572 34.70828 -6.615761      40.40904 
1 1 1 9   20 26 o 314.0388 9.383827 2908.766       172.6340 3016.307       190.4036 2411.947       409.2483 319.6358 10.17003 280.8719 25.10892 38.76398       27.09036 
1 1 1 9   20 27 f 220.0802 10.17553 1432.331       130.9820 1457.625       138.0388 1203.739       414.9693 221.9334 10.63639 191.4748 38.29217 30.45857       39.74196 
1 1 1 9   20 28 o 266.6906 9.609123 2101.592       150.0485 2160.950       160.9365 1706.904       414.9944 270.3128 10.16980 231.8885 31.31454 38.42435       32.92454 
1 1 1 9   20 29 o 409.1779 9.449143 4942.358       226.7540 4977.376       254.9308 4809.697       496.1926 410.1380 10.60734 397.7595 21.34880 12.37851       23.83877 
1 1 1 9   20 30 o 243.3312 9.095898 1750.153       129.5772 1783.742       136.1550 1427.506       421.9893 245.5765 9.471332 208.0769 35.87547 37.49962       37.10466 
1 1 1 9   20 31 o 192.5739 10.41660 1100.995       117.2072 1156.232       121.9778 435.9853       423.2346 197.3212 10.57906 118.9043 44.70871 78.41686       45.94328 
1 1 1 9   20 32 o 88.49341 19.75184 247.3251       99.91013 247.2970       102.7599 247.8116       427.1999 88.37511 20.25998 104.7401 43.13002 -16.36497      47.65150 
1 1 1 9   20 33 f 155.4400 11.36988 723.1116       102.9330 744.9400       106.5059 414.0438       400.7646 157.7173 11.59553 113.0223 43.26976 44.69502       44.79653 
1 1 1 9   20 34 o 171.6618 10.92218 882.1233       109.3894 866.8502       113.1620 1099.797       427.2084 170.0034 11.41610 169.7956 42.89353 0.2077637      44.38674 
1 1 1 9   20 35 f 168.1425 10.76510 847.8967       105.5988 874.7415       109.6937 508.3458       390.1246 170.7051 11.01563 115.7423 43.04445 54.96278       44.43162 
1 1 1 9   20 36 o 132.8578 13.79444 540.3442       105.9208 537.2831       109.2669 588.0416       431.3124 132.2673 14.31373 119.7821 45.11296 12.48521       47.32929 
1 1 1 9   20 37 o 32.55950 15.86975 -164.5944      98.09907 -152.8382      100.8365 -372.3429      423.8889 33.89898 16.42213 70.72403 34.11689 -36.82505      37.86356 
1 1 1 9   20 38 o 225.1534 9.862251 1520.809       129.9123 1469.038       135.9611 2064.111       440.4460 220.9367 10.52317 238.8281 32.27032 -17.89137      33.94276 
1 1 1 9   20 39 o 149.0467 13.08377 682.1799       113.2090 702.9528       118.7569 475.3055       374.7691 151.0723 13.54734 106.1710 41.51535 44.90131       43.66984 
1 1 1 9   20 40 o 40.55006 18.68702 -59.34390      102.9669 -45.68221      106.4778 -256.3190      404.3081 42.48858 19.36292 70.01527 33.65907 -27.52669      38.83111 
1 1 1 9   20 41 o 95.45318 21.06234 308.5800       114.7434 290.0681       119.0921 548.2659       428.5268 91.76053 22.34184 106.5732 43.46185 -14.81270      48.86809 
1 1 1 9   20 42 o 85.33848 22.06883 252.4691       111.2680 216.5199       115.0713 769.4884       436.3911 78.60773 23.29867 119.5468 45.29870 -40.93909      50.93918 
1 1 1 9   20 43 o 105.0247 20.30493 372.7100       120.5424 360.9408       125.6424 508.9185       427.4292 102.4459 21.59360 100.9369 42.47280 1.508919       47.64685 
1 1 1 9   20 44 o 67.07341 24.58216 148.6091       126.4345 115.3577       132.9066 465.2888       410.1589 63.00557 24.69751 97.40481 41.32595 -34.39923      48.14355 
1 1 1 9   20 45 o 65.81813 24.77051 140.4577       129.9819 124.9571       136.4742 291.8448       426.5012 64.19883 25.06727 87.26155 39.36059 -23.06272      46.66502 
1 1 1 9   21 0  o 334.9344 7.380238 3293.765       144.9708 4024.991       340.8969 3132.328       160.1764 369.0816 15.78535 326.4568 8.372995 42.62473       17.86853 
1 1 1 9   21 1  o 415.7875 8.039649 5077.179       196.0465 4796.469       355.7946 5199.564       234.9274 403.0843 15.07714 420.6404 9.522963 -17.55615      17.83275 
1 1 1 9   21 2  o 410.0675 7.952081 4938.369       191.2435 5072.725       373.3676 4890.582       222.6716 414.4754 15.38658 407.9655 9.306598 6.509918       17.98220 
1 1 1 9   21 3  o 113.4520 9.751121 381.0783       64.25217 129.1300       228.8426 402.6396       66.94504 82.99222 32.44423 116.6260 9.880407 -33.63377      33.91535 
1 1 1 9   21 4  o 342.1982 7.414728 3438.500       148.8070 3324.901       315.5842 3470.979       168.7440 335.2711 16.09679 343.7462 8.370279 -8.475006      18.14299 
1 1 1 9   21 5  o 264.4366 7.016633 2054.548       108.7219 1802.811       255.1473 2110.397       120.1786 246.3281 17.78112 267.9596 7.655128 -21.63153      19.35896 
1 1 1 9   21 6  o 255.7043 7.801324 1922.218       116.8554 0.000000       0.000000 1922.218       116.8554 ?        ?        255.7043 7.801324 0.000000       7.801324 
1 1 1 9   21 7  o 174.0871 7.872270 892.0396       80.16632 815.4268       215.5413 904.3389       86.36185 164.0232 23.04093 175.2380 8.427877 -11.21483      24.53393 
1 1 1 9   21 8  o 570.1561 9.589104 9558.120       320.6434 9090.674       500.1379 9884.330       417.8042 554.6619 15.38973 579.3043 12.29747 -24.64233      19.69953 
1 1 1 9   21 9  o 126.4755 16.80136 481.1972       121.5441 890.0016       199.3611 239.3551       153.3376 172.0164 20.14251 89.01539 27.01398 83.00105       33.69682 
1 1 1 9   21 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   21 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   21 12 o 351.6281 10.58611 3643.589       218.0600 3459.542       275.2462 3953.810       357.3496 342.0423 13.74918 364.9823 16.73897 -22.94000      21.66179 
1 1 1 9   21 13 o 512.9493 10.85027 7750.087       326.4115 7244.446       407.1877 8659.227       545.9953 494.9973 14.04043 540.0996 17.25927 -45.10236      22.24896 
1 1 1 9   21 14 o 368.1659 10.69323 3996.209       230.6442 3989.530       291.5970 4007.370       376.9583 367.2587 13.56147 367.0146 17.56393 0.2441711      22.19021 
1 1 1 9   21 15 o 229.1256 13.15703 1555.743       176.0566 1515.481       208.3638 1656.227       329.1711 225.5976 15.84928 233.5583 24.39030 -7.960709      29.08757 
1 1 1 9   21 16 o 323.0492 11.01384 3080.432       208.3639 3058.038       251.1779 3129.846       373.1196 321.3770 13.35561 323.3043 19.77280 -1.927216      23.86076 
1 1 1 9   21 17 o 89.76994 27.58018 245.8717       159.1920 252.8741       180.9710 221.9182       334.7097 91.83521 29.57322 100.7333 39.27867 -8.898079      49.16695 
1 1 1 9   21 18 o 348.5534 10.87522 3586.174       222.0375 3558.771       263.9928 3652.427       410.4810 346.7270 13.00542 348.9964 20.14050 -2.269379      23.97458 
1 1 1 9   21 19 o 81.59338 27.80137 189.4538       159.3218 198.2183       181.7757 160.4065       330.9226 84.63545 29.65506 95.45586 38.45939 -10.82040      48.56488 
1 1 1 9   21 20 o 259.8727 12.34418 1999.247       187.5988 2026.752       216.9728 1917.794       373.3843 261.2584 14.21423 250.5731 25.77523 10.68523       29.43479 
1 1 1 9   21 21 o 187.1912 16.80892 1049.325       182.5710 820.7305       210.9581 1731.398       364.4004 163.9116 22.54133 237.6984 26.59514 -73.78676      34.86277 
1 1 1 9   21 22 f 201.3422 17.63092 1215.010       206.0916 1200.007       243.3371 1253.079       387.6154 199.1478 21.15789 198.7981 34.49620 0.3497620      40.46782 
1 1 1 9   21 23 o 291.5794 13.87077 2521.932       236.5161 2281.155       272.1499 3265.022       478.1031 276.5124 16.86215 327.8415 25.05591 -51.32913      30.20150 
1 1 1 9   21 24 o 296.6978 13.28553 2609.892       230.5901 2574.929       269.1839 2706.275       446.9350 294.0740 15.66432 297.7064 25.85408 -3.632385      30.22920 
1 1 1 9   21 25 o 81.31668 30.08596 166.6691       190.1371 39.55067       212.9963 665.3622       421.8756 71.55497 30.03798 142.0881 45.08965 -70.53313      54.17893 
1 1 1 9   21 26 o 232.9066 10.22894 1603.874       139.3807 1684.481       149.7769 1082.955       380.7519 238.6010 10.73087 182.0688 36.92266 56.53217       38.45041 
1 1 1 9   21 27 o 167.6184 11.59116 835.3210       113.2443 821.6825       118.6850 973.9283       378.3607 166.1008 12.27017 170.8466 38.66633 -4.745880      40.56651 
1 1 1 9   21 28 o 414.7864 9.552096 5079.229       232.3666 5193.329       265.3045 4703.394       481.5032 418.8898 10.80830 393.6485 20.93168 25.24130       23.55747 
1 1 1 9   21 29 o 80.84027 21.72209 205.6174       105.1764 264.3632       109.1162 -564.1021      394.9725 91.67366 20.77706 66.95357 32.45093 24.72009       38.53244 
1 1 1 9   21 30 o 147.1940 14.06711 651.7419       119.9599 713.1343       126.1088 67.84868       388.9150 154.0136 14.11854 92.10992 39.68526 61.90366       42.12188 
1 1 1 9   21 31 o 152.2728 13.99325 698.4101       123.5696 719.6614       129.0607 464.4916       428.1873 154.4679 14.41276 120.1270 45.01129 34.34093       47.26250 
1 1 1 9   21 32 o 65.02473 21.79704 125.2919       97.92465 142.3731       100.7013 -171.6988      419.9014 68.31942 22.06562 81.54417 37.63529 -13.22475      43.62690 
1 1 1 9   21 33 o 43.48848 18.97917 -10.40553      91.31306 36.20255       93.86411 -833.0685      394.3483 49.89955 20.34416 58.41034 29.08116 -8.510788      35.49082 
1 1 1 9   21 34 o 79.61095 20.79927 205.6605       98.16319 195.1424       101.5178 356.9663       385.0356 77.51360 21.55298 104.6097 41.71018 -27.09611      46.94965 
1 1 1 9   21 35 o 66.36883 21.40879 138.5520       94.81438 172.1355       97.20407 -519.3950      430.2455 72.83533 21.36811 68.09747 33.20090 4.737862       39.48286 
1 1 1 9   21 36 o 35.60053 16.81905 -94.31895      92.26345 -67.83202      94.51199 -631.1909      425.5067 38.27207 17.73102 64.35007 31.70623 -26.07800      36.32732 
1 1 1 9   21 37 o 81.44193 21.18510 220.3917       102.1329 218.9984       106.2073 237.5131       372.3110 80.99755 21.85614 91.99276 39.21355 -10.99521      44.89314 
1 1 1 9   21 38 o 226.6672 9.999246 1544.254       132.5978 1568.231       139.9332 1333.380       414.9915 228.1470 10.48620 180.4961 40.23119 47.65094       41.57535 
1 1 1 9   21 39 o 42.25514 19.36295 -53.87069      108.4128 -16.29271      112.7288 -516.6219      395.5868 46.50909 20.65886 62.31133 30.67642 -15.80224      36.98420 
1 1 1 9   21 40 o 159.3742 13.23204 784.2954       122.5644 791.8040       128.2608 705.3522       415.8844 159.7774 13.82346 118.9638 44.40359 40.81364       46.50556 
1 1 1 9   21 41 o 55.21965 22.80450 58.62549       119.8925 61.58228       124.8401 23.52498       430.1307 56.23475 23.25146 79.50116 37.16431 -23.26641      43.83853 
1 1 1 9   21 42 o 60.59109 23.13648 106.3487       114.3858 99.29536       118.3811 205.5820       444.0330 59.99242 23.36898 86.49850 39.46602 -26.50608      45.86584 
1 1 1 9   21 43 o 68.61450 24.44724 159.3541       123.9506 165.9917       130.0329 93.34030       410.0781 69.78887 25.02007 79.39753 36.83580 -9.608658      44.52954 
1 1 1 9   21 44 o 103.6190 22.26602 375.1333       131.2778 275.2319       138.0087 1325.017       425.5551 86.40915 25.49077 164.2666 43.49399 -77.85744      50.41335 
1 1 1 9   22 0  o 779.4194 12.31684 17889.10       563.0162 17603.75       894.2031 18076.53       724.6996 770.3730 19.80820 782.4356 15.79279 -12.06256      25.33332 
1 1 1 9   22 1  o 311.3520 7.203132 2846.769       131.5296 3049.968       297.6332 2797.456       146.6238 320.9979 15.85898 308.4777 8.111609 12.52017       17.81307 
1 1 1 9   22 2  o 440.8110 10.90421 5717.152       281.9013 5498.653       368.3319 6026.116       437.9940 431.4969 14.57588 451.2805 16.57714 -19.78354      22.07392 
1 1 1 9   22 3  o 228.1633 7.052211 1530.186       94.25403 1438.961       251.6377 1545.073       101.6543 219.4366 19.76471 229.2302 7.571810 -9.793564      21.16544 
1 1 1 9   22 4  f 376.7039 7.644337 4168.365       168.8848 4251.653       337.3809 4140.517       195.0863 379.1917 15.20170 375.3328 8.862572 3.858978       17.59650 
1 1 1 9   22 5  o 186.7648 8.028834 1026.720       87.73695 0.000000       0.000000 1026.720       87.73695 ?        ?        186.7648 8.028834 0.000000       8.028834 
1 1 1 9   22 6  o 51.01345 17.04962 72.54757       59.91928 -49.86337      190.4549 85.99486       63.12472 61.44606 27.09377 54.52508 17.45706 6.920986       32.23075 
1 1 1 9   22 7  o 240.4633 7.143785 1699.880       100.6343 1895.756       227.9881 1652.482       112.1511 252.8227 15.44985 236.9996 8.080553 15.82314       17.43540 
1 1 1 9   22 8  o 287.0173 7.158886 2419.859       120.5047 2111.125       218.6742 2554.503       144.4105 267.0696 14.01019 294.6832 8.364356 -27.61362      16.31710 
1 1 1 9   22 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   22 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   22 11 f 259.8918 12.08267 1995.933       183.6605 1862.214       221.6591 2288.793       328.0339 250.4562 15.16150 276.4765 20.37377 -26.02034      25.39609 
1 1 1 9   22 12 o 128.3126 22.05390 505.2663       159.9805 414.4796       193.9005 698.8394       283.1327 114.8051 28.83973 148.3937 33.34766 -33.58854      44.08850 
1 1 1 9   22 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   22 14 o 223.6787 13.89050 1485.240       181.3196 1378.387       215.6250 1743.220       335.0410 214.7258 17.26787 239.6113 24.17194 -24.88542      29.70626 
1 1 1 9   22 15 o 394.7074 10.93036 4597.097       252.7796 4639.326       316.6834 4522.949       419.6345 395.8269 13.66221 389.2824 18.43280 6.544495       22.94393 
1 1 1 9   22 16 o 253.9087 12.36555 1908.581       183.5834 1873.855       220.8975 1986.124       330.0950 251.0047 15.07524 256.3976 22.16961 -5.392838      26.80960 
1 1 1 9   22 17 o 427.1641 10.59663 5379.743       265.4686 5234.336       322.7331 5683.971       466.8216 420.5537 13.10091 436.3910 18.28048 -15.83728      22.49022 
1 1 1 9   22 18 o 266.7683 12.72771 2107.931       198.5548 2156.206       235.8856 1990.579       367.7759 269.2945 14.99483 255.6436 24.84292 13.65091       29.01750 
1 1 1 9   22 19 o 88.24497 29.28119 228.6746       176.7957 168.5161       203.7106 412.2805       355.8839 83.21437 31.07359 118.3169 41.49117 -35.10249      51.83710 
1 1 1 9   22 20 f 138.4427 23.78952 592.1164       186.1961 512.0182       218.8897 801.7955       354.1534 127.0580 29.87963 156.9172 38.72315 -29.85921      48.91088 
1 1 1 9   22 21 o 326.8873 12.76204 3162.371       244.1931 2990.609       287.3184 3609.209       463.4197 317.1808 15.49251 345.8066 22.98062 -28.62579      27.71510 
1 1 1 9   22 22 o 53.85345 25.43314 -226.7728      210.6161 -342.3628      243.0661 121.5143       421.9227 54.25093 26.08504 101.4145 42.40446 -47.16361      49.78522 
1 1 1 9   22 23 o 72.34203 29.70352 64.93877       201.8662 -135.1238      231.9483 689.6517       409.8723 62.34992 28.47700 144.7807 44.21216 -82.43079      52.58949 
1 1 1 9   22 24 o 216.0362 16.40241 1396.951       206.2657 1340.854       234.8387 1586.316       431.4671 210.8367 19.20260 223.3826 34.00586 -12.54594      39.05301 
1 1 1 9   22 25 o 257.9667 14.47347 1982.404       218.0930 1993.878       251.6604 1947.792       437.0819 258.0447 16.71912 249.1726 30.54802 8.872131       34.82399 
1 1 1 9   22 26 o 388.8143 12.09237 4481.690       275.4075 4472.307       333.3108 4501.883       488.9509 387.4071 14.69669 385.0788 21.73864 2.328308       26.24044 
1 1 1 9   22 27 o 85.90980 30.61184 207.9726       194.3461 147.5258       227.7905 369.6870       372.5833 82.51522 32.33667 112.9597 42.05480 -30.44445      53.04966 
1 1 1 9   22 28 o 144.3424 18.20810 635.9683       150.7149 635.9683       150.7149 0.000000       0.000000 144.3424 18.20810 ?        ?        0.000000       18.20810 
1 1 1 9   22 29 o 175.0026 13.24431 916.4703       134.9237 994.8561       143.1755 294.6528       403.2565 182.3062 13.48662 107.8563 42.78946 74.44988       44.86454 
1 1 1 9   22 30 o 168.3653 21.15644 878.5568       204.3023 935.1550       233.1017 691.0212       424.3126 172.6712 23.63828 138.9367 45.32617 33.73451       51.11976 
1 1 1 9   22 31 o 202.8023 11.92630 1229.044       141.2238 1182.474       151.3463 1542.665       392.7544 198.5365 13.07084 215.9417 31.97749 -17.40520      34.54572 
1 1 1 9   22 32 o 56.11847 22.42302 58.27081       111.5124 57.47729       116.0849 67.75264       401.2755 56.77015 22.81150 89.79189 39.46960 -33.02173      45.58743 
1 1 1 9   22 33 o 172.4704 11.36731 893.2173       114.3391 893.8988       118.4678 883.9470       436.9084 172.3847 11.78889 147.4753 45.75775 24.90935       47.25198 
1 1 1 9   22 34 o 122.1683 15.44093 461.7106       108.1656 473.0749       111.7334 292.2405       431.4786 123.5437 15.78075 100.9284 42.58262 22.61534       45.41269 
1 1 1 9   22 35 o 112.7867 16.73047 399.3889       107.3170 441.1211       111.0044 -197.6413      419.8579 118.7896 16.36813 76.47060 36.05186 42.31900       39.59359 
1 1 1 9   22 36 o 102.0806 18.26898 334.1641       105.3564 322.1719       109.3442 489.6374       393.7076 99.67403 19.40350 110.0921 42.69182 -10.41805      46.89443 
1 1 1 9   22 37 o 47.89736 20.44994 15.84087       101.5445 42.20555       104.7289 -398.0289      414.9418 51.67879 21.32513 67.83943 32.96865 -16.16064      39.26440 
1 1 1 9   22 38 o 137.0874 14.25706 583.3695       112.9522 586.8633       117.5910 541.6892       406.1514 137.1842 14.85230 109.9348 43.15001 27.24944       45.63457 
1 1 1 9   22 39 o 47.32776 20.93243 -9.843682      114.5153 0.7639397      119.4354 -130.6933      403.1315 49.26568 21.59811 73.67043 34.90913 -24.40475      41.05029 
1 1 1 9   22 40 o 89.06705 22.45481 274.5219       117.2456 290.0550       122.1614 93.08726       417.5088 91.36674 22.85703 82.08634 37.75610 9.280403       44.13578 
1 1 1 9   22 41 o 48.28712 21.34263 -4.130093      118.8578 -26.99894      124.9844 212.1272       384.3430 47.34030 21.33458 85.15675 37.96601 -37.81644      43.54977 
1 1 1 9   22 42 o 61.14775 23.01778 112.9408       112.2512 130.7482       117.8494 -61.24649      368.5832 64.17002 23.69615 71.42276 33.70461 -7.252739      41.20083 
1 1 1 9   22 43 o 48.18077 21.32556 -2.195574      119.0718 -15.06199      128.1670 78.92794       321.8257 48.58152 21.77269 74.06145 33.71707 -25.47993      40.13591 
1 1 1 9   23 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 1  o 608.7319 10.05302 10902.12       358.8999 12115.15       681.9651 10437.47       422.0785 639.0461 18.21473 595.1789 12.09192 43.86719       21.86300 
1 1 1 9   23 2  f 378.1536 7.627889 4201.398       169.1699 4133.312       325.9480 4226.500       197.9131 373.7755 14.89903 379.1496 8.900476 -5.374084      17.35510 
1 1 1 9   23 3  o 219.7222 7.265976 1419.748       93.50199 1604.489       267.6472 1394.067       99.78941 231.5585 19.90126 217.6734 7.829546 13.88506       21.38602 
1 1 1 9   23 4  o 298.1522 7.218868 2611.394       126.2286 2917.787       302.8398 2546.970       138.8667 313.5509 16.52687 294.2778 8.053759 19.27310       18.38479 
1 1 1 9   23 5  o 640.7125 10.45756 12083.95       392.9562 12010.41       639.4529 12128.56       498.1054 636.4880 17.14603 641.1545 13.24671 -4.666504      21.66707 
1 1 1 9   23 6  f 48.14713 17.50218 56.42711       63.90131 17.92526       219.0768 60.00745       66.80641 71.32237 30.22886 49.42115 17.90559 21.90123       35.13395 
1 1 1 9   23 7  o 140.9889 9.574318 587.5337       78.69718 750.7012       224.9416 564.7767       84.00607 156.2876 25.41343 138.1124 10.44868 18.17522       27.47758 
1 1 1 9   23 8  o 320.1364 8.778231 3016.385       164.6579 0.000000       0.000000 3016.385       164.6579 ?        ?        320.1364 8.778231 0.000000       8.778231 
1 1 1 9   23 9  o 199.2463 10.57372 1172.506       123.1150 918.0302       201.5238 1324.037       155.5087 174.4663 20.05999 211.4621 12.59634 -36.99579      23.68693 
1 1 1 9   23 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 12 o 278.7954 11.17148 2295.557       182.2916 2048.872       218.0135 2868.816       332.3434 262.7774 14.19911 309.9374 18.36598 -47.15997      23.21474 
1 1 1 9   23 13 o 263.6154 11.66144 2054.513       179.8446 1771.789       213.0861 2754.613       335.3157 244.1081 14.95588 303.4319 18.93706 -59.32385      24.13070 
1 1 1 9   23 14 o 365.2280 10.84742 3936.676       232.0917 3998.540       297.4347 3840.366       371.1145 367.3591 13.83013 358.8329 17.68910 8.526215       22.45388 
1 1 1 9   23 15 o 59.68843 25.71073 -7.005121      163.1681 29.43773       189.8907 -109.8440      318.9894 67.43848 28.33919 76.58258 34.33329 -9.144096      44.51836 
1 1 1 9   23 16 o 288.8986 12.23853 2469.624       206.8903 2557.860       245.6769 2254.466       383.6385 293.5429 14.31376 272.4080 24.26707 21.13486       28.17400 
1 1 1 9   23 17 o 95.26868 27.29237 282.7929       160.3037 319.6773       186.3290 177.7261       314.4790 101.1677 29.55812 95.19209 37.77998 5.975594       47.96884 
1 1 1 9   23 18 o 64.08568 26.74049 32.54127       167.2658 82.05970       189.0395 -146.0364      358.9903 72.29875 29.08953 79.83058 36.05053 -7.531830      46.32322 
1 1 1 9   23 19 o 519.7335 12.01405 7975.682       366.2019 8287.500       498.5417 7610.286       539.6760 528.1161 16.11499 505.1193 18.24748 22.99677       24.34468 
1 1 1 9   23 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 21 o 209.1572 17.52106 1311.068       212.9500 1088.798       243.2695 2039.751       440.4712 189.1397 22.36282 256.6376 29.81946 -67.49783      37.27326 
1 1 1 9   23 22 o 143.5568 25.34846 641.3658       205.6145 478.8821       235.5181 1162.110       421.6302 122.2551 32.35028 188.5776 39.39552 -66.32252      50.97595 
1 1 1 9   23 23 o 200.1095 18.44594 1206.573       214.0460 1244.699       243.6250 1077.544       448.1884 202.5491 20.80426 179.1877 43.16378 23.36133       47.91585 
1 1 1 9   23 24 o 331.4991 12.37332 3257.413       240.1354 3266.313       290.8552 3238.356       425.5992 331.1152 15.01686 326.6031 22.35406 4.512146       26.92972 
1 1 1 9   23 25 o 220.6747 16.18173 1461.144       207.9688 1384.958       233.9516 1748.117       454.0556 213.9524 18.83697 233.0472 34.24143 -19.09480      39.08077 
1 1 1 9   23 26 f 345.3715 12.54587 3543.142       253.6970 3575.669       304.1311 3468.729       460.0066 345.9987 15.02354 336.4110 23.46249 9.587677       27.86028 
1 1 1 9   23 27 f 69.66091 28.65310 65.52103       188.2699 64.11115       213.6092 70.42850       398.5253 72.97785 30.31586 93.69527 40.26807 -20.71741      50.40406 
1 1 1 9   23 28 o 139.8596 24.85913 618.8722       196.4338 825.0521       229.0808 46.18053       381.7913 161.9400 24.91798 90.29599 39.11270 71.64404       46.37574 
1 1 1 9   23 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 30 o 98.62434 22.61716 311.8680       128.0268 334.2859       134.8512 107.0436       407.6133 102.0269 23.07855 94.24796 40.61742 7.778984       46.71611 
1 1 1 9   23 31 o 47.94601 21.60668 -49.95011      128.1780 -13.43883      136.2035 -332.6680      379.0106 52.74410 23.09532 70.44466 33.51513 -17.70055      40.70206 
1 1 1 9   23 32 o 77.80080 24.80900 194.3327       127.5890 204.4155       133.9092 95.01968       420.2646 79.60418 25.41954 91.24335 40.23919 -11.63918      47.59564 
1 1 1 9   23 33 o 245.9121 10.78402 1811.226       155.1508 1807.385       167.5666 1834.302       410.7174 245.2052 11.68581 230.9505 31.11388 14.25470       33.23600 
1 1 1 9   23 34 o 139.3326 16.67235 605.3600       133.5372 644.6563       140.8144 254.3784       420.8365 143.6467 17.04677 97.17155 41.56323 46.47517       44.92321 
1 1 1 9   23 35 f 141.8223 14.24008 618.9740       116.8414 548.1047       122.0857 1391.115       402.9806 132.5522 16.02984 191.7212 37.18170 -59.16904      40.48993 
1 1 1 9   23 36 o 109.0804 18.90262 384.7231       116.5465 414.7684       121.7021 52.47523       404.7067 113.3024 18.98616 83.22501 37.85825 30.07735       42.35234 
1 1 1 9   23 37 o 86.23970 23.80895 256.0211       124.3707 206.1272       130.5210 748.3212       409.9884 77.75769 25.12172 126.3523 44.51545 -48.59457      51.11483 
1 1 1 9   23 38 o 53.50772 22.20086 47.18781       114.3611 70.97729       119.4537 -214.1072      395.8882 57.14457 23.07726 70.61412 33.77671 -13.46955      40.90753 
1 1 1 9   23 39 o 52.30451 22.14279 35.12740       117.3213 37.32562       123.8159 15.80737       367.0661 53.55589 22.71325 76.19440 35.17395 -22.63851      41.87001 
1 1 1 9   23 40 o 147.3660 14.74390 682.8259       125.7175 656.8694       131.4509 961.0602       430.3730 143.7762 15.85208 135.2122 45.69736 8.563995       48.36877 
1 1 1 9   23 41 o 53.92794 23.02652 38.10045       128.7627 42.59084       134.6076 -10.26324      441.7609 55.20911 23.55759 77.76311 36.75764 -22.55400      43.65872 
1 1 1 9   23 42 o 76.24694 25.21904 209.0328       131.1741 250.8342       137.7729 -196.2458      428.9882 82.62860 25.70449 70.45622 34.06943 12.17238       42.67841 
1 1 1 9   23 43 f 60.31511 24.33063 95.30423       132.6188 64.74562       140.4529 346.5380       402.7196 57.77640 24.33124 89.91579 39.53174 -32.13939      46.41947 
1 1 1 9   24 0  o 479.9502 8.842905 6774.587       248.9096 6596.491       445.1691 6855.589       300.2251 471.7373 16.11433 482.5016 10.60957 -10.76428      19.29338 
1 1 1 9   24 1  o 177.6306 8.152625 929.4887       84.70443 854.0729       258.5306 938.5579       89.65297 166.3176 27.46235 178.4520 8.591528 -12.13445      28.77490 
1 1 1 9   24 2  o 62.88188 17.78878 120.4113       68.52798 0.000000       0.000000 120.4113       68.52798 ?        ?        62.88188 17.78878 0.000000       17.78878 
1 1 1 9   24 3  o 381.5452 7.768243 4278.702       173.8278 4061.512       328.9349 4362.858       204.7538 370.2349 15.18114 385.1189 9.065391 -14.88403      17.68186 
1 1 1 9   24 4  o 142.5550 8.838136 599.9929       73.52795 624.6336       225.6345 597.0653       77.77328 141.4749 28.18446 142.1441 9.381804 -0.6691895     29.70491 
1 1 1 9   24 5  o 353.4176 7.489128 3670.774       155.2280 3336.555       285.6351 3810.851       184.9179 335.6113 14.54645 359.9514 8.759607 -24.34009      16.98028 
1 1 1 9   24 6  o 137.3652 9.402169 557.8566       75.28850 527.8249       216.6294 561.9824       80.29375 129.5348 29.21414 137.8009 10.00337 -8.266144      30.87933 
1 1 1 9   24 7  o 442.8530 8.240231 5767.065       214.0176 5713.359       372.8986 5793.445       261.3462 439.2703 14.49451 443.5633 10.04639 -4.293030      17.63578 
1 1 1 9   24 8  o 241.3975 8.799442 1716.669       124.3687 0.000000       0.000000 1716.669       124.3687 ?        ?        241.3975 8.799442 0.000000       8.799442 
1 1 1 9   24 9  o 281.1035 11.80382 2335.421       194.1653 2455.697       256.1021 2172.829       297.7659 287.5236 15.24205 269.4436 18.96441 18.07996       24.33042 
1 1 1 9   24 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   24 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   24 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   24 13 f 357.8277 10.85401 3779.609       227.5162 3684.051       288.2802 3937.433       370.4802 352.5057 13.97202 363.3521 17.43637 -10.84647      22.34378 
1 1 1 9   24 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   24 15 o 193.9215 16.46126 1125.055       185.4471 1169.483       220.3119 1017.049       343.5026 197.0202 19.31466 178.6987 34.01842 18.32150       39.11916 
1 1 1 9   24 16 o 229.8943 14.38224 1571.311       192.9408 1642.206       227.5058 1389.711       364.1190 234.5061 16.65027 211.2035 30.25966 23.30269       34.53808 
1 1 1 9   24 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   24 18 o 222.5719 16.62910 1479.755       215.4960 1543.484       251.1879 1302.081       419.4127 226.6982 19.06959 201.6722 36.81669 25.02592       41.46225 
1 1 1 9   24 19 o 149.3061 24.26961 688.1682       205.2241 452.1518       235.2088 1440.862       420.0410 119.1236 32.68517 213.1679 34.79785 -94.04431      47.74108 
1 1 1 9   24 20 f 278.1669 14.41483 2298.914       234.3589 2392.914       277.0913 2062.684       439.2627 283.1711 16.75985 258.0947 29.55207 25.07639       33.97378 
1 1 1 9   24 21 o 137.6696 26.80305 595.1351       208.6209 635.5563       240.0040 470.1826       421.9745 141.4304 29.87307 125.5994 45.06664 15.83094       54.06850 
1 1 1 9   24 22 o 398.6850 12.24797 4706.110       286.0415 4773.519       361.6572 4593.497       467.4484 400.4118 15.42955 390.5397 20.48040 9.872101       25.64211 
1 1 1 9   24 23 o 284.4781 14.11995 2408.773       234.8405 2324.610       283.1382 2594.308       420.3897 278.3738 17.43029 290.8499 24.88407 -12.47601      30.38144 
1 1 1 9   24 24 o 278.3723 14.18089 2310.039       230.7528 2592.365       278.0215 1684.945       413.6908 294.2255 16.17415 230.1901 31.46635 64.03540       35.37986 
1 1 1 9   24 25 o 73.57436 29.18856 104.5263       187.6412 46.44144       214.2800 295.5393       388.5811 71.69601 30.11473 108.0036 42.26130 -36.30759      51.89330 
1 1 1 9   24 26 o 85.31744 29.47902 213.7416       179.3010 173.1597       204.7696 347.1184       371.2271 82.60012 31.08954 110.5083 41.80125 -27.90816      52.09514 
1 1 1 9   24 27 o 66.20372 27.76861 40.39854       181.7958 101.5786       203.9525 -196.1756      401.0587 74.95753 30.19555 80.31548 36.96460 -5.357956      47.73000 
1 1 1 9   24 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   24 29 o 153.7048 22.68489 743.9156       198.3528 695.6202       230.1360 883.4384       391.1596 146.0971 27.87593 156.4694 41.82318 -10.37230      50.26178 
1 1 1 9   24 30 o 70.58630 28.65671 93.62920       185.3083 142.1257       206.2252 -109.7161      422.2831 77.67767 30.66818 83.47684 38.23834 -5.799171      49.01743 
1 1 1 9   24 31 o 97.44833 30.57970 322.9095       194.5465 268.2162       218.2652 534.3258       429.1279 91.14082 32.44466 119.3608 44.98892 -28.22001      55.46764 
1 1 1 9   24 32 o 115.8477 19.73433 428.3082       129.2773 394.8969       137.0852 696.7983       388.6049 110.1078 21.99876 131.5578 43.40245 -21.45000      48.65920 
1 1 1 9   24 33 o 118.1979 19.34842 446.4214       129.4874 437.7467       135.8190 533.0083       429.1021 116.3806 20.65539 115.4444 44.62327 0.9361801      49.17196 
1 1 1 9   24 34 o 132.8766 18.32823 559.8857       139.0299 553.6144       147.3135 610.9909       420.5321 131.3640 19.73034 119.7565 44.66063 11.60748       48.82477 
1 1 1 9   24 35 o 111.4553 21.28594 409.8281       134.0649 444.1439       141.3729 103.4198       422.4441 115.9643 21.58098 86.91216 39.19068 29.05212       44.73978 
1 1 1 9   24 36 o 54.52592 22.88937 41.13008       123.6795 124.6040       129.3309 -851.8787      423.0138 65.58857 24.70315 58.12279 29.11638 7.465778       38.18388 
1 1 1 9   24 37 o 130.6284 19.29573 555.4248       143.3818 628.5237       151.7623 -52.14206      437.5276 139.2159 19.08987 79.22420 37.17845 59.99168       41.79306 
1 1 1 9   24 38 o 140.9702 15.77639 628.1187       128.1981 668.3634       136.1393 313.0347       380.9273 145.1317 16.27452 92.31049 39.51506 52.82117       42.73523 
1 1 1 9   24 39 o 42.12552 19.83711 -101.5618      126.4604 -65.74696      132.9041 -444.2735      411.1226 45.82402 21.15788 63.94722 31.44068 -18.12320      37.89686 
1 1 1 9   24 40 o 71.95050 24.47332 178.7951       123.4531 154.1663       129.3264 431.6241       414.3607 68.40555 24.89413 97.08854 41.37671 -28.68299      48.28820 
1 1 1 9   24 41 o 63.85689 24.72611 122.5235       131.9208 136.1055       138.5944 -8.406291      430.3117 66.06795 25.40690 76.45826 36.18180 -10.39031      44.21123 
1 1 1 9   24 42 o 42.04584 19.80505 -96.81545      126.2076 -89.40524      131.9753 -176.0788      431.6317 43.62449 20.45522 70.93131 34.26867 -27.30682      39.90937 
1 1 1 9   25 0  o 373.0556 7.915763 4091.753       173.1877 4188.244       353.3109 4061.235       198.6966 375.5587 16.07810 371.5023 9.119656 4.056427       18.48441 
1 1 1 9   25 1  o 85.46204 13.54896 221.0065       65.64661 414.5229       249.2126 206.5776       68.04997 115.0640 34.33253 82.36580 14.62300 32.69816       37.31695 
1 1 1 9   25 2  o 217.6284 7.609022 1393.936       96.96751 1386.456       253.2142 1395.221       104.9693 214.6529 20.35743 217.6604 8.237904 -3.007523      21.96106 
1 1 1 9   25 3  o 166.1129 8.543627 813.8043       82.95351 636.2148       225.2794 841.6606       89.22258 142.6713 27.92380 168.8824 9.041195 -26.21104      29.35101 
1 1 1 9   25 4  o 259.0927 7.335693 1974.666       111.3549 1931.595       246.3991 1985.721       124.8298 254.6103 16.59146 259.7155 8.205694 -5.105225      18.50973 
1 1 1 9   25 5  o 119.3462 10.18478 422.6040       70.60652 -4.444070      214.7200 474.3789       74.76424 68.61124 29.52345 126.4981 10.16311 -57.88689      31.22375 
1 1 1 9   25 6  o 166.2895 8.275889 815.3804       80.45686 1430.701       239.1342 736.8355       85.43778 218.3567 18.85809 157.9412 9.264359 60.41551       21.01085 
1 1 1 9   25 7  o 317.4027 7.450557 2961.798       138.6915 2642.597       255.2973 3095.446       165.1940 298.3741 14.63394 324.2194 8.695548 -25.84528      17.02248 
1 1 1 9   25 8  o 168.9164 8.995286 842.2237       88.79092 1025.911       221.2997 806.9799       96.93547 184.0665 20.86784 165.1970 10.05289 18.86955       23.16306 
1 1 1 9   25 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   25 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   25 11 o 194.7150 16.00039 1133.031       181.1072 1132.441       218.0314 1134.346       325.2648 193.8070 19.44463 190.4753 30.11724 3.331680       35.84887 
1 1 1 9   25 12 o 402.9852 10.82420 4793.007       255.5890 4711.068       320.0604 4937.235       424.6307 398.7479 13.70658 406.7745 17.84288 -8.026611      22.49975 
1 1 1 9   25 13 o 228.5312 14.47650 1553.286       193.0286 1566.255       230.2769 1522.638       353.9908 228.8088 17.28829 222.1677 27.77321 6.641083       32.71447 
1 1 1 9   25 14 o 150.5887 20.69357 690.6979       177.9311 446.3697       200.9023 1579.584       383.1962 118.6749 29.09353 225.6051 29.68079 -106.9303      41.56179 
1 1 1 9   25 15 o 162.7999 21.66694 807.7532       201.7407 789.6726       234.7974 858.7469       394.3173 159.6656 25.96581 161.5449 41.42591 -1.879257      48.89099 
1 1 1 9   25 16 o 209.8781 16.62970 1316.745       203.0206 1386.712       237.6135 1127.550       390.7315 214.7888 19.06063 187.2954 36.88452 27.49342       41.51837 
1 1 1 9   25 17 o 261.0847 14.29213 2024.588       218.0064 1785.023       252.8835 2717.861       430.1901 244.2361 17.77639 299.0845 24.74669 -54.84840      30.46964 
1 1 1 9   25 18 o 457.4985 11.64721 6183.136       312.2545 6449.844       411.9021 5822.760       478.7989 466.1113 15.08782 441.4673 18.53409 24.64404       23.89885 
1 1 1 9   25 19 o 428.2814 11.63338 5420.811       291.9330 5105.944       350.2646 6137.153       528.3151 414.7810 14.42076 452.3634 19.96301 -37.58240      24.62681 
1 1 1 9   25 20 o 162.8474 21.63580 810.8309       201.5273 766.1080       228.5482 967.1286       427.2574 156.9245 25.72393 169.9022 42.88249 -12.97771      50.00629 
1 1 1 9   25 21 o 265.6079 14.19783 2099.426       220.3599 2095.330       262.5950 2109.177       405.1622 264.5084 17.01794 261.4395 26.80362 3.068909       31.74971 
1 1 1 9   25 22 o 129.0359 27.27724 529.2458       199.9577 580.9722       235.5998 396.0226       378.1017 134.2661 30.60292 116.2319 42.52430 18.03419       52.39136 
1 1 1 9   25 23 o 474.4693 12.33629 6677.512       342.9846 6732.687       431.1384 6582.399       566.0643 474.8657 15.50164 466.2486 20.75331 8.617096       25.90369 
1 1 1 9   25 24 o 70.50034 29.07892 64.11983       194.6179 -17.67303      217.8824 386.9414       432.8584 67.13313 29.30729 117.0963 44.93377 -49.96313      53.64663 
1 1 1 9   25 25 o 192.2306 18.38391 1122.316       204.7358 1308.357       234.0332 515.6758       422.6089 207.2535 19.48267 126.0708 45.11650 81.18273       49.14339 
1 1 1 9   25 26 o 461.7600 11.78530 6331.686       318.8985 6368.583       402.3809 6269.369       522.9264 461.3903 14.88975 454.4476 19.66688 6.942627       24.66761 
1 1 1 9   25 27 o 345.9237 12.69290 3567.999       257.0721 3830.553       316.3585 3057.620       441.0790 357.2065 15.13544 313.4256 24.18246 43.78088       28.52846 
1 1 1 9   25 28 o 43.54676 21.31264 -326.1190      182.2953 -332.9002      203.2032 -298.1601      412.6103 46.97430 22.88332 76.26978 35.88981 -29.29547      42.56436 
1 1 1 9   25 29 o 78.67589 30.02213 163.8338       192.5193 102.9727       215.9323 399.7127       425.1013 74.98206 30.74687 111.8632 44.07275 -36.88110      53.73804 
1 1 1 9   25 30 o 114.2672 28.82813 445.1199       193.1501 532.6253       223.0396 182.6885       386.2535 124.1033 30.79193 93.97189 39.99524 30.13143       50.47536 
1 1 1 9   25 31 o 248.9288 14.33801 1884.573       208.4363 1786.983       234.1446 2257.208       457.5345 240.8649 16.67824 256.7338 31.01500 -15.86885      35.21497 
1 1 1 9   25 32 o 139.6029 23.60647 641.0604       186.3922 466.3522       209.9673 1290.630       404.8629 114.5665 30.65046 184.6096 38.63633 -70.04314      49.31750 
1 1 1 9   25 33 o 177.4329 12.87306 957.3870       133.0462 896.5709       139.7290 1547.942       435.4191 171.0959 14.04868 201.7905 38.19048 -30.69466      40.69248 
1 1 1 9   25 34 o 121.1729 18.71559 470.9766       128.7222 403.0890       135.8387 1068.427       402.9761 110.3072 21.77085 159.4268 42.37625 -49.11961      47.64154 
1 1 1 9   25 35 o 92.95620 24.91498 300.4760       138.5811 332.6320       145.9330 5.238411       442.1893 97.63859 25.28608 82.73839 38.33900 14.90020       45.92673 
1 1 1 9   25 36 o 46.05304 21.04197 -53.30330      126.8028 -65.24393      132.6809 72.57157       430.7887 46.27011 21.28296 83.83600 38.48401 -37.56589      43.97708 
1 1 1 9   25 37 o 52.91632 23.24958 5.376852       139.0880 81.73603       148.0796 -566.7229      405.3222 61.65216 25.39062 61.33860 30.35559 0.3135605      39.57456 
1 1 1 9   25 38 o 42.34299 20.13843 -130.7380      136.6065 -110.1207      144.1623 -312.1013      427.5732 44.98288 21.18186 68.74233 33.42101 -23.75945      39.56810 
1 1 1 9   25 39 o 54.64591 24.16198 7.934015       152.4678 -8.406610      163.5738 116.1577       420.9599 54.91181 24.60430 81.92091 37.76381 -27.00910      45.07191 
1 1 1 9   25 40 o 88.90350 26.06336 292.1823       144.6595 326.3636       152.3179 -22.31786      462.0263 93.63461 26.53190 77.74183 36.99173 15.89278       45.52285 
1 1 1 9   25 41 o 81.23237 29.56561 249.6831       182.4253 237.0751       196.8539 326.3538       485.4406 79.83485 30.38372 90.17944 41.19118 -10.34459      51.18480 
1 1 1 9   25 42 o 45.93598 21.61360 -99.31274      149.5735 -109.3783      159.2516 -23.96907      435.7011 46.92641 22.14771 75.01668 35.75887 -28.09026      42.06207 
1 1 1 9   26 0  o 236.2255 7.669952 1642.595       106.1192 1924.158       269.4404 1590.901       115.4505 253.5534 18.24127 232.3749 8.485667 21.17851       20.11841 
1 1 1 9   26 1  o 220.5279 7.954623 1432.192       102.7121 1334.590       256.1307 1450.895       112.1223 210.1626 21.06412 221.8814 8.632768 -11.71884      22.76449 
1 1 1 9   26 2  o 139.4833 9.831692 575.9241       79.91160 444.5158       239.5271 592.3822       84.76824 118.2785 33.18694 141.4093 10.29172 -23.13081      34.74611 
1 1 1 9   26 3  o 315.0901 7.417464 2918.948       137.0695 2790.595       264.6438 2966.003       160.2370 306.5574 14.76311 317.3592 8.617142 -10.80185      17.09400 
1 1 1 9   26 4  o 244.7524 7.386852 1762.782       105.9106 1994.134       250.9935 1712.665       116.8203 258.5548 16.64069 241.1368 8.272708 17.41800       18.58360 
1 1 1 9   26 5  o 147.0675 9.146763 639.2220       78.50177 554.2453       222.6963 651.2795       83.88648 132.3329 29.45260 148.3830 9.692621 -16.05002      31.00649 
1 1 1 9   26 6  o 231.1498 7.678539 1572.984       103.9488 1704.165       241.4235 1543.130       115.1712 238.7268 17.36227 228.8284 8.597186 9.898361       19.37421 
1 1 1 9   26 7  o 341.5373 7.743099 3430.656       155.0970 3019.479       278.1795 3616.125       186.8305 318.8097 14.91933 350.3347 9.100851 -31.52499      17.47603 
1 1 1 9   26 8  o 172.4898 10.45668 880.3515       105.2841 0.000000       0.000000 880.3515       105.2841 ?        ?        172.4898 10.45668 0.000000       10.45668 
1 1 1 9   26 9  o 128.6328 11.59203 492.3113       86.51319 542.8736       227.6358 483.7753       93.53126 130.6747 30.29412 127.3196 12.69498 3.355034       32.84656 
1 1 1 9   26 10 o 219.5588 11.94633 1427.738       153.2487 1237.858       227.3078 1585.963       207.4972 202.7092 19.35482 230.7020 15.42456 -27.99281      24.74927 
1 1 1 9   26 11 o 239.7742 14.41251 1709.122       201.7358 1569.399       240.9985 2036.245       368.7533 228.8161 18.10629 258.6108 24.60929 -29.79475      30.55249 
1 1 1 9   26 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   26 13 o 241.6742 15.22385 1738.656       214.6807 1922.460       264.5515 1384.211       367.3729 253.4691 17.91187 210.6167 30.63932 42.85242       35.49089 
1 1 1 9   26 14 o 99.77356 31.25235 305.4971       203.2925 349.8214       241.5047 197.7215       376.5869 106.7383 34.14261 102.3862 41.10532 4.352150       53.43562 
1 1 1 9   26 15 o 412.2382 12.14044 5023.391       293.1972 4684.393       350.2367 5817.421       536.0208 397.2148 15.06167 440.3127 20.81619 -43.09787      25.69373 
1 1 1 9   26 16 o 344.7743 13.06203 3520.276       263.6391 3897.699       324.7674 2790.938       451.4632 362.1521 15.32547 302.5886 25.68253 59.56348       29.90756 
1 1 1 9   26 17 o 443.2060 11.76706 5805.448       305.5905 5945.276       390.9721 5585.889       489.9182 447.4591 14.91934 431.8530 19.39307 15.60611       24.46789 
1 1 1 9   26 18 o 133.8574 26.51613 562.8542       200.7990 647.7214       234.1590 327.0288       390.3339 143.0813 28.90090 112.4744 42.78959 30.60683       51.63536 
1 1 1 9   26 19 o 110.3615 30.02053 388.5005       199.4170 384.7842       228.9583 400.1786       405.8749 110.0814 32.92255 118.7508 43.95304 -8.669403      54.91598 
1 1 1 9   26 20 o 145.9795 24.31074 663.1992       200.8164 761.8930       238.5036 422.8108       372.2260 155.7064 27.10183 118.5774 42.35240 37.12901       50.28156 
1 1 1 9   26 21 o 93.40138 31.45998 262.2039       203.9764 208.0771       233.3036 437.8112       420.2292 89.34610 33.27563 121.2440 44.75086 -31.89786      55.76654 
1 1 1 9   26 22 o 603.7429 12.89651 10818.88       456.6410 10889.01       601.2482 10723.28       701.9619 602.7856 17.02455 595.6417 20.12343 7.143921       26.35883 
1 1 1 9   26 23 o 150.5092 25.00649 712.2059       212.9899 498.7650       245.7954 1355.544       426.7314 123.0446 33.26969 201.9800 37.40141 -78.93534      50.05734 
1 1 1 9   26 24 o 190.7379 19.00896 1108.227       209.8123 1288.110       244.1855 600.7956       410.1225 205.1364 20.57419 132.8564 44.60836 72.28004       49.12437 
1 1 1 9   26 25 o 250.6789 15.04162 1885.915       220.1206 1900.843       254.0993 1841.025       440.6270 250.7151 17.38889 238.2018 32.37846 12.51331       36.75239 
1 1 1 9   26 26 f 356.4640 12.21990 3784.917       255.0887 3603.815       294.2231 4333.103       511.8933 346.7220 14.50123 373.8150 23.46762 -27.09302      27.58650 
1 1 1 9   26 27 o 58.35753 26.18980 -57.99111      186.1419 -22.78818      214.3992 -165.7590      375.1271 65.25780 28.76162 77.44519 35.68192 -12.18739      45.83045 
1 1 1 9   26 28 o 67.05086 27.91221 62.32798       181.6236 36.14944       201.9399 173.1450       415.4825 67.47565 28.82462 96.80859 41.35012 -29.33295      50.40527 
1 1 1 9   26 29 o 195.3565 16.97806 1174.905       192.5911 1213.829       218.2236 1037.800       409.5620 197.3756 19.09002 164.5028 42.23724 32.87283       46.35098 
1 1 1 9   26 30 o 73.71139 29.15584 134.1637       186.7006 200.1117       212.9483 -84.97775      388.1821 82.68070 31.56888 79.21250 36.42391 3.468201       48.20057 
1 1 1 9   26 31 o 58.04847 26.51192 -75.14904      201.0294 5.152247       227.9146 -356.5513      426.6529 66.94031 29.57224 72.05318 34.62272 -5.112877      45.53296 
1 1 1 9   26 32 o 137.4900 25.38304 636.3411       197.1371 570.9236       219.4992 909.2139       448.2973 126.8861 29.97627 143.0277 46.58480 -16.14162      55.39603 
1 1 1 9   26 33 o 71.02384 29.09507 115.4413       193.1137 -27.91504      214.3148 734.3594       445.3078 62.16051 27.98200 126.2904 46.15782 -64.12991      53.97718 
1 1 1 9   26 34 o 52.84364 24.44867 -88.48891      178.7875 -151.5381      199.1539 173.3379       405.8413 52.43636 24.75405 88.25809 39.20110 -35.82174      46.36258 
1 1 1 9   26 35 f 63.08966 27.11281 52.37095       180.6478 -7.429052      196.2214 384.8662       462.6883 60.38894 27.01136 99.65148 43.11142 -39.26254      50.87444 
1 1 1 9   26 36 o 54.08133 24.71395 -51.55031      175.0079 -134.7625      193.2889 326.9835       412.2549 51.87910 24.45920 94.12710 40.70774 -42.24800      47.49076 
1 1 1 9   26 37 o 126.4058 18.70919 522.3842       134.5158 545.6738       142.9491 342.2867       397.5151 128.6423 19.56278 93.44045 40.18855 35.20185       44.69700 
1 1 1 9   26 38 o 61.93383 24.79864 100.2421       136.6847 148.3331       144.9241 -286.9852      411.2361 68.50769 26.07058 67.71787 32.88918 0.7898178      41.96872 
1 1 1 9   26 39 o 73.06256 26.70368 184.7132       149.0432 221.2310       159.6790 -62.34078      415.3283 78.08266 27.75549 74.21275 35.24369 3.869919       44.86073 
1 1 1 9   26 40 o 69.16701 26.92385 153.6512       157.0491 230.7876       172.1001 -230.3879      384.0067 78.94495 28.71915 66.27207 32.09125 12.67287       43.06551 
1 1 1 9   26 41 o 55.04483 24.80960 -7.466438      169.0716 110.8348       183.8279 -656.8506      430.6929 66.26569 27.86696 59.38510 29.69402 6.880592       40.72225 
1 1 1 9   27 0  o 368.3523 8.149872 3992.045       176.0616 3989.946       336.1122 3992.838       206.6863 366.2888 15.68254 368.0316 9.583975 -1.742828      18.37919 
1 1 1 9   27 1  o 447.2046 8.548002 5886.048       224.1927 6236.003       413.2231 5740.065       266.8878 458.1808 15.39979 441.2567 10.31305 16.92404       18.53409 
1 1 1 9   27 2  o 436.9814 8.284287 5618.748       212.3091 5205.821       355.3127 5848.048       264.7746 418.8998 14.48452 445.4292 10.13555 -26.52939      17.67853 
1 1 1 9   27 3  o 127.9319 10.32543 485.5795       76.81304 259.2032       217.9549 517.6839       82.07928 94.72649 32.51074 132.0665 10.68844 -37.34002      34.22267 
1 1 1 9   27 4  o 201.9677 8.052180 1201.919       95.18633 1116.951       246.3445 1216.831       103.2017 191.5907 22.34276 203.1398 8.682485 -11.54910      23.97049 
1 1 1 9   27 5  o 264.8118 7.734274 2064.254       119.9891 2135.529       270.2153 2046.748       133.9161 267.3208 17.32899 263.5551 8.675673 3.765686       19.37940 
1 1 1 9   27 6  o 74.27110 16.30109 170.1572       69.05235 562.4563       229.8349 131.2323       72.39712 133.0418 30.15520 65.39463 18.20772 67.64715       35.22580 
1 1 1 9   27 7  o 80.70200 16.46094 200.3976       75.26656 372.1644       223.4068 178.4052       79.93991 108.8472 32.51331 75.88367 18.19757 32.96349       37.25945 
1 1 1 9   27 8  o 93.00825 17.39121 265.4815       91.37736 0.000000       0.000000 265.4815       91.37736 ?        ?        93.00825 17.39121 0.000000       17.39121 
1 1 1 9   27 9  o 174.4641 10.14168 900.0822       103.3214 750.9413       245.6848 932.1260       113.8814 154.8944 28.07899 177.4240 10.99842 -22.52968      30.15618 
1 1 1 9   27 10 o 135.6206 14.94129 551.6324       116.8735 593.1968       238.2130 538.4554       134.1261 136.6541 30.49719 133.4046 17.56990 3.249466       35.19631 
1 1 1 9   27 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   27 12 o 331.4165 13.63120 3255.389       264.3813 2925.634       321.7058 3941.431       464.0219 313.0348 17.59411 361.7600 21.97458 -48.72522      28.15022 
1 1 1 9   27 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   27 14 o 202.1898 19.08076 1230.873       223.5831 960.0068       264.0587 1916.896       420.2350 176.1570 26.36916 248.8536 29.35816 -72.69667      39.46180 
1 1 1 9   27 15 o 325.1326 12.86038 3131.244       244.7413 3168.611       293.0934 3045.178       444.8168 326.3773 15.35518 316.6616 24.13342 9.715698       28.60426 
1 1 1 9   27 16 o 305.8143 13.37151 2774.267       239.2422 2865.737       282.7825 2543.927       448.7442 310.1889 15.59449 287.8179 26.89608 22.37100       31.08998 
1 1 1 9   27 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   27 18 o 61.95196 27.71836 -71.92058      206.7847 -199.8511      238.8486 310.9183       413.1842 59.71707 27.84252 112.1283 43.66402 -52.41123      51.78564 
1 1 1 9   27 19 o 111.6815 30.48324 401.1583       205.2030 327.7014       234.4748 641.4932       424.1194 102.8511 33.70281 138.6210 45.32179 -35.76992      56.47959 
1 1 1 9   27 20 o 81.86829 30.74670 167.7609       200.0403 198.7682       225.7366 54.35188       431.7112 87.58716 32.70959 96.46410 41.68773 -8.876938      52.98853 
1 1 1 9   27 21 o 228.2158 17.16072 1569.396       228.0021 1463.153       264.5405 1876.288       449.6082 218.9140 20.85653 241.8423 32.52309 -22.92833      38.63607 
1 1 1 9   27 22 o 178.0492 21.34963 975.4281       218.4958 984.8755       254.5950 949.0186       425.6693 177.3491 25.18500 164.8689 43.42771 12.48021       50.20210 
1 1 1 9   27 23 o 62.29808 27.58974 -42.10809      199.5742 134.1923       229.5572 -587.8624      403.8898 81.01689 32.23798 67.13770 32.60432 13.87919       45.85117 
1 1 1 9   27 24 o 108.5921 30.79359 387.1840       205.1012 465.7851       233.9984 126.6016       426.0605 118.3493 32.65170 98.25368 41.91758 20.09564       53.13395 
1 1 1 9   27 25 o 106.2933 29.75741 372.4616       192.8080 498.3209       216.4274 -111.5917      424.4400 122.5552 30.28775 85.39319 38.81547 37.16200       49.23402 
1 1 1 9   27 26 o 114.1043 27.85948 430.4075       184.7876 479.3801       208.3800 250.1265       399.8104 119.7335 29.79482 101.9007 41.81728 17.83276       51.34605 
1 1 1 9   27 27 o 162.1098 20.59682 824.6907       191.4065 882.4850       217.8185 628.7911       401.0229 166.5305 22.90875 129.0501 44.10454 37.48033       49.69931 
1 1 1 9   27 28 o 64.03909 27.34768 35.08158       181.6699 41.84610       207.2533 12.64369       377.4625 67.99132 29.12677 83.69325 37.44733 -15.70193      47.44125 
1 1 1 9   27 29 o 78.37605 29.52053 178.7469       184.6950 129.8265       207.5338 365.0365       404.9841 75.19765 30.39993 104.8516 42.43826 -29.65395      52.20308 
1 1 1 9   27 30 o 139.9170 24.10538 647.1133       190.6656 655.3542       212.6123 613.2645       430.8970 138.8512 27.08187 121.3007 45.21333 17.55057       52.70364 
1 1 1 9   27 31 o 113.7751 29.23942 457.9090       196.1519 586.2898       225.5226 59.07344       397.4999 128.2503 30.44204 84.81232 38.14966 43.43801       48.80691 
1 1 1 9   27 32 o 210.0473 17.92903 1390.192       218.7541 1449.726       250.9469 1201.784       446.4247 212.4102 20.39479 166.4068 44.76920 46.00342       49.19582 
1 1 1 9   27 33 o 56.94410 25.79052 -40.24027      185.3253 -247.0323      208.5347 736.7166       404.2127 49.45125 23.87345 126.2205 44.22205 -76.76923      50.25467 
1 1 1 9   27 34 o 65.59856 28.24186 60.62098       196.6799 21.07514       218.7691 227.3157       449.1554 65.06281 28.84638 91.61813 40.93134 -26.55532      50.07483 
1 1 1 9   27 35 o 109.7873 28.78203 445.6455       187.5497 496.1559       206.8332 212.0259       444.8203 114.7157 30.29803 89.42336 40.27869 25.29234       50.40182 
1 1 1 9   27 36 o 143.7612 25.98100 731.9787       210.9921 766.7512       245.1737 632.7004       414.2694 142.9496 30.19236 112.0430 43.69550 30.90653       53.11192 
1 1 1 9   27 37 o 78.88822 30.13316 219.3619       194.0708 425.6411       213.7717 -747.5714      462.8291 103.0574 32.01202 61.35759 30.69546 41.69976       44.35065 
1 1 1 9   27 38 o 91.99009 32.54359 342.0475       219.2967 256.0254       250.1702 627.4668       455.6927 83.21798 33.47061 106.8607 44.32523 -23.64271      55.54285 
1 1 1 9   27 39 o 79.64392 31.28453 232.3201       213.6339 411.3650       252.6628 -216.6870      400.1169 97.30788 34.87760 67.82286 32.82187 29.48502       47.89282 
1 1 1 9   27 40 f 82.80223 26.71122 257.0529       147.5956 332.5500       158.3931 -240.7434      406.7214 93.47538 27.23593 67.26101 32.67672 26.21437       42.53896 
1 1 1 9   28 0  o 273.6202 8.378218 2205.282       134.2884 2024.925       292.3588 2253.509       151.1801 259.6499 19.33781 276.4498 9.337956 -16.79990      21.47436 
1 1 1 9   28 1  o 58.67532 18.89454 100.2963       73.87304 97.31689       240.3008 100.6073       77.63245 80.34962 32.62835 59.13548 19.39361 21.21415       37.95683 
1 1 1 9   28 2  o 296.8454 7.930485 2593.969       137.9404 2685.031       287.7846 2566.807       157.1717 300.1325 16.41194 295.1064 9.092084 5.026031       18.76214 
1 1 1 9   28 3  o 157.1567 9.734204 730.4489       89.27850 857.3140       242.9114 710.6352       95.99739 166.4944 25.70362 154.8741 10.63343 11.62027       27.81629 
1 1 1 9   28 4  o 210.6541 8.676147 1308.356       106.9589 1391.918       271.7735 1293.042       116.3482 214.2592 21.93741 209.3017 9.503224 4.957458       23.90735 
1 1 1 9   28 5  o 414.5837 8.394117 5057.950       204.0975 4755.900       354.4948 5207.718       249.6205 400.1588 15.13248 420.3407 10.12577 -20.18188      18.20778 
1 1 1 9   28 6  o 258.7332 8.367749 1971.897       126.8060 1875.446       275.7335 1997.768       142.8031 249.9941 18.94765 260.2785 9.370399 -10.28435      21.13806 
1 1 1 9   28 7  o 216.9803 10.10467 1390.515       128.2326 0.000000       0.000000 1390.515       128.2326 ?        ?        216.9803 10.10467 0.000000       10.10467 
1 1 1 9   28 8  o 447.9119 8.891015 5906.040       233.5579 6766.494       459.1079 5605.605       271.2851 476.9243 16.43859 436.0119 10.60906 40.91241       19.56475 
1 1 1 9   28 9  o 108.4549 17.83880 359.0511       109.5244 0.000000       0.000000 359.0511       109.5244 ?        ?        108.4549 17.83880 0.000000       17.83880 
1 1 1 9   28 10 o 343.5969 9.915110 3481.618       199.5919 2939.445       318.5742 3831.944       256.0812 313.8142 17.37747 359.9809 12.14704 -46.16666      21.20205 
1 1 1 9   28 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   28 12 o 128.6728 29.98833 526.6381       222.0990 358.9621       255.5420 1044.434       449.0616 108.1829 35.16706 177.1019 43.54472 -68.91893      55.97200 
1 1 1 9   28 13 o 95.88128 32.89591 267.3135       223.1447 -22.82771      252.3021 1309.469       478.1700 72.56102 31.60938 199.0621 42.26614 -126.5011      52.77859 
1 1 1 9   28 14 o 220.7354 17.79946 1462.655       228.4725 1523.048       264.1041 1283.037       455.4646 224.5161 20.27580 197.4255 40.69048 27.09056       45.46233 
1 1 1 9   28 15 o 61.14205 27.43742 -78.66261      204.2578 19.02625       232.8519 -404.7511      425.4269 72.65699 30.99266 76.57742 36.15934 -3.920433      47.62397 
1 1 1 9   28 16 o 294.3529 14.36240 2578.505       247.1912 2444.601       288.4242 2948.984       479.7509 285.6451 17.29795 309.4791 26.69285 -23.83398      31.80766 
1 1 1 9   28 17 o 285.3566 14.77816 2427.993       246.4772 2522.535       291.2546 2189.455       462.6337 290.0314 17.20014 263.9655 30.44097 26.06589       34.96423 
1 1 1 9   28 18 o 252.6194 15.24757 1908.544       224.8492 2096.043       266.6797 1447.502       418.1771 264.0492 17.31641 211.1578 34.99222 52.89133       39.04246 
1 1 1 9   28 19 o 286.5460 13.83228 2447.412       231.7683 2463.464       280.1204 2412.575       412.6705 286.4115 16.74956 279.1798 25.48468 7.231689       30.49617 
1 1 1 9   28 20 o 174.6370 21.92092 940.6177       219.5814 1004.845       255.4995 759.1360       429.4824 179.3290 24.96974 147.4114 45.30328 31.91756       51.72886 
1 1 1 9   28 21 o 176.1454 20.66551 953.0405       209.4302 917.8796       240.9558 1061.656       423.4996 171.2013 24.71273 175.1717 41.80592 -3.970383      48.56391 
1 1 1 9   28 22 f 137.7531 27.83016 611.5870       217.0893 470.9339       250.9229 1030.208       432.8885 118.9763 34.16554 171.0185 43.16411 -52.04220      55.04929 
1 1 1 9   28 23 o 139.7055 27.40123 630.3268       216.4841 588.9391       246.1168 771.8227       455.0698 133.0167 31.95052 145.6688 46.89449 -12.65211      56.74442 
1 1 1 9   28 24 o 140.6898 26.75015 640.2525       212.6540 608.7314       240.9473 751.3213       452.2903 135.1046 31.05945 142.5174 46.81465 -7.412811      56.18097 
1 1 1 9   28 25 f 89.72627 30.16670 255.9330       187.5544 250.3566       208.2179 279.9189       431.8371 89.95008 31.72086 105.1329 43.33493 -15.18281      53.70409 
1 1 1 9   28 26 o 150.6907 21.54075 719.5257       184.9597 749.3384       207.1455 602.2852       410.7841 152.5576 23.93937 126.1547 44.54878 26.40294       50.57358 
1 1 1 9   28 27 o 95.06329 30.05423 307.1247       187.5860 228.8426       208.8436 634.0010       426.7579 85.97816 31.57981 126.2976 45.32084 -40.31947      55.23824 
1 1 1 9   28 28 o 168.8477 19.54309 899.7203       189.9568 931.2025       219.3318 805.2343       379.9732 169.8825 22.57224 141.7963 42.41339 28.08621       48.04583 
1 1 1 9   28 29 o 168.3381 20.94567 908.2977       202.3287 983.3989       235.5867 697.2042       394.9709 173.1745 23.82710 129.1559 43.77675 44.01859       49.84110 
1 1 1 9   28 30 o 110.0025 30.13427 433.0709       200.1111 540.8076       226.1178 43.86694       429.7754 122.2707 31.37828 86.11903 39.11131 36.15171       50.14270 
1 1 1 9   28 31 f 108.0002 29.59816 420.9596       193.0079 401.9963       217.5629 491.0302       418.2118 104.0545 32.29022 109.0022 43.46721 -4.947716      54.14847 
1 1 1 9   28 32 o 226.8012 16.68639 1613.913       220.3977 1580.728       247.3182 1741.934       485.7694 222.1653 19.16874 204.2851 41.95100 17.88023       46.12296 
1 1 1 9   28 33 o 60.46384 26.55972 19.10030       181.4194 20.92813       201.0702 11.09638       420.7574 63.01957 27.81095 80.88715 37.45230 -17.86758      46.64894 
1 1 1 9   28 34 o 103.2286 29.56766 399.2658       188.1615 409.0240       209.6103 358.7714       426.9974 102.9495 31.65111 96.29930 41.53724 6.650169       52.22198 
1 1 1 9   28 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   28 36 o 121.8495 28.89137 558.5190       203.3073 431.5532       223.6811 1161.779       487.5714 102.9901 32.84944 143.2999 48.63781 -40.30977      58.69176 
1 1 1 9   28 37 o 134.0534 27.25757 659.4536       206.9883 743.0688       229.7456 299.0093       477.0056 140.9017 28.77623 90.41542 41.11811 50.48627       50.18735 
1 1 1 9   28 38 o 137.5268 30.02192 731.0255       235.3356 645.5336       283.8756 918.8948       420.8174 119.8639 36.83061 128.5186 45.11407 -8.654739      58.23893 
1 1 1 9   28 39 o 85.76196 33.29399 296.3667       239.6540 415.9947       290.0217 38.83008       425.5335 95.72228 36.76792 77.19503 36.36303 18.52725       51.71218 
1 1 1 9   29 0  o 173.5029 10.70696 891.1382       108.4183 459.9481       288.3560 962.1300       117.0035 120.5031 37.13691 180.2411 11.12282 -59.73802      38.76683 
1 1 1 9   29 1  o 246.8635 9.228469 1797.140       133.3742 1338.568       309.1431 1902.017       147.8411 208.7825 25.79535 253.8601 9.949286 -45.07768      27.64757 
1 1 1 9   29 2  o 41.83413 20.11172 -208.6567      144.3644 -321.0862      265.8955 -161.6614      171.9087 58.73806 27.98114 50.12590 23.45269 8.612160       36.50990 
1 1 1 9   29 3  o 194.9757 9.917198 1123.081       113.0294 714.7129       270.5777 1209.406       124.4036 149.8438 31.77619 202.2567 10.52388 -52.41286      33.47355 
1 1 1 9   29 4  o 83.94332 17.77108 217.5590       84.75872 52.33810       286.5922 233.3954       88.72784 82.52499 34.75497 86.96932 17.98972 -4.444336      39.13487 
1 1 1 9   29 5  o 354.7543 10.92797 3715.795       227.0907 3753.455       353.3637 3689.298       296.4026 354.8298 17.03025 352.6122 14.36296 2.217651       22.27834 
1 1 1 9   29 6  o 333.2814 11.11069 3280.837       216.8678 3186.062       326.0222 3356.057       290.4463 326.8271 17.06814 336.1620 14.76821 -9.334839      22.57037 
1 1 1 9   29 7  o 301.1622 11.76875 2682.199       207.4648 2838.480       332.6419 2582.707       265.4111 307.9496 18.50354 294.6267 15.41380 13.32285       24.08248 
1 1 1 9   29 8  o 225.1340 9.668595 1496.070       127.3625 1812.855       304.6283 1428.965       140.2045 244.9272 21.42259 219.8193 10.90950 25.10789       24.04048 
1 1 1 9   29 9  o 213.7367 10.07094 1349.571       125.8858 1576.252       294.6115 1298.939       139.2369 227.9257 22.32576 209.4649 11.37695 18.46088       25.05742 
1 1 1 9   29 10 o 267.0383 10.09518 2105.307       157.8177 2111.213       278.9553 2102.527       191.3916 265.4669 18.02423 266.4303 12.28170 -0.9633484     21.81085 
1 1 1 9   29 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   29 12 o 471.9800 12.48247 6595.071       345.2180 6973.857       445.5720 6026.236       546.0260 484.0146 15.71756 447.3339 20.87035 36.68073       26.12687 
1 1 1 9   29 13 o 124.5841 30.07097 497.3968       217.1900 347.7635       244.4956 1057.297       472.9463 105.9662 34.39500 176.1269 45.47423 -70.16070      57.01686 
1 1 1 9   29 14 o 96.03928 32.48055 275.3236       217.4262 231.4884       240.1365 474.7459       512.1929 92.66705 33.89142 128.8688 49.01841 -36.20171      59.59391 
1 1 1 9   29 15 o 422.6671 12.86024 5300.558       318.4142 5431.960       386.2654 5021.922       562.4753 426.7751 15.45803 405.7331 23.74184 21.04193       28.33065 
1 1 1 9   29 16 o 103.3861 32.28452 338.6023       217.1151 259.2002       246.3683 614.6638       459.3795 95.57721 34.41774 136.2265 47.17969 -40.64925      58.39952 
1 1 1 9   29 17 o 196.2449 20.12786 1174.196       228.3783 1285.626       262.4282 826.4310       463.6091 204.6037 22.22660 153.5101 47.04865 51.09358       52.03458 
1 1 1 9   29 18 o 230.5893 16.38643 1599.261       220.1583 1666.538       254.5109 1399.281       438.7991 234.5566 18.65513 204.9633 37.89952 29.59328       42.24201 
1 1 1 9   29 19 o 89.35724 32.21399 226.3884       215.9005 241.8404       247.8284 177.7411       439.7313 93.30072 34.37876 103.2151 43.23294 -9.914368      55.23573 
1 1 1 9   29 20 o 137.0659 26.53903 600.4828       205.6266 443.5170       235.7597 1099.483       420.3561 115.9001 33.06456 178.4322 41.02732 -62.53201      52.69257 
1 1 1 9   29 21 o 122.8874 30.84219 498.6987       221.9059 685.4282       257.8193 -35.00529      435.8723 144.1901 31.38126 90.65417 40.42310 53.53593       51.17432 
1 1 1 9   29 22 o 137.1197 27.97971 611.8499       217.3787 577.4911       246.9422 730.1261       458.1682 131.2702 32.29988 141.3716 47.14375 -10.10144      57.14731 
1 1 1 9   29 23 o 200.2632 18.74476 1230.908       217.5982 1294.290       257.7418 1073.636       406.0035 203.7785 21.91010 173.5082 40.61977 30.27031       46.15212 
1 1 1 9   29 24 o 56.48873 25.71675 -83.17276      187.2159 -165.5091      212.1596 206.5180       397.9553 55.73287 26.06890 97.92710 41.08031 -42.19423      48.65368 
1 1 1 9   29 25 o 62.07936 26.90587 10.94798       180.8806 31.75165       196.6923 -103.0621      460.4570 66.03095 28.33264 85.94739 39.57505 -19.91644      48.67158 
1 1 1 9   29 26 o 66.19254 28.37024 39.26404       196.8064 49.83206       217.6265 -8.174894      461.0865 69.62106 29.83631 88.57409 40.33727 -18.95303      50.17271 
1 1 1 9   29 27 o 81.76957 30.41743 204.8230       194.8339 212.4538       217.9187 174.4226       434.9615 83.93099 31.96198 94.31174 41.28498 -10.38074      52.21129 
1 1 1 9   29 28 o 75.38501 30.14420 144.2043       201.6867 138.0475       224.7976 169.6136       456.6772 76.77951 31.41496 94.12273 41.70678 -17.34322      52.21452 
1 1 1 9   29 29 o 55.03331 25.55093 -111.4017      197.8580 -19.92141      227.4965 -395.4730      400.8893 64.69039 28.99869 67.75307 32.80379 -3.062683      43.78370 
1 1 1 9   29 30 o 60.72018 26.91494 -1.671951      190.3479 -142.5717      210.2796 637.6519       447.9221 54.83345 25.74562 118.4367 45.64138 -63.60329      52.40203 
1 1 1 9   29 31 o 130.3619 26.22546 591.9736       193.5517 628.9194       216.8575 447.2705       429.1713 132.3787 28.75670 103.9504 43.05787 28.42828       51.77768 
1 1 1 9   29 32 o 58.68510 26.27195 -12.22095      186.0569 -20.12115      201.9477 32.13445       478.5124 60.21322 27.12902 84.70524 39.46490 -24.49202      47.89010 
1 1 1 9   29 33 o 52.60567 24.88975 -149.7868      203.4590 -149.3563      227.0831 -151.5389      458.1167 55.84474 26.38414 76.43309 36.49846 -20.58835      45.03621 
1 1 1 9   29 34 o 149.2641 24.67610 775.7821       208.4729 884.4424       235.9898 389.6503       444.8622 157.7703 26.43909 96.45737 41.99667 61.31297       49.62606 
1 1 1 9   29 35 o 52.73662 25.11399 -164.0390      213.8376 -248.1331      248.6350 74.90752       419.1118 53.67886 25.95194 80.18796 37.21518 -26.50910      45.37039 
1 1 1 9   29 36 o 216.7801 17.99954 1523.355       226.7774 1720.965       257.9325 850.3843       475.9923 228.7349 19.41065 120.0899 46.83653 108.6450       50.69945 
1 1 1 9   29 37 o 88.52905 33.97292 322.9793       247.4444 545.6890       289.5543 -280.0491      476.4632 108.5262 37.46330 70.81100 34.61367 37.71523       51.00593 
1 1 1 9   29 38 o 64.96941 29.40344 25.55001       240.3522 -117.4059      292.3628 323.6155       422.1598 62.60270 29.68341 88.90071 39.70219 -26.29802      49.57185 
1 1 1 9   30 0  f 137.5242 13.16279 564.5289       104.8699 849.0256       304.7974 526.3278       111.6890 163.0675 33.00489 132.4671 14.61934 30.60045       36.09775 
1 1 1 9   30 1  o 68.91340 20.71023 143.9191       90.43804 63.53450       297.4574 152.1065       94.93211 84.53137 35.49216 70.76923 21.20727 13.76214       41.34539 
1 1 1 9   30 2  o 393.2597 8.888329 4553.569       204.9982 4426.099       382.5727 4604.910       242.7972 385.2893 16.97241 395.0181 10.48964 -9.728790      19.95233 
1 1 1 9   30 3  o 209.6333 10.00787 1298.269       122.6864 1077.917       309.6387 1339.305       133.6230 185.6386 29.42031 212.8098 10.74102 -27.17116      31.31971 
1 1 1 9   30 4  o 162.6752 11.15131 784.6381       105.7458 508.0589       281.0582 830.2462       114.1321 125.6533 36.18267 167.2656 11.70852 -41.61224      38.02992 
1 1 1 9   30 5  o 162.7760 19.22660 802.4150       180.0072 628.0627       275.1369 932.8945       238.0159 139.5392 33.94879 174.2766 23.91736 -34.73743      41.52783 
1 1 1 9   30 6  o 160.5997 11.16611 764.9861       104.5163 1076.027       284.0668 716.2876       112.4008 186.3420 26.75988 155.1592 12.45669 31.18280       29.51712 
1 1 1 9   30 7  o 205.4089 10.71404 1248.338       128.6231 0.000000       0.000000 1248.338       128.6231 ?        ?        205.4089 10.71404 0.000000       10.71404 
1 1 1 9   30 8  o 452.7483 9.031273 6038.386       239.8039 5941.134       403.2119 6091.612       298.2924 446.8890 15.40754 454.1825 11.19854 -7.293457      19.04729 
1 1 1 9   30 9  o 319.0534 10.89936 3009.043       203.6464 3113.811       323.9239 2940.571       261.8709 322.6761 17.17883 314.5131 14.23394 8.162994       22.30958 
1 1 1 9   30 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   30 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   30 12 o 456.6292 12.50337 6180.449       334.5280 6199.449       419.7962 6147.390       553.7303 455.9176 15.72360 451.0506 20.99013 4.867004       26.22627 
1 1 1 9   30 13 o 66.26550 29.53777 -65.45619      232.5207 -38.46362      263.1874 -161.4568      496.3409 72.44656 31.90069 92.60780 42.04755 -20.16124      52.77926 
1 1 1 9   30 14 o 195.6792 21.93916 1174.633       247.4462 1209.018       284.1755 1066.807       503.2220 197.2392 25.13684 173.6369 47.87403 23.60228       54.07202 
1 1 1 9   30 15 o 154.1616 27.38076 754.3270       238.4866 843.5947       272.1090 458.5822       495.2836 162.2312 29.69336 125.1115 48.05066 37.11971       56.48505 
1 1 1 9   30 16 o 250.9324 16.52585 1893.579       241.8504 2132.402       285.3475 1284.414       455.7260 265.5586 18.43605 193.9565 41.32879 71.60208       45.25436 
1 1 1 9   30 17 o 281.0826 14.24705 2360.848       234.0942 2518.991       272.5240 1915.721       457.2156 289.6245 16.10768 243.5121 32.85198 46.11246       36.58839 
1 1 1 9   30 18 o 215.0139 17.70753 1400.307       221.3157 1379.116       258.1508 1459.078       429.9077 211.9985 21.04035 209.5960 36.28717 2.402542       41.94586 
1 1 1 9   30 19 o 80.83262 31.51954 150.0583       215.5371 12.75294       246.3123 598.8349       445.3049 72.85254 31.48627 131.9949 46.40226 -59.14238      56.07633 
1 1 1 9   30 20 o 224.0359 17.58233 1524.582       229.1676 1186.258       260.2035 2694.448       483.8549 194.9206 23.21752 290.5440 28.77320 -95.62340      36.97229 
1 1 1 9   30 21 o 64.89872 28.39044 -11.24787      205.3859 -60.03888      231.1926 171.4302       447.3498 65.30177 29.25603 100.9957 43.01543 -35.69393      52.02156 
1 1 1 9   30 22 o 105.0287 31.44897 370.7287       208.8263 337.1365       243.9118 462.9509       404.1391 101.2478 34.40055 116.9199 43.74558 -15.67208      55.65136 
1 1 1 9   30 23 o 100.0216 30.53882 337.8918       195.5660 192.7804       222.4319 832.1025       410.4899 83.86491 32.20323 146.8412 44.12096 -62.97633      54.62331 
1 1 1 9   30 24 o 122.6564 26.43585 502.4703       184.5561 434.7960       205.6004 783.2118       418.7603 112.0320 30.48549 139.7371 44.98477 -27.70507      54.34146 
1 1 1 9   30 25 o 46.14228 22.40904 -281.3065      190.8370 -293.9327      212.8534 -229.5692      430.8695 49.24726 23.85798 77.30986 36.47014 -28.06260      43.58066 
1 1 1 9   30 26 o 52.83179 24.86973 -159.9623      198.4436 -183.9266      218.8038 -48.87514      471.0907 54.77008 25.88311 86.23232 39.82193 -31.46224      47.49443 
1 1 1 9   30 27 o 80.11385 30.76151 190.8594       202.9554 123.6147       222.6800 520.7834       493.2410 75.20166 31.06990 113.6503 46.52130 -38.44865      55.94256 
1 1 1 9   30 28 o 81.42958 30.97632 207.1218       204.5488 359.5228       226.4681 -467.8105      476.5882 99.10905 33.14670 72.09467 35.10365 27.01438       48.28012 
1 1 1 9   30 29 o 66.48465 28.17556 71.66223       190.2932 -5.456831      213.2950 372.4819       421.2627 63.27728 28.24242 100.6466 42.24655 -37.36932      50.81738 
1 1 1 9   30 30 o 113.6134 29.36179 472.1202       197.0455 563.4552       217.1732 46.76876       468.6639 123.7443 30.19563 85.43681 39.54772 38.30744       49.75740 
1 1 1 9   30 31 o 54.02133 24.69537 -55.95283      174.9498 -59.25927      187.2236 -33.18654      491.2771 55.60691 25.46788 82.89056 39.05371 -27.28365      46.62408 
1 1 1 9   30 32 o 74.30971 29.50933 167.1791       191.9675 244.3083       208.1880 -270.7288      496.0640 83.07441 31.33054 75.21786 36.43530 7.856552       48.05345 
1 1 1 9   30 33 o 117.0022 29.22034 514.4706       199.8952 466.1879       220.7544 734.3463       471.0883 108.3218 32.31096 115.8364 46.15289 -7.514511      56.33904 
1 1 1 9   30 34 o 58.14969 26.86087 -59.61131      214.5546 73.03534       254.3520 -386.8244      399.4867 70.11086 31.09319 64.06673 31.39607 6.044128       44.18710 
1 1 1 9   30 35 o 210.5306 18.82045 1450.268       229.9301 1575.881       263.7394 1052.385       469.3907 216.8200 21.00353 135.3431 47.63562 81.47687       52.06055 
1 1 1 9   30 36 o 46.98026 22.97940 -284.4255      210.9859 -143.1970      236.9055 -825.9626      463.9039 55.98391 26.59575 59.18118 29.76233 -3.197266      39.91404 
1 1 1 9   30 37 o 56.10807 26.69659 -146.9976      240.5864 -337.5212      294.5265 235.0641       417.0775 55.08596 26.98731 84.65351 38.47850 -29.56755      46.99904 
1 1 1 9   31 0  o 197.3309 10.28779 1151.823       118.6493 1553.345       320.8011 1088.194       127.7049 225.0563 24.71089 191.5934 11.41696 33.46288       27.22085 
1 1 1 9   31 1  o 165.7020 11.67204 815.3541       112.7036 880.9178       309.1791 805.3071       121.0313 165.7443 32.96747 164.4946 12.64263 1.249695       35.30850 
1 1 1 9   31 2  o 222.7922 10.16704 1467.201       132.4949 1103.989       301.6670 1554.013       147.4812 187.9675 28.23692 229.1476 11.00633 -41.18011      30.30615 
1 1 1 9   31 3  o 59.22493 20.64789 95.02763       88.05742 -313.4221      281.2768 139.4090       92.71815 61.17638 29.03852 68.07639 21.07190 -6.900017      35.87842 
1 1 1 9   31 4  o 172.2061 10.52727 878.4766       105.8119 1105.636       286.5331 842.6074       113.8599 188.6548 26.63781 168.4570 11.59547 20.19774       29.05215 
1 1 1 9   31 5  o 134.3766 13.35215 540.2250       103.8360 0.000000       0.000000 540.2250       103.8360 ?        ?        134.3766 13.35215 0.000000       13.35215 
1 1 1 9   31 6  o 98.73018 17.08928 298.7913       95.37070 0.000000       0.000000 298.7913       95.37070 ?        ?        98.73018 17.08928 0.000000       17.08928 
1 1 1 9   31 7  o 333.3919 8.864107 3277.508       173.1630 4003.986       356.9068 3053.849       198.0328 366.0175 16.67033 321.4411 10.51890 44.57635       19.71160 
1 1 1 9   31 8  o 329.9619 9.078007 3211.781       175.5060 3351.398       337.8876 3160.194       205.3859 334.4773 17.28345 326.9130 10.72695 7.564240       20.34171 
1 1 1 9   31 9  o 164.4012 13.71283 807.7339       131.0126 419.1546       272.4189 924.6482       149.4276 114.4794 36.22118 175.7545 14.62940 -61.27508      39.06396 
1 1 1 9   31 10 o 370.6142 11.07058 4065.488       240.3565 4278.306       361.3890 3896.675       321.8648 378.1548 16.33353 361.3388 15.22237 16.81601       22.32722 
1 1 1 9   31 11 o 357.0929 13.32883 3792.255       278.6511 3559.456       328.4558 4390.069       526.3444 344.7518 16.29109 378.5831 23.82684 -33.83136      28.86378 
1 1 1 9   31 12 o 312.8025 14.59203 2920.789       266.9550 2749.051       306.3377 3462.868       544.2491 302.3422 17.34916 332.9743 28.13296 -30.63214      33.05233 
1 1 1 9   31 13 o 172.1679 23.62234 921.0498       232.2384 764.9417       263.8409 1458.108       489.3730 153.9187 30.30720 206.8652 41.77729 -52.94641      51.61267 
1 1 1 9   31 14 o 181.6703 23.71724 1025.816       246.6684 940.3120       277.7305 1345.204       536.7729 171.6855 28.58765 194.0533 47.54480 -22.36777      55.47758 
1 1 1 9   31 15 o 93.37212 33.25451 254.8369       229.3228 122.1072       255.0762 814.3694       523.7191 82.73318 33.60903 150.4511 50.40781 -67.71794      60.58477 
1 1 1 9   31 16 o 188.7335 21.15764 1096.379       230.1625 1349.884       268.6032 395.9437       446.4798 209.1420 22.23937 117.2721 45.46665 91.86993       50.61428 
1 1 1 9   31 17 o 123.1300 30.12860 498.3578       215.7596 708.3885       249.4905 -124.6720      429.7016 147.4014 29.88444 86.04167 39.08867 61.35977       49.20370 
1 1 1 9   31 18 o 218.9980 18.94341 1465.021       240.9137 1382.881       277.7538 1714.519       484.0797 210.8474 22.82516 224.5826 38.11391 -13.73526      44.42587 
1 1 1 9   31 19 o 91.68819 32.21253 256.8671       214.5762 312.1394       243.6577 65.89594       452.9083 99.25469 34.36123 95.93082 42.05728 3.323868       54.30938 
1 1 1 9   31 20 o 46.58638 22.76192 -350.4398      205.3574 -524.4678      234.8858 214.1160       423.0588 45.76383 22.72773 100.9837 42.35896 -55.21985      48.07110 
1 1 1 9   31 21 o 103.5489 30.93180 362.9968       202.1989 206.7417       235.7163 798.2392       393.4033 86.46192 33.16352 145.2294 43.08775 -58.76746      54.37254 
1 1 1 9   31 22 o 142.1658 24.70840 658.6559       198.5376 761.9756       227.2743 325.8321       407.9114 152.0955 26.43824 104.4857 42.48081 47.60976       50.03598 
1 1 1 9   31 23 o 60.26984 26.84542 -28.15709      191.6988 22.73298       214.2246 -232.6825      429.4637 67.12168 29.18462 77.40202 36.48207 -10.28034      46.71920 
1 1 1 9   31 24 o 207.7235 17.21243 1337.844       207.8094 1177.319       232.8256 1966.733       460.8355 192.2884 20.98581 234.9070 34.47558 -42.61858      40.36050 
1 1 1 9   31 25 o 98.57549 30.80557 343.8327       197.6396 296.6097       222.1534 523.0813       432.8170 92.73541 32.75966 114.2900 44.63668 -21.55463      55.36812 
1 1 1 9   31 26 f 110.0844 30.82052 436.5599       206.8241 586.9033       234.1883 -96.34940      440.9099 127.4589 31.50978 81.24229 37.86187 46.21664       49.25838 
1 1 1 9   31 27 o 94.09595 31.74856 318.5528       207.7344 313.8127       229.0774 340.4936       492.8517 93.53729 33.24470 101.6337 44.22773 -8.096413      55.32904 
1 1 1 9   31 28 o 94.75194 31.33518 329.9085       202.5164 358.5272       223.1503 196.2737       482.2064 97.78971 32.90525 92.89001 41.88004 4.899704       53.26061 
1 1 1 9   31 29 o 46.08533 22.40342 -263.6223      192.0019 -241.8813      215.8230 -346.1223      420.4215 50.59785 24.39211 69.08333 33.48244 -18.48547      41.42522 
1 1 1 9   31 30 o 91.24389 30.27361 308.8748       188.9841 312.2004       203.4904 288.0126       509.6647 91.35919 31.41139 95.22226 42.98236 -3.863068      53.23681 
1 1 1 9   31 31 o 57.60399 26.33484 -46.54192      198.9917 -103.9797      212.3024 368.9039       570.9703 56.03864 26.16790 97.87156 44.69252 -41.83292      51.78978 
1 1 1 9   31 32 o 59.54150 26.63439 2.891506       190.8225 -34.77224      207.0662 215.0875       491.4915 59.02757 26.93921 89.15134 40.99081 -30.12378      49.05066 
1 1 1 9   31 33 o 128.8353 29.34704 627.9725       216.7715 778.9276       252.5256 205.2284       422.5910 141.9098 31.19392 85.57640 38.83254 56.33342       49.80991 
1 1 1 9   31 34 o 99.53500 31.20713 396.5349       202.6563 493.3994       234.9135 114.6899       400.7106 108.8059 33.51706 80.24227 36.93731 28.56363       49.87743 
1 1 1 9   31 35 o 145.1004 27.30938 779.1450       223.8714 962.1801       258.2463 225.6204       449.0919 160.0559 28.55912 85.28976 39.20342 74.76610       48.50290 
1 1 1 9   31 36 o 50.25861 24.64244 -322.0066      247.1110 -194.8295      297.5596 -604.6310      443.5825 60.03923 28.86642 61.38249 30.60607 -1.343258      42.07139 
1 1 1 9   32 0  o 216.3916 10.48584 1386.100       132.6782 1469.004       346.7382 1371.879       143.6075 216.8895 27.90504 215.0873 11.42543 1.802216       30.15347 
1 1 1 9   32 1  o 196.4956 10.89267 1144.394       125.0360 858.3649       306.2065 1201.630       136.9761 162.8514 33.18814 201.2106 11.65754 -38.35924      35.17599 
1 1 1 9   32 2  o 249.2864 9.888500 1836.829       144.2836 1889.823       320.7877 1823.390       161.5465 248.9707 22.20213 248.1096 11.13040 0.8610992      24.83587 
1 1 1 9   32 3  o 346.5162 9.354862 3544.004       189.9389 4176.774       381.8180 3335.921       218.9530 373.2502 17.49103 335.7260 11.13568 37.52426       20.73498 
1 1 1 9   32 4  o 114.3817 14.63382 395.2250       95.92129 950.2213       295.5267 329.8708       101.4118 172.6508 30.29031 103.7149 17.28004 68.93586       34.87267 
1 1 1 9   32 5  o 123.0311 13.73576 455.0016       97.42130 584.3255       283.1736 437.6400       103.7548 133.0484 35.59483 120.3412 15.02749 12.70721       38.63699 
1 1 1 9   32 6  o 185.1254 11.36834 1017.891       122.8328 0.000000       0.000000 1017.891       122.8328 ?        ?        185.1254 11.36834 0.000000       11.36834 
1 1 1 9   32 7  f 210.5257 11.45670 1315.844       140.9209 0.000000       0.000000 1315.844       140.9209 ?        ?        210.5257 11.45670 0.000000       11.45670 
1 1 1 9   32 8  o 342.2194 9.176140 3458.211       184.0022 3478.218       338.2510 3449.802       219.2859 340.3622 16.99903 341.2960 10.96967 -0.9338379     20.23118 
1 1 1 9   32 9  o 382.6666 10.98421 4336.960       246.2579 4816.608       372.8829 3965.943       327.9504 401.1497 15.88088 364.1774 15.38951 36.97223       22.11423 
1 1 1 9   32 10 o 166.8226 12.91253 831.4537       125.3502 958.4636       265.8329 795.1389       142.1452 174.2545 26.87514 162.5681 15.08085 11.68636       30.81729 
1 1 1 9   32 11 o 96.90563 18.64976 291.8909       102.1452 507.7514       253.5940 250.0874       111.5985 123.8178 33.92469 88.98586 21.60361 34.83195       40.21941 
1 1 1 9   32 12 o 171.2783 29.13049 940.3743       282.1508 940.3743       282.1508 0.000000       0.000000 171.2783 29.13049 ?        ?        0.000000       29.13049 
1 1 1 9   32 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   32 14 o 88.51260 32.82490 214.1289       226.5705 224.1195       261.0015 183.5790       456.4070 92.16254 35.00682 104.1133 43.85369 -11.95071      56.11260 
1 1 1 9   32 15 o 248.5386 17.30991 1869.968       250.7358 2017.373       296.4758 1499.718       469.8724 256.9602 19.82632 209.0865 39.77094 47.87376       44.43884 
1 1 1 9   32 16 o 270.5326 16.84788 2214.168       265.9834 2172.528       307.2057 2338.846       531.5803 266.4201 19.80289 265.3395 35.01357 1.080597       40.22566 
1 1 1 9   32 17 o 109.8941 31.74481 403.5609       216.0226 578.5221       247.8377 -149.6867      440.7135 130.9685 32.43717 84.97420 38.97622 45.99426       50.70815 
1 1 1 9   32 18 o 206.8042 19.70794 1320.398       236.1426 1598.081       272.8089 490.6355       471.5859 227.0915 20.71133 121.0351 46.78124 106.0564       51.16096 
1 1 1 9   32 19 o 143.5213 25.93326 671.2610       210.2533 810.0916       242.0589 244.6530       424.3195 157.2176 27.23878 101.6754 42.51993 55.54227       50.49649 
1 1 1 9   32 20 o 101.6566 30.05621 351.7440       191.6933 490.3601       216.6540 -147.9921      411.3678 119.3301 30.76191 80.02389 37.04542 39.30621       48.15245 
1 1 1 9   32 21 o 94.67767 31.34508 304.0871       202.6279 449.1477       231.4997 -171.0929      418.9910 112.5081 32.96760 78.94028 36.82884 33.56786       49.42900 
1 1 1 9   32 22 o 202.9754 18.30223 1285.258       215.5323 1252.011       241.1542 1417.247       480.4991 198.4420 21.04126 188.3751 44.25013 10.06694       48.99805 
1 1 1 9   32 23 o 64.85162 27.97337 34.51673       193.6681 35.85407       211.1521 27.42984       486.0730 67.13646 29.08405 90.05169 41.16515 -22.91523      50.40289 
1 1 1 9   32 24 o 71.23244 29.26035 107.9070       195.9945 2.082983       213.7108 667.9589       491.6414 64.67039 28.59962 122.8267 47.68572 -58.15630      55.60455 
1 1 1 9   32 25 o 100.6071 31.02655 365.7081       201.2311 437.5632       226.2968 94.18699       439.8975 108.7479 32.77797 88.52217 39.94749 20.22574       51.67395 
1 1 1 9   32 26 o 162.3261 22.13136 865.4472       205.2099 902.9204       234.2052 741.5912       425.7888 163.3311 25.26464 127.1876 45.31152 36.14355       51.87905 
1 1 1 9   32 27 o 113.5827 29.22903 470.0255       195.8335 465.8523       213.5917 492.0381       490.5511 111.4382 31.36404 106.6932 45.22774 4.745026       55.03864 
1 1 1 9   32 28 o 83.41853 30.59193 242.4824       195.8604 313.8071       216.0754 -86.08948      463.7678 91.80377 32.31901 79.93319 37.74683 11.87058       49.69247 
1 1 1 9   32 29 o 61.87511 27.16864 28.25434       189.6587 -71.85725      204.7155 634.6954       503.8517 57.06623 26.31657 111.5046 46.45957 -54.43838      53.39526 
1 1 1 9   32 30 o 68.01332 28.72896 99.42618       196.7696 33.71779       217.2563 399.3677       464.1734 64.91907 28.76644 97.61461 42.69177 -32.69554      51.47907 
1 1 1 9   32 31 o 133.0271 27.16444 642.2440       204.7551 707.0493       225.2656 334.1995       491.1299 138.1753 28.73575 93.64797 42.23979 44.52729       51.08761 
1 1 1 9   32 32 o 81.31230 31.39202 241.0630       212.1742 298.9847       251.1928 96.84164       396.3705 87.35098 34.03672 79.68955 36.70238 7.661430       50.05560 
1 1 1 9   32 33 o 72.34583 29.85549 154.8893       205.2928 156.3716       234.0622 149.9469       427.3973 74.10677 31.31961 82.51517 38.04268 -8.408401      49.27640 
1 1 1 9   32 34 o 65.40645 28.50621 77.07008       205.4030 168.0632       247.6376 -123.5690      367.7225 75.09193 31.99422 68.31437 32.64302 6.777565       45.70773 
1 1 1 9   32 35 o 69.30722 30.44967 97.55818       238.5480 238.4915       295.6831 -165.1860      403.7256 81.61331 34.87198 69.12919 33.33458 12.48412       48.24157 
1 1 1 9   33 0  o 98.12395 17.53511 297.0636       97.20619 637.3799       316.5810 261.6388       102.1402 137.6266 37.98222 91.47603 19.62673 46.15056       42.75344 
1 1 1 9   33 1  o 323.3010 9.492961 3088.731       179.7996 2827.057       332.2019 3197.143       213.8254 305.9585 18.60142 328.4655 11.11592 -22.50705      21.66971 
1 1 1 9   33 2  o 61.14415 21.48349 101.8278       95.44391 -277.9934      276.7496 153.1016       101.6822 61.48721 29.07303 70.94923 22.08437 -9.462021      36.50973 
1 1 1 9   33 3  o 114.3929 16.10635 398.5578       105.0677 28.96467       277.9204 460.1890       113.4903 78.50289 33.68123 123.0657 16.11078 -44.56281      37.33608 
1 1 1 9   33 4  o 79.20995 20.04490 196.9131       93.18068 204.5627       281.3959 195.9710       98.75201 92.59028 36.04004 79.00243 20.96770 13.58785       41.69567 
1 1 1 9   33 5  o 237.8108 9.852787 1673.882       137.1196 2162.313       316.3698 1560.909       152.1532 266.5060 20.39624 229.2811 11.35049 37.22491       23.34181 
1 1 1 9   33 6  o 175.3481 12.10308 916.3724       123.7015 0.000000       0.000000 916.3724       123.7015 ?        ?        175.3481 12.10308 0.000000       12.10308 
1 1 1 9   33 7  o 329.9992 9.275983 3218.216       179.3462 3070.318       331.5643 3279.385       213.2330 319.0346 17.79111 332.6208 10.94577 -13.58615      20.88860 
1 1 1 9   33 8  o 211.9118 11.38970 1334.693       141.0325 1576.006       299.3675 1265.860       159.8865 225.9659 22.90582 205.8519 13.31504 20.11404       26.49466 
1 1 1 9   33 9  o 66.76550 21.98600 131.6134       99.73394 233.4829       274.0957 116.0678       107.0737 94.23901 35.85566 64.80616 22.75596 29.43285       42.46719 
1 1 1 9   33 10 o 265.0297 19.44499 2137.054       300.1367 2137.054       300.1367 0.000000       0.000000 265.0297 19.44499 ?        ?        0.000000       19.44499 
1 1 1 9   33 11 o 172.5902 12.65689 890.4193       127.2223 806.9465       269.9470 914.2533       144.2462 157.4647 30.33123 174.4676 14.22063 -17.00294      33.49940 
1 1 1 9   33 12 o 257.1165 15.69483 1989.561       235.5392 1955.531       280.9169 2070.120       432.2182 253.3802 19.04339 254.3570 29.52175 -0.9768066     35.13096 
1 1 1 9   33 13 o 154.0753 26.21169 758.9146       228.3789 559.6595       261.7616 1394.069       467.3485 128.6816 34.13031 199.6788 41.27271 -70.99721      53.55665 
1 1 1 9   33 14 o 139.1946 30.07024 640.0289       238.2934 650.6616       273.2408 606.2554       486.9817 138.5157 33.91244 131.2746 48.22213 7.241135       58.95275 
1 1 1 9   33 15 o 112.4679 33.59405 427.6468       238.5079 474.2014       274.1712 282.8028       483.6054 117.5711 36.20818 109.1854 45.50673 8.385757       58.15406 
1 1 1 9   33 16 o 61.40470 28.21522 -121.9491      232.3553 -23.71185      262.8361 -473.3321      497.0927 71.44196 31.64946 78.33210 37.56959 -6.890144      49.12395 
1 1 1 9   33 17 o 89.27097 32.56043 242.7923       221.4219 426.9774       256.1572 -301.5585      440.3711 110.8652 35.12917 77.68365 36.71399 33.18157       50.81314 
1 1 1 9   33 18 o 56.63744 26.04834 -105.1923      198.6610 -149.9567      226.5894 43.56141       413.0544 58.42791 27.20026 88.68528 39.46009 -30.25737      47.92654 
1 1 1 9   33 19 o 191.8085 18.52476 1145.616       205.7972 1214.313       240.8138 959.5743       396.2951 195.7231 21.32359 157.1815 42.13403 38.54167       47.22257 
1 1 1 9   33 20 o 168.3027 21.03747 903.0363       203.1287 1074.948       235.0131 395.2789       403.8937 182.8759 22.37786 106.8019 42.67430 76.07405       48.18573 
1 1 1 9   33 21 o 97.49625 30.50926 333.0182       193.7884 393.0074       213.2660 48.87233       464.1469 104.8582 31.86602 89.75647 40.71658 15.10170       51.70380 
1 1 1 9   33 22 o 79.95706 29.99452 196.0644       190.2564 178.7988       205.4945 299.7003       503.4586 79.06582 30.79190 102.0991 44.56126 -23.03324      54.16500 
1 1 1 9   33 23 o 76.67313 30.04780 164.7175       196.6878 60.97609       215.8017 673.7486       478.0254 69.09698 29.66312 122.5978 47.17488 -53.50078      55.72585 
1 1 1 9   33 24 f 68.23666 28.95005 74.85674       201.2736 -0.1432124     219.3268 474.9962       506.6019 64.64352 28.75901 108.5896 45.99358 -43.94604      54.24472 
1 1 1 9   33 25 o 83.52831 31.15204 234.9905       204.6142 136.0578       223.9461 734.9388       503.4266 75.00281 31.08866 121.8146 47.97126 -46.81181      57.16420 
1 1 1 9   33 26 o 47.06483 22.81134 -251.8436      195.1730 -367.6598      218.3015 209.4872       435.6906 46.32343 22.80210 90.59002 40.40326 -44.26659      46.39353 
1 1 1 9   33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   33 28 o 82.17774 29.60723 239.9753       182.3389 283.0936       197.9048 -2.229975      469.0485 87.47263 30.91834 81.85458 38.43864 5.618042       49.33025 
1 1 1 9   33 29 o 65.76253 28.16316 78.27833       193.6554 163.8282       212.4515 -342.0331      470.9077 74.69276 30.54817 71.04648 34.65974 3.646286       46.20052 
1 1 1 9   33 30 o 76.09007 30.15496 190.4348       200.0745 310.0219       225.1086 -259.3029      436.5454 88.93584 32.76598 70.27886 34.07523 18.65698       47.27293 
1 1 1 9   33 31 o 56.29426 26.36414 -98.77444      218.1179 59.42216       250.3642 -596.9774      444.3006 68.66569 30.62613 62.47408 31.06540 6.191612       43.62361 
1 1 1 9   33 32 o 74.06632 29.96489 177.2112       201.8054 89.29778       235.2925 421.8158       392.4758 69.03690 30.28883 95.03794 40.37762 -26.00105      50.47539 
1 1 1 9   33 33 o 71.72059 30.43021 143.0234       222.4068 118.9078       246.5996 248.1539       514.8828 71.40681 31.17582 87.13887 40.71062 -15.73206      51.27657 
1 1 1 9   33 34 f 174.6415 24.97763 1092.347       248.5515 1349.039       304.0203 574.9703       431.6187 189.8574 28.15574 101.6574 42.72247 88.19994       51.16595 
1 1 1 9   34 0  o 53.63189 21.09632 53.92447       97.26357 -269.1037      293.5558 93.75916       103.0864 64.01749 30.17000 60.67911 22.20344 3.338375       37.45961 
1 1 1 9   34 1  o 132.5844 14.19629 529.9464       108.6705 654.6970       277.0425 507.2617       118.1384 140.1369 34.04882 129.2288 15.92408 10.90816       37.58854 
1 1 1 9   34 2  o 225.1499 10.49006 1503.600       138.1353 1182.907       278.7305 1608.008       159.0398 194.3899 25.02917 232.5341 11.69947 -38.14418      27.62855 
1 1 1 9   34 3  o 141.6967 13.85763 603.8373       113.6889 795.5299       276.8818 564.9650       124.6843 156.0223 31.34823 136.4814 15.87295 19.54086       35.13775 
1 1 1 9   34 4  o 125.6909 14.54937 477.6314       105.2720 -51.61099      268.9621 573.3760       114.3987 71.72016 31.88088 137.9076 14.35414 -66.18740      34.96329 
1 1 1 9   34 5  o 113.1346 15.28858 389.4311       98.84711 186.4869       267.1037 421.6351       106.4012 89.24341 35.00337 117.6510 15.82122 -28.40755      38.41285 
1 1 1 9   34 6  o 248.1883 9.635842 1823.773       139.9895 1670.707       289.2993 1870.571       159.9647 233.1618 21.39456 251.0249 10.89160 -17.86308      24.00738 
1 1 1 9   34 7  f 205.7432 18.07857 1286.738       215.9265 1513.447       313.3170 1081.666       297.9914 220.0589 24.70300 183.7187 28.58608 36.34016       37.78098 
1 1 1 9   34 8  o 141.5579 15.06059 606.2501       123.1164 546.8198       294.0457 618.8834       135.5720 126.7174 37.16176 142.6068 16.51478 -15.88942      40.66613 
1 1 1 9   34 9  f 376.3776 11.20910 4207.722       247.1501 4721.194       386.4215 3852.270       321.5090 395.6683 16.68999 358.1171 15.34353 37.55121       22.67112 
1 1 1 9   34 10 o 210.6826 12.11412 1324.814       149.0515 1785.980       315.8821 1192.726       169.0550 239.7758 22.73467 199.0783 14.58062 40.69748       27.00852 
1 1 1 9   34 11 o 211.5870 12.05196 1336.772       148.9352 1588.418       284.6433 1241.906       174.7678 226.3659 21.70639 202.9958 14.78121 23.37009       26.26122 
1 1 1 9   34 12 o 81.14037 31.62548 159.4693       216.9112 53.23145       253.1929 452.5323       420.5255 75.90802 32.34680 117.6461 44.49279 -41.73809      55.00840 
1 1 1 9   34 13 f 240.9809 19.50661 1788.258       273.3314 1788.258       273.3314 0.000000       0.000000 240.9809 19.50661 ?        ?        0.000000       19.50661 
1 1 1 9   34 14 o 78.60155 30.86587 149.0972       207.9008 254.2293       236.4493 -209.1145      436.4559 91.53815 33.60552 80.91261 37.69549 10.62554       50.50031 
1 1 1 9   34 15 o 73.38176 30.48395 88.35162       215.9875 133.2544       252.2723 -34.93586      418.0157 80.87712 33.20652 85.77657 38.80269 -4.899445      51.07173 
1 1 1 9   34 16 o 86.59205 32.42692 224.5252       222.1624 356.8930       253.5421 -213.1346      461.0280 101.9369 35.06176 81.59184 38.24944 20.34506       51.88783 
1 1 1 9   34 17 o 305.1194 14.13090 2822.697       252.1791 3068.844       303.9197 2278.658       451.8310 316.3563 16.43705 259.3880 30.26962 56.96829       34.44454 
1 1 1 9   34 18 o 97.61491 32.19068 332.2188       213.7744 412.4301       243.9126 66.47611       443.9633 106.9041 34.32420 89.93304 40.39655 16.97105       53.00974 
1 1 1 9   34 19 o 83.57533 30.39418 223.1513       192.7400 301.1376       220.7750 -26.75060      395.2077 93.50520 32.68762 81.56672 37.22242 11.93848       49.53775 
1 1 1 9   34 20 f 74.30054 29.80631 137.4237       197.8464 15.87999       224.6152 558.1226       417.8868 67.02892 29.49444 116.4614 44.28170 -49.43250      53.20518 
1 1 1 9   34 21 o 115.1538 30.13060 474.5478       205.7966 496.5376       227.8541 377.1830       479.4544 116.3954 32.26166 104.5558 44.53198 11.83958       54.99011 
1 1 1 9   34 22 o 74.60487 30.00486 144.4085       201.0332 128.6245       221.5533 217.9712       478.2984 74.86343 30.96648 95.43089 42.46189 -20.56747      52.55411 
1 1 1 9   34 23 o 89.40723 31.24425 284.6071       201.6979 255.7737       220.2214 434.6951       502.4401 86.46288 32.30397 105.1600 45.20505 -18.69715      55.56116 
1 1 1 9   34 24 o 102.1993 31.04618 391.1306       202.4597 432.2607       222.3644 191.7547       489.5778 106.3020 32.58469 92.08000 41.78902 14.22203       52.99136 
1 1 1 9   34 25 o 220.2938 18.15901 1547.750       232.5276 1579.060       259.4259 1419.820       524.4008 220.3513 20.30273 167.6994 49.74511 52.65193       53.72873 
1 1 1 9   34 26 o 69.36951 29.48771 96.59705       209.5108 -24.99809      235.1741 564.2935       461.2257 63.51423 28.87921 108.2350 44.71630 -44.72080      53.23116 
1 1 1 9   34 27 o 212.3143 18.15887 1449.875       223.9406 1342.237       254.6098 1817.667       470.6445 200.1720 22.05309 206.5900 40.29250 -6.418015      45.93282 
1 1 1 9   34 28 o 60.00643 27.26738 -22.20529      209.2530 -130.3291      232.7136 434.3964       478.2222 56.91576 26.83509 98.18223 43.12515 -41.26646      50.79272 
1 1 1 9   34 29 o 87.98620 30.88029 300.0984       197.1601 398.4917       217.2640 -158.9689      469.2923 99.09403 32.44061 74.71508 36.00593 24.37895       48.46463 
1 1 1 9   34 30 o 67.04795 29.11336 83.41225       212.5855 140.6578       240.5408 -120.8201      454.3394 73.38745 31.40728 74.54850 35.79749 -1.161049      47.62224 
1 1 1 9   34 31 o 63.79217 28.48700 37.35560       217.3013 284.3834       244.1701 -903.4026      476.4953 84.92977 33.42001 58.90202 29.69144 26.02775       44.70435 
1 1 1 9   34 32 o 65.28207 29.52646 30.69573       241.9175 116.6843       282.7773 -204.0367      467.2085 73.30508 32.63113 71.71199 34.88094 1.593094       47.76474 
1 1 1 9   34 33 o 77.98866 32.28837 214.1158       241.1714 249.4856       270.6731 77.87778       531.2245 81.51753 34.01543 81.57894 39.04975 -0.6140900E-01 51.78738 
1 1 1 9   35 0  o 37.47430 17.60663 -98.45786      98.62317 -229.4250      277.6089 -79.54111      105.5055 63.18564 29.63999 40.68735 18.80922 22.49829       35.10435 
1 1 1 9   35 1  o 153.9259 13.02524 710.9103       116.4812 667.5494       279.7216 720.0066       128.1178 140.6252 34.24123 154.5602 14.29583 -13.93494      37.10569 
1 1 1 9   35 2  o 181.2840 11.76195 980.5624       124.3765 1352.074       290.0618 896.8664       137.6756 207.7103 24.26806 172.8063 13.69655 34.90399       27.86636 
1 1 1 9   35 3  o 246.4351 10.13771 1801.762       146.2058 2614.578       314.9092 1578.411       165.0759 293.2419 18.40367 229.9949 12.28267 63.24698       22.12598 
1 1 1 9   35 4  o 134.8366 14.15217 549.3334       110.2474 867.1481       282.6834 492.3213       119.7283 162.4133 30.80436 126.8970 16.47637 35.51630       34.93393 
1 1 1 9   35 5  o 366.5687 16.36273 4054.704       350.8858 0.000000       0.000000 4054.704       350.8858 ?        ?        366.5687 16.36273 0.000000       16.36273 
1 1 1 9   35 6  o 186.0101 20.65441 1070.551       221.5260 1200.089       315.8061 945.0684       310.8235 192.5900 28.84667 168.3381 32.66187 24.25192       43.57669 
1 1 1 9   35 7  o 67.63228 21.83804 138.7123       98.63882 581.1033       294.3261 82.73840       104.6932 129.3778 36.95504 58.87839 22.21498 70.49937       43.11821 
1 1 1 9   35 8  o 170.0193 13.43132 869.5188       132.8396 749.8217       303.6350 897.8525       147.7277 147.4444 35.53405 172.3414 14.75768 -24.89705      38.47672 
1 1 1 9   35 9  o 161.4391 14.92125 789.8329       139.6767 0.000000       0.000000 789.8329       139.6767 ?        ?        161.4391 14.92125 0.000000       14.92125 
1 1 1 9   35 10 o 123.2600 16.08176 466.4104       113.4840 894.8181       265.5057 370.6484       125.5284 165.0706 28.45255 108.1372 20.54413 56.93339       35.09428 
1 1 1 9   35 11 o 38.78313 18.23913 -103.9213      106.2840 -11.41699      239.3491 -126.6418      118.6205 68.90565 30.37844 40.15558 19.00081 28.75006       35.83127 
1 1 1 9   35 12 o 209.6561 17.99741 1355.000       219.1541 1492.138       263.5725 1047.819       394.4734 218.3141 20.83834 168.3457 40.45824 49.96835       45.50940 
1 1 1 9   35 13 o 226.4962 16.65317 1572.737       219.6652 1828.516       262.3952 973.5604       401.6057 243.0616 18.54733 159.4614 42.26667 83.60014       46.15707 
1 1 1 9   35 14 o 200.1313 18.70689 1247.873       217.0229 1546.513       256.0287 485.5786       409.0495 222.1463 19.86094 114.6368 43.75738 107.5095       48.05377 
1 1 1 9   35 15 o 53.63851 25.20359 -160.4373      202.1803 -167.1011      239.5633 -143.9420      376.9093 58.88671 27.59482 75.68588 35.18245 -16.79918      44.71329 
1 1 1 9   35 16 o 47.47795 23.15747 -324.7006      209.9290 -328.3154      241.7830 -313.6291      423.1418 52.17215 25.31089 73.38215 35.05144 -21.21000      43.23476 
1 1 1 9   35 17 o 51.39016 24.30986 -172.4143      193.9085 -307.1147      221.8082 264.2693       399.3710 49.85678 24.20048 96.79800 40.91030 -46.94122      47.53226 
1 1 1 9   35 18 o 163.5553 23.00553 875.4145       214.5815 796.3223       242.8601 1156.945       458.1971 152.0137 28.28156 164.1653 45.84197 -12.15157      53.86402 
1 1 1 9   35 19 o 123.1188 28.63584 532.3937       202.8526 660.8825       237.2003 182.5897       391.3766 136.1556 30.46736 90.49338 39.39573 45.66222       49.80245 
1 1 1 9   35 20 o 49.58958 23.56331 -174.9934      186.1676 -182.7103      213.7616 -150.7578      378.8221 53.49997 25.37145 73.48334 34.51914 -19.98337      42.84019 
1 1 1 9   35 21 o 61.41167 27.23572 0.6723023      195.1649 -40.72023      221.6788 143.3245       411.5307 62.03168 28.13933 87.82460 39.21194 -25.79292      48.26384 
1 1 1 9   35 22 o 163.6309 21.57112 881.7664       201.9716 983.3195       227.1167 497.8170       441.6104 171.5186 23.17013 106.9010 43.91778 64.61761       49.65508 
1 1 1 9   35 23 o 109.1176 30.00895 442.9262       198.0081 364.8440       217.5802 819.2993       477.6971 97.76619 32.48483 126.0441 47.47564 -28.27795      57.52566 
1 1 1 9   35 24 o 109.8786 31.38360 461.7320       212.2751 439.0396       231.9828 578.5222       526.2827 105.5076 33.43033 108.4615 46.43794 -2.953873      57.21949 
1 1 1 9   35 25 o 63.52425 28.22545 20.86508       210.5904 101.8548       231.8844 -360.3427      503.0803 71.42962 30.70778 73.32628 35.78336 -1.896660      47.15312 
1 1 1 9   35 26 o 109.3369 31.73071 470.2839       215.3718 510.0729       239.9298 305.2215       488.6823 111.9486 33.75266 92.89721 41.99587 19.05139       53.87852 
1 1 1 9   35 27 o 62.64613 27.86683 26.06843       205.8626 50.48975       235.2646 -53.72813      425.2694 67.17464 29.84113 75.89225 35.93032 -8.717606      46.70633 
1 1 1 9   35 28 o 46.15863 22.77977 -364.0703      222.6856 -286.1009      250.7815 -654.7231      484.1954 52.36343 25.48906 64.13383 31.97769 -11.77040      40.89334 
1 1 1 9   35 29 o 66.76691 28.94802 85.03519       209.5349 53.59184       232.1306 223.3671       486.8881 66.46909 29.57793 86.95296 40.27040 -20.48386      49.96558 
1 1 1 9   35 30 o 127.7432 28.25088 618.5921       206.0278 447.4087       234.0238 1208.404       434.3962 102.1594 33.68041 150.6528 45.41468 -48.49339      56.54081 
1 1 1 9   35 31 o 78.37599 32.05346 220.0921       233.8948 22.03548       279.6954 680.7112       426.5419 67.68629 31.04790 108.3964 43.66700 -40.71010      53.57965 
1 1 1 9   35 32 o 86.67300 33.05158 313.0936       233.2327 377.8426       277.2039 156.1650       431.5526 91.72057 35.75095 80.76168 37.57734 10.95889       51.86701 
1 1 1 9   36 0  o 87.36567 20.62536 243.4842       103.9736 -202.7791      277.7698 316.1994       112.1250 63.85965 29.85665 100.0438 19.81113 -36.18418      35.83155 
1 1 1 9   36 1  o 56.35195 21.24553 75.88103       95.71385 -130.1560      276.4376 103.9457       102.0245 67.23211 30.84957 61.75418 22.15953 5.477932       37.98343 
1 1 1 9   36 2  o 49.29076 20.25922 30.00178       94.02877 -50.02689      267.6042 41.27404       100.4328 70.52142 31.54382 52.08115 21.11407 18.44027       37.95809 
1 1 1 9   36 3  o 86.21240 20.79538 237.6256       103.9205 378.1840       268.8975 212.9459       112.6751 106.3443 36.11972 81.47343 22.72603 24.87085       42.67443 
1 1 1 9   36 4  f 121.9161 15.59298 455.2130       108.9425 701.3259       300.4973 417.9699       116.8951 141.3333 36.12156 116.0275 17.74121 25.30577       40.24323 
1 1 1 9   36 5  o 122.3775 15.29348 458.2473       107.3741 617.2527       281.6711 431.2127       116.1440 132.5726 35.51487 117.9843 17.29866 14.58831       39.50379 
1 1 1 9   36 6  o 198.7157 10.90100 1179.004       126.5559 1241.356       290.4223 1164.388       140.6083 196.2341 25.86420 197.0235 12.22893 -0.7893524     28.60950 
1 1 1 9   36 7  o 104.2237 17.94167 340.3755       105.7122 289.2117       267.4048 349.8527       115.0871 96.19421 35.66287 105.1804 19.37052 -8.986206      40.58395 
1 1 1 9   36 8  o 76.68741 21.75312 189.2224       102.3345 602.3729       259.6025 113.2109       111.3511 130.9550 33.62902 63.91235 23.12217 67.04263       40.81110 
1 1 1 9   36 9  o 273.3660 10.98712 2233.267       175.7896 2309.069       305.2767 2195.663       215.0162 272.8130 19.20265 269.6884 13.63862 3.124603       23.55322 
1 1 1 9   36 10 o 175.8809 12.52936 933.1788       128.3940 825.9950       246.0051 973.3058       150.5211 157.3139 27.67404 178.8179 14.47646 -21.50398      31.23173 
1 1 1 9   36 11 o 67.56118 25.24465 124.4015       134.4961 0.000000       0.000000 124.4015       134.4961 ?        ?        67.56118 25.24465 0.000000       25.24465 
1 1 1 9   36 12 o 64.82772 29.07791 -34.94085      229.1215 -34.94085      229.1215 0.000000       0.000000 64.82772 29.07791 ?        ?        0.000000       29.07791 
1 1 1 9   36 13 o 203.7554 17.86394 1293.563       211.3125 1432.080       250.9655 956.1418       391.6962 212.6238 20.37473 154.9100 42.04675 57.71381       46.72322 
1 1 1 9   36 14 o 103.6096 33.00822 387.1115       225.9020 387.1115       225.9020 0.000000       0.000000 103.6096 33.00822 ?        ?        0.000000       33.00822 
1 1 1 9   36 15 o 46.10475 22.54246 -324.1009      202.4590 -552.7869      232.2649 399.3338       413.1079 43.69352 21.84154 105.2343 42.76336 -61.54078      48.01830 
1 1 1 9   36 16 o 69.54279 29.11517 87.15647       199.2902 -0.6728808     225.0857 405.8080       428.7322 65.74550 29.19836 105.2698 43.26286 -39.52433      52.19405 
1 1 1 9   36 17 o 107.7848 30.48257 419.6455       201.2534 456.6149       229.1394 294.8849       420.9375 110.9419 32.87618 97.77885 41.68837 13.16305       53.09203 
1 1 1 9   36 18 o 195.1497 19.29996 1214.328       217.9998 1293.340       252.6650 984.1848       431.2193 199.1276 22.00179 148.3129 45.36013 50.81468       50.41448 
1 1 1 9   36 19 o 78.87791 30.26234 194.5762       196.3129 93.35960       228.9882 475.2703       381.3325 72.06891 30.73791 107.0161 41.86808 -34.94715      51.93992 
1 1 1 9   36 20 o 189.0973 18.45925 1142.160       202.1114 1403.605       247.1392 614.2086       351.1945 207.7982 20.54784 118.1063 41.23118 89.69186       46.06760 
1 1 1 9   36 21 o 145.7887 23.14596 716.4619       191.2958 807.0945       223.2264 465.8853       371.1705 152.5244 25.87891 104.2795 41.15220 48.24490       48.61298 
1 1 1 9   36 22 o 64.03940 27.37525 64.05142       182.3649 159.7219       207.5556 -259.8737      381.9158 74.89895 30.35720 67.87244 32.65068 7.026505       44.58281 
1 1 1 9   36 23 o 82.67863 30.52962 243.3020       195.6172 343.1219       217.4022 -181.2218      448.3389 94.16866 32.46380 74.70080 35.78859 19.46786       48.31896 
1 1 1 9   36 24 o 78.88531 31.16315 207.7560       213.0483 268.7473       237.4753 -43.80084      482.2839 85.47343 33.15327 80.08356 38.01633 5.389870       50.44186 
1 1 1 9   36 25 o 60.88761 27.70333 -20.36406      216.8630 158.1369       240.5851 -793.9650      500.8492 75.43589 31.81048 63.39838 31.74796 12.03751       44.94263 
1 1 1 9   36 26 o 74.08829 30.82737 161.1784       221.3931 276.2289       251.4325 -235.8531      467.0781 85.15353 33.78599 72.31693 35.10621 12.83660       48.72309 
1 1 1 9   36 27 o 179.5148 22.44507 1104.017       231.1547 1130.853       269.3055 1028.914       450.5175 176.5603 26.85267 135.1306 46.72626 41.42969       53.89257 
1 1 1 9   36 28 o 85.00443 32.41491 285.5011       224.3321 324.7239       251.4480 132.5017       496.6197 88.62225 34.18473 83.32955 39.26207 5.292694       52.05868 
1 1 1 9   36 29 o 83.62183 32.78691 276.9687       234.2781 322.0327       274.1569 154.9811       451.0681 87.55672 35.09960 81.95786 38.22869 5.598854       51.89812 
1 1 1 9   36 30 o 49.55561 24.06522 -241.1300      219.9954 -268.4613      263.7141 -178.5788      398.9525 53.79590 26.17543 68.13857 32.92589 -14.34266      42.06266 
1 1 1 9   36 31 o 88.69601 32.76030 334.2393       225.2734 209.4490       264.7567 661.5537       428.7845 77.73119 33.09893 105.3397 43.27572 -27.60847      54.48235 
1 1 1 9   37 0  o 244.5878 10.25728 1784.400       146.8089 1538.011       280.4887 1877.367       172.2938 220.4448 21.98826 250.2235 11.77364 -29.77869      24.94197 
1 1 1 9   37 1  o 111.0837 17.12025 385.0067       107.9566 285.9254       252.4129 407.1889       119.4314 94.43246 34.71247 113.7416 18.54211 -19.30914      39.35435 
1 1 1 9   37 2  o 130.0215 13.92764 515.3024       104.5517 758.3323       255.2579 466.3111       114.6063 149.1003 30.22701 122.7505 16.32398 26.34979       34.35323 
1 1 1 9   37 3  o 103.5546 17.77874 337.3131       104.0866 412.0211       272.8204 324.5863       112.6039 107.8240 36.38381 100.7935 19.75555 7.030457       41.40125 
1 1 1 9   37 4  o 120.7271 15.46462 449.3932       106.9839 214.2063       263.6675 495.7444       117.0525 87.90729 34.68653 126.6254 16.12737 -38.71811      38.25241 
1 1 1 9   37 5  o 267.2304 11.45718 2140.996       179.1448 0.000000       0.000000 2140.996       179.1448 ?        ?        267.2304 11.45718 0.000000       11.45718 
1 1 1 9   37 6  o 241.8039 10.01082 1745.161       141.6587 1772.275       284.0553 1736.186       163.4321 237.0996 20.63307 240.4488 11.62393 -3.349182      23.68205 
1 1 1 9   37 7  o 180.2359 12.23236 980.3979       128.5350 1406.362       296.8103 882.0753       142.5999 207.5604 24.87790 169.9666 14.44220 37.59373       28.76608 
1 1 1 9   37 8  o 111.1834 17.27561 388.4472       108.9927 719.1324       257.8780 316.5281       120.2622 142.8558 31.61681 98.46692 21.43475 44.38890       38.19780 
1 1 1 9   37 9  o 67.11227 21.24169 142.8366       93.68204 425.0138       228.3952 85.75913       102.7208 108.5641 32.97382 58.09703 21.98579 50.46710       39.63139 
1 1 1 9   37 10 o 50.03838 20.52824 37.19284       96.31189 34.94261       226.8460 37.68766       106.3755 68.94105 30.00320 51.95171 21.47021 16.98934       36.89392 
1 1 1 9   37 11 o 141.2801 15.29747 616.9343       124.7312 605.2382       234.2187 621.5644       147.3661 130.2897 31.08722 140.2910 18.35035 -10.00134      36.09918 
1 1 1 9   37 12 o 65.82390 29.63512 -30.31179      240.4777 -30.31179      240.4777 0.000000       0.000000 65.82390 29.63512 ?        ?        0.000000       29.63512 
1 1 1 9   37 13 o 60.17914 29.92376 -749.8568      412.1785 0.000000       0.000000 -749.8568      412.1785 ?        ?        60.17914 29.92376 0.000000       29.92376 
1 1 1 9   37 14 o 97.23219 31.95256 341.3399       210.6915 391.1620       250.0887 219.5096       391.0759 102.4361 34.83300 92.28198 39.77767 10.15409       52.87344 
1 1 1 9   37 15 f 61.26271 27.31923 -12.64014      199.1205 11.12007       232.6491 -77.71531      385.0206 67.00132 29.72439 76.85986 35.67023 -9.858543      46.43172 
1 1 1 9   37 16 o 169.3006 22.13605 941.4431       214.5313 1102.388       258.4675 585.0109       384.6407 180.7812 25.05056 116.0183 42.81544 64.76291       49.60536 
1 1 1 9   37 17 o 127.3045 28.59257 579.9376       208.2435 695.7953       245.6978 284.4318       392.3934 137.4765 31.19174 93.91672 40.15165 43.55981       50.84367 
1 1 1 9   37 18 o 78.28312 30.80388 189.5928       207.4351 241.5269       243.4296 51.89300       396.3820 84.87637 33.37832 81.34557 37.18093 3.530792       49.96533 
1 1 1 9   37 19 o 200.7372 18.45372 1290.775       214.8221 1399.610       257.2084 1039.741       390.6306 205.9465 21.61695 153.4458 42.12953 52.50067       47.35176 
1 1 1 9   37 20 f 67.09339 28.76518 76.19340       202.4387 164.6933       238.4111 -152.5088      383.2571 77.20750 32.04630 71.48516 33.92149 5.722343       46.66511 
1 1 1 9   37 21 o 73.04331 29.30080 155.8786       191.1844 -69.60532      219.7880 856.9894       387.5606 58.92676 27.20797 134.0628 43.28712 -75.13605      51.12777 
1 1 1 9   37 22 o 59.28502 26.87493 -22.03555      201.7842 -10.63087      232.8135 -56.47044      404.5441 63.51920 28.82332 75.32072 35.47234 -11.80151      45.70635 
1 1 1 9   37 23 o 53.81101 25.27958 -114.9840      203.2242 -169.2417      231.2373 69.13549       425.9680 54.84508 26.11742 80.57662 37.43757 -25.73154      45.64747 
1 1 1 9   37 24 o 147.9759 25.53393 780.0558       213.5898 759.6791       239.8261 858.1994       469.6527 141.4427 29.85053 121.4462 46.75258 19.99654       55.46943 
1 1 1 9   37 25 f 132.9614 28.10271 659.5588       212.2732 654.7846       234.7556 680.9636       497.0748 128.8351 31.36738 107.8617 45.61626 20.97348       55.36024 
1 1 1 9   37 26 o 110.3579 31.70659 493.9626       216.0522 637.9761       240.2423 -115.0650      494.0449 125.3961 32.42792 76.14338 36.75617 49.25275       49.01619 
1 1 1 9   37 27 o 200.7307 20.84340 1363.040       241.8083 1353.556       296.0742 1382.037       419.0488 191.8393 27.06682 169.4485 42.30115 22.39081       50.21952 
1 1 1 9   37 28 o 76.20636 31.93200 193.1437       240.0263 290.1090       285.8907 -38.45812      441.8377 84.76191 35.12928 74.75072 35.73575 10.01118       50.11098 
1 1 1 9   37 29 o 103.0818 32.70551 453.1158       221.9677 278.5263       265.3499 860.0037       405.0860 83.41356 34.13042 122.7281 44.14086 -39.31449      55.79696 
1 1 1 9   38 0  o 117.6148 16.09171 431.0561       108.0903 228.4483       246.5660 479.2563       120.2623 86.90339 33.76135 123.6985 17.02869 -36.79512      37.81276 
1 1 1 9   38 1  o 250.3497 10.32117 1875.976       151.2148 1836.085       265.1396 1895.207       184.0891 242.0580 18.82479 250.4078 12.57540 -8.349823      22.63876 
1 1 1 9   38 2  o 103.1501 18.75807 340.1075       109.2982 683.8036       262.5254 268.0419       120.2121 137.6292 32.95996 89.83591 22.78583 47.79333       40.06936 
1 1 1 9   38 3  o 240.0906 10.37062 1726.330       145.6817 2119.638       287.6480 1590.643       168.9525 259.9142 19.00167 229.2996 12.61208 30.61461       22.80632 
1 1 1 9   38 4  o 64.66782 21.88794 128.6226       98.73666 -20.21594      266.0600 152.3945       106.3296 69.69517 31.29190 69.29372 22.69516 0.4014511      38.65557 
1 1 1 9   38 5  o 145.9376 12.91846 648.3929       109.4269 549.9130       267.5112 668.1825       119.9186 121.0170 35.43314 147.6930 14.01207 -26.67604      38.10309 
1 1 1 9   38 6  o 65.43086 22.89381 129.4941       108.3124 141.2659       274.0878 127.3156       117.9095 80.96973 34.03755 65.87388 23.79859 15.09585       41.53225 
1 1 1 9   38 7  o 155.3045 13.29033 736.0165       119.8891 920.9207       252.7351 682.3274       136.1869 164.6761 27.11150 148.2523 15.91202 16.42377       31.43606 
1 1 1 9   38 8  o 146.4438 14.08718 658.5817       119.4980 331.7531       247.1237 758.3253       136.5202 96.38741 34.49958 156.7515 15.03438 -60.36409      37.63314 
1 1 1 9   38 9  o 49.44642 20.21727 38.81775       93.02219 265.9723       250.0704 2.338139       100.2136 89.60243 34.21043 46.35986 20.06001 43.24258       39.65800 
1 1 1 9   38 10 o 55.53413 21.07533 78.56249       94.54810 51.78030       231.0279 83.95054       103.6232 69.90384 30.35171 57.57013 22.01174 12.33371       37.49324 
1 1 1 9   38 11 o 94.82491 21.52166 298.4888       116.9374 -64.13239      227.7375 428.3294       136.2741 61.78117 28.21727 114.3076 21.10497 -52.52641      35.23683 
1 1 1 9   38 12 o 107.7260 34.09799 440.7909       241.3965 440.7909       241.3965 0.000000       0.000000 107.7260 34.09799 ?        ?        0.000000       34.09799 
1 1 1 9   38 13 o 96.53087 34.36713 346.7536       244.9037 346.7536       244.9037 0.000000       0.000000 96.53087 34.36713 ?        ?        0.000000       34.36713 
1 1 1 9   38 14 o 140.7605 26.78972 690.1198       213.0794 693.7988       263.6573 683.1921       361.7942 135.1004 33.45398 124.6428 41.89812 10.45753       53.61549 
1 1 1 9   38 15 o 59.71829 28.42392 -201.7599      273.1911 -201.7599      273.1911 0.000000       0.000000 59.71829 28.42392 ?        ?        0.000000       28.42392 
1 1 1 9   38 16 o 149.0198 25.57895 769.0244       215.5029 827.8700       263.2448 649.4565       375.2408 149.4720 31.04557 118.7450 42.51083 30.72700       52.64027 
1 1 1 9   38 17 o 44.22396 21.81161 -357.3247      203.0850 -393.3964      243.6361 -275.1981      367.6209 48.85615 24.05660 66.21078 31.89760 -17.35463      39.95218 
1 1 1 9   38 18 o 91.34254 32.04957 316.6397       212.3641 350.4460       254.5705 239.2783       385.0984 94.45895 34.83667 88.65448 38.82656 5.804474       52.16412 
1 1 1 9   38 19 o 59.39186 27.18969 -46.01682      213.0893 9.612699       259.0631 -162.3854      374.6889 67.60162 30.56722 69.87794 33.26757 -2.276314      45.17838 
1 1 1 9   38 20 o 121.7951 30.00959 563.1716       212.9458 401.5056       245.4295 1055.517       428.3040 98.89577 34.47165 144.7840 45.36428 -45.88818      56.97555 
1 1 1 9   38 21 o 130.8455 28.73111 638.3876       214.4259 635.4596       243.1189 648.6421       454.9786 126.3194 32.59842 109.7210 44.76895 16.59838       55.37975 
1 1 1 9   38 22 f 52.11169 24.86697 -168.8746      211.8691 -233.9487      247.2415 10.99705       411.0536 53.89031 26.01112 76.89575 36.06996 -23.00544      44.47044 
1 1 1 9   38 23 o 49.90561 24.04390 -206.7188      208.9539 -158.9067      238.4677 -364.8062      433.6199 55.72562 26.53276 66.55688 32.63564 -10.83126      42.06034 
1 1 1 9   38 24 o 57.36506 26.47630 -50.84772      207.8251 -113.5287      234.3432 180.0413       449.7652 57.17253 26.94779 83.97899 38.82691 -26.80645      47.26217 
1 1 1 9   38 25 o 64.96989 28.75694 59.17870       216.5224 129.8625       249.1667 -158.8040      437.5634 72.27742 31.45006 71.39684 34.49596 0.8805847      46.68059 
1 1 1 9   38 26 o 77.77852 31.04534 220.4482       213.5374 218.6943       255.9750 224.4619       387.2333 78.75289 32.98586 82.76468 37.40240 -4.011787      49.86990 
1 1 1 9   38 27 o 102.3374 31.33306 433.2274       205.6854 323.8319       255.2144 635.9677       347.4367 87.41971 34.23698 110.1661 40.68568 -22.74638      53.17421 
1 1 1 9   38 28 o 76.30826 31.96117 202.7498       240.3102 195.2410       298.5270 216.5729       405.0444 77.69894 34.10221 81.79090 37.45994 -4.091965      50.65775 
1 1 1 9   39 0  o 138.2604 14.76784 591.1302       117.8952 432.9257       263.4376 630.7504       131.8338 106.6832 35.75105 142.1961 16.09085 -35.51288      39.20526 
1 1 1 9   39 1  o 195.9613 11.18375 1158.247       127.9974 1346.520       262.8281 1099.711       146.5504 203.2622 22.41980 189.8735 13.24352 13.38873       26.03916 
1 1 1 9   39 2  o 215.6494 11.04826 1401.114       139.2653 1733.386       291.2420 1302.617       158.5689 231.5034 21.70401 206.7679 13.14434 24.73558       25.37396 
1 1 1 9   39 3  f 79.86785 21.69774 212.1641       104.2517 388.3346       250.5744 175.2857       114.6454 101.9817 34.86294 73.14285 23.53671 28.83881       42.06425 
1 1 1 9   39 4  o 135.7994 13.34446 565.3704       104.9083 1137.702       254.8539 448.6037       115.1136 185.2645 24.02064 119.2377 16.93715 66.02679       29.39146 
1 1 1 9   39 5  o 73.97238 20.71034 180.3647       93.38863 144.0252       265.5271 185.4944       99.76258 79.63428 33.49051 74.86042 21.55701 4.773865       39.82862 
1 1 1 9   39 6  f 94.02694 19.11146 287.3585       101.7928 176.4617       239.8271 311.7266       112.4217 80.33366 32.60561 97.45875 20.32773 -17.12509      38.42321 
1 1 1 9   39 7  o 173.6719 12.39977 917.7935       125.4663 1294.372       247.6703 787.7895       145.5206 199.6215 21.49345 159.0377 15.81094 40.58380       26.68247 
1 1 1 9   39 8  o 58.91094 22.37245 92.03336       106.5898 -221.1236      233.1068 174.8186       119.8534 54.34513 25.97404 72.91811 24.10578 -18.57298      35.43642 
1 1 1 9   39 9  o 152.6484 13.48461 716.0089       119.4803 753.7090       242.5611 703.9310       137.2914 145.2071 29.49054 150.0715 15.83750 -4.864410      33.47414 
1 1 1 9   39 10 o 43.36429 19.14723 -13.09780      95.42953 -138.9279      236.4818 11.37863       104.2988 58.31924 27.35696 47.88102 20.58950 10.43822       34.23932 
1 1 1 9   39 11 o 176.6647 13.28323 958.4550       136.6192 794.9135       249.8159 1028.237       163.1836 148.2456 29.76845 181.5853 15.47022 -33.33974      33.54830 
1 1 1 9   39 12 o 84.31024 33.36938 236.5262       244.7071 236.5262       244.7071 0.000000       0.000000 84.31024 33.36938 ?        ?        0.000000       33.36938 
1 1 1 9   39 13 o 103.3885 34.63106 425.4649       247.1936 425.4649       247.1936 0.000000       0.000000 103.3885 34.63106 ?        ?        0.000000       34.63106 
1 1 1 9   39 14 o 54.99024 25.74964 -118.1675      207.9404 -127.3681      248.4854 -96.66998      379.8273 59.71128 28.02036 73.36930 34.49673 -13.65802      44.44283 
1 1 1 9   39 15 o 63.15937 27.98325 21.92856       205.5253 7.427404       248.5031 53.31965       365.6230 66.75073 30.08253 78.35666 35.77457 -11.60593      46.74162 
1 1 1 9   39 16 o 100.2967 35.06413 410.7755       254.0469 410.7755       254.0469 0.000000       0.000000 100.2967 35.06413 ?        ?        0.000000       35.06413 
1 1 1 9   39 17 o 89.28963 34.85235 305.6451       263.7421 305.6451       263.7421 0.000000       0.000000 89.28963 34.85235 ?        ?        0.000000       34.85235 
1 1 1 9   39 18 o 117.6003 43.23183 701.0802       391.5258 0.000000       0.000000 701.0802       391.5258 ?        ?        117.6003 43.23183 0.000000       43.23183 
1 1 1 9   39 19 o 143.5975 27.22923 750.2622       220.9261 789.8187       269.3808 668.9965       386.1104 140.6152 33.20042 114.4561 42.77188 26.15910       54.14519 
1 1 1 9   39 20 o 126.1948 30.46075 618.0750       222.8512 622.3161       266.1390 608.1246       407.6533 120.6311 35.34821 107.5628 42.90778 13.06826       55.59293 
1 1 1 9   39 21 o 109.4965 31.88214 486.5081       217.1097 772.5816       255.3117 -260.6652      412.6126 139.6479 31.87760 67.71994 32.90263 71.92792       45.81228 
1 1 1 9   39 22 o 56.45069 26.38317 -85.56470      216.5767 -125.5250      248.1583 42.14170       443.6297 58.10963 27.49220 78.56477 37.04505 -20.45514      46.13195 
1 1 1 9   39 23 o 82.10686 31.23093 260.8958       207.9127 234.7297       246.9089 324.6689       385.4660 80.15895 32.87501 88.34216 38.76299 -8.183205      50.82652 
1 1 1 9   39 24 o 57.01929 26.18481 -32.25897      199.7151 -7.481511      247.8413 -78.14166      337.2638 63.36721 29.12553 67.28790 31.89804 -3.920696      43.19469 
1 1 1 9   39 25 o 52.45670 24.86994 -126.6820      205.1242 -12.23198      260.0885 -315.0108      333.6350 64.06154 29.58546 59.03431 28.87990 5.027233       41.34426 
1 1 1 9   39 26 o 123.4086 29.29373 598.6564       208.8242 651.5298       266.2027 514.0638       336.7127 120.6445 35.35252 100.0033 39.27757 20.64120       52.84437 
1 1 1 9   40 0  o 195.5589 12.15709 1163.633       138.7410 1309.348       283.5095 1117.748       159.0927 196.5388 25.17346 190.2986 14.36088 6.240250       28.98169 
1 1 1 9   40 1  o 108.6024 19.51569 384.6897       119.7321 45.57623       295.3293 451.3913       130.9791 74.51333 33.24667 117.7533 19.65872 -43.23994      38.62391 
1 1 1 9   40 2  o 90.34541 21.41526 273.7108       111.7287 134.1101       296.5851 296.7989       120.6145 80.00918 34.56476 93.73000 22.27233 -13.72082      41.11909 
1 1 1 9   40 3  o 131.2048 17.30653 547.1969       129.9269 0.000000       0.000000 547.1969       129.9269 ?        ?        131.2048 17.30653 0.000000       17.30653 
1 1 1 9   40 4  o 156.0749 12.71080 745.8426       115.3409 856.6562       279.5786 723.1136       126.6184 151.5268 32.43915 152.8206 14.29329 -1.293777      35.44851 
1 1 1 9   40 5  o 110.7726 16.66630 390.3570       104.9219 548.1185       258.8575 359.3431       114.7726 117.7258 34.95737 104.8079 19.38599 12.91789       39.97292 
1 1 1 9   40 6  o 111.1736 18.67945 401.0632       117.4767 686.8387       248.5998 318.9000       133.2990 135.2697 31.86460 96.15862 23.77299 39.11104       39.75560 
1 1 1 9   40 7  o 62.52694 22.84310 117.0536       109.0461 268.2278       236.7392 76.34144       122.8552 87.00409 33.26941 58.34538 23.45935 28.65871       40.70866 
1 1 1 9   40 8  o 56.29183 22.29858 74.52691       109.3561 -49.07264      232.0042 109.8313       123.9943 61.99580 28.37765 62.76380 24.05816 -0.7680016     37.20330 
1 1 1 9   40 9  o 102.1021 19.78090 344.7346       114.1702 136.7667       237.1185 407.4994       130.2642 74.99911 31.60085 110.5686 20.85276 -35.56949      37.86095 
1 1 1 9   40 10 o 105.3549 19.41860 365.4847       115.5644 188.4765       247.3135 414.9309       130.7126 79.68987 32.81564 111.6048 20.73332 -31.91495      38.81670 
1 1 1 9   40 11 o 52.80809 22.02805 43.50596       113.4555 -85.87144      235.4982 82.61073       129.4712 60.10193 27.89436 59.67723 24.05189 0.4247017      36.83189 
1 1 1 9   40 12 o 61.49915 28.51501 -77.36783      245.1848 -77.36783      245.1848 0.000000       0.000000 61.49915 28.51501 ?        ?        0.000000       28.51501 
1 1 1 9   40 13 o 158.9162 28.27203 915.0612       253.8390 915.0612       253.8390 0.000000       0.000000 158.9162 28.27203 ?        ?        0.000000       28.27203 
1 1 1 9   40 14 o 88.66454 34.62918 300.1909       260.5026 300.1909       260.5026 0.000000       0.000000 88.66454 34.62918 ?        ?        0.000000       34.62918 
1 1 1 9   40 15 o 46.00689 22.63534 -339.7482      214.2661 -264.4231      260.3314 -497.9268      377.2509 54.62718 26.44533 59.74105 29.51383 -5.113869      39.62855 
1 1 1 9   40 16 o 60.98521 27.76230 -18.58407      218.1464 -29.56196      267.0699 3.422997       378.1347 65.32307 30.10058 75.10550 35.02229 -9.782425      46.18015 
1 1 1 9   40 17 o 133.2043 28.98996 668.1102       220.0264 824.6805       272.8817 377.1692       371.9821 143.5463 33.09170 93.39780 39.47837 50.14848       51.51313 
1 1 1 9   40 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   40 19 o 79.69926 31.52014 230.5947       218.1818 330.3112       249.0438 -98.60081      452.5005 89.43929 34.14209 74.58979 35.79315 14.84950       49.46546 
1 1 1 9   40 20 o 143.7666 44.94805 1096.999       420.7140 0.000000       0.000000 1096.999       420.7140 ?        ?        143.7666 44.94805 0.000000       44.94805 
1 1 1 9   40 21 o 80.15569 31.07962 243.5550       208.6411 351.0790       251.5283 6.385190       373.5630 90.48946 34.36699 73.05901 34.30683 17.43045       48.55974 
1 1 1 9   40 22 o 131.3531 27.54037 650.9227       205.3678 834.6218       260.4447 348.9338       333.9316 144.0191 31.69617 88.79977 37.46309 55.21931       49.07270 
1 1 1 9   40 23 o 64.58227 28.27068 75.30087       203.9537 179.5035       264.2090 -78.35518      320.8360 75.80418 32.68520 65.85208 31.18621 9.952103       45.17634 
1 1 1 9   40 24 o 58.60638 26.66887 -4.629092      201.0520 -176.8457      254.4963 281.2985       327.9231 55.83715 26.80710 83.79274 36.27223 -27.95559      45.10316 
1 1 1 9   41 0  o 93.76601 23.87791 306.6535       131.6416 408.5510       285.1479 279.0536       148.4028 99.77433 36.85669 88.18076 26.53609 11.59357       45.41564 
1 1 1 9   41 1  o 85.29063 24.27851 254.7760       127.2511 298.3799       306.1215 245.6674       139.9121 90.37582 36.77971 83.28507 25.90241 7.090752       44.98535 
1 1 1 9   41 2  o 87.26873 22.50170 261.9409       115.9063 258.6239       279.7914 262.6281       127.3474 86.58035 35.18938 86.61361 24.16065 -0.3326416E-01 42.68524 
1 1 1 9   41 3  o 40.51903 18.85152 -74.41642      108.5784 178.4345       250.7962 -132.7408      120.4519 78.88725 32.81630 39.15145 18.70101 39.73580       37.77085 
1 1 1 9   41 4  o 52.35304 21.29488 53.63031       102.5566 -264.9859      251.1326 117.4015       112.3522 54.05759 26.12209 62.59741 23.13305 -8.539825      34.89272 
1 1 1 9   41 5  o 45.00301 19.79142 -5.951506      101.0074 281.3505       233.2342 -72.27459      112.0612 87.43867 33.12008 41.42096 19.23031 46.01771       38.29810 
1 1 1 9   41 6  f 132.5246 16.97081 561.6008       128.8783 1008.745       255.2943 408.6759       149.2990 169.1069 26.62025 108.2803 24.12773 60.82655       35.92750 
1 1 1 9   41 7  o 64.99190 23.45754 132.9232       114.5206 39.33287       236.3260 161.6452       130.9191 67.32018 29.90693 70.16944 25.11122 -2.849266      39.05122 
1 1 1 9   41 8  o 74.76674 24.00891 193.0096       119.3350 88.66270       243.1364 226.1240       136.9677 71.13326 31.00800 79.92641 25.72687 -8.793144      40.29104 
1 1 1 9   41 9  o 140.4911 15.90244 625.8994       128.7265 783.4262       266.6794 578.0455       146.9842 141.7583 32.73742 132.5553 19.48831 9.203049       38.09898 
1 1 1 9   41 10 o 128.8685 16.20744 529.6369       119.7902 336.9507       252.0687 585.8485       136.1465 92.04424 34.52567 134.6369 17.66810 -42.59267      38.78381 
1 1 1 9   41 11 o 49.06481 21.38415 9.342923       115.5894 19.66429       247.4229 6.461373       130.7327 66.49353 29.98732 51.32877 22.54663 15.16476       37.51786 
1 1 1 9   41 12 o 74.75154 31.96494 144.9092       248.7890 144.9092       248.7890 0.000000       0.000000 74.75154 31.96494 ?        ?        0.000000       31.96494 
1 1 1 9   41 13 o 106.8857 36.00337 497.6459       267.1464 497.6459       267.1464 0.000000       0.000000 106.8857 36.00337 ?        ?        0.000000       36.00337 
1 1 1 9   41 14 o 61.02271 28.82641 -121.5277      270.8908 -121.5277      270.8908 0.000000       0.000000 61.02271 28.82641 ?        ?        0.000000       28.82641 
1 1 1 9   41 15 o 57.41253 26.86652 -90.15166      225.7584 65.45922       284.0789 -356.8837      371.9260 71.14718 32.10479 62.01759 30.37143 9.129589       44.19436 
1 1 1 9   41 16 o 79.29431 31.84571 224.8200       226.1161 128.9330       287.6614 379.8632       365.7868 74.86790 33.14163 92.37627 39.10221 -17.50836      51.25769 
1 1 1 9   41 17 o 69.95280 31.14520 82.34286       257.7437 82.34286       257.7437 0.000000       0.000000 69.95280 31.14520 ?        ?        0.000000       31.14520 
1 1 1 9   41 18 o 80.32614 30.65861 244.6415       200.7972 281.1005       229.0529 123.6104       417.3324 84.13761 32.58062 79.80711 37.07188 4.330498       49.35403 
1 1 1 9   41 19 o 116.6376 31.48553 556.2640       220.3568 599.7156       253.2563 420.8553       447.0751 117.2915 34.51257 92.57969 41.13112 24.71180       53.69252 
1 1 1 9   41 20 o 70.05502 29.80063 135.6452       214.2483 132.0306       248.3586 146.1598       423.5922 71.77003 31.31148 79.99834 37.22453 -8.228302      48.64231 
1 1 1 9   41 21 o 70.27126 29.31682 148.4823       201.0018 159.6907       229.0046 110.8755       419.4754 72.66211 30.85593 78.31999 36.64111 -5.657883      47.90261 
1 1 1 9   41 22 o 67.17197 29.34821 98.52909       218.8786 98.52909       218.8786 0.000000       0.000000 67.17197 29.34821 ?        ?        0.000000       29.34821 
1 1 1 9   42 0  o 128.6423 32.31927 650.1316       243.4923 718.3854       304.4930 529.0734       405.5186 128.3956 37.85975 104.5439 42.41067 23.85169       56.85091 
1 1 1 9   42 1  o 103.9309 22.77948 374.0033       135.0076 242.4246       305.6542 405.8965       150.4828 84.81379 35.81478 107.1514 24.48331 -22.33765      43.38353 
1 1 1 9   42 2  o 218.0174 13.32767 1469.863       169.5961 1465.249       295.0933 1472.139       207.2416 205.0016 25.06507 215.2243 16.54546 -10.22261      30.03348 
1 1 1 9   42 3  o 83.29913 24.34584 246.5547       126.3896 -92.71217      288.1927 327.3463       140.6356 64.60966 30.27332 95.65622 24.84822 -31.04655      39.16514 
1 1 1 9   42 4  o 203.2357 11.79035 1264.278       139.9293 1926.330       278.9915 1041.758       161.7444 242.1941 19.81465 181.8227 15.31018 60.37143       25.04041 
1 1 1 9   42 5  o 80.58256 24.92428 232.0300       129.7468 249.3975       265.5318 226.5827       148.7085 83.71738 34.18506 79.33768 26.86165 4.379692       43.47604 
1 1 1 9   42 6  f 90.36631 24.67044 293.2189       134.3887 341.6381       251.9169 273.9583       158.8853 91.76672 34.49547 85.87922 27.71486 5.887497       44.24987 
1 1 1 9   42 7  o 88.29072 24.05122 278.1880       127.8898 268.8632       264.5385 281.0321       146.0972 85.00248 34.33694 87.46685 26.33092 -2.464371      43.27058 
1 1 1 9   42 8  o 48.98662 21.84010 -10.98748      127.1866 429.9136       270.9393 -135.6075      144.0441 99.51382 36.05851 43.25140 20.60122 56.26242       41.52862 
1 1 1 9   42 9  o 58.10260 23.92474 73.88631       131.4457 20.66079       272.1328 90.08318       150.1192 68.13287 31.01292 61.91007 25.53773 6.222805       40.17433 
1 1 1 9   42 10 o 120.4392 18.57423 478.6725       126.9854 359.3323       285.8553 508.0132       141.7385 92.06225 36.18050 122.7939 20.39692 -30.73164      41.53387 
1 1 1 9   42 11 o 119.1587 20.04324 477.8661       135.1028 256.3601       266.7057 554.3253       156.6947 83.09270 34.13265 127.0729 21.81095 -43.98016      40.50624 
1 1 1 9   42 12 o 52.05007 25.55956 -352.3971      269.0197 -352.3971      269.0197 0.000000       0.000000 52.05007 25.55956 ?        ?        0.000000       25.55956 
1 1 1 9   42 13 o 76.55376 33.27688 166.0824       278.3600 166.0824       278.3600 0.000000       0.000000 76.55376 33.27688 ?        ?        0.000000       33.27688 
1 1 1 9   42 14 o 65.39866 30.27402 -21.29601      274.6954 -21.29601      274.6954 0.000000       0.000000 65.39866 30.27402 ?        ?        0.000000       30.27402 
1 1 1 9   42 15 o 86.34575 35.23115 307.1017       281.7663 307.1017       281.7663 0.000000       0.000000 86.34575 35.23115 ?        ?        0.000000       35.23115 
1 1 1 9   42 16 o 58.06039 26.88560 -47.31527      216.9033 131.6117       270.3999 -370.2258      363.2535 73.12945 32.26273 60.10235 29.55096 13.02710       43.75092 
1 1 1 9   42 17 o 74.20564 29.49490 193.5437       191.9477 53.24997       236.2892 465.7568       329.1390 65.69334 29.49268 96.93729 38.59262 -31.24395      48.57169 
1 1 1 9   42 18 o 58.37861 27.04600 -43.26514      219.8951 -43.26514      219.8951 0.000000       0.000000 58.37861 27.04600 ?        ?        0.000000       27.04600 
1 1 1 9   42 19 o 57.17035 26.45209 -43.32865      209.3362 58.00414       265.3411 -210.3664      340.6723 67.95135 30.80932 62.47594 30.24664 5.475418       43.17492 
1 1 1 9   42 20 o 63.11063 28.29317 45.45557       216.6166 -129.5091      273.3796 340.6275       355.0819 59.35457 28.30202 86.89298 37.67889 -27.53841      47.12434 
1 1 1 9   43 0  o 118.8710 21.64344 484.7975       145.3302 380.3926       301.1465 516.4948       165.9310 93.36947 36.99803 120.5533 24.30926 -27.18384      44.26956 
1 1 1 9   43 1  o 107.9938 23.17684 410.3748       142.3989 282.5647       298.7545 447.9477       161.9830 85.80118 35.76451 111.1066 25.41212 -25.30538      43.87341 
1 1 1 9   43 2  o 138.3435 17.74546 624.4398       140.6667 816.8812       272.8863 554.8006       164.1570 141.8237 33.36889 126.1421 23.03823 15.68166       40.54927 
1 1 1 9   43 3  o 244.7020 13.29639 1860.162       190.1023 2041.380       317.0690 1758.460       237.5302 244.3641 22.37209 233.2060 17.49467 11.15808       28.40025 
1 1 1 9   43 4  o 61.27357 24.23055 104.5473       128.9223 453.2524       274.3776 5.747280       146.0488 100.6058 36.30941 53.16860 23.57132 47.43723       43.28949 
1 1 1 9   43 5  o 77.65245 25.30221 218.6132       132.2426 190.2874       280.5201 226.7070       149.9503 78.41462 33.74359 78.53824 26.96566 -0.1236191     43.19464 
1 1 1 9   43 6  o 52.97424 22.80506 32.59045       128.2253 39.92301       291.0356 30.82426       142.8357 69.93143 31.92401 54.84823 23.83960 15.08319       39.84305 
1 1 1 9   43 7  o 50.21290 22.22459 2.192221       129.3170 186.7427       275.3731 -50.02146      146.4725 77.74494 33.44373 48.80997 22.41840 28.93497       40.26249 
1 1 1 9   43 8  o 87.81861 26.25578 288.4704       145.6374 287.5056       282.3409 288.8201       169.9989 85.22901 35.07606 86.43696 28.71382 -1.207947      45.33005 
1 1 1 9   43 9  o 94.91655 24.75784 329.3012       139.2331 96.27446       284.3430 402.7971       159.6875 72.34921 32.42684 104.0612 26.18949 -31.71204      41.68200 
1 1 1 9   43 10 o 54.88189 22.87695 59.24800       122.2420 36.06944       268.3302 65.31831       137.3193 67.75387 30.82291 57.40307 24.10918 10.35080       39.13189 
1 1 1 9   43 11 o 77.16250 23.10459 213.2316       112.7123 106.2888       284.2238 233.1879       122.7792 72.63103 32.49648 80.07542 24.14554 -7.444382      40.48492 
1 1 1 9   43 12 o 66.02287 30.71083 -20.24385      287.9264 -20.24385      287.9264 0.000000       0.000000 66.02287 30.71083 ?        ?        0.000000       30.71083 
1 1 1 9   43 13 o 82.11501 34.98392 258.2539       296.0427 258.2539       296.0427 0.000000       0.000000 82.11501 34.98392 ?        ?        0.000000       34.98392 
1 1 1 9   43 14 o 67.93994 31.52447 8.770979       300.5032 8.770979       300.5032 0.000000       0.000000 67.93994 31.52447 ?        ?        0.000000       31.52447 
1 1 1 9   43 15 o 188.4504 28.06207 1343.687       300.7010 1343.687       300.7010 0.000000       0.000000 188.4504 28.06207 ?        ?        0.000000       28.06207 
1 1 1 9   43 16 o 66.41207 30.51946 22.20146       271.9601 22.20146       271.9601 0.000000       0.000000 66.41207 30.51946 ?        ?        0.000000       30.51946 
1 1 1 9   43 17 o 59.22631 27.05984 -5.548277      209.6761 -131.5021      263.6477 211.2146       345.8684 58.36186 27.81891 79.61762 35.71782 -21.25576      45.27311 
1 1 1 9   44 0  o 99.14622 22.16916 346.0576       125.6680 554.4683       274.9382 291.0176       141.2909 109.7261 36.51810 88.24852 25.72658 21.47760       44.67022 
1 1 1 9   44 1  o 63.68933 28.57757 36.39538       221.5230 88.66018       275.3004 -59.59896      373.0998 71.00150 31.85834 70.46536 33.44668 0.5361404      46.19128 
1 1 1 9   44 2  o 136.9984 18.46698 621.6534       144.6003 828.1654       264.6289 533.7447       172.6556 142.9023 32.33322 121.1306 25.12846 21.77177       40.94969 
1 1 1 9   44 3  o 80.43710 25.08255 238.3778       131.1018 -110.8354      248.3905 373.2272       154.3527 58.36352 27.58018 99.87473 26.07550 -41.51120      37.95521 
1 1 1 9   44 4  o 48.48484 21.81943 -17.35849      130.2036 -271.9349      263.6584 64.74947       149.7357 53.67594 26.12960 58.63052 24.92598 -4.954578      36.11178 
1 1 1 9   44 5  o 73.60330 25.70851 195.6876       136.5472 -109.7595      270.4739 300.1638       158.1853 60.51916 28.65280 88.23576 27.55756 -27.71659      39.75426 
1 1 1 9   44 6  o 95.89329 29.20547 366.1979       179.0089 365.6366       292.2639 366.5349       226.4565 90.34603 36.23250 92.54787 33.03679 -2.201843      49.03288 
1 1 1 9   44 7  o 165.5212 26.78419 1014.641       251.1289 955.3002       312.7534 1122.339       421.3355 147.0814 36.44468 142.5468 45.03912 4.534607       57.93736 
1 1 1 9   44 8  o 46.89302 22.06920 -98.32010      156.1116 175.4453       301.2658 -198.8150      182.5293 76.82487 33.96646 45.89590 22.20047 30.92896       40.57809 
1 1 1 9   44 9  o 108.1055 22.57020 414.8320       138.4703 375.4801       285.7351 426.9103       158.3007 90.65061 36.00091 107.0280 25.57026 -16.37740      44.15771 
1 1 1 9   44 10 o 79.92836 25.12126 238.1505       131.2417 479.1369       288.9606 175.5188       147.3124 99.59602 37.04433 70.59024 26.41125 29.00578       45.49546 
1 1 1 9   44 11 o 47.60760 20.60569 19.09350       105.7995 232.2303       287.9866 -14.16077      113.7540 79.64813 34.23095 45.69914 20.49403 33.94899       39.89690 
1 1 1 9   44 12 o 66.76550 30.84398 15.40825       283.0117 15.40825       283.0117 0.000000       0.000000 66.76550 30.84398 ?        ?        0.000000       30.84398 
1 1 1 9   44 13 o 68.83025 31.67716 43.40197       294.4822 43.40197       294.4822 0.000000       0.000000 68.83025 31.67716 ?        ?        0.000000       31.67716 
1 1 1 9   44 14 o 94.23859 36.87682 432.9414       295.8829 432.9414       295.8829 0.000000       0.000000 94.23859 36.87682 ?        ?        0.000000       36.87682 
1 1 1 9   45 0  o 90.78036 24.08048 304.0169       130.2940 504.4474       280.2092 248.7264       147.1722 102.1659 36.71620 80.57352 26.71498 21.59237       45.40671 
1 1 1 9   45 1  o 67.33411 24.84025 156.4368       129.4497 197.2491       261.4770 143.1862       148.9893 76.24627 32.69054 66.47543 26.12171 9.770844       41.84513 
1 1 1 9   45 2  o 89.82268 24.25955 298.5596       130.7781 364.2435       237.0311 269.8143       156.8045 90.82540 33.59401 83.19509 27.57505 7.630310       43.46194 
1 1 1 9   45 3  o 175.0407 14.19416 970.3644       144.4641 1133.810       242.8509 880.8505       179.7210 178.1524 23.84124 161.8100 19.31965 16.34244       30.68638 
1 1 1 9   45 4  f 81.89847 26.76033 257.8214       147.8726 348.4977       261.3374 215.1181       179.3435 88.42962 34.64148 75.75719 28.95986 12.67243       45.15203 
1 1 1 9   45 5  o 66.20898 27.70404 122.3300       180.2891 -24.01253      285.4548 219.4453       232.5392 64.90301 30.31902 77.11946 31.79518 -12.21645      43.93377 
1 1 1 9   45 6  o 132.1456 25.76825 647.4840       192.5282 784.2381       291.3440 541.4678       256.5205 130.6948 36.57592 108.4785 35.23220 22.21630       50.78490 
1 1 1 9   45 7  o 111.4593 26.45168 471.0686       170.2986 451.7702       295.0911 480.7055       208.5281 96.21228 37.05372 107.1625 31.25801 -10.95020      48.47722 
1 1 1 9   45 8  f 91.81133 27.33142 329.6147       158.0785 379.7703       310.8359 312.1174       183.5930 89.72821 36.85235 87.37655 29.84241 2.351662       47.42010 
1 1 1 9   45 9  o 47.63164 21.76478 -34.47934      135.6952 -445.9824      310.5069 62.66100       150.8636 52.83230 26.21987 57.95751 24.83986 -5.125214      36.11787 
1 1 1 9   45 10 o 72.83788 25.55978 196.0110       135.0701 359.9366       319.8703 160.4389       149.0063 87.59083 36.79264 68.27820 26.32121 19.31263       45.23830 
1 1 1 9   46 0  o 131.5815 18.08760 578.9040       135.8915 504.9477       289.8907 599.7324       153.8416 100.0943 37.12771 131.6832 20.59438 -31.58885      42.45698 
1 1 1 9   46 1  o 130.9239 22.04781 605.4493       163.2827 163.8582       279.0609 835.3360       201.3472 73.83148 32.66460 152.7750 23.20050 -78.94350      40.06544 
1 1 1 9   46 2  o 109.9506 27.35718 471.7238       175.6932 273.9566       269.5932 617.7256       231.6387 81.13773 33.90893 120.2222 32.20670 -39.08449      46.76630 
1 1 1 9   46 3  o 163.3268 17.44449 881.9036       164.5120 1219.712       267.8310 677.2326       208.4751 180.8896 25.99168 132.1513 27.78199 48.73830       38.04480 
1 1 1 9   46 4  o 56.65029 24.72359 46.78075       154.9584 -67.86187      244.1983 124.0620       200.4964 58.72100 27.62526 67.04045 28.68212 -8.319454      39.82235 
1 1 1 10  0  0  o 131.6847 15.48281 530.4637       115.2448 530.4637       115.2448 530.4637       115.2448 131.6847 15.48281 131.6847 15.48281 0.000000       0.000000 
1 1 1 10  0  1  o 86.41103 33.52038 301.6308       161.5519 301.6308       161.5519 301.6308       161.5519 86.41103 33.52038 86.41103 33.52038 0.000000       0.000000 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  9  o 506.4185 14.40779 7547.240       427.1317 7547.240       427.1317 7547.240       427.1317 506.4185 14.40779 506.4185 14.40779 0.000000       0.000000 
1 1 1 10  0  10 o 853.0458 21.10062 21425.22       1054.186 21425.22       1054.186 21425.22       1054.186 853.0458 21.10062 853.0458 21.10062 0.000000       0.000000 
1 1 1 10  0  11 o 1073.507 25.97846 33960.42       1633.406 33960.42       1633.406 33960.42       1633.406 1073.507 25.97846 1073.507 25.97846 0.000000       0.000000 
1 1 1 10  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  16 o 471.4740 10.93590 6533.182       302.0193 6533.182       302.0193 6533.182       302.0193 471.4740 10.93590 471.4740 10.93590 0.000000       0.000000 
1 1 1 10  0  17 o 299.4827 11.61806 2644.025       203.3604 2644.025       203.3604 2644.025       203.3604 299.4827 11.61806 299.4827 11.61806 0.000000       0.000000 
1 1 1 10  0  18 o 416.8790 9.914470 5108.032       242.0889 5108.032       242.0889 5108.032       242.0889 416.8790 9.914470 416.8790 9.914470 0.000000       0.000000 
1 1 1 10  0  19 o 185.7236 13.71612 1029.308       147.4845 1029.308       147.4845 1029.308       147.4845 185.7236 13.71612 185.7236 13.71612 0.000000       0.000000 
1 1 1 10  0  20 o 461.1892 10.09203 6251.503       272.6707 6251.503       272.6707 6251.503       272.6707 461.1892 10.09203 461.1892 10.09203 0.000000       0.000000 
1 1 1 10  0  21 o 179.9224 13.98682 968.1688       145.4820 968.1688       145.4820 968.1688       145.4820 179.9224 13.98682 179.9224 13.98682 0.000000       0.000000 
1 1 1 10  0  22 o 191.7612 12.65356 1094.263       140.8640 1094.263       140.8640 1094.263       140.8640 191.7612 12.65356 191.7612 12.65356 0.000000       0.000000 
1 1 1 10  0  23 o 73.77908 28.73366 220.0927       118.5182 220.0927       118.5182 220.0927       118.5182 73.77908 28.73366 73.77908 28.73366 0.000000       0.000000 
1 1 1 10  0  24 o 581.3671 11.04460 9940.253       376.2679 9940.253       376.2679 9940.253       376.2679 581.3671 11.04460 581.3671 11.04460 0.000000       0.000000 
1 1 1 10  0  25 o 457.6154 9.644896 6158.726       258.5908 6158.726       258.5908 6158.726       258.5908 457.6154 9.644896 457.6154 9.644896 0.000000       0.000000 
1 1 1 10  0  26 o 41.42072 24.49948 57.27342       102.4711 57.27342       102.4711 57.27342       102.4711 41.42072 24.49948 41.42072 24.49948 0.000000       0.000000 
1 1 1 10  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  28 o 35.30764 22.57646 7.517079       104.5960 7.517079       104.5960 7.517079       104.5960 35.30764 22.57646 35.30764 22.57646 0.000000       0.000000 
1 1 1 10  0  29 o 149.6764 13.47764 675.4245       115.9951 675.4245       115.9951 675.4245       115.9951 149.6764 13.47764 149.6764 13.47764 0.000000       0.000000 
1 1 1 10  0  30 o 32.00164 21.21864 -26.53430      105.0894 -26.53430      105.0894 -26.53430      105.0894 32.00164 21.21864 32.00164 21.21864 0.000000       0.000000 
1 1 1 10  0  31 o 71.72343 30.42061 217.0822       129.6418 217.0822       129.6418 217.0822       129.6418 71.72343 30.42061 71.72343 30.42061 0.000000       0.000000 
1 1 1 10  0  32 o 161.2986 15.90819 789.2627       146.8877 789.2627       146.8877 789.2627       146.8877 161.2986 15.90819 161.2986 15.90819 0.000000       0.000000 
1 1 1 10  0  33 o 103.0688 23.94864 361.0059       125.9020 361.0059       125.9020 361.0059       125.9020 103.0688 23.94864 103.0688 23.94864 0.000000       0.000000 
1 1 1 10  0  34 o 40.67574 26.06527 9.762325       140.3577 9.762325       140.3577 9.762325       140.3577 40.67574 26.06527 40.67574 26.06527 0.000000       0.000000 
1 1 1 10  0  35 o 105.2593 28.72682 396.0327       153.2863 396.0327       153.2863 396.0327       153.2863 105.2593 28.72682 105.2593 28.72682 0.000000       0.000000 
1 1 1 10  0  36 o 410.6714 10.74657 4976.559       258.4296 4976.559       258.4296 4976.559       258.4296 410.6714 10.74657 410.6714 10.74657 0.000000       0.000000 
1 1 1 10  0  37 o 30.29833 21.37151 -173.8099      151.5002 -173.8099      151.5002 -173.8099      151.5002 30.29833 21.37151 30.29833 21.37151 0.000000       0.000000 
1 1 1 10  0  38 o 252.6837 13.03787 1901.860       192.0314 1901.860       192.0314 1901.860       192.0314 252.6837 13.03787 252.6837 13.03787 0.000000       0.000000 
1 1 1 10  0  39 o 29.99043 21.19085 -176.1032      151.0527 -176.1032      151.0527 -176.1032      151.0527 29.99043 21.19085 29.99043 21.19085 0.000000       0.000000 
1 1 1 10  0  40 o 23.58974 17.30957 -415.3247      158.4473 -415.3247      158.4473 -415.3247      158.4473 23.58974 17.30957 23.58974 17.30957 0.000000       0.000000 
1 1 1 10  0  41 o 230.4221 12.56404 1590.235       168.6253 1590.235       168.6253 1590.235       168.6253 230.4221 12.56404 230.4221 12.56404 0.000000       0.000000 
1 1 1 10  0  42 o 132.5645 20.08046 565.6069       145.5258 565.6069       145.5258 565.6069       145.5258 132.5645 20.08046 132.5645 20.08046 0.000000       0.000000 
1 1 1 10  0  43 o 34.43762 23.12142 -39.30417      131.7422 -39.30417      131.7422 -39.30417      131.7422 34.43762 23.12142 34.43762 23.12142 0.000000       0.000000 
1 1 1 10  0  44 f 188.7167 13.81651 1082.705       150.9940 1082.705       150.9940 1082.705       150.9940 188.7167 13.81651 188.7167 13.81651 0.000000       0.000000 
1 1 1 10  0  45 o 230.8186 12.16208 1602.792       163.5876 1602.792       163.5876 1602.792       163.5876 230.8186 12.16208 230.8186 12.16208 0.000000       0.000000 
1 1 1 10  0  46 o 39.95058 26.12716 4.710354       151.0663 4.710354       151.0663 4.710354       151.0663 39.95058 26.12716 39.95058 26.12716 0.000000       0.000000 
1 1 1 10  0  47 o 122.4934 27.60262 537.3926       173.0190 537.3926       173.0190 537.3926       173.0190 122.4934 27.60262 122.4934 27.60262 0.000000       0.000000 
1 1 1 10  0  48 f 54.28516 31.74194 137.6470       168.6397 137.6470       168.6397 137.6470       168.6397 54.28516 31.74194 54.28516 31.74194 0.000000       0.000000 
1 1 1 10  0  49 o 33.30278 23.67397 -223.4740      198.6126 -223.4740      198.6126 -223.4740      198.6126 33.30278 23.67397 33.30278 23.67397 0.000000       0.000000 
1 1 1 10  1  0  o 625.5536 15.43109 11534.18       566.1243 11351.54       789.8267 11727.16       811.8697 618.6282 21.80375 628.7102 22.05252 -10.08203      31.01157 
1 1 1 10  1  1  f 428.0402 12.10324 5393.861       303.5291 5257.455       419.5063 5543.726       439.7164 421.7816 16.99380 433.0604 17.34817 -11.27878      24.28473 
1 1 1 10  1  2  o 214.9685 11.95006 1363.364       150.0662 1250.946       208.8803 1483.284       215.7370 205.1411 17.52960 223.6536 16.56502 -18.51259      24.11819 
1 1 1 10  1  3  o 637.0294 22.47567 12036.50       838.3814 12036.50       838.3814 0.000000       0.000000 637.0294 22.47567 ?        ?        0.000000       22.47567 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  1  8  o 1013.945 24.71640 30375.94       1469.772 30375.94       1469.772 0.000000       0.000000 1013.945 24.71640 ?        ?        0.000000       24.71640 
1 1 1 10  1  9  o 116.1246 19.33237 407.5959       127.0349 385.9320       172.5800 433.2158       187.6770 112.0622 26.65031 118.7097 27.49777 -6.647484      38.29316 
1 1 1 10  1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  1  11 o 828.5787 14.48448 20172.06       703.8613 20221.51       999.7827 20123.46       991.0945 828.7586 20.56966 826.7677 20.44001 1.990906       28.99836 
1 1 1 10  1  12 o 1441.753 34.57778 61640.78       2923.739 61640.78       2923.739 0.000000       0.000000 1441.753 34.57778 ?        ?        0.000000       34.57778 
1 1 1 10  1  13 o 838.5404 12.04490 20647.97       592.3489 20245.90       993.6884 20869.61       737.7600 829.2460 20.43226 842.7125 14.92743 -13.46649      25.30426 
1 1 1 10  1  14 o 742.8373 13.34374 16210.10       581.3286 18058.46       936.8412 15052.78       741.3103 782.8430 20.42264 715.3468 17.66985 67.49615       27.00570 
1 1 1 10  1  15 o 897.4883 12.87087 23661.12       677.4657 23457.00       1157.298 23767.54       835.5986 892.0920 22.12000 899.1003 15.84671 -7.008301      27.21052 
1 1 1 10  1  16 o 349.9968 10.46167 3599.702       214.5003 4135.734       337.0474 3234.814       278.0839 374.7411 15.36851 331.4457 14.33975 43.29538       21.01950 
1 1 1 10  1  17 o 513.7644 8.867941 7747.473       267.2005 7908.207       341.6605 7494.344       428.7573 518.9184 11.22652 504.6953 14.50047 14.22314       18.33844 
1 1 1 10  1  18 o 381.3224 7.029945 4266.638       157.2153 4231.639       219.7368 4303.343       225.0296 379.5075 9.881015 382.6999 10.03473 -3.192322      14.08298 
1 1 1 10  1  19 o 700.2349 9.042979 14395.90       371.3691 14586.88       534.5523 14217.73       516.3130 704.4142 12.93932 695.4811 12.65835 8.933105       18.10138 
1 1 1 10  1  20 o 111.3548 15.14470 371.6939       96.34449 273.5327       137.9248 465.2323       134.6380 94.36148 24.65512 124.1513 19.10266 -29.78985      31.18953 
1 1 1 10  1  21 o 349.4829 6.909254 3584.980       141.6144 3569.583       201.4372 3600.026       199.1289 348.4200 9.867876 349.9187 9.712629 -1.498657      13.84594 
1 1 1 10  1  22 o 288.7246 6.936659 2447.192       117.4586 2415.997       166.8081 2477.871       165.4236 286.5406 9.941197 290.2115 9.733008 -3.670868      13.91254 
1 1 1 10  1  23 f 94.65421 15.75764 271.4205       84.40061 191.9502       123.4532 341.1616       115.6496 79.99815 24.23102 105.7242 19.36516 -25.72600      31.01857 
1 1 1 10  1  24 o 455.7377 6.825165 6099.162       182.4226 6033.685       255.2644 6167.507       260.7935 452.9679 9.608870 457.9498 9.710206 -4.981934      13.66084 
1 1 1 10  1  25 o 153.2177 9.330968 692.9940       83.44920 746.5817       120.1951 643.1253       115.9494 158.5725 13.03944 147.0109 13.60255 11.56158       18.84294 
1 1 1 10  1  26 o 215.5110 10.33972 1370.583       130.3047 0.000000       0.000000 1370.583       130.3047 ?        ?        215.5110 10.33972 0.000000       10.33972 
1 1 1 10  1  27 o 96.99300 13.44950 283.1464       74.45024 271.9346       105.6837 294.1921       104.8978 93.81458 19.82961 97.81911 18.96962 -4.004539      27.44194 
1 1 1 10  1  28 o 307.1366 7.081081 2772.408       127.5503 2654.376       195.7391 2859.516       168.1540 299.8276 11.15097 311.5482 9.213161 -11.72064      14.46466 
1 1 1 10  1  29 o 474.8503 7.033305 6627.101       195.8694 6714.715       279.9154 6543.043       274.1762 477.4247 9.997039 471.2989 9.919339 6.125824       14.08311 
1 1 1 10  1  30 o 230.3107 7.555518 1561.153       101.9156 1514.921       143.4835 1608.228       144.7861 226.4293 10.83630 233.3497 10.60733 -6.920395      15.16381 
1 1 1 10  1  31 o 315.0441 7.132677 2917.172       131.7875 2926.586       186.8690 2907.856       185.8864 315.0243 10.12762 314.0172 10.10670 1.007080       14.30783 
1 1 1 10  1  32 o 167.2564 10.45778 827.7075       102.0691 726.6397       144.6257 928.0012       144.0709 155.6782 16.07118 176.5393 14.03036 -20.86115      21.33387 
1 1 1 10  1  33 f 448.0171 7.312795 5902.218       192.1447 6061.359       278.7932 5758.234       265.1847 453.3538 10.48563 441.9326 10.23156 11.42117       14.65037 
1 1 1 10  1  34 o 271.5380 7.770555 2171.458       123.6193 2259.107       182.2292 2096.738       168.2541 276.3203 11.26851 266.2872 10.79608 10.03314       15.60560 
1 1 1 10  1  35 o 271.9609 7.756797 2179.342       123.5935 2225.614       176.0184 2134.343       173.5822 274.1809 10.96851 268.4725 11.04801 5.708435       15.56813 
1 1 1 10  1  36 o 152.7939 16.69771 706.3572       147.1952 1030.546       370.0157 645.4088       160.4362 176.1860 36.98952 145.2137 19.31712 30.97234       41.72979 
1 1 1 10  1  37 o 62.13867 22.22894 102.7523       102.5799 63.04198       154.3859 134.1410       137.2594 64.42352 26.15596 70.94294 25.67077 -6.519424      36.64864 
1 1 1 10  1  38 o 180.9727 11.22130 975.2674       118.5128 1116.198       173.2659 851.3666       162.4602 192.3779 15.48783 167.4371 16.76961 24.94086       22.82745 
1 1 1 10  1  39 o 147.3815 12.81503 653.4232       109.6676 581.3066       150.1894 735.7932       160.5115 136.7825 19.25442 154.6459 18.03589 -17.86334      26.38231 
1 1 1 10  1  40 o 41.32393 18.84781 -55.46777      101.1557 -51.40123      139.3247 -60.00107      147.1036 49.95056 22.51682 50.77875 22.98992 -0.8281860     32.17987 
1 1 1 10  1  41 o 92.18288 19.71178 273.4199       103.3407 296.0802       147.5451 251.5993       144.7854 93.88691 25.93722 86.91541 26.22294 6.971504       36.88336 
1 1 1 10  1  42 o 165.1789 11.13453 821.1553       107.2338 809.1563       153.1204 832.7048       150.2242 161.5930 16.38313 164.2557 15.78865 -2.662689      22.75277 
1 1 1 10  1  43 o 85.61789 20.37254 240.9485       100.8064 329.1314       143.5401 155.1292       141.6033 98.24940 24.88727 71.49797 26.04453 26.75143       36.02352 
1 1 1 10  1  44 o 51.03236 20.51727 50.70770       93.96431 147.2298       141.4924 -25.44590      125.6797 69.87660 25.93500 48.45001 21.64816 21.42659       33.78264 
1 1 1 10  1  45 o 84.33311 21.02563 238.9067       103.6261 405.5410       147.8561 78.03568       145.2767 108.7665 23.83839 61.46202 25.21317 47.30445       34.69831 
1 1 1 10  1  46 o 44.60696 20.02347 -26.60131      108.8777 -6.138317      152.0956 -48.10861      155.9284 54.02071 23.99590 51.40625 23.42875 2.614468       33.53669 
1 1 1 10  1  47 o 177.8963 11.60812 966.8945       120.4484 922.3278       166.1186 1016.298       174.8999 170.0072 16.88385 178.4944 16.90923 -8.487259      23.89532 
1 1 1 10  1  48 o 58.92282 23.67579 85.64672       125.0442 169.9000       179.5131 6.232917       174.2813 72.90417 28.66536 57.45268 25.59331 15.45150       38.42812 
1 1 1 10  1  49 o 134.7952 18.88602 599.1773       145.2109 667.3696       216.9217 543.8065       195.4682 133.4667 28.57473 120.4174 28.18026 13.04936       40.13281 
1 1 1 10  2  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2  1  f 364.3783 11.47643 3908.145       244.9446 4121.833       350.5625 3704.304       342.3901 373.5545 16.03887 354.0104 16.53699 19.54413       23.03731 
1 1 1 10  2  2  o 129.6498 24.04989 514.2753       176.1356 514.2753       176.1356 0.000000       0.000000 129.6498 24.04989 ?        ?        0.000000       24.04989 
1 1 1 10  2  3  o 310.2650 15.75300 2843.933       285.7084 2843.933       285.7084 0.000000       0.000000 310.2650 15.75300 ?        ?        0.000000       15.75300 
1 1 1 10  2  4  o 509.9681 19.04942 7688.573       568.7368 7688.573       568.7368 0.000000       0.000000 509.9681 19.04942 ?        ?        0.000000       19.04942 
1 1 1 10  2  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  2  9  o 650.9647 12.03550 12445.51       459.4859 12077.29       627.3668 12871.58       674.8507 640.5833 16.71346 661.2231 17.41757 -20.63977      24.13942 
1 1 1 10  2  10 o 524.3141 10.36385 8069.831       318.6862 7742.295       432.6279 8458.412       471.2222 513.1106 14.39071 536.2699 14.99749 -23.15930      20.78502 
1 1 1 10  2  11 o 485.0742 9.949056 6906.265       283.0352 7424.032       430.5572 6512.253       375.5934 502.4445 14.62699 470.6455 13.62168 31.79898       19.98747 
1 1 1 10  2  12 o 1190.476 20.20502 41719.09       1410.686 42801.31       2067.671 40776.66       1929.511 1203.270 29.30003 1174.875 28.00303 28.39478       40.52976 
1 1 1 10  2  13 o 699.2172 12.64993 14358.85       518.7412 15138.95       782.6456 13747.63       692.7705 717.0702 18.62605 683.4952 17.29627 33.57501       25.41831 
1 1 1 10  2  14 o 539.0567 9.023060 8528.002       285.2586 8250.171       470.3719 8689.628       358.7622 529.5904 15.15995 544.0170 11.24459 -14.42664      18.87498 
1 1 1 10  2  15 o 534.9449 11.16412 8402.562       350.2547 8210.607       488.2459 8606.082       502.7419 528.2184 15.77835 540.7902 15.86849 -12.57178      22.37779 
1 1 1 10  2  16 o 763.8240 9.878908 17127.14       442.5402 17031.63       623.5356 17224.08       628.1830 761.2734 13.96594 765.5593 13.99126 -4.285889      19.76873 
1 1 1 10  2  17 o 338.7414 7.516178 3367.096       149.3193 3231.608       210.5073 3504.302       211.8378 331.5569 10.84033 345.3046 10.47256 -13.74765      15.07273 
1 1 1 10  2  18 o 415.0457 7.073867 5054.742       172.1882 4990.640       246.9149 5115.427       240.2437 412.2581 10.21240 417.4023 9.814015 -5.144196      14.16361 
1 1 1 10  2  19 o 236.6245 8.355372 1645.655       115.7695 1464.639       165.5906 1818.728       161.9167 222.8549 12.72246 248.5611 11.13556 -25.70618      16.90745 
1 1 1 10  2  20 o 461.8403 7.163880 6260.331       194.0397 6179.362       272.1000 6344.113       276.7873 458.6378 10.11598 464.7083 10.15582 -6.070465      14.33436 
1 1 1 10  2  21 o 287.0891 7.204178 2420.930       121.2016 2264.523       169.4910 2584.606       173.3852 277.3926 10.43702 296.4177 9.987993 -19.02502      14.44616 
1 1 1 10  2  22 o 237.0049 7.551771 1651.010       104.8339 1652.212       156.4037 1650.029       141.2646 236.7500 11.29695 236.7070 10.19982 0.4302979E-01  15.22030 
1 1 1 10  2  23 o 395.6095 6.629273 4594.814       153.8095 4523.299       216.6626 4667.473       218.3866 392.2825 9.417473 398.4926 9.344481 -6.210022      13.26681 
1 1 1 10  2  24 f 572.1193 7.752265 9616.148       260.1152 9503.203       362.5396 9735.974       373.4184 568.2382 10.87864 575.1178 11.07104 -6.879639      15.52136 
1 1 1 10  2  25 o 260.0935 8.051830 1990.066       122.6736 2270.687       258.9745 1908.884       139.2924 276.5892 16.03382 254.5855 9.345033 22.00374       18.55837 
1 1 1 10  2  26 o 189.3892 7.763459 1055.977       86.04770 1156.268       126.0600 968.4804       117.7448 197.8264 10.90754 180.9657 11.14829 16.86070       15.59676 
1 1 1 10  2  27 o 145.0259 9.492950 621.7361       80.29771 581.2625       111.6289 665.1337       115.5910 139.5599 13.81974 149.4637 13.32637 -9.903763      19.19837 
1 1 1 10  2  28 o 258.1181 6.911121 1959.285       104.5265 1928.445       148.2558 1989.768       147.3937 255.6921 9.905264 259.7638 9.691968 -4.071671      13.85816 
1 1 1 10  2  29 o 371.9586 7.234902 4066.850       157.8257 4036.658       249.6269 4086.956       203.7073 369.7142 11.52672 372.4635 9.332853 -2.749359      14.83130 
1 1 1 10  2  30 o 220.8367 8.073284 1436.253       104.3856 1448.373       150.2713 1424.951       145.1109 221.2619 11.62102 219.5120 11.30988 1.749908       16.21609 
1 1 1 10  2  31 o 254.5488 7.992080 1907.393       119.1634 1732.330       162.2884 2112.201       175.5351 242.0698 11.46389 267.3926 11.21837 -25.32283      16.03972 
1 1 1 10  2  32 o 121.8107 19.31251 453.0008       133.3694 388.7967       147.5336 740.0308       311.9414 111.7664 23.26520 151.5628 35.68809 -39.79636      42.60176 
1 1 1 10  2  33 o 104.7105 16.32176 333.4042       96.96559 302.5860       146.3085 357.5435       129.4872 98.12344 25.27114 107.3732 21.31488 -9.249786      33.05986 
1 1 1 10  2  34 o 334.6700 7.339738 3294.728       144.0615 3232.314       205.1322 3355.468       202.3633 330.7582 10.58846 337.0862 10.24814 -6.327942      14.73566 
1 1 1 10  2  35 o 265.3974 7.963254 2076.089       123.8073 1939.942       177.1731 2206.015       173.0786 255.7385 11.84493 272.9959 10.83178 -17.25742      16.05085 
1 1 1 10  2  36 o 255.8728 7.984560 1930.747       119.6723 1927.137       169.6254 1934.324       168.8616 254.8955 11.37559 255.3900 11.30195 -0.4944611     16.03553 
1 1 1 10  2  37 o 104.0394 19.33813 336.5826       113.6526 339.2707       165.1555 334.1646       156.6405 102.6982 27.05021 102.0685 26.07577 0.6297302      37.57206 
1 1 1 10  2  38 o 107.1914 18.06748 355.8392       109.5472 453.0564       163.7101 277.0129       147.4143 119.1535 24.25276 92.82833 26.03121 26.32519       35.57837 
1 1 1 10  2  39 o 172.8699 11.08212 892.1456       111.7633 866.8724       154.5903 919.8203       161.7683 168.8627 15.79304 173.8863 16.04351 -5.023575      22.51254 
1 1 1 10  2  40 o 39.21920 18.39608 -98.84524      106.9022 -48.58186      141.7069 -165.2302      162.8547 50.62223 22.77368 46.94370 22.22781 3.678535       31.82320 
1 1 1 10  2  41 o 58.61021 22.24210 85.55640       105.3049 132.3055       144.2778 32.26051       154.0493 69.55103 26.11382 59.54740 25.29786 10.00363       36.35813 
1 1 1 10  2  42 o 154.9361 11.82747 725.3427       106.6596 763.2058       157.4764 693.2518       144.9767 156.3143 17.47648 149.2179 16.86136 7.096436       24.28442 
1 1 1 10  2  43 o 51.38560 20.67622 49.62917       95.50961 196.5011       141.7930 -72.35555      129.2225 77.38335 26.22939 45.59336 20.98335 31.78999       33.58991 
1 1 1 10  2  44 f 115.8912 14.73646 418.4847       97.89797 613.7072       146.4002 260.5800       131.6662 138.5412 18.47861 87.00507 24.67265 51.53613       30.82529 
1 1 1 10  2  45 o 100.9316 18.00467 329.5369       102.6671 303.9998       146.3059 354.3115       144.1055 92.82631 25.89783 101.0449 24.56034 -8.218613      35.69184 
1 1 1 10  2  46 o 187.7754 10.67076 1068.205       117.0289 1099.576       167.7930 1038.490       163.3059 187.3303 15.40878 181.9965 15.44564 5.333786       21.81739 
1 1 1 10  2  47 o 205.0836 10.51351 1274.893       126.0310 1400.625       182.7826 1160.940       174.0103 211.6515 14.81889 191.9809 15.58893 19.67056       21.50847 
1 1 1 10  2  48 o 125.8974 18.34499 519.0257       131.4717 654.5399       190.4517 395.6605       181.7141 136.2411 24.74681 101.7522 29.02835 34.48895       38.14511 
1 1 1 10  2  49 f 70.62621 26.99482 163.0611       155.8172 151.3349       206.0816 178.7121       238.0843 72.24100 29.87219 76.30101 31.87510 -4.060013      43.68489 
1 1 1 10  3  0  o 476.5630 12.74295 6687.193       355.8370 6112.553       471.8247 7445.130       541.8752 454.7295 17.72596 501.7606 18.44557 -47.03104      25.58219 
1 1 1 10  3  1  o 347.8146 11.11506 3560.069       226.4394 3829.085       325.5088 3307.810       315.2071 360.1482 15.44692 334.5874 16.11068 25.56076       22.31953 
1 1 1 10  3  2  o 206.2551 11.71429 1254.879       141.1179 1308.305       193.8185 1194.604       205.8678 210.1116 15.84554 200.4483 17.69345 9.663254       23.75162 
1 1 1 10  3  3  f 437.2964 17.27262 5648.104       442.1091 5648.104       442.1091 0.000000       0.000000 437.2964 17.27262 ?        ?        0.000000       17.27262 
1 1 1 10  3  4  o 374.1165 16.47715 4132.276       360.6393 4132.276       360.6393 0.000000       0.000000 374.1165 16.47715 ?        ?        0.000000       16.47715 
1 1 1 10  3  5  o 379.2153 16.79503 4244.613       372.5963 4244.613       372.5963 0.000000       0.000000 379.2153 16.79503 ?        ?        0.000000       16.79503 
1 1 1 10  3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3  8  o 89.88879 29.14269 231.7067       175.5544 231.7067       175.5544 0.000000       0.000000 89.88879 29.14269 ?        ?        0.000000       29.14269 
1 1 1 10  3  9  o 80.23227 24.99225 188.5758       130.1965 236.7191       185.9308 142.2577       182.3721 91.37472 30.01576 79.16977 29.43277 12.20495       42.03848 
1 1 1 10  3  10 o 881.1049 15.35132 22817.54       793.2751 22860.79       1126.273 22774.96       1117.500 880.9174 21.80007 879.2861 21.67039 1.631348       30.73839 
1 1 1 10  3  11 o 304.9670 9.554653 2732.278       170.6798 2596.098       243.1165 2864.630       239.6757 296.9410 13.99968 312.0251 13.12669 -15.08408      19.19117 
1 1 1 10  3  12 o 547.6834 14.89503 8820.918       477.9893 0.000000       0.000000 8820.918       477.9893 ?        ?        547.6834 14.89503 0.000000       14.89503 
1 1 1 10  3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  3  14 o 686.2155 10.46429 13823.80       421.1346 13918.54       732.0537 13776.94       514.8610 687.5508 18.17057 684.8597 12.81852 2.691101       22.23700 
1 1 1 10  3  15 o 694.8229 12.98159 14182.46       528.9962 15099.88       807.1614 13491.72       700.3784 715.9174 19.24159 676.9460 17.65627 38.97137       26.11480 
1 1 1 10  3  16 o 493.5153 10.93018 7151.785       316.3577 8186.628       511.5262 6510.794       402.5841 527.2915 16.56172 470.4029 14.61043 56.88864       22.08518 
1 1 1 10  3  17 o 344.6657 8.302154 3486.471       167.8183 3556.212       219.6610 3388.696       260.0904 347.8282 10.78109 339.3331 13.09373 8.495026       16.96106 
1 1 1 10  3  18 f 114.0692 15.61890 389.8707       101.7476 455.7599       154.7992 339.7522       135.0083 122.3769 22.39340 105.2979 22.54218 17.07898       31.77443 
1 1 1 10  3  19 o 668.5410 8.754898 13121.80       343.2651 12933.42       477.2886 13323.65       494.0453 663.3445 12.26850 673.2458 12.51246 -9.901245      17.52363 
1 1 1 10  3  20 o 605.5117 8.188139 10764.39       290.7758 10672.77       407.7430 10859.20       414.7855 602.5715 11.53792 607.7990 11.63625 -5.227417      16.38676 
1 1 1 10  3  21 o 334.3236 6.946138 3280.853       136.1949 3302.643       193.4973 3259.459       191.7323 335.1192 9.855922 332.9216 9.830570 2.197601       13.92046 
1 1 1 10  3  22 o 90.05441 17.20892 247.3656       87.57603 342.3470       131.3475 171.3460       117.5074 105.5403 21.93708 76.17299 23.74555 29.36735       32.32780 
1 1 1 10  3  23 o 358.4426 6.547309 3771.992       137.6363 3845.387       202.9348 3709.470       187.2984 361.5448 9.579144 355.1607 8.999294 6.384125       13.14334 
1 1 1 10  3  24 o 489.0381 8.386497 7028.564       240.5326 7175.911       446.5907 6968.355       285.4771 492.5927 15.47785 486.7121 10.00112 5.880585       18.42786 
1 1 1 10  3  25 o 52.02872 18.97680 65.53838       75.21180 -90.83512      110.3845 201.0450       102.7559 41.48347 19.19902 80.72481 21.37173 -39.24134      28.72896 
1 1 1 10  3  26 o 444.9995 6.781774 5817.167       176.9919 5826.301       249.4371 5807.904       251.1807 444.9590 9.558516 444.2425 9.640859 0.7165527      13.57613 
1 1 1 10  3  27 o 48.32160 18.72166 44.75890       75.66267 30.38858       107.4492 58.89306       106.5626 52.93303 21.69554 56.58338 22.13400 -3.650345      30.99371 
1 1 1 10  3  28 o 322.1528 6.501446 3049.118       122.8351 3058.150       177.4820 3040.814       170.1782 322.1585 9.403709 321.3020 9.040069 0.8564453      13.04426 
1 1 1 10  3  29 o 270.5516 6.851009 2152.478       108.6190 2108.740       152.5715 2197.427       154.6709 267.4027 9.745048 272.9859 9.676206 -5.583191      13.73299 
1 1 1 10  3  30 o 286.3481 7.433257 2412.092       124.7259 2501.819       181.6482 2332.053       171.5617 291.1445 10.65627 281.1193 10.42394 10.02527       14.90687 
1 1 1 10  3  31 o 212.9580 9.148412 1337.340       113.9924 1179.195       155.7633 1519.714       167.2704 199.2829 13.40537 226.4882 12.64300 -27.20537      18.42686 
1 1 1 10  3  32 o 180.9810 9.939062 967.8533       105.0893 966.6054       146.8372 969.1636       150.4666 180.1907 14.00471 180.3647 14.34257 -0.1739960     20.04598 
1 1 1 10  3  33 o 131.6132 12.69598 516.9000       96.78289 524.3854       148.1254 511.3239       127.8462 130.9713 19.91039 129.9647 17.19448 1.006638       26.30729 
1 1 1 10  3  34 o 55.50665 21.05325 67.65922       94.31869 26.91248       148.3832 95.28426       122.1771 60.06715 25.13368 64.00657 24.03096 -3.939423      34.77340 
1 1 1 10  3  35 o 183.4131 9.540303 995.1762       102.2699 1062.920       155.6495 943.7119       135.6643 188.5985 14.17586 177.8998 13.09464 10.69865       19.29831 
1 1 1 10  3  36 o 269.0151 7.969395 2134.007       125.5953 2253.662       180.0404 2020.579       175.2921 275.7331 11.15651 260.9777 11.48081 14.75543       16.00864 
1 1 1 10  3  37 o 184.9317 10.25115 1014.516       110.7470 867.4445       154.6168 1169.463       158.7029 169.6021 15.72344 197.7153 13.77266 -28.11319      20.90246 
1 1 1 10  3  38 o 200.0738 10.32488 1188.805       120.7409 1344.631       173.9848 1044.042       167.6956 211.6981 14.09366 185.9647 15.51720 25.73344       20.96223 
1 1 1 10  3  39 o 29.81806 14.86940 -265.9806      104.8309 -296.8855      149.4202 -236.0226      147.1133 38.33216 18.86777 40.47639 19.66150 -2.144238      27.25009 
1 1 1 10  3  40 o 44.92717 19.76143 -16.87894      100.7411 -25.47658      147.9422 -9.445429      137.5623 53.66056 23.75987 53.17565 23.24901 0.4849129      33.24226 
1 1 1 10  3  41 o 64.43005 22.09279 124.7552       100.6440 30.08665       148.9169 204.3530       136.5500 58.51502 24.86658 79.36266 25.69994 -20.84764      35.76079 
1 1 1 10  3  42 o 188.0723 9.824667 1057.921       107.9903 992.0956       157.7038 1116.039       148.1830 179.7347 15.10047 191.6652 13.26453 -11.93056      20.09906 
1 1 1 10  3  43 o 45.70990 19.80040 1.243881       97.85143 -53.19548      141.2575 51.46666       135.6768 49.34671 22.41560 57.99668 24.13237 -8.649967      32.93676 
1 1 1 10  3  44 f 46.82119 20.05857 11.92600       98.29935 200.3176       141.4489 -164.0408      136.7050 77.33217 26.19768 41.03936 19.68820 36.29280       32.77108 
1 1 1 10  3  45 o 97.76019 17.93527 309.4670       99.04185 346.3595       148.8481 280.1560       132.6754 99.33498 25.44085 89.74171 24.51789 9.593269       35.33219 
1 1 1 10  3  46 o 50.65556 21.23143 35.60781       106.1560 65.14877       157.1099 10.79129       143.9997 61.06591 25.72603 54.20478 23.74069 6.861130       35.00642 
1 1 1 10  3  47 o 217.9642 9.896910 1434.523       126.1829 1490.730       188.3246 1388.732       169.9811 218.3843 14.79126 211.6243 13.77050 6.760025       20.20910 
1 1 1 10  3  48 o 105.1777 22.43089 383.3250       134.1384 351.8693       180.8294 421.8113       200.0194 95.60654 29.39875 103.5742 30.72209 -7.967690      42.52215 
1 1 1 10  3  49 o 129.4923 21.79010 573.1443       159.6132 497.3436       198.7187 710.9565       267.9452 113.5401 29.55861 130.7673 34.45987 -17.22727      45.40038 
1 1 1 10  4  0  o 540.7079 11.34810 8595.124       359.8622 8955.626       632.8845 8422.881       437.4640 550.1929 19.64520 534.7336 13.96131 15.45929       24.10087 
1 1 1 10  4  1  o 173.2599 13.15682 888.2692       132.6907 982.0729       178.5155 772.4576       198.3544 181.7228 16.94538 160.1610 21.67275 21.56174       27.51098 
1 1 1 10  4  2  o 376.6779 11.41105 4174.674       251.7938 4165.263       349.5378 4184.824       363.0255 375.6593 15.90131 376.4510 16.48284 -0.7916870     22.90274 
1 1 1 10  4  3  o 277.6845 14.86205 2276.585       241.1549 2276.585       241.1549 0.000000       0.000000 277.6845 14.86205 ?        ?        0.000000       14.86205 
1 1 1 10  4  4  o 257.8934 15.76813 1965.639       237.3505 1965.639       237.3505 0.000000       0.000000 257.8934 15.76813 ?        ?        0.000000       15.76813 
1 1 1 10  4  5  o 475.0220 18.26015 6660.193       507.7608 6660.193       507.7608 0.000000       0.000000 475.0220 18.26015 ?        ?        0.000000       18.26015 
1 1 1 10  4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4  7  o 421.2152 13.45229 5219.543       331.8894 5219.543       331.8894 0.000000       0.000000 421.2152 13.45229 ?        ?        0.000000       13.45229 
1 1 1 10  4  8  o 181.5455 17.83347 979.1123       187.4290 979.1123       187.4290 0.000000       0.000000 181.5455 17.83347 ?        ?        0.000000       17.83347 
1 1 1 10  4  9  o 632.0377 16.62660 11754.76       615.7716 11754.76       615.7716 0.000000       0.000000 632.0377 16.62660 ?        ?        0.000000       16.62660 
1 1 1 10  4  10 o 332.9857 9.179047 3256.482       179.0850 3216.169       253.6695 3296.539       252.8613 330.6476 13.10731 334.7762 12.90302 -4.128540      18.39264 
1 1 1 10  4  11 f 670.7802 12.24354 13212.74       481.6570 14808.10       781.3525 12234.95       611.7041 709.1983 18.80235 644.9423 16.18502 64.25604       24.80894 
1 1 1 10  4  12 o 923.2202 13.11346 25034.94       710.0243 26106.51       1293.569 24572.89       849.4169 941.0733 23.43774 914.3155 15.84070 26.75781       28.28878 
1 1 1 10  4  13 o 909.4390 15.89610 24314.02       847.8416 27898.57       1425.271 22350.91       1054.757 972.0605 25.02158 871.2039 20.64343 100.8566       32.43811 
1 1 1 10  4  14 o 679.3622 10.42432 13549.15       415.3362 13552.20       715.0798 13547.60       510.2233 678.4488 17.98747 679.1285 12.81026 -0.6796875     22.08284 
1 1 1 10  4  15 o 837.2457 14.97720 20605.63       735.4177 20668.22       1052.005 20545.82       1028.469 837.1755 21.44413 834.7825 21.02390 2.393066       30.03090 
1 1 1 10  4  16 o 1260.720 17.59044 46775.69       1300.606 43873.95       2040.433 48761.50       1687.961 1217.411 28.57819 1285.774 22.38449 -68.36304      36.30122 
1 1 1 10  4  17 o 341.2112 7.741854 3416.602       154.9240 3296.233       225.0655 3524.995       213.5770 334.8001 11.47931 346.3116 10.52790 -11.51144      15.57598 
1 1 1 10  4  18 f 265.4186 8.019769 2069.504       124.6939 1962.044       181.0027 2166.570       172.0272 258.1347 11.98880 271.3808 10.83030 -13.24603      16.15633 
1 1 1 10  4  19 o 744.4900 9.513159 16276.80       415.3690 16148.55       583.1820 16408.85       591.7527 741.0190 13.41913 746.9531 13.50817 -5.934082      19.04058 
1 1 1 10  4  20 o 644.2904 8.526327 12189.00       322.1768 12174.76       456.7030 12203.11       454.5580 643.4752 12.10184 644.2343 12.03081 -0.7590942     17.06444 
1 1 1 10  4  21 o 260.4868 7.341722 1993.569       112.0471 1959.837       161.7895 2024.660       155.3253 257.9887 10.71632 262.2859 10.11653 -4.297211      14.73716 
1 1 1 10  4  22 o 96.54642 15.37170 281.6046       84.12240 283.0924       130.5879 280.5493       109.9823 95.73815 23.44735 95.56589 20.25319 0.1722641      30.98339 
1 1 1 10  4  23 o 604.6962 8.071619 10742.15       286.2520 11536.85       440.0671 10159.27       376.8809 625.9743 11.98704 587.6124 10.93610 38.36188       16.22613 
1 1 1 10  4  24 o 671.8796 8.676190 13269.49       341.8779 13428.62       491.3503 13120.14       475.9922 675.0438 12.41105 667.3105 12.16246 7.733215       17.37699 
1 1 1 10  4  25 o 289.5281 6.502834 2461.827       110.4190 2555.395       163.4992 2383.364       149.7211 294.5787 9.476089 284.5417 8.983201 10.03705       13.05734 
1 1 1 10  4  26 o 147.0930 9.345615 639.1830       80.20451 621.3105       119.4833 653.8411       108.2060 144.2901 14.30776 148.3424 12.55537 -4.052338      19.03547 
1 1 1 10  4  27 f 374.8276 6.475340 4127.354       142.3458 4150.727       203.2552 4104.856       199.4145 375.5366 9.228664 373.4742 9.104281 2.062439       12.96365 
1 1 1 10  4  28 o 375.6241 6.633762 4145.713       146.1382 4171.593       211.1130 4121.902       202.4975 376.2661 9.574635 374.1933 9.227268 2.072876       13.29722 
1 1 1 10  4  29 o 461.0531 7.956001 6251.613       215.1277 5844.339       329.4334 6554.418       284.0577 444.6168 12.64657 471.6285 10.26966 -27.01175      16.29115 
1 1 1 10  4  30 o 499.8317 7.804869 7346.363       228.7915 6969.790       311.4930 7787.520       337.1477 486.2074 10.92386 513.8708 11.18705 -27.66348      15.63589 
1 1 1 10  4  31 o 227.5076 8.760681 1525.321       116.6734 1629.547       169.9085 1432.324       160.4958 234.5962 12.39331 219.8823 12.49725 14.71387       17.60044 
1 1 1 10  4  32 o 74.65866 21.13644 171.4161       96.70993 188.5977       134.1731 152.8376       139.5205 79.60200 25.44733 74.60705 25.99162 4.994949       36.37487 
1 1 1 10  4  33 o 371.6838 7.144774 4062.126       155.7445 4526.089       241.6001 3732.233       203.7238 391.5724 10.53001 355.7173 9.774580 35.85507       14.36745 
1 1 1 10  4  34 o 283.4379 7.588603 2365.648       126.0316 2491.558       193.7798 2273.343       165.9174 290.1346 11.41054 277.3773 10.21676 12.75729       15.31609 
1 1 1 10  4  35 o 278.7555 7.634800 2289.395       124.6988 2342.958       183.7546 2243.672       169.7754 281.2503 11.16241 275.3690 10.53199 5.881287       15.34673 
1 1 1 10  4  36 o 256.1358 7.855731 1934.510       117.8674 2006.681       172.0929 1870.740       161.7655 260.1102 11.30821 251.2040 11.00688 8.906158       15.78059 
1 1 1 10  4  37 o 121.9014 13.98460 448.3263       98.17082 422.3111       150.3655 467.6539       129.6053 115.6705 22.97556 123.2999 18.49257 -7.629387      29.49325 
1 1 1 10  4  38 o 123.9338 14.63434 465.6886       104.3195 460.7956       156.0838 469.6388       140.2442 120.5863 22.90771 122.7321 20.18501 -2.145752      30.53191 
1 1 1 10  4  39 o 194.6675 9.813039 1126.802       111.6721 1031.481       166.3788 1204.950       150.6469 184.3089 15.53676 200.3357 12.89028 -16.02681      20.18787 
1 1 1 10  4  40 o 273.4699 8.265882 2216.704       132.4190 2243.740       197.1404 2194.478       178.7455 273.3571 12.32861 270.8518 11.27727 2.505219       16.70842 
1 1 1 10  4  41 o 171.0063 10.56957 876.4880       105.4854 828.7359       151.6388 921.2624       146.8349 164.0148 15.96622 173.6906 14.54813 -9.675766      21.60019 
1 1 1 10  4  42 o 101.7780 17.11669 327.1364       98.54782 252.8779       135.0555 411.6986       144.1211 86.67786 25.11888 111.7379 22.76634 -25.06000      33.90080 
1 1 1 10  4  43 o 129.1282 18.40671 530.9604       135.4536 108.4313       335.1929 613.4273       148.0833 82.46163 36.16589 138.7870 18.66591 -56.32537      40.69875 
1 1 1 10  4  44 o 179.7554 10.22462 972.8017       107.3457 1008.273       157.3748 941.9384       146.7963 180.3599 15.01404 174.6293 14.46293 5.730515       20.84701 
1 1 1 10  4  45 o 175.0148 10.12670 923.6307       103.4986 998.5506       147.3084 850.5915       145.4477 179.7349 14.08725 165.1229 15.18935 14.61201       20.71635 
1 1 1 10  4  46 o 40.21856 18.52149 -56.45829      100.9049 -140.8052      156.8008 3.161396       131.8282 45.66680 21.67791 51.55754 22.64421 -5.890743      31.34793 
1 1 1 10  4  47 o 73.17415 23.27464 184.3372       112.3529 25.84409       165.3596 320.2478       153.1266 58.16639 25.45909 93.62173 26.62709 -35.45534      36.83975 
1 1 1 10  4  48 o 55.81174 22.61031 70.74962       115.0772 10.46984       157.3677 140.0330       168.7114 55.46474 24.53450 68.92978 27.56764 -13.46503      36.90416 
1 1 1 10  4  49 o 101.6149 24.98656 373.4238       147.8497 396.6825       189.2208 336.9646       236.9084 100.6747 29.88610 90.82442 33.58681 9.850288       44.95835 
1 1 1 10  5  0  o 514.6925 13.33034 7798.821       402.0443 8359.887       591.0586 7315.682       548.4788 531.8364 18.98012 497.5007 18.83217 34.33569       26.73753 
1 1 1 10  5  1  o 382.3729 11.43513 4301.419       256.1477 4157.007       349.1458 4469.743       376.9445 375.3193 15.89791 389.1033 16.55601 -13.78400      22.95311 
1 1 1 10  5  2  o 431.4930 11.99030 5477.575       303.1328 5565.954       429.2030 5389.613       428.1879 434.2701 16.88420 427.2859 17.12165 6.984192       24.04636 
1 1 1 10  5  3  o 616.9566 15.28554 11204.54       553.0774 11269.86       782.1860 11139.22       782.1531 617.1978 21.64252 613.5739 21.77024 3.623901       30.69759 
1 1 1 10  5  4  o 585.8781 20.79486 10144.42       713.3861 10144.42       713.3861 0.000000       0.000000 585.8781 20.79486 ?        ?        0.000000       20.79486 
1 1 1 10  5  5  o 154.3410 19.71958 713.5404       174.4247 713.5404       174.4247 0.000000       0.000000 154.3410 19.71958 ?        ?        0.000000       19.71958 
1 1 1 10  5  6  o 545.9213 19.83383 8794.249       633.9642 8794.249       633.9642 0.000000       0.000000 545.9213 19.83383 ?        ?        0.000000       19.83383 
1 1 1 10  5  7  o 541.2181 15.13175 8618.623       479.8278 8618.623       479.8278 0.000000       0.000000 541.2181 15.13175 ?        ?        0.000000       15.13175 
1 1 1 10  5  8  f 513.5095 14.66107 7756.010       441.0825 7756.010       441.0825 0.000000       0.000000 513.5095 14.66107 ?        ?        0.000000       14.66107 
1 1 1 10  5  9  o 600.1793 16.02693 10596.88       563.6286 10596.88       563.6286 0.000000       0.000000 600.1793 16.02693 ?        ?        0.000000       16.02693 
1 1 1 10  5  10 o 725.6921 12.94120 15467.28       550.7792 15604.78       788.2037 15336.07       769.9557 728.0803 18.47394 721.8213 18.20255 6.259033       25.93491 
1 1 1 10  5  11 o 384.9866 9.261082 4349.759       209.1019 4685.830       312.0245 4075.796       281.7212 399.1857 13.34671 372.2992 12.92218 26.88654       18.57734 
1 1 1 10  5  12 o 570.0798 9.170822 9537.781       306.6157 9980.537       553.7929 9342.060       368.2013 582.4297 16.22844 564.0912 11.12975 18.33856       19.67826 
1 1 1 10  5  13 o 611.2540 16.62163 10994.94       595.3091 10994.94       595.3091 0.000000       0.000000 611.2540 16.62163 ?        ?        0.000000       16.62163 
1 1 1 10  5  14 o 489.6470 11.69518 7040.647       335.8464 6739.436       443.3704 7446.147       514.4291 478.5135 15.82047 502.8040 17.47177 -24.29044      23.57011 
1 1 1 10  5  15 o 792.0557 21.09460 18500.49       979.0181 0.000000       0.000000 18500.49       979.0181 ?        ?        792.0557 21.09460 0.000000       21.09460 
1 1 1 10  5  16 o 833.1095 12.18699 20388.92       595.4553 19576.49       977.7267 20867.91       750.7430 814.7755 20.47733 842.4254 15.19530 -27.64990      25.49937 
1 1 1 10  5  17 o 155.2642 15.73464 716.3632       141.3017 715.8948       224.4638 716.6707       181.8568 153.5484 25.84268 154.5765 20.57037 -1.028030      33.03005 
1 1 1 10  5  18 o 354.6570 7.281960 3691.224       151.4633 3543.848       214.5795 3837.566       213.8253 347.1993 10.55026 361.3507 10.09964 -14.15140      14.60516 
1 1 1 10  5  19 o 908.5506 11.23476 24256.92       598.6367 23978.71       834.0569 24552.51       859.7267 902.4052 15.75954 913.0668 16.05489 -10.66162      22.49717 
1 1 1 10  5  20 o 675.5331 8.855466 13401.91       350.8396 13168.87       486.2005 13655.09       506.7622 669.1529 12.38909 681.3463 12.68194 -12.19336      17.72911 
1 1 1 10  5  21 o 100.4197 15.58490 304.1946       88.81166 336.2740       137.2000 281.0582       116.5168 104.4864 23.01260 95.57751 21.32824 8.908867       31.37632 
1 1 1 10  5  22 o 450.4430 6.946611 5957.042       183.5115 6297.921       275.6353 5685.645       245.9442 462.8306 10.15459 439.8254 9.534672 23.00525       13.92931 
1 1 1 10  5  23 o 157.3810 9.039218 730.4238       83.08122 633.1639       132.8404 792.9080       106.4752 145.5774 15.81287 163.7663 11.15251 -18.18892      19.35007 
1 1 1 10  5  24 o 418.1316 6.690050 5134.373       164.0563 5139.059       236.4116 5130.021       227.8467 417.9904 9.643883 417.6672 9.301691 0.3231812      13.39873 
1 1 1 10  5  25 o 419.7033 6.642167 5173.737       163.4943 5165.843       234.5061 5181.203       228.0604 419.0246 9.542543 419.6869 9.265609 -0.6623230     13.30081 
1 1 1 10  5  26 o 149.7091 9.395043 662.1356       82.07340 590.3551       127.2639 713.2469       107.3893 140.3380 15.73304 155.0684 11.89920 -14.73042      19.72611 
1 1 1 10  5  27 o 280.1598 6.705163 2306.154       110.1706 2298.463       166.3098 2312.167       147.0680 279.1516 10.17547 280.1662 8.962121 -1.014648      13.55949 
1 1 1 10  5  28 f 237.1516 10.27870 1660.265       142.6206 1689.118       169.4462 1590.156       264.1285 238.8962 12.13380 230.0094 19.77197 8.886749       23.19827 
1 1 1 10  5  29 o 428.3148 7.022010 5391.805       176.3904 5525.121       259.6049 5277.478       240.4072 433.0275 10.22226 423.3162 9.683494 9.711304       14.08065 
1 1 1 10  5  30 o 268.8982 7.814170 2127.963       123.1006 2276.771       181.9510 2002.353       167.1681 277.6312 11.19767 260.3731 10.97189 17.25812       15.67706 
1 1 1 10  5  31 o 418.5164 9.135167 5155.909       224.2227 5172.258       259.7887 5108.161       443.9706 418.7742 10.58615 413.8027 18.33963 4.971527       21.17566 
1 1 1 10  5  32 o 32.09587 15.72158 -193.7730      99.82767 -369.9900      153.9468 -65.90838      131.1361 37.03204 18.39270 48.21779 21.78031 -11.18575      28.50743 
1 1 1 10  5  33 o 148.8360 11.56770 658.1758       100.1808 671.9965       160.4430 649.3442       128.2554 148.8467 18.79784 147.1594 15.07339 1.687286       24.09493 
1 1 1 10  5  34 o 244.8565 8.114497 1767.192       116.3653 1799.985       177.9470 1742.692       153.8098 246.2911 12.35895 242.6628 10.83495 3.628296       16.43593 
1 1 1 10  5  35 o 57.19456 20.98134 80.93919       92.14089 -86.41429      143.8573 197.3524       119.9819 49.09433 22.42426 79.83257 23.82245 -30.73824      32.71630 
1 1 1 10  5  36 o 452.5817 7.529899 6032.289       199.8650 6020.667       278.3234 6044.664       287.1886 451.2259 10.51732 452.0092 10.83352 -0.7833252     15.09898 
1 1 1 10  5  37 o 285.7893 7.891520 2409.540       132.1421 2262.554       184.8614 2563.116       188.9603 276.0084 11.44503 293.9436 10.98045 -17.93524      15.86061 
1 1 1 10  5  38 o 94.78083 19.47315 282.4342       104.6218 377.6838       155.6933 204.0138       141.2710 108.1985 25.03301 81.11143 26.12968 27.08703       36.18579 
1 1 1 10  5  39 o 38.54803 17.78668 -67.13277      93.70271 -191.5240      145.3064 21.41935       122.5997 42.24121 20.27352 53.76918 22.69279 -11.52797      30.42989 
1 1 1 10  5  40 o 43.52671 19.14426 -16.05642      94.53334 -103.1785      149.3862 42.13410       122.0879 48.02150 22.26309 55.66269 23.00231 -7.641190      32.01174 
1 1 1 10  5  41 o 131.6265 18.39450 545.2310       138.1256 1272.641       398.4691 445.8886       147.2558 185.4349 37.92020 117.0006 22.27356 68.43433       43.97787 
1 1 1 10  5  42 o 238.3282 8.257317 1688.468       115.2414 1588.797       152.4313 1821.437       176.0629 229.7988 11.34542 245.5674 12.26374 -15.76860      16.70682 
1 1 1 10  5  43 f 146.0353 12.28032 649.1636       104.2029 746.6221       148.2967 554.1161       146.4509 154.4230 16.63672 131.1864 19.63810 23.23662       25.73783 
1 1 1 10  5  44 o 45.52888 19.67146 4.951035       96.08734 -67.91962      142.1915 66.19440       130.3548 48.10357 22.09189 58.46703 23.92233 -10.36346      32.56270 
1 1 1 10  5  45 o 59.14344 21.12905 105.0421       92.64783 7.011583       129.7286 207.0877       132.3586 51.81418 22.61710 77.64932 25.31413 -25.83514      33.94611 
1 1 1 10  5  46 o 84.31697 20.76182 240.7809       101.9738 140.0728       155.7065 316.4156       134.9383 68.88650 26.81025 94.92520 24.17609 -26.03870      36.10087 
1 1 1 10  5  47 o 122.8536 15.70495 479.6914       110.5712 361.3903       166.5880 572.8505       147.8298 98.71411 27.66903 131.6337 19.75830 -32.91960      33.99950 
1 1 1 10  5  48 o 116.2305 18.84392 446.6080       124.0576 227.7251       176.9766 658.0696       173.9505 79.26428 29.07793 138.7854 22.11268 -59.52115      36.53077 
1 1 1 10  5  49 o 82.88280 25.49389 250.7859       135.9701 328.7289       192.3785 172.9849       192.2032 91.28969 30.55058 73.38668 29.39920 17.90301       42.39872 
1 1 1 10  6  0  o 224.9941 10.29585 1490.134       135.4975 1560.564       183.2000 1405.079       201.3245 229.9368 13.64659 217.8753 15.86442 12.06145       20.92628 
1 1 1 10  6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  2  o 569.1094 14.36323 9533.982       479.0172 9658.316       679.7849 9411.355       675.1045 571.7249 20.30599 564.3323 20.43163 7.392578       28.80598 
1 1 1 10  6  3  o 153.9702 13.17542 702.0065       117.8315 718.7175       155.6710 679.5873       180.3084 155.2528 17.39569 150.3204 21.02696 4.932404       27.28998 
1 1 1 10  6  4  o 332.2093 15.12174 3253.049       293.8486 3253.049       293.8486 0.000000       0.000000 332.2093 15.12174 ?        ?        0.000000       15.12174 
1 1 1 10  6  5  o 676.8922 23.32948 13543.44       924.7524 13543.44       924.7524 0.000000       0.000000 676.8922 23.32948 ?        ?        0.000000       23.32948 
1 1 1 10  6  6  o 794.0853 15.86258 18544.50       738.7397 18544.50       738.7397 0.000000       0.000000 794.0853 15.86258 ?        ?        0.000000       15.86258 
1 1 1 10  6  7  o 500.2289 11.53155 7348.016       338.3040 7348.016       338.3040 0.000000       0.000000 500.2289 11.53155 ?        ?        0.000000       11.53155 
1 1 1 10  6  8  o 296.5402 14.19336 2589.665       246.1255 2589.665       246.1255 0.000000       0.000000 296.5402 14.19336 ?        ?        0.000000       14.19336 
1 1 1 10  6  9  f 404.0433 13.27463 4800.326       314.1312 4800.326       314.1312 0.000000       0.000000 404.0433 13.27463 ?        ?        0.000000       13.27463 
1 1 1 10  6  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  12 o 402.2609 14.40350 4760.828       339.2539 4760.828       339.2539 0.000000       0.000000 402.2609 14.40350 ?        ?        0.000000       14.40350 
1 1 1 10  6  13 o 983.9213 17.21698 28475.33       993.4998 27255.19       1313.143 30108.76       1519.347 961.3940 23.28949 1009.543 25.68233 -48.14929      34.66961 
1 1 1 10  6  14 o 1165.365 28.67812 40177.20       1960.031 0.000000       0.000000 40177.20       1960.031 ?        ?        1165.365 28.67812 0.000000       28.67812 
1 1 1 10  6  15 o 829.1059 12.24189 20192.34       595.2629 19944.18       1016.813 20321.73       734.2307 822.3393 21.10078 831.3922 15.05831 -9.052856      25.92287 
1 1 1 10  6  16 o 728.0328 13.26667 15576.29       566.4525 16744.99       885.8629 14767.90       736.7582 753.5391 20.06304 708.0629 17.75601 45.47620       26.79181 
1 1 1 10  6  17 o 200.2618 9.967707 1180.488       116.7016 1185.413       175.1272 1176.554       156.5181 200.2005 15.02512 199.6171 13.44802 0.5834351      20.16441 
1 1 1 10  6  18 o 416.2346 7.145661 5084.338       174.4340 5097.925       250.5459 5071.558       243.0009 416.6189 10.25411 415.5582 9.970695 1.060730       14.30250 
1 1 1 10  6  19 f 219.9221 8.717910 1422.387       112.2201 1364.410       166.4919 1470.655       151.9142 214.9677 13.27064 223.3802 11.63598 -8.412552      17.64953 
1 1 1 10  6  20 o 109.4779 15.20138 359.7458       94.97256 312.3510       146.6075 394.0165       124.6671 100.6207 24.96399 113.9479 19.34610 -13.32720      31.58279 
1 1 1 10  6  21 o 216.8854 7.937867 1383.202       100.7979 1294.525       151.5161 1453.607       135.0074 209.3786 12.39433 222.1295 10.39217 -12.75090      16.17457 
1 1 1 10  6  22 o 754.8870 9.524398 16750.34       421.6674 16723.65       595.5190 16777.16       597.1397 753.3834 13.47811 754.5838 13.49329 -1.200378      19.07167 
1 1 1 10  6  23 o 345.7441 6.488074 3509.803       131.5592 3763.869       201.1942 3320.029       173.8848 357.6411 9.600865 335.9697 8.832583 21.67148       13.04573 
1 1 1 10  6  24 o 37.63181 16.83871 -33.14630      76.33292 -57.24625      128.0086 -19.84798      95.08884 48.42476 21.72640 44.20639 19.32846 4.218376       29.07965 
1 1 1 10  6  25 o 142.9558 9.429415 603.8541       78.61493 547.0330       127.9402 638.3220       99.64587 134.9227 16.51231 146.7089 11.67746 -11.78621      20.22423 
1 1 1 10  6  26 o 259.0344 6.757731 1972.653       102.5741 2159.829       152.8392 1819.257       138.3623 270.7023 9.642427 248.4329 9.513964 22.26944       13.54592 
1 1 1 10  6  27 o 273.4908 6.862600 2199.297       109.9863 2250.016       158.5724 2152.275       152.6830 276.2416 9.803405 270.1905 9.650910 6.051117       13.75670 
1 1 1 10  6  28 o 230.9593 7.710266 1570.214       104.2908 1689.176       156.1653 1474.448       140.1155 239.0662 11.16909 223.3907 10.72609 15.67551       15.48540 
1 1 1 10  6  29 o 210.7463 8.004474 1308.097       98.75365 1249.186       147.2188 1356.291       133.1553 205.3256 12.28171 214.2468 10.63046 -8.921265      16.24337 
1 1 1 10  6  30 f 126.4588 13.77561 478.4203       100.5173 344.7260       146.7289 596.6465       137.9800 105.0064 24.30670 140.7274 17.06646 -35.72108      29.69982 
1 1 1 10  6  31 o 412.4436 7.614079 5001.679       184.1757 5139.750       267.8527 4877.857       253.6545 417.3586 10.95246 406.6493 10.64500 10.70932       15.27326 
1 1 1 10  6  32 o 78.75341 25.98372 181.0979       139.2770 126.2045       152.3108 461.2791       344.1042 72.35159 26.89786 122.2326 40.85805 -49.88103      48.91702 
1 1 1 10  6  33 o 270.5205 7.700898 2154.765       122.0534 2120.576       183.0526 2182.130       163.7715 267.6507 11.68976 271.7994 10.29259 -4.148773      15.57523 
1 1 1 10  6  34 o 127.9972 13.21330 490.7462       97.76472 435.5833       158.2073 524.8245       124.3486 117.8504 23.71204 131.6803 16.46015 -13.82989      28.86516 
1 1 1 10  6  35 o 153.7732 11.39140 703.5007       102.0031 926.7399       156.3640 538.1246       134.5823 175.6812 15.32950 132.9080 17.70584 42.77325       23.41987 
1 1 1 10  6  36 o 142.1388 12.28351 603.6400       101.3928 636.2982       148.2382 574.9295       138.9903 144.5208 17.86988 137.3340 17.66529 7.186737       25.12757 
1 1 1 10  6  37 o 187.4773 10.25414 1043.167       112.3161 940.3761       162.3546 1137.513       155.5422 176.4829 15.85477 194.9050 13.69455 -18.42207      20.95028 
1 1 1 10  6  38 o 57.98829 21.77856 80.74760       100.3650 124.3038       154.4983 48.94645       132.0141 71.03390 26.94464 58.85096 24.07614 12.18293       36.13412 
1 1 1 10  6  39 o 178.5370 10.28370 950.3145       107.2227 981.8232       161.5792 925.5220       143.3277 179.6497 15.48691 174.9336 14.08940 4.716141       20.93694 
1 1 1 10  6  40 o 163.1672 10.71425 797.5342       101.9614 919.0793       158.2888 711.3361       133.3001 173.1691 15.75823 152.4631 15.10626 20.70595       21.82936 
1 1 1 10  6  41 o 134.2763 12.90381 548.2956       100.3679 533.9052       154.6775 558.7614       131.9091 128.7546 21.22273 133.7654 17.21289 -5.010742      27.32559 
1 1 1 10  6  42 o 80.97186 25.08393 218.7498       131.3549 317.6190       338.4128 201.2119       142.5298 97.74635 39.06010 78.43386 26.29696 19.31249       47.08738 
1 1 1 10  6  43 o 166.2990 10.62595 833.6724       103.0932 769.8813       149.0084 892.2442       142.7825 156.8502 16.44262 170.1457 14.44522 -13.29553      21.88662 
1 1 1 10  6  44 o 43.01342 18.99584 -13.34102      93.96812 -65.80273      138.9942 30.82144       127.5270 47.62569 21.86123 54.08821 22.99941 -6.462528      31.73147 
1 1 1 10  6  45 o 169.4445 10.38099 867.8704       102.6662 762.4056       144.3195 975.9246       146.0804 155.5858 16.04619 177.5047 14.14942 -21.91895      21.39361 
1 1 1 10  6  46 o 41.92338 19.19170 -49.36612      106.1483 69.32796       166.1036 -131.2988      138.0044 62.31994 26.36328 42.68766 20.28485 19.63228       33.26406 
1 1 1 10  6  47 o 47.95024 20.92906 5.808740       111.0705 98.34347       174.8177 -56.83030      143.8320 65.62338 27.35635 48.43047 22.23352 17.19292       35.25194 
1 1 1 10  6  48 o 94.21513 21.57505 306.5089       116.6402 415.7320       169.8182 208.9611       160.4854 105.6920 27.22875 76.65501 27.75504 29.03700       38.88120 
1 1 1 10  6  49 o 86.41912 23.99000 268.6231       125.8855 51.43068       181.3768 470.4888       174.8601 61.41654 26.77691 112.6330 26.85175 -51.21649      37.92123 
1 1 1 10  7  0  o 575.7518 14.33760 9749.532       484.1304 9918.285       687.1005 9583.151       682.2529 579.5108 20.24771 569.5819 20.45712 9.928894       28.78304 
1 1 1 10  7  1  o 230.4262 10.29666 1562.422       138.7971 1644.783       185.1078 1456.646       209.7757 236.1546 13.42052 221.8773 16.23333 14.27722       21.06256 
1 1 1 10  7  2  o 455.0977 12.25905 6090.213       326.9011 6243.947       464.3400 5939.141       460.3025 460.1937 17.23507 448.7634 17.52310 11.43033       24.57858 
1 1 1 10  7  3  o 761.3439 18.15398 17069.93       810.5940 18005.42       1190.720 16261.95       1106.603 779.7452 26.07460 741.1505 25.49659 38.59473       36.46862 
1 1 1 10  7  4  o 839.9670 19.77572 20787.49       974.1931 21444.64       1408.963 20185.56       1348.462 850.5865 28.28361 825.3307 27.89876 25.25580       39.72787 
1 1 1 10  7  5  o 472.3002 17.65405 6573.391       488.1439 6573.391       488.1439 0.000000       0.000000 472.3002 17.65405 ?        ?        0.000000       17.65405 
1 1 1 10  7  6  o 643.9390 22.34478 12237.88       842.5833 12237.88       842.5833 0.000000       0.000000 643.9390 22.34478 ?        ?        0.000000       22.34478 
1 1 1 10  7  7  o 981.8954 19.24393 28376.25       1108.178 28376.25       1108.178 0.000000       0.000000 981.8954 19.24393 ?        ?        0.000000       19.24393 
1 1 1 10  7  8  o 441.8388 11.09669 5734.984       287.3189 5734.984       287.3189 0.000000       0.000000 441.8388 11.09669 ?        ?        0.000000       11.09669 
1 1 1 10  7  9  o 1167.266 28.18568 40254.60       1929.518 40254.60       1929.518 0.000000       0.000000 1167.266 28.18568 ?        ?        0.000000       28.18568 
1 1 1 10  7  10 o 327.8334 12.93615 3161.510       248.2307 0.000000       0.000000 3161.510       248.2307 ?        ?        327.8334 12.93615 0.000000       12.93615 
1 1 1 10  7  11 o 714.2634 18.24097 15018.81       763.4865 0.000000       0.000000 15018.81       763.4865 ?        ?        714.2634 18.24097 0.000000       18.24097 
1 1 1 10  7  12 o 325.2415 8.903088 3106.756       169.6635 3485.846       317.2325 2954.880       200.7939 343.9881 15.76668 317.0662 10.81399 26.92188       19.11885 
1 1 1 10  7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  7  14 o 1026.130 14.60898 30949.75       879.1697 31587.46       1565.079 30655.74       1062.681 1034.049 25.80742 1020.667 17.75286 13.38147       31.32390 
1 1 1 10  7  15 o 633.0302 18.47549 11808.42       685.1821 0.000000       0.000000 11808.42       685.1821 ?        ?        633.0302 18.47549 0.000000       18.47549 
1 1 1 10  7  16 o 323.4740 9.946298 3075.081       188.4669 3236.464       292.8625 2961.002       246.2275 331.3955 15.10812 317.1353 13.26789 14.26025       20.10702 
1 1 1 10  7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  7  18 o 148.2250 12.11300 650.0715       104.3814 422.6132       158.3932 824.6844       138.7790 117.4390 23.81297 166.8156 14.32377 -49.37657      27.78899 
1 1 1 10  7  19 o 424.8536 7.203786 5298.061       179.4943 5200.726       253.7515 5395.536       253.9351 420.7230 10.28399 428.5450 10.10359 -7.821960      14.41677 
1 1 1 10  7  20 o 331.2020 6.994775 3219.990       135.8680 3089.782       193.1566 3347.508       191.1518 324.0914 10.17490 337.4003 9.670094 -13.30890      14.03707 
1 1 1 10  7  21 o 482.0100 7.170985 6821.371       202.7148 6644.774       282.2583 7009.489       291.3204 475.4372 10.12285 488.3047 10.17254 -12.86752      14.35105 
1 1 1 10  7  22 o 458.3282 6.940427 6168.128       186.5578 6424.423       279.3224 5961.729       250.6633 467.3935 10.18996 450.3335 9.490869 17.05997       13.92523 
1 1 1 10  7  23 o 237.2758 7.042608 1654.961       97.89411 1641.705       150.8224 1664.611       128.6845 235.9173 10.93044 237.7581 9.246324 -1.840851      14.31674 
1 1 1 10  7  24 o 218.7138 9.703052 1410.097       124.1517 1325.713       138.8930 1745.524       276.9173 211.8652 11.21814 241.5678 19.71749 -29.70262      22.68537 
1 1 1 10  7  25 o 88.74264 23.57637 244.1820       124.7741 337.5906       146.0207 -8.577753      240.2010 104.0931 24.35404 72.34502 31.17902 31.74804       39.56325 
1 1 1 10  7  26 o 346.3217 6.477254 3523.368       131.5592 3720.514       196.3898 3362.879       177.1932 355.3994 9.430519 337.9506 8.947990 17.44873       13.00005 
1 1 1 10  7  27 o 283.2572 8.718198 2363.046       144.6575 2221.218       162.4675 2905.629       317.7737 274.4088 10.11257 312.1897 17.42512 -37.78088      20.14693 
1 1 1 10  7  28 o 449.4734 6.991979 5937.594       184.3124 5857.759       255.7738 6023.832       265.8313 445.9600 9.779341 452.1870 10.02392 -6.227020      14.00409 
1 1 1 10  7  29 o 396.1092 6.989430 4611.320       162.3705 4661.564       230.2651 4561.629       228.9934 397.8183 9.869448 393.3962 9.933216 4.422150       14.00267 
1 1 1 10  7  30 o 370.9422 7.405106 4044.957       161.0972 3901.504       226.3044 4192.333       229.3784 363.6750 10.62171 377.0462 10.38296 -13.37122      14.85351 
1 1 1 10  7  31 o 155.8604 12.26690 721.7092       111.2267 733.5948       167.1136 712.2565       149.0313 155.8471 18.65374 153.9642 16.77569 1.882858       25.08756 
1 1 1 10  7  32 o 250.9796 7.928633 1854.915       116.5580 1776.331       168.3243 1927.309       161.5596 244.9812 11.74983 255.3799 10.81133 -10.39874      15.96695 
1 1 1 10  7  33 f 235.5368 12.44796 1645.644       171.3416 1595.289       191.0149 1853.017       387.6355 231.5108 14.13581 244.8341 27.46928 -13.32332      30.89308 
1 1 1 10  7  34 o 323.8510 7.410021 3086.594       140.7392 3063.893       201.7819 3108.099       196.3980 321.8543 10.70476 324.2630 10.34058 -2.408630      14.88353 
1 1 1 10  7  35 o 159.2744 10.99498 753.8874       102.0747 710.4586       150.9060 790.5167       138.5899 153.1519 17.09194 162.2844 14.72144 -9.132492      22.55782 
1 1 1 10  7  36 o 170.6848 10.50027 864.8828       104.6016 753.7055       152.0675 964.7303       144.1109 157.7804 16.68612 179.5361 13.79220 -21.75565      21.64836 
1 1 1 10  7  37 o 243.5818 8.472981 1753.199       120.8564 1813.372       178.9484 1702.734       163.8779 246.6667 12.40977 239.2152 11.71667 7.451538       17.06701 
1 1 1 10  7  38 o 31.29925 15.28854 -167.9453      92.46254 -234.3205      142.1604 -119.2789      121.7280 39.60475 19.25861 41.53298 19.52828 -1.928234      27.42713 
1 1 1 10  7  39 f 205.0736 9.056648 1248.934       108.6564 1342.600       161.0355 1170.652       147.2190 211.2289 13.06315 197.2933 12.79231 13.93564       18.28357 
1 1 1 10  7  40 o 60.96992 21.66889 105.8401       97.32105 -90.94626      144.5733 268.9049       131.6045 47.82103 22.07539 90.08600 24.33840 -42.26497      32.85849 
1 1 1 10  7  41 o 182.2989 9.902523 993.9090       105.4743 885.8638       161.5508 1074.181       139.2482 169.1631 16.49290 188.3856 12.67731 -19.22253      20.80216 
1 1 1 10  7  42 o 50.02046 20.20098 44.36428       91.53633 -55.16972      139.0559 120.4742       121.5974 48.91386 22.22732 65.12477 24.06621 -16.21091      32.76028 
1 1 1 10  7  43 o 48.23473 20.06295 30.14842       93.72652 -4.863430      138.1428 60.01286       127.5845 52.58351 23.13456 57.52434 23.61629 -4.940830      33.05960 
1 1 1 10  7  44 o 35.98711 17.03630 -96.96182      95.57040 19.20093       144.5970 -187.0706      127.3531 55.55177 24.06664 37.82892 18.35641 17.72285       30.26815 
1 1 1 10  7  45 o 111.3934 16.50255 395.7455       104.5542 487.6915       163.4897 332.1198       136.0004 118.8027 24.28520 97.77367 23.91771 21.02908       34.08560 
1 1 1 10  7  46 o 115.9170 17.46396 434.2720       115.0416 287.5393       179.2836 536.9766       149.9934 87.84947 29.49371 126.7486 20.90627 -38.89912      36.15178 
1 1 1 10  7  47 o 62.75721 23.04435 121.9398       111.1944 -68.37563      187.1280 225.8169       138.2488 54.28273 25.07844 79.47415 25.86866 -25.19142      36.02937 
1 1 1 10  7  48 o 57.02172 25.25433 14.61513       167.2384 20.49969       183.2973 -14.62228      408.5722 59.44858 26.37828 75.73773 35.66248 -16.28915      44.35793 
1 1 1 10  7  49 o 53.53842 22.40189 51.00179       117.8805 99.09209       122.2090 -592.0272      446.8786 59.94015 23.62604 62.26135 30.99181 -2.321198      38.97027 
1 1 1 10  8  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  8  1  o 436.4870 11.81328 5600.474       302.1292 5569.088       416.7686 5635.237       438.6186 434.7723 16.37417 437.2531 17.13742 -2.480774      23.70242 
1 1 1 10  8  2  o 726.3021 17.35936 15524.34       739.4376 15649.11       1048.471 15400.87       1042.996 727.4946 24.60944 721.6780 24.67904 5.816589       34.85225 
1 1 1 10  8  3  o 378.4472 11.18803 4209.501       248.0460 4319.805       345.1122 4091.627       356.7576 382.9887 15.39607 372.6138 16.36532 10.37491       22.46914 
1 1 1 10  8  4  o 624.8538 15.36546 11478.68       563.0858 11889.60       810.9562 11096.13       782.4555 634.7455 21.81691 613.1782 21.79283 21.56726       30.83675 
1 1 1 10  8  5  o 1106.958 21.36416 36101.24       1386.972 36101.24       1386.972 0.000000       0.000000 1106.958 21.36416 ?        ?        0.000000       21.36416 
1 1 1 10  8  6  o 233.4474 10.71254 1603.253       146.2760 1603.253       146.2760 0.000000       0.000000 233.4474 10.71254 ?        ?        0.000000       10.71254 
1 1 1 10  8  7  f 468.1640 11.08261 6434.688       304.2919 6434.688       304.2919 0.000000       0.000000 468.1640 11.08261 ?        ?        0.000000       11.08261 
1 1 1 10  8  8  o 315.9048 10.52684 2932.717       194.7592 2932.717       194.7592 0.000000       0.000000 315.9048 10.52684 ?        ?        0.000000       10.52684 
1 1 1 10  8  9  o 551.3791 12.56917 8928.496       406.4504 8928.496       406.4504 0.000000       0.000000 551.3791 12.56917 ?        ?        0.000000       12.56917 
1 1 1 10  8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  8  11 o 557.6217 9.221165 9125.843       301.5616 9715.433       558.0376 8882.646       358.4000 574.5654 16.57783 550.0347 11.11034 24.53070       19.95656 
1 1 1 10  8  12 o 951.9712 13.65858 26626.62       762.5702 28220.40       1424.252 25986.12       902.8910 977.5349 24.86319 940.0504 16.37697 37.48456       29.77219 
1 1 1 10  8  13 o 997.6962 17.63034 29288.12       1031.596 28857.81       1423.574 29763.95       1496.985 988.7682 24.54908 1003.610 25.45379 -14.84222      35.36316 
1 1 1 10  8  14 o 663.8078 18.30140 12981.18       711.8075 12981.18       711.8075 0.000000       0.000000 663.8078 18.30140 ?        ?        0.000000       18.30140 
1 1 1 10  8  15 o 832.8808 21.52892 20472.09       1050.730 0.000000       0.000000 20472.09       1050.730 ?        ?        832.8808 21.52892 0.000000       21.52892 
1 1 1 10  8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  8  17 f 836.3029 12.08024 20554.42       592.5016 20385.34       1012.183 20642.56       730.7921 831.0682 20.76690 837.6177 14.87639 -6.549438      25.54548 
1 1 1 10  8  18 o 369.7030 7.994115 4012.442       173.3301 4061.785       301.1779 3988.006       211.9476 371.3010 13.85508 368.3413 9.820084 2.959625       16.98226 
1 1 1 10  8  19 o 182.4980 10.47942 981.9594       111.6905 958.0148       203.2613 992.3164       133.6812 179.0148 19.68490 183.2514 12.51372 -4.236603      23.32570 
1 1 1 10  8  20 f 422.6931 6.972191 5244.957       172.8403 5074.226       241.9890 5422.763       246.9526 415.5249 9.929973 429.5706 9.802313 -14.04575      13.95313 
1 1 1 10  8  21 o 397.6847 6.829931 4643.200       159.2963 4474.332       223.7454 4816.779       226.8445 390.0186 9.789525 404.8185 9.554708 -14.79996      13.67945 
1 1 1 10  8  22 o 539.5939 7.527671 8552.136       238.2200 8554.753       340.8780 8549.638       333.0464 539.2075 10.77935 539.0875 10.53404 0.1200562      15.07184 
1 1 1 10  8  23 o 71.85486 18.55794 158.8513       78.74987 20.30511       128.1629 242.8875       99.81548 56.04790 23.39838 88.74331 19.69301 -32.69540      30.58266 
1 1 1 10  8  24 o 227.4924 7.426779 1522.247       98.95449 1406.383       148.1981 1615.465       132.9293 218.1578 11.62498 234.1140 9.702531 -15.95619      15.14197 
1 1 1 10  8  25 o 529.0938 7.430379 8227.065       230.5654 8525.583       340.8552 7975.259       313.0534 537.9466 10.80389 520.4144 10.25696 17.53223       14.89729 
1 1 1 10  8  26 o 86.40467 15.53436 227.7799       75.82562 282.4757       124.8834 195.8416       95.42966 95.22772 22.68586 79.50822 20.37445 15.71951       30.49207 
1 1 1 10  8  27 o 387.8723 6.646419 4420.570       151.1914 4604.898       226.0597 4271.388       203.3695 395.4160 9.748065 380.9338 9.103027 14.48224       13.33754 
1 1 1 10  8  28 o 251.9378 7.143488 1867.160       105.4424 1905.033       159.5423 1837.786       140.5021 253.9811 10.73506 249.6259 9.615139 4.355194       14.41153 
1 1 1 10  8  29 o 161.8712 10.60535 775.5641       100.1259 796.2592       154.1213 760.4512       131.7051 163.0050 16.34188 159.6870 14.21146 3.318054       21.65693 
1 1 1 10  8  30 o 224.8163 8.840662 1489.641       116.3364 1476.904       173.2441 1500.101       157.0015 223.1394 13.29861 225.1393 11.93317 -1.999893      17.86767 
1 1 1 10  8  31 o 208.1481 9.267868 1278.195       112.8528 1271.903       167.6550 1283.407       152.6011 206.8565 13.90034 208.0491 12.56523 -1.192581      18.73778 
1 1 1 10  8  32 o 220.1693 8.650828 1429.283       111.4856 1442.128       172.3789 1420.047       146.1715 220.3195 13.40419 219.0112 11.41954 1.308289       17.60904 
1 1 1 10  8  33 o 97.21592 17.77489 290.6739       97.60992 236.8331       155.0421 326.0266       125.6333 87.84332 27.25843 102.2172 21.63262 -14.37386      34.79931 
1 1 1 10  8  34 o 155.1941 12.42292 718.0530       112.1270 661.9387       195.1400 745.7118       137.0016 145.8709 23.61685 157.5933 15.00387 -11.72240      27.97984 
1 1 1 10  8  35 f 74.63318 21.57353 172.9360       99.73814 86.41292       162.8031 224.9200       126.1918 68.36397 27.16663 84.63068 24.20552 -16.26671      36.38589 
1 1 1 10  8  36 o 83.34511 20.53849 218.7002       99.73383 326.4536       165.3064 157.0291       125.0591 100.7690 27.29979 73.19019 24.63342 27.57877       36.77069 
1 1 1 10  8  37 o 56.15736 21.91087 63.63330       104.2055 137.9352       175.7092 23.32193       129.4220 75.24662 28.68924 55.67767 23.39639 19.56895       37.01978 
1 1 1 10  8  38 o 218.6237 9.018062 1416.829       115.3792 1317.193       173.0627 1496.549       154.8019 209.1163 14.19538 223.8413 11.83399 -14.72496      18.48113 
1 1 1 10  8  39 o 73.79436 20.20524 174.2694       89.99179 223.3051       140.3277 140.0156       117.2849 83.04478 25.95838 68.72041 23.83706 14.32437       35.24263 
1 1 1 10  8  40 o 39.30661 17.89400 -47.36891      90.63287 -222.8597      137.7914 86.45198       120.3252 38.81654 18.89456 60.78019 23.59253 -21.96365      30.22601 
1 1 1 10  8  41 o 71.08492 21.09320 163.4361       94.27332 108.6460       146.7449 201.9401       123.0169 66.48120 25.98327 78.37251 24.27409 -11.89130      35.55787 
1 1 1 10  8  42 o 67.86610 21.25785 148.3374       94.05788 203.2913       153.6199 115.3816       118.9637 78.84819 27.28430 64.03968 23.77852 14.80851       36.19186 
1 1 1 10  8  43 o 148.5060 11.47869 669.2098       99.19849 729.4915       154.8370 627.2412       129.1947 151.7040 17.73755 141.6396 15.82282 10.06442       23.76936 
1 1 1 10  8  44 o 131.1071 13.68210 531.5134       103.6567 415.8938       158.2055 618.4833       137.2114 109.3398 25.18997 139.5908 17.11825 -30.25104      30.45602 
1 1 1 10  8  45 o 54.50813 21.70993 67.47010       104.1999 -214.9459      165.3341 253.5613       134.2087 43.51316 21.06737 84.78822 25.16940 -41.27506      32.82274 
1 1 1 10  8  46 o 68.65022 21.95867 158.6943       99.89561 281.4388       160.3124 80.78020       127.7245 87.47493 27.79940 58.95321 23.84302 28.52172       36.62371 
1 1 1 10  8  47 o 63.16859 23.13315 124.8261       111.9347 109.0378       115.8448 346.9370       434.5035 61.14537 23.29919 93.00500 40.96963 -31.85963      47.13134 
1 1 1 10  8  48 o 56.95707 23.21320 73.77386       122.1526 56.05817       127.5304 270.6389       425.1275 55.59772 23.28474 88.04464 39.54078 -32.44691      45.88739 
1 1 1 10  9  0  o 912.1010 21.25335 24517.00       1136.896 24456.07       1600.275 24579.08       1615.460 908.2255 30.08501 910.4389 30.29704 -2.213440      42.69682 
1 1 1 10  9  1  o 337.8107 10.42382 3353.450       206.2676 3694.428       291.5070 3011.536       291.9063 354.2895 14.05734 319.6655 15.61758 34.62402       21.01232 
1 1 1 10  9  2  o 753.7602 17.88955 16716.94       790.8300 16853.37       1121.203 16581.87       1115.622 755.1282 25.35301 748.9955 25.43419 6.132690       35.91202 
1 1 1 10  9  3  o 235.8817 10.02269 1636.210       138.3370 1651.963       182.2782 1614.810       212.4442 236.7741 13.17852 233.8596 15.57839 2.914520       20.40489 
1 1 1 10  9  4  o 785.1786 18.58054 18140.86       855.6131 18338.33       1215.250 17946.75       1204.856 787.6390 26.34509 779.1609 26.40495 8.478088       37.29993 
1 1 1 10  9  5  o 390.1617 8.915489 4467.295       204.0047 4629.910       246.8589 4117.024       362.3015 396.9943 10.61216 373.8367 16.56600 23.15762       19.67359 
1 1 1 10  9  6  o 1034.078 20.09912 31477.88       1218.936 31477.88       1218.936 0.000000       0.000000 1034.078 20.09912 ?        ?        0.000000       20.09912 
1 1 1 10  9  7  o 339.7751 10.58066 3392.228       210.5838 3392.228       210.5838 0.000000       0.000000 339.7751 10.58066 ?        ?        0.000000       10.58066 
1 1 1 10  9  8  o 767.2659 15.66023 17303.62       704.6844 17303.62       704.6844 0.000000       0.000000 767.2659 15.66023 ?        ?        0.000000       15.66023 
1 1 1 10  9  9  o 837.9104 16.93108 20646.08       832.0181 20646.08       832.0181 0.000000       0.000000 837.9104 16.93108 ?        ?        0.000000       16.93108 
1 1 1 10  9  10 o 714.1316 24.75060 15064.96       1035.041 15064.96       1035.041 0.000000       0.000000 714.1316 24.75060 ?        ?        0.000000       24.75060 
1 1 1 10  9  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  9  13 o 820.9993 15.13738 19817.21       728.8597 18247.45       919.3563 22473.15       1195.851 786.8079 19.93952 872.3976 23.39399 -85.58966      30.73862 
1 1 1 10  9  14 o 636.0710 10.04476 11878.57       374.7103 12105.61       675.4318 11777.62       450.3715 641.0065 17.98449 633.1851 12.12801 7.821411       21.69172 
1 1 1 10  9  15 o 1090.600 26.88669 35205.88       1719.703 0.000000       0.000000 35205.88       1719.703 ?        ?        1090.600 26.88669 0.000000       26.88669 
1 1 1 10  9  16 o 213.9862 10.80533 1348.405       135.1657 1526.545       224.3327 1246.875       169.3591 227.0680 16.96828 205.4286 14.14346 21.63936       22.08982 
1 1 1 10  9  17 o 880.1982 12.59797 22777.71       650.3265 22540.20       1106.848 22902.94       803.6769 873.3985 21.60851 882.0182 15.53651 -8.619751      26.61411 
1 1 1 10  9  18 o 580.4741 9.208807 9896.270       313.4994 9884.743       540.2537 9902.121       384.9378 579.0123 15.92473 580.4133 11.30844 -1.400940      19.53145 
1 1 1 10  9  19 o 518.7179 8.580968 7902.340       261.0466 7604.048       428.2864 8078.663       329.2820 507.9203 14.39217 524.2467 10.70981 -16.32642      17.93975 
1 1 1 10  9  20 o 247.3112 7.323492 1797.398       106.1045 1738.994       162.9319 1840.406       139.8157 242.8721 11.47115 250.0684 9.550925 -7.196381      14.92674 
1 1 1 10  9  21 o 131.1205 10.62098 508.9881       80.97575 568.6748       140.7975 479.4883       98.98418 137.5369 17.87788 126.8505 13.51303 10.68645       22.41028 
1 1 1 10  9  22 f 70.83026 25.97945 121.7302       141.2600 32.32131       168.7538 331.0468       258.2052 64.71520 26.91967 106.4428 35.38838 -41.72759      44.46354 
1 1 1 10  9  23 o 131.9243 10.69639 515.6899       82.04922 455.8966       131.7793 553.5443       104.8526 122.5514 18.94534 136.3458 13.28065 -13.79443      23.13659 
1 1 1 10  9  24 o 260.5020 8.709637 1997.880       132.8772 1883.617       253.5425 2041.147       156.0201 251.4513 17.29818 263.1282 10.12919 -11.67683      20.04564 
1 1 1 10  9  25 f 326.5004 6.486976 3131.490       124.2157 3491.480       193.5318 2879.301       161.9835 344.2661 9.594694 312.7184 8.841030 31.54773       13.04691 
1 1 1 10  9  26 o 320.7130 6.496239 3021.826       122.1881 3239.402       189.3735 2866.640       159.9333 331.5273 9.750378 312.0099 8.748811 19.51740       13.10006 
1 1 1 10  9  27 o 69.83337 18.18950 150.5318       75.22536 -14.24347      132.6390 228.6632       91.33515 53.17643 23.04376 86.00912 18.64556 -32.83269      29.64240 
1 1 1 10  9  28 o 41.91334 17.98955 -4.004898      79.34025 -86.75056      137.9426 36.90156       96.98883 48.10433 21.96687 51.59483 20.80917 -3.490501      30.25831 
1 1 1 10  9  29 o 111.2057 14.89746 372.6200       94.71864 351.6374       153.9810 385.3925       120.1367 105.9381 25.15981 112.2686 18.91776 -6.330452      31.47853 
1 1 1 10  9  30 o 248.3791 8.515356 1817.231       123.8585 2185.459       199.8291 1587.512       157.8332 271.7223 12.57367 231.6597 11.65453 40.06258       17.14425 
1 1 1 10  9  31 o 372.9042 7.496990 4089.001       163.9588 4056.838       235.1449 4119.434       228.7336 370.7238 10.82680 373.6596 10.44792 -2.935760      15.04588 
1 1 1 10  9  32 o 503.0122 7.710346 7443.753       227.4589 7451.667       317.4378 7435.402       326.0875 502.5027 10.77134 501.8620 11.07897 0.6406555      15.45203 
1 1 1 10  9  33 o 184.6819 9.596576 1008.547       103.5854 895.8514       159.2740 1091.153       136.3637 172.7396 15.90009 191.6393 12.19616 -18.89970      20.03894 
1 1 1 10  9  34 f 253.6293 8.125413 1896.935       120.7076 1925.687       180.1888 1873.529       162.5789 254.6864 12.09804 251.4619 11.05105 3.224533       16.38561 
1 1 1 10  9  35 o 370.4096 8.181973 4043.779       177.7423 3903.003       280.4445 4138.291       229.7875 362.1998 13.22446 373.9626 10.48762 -11.76279      16.87829 
1 1 1 10  9  36 o 55.19779 21.80045 55.95304       104.2400 26.92530       162.3863 76.29799       135.9475 61.93528 26.12675 63.06392 24.89966 -1.128635      36.09156 
1 1 1 10  9  37 o 34.74175 16.59496 -122.7883      94.85828 -238.1059      164.1086 -64.92804      116.2448 43.96731 21.21417 44.42519 20.24008 -0.4578819     29.32067 
1 1 1 10  9  38 o 218.5884 8.523159 1415.457       109.0549 1436.445       167.8611 1400.130       143.4529 218.6921 13.14852 216.5601 11.33430 2.132065       17.35943 
1 1 1 10  9  39 o 44.66398 19.31625 -2.613776      92.82472 36.75115       149.0500 -27.55485      118.6410 59.53047 25.06709 47.75274 21.20346 11.77773       32.83208 
1 1 1 10  9  40 o 59.20031 20.85628 100.8442       89.99554 78.53806       134.7365 118.8120       120.9264 61.62780 24.63980 65.31786 24.02373 -3.690060      34.41307 
1 1 1 10  9  41 o 127.0187 12.54117 490.8527       92.20578 440.7211       143.6712 525.9623       120.2340 116.1757 21.88923 130.0592 16.10682 -13.88354      27.17661 
1 1 1 10  9  42 o 42.20161 18.63902 -15.45576      90.49089 -64.69924      151.8043 11.68725       112.7039 50.38881 23.02305 49.82665 21.41428 0.5621567      31.44253 
1 1 1 10  9  43 o 106.8911 16.44191 362.0233       99.77523 390.3778       159.4263 343.7671       127.9248 105.8111 25.90308 101.2274 22.16368 4.583679       34.09103 
1 1 1 10  9  44 o 129.1619 13.24602 514.6946       98.91911 653.2491       154.5365 418.5181       128.7523 142.2095 19.00430 112.7325 20.21672 29.47694       27.74670 
1 1 1 10  9  45 o 91.29299 27.00125 301.9842       154.6841 293.3674       168.7145 347.4227       387.4307 89.38585 28.53127 94.90585 40.21083 -5.520004      49.30460 
1 1 1 10  9  46 o 115.6225 17.30087 432.0406       113.7164 424.3278       117.3103 552.1632       462.9591 114.0619 18.14366 105.1477 44.22125 8.914230       47.79866 
1 1 1 10  9  47 o 150.8485 14.17034 712.7420       123.8957 761.1508       128.1221 15.10630       486.3808 155.9249 14.16508 80.92471 38.34602 75.00024       40.87868 
1 1 1 10  9  48 o 44.28333 20.49549 -65.50444      125.8109 -33.57599      129.2084 -648.7882      552.2577 47.36279 21.48431 68.37579 34.10202 -21.01300      40.30537 
1 1 1 10  10 0  o 740.2199 17.56846 16117.22       762.6845 16232.06       1079.992 16002.97       1077.211 741.2899 24.87697 736.0095 24.99179 5.280457       35.26263 
1 1 1 10  10 1  o 327.5997 10.10937 3153.278       193.9983 3284.374       266.5732 3005.672       282.8608 334.0831 13.63405 319.4337 15.14188 14.64941       20.37557 
1 1 1 10  10 2  o 168.3175 10.55234 834.9325       103.6425 1016.605       131.9290 542.0714       167.5047 185.6610 12.18360 133.9020 22.10024 51.75905       25.23610 
1 1 1 10  10 3  o 869.4219 20.34308 22254.59       1037.284 22621.56       1481.496 21901.69       1452.808 874.3114 28.93225 860.2990 28.83516 14.01245       40.84779 
1 1 1 10  10 4  f 679.1498 11.94484 13544.04       475.7692 13400.75       549.4835 13973.21       950.9544 675.3861 13.87241 688.0584 23.60083 -12.67230      27.37596 
1 1 1 10  10 5  o 380.8992 8.887775 4257.639       198.5426 4272.271       236.2139 4222.420       366.4632 381.3474 10.57191 378.6099 16.54389 2.737549       19.63328 
1 1 1 10  10 6  o 76.90887 22.55202 177.2036       108.2967 177.2036       108.2967 0.000000       0.000000 76.90887 22.55202 ?        ?        0.000000       22.55202 
1 1 1 10  10 7  o 165.2625 14.48137 808.6318       138.9401 808.6318       138.9401 0.000000       0.000000 165.2625 14.48137 ?        ?        0.000000       14.48137 
1 1 1 10  10 8  o 394.2330 10.98944 4566.491       253.8371 4566.491       253.8371 0.000000       0.000000 394.2330 10.98944 ?        ?        0.000000       10.98944 
1 1 1 10  10 9  o 665.9983 14.26847 13033.64       557.3155 13033.64       557.3155 0.000000       0.000000 665.9983 14.26847 ?        ?        0.000000       14.26847 
1 1 1 10  10 10 o 311.2369 17.85540 2859.317       324.5524 2859.317       324.5524 0.000000       0.000000 311.2369 17.85540 ?        ?        0.000000       17.85540 
1 1 1 10  10 11 o 529.1171 12.49125 8223.528       387.6219 7431.220       596.0452 8804.182       510.2586 501.8839 20.29185 546.9603 15.92380 -45.07632      25.79393 
1 1 1 10  10 12 o 733.8391 18.70486 15864.49       804.3624 0.000000       0.000000 15864.49       804.3624 ?        ?        733.8391 18.70486 0.000000       18.70486 
1 1 1 10  10 13 o 869.7899 15.71444 22250.41       801.6114 21452.25       1071.916 23263.16       1207.447 852.6920 21.45176 887.5129 23.21752 -34.82098      31.61062 
1 1 1 10  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10 15 o 721.7936 10.75997 15301.95       455.4857 14871.56       755.4058 15547.82       570.9521 710.2870 18.14896 727.2485 13.38648 -16.96149      22.55178 
1 1 1 10  10 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  10 17 o 599.7074 11.80706 10572.55       415.2711 10715.36       577.4819 10419.61       597.5986 602.8395 16.34885 594.2892 17.16392 8.550354       23.70412 
1 1 1 10  10 18 f 783.2804 11.41926 18038.13       524.5726 16778.33       818.6304 18915.82       683.2921 753.8293 18.51673 801.4604 14.53697 -47.63110      23.54130 
1 1 1 10  10 19 o 356.4350 7.627529 3730.376       159.4464 3530.482       267.1175 3841.025       198.7355 346.0535 13.18572 361.4396 9.383321 -15.38608      16.18363 
1 1 1 10  10 20 o 533.0595 7.560910 8344.732       236.3743 7991.941       321.7195 8758.572       348.4451 521.3098 10.52279 545.6859 10.88782 -24.37610      15.14179 
1 1 1 10  10 21 o 790.1844 11.57640 18381.43       536.4786 18041.16       634.4523 19235.11       1004.919 782.1830 13.83057 804.2999 21.32288 -22.11688      25.41554 
1 1 1 10  10 22 o 269.9767 6.917301 2142.102       109.4349 2045.709       164.5766 2218.504       146.5208 263.4190 10.67508 274.5303 9.112987 -11.11124      14.03580 
1 1 1 10  10 23 o 171.1723 8.195435 863.2319       82.03375 865.6958       134.9606 861.7882       103.3088 170.7209 13.59150 170.7894 10.36273 -0.6854248E-01 17.09138 
1 1 1 10  10 24 o 144.0102 9.494688 612.9348       79.74339 510.6392       129.3056 675.7186       101.3008 130.0768 17.38477 150.9712 11.52829 -20.89442      20.85981 
1 1 1 10  10 25 o 93.92704 13.15680 265.5920       70.49055 278.6441       127.5903 259.8579       84.56883 94.54718 23.18938 92.30297 16.21360 2.244209       28.29537 
1 1 1 10  10 26 o 294.4398 6.544357 2547.183       113.0093 2864.277       179.8100 2340.153       145.2905 311.6924 9.848783 281.8629 8.799971 29.82944       13.20750 
1 1 1 10  10 27 o 326.3173 6.733696 3129.080       128.8677 3080.520       183.6421 3176.192       180.8821 323.2664 9.697337 328.3032 9.404112 -5.036804      13.50836 
1 1 1 10  10 28 o 180.2891 8.882184 958.9111       93.62693 939.9422       154.0951 970.0118       117.8810 177.5158 14.93987 181.0200 11.15790 -3.504211      18.64668 
1 1 1 10  10 29 o 406.2605 7.409438 4851.951       176.5389 4802.342       253.4677 4898.690       246.0260 403.4872 10.72080 407.6098 10.29992 -4.122559      14.86687 
1 1 1 10  10 30 o 145.5731 12.46522 630.4324       105.3987 631.5143       165.2238 629.6900       136.8625 144.0837 20.09897 144.7339 16.41310 -0.6501617     25.94915 
1 1 1 10  10 31 o 177.4273 9.984942 930.7272       103.4810 686.7926       163.3537 1094.229       133.7378 150.5528 18.91738 192.1112 11.92885 -41.55840      22.36437 
1 1 1 10  10 32 o 267.3590 7.900527 2105.338       123.7442 1928.486       188.1688 2240.102       164.2592 254.9922 12.62182 275.3951 10.18761 -20.40289      16.22029 
1 1 1 10  10 33 o 248.9576 8.349539 1827.781       121.7372 1829.574       186.6313 1826.453       160.6091 248.1234 12.86925 248.3420 11.05502 -0.2186279     16.96558 
1 1 1 10  10 34 o 46.90045 20.08120 -0.2207834     98.41944 -24.61052      162.6066 13.87979       123.6383 57.60396 25.22874 53.87166 22.76504 3.732304       33.98141 
1 1 1 10  10 35 o 330.0740 7.709509 3209.622       149.2411 3116.323       213.9597 3298.027       208.2728 324.2014 11.27010 333.7229 10.65498 -9.521576      15.50947 
1 1 1 10  10 36 o 174.7715 11.43967 909.7897       116.6114 1120.185       189.2237 780.9589       148.0702 192.3344 16.94842 160.6701 15.92306 31.66425       23.25495 
1 1 1 10  10 37 o 128.5370 13.52779 498.7342       100.4507 539.3587       164.2052 474.4400       126.9824 130.7924 22.19979 123.9916 17.98676 6.800743       28.57191 
1 1 1 10  10 38 o 50.93665 20.11900 49.55855       88.78622 73.61315       143.1151 34.50788       113.2046 62.93932 25.31521 53.47321 22.12851 9.466106       33.62336 
1 1 1 10  10 39 o 117.5751 13.51479 421.5610       91.49854 370.7580       141.4844 458.0822       119.9602 106.3741 23.32305 121.1874 17.37467 -14.81337      29.08339 
1 1 1 10  10 40 o 235.7178 8.278080 1650.326       114.2609 1625.099       170.4703 1670.904       153.9659 231.9884 12.57648 235.9663 11.15721 -3.977982      16.81223 
1 1 1 10  10 41 o 51.23454 20.21035 54.68496       89.48914 91.55637       157.4405 37.08714       108.7680 65.53960 26.48433 52.23174 21.65951 13.30787       34.21336 
1 1 1 10  10 42 o 145.3780 11.74385 641.5970       99.27737 621.8221       157.3348 654.6793       127.9698 138.8809 19.88325 145.2050 15.25464 -6.324127      25.06088 
1 1 1 10  10 43 o 44.22297 19.31730 -4.012408      94.78209 -147.6379      158.4825 75.96510       118.2631 46.02877 21.83349 58.00641 23.12024 -11.97765      31.80011 
1 1 1 10  10 44 o 83.15913 20.32630 231.5609       98.28374 266.6594       101.4964 -296.6771      393.7506 89.58465 19.84160 68.02170 32.83027 21.56295       38.36034 
1 1 1 10  10 45 o 51.87230 20.90826 55.99622       97.84907 71.84729       100.9508 -190.1232      397.7898 54.55495 21.48239 70.82094 33.87079 -16.26598      40.10890 
1 1 1 10  10 46 o 41.79824 19.25974 -57.80218      109.3251 -80.40278      113.4146 238.7439       410.8235 40.93320 19.11814 87.90035 39.21653 -46.96715      43.62842 
1 1 1 10  10 47 o 51.10204 22.94542 -16.74422      143.0824 -16.74422      143.0824 0.000000       0.000000 51.10204 22.94542 ?        ?        0.000000       22.94542 
1 1 1 10  10 48 o 46.39817 21.22699 -46.18568      129.5892 -48.57559      131.8222 22.56905       707.0483 46.61443 21.35711 86.92295 42.41922 -40.30853      47.49228 
1 1 1 10  11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  11 1  o 684.8679 16.41955 13790.04       659.5057 13506.84       912.8075 14099.32       953.9136 676.5614 23.03857 691.1580 23.56769 -14.59656      32.95773 
1 1 1 10  11 2  o 347.2995 10.39279 3543.792       211.4452 3681.309       291.4668 3391.016       307.2115 353.6999 14.07901 339.3173 15.47841 14.38254       20.92366 
1 1 1 10  11 3  o 774.0262 18.32286 17625.20       831.7629 17169.81       1145.641 18132.80       1209.538 762.3585 25.66010 783.3085 26.36670 -20.95001      36.79189 
1 1 1 10  11 4  o 699.5532 12.26135 14371.22       503.0481 14264.85       582.3116 14684.11       998.7149 696.7820 14.24977 705.2406 24.18225 -8.458618      28.06844 
1 1 1 10  11 5  o 313.8487 8.647071 2892.721       159.0105 2788.877       184.0488 3198.396       315.7707 308.0683 10.20081 329.4237 16.39584 -21.35538      19.31010 
1 1 1 10  11 6  o 338.5069 8.931009 3365.113       177.1491 3365.615       209.3065 3363.846       332.6073 338.4326 10.55824 337.8044 16.84177 0.6281128      19.87767 
1 1 1 10  11 7  o 267.5154 11.42001 2105.116       178.7580 2105.116       178.7580 0.000000       0.000000 267.5154 11.42001 ?        ?        0.000000       11.42001 
1 1 1 10  11 8  f 506.5345 12.14606 7535.279       360.8236 7535.279       360.8236 0.000000       0.000000 506.5345 12.14606 ?        ?        0.000000       12.14606 
1 1 1 10  11 9  o 774.2972 16.32458 17630.33       741.3106 17630.33       741.3106 0.000000       0.000000 774.2972 16.32458 ?        ?        0.000000       16.32458 
1 1 1 10  11 10 o 253.9413 18.11199 1907.298       267.9720 1907.298       267.9720 0.000000       0.000000 253.9413 18.11199 ?        ?        0.000000       18.11199 
1 1 1 10  11 11 o 622.0975 13.75079 11373.02       501.6916 10223.05       756.3264 12276.57       670.4150 588.4233 21.95488 645.6365 17.72214 -57.21320      28.21508 
1 1 1 10  11 12 o 739.2474 15.43395 16071.04       669.1404 14764.11       1033.771 17013.46       877.8475 706.4838 24.98942 759.6748 19.72006 -53.19104      31.83319 
1 1 1 10  11 13 o 543.9199 16.25353 8712.366       517.8998 8712.366       517.8998 0.000000       0.000000 543.9199 16.25353 ?        ?        0.000000       16.25353 
1 1 1 10  11 14 o 622.7422 17.92759 11431.52       654.0765 0.000000       0.000000 11431.52       654.0765 ?        ?        622.7422 17.92759 0.000000       17.92759 
1 1 1 10  11 15 o 759.6806 20.01620 17038.84       891.0145 0.000000       0.000000 17038.84       891.0145 ?        ?        759.6806 20.01620 0.000000       20.01620 
1 1 1 10  11 16 o 791.4420 20.57747 18515.11       954.3179 0.000000       0.000000 18515.11       954.3179 ?        ?        791.4420 20.57747 0.000000       20.57747 
1 1 1 10  11 17 o 384.7737 7.770951 4346.509       175.3598 4018.828       294.5674 4526.386       218.2466 369.2887 13.62427 392.5424 9.480043 -23.25372      16.59795 
1 1 1 10  11 18 o 609.2333 9.396806 10904.92       335.7488 10914.66       580.8423 10900.03       411.4518 608.1194 16.30087 608.8024 11.52370 -0.6829834     19.96281 
1 1 1 10  11 19 f 737.4171 13.44512 16016.87       581.4714 16083.28       813.2341 15947.40       831.7274 737.1417 18.82650 733.8300 19.34256 3.311707       26.99206 
1 1 1 10  11 20 o 324.8675 7.321864 3099.438       139.5014 3158.780       251.7118 3073.132       167.5941 327.1594 13.14555 323.2545 8.848555 3.904938       15.84621 
1 1 1 10  11 21 o 342.4164 6.547816 3442.830       131.4927 3347.534       191.2830 3528.208       181.0558 337.2371 9.681446 346.3224 8.921605 -9.085297      13.16531 
1 1 1 10  11 22 o 140.5302 9.473835 583.5287       77.62484 699.8018       138.5995 530.3881       93.69909 153.0521 15.66146 133.6125 12.08806 19.43958       19.78389 
1 1 1 10  11 23 o 129.3584 9.936544 495.4019       74.80702 532.8769       128.9063 476.3729       91.85677 133.0536 16.90029 126.4693 12.54978 6.584282       21.05034 
1 1 1 10  11 24 f 126.1138 10.14356 471.3746       74.39227 518.0815       131.6853 449.4818       90.15686 130.9521 17.59098 122.7518 12.70687 8.200218       21.70040 
1 1 1 10  11 25 o 608.4223 8.150420 10887.18       290.8276 11244.14       424.6940 10571.97       399.0843 617.3403 11.73008 598.7153 11.36563 18.62500       16.33317 
1 1 1 10  11 26 o 153.9319 9.092783 699.8943       81.72160 551.7841       135.4350 784.6957       102.4802 135.1440 17.49806 162.7928 10.79479 -27.64877      20.55990 
1 1 1 10  11 27 o 335.3991 8.819792 3312.915       173.3380 3188.898       193.9130 3806.050       386.6777 328.8427 10.06653 356.9693 18.53350 -28.12659      21.09089 
1 1 1 10  11 28 o 154.6777 9.816283 707.4750       88.58887 666.5385       154.6313 727.4758       108.0850 148.6043 18.11653 156.5625 11.85958 -7.958176      21.65314 
1 1 1 10  11 29 o 473.3329 7.623086 6587.393       211.6158 6514.000       298.6221 6661.427       299.9219 470.0502 10.83246 475.3571 10.75815 -5.306885      15.26696 
1 1 1 10  11 30 o 343.2509 7.368299 3464.072       148.3302 3419.826       215.7547 3503.728       204.2582 340.3656 10.82222 344.6634 10.11589 -4.297852      14.81390 
1 1 1 10  11 31 o 182.9555 9.790937 989.3740       104.6732 1160.521       171.5242 887.8162       132.1287 197.2144 14.94099 172.7166 13.14273 24.49788       19.89886 
1 1 1 10  11 32 o 94.12533 17.79574 272.9632       94.63842 247.1140       159.4919 287.0104       117.5740 89.54031 27.62347 95.82302 21.45636 -6.282715      34.97759 
1 1 1 10  11 33 o 128.1361 13.21630 492.1454       97.89565 513.8032       166.0108 480.5990       121.2140 128.3654 22.89116 125.7589 16.85908 2.606491       28.42946 
1 1 1 10  11 34 f 274.9734 7.594479 2228.376       122.3554 2312.663       182.8008 2159.966       164.6866 279.3175 11.18171 270.1180 10.41523 9.199493       15.28096 
1 1 1 10  11 35 o 256.4570 7.935166 1940.287       119.2060 2041.359       180.3604 1861.890       158.8470 262.1265 11.76217 250.5650 10.83518 11.56157       15.99217 
1 1 1 10  11 36 o 142.5201 12.72932 609.1769       105.2788 712.4237       170.6320 545.7136       133.7776 152.0648 19.58737 133.4895 17.50952 18.57538       26.27257 
1 1 1 10  11 37 o 391.9851 7.544260 4534.251       173.4350 4566.469       253.2623 4505.801       237.9970 391.8235 11.03220 389.5031 10.42800 2.320343       15.18066 
1 1 1 10  11 38 o 55.96033 20.93435 77.95660       92.54378 12.83112       157.2422 112.4697       114.4684 58.73427 25.26897 64.20405 23.41213 -5.469776      34.44777 
1 1 1 10  11 39 o 57.33322 21.03162 87.82822       92.58201 72.87810       158.2578 95.60672       114.1539 64.29923 26.33936 61.29229 23.18110 3.006943       35.08740 
1 1 1 10  11 40 o 187.0128 9.092257 1042.818       99.42374 1041.945       154.9081 1043.428       129.6518 184.6536 14.41851 185.9576 11.95142 -1.304016      18.72778 
1 1 1 10  11 41 o 57.17181 20.55177 92.75838       87.80077 166.0349       158.4655 60.29800       105.4701 74.22717 27.46556 54.58061 21.80756 19.64655       35.07031 
1 1 1 10  11 42 o 106.8589 16.90611 362.7021       102.4298 368.0461       106.8362 301.8987       360.3739 107.3379 17.57927 94.97330 39.40812 12.36458       43.15125 
1 1 1 10  11 43 o 81.52739 20.60117 222.0562       98.52640 221.0497       101.9863 236.1397       381.4998 81.12795 21.20279 90.40537 39.12901 -9.277420      44.50436 
1 1 1 10  11 44 o 34.92227 16.70336 -114.9340      96.78625 -120.7405      99.93311 -27.06851      388.7420 35.30671 16.91019 76.76421 35.69957 -41.45750      39.50208 
1 1 1 10  11 45 o 50.83134 21.10238 41.96914       103.4066 68.36290       107.3505 -297.5716      385.0342 54.84686 21.97160 66.19501 32.07303 -11.34815      38.87712 
1 1 1 10  11 46 o 187.4969 12.28628 1080.227       134.3587 1080.227       134.3587 0.000000       0.000000 187.4969 12.28628 ?        ?        0.000000       12.28628 
1 1 1 10  11 47 o 77.03442 24.11447 210.7602       121.0546 178.0264       126.1642 590.5091       429.7200 71.70223 24.73013 105.6791 43.35892 -33.97684      49.91569 
1 1 1 10  11 48 o 63.85734 25.77691 111.3448       148.9647 111.3448       148.9647 0.000000       0.000000 63.85734 25.77691 ?        ?        0.000000       25.77691 
1 1 1 10  12 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 1  o 914.3378 21.27135 24624.17       1140.650 24784.29       1617.519 24465.79       1608.761 914.7690 30.19136 908.8563 30.22389 5.912781       42.72004 
1 1 1 10  12 2  o 392.5881 10.99422 4528.461       252.8856 4564.326       347.3044 4487.987       368.9444 393.8021 15.06550 390.3825 16.14949 3.419525       22.08563 
1 1 1 10  12 3  o 744.4962 13.07548 16281.01       570.9139 16370.79       670.6631 16044.73       1088.011 746.3102 15.32267 736.9580 25.21042 9.352173       29.50169 
1 1 1 10  12 4  o 486.9043 9.986685 6958.915       285.1776 6925.605       338.0575 7041.114       531.0494 485.6376 11.86937 488.8251 18.55753 -3.187500      22.02871 
1 1 1 10  12 5  o 462.6988 9.778695 6284.036       265.3566 6290.417       313.7055 6267.990       497.5034 462.8446 11.55677 461.1731 18.43135 1.671539       21.75485 
1 1 1 10  12 6  f 329.7791 9.325866 3194.499       180.1883 3234.560       215.6794 3101.921       327.8690 331.7258 11.10174 324.2831 17.30216 7.442627       20.55757 
1 1 1 10  12 7  o 270.6947 11.43858 2155.508       181.1851 2155.508       181.1851 0.000000       0.000000 270.6947 11.43858 ?        ?        0.000000       11.43858 
1 1 1 10  12 8  o 140.3734 18.30490 589.6129       147.1101 589.6129       147.1101 0.000000       0.000000 140.3734 18.30490 ?        ?        0.000000       18.30490 
1 1 1 10  12 9  o 392.0436 12.22114 4518.877       280.6506 4518.877       280.6506 0.000000       0.000000 392.0436 12.22114 ?        ?        0.000000       12.22114 
1 1 1 10  12 10 o 344.9683 13.94397 3503.171       281.5272 3193.377       368.3644 3938.249       436.5406 328.7466 19.18925 365.0203 20.47394 -36.27362      28.06082 
1 1 1 10  12 11 o 533.7286 12.38731 8368.971       387.7467 7396.212       566.6022 9225.795       531.7672 500.7148 19.33098 559.7802 16.21479 -59.06543      25.23106 
1 1 1 10  12 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 13 o 736.0727 15.50670 15940.24       669.4073 15940.24       669.4073 0.000000       0.000000 736.0727 15.50670 ?        ?        0.000000       15.50670 
1 1 1 10  12 14 o 409.4228 14.40685 4937.048       345.3936 4937.048       345.3936 0.000000       0.000000 409.4228 14.40685 ?        ?        0.000000       14.40685 
1 1 1 10  12 15 o 678.8502 17.89570 13596.81       711.8595 13596.81       711.8595 0.000000       0.000000 678.8502 17.89570 ?        ?        0.000000       17.89570 
1 1 1 10  12 16 o 318.9257 7.601254 2985.921       142.1757 2688.708       243.8224 3139.044       175.0087 301.9433 13.80538 326.7936 9.140341 -24.85031      16.55700 
1 1 1 10  12 17 o 205.4452 8.531230 1241.736       102.5681 1317.988       199.5450 1214.355       119.5733 210.7961 16.26665 203.0319 10.07344 7.764175       19.13316 
1 1 1 10  12 18 o 43.77151 18.36986 8.115611       79.62724 2.599550       170.0985 9.663636       90.11044 62.31975 26.53316 46.60117 19.54854 15.71857       32.95686 
1 1 1 10  12 19 o 224.1474 7.563017 1477.231       99.27888 1566.307       197.2604 1447.015       114.8904 229.9849 14.70179 221.7301 8.852834 8.254791       17.16145 
1 1 1 10  12 20 o 301.9241 7.261770 2677.383       128.5851 2775.771       233.4258 2634.521       154.0686 306.6093 13.01071 299.2586 8.787950 7.350739       15.70053 
1 1 1 10  12 21 o 430.5600 7.719652 5447.027       194.9315 5344.467       331.1957 5501.386       241.1184 425.4468 13.28990 432.4792 9.506368 -7.032349      16.33991 
1 1 1 10  12 22 o 223.8727 7.044200 1473.814       92.37248 1461.006       146.2416 1482.315       119.1504 222.4135 11.24790 224.3113 9.075940 -1.897736      14.45296 
1 1 1 10  12 23 o 636.8290 8.404994 11926.04       313.9141 11773.26       435.1504 12091.81       453.2879 631.8871 11.74220 640.2784 12.07132 -8.391296      16.84031 
1 1 1 10  12 24 o 127.2859 10.17271 480.2423       75.30788 343.1084       131.4612 547.2252       91.87713 105.1859 22.01792 135.7143 11.65613 -30.52843      24.91293 
1 1 1 10  12 25 o 160.5207 8.406625 760.0844       78.86549 637.1725       135.4340 823.1470       97.01007 145.6875 16.12029 166.8727 9.957737 -21.18521      18.94783 
1 1 1 10  12 26 o 278.1148 6.649715 2272.822       108.4620 2314.659       169.5502 2243.842       141.1125 280.0658 10.34032 275.9939 8.728950 4.071930       13.53206 
1 1 1 10  12 27 o 355.0636 6.768501 3704.714       140.9448 3702.326       211.4464 3706.624       189.0765 354.3303 10.18574 354.7370 9.095757 -0.4067078     13.65584 
1 1 1 10  12 28 o 507.8117 7.681491 7582.258       228.7698 7384.521       312.5352 7810.491       335.7719 500.5251 10.64688 514.6369 11.12482 -14.11179      15.39863 
1 1 1 10  12 29 o 141.4337 12.02359 594.7308       98.78821 397.2383       165.1428 704.7832       123.2776 112.5407 25.60009 153.7391 13.81987 -41.19833      29.09215 
1 1 1 10  12 30 o 128.5874 13.07303 493.9464       97.21909 481.0365       165.8007 500.7109       120.0162 124.4403 23.58115 128.8410 16.24337 -4.400627      28.63421 
1 1 1 10  12 31 o 210.4215 8.759422 1306.193       107.8612 1310.603       178.6499 1303.663       135.3055 209.6657 14.62024 209.8501 11.03276 -0.1843719     18.31593 
1 1 1 10  12 32 o 343.7805 7.461444 3477.962       150.4370 3345.243       220.6558 3593.230       205.6374 336.2283 11.20566 348.7829 10.06354 -12.55460      15.06127 
1 1 1 10  12 33 o 168.7905 10.62766 845.3676       104.6709 783.0421       169.6120 883.7029       133.0219 160.5451 18.34276 172.0326 13.28735 -11.48752      22.64974 
1 1 1 10  12 34 o 289.7305 7.698646 2474.473       130.6995 2421.818       193.6528 2518.523       177.1251 285.6876 11.58199 291.6824 10.37077 -5.994843      15.54656 
1 1 1 10  12 35 o 200.2369 9.723933 1187.940       113.8508 1120.640       182.3186 1230.959       145.7653 192.6805 16.28641 203.2234 12.28750 -10.54300      20.40171 
1 1 1 10  12 36 o 221.0183 9.013031 1446.268       116.5836 1345.524       191.9842 1505.121       146.7373 211.1467 15.61400 224.9107 11.15933 -13.76401      19.19187 
1 1 1 10  12 37 o 182.3427 14.41775 1005.175       152.9290 1038.459       165.3582 808.4111       402.0550 184.9762 15.38167 147.0086 43.54469 37.96759       46.18155 
1 1 1 10  12 38 o 150.5523 11.31441 680.5847       99.17009 489.9438       156.6191 808.1735       128.1277 123.2686 22.49268 163.3555 13.49418 -40.08681      26.23001 
1 1 1 10  12 39 o 291.4834 7.714388 2517.577       131.7601 2443.525       192.9285 2582.307       180.3779 285.3265 11.55321 293.9255 10.48072 -8.598969      15.59879 
1 1 1 10  12 40 o 184.0461 10.40910 1015.755       111.8964 1043.225       116.1251 659.0383       418.4596 186.4234 10.66574 125.4643 44.89505 60.95909       46.14459 
1 1 1 10  12 41 o 132.4766 13.53415 538.5443       103.6768 554.8594       107.6594 330.1821       384.7390 134.3425 13.86319 98.91260 40.85037 35.42987       43.13863 
1 1 1 10  12 42 o 115.1426 15.74544 416.5895       103.5441 452.9442       107.4153 -60.68579      389.1980 120.2001 15.60542 77.14053 35.82200 43.05952       39.07359 
1 1 1 10  12 43 o 72.38675 22.32293 175.5462       104.1680 150.2744       107.8414 527.6661       402.5432 67.98267 22.87490 108.9089 42.89399 -40.92618      48.61230 
1 1 1 10  12 44 o 104.1766 20.30286 361.5352       119.5850 302.0321       125.4819 950.3533       394.7316 93.48274 23.03820 142.6616 43.35258 -49.17889      49.09383 
1 1 1 10  12 45 o 80.79620 22.31745 226.0364       109.2454 234.6183       113.3867 114.9491       407.9472 82.11047 22.75808 82.33707 37.66637 -0.2266006     44.00779 
1 1 1 10  12 46 o 43.56496 19.98187 -51.17813      115.8195 -76.02428      121.2614 207.1490       391.0012 42.76066 19.90378 84.92409 38.04694 -42.16343      42.93868 
1 1 1 10  12 47 o 51.07217 21.53767 38.20162       110.2965 23.48374       113.9337 257.7365       440.0290 50.01884 21.51429 87.65585 39.71627 -37.63701      45.16909 
1 1 1 10  13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  13 1  o 618.8914 15.14270 11258.23       549.6274 11901.93       800.6989 10684.65       755.8221 635.2195 21.52398 601.8336 21.44804 33.38593       30.38586 
1 1 1 10  13 2  o 868.5059 20.33024 22213.25       1035.538 22208.78       1457.780 22217.80       1471.255 866.1234 28.73847 866.2239 29.00147 -0.1005859     40.82873 
1 1 1 10  13 3  o 686.4763 16.55908 13858.19       666.6721 13885.29       934.0528 13830.05       951.8319 685.8137 23.25645 684.3481 23.75153 1.465637       33.24150 
1 1 1 10  13 4  o 150.6055 11.02928 669.5284       96.74234 596.2622       106.9754 998.4594       226.6648 141.8794 13.00060 182.8340 21.55227 -40.95457      25.16974 
1 1 1 10  13 5  o 152.1628 11.20741 683.5278       99.31293 673.9387       111.0793 721.7321       221.7187 150.9439 12.66445 154.3788 25.36904 -3.434952      28.35448 
1 1 1 10  13 6  o 494.8965 10.48323 7190.615       304.2705 7114.181       357.4118 7391.858       579.9467 491.9873 12.39683 500.6254 19.79162 -8.638062      23.35358 
1 1 1 10  13 7  o 830.3801 16.84532 20283.33       820.3643 20283.33       820.3643 0.000000       0.000000 830.3801 16.84532 ?        ?        0.000000       16.84532 
1 1 1 10  13 8  o 572.1439 17.73656 9642.847       594.4293 9642.847       594.4293 0.000000       0.000000 572.1439 17.73656 ?        ?        0.000000       17.73656 
1 1 1 10  13 9  o 275.7271 11.88724 2237.229       191.7740 2237.229       191.7740 0.000000       0.000000 275.7271 11.88724 ?        ?        0.000000       11.88724 
1 1 1 10  13 10 o 698.0069 12.07385 14312.88       494.2605 13865.48       601.9374 15238.86       865.9673 686.6799 14.94674 718.7065 20.56583 -32.02661      25.42358 
1 1 1 10  13 11 o 672.6422 13.95945 13301.26       550.6846 12994.95       894.2507 13488.38       698.9286 663.0128 23.03281 676.6198 17.62819 -13.60699      29.00454 
1 1 1 10  13 12 o 328.7711 9.763355 3176.631       188.0450 2994.127       295.4554 3300.897       243.7991 318.5897 15.86273 334.9194 12.43357 -16.32974      20.15489 
1 1 1 10  13 13 o 252.1530 9.773877 1869.974       144.2641 1557.449       228.1784 2078.091       186.2024 229.3186 17.08906 265.6468 11.98256 -36.32817      20.87145 
1 1 1 10  13 14 o 221.1826 9.645756 1439.578       124.8223 1729.349       231.8706 1321.338       148.1156 241.7344 16.45330 211.6775 11.97987 30.05690       20.35260 
1 1 1 10  13 15 o 241.4295 16.49075 1725.936       232.0951 1725.936       232.0951 0.000000       0.000000 241.4295 16.49075 ?        ?        0.000000       16.49075 
1 1 1 10  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  13 17 o 458.5875 7.912699 6175.928       212.8126 6658.019       405.7943 5993.036       249.9413 475.0960 14.58104 451.6065 9.436854 23.48956       17.36839 
1 1 1 10  13 18 o 323.1792 7.369583 3067.107       139.6808 2879.458       251.8646 3150.457       167.8603 312.2800 13.78619 327.3288 8.751913 -15.04886      16.32957 
1 1 1 10  13 19 o 64.09273 17.75646 125.2103       69.04123 23.97802       183.0396 142.0021       74.54772 66.35020 27.84888 68.09568 18.28340 -1.745476      33.31431 
1 1 1 10  13 20 o 245.4770 7.443700 1771.861       107.0405 1619.754       214.3066 1822.421       123.5564 233.5593 15.73731 248.8579 8.478087 -15.29861      17.87571 
1 1 1 10  13 21 o 234.0452 7.417606 1611.053       101.6870 1752.391       196.4393 1559.317       118.8498 243.2407 13.82720 230.1097 8.823043 13.13100       16.40236 
1 1 1 10  13 22 o 111.7577 11.69882 372.1572       75.54306 238.3978       174.2441 403.1187       83.83141 89.74078 29.02882 116.2388 12.49303 -26.49802      31.60298 
1 1 1 10  13 23 o 189.4055 7.575267 1056.227       83.97773 993.7680       143.9282 1088.465       103.4036 182.8923 13.51383 192.0971 9.205136 -9.204788      16.35109 
1 1 1 10  13 24 o 242.3533 6.726889 1727.168       95.51981 1822.236       158.0383 1672.449       119.8982 248.3880 10.87515 238.2682 8.594254 10.11977       13.86110 
1 1 1 10  13 25 o 46.08392 17.35079 46.59203       63.78968 -26.75591      129.8475 69.92531       73.23649 51.39659 22.52643 52.42405 18.77907 -1.027458      29.32735 
1 1 1 10  13 26 o 243.6716 7.103434 1746.700       101.4051 1713.766       165.6091 1766.454       128.2615 240.6907 11.76773 244.8187 8.948131 -4.127991      14.78338 
1 1 1 10  13 27 o 151.1264 10.31338 676.0941       90.86182 359.6789       162.5609 819.8618       109.5767 107.0154 26.13132 166.3442 11.29914 -59.32878      28.46957 
1 1 1 10  13 28 o 331.2036 10.12337 3234.896       196.4087 2998.656       215.2336 4410.940       480.2244 318.5982 11.53809 383.2292 21.45221 -64.63098      24.35826 
1 1 1 10  13 29 o 137.7443 11.52382 563.7937       92.24140 799.9058       166.4172 459.0853       110.8229 163.0162 17.68996 123.4396 15.66017 39.57658       23.62574 
1 1 1 10  13 30 o 47.19387 19.54576 19.14225       88.41967 -104.9352      161.3635 72.38236       105.7008 51.57346 23.62921 58.23598 22.23992 -6.662525      32.44925 
1 1 1 10  13 31 o 77.76233 19.85327 188.2984       90.84276 4.146142       165.4205 267.8158       108.7006 60.86696 26.04707 92.68042 20.53865 -31.81346      33.17056 
1 1 1 10  13 32 o 107.3746 15.21920 349.8322       93.15693 364.1242       176.4476 344.3088       109.6905 106.7122 27.88861 105.7438 18.35264 0.9684067      33.38554 
1 1 1 10  13 33 o 143.2026 11.56762 611.1038       96.32440 753.4135       173.2720 547.4539       115.8804 157.0994 19.20515 134.7547 14.91198 22.34470       24.31470 
1 1 1 10  13 34 o 161.8200 10.88513 778.5103       102.7028 580.6367       168.8731 894.6546       129.3795 136.6509 21.80390 173.0798 12.83724 -36.42891      25.30227 
1 1 1 10  13 35 o 245.3907 9.795247 1783.918       140.6859 1814.738       321.4291 1776.615       156.4695 242.1437 22.90631 244.5814 10.93592 -2.437668      25.38293 
1 1 1 10  13 36 o 153.5946 10.81821 703.7346       96.82664 637.2620       167.4509 737.1247       118.6794 142.9810 20.55949 156.6242 13.03824 -13.64319      24.34519 
1 1 1 10  13 37 o 153.0347 10.72597 700.3060       95.65730 780.0107       161.4102 657.1583       118.7594 159.0656 17.59618 147.2467 13.91733 11.81883       22.43474 
1 1 1 10  13 38 o 289.9506 8.408360 2494.125       142.8325 2493.159       152.1243 2501.319       415.0442 289.6655 8.965501 277.3600 25.81152 12.30554       27.32425 
1 1 1 10  13 39 o 152.1052 11.91224 698.9161       105.4173 745.5712       109.3726 88.64001       395.5693 157.1093 11.96003 87.64745 38.82795 69.46187       40.62822 
1 1 1 10  13 40 o 218.7496 9.382377 1428.882       120.0881 1457.108       125.7246 1135.095       405.6123 220.7521 9.734964 169.0268 41.27929 51.72531       42.41166 
1 1 1 10  13 41 o 191.8686 10.26859 1106.616       115.1278 1129.837       120.3602 856.8315       394.7549 193.7050 10.63558 140.3941 43.48342 53.31085       44.76520 
1 1 1 10  13 42 o 104.9902 17.93081 354.5724       106.4465 405.6507       110.4389 -313.8240      399.5042 112.8002 17.24055 68.82361 33.18038 43.97664       37.39217 
1 1 1 10  13 43 o 97.40212 19.83807 313.9355       109.4692 356.8496       113.6128 -242.4104      409.0717 104.3161 19.28060 70.95183 34.04342 33.36430       39.12411 
1 1 1 10  13 44 o 109.8897 19.79372 399.8391       122.8749 404.7828       128.2390 344.4273       429.3369 110.0621 20.62461 95.01249 41.31376 15.04966       46.17576 
1 1 1 10  13 45 o 105.2451 20.08141 370.7165       119.4290 294.5642       124.0880 1328.081       439.9740 91.79497 23.07750 167.5656 44.15771 -75.77063      49.82443 
1 1 1 10  13 46 o 66.28282 23.42484 145.2113       113.5961 175.8943       117.6833 -273.6414      434.8073 71.33784 23.89485 69.40002 33.73201 1.937828       41.33778 
1 1 1 10  13 47 o 89.55049 23.31087 285.0322       123.5996 300.0926       128.5170 99.45046       451.1394 91.65817 23.72526 81.50975 38.08947 10.14842       44.87422 
1 1 1 10  14 0  o 964.9042 22.39971 27449.40       1267.585 27149.30       1772.403 27763.61       1813.578 956.5527 31.63742 967.1891 32.01646 -10.63647      45.01089 
1 1 1 10  14 1  o 674.0306 16.26620 13360.39       643.0076 13330.59       899.8887 13391.48       919.1163 671.9623 22.86792 673.4089 23.30753 -1.446594      32.65245 
1 1 1 10  14 2  o 566.6003 11.19861 9426.813       372.1272 9432.266       445.2556 9414.180       677.7118 566.5978 13.39936 564.9538 20.48808 1.644043       24.48069 
1 1 1 10  14 3  o 336.2754 9.482189 3321.863       186.8187 3307.469       224.3919 3354.376       337.2537 335.4110 11.42388 337.2483 17.10714 -1.837250      20.57083 
1 1 1 10  14 4  o 355.8798 9.670210 3720.456       201.6448 3888.404       245.4075 3371.407       353.7883 363.6971 11.51982 338.0056 17.91110 25.69156       21.29586 
1 1 1 10  14 5  o 839.1827 14.46820 20699.43       712.0681 20376.05       819.0508 21700.44       1441.023 832.2634 16.78029 855.7966 28.75193 -23.53320      33.29042 
1 1 1 10  14 6  o 772.4252 13.73929 17533.97       622.4023 17167.84       717.5565 18646.35       1250.742 764.0199 16.01404 793.6591 26.90988 -29.63922      31.31439 
1 1 1 10  14 7  o 448.2354 10.06113 5898.692       264.4865 6044.065       313.3243 5538.322       493.3181 453.4708 11.79133 433.1818 19.46783 20.28900       22.76031 
1 1 1 10  14 8  o 561.4314 12.93430 9262.083       425.8827 9262.083       425.8827 0.000000       0.000000 561.4314 12.93430 ?        ?        0.000000       12.93430 
1 1 1 10  14 9  o 414.7117 15.85635 5066.863       384.9454 5066.863       384.9454 0.000000       0.000000 414.7117 15.85635 ?        ?        0.000000       15.85635 
1 1 1 10  14 10 o 248.6327 13.26048 1822.149       192.6612 1822.149       192.6612 0.000000       0.000000 248.6327 13.26048 ?        ?        0.000000       13.26048 
1 1 1 10  14 11 o 36.31377 17.04554 -96.95107      92.06641 -85.39672      109.5421 -124.7484      169.9066 41.87311 19.28868 52.57059 24.14551 -10.69748      30.90403 
1 1 1 10  14 12 o 404.7281 10.20739 4814.348       242.0928 4335.235       363.6435 5195.729       324.4421 383.3650 16.21041 420.1504 13.18316 -36.78546      20.89434 
1 1 1 10  14 13 o 511.2213 11.20631 7680.526       335.9868 7285.308       540.3088 7929.708       429.0237 496.6023 18.58445 518.9257 14.11006 -22.32333      23.33400 
1 1 1 10  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 15 o 628.9473 9.674458 11622.73       356.8547 10703.15       558.2667 12258.06       464.0353 602.3553 15.81665 645.5231 12.25713 -43.16779      20.01009 
1 1 1 10  14 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  14 17 o 320.0469 7.921919 3008.568       148.6944 3296.254       262.1214 2872.065       180.5574 334.2258 13.39964 312.4066 9.867098 21.81921       16.64061 
1 1 1 10  14 18 o 94.71129 13.18331 269.3742       71.24578 115.8942       189.0126 294.7923       76.91943 76.42159 29.59530 99.09003 13.59390 -22.66844      32.56802 
1 1 1 10  14 19 o 274.0419 7.199083 2207.400       115.6028 2115.055       226.0905 2240.089       134.5165 267.2759 14.47759 275.9561 8.321115 -8.680176      16.69855 
1 1 1 10  14 20 o 32.94126 14.87958 -32.96656      61.20070 -352.2789      176.6163 10.60679       65.24293 42.25190 20.74036 40.19860 16.73122 2.053307       26.64763 
1 1 1 10  14 21 o 390.2346 7.547677 4475.258       172.7386 4185.140       285.6512 4642.512       216.8887 376.3580 12.96083 397.2345 9.309781 -20.87653      15.95792 
1 1 1 10  14 22 o 47.82865 17.14278 57.68134       61.03920 -171.3683      160.4810 96.42183       65.99961 47.37534 22.32081 57.13388 17.79364 -9.758541      28.54527 
1 1 1 10  14 23 o 143.9961 8.740784 612.3196       73.46854 717.9562       183.0498 592.0353       80.21273 153.6746 20.84743 141.4619 9.727589 12.21271       23.00525 
1 1 1 10  14 24 o 174.3751 7.471441 895.5840       76.23097 1079.747       147.3084 828.2275       89.08736 190.6618 13.25643 167.4928 9.103425 23.16895       16.08121 
1 1 1 10  14 25 o 258.6095 6.595821 1966.426       99.95609 1971.922       163.4848 1963.145       126.3165 258.3874 10.81226 258.1843 8.353176 0.2030640      13.66311 
1 1 1 10  14 26 o 79.35839 15.82538 193.2594       71.06947 185.2678       150.9257 195.5363       80.56013 80.37206 27.06135 79.55598 17.72060 0.8160782      32.34712 
1 1 1 10  14 27 o 88.77527 16.83952 241.5961       84.46738 -14.53258      170.1937 325.3026       97.29581 60.34570 26.12684 103.4253 16.60206 -43.07959      30.95546 
1 1 1 10  14 28 o 185.7531 9.496103 1018.734       103.1071 859.6675       187.8435 1087.326       123.3502 168.6905 19.33602 191.7001 11.01794 -23.00961      22.25481 
1 1 1 10  14 29 o 218.8877 8.233967 1411.784       105.5130 1450.307       178.0558 1390.935       130.9893 220.9021 13.81290 216.9626 10.32401 3.939453       17.24475 
1 1 1 10  14 30 o 213.5247 8.399882 1344.323       104.9842 1221.102       172.4817 1416.839       132.3177 202.3366 14.63398 218.9136 10.33529 -16.57695      17.91568 
1 1 1 10  14 31 o 76.06828 19.14779 180.2909       85.34908 192.3117       166.2164 175.9865       99.46278 82.05863 28.38160 75.37643 21.46724 6.682205       35.58591 
1 1 1 10  14 32 o 198.1087 8.882312 1159.579       102.9376 1012.838       176.8404 1234.780       126.5956 183.3578 16.62543 204.1229 10.61133 -20.76508      19.72322 
1 1 1 10  14 33 o 184.4935 9.119839 1006.881       98.37177 809.0010       170.3335 1105.910       120.4985 163.1388 18.10761 193.0701 10.68348 -29.93135      21.02432 
1 1 1 10  14 34 o 116.8570 13.29145 411.3759       89.47457 617.3783       171.9734 334.9153       104.7718 140.9685 21.47897 104.1448 17.79213 36.82368       27.89096 
1 1 1 10  14 35 o 258.1328 8.922860 1971.348       134.8790 1958.003       141.0880 2113.029       459.7195 257.1396 9.371254 255.1372 31.38386 2.002411       32.75313 
1 1 1 10  14 36 o 155.9540 11.24586 727.3555       102.1677 760.3925       105.4084 214.7120       415.2242 159.4461 11.34639 100.3578 42.02181 59.08836       43.52670 
1 1 1 10  14 37 o 306.8400 8.360500 2790.197       150.3107 2802.628       160.7708 2703.887       423.6341 307.2960 8.930191 290.1449 25.14372 17.15112       26.68248 
1 1 1 10  14 38 o 44.35128 18.90707 7.820979       86.56544 5.761183       88.60878 50.94341       405.4304 44.56165 19.06634 87.18041 38.92255 -42.61877      43.34156 
1 1 1 10  14 39 o 154.8356 11.39038 722.8881       102.7091 699.2698       106.4942 1037.530       388.6957 152.0270 12.04245 162.7586 40.80256 -10.73163      42.54256 
1 1 1 10  14 40 o 201.5076 10.16473 1217.869       119.7383 1190.807       125.0193 1518.039       416.3747 198.9874 10.75270 201.3696 36.60449 -2.382263      38.15113 
1 1 1 10  14 41 o 128.6357 14.44848 513.0718       107.1197 539.7751       111.4638 190.3795       387.4768 131.8724 14.65964 89.10933 38.98800 42.76305       41.65295 
1 1 1 10  14 42 o 151.0348 18.59462 731.9215       161.2351 836.6213       176.5709 206.5215       395.5409 161.2635 19.03594 89.18423 39.19506 72.07928       43.57315 
1 1 1 10  14 43 o 112.5920 18.29154 411.4362       116.6421 352.7397       121.3336 1126.724       423.5605 102.6328 20.86953 155.8466 44.27177 -53.21377      48.94412 
1 1 1 10  14 44 o 50.77059 21.63909 27.56997       113.3477 18.44866       117.6978 144.1657       420.8051 50.52277 21.80004 84.40247 38.47515 -33.87970      44.22193 
1 1 1 10  14 45 o 145.4391 13.89180 660.1430       117.0542 705.8777       121.9078 119.8514       419.0084 150.3690 13.98391 82.46747 37.89201 67.90154       40.39002 
1 1 1 10  14 46 o 40.22635 18.92904 -91.75006      114.7760 -52.84082      119.1605 -591.4783      427.0442 43.97834 20.20706 61.21657 30.44277 -17.23823      36.53885 
1 1 1 10  14 47 o 105.4980 20.34754 378.0536       121.3321 350.4023       125.7574 750.3346       461.4355 100.3411 21.97943 112.9101 45.44162 -12.56895      50.47808 
1 1 1 10  15 0  o 528.1508 13.44442 8201.950       416.0995 8302.837       583.8740 8097.834       593.1425 530.7078 18.78879 524.0254 19.33309 6.682434       26.95899 
1 1 1 10  15 1  o 682.8264 23.62990 13776.41       944.8604 0.000000       0.000000 13776.41       944.8604 ?        ?        682.8264 23.62990 0.000000       23.62990 
1 1 1 10  15 2  o 367.5318 10.81216 3969.845       232.8013 3758.458       302.8842 4275.006       363.9160 357.2831 14.48488 380.8836 16.32933 -23.60046      21.82793 
1 1 1 10  15 3  o 238.9681 9.810530 1679.267       137.2014 1630.604       167.1107 1779.912       240.3256 235.2951 12.15107 245.3955 16.80005 -10.10042      20.73380 
1 1 1 10  15 4  o 309.6524 9.458937 2817.322       171.5765 2926.918       208.4891 2587.348       302.0121 315.4924 11.28611 295.9928 17.47550 19.49960       20.80311 
1 1 1 10  15 5  f 219.3823 9.783247 1415.759       125.5571 1424.276       142.3877 1385.985       266.2204 219.9458 11.07403 215.7762 21.31531 4.169601       24.02033 
1 1 1 10  15 6  o 627.5932 11.67469 11569.58       429.7088 11458.13       500.3407 11882.85       838.8543 624.3664 13.66393 634.1583 22.59086 -9.791931      26.40170 
1 1 1 10  15 7  o 451.7148 9.994040 5991.130       264.7622 6023.763       312.8364 5908.750       497.0548 452.6763 11.79367 447.4510 18.98438 5.225311       22.34943 
1 1 1 10  15 8  o 518.0275 12.13927 7884.628       368.8041 7884.628       368.8041 0.000000       0.000000 518.0275 12.13927 ?        ?        0.000000       12.13927 
1 1 1 10  15 9  o 263.9128 18.85367 2062.941       289.8923 2062.941       289.8923 0.000000       0.000000 263.9128 18.85367 ?        ?        0.000000       18.85367 
1 1 1 10  15 10 f 518.3785 18.42262 7930.233       559.1881 7930.233       559.1881 0.000000       0.000000 518.3785 18.42262 ?        ?        0.000000       18.42262 
1 1 1 10  15 11 o 477.5120 10.94875 6699.615       306.6191 6354.591       465.7420 6963.548       407.3503 464.0760 17.14165 486.2795 14.29893 -22.20358      22.32254 
1 1 1 10  15 12 o 568.0518 12.16279 9487.609       405.2019 8898.670       631.0629 9900.754       528.5525 548.6184 19.64506 579.5895 15.56361 -30.97107      25.06301 
1 1 1 10  15 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  15 14 o 457.2121 10.02960 6143.214       268.9379 6378.618       472.2076 6030.197       327.1877 464.5708 17.36182 452.5695 12.33862 12.00128       21.29963 
1 1 1 10  15 15 o 73.24009 16.42288 164.5202       68.79723 174.2138       113.0724 158.8224       86.68964 76.38316 23.20112 72.14902 19.86158 4.234138       30.54135 
1 1 1 10  15 16 o 588.9680 8.483765 10191.19       293.0427 9620.490       409.2096 10791.93       419.8448 571.6625 12.20550 605.5403 11.82212 -33.87787      16.99225 
1 1 1 10  15 17 o 462.9951 7.962421 6297.583       216.2082 5952.729       357.4526 6496.536       271.5047 449.1483 13.58556 470.0223 9.849366 -20.87402      16.78027 
1 1 1 10  15 18 o 374.1985 7.571523 4113.635       166.1636 3591.848       276.8489 4407.439       207.7426 348.6940 13.56366 387.1670 9.149066 -38.47299      16.36088 
1 1 1 10  15 19 o 53.30922 16.97338 82.56366       59.73987 -374.9057      183.8052 136.5969       63.16946 42.78751 21.03427 66.63049 16.30132 -23.84298      26.61153 
1 1 1 10  15 20 f 166.9591 7.966856 821.2291       77.78444 648.7524       196.4389 853.3012       84.70830 145.4058 23.86240 170.1399 8.516324 -24.73415      25.33657 
1 1 1 10  15 21 o 405.6989 7.545832 4837.743       179.5401 4805.302       310.2727 4854.073       220.1396 403.1724 13.13962 406.1462 9.241983 -2.973785      16.06436 
1 1 1 10  15 22 o 133.1389 9.222772 524.2161       71.56889 298.4829       191.3225 560.9426       77.17167 98.58260 30.22603 137.6964 9.616641 -39.11375      31.71897 
1 1 1 10  15 23 o 225.8177 7.257333 1500.492       95.98893 1420.542       204.8247 1522.993       108.6598 218.2233 16.11783 227.4033 8.160680 -9.180038      18.06602 
1 1 1 10  15 24 o 486.9899 8.260196 6976.731       235.9179 7113.794       413.6507 6910.654       287.2091 489.9457 14.41144 484.2921 10.11207 5.653595       17.60522 
1 1 1 10  15 25 o 61.83394 26.24634 11.52231       165.5703 71.15239       188.3939 -190.8198      347.0381 71.16814 28.89379 76.21667 34.81885 -5.048538      45.24603 
1 1 1 10  15 26 o 25.71368 12.70268 -156.0081      69.85201 -286.4650      201.9901 -138.2874      74.44518 49.56504 23.81830 28.14989 13.74328 21.41515       27.49889 
1 1 1 10  15 27 o 453.7454 7.491370 6053.190       199.3535 6673.812       324.7235 5677.798       252.5477 475.5577 11.64287 439.0400 9.808188 36.51770       15.22356 
1 1 1 10  15 28 o 242.7312 7.851366 1734.770       111.6220 1495.641       198.8354 1844.809       134.8810 224.0640 15.22149 250.1309 9.210330 -26.06689      17.79112 
1 1 1 10  15 29 o 214.6811 7.994926 1358.029       100.4846 1567.004       196.3700 1283.899       116.9570 229.3755 14.67444 208.5074 9.590007 20.86807       17.53019 
1 1 1 10  15 30 o 103.4775 14.44641 323.8029       85.28469 420.7769       181.4601 296.3090       96.62116 115.0596 27.30386 98.24753 17.40578 16.81203       32.37996 
1 1 1 10  15 31 o 264.4498 7.762577 2060.892       120.2623 2001.912       204.4610 2092.092       148.7066 259.3434 13.48901 266.1113 9.543777 -6.767944      16.52383 
1 1 1 10  15 32 o 398.3770 8.268225 4677.433       193.1777 4798.781       213.9270 4141.343       449.6436 403.3115 9.044290 369.3644 20.84147 33.94708       22.71929 
1 1 1 10  15 33 o 39.59339 17.59854 -27.31117      81.93979 -2.786839      83.63822 -612.8223      408.6709 42.94321 18.45158 67.15241 32.65393 -24.20920      37.50653 
1 1 1 10  15 34 o 270.7716 8.745201 2167.061       138.6927 2180.679       147.0464 2057.324       417.4285 271.4952 9.248608 254.4676 28.45712 17.02763       29.92231 
1 1 1 10  15 35 o 134.7853 12.94331 546.8234       101.0587 595.4974       104.1220 -244.0638      419.7120 140.7573 12.75127 79.19501 36.91868 61.56226       39.05872 
1 1 1 10  15 36 o 139.9976 12.10640 589.6847       98.42413 576.0405       101.1758 830.3392       424.9124 138.2052 12.62167 146.8580 45.04841 -8.652847      46.78318 
1 1 1 10  15 37 f 76.87810 19.21706 189.8334       86.40126 172.3484       88.68964 515.6048       382.8223 73.22286 20.06246 117.4165 42.81525 -44.19368      47.28264 
1 1 1 10  15 38 o 171.4780 10.76191 882.5012       107.6844 884.6218       111.3134 851.5604       425.1935 171.5509 11.12376 143.0122 45.25233 28.53876       46.59948 
1 1 1 10  15 39 o 224.8017 9.170164 1507.405       120.6465 1492.515       125.5496 1686.947       435.9681 223.5058 9.600411 214.5173 35.92202 8.988449       37.18278 
1 1 1 10  15 40 o 217.6591 14.10693 1452.021       179.1077 1531.011       197.7969 1092.290       422.1068 222.7322 15.23380 160.1433 43.72380 62.58894       46.30162 
1 1 1 10  15 41 o 53.90094 20.92396 69.87947       94.65044 67.78963       97.45245 104.6614       397.5692 53.99587 21.15351 84.82032 38.15314 -30.82445      43.62492 
1 1 1 10  15 42 o 176.0726 11.67114 943.2289       119.8388 960.0865       124.4027 726.0396       446.5316 177.4493 12.02480 121.3839 45.86101 56.06542       47.41127 
1 1 1 10  15 43 o 53.97567 22.04405 57.26745       110.4372 81.60139       113.8708 -328.0854      453.1431 57.60540 22.77465 70.92538 34.46481 -13.31998      41.30990 
1 1 1 10  15 44 o 193.3208 10.90877 1136.421       123.1797 1077.182       128.0911 1864.770       449.1443 187.7029 11.69392 213.2578 37.26707 -25.55492      39.05870 
1 1 1 10  15 45 o 49.66936 21.45977 18.29105       114.3449 28.56777       118.8504 -109.5943      419.2605 51.49479 22.05824 73.45756 35.03294 -21.96277      41.39894 
1 1 1 10  15 46 o 36.31337 17.58787 -157.8898      115.4969 -213.4442      120.8399 428.9840       392.7564 34.70958 17.06156 95.98741 40.56902 -61.27783      44.01071 
1 1 1 10  16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  16 1  o 472.3507 12.34614 6559.541       341.7226 6735.503       481.5238 6381.004       485.0327 478.0721 17.20214 465.2205 17.81002 12.85159       24.76107 
1 1 1 10  16 2  o 713.4319 13.01869 14957.36       544.7162 15086.13       650.6994 14655.78       995.8018 716.1779 15.49205 703.9626 24.15554 12.21527       28.69658 
1 1 1 10  16 3  o 406.4053 9.594011 4848.987       228.6705 4769.335       277.7589 5016.528       402.8369 402.7628 11.77157 412.5418 16.68429 -9.779053      20.41899 
1 1 1 10  16 4  o 320.5313 9.000211 3018.283       169.0221 3125.703       206.6298 2801.058       293.8359 326.0582 10.82055 308.1048 16.31953 17.95346       19.58089 
1 1 1 10  16 5  o 641.7523 11.74046 12099.04       441.8788 12083.14       517.8109 12141.62       847.6103 641.1102 13.77171 640.9095 22.58543 0.2006836      26.45301 
1 1 1 10  16 6  o 652.0212 11.82326 12490.29       452.1155 12276.21       522.0221 13132.88       904.4175 646.1893 13.77459 666.3865 23.17682 -20.19720      26.96116 
1 1 1 10  16 7  o 578.6263 11.04736 9835.030       374.8929 9911.948       443.3533 9642.046       702.2561 580.6876 13.01838 571.2417 20.99736 9.445862       24.70562 
1 1 1 10  16 8  o 104.2942 11.44892 323.4210       68.87860 323.4210       68.87860 0.000000       0.000000 104.2942 11.44892 ?        ?        0.000000       11.44892 
1 1 1 10  16 9  o 206.3575 9.561607 1253.241       115.4036 1253.241       115.4036 0.000000       0.000000 206.3575 9.561607 ?        ?        0.000000       9.561607 
1 1 1 10  16 10 o 580.5551 10.24085 9901.658       348.6823 9688.952       422.4902 10356.00       617.4749 574.0204 12.54986 592.3627 17.79401 -18.34222      21.77443 
1 1 1 10  16 11 o 614.1913 16.24186 11124.76       584.5327 0.000000       0.000000 11124.76       584.5327 ?        ?        614.1913 16.24186 0.000000       16.24186 
1 1 1 10  16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  16 13 o 354.2581 6.634841 3683.701       137.8481 3430.217       193.9673 3942.370       195.9411 341.5265 9.693783 366.3260 9.120259 -24.79953      13.30972 
1 1 1 10  16 14 o 300.3806 6.267352 2648.373       110.4095 2613.751       165.7691 2675.977       148.0194 298.0765 9.494664 301.7135 8.373240 -3.636963      12.65938 
1 1 1 10  16 15 o 420.1120 7.649085 5183.594       188.4626 5459.465       267.1287 4910.197       265.9280 430.8396 10.57193 408.3786 11.11359 22.46097       15.33877 
1 1 1 10  16 16 o 342.8912 6.644983 3452.217       133.6290 3241.474       190.9364 3654.538       187.0825 331.8612 9.821090 352.4841 9.057390 -20.62289      13.36002 
1 1 1 10  16 17 o 33.57739 14.42729 -3.897662      51.13344 176.8680       117.9712 -45.71421      56.74039 76.97663 23.75901 29.95747 13.82930 47.01916       27.49073 
1 1 1 10  16 18 o 130.1216 8.277107 499.6909       62.83787 255.5063       131.1559 572.4418       71.58923 90.82636 24.19093 139.2532 8.810987 -48.42684      25.74557 
1 1 1 10  16 19 f 145.4153 8.052234 623.4809       68.40346 357.4632       196.5717 660.1315       72.96360 107.0395 30.07522 149.6112 8.348674 -42.57168      31.21249 
1 1 1 10  16 20 o 367.9806 7.405606 3979.610       159.8218 3928.382       280.9082 4004.129       194.3419 364.4954 13.16241 368.9186 8.982255 -4.423279      15.93518 
1 1 1 10  16 21 o 300.6344 7.175831 2656.320       126.5206 2555.187       240.4948 2695.021       148.7722 293.6003 14.00726 302.5757 8.391830 -8.975464      16.32869 
1 1 1 10  16 22 o 51.05863 16.01086 76.58789       53.34143 -83.59040      178.9236 92.21294       55.88258 56.57684 25.50917 55.25962 16.19901 1.317219       30.21797 
1 1 1 10  16 23 o 74.49869 13.28347 168.9276       55.90898 470.2779       184.2795 138.3772       58.67456 122.4384 26.43801 67.01855 15.26983 55.41980       30.53091 
1 1 1 10  16 24 o 206.5649 7.158685 1255.729       86.59312 1623.126       221.4532 1189.415       94.08397 233.2721 16.28944 200.9387 7.999637 32.33337       18.14773 
1 1 1 10  16 25 o 106.7497 10.50943 339.0685       64.94320 150.0578       200.9009 361.1244       68.62781 80.95623 30.72167 110.1620 10.75927 -29.20581      32.55124 
1 1 1 10  16 26 o 426.1064 8.103568 5340.439       202.5093 5841.964       388.1519 5152.868       237.3770 443.8115 14.93385 418.2862 9.676414 25.52527       17.79474 
1 1 1 10  16 27 o 68.19627 17.18503 143.6537       68.69466 -386.1484      226.9500 197.0894       72.07572 49.90259 24.28138 80.12923 15.89861 -30.22664      29.02329 
1 1 1 10  16 28 f 195.1674 7.999116 1122.577       91.36472 1223.116       192.7669 1093.448       103.7594 202.1706 16.39854 192.4550 9.219614 9.715591       18.81259 
1 1 1 10  16 29 o 63.68752 17.31468 124.9589       66.35841 138.6722       67.29295 -358.5130      399.5611 66.93979 17.08565 75.21494 35.36983 -8.275154      39.28033 
1 1 1 10  16 30 o 368.4559 8.413701 3999.460       181.8122 3977.792       196.4017 4129.267       480.7057 367.3087 9.117245 368.6662 22.33768 -1.357513      24.12667 
1 1 1 10  16 31 o 306.0537 8.400985 2762.703       150.6494 2754.617       161.6618 2816.059       415.2784 305.4673 9.033784 303.1101 23.54537 2.357178       25.21892 
1 1 1 10  16 32 o 179.8077 10.43529 959.1896       109.5704 986.9355       113.5387 582.9523       418.0956 182.3519 10.66306 131.9815 45.03531 50.37041       46.28045 
1 1 1 10  16 33 f 75.49062 19.98089 178.9426       89.83129 188.9117       92.32148 1.587407       389.4000 77.50265 20.13257 88.54205 38.90199 -11.03940      43.80280 
1 1 1 10  16 34 o 108.2411 15.67581 358.5267       96.61802 360.5861       99.17236 320.0853       428.4630 108.4432 16.07967 109.7654 43.92118 -1.322273      46.77206 
1 1 1 10  16 35 o 186.6734 10.19521 1037.320       111.1930 1054.745       115.2399 802.2194       423.2972 188.1589 10.48452 145.9302 44.99884 42.22871       46.20412 
1 1 1 10  16 36 o 58.53254 20.66172 96.52690       88.35744 102.9819       90.53575 -32.79269      405.2339 59.93665 20.93377 84.52327 38.22328 -24.58662      43.58029 
1 1 1 10  16 37 o 38.90063 17.58926 -38.61606      85.77583 -38.87695      87.81833 -33.20242      400.0392 39.40203 17.80848 82.80102 37.65519 -43.39899      41.65400 
1 1 1 10  16 38 o 139.6012 12.20825 590.7493       98.94756 549.2042       101.5823 1360.626       437.2889 134.2482 13.06722 187.3473 40.94494 -53.09912      42.97953 
1 1 1 10  16 39 o 33.10306 15.89502 -119.1956      89.55282 -106.3313      92.16199 -336.7919      379.0393 34.66525 16.50225 67.59319 32.51919 -32.92793      36.46672 
1 1 1 10  16 40 f 70.24033 21.00318 162.3795       93.19023 160.3239       95.82295 198.2536       400.3054 69.85625 21.38595 90.24364 39.55243 -20.38740      44.96392 
1 1 1 10  16 41 o 46.42448 21.81434 -117.4867      151.4743 -60.49819      163.2440 -470.4885      406.2862 52.14310 23.84362 64.80305 31.73717 -12.65996      39.69592 
1 1 1 10  16 42 o 108.0975 18.10579 378.9046       110.7290 394.4318       114.6396 162.8949       427.5873 110.1737 18.38995 87.05415 39.32551 23.11950       43.41297 
1 1 1 10  16 43 o 132.9211 14.65196 554.2070       112.3268 565.5793       116.5415 405.4559       421.4896 134.0341 15.08744 97.74113 41.69531 36.29298       44.34106 
1 1 1 10  16 44 o 133.1629 15.38738 561.5190       117.9626 586.1279       123.0003 279.4221       416.4460 135.8606 15.72709 89.77168 39.80052 46.08888       42.79513 
1 1 1 10  16 45 o 50.36469 21.80469 19.31243       118.5320 103.8471       124.4209 -810.8362      389.9004 60.98723 23.89911 54.03477 27.18886 6.952465       36.19947 
1 1 1 10  16 46 o 124.4609 19.17554 514.8564       135.4802 558.8322       144.2364 185.2972       394.8524 129.4022 19.62021 82.77193 37.55063 46.63030       42.36747 
1 1 1 10  17 0  o 958.6840 15.06578 27034.68       847.0666 31834.51       1661.380 25348.65       984.6646 1036.275 27.36046 927.6710 18.09855 108.6044       32.80476 
1 1 1 10  17 1  o 452.9056 8.767024 6021.365       232.8683 5897.930       453.1490 6065.659       271.4536 447.2247 17.30954 454.4845 10.18418 -7.259827      20.08327 
1 1 1 10  17 2  o 145.0051 8.515992 619.3190       72.10294 0.000000       0.000000 619.3190       72.10294 ?        ?        145.0051 8.515992 0.000000       8.515992 
1 1 1 10  17 3  o 529.8391 12.61768 8250.648       392.0794 8551.200       537.5845 7909.092       573.0844 538.6377 17.03908 517.6907 18.90723 20.94702       25.45218 
1 1 1 10  17 4  o 299.5919 11.56633 2641.007       202.8429 2725.792       323.1597 2585.885       260.5672 303.6111 18.23286 296.0900 15.05474 7.521088       23.64492 
1 1 1 10  17 5  o 136.0750 9.393467 546.2748       74.50433 524.4061       81.05537 665.3931       189.1732 133.2104 10.45894 148.4474 22.42752 -15.23705      24.74638 
1 1 1 10  17 6  o 459.7285 9.743784 6206.916       262.7118 6133.426       309.2122 6397.632       498.1256 456.7146 11.55340 465.5053 18.28138 -8.790710      21.62614 
1 1 1 10  17 7  o 474.3745 9.874516 6609.529       274.7184 6609.031       325.7959 6610.753       511.0421 474.1994 11.71478 473.1065 18.45359 1.092896       21.85798 
1 1 1 10  17 8  o 325.5866 10.27904 3117.437       196.0311 2998.989       244.5110 3330.560       327.9812 319.0473 13.09534 335.7736 16.70776 -16.72632      21.22822 
1 1 1 10  17 9  o 217.7222 10.97587 1396.706       139.6977 1396.706       139.6977 0.000000       0.000000 217.7222 10.97587 ?        ?        0.000000       10.97587 
1 1 1 10  17 10 o 405.3984 10.67214 4833.672       253.5164 4833.672       253.5164 0.000000       0.000000 405.3984 10.67214 ?        ?        0.000000       10.67214 
1 1 1 10  17 11 o 208.4745 8.223856 1278.298       100.3520 1184.344       124.3805 1453.515       169.8565 200.4460 10.61834 221.8436 13.11374 -21.39763      16.87362 
1 1 1 10  17 12 o 152.7700 7.831392 687.1470       69.93198 674.3653       87.20663 710.1744       117.0521 151.1553 9.891643 154.7782 13.01538 -3.622971      16.34762 
1 1 1 10  17 13 o 379.3254 8.823305 4227.664       196.2880 3926.614       307.2010 4435.373       255.1704 364.6955 14.39114 388.1357 11.22154 -23.44016      18.24905 
1 1 1 10  17 14 o 266.4847 5.956593 2084.448       93.09380 2009.352       137.6758 2147.707       126.3599 261.3226 8.996595 270.2756 7.980458 -8.953033      12.02607 
1 1 1 10  17 15 o 437.3156 7.012197 5616.378       179.8455 5151.100       248.7810 6125.697       260.2891 418.4712 10.13680 456.4015 9.724302 -37.93033      14.04695 
1 1 1 10  17 16 o 244.0308 5.950831 1748.302       85.16728 1637.885       131.7731 1827.516       111.6115 235.7912 9.548785 249.2871 7.643146 -13.49593      12.23098 
1 1 1 10  17 17 o 605.4944 8.602447 10779.03       305.4799 10508.72       438.9351 11032.94       425.4100 596.9762 12.53697 611.8644 11.85501 -14.88824      17.25448 
1 1 1 10  17 18 o 535.8715 8.016440 8441.187       251.9375 8167.210       358.9750 8707.127       353.6710 526.3943 11.62793 543.6406 11.09269 -17.24628      16.07036 
1 1 1 10  17 19 o 121.0132 7.786394 432.2544       54.96786 272.9288       126.1956 469.5608       61.06511 93.64187 23.11917 126.0940 8.303709 -32.45213      24.56518 
1 1 1 10  17 20 o 64.97406 12.63686 128.8720       46.41953 -3.015198      184.6620 137.7680       47.95953 63.88353 27.43255 67.23418 12.62636 -3.350658      30.19883 
1 1 1 10  17 21 o 223.9493 6.979402 1475.385       91.55624 1218.926       206.4852 1538.145       102.1466 201.7170 17.63108 228.5974 7.629761 -26.88042      19.21115 
1 1 1 10  17 22 o 170.9788 7.172759 860.8245       71.76508 701.7540       183.4435 889.5688       77.98000 151.7327 21.19174 173.7637 7.670883 -22.03101      22.53736 
1 1 1 10  17 23 o 48.09432 22.67682 -177.9466      166.2116 -73.50945      189.8700 -520.4334      343.8355 59.25160 26.53162 62.93242 30.44818 -3.680820      40.38587 
1 1 1 10  17 24 o 478.2256 9.547130 6734.922       267.7665 6839.606       315.3893 6464.657       506.7614 481.5519 11.16743 465.4262 18.60279 16.12573       21.69735 
1 1 1 10  17 25 o 120.3594 11.24181 430.9362       78.43572 451.0110       79.95306 -82.95809      404.5264 123.1620 11.19105 88.46385 39.22342 34.69815       40.78868 
1 1 1 10  17 26 o 160.2672 10.27210 760.0536       96.04215 780.6328       98.81549 408.7920       408.2505 162.4087 10.42958 120.7572 44.18602 41.65144       45.40023 
1 1 1 10  17 27 o 266.5276 8.821748 2093.631       137.7046 2009.795       145.5523 2808.797       425.1167 261.0212 9.524046 304.1699 24.02593 -43.14874      25.84478 
1 1 1 10  17 28 o 349.2762 8.229255 3590.961       168.5699 3641.169       182.8278 3306.203       435.4063 351.4901 8.876183 330.3558 22.60936 21.13431       24.28929 
1 1 1 10  17 29 f 97.03022 13.65144 284.5726       75.53975 291.0252       77.17972 137.5578       368.3953 98.11452 13.79310 96.33011 39.89631 1.784416       42.21333 
1 1 1 10  17 30 o 35.88865 15.93324 -22.63043      66.96930 -30.62872      67.89487 264.7424       406.9690 35.20938 15.80798 107.5338 42.87986 -72.32440      45.70092 
1 1 1 10  17 31 o 375.2090 8.416574 4150.407       185.2077 4206.397       201.5281 3846.121       469.8097 377.5608 9.101191 354.6614 22.70621 22.89941       24.46230 
1 1 1 10  17 32 o 213.9321 9.643680 1354.935       120.6844 1384.353       126.3949 1051.259       406.0953 216.1706 9.996774 175.2004 40.35459 40.97021       41.57437 
1 1 1 10  17 33 o 152.9161 11.24563 697.3311       100.1473 678.7594       102.7839 1045.457       445.0072 150.7472 11.71783 170.9030 44.10298 -20.15579      45.63310 
1 1 1 10  17 34 o 230.5413 9.098309 1574.869       122.7740 1583.618       128.7477 1487.092       407.7895 231.0683 9.520940 210.5712 34.19255 20.49706       35.49336 
1 1 1 10  17 35 o 273.3113 8.579657 2213.713       137.3535 2213.929       144.9428 2211.811       430.1134 273.1599 9.060050 259.9053 28.69455 13.25455       30.09089 
1 1 1 10  17 36 o 210.4533 9.268096 1318.354       114.1118 1344.935       118.7367 996.9509       412.8812 212.4702 9.553199 159.7643 43.08584 52.70587       44.13222 
1 1 1 10  17 37 o 98.45728 16.54097 304.4468       92.12890 332.2811       95.11203 -118.5123      370.7614 103.0548 16.27658 75.93839 35.15951 27.11638       38.74427 
1 1 1 10  17 38 o 49.74360 19.95447 45.64155       88.67029 47.50935       90.58936 2.952722       433.0809 50.36699 20.18132 85.27924 38.93516 -34.91224      43.85468 
1 1 1 10  17 39 o 173.8530 11.16324 912.7142       113.2197 939.6906       117.9054 593.4146       405.6401 176.2735 11.46727 117.4069 43.84715 58.86665       45.32185 
1 1 1 10  17 40 o 138.1230 13.53462 587.6602       108.2324 599.7991       112.5433 438.2509       394.8376 139.3447 13.95918 104.0345 41.97637 35.31011       44.23657 
1 1 1 10  17 41 o 163.4551 12.48686 817.6525       118.7961 834.8528       123.7865 617.1382       422.6468 164.9455 12.89874 114.4882 44.27753 50.45736       46.11808 
1 1 1 10  17 42 o 148.9137 13.76288 688.0367       118.8378 690.7499       123.4190 653.5122       440.2578 148.8828 14.31077 113.9857 44.86914 34.89706       47.09605 
1 1 1 10  17 43 o 150.3257 14.08426 705.2315       122.7244 743.7590       129.0538 341.1051       396.7450 154.1715 14.44110 93.11482 40.10015 61.05669       42.62121 
1 1 1 10  17 44 o 73.88633 23.54794 190.3502       114.9603 178.6795       120.8533 301.3410       372.6959 71.93588 24.21568 89.40248 38.68493 -17.46660      45.63905 
1 1 1 10  17 45 o 113.3108 19.65747 430.0629       125.8979 401.4850       133.4231 662.1838       380.2535 107.8625 21.84156 112.8984 42.39320 -5.035881      47.68896 
1 1 1 10  17 46 o 46.38689 21.24217 -45.76263      130.1881 -56.55029      138.4854 36.25535       381.8519 47.03281 21.67350 75.22741 35.11716 -28.19460      41.26689 
1 1 1 10  18 0  o 493.0901 10.46809 7142.184       302.7223 0.000000       0.000000 7142.184       302.7223 ?        ?        493.0901 10.46809 0.000000       10.46809 
1 1 1 10  18 1  o 411.8150 9.348632 4980.051       225.7879 0.000000       0.000000 4980.051       225.7879 ?        ?        411.8150 9.348632 0.000000       9.348632 
1 1 1 10  18 2  o 816.5239 16.10316 19633.17       771.1350 0.000000       0.000000 19633.17       771.1350 ?        ?        816.5239 16.10316 0.000000       16.10316 
1 1 1 10  18 3  o 725.2830 11.51098 15459.45       489.6327 14382.37       755.2368 16240.42       643.0937 698.1122 18.46243 742.8492 14.76125 -44.73706      23.63801 
1 1 1 10  18 4  o 278.4346 7.252465 2276.946       118.3286 2486.465       328.7910 2245.771       126.8266 289.6110 19.47087 276.4844 7.829368 13.12656       20.98604 
1 1 1 10  18 5  o 263.8975 7.211817 2045.583       111.5124 2381.519       319.0533 1998.835       119.0186 283.3964 19.31172 260.8258 7.789342 22.57062       20.82346 
1 1 1 10  18 6  o 495.9159 8.898970 7222.298       258.8203 7130.616       472.2700 7261.655       309.4250 491.6236 16.40271 497.1110 10.61333 -5.487396      19.53693 
1 1 1 10  18 7  o 694.3546 11.15835 14172.09       454.3930 14351.80       767.2957 14075.03       563.9096 696.9514 18.78910 691.5109 13.90465 5.440491       23.37455 
1 1 1 10  18 8  o 380.2776 16.20127 4270.931       360.4991 4270.931       360.4991 0.000000       0.000000 380.2776 16.20127 ?        ?        0.000000       16.20127 
1 1 1 10  18 9  o 609.2321 11.36369 10914.42       406.0249 10074.29       539.7363 12009.63       616.2534 584.3527 15.76351 637.8763 16.48681 -53.52362      22.81015 
1 1 1 10  18 10 o 304.0679 11.33440 2722.968       201.7711 2508.976       252.4238 3101.647       335.7893 291.4008 14.81894 323.5756 17.76273 -32.17480      23.13257 
1 1 1 10  18 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  18 12 o 333.1185 7.521780 3258.935       146.9501 2858.953       249.4518 3471.510       181.8541 311.1650 13.70287 343.5786 9.032822 -32.41354      16.41221 
1 1 1 10  18 13 o 290.4423 11.21663 2486.325       190.7021 2647.038       240.5424 2214.396       312.8926 299.3217 13.73924 272.5859 19.70530 26.73584       24.02218 
1 1 1 10  18 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  18 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  18 16 f 538.9233 11.20019 8555.371       353.9998 7859.929       432.3313 9970.270       616.6641 515.6262 14.31039 579.3790 18.17074 -63.75281      23.12927 
1 1 1 10  18 17 o 340.7501 10.88108 3423.803       217.1709 3378.593       265.3417 3515.541       377.9731 338.0037 13.41209 343.4070 18.83944 -5.403290      23.12593 
1 1 1 10  18 18 o 82.52679 28.16154 192.1727       163.4870 196.0888       194.8855 182.8708       300.3594 85.79277 30.64504 94.72501 37.12888 -8.932243      48.14221 
1 1 1 10  18 19 o 165.8494 7.448625 810.1787       72.26546 792.0374       73.69327 1264.780       368.9003 163.9546 7.685357 200.8787 32.41626 -36.92413      33.31484 
1 1 1 10  18 20 o 179.7936 7.837063 952.3753       82.43916 941.8723       84.55391 1154.501       370.9269 178.7705 8.085614 190.8192 34.41052 -12.04871      35.34771 
1 1 1 10  18 21 o 167.0201 8.314520 822.6947       81.18742 794.9796       83.26817 1356.557       365.4559 164.1329 8.681202 208.5268 30.80937 -44.39384      32.00907 
1 1 1 10  18 22 o 115.9279 10.54175 399.3854       70.88923 434.7619       72.66956 -296.1925      322.2314 121.0224 10.33738 68.13474 31.95259 52.88763       33.58318 
1 1 1 10  18 23 o 63.12463 15.99978 122.7907       59.30043 122.7907       59.30043 0.000000       0.000000 63.12463 15.99978 ?        ?        0.000000       15.99978 
1 1 1 10  18 24 o 298.5455 9.290899 2626.626       162.4763 2567.059       176.7077 2952.391       413.2409 294.9820 10.22980 312.8197 22.67868 -17.83774      24.87914 
1 1 1 10  18 25 o 361.7672 9.141363 3855.475       193.7950 3714.077       213.7984 4506.801       458.8619 354.8498 10.28413 387.7679 20.24728 -32.91812      22.70938 
1 1 1 10  18 26 o 188.0733 9.547613 1044.641       104.9662 1005.417       109.4382 1495.361       370.9803 184.4123 10.15802 219.3247 29.59576 -34.91243      31.29049 
1 1 1 10  18 27 o 77.34500 16.15936 184.3920       70.93395 196.6882       72.41662 -106.7053      352.3478 79.96456 16.00055 80.62350 36.11903 -0.6589355     39.50445 
1 1 1 10  18 28 o 334.9948 9.153233 3309.911       179.6618 3450.280       201.2074 2757.770       399.0553 341.8282 10.04748 301.1964 22.75928 40.63177       24.87843 
1 1 1 10  18 29 o 346.7653 9.139125 3548.633       185.7000 3551.606       204.3850 3534.565       444.5655 346.6769 10.06314 340.7425 22.37008 5.934418       24.52931 
1 1 1 10  18 30 o 252.6030 9.382904 1885.860       138.7621 1896.653       146.6701 1793.797       428.3774 253.2148 9.895528 237.1060 31.59125 16.10884       33.10481 
1 1 1 10  18 31 o 182.9632 10.01150 992.3372       107.0176 1013.981       111.5686 743.1572       378.5606 184.8895 10.33022 146.7249 41.91119 38.16460       43.16550 
1 1 1 10  18 32 o 168.3246 10.90180 842.9943       107.0419 858.1984       110.2890 596.1329       444.4037 169.7889 11.13722 131.9583 46.35801 37.83060       47.67707 
1 1 1 10  18 33 o 109.4216 14.39367 364.1833       90.13102 376.9174       92.57803 132.8076       394.6241 111.3115 14.52769 95.26604 40.48177 16.04544       43.00962 
1 1 1 10  18 34 o 101.4466 14.92306 316.0075       86.13554 335.2854       88.19866 -81.65655      400.5810 104.5908 14.79092 83.07108 37.73984 21.51969       40.53476 
1 1 1 10  18 35 o 211.9703 9.434469 1337.143       116.9913 1299.925       121.5583 1804.707       430.8560 208.8207 9.954349 229.3773 32.97461 -20.55669      34.44436 
1 1 1 10  18 36 o 57.60946 20.45855 93.92587       86.73740 85.84031       88.78312 263.3393       406.3959 56.43081 20.61243 98.71701 41.46912 -42.28620      46.30939 
1 1 1 10  18 37 o 74.15693 19.91649 178.7708       88.44444 172.2846       90.51134 315.9419       416.2370 72.80115 20.39111 100.9182 42.15158 -28.11705      46.82470 
1 1 1 10  18 38 o 124.9839 14.88222 483.8911       106.9467 491.4761       110.3348 366.0462       434.9024 125.8001 15.26692 102.8344 43.02875 22.96568       45.65690 
1 1 1 10  18 39 o 62.43220 21.49671 120.4950       95.31560 144.4082       98.51306 -230.0482      377.1776 66.91867 21.84059 69.91573 33.31150 -2.997055      39.83300 
1 1 1 10  18 40 o 131.0525 14.15902 532.7521       107.0993 500.3154       110.9271 978.5701       411.2428 126.4053 15.27233 146.7490 44.17672 -20.34369      46.74213 
1 1 1 10  18 41 o 59.55196 22.35833 100.6024       105.7608 90.05909       109.1799 261.0747       425.9452 58.36588 22.52258 91.62569 40.45463 -33.25980      46.30166 
1 1 1 10  18 42 o 97.29562 20.06734 316.8619       110.7040 338.3424       114.5344 11.73668       431.6716 100.5916 20.11773 79.75922 37.26723 20.83240       42.35055 
1 1 1 10  18 43 o 59.63986 22.92575 99.82779       112.8154 90.04819       117.3230 219.8106       410.9437 58.76929 23.15374 86.68022 38.90601 -27.91093      45.27441 
1 1 1 10  18 44 o 77.51099 23.79543 213.1627       118.5274 228.3511       124.0076 52.62628       403.1619 79.87730 24.30419 77.93347 36.28125 1.943832       43.66946 
1 1 1 10  18 45 o 46.79977 21.18419 -30.04691      124.8278 -71.79252      130.4313 424.7219       430.4985 44.63149 20.72970 95.19895 41.38248 -50.56746      46.28423 
1 1 1 10  19 0  o 302.7015 8.760866 2693.025       155.3657 3157.460       350.6715 2579.593       173.3033 326.5926 18.38231 296.1494 9.992352 30.44315       20.92263 
1 1 1 10  19 1  f 140.7208 9.379702 584.2192       76.96820 0.000000       0.000000 584.2192       76.96820 ?        ?        140.7208 9.379702 0.000000       9.379702 
1 1 1 10  19 2  o 395.1982 7.811646 4585.214       181.0540 5689.887       436.5147 4355.684       198.9767 438.9567 16.98820 385.1183 8.809628 53.83838       19.13657 
1 1 1 10  19 3  o 450.7453 8.474901 5966.144       224.0352 6642.627       463.0880 5759.433       255.9857 474.3701 16.67138 442.7580 9.858224 31.61203       19.36800 
1 1 1 10  19 4  o 257.4132 7.223897 1946.606       108.9490 2325.963       326.9285 1899.213       115.5543 279.8096 20.05532 254.2218 7.759460 25.58781       21.50407 
1 1 1 10  19 5  o 49.99572 16.51724 70.13548       56.27362 -199.2910      271.7148 82.20980       57.52075 66.10916 30.42599 53.07829 16.62367 13.03087       34.67113 
1 1 1 10  19 6  o 632.0626 17.80409 11804.14       659.3219 11804.14       659.3219 0.000000       0.000000 632.0626 17.80409 ?        ?        0.000000       17.80409 
1 1 1 10  19 7  o 250.1865 7.763971 1839.724       113.7817 0.000000       0.000000 1839.724       113.7817 ?        ?        250.1865 7.763971 0.000000       7.763971 
1 1 1 10  19 8  o 492.1359 8.811263 7115.196       254.3160 6605.059       412.1834 7428.772       323.1604 473.1351 14.87286 502.6113 10.96315 -29.47626      18.47681 
1 1 1 10  19 9  o 661.4668 16.57775 12926.67       642.6014 0.000000       0.000000 12926.67       642.6014 ?        ?        661.4668 16.57775 0.000000       16.57775 
1 1 1 10  19 10 o 882.5063 15.67038 22987.97       811.0502 21570.12       1040.501 25183.30       1294.726 852.7373 20.80542 919.3372 24.03395 -66.59991      31.78831 
1 1 1 10  19 11 o 796.2319 11.72034 18663.91       547.3062 18511.04       923.7894 18746.60       679.3759 789.7899 19.95993 797.1561 14.53169 -7.366150      24.68945 
1 1 1 10  19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  19 13 o 193.8904 15.05637 1117.134       169.8683 1118.705       209.2562 1114.098       290.8831 193.3432 18.68699 190.9802 26.69903 2.362961       32.58899 
1 1 1 10  19 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  19 15 o 680.0924 12.90616 13647.04       514.7729 13283.92       682.6893 14125.60       783.7208 669.0778 17.41266 688.9792 19.41503 -19.90137      26.07957 
1 1 1 10  19 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  19 17 o 131.5396 21.19279 529.2528       157.9373 630.8120       183.7349 241.8438       309.0882 143.5149 22.57418 100.5189 38.11522 42.99600       44.29858 
1 1 1 10  19 18 o 46.98723 22.19821 -178.3063      160.7054 -154.9476      181.2573 -264.1443      347.4645 52.41619 24.37660 73.04073 33.89371 -20.62455      41.74928 
1 1 1 10  19 19 o 287.1935 12.19763 2439.563       204.9795 2410.734       240.5320 2516.035       391.7586 284.9988 14.43765 288.4306 23.35909 -3.431824      27.46075 
1 1 1 10  19 20 o 312.8768 11.94792 2894.149       218.8352 2929.596       260.6917 2809.573       402.6770 314.2692 14.18062 305.0542 22.66964 9.214935       26.73953 
1 1 1 10  19 21 o 168.4845 7.724103 836.5212       76.12048 828.9690       78.17172 974.7867       334.4798 167.6938 7.971267 175.0551 33.80353 -7.361359      34.73067 
1 1 1 10  19 22 o 185.2806 8.392348 1012.049       90.95676 1020.393       93.61588 871.4088       384.3545 186.0191 8.604380 163.1874 40.38181 22.83165       41.28833 
1 1 1 10  19 23 o 64.86478 16.61715 129.6982       63.49095 142.1532       64.24117 -394.2376      416.6601 67.86602 16.33765 76.52686 36.02776 -8.660835      39.55905 
1 1 1 10  19 24 o 368.5176 9.569494 4002.359       206.6475 3992.050       227.2860 4051.512       496.3085 367.8450 10.54644 366.3514 23.21900 1.493591       25.50195 
1 1 1 10  19 25 o 54.89479 25.49590 -161.9727      197.2821 -134.6638      228.3124 -242.4547      391.9462 61.83343 28.24560 79.32532 36.52098 -17.49189      46.16921 
1 1 1 10  19 26 o 341.1331 9.172875 3430.595       183.3520 3454.532       201.9389 3318.227       437.5292 342.1359 10.07498 331.0629 22.67124 11.07300       24.80908 
1 1 1 10  19 27 o 92.73807 14.41340 261.1133       75.84779 249.8810       77.22605 567.3935       403.2643 90.53951 15.07343 132.6158 44.22906 -42.07632      46.72705 
1 1 1 10  19 28 o 126.3520 12.26011 477.1613       89.70989 478.3346       91.92873 453.7324       410.7944 126.4495 12.56199 122.2779 44.38685 4.171638       46.13021 
1 1 1 10  19 29 o 120.5677 12.49097 435.5509       87.04578 463.1930       89.54197 -39.59598      371.2403 124.3829 12.44163 85.29465 37.70854 39.08825       39.70804 
1 1 1 10  19 30 f 47.12137 18.62279 38.73780       76.11146 36.44166       77.53842 99.40498       398.5608 47.06218 18.73311 95.46765 40.62949 -48.40547      44.74020 
1 1 1 10  19 31 o 182.7409 10.40212 991.4106       111.0225 993.4579       114.7272 961.2363       440.4395 182.8551 10.74552 164.5103 44.55832 18.34482       45.83568 
1 1 1 10  19 32 f 43.30780 18.52783 1.092957       83.65730 -11.23580      85.33541 305.3469       423.9237 42.21719 18.38712 108.6147 43.61012 -66.39755      47.32789 
1 1 1 10  19 33 o 46.97425 18.94909 33.77695       80.44079 60.77613       82.05341 -632.9296      407.7450 51.64020 19.62505 65.19154 31.89938 -13.55134      37.45281 
1 1 1 10  19 34 o 39.62664 17.59820 -23.32657      81.75967 -20.61714      83.36915 -91.47399      418.1099 40.35119 17.85293 83.31995 38.12228 -42.96875      42.09555 
1 1 1 10  19 35 o 230.7722 9.022259 1584.093       121.8742 1578.538       126.8748 1650.425       438.4237 230.2213 9.416660 214.8861 36.06491 15.33519       37.27401 
1 1 1 10  19 36 o 55.73898 20.91206 79.53234       92.48629 57.06199       94.76414 530.1597       424.3731 52.60990 20.78359 116.0051 44.49723 -63.39517      49.11172 
1 1 1 10  19 37 o 42.29977 18.76493 -20.41848      92.70821 4.806332       94.76485 -582.7158      447.4210 45.57448 19.61212 67.47929 33.10085 -21.90482      38.47469 
1 1 1 10  19 38 o 65.19380 21.99150 133.6774       99.67133 154.4286       102.3126 -252.7298      441.4997 69.02473 22.23688 74.98695 35.81407 -5.962219      42.15598 
1 1 1 10  19 39 o 167.8891 11.44581 855.1052       112.0249 853.8659       115.8924 872.7493       437.2836 167.5571 11.87032 135.5799 46.06078 31.97717       47.56574 
1 1 1 10  19 40 o 124.6680 15.47460 488.7120       110.7145 486.9479       114.5223 513.9238       432.9471 124.0969 16.11570 107.0014 43.66692 17.09555       46.54585 
1 1 1 10  19 41 o 161.2837 12.68976 800.0900       119.0651 831.5781       123.3393 369.2399       456.2378 164.3155 12.90231 96.76166 42.32185 67.55388       44.24487 
1 1 1 10  19 42 o 113.3910 17.89883 418.7612       115.0848 418.4572       118.7882 423.4102       464.5193 112.9287 18.58140 97.89092 42.76241 15.03780       46.62501 
1 1 1 10  19 43 o 122.9117 17.50626 490.6517       122.6305 490.9981       127.7849 486.6152       436.1745 122.3786 18.37092 100.0921 42.54710 22.28645       46.34378 
1 1 1 10  19 44 o 60.05832 23.38144 101.7538       118.4545 97.90654       124.2522 140.1175       392.3611 60.10992 23.78219 80.77934 36.94850 -20.66943      43.94069 
1 1 1 10  19 45 o 132.2249 17.31820 569.8227       131.0722 555.4200       137.3745 716.0760       437.7611 129.5569 18.61359 111.3841 44.45344 18.17274       48.19309 
1 1 1 10  20 0  o 365.4927 8.750306 3923.837       187.5653 0.000000       0.000000 3923.837       187.5653 ?        ?        365.4927 8.750306 0.000000       8.750306 
1 1 1 10  20 1  o 380.9730 7.707747 4261.678       172.2155 5432.770       412.2749 4014.142       189.5444 428.8386 16.42275 369.6735 8.742631 59.16507       18.60485 
1 1 1 10  20 2  o 286.7647 7.182449 2415.713       120.6999 3238.501       346.6013 2302.163       128.7594 330.6568 17.94039 279.8902 7.851818 50.76660       19.58338 
1 1 1 10  20 3  o 357.8045 7.612001 3759.117       159.7332 4387.934       370.0674 3615.141       177.0781 385.3042 16.41431 350.8211 8.606542 34.48312       18.53381 
1 1 1 10  20 4  o 94.18713 11.33645 264.6547       61.36335 430.1654       257.3367 254.6762       63.18605 118.3384 34.78115 92.27750 11.95628 26.06094       36.77881 
1 1 1 10  20 5  o 94.56535 10.75704 266.3305       58.59974 96.15652       254.5915 275.8505       60.21655 83.22417 33.66128 96.24836 10.85697 -13.02419      35.36885 
1 1 1 10  20 6  o 446.4084 9.750966 5857.622       255.2881 0.000000       0.000000 5857.622       255.2881 ?        ?        446.4084 9.750966 0.000000       9.750966 
1 1 1 10  20 7  o 490.7705 8.695512 7076.833       250.2788 7024.517       432.5500 7103.163       306.8637 487.7419 15.13986 491.4396 10.64694 -3.697754      18.50872 
1 1 1 10  20 8  o 275.1156 6.958254 2223.861       112.1805 2944.997       278.5402 2084.244       122.5598 315.5623 15.09431 266.2603 7.857176 49.30209       17.01686 
1 1 1 10  20 9  o 37.41340 15.32863 13.90119       53.61147 367.4801       203.5576 -12.45289      55.57354 108.9155 30.60591 33.78241 14.77342 75.13310       33.98493 
1 1 1 10  20 10 o 420.8105 13.82284 5228.899       340.6785 5228.899       340.6785 0.000000       0.000000 420.8105 13.82284 ?        ?        0.000000       13.82284 
1 1 1 10  20 11 o 200.0001 13.86855 1185.900       161.6641 1008.956       198.5230 1534.229       278.5410 183.5261 18.70552 226.1172 21.25333 -42.59113      28.31255 
1 1 1 10  20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  20 13 o 216.7310 13.48621 1391.802       170.5705 1143.870       202.2188 2003.204       317.5549 195.5920 17.82431 258.4483 21.13492 -62.85632      27.64762 
1 1 1 10  20 14 o 376.3947 10.41660 4174.951       229.7219 3725.511       274.9583 5213.847       418.0392 354.9977 13.22974 418.9863 17.04805 -63.98865      21.57920 
1 1 1 10  20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  20 16 o 220.3860 13.38173 1440.486       172.1454 1396.275       203.8939 1550.227       321.2336 216.3994 16.18282 225.7298 24.66606 -9.330444      29.50081 
1 1 1 10  20 17 o 292.3020 11.90469 2525.674       203.6529 2515.008       248.3796 2547.553       355.7447 291.0982 14.59532 291.1420 20.97510 -0.4379272E-01 25.55343 
1 1 1 10  20 18 o 325.7866 11.47024 3135.332       218.8156 3088.328       263.2762 3240.331       393.4933 322.7678 13.94107 328.5884 20.52145 -5.820587      24.80894 
1 1 1 10  20 19 o 220.3553 14.20449 1443.343       182.5913 1345.265       208.1419 1770.873       380.3635 212.1094 16.87096 240.0541 27.51375 -27.94463      32.27438 
1 1 1 10  20 20 o 301.9113 11.55092 2693.783       204.1478 2651.038       239.1115 2808.732       392.1099 299.0381 13.67016 305.2198 22.05379 -6.181702      25.94693 
1 1 1 10  20 21 o 300.9489 13.02014 2682.049       229.2611 2780.341       277.1315 2468.928       408.0738 305.8067 15.50271 285.1246 24.64529 20.68210       29.11571 
1 1 1 10  20 22 o 147.7932 24.82636 675.2766       207.5661 806.4161       239.3327 277.2928       416.9348 161.3970 26.18086 111.4661 43.72863 49.93089       50.96696 
1 1 1 10  20 23 o 209.5630 17.89616 1316.531       217.8476 1251.528       258.2112 1477.071       405.7913 203.1457 22.02484 216.8199 32.94739 -13.67413      39.63110 
1 1 1 10  20 24 o 150.7499 9.892330 672.4963       86.97608 636.3525       89.12141 1396.245       398.8029 146.5482 10.43766 210.2430 33.46399 -63.69478      35.05401 
1 1 1 10  20 25 o 319.8746 9.249687 3016.862       173.3409 3072.942       190.3329 2744.182       419.6978 322.6740 10.07004 300.3605 24.02574 22.31348       26.05075 
1 1 1 10  20 26 o 391.2016 9.301637 4510.539       213.4079 4515.226       241.0958 4493.576       458.6555 390.9890 10.52373 386.2981 20.31622 4.690887       22.88007 
1 1 1 10  20 27 o 98.39782 14.62103 293.9004       81.81420 284.5614       83.94487 470.8951       365.4483 96.63367 15.32272 122.2060 42.09176 -25.57232      44.79399 
1 1 1 10  20 28 o 277.0646 9.288815 2267.517       150.7223 2247.550       160.5097 2416.428       438.3315 275.6945 9.943390 278.6457 27.16714 -2.951141      28.92965 
1 1 1 10  20 29 o 220.5842 9.789295 1440.153       126.3261 1437.290       132.5286 1468.609       417.8227 220.2582 10.28795 212.0753 34.79910 8.182846       36.28800 
1 1 1 10  20 30 o 53.85346 20.13095 68.39360       85.54401 67.88801       87.87394 77.55034       373.9651 54.16143 20.37043 91.51118 39.16213 -37.34976      44.14325 
1 1 1 10  20 31 o 198.4337 18.07607 1199.010       208.0564 1219.703       236.9318 1129.298       434.8768 199.0789 20.58988 178.9811 42.13318 20.09779       46.89508 
1 1 1 10  20 32 o 121.5611 13.88775 447.7491       97.23502 447.6010       100.7375 449.7682       371.9849 121.3867 14.43266 116.1808 42.22875 5.205902       44.62700 
1 1 1 10  20 33 o 216.4886 9.541300 1393.287       120.8440 1502.151       126.5146 259.9168       408.2104 224.7775 9.619285 101.5404 42.02030 123.2371       43.10726 
1 1 1 10  20 34 o 94.46108 16.20637 278.8318       86.55064 282.6159       88.70673 203.8159       394.9616 95.00716 16.51966 95.46306 40.52969 -0.4559021     43.76705 
1 1 1 10  20 35 o 160.1355 11.16266 771.3441       104.1785 763.1372       107.3092 905.8721       434.4630 159.1268 11.57776 147.2854 45.61803 11.84140       47.06431 
1 1 1 10  20 36 o 51.20325 20.05552 56.42694       87.58386 59.46278       89.64867 -7.209183      410.4457 52.02137 20.31548 83.36439 38.00065 -31.34302      43.09024 
1 1 1 10  20 37 o 41.13752 18.41166 -27.42320      91.31703 -9.485667      93.26721 -442.9481      448.8965 43.49907 19.07753 70.52942 34.27940 -27.03035      39.23047 
1 1 1 10  20 38 o 51.32355 20.50613 53.82183       93.25688 49.04602       95.51328 151.3338       431.5882 51.02434 20.62485 88.94073 39.89986 -37.91639      44.91529 
1 1 1 10  20 39 o 83.99745 20.29384 235.3835       98.84489 225.5887       101.4189 421.0333       441.5399 81.93599 21.00801 101.9743 43.05280 -20.03832      47.90491 
1 1 1 10  20 40 o 102.3164 18.81536 343.1353       108.7445 311.9166       112.9286 741.1703       403.2339 96.48107 20.58544 123.4214 44.08133 -26.94031      48.65105 
1 1 1 10  20 41 o 129.1124 15.41741 527.1671       114.4383 493.7608       118.4808 991.8048       441.8669 124.1514 16.69495 138.2054 46.30138 -14.05406      49.21930 
1 1 1 10  20 42 o 61.12351 22.68438 112.9505       108.2425 103.3718       111.6498 262.7381       441.5113 59.99825 22.87072 89.34563 40.19603 -29.34739      46.24706 
1 1 1 10  20 43 o 35.45099 17.21234 -161.6826      112.3950 -140.7021      116.3016 -458.3366      437.3235 37.45610 18.01840 64.76579 31.95517 -27.30969      36.68509 
1 1 1 10  20 44 f 40.89138 19.28945 -98.24090      120.5161 -137.0886      126.2705 299.0774       403.8208 39.65979 18.99864 88.37274 39.18579 -48.71295      43.54853 
1 1 1 10  21 0  o 459.1878 8.405383 6194.350       226.3593 7389.683       480.7384 5853.844       256.5824 499.9917 16.41666 446.2415 9.804067 53.75012       19.12136 
1 1 1 10  21 1  o 267.1768 7.788944 2098.317       121.9169 0.000000       0.000000 2098.317       121.9169 ?        ?        267.1768 7.788944 0.000000       7.788944 
1 1 1 10  21 2  o 493.3746 8.772692 7152.454       253.8401 7018.072       447.1853 7216.338       308.3288 487.3918 15.66474 495.3404 10.61353 -7.948578      18.92171 
1 1 1 10  21 3  o 78.38790 13.77791 186.3652       61.02995 459.1175       257.7478 170.1650       62.81627 121.5558 34.53720 74.65758 14.86918 46.89826       37.60201 
1 1 1 10  21 4  o 247.6884 6.874393 1802.727       99.76320 1948.054       281.7868 1781.901       106.6722 255.8096 18.91633 246.2123 7.395777 9.597290       20.31071 
1 1 1 10  21 5  o 428.3824 8.032232 5391.110       201.7988 5824.095       400.9539 5244.224       233.5326 443.9020 15.42472 422.3606 9.427872 21.54138       18.07780 
1 1 1 10  21 6  o 189.7840 7.410428 1059.493       82.32238 1143.475       245.0789 1048.813       87.40060 194.9509 21.80859 188.7821 7.911646 6.168732       23.19932 
1 1 1 10  21 7  o 410.7869 7.838545 4957.584       188.8437 4785.448       346.1923 5030.502       225.3186 402.3805 14.69467 413.6399 9.288039 -11.25937      17.38393 
1 1 1 10  21 8  o 262.2350 7.313234 2021.532       112.3638 1576.279       232.2220 2157.643       128.3947 230.1125 17.33476 270.8523 8.091919 -40.73976      19.13042 
1 1 1 10  21 9  o 366.1290 8.805853 3941.107       189.0845 0.000000       0.000000 3941.107       189.0845 ?        ?        366.1290 8.805853 0.000000       8.805853 
1 1 1 10  21 10 o 408.1449 13.98024 4923.997       334.1474 4923.997       334.1474 0.000000       0.000000 408.1449 13.98024 ?        ?        0.000000       13.98024 
1 1 1 10  21 11 o 476.2360 14.41371 6707.284       402.1134 6707.284       402.1134 0.000000       0.000000 476.2360 14.41371 ?        ?        0.000000       14.41371 
1 1 1 10  21 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  21 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  21 14 o 307.0964 11.14425 2783.697       200.3804 2749.605       250.5812 2844.162       333.7173 304.6173 14.06426 308.6578 18.52052 -4.040497      23.25539 
1 1 1 10  21 15 o 274.8023 11.79076 2232.240       189.5838 1917.400       227.4581 2948.660       343.1155 253.9239 15.34543 314.1190 18.70974 -60.19507      24.19786 
1 1 1 10  21 16 o 171.9732 16.93326 886.8521       168.5728 823.6276       195.8358 1067.693       331.2063 164.7510 20.72570 184.2912 31.79212 -19.54021      37.95120 
1 1 1 10  21 17 o 255.6996 13.08256 1937.827       195.5363 1810.788       234.2668 2229.615       355.0392 246.4235 16.30145 271.6251 22.48859 -25.20166      27.77542 
1 1 1 10  21 18 o 84.52921 27.94635 209.3833       161.0852 196.7535       182.6540 253.5864       341.7101 84.53534 29.71834 103.7445 39.89444 -19.20914      49.74683 
1 1 1 10  21 19 o 279.7126 12.37024 2315.487       202.4256 2211.466       238.1920 2585.955       384.0818 272.7674 14.94676 292.6152 22.55478 -19.84778      27.05779 
1 1 1 10  21 20 o 157.9009 20.78980 758.0330       187.8514 689.6462       215.8622 971.4371       381.3221 149.1442 25.60021 173.0151 38.56533 -23.87093      46.28883 
1 1 1 10  21 21 o 152.1124 23.21751 710.2580       200.5716 621.0723       236.7646 936.9285       377.4560 140.2208 29.71528 169.8276 38.75506 -29.60681      48.83598 
1 1 1 10  21 22 o 146.4686 25.08715 664.5746       207.7522 621.0603       235.1922 819.0967       443.2023 140.2161 29.53478 157.1557 45.49179 -16.93954      54.23842 
1 1 1 10  21 23 o 56.74604 25.95006 -119.4687      193.4017 -278.2102      217.9517 468.4876       419.4569 52.69775 25.16720 125.8487 44.95810 -73.15099      51.52299 
1 1 1 10  21 24 o 243.6798 15.14340 1769.549       215.3485 1743.906       247.0615 1850.642       439.3543 241.2319 17.58379 243.0069 31.57383 -1.775009      36.13996 
1 1 1 10  21 25 o 186.9120 18.64680 1055.030       201.6806 919.6221       229.4028 1515.909       423.2228 172.9901 23.19538 217.9055 34.24532 -44.91542      41.36143 
1 1 1 10  21 26 o 351.6747 10.31738 3655.084       212.5647 3655.084       212.5647 0.000000       0.000000 351.6747 10.31738 ?        ?        0.000000       10.31738 
1 1 1 10  21 27 o 44.82944 18.69844 14.57625       81.74004 6.785655       83.86192 162.7103       365.6846 44.29451 18.73489 97.10455 39.93641 -52.81004      44.11250 
1 1 1 10  21 28 o 203.7550 10.15188 1230.020       120.9304 1163.499       126.9855 1878.055       396.3466 197.9812 10.97953 244.4185 28.16405 -46.43729      30.22853 
1 1 1 10  21 29 o 158.6325 11.86894 750.4676       109.6213 718.7054       113.7171 1167.715       412.1617 155.0516 12.61433 185.6148 39.09872 -30.56328      41.08323 
1 1 1 10  21 30 o 240.1250 10.08627 1709.574       141.7263 1644.419       148.9874 2329.560       459.5864 235.3001 10.82536 270.0266 29.50021 -34.72644      31.42372 
1 1 1 10  21 31 o 45.45064 19.98035 -19.85358      102.8512 20.01914       106.7093 -541.5441      385.9855 50.75626 21.28104 65.60169 31.86187 -14.84543      38.31529 
1 1 1 10  21 32 o 114.7849 16.23097 406.1466       106.2197 408.9372       110.2153 369.7386       398.0968 114.9769 16.84432 109.0136 42.74041 5.963280       45.93990 
1 1 1 10  21 33 o 84.01246 19.49495 226.4857       94.19553 206.9845       96.96584 553.2187       396.9025 80.06957 20.54800 121.0196 43.67122 -40.95000      48.26382 
1 1 1 10  21 34 o 150.0409 12.38379 681.0875       108.0023 693.1821       111.5375 499.3164       432.4026 151.2605 12.69006 114.9396 44.69356 36.32092       46.46022 
1 1 1 10  21 35 o 177.0286 10.76675 941.4910       111.2551 983.0075       115.6041 420.6378       409.4690 180.8285 10.95208 107.4918 42.96183 73.33670       44.33584 
1 1 1 10  21 36 o 78.56535 20.00461 202.3459       92.40533 186.0385       94.35508 584.7449       456.9107 75.24079 20.72440 117.0862 45.82327 -41.84540      50.29188 
1 1 1 10  21 37 o 181.3780 11.04211 993.9807       116.9028 981.0652       120.8037 1184.331       463.7702 179.9656 11.50591 161.3648 46.48259 18.60078       47.88546 
1 1 1 10  21 38 o 73.23579 21.89359 179.3579       101.2685 187.1905       104.6254 63.14142       403.0130 74.65852 22.23786 82.78512 37.70506 -8.126595      43.77435 
1 1 1 10  21 39 o 81.54129 21.79319 226.0822       106.2158 215.0730       109.3915 407.4795       444.0404 79.34261 22.48537 100.1403 42.75970 -20.79768      48.31132 
1 1 1 10  21 40 o 42.14688 19.47578 -64.51740      112.9427 -34.32494      116.8587 -492.4877      439.9655 45.42472 20.53560 65.67249 32.33509 -20.24777      38.30494 
1 1 1 10  21 41 f 103.8558 19.23314 358.0106       112.8339 363.9474       116.9742 278.5706       427.8897 104.3593 19.83701 90.05149 40.10937 14.30777       44.74672 
1 1 1 10  21 42 o 72.55078 23.70186 183.1444       116.0055 222.4935       120.4549 -320.1563      430.7951 79.14184 23.92718 67.92892 33.14145 11.21292       40.87622 
1 1 1 10  21 43 o 97.93855 24.29908 345.0354       138.8995 386.6984       148.4057 50.72826       394.4355 103.4749 24.78199 76.96390 35.84886 26.51105       43.58082 
1 1 1 10  21 44 o 52.78511 22.76212 31.43730       128.1607 6.424657       134.4670 279.4934       423.4586 51.36485 22.70201 86.89172 39.20447 -35.52687      45.30311 
1 1 1 10  22 0  o 155.1600 8.245709 709.4078       74.76462 1432.151       268.9912 648.8992       77.83139 218.5073 21.25888 148.3043 8.990738 70.20294       23.08189 
1 1 1 10  22 1  o 203.2080 10.74577 1218.526       127.6093 1507.926       261.0529 1127.662       146.2769 224.5313 20.03469 195.1913 12.84952 29.34003       23.80124 
1 1 1 10  22 2  o 297.0159 7.248114 2591.116       126.2569 2325.432       291.7029 2652.364       140.0556 279.6694 17.87827 300.3508 7.958002 -20.68140      19.56942 
1 1 1 10  22 3  o 129.7856 9.126262 497.6629       69.02277 0.000000       0.000000 497.6629       69.02277 ?        ?        129.7856 9.126262 0.000000       9.126262 
1 1 1 10  22 4  o 129.6983 8.901472 496.8417       67.29846 396.6750       230.2642 506.1970       70.37107 113.0727 32.80782 130.8848 9.226705 -17.81201      34.08056 
1 1 1 10  22 5  o 137.7610 8.656830 560.0727       69.58802 506.2701       233.7857 565.3030       72.89201 126.8913 31.54900 138.3665 9.031891 -11.47519      32.81637 
1 1 1 10  22 6  o 304.3713 7.157305 2721.357       127.7626 2386.973       262.4848 2825.175       146.2576 283.6671 15.84065 309.9472 8.052823 -26.28012      17.77004 
1 1 1 10  22 7  o 257.6472 7.102460 1951.499       107.2186 1698.419       223.6626 2027.010       122.1713 239.0626 16.04551 262.5060 7.944734 -23.44345      17.90467 
1 1 1 10  22 8  o 359.3892 7.520523 3795.257       158.5125 3325.036       265.5789 4055.462       197.5608 335.3548 13.53104 371.3318 9.071688 -35.97705      16.29063 
1 1 1 10  22 9  o 609.6237 10.06108 10939.37       359.7137 10080.82       534.2271 11651.47       486.5352 583.4509 15.62652 628.2938 13.20386 -44.84290      20.45801 
1 1 1 10  22 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  22 11 o 244.5589 15.94962 1779.191       227.5141 1779.191       227.5141 0.000000       0.000000 244.5589 15.94962 ?        ?        0.000000       15.94962 
1 1 1 10  22 12 o 161.9410 17.35263 787.4025       162.2391 772.5048       198.4951 817.3848       281.5931 159.3168 21.81650 161.2887 30.89368 -1.971939      37.82035 
1 1 1 10  22 13 o 274.2276 11.98324 2223.481       192.2589 1999.547       238.3791 2640.244       325.2016 259.2322 15.75374 297.1708 18.75499 -37.93863      24.49347 
1 1 1 10  22 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  22 15 o 234.2865 13.42905 1628.479       183.7470 1337.763       220.3366 2292.344       332.9600 211.2607 17.95340 276.0822 20.71484 -64.82149      27.41221 
1 1 1 10  22 16 o 392.4792 10.86146 4546.110       249.7684 4274.910       303.5015 5115.205       439.6517 379.8777 13.64497 414.0083 18.15123 -34.13062      22.70798 
1 1 1 10  22 17 o 204.2861 15.75627 1245.531       187.3165 1212.461       222.0191 1327.214       348.9359 200.7210 19.08978 206.5749 29.65043 -5.853851      35.26426 
1 1 1 10  22 18 o 176.2600 18.53582 935.6788       188.7448 861.2443       223.1339 1122.891       353.8712 167.7322 23.31213 188.3841 33.24442 -20.65186      40.60353 
1 1 1 10  22 19 o 40.92091 20.19890 -379.0651      175.3858 -474.5827      197.9745 -30.68432      378.0895 41.93584 20.83324 88.19249 38.55152 -46.25665      43.82058 
1 1 1 10  22 20 o 393.8303 12.24804 4584.783       282.5518 4682.184       361.3949 4431.623       453.1830 397.0314 15.55061 384.5731 20.16341 12.45834       25.46340 
1 1 1 10  22 21 o 123.1414 30.45942 482.1380       218.7449 474.0838       253.6313 505.5239       432.1840 121.8693 34.13411 129.6346 45.70174 -7.765213      57.04197 
1 1 1 10  22 22 o 268.0501 14.61288 2135.932       228.8531 2245.400       268.5715 1845.744       437.2777 274.2693 16.77703 243.1665 31.39405 31.10280       35.59572 
1 1 1 10  22 23 o 146.5496 24.09460 665.1383       199.8974 616.5275       225.6331 842.5086       430.9993 139.6217 28.51988 158.3918 44.54398 -18.77003      52.89187 
1 1 1 10  22 24 o 162.4272 21.76162 808.0851       202.0896 799.9371       228.5880 837.2437       432.4250 160.5005 25.10652 157.2820 44.75032 3.218521       51.31207 
1 1 1 10  22 25 o 96.54160 31.32314 286.7215       202.7852 332.5960       229.8165 125.4011       430.9628 103.2749 33.33228 100.8871 42.56075 2.387817       54.05977 
1 1 1 10  22 26 o 484.3466 12.25450 6957.391       347.8190 7093.120       441.3549 6734.941       565.0225 487.4367 15.45855 471.8141 20.46815 15.62253       25.64980 
1 1 1 10  22 27 o 109.8021 30.10762 390.6617       199.6499 392.0743       228.9509 386.1782       407.8909 109.9639 32.93013 115.7369 43.80832 -5.773003      54.80476 
1 1 1 10  22 28 o 109.8503 16.38229 368.9462       102.3202 375.8152       105.8813 271.9508       397.8741 110.7685 16.82730 106.2624 42.38968 4.506081       45.60749 
1 1 1 10  22 29 o 425.3909 9.560882 5350.497       238.5265 5353.803       271.8961 5339.454       496.9344 424.8533 10.92129 418.4985 20.30733 6.354767       23.05780 
1 1 1 10  22 30 o 38.00700 18.04018 -125.7622      108.5426 -85.29122      112.2684 -705.3364      424.8544 41.81750 19.35661 65.69177 32.23039 -23.87428      37.59623 
1 1 1 10  22 31 o 56.23691 22.00494 65.49134       105.3493 75.41702       108.9603 -76.85970      412.6374 58.22036 22.49099 84.44315 38.33969 -26.22279      44.44971 
1 1 1 10  22 32 o 155.6231 13.40386 733.3664       121.1452 740.9180       127.6160 664.5157       385.3359 156.1741 14.08421 131.4525 43.21246 24.72162       45.44977 
1 1 1 10  22 33 o 111.8708 17.20872 392.0636       109.2932 397.0415       113.0183 320.2641       429.2279 112.3780 17.73572 103.3690 42.96006 9.008995       46.47712 
1 1 1 10  22 34 o 54.02608 21.30004 61.83672       99.35144 106.9106       102.5634 -624.1773      400.1255 61.38277 22.19322 62.41917 30.75316 -1.036404      37.92487 
1 1 1 10  22 35 o 138.3012 14.11609 587.5897       112.8924 587.7806       116.5225 584.6680       455.8321 138.1055 14.60740 117.7383 45.85830 20.36724       48.12858 
1 1 1 10  22 36 o 52.84954 21.04048 58.23312       97.83244 75.91077       100.2631 -293.1628      447.0202 55.78708 21.56834 74.12046 35.56998 -18.33338      41.59828 
1 1 1 10  22 37 o 38.58809 17.79500 -58.24332      93.59842 -59.02142      96.10940 -43.93315      412.1637 39.12854 18.03988 79.06564 36.76628 -39.93709      40.95359 
1 1 1 10  22 38 o 40.31544 18.48247 -51.62690      98.92801 -32.74467      101.2966 -441.2870      460.1624 42.55962 19.19103 69.44105 33.95944 -26.88143      39.00691 
1 1 1 10  22 39 o 43.40877 19.71426 -40.23254      109.1937 -66.37413      112.8531 343.3713       432.3035 42.02756 19.43736 95.18516 41.42175 -53.15760      45.75557 
1 1 1 10  22 40 o 60.04665 23.47871 97.03554       119.8618 117.6129       124.7359 -150.9351      433.0093 63.27769 24.16100 73.74422 35.28765 -10.46653      42.76649 
1 1 1 10  22 41 o 44.90511 20.16930 -23.69873      110.6515 -51.91465      115.0717 322.5474       403.1011 43.36557 19.90036 91.24150 39.84691 -47.87593      44.53988 
1 1 1 10  22 42 o 88.59737 21.99107 274.3161       113.7298 289.4330       120.7904 156.2317       337.5962 90.56601 22.76894 79.23912 35.43739 11.32689       42.12164 
1 1 1 10  22 43 o 38.06248 18.12566 -112.0110      111.3794 -3.746306      117.9055 -1009.584      339.4888 47.83141 21.19337 45.96067 23.37188 1.870739       31.55002 
1 1 1 10  23 0  o 243.8196 7.998659 1749.054       114.2216 0.000000       0.000000 1749.054       114.2216 ?        ?        243.8196 7.998659 0.000000       7.998659 
1 1 1 10  23 1  o 307.5703 8.032587 2782.252       144.7700 0.000000       0.000000 2782.252       144.7700 ?        ?        307.5703 8.032587 0.000000       8.032587 
1 1 1 10  23 2  o 259.9392 7.723719 1987.333       117.6161 0.000000       0.000000 1987.333       117.6161 ?        ?        259.9392 7.723719 0.000000       7.723719 
1 1 1 10  23 3  o 309.1984 7.247921 2808.797       131.4320 3108.261       314.3229 2745.344       144.6882 323.5447 16.62069 305.5092 8.082395 18.03552       18.48168 
1 1 1 10  23 4  o 221.4107 7.252426 1441.846       94.04724 1273.440       261.6572 1466.830       100.7823 205.4479 22.06122 223.2798 7.707898 -17.83191      23.36898 
1 1 1 10  23 5  o 150.1436 8.364676 664.8179       73.36456 627.7474       246.3843 668.4244       76.85056 141.3152 30.61522 150.5121 8.743772 -9.196945      31.83937 
1 1 1 10  23 6  o 48.91987 17.77924 58.40983       65.93552 0.000000       0.000000 58.40983       65.93552 ?        ?        48.91987 17.77924 0.000000       17.77924 
1 1 1 10  23 7  o 287.1128 7.205660 2423.723       121.2365 2468.119       257.4405 2411.072       137.4298 288.4034 15.27487 286.2502 8.194676 2.153229       17.33419 
1 1 1 10  23 8  o 126.1491 10.90514 472.3326       79.88850 618.3167       224.3152 451.1265       85.49426 140.6617 28.17446 123.1041 11.99359 17.55759       30.62102 
1 1 1 10  23 9  o 136.2031 10.98039 550.2240       86.96843 0.000000       0.000000 550.2240       86.96843 ?        ?        136.2031 10.98039 0.000000       10.98039 
1 1 1 10  23 10 o 273.3290 11.81307 2208.077       188.9175 2409.639       245.2153 1913.744       296.3213 284.9491 14.72330 252.4766 20.17989 32.47255       24.98006 
1 1 1 10  23 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  23 12 o 297.7621 11.42854 2619.441       199.2065 2523.530       246.9305 2798.203       337.1133 291.5907 14.48479 305.8345 18.88699 -14.24380      23.80184 
1 1 1 10  23 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  23 14 o 88.22587 28.38410 233.0486       166.7368 264.7043       196.7394 152.3475       314.1272 94.18792 30.87238 93.17513 37.49519 1.012787       48.56947 
1 1 1 10  23 15 o 354.3006 11.41353 3708.053       236.8511 3470.985       288.0723 4202.681       416.1060 342.0344 14.39305 374.8497 18.98949 -32.81528      23.82773 
1 1 1 10  23 16 o 238.9086 14.05894 1695.396       196.1150 1585.240       228.2328 2006.255       383.4030 230.2976 17.01834 256.2797 25.86227 -25.98212      30.95934 
1 1 1 10  23 17 o 155.5520 22.33725 740.1080       197.9392 711.7131       236.2342 807.0190       362.6370 150.8948 27.71529 157.2038 39.41172 -6.309052      48.18113 
1 1 1 10  23 18 o 46.15852 22.54799 -366.3898      201.1988 -374.6012      235.4063 -344.1333      387.5592 51.76386 25.08022 74.79047 35.06376 -23.02662      43.11015 
1 1 1 10  23 19 o 274.6032 14.10407 2237.919       226.3827 2080.613       268.8356 2621.386       419.7377 263.9021 17.46804 293.8433 24.58136 -29.94113      30.15586 
1 1 1 10  23 20 o 189.7692 19.03432 1084.937       208.9856 1156.063       239.8280 860.5252       426.0000 195.3193 21.28022 161.0113 43.91030 34.30801       48.79510 
1 1 1 10  23 21 o 255.4908 14.64570 1941.516       218.5307 1958.555       252.2696 1890.288       437.4146 256.0202 16.89565 246.2147 30.97605 9.805511       35.28426 
1 1 1 10  23 22 o 84.64244 30.52902 191.8488       193.9339 61.15142       224.2344 579.7963       386.3272 74.95994 31.09313 133.8549 43.21803 -58.89497      53.24078 
1 1 1 10  23 23 f 237.5571 15.15580 1684.178       210.0519 1571.934       246.4097 1982.590       401.7751 228.4761 18.54877 253.0481 27.51506 -24.57205      33.18336 
1 1 1 10  23 24 o 258.5623 14.43547 1993.587       218.0314 1975.520       255.5069 2041.984       418.1864 256.5359 17.07988 255.8100 28.34949 0.7258911      33.09706 
1 1 1 10  23 25 o 258.8744 14.46599 2000.718       218.7544 1927.465       256.5775 2195.696       418.5988 253.0765 17.39262 265.4431 27.27681 -12.36656      32.35008 
1 1 1 10  23 26 o 66.84863 28.39635 24.34575       194.0574 76.30615       226.8590 -117.3777      374.6629 75.80946 31.34429 81.45908 36.80344 -5.649620      48.34209 
1 1 1 10  23 27 o 109.2878 29.56122 388.1167       194.0092 442.7193       227.5226 242.6346       371.3836 116.0822 32.26215 102.3396 40.91090 13.74260       52.10133 
1 1 1 10  23 28 o 111.6896 30.28271 409.7396       203.3072 299.1273       231.2769 785.8785       426.4859 98.07139 33.49440 148.1563 45.07080 -50.08492      56.15383 
1 1 1 10  23 29 o 137.0375 26.72606 606.9659       207.0777 640.1093       236.3544 497.4909       429.5591 139.3823 29.81570 122.2122 45.22036 17.17012       54.16509 
1 1 1 10  23 30 o 130.6030 15.58352 521.2606       117.0106 551.2516       123.3001 249.5827       371.1035 134.2196 15.97702 99.66674 40.51987 34.55288       43.55600 
1 1 1 10  23 31 o 85.30209 23.42232 237.3929       120.7343 203.2885       125.8478 631.6611       427.8946 79.46983 24.54123 128.0780 45.44452 -48.60818      51.64762 
1 1 1 10  23 32 f 55.05494 22.52444 47.65122       115.5540 27.39157       120.8676 262.9903       394.0537 53.60738 22.57310 98.48277 41.06443 -44.87539      46.85971 
1 1 1 10  23 33 o 103.8405 20.84602 350.0421       122.5367 363.9276       127.5746 184.5779       440.3889 105.7157 21.31339 95.04486 41.57539 10.67079       46.72016 
1 1 1 10  23 34 o 67.47460 23.88185 137.6193       118.1079 134.3775       123.3716 173.1970       408.7056 67.39536 24.34420 91.69324 40.08190 -24.29788      46.89562 
1 1 1 10  23 35 o 92.15688 22.74111 285.4650       122.1477 340.7448       127.1887 -370.7331      438.2107 101.1929 22.05548 71.39364 34.50103 29.79923       40.94833 
1 1 1 10  23 36 o 48.71181 21.24990 0.8604942      114.3679 52.37445       119.1075 -608.0490      409.4992 55.20346 22.75700 62.02080 30.66017 -6.817345      38.18282 
1 1 1 10  23 37 o 90.45924 23.51050 281.8931       125.8570 316.2356       131.1069 -121.3403      449.2498 95.88774 23.49990 78.02449 36.93674 17.86325       43.77863 
1 1 1 10  23 38 o 77.12957 24.47819 205.7125       124.3314 165.7298       130.5884 593.2065       406.5379 70.96029 25.11230 111.4557 43.33699 -40.49545      50.08715 
1 1 1 10  23 39 o 154.5512 14.11230 744.6792       126.5049 761.5375       132.1866 561.1235       436.1787 155.9681 14.62159 106.5420 43.69499 49.42615       46.07649 
1 1 1 10  23 40 o 74.40322 25.25807 193.1364       131.4900 175.3665       139.0557 343.2364       404.1436 71.93995 25.86350 92.59848 40.17509 -20.65853      47.78032 
1 1 1 10  23 41 o 54.48029 22.91842 49.88929       124.4025 60.59406       131.3691 -43.08517      387.1562 56.57495 23.65899 73.29754 34.57532 -16.72259      41.89511 
1 1 1 10  23 42 o 44.13165 20.65304 -86.74898      133.4476 -22.36334      141.5255 -602.9568      400.7306 50.19978 22.65567 58.57539 29.18786 -8.375610      36.94876 
1 1 1 10  24 0  o 146.7591 9.619840 636.5999       82.34222 0.000000       0.000000 636.5999       82.34222 ?        ?        146.7591 9.619840 0.000000       9.619840 
1 1 1 10  24 1  o 293.9984 8.125485 2543.216       139.9678 0.000000       0.000000 2543.216       139.9678 ?        ?        293.9984 8.125485 0.000000       8.125485 
1 1 1 10  24 2  o 426.2325 8.210548 5341.804       205.2434 5476.399       396.2843 5292.465       239.9303 429.7371 15.75030 424.0415 9.647752 5.695557       18.47028 
1 1 1 10  24 3  o 176.9489 8.082787 922.4905       83.65871 623.0866       243.1688 962.6857       89.09753 140.6547 30.36875 180.7343 8.428932 -40.07953      31.51679 
1 1 1 10  24 4  o 204.7121 7.465746 1233.312       89.48276 1113.788       252.3161 1250.507       95.70339 191.5670 22.91199 206.0886 7.932946 -14.52168      24.24646 
1 1 1 10  24 5  o 221.0851 7.324740 1438.086       94.84234 1375.978       242.2273 1449.331       103.0716 214.0799 19.50690 221.8852 7.933404 -7.805298      21.05845 
1 1 1 10  24 6  o 49.88432 17.81408 63.38486       65.85034 463.5447       210.8860 20.15252       69.31629 121.1167 29.87697 42.75598 17.46337 78.36068       34.60640 
1 1 1 10  24 7  f 506.0741 8.880428 7536.221       263.5716 6989.494       423.8017 7881.072       336.5835 485.6286 14.89779 517.0206 11.10029 -31.39200      18.57850 
1 1 1 10  24 8  o 188.7122 8.487724 1049.791       93.69766 1625.589       254.5031 959.5102       100.7759 232.8722 18.79434 180.2662 9.566421 52.60594       21.08895 
1 1 1 10  24 9  o 264.2953 8.540350 2057.353       132.2041 0.000000       0.000000 2057.353       132.2041 ?        ?        264.2953 8.540350 0.000000       8.540350 
1 1 1 10  24 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  24 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  24 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  24 13 o 129.7453 23.54468 521.4081       172.5614 524.2443       206.3896 514.8200       314.5580 128.9283 28.09142 126.9884 38.72257 1.939865       47.83895 
1 1 1 10  24 14 o 175.6213 17.63327 926.9014       179.1638 712.8082       209.4533 1510.735       345.8839 152.0075 24.31381 221.5471 27.18979 -69.53957      36.47528 
1 1 1 10  24 15 o 197.2036 17.36533 1165.548       198.7898 968.4084       235.6983 1651.349       369.9970 178.0697 23.11407 231.5455 27.80194 -53.47577      36.15533 
1 1 1 10  24 16 o 295.6724 13.18671 2589.923       228.0887 2745.686       278.5306 2272.822       397.4109 303.8182 15.68488 273.2702 25.07619 30.54800       29.57754 
1 1 1 10  24 17 f 251.1577 16.34331 1880.932       239.4263 1793.255       284.0822 2095.927       444.8513 244.1970 20.01133 260.4763 29.64735 -16.27934      35.76897 
1 1 1 10  24 18 o 209.9226 18.00334 1321.725       219.5092 1292.199       255.8337 1404.120       427.3735 206.5947 21.42555 209.8762 36.01767 -3.281448      41.90855 
1 1 1 10  24 19 o 46.96633 22.84682 -341.4408      200.5754 -245.9758      225.6000 -701.5583      438.1665 55.49725 26.24331 69.40919 33.76507 -13.91194      42.76437 
1 1 1 10  24 20 o 376.5337 12.38343 4195.834       273.0890 4003.537       324.1372 4666.229       506.9597 366.9784 15.09266 393.2674 22.06891 -26.28897      26.73621 
1 1 1 10  24 21 o 219.3985 17.45957 1444.698       222.8041 1340.671       266.9934 1683.292       404.3492 209.8757 22.01887 231.8508 30.47408 -21.97510      37.59654 
1 1 1 10  24 22 o 244.5488 16.25616 1789.656       231.8255 1750.740       274.0981 1887.449       434.5057 240.7797 19.57928 245.0093 30.92634 -4.229538      36.60309 
1 1 1 10  24 23 f 130.6947 27.87429 545.0215       207.1318 440.6893       235.0860 907.1207       437.9570 116.5577 32.93899 162.2643 44.63167 -45.70660      55.47038 
1 1 1 10  24 24 o 79.28789 30.48452 145.0701       199.4984 161.1314       225.5562 87.35693       427.5656 83.65413 32.34788 97.77114 41.85867 -14.11701      52.90117 
1 1 1 10  24 25 o 164.2557 21.18300 830.6411       199.3140 819.1808       225.2210 872.0352       428.0373 161.8499 24.49207 157.8839 44.38695 3.966064       50.69579 
1 1 1 10  24 26 o 58.49704 26.42455 -81.44615      193.0451 -4.400184      217.5746 -366.5079      418.5070 67.88448 29.46497 75.83578 35.82570 -7.951302      46.38605 
1 1 1 10  24 27 o 223.7786 15.79580 1508.708       205.9734 1518.614       238.6923 1479.821       407.5992 223.4755 18.37417 211.9827 33.92935 11.49277       38.58511 
1 1 1 10  24 28 o 51.71156 24.50907 -209.7499      198.9167 -257.3800      230.2143 -69.42924      395.1416 54.68554 26.04655 84.41866 37.99900 -29.73312      46.06894 
1 1 1 10  24 29 o 313.6302 13.13049 2948.314       240.9837 2841.099       281.6163 3241.530       465.7184 306.4294 15.72285 320.0331 25.01145 -13.60367      29.54286 
1 1 1 10  24 30 o 46.99405 22.76482 -281.4966      193.7086 -373.4905      217.1667 76.64447       428.4901 47.38633 23.20650 91.84655 40.56271 -44.46022      46.73195 
1 1 1 10  24 31 o 86.70001 29.48932 245.9428       179.2443 247.4507       200.5503 239.9559       399.6167 87.63873 31.11019 97.44775 41.03978 -9.809021      51.49862 
1 1 1 10  24 32 o 81.67974 30.02538 206.7500       188.8520 226.6260       211.2773 127.7489       421.2162 85.10547 31.67180 91.18694 40.24654 -6.081474      51.21413 
1 1 1 10  24 33 o 105.4096 21.65113 364.5222       129.3654 399.1375       136.7185 68.44070       399.8516 110.2915 21.90908 85.94132 38.49098 24.35022       44.28954 
1 1 1 10  24 34 o 124.1676 18.28271 490.9677       129.1561 488.4990       135.2547 516.5067       435.0233 123.2912 19.34131 111.7326 44.40554 11.55862       48.43489 
1 1 1 10  24 35 o 130.7818 17.08041 541.7466       127.8799 475.2992       134.2746 1189.941       419.3798 121.0084 19.58939 167.0246 42.66473 -46.01626      46.94703 
1 1 1 10  24 36 o 91.15763 23.84568 286.7268       128.9188 256.6200       133.9866 662.2813       473.2226 85.82861 25.06174 116.5658 46.31812 -30.73719      52.66364 
1 1 1 10  24 37 f 40.94518 19.38733 -116.0425      123.8864 -45.45898      129.1579 -928.1613      438.1059 47.02009 21.38823 57.49478 28.91540 -10.47469      35.96605 
1 1 1 10  24 38 o 49.44014 21.99649 -12.25580      128.3257 19.04426       136.1553 -261.1648      383.9567 53.59037 23.28432 67.25819 32.45125 -13.66782      39.94049 
1 1 1 10  24 39 o 120.4012 20.59293 486.3041       140.1894 574.6828       150.0533 -120.3851      393.1469 131.4391 20.10365 71.83077 34.16317 59.60835       39.63937 
1 1 1 10  24 40 o 42.79673 20.40127 -136.3664      141.8541 -139.6247      149.7943 -108.0540      441.5637 44.04654 20.98794 74.51931 35.65207 -30.47277      41.37104 
1 1 1 10  24 41 o 77.01617 26.67375 214.9961       146.8353 301.7051       155.9188 -464.8032      436.5731 89.43905 27.26030 64.26305 31.74817 25.17599       41.84579 
1 1 1 10  24 42 o 43.98103 20.76469 -106.6859      140.2038 -105.6834      149.0070 -114.4258      414.0378 45.57640 21.48394 71.51886 34.29808 -25.94246      40.47121 
1 1 1 10  25 0  o 227.6351 8.258779 1526.123       110.0741 0.000000       0.000000 1526.123       110.0741 ?        ?        227.6351 8.258779 0.000000       8.258779 
1 1 1 10  25 1  o 208.5490 7.686082 1280.477       93.84692 1464.039       289.3739 1258.901       99.20909 219.8045 22.77746 206.7250 8.199176 13.07951       24.20824 
1 1 1 10  25 2  o 192.6479 8.019618 1093.336       90.41025 1236.567       254.0284 1072.562       96.74493 202.1072 21.77455 190.7310 8.671496 11.37625       23.43770 
1 1 1 10  25 3  o 177.3195 8.200038 926.7916       85.04433 908.4951       247.1737 929.2484       90.57435 171.8644 25.27699 177.4941 8.727796 -5.629745      26.74136 
1 1 1 10  25 4  o 362.8472 7.628953 3871.082       162.3451 4085.373       342.8300 3809.138       184.3218 370.8013 15.80097 359.7826 8.735466 11.01865       18.05489 
1 1 1 10  25 5  o 207.2895 7.527522 1264.989       91.36040 1299.003       239.0600 1259.171       98.86482 207.6773 19.86963 206.7392 8.170044 0.9380646      21.48375 
1 1 1 10  25 6  o 230.4677 7.489876 1563.300       101.1016 1554.380       253.3529 1564.989       110.2614 227.5086 19.16600 230.5121 8.168950 -3.003540      20.83428 
1 1 1 10  25 7  o 474.7767 8.576743 6633.097       238.8154 6217.967       396.7027 6869.055       299.0817 457.8751 14.79238 482.7123 10.56455 -24.83722      18.17757 
1 1 1 10  25 8  o 154.7158 9.670592 707.7990       87.30938 1036.198       231.2033 653.1787       94.29102 184.6991 21.76135 148.4287 10.90802 36.27042       24.34217 
1 1 1 10  25 9  o 146.2892 11.19480 635.0151       95.31632 1020.718       241.2189 563.6487       103.7605 182.8974 22.99519 137.4719 13.02503 45.42555       26.42783 
1 1 1 10  25 10 o 319.8531 10.70128 3020.182       200.4586 2890.575       274.8999 3167.360       292.9421 311.8787 15.07392 326.4242 15.34498 -14.54544      21.51027 
1 1 1 10  25 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  25 12 o 421.0598 11.23263 5234.675       277.1327 4972.035       348.7421 5684.744       456.5238 409.4023 14.54770 436.5428 17.86920 -27.14059      23.04222 
1 1 1 10  25 13 o 147.2903 22.75488 666.1730       190.2341 643.2836       221.3155 730.9302       372.2535 143.3670 27.31873 149.2933 41.18079 -5.926331      49.41832 
1 1 1 10  25 14 o 83.33744 31.07369 169.7976       203.5633 183.5542       239.4763 133.9699       386.4690 88.40019 33.54283 98.95506 40.91212 -10.55486      52.90485 
1 1 1 10  25 15 o 412.0201 12.53862 5020.170       302.6306 5211.294       383.9450 4706.635       491.7609 418.8199 15.65874 395.8205 21.26190 22.99936       26.40576 
1 1 1 10  25 16 o 312.5075 13.74941 2895.469       251.3800 2659.150       305.2261 3393.730       443.2016 298.4318 17.51620 335.3337 22.66906 -36.90192      28.64792 
1 1 1 10  25 17 o 273.2276 15.14331 2220.587       241.7095 2417.035       295.5585 1823.884       420.0035 284.3356 17.81350 242.3616 30.20225 41.97398       35.06418 
1 1 1 10  25 18 f 154.4175 24.20914 736.0421       212.0423 846.7236       242.4011 375.3341       437.5976 165.3174 25.84734 119.3679 45.33108 45.94950       52.18229 
1 1 1 10  25 19 o 190.9272 19.30541 1101.422       213.2041 1176.120       246.6594 880.7220       423.9807 196.5992 21.75632 162.0078 43.64827 34.59137       48.76996 
1 1 1 10  25 20 o 76.90858 30.32346 115.2600       201.3703 75.29510       236.4998 220.6140       383.9876 77.64667 32.04387 103.7212 41.55318 -26.07452      52.47358 
1 1 1 10  25 21 o 97.86365 31.85211 294.0983       209.6014 335.8427       244.1192 176.9987       408.8651 104.3104 34.39963 102.3740 42.17899 1.936386       54.42795 
1 1 1 10  25 22 o 238.0541 16.50437 1701.029       228.9959 1627.729       266.4635 1908.088       447.8513 231.6742 19.80109 244.8939 31.94266 -13.21971      37.58213 
1 1 1 10  25 23 o 92.11311 31.47084 253.7663       204.1794 190.9038       231.5188 473.7760       433.1232 87.14742 33.00072 123.8441 45.47996 -36.69672      56.19141 
1 1 1 10  25 24 o 73.96927 29.29317 108.2608       188.6740 125.1509       210.5633 39.46033       424.9748 78.26324 30.96093 94.42788 41.08095 -16.16463      51.44146 
1 1 1 10  25 25 o 251.6065 14.94343 1897.277       219.5140 2082.358       253.5305 1343.040       438.7291 263.0145 16.51958 199.3537 38.92223 63.66080       42.28281 
1 1 1 10  25 26 o 137.9801 26.61342 611.2068       207.5569 485.7362       234.7622 1060.394       444.1924 120.7915 32.45137 172.3952 43.84045 -51.60373      54.54426 
1 1 1 10  25 27 o 63.58250 27.78706 -11.75883      196.3214 36.37746       219.7078 -202.4460      437.2904 70.69032 30.12798 82.72878 38.26149 -12.03845      48.69945 
1 1 1 10  25 28 o 148.4990 23.41453 702.0901       197.1722 780.1034       228.6265 475.6385       389.5201 155.3334 26.01552 117.6025 43.13957 37.73085       50.37688 
1 1 1 10  25 29 o 72.79420 28.89810 119.8213       184.0402 192.4221       208.0294 -141.6287      394.7736 82.63731 31.28436 78.94736 36.45638 3.689941       48.03935 
1 1 1 10  25 30 o 86.90141 30.65913 243.2306       194.5288 261.4092       217.6140 170.9289       433.9904 89.92874 32.35162 95.45856 41.52206 -5.529816      52.63752 
1 1 1 10  25 31 o 179.0679 19.55817 1011.896       202.0624 971.1498       232.2004 1139.010       410.1236 172.7610 23.52830 170.8263 41.37878 1.934708       47.60026 
1 1 1 10  25 32 o 91.22348 30.19256 287.4135       188.0051 384.3536       208.2486 -139.7411      437.1422 103.5703 31.49185 79.91908 37.39427 23.65126       48.88832 
1 1 1 10  25 33 o 68.10500 28.46539 84.27300       190.0137 41.52272       210.8746 268.8394       438.1584 66.90751 29.02454 96.97687 41.95369 -30.06936      51.01505 
1 1 1 10  25 34 o 93.32652 31.15103 316.7572       200.0341 89.88827       222.2956 1282.310       458.5972 71.18823 30.32138 170.1191 45.20073 -98.93086      54.42879 
1 1 1 10  25 35 o 48.67962 21.29610 -0.7271676     115.5749 32.74311       120.4637 -388.1699      409.8550 53.05152 22.44719 67.22959 32.69368 -14.17807      39.65795 
1 1 1 10  25 36 o 81.23738 24.99114 230.1037       130.6549 242.5790       136.4307 92.05296       453.8433 83.10835 25.53226 85.41165 39.31438 -2.303307      46.87768 
1 1 1 10  25 37 o 80.43266 25.51177 228.7946       135.0695 278.1597       143.1124 -173.7341      408.6630 87.96738 25.95975 71.97441 34.39746 15.99297       43.09402 
1 1 1 10  25 38 f 51.81212 22.75975 7.267682       133.2265 -25.90181      141.8699 254.8659       387.6098 50.38298 22.71578 87.71488 38.66526 -37.33191      44.84427 
1 1 1 10  25 39 o 69.97733 25.80522 162.3001       139.6791 159.4696       147.4535 187.0386       435.9248 69.96764 26.37181 85.22308 38.96770 -15.25544      47.05267 
1 1 1 10  25 40 o 118.1252 24.42668 497.6692       163.6313 514.0877       174.7672 381.0121       465.8530 118.8700 25.81030 92.95344 41.59528 25.91652       48.95242 
1 1 1 10  25 41 o 57.49244 25.31434 27.25527       165.7054 -21.48455      180.3005 292.2675       420.4245 55.71180 25.31388 87.80698 39.38669 -32.09518      46.81990 
1 1 1 10  26 0  o 149.4824 9.738720 661.0026       84.91248 722.4838       278.5348 654.7033       89.15640 150.5479 32.50012 148.6901 10.28740 1.857712       34.08942 
1 1 1 10  26 1  o 170.6025 8.889031 859.0409       88.63185 728.5994       252.0819 877.4410       94.67692 152.1937 29.30512 172.3592 9.401705 -20.16550      30.77632 
1 1 1 10  26 2  o 105.2682 11.90001 331.2577       72.18083 604.8022       247.5803 305.8469       75.45899 137.8302 31.33950 100.8928 13.05866 36.93740       33.95133 
1 1 1 10  26 3  o 364.2109 7.692068 3901.026       164.3034 3527.619       312.0599 4044.242       193.2600 344.4953 15.48516 370.6570 8.890361 -26.16165      17.85578 
1 1 1 10  26 4  o 141.1908 9.478349 589.7513       78.03082 435.3600       247.3360 606.8165       82.23028 117.1019 34.00970 143.1780 9.852829 -26.07612      35.40816 
1 1 1 10  26 5  o 284.3907 7.431397 2379.748       123.8409 2642.756       297.6406 2324.684       136.1892 297.5809 17.12675 280.9641 8.273982 16.61682       19.02063 
1 1 1 10  26 6  o 303.9258 7.534219 2716.288       134.2939 3234.979       315.2031 2601.252       148.4407 329.5753 16.35855 297.1828 8.525660 32.39252       18.44692 
1 1 1 10  26 7  o 241.5198 7.774015 1717.397       109.9721 2422.850       278.2288 1586.779       119.7209 285.0056 16.71898 232.0084 8.814678 52.99716       18.90034 
1 1 1 10  26 8  o 329.3453 7.848265 3190.447       151.5918 3372.848       313.4016 3134.738       173.2013 336.6714 15.91755 326.1671 9.063202 10.50427       18.31693 
1 1 1 10  26 9  o 140.3253 13.77131 588.2678       111.8763 0.000000       0.000000 588.2678       111.8763 ?        ?        140.3253 13.77131 0.000000       13.77131 
1 1 1 10  26 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  26 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  26 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  26 13 o 95.82034 31.26075 275.2905       201.8299 407.8553       238.5796 -58.35725      378.4978 113.6741 33.51072 86.67032 38.20631 27.00378       50.82018 
1 1 1 10  26 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  26 15 o 236.5413 17.29122 1673.570       238.2170 1405.277       284.2500 2306.603       436.6257 215.0101 22.89358 274.1218 27.53146 -59.11176      35.80639 
1 1 1 10  26 16 o 262.1510 15.27224 2046.118       233.7869 1882.704       272.9828 2495.771       452.8242 250.4698 18.71896 285.0991 27.41990 -34.62926      33.20016 
1 1 1 10  26 17 o 74.46967 30.29081 80.38303       207.5071 78.41127       242.0788 85.84546       402.9242 78.80090 32.45976 97.00222 41.04879 -18.20132      52.33201 
1 1 1 10  26 18 o 228.4554 17.03453 1564.291       226.5921 1639.747       264.9195 1358.635       437.3582 233.1439 19.55490 204.3820 37.88213 28.76193       42.63156 
1 1 1 10  26 19 o 66.71079 28.92398 -11.40364      209.1912 92.93121       242.9258 -310.7606      411.4847 79.83240 32.65977 78.22609 36.49624 1.606308       48.97588 
1 1 1 10  26 20 o 105.1755 32.43443 350.8451       219.9098 340.8268       253.3263 381.4820       443.0020 105.0498 35.05568 118.2947 45.44097 -13.24496      57.39149 
1 1 1 10  26 21 o 198.3154 19.47363 1195.044       223.5750 1051.289       257.6364 1633.446       449.9156 184.0260 24.47786 224.1430 35.39980 -40.11699      43.03849 
1 1 1 10  26 22 o 192.9535 19.21475 1132.542       214.5522 1221.324       244.9501 839.9509       444.6768 199.6663 21.24387 154.7262 45.78545 44.94014       50.47385 
1 1 1 10  26 23 o 228.6572 16.15245 1572.545       215.2137 1644.696       259.6573 1414.202       384.6606 232.6885 19.19786 209.1313 32.41026 23.55721       37.66939 
1 1 1 10  26 24 o 97.85026 31.46487 303.3159       204.9133 284.5894       243.1266 349.2427       380.7475 97.28517 34.27959 110.6121 42.21759 -13.32690      54.38212 
1 1 1 10  26 25 o 205.8365 17.63723 1287.296       210.8634 1265.585       246.8139 1345.966       405.7318 202.5923 21.08079 200.4086 35.83563 2.183701       41.57634 
1 1 1 10  26 26 o 130.0550 27.81021 552.9335       205.6963 666.7090       231.7394 130.3675       446.6042 142.7042 28.68523 98.81538 42.55011 43.88885       51.31622 
1 1 1 10  26 27 o 55.63621 25.18527 -70.20531      176.4586 -77.88703      194.3775 -34.20960      420.7675 58.11672 26.35793 87.12089 39.21388 -29.00417      47.24901 
1 1 1 10  26 28 o 44.26344 21.65942 -324.7252      188.0172 -350.8456      208.5586 -211.3753      434.4583 46.77164 22.87087 79.79729 37.31842 -33.02565      43.76918 
1 1 1 10  26 29 o 111.8506 29.32396 431.6661       194.6745 423.9686       220.0462 459.3909       417.6095 109.6502 32.14489 112.6033 43.88350 -2.953125      54.39720 
1 1 1 10  26 30 o 199.6485 17.68946 1240.366       204.9831 1228.340       226.8844 1293.790       478.2024 197.2007 19.88906 177.1032 45.72618 20.09744       49.86440 
1 1 1 10  26 31 o 93.28878 31.66946 303.1391       206.7158 490.3784       233.6198 -372.2334      443.6933 115.8683 32.86747 72.83794 35.07829 43.03041       48.07033 
1 1 1 10  26 32 f 77.82606 30.51027 172.9776       202.8488 122.5493       233.3993 328.6698       410.1057 75.62029 31.57304 99.50385 41.71969 -23.88357      52.32007 
1 1 1 10  26 33 o 55.13852 25.48308 -90.43668      193.4721 -82.90767      214.7329 -122.9093      445.9523 58.58838 26.99484 78.93941 37.19720 -20.35102      45.96035 
1 1 1 10  26 34 o 103.4750 29.38092 392.3427       186.5918 407.3280       207.7982 329.9608       423.9723 104.1092 31.41625 96.88451 41.58460 7.224648       52.11775 
1 1 1 10  26 35 o 125.2905 26.48540 554.7741       188.5176 670.6297       206.3543 -29.81247      463.5318 138.1410 26.43335 81.42761 38.22985 56.71336       46.47842 
1 1 1 10  26 36 o 162.3366 21.08752 875.2347       196.0270 859.3398       221.8494 931.8385       418.6506 157.4541 24.84758 136.9166 45.04340 20.53748       51.44230 
1 1 1 10  26 37 f 92.44569 30.73030 330.3826       194.7067 390.6098       224.4973 147.5519       391.1464 98.44584 33.00332 82.63516 37.44298 15.81068       49.91188 
1 1 1 10  26 38 o 194.3739 16.74675 1208.008       189.0461 1169.389       208.9913 1381.858       443.4187 188.8985 19.12802 169.7413 44.13643 19.15726       48.10307 
1 1 1 10  26 39 o 42.28492 20.07526 -119.8877      134.5628 -103.4299      141.5262 -274.8944      434.3367 44.56134 20.98458 68.78072 33.49486 -24.21938      39.52541 
1 1 1 10  26 40 o 144.8435 20.71261 709.0641       170.9445 753.4814       186.8995 481.7265       422.8318 147.9523 22.22587 97.80467 41.74318 50.14761       47.29146 
1 1 1 10  27 0  o 318.0221 9.080547 2980.504       169.1901 0.000000       0.000000 2980.504       169.1901 ?        ?        318.0221 9.080547 0.000000       9.080547 
1 1 1 10  27 1  o 407.2181 8.212416 4879.217       196.1320 5038.899       379.3402 4820.955       229.1357 411.6766 15.74066 404.5168 9.658410 7.159760       18.46763 
1 1 1 10  27 2  o 253.4091 7.822132 1890.652       116.1121 1972.324       284.9499 1874.391       127.1468 256.3310 19.09180 252.2090 8.608578 4.121964       20.94289 
1 1 1 10  27 3  o 173.3340 8.935521 886.8860       90.52860 993.0626       253.1988 871.3236       96.93629 179.7789 24.66387 171.7056 9.665143 8.073364       26.49002 
1 1 1 10  27 4  o 368.1627 7.882619 3987.072       170.2005 3722.806       319.1049 4092.141       201.2105 353.8781 15.41246 372.7715 9.203591 -18.89340      17.95132 
1 1 1 10  27 5  o 179.8848 9.057600 955.1517       95.24854 702.8699       264.4504 992.7578       102.1011 148.7049 31.31398 183.3372 9.528446 -34.63231      32.73158 
1 1 1 10  27 6  o 90.15332 15.88251 248.1847       80.90862 -70.01134      254.2198 284.0477       85.34641 69.83398 31.02138 96.66111 15.58498 -26.82713      34.71625 
1 1 1 10  27 7  o 286.7993 8.149737 2421.876       136.9404 2440.675       322.4883 2417.741       151.2546 285.2290 19.39369 286.4236 9.015514 -1.194580      21.38679 
1 1 1 10  27 8  o 212.7224 9.302891 1335.099       115.7791 1894.758       285.2040 1224.671       126.6876 251.1335 19.51736 203.5195 10.65104 47.61401       22.23448 
1 1 1 10  27 9  f 60.92778 22.51952 88.87562       106.4788 53.52269       273.1845 95.20851       115.6231 80.99588 34.01082 63.23146 23.44905 17.76442       41.31095 
1 1 1 10  27 10 o 283.0635 19.24740 2402.409       317.6256 2402.409       317.6256 0.000000       0.000000 283.0635 19.24740 ?        ?        0.000000       19.24740 
1 1 1 10  27 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  27 12 o 278.2454 18.16778 2316.600       294.8483 2316.600       294.8483 0.000000       0.000000 278.2454 18.16778 ?        ?        0.000000       18.16778 
1 1 1 10  27 13 o 207.3176 19.56088 1295.268       235.0230 1285.063       281.4073 1318.800       427.3209 205.1758 23.82887 202.4664 37.36357 2.709488       44.31536 
1 1 1 10  27 14 o 181.7326 21.78349 1005.351       227.5516 662.5485       262.2068 2051.160       457.9818 143.9921 31.89092 256.5347 31.07310 -112.5426      44.52604 
1 1 1 10  27 15 o 87.94308 31.46471 210.9092       205.5367 51.94038       238.5662 668.7402       404.8606 76.17024 31.87013 142.4909 44.02013 -66.32069      54.34590 
1 1 1 10  27 16 f 134.2419 28.84727 572.6875       220.3452 464.4863       257.1876 871.2863       427.2459 120.1243 34.61868 160.7734 44.02713 -40.64906      56.00751 
1 1 1 10  27 17 o 151.1158 26.16325 714.7154       223.4809 623.4299       253.9694 1027.913       470.4244 139.0929 31.82453 173.4138 45.64184 -34.32091      55.64152 
1 1 1 10  27 18 f 431.3229 12.84160 5518.831       324.4804 5924.715       412.5158 4860.178       525.4939 445.6055 15.80987 399.9923 22.49151 45.61322       27.49218 
1 1 1 10  27 19 o 52.97800 24.88409 -188.2373      196.7720 -217.8913      216.1386 -44.65485      475.5991 54.83960 25.85791 95.59514 42.44959 -40.75554      49.70512 
1 1 1 10  27 20 o 205.1582 18.35972 1274.453       218.5724 1324.737       249.7995 1110.204       451.4663 208.3165 20.72087 179.3104 43.40212 29.00612       48.09469 
1 1 1 10  27 21 o 414.2438 12.36617 5096.690       300.0925 5053.146       375.7531 5173.378       498.6539 410.9189 15.62023 412.6953 20.66824 -1.776428      25.90691 
1 1 1 10  27 22 o 139.6940 26.71068 622.7455       210.8603 783.4935       253.8896 265.3477       378.5717 156.1948 28.77579 104.4469 41.45198 51.74792       50.46100 
1 1 1 10  27 23 o 76.54441 30.16989 124.2196       199.2768 77.08467       231.4924 259.0991       391.5960 76.01620 31.56710 104.3219 41.90470 -28.30566      52.46414 
1 1 1 10  27 24 o 176.8487 21.45305 970.0474       217.9613 1027.546       253.1979 805.5131       428.3102 180.6273 24.53528 148.9396 45.13790 31.68777       51.37519 
1 1 1 10  27 25 o 106.0095 29.84634 372.7682       193.3862 265.4934       223.5442 691.8360       385.5281 92.98807 32.86086 138.1321 43.00309 -45.14406      54.12117 
1 1 1 10  27 26 o 116.1234 27.82497 448.9101       187.0165 399.2368       215.6840 599.4014       375.4155 108.3208 31.84354 127.6617 42.67656 -19.34093      53.24753 
1 1 1 10  27 27 o 72.14340 28.63983 118.4228       180.7660 224.1746       203.3630 -279.6781      394.5704 85.64576 31.20955 73.31258 34.67932 12.33318       46.65502 
1 1 1 10  27 28 o 90.37694 30.40738 272.9911       190.5573 235.5898       209.0588 456.6823       463.3076 86.51755 31.62556 112.9463 45.50647 -26.42872      55.41674 
1 1 1 10  27 29 o 140.5061 26.29818 663.0664       208.7432 782.1518       234.7893 213.8931       455.9908 152.1481 27.31626 97.32425 42.44415 54.82390       50.47458 
1 1 1 10  27 30 o 66.59257 28.36027 56.37058       194.4264 109.1089       218.8548 -141.0970      423.4877 73.71999 30.66016 78.71052 36.82125 -4.990532      47.91503 
1 1 1 10  27 31 o 152.1777 23.46292 766.2838       202.6812 735.5293       224.2015 903.8082       474.1045 146.3547 27.11890 139.2390 47.94319 7.115677       55.08162 
1 1 1 10  27 32 o 75.40290 30.16745 156.6957       202.1079 243.1391       225.3188 -199.2173      457.1971 85.30592 32.49665 77.19454 36.75014 8.111374       49.05717 
1 1 1 10  27 33 o 69.04204 29.19460 90.63055       203.5554 101.1639       226.7162 46.83455       462.2930 72.03428 30.64949 85.21125 39.38509 -13.17697      49.90567 
1 1 1 10  27 34 o 80.60181 29.93093 221.8694       188.4967 313.6318       206.4498 -237.9592      462.1468 91.59959 31.63297 74.73877 35.94432 16.86082       47.88151 
1 1 1 10  27 35 o 204.4353 18.90881 1352.557       224.1417 1490.041       257.3661 920.8022       456.0825 212.4538 20.92692 132.0937 46.91268 80.36011       51.36863 
1 1 1 10  27 36 o 131.3894 26.68589 622.0054       198.6068 800.7070       225.2975 -0.9973947     420.6656 149.5244 26.67010 77.99487 36.55473 71.52953       45.24978 
1 1 1 10  27 37 o 148.5602 26.75439 796.4711       224.5313 844.7483       256.8654 640.1085       462.2756 149.0588 30.41415 108.5237 44.79469 40.53511       54.14411 
1 1 1 10  27 38 o 155.8701 25.48017 868.0685       224.8846 1123.987       261.6610 144.7545       439.8980 177.0136 25.97721 82.69046 38.28987 94.32312       46.27018 
1 1 1 10  27 39 o 135.8835 17.66563 603.3285       137.4523 566.7518       146.1566 883.2634       404.3384 130.0254 19.78979 127.6083 44.25950 2.417084       48.48236 
1 1 1 10  27 40 o 193.9150 24.59995 1338.604       273.4798 1341.266       337.5257 1333.517       466.6204 182.7243 32.69687 154.2933 47.18459 28.43103       57.40619 
1 1 1 10  28 0  o 324.9718 8.258915 3109.421       157.2777 3143.268       325.5392 3099.115       179.6333 324.5674 17.16305 324.2277 9.456936 0.3397217      19.59601 
1 1 1 10  28 1  o 215.2867 9.097616 1367.166       114.6081 1288.123       296.5021 1381.050       124.2667 204.9600 25.19611 216.2739 9.822800 -11.31390      27.04314 
1 1 1 10  28 2  o 176.9370 13.83611 932.3073       142.4355 796.5763       286.2057 976.9912       164.2158 158.3232 31.92686 180.7761 15.64278 -22.45296      35.55307 
1 1 1 10  28 3  o 190.8093 9.284928 1074.719       103.5912 1101.829       283.2462 1070.532       111.3020 189.0097 26.26064 190.3352 10.00602 -1.325577      28.10234 
1 1 1 10  28 4  o 205.9017 9.031384 1250.603       108.7945 1186.010       284.0950 1261.703       117.7725 196.5822 25.22200 206.7156 9.741895 -10.13345      27.03801 
1 1 1 10  28 5  o 415.4805 8.534700 5080.243       207.9646 4876.577       392.7990 5159.568       245.1414 404.7294 16.58349 418.4337 9.989400 -13.70432      19.35976 
1 1 1 10  28 6  o 175.3487 10.22169 909.2957       104.6619 1034.656       293.3311 891.0079       112.0363 182.3687 28.34593 173.4431 11.07197 8.925629       30.43157 
1 1 1 10  28 7  o 203.6923 10.74719 1226.916       127.9323 0.000000       0.000000 1226.916       127.9323 ?        ?        203.6923 10.74719 0.000000       10.74719 
1 1 1 10  28 8  o 210.1051 10.41713 1304.533       127.9613 1404.746       318.0839 1285.183       139.7700 213.9787 25.87130 208.3643 11.48213 5.614365       28.30483 
1 1 1 10  28 9  o 268.2964 12.05665 2130.297       189.2261 2281.699       308.8248 2039.287       239.4380 275.7878 19.21371 261.6621 15.67463 14.12567       24.79638 
1 1 1 10  28 10 o 162.5045 16.38261 792.4521       154.0055 787.9846       268.6986 794.6376       187.9381 158.0387 30.08892 161.7736 20.25119 -3.734955      36.26919 
1 1 1 10  28 11 o 154.7042 26.66988 745.8322       233.2408 453.2777       277.9030 1442.991       428.9986 119.4624 36.39039 212.6359 35.66227 -93.17354      50.95152 
1 1 1 10  28 12 o 325.8383 14.50142 3154.180       276.4227 3294.170       340.1650 2882.021       474.2986 332.0226 17.53127 306.7425 26.62853 25.28018       31.88141 
1 1 1 10  28 13 f 300.7509 14.69466 2690.417       258.4047 2516.257       306.5614 3117.852       480.2621 289.7558 18.13080 319.2487 25.87218 -29.49286      31.59265 
1 1 1 10  28 14 o 91.82677 33.32330 228.2278       231.5097 211.5203       265.8332 280.6848       471.0367 93.03022 35.33101 114.2873 45.94122 -21.25712      57.95581 
1 1 1 10  28 15 o 69.34012 30.27487 -23.99420      232.5751 -156.2742      265.9453 406.1143       479.5504 66.18641 30.32831 122.7656 47.24731 -56.57923      56.14370 
1 1 1 10  28 16 o 269.0823 15.52928 2163.267       244.0271 2092.675       286.2247 2351.140       466.9390 263.5696 18.63678 274.2051 29.49928 -10.63547      34.89322 
1 1 1 10  28 17 f 68.87434 28.96454 37.64146       198.5997 64.74860       221.2157 -74.96630      450.8770 74.35777 30.86671 91.90385 41.03775 -17.54607      51.35028 
1 1 1 10  28 18 o 198.7971 18.69575 1198.269       215.4146 1367.737       246.1364 643.6753       445.2646 212.0003 20.03415 137.9873 46.48124 74.01300       50.61494 
1 1 1 10  28 19 o 185.0935 20.50730 1048.602       218.8825 1064.853       248.5214 992.3973       462.1658 185.4093 23.37335 167.7231 45.73441 17.68626       51.36098 
1 1 1 10  28 20 o 88.32671 32.10307 217.6590       214.9785 188.1331       246.4037 311.7734       439.9195 87.89378 33.85684 111.7086 44.56956 -23.81479      55.97081 
1 1 1 10  28 21 o 137.9671 27.74774 612.4216       216.7304 830.1644       255.1085 47.60670       410.8717 161.0694 28.02323 93.07455 40.44387 67.99488       49.20375 
1 1 1 10  28 22 o 243.0494 16.74020 1784.901       237.1619 1643.031       274.2519 2205.581       472.2587 231.4900 20.40952 261.1828 31.46385 -29.69283      37.50363 
1 1 1 10  28 23 o 171.6618 22.51359 921.3141       221.1993 1025.177       255.4820 610.3394       442.0712 180.0487 24.85716 131.3505 46.22875 48.69820       52.48786 
1 1 1 10  28 24 f 127.8827 27.92104 538.5757       203.5228 569.2582       231.0100 432.1699       430.1974 130.2268 30.74339 115.9272 44.71473 14.29955       54.26383 
1 1 1 10  28 25 o 129.9516 26.85745 557.5180       197.9196 632.7738       223.2891 281.6459       427.5151 137.7130 28.58347 103.8693 42.99493 33.84367       51.62924 
1 1 1 10  28 26 o 63.81366 27.57262 19.71284       188.7897 -67.03376      209.3934 396.5730       436.4424 60.53914 27.41689 109.7858 44.19048 -49.24670      52.00466 
1 1 1 10  28 27 o 149.9197 21.31075 718.8736       182.1017 700.6593       201.1932 801.4143       428.2934 146.2225 24.31465 139.1776 45.54673 7.044922       51.63048 
1 1 1 10  28 28 o 53.32642 24.93482 -137.5427      193.8292 -157.0830      219.1357 -67.29660      415.4889 56.18469 26.34893 81.53918 37.56251 -25.35448      45.88255 
1 1 1 10  28 29 o 82.62357 31.46451 209.4648       211.1895 244.8018       234.9445 60.75006       481.9782 87.42171 33.21172 90.50462 41.22594 -3.082901      52.93956 
1 1 1 10  28 30 o 116.5159 30.73431 491.9183       213.0065 734.6524       237.8664 -490.6532      478.5748 144.6344 29.05179 71.64209 34.94821 72.99234       45.44650 
1 1 1 10  28 31 o 87.12424 31.81635 264.5334       211.5121 227.4854       240.9319 389.0511       441.7002 84.33244 33.19379 101.6779 43.00071 -17.34547      54.32208 
1 1 1 10  28 32 o 96.98916 30.98620 349.9322       198.9622 311.6070       218.1153 539.8510       485.5432 91.90471 32.46107 109.0501 45.53529 -17.14542      55.92123 
1 1 1 10  28 33 o 46.01768 22.28116 -234.7256      184.9978 -334.5554      207.2961 155.8554       410.0309 45.65857 22.42411 86.16687 38.75370 -40.50830      44.77377 
1 1 1 10  28 34 o 180.9535 18.98887 1062.219       198.5208 1063.923       222.7464 1055.643       437.7247 178.5606 21.71636 145.5210 45.89734 33.03961       50.77565 
1 1 1 10  28 35 o 149.2905 23.91398 770.8098       202.3146 877.7568       229.5695 398.9239       428.0898 157.6734 25.71109 96.39552 41.58461 61.27792       48.89111 
1 1 1 10  28 36 o 128.0599 27.51883 602.7348       200.5182 524.4495       220.0184 986.5694       487.1818 115.0572 31.62912 129.7522 48.13070 -14.69503      57.59310 
1 1 1 10  28 37 o 40.95755 20.54588 -505.4322      214.1623 -442.0119      241.4522 -739.3782      463.7401 46.27537 22.99216 60.99640 30.54571 -14.72103      38.23192 
1 1 1 10  28 38 o 255.7101 16.52322 2095.371       246.4688 2272.253       299.2858 1722.604       434.4727 261.8342 19.63285 198.4196 38.72650 63.41457       43.41878 
1 1 1 10  28 39 o 95.54821 35.57413 407.8386       266.6064 451.3631       325.1255 318.4973       465.8112 97.07718 38.45058 88.72549 40.45913 8.351692       55.81566 
1 1 1 10  29 0  o 145.1067 13.41609 628.1608       112.8808 0.000000       0.000000 628.1608       112.8808 ?        ?        145.1067 13.41609 0.000000       13.41609 
1 1 1 10  29 1  o 448.8848 9.053371 5932.894       238.3394 6334.637       460.3048 5785.731       278.5932 461.1428 17.04935 442.9182 10.72498 18.22461       20.14214 
1 1 1 10  29 2  o 211.0540 9.602092 1314.890       118.5416 2073.801       318.3909 1192.762       127.7242 262.3186 20.86761 200.7979 10.88656 61.52069       23.53666 
1 1 1 10  29 3  o 216.4643 13.28127 1391.230       167.7956 1967.377       332.6533 1194.611       194.3291 254.8973 22.48257 199.7693 16.74046 55.12799       28.03050 
1 1 1 10  29 4  o 296.4465 11.35040 2597.431       196.9722 3146.328       379.1277 2394.494       230.5263 323.7102 20.06872 284.0529 13.87994 39.65726       24.40094 
1 1 1 10  29 5  o 350.9901 8.793654 3628.922       180.8726 4200.659       401.2252 3483.098       202.6300 374.8920 18.30401 343.6194 10.06570 31.27264       20.88911 
1 1 1 10  29 6  o 314.6579 8.781162 2916.996       161.8886 3014.358       349.3064 2890.363       182.6939 317.2231 18.86063 313.0061 9.964934 4.217010       21.33127 
1 1 1 10  29 7  o 513.6067 9.505136 7771.442       286.3120 8134.115       514.4183 7608.673       344.6229 522.6255 16.80506 507.6310 11.57565 14.99454       20.40602 
1 1 1 10  29 8  o 186.9770 12.25646 1037.587       133.6604 0.000000       0.000000 1037.587       133.6604 ?        ?        186.9770 12.25646 0.000000       12.25646 
1 1 1 10  29 9  o 498.0449 14.85369 7366.422       433.3789 0.000000       0.000000 7366.422       433.3789 ?        ?        498.0449 14.85369 0.000000       14.85369 
1 1 1 10  29 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  29 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  29 12 o 277.3278 14.91623 2291.683       241.7141 1993.245       280.4498 3153.749       476.6486 257.3978 18.70569 320.8413 25.54200 -63.44351      31.65907 
1 1 1 10  29 13 o 271.8491 16.23468 2210.196       257.6554 2589.616       310.3144 1368.024       462.3194 293.6546 18.10638 203.2489 40.20947 90.40570       44.09809 
1 1 1 10  29 14 o 312.4843 14.81092 2911.283       270.6593 2518.291       314.0309 4046.556       533.7402 289.1846 18.61485 363.1226 25.21931 -73.93799      31.34527 
1 1 1 10  29 15 o 322.6484 14.73877 3105.657       278.1587 3277.267       327.0364 2656.787       528.9147 330.5710 16.92501 289.5709 31.65973 41.00015       35.89978 
1 1 1 10  29 16 o 95.33923 33.04111 270.5175       225.3214 189.1116       254.1601 569.4083       487.0076 89.03902 34.36247 132.8789 48.31550 -43.83984      59.28885 
1 1 1 10  29 17 o 160.7305 22.41279 800.0958       205.5354 687.9285       228.7394 1270.327       468.3423 146.8851 27.56513 192.1501 42.67083 -45.26501      50.79996 
1 1 1 10  29 18 o 269.4062 15.37478 2175.476       241.9135 2326.855       276.4289 1680.306       499.9524 277.9724 17.03816 223.4865 39.59315 54.48590       43.10355 
1 1 1 10  29 19 o 218.1034 17.98906 1441.703       228.0585 1490.060       263.4855 1297.271       455.3597 220.6617 20.59804 194.2289 41.25049 26.43271       46.10729 
1 1 1 10  29 20 o 189.9541 20.49341 1109.070       224.6947 1138.918       259.9810 1020.957       446.6898 191.0813 23.70741 169.0278 44.46986 22.05359       50.39454 
1 1 1 10  29 21 o 213.6967 19.45503 1398.641       241.1557 1203.209       276.0641 2028.126       495.4558 195.6083 24.60752 246.8995 35.21303 -51.29115      42.95913 
1 1 1 10  29 22 o 121.2787 30.06491 489.7150       212.7682 298.6900       241.4020 1154.692       450.4008 97.57874 34.17560 178.3080 43.46983 -80.72930      55.29555 
1 1 1 10  29 23 f 161.0988 23.35131 824.4427       214.2000 822.9077       244.0558 829.5906       446.9305 158.8898 27.16583 146.9394 46.38177 11.95041       53.75175 
1 1 1 10  29 24 o 175.4150 20.25479 963.5190       204.5520 1116.162       229.1920 365.9185       453.4887 188.4474 21.09942 109.5982 44.70438 78.84920       49.43346 
1 1 1 10  29 25 o 114.5756 30.34435 455.2858       207.1027 570.1616       231.9270 3.192000       460.0992 127.9208 31.19816 89.45063 40.56228 38.47014       51.17249 
1 1 1 10  29 26 o 120.4694 27.59821 495.1256       190.7927 492.1651       208.3427 510.5109       474.9439 118.7469 29.93053 115.6372 46.25184 3.109703       55.09146 
1 1 1 10  29 27 o 82.58579 30.51648 214.1400       195.5076 349.4174       214.4371 -452.1880      475.9171 99.17688 32.21293 73.56148 35.64597 25.61540       48.04486 
1 1 1 10  29 28 o 78.11965 30.51347 172.7497       202.2752 140.4352       226.9703 297.4783       445.9164 76.97380 31.53868 99.75118 42.72783 -22.77738      53.10702 
1 1 1 10  29 29 o 74.32225 30.06451 139.3741       203.1195 125.4725       223.1100 206.6876       490.9503 74.75845 31.01280 95.50873 42.72261 -20.75028      52.79219 
1 1 1 10  29 30 o 53.42628 25.12207 -140.8948      201.5130 -104.3607      220.8689 -322.3576      492.2423 58.10305 26.98290 75.77831 36.60677 -17.67526      45.47673 
1 1 1 10  29 31 o 136.1998 27.29400 654.5109       210.4173 746.2905       235.4251 290.0488       469.1435 144.2909 28.82958 95.68366 42.34159 48.60726       51.22456 
1 1 1 10  29 32 o 66.03085 28.57848 60.07348       203.4931 -34.00252      224.6128 490.9376       480.6901 61.93631 28.18574 104.5191 44.55519 -42.58281      52.72192 
1 1 1 10  29 33 o 98.65864 31.23256 375.8348       202.5230 396.1687       225.4962 291.0175       460.5438 99.93526 33.06586 92.73408 41.43726 7.201187       53.01319 
1 1 1 10  29 34 o 63.67118 28.44978 20.47871       217.0727 214.2487       244.6836 -695.6701      470.3957 80.45273 32.82938 63.17237 31.50153 17.28035       45.49852 
1 1 1 10  29 35 o 99.58503 31.22787 393.1447       202.9174 559.1468       229.7033 -196.7020      432.9920 118.2661 32.23990 71.65345 34.54426 46.61266       47.25164 
1 1 1 10  29 36 o 105.8669 33.63869 470.7301       234.7415 300.4590       270.1433 995.6620       474.3241 87.01647 34.85582 129.5513 47.59094 -42.53483      58.99005 
1 1 1 10  29 37 o 87.70718 33.17182 312.8925       233.7570 593.1198       282.1481 -300.4521      417.4209 114.2339 36.93829 66.62922 32.53252 47.60470       49.22197 
1 1 1 10  29 38 o 99.64919 35.39886 444.0723       259.6962 744.3808       329.5964 -47.61531      421.7386 123.3098 39.92774 73.84244 35.19413 49.46738       53.22453 
1 1 1 10  30 0  o 117.7055 26.59650 437.1378       179.2595 92.97041       319.1035 595.8257       216.6800 88.97634 37.01513 137.4935 27.82738 -48.51713      46.30856 
1 1 1 10  30 1  o 222.5922 11.94910 1468.098       155.4178 1691.902       319.7704 1398.879       177.8353 235.7123 23.44197 216.8314 14.06026 18.88086       27.33527 
1 1 1 10  30 2  o 559.6989 9.957202 9234.886       326.8454 9101.799       558.1075 9304.355       403.2254 552.4829 17.24570 561.0373 12.25478 -8.554382      21.15641 
1 1 1 10  30 3  o 53.16140 20.14126 61.66974       86.26682 -150.3089      292.8746 81.80845       90.27169 70.63255 32.15942 57.24570 20.80345 13.38685       38.30159 
1 1 1 10  30 4  o 97.93887 17.00054 293.5324       94.10925 -152.3934      298.4807 342.7553       99.16739 71.28635 32.46046 106.1405 16.46379 -34.85411      36.39695 
1 1 1 10  30 5  o 200.3215 10.15743 1186.418       118.9439 994.9111       290.1455 1225.103       130.4052 178.2350 28.73381 203.4326 10.97067 -25.19760      30.75691 
1 1 1 10  30 6  o 77.31448 21.07397 185.5411       98.15225 621.0305       292.8089 130.4128       104.1797 138.0565 35.85007 67.39048 22.48053 70.66602       42.31551 
1 1 1 10  30 7  o 447.6745 11.14145 5919.140       292.5193 0.000000       0.000000 5919.140       292.5193 ?        ?        447.6745 11.14145 0.000000       11.14145 
1 1 1 10  30 8  o 246.0568 10.70956 1790.758       154.1758 0.000000       0.000000 1790.758       154.1758 ?        ?        246.0568 10.70956 0.000000       10.70956 
1 1 1 10  30 9  o 306.8499 11.30751 2786.198       203.1422 2869.930       309.9888 2723.175       268.9376 309.6393 17.13707 302.2488 15.22077 7.390533       22.92053 
1 1 1 10  30 10 f 223.9897 21.15188 1524.708       274.5703 1524.708       274.5703 0.000000       0.000000 223.9897 21.15188 ?        ?        0.000000       21.15188 
1 1 1 10  30 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  30 12 o 154.2080 28.04079 754.4024       244.2601 775.4115       283.7639 694.3099       479.9140 154.6541 32.32808 143.1282 48.25599 11.52594       58.08395 
1 1 1 10  30 13 o 135.9135 36.75953 615.3054       300.0154 615.3054       300.0154 0.000000       0.000000 135.9135 36.75953 ?        ?        0.000000       36.75953 
1 1 1 10  30 14 o 164.5453 27.49189 857.5485       255.9487 995.7348       297.6458 465.3802       501.4223 176.5082 29.81388 125.8070 48.33989 50.70118       56.79448 
1 1 1 10  30 15 o 202.8319 20.36176 1256.709       238.9429 1381.634       276.5453 888.7476       474.6168 211.8080 22.61178 158.0329 47.43283 53.77515       52.54679 
1 1 1 10  30 16 o 200.7916 19.61215 1229.533       228.0108 1283.401       263.5876 1069.406       454.4558 204.0205 22.39710 174.4039 44.34015 29.61665       49.67574 
1 1 1 10  30 17 o 173.1190 20.26457 920.1693       201.8576 1024.505       227.7376 537.7853       435.9821 182.1913 21.74218 127.7148 45.81060 54.47658       50.70832 
1 1 1 10  30 18 o 72.97163 29.92208 81.01203       204.4993 -57.39417      230.1373 600.4452       445.8349 65.82127 29.35984 132.2726 46.43542 -66.45132      54.93859 
1 1 1 10  30 19 o 343.7948 13.44336 3531.161       270.5327 3404.046       318.7581 3858.524       511.5382 336.1310 16.21756 351.6422 24.96665 -15.51120      29.77151 
1 1 1 10  30 20 o 151.9517 26.12868 741.1099       224.4557 713.6631       252.8537 843.1250       487.4790 146.9635 30.34232 149.5502 48.56850 -2.586670      57.26740 
1 1 1 10  30 21 o 187.5063 20.62019 1092.427       223.0179 997.3784       256.0883 1390.797       453.7264 176.5395 25.46985 197.6785 40.49954 -21.13899      47.84272 
1 1 1 10  30 22 o 123.9534 29.42329 518.3424       210.6741 571.8641       240.0733 339.0820       439.3602 129.0116 31.90889 108.0789 44.03338 20.93266       54.37937 
1 1 1 10  30 23 o 180.6165 20.15088 1023.482       209.8211 1023.813       234.6735 1022.161       468.4854 179.0164 22.87409 158.7089 47.00314 20.30746       52.27350 
1 1 1 10  30 24 f 233.6190 16.70582 1679.985       227.3791 1572.282       254.5885 2104.596       505.4996 224.0168 19.57438 241.6655 36.82850 -17.64870      41.70725 
1 1 1 10  30 25 o 137.9156 27.10746 643.7642       211.4355 595.1424       233.1547 868.8687       501.6728 129.8346 31.04111 139.4692 49.23280 -9.634613      58.20154 
1 1 1 10  30 26 o 236.3304 16.27083 1725.455       224.1410 1726.672       248.6351 1720.176       517.8753 234.9458 18.18596 206.1024 44.17214 28.84335       47.76931 
1 1 1 10  30 27 o 104.5466 30.62409 392.9258       199.7869 279.4969       216.7646 1033.118       514.9696 90.16728 32.30659 147.3435 49.98595 -57.17621      59.51732 
1 1 1 10  30 28 o 69.49110 29.23658 88.46385       202.4862 105.0017       223.2234 11.65564       481.0645 72.88456 30.68266 86.67045 40.10079 -13.78589      50.49256 
1 1 1 10  30 29 o 95.91206 30.63473 338.2903       194.4832 481.4579       216.3834 -263.5196      443.6405 113.4516 31.43659 73.76628 35.40924 39.68534       47.35054 
1 1 1 10  30 30 o 85.23628 30.49288 257.1596       193.0307 275.7653       208.9292 148.6772       504.4937 87.58977 31.67456 90.61688 41.61498 -3.027115      52.29804 
1 1 1 10  30 31 o 55.11687 25.50811 -82.99557      194.8357 -109.8242      207.2711 120.6774       571.0922 55.33836 25.84586 90.73814 42.54797 -35.39977      49.78291 
1 1 1 10  30 32 o 105.6842 29.60408 422.1672       190.7673 378.7162       210.4947 621.9274       451.3315 98.46192 31.91043 110.5330 44.77798 -12.07104      54.98494 
1 1 1 10  30 33 o 230.6594 18.00205 1714.911       241.5977 1957.617       282.6423 1056.525       465.5183 244.0936 19.91675 139.0003 47.51863 105.0934       51.52375 
1 1 1 10  30 34 o 74.39631 30.33401 170.3612       208.7001 56.16533       240.4670 518.9493       420.1328 67.83440 30.14971 102.1388 42.48010 -34.30440      52.09188 
1 1 1 10  30 35 o 170.3762 24.71973 1024.940       239.7989 1063.730       276.6767 907.8293       480.7421 168.4735 29.05108 122.4815 47.26178 45.99202       55.47649 
1 1 1 10  30 36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  30 37 o 96.49345 34.82199 409.6339       252.3511 524.0334       320.3562 222.5828       409.6388 103.4328 38.89593 83.68953 38.07684 19.74325       54.43105 
1 1 1 10  31 0  o 114.3124 17.66633 398.9583       114.6231 0.000000       0.000000 398.9583       114.6231 ?        ?        114.3124 17.66633 0.000000       17.66633 
1 1 1 10  31 1  o 303.9231 9.262548 2725.147       164.9064 2772.419       371.7789 2713.568       183.9972 302.7748 21.06844 303.0441 10.36800 -0.2692871     23.48136 
1 1 1 10  31 2  o 323.1962 9.207260 3081.259       174.3429 3053.861       370.4632 3089.052       197.5910 318.3124 19.94478 323.3340 10.43360 -5.021667      22.50898 
1 1 1 10  31 3  o 231.9234 9.581686 1588.793       130.0471 1684.929       331.0115 1571.246       141.4185 234.3367 24.44431 230.4711 10.49009 3.865601       26.60012 
1 1 1 10  31 4  o 280.7344 9.031073 2325.077       148.4978 2294.962       332.5606 2332.577       165.9621 275.3994 20.74250 280.9781 10.08768 -5.578705      23.06540 
1 1 1 10  31 5  o 106.7823 16.55793 347.6596       100.3391 274.1900       294.1198 357.3365       106.7427 100.8512 37.39957 108.0786 17.43327 -7.227425      41.26314 
1 1 1 10  31 6  o 151.9482 13.86535 690.8255       122.1998 0.000000       0.000000 690.8255       122.1998 ?        ?        151.9482 13.86535 0.000000       13.86535 
1 1 1 10  31 7  o 142.5896 14.28653 609.9811       117.8643 0.000000       0.000000 609.9811       117.8643 ?        ?        142.5896 14.28653 0.000000       14.28653 
1 1 1 10  31 8  o 463.8625 11.94502 6375.202       324.6873 6720.203       461.3177 6036.531       457.0662 473.9884 16.62090 448.7779 17.39886 25.21051       24.06189 
1 1 1 10  31 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  31 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  31 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  31 12 o 191.7009 23.78878 1139.674       261.7169 912.2325       305.9218 1760.529       505.4417 167.4314 32.32531 229.7608 38.89620 -62.32941      50.57509 
1 1 1 10  31 13 o 187.5127 24.31332 1095.065       261.0889 1083.360       306.9421 1125.699       496.5628 184.1054 29.41722 177.4969 46.97608 6.608536       55.42675 
1 1 1 10  31 14 o 174.9108 25.50977 961.5516       253.9812 1118.848       298.5366 549.3834       483.2543 187.7149 27.97012 130.0039 47.98854 57.71097       55.54483 
1 1 1 10  31 15 o 77.90987 31.49131 109.4943       222.6621 55.15511       258.4176 266.1138       438.7210 77.65915 32.86904 108.1477 44.02379 -30.48851      54.94058 
1 1 1 10  31 16 o 199.5949 20.87507 1225.581       240.7494 1227.193       280.5479 1221.078       468.9168 197.9262 24.70517 185.6792 43.77874 12.24698       50.26852 
1 1 1 10  31 17 o 200.5749 18.96515 1230.228       220.4424 1137.161       246.1496 1607.275       495.4484 191.2581 22.36653 215.3796 40.71457 -24.12152      46.45361 
1 1 1 10  31 18 o 175.5240 22.39550 963.0333       225.2970 1152.353       258.6931 368.5037       458.4312 191.6394 23.50892 113.8273 45.46999 77.81213       51.18779 
1 1 1 10  31 19 o 122.4724 29.83042 500.9517       212.2478 475.6735       237.1256 602.8137       476.0053 118.2224 32.96543 129.4235 47.65290 -11.20110      57.94410 
1 1 1 10  31 20 o 61.48354 27.80413 -72.39381      214.4195 157.8499       243.4647 -868.3457      452.6740 82.65795 33.09676 64.04469 31.76257 18.61326       45.87217 
1 1 1 10  31 21 o 74.35104 29.89916 119.7214       199.5935 187.5321       224.5158 -135.8577      435.8735 83.26302 32.25240 82.76967 38.25182 0.4933548      50.03418 
1 1 1 10  31 22 o 221.9147 17.35868 1519.979       224.1227 1523.385       256.4507 1508.968       461.1270 220.3491 20.06443 200.7936 40.55603 19.55551       45.24791 
1 1 1 10  31 23 o 196.1507 19.03461 1206.354       216.2203 1224.097       245.6914 1145.418       455.3116 195.6993 21.77503 167.1492 45.31760 28.55014       50.27760 
1 1 1 10  31 24 o 215.2067 16.74704 1434.264       209.7078 1450.633       236.6755 1374.467       452.3678 214.8446 18.97853 186.2761 42.36768 28.56850       46.42419 
1 1 1 10  31 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  31 26 o 143.6508 26.79283 706.9696       217.4226 812.7316       238.6838 191.4020       526.9880 153.6840 27.49087 96.74670 43.68523 56.93726       51.61538 
1 1 1 10  31 27 o 86.70439 31.45364 259.8103       206.2363 244.6075       226.8029 332.4150       495.6427 85.66996 32.61110 100.3457 43.99466 -14.67572      54.76325 
1 1 1 10  31 28 f 102.7443 30.91710 393.9092       201.4529 367.7012       221.5750 518.8595       483.8074 98.52586 32.78297 108.0883 45.31597 -9.562447      55.93086 
1 1 1 10  31 29 o 77.87217 29.93311 194.4758       192.3149 105.3220       212.3992 600.1357       453.0687 70.78370 29.87102 112.1931 45.07136 -41.40942      54.07130 
1 1 1 10  31 30 o 59.14008 26.78927 -28.40883      200.0506 32.25421       213.3056 -471.5078      576.4883 64.83814 28.62771 75.64999 37.20169 -10.81184      46.94158 
1 1 1 10  31 31 o 114.8801 29.94618 500.3662       203.7892 581.7994       217.9383 -66.40257      574.9572 123.9382 30.25234 83.78703 40.24315 40.15114       50.34595 
1 1 1 10  31 32 f 107.4041 31.39551 455.2690       210.1694 644.8879       241.4381 -137.8593      427.0114 127.8557 32.21674 73.38011 35.09422 54.47562       47.63951 
1 1 1 10  31 33 o 53.62106 25.14721 -105.7890      199.6213 -125.5905      225.7657 -34.83966      427.3500 55.97343 26.40321 76.25671 36.07769 -20.28327      44.70715 
1 1 1 10  31 34 o 64.34937 28.84440 31.53547       225.0521 27.46851       271.2687 40.51548       403.0903 68.10069 30.98479 76.96017 35.97671 -8.859482      47.48032 
1 1 1 10  31 35 o 83.00146 32.29572 266.5955       225.8970 481.2119       265.4770 -296.5177      430.0246 103.5917 35.86656 67.45760 32.95493 36.13408       48.70767 
1 1 1 10  31 36 o 49.27351 23.93908 -245.1239      218.3542 19.39184       267.8317 -769.4047      377.0668 66.72930 30.52391 53.01425 26.68350 13.71505       40.54280 
1 1 1 10  32 0  o 364.4766 9.369515 3921.913       200.1138 3485.926       372.9019 4098.252       237.1546 340.1446 18.76578 372.1518 10.87745 -32.00717      21.69040 
1 1 1 10  32 1  o 167.3348 12.26401 834.0494       119.5205 969.1978       344.7439 815.5858       127.4235 171.8530 35.38432 165.2455 13.25950 6.607529       37.78709 
1 1 1 10  32 2  o 147.8421 14.45647 656.2952       123.7461 0.000000       0.000000 656.2952       123.7461 ?        ?        147.8421 14.45647 0.000000       14.45647 
1 1 1 10  32 3  o 367.2743 9.103415 3978.913       196.0854 4109.108       391.3437 3935.270       226.5798 369.6224 18.10812 364.7218 10.60402 4.900574       20.98450 
1 1 1 10  32 4  o 113.7228 15.63918 392.7509       101.5473 734.0505       286.7066 343.7942       108.5864 149.6989 33.49497 105.6279 18.18450 44.07092       38.11285 
1 1 1 10  32 5  o 223.6268 10.10882 1480.424       132.2362 1900.357       314.5350 1390.264       145.7421 249.4332 21.71757 216.3869 11.52585 33.04631       24.58654 
1 1 1 10  32 6  o 152.6698 12.75772 696.4192       113.1857 1224.031       309.4966 614.9602       121.6097 197.2491 27.50078 142.9453 14.71602 54.30380       31.19061 
1 1 1 10  32 7  o 321.3443 9.051511 3049.278       170.4156 4002.588       377.5417 2805.344       190.9781 364.7332 17.70264 307.8131 10.59483 56.92017       20.63090 
1 1 1 10  32 8  o 140.1078 15.52830 593.1271       125.4562 0.000000       0.000000 593.1271       125.4562 ?        ?        140.1078 15.52830 0.000000       15.52830 
1 1 1 10  32 9  o 280.6882 9.599469 2329.882       157.7910 2811.828       339.6412 2197.230       178.1881 304.7250 19.10081 272.1593 11.18747 32.56564       22.13595 
1 1 1 10  32 10 o 222.2374 13.17224 1473.639       170.9129 1444.295       308.2724 1486.662       205.3659 215.3770 24.86110 222.3716 15.85096 -6.994522      29.48435 
1 1 1 10  32 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  32 12 f 120.8673 32.85977 483.8759       239.0005 479.6955       291.0615 492.5290       418.7589 119.9387 37.36895 123.5132 44.81797 -3.574509      58.35314 
1 1 1 10  32 13 o 43.98429 21.98035 -601.3351      234.4428 -672.2350      285.5979 -454.8504      410.5146 49.71486 24.75133 71.68817 34.31860 -21.97332      42.31305 
1 1 1 10  32 14 o 197.5203 25.46216 1229.049       288.1018 1229.049       288.1018 0.000000       0.000000 197.5203 25.46216 ?        ?        0.000000       25.46216 
1 1 1 10  32 15 o 153.9385 27.23577 763.0074       236.8931 748.8524       274.1676 804.7068       470.5726 150.0231 32.12898 147.5830 47.70211 2.440094       57.51316 
1 1 1 10  32 16 o 58.57592 27.16389 -152.0838      222.6328 -85.17578      258.2039 -345.9771      439.5466 67.58144 30.54127 77.52530 36.65128 -9.943855      47.70834 
1 1 1 10  32 17 o 100.5494 32.64732 333.0548       220.2702 367.1864       250.5156 216.7536       462.4330 105.0659 34.85518 103.7109 43.93573 1.354942       56.08236 
1 1 1 10  32 18 o 97.18838 31.86393 312.3159       209.5742 335.6181       240.7203 239.3414       425.9914 100.5729 34.17471 101.6286 42.55917 -1.055695      54.58199 
1 1 1 10  32 19 o 76.21799 30.00997 140.6228       196.9881 34.78201       222.0246 532.1245       427.0132 69.65842 29.99823 120.2408 44.97092 -50.58235      54.05810 
1 1 1 10  32 20 o 85.60483 30.98501 228.9531       199.9896 145.2431       230.0409 488.0301       404.6978 79.18461 32.00803 115.1015 43.62082 -35.91685      54.10443 
1 1 1 10  32 21 o 111.9981 30.47223 439.6960       205.4375 448.1701       236.0834 413.2642       416.9497 111.6706 33.43865 108.5659 43.36546 3.104614       54.76044 
1 1 1 10  32 22 o 60.81131 26.99420 -16.39497      192.1568 -95.18595      214.7168 300.5537       430.6478 58.92889 27.09427 100.7725 42.53054 -41.84363      50.42764 
1 1 1 10  32 23 o 151.3108 22.96089 749.2100       197.3652 566.2757       217.6426 1595.985       468.2527 126.7539 29.78513 202.3197 40.87168 -75.56582      50.57319 
1 1 1 10  32 24 f 98.62988 31.58862 349.8506       206.6765 340.5063       232.7308 384.7154       449.5440 97.21335 33.58544 104.3225 43.70580 -7.109146      55.11968 
1 1 1 10  32 25 o 185.5862 20.17463 1106.284       216.0551 1075.260       248.0761 1203.727       439.6546 179.7046 24.14900 167.6842 44.11919 12.02045       50.29589 
1 1 1 10  32 26 o 199.1048 19.02644 1267.373       219.4733 1495.753       254.8420 611.6260       431.8266 215.0697 20.44997 115.6636 44.74940 99.40612       49.20071 
1 1 1 10  32 27 o 114.9807 30.17618 489.4297       206.0135 487.6443       226.5136 497.9757       495.5710 112.8839 32.47537 106.3940 45.29321 6.489899       55.73262 
1 1 1 10  32 28 o 73.81924 29.58528 156.0757       194.7312 166.7011       212.4797 100.3267       486.7014 76.00063 30.74726 87.22793 40.35040 -11.22730      50.73016 
1 1 1 10  32 29 f 132.7285 27.26616 632.0568       205.1396 676.8727       223.5065 392.5057       516.7411 135.9159 28.92816 98.63934 43.99668 37.27652       52.65497 
1 1 1 10  32 30 o 78.76096 30.49303 211.5417       200.6129 206.0871       222.9132 234.7847       460.1494 79.06974 31.66599 89.34358 40.53387 -10.27384      51.43666 
1 1 1 10  32 31 o 102.8345 32.03824 424.1984       213.9469 376.5062       242.6938 590.4989       453.1912 95.58344 34.19160 106.0138 44.10804 -10.43037      55.80847 
1 1 1 10  32 32 o 88.43902 31.49649 306.7411       205.7153 309.2288       236.7469 299.0734       415.6340 88.25714 33.38251 89.48154 39.71194 -1.224396      51.87899 
1 1 1 10  32 33 o 75.62318 31.33368 182.0937       227.3678 212.6480       272.5388 112.1447       412.3658 79.81436 33.76697 80.00433 37.05520 -0.1899643     50.13279 
1 1 1 10  32 34 o 58.42028 27.07009 -54.04292      220.4332 -88.74934      269.0905 16.75858       384.3391 61.70042 29.01825 74.40502 34.89414 -12.70460      45.38347 
1 1 1 10  32 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  33 0  o 137.9800 14.09622 572.6925       112.4685 372.2548       330.8957 598.8727       119.5882 110.6700 39.88291 140.9834 14.67805 -30.31335      42.49813 
1 1 1 10  33 1  o 96.27438 19.24812 288.9898       104.8788 63.89672       317.3155 316.5952       111.1240 85.22478 36.26085 100.8090 19.50092 -15.58421      41.17202 
1 1 1 10  33 2  o 205.0187 11.26234 1248.694       134.8966 844.5124       326.1295 1332.118       148.1655 159.1030 35.81715 211.5971 11.98857 -52.49413      37.77028 
1 1 1 10  33 3  o 78.70586 22.19475 194.2329       106.8520 226.5841       296.7354 189.4131       114.5354 95.58923 37.06446 78.03046 23.27326 17.55877       43.76550 
1 1 1 10  33 4  o 209.7700 11.68149 1308.545       143.1442 0.000000       0.000000 1308.545       143.1442 ?        ?        209.7700 11.68149 0.000000       11.68149 
1 1 1 10  33 5  o 299.4847 9.477692 2652.074       166.2573 2553.002       337.1654 2683.903       191.1067 289.7403 19.96395 300.8931 10.84737 -11.15283      22.72058 
1 1 1 10  33 6  o 290.6250 13.21630 2517.660       224.6753 3009.377       346.6237 2161.384       295.0487 315.2270 18.83516 266.9162 18.97179 48.31082       26.73373 
1 1 1 10  33 7  o 209.2179 10.51714 1298.689       128.6329 1370.107       304.7083 1283.201       141.8966 209.3053 25.33820 207.6775 11.69745 1.627792       27.90797 
1 1 1 10  33 8  o 36.59670 17.68271 -176.7113      115.0032 -326.1219      279.7227 -146.3192      126.1587 59.69699 28.51029 40.98886 19.45366 18.70812       34.51495 
1 1 1 10  33 9  o 284.4774 19.77112 2464.673       327.8072 2464.673       327.8072 0.000000       0.000000 284.4774 19.77112 ?        ?        0.000000       19.77112 
1 1 1 10  33 10 o 228.3651 13.37422 1558.963       178.3378 1862.151       322.8106 1425.780       213.9514 245.4695 22.67964 217.1045 16.93729 28.36502       28.30615 
1 1 1 10  33 11 o 457.8660 16.54169 6313.134       443.4599 6313.134       443.4599 0.000000       0.000000 457.8660 16.54169 ?        ?        0.000000       16.54169 
1 1 1 10  33 12 o 252.1160 20.86894 1955.230       305.8066 1955.230       305.8066 0.000000       0.000000 252.1160 20.86894 ?        ?        0.000000       20.86894 
1 1 1 10  33 13 o 79.51071 32.49407 113.9108       240.1550 42.40754       294.3328 256.3238       415.3846 80.05119 34.50718 104.2390 42.68316 -24.18777      54.88713 
1 1 1 10  33 14 o 57.99037 26.98268 -160.8330      222.5283 -176.9771      268.2901 -125.2402      398.3620 63.93896 29.70870 81.66824 37.30762 -17.72928      47.69136 
1 1 1 10  33 15 o 129.8283 30.48458 567.1896       228.1232 594.0394       265.3033 491.0259       446.8333 131.0772 34.16815 119.9912 45.75004 11.08596       57.10104 
1 1 1 10  33 16 o 129.8925 29.63575 568.9182       220.7575 629.2307       252.0742 370.4207       457.3011 135.2930 32.23051 110.8258 45.00845 24.46721       55.35852 
1 1 1 10  33 17 o 107.3861 30.46346 395.3769       200.6876 457.5255       227.7700 179.6629       424.3457 114.5697 32.43789 96.71170 41.55809 17.85801       52.71899 
1 1 1 10  33 18 o 102.2222 30.94848 361.4970       201.4218 306.4970       230.0280 542.2913       417.0535 95.53387 33.36773 119.2265 44.47305 -23.69268      55.59908 
1 1 1 10  33 19 o 168.7113 20.99407 906.2624       203.2450 1142.770       234.3602 188.7492       408.2031 189.3355 21.48520 94.24307 40.63130 95.09239       45.96212 
1 1 1 10  33 20 o 86.54116 30.23394 247.7174       188.8565 196.9071       214.5120 422.8362       398.2376 82.03787 31.59286 107.8888 42.61080 -25.85094      53.04516 
1 1 1 10  33 21 o 64.89243 28.16903 28.52396       198.8966 -91.68813      225.3776 451.7982       422.9097 60.39976 27.76623 109.1873 43.65393 -48.78757      51.73615 
1 1 1 10  33 22 f 54.98095 25.63199 -126.0275      202.3534 -216.1753      226.2154 234.9235       452.6563 54.06524 25.77021 96.49258 42.18088 -42.42735      49.43005 
1 1 1 10  33 23 o 157.6027 24.31870 829.1528       217.5546 941.9924       245.4021 414.8939       470.2009 166.8245 25.92368 105.4413 44.46766 61.38322       51.47242 
1 1 1 10  33 24 o 70.88281 29.44312 108.3656       201.4638 184.2434       220.3337 -278.5668      497.5552 79.34946 31.58067 77.73550 37.36244 1.613960       48.92127 
1 1 1 10  33 25 o 63.80140 27.80428 37.00852       195.3760 43.13020       214.4893 7.179637       473.4658 66.41778 29.03484 84.31979 39.27557 -17.90201      48.84253 
1 1 1 10  33 26 o 59.20465 26.62855 -19.73702      193.6147 40.38702       217.5792 -248.4598      424.3732 66.28317 29.10213 72.06050 34.60123 -5.777328      45.21260 
1 1 1 10  33 27 o 44.82593 21.77250 -242.9375      180.3007 -268.2118      199.7563 -131.8203      418.8429 46.87694 22.80261 74.75109 35.46838 -27.87415      42.16592 
1 1 1 10  33 28 f 105.4456 30.28696 424.7074       197.1639 394.7645       215.1739 581.4487       492.3046 100.1994 32.24516 107.1129 45.35276 -6.913551      55.64730 
1 1 1 10  33 29 o 88.70496 30.84175 300.5641       196.3982 251.7503       214.6383 551.7002       486.8445 83.14312 31.70642 104.1869 44.63712 -21.04374      54.75189 
1 1 1 10  33 30 o 57.48761 26.51723 -56.44569      208.0273 17.97027       240.6720 -276.3019      413.6775 65.43414 29.53643 67.99090 33.01365 -2.556755      44.29787 
1 1 1 10  33 31 o 84.97033 31.51824 277.9315       208.9126 339.8011       237.6802 67.75101       438.0770 91.19098 33.65593 80.04770 37.44788 11.14328       50.34943 
1 1 1 10  33 32 o 64.98769 29.17838 36.00172       231.3344 -161.5177      268.3340 607.7598       456.5380 58.65659 27.98872 103.9643 43.82928 -45.30770      52.00360 
1 1 1 10  33 33 o 46.72327 23.00602 -335.9937      222.7919 -595.0493      265.5835 279.2946       409.3021 45.23547 22.71786 86.43909 38.81055 -41.20361      44.97065 
1 1 1 10  33 34 o 134.5487 32.82841 747.0386       256.7171 611.5839       332.0689 948.2498       404.7224 109.6495 39.89230 130.8507 44.31416 -21.20119      59.62500 
1 1 1 10  34 0  o 108.9372 18.52913 367.5001       114.1462 -84.77386      302.2485 442.7360       123.2752 74.02703 33.28498 119.9416 18.08673 -45.91457      37.88166 
1 1 1 10  34 1  o 58.58164 21.66537 84.92715       98.58073 -126.2471      300.3773 110.4180       104.3611 71.56662 32.57851 63.50683 22.45168 8.059788       39.56561 
1 1 1 10  34 2  o 166.3995 12.54552 827.6790       121.5292 1308.743       304.1785 736.3026       132.5697 203.9068 26.02845 156.3459 14.62780 47.56091       29.85720 
1 1 1 10  34 3  o 117.1237 17.23285 420.8886       114.8377 168.3153       291.8918 467.1421       124.9109 89.81695 36.14380 123.3423 17.78070 -33.52539      40.28061 
1 1 1 10  34 4  o 88.80732 20.29502 248.7526       103.3875 65.41226       293.6172 274.7016       110.4620 82.22900 34.92942 93.29641 20.72681 -11.06741      40.61607 
1 1 1 10  34 5  o 143.3214 13.94354 618.4617       115.7220 751.1774       299.2364 595.1229       125.4854 149.4593 34.79187 140.1282 15.52961 9.331131       38.10043 
1 1 1 10  34 6  o 57.53885 22.61714 64.41039       111.7236 0.000000       0.000000 64.41039       111.7236 ?        ?        57.53885 22.61714 0.000000       22.61714 
1 1 1 10  34 7  o 95.71734 22.92044 292.6697       126.9632 1037.398       293.0123 120.5252       140.8749 179.3696 28.83069 69.14503 25.83638 110.2246       38.71340 
1 1 1 10  34 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  34 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  34 10 f 99.24702 24.96559 319.2844       145.1622 689.5996       314.9944 219.4333       163.5662 140.5644 37.51279 84.24556 28.16968 56.31880       46.91205 
1 1 1 10  34 11 o 36.63968 17.35877 -112.1080      99.59293 -400.5905      280.0330 -70.33580      106.5598 56.36568 27.32041 41.57887 19.10612 14.78681       33.33839 
1 1 1 10  34 12 o 215.8796 23.10913 1466.288       288.0339 1466.288       288.0339 0.000000       0.000000 215.8796 23.10913 ?        ?        0.000000       23.10913 
1 1 1 10  34 13 f 69.79327 29.50711 53.99936       207.8768 130.0207       241.7519 -161.6823      407.2011 80.02479 32.64067 79.91594 36.94686 0.1088486      49.29993 
1 1 1 10  34 14 o 53.78935 25.16042 -153.5090      197.6496 -39.02961      230.8006 -468.3724      382.7668 65.65930 29.33703 66.13747 32.02926 -0.4781723     43.43426 
1 1 1 10  34 15 o 156.4870 28.82879 823.0193       254.8331 823.0193       254.8331 0.000000       0.000000 156.4870 28.82879 ?        ?        0.000000       28.82879 
1 1 1 10  34 16 o 152.8642 24.21381 762.0134       209.8545 859.0405       238.8283 433.3259       439.5730 161.1828 26.16097 111.1595 44.48428 50.02331       51.60666 
1 1 1 10  34 17 o 59.86310 26.98833 -49.37176      200.2212 -25.06814      230.8777 -123.0927      402.1074 65.65686 29.33852 78.66138 36.48798 -13.00452      46.82009 
1 1 1 10  34 18 o 84.19769 30.79324 225.7434       198.2375 177.6427       226.1134 385.5396       412.1301 80.86090 32.05355 105.4201 42.75908 -24.55924      53.43940 
1 1 1 10  34 19 o 97.92112 30.73227 339.4044       196.4859 276.8191       224.2083 546.5800       407.9290 90.46980 32.79892 115.9235 43.82584 -25.45369      54.74005 
1 1 1 10  34 20 o 131.3559 26.65399 589.9656       198.3080 520.4163       223.4563 847.8318       430.2722 119.9233 31.40562 138.8651 45.66331 -18.94180      55.42068 
1 1 1 10  34 21 o 58.17273 26.54517 -64.69615      200.9576 -261.9697      232.7497 513.0845       398.3237 52.86423 25.44567 111.6301 43.03453 -58.76583      49.99454 
1 1 1 10  34 22 f 199.1290 18.55796 1258.521       214.2329 1277.023       245.2394 1198.918       440.1699 198.1440 21.44510 166.1203 44.34946 32.02370       49.26222 
1 1 1 10  34 23 o 76.90340 30.30624 176.3670       201.0518 297.0201       225.3363 -294.6321      445.2172 90.47772 32.86989 72.84084 35.09453 17.63689       48.08384 
1 1 1 10  34 24 o 207.1291 18.77532 1374.921       225.6008 1430.327       256.8826 1188.082       471.7242 208.8417 21.26984 156.5623 47.35387 52.27934       51.91142 
1 1 1 10  34 25 o 77.76575 31.08903 184.9677       214.4779 243.0861       238.1383 -64.68012      493.5555 84.28577 33.05333 81.72881 38.69775 2.556953       50.89242 
1 1 1 10  34 26 o 148.6425 25.81724 774.2658       216.9011 781.8641       241.0579 741.9529       497.1072 146.1843 29.14017 117.2190 47.16902 28.96535       55.44426 
1 1 1 10  34 27 o 63.63120 28.14806 32.79946       207.1582 -50.73771      235.3192 320.5026       436.7066 61.47540 28.30122 92.82006 40.97308 -31.34467      49.79711 
1 1 1 10  34 28 f 63.16554 28.05358 30.16728       207.8006 107.3572       229.5929 -319.5198      488.6726 70.73742 30.48445 72.05975 35.18745 -1.322327      46.55597 
1 1 1 10  34 29 o 54.10781 25.53446 -126.1917      211.5799 -90.66787      234.8005 -279.6146      487.9603 58.70752 27.44867 72.44755 35.32971 -13.74002      44.73944 
1 1 1 10  34 30 o 85.95401 31.83471 289.5471       212.9818 278.6714       236.2171 336.8134       492.4479 84.79331 33.01607 91.47549 41.66939 -6.682182      53.16389 
1 1 1 10  34 31 o 78.18338 31.75628 215.7442       227.6910 295.7210       260.6734 -41.66856      467.6596 85.71391 34.27145 76.49228 36.62138 9.221626       50.15634 
1 1 1 10  34 32 o 59.24186 27.49591 -53.68496      228.8416 -113.9379      259.1949 159.3195       487.3396 59.47365 28.12540 83.28180 39.13157 -23.80815      48.19044 
1 1 1 10  34 33 o 92.05153 34.65006 373.8468       254.3705 310.6540       317.8369 486.4378       424.2504 86.09377 36.44640 95.85882 41.37564 -9.765045      55.13877 
1 1 1 10  35 0  o 241.2297 17.55005 1768.515       246.5919 2232.788       369.0996 1394.227       331.4050 267.4354 23.78056 208.5831 27.78147 58.85231       36.56945 
1 1 1 10  35 1  o 297.7226 14.51269 2661.267       252.6386 2525.999       360.6666 2791.578       353.9966 285.9886 21.66452 301.7502 20.11818 -15.76160      29.56506 
1 1 1 10  35 2  o 231.8014 18.16910 1638.219       245.0293 1384.894       340.8461 1909.156       352.4948 207.1430 28.83756 246.4967 24.71632 -39.35374      37.98028 
1 1 1 10  35 3  o 102.6453 18.57001 328.8553       107.6756 714.8215       317.7434 278.7818       114.4473 143.3590 37.40427 93.58109 21.32915 49.77795       43.05824 
1 1 1 10  35 4  o 172.4303 12.41119 890.4352       124.6701 1164.115       320.7090 841.7166       135.3124 188.7995 29.96383 167.1692 13.92808 21.63028       33.04273 
1 1 1 10  35 5  o 119.7978 16.75616 441.1380       114.5108 335.9583       301.2139 458.9072       123.8063 103.7938 37.95808 121.8650 17.85187 -18.07127      41.94645 
1 1 1 10  35 6  o 41.57268 18.99636 -61.34921      103.3734 -118.2678      296.8104 -53.49191      110.2779 70.63230 32.24213 43.90509 19.88888 26.72721       37.88301 
1 1 1 10  35 7  o 168.1038 12.89068 848.9966       126.1181 696.2777       309.9392 879.3012       138.0653 140.8557 37.03517 170.7643 13.90624 -29.90857      39.55992 
1 1 1 10  35 8  o 90.48312 21.75385 262.9939       114.0115 0.000000       0.000000 262.9939       114.0115 ?        ?        90.48312 21.75385 0.000000       21.75385 
1 1 1 10  35 9  o 132.4307 17.14992 541.0238       130.0742 536.9075       305.5368 541.9350       143.7517 122.6777 38.29687 131.7619 19.16387 -9.084183      42.82410 
1 1 1 10  35 10 o 106.1979 22.82275 365.0666       137.9108 609.2386       272.5808 281.0592       159.8844 131.4831 34.80769 92.22846 27.49476 39.25466       44.35693 
1 1 1 10  35 11 o 110.9131 17.97406 385.3165       112.9194 978.3088       285.8994 275.7154       122.9125 170.7928 29.61552 91.91892 22.88837 78.87388       37.42936 
1 1 1 10  35 12 o 118.2473 33.71616 495.9914       245.2078 495.9914       245.2078 0.000000       0.000000 118.2473 33.71616 ?        ?        0.000000       33.71616 
1 1 1 10  35 13 o 215.9137 20.39572 1467.221       255.2068 1467.221       255.2068 0.000000       0.000000 215.9137 20.39572 ?        ?        0.000000       20.39572 
1 1 1 10  35 14 o 50.51737 23.99635 -191.3665      192.7617 -218.3741      225.7865 -118.7655      370.1913 54.45267 25.89571 76.08747 35.19482 -21.63480      43.69512 
1 1 1 10  35 15 o 65.99264 28.16748 47.91278       192.5483 327.0054       225.9431 -692.4794      368.0069 96.81705 33.10493 57.56005 28.56245 39.25700       43.72357 
1 1 1 10  35 16 o 52.05170 24.64635 -179.6508      200.2182 -54.93097      228.8489 -586.6437      413.4037 63.13178 28.61945 64.46914 31.66338 -1.337360      42.68071 
1 1 1 10  35 17 o 65.70910 28.33124 40.80248       198.4915 109.6687       228.5596 -170.5001      400.3581 74.55923 31.19521 75.51057 35.47628 -0.9513474     47.24095 
1 1 1 10  35 18 o 101.1365 32.26271 371.4372       215.7561 526.6921       246.4976 -137.1521      446.1425 118.8407 33.77814 80.01397 37.54705 38.82671       50.50489 
1 1 1 10  35 19 o 69.43989 28.89863 94.92484       194.6089 159.6980       223.0430 -111.6454      398.3133 77.82313 31.49589 76.74964 35.84040 1.073486       47.71295 
1 1 1 10  35 20 o 106.2416 30.42939 412.7191       199.2931 332.7109       234.7740 619.0518       377.0222 95.21378 33.67350 119.3151 42.62343 -24.10131      54.31999 
1 1 1 10  35 21 o 87.31456 30.58210 271.2206       193.3065 194.4834       220.3074 527.9799       402.9850 79.84390 31.64287 109.7940 43.01517 -29.95013      53.40015 
1 1 1 10  35 22 o 77.08134 29.41291 189.7496       184.7822 274.2108       206.3023 -152.9105      415.5345 87.32203 31.48854 74.60288 35.37765 12.71915       47.36145 
1 1 1 10  35 23 o 64.22335 28.01892 42.41520       198.8704 -21.85392      223.8848 282.7761       432.9675 62.65623 28.36528 93.27482 40.99966 -30.61859      49.85540 
1 1 1 10  35 24 o 70.47178 29.61333 113.2528       207.3439 180.1423       231.6906 -155.7785      464.6552 77.91441 31.88772 76.69527 36.66034 1.219131       48.58814 
1 1 1 10  35 25 o 100.8387 32.10274 400.5587       213.7087 510.4841       240.6478 -9.610806      464.8519 112.2913 33.79142 80.55965 37.96577 31.73169       50.82578 
1 1 1 10  35 26 o 54.94606 25.77180 -111.2323      209.7718 -169.3532      234.2875 123.6986       471.0352 55.29200 26.31863 84.74648 39.37267 -29.45448      47.35903 
1 1 1 10  35 27 o 56.53300 26.41612 -92.86285      216.9316 -75.62531      249.1488 -146.8849      441.0693 61.08488 28.46566 73.43021 35.26320 -12.34533      45.31872 
1 1 1 10  35 28 o 61.78325 27.77597 11.90644       210.3968 -120.7190      238.9816 468.9503       443.6392 57.59951 27.16865 97.98527 42.30210 -40.38576      50.27527 
1 1 1 10  35 29 o 72.10730 30.62428 141.5787       225.6288 183.2113       255.5011 -5.887689      480.8639 76.85461 32.61243 78.54980 37.47731 -1.695190      49.68017 
1 1 1 10  35 30 o 115.3693 32.17216 547.9666       225.8419 606.9042       264.1987 388.0374       435.2095 117.3628 35.42591 91.87837 40.71336 25.48443       53.96827 
1 1 1 10  35 31 o 62.34966 27.88385 33.33050       209.0114 111.4895       251.4972 -141.1866      375.8051 70.96924 31.21958 67.90951 32.59578 3.059731       45.13476 
1 1 1 10  36 0  o 141.3485 27.42448 657.4634       219.1390 166.6405       311.0143 1141.373       308.8162 89.11323 36.75851 186.0002 29.27634 -96.88694      46.99247 
1 1 1 10  36 1  o 63.52915 22.45897 114.0618       104.4283 -237.1529      305.8117 160.4222       111.1071 65.65777 30.89670 71.92866 23.17292 -6.270889      38.62111 
1 1 1 10  36 2  o 197.6618 19.23708 1209.302       220.1860 1306.091       306.6905 1106.344       316.3126 200.8446 26.69754 181.9345 30.73891 18.91011       40.71412 
1 1 1 10  36 3  o 70.91969 22.37382 157.0570       104.0112 -344.3856      289.3080 231.4905       111.4639 59.18500 28.45768 84.64134 22.18809 -25.45634      36.08533 
1 1 1 10  36 4  o 238.1288 10.44495 1689.955       145.5161 1774.582       313.3755 1666.691       164.3040 237.0864 22.81913 235.9126 11.91392 1.173813       25.74207 
1 1 1 10  36 5  o 202.6193 10.77933 1226.220       127.6313 1586.192       304.2343 1149.336       140.6022 223.3091 23.58606 195.5996 12.31928 27.70950       26.60953 
1 1 1 10  36 6  o 66.94984 22.07637 137.1262       100.5435 138.2890       279.6728 136.9536       107.7471 83.56263 34.69859 67.43244 22.86453 16.13019       41.55453 
1 1 1 10  36 7  o 71.05402 23.36105 156.8703       112.6160 61.41581       279.8284 175.3183       123.0180 77.85186 33.60320 74.64970 24.40899 3.202164       41.53280 
1 1 1 10  36 8  o 254.9427 19.82650 2028.495       294.1126 2028.495       294.1126 0.000000       0.000000 254.9427 19.82650 ?        ?        0.000000       19.82650 
1 1 1 10  36 9  o 155.8249 14.33596 740.5934       129.5455 1196.748       299.1869 635.3392       143.7163 189.6008 27.72575 142.8760 17.51735 46.72487       32.79596 
1 1 1 10  36 10 o 123.5285 22.28271 495.0870       155.4924 0.000000       0.000000 495.0870       155.4924 ?        ?        123.5285 22.28271 0.000000       22.28271 
1 1 1 10  36 11 o 43.79690 19.80736 -44.88940      108.8420 44.36686       243.9561 -67.07162      121.6172 71.88728 31.20131 44.73170 20.50170 27.15557       37.33419 
1 1 1 10  36 12 o 171.9010 24.29428 969.1750       238.1060 969.1750       238.1060 0.000000       0.000000 171.9010 24.29428 ?        ?        0.000000       24.29428 
1 1 1 10  36 13 o 120.3623 31.66765 520.4120       226.5139 520.4120       226.5139 0.000000       0.000000 120.3623 31.66765 ?        ?        0.000000       31.66765 
1 1 1 10  36 14 o 95.26268 30.59525 319.6435       193.7846 225.5033       221.4503 627.3792       400.3848 84.79866 32.23712 122.2816 43.89589 -37.48290      54.46173 
1 1 1 10  36 15 o 83.41867 29.87232 229.3271       185.3023 383.7398       214.8040 -219.8544      366.3633 102.7719 32.11517 70.35480 33.32065 32.41712       46.27796 
1 1 1 10  36 16 f 183.2511 23.91151 1110.225       250.8591 1110.225       250.8591 0.000000       0.000000 183.2511 23.91151 ?        ?        0.000000       23.91151 
1 1 1 10  36 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  36 18 o 72.99171 30.04221 126.5954       207.1390 -84.86220      239.2939 758.6331       413.7057 61.66594 28.44303 128.7514 44.76284 -67.08546      53.03506 
1 1 1 10  36 19 o 46.79458 22.76004 -274.9589      198.8625 -179.0588      240.2739 -483.5066      354.3235 56.79460 26.92363 59.53634 29.25530 -2.741741      39.75871 
1 1 1 10  36 20 o 114.1317 29.04009 476.5985       194.8264 382.2046       235.1416 683.2955       347.9562 99.31609 33.77597 124.1563 41.07431 -24.84021      53.17814 
1 1 1 10  36 21 o 60.95895 26.85627 18.69204       186.7598 -86.07414      216.8679 319.3857       367.4064 58.01127 26.87002 93.71700 39.40292 -35.70573      47.69265 
1 1 1 10  36 22 o 55.00933 25.38402 -73.21540      190.8957 -45.54610      218.6809 -161.8168      391.3202 60.30017 27.58238 71.53481 34.03982 -11.23463      43.81207 
1 1 1 10  36 23 o 76.69675 30.78144 184.0427       211.1032 11.19811       239.7836 779.6947       445.1310 65.71637 29.58902 121.4345 45.80922 -55.71809      54.53435 
1 1 1 10  36 24 o 41.83356 20.90456 -469.3604      211.9426 -620.6702      240.8181 50.52084       446.3830 42.15564 21.23181 81.11492 37.89945 -38.95928      43.44144 
1 1 1 10  36 25 o 99.57358 32.82922 404.1239       222.3438 290.4958       253.5780 782.0179       462.4382 86.76149 34.08289 117.3637 46.04985 -30.60220      57.29078 
1 1 1 10  36 26 o 120.9930 31.60500 581.7322       226.6816 647.0248       259.8176 373.6113       463.8677 124.4321 34.43539 93.36510 41.66190 31.06701       54.05100 
1 1 1 10  36 27 o 75.00150 31.02358 176.1591       222.3711 182.7362       250.9730 152.1364       479.6446 76.86463 32.45550 84.06411 39.28025 -7.199478      50.95388 
1 1 1 10  36 28 o 57.79268 26.76100 -53.57358      214.8785 -110.1012      250.1259 105.6702       419.8166 58.80422 27.75454 79.39053 36.98088 -20.58630      46.23742 
1 1 1 10  36 29 o 102.8065 32.71948 446.9368       222.0126 234.9337       261.7355 990.7336       419.1890 80.33701 33.48027 132.9749 45.09864 -52.63790      56.16774 
1 1 1 10  36 30 o 54.47580 26.01675 -157.6125      232.9330 -337.9004      290.6183 166.2818       389.5305 54.36826 26.67106 79.97567 36.66847 -25.60741      45.34228 
1 1 1 10  37 0  o 174.6571 12.69261 921.8353       129.1260 682.3198       301.2718 975.7360       142.9186 135.9099 36.86946 179.2858 13.69595 -43.37587      39.33111 
1 1 1 10  37 1  o 266.3361 15.16245 2162.463       235.8588 2045.987       328.4752 2286.432       338.8774 253.5175 22.32013 268.6570 21.69201 -15.13945      31.12445 
1 1 1 10  37 2  o 63.60952 22.20471 119.1876       101.8550 47.26395       279.1720 130.2317       109.3959 76.14880 33.20989 66.10056 23.01601 10.04824       40.40586 
1 1 1 10  37 3  o 99.19226 18.42601 312.6297       103.2464 221.0069       274.4317 327.7363       111.4333 88.68004 35.26109 101.1947 19.48305 -12.51468      40.28565 
1 1 1 10  37 4  o 82.56763 21.79240 223.2341       107.0512 664.1829       275.1522 144.5828       116.2069 135.3092 34.55554 68.87467 23.73506 66.43455       41.92181 
1 1 1 10  37 5  o 77.21664 22.22108 194.7367       106.0361 781.1768       283.4294 99.29781       114.3393 147.7462 33.48625 61.68360 23.22842 86.06255       40.75400 
1 1 1 10  37 6  o 103.8441 18.28257 342.4512       107.2797 871.9330       289.6973 258.3012       115.4904 156.9147 32.54797 88.51740 22.26936 68.39726       39.43722 
1 1 1 10  37 7  o 175.5584 11.75940 929.5305       120.3776 1113.853       300.8523 894.3960       131.3503 180.3224 29.46469 171.6009 13.15175 8.721497       32.26665 
1 1 1 10  37 8  o 165.1682 13.55206 831.2638       130.1216 992.0273       282.6414 788.0265       146.5789 169.7875 29.45161 159.6889 15.86056 10.09865       33.45078 
1 1 1 10  37 9  o 90.52573 34.86829 262.3118       261.3331 262.3118       261.3331 0.000000       0.000000 90.52573 34.86829 ?        ?        0.000000       34.86829 
1 1 1 10  37 10 o 161.6858 14.69731 803.5605       137.8457 1051.703       273.5637 719.1149       159.5865 176.1040 27.37634 150.9453 18.40736 25.15869       32.98932 
1 1 1 10  37 11 o 85.46996 23.55534 245.3227       121.8543 98.91940       235.6719 298.7441       142.3606 74.24422 31.40480 93.56113 25.32892 -19.31690      40.34620 
1 1 1 10  37 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  37 13 o 67.86430 30.25652 1.164524       244.1020 1.164524       244.1020 0.000000       0.000000 67.86430 30.25652 ?        ?        0.000000       30.25652 
1 1 1 10  37 14 o 74.47429 31.47526 109.1312       236.3983 109.1312       236.3983 0.000000       0.000000 74.47429 31.47526 ?        ?        0.000000       31.47526 
1 1 1 10  37 15 o 84.06773 31.04804 237.5366       202.3324 231.2375       245.4152 250.9049       357.5186 85.12566 33.50267 91.45976 38.68335 -6.334106      51.17451 
1 1 1 10  37 16 o 133.4478 28.09781 631.3107       212.9413 575.7659       258.7827 747.7818       374.7336 121.5864 34.62656 129.7520 42.61177 -8.165520      54.90685 
1 1 1 10  37 17 o 83.80788 31.34940 241.7613       207.5244 171.6854       245.0442 419.4916       390.2483 78.91636 32.59758 101.4990 41.44398 -22.58267      52.72765 
1 1 1 10  37 18 o 137.4635 28.25795 678.0554       220.1959 607.9476       261.2739 849.9277       409.0873 123.8479 34.62873 133.6518 44.54660 -9.803978      56.42295 
1 1 1 10  37 19 o 54.30352 25.70471 -158.1089      217.4662 -2.772769      260.6328 -514.0598      394.5372 67.58916 30.60101 61.96623 30.53147 5.622929       43.22722 
1 1 1 10  37 20 o 124.7842 30.23610 584.5112       218.9276 687.3942       265.1175 363.9584       388.1707 131.5883 34.08376 95.79535 40.40154 35.79300       52.85818 
1 1 1 10  37 21 o 42.14888 20.97894 -423.7430      204.6191 -402.4121      238.6657 -482.9189      397.5193 47.57891 23.49975 62.28107 30.67889 -14.70216      38.64495 
1 1 1 10  37 22 o 79.64972 31.00289 219.9389       208.2331 346.2203       240.9916 -152.1545      413.6739 92.88361 33.95470 72.28445 34.56251 20.59915       48.45090 
1 1 1 10  37 23 f 72.33219 29.78141 150.2902       203.6538 19.20541       234.9215 546.7490       408.5503 65.04622 29.28737 104.4153 42.49105 -39.36903      51.60659 
1 1 1 10  37 24 o 175.7339 21.20329 1040.888       214.1175 1036.346       243.4585 1056.401       449.8912 171.2852 24.96990 138.0903 46.72188 33.19496       52.97575 
1 1 1 10  37 25 o 70.26833 29.30504 135.5910       200.7343 193.8177       226.8249 -74.73219      431.0948 76.78603 31.50263 74.44067 35.50795 2.345360       47.46820 
1 1 1 10  37 26 o 50.95748 24.57039 -208.8062      219.2521 -123.0791      257.8250 -432.7483      416.7096 59.10414 27.98047 63.21928 31.19228 -4.115147      41.90305 
1 1 1 10  37 27 o 61.21455 28.09847 -18.19926      229.6120 27.50258       285.5583 -101.7982      386.2143 68.45278 31.38914 69.92532 33.42395 -1.472534      45.85235 
1 1 1 10  37 28 o 54.06120 25.65189 -131.9574      219.1066 -138.9485      287.3500 -122.2467      338.6609 60.95818 29.05256 65.82682 31.41925 -4.868641      42.79276 
1 1 1 10  37 29 o 118.5655 30.93605 572.1451       217.3488 647.1657       274.1552 445.2135       356.6082 119.0266 36.12114 94.29603 39.17080 24.73059       53.28310 
1 1 1 10  38 0  o 114.6630 18.00787 416.7931       117.1113 329.2404       286.9883 434.2853       128.2778 97.32211 36.76712 116.3844 19.48137 -19.06232      41.60943 
1 1 1 10  38 1  o 130.8878 15.87364 532.5341       119.3627 207.0796       286.4554 600.9156       131.3050 86.90270 35.49855 138.8591 16.44204 -51.95644      39.12144 
1 1 1 10  38 2  o 216.5780 10.95672 1409.896       138.7178 1652.203       297.8423 1342.777       156.7573 225.7505 22.80860 210.4336 12.76170 15.31693       26.13605 
1 1 1 10  38 3  o 166.5460 13.03794 844.1942       126.3341 992.7486       285.0352 807.8767       140.9332 168.8709 29.87289 161.9518 15.00879 6.919083       33.43133 
1 1 1 10  38 4  o 71.97517 22.52656 168.3869       105.6420 -399.3295      279.6665 262.8768       114.0952 54.57842 26.64426 89.01427 21.98649 -34.43586      34.54450 
1 1 1 10  38 5  o 160.2302 12.85507 781.4315       119.7879 542.9116       307.1935 824.2035       130.0856 117.5323 38.58012 164.2153 13.62989 -46.68301      40.91698 
1 1 1 10  38 6  o 104.3413 18.73247 349.4741       110.4185 486.3369       289.1945 326.1169       119.4697 112.1263 37.45609 99.62959 21.10389 12.49675       42.99224 
1 1 1 10  38 7  o 166.5879 12.33549 842.5836       119.6625 980.8096       290.7401 814.3931       131.2991 166.2898 30.95053 163.0364 13.86312 3.253387       33.91344 
1 1 1 10  38 8  o 84.13961 22.75099 237.2482       114.9393 -3.579103      267.4554 291.8008       127.2935 70.15378 31.44552 93.05219 23.36252 -22.89841      39.17433 
1 1 1 10  38 9  o 104.8400 19.44610 355.9214       115.1652 576.9695       261.7300 302.8477       128.2477 123.2304 34.73157 94.79252 23.24874 28.43791       41.79457 
1 1 1 10  38 10 o 83.15650 23.54420 233.7177       119.9932 91.32541       227.0780 288.8814       141.3379 72.25957 30.70700 91.57159 25.41956 -19.31202      39.86319 
1 1 1 10  38 11 o 135.5629 16.48627 577.3741       128.3814 445.3296       234.0674 634.1888       153.5363 108.4999 33.46265 140.6223 19.11096 -32.12242      38.53541 
1 1 1 10  38 12 o 70.84041 30.82958 62.77351       239.5104 62.77351       239.5104 0.000000       0.000000 70.84041 30.82958 ?        ?        0.000000       30.82958 
1 1 1 10  38 13 o 92.81348 34.51429 316.2107       250.8125 316.2107       250.8125 0.000000       0.000000 92.81348 34.51429 ?        ?        0.000000       34.51429 
1 1 1 10  38 14 o 76.42158 32.78524 123.2475       263.2855 123.2475       263.2855 0.000000       0.000000 76.42158 32.78524 ?        ?        0.000000       32.78524 
1 1 1 10  38 15 o 122.2750 30.11076 554.1008       214.4747 497.4299       264.5434 662.7920       366.3647 110.7368 35.76396 120.5362 42.11006 -9.799416      55.24778 
1 1 1 10  38 16 o 91.60548 31.89919 314.7907       210.1381 283.3626       257.9642 376.7808       362.2939 88.56515 34.49738 97.36638 39.86485 -8.801231      52.71884 
1 1 1 10  38 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  38 18 o 79.12901 32.09616 196.7422       232.2194 76.50033       288.7322 416.9883       390.7703 74.04731 32.96652 98.80516 41.02060 -24.75785      52.62586 
1 1 1 10  38 19 o 89.46985 32.74622 308.6844       224.2448 315.0573       274.6651 295.9448       388.3399 90.08536 35.44654 90.59097 39.34237 -0.5056076     52.95545 
1 1 1 10  38 20 o 69.22737 30.10973 87.02497       228.1724 32.30290       265.3106 242.4767       447.1684 68.79496 31.03633 88.61131 40.10430 -19.81635      50.71103 
1 1 1 10  38 21 f 66.54957 29.13194 67.97529       216.5710 78.02975       254.2395 41.38430       413.4576 70.35859 31.15065 78.42333 36.58673 -8.064743      48.05155 
1 1 1 10  38 22 o 91.47691 32.16685 336.9755       214.0014 444.1347       251.0547 52.18178       409.2784 101.6764 34.89228 78.04390 36.40694 23.63253       50.42753 
1 1 1 10  38 23 o 62.72272 27.91093 33.84017       206.7040 -22.91936      237.8327 209.0938       417.9129 62.32548 28.60421 84.51579 38.45537 -22.19032      47.92720 
1 1 1 10  38 24 o 112.0433 31.08725 505.1082       211.4477 732.3093       248.5451 -90.17234      402.3099 135.2249 31.86581 71.72871 34.23857 63.49616       46.77296 
1 1 1 10  38 25 o 67.86102 28.69106 119.1867       196.5475 83.38526       248.6034 178.8708       320.9859 68.94800 30.64947 78.53588 34.87398 -9.587883      46.42827 
1 1 1 10  38 26 o 92.21574 31.51477 351.7513       204.7529 518.8884       273.9323 140.1560       308.2192 105.8443 36.44286 75.60605 33.83305 30.23823       49.72683 
1 1 1 10  38 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  39 0  o 67.33005 23.51712 140.8337       114.2606 227.5369       303.4854 126.5139       123.3358 88.11674 36.32549 65.83703 24.25377 22.27971       43.67822 
1 1 1 10  39 1  f 106.9363 21.17643 376.5778       128.1095 0.000000       0.000000 376.5778       128.1095 ?        ?        106.9363 21.17643 0.000000       21.17643 
1 1 1 10  39 2  o 45.90529 20.15274 -8.859080      104.3092 112.7994       265.6965 -31.02620      113.4147 77.24142 33.03153 45.65162 20.46880 31.58980       38.85941 
1 1 1 10  39 3  o 151.1198 13.93727 702.3384       122.1328 499.0663       268.4216 755.4084       137.1524 113.2945 35.96775 156.1120 15.17127 -42.81749      39.03647 
1 1 1 10  39 4  o 56.77968 21.69250 82.27954       100.5876 -70.28662      294.1965 102.4754       107.0384 68.87653 31.68511 60.62450 22.54670 8.252033       38.88830 
1 1 1 10  39 5  o 66.79411 22.11291 142.7425       100.8448 468.7574       281.0676 94.57317       108.0382 109.0950 36.92927 59.49879 22.54051 49.59622       43.26483 
1 1 1 10  39 6  o 150.4811 13.57061 695.8214       118.4800 1174.668       277.3164 588.9001       131.0417 185.5908 26.20667 136.7603 16.68287 48.83047       31.06618 
1 1 1 10  39 7  o 131.8715 17.13955 550.6014       129.4232 932.0775       282.0326 448.8391       145.6663 160.3430 31.11411 116.0479 22.21164 44.29515       38.22884 
1 1 1 10  39 8  o 134.5288 16.19921 569.0669       125.2394 582.3917       252.7676 564.7314       144.1815 123.0504 33.93098 132.3199 19.13440 -9.269501      38.95429 
1 1 1 10  39 9  o 63.23908 23.37551 117.0490       114.7311 -24.13204      238.7176 159.4560       130.8323 64.72393 29.29674 70.65183 25.12265 -5.927902      38.59335 
1 1 1 10  39 10 o 58.71521 23.64868 76.24014       125.0776 622.8665       246.9580 -112.3553      145.0585 127.7090 32.80207 45.48415 21.36457 82.22482       39.14615 
1 1 1 10  39 11 o 161.9331 13.91216 811.0194       130.8444 668.9744       236.3722 873.7742       157.1111 134.3008 30.68360 166.5594 16.29185 -32.25865      34.74058 
1 1 1 10  39 12 o 76.65031 32.04237 152.9434       240.8288 152.9434       240.8288 0.000000       0.000000 76.65031 32.04237 ?        ?        0.000000       32.04237 
1 1 1 10  39 13 o 57.08876 27.15690 -185.5486      248.6626 -185.5486      248.6626 0.000000       0.000000 57.08876 27.15690 ?        ?        0.000000       27.15690 
1 1 1 10  39 14 o 87.96514 33.62411 284.9906       241.7537 284.9906       241.7537 0.000000       0.000000 87.96514 33.62411 ?        ?        0.000000       33.62411 
1 1 1 10  39 15 o 70.62354 31.26242 62.99557       255.9566 62.99557       255.9566 0.000000       0.000000 70.62354 31.26242 ?        ?        0.000000       31.26242 
1 1 1 10  39 16 o 61.42242 28.78598 -108.3276      260.8028 -108.3276      260.8028 0.000000       0.000000 61.42242 28.78598 ?        ?        0.000000       28.78598 
1 1 1 10  39 17 o 85.41754 37.66262 220.6902       367.9991 0.000000       0.000000 220.6902       367.9991 ?        ?        85.41754 37.66262 0.000000       37.66262 
1 1 1 10  39 18 o 67.47939 31.22557 -31.71679      291.8303 -31.71679      291.8303 0.000000       0.000000 67.47939 31.22557 ?        ?        0.000000       31.22557 
1 1 1 10  39 19 o 78.50074 31.66643 209.7079       224.6440 463.5048       289.2108 -176.3267      356.6847 101.7811 37.19851 66.61735 31.91738 35.16373       49.01477 
1 1 1 10  39 20 o 84.88904 32.54219 279.3983       226.8814 530.3290       272.6830 -285.1221      408.9978 109.1888 36.36877 66.89465 32.55991 42.29411       48.81429 
1 1 1 10  39 21 o 82.50374 32.15103 257.9563       224.1478 411.0426       259.5959 -190.5788      444.3528 97.18347 35.28399 71.54373 34.61437 25.63974       49.42788 
1 1 1 10  39 22 o 120.3352 29.96364 567.4699       210.6498 783.3397       253.7247 88.59574       377.9006 140.3251 31.59361 77.02743 35.60485 63.29765       47.60107 
1 1 1 10  39 23 o 58.07961 26.44126 -13.06500      197.9193 175.2014       246.6448 -353.5189      331.6765 75.15318 31.97206 57.98035 28.45317 17.17283       42.79948 
1 1 1 10  39 24 o 66.97297 28.29404 115.7335       190.9069 31.59924       249.9933 233.4365       295.6895 65.69561 29.83339 80.74532 34.69386 -15.04971      45.75691 
1 1 1 10  39 25 o 58.85981 26.33962 19.70542       186.8154 15.88537       247.8291 24.73271       284.3048 64.49033 29.44739 67.79752 31.17381 -3.307190      42.88304 
1 1 1 10  40 0  o 156.3492 15.37422 763.6339       139.1526 579.2759       320.4095 806.4894       154.4818 116.4825 39.42921 159.8341 16.72744 -43.35156      42.83071 
1 1 1 10  40 1  o 125.4388 17.84875 504.2933       127.6067 -93.47327      311.5905 624.7523       139.8744 68.45793 31.87869 140.0933 17.39807 -71.63536      36.31726 
1 1 1 10  40 2  o 102.5532 20.00891 347.0060       116.0212 533.1761       286.2340 310.4052       126.9147 113.7521 37.23515 95.28878 22.97894 18.46335       43.75486 
1 1 1 10  40 3  o 50.85278 21.45093 30.46240       109.4574 -218.1437      282.4580 74.39252       118.7351 60.06578 28.67623 57.62578 23.09963 2.439995       36.82280 
1 1 1 10  40 4  o 54.87235 21.87855 67.06975       105.9372 60.25224       294.8059 68.08062       113.5198 74.57497 33.24942 56.06993 22.54835 18.50504       40.17402 
1 1 1 10  40 5  o 44.89796 19.89946 -14.45148      104.0235 19.80231       275.9985 -20.12298      112.3056 70.55728 31.75884 46.03200 20.52277 24.52528       37.81281 
1 1 1 10  40 6  o 56.54706 22.52075 73.76926       112.1225 313.6452       285.8032 30.13590       121.8942 91.81038 36.14809 52.79099 22.46812 39.01939       42.56173 
1 1 1 10  40 7  o 60.93800 23.72757 98.20056       122.0024 -18.21707      253.5065 133.2916       139.1803 66.02615 30.00659 67.12768 25.54794 -1.101524      39.40930 
1 1 1 10  40 8  o 67.83011 23.60212 149.1905       115.0282 87.35664       243.4474 166.9629       130.5163 71.71093 31.14643 71.23888 25.11485 0.4720535      40.01070 
1 1 1 10  40 9  o 49.55885 21.72963 1.052924       120.9317 77.68885       239.9675 -25.03559      140.0106 70.63453 30.79769 50.56358 22.70118 20.07095       38.26018 
1 1 1 10  40 10 o 123.6958 19.46289 501.9736       136.5334 1045.803       248.2751 266.2081       163.4715 173.9580 25.05712 85.68260 28.14450 88.27544       37.68252 
1 1 1 10  40 11 o 72.11698 23.88447 176.5647       117.6470 139.0914       235.1369 189.0780       135.8773 74.46100 31.42639 74.38569 25.66406 0.7530975E-01  40.57415 
1 1 1 10  40 12 o 94.59857 34.92484 358.6485       255.9759 358.6485       255.9759 0.000000       0.000000 94.59857 34.92484 ?        ?        0.000000       34.92484 
1 1 1 10  40 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  40 14 o 86.69213 34.80136 281.8188       269.9101 281.8188       269.9101 0.000000       0.000000 86.69213 34.80136 ?        ?        0.000000       34.80136 
1 1 1 10  40 15 o 74.55254 32.59806 123.6965       270.4931 123.6965       270.4931 0.000000       0.000000 74.55254 32.59806 ?        ?        0.000000       32.59806 
1 1 1 10  40 16 o 71.21326 31.77874 75.37675       269.9260 75.37675       269.9260 0.000000       0.000000 71.21326 31.77874 ?        ?        0.000000       31.77874 
1 1 1 10  40 17 o 55.92523 26.35894 -117.7038      224.1771 62.19242       279.4688 -442.3564      375.4325 70.77100 31.89741 60.22654 29.69508 10.54447       43.58030 
1 1 1 10  40 18 o 79.48510 32.15693 223.5049       232.4090 306.6115       273.3131 6.503059       441.6459 87.28163 35.02624 77.49433 36.66707 9.787300       50.70810 
1 1 1 10  40 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  40 20 o 55.06109 25.97694 -113.1774      218.6919 -271.0068      264.2304 230.0623       389.6617 53.91977 26.22784 83.58502 37.66943 -29.66525      45.90083 
1 1 1 10  40 21 o 46.57993 22.80748 -282.9073      209.4773 -407.8452      254.4638 -20.22883      368.9698 48.38473 23.96403 71.51434 33.74005 -23.12960      41.38437 
1 1 1 10  40 22 o 117.5265 29.44751 543.9688       202.5343 742.5182       254.6770 202.3389       334.0668 134.0434 32.69319 79.81934 35.50288 54.22403       48.26281 
1 1 1 10  40 23 o 66.06125 28.33921 101.9717       196.7007 -113.5846      251.2755 443.1058       316.1057 58.27366 27.59780 95.66663 37.90660 -37.39297      46.88869 
1 1 1 10  40 24 o 65.75963 28.30829 101.8594       197.5672 354.9621       262.7501 -227.3976      299.6830 89.12064 34.78664 58.26615 28.24655 30.85448       44.81047 
1 1 1 10  41 0  o 152.5869 18.66105 754.1750       163.5240 0.000000       0.000000 754.1750       163.5240 ?        ?        152.5869 18.66105 0.000000       18.66105 
1 1 1 10  41 1  o 138.3354 17.35774 613.4510       137.7320 278.5413       312.7393 694.0397       153.4108 88.71139 36.75176 146.6188 18.23370 -57.90737      41.02633 
1 1 1 10  41 2  o 155.8425 15.16434 761.9415       136.8484 815.1429       289.5550 746.6403       155.2857 142.8700 34.86864 152.5136 17.68856 -9.643600      39.09869 
1 1 1 10  41 3  o 106.7919 20.79448 382.3512       125.5520 63.52549       308.2205 445.7783       137.4745 74.78937 33.62128 115.3045 21.10701 -40.51517      39.69756 
1 1 1 10  41 4  o 87.08455 22.26701 261.1936       114.1547 107.4037       276.8246 292.7040       125.3048 75.08477 32.90034 91.71264 23.26438 -16.62787      40.29471 
1 1 1 10  41 5  o 118.2547 18.17054 454.5195       121.9935 996.6268       298.5761 345.8838       133.6591 160.9703 32.74301 99.81970 23.26355 61.15063       40.16587 
1 1 1 10  41 6  o 80.94696 25.51093 232.4765       135.2563 173.0960       263.2512 253.7740       157.6570 78.56102 33.20926 83.67863 27.64665 -5.117615      43.21102 
1 1 1 10  41 7  o 77.40344 25.10655 210.0981       130.2858 396.2172       254.7876 144.2010       151.6059 98.30911 35.04803 68.85045 26.54770 29.45866       43.96754 
1 1 1 10  41 8  o 50.59519 21.93583 15.29412       120.3096 292.2383       257.6497 -61.92962      136.0532 87.92706 34.41046 46.75392 21.52231 41.17313       40.58681 
1 1 1 10  41 9  o 48.65897 21.61795 -9.783014      123.4981 399.7759       257.9024 -131.6379      140.6756 98.01995 35.22466 43.02428 20.45495 54.99567       40.73306 
1 1 1 10  41 10 f 46.70723 21.20907 -37.68626      126.3219 -162.8223      242.9302 8.689126       147.8884 56.55206 26.88460 54.13001 23.87106 2.422050       35.95288 
1 1 1 10  41 11 o 45.89035 20.71988 -29.40289      118.5254 -117.6957      258.6937 -5.944172      133.3446 60.21757 28.36155 50.53458 22.45654 9.682987       36.17559 
1 1 1 10  41 12 f 72.57395 31.86292 106.3750       260.7962 106.3750       260.7962 0.000000       0.000000 72.57395 31.86292 ?        ?        0.000000       31.86292 
1 1 1 10  41 13 o 80.91438 33.98618 220.4515       272.9084 220.4515       272.9084 0.000000       0.000000 80.91438 33.98618 ?        ?        0.000000       33.98618 
1 1 1 10  41 14 o 77.88461 33.95918 170.6735       291.7694 170.6735       291.7694 0.000000       0.000000 77.88461 33.95918 ?        ?        0.000000       33.95918 
1 1 1 10  41 15 f 60.58389 29.15735 -209.6359      305.3517 -209.6359      305.3517 0.000000       0.000000 60.58389 29.15735 ?        ?        0.000000       29.15735 
1 1 1 10  41 16 o 104.7433 37.10339 504.9314       285.1320 504.9314       285.1320 0.000000       0.000000 104.7433 37.10339 ?        ?        0.000000       37.10339 
1 1 1 10  41 17 o 74.54373 30.58483 181.7241       213.8197 118.9147       253.7578 335.4965       397.0511 71.83069 31.48644 89.12482 39.21582 -17.29413      50.29191 
1 1 1 10  41 18 o 120.7338 32.38979 603.3937       234.0754 675.4261       270.0291 385.6357       469.4981 123.9106 35.39795 91.15266 41.18944 32.75791       54.31008 
1 1 1 10  41 19 o 49.62272 24.39484 -334.8319      247.2615 -334.8319      247.2615 0.000000       0.000000 49.62272 24.39484 ?        ?        0.000000       24.39484 
1 1 1 10  41 20 o 45.93330 22.60383 -316.7938      214.0350 -380.1481      235.0410 -9.125695      517.9603 46.69243 23.10894 78.14524 37.70088 -31.45281      44.21967 
1 1 1 10  41 21 o 60.35196 27.76923 -19.18565      226.1329 -19.18565      226.1329 0.000000       0.000000 60.35196 27.76923 ?        ?        0.000000       27.76923 
1 1 1 10  42 0  o 119.7501 20.90768 483.8797       141.4963 222.6775       331.8073 541.9379       156.4333 83.78776 36.37716 126.0526 21.95809 -42.26486      42.49065 
1 1 1 10  42 1  o 75.17847 25.95839 198.4677       139.0221 -88.78866      315.6334 267.6088       154.8518 66.94142 31.46580 85.11626 27.35097 -18.17484      41.69139 
1 1 1 10  42 2  o 176.3673 14.81898 977.5188       151.8643 847.9404       324.0127 1013.998       171.9170 138.5920 38.49333 178.1176 16.65036 -39.52557      41.94009 
1 1 1 10  42 3  o 119.1552 20.48974 477.0703       138.0247 628.5660       323.6138 443.3835       152.6007 115.9323 39.61984 112.2493 23.91308 3.683006       46.27707 
1 1 1 10  42 4  o 63.60259 24.11776 122.5514       123.7560 177.2126       280.3948 109.3272       137.9160 78.61111 33.78088 63.07516 25.02374 15.53596       42.03969 
1 1 1 10  42 5  o 162.6570 16.25664 844.4302       153.0041 1274.467       302.0063 695.9398       177.4647 185.9289 28.61208 143.0744 21.84054 42.85449       35.99528 
1 1 1 10  42 6  o 62.76754 25.15865 105.3746       140.8336 87.90279       265.8480 112.1908       166.0475 71.68274 31.78932 65.74023 26.96037 5.942505       41.68240 
1 1 1 10  42 7  o 124.8930 20.69515 526.2301       146.2816 941.5735       281.8636 373.1237       171.1323 155.0737 32.05206 99.18386 28.12908 55.88984       42.64481 
1 1 1 10  42 8  o 73.95625 25.86741 192.4493       138.2688 193.7504       272.0489 191.9961       160.5519 78.90918 33.57440 74.34720 27.62049 4.561981       43.47564 
1 1 1 10  42 9  o 54.85147 23.39239 43.56724       132.5997 -102.1100      261.9749 93.74331       153.7490 60.80144 28.60684 62.48042 25.81581 -1.678978      38.53320 
1 1 1 10  42 10 o 78.35458 26.23690 224.1341       141.8845 99.02826       275.8127 269.1549       165.4559 72.41806 32.23211 84.20139 28.33400 -11.78333      42.91532 
1 1 1 10  42 11 o 77.72965 24.79840 218.3271       127.4677 92.67581       277.2962 251.9916       143.5311 72.01148 32.16719 82.43965 26.31607 -10.42817      41.56037 
1 1 1 10  42 12 o 57.17848 27.66434 -242.4414      283.8403 -242.4414      283.8403 0.000000       0.000000 57.17848 27.66434 ?        ?        0.000000       27.66434 
1 1 1 10  42 13 o 67.30858 31.06095 -1.134666      285.8755 -1.134666      285.8755 0.000000       0.000000 67.30858 31.06095 ?        ?        0.000000       31.06095 
1 1 1 10  42 14 o 87.38107 35.80225 320.2257       292.4778 320.2257       292.4778 0.000000       0.000000 87.38107 35.80225 ?        ?        0.000000       35.80225 
1 1 1 10  42 15 o 102.2577 37.90512 505.5389       302.0665 505.5389       302.0665 0.000000       0.000000 102.2577 37.90512 ?        ?        0.000000       37.90512 
1 1 1 10  42 16 o 52.83827 25.79743 -287.4668      262.3679 -287.4668      262.3679 0.000000       0.000000 52.83827 25.79743 ?        ?        0.000000       25.79743 
1 1 1 10  42 17 o 94.90118 34.72211 404.1837       252.0896 404.1837       252.0896 0.000000       0.000000 94.90118 34.72211 ?        ?        0.000000       34.72211 
1 1 1 10  42 18 o 76.28249 31.17918 207.5497       221.1508 261.5879       275.2514 109.1391       371.4499 81.82160 34.23369 76.28469 35.27497 5.536911       49.15556 
1 1 1 10  42 19 o 55.55172 26.28298 -109.9510      226.8474 -92.94982      270.6885 -150.0598      415.7674 60.72702 28.72532 69.04987 33.42574 -8.322842      44.07294 
1 1 1 10  43 0  o 68.80112 26.28466 154.8880       147.6808 526.9962       330.5809 62.11162       165.0676 103.8382 39.40790 60.38317 25.93299 43.45504       47.17523 
1 1 1 10  43 1  o 57.50039 24.47903 56.06391       144.7575 -326.9664      309.7779 163.0703       163.7340 57.07483 27.90147 70.57114 27.48508 -13.49631      39.16531 
1 1 1 10  43 2  o 97.14861 25.94927 350.0663       150.6453 23.76429       321.8537 441.6050       170.4712 71.21998 32.89854 108.6603 26.89611 -37.44037      42.49371 
1 1 1 10  43 3  o 59.90905 24.36989 89.86591       134.3240 55.83126       306.1096 97.98228       149.4848 71.71230 32.73825 62.28729 25.56637 9.425003       41.53832 
1 1 1 10  43 4  o 104.6426 22.35923 383.4888       133.0540 467.4084       318.4414 365.7393       146.4505 99.23215 38.41825 100.0524 25.02439 -0.8202515     45.84956 
1 1 1 10  43 5  o 112.1949 20.33959 427.6447       128.9070 711.4731       279.8304 351.1894       145.2348 127.5532 35.89934 97.85646 25.16576 29.69672       43.84151 
1 1 1 10  43 6  o 68.43807 26.35473 152.0730       149.2729 176.5315       289.5927 143.2231       174.1980 77.58179 33.82962 68.88248 27.84990 8.699318       43.81849 
1 1 1 10  43 7  o 120.7702 23.88879 518.7841       163.2062 402.5620       271.9409 584.2112       204.0371 95.13545 35.82336 123.5147 28.71337 -28.37921      45.91046 
1 1 1 10  43 8  o 106.3406 25.05841 412.8277       153.6999 594.0449       281.3802 335.7633       183.4934 113.8328 36.89445 91.91529 29.79394 21.91750       47.42234 
1 1 1 10  43 9  o 49.63932 22.29770 -14.31081      135.2710 -130.0684      283.8830 19.69326       153.8616 61.17499 29.07664 55.17543 24.33955 5.999565       37.91919 
1 1 1 10  43 10 o 48.61164 22.20317 -38.22171      141.0218 -169.1014      282.2603 5.315575       162.7962 59.32092 28.41390 55.08419 24.62352 4.236729       37.59877 
1 1 1 10  43 11 o 55.34729 23.58591 50.61996       134.6220 -50.63443      296.6465 76.88135       151.0745 65.27959 30.62772 59.86615 25.22419 5.413445       39.67767 
1 1 1 10  43 12 o 77.54989 34.49297 176.9870       315.3203 176.9870       315.3203 0.000000       0.000000 77.54989 34.49297 ?        ?        0.000000       34.49297 
1 1 1 10  43 13 f 78.92344 34.80141 203.6870       314.2561 203.6870       314.2561 0.000000       0.000000 78.92344 34.80141 ?        ?        0.000000       34.80141 
1 1 1 10  43 14 o 65.29237 30.73427 -53.15945      303.0215 -53.15945      303.0215 0.000000       0.000000 65.29237 30.73427 ?        ?        0.000000       30.73427 
1 1 1 10  43 15 o 161.4529 34.20068 1098.055       313.7536 1098.055       313.7536 0.000000       0.000000 161.4529 34.20068 ?        ?        0.000000       34.20068 
1 1 1 10  43 16 o 105.7705 37.95491 557.0858       299.3103 557.0858       299.3103 0.000000       0.000000 105.7705 37.95491 ?        ?        0.000000       37.95491 
1 1 1 10  44 0  o 84.04214 25.55742 263.9204       137.1514 625.1058       318.8222 181.9030       151.9275 111.8385 39.26734 71.85399 26.83434 39.98454       47.56055 
1 1 1 10  44 1  o 106.5805 23.13344 405.0721       140.4414 487.8546       285.3365 378.6058       161.3371 101.5472 36.97375 99.64092 26.95979 1.906303       45.75902 
1 1 1 10  44 2  o 57.07902 24.06616 64.04410       137.6709 -298.4131      291.3792 168.2123       156.2061 55.59673 27.15333 70.26970 26.98571 -14.67297      38.28226 
1 1 1 10  44 3  o 48.01661 23.26474 -218.2878      202.5649 -93.55152      254.7119 -432.9285      334.1250 59.58586 28.08812 55.90382 27.64695 3.682037       39.41188 
1 1 1 10  44 4  o 84.69845 25.41944 268.1941       136.3114 372.7258       283.6229 236.7966       155.4407 90.94258 35.94678 79.08408 27.44135 11.85851       45.22388 
1 1 1 10  44 5  o 98.70277 28.62261 384.5935       175.3070 236.5653       294.3156 465.9919       218.2473 80.55305 34.61223 104.8468 32.30780 -24.29379      47.34766 
1 1 1 10  44 6  f 91.92152 34.16026 372.6582       245.6175 507.5941       296.2862 76.18541       439.1774 102.0843 37.59423 77.68041 36.69793 24.40389       52.53631 
1 1 1 10  44 7  o 73.58967 30.60061 179.1143       217.9510 386.0858       311.1177 -20.34549      305.4197 90.94434 37.05336 66.87441 31.27959 24.06992       48.49086 
1 1 1 10  44 8  o 95.53590 26.76962 350.2965       155.9603 372.8337       305.3423 342.3415       181.4091 89.97073 36.68859 91.93725 29.60925 -1.966515      47.14616 
1 1 1 10  44 9  o 47.45565 21.53423 -26.63829      129.9530 350.3695       292.1800 -119.6099      145.0943 88.37101 35.94411 43.76442 20.79735 44.60659       41.52720 
1 1 1 10  44 10 o 63.20664 25.68200 113.6496       148.9775 426.7169       296.8670 8.269475       172.2354 94.35749 36.93377 56.10038 25.18341 38.25711       44.70243 
1 1 1 10  44 11 o 82.56071 26.82255 261.6232       148.6705 460.4816       300.3926 197.1117       171.0944 97.07233 37.38505 73.71537 28.25935 23.35696       46.86398 
1 1 1 10  44 12 o 82.70255 35.34428 276.5683       303.8535 276.5683       303.8535 0.000000       0.000000 82.70255 35.34428 ?        ?        0.000000       35.34428 
1 1 1 10  44 13 o 68.67632 32.09639 11.24889       320.5048 11.24889       320.5048 0.000000       0.000000 68.67632 32.09639 ?        ?        0.000000       32.09639 
1 1 1 10  45 0  o 124.4574 19.72468 527.3271       139.1778 886.6746       299.2411 428.1358       157.2174 140.4588 36.12381 106.9741 25.43401 33.48466       44.17939 
1 1 1 10  45 1  o 38.85250 19.29969 -327.8925      169.7471 -126.4465      242.6399 -520.9890      237.5582 56.37682 26.82044 43.06488 21.60805 13.31194       34.44189 
1 1 1 10  45 2  f 110.5166 21.04923 425.2401       131.4505 719.8496       260.7360 324.8412       152.2096 128.7083 34.02896 91.68360 26.69476 37.02473       43.25021 
1 1 1 10  45 3  o 96.90388 24.48946 347.7913       139.2169 286.1447       267.6766 370.6497       162.9966 82.97410 34.15105 97.46976 27.38664 -14.49567      43.77582 
1 1 1 10  45 4  o 55.60917 26.07852 -78.82758      214.6433 297.8385       279.8157 -617.3418      334.5742 83.92605 34.76584 51.39084 25.76555 32.53521       43.27271 
1 1 1 10  45 5  o 48.91759 23.36675 -145.9199      188.0898 -211.9971      295.5965 -100.9645      243.8174 58.29963 28.21272 57.66602 27.27289 0.6336060      39.23988 
1 1 1 10  45 6  o 92.54620 29.50594 349.3832       180.4797 907.3282       309.9803 63.24686       221.9857 140.6025 37.07055 64.65280 28.83714 75.94971       46.96601 
1 1 1 10  45 7  o 50.44292 23.02006 -28.65779      151.1738 338.6095       310.1765 -143.0774      173.1283 86.58179 36.29087 46.85443 22.39131 39.72736       42.64268 
1 1 1 10  45 8  o 56.95417 24.62727 52.65709       150.8351 -35.21374      321.4237 77.47237       170.8107 66.64995 31.45908 61.19180 26.33158 5.458145       41.02470 
1 1 1 10  45 9  o 57.68290 25.01217 54.87103       156.4647 202.9563       333.2571 12.99829       177.2104 78.04762 35.03330 56.63938 25.47508 21.40824       43.31641 
1 1 1 11  0  0  o 70.98574 28.88307 207.0532       117.9724 207.0532       117.9724 207.0532       117.9724 70.98574 28.88307 70.98574 28.88307 0.000000       0.000000 
1 1 1 11  0  1  o 239.3876 16.82200 1709.213       233.4451 1709.213       233.4451 1709.213       233.4451 239.3876 16.82200 239.3876 16.82200 0.000000       0.000000 
1 1 1 11  0  2  o 42.74620 28.08343 -30.03037      177.5302 -30.03037      177.5302 -30.03037      177.5302 42.74620 28.08343 42.74620 28.08343 0.000000       0.000000 
1 1 1 11  0  3  o 512.0240 19.33657 7742.868       578.7749 7742.868       578.7749 7742.868       578.7749 512.0240 19.33657 512.0240 19.33657 0.000000       0.000000 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  9  o 275.5667 15.70546 2250.969       251.9201 2250.969       251.9201 2250.969       251.9201 275.5667 15.70546 275.5667 15.70546 0.000000       0.000000 
1 1 1 11  0  10 o 244.4976 16.63926 1779.419       236.0160 1779.419       236.0160 1779.419       236.0160 244.4976 16.63926 244.4976 16.63926 0.000000       0.000000 
1 1 1 11  0  11 o 767.5142 19.42462 17338.04       873.0931 17338.04       873.0931 17338.04       873.0931 767.5142 19.42462 767.5142 19.42462 0.000000       0.000000 
1 1 1 11  0  12 o 609.1383 16.34263 10918.22       582.8829 10918.22       582.8829 10918.22       582.8829 609.1383 16.34263 609.1383 16.34263 0.000000       0.000000 
1 1 1 11  0  13 o 1189.243 28.75805 41719.06       2003.118 41719.06       2003.118 41719.06       2003.118 1189.243 28.75805 1189.243 28.75805 0.000000       0.000000 
1 1 1 11  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  15 o 926.1118 22.98001 25271.42       1246.406 25271.42       1246.406 25271.42       1246.406 926.1118 22.98001 926.1118 22.98001 0.000000       0.000000 
1 1 1 11  0  16 o 165.4855 25.46514 860.7398       229.7650 860.7398       229.7650 860.7398       229.7650 165.4855 25.46514 165.4855 25.46514 0.000000       0.000000 
1 1 1 11  0  17 o 323.0657 10.93437 3073.446       206.6355 3073.446       206.6355 3073.446       206.6355 323.0657 10.93437 323.0657 10.93437 0.000000       0.000000 
1 1 1 11  0  18 o 258.9380 11.64572 1979.988       176.0363 1979.988       176.0363 1979.988       176.0363 258.9380 11.64572 258.9380 11.64572 0.000000       0.000000 
1 1 1 11  0  19 o 54.89581 30.22912 123.4198       140.9323 123.4198       140.9323 123.4198       140.9323 54.89581 30.22912 54.89581 30.22912 0.000000       0.000000 
1 1 1 11  0  20 o 420.5393 10.09538 5200.125       248.6647 5200.125       248.6647 5200.125       248.6647 420.5393 10.09538 420.5393 10.09538 0.000000       0.000000 
1 1 1 11  0  21 o 308.3387 10.23446 2800.341       184.6107 2800.341       184.6107 2800.341       184.6107 308.3387 10.23446 308.3387 10.23446 0.000000       0.000000 
1 1 1 11  0  22 o 82.19620 28.98891 261.9753       126.8689 261.9753       126.8689 261.9753       126.8689 82.19620 28.98891 82.19620 28.98891 0.000000       0.000000 
1 1 1 11  0  23 o 351.7586 9.494551 3641.104       195.5482 3641.104       195.5482 3641.104       195.5482 351.7586 9.494551 351.7586 9.494551 0.000000       0.000000 
1 1 1 11  0  24 o 529.2282 10.62942 8238.480       329.6155 8238.480       329.6155 8238.480       329.6155 529.2282 10.62942 529.2282 10.62942 0.000000       0.000000 
1 1 1 11  0  25 o 222.1876 10.35557 1459.883       134.2711 1459.883       134.2711 1459.883       134.2711 222.1876 10.35557 222.1876 10.35557 0.000000       0.000000 
1 1 1 11  0  26 o 296.0691 17.96325 2615.308       309.2526 2615.308       309.2526 2615.308       309.2526 296.0691 17.96325 296.0691 17.96325 0.000000       0.000000 
1 1 1 11  0  27 o 162.6546 12.76009 792.7218       119.9507 792.7218       119.9507 792.7218       119.9507 162.6546 12.76009 162.6546 12.76009 0.000000       0.000000 
1 1 1 11  0  28 o 312.5356 8.950654 2876.561       163.7565 2876.561       163.7565 2876.561       163.7565 312.5356 8.950654 312.5356 8.950654 0.000000       0.000000 
1 1 1 11  0  29 o 27.89259 19.29609 -86.48064      107.6634 -86.48064      107.6634 -86.48064      107.6634 27.89259 19.29609 27.89259 19.29609 0.000000       0.000000 
1 1 1 11  0  30 o 210.4439 11.98877 1315.391       146.8586 1315.391       146.8586 1315.391       146.8586 210.4439 11.98877 210.4439 11.98877 0.000000       0.000000 
1 1 1 11  0  31 o 196.5014 13.19765 1151.944       150.4954 1151.944       150.4954 1151.944       150.4954 196.5014 13.19765 196.5014 13.19765 0.000000       0.000000 
1 1 1 11  0  32 o 454.8466 10.26883 6091.587       273.6127 6091.587       273.6127 6091.587       273.6127 454.8466 10.26883 454.8466 10.26883 0.000000       0.000000 
1 1 1 11  0  33 o 294.3781 10.35614 2557.994       178.2920 2557.994       178.2920 2557.994       178.2920 294.3781 10.35614 294.3781 10.35614 0.000000       0.000000 
1 1 1 11  0  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  35 o 68.49559 32.77722 208.8279       151.2677 208.8279       151.2677 208.8279       151.2677 68.49559 32.77722 68.49559 32.77722 0.000000       0.000000 
1 1 1 11  0  36 o 129.0897 22.26600 537.7869       153.5432 537.7869       153.5432 537.7869       153.5432 129.0897 22.26600 129.0897 22.26600 0.000000       0.000000 
1 1 1 11  0  37 o 78.34011 33.44103 264.7277       156.5072 264.7277       156.5072 264.7277       156.5072 78.34011 33.44103 78.34011 33.44103 0.000000       0.000000 
1 1 1 11  0  38 o 83.30184 33.71371 294.1693       160.9848 294.1693       160.9848 294.1693       160.9848 83.30184 33.71371 83.30184 33.71371 0.000000       0.000000 
1 1 1 11  0  39 o 117.0438 25.88535 468.7431       155.3821 468.7431       155.3821 468.7431       155.3821 117.0438 25.88535 117.0438 25.88535 0.000000       0.000000 
1 1 1 11  0  40 o 164.3001 16.12662 828.8680       151.7154 828.8680       151.7154 828.8680       151.7154 164.3001 16.12662 164.3001 16.12662 0.000000       0.000000 
1 1 1 11  0  41 o 81.51530 31.34625 279.7323       141.7910 279.7323       141.7910 279.7323       141.7910 81.51530 31.34625 81.51530 31.34625 0.000000       0.000000 
1 1 1 11  0  42 o 185.5411 14.20675 1045.449       152.4535 1045.449       152.4535 1045.449       152.4535 185.5411 14.20675 185.5411 14.20675 0.000000       0.000000 
1 1 1 11  0  43 o 137.0861 18.30803 597.3939       139.8483 597.3939       139.8483 597.3939       139.8483 137.0861 18.30803 137.0861 18.30803 0.000000       0.000000 
1 1 1 11  0  44 o 60.50655 31.08629 176.0467       140.4588 176.0467       140.4588 176.0467       140.4588 60.50655 31.08629 60.50655 31.08629 0.000000       0.000000 
1 1 1 11  0  45 o 50.78095 29.78177 111.0300       149.1995 111.0300       149.1995 111.0300       149.1995 50.78095 29.78177 50.78095 29.78177 0.000000       0.000000 
1 1 1 11  0  46 o 34.27781 23.62344 -91.62652      157.6636 -91.62652      157.6636 -91.62652      157.6636 34.27781 23.62344 34.27781 23.62344 0.000000       0.000000 
1 1 1 11  0  47 f 34.17179 23.77187 -121.0616      169.3739 -121.0616      169.3739 -121.0616      169.3739 34.17179 23.77187 34.17179 23.77187 0.000000       0.000000 
1 1 1 11  0  48 o 55.06677 33.24873 134.5363       196.3390 134.5363       196.3390 134.5363       196.3390 55.06677 33.24873 55.06677 33.24873 0.000000       0.000000 
1 1 1 11  0  49 o 94.59186 37.68336 417.4861       202.1472 417.4861       202.1472 417.4861       202.1472 94.59186 37.68336 94.59186 37.68336 0.000000       0.000000 
1 1 1 11  1  0  o 259.1350 9.231817 1974.548       140.0778 2115.096       242.8549 1904.476       171.4774 267.5583 15.54361 254.2911 11.52806 13.26717       19.35201 
1 1 1 11  1  1  o 406.4871 12.00875 4861.342       285.9688 4962.433       406.4897 4762.283       402.3835 410.0276 16.94035 401.6310 17.12222 8.396637       24.08621 
1 1 1 11  1  2  o 300.8164 11.53771 2663.181       203.1729 2771.649       293.1373 2562.902       281.8545 306.3371 16.37578 294.5409 16.38110 11.79620       23.16261 
1 1 1 11  1  3  o 282.8071 16.62672 2363.329       274.5536 2363.329       274.5536 0.000000       0.000000 282.8071 16.62672 ?        ?        0.000000       16.62672 
1 1 1 11  1  4  o 95.73994 31.54068 260.9779       205.2466 260.9779       205.2466 0.000000       0.000000 95.73994 31.54068 ?        ?        0.000000       31.54068 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  1  10 o 341.4804 10.17079 3425.764       203.4637 3575.124       287.1637 3275.196       288.3220 348.5621 14.07645 333.5347 14.77629 15.02737       20.40797 
1 1 1 11  1  11 o 1111.876 19.00942 36376.61       1239.584 35861.47       1716.714 36937.77       1791.766 1102.181 26.55794 1118.383 27.31746 -16.20129      38.09945 
1 1 1 11  1  12 o 719.6542 13.01878 15212.07       549.4710 15432.62       792.3542 15007.76       762.6362 723.9797 18.67692 714.0073 18.22718 9.972473       26.09708 
1 1 1 11  1  13 o 316.2652 15.14251 2946.603       280.0505 2946.603       280.0505 0.000000       0.000000 316.2652 15.14251 ?        ?        0.000000       15.14251 
1 1 1 11  1  14 o 1460.920 24.76519 62992.75       2121.870 67363.81       3287.071 59870.20       2778.250 1504.629 37.25024 1420.521 33.34825 84.10754       49.99686 
1 1 1 11  1  15 o 348.7375 12.35364 3576.893       252.2654 3243.402       324.8037 4083.887       400.4802 331.6322 16.75417 372.0268 18.41229 -40.39459      24.89407 
1 1 1 11  1  16 o 317.5733 9.153623 2962.838       170.3076 3300.545       229.6370 2550.039       253.8874 335.0113 11.70577 294.1370 14.76495 40.87424       18.84220 
1 1 1 11  1  17 o 55.03880 23.29298 5.173910       129.7582 114.6146       187.9300 -94.53522      179.3800 76.66711 29.55857 56.52302 25.50812 20.14408       39.04322 
1 1 1 11  1  18 o 522.4141 7.673401 8009.954       235.1004 8084.331       339.3660 7941.320       326.0009 524.5897 11.03057 519.9574 10.69056 4.632263       15.36104 
1 1 1 11  1  19 f 216.2879 9.068511 1376.126       114.7768 1302.114       162.5424 1449.732       162.0963 209.9915 13.26599 221.6992 12.51775 -11.70770      18.23953 
1 1 1 11  1  20 o 505.7330 7.533436 7508.384       223.4421 7515.042       314.3062 7501.581       317.7109 505.6819 10.59803 505.2157 10.72271 0.4662170      15.07630 
1 1 1 11  1  21 o 562.1329 7.884790 9279.039       259.9439 9342.128       370.2382 9217.706       365.0492 563.6419 11.20024 559.8875 11.11732 3.754395       15.78101 
1 1 1 11  1  22 o 50.27016 20.01813 38.58029       88.57584 11.62487       122.6251 67.98875       128.0833 54.07410 22.75121 61.85081 24.24511 -7.776703      33.24820 
1 1 1 11  1  23 o 268.9887 7.236503 2126.551       114.0562 2106.551       157.0537 2148.871       165.9099 267.4398 10.03095 270.0612 10.49512 -2.621338      14.51783 
1 1 1 11  1  24 o 31.15441 14.97926 -119.1401      80.13914 -69.55743      111.7872 -171.5651      114.9466 43.57936 19.85220 37.20649 17.90211 6.372868       26.73191 
1 1 1 11  1  25 o 367.4449 6.633591 3965.608       142.9524 4066.846       208.9858 3876.586       195.9716 371.6540 9.596014 362.9079 9.215049 8.746033       13.30416 
1 1 1 11  1  26 o 242.8870 6.783524 1734.523       96.53493 1652.659       132.8713 1826.041       140.4890 236.7648 9.588770 248.8865 9.643021 -12.12170      13.59898 
1 1 1 11  1  27 o 138.0484 13.60253 568.6773       108.6998 585.4847       120.5991 495.8936       250.9634 139.8490 14.93484 124.8220 33.56045 15.02706       36.73355 
1 1 1 11  1  28 o 162.5931 8.858605 780.2749       84.15394 864.1357       118.2732 694.2864       119.7641 170.7100 11.88772 152.6553 13.51672 18.05476       18.00055 
1 1 1 11  1  29 o 212.5998 7.577521 1330.541       94.32906 1296.981       133.8851 1363.620       132.9229 209.4573 10.93688 214.8393 10.58216 -5.381973      15.21832 
1 1 1 11  1  30 o 30.57994 15.02106 -189.3853      93.13795 -143.7675      132.0250 -234.5799      131.4110 42.84774 20.20535 37.71829 18.38051 5.129456       27.31481 
1 1 1 11  1  31 o 170.5519 10.70094 860.7568       106.4963 862.2956       147.8472 859.0974       153.5307 169.9716 14.98483 169.5261 15.61759 0.4454651      21.64380 
1 1 1 11  1  32 o 111.2779 15.82694 374.6314       100.3806 232.3731       143.9365 509.3340       140.0620 86.99876 26.12322 129.3448 19.03226 -42.34599      32.32104 
1 1 1 11  1  33 o 171.9538 10.64063 875.7006       106.7817 958.1783       151.8478 795.0138       150.1900 179.1526 14.57811 162.7820 15.93594 16.37061       21.59805 
1 1 1 11  1  34 o 235.6053 8.576099 1637.423       118.3042 1662.445       169.4044 1613.602       165.2864 236.6811 12.24588 233.1960 12.12719 3.485107       17.23457 
1 1 1 11  1  35 o 94.43857 25.43757 282.7012       144.0213 69.76296       362.2033 322.6906       156.9633 90.84570 38.69958 100.6511 26.30337 -9.805420      46.79236 
1 1 1 11  1  36 o 273.1399 8.092050 2200.529       129.4837 2150.080       189.6453 2244.583       177.2206 269.0351 12.04998 275.1868 11.00304 -6.151672      16.31775 
1 1 1 11  1  37 o 199.3133 10.72610 1179.759       124.9182 1150.620       187.2831 1203.112       167.6629 195.1566 16.51806 200.2928 14.36866 -5.136154      21.89303 
1 1 1 11  1  38 o 42.89617 19.72445 -76.46922      113.8281 -210.2275      162.2192 53.26986       159.7634 44.92097 21.52294 63.76229 26.32781 -18.84132      34.00574 
1 1 1 11  1  39 o 51.83576 21.62516 26.69827       109.3634 6.862404       154.0518 46.85215       155.2818 57.85640 24.95235 61.89893 25.79148 -4.042538      35.88622 
1 1 1 11  1  40 o 173.6179 11.22773 904.1063       113.7108 861.1075       161.9612 945.9053       159.6857 167.1639 16.74551 175.7919 15.65227 -8.628006      22.92173 
1 1 1 11  1  41 o 198.4128 10.30567 1178.061       119.5103 1163.577       168.1413 1192.849       169.8985 195.1277 14.80326 197.5980 14.76756 -2.470322      20.90975 
1 1 1 11  1  42 o 305.6087 7.760517 2771.020       138.9810 2767.702       196.7384 2774.324       196.3598 303.6066 11.06763 303.9928 11.03214 -0.3861694     15.62691 
1 1 1 11  1  43 o 72.48348 21.74414 173.2318       99.75957 81.98414       153.8144 239.4826       131.0636 63.54247 25.99095 83.82742 24.86986 -20.28496      35.97276 
1 1 1 11  1  44 o 55.32895 21.31781 76.42153       97.70385 -22.55118      142.0497 165.2845       134.5993 51.58761 23.03490 71.86105 25.48889 -20.27343      34.35535 
1 1 1 11  1  45 o 137.4653 13.77076 585.2427       109.5269 686.5526       155.7199 486.0532       154.0818 145.9624 18.61375 119.8821 22.74717 26.08033       29.39227 
1 1 1 11  1  46 o 97.33037 20.84250 319.2148       115.3866 304.6106       161.4682 334.4556       164.9500 91.18259 27.73104 95.39711 27.79340 -4.214516      39.26173 
1 1 1 11  1  47 o 229.2469 10.10096 1588.609       135.4718 1481.459       192.6919 1693.334       190.4989 217.2944 15.21662 233.5553 13.97147 -16.26091      20.65787 
1 1 1 11  1  48 o 83.53976 25.05212 251.7850       132.4390 218.0590       184.9506 287.2784       189.7351 78.36462 29.53556 86.63894 30.30167 -8.274315      42.31478 
1 1 1 11  1  49 o 57.63734 24.83444 45.22044       152.3206 94.67052       234.8302 9.303433       200.1338 69.60139 30.40447 60.44822 27.13991 9.153175       40.75545 
1 1 1 11  2  0  o 212.1648 12.34718 1327.825       152.9717 1277.087       207.3096 1388.472       226.6512 207.4711 17.19194 216.2678 18.03362 -8.796753      24.91534 
1 1 1 11  2  1  o 191.0365 10.74831 1075.583       119.9367 1218.244       205.4640 1001.846       147.7155 202.5758 17.46444 184.0385 13.78588 18.53734       22.24988 
1 1 1 11  2  2  o 212.6235 12.65015 1333.715       157.0326 1313.911       211.9439 1357.818       233.8192 210.4758 17.32313 213.7698 18.84287 -3.294022      25.59579 
1 1 1 11  2  3  o 349.6453 16.58953 3607.647       339.2125 3607.647       339.2125 0.000000       0.000000 349.6453 16.58953 ?        ?        0.000000       16.58953 
1 1 1 11  2  4  o 231.5499 17.78464 1588.299       239.6640 1588.299       239.6640 0.000000       0.000000 231.5499 17.78464 ?        ?        0.000000       17.78464 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  2  9  o 316.3089 14.81067 2946.386       273.9865 2946.386       273.9865 0.000000       0.000000 316.3089 14.81067 ?        ?        0.000000       14.81067 
1 1 1 11  2  10 o 685.0617 12.62746 13782.52       507.3366 13422.05       694.3855 14195.29       743.0486 675.3489 17.54648 694.4415 18.26031 -19.09259      25.32425 
1 1 1 11  2  11 o 1113.663 19.01875 36494.19       1242.185 35716.75       1703.818 37376.27       1814.866 1099.983 26.41112 1124.932 27.50856 -24.94897      38.13487 
1 1 1 11  2  12 f 282.8526 10.33008 2351.655       171.0741 2469.033       252.8305 2252.534       232.3371 289.4696 14.94337 276.5044 14.37673 12.96521       20.73632 
1 1 1 11  2  13 o 643.4615 12.25714 12159.98       462.5538 12559.49       678.4849 11813.06       632.2584 653.1610 17.72847 633.5370 17.03202 19.62396       24.58431 
1 1 1 11  2  14 f 380.4218 11.36827 4253.401       253.3512 4946.760       392.0585 3756.272       331.9758 409.8167 16.34492 357.0734 15.89234 52.74329       22.79743 
1 1 1 11  2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  2  16 o 235.9447 10.54796 1637.923       145.5894 1519.655       246.7290 1701.101       180.3308 226.3969 18.75030 240.2717 12.84392 -13.87483      22.72752 
1 1 1 11  2  17 o 312.0439 7.711489 2857.541       141.1251 3082.985       210.4431 2673.297       190.2442 323.7943 11.09832 301.5124 10.77592 22.28192       15.46911 
1 1 1 11  2  18 o 460.5314 7.402243 6224.400       199.9278 6160.977       282.2017 6288.310       283.2825 457.9875 10.50644 462.7009 10.43924 -4.713470      14.81091 
1 1 1 11  2  19 o 364.1893 7.159661 3892.806       152.9221 3642.087       211.5417 4167.235       221.3183 351.9522 10.25949 376.5131 10.03168 -24.56091      14.34893 
1 1 1 11  2  20 o 407.6733 7.152485 4878.499       171.0093 4888.241       243.2008 4868.972       240.5090 407.8689 10.16703 407.0718 10.07418 0.7971191      14.31285 
1 1 1 11  2  21 o 533.1811 7.651700 8347.308       239.2672 8324.928       337.3437 8369.963       339.4157 532.1147 10.80978 533.5472 10.84698 -1.432434      15.31366 
1 1 1 11  2  22 o 419.0084 6.941453 5154.815       170.5782 5283.624       244.2496 5032.177       238.3274 423.9436 9.823705 413.7331 9.822075 10.21048       13.89166 
1 1 1 11  2  23 o 242.3891 7.313424 1727.170       103.8454 1778.975       147.4205 1676.147       146.3049 245.7072 10.25286 238.4605 10.48710 7.246750       14.66630 
1 1 1 11  2  24 o 243.0522 7.159934 1736.776       101.9496 1726.235       146.4406 1746.689       142.0180 241.9730 10.34302 243.4514 9.967818 -1.478424      14.36438 
1 1 1 11  2  25 o 185.6050 8.355550 1014.835       90.71940 1114.225       136.6848 936.5802       121.2846 194.0357 12.07103 177.8869 11.69028 16.14882       16.80394 
1 1 1 11  2  26 o 320.7747 6.555338 3022.645       123.3234 3059.990       177.1104 2987.497       171.8212 322.3179 9.379319 318.4995 9.208180 3.818420       13.14390 
1 1 1 11  2  27 o 262.2042 6.746441 2021.405       103.6583 2015.513       148.2860 2027.035       144.9605 261.4538 9.687378 262.2369 9.440925 -0.7831116     13.52688 
1 1 1 11  2  28 o 301.4709 7.935977 2674.581       140.1905 2696.855       160.8131 2604.057       286.1427 302.5602 9.072982 295.7071 16.56571 6.853027       18.88761 
1 1 1 11  2  29 o 32.71415 15.59479 -107.9074      82.88470 -116.9958      111.6558 -96.75243      123.7008 39.77921 18.70344 44.15060 20.39479 -4.371391      27.67248 
1 1 1 11  2  30 o 193.1337 9.483828 1100.831       107.0933 1220.041       160.2374 1004.596       143.9706 202.6976 13.55716 183.8667 13.44412 18.83090       19.09296 
1 1 1 11  2  31 o 178.9412 15.15158 955.3918       157.5147 1005.067       179.1611 786.2758       330.5716 183.1989 16.86429 156.1054 36.72531 27.09351       40.41228 
1 1 1 11  2  32 o 312.1876 7.509747 2865.896       137.4964 2932.884       196.6804 2801.863       192.2925 315.1950 10.65506 308.0653 10.65918 7.129669       15.07144 
1 1 1 11  2  33 o 346.6067 7.398231 3533.490       150.3888 3592.497       214.1113 3476.032       211.2806 348.8068 10.47845 343.0934 10.51258 5.713379       14.84292 
1 1 1 11  2  34 f 385.4943 7.276932 4372.308       164.5193 4742.752       252.9278 4100.626       216.6035 400.5532 10.77657 372.6620 9.919421 27.89120       14.64682 
1 1 1 11  2  35 o 34.04448 16.36328 -137.9125      95.44568 -84.88136      137.6982 -186.9543      132.4178 47.89868 21.90121 40.17821 19.30165 7.720467       29.19275 
1 1 1 11  2  36 o 77.36755 21.95325 186.9569       104.2090 409.4307       158.6185 18.01249       138.2249 113.5861 24.52969 57.01501 24.08078 56.57104       34.37426 
1 1 1 11  2  37 o 159.7015 12.89320 763.3779       119.7334 825.2356       183.3377 717.3742       158.1072 164.0618 19.43113 153.3358 17.91903 10.72598       26.43218 
1 1 1 11  2  38 o 121.7828 16.10797 453.4345       112.2291 486.5180       162.5946 423.3297       155.1022 123.7130 23.26362 115.0284 23.77744 8.684654       33.26503 
1 1 1 11  2  39 o 41.22520 18.90393 -64.50327      103.5723 -12.88923      145.9378 -116.8819      147.0148 54.64082 23.91660 46.91990 21.86522 7.720921       32.40512 
1 1 1 11  2  40 o 103.9012 18.25867 340.6734       107.2017 261.3054       156.0615 411.5832       147.5116 88.70746 27.31742 112.3167 23.16351 -23.60925      35.81605 
1 1 1 11  2  41 o 46.52098 20.20998 -3.337877      102.5452 -10.22579      155.0889 2.012613       136.6891 55.74421 24.51927 53.68394 23.32740 2.060268       33.84320 
1 1 1 11  2  42 o 181.2337 10.23395 984.8751       108.3340 1057.276       153.6818 913.3619       152.7372 185.9411 14.20020 172.1920 15.28310 13.74904       20.86190 
1 1 1 11  2  43 o 29.79395 14.75877 -211.4998      96.66335 -128.0970      144.6512 -278.7959      129.9351 44.78346 21.12770 34.45284 17.07449 10.33062       27.16465 
1 1 1 11  2  44 o 47.45256 20.35394 12.30652       101.4448 -25.00617      146.3256 46.83736       140.7653 52.10089 23.31336 57.79401 24.34957 -5.693115      33.71075 
1 1 1 11  2  45 o 45.63266 19.94952 -1.894703      101.2696 -240.3853      150.3074 196.3616       137.0435 39.77992 19.44428 76.01218 25.78615 -36.23226      32.29560 
1 1 1 11  2  46 f 158.6253 12.86478 775.3002       118.6547 857.3751       172.9152 702.2612       163.1192 162.9042 18.42167 146.5248 19.46297 16.37944       26.79860 
1 1 1 11  2  47 o 60.95484 23.55128 103.7748       119.4905 -15.42376      171.5214 216.1745       166.5580 55.77010 25.07525 78.36006 28.28847 -22.58997      37.80219 
1 1 1 11  2  48 o 155.5969 17.40810 782.0201       156.1362 845.1632       202.7807 690.0728       244.6994 157.0881 22.66543 132.4100 31.89252 24.67801       39.12614 
1 1 1 11  2  49 o 89.81156 28.17461 307.0676       165.1604 170.3441       232.6344 446.0181       234.5213 75.17377 31.46358 102.9671 33.70413 -27.79330      46.10776 
1 1 1 11  3  0  o 534.3601 11.35970 8390.478       356.0012 8060.667       594.5765 8574.790       444.4804 522.3578 19.44230 539.7206 14.05409 -17.36273      23.99001 
1 1 1 11  3  1  o 466.5359 10.47622 6393.474       286.6422 6909.912       513.0153 6159.067       345.6256 483.8539 18.11059 457.5214 12.89369 26.33252       22.23153 
1 1 1 11  3  2  o 176.9305 14.11465 926.5154       145.2480 981.2707       191.5191 852.3831       222.8449 181.5771 18.23100 168.2693 23.19779 13.30783       29.50435 
1 1 1 11  3  3  f 206.3486 18.20937 1264.104       218.1084 1264.104       218.1084 0.000000       0.000000 206.3486 18.20937 ?        ?        0.000000       18.20937 
1 1 1 11  3  4  o 73.09177 28.26336 102.1732       172.1902 102.1732       172.1902 0.000000       0.000000 73.09177 28.26336 ?        ?        0.000000       28.26336 
1 1 1 11  3  5  o 591.1745 21.30937 10318.22       737.6084 10318.22       737.6084 0.000000       0.000000 591.1745 21.30937 ?        ?        0.000000       21.30937 
1 1 1 11  3  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  3  8  o 488.7199 15.21295 7026.500       435.5065 7026.500       435.5065 0.000000       0.000000 488.7199 15.21295 ?        ?        0.000000       15.21295 
1 1 1 11  3  9  o 822.8931 20.71058 19949.70       998.7136 19949.70       998.7136 0.000000       0.000000 822.8931 20.71058 ?        ?        0.000000       20.71058 
1 1 1 11  3  10 o 1052.690 25.64981 32696.70       1583.562 32696.70       1583.562 0.000000       0.000000 1052.690 25.64981 ?        ?        0.000000       25.64981 
1 1 1 11  3  11 o 896.7819 15.66768 23638.35       824.0284 23022.65       1124.626 24352.08       1210.849 884.0729 21.69050 909.0428 22.71198 -24.96991      31.40561 
1 1 1 11  3  12 o 104.2387 25.41542 333.4239       153.9497 534.8438       222.3893 148.0819       213.3288 131.9243 29.48598 83.61913 31.67480 48.30512       43.27489 
1 1 1 11  3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  3  14 o 159.7513 28.36208 776.8893       255.9923 0.000000       0.000000 776.8893       255.9923 ?        ?        159.7513 28.36208 0.000000       28.36208 
1 1 1 11  3  15 o 236.8991 14.06441 1655.202       194.5253 1492.993       281.8654 1802.722       268.8002 223.9999 21.72835 246.7474 18.71445 -22.74753      28.67668 
1 1 1 11  3  16 o 1004.136 14.22705 29640.97       837.8334 29464.60       1436.464 29731.91       1031.453 998.6855 24.52537 1005.031 17.49925 -6.345215      30.12835 
1 1 1 11  3  17 o 258.7402 8.674007 1967.319       131.4377 1827.873       188.7022 2098.727       183.1825 249.0510 12.96391 267.0237 11.72583 -17.97275      17.48022 
1 1 1 11  3  18 o 196.6725 11.28292 1140.191       129.5953 1265.894       175.4313 989.1898       192.2757 206.9292 14.54827 182.3050 18.22769 24.62413       23.32168 
1 1 1 11  3  19 o 425.0463 7.298691 5302.785       181.9415 5143.744       254.5830 5468.812       260.1144 418.4219 10.37444 431.4482 10.27981 -13.02634      14.60491 
1 1 1 11  3  20 o 197.4786 9.468801 1148.261       109.3449 1186.458       159.6792 1114.534       150.0442 200.3080 13.67451 194.1632 13.25606 6.144730       19.04509 
1 1 1 11  3  21 o 646.1686 8.554898 12264.43       324.1986 12241.45       457.5765 12287.60       459.4012 645.0178 12.09599 646.2281 12.12148 -1.210327      17.12435 
1 1 1 11  3  22 o 238.3759 7.698029 1670.632       107.4788 1748.047       156.1078 1600.866       148.1965 243.5219 10.95847 233.0328 10.87350 10.48914       15.43765 
1 1 1 11  3  23 o 659.8548 8.664082 12797.05       335.2906 12888.96       479.1703 12708.87       469.3281 661.4410 12.35231 656.8452 12.18324 4.595825       17.34967 
1 1 1 11  3  24 o 314.1743 6.718310 2898.877       123.7888 3028.642       182.9778 2789.363       168.0951 320.7114 9.739507 307.8241 9.321859 12.88727       13.48166 
1 1 1 11  3  25 o 170.1678 9.091419 854.1725       90.40248 895.8083       133.6798 819.0845       122.7191 173.7209 13.22017 166.1533 12.68968 7.567535       18.32487 
1 1 1 11  3  26 o 119.1156 11.65865 422.3390       80.40376 472.9648       119.1438 380.0023       108.9543 125.2257 16.63387 111.9162 17.14505 13.30946       23.88804 
1 1 1 11  3  27 o 45.05829 18.35922 23.62112       76.38556 122.7393       112.4602 -61.27091      104.0772 67.18002 23.33945 42.29118 19.22246 24.88884       30.23629 
1 1 1 11  3  28 o 495.5333 7.315532 7218.169       212.6030 7154.418       301.7415 7281.018       299.6019 492.7170 10.44208 497.0961 10.27670 -4.379059      14.65086 
1 1 1 11  3  29 o 95.14120 21.72598 281.5651       118.5563 329.3456       132.2285 85.69853       267.7192 102.8790 22.53979 82.96536 34.15127 19.91368       40.91883 
1 1 1 11  3  30 o 272.3740 11.28281 2191.595       179.8423 2176.653       213.4692 2228.134       333.8225 271.0183 13.47255 272.1814 21.07664 -1.163086      25.01468 
1 1 1 11  3  31 o 66.90894 22.68789 125.5330       106.0888 59.93638       147.7239 195.3962       152.4524 63.76567 25.69432 81.96598 27.19044 -18.20031      37.41013 
1 1 1 11  3  32 o 289.5831 7.622543 2467.868       129.3439 2590.595       195.9889 2373.172       172.1590 296.0732 11.30787 283.5354 10.37060 12.53772       15.34332 
1 1 1 11  3  33 o 270.4514 7.936545 2154.209       125.7480 2192.818       181.8526 2118.833       174.0716 272.2390 11.41520 267.6614 11.11316 4.577545       15.93139 
1 1 1 11  3  34 o 105.9110 15.97359 341.3788       96.13596 368.7112       144.3434 319.5888       128.8804 108.3041 23.40863 100.9254 22.36262 7.378654       32.37361 
1 1 1 11  3  35 o 189.9232 9.451055 1067.016       104.9403 1017.617       151.4280 1112.661       145.5617 184.4743 14.10344 193.2354 12.91849 -8.761108      19.12575 
1 1 1 11  3  36 o 265.0894 8.268189 2073.491       128.3873 2256.102       191.1494 1923.400       173.2948 275.6415 11.85206 254.5255 11.64005 21.11597       16.61211 
1 1 1 11  3  37 o 255.3539 8.730571 1927.081       130.5559 2029.586       191.2055 1837.550       178.6964 261.0020 12.52784 248.3887 12.30517 12.61327       17.56030 
1 1 1 11  3  38 o 38.58943 18.18448 -110.1708      106.5964 -332.2824      163.6367 53.56216       140.4958 39.87104 19.64834 60.73839 24.84165 -20.86735      31.67278 
1 1 1 11  3  39 o 86.81199 21.29614 242.5060       107.5922 263.4893       154.4653 222.7311       149.9517 89.71724 27.08906 83.49496 26.92258 6.222282       38.19218 
1 1 1 11  3  40 o 76.95001 22.29626 191.7245       106.4161 154.1796       150.5027 229.2617       150.4875 73.20694 26.82167 83.80125 26.96603 -10.59431      38.03379 
1 1 1 11  3  41 o 222.6553 9.216857 1477.209       120.0954 1621.328       165.9028 1318.545       174.0726 231.8952 12.24201 207.9803 14.35925 23.91492       18.86942 
1 1 1 11  3  42 f 196.0733 10.09029 1151.771       115.6404 1204.561       161.4968 1096.222       165.6631 198.6389 13.95147 188.8263 15.08469 9.812531       20.54730 
1 1 1 11  3  43 o 74.47718 22.94397 184.1837       110.0788 271.2518       165.7639 115.4981       147.2289 88.10039 28.29713 66.55739 26.02228 21.54300       38.44329 
1 1 1 11  3  44 o 147.8353 11.91137 665.6481       102.4003 542.0270       152.7875 766.4606       137.9745 128.4085 21.01443 156.9444 15.17927 -28.53595      25.92329 
1 1 1 11  3  45 o 53.21642 21.34061 60.19563       101.3825 197.6605       153.7112 -45.65119      134.8803 76.56772 27.23035 48.13943 21.88154 28.42829       34.93270 
1 1 1 11  3  46 o 187.2776 11.17489 1066.881       122.1800 979.4926       177.2772 1145.947       168.6246 174.9319 17.51489 191.2912 15.15431 -16.35924      23.16084 
1 1 1 11  3  47 o 131.1662 16.73476 551.3638       125.8058 587.2750       176.6927 514.4404       179.1657 129.9380 24.07260 119.6115 26.26162 10.32651       35.62531 
1 1 1 11  3  48 o 132.6759 19.59452 584.1381       147.8856 659.0695       189.8123 468.3945       235.9071 136.7916 24.56263 106.1797 33.72021 30.61195       41.71781 
1 1 1 11  3  49 o 47.55155 22.56545 -133.9343      169.6396 -507.4975      219.9650 414.3514       266.4864 41.69744 20.90362 97.48948 35.69490 -55.79203      41.36528 
1 1 1 11  4  0  o 249.3593 11.31177 1830.582       164.9964 1867.777       228.6299 1790.156       238.3540 251.4453 15.58036 246.0175 16.61734 5.427826       22.77902 
1 1 1 11  4  1  o 371.3853 11.47830 4056.191       249.7074 3951.461       341.1842 4177.004       366.4467 366.0649 15.93020 376.2919 16.64606 -10.22699      23.04046 
1 1 1 11  4  2  o 327.6262 11.62343 3157.507       222.9845 3140.896       304.4033 3176.740       327.5643 326.3091 15.95468 328.0286 17.08574 -1.719543      23.37679 
1 1 1 11  4  3  o 281.6448 15.57196 2340.626       256.2133 2340.626       256.2133 0.000000       0.000000 281.6448 15.57196 ?        ?        0.000000       15.57196 
1 1 1 11  4  4  o 384.2767 16.77541 4353.522       377.1551 4353.522       377.1551 0.000000       0.000000 384.2767 16.77541 ?        ?        0.000000       16.77541 
1 1 1 11  4  5  o 635.3918 22.44948 11922.13       835.2480 11922.13       835.2480 0.000000       0.000000 635.3918 22.44948 ?        ?        0.000000       22.44948 
1 1 1 11  4  6  o 325.0191 16.56736 3114.786       314.7587 3114.786       314.7587 0.000000       0.000000 325.0191 16.56736 ?        ?        0.000000       16.56736 
1 1 1 11  4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  4  9  o 354.4713 14.08696 3697.218       292.2692 3697.218       292.2692 0.000000       0.000000 354.4713 14.08696 ?        ?        0.000000       14.08696 
1 1 1 11  4  10 o 870.1666 15.27469 22252.88       779.5165 22345.84       1108.641 22161.98       1096.269 871.0023 21.70307 867.4389 21.54902 3.563354       30.58404 
1 1 1 11  4  11 o 473.8997 10.35885 6592.444       287.9047 7131.344       437.4272 6180.573       382.4131 492.3634 15.16658 458.4248 14.24103 33.93863       20.80462 
1 1 1 11  4  12 o 425.0821 10.42488 5304.460       259.8928 5311.159       371.8369 5298.062       363.3963 424.8445 14.94683 424.3512 14.62359 0.4932861      20.91070 
1 1 1 11  4  13 o 553.0494 16.01271 9000.635       518.8260 0.000000       0.000000 9000.635       518.8260 ?        ?        553.0494 16.01271 0.000000       16.01271 
1 1 1 11  4  14 o 773.5427 20.02906 17635.55       907.8830 0.000000       0.000000 17635.55       907.8830 ?        ?        773.5427 20.02906 0.000000       20.02906 
1 1 1 11  4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  4  16 o 332.5450 12.13648 3253.134       236.3006 2866.861       301.2974 3870.403       380.8776 311.7035 16.54096 362.1225 17.99042 -50.41898      24.43888 
1 1 1 11  4  17 o 463.1447 8.446645 6296.286       229.4307 6334.335       393.7693 6276.730       282.2993 463.8714 14.49195 462.3060 10.41189 1.565430       17.84444 
1 1 1 11  4  18 o 331.2336 8.330302 3222.876       161.6966 3267.678       211.1838 3159.395       251.3798 333.3322 10.81704 327.5308 13.11313 5.801392       16.99890 
1 1 1 11  4  19 o 563.5494 7.987150 9323.750       263.9820 9107.057       366.5443 9557.259       380.5006 556.6459 11.22786 570.2210 11.37789 -13.57513      15.98503 
1 1 1 11  4  20 o 153.1086 11.49983 693.1592       102.5077 726.6465       153.1734 665.9960       137.9537 156.0406 17.01290 149.4694 15.98522 6.571274       23.34451 
1 1 1 11  4  21 o 143.4888 11.36479 609.3641       94.85734 638.4306       143.2435 586.6627       126.5916 146.0800 17.03950 140.1783 15.66587 5.901672       23.14657 
1 1 1 11  4  22 o 730.8419 9.332975 15700.07       400.0314 15973.66       578.1271 15448.74       554.0974 736.2567 13.38886 724.1475 13.04694 12.10925       18.69449 
1 1 1 11  4  23 o 300.0387 6.807138 2643.640       119.7822 2811.460       177.6678 2503.797       162.1843 309.0204 9.815722 291.6430 9.494801 17.37741       13.65649 
1 1 1 11  4  24 o 725.7551 9.265392 15491.45       394.3705 15655.77       565.1996 15335.54       550.5377 728.4719 13.22935 721.0518 13.01877 7.420044       18.56082 
1 1 1 11  4  25 o 65.42402 20.03010 127.7701       84.05656 158.5947       125.0333 102.3505       113.5435 74.35105 24.62278 64.19881 23.33123 10.15224       33.92090 
1 1 1 11  4  26 o 56.20524 19.28710 86.24065       76.70833 186.7262       113.4924 1.729074       104.0814 78.26607 23.12318 48.72995 20.75143 29.53612       31.06933 
1 1 1 11  4  27 o 344.6776 6.713092 3490.740       135.7020 3525.983       196.6183 3458.681       187.5275 345.9021 9.701735 342.6444 9.340627 3.257660       13.46740 
1 1 1 11  4  28 o 334.6699 6.812287 3291.370       133.7088 3364.675       194.6311 3225.853       184.0020 337.8469 9.833411 330.8575 9.492491 6.989441       13.66760 
1 1 1 11  4  29 o 427.6423 7.198095 5375.331       180.5297 5285.356       254.2965 5466.750       256.3308 423.5387 10.23757 430.7634 10.14639 -7.224731      14.41378 
1 1 1 11  4  30 o 58.59533 22.91586 63.80320       114.2028 -88.29969      165.5028 202.0555       157.7876 53.69428 24.34001 83.35005 27.66254 -29.65577      36.84633 
1 1 1 11  4  31 o 66.21316 22.18724 124.3374       101.4630 223.9861       143.9258 25.88545       143.0589 85.75726 26.20129 59.24519 24.72604 26.51207       36.02617 
1 1 1 11  4  32 o 402.1267 7.242425 4754.454       170.8038 4769.336       244.8301 4740.342       238.4041 402.0592 10.39174 400.8911 10.14813 1.168152       14.52491 
1 1 1 11  4  33 o 130.5000 13.77725 510.1488       103.8546 440.8062       153.6827 568.4312       140.8943 119.0165 22.84798 136.8796 17.98585 -17.86317      29.07784 
1 1 1 11  4  34 f 298.0201 7.402075 2613.724       129.3748 2613.548       186.6004 2613.888       179.5314 297.2412 10.72173 297.3578 10.31022 -0.1165771     14.87468 
1 1 1 11  4  35 o 167.0523 10.23114 827.4826       99.75600 689.3807       140.4266 968.1700       141.7350 151.1254 16.09102 180.0403 13.52203 -28.91490      21.01824 
1 1 1 11  4  36 o 256.1147 8.021061 1934.995       120.3320 1942.918       183.7625 1929.048       159.2152 255.6191 12.29386 255.1397 10.66386 0.4793549      16.27443 
1 1 1 11  4  37 o 197.1463 10.74679 1154.783       123.7863 1289.709       176.7067 1024.771       173.4591 207.2584 14.63156 184.1234 16.22936 23.13506       21.85119 
1 1 1 11  4  38 o 39.91003 18.56139 -87.16503      105.1115 -89.96078      153.2448 -84.68114      144.4454 50.23694 23.02069 48.86520 22.37634 1.371735       32.10378 
1 1 1 11  4  39 o 65.15189 25.75157 90.25121       145.5506 629.7663       373.2473 -6.504465      158.0641 129.9523 42.51866 57.24947 24.97787 72.70287       49.31258 
1 1 1 11  4  40 o 78.55806 22.12254 200.5766       106.2338 202.1418       152.6665 199.1073       147.9204 79.87020 27.21449 79.22229 26.79055 0.6479111      38.18851 
1 1 1 11  4  41 o 122.5686 14.13612 460.9987       99.75616 410.6094       129.0620 535.7763       157.2228 113.0507 20.20766 128.7700 21.58147 -15.71925      29.56534 
1 1 1 11  4  42 o 228.5829 8.613900 1555.932       115.2701 1529.423       162.1859 1582.991       163.8599 224.8263 12.34771 228.7917 12.25660 -3.965393      17.39799 
1 1 1 11  4  43 o 176.4342 10.91222 939.5266       112.3611 861.2459       158.6841 1018.240       159.1219 165.8858 16.53056 181.4073 15.09291 -15.52156      22.38427 
1 1 1 11  4  44 o 53.16874 21.08453 62.00407       97.87277 59.59490       144.3053 64.05634       133.1882 59.53840 24.83983 58.52777 24.08954 1.010635       34.60236 
1 1 1 11  4  45 f 33.85281 16.38473 -144.1829      99.79353 -115.9095      151.5020 -165.8518      132.6318 46.31752 21.78044 39.87782 19.19827 6.439697       29.03380 
1 1 1 11  4  46 o 46.38625 20.48000 -7.521578      109.1571 132.6081       164.3089 -118.2278      146.0434 68.57269 27.27816 44.95687 21.21548 23.61581       34.55713 
1 1 1 11  4  47 o 44.93992 20.37191 -36.11990      115.9437 -53.55823      164.9525 -19.09128      163.0032 52.06572 23.86810 54.22354 24.40676 -2.157822      34.13761 
1 1 1 11  4  48 o 225.5184 10.98755 1549.619       144.8853 1534.496       203.6465 1565.120       206.1743 219.9788 15.89217 222.1299 15.93202 -2.151047      22.50312 
1 1 1 11  4  49 o 47.35478 22.22967 -99.87655      156.6296 -38.30239      197.2491 -204.9655      257.6880 56.91176 26.09361 55.96852 26.89729 0.9432335      37.47454 
1 1 1 11  5  0  o 282.4572 10.86827 2346.743       179.7017 2388.851       245.4844 2298.128       263.7733 284.6175 14.75698 278.9836 16.19093 5.633850       21.90695 
1 1 1 11  5  1  o 640.1121 15.79303 12055.32       592.8870 11887.66       826.1313 12233.39       851.3762 634.2271 22.24471 643.3144 22.60075 -9.087280      31.71153 
1 1 1 11  5  2  o 323.0691 11.46284 3069.651       216.8449 2947.688       291.3007 3221.230       324.7488 316.1579 15.76008 330.4128 16.81397 -14.25491      23.04538 
1 1 1 11  5  3  o 118.1587 18.33491 420.6916       122.9405 383.1895       157.5399 479.0998       196.6074 111.7405 24.69768 124.8401 27.58865 -13.09966      37.02849 
1 1 1 11  5  4  o 905.4944 30.23625 24323.16       1603.447 24323.16       1603.447 0.000000       0.000000 905.4944 30.23625 ?        ?        0.000000       30.23625 
1 1 1 11  5  5  o 889.9904 29.74347 23474.86       1550.304 23474.86       1550.304 0.000000       0.000000 889.9904 29.74347 ?        ?        0.000000       29.74347 
1 1 1 11  5  6  o 673.3818 23.39971 13386.63       922.7030 13386.63       922.7030 0.000000       0.000000 673.3818 23.39971 ?        ?        0.000000       23.39971 
1 1 1 11  5  7  o 290.5204 11.35962 2481.869       193.1759 2481.869       193.1759 0.000000       0.000000 290.5204 11.35962 ?        ?        0.000000       11.35962 
1 1 1 11  5  8  o 225.2910 17.34858 1501.368       227.4588 1501.368       227.4588 0.000000       0.000000 225.2910 17.34858 ?        ?        0.000000       17.34858 
1 1 1 11  5  9  o 245.6880 15.70379 1781.369       225.0916 1781.369       225.0916 0.000000       0.000000 245.6880 15.70379 ?        ?        0.000000       15.70379 
1 1 1 11  5  10 o 651.9532 17.23838 12508.07       658.5401 12508.07       658.5401 0.000000       0.000000 651.9532 17.23838 ?        ?        0.000000       17.23838 
1 1 1 11  5  11 o 746.5724 13.54440 16373.87       593.0378 15899.67       809.1174 16924.32       871.7440 734.8298 18.79017 758.0125 19.62581 -23.18268      27.17062 
1 1 1 11  5  12 o 181.7504 16.91863 979.8295       178.2684 906.7269       251.2910 1053.893       252.9363 173.4660 25.45798 187.6100 23.50248 -14.14395      34.64787 
1 1 1 11  5  13 f 573.7339 11.89372 9667.086       400.2014 10386.68       619.2327 9150.934       524.4448 593.8870 17.79877 557.6337 16.05286 36.25330       23.96853 
1 1 1 11  5  14 o 411.4830 15.64828 4985.892       376.9442 0.000000       0.000000 4985.892       376.9442 ?        ?        411.4830 15.64828 0.000000       15.64828 
1 1 1 11  5  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  5  16 o 601.8169 9.760357 10633.70       344.4931 11213.04       624.3861 10380.16       413.0504 616.9456 17.27363 594.4258 11.84827 22.51971       20.94659 
1 1 1 11  5  17 o 228.0800 10.32011 1530.902       137.6879 1322.280       231.8296 1644.596       171.1418 210.9681 18.93837 236.2351 12.39605 -25.26706      22.63457 
1 1 1 11  5  18 o 377.4788 9.473537 4187.218       209.5617 4426.451       322.5170 4012.410       275.6915 387.6153 14.21140 369.1895 12.75193 18.42584       19.09387 
1 1 1 11  5  19 o 476.9940 8.440466 6680.864       236.1184 6741.407       410.7643 6650.987       288.5564 478.2786 14.66136 475.7656 10.34159 2.513000       17.94168 
1 1 1 11  5  20 o 253.2758 7.826812 1885.354       116.1202 1722.097       168.9258 2031.602       159.8844 241.6721 11.95554 262.7043 10.39794 -21.03217      15.84462 
1 1 1 11  5  21 o 301.0759 7.187214 2661.498       126.9075 2627.063       183.8920 2692.811       175.3603 298.7219 10.51291 302.5086 9.897559 -3.786713      14.43894 
1 1 1 11  5  22 o 210.4346 8.180800 1302.949       100.7710 1294.815       149.1256 1309.785       136.7063 209.3422 12.19918 210.6879 11.10284 -1.345657      16.49524 
1 1 1 11  5  23 o 151.5642 9.809787 678.4976       86.72964 745.1386       137.4464 634.4080       111.7971 158.1439 14.99868 146.0958 13.18986 12.04808       19.97330 
1 1 1 11  5  24 o 348.3685 6.615249 3564.280       135.1561 3584.684       196.9020 3546.101       185.8552 348.9302 9.631117 347.1158 9.137503 1.814392       13.27601 
1 1 1 11  5  25 o 39.38968 17.26293 -17.67594      76.24648 -322.8807      125.5993 160.4387       95.94917 32.77110 16.33145 72.63145 21.20803 -39.86036      26.76745 
1 1 1 11  5  26 o 207.6687 7.948149 1269.891       96.62403 1253.706       141.3135 1284.101       132.4143 205.8322 11.75518 208.4558 10.86859 -2.623611      16.00970 
1 1 1 11  5  27 o 62.86862 23.67496 89.05614       118.7786 105.0321       134.5767 32.74322       252.6624 67.36576 25.23577 76.93696 32.52919 -9.571198      41.17028 
1 1 1 11  5  28 o 201.2928 8.416305 1194.095       99.13818 1419.776       146.2245 1002.107       134.8682 219.0912 11.41948 183.7721 12.58956 35.31903       16.99711 
1 1 1 11  5  29 o 230.3860 8.341100 1563.385       112.5156 1527.305       163.3380 1595.965       155.2147 227.1128 12.30895 232.3291 11.42650 -5.216232      16.79509 
1 1 1 11  5  30 o 296.3946 7.976771 2585.319       138.5329 2530.702       191.1078 2645.799       201.1045 292.7452 11.15149 299.2759 11.47903 -6.530701      16.00388 
1 1 1 11  5  31 o 323.0348 8.499222 3072.463       160.8798 3272.605       273.4563 2966.522       198.9540 332.2401 14.06595 317.0315 10.71579 15.20856       17.68274 
1 1 1 11  5  32 o 136.8699 12.96113 558.9363       102.8007 588.3173       160.4538 538.4785       133.8896 138.7988 20.31246 133.3627 17.54338 5.436050       26.83964 
1 1 1 11  5  33 o 389.1697 7.221940 4454.544       164.8327 4525.358       236.6573 4387.824       229.7150 391.5073 10.31592 385.5452 10.16817 5.962097       14.48482 
1 1 1 11  5  34 o 149.9236 11.47808 668.6459       100.1555 806.0377       149.4275 556.5744       134.9577 163.7344 15.75536 135.3774 17.39999 28.35699       23.47320 
1 1 1 11  5  35 o 208.4260 8.992929 1283.700       109.6681 1489.844       171.4691 1141.002       142.6623 223.6340 13.13146 195.7646 12.49096 27.86934       18.12345 
1 1 1 11  5  36 o 239.6381 8.462414 1695.584       118.7458 1719.397       176.7644 1676.000       160.3037 240.3265 12.58515 237.5498 11.54090 2.776749       17.07567 
1 1 1 11  5  37 o 225.0944 9.119657 1499.451       120.1416 1668.939       187.6947 1381.809       156.3735 236.2048 13.60675 215.2156 12.44211 20.98923       18.43773 
1 1 1 11  5  38 o 135.7740 13.87898 557.3525       108.9628 575.9325       162.7684 542.2644       146.6779 135.4693 21.18014 132.0088 19.53468 3.460434       28.81322 
1 1 1 11  5  39 o 46.28885 20.17644 -9.371835      102.9252 -46.04605      150.8448 22.57667       140.7911 52.63579 23.60271 56.95027 24.18924 -4.314480      33.79656 
1 1 1 11  5  40 o 66.81310 25.69339 112.1429       141.7374 128.7860       400.4543 109.7593       151.5475 91.21851 39.77856 67.62434 26.41229 23.59417       47.74874 
1 1 1 11  5  41 f 162.6644 14.47985 809.8112       136.6938 589.8550       386.6731 841.2252       146.1294 121.2894 43.18328 165.4493 15.23071 -44.15987      45.79050 
1 1 1 11  5  42 o 170.6798 10.24390 874.5043       102.0693 909.4457       143.8615 839.0864       144.8389 172.1728 14.37836 164.9414 15.14167 7.231354       20.88079 
1 1 1 11  5  43 o 53.65898 21.11743 64.60412       97.50050 27.79738       145.2487 94.79152       131.5411 56.75123 24.34899 62.23847 24.51780 -5.487240      34.55424 
1 1 1 11  5  44 o 42.65320 19.10447 -26.49670      98.51942 -20.05877      146.5206 -31.80922      133.0994 52.44147 23.40684 49.13748 22.09135 3.303989       32.18553 
1 1 1 11  5  45 o 59.05198 22.32263 97.11809       105.8247 32.77296       157.4668 150.1149       142.9078 58.26297 25.17796 69.58416 26.01775 -11.32119      36.20570 
1 1 1 11  5  46 o 218.6284 9.331845 1437.868       119.3780 1545.172       173.5063 1341.407       164.5052 223.8093 13.27831 208.2787 13.54082 15.53061       18.96490 
1 1 1 11  5  47 o 93.78464 21.50072 301.6478       115.7288 334.8468       170.3128 273.1695       157.7399 94.33631 28.43624 86.04410 27.60053 8.292213       39.62839 
1 1 1 11  5  48 o 70.84404 25.04407 171.3967       129.8510 340.1358       188.4025 18.71201       179.2159 93.35982 30.18399 58.88551 26.10812 34.47430       39.90874 
1 1 1 11  5  49 o 107.4945 23.99148 412.1958       147.4113 339.0491       200.3777 498.4818       217.6317 91.91068 31.18041 110.8069 31.81812 -18.89626      44.54897 
1 1 1 11  6  0  o 176.6543 12.42270 921.3482       127.8830 885.4264       160.3858 984.0479       211.8945 172.7601 16.01187 181.6241 20.23609 -8.864044      25.80463 
1 1 1 11  6  1  o 325.1518 11.16329 3108.538       212.5614 3143.814       290.7103 3068.012       311.5890 326.6211 15.21813 322.5065 16.52891 4.114532       22.46767 
1 1 1 11  6  2  o 332.8758 11.33074 3257.908       220.8806 3215.070       297.6782 3310.388       329.4821 330.3037 15.40926 335.0187 16.82303 -4.714966      22.81358 
1 1 1 11  6  3  o 608.7734 15.19281 10895.79       542.4309 10920.81       762.1484 10870.12       772.1762 608.3274 21.39579 606.8514 21.73127 1.475952       30.49636 
1 1 1 11  6  4  o 746.2172 25.37859 16459.75       1109.049 16459.75       1109.049 0.000000       0.000000 746.2172 25.37859 ?        ?        0.000000       25.37859 
1 1 1 11  6  5  o 307.9072 15.56190 2794.011       280.1061 2794.011       280.1061 0.000000       0.000000 307.9072 15.56190 ?        ?        0.000000       15.56190 
1 1 1 11  6  6  o 731.5296 25.01928 15806.41       1071.809 15806.41       1071.809 0.000000       0.000000 731.5296 25.01928 ?        ?        0.000000       25.01928 
1 1 1 11  6  7  o 150.0619 16.88577 670.4206       146.0315 670.4206       146.0315 0.000000       0.000000 150.0619 16.88577 ?        ?        0.000000       16.88577 
1 1 1 11  6  8  o 853.3143 16.87966 21409.39       844.7403 21409.39       844.7403 0.000000       0.000000 853.3143 16.87966 ?        ?        0.000000       16.87966 
1 1 1 11  6  9  o 634.9808 16.91108 11864.02       629.2100 11864.02       629.2100 0.000000       0.000000 634.9808 16.91108 ?        ?        0.000000       16.91108 
1 1 1 11  6  10 o 342.5996 14.13414 3454.423       283.3827 3454.423       283.3827 0.000000       0.000000 342.5996 14.13414 ?        ?        0.000000       14.13414 
1 1 1 11  6  11 o 313.6727 11.37787 2892.741       208.9624 3003.866       292.9008 2777.554       298.2054 319.2801 15.69027 306.8917 16.63051 12.38840       22.86391 
1 1 1 11  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  6  13 o 141.5854 33.03342 618.3621       269.2566 0.000000       0.000000 618.3621       269.2566 ?        ?        141.5854 33.03342 0.000000       33.03342 
1 1 1 11  6  14 o 831.0006 21.00548 20366.39       1022.907 0.000000       0.000000 20366.39       1022.907 ?        ?        831.0006 21.00548 0.000000       21.00548 
1 1 1 11  6  15 o 740.3093 19.40577 16157.27       841.8215 16157.27       841.8215 0.000000       0.000000 740.3093 19.40577 ?        ?        0.000000       19.40577 
1 1 1 11  6  16 f 271.5324 9.365669 2167.153       148.9225 2113.682       255.3278 2194.723       183.3377 267.5044 16.35297 273.0960 11.47240 -5.591614      19.97588 
1 1 1 11  6  17 o 319.9869 9.712573 3009.590       182.0598 3587.097       304.9614 2689.788       226.9375 348.8431 14.94071 302.2152 12.83302 46.62787       19.69547 
1 1 1 11  6  18 f 176.2931 12.13393 917.9986       124.6896 1092.982       229.4404 844.6593       148.5388 191.2402 20.79116 168.7070 15.17459 22.53326       25.73986 
1 1 1 11  6  19 f 461.4333 7.354000 6250.337       199.0137 6187.343       280.2847 6314.388       282.6258 458.8552 10.41533 463.5439 10.39610 -4.688721      14.71591 
1 1 1 11  6  20 o 88.18369 19.13953 238.6911       96.13789 281.1491       150.9991 209.7480       124.6715 95.65730 26.16524 83.18082 24.14230 12.47648       35.60155 
1 1 1 11  6  21 o 257.3248 8.148249 1946.971       122.8142 1998.062       175.3830 1897.812       172.0365 260.3355 11.51541 253.6982 11.59316 6.637268       16.34032 
1 1 1 11  6  22 o 456.8521 7.039419 6129.218       188.6092 6083.637       267.7200 6174.133       265.7583 454.8081 10.03696 458.1980 9.889701 -3.389923      14.09066 
1 1 1 11  6  23 o 329.2084 6.651657 3182.714       128.4255 3282.919       193.1935 3103.375       171.9067 333.9122 9.876139 324.7542 9.034616 9.158081       13.38516 
1 1 1 11  6  24 f 351.6327 6.633362 3631.573       136.7960 3777.753       204.5285 3513.250       184.0116 358.1769 9.745620 345.4959 9.089272 12.68094       13.32636 
1 1 1 11  6  25 o 206.6750 7.675686 1257.232       92.87537 1359.790       145.4413 1186.615       120.6866 214.4530 11.60718 200.4743 10.29930 13.97867       15.51780 
1 1 1 11  6  26 o 486.1655 8.473832 6952.550       241.6098 6839.253       286.8394 7229.259       448.2705 481.8617 10.15000 493.7090 15.50090 -11.84732      18.52837 
1 1 1 11  6  27 o 295.0657 6.860424 2558.526       118.7190 2602.960       172.3803 2518.433       163.7407 297.1089 9.906708 292.2949 9.564669 4.813934       13.77047 
1 1 1 11  6  28 o 77.80283 19.32313 187.5632       87.77036 207.0994       132.4181 172.2544       117.2191 82.53400 25.11531 75.86243 23.72667 6.671577       34.55045 
1 1 1 11  6  29 o 582.6346 8.137135 9984.197       278.0470 9885.832       388.2682 10087.74       398.3618 578.9142 11.43581 584.7416 11.61618 -5.827393      16.30072 
1 1 1 11  6  30 o 503.0475 7.966601 7441.903       235.0350 7545.353       337.8633 7344.896       327.1739 505.7763 11.39021 499.0664 11.17815 6.709961       15.95895 
1 1 1 11  6  31 o 322.4103 7.899115 3057.253       149.3612 2994.328       214.2837 3116.714       208.3007 318.3432 11.49626 324.9053 10.94723 -6.562134      15.87469 
1 1 1 11  6  32 f 127.5452 14.62358 488.5157       107.4117 624.3056       181.9454 415.8744       133.0758 142.4124 22.53322 116.2565 20.25349 26.15583       30.29769 
1 1 1 11  6  33 o 67.06863 22.56033 128.4203       104.8962 259.0394       167.5132 44.16232       134.5400 91.60731 28.31799 59.48719 24.31726 32.12011       37.32610 
1 1 1 11  6  34 o 505.3094 7.822811 7518.406       231.8306 7701.607       334.3096 7348.695       321.7660 510.3395 11.16964 498.5709 11.00431 11.76862       15.67978 
1 1 1 11  6  35 f 139.2687 12.43898 579.6636       100.5305 715.3313       157.4684 486.3269       130.6115 153.4391 17.83044 126.0535 18.19341 27.38564       25.47400 
1 1 1 11  6  36 o 166.8417 10.96433 827.6604       106.6900 773.6896       163.4276 867.7455       140.8436 159.4947 17.77305 170.0612 14.25250 -10.56654      22.78190 
1 1 1 11  6  37 o 168.5012 11.65119 847.0602       114.4304 767.8977       171.1626 911.0374       153.8727 158.2151 18.81439 173.7472 15.25527 -15.53209      24.22198 
1 1 1 11  6  38 o 137.0222 13.53566 567.1584       107.3536 545.6660       159.9898 584.7605       144.7877 131.5579 21.47624 137.5018 18.41718 -5.943893      28.29172 
1 1 1 11  6  39 o 181.8269 10.46810 987.3795       111.1570 882.0267       160.1591 1085.290       154.3987 169.6263 16.29972 189.3352 14.00383 -19.70889      21.48925 
1 1 1 11  6  40 f 181.9872 10.31017 990.6650       109.5915 827.3074       160.1405 1134.561       150.2989 163.5060 16.94539 193.5556 13.32160 -30.04965      21.55484 
1 1 1 11  6  41 o 83.32854 20.88580 227.2232       101.8590 82.85425       151.7061 345.7298       137.4477 64.12176 25.96645 101.9905 23.46694 -37.86871      34.99934 
1 1 1 11  6  42 o 99.13453 16.97206 311.5451       95.12936 266.1940       137.3474 353.3607       131.8852 88.39861 25.24297 103.1398 22.44247 -14.74118      33.77679 
1 1 1 11  6  43 f 151.9442 11.59318 700.7118       102.5287 710.6789       145.5549 690.8960       144.4465 150.3150 16.79787 148.1081 16.93344 2.206848       23.85183 
1 1 1 11  6  44 o 63.47871 22.14934 125.4598       101.3413 36.87745       147.8014 204.0543       139.2198 57.64200 24.64281 77.50785 25.98985 -19.86585      35.81536 
1 1 1 11  6  45 o 219.5153 9.684544 1450.094       124.3725 1387.717       180.2042 1506.835       171.8701 211.3125 14.63117 221.3011 13.30381 -9.988602      19.77530 
1 1 1 11  6  46 o 120.7444 16.16237 464.7442       111.5799 478.8163       164.9278 452.8673       151.5193 116.6270 24.87214 114.4667 23.36197 2.160309       34.12337 
1 1 1 11  6  47 o 205.0171 10.77705 1277.913       129.1257 1373.923       196.8729 1205.429       171.0588 207.9950 16.26856 195.8846 15.00421 12.11049       22.13125 
1 1 1 11  6  48 o 84.84097 24.36764 258.4699       127.6299 317.3652       194.6439 214.0483       169.0432 90.08519 30.72835 77.44026 28.41708 12.64493       41.85405 
1 1 1 11  7  0  o 377.1120 11.27722 4179.897       249.1350 4169.753       337.8266 4191.992       368.8780 376.2844 15.34047 377.1375 16.71912 -0.8531494     22.69050 
1 1 1 11  7  1  o 408.2209 11.76127 4898.130       281.2851 5080.727       393.1976 4706.731       402.5622 415.3387 16.17293 399.6167 17.21706 15.72202       23.62183 
1 1 1 11  7  2  o 522.1230 13.55115 8015.121       414.6028 8054.157       580.8686 7974.579       591.9627 522.7347 18.97874 520.0764 19.44205 2.658325       27.16958 
1 1 1 11  7  3  o 303.8535 16.67792 2723.265       296.0657 0.000000       0.000000 2723.265       296.0657 ?        ?        303.8535 16.67792 0.000000       16.67792 
1 1 1 11  7  4  o 523.4062 13.67094 8053.923       419.2912 8173.916       591.2029 7932.487       594.7476 526.6476 19.17306 518.7449 19.58434 7.902649       27.40716 
1 1 1 11  7  5  o 834.1425 27.95261 20580.81       1365.523 20580.81       1365.523 0.000000       0.000000 834.1425 27.95261 ?        ?        0.000000       27.95261 
1 1 1 11  7  6  o 610.5441 21.51063 10992.55       769.0270 10992.55       769.0270 0.000000       0.000000 610.5441 21.51063 ?        ?        0.000000       21.51063 
1 1 1 11  7  7  o 481.9668 11.67487 6820.476       330.0045 6820.476       330.0045 0.000000       0.000000 481.9668 11.67487 ?        ?        0.000000       11.67487 
1 1 1 11  7  8  o 572.2776 12.82482 9618.695       430.4361 9618.695       430.4361 0.000000       0.000000 572.2776 12.82482 ?        ?        0.000000       12.82482 
1 1 1 11  7  9  o 1005.010 24.71416 29794.62       1456.689 29794.62       1456.689 0.000000       0.000000 1005.010 24.71416 ?        ?        0.000000       24.71416 
1 1 1 11  7  10 o 356.5917 15.46985 3744.662       322.7554 3744.662       322.7554 0.000000       0.000000 356.5917 15.46985 ?        ?        0.000000       15.46985 
1 1 1 11  7  11 o 593.0543 11.94137 10328.81       415.3358 10327.92       595.1328 10329.65       579.9099 592.3193 17.15004 592.4273 16.70740 -0.1080322     23.94287 
1 1 1 11  7  12 o 596.5715 12.16479 10452.86       425.6158 10631.71       624.4473 10297.68       581.6519 600.8580 17.73982 591.4672 16.78500 9.390808       24.42207 
1 1 1 11  7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  7  14 o 322.0611 14.80556 3055.973       278.9010 0.000000       0.000000 3055.973       278.9010 ?        ?        322.0611 14.80556 0.000000       14.80556 
1 1 1 11  7  15 o 832.4098 12.18883 20357.52       595.0449 20216.03       1021.539 20430.19       732.0639 827.6812 21.06175 833.4886 14.97610 -5.807434      25.84339 
1 1 1 11  7  16 o 500.5364 10.42725 7358.052       306.0948 7732.125       469.9892 7082.505       403.3737 512.3693 15.65901 490.5687 14.03472 21.80054       21.02803 
1 1 1 11  7  17 o 502.0068 8.756235 7399.110       257.7968 7418.075       441.1829 7389.278       317.6732 501.8245 15.00737 501.5108 10.80065 0.3137207      18.48986 
1 1 1 11  7  18 o 412.0467 8.202766 4984.844       198.2245 5196.731       354.9035 4888.775       238.9733 419.9233 14.43231 407.9349 9.988676 11.98840       17.55179 
1 1 1 11  7  19 o 107.6459 18.13729 351.3098       110.4380 467.3711       188.6920 290.8373       136.2036 123.0006 26.90768 97.11181 24.04352 25.88879       36.08482 
1 1 1 11  7  20 o 249.6649 8.389724 1832.933       122.6700 1780.461       170.1741 1889.693       176.9897 245.7182 11.84367 253.1472 11.95510 -7.428970      16.82845 
1 1 1 11  7  21 o 540.2127 7.658426 8571.152       242.6358 8601.799       349.4920 8542.637       337.1199 540.7188 11.02085 538.9120 10.66636 1.806824       15.33722 
1 1 1 11  7  22 o 488.0226 7.234019 6995.178       207.0476 6895.136       292.8196 7095.207       292.7994 484.1190 10.31330 491.1151 10.16568 -6.996155      14.48120 
1 1 1 11  7  23 o 171.7770 8.828984 869.8468       88.64758 875.1748       139.6322 866.2494       114.7359 171.6257 13.99379 171.1069 11.50034 0.5187531      18.11309 
1 1 1 11  7  24 o 250.0667 8.034367 1840.043       117.6777 1779.856       202.0789 1870.926       144.7541 245.0540 14.12055 251.9468 9.815291 -6.892838      17.19679 
1 1 1 11  7  25 o 245.5054 7.247802 1772.809       104.2419 1792.304       157.4377 1757.590       139.1000 246.3804 10.92278 244.1506 9.733970 2.229782       14.63069 
1 1 1 11  7  26 o 315.3568 6.613897 2921.882       122.3236 2922.241       177.6505 2921.557       168.6810 314.8911 9.630889 314.9319 9.142373 -0.4080200E-01 13.27919 
1 1 1 11  7  27 o 285.2061 6.894207 2390.468       115.3171 2470.684       172.0885 2325.092       155.3578 289.4090 10.15460 280.8549 9.445369 8.554108       13.86834 
1 1 1 11  7  28 o 342.5491 6.966300 3448.502       139.9509 3408.976       199.2529 3486.987       196.6143 340.0355 10.00235 343.9523 9.756754 -3.916870      13.97288 
1 1 1 11  7  29 o 201.1731 9.371080 1194.011       110.2593 941.1039       164.6707 1399.543       148.4483 177.4299 15.99643 217.4885 11.68113 -40.05855      19.80743 
1 1 1 11  7  30 o 278.0135 8.247641 2275.530       134.3278 2300.169       195.0091 2253.284       185.2989 278.9097 11.94946 276.1382 11.46679 2.771545       16.56131 
1 1 1 11  7  31 o 60.63080 22.02896 91.87904       101.2132 151.2146       151.6706 44.24207       135.8988 75.61001 27.03164 59.92131 24.46064 15.68870       36.45590 
1 1 1 11  7  32 o 205.2789 9.180898 1243.795       110.2503 1247.300       172.2623 1241.363       143.4872 204.5912 14.44960 204.6051 12.01048 -0.1390076E-01 18.78942 
1 1 1 11  7  33 f 128.1925 14.32513 493.7978       105.8601 429.8369       164.3354 539.1635       138.4005 116.8464 24.75184 133.0891 18.20839 -16.24271      30.72782 
1 1 1 11  7  34 o 181.2039 10.17624 972.7123       107.7102 1014.500       169.6774 944.5082       139.3980 183.7535 15.90116 177.8709 13.46288 5.882584       20.83496 
1 1 1 11  7  35 f 343.9159 7.510744 3483.079       151.4906 3459.795       211.0444 3507.829       217.5854 341.9079 10.53739 344.1981 10.79214 -2.290192      15.08333 
1 1 1 11  7  36 o 80.59206 21.41614 204.7201       102.9407 91.55981       154.9449 294.1337       137.7310 67.62913 26.61936 95.98608 24.41355 -28.35696      36.11940 
1 1 1 11  7  37 o 360.6535 7.617687 3835.684       161.1253 3858.599       233.9881 3815.020       222.1998 360.4389 11.08225 358.5986 10.57692 1.840302       15.31952 
1 1 1 11  7  38 o 112.2912 15.84921 387.5815       101.4777 435.4107       150.0400 347.2573       137.7665 116.5941 22.75931 103.6999 23.23021 12.89416       32.52120 
1 1 1 11  7  39 f 37.33173 17.46437 -85.24384      95.27686 -72.92290      140.6146 -95.70180      129.5483 48.48355 22.15471 44.55150 20.68119 3.932053       30.30747 
1 1 1 11  7  40 o 66.52042 21.47486 138.3401       95.38828 130.1013       143.5971 144.8468       127.6121 69.15298 26.03338 69.79218 24.81211 -0.6391983     35.96356 
1 1 1 11  7  41 o 157.1883 11.51419 745.4276       105.4097 698.8693       156.7305 783.8807       142.4363 149.0499 18.31417 159.4848 15.42040 -10.43494      23.94155 
1 1 1 11  7  42 o 108.2285 17.37093 371.6986       106.5301 298.2393       163.7172 425.6411       140.2932 92.43503 27.88394 113.6703 21.83795 -21.23531      35.41765 
1 1 1 11  7  43 o 42.86163 19.07427 -20.99100      96.55451 -190.3238      141.1267 128.0231       132.3891 40.56507 19.59725 66.57026 25.01053 -26.00519      31.77387 
1 1 1 11  7  44 o 126.9583 14.18414 500.7065       103.8099 477.5191       150.7363 521.6258       143.1743 119.2709 22.37085 126.3287 19.98911 -7.057747      30.00032 
1 1 1 11  7  45 o 33.44916 16.40097 -193.5113      109.4835 -354.9099      171.9449 -83.45425      141.9869 39.23612 19.47900 46.55977 21.62641 -7.323650      29.10555 
1 1 1 11  7  46 o 194.1347 11.09715 1146.667       125.8207 1164.072       198.0915 1134.897       162.9007 190.1873 17.97281 190.5793 14.68785 -0.3919830     23.21109 
1 1 1 11  7  47 o 45.30844 20.47796 -31.08431      116.1190 3.806747       198.4734 -49.24303      143.1818 60.26513 27.04485 48.73969 22.30359 11.52544       35.05530 
1 1 1 11  7  48 o 103.9158 21.52548 370.8250       126.8669 96.73662       204.5642 542.1371       161.7254 67.56841 28.94123 125.0867 22.88852 -57.51833      36.89822 
1 1 1 11  8  0  o 1231.286 28.26740 44821.73       2041.245 44349.86       2858.300 45312.88       2916.081 1219.186 40.02916 1232.164 40.40810 -12.97803      56.87836 
1 1 1 11  8  1  o 496.9458 13.03917 7259.153       379.6944 7306.469       528.9954 7208.872       545.3143 498.0044 18.14239 494.5733 18.83476 3.431152       26.15138 
1 1 1 11  8  2  o 354.5363 11.02012 3693.919       228.8601 3513.860       301.8391 3937.423       351.0122 345.4582 14.93333 365.5760 16.41356 -20.11786      22.19030 
1 1 1 11  8  3  o 346.6354 11.31347 3531.597       229.6874 3595.268       311.4532 3455.681       340.0863 349.4242 15.23471 342.3848 16.98959 7.039337       22.81978 
1 1 1 11  8  4  f 887.5291 20.81925 23194.85       1083.673 23825.96       1560.991 22607.75       1505.599 897.1168 29.70984 873.9379 29.41695 23.17896       41.80947 
1 1 1 11  8  5  o 379.2493 16.06614 4235.562       356.5348 4235.562       356.5348 0.000000       0.000000 379.2493 16.06614 ?        ?        0.000000       16.06614 
1 1 1 11  8  6  o 204.3022 12.96929 1230.826       154.5938 1230.826       154.5938 0.000000       0.000000 204.3022 12.96929 ?        ?        0.000000       12.96929 
1 1 1 11  8  7  o 666.4062 14.19092 13047.80       554.6258 13047.80       554.6258 0.000000       0.000000 666.4062 14.19092 ?        ?        0.000000       14.19092 
1 1 1 11  8  8  o 609.1121 13.44889 10898.87       480.4346 10898.87       480.4346 0.000000       0.000000 609.1121 13.44889 ?        ?        0.000000       13.44889 
1 1 1 11  8  9  o 1017.592 25.06498 30555.62       1495.863 30555.62       1495.863 0.000000       0.000000 1017.592 25.06498 ?        ?        0.000000       25.06498 
1 1 1 11  8  10 o 183.7532 26.76538 1017.859       279.9722 1017.859       279.9722 0.000000       0.000000 183.7532 26.76538 ?        ?        0.000000       26.76538 
1 1 1 11  8  11 o 819.1617 21.32128 19785.51       1023.444 19785.51       1023.444 0.000000       0.000000 819.1617 21.32128 ?        ?        0.000000       21.32128 
1 1 1 11  8  12 o 589.6103 16.72329 10234.07       577.6946 0.000000       0.000000 10234.07       577.6946 ?        ?        589.6103 16.72329 0.000000       16.72329 
1 1 1 11  8  13 o 557.5269 10.02114 9125.694       327.6675 9827.308       601.0757 8829.036       390.8489 577.5613 17.76632 548.2373 12.15597 29.32397       21.52695 
1 1 1 11  8  14 o 770.4391 19.97176 17504.63       901.6520 17504.63       901.6520 0.000000       0.000000 770.4391 19.97176 ?        ?        0.000000       19.97176 
1 1 1 11  8  15 o 138.4716 16.71828 572.5005       133.0249 883.1456       244.5912 442.0197       158.5192 171.0415 25.13199 120.3257 23.30530 50.71584       34.27469 
1 1 1 11  8  16 o 731.8734 18.91782 15803.10       811.3220 15803.10       811.3220 0.000000       0.000000 731.8734 18.91782 ?        ?        0.000000       18.91782 
1 1 1 11  8  17 o 150.7790 19.66788 682.2534       169.7782 0.000000       0.000000 682.2534       169.7782 ?        ?        150.7790 19.66788 0.000000       19.66788 
1 1 1 11  8  18 o 201.8039 11.33863 1200.956       133.6566 1061.064       210.8354 1294.950       172.8206 188.5672 19.33825 209.2601 14.16529 -20.69293      23.97130 
1 1 1 11  8  19 o 338.2992 8.109305 3360.872       160.8922 3091.245       261.6232 3524.865       204.0368 323.7094 13.81242 346.1743 10.06061 -22.46487      17.08797 
1 1 1 11  8  20 o 279.5600 8.058867 2297.409       131.9915 2280.746       229.6224 2305.632       161.3036 277.8351 14.13861 279.8918 9.841923 -2.056671      17.22684 
1 1 1 11  8  21 o 363.9466 6.899282 3889.434       147.2625 3738.519       207.4809 4042.638       209.0491 356.4188 9.935528 370.6833 9.624146 -14.26450      13.83253 
1 1 1 11  8  22 o 149.7290 9.990023 662.4233       87.22310 658.9525       144.2531 664.4235       109.5095 148.2947 16.88678 149.6229 12.59655 -1.328156      21.06742 
1 1 1 11  8  23 o 321.8611 8.947273 3048.752       168.7284 3010.404       189.5437 3195.147       370.3389 319.6678 10.12297 327.3683 19.37576 -7.700592      21.86080 
1 1 1 11  8  24 o 348.3586 6.639871 3564.646       135.6553 3699.892       199.9343 3449.270       184.6652 354.4428 9.627048 342.2823 9.207564 12.16052       13.32138 
1 1 1 11  8  25 o 45.00455 18.55560 18.56397       79.20482 -182.2729      130.9178 134.5149       99.47504 40.32187 19.32360 67.90974 21.93065 -27.58786      29.22935 
1 1 1 11  8  26 o 229.7351 7.375641 1553.025       99.24635 1714.076       157.2375 1446.373       127.9557 240.8444 11.16225 221.3884 9.879839 19.45601       14.90661 
1 1 1 11  8  27 o 286.8208 6.889849 2417.631       115.8966 2426.050       172.6289 2410.723       156.3785 286.7549 10.28148 285.9997 9.335624 0.7551575      13.88750 
1 1 1 11  8  28 f 283.7173 7.302496 2367.747       121.4078 2464.838       183.7571 2292.531       161.7363 288.9443 10.86309 278.8080 9.907013 10.13638       14.70224 
1 1 1 11  8  29 o 330.4252 7.561535 3209.866       146.5324 3326.114       215.7915 3110.399       199.6095 335.7009 10.97527 324.7112 10.49553 10.98969       15.18594 
1 1 1 11  8  30 o 430.9717 7.608032 5461.155       192.2966 5461.464       274.8669 5460.858       269.1210 430.2409 10.90210 430.4041 10.66156 -0.1631165     15.24876 
1 1 1 11  8  31 o 234.8019 8.284186 1624.253       113.8993 1615.068       174.7966 1631.032       150.1532 233.3792 12.82011 234.8878 10.92989 -1.508530      16.84689 
1 1 1 11  8  32 o 171.7321 10.57500 873.4484       105.9915 724.5437       159.3605 991.5724       141.9370 154.8425 17.87633 182.5072 13.35307 -27.66470      22.31295 
1 1 1 11  8  33 o 390.6100 7.537629 4490.421       172.6746 4517.067       250.5515 4466.315       238.3061 390.8330 10.94165 388.7694 10.46134 2.063629       15.13801 
1 1 1 11  8  34 o 156.3203 11.74469 727.5067       106.8859 734.5765       165.6444 722.4628       139.9117 155.3750 18.54357 154.8876 15.61530 0.4873962      24.24256 
1 1 1 11  8  35 o 54.35941 21.42495 54.16644       100.4930 -64.01871      163.0089 126.6202       127.6322 54.45751 24.46840 68.88234 24.77661 -14.42483      34.82216 
1 1 1 11  8  36 o 141.3617 13.73639 600.8835       112.4478 566.2241       181.1793 622.5990       143.4114 133.9203 23.94719 142.8525 17.48156 -8.932175      29.64916 
1 1 1 11  8  37 o 50.72736 20.98578 27.60930       101.7720 -34.09793      172.0101 60.84573       126.2389 57.93325 25.63732 59.33960 23.80748 -1.406342      34.98669 
1 1 1 11  8  38 f 46.03537 19.82742 -0.5505604     97.01588 -12.13463      160.9267 6.063214       121.5968 57.35509 25.10947 51.90756 22.27479 5.447529       33.56564 
1 1 1 11  8  39 o 101.7260 16.37348 322.4772       94.36919 166.7701       143.9184 439.9213       124.9906 74.49554 26.36290 118.2490 18.63968 -43.75343      32.28684 
1 1 1 11  8  40 o 59.59683 20.82038 103.4826       89.56095 18.14107       136.1326 168.6089       118.9215 55.17327 23.62019 72.89850 24.00806 -17.72523      33.67937 
1 1 1 11  8  41 o 59.97901 21.28976 104.3003       93.91860 200.9571       148.0416 39.19599       121.4989 78.69510 26.79939 54.70815 22.80614 23.98695       35.18987 
1 1 1 11  8  42 o 181.1680 10.62318 988.1916       112.3767 952.5665       174.1786 1013.595       147.0843 174.2101 17.27520 181.8314 13.89794 -7.621277      22.17172 
1 1 1 11  8  43 o 180.4285 10.74510 982.7044       113.1865 936.8847       179.5298 1012.932       145.8174 171.7653 18.09322 181.5342 13.79961 -9.768921      22.75508 
1 1 1 11  8  44 o 136.8662 17.81235 599.5577       139.5888 560.1987       370.8960 606.0526       150.6665 111.8912 41.89884 136.6306 19.34281 -24.73946      46.14821 
1 1 1 11  8  45 o 103.4031 18.92675 351.2665       110.5500 153.2579       169.3611 498.2683       145.9261 71.43684 27.91564 122.0982 21.14399 -50.66132      35.01930 
1 1 1 11  8  46 f 123.6785 16.77706 490.7361       118.5567 444.7515       189.2210 520.4547       152.1167 108.6793 29.10638 124.0590 21.69698 -15.37968      36.30345 
1 1 1 11  8  47 o 212.6230 10.40020 1372.060       129.2953 1315.752       201.2592 1411.630       168.7173 202.5031 17.10609 213.1825 13.56489 -10.67944      21.83174 
1 1 1 11  8  48 o 45.48893 20.59630 -31.88104      118.0893 -141.1617      203.4162 23.66972       145.0304 52.22255 24.76105 54.77981 23.91266 -2.557266      34.42274 
1 1 1 11  9  0  o 423.7388 11.71874 5276.266       290.9460 5090.671       389.7062 5509.980       437.3167 415.8324 16.00960 432.5072 17.27535 -16.67477      23.55302 
1 1 1 11  9  1  o 312.3997 10.52704 2868.129       192.5958 2830.480       251.9634 2921.042       298.7065 310.0859 13.89021 314.7993 16.23417 -4.713348      21.36553 
1 1 1 11  9  2  o 222.1922 10.59265 1452.547       137.6358 1349.840       174.3691 1622.308       224.1766 213.8963 13.97659 234.3364 16.41556 -20.44016      21.55958 
1 1 1 11  9  3  o 726.0419 17.42763 15502.70       742.0797 15834.30       1059.595 15183.49       1039.609 732.2837 24.70772 717.0493 24.75838 15.23438       34.97783 
1 1 1 11  9  4  o 653.7967 16.01795 12565.15       614.1865 12657.70       865.5814 12471.30       871.6320 655.0308 22.56549 650.1267 22.89619 4.904114       32.14711 
1 1 1 11  9  5  o 285.5837 11.33870 2398.301       189.5323 2572.873       254.2241 2179.854       284.3825 295.5390 14.71361 271.6423 17.95132 23.89673       23.21078 
1 1 1 11  9  6  o 548.6765 12.67074 8841.537       407.7264 8841.537       407.7264 0.000000       0.000000 548.6765 12.67074 ?        ?        0.000000       12.67074 
1 1 1 11  9  7  o 539.9118 12.41210 8561.004       393.0237 8561.004       393.0237 0.000000       0.000000 539.9118 12.41210 ?        ?        0.000000       12.41210 
1 1 1 11  9  8  o 676.8757 14.52393 13463.57       576.5587 13463.57       576.5587 0.000000       0.000000 676.8757 14.52393 ?        ?        0.000000       14.52393 
1 1 1 11  9  9  o 1108.876 21.91748 36235.88       1425.358 36235.88       1425.358 0.000000       0.000000 1108.876 21.91748 ?        ?        0.000000       21.91748 
1 1 1 11  9  10 o 621.6705 17.82229 11380.48       649.1212 11380.48       649.1212 0.000000       0.000000 621.6705 17.82229 ?        ?        0.000000       17.82229 
1 1 1 11  9  11 o 713.7440 13.49852 14968.63       565.0399 15527.28       842.8589 14512.63       761.4953 725.8292 19.81877 701.9237 18.51425 23.90546       27.12123 
1 1 1 11  9  12 o 426.1789 9.725163 5331.914       243.0745 6055.126       461.5013 5054.255       285.9535 453.2847 17.39233 414.6616 11.77039 38.62308       21.00084 
1 1 1 11  9  13 o 887.5021 21.97653 23235.24       1143.876 0.000000       0.000000 23235.24       1143.876 ?        ?        887.5021 21.97653 0.000000       21.97653 
1 1 1 11  9  14 f 1017.038 14.38689 30414.24       858.1330 31645.86       1559.989 29879.85       1027.574 1034.344 25.71615 1007.432 17.39190 26.91235       31.04510 
1 1 1 11  9  15 o 637.6147 9.923771 11938.82       371.0954 11909.53       637.6631 11953.82       456.3305 635.7034 17.11913 637.7809 12.19993 -2.077454      21.02149 
1 1 1 11  9  16 o 540.0129 14.76128 8588.365       467.0584 0.000000       0.000000 8588.365       467.0584 ?        ?        540.0129 14.76128 0.000000       14.76128 
1 1 1 11  9  17 o 433.5558 13.10227 5534.641       332.7696 0.000000       0.000000 5534.641       332.7696 ?        ?        433.5558 13.10227 0.000000       13.10227 
1 1 1 11  9  18 o 215.2349 14.18665 1370.017       178.0798 1443.970       225.3656 1247.082       290.5656 220.5095 17.57173 203.4610 24.86694 17.04852       30.44881 
1 1 1 11  9  19 o 161.8295 10.88241 773.5520       102.6836 583.2764       181.1776 863.5935       124.6334 138.3666 23.14332 170.8409 12.52626 -32.47432      26.31578 
1 1 1 11  9  20 o 490.9207 8.382810 7080.462       241.3523 6979.903       404.3100 7136.136       300.8333 486.3655 14.18946 492.5952 10.41323 -6.229675      17.60045 
1 1 1 11  9  21 o 336.8685 7.684030 3333.645       151.8099 3234.583       258.5318 3385.777       187.5488 330.9644 13.34670 339.2080 9.436694 -8.243561      16.34581 
1 1 1 11  9  22 o 266.4261 8.025749 2087.904       125.2615 1999.688       232.4230 2124.015       148.7055 259.6669 15.33023 268.5631 9.456019 -8.896240      18.01201 
1 1 1 11  9  23 o 95.82139 14.65636 277.4693       79.75060 166.1447       139.8978 331.0633       97.06735 76.87320 26.05354 104.5217 16.37204 -27.64846      30.77061 
1 1 1 11  9  24 o 342.5406 6.592979 3446.756       132.4477 3585.522       196.6803 3331.608       179.1616 348.8900 9.621367 336.3820 9.089914 12.50790       13.23621 
1 1 1 11  9  25 o 208.4647 7.633848 1279.292       93.17352 1361.329       146.1414 1223.108       120.9412 214.5134 11.66015 203.5209 10.16463 10.99255       15.46864 
1 1 1 11  9  26 o 164.3660 8.933731 797.4333       85.79454 668.4326       136.0781 882.5436       110.5307 149.3294 15.77611 172.6653 10.97184 -23.33591      19.21632 
1 1 1 11  9  27 o 383.5485 6.895346 4323.279       155.1054 4423.579       226.3998 4234.563       212.9241 387.3827 9.973479 379.0865 9.584832 8.296173       13.83254 
1 1 1 11  9  28 f 60.58176 20.75617 101.0086       88.82972 -34.55726      145.4560 181.6398       112.1781 53.93382 23.73346 77.23501 23.03167 -23.30119      33.07166 
1 1 1 11  9  29 o 502.1541 7.849131 7414.866       231.1581 7254.189       322.5342 7584.561       331.4624 495.9979 11.08780 507.1522 11.14411 -11.15436      15.72039 
1 1 1 11  9  30 o 174.3441 10.91407 899.8063       111.0351 932.0905       171.3229 876.4244       145.8012 176.3515 16.76624 171.4057 14.64406 4.945816       22.26107 
1 1 1 11  9  31 o 257.2776 7.955943 1949.284       119.9008 1822.169       175.9201 2059.559       163.8529 248.0326 12.13040 264.0321 10.60306 -15.99948      16.11122 
1 1 1 11  9  32 o 149.6449 11.73713 665.8757       102.1850 624.0266       162.8498 693.0540       131.2365 142.9543 19.96809 152.0573 14.90761 -9.103043      24.91910 
1 1 1 11  9  33 o 90.42802 19.78934 255.0959       102.0290 176.1087       165.2422 303.7639       129.7073 79.74632 28.24591 98.20284 22.93791 -18.45652      36.38652 
1 1 1 11  9  34 o 152.8261 12.79771 697.7063       113.6521 429.4706       165.1068 939.2622       156.6807 116.3880 24.93867 176.8561 15.25480 -60.46806      29.23433 
1 1 1 11  9  35 o 322.2602 7.754840 3059.784       146.5649 3113.597       213.6562 3011.953       201.4317 324.0451 11.25952 318.8508 10.78737 5.194275       15.59308 
1 1 1 11  9  36 o 197.1458 10.33014 1153.780       119.0218 1221.157       184.2691 1105.547       155.9078 201.2515 15.73721 192.0079 13.94011 9.243683       21.02348 
1 1 1 11  9  37 f 61.93295 21.67024 107.7298       97.04448 -28.82832      159.8954 187.3670       122.1055 56.11225 24.77994 77.40353 24.21728 -21.29128      34.64854 
1 1 1 11  9  38 o 179.1252 10.04515 956.2275       105.1042 947.4715       166.9589 961.9754       135.2721 176.0022 16.36227 178.7079 12.99547 -2.705688      20.89512 
1 1 1 11  9  39 o 173.7987 10.58127 904.2100       107.3426 735.1383       162.7112 1034.497       142.8344 153.4295 18.45240 184.8959 13.26015 -31.46638      22.72273 
1 1 1 11  9  40 o 96.15230 18.53730 295.2530       100.7444 300.9825       155.9474 291.1493       131.9812 94.04350 26.91183 93.40198 23.97433 0.6415253      36.04185 
1 1 1 11  9  41 o 186.4852 9.582049 1040.124       104.4467 996.5800       159.0924 1073.110       138.4661 179.8819 15.22316 188.0909 12.62548 -8.209030      19.77744 
1 1 1 11  9  42 o 172.4250 10.26619 894.4562       103.3449 982.7438       164.8864 837.3345       132.6280 177.6508 15.99702 165.1219 13.82229 12.52890       21.14144 
1 1 1 11  9  43 o 113.2277 16.31885 405.5461       105.2414 249.2352       165.9109 510.7857       136.1351 84.43396 28.37266 125.7516 19.05524 -41.31763      34.17762 
1 1 1 11  9  44 o 141.3829 13.99911 620.1716       114.5551 568.1243       178.6688 656.5025       149.2753 128.3412 24.63285 142.8967 18.22640 -14.55547      30.64276 
1 1 1 11  9  45 o 55.61234 23.79549 36.44088       138.0266 -189.7739      355.4246 76.61502       149.7823 67.39635 32.17365 61.21370 25.40360 6.182659       40.99374 
1 1 1 11  9  46 o 95.74642 20.79406 310.7243       113.4142 103.5384       189.2920 426.7513       141.6549 67.46944 28.31972 111.5051 22.43917 -44.03562      36.13202 
1 1 1 11  9  47 o 48.91831 23.33044 -159.7454      185.9670 -269.3811      202.5690 428.0562       469.0428 46.66050 22.75636 96.51157 42.53851 -49.85107      48.24289 
1 1 1 11  9  48 o 103.6647 20.58613 365.6583       120.7427 347.8734       125.6343 580.7958       436.9588 100.0783 22.00539 104.2038 43.32930 -4.125504      48.59697 
1 1 1 11  10 0  o 992.8398 23.00698 29052.76       1339.643 27937.03       1831.109 30337.68       1965.059 970.7119 32.20885 1011.267 33.17779 -40.55524      46.24041 
1 1 1 11  10 1  f 192.1431 10.89550 1087.314       122.2754 1150.491       152.8711 975.1097       203.7288 197.4646 13.27753 180.9882 19.50079 16.47649       23.59181 
1 1 1 11  10 2  o 287.8472 10.42011 2435.375       175.6174 2463.892       227.5317 2393.352       276.2061 289.3053 13.44698 284.8303 16.60674 4.475006       21.36832 
1 1 1 11  10 3  o 116.1515 15.28396 403.2988       101.5906 480.7111       122.3571 231.5052       182.2752 126.7555 16.87842 90.43325 29.71989 36.32222       34.17825 
1 1 1 11  10 4  f 721.4378 17.38382 15307.14       735.5201 15129.98       1022.497 15497.11       1058.818 715.8270 24.39150 724.3520 24.96150 -8.525024      34.90017 
1 1 1 11  10 5  o 408.1873 9.632021 4890.305       230.5831 4891.633       273.4123 4887.035       429.1034 408.0068 11.43744 407.1927 18.01307 0.8140869      21.33742 
1 1 1 11  10 6  o 99.46999 24.23316 303.4643       140.0461 303.4643       140.0461 0.000000       0.000000 99.46999 24.23316 ?        ?        0.000000       24.23316 
1 1 1 11  10 7  o 960.6919 19.12881 27164.84       1077.761 27164.84       1077.761 0.000000       0.000000 960.6919 19.12881 ?        ?        0.000000       19.12881 
1 1 1 11  10 8  f 289.2839 13.39406 2463.804       226.6244 2463.804       226.6244 0.000000       0.000000 289.2839 13.39406 ?        ?        0.000000       13.39406 
1 1 1 11  10 9  o 392.0296 12.20197 4518.242       280.2013 4518.242       280.2013 0.000000       0.000000 392.0296 12.20197 ?        ?        0.000000       12.20197 
1 1 1 11  10 10 o 683.1992 15.12356 13722.07       605.9713 13722.07       605.9713 0.000000       0.000000 683.1992 15.12356 ?        ?        0.000000       15.12356 
1 1 1 11  10 11 o 162.4346 21.66833 791.4659       201.2772 443.6283       283.3028 1145.994       286.0145 121.5341 36.68425 195.3211 25.58260 -73.78699      44.72363 
1 1 1 11  10 12 o 439.6119 14.39468 5687.569       370.6261 0.000000       0.000000 5687.569       370.6261 ?        ?        439.6119 14.39468 0.000000       14.39468 
1 1 1 11  10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  10 14 o 811.4832 20.21548 19422.25       962.0867 0.000000       0.000000 19422.25       962.0867 ?        ?        811.4832 20.21548 0.000000       20.21548 
1 1 1 11  10 15 o 255.0370 9.160173 1912.347       136.7891 2191.846       244.6319 1785.205       164.9934 272.4549 15.37210 246.2136 11.45768 26.24130       19.17237 
1 1 1 11  10 16 o 436.4681 14.39647 5613.156       368.0140 5613.156       368.0140 0.000000       0.000000 436.4681 14.39647 ?        ?        0.000000       14.39647 
1 1 1 11  10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  10 18 o 308.6748 8.841072 2801.171       159.8854 2781.372       249.9379 2814.886       208.0151 306.9984 13.91799 309.1571 11.49269 -2.158691      18.04972 
1 1 1 11  10 19 o 51.56523 20.42024 42.81720       91.68346 -83.68055      174.8713 90.77052       107.6679 56.18948 25.28669 61.75840 22.67626 -5.568920      33.96512 
1 1 1 11  10 20 f 370.5582 10.44641 4042.374       226.7985 3893.685       281.8841 4315.317       381.9165 363.2379 13.25433 381.6382 17.10690 -18.40027      21.64078 
1 1 1 11  10 21 o 289.9560 7.752734 2471.925       131.7188 2523.040       242.2709 2450.475       156.9407 292.0414 14.18756 288.5282 9.286730 3.513245       16.95671 
1 1 1 11  10 22 o 62.41855 20.46885 111.4542       86.48011 39.87397       193.3165 129.3629       96.69508 69.28272 28.81534 66.82216 21.62561 2.460564       36.02764 
1 1 1 11  10 23 o 199.0223 8.700803 1167.111       101.3120 1053.334       190.9861 1211.665       119.5133 187.6246 17.56050 202.6279 10.08868 -15.00328      20.25223 
1 1 1 11  10 24 o 415.2272 6.861956 5065.935       167.1030 4909.917       233.5259 5229.647       239.2154 408.3682 9.750628 421.4674 9.677755 -13.09918      13.73804 
1 1 1 11  10 25 o 214.3530 7.567987 1352.462       94.99014 1442.647       150.9165 1293.292       122.2424 220.8272 11.69459 209.3085 9.987092 11.51866       15.37873 
1 1 1 11  10 26 o 461.9469 7.120887 6272.170       192.9197 6274.986       273.6153 6269.387       272.0508 461.5049 10.10913 461.3103 10.05556 0.1945190      14.25864 
1 1 1 11  10 27 o 177.9626 9.194356 934.7704       95.63692 754.1502       152.7305 1051.273       122.6621 158.5180 16.67803 188.4809 11.14644 -29.96291      20.05990 
1 1 1 11  10 28 o 63.44484 21.30253 113.5534       93.52840 19.05612       167.7361 156.1895       112.6693 62.94218 26.55268 72.79104 23.32421 -9.848858      35.34209 
1 1 1 11  10 29 o 174.7419 10.76352 903.5276       109.7714 1128.946       184.0009 778.9670       136.7777 194.3713 16.29099 161.5570 14.59291 32.81433       21.87120 
1 1 1 11  10 30 o 34.70996 16.65532 -139.6358      97.94948 0.4583214E-01  157.2401 -228.2074      125.2106 59.24166 25.37416 36.57904 17.85090 22.66262       31.02423 
1 1 1 11  10 31 o 57.16894 21.16852 77.74973       94.16177 -23.41471      157.2040 134.3527       117.5897 57.03571 24.89675 69.42664 23.87782 -12.39092      34.49635 
1 1 1 11  10 32 o 53.92228 21.25887 51.77700       98.96679 46.16250       163.8575 55.00134       124.1743 64.57738 26.66355 58.93119 23.62284 5.646194       35.62280 
1 1 1 11  10 33 o 272.1551 8.174026 2183.873       130.3198 2038.448       193.3143 2305.017       176.4396 261.9341 12.62122 279.0471 10.80163 -17.11295      16.61235 
1 1 1 11  10 34 o 282.9221 8.198201 2360.971       135.8869 2317.213       195.6731 2401.733       188.8545 279.3660 11.97057 284.6041 11.33719 -5.238037      16.48717 
1 1 1 11  10 35 o 59.83407 25.89046 -5.064062      166.9354 69.40477       182.7598 -380.0843      410.1293 69.17803 28.31767 74.43619 35.25396 -5.258156      45.21872 
1 1 1 11  10 36 o 53.19856 21.35552 45.95760       101.6343 -19.61157      166.7881 84.68536       128.1818 58.31838 25.54610 62.77497 24.35507 -4.456589      35.29551 
1 1 1 11  10 37 o 231.1385 8.595849 1582.066       116.3200 1553.626       178.3942 1603.101       153.4189 227.4565 13.43290 231.8476 11.31722 -4.391068      17.56481 
1 1 1 11  10 38 o 181.3373 9.731929 979.7055       103.1199 944.7802       156.4609 1006.528       137.1140 176.0401 15.30658 182.7431 12.87595 -6.703064      20.00204 
1 1 1 11  10 39 o 143.6896 12.01860 623.3988       100.3545 615.5404       154.5052 629.1334       131.9858 139.6705 19.38376 142.7867 16.03813 -3.116196      25.15854 
1 1 1 11  10 40 o 74.61897 20.45078 181.1464       92.14113 203.8972       149.7155 167.2752       116.9033 79.37898 26.95172 72.42267 23.80109 6.956314       35.95673 
1 1 1 11  10 41 f 78.72822 20.36072 203.5772       94.70629 163.0440       163.6159 224.0005       116.1405 74.16354 27.81659 81.85167 23.15917 -7.688133      36.19544 
1 1 1 11  10 42 o 217.3928 9.467490 1415.663       120.4170 1470.567       189.9508 1378.774       155.7015 218.2154 14.93243 212.8638 12.52751 5.351517       19.49143 
1 1 1 11  10 43 o 106.1335 17.45231 361.2404       104.8590 613.4544       164.7087 189.3503       135.9745 136.3980 21.28484 75.26154 25.68285 61.13651       33.35646 
1 1 1 11  10 44 o 66.05452 22.61156 141.0491       105.4149 92.52422       168.7328 172.1132       135.0039 65.20665 27.00294 72.19012 25.53465 -6.983475      37.16419 
1 1 1 11  10 45 o 65.67371 22.88426 139.9778       108.1577 201.6038       186.8047 108.9015       132.6541 77.40102 29.56403 63.00137 24.68049 14.39966       38.51180 
1 1 1 11  10 46 o 67.62329 25.21097 145.3906       133.9873 145.3906       133.9873 0.000000       0.000000 67.62329 25.21097 ?        ?        0.000000       25.21097 
1 1 1 11  10 47 o 112.3749 20.44286 426.1085       129.7674 405.6912       132.5302 900.5571       638.8674 108.8290 21.52717 113.7142 49.89934 -4.885147      54.34485 
1 1 1 11  10 48 o 42.01395 19.74923 -92.61240      124.3546 -94.96767      126.9860 -37.54145      614.0391 42.36953 19.92909 82.67953 40.16339 -40.31000      44.83599 
1 1 1 11  11 0  o 631.2641 15.43971 11712.86       571.6113 11689.09       797.4888 11737.98       819.7309 629.5463 21.63177 630.7679 22.19363 -1.221680      30.99179 
1 1 1 11  11 1  o 702.7626 16.89897 14523.17       696.4973 14587.06       979.3391 14457.79       990.7518 702.9413 23.78974 699.7390 24.17860 3.202332       33.91986 
1 1 1 11  11 2  o 203.1126 10.80447 1214.560       128.2406 1223.931       153.3295 1192.744       233.9465 203.7260 12.89925 200.2730 20.19336 3.452972       23.96169 
1 1 1 11  11 3  o 246.8274 10.68692 1791.896       154.3356 1779.278       193.1242 1814.195       256.7430 245.7389 13.45153 247.7087 17.79135 -1.969833      22.30417 
1 1 1 11  11 4  o 208.6666 11.51231 1282.392       140.3395 1337.717       171.7779 1171.346       243.3648 212.9341 13.83017 198.2914 21.25827 14.64262       25.36115 
1 1 1 11  11 5  o 178.3329 19.77292 947.6434       203.3300 655.8762       320.4695 1144.238       263.0595 145.7697 37.32764 195.6221 23.39217 -49.85248      44.05163 
1 1 1 11  11 6  o 219.3961 13.77138 1419.812       176.3033 1419.812       176.3033 0.000000       0.000000 219.3961 13.77138 ?        ?        0.000000       13.77138 
1 1 1 11  11 7  o 298.9241 12.89908 2629.736       225.6039 2629.736       225.6039 0.000000       0.000000 298.9241 12.89908 ?        ?        0.000000       12.89908 
1 1 1 11  11 8  o 269.5539 14.17570 2141.169       223.3117 2141.169       223.3117 0.000000       0.000000 269.5539 14.17570 ?        ?        0.000000       14.17570 
1 1 1 11  11 9  f 555.9835 13.30253 9082.614       433.7573 9082.614       433.7573 0.000000       0.000000 555.9835 13.30253 ?        ?        0.000000       13.30253 
1 1 1 11  11 10 o 823.3687 17.39337 19950.46       839.9020 19950.46       839.9020 0.000000       0.000000 823.3687 17.39337 ?        ?        0.000000       17.39337 
1 1 1 11  11 11 o 338.7352 17.69966 3386.796       350.4019 3386.796       350.4019 0.000000       0.000000 338.7352 17.69966 ?        ?        0.000000       17.69966 
1 1 1 11  11 12 o 590.6993 9.003655 10242.65       311.9147 10137.08       469.0990 10326.33       417.6057 587.2475 13.62049 592.8631 12.01051 -5.615601      18.15958 
1 1 1 11  11 13 o 490.1053 8.991207 7051.718       258.4389 6972.700       441.2151 7092.988       318.8650 486.5633 15.48152 491.3933 11.06438 -4.830017      19.02887 
1 1 1 11  11 14 f 385.7467 12.90522 4379.677       291.5453 0.000000       0.000000 4379.677       291.5453 ?        ?        385.7467 12.90522 0.000000       12.90522 
1 1 1 11  11 15 o 290.1608 12.55061 2480.310       213.0718 0.000000       0.000000 2480.310       213.0718 ?        ?        290.1608 12.55061 0.000000       12.55061 
1 1 1 11  11 16 o 81.80923 26.02884 195.3139       140.5083 0.000000       0.000000 195.3139       140.5083 ?        ?        81.80923 26.02884 0.000000       26.02884 
1 1 1 11  11 17 o 358.7906 11.68241 3790.069       245.4961 0.000000       0.000000 3790.069       245.4961 ?        ?        358.7906 11.68241 0.000000       11.68241 
1 1 1 11  11 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  11 19 o 511.3891 8.480507 7683.958       254.3454 7801.806       444.6270 7626.638       310.0924 514.0546 14.76339 509.2264 10.38316 4.828156       18.04904 
1 1 1 11  11 20 o 429.1088 7.964179 5410.130       200.4283 5708.824       366.5728 5282.758       239.3780 439.6242 14.23643 423.8354 9.630226 15.78879       17.18771 
1 1 1 11  11 21 o 42.93382 18.51329 -7.988768      84.77415 114.9015       187.9284 -39.38433      94.98779 76.00638 29.48947 42.11343 18.81827 33.89295       34.98223 
1 1 1 11  11 22 o 326.2141 7.513511 3127.085       143.7461 3050.712       250.7603 3164.465       175.4313 321.2090 13.34034 327.8677 9.132322 -6.658722      16.16675 
1 1 1 11  11 23 o 240.9792 7.887431 1708.991       111.3218 1592.308       206.5640 1756.751       132.1552 231.4330 15.30467 244.1646 9.245632 -12.73160      17.88057 
1 1 1 11  11 24 o 87.12016 17.05134 232.9461       84.00156 143.7396       170.6899 261.4561       96.49563 76.89246 28.49545 92.15324 18.49793 -15.26078      33.97299 
1 1 1 11  11 25 o 251.5062 7.080638 1860.619       104.3372 1909.486       163.9334 1827.345       135.2729 254.2384 11.02068 248.9694 9.280579 5.269028       14.40780 
1 1 1 11  11 26 o 307.8444 6.857930 2785.029       123.8154 2732.877       187.9449 2825.017       164.5759 304.3169 10.54656 309.6628 9.071836 -5.345825      13.91144 
1 1 1 11  11 27 o 253.9189 7.535993 1897.222       112.0999 1859.855       178.5587 1921.530       144.0186 250.7023 12.18075 255.2622 9.637447 -4.559937      15.53226 
1 1 1 11  11 28 o 147.4043 12.17636 645.7079       104.3255 477.2729       176.8440 735.6156       129.2029 123.7038 25.23159 157.0496 14.18025 -33.34588      28.94327 
1 1 1 11  11 29 o 254.0695 8.191035 1900.810       121.8917 1872.917       187.7263 1921.142       160.2724 251.4471 12.77182 255.0461 10.73897 -3.599014      16.68667 
1 1 1 11  11 30 o 193.5981 9.430643 1106.642       106.7541 932.7559       172.5204 1214.537       135.8962 176.2974 16.89208 202.5127 11.48920 -26.21527      20.42900 
1 1 1 11  11 31 o 227.7317 8.699513 1529.483       115.9764 1463.446       182.1269 1574.525       150.4159 221.7280 14.07834 230.6477 11.15278 -8.919678      17.96063 
1 1 1 11  11 32 o 126.4314 16.14334 483.9192       116.9745 366.9062       283.9354 507.8388       128.3748 109.2822 37.11599 129.2565 17.37427 -19.97430      40.98124 
1 1 1 11  11 33 o 38.08001 17.84513 -97.94473      100.1974 -200.1996      165.5124 -38.79179      125.8858 46.43673 22.10849 49.12739 21.82600 -2.690659      31.06702 
1 1 1 11  11 34 o 52.43524 21.10719 41.73494       99.57649 29.19182       162.7667 49.23733       125.8817 62.37128 26.22520 58.26377 23.63178 4.107510       35.30188 
1 1 1 11  11 35 o 151.3299 12.05684 684.1209       106.1220 862.4091       174.2202 578.9465       133.8111 168.2965 17.92674 137.8643 16.90293 30.43211       24.63893 
1 1 1 11  11 36 o 79.67693 27.13652 190.4819       151.7903 184.5691       164.2410 225.1042       397.4322 79.74799 28.16820 101.3577 41.65425 -21.60969      50.28443 
1 1 1 11  11 37 o 86.70809 19.77224 239.5196       98.30895 103.4057       160.3102 321.5599       124.4583 68.70733 27.06634 100.0830 21.82053 -31.37569      34.76668 
1 1 1 11  11 38 o 87.92737 20.00578 248.5848       100.8332 305.5833       165.4092 214.8777       127.2006 95.34724 27.84716 81.25932 24.59244 14.08791       37.15174 
1 1 1 11  11 39 o 87.25624 19.35478 245.2718       96.45178 327.5974       163.5669 201.3853       119.4245 98.03909 27.39424 78.48543 23.84476 19.55366       36.31828 
1 1 1 11  11 40 o 37.64541 17.40719 -63.65759      90.44356 -4.718552      166.2368 -88.43954      107.7937 57.77301 25.39934 39.90498 18.63805 17.86803       31.50402 
1 1 1 11  11 41 o 171.6738 10.21946 885.5243       102.4266 782.6212       160.6577 955.9943       132.9503 157.6278 17.68327 177.1657 12.88360 -19.53793      21.87888 
1 1 1 11  11 42 o 318.1634 7.997111 3012.809       149.1041 3017.691       222.9290 3008.856       200.5690 315.4685 12.07153 316.0147 10.83800 -0.5461731     16.22295 
1 1 1 11  11 43 o 69.99270 22.25382 162.4047       102.7221 149.1676       179.7702 168.8220       125.1691 72.42697 28.62158 71.67439 24.63591 0.7525787      37.76405 
1 1 1 11  11 44 o 149.4284 13.75193 692.2766       119.1660 673.1393       125.1217 879.0633       390.9003 146.7531 14.73693 136.5373 43.41162 10.21587       45.84481 
1 1 1 11  11 45 o 43.40617 19.63094 -33.60399      106.9163 -7.364513      111.5718 -328.4911      374.0284 46.79850 20.68170 64.26910 31.24900 -17.47061      37.47309 
1 1 1 11  11 46 o 80.96821 23.13581 230.5865       115.3386 241.4866       121.3258 128.2522       371.7486 82.53597 23.77457 80.38185 36.45410 2.154121       43.52162 
1 1 1 11  11 47 o 126.3782 17.90144 521.6527       128.9723 575.5613       133.3461 -259.8929      507.7252 133.1140 17.50450 73.91461 36.04359 59.19940       40.06929 
1 1 1 11  12 0  o 1180.028 27.13568 41141.70       1877.947 41148.39       2651.135 41134.96       2660.527 1175.047 38.52240 1174.784 38.66795 0.2630615      54.58191 
1 1 1 11  12 1  o 413.8682 11.71935 5033.906       284.1703 4871.753       375.7718 5250.514       434.3089 406.7732 15.78142 422.1123 17.58216 -15.33914      23.62595 
1 1 1 11  12 2  o 832.7567 19.64485 20416.81       959.4389 20191.81       1335.684 20656.67       1379.059 826.1052 27.60758 835.4136 28.18728 -9.308350      39.45505 
1 1 1 11  12 3  o 295.4718 10.98940 2566.830       190.1004 2601.317       239.5222 2508.133       312.4825 297.2309 13.77795 291.3731 18.37995 5.857788       22.97073 
1 1 1 11  12 4  o 305.8142 11.35265 2749.927       203.2596 2937.137       264.0455 2477.640       318.4404 315.8228 14.29262 289.5269 18.85636 26.29590       23.66097 
1 1 1 11  12 5  o 361.4136 10.14300 3837.494       214.7790 3891.301       254.7184 3705.126       399.5168 363.8081 11.95439 354.2360 19.30350 9.572144       22.70534 
1 1 1 11  12 6  o 703.7485 12.94358 14549.45       534.2227 14405.48       621.9368 14954.60       1043.338 700.0225 15.14899 711.2733 25.05051 -11.25085      29.27491 
1 1 1 11  12 7  o 489.7899 12.82672 7052.349       368.1308 7052.349       368.1308 0.000000       0.000000 489.7899 12.82672 ?        ?        0.000000       12.82672 
1 1 1 11  12 8  o 501.0709 17.45742 7397.165       512.2310 7397.165       512.2310 0.000000       0.000000 501.0709 17.45742 ?        ?        0.000000       17.45742 
1 1 1 11  12 9  o 417.0393 12.29471 5113.713       300.3802 5113.713       300.3802 0.000000       0.000000 417.0393 12.29471 ?        ?        0.000000       12.29471 
1 1 1 11  12 10 o 606.8834 13.95398 10826.61       496.6539 10826.61       496.6539 0.000000       0.000000 606.8834 13.95398 ?        ?        0.000000       13.95398 
1 1 1 11  12 11 o 539.2390 12.96768 8545.651       410.1040 8545.651       410.1040 0.000000       0.000000 539.2390 12.96768 ?        ?        0.000000       12.96768 
1 1 1 11  12 12 o 207.9764 13.12901 1276.512       159.3216 1287.892       237.3903 1267.185       214.9124 208.0839 19.68651 206.6437 17.90993 1.440231       26.61436 
1 1 1 11  12 13 o 673.8821 9.717229 13336.22       384.0404 12843.21       560.2387 13773.25       527.4714 660.7145 14.45802 684.4142 13.14103 -23.69965      19.53768 
1 1 1 11  12 14 o 461.2359 11.04866 6251.644       298.8706 6226.692       517.1685 6264.156       366.2141 458.9222 19.25789 461.2520 13.55244 -2.329834      23.54857 
1 1 1 11  12 15 o 346.2966 11.80632 3530.081       239.4294 0.000000       0.000000 3530.081       239.4294 ?        ?        346.2966 11.80632 0.000000       11.80632 
1 1 1 11  12 16 o 332.6538 8.725184 3252.445       170.0758 3538.050       277.0939 3079.813       215.4293 346.3953 13.66651 323.4337 11.37485 22.96158       17.78090 
1 1 1 11  12 17 o 320.1605 10.73947 3017.410       201.3659 3019.576       256.2820 3013.917       325.5282 319.8905 13.69216 318.9664 17.46844 0.9241028      22.19508 
1 1 1 11  12 18 f 201.8686 8.598033 1199.497       101.5600 1280.676       202.9066 1172.362       117.3125 207.5333 16.81475 199.4276 10.06269 8.105728       19.59576 
1 1 1 11  12 19 o 117.1387 13.08260 409.3816       88.34354 620.5021       193.7784 353.9881       99.25894 142.3795 24.06294 108.2980 16.11832 34.08146       28.96248 
1 1 1 11  12 20 o 366.6136 7.670408 3948.987       164.9216 3877.384       287.1076 3984.249       201.4783 362.2803 13.53673 367.9557 9.344022 -5.675354      16.44852 
1 1 1 11  12 21 o 274.6382 11.49468 2226.183       184.7341 2132.915       218.8636 2457.255       344.4940 268.3991 13.95196 286.5712 20.63557 -18.17212      24.90951 
1 1 1 11  12 22 o 348.2515 7.617864 3564.470       155.5882 3440.808       264.2208 3630.112       192.5032 341.1251 13.23206 351.1174 9.356690 -9.992310      16.20602 
1 1 1 11  12 23 o 322.5659 7.510436 3058.503       142.0804 2886.132       242.5205 3148.580       175.3169 312.2688 13.27275 326.9634 9.151697 -14.69458      16.12202 
1 1 1 11  12 24 o 264.2810 7.575066 2055.058       117.2883 1923.334       202.9150 2121.149       143.7312 254.6874 13.63459 268.2942 9.147974 -13.60683      16.41912 
1 1 1 11  12 25 o 311.3964 7.543938 2850.951       137.7724 2832.273       237.8237 2860.385       169.0228 309.2775 13.14157 311.5681 9.260278 -2.290649      16.07650 
1 1 1 11  12 26 o 209.0336 7.974666 1286.921       97.58475 1203.047       164.7035 1332.291       121.1361 201.1581 14.04925 212.4657 9.747487 -11.30759      17.09956 
1 1 1 11  12 27 o 26.09657 13.10188 -259.5907      87.98437 -405.5551      166.5012 -203.0408      103.6358 38.33143 19.05319 32.61481 15.98466 5.716621       24.87033 
1 1 1 11  12 28 o 268.1233 8.116506 2116.406       127.4834 2264.813       206.9721 2025.683       161.8243 276.5813 12.79431 261.9497 10.55518 14.63156       16.58632 
1 1 1 11  12 29 o 250.3140 8.038183 1845.008       117.8502 1829.998       193.6563 1853.836       148.5170 248.3897 13.34272 250.6084 10.12570 -2.218689      16.74986 
1 1 1 11  12 30 o 308.3071 7.564867 2795.901       136.7840 2643.141       200.5186 2928.851       187.0650 298.9591 11.45769 315.0076 10.13881 -16.04852      15.29948 
1 1 1 11  12 31 o 180.8699 10.09922 968.0850       106.7030 908.8204       180.5611 999.8880       132.2698 173.5001 18.00645 183.4159 12.36859 -9.915833      21.84524 
1 1 1 11  12 32 o 103.0613 17.04481 325.4678       99.42587 269.4346       176.2934 351.6035       120.4011 93.10797 29.09409 106.4538 20.01960 -13.34583      35.31643 
1 1 1 11  12 33 o 78.24734 21.05125 191.7409       98.70644 72.72325       165.8800 256.9843       122.8165 67.32924 27.19299 90.16404 23.11847 -22.83480      35.69205 
1 1 1 11  12 34 o 50.35165 20.58679 31.33324       96.45020 -89.96026      166.2175 92.90545       118.4269 53.13405 24.20584 62.76813 23.63929 -9.634075      33.83399 
1 1 1 11  12 35 o 238.8278 12.91902 1702.885       180.2790 1648.699       197.8405 1968.091       437.6882 234.4606 14.45814 247.0999 30.87428 -12.63937      34.09192 
1 1 1 11  12 36 o 169.0684 10.75052 852.0025       106.0442 877.2854       179.3976 838.4236       131.4724 169.0031 18.39625 166.9202 13.54631 2.082947       22.84566 
1 1 1 11  12 37 o 322.2254 10.41162 3091.308       196.4980 3265.408       223.0482 2487.822       415.2722 330.6274 11.52056 278.4940 25.71561 52.13345       28.17828 
1 1 1 11  12 38 o 123.3615 14.20828 465.5960       100.9195 343.5933       160.6913 545.0595       129.6855 100.9630 26.72412 132.4378 17.09498 -31.47484      31.72407 
1 1 1 11  12 39 f 42.58644 18.84776 -19.62062      92.98965 -167.4265      159.9548 55.83427       114.2865 45.89435 21.81721 55.69242 22.54318 -9.798065      31.37173 
1 1 1 11  12 40 o 107.8516 15.33924 362.2631       94.29199 373.7643       162.7783 356.4550       115.6761 104.2709 26.55152 105.1961 19.46645 -0.9252167     32.92303 
1 1 1 11  12 41 o 62.46621 21.27878 120.8164       93.33231 301.8946       175.2448 49.11784       110.2726 92.26180 29.03302 53.63712 21.98081 38.62467       36.41528 
1 1 1 11  12 42 o 47.72787 22.64750 -156.0638      170.8158 -75.51833      186.9055 -564.3878      420.8275 54.96062 25.27304 64.03408 31.54686 -9.073460      40.42191 
1 1 1 11  12 43 o 162.8986 12.45654 812.5036       118.1024 812.9080       122.9864 807.7128       423.2896 162.6346 13.00239 128.7228 45.24159 33.91176       47.07296 
1 1 1 11  12 44 o 74.96321 23.83510 193.3150       117.8379 152.3102       123.3692 620.0819       398.0013 68.49544 24.39143 113.1211 43.16640 -44.62569      49.58104 
1 1 1 11  12 45 o 176.0419 12.59998 954.0869       129.2276 1006.264       136.1351 478.7251       410.9069 180.5802 12.94011 101.4373 42.08451 79.14291       44.02900 
1 1 1 11  12 46 o 50.90314 21.53855 34.99445       110.9118 68.61401       115.1897 -392.5849      410.7957 55.55322 22.57882 64.67221 31.72250 -9.118988      38.93739 
1 1 1 11  12 47 o 49.06976 21.47476 8.205351       117.6185 18.90660       122.1552 -127.8876      435.6250 50.88580 22.08240 73.31987 35.16682 -22.43407      41.52514 
1 1 1 11  13 0  o 237.0693 10.86679 1653.605       150.6851 1757.164       186.3345 1457.890       256.1593 244.2199 13.05700 221.6173 19.92096 22.60255       23.81868 
1 1 1 11  13 1  o 202.1526 11.18836 1203.617       132.1293 1225.245       158.5942 1154.542       238.8974 203.7797 13.34356 196.8530 21.01755 6.926758       24.89554 
1 1 1 11  13 2  o 118.1721 15.05390 417.0951       101.9661 422.3254       114.5717 397.1726       223.6062 118.6393 16.94742 114.1757 32.07549 4.463608       36.27743 
1 1 1 11  13 3  o 42.06158 18.62892 -31.49122      91.00302 34.15905       98.03312 -440.6032      244.7235 51.83228 20.91523 51.57682 25.12255 0.2554550      32.68929 
1 1 1 11  13 4  o 614.6306 11.95047 11095.24       430.7743 11079.26       509.0921 11135.50       808.3190 613.9939 14.13780 614.1083 22.48127 -0.1144409     26.55720 
1 1 1 11  13 5  o 478.7139 10.77247 6728.873       302.4417 6598.324       356.9917 7060.835       569.2680 473.7418 12.86080 489.2108 19.88273 -15.46902      23.67959 
1 1 1 11  13 6  o 408.2495 10.23087 4896.324       244.7633 4864.465       289.0088 4977.140       460.3043 406.7667 12.12832 410.6686 19.16471 -3.901917      22.68000 
1 1 1 11  13 7  o 406.6701 12.01463 4862.163       286.2375 4862.163       286.2375 0.000000       0.000000 406.6701 12.01463 ?        ?        0.000000       12.01463 
1 1 1 11  13 8  o 808.1261 16.49874 19214.94       781.9528 19214.94       781.9528 0.000000       0.000000 808.1261 16.49874 ?        ?        0.000000       16.49874 
1 1 1 11  13 9  o 326.7736 15.19884 3147.261       290.4801 3147.261       290.4801 0.000000       0.000000 326.7736 15.19884 ?        ?        0.000000       15.19884 
1 1 1 11  13 10 o 803.7129 27.12040 19150.71       1276.512 19150.71       1276.512 0.000000       0.000000 803.7129 27.12040 ?        ?        0.000000       27.12040 
1 1 1 11  13 11 o 198.9378 17.75283 1174.990       204.9523 1174.990       204.9523 0.000000       0.000000 198.9378 17.75283 ?        ?        0.000000       17.75283 
1 1 1 11  13 12 o 335.7742 7.790718 3309.306       153.4176 3330.413       218.0936 3288.630       215.8543 336.4963 11.06632 334.3806 11.02207 2.115692       15.61888 
1 1 1 11  13 13 o 713.5612 11.97883 14968.67       501.2980 12876.19       909.0463 15883.08       600.9293 659.0152 23.55805 734.7026 13.94637 -75.68744      27.37668 
1 1 1 11  13 14 o 154.2050 11.17788 702.6251       100.4038 744.8293       148.6680 667.2330       136.1422 158.1497 16.26011 149.6720 15.74519 8.477692       22.63409 
1 1 1 11  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  13 16 o 433.3179 12.26711 5529.913       311.4311 0.000000       0.000000 5529.913       311.4311 ?        ?        433.3179 12.26711 0.000000       12.26711 
1 1 1 11  13 17 o 278.7927 8.364472 2285.452       136.6089 2947.406       271.7004 2061.494       158.0377 315.8005 14.71031 264.5853 10.20374 51.21521       17.90278 
1 1 1 11  13 18 o 371.2222 7.720198 4048.070       168.0788 3978.549       301.1468 4079.525       202.5645 367.0223 14.01632 372.5177 9.271841 -5.495361      16.80549 
1 1 1 11  13 19 o 191.8603 8.671039 1084.254       97.31568 802.0555       210.8677 1160.623       109.6960 162.5302 22.74384 198.4345 9.453088 -35.90434      24.63013 
1 1 1 11  13 20 o 505.1365 8.570511 7501.807       253.9019 7600.424       442.4270 7453.378       310.0386 506.9050 14.89827 503.1754 10.50621 3.729645       18.23017 
1 1 1 11  13 21 o 554.0651 8.939112 9029.651       290.4729 8932.288       495.5903 9080.602       358.5077 549.2112 15.40146 555.1877 11.01053 -5.976563      18.93243 
1 1 1 11  13 22 o 109.4539 12.49336 358.0938       78.76303 322.1989       164.9771 368.6905       89.63829 101.5006 27.17523 110.7987 14.11455 -9.298126      30.62211 
1 1 1 11  13 23 o 265.2646 7.512044 2070.200       116.7483 2083.410       216.0769 2064.753       138.7438 265.0480 13.94970 264.7325 8.949123 0.3154907      16.57350 
1 1 1 11  13 24 o 50.59056 18.64066 60.68319       72.85970 -80.43729      181.7932 87.68885       79.52615 57.32156 25.79041 56.83561 19.63280 0.4859467      32.41283 
1 1 1 11  13 25 o 191.0580 8.485210 1076.094       94.84045 1200.517       194.1049 1037.075       108.6990 200.3800 16.66779 187.3708 9.927174 13.00926       19.40010 
1 1 1 11  13 26 o 304.9224 7.763448 2735.770       138.7207 2672.885       247.9968 2764.406       167.3508 300.2152 14.12480 306.2848 9.327348 -6.069580      16.92659 
1 1 1 11  13 27 o 325.7119 7.695347 3119.310       146.9983 2919.530       224.4799 3269.293       194.5018 314.2370 12.20383 332.9992 9.970555 -18.76224      15.75898 
1 1 1 11  13 28 o 67.23524 21.75485 131.9796       97.85729 -205.8252      179.8201 274.1125       116.6414 49.26391 23.33543 93.84109 21.63640 -44.57718      31.82258 
1 1 1 11  13 29 o 392.4610 7.515635 4529.661       172.9867 4692.264       262.6746 4405.132       229.8737 398.5768 11.24838 386.4392 10.15159 12.13760       15.15192 
1 1 1 11  13 30 o 247.2712 8.348989 1802.017       120.9023 1593.004       201.3095 1919.942       151.2101 231.1655 14.92860 254.9438 10.13332 -23.77834      18.04293 
1 1 1 11  13 31 o 67.58759 21.96807 134.4469       99.71977 -123.0534      201.0125 218.5055       114.8485 57.58525 26.37961 83.56315 22.80374 -25.97790      34.86967 
1 1 1 11  13 32 o 327.6347 7.394983 3159.920       142.0946 3180.410       216.0000 3144.288       188.6664 327.6776 11.25646 326.1860 9.873677 1.491577       14.97322 
1 1 1 11  13 33 o 315.4548 7.707871 2931.317       142.6009 2796.500       212.1848 3042.365       192.5746 306.9628 11.80834 320.6577 10.25334 -13.69489      15.63866 
1 1 1 11  13 34 o 83.17886 20.82527 218.2932       101.3503 39.29247       178.0535 304.0877       123.2687 65.55775 27.48841 98.04308 21.98214 -32.48532      35.19698 
1 1 1 11  13 35 o 206.6625 9.318191 1265.514       112.6484 1058.430       176.5533 1407.702       146.2964 186.9354 16.26578 217.4053 11.51501 -30.46988      19.92915 
1 1 1 11  13 36 o 285.1923 7.742461 2403.727       129.3795 2267.025       193.0589 2515.171       174.3140 275.4656 11.97874 290.8948 10.23347 -15.42926      15.75481 
1 1 1 11  13 37 o 221.9834 8.645140 1462.496       112.3342 1275.971       178.3120 1585.239       144.6476 204.8731 14.94314 230.3866 10.73493 -25.51350      18.39935 
1 1 1 11  13 38 o 101.0154 26.08698 343.8998       155.6193 335.4566       169.9128 387.8440       387.6349 99.13796 27.99892 106.5574 42.05380 -7.419426      50.52190 
1 1 1 11  13 39 o 56.66109 20.88919 86.06154       91.51903 97.05354       179.4663 82.19848       106.3923 68.85590 28.10881 58.03242 22.27489 10.82349       35.86469 
1 1 1 11  13 40 o 162.9920 18.81225 841.8294       176.5322 808.9762       193.3694 1006.217       432.5470 158.0687 21.40873 152.5649 45.15943 5.503784       49.97707 
1 1 1 11  13 41 o 165.1498 11.51589 826.8262       110.8400 845.3311       114.6610 562.9759       432.9627 166.8644 11.79256 113.1751 44.51234 53.68928       46.04794 
1 1 1 11  13 42 o 60.52927 21.94223 108.2248       100.3415 95.02093       103.1725 338.9712       431.3008 58.71903 22.07510 97.58553 41.91489 -38.86650      47.37265 
1 1 1 11  13 43 o 74.07320 23.48881 186.6470       114.5042 233.7176       119.0052 -400.5464      420.3214 82.17112 23.50748 66.97803 32.69032 15.19309       40.26485 
1 1 1 11  13 44 o 59.33412 23.10803 93.93486       115.7341 122.1910       120.6071 -234.6931      411.3096 63.74130 23.88760 70.11232 33.76774 -6.371021      41.36275 
1 1 1 11  13 45 o 130.3741 15.42578 538.6476       115.6654 625.1498       120.2621 -528.4684      422.3971 140.9797 14.76396 62.85610 31.08517 78.12359       34.41312 
1 1 1 11  13 46 o 50.81933 21.81411 26.16468       116.6820 -47.29066      121.2389 948.5958       429.6326 44.85043 20.52372 132.3609 45.63660 -87.51047      50.03921 
1 1 1 11  13 47 o 101.9632 21.24698 357.6920       122.9274 400.3824       127.7963 -170.7644      449.6325 108.2995 20.87745 72.48028 35.00693 35.81925       40.75970 
1 1 1 11  14 0  o 782.9787 18.58355 18048.28       853.3536 17566.49       1173.428 18589.09       1243.244 770.5767 26.00236 792.5008 26.78741 -21.92413      37.33213 
1 1 1 11  14 1  f 266.5750 10.54996 2089.736       164.6122 1980.285       201.0616 2312.251       286.6814 259.2692 13.26704 279.7664 17.56101 -20.49728      22.00917 
1 1 1 11  14 2  o 277.7178 10.66378 2267.966       173.3636 2085.963       209.2077 2666.865       309.7210 266.0963 13.44927 300.5176 17.65089 -34.42133      22.19092 
1 1 1 11  14 3  o 391.8210 11.66107 4513.042       267.6659 4378.892       344.7546 4716.624       424.7006 385.6043 15.27488 399.8777 18.15682 -14.27332      23.72745 
1 1 1 11  14 4  o 265.2932 11.25768 2070.641       174.7581 2205.003       210.5022 1772.658       313.4834 273.6211 13.15621 244.1745 22.13100 29.44653       25.74621 
1 1 1 11  14 5  o 726.8843 13.00303 15525.40       554.3197 15193.36       637.1526 16559.19       1124.243 718.8106 15.11397 748.0475 25.66399 -29.23694      29.78376 
1 1 1 11  14 6  f 536.1580 10.87771 8442.042       342.0429 8525.527       405.2682 8235.323       637.7158 538.6472 12.82885 528.1460 20.62807 10.50116       24.29190 
1 1 1 11  14 7  f 557.1309 10.87133 9115.814       355.2144 8871.298       407.0146 9897.216       727.5992 549.4620 12.63054 578.8536 21.46971 -29.39160      24.90941 
1 1 1 11  14 8  o 638.3733 13.69200 11979.96       512.6161 11979.96       512.6161 0.000000       0.000000 638.3733 13.69200 ?        ?        0.000000       13.69200 
1 1 1 11  14 9  o 478.9226 11.80543 6739.146       331.5870 6739.146       331.5870 0.000000       0.000000 478.9226 11.80543 ?        ?        0.000000       11.80543 
1 1 1 11  14 10 o 229.6667 11.72780 1553.984       157.4436 1553.984       157.4436 0.000000       0.000000 229.6667 11.72780 ?        ?        0.000000       11.72780 
1 1 1 11  14 11 o 460.7959 17.44572 6266.616       470.6120 6266.616       470.6120 0.000000       0.000000 460.7959 17.44572 ?        ?        0.000000       17.44572 
1 1 1 11  14 12 o 121.7313 16.83961 444.9257       117.0058 247.1563       149.9354 752.9409       187.1160 90.44504 26.53960 158.3268 20.64250 -67.88176      33.62236 
1 1 1 11  14 13 o 633.3918 9.122992 11783.56       338.8911 11502.62       498.9452 12024.17       461.7428 625.1696 13.60832 639.3962 12.31345 -14.22662      18.35231 
1 1 1 11  14 14 f 121.3403 14.87652 440.2058       103.6539 527.5541       166.7620 385.2128       132.3195 131.6491 22.40027 112.3390 20.85113 19.31011       30.60297 
1 1 1 11  14 15 o 430.7715 7.418399 5448.546       187.4164 5166.911       267.9051 5718.475       262.2782 419.0323 10.91070 441.0637 10.13936 -22.03134      14.89462 
1 1 1 11  14 16 o 278.6205 9.075367 2283.724       148.0976 1927.269       263.3201 2448.646       179.1108 254.7131 17.73799 288.3500 10.60944 -33.63695      20.66873 
1 1 1 11  14 17 o 209.1401 8.392396 1287.297       102.7285 1240.838       219.6391 1300.306       116.2246 203.8666 18.57391 210.0933 9.456926 -6.226715      20.84283 
1 1 1 11  14 18 f 202.0087 8.516006 1201.541       100.6656 1439.002       214.9254 1134.809       113.9357 219.9051 16.79186 196.1604 9.936071 23.74463       19.51133 
1 1 1 11  14 19 o 51.74748 18.73003 66.04074       73.07684 -123.4971      185.1642 101.0090       79.53272 55.26793 25.31817 59.59573 19.63390 -4.327801      32.03904 
1 1 1 11  14 20 o 610.1530 9.494128 10954.08       339.7382 10713.47       566.7917 11089.00       424.4364 601.2983 16.08694 613.3320 11.79958 -12.03369      19.95043 
1 1 1 11  14 21 o 375.1376 7.723015 4136.783       169.9135 3921.844       289.2477 4250.035       209.9582 364.0890 13.56977 380.0117 9.420749 -15.92270      16.51935 
1 1 1 11  14 22 o 292.6608 7.424762 2519.290       127.3347 2423.112       233.5476 2559.974       151.8976 285.9030 13.97086 294.8353 8.794404 -8.932373      16.50838 
1 1 1 11  14 23 o 542.3334 8.814772 8655.612       280.3677 8922.106       490.0970 8525.974       341.8252 548.4768 15.25088 537.7684 10.83823 10.70837       18.70980 
1 1 1 11  14 24 o 185.4392 8.481908 1013.855       92.00132 998.9627       201.1365 1017.795       103.4586 182.0775 19.12076 185.6684 9.533111 -3.590866      21.36547 
1 1 1 11  14 25 o 160.8978 9.585183 765.0356       90.03848 696.0190       203.6297 781.8085       100.3849 150.3894 23.88494 162.5216 10.58957 -12.13226      26.12718 
1 1 1 11  14 26 o 359.4868 8.141215 3801.032       171.6417 3454.887       282.1171 4004.462       216.2753 341.4093 14.12023 368.5614 10.01496 -27.15213      17.31128 
1 1 1 11  14 27 o 465.7220 7.825099 6378.368       213.7308 6569.584       319.6320 6223.722       287.4456 471.8620 11.55007 459.4818 10.66687 12.38022       15.72215 
1 1 1 11  14 28 o 319.7096 7.647182 3005.941       143.3863 2828.604       222.9957 3130.942       187.2212 309.1883 12.32235 325.8426 9.808245 -16.65433      15.74935 
1 1 1 11  14 29 o 64.34113 21.17394 119.6089       92.50804 -133.1525      188.9066 199.3445       106.1006 54.99859 25.33312 80.12067 21.93998 -25.12209      33.51313 
1 1 1 11  14 30 o 228.3208 8.524950 1537.438       113.9527 1589.614       204.8012 1514.042       137.1420 230.7497 15.21851 226.2659 10.36228 4.483871       18.41141 
1 1 1 11  14 31 o 230.5159 8.577783 1568.108       115.7626 1540.639       204.5660 1581.048       140.4071 226.8788 15.46656 231.1278 10.38477 -4.248978      18.62950 
1 1 1 11  14 32 o 132.4557 12.71291 525.2042       97.54556 505.2140       185.0950 532.8909       114.7779 126.1182 25.89244 132.9103 14.98573 -6.792107      29.91640 
1 1 1 11  14 33 o 73.43239 20.42220 168.3185       91.13520 -30.94534      176.4544 240.8096       106.4292 59.38674 26.13641 87.41463 21.01925 -28.02790      33.53984 
1 1 1 11  14 34 o 193.9373 9.594823 1114.761       108.7923 1282.049       194.4593 1038.545       131.2559 206.0607 16.22172 186.5935 12.05878 19.46713       20.21283 
1 1 1 11  14 35 o 316.3266 7.662008 2952.461       142.1441 2732.756       210.2273 3137.497       192.9290 302.8047 11.86088 325.1861 10.12850 -22.38138      15.59702 
1 1 1 11  14 36 o 135.1206 11.98505 549.3209       93.99140 445.5392       165.6307 598.6160       114.1517 116.7878 24.94044 140.4543 14.04610 -23.66651      28.62374 
1 1 1 11  14 37 o 46.84668 19.44160 24.22096       87.72903 10.78527       167.8451 29.27117       102.9043 59.91517 25.94319 50.59138 21.03101 9.323795       33.39689 
1 1 1 11  14 38 o 212.1488 9.731315 1343.655       120.7548 1355.470       125.7535 1203.831       432.5946 212.9365 10.09854 174.9014 42.57891 38.03513       43.76007 
1 1 1 11  14 39 o 90.08984 30.51407 277.8604       191.8992 362.9731       214.7654 -59.20192      427.3879 100.7448 32.19406 82.38710 38.00465 18.35772       49.80774 
1 1 1 11  14 40 o 175.1247 11.11950 925.8044       113.6147 948.2202       117.8761 632.4882       426.3999 177.1073 11.40920 119.8981 44.91896 57.20915       46.34526 
1 1 1 11  14 41 o 126.4069 14.62437 496.7110       106.4198 508.5015       109.8322 315.7587       430.2753 127.7609 14.93998 97.22931 41.81488 30.53155       44.40368 
1 1 1 11  14 42 o 128.5310 15.10534 517.0946       111.6937 533.1152       115.3097 273.6080       449.5353 130.3843 15.37491 94.08189 41.54853 36.30241       44.30202 
1 1 1 11  14 43 o 46.08568 20.28245 -5.778467      106.2616 60.68134       110.1430 -899.2153      403.8399 54.40004 22.09028 54.80854 27.59025 -0.4084969     35.34406 
1 1 1 11  14 44 o 49.70317 21.00014 30.64350       105.1831 16.28043       109.0749 221.2134       397.3088 48.75932 21.01231 86.92781 38.68803 -38.16849      44.02591 
1 1 1 11  14 45 o 145.5944 14.96517 668.7516       125.9667 601.9619       132.1869 1328.749       415.5320 136.8250 16.82697 170.5532 41.85934 -33.72821      45.11486 
1 1 1 11  14 46 o 71.61831 23.98123 178.1423       118.5367 142.5408       123.9445 559.6226       405.7223 66.28186 24.33119 104.4097 42.39741 -38.12784      48.88299 
1 1 1 11  15 0  o 312.9846 10.29609 2879.413       188.7359 2860.395       245.0300 2907.156       295.9477 311.6864 13.43606 313.9495 16.12733 -2.263123      20.99092 
1 1 1 11  15 1  o 298.5878 10.43336 2621.074       182.4227 2736.157       236.7136 2452.773       286.2602 304.8438 13.27203 288.1994 17.01193 16.64441       21.57666 
1 1 1 11  15 2  o 595.3085 11.67328 10409.88       407.5544 10815.08       499.9679 9607.388       703.6086 606.5515 14.05478 570.4237 21.06832 36.12775       25.32609 
1 1 1 11  15 3  o 248.9348 10.10537 1822.497       147.2261 1776.418       177.7781 1923.084       262.6628 245.5795 12.38339 254.9780 17.67427 -9.398529      21.58073 
1 1 1 11  15 4  o 596.6456 11.39063 10456.35       398.5793 10042.63       456.9006 11773.70       815.3015 584.5427 13.32769 631.2883 22.05503 -46.74561      25.76920 
1 1 1 11  15 5  o 441.0993 9.842585 5712.786       254.6221 5611.309       300.8230 5969.158       478.1467 436.8884 11.75126 449.8370 18.16140 -12.94858      21.63165 
1 1 1 11  15 6  o 594.0780 11.27691 10367.05       392.9019 10469.45       464.4494 10109.37       736.7935 596.8072 13.26948 584.9338 21.51439 11.87341       25.27743 
1 1 1 11  15 7  o 693.8304 12.43184 14147.49       505.8703 14038.33       586.0948 14466.36       1001.726 690.8810 14.46486 698.9919 24.47355 -8.110840      28.42862 
1 1 1 11  15 8  o 496.0971 11.87069 7232.268       345.3767 7232.268       345.3767 0.000000       0.000000 496.0971 11.87069 ?        ?        0.000000       11.87069 
1 1 1 11  15 9  o 344.4900 10.54683 3489.460       212.8321 3489.460       212.8321 0.000000       0.000000 344.4900 10.54683 ?        ?        0.000000       10.54683 
1 1 1 11  15 10 o 164.4576 13.13384 800.5055       125.6246 800.5055       125.6246 0.000000       0.000000 164.4576 13.13384 ?        ?        0.000000       13.13384 
1 1 1 11  15 11 o 385.7728 10.59277 4376.462       239.4311 4376.462       239.4311 0.000000       0.000000 385.7728 10.59277 ?        ?        0.000000       10.59277 
1 1 1 11  15 12 o 399.5390 10.83192 4695.585       253.5797 4216.743       309.0090 5682.979       443.7313 378.2066 13.95523 438.5641 17.28574 -60.35748      22.21587 
1 1 1 11  15 13 o 682.5012 12.90175 13709.37       516.4193 12896.85       662.5233 14967.38       824.3777 660.8351 17.10893 711.1058 19.78627 -50.27063      26.15745 
1 1 1 11  15 14 o 385.3971 7.166438 4360.895       161.9804 4306.874       233.3517 4411.129       225.0248 382.5994 10.40926 387.2653 9.915822 -4.665894      14.37624 
1 1 1 11  15 15 f 303.7690 8.692556 2713.516       154.7015 2656.025       266.0037 2742.900       190.1698 299.6629 15.18526 305.1973 10.64082 -5.534363      18.54236 
1 1 1 11  15 16 o 477.2934 10.69435 6702.591       299.3577 6102.382       479.7667 7085.256       383.0788 453.6719 18.06788 490.0964 13.34013 -36.42456      22.45901 
1 1 1 11  15 17 o 605.2307 9.993044 10775.96       354.7066 10794.67       468.0325 10750.72       543.6878 605.0368 13.18997 603.0071 15.38621 2.029724       20.26600 
1 1 1 11  15 18 o 149.4794 9.250632 659.6591       80.69937 737.6296       195.9853 643.7404       88.55497 155.8248 22.06173 147.5373 10.29903 8.287506       24.34727 
1 1 1 11  15 19 o 417.3041 7.906129 5118.526       193.4938 5117.540       340.4738 5118.997       235.1604 416.0002 13.97515 417.0894 9.613566 -1.089203      16.96248 
1 1 1 11  15 20 f 556.5254 8.971625 9111.795       292.8240 9141.089       505.3127 9096.984       359.3026 555.4109 15.52822 555.6122 11.02651 -0.2012939     19.04493 
1 1 1 11  15 21 o 144.6535 9.243434 618.3612       78.00719 358.3815       205.8747 661.9435       84.29245 107.0446 31.01077 149.6333 9.656840 -42.58868      32.47956 
1 1 1 11  15 22 o 352.2571 7.457277 3647.841       154.0602 3526.501       273.1661 3704.438       186.5614 345.0971 13.52311 354.6664 8.976358 -9.569305      16.23112 
1 1 1 11  15 23 o 321.0822 7.414697 3030.851       139.6240 2803.874       257.9693 3124.892       166.0478 307.4243 14.34759 325.7538 8.699254 -18.32950      16.77886 
1 1 1 11  15 24 o 74.07234 16.63762 169.2836       70.50593 -203.7843      190.8988 228.2120       75.87029 51.48547 24.28398 86.46102 15.53329 -34.97555      28.82698 
1 1 1 11  15 25 o 450.6045 8.267357 5972.763       218.4805 5928.356       376.4266 5995.321       268.2959 447.2881 14.36833 451.0979 10.14128 -3.809784      17.58677 
1 1 1 11  15 26 f 421.4886 8.215746 5225.619       203.0876 5575.817       380.8024 5086.423       240.0798 433.5704 14.99837 415.5559 9.850897 18.01450       17.94411 
1 1 1 11  15 27 o 276.9230 8.179079 2257.903       132.6899 2268.770       264.8767 2254.263       153.3143 275.8986 16.44442 276.5089 9.468128 -0.6102600     18.97536 
1 1 1 11  15 28 o 120.7743 13.00537 436.3559       90.66843 332.3490       194.0304 465.4113       102.5540 102.9161 30.18878 124.5271 14.30159 -21.61095      33.40506 
1 1 1 11  15 29 o 374.5571 7.531718 4127.291       165.4484 4252.776       265.1580 4047.288       211.7184 379.0977 11.94112 370.3770 9.755340 8.720642       15.41937 
1 1 1 11  15 30 o 79.89272 19.58449 199.2639       91.04189 183.0528       195.3568 203.7614       102.8990 83.39083 30.55734 80.72810 21.39312 2.662727       37.30170 
1 1 1 11  15 31 f 159.6039 10.72856 756.4143       99.84020 823.6584       198.7059 733.7048       115.4749 163.7733 21.18370 156.7924 12.66547 6.980881       24.68123 
1 1 1 11  15 32 o 146.3396 11.14346 637.5251       94.91928 750.7103       194.8700 602.3181       108.6839 155.7989 21.93334 141.7791 13.22330 14.01978       25.61107 
1 1 1 11  15 33 o 195.3879 9.404530 1130.439       107.4504 1076.107       203.9298 1151.319       126.4230 187.9309 18.75265 196.8411 10.99485 -8.910172      21.73818 
1 1 1 11  15 34 o 206.3127 8.931509 1260.173       107.8130 1197.562       199.6793 1285.937       128.0882 198.5150 17.32439 208.0305 10.53288 -9.515533      20.27501 
1 1 1 11  15 35 o 81.35224 18.68592 209.5160       87.27267 66.69504       174.4630 257.1830       100.7897 66.82765 27.54483 90.03440 19.64168 -23.20675      33.83066 
1 1 1 11  15 36 o 168.5883 10.30711 848.9247       101.4225 869.0180       105.1422 579.9218       384.7065 170.5002 10.56674 124.1135 43.16459 46.38671       44.43915 
1 1 1 11  15 37 o 239.2080 9.212320 1703.162       128.9979 1676.034       134.8710 1994.451       441.9504 237.0938 9.720078 240.5799 32.12523 -3.486099      33.56353 
1 1 1 11  15 38 o 239.9101 9.397123 1716.648       131.9633 1752.804       138.1201 1337.996       446.9744 242.2762 9.740516 184.3434 42.24931 57.93277       43.35760 
1 1 1 11  15 39 o 42.22031 18.54754 -11.64776      88.49001 19.56505       90.71608 -624.3231      401.9138 46.47774 19.56257 62.05429 30.62050 -15.57655      36.33606 
1 1 1 11  15 40 o 48.64063 23.13408 -172.1112      180.2892 -228.1141      197.8379 102.2152       437.8629 48.84118 23.49659 87.60316 39.66278 -38.76198      46.10018 
1 1 1 11  15 41 o 136.9941 13.91582 580.3152       110.2552 609.4144       113.6965 121.3246       451.5522 140.3742 13.99686 87.96947 40.00587 52.40472       42.38374 
1 1 1 11  15 42 o 65.85992 21.87591 141.2689       98.67319 141.5158       101.0873 136.2853       454.2201 65.99758 22.14650 87.20629 39.83749 -21.20871      45.57952 
1 1 1 11  15 43 o 54.82354 21.81421 70.06510       105.1030 108.6157       108.3803 -538.6132      430.6543 60.77575 22.67106 63.86142 31.54651 -3.085667      38.84790 
1 1 1 11  15 44 o 77.43951 23.23902 209.1862       113.9328 248.1517       118.2999 -289.5404      423.2293 84.12105 23.21927 68.96296 33.46398 15.15809       40.73049 
1 1 1 11  15 45 o 87.50195 22.67664 269.0290       117.3128 250.3904       122.9302 459.1008       392.5644 83.78092 23.86737 98.52116 41.02619 -14.74023      47.46367 
1 1 1 11  15 46 o 54.28781 22.65847 53.73363       120.1452 33.86119       125.8689 257.4508       403.0015 52.94772 22.69081 86.67743 38.74437 -33.72971      44.89988 
1 1 1 11  16 0  o 275.4391 9.752226 2230.341       157.2874 2214.932       204.6392 2252.583       245.8694 274.2375 12.75861 276.3114 15.23135 -2.073883      19.86898 
1 1 1 11  16 1  o 431.5533 11.67749 5475.297       295.2808 5325.784       398.4461 5657.446       439.7884 425.1322 16.00927 438.0333 17.15246 -12.90106      23.46282 
1 1 1 11  16 2  o 785.6132 18.59467 18183.89       856.7376 17650.06       1176.234 18787.15       1250.382 771.8313 26.02210 796.0797 26.81985 -24.24835      37.36916 
1 1 1 11  16 3  o 410.9337 9.534666 4958.075       229.7882 5064.824       279.2769 4734.336       404.3180 415.0579 11.48401 400.6135 17.24907 14.44437       20.72228 
1 1 1 11  16 4  o 442.1332 9.851338 5740.234       255.4459 5679.749       304.0175 5885.476       471.1075 439.5073 11.80526 446.6071 18.02341 -7.099823      21.54547 
1 1 1 11  16 5  f 264.2084 9.124383 2051.942       141.1719 1966.004       162.4235 2317.403       285.4659 258.4870 10.73758 279.9487 17.47417 -21.46167      20.50956 
1 1 1 11  16 6  o 577.3075 11.12700 9791.949       376.7347 9921.715       447.7961 9477.614       696.9406 580.8998 13.14403 566.1890 21.02514 14.71082       24.79560 
1 1 1 11  16 7  o 145.2735 10.30291 623.0380       87.21067 591.2941       93.35784 840.5503       244.3778 141.3995 11.35310 166.4948 25.86631 -25.09534      28.24817 
1 1 1 11  16 8  o 197.0094 10.01843 1143.059       115.3743 1143.059       115.3743 0.000000       0.000000 197.0094 10.01843 ?        ?        0.000000       10.01843 
1 1 1 11  16 9  o 317.0251 13.17509 2961.731       244.4275 2961.731       244.4275 0.000000       0.000000 317.0251 13.17509 ?        ?        0.000000       13.17509 
1 1 1 11  16 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  16 11 o 379.6794 14.23788 4251.318       316.4775 4251.318       316.4775 0.000000       0.000000 379.6794 14.23788 ?        ?        0.000000       14.23788 
1 1 1 11  16 12 o 204.1305 9.342010 1226.889       111.5439 1090.790       138.0246 1483.120       189.3839 192.1449 12.31314 223.8935 14.50084 -31.74863      19.02335 
1 1 1 11  16 13 o 186.0004 9.286842 1019.190       100.9849 930.3432       135.9832 1128.438       150.7904 177.2535 13.17518 195.2988 13.24341 -18.04530      18.68083 
1 1 1 11  16 14 o 254.3855 8.409820 1903.325       125.2945 1720.018       194.1787 2034.089       164.0049 241.1786 13.78559 262.7537 10.66500 -21.57516      17.42942 
1 1 1 11  16 15 o 298.7811 8.344072 2625.208       146.0684 2518.667       247.8533 2681.901       180.8024 291.8009 14.52866 301.7781 10.23044 -9.977173      17.76919 
1 1 1 11  16 16 f 388.0918 7.078916 4423.819       161.1208 4133.553       228.4613 4711.046       227.2620 374.6463 10.40787 400.2087 9.682548 -25.56241      14.21532 
1 1 1 11  16 17 o 203.3308 7.159201 1216.021       85.23933 993.9476       140.6580 1344.909       107.1571 183.0847 13.18808 213.7139 8.566800 -30.62917      15.72627 
1 1 1 11  16 18 o 189.1208 7.373085 1052.547       81.62179 921.5898       148.4747 1109.263       97.71099 176.0006 14.51313 194.0348 8.607867 -18.03421      16.87384 
1 1 1 11  16 19 o 104.8732 11.20567 327.7811       67.85444 168.6824       188.9805 351.3279       72.70251 81.99612 30.05317 108.5560 11.59896 -26.55991      32.21381 
1 1 1 11  16 20 o 449.8036 8.072658 5949.727       212.9560 5793.421       362.2307 6032.285       263.2556 442.3918 13.97890 452.5875 9.918013 -10.19562      17.13991 
1 1 1 11  16 21 o 47.90836 16.97356 59.31741       59.67334 89.92681       197.0612 56.22723       62.61309 74.27898 29.76441 47.79437 17.33195 26.48461       34.44295 
1 1 1 11  16 22 o 230.1047 7.489219 1558.347       100.9331 1432.975       226.6148 1589.372       112.7323 218.7509 17.81815 232.2915 8.288219 -13.54062      19.65149 
1 1 1 11  16 23 o 191.3673 7.777431 1078.688       87.10612 1087.986       212.7815 1076.816       95.47248 190.0270 19.36296 191.1134 8.539544 -1.086441      21.16242 
1 1 1 11  16 24 o 45.62569 21.80220 -215.9819      164.0618 -47.27722      188.0240 -754.2095      335.8402 60.86671 26.87581 55.40803 27.45807 5.458687       38.42206 
1 1 1 11  16 25 o 400.1476 7.958724 4708.943       186.7730 4400.120       328.5294 4856.424       227.0314 385.2248 14.56776 406.1094 9.532185 -20.88455      17.40925 
1 1 1 11  16 26 o 130.0173 11.40217 502.5057       86.06467 902.4361       232.8672 439.2350       92.62271 171.6573 23.76805 121.1826 13.24805 50.47462       27.21086 
1 1 1 11  16 27 o 302.2671 7.775875 2689.143       137.7304 2706.855       270.8007 2682.962       159.9656 301.6520 15.35765 301.7214 9.050263 -0.6939697E-01 17.82595 
1 1 1 11  16 28 o 217.5682 8.390827 1395.553       106.8651 1629.616       255.1805 1345.773       117.6816 232.7311 18.85713 213.4962 9.421904 19.23486       21.07993 
1 1 1 11  16 29 o 199.2726 8.939288 1172.531       104.2063 1151.933       216.5403 1178.739       118.8765 195.1120 19.17090 199.5952 10.18908 -4.483200      21.71038 
1 1 1 11  16 30 o 230.3127 8.591887 1565.519       115.8497 1587.854       248.9433 1559.345       130.8861 229.2503 18.67739 229.6472 9.740230 -0.3969116     21.06459 
1 1 1 11  16 31 o 322.8241 7.556505 3069.065       143.0663 3456.581       250.9992 2882.580       174.1200 341.0955 12.56867 312.3312 9.516772 28.76428       15.76516 
1 1 1 11  16 32 o 31.68081 15.20916 -116.3275      81.90140 -93.69126      198.3114 -120.9824      89.92902 58.61933 26.60071 33.61874 16.08553 25.00059       31.08604 
1 1 1 11  16 33 o 165.0075 20.07327 838.5475       190.2632 801.9337       210.3997 1002.830       445.6748 160.1177 23.07039 167.1235 44.62982 -7.005737      50.24006 
1 1 1 11  16 34 o 167.9108 11.07359 841.0829       108.4392 858.3906       112.2046 596.1179       422.1270 169.5649 11.34833 129.3773 45.20109 40.18762       46.60389 
1 1 1 11  16 35 o 126.1056 13.07438 481.3823       95.29411 460.8093       98.52486 779.7361       375.1998 123.1077 13.88828 144.4739 41.86716 -21.36613      44.11058 
1 1 1 11  16 36 o 77.79599 19.46498 194.6376       88.58397 186.5719       90.74828 357.7095       408.0423 76.09170 20.05569 105.9786 42.70372 -29.88688      47.17879 
1 1 1 11  16 37 o 162.7426 11.06102 796.1535       104.9442 773.6111       108.7257 1103.414       401.4074 160.1973 11.65215 168.9292 40.94762 -8.731949      42.57324 
1 1 1 11  16 38 o 64.14039 20.56819 129.4443       87.60367 119.2932       89.31342 386.9903       449.8713 62.29285 20.81557 105.8500 43.98521 -43.55711      48.66196 
1 1 1 11  16 39 o 215.0527 10.03247 1387.062       126.1842 1422.781       131.3729 961.4914       453.4633 217.6692 10.32041 145.3140 46.81452 72.35526       47.93861 
1 1 1 11  16 40 o 136.5207 13.78923 574.9691       108.8934 552.2736       112.2853 933.6921       446.4088 133.3862 14.59140 140.6104 46.52394 -7.224136      48.75845 
1 1 1 11  16 41 o 120.5391 24.03852 497.0124       163.9731 526.0770       178.5265 340.2345       414.6320 122.9624 25.58972 96.82031 41.33013 26.14205       48.61084 
1 1 1 11  16 42 o 110.7828 16.80057 393.2713       105.7356 393.4448       108.8549 390.3731       444.8762 110.4968 17.37016 98.19588 42.37686 12.30090       45.79870 
1 1 1 11  16 43 o 94.90939 20.58227 304.2643       111.2596 317.4426       115.0277 112.9524       438.2716 96.82272 20.87233 83.65997 38.55360 13.16275       43.84101 
1 1 1 11  16 44 o 135.9125 14.65282 581.4632       114.9533 599.5754       119.4322 353.4774       423.7305 137.7976 15.02138 93.24100 40.78401 44.55664       43.46236 
1 1 1 11  16 45 f 119.7463 18.93053 474.7074       128.5320 539.1215       136.4946 -29.56330      381.9063 127.8577 18.76052 73.55201 34.58526 54.30572       39.34587 
1 1 1 11  16 46 o 111.4397 21.33563 426.6180       134.3660 400.3338       142.0271 650.7236       414.7155 106.2805 23.41875 108.7966 43.31813 -2.516098      49.24325 
1 1 1 11  17 0  o 59.93382 17.61674 107.5242       66.01608 94.07268       74.75878 155.1562       140.6780 57.81366 19.03499 75.86206 26.11599 -18.04840      32.31681 
1 1 1 11  17 1  o 383.3159 10.85768 4319.929       243.8409 4366.550       334.0110 4266.728       356.8022 384.9459 14.82255 380.3560 16.03104 4.589966       21.83351 
1 1 1 11  17 2  o 381.5458 10.86493 4280.292       242.8745 4269.784       327.7819 4293.084       361.6651 380.6544 14.71031 381.4956 16.20155 -0.8411865     21.88340 
1 1 1 11  17 3  o 380.4138 10.91279 4255.243       243.2167 4271.883       326.5456 4234.509       364.4959 380.7402 14.65129 378.8264 16.44515 1.913879       22.02506 
1 1 1 11  17 4  o 767.0585 13.76276 17308.06       619.1337 17606.07       741.1069 16619.55       1126.485 773.1340 16.34465 748.2914 25.70688 24.84259       30.46295 
1 1 1 11  17 5  o 79.85294 13.95215 193.0417       62.96357 181.5060       66.24750 300.8201       202.4941 77.19531 15.17405 100.5582 31.14309 -23.36286      34.64309 
1 1 1 11  17 6  o 132.4480 10.19434 518.4143       78.57838 535.3528       84.64704 412.8298       211.3365 134.5428 10.81868 115.6275 30.66687 18.91530       32.51924 
1 1 1 11  17 7  o 715.4932 12.94703 15059.47       543.2829 14976.16       636.8583 15282.16       1041.168 713.0781 15.22843 717.3290 24.78592 -4.250977      29.09032 
1 1 1 11  17 8  o 382.5144 11.27489 4305.178       252.6598 4312.234       327.2228 4294.760       397.6016 382.3875 14.61806 381.0821 17.83964 1.305450       23.06383 
1 1 1 11  17 9  o 508.7943 12.00267 7614.271       358.1545 7614.271       358.1545 0.000000       0.000000 508.7943 12.00267 ?        ?        0.000000       12.00267 
1 1 1 11  17 10 o 262.0334 9.480405 2020.114       145.4513 2020.114       145.4513 0.000000       0.000000 262.0334 9.480405 ?        ?        0.000000       9.480405 
1 1 1 11  17 11 o 146.4520 20.36454 647.0215       170.1869 568.5938       212.5169 787.2418       284.1607 135.6421 27.65342 159.3193 31.52858 -23.67715      41.93761 
1 1 1 11  17 12 o 236.0897 8.611670 1639.796       119.0383 1535.976       153.7225 1795.300       188.1339 228.1825 11.52426 246.5431 13.05795 -18.36061      17.41605 
1 1 1 11  17 13 o 495.0012 7.635059 7196.969       221.6507 7016.256       324.8487 7354.392       303.1935 488.2612 11.34432 500.0421 10.33862 -11.78091      15.34864 
1 1 1 11  17 14 f 221.0306 7.681442 1436.922       99.42257 1567.519       158.3773 1351.983       127.7254 230.4193 11.75878 214.1389 10.19956 16.28043       15.56598 
1 1 1 11  17 15 o 87.26363 12.33858 228.8060       61.38689 305.0347       97.81099 179.2675       78.84973 100.1116 17.28370 76.27551 17.93074 23.83608       24.90457 
1 1 1 11  17 16 f 20.98291 10.47472 -140.7806      52.62304 -75.76024      102.4331 -164.0934      61.33569 40.68408 18.70870 22.64506 11.30512 18.03902       21.85912 
1 1 1 11  17 17 o 531.4063 9.002419 8306.349       280.5669 8540.969       384.3975 8038.855       410.4452 538.1732 12.17890 521.6302 13.42774 16.54297       18.12815 
1 1 1 11  17 18 o 278.2340 6.438039 2273.902       105.0544 2279.023       169.0286 2270.678       134.1007 277.9816 10.38623 277.7665 8.241025 0.2150879      13.25852 
1 1 1 11  17 19 o 281.9761 6.648288 2336.053       109.9443 2166.767       172.6351 2451.564       142.6033 270.9133 10.88764 288.5720 8.435120 -17.65869      13.77287 
1 1 1 11  17 20 o 522.7620 7.977760 8036.757       244.5882 8068.449       367.7045 8011.606       327.5648 522.8445 11.99157 521.3407 10.71334 1.503845       16.08022 
1 1 1 11  17 21 o 214.5295 7.447294 1354.692       93.55715 1338.035       228.5983 1358.043       102.5378 211.1150 18.65480 214.7141 8.157626 -3.599106      20.36047 
1 1 1 11  17 22 f 158.2102 8.093287 738.1606       74.84529 772.5190       205.1172 732.8833       80.38801 158.9283 22.64642 157.5689 8.733181 1.359390       24.27198 
1 1 1 11  17 23 o 344.2010 7.576308 3483.420       152.9397 3801.571       294.4660 3365.893       178.9724 358.1454 14.04651 338.0350 9.035737 20.11035       16.70176 
1 1 1 11  17 24 o 491.5741 8.871163 7111.684       255.7526 7336.676       458.9211 7010.330       308.0180 497.1135 15.76090 487.6408 10.77025 9.472748       19.08937 
1 1 1 11  17 25 o 146.0821 9.263137 630.7882       78.95199 900.4541       240.0640 598.0834       83.60263 171.2209 24.61316 142.1204 10.09601 29.10045       26.60332 
1 1 1 11  17 26 o 231.1949 7.832017 1573.957       106.0413 1557.410       243.2860 1577.838       117.8224 227.8547 18.36111 231.3676 8.698592 -3.512878      20.31738 
1 1 1 11  17 27 o 160.2900 9.058475 759.1564       84.80882 721.1271       232.6425 764.9848       91.07617 151.7748 27.13191 160.8171 9.701669 -9.042282      28.81429 
1 1 1 11  17 28 o 36.73507 16.06502 -13.44815      65.71900 -53.85990      223.7306 -9.631980      68.75201 65.94925 29.20900 38.14316 16.55949 27.80609       33.57652 
1 1 1 11  17 29 o 82.05309 15.93594 207.3651       73.92234 217.9837       75.20454 -96.09825      402.0354 84.20393 15.80907 86.09534 38.57523 -1.891403      41.68903 
1 1 1 11  17 30 o 209.5896 9.667585 1299.630       118.5133 1364.832       124.5307 673.4547       385.9171 214.7449 9.914634 140.6152 42.89298 74.12968       44.02395 
1 1 1 11  17 31 o 52.93777 18.74488 74.36700       72.76926 85.17324       73.86622 -281.3802      423.8181 55.25950 18.92756 79.76717 37.15645 -24.50767      41.69957 
1 1 1 11  17 32 o 329.8771 8.826811 3214.946       170.6145 3184.619       181.1526 3453.092       507.6354 328.1458 9.422741 332.4524 26.24868 -4.306580      27.88873 
1 1 1 11  17 33 o 100.4655 15.91850 310.2660       90.66985 336.8874       92.69003 -280.5635      436.6652 104.8811 15.53838 79.88317 37.37630 24.99794       40.47751 
1 1 1 11  17 34 o 115.2370 13.47777 402.9279       89.36933 417.7309       91.48745 94.29472       417.7417 117.3423 13.54217 93.39602 40.67964 23.94628       42.87451 
1 1 1 11  17 35 o 106.8376 14.97038 351.4073       91.23030 399.4218       93.68326 -529.6244      401.3024 114.2439 14.29428 66.19725 32.22759 48.04662       35.25541 
1 1 1 11  17 36 o 159.0029 11.16280 759.7792       103.4333 748.8892       107.5921 892.5335       375.6562 157.6595 11.72000 151.7956 41.16651 5.863861       42.80233 
1 1 1 11  17 37 o 102.7062 16.01345 329.9358       93.31179 323.5734       95.60146 458.0079       428.9264 101.4466 16.64532 110.6532 44.05514 -9.206566      47.09482 
1 1 1 11  17 38 o 156.8743 11.54639 744.0939       105.4859 757.0904       108.3748 510.0124       459.9359 158.1533 11.76856 112.3663 45.31662 45.78696       46.81982 
1 1 1 11  17 39 o 84.61537 19.68178 235.5775       95.82201 246.0447       98.56696 55.45897       408.8779 86.43536 19.86165 83.82644 38.10093 2.608925       42.96703 
1 1 1 11  17 40 o 36.27829 17.06576 -85.06367      93.15997 -72.50223      95.19867 -368.9587      452.5743 37.77161 17.59966 71.37434 34.62721 -33.60273      38.84317 
1 1 1 11  17 41 o 43.25763 19.29879 -20.90742      99.48282 -9.483054      102.0626 -238.3677      445.2874 44.96151 19.82912 73.53403 35.34371 -28.57252      40.52619 
1 1 1 11  17 42 o 63.23256 23.14665 122.6045       112.0471 132.0194       116.0410 -7.147645      430.7849 64.94971 23.58900 79.24175 37.09161 -14.29204      43.95712 
1 1 1 11  17 43 o 104.0034 19.85863 361.3086       116.7123 367.5648       121.2489 282.3657       430.7017 104.5073 20.51519 90.49969 40.27919 14.00758       45.20272 
1 1 1 11  17 44 o 87.99448 22.57215 271.5435       117.0448 288.9152       122.2430 80.21768       405.6860 90.56426 22.98127 79.40419 36.76907 11.16007       43.36016 
1 1 1 11  17 45 o 111.1909 21.91038 426.2589       137.7959 502.5865       146.4525 -162.7316      406.8271 121.4040 21.34796 70.40839 33.82624 50.99562       39.99937 
1 1 1 11  18 0  o 540.8036 11.40388 8596.636       361.6951 0.000000       0.000000 8596.636       361.6951 ?        ?        540.8036 11.40388 0.000000       11.40388 
1 1 1 11  18 1  o 631.2058 10.57216 11707.18       391.3680 11692.21       682.2146 11714.53       477.8114 629.2071 18.50756 631.0866 12.90973 -1.879517      22.56525 
1 1 1 11  18 2  o 265.2471 23.05474 2098.662       355.0832 2098.662       355.0832 0.000000       0.000000 265.2471 23.05474 ?        ?        0.000000       23.05474 
1 1 1 11  18 3  o 385.2722 17.98044 4388.650       405.1528 4388.650       405.1528 0.000000       0.000000 385.2722 17.98044 ?        ?        0.000000       17.98044 
1 1 1 11  18 4  o 478.9217 10.03459 6739.048       281.8477 7007.182       346.1320 6211.417       485.5468 488.1411 12.09054 458.4343 18.09495 29.70685       21.76255 
1 1 1 11  18 5  o 230.4282 8.716521 1561.604       117.5833 1509.028       134.7361 1729.559       240.8171 226.3878 10.17399 241.5583 17.10938 -15.17050      19.90580 
1 1 1 11  18 6  o 126.1926 9.723382 470.6485       71.40721 449.9225       75.82361 633.1780       212.3309 123.2729 10.59038 143.7834 26.14260 -20.51050      28.20623 
1 1 1 11  18 7  o 384.8877 16.83724 4379.015       379.1432 4379.015       379.1432 0.000000       0.000000 384.8877 16.83724 ?        ?        0.000000       16.83724 
1 1 1 11  18 8  o 132.9959 10.09779 522.8595       78.17308 577.3681       83.74981 153.9743       217.8697 139.7744 10.28869 84.23491 31.98654 55.53944       33.60053 
1 1 1 11  18 9  o 104.1213 10.47847 321.9508       63.11720 321.9508       63.11720 0.000000       0.000000 104.1213 10.47847 ?        ?        0.000000       10.47847 
1 1 1 11  18 10 o 380.1508 10.21244 4252.206       227.4796 4252.206       227.4796 0.000000       0.000000 380.1508 10.21244 ?        ?        0.000000       10.21244 
1 1 1 11  18 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  18 12 o 281.6775 8.327743 2333.447       137.4209 2488.980       207.1474 2211.195       183.6520 290.4460 12.18793 273.8295 11.46110 16.61655       16.73028 
1 1 1 11  18 13 o 52.93907 13.21241 85.88323       40.88872 126.7425       45.30501 -93.57535      94.94739 64.50917 12.42567 37.26904 17.43476 27.24013       21.40953 
1 1 1 11  18 14 o 293.5585 7.617348 2533.744       131.0334 2567.311       214.9423 2513.891       165.3015 294.8472 12.45817 292.1696 9.660259 2.677551       15.76472 
1 1 1 11  18 15 o 337.8345 7.933352 3354.457       157.1851 3542.319       276.8635 3265.104       190.9413 346.1246 13.66586 332.9638 9.788679 13.16080       16.80994 
1 1 1 11  18 16 o 25.06869 11.30930 -18.72641      35.22549 9.934032       53.84248 -40.17337      46.57647 36.73998 15.23759 26.82408 12.43423 9.915903       19.66708 
1 1 1 11  18 17 o 281.5002 6.322127 2327.524       104.3740 2225.609       160.0371 2402.958       137.6859 274.7566 9.948086 285.7452 8.224550 -10.98868      12.90766 
1 1 1 11  18 18 o 383.8654 6.905253 4330.014       155.4566 4277.203       227.8528 4376.005       212.6331 380.9098 10.20877 385.5538 9.403626 -4.643951      13.87974 
1 1 1 11  18 19 o 51.56431 21.35190 23.03120       105.4888 37.69918       110.5416 -126.5033      352.9483 54.45197 22.12326 80.20310 36.02289 -25.75113      42.27395 
1 1 1 11  18 20 o 397.2279 7.126295 4638.061       166.0176 4580.716       250.3300 4683.086       221.8161 394.0009 10.84372 398.7850 9.484267 -4.784119      14.40617 
1 1 1 11  18 21 o 171.6354 6.954656 867.2296       69.86067 815.0869       151.0262 881.4240       78.79784 165.0232 15.79739 172.9514 7.788529 -7.928223      17.61303 
1 1 1 11  18 22 o 300.0345 7.347160 2646.430       129.2829 2651.856       249.8171 2644.445       151.0885 298.9631 14.28937 299.6592 8.606040 -0.6961365     16.68083 
1 1 1 11  18 23 o 232.4066 16.13099 1610.347       218.5026 1727.862       264.3332 1356.806       388.2672 240.0504 18.92888 207.7811 32.96120 32.26929       38.00978 
1 1 1 11  18 24 o 131.9757 9.340497 515.3751       71.82897 628.6506       244.6118 504.6859       75.14162 140.8871 30.49080 130.5215 9.889907 10.36562       32.05463 
1 1 1 11  18 25 o 169.6092 10.02208 850.6437       99.24706 866.7455       103.1368 649.1716       364.8248 171.1696 10.32189 141.1219 41.39538 30.04768       42.66285 
1 1 1 11  18 26 o 184.3421 9.621822 1004.115       103.6636 1028.120       108.0751 727.9570       366.5718 186.4946 9.916830 148.4916 40.82832 38.00305       42.01542 
1 1 1 11  18 27 o 197.6300 9.588265 1154.113       110.8015 1186.037       116.0564 825.3444       372.4374 200.2993 9.910371 157.6064 40.17797 42.69296       41.38218 
1 1 1 11  18 28 o 166.9440 10.31808 826.0497       100.5293 828.0990       104.5344 800.8323       366.6921 167.0806 10.72462 154.4404 40.12603 12.64024       41.53452 
1 1 1 11  18 29 o 250.3795 9.254946 1852.055       135.6673 1761.632       142.6807 2704.592       438.1096 244.0318 9.990506 295.9504 25.48951 -51.91859      27.37746 
1 1 1 11  18 30 o 212.1360 9.929488 1332.462       123.1927 1378.346       129.0033 857.2674       415.1508 215.7027 10.22665 157.0329 43.55567 58.66989       44.74015 
1 1 1 11  18 31 o 264.5217 9.459132 2069.803       146.5087 2018.125       155.6405 2471.822       434.1061 261.0131 10.18696 281.0524 26.65511 -20.03925      28.53540 
1 1 1 11  18 32 o 54.73524 19.84818 77.23907       82.11188 71.81599       83.51569 234.4993       449.7324 53.98734 19.94581 105.9005 43.98996 -51.91316      48.30064 
1 1 1 11  18 33 o 302.1799 9.503106 2707.300       168.2060 2648.370       180.0387 3111.917       471.7617 298.5853 10.29668 313.3765 25.89987 -14.79120      27.87158 
1 1 1 11  18 34 o 259.2500 8.847956 1993.751       134.3307 2044.633       141.8013 1548.668       419.3905 262.4092 9.228418 211.6046 35.01800 50.80469       36.21359 
1 1 1 11  18 35 o 64.62609 19.61501 131.5576       80.84049 116.2915       82.44464 512.4445       411.8087 61.58175 19.97170 116.9014 44.06957 -55.31964      48.38384 
1 1 1 11  18 36 o 101.1530 15.64611 318.9620       89.82561 328.2407       92.01743 131.1244       414.0185 102.5838 15.80124 91.05201 40.05507 11.53179       43.05912 
1 1 1 11  18 37 o 186.7802 10.22081 1045.852       111.5343 1035.743       115.5627 1183.306       426.1413 185.6972 10.65588 171.3090 42.59560 14.38815       43.90824 
1 1 1 11  18 38 o 134.5906 13.27137 555.3286       103.3949 519.9015       105.8680 1287.143       481.1687 129.8136 14.13368 170.2526 46.76302 -40.43904      48.85224 
1 1 1 11  18 39 o 109.1259 17.03671 379.1602       105.4734 381.2554       108.6888 345.3124       436.8563 109.1681 17.57246 98.94792 42.33556 10.22022       45.83765 
1 1 1 11  18 40 o 195.3869 10.49834 1152.636       119.8585 1113.399       124.0188 1708.206       466.6673 191.7117 11.07751 203.2299 40.57512 -11.51825      42.06010 
1 1 1 11  18 41 o 69.63333 22.64581 162.2583       105.9594 139.1438       109.6350 489.7512       412.6750 65.83142 23.03321 104.0060 42.56065 -38.17460      48.39358 
1 1 1 11  18 42 o 67.27707 23.29800 149.2646       112.0196 150.3856       116.6104 135.8629       403.2016 67.64233 23.74807 83.05372 37.78323 -15.41138      44.62672 
1 1 1 11  18 43 o 163.9480 12.69695 830.0752       121.1324 855.8906       126.5184 546.0911       419.6249 166.2353 13.08252 104.4788 42.85432 61.75652       44.80676 
1 1 1 11  18 44 o 70.63052 24.16393 171.9873       120.3821 211.9342       125.9557 -249.6483      409.2084 77.05689 24.65807 68.09778 33.01143 8.959114       41.20406 
1 1 1 11  18 45 o 59.93661 23.59499 99.45143       121.7524 114.2498       127.3049 -59.17800      416.8017 62.36115 24.25012 73.88023 35.14872 -11.51908      42.70247 
1 1 1 11  19 0  o 356.0440 8.665772 3723.208       180.9512 0.000000       0.000000 3723.208       180.9512 ?        ?        356.0440 8.665772 0.000000       8.665772 
1 1 1 11  19 1  f 222.2141 7.756763 1451.597       100.9337 0.000000       0.000000 1451.597       100.9337 ?        ?        222.2141 7.756763 0.000000       7.756763 
1 1 1 11  19 2  o 338.3007 8.319619 3361.041       165.0657 0.000000       0.000000 3361.041       165.0657 ?        ?        338.3007 8.319619 0.000000       8.319619 
1 1 1 11  19 3  o 345.9470 7.519448 3513.809       152.5619 4636.418       413.9073 3337.315       164.1170 395.8519 17.87482 337.1012 8.301236 58.75070       19.70837 
1 1 1 11  19 4  o 383.8145 7.837403 4325.759       176.4185 4824.250       399.7358 4205.176       196.6014 403.9638 16.90992 378.3548 8.860065 25.60901       19.09048 
1 1 1 11  19 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  19 6  o 283.2120 7.191831 2356.476       119.3576 2487.741       302.8864 2332.345       129.8662 289.6092 17.92048 281.7048 7.868227 7.904358       19.57173 
1 1 1 11  19 7  o 266.3450 7.077408 2084.314       110.4547 2150.414       281.3662 2072.272       120.0955 269.1311 17.92838 265.5244 7.720284 3.606720       19.51998 
1 1 1 11  19 8  o 631.3529 10.45142 11722.58       386.9886 11979.48       667.6048 11592.57       474.9180 636.2086 17.91025 627.3657 12.90766 8.842896       22.07679 
1 1 1 11  19 9  o 468.0176 12.27206 6454.612       336.5544 0.000000       0.000000 6454.612       336.5544 ?        ?        468.0176 12.27206 0.000000       12.27206 
1 1 1 11  19 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  19 11 o 414.6801 10.50096 5063.331       255.1780 4793.692       327.0034 5483.218       408.0629 402.8615 13.86096 430.3402 16.19722 -27.47867      21.31845 
1 1 1 11  19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  19 13 o 338.0679 10.88102 3368.972       215.4557 3308.379       276.3884 3462.827       343.9844 334.4135 14.12422 341.4205 17.23478 -7.006958      22.28298 
1 1 1 11  19 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  19 15 o 206.5241 14.69150 1267.624       176.7838 1263.853       217.5074 1274.964       303.4486 205.4790 18.23839 204.3200 25.90494 1.159012       31.68129 
1 1 1 11  19 16 o 313.3344 11.06200 2897.421       202.9601 2791.942       248.7384 3107.546       351.0743 307.0138 13.85014 322.6600 18.63178 -15.64621      23.21572 
1 1 1 11  19 17 o 56.69047 25.00990 -41.55061      162.4845 -78.78065      189.4168 62.16025       316.1432 58.85736 26.41624 87.01289 36.56548 -28.15554      45.10933 
1 1 1 11  19 18 o 113.9786 26.25313 407.8949       171.8717 229.3022       199.4287 923.4966       338.8544 90.01005 31.09013 169.9455 35.15845 -79.93543      46.93307 
1 1 1 11  19 19 o 510.7910 9.805453 7685.573       293.7389 7707.622       351.9867 7634.992       533.1188 511.0210 11.74456 506.1017 17.98983 4.919373       21.48415 
1 1 1 11  19 20 o 444.5049 8.081747 5811.911       210.6844 5862.142       235.4521 5610.128       471.9088 446.2567 8.996371 433.4685 18.60641 12.78818       20.66720 
1 1 1 11  19 21 o 197.5482 7.934056 1149.592       91.73489 1156.952       95.13696 1052.179       346.1307 198.1495 8.204391 182.1568 33.63882 15.99261       34.62489 
1 1 1 11  19 22 o 100.5998 24.57669 316.8611       143.7408 379.4655       153.0552 -151.0370      418.4286 110.2014 24.33288 86.71664 39.06199 23.48471       46.02095 
1 1 1 11  19 23 o 303.0231 8.309631 2703.349       147.5359 2709.413       155.3034 2647.228       472.4261 303.2991 8.740020 294.0360 27.72295 9.263123       29.06802 
1 1 1 11  19 24 o 132.9441 27.25762 555.0002       205.3823 729.7889       235.4004 -2.225261      420.3063 152.9409 27.24314 94.17832 40.91470 58.76258       49.15487 
1 1 1 11  19 25 f 225.1983 9.348190 1496.561       123.1963 1531.749       129.0777 1136.618       412.8315 227.7827 9.684388 186.6092 38.98058 41.17351       40.16557 
1 1 1 11  19 26 o 222.4724 9.193256 1460.853       119.6904 1428.290       124.8424 1831.131       420.9848 219.8927 9.704466 242.0004 30.32602 -22.10764      31.84092 
1 1 1 11  19 27 o 79.72375 15.42965 195.4210       69.53499 205.1079       70.56412 -129.4345      408.6353 81.75298 15.27900 85.41863 38.52852 -3.665657      41.44749 
1 1 1 11  19 28 o 100.0194 13.53081 302.2977       77.33658 292.0819       78.74471 580.3008       410.7799 98.16584 14.08017 132.5262 44.64504 -34.36033      46.81273 
1 1 1 11  19 29 o 317.7781 9.389995 2983.563       174.8088 3027.324       189.5305 2734.250       452.3862 319.9105 10.11454 296.7108 26.26825 23.19974       28.14826 
1 1 1 11  19 30 o 192.9342 18.87384 1132.870       210.8315 1293.745       249.9033 735.6381       392.6903 205.4185 21.04047 145.4372 43.02318 59.98123       47.89254 
1 1 1 11  19 31 o 209.3462 10.16657 1300.291       124.4485 1301.662       129.7585 1284.568       439.5271 209.3501 10.60299 193.0182 40.13734 16.33188       41.51421 
1 1 1 11  19 32 o 61.05199 20.00336 110.6740       82.59915 111.2012       84.64555 100.1640       377.9278 61.33935 20.25725 91.64296 39.29689 -30.30361      44.21088 
1 1 1 11  19 33 o 135.3810 12.53191 552.5583       98.37140 559.8656       101.1816 426.4619       420.3145 136.1954 12.81814 113.7205 44.10751 22.47493       45.93231 
1 1 1 11  19 34 o 139.7260 12.07327 588.9540       97.96594 599.2720       100.6833 405.5047       424.5379 140.8762 12.30976 110.0654 43.82654 30.81078       45.52247 
1 1 1 11  19 35 o 101.9999 16.72035 326.2949       96.55944 335.0716       99.06195 159.1378       432.3201 103.3079 16.93657 94.07373 41.17065 9.234161       44.51819 
1 1 1 11  19 36 o 61.40900 21.31825 112.2664       93.81683 100.4268       96.38912 325.2542       408.8241 59.61496 21.52011 101.2002 41.98120 -41.58525      47.17559 
1 1 1 11  19 37 o 104.5780 16.99104 346.1769       100.6367 352.5243       103.1310 219.6974       460.3658 105.4254 17.27788 95.71071 42.16602 9.714661       45.56861 
1 1 1 11  19 38 o 71.02800 20.73363 166.4621       91.71674 183.8519       93.50109 -276.1551      471.7182 74.45611 20.67758 75.99667 36.48841 -1.540558      41.94003 
1 1 1 11  19 39 o 39.73764 18.03205 -38.68365      91.12177 -42.24400      93.20432 38.32750       433.4775 39.90018 18.15715 83.38000 38.39479 -43.47983      42.47166 
1 1 1 11  19 40 f 40.29681 18.42246 -47.10109      97.37906 -18.72213      99.51039 -688.3896      473.0391 43.46170 19.35128 64.68695 32.14711 -21.22525      37.52211 
1 1 1 11  19 41 o 80.07631 22.12678 220.7309       107.3646 190.4000       110.2810 771.5450       469.9592 74.44154 22.97070 119.5962 46.56873 -45.15461      51.92590 
1 1 1 11  19 42 o 88.00175 22.51573 269.4077       116.6682 227.9912       120.9477 823.7818       442.4995 80.41830 23.89891 123.4819 45.85810 -43.06363      51.71193 
1 1 1 11  19 43 o 38.31181 18.24806 -115.4297      113.0051 -98.85091      117.4000 -324.5107      416.9165 40.32017 19.02561 66.76461 32.57993 -26.44444      37.72831 
1 1 1 11  19 44 o 61.24660 23.83614 107.3605       123.0742 61.19657       127.7461 704.0934       459.2896 56.13249 23.39134 110.9069 45.08225 -54.77443      50.78941 
1 1 1 11  20 0  o 173.7983 8.414106 889.3621       85.50898 0.000000       0.000000 889.3621       85.50898 ?        ?        173.7983 8.414106 0.000000       8.414106 
1 1 1 11  20 1  o 440.6048 9.895823 5706.525       255.7123 0.000000       0.000000 5706.525       255.7123 ?        ?        440.6048 9.895823 0.000000       9.895823 
1 1 1 11  20 2  o 288.4724 7.989411 2445.995       135.0365 0.000000       0.000000 2445.995       135.0365 ?        ?        288.4724 7.989411 0.000000       7.989411 
1 1 1 11  20 3  o 345.5830 7.477121 3507.083       151.5435 3758.746       351.6342 3449.678       167.9401 356.3374 16.87387 342.6822 8.356267 13.65527       18.82962 
1 1 1 11  20 4  o 194.3564 7.634051 1111.086       86.84780 0.000000       0.000000 1111.086       86.84780 ?        ?        194.3564 7.634051 0.000000       7.634051 
1 1 1 11  20 5  o 208.6263 7.067549 1279.505       86.34972 1410.415       268.6359 1264.420       91.18906 216.9604 21.39011 207.3579 7.510861 9.602539       22.67046 
1 1 1 11  20 6  o 322.1874 7.335510 3048.549       138.6083 2966.707       301.5731 3070.468       156.0699 316.4844 16.30256 323.1753 8.241097 -6.690887      18.26716 
1 1 1 11  20 7  o 64.59174 14.83320 128.0236       55.00365 115.6830       242.8383 128.6910       56.47131 83.23069 33.14479 64.74548 15.14337 18.48521       36.44035 
1 1 1 11  20 8  o 53.16704 15.57211 84.95348       51.66026 -87.23441      239.2084 93.37724       52.90883 67.06037 29.92137 55.47602 15.60878 11.58435       33.74792 
1 1 1 11  20 9  o 32.69390 14.36199 -13.98702      53.05320 0.000000       0.000000 -13.98702      53.05320 ?        ?        32.69390 14.36199 0.000000       14.36199 
1 1 1 11  20 10 f 476.3921 14.67973 6709.817       409.6516 6709.817       409.6516 0.000000       0.000000 476.3921 14.67973 ?        ?        0.000000       14.67973 
1 1 1 11  20 11 o 183.9675 20.11237 1018.098       213.4662 1018.098       213.4662 0.000000       0.000000 183.9675 20.11237 ?        ?        0.000000       20.11237 
1 1 1 11  20 12 o 221.8022 8.689960 1448.874       112.8218 1055.689       213.3001 1601.606       132.9407 187.4050 19.70133 233.0916 9.746304 -45.68661      21.98029 
1 1 1 11  20 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  20 14 o 194.7929 15.73308 1131.083       178.2089 879.0134       211.6029 1746.056       330.5133 170.2059 21.69016 240.1461 23.77918 -69.94023      32.18559 
1 1 1 11  20 15 o 236.3763 13.12779 1655.727       181.2745 1352.208       215.1611 2398.165       336.5119 212.6544 17.40409 282.7117 20.43368 -70.05733      26.84097 
1 1 1 11  20 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  20 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  20 18 o 234.9008 14.45950 1640.089       198.2341 1414.344       236.4499 2174.108       363.6716 217.0432 18.75956 267.8952 23.38100 -50.85204      29.97653 
1 1 1 11  20 19 o 178.6614 18.40867 960.6283       190.1294 872.3998       224.1264 1187.092       359.0774 168.8692 23.24654 194.0617 32.71186 -25.19247      40.13063 
1 1 1 11  20 20 o 105.0840 29.49516 346.9660       189.1653 228.7254       220.2029 679.9689       369.5419 91.51017 32.58707 144.4167 41.45913 -52.90652      52.73307 
1 1 1 11  20 21 o 48.40973 23.17144 -250.6960      186.9991 -214.8072      211.2428 -380.6803      402.0203 54.61031 25.69210 75.24840 35.41449 -20.63808      43.75237 
1 1 1 11  20 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  20 23 o 248.0917 8.033833 1812.464       116.7381 1824.719       121.9036 1676.990       405.3196 248.8863 8.363391 232.1957 30.50091 16.69057       31.62676 
1 1 1 11  20 24 o 328.4265 8.087499 3173.922       155.7769 3172.188       167.0357 3185.501       431.6078 328.1364 8.687337 324.4180 22.83052 3.718384       24.42750 
1 1 1 11  20 25 o 143.5740 10.13853 610.9943       84.82028 596.4453       86.55702 962.6733       425.5573 141.7932 10.48283 169.3979 42.82020 -27.60469      44.08469 
1 1 1 11  20 26 o 148.4439 10.45761 653.8117       90.46010 635.0125       93.04074 978.6665       386.7653 146.2041 10.92993 171.5358 39.29149 -25.33162      40.78339 
1 1 1 11  20 27 o 77.65169 16.42424 186.6761       72.45784 170.7321       73.77581 621.0016       385.0555 74.09399 17.29428 136.0436 43.06553 -61.94957      46.40831 
1 1 1 11  20 28 o 96.27324 14.69480 282.1799       80.34487 261.4106       82.18500 730.4674       381.8218 92.34503 15.73884 145.9329 42.21866 -53.58786      45.05692 
1 1 1 11  20 29 o 39.87477 17.26769 -7.668312      74.37563 -14.47401      75.57291 202.0321       419.4976 39.34488 17.21635 103.2829 42.65557 -63.93805      45.99892 
1 1 1 11  20 30 o 226.7868 9.913360 1524.260       131.5342 1502.711       137.7642 1746.484       442.3989 225.0388 10.46694 230.9701 33.64765 -5.931366      35.23806 
1 1 1 11  20 31 o 81.95438 19.30752 212.1200       91.26405 243.6227       94.00240 -305.0830      380.8866 88.03394 18.77995 72.91139 34.36286 15.12254       39.15984 
1 1 1 11  20 32 o 31.03850 14.84466 -100.8535      76.41438 -81.94997      77.84247 -601.9193      400.7675 32.94231 15.52835 65.00832 31.77037 -32.06601      35.36221 
1 1 1 11  20 33 f 209.2973 10.08400 1306.076       123.4148 1304.020       129.7970 1325.455       398.4771 208.9423 10.62714 193.3122 36.48464 15.63010       38.00085 
1 1 1 11  20 34 o 146.0541 12.08777 644.2874       102.6141 656.3359       105.5210 434.5949       440.2135 147.3382 12.32441 111.0758 44.49428 36.26245       46.16960 
1 1 1 11  20 35 o 50.42435 19.63811 55.42787       83.58650 52.98098       85.35009 112.8087       413.3144 50.34652 19.77478 89.71109 39.71838 -39.36457      44.36881 
1 1 1 11  20 36 o 64.92528 21.10596 132.9176       92.04467 150.2516       93.96611 -277.9777      457.4958 68.30753 21.22478 76.52377 36.52301 -8.216248      42.24241 
1 1 1 11  20 37 o 62.06987 21.72940 116.8681       97.58290 152.2227       100.1582 -544.2353      433.1102 68.51711 21.99475 66.14850 32.47224 2.368607       39.22009 
1 1 1 11  20 38 o 160.8405 11.91514 787.2779       111.5964 774.7454       115.3362 971.1820       441.8170 159.2872 12.44494 143.5933 46.20477 15.69386       47.85141 
1 1 1 11  20 39 o 55.17749 21.45616 75.28992       99.65839 82.26258       102.1018 -65.18526      458.2830 56.52665 21.78889 80.28895 37.79443 -23.76230      43.62539 
1 1 1 11  20 40 f 99.77587 19.58945 330.1173       110.5366 320.5739       113.9302 483.1898       456.2829 97.75782 20.52640 102.9040 43.62037 -5.146217      48.20861 
1 1 1 11  20 41 o 30.83631 15.21757 -196.9084      99.34952 -208.7520      102.4363 -9.231494      407.7727 31.01425 15.33249 77.14971 36.10424 -46.13546      39.22501 
1 1 1 11  20 42 o 94.65191 19.56922 300.7175       105.0405 276.9323       108.7334 633.1453       406.4977 89.91895 21.00072 110.6235 43.24267 -20.70452      48.07243 
1 1 1 11  20 43 o 50.11353 21.87679 12.49970       121.3994 10.71944       128.3851 27.53603       373.1158 51.06998 22.39080 75.16501 34.96224 -24.09503      41.51754 
1 1 1 11  20 44 o 41.23656 19.14248 -65.32423      110.9909 -25.99456      114.8025 -628.2728      434.3358 45.22360 20.40785 60.56353 30.21153 -15.33993      36.45843 
1 1 1 11  21 0  o 258.5419 7.953103 1965.551       120.4485 0.000000       0.000000 1965.551       120.4485 ?        ?        258.5419 7.953103 0.000000       7.953103 
1 1 1 11  21 1  o 290.7328 7.884754 2484.907       134.3172 0.000000       0.000000 2484.907       134.3172 ?        ?        290.7328 7.884754 0.000000       7.884754 
1 1 1 11  21 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  21 3  o 227.6190 7.092905 1523.034       94.56985 1665.041       290.2147 1506.163       100.0297 235.7945 21.21279 226.3166 7.546926 9.477890       22.51529 
1 1 1 11  21 4  o 248.0517 6.949765 1808.362       101.0031 1818.913       284.9676 1806.846       108.0154 246.8031 19.85508 247.9070 7.437688 -1.103851      21.20244 
1 1 1 11  21 5  o 371.6342 7.614414 4057.367       165.9597 3994.599       331.4079 4078.377       191.7325 367.3965 15.41499 372.4836 8.776838 -5.087036      17.73851 
1 1 1 11  21 6  o 280.4854 6.986661 2310.626       114.9292 2436.125       273.2408 2283.651       126.6802 286.5386 16.32725 278.6846 7.758323 7.854034       18.07680 
1 1 1 11  21 7  o 334.7055 7.469882 3291.262       146.6315 3170.009       293.6452 3331.539       169.2420 327.1436 15.34780 336.5378 8.581799 -9.394165      17.58415 
1 1 1 11  21 8  f 269.8410 7.143519 2140.485       112.9506 1863.778       242.5968 2217.069       127.6277 250.3693 16.61566 274.5507 7.934650 -24.18135      18.41301 
1 1 1 11  21 9  o 75.22588 14.42142 172.7116       61.31009 0.000000       0.000000 172.7116       61.31009 ?        ?        75.22588 14.42142 0.000000       14.42142 
1 1 1 11  21 10 o 246.4453 8.584152 1788.074       123.8810 0.000000       0.000000 1788.074       123.8810 ?        ?        246.4453 8.584152 0.000000       8.584152 
1 1 1 11  21 11 o 249.4970 16.87852 1853.880       245.5198 1853.880       245.5198 0.000000       0.000000 249.4970 16.87852 ?        ?        0.000000       16.87852 
1 1 1 11  21 12 o 228.8126 13.06085 1550.897       174.5396 1620.026       223.3029 1442.342       279.8250 233.1998 16.43256 218.5498 22.13655 14.64995       27.56911 
1 1 1 11  21 13 o 297.9851 11.23852 2621.672       196.0539 2254.491       235.3795 3453.515       354.2821 275.6324 14.61311 340.4088 17.80782 -64.77643      23.03609 
1 1 1 11  21 14 o 300.2018 11.82593 2663.369       207.8015 2495.556       256.7741 2981.872       353.7488 289.8459 15.15813 315.7235 19.19528 -25.87766      24.45869 
1 1 1 11  21 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  21 16 o 330.1348 11.79472 3221.154       227.9979 2981.941       273.9160 3760.708       411.3788 316.9117 14.77836 354.2735 19.87917 -37.36179      24.77057 
1 1 1 11  21 17 o 72.85089 28.33352 106.8972       173.8081 60.94882       206.5402 218.3919       321.7339 72.77248 29.98019 99.20621 38.55880 -26.43373      48.84253 
1 1 1 11  21 18 o 304.8502 12.80535 2751.189       228.4337 2898.196       287.6368 2500.115       375.9049 312.1520 15.76289 287.7429 22.45290 24.40909       27.43358 
1 1 1 11  21 19 f 69.85841 28.51803 63.38340       184.7296 64.59863       208.4315 58.93320       398.8621 73.39159 30.16377 95.58381 40.66068 -22.19221      50.62750 
1 1 1 11  21 20 o 364.7013 12.81487 3935.014       273.6697 3874.479       336.0680 4054.177       471.5155 361.0199 15.91159 367.0723 22.00351 -6.052399      27.15388 
1 1 1 11  21 21 o 213.8574 17.65260 1369.804       219.4329 1328.157       258.5850 1476.953       414.7682 209.5519 21.33811 216.4795 33.77103 -6.927612      39.94744 
1 1 1 11  21 22 o 122.2241 29.23503 473.7982       206.7377 436.7471       235.8967 596.4920       429.2723 117.1645 32.95585 137.0461 45.63123 -19.88153      56.28763 
1 1 1 11  21 23 o 55.11757 25.28231 -121.3739      185.4545 -242.2372      205.9521 396.7562       426.4208 52.19642 24.79676 120.1847 44.94179 -67.98825      51.32878 
1 1 1 11  21 24 f 89.67319 30.93690 231.5659       197.4456 205.8266       226.2589 313.7590       404.3200 89.02523 32.84073 112.1266 43.32232 -23.10136      54.36301 
1 1 1 11  21 25 o 182.9689 19.36312 1015.309       204.6307 992.7001       236.2345 1083.258       409.5356 179.7210 22.93452 180.4636 39.76879 -0.7426605     45.90805 
1 1 1 11  21 26 o 267.0947 8.365901 2104.172       130.8858 2148.677       137.4935 1674.238       427.3421 269.8438 8.699356 228.7557 32.78959 41.08815       33.92398 
1 1 1 11  21 27 o 186.6103 9.941051 1031.553       108.4048 983.4911       111.8759 1770.225       438.5938 182.0876 10.52105 234.7646 32.74487 -52.67699      34.39359 
1 1 1 11  21 28 o 165.9001 10.93689 818.1899       105.8185 821.6369       109.2797 766.3445       423.8091 166.1792 11.27960 147.9703 44.91175 18.20888       46.30653 
1 1 1 11  21 29 o 76.28307 19.60237 182.9387       88.16586 177.1477       90.48434 291.6176       391.9855 75.09599 20.13436 106.7258 42.23616 -31.62981      46.78980 
1 1 1 11  21 30 o 116.4651 30.48339 449.7852       210.6002 655.6146       237.9160 -295.3471      452.6751 141.3242 29.65234 80.99747 37.94852 60.32676       48.15965 
1 1 1 11  21 31 o 106.5743 15.90938 349.6361       96.39845 368.1301       99.29568 46.51877       401.9941 109.3978 15.94520 89.88520 39.50796 19.51256       42.60432 
1 1 1 11  21 32 o 217.5520 10.00939 1409.790       127.3667 1369.954       133.9471 1785.608       411.4160 214.2137 10.69576 230.5733 31.22621 -16.35968      33.00721 
1 1 1 11  21 33 o 103.3924 15.45472 331.4742       90.84174 360.9314       92.87208 -320.2359      436.8340 108.1123 15.05521 75.31323 35.87362 32.79910       38.90471 
1 1 1 11  21 34 o 91.13380 17.41111 263.6265       89.66660 267.0568       91.98818 198.2276       401.6500 91.60918 17.76278 93.87635 40.38678 -2.267174      44.12039 
1 1 1 11  21 35 o 33.41919 15.73240 -78.22064      79.43072 -65.36078      80.66394 -489.1758      455.9933 34.86117 16.22909 70.68732 34.40001 -35.82615      38.03609 
1 1 1 11  21 36 o 29.86400 14.57995 -145.6615      83.77756 -160.6391      85.43972 228.0865       426.8037 29.46563 14.45609 94.04430 41.03763 -64.57867      43.50937 
1 1 1 11  21 37 o 119.9378 15.60699 451.2340       107.1794 456.7037       109.9897 348.2801       477.1916 120.5006 15.95539 99.99458 43.51685 20.50604       46.34966 
1 1 1 11  21 38 o 146.5871 13.11217 660.9199       111.5361 659.4305       115.0102 684.4616       457.2433 146.1820 13.56997 118.3353 45.97468 27.84665       47.93554 
1 1 1 11  21 39 o 43.77520 19.82448 -37.35611      109.4727 -18.55881      113.4894 -288.8966      415.1560 46.29658 20.63634 69.48991 33.58109 -23.19333      39.41507 
1 1 1 11  21 40 o 60.59518 22.85888 106.5603       110.8397 78.61983       115.2675 449.4249       403.7856 57.19312 22.81577 100.0689 41.63450 -42.87580      47.47622 
1 1 1 11  21 41 o 69.37206 23.60448 162.5844       114.8444 198.8579       118.8477 -348.7989      446.2409 75.43144 23.93146 68.80673 33.60463 6.624710       41.25513 
1 1 1 11  21 42 o 30.58305 15.17795 -224.6792      104.0520 -247.8949      107.4688 123.1084       415.9571 30.39756 15.14188 81.29188 37.49712 -50.89432      40.43897 
1 1 1 11  21 43 f 40.50566 19.06938 -92.73819      116.7263 4.751185       122.3402 -1082.448      389.8025 49.46255 21.76597 49.66168 25.23294 -0.1991234     33.32355 
1 1 1 11  22 0  o 391.2923 15.55363 4533.257       356.2193 0.000000       0.000000 4533.257       356.2193 ?        ?        391.2923 15.55363 0.000000       15.55363 
1 1 1 11  22 1  f 152.1511 8.404424 682.5250       74.70389 0.000000       0.000000 682.5250       74.70389 ?        ?        152.1511 8.404424 0.000000       8.404424 
1 1 1 11  22 2  o 346.6646 7.489740 3530.773       152.2744 4002.572       376.2923 3438.383       166.5179 367.1295 17.52716 342.0243 8.301439 25.10522       19.39370 
1 1 1 11  22 3  o 99.29054 11.39283 294.1469       65.14183 0.000000       0.000000 294.1469       65.14183 ?        ?        99.29054 11.39283 0.000000       11.39283 
1 1 1 11  22 4  o 387.1258 7.707021 4403.826       174.9803 4558.503       369.4588 4359.098       198.6757 392.1737 16.09760 385.0332 8.798244 7.140503       18.34508 
1 1 1 11  22 5  o 400.4097 7.647647 4711.297       179.5903 4688.250       344.7079 4719.884       210.4013 398.0197 14.79287 400.6187 8.955021 -2.599030      17.29223 
1 1 1 11  22 6  o 456.4137 8.287188 6123.943       221.8280 5773.300       376.7493 6310.009       274.4437 441.7628 14.56152 463.0120 10.10673 -21.24921      17.72523 
1 1 1 11  22 7  o 332.1070 7.307371 3240.782       142.3278 2972.435       278.5391 3335.606       165.5758 316.6851 15.04011 336.8238 8.381921 -20.13873      17.21805 
1 1 1 11  22 8  o 232.7021 8.000186 1593.710       109.0196 0.000000       0.000000 1593.710       109.0196 ?        ?        232.7021 8.000186 0.000000       8.000186 
1 1 1 11  22 9  o 349.2513 7.603973 3585.110       155.7504 3197.274       280.2581 3758.416       187.3449 328.4889 14.58381 357.3236 8.946872 -28.83472      17.10947 
1 1 1 11  22 10 o 385.1727 14.17042 4392.582       319.5567 4392.582       319.5567 0.000000       0.000000 385.1727 14.17042 ?        ?        0.000000       14.17042 
1 1 1 11  22 11 o 155.6300 23.58448 742.5051       208.5259 742.5051       208.5259 0.000000       0.000000 155.6300 23.58448 ?        ?        0.000000       23.58448 
1 1 1 11  22 12 o 341.6096 10.81599 3443.468       216.4209 3033.406       271.1162 4163.726       359.3150 319.7969 14.49309 374.2017 16.41258 -54.40475      21.89571 
1 1 1 11  22 13 o 614.5184 16.78323 11225.97       604.3020 11225.97       604.3020 0.000000       0.000000 614.5184 16.78323 ?        ?        0.000000       16.78323 
1 1 1 11  22 14 o 161.1560 18.33702 783.1532       170.2321 557.5993       202.1433 1333.212       315.6739 133.4636 26.75773 208.3103 26.43347 -74.84669      37.61256 
1 1 1 11  22 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  22 16 o 240.7496 14.61517 1723.220       205.3853 1456.184       247.0658 2320.536       369.5131 220.0664 19.33942 276.9373 22.95696 -56.87086      30.01725 
1 1 1 11  22 17 o 152.6926 22.40169 713.7170       194.6457 658.2560       229.9308 853.9761       365.6524 144.8889 28.07299 161.8852 38.98191 -16.99629      48.03835 
1 1 1 11  22 18 o 135.0165 27.20639 571.2945       207.9783 408.0234       247.3950 964.7523       384.0478 113.9215 34.25735 172.2932 38.92795 -58.37166      51.85509 
1 1 1 11  22 19 o 181.4557 21.81584 1000.239       227.5121 746.1766       268.5359 1646.474       428.2793 153.6548 30.87180 229.2818 32.78176 -75.62708      45.03012 
1 1 1 11  22 20 o 370.9500 12.60460 4070.490       273.8190 4201.119       333.3253 3799.403       480.1802 376.1420 15.14100 354.6866 23.21142 21.45535       27.71317 
1 1 1 11  22 21 o 44.85646 22.10778 -433.5441      207.3750 -337.6255      238.4026 -731.7719      420.3719 53.65094 25.80606 66.52442 32.51706 -12.87348      41.51279 
1 1 1 11  22 22 o 83.78701 31.08263 176.1876       203.1878 265.8925       229.7113 -146.3606      435.5838 96.08469 33.35806 88.28571 39.80409 7.798981       51.93386 
1 1 1 11  22 23 o 226.1822 16.08291 1529.931       211.9489 1467.382       249.9404 1690.056       399.9040 220.4699 19.53209 232.4658 30.03345 -11.99593      35.82612 
1 1 1 11  22 24 o 293.0753 13.70117 2554.241       234.8464 2966.955       290.5695 1776.783       398.8085 315.2191 15.76769 238.3085 29.14029 76.91066       33.13271 
1 1 1 11  22 25 o 372.3932 12.20117 4113.080       266.1136 3880.530       320.1169 4633.268       478.7749 360.5855 15.17125 391.0345 20.95340 -30.44907      25.86913 
1 1 1 11  22 26 o 203.4724 17.42987 1250.049       205.9922 1130.195       242.0553 1564.800       392.2578 191.7957 21.91188 221.4765 31.05091 -29.68080      38.00381 
1 1 1 11  22 27 o 144.3946 15.21096 629.1056       126.8797 581.6204       134.4943 1013.192       382.5068 138.3085 16.93358 173.1301 38.65116 -34.82158      42.19785 
1 1 1 11  22 28 o 63.83047 19.46197 124.3371       79.46202 126.3688       80.85104 66.72702       430.5330 64.33897 19.63416 95.70572 41.49490 -31.36675      45.90563 
1 1 1 11  22 29 o 122.1271 14.38321 451.9330       101.0460 450.8163       103.8699 471.6379       436.3083 121.8491 14.84082 120.9328 45.41042 0.9163589      47.77401 
1 1 1 11  22 30 o 79.03967 21.10144 199.1434       99.64764 208.0747       102.3298 35.43979       438.1002 80.72724 21.30631 92.54724 40.93698 -11.82000      46.14970 
1 1 1 11  22 31 o 93.92392 18.05044 277.9236       95.81759 253.6258       98.85548 655.1296       389.4997 89.20832 19.44504 131.5945 43.45403 -42.38616      47.60633 
1 1 1 11  22 32 o 145.3066 12.72628 639.0404       107.3583 636.3508       110.7293 681.2075       438.4327 144.8365 13.17991 130.0907 46.01584 14.74571       47.86614 
1 1 1 11  22 33 o 91.89795 19.27427 271.6772       100.5582 265.8329       103.6022 366.7705       417.9049 90.60806 20.02953 105.1372 42.90335 -14.52910      47.34849 
1 1 1 11  22 34 o 148.5373 12.93203 671.3453       111.5337 705.7010       115.0972 142.1520       451.7231 152.2819 13.01198 92.90442 41.30587 59.37752       43.30688 
1 1 1 11  22 35 o 182.7881 11.46565 1009.308       122.2937 1066.603       127.8960 397.9545       417.7766 187.8258 11.66812 104.1357 42.74183 83.69007       44.30586 
1 1 1 11  22 36 o 134.0059 14.75249 557.7742       114.0258 562.8914       117.6703 478.9803       461.7380 134.4021 15.19443 107.3050 44.57329 27.09711       47.09192 
1 1 1 11  22 37 o 58.42144 21.80126 95.21098       100.2427 73.44247       102.5582 561.0302       474.4219 55.42788 21.70469 110.5695 45.48262 -55.14162      50.39605 
1 1 1 11  22 38 f 128.8566 15.81116 524.1404       116.9857 543.2744       121.9020 301.1737       416.1282 130.9812 16.21503 93.59274 40.68509 37.38843       43.79730 
1 1 1 11  22 39 o 127.6318 17.95639 526.9680       130.6978 538.7690       136.7684 402.8143       443.6146 128.5980 18.68028 98.00512 42.30575 30.59292       46.24640 
1 1 1 11  22 40 o 112.9871 20.55000 428.5691       131.1583 367.1002       136.9792 1106.048       454.7521 102.5439 23.30728 144.8897 46.89852 -42.34581      52.37080 
1 1 1 11  22 41 o 79.11625 24.66675 223.7425       126.7965 203.0372       132.6238 443.9486       432.5096 75.69561 25.36650 97.38787 41.90367 -21.69226      48.98344 
1 1 1 11  22 42 o 59.23508 22.96452 99.03062       113.8979 148.2363       121.9754 -236.0047      318.2804 66.90324 24.20068 61.05339 29.47932 5.849850       38.14058 
1 1 1 11  22 43 o 37.61759 18.23548 -168.0174      124.8581 -164.8534      133.1999 -190.9310      358.4543 39.42422 19.04434 65.43803 31.51826 -26.01381      36.82510 
1 1 1 11  23 0  o 242.2370 7.721938 1726.321       109.5625 0.000000       0.000000 1726.321       109.5625 ?        ?        242.2370 7.721938 0.000000       7.721938 
1 1 1 11  23 1  o 194.3461 8.054041 1112.198       91.60052 0.000000       0.000000 1112.198       91.60052 ?        ?        194.3461 8.054041 0.000000       8.054041 
1 1 1 11  23 2  o 233.9915 7.641693 1610.836       104.7267 0.000000       0.000000 1610.836       104.7267 ?        ?        233.9915 7.641693 0.000000       7.641693 
1 1 1 11  23 3  o 242.3326 8.639996 1729.199       122.5972 2107.082       331.1537 1669.182       131.9743 264.8730 21.50252 237.9840 9.474579 26.88902       23.49736 
1 1 1 11  23 4  f 239.2884 7.316810 1684.149       102.5613 1669.289       303.1695 1686.070       108.9872 235.3307 22.22971 239.3784 7.773497 -4.047668      23.54968 
1 1 1 11  23 5  o 225.2887 7.310323 1493.071       96.46088 1527.164       271.7761 1488.157       103.1785 225.3618 20.79717 224.8642 7.835783 0.4976349      22.22435 
1 1 1 11  23 6  o 226.3450 7.363659 1507.225       97.61954 1321.150       265.6621 1536.272       104.9627 209.1246 21.98940 228.4681 7.845196 -19.34344      23.34697 
1 1 1 11  23 7  o 97.14135 12.69125 283.2058       70.57613 445.8251       230.7988 266.4311       74.12691 118.7362 32.29545 93.95883 13.86839 24.77741       35.14724 
1 1 1 11  23 8  o 209.6861 7.553616 1294.166       92.73954 1230.777       233.6451 1306.021       101.0398 202.2030 19.96253 210.5758 8.197173 -8.372787      21.58000 
1 1 1 11  23 9  o 216.2225 7.505365 1376.050       95.03076 1874.000       248.9745 1291.135       102.8148 250.6192 17.04044 209.3377 8.391480 41.28159       18.99456 
1 1 1 11  23 10 o 248.0869 16.05680 1833.453       232.3670 1833.453       232.3670 0.000000       0.000000 248.0869 16.05680 ?        ?        0.000000       16.05680 
1 1 1 11  23 11 o 266.1849 15.75996 2108.884       244.9293 2108.884       244.9293 0.000000       0.000000 266.1849 15.75996 ?        ?        0.000000       15.75996 
1 1 1 11  23 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  23 13 o 215.8589 19.47471 1401.956       243.8937 1401.956       243.8937 0.000000       0.000000 215.8589 19.47471 ?        ?        0.000000       19.47471 
1 1 1 11  23 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  23 15 o 401.5388 11.45999 4761.683       269.5988 4412.854       324.1205 5544.929       485.6786 385.7586 14.35153 430.6013 19.28084 -44.84271      24.03575 
1 1 1 11  23 16 o 138.7953 27.32635 603.4509       214.5159 481.6207       254.8536 899.5580       397.3174 122.8270 34.14805 165.5205 41.11446 -42.69347      53.44613 
1 1 1 11  23 17 o 72.87598 30.15437 56.14082       210.1802 22.84392       250.8470 134.5959       385.0504 75.84983 32.25494 98.93683 40.86428 -23.08700      52.06026 
1 1 1 11  23 18 o 410.9060 12.73294 4993.958       306.4766 5141.447       387.5358 4747.706       500.7539 415.9385 15.91601 397.4622 21.56291 18.47638       26.80072 
1 1 1 11  23 19 o ?        ?        -925.5541      226.8081 -843.6511      260.1245 -1185.265      463.2083 42.87804 21.65359 61.74562 30.86229 -18.86758      37.70091 
1 1 1 11  23 20 o 384.0256 12.61524 4364.397       283.7374 4535.882       351.5899 4044.144       480.4755 390.6456 15.37631 366.0153 22.49179 24.63031       27.24539 
1 1 1 11  23 21 o 274.1984 13.97926 2234.038       224.0598 2230.042       258.9271 2245.951       447.0591 273.3325 16.22536 269.3710 28.74201 3.961426       33.00554 
1 1 1 11  23 22 o 71.30798 29.13222 69.60307       192.9543 -7.817826      216.4456 369.3200       425.8683 68.17615 29.49047 117.4321 44.69031 -49.25600      53.54355 
1 1 1 11  23 23 o 118.8828 29.34565 453.8813       203.3503 460.2668       230.6152 431.5645       431.1251 119.2388 32.21968 121.6642 45.24927 -2.425415      55.54822 
1 1 1 11  23 24 o 325.7469 13.17251 3154.581       251.1324 3296.978       298.3059 2808.093       465.3246 332.2252 15.35163 301.0207 26.63228 31.20450       30.74005 
1 1 1 11  23 25 o 163.1482 21.61378 820.3467       201.7235 855.2283       229.2605 700.7468       424.5189 165.6074 24.32952 142.6229 45.22722 22.98451       51.35588 
1 1 1 11  23 26 o 366.5740 12.21683 3991.679       262.2790 3899.038       313.3008 4208.683       479.5061 361.1986 14.82137 371.0686 22.13439 -9.869965      26.63840 
1 1 1 11  23 27 o 224.4454 17.92914 1527.208       234.0440 1677.464       277.0460 1152.720       437.3776 234.2029 20.37265 182.0518 41.84274 52.15115       46.53880 
1 1 1 11  23 28 o 172.8334 21.74020 928.2701       215.5005 1011.861       254.6058 717.1038       404.6698 179.0430 24.92172 141.4455 44.06134 37.59744       50.62108 
1 1 1 11  23 29 o 182.1553 19.25801 1022.997       202.6215 997.1644       235.6512 1096.261       396.8544 177.9495 23.12646 176.1511 39.40248 1.798416       45.68795 
1 1 1 11  23 30 o 54.34456 19.89042 76.66675       82.73499 67.82597       84.24030 317.4292       439.6117 53.03677 19.94538 106.6471 43.81640 -53.61035      48.14244 
1 1 1 11  23 31 o 47.45978 20.20979 10.58810       98.71263 25.50705       101.0155 -305.4713      464.9469 49.75026 20.77142 78.57933 37.30935 -28.82907      42.70175 
1 1 1 11  23 32 o 33.31173 16.21367 -168.1435      101.4063 -156.2292      104.5054 -360.1324      419.5109 34.74202 16.80352 71.93384 34.50420 -37.19182      38.37835 
1 1 1 11  23 33 o 244.2537 10.47690 1787.460       149.7315 1812.373       158.0448 1569.162       467.8319 245.6886 10.99630 201.1154 41.05443 44.57327       42.50159 
1 1 1 11  23 34 o 218.9892 11.03364 1443.505       141.2507 1429.568       149.2956 1562.461       436.1842 217.5553 11.74465 202.4400 38.13733 15.11526       39.90479 
1 1 1 11  23 35 o 62.54047 22.50873 116.2640       105.3544 103.7119       108.2882 338.5438       455.6942 60.85359 22.66903 99.71319 42.95925 -38.85960      48.57347 
1 1 1 11  23 36 o 41.57785 19.21083 -67.47490      109.8488 -15.75642      112.9840 -960.7516      469.5556 46.75508 20.72984 60.30142 30.27357 -13.54633      36.69081 
1 1 1 11  23 37 o 217.1512 11.75867 1434.322       149.1927 1464.690       160.5004 1241.304       404.6429 218.8971 12.55484 170.9692 40.90454 47.92783       42.78791 
1 1 1 11  23 38 o 47.17696 20.88945 -10.08041      114.3610 -37.45753      118.7914 336.5405       422.6866 45.56397 20.64114 94.46841 41.03565 -48.90443      45.93453 
1 1 1 11  23 39 o 57.00468 23.03530 74.24303       119.1034 39.06934       123.6538 525.9374       443.1194 53.55212 22.70445 103.5877 43.39479 -50.03556      48.97550 
1 1 1 11  23 40 o 42.22319 19.72123 -81.94699      120.6979 -57.77909      126.5682 -324.5035      400.9697 45.13322 20.76981 65.89666 32.11094 -20.76344      38.24261 
1 1 1 11  23 41 o 67.17991 24.82091 147.4844       129.3327 192.2369       138.0501 -173.6682      369.8145 73.85850 25.84597 67.45158 32.36522 6.406914       41.41885 
1 1 1 11  23 42 o 69.41598 25.08884 163.9570       131.0584 202.3158       140.0209 -107.2314      372.3025 75.12638 26.04597 69.52922 33.11841 5.597160       42.13338 
1 1 1 11  24 0  o 38.71548 16.49788 -0.1415921     65.86356 0.000000       0.000000 -0.1415921     65.86356 ?        ?        38.71548 16.49788 0.000000       16.49788 
1 1 1 11  24 1  o 188.4518 7.940074 1046.040       87.55909 1233.152       320.5955 1030.958       91.01950 199.9877 28.10875 187.0454 8.318110 12.94226       29.31370 
1 1 1 11  24 2  o 72.56107 17.03681 162.4943       71.25356 -181.4192      309.3716 181.7594       73.22208 71.78818 32.82579 76.81728 16.72803 -5.029099      36.84236 
1 1 1 11  24 3  o 60.50758 18.02176 110.2773       68.71571 -10.00202      255.9387 119.6211       71.33485 74.33212 32.11060 62.79106 18.27280 11.54106       36.94571 
1 1 1 11  24 4  o 141.6353 9.285047 592.9891       76.70167 666.9446       247.7028 585.1459       80.66643 145.5084 30.02280 140.6216 9.843321 4.886795       31.59525 
1 1 1 11  24 5  o 220.4871 7.377915 1430.629       95.26979 1853.187       282.4219 1376.371       101.2016 248.5487 19.53158 216.1934 7.995459 32.35527       21.10473 
1 1 1 11  24 6  o 191.6900 7.761428 1082.222       87.07484 1172.661       265.6154 1071.333       92.16813 196.2129 23.55227 190.6662 8.262067 5.546753       24.95940 
1 1 1 11  24 7  o 430.9858 8.279053 5464.148       209.2638 5105.264       364.2206 5641.000       255.6775 414.8361 14.99521 437.5949 9.962534 -22.75876      18.00301 
1 1 1 11  24 8  o 210.1568 7.730612 1300.486       95.11895 1326.623       244.7553 1295.836       103.2337 209.8028 20.13865 209.7006 8.411110 0.1022034      21.82457 
1 1 1 11  24 9  o 104.5521 13.03723 328.0020       78.20859 303.0477       224.2682 331.4569       83.44706 100.4534 32.96358 104.9492 13.89892 -4.495743      35.77398 
1 1 1 11  24 10 o 309.5224 15.32841 2848.053       277.3873 2848.053       277.3873 0.000000       0.000000 309.5224 15.32841 ?        ?        0.000000       15.32841 
1 1 1 11  24 11 f 525.3372 15.56233 8194.996       478.9435 8194.996       478.9435 0.000000       0.000000 525.3372 15.56233 ?        ?        0.000000       15.56233 
1 1 1 11  24 12 o 203.7156 15.87793 1239.084       188.2033 1182.522       236.6879 1336.336       310.3579 197.7411 20.71646 208.6444 25.92051 -10.90326      33.18199 
1 1 1 11  24 13 o 326.1525 15.88836 3164.705       302.9994 3164.705       302.9994 0.000000       0.000000 326.1525 15.88836 ?        ?        0.000000       15.88836 
1 1 1 11  24 14 o 155.5842 22.60643 741.1782       200.2440 630.2454       235.7013 1028.945       379.6229 141.3010 29.40073 178.5072 37.45802 -37.20618      47.61834 
1 1 1 11  24 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  24 16 o 287.2312 15.11178 2452.069       253.6689 2084.356       306.5596 3250.612       451.7622 263.4022 19.99408 327.8248 23.65638 -64.42261      30.97398 
1 1 1 11  24 17 o 341.5510 13.61854 3456.917       272.2482 3580.000       333.5258 3211.153       471.2900 346.7651 16.44686 325.1995 24.90025 21.56558       29.84161 
1 1 1 11  24 18 f 137.5488 29.40330 598.7094       230.0034 839.7385       273.9905 23.55007       423.2478 163.4391 29.67711 95.79378 41.33704 67.64529       50.88695 
1 1 1 11  24 19 o 140.5134 28.13724 622.2537       223.7798 593.2083       259.1030 707.5278       443.9583 135.8522 32.87842 146.4780 46.22613 -10.62575      56.72606 
1 1 1 11  24 20 o 351.6299 13.29206 3667.008       273.6189 3806.671       330.6740 3363.737       487.2763 357.4433 15.81316 331.9141 25.22101 25.52917       29.76836 
1 1 1 11  24 21 o 84.20530 32.01187 168.4442       218.3678 115.5442       248.9757 344.7888       454.5800 82.52232 33.31999 117.1835 45.75138 -34.66122      56.59868 
1 1 1 11  24 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  24 23 o 291.5276 14.28949 2534.398       243.5688 2475.931       280.1031 2715.697       493.2419 287.2655 16.69783 294.4606 28.93487 -7.195068      33.40725 
1 1 1 11  24 24 o 88.70928 30.92988 229.9115       197.5952 293.0179       220.7112 -24.90034      443.5038 97.62263 32.72379 93.06748 41.17685 4.555145       52.59638 
1 1 1 11  24 25 o 188.1480 18.86211 1077.473       205.3288 1149.893       232.9043 824.8165       435.0241 193.6694 20.83249 152.9359 45.29348 40.73349       49.85471 
1 1 1 11  24 26 o 173.4573 21.64010 930.6517       215.3666 870.2195       243.9433 1144.205       458.5723 165.8259 25.93226 179.8951 43.86585 -14.06915      50.95778 
1 1 1 11  24 27 o 100.6530 32.58705 327.1453       219.5493 427.4088       252.6431 17.87331       443.7173 113.0868 34.74501 93.42808 41.26845 19.65871       53.94720 
1 1 1 11  24 28 o 157.3721 23.13294 782.6337       207.1390 922.6279       235.1587 297.9533       437.5561 170.5479 24.18839 107.3948 43.87169 63.15305       50.09794 
1 1 1 11  24 29 f 97.91196 31.41715 320.1639       204.3694 362.0757       229.6024 160.3053       448.4110 103.2859 33.31509 98.14191 42.44969 5.144020       53.96176 
1 1 1 11  24 30 f 72.54140 29.39184 109.8399       194.4905 180.8371       217.5524 -172.7792      434.0540 81.66853 31.71697 80.58429 37.55893 1.084244       49.15933 
1 1 1 11  24 31 o 73.93274 29.71903 126.5324       197.1113 50.46640       217.2461 480.7684       468.8168 69.44801 29.78711 113.9477 45.82304 -44.49967      54.65366 
1 1 1 11  24 32 o 131.0475 25.19687 574.4422       186.6214 553.9675       207.9742 659.0739       422.8311 126.3881 28.71323 125.2955 45.09313 1.092651       53.45877 
1 1 1 11  24 33 o 90.33151 22.49870 272.2176       118.7413 291.7836       122.6060 -23.54599      476.6866 93.51231 22.60756 86.43755 39.96658 7.074768       45.91763 
1 1 1 11  24 34 o 147.4465 15.46063 676.4515       131.7082 731.5919       137.7248 86.39263       450.5316 153.3528 15.52707 87.80621 39.94294 65.54655       42.85474 
1 1 1 11  24 35 o 71.15800 23.94760 165.9067       118.1926 159.2243       122.3076 260.2303       459.5115 70.25771 24.34363 94.73919 41.91508 -24.48148      48.47150 
1 1 1 11  24 36 o 138.6604 15.61703 603.9211       124.7932 643.2802       130.8565 208.4843       414.7736 143.0002 15.86990 89.36311 39.66447 53.63707       42.72147 
1 1 1 11  24 37 o 48.94298 21.81126 -16.05534      126.7094 -0.1951117     132.6984 -179.9592      426.5850 51.39953 22.64160 73.41399 35.10127 -22.01445      41.77010 
1 1 1 11  24 38 o 46.93014 21.18483 -30.86929      123.8272 -33.47408      130.9561 -8.879948      380.4918 48.00933 21.71814 75.57989 35.20599 -27.57056      41.36592 
1 1 1 11  24 39 o 59.20230 24.53384 73.08389       139.4231 145.2425       148.4591 -466.1375      405.8320 68.40740 26.29839 62.80867 30.95017 5.598736       40.61427 
1 1 1 11  24 40 o 57.54194 24.12407 63.13360       137.1075 34.19009       144.1118 339.3594       445.2009 55.57162 24.05081 91.40757 40.79992 -35.83595      47.36111 
1 1 1 11  24 41 o 56.07537 23.94661 47.24185       139.2913 33.67922       147.3349 161.3790       427.4124 55.83986 24.24187 82.71252 38.10110 -26.87266      45.15929 
1 1 1 11  25 0  o 218.5597 8.265194 1407.247       105.7524 0.000000       0.000000 1407.247       105.7524 ?        ?        218.5597 8.265194 0.000000       8.265194 
1 1 1 11  25 1  o 218.3308 7.743280 1403.517       98.99252 1718.540       311.1091 1368.029       104.4196 238.2662 22.53147 215.4865 8.277894 22.77963       24.00397 
1 1 1 11  25 2  o 68.43137 18.11642 144.4036       73.83833 0.000000       0.000000 144.4036       73.83833 ?        ?        68.43137 18.11642 0.000000       18.11642 
1 1 1 11  25 3  o 292.0426 7.396795 2509.085       126.5874 2322.979       297.0961 2550.366       139.9244 278.6863 18.27825 294.3408 8.113479 -15.65445      19.99807 
1 1 1 11  25 4  o 118.4087 10.54893 416.5361       72.48965 624.0761       258.4056 398.8086       75.52215 139.8880 32.16920 115.7331 11.26925 24.15497       34.08597 
1 1 1 11  25 5  o 248.6178 7.365463 1818.825       107.2763 2076.115       290.1811 1778.095       115.4556 263.1870 18.92622 245.7363 8.021903 17.45067       20.55609 
1 1 1 11  25 6  o 158.1370 8.746059 738.2527       80.79818 911.2195       252.1958 718.4682       85.29407 171.8066 25.82770 155.9191 9.370827 15.88750       27.47512 
1 1 1 11  25 7  o 110.8390 12.43022 367.4166       79.41145 91.78001       233.2703 403.5474       84.45590 79.05784 32.13135 116.1960 12.59448 -37.13815      34.51151 
1 1 1 11  25 8  o 124.2327 11.59020 459.4307       83.47116 256.1677       259.4022 482.9084       88.16009 97.41857 35.28479 127.3364 11.94452 -29.91785      37.25169 
1 1 1 11  25 9  o 193.8677 9.846184 1110.191       111.5834 0.000000       0.000000 1110.191       111.5834 ?        ?        193.8677 9.846184 0.000000       9.846184 
1 1 1 11  25 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  25 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  25 12 o 264.7757 14.45903 2082.582       223.6746 1812.609       276.0654 2598.469       381.6181 245.6964 19.31371 293.3624 22.34884 -47.66600      29.53794 
1 1 1 11  25 13 o 104.6355 31.13526 341.9168       205.1772 598.8289       247.7456 -219.0420      366.0827 137.1361 31.47186 77.27776 35.47454 59.85836       47.42279 
1 1 1 11  25 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  25 15 o 299.7927 14.61639 2668.916       256.2129 2330.198       304.6481 3487.424       473.5774 278.9343 18.73144 339.3981 23.94571 -60.46387      30.40171 
1 1 1 11  25 16 o 197.6680 20.88564 1182.614       238.4653 972.1758       282.7534 1701.017       443.7917 176.6851 28.23732 232.4874 33.51512 -55.80228      43.82476 
1 1 1 11  25 17 o 80.68916 31.17418 140.4473       209.3510 30.93587       242.0667 465.4401       417.0061 75.08792 31.79791 125.3044 44.81941 -50.21645      54.95350 
1 1 1 11  25 18 o 61.87483 28.11064 -115.0657      222.2553 -326.2144      254.9821 552.7483       453.4644 56.68914 27.11364 133.3008 46.82832 -76.61165      54.11138 
1 1 1 11  25 19 o 133.8768 29.27685 571.0773       223.4507 673.6501       256.3552 246.6813       455.8939 145.0660 31.06809 111.0333 44.99533 34.03271       54.67912 
1 1 1 11  25 20 o 245.5477 16.88703 1807.743       241.7058 1694.533       277.0683 2168.272       494.4399 236.5927 20.15987 261.5039 32.97062 -24.91118      38.64559 
1 1 1 11  25 21 o 290.0263 14.77471 2509.844       250.4803 2471.910       292.7101 2613.600       484.0899 286.8356 17.48324 289.1302 28.93682 -2.294617      33.80833 
1 1 1 11  25 22 o 126.3722 29.30256 515.5280       212.9431 345.2559       243.2089 1074.781       440.7700 104.8171 34.32349 176.7970 42.94172 -71.97995      54.97356 
1 1 1 11  25 23 o 186.1006 19.24331 1054.793       207.0022 1044.153       240.7794 1084.938       405.2741 183.7906 22.82862 178.9560 39.65799 4.834641       45.75918 
1 1 1 11  25 24 o 204.4521 17.98666 1267.041       213.4751 1345.785       244.1384 1011.305       439.9714 209.9349 20.07318 169.7022 43.88322 40.23267       48.25629 
1 1 1 11  25 25 o 268.9370 14.36096 2165.698       225.6872 1991.337       254.0671 2817.980       491.4063 256.8001 16.96455 298.3734 28.42518 -41.57330      33.10268 
1 1 1 11  25 26 o 185.5157 19.85992 1058.997       212.7187 1200.021       248.6617 674.2010       410.7504 196.6235 21.93694 137.1992 44.58451 59.42430       49.68911 
1 1 1 11  25 27 o 137.7770 27.24537 619.7386       212.3477 871.1287       249.9562 -32.23456      402.5360 164.1571 26.89334 86.18667 38.60897 77.97045       47.05215 
1 1 1 11  25 28 o 120.0886 29.28002 486.8399       204.3272 528.3936       228.1358 318.3474       459.3873 124.1790 31.33129 107.5727 44.55211 16.60625       54.46595 
1 1 1 11  25 29 o 65.27679 28.27305 20.20362       199.4639 -109.1690      218.9444 651.6985       483.7240 59.35652 27.31596 127.5742 47.83313 -68.21767      55.08330 
1 1 1 11  25 30 o 69.67448 28.72072 90.35149       189.6984 154.3372       205.4587 -279.3728      493.8806 77.44604 30.60039 80.87115 38.41343 -3.425117      49.11186 
1 1 1 11  25 31 o 67.38402 28.69303 56.94625       198.9634 48.05696       223.8571 90.37863       434.1314 69.57729 30.04355 89.65737 40.13474 -20.08008      50.13395 
1 1 1 11  25 32 o 239.8660 16.08656 1778.437       224.9905 2037.081       254.0704 838.6107       484.3132 256.0073 17.01860 135.0051 48.29984 121.0023       51.21042 
1 1 1 11  25 33 o 108.5424 29.01024 421.8851       188.2109 534.0557       211.2726 -9.414989      414.2795 121.8486 29.81283 81.71382 37.59388 40.13474       47.98026 
1 1 1 11  25 34 o 60.92614 27.29605 -14.48784      201.2602 18.57385       221.5138 -170.8853      481.7849 65.64005 29.06840 79.29115 37.74182 -13.65109      47.63839 
1 1 1 11  25 35 o 68.25481 28.53124 98.19214       190.9262 198.1579       212.7406 -315.6326      432.8456 79.33739 31.20245 70.78567 34.22717 8.551727       46.31513 
1 1 1 11  25 36 o 54.72586 22.60354 54.14009       117.8094 15.83715       121.7602 615.8047       466.2596 51.13828 22.11962 111.0172 45.31197 -59.87892      50.42273 
1 1 1 11  25 37 o 46.22628 21.06836 -45.08816      126.1004 -46.88143      133.1035 -29.37925      393.9488 47.37450 21.61236 75.79430 35.47546 -28.41980      41.54037 
1 1 1 11  25 38 f 190.0341 15.94697 1144.325       176.0919 1011.116       194.2548 1758.397       417.0762 175.7308 19.15822 209.4292 35.20453 -33.69843      40.07988 
1 1 1 11  25 39 o 85.43720 26.74878 270.3196       148.9422 317.5662       157.5634 -126.3235      456.5308 92.06415 27.25703 74.66517 35.86138 17.39898       45.04425 
1 1 1 11  25 40 o 97.91276 27.72201 364.0935       166.3564 336.2138       178.4768 548.6970       459.2593 92.88911 29.30878 101.2722 43.37050 -8.383095      52.34506 
1 1 1 11  25 41 o 56.54217 24.66604 34.58657       154.0986 157.6764       166.4807 -701.7759      407.1914 69.92297 27.57090 56.84631 28.48983 13.07666       39.64625 
1 1 1 11  26 0  o 267.1968 8.591498 2103.413       134.4577 0.000000       0.000000 2103.413       134.4577 ?        ?        267.1968 8.591498 0.000000       8.591498 
1 1 1 11  26 1  o 310.4723 8.477365 2838.830       154.2153 0.000000       0.000000 2838.830       154.2153 ?        ?        310.4723 8.477365 0.000000       8.477365 
1 1 1 11  26 2  o 168.4686 8.844820 837.7732       87.08323 137.2859       255.5226 929.8248       92.62851 85.66973 34.03745 177.4963 8.926913 -91.82655      35.18860 
1 1 1 11  26 3  o 53.63177 18.58540 77.64598       71.29077 334.1015       265.9883 57.79742       73.99816 105.9936 35.92464 50.23730 18.73436 55.75632       40.51612 
1 1 1 11  26 4  o 164.5560 9.013326 799.6148       86.65384 953.2021       281.0952 783.4865       91.09010 174.8622 28.38212 162.8088 9.582246 12.05334       29.95604 
1 1 1 11  26 5  o 199.0742 8.163480 1167.909       95.10829 949.0121       272.9912 1198.149       101.4652 174.7554 27.54714 201.5845 8.602194 -26.82915      28.85901 
1 1 1 11  26 6  o 349.7816 7.773307 3598.473       159.4606 3404.325       327.4339 3658.836       182.5742 338.0365 16.56664 352.4388 8.839912 -14.40234      18.77758 
1 1 1 11  26 7  o 258.1594 7.926653 1962.231       119.8708 2098.071       304.7166 1937.361       130.3831 264.2336 19.80751 256.4132 8.682751 7.820374       21.62701 
1 1 1 11  26 8  o 36.94005 16.99482 -62.73915      84.66094 229.3432       250.1914 -100.5086      89.96838 93.93834 34.55454 35.26521 16.64487 58.67313       38.35450 
1 1 1 11  26 9  f 142.7601 15.05438 610.7177       124.1479 664.6253       282.7353 597.8414       138.1815 143.8371 34.04824 140.7973 17.08328 3.039749       38.09359 
1 1 1 11  26 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  26 11 o 221.4329 22.39982 1486.463       286.8995 1486.463       286.8995 0.000000       0.000000 221.4329 22.39982 ?        ?        0.000000       22.39982 
1 1 1 11  26 12 o 177.5419 21.76820 958.4588       221.9224 920.5686       266.4312 1044.310       401.0477 172.2401 27.28361 179.1561 39.25632 -6.915955      47.80643 
1 1 1 11  26 13 o 288.9074 14.77570 2479.974       249.5241 2254.660       302.0592 2964.094       442.7659 274.2859 18.89293 312.5676 24.34536 -38.28165      30.81621 
1 1 1 11  26 14 o 133.4272 28.52585 562.0629       216.4562 517.2484       252.5518 686.0920       420.1487 127.0115 33.44837 144.7948 44.86253 -17.78333      55.95927 
1 1 1 11  26 15 o 275.1575 14.87531 2251.904       239.1554 2031.939       285.3972 2770.573       438.2459 260.2150 18.82843 301.6028 25.00047 -41.38782      31.29750 
1 1 1 11  26 16 o 70.18037 30.24535 -2.092427      226.0194 107.2284       269.7614 -259.6099      414.0298 84.48891 34.47285 80.95080 37.36493 3.538109       50.83813 
1 1 1 11  26 17 o 82.09940 32.46534 131.6560       231.4370 -117.4210      264.1265 955.2085       480.2758 68.16950 30.84031 167.2099 47.02061 -99.04038      56.23222 
1 1 1 11  26 18 o 203.1785 20.18040 1251.810       237.2934 1282.633       275.0970 1162.209       469.0339 204.5746 23.34636 185.2995 43.84765 19.27513       49.67564 
1 1 1 11  26 19 o 140.5663 29.31343 632.1782       233.8201 613.6671       264.1229 699.2490       502.7554 137.1845 33.19196 144.2425 49.38065 -7.057999      59.49920 
1 1 1 11  26 20 o 253.1450 17.02650 1925.964       251.3113 1945.223       293.5576 1873.124       486.2557 253.2900 19.92196 240.2714 35.58141 13.01866       40.77893 
1 1 1 11  26 21 o 199.0814 20.28405 1209.294       233.5249 1092.597       269.3750 1562.278       468.4944 187.1857 25.17543 216.9629 38.21407 -29.77725      45.76152 
1 1 1 11  26 22 o 74.32166 29.76999 101.5956       197.0562 285.1017       218.7527 -688.2619      453.8396 96.44289 32.57961 70.23920 34.21261 26.20368       47.24334 
1 1 1 11  26 23 o 155.6742 23.59970 757.8767       208.7161 844.6300       236.6484 454.0857       442.8413 163.7112 25.47603 121.5627 45.72736 42.14854       52.34520 
1 1 1 11  26 24 o 176.0616 22.01941 961.8467       222.4057 1046.301       256.5510 706.4078       446.1758 182.5468 24.58810 140.7025 46.51012 41.84424       52.60957 
1 1 1 11  26 25 o 182.0594 20.68750 1025.205       216.9754 925.0969       248.8863 1342.229       442.9076 170.4959 25.68754 196.4332 39.81073 -25.93736      47.37873 
1 1 1 11  26 26 o 180.8524 19.60293 1011.736       204.5990 961.2124       230.8103 1197.052       442.0439 174.5025 23.12136 181.4059 42.32669 -6.903473      48.23014 
1 1 1 11  26 27 o 81.57166 30.72011 186.4765       199.9957 304.4672       224.2216 -272.7420      442.3474 96.22299 32.97639 78.69640 37.07156 17.52659       49.61596 
1 1 1 11  26 28 o 203.0856 17.38668 1273.020       205.0935 1383.635       230.8022 857.8209       447.1573 210.8679 18.86187 144.7759 46.47345 66.09200       50.15527 
1 1 1 11  26 29 o 66.13168 28.47980 35.46811       200.1214 235.4533       222.1647 -824.9312      460.8146 86.87807 32.44878 64.24739 31.89473 22.63068       45.49942 
1 1 1 11  26 30 o 92.99225 31.64727 298.7460       206.4412 289.5849       226.8082 342.9919       498.4505 92.26831 33.04808 105.0370 45.08670 -12.76865      55.90158 
1 1 1 11  26 31 o 187.1394 19.70374 1113.344       213.0129 1226.126       235.3716 602.8935       500.7386 195.5916 20.83942 118.2825 47.42947 77.30910       51.80575 
1 1 1 11  26 32 f 58.42886 26.51564 -49.71571      197.0757 92.07390       221.5450 -587.3275      431.3939 71.70981 30.39610 65.05186 32.02739 6.657944       44.15514 
1 1 1 11  26 33 o 78.16995 30.67464 185.0621       205.2081 227.7807       225.7488 -18.15326      492.3742 83.45807 32.33732 84.92078 39.71889 -1.462708      51.21809 
1 1 1 11  26 34 o 110.9450 28.73791 448.7023       188.4699 455.7504       209.0290 418.0676       435.7922 110.0563 31.04547 101.4482 42.79807 8.608070       52.87245 
1 1 1 11  26 35 o 38.46616 19.31604 -492.0424      191.7288 -453.3488      209.7900 -688.1812      472.3308 42.24279 21.06044 64.41901 32.03217 -22.17623      38.33538 
1 1 1 11  26 36 o 84.24964 32.00786 257.5458       218.2258 200.0200       249.0127 447.9911       453.0804 79.92625 32.92214 100.0218 42.96071 -20.09551      54.12476 
1 1 1 11  26 37 o 48.37645 23.40276 -231.5599      202.9661 12.87043       236.7786 -908.7711      394.1186 65.05869 29.33817 53.14971 26.81799 11.90899       39.74837 
1 1 1 11  26 38 o 55.06335 22.85679 58.18699       121.2969 50.09131       126.4632 151.2425       428.7542 54.85934 23.09438 83.17880 38.25954 -28.31946      44.68940 
1 1 1 11  26 39 o 60.04503 24.27257 91.37309       132.2945 99.74493       138.5528 4.931164       445.2125 61.64313 24.86806 77.65919 36.76577 -16.01607      44.38628 
1 1 1 11  26 40 o 81.74328 27.32835 250.6955       153.9426 187.9682       164.1745 707.3964       442.9895 73.45683 27.79573 110.3626 44.48618 -36.90575      52.45591 
1 1 1 11  27 0  o 308.9546 8.943041 2812.644       161.8726 0.000000       0.000000 2812.644       161.8726 ?        ?        308.9546 8.943041 0.000000       8.943041 
1 1 1 11  27 1  o 385.6755 8.228169 4376.620       186.1126 4556.136       389.5924 4323.540       211.8486 390.9821 17.03123 383.1266 9.428289 7.855591       19.46678 
1 1 1 11  27 2  f 210.9082 8.571749 1311.323       105.8054 763.8389       288.3843 1396.483       113.7369 154.6738 32.80901 217.6115 8.930851 -62.93767      34.00281 
1 1 1 11  27 3  o 120.5266 12.22706 433.4535       85.23355 690.3568       284.2234 408.0674       89.34557 146.6402 33.74937 116.7197 13.28839 29.92048       36.27122 
1 1 1 11  27 4  o 314.5333 7.856292 2909.949       144.9221 3117.545       348.7724 2866.626       159.3280 322.8199 18.49923 311.9526 8.717240 10.86728       20.45022 
1 1 1 11  27 5  o 56.05997 20.17055 79.76324       84.59600 139.1115       294.4142 74.42235       88.32051 90.03197 36.27529 55.71812 20.52450 34.31385       41.67915 
1 1 1 11  27 6  o 54.86683 20.19112 72.24430       85.43988 139.3492       291.5600 65.94034       89.36301 89.76845 36.12362 54.47625 20.53072 35.29219       41.55028 
1 1 1 11  27 7  o 155.7066 11.23382 718.9783       101.8956 826.2596       315.7478 706.5070       107.6554 160.4988 34.56664 154.2217 11.99685 6.277100       36.58931 
1 1 1 11  27 8  o 158.6337 12.06365 747.3525       111.3925 572.7809       288.1853 778.0158       120.7799 133.2844 36.01855 161.7409 12.83806 -28.45653      38.23809 
1 1 1 11  27 9  o 267.9952 11.29246 2122.832       177.0891 1954.442       304.7122 2208.714       217.6120 254.7809 20.56726 272.8832 13.64064 -18.10236      24.67953 
1 1 1 11  27 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  27 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  27 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  27 13 o 292.8481 14.42195 2548.209       246.9329 2683.254       299.6340 2262.334       435.9519 299.7341 17.11645 271.0620 27.81757 28.67218       32.66175 
1 1 1 11  27 14 o 237.0890 20.35621 1697.372       280.3101 1697.372       280.3101 0.000000       0.000000 237.0890 20.35621 ?        ?        0.000000       20.35621 
1 1 1 11  27 15 o 118.7145 32.65615 453.0337       234.4508 454.0742       274.0900 450.1965       452.6054 119.0357 36.11539 124.9815 46.38562 -5.945801      58.78730 
1 1 1 11  27 16 o 120.3675 33.04942 467.8964       240.3852 203.2030       276.5578 1285.863       486.1634 93.07288 35.86429 195.3584 43.54517 -102.2855      56.41303 
1 1 1 11  27 17 o 455.8276 12.34960 6157.851       329.8403 5763.585       388.3826 7178.012       624.7397 439.8423 15.07839 486.7239 21.94240 -46.88156      26.62380 
1 1 1 11  27 18 o 150.7619 27.76879 721.1888       236.4827 775.8112       265.3181 510.0770       521.6003 155.5294 30.17617 130.3956 49.49763 25.13373       57.97083 
1 1 1 11  27 19 o 103.9705 31.21341 346.1123       205.5088 214.2227       225.8246 981.7704       495.7671 89.11998 32.82077 166.2781 48.10840 -77.15814      58.23763 
1 1 1 11  27 20 o 247.0979 15.76026 1831.945       227.2027 1729.553       256.0314 2211.355       492.8503 239.0824 18.40124 262.3907 32.73718 -23.30838      37.55434 
1 1 1 11  27 21 o 112.4495 30.21161 412.1234       203.4688 417.4337       224.9198 388.1997       477.4002 112.9083 32.32278 118.7519 46.73016 -5.843643      56.81963 
1 1 1 11  27 22 o 240.4583 16.71979 1744.307       234.3190 1922.538       274.1214 1260.750       451.5186 251.6296 18.70895 190.8677 41.52002 60.76187       45.54050 
1 1 1 11  27 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  27 24 o 76.46344 30.26562 126.7344       201.3144 144.9891       227.0316 59.57498       435.4638 80.90356 32.10314 94.24654 41.28127 -13.34298      52.29488 
1 1 1 11  27 25 o 53.56415 24.94964 -143.4436      191.0559 -166.9443      213.6552 -49.65233      426.8288 56.02998 26.19246 87.05092 39.31047 -31.02094      47.23725 
1 1 1 11  27 26 o 161.7484 21.27732 825.9104       196.9501 964.3660       219.5493 255.3313       445.6918 174.5834 21.92496 102.6408 43.29028 71.94254       48.52579 
1 1 1 11  27 27 o 140.3428 26.37730 654.5684       209.1372 718.1531       233.7876 399.8493       467.9247 145.8917 28.34542 110.1819 45.23013 35.70984       53.37815 
1 1 1 11  27 28 o 281.3144 14.35718 2407.277       236.0874 2358.393       265.0400 2595.071       519.4778 276.9343 16.39197 272.1841 33.23091 4.750122       37.05388 
1 1 1 11  27 29 o 73.56331 29.97173 121.7662       203.5596 86.94403       222.7086 298.5367       501.7812 72.42714 30.57715 102.7464 44.67020 -30.31921      54.13307 
1 1 1 11  27 30 o 131.3663 28.13230 599.0771       210.2075 588.1329       236.8677 639.6501       456.0709 127.4035 31.80238 121.1982 46.21804 6.205292       56.10257 
1 1 1 11  27 31 o 65.07364 28.43654 29.34642       205.5718 75.71498       227.4174 -177.8148      480.6912 70.97381 30.45960 80.11740 38.00949 -9.143593      48.70840 
1 1 1 11  27 32 o 160.5593 21.87650 849.5645       200.6456 924.6841       224.7073 554.0786       445.6655 166.0329 23.75260 111.1637 44.68640 54.86925       50.60692 
1 1 1 11  27 33 o 66.51199 28.50227 68.64297       198.5796 -41.56889      217.0240 635.6033       492.2321 60.84134 27.69447 113.8557 46.52407 -53.01440      54.14307 
1 1 1 11  27 34 o 128.6964 28.66289 604.2431       210.7891 744.4130       238.6676 107.1998       449.4312 142.4367 29.54059 85.30892 39.21442 57.12777       49.09600 
1 1 1 11  27 35 o 44.89621 21.98373 -294.0108      194.6641 -221.8611      214.1425 -637.3579      467.1458 50.61646 24.37480 64.46512 32.02156 -13.84866      40.24315 
1 1 1 11  27 36 o 43.76407 21.63151 -360.4192      203.5495 -386.4622      231.6075 -272.0446      426.6494 46.90617 23.16417 69.44935 33.67627 -22.54317      40.87383 
1 1 1 11  27 37 f 64.50546 28.41527 50.58015       209.0125 -2.260525      236.3169 240.4249       447.9297 63.74557 28.97064 87.64389 39.85283 -23.89832      49.27013 
1 1 1 11  27 38 o 95.97184 33.96050 389.1217       238.8203 446.7390       285.8197 255.8490       434.6967 99.57478 36.87885 86.94781 39.42707 12.62697       53.98651 
1 1 1 11  27 39 o 68.67706 30.23558 85.72760       236.3337 21.86026       293.8959 202.6046       397.5746 69.24901 31.78751 83.11788 37.69658 -13.86887      49.31002 
1 1 1 11  28 0  o 216.1240 10.17689 1379.772       128.6315 0.000000       0.000000 1379.772       128.6315 ?        ?        216.1240 10.17689 0.000000       10.17689 
1 1 1 11  28 1  o 412.1379 8.681673 4999.541       209.8440 4805.518       403.8375 5071.307       245.6055 401.5278 17.18884 414.8126 10.09568 -13.28482      19.93437 
1 1 1 11  28 2  o 163.6177 10.62679 792.6812       101.4208 847.8517       322.9437 786.6443       106.8255 162.4467 34.93571 162.8957 11.25100 -0.4489288     36.70271 
1 1 1 11  28 3  o 222.5749 9.026372 1460.909       117.5812 1635.609       348.7255 1438.501       124.8948 230.9585 26.20819 220.7665 9.669751 10.19200       27.93516 
1 1 1 11  28 4  o 354.8048 8.580796 3704.884       178.5532 3171.646       365.6408 3871.862       204.6081 325.3779 19.24689 362.4150 9.634997 -37.03708      21.52384 
1 1 1 11  28 5  o 156.9125 12.44676 731.9601       113.6041 0.000000       0.000000 731.9601       113.6041 ?        ?        156.9125 12.44676 0.000000       12.44676 
1 1 1 11  28 6  o 245.7428 8.997610 1780.292       129.4568 2779.458       382.2172 1650.817       137.5890 303.6739 21.60216 236.4848 9.942598 67.18901       23.78043 
1 1 1 11  28 7  o 369.3032 8.642721 4014.239       187.1906 4115.379       386.5616 3983.257       213.9487 371.2904 17.80418 367.5239 9.935096 3.766510       20.38860 
1 1 1 11  28 8  o 313.0559 9.092866 2888.222       166.7680 2621.209       347.6666 2968.020       190.0611 295.3133 20.19534 317.1459 10.23181 -21.83255      22.63938 
1 1 1 11  28 9  o 60.61560 23.32684 75.89517       116.8885 511.1808       296.7844 -4.021920      127.1668 126.1882 37.42092 52.99371 22.76069 73.19452       43.79925 
1 1 1 11  28 10 o 49.12198 22.71904 -119.9326      154.1908 -238.1962      270.2646 -62.86342      187.7433 62.99512 29.45182 59.52518 26.53695 3.469944       39.64366 
1 1 1 11  28 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  28 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  28 13 o 358.6679 13.79869 3819.999       289.7143 3593.606       343.4435 4378.570       539.4655 346.7615 16.93909 379.1339 24.39106 -32.37244      29.69607 
1 1 1 11  28 14 o 432.9342 16.27974 5593.251       412.6154 5593.251       412.6154 0.000000       0.000000 432.9342 16.27974 ?        ?        0.000000       16.27974 
1 1 1 11  28 15 o 265.4732 16.73077 2112.389       259.1629 1941.530       307.8278 2528.290       480.2692 252.9124 20.94083 284.5513 29.19233 -31.63882      35.92646 
1 1 1 11  28 16 o 81.77824 32.95707 119.6104       243.0746 -134.8531      279.5810 907.5984       491.9883 68.99000 31.41526 160.7032 48.30642 -91.71323      57.62316 
1 1 1 11  28 17 o 96.44795 31.97681 285.8836       210.8569 205.7900       237.8003 580.4652       456.0540 89.25160 33.52246 133.0254 46.94252 -43.77377      57.68324 
1 1 1 11  28 18 o 96.63026 31.45098 290.8441       204.3552 241.5659       225.6995 515.0366       481.4087 91.93786 32.96276 128.2676 47.79393 -36.32977      58.05862 
1 1 1 11  28 19 f 137.0368 26.69438 599.0205       206.8235 538.6598       230.9268 843.7302       464.9676 128.2968 31.03266 154.0043 47.10186 -25.70744      56.40578 
1 1 1 11  28 20 o 77.11488 31.19757 105.2174       218.7453 190.6025       246.1124 -215.9338      477.3064 87.94164 33.84686 87.36640 40.25164 0.5752335      52.59092 
1 1 1 11  28 21 o 92.60573 32.99726 253.5466       225.8142 171.9816       257.2982 526.9905       471.1064 86.88168 34.27022 126.8776 47.27903 -39.99590      58.39310 
1 1 1 11  28 22 o 194.1293 20.22566 1160.691       226.9007 904.0529       255.8830 2104.985       490.8336 168.0222 26.87220 252.3350 34.03395 -84.31276      43.36387 
1 1 1 11  28 23 o 115.5041 30.72804 446.9941       211.7716 334.4908       242.9725 802.5975       431.9738 101.4560 34.33559 146.7637 45.49229 -45.30767      56.99545 
1 1 1 11  28 24 o 100.5739 30.07926 338.7988       191.1185 382.6562       216.9084 186.5659       404.1191 106.1333 32.11273 97.13950 41.10838 8.993813       52.16441 
1 1 1 11  28 25 o 67.99084 28.11695 74.63204       182.5948 195.0098       206.0856 -364.9431      393.8139 82.60401 31.16780 70.35369 33.66185 12.25032       45.87540 
1 1 1 11  28 26 o 92.33063 30.31467 287.6143       189.6620 332.4589       212.8905 115.1003       417.5554 98.17937 32.11071 91.41303 40.21941 6.766342       51.46551 
1 1 1 11  28 27 o 60.56923 27.21703 -40.96385      201.7418 100.6854       226.9587 -574.2484      440.3715 74.33165 31.09188 67.72836 33.14288 6.603287       45.44398 
1 1 1 11  28 28 o 80.62634 30.64785 195.2188       200.1412 188.4107       218.1652 231.3893       502.8625 81.07484 31.68306 99.34107 43.90420 -18.26623      54.14236 
1 1 1 11  28 29 o 192.5975 19.76283 1180.898       220.0657 1074.640       243.0983 1663.276       517.9586 180.8227 23.47709 199.2259 45.35146 -18.40323      51.06788 
1 1 1 11  28 30 o 100.5982 32.56409 375.1771       219.2453 348.6652       248.8169 467.2480       463.6823 97.09888 34.63295 107.4832 44.65887 -10.38437      56.51421 
1 1 1 11  28 31 o 202.7176 19.17778 1316.859       225.2922 1382.527       248.5352 1014.212       533.5538 206.2036 20.83698 138.1993 50.52250 68.00426       54.65073 
1 1 1 11  28 32 o 123.4951 28.09925 548.2216       198.9165 520.8607       218.4116 681.2881       481.6653 117.7058 31.15644 116.8383 46.62963 0.8675079      56.08072 
1 1 1 11  28 33 o 137.0112 24.97636 651.3524       193.3024 648.8715       218.1555 660.4177       417.0143 133.4398 28.72687 116.1054 44.21426 17.33444       52.72698 
1 1 1 11  28 34 o 113.4241 30.44003 491.6383       206.6957 515.9335       233.2705 402.8629       445.9091 113.7475 33.02647 97.58262 42.26928 16.16492       53.64177 
1 1 1 11  28 35 o 55.24089 25.84443 -101.9818      208.7110 -112.3620      238.0074 -67.43191      434.2219 58.32321 27.38616 76.13103 36.12040 -17.80783      45.32863 
1 1 1 11  28 36 o 81.63259 31.51381 243.4924       213.8144 169.0779       238.0345 554.3512       486.5112 75.77753 31.77888 102.6596 44.30940 -26.88203      54.52724 
1 1 1 11  28 37 o 199.9953 21.77112 1359.838       251.2420 1472.536       299.4336 1091.776       461.8055 202.9105 25.74043 137.9640 47.32398 64.94655       53.87141 
1 1 1 11  28 38 o 47.96914 23.63413 -356.3371      236.3449 -98.18291      292.3912 -842.9516      401.4369 63.59868 30.01456 54.10819 27.27217 9.490486       40.55422 
1 1 1 11  29 0  f 281.0417 9.070685 2328.267       149.3111 2483.558       361.4250 2296.310       163.9561 286.8479 21.64371 278.9406 10.03862 7.907349       23.85842 
1 1 1 11  29 1  o 157.0393 12.39790 733.2669       113.2588 594.0305       329.0089 751.9850       120.6317 135.2483 39.20889 158.9252 13.05756 -23.67694      41.32598 
1 1 1 11  29 2  o 193.0332 10.53065 1102.068       118.7654 859.6469       340.1808 1135.717       126.7403 162.8977 36.51290 195.8784 11.07774 -32.98077      38.15637 
1 1 1 11  29 3  o 182.9365 10.69183 990.4037       114.2104 812.0294       338.3412 1013.343       121.3321 158.0297 37.13847 184.9622 11.23820 -26.93245      38.80158 
1 1 1 11  29 4  o 58.24351 21.45527 81.81764       96.51369 -123.1989      317.3491 102.7126       101.3126 75.50092 34.01329 62.39387 22.11537 13.10705       40.57085 
1 1 1 11  29 5  o 144.2980 12.71837 620.3740       106.5318 -11.35664      306.3362 707.2849       113.6238 80.54609 34.96152 154.1525 12.68006 -73.60645      37.18995 
1 1 1 11  29 6  o 401.1262 8.729049 4737.321       205.3518 6000.931       474.9303 4446.761       227.7410 448.1522 18.10710 388.2576 10.00998 59.89459       20.68978 
1 1 1 11  29 7  o 121.9631 15.36832 448.4266       107.4918 546.2811       322.2182 436.1728       114.0237 129.9287 39.10175 119.9760 16.65346 9.952759       42.50040 
1 1 1 11  29 8  o 307.1473 11.00797 2788.465       197.9710 2738.126       323.2520 2818.678       250.4313 302.2518 18.32172 308.0891 13.89572 -5.837250      22.99514 
1 1 1 11  29 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  29 10 o 452.9411 16.46537 6119.822       436.6571 6119.822       436.6571 0.000000       0.000000 452.9411 16.46537 ?        ?        0.000000       16.46537 
1 1 1 11  29 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  29 12 o 348.1168 18.23429 3638.031       370.9773 3638.031       370.9773 0.000000       0.000000 348.1168 18.23429 ?        ?        0.000000       18.23429 
1 1 1 11  29 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  29 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  29 15 o 208.9897 20.19955 1330.543       244.4987 1451.185       280.2143 945.7100       500.4687 217.4812 22.28418 163.0265 48.65524 54.45468       53.51558 
1 1 1 11  29 16 o 388.4700 13.39753 4491.792       304.7769 4382.598       368.0403 4730.088       543.6917 382.2773 16.45449 392.5423 23.72729 -10.26505      28.87447 
1 1 1 11  29 17 o 104.8500 33.21019 352.2793       228.9554 217.4251       257.9202 853.5570       497.2698 91.69907 34.80685 154.2710 48.95285 -62.57195      60.06578 
1 1 1 11  29 18 o 88.22482 31.07244 227.2091       199.7443 342.4580       221.5031 -274.4555      462.1341 103.3030 32.65833 83.70052 38.92485 19.60252       50.81053 
1 1 1 11  29 19 o 55.05972 26.02028 -223.0171      221.1403 -61.38384      246.9698 -876.7528      496.6833 68.00409 30.36857 69.81834 34.37245 -1.814255      45.86628 
1 1 1 11  29 20 o 193.5471 20.80696 1155.578       232.4768 962.4120       263.4584 1835.032       494.1140 173.6996 26.71672 233.1695 37.39683 -59.46988      45.95983 
1 1 1 11  29 21 o 125.5942 30.21411 524.4649       219.8289 649.3657       249.7305 94.58210       463.3019 139.5185 31.29322 98.18013 42.80080 41.33836       53.02050 
1 1 1 11  29 22 o 50.48116 24.31836 -285.5346      213.6033 -411.3040      238.6373 221.3272       479.0664 49.77387 24.36546 104.5555 44.52230 -54.78160      50.75343 
1 1 1 11  29 23 f 88.29540 31.01054 245.2842       198.8504 177.6243       218.7306 567.5567       477.3705 82.11667 31.82710 123.9799 47.28348 -41.86323      56.99730 
1 1 1 11  29 24 f 71.67342 29.92426 81.87855       209.6499 191.6871       235.2640 -341.6384      462.0327 84.06155 32.88634 77.27164 36.83091 6.789909       49.37638 
1 1 1 11  29 25 o 197.9199 18.54378 1222.293       212.7410 1265.769       237.1626 1043.209       481.3380 200.1320 20.49511 156.5149 47.93419 43.61707       52.13190 
1 1 1 11  29 26 o 84.27418 31.33020 222.4016       206.6432 254.3706       228.3680 77.95277       485.4312 88.70779 32.94403 92.44125 41.81644 -3.733467      53.23462 
1 1 1 11  29 27 o 74.67501 30.05285 136.9927       201.8195 127.8400       226.2653 172.6170       446.3894 75.99665 31.35090 93.70097 41.39060 -17.70432      51.92361 
1 1 1 11  29 28 o 124.7356 28.71508 547.4907       205.7121 751.9095       230.9494 -237.4788      452.5669 147.6359 27.69007 76.87655 36.58881 70.75939       45.88552 
1 1 1 11  29 29 o 92.71924 31.41057 310.3240       203.3414 294.4389       222.8067 389.5044       497.4422 90.89980 32.73096 103.2406 44.68266 -12.34076      55.38823 
1 1 1 11  29 30 o 56.87039 26.46750 -108.0222      214.3006 28.49693       235.3330 -770.9903      518.5999 67.68432 29.96816 67.38007 33.51447 0.3042450      44.95899 
1 1 1 11  29 31 o 69.37264 29.11202 101.9392       199.9623 41.94147       221.1523 370.7839       468.1387 66.74129 29.32050 98.94740 43.08107 -32.20611      52.11210 
1 1 1 11  29 32 o 140.0498 26.07323 689.7609       206.2763 707.5528       228.8805 612.7970       476.0373 139.1866 28.98198 110.5580 45.52748 28.62866       53.96949 
1 1 1 11  29 33 o 94.26115 32.26764 347.4548       214.6723 361.3965       242.8934 297.6995       458.8575 95.00938 34.17913 92.46150 41.33516 2.547882       53.63589 
1 1 1 11  29 34 o 150.7087 24.38332 792.3657       208.1606 920.3893       229.7312 205.0664       492.0448 161.9647 24.98804 88.16723 40.70923 73.79749       47.76655 
1 1 1 11  29 35 o 80.93925 31.16332 237.8030       208.6879 298.4539       237.7643 34.32527       435.4984 87.32627 33.35397 79.11427 37.11582 8.212006       49.90062 
1 1 1 11  29 36 o 48.71499 23.74253 -271.1625      219.4745 -375.7413      251.6894 60.71897       448.3680 49.37389 24.33831 79.61053 37.44653 -30.23663      44.66090 
1 1 1 11  29 37 o 59.15002 27.51990 -65.41119      231.3997 127.0545       286.5385 -426.2760      392.3544 74.57153 33.04031 61.65485 30.39123 12.91669       44.89197 
1 1 1 11  30 0  o 117.9589 26.50287 439.5895       178.8630 701.2668       330.8481 331.5253       212.6114 146.1035 38.19115 103.0948 31.90874 43.00861       49.76678 
1 1 1 11  30 1  o 104.4532 17.30416 333.4963       102.2960 456.6046       317.6729 319.2538       108.0515 120.3555 39.21592 101.8095 18.78838 18.54597       43.48438 
1 1 1 11  30 2  o 152.4973 12.68433 692.7518       112.4174 358.0417       316.4421 741.0954       120.2622 110.5587 39.09462 157.6790 13.12370 -47.12029      41.23858 
1 1 1 11  30 3  o 125.5266 14.03061 472.8526       101.5265 894.4067       326.2982 427.6666       106.8292 166.4168 34.56357 118.9481 15.69649 47.46867       37.96077 
1 1 1 11  30 4  o 133.0139 13.53910 529.5581       104.1473 -42.36330      320.4009 597.1263       110.1277 80.10896 35.23901 141.3427 13.44716 -61.23378      37.71756 
1 1 1 11  30 5  o 143.0333 12.77195 610.3341       106.0123 899.7239       336.3981 578.4249       111.7042 166.3880 35.55239 138.9943 13.88899 27.39366       38.16906 
1 1 1 11  30 6  o 142.7789 13.67535 609.7972       113.1145 1635.234       324.8781 468.3394       120.6645 230.9471 24.35215 124.2173 17.00959 106.7298       29.70444 
1 1 1 11  30 7  o 376.6475 11.66599 4198.418       257.3851 5042.198       417.7619 3682.174       326.7700 410.5501 17.38989 351.3159 15.90088 59.23416       23.56367 
1 1 1 11  30 8  o 244.6664 13.12004 1779.177       187.5723 2000.547       323.7694 1667.342       230.1256 256.6032 21.71786 235.8313 16.74742 20.77191       27.42520 
1 1 1 11  30 9  o 356.6459 10.75115 3761.090       224.6189 4149.610       380.2596 3552.873       278.3755 372.1366 17.47195 345.7073 13.75752 26.42932       22.23822 
1 1 1 11  30 10 o 206.3418 23.90985 1311.971       283.9950 1311.971       283.9950 0.000000       0.000000 206.3418 23.90985 ?        ?        0.000000       23.90985 
1 1 1 11  30 11 o 166.2082 31.67210 890.7045       297.4623 890.7045       297.4623 0.000000       0.000000 166.2082 31.67210 ?        ?        0.000000       31.67210 
1 1 1 11  30 12 o 368.8258 17.71962 4089.597       382.1677 4089.597       382.1677 0.000000       0.000000 368.8258 17.71962 ?        ?        0.000000       17.71962 
1 1 1 11  30 13 o 204.2210 27.48687 1311.778       320.8611 1311.778       320.8611 0.000000       0.000000 204.2210 27.48687 ?        ?        0.000000       27.48687 
1 1 1 11  30 14 o 117.5754 33.10295 454.0906       237.8893 189.7274       280.7308 1127.433       448.0306 91.19804 35.85054 180.3757 42.96830 -89.17768      55.96013 
1 1 1 11  30 15 o 262.7353 19.82334 2099.499       303.2008 2099.499       303.2008 0.000000       0.000000 262.7353 19.82334 ?        ?        0.000000       19.82334 
1 1 1 11  30 16 o 168.7169 24.29394 891.0835       233.4650 1077.151       272.3476 375.4152       453.3911 185.0747 25.79109 116.3540 45.61400 68.72072       52.40055 
1 1 1 11  30 17 o 222.8376 18.27270 1508.432       236.7085 1683.427       277.3381 1038.962       454.2562 234.5271 20.36519 170.4144 44.84980 64.11266       49.25694 
1 1 1 11  30 18 f 179.1487 20.49980 989.8826       211.5103 818.2492       233.0106 1793.276       504.1257 160.4752 25.61908 229.4221 38.85259 -68.94691      46.53881 
1 1 1 11  30 19 o 67.35645 29.35337 -3.448802      217.7498 -8.706841      245.7857 15.73534       469.4788 70.81155 31.01520 94.98013 42.17608 -24.16857      52.35231 
1 1 1 11  30 20 o 61.19253 27.58249 -69.33781      209.0209 -23.90698      236.1614 -233.6140      449.0770 68.15092 30.10498 81.98895 38.21020 -13.83803      48.64494 
1 1 1 11  30 21 o 133.7801 27.89595 593.5209       211.7697 545.7565       236.1510 789.6649       478.5472 126.1505 31.90352 141.5540 48.18357 -15.40343      57.78833 
1 1 1 11  30 22 o 86.10442 31.34502 226.9364       205.0588 295.4830       229.0364 -49.98160      460.3489 94.89845 33.28490 88.15836 40.20846 6.740089       52.19775 
1 1 1 11  30 23 o 118.8000 30.13757 489.5638       210.2716 386.4924       241.7564 809.7729       426.1140 104.6378 34.21820 140.9054 45.37960 -36.26762      56.83479 
1 1 1 11  30 24 o 65.86883 28.33908 36.91743       197.7806 96.35565       222.3351 -188.4718      432.9541 73.59554 30.77802 78.74565 36.96331 -5.150108      48.09962 
1 1 1 11  30 25 o 138.2774 27.28171 651.3513       213.3835 736.8635       239.3627 320.3203       470.9525 146.0440 28.96936 102.8218 43.97394 43.22227       52.65863 
1 1 1 11  30 26 o 172.6059 21.29368 959.9328       210.9894 916.5521       232.6356 1161.036       500.8843 166.2213 24.60604 159.8629 48.88599 6.358383       54.72931 
1 1 1 11  30 27 o 68.65297 29.12586 74.79156       203.7158 190.0275       223.3491 -495.5695      496.8957 80.68008 31.89651 72.86881 35.56068 7.811272       47.76976 
1 1 1 11  30 28 o 177.9281 19.91085 1020.181       204.2124 1035.850       224.7893 946.1552       488.5826 177.5497 22.06214 138.0503 48.59877 39.49940       53.37207 
1 1 1 11  30 29 o 98.50997 30.47030 359.5486       193.9102 314.7016       213.9140 566.2528       459.2477 92.32564 32.18233 111.0089 45.09627 -18.68324      55.40195 
1 1 1 11  30 30 o 76.60624 29.88591 183.0189       193.8490 179.0927       206.9713 211.0688       553.2151 76.94318 30.61295 93.83983 43.27015 -16.89665      53.00432 
1 1 1 11  30 31 o 50.10992 23.83715 -164.0918      191.5864 -96.38288      205.7053 -607.1546      526.2053 55.67329 25.91741 69.58351 34.46291 -13.91022      43.12081 
1 1 1 11  30 32 o 95.55944 31.83697 357.1269       208.9579 474.3146       241.6791 10.11535       415.8818 107.7031 34.12133 78.55093 36.66200 29.15218       50.08360 
1 1 1 11  30 33 o 72.98518 30.11797 152.4766       208.9058 180.5355       233.9061 41.86341       464.4183 76.80599 31.79848 81.17992 38.16162 -4.373932      49.67346 
1 1 1 11  30 34 o 71.16982 29.82385 135.0059       209.4037 42.08416       242.1825 410.2715       416.8311 66.96493 29.97655 95.46419 41.10721 -28.49926      50.87629 
1 1 1 11  30 35 o 66.61220 29.30125 71.21939       221.5109 -44.02422      255.7330 417.4450       443.2595 62.84348 29.13265 94.39737 41.48889 -31.55389      50.69556 
1 1 1 11  30 36 f 53.91750 25.80094 -175.9219      231.5165 -9.066084      293.8967 -448.7934      375.8400 67.69129 31.32793 59.75222 29.50808 7.939072       43.03680 
1 1 1 11  31 0  o 190.6808 11.17386 1078.239       124.4094 1244.165       361.3156 1055.921       132.5124 197.4759 32.31428 188.5187 12.04844 8.957214       34.48735 
1 1 1 11  31 1  o 93.19061 29.36941 268.1429       179.2652 -127.9621      324.1773 442.6237       215.1550 75.58330 34.18325 117.2221 30.87390 -41.63878      46.06183 
1 1 1 11  31 2  f 63.78113 22.61536 108.6724       105.9538 -319.2570      333.9965 156.5559       111.7245 68.16438 32.14174 72.43644 23.22779 -4.272057      39.65629 
1 1 1 11  31 3  o 207.9698 10.21326 1279.882       124.1895 1278.445       343.8522 1280.098       133.1791 201.1816 30.06368 207.8443 10.96444 -6.662735      32.00069 
1 1 1 11  31 4  o 60.25268 21.89303 92.11098       99.97026 -456.0288      329.5741 147.6561       104.9132 62.52136 30.14071 70.35181 22.50344 -7.830452      37.61472 
1 1 1 11  31 5  o 163.7194 12.37954 798.4855       117.9846 1061.867       337.5254 761.8231       125.9288 181.5385 32.91371 159.6393 13.57914 21.89915       35.60485 
1 1 1 11  31 6  o 350.0945 17.54795 3679.342       359.1497 3679.342       359.1497 0.000000       0.000000 350.0945 17.54795 ?        ?        0.000000       17.54795 
1 1 1 11  31 7  o 282.7177 16.77925 2398.607       276.9609 0.000000       0.000000 2398.607       276.9609 ?        ?        282.7177 16.77925 0.000000       16.77925 
1 1 1 11  31 8  o 86.19681 23.07271 234.1711       118.9417 819.5648       288.4222 114.2174       130.5604 158.9652 32.04478 67.52796 24.94042 91.43722       40.60656 
1 1 1 11  31 9  o 269.9680 10.00126 2156.041       158.0760 2429.787       333.5407 2076.743       179.5174 282.9059 20.23644 264.5503 11.59858 18.35559       23.32468 
1 1 1 11  31 10 o 148.4325 17.86807 670.6234       152.4209 749.9799       302.9144 643.7191       176.3761 150.3827 35.00380 144.2224 21.50912 6.160309       41.08416 
1 1 1 11  31 11 o 188.7569 28.87962 1133.407       309.5519 1133.407       309.5519 0.000000       0.000000 188.7569 28.87962 ?        ?        0.000000       28.87962 
1 1 1 11  31 12 o 99.42149 38.27724 256.1817       314.8286 256.1817       314.8286 0.000000       0.000000 99.42149 38.27724 ?        ?        0.000000       38.27724 
1 1 1 11  31 13 o 204.4695 28.65205 1329.236       334.1685 1329.236       334.1685 0.000000       0.000000 204.4695 28.65205 ?        ?        0.000000       28.65205 
1 1 1 11  31 14 o 118.0491 33.76092 462.2747       245.4980 765.2871       309.2232 -54.34446      403.7635 150.9369 35.52658 87.04966 38.85479 63.88721       52.64820 
1 1 1 11  31 15 o 214.8150 19.41542 1409.535       241.9651 1549.130       300.5034 1152.163       408.0329 223.3894 23.27808 183.3155 39.14363 40.07390       45.54221 
1 1 1 11  31 16 o 225.9476 18.35138 1554.854       241.0878 1385.429       281.0025 2027.406       469.2956 210.9317 23.09221 248.7168 32.98539 -37.78511      40.26520 
1 1 1 11  31 17 o 63.00064 28.33906 -69.71368      219.3567 82.89929       252.5717 -538.1841      442.5172 78.33624 32.78545 71.95460 34.74708 6.381645       47.77285 
1 1 1 11  31 18 o 45.31579 22.27658 -390.8320      206.1139 -499.7346      229.3783 65.81625       469.7036 45.65665 22.63734 96.55336 42.56223 -50.89671      48.20781 
1 1 1 11  31 19 o 197.3116 19.30792 1204.670       220.5720 1439.242       255.6361 521.2032       436.3576 215.1127 20.51110 121.2505 45.43737 93.86215       49.85238 
1 1 1 11  31 20 o 57.89793 26.52635 -98.10316      203.3449 9.116471       226.8321 -536.8990      458.8794 68.39485 29.87971 71.92845 34.88937 -3.533600      45.93544 
1 1 1 11  31 21 o 93.39532 31.52211 292.3072       204.7817 122.5812       231.3867 905.6644       439.8666 77.33320 31.78234 149.2421 45.84435 -71.90894      55.78370 
1 1 1 11  31 22 o 103.1783 30.51050 371.7195       197.5203 347.5457       224.6923 453.9277       414.3557 99.67458 33.00790 111.3934 43.62488 -11.71880      54.70513 
1 1 1 11  31 23 o 135.3014 27.63910 624.5997       211.8995 597.6520       242.0561 712.9863       438.3777 129.1887 32.09175 129.5246 45.99383 -0.3359222     56.08309 
1 1 1 11  31 24 o 146.2077 25.82442 718.6096       213.3424 590.2607       241.8884 1168.151       452.6932 127.6382 32.29368 166.4706 45.20961 -38.83237      55.55890 
1 1 1 11  31 25 o 149.3520 25.15544 748.5621       212.5182 794.6082       239.1425 575.6226       463.4552 151.8692 27.87650 116.2465 45.95014 35.62263       53.74491 
1 1 1 11  31 26 o 104.5739 31.71683 403.4364       211.4167 432.9042       235.4789 280.9511       480.0874 107.1045 33.64792 98.06506 43.13678 9.039406       54.70799 
1 1 1 11  31 27 f 63.51720 27.79674 28.60651       197.0520 -72.26147      217.7824 484.0483       462.7672 59.42879 27.31052 106.7485 44.50519 -47.31968      52.21663 
1 1 1 11  31 28 o 115.0485 29.66760 486.6516       201.4703 415.5335       220.9828 836.8472       490.3700 104.1691 32.57708 127.3756 48.07403 -23.20651      58.07218 
1 1 1 11  31 29 o 109.1538 30.31789 447.7993       200.9935 559.5625       219.6048 -128.9900      498.8857 122.0842 30.70501 80.04257 38.18499 42.04165       48.99889 
1 1 1 11  31 30 o 69.45606 28.83896 117.2721       193.1715 159.4703       207.1826 -163.4403      534.3639 74.37759 30.26200 79.94337 38.49915 -5.565773      48.96910 
1 1 1 11  31 31 o 67.63406 28.90038 90.90810       203.1053 -42.04697      219.8927 863.2758       529.9934 60.16948 27.57361 120.4790 48.62532 -60.30949      55.89925 
1 1 1 11  31 32 o 123.1676 28.82297 569.7297       204.4911 848.3514       239.1894 -187.0760      394.2092 152.3639 27.79128 69.43626 33.34316 82.92762       43.40647 
1 1 1 11  31 33 o 70.84936 30.03697 126.5820       216.4085 34.35344       248.6877 414.2878       439.2338 66.95966 30.14244 95.40810 41.63186 -28.44844      51.39824 
1 1 1 11  31 34 o 59.70443 27.49248 -37.93605      222.2487 136.8218       261.8072 -488.7324      420.4877 73.90359 32.19669 62.43565 30.90206 11.46794       44.62694 
1 1 1 11  31 35 o 69.64692 30.58043 97.10693       240.2707 157.7184       301.1460 -9.058737      398.5580 77.02235 34.01096 74.33163 35.06849 2.690727       48.85227 
1 1 1 11  32 0  o 312.0881 9.412886 2877.538       172.0893 3497.378       397.6275 2734.679       190.8933 339.7611 20.04408 303.8960 10.72746 35.86517       22.73419 
1 1 1 11  32 1  o 208.6018 11.56697 1292.589       140.9563 0.000000       0.000000 1292.589       140.9563 ?        ?        208.6018 11.56697 0.000000       11.56697 
1 1 1 11  32 2  o 79.94395 22.15170 200.3062       107.4408 -513.1985      343.6709 277.5948       113.1103 62.26574 30.20034 93.99920 21.04298 -31.73346      36.80853 
1 1 1 11  32 3  o 141.0237 14.06930 597.4655       114.8118 299.0329       331.4841 638.1466       122.3873 104.5954 39.51476 145.6803 14.51775 -41.08485      42.09728 
1 1 1 11  32 4  o 153.9615 12.93199 708.6882       115.6909 673.6876       337.6925 713.3425       123.1430 141.0261 39.34536 154.2774 13.75403 -13.25130      41.68010 
1 1 1 11  32 5  o 79.28384 22.72881 196.5729       111.1398 75.24723       317.0718 213.5674       118.6687 86.10828 36.42517 82.46858 23.43564 3.639702       43.31308 
1 1 1 11  32 6  o 76.49753 23.25970 180.6876       113.6046 987.6890       313.3044 58.52094       121.9006 174.6279 31.76126 58.70503 23.44833 115.9229       39.47913 
1 1 1 11  32 7  o 78.20454 24.81606 186.8734       127.7910 193.5032       301.8758 185.4259       141.0530 93.29284 37.01873 78.77869 26.15481 14.51415       45.32616 
1 1 1 11  32 8  o 230.2715 14.60041 1587.763       196.1615 1951.322       332.9921 1394.550       242.7533 251.8107 22.79471 213.9724 19.56060 37.83830       30.03691 
1 1 1 11  32 9  o 308.8783 12.51072 2838.279       226.1624 2995.546       352.2076 2727.935       295.0211 314.3340 19.19698 301.0913 16.77352 13.24265       25.49265 
1 1 1 11  32 10 o 113.7799 23.92456 411.1900       154.5738 86.04102       301.3321 527.3019       180.0705 84.78703 35.66849 128.9366 24.71223 -44.14961      43.39281 
1 1 1 11  32 11 o 222.4543 25.58179 1549.523       327.6824 1549.523       327.6824 0.000000       0.000000 222.4543 25.58179 ?        ?        0.000000       25.58179 
1 1 1 11  32 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  32 13 o 236.6018 26.07315 1763.749       355.8033 1763.749       355.8033 0.000000       0.000000 236.6018 26.07315 ?        ?        0.000000       26.07315 
1 1 1 11  32 14 o 215.9129 21.19541 1440.061       264.9377 910.6398       323.4978 2518.482       461.7056 164.2725 34.66906 280.8524 28.42164 -116.5798      44.83005 
1 1 1 11  32 15 f 284.4481 16.12184 2445.248       267.8468 2781.180       335.5820 1855.613       444.5955 301.6619 19.06581 236.8422 32.89448 64.81973       38.02041 
1 1 1 11  32 16 o 99.38409 34.39474 318.1768       244.1247 318.1768       244.1247 0.000000       0.000000 99.38409 34.39474 ?        ?        0.000000       34.39474 
1 1 1 11  32 17 o 56.96734 26.41199 -137.3206      210.2991 -73.64157      242.1069 -333.0292      424.4378 65.38783 29.55964 75.29887 35.72137 -9.911049      46.36582 
1 1 1 11  32 18 o 57.44809 26.12646 -78.15337      192.6029 -70.67081      219.5577 -103.1380      401.1992 62.04053 28.08786 81.15562 37.21103 -19.11510      46.62176 
1 1 1 11  32 19 f 132.4164 27.69718 589.9760       208.1685 599.7059       237.7389 557.9990       430.9874 131.3150 31.31222 120.7063 45.17264 10.60872       54.96383 
1 1 1 11  32 20 o 105.1964 30.86707 387.4354       202.8210 343.1747       230.1065 541.5690       429.4063 99.25414 33.41427 118.0645 44.88867 -18.81033      55.95987 
1 1 1 11  32 21 o 71.84284 29.26529 110.9467       194.0334 -55.60911      219.7868 699.3383       413.0996 62.09202 28.10770 129.7027 44.74862 -67.61069      52.84394 
1 1 1 11  32 22 o 53.84451 25.20306 -140.2087      198.8729 -250.6609      225.7387 242.7351       420.3260 52.67850 25.27926 96.31252 41.37329 -43.63402      48.48495 
1 1 1 11  32 23 o 79.57502 30.35067 190.4961       196.6956 203.9084       225.4312 147.7175       402.6029 82.68239 32.23657 89.60588 39.45599 -6.923492      50.95068 
1 1 1 11  32 24 o 152.1425 24.03435 771.4585       207.3401 877.2437       243.3834 491.5237       395.9196 160.1311 26.86644 109.8648 42.75352 50.26634       50.49425 
1 1 1 11  32 25 o 93.41042 32.12159 317.7896       212.7987 229.0737       248.9195 558.6713       410.1667 84.95912 33.64613 113.0500 43.64636 -28.09090      55.10959 
1 1 1 11  32 26 o 70.84121 29.29678 116.5603       198.2503 84.73643       224.9567 227.2256       419.4967 70.61086 30.29893 91.26167 40.22665 -20.65080      50.36078 
1 1 1 11  32 27 o 62.61122 27.57547 22.45278       196.7510 94.99693       218.3934 -290.1062      453.3194 70.48479 30.03897 72.94046 35.20970 -2.455666      46.28242 
1 1 1 11  32 28 o 112.8827 30.07389 478.0358       202.6683 497.1793       221.8166 381.2970       498.6365 113.5082 31.96768 98.69765 43.66489 14.81052       54.11612 
1 1 1 11  32 29 f 66.64865 28.57181 79.83282       199.6912 151.6770       217.0234 -316.8272      509.9411 74.12168 30.65289 74.40762 36.24804 -0.2859421     47.47126 
1 1 1 11  32 30 o 108.6665 30.74942 459.1668       204.7332 422.7916       229.9507 598.2602       449.6610 101.9135 33.37495 107.4533 44.24852 -5.539810      55.42399 
1 1 1 11  32 31 f 82.10021 31.20825 247.9733       207.5281 331.1294       236.3203 -32.27266      433.8338 90.79220 33.55046 76.85318 36.35704 13.93902       49.47189 
1 1 1 11  32 32 o 76.05111 30.66775 191.2942       210.6187 185.0287       245.5914 208.7146       409.5084 77.04276 32.29244 84.61073 38.32760 -7.567970      50.11793 
1 1 1 11  32 33 o 67.19018 28.99309 95.32645       208.1992 -44.05737      257.9213 356.0157       352.7301 62.93264 29.20264 90.67693 38.39114 -27.74429      48.23561 
1 1 1 11  32 34 o 76.59884 31.88986 193.3446       237.1087 471.3986       306.5824 -220.5134      374.0316 99.96478 37.94760 65.62740 31.75327 34.33739       49.48020 
1 1 1 11  33 0  o 324.7525 11.20081 3128.442       213.0109 0.000000       0.000000 3128.442       213.0109 ?        ?        324.7525 11.20081 0.000000       11.20081 
1 1 1 11  33 1  o 292.0461 9.788406 2523.736       167.4171 2640.237       371.9653 2494.139       187.4805 293.6310 21.75433 289.9713 11.04448 3.659729       24.39736 
1 1 1 11  33 2  o 278.9166 9.917734 2302.763       161.9741 1718.085       357.0640 2454.249       181.7501 234.0921 26.47206 287.7110 10.79041 -53.61890      28.58676 
1 1 1 11  33 3  o 218.1660 11.98021 1416.568       152.6974 0.000000       0.000000 1416.568       152.6974 ?        ?        218.1660 11.98021 0.000000       11.98021 
1 1 1 11  33 4  o 48.80351 20.78786 5.473262       104.4921 101.4000       328.8897 -5.296774      110.2019 88.64866 37.27667 48.85211 21.08688 39.79655       42.82764 
1 1 1 11  33 5  f 149.0354 13.97187 667.6288       120.6982 1087.183       326.9291 601.4195       129.8731 182.9401 31.61461 140.8397 16.00694 42.10043       35.43594 
1 1 1 11  33 6  o 151.0149 13.74368 684.9404       120.3910 778.1420       321.4169 669.7305       129.8434 151.7148 36.55753 148.9608 15.06975 2.754089       39.54176 
1 1 1 11  33 7  o 83.41623 23.40306 220.1829       119.1205 0.4407009      312.2065 257.6223       128.8693 80.18649 35.04237 89.89874 23.99512 -9.712250      42.47039 
1 1 1 11  33 8  o 79.12588 26.61547 187.3328       145.9947 225.6309       306.8046 176.1221       165.9929 95.67226 37.51770 79.10119 28.27923 16.57108       46.98183 
1 1 1 11  33 9  o 178.3754 16.97718 965.8334       175.4643 1437.446       328.7703 778.0008       207.4843 213.0246 26.91526 157.6038 23.13585 55.42079       35.49223 
1 1 1 11  33 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  33 11 o 243.2978 22.93330 1841.061       323.3714 1841.061       323.3714 0.000000       0.000000 243.2978 22.93330 ?        ?        0.000000       22.93330 
1 1 1 11  33 12 o 74.46632 33.28833 -52.92039      297.5443 -52.92039      297.5443 0.000000       0.000000 74.46632 33.28833 ?        ?        0.000000       33.28833 
1 1 1 11  33 13 f 73.62641 33.57936 -116.2924      321.0323 -116.2924      321.0323 0.000000       0.000000 73.62641 33.57936 ?        ?        0.000000       33.57936 
1 1 1 11  33 14 o 64.20731 30.16485 -225.4690      289.4118 -225.4690      289.4118 0.000000       0.000000 64.20731 30.16485 ?        ?        0.000000       30.16485 
1 1 1 11  33 15 o 161.0549 24.32597 833.5847       222.6153 796.6719       263.0967 926.6208       417.6893 153.8893 30.23015 155.7556 43.86775 -1.866318      53.27515 
1 1 1 11  33 16 o 40.77829 20.54403 -660.2829      226.3579 -660.2829      226.3579 0.000000       0.000000 40.77829 20.54403 ?        ?        0.000000       20.54403 
1 1 1 11  33 17 o 122.0348 28.89909 509.1463       203.6189 473.8873       236.6324 609.7266       399.6649 115.5228 33.17982 124.8850 43.95538 -9.362274      55.07247 
1 1 1 11  33 18 o 48.05067 22.82897 -178.8497      174.6270 -294.8614      195.9366 269.1588       385.0418 46.47076 22.60014 97.95260 40.69719 -51.48184      46.55135 
1 1 1 11  33 19 o 111.0800 30.28408 434.7775       202.6667 472.0581       230.1375 305.9871       427.7480 114.4290 32.67545 101.2075 42.53175 13.22144       53.63427 
1 1 1 11  33 20 o 65.78333 28.39370 37.71391       199.7854 23.25307       227.9792 85.57286       414.7439 68.09476 29.84669 87.86669 39.28832 -19.77193      49.33961 
1 1 1 11  33 21 o 190.1988 18.74896 1141.298       206.4226 1107.611       235.3955 1253.432       429.4746 184.8480 22.15449 176.4256 42.09632 8.422440       47.57018 
1 1 1 11  33 22 o 52.95837 24.99538 -162.6988      202.8660 15.18289       235.0816 -681.5714      401.4980 67.76896 29.98149 60.43214 29.96090 7.336815       42.38567 
1 1 1 11  33 23 o 46.60418 22.75056 -306.9376      203.8475 -413.9734      230.7123 74.04483       435.2701 47.00461 23.19529 86.30795 39.26108 -39.30334      45.60103 
1 1 1 11  33 24 o 63.90173 28.38161 9.015153       212.7090 28.63133       246.1828 -48.76398      422.5090 68.86013 30.56137 79.47407 37.04635 -10.61394      48.02530 
1 1 1 11  33 25 o 119.0307 29.65545 520.3164       206.2543 766.0423       239.1716 -192.6314      407.3924 145.9958 28.95595 72.72536 34.64170 73.27040       45.14970 
1 1 1 11  33 26 o 79.27702 29.57685 212.1051       184.4767 257.6319       207.8475 43.12680       400.4301 85.03838 31.45721 80.53321 37.01762 4.505173       48.57840 
1 1 1 11  33 27 o 55.04529 25.36323 -68.52824      189.5829 -32.73117      211.3436 -215.9996      428.9624 60.10674 27.34823 72.35619 34.75482 -12.24946      44.22469 
1 1 1 11  33 28 o 102.0482 30.16085 399.7498       193.0596 439.0299       211.7980 206.7652       469.4576 105.6979 31.67719 88.49807 40.45515 17.19982       51.38155 
1 1 1 11  33 29 o 60.37028 27.24719 -5.794133      204.7355 15.77948       227.8538 -96.21680      466.4804 64.24384 28.89181 76.80115 36.71675 -12.55730      46.72105 
1 1 1 11  33 30 o 63.16315 27.86608 42.31152       201.7271 -31.91062      228.4266 305.2991       429.9794 61.19159 28.06492 90.17666 40.18349 -28.98507      49.01380 
1 1 1 11  33 31 o 134.3261 27.71935 670.3175       211.1248 800.1840       251.5418 360.7585       388.3590 143.5527 30.80042 91.64141 39.57118 51.91129       50.14523 
1 1 1 11  33 32 o 72.34021 30.34046 152.3805       217.0076 161.8640       244.7620 117.5338       469.1805 74.57717 31.79245 81.83990 38.43563 -7.262726      49.88044 
1 1 1 11  33 33 o 62.77056 28.44485 12.47011       225.8045 -91.73011      293.8217 162.7924       352.9078 63.71792 30.07602 79.19117 35.75447 -15.47325      46.72204 
1 1 1 11  34 0  o 175.0493 13.09392 917.6321       133.4512 331.3206       307.1693 1054.047       148.1649 104.7829 38.32963 187.5373 13.56285 -82.75443      40.65847 
1 1 1 11  34 1  o 158.4100 13.54649 753.5167       124.6451 561.3553       323.1238 787.1097       135.1016 127.8994 39.29329 161.6856 14.39794 -33.78619      41.84810 
1 1 1 11  34 2  o 155.9151 13.96436 731.2734       126.3401 500.6935       329.5312 771.0070       136.7932 121.6604 39.95943 159.8974 14.75349 -38.23700      42.59602 
1 1 1 11  34 3  o 161.6346 13.53821 784.4859       127.1573 288.1666       329.8470 871.1207       137.8091 102.0997 39.21282 170.2710 13.92168 -68.17127      41.61079 
1 1 1 11  34 4  o 129.6051 16.20227 512.1061       120.4710 694.0410       326.5561 483.4444       129.6135 141.5677 38.37748 125.2631 18.17319 16.30464       42.46288 
1 1 1 11  34 5  o 131.5336 17.75425 531.3835       133.4648 0.000000       0.000000 531.3835       133.4648 ?        ?        131.5336 17.75425 0.000000       17.75425 
1 1 1 11  34 6  o 215.1096 18.35353 1411.522       229.3325 1493.548       361.3112 1356.180       296.7784 215.1325 29.40565 207.5407 24.87767 7.591736       38.51741 
1 1 1 11  34 7  o 184.1693 19.61098 1043.932       208.5661 948.8090       341.5243 1100.508       263.3849 166.7314 35.98306 186.6927 24.65771 -19.96133      43.62090 
1 1 1 11  34 8  o 58.07046 23.52254 53.40172       124.5332 -84.68635      329.4951 76.41457       134.5104 76.47516 34.53630 62.45007 24.73293 14.02509       42.47909 
1 1 1 11  34 9  o 67.06145 24.95105 115.7674       131.1105 -379.5627      317.3579 217.7082       143.9713 62.17921 29.87358 83.04842 26.33875 -20.86921      39.82663 
1 1 1 11  34 10 o 69.82597 26.63333 119.8544       151.4676 -3.397848      300.9357 161.6721       175.2897 77.34369 34.08230 77.33028 28.83485 0.1341248E-01  44.64360 
1 1 1 11  34 11 o 119.1048 38.54704 500.9353       307.2185 500.9353       307.2185 0.000000       0.000000 119.1048 38.54704 ?        ?        0.000000       38.54704 
1 1 1 11  34 12 o 78.77128 33.83498 63.95006       281.0633 63.95006       281.0633 0.000000       0.000000 78.77128 33.83498 ?        ?        0.000000       33.83498 
1 1 1 11  34 13 o 129.1522 34.76730 592.4532       269.1368 592.4532       269.1368 0.000000       0.000000 129.1522 34.76730 ?        ?        0.000000       34.76730 
1 1 1 11  34 14 o 99.09967 34.60549 332.9995       247.4022 332.9995       247.4022 0.000000       0.000000 99.09967 34.60549 ?        ?        0.000000       34.60549 
1 1 1 11  34 15 o 79.31652 31.01288 167.8141       209.1272 231.8883       242.8139 -16.24747      411.5415 87.93353 33.67644 84.55682 38.35070 3.376709       51.03801 
1 1 1 11  34 16 o 67.15374 28.68883 48.83396       200.0634 233.2037       234.3328 -446.8816      384.2418 87.16972 33.15610 65.77122 31.90823 21.39851       46.01589 
1 1 1 11  34 17 o 156.1995 26.43713 818.1136       233.5527 818.1136       233.5527 0.000000       0.000000 156.1995 26.43713 ?        ?        0.000000       26.43713 
1 1 1 11  34 18 o 88.03480 30.15622 263.0009       187.5049 247.9466       209.9181 322.4201       417.0459 86.85557 31.69965 100.7240 42.14025 -13.86843      52.73204 
1 1 1 11  34 19 o 51.57863 24.62727 -212.6892      208.4556 -164.6418      235.3828 -387.3846      448.8287 57.77836 27.16313 72.47618 34.99773 -14.69782      44.30211 
1 1 1 11  34 20 o 55.47782 25.85972 -123.5983      205.8405 -128.3029      236.8260 -109.0655      416.2386 59.56724 27.75654 78.46924 36.64163 -18.90200      45.96776 
1 1 1 11  34 21 o 49.13573 23.65607 -235.2346      201.4155 -240.3509      234.6766 -220.9251      392.4688 53.82821 25.81621 71.84281 34.15886 -18.01460      42.81710 
1 1 1 11  34 22 o 62.98499 27.70776 19.66176       198.1068 66.28775       223.5180 -151.1334      427.7955 69.29391 29.97118 76.28550 36.09285 -6.991585      46.91445 
1 1 1 11  34 23 o 141.5326 26.01756 695.4919       208.0044 725.5917       236.6412 593.2167       436.2079 141.5827 29.45923 112.8086 44.58278 28.77414       53.43660 
1 1 1 11  34 24 o 144.4043 27.02317 735.6843       220.4484 624.7147       255.8215 1055.789       434.4914 126.3658 33.84330 148.9461 45.52768 -22.58034      56.72864 
1 1 1 11  34 25 o 63.03090 28.04499 14.39293       208.6360 20.55053       237.5810 -6.359542      436.1549 66.53449 29.74387 80.16479 37.45788 -13.63029      47.83085 
1 1 1 11  34 26 f 147.4949 26.33332 771.4301       219.4307 776.5422       250.5194 754.5824       454.7910 143.5784 30.68207 119.0124 45.95639 24.56602       55.25740 
1 1 1 11  34 27 o 82.18716 31.25284 243.9255       208.1689 26.20374       235.9113 1009.749       442.4479 65.92474 29.54275 138.4044 46.33128 -72.47963      54.94872 
1 1 1 11  34 28 o 91.51778 32.02174 332.6945       211.9008 451.4989       239.6803 -92.54990      453.4560 103.9177 34.07615 75.88670 36.25801 28.03099       49.75769 
1 1 1 11  34 29 o 44.07013 21.89686 -416.6355      219.0332 -567.1601      247.4532 128.0738       470.7297 43.96707 22.05971 83.55263 38.99917 -39.58556      44.80587 
1 1 1 11  34 30 o 53.55948 25.47858 -150.1630      218.9008 -31.08966      251.8453 -518.0710      442.6866 63.08405 29.12650 63.40419 31.43887 -0.3201370     42.85738 
1 1 1 11  34 31 o 76.44870 30.68996 203.2932       209.9083 227.1219       240.0222 125.8027       432.8376 79.48000 32.48373 80.66335 37.56580 -1.183357      49.66267 
1 1 1 11  34 32 o 76.19493 32.02620 189.6572       242.6028 231.0090       279.4003 62.95174       489.0769 80.50840 34.13074 80.03108 38.07483 0.4773178      51.13316 
1 1 1 11  35 0  o 139.5822 15.49789 592.9396       124.7324 -215.4707      326.7221 730.8658       134.9541 69.77835 32.54361 155.2964 15.00411 -85.51805      35.83587 
1 1 1 11  35 1  o 87.39852 32.17930 219.5179       217.0625 -36.05437      330.8303 412.7005       287.6288 79.00075 35.22254 110.8618 37.35814 -31.86107      51.34450 
1 1 1 11  35 2  o 67.91387 32.08651 -286.8976      335.8605 -286.8976      335.8605 0.000000       0.000000 67.91387 32.08651 ?        ?        0.000000       32.08651 
1 1 1 11  35 3  o 104.9272 19.71878 346.5234       116.8903 3.684364       321.4583 398.7618       125.4800 80.13909 35.27306 112.7518 19.69202 -32.61269      40.39758 
1 1 1 11  35 4  o 226.2248 10.97094 1524.724       145.1234 1472.450       338.1090 1536.529       160.6771 213.6880 27.62478 226.7065 12.12895 -13.01852      30.17018 
1 1 1 11  35 5  o 51.88478 21.82663 20.48467       112.8328 -172.4247      325.0337 46.91702       120.3149 71.19726 32.94883 56.39370 23.01742 14.80356       40.19237 
1 1 1 11  35 6  o 43.52636 20.00403 -75.05137      116.8715 0.000000       0.000000 -75.05137      116.8715 ?        ?        43.52636 20.00403 0.000000       20.00403 
1 1 1 11  35 7  o 62.17164 24.18328 86.07995       126.6322 0.000000       0.000000 86.07995       126.6322 ?        ?        62.17164 24.18328 0.000000       24.18328 
1 1 1 11  35 8  o 170.2391 13.28018 874.5062       131.5425 916.3951       313.1966 865.5344       144.9465 162.7545 33.91381 168.7916 14.79155 -6.037064      36.99914 
1 1 1 11  35 9  o 151.0989 18.38363 709.5402       159.5596 875.0963       304.2029 646.7059       187.4085 158.5621 33.74920 141.7897 23.34892 16.77245       41.03876 
1 1 1 11  35 10 o 121.4410 21.66079 472.8911       148.6138 994.4516       287.9409 283.5046       173.5104 171.9562 29.62076 92.19076 28.87185 79.76543       41.36391 
1 1 1 11  35 11 o 186.8450 29.00770 1171.605       307.5639 1171.605       307.5639 0.000000       0.000000 186.8450 29.00770 ?        ?        0.000000       29.00770 
1 1 1 11  35 12 o 140.1587 33.86049 703.5066       275.1892 703.5066       275.1892 0.000000       0.000000 140.1587 33.86049 ?        ?        0.000000       33.86049 
1 1 1 11  35 13 o 66.32923 29.90631 -44.87358      245.9244 -44.87358      245.9244 0.000000       0.000000 66.32923 29.90631 ?        ?        0.000000       29.90631 
1 1 1 11  35 14 o 183.2689 22.94812 1087.720       241.2609 1087.720       241.2609 0.000000       0.000000 183.2689 22.94812 ?        ?        0.000000       22.94812 
1 1 1 11  35 15 f 138.0826 28.21850 656.0346       220.7941 656.0346       220.7941 0.000000       0.000000 138.0826 28.21850 ?        ?        0.000000       28.21850 
1 1 1 11  35 16 o 49.09743 23.54282 -221.1519      194.9579 -150.5169      222.7794 -452.1551      402.8787 56.77794 26.60792 66.66888 32.41946 -9.890934      41.94047 
1 1 1 11  35 17 o 114.1436 29.13168 461.0763       195.6413 434.0165       225.9547 542.1191       391.0361 108.6299 32.75554 114.8416 43.01773 -6.211678      54.06895 
1 1 1 11  35 18 o 50.68294 24.00782 -167.9409      190.3405 -247.5294      214.9922 120.6316       409.3786 50.84696 24.46985 87.76765 39.15306 -36.92069      46.17073 
1 1 1 11  35 19 o 190.3814 19.76938 1162.067       217.5235 1253.959       257.0858 930.5007       408.1083 195.0833 22.90611 145.3096 44.06530 49.77368       49.66327 
1 1 1 11  35 20 f 54.95997 25.49512 -98.30030      196.3545 -120.0863      229.7979 -39.36402      377.9627 58.39655 27.25437 76.85772 35.55505 -18.46117      44.79914 
1 1 1 11  35 21 o 62.99313 27.83794 17.14981       202.1302 -44.38808      231.0818 217.6114       417.0710 62.43526 28.48067 90.31776 39.94699 -27.88251      49.06028 
1 1 1 11  35 22 o 60.27173 27.22163 -24.31311      204.7659 -57.66725      233.9917 84.74890       423.1188 61.81461 28.37069 83.89396 38.37172 -22.07935      47.72091 
1 1 1 11  35 23 o 87.88451 32.67671 284.5695       224.8011 174.2400       260.6938 604.5311       443.9498 79.19618 33.23769 111.1654 44.63035 -31.96922      55.64722 
1 1 1 11  35 24 o 57.65206 26.56069 -63.85698      207.8053 -71.12019      240.0520 -42.13914      415.0969 61.13062 28.29913 76.94077 36.14039 -15.81016      45.90173 
1 1 1 11  35 25 o 62.93704 27.78246 34.00223       200.7946 -137.2349      229.6275 590.3151       413.8896 56.27466 26.57042 108.5249 43.25356 -52.25029      50.76276 
1 1 1 11  35 26 o 70.90590 30.03171 123.6645       215.9799 115.5263       246.4465 150.6105       448.4383 72.44145 31.40141 84.38082 38.92613 -11.93937      50.01292 
1 1 1 11  35 27 o 72.76955 30.31391 150.4784       214.4398 363.6584       241.7133 -637.4838      464.7079 93.75819 34.04605 63.18505 31.47627 30.57314       46.36690 
1 1 1 11  35 28 o 62.32521 27.92020 22.03334       210.5148 122.6018       240.3868 -308.8552      436.0341 71.85560 31.08037 68.03568 33.22589 3.819923       45.49670 
1 1 1 11  35 29 o 145.5131 26.72906 777.6835       219.7025 888.0665       264.0976 529.6158       395.9119 150.6395 30.92993 100.8214 41.51892 49.81802       51.77336 
1 1 1 11  35 30 o 51.09855 24.53984 -185.6077      213.6481 -90.77390      264.1463 -365.0170      363.3168 61.02155 28.71499 60.56451 29.73309 0.4570389      41.33530 
1 1 1 11  35 31 o 54.24261 25.87675 -152.7275      229.0980 27.78940       281.1227 -509.6660      395.3062 67.87004 31.13027 59.35482 29.47863 8.515224       42.87288 
1 1 1 11  36 0  o 161.6557 15.10730 796.7111       141.5694 0.000000       0.000000 796.7111       141.5694 ?        ?        161.6557 15.10730 0.000000       15.10730 
1 1 1 11  36 1  o 226.9370 10.93893 1538.746       145.1610 981.5190       314.1281 1690.047       163.6864 168.7763 32.91814 237.5055 11.78821 -68.72916      34.96521 
1 1 1 11  36 2  o 132.8991 14.77158 539.7043       113.1900 167.4557       299.6369 601.6664       122.2480 87.38941 36.06689 140.2788 15.09669 -52.88937      39.09899 
1 1 1 11  36 3  o 138.2693 14.66546 583.6301       117.1134 12.49736       310.8391 678.1161       126.4302 78.03168 34.50088 149.1544 14.64169 -71.12277      37.47919 
1 1 1 11  36 4  o 128.4108 16.11819 508.5908       118.7186 792.3004       315.9386 461.9450       128.1068 148.0906 36.59169 121.3219 18.59654 26.76871       41.04611 
1 1 1 11  36 5  o 208.2036 11.35232 1299.045       138.0948 1060.023       314.0492 1356.339       153.7576 175.9201 31.60049 212.3218 12.40184 -36.40172      33.94696 
1 1 1 11  36 6  o 66.54729 22.97206 132.3560       108.8723 509.1637       302.1106 76.11691       116.7146 117.5818 38.23845 59.00384 23.13964 58.57795       44.69477 
1 1 1 11  36 7  o 53.48384 22.08580 39.03196       112.4418 39.06686       295.7998 39.02606       121.5674 77.40356 33.96012 55.06913 22.87271 22.33443       40.94448 
1 1 1 11  36 8  o 93.41485 21.10737 283.8773       112.9040 454.7887       279.6927 250.6055       123.4054 111.4667 36.82346 87.03141 23.59145 24.43528       43.73241 
1 1 1 11  36 9  o 85.45140 26.36149 243.6319       145.2528 713.2210       330.4420 131.1654       161.7141 136.2669 39.23100 70.91822 27.39890 65.34872       47.85155 
1 1 1 11  36 10 o 210.3956 14.20193 1349.021       174.2137 1517.676       311.3226 1272.130       210.2080 214.9804 25.16813 202.0499 17.92528 12.93054       30.89904 
1 1 1 11  36 11 o 215.8783 22.75549 1505.005       283.7728 1505.005       283.7728 0.000000       0.000000 215.8783 22.75549 ?        ?        0.000000       22.75549 
1 1 1 11  36 12 o 69.40335 30.33264 32.23271       233.9684 32.23271       233.9684 0.000000       0.000000 69.40335 30.33264 ?        ?        0.000000       30.33264 
1 1 1 11  36 13 o 97.00723 33.36478 336.0007       229.5926 336.0007       229.5926 0.000000       0.000000 97.00723 33.36478 ?        ?        0.000000       33.36478 
1 1 1 11  36 14 o 152.5109 26.75523 791.4917       230.5867 791.4917       230.5867 0.000000       0.000000 152.5109 26.75523 ?        ?        0.000000       26.75523 
1 1 1 11  36 15 o 81.24532 32.08418 192.6975       225.7557 192.6975       225.7557 0.000000       0.000000 81.24532 32.08418 ?        ?        0.000000       32.08418 
1 1 1 11  36 16 o 64.04816 27.92513 28.76868       197.2785 10.72978       227.6115 83.24120       395.5287 66.35396 29.42095 84.69968 38.08067 -18.34573      48.12203 
1 1 1 11  36 17 o 70.61969 29.46241 104.0351       203.0057 164.9057       242.5597 -38.30359      370.9165 79.03185 32.51690 76.81178 35.42281 2.220070       48.08455 
1 1 1 11  36 18 o 88.26207 33.67763 273.1867       242.2444 273.1867       242.2444 0.000000       0.000000 88.26207 33.67763 ?        ?        0.000000       33.67763 
1 1 1 11  36 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  36 20 o 135.2391 26.04949 639.7188       199.1162 547.8425       231.6319 899.7954       389.7149 119.4937 32.29150 140.1024 43.17258 -20.60871      53.91301 
1 1 1 11  36 21 o 87.77666 31.23244 284.4580       202.2375 235.6248       235.0246 423.7720       396.9658 83.19389 32.77249 100.0492 41.42351 -16.85527      52.81991 
1 1 1 11  36 22 o 58.44528 26.86284 -57.40345      210.8176 -78.52189      243.7397 5.315552       420.0441 61.19733 28.39432 79.08739 36.89005 -17.89006      46.55227 
1 1 1 11  36 23 f 78.63419 31.34056 204.5786       217.2988 295.4686       253.5921 -46.54245      421.5211 88.04523 34.22948 76.56471 36.10448 11.48052       49.75129 
1 1 1 11  36 24 o 160.0344 25.36445 903.7458       230.1320 1145.869       272.6747 304.2818       429.0507 178.7124 26.84486 90.83309 40.32778 87.87926       48.44560 
1 1 1 11  36 25 o 72.92842 30.51708 149.0853       218.7758 286.6477       256.7216 -215.8261      418.1251 86.15874 34.15401 69.84084 33.73850 16.31789       48.00816 
1 1 1 11  36 26 o 50.90365 24.61229 -231.6174      223.7459 -243.1157      263.3090 -201.7445      424.4107 55.27384 26.71910 70.35618 33.98835 -15.08234      43.23330 
1 1 1 11  36 27 o 76.04609 30.97526 193.7724       217.3518 254.4786       256.0614 37.27783       411.1285 82.40884 33.60044 76.78405 36.03526 5.624786       49.26996 
1 1 1 11  36 28 o 67.06763 28.80950 101.4599       203.7934 187.4158       249.0299 -72.81651      354.5953 76.45661 32.30875 69.07045 32.73259 7.386162       45.99215 
1 1 1 11  36 29 o 105.0199 30.83744 447.9893       202.3696 818.8934       265.4808 -66.45559      312.6595 141.7833 32.60774 66.12726 31.15565 75.65607       45.09922 
1 1 1 11  37 0  o 148.8932 14.38127 678.5613       124.0195 36.69940       301.8480 808.9216       136.0317 77.25456 34.08474 162.6613 14.40841 -85.40678      37.00502 
1 1 1 11  37 1  o 83.89918 31.63520 213.9156       212.2323 -42.57307      295.7905 486.0722       304.6909 72.11826 32.63072 113.6621 38.45003 -41.54386      50.42984 
1 1 1 11  37 2  o 141.0686 26.09182 665.7431       207.9174 619.5764       308.3444 704.2369       281.5572 127.4159 38.22926 138.8706 34.67751 -11.45466      51.61401 
1 1 1 11  37 3  o 158.1489 13.55109 761.7548       124.4769 721.7444       307.8832 769.5727       136.0959 138.4591 37.14780 158.3941 14.82278 -19.93494      39.99592 
1 1 1 11  37 4  f 193.0549 12.13180 1125.207       136.6643 1287.359       315.7944 1087.840       151.5953 194.9407 28.46080 189.0332 13.76845 5.907440       31.61625 
1 1 1 11  37 5  o 92.54664 21.41446 281.0031       113.9235 -158.6677      297.9610 356.2818       123.2911 66.37405 30.99629 104.7547 20.80194 -38.38062      37.32949 
1 1 1 11  37 6  o 140.3665 14.89862 606.7665       120.7770 714.0760       282.2883 582.7213       133.6250 139.2591 34.69271 136.5362 17.05859 2.722900       38.65979 
1 1 1 11  37 7  o 93.63837 21.29759 287.9803       114.3100 614.1874       307.3055 235.5965       123.1466 125.8399 38.25377 83.96434 23.87806 41.87560       45.09449 
1 1 1 11  37 8  o 150.3018 22.51540 736.6228       192.3678 452.1399       291.6911 955.5862       255.9063 109.1463 37.60455 168.2015 26.84361 -59.05519      46.20261 
1 1 1 11  37 9  o 72.90907 25.28161 168.0104       131.9258 825.1426       287.1097 -7.868688      148.5349 150.3902 33.41935 54.45897 23.97325 95.93124       41.12870 
1 1 1 11  37 10 o 80.87502 26.29726 218.9255       142.8878 367.6083       264.8367 157.8726       169.7075 100.1770 35.73050 73.96833 28.19667 26.20863       45.51616 
1 1 1 11  37 11 o 62.26059 28.82203 -107.9505      248.9992 -107.9505      248.9992 0.000000       0.000000 62.26059 28.82203 ?        ?        0.000000       28.82203 
1 1 1 11  37 12 o 70.08189 31.04977 21.84696       253.0266 21.84696       253.0266 0.000000       0.000000 70.08189 31.04977 ?        ?        0.000000       31.04977 
1 1 1 11  37 13 o 59.26431 27.77283 -144.8020      242.7028 -144.8020      242.7028 0.000000       0.000000 59.26431 27.77283 ?        ?        0.000000       27.77283 
1 1 1 11  37 14 o 169.0311 26.62065 981.3749       255.1786 981.3749       255.1786 0.000000       0.000000 169.0311 26.62065 ?        ?        0.000000       26.62065 
1 1 1 11  37 15 o 107.4059 34.52678 449.0787       246.7481 449.0787       246.7481 0.000000       0.000000 107.4059 34.52678 ?        ?        0.000000       34.52678 
1 1 1 11  37 16 o 49.52851 24.20596 -333.9552      232.6984 -333.9552      232.6984 0.000000       0.000000 49.52851 24.20596 ?        ?        0.000000       24.20596 
1 1 1 11  37 17 o 84.15301 31.84105 245.5189       215.4309 398.4261       260.6809 -83.87566      382.6074 100.2150 35.47900 74.49342 34.89706 25.72153       49.76509 
1 1 1 11  37 18 o 53.10537 25.35681 -195.1698      221.0151 -253.3826      265.9614 -65.25444      397.3192 56.50959 27.20040 75.91933 35.56395 -19.40973      44.77339 
1 1 1 11  37 19 o 75.65515 30.84872 165.3062       215.8549 221.0354       264.4610 54.08475       373.6065 82.87334 34.00974 78.82752 36.05532 4.045815       49.56459 
1 1 1 11  37 20 o 110.3133 31.54856 473.2536       214.3770 276.1020       252.4836 982.5494       405.8056 86.75658 34.03074 142.7286 44.06765 -55.97203      55.67809 
1 1 1 11  37 21 o 150.2510 26.48674 805.7055       224.8721 977.3752       263.6250 347.1421       430.8632 163.5113 28.52788 93.76689 41.06713 69.74440       50.00349 
1 1 1 11  37 22 o 83.83311 31.67043 261.6277       212.9350 297.2632       245.4726 153.2997       427.9879 87.61903 33.78183 83.94670 38.46933 3.672333       51.19669 
1 1 1 11  37 23 o 151.7152 25.62515 821.2219       219.8935 925.0110       252.0489 490.5221       449.9102 158.3376 28.17532 99.43504 42.76083 58.90259       51.20876 
1 1 1 11  37 24 o 49.38062 23.87149 -224.3195      210.2380 -13.82966      238.9234 -946.4082      442.5255 63.07574 28.84395 56.07893 28.31076 6.996815       40.41624 
1 1 1 11  37 25 o 52.67310 25.08596 -154.1854      213.4568 -246.6608      252.8961 74.90311       398.0436 53.72258 26.02114 77.74440 36.14480 -24.02182      44.53703 
1 1 1 11  37 26 o 76.68800 30.70659 207.1002       209.5714 298.9209       266.9655 59.65158       338.3024 85.79089 34.55121 73.50823 33.87426 12.28266       48.38648 
1 1 1 11  37 27 o 50.46417 24.14457 -165.1358      202.5697 -104.2070      272.7753 -240.0545      302.4747 61.12892 28.89159 58.78030 28.46776 2.348621       40.56029 
1 1 1 11  37 28 o 82.86597 30.91910 272.4001       201.6110 513.8915       267.9740 -42.58485      306.0460 105.5743 36.05399 66.31945 31.11355 39.25488       47.62293 
1 1 1 11  38 0  o 211.2326 11.87051 1348.476       146.4637 647.8507       313.8971 1543.463       165.5949 127.9370 38.61369 225.6339 12.56349 -97.69688      40.60614 
1 1 1 11  38 1  o 175.0617 13.23739 934.3427       134.9006 769.0005       304.9321 974.5768       150.4211 141.9113 36.44923 178.1280 14.52476 -36.21666      39.23665 
1 1 1 11  38 2  o 100.5567 20.63000 330.7146       117.5801 456.7259       307.6639 309.1623       127.2386 108.6569 38.53650 96.12659 22.89799 12.53031       44.82611 
1 1 1 11  38 3  o 92.49221 32.38940 300.1766       216.8226 477.4188       303.5253 115.4839       309.8391 110.6864 38.34930 81.44143 35.25614 29.24500       52.09285 
1 1 1 11  38 4  o 43.61165 19.58702 -33.13066      104.3351 -338.8200      290.5391 12.12716       111.7921 57.76550 27.95811 49.75158 21.35389 8.013924       35.18017 
1 1 1 11  38 5  o 165.6330 13.07969 836.7709       126.0254 609.4865       298.4920 886.0753       139.0242 124.4732 37.67277 169.9615 14.07332 -45.48833      40.21562 
1 1 1 11  38 6  o 99.62788 20.61091 325.3866       116.4532 522.4949       295.6212 289.1813       126.6978 115.1785 37.84853 92.61810 23.33816 22.56039       44.46550 
1 1 1 11  38 7  o 133.9832 15.38759 558.0844       118.7204 776.6719       297.6180 516.7202       129.4670 142.7598 35.65522 127.6859 17.76964 15.07397       39.83786 
1 1 1 11  38 8  o 54.26731 23.00122 30.57590       126.8477 306.9623       284.2390 -38.15742      141.7454 93.85589 36.30742 50.51980 22.74794 43.33609       42.84504 
1 1 1 11  38 9  o 65.75425 24.63203 123.5779       128.2143 -10.56039      280.0643 159.1454       144.2144 70.55957 31.85493 71.85390 26.26665 -1.294327      41.28769 
1 1 1 11  38 10 o 125.0069 35.33586 607.8112       270.5080 607.8112       270.5080 0.000000       0.000000 125.0069 35.33586 ?        ?        0.000000       35.33586 
1 1 1 11  38 11 o 92.56879 34.70233 310.5635       254.5773 310.5635       254.5773 0.000000       0.000000 92.56879 34.70233 ?        ?        0.000000       34.70233 
1 1 1 11  38 12 o 125.0799 34.99863 614.8905       266.7821 614.8905       266.7821 0.000000       0.000000 125.0799 34.99863 ?        ?        0.000000       34.99863 
1 1 1 11  38 13 o 98.06403 35.69756 375.6606       265.9583 375.6606       265.9583 0.000000       0.000000 98.06403 35.69756 ?        ?        0.000000       35.69756 
1 1 1 11  38 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  38 15 f 46.82228 23.32217 -518.5106      254.8027 -518.5106      254.8027 0.000000       0.000000 46.82228 23.32217 ?        ?        0.000000       23.32217 
1 1 1 11  38 16 o 61.74482 28.87263 -109.2682      259.9383 -109.2682      259.9383 0.000000       0.000000 61.74482 28.87263 ?        ?        0.000000       28.87263 
1 1 1 11  38 17 o 70.00780 30.49481 79.76109       234.7852 6.117353       300.7080 194.7585       375.7691 71.14494 32.46733 85.53720 37.87089 -14.39226      49.88318 
1 1 1 11  38 18 o 100.3870 33.40604 405.9926       230.0761 363.4980       283.3997 488.1485       394.0499 94.42830 36.32643 102.5850 41.73617 -8.156738      55.33098 
1 1 1 11  38 19 o 68.50640 31.20706 9.345251       276.2239 9.345251       276.2239 0.000000       0.000000 68.50640 31.20706 ?        ?        0.000000       31.20706 
1 1 1 11  38 20 o 52.85610 25.41818 -212.7885      230.9966 -131.7451      279.5392 -387.2817      410.1789 61.76465 29.20868 64.92213 31.81488 -3.157478      43.18951 
1 1 1 11  38 21 o 49.20276 23.96801 -274.7160      222.8659 -336.7740      263.0465 -116.8423      419.5549 52.12432 25.52969 72.78905 34.80474 -20.66472      43.16405 
1 1 1 11  38 22 o 47.61666 23.31677 -302.4712      219.0554 -417.6756      250.8295 67.79342       449.6766 48.13047 23.82993 80.23905 37.66624 -32.10858      44.57142 
1 1 1 11  38 23 o 69.43790 29.65546 117.8728       213.6535 111.3920       250.2247 135.3111       410.4581 71.45612 31.29586 80.71861 37.23833 -9.262489      48.64282 
1 1 1 11  38 24 o 113.5841 29.71575 507.7546       200.1870 708.3432       243.5766 90.26984       351.4008 132.7019 31.72770 75.58170 34.71804 57.12024       47.03179 
1 1 1 11  38 25 o 71.85050 29.34937 164.2539       195.8048 8.536152       263.6258 355.8564       292.4283 65.68936 30.13594 89.99889 36.19097 -24.30952      47.09524 
1 1 1 11  38 26 o 73.92016 29.65860 187.0154       195.9240 46.73489       267.7097 348.8086       287.5050 67.94028 30.86047 89.23540 35.88465 -21.29513      47.32944 
1 1 1 11  39 0  o 185.5118 12.92939 1050.685       139.7891 1282.958       344.4757 1004.895       152.9487 187.4926 32.50486 180.4485 14.57644 7.044174       35.62356 
1 1 1 11  39 1  o 42.26662 19.47921 -65.94759      111.9051 -168.8125      296.8576 -48.90891      120.8182 64.42416 30.35476 45.52965 20.70085 18.89452       36.74148 
1 1 1 11  39 2  o 78.15954 23.02226 205.6852       112.6446 209.8546       286.4791 204.9227       122.5129 85.30622 35.24236 77.92976 24.23861 7.376465       42.77305 
1 1 1 11  39 3  o 72.00359 23.01871 171.1548       109.7846 120.3856       295.8680 179.2611       118.2248 79.51061 34.43613 73.55363 23.92060 5.956985       41.92902 
1 1 1 11  39 4  o 50.05227 21.36317 19.26408       110.7533 -284.9000      313.8030 62.54370       118.3709 61.65330 29.64281 56.39880 22.90103 5.254498       37.45869 
1 1 1 11  39 5  o 122.6936 17.34966 478.7847       121.3635 240.1084       293.2876 528.0983       133.3129 87.59138 35.86591 128.4677 18.20326 -40.87634      40.22092 
1 1 1 11  39 6  o 66.15149 23.61779 135.1638       115.7404 355.8734       285.6541 91.81359       126.5976 96.92196 36.66681 61.05036 24.05178 35.87160       43.85138 
1 1 1 11  39 7  o 76.07224 25.19920 195.1808       130.9535 72.30442       295.9490 225.0967       146.0271 75.90759 33.60808 80.78012 26.60380 -4.872528      42.86333 
1 1 1 11  39 8  o 177.6122 14.96838 980.8851       154.4689 1089.521       295.7491 940.1328       181.1392 173.5608 30.14836 171.5101 18.29017 2.050720       35.26264 
1 1 1 11  39 9  o 113.4954 22.62590 435.7552       145.3162 431.1244       265.6734 437.7321       173.5844 103.6205 35.87965 110.7521 26.97773 -7.131538      44.89039 
1 1 1 11  39 10 o 174.6514 15.48261 954.4371       156.9455 1126.170       270.8148 867.5920       192.5828 179.8186 26.47078 162.6102 20.65959 17.20836       33.57858 
1 1 1 11  39 11 o 214.2380 20.71912 1502.605       257.0815 1502.605       257.0815 0.000000       0.000000 214.2380 20.71912 ?        ?        0.000000       20.71912 
1 1 1 11  39 12 o 92.63701 34.08543 328.7152       243.4725 328.7152       243.4725 0.000000       0.000000 92.63701 34.08543 ?        ?        0.000000       34.08543 
1 1 1 11  39 13 o 77.83926 32.39744 171.1560       244.6204 171.1560       244.6204 0.000000       0.000000 77.83926 32.39744 ?        ?        0.000000       32.39744 
1 1 1 11  39 14 o 105.6805 34.81692 457.4202       250.0995 457.4202       250.0995 0.000000       0.000000 105.6805 34.81692 ?        ?        0.000000       34.81692 
1 1 1 11  39 15 o 96.92986 36.26539 389.1707       277.7420 389.1707       277.7420 0.000000       0.000000 96.92986 36.26539 ?        ?        0.000000       36.26539 
1 1 1 11  39 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  39 17 o 73.90759 33.23987 77.72060       301.6485 77.72060       301.6485 0.000000       0.000000 73.90759 33.23987 ?        ?        0.000000       33.23987 
1 1 1 11  39 18 o 73.99579 31.03086 155.7916       226.9514 59.00161       295.5995 294.7671       354.2075 72.09344 32.61977 88.22781 37.94130 -16.13438      50.03590 
1 1 1 11  39 19 o 71.09743 30.61610 118.8892       231.2379 357.0605       292.4034 -278.7291      377.8078 91.78020 36.42855 64.82909 31.49491 26.95112       48.15567 
1 1 1 11  39 20 o 60.87312 28.96795 -149.1913      283.4702 -149.1913      283.4702 0.000000       0.000000 60.87312 28.96795 ?        ?        0.000000       28.96795 
1 1 1 11  39 21 o 59.60572 27.36692 -30.06266      218.0002 -38.73190      257.0224 -7.836291      411.5425 63.07585 29.22845 75.12174 35.49981 -12.04589      45.98411 
1 1 1 11  39 22 o 52.93150 25.16399 -141.5691      212.8549 109.8848       258.9870 -664.9592      373.6470 71.40819 31.53585 54.62993 27.36636 16.77826       41.75437 
1 1 1 11  39 23 o 75.42169 29.97014 200.5065       198.1313 155.5710       244.8820 285.6774       337.1382 73.54911 31.58689 85.05156 36.79776 -11.50245      48.49543 
1 1 1 11  39 24 o 73.17176 29.26701 182.0468       190.1711 302.4942       248.2115 10.84707       295.9202 85.57183 33.68850 68.07896 31.48212 17.49287       46.10899 
1 1 1 11  39 25 o 39.09821 19.61349 -456.2268      195.2065 -345.7032      262.0793 -593.9499      292.5557 50.82916 25.01296 47.90518 24.02862 2.923977       34.68462 
1 1 1 11  40 0  o 129.5749 18.93828 544.9856       139.6663 1254.211       359.7345 419.1043       151.5551 179.1240 35.49861 110.0950 24.13880 69.02900       42.92823 
1 1 1 11  40 1  o 291.7780 10.76048 2573.039       183.8190 2002.415       335.6418 2817.518       219.6956 243.7222 23.78403 303.9172 12.35155 -60.19504      26.80002 
1 1 1 11  40 2  o 111.4113 20.34324 411.0134       128.0266 111.5317       296.5999 479.5897       141.9296 77.48962 34.00171 120.1834 20.89432 -42.69379      39.90850 
1 1 1 11  40 3  o 74.41309 31.31122 133.3016       232.2878 264.7411       325.3067 -3.436338      331.7987 88.88593 37.20482 73.79427 33.83728 15.09165       50.29076 
1 1 1 11  40 4  f 106.3897 20.95790 378.3994       126.1128 363.8912       312.2104 381.2282       137.8603 96.02740 37.78951 105.5749 22.92363 -9.547508      44.19886 
1 1 1 11  40 5  o 163.2349 13.77912 824.5345       130.6815 1079.801       305.6776 767.4460       144.5577 169.8831 31.85037 156.0288 16.02494 13.85437       35.65452 
1 1 1 11  40 6  o 100.2336 22.03085 341.3900       125.9687 765.1593       316.9453 261.8922       137.2768 134.4252 38.33316 86.05459 25.43269 48.37064       46.00275 
1 1 1 11  40 7  o 104.4463 22.86524 373.8769       136.1684 380.0270       284.5877 372.0508       155.0715 97.19193 36.63618 102.2191 25.85385 -5.027161      44.84006 
1 1 1 11  40 8  o 44.06239 20.52908 -85.06783      129.4832 94.34457       263.7126 -142.0609      148.6332 73.55185 32.17309 44.14884 20.99983 29.40301       38.42006 
1 1 1 11  40 9  o 69.82185 26.05809 154.1810       143.2173 -115.7682      260.3147 271.3594       171.5069 61.29303 28.73613 86.11298 28.84618 -24.81995      40.71691 
1 1 1 11  40 10 o 136.2013 19.11493 606.4198       148.4911 840.7966       244.4479 469.3586       186.9331 152.0951 28.45001 112.7341 28.31537 39.36099       40.13930 
1 1 1 11  40 11 o 53.80673 26.07392 -275.9532      254.6745 -275.9532      254.6745 0.000000       0.000000 53.80673 26.07392 ?        ?        0.000000       26.07392 
1 1 1 11  40 12 o 86.42429 34.54820 276.6621       264.8436 276.6621       264.8436 0.000000       0.000000 86.42429 34.54820 ?        ?        0.000000       34.54820 
1 1 1 11  40 13 o 87.98483 34.59798 298.7465       261.5264 298.7465       261.5264 0.000000       0.000000 87.98483 34.59798 ?        ?        0.000000       34.59798 
1 1 1 11  40 14 o 105.2529 37.02832 489.9481       283.5983 489.9481       283.5983 0.000000       0.000000 105.2529 37.02832 ?        ?        0.000000       37.02832 
1 1 1 11  40 15 o 100.4574 36.55454 443.8096       278.8429 443.8096       278.8429 0.000000       0.000000 100.4574 36.55454 ?        ?        0.000000       36.55454 
1 1 1 11  40 16 o 70.14371 31.83303 44.54882       284.0729 44.54882       284.0729 0.000000       0.000000 70.14371 31.83303 ?        ?        0.000000       31.83303 
1 1 1 11  40 17 o 52.84286 25.99586 -379.9139      282.3643 -379.9139      282.3643 0.000000       0.000000 52.84286 25.99586 ?        ?        0.000000       25.99586 
1 1 1 11  40 18 o 124.1481 37.44374 696.8611       295.2384 696.8611       295.2384 0.000000       0.000000 124.1481 37.44374 ?        ?        0.000000       37.44374 
1 1 1 11  40 19 o 44.78399 22.34032 -469.8313      237.5259 -611.8051      296.4393 -215.2048      396.9936 48.35235 24.24366 67.31976 32.60593 -18.96741      40.63129 
1 1 1 11  40 20 o 72.18600 30.87943 145.9464       232.3361 173.3346       283.9013 90.40827       404.2788 76.59068 33.44467 77.61106 36.19801 -1.020378      49.28328 
1 1 1 11  40 21 o 65.86102 30.40678 -1.668459      274.4115 -1.668459      274.4115 0.000000       0.000000 65.86102 30.40678 ?        ?        0.000000       30.40678 
1 1 1 11  40 22 o 65.36700 28.73204 75.45054       212.6227 61.78016       256.8343 105.2266       379.0503 67.87978 30.58778 76.79572 35.55432 -8.915932      46.90119 
1 1 1 11  40 23 o 73.75591 30.32485 184.8982       210.7658 160.9258       263.0949 227.8436       352.1402 74.09521 32.27804 81.03463 36.21992 -6.939415      48.51550 
1 1 1 11  41 0  o 92.04038 34.48702 332.7303       251.3624 -381.8397      345.6279 1135.009       366.2259 60.28534 29.47113 163.6370 38.76095 -103.3516      48.69249 
1 1 1 11  41 1  f 199.7151 13.58608 1234.379       158.1839 953.4916       315.6928 1328.544       182.7856 153.3108 35.76837 205.8418 15.24941 -52.53094      38.88343 
1 1 1 11  41 2  o 164.2781 15.39053 849.3691       146.5540 586.7350       298.4743 932.8029       168.2297 115.7623 38.03024 170.9597 17.00388 -55.19740      41.65850 
1 1 1 11  41 3  o 108.5317 21.20821 397.8385       130.1510 496.9570       320.8427 378.3155       142.3930 105.5540 39.07676 103.9961 23.85478 1.557930       45.78257 
1 1 1 11  41 4  o 64.50890 24.52669 123.7675       128.1958 -134.0018      302.2116 180.3276       141.5632 64.47144 30.45306 73.06046 26.11595 -8.589020      40.11773 
1 1 1 11  41 5  o 58.93937 23.99462 78.17873       130.3426 57.25871       299.7632 83.05618       144.7417 73.32513 33.04312 61.14445 25.13390 12.18068       41.51579 
1 1 1 11  41 6  o 41.76605 19.79503 -118.1863      129.7477 180.9299       300.1738 -186.9113      143.8831 80.60152 34.79676 40.72932 19.70358 39.87220       39.98806 
1 1 1 11  41 7  o 91.82706 25.28374 303.7132       140.4666 277.7237       283.3120 312.1843       161.7466 86.72204 35.34914 91.62544 27.73200 -4.903404      44.92912 
1 1 1 11  41 8  f 99.23087 25.38320 355.0951       148.2992 387.2047       284.9134 343.1631       173.6814 95.77139 36.52813 95.19378 28.72077 0.5776138      46.46705 
1 1 1 11  41 9  o 164.8752 15.99444 864.1488       152.7182 952.9946       264.3827 819.6589       187.0879 160.0325 29.24657 156.4285 20.91664 3.603958       35.95647 
1 1 1 11  41 10 f 96.84257 26.12615 343.9532       151.7797 79.29742       262.9712 476.1588       185.8628 71.07333 31.56256 112.6216 28.20440 -41.54826      42.32828 
1 1 1 11  41 11 o 198.5566 24.55078 1379.265       279.8068 1379.265       279.8068 0.000000       0.000000 198.5566 24.55078 ?        ?        0.000000       24.55078 
1 1 1 11  41 12 o 90.60847 35.33658 340.9131       270.9328 340.9131       270.9328 0.000000       0.000000 90.60847 35.33658 ?        ?        0.000000       35.33658 
1 1 1 11  41 13 o 89.85659 36.63008 337.9276       304.2491 337.9276       304.2491 0.000000       0.000000 89.85659 36.63008 ?        ?        0.000000       36.63008 
1 1 1 11  41 14 o 130.7211 38.45798 781.9559       314.4909 781.9559       314.4909 0.000000       0.000000 130.7211 38.45798 ?        ?        0.000000       38.45798 
1 1 1 11  41 15 o 68.58012 31.46132 18.40172       287.2991 18.40172       287.2991 0.000000       0.000000 68.58012 31.46132 ?        ?        0.000000       31.46132 
1 1 1 11  41 16 o 56.27095 26.94837 -177.3978      253.6541 -177.3978      253.6541 0.000000       0.000000 56.27095 26.94837 ?        ?        0.000000       26.94837 
1 1 1 11  41 17 o 61.79900 29.09386 -85.46272      271.7032 -85.46272      271.7032 0.000000       0.000000 61.79900 29.09386 ?        ?        0.000000       29.09386 
1 1 1 11  41 18 f 88.41275 35.12536 337.6150       272.1036 337.6150       272.1036 0.000000       0.000000 88.41275 35.12536 ?        ?        0.000000       35.12536 
1 1 1 11  41 19 o 73.74966 31.32151 167.6295       236.0159 163.0799       261.4680 187.6445       548.4130 74.58695 32.33779 84.53544 40.24625 -9.948486      51.62841 
1 1 1 11  41 20 o 60.48877 28.22776 -55.37420      246.3970 -55.37420      246.3970 0.000000       0.000000 60.48877 28.22776 ?        ?        0.000000       28.22776 
1 1 1 11  41 21 o 86.48450 41.08211 287.1246       565.0478 0.000000       0.000000 287.1246       565.0478 ?        ?        86.48450 41.08211 0.000000       41.08211 
1 1 1 11  42 0  f 113.9764 23.02185 452.7565       148.5838 125.7027       361.7440 519.1320       162.9653 79.27219 35.95457 121.7036 23.68441 -42.43137      43.05441 
1 1 1 11  42 1  o 86.24384 26.95556 275.9364       151.3201 501.2310       336.7616 218.9404       169.3828 103.0225 39.60770 78.04671 28.47652 24.97582       48.78199 
1 1 1 11  42 2  o 70.34102 31.06369 84.10922       251.2731 232.9871       344.4616 -85.21030      367.3493 84.24685 36.81261 70.64859 33.43182 13.59826       49.72781 
1 1 1 11  42 3  o 81.91089 26.23239 245.3176       142.5313 -381.5580      329.3997 389.7244       158.0980 57.87553 28.39227 103.0800 26.12317 -45.20451      38.58162 
1 1 1 11  42 4  o 145.8208 17.50463 689.5643       146.7114 1105.880       327.2508 584.8431       164.1296 164.3058 35.03134 130.5045 22.24099 33.80122       41.49526 
1 1 1 11  42 5  o 46.81958 21.53577 -56.03036      135.8533 228.7079       322.5414 -117.4391      149.7882 83.12887 35.97911 45.25872 21.39642 37.87015       41.86053 
1 1 1 11  42 6  o 47.99046 21.76418 -32.59636      132.5069 8.076173       292.7800 -43.07332      148.5965 68.94952 31.67841 49.86377 22.78139 19.08575       39.01940 
1 1 1 11  42 7  o 64.59524 25.58351 120.6635       143.9267 -255.5098      301.8451 231.3577       163.7392 58.79880 28.46749 79.27323 28.11341 -20.47443      40.00952 
1 1 1 11  42 8  o 75.43954 26.98130 203.8003       151.1216 162.4712       276.3357 221.4348       180.5055 76.50005 33.20539 78.03247 29.22755 -1.532425      44.23627 
1 1 1 11  42 9  o 96.05388 26.50382 344.7844       154.1659 433.5644       289.4634 309.6299       182.1490 97.85251 36.93470 88.91315 29.72677 8.939354       47.41152 
1 1 1 11  42 10 o 129.6879 22.65345 584.7170       166.0325 667.6909       283.8387 541.5580       204.7089 122.3116 36.67428 118.0049 29.62650 4.306664       47.14586 
1 1 1 11  42 11 o 52.09818 25.56884 -344.6362      268.0273 -344.6362      268.0273 0.000000       0.000000 52.09818 25.56884 ?        ?        0.000000       25.56884 
1 1 1 11  42 12 o 78.99078 34.21556 197.7865       292.1685 197.7865       292.1685 0.000000       0.000000 78.99078 34.21556 ?        ?        0.000000       34.21556 
1 1 1 11  42 13 o 61.95187 29.65607 -160.4215      306.4586 -160.4215      306.4586 0.000000       0.000000 61.95187 29.65607 ?        ?        0.000000       29.65607 
1 1 1 11  42 14 o 75.93771 33.85005 149.5947       305.3900 149.5947       305.3900 0.000000       0.000000 75.93771 33.85005 ?        ?        0.000000       33.85005 
1 1 1 11  42 15 o 59.04301 28.15117 -141.5632      270.3597 -141.5632      270.3597 0.000000       0.000000 59.04301 28.15117 ?        ?        0.000000       28.15117 
1 1 1 11  42 16 o 106.6396 35.91638 524.8897       265.8572 524.8897       265.8572 0.000000       0.000000 106.6396 35.91638 ?        ?        0.000000       35.91638 
1 1 1 11  42 17 o 120.9518 37.95021 697.4672       299.6399 697.4672       299.6399 0.000000       0.000000 120.9518 37.95021 ?        ?        0.000000       37.95021 
1 1 1 11  42 18 o 91.80664 37.14581 400.4947       310.1534 400.4947       310.1534 0.000000       0.000000 91.80664 37.14581 ?        ?        0.000000       37.14581 
1 1 1 11  43 0  o 77.70501 32.80953 198.8091       256.4677 191.7857       340.1023 208.0681       390.4980 80.31685 35.76714 82.73151 37.45675 -2.414665      51.79089 
1 1 1 11  43 1  o 151.6131 19.06924 763.1667       165.8170 325.6465       318.8994 925.2892       194.1226 88.15958 36.86416 165.7441 20.40035 -77.58455      42.13242 
1 1 1 11  43 2  o 62.05345 25.55589 96.11457       150.0136 -142.6542      355.9056 147.6990       165.4266 66.77577 31.96361 68.79094 27.36889 -2.015167      42.08002 
1 1 1 11  43 3  o 131.0104 19.81756 576.7892       147.5146 167.1602       335.9399 674.6404       164.1910 78.86075 35.30325 141.3141 20.40127 -62.45340      40.77415 
1 1 1 11  43 4  o 104.0518 23.80161 387.9713       142.0868 475.2839       343.9903 370.0101       156.0183 98.60268 39.38792 99.46346 26.33523 -0.8607712     47.38093 
1 1 1 11  43 5  o 106.0071 23.74677 402.0725       143.9630 144.1752       307.7067 474.3434       162.8903 76.29610 33.99603 114.3221 24.99352 -38.02598      42.19485 
1 1 1 11  43 6  o 110.6845 30.17159 487.2603       201.1819 509.2063       321.7041 473.1656       257.8151 102.1541 38.85024 102.9442 35.35787 -0.7900391     52.53114 
1 1 1 11  43 7  o 161.1717 18.38057 855.9238       170.6375 972.2513       284.5028 790.5663       213.2519 155.7623 32.20817 147.7944 25.52537 7.967834       41.09636 
1 1 1 11  43 8  o 68.84785 26.67647 155.8235       153.6299 66.23116       280.9602 194.0365       183.4910 70.08777 31.74813 74.35538 29.05663 -4.267616      43.03756 
1 1 1 11  43 9  o 77.81265 27.38482 226.3333       155.1258 448.8259       285.0044 132.6709       184.9167 98.00761 36.72253 68.10608 28.24176 29.90154       46.32646 
1 1 1 11  43 10 o 52.30313 23.63510 -14.85658      154.6022 125.9816       298.2351 -66.61201      180.7909 74.05849 33.19996 52.46790 24.38180 21.59058       41.19113 
1 1 1 11  43 11 o 82.58027 36.00972 258.0084       328.1302 258.0084       328.1302 0.000000       0.000000 82.58027 36.00972 ?        ?        0.000000       36.00972 
1 1 1 11  43 12 o 51.75645 25.85505 -560.9570      323.0890 -560.9570      323.0890 0.000000       0.000000 51.75645 25.85505 ?        ?        0.000000       25.85505 
1 1 1 11  43 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  43 14 o 86.96879 36.36895 332.3071       310.4240 332.3071       310.4240 0.000000       0.000000 86.96879 36.36895 ?        ?        0.000000       36.36895 
1 1 1 11  43 15 o 95.08278 37.62493 445.2942       311.0387 445.2942       311.0387 0.000000       0.000000 95.08278 37.62493 ?        ?        0.000000       37.62493 
1 1 1 11  44 0  o 69.89241 32.55356 17.06151       325.1946 17.06151       325.1946 0.000000       0.000000 69.89241 32.55356 ?        ?        0.000000       32.55356 
1 1 1 11  44 1  o 90.71533 27.01819 317.1637       154.4467 146.1297       316.7259 370.5214       176.9052 75.71854 34.05688 96.38243 28.96541 -20.66389      44.70868 
1 1 1 11  44 2  o 146.5435 18.27416 712.0420       153.6526 842.2994       343.8707 679.5470       171.7522 128.8853 40.68427 140.0836 21.59908 -11.19830      46.06224 
1 1 1 11  44 3  o 86.51852 25.37660 280.9115       137.1077 -16.04287      312.1933 351.8734       152.6129 67.56179 31.60872 96.23042 26.29765 -28.66862      41.11786 
1 1 1 11  44 4  o 43.46427 20.75173 -134.2051      147.9655 -415.9857      336.6073 -66.71581      164.7349 56.31462 27.83168 50.06937 23.26950 6.245243       36.27771 
1 1 1 11  44 5  o 72.30973 27.86132 185.1247       166.8939 293.7833       310.0033 140.7790       198.0433 84.26514 35.84616 69.23012 29.00680 15.03503       46.11227 
1 1 1 11  44 6  o 99.27792 35.34612 454.5014       259.0570 438.2799       312.2999 490.2872       463.8556 94.86060 37.64872 94.36657 41.91211 0.4940338      56.33871 
1 1 1 11  44 7  o 140.0588 21.79531 682.2208       173.2076 925.0024       319.1440 580.8505       206.2215 141.5874 37.74698 121.2709 29.32104 20.31647       47.79705 
1 1 1 11  44 8  o 126.6355 22.33310 563.9377       159.8053 1066.255       304.5229 373.0343       187.7318 159.7657 33.56892 95.43497 30.05204 64.33070       45.05549 
1 1 1 11  44 9  o 67.25881 26.68763 145.2165       156.8893 206.0891       298.4395 121.9692       184.4301 78.23605 34.22391 66.61895 27.95761 11.61710       44.19168 
1 1 1 11  44 10 o 68.66380 27.71911 151.0987       172.2721 0.1230641      306.8433 220.5922       208.1783 67.67001 31.55290 76.87666 30.66396 -9.206650      43.99845 
1 1 1 11  44 11 o 98.72495 38.12904 493.2765       313.1024 493.2765       313.1024 0.000000       0.000000 98.72495 38.12904 ?        ?        0.000000       38.12904 
1 1 1 11  44 12 o 57.19561 28.13228 -344.4621      330.2124 -344.4621      330.2124 0.000000       0.000000 57.19561 28.13228 ?        ?        0.000000       28.13228 
1 1 1 11  45 0  o 68.89811 26.85620 161.8483       156.4324 -98.41225      328.9510 237.9056       177.8269 64.91592 30.97925 78.24181 29.06827 -13.32589      42.48151 
1 1 1 11  45 1  o 65.45050 28.44094 95.24796       203.1924 468.8149       299.0706 -225.0342      276.9209 97.22199 37.33886 56.00916 27.15246 41.21283       46.16759 
1 1 1 11  45 2  o 54.22670 23.37682 42.73466       135.0984 340.7553       323.4123 -20.26160      148.6931 86.70141 36.73688 50.71465 23.02160 35.98676       43.35427 
1 1 1 11  45 3  o 83.10490 25.25302 260.6979       133.9386 195.4965       324.7492 274.0623       147.0260 77.90913 34.80563 84.25872 26.60342 -6.349594      43.80838 
1 1 1 11  45 4  o 72.77279 28.60018 190.0381       178.6242 224.2555       300.6813 171.3763       222.0543 78.86898 34.42959 72.56503 30.57821 6.303947       46.04806 
1 1 1 11  45 5  o 101.5990 29.98178 425.1003       190.8954 629.1298       334.1488 326.2489       232.5867 108.2031 39.91080 86.66859 33.01640 21.53452       51.79724 
1 1 1 11  45 6  o 45.66363 21.57402 -102.5397      151.8314 -143.7741      319.8070 -90.54120      172.5130 62.39771 29.98116 49.46920 23.25600 12.92851       37.94353 
1 1 1 11  45 7  o 64.90266 26.41703 127.6409       157.9513 -100.6249      326.2674 197.5156       180.5150 64.29878 30.73072 73.34961 28.77386 -9.050827      42.09884 
1 1 1 12  0  0  o 625.0818 15.70396 11497.22       574.8793 11497.22       574.8793 11497.22       574.8793 625.0818 15.70396 625.0818 15.70396 0.000000       0.000000 
1 1 1 12  0  1  o 633.5685 22.52546 11852.37       834.5825 11852.37       834.5825 11852.37       834.5825 633.5685 22.52546 633.5685 22.52546 0.000000       0.000000 
1 1 1 12  0  2  o 33.63983 23.79096 -239.8345      191.8265 -239.8345      191.8265 -239.8345      191.8265 33.63983 23.79096 33.63983 23.79096 0.000000       0.000000 
1 1 1 12  0  3  o 86.27946 40.52649 322.1247       230.2345 322.1247       230.2345 322.1247       230.2345 86.27946 40.52649 86.27946 40.52649 0.000000       0.000000 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  10 o 1646.068 39.36531 80184.16       3795.341 80184.16       3795.341 80184.16       3795.341 1646.068 39.36531 1646.068 39.36531 0.000000       0.000000 
1 1 1 12  0  11 o 417.9979 15.52229 5150.809       379.3299 5150.809       379.3299 5150.809       379.3299 417.9979 15.52229 417.9979 15.52229 0.000000       0.000000 
1 1 1 12  0  12 o 542.9122 16.49681 8679.332       524.1684 8679.332       524.1684 8679.332       524.1684 542.9122 16.49681 542.9122 16.49681 0.000000       0.000000 
1 1 1 12  0  13 f 57.07763 36.29283 28.46779       265.7846 28.46779       265.7846 28.46779       265.7846 57.07763 36.29283 57.07763 36.29283 0.000000       0.000000 
1 1 1 12  0  14 o 2091.995 50.07842 130392.3       6136.197 130392.3       6136.197 130392.3       6136.197 2091.995 50.07842 2091.995 50.07842 0.000000       0.000000 
1 1 1 12  0  15 o 29.66198 21.66286 -550.8956      228.9436 -550.8956      228.9436 -550.8956      228.9436 29.66198 21.66286 29.66198 21.66286 0.000000       0.000000 
1 1 1 12  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  17 o 388.8953 13.76342 4457.825       313.0204 4457.825       313.0204 4457.825       313.0204 388.8953 13.76342 388.8953 13.76342 0.000000       0.000000 
1 1 1 12  0  18 o 364.1737 10.77137 3903.067       229.5985 3903.067       229.5985 3903.067       229.5985 364.1737 10.77137 364.1737 10.77137 0.000000       0.000000 
1 1 1 12  0  19 o 383.3784 10.55389 4324.444       236.8897 4324.444       236.8897 4324.444       236.8897 383.3784 10.55389 383.3784 10.55389 0.000000       0.000000 
1 1 1 12  0  20 o 458.7640 10.47791 6188.752       281.5807 6188.752       281.5807 6188.752       281.5807 458.7640 10.47791 458.7640 10.47791 0.000000       0.000000 
1 1 1 12  0  21 o 64.65424 30.92825 181.9478       134.6700 181.9478       134.6700 181.9478       134.6700 64.65424 30.92825 64.65424 30.92825 0.000000       0.000000 
1 1 1 12  0  22 o 65.13648 30.55352 184.1830       130.8276 184.1830       130.8276 184.1830       130.8276 65.13648 30.55352 65.13648 30.55352 0.000000       0.000000 
1 1 1 12  0  23 o 1173.801 20.08474 40703.95       1381.734 40703.95       1381.734 40703.95       1381.734 1173.801 20.08474 1173.801 20.08474 0.000000       0.000000 
1 1 1 12  0  24 o 287.9372 9.795861 2443.782       164.9867 2443.782       164.9867 2443.782       164.9867 287.9372 9.795861 287.9372 9.795861 0.000000       0.000000 
1 1 1 12  0  25 o 35.37609 23.30097 -22.89767      123.4194 -22.89767      123.4194 -22.89767      123.4194 35.37609 23.30097 35.37609 23.30097 0.000000       0.000000 
1 1 1 12  0  26 o 97.62305 24.52612 329.8084       121.4514 329.8084       121.4514 329.8084       121.4514 97.62305 24.52612 97.62305 24.52612 0.000000       0.000000 
1 1 1 12  0  27 o 29.06998 20.02558 -82.96511      113.0013 -82.96511      113.0013 -82.96511      113.0013 29.06998 20.02558 29.06998 20.02558 0.000000       0.000000 
1 1 1 12  0  28 o 90.28535 25.75454 293.1370       118.1561 293.1370       118.1561 293.1370       118.1561 90.28535 25.75454 90.28535 25.75454 0.000000       0.000000 
1 1 1 12  0  29 o 421.6907 9.845587 5234.269       243.1931 5234.269       243.1931 5234.269       243.1931 421.6907 9.845587 421.6907 9.845587 0.000000       0.000000 
1 1 1 12  0  30 o 209.5453 13.31563 1308.131       162.1064 1308.131       162.1064 1308.131       162.1064 209.5453 13.31563 209.5453 13.31563 0.000000       0.000000 
1 1 1 12  0  31 o 26.81123 19.08277 -182.0871      130.5033 -182.0871      130.5033 -182.0871      130.5033 26.81123 19.08277 26.81123 19.08277 0.000000       0.000000 
1 1 1 12  0  32 o 41.47714 26.30300 20.18362       138.5222 20.18362       138.5222 20.18362       138.5222 41.47714 26.30300 41.47714 26.30300 0.000000       0.000000 
1 1 1 12  0  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  34 o 197.8785 14.71624 1175.222       168.5623 1175.222       168.5623 1175.222       168.5623 197.8785 14.71624 197.8785 14.71624 0.000000       0.000000 
1 1 1 12  0  35 o 136.5792 20.87230 591.5041       155.6126 591.5041       155.6126 591.5041       155.6126 136.5792 20.87230 136.5792 20.87230 0.000000       0.000000 
1 1 1 12  0  36 o 184.4757 15.25757 1027.269       162.3840 1027.269       162.3840 1027.269       162.3840 184.4757 15.25757 184.4757 15.25757 0.000000       0.000000 
1 1 1 12  0  37 o 37.48073 25.35869 -72.03094      164.3702 -72.03094      164.3702 -72.03094      164.3702 37.48073 25.35869 37.48073 25.35869 0.000000       0.000000 
1 1 1 12  0  38 o 35.57424 24.33335 -91.78939      160.2204 -91.78939      160.2204 -91.78939      160.2204 35.57424 24.33335 35.57424 24.33335 0.000000       0.000000 
1 1 1 12  0  39 o 30.32479 21.34763 -158.8350      148.7993 -158.8350      148.7993 -158.8350      148.7993 30.32479 21.34763 30.32479 21.34763 0.000000       0.000000 
1 1 1 12  0  40 o 212.3813 13.62375 1357.950       168.0709 1357.950       168.0709 1357.950       168.0709 212.3813 13.62375 212.3813 13.62375 0.000000       0.000000 
1 1 1 12  0  41 o 138.8391 20.09230 617.2177       153.6405 617.2177       153.6405 617.2177       153.6405 138.8391 20.09230 138.8391 20.09230 0.000000       0.000000 
1 1 1 12  0  42 o 24.99670 18.07323 -252.3971      138.4185 -252.3971      138.4185 -252.3971      138.4185 24.99670 18.07323 24.99670 18.07323 0.000000       0.000000 
1 1 1 12  0  43 o 32.69946 22.36148 -70.42033      135.1235 -70.42033      135.1235 -70.42033      135.1235 32.69946 22.36148 32.69946 22.36148 0.000000       0.000000 
1 1 1 12  0  44 o 46.33270 28.37027 73.19336       147.3356 73.19336       147.3356 73.19336       147.3356 46.33270 28.37027 46.33270 28.37027 0.000000       0.000000 
1 1 1 12  0  45 o 60.44815 33.25452 179.8975       170.3735 179.8975       170.3735 179.8975       170.3735 60.44815 33.25452 60.44815 33.25452 0.000000       0.000000 
1 1 1 12  0  46 o 82.64225 34.97881 318.1363       171.4635 318.1363       171.4635 318.1363       171.4635 82.64225 34.97881 82.64225 34.97881 0.000000       0.000000 
1 1 1 12  0  47 o 106.3733 33.28777 457.3492       182.1673 457.3492       182.1673 457.3492       182.1673 106.3733 33.28777 106.3733 33.28777 0.000000       0.000000 
1 1 1 12  0  48 o 99.40085 37.27026 443.5331       202.7748 443.5331       202.7748 443.5331       202.7748 99.40085 37.27026 99.40085 37.27026 0.000000       0.000000 
1 1 1 12  1  0  o 636.7061 12.94972 11912.85       483.5594 11995.17       837.6910 11871.71       592.1868 637.1677 22.45220 635.0671 15.91222 2.100525       27.51908 
1 1 1 12  1  1  o 619.2736 15.55056 11286.25       564.3331 11283.24       796.1184 11289.30       800.0714 618.0811 21.99757 618.2264 22.10192 -0.1453247     31.18314 
1 1 1 12  1  2  o 480.3863 13.31706 6786.540       374.8264 6621.176       518.0430 6968.225       543.0067 473.8330 18.67849 486.0512 19.08612 -12.21814      26.70517 
1 1 1 12  1  3  o 276.9038 12.63973 2257.182       204.7248 2421.768       289.0087 2091.416       290.0432 286.3763 17.28824 265.8800 18.72024 20.49625       25.48197 
1 1 1 12  1  4  o 273.7401 17.53002 2213.575       279.9516 2213.575       279.9516 0.000000       0.000000 273.7401 17.53002 ?        ?        0.000000       17.53002 
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 946.8217 23.36804 26423.97       1297.601 26423.97       1297.601 0.000000       0.000000 946.8217 23.36804 ?        ?        0.000000       23.36804 
1 1 1 12  1  10 o 390.6866 10.78509 4484.315       246.8806 4872.516       361.0236 4143.322       338.3610 406.8975 15.15513 375.1472 15.41181 31.75027       21.61485 
1 1 1 12  1  11 o 976.9449 17.02001 28068.31       975.1702 28064.55       1379.219 28072.08       1378.978 975.4634 24.10859 975.5960 24.10110 -0.1325684     34.08941 
1 1 1 12  1  12 o 73.06977 28.71679 90.87246       180.0834 76.72913       249.7742 106.1833       259.8790 81.57716 33.21385 85.42162 34.19733 -3.844460      47.67197 
1 1 1 12  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  1  14 o 724.8640 13.44261 15439.52       571.4662 15444.99       810.8753 15434.11       805.5020 723.9782 19.11429 723.7452 18.99354 0.2330322      26.94644 
1 1 1 12  1  15 o 599.0818 11.71933 10542.07       411.7553 10229.22       562.3582 10903.62       604.5482 589.4409 16.28315 608.4738 16.95752 -19.03290      23.50954 
1 1 1 12  1  16 o 522.4176 10.67215 8015.160       326.9792 7915.775       462.4879 8114.485       462.3490 518.5427 15.22425 525.0421 15.03047 -6.499451      21.39375 
1 1 1 12  1  17 o 465.7238 8.564768 6367.324       233.9346 6509.919       399.0668 6292.669       288.7500 470.2061 14.48857 462.8470 10.63736 7.359161       17.97421 
1 1 1 12  1  18 o 207.7807 10.24290 1271.351       124.4337 1091.559       175.4294 1453.401       176.5273 191.8912 15.72607 221.8587 13.63287 -29.96753      20.81260 
1 1 1 12  1  19 o 200.7234 10.08658 1186.776       118.3582 1098.173       167.0820 1276.022       167.6874 192.5318 14.91329 207.7574 13.84131 -15.22562      20.34670 
1 1 1 12  1  20 o 487.0710 7.579779 6965.608       216.5207 7034.541       311.1333 6900.875       301.5065 489.1487 10.84564 484.5061 10.61077 4.642517       15.17288 
1 1 1 12  1  21 o 175.7410 10.13984 911.0347       104.0655 812.7386       145.2961 1014.573       149.1203 165.3170 15.15444 185.0470 13.84082 -19.73003      20.52377 
1 1 1 12  1  22 o 257.0191 7.777905 1942.279       117.1058 1876.752       165.2208 2008.431       166.0073 252.2783 11.19483 261.0360 10.86744 -8.757782      15.60209 
1 1 1 12  1  23 o 222.2723 7.878770 1453.500       102.5432 1378.067       142.2485 1535.107       147.9558 216.0443 11.26568 228.0758 11.09448 -12.03152      15.81148 
1 1 1 12  1  24 o 367.5490 6.841458 3968.112       147.4737 3980.568       211.9536 3956.422       205.3230 367.6645 9.838503 366.5900 9.558221 1.074554       13.71699 
1 1 1 12  1  25 o 186.2131 8.736830 1022.117       95.14854 1148.219       136.8841 904.2288       132.3511 196.9731 11.90495 174.5397 13.02341 22.43349       17.64474 
1 1 1 12  1  26 o 261.9114 7.094629 2017.375       108.8766 1899.734       147.9307 2156.420       160.8257 253.7937 9.957968 270.3901 10.15985 -16.59641      14.22616 
1 1 1 12  1  27 o 225.8875 7.545592 1501.760       99.82195 1479.735       141.9440 1523.311       140.4076 223.7847 10.84755 227.1062 10.57071 -3.321564      15.14627 
1 1 1 12  1  28 o 501.5559 7.303514 7394.541       214.8334 7385.234       302.8478 7403.968       304.8022 500.6383 10.31454 501.2602 10.36822 -0.6219482     14.62497 
1 1 1 12  1  29 o 225.3759 8.251747 1496.008       108.8855 1403.146       151.8255 1594.353       156.2444 217.7324 11.93536 232.2073 11.50889 -14.47487      16.58033 
1 1 1 12  1  30 o 255.9492 8.389294 1929.105       125.7600 1888.302       176.7591 1970.933       178.9644 252.6756 11.96197 258.1768 11.85110 -5.501205      16.83857 
1 1 1 12  1  31 o 29.16449 14.52666 -252.0243      98.84341 -281.4066      134.5242 -217.5491      145.7171 36.31346 17.87967 41.69589 20.08607 -5.382427      26.89113 
1 1 1 12  1  32 o 104.1781 22.53325 338.6168       133.6628 263.3620       147.2376 691.2070       318.7035 91.88786 26.10209 145.6283 37.18934 -53.74042      45.43530 
1 1 1 12  1  33 o 166.5415 11.17371 822.8873       108.5051 829.4059       153.8442 816.4352       153.0575 166.2066 15.97941 164.8782 16.03068 1.328491       22.63458 
1 1 1 12  1  34 o 174.8139 11.35273 907.5461       115.7634 707.4488       166.5383 1094.624       161.0290 152.3948 19.04830 191.3534 14.45578 -38.95857      23.91249 
1 1 1 12  1  35 o 43.12484 19.52395 -54.78043      106.0810 -201.5120      159.7913 60.84900       141.8487 45.19894 21.57584 62.36848 25.16160 -17.16954      33.14548 
1 1 1 12  1  36 o 52.55634 21.84207 25.41164       110.9526 194.4639       165.9064 -111.3735      149.2355 81.80562 28.35202 48.30861 22.34572 33.49701       36.09942 
1 1 1 12  1  37 o 170.4654 12.33214 868.4820       122.4557 714.0593       174.7684 1017.411       171.6312 152.0540 20.08913 183.4052 16.12021 -31.35121      25.75722 
1 1 1 12  1  38 o 242.6082 9.190673 1744.917       130.5321 1933.147       187.9879 1569.669       181.3893 254.1626 12.65130 228.6023 13.59081 25.56026       18.56786 
1 1 1 12  1  39 o 123.2379 15.90477 467.6176       112.2757 451.0886       160.1328 483.6003       157.4646 117.6640 24.01888 122.5196 22.75164 -4.855598      33.08389 
1 1 1 12  1  40 o 206.3586 9.818347 1270.485       118.4852 1094.695       166.2710 1451.848       168.8863 189.2921 15.10245 219.1452 13.20172 -29.85309      20.05915 
1 1 1 12  1  41 o 50.37910 20.93482 31.11578       101.9102 55.74553       147.4887 8.612761       140.9772 60.68177 25.19780 54.97032 23.78919 5.711452       34.65335 
1 1 1 12  1  42 o 43.28065 19.37733 -29.73526      101.2384 -48.15347      151.9916 -15.04738      135.7299 51.76609 23.40950 51.58091 22.80243 0.1851883      32.67958 
1 1 1 12  1  43 o 39.82909 18.33888 -59.66141      98.86321 -169.4728      151.1836 22.37839       130.6752 43.63243 20.87124 53.92439 23.11488 -10.29196      31.14332 
1 1 1 12  1  44 o 100.6131 18.65029 328.9532       105.9987 183.1249       153.3638 462.3289       146.6697 75.05151 27.13804 117.6441 22.06831 -42.59258      34.97833 
1 1 1 12  1  45 o 53.31115 21.86016 52.40409       109.1470 -41.41647      153.3881 148.6336       155.3448 51.58421 23.40285 70.21360 26.92467 -18.62939      35.67395 
1 1 1 12  1  46 o 201.0730 10.96925 1228.051       128.8645 1049.828       181.4574 1409.390       183.0367 181.2982 17.27450 212.5201 14.77751 -31.22189      22.73286 
1 1 1 12  1  47 o 39.15667 18.90937 -168.0352      131.0744 -271.8886      181.3127 -54.34358      189.7064 43.47996 21.27471 55.51296 25.50307 -12.03300      33.21174 
1 1 1 12  1  48 o 62.40985 25.57718 94.17457       149.3180 -6.300146      221.4472 177.9413       202.1983 62.04544 28.13726 74.77737 30.08559 -12.73193      41.19281 
1 1 1 12  2  0  o 425.9482 10.10937 5326.950       252.5408 5187.415       423.5475 5403.921       314.5759 419.4796 17.25316 428.6890 12.52560 -9.209442      21.32047 
1 1 1 12  2  1  o 344.3734 9.717058 3484.306       196.0561 3596.592       330.2095 3423.172       243.6502 349.2975 16.16302 341.1462 12.19762 8.151276       20.24908 
1 1 1 12  2  2  o 235.6369 12.77033 1636.047       175.8207 1573.564       234.5301 1716.222       265.6666 230.5867 17.47263 240.6818 18.97439 -10.09506      25.79380 
1 1 1 12  2  3  o 477.4962 18.80839 6722.568       525.6802 6722.568       525.6802 0.000000       0.000000 477.4962 18.80839 ?        ?        0.000000       18.80839 
1 1 1 12  2  4  o 645.1514 22.81676 12287.55       861.9497 12287.55       861.9497 0.000000       0.000000 645.1514 22.81676 ?        ?        0.000000       22.81676 
1 1 1 12  2  5  o 557.3144 20.77188 9160.159       677.7443 9160.159       677.7443 0.000000       0.000000 557.3144 20.77188 ?        ?        0.000000       20.77188 
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 682.7949 18.25262 13724.02       730.2581 13724.02       730.2581 0.000000       0.000000 682.7949 18.25262 ?        ?        0.000000       18.25262 
1 1 1 12  2  10 o 1027.635 17.77997 31062.32       1071.570 30921.05       1504.930 31207.59       1526.151 1023.746 25.06534 1028.419 25.30330 -4.672852      35.61640 
1 1 1 12  2  11 o 214.8832 15.80790 1364.702       197.8229 1333.545       287.6851 1392.650       272.4627 211.3700 23.61000 216.3358 21.77047 -4.965805      32.11519 
1 1 1 12  2  12 o 442.8653 11.18845 5762.433       290.3649 5556.351       404.1775 5982.239       417.4185 434.4365 15.89014 450.8083 15.81256 -16.37186      22.41726 
1 1 1 12  2  13 o 247.3523 14.96131 1805.027       216.0233 1998.785       329.1134 1658.361       286.3394 259.5045 21.82682 236.3423 20.87234 23.16220       30.20041 
1 1 1 12  2  14 o 559.6701 11.70181 9199.677       384.0923 10263.87       616.4601 8524.407       491.0579 590.2723 17.82790 538.1867 15.57422 52.08563       23.67256 
1 1 1 12  2  15 o 241.3687 12.83677 1716.665       181.0600 1803.594       272.8188 1648.239       242.0489 246.7328 18.99995 235.9807 17.61657 10.75217       25.91026 
1 1 1 12  2  16 o 547.1773 10.92665 8793.735       350.6435 8910.912       505.6516 8685.193       486.6628 550.1218 15.68866 543.1596 15.29265 6.962158       21.90888 
1 1 1 12  2  17 o 613.4656 11.67729 11058.73       420.1291 11185.96       607.0211 10941.74       582.0688 616.0709 16.81624 609.3963 16.30100 6.674561       23.42026 
1 1 1 12  2  18 o 130.4873 16.60680 509.6722       124.2127 472.7418       197.0997 534.0020       159.9792 123.7435 27.83512 132.8060 21.25632 -9.062492      35.02320 
1 1 1 12  2  19 o 473.1823 7.573522 6573.115       210.1730 6536.454       295.9548 6610.415       298.5208 471.5941 10.70056 474.2515 10.73286 -2.657318      15.15573 
1 1 1 12  2  20 o 110.7902 16.09573 369.4501       101.5259 303.3979       146.3247 430.7676       140.9829 99.12327 25.13781 118.9089 20.98309 -19.78563      32.74445 
1 1 1 12  2  21 o 233.0322 8.231893 1597.164       112.3268 1567.643       164.4529 1622.980       153.7908 230.4510 12.21139 234.6140 11.20944 -4.162933      16.57618 
1 1 1 12  2  22 o 191.3864 9.053466 1079.077       101.3313 1100.919       143.7584 1057.508       142.8541 192.8814 12.78052 188.9981 12.96654 3.883286       18.20640 
1 1 1 12  2  23 o 509.9442 7.501096 7639.637       224.3354 7627.546       316.9070 7651.781       317.6106 509.0671 10.61467 509.8740 10.62140 -0.8069153     15.01616 
1 1 1 12  2  24 o 51.63314 19.92566 52.18361       85.45742 48.88253       121.3437 55.43206       120.3723 58.05876 23.32483 58.71337 23.35059 -0.6546097     33.00451 
1 1 1 12  2  25 o 430.7359 6.981115 5451.161       176.3544 5465.918       248.1386 5436.100       250.6866 430.9084 9.818810 429.7097 9.947307 1.198761       13.97705 
1 1 1 12  2  26 f 190.5903 8.318961 1070.382       92.76262 1019.868       130.1626 1122.517       132.2343 185.5308 12.02725 194.7427 11.63096 -9.211929      16.73123 
1 1 1 12  2  27 o 344.2915 6.799180 3483.215       137.2882 3280.501       183.1432 3743.248       207.4262 333.6806 9.367834 356.3533 9.934733 -22.67267      13.65486 
1 1 1 12  2  28 o 95.33272 16.52063 277.2681       89.02226 244.9758       128.6764 306.9131       123.2893 88.76236 24.10238 99.38796 21.75643 -10.62560      32.46947 
1 1 1 12  2  29 o 379.9847 7.141628 4243.685       159.1526 4348.012       231.5920 4150.326       219.0804 384.0206 10.29225 375.2471 9.963688 8.773468       14.32499 
1 1 1 12  2  30 o 260.1960 8.604733 1994.034       131.1266 2128.181       192.2381 1877.313       179.3174 268.2210 12.25307 251.8969 12.17410 16.32411       17.27271 
1 1 1 12  2  31 o 135.6886 13.28639 549.4863       104.3770 552.8761       146.3979 545.9816       148.8555 134.8984 19.03277 133.9194 19.52712 0.9790192      27.26820 
1 1 1 12  2  32 o 188.7091 10.11102 1052.847       111.4935 1345.202       173.5221 847.2831       145.5037 212.6406 13.99194 168.3667 14.88888 44.27391       20.43167 
1 1 1 12  2  33 o 229.9822 8.884628 1560.538       119.6097 1432.741       174.8098 1673.038       164.0133 219.4220 13.65186 237.5934 11.80747 -18.17146      18.04964 
1 1 1 12  2  34 o 173.7670 11.03219 896.1648       111.8488 919.8708       171.9522 878.7785       147.2593 174.6509 17.00249 171.2465 14.80794 3.404465       22.54683 
1 1 1 12  2  35 o 147.7103 12.81294 652.1726       109.8999 679.8765       161.3337 628.1874       150.1158 149.2464 18.85173 143.5585 18.24113 5.687897       26.23216 
1 1 1 12  2  36 o 60.02765 22.98045 79.39373       113.0390 63.92493       175.4797 90.36538       147.7864 67.63972 27.72477 66.56049 26.05743 1.079231       38.04803 
1 1 1 12  2  37 o 71.33434 23.01455 154.1695       109.5677 89.42507       162.4710 208.1770       148.3890 68.15903 27.12140 82.23389 26.80290 -14.07486      38.13091 
1 1 1 12  2  38 o 199.3086 10.03663 1181.175       116.9404 1172.461       158.7445 1191.515       172.9207 197.3649 13.80142 198.5260 14.96191 -1.161118      20.35530 
1 1 1 12  2  39 o 57.66671 22.40217 73.70573       108.5574 165.6348       153.1465 -19.13368      153.9029 75.27563 27.13214 55.30843 24.37275 19.96720       36.47169 
1 1 1 12  2  40 o 64.59280 22.88257 121.2986       108.4514 174.6824       160.0912 76.02123       147.4361 76.42759 27.71416 63.17422 25.59271 13.25337       37.72349 
1 1 1 12  2  41 o 56.96703 22.18987 74.21206       106.7340 184.1690       160.4832 -13.00312      142.9270 77.23479 27.78260 53.33517 23.49600 23.89962       36.38592 
1 1 1 12  2  42 o 162.5617 11.66036 799.3237       110.4298 739.0188       150.3749 869.9142       162.6943 153.6984 16.96419 166.9453 16.84704 -13.24684      23.90829 
1 1 1 12  2  43 o 55.83610 21.76439 74.36704       102.7368 190.0731       145.9456 -39.28840      144.6466 76.14422 26.57971 50.82293 22.92350 25.32129       35.09940 
1 1 1 12  2  44 o 54.28397 21.87420 60.28250       107.0662 200.0437       153.9977 -70.47899      148.9570 77.34038 27.27941 49.03632 22.55361 28.30406       35.39536 
1 1 1 12  2  45 o 81.61057 22.39647 228.1787       110.4245 69.08923       160.2559 371.9967       152.3701 61.98734 26.04041 102.6002 25.44684 -40.61289      36.40940 
1 1 1 12  2  46 o 63.68108 23.37122 124.6788       114.3471 62.40592       167.0531 179.5778       156.8510 61.76641 26.29597 73.67229 27.31333 -11.90589      37.91432 
1 1 1 12  2  47 o 89.40163 25.02970 287.2376       136.4064 314.9758       188.8179 256.9589       197.2755 90.61798 30.26547 83.39037 30.68201 7.227608       43.09738 
1 1 1 12  2  48 o 70.94206 27.83768 157.9617       169.0024 8.387134       213.9491 406.1621       275.6022 62.17485 27.97588 97.22308 36.17482 -35.04823      45.73038 
1 1 1 12  3  0  o 365.8062 9.807174 3931.203       210.2100 4112.649       352.7886 3831.319       261.7503 373.5805 16.14008 360.9257 12.38405 12.65482       20.34372 
1 1 1 12  3  1  o 383.6696 10.01267 4324.474       225.1056 4314.916       374.8009 4329.867       281.5407 382.6150 16.74329 383.7100 12.52766 -1.095032      20.91125 
1 1 1 12  3  2  o 60.14042 26.23771 -34.94789      174.3898 -34.94789      174.3898 0.000000       0.000000 60.14042 26.23771 ?        ?        0.000000       26.23771 
1 1 1 12  3  3  o 437.4198 17.80531 5639.096       455.8163 5639.096       455.8163 0.000000       0.000000 437.4198 17.80531 ?        ?        0.000000       17.80531 
1 1 1 12  3  4  o 510.5764 19.43349 7684.999       580.8562 7684.999       580.8562 0.000000       0.000000 510.5764 19.43349 ?        ?        0.000000       19.43349 
1 1 1 12  3  5  o 462.1045 18.62851 6293.462       503.8227 6293.462       503.8227 0.000000       0.000000 462.1045 18.62851 ?        ?        0.000000       18.62851 
1 1 1 12  3  6  o 331.5636 17.70335 3242.450       343.0011 3242.450       343.0011 0.000000       0.000000 331.5636 17.70335 ?        ?        0.000000       17.70335 
1 1 1 12  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  3  9  o 497.5963 15.60441 7284.642       454.8183 7284.642       454.8183 0.000000       0.000000 497.5963 15.60441 ?        ?        0.000000       15.60441 
1 1 1 12  3  10 o 364.5285 15.52466 3912.835       331.1377 3912.835       331.1377 0.000000       0.000000 364.5285 15.52466 ?        ?        0.000000       15.52466 
1 1 1 12  3  11 o 493.1505 11.52804 7141.099       333.4151 6641.851       444.6749 7782.189       503.8995 475.0380 15.98390 514.1580 16.73307 -39.12006      23.14046 
1 1 1 12  3  12 o 378.4796 12.09660 4211.286       268.1626 3928.289       365.4077 4541.591       394.7706 365.0493 17.11538 392.5620 17.18858 -27.51273      24.25661 
1 1 1 12  3  13 o 851.0825 15.38353 21296.02       767.8533 21077.71       1079.684 21519.43       1092.242 845.3226 21.79647 854.1342 21.82217 -8.811646      30.84304 
1 1 1 12  3  14 o 46.15472 22.45436 -343.4914      193.8812 -48.84712      295.3951 -566.4834      256.9798 78.68845 34.24155 49.55006 24.45678 29.13839       42.07870 
1 1 1 12  3  15 o 601.4442 11.84588 10626.15       417.8432 10691.92       603.4117 10565.55       579.1724 602.4899 17.09435 599.0065 16.50212 3.483337       23.75999 
1 1 1 12  3  16 o 217.9584 11.39643 1399.331       145.1716 1537.258       248.8273 1328.156       178.7458 227.6457 18.80511 212.0282 14.46102 15.61743       23.72242 
1 1 1 12  3  17 o 285.1499 10.52283 2391.700       175.6754 2324.728       253.0360 2454.020       244.0904 280.6209 15.43431 288.4548 14.47480 -7.833862      21.15981 
1 1 1 12  3  18 o 293.7337 8.814670 2535.824       151.6766 2111.185       239.7751 2819.101       195.8391 267.3223 15.35856 309.5497 10.80400 -42.22748      18.77796 
1 1 1 12  3  19 o 308.3422 7.891515 2793.293       142.5893 2732.981       201.1398 2854.223       202.1674 304.6882 11.27565 311.4021 11.08748 -6.713898      15.81368 
1 1 1 12  3  20 o 226.7618 9.695814 1513.854       128.6474 1668.528       212.1323 1423.876       161.7957 237.4134 15.31704 219.5975 12.61598 17.81589       19.84375 
1 1 1 12  3  21 o 184.1265 9.627628 999.2764       103.6035 1083.317       150.6404 923.8453       142.7157 191.2776 13.51551 176.5109 13.89841 14.76671       19.38646 
1 1 1 12  3  22 o 934.5781 11.53097 25714.41       632.0216 25976.38       906.2261 25466.32       881.8975 937.3900 16.48412 928.2695 16.19920 9.120422       23.11147 
1 1 1 12  3  23 o 98.43815 17.02406 294.8866       94.72751 273.4750       126.1277 322.5918       143.4719 93.90739 23.07030 101.8876 24.34383 -7.980186      33.53894 
1 1 1 12  3  24 o 229.1307 7.912313 1544.896       106.1659 1638.179       156.5951 1465.549       144.4249 235.5284 11.37023 222.7826 11.08861 12.74577       15.88205 
1 1 1 12  3  25 o 338.1093 6.775437 3358.473       134.3522 3368.254       192.1284 3349.113       187.9462 338.1348 9.698399 337.2013 9.513228 0.9335327      13.58530 
1 1 1 12  3  26 o 142.8272 10.75254 604.5496       89.40706 566.1208       126.4633 642.9508       126.4180 137.2860 16.00675 146.6341 14.90722 -9.348068      21.87330 
1 1 1 12  3  27 o 277.7829 7.211221 2269.569       117.3809 2264.366       165.3416 2274.857       166.6696 277.0477 10.19338 277.6800 10.25198 -0.6323242     14.45711 
1 1 1 12  3  28 o 228.8377 8.217144 1542.261       110.1016 1412.602       145.6607 1715.084       168.1675 218.5465 11.40389 240.7737 11.94650 -22.22719      16.51568 
1 1 1 12  3  29 o 167.2188 14.52744 833.7327       141.0581 838.7580       158.2445 814.2941       311.2275 167.3650 16.32925 159.7655 34.24495 7.599442       37.93891 
1 1 1 12  3  30 o 341.8026 7.782503 3435.237       156.0074 3401.425       218.4923 3470.403       222.8270 339.4822 10.98857 342.8892 11.09521 -3.407013      15.61577 
1 1 1 12  3  31 o 229.5268 8.990498 1553.190       120.7888 1504.469       174.0554 1598.452       167.7608 225.1835 13.23794 232.3040 12.35802 -7.120529      18.10977 
1 1 1 12  3  32 o 136.8170 12.83926 558.4576       101.8183 457.1363       150.0653 644.8912       138.6026 121.6020 21.84497 146.3702 16.42939 -24.76824      27.33364 
1 1 1 12  3  33 o 300.6508 7.645498 2661.636       134.6996 2617.018       188.8013 2707.891       192.2329 297.4960 10.83927 302.6214 10.84878 -5.125397      15.33577 
1 1 1 12  3  34 o 129.9946 14.19181 507.9849       106.4412 372.4604       160.9482 613.3364       141.9049 108.2460 25.73245 142.1877 17.37778 -33.94166      31.05070 
1 1 1 12  3  35 o 81.95247 20.84643 210.9057       100.4154 102.4604       152.0594 294.7694       133.7195 68.76102 26.56764 96.42242 23.79409 -27.66140      35.66508 
1 1 1 12  3  36 o 79.26299 21.72719 197.5295       103.9919 200.2243       153.8492 195.2624       141.1089 81.72650 27.32000 80.21772 26.13655 1.508781       37.80875 
1 1 1 12  3  37 o 56.03244 24.14905 0.2985798      144.0995 -563.4435      380.9103 94.45206       155.6685 64.72531 31.48545 67.78860 26.68165 -3.063293      41.27038 
1 1 1 12  3  38 o 131.3669 13.78158 522.5004       104.5994 558.0742       148.5211 487.4912       147.3377 133.8136 19.49796 124.3497 20.94678 9.463821       28.61709 
1 1 1 12  3  39 o 144.9150 13.26866 635.9277       111.5191 745.6605       164.6196 542.8579       151.6064 154.8400 18.49311 130.9976 20.39729 23.84241       27.53261 
1 1 1 12  3  40 o 304.1189 7.974189 2741.625       142.1037 2659.188       203.0554 2820.752       198.9380 297.6952 11.65284 306.9571 11.06881 -9.261902      16.07194 
1 1 1 12  3  41 o 78.11636 21.57037 199.9684       102.0720 364.7982       150.4727 59.47421       138.9214 104.1260 24.96430 59.81482 24.60917 44.31120       35.05463 
1 1 1 12  3  42 o 90.14878 20.03203 265.7430       103.1605 268.1744       150.6900 263.5984       141.5230 88.34084 26.77360 87.82790 25.78777 0.5129395      37.17304 
1 1 1 12  3  43 o 58.69009 21.94248 94.33896       101.6409 71.75009       152.0970 112.5667       136.6279 62.07033 25.66445 65.00722 25.16560 -2.936890      35.94400 
1 1 1 12  3  44 o 101.1420 17.84625 329.9329       101.9910 431.3546       154.4766 251.5573       135.7963 112.1455 24.19822 85.02574 25.33704 27.11973       35.03597 
1 1 1 12  3  45 o 133.9753 14.25125 559.1391       110.2606 322.7045       163.4592 756.5380       149.3572 94.14579 27.73355 154.3989 16.76289 -60.25312      32.40593 
1 1 1 12  3  46 o 236.3376 9.662911 1682.712       133.6517 1661.612       193.4213 1701.991       184.8911 231.1998 14.33534 234.7621 13.48555 -3.562256      19.68152 
1 1 1 12  3  47 o 39.29266 18.73122 -123.7644      119.5921 -109.8626      155.4420 -143.9296      187.2119 46.88827 22.05290 50.06466 23.74270 -3.176388      32.40442 
1 1 1 12  3  48 o 174.5189 19.28271 1001.634       194.0735 1073.622       213.7510 663.7626       463.0768 179.2918 20.70825 109.5946 44.99281 69.69716       49.52964 
1 1 1 12  4  0  o 500.6728 10.99173 7360.651       322.7531 7407.283       553.3670 7336.609       397.3371 501.2477 18.85756 499.4937 13.57630 1.753998       23.23625 
1 1 1 12  4  1  o 466.7957 10.68172 6397.638       292.4276 6199.633       486.9143 6509.348       365.7311 458.6192 18.13874 470.5074 13.26718 -11.88828      22.47292 
1 1 1 12  4  2  o 660.2493 16.33091 12819.59       632.3663 12784.84       887.9123 12855.36       900.8297 658.0305 23.04328 659.7913 23.31680 -1.760803      32.78210 
1 1 1 12  4  3  o 68.18065 27.48037 61.01502       169.0220 61.01502       169.0220 0.000000       0.000000 68.18065 27.48037 ?        ?        0.000000       27.48037 
1 1 1 12  4  4  o 483.4041 18.65996 6886.381       528.0259 6886.381       528.0259 0.000000       0.000000 483.4041 18.65996 ?        ?        0.000000       18.65996 
1 1 1 12  4  5  o 535.6357 19.90778 8456.946       624.2902 8456.946       624.2902 0.000000       0.000000 535.6357 19.90778 ?        ?        0.000000       19.90778 
1 1 1 12  4  6  o 159.0973 24.98662 764.3571       225.4669 764.3571       225.4669 0.000000       0.000000 159.0973 24.98662 ?        ?        0.000000       24.98662 
1 1 1 12  4  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  4  8  o 151.4463 29.09226 700.3926       249.0077 700.3926       249.0077 0.000000       0.000000 151.4463 29.09226 ?        ?        0.000000       29.09226 
1 1 1 12  4  9  o 66.25494 29.76093 -114.8865      240.9687 -114.8865      240.9687 0.000000       0.000000 66.25494 29.76093 ?        ?        0.000000       29.76093 
1 1 1 12  4  10 o 629.8765 17.71808 11679.56       653.8690 11679.56       653.8690 0.000000       0.000000 629.8765 17.71808 ?        ?        0.000000       17.71808 
1 1 1 12  4  11 o 374.5456 11.85653 4123.732       260.1150 3602.597       345.3645 4806.840       395.4097 349.5903 16.89489 403.9495 16.72670 -54.35913      23.77436 
1 1 1 12  4  12 o 566.5672 12.22192 9427.911       406.1079 9034.541       554.8751 9881.708       595.9712 553.9382 17.10030 579.2882 17.56232 -25.34998      24.51235 
1 1 1 12  4  13 o 309.4395 13.10559 2818.278       237.3002 2903.836       351.1330 2746.352       321.9494 313.4559 19.19250 304.9422 18.08315 8.513763       26.36954 
1 1 1 12  4  14 o 517.1232 11.56901 7854.233       350.8656 7616.044       503.2304 8079.560       489.4540 508.4832 16.89832 523.8710 15.94936 -15.38773      23.23650 
1 1 1 12  4  15 o 234.5811 13.35511 1622.526       182.9756 1561.832       268.6311 1675.058       249.9145 229.3155 20.17998 237.8325 18.05201 -8.516998      27.07594 
1 1 1 12  4  16 o 448.4605 10.14566 5906.117       266.8426 6080.510       398.6245 5764.519       359.1931 454.3989 14.97856 442.5583 13.85614 11.84058       20.40466 
1 1 1 12  4  17 o 261.5383 9.628212 2011.530       147.4312 2236.018       259.4406 1904.462       179.1725 275.0916 16.15197 254.2633 12.04966 20.82829       20.15143 
1 1 1 12  4  18 o 648.8243 10.02284 12367.32       381.3892 11655.67       608.6656 12827.35       489.3734 628.6731 16.52266 660.4231 12.63478 -31.75000      20.79990 
1 1 1 12  4  19 f 614.1823 9.661666 11082.98       348.0165 11565.75       623.3003 10864.30       419.4946 625.9230 16.99527 607.8086 11.76817 18.11438       20.67194 
1 1 1 12  4  20 o 530.5006 7.733568 8264.293       240.6115 8205.610       339.5186 8323.503       341.0384 528.2382 10.95931 532.0233 10.93005 -3.785156      15.47813 
1 1 1 12  4  21 o 463.1262 7.284662 6298.553       197.8606 6259.763       279.9243 6337.284       279.7100 461.3625 10.34541 464.2197 10.27386 -2.857208      14.58012 
1 1 1 12  4  22 o 190.2404 9.639429 1066.997       107.1980 1090.251       148.9537 1042.013       154.3945 191.8452 13.32158 187.4088 14.15182 4.436417       19.43550 
1 1 1 12  4  23 o 60.99886 20.68727 102.8963       88.20417 83.92676       131.2625 118.5138       119.1014 64.28584 24.72466 67.48982 23.97281 -3.203987      34.43841 
1 1 1 12  4  24 o 157.0368 10.01769 728.7670       91.78027 728.3910       137.7167 729.0674       123.1030 156.2108 15.22528 156.5719 13.53906 -0.3611298     20.37438 
1 1 1 12  4  25 o 142.5112 10.67100 601.6428       88.53996 726.9061       131.9212 498.9669       119.4364 156.1023 14.57829 128.7778 16.16969 27.32449       21.77121 
1 1 1 12  4  26 o 263.1427 7.285742 2036.768       112.3305 2103.411       165.1708 1979.420       153.2200 266.9671 10.57022 259.0389 10.10495 7.928253       14.62325 
1 1 1 12  4  27 o 279.7595 7.165063 2301.881       117.4621 2412.553       170.6409 2202.216       161.9338 285.9806 10.19039 273.2243 10.12323 12.75623       14.36398 
1 1 1 12  4  28 o 124.5645 14.00755 464.6570       100.5594 502.6392       141.5963 426.0064       142.8366 128.4713 19.39663 117.5716 21.50739 10.89964       28.96199 
1 1 1 12  4  29 o 391.2419 9.291442 4505.923       213.1960 4538.830       249.9688 4418.106       408.3508 392.2407 10.87682 384.9288 18.13952 7.311920       21.15059 
1 1 1 12  4  30 o 262.8282 8.424398 2034.252       129.6881 2059.213       181.3254 2008.110       185.5613 263.9141 11.74451 260.5321 12.17808 3.381958       16.91860 
1 1 1 12  4  31 o 208.5368 9.427581 1283.303       115.0029 1218.521       169.3198 1338.782       156.6908 202.3439 14.36146 212.4830 12.63087 -10.13907      19.12565 
1 1 1 12  4  32 o 450.7345 7.419543 5975.194       196.1320 6154.171       284.0075 5812.017       271.1818 456.7299 10.60278 443.8986 10.41661 12.83133       14.86354 
1 1 1 12  4  33 o 103.1246 17.59514 326.1379       102.6003 436.8018       160.5113 249.6835       133.4148 118.0098 24.00993 89.21467 24.67073 28.79514       34.42559 
1 1 1 12  4  34 o 224.9976 8.871162 1494.780       116.8307 1617.919       168.6043 1381.046       162.0383 233.3541 12.36389 215.4216 12.88448 17.93248       17.85709 
1 1 1 12  4  35 f 149.1734 11.79677 663.2830       102.3665 761.4193       157.1620 590.9702       134.9088 158.5399 17.17685 139.5547 16.82226 18.98528       24.04231 
1 1 1 12  4  36 f 161.6002 11.29535 777.5591       106.3772 746.8440       156.1547 804.1562       145.3103 156.7802 17.26863 163.3286 15.34986 -6.548386      23.10462 
1 1 1 12  4  37 f 157.8823 12.00321 745.2191       110.3099 822.3568       155.6447 667.3695       156.3613 164.6059 16.33813 147.4069 18.49266 17.19901       24.67616 
1 1 1 12  4  38 o 67.22998 25.53069 111.7900       138.8041 36.24033       379.9361 123.4267       149.1113 87.21371 38.36861 69.90461 26.48119 17.30910       46.61978 
1 1 1 12  4  39 o 33.64387 16.35323 -167.9058      102.2160 -100.3764      155.4120 -219.3882      135.6962 49.42675 22.84193 38.66608 18.80524 10.76067       29.58700 
1 1 1 12  4  40 o 194.5620 9.972180 1130.783       113.4090 1103.342       164.3818 1155.709       156.6654 190.0726 14.86447 195.0938 13.78108 -5.021179      20.26994 
1 1 1 12  4  41 f 65.38428 22.48294 130.0198       104.2508 259.9285       152.8126 16.91998       142.5841 87.65942 27.03811 55.96623 24.07004 31.69318       36.19981 
1 1 1 12  4  42 o 166.0307 11.03594 831.4697       106.8504 704.7566       152.2980 954.3024       149.9479 149.5513 17.70729 176.1131 14.65026 -26.56186      22.98213 
1 1 1 12  4  43 o 84.12480 20.69198 235.1754       101.3713 348.5237       149.1307 137.8165       138.2125 100.3205 25.34286 68.41766 25.58572 31.90285       36.01236 
1 1 1 12  4  44 o 40.96767 18.84885 -58.87517      104.1609 -72.21101      152.2860 -47.15156      142.7843 49.46296 22.76962 49.61025 22.53574 -0.1472931     32.03615 
1 1 1 12  4  45 o 136.6682 14.28193 581.9368       112.7856 535.3796       172.0963 616.9873       149.3228 124.3930 24.46199 137.8178 18.97769 -13.42483      30.96033 
1 1 1 12  4  46 o 68.96046 23.73034 158.0467       116.1467 216.3313       173.6010 110.8159       156.2744 78.75677 28.81426 65.44360 26.40727 13.31318       39.08460 
1 1 1 12  4  47 o 123.3282 16.96799 490.4241       119.4785 425.1804       161.9974 568.2448       176.9237 108.4735 25.83561 127.0096 24.64110 -18.53609      35.70242 
1 1 1 12  4  48 o 75.57892 26.07660 202.1027       140.2811 214.4709       193.3893 188.3679       203.7943 78.12902 30.02052 75.81552 30.30636 2.313499       42.65803 
1 1 1 12  5  0  o 286.4281 11.37402 2412.820       190.6847 2505.576       265.0442 2313.296       274.5445 291.5262 15.55843 279.9546 16.79875 11.57162       22.89679 
1 1 1 12  5  1  o 641.3768 15.94178 12094.58       599.6536 11870.51       829.5343 12339.83       867.8383 634.2181 22.33694 646.5405 22.92347 -12.32245      32.00663 
1 1 1 12  5  2  o 253.5260 12.19989 1892.012       180.8642 1917.807       235.9204 1855.238       281.6821 254.9204 15.85867 250.3158 19.33742 4.604630       25.00866 
1 1 1 12  5  3  o 272.1186 12.34271 2179.135       196.4658 2034.686       247.5384 2425.008       322.9549 262.5800 16.15241 286.3931 19.34120 -23.81317      25.19886 
1 1 1 12  5  4  o 523.7183 19.57020 8083.968       600.0384 8083.968       600.0384 0.000000       0.000000 523.7183 19.57020 ?        ?        0.000000       19.57020 
1 1 1 12  5  5  o 636.1376 22.48538 11938.28       837.5646 11938.28       837.5646 0.000000       0.000000 636.1376 22.48538 ?        ?        0.000000       22.48538 
1 1 1 12  5  6  o 140.9062 26.77690 605.3082       213.1921 605.3082       213.1921 0.000000       0.000000 140.9062 26.77690 ?        ?        0.000000       26.77690 
1 1 1 12  5  7  o 374.9223 17.39350 4142.578       381.4115 4142.578       381.4115 0.000000       0.000000 374.9223 17.39350 ?        ?        0.000000       17.39350 
1 1 1 12  5  8  o 464.2943 15.73244 6343.551       427.7719 6343.551       427.7719 0.000000       0.000000 464.2943 15.73244 ?        ?        0.000000       15.73244 
1 1 1 12  5  9  o 432.6663 15.39537 5509.136       390.0326 5509.136       390.0326 0.000000       0.000000 432.6663 15.39537 ?        ?        0.000000       15.39537 
1 1 1 12  5  10 o 504.6663 16.30313 7496.276       481.8986 7496.276       481.8986 0.000000       0.000000 504.6663 16.30313 ?        ?        0.000000       16.30313 
1 1 1 12  5  11 f 631.1694 12.78764 11701.86       473.3550 10951.61       625.3828 12708.26       724.3099 609.8973 17.50201 656.8300 18.82214 -46.93262      25.70201 
1 1 1 12  5  12 o 998.6382 17.56813 29342.53       1028.926 28599.22       1410.138 30188.88       1504.705 984.3674 24.42608 1010.777 25.40328 -26.40912      35.24146 
1 1 1 12  5  13 o 725.8662 13.68267 15483.54       582.4758 15233.53       815.9851 15743.28       831.7310 718.9480 19.37002 730.8767 19.42108 -11.92871      27.42947 
1 1 1 12  5  14 o 131.9878 25.46459 532.0498       189.9737 914.4890       296.0743 264.4094       247.6826 173.1911 30.24927 99.49634 34.63273 73.69481       45.98309 
1 1 1 12  5  15 o 442.2443 14.42182 5756.898       373.5525 0.000000       0.000000 5756.898       373.5525 ?        ?        442.2443 14.42182 0.000000       14.42182 
1 1 1 12  5  16 o 240.7652 11.68058 1707.248       164.4413 2017.841       254.6223 1485.009       215.3822 261.2561 16.70556 223.9861 16.51208 37.26994       23.48882 
1 1 1 12  5  17 o 420.1802 8.512568 5183.489       209.7716 5100.242       352.4014 5229.175       261.0624 416.0651 14.46395 421.7576 10.56265 -5.692505      17.91020 
1 1 1 12  5  18 o 107.3399 20.83432 352.0791       126.4258 396.2910       221.2924 330.6566       154.0394 113.5656 31.91088 103.5247 25.53291 10.04099       40.86849 
1 1 1 12  5  19 o 356.3892 8.242425 3729.948       172.2781 3709.373       289.8701 3741.185       214.2170 354.6508 13.96373 356.6372 10.25245 -1.986359      17.32335 
1 1 1 12  5  20 o 86.82464 21.18999 232.3168       106.9368 290.5346       186.5221 203.8112       130.5171 98.12368 29.79733 82.41689 24.90418 15.70679       38.83425 
1 1 1 12  5  21 o 172.0682 10.99150 874.6411       110.3396 890.8564       155.0078 857.9849       157.1010 173.0519 15.43491 169.7169 15.97124 3.334961       22.21074 
1 1 1 12  5  22 o 444.6827 7.933274 5810.093       206.8965 6259.812       375.8046 5614.501       247.8376 460.4145 13.93358 436.9231 9.671898 23.49142       16.96143 
1 1 1 12  5  23 o 320.0282 6.854496 3008.200       128.6514 3102.410       192.8960 2932.719       172.6620 324.5286 10.14737 315.6306 9.337808 8.898071       13.78999 
1 1 1 12  5  24 o 96.61490 15.82926 283.3245       86.58904 279.6624       133.1011 286.0116       114.0135 94.81663 23.93644 96.17609 20.81821 -1.359467      31.72304 
1 1 1 12  5  25 o 51.26325 19.89560 50.11226       85.56084 151.8127       131.3809 -24.78651      112.7478 73.79190 25.24373 47.86359 20.98404 25.92831       32.82645 
1 1 1 12  5  26 o 212.9508 8.928791 1336.782       111.2648 1202.332       174.4532 1428.976       144.4605 200.9688 14.90745 219.8551 11.24103 -18.88635      18.67064 
1 1 1 12  5  27 o 266.2352 7.502861 2085.473       117.0333 2074.242       169.0188 2095.817       162.2113 265.0263 10.89740 266.4867 10.39895 -1.460358      15.06291 
1 1 1 12  5  28 o 317.5012 7.294745 2963.170       135.8332 3005.352       197.7208 2925.467       186.9276 319.1580 10.57783 314.9627 10.13280 4.195343       14.64801 
1 1 1 12  5  29 o ?        ?        -434.0791      106.1691 -494.7287      155.4951 -381.1123      145.3130 33.59693 16.93884 34.93113 17.43283 -1.334198      24.30695 
1 1 1 12  5  30 o 315.6971 10.54430 2940.653       194.9526 2984.071       222.8417 2799.031       402.4644 317.7385 11.97994 304.5981 22.69245 13.14032       25.66060 
1 1 1 12  5  31 o 46.67006 20.27779 -14.30164      103.2666 -11.34344      150.1834 -16.95456      142.2234 56.87154 24.58275 54.80814 23.80561 2.063408       34.22015 
1 1 1 12  5  32 o 309.4225 7.635203 2816.524       138.5552 2809.869       202.3316 2822.400       190.1305 308.2893 11.20929 309.1302 10.50246 -0.8409424     15.36066 
1 1 1 12  5  33 o 247.6534 8.865971 1809.667       128.5641 1901.278       187.0732 1727.674       176.9805 253.0555 12.64513 241.2186 12.55339 11.83691       17.81816 
1 1 1 12  5  34 o 57.95009 21.83372 76.97638       101.0500 195.4488       150.4954 -20.28648      136.3604 81.16479 27.01808 53.01962 23.16473 28.14517       35.58907 
1 1 1 12  5  35 o 128.0396 13.33693 492.2373       98.68374 497.4085       143.7902 487.6328       135.6823 126.9473 19.97224 125.9722 18.95189 0.9751053      27.53297 
1 1 1 12  5  36 o 199.9181 9.534233 1183.692       111.4641 1131.210       162.4178 1230.416       153.2496 194.2065 14.36161 203.0021 12.93942 -8.795639      19.33092 
1 1 1 12  5  37 o 65.64558 23.06813 120.7172       110.0458 146.3628       167.5760 101.2720       145.9185 75.23514 28.16513 67.22763 26.01204 8.007507       38.33928 
1 1 1 12  5  38 o 221.3890 9.437393 1455.545       122.2534 1453.211       179.7159 1457.555       166.7916 219.5559 14.03038 220.3223 12.96550 -0.7663727     19.10381 
1 1 1 12  5  39 o 216.8804 9.677806 1400.895       122.7870 1361.018       179.2620 1436.140       168.5287 211.7380 14.52370 218.1505 13.23473 -6.412552      19.64932 
1 1 1 12  5  40 o 65.31770 22.34185 129.0241       102.9106 54.53161       145.2637 204.0810       145.8130 60.41117 25.03931 79.57069 26.59687 -19.15952      36.52890 
1 1 1 12  5  41 o 123.7278 15.02847 473.1008       106.8182 424.2471       146.1563 529.1151       156.5013 113.5048 22.74901 127.6827 21.67360 -14.17789      31.42073 
1 1 1 12  5  42 o 40.38678 18.75994 -77.00346      106.8600 185.1453       157.2445 -301.9636      145.6647 76.34766 27.49608 36.76755 18.19608 39.58012       32.97168 
1 1 1 12  5  43 o 202.9549 9.804687 1236.388       116.3582 1301.292       166.9095 1175.022       162.2981 205.8636 13.90615 195.3508 14.26433 10.51277       19.92115 
1 1 1 12  5  44 o 33.82284 16.45391 -163.8371      104.0636 -389.2644      151.8493 35.78720       142.8948 34.76496 17.41961 56.75967 24.24703 -21.99471      29.85568 
1 1 1 12  5  45 o 155.5593 12.96354 745.2971       117.1947 759.9479       171.3194 732.4112       160.6695 152.6108 19.59273 150.5288 18.59456 2.081940       27.01171 
1 1 1 12  5  46 o 78.27464 22.78732 212.2196       110.9186 198.7856       170.4352 222.0897       146.0892 76.47183 28.44872 79.17886 26.62403 -2.707031      38.96368 
1 1 1 12  5  47 f 88.13445 22.66114 271.7091       117.7801 339.6129       161.9441 195.4593       171.6081 95.45175 27.45898 75.53509 28.45437 19.91666       39.54297 
1 1 1 12  5  48 o 61.62805 24.74456 99.02254       136.4821 -42.07958      193.9448 237.4502       192.0980 56.53889 25.90455 80.59310 30.15870 -24.05421      39.75667 
1 1 1 12  6  0  o 806.8625 19.15991 19161.19       906.6579 19078.52       1272.457 19246.45       1292.186 803.2072 27.05111 806.6622 27.35342 -3.454956      38.47041 
1 1 1 12  6  1  o 533.9797 13.88211 8382.914       434.3725 8221.753       598.4288 8562.378       631.4951 528.1719 19.35181 538.9225 20.01466 -10.75067      27.84024 
1 1 1 12  6  2  o 551.3867 14.31308 8939.137       462.4584 8831.331       638.8698 9057.809       670.2910 547.3612 19.93489 554.2391 20.65743 -6.877869      28.70765 
1 1 1 12  6  3  o 694.0054 16.94534 14162.56       689.7053 13933.20       955.3719 14412.21       996.7230 687.0502 23.74580 698.6544 24.36277 -11.60419      34.02069 
1 1 1 12  6  4  o 405.3483 16.68389 4839.019       395.7738 4839.019       395.7738 0.000000       0.000000 405.3483 16.68389 ?        ?        0.000000       16.68389 
1 1 1 12  6  5  o 286.6299 16.39769 2423.119       274.4977 2423.119       274.4977 0.000000       0.000000 286.6299 16.39769 ?        ?        0.000000       16.39769 
1 1 1 12  6  6  f 601.9559 21.57091 10685.93       760.2928 10685.93       760.2928 0.000000       0.000000 601.9559 21.57091 ?        ?        0.000000       21.57091 
1 1 1 12  6  7  o 632.1316 22.48108 11789.00       832.1148 11789.00       832.1148 0.000000       0.000000 632.1316 22.48108 ?        ?        0.000000       22.48108 
1 1 1 12  6  8  o 190.7418 17.41946 1078.871       192.7154 1078.871       192.7154 0.000000       0.000000 190.7418 17.41946 ?        ?        0.000000       17.41946 
1 1 1 12  6  9  o 627.0625 17.62539 11575.36       647.5439 11575.36       647.5439 0.000000       0.000000 627.0625 17.62539 ?        ?        0.000000       17.62539 
1 1 1 12  6  10 o 251.6011 22.71474 1881.118       331.5684 1881.118       331.5684 0.000000       0.000000 251.6011 22.71474 ?        ?        0.000000       22.71474 
1 1 1 12  6  11 o 498.6173 12.09401 7301.878       353.6617 7164.957       484.8687 7457.535       516.9807 493.2808 16.78466 503.1672 17.54594 -9.886383      24.28136 
1 1 1 12  6  12 o 389.3674 12.84548 4458.752       292.9311 4344.916       427.3383 4559.652       402.3264 383.6807 19.05074 393.2667 17.48753 -9.586029      25.86009 
1 1 1 12  6  13 o 575.7664 16.90060 9762.352       570.0707 0.000000       0.000000 9762.352       570.0707 ?        ?        575.7664 16.90060 0.000000       16.90060 
1 1 1 12  6  14 o 535.8375 15.76975 8453.251       495.0347 0.000000       0.000000 8453.251       495.0347 ?        ?        535.8375 15.76975 0.000000       15.76975 
1 1 1 12  6  15 o 358.5299 10.52633 3778.387       221.0968 3822.829       331.8321 3742.905       296.4990 360.1063 15.75030 356.4914 14.21002 3.614899       21.21312 
1 1 1 12  6  16 o 464.7457 10.27568 6344.035       280.0763 6382.731       411.4640 6310.626       382.3156 465.4769 15.09238 462.9727 14.09686 2.504181       20.65191 
1 1 1 12  6  17 o 384.0384 8.679250 4330.599       195.4823 4061.428       321.0435 4489.196       246.4322 371.1529 14.77847 390.7203 10.76453 -19.56741      18.28328 
1 1 1 12  6  18 o 241.1561 9.466928 1711.022       133.6329 1552.165       226.3130 1796.060       165.5812 228.7946 16.98724 246.8989 11.46645 -18.10431      20.49502 
1 1 1 12  6  19 o 237.8946 9.791683 1665.912       136.3211 1629.609       230.7853 1685.366       168.9436 234.3927 16.90207 239.0440 12.08998 -4.651306      20.78094 
1 1 1 12  6  20 o 369.0092 9.075761 4001.376       196.4132 4251.901       304.4420 3822.752       257.0689 379.6328 13.69628 360.1710 12.18755 19.46176       18.33370 
1 1 1 12  6  21 o 426.8768 7.127806 5351.381       178.4469 5152.741       248.4308 5563.111       256.4859 418.5660 10.12024 434.9225 10.05544 -16.35651      14.26644 
1 1 1 12  6  22 o 173.7449 10.11898 891.1351       102.6634 849.5475       185.0147 909.6371       123.4052 168.1745 19.09608 175.3009 12.07705 -7.126419      22.59459 
1 1 1 12  6  23 o 154.0015 10.38666 701.2724       93.26172 689.1968       145.3624 709.7205       121.5841 151.6817 16.61200 154.4842 13.55697 -2.802490      21.44178 
1 1 1 12  6  24 o 214.0021 8.019855 1348.196       100.4768 1389.963       151.5408 1315.429       134.2217 216.7854 11.96566 211.0338 10.88151 5.751617       16.17357 
1 1 1 12  6  25 o 295.6321 9.175404 2574.523       158.8917 2572.865       181.5854 2579.943       328.2359 295.3298 10.50061 293.7263 19.15885 1.603577       21.84776 
1 1 1 12  6  26 o 336.2894 6.856244 3323.243       135.2228 3339.643       198.6650 3309.086       184.5788 336.5589 10.07625 335.1320 9.400363 1.426880       13.78034 
1 1 1 12  6  27 o 258.3042 7.652050 1963.458       115.7926 1939.844       167.8380 1984.906       159.9570 256.2282 11.19599 259.3033 10.54025 -3.075043      15.37684 
1 1 1 12  6  28 o 185.1851 9.914613 1012.934       107.2868 1179.150       155.8723 863.2974       147.8947 199.2790 13.41512 170.0834 14.97946 29.19563       20.10845 
1 1 1 12  6  29 o 265.7970 8.560562 2080.588       133.2711 2078.842       190.8382 2082.251       186.1953 265.0807 12.30904 265.3571 11.99532 -0.2764893     17.18720 
1 1 1 12  6  30 o 242.1411 9.184589 1728.487       130.1939 1979.949       194.2127 1523.250       175.4566 258.5485 12.84836 226.6177 13.25949 31.93074       18.46333 
1 1 1 12  6  31 o 247.1310 11.45184 1806.602       165.5278 1712.146       188.6311 2122.900       345.1819 240.1716 13.44554 264.8317 22.43517 -24.66008      26.15568 
1 1 1 12  6  32 o 281.7822 8.010041 2338.602       132.2385 2282.021       195.1681 2386.624       179.8024 277.5878 12.01678 284.1546 10.80893 -6.566803      16.16279 
1 1 1 12  6  33 o 168.4967 10.98912 842.5014       108.0012 641.7620       163.5103 997.8607       143.8459 144.8943 19.75573 182.9154 13.50423 -38.02107      23.93017 
1 1 1 12  6  34 o 302.9128 7.818954 2704.092       138.7885 2673.303       197.7010 2734.008       194.8826 300.3861 11.24205 303.8605 10.95366 -3.474365      15.69606 
1 1 1 12  6  35 o 254.1676 8.334298 1906.480       124.0658 1895.333       182.7294 1916.014       168.9865 252.4578 12.37928 254.1107 11.36788 -1.652954      16.80700 
1 1 1 12  6  36 o 126.3129 14.83490 482.9842       107.8040 446.7571       169.5052 507.5904       139.6976 118.1840 25.22377 128.2571 19.15831 -10.07308      31.67459 
1 1 1 12  6  37 o 39.22825 18.38236 -100.3848      106.3000 -280.9847      160.5199 40.67610       141.8644 41.30548 20.16925 59.56792 24.72203 -18.26244      31.90576 
1 1 1 12  6  38 o 40.40177 18.66161 -74.26066      103.5402 -159.2376      154.0741 -4.281950      139.8177 45.74816 21.64943 54.30671 23.59548 -8.558544      32.02256 
1 1 1 12  6  39 o 37.10516 17.60412 -114.8433      103.1294 -272.5200      155.8016 8.117721       137.5852 40.31831 19.72636 54.72227 23.59074 -14.40397      30.75146 
1 1 1 12  6  40 o 227.1265 8.991394 1535.570       119.5326 1490.731       172.6207 1576.876       165.6820 221.8155 13.33089 228.6450 12.40201 -6.829437      18.20776 
1 1 1 12  6  41 o 209.5838 9.674719 1312.916       118.5969 1102.850       171.3384 1506.134       164.3241 189.1897 15.58007 223.0592 12.61257 -33.86952      20.04533 
1 1 1 12  6  42 o 77.09673 22.18463 197.9662       105.6929 242.9658       156.1071 159.8790       143.6175 84.20498 27.49414 72.05350 26.23178 12.15148       38.00045 
1 1 1 12  6  43 o 79.28349 22.42709 211.8493       108.9274 329.3309       164.2008 119.5156       145.5696 96.22372 27.63987 66.61428 25.92372 29.60944       37.89461 
1 1 1 12  6  44 o 220.9102 9.414390 1464.820       121.6918 1469.034       169.4433 1460.331       174.8821 218.7679 13.26897 217.7492 13.76469 1.018646       19.11890 
1 1 1 12  6  45 o 93.58250 22.12133 299.6623       119.4807 315.5631       175.5049 285.9269       163.1168 92.22067 29.05922 88.50623 28.03118 3.714439       40.37555 
1 1 1 12  6  46 o 51.96541 22.02704 34.04152       116.3435 -92.98555      178.8442 127.2376       153.1882 51.80558 24.13340 66.94371 26.43145 -15.13813      35.79166 
1 1 1 12  6  47 o 41.81301 19.60406 -89.16369      121.1740 25.58085       186.8640 -172.4258      159.1781 60.45635 26.73917 44.05592 21.16394 16.40043       34.10125 
1 1 1 12  6  48 o 43.34153 20.36172 -96.26557      131.8602 -277.7382      194.1914 58.99004       179.6173 45.05394 22.03902 62.09258 26.86180 -17.03864      34.74586 
1 1 1 12  7  0  o 261.0771 11.09447 2004.727       169.4864 1987.520       218.7383 2030.577       268.1061 259.6842 14.41907 262.1774 17.53742 -2.493225      22.70398 
1 1 1 12  7  1  o 293.4168 11.20718 2531.316       192.5008 2479.257       256.2563 2598.744       291.6371 290.0605 15.11599 296.8181 16.82222 -6.757690      22.61593 
1 1 1 12  7  2  o 780.0797 18.61747 17903.59       851.7462 17716.52       1188.527 18101.10       1221.241 774.3008 26.21050 782.5684 26.64788 -8.267639      37.37780 
1 1 1 12  7  3  o 771.7254 18.48984 17521.06       836.8478 17127.48       1156.767 17953.22       1212.137 761.3776 25.94359 779.3968 26.55690 -18.01917      37.12599 
1 1 1 12  7  4  o 713.3849 17.38833 14966.22       727.4991 14300.01       982.3832 15775.25       1082.577 696.0001 24.10333 730.8182 25.29614 -34.81812      34.94088 
1 1 1 12  7  5  o 193.6717 19.43636 1114.837       217.7847 1114.837       217.7847 0.000000       0.000000 193.6717 19.43636 ?        ?        0.000000       19.43636 
1 1 1 12  7  6  o 513.7744 19.31478 7779.105       580.9500 7779.105       580.9500 0.000000       0.000000 513.7744 19.31478 ?        ?        0.000000       19.31478 
1 1 1 12  7  7  o 166.9562 19.04675 830.8243       183.1658 830.8243       183.1658 0.000000       0.000000 166.9562 19.04675 ?        ?        0.000000       19.04675 
1 1 1 12  7  8  o 432.8571 12.30626 5507.035       312.0903 5507.035       312.0903 0.000000       0.000000 432.8571 12.30626 ?        ?        0.000000       12.30626 
1 1 1 12  7  9  o 564.2802 13.55410 9354.730       448.5554 9354.730       448.5554 0.000000       0.000000 564.2802 13.55410 ?        ?        0.000000       13.55410 
1 1 1 12  7  10 o 120.8223 40.79911 407.5618       343.0539 407.5618       343.0539 0.000000       0.000000 120.8223 40.79911 ?        ?        0.000000       40.79911 
1 1 1 12  7  11 o 893.7764 22.93950 23576.39       1201.446 23576.39       1201.446 0.000000       0.000000 893.7764 22.93950 ?        ?        0.000000       22.93950 
1 1 1 12  7  12 o 569.7557 12.31600 9535.939       411.5372 9341.653       579.9230 9733.035       584.1025 563.1363 17.58080 574.8575 17.34504 -11.72119      24.69686 
1 1 1 12  7  13 o 204.3811 17.02116 1237.702       202.1732 1509.151       301.7364 1016.552       272.3490 224.9440 23.20455 183.6502 26.01343 41.29381       34.85900 
1 1 1 12  7  14 o 793.5571 14.33752 18516.05       667.2719 19929.73       1038.877 17523.26       870.5981 821.6170 21.57844 771.1564 19.24973 50.46063       28.91680 
1 1 1 12  7  15 o 172.7011 22.30117 895.2268       220.6098 0.000000       0.000000 895.2268       220.6098 ?        ?        172.7011 22.30117 0.000000       22.30117 
1 1 1 12  7  16 o 353.0851 9.941995 3664.643       205.6700 4310.161       333.1251 3267.021       261.4495 382.3996 14.88228 333.0209 13.41391 49.37863       20.03535 
1 1 1 12  7  17 o 296.5331 10.06541 2586.325       174.7934 2330.770       254.3077 2815.164       240.6480 280.8792 15.49801 309.0496 13.30830 -28.17038      20.42790 
1 1 1 12  7  18 o 61.14072 23.21620 78.60374       114.7720 -121.9240      203.4988 172.1431       138.9863 59.03853 26.85192 78.09373 25.96356 -19.05520      37.35147 
1 1 1 12  7  19 o 84.85787 22.06276 221.4833       110.8070 344.0321       190.3967 158.7170       136.2599 105.7014 29.56316 75.74155 25.71213 29.95989       39.18027 
1 1 1 12  7  20 o 495.8444 8.492586 7223.570       246.9653 7162.406       420.1077 7255.869       305.2869 492.6074 14.55747 496.7007 10.48004 -4.093384      17.93742 
1 1 1 12  7  21 o 266.0955 8.150143 2082.450       127.0401 2077.562       224.2207 2084.761       154.1743 264.9443 14.48525 266.0578 9.897906 -1.113464      17.54397 
1 1 1 12  7  22 o 408.3817 6.994627 4898.568       167.5257 4885.039       239.5806 4911.512       234.3404 407.4636 10.02565 408.5997 9.779095 -1.136108      14.00515 
1 1 1 12  7  23 o 265.7279 7.234776 2076.121       112.6441 2221.833       177.1586 1977.231       145.9455 274.4274 11.02986 259.0488 9.623082 15.37857       14.63767 
1 1 1 12  7  24 o 310.3062 6.917671 2829.061       125.8928 2940.229       190.4804 2742.837       167.7555 315.8074 10.29813 305.1503 9.384883 10.65710       13.93297 
1 1 1 12  7  25 o 181.0699 9.169186 967.3809       97.05357 955.8396       148.1658 976.0544       128.4458 179.2097 14.21364 181.4641 12.13902 -2.254333      18.69180 
1 1 1 12  7  26 o 54.17197 20.13044 68.13974       85.29268 69.64023       135.5387 67.15597       109.7473 62.93307 24.85777 58.28245 22.55667 4.650623       33.56652 
1 1 1 12  7  27 o 54.37750 20.94302 59.47993       94.27241 163.0220       139.5204 -27.50726      127.8813 76.16174 26.01499 50.91920 22.33512 25.24254       34.28757 
1 1 1 12  7  28 o 397.6222 7.437990 4647.739       173.4509 4687.878       248.2462 4609.452       242.4499 398.6810 10.62659 395.3640 10.46541 3.317047       14.91473 
1 1 1 12  7  29 o 264.4380 8.690763 2059.689       134.5990 2065.552       193.9165 2054.238       186.9767 264.1798 12.55187 263.5338 12.13017 0.6460266      17.45539 
1 1 1 12  7  30 o 323.1948 7.783204 3071.779       147.5276 3234.805       216.7711 2931.121       201.3522 330.9727 11.18363 315.0892 10.91260 15.88351       15.62557 
1 1 1 12  7  31 o 348.1722 7.385623 3564.877       150.8106 3456.452       214.8518 3670.183       211.7389 342.1342 10.72083 352.6678 10.24814 -10.53357      14.83107 
1 1 1 12  7  32 o 352.4584 9.725430 3665.516       200.8407 3572.801       225.4184 4022.492       442.3179 347.6502 11.07007 365.3052 20.73072 -17.65500      23.50126 
1 1 1 12  7  33 o 218.3965 9.218971 1408.984       117.8150 1369.501       188.6541 1434.227       150.8472 213.9834 15.13021 219.8505 11.74188 -5.867096      19.15189 
1 1 1 12  7  34 o 74.28455 22.20428 170.0703       104.1681 531.8481       162.7763 -80.84813      135.5615 130.8047 21.99858 47.72026 21.78575 83.08444       30.96056 
1 1 1 12  7  35 o 68.86571 22.25536 141.5818       102.4310 80.56094       165.8557 179.2075       130.2367 68.04250 27.29225 77.13637 25.10788 -9.093864      37.08467 
1 1 1 12  7  36 o 280.1742 8.138695 2317.546       133.5897 2410.355       201.0791 2244.215       178.7369 284.5862 12.07510 274.8983 11.10932 9.687927       16.40808 
1 1 1 12  7  37 o 86.61012 20.64381 238.6920       103.3696 146.7509       154.5847 313.0547       139.0237 73.74887 27.15568 98.40210 24.24884 -24.65323      36.40656 
1 1 1 12  7  38 o 139.1882 13.06269 585.5852       105.3854 654.6808       157.2977 529.3110       141.9553 144.9802 18.95299 130.0518 19.18727 14.92845       26.96974 
1 1 1 12  7  39 o 147.0095 12.41025 652.9873       105.9997 738.4056       156.7008 580.9292       143.9253 154.1814 17.64719 136.1751 18.49935 18.00626       25.56656 
1 1 1 12  7  40 o 176.3625 10.54846 932.5519       108.6067 856.8257       160.6081 996.3553       147.4235 166.3053 16.69233 180.8316 14.01007 -14.52638      21.79256 
1 1 1 12  7  41 o 48.59212 20.55591 19.30721       100.9837 129.8866       155.2488 -61.79297      132.9542 69.63883 26.86131 47.27142 21.57869 22.36741       34.45533 
1 1 1 12  7  42 o 194.4022 13.52524 1156.294       153.2427 1625.401       424.7002 1086.077       164.3119 207.3178 36.24887 187.4442 15.07373 19.87369       39.25809 
1 1 1 12  7  43 o 152.8346 12.68274 714.5367       112.6576 844.5348       170.1130 612.9839       150.3541 162.9086 18.11080 137.9521 19.09534 24.95650       26.31793 
1 1 1 12  7  44 o 91.18526 21.94739 282.3827       115.9475 557.2205       177.7630 78.87418       152.9658 127.0511 24.74693 62.27566 25.74238 64.77548       35.70827 
1 1 1 12  7  45 f 49.32546 21.27063 15.55918       111.9195 98.39134       171.4359 -45.96455      147.7486 65.74728 27.22182 50.12113 22.82870 15.62616       35.52713 
1 1 1 12  7  46 f 49.61698 21.55210 11.94120       116.5852 -161.7616      189.1091 118.4353       148.0716 49.61174 23.62346 65.43825 25.93912 -15.82651      35.08427 
1 1 1 12  7  47 o 278.8683 9.316794 2342.524       152.1619 2133.354       233.2495 2497.488       200.7647 260.2790 15.34841 285.4651 12.01868 -25.18610      19.49416 
1 1 1 12  7  48 o 44.04317 20.30435 -58.14363      121.7229 -159.3743      177.1756 32.34842       167.5148 47.48001 22.67967 58.41111 25.59380 -10.93110      34.19664 
1 1 1 12  8  0  o 258.7966 10.79621 1969.589       163.5028 2065.573       215.3607 1838.986       251.2135 264.7960 13.91656 249.4762 17.27644 15.31981       22.18436 
1 1 1 12  8  1  f 211.8574 12.09841 1322.278       149.6970 1356.747       187.5873 1261.836       248.4014 214.3463 15.01736 205.9726 20.85022 8.373734       25.69538 
1 1 1 12  8  2  o 174.0989 13.43763 895.6227       136.1436 896.9602       168.1473 893.0770       231.9757 173.8701 16.69468 172.4929 23.54482 1.377197       28.86297 
1 1 1 12  8  3  o 490.7771 13.26193 7080.048       381.3672 6977.302       520.1857 7199.451       560.7672 486.6743 18.25745 494.2295 19.38413 -7.555237      26.62854 
1 1 1 12  8  4  o 689.7880 16.84780 13990.69       681.5681 13955.43       954.7449 14027.33       973.2883 687.5967 23.71119 689.2908 24.11337 -1.694092      33.81827 
1 1 1 12  8  5  o 871.5179 29.20102 22482.10       1490.428 22482.10       1490.428 0.000000       0.000000 871.5179 29.20102 ?        ?        0.000000       29.20102 
1 1 1 12  8  6  o 417.1365 17.39676 5126.510       424.6614 5126.510       424.6614 0.000000       0.000000 417.1365 17.39676 ?        ?        0.000000       17.39676 
1 1 1 12  8  7  o 650.9724 23.16530 12509.17       882.9949 12509.17       882.9949 0.000000       0.000000 650.9724 23.16530 ?        ?        0.000000       23.16530 
1 1 1 12  8  8  o 480.5352 12.83815 6787.620       361.4840 6787.620       361.4840 0.000000       0.000000 480.5352 12.83815 ?        ?        0.000000       12.83815 
1 1 1 12  8  9  o 625.9879 14.58125 11516.76       535.3173 11516.76       535.3173 0.000000       0.000000 625.9879 14.58125 ?        ?        0.000000       14.58125 
1 1 1 12  8  10 o 641.5443 14.66556 12097.58       551.7925 12097.58       551.7925 0.000000       0.000000 641.5443 14.66556 ?        ?        0.000000       14.66556 
1 1 1 12  8  11 o 471.1518 17.26276 6540.391       476.1970 6540.391       476.1970 0.000000       0.000000 471.1518 17.26276 ?        ?        0.000000       17.26276 
1 1 1 12  8  12 o 776.5105 14.30503 17725.24       651.4582 18853.91       998.2485 16887.96       859.7820 799.3665 21.31228 756.9214 19.38405 42.44501       28.80894 
1 1 1 12  8  13 f 339.5722 16.25382 3400.475       322.7568 0.000000       0.000000 3400.475       322.7568 ?        ?        339.5722 16.25382 0.000000       16.25382 
1 1 1 12  8  14 o 1151.367 19.75068 39085.21       1333.664 37366.88       1769.491 41345.08       2029.251 1123.185 26.86252 1180.336 29.31430 -57.15137      39.76083 
1 1 1 12  8  15 o 657.4973 12.35049 12707.15       476.2430 14526.95       786.2164 11652.43       598.5491 701.5750 19.12594 628.8643 16.24262 72.71069       25.09232 
1 1 1 12  8  16 o 511.8584 8.910723 7693.608       267.4935 7335.359       437.5880 7907.346       337.9978 498.9397 14.97126 518.7179 11.11046 -19.77817      18.64353 
1 1 1 12  8  17 o 122.8836 17.86363 454.7211       124.9726 478.4297       221.5788 443.6609       151.3410 124.1696 30.62207 120.5584 22.22325 3.611275       37.83628 
1 1 1 12  8  18 o 102.8000 19.55319 322.6842       113.5791 360.0176       194.9648 303.5051       139.7405 108.0695 29.79976 99.14748 24.23863 8.922058       38.41272 
1 1 1 12  8  19 o 61.80679 22.56448 92.28633       106.3752 -21.29653      195.4779 140.0730       126.7928 64.69427 28.00499 71.88810 24.79178 -7.193825      37.40202 
1 1 1 12  8  20 o 202.7373 9.876574 1211.454       117.0797 1065.743       217.4445 1270.945       138.9394 188.5615 19.96574 207.4877 11.46234 -18.92624      23.02208 
1 1 1 12  8  21 o 382.0854 7.735705 4289.128       173.3448 4450.549       305.6822 4212.615       210.4552 388.2341 13.44565 378.3621 9.491712 9.871979       16.45838 
1 1 1 12  8  22 o 570.9623 11.73668 9605.562       393.0096 9320.964       508.4539 10027.96       619.4331 561.2443 15.46191 581.1542 18.19651 -19.90985      23.87852 
1 1 1 12  8  23 o 206.1741 8.309584 1251.784       100.2705 1266.209       160.8570 1242.617       128.2328 206.6769 13.34209 205.1316 10.69594 1.545303       17.10013 
1 1 1 12  8  24 o 232.2355 7.688235 1587.175       104.5699 1712.345       162.7664 1499.201       136.4564 240.7020 11.56397 225.3695 10.35166 15.33250       15.52038 
1 1 1 12  8  25 o 498.6091 7.338030 7307.568       214.5805 7442.491       311.6914 7186.009       295.8530 502.5493 10.57537 493.8956 10.21387 8.653717       14.70244 
1 1 1 12  8  26 o 526.7572 7.651452 8158.288       236.3768 8236.876       339.3287 8084.203       329.4640 528.5524 10.94667 523.6875 10.72717 4.864868       15.32651 
1 1 1 12  8  27 o 134.5552 12.59219 539.3043       98.21504 556.8441       152.2822 526.8121       128.5165 135.2569 19.78220 132.1326 16.97611 3.124283       26.06768 
1 1 1 12  8  28 o 72.55187 22.49813 157.6093       105.6389 9.582208       161.0193 269.4701       139.9736 60.89268 25.86639 92.97835 25.09199 -32.08566      36.03717 
1 1 1 12  8  29 o 300.2548 8.155807 2653.579       143.4845 2737.753       220.1375 2591.404       189.1949 304.2497 12.36285 296.2748 10.90702 7.974884       16.48646 
1 1 1 12  8  30 o 363.8828 7.492057 3893.347       159.8870 3798.271       228.0410 3985.276       224.2358 358.7175 10.85199 367.5447 10.41315 -8.827148      15.03993 
1 1 1 12  8  31 o 95.14236 18.51783 279.1519       99.60825 410.2103       159.0671 194.6077       127.7585 114.4120 24.44801 80.06489 24.72714 34.34715       34.77265 
1 1 1 12  8  32 o 58.32152 21.89001 78.24522       101.3609 -28.12354      160.1225 149.3696       130.9346 57.06795 25.01351 72.96767 25.19215 -15.89972      35.50099 
1 1 1 12  8  33 o 317.9893 11.94468 2997.945       222.3642 3009.861       257.5332 2963.033       440.8021 318.0276 13.84073 310.8311 24.37555 7.196503       28.03093 
1 1 1 12  8  34 o 122.5156 14.69774 453.2368       103.5012 456.8220       162.1711 450.7729       134.4430 120.4241 23.80606 120.8580 19.64136 -0.4338379     30.86279 
1 1 1 12  8  35 o 294.5914 8.005229 2559.954       138.1789 2552.808       206.0730 2565.792       186.2552 293.1002 12.01368 294.2136 10.81271 -1.113434      16.16302 
1 1 1 12  8  36 o 54.29967 21.93937 45.16518       108.0243 121.7755       182.7876 4.047363       133.9116 74.22665 29.00246 54.51481 23.38426 19.71184       37.25542 
1 1 1 12  8  37 o 101.2961 17.91715 320.0795       102.5484 447.2488       168.4250 245.1621       129.2726 117.3924 25.21590 87.15246 24.35421 30.23999       35.05666 
1 1 1 12  8  38 o 180.4989 10.84001 974.1804       114.2218 794.5815       179.8579 1095.573       147.8681 159.4092 19.65395 190.5400 13.31619 -31.13077      23.74023 
1 1 1 12  8  39 o 50.05444 20.89508 26.60997       102.1978 75.46810       164.0006 -4.407520      130.6713 65.32446 26.79220 52.15106 22.73275 13.17340       35.13687 
1 1 1 12  8  40 o 50.63219 20.63590 40.76258       96.53623 49.63019       146.6043 33.97416       128.2708 59.91925 25.02069 55.39523 23.28578 4.524017       34.17986 
1 1 1 12  8  41 o 206.3518 9.264066 1271.817       111.8283 1188.210       170.6763 1334.707       148.0287 196.6131 14.91288 210.0858 12.06505 -13.47272      19.18227 
1 1 1 12  8  42 f 89.46389 19.64538 262.5507       100.2482 110.2617       156.2854 369.0141       130.6726 66.77373 26.59029 105.3120 21.87295 -38.53826      34.43064 
1 1 1 12  8  43 o 112.9611 22.16637 427.2624       141.6033 802.5682       410.1002 376.4597       150.8832 131.4393 44.60674 104.1650 25.01415 27.27436       51.14165 
1 1 1 12  8  44 o 162.7255 12.68024 812.5384       120.0588 742.2776       187.1579 861.6675       156.5024 149.1087 22.06744 165.2290 16.36521 -16.12030      27.47348 
1 1 1 12  8  45 o 81.30074 23.32209 230.1895       116.9812 322.9091       189.2215 172.8287       148.8307 92.34248 30.27730 72.47066 26.65224 19.87183       40.33679 
1 1 1 12  8  46 o 56.20752 22.66820 72.03933       115.0846 -258.4034      186.3188 275.8815       146.3375 44.83633 21.85740 87.05428 26.38420 -42.21795      34.26181 
1 1 1 12  8  47 o 115.4040 19.41208 442.8553       126.7254 482.3061       216.0237 422.1557       156.4788 109.9002 31.74438 108.4367 25.10164 1.463539       40.46972 
1 1 1 12  8  48 o 118.3419 20.05035 471.0226       134.1957 628.9254       208.0854 358.5879       175.5887 129.5349 28.19310 96.36211 28.83403 33.17277       40.32682 
1 1 1 12  9  0  o 406.7018 11.83910 4861.057       282.0869 4896.238       382.8055 4819.253       417.2829 407.7984 16.03724 404.4037 17.63642 3.394775       23.83771 
1 1 1 12  9  1  o 314.1493 10.99738 2900.903       202.3045 2804.651       259.8942 3048.898       322.2667 308.6190 14.39866 321.5360 17.15179 -12.91696      22.39432 
1 1 1 12  9  2  o 594.4769 14.97932 10392.33       521.8329 10567.16       734.4791 10214.13       741.5381 598.6593 20.95170 588.4727 21.52230 10.18658       30.03636 
1 1 1 12  9  3  o 611.7281 15.36840 11005.61       550.9263 10726.68       753.7125 11325.62       807.3000 603.0964 21.34291 619.5740 22.25344 -16.47760      30.83400 
1 1 1 12  9  4  f 763.8850 18.40570 17168.47       824.5762 17171.30       1155.681 17165.53       1176.861 762.2717 25.88860 762.0327 26.37279 0.2390747      36.95596 
1 1 1 12  9  5  o 566.7118 20.77403 9471.019       689.2837 9471.019       689.2837 0.000000       0.000000 566.7118 20.77403 ?        ?        0.000000       20.77403 
1 1 1 12  9  6  o 727.9827 15.45986 15578.34       660.0505 15578.34       660.0505 0.000000       0.000000 727.9827 15.45986 ?        ?        0.000000       15.45986 
1 1 1 12  9  7  o 378.4711 12.96059 4212.612       287.2545 4212.612       287.2545 0.000000       0.000000 378.4711 12.96059 ?        ?        0.000000       12.96059 
1 1 1 12  9  8  o 524.4276 13.45501 8085.620       413.4863 8085.620       413.4863 0.000000       0.000000 524.4276 13.45501 ?        ?        0.000000       13.45501 
1 1 1 12  9  9  o 304.9522 15.19590 2740.658       270.9183 2740.658       270.9183 0.000000       0.000000 304.9522 15.19590 ?        ?        0.000000       15.19590 
1 1 1 12  9  10 o 625.8691 14.26592 11513.34       523.6411 11513.34       523.6411 0.000000       0.000000 625.8691 14.26592 ?        ?        0.000000       14.26592 
1 1 1 12  9  11 o 512.5598 13.35367 7725.640       401.0751 7725.640       401.0751 0.000000       0.000000 512.5598 13.35367 ?        ?        0.000000       13.35367 
1 1 1 12  9  12 o 878.4081 22.09827 22780.92       1137.523 0.000000       0.000000 22780.92       1137.523 ?        ?        878.4081 22.09827 0.000000       22.09827 
1 1 1 12  9  13 o 521.8320 15.48039 8018.200       473.2414 0.000000       0.000000 8018.200       473.2414 ?        ?        521.8320 15.48039 0.000000       15.48039 
1 1 1 12  9  14 o 348.5560 14.45431 3579.937       294.8336 0.000000       0.000000 3579.937       294.8336 ?        ?        348.5560 14.45431 0.000000       14.45431 
1 1 1 12  9  15 o 351.2639 13.79060 3635.392       283.5452 0.000000       0.000000 3635.392       283.5452 ?        ?        351.2639 13.79060 0.000000       13.79060 
1 1 1 12  9  16 o 406.0364 13.34637 4855.987       317.3864 0.000000       0.000000 4855.987       317.3864 ?        ?        406.0364 13.34637 0.000000       13.34637 
1 1 1 12  9  17 o 361.1204 8.288164 3829.612       175.5338 3573.902       281.3336 3992.615       224.6182 348.1379 13.80645 368.4259 10.40590 -20.28796      17.28874 
1 1 1 12  9  18 o 283.9862 8.629457 2371.268       143.5579 2305.357       248.7162 2404.197       175.7982 279.2091 15.24668 285.7693 10.50724 -6.560211      18.51657 
1 1 1 12  9  19 o 337.7383 7.957185 3350.559       157.6124 3447.256       272.4627 3301.928       193.2232 341.7520 13.62123 334.9844 9.845905 6.767670       16.80713 
1 1 1 12  9  20 o 247.4531 8.479072 1801.573       122.8711 2013.126       228.3935 1715.406       145.7618 260.7097 15.00077 241.2591 10.32559 19.45055       18.21101 
1 1 1 12  9  21 o 268.8566 8.499882 2126.868       133.8561 2264.340       245.0724 2068.421       159.7973 276.4126 15.17594 264.9201 10.30465 11.49246       18.34380 
1 1 1 12  9  22 o 365.0570 7.887569 3916.754       168.8707 4072.261       301.1712 3845.442       203.9477 371.1040 13.86217 361.3908 9.631157 9.713196       16.87954 
1 1 1 12  9  23 o 257.8829 8.122458 1957.183       122.6926 2251.955       231.7031 1842.323       144.6346 275.6227 14.38374 249.9740 9.885162 25.64865       17.45304 
1 1 1 12  9  24 o 256.9706 7.470161 1942.652       112.4612 1813.274       165.5928 2053.413       153.2157 247.7132 11.42914 263.8802 9.917896 -16.16698      15.13241 
1 1 1 12  9  25 o 390.0106 6.819339 4469.763       155.9801 4491.361       226.5780 4450.306       215.0515 390.3744 9.904597 388.7892 9.431434 1.585205       13.67673 
1 1 1 12  9  26 o 92.79577 16.83491 263.4130       88.24671 181.6476       146.5174 309.9593       110.5470 79.50587 26.66234 100.3020 19.49505 -20.79610      33.02935 
1 1 1 12  9  27 o 256.6474 8.023635 1939.021       120.6215 1871.157       182.7911 1991.365       160.5365 251.4243 12.43503 259.7259 10.56124 -8.301559      16.31470 
1 1 1 12  9  28 o 333.8026 7.853288 3276.429       153.7417 3155.146       226.6425 3379.808       209.2453 326.7811 11.84549 338.4896 10.55336 -11.70856      15.86471 
1 1 1 12  9  29 o 491.0445 7.978929 7091.523       229.7820 7024.670       324.4483 7158.800       325.4756 487.9950 11.33652 492.6502 11.26495 -4.655182      15.98173 
1 1 1 12  9  30 o 131.3063 14.08713 516.2677       106.7881 529.8719       172.8597 507.8713       135.8012 130.8227 23.38849 129.2801 18.43249 1.542633       29.77882 
1 1 1 12  9  31 o 204.2234 9.320412 1231.423       111.3384 1169.842       172.1666 1275.689       145.9691 197.9719 14.93864 207.3999 12.05249 -9.428009      19.19441 
1 1 1 12  9  32 o 315.0294 7.914848 2923.569       146.1168 2992.688       218.0289 2867.215       196.8683 317.8737 11.71527 311.3635 10.79730 6.510223       15.93202 
1 1 1 12  9  33 o 541.1133 8.151726 8626.014       258.6951 8449.006       355.7543 8824.644       376.8574 534.3734 11.35154 545.9401 11.77014 -11.56677      16.35217 
1 1 1 12  9  34 o 224.5937 15.39719 1512.353       201.5832 1549.794       229.5009 1385.932       421.7141 226.6906 17.39528 205.1444 36.38378 21.54616       40.32834 
1 1 1 12  9  35 o 115.2570 17.41277 407.7290       114.0358 343.3474       177.4269 453.0431       148.8521 103.0221 28.43564 120.2097 21.92117 -17.18761      35.90437 
1 1 1 12  9  36 o 78.12986 22.18546 192.8750       106.3868 99.51169       165.2705 258.9344       139.0192 69.53997 27.45480 89.81693 25.31190 -20.27695      37.34245 
1 1 1 12  9  37 o 183.3693 10.10057 1001.037       108.2038 959.3199       167.3480 1031.007       141.8421 177.3892 16.26673 185.1491 13.14824 -7.759933      20.91609 
1 1 1 12  9  38 o 128.9507 13.92357 506.4951       103.6315 630.8975       168.3480 430.5919       131.4994 141.0320 20.99245 116.5095 19.96255 24.52245       28.96872 
1 1 1 12  9  39 o 103.2194 17.19820 334.8735       100.4492 560.9227       165.7589 203.6847       126.2768 131.7082 22.25102 79.03000 24.61245 52.67819       33.17953 
1 1 1 12  9  40 o 70.51151 22.04945 159.7427       101.2369 224.5731       166.3807 121.6300       127.5699 82.78549 28.40526 66.13999 24.61114 16.64550       37.58413 
1 1 1 12  9  41 o 146.2773 12.92720 652.8834       109.7598 583.2873       175.0609 697.9630       140.8921 132.6183 23.36097 149.6040 16.32251 -16.98573      28.49841 
1 1 1 12  9  42 o 52.32549 21.67692 41.24689       108.7929 259.4190       174.5717 -97.29121      139.1102 86.19736 29.10426 45.57114 21.24755 40.62623       36.03493 
1 1 1 12  9  43 o 213.5179 9.877604 1370.635       123.3554 1405.439       183.8909 1342.161       166.3297 212.9945 14.81344 208.9688 13.64647 4.025681       20.14111 
1 1 1 12  9  44 o 76.94064 25.50386 204.0948       134.1329 143.0715       369.3443 213.3659       143.9620 83.26334 37.16348 78.40096 26.42977 4.862373       45.60325 
1 1 1 12  9  45 o 169.6590 12.54377 884.9691       123.9290 1136.927       202.4850 734.0562       156.7081 187.4001 18.67173 150.7545 18.08495 36.64561       25.99420 
1 1 1 12  9  46 o 73.16786 24.57409 185.2826       124.4610 30.71261       203.6801 277.3915       157.2305 62.85468 27.85233 86.62679 27.53101 -23.77210      39.16260 
1 1 1 12  9  47 o 205.5056 11.60497 1292.897       139.2996 1142.308       212.5336 1406.305       184.4389 185.8811 19.80025 211.4543 14.96931 -25.57324      24.82197 
1 1 1 12  10 0  o 587.2338 14.77492 10140.61       508.4424 10378.65       718.0472 9901.246       720.0492 593.2986 20.66773 579.3884 21.22641 13.91016       29.62627 
1 1 1 12  10 1  f 683.8169 16.67204 13750.23       668.6193 13530.75       921.5901 13994.14       971.5260 677.0574 23.24375 688.3989 24.10095 -11.34143      33.48325 
1 1 1 12  10 2  o 851.1603 20.12931 21331.09       1004.826 21023.06       1394.803 21663.44       1448.812 842.8696 28.25637 855.4409 28.91987 -12.57129      40.43243 
1 1 1 12  10 3  o 437.8318 12.61435 5635.008       323.5711 5908.125       447.5417 5335.883       468.3657 447.8795 17.06936 425.3967 18.81988 22.48282       25.40769 
1 1 1 12  10 4  o 643.5006 16.12460 12182.76       608.0598 11892.82       830.5533 12517.68       892.6539 634.8316 22.34272 651.1158 23.41434 -16.28418      32.36401 
1 1 1 12  10 5  o 175.3064 17.37930 912.8065       176.3323 822.1929       214.4715 1101.834       309.7678 165.4875 22.69525 190.9942 28.52753 -25.50667      36.45401 
1 1 1 12  10 6  o 216.6579 20.24236 1394.330       254.2318 1394.330       254.2318 0.000000       0.000000 216.6579 20.24236 ?        ?        0.000000       20.24236 
1 1 1 12  10 7  o 355.5739 13.51069 3720.135       281.2335 3720.135       281.2335 0.000000       0.000000 355.5739 13.51069 ?        ?        0.000000       13.51069 
1 1 1 12  10 8  o 509.4711 13.42477 7631.871       400.7730 7631.871       400.7730 0.000000       0.000000 509.4711 13.42477 ?        ?        0.000000       13.42477 
1 1 1 12  10 9  o 407.3043 13.21896 4879.668       315.3488 4879.668       315.3488 0.000000       0.000000 407.3043 13.21896 ?        ?        0.000000       13.21896 
1 1 1 12  10 10 o 142.0870 24.94067 613.6088       200.2550 613.6088       200.2550 0.000000       0.000000 142.0870 24.94067 ?        ?        0.000000       24.94067 
1 1 1 12  10 11 o 418.4178 12.36387 5148.257       303.0669 5148.257       303.0669 0.000000       0.000000 418.4178 12.36387 ?        ?        0.000000       12.36387 
1 1 1 12  10 12 o 313.2145 9.871171 2883.398       181.1001 3152.704       238.3111 2515.300       278.6140 327.3160 12.43705 291.8988 16.34019 35.41721       20.53490 
1 1 1 12  10 13 o 710.9336 18.47422 14906.04       769.6220 0.000000       0.000000 14906.04       769.6220 ?        ?        710.9336 18.47422 0.000000       18.47422 
1 1 1 12  10 14 o 596.5515 9.717671 10451.89       339.9857 10258.25       563.7086 10562.61       426.2352 589.9412 16.30843 599.4422 12.12415 -9.500977      20.32142 
1 1 1 12  10 15 o 49.65987 23.50880 -214.3156      181.9774 0.000000       0.000000 -214.3156      181.9774 ?        ?        49.65987 23.50880 0.000000       23.50880 
1 1 1 12  10 16 o 140.1071 21.17810 593.5841       168.5940 0.000000       0.000000 593.5841       168.5940 ?        ?        140.1071 21.17810 0.000000       21.17810 
1 1 1 12  10 17 f 493.7482 8.549674 7160.661       247.5743 7072.817       413.0772 7209.903       309.2771 489.7563 14.39701 495.2164 10.64884 -5.460083      17.90731 
1 1 1 12  10 18 o 432.3023 8.179875 5489.584       207.3886 5473.216       349.6271 5498.470       257.6010 430.7494 13.85784 432.4517 10.15686 -1.702301      17.18143 
1 1 1 12  10 19 o 336.9299 10.97895 3343.919       216.6559 3364.280       275.3682 3310.835       351.0158 337.4922 13.94234 333.9965 17.98619 3.495758       22.75724 
1 1 1 12  10 20 o 250.8361 8.478414 1851.366       124.5462 1989.752       243.0147 1802.069       145.0431 258.9311 16.08225 247.3006 10.02125 11.63049       18.94899 
1 1 1 12  10 21 o 71.68448 21.56460 154.6346       98.01772 19.91911       208.6151 192.7995       111.0372 69.92229 29.56045 79.40025 22.70434 -9.477959      37.27341 
1 1 1 12  10 22 o 180.6736 9.952971 963.7025       105.0550 840.2277       207.5440 1006.238       121.8133 166.4427 21.78386 184.4517 11.31505 -18.00902      24.54724 
1 1 1 12  10 23 o 157.9830 10.47609 738.4135       96.51618 634.6127       188.3554 775.3727       112.3931 143.8336 23.11161 161.6975 11.93598 -17.86382      26.01181 
1 1 1 12  10 24 o 200.2916 8.933509 1182.835       104.6745 970.5405       191.3339 1273.512       125.0470 179.6909 18.41606 207.6601 10.29976 -27.96916      21.10062 
1 1 1 12  10 25 o 85.88712 16.88205 226.4986       82.00301 127.2703       143.1415 274.9737       100.0478 71.47405 26.16223 94.49121 18.71582 -23.01716      32.16744 
1 1 1 12  10 26 o 452.8843 7.342929 6029.290       195.0325 5872.292       271.9815 6195.469       279.8209 446.3986 10.38882 458.5140 10.40584 -12.11539      14.70405 
1 1 1 12  10 27 o 156.2179 11.73646 724.0459       106.7410 829.9445       199.5018 681.5719       126.3465 165.3408 21.05052 151.0793 14.43492 14.26158       25.52433 
1 1 1 12  10 28 o 252.7162 8.703042 1881.393       128.7971 1863.739       200.0910 1893.883       168.2997 250.6878 13.66118 253.1477 11.36496 -2.459854      17.77048 
1 1 1 12  10 29 o 201.1056 10.12042 1194.694       118.9803 1011.481       187.7347 1317.684       153.8161 183.5620 17.65612 210.8382 12.49552 -27.27618      21.63045 
1 1 1 12  10 30 o 104.2320 16.98402 331.3343       100.2510 219.2920       173.9264 387.0792       122.6810 86.64021 29.04929 112.2993 19.32414 -25.65906      34.88959 
1 1 1 12  10 31 o 248.6345 8.514597 1822.482       123.9752 1808.446       195.8163 1831.873       160.1635 246.6610 13.58873 248.8327 11.00222 -2.171768      17.48435 
1 1 1 12  10 32 o 44.47789 19.61262 -25.63301      99.80733 66.03477       170.4718 -73.44407      123.1142 67.50391 27.45588 45.61758 20.80113 21.88632       34.44579 
1 1 1 12  10 33 o 238.1390 8.984138 1674.974       125.2501 1562.075       188.0512 1764.989       167.9149 228.7570 14.08517 243.8434 11.77643 -15.08636      18.35964 
1 1 1 12  10 34 o 140.1641 14.14790 590.7086       114.7097 338.2129       175.5101 778.9958       151.5603 102.5522 28.27215 160.5563 16.32228 -58.00406      32.64553 
1 1 1 12  10 35 o 210.4853 11.12083 1316.957       136.7935 1273.427       258.7626 1333.840       161.1529 203.0020 22.09040 211.2944 13.06864 -8.292343      25.66661 
1 1 1 12  10 36 o 133.5277 14.02311 539.0026       108.1794 297.9285       175.8379 685.8183       137.2219 95.75454 28.90040 150.2229 15.81215 -54.46835      32.94324 
1 1 1 12  10 37 o 108.0881 16.39475 361.4091       100.6709 200.7713       168.2438 451.0009       125.6462 81.30668 28.52680 120.2493 18.40052 -38.94265      33.94639 
1 1 1 12  10 38 o 65.86680 21.87842 132.6112       98.69571 158.6866       150.7979 113.0718       130.5377 73.87234 26.88169 65.81260 24.81146 8.059738       36.58187 
1 1 1 12  10 39 o 39.04279 18.00330 -64.07771      95.77621 -173.8220      149.3278 12.61853       124.8351 43.55178 20.80818 52.62133 22.57506 -9.069546      30.70201 
1 1 1 12  10 40 o 139.8187 12.67898 594.5431       102.8389 367.1998       160.3060 753.5378       134.0603 103.6058 26.33133 156.5843 14.77288 -52.97849      30.19233 
1 1 1 12  10 41 o 62.97200 21.88721 120.9164       98.90581 21.67449       156.1908 187.3508       127.7922 58.00892 25.07198 75.40772 24.88978 -17.39880      35.32853 
1 1 1 12  10 42 f 97.35141 19.56844 310.1888       107.8457 284.3826       174.2751 326.2041       137.2905 89.45472 29.03896 97.54341 24.13274 -8.088692      37.75779 
1 1 1 12  10 43 o 140.9410 14.26229 616.6371       116.2694 501.1730       187.2498 689.0895       148.3284 118.4586 27.48518 147.0649 17.54298 -28.60631      32.60662 
1 1 1 12  10 44 o 157.2000 13.60725 764.8353       124.2167 839.3830       200.3002 718.2481       158.3425 158.2805 22.18602 149.0816 18.50742 9.198837       28.89194 
1 1 1 12  10 45 o 89.65936 22.66247 278.8815       119.2054 242.0120       189.9086 302.8534       153.1304 82.03617 30.11715 91.08252 26.84617 -9.046349      40.34550 
1 1 1 12  10 46 o 91.40770 23.81895 296.4862       128.9577 188.1454       212.5976 359.5545       162.2065 76.40000 30.81041 98.40749 27.19897 -22.00748      41.09824 
1 1 1 12  10 47 o 72.35311 25.29757 181.2711       132.2367 156.2470       229.5517 193.6999       161.7765 74.18614 31.16558 74.75130 27.73410 -0.5651550     41.71898 
1 1 1 12  11 0  o 1094.605 25.31091 35369.22       1624.859 35653.24       2305.385 35088.86       2290.483 1094.737 35.95612 1086.004 36.01189 8.732300       50.88909 
1 1 1 12  11 1  o 335.0880 11.60089 3301.154       227.6382 3331.170       292.3724 3254.948       362.7509 336.3320 14.85905 332.0406 18.70365 4.291443       23.88761 
1 1 1 12  11 2  o 189.8527 13.38183 1064.161       148.0443 963.5081       174.4531 1323.181       279.8549 180.2388 16.69330 210.6033 23.03292 -30.36450      28.44612 
1 1 1 12  11 3  o 482.0450 18.13178 6847.137       511.6862 6847.137       511.6862 0.000000       0.000000 482.0450 18.13178 ?        ?        0.000000       18.13178 
1 1 1 12  11 4  f 374.1517 12.50536 4116.454       274.0210 3919.072       345.6175 4450.527       449.6395 364.7116 16.19872 388.2668 19.81170 -23.55515      25.59105 
1 1 1 12  11 5  o 341.7112 11.38412 3432.637       227.8255 3482.969       274.2381 3320.523       409.2917 344.0256 13.61901 335.0676 20.93269 8.958038       24.97308 
1 1 1 12  11 6  o 58.11983 25.98727 -78.33562      181.4541 -78.33562      181.4541 0.000000       0.000000 58.11983 25.98727 ?        ?        0.000000       25.98727 
1 1 1 12  11 7  o 477.2980 19.13828 6718.883       534.6402 6718.883       534.6402 0.000000       0.000000 477.2980 19.13828 ?        ?        0.000000       19.13828 
1 1 1 12  11 8  o 791.0270 16.76084 18409.40       777.5668 18409.40       777.5668 0.000000       0.000000 791.0270 16.76084 ?        ?        0.000000       16.76084 
1 1 1 12  11 9  o 109.4977 27.92220 368.4987       179.8397 368.4987       179.8397 0.000000       0.000000 109.4977 27.92220 ?        ?        0.000000       27.92220 
1 1 1 12  11 10 o 483.5038 12.58561 6873.759       356.5785 6873.759       356.5785 0.000000       0.000000 483.5038 12.58561 ?        ?        0.000000       12.58561 
1 1 1 12  11 11 o 545.3625 12.94369 8741.350       413.9939 8741.350       413.9939 0.000000       0.000000 545.3625 12.94369 ?        ?        0.000000       12.94369 
1 1 1 12  11 12 o 339.7156 16.05211 3404.577       318.9100 3404.577       318.9100 0.000000       0.000000 339.7156 16.05211 ?        ?        0.000000       16.05211 
1 1 1 12  11 13 o 274.3079 12.29908 2216.349       197.3583 2250.231       312.3498 2193.834       254.6260 275.4874 19.45773 272.4860 16.00385 3.001343       25.19378 
1 1 1 12  11 14 o 352.4817 13.80787 3661.443       284.8871 0.000000       0.000000 3661.443       284.8871 ?        ?        352.4817 13.80787 0.000000       13.80787 
1 1 1 12  11 15 o 237.0670 10.25563 1654.561       142.2510 1580.609       232.1451 1699.023       180.0046 230.8456 17.27219 239.9720 12.83677 -9.126343      21.52002 
1 1 1 12  11 16 o 75.44413 26.88807 146.2050       149.9469 0.000000       0.000000 146.2050       149.9469 ?        ?        75.44413 26.88807 0.000000       26.88807 
1 1 1 12  11 17 o 273.8092 8.604877 2204.644       138.0078 2293.145       247.8838 2164.889       166.1376 278.4351 15.23815 271.1432 10.46731 7.291870       18.48691 
1 1 1 12  11 18 o 398.1486 8.961597 4658.823       209.2575 4718.995       316.2985 4611.986       279.0575 399.9233 13.50496 395.6078 12.04160 4.315582       18.09376 
1 1 1 12  11 19 o 214.6468 8.935214 1356.703       112.2352 1430.685       217.3859 1329.815       131.0530 219.2585 17.03902 212.3289 10.55727 6.929688       20.04455 
1 1 1 12  11 20 o 611.3080 9.581268 10992.41       343.5054 11207.14       600.3532 10887.90       418.8409 615.1000 16.65753 607.9195 11.74769 7.180481       20.38336 
1 1 1 12  11 21 o 45.80474 19.42982 3.344160       90.63624 -55.78419      185.1995 21.96616       103.9334 59.93477 26.55858 51.20020 21.19685 8.734570       33.98035 
1 1 1 12  11 22 o 209.2290 8.892133 1290.075       108.8647 1233.009       220.2490 1308.525       125.2322 202.8089 18.72870 210.5632 10.17113 -7.754364      21.31235 
1 1 1 12  11 23 o 368.1815 7.783313 3985.489       168.0649 4074.449       295.9058 3943.126       204.1974 371.0248 13.62191 365.8592 9.524786 5.165558       16.62161 
1 1 1 12  11 24 o 198.2255 8.933311 1158.709       103.5870 1243.303       198.1350 1126.890       121.5168 203.9695 16.70959 195.2472 10.65245 8.722305       19.81628 
1 1 1 12  11 25 o 370.2236 7.561732 4029.865       164.1859 3963.854       275.7120 4066.137       204.3748 366.0494 12.86296 371.5051 9.387721 -5.455658      15.92435 
1 1 1 12  11 26 o 324.0718 7.270010 3087.095       138.1741 3062.564       208.8661 3106.187       184.2552 322.0833 11.07378 324.6266 9.688832 -2.543396      14.71401 
1 1 1 12  11 27 o 292.6159 7.957540 2519.838       136.4344 2337.417       201.3229 2674.774       185.5372 281.1215 12.24026 301.0863 10.52344 -19.96481      16.14208 
1 1 1 12  11 28 o 175.0716 11.21753 907.6287       114.5705 886.8372       192.3373 919.0635       142.6379 171.3690 19.48278 175.7108 13.95617 -4.341782      23.96567 
1 1 1 12  11 29 o 245.4883 8.465944 1775.507       121.7044 1743.646       202.9616 1793.396       152.0795 242.2103 14.35232 246.4058 10.54812 -4.195541      17.81157 
1 1 1 12  11 30 o 322.4491 7.661872 3058.651       144.8927 3147.474       225.6046 2996.292       189.0311 326.1735 11.81317 318.6075 10.12929 7.565979       15.56128 
1 1 1 12  11 31 o 308.1796 7.909441 2797.532       142.8371 3143.274       232.9122 2589.117       180.8347 325.6906 12.21538 295.9754 10.43411 29.71524       16.06506 
1 1 1 12  11 32 o 212.4943 9.901846 1335.794       123.0603 1224.438       192.2031 1413.156       160.2022 201.8726 16.37473 217.9962 12.58400 -16.12366      20.65160 
1 1 1 12  11 33 o 261.2237 8.253489 2013.096       126.2860 2291.788       204.0370 1840.038       160.7836 277.6637 12.56220 249.1358 11.03147 28.52789       16.71832 
1 1 1 12  11 34 o 124.2536 15.81490 468.8580       112.6381 576.7640       180.8406 400.4608       143.9768 135.4977 23.61486 112.7420 22.56303 22.75575       32.66117 
1 1 1 12  11 35 o 150.4400 13.21986 679.4282       115.4533 743.0714       188.1745 641.0078       146.2062 154.6738 21.30974 144.8068 17.57512 9.866989       27.62227 
1 1 1 12  11 36 o 32.64192 15.92288 -175.6136      99.32688 -153.3489      189.2618 -184.0769      116.6879 52.82821 24.68137 36.42822 17.65178 16.39999       30.34395 
1 1 1 12  11 37 o 78.52841 20.79823 198.2340       97.29131 175.5755       159.0679 211.7767       122.9759 77.12708 27.67018 80.94682 24.10890 -3.819740      36.69983 
1 1 1 12  11 38 o 38.02091 17.85942 -95.33422      101.3762 -15.36963      154.2368 -156.1553      134.5136 55.39023 24.40436 41.62761 19.85020 13.76262       31.45796 
1 1 1 12  11 39 o 129.7850 14.20914 516.5789       106.3885 536.9379       172.6714 504.1208       135.0720 127.5708 23.95863 126.1796 18.82794 1.391197       30.47142 
1 1 1 12  11 40 o 96.39457 18.45857 298.1431       100.5533 205.5247       175.4146 343.4718       122.7168 80.25989 29.02322 102.4061 21.13394 -22.14618      35.90252 
1 1 1 12  11 41 o 216.7518 9.463163 1406.708       120.0057 1427.046       195.5090 1394.414       152.0112 214.5457 15.64559 214.3824 12.13988 0.1633606      19.80306 
1 1 1 12  11 42 o 49.23603 20.90630 21.86450       105.1135 -139.1856      164.8431 132.2202       136.4545 47.60366 22.48724 67.31176 25.36953 -19.70810      33.90116 
1 1 1 12  11 43 o 226.8379 9.777124 1547.793       129.7646 1515.083       199.2744 1571.875       170.9862 220.2759 15.52475 226.4913 12.92606 -6.215439      20.20151 
1 1 1 12  11 44 o 53.82221 22.29076 50.87030       114.9975 101.7129       188.9224 20.94390       144.9428 67.68308 28.34291 55.17098 23.99697 12.51210       37.13724 
1 1 1 12  11 45 o 39.98326 18.88535 -102.9211      116.2042 -249.5160      200.2020 -28.43925      142.7033 47.37548 22.99503 50.43687 22.75739 -3.061382      32.35228 
1 1 1 12  11 46 o 84.81563 30.24188 272.1326       189.7072 253.8223       209.4518 355.7446       447.5805 82.74810 31.37629 93.15475 41.28299 -10.40665      51.85322 
1 1 1 12  11 47 o 88.49445 22.98876 276.8636       120.3717 273.8415       122.7138 353.7753       619.0594 87.75188 23.41186 93.86185 44.10317 -6.109962      49.93200 
1 1 1 12  12 0  o 436.5587 12.44477 5602.587       318.3000 5317.575       412.7116 6020.981       500.0440 424.8822 16.59448 451.8603 18.91101 -26.97809      25.15955 
1 1 1 12  12 1  o 302.7654 11.74478 2696.098       208.1503 2674.450       255.0150 2739.308       360.2895 301.3109 14.47346 304.2888 20.30520 -2.977997      24.93556 
1 1 1 12  12 2  o 817.0095 19.45697 19655.04       932.2938 19165.58       1278.833 20210.25       1362.021 804.7570 27.13439 826.1371 28.15244 -21.38013      39.10031 
1 1 1 12  12 3  f 73.87058 25.51380 145.6513       134.3044 227.5515       152.0140 -145.6940      286.7115 87.74664 26.94986 71.64732 32.29883 16.09931       42.06554 
1 1 1 12  12 4  o 589.8478 15.24047 10235.79       526.7747 10294.90       723.4520 10169.08       768.5339 590.7002 20.91597 586.8159 22.37210 3.884338       30.62661 
1 1 1 12  12 5  o 613.0224 15.69748 11058.14       563.8966 10540.47       748.8147 11736.25       857.0369 597.5961 21.40020 630.2684 23.22560 -32.67230      31.58159 
1 1 1 12  12 6  o 367.9318 10.91470 3978.725       235.2607 3904.271       275.4787 4179.342       452.1970 364.3033 12.91403 376.0324 20.58312 -11.72916      24.29891 
1 1 1 12  12 7  o 367.2789 12.74702 3968.140       274.1551 3968.140       274.1551 0.000000       0.000000 367.2789 12.74702 ?        ?        0.000000       12.74702 
1 1 1 12  12 8  o 350.0229 12.04872 3603.443       246.9675 3603.443       246.9675 0.000000       0.000000 350.0229 12.04872 ?        ?        0.000000       12.04872 
1 1 1 12  12 9  o 320.2154 12.28759 3017.152       230.3313 3017.152       230.3313 0.000000       0.000000 320.2154 12.28759 ?        ?        0.000000       12.28759 
1 1 1 12  12 10 o 192.6923 15.73071 1099.734       176.2264 1099.734       176.2264 0.000000       0.000000 192.6923 15.73071 ?        ?        0.000000       15.73071 
1 1 1 12  12 11 o 536.5823 12.77846 8463.693       402.1291 8463.693       402.1291 0.000000       0.000000 536.5823 12.77846 ?        ?        0.000000       12.77846 
1 1 1 12  12 12 o 360.8125 17.00154 3844.157       358.7544 3844.157       358.7544 0.000000       0.000000 360.8125 17.00154 ?        ?        0.000000       17.00154 
1 1 1 12  12 13 o 320.4951 9.135447 3019.063       171.5372 2827.604       217.1261 3337.014       279.8043 309.8945 11.96920 336.4272 14.21322 -26.53268      18.58163 
1 1 1 12  12 14 o 224.7577 12.45445 1490.409       163.5266 1198.594       266.6566 1666.301       207.0243 199.8137 23.18488 237.3873 14.94595 -37.57353      27.58478 
1 1 1 12  12 15 o 296.8875 12.75686 2598.594       221.6009 0.000000       0.000000 2598.594       221.6009 ?        ?        296.8875 12.75686 0.000000       12.75686 
1 1 1 12  12 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  12 17 o 478.8887 8.331545 6737.591       233.9972 6607.245       400.6257 6805.084       288.2816 473.1263 14.45509 481.0540 10.21816 -7.927673      17.70199 
1 1 1 12  12 18 o 250.0939 8.477451 1840.179       124.1626 2004.903       241.1826 1780.781       144.8288 260.0185 15.89170 245.8522 10.06584 14.16631       18.81136 
1 1 1 12  12 19 o 383.7265 7.878759 4326.696       177.3087 4718.382       337.9586 4177.936       208.2750 399.4962 14.44828 376.9059 9.422230 22.59030       17.24910 
1 1 1 12  12 20 o 153.9732 11.13048 701.8876       99.83164 502.4169       204.0613 764.6506       114.4651 126.7334 28.18353 160.5903 12.24590 -33.85688      30.72903 
1 1 1 12  12 21 o 245.6490 8.265938 1776.183       118.9155 1869.049       227.3760 1741.220       139.5168 250.8255 15.53312 243.0290 9.808689 7.796463       18.37085 
1 1 1 12  12 22 o 87.87292 18.13519 237.7874       90.35994 221.9420       194.9937 242.1205       101.9692 88.91077 30.74098 88.40192 20.12135 0.5088425      36.74067 
1 1 1 12  12 23 o 262.8281 7.991954 2033.259       123.0468 2019.363       226.6320 2039.068       146.5238 260.7278 14.88302 262.9986 9.515263 -2.270721      17.66478 
1 1 1 12  12 24 o 303.0353 7.814550 2702.152       138.7667 2676.586       238.1621 2715.293       170.7439 300.5589 13.54597 303.5048 9.604531 -2.945892      16.60543 
1 1 1 12  12 25 o 221.9147 8.561959 1451.086       111.2229 1335.360       212.8012 1494.581       130.4606 211.2642 17.32715 225.0386 9.909184 -13.77434      19.96051 
1 1 1 12  12 26 o 112.2365 15.35291 380.0259       98.41288 430.2340       201.8557 364.3704       112.7166 116.6390 29.49499 109.2479 18.23466 7.391136       34.67647 
1 1 1 12  12 27 o 251.6544 8.905642 1866.050       131.2306 2007.842       246.9447 1810.250       154.9156 259.6204 16.30076 247.5939 10.69375 12.02647       19.49541 
1 1 1 12  12 28 o 387.2280 7.724400 4409.405       175.4212 4021.014       249.5937 4788.535       246.5995 368.9621 11.54879 402.9290 10.44430 -33.96689      15.57106 
1 1 1 12  12 29 o 189.9923 10.23820 1067.295       113.6588 1029.126       200.2384 1085.438       138.0539 184.7675 18.73750 191.2454 12.37500 -6.477921      22.45516 
1 1 1 12  12 30 o 179.4198 10.84321 953.6959       113.5657 1041.333       206.3624 915.6246       136.0145 185.5672 19.24066 175.3289 13.32745 10.23834       23.40563 
1 1 1 12  12 31 o 116.1234 15.98704 409.1199       105.9912 122.0928       190.0872 538.6231       127.6826 76.03890 29.61451 133.3465 16.69137 -57.30764      33.99443 
1 1 1 12  12 32 o 223.4242 9.190367 1475.040       120.1671 1621.690       201.5916 1394.211       149.6632 232.8978 14.83612 216.6607 11.82316 16.23714       18.97096 
1 1 1 12  12 33 o 167.7934 11.83407 838.4738       115.7084 484.9336       182.1173 1077.794       149.8380 123.3656 25.99293 189.9217 13.54114 -66.55607      29.30861 
1 1 1 12  12 34 o 243.8813 9.131009 1759.059       130.3708 1750.057       205.8888 1765.084       168.4419 241.6716 14.59437 243.6022 11.82545 -1.930618      18.78396 
1 1 1 12  12 35 o 33.79877 16.34691 -154.2810      98.88835 -412.8601      185.5274 -51.66478      116.8744 41.15757 20.39824 45.68502 20.60590 -4.527458      28.99468 
1 1 1 12  12 36 o 172.5461 10.91781 889.0764       109.9154 932.6793       178.9686 862.6691       139.2777 174.2304 17.76287 168.9091 14.19086 5.321350       22.73544 
1 1 1 12  12 37 o 170.1689 12.15153 871.3894       120.4742 1074.136       210.6545 772.8448       146.8623 185.4052 19.67296 158.7190 15.99518 26.68620       25.35490 
1 1 1 12  12 38 o 94.42622 19.82143 287.0584       106.2655 440.2954       179.9357 204.9884       131.6824 113.8219 27.30574 79.34242 25.19274 34.47945       37.15208 
1 1 1 12  12 39 o 126.9403 14.51585 495.7937       106.1260 508.9666       185.2102 489.3543       129.4926 122.4618 26.55430 124.4523 18.28646 -1.990555      32.24168 
1 1 1 12  12 40 o 161.9627 11.10147 791.4747       104.8122 744.8640       177.8781 816.2650       129.7243 152.1626 20.44984 163.3267 13.66819 -11.16409      24.59706 
1 1 1 12  12 41 o 98.07544 18.74320 311.8457       103.8799 490.5799       183.0210 226.9010       126.1727 118.4006 26.96269 81.60054 24.44804 36.80002       36.39634 
1 1 1 12  12 42 o 109.3387 17.82882 384.3616       110.3906 362.4454       188.4606 395.8086       136.2019 99.21650 29.91416 108.5546 22.14465 -9.338058      37.21885 
1 1 1 12  12 43 o 53.69121 22.05462 52.88722       111.3468 32.74410       196.1031 62.47097       135.2661 63.05018 27.65725 58.18835 24.14406 4.861832       36.71320 
1 1 1 12  12 44 o 118.0793 17.29535 449.4567       116.2213 309.6642       204.8293 515.8323       141.1414 90.14750 31.48703 124.8855 19.94074 -34.73802      37.27018 
1 1 1 12  12 45 o 162.4557 12.92685 815.9039       122.1475 852.0521       127.4541 408.7182       427.7666 165.8458 13.21302 96.69998 41.64118 69.14578       43.68721 
1 1 1 12  12 46 o 133.7169 17.03718 577.2831       130.5786 580.7205       137.2554 544.5078       423.8213 133.4367 17.99740 103.4128 42.80763 30.02393       46.43705 
1 1 1 12  12 47 o 65.25230 23.83747 138.5258       118.7440 132.3324       123.2456 218.6928       443.4060 64.60902 24.16085 85.58764 39.19692 -20.97861      46.04504 
1 1 1 12  13 0  o 604.8065 22.19155 10801.72       785.8101 0.000000       0.000000 10801.72       785.8101 ?        ?        604.8065 22.19155 0.000000       22.19155 
1 1 1 12  13 1  o 232.5689 11.58583 1592.466       157.5287 1416.544       183.2763 2089.969       308.2084 219.0614 14.34451 265.6209 19.93013 -46.55952      24.55555 
1 1 1 12  13 2  o 333.6118 11.72743 3272.912       229.0968 3043.644       278.8864 3748.677       401.7464 321.4185 14.83470 356.2531 19.30046 -34.83463      24.34288 
1 1 1 12  13 3  o 580.6750 15.00881 9920.410       510.6999 9941.089       697.0810 9896.451       750.3328 580.4474 20.50939 578.8457 22.14329 1.601746       30.18213 
1 1 1 12  13 4  o 293.5535 10.82967 2533.932       186.1263 2540.070       217.2495 2516.993       360.8854 293.7629 12.63947 291.4224 21.26151 2.340454       24.73475 
1 1 1 12  13 5  o 488.3870 10.94486 7004.670       313.4908 6855.170       367.1349 7407.074       602.3312 482.8300 12.97702 500.8764 20.54837 -18.04645      24.30306 
1 1 1 12  13 6  o 336.6920 10.24464 3331.668       202.0573 3306.633       237.8287 3396.625       383.0899 335.2731 12.11517 338.9955 19.34923 -3.722351      22.82915 
1 1 1 12  13 7  o 249.0199 12.50123 1826.654       181.9893 1826.654       181.9893 0.000000       0.000000 249.0199 12.50123 ?        ?        0.000000       12.50123 
1 1 1 12  13 8  o 259.8159 11.96836 1987.498       181.8791 1987.498       181.8791 0.000000       0.000000 259.8159 11.96836 ?        ?        0.000000       11.96836 
1 1 1 12  13 9  o 503.4653 12.52430 7449.728       369.8055 7449.728       369.8055 0.000000       0.000000 503.4653 12.52430 ?        ?        0.000000       12.52430 
1 1 1 12  13 10 o 466.2456 12.02484 6393.126       328.5352 6393.126       328.5352 0.000000       0.000000 466.2456 12.02484 ?        ?        0.000000       12.02484 
1 1 1 12  13 11 o 180.1003 15.62151 962.1635       163.3713 962.1635       163.3713 0.000000       0.000000 180.1003 15.62151 ?        ?        0.000000       15.62151 
1 1 1 12  13 12 o 235.1526 12.14148 1630.212       166.8779 1491.569       235.8442 1769.225       236.1582 224.1425 18.09484 244.4597 16.56988 -20.31720      24.53537 
1 1 1 12  13 13 o 346.9954 7.754544 3535.021       157.8085 3538.323       225.6269 3531.859       220.8013 346.7609 11.10890 346.4684 10.87993 0.2925415      15.54929 
1 1 1 12  13 14 o 565.5147 11.83610 9406.756       392.5572 8669.163       489.3386 10738.48       657.5181 542.0999 15.40708 602.5788 18.62796 -60.47894      24.17393 
1 1 1 12  13 15 o 410.7557 10.23006 4960.049       246.4407 4698.461       409.9685 5108.054       308.3754 398.4159 17.58875 416.3724 12.64302 -17.95654      21.66126 
1 1 1 12  13 16 o 398.0677 9.000246 4656.675       210.1173 5009.875       340.4927 4439.452       267.0237 412.0006 14.11241 388.2021 11.74197 23.79852       18.35848 
1 1 1 12  13 17 o 221.6403 11.41441 1449.868       147.8725 0.000000       0.000000 1449.868       147.8725 ?        ?        221.6403 11.41441 0.000000       11.41441 
1 1 1 12  13 18 o 276.6627 7.922310 2250.936       128.4120 2164.469       247.1043 2282.926       150.3004 270.1635 15.66280 278.4836 9.215276 -8.320160      18.17263 
1 1 1 12  13 19 o 348.9909 7.649734 3578.863       156.5709 3669.081       291.9496 3542.439       185.5036 352.2037 14.16283 346.9405 9.124817 5.263275       16.84779 
1 1 1 12  13 20 o 266.2283 7.873032 2085.114       122.7918 2126.254       233.2181 2069.336       144.4323 267.7399 14.91138 265.0486 9.305992 2.691284       17.57699 
1 1 1 12  13 21 o 306.5234 7.950370 2764.219       142.8021 3103.374       282.1186 2647.388       165.5813 323.4975 14.91007 299.7701 9.430026 23.72736       17.64187 
1 1 1 12  13 22 o 133.6265 11.19608 530.1213       86.93640 693.7881       199.2888 491.6556       96.61385 150.3785 23.35412 128.3649 13.01302 22.01360       26.73487 
1 1 1 12  13 23 o 459.1372 8.298937 6201.198       223.4681 6110.481       376.5227 6250.530       277.6586 454.1896 14.15252 460.5726 10.27927 -6.382965      17.49163 
1 1 1 12  13 24 o 497.6034 8.534709 7285.350       249.0707 7322.313       422.3753 7265.644       308.3972 497.0835 14.50385 496.4794 10.59153 0.6041260      17.95946 
1 1 1 12  13 25 o 159.7996 10.48599 755.7681       97.73035 895.3837       217.2742 720.3563       109.4247 171.5135 22.11442 155.7569 12.07312 15.75664       25.19539 
1 1 1 12  13 26 o 117.8859 15.66728 419.0040       105.6401 331.4475       224.8051 443.8181       119.6770 104.0582 32.90133 121.0255 17.35714 -16.96730      37.19903 
1 1 1 12  13 27 o 378.2371 8.459165 4209.083       187.6472 4243.451       324.0749 4191.749       230.1543 378.2589 14.63612 376.9936 10.41961 1.265381       17.96620 
1 1 1 12  13 28 o 54.40139 21.27682 54.75081       98.45494 24.55895       185.1461 66.65453       116.2548 66.22597 27.91509 59.26848 23.13774 6.957485       36.25751 
1 1 1 12  13 29 o 108.2615 17.42643 357.7213       106.8905 300.3273       228.2514 373.8440       120.9758 99.96742 33.27349 110.2556 19.41788 -10.28817      38.52505 
1 1 1 12  13 30 o 383.4074 7.791391 4326.585       175.1967 4313.268       268.9447 4336.402       230.9125 381.6603 12.03035 383.1831 10.28450 -1.522797      15.82720 
1 1 1 12  13 31 o 42.76721 19.21148 -44.07932      100.4267 -362.9370      181.0865 97.54543       120.6861 42.37294 20.83989 63.95863 23.91048 -21.58569      31.71769 
1 1 1 12  13 32 o 199.9770 9.640808 1183.422       112.7360 1238.780       194.6413 1155.477       138.2948 202.8741 16.50142 197.0997 12.02098 5.774399       20.41570 
1 1 1 12  13 33 o 253.9247 8.917088 1905.085       132.5879 1693.089       207.6714 2050.959       172.2674 237.7139 14.97212 262.9152 11.19780 -25.20128      18.69639 
1 1 1 12  13 34 o 152.6914 12.57448 698.0375       111.6073 825.8970       203.3816 642.9438       133.5045 163.0607 21.81401 145.5970 15.89257 17.46362       26.98934 
1 1 1 12  13 35 o 210.8366 9.754543 1319.648       120.2887 990.4388       199.1191 1508.831       150.9448 179.3271 19.23300 224.9561 11.47910 -45.62898      22.39817 
1 1 1 12  13 36 o 39.92534 18.22544 -54.36419      94.84550 -88.21503      183.2423 -41.97666      110.8494 55.41293 25.30960 44.87972 20.17019 10.53321       32.36376 
1 1 1 12  13 37 o 75.83951 21.26941 185.8736       98.40957 230.2632       178.8983 166.6136       117.8406 84.84400 29.43926 72.81570 23.89451 12.02830       37.91593 
1 1 1 12  13 38 o 158.0313 11.71386 753.2153       107.7941 569.0240       202.3167 826.2292       127.3797 129.3769 27.51141 164.9142 13.28245 -35.53723      30.54998 
1 1 1 12  13 39 o 106.9236 16.11026 357.9316       97.89032 416.2908       179.4760 333.2189       116.7918 109.5260 27.87495 101.2825 20.36867 8.243523       34.52384 
1 1 1 12  13 40 o 178.8343 10.83740 964.0912       113.1314 902.3710       192.2082 996.8072       139.9390 167.7176 19.93009 180.6248 13.30359 -12.90726      23.96235 
1 1 1 12  13 41 o 93.39577 20.09006 287.6024       106.7737 152.2668       199.7504 341.7404       126.3376 74.74432 29.96137 101.0405 21.94924 -26.29617      37.14099 
1 1 1 12  13 42 o 37.11614 17.56805 -100.7290      101.5546 -52.38908      200.7814 -117.3473      117.7236 58.08138 26.51497 39.66755 18.81653 18.41383       32.51316 
1 1 1 12  13 43 o 140.2572 14.48932 614.1089       117.4718 606.0904       121.9373 717.6117       438.0925 138.9061 15.21677 119.0218 45.31957 19.88428       47.80600 
1 1 1 12  13 44 o 32.53786 15.92809 -175.3884      101.9834 -203.7745      105.6881 208.3491       388.5884 32.01402 15.77913 86.11773 38.29828 -54.10371      41.42148 
1 1 1 12  13 45 o 53.13050 22.03038 51.16876       112.5116 68.65857       117.2872 -150.5763      398.3453 55.92403 22.76341 70.94908 33.92186 -15.02505      40.85175 
1 1 1 12  13 46 o 38.78861 18.48849 -119.5311      116.4329 -104.3680      121.9105 -276.9825      392.8441 40.88435 19.32076 66.31560 32.19356 -25.43124      37.54620 
1 1 1 12  14 0  o 334.7380 11.15114 3294.437       218.6090 3453.191       288.5191 3080.441       334.9761 342.4210 14.39906 322.9985 17.75153 19.42249       22.85716 
1 1 1 12  14 1  o 638.1400 15.74595 11978.30       589.2983 11878.55       812.7212 12088.88       855.7285 634.1963 21.88359 639.5886 22.84984 -5.392334      31.63869 
1 1 1 12  14 2  o 159.9626 12.92511 756.7896       120.2242 846.4887       137.4914 465.4438       247.7911 169.1214 13.98697 123.1078 33.45432 46.01360       36.26054 
1 1 1 12  14 3  o 561.7029 11.32502 9267.114       373.0750 9200.806       439.3502 9438.521       706.3821 559.5078 13.38919 565.2999 21.34475 -5.792114      25.19660 
1 1 1 12  14 4  o 280.8625 9.949322 2319.035       163.6255 2375.327       193.7634 2179.111       305.4893 284.1231 11.65299 271.2682 19.32863 12.85495       22.56963 
1 1 1 12  14 5  o 154.2099 12.72799 703.5623       114.0884 758.4706       126.6920 468.0535       262.3816 160.0556 13.62614 123.6391 34.74950 36.41651       37.32558 
1 1 1 12  14 6  o 193.3955 11.01467 1102.125       124.4139 1085.805       139.6649 1164.847       273.8041 191.8197 12.48271 197.0806 24.19608 -5.260986      27.22624 
1 1 1 12  14 7  o 178.8244 11.94666 943.8072       124.5734 1012.224       136.5926 605.5651       303.7093 185.1507 12.65523 139.8224 36.61176 45.32834       38.73727 
1 1 1 12  14 8  o 375.9333 11.42712 4156.279       251.6480 4156.279       251.6480 0.000000       0.000000 375.9333 11.42712 ?        ?        0.000000       11.42712 
1 1 1 12  14 9  o 587.2328 13.13175 10140.65       452.2552 10140.65       452.2552 0.000000       0.000000 587.2328 13.13175 ?        ?        0.000000       13.13175 
1 1 1 12  14 10 o 331.4502 14.80541 3240.347       287.0726 3240.347       287.0726 0.000000       0.000000 331.4502 14.80541 ?        ?        0.000000       14.80541 
1 1 1 12  14 11 o 97.41036 22.87654 292.1759       128.4487 292.1759       128.4487 0.000000       0.000000 97.41036 22.87654 ?        ?        0.000000       22.87654 
1 1 1 12  14 12 f 255.5274 10.86185 1922.760       162.4053 1831.680       225.8542 2020.276       233.6980 248.8313 15.55429 261.4087 15.31052 -12.57732      21.82540 
1 1 1 12  14 13 f 414.4442 9.403955 5046.696       228.5741 5244.677       273.2837 4585.702       417.0136 422.1945 11.04648 393.6080 18.11347 28.58649       21.21609 
1 1 1 12  14 14 o 461.3226 10.76765 6258.330       291.3240 5907.855       462.2633 6489.235       375.2130 446.8102 17.67558 469.1582 13.65118 -22.34802      22.33340 
1 1 1 12  14 15 o 40.16646 18.47684 -75.22449      100.0262 124.3702       172.7276 -175.9321      122.6926 75.33100 28.50930 38.87886 18.65176 36.45214       34.06858 
1 1 1 12  14 16 o 286.5293 7.688317 2413.394       129.0798 2634.241       192.0102 2231.290       174.3568 298.9905 10.96865 275.1593 10.82561 23.83118       15.41120 
1 1 1 12  14 17 f 72.37194 20.55971 159.6600       91.34547 673.9613       197.9888 20.58215       102.9582 148.5639 23.50476 50.86584 21.08131 97.69803       31.57365 
1 1 1 12  14 18 o 363.3402 7.757357 3879.373       165.3019 3901.937       291.3411 3868.661       200.7420 363.3346 13.69691 362.5320 9.449566 0.8026123      16.64030 
1 1 1 12  14 19 o 253.6064 10.25497 1896.526       152.2118 0.000000       0.000000 1896.526       152.2118 ?        ?        253.6064 10.25497 0.000000       10.25497 
1 1 1 12  14 20 o 286.0956 7.657104 2407.616       128.3618 2494.960       248.3891 2375.791       149.9343 290.0653 14.64854 284.0277 9.012385 6.037659       17.19892 
1 1 1 12  14 21 o 192.3276 8.503517 1090.209       95.67883 1396.708       221.1635 1019.637       106.1237 216.1034 17.60257 185.8317 9.771720 30.27171       20.13298 
1 1 1 12  14 22 o 389.5009 7.801657 4461.030       178.2157 4396.901       305.2050 4494.208       219.5287 385.3976 13.52401 390.6733 9.581356 -5.275696      16.57412 
1 1 1 12  14 23 o 262.3175 7.667951 2024.993       117.8395 2025.864       233.6851 2024.696       136.4596 260.9895 15.33470 262.1381 8.888986 -1.148590      17.72476 
1 1 1 12  14 24 o 116.9176 12.42859 408.1473       83.91780 150.3882       178.3829 481.4047       95.09811 78.49199 29.12264 126.9956 12.94928 -48.50365      31.87180 
1 1 1 12  14 25 f 287.7938 8.178190 2438.094       137.8950 2340.417       254.7470 2478.576       163.9990 280.5571 15.54311 289.9570 9.657471 -9.399933      18.29905 
1 1 1 12  14 26 o 359.7740 8.396420 3807.845       177.1636 4051.151       334.8478 3713.258       208.7795 369.3509 15.49256 354.8923 10.04102 14.45862       18.46189 
1 1 1 12  14 27 o 266.6782 8.673032 2095.140       135.4662 1942.522       257.0969 2153.796       159.3864 254.9959 17.29379 270.1719 10.07680 -15.17599      20.01542 
1 1 1 12  14 28 o 184.5291 10.60203 1007.656       114.2542 1009.278       232.0623 1007.137       131.2662 181.9391 22.20815 184.2077 12.21959 -2.268600      25.34798 
1 1 1 12  14 29 o 298.0613 8.194868 2617.159       143.1152 2755.508       239.4596 2540.281       178.5034 304.6779 13.43414 293.2363 10.39599 11.44165       16.98684 
1 1 1 12  14 30 o 272.5229 8.347420 2189.789       133.2581 2298.080       235.3840 2138.711       161.6590 277.6779 14.50419 268.9458 10.26794 8.732147       17.77082 
1 1 1 12  14 31 f 80.20148 20.59089 201.5639       97.34171 270.8529       185.4758 175.2241       114.3566 93.51376 29.92200 75.70901 23.39642 17.80475       37.98314 
1 1 1 12  14 32 o 69.47296 20.66996 148.4858       90.43217 141.6330       178.0318 150.8688       104.9848 76.44765 28.94104 70.74680 22.49805 5.700851       36.65714 
1 1 1 12  14 33 o 142.2829 12.68763 606.3640       104.7631 508.4249       194.9284 646.1434       124.2301 125.6148 27.24532 146.4107 14.66502 -20.79582      30.94140 
1 1 1 12  14 34 o 120.2275 15.20128 439.8199       104.7933 471.8782       193.8888 426.5905       124.5528 120.1497 28.03102 117.3067 18.73412 2.843063       33.71506 
1 1 1 12  14 35 o 220.7623 9.059721 1445.438       117.0487 1299.890       193.8473 1528.953       146.8392 206.8059 16.10955 226.4310 11.09121 -19.62512      19.55844 
1 1 1 12  14 36 f 161.7896 11.14024 784.5720       105.0598 764.6701       187.6208 793.6628       126.8040 155.4981 21.11869 161.9270 13.47451 -6.428940      25.05118 
1 1 1 12  14 37 o 100.2524 17.48101 316.7468       99.04568 314.0535       177.1646 317.9713       119.4578 95.91740 29.02207 98.99196 21.21412 -3.074554      35.94884 
1 1 1 12  14 38 o 94.24887 18.78000 284.8211       100.1595 120.4798       173.1586 367.4525       122.7845 70.65297 28.03633 106.6592 20.37150 -36.00623      34.65593 
1 1 1 12  14 39 o 195.1025 10.47289 1143.094       119.3947 839.5437       222.7545 1265.452       141.4257 158.8048 24.72161 204.6508 11.83370 -45.84596      27.40792 
1 1 1 12  14 40 o 178.9797 10.54045 965.1832       110.1506 1040.213       211.5684 937.2825       129.0155 179.4845 20.46410 175.3499 12.63006 4.134613       24.04782 
1 1 1 12  14 41 o 48.06327 19.86238 33.86265       91.03462 41.76289       92.86147 -161.0217      461.2156 49.47727 20.21126 78.12585 37.11286 -28.64858      42.25943 
1 1 1 12  14 42 o 57.17622 21.93319 86.35691       103.1113 82.30062       105.8886 160.6541       453.1803 56.92207 22.12168 88.27420 40.11839 -31.35213      45.81326 
1 1 1 12  14 43 o 86.40163 22.32112 257.4026       113.9045 293.6490       118.0756 -228.6105      432.3656 92.51727 22.07104 72.01260 34.66731 20.50466       41.09688 
1 1 1 12  14 44 o 116.2708 17.29698 436.9761       114.3616 440.0985       118.5035 394.6360       436.3777 116.2917 17.95260 96.47388 41.80197 19.81784       45.49396 
1 1 1 12  14 45 o 41.87014 19.25882 -53.44795      108.6382 -30.97493      112.2422 -386.6356      432.1851 44.51116 20.12392 66.42989 32.57507 -21.91874      38.28978 
1 1 1 12  14 46 o 93.33035 22.54640 305.5353       122.0152 299.8315       126.6436 379.3192       455.4926 91.85701 23.43548 93.43317 41.51306 -1.576164      47.67133 
1 1 1 12  15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  15 1  o 285.1897 10.38034 2391.630       173.3288 2268.956       214.2294 2624.132       294.9282 277.5262 13.19991 298.0913 16.93978 -20.56506      21.47543 
1 1 1 12  15 2  o 727.3077 17.48266 15576.40       745.7207 16158.16       1071.310 15029.55       1038.664 738.8181 24.75945 712.4825 24.89536 26.33563       35.11138 
1 1 1 12  15 3  o 631.3901 12.20848 11714.33       452.0742 12253.77       555.6887 10658.52       777.4132 645.4659 14.67938 600.4482 22.11405 45.01770       26.54271 
1 1 1 12  15 4  o 394.4532 9.908340 4571.881       229.0356 4682.570       275.0100 4321.315       413.7694 399.0379 11.76409 382.5042 18.49955 16.53363       21.92321 
1 1 1 12  15 5  o 400.4023 9.629480 4707.737       226.1257 4811.604       270.9238 4469.222       410.5513 404.5209 11.43119 389.0436 18.04276 15.47723       21.35915 
1 1 1 12  15 6  o 602.4346 11.40493 10663.99       402.9518 10722.98       473.5578 10509.22       767.0559 603.8699 13.37147 596.0173 21.98175 7.852539       25.72923 
1 1 1 12  15 7  o 108.3115 14.65296 351.4386       90.69357 354.7560       97.20415 329.1338       252.0522 108.6632 15.70816 106.7847 34.94040 1.878479       38.30898 
1 1 1 12  15 8  o 314.4617 10.92567 2909.260       201.1899 2909.260       201.1899 0.000000       0.000000 314.4617 10.92567 ?        ?        0.000000       10.92567 
1 1 1 12  15 9  o 407.8168 15.70175 4906.490       374.8449 4906.490       374.8449 0.000000       0.000000 407.8168 15.70175 ?        ?        0.000000       15.70175 
1 1 1 12  15 10 o 461.3530 11.49443 6257.846       311.0078 6257.846       311.0078 0.000000       0.000000 461.3530 11.49443 ?        ?        0.000000       11.49443 
1 1 1 12  15 11 o 313.4536 16.26741 2905.060       298.0258 2905.060       298.0258 0.000000       0.000000 313.4536 16.26741 ?        ?        0.000000       16.26741 
1 1 1 12  15 12 o 645.9915 17.38345 12330.61       657.9885 12330.61       657.9885 0.000000       0.000000 645.9915 17.38345 ?        ?        0.000000       17.38345 
1 1 1 12  15 13 o 172.4482 12.56155 880.0682       126.1723 924.1586       174.4405 831.6954       182.7160 176.0722 17.10841 166.6041 19.04153 9.468063       25.59838 
1 1 1 12  15 14 o 325.0593 9.492131 3108.717       180.7638 2957.012       289.7576 3205.375       231.2894 316.1121 15.67836 329.7589 11.97929 -13.64682      19.73105 
1 1 1 12  15 15 o 133.7511 13.47526 532.6817       104.2631 423.5078       179.3808 588.3829       128.1293 116.6806 26.78149 140.2530 15.85472 -23.57234      31.12266 
1 1 1 12  15 16 o 277.5306 9.103085 2267.126       147.9660 2071.142       262.2611 2358.640       179.2131 263.9859 17.03045 282.8656 10.82283 -18.87976      20.17846 
1 1 1 12  15 17 o 299.9361 7.125181 2642.712       125.3358 2561.309       194.6072 2700.411       163.8403 294.6738 11.28158 302.8707 9.234653 -8.196869      14.57919 
1 1 1 12  15 18 o 391.6433 7.861839 4508.274       180.5782 4810.975       267.0606 4253.304       245.1024 403.9265 11.28451 379.8261 11.01466 24.10037       15.76905 
1 1 1 12  15 19 o 122.1021 12.05863 443.9516       85.22572 405.7000       198.3269 452.6150       94.38477 113.5504 29.51361 123.1017 13.28344 -9.551346      32.36515 
1 1 1 12  15 20 o 142.6576 10.16003 602.4393       84.44786 362.0577       207.8568 649.9615       92.41910 107.5817 31.15771 148.1301 10.71053 -40.54839      32.94721 
1 1 1 12  15 21 o 324.4618 7.676884 3095.276       146.0828 3158.338       287.3871 3073.305       169.6326 326.1851 15.06353 323.0302 8.962631 3.154968       17.52822 
1 1 1 12  15 22 o 222.8687 7.969480 1462.664       103.9992 1431.316       232.9791 1470.465       116.2211 218.5006 18.35021 223.3488 8.890357 -4.848221      20.39041 
1 1 1 12  15 23 o 212.9684 8.264264 1336.200       103.0255 1234.022       223.6525 1363.722       116.0744 202.5954 19.04664 215.0319 9.225596 -12.43648      21.16332 
1 1 1 12  15 24 o 25.18021 12.56391 -198.7389      75.30901 -308.5000      207.3476 -182.0595      80.82877 49.58762 23.90592 27.56485 13.62584 22.02277       27.51647 
1 1 1 12  15 25 o 96.27921 17.06867 283.3191       92.85071 472.3413       231.3354 247.0207       101.3746 121.8923 31.97064 89.28336 19.87174 32.60892       37.64317 
1 1 1 12  15 26 o 37.90213 19.10997 -626.3148      197.9907 -466.4702      224.4632 -1186.604      420.2449 46.74830 23.03258 56.97855 28.61012 -10.23026      36.72927 
1 1 1 12  15 27 f 161.2571 10.92224 770.5738       102.6859 539.2093       233.0399 826.3192       114.3896 130.0256 30.99894 166.8786 11.76324 -36.85306      33.15582 
1 1 1 12  15 28 o 91.75667 18.62995 260.3203       96.82620 250.6268       222.1820 262.5929       107.5793 93.75681 32.79049 91.83094 20.49524 1.925865       38.66873 
1 1 1 12  15 29 o 55.94338 21.56664 64.28028       100.0381 -214.0049      239.8024 122.9143       110.0736 59.13006 27.67650 66.62872 23.09364 -7.498653      36.04587 
1 1 1 12  15 30 o 181.7528 10.56416 979.3429       112.1220 835.2391       248.0388 1016.350       125.6972 162.9305 26.89531 184.9524 11.64732 -22.02187      29.30901 
1 1 1 12  15 31 o 237.2836 8.676451 1662.477       120.5392 1632.825       208.5861 1677.345       147.6986 233.4626 15.31875 237.9397 10.61091 -4.477066      18.63480 
1 1 1 12  15 32 o 25.70251 12.94891 -281.5199      89.92921 -218.4707      185.7959 -300.8101      102.7697 49.25877 23.44414 28.15658 14.13941 21.10219       27.37793 
1 1 1 12  15 33 o 129.5863 13.28803 505.3616       99.55923 561.4091       199.4961 486.7732       114.8887 132.1019 26.66986 126.4795 15.83443 5.622414       31.01629 
1 1 1 12  15 34 o 152.4036 11.47060 694.4769       101.7730 467.8012       199.5021 774.2182       118.3278 118.9000 28.89660 160.6339 12.66260 -41.73389      31.54924 
1 1 1 12  15 35 o 260.9918 8.099679 2016.357       123.8281 2381.839       221.2743 1849.713       149.4148 281.4150 13.44595 249.2595 10.24278 32.15549       16.90290 
1 1 1 12  15 36 o 148.9839 11.44080 667.4561       99.19964 412.3799       186.0633 768.7556       117.2544 109.9342 28.59298 159.5287 12.63569 -49.59452      31.26050 
1 1 1 12  15 37 o 236.8875 8.374292 1667.027       116.1601 1887.649       202.6995 1559.145       141.7435 249.3185 13.91794 228.1880 10.62069 21.13049       17.50737 
1 1 1 12  15 38 o 240.0989 8.678948 1715.934       122.0092 1636.026       202.3951 1761.550       152.9183 231.0442 15.01807 242.2989 10.78817 -11.25475      18.49127 
1 1 1 12  15 39 o 180.5241 11.02295 982.8413       116.1471 1010.309       119.9516 570.3136       464.8594 182.9406 11.23427 115.0424 45.84338 67.89818       47.19984 
1 1 1 12  15 40 o 213.2357 16.48351 1421.318       204.5396 1480.660       228.5935 1183.021       458.0770 216.2275 18.19476 161.4074 46.10262 54.82013       49.56310 
1 1 1 12  15 41 o 86.25400 19.63872 246.3204       97.11009 259.2811       99.44314 -20.21468      450.9597 88.53037 19.66428 81.86320 38.19764 6.667175       42.96212 
1 1 1 12  15 42 o 126.4438 15.15224 502.6969       110.1283 542.8177       113.9374 -67.43383      429.5052 131.5079 15.04320 77.60858 36.54996 53.89934       39.52465 
1 1 1 12  15 43 f 91.49904 21.29954 285.4123       112.1503 289.3423       116.0261 229.5193       437.5622 91.82343 21.86116 88.83721 39.98741 2.986221       45.57306 
1 1 1 12  15 44 o 43.33602 20.08275 -69.04224      121.3738 -104.8047      126.8487 318.6269       417.6407 41.95338 19.79022 91.53484 40.25001 -49.58145      44.85216 
1 1 1 12  15 45 o 174.6258 21.48860 1029.741       215.4376 724.4670       254.1099 1810.029       406.2597 134.8478 32.51284 214.0767 33.45208 -79.22884      46.64897 
1 1 1 12  15 46 o 37.08432 17.96018 -161.8755      120.3918 -209.9754      125.1344 436.8375       441.4834 35.70478 17.51252 95.45332 41.69327 -59.74855      45.22187 
1 1 1 12  16 0  o 862.6957 20.22222 21960.84       1023.144 21908.59       1438.797 22014.28       1455.232 858.5360 28.61527 860.5006 28.87660 -1.964600      40.65331 
1 1 1 12  16 1  o 212.3472 10.20177 1327.415       126.6777 1359.015       153.1748 1259.030       225.3326 214.6870 12.21594 205.7935 18.88009 8.893494       22.48749 
1 1 1 12  16 2  o 234.3260 10.29138 1615.900       141.0860 1659.344       170.5576 1521.749       251.0870 237.2824 12.29815 226.3683 19.09067 10.91409       22.70898 
1 1 1 12  16 3  o 498.6786 13.08363 7317.301       382.3174 7373.754       523.3677 7252.708       559.8291 499.8602 17.88167 495.4745 19.30258 4.385742       26.31242 
1 1 1 12  16 4  o 665.5587 12.31396 13022.17       480.6562 13121.61       569.3489 12775.49       896.7543 667.7653 14.53798 656.6965 23.32106 11.06879       27.48135 
1 1 1 12  16 5  o 234.8776 9.423914 1622.789       129.5510 1612.375       148.2357 1656.464       266.5599 234.0040 10.83075 236.1270 19.42006 -2.122971      22.23610 
1 1 1 12  16 6  o 144.4369 11.11685 616.7193       93.44552 647.7161       100.7008 424.5643       250.7264 147.9812 11.69824 117.8495 34.24642 30.13170       36.18931 
1 1 1 12  16 7  o 386.9675 9.554605 4398.618       216.8392 4427.551       255.6256 4324.382       409.4657 387.9480 11.24706 382.3818 18.31192 5.566132       21.49006 
1 1 1 12  16 8  o 168.4772 10.88743 837.7583       107.0005 837.7583       107.0005 0.000000       0.000000 168.4772 10.88743 ?        ?        0.000000       10.88743 
1 1 1 12  16 9  o 119.3468 35.87040 434.0381       271.2923 434.0381       271.2923 0.000000       0.000000 119.3468 35.87040 ?        ?        0.000000       35.87040 
1 1 1 12  16 10 o 645.6187 13.88410 12275.61       525.7075 12275.61       525.7075 0.000000       0.000000 645.6187 13.88410 ?        ?        0.000000       13.88410 
1 1 1 12  16 11 o 301.0545 10.09291 2667.215       177.9499 2667.215       177.9499 0.000000       0.000000 301.0545 10.09291 ?        ?        0.000000       10.09291 
1 1 1 12  16 12 o 126.1629 11.91371 472.5961       87.10746 475.9474       99.68648 461.7741       179.1376 126.3674 13.66816 122.2150 25.80371 4.152382       29.20017 
1 1 1 12  16 13 o 60.26487 21.00157 96.45848       91.09467 117.6050       110.3910 51.32440       161.2749 66.37441 23.11989 65.45488 26.67415 0.9195328      35.29929 
1 1 1 12  16 14 o 242.1024 9.200996 1725.691       130.4047 2103.625       214.2451 1503.273       164.3571 266.7221 13.74258 225.5409 12.47405 41.18117       18.55964 
1 1 1 12  16 15 o 224.1265 9.149395 1479.529       120.0113 1433.844       200.6815 1504.963       149.7368 219.6907 15.67867 225.7831 11.34436 -6.092438      19.35240 
1 1 1 12  16 16 o 204.8872 9.195937 1237.120       110.2182 1209.169       201.3037 1249.086       131.7152 201.3009 17.21634 205.6644 10.95967 -4.363480      20.40874 
1 1 1 12  16 17 o 57.62896 18.79261 95.24980       72.94324 200.4538       134.5309 51.44271       86.81170 81.76945 25.39433 51.76920 20.05465 30.00025       32.35832 
1 1 1 12  16 18 f 175.0399 8.158279 902.8076       83.51987 804.0126       148.9185 948.1431       100.8789 164.0495 15.66844 179.2237 9.632810 -15.17424      18.39268 
1 1 1 12  16 19 o 245.7901 7.321741 1777.215       105.4253 1873.129       174.8380 1722.417       132.1533 251.6958 11.87781 241.7237 9.339555 9.972107       15.10992 
1 1 1 12  16 20 o 421.3369 8.138881 5221.235       201.1151 5164.898       358.4314 5247.122       242.9661 417.4154 14.66433 422.0949 9.814882 -4.679443      17.64581 
1 1 1 12  16 21 o 185.2275 8.210657 1011.191       88.97198 918.1219       223.0172 1028.807       97.02779 173.5960 22.42892 186.7571 8.884143 -13.16106      24.12435 
1 1 1 12  16 22 o 223.2426 7.843450 1467.408       102.5320 1758.749       245.3286 1405.749       112.8616 242.6079 17.35687 218.3756 8.830557 24.23230       19.47408 
1 1 1 12  16 23 o 376.7318 8.031343 4174.229       177.4480 4182.477       320.2003 4170.574       213.1768 375.5562 14.56533 376.1932 9.670271 -0.6369629     17.48322 
1 1 1 12  16 24 o 42.51179 18.23201 -3.567729      81.37367 -480.2626      226.7352 66.91042       87.18184 46.71001 23.03945 54.29125 20.31702 -7.581242      30.71803 
1 1 1 12  16 25 o 410.1400 8.236021 4948.329       198.1071 5144.304       358.7471 4862.347       237.6243 416.4935 14.70998 406.2621 9.973190 10.23148       17.77211 
1 1 1 12  16 26 o 70.06245 19.90703 150.5537       85.63055 -54.83249      222.3557 186.3179       92.78699 65.96648 29.17259 77.51170 20.20736 -11.54521      35.48770 
1 1 1 12  16 27 o 435.3793 8.397946 5579.690       214.4329 5645.118       379.0199 5548.890       260.0534 435.9238 14.84688 433.7791 10.22218 2.144653       18.02562 
1 1 1 12  16 28 o 102.4989 16.04080 319.9053       93.26674 -107.6440      242.3402 394.2429       101.0501 65.40727 29.57064 114.1440 15.49472 -48.73670      33.38426 
1 1 1 12  16 29 o 133.6007 12.86870 533.9245       99.58496 574.1799       246.1035 526.0425       108.8987 132.9932 31.95270 132.3058 14.25929 0.6874084      34.99003 
1 1 1 12  16 30 o 125.7720 13.33005 474.8785       96.83038 618.9776       232.1536 444.5300       106.5402 138.6888 29.45273 121.1809 15.33367 17.50781       33.20518 
1 1 1 12  16 31 o 71.34067 20.54804 157.8585       90.63287 171.3285       224.7723 155.2432       99.04119 84.38754 32.38028 71.18364 21.73245 13.20390       38.99720 
1 1 1 12  16 32 o 113.0080 14.39911 387.0118       93.26785 257.2055       202.1210 422.1294       105.1298 91.88046 31.31355 117.7840 15.60250 -25.90350      34.98537 
1 1 1 12  16 33 o 118.6294 13.46403 425.1642       92.01889 147.1718       189.6802 510.7259       105.2313 77.56561 29.74980 130.0000 14.02394 -52.43439      32.88953 
1 1 1 12  16 34 o 167.3964 9.654691 833.5647       94.38189 738.4648       191.1465 864.2260       108.5356 153.0636 21.91816 170.1187 10.93645 -17.05507      24.49513 
1 1 1 12  16 35 o 233.7078 8.006546 1618.123       109.5789 1870.520       209.0937 1522.556       128.6625 248.5327 14.40696 226.1447 9.723687 22.38809       17.38133 
1 1 1 12  16 36 f 267.8983 8.965144 2134.044       140.6584 2129.667       149.2121 2168.967       421.4939 267.3834 9.530466 254.6237 28.72639 12.75969       30.26608 
1 1 1 12  16 37 o 166.6728 10.90276 834.9904       105.9890 841.9250       109.1339 719.8428       444.7069 167.2580 11.18994 130.0364 46.30923 37.22165       47.64200 
1 1 1 12  16 38 o 216.6384 9.914598 1405.228       125.6343 1427.032       130.1665 1108.372       480.2881 218.1847 10.20066 157.2252 47.82921 60.95958       48.90487 
1 1 1 12  16 39 o 43.05064 18.86301 -7.869808      90.98877 -2.434632      93.22459 -117.1225      417.9649 44.16370 19.22681 77.52336 36.36676 -33.35966      41.13650 
1 1 1 12  16 40 o 30.49506 14.88911 -149.9401      87.41307 -144.3897      88.94211 -307.2196      473.4575 31.21586 15.19153 74.68996 36.03662 -43.47410      39.10781 
1 1 1 12  16 41 o 50.90487 24.18331 -166.1397      195.8934 1.868418       215.2616 -975.7460      472.5398 63.22060 28.28376 59.73447 30.04026 3.486130       41.26001 
1 1 1 12  16 42 o 250.9639 9.981803 1899.511       146.6235 1899.066       154.5558 1903.519       463.6357 250.5351 10.54236 215.8432 38.01389 34.69197       39.44867 
1 1 1 12  16 43 o 72.18516 22.72255 178.5054       107.3351 188.8742       110.6012 10.68350       444.9585 73.99158 23.03276 79.95127 37.51113 -5.959686      44.01810 
1 1 1 12  16 44 f 114.2378 17.99819 427.2212       116.5978 485.5730       122.9832 -91.33355      366.6198 122.1187 17.68595 70.59274 33.40337 51.52597       37.79654 
1 1 1 12  16 45 o 63.06366 24.33842 117.5999       127.5059 120.4801       136.5867 98.07407       355.6301 64.15894 25.07009 77.48937 35.34169 -13.33043      43.33064 
1 1 1 12  17 0  o 596.3115 14.70951 10467.60       514.4247 10332.50       712.1764 10614.99       743.8709 591.0106 20.57808 598.8824 21.21250 -7.871826      29.55381 
1 1 1 12  17 1  o 702.3629 16.87503 14540.21       695.1151 14422.70       968.5699 14665.03       998.1810 697.3920 23.71569 703.0566 24.24482 -5.664551      33.91526 
1 1 1 12  17 2  o 339.6442 10.50247 3392.788       208.9507 3345.079       271.6525 3461.911       326.9825 336.8848 13.77841 342.3777 16.33137 -5.492889      21.36722 
1 1 1 12  17 3  o 650.1155 12.19189 12428.08       464.8493 12550.29       554.9180 12140.56       851.1451 652.9317 14.49141 639.9787 22.71312 12.95300       26.94228 
1 1 1 12  17 4  o 211.7561 9.977201 1320.309       123.5584 1266.502       142.1565 1486.535       249.8598 207.2192 11.74541 223.5531 19.24459 -16.33392      22.54571 
1 1 1 12  17 5  o 393.6403 9.665731 4552.198       223.1438 4676.834       268.5877 4274.476       400.9303 398.6757 11.49926 380.1562 18.03418 18.51947       21.38842 
1 1 1 12  17 6  o 65.79071 17.07189 132.4372       66.43222 155.2449       70.14703 -65.95165      206.8841 71.13596 17.03852 63.41168 28.08631 7.724285       32.85045 
1 1 1 12  17 7  o 456.1255 9.793257 6113.413       261.9763 6201.480       309.6759 5891.749       491.2991 459.0760 11.51105 446.1585 18.81840 12.91751       22.05983 
1 1 1 12  17 8  o 439.7318 11.09198 5689.502       285.8253 5689.502       285.8253 0.000000       0.000000 439.7318 11.09198 ?        ?        0.000000       11.09198 
1 1 1 12  17 9  o 294.5760 10.15248 2553.860       175.1341 2553.860       175.1341 0.000000       0.000000 294.5760 10.15248 ?        ?        0.000000       10.15248 
1 1 1 12  17 10 o 389.6325 10.71416 4468.157       244.5973 4468.157       244.5973 0.000000       0.000000 389.6325 10.71416 ?        ?        0.000000       10.71416 
1 1 1 12  17 11 o 184.2162 10.03621 1000.800       108.0201 1000.800       108.0201 0.000000       0.000000 184.2162 10.03621 ?        ?        0.000000       10.03621 
1 1 1 12  17 12 o 142.0580 10.58846 596.9800       87.58179 592.6280       102.3468 608.8839       169.2686 141.2957 12.47893 141.7115 21.00139 -0.4158936     24.42912 
1 1 1 12  17 13 o 208.6251 9.409290 1282.459       114.8298 1326.039       149.9210 1220.604       178.6075 211.8177 12.11897 202.7372 15.13070 9.080490       19.38576 
1 1 1 12  17 14 o 139.0256 10.46881 572.0623       84.73061 575.5146       115.5523 568.0474       124.6145 138.8790 14.39556 137.7384 15.70670 1.140579       21.30569 
1 1 1 12  17 15 o 708.8573 11.19375 14801.07       465.3556 14288.82       572.7696 15795.89       798.1962 695.5879 14.04033 729.1447 18.68114 -33.55676      23.36912 
1 1 1 12  17 16 o 111.1031 12.74120 368.8979       81.52042 416.0939       138.1205 343.6685       100.9856 116.4451 20.99722 106.4480 16.72707 9.997078       26.84545 
1 1 1 12  17 17 o 120.8648 11.03967 434.0316       77.39091 272.5002       156.4034 486.4046       89.05766 93.86633 26.97964 127.8621 12.01712 -33.99574      29.53493 
1 1 1 12  17 18 o 186.6454 7.537017 1025.726       82.33287 1170.740       146.6349 958.9589       99.49725 198.7260 12.64711 180.2433 9.445383 18.48260       15.78495 
1 1 1 12  17 19 o 247.1812 7.266659 1797.457       105.2274 1799.868       174.1525 1796.071       132.0603 246.6470 12.07607 246.8540 9.137593 -0.2070465     15.14355 
1 1 1 12  17 20 o 553.5688 8.287771 9014.725       269.0667 9079.433       407.3557 8964.645       358.3694 554.4161 12.52817 551.3358 11.08318 3.080322       16.72698 
1 1 1 12  17 21 o 257.7184 7.620257 1954.648       115.0504 1985.202       246.3153 1946.121       130.1164 258.0780 16.35801 257.0233 8.644252 1.054749       18.50155 
1 1 1 12  17 22 o 179.3018 8.325520 947.7860       87.30905 1025.789       239.9023 935.8773       93.73717 183.5378 22.77579 178.0886 9.004024 5.449203       24.49100 
1 1 1 12  17 23 o 194.0172 8.606750 1109.732       97.68943 643.2418       237.0387 1205.174       107.2182 142.9492 29.26028 202.1466 9.066886 -59.19745      30.63287 
1 1 1 12  17 24 o 373.4661 8.037365 4102.286       176.0416 5129.734       387.9149 3835.804       197.5563 415.5052 15.94838 360.8231 9.343543 54.68204       18.48385 
1 1 1 12  17 25 o 193.3192 8.819861 1102.312       99.73363 738.8602       243.7800 1175.372       109.2991 153.6600 28.08585 199.5635 9.364788 -45.90350      29.60598 
1 1 1 12  17 26 o 223.1043 8.315092 1466.982       108.6088 1331.822       240.6908 1501.538       121.7036 210.0752 19.76829 225.5915 9.218197 -15.51627      21.81193 
1 1 1 12  17 27 o 189.0900 9.175682 1056.007       101.4517 686.1554       254.9564 1125.585       110.5835 146.6279 30.63717 195.1553 9.692161 -48.52740      32.13369 
1 1 1 12  17 28 o 118.3339 12.98020 419.9172       88.60586 220.2744       232.4288 453.8640       95.84343 90.71613 33.31611 122.9683 13.51217 -32.25220      35.95194 
1 1 1 12  17 29 o 158.0095 10.21235 740.5412       94.12985 719.0249       233.4765 744.7173       102.8599 150.6188 27.44172 158.2842 11.15184 -7.665466      29.62114 
1 1 1 12  17 30 o 197.0988 9.242528 1149.041       106.5403 932.2502       244.7583 1199.720       118.3398 172.7758 24.87035 201.2504 10.05825 -28.47456      26.82728 
1 1 1 12  17 31 o 153.0000 11.20163 697.1736       99.81663 506.0208       242.8360 736.0367       109.4943 123.6786 32.90556 157.0586 11.97753 -33.38006      35.01767 
1 1 1 12  17 32 o 70.18848 19.69240 154.1035       84.33980 141.1696       224.2520 156.2344       91.02252 80.68939 31.94175 70.79613 20.65193 9.893257       38.03653 
1 1 1 12  17 33 o 64.82265 19.42029 130.3001       79.61534 124.7733       81.35807 255.1788       386.7276 63.75538 19.73959 101.7298 41.36205 -37.97445      45.83089 
1 1 1 12  17 34 o 69.62362 18.81385 153.8623       78.63036 158.4562       80.10812 32.78142       411.2669 70.61289 18.95025 88.77873 39.44559 -18.16584      43.76147 
1 1 1 12  17 35 o 198.2712 10.32199 1174.650       119.6122 1177.416       125.7192 1148.238       388.4976 198.3118 10.85077 176.5929 38.59204 21.71896       40.08847 
1 1 1 12  17 36 o 173.3593 10.72104 901.7549       108.4687 896.9736       112.1738 970.5653       425.5490 172.7451 11.13148 153.8208 44.59148 18.92439       45.95987 
1 1 1 12  17 37 o 238.4891 9.469357 1697.971       132.1830 1656.144       138.3600 2135.281       447.3810 235.2651 10.05089 247.1492 31.58604 -11.88405      33.14662 
1 1 1 12  17 38 o 219.8959 10.06973 1450.388       129.5183 1449.674       134.4954 1459.506       480.5506 219.6425 10.47112 185.8388 44.64993 33.80376       45.86132 
1 1 1 12  17 39 o 207.0497 10.11408 1288.854       122.4434 1324.054       126.7848 801.1183       471.9416 209.7488 10.33850 128.3437 47.41501 81.40518       48.52904 
1 1 1 12  17 40 o 37.66168 17.54200 -71.00385      94.43813 -49.09017      96.74482 -514.1749      435.0666 40.08233 18.33874 65.99908 32.42834 -25.91675      37.25462 
1 1 1 12  17 41 o 45.69615 20.13199 -7.359708      104.9452 -0.6569453     108.4751 -105.3495      414.7570 47.07779 20.61258 75.33058 35.61041 -28.25279      41.14584 
1 1 1 12  17 42 o 53.91388 25.02439 -84.07232      189.5897 0.1968632      209.7632 -460.0496      443.0734 61.76920 27.75482 66.41218 32.65002 -4.642979      42.85270 
1 1 1 12  17 43 o 51.42120 21.40372 43.76085       106.7826 7.798709       110.3726 569.7598       422.1151 47.97555 20.90292 106.2641 43.21029 -58.28856      48.00064 
1 1 1 12  17 44 o 103.9493 20.49931 366.1801       120.5289 404.0614       126.5280 -5.122193      396.1299 109.3308 20.48556 75.47619 35.40568 33.85462       40.90502 
1 1 1 12  17 45 o 120.5746 18.86047 482.1295       129.0028 500.6696       136.1467 319.2429       403.5469 122.3347 19.64061 89.42598 39.43450 32.90877       44.05489 
1 1 1 12  18 0  o 557.8876 13.93986 9163.335       456.0954 8889.425       623.2961 9479.056       669.1780 548.1212 19.42022 565.8246 20.19792 -17.70337      28.01965 
1 1 1 12  18 1  o 479.7850 12.51922 6776.708       351.9680 6747.572       484.2193 6809.347       512.4996 477.9006 17.30500 479.8875 18.24296 -1.986877      25.14495 
1 1 1 12  18 2  o 298.9995 9.968590 2629.954       174.5609 2633.239       223.9989 2624.874       278.5582 298.8768 12.80889 297.9636 15.99918 0.9132080      20.49491 
1 1 1 12  18 3  o 319.2096 10.27561 2997.793       192.1178 3130.326       252.7583 2816.469       295.6462 325.8466 13.25407 308.5984 16.39416 17.24814       21.08172 
1 1 1 12  18 4  o 389.7245 11.17559 4469.724       255.1702 4550.858       342.9702 4369.131       381.8892 392.7067 14.91860 384.4153 16.98084 8.291382       22.60339 
1 1 1 12  18 5  o 327.0182 9.079681 3144.179       173.9693 3178.968       207.6987 3062.390       318.4631 328.6465 10.79055 321.6808 16.94014 6.965637       20.08492 
1 1 1 12  18 6  o 499.9786 15.98253 7381.788       468.0468 7381.788       468.0468 0.000000       0.000000 499.9786 15.98253 ?        ?        0.000000       15.98253 
1 1 1 12  18 7  o 31.24425 13.64764 -10.30140      47.30692 -0.4700158     48.67568 -177.7751      200.8990 33.33279 14.19276 55.14719 25.65234 -21.81440      29.31684 
1 1 1 12  18 8  o 508.1799 10.11260 7592.902       301.3913 7570.924       352.3308 7652.854       581.9120 507.1941 11.84475 507.9732 19.56947 -0.7791443     22.87493 
1 1 1 12  18 9  o 290.6617 9.922197 2486.970       168.8920 2486.970       168.8920 0.000000       0.000000 290.6617 9.922197 ?        ?        0.000000       9.922197 
1 1 1 12  18 10 o 201.9205 9.887972 1201.844       116.7389 1201.844       116.7389 0.000000       0.000000 201.9205 9.887972 ?        ?        0.000000       9.887972 
1 1 1 12  18 11 o 86.40006 13.84097 225.6238       67.76765 225.6238       67.76765 0.000000       0.000000 86.40006 13.84097 ?        ?        0.000000       13.84097 
1 1 1 12  18 12 o 290.6450 7.794382 2483.871       132.7403 2440.946       164.8732 2562.958       223.7958 287.8954 9.779025 294.5354 12.98773 -6.639954      16.25763 
1 1 1 12  18 13 o 326.5927 9.087518 3139.213       173.8921 2989.261       247.5353 3285.315       244.3370 318.0229 13.30111 333.5731 12.51175 -15.55017      18.26098 
1 1 1 12  18 14 o 184.4947 8.132814 1002.503       87.78224 918.2889       118.3886 1105.342       130.8270 176.1588 11.52247 193.3283 11.59179 -17.16954      16.34432 
1 1 1 12  18 15 o 201.8898 6.856552 1198.794       81.06625 1127.599       117.4125 1263.650       112.0644 195.4251 10.28049 207.0376 9.252655 -11.61250      13.83113 
1 1 1 12  18 16 o 174.7934 7.647848 899.8118       78.21001 965.0724       130.2830 863.0436       97.79082 180.4209 12.38779 170.9375 9.795630 9.483383       15.79278 
1 1 1 12  18 17 o 179.8345 7.511487 952.3476       79.04824 996.4847       142.9873 932.9209       94.86266 183.1405 13.40545 177.8084 9.127422 5.332077       16.21777 
1 1 1 12  18 18 o 257.5765 6.549099 1950.556       98.85211 1806.832       158.2409 2042.540       126.5923 247.3168 10.93679 263.3919 8.205110 -16.07506      13.67250 
1 1 1 12  18 19 o 203.5375 6.794827 1218.786       80.99611 1165.932       146.6772 1241.974       97.15174 198.2595 12.68121 205.3287 8.083506 -7.069214      15.03849 
1 1 1 12  18 20 o 26.38804 12.49783 -61.53528      51.54566 -249.1831      132.8801 -28.29751      55.92474 37.35403 18.26361 31.69126 14.27759 5.662779       23.18208 
1 1 1 12  18 21 o 159.3831 8.056318 749.0562       75.06177 613.0723       160.0962 787.3713       84.98114 142.0246 19.75458 163.3208 8.905887 -21.29613      21.66929 
1 1 1 12  18 22 o 111.7663 11.10272 371.9458       71.81527 216.2157       167.3461 407.0996       79.50879 85.98159 28.48646 116.8757 11.75919 -30.89408      30.81813 
1 1 1 12  18 23 o 245.0315 7.990508 1767.696       114.6742 1695.653       282.4841 1781.910       125.4784 237.3333 20.49542 245.9228 8.713779 -8.589478      22.27089 
1 1 1 12  18 24 o 84.60726 31.10030 182.0070       202.6127 411.0742       241.1329 -368.1334      373.6902 114.1097 33.70275 72.09135 33.99485 42.01839       47.86987 
1 1 1 12  18 25 f 124.0497 10.58002 457.1167       76.23802 249.7722       225.0190 484.0043       81.03049 94.01762 32.99049 127.6175 10.93169 -33.59988      34.75448 
1 1 1 12  18 26 o 124.9179 10.27086 463.3663       74.58172 365.4988       227.4692 475.1546       78.94579 107.7398 32.94353 126.4333 10.74854 -18.69351      34.65266 
1 1 1 12  18 27 o 57.87088 18.26926 99.17473       69.33866 300.3427       230.6034 79.17920       72.70307 99.61262 33.44975 54.02518 18.76602 45.58744       38.35426 
1 1 1 12  18 28 o 110.1927 11.49452 363.1131       73.19284 286.7483       234.6161 371.3465       77.03760 97.93471 33.72611 111.3554 11.98462 -13.42067      35.79220 
1 1 1 12  18 29 o 55.92446 18.87406 88.53649       73.41605 -429.8848      240.2746 141.9210       77.10346 50.11584 24.51511 67.65111 18.77308 -17.53527      30.87749 
1 1 1 12  18 30 o 35.16084 15.78489 -30.07055      67.68143 -32.90893      68.46484 91.83203       448.6823 35.07157 15.79924 99.16204 42.67364 -64.09047      45.50446 
1 1 1 12  18 31 o 220.3006 17.88124 1472.997       229.0430 1415.214       261.1166 1665.813       476.9897 214.5369 21.02264 222.3335 37.94132 -7.796631      43.37620 
1 1 1 12  18 32 o 25.77165 12.70849 -147.0902      68.83636 -131.7309      69.87627 -651.6288      400.4902 27.00727 13.21309 64.30153 31.49539 -37.29426      34.15473 
1 1 1 12  18 33 o 195.1749 9.983660 1133.840       113.8987 1116.101       117.8614 1384.403       442.9706 193.5093 10.42378 196.5951 39.78681 -3.085846      41.12962 
1 1 1 12  18 34 o 51.28033 19.24621 64.09071       78.35324 85.97708       79.74071 -548.4716      421.8600 55.49346 19.62482 67.66473 32.96455 -12.17126      38.36398 
1 1 1 12  18 35 o 111.4714 14.58704 382.7115       93.07746 371.2975       95.34940 613.6957       428.9357 109.5302 15.25694 123.6510 45.28408 -14.12074      47.78517 
1 1 1 12  18 36 o 106.9272 15.11031 354.8440       92.11956 374.8786       94.54180 -21.17732      409.5808 109.9751 15.05276 83.03934 37.89398 26.93574       40.77425 
1 1 1 12  18 37 o 81.66042 19.73984 218.0664       93.48297 237.0590       95.55322 -206.0478      451.5377 85.26384 19.52942 78.12466 36.99792 7.139175       41.83593 
1 1 1 12  18 38 o 135.4267 13.35723 563.5421       104.7095 576.9081       108.1208 361.6946       420.1647 136.9016 13.64800 100.2826 42.14866 36.61904       44.30324 
1 1 1 12  18 39 o 48.83773 20.20746 34.98862       94.38473 28.55775       96.44025 181.0434       459.6016 48.38986 20.25608 90.95582 40.95801 -42.56596      45.69318 
1 1 1 12  18 40 o 145.3009 13.04195 650.2296       109.9566 621.9492       113.1301 1133.198       467.5148 141.6888 13.78840 151.0727 47.40406 -9.383911      49.36866 
1 1 1 12  18 41 o 138.3052 15.04336 600.9503       120.0572 631.1440       124.6613 214.6920       445.8748 141.6432 15.24652 89.02113 40.19113 52.62211       42.98585 
1 1 1 12  18 42 o 36.22671 17.38990 -129.9165      107.0153 -137.4597      111.2410 -36.25116      391.9902 36.72352 17.65468 75.17940 35.25170 -38.45588      39.42550 
1 1 1 12  18 43 o 54.09838 21.91677 64.39909       108.1290 59.87014       113.1037 112.5121       368.6459 54.20694 22.24299 79.21212 36.07146 -25.00518      42.37807 
1 1 1 12  18 44 o 91.16117 22.79057 292.5476       121.5101 272.2755       128.4226 465.7940       375.4259 87.03362 24.25675 98.92248 40.55040 -11.88886      47.25171 
1 1 1 12  19 0  o 285.7585 12.05989 2407.052       201.6580 2803.462       370.3694 2240.015       240.4197 306.9600 20.69418 275.2540 14.94923 31.70599       25.52898 
1 1 1 12  19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  19 2  o 365.6502 11.66191 3937.512       249.7641 4829.781       412.9208 3422.705       313.6469 403.9738 17.46992 340.2607 15.76013 63.71310       23.52828 
1 1 1 12  19 3  o 407.5957 11.29376 4890.810       269.7116 5084.846       373.9389 4680.408       389.3899 414.9195 15.39359 397.7916 16.72819 17.12787       22.73313 
1 1 1 12  19 4  o 318.0753 18.41312 3002.066       342.0168 3002.066       342.0168 0.000000       0.000000 318.0753 18.41312 ?        ?        0.000000       18.41312 
1 1 1 12  19 5  o 304.6347 8.806025 2729.127       157.1643 2718.228       187.5717 2754.809       287.9309 303.8370 10.54228 305.0410 16.15215 -1.203979      19.28812 
1 1 1 12  19 6  o 251.3999 8.650463 1859.289       127.3525 1825.944       146.3307 1963.411       258.5778 248.9931 10.04129 257.1541 17.24508 -8.161011      19.95546 
1 1 1 12  19 7  o 453.3993 9.574080 6043.858       254.5824 6138.576       303.2737 5817.854       468.4638 456.7013 11.32275 443.0090 18.06863 13.69232       21.32323 
1 1 1 12  19 8  o 219.9669 8.688091 1424.242       111.8606 1462.910       125.9743 1280.101       243.2207 222.8387 9.662161 206.7068 20.32557 16.13196       22.50525 
1 1 1 12  19 9  o 312.1272 9.846990 2868.348       180.0287 2868.348       180.0287 0.000000       0.000000 312.1272 9.846990 ?        ?        0.000000       9.846990 
1 1 1 12  19 10 o 404.7827 10.50911 4825.468       249.2707 4825.468       249.2707 0.000000       0.000000 404.7827 10.50911 ?        ?        0.000000       10.50911 
1 1 1 12  19 11 f 114.8453 9.955037 390.9796       66.38963 390.9796       66.38963 0.000000       0.000000 114.8453 9.955037 ?        ?        0.000000       9.955037 
1 1 1 12  19 12 o 265.1924 8.722906 2070.194       135.4819 2254.029       191.8439 1887.289       191.3578 276.2894 11.86717 252.5947 12.96062 23.69466       17.57292 
1 1 1 12  19 13 o 418.5405 7.207999 5147.071       176.9305 4950.082       251.4174 5340.344       249.0347 409.8696 10.46778 425.9397 9.969220 -16.07016      14.45544 
1 1 1 12  19 14 o 94.68340 9.393560 266.3849       51.47503 306.5478       62.21784 179.2549       91.64017 101.4687 10.61194 76.21114 20.18547 25.25752       22.80497 
1 1 1 12  19 15 o 251.5300 7.212787 1860.893       106.2906 1683.746       161.7904 1995.406       140.9836 238.6598 11.59376 260.2192 9.252740 -21.55939      14.83336 
1 1 1 12  19 16 o 172.8694 6.259077 878.9886       63.35217 1011.117       100.9279 793.0821       81.38168 185.0986 9.327372 163.9737 8.491491 21.12497       12.61369 
1 1 1 12  19 17 o 479.3297 7.645476 6755.492       214.9262 6663.058       311.5940 6839.383       296.8453 475.3138 11.17785 481.7224 10.50710 -6.408569      15.34090 
1 1 1 12  19 18 o 171.7402 6.617052 867.9578       66.52331 973.7354       122.4920 823.7092       79.22469 181.2920 11.58125 167.1481 8.105977 14.14391       14.13620 
1 1 1 12  19 19 o 209.4421 6.170649 1289.745       75.71319 1225.145       130.0619 1322.857       93.11737 203.5382 10.93581 211.9826 7.501795 -8.444351      13.26156 
1 1 1 12  19 20 o 29.40193 12.87331 -9.802484      42.30988 -80.89287      114.9944 1.327952       45.50167 43.30227 19.87957 32.47572 13.77090 10.82656       24.18336 
1 1 1 12  19 21 o 180.4855 14.23235 969.9731       149.4319 1004.778       160.2836 738.7321       413.1428 183.5584 15.02019 150.1274 44.05533 33.43094       46.54544 
1 1 1 12  19 22 o 298.8936 11.35025 2639.154       198.6016 2466.204       214.2255 3696.772       529.7558 288.6520 12.68551 348.6914 26.09427 -60.03934      29.01436 
1 1 1 12  19 23 o 420.7488 7.681431 5205.987       189.5464 5296.415       298.6116 5144.966       245.3008 423.3440 12.03938 417.8611 10.00959 5.482971       15.65690 
1 1 1 12  19 24 o 151.6119 8.259929 678.4079       73.16721 523.7119       221.6573 697.3248       77.51184 128.2732 30.00198 153.6719 8.635225 -25.39874      31.21996 
1 1 1 12  19 25 o 81.05715 14.54897 200.6883       66.62160 212.9392       67.77060 -151.4417      363.3362 83.59557 14.33917 79.65969 36.09180 3.935883       38.83594 
1 1 1 12  19 26 o 315.5821 9.208175 2938.281       170.2440 2970.943       186.8923 2779.062       412.6306 317.1465 10.06076 301.8934 23.49018 15.25317       25.55401 
1 1 1 12  19 27 o 176.6666 9.955594 924.3145       102.7333 925.4464       106.7409 910.0840       378.4714 176.7060 10.34506 164.5693 39.67905 12.13669       41.00546 
1 1 1 12  19 28 o 49.53573 17.85014 62.47495       66.28120 75.45763       67.12479 -444.3242      419.3905 52.36559 18.03942 73.72581 35.12664 -21.36022      39.48799 
1 1 1 12  19 29 o 194.5922 10.34492 1122.833       117.6359 1152.933       122.3479 754.4896       427.9984 197.1315 10.62177 146.9308 45.23750 50.20068       46.46777 
1 1 1 12  19 30 o 130.8577 12.88962 514.1340       97.63856 512.0043       99.95762 558.4404       455.9232 130.4997 13.24358 129.3255 46.78724 1.174210       48.62549 
1 1 1 12  19 31 o 147.3732 11.73999 649.5002       100.6316 671.7785       104.0820 330.1007       394.0960 149.8446 11.94235 108.5271 42.53239 41.31746       44.17719 
1 1 1 12  19 32 o 137.0404 11.96491 564.0489       95.19978 584.1758       97.62064 173.2727       430.1468 139.4570 12.05400 98.80929 42.13526 40.64767       43.82555 
1 1 1 12  19 33 o 51.69156 19.00367 68.41435       75.65498 80.13979       76.74812 -334.4269      449.8525 54.06248 19.23977 76.99641 36.59827 -22.93394      41.34733 
1 1 1 12  19 34 o 72.04749 19.23244 166.7573       82.78349 170.1050       84.15621 66.64548       460.2125 72.73209 19.38042 91.96864 41.23438 -19.23654      45.56177 
1 1 1 12  19 35 o 70.36530 20.54042 159.7688       90.01483 147.9467       91.75336 462.8933       464.6075 68.05482 20.94404 111.8574 45.38893 -43.80257      49.98808 
1 1 1 12  19 36 o 80.74628 20.24439 213.4534       95.67895 212.6328       97.72367 232.4516       470.1843 80.49150 20.61339 97.67818 42.83680 -17.18668      47.53844 
1 1 1 12  19 37 o 147.2699 12.72453 662.0256       108.8252 689.6254       112.2893 235.2942       441.5333 150.2633 12.86561 94.70518 41.52269 55.55812       43.47020 
1 1 1 12  19 38 o 120.4894 14.70445 452.1364       101.7578 454.1665       104.2618 411.3872       467.1112 120.5902 15.07031 103.1173 43.93832 17.47291       46.45095 
1 1 1 12  19 39 o 61.61502 21.85872 115.9767       98.99390 133.3717       101.2759 -257.0175      468.9702 64.74937 22.16325 75.17311 36.16742 -10.42374      42.41806 
1 1 1 12  19 40 f 45.12415 19.67258 0.9769620      97.88914 29.61927       100.5916 -510.6976      425.1623 48.97152 20.60532 64.41147 31.72818 -15.43995      37.83195 
1 1 1 12  19 41 o 146.7675 13.85546 670.6700       117.8503 682.9903       121.7413 487.1216       469.8979 147.9002 14.20984 101.7254 43.72244 46.17485       45.97359 
1 1 1 12  19 42 o 106.9096 17.96843 374.0801       108.6697 391.4742       112.5645 135.6994       416.7123 109.2695 18.20539 82.88389 37.97367 26.38557       42.11218 
1 1 1 12  19 43 o 45.79493 20.63839 -26.08748      116.9647 -17.66470      121.7002 -128.0434      423.4183 47.40571 21.23324 72.76621 34.83981 -25.36050      40.80028 
1 1 1 12  19 44 o 71.85777 24.08790 180.8243       119.5899 182.4624       123.8446 158.2043       460.1991 72.13380 24.51245 83.60622 38.86818 -11.47241      45.95210 
1 1 1 12  20 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  20 1  o 423.5196 9.440041 5272.910       234.4757 0.000000       0.000000 5272.910       234.4757 ?        ?        423.5196 9.440041 0.000000       9.440041 
1 1 1 12  20 2  o 399.7228 9.216965 4696.589       216.0714 0.000000       0.000000 4696.589       216.0714 ?        ?        399.7228 9.216965 0.000000       9.216965 
1 1 1 12  20 3  o 279.4267 7.295119 2294.654       119.4481 2408.036       318.2037 2276.056       128.8725 284.4312 19.18785 278.2376 7.905594 6.193634       20.75264 
1 1 1 12  20 4  o 167.7969 7.512708 828.6588       73.74425 948.6234       273.2393 819.2341       76.58625 175.9883 27.36202 166.8099 7.850525 9.178421       28.46596 
1 1 1 12  20 5  o 205.9476 7.131167 1247.161       86.00272 1489.306       292.5174 1224.249       89.97958 222.5199 22.73376 204.0123 7.533272 18.50766       23.94941 
1 1 1 12  20 6  o 524.8921 9.116041 8100.172       280.6253 8206.385       499.3365 8051.140       339.2719 526.6040 16.18731 522.9791 11.06148 3.624939       19.60575 
1 1 1 12  20 7  o 267.8506 6.992843 2108.594       109.7553 2078.104       269.3510 2114.665       120.1857 264.3359 17.47248 268.1765 7.649370 -3.840576      19.07355 
1 1 1 12  20 8  o 274.7212 12.07766 2228.302       194.1167 2308.500       278.9241 2152.973       270.3227 278.6800 17.14898 269.0779 17.22025 9.602081       24.30277 
1 1 1 12  20 9  o 375.8375 15.00783 4181.516       330.1370 4181.516       330.1370 0.000000       0.000000 375.8375 15.00783 ?        ?        0.000000       15.00783 
1 1 1 12  20 10 o 132.2127 28.52370 546.8821       214.6690 546.8821       214.6690 0.000000       0.000000 132.2127 28.52370 ?        ?        0.000000       28.52370 
1 1 1 12  20 11 o 334.2846 14.57574 3309.599       285.0706 3309.599       285.0706 0.000000       0.000000 334.2846 14.57574 ?        ?        0.000000       14.57574 
1 1 1 12  20 12 o 175.4810 20.32885 929.4561       205.3496 929.4561       205.3496 0.000000       0.000000 175.4810 20.32885 ?        ?        0.000000       20.32885 
1 1 1 12  20 13 o 61.28646 21.10421 102.5506       91.86746 91.74134       208.9053 105.1421       102.2890 76.15701 30.60143 63.06954 22.23384 13.08746       37.82580 
1 1 1 12  20 14 o 228.6870 13.99290 1552.464       186.7737 1595.518       229.6796 1468.409       320.9200 231.1730 17.06105 219.3298 25.41882 11.84326       30.61366 
1 1 1 12  20 15 o 406.4873 10.80081 4874.363       257.2579 4585.623       320.5969 5396.465       431.1052 393.4762 13.91472 425.7564 17.30124 -32.28027      22.20253 
1 1 1 12  20 16 o 307.5992 12.28860 2798.528       221.2397 2611.803       269.1117 3187.875       388.5984 296.3769 15.53664 325.9407 20.43158 -29.56384      25.66781 
1 1 1 12  20 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  20 18 o 134.2256 25.47797 561.0010       193.2290 706.4366       232.0775 232.3464       348.8730 150.4803 27.30197 102.6915 40.08417 47.78882       48.49885 
1 1 1 12  20 19 o 341.6517 12.49000 3452.401       249.8418 3570.580       307.0879 3221.023       429.6897 346.7678 15.13634 326.8257 22.55590 19.94211       27.16390 
1 1 1 12  20 20 o 47.80257 23.33924 -387.2928      214.7759 -299.1238      253.7840 -609.8119      403.1715 57.83676 27.49056 67.91276 32.88491 -10.07600      42.86197 
1 1 1 12  20 21 o 420.6656 12.76766 5233.458       314.6269 4722.582       375.9620 6427.388       574.7451 398.5772 16.11675 462.8555 21.22938 -64.27829      26.65401 
1 1 1 12  20 22 o 210.5669 7.971202 1306.032       98.26063 1310.858       100.8201 1214.589       438.8674 210.9328 8.165329 193.1523 40.05734 17.78050       40.88108 
1 1 1 12  20 23 o 129.1049 9.133732 493.3063       68.71142 492.8329       69.63191 510.8582       423.9817 129.0257 9.263640 129.3230 45.29190 -0.2972870     46.22955 
1 1 1 12  20 24 o 177.9960 15.50100 948.4010       160.2033 936.0159       171.8774 1030.394       442.2392 176.5069 16.80636 175.2658 43.28382 1.241058       46.43214 
1 1 1 12  20 25 o 139.6498 9.845961 578.0899       80.12282 598.4030       81.56687 19.59244       427.6969 142.0935 9.848838 95.05001 41.28330 47.04345       42.44185 
1 1 1 12  20 26 o 223.9134 9.585051 1482.087       125.5796 1526.275       131.4268 1018.374       425.7509 227.1747 9.888144 173.0058 42.31638 54.16898       43.45631 
1 1 1 12  20 27 o 164.4986 10.22276 802.5904       98.13628 851.1215       100.9404 -34.67796      419.2636 169.4203 10.20629 90.47830 40.03331 78.94196       41.31385 
1 1 1 12  20 28 o 154.5982 10.80180 710.5957       97.32175 722.8420       100.0350 493.9794       420.7219 155.8892 11.01259 124.5562 44.96056 31.33303       46.28962 
1 1 1 12  20 29 o 236.9954 16.69463 1693.990       230.5576 2048.860       279.1893 933.0434       408.8283 259.9821 18.43017 163.2864 42.34087 96.69565       46.17814 
1 1 1 12  20 30 o 108.2582 14.65201 356.7142       90.64103 371.8338       92.53282 -1.755173      450.5594 110.5723 14.62765 93.14510 41.34180 17.42719       43.85331 
1 1 1 12  20 31 o 77.39025 18.33414 189.2004       81.92803 219.0657       83.51200 -575.7709      422.6572 83.52572 17.60415 68.39250 33.24576 15.13322       37.61897 
1 1 1 12  20 32 o 103.3189 15.07393 328.5782       88.64948 327.7932       90.81495 344.4524       408.3838 103.0561 15.50563 106.8884 42.84234 -3.832214      45.56195 
1 1 1 12  20 33 o 46.09941 18.52849 35.48035       76.60663 37.48442       77.62584 -39.33797      474.3001 46.62936 18.68232 88.77573 40.61275 -42.14638      44.70374 
1 1 1 12  20 34 o 44.52109 18.27257 26.38079       76.35052 35.24693       77.30573 -325.7543      487.1910 46.08366 18.58100 78.72277 37.60471 -32.63911      41.94482 
1 1 1 12  20 35 o 85.69537 18.03303 235.5389       87.75681 218.6703       89.18101 751.0614       493.0117 82.22550 18.89097 129.7940 48.36573 -47.56852      51.92410 
1 1 1 12  20 36 o 122.0681 14.54501 461.1491       102.0820 472.3766       104.3865 215.2548       488.5131 123.4945 14.70096 96.35825 42.89136 27.13630       45.34079 
1 1 1 12  20 37 o 50.45047 20.39525 47.30157       93.41070 65.07019       95.20792 -410.0622      483.0334 53.31668 20.90224 73.11060 35.53966 -19.79392      41.23070 
1 1 1 12  20 38 o 55.41893 21.39985 77.07767       98.61440 131.4223       101.0523 -1008.638      451.6750 64.48128 22.13667 57.89111 29.14674 6.590172       36.60006 
1 1 1 12  20 39 o 78.66600 22.50069 211.7404       109.0394 195.5023       112.0943 497.5301       470.2620 75.65339 23.12475 104.7677 44.34123 -29.11436      50.00899 
1 1 1 12  20 40 o 75.18064 23.25336 194.8853       112.9337 173.3416       116.5847 522.7805       454.8291 71.49860 23.77955 104.4353 43.87094 -32.93673      49.90116 
1 1 1 12  20 41 o 183.4239 12.18230 1032.700       130.3069 1038.965       135.9487 961.8785       457.0715 183.6274 12.70198 132.9202 46.98681 50.70728       48.67341 
1 1 1 12  20 42 o 60.12219 23.01347 104.4559       113.3537 133.1754       118.2741 -219.3326      397.1289 64.67639 23.76371 68.36050 32.98809 -3.684105      40.65622 
1 1 1 12  20 43 o 112.9360 19.56091 426.5484       124.8695 466.8131       132.1176 89.49055       382.2528 118.0928 19.77448 78.28149 36.04988 39.81130       41.11720 
1 1 1 12  21 0  o 382.5477 8.713280 4301.855       195.4870 0.000000       0.000000 4301.855       195.4870 ?        ?        382.5477 8.713280 0.000000       8.713280 
1 1 1 12  21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  21 2  o 310.5740 8.061136 2836.388       146.7049 0.000000       0.000000 2836.388       146.7049 ?        ?        310.5740 8.061136 0.000000       8.061136 
1 1 1 12  21 3  o 209.7688 7.279721 1294.159       89.42263 1369.928       292.9849 1286.376       93.90329 212.8750 23.87881 209.1022 7.670228 3.772842       25.08047 
1 1 1 12  21 4  o 137.0770 8.593308 554.5305       68.73611 254.8268       264.9882 576.1508       71.17220 98.62102 35.67064 139.7200 8.729244 -41.09894      36.72321 
1 1 1 12  21 5  o 158.4073 7.964583 739.2885       73.75530 512.0939       269.0645 757.7469       76.69293 127.3947 34.96000 160.3571 8.181910 -32.96240      35.90467 
1 1 1 12  21 6  o 183.2047 7.648919 987.9805       82.00318 1104.980       246.0329 973.3587       86.97648 191.1945 22.36355 181.7917 8.178823 9.402771       23.81221 
1 1 1 12  21 7  f 371.3430 7.683927 4052.354       167.3436 3675.420       312.0770 4204.479       198.2568 352.2425 15.14206 378.1049 8.940571 -25.86240      17.58453 
1 1 1 12  21 8  o 351.9717 7.625607 3640.719       157.4102 3321.485       304.3812 3757.264       183.9127 334.6819 15.54977 357.4345 8.773337 -22.75262      17.85404 
1 1 1 12  21 9  o 367.1436 10.99754 3974.838       236.5333 3940.421       309.8569 4022.901       366.1678 364.7970 14.51199 367.9388 17.01498 -3.141876      22.36308 
1 1 1 12  21 10 o 373.4128 8.650712 4101.174       189.4487 3801.157       308.4850 4282.842       240.0491 358.1816 14.71655 381.1323 10.74999 -22.95068      18.22469 
1 1 1 12  21 11 o 233.8355 8.397223 1610.228       114.9717 0.000000       0.000000 1610.228       114.9717 ?        ?        233.8355 8.397223 0.000000       8.397223 
1 1 1 12  21 12 o 147.9900 25.81622 678.5350       215.9214 678.5350       215.9214 0.000000       0.000000 147.9900 25.81622 ?        ?        0.000000       25.81622 
1 1 1 12  21 13 o 369.4988 10.78408 4028.117       233.4435 3904.436       299.0818 4220.946       373.4421 362.9976 14.07536 376.5765 16.95253 -13.57895      22.03415 
1 1 1 12  21 14 o 225.1451 14.68578 1507.501       192.8561 1598.449       244.5025 1357.745       313.7457 231.0221 18.19264 210.4696 25.96788 20.55249       31.70651 
1 1 1 12  21 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  21 16 o 60.51472 27.10078 -76.17480      198.1740 -350.7559      237.6991 549.7617       358.8867 53.05954 25.58375 131.4118 41.57351 -78.35226      48.81480 
1 1 1 12  21 17 o 346.0467 11.82914 3538.828       239.7173 3223.259       290.5332 4211.826       424.2822 329.4353 15.07746 375.1983 19.34695 -45.76297      24.52823 
1 1 1 12  21 18 o 109.3280 30.63333 376.8053       204.2326 250.5868       240.8191 700.1324       385.4342 95.54118 34.07239 146.3902 42.43782 -50.84904      54.42331 
1 1 1 12  21 19 o 107.4390 32.41010 359.9950       221.1804 273.0871       253.8671 633.8015       450.6076 98.91693 35.01293 141.1319 46.74395 -42.21497      58.40293 
1 1 1 12  21 20 o 353.3686 13.72652 3699.699       283.9305 3759.382       347.2293 3579.269       493.2427 355.3367 16.70874 343.6650 24.63574 11.67169       29.76746 
1 1 1 12  21 21 o 52.18784 25.05265 -307.1587      222.1519 -146.6074      252.2243 -862.5795      469.1277 64.99854 29.69008 69.00161 33.85712 -4.003075      45.03116 
1 1 1 12  21 22 o 157.9228 23.36103 766.8481       209.8459 921.4354       238.5526 238.0053       441.2255 173.1346 24.14988 110.0501 44.38431 63.08447       50.52903 
1 1 1 12  21 23 o 367.1163 12.32347 3990.379       264.9544 3999.102       315.2135 3969.379       489.0933 366.7819 14.68334 361.7953 23.17220 4.986572       27.43268 
1 1 1 12  21 24 o 61.54251 26.96055 -28.93856      185.8017 -64.39165      214.9718 75.75454       369.4141 63.78657 28.41904 92.52824 39.23673 -28.74166      48.44753 
1 1 1 12  21 25 o 247.9077 7.959142 1811.819       115.5696 1840.663       120.7176 1495.103       400.0130 249.8260 8.250468 216.2481 32.54890 33.57788       33.57828 
1 1 1 12  21 26 o 72.25266 14.37140 160.6779       58.75415 173.1082       59.46869 -347.2798      380.1570 75.13148 14.01163 72.54747 34.23363 2.584015       36.99010 
1 1 1 12  21 27 o 48.61418 22.47006 -111.1140      150.4825 18.28282       164.1857 -790.6642      376.2568 61.55723 26.13293 58.88238 29.15916 2.674854       39.15593 
1 1 1 12  21 28 o 78.62312 18.30881 193.5331       82.84235 219.0954       84.34031 -506.9731      441.5106 83.84251 17.70831 73.69833 35.36287 10.14417       39.54891 
1 1 1 12  21 29 o 185.9184 10.48678 1027.299       113.8809 1019.688       117.6298 1141.020       454.7020 185.1317 10.88192 178.7053 43.74424 6.426468       45.07743 
1 1 1 12  21 30 o 70.49352 19.61703 156.4770       84.06230 162.3078       85.74011 11.85242       427.0139 71.72845 19.75514 90.79375 40.27541 -19.06531      44.85949 
1 1 1 12  21 31 o 91.33117 17.19245 261.3452       88.71066 273.2257       90.91422 25.13674       405.3799 93.42206 17.22782 88.13718 39.16130 5.284874       42.78324 
1 1 1 12  21 32 o 273.1530 9.690545 2221.409       154.9945 2177.131       162.1755 2688.440       526.6974 270.1703 10.25383 280.2026 32.66253 -10.03226      34.23421 
1 1 1 12  21 33 o 114.1449 13.90371 399.4937       91.15803 414.3638       92.77676 -15.52062      490.1331 116.2861 13.87738 89.85054 41.17214 26.43561       43.44798 
1 1 1 12  21 34 o 50.51965 19.37848 59.40589       80.48669 57.11807       81.54989 145.4344       500.0734 50.31934 19.45244 95.88279 42.98666 -45.56345      47.18316 
1 1 1 12  21 35 o 54.56607 20.03160 80.77798       84.01210 66.09208       85.19940 596.7125       504.9908 52.23135 19.96202 117.4775 47.44647 -65.24617      51.47475 
1 1 1 12  21 36 o 186.2159 10.92462 1046.689       118.7850 1032.173       122.1655 1298.155       508.4600 184.7170 11.33147 165.6307 48.94548 19.08636       50.24005 
1 1 1 12  21 37 o 78.39733 20.51719 204.8989       95.41164 165.6780       97.69154 1015.888       444.2281 70.70375 21.58346 146.9661 46.22140 -76.26237      51.01239 
1 1 1 12  21 38 o 86.52455 21.04914 252.2519       105.7778 250.9736       108.6681 275.3275       461.6999 86.06627 21.57295 93.97349 41.77162 -7.907219      47.01340 
1 1 1 12  21 39 o 62.40015 22.65127 119.2663       106.9796 112.5415       109.9658 238.0677       462.1966 61.59987 22.86366 90.77293 40.95678 -29.17305      46.90634 
1 1 1 12  21 40 o 40.86985 18.88713 -61.36332      106.2484 -64.12282      110.0194 -23.16614      409.3259 41.46350 19.18187 76.76347 36.00350 -35.29997      40.79456 
1 1 1 12  21 41 o 48.32283 20.36735 30.27653       98.55083 70.84161       101.0038 -774.5787      449.9046 54.06429 21.42569 59.87802 30.00026 -5.813736      36.86565 
1 1 1 12  21 42 o 106.4603 18.00454 372.9059       108.4103 314.8259       112.7438 1085.153       394.8161 96.03839 20.63235 149.4202 42.84019 -53.38184      47.54971 
1 1 1 12  21 43 o 67.75378 24.40566 154.4301       123.8908 198.1722       130.3260 -255.9727      399.1964 74.50159 25.14695 66.68580 32.39167 7.815788       41.00719 
1 1 1 12  22 0  o 454.6970 10.00338 6084.913       266.7592 0.000000       0.000000 6084.913       266.7592 ?        ?        454.6970 10.00338 0.000000       10.00338 
1 1 1 12  22 1  o 756.6528 11.99981 16877.44       532.5024 16810.28       882.5703 16915.88       667.7370 751.3572 20.04659 756.3729 15.05286 -5.015686      25.06899 
1 1 1 12  22 2  o 211.3035 12.97367 1322.294       160.0005 902.1251       312.2336 1471.918       186.3236 169.5303 32.58735 222.7472 14.33897 -53.21693      35.60255 
1 1 1 12  22 3  o 157.4801 8.658115 731.4505       79.65722 0.000000       0.000000 731.4505       79.65722 ?        ?        157.4801 8.658115 0.000000       8.658115 
1 1 1 12  22 4  f 401.6098 7.900050 4740.851       186.0735 6246.902       469.1225 4459.676       202.7003 458.5829 17.47484 389.3976 8.875865 69.18536       19.59977 
1 1 1 12  22 5  o 75.36812 14.95269 173.8083       63.75940 519.0120       299.7278 157.4469       65.25289 128.1257 37.50380 71.54029 15.95853 56.58537       40.75794 
1 1 1 12  22 6  o 228.5468 7.282436 1536.446       97.48723 1452.212       264.8361 1549.649       104.8493 219.7390 20.79788 229.4754 7.802088 -9.736420      22.21316 
1 1 1 12  22 7  o 174.4126 7.825019 896.0165       79.83741 983.7324       259.3196 886.8317       83.91328 179.2092 25.38265 173.4690 8.272018 5.740189       26.69654 
1 1 1 12  22 8  o 176.9622 7.707730 922.3022       79.80219 1135.518       247.4063 897.5428       84.30842 193.6193 22.18806 174.5093 8.261077 19.11002       23.67605 
1 1 1 12  22 9  o 136.8416 8.425831 552.8593       67.29304 993.8755       228.9355 511.1519       70.40315 180.9667 22.02366 131.4705 9.188743 49.49623       23.86367 
1 1 1 12  22 10 o 220.9577 7.885682 1437.453       102.0239 1246.094       234.8153 1481.984       113.2745 203.4183 19.93859 224.2702 8.628214 -20.85190      21.72541 
1 1 1 12  22 11 o 440.8710 14.46174 5760.230       373.4174 5760.230       373.4174 0.000000       0.000000 440.8710 14.46174 ?        ?        0.000000       14.46174 
1 1 1 12  22 12 o 655.5457 17.69675 12794.51       679.7507 12794.51       679.7507 0.000000       0.000000 655.5457 17.69675 ?        ?        0.000000       17.69675 
1 1 1 12  22 13 o 63.81486 26.91311 20.82936       172.2410 31.84529       216.4649 1.817901       284.3708 71.68634 30.19848 78.81674 33.94611 -7.130402      45.43442 
1 1 1 12  22 14 o 422.5747 11.32952 5272.273       280.5262 5266.745       373.4008 5279.437       425.0455 421.2283 15.13959 420.9783 17.25227 0.2499390      22.95317 
1 1 1 12  22 15 o 335.9044 12.17792 3336.453       239.5079 3185.911       302.3062 3590.259       392.5256 327.2958 15.79574 346.2814 19.40570 -18.98560      25.02172 
1 1 1 12  22 16 o 73.74992 30.32689 64.96510       210.8349 71.58497       260.6114 52.42566       358.6804 80.87680 33.53155 90.94722 38.61831 -10.07042      51.14430 
1 1 1 12  22 17 o 246.1275 16.15783 1805.631       231.9451 1562.058       271.7465 2459.266       445.1615 227.6754 20.57332 283.5868 27.09488 -55.91145      34.02050 
1 1 1 12  22 18 o 193.4558 21.36489 1133.531       238.3668 1028.380       278.5811 1420.926       460.5576 182.4796 26.83122 210.1293 38.80106 -27.64980      47.17453 
1 1 1 12  22 19 o 241.9805 18.59671 1755.206       261.8940 1810.105       319.3078 1642.365       457.7871 244.5417 22.51678 227.7103 35.43114 16.83145       41.98061 
1 1 1 12  22 20 o 51.93027 24.74383 -257.4792      208.1758 -217.0724      231.8847 -425.3181      472.5971 57.97203 27.16067 81.68204 38.42841 -23.71002      47.05788 
1 1 1 12  22 21 o 205.7360 19.41117 1276.637       231.4453 1321.272       266.2676 1138.685       468.1106 208.4902 22.11298 184.5316 43.89603 23.95856       49.15125 
1 1 1 12  22 22 o 235.2802 16.67838 1656.938       228.6469 1701.615       261.8970 1513.734       468.8788 237.7571 18.93861 215.7652 38.46422 21.99193       42.87385 
1 1 1 12  22 23 o 415.2696 12.56168 5111.207       305.5827 5215.539       370.6877 4889.926       539.8458 418.4928 15.12811 401.1650 23.04237 17.32785       27.56466 
1 1 1 12  22 24 o 172.4752 22.17619 914.8243       219.1331 999.5787       249.4477 628.3132       458.6372 179.6011 24.30532 137.6128 47.16269 41.98828       53.05722 
1 1 1 12  22 25 o 235.4450 16.59030 1666.078       227.6170 1618.243       264.2183 1803.748       448.2391 230.8800 19.70114 236.9049 33.16924 -6.024902      38.57892 
1 1 1 12  22 26 o 317.7919 13.44039 3008.271       249.9329 3009.333       297.8934 3005.745       459.3260 316.7876 16.08667 311.5730 25.35585 5.214630       30.02832 
1 1 1 12  22 27 o 218.3599 17.24788 1441.303       219.0889 1471.453       252.8588 1350.501       438.8203 219.5982 19.84759 199.9358 38.82356 19.66238       43.60270 
1 1 1 12  22 28 o 89.07050 14.94001 243.5283       75.28245 243.5283       75.28245 0.000000       0.000000 89.07050 14.94001 ?        ?        0.000000       14.94001 
1 1 1 12  22 29 o 76.79085 17.97112 185.6620       79.49290 179.8622       81.09911 327.7468       401.4028 75.50486 18.46921 108.0105 42.74179 -32.50565      46.56149 
1 1 1 12  22 30 o 152.2715 11.96323 696.2729       105.9787 728.9420       108.9068 113.1304       460.1234 155.8086 12.01091 96.87827 42.43402 58.93037       44.10111 
1 1 1 12  22 31 o 84.64053 17.77197 227.1478       85.40594 238.2874       86.81399 -107.9275      476.1316 86.77159 17.66063 86.76064 40.05470 0.1095581E-01  43.77530 
1 1 1 12  22 32 o 121.2882 13.68084 449.5858       95.61943 459.4160       97.82207 238.6465       453.1446 122.5608 13.85173 99.62927 42.88013 22.93150       45.06191 
1 1 1 12  22 33 o 110.0790 15.31988 376.2205       96.22689 372.2505       97.88570 490.3855       524.9167 109.3325 15.71691 113.8844 47.43357 -4.551865      49.96964 
1 1 1 12  22 34 o 109.1699 15.41455 371.5111       95.94943 377.6190       97.76096 211.2679       500.7364 110.0064 15.58911 97.64874 43.44772 12.35763       46.15977 
1 1 1 12  22 35 o 229.0487 10.43659 1577.193       139.8281 1613.179       145.5235 1144.258       504.7511 231.4801 10.74871 154.3119 49.35967 77.16823       50.51645 
1 1 1 12  22 36 o 106.1853 17.31688 360.4325       104.1280 404.0648       107.0572 -404.3504      448.2093 112.8687 16.67439 70.31892 34.19446 42.54976       38.04335 
1 1 1 12  22 37 o 117.1031 15.89190 433.1529       106.3288 414.3102       108.9034 817.5907       491.9060 114.0326 16.78572 125.5142 47.96637 -11.48164      50.81863 
1 1 1 12  22 38 o 86.06277 21.57901 252.4056       108.7040 244.2285       112.7356 360.6354       410.1447 84.26965 22.42034 96.12415 41.07141 -11.85449      46.79244 
1 1 1 12  22 39 o 112.7433 18.74271 417.2043       119.5798 403.4283       123.9549 602.0853       454.0958 110.0881 19.93239 108.4904 44.54855 1.597725       48.80444 
1 1 1 12  22 40 o 39.73476 18.82132 -108.1225      116.9692 -142.0243      121.1478 358.0533       449.2401 38.54298 18.50199 94.08929 41.54409 -55.54631      45.47785 
1 1 1 12  22 41 o 55.71724 23.15710 60.27024       124.7255 63.11457       132.3161 37.59205       373.6176 57.00512 23.78446 75.78590 35.16018 -18.78078      42.44925 
1 1 1 12  22 42 o 48.19541 21.34292 -3.516313      119.4143 -77.08857      127.5683 517.4255       339.4536 43.73727 20.37731 103.4429 39.76662 -59.70561      44.68354 
1 1 1 12  23 0  o 462.0628 16.60540 6338.964       449.2562 6338.964       449.2562 0.000000       0.000000 462.0628 16.60540 ?        ?        0.000000       16.60540 
1 1 1 12  23 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  23 2  o 329.7356 11.50210 3209.421       222.0895 4022.475       396.7268 2838.333       268.0218 367.3571 18.47347 309.3775 14.81477 57.97968       23.68009 
1 1 1 12  23 3  o 218.4663 7.542560 1404.520       96.49435 2045.658       347.1199 1350.826       100.4537 260.3417 22.96984 214.1956 8.010705 46.14604       24.32664 
1 1 1 12  23 4  o 223.7289 7.662581 1473.141       100.3936 1379.675       325.5501 1482.964       105.5372 212.2124 26.75068 224.4344 8.030941 -12.22202      27.93017 
1 1 1 12  23 5  o 79.99038 14.62402 195.1401       66.07758 -505.8786      285.9118 234.6961       67.91625 55.27984 26.97653 88.11375 13.57808 -32.83390      30.20095 
1 1 1 12  23 6  o 112.5883 10.32260 376.5437       67.40268 433.3098       266.3949 372.6611       69.66962 117.5053 35.59514 111.9413 10.74388 5.563950       37.18125 
1 1 1 12  23 7  o 183.1437 7.733757 987.9644       82.88087 1190.605       256.9257 964.4279       87.56194 198.0632 22.51766 180.8862 8.275830 17.17705       23.99030 
1 1 1 12  23 8  o 257.4601 7.341578 1950.125       110.7404 1962.066       260.3451 1947.488       122.3618 256.3259 17.42189 257.1917 8.122383 -0.8657532     19.22226 
1 1 1 12  23 9  o 69.11391 15.60283 147.1876       61.74066 811.4068       229.4606 95.34631       64.10478 162.3145 24.89804 56.67237 17.51780 105.6421       30.44315 
1 1 1 12  23 10 o 197.6732 8.388221 1151.681       97.02415 980.4213       243.8913 1183.880       105.7525 179.0250 23.81960 200.3430 9.023642 -21.31804      25.47154 
1 1 1 12  23 11 o 272.8509 16.72142 2220.392       266.2921 2220.392       266.2921 0.000000       0.000000 272.8509 16.72142 ?        ?        0.000000       16.72142 
1 1 1 12  23 12 o 278.7713 16.19931 2315.171       263.7061 2315.171       263.7061 0.000000       0.000000 278.7713 16.19931 ?        ?        0.000000       16.19931 
1 1 1 12  23 13 o 217.3259 19.78266 1422.078       249.3821 1422.078       249.3821 0.000000       0.000000 217.3259 19.78266 ?        ?        0.000000       19.78266 
1 1 1 12  23 14 o 550.4154 11.78650 8943.044       380.4749 8258.725       474.9434 10168.92       635.6750 527.5013 15.36848 583.7814 18.59039 -56.28009      24.12038 
1 1 1 12  23 15 o 118.5100 35.58792 443.9674       267.1222 443.9674       267.1222 0.000000       0.000000 118.5100 35.58792 ?        ?        0.000000       35.58792 
1 1 1 12  23 16 o 343.6702 14.11236 3501.656       283.8358 3538.336       356.8223 3438.458       468.3653 344.3888 17.72622 337.1661 23.83963 7.222626       29.70769 
1 1 1 12  23 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  23 18 o 44.09234 21.98817 -584.2082      229.3022 -633.5004      271.9432 -462.9485      426.5279 49.39701 24.51889 75.21722 35.71927 -25.82021      43.32485 
1 1 1 12  23 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  23 20 o 146.4936 28.00089 675.5884       231.8032 907.1972       266.7906 -37.81330      468.2310 170.4599 27.63210 96.64179 42.55243 73.81815       50.73698 
1 1 1 12  23 21 o 65.25028 28.41027 -20.09238      203.5988 -190.9228      221.1053 932.3315       522.0735 57.31208 26.74350 164.4939 49.83056 -107.1818      56.55351 
1 1 1 12  23 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  23 23 o 88.74892 32.55232 211.9634       221.7819 179.9579       252.5742 319.7413       463.4915 88.26089 34.20294 114.9676 45.78830 -26.70675      57.15251 
1 1 1 12  23 24 o 313.6709 13.62321 2930.123       250.0158 2823.291       292.9983 3216.235       479.4917 306.8575 16.33978 322.5974 25.55225 -15.73990      30.32995 
1 1 1 12  23 25 o 198.6030 18.30054 1196.152       210.7618 1150.184       249.7617 1309.843       392.7898 193.1219 22.47099 199.9740 34.75224 -6.852036      41.38434 
1 1 1 12  23 26 o 46.18964 22.54701 -347.9440      200.1408 -376.4111      233.8657 -270.0387      386.8820 50.80468 24.70399 75.76799 35.36231 -24.96331      43.13676 
1 1 1 12  23 27 o 113.7749 30.97880 427.8523       212.2316 437.6571       239.9423 392.6065       454.9261 114.6138 33.55751 116.4547 45.67994 -1.840843      56.68124 
1 1 1 12  23 28 o 57.52076 26.31565 -104.7980      199.1715 -45.74714      225.2792 -316.1883      426.2362 65.39067 29.11563 77.18416 36.36873 -11.79349      46.58760 
1 1 1 12  23 29 o 54.39806 25.66586 -196.5900      213.5513 -129.2274      242.6276 -428.1952      449.8885 62.33562 28.71175 74.85204 35.85820 -12.51642      45.93665 
1 1 1 12  23 30 o 225.7623 17.07392 1565.340       224.3902 1436.536       249.5465 2109.304       512.8276 214.3879 20.08097 243.9254 37.00825 -29.53752      42.10529 
1 1 1 12  23 31 o 114.0040 13.44488 397.1180       88.16637 383.0010       89.82240 769.4131       461.2710 111.7416 14.01363 135.4663 47.25562 -23.72468      49.28971 
1 1 1 12  23 32 o 129.1668 14.53244 513.0234       108.1800 526.7407       110.6551 216.6414       514.3557 130.8434 14.67260 100.0573 44.30311 30.78604       46.66959 
1 1 1 12  23 33 o 35.90948 16.94925 -93.74821      93.29623 -92.37753      95.33965 -124.6999      453.0515 36.53222 17.20967 81.50898 38.11555 -44.97676      41.82067 
1 1 1 12  23 34 o 208.5381 10.91471 1310.209       133.0252 1294.706       137.6055 1531.527       519.9183 207.0604 11.37522 185.7680 47.53173 21.29247       48.87392 
1 1 1 12  23 35 f 80.20943 20.03009 213.2107       93.93385 185.0293       95.96600 857.5644       458.8796 74.54391 21.03820 133.1451 47.07843 -58.60120      51.56534 
1 1 1 12  23 36 o 45.03871 19.62688 -0.6071382     97.34550 7.962450       99.50163 -191.9389      470.1579 46.44087 20.04149 77.26906 36.91883 -30.82819      42.00787 
1 1 1 12  23 37 o 54.71761 21.65724 69.97561       103.0775 92.89742       106.7332 -247.5536      397.2528 58.47070 22.34367 69.41656 33.36940 -10.94586      40.15914 
1 1 1 12  23 38 o 105.8658 19.84221 372.7636       118.6706 350.4435       122.9745 674.9922       452.5165 101.6802 21.30494 113.7297 45.26011 -12.04959      50.02378 
1 1 1 12  23 39 o 48.39380 21.10636 7.314387       112.7729 13.28297       116.3949 -84.13432      455.6035 49.64172 21.54889 77.00543 36.66743 -27.36371      42.53064 
1 1 1 12  23 40 o 66.54017 24.06302 144.8982       120.5816 128.9907       127.0296 289.7635       383.3419 64.63862 24.45198 88.49915 38.74876 -23.86053      45.81883 
1 1 1 12  23 41 o 35.63216 17.42290 -194.1206      120.9887 -215.5430      130.3132 -60.29669      325.7028 36.53846 17.91110 68.32009 32.06645 -31.78163      36.72961 
1 1 1 12  24 0  o 464.9089 16.86480 6428.580       459.0706 6428.580       459.0706 0.000000       0.000000 464.9089 16.86480 ?        ?        0.000000       16.86480 
1 1 1 12  24 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24 2  o 297.5488 7.327762 2602.600       127.8734 3409.264       359.6306 2485.854       136.8142 337.9391 18.21274 290.6164 8.034844 47.32275       19.90634 
1 1 1 12  24 3  o 142.6201 9.163163 601.2120       76.23821 460.1515       287.4556 611.8849       79.06981 120.8223 37.05050 143.8530 9.424086 -23.03079      38.23026 
1 1 1 12  24 4  o 135.4913 9.448380 543.1502       74.60870 893.3022       308.5917 521.4119       76.88978 167.9539 32.50388 132.6729 9.954382 35.28105       33.99400 
1 1 1 12  24 5  o 262.4266 7.428694 2026.302       114.2178 1830.916       298.6296 2059.782       123.6168 246.5491 20.84802 264.5193 7.977484 -17.97020      22.32220 
1 1 1 12  24 6  o 191.6408 7.863333 1081.900       88.19051 1209.953       271.9774 1066.854       93.22768 199.2026 23.74730 190.2426 8.376307 8.960022       25.18127 
1 1 1 12  24 7  o 308.7394 7.404581 2802.476       134.0735 2991.338       310.5709 2759.217       148.6375 316.8408 16.77333 306.1354 8.286359 10.70538       18.70851 
1 1 1 12  24 8  o 480.8747 8.631709 6805.371       243.4329 6588.797       415.7107 6918.391       300.3072 471.1962 15.06250 484.4155 10.57054 -13.21930      18.40150 
1 1 1 12  24 9  o 326.9449 7.492850 3143.066       143.6720 3577.539       321.4034 3034.568       160.6124 346.8286 15.84285 321.0097 8.538785 25.81891       17.99741 
1 1 1 12  24 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24 11 o 266.6093 18.15522 2127.018       282.1814 2127.018       282.1814 0.000000       0.000000 266.6093 18.15522 ?        ?        0.000000       18.15522 
1 1 1 12  24 12 o 535.6620 16.11253 8526.842       505.6047 8526.842       505.6047 0.000000       0.000000 535.6620 16.11253 ?        ?        0.000000       16.11253 
1 1 1 12  24 13 o 246.1572 20.00951 1822.029       286.3789 1822.029       286.3789 0.000000       0.000000 246.1572 20.00951 ?        ?        0.000000       20.00951 
1 1 1 12  24 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24 16 o 390.2451 13.17243 4508.329       301.0446 3940.836       368.0022 5656.389       523.4231 363.5668 17.30871 434.2873 20.60944 -70.72052      26.91357 
1 1 1 12  24 17 o 321.5705 13.84650 3066.931       260.5240 2878.952       306.5050 3556.283       494.5306 310.6827 16.88516 342.1940 24.81018 -31.51132      30.01089 
1 1 1 12  24 18 o 129.4748 31.53544 536.6679       237.2074 477.1222       273.0947 719.6206       478.6934 122.0264 35.82083 147.8443 48.13714 -25.81786      60.00263 
1 1 1 12  24 19 o 339.6361 14.16483 3426.589       281.5279 3327.210       335.1806 3664.638       518.7577 333.6557 17.18683 346.2586 25.72932 -12.60287      30.94164 
1 1 1 12  24 20 o 275.0879 16.12851 2261.062       259.0639 2175.864       296.3994 2536.778       533.2068 268.9011 18.91532 283.6795 32.64358 -14.77841      37.72788 
1 1 1 12  24 21 o 259.4989 15.98703 2015.136       242.1253 2054.795       275.3902 1880.078       508.1994 261.3245 18.08021 240.3992 37.24960 20.92534       41.40563 
1 1 1 12  24 22 f 180.5933 21.63042 1000.485       224.5437 950.7169       253.2841 1183.203       485.3177 174.5193 25.49923 184.7617 45.17240 -10.24242      51.87250 
1 1 1 12  24 23 o 170.0316 21.35356 888.9601       208.2524 741.2014       228.7397 1604.733       503.4457 153.1648 26.41840 218.2282 40.83676 -65.06335      48.63716 
1 1 1 12  24 24 o 90.21801 31.35595 240.5143       202.9920 310.1455       226.8296 -39.52045      454.8871 99.76612 33.16867 93.16901 41.43530 6.597115       53.07584 
1 1 1 12  24 25 o 134.2349 28.87037 584.2271       220.5295 747.3936       251.6849 44.85041       457.6019 152.0806 29.28079 97.00378 42.40737 55.07684       51.53397 
1 1 1 12  24 26 o 190.5821 21.65605 1124.458       237.7665 1084.276       277.2578 1236.146       462.2423 184.8569 26.31634 186.7313 43.08476 -1.874451      50.48610 
1 1 1 12  24 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  24 28 o 92.75489 31.45592 277.0757       203.9328 185.2388       232.8343 579.6429       422.6191 84.38872 32.80125 125.7625 45.10395 -41.37379      55.76996 
1 1 1 12  24 29 f 84.27117 31.29910 210.6557       206.1403 137.3363       232.6804 478.1755       444.4555 79.12077 32.11510 116.0276 45.25659 -36.90685      55.49360 
1 1 1 12  24 30 o 50.37814 23.91800 -190.3012      191.0233 -266.4290      205.9538 278.3798       511.0185 49.35831 23.80288 104.4714 45.25171 -55.11309      51.13017 
1 1 1 12  24 31 o 85.01762 31.06249 230.5216       201.6450 155.9568       219.2941 638.6210       513.0302 78.41292 31.40620 122.9449 48.42350 -44.53195      57.71642 
1 1 1 12  24 32 o 140.9769 14.92429 612.9309       121.5219 613.5870       125.9181 604.0237       463.9477 140.7830 15.50717 119.5433 46.34743 21.23974       48.87287 
1 1 1 12  24 33 o 85.75355 19.16945 239.7180       93.98197 236.1232       95.73663 335.0990       493.1413 84.92797 19.61636 101.8893 44.29092 -16.96136      48.44055 
1 1 1 12  24 34 o 62.00800 22.64158 112.5115       107.1097 86.81873       110.5362 507.7570       433.5432 58.53945 22.64261 108.9048 43.96997 -50.36538      49.45752 
1 1 1 12  24 35 o 189.3474 12.31523 1093.531       136.0159 1110.930       141.3632 876.5122       499.2565 190.6107 12.71833 130.0366 48.62814 60.57416       50.26382 
1 1 1 12  24 36 o 67.57079 23.89063 146.3517       118.1692 126.2659       123.2606 374.5276       415.4459 64.91450 24.18475 97.62827 41.51267 -32.71378      48.04377 
1 1 1 12  24 37 o 36.75311 17.65202 -135.8803      110.6002 -112.9349      114.3484 -468.7738      435.5460 39.00842 18.51575 65.90545 32.39506 -26.89703      37.31318 
1 1 1 12  24 38 o 83.71338 23.73815 247.1798       121.8839 246.0192       126.5538 262.0409       452.8507 83.24905 24.37014 90.03188 40.58889 -6.782837      47.34302 
1 1 1 12  24 39 o 51.28185 22.54388 7.021528       130.9378 46.14158       138.2924 -331.6990      406.9298 56.12936 23.91178 66.02825 32.21332 -9.898895      40.11821 
1 1 1 12  24 40 o 39.11098 18.81809 -150.2429      126.9956 -126.3837      132.9887 -397.2058      427.8614 41.63870 19.82230 65.42927 32.15043 -23.79057      37.77001 
1 1 1 12  24 41 o 55.26422 23.63418 44.33346       136.0322 50.38284       144.5153 -2.703024      402.9731 56.94834 24.35731 74.99126 35.34371 -18.04292      42.92385 
1 1 1 12  25 0  o 357.3023 7.784043 3754.671       163.1141 5088.646       427.7642 3527.705       176.4456 413.0720 17.69848 346.0999 8.699680 66.97211       19.72107 
1 1 1 12  25 1  o 308.8063 11.34689 2817.616       205.1514 3299.522       366.2604 2597.302       247.6453 332.0593 18.88505 295.8029 14.31755 36.25632       23.69889 
1 1 1 12  25 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  25 3  o 298.2000 7.436719 2614.643       130.0587 3125.093       342.4414 2528.600       140.5935 323.3739 18.12897 293.0551 8.188255 30.31879       19.89239 
1 1 1 12  25 4  o 224.9720 7.632555 1490.098       100.5587 1419.781       297.8285 1499.146       106.8324 215.8150 23.93250 225.5996 8.087555 -9.784637      25.26208 
1 1 1 12  25 5  o 191.7056 8.079940 1083.040       90.63974 880.2996       284.7631 1105.896       95.61250 167.3316 30.12487 193.6784 8.437742 -26.34680      31.28424 
1 1 1 12  25 6  o 176.5695 8.676993 919.7947       89.57841 862.1212       285.2116 926.1064       94.35291 165.4171 30.52349 177.1206 9.113778 -11.70355      31.85505 
1 1 1 12  25 7  o 109.8651 12.46924 361.1225       78.92407 256.7999       259.7453 371.7339       82.84085 97.49844 35.30890 111.4081 12.91794 -13.90964      37.59776 
1 1 1 12  25 8  o 253.1638 7.848833 1886.900       116.3945 1746.990       291.2165 1913.499       126.9777 240.6880 20.83556 254.8558 8.507294 -14.16776      22.50543 
1 1 1 12  25 9  o 106.1610 13.09318 338.1555       79.79396 264.3628       252.2450 346.3608       84.11340 97.75468 34.87029 107.3528 13.66943 -9.598160      37.45384 
1 1 1 12  25 10 o 252.5129 9.287972 1880.101       137.3138 1339.270       277.5492 2055.379       158.0058 209.9030 22.91797 263.8853 10.22894 -53.98233      25.09711 
1 1 1 12  25 11 o 241.4051 20.32664 1754.343       285.1104 1754.343       285.1104 0.000000       0.000000 241.4051 20.32664 ?        ?        0.000000       20.32664 
1 1 1 12  25 12 o 209.0580 24.85512 1336.134       298.7840 1336.134       298.7840 0.000000       0.000000 209.0580 24.85512 ?        ?        0.000000       24.85512 
1 1 1 12  25 13 o 391.6646 16.18880 4562.088       371.0585 4562.088       371.0585 0.000000       0.000000 391.6646 16.18880 ?        ?        0.000000       16.18880 
1 1 1 12  25 14 o 318.5284 14.03138 3009.373       261.4762 3038.356       333.2335 2962.940       421.7891 318.9376 17.88694 313.0285 23.13886 5.909058       29.24636 
1 1 1 12  25 15 f 403.1361 12.67829 4808.559       299.3800 4639.369       381.3423 5080.350       483.3321 394.7492 16.50832 411.6475 20.08085 -16.89832      25.99548 
1 1 1 12  25 16 o 303.5110 14.94186 2739.071       265.1506 2736.067       319.3646 2745.735       475.6921 302.3775 18.09161 299.0875 27.42419 3.290009       32.85411 
1 1 1 12  25 17 o 61.27128 27.89721 -119.8616      220.3881 -160.0719      246.4092 40.92894       492.7408 63.16194 29.03487 102.7380 44.46807 -39.57601      53.10775 
1 1 1 12  25 18 o 115.3330 33.26206 426.2586       237.3446 762.2494       275.5864 -538.6541      467.0229 154.3685 31.50780 76.91042 36.76058 77.45808       48.41572 
1 1 1 12  25 19 o 455.5580 13.23532 6157.571       353.2384 6074.724       429.4712 6330.820       621.0558 451.1428 16.25849 456.4129 23.27872 -5.270172      28.39431 
1 1 1 12  25 20 o 280.7231 15.54673 2355.896       254.9577 2269.215       292.8816 2627.096       518.0565 274.4866 18.29816 288.5851 31.09969 -14.09842      36.08343 
1 1 1 12  25 21 o 148.6865 26.59426 698.8845       223.3911 631.1973       251.1435 955.3737       488.8810 139.3453 31.47666 164.4278 47.83209 -25.08247      57.25983 
1 1 1 12  25 22 o 330.5569 13.61708 3255.012       263.4207 3328.992       302.3223 3021.757       536.8176 333.5337 15.49776 309.3823 29.96015 24.15143       33.73116 
1 1 1 12  25 23 o 74.32145 29.72984 103.0935       196.2535 200.9573       218.4126 -307.1154      447.1665 86.77892 32.21980 81.15540 37.92306 5.623512       49.76217 
1 1 1 12  25 24 o 51.35555 24.40200 -224.5417      199.6379 -145.3580      221.0263 -575.3020      465.1906 59.11891 27.29236 74.09639 35.74287 -14.97748      44.97139 
1 1 1 12  25 25 o 148.6402 25.86737 705.5009       217.3101 725.7230       247.4194 637.2536       454.5311 149.1823 29.32508 134.3133 46.90540 14.86894       55.31796 
1 1 1 12  25 26 o 47.13128 23.04786 -368.2136      211.8765 -302.3763      240.1285 -599.6578      450.2263 54.20651 26.02820 70.85123 34.41146 -16.64473      43.14645 
1 1 1 12  25 27 o 157.1357 23.46684 787.4726       209.6451 769.4556       234.8103 858.2708       465.4650 153.3269 27.10365 147.9058 47.40904 5.421066       54.60975 
1 1 1 12  25 28 o 61.83783 27.55466 -33.11200      202.1668 99.60606       222.7274 -654.0273      481.7535 74.81597 31.00693 70.83498 34.66354 3.980988       46.50797 
1 1 1 12  25 29 o 115.9866 30.73223 470.4730       212.3690 429.7169       232.7244 673.3549       519.2390 109.8324 33.26944 127.2412 49.11254 -17.40878      59.32029 
1 1 1 12  25 30 o 61.70805 27.49718 -22.74577      201.3308 38.32436       223.4767 -285.8723      463.8741 68.97276 29.90003 77.73984 37.01194 -8.767075      47.58041 
1 1 1 12  25 31 o 141.9709 25.93982 678.6635       208.0255 642.5193       227.0512 867.6213       519.1429 135.6133 29.39723 136.4822 49.84483 -0.8689270     57.86799 
1 1 1 12  25 32 o 41.94635 20.82985 -417.2709      197.1114 -505.5612      215.5477 33.62054       487.1055 42.29441 21.12672 88.54858 40.74786 -46.25417      45.89909 
1 1 1 12  25 33 o 61.39168 27.35734 -6.450526      199.3096 89.85236       222.9133 -390.3120      445.0446 71.25320 30.35674 70.64642 34.28896 0.6067810      45.79591 
1 1 1 12  25 34 o 206.5771 18.13529 1356.750       217.4863 1400.852       239.2326 1146.717       522.0769 208.3960 19.81208 148.3548 50.32970 60.04124       54.08879 
1 1 1 12  25 35 o 78.81683 29.51316 207.7004       184.0240 257.2905       202.0786 -33.20781      445.3987 84.98887 31.08894 80.29530 37.62684 4.693573       48.80882 
1 1 1 12  25 36 o 64.49599 23.36968 129.8518       113.8048 177.2509       117.4392 -600.5913      461.0215 72.24008 23.86096 64.98787 32.19938 7.252213       40.07674 
1 1 1 12  25 37 o 50.36961 21.99223 9.501276       122.7278 -0.8055744     127.8037 131.5796       439.8451 50.24706 22.17348 84.12239 38.71454 -33.87533      44.61478 
1 1 1 12  25 38 o 51.71649 22.56409 14.39421       128.9935 26.22499       135.8156 -94.57384      412.1854 53.88891 23.33537 73.67483 35.02319 -19.78592      42.08519 
1 1 1 12  25 39 o 44.40689 21.10404 -130.7911      149.4542 -94.07038      158.4773 -425.9912      449.3343 48.07561 22.50134 66.28064 32.64286 -18.20503      39.64677 
1 1 1 12  25 40 o 128.0877 20.74813 555.6719       150.5336 559.0414       160.2171 530.2979       439.6617 127.2194 22.28533 100.6435 42.74668 26.57593       48.20700 
1 1 1 12  26 0  o 532.7767 12.84625 8392.624       401.3951 9258.343       582.2272 7608.442       554.1312 557.1862 17.84028 504.6034 18.75722 52.58279       25.88646 
1 1 1 12  26 1  o 308.7603 8.757553 2808.505       158.4221 0.000000       0.000000 2808.505       158.4221 ?        ?        308.7603 8.757553 0.000000       8.757553 
1 1 1 12  26 2  o 390.5046 7.958862 4485.876       182.2752 5164.901       418.1860 4326.616       202.5260 416.2865 17.16561 383.3398 9.008372 32.94666       19.38579 
1 1 1 12  26 3  o 132.0211 10.89092 517.5487       83.57606 1025.689       295.0717 473.2276       87.14471 181.4043 28.68798 126.0379 11.93139 55.36645       31.07022 
1 1 1 12  26 4  o 61.52226 19.39696 111.8159       78.18632 213.5253       303.2711 104.5744       80.92183 97.04896 37.51387 60.30427 19.80149 36.74469       42.41921 
1 1 1 12  26 5  o 175.6404 9.125044 910.7635       93.67377 202.6627       307.3067 983.2972       98.35452 96.50784 37.63490 182.5060 9.218822 -85.99817      38.74755 
1 1 1 12  26 6  o 225.2978 8.234077 1495.388       108.6154 1501.140       305.3919 1494.556       116.2139 222.0132 23.82698 225.1584 8.817794 -3.145172      25.40627 
1 1 1 12  26 7  o 208.0993 8.705280 1276.787       106.0092 961.7917       297.7468 1322.513       113.4430 175.1171 30.07445 211.7390 9.157022 -36.62183      31.43761 
1 1 1 12  26 8  o 201.9967 8.995915 1203.544       106.3039 750.0323       291.9961 1272.836       114.1365 153.1489 33.44850 207.6872 9.394858 -54.53830      34.74285 
1 1 1 12  26 9  o ?        ?        -932.2405      173.0913 -997.3886      285.8271 -894.5132      217.5103 43.62784 22.10763 ?        ?        0.000000       22.10763 
1 1 1 12  26 10 o 173.0959 10.78715 886.8967       108.9632 1692.777       314.6297 777.0674       116.1512 236.2434 22.99937 161.7351 12.33841 74.50829       26.09995 
1 1 1 12  26 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  26 12 o 408.1826 16.22022 4956.537       387.5219 4956.537       387.5219 0.000000       0.000000 408.1826 16.22022 ?        ?        0.000000       16.22022 
1 1 1 12  26 13 o 160.0140 31.35610 811.6083       283.7321 811.6083       283.7321 0.000000       0.000000 160.0140 31.35610 ?        ?        0.000000       31.35610 
1 1 1 12  26 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  26 15 o 194.3853 22.05096 1151.035       246.9500 1137.742       295.0043 1182.161       451.4292 191.5040 27.01605 188.7478 41.87642 2.756226       49.83474 
1 1 1 12  26 16 o 340.0060 14.06264 3434.482       279.8115 3680.666       332.2938 2834.479       518.7623 351.2744 16.17306 302.0622 29.66566 49.21222       33.78785 
1 1 1 12  26 17 o 160.4861 25.80295 803.2001       234.6300 1098.947       269.1008 -134.4455      479.1528 188.5809 24.94236 92.70064 41.77517 95.88031       48.65477 
1 1 1 12  26 18 o 408.0993 13.55095 4948.690       323.8795 4891.688       384.9785 5086.750       599.1334 404.5761 16.25815 407.2855 25.20620 -2.709442      29.99466 
1 1 1 12  26 19 o 115.4594 33.76639 433.2427       243.0595 351.5417       280.5475 679.1412       486.7102 107.1032 36.88010 141.7482 48.58451 -34.64500      60.99669 
1 1 1 12  26 20 o 200.3450 20.39510 1224.839       236.3000 1205.633       263.6356 1303.310       532.9006 197.6471 23.18401 191.8419 47.59405 5.805237       52.94046 
1 1 1 12  26 21 o 56.58706 26.31408 -164.9678      211.1458 -132.4919      237.3152 -288.3372      462.5394 62.63479 28.68158 83.57314 38.89140 -20.93835      48.32364 
1 1 1 12  26 22 o 320.4015 13.89715 3063.798       260.5174 3118.252       306.7089 2922.742       493.6326 322.1992 16.28402 305.0177 27.90365 17.18155       32.30763 
1 1 1 12  26 23 o 173.7037 22.40802 937.6141       222.9647 1073.586       254.8952 494.6038       460.0918 185.3002 24.01962 124.3373 46.64368 60.96288       52.46499 
1 1 1 12  26 24 o 60.08185 26.98866 -65.30289      198.1788 -95.55797      221.8984 53.95239       440.5486 61.88527 28.10463 94.85120 41.53450 -32.96593      50.14962 
1 1 1 12  26 25 f 130.3451 27.35029 556.0563       202.3983 492.5834       228.7554 784.8647       434.3234 120.7265 31.85272 144.8612 45.72255 -24.13469      55.72385 
1 1 1 12  26 26 o 130.8427 28.46691 571.4000       212.2183 609.5453       242.7263 447.6241       437.2338 133.5822 31.49855 115.4371 44.92690 18.14512       54.86880 
1 1 1 12  26 27 o 172.0772 21.36657 937.5850       210.9994 1110.134       240.5681 362.2511       439.2802 186.7540 22.41150 107.8431 43.99471 78.91081       49.37418 
1 1 1 12  26 28 o 125.1679 28.58789 536.2913       205.2411 529.3301       228.6679 565.1379       465.4937 122.5241 31.61258 120.0067 46.45258 2.517426       56.18894 
1 1 1 12  26 29 o 99.40727 32.42960 349.2026       217.2061 334.6653       238.2274 420.8403       528.8367 97.70580 33.96790 110.4138 46.88854 -12.70805      57.89951 
1 1 1 12  26 30 o 86.37323 31.48334 244.8083       206.9671 147.3626       225.7366 758.7615       518.4206 77.68266 31.59496 128.8873 49.24540 -51.20467      58.50941 
1 1 1 12  26 31 o 136.6835 26.33123 638.6115       203.4201 573.5551       227.1427 902.1711       457.1861 125.9325 30.97282 140.2151 47.09857 -14.28255      56.37012 
1 1 1 12  26 32 o 121.4122 30.01882 535.9858       212.5299 488.4845       233.1751 769.1600       516.6177 113.4594 33.04201 124.1093 48.67989 -10.64986      58.83456 
1 1 1 12  26 33 o 74.88735 29.77593 160.3681       195.6866 273.1497       211.8681 -494.5027      510.5334 87.62646 31.86682 72.39346 35.47989 15.23300       47.68980 
1 1 1 12  26 34 o 123.4303 28.73805 554.2455       204.1305 553.2529       223.2750 559.2999       503.8547 121.0955 31.23429 108.5399 45.91581 12.55561       55.53236 
1 1 1 12  26 35 o 92.78191 32.51067 332.0764       218.4703 491.7603       247.6165 -228.9690      464.1389 109.9809 34.49751 74.23602 35.78326 35.74493       49.70433 
1 1 1 12  26 36 o 60.82055 27.49503 -11.05811      209.4698 -78.95724      237.5493 226.2932       444.1375 60.12229 27.94200 88.31151 39.96843 -28.18922      48.76711 
1 1 1 12  26 37 f 80.10315 31.83372 222.0678       223.5599 -113.1045      266.0809 1026.658       412.2561 61.31771 28.84364 143.1421 44.45376 -81.82439      52.99144 
1 1 1 12  26 38 o 59.51477 27.48545 -50.32885      224.4707 -160.4166      265.1986 227.8117       421.5352 58.70399 27.95915 85.79517 38.87300 -27.09118      47.88345 
1 1 1 12  26 39 o 56.07067 23.14743 66.04199       123.4641 62.63874       129.9983 97.36536       394.3890 56.50509 23.57548 78.81159 36.40963 -22.30650      43.37585 
1 1 1 12  27 0  o 258.4096 9.078558 1968.551       137.3728 0.000000       0.000000 1968.551       137.3728 ?        ?        258.4096 9.078558 0.000000       9.078558 
1 1 1 12  27 1  o 318.2262 10.25033 2988.107       191.0545 2499.113       364.2728 3173.663       224.3947 287.8108 21.74167 327.6644 11.69580 -39.85358      24.68789 
1 1 1 12  27 2  o 124.6525 12.65865 463.8545       91.25994 830.5438       331.6552 433.8159       94.92431 160.3516 36.13498 120.3194 13.69563 40.03218       38.64333 
1 1 1 12  27 3  o 216.7050 8.902875 1384.760       112.9078 1491.858       333.2099 1370.868       120.0073 220.4381 26.29158 215.5279 9.517570 4.910217       27.96125 
1 1 1 12  27 4  o 199.2718 9.060187 1171.503       105.6078 1478.231       362.3045 1143.022       110.4021 218.3974 29.00251 196.7567 9.596418 21.64078       30.54893 
1 1 1 12  27 5  o 156.8358 11.16878 729.2949       102.0587 457.9356       338.8226 756.3724       107.0296 121.8143 40.53930 159.6823 11.50584 -37.86791      42.14047 
1 1 1 12  27 6  o 138.8067 12.39733 573.6458       99.86150 13.33063       314.2338 636.5905       105.3214 83.27989 35.77380 146.2807 12.39314 -63.00084      37.85968 
1 1 1 12  27 7  o 397.1582 8.677597 4642.342       202.1219 4607.195       421.4761 4652.839       230.3356 392.7631 18.34821 397.3913 9.883079 -4.628265      20.84063 
1 1 1 12  27 8  o 240.3358 9.118762 1703.103       128.2970 2127.209       336.3173 1630.875       138.7926 265.4315 21.79645 235.0308 10.09263 30.40073       24.01971 
1 1 1 12  27 9  o 139.7518 14.14673 584.1123       114.3530 696.1119       319.0579 567.6047       122.4907 146.4175 37.11303 137.4809 15.45945 8.936554       40.20412 
1 1 1 12  27 10 o 172.2337 18.16522 893.5645       180.7283 846.8928       311.8741 917.1614       221.7583 162.6894 33.79234 173.3777 22.32674 -10.68831      40.50192 
1 1 1 12  27 11 o 293.2029 18.36290 2574.294       314.1767 2574.294       314.1767 0.000000       0.000000 293.2029 18.36290 ?        ?        0.000000       18.36290 
1 1 1 12  27 12 o 414.5052 16.55901 5119.848       401.7351 5119.848       401.7351 0.000000       0.000000 414.5052 16.55901 ?        ?        0.000000       16.55901 
1 1 1 12  27 13 o 350.8205 16.87466 3674.750       346.1746 3674.750       346.1746 0.000000       0.000000 350.8205 16.87466 ?        ?        0.000000       16.87466 
1 1 1 12  27 14 o 155.3518 27.07010 756.5000       237.6764 759.2412       288.5159 750.7114       419.2596 153.5059 33.02771 149.5390 44.50967 3.966873       55.42509 
1 1 1 12  27 15 o 83.85220 33.08558 142.1941       239.8843 -126.2257      285.7829 782.3821       441.3496 70.64470 32.00801 151.8417 45.77751 -81.19704      55.85779 
1 1 1 12  27 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  27 17 o 147.3499 28.95604 693.8536       241.3023 747.4368       272.0558 496.2306       522.4708 152.0280 31.54744 129.4760 49.44547 22.55194       58.65233 
1 1 1 12  27 18 o 101.3744 34.75376 313.0627       249.0487 152.1688       285.7172 821.9850       508.1505 88.79929 35.75064 152.7386 49.58634 -63.93929      61.13030 
1 1 1 12  27 19 f 183.3544 23.82468 1043.777       250.1416 990.2344       284.4207 1226.607       525.5737 176.5071 28.44209 185.2612 47.99110 -8.754089      55.78617 
1 1 1 12  27 20 o 206.9114 19.76124 1305.587       236.8904 1315.834       271.4274 1272.831       485.2787 206.4452 22.79733 190.7776 44.23451 15.66763       49.76354 
1 1 1 12  27 21 o 153.3795 25.99664 746.2388       225.5058 737.0025       257.9765 776.1573       464.3029 150.5198 30.27392 147.3412 47.36175 3.178589       56.21072 
1 1 1 12  27 22 o 233.3464 16.28858 1643.610       221.5131 1447.394       244.2452 2552.963       525.8060 217.6296 19.33740 280.1408 32.61267 -62.51115      37.91466 
1 1 1 12  27 23 o 62.23975 27.54511 -34.45485      198.5984 64.43925       218.6055 -501.7486      475.1938 72.84904 30.49602 76.37704 36.65837 -3.528000      47.68483 
1 1 1 12  27 24 o 53.49914 25.12587 -175.1292      200.5102 -283.1963      227.7034 197.9892       423.1030 52.88545 25.38131 99.91727 42.16226 -47.03183      49.21247 
1 1 1 12  27 25 o 92.53109 30.84266 280.0079       196.1053 399.5569       221.0581 -161.6633      424.8962 107.8593 32.37085 81.24477 37.62423 26.61449       49.63321 
1 1 1 12  27 26 o 65.27584 28.23149 22.14259       198.2977 118.4806       221.6225 -364.6238      444.0576 76.13834 31.17705 74.91054 35.81576 1.227798       47.48449 
1 1 1 12  27 27 f 112.3992 30.82780 443.6494       209.2842 470.1326       230.5485 319.6255       498.9190 114.7446 32.68472 105.6231 45.21844 9.121445       55.79425 
1 1 1 12  27 28 o 131.7380 28.19074 596.4300       211.2245 680.9974       232.1573 189.9047       509.0078 140.3162 29.16429 98.39658 43.79128 41.91961       52.61399 
1 1 1 12  27 29 o 75.96752 30.68728 142.4102       211.2918 169.1295       237.6974 41.79588       461.2553 80.46775 32.53287 88.52422 40.32620 -8.056465      51.81303 
1 1 1 12  27 30 o 128.4694 29.31147 585.2363       215.9502 492.0217       237.7265 1025.243       516.4945 114.6886 33.35227 145.1407 50.03794 -30.45212      60.13460 
1 1 1 12  27 31 o 169.1601 21.27714 934.3069       206.4282 999.9274       226.4520 611.7092       502.0965 173.8387 22.75751 114.6979 46.94207 59.14079       52.16764 
1 1 1 12  27 32 o 97.13548 31.32745 351.4584       203.0267 415.8502       227.1585 95.78065       452.6473 104.1493 33.09066 86.75535 39.68335 17.39391       51.66972 
1 1 1 12  27 33 o 130.0092 28.50362 611.0836       211.3289 658.8388       232.7480 386.8612       504.3300 133.3539 30.43318 99.89532 44.06651 33.45853       53.55405 
1 1 1 12  27 34 o 59.93917 26.80259 -0.8407334     193.0538 17.08279       214.6922 -76.55270      441.2523 63.70228 28.38980 77.55499 36.68235 -13.85271      46.38507 
1 1 1 12  27 35 o 57.39497 26.42398 -58.28460      205.1710 -24.60418      228.7088 -197.1114      464.3344 62.16262 28.34776 74.32398 35.81690 -12.16136      45.67763 
1 1 1 12  27 36 o 159.0326 24.94947 887.7658       225.0511 984.4584       266.2830 646.0274       421.0365 163.2698 28.86470 111.1412 43.83894 52.12862       52.48832 
1 1 1 12  27 37 o 70.11800 30.15787 111.9517       223.8502 70.15808       266.9839 210.8692       410.7398 70.46529 31.51380 84.81825 38.40703 -14.35296      49.68118 
1 1 1 12  27 38 o 51.66526 25.15033 -277.9370      244.2353 -305.9989      330.7698 -244.2958      362.1627 59.88441 29.17758 64.42941 31.19087 -4.544991      42.71067 
1 1 1 12  27 39 o 69.94808 31.02769 90.66165       253.4169 189.5629       313.1230 -97.10715      431.4455 79.14884 34.82586 72.89236 34.97123 6.256477       49.35410 
1 1 1 12  28 0  o 212.6598 10.36122 1336.336       128.8362 0.000000       0.000000 1336.336       128.8362 ?        ?        212.6598 10.36122 0.000000       10.36122 
1 1 1 12  28 1  o 270.7650 8.951523 2160.732       141.9524 2776.848       386.6377 2064.743       152.6101 303.4070 21.87527 264.5334 9.853989 38.87366       23.99226 
1 1 1 12  28 2  o 260.1057 8.796669 1993.791       133.9964 2454.025       379.0843 1928.077       143.2436 284.7512 22.89243 255.6612 9.570337 29.08995       24.81239 
1 1 1 12  28 3  o 175.1150 11.90127 909.6578       121.5007 0.000000       0.000000 909.6578       121.5007 ?        ?        175.1150 11.90127 0.000000       11.90127 
1 1 1 12  28 4  o 333.7437 8.568537 3280.390       167.5756 3578.184       415.7858 3222.637       183.1057 345.0740 20.63935 330.6357 9.452519 14.43823       22.70095 
1 1 1 12  28 5  o 145.2160 12.94231 628.3934       109.0704 809.4146       352.6298 609.2430       114.6947 157.4413 38.51276 142.7982 13.86975 14.64304       40.93412 
1 1 1 12  28 6  o 80.68562 21.66546 202.1360       104.6731 56.97371       341.7725 217.1614       109.9570 89.17885 37.77500 83.53833 22.10385 5.640518       43.76678 
1 1 1 12  28 7  o 45.32737 19.94629 -25.57907      102.7397 10.12582       315.1886 -29.82377      108.6753 83.04211 35.75181 46.31276 20.44170 36.72935       41.18319 
1 1 1 12  28 8  o 65.12254 22.78532 114.7205       107.2879 389.9162       315.2542 78.67255       114.0986 113.9115 39.09960 60.53640 23.10941 53.37506       45.41832 
1 1 1 12  28 9  o 83.49762 29.22153 194.3370       176.4666 -196.5957      320.7695 364.0007       211.3181 72.15595 33.15396 107.3808 31.50675 -35.22488      45.73686 
1 1 1 12  28 10 o 308.0044 18.54241 2844.933       333.3941 2844.933       333.3941 0.000000       0.000000 308.0044 18.54241 ?        ?        0.000000       18.54241 
1 1 1 12  28 11 o 147.5181 34.92295 707.5681       297.4262 707.5681       297.4262 0.000000       0.000000 147.5181 34.92295 ?        ?        0.000000       34.92295 
1 1 1 12  28 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  28 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  28 14 o 244.4373 22.28153 1823.646       315.9128 1823.646       315.9128 0.000000       0.000000 244.4373 22.28153 ?        ?        0.000000       22.28153 
1 1 1 12  28 15 o 142.5300 29.39628 651.8504       237.5625 808.0161       274.0723 180.0357       476.3849 158.5967 30.57431 107.1945 44.95581 51.40224       54.36739 
1 1 1 12  28 16 o 93.02267 35.68813 214.4935       273.0130 214.4935       273.0130 0.000000       0.000000 93.02267 35.68813 ?        ?        0.000000       35.68813 
1 1 1 12  28 17 o 124.0610 31.99702 504.5091       234.3234 505.7494       271.0719 500.8426       466.0850 123.5598 35.51987 126.7014 47.06235 -3.141533      58.96207 
1 1 1 12  28 18 o 62.60668 28.78562 -146.1338      242.3716 -152.7318      277.0135 -124.5918      500.5378 67.33006 30.88976 93.49349 42.36038 -26.16344      52.42689 
1 1 1 12  28 19 o 112.6168 33.44907 416.5182       236.9768 539.5219       270.9207 15.84470       488.9660 127.0057 35.16956 98.34158 43.38523 28.66407       55.84959 
1 1 1 12  28 20 o 271.5695 16.22680 2221.336       257.2642 2182.593       301.0502 2326.226       495.3486 267.7261 19.30293 268.0487 32.15066 -0.3226013     37.50024 
1 1 1 12  28 21 o 199.9400 19.67200 1227.009       227.6899 1421.729       253.7324 421.8363       515.9591 215.0131 20.36421 120.3589 48.18483 94.65421       52.31136 
1 1 1 12  28 22 o 212.3895 18.08130 1378.184       223.0841 1122.245       250.5478 2357.386       490.0708 189.1249 23.06527 268.0305 31.79491 -78.90562      39.28006 
1 1 1 12  28 23 o 165.7069 22.00442 865.1302       208.5653 903.5310       237.9209 737.6844       433.4360 167.8257 24.92880 139.1081 45.83515 28.71758       52.17572 
1 1 1 12  28 24 o 56.48962 25.74778 -82.37897      188.3768 -90.06965      211.2930 -52.58171      415.9018 59.61758 27.21012 84.69071 38.46744 -25.07314      47.11830 
1 1 1 12  28 25 o 77.84412 30.00057 164.1289       193.5381 120.5061       219.2486 318.0898       411.8939 75.90234 31.03678 103.1462 42.39901 -27.24387      52.54482 
1 1 1 12  28 26 o 125.5671 28.05487 539.1034       201.3889 454.1341       224.5896 887.7963       454.9673 112.7991 32.30146 144.4806 46.92087 -31.68148      56.96448 
1 1 1 12  28 27 f 155.4239 25.68723 806.1383       225.9733 877.2083       255.8723 554.2344       481.7236 160.3137 28.24616 116.9208 46.64247 43.39296       54.52857 
1 1 1 12  28 28 o 54.03733 25.44087 -160.5096      207.7958 -138.8840      230.1586 -255.8522      483.2660 58.39057 27.25956 79.18813 37.72290 -20.79756      46.54139 
1 1 1 12  28 29 o 82.36420 32.12782 207.6348       223.9985 228.3259       250.1747 123.9916       502.9986 85.64832 33.78978 92.56806 42.14627 -6.919739      54.01905 
1 1 1 12  28 30 o 197.4103 20.49587 1261.208       233.8444 1503.482       268.6577 503.8915       474.9903 214.5381 21.64807 108.3584 45.12587 106.1796       50.04980 
1 1 1 12  28 31 o 165.9113 21.99106 910.0112       208.7153 917.6099       228.2908 871.3174       515.1600 164.5749 24.38941 128.7767 49.11779 35.79825       54.83978 
1 1 1 12  28 32 o 259.3643 15.19809 2093.754       230.1667 2132.746       259.3771 1949.301       499.2401 259.7779 17.12011 215.8101 40.94202 43.96779       44.37733 
1 1 1 12  28 33 o 70.19123 29.40267 115.7727       203.4139 316.0575       233.7315 -509.5280      412.9881 90.79941 33.39877 63.21164 31.16272 27.58776       45.67924 
1 1 1 12  28 34 o 89.63513 32.03325 310.2715       212.9684 427.6741       240.3354 -118.9594      459.5410 102.0639 34.14666 76.32111 36.47510 25.74277       49.96426 
1 1 1 12  28 35 o 55.25310 25.77323 -91.88393      205.0476 -19.81051      231.3364 -356.0303      442.8725 62.44759 28.49015 68.21702 33.35114 -5.769428      43.86328 
1 1 1 12  28 36 o 69.00242 29.71534 103.1163       217.8512 237.9759       250.0354 -321.9110      443.8836 81.59808 33.22791 68.47301 33.45761 13.12507       47.15406 
1 1 1 12  28 37 o 122.9308 30.87523 596.3589       222.2669 687.5392       277.5667 433.3912       371.0801 125.8772 35.86544 95.98376 39.92199 29.89348       53.66651 
1 1 1 12  28 38 o 66.29871 29.76038 47.44777       240.5070 -68.84385      298.8651 261.1525       405.1428 65.17683 30.63077 85.60817 38.51057 -20.43134      49.20679 
1 1 1 12  29 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  29 1  o 301.8793 8.670158 2685.176       153.3419 3709.392       394.5555 2502.949       166.4249 351.7417 19.19921 291.2595 9.756660 60.48221       21.53607 
1 1 1 12  29 2  o 236.7446 9.651025 1654.411       133.7189 1140.672       339.5219 1748.729       145.4767 190.1085 31.55805 243.3151 10.21743 -53.20663      33.17086 
1 1 1 12  29 3  f 30.53335 15.04274 -203.1146      95.69920 -351.4815      335.9345 -190.0106      99.83592 67.55068 31.96719 32.27159 15.78968 35.27909       35.65411 
1 1 1 12  29 4  o 67.54170 22.00174 133.2248       99.99628 -33.60085      317.8888 151.5451       105.3439 80.51008 35.26747 71.27493 22.52071 9.235146       41.84468 
1 1 1 12  29 5  f 35.27115 16.86197 -132.2242      98.37375 -366.3157      312.9378 -106.5548      103.6271 63.76168 30.36901 38.43043 18.05330 25.33125       35.32985 
1 1 1 12  29 6  o 86.25243 21.00914 232.2484       105.2759 -360.8090      337.4611 296.1887       110.8058 67.29915 31.90455 97.71272 20.00967 -30.41357      37.66015 
1 1 1 12  29 7  o 351.7150 8.778592 3643.585       181.0782 3626.181       393.1208 3648.272       204.0091 347.4081 19.37130 351.5922 9.903591 -4.184113      21.75611 
1 1 1 12  29 8  o 75.36723 27.96330 140.7382       164.4633 733.2126       306.5173 -98.78676      194.8927 149.9362 35.42429 58.16365 26.38462 91.77257       44.17044 
1 1 1 12  29 9  o 391.3123 10.38149 4522.648       238.0399 4640.517       389.7200 4452.506       300.6363 394.0681 16.90214 387.3907 13.25201 6.677490       21.47785 
1 1 1 12  29 10 o 256.9867 23.15600 2016.103       345.2601 2016.103       345.2601 0.000000       0.000000 256.9867 23.15600 ?        ?        0.000000       23.15600 
1 1 1 12  29 11 o 291.1620 21.95625 2577.813       372.1615 2577.813       372.1615 0.000000       0.000000 291.1620 21.95625 ?        ?        0.000000       21.95625 
1 1 1 12  29 12 o 284.6236 21.65270 2465.355       358.7255 2465.355       358.7255 0.000000       0.000000 284.6236 21.65270 ?        ?        0.000000       21.65270 
1 1 1 12  29 13 o 218.0196 23.49292 1463.848       295.6522 1463.848       295.6522 0.000000       0.000000 218.0196 23.49292 ?        ?        0.000000       23.49292 
1 1 1 12  29 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  29 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  29 16 o 106.2087 33.35835 363.1059       231.4572 402.4154       269.0551 251.1979       453.9656 111.5269 36.07174 108.7386 44.58432 2.788315       57.34921 
1 1 1 12  29 17 o 113.8237 33.25915 426.2127       235.9012 573.0079       282.3970 87.22946       429.1344 130.6295 35.80285 96.96239 41.73044 33.66713       54.98431 
1 1 1 12  29 18 o 197.2678 22.16185 1203.750       251.9675 1154.346       295.1927 1336.369       483.6422 190.7228 27.15722 194.9483 43.41567 -4.225525      51.20972 
1 1 1 12  29 19 o 280.3291 16.15112 2369.311       264.4108 2044.049       306.1252 3324.794       524.6786 258.2112 20.38012 323.9049 27.89149 -65.69370      34.54395 
1 1 1 12  29 20 o 47.74492 23.19805 -323.1292      205.1414 -458.6259      224.7957 351.6672       501.6606 46.27448 22.84639 114.7199 46.93297 -68.44544      52.19829 
1 1 1 12  29 21 o 60.21341 27.29445 -81.15329      208.1026 -228.8061      232.2669 519.7503       468.5639 56.00111 26.52504 122.8556 46.84758 -66.85450      53.83561 
1 1 1 12  29 22 o 181.4672 20.67838 1030.770       216.1501 961.5558       244.6758 1276.767       461.2756 172.8573 24.84850 184.3838 43.38520 -11.52647      49.99724 
1 1 1 12  29 23 o 108.0588 30.19834 401.5664       198.7509 361.4347       223.7661 551.5555       432.5936 102.3507 32.87746 120.8782 45.25268 -18.52750      55.93507 
1 1 1 12  29 24 o 171.3988 21.01911 933.3499       206.8692 857.8434       238.6280 1161.735       415.0143 160.9658 26.17623 174.0739 41.28126 -13.10814      48.88085 
1 1 1 12  29 25 o 143.4464 25.44286 684.5022       206.2081 764.7509       230.1894 358.4440       463.9956 150.6911 27.03990 105.6429 44.34025 45.04820       51.93471 
1 1 1 12  29 26 o 147.9374 26.98453 742.1242       225.4989 916.1230       260.6861 224.9362       449.4372 163.7733 28.15561 96.74497 42.16564 67.02833       50.70187 
1 1 1 12  29 27 o 107.4364 31.37325 418.1558       209.9643 338.3260       237.3105 705.8859       450.5332 97.04131 33.89197 126.0873 46.37133 -29.04594      57.43662 
1 1 1 12  29 28 o 158.3882 22.67067 826.5930       204.5914 838.0602       227.7780 778.7145       465.4286 157.2539 25.57595 128.7057 47.16529 28.54817       53.65346 
1 1 1 12  29 29 o 71.65262 30.23533 103.3429       217.5838 106.5604       242.2966 89.93982       494.5274 74.05495 31.60273 89.00277 40.99319 -14.94782      51.76074 
1 1 1 12  29 30 o 55.70314 26.01857 -116.7473      210.1277 -61.66291      230.3603 -389.6515      512.7415 61.38438 28.16451 74.75018 36.39982 -13.36580      46.02376 
1 1 1 12  29 31 o 150.8432 23.82321 773.9254       203.7658 798.4414       228.4137 678.3673       450.9532 150.5673 26.85166 116.6882 45.56546 33.87914       52.88878 
1 1 1 12  29 32 o 133.1519 28.62960 649.5595       216.9199 705.6078       246.2967 455.7516       457.9977 136.0119 31.49738 100.9606 43.27549 35.05125       53.52432 
1 1 1 12  29 33 o 144.9957 26.42246 751.0667       216.4117 695.4771       242.6198 967.4768       478.7051 134.3414 31.36627 131.0509 47.86373 3.290482       57.22569 
1 1 1 12  29 34 o 102.8763 32.79823 429.8091       223.0045 446.0458       248.2624 361.9727       507.4492 103.0004 34.70759 94.41105 42.72630 8.589325       55.04683 
1 1 1 12  29 35 o 61.82840 28.42771 -32.20287      236.3799 1.471034       275.5382 -126.0651      460.0239 67.27911 30.84446 74.70409 35.91066 -7.424988      47.33873 
1 1 1 12  29 36 o 79.84718 32.21504 228.3388       232.5385 396.4291       278.0396 -162.9058      424.1891 95.01043 36.12132 71.10262 34.25673 23.90781       49.78226 
1 1 1 12  29 37 o 119.7685 34.24128 612.2249       252.5746 651.4280       333.5718 559.5475       386.6702 114.2216 40.16050 103.0808 41.55824 11.14079       57.79232 
1 1 1 12  30 0  o 470.5591 12.51501 6558.415       345.0725 7391.502       526.4446 5930.841       456.9196 496.9044 18.09486 445.3230 17.52925 51.58139       25.19322 
1 1 1 12  30 1  o 283.5722 10.07069 2375.296       167.2180 0.000000       0.000000 2375.296       167.2180 ?        ?        283.5722 10.07069 0.000000       10.07069 
1 1 1 12  30 2  o 283.2791 9.207526 2367.622       152.7674 2542.458       368.3078 2331.292       167.8909 289.5680 21.84870 280.8982 10.20823 8.669830       24.11584 
1 1 1 12  30 3  o 83.65252 20.84680 218.6873       101.9034 268.1869       343.1566 213.9000       106.7174 104.0182 39.98418 82.73219 21.72160 21.28597       45.50344 
1 1 1 12  30 4  o 42.59538 19.31634 -57.06939      104.3584 -55.33188      344.4068 -57.24504      109.5066 82.08919 36.30445 43.84021 19.84335 38.24898       41.37356 
1 1 1 12  30 5  o 60.11646 22.52714 84.10656       107.2555 224.9616       325.6619 66.96931       113.5929 99.03072 38.70676 58.66315 22.87997 40.36758       44.96339 
1 1 1 12  30 6  o 246.2607 9.782536 1791.915       141.0042 1427.878       359.4148 1858.137       153.2937 213.1544 29.54420 250.6436 10.45132 -37.48915      31.33832 
1 1 1 12  30 7  o 387.1938 9.246664 4420.803       209.9733 3989.205       401.4861 4583.298       246.3495 364.1652 18.86271 393.7391 10.67809 -29.57391      21.67542 
1 1 1 12  30 8  o 157.0846 14.52310 739.9178       132.2817 1560.150       331.9132 585.0336       144.2314 224.4226 25.67966 138.5980 18.18207 85.82458       31.46478 
1 1 1 12  30 9  o 355.6902 12.42680 3754.689       258.8296 4382.214       408.8465 3334.976       334.3653 381.6838 18.31790 333.3836 17.15892 48.30014       25.09928 
1 1 1 12  30 10 o 114.8965 25.99781 420.7471       171.0786 465.0637       313.8733 402.0167       204.0538 119.7000 38.97919 111.4939 30.38370 8.206177       49.42212 
1 1 1 12  30 11 o 493.1945 17.69761 7308.549       511.0681 7308.549       511.0681 0.000000       0.000000 493.1945 17.69761 ?        ?        0.000000       17.69761 
1 1 1 12  30 12 o 131.0657 38.97270 577.6063       321.5616 577.6063       321.5616 0.000000       0.000000 131.0657 38.97270 ?        ?        0.000000       38.97270 
1 1 1 12  30 13 o 95.19338 36.49458 231.4415       285.3514 231.4415       285.3514 0.000000       0.000000 95.19338 36.49458 ?        ?        0.000000       36.49458 
1 1 1 12  30 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  30 15 o 250.5761 16.92638 1893.864       247.2852 1903.688       297.1050 1871.714       446.1205 249.6422 20.47247 240.5540 32.44873 9.088150       38.36720 
1 1 1 12  30 16 o 116.1562 32.35543 446.8983       228.5602 158.2674       272.7654 1127.277       418.7872 87.19033 34.99060 180.4614 40.55940 -93.27103      53.56685 
1 1 1 12  30 17 o 175.9200 28.75304 998.3127       286.4153 998.3127       286.4153 0.000000       0.000000 175.9200 28.75304 ?        ?        0.000000       28.75304 
1 1 1 12  30 18 o 61.73769 28.16440 -106.7205      226.0277 -248.9188      263.8475 285.3941       438.1394 60.14793 28.42401 107.4955 43.90545 -47.34755      52.30308 
1 1 1 12  30 19 o 135.3150 30.18464 610.8716       233.4466 610.0035       266.5207 613.7328       483.8421 133.3384 33.98631 130.2709 48.02991 3.067490       58.83827 
1 1 1 12  30 20 o 42.74514 21.19299 -437.9592      200.9718 -536.3196      225.7507 -62.24022      441.2153 43.88617 21.87453 87.23845 39.62313 -43.35228      45.26022 
1 1 1 12  30 21 o 129.5362 27.81800 561.5427       205.0212 600.3250       232.6830 426.9034       433.5440 132.4642 30.57158 112.6319 44.46721 19.83221       53.96252 
1 1 1 12  30 22 o 232.7872 16.62873 1664.790       225.5272 1859.979       259.9185 1070.135       453.6719 245.0180 18.21829 162.6353 45.68755 82.38271       49.18596 
1 1 1 12  30 23 o 62.82935 27.81775 -12.39116      202.7570 -43.72346      228.5481 103.4035       439.3654 64.20857 28.90076 91.58838 40.72789 -27.37981      49.94012 
1 1 1 12  30 24 o 105.1421 30.98631 392.6361       204.0137 337.8461       230.5502 590.3893       438.0027 97.85306 33.44120 119.8449 45.38898 -21.99181      56.37795 
1 1 1 12  30 25 o 220.8148 18.01384 1525.503       231.2588 1488.738       266.8454 1636.426       463.5053 215.4010 21.40626 206.2768 39.75512 9.124237       45.15193 
1 1 1 12  30 26 o 90.12964 31.88677 282.1422       210.5359 313.4066       237.1693 165.9214       457.2729 93.99347 33.77895 92.73898 41.37479 1.254494       53.41246 
1 1 1 12  30 27 o 114.4605 29.57552 473.2680       199.9484 490.9260       222.9572 400.7175       451.9302 114.8757 31.94058 103.1687 43.55670 11.70708       54.01284 
1 1 1 12  30 28 o 122.9745 28.49455 542.4589       201.4783 611.8842       226.7386 281.9199       439.2409 129.1846 30.43140 95.02377 41.54468 34.16088       51.49787 
1 1 1 12  30 29 o 62.30050 27.36134 24.40278       192.4531 15.36425       209.2325 74.07185       490.4820 63.62979 28.21085 87.08479 40.36180 -23.45500      49.24355 
1 1 1 12  30 30 o 44.94201 21.83200 -245.1880      181.4595 -344.1698      192.8809 517.1192       535.2744 43.05284 21.23828 105.3492 45.96433 -62.29635      50.63382 
1 1 1 12  30 31 o 234.3860 16.72450 1741.980       228.3875 1825.211       260.8276 1468.426       472.8624 237.5376 18.87797 175.9480 45.49173 61.58952       49.25317 
1 1 1 12  30 32 o 59.67313 27.00007 -14.83228      202.5230 -64.60204      231.3177 148.5749       419.1424 60.08223 27.80179 83.80377 38.27752 -23.72155      47.30864 
1 1 1 12  30 33 f 96.03571 32.97679 374.1659       224.2566 555.2766       254.2747 -259.9083      475.7746 114.9828 34.76430 72.62119 35.29485 42.36159       49.54071 
1 1 1 12  30 34 o 58.66847 27.33965 -77.02618      229.8294 164.0060       276.8564 -611.3446      412.2087 76.96125 33.32173 59.53731 29.65684 17.42394       44.60791 
1 1 1 12  30 35 f 80.42141 32.16705 236.0697       229.7286 402.1043       274.3380 -153.6163      420.2852 95.57301 35.98246 71.07795 34.20774 24.49506       49.64783 
1 1 1 12  30 36 o 61.52053 28.45914 -38.19211      242.1279 -275.3156      318.6282 285.8695       372.4866 59.33331 28.84749 86.25130 37.96624 -26.91800      47.68242 
1 1 1 12  31 0  o 326.5660 11.67769 3160.586       223.2948 3216.457       381.8759 3131.558       275.2556 326.1270 20.06283 324.1316 14.51670 1.995392       24.76392 
1 1 1 12  31 1  o 256.3102 10.56705 1944.541       158.5030 0.000000       0.000000 1944.541       158.5030 ?        ?        256.3102 10.56705 0.000000       10.56705 
1 1 1 12  31 2  o 336.1243 10.36389 3340.938       204.0582 0.000000       0.000000 3340.938       204.0582 ?        ?        336.1243 10.36389 0.000000       10.36389 
1 1 1 12  31 3  o 93.71091 20.70839 275.0711       110.7768 507.6708       353.4770 249.7384       116.6534 124.8681 41.40214 89.03065 22.37153 35.83743       47.05978 
1 1 1 12  31 4  o 221.9935 10.21585 1458.910       132.6476 1153.172       358.5386 1507.395       142.7785 188.6063 33.64816 225.5296 10.82627 -36.92336      35.34694 
1 1 1 12  31 5  o 44.51026 20.01446 -48.09284      109.3018 275.1413       350.8395 -82.83810      115.0264 104.1260 40.32190 42.92225 19.76968 61.20377       44.90763 
1 1 1 12  31 6  o 72.87778 23.75263 158.2095       116.5369 -230.8696      321.6295 217.0093       125.0330 69.87205 32.48679 83.26482 24.18037 -13.39277      40.49792 
1 1 1 12  31 7  o 287.0451 9.549033 2435.332       160.5296 2306.291       338.8595 2472.672       182.2818 275.1184 21.16400 288.9295 10.77612 -13.81110      23.74952 
1 1 1 12  31 8  o 177.7499 13.57590 944.8110       140.4527 1354.183       307.2553 836.6722       157.9177 208.3571 25.68762 166.4531 16.38899 41.90399       30.47052 
1 1 1 12  31 9  o 364.0183 11.46691 3929.599       244.4995 3454.895       384.6463 4251.441       316.7177 337.7233 19.50299 377.4713 14.33268 -39.74802      24.20315 
1 1 1 12  31 10 o 275.3520 13.74479 2262.401       221.2594 2883.781       378.1260 1938.864       272.8475 307.4971 21.09522 253.0527 18.51288 54.44441       28.06662 
1 1 1 12  31 11 o 206.2738 28.75387 1352.084       338.4079 1352.084       338.4079 0.000000       0.000000 206.2738 28.75387 ?        ?        0.000000       28.75387 
1 1 1 12  31 12 o 219.8512 27.22397 1524.004       343.5254 1524.004       343.5254 0.000000       0.000000 219.8512 27.22397 ?        ?        0.000000       27.22397 
1 1 1 12  31 13 o 277.6499 22.48413 2373.792       362.9907 2373.792       362.9907 0.000000       0.000000 277.6499 22.48413 ?        ?        0.000000       22.48413 
1 1 1 12  31 14 o 234.0757 24.29486 1709.059       328.6745 1709.059       328.6745 0.000000       0.000000 234.0757 24.29486 ?        ?        0.000000       24.29486 
1 1 1 12  31 15 o 204.2213 26.89637 1326.683       314.3171 1326.683       314.3171 0.000000       0.000000 204.2213 26.89637 ?        ?        0.000000       26.89637 
1 1 1 12  31 16 o 184.8022 23.09786 1070.556       244.8880 1350.618       293.6198 430.5497       443.8647 206.9514 24.67732 117.3627 45.37910 89.58870       51.65494 
1 1 1 12  31 17 o 55.50943 26.10199 -191.9309      217.5545 -272.5198      257.7953 7.472210       405.5116 57.99186 27.60479 88.38871 39.22625 -30.39685      47.96585 
1 1 1 12  31 18 o 63.77584 28.52754 -47.65779      218.8935 -123.4869      254.1026 170.5096       431.0086 64.23695 29.51275 98.03180 41.99978 -33.79485      51.33209 
1 1 1 12  31 19 o 134.7074 25.63436 594.9716       195.1217 638.7616       220.0643 433.9810       421.9512 138.3151 28.08868 113.0574 44.09657 25.25768       52.28271 
1 1 1 12  31 20 f 107.6556 30.59254 401.4202       202.2172 359.1372       228.1343 556.4417       436.8209 101.7738 33.23759 120.5894 45.40378 -18.81561      56.26936 
1 1 1 12  31 21 o 59.53644 26.85921 -52.47535      198.6967 137.2609       222.3017 -806.2607      443.0894 77.35773 31.39391 63.05306 31.29727 14.30468       44.32941 
1 1 1 12  31 22 o 50.07101 24.00015 -230.6631      202.1604 -99.90807      231.6010 -649.1220      414.3217 61.07596 28.10258 63.32683 31.21826 -2.250874      42.00399 
1 1 1 12  31 23 o 70.28959 29.31312 89.94906       200.8372 80.08671       228.0480 124.0359       423.9641 72.32079 30.75423 90.26517 40.08113 -17.94438      50.52049 
1 1 1 12  31 24 f 51.37726 24.63178 -233.1548      213.2060 -257.6101      247.5913 -162.9951      419.3659 55.32396 26.52921 77.16052 36.26942 -21.83656      44.93628 
1 1 1 12  31 25 o 55.58408 25.88323 -118.2757      205.3931 -80.93039      235.3293 -237.6871      420.8051 61.75039 28.38181 73.95683 35.22241 -12.20645      45.23434 
1 1 1 12  31 26 o 54.17097 25.14190 -100.3833      191.3216 -98.45512      217.6536 -106.9369      401.2724 58.03418 26.89385 76.12566 35.68620 -18.09148      44.68539 
1 1 1 12  31 27 o 45.57248 22.27462 -299.4067      197.1821 -271.3991      225.8781 -389.1054      404.2312 50.93411 24.65169 66.72052 32.45123 -15.78641      40.75277 
1 1 1 12  31 28 o 84.07312 30.93909 248.4363       200.6109 236.2333       219.8053 309.2948       490.8684 83.27246 32.00309 96.24902 42.90903 -12.97655      53.52927 
1 1 1 12  31 29 o 83.20860 30.06417 247.4674       188.1734 288.9374       198.6467 -114.9933      587.2794 88.22722 30.99401 84.11625 40.47092 4.110970       50.97572 
1 1 1 12  31 30 o 49.66908 23.71910 -175.4956      193.5191 -149.6404      208.1918 -339.7710      524.7787 53.02290 25.11392 74.58578 36.43030 -21.56288      44.24789 
1 1 1 12  31 31 o 50.54767 24.08614 -163.8433      197.3024 -6.583695      220.2706 -802.1394      443.7711 62.12995 28.13038 59.07921 29.62781 3.050739       40.85493 
1 1 1 12  31 32 o 86.49681 31.74669 288.3286       210.9938 399.8783       238.9519 -106.4368      449.5168 98.11537 34.02463 75.29020 36.00757 22.82517       49.54009 
1 1 1 12  31 33 o 71.68434 30.43760 134.9493       222.7983 308.2554       258.1073 -371.6823      441.3055 87.59694 34.39349 66.87132 32.81712 20.72562       47.53815 
1 1 1 12  31 34 o 66.77061 29.51277 67.89683       227.2852 119.5257       273.9509 -46.12682      407.1212 73.43194 32.43165 73.67381 34.96052 -0.2418747     47.68700 
1 1 1 12  31 35 o 60.78320 27.94748 -25.63518      228.4705 -226.5771      306.5295 225.5267       342.6998 59.75213 28.87040 82.15015 36.27819 -22.39802      46.36385 
1 1 1 12  32 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  32 1  o 462.4052 17.72138 6433.300       479.6961 0.000000       0.000000 6433.300       479.6961 ?        ?        462.4052 17.72138 0.000000       17.72138 
1 1 1 12  32 2  o 369.9795 9.202800 4040.799       199.6862 5461.620       470.3658 3728.428       220.5474 425.2306 18.90811 354.8504 10.60948 70.38025       21.68127 
1 1 1 12  32 3  o 389.1461 9.237138 4470.729       210.8146 4317.948       429.3675 4519.259       241.9913 377.6455 19.45182 390.7070 10.57054 -13.06152      22.13842 
1 1 1 12  32 4  o 73.20025 22.87921 163.5385       109.0134 39.91000       348.7853 176.9231       114.7629 86.98390 37.53015 75.85486 23.43733 11.12904       44.24727 
1 1 1 12  32 5  o 65.47894 23.64761 113.1136       116.4056 -36.93983      343.0219 132.6428       123.7490 81.85273 36.21412 69.28166 24.45243 12.57107       43.69650 
1 1 1 12  32 6  o 238.6129 10.52184 1687.904       146.8814 1774.330       357.4402 1670.345       161.1127 238.3030 25.99653 237.0834 11.62262 1.219650       28.47639 
1 1 1 12  32 7  o 164.1266 14.03857 808.3713       133.8338 447.8117       324.3743 882.3419       146.9222 117.2926 39.67258 171.3196 14.76675 -54.02702      42.33168 
1 1 1 12  32 8  o 259.8295 10.78576 2002.472       164.0002 2431.033       363.2270 1892.734       183.8018 281.3721 22.19085 252.1126 12.46965 29.25952       25.45439 
1 1 1 12  32 9  o 192.2721 17.34544 1120.385       193.4915 503.2571       343.9223 1406.180       234.0450 122.7422 40.84311 215.0110 18.74773 -92.26877      44.94037 
1 1 1 12  32 10 o 327.0957 13.05851 3189.739       250.0030 3593.585       377.6968 2874.830       333.5244 344.2547 18.77848 307.9287 18.55438 36.32596       26.39880 
1 1 1 12  32 11 o 553.8381 17.75352 9265.654       575.9123 9265.654       575.9123 0.000000       0.000000 553.8381 17.75352 ?        ?        0.000000       17.75352 
1 1 1 12  32 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  32 13 o 260.0507 24.77885 2122.488       373.3485 2122.488       373.3485 0.000000       0.000000 260.0507 24.77885 ?        ?        0.000000       24.77885 
1 1 1 12  32 14 o 295.9178 21.17871 2704.019       365.1237 2704.019       365.1237 0.000000       0.000000 295.9178 21.17871 ?        ?        0.000000       21.17871 
1 1 1 12  32 15 o 132.0461 34.67309 603.9454       271.8970 603.9454       271.8970 0.000000       0.000000 132.0461 34.67309 ?        ?        0.000000       34.67309 
1 1 1 12  32 16 o 49.44805 23.94330 -307.1003      213.6968 -357.1067      253.9629 -185.8305      395.4885 53.78319 26.05656 77.74453 36.10517 -23.96134      44.52559 
1 1 1 12  32 17 o 78.31553 30.31221 159.7081       198.2000 98.08274       228.6944 345.6708       397.2726 75.50583 31.36721 105.8903 42.31871 -30.38450      52.67614 
1 1 1 12  32 18 o 159.5260 27.62774 848.6840       249.1224 848.6840       249.1224 0.000000       0.000000 159.5260 27.62774 ?        ?        0.000000       27.62774 
1 1 1 12  32 19 o 75.32455 29.24515 150.1379       184.9252 58.51576       208.7108 484.7829       398.8750 69.16068 29.41633 113.7549 43.26030 -44.59421      52.31418 
1 1 1 12  32 20 o 58.37747 26.39850 -54.63614      193.2662 60.99624       215.7352 -524.6204      434.9335 69.87172 29.81899 68.43712 33.36977 1.434601       44.75169 
1 1 1 12  32 21 o 61.22001 27.14554 -11.85616      193.7831 -19.96402      215.0792 23.11093       446.6580 63.53749 28.35931 87.18719 39.70390 -23.64970      48.79191 
1 1 1 12  32 22 o 50.05363 23.99983 -226.6398      202.5300 -139.2553      230.6599 -520.7883      423.1928 58.44070 27.28504 66.71420 32.61327 -8.273499      42.52175 
1 1 1 12  32 23 o 93.15350 32.13984 308.3630       213.1004 236.8567       253.8528 479.0051       392.1508 86.80516 34.10096 109.2642 42.54113 -22.45901      54.52177 
1 1 1 12  32 24 o 114.2640 30.56959 477.3946       208.8605 507.0595       249.0372 407.0527       383.4857 114.9586 34.32508 102.7039 41.39366 12.25468       53.77403 
1 1 1 12  32 25 o 190.4607 18.93300 1161.313       208.6856 1148.953       247.2092 1191.964       389.2795 185.6793 23.20660 170.7017 39.64531 14.97760       45.93797 
1 1 1 12  32 26 o 79.50713 30.55567 204.5142       200.3710 168.9219       235.1426 298.8768       382.8716 78.04583 32.05334 93.63252 39.83419 -15.58669      51.12905 
1 1 1 12  32 27 o 60.26701 26.96330 -5.271363      195.6494 50.30910       220.3848 -212.0141      425.0458 67.02018 29.36135 72.80434 34.87107 -5.784164      45.58597 
1 1 1 12  32 28 o 69.25546 28.72661 116.5292       191.3970 56.78942       209.8506 412.0851       466.7650 66.00552 28.78948 98.85873 43.03047 -32.85321      51.77312 
1 1 1 12  32 29 o 74.99540 30.11273 173.3818       202.1302 159.3517       221.9596 241.5462       489.2396 74.85867 30.98252 90.44680 41.32803 -15.58813      51.65193 
1 1 1 12  32 30 o 44.43399 21.82012 -306.2132      196.0964 -253.5862      222.7650 -487.3798      413.3155 50.19980 24.34016 62.83865 31.01584 -12.63885      39.42620 
1 1 1 12  32 31 o 81.78093 31.04236 246.5353       205.1480 264.1834       238.2377 195.9110       403.4968 84.00397 33.02494 84.37959 38.15143 -0.3756180     50.45967 
1 1 1 12  32 32 o 57.39464 26.46823 -49.49188      207.0876 38.16141       248.9402 -246.4449      373.1576 66.83239 30.11507 65.18809 31.58262 1.644302       43.63920 
1 1 1 12  32 33 o 86.40755 32.00198 298.1245       215.2237 115.8726       277.5807 572.8459       340.7999 73.33786 32.50537 107.0731 40.14882 -33.73524      51.65779 
1 1 1 12  32 34 o 75.37653 31.73249 180.6428       238.7697 467.1803       310.6030 -233.3065      373.3262 98.92611 38.03688 64.94666 31.49495 33.97945       49.38356 
1 1 1 12  33 0  o 365.9523 9.575940 3960.888       205.3445 3837.189       396.0485 4006.368       240.1444 355.7313 19.05299 367.4902 11.15525 -11.75891      22.07840 
1 1 1 12  33 1  o 234.6249 10.49213 1632.782       144.0085 2155.756       355.8750 1530.376       157.4781 264.1745 23.20529 226.7669 11.88250 37.40767       26.07066 
1 1 1 12  33 2  o 141.8406 24.66973 636.0550       197.7705 122.6764       355.6318 865.9046       237.9598 92.40923 38.80438 165.7355 25.28049 -73.32625      46.31288 
1 1 1 12  33 3  o 63.45113 23.48058 100.8816       115.8230 -504.9430      347.3341 176.6758       122.8548 62.60251 30.36303 76.08988 24.35306 -13.48737      38.92281 
1 1 1 12  33 4  o 47.13963 20.78767 -25.72036      112.1422 58.82301       349.9117 -35.39799      118.3868 87.74157 37.72107 47.60506 21.15686 40.13651       43.24918 
1 1 1 12  33 5  o 120.5053 18.32449 447.5505       125.4313 249.8595       350.2225 476.6395       134.3429 100.7629 39.90810 124.2052 19.04962 -23.44236      44.22154 
1 1 1 12  33 6  o 72.85079 26.72198 140.5556       149.4534 -149.2084      337.4754 211.2496       166.6906 74.89248 34.26003 83.77869 28.43870 -8.886208      44.52538 
1 1 1 12  33 7  o 100.4072 23.69531 322.6476       137.2699 441.7458       338.8627 299.2671       150.1405 116.1021 40.50285 96.33638 25.98256 19.76576       48.12041 
1 1 1 12  33 8  o 152.3468 22.65775 727.2762       196.2888 1221.348       352.7299 505.6385       236.2484 192.7061 32.35576 122.9853 32.33293 69.72083       45.74181 
1 1 1 12  33 9  o 374.5298 11.68372 4173.421       256.3224 4251.700       422.1312 4127.703       322.6042 373.4024 19.34205 370.8260 14.86381 2.576416       24.39360 
1 1 1 12  33 10 o 118.4596 26.11396 455.4166       176.5312 551.8757       337.8196 419.1819       207.0498 125.7299 40.39736 112.2214 30.61580 13.50851       50.68801 
1 1 1 12  33 11 o 110.6902 39.69351 401.0666       327.2988 401.0666       327.2988 0.000000       0.000000 110.6902 39.69351 ?        ?        0.000000       39.69351 
1 1 1 12  33 12 o 239.5226 23.61289 1804.692       327.3914 1804.692       327.3914 0.000000       0.000000 239.5226 23.61289 ?        ?        0.000000       23.61289 
1 1 1 12  33 13 o 52.77306 26.05983 -566.6694      292.9691 -566.6694      292.9691 0.000000       0.000000 52.77306 26.05983 ?        ?        0.000000       26.05983 
1 1 1 12  33 14 o 208.2320 24.96409 1392.812       298.7994 1392.812       298.7994 0.000000       0.000000 208.2320 24.96409 ?        ?        0.000000       24.96409 
1 1 1 12  33 15 o 125.4899 34.04985 558.4634       256.9221 558.4634       256.9221 0.000000       0.000000 125.4899 34.04985 ?        ?        0.000000       34.04985 
1 1 1 12  33 16 o 92.40102 33.84121 275.5603       239.5526 275.5603       239.5526 0.000000       0.000000 92.40102 33.84121 ?        ?        0.000000       33.84121 
1 1 1 12  33 17 o 80.31346 30.08148 191.3230       191.2056 159.7032       219.8748 289.4113       387.2620 79.17115 31.53527 99.32481 40.99879 -20.15366      51.72401 
1 1 1 12  33 18 o 73.66814 29.69452 126.4046       197.3735 64.84871       230.2652 296.8886       383.2086 71.74548 30.71740 98.91301 40.80175 -27.16753      51.07193 
1 1 1 12  33 19 o 167.0441 20.47067 891.2303       196.3591 884.4275       220.0913 917.7698       434.7134 164.3501 23.50239 146.2151 45.68620 18.13499       51.37695 
1 1 1 12  33 20 o 70.57960 29.56522 89.59246       205.6677 145.5147       233.5852 -103.3047      433.8263 77.98358 31.97847 80.68562 37.58707 -2.702034      49.34988 
1 1 1 12  33 21 f 59.75613 26.97648 -41.19350      200.8275 -12.59918      228.8678 -136.9091      418.7321 65.27101 29.18517 77.70154 36.43433 -12.43053      46.68227 
1 1 1 12  33 22 o 58.92231 26.67065 -43.12243      197.8390 -49.68975      227.1334 -22.47500      402.7355 62.38219 28.37102 80.28262 36.98289 -17.90042      46.61168 
1 1 1 12  33 23 o 78.88547 31.32685 185.5056       216.3457 265.3933       252.0897 -37.81219      421.4799 88.02602 34.15409 80.00140 37.19396 8.024620       50.49646 
1 1 1 12  33 24 o 93.57271 31.83693 325.4943       208.9213 416.7529       245.9629 89.09418       395.8736 103.2016 34.54439 83.20824 37.68903 19.99335       51.12512 
1 1 1 12  33 25 o 69.45784 28.79673 111.7278       192.2037 64.83806       219.7101 264.6118       396.7274 68.17118 29.59917 91.43589 39.73663 -23.26471      49.54907 
1 1 1 12  33 26 o 71.90029 29.23419 140.4519       193.1930 222.8065       224.0381 -98.38793      381.5323 81.56696 32.03807 73.20387 34.46714 8.363091       47.05764 
1 1 1 12  33 27 o 54.01105 25.12455 -90.59406      192.7380 -158.0898      217.1832 159.6241       418.1646 53.86712 25.55376 85.08770 38.61784 -31.22058      46.30693 
1 1 1 12  33 28 o 49.81229 23.94374 -203.5524      204.4480 -288.1533      231.6404 94.65654       434.8975 50.20879 24.45298 82.21497 38.07036 -32.00617      45.24710 
1 1 1 12  33 29 o 81.54208 31.43940 241.5497       212.6135 378.5069       249.1476 -125.4369      407.8395 95.44212 34.57874 72.25271 34.48438 23.18941       48.83504 
1 1 1 12  33 30 o 76.96270 30.84300 199.5998       211.6248 374.8079       246.6471 -289.2987      412.0106 94.57576 34.38464 67.18933 32.69799 27.38643       47.44957 
1 1 1 12  33 31 o 88.00240 32.03196 311.3831       214.1358 357.9132       254.4322 198.3840       396.4990 91.86498 34.63805 82.98190 37.63913 8.883080       51.15173 
1 1 1 12  33 32 o 93.85036 32.56593 366.0797       218.9183 433.1009       277.5518 255.7386       356.1285 97.99829 36.33292 84.51075 37.16440 13.48754       51.97378 
1 1 1 12  33 33 o 59.24454 27.66313 -67.73936      237.1944 -74.99744      303.9185 -56.42942      379.3817 64.99894 30.65255 70.91395 33.67909 -5.915009      45.53965 
1 1 1 12  34 0  o 302.9916 9.870103 2720.974       175.1551 2656.386       368.6074 2739.812       199.0652 293.5726 21.55944 303.5769 11.20008 -10.00430      24.29509 
1 1 1 12  34 1  o 286.6630 10.00742 2436.691       167.9878 2133.137       369.4418 2515.812       188.6145 261.1165 24.40746 290.9254 11.07482 -29.80890      26.80253 
1 1 1 12  34 2  o 251.8091 10.37499 1882.570       152.8897 2425.607       379.7101 1777.494       167.0278 279.1985 23.40454 244.2603 11.69361 34.93828       26.16320 
1 1 1 12  34 3  o 220.7198 11.27470 1450.656       145.4640 1652.971       342.3605 1406.087       160.6898 228.5309 26.00606 216.8536 12.69034 11.67726       28.93717 
1 1 1 12  34 4  o 145.7266 15.44405 644.5970       129.9861 454.8149       359.4411 673.1508       139.4222 116.8758 41.63245 148.6877 16.25286 -31.81197      44.69247 
1 1 1 12  34 5  f 131.8939 17.44397 534.5751       131.6287 638.9467       337.4901 515.8499       142.9496 134.4703 39.91171 128.7970 19.53696 5.673370       44.43689 
1 1 1 12  34 6  o 43.19667 20.09929 -100.9776      123.4754 -247.8928      318.6228 -75.01508      133.9419 67.46577 31.68145 47.40205 21.64610 20.06371       38.37015 
1 1 1 12  34 7  o 194.8156 13.03701 1138.671       148.0967 779.3933       329.8747 1229.365       165.7383 149.0096 37.71879 202.0872 14.07199 -53.07761      40.25826 
1 1 1 12  34 8  o 52.68282 24.05814 -86.14594      165.4683 -20.97140      312.7075 -111.4912      195.0058 77.60180 34.44236 56.21678 25.83757 21.38502       43.05643 
1 1 1 12  34 9  o 157.5868 15.32256 755.4009       139.8268 874.6246       301.2109 722.6512       157.8675 160.1816 33.15639 153.1026 17.92033 7.079056       37.68931 
1 1 1 12  34 10 o 56.87622 24.83215 -8.069706      156.4576 37.19504       304.3675 -24.32596      182.4015 79.54025 34.68277 59.83501 26.44331 19.70524       43.61356 
1 1 1 12  34 11 o 121.2808 38.53585 533.3594       308.0654 533.3594       308.0654 0.000000       0.000000 121.2808 38.53585 ?        ?        0.000000       38.53585 
1 1 1 12  34 12 o 113.3961 38.28727 462.2097       302.1131 462.2097       302.1131 0.000000       0.000000 113.3961 38.28727 ?        ?        0.000000       38.28727 
1 1 1 12  34 13 o 82.43256 35.23139 105.3779       301.9539 105.3779       301.9539 0.000000       0.000000 82.43256 35.23139 ?        ?        0.000000       35.23139 
1 1 1 12  34 14 o 96.50427 35.95069 308.7089       272.3559 308.7089       272.3559 0.000000       0.000000 96.50427 35.95069 ?        ?        0.000000       35.95069 
1 1 1 12  34 15 o 136.1727 32.06393 658.2827       251.8044 658.2827       251.8044 0.000000       0.000000 136.1727 32.06393 ?        ?        0.000000       32.06393 
1 1 1 12  34 16 o 91.40362 32.65525 282.0932       221.3021 282.0932       221.3021 0.000000       0.000000 91.40362 32.65525 ?        ?        0.000000       32.65525 
1 1 1 12  34 17 o 103.8222 30.26314 382.8041       195.5241 405.4410       224.1623 310.8016       399.7865 105.6610 32.77425 99.40383 41.39845 6.257141       52.80136 
1 1 1 12  34 18 o 120.8817 29.93993 519.2037       211.1411 562.7973       241.7032 378.7819       433.7991 123.9032 32.76573 104.0053 43.20327 19.89790       54.22284 
1 1 1 12  34 19 o 66.28895 29.89020 -27.80252      245.7079 -27.80252      245.7079 0.000000       0.000000 66.28895 29.89020 ?        ?        0.000000       29.89020 
1 1 1 12  34 20 o 72.80979 29.95949 122.5502       205.9294 65.62534       239.3003 285.0246       404.2825 71.36295 30.93832 95.72254 40.83481 -24.35960      51.23145 
1 1 1 12  34 21 o 38.58013 19.43377 -563.6982      202.1496 -547.3829      232.2618 -614.6660      410.5144 43.38118 21.70864 61.98781 30.65377 -18.60662      37.56219 
1 1 1 12  34 22 o 125.7067 29.02918 572.1594       209.6941 525.3040       236.8121 742.3153       451.2817 116.8357 33.07413 123.0814 46.19025 -6.245712      56.81054 
1 1 1 12  34 23 o 62.83123 28.13356 -2.405236      213.4711 143.4919       245.6876 -451.8580      431.2230 76.46250 32.18924 66.93831 32.76481 9.524193       45.93126 
1 1 1 12  34 24 o 62.78683 28.11390 2.016993       213.1774 -31.79077      244.9150 107.6919       433.0053 64.23882 29.31005 84.70337 38.77037 -20.46455      48.60268 
1 1 1 12  34 25 o 102.0971 32.89297 413.4386       223.8641 478.3550       260.7481 231.4297       436.6062 107.3112 35.55851 89.33037 40.09841 17.98080       53.59375 
1 1 1 12  34 26 o 76.24184 30.94965 179.3803       216.1241 181.5283       246.2398 172.1747       450.9958 77.97980 32.48411 86.34492 39.53895 -8.365120      51.17173 
1 1 1 12  34 27 o 79.68813 31.21189 222.3972       212.1231 164.3759       239.3171 435.0588       458.1680 75.69628 31.81211 97.41043 42.51240 -21.71415      53.09722 
1 1 1 12  34 28 o 106.0760 32.64511 459.0438       222.9141 410.7984       258.3361 599.6765       441.0629 98.15540 35.25663 106.2053 43.78804 -8.049904      56.21764 
1 1 1 12  34 29 o 80.84566 31.45278 241.2260       214.2368 419.4784       255.7842 -177.7245      392.1367 98.44196 35.11421 68.77011 33.08307 29.67185       48.24414 
1 1 1 12  34 30 o 48.69403 23.60487 -232.4026      209.2107 28.24779       253.2007 -793.2491      371.4135 66.35915 30.09092 52.31013 26.34890 14.04902       39.99660 
1 1 1 12  34 31 o 72.73956 30.84056 151.3982       228.1704 147.7897       268.0025 160.9039       434.9761 74.61114 32.53903 82.06823 38.02727 -7.457092      50.04859 
1 1 1 12  35 0  o 314.6223 11.05016 2948.807       203.5795 0.000000       0.000000 2948.807       203.5795 ?        ?        314.6223 11.05016 0.000000       11.05016 
1 1 1 12  35 1  o 47.10788 20.72253 -19.55517      110.8019 -127.0446      338.3776 -6.645522      117.2670 74.67285 34.21439 49.78405 21.61993 24.88880       40.47278 
1 1 1 12  35 2  f 96.73875 31.36075 308.0218       203.2970 -20.34675      344.4013 483.6287       251.8575 80.62156 35.94193 118.1858 34.31758 -37.56429      49.69426 
1 1 1 12  35 3  o 58.25630 22.99516 68.16667       115.9176 -212.8012      351.4207 102.4693       122.7900 72.17573 33.69135 63.92175 24.07145 8.253975       41.40702 
1 1 1 12  35 4  o 180.7292 12.90662 982.7502       135.9012 1006.900       345.4532 978.3285       147.8203 169.7694 35.82377 179.8723 14.12588 -10.10292      38.50822 
1 1 1 12  35 5  o 173.6958 13.17755 909.6246       133.2361 604.0646       335.9408 966.6595       145.1391 128.4055 40.16800 178.7961 13.95165 -50.39056      42.52196 
1 1 1 12  35 6  o 87.60566 23.36190 250.1432       122.2263 -393.7722      341.3867 344.8194       130.9039 63.86534 30.76027 103.2981 22.26452 -39.43281      37.97240 
1 1 1 12  35 7  o 153.5649 15.79693 722.3901       140.2437 964.9128       345.7642 674.6349       153.4313 164.1614 36.82271 147.3649 18.13492 16.79643       41.04616 
1 1 1 12  35 8  o 163.9647 15.06702 820.4567       143.2679 495.9001       320.8131 901.3077       160.1215 116.5567 39.45404 171.4433 16.11390 -54.88651      42.61782 
1 1 1 12  35 9  o 135.5535 21.76861 588.6632       167.2012 393.3509       305.9275 671.8530       199.6590 106.0902 38.33330 143.4048 24.62654 -37.31460      45.56214 
1 1 1 12  35 10 f 202.9264 26.74707 1359.302       310.5779 1359.302       310.5779 0.000000       0.000000 202.9264 26.74707 ?        ?        0.000000       26.74707 
1 1 1 12  35 11 o 110.1287 36.68919 443.7130       277.5062 443.7130       277.5062 0.000000       0.000000 110.1287 36.68919 ?        ?        0.000000       36.68919 
1 1 1 12  35 12 o 182.4830 26.79064 1111.024       278.1868 1111.024       278.1868 0.000000       0.000000 182.4830 26.79064 ?        ?        0.000000       26.79064 
1 1 1 12  35 13 o 191.0786 25.70696 1210.037       280.7784 1210.037       280.7784 0.000000       0.000000 191.0786 25.70696 ?        ?        0.000000       25.70696 
1 1 1 12  35 14 o 133.7507 32.90877 649.5596       256.3488 649.5596       256.3488 0.000000       0.000000 133.7507 32.90877 ?        ?        0.000000       32.90877 
1 1 1 12  35 15 o 59.71029 27.53447 -98.58299      224.0605 -98.58299      224.0605 0.000000       0.000000 59.71029 27.53447 ?        ?        0.000000       27.53447 
1 1 1 12  35 16 f 69.30840 29.89695 55.57970       221.2358 55.57970       221.2358 0.000000       0.000000 69.30840 29.89695 ?        ?        0.000000       29.89695 
1 1 1 12  35 17 o 55.37203 25.50035 -86.52267      191.2821 -48.39003      220.7020 -201.6357      383.4599 61.84786 28.06438 72.14404 34.14470 -10.29617      44.19808 
1 1 1 12  35 18 o 80.31529 30.71610 202.5087       201.8147 277.5327       236.0254 -1.490384      389.2002 89.44740 33.43818 80.07559 36.69140 9.371811       49.64243 
1 1 1 12  35 19 o 190.8495 18.39341 1159.307       203.3279 1367.071       242.1503 662.6509       374.3931 205.6041 20.34840 122.0625 42.57391 83.54164       47.18681 
1 1 1 12  35 20 o 94.08063 31.41859 328.9027       203.4808 311.6387       236.5657 378.0002       398.9433 91.81400 33.62903 98.98963 41.30036 -7.175629      53.26004 
1 1 1 12  35 21 o 71.09061 29.85133 110.9713       210.4481 98.43198       241.3927 150.6899       429.6191 72.72728 31.29914 87.24833 39.41550 -14.52105      50.33108 
1 1 1 12  35 22 o 76.18444 31.44067 160.1239       227.6821 331.3853       264.3850 -331.4553      447.9234 92.89526 35.24513 70.86450 34.39595 22.03075       49.24734 
1 1 1 12  35 23 o 73.23760 30.65529 135.7452       220.8580 73.31896       253.4331 332.8341       450.3093 71.15029 31.31789 94.72540 41.71855 -23.57510      52.16558 
1 1 1 12  35 24 o 60.15041 27.37264 -27.38552      211.8311 133.5925       246.8447 -477.1693      412.6126 74.39544 31.82688 63.51088 31.27911 10.88456       44.62436 
1 1 1 12  35 25 o 46.17358 22.71640 -340.0542      215.7293 -322.4067      251.0909 -389.8072      421.5988 51.44842 25.14430 65.91676 32.29242 -14.46834      40.92720 
1 1 1 12  35 26 o 56.67650 26.26138 -68.91273      207.4388 -95.15874      237.0598 16.86478       428.5613 58.80702 27.52286 78.16581 36.71771 -19.35879      45.88789 
1 1 1 12  35 27 o 67.87430 29.34271 92.28860       214.0323 168.2068       243.2000 -168.4858      450.7369 75.67689 31.95121 73.01437 35.21152 2.662521       47.54715 
1 1 1 12  35 28 o 74.31092 30.17498 179.7865       205.5131 347.3453       241.8303 -255.8195      389.9185 91.11191 33.88889 65.97482 32.03863 25.13708       46.63615 
1 1 1 12  35 29 o 43.28112 21.31058 -306.0760      191.1231 -385.2135      248.2098 -190.8156      299.5487 48.47937 23.94830 60.42997 29.03059 -11.95059      37.63371 
1 1 1 12  35 30 o 67.15547 28.67599 107.5827       199.7148 -106.4492      258.7574 422.9524       314.0969 59.70858 28.19591 95.10773 37.75363 -35.39915      47.12054 
1 1 1 12  36 0  o 195.8932 11.62732 1152.149       132.9815 1390.134       330.3412 1106.125       145.2724 204.4194 28.31361 191.3613 13.02188 13.05818       31.16456 
1 1 1 12  36 1  o 249.7311 24.18491 2005.208       349.7871 2005.208       349.7871 0.000000       0.000000 249.7311 24.18491 ?        ?        0.000000       24.18491 
1 1 1 12  36 2  o 113.5463 17.93843 404.8587       115.4933 477.5053       340.2915 395.4012       122.7811 113.9449 40.51668 111.5564 19.47479 2.388512       44.95407 
1 1 1 12  36 3  o 234.6154 10.71703 1646.306       147.0730 1398.734       340.1602 1703.227       163.1065 203.9351 29.27927 238.1958 11.71171 -34.26064      31.53474 
1 1 1 12  36 4  o 43.06229 19.85423 -75.29157      116.4290 -349.7892      322.7050 -34.21300      124.8372 62.37498 30.00788 48.26456 21.56967 14.11042       36.95570 
1 1 1 12  36 5  o 148.9657 14.84365 679.8544       127.9571 914.9498       329.0094 637.9577       138.8916 158.3687 36.21322 143.3917 16.83621 14.97696       39.93564 
1 1 1 12  36 6  o 205.9799 11.84138 1277.023       142.4438 1097.286       325.4575 1319.611       158.4232 176.9231 32.56563 208.8512 12.99838 -31.92816      35.06392 
1 1 1 12  36 7  o 94.80254 23.83165 299.2842       132.3385 931.7241       315.8623 164.6280       145.7476 160.7468 34.53468 73.80321 26.48527 86.94356       43.52141 
1 1 1 12  36 8  o 84.88906 27.38638 240.4863       155.1495 -167.7090      289.1347 405.5496       183.8618 65.05936 30.43180 108.1569 28.56617 -43.09757      41.73872 
1 1 1 12  36 9  o 177.7593 17.91094 987.6507       184.1813 662.9796       301.2328 1181.492       232.7571 132.0755 37.27304 192.4538 20.96004 -60.37827      42.76217 
1 1 1 12  36 10 o 121.8197 23.12086 489.3548       159.1451 1148.723       293.2774 214.1622       189.4667 183.8437 28.09072 82.23307 30.09960 101.6106       41.17128 
1 1 1 12  36 11 o 112.7668 36.95019 484.7568       281.8381 484.7568       281.8381 0.000000       0.000000 112.7668 36.95019 ?        ?        0.000000       36.95019 
1 1 1 12  36 12 o 185.4749 26.99735 1164.451       285.0548 1164.451       285.0548 0.000000       0.000000 185.4749 26.99735 ?        ?        0.000000       26.99735 
1 1 1 12  36 13 o 161.6536 28.28735 901.7766       258.4179 901.7766       258.4179 0.000000       0.000000 161.6536 28.28735 ?        ?        0.000000       28.28735 
1 1 1 12  36 14 o 82.78216 33.41349 194.0758       250.2802 194.0758       250.2802 0.000000       0.000000 82.78216 33.41349 ?        ?        0.000000       33.41349 
1 1 1 12  36 15 o 65.00190 29.25620 -21.10538      234.1670 -21.10538      234.1670 0.000000       0.000000 65.00190 29.25620 ?        ?        0.000000       29.25620 
1 1 1 12  36 16 o 77.06454 31.91443 147.7672       235.7058 147.7672       235.7058 0.000000       0.000000 77.06454 31.91443 ?        ?        0.000000       31.91443 
1 1 1 12  36 17 o 68.24794 30.36615 22.95262       244.5986 22.95262       244.5986 0.000000       0.000000 68.24794 30.36615 ?        ?        0.000000       30.36615 
1 1 1 12  36 18 o 147.7306 24.07670 741.1956       201.4242 849.5398       238.7018 473.2763       375.3659 155.6004 27.14403 105.1931 41.42372 50.40733       49.52497 
1 1 1 12  36 19 o 87.33726 30.42886 276.7122       191.2260 252.6784       228.1664 333.4398       350.5401 85.16627 32.63780 94.57380 39.01903 -9.407532      50.86955 
1 1 1 12  36 20 o 59.61703 27.77867 -100.4771      237.1671 -100.4771      237.1671 0.000000       0.000000 59.61703 27.77867 ?        ?        0.000000       27.77867 
1 1 1 12  36 21 o 95.18220 32.56599 352.8013       218.6539 413.6802       251.8781 166.6197       440.4791 100.8358 34.93465 86.76555 39.47940 14.07026       52.71672 
1 1 1 12  36 22 o 89.27483 32.84569 306.8304       226.0761 196.5494       260.7719 640.5182       453.6079 79.96902 33.37976 110.8081 44.89027 -30.83906      55.94055 
1 1 1 12  36 23 o 51.14245 24.71888 -239.7716      225.1846 -91.88190      264.0575 -634.0882      431.1735 62.18752 29.08643 61.25702 30.48377 0.9304962      42.13408 
1 1 1 12  36 24 o 59.93173 27.68295 -53.67425      227.8559 -116.5161      269.5716 103.5576       426.4026 61.28336 28.89061 81.32114 37.67049 -20.03778      47.47350 
1 1 1 12  36 25 o 88.80196 33.03337 315.2701       229.7867 336.9141       272.4763 261.9694       427.5896 90.44093 35.38892 87.71500 39.50163 2.725929       53.03540 
1 1 1 12  36 26 o 49.69407 24.08870 -239.0536      217.8196 -228.8260      258.9461 -263.8018      402.8031 55.13169 26.61262 66.80511 32.46986 -11.67342      41.98241 
1 1 1 12  36 27 o 54.86058 25.65009 -86.00775      205.0398 -297.7704      259.9198 262.8890       333.6284 52.61170 25.68463 84.29726 36.53825 -31.68556      44.66256 
1 1 1 12  36 28 o 59.45163 26.81126 5.972190       197.7814 245.7841       265.3234 -293.9358      296.7114 81.46305 33.80913 56.58538 27.58447 24.87767       43.63440 
1 1 1 12  36 29 o 77.01774 30.60684 215.8193       206.6553 389.7988       279.9037 7.342154       306.3999 92.77286 35.99088 68.61887 31.83701 24.15398       48.05142 
1 1 1 12  37 0  o 230.7824 11.22869 1600.983       151.5224 1743.952       340.7679 1565.750       169.1656 229.5399 25.75719 227.4307 12.73357 2.109177       28.73285 
1 1 1 12  37 1  o 135.8945 16.24138 574.1732       126.8821 291.5239       342.1481 619.2416       136.6237 96.41237 39.01278 140.8828 16.87058 -44.47038      42.50428 
1 1 1 12  37 2  o 146.7378 15.24611 664.1910       129.2950 425.6460       326.2740 708.6296       140.8242 106.8677 39.43428 151.1774 16.13224 -44.30977      42.60647 
1 1 1 12  37 3  o 70.51611 29.41234 90.00691       202.2469 -137.0715      315.6986 248.0750       263.3946 69.11339 32.15160 89.33450 34.84102 -20.22112      47.40909 
1 1 1 12  37 4  o 128.5447 16.91468 517.3954       124.4258 634.3942       330.5021 498.0743       134.3073 126.4802 39.88040 125.1387 18.88782 1.341492       44.12704 
1 1 1 12  37 5  o 120.8333 18.26993 463.0407       125.4331 494.4822       337.9550 458.0175       135.0818 112.4866 40.33488 119.3033 20.01416 -6.816750      45.02743 
1 1 1 12  37 6  f 125.0643 18.58261 497.0936       132.1619 473.0631       322.6539 501.9383       144.8729 110.5072 39.43576 124.6687 20.52820 -14.16144      44.45882 
1 1 1 12  37 7  o 214.4950 12.04326 1391.046       150.8912 1480.783       328.4606 1367.043       169.8775 208.9480 27.46829 211.6641 13.75936 -2.716187      30.72176 
1 1 1 12  37 8  o 40.29868 19.18865 -137.6075      124.7633 9.693504       296.5835 -169.2788      137.5235 74.02264 33.15165 41.16239 19.74717 32.86025       38.58734 
1 1 1 12  37 9  o 77.28921 27.47422 191.5292       156.4601 -60.29020      300.8634 284.8752       183.1778 70.58450 32.31151 90.36098 29.79809 -19.77647      43.95406 
1 1 1 12  37 10 o 40.61592 19.62805 -195.4388      141.8482 117.0741       304.3369 -282.1704      160.3280 80.83915 34.96857 40.31284 19.78291 40.52631       40.17666 
1 1 1 12  37 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  37 12 o 101.7643 37.41500 397.9097       293.2695 397.9097       293.2695 0.000000       0.000000 101.7643 37.41500 ?        ?        0.000000       37.41500 
1 1 1 12  37 13 o 70.81580 31.64236 19.78752       268.5296 19.78752       268.5296 0.000000       0.000000 70.81580 31.64236 ?        ?        0.000000       31.64236 
1 1 1 12  37 14 o 122.0818 33.51957 573.1965       247.2754 573.1965       247.2754 0.000000       0.000000 122.0818 33.51957 ?        ?        0.000000       33.51957 
1 1 1 12  37 15 o 60.99075 28.41667 -107.8546      248.1142 -107.8546      248.1142 0.000000       0.000000 60.99075 28.41667 ?        ?        0.000000       28.41667 
1 1 1 12  37 16 o 67.85556 30.33225 19.66205       247.0262 19.66205       247.0262 0.000000       0.000000 67.85556 30.33225 ?        ?        0.000000       30.33225 
1 1 1 12  37 17 o 67.51579 30.23433 18.44002       246.6118 18.44002       246.6118 0.000000       0.000000 67.51579 30.23433 ?        ?        0.000000       30.23433 
1 1 1 12  37 18 o 85.75448 34.69984 253.2707       270.6769 253.2707       270.6769 0.000000       0.000000 85.75448 34.69984 ?        ?        0.000000       34.69984 
1 1 1 12  37 19 o 76.55841 30.95638 179.1031       215.2502 350.1917       256.6536 -226.6102      395.2267 93.87840 34.91319 69.29533 33.30416 24.58308       48.25037 
1 1 1 12  37 20 o 74.39030 30.81427 156.3026       219.8073 259.8672       259.6859 -105.3794      412.7903 84.98264 34.12869 74.00311 35.14175 10.97953       48.98684 
1 1 1 12  37 21 o 65.07760 29.67246 -8.872687      250.4590 -8.872687      250.4590 0.000000       0.000000 65.07760 29.67246 ?        ?        0.000000       29.67246 
1 1 1 12  37 22 o 81.17902 31.82368 238.2564       220.6829 541.9288       255.6297 -650.2130      437.2501 112.8487 34.99836 60.98684 30.40531 51.86188       46.36127 
1 1 1 12  37 23 o 44.51947 22.08451 -402.1665      219.3475 -455.3057      250.6224 -228.2202      453.4399 47.13302 23.41937 71.53164 34.69339 -24.39862      41.85807 
1 1 1 12  37 24 o 77.62807 31.56049 205.3764       225.1411 56.59649       266.2870 578.3407       421.6104 69.30482 31.19509 104.0596 42.84808 -34.75482      53.00087 
1 1 1 12  37 25 o 52.23659 25.08687 -189.5013      223.3046 -432.3733      287.4689 180.0300       354.5910 51.68279 25.57477 80.26720 36.07463 -28.58442      44.22045 
1 1 1 12  37 26 o 54.58989 25.65124 -99.44353      209.4482 -141.8346      281.8637 -47.17514      312.9835 60.49491 28.81553 67.05406 31.46011 -6.559151      42.66232 
1 1 1 12  37 27 o 49.14062 23.54892 -168.6453      194.3888 -295.2035      267.2800 -26.53462      283.2271 53.30801 26.02917 65.48758 30.46094 -12.17957      40.06728 
1 1 1 12  38 0  o 143.1395 15.30401 635.5397       126.4828 628.9296       344.2858 636.5711       135.9924 123.3579 40.85887 142.6030 16.56868 -19.24510      44.09045 
1 1 1 12  38 1  o 183.8963 12.94480 1030.086       138.7188 414.4184       319.9375 1172.623       153.9413 104.1372 38.93075 195.9593 13.47695 -91.82207      41.19747 
1 1 1 12  38 2  o 56.70744 26.32844 -112.1588      210.0905 -184.0683      314.7330 -54.36547      282.1552 66.23222 31.22159 68.77739 31.41091 -2.545174      44.28807 
1 1 1 12  38 3  o 137.9017 15.39053 590.7902       122.3531 548.7830       309.8273 598.5517       133.1777 117.0799 38.75954 138.1003 16.78763 -21.02036      42.23893 
1 1 1 12  38 4  o 110.9639 19.02049 396.4218       119.3287 411.8224       317.5711 393.8898       128.7647 103.7001 38.78263 109.7043 20.77390 -6.004158      43.99599 
1 1 1 12  38 5  o 63.57555 23.46696 115.8227       115.5601 149.3935       314.2323 110.5724       124.2684 83.34634 35.78758 63.68451 24.16329 19.66184       43.18119 
1 1 1 12  38 6  o 54.25094 23.03312 29.68695       127.5637 34.05508       319.1532 28.85644       139.1631 76.68975 34.36472 56.01789 23.92920 20.67186       41.87529 
1 1 1 12  38 7  o 183.2971 12.89680 1025.144       137.7549 929.8060       309.0115 1048.790       153.8926 157.2342 34.46330 184.5772 14.32853 -27.34302      37.32326 
1 1 1 12  38 8  o 69.32804 26.48901 137.5374       149.9973 129.2691       295.7529 140.4007       174.0420 80.15853 34.57215 71.63883 28.20770 8.519699       44.61959 
1 1 1 12  38 9  o 113.7239 24.40132 442.0687       157.8733 421.2321       285.8575 451.2134       189.3739 103.4399 37.09533 112.0006 28.70183 -8.560646      46.90265 
1 1 1 12  38 10 o 120.7991 21.51629 483.7765       146.8445 454.4513       307.1904 492.4622       167.1829 105.6852 38.38074 119.8557 24.60860 -14.17053      45.59237 
1 1 1 12  38 11 o 93.22736 36.84029 319.5015       297.8269 319.5015       297.8269 0.000000       0.000000 93.22736 36.84029 ?        ?        0.000000       36.84029 
1 1 1 12  38 12 o 171.2928 29.25056 1054.102       283.3070 1054.102       283.3070 0.000000       0.000000 171.2928 29.25056 ?        ?        0.000000       29.25056 
1 1 1 12  38 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  38 14 o 61.58022 28.84051 -119.2203      261.0488 -119.2203      261.0488 0.000000       0.000000 61.58022 28.84051 ?        ?        0.000000       28.84051 
1 1 1 12  38 15 o 132.8764 33.69990 694.0549       262.9661 694.0549       262.9661 0.000000       0.000000 132.8764 33.69990 ?        ?        0.000000       33.69990 
1 1 1 12  38 16 o 96.06237 36.82571 374.8545       290.5424 374.8545       290.5424 0.000000       0.000000 96.06237 36.82571 ?        ?        0.000000       36.82571 
1 1 1 12  38 17 o 71.79801 32.17720 56.38002       279.9204 56.38002       279.9204 0.000000       0.000000 71.79801 32.17720 ?        ?        0.000000       32.17720 
1 1 1 12  38 18 o 114.9756 37.38300 580.4304       288.7527 580.4304       288.7527 0.000000       0.000000 114.9756 37.38300 ?        ?        0.000000       37.38300 
1 1 1 12  38 19 o 116.2170 33.38245 551.2570       239.5203 461.0173       292.4178 735.2433       417.5399 102.0553 37.38731 117.5643 44.36292 -15.50898      58.01620 
1 1 1 12  38 20 o 109.1272 33.06657 490.4433       229.8688 669.5753       278.1348 104.4093       408.3020 124.6622 36.02354 80.31372 37.08323 44.34844       51.69972 
1 1 1 12  38 21 o 71.35910 30.40616 128.7563       223.6951 119.7189       263.2577 152.2302       424.2791 73.27155 32.09550 82.61602 38.02203 -9.344475      49.75737 
1 1 1 12  38 22 o 193.5370 21.16413 1265.414       236.3115 1220.238       279.9197 1377.475       440.8716 183.1188 26.86285 166.5424 44.34979 16.57639       51.85091 
1 1 1 12  38 23 o 67.45175 29.42273 89.86375       219.2229 247.4353       263.3759 -265.5243      395.5383 81.69656 33.77512 65.82430 32.03459 15.87226       46.55076 
1 1 1 12  38 24 o 87.88161 32.00351 315.7098       213.7922 163.5508       268.8322 577.5240       352.6381 75.47125 32.75520 105.7107 40.55887 -30.23941      52.13372 
1 1 1 12  38 25 o 62.27979 27.68102 41.88430       202.7019 261.8326       267.1154 -256.7435      311.2459 82.43810 34.04134 58.99259 28.64251 23.44551       44.48827 
1 1 1 12  38 26 o 60.05975 26.90829 24.75762       195.5904 486.9199       271.0385 -477.4343      282.5326 102.0908 36.17374 49.57705 24.67216 52.51375       43.78647 
1 1 1 12  39 0  o 178.7947 13.62545 982.5667       141.7989 612.0029       313.3733 1077.974       159.0086 121.1160 38.90759 186.6647 14.64183 -65.54868      41.57143 
1 1 1 12  39 1  o 175.4527 13.52867 945.8085       138.1341 1205.173       338.3896 893.9472       151.3155 179.8174 33.31393 169.4215 15.39675 10.39594       36.69983 
1 1 1 12  39 2  o 85.52746 36.48276 196.0604       322.6551 196.0604       322.6551 0.000000       0.000000 85.52746 36.48276 ?        ?        0.000000       36.48276 
1 1 1 12  39 3  o 67.02682 23.77272 140.6160       117.0828 121.3708       314.3000 143.7170       126.1635 80.24046 35.11064 68.07902 24.61447 12.16144       42.87924 
1 1 1 12  39 4  o 179.2743 13.34624 986.9770       139.3158 895.7352       308.5109 1010.349       156.1428 151.7954 35.32087 180.4144 14.88951 -28.61899      38.33094 
1 1 1 12  39 5  o 59.42878 23.40551 86.73087       119.8520 -175.5654      299.6731 136.6750       130.7657 63.77773 30.18496 67.26554 24.93877 -3.487812      39.15449 
1 1 1 12  39 6  o 72.35578 25.21902 172.2626       131.3576 437.9618       295.4947 106.8267       146.6434 103.5367 37.63681 64.77467 25.76918 38.76204       45.61338 
1 1 1 12  39 7  o 52.97999 22.60428 28.20370       123.9127 372.9424       296.2641 -44.88916      136.4179 97.32778 37.21755 48.51713 22.03463 48.81065       43.25126 
1 1 1 12  39 8  o 66.41603 26.37029 116.8124       153.2747 269.2061       295.9464 60.95119       179.1779 88.52341 36.11166 63.55502 27.15071 24.96839       45.17979 
1 1 1 12  39 9  o 181.0410 17.08330 1039.546       179.2395 1135.009       296.4682 984.5508       225.0218 177.0200 29.60087 171.1493 22.99976 5.870682       37.48601 
1 1 1 12  39 10 o 99.60379 28.19198 363.4434       172.0720 0.000000       0.000000 363.4434       172.0720 ?        ?        99.60379 28.19198 0.000000       28.19198 
1 1 1 12  39 11 o 112.1047 37.49694 534.2427       289.8122 534.2427       289.8122 0.000000       0.000000 112.1047 37.49694 ?        ?        0.000000       37.49694 
1 1 1 12  39 12 o 67.77168 30.54540 14.44339       256.2754 14.44339       256.2754 0.000000       0.000000 67.77168 30.54540 ?        ?        0.000000       30.54540 
1 1 1 12  39 13 o 72.15110 31.65274 86.19159       256.9164 86.19159       256.9164 0.000000       0.000000 72.15110 31.65274 ?        ?        0.000000       31.65274 
1 1 1 12  39 14 o 168.0052 29.80661 1046.520       282.9333 1046.520       282.9333 0.000000       0.000000 168.0052 29.80661 ?        ?        0.000000       29.80661 
1 1 1 12  39 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  39 16 o 84.38160 35.55024 246.5303       300.0378 246.5303       300.0378 0.000000       0.000000 84.38160 35.55024 ?        ?        0.000000       35.55024 
1 1 1 12  39 17 o 75.12163 33.41132 112.6625       295.8186 112.6625       295.8186 0.000000       0.000000 75.12163 33.41132 ?        ?        0.000000       33.41132 
1 1 1 12  39 18 o 112.6534 38.41306 588.9101       304.1683 588.9101       304.1683 0.000000       0.000000 112.6534 38.41306 ?        ?        0.000000       38.41306 
1 1 1 12  39 19 o 84.63766 35.26713 268.7373       290.3539 268.7373       290.3539 0.000000       0.000000 84.63766 35.26713 ?        ?        0.000000       35.26713 
1 1 1 12  39 20 o 75.67102 31.78546 178.1952       238.7283 -71.55600      290.7530 694.9148       418.2133 64.60954 30.31609 111.4853 43.77782 -46.87579      53.25000 
1 1 1 12  39 21 o 136.8947 29.92481 728.1975       233.5336 714.6276       283.0522 757.1286       413.2953 126.9661 36.23199 115.3014 43.99049 11.66467       56.99053 
1 1 1 12  39 22 o 79.85249 33.46085 228.7252       263.5731 228.7252       263.5731 0.000000       0.000000 79.85249 33.46085 ?        ?        0.000000       33.46085 
1 1 1 12  39 23 o 51.75231 24.75346 -164.2559      212.5712 -45.74201      252.5044 -452.6067      393.8626 61.83052 28.76041 60.59265 29.97505 1.237873       41.54113 
1 1 1 12  39 24 o 56.55244 26.34070 -63.32969      212.9273 -54.22099      259.7378 -81.99442      371.8072 61.78078 28.88032 69.03783 32.94333 -7.257057      43.81022 
1 1 1 12  40 0  o 153.6323 16.56589 748.3345       146.9048 350.2434       340.0596 839.6725       162.8882 94.83950 38.70150 162.2121 17.39334 -67.37263      42.43034 
1 1 1 12  40 1  o 56.88224 26.33530 -82.57513      207.9756 -568.6276      322.8192 262.3095       271.9285 53.51854 26.59003 86.75155 34.89442 -33.23301      43.87083 
1 1 1 12  40 2  o 87.10391 24.83478 267.2552       133.0426 394.9674       323.5081 241.2590       145.9564 98.20018 38.52056 82.50634 26.55767 15.69384       46.78828 
1 1 1 12  40 3  o 76.42960 31.79839 158.3700       235.5262 328.0460       321.5413 -38.06377      345.9671 92.94138 37.74245 73.01728 33.86134 19.92410       50.70585 
1 1 1 12  40 4  o 91.68235 23.85711 293.2615       129.4914 377.6924       317.5070 276.4160       141.8222 96.72420 38.09494 88.08822 25.80159 8.635979       46.01029 
1 1 1 12  40 5  o 182.2775 13.93849 1029.482       147.8743 1243.393       312.5715 967.8010       167.8454 184.3481 29.93687 174.7988 16.57059 9.549362       34.21696 
1 1 1 12  40 6  o 54.66139 23.39951 32.68906       133.5846 -153.3566      301.1433 78.26632       149.0519 63.97558 30.27275 61.39598 25.39787 2.579594       39.51571 
1 1 1 12  40 7  o 113.1697 21.66276 432.7303       138.5435 677.5400       308.5065 370.8874       155.0583 124.9502 38.39553 101.7271 25.91988 23.22311       46.32555 
1 1 1 12  40 8  o 173.0000 17.25187 956.4454       172.7071 1135.342       303.2461 870.5603       210.1130 174.4840 30.75741 160.0718 23.04457 14.41222       38.43267 
1 1 1 12  40 9  o 105.8462 25.83820 401.7225       158.9699 851.0121       275.3766 177.1574       194.6861 148.3744 32.54332 75.15240 29.75796 73.22199       44.09766 
1 1 1 12  40 10 o 231.6322 13.60733 1661.173       184.0370 1460.707       302.2835 1779.244       231.9874 203.8683 25.86342 236.4872 16.83666 -32.61891      30.86081 
1 1 1 12  40 11 o 109.8637 37.08138 527.8474       283.3820 527.8474       283.3820 0.000000       0.000000 109.8637 37.08138 ?        ?        0.000000       37.08138 
1 1 1 12  40 12 o 118.7127 36.76073 612.7095       282.1459 612.7095       282.1459 0.000000       0.000000 118.7127 36.76073 ?        ?        0.000000       36.76073 
1 1 1 12  40 13 o 188.9615 27.99398 1303.156       300.8632 1303.156       300.8632 0.000000       0.000000 188.9615 27.99398 ?        ?        0.000000       27.99398 
1 1 1 12  40 14 o 113.0165 37.67919 578.9777       292.6742 578.9777       292.6742 0.000000       0.000000 113.0165 37.67919 ?        ?        0.000000       37.67919 
1 1 1 12  40 15 o 71.13305 31.99544 68.26958       279.5693 68.26958       279.5693 0.000000       0.000000 71.13305 31.99544 ?        ?        0.000000       31.99544 
1 1 1 12  40 16 o 94.46500 36.36667 390.1002       284.1714 390.1002       284.1714 0.000000       0.000000 94.46500 36.36667 ?        ?        0.000000       36.36667 
1 1 1 12  40 17 o 132.0596 37.27436 776.1450       301.2299 776.1450       301.2299 0.000000       0.000000 132.0596 37.27436 ?        ?        0.000000       37.27436 
1 1 1 12  40 18 o 92.38680 37.78929 385.2129       325.1558 385.2129       325.1558 0.000000       0.000000 92.38680 37.78929 ?        ?        0.000000       37.78929 
1 1 1 12  40 19 o 48.71664 24.30102 -514.7687      280.9150 -514.7687      280.9150 0.000000       0.000000 48.71664 24.30102 ?        ?        0.000000       24.30102 
1 1 1 12  40 20 o 124.0374 37.87341 719.3792       300.7807 719.3792       300.7807 0.000000       0.000000 124.0374 37.87341 ?        ?        0.000000       37.87341 
1 1 1 12  40 21 o 64.15475 28.99221 30.69196       232.6648 21.48064       273.7099 54.68299       441.7273 66.96636 30.71627 77.55106 36.68693 -10.58470      47.84788 
1 1 1 12  40 22 o 89.77442 33.35152 347.9659       234.0896 476.4681       273.8974 -0.2547055     450.8787 100.6182 36.28239 75.56889 36.11944 25.04929       51.19595 
1 1 1 12  41 0  o 97.79354 33.39880 385.4761       229.9581 604.1077       354.9241 227.2967       301.8938 112.6076 41.20000 83.74747 35.48984 28.86009       54.37802 
1 1 1 12  41 1  o 66.63879 29.70975 36.71270       235.3511 -80.02265      316.4346 181.2342       352.0862 67.83414 31.76414 82.89910 36.68267 -15.06496      48.52401 
1 1 1 12  41 2  o 117.7684 21.91746 472.0358       145.8108 824.0058       324.0195 382.6610       163.2773 137.1821 38.63723 102.1819 26.88728 35.00026       47.07187 
1 1 1 12  41 3  o 148.3148 17.66143 710.2028       150.6104 825.4866       352.8194 684.5143       166.5474 133.1828 41.08481 143.5107 20.35877 -10.32787      45.85238 
1 1 1 12  41 4  o 73.24154 26.17652 183.4059       142.2149 401.0680       318.9870 129.4091       158.8787 96.56749 38.13706 67.36983 26.81579 29.19765       46.62105 
1 1 1 12  41 5  o 63.27101 25.07692 109.3195       138.3754 534.2013       315.3634 8.013357       153.9909 108.0787 38.93734 54.96654 24.29405 53.11214       45.89463 
1 1 1 12  41 6  o 47.21745 21.78841 -64.64039      140.6443 1.757280       331.0379 -79.26536      155.3634 72.17310 33.34796 48.72791 22.62961 23.44519       40.30119 
1 1 1 12  41 7  o 65.13075 25.55770 122.8057       142.4544 274.8825       325.0003 86.63945       158.4907 86.83030 36.81077 62.61332 26.07028 24.21698       45.10756 
1 1 1 12  41 8  o 113.6085 26.08433 468.8083       170.1199 749.5355       318.9771 357.2170       201.1094 128.4363 38.95913 94.97531 31.21786 33.46103       49.92363 
1 1 1 12  41 9  o 145.7770 20.52621 711.6740       170.6355 684.0397       296.3883 725.3743       208.6903 124.1215 37.53412 142.1692 25.98644 -18.04771      45.65200 
1 1 1 12  41 10 o 132.3989 20.94957 592.6731       157.2639 733.5103       285.8652 531.5508       188.3226 130.6409 36.10748 119.6783 27.42040 10.96262       45.33904 
1 1 1 12  41 11 o 95.25519 35.99569 394.7327       275.1131 394.7327       275.1131 0.000000       0.000000 95.25519 35.99569 ?        ?        0.000000       35.99569 
1 1 1 12  41 12 f 109.1674 38.50297 561.7275       306.7803 561.7275       306.7803 0.000000       0.000000 109.1674 38.50297 ?        ?        0.000000       38.50297 
1 1 1 12  41 13 o 60.99762 29.22465 -181.2879      299.0269 -181.2879      299.0269 0.000000       0.000000 60.99762 29.22465 ?        ?        0.000000       29.22465 
1 1 1 12  41 14 o 89.87387 35.37799 341.2779       273.7032 341.2779       273.7032 0.000000       0.000000 89.87387 35.37799 ?        ?        0.000000       35.37799 
1 1 1 12  41 15 o 125.2180 35.12508 679.1829       268.3573 679.1829       268.3573 0.000000       0.000000 125.2180 35.12508 ?        ?        0.000000       35.12508 
1 1 1 12  41 16 f 68.39422 31.07280 47.53063       271.5718 47.53063       271.5718 0.000000       0.000000 68.39422 31.07280 ?        ?        0.000000       31.07280 
1 1 1 12  41 17 o 174.4718 29.69429 1172.820       292.9686 1172.820       292.9686 0.000000       0.000000 174.4718 29.69429 ?        ?        0.000000       29.69429 
1 1 1 12  41 18 o 92.13231 35.27117 378.9271       266.2880 378.9271       266.2880 0.000000       0.000000 92.13231 35.27117 ?        ?        0.000000       35.27117 
1 1 1 12  41 19 o 57.72501 27.48255 -136.8793      255.7434 -136.8793      255.7434 0.000000       0.000000 57.72501 27.48255 ?        ?        0.000000       27.48255 
1 1 1 12  41 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  42 0  o 62.09865 28.94076 -66.89992      257.6301 -322.5515      367.0075 181.4624       361.7376 62.68497 30.58445 81.58704 36.57037 -18.90206      47.67390 
1 1 1 12  42 1  f 134.2160 33.11981 730.4789       259.0824 543.6003       348.3693 961.7581       387.5504 105.2583 40.33098 138.3772 43.12142 -33.11893      59.04274 
1 1 1 12  42 2  o 142.6125 20.29246 682.0161       164.9401 367.2382       337.0428 781.1404       189.1355 92.17574 38.16693 151.1895 21.97328 -59.01380      44.04020 
1 1 1 12  42 3  o 119.4995 23.06127 499.0023       155.7670 679.7834       345.5378 452.8947       174.5040 117.0821 40.89614 110.1697 27.17862 6.912384       49.10368 
1 1 1 12  42 4  o 96.33448 25.33261 339.5357       145.0006 245.6710       329.8623 362.0173       161.4340 83.89270 36.34727 98.11614 27.14017 -14.22344      45.36202 
1 1 1 12  42 5  o 84.00013 25.87031 260.2128       139.9610 145.5541       352.3708 281.6906       152.5073 79.03645 35.70194 86.60990 27.05976 -7.573456      44.79799 
1 1 1 12  42 6  o 76.85364 26.38990 214.3800       143.6163 796.2201       332.3275 80.76415       159.2551 129.4333 39.86426 61.58338 25.92010 67.84997       47.55008 
1 1 1 12  42 7  o 71.94708 27.77687 173.5384       166.1214 -68.62856      313.1882 268.3442       195.9591 66.61971 31.32369 83.40704 30.59767 -16.78733      43.78802 
1 1 1 12  42 8  o 77.56389 28.18843 220.1264       165.7406 500.6399       304.1923 101.6921       197.6560 103.1121 38.07151 66.86290 28.53877 36.24917       47.58047 
1 1 1 12  42 9  o 67.27551 27.32969 130.5094       168.6667 304.1356       288.1992 40.06138       208.0102 86.69709 35.53267 63.02734 28.02557 23.66975       45.25487 
1 1 1 12  42 10 o 54.58695 23.98780 20.56218       148.1201 -137.5670      280.6805 81.59604       174.3780 60.74055 28.88216 62.98203 26.84163 -2.241482      39.42907 
1 1 1 12  42 11 o 95.13502 37.10685 415.7043       298.7908 415.7043       298.7908 0.000000       0.000000 95.13502 37.10685 ?        ?        0.000000       37.10685 
1 1 1 12  42 12 o 57.53014 27.99838 -275.8595      302.1673 -275.8595      302.1673 0.000000       0.000000 57.53014 27.99838 ?        ?        0.000000       27.99838 
1 1 1 12  42 13 o 71.67863 32.42015 87.39012       291.6741 87.39012       291.6741 0.000000       0.000000 71.67863 32.42015 ?        ?        0.000000       32.42015 
1 1 1 12  42 14 o 85.10733 35.29241 299.2814       288.7798 299.2814       288.7798 0.000000       0.000000 85.10733 35.29241 ?        ?        0.000000       35.29241 
1 1 1 12  42 15 o 82.99479 34.28965 275.0926       271.2233 275.0926       271.2233 0.000000       0.000000 82.99479 34.28965 ?        ?        0.000000       34.28965 
1 1 1 12  42 16 o 66.71204 31.21399 -26.05671      304.5595 -26.05671      304.5595 0.000000       0.000000 66.71204 31.21399 ?        ?        0.000000       31.21399 
1 1 1 12  42 17 o 67.54978 31.67382 -19.03052      316.4434 -19.03052      316.4434 0.000000       0.000000 67.54978 31.67382 ?        ?        0.000000       31.67382 
1 1 1 12  43 0  o 74.20612 32.16298 152.1243       258.4903 206.5597       347.8746 85.01621       386.2507 81.09248 36.13917 76.88915 35.69870 4.203331       50.79800 
1 1 1 12  43 1  o 51.97325 23.73187 -34.77467      160.9616 -402.0974      341.3783 70.23219       182.5244 57.66246 28.40889 62.61614 27.08330 -4.953678      39.25010 
1 1 1 12  43 2  o 111.0235 25.35399 451.4826       161.4511 349.2303       370.1967 475.4993       179.4126 89.50206 38.64104 111.9596 27.52138 -22.45755      47.44003 
1 1 1 12  43 3  o 75.11327 27.02097 204.6228       151.8073 344.0441       357.8743 174.0309       167.6368 89.14479 38.23316 71.70280 27.84302 17.44199       47.29702 
1 1 1 12  43 4  o 75.34057 26.34033 206.6192       143.3615 453.3473       350.6725 157.1079       157.0886 96.35076 39.30736 69.24220 26.93453 27.10857       47.65015 
1 1 1 12  43 5  o 70.72413 26.88107 171.0515       153.9581 613.0480       348.8141 64.11194       171.5750 108.6398 40.64244 60.92646 26.30515 47.71336       48.41249 
1 1 1 12  43 6  o 66.59821 27.38819 125.6704       171.9722 -104.3297      316.7209 221.8301       204.7903 64.77097 30.76470 77.69036 30.59581 -12.91939      43.38860 
1 1 1 12  43 7  o 141.4238 23.63667 709.1275       189.1330 459.8482       322.6437 839.6316       233.4491 97.13247 38.35664 149.5741 27.63003 -52.44167      47.27209 
1 1 1 12  43 8  o 83.94804 28.12231 273.4319       163.0070 674.6794       311.3891 121.9704       191.3148 117.3564 38.85734 67.42970 28.39680 49.92671       48.12766 
1 1 1 12  43 9  o 81.33768 30.22705 259.7165       192.3130 286.7344       316.4955 243.9021       242.1412 84.23035 36.03648 80.02412 32.65691 4.206230       48.63231 
1 1 1 12  43 10 o 163.3300 16.87139 867.9811       159.2863 800.0338       339.8958 887.1030       180.3119 125.5722 40.53729 162.7887 19.25897 -37.21648      44.87962 
1 1 1 12  43 11 o 80.65385 35.33751 231.5120       319.2947 231.5120       319.2947 0.000000       0.000000 80.65385 35.33751 ?        ?        0.000000       35.33751 
1 1 1 12  43 12 o 84.46317 35.87833 294.0431       309.7853 294.0431       309.7853 0.000000       0.000000 84.46317 35.87833 ?        ?        0.000000       35.87833 
1 1 1 12  43 13 o 71.00018 32.76662 53.59425       318.2085 53.59425       318.2085 0.000000       0.000000 71.00018 32.76662 ?        ?        0.000000       32.76662 
1 1 1 12  43 14 o 68.63464 31.96292 15.19067       313.3143 15.19067       313.3143 0.000000       0.000000 68.63464 31.96292 ?        ?        0.000000       31.96292 
1 1 1 12  44 0  o 66.82997 32.06625 -119.5506      362.9702 -119.5506      362.9702 0.000000       0.000000 66.82997 32.06625 ?        ?        0.000000       32.06625 
1 1 1 12  44 1  o 45.01091 22.39149 -419.7346      231.8367 -309.8532      345.8972 -509.3588      312.3904 59.80359 29.28765 51.72524 25.77385 8.078342       39.01355 
1 1 1 12  44 2  o 108.8405 28.82190 468.6693       186.8571 931.2737       389.0883 329.9940       213.0310 129.4575 43.44920 88.41122 31.98229 41.04630       53.95090 
1 1 1 12  44 3  o 59.20566 27.48617 -42.43405      228.9043 -193.8549      386.7843 39.18755       283.9740 66.12061 32.06268 68.07507 31.24779 -1.954468      44.77097 
1 1 1 12  44 4  o 58.87842 24.91590 72.63377       148.4494 -326.7415      413.0158 131.8827       159.0803 64.28574 31.58837 65.91177 26.62649 -1.626030      41.31337 
1 1 1 12  44 5  o 159.4274 26.86504 949.2943       242.2688 719.8843       375.5535 1112.812       317.0644 112.9711 42.18990 161.9540 34.44211 -48.98290      54.46325 
1 1 1 12  44 6  o 62.10541 27.90199 34.68583       211.9110 65.41196       366.0820 19.20159       259.8779 73.86543 34.44921 65.25089 29.92966 8.614540       45.63478 
1 1 1 12  44 7  o 82.35484 29.10170 268.0389       175.3225 453.7764       318.8582 187.5512       209.8999 95.67535 38.01937 73.88342 30.30736 21.79192       48.62107 
1 1 1 12  44 8  o 78.75469 27.79593 237.9623       159.9043 578.7861       313.9513 118.5770       185.8116 106.5774 38.78667 66.35352 27.96683 40.22392       47.81788 
1 1 1 12  44 9  o 69.26624 28.96228 144.7324       196.8226 415.2029       314.6555 -29.11832      252.2689 92.44766 37.41109 61.95070 28.79276 30.49696       47.20818 
1 1 1 12  44 10 o 117.4577 22.45655 489.6659       149.0582 608.5358       320.6883 456.9072       168.3489 107.9306 39.21218 109.4948 26.50369 -1.564178      47.32907 
1 1 1 12  45 0  o 45.54206 21.83657 -150.8158      167.6628 -377.5568      357.6777 -86.96372      189.8079 58.44540 28.84844 51.95756 24.41579 6.487843       37.79369 
1 1 1 12  45 1  o 58.86166 27.28962 -31.95122      224.4873 -9.004013      343.4998 -49.05856      296.5875 68.90358 32.52240 64.21281 30.28145 4.690773       44.43729 
1 1 1 12  45 2  o 65.67136 26.34560 136.3676       154.5767 272.3403       392.3282 111.3812       168.1807 82.67237 37.47564 63.98552 26.76447 18.68685       46.05172 
1 1 1 12  45 3  o 57.28156 24.26984 68.13347       141.1384 -498.5515      378.0314 159.9182       152.1396 57.22241 28.48702 68.25023 26.51857 -11.02782      38.91972 
1 1 1 12  45 4  o 81.66474 26.58010 258.7321       145.9588 354.6432       393.0325 243.3888       157.2007 86.49418 38.48810 78.95856 27.58399 7.535614       47.35199 
1 1 1 13  0  0  o 114.1556 37.45804 489.9008       222.3868 489.9008       222.3868 489.9008       222.3868 114.1556 37.45804 114.1556 37.45804 0.000000       0.000000 
1 1 1 13  0  1  o 346.8695 18.21581 3563.055       368.2181 3563.055       368.2181 3563.055       368.2181 346.8695 18.21581 346.8695 18.21581 0.000000       0.000000 
1 1 1 13  0  2  o 88.16736 41.29909 335.8597       238.9703 335.8597       238.9703 335.8597       238.9703 88.16736 41.29909 88.16736 41.29909 0.000000       0.000000 
1 1 1 13  0  3  o 437.6973 18.98945 5659.098       485.3646 5659.098       485.3646 5659.098       485.3646 437.6973 18.98945 437.6973 18.98945 0.000000       0.000000 
1 1 1 13  0  4  f 297.1873 19.18413 2626.558       331.1286 2626.558       331.1286 2626.558       331.1286 297.1873 19.18413 297.1873 19.18413 0.000000       0.000000 
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  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  10 o 133.9919 45.58449 686.0523       321.0582 686.0523       321.0582 686.0523       321.0582 133.9919 45.58449 133.9919 45.58449 0.000000       0.000000 
1 1 1 13  0  11 o 440.1790 17.79154 5718.998       457.5879 5718.998       457.5879 5718.998       457.5879 440.1790 17.79154 440.1790 17.79154 0.000000       0.000000 
1 1 1 13  0  12 o 547.6404 17.78681 8837.759       569.9070 8837.759       569.9070 8837.759       569.9070 547.6404 17.78681 547.6404 17.78681 0.000000       0.000000 
1 1 1 13  0  13 o 477.9396 15.99829 6730.892       447.2928 6730.892       447.2928 6730.892       447.2928 477.9396 15.99829 477.9396 15.99829 0.000000       0.000000 
1 1 1 13  0  14 o 174.5847 28.13194 964.3303       265.6288 964.3303       265.6288 964.3303       265.6288 174.5847 28.13194 174.5847 28.13194 0.000000       0.000000 
1 1 1 13  0  15 o 297.3064 15.58002 2617.518       269.9447 2617.518       269.9447 2617.518       269.9447 297.3064 15.58002 297.3064 15.58002 0.000000       0.000000 
1 1 1 13  0  16 o 620.5308 16.96911 11341.84       616.5071 11341.84       616.5071 11341.84       616.5071 620.5308 16.96911 620.5308 16.96911 0.000000       0.000000 
1 1 1 13  0  17 o 49.36778 31.57656 13.28943       204.8075 13.28943       204.8075 13.28943       204.8075 49.36778 31.57656 49.36778 31.57656 0.000000       0.000000 
1 1 1 13  0  18 o 780.2994 19.77194 17957.62       903.5052 17957.62       903.5052 17957.62       903.5052 780.2994 19.77194 780.2994 19.77194 0.000000       0.000000 
1 1 1 13  0  19 o 48.31393 30.69749 22.49077       189.7322 22.49077       189.7322 22.49077       189.7322 48.31393 30.69749 48.31393 30.69749 0.000000       0.000000 
1 1 1 13  0  20 o 708.7654 13.12692 14778.20       545.2301 14778.20       545.2301 14778.20       545.2301 708.7654 13.12692 708.7654 13.12692 0.000000       0.000000 
1 1 1 13  0  21 o 49.70322 29.20895 85.40217       144.0124 85.40217       144.0124 85.40217       144.0124 49.70322 29.20895 49.70322 29.20895 0.000000       0.000000 
1 1 1 13  0  22 o 214.7668 12.51317 1369.656       156.3753 1369.656       156.3753 1369.656       156.3753 214.7668 12.51317 214.7668 12.51317 0.000000       0.000000 
1 1 1 13  0  23 o 25.31873 18.15450 -205.8677      127.0388 -205.8677      127.0388 -205.8677      127.0388 25.31873 18.15450 25.31873 18.15450 0.000000       0.000000 
1 1 1 13  0  24 o 199.2104 12.64287 1181.266       146.3285 1181.266       146.3285 1181.266       146.3285 199.2104 12.64287 199.2104 12.64287 0.000000       0.000000 
1 1 1 13  0  25 o 48.72957 28.13287 88.90192       129.8160 88.90192       129.8160 88.90192       129.8160 48.72957 28.13287 48.72957 28.13287 0.000000       0.000000 
1 1 1 13  0  26 o 138.0654 17.28767 588.1465       134.0494 588.1465       134.0494 588.1465       134.0494 138.0654 17.28767 138.0654 17.28767 0.000000       0.000000 
1 1 1 13  0  27 o 29.54352 20.48090 -102.6946      122.9017 -102.6946      122.9017 -102.6946      122.9017 29.54352 20.48090 29.54352 20.48090 0.000000       0.000000 
1 1 1 13  0  28 o 248.6718 10.75430 1828.115       156.1718 1828.115       156.1718 1828.115       156.1718 248.6718 10.75430 248.6718 10.75430 0.000000       0.000000 
1 1 1 13  0  29 o 148.2651 18.48691 678.5522       154.0103 678.5522       154.0103 678.5522       154.0103 148.2651 18.48691 148.2651 18.48691 0.000000       0.000000 
1 1 1 13  0  30 o 61.96971 32.23566 168.3048       152.2996 168.3048       152.2996 168.3048       152.2996 61.96971 32.23566 61.96971 32.23566 0.000000       0.000000 
1 1 1 13  0  31 o 39.22425 25.49123 -7.319623      140.6111 -7.319623      140.6111 -7.319623      140.6111 39.22425 25.49123 39.22425 25.49123 0.000000       0.000000 
1 1 1 13  0  32 o 326.3193 13.11686 3152.529       250.1050 3152.529       250.1050 3152.529       250.1050 326.3193 13.11686 326.3193 13.11686 0.000000       0.000000 
1 1 1 13  0  33 o 284.0305 12.26113 2390.174       203.3744 2390.174       203.3744 2390.174       203.3744 284.0305 12.26113 284.0305 12.26113 0.000000       0.000000 
1 1 1 13  0  34 o 62.64060 32.93695 174.0804       160.2695 174.0804       160.2695 174.0804       160.2695 62.64060 32.93695 62.64060 32.93695 0.000000       0.000000 
1 1 1 13  0  35 o 205.0263 14.33836 1260.090       170.4374 1260.090       170.4374 1260.090       170.4374 205.0263 14.33836 205.0263 14.33836 0.000000       0.000000 
1 1 1 13  0  36 o 183.9188 16.79093 1028.178       177.4624 1028.178       177.4624 1028.178       177.4624 183.9188 16.79093 183.9188 16.79093 0.000000       0.000000 
1 1 1 13  0  37 o 37.73912 25.53872 -72.22703      166.8804 -72.22703      166.8804 -72.22703      166.8804 37.73912 25.53872 37.73912 25.53872 0.000000       0.000000 
1 1 1 13  0  38 o 95.35088 33.98706 367.8478       173.2822 367.8478       173.2822 367.8478       173.2822 95.35088 33.98706 95.35088 33.98706 0.000000       0.000000 
1 1 1 13  0  39 o 56.78999 31.64639 143.5177       156.5798 143.5177       156.5798 143.5177       156.5798 56.78999 31.64639 56.78999 31.64639 0.000000       0.000000 
1 1 1 13  0  40 o 72.95058 32.81058 241.8946       150.1849 241.8946       150.1849 241.8946       150.1849 72.95058 32.81058 72.95058 32.81058 0.000000       0.000000 
1 1 1 13  0  41 o 82.12634 32.07987 288.0756       147.5568 288.0756       147.5568 288.0756       147.5568 82.12634 32.07987 82.12634 32.07987 0.000000       0.000000 
1 1 1 13  0  42 o 49.41905 29.13163 98.97498       144.0182 98.97498       144.0182 98.97498       144.0182 49.41905 29.13163 49.41905 29.13163 0.000000       0.000000 
1 1 1 13  0  43 o 89.56975 32.26179 334.6356       155.1936 334.6356       155.1936 334.6356       155.1936 89.56975 32.26179 89.56975 32.26179 0.000000       0.000000 
1 1 1 13  0  44 o 43.28659 27.63952 35.21555       156.0994 35.21555       156.0994 35.21555       156.0994 43.28659 27.63952 43.28659 27.63952 0.000000       0.000000 
1 1 1 13  0  45 o 167.8348 18.23745 889.0362       174.1434 889.0362       174.1434 889.0362       174.1434 167.8348 18.23745 167.8348 18.23745 0.000000       0.000000 
1 1 1 13  0  46 o 180.9751 19.60991 1042.061       201.9501 1042.061       201.9501 1042.061       201.9501 180.9751 19.60991 180.9751 19.60991 0.000000       0.000000 
1 1 1 13  0  47 o 65.80564 35.85053 226.3692       195.9859 226.3692       195.9859 226.3692       195.9859 65.80564 35.85053 65.80564 35.85053 0.000000       0.000000 
1 1 1 13  0  48 o 45.30815 29.86204 10.71213       203.2165 10.71213       203.2165 10.71213       203.2165 45.30815 29.86204 45.30815 29.86204 0.000000       0.000000 
1 1 1 13  1  0  o 105.5714 22.61395 340.9966       135.7977 309.0554       229.5192 358.2005       168.4446 103.4556 33.30357 108.0210 26.73452 -4.565453      42.70670 
1 1 1 13  1  1  o 467.6909 13.57626 6431.242       371.9886 6874.842       539.4633 6029.111       513.6298 482.9519 19.08373 452.1805 19.41336 30.77142       27.22256 
1 1 1 13  1  2  o 357.2726 12.93633 3753.996       270.6100 3765.779       378.5574 3741.683       386.9824 357.3315 18.12301 356.1299 18.59254 1.201508       25.96394 
1 1 1 13  1  3  o 407.1195 13.16946 4873.427       314.0282 4950.022       446.0742 4798.171       442.1576 409.7643 18.61048 403.4020 18.74031 6.362305       26.41116 
1 1 1 13  1  4  f 437.0904 18.94818 5631.771       484.5697 5631.771       484.5697 0.000000       0.000000 437.0904 18.94818 ?        ?        0.000000       18.94818 
1 1 1 13  1  5  o 652.0397 23.36601 12547.09       892.0855 12547.09       892.0855 0.000000       0.000000 652.0397 23.36601 ?        ?        0.000000       23.36601 
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 1018.049 25.39734 30593.76       1516.378 30593.76       1516.378 0.000000       0.000000 1018.049 25.39734 ?        ?        0.000000       25.39734 
1 1 1 13  1  11 f 322.6143 13.68764 3063.583       258.3894 3075.069       372.5932 3052.942       358.6417 322.5587 19.79117 321.4774 19.10837 1.081329       27.51036 
1 1 1 13  1  12 o 396.9404 12.41355 4632.777       288.6274 4598.888       410.6637 4665.858       405.7424 394.9259 17.77603 397.8385 17.43206 -2.912598      24.89706 
1 1 1 13  1  13 o 47.93693 23.07981 -291.4985      191.7661 -297.7901      269.9223 -285.0865      272.4924 61.37450 28.92616 62.35824 29.28786 -0.9837456     41.16432 
1 1 1 13  1  14 o 603.8393 12.06027 10711.73       427.0992 10462.10       589.9349 10986.68       619.1421 596.0003 16.89451 610.7060 17.30397 -14.70569      24.18370 
1 1 1 13  1  15 o 386.1513 10.47480 4382.373       237.0023 4354.755       338.3321 4408.982       332.0984 384.4753 15.03357 386.9085 14.66204 -2.433258      20.99961 
1 1 1 13  1  16 o 173.5859 16.32720 894.9913       164.2657 831.3326       235.8571 954.9562       228.9120 165.7650 25.04079 178.4057 22.36845 -12.64063      33.57661 
1 1 1 13  1  17 o 181.4183 14.03908 974.2115       148.2109 974.2755       214.8027 974.1533       204.7614 180.4455 20.67017 180.6079 19.64759 -0.1623688     28.51813 
1 1 1 13  1  18 o 81.45997 25.86236 193.9221       138.7789 107.5065       200.2510 273.7808       192.5040 77.34369 30.31633 96.34372 30.44394 -19.00003      42.96409 
1 1 1 13  1  19 o 676.4775 10.35822 13451.50       410.9498 13427.01       695.7446 13464.62       509.2825 674.1083 17.61335 676.3723 12.83874 -2.263977      21.79595 
1 1 1 13  1  20 o 40.79713 19.17936 -124.7747      117.3381 -261.3879      155.1366 57.85385       179.3711 41.79350 20.27549 69.10036 28.14170 -27.30686      34.68502 
1 1 1 13  1  21 f 740.7310 10.97594 16145.72       476.8182 16702.40       847.3377 15887.75       576.8120 750.4363 19.26866 734.1635 13.39649 16.27283       23.46800 
1 1 1 13  1  22 o 186.8358 9.349972 1029.075       102.1265 948.0375       144.6687 1109.577       144.1899 178.7143 13.91224 193.5959 12.77087 -14.88158      18.88507 
1 1 1 13  1  23 o 99.46636 17.42754 301.5634       97.95958 330.9498       143.3814 275.8390       134.1504 103.1635 24.13047 94.24062 24.16058 8.922882       34.14693 
1 1 1 13  1  24 o 123.7992 14.15084 458.6836       100.8991 308.3770       130.7168 680.2531       158.7075 99.61310 22.86040 150.2463 18.39444 -50.63322      29.34200 
1 1 1 13  1  25 o 40.07577 18.00927 -41.45231      88.34412 -32.71781      126.0333 -49.88951      123.8697 50.07196 22.06089 48.03363 21.47482 2.038330       30.78718 
1 1 1 13  1  26 o 208.5984 8.631911 1282.382       105.3730 1352.474       162.6271 1231.661       138.3411 213.5626 13.04651 204.0078 11.61049 9.554779       17.46468 
1 1 1 13  1  27 o 278.4226 7.232255 2280.062       117.9942 2336.413       168.2112 2225.473       165.5585 281.4247 10.20851 274.6387 10.29696 6.786011       14.49969 
1 1 1 13  1  28 o 443.2650 7.239335 5775.138       188.1969 5883.086       272.9579 5677.324       259.8286 446.8306 10.41603 439.0120 10.09160 7.818604       14.50290 
1 1 1 13  1  29 o 224.5729 9.111023 1486.728       119.7491 1559.463       170.5532 1416.009       168.1735 229.4446 12.72435 218.5206 13.18377 10.92407       18.32269 
1 1 1 13  1  30 o 385.1100 7.455635 4360.128       168.3914 4218.844       234.2594 4511.182       242.2231 378.1867 10.57223 391.0803 10.57055 -12.89355      14.95020 
1 1 1 13  1  31 o 134.4294 19.66114 550.9125       150.4245 724.3506       171.4417 -29.22545      313.5521 154.5851 19.33176 80.42633 35.13311 74.15875       40.10052 
1 1 1 13  1  32 o 305.0135 7.713678 2738.906       137.8740 2642.317       192.5047 2840.634       197.5602 298.9718 10.99769 310.0283 10.88232 -11.05655      15.47172 
1 1 1 13  1  33 o 207.4392 10.34618 1273.608       125.4724 1225.003       181.7403 1317.875       173.4402 202.2843 15.43586 210.1884 14.15238 -7.904099      20.94172 
1 1 1 13  1  34 o 147.5846 13.05871 651.2361       111.8644 838.9745       166.2129 495.7887       151.2446 166.5711 17.26435 126.5089 21.12959 40.06219       27.28584 
1 1 1 13  1  35 o 43.96278 20.05743 -68.52994      114.6674 -104.5776      173.7917 -40.73881      152.5962 53.62702 24.55217 54.31707 24.08647 -0.6900558     34.39429 
1 1 1 13  1  36 o 221.6644 10.21738 1456.951       132.4696 1450.518       196.9794 1462.263       178.9906 219.6449 15.38884 221.0437 13.87709 -1.398804      20.72173 
1 1 1 13  1  37 o 50.71885 21.89891 -2.974619      118.9195 3.519659       162.1351 -10.53608      174.9502 59.34702 25.59695 60.27961 26.28945 -0.9325905     36.69250 
1 1 1 13  1  38 f 197.3165 10.82398 1161.934       124.7769 1018.309       170.8174 1326.244       182.7042 182.7365 16.10341 209.2217 14.98919 -26.48528      21.99990 
1 1 1 13  1  39 o 149.9793 13.41971 682.2521       116.7928 738.9715       168.9376 630.3247       161.6437 153.6039 19.16919 141.2810 20.07276 12.32291       27.75560 
1 1 1 13  1  40 o 113.6694 16.84355 404.0061       108.8939 448.5520       157.8002 363.5078       150.4602 116.5643 23.88644 104.2052 24.95040 12.35914       34.54105 
1 1 1 13  1  41 o 158.9504 12.27054 765.4360       113.5018 753.4535       163.5491 776.5691       157.6453 154.6925 18.38651 157.6598 17.33509 -2.967316      25.26992 
1 1 1 13  1  42 o 120.9205 15.28105 455.5178       105.9531 372.3803       155.2140 528.0618       144.9886 103.9725 25.62219 127.8399 19.99273 -23.86739      32.49932 
1 1 1 13  1  43 o 85.49316 21.39234 244.6361       106.9896 249.0407       158.9258 240.9854       144.6870 84.63436 27.74772 83.51756 26.39374 1.116806       38.29576 
1 1 1 13  1  44 o 115.6871 17.36465 428.4156       114.1816 311.9011       169.1632 525.9235       154.7518 92.76235 28.41806 125.5936 21.79984 -32.83127      35.81647 
1 1 1 13  1  45 f 51.40983 21.87585 28.36654       115.5117 -39.64888      168.2262 89.04182       158.8898 53.91646 24.47980 63.68279 26.27148 -9.766327      35.90893 
1 1 1 13  1  46 o 57.87556 23.48832 74.61436       124.4438 -11.56989      178.7872 155.6087       173.3204 57.17799 25.66328 71.65605 28.16902 -14.47807      38.10640 
1 1 1 13  1  47 o 40.70180 19.68786 -184.3074      143.5436 69.40836       191.7688 -507.5966      216.4711 64.51693 27.83248 41.42977 20.76478 23.08716       34.72496 
1 1 1 13  1  48 o 42.99903 20.77701 -191.5814      158.8135 -365.1288      223.4384 -14.38957      225.7722 46.28588 22.83799 61.93416 28.21331 -15.64828      36.29828 
1 1 1 13  2  0  o 150.3560 15.93289 671.9843       138.3611 768.2275       219.2213 608.2626       178.3779 159.6310 24.17175 142.0166 22.13823 17.61440       32.77765 
1 1 1 13  2  1  o 798.3855 15.65210 18736.50       732.8848 18265.52       1238.458 18990.32       909.1674 785.9967 26.90611 803.2741 19.29877 -17.27740      33.11165 
1 1 1 13  2  2  o 314.0312 12.71507 2901.019       233.6916 2942.318       317.9373 2852.487       344.6570 315.8455 17.22915 310.7750 19.00077 5.070526       25.64904 
1 1 1 13  2  3  o 90.87260 32.74938 204.9138       223.1143 204.9138       223.1143 0.000000       0.000000 90.87260 32.74938 ?        ?        0.000000       32.74938 
1 1 1 13  2  4  o 329.7592 17.95266 3207.816       345.8877 3207.816       345.8877 0.000000       0.000000 329.7592 17.95266 ?        ?        0.000000       17.95266 
1 1 1 13  2  5  o 241.9487 20.00587 1734.674       281.3427 1734.674       281.3427 0.000000       0.000000 241.9487 20.00587 ?        ?        0.000000       20.00587 
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 o 354.3984 19.56433 3708.727       405.0594 3708.727       405.0594 0.000000       0.000000 354.3984 19.56433 ?        ?        0.000000       19.56433 
1 1 1 13  2  11 o 192.0951 31.52164 1121.235       342.8139 1121.235       342.8139 0.000000       0.000000 192.0951 31.52164 ?        ?        0.000000       31.52164 
1 1 1 13  2  12 f 600.4331 12.64925 10590.90       445.4305 10572.65       641.7264 10607.87       618.7685 599.0521 18.28705 600.1533 17.59887 -1.101196      25.37984 
1 1 1 13  2  13 o 588.0117 12.03458 10156.48       415.0184 9906.403       580.2229 10418.45       593.8640 579.9716 17.07697 594.7894 17.04203 -14.81781      24.12579 
1 1 1 13  2  14 o 473.6396 10.95548 6588.389       304.3195 6752.146       449.2798 6449.563       413.6680 478.8090 16.02198 468.0621 15.08919 10.74692       22.00880 
1 1 1 13  2  15 o 343.4923 10.82266 3468.906       217.7505 3317.641       315.1617 3607.070       301.2037 335.3755 16.07004 349.8908 14.71117 -14.51529      21.78681 
1 1 1 13  2  16 o 517.6654 10.90664 7872.899       331.1240 7739.443       460.7949 8015.394       476.1422 512.5611 15.34620 521.5898 15.58276 -9.028748      21.87072 
1 1 1 13  2  17 o 132.3387 19.18587 527.4629       144.5707 610.6230       219.0518 463.2860       192.4326 141.0196 27.47405 122.5088 27.46343 18.51082       38.84666 
1 1 1 13  2  18 o 440.3862 10.05233 5698.631       259.6276 5963.224       384.4546 5476.795       352.0230 449.7549 14.59466 431.1030 13.94155 18.65195       20.18343 
1 1 1 13  2  19 o 157.3957 14.15282 735.5565       129.2495 694.7209       208.2317 761.1494       164.8489 151.0823 24.32665 159.5495 17.92713 -8.467285      30.21867 
1 1 1 13  2  20 o 329.3205 8.331872 3187.960       160.7914 3112.870       261.5562 3233.577       203.8631 324.7327 13.76495 331.4343 10.50120 -6.701630      17.31326 
1 1 1 13  2  21 o 128.5591 13.66361 492.6943       101.4432 466.0615       145.0151 518.2162       141.9585 123.6831 20.72430 130.9214 19.04656 -7.238358      28.14726 
1 1 1 13  2  22 o 313.8778 7.150152 2893.799       131.6214 2839.421       184.3527 2950.339       187.9818 310.4890 10.13760 316.5013 10.14030 -6.012238      14.33864 
1 1 1 13  2  23 o 228.3321 8.936831 1535.521       119.4432 1454.604       157.5411 1644.920       183.1798 221.8062 12.15719 235.7282 13.30398 -13.92195      18.02202 
1 1 1 13  2  24 f 174.4579 9.639314 898.4500       98.24172 916.7725       139.3882 880.3639       138.4858 175.6573 13.63711 172.0790 13.83890 3.578232       19.42900 
1 1 1 13  2  25 o 308.9358 6.955527 2804.481       126.0227 2714.941       174.2244 2902.741       182.5102 303.5000 9.800983 313.8111 9.929221 -10.31110      13.95166 
1 1 1 13  2  26 o 222.8749 7.824809 1462.382       102.1201 1443.550       142.8735 1482.052       146.0170 220.9978 11.05848 223.9175 11.15409 -2.919769      15.70680 
1 1 1 13  2  27 o 82.65438 19.47077 211.7598       92.82027 204.0326       134.0400 218.8793       128.6605 82.13468 25.32098 84.35116 24.53815 -2.216476      35.26008 
1 1 1 13  2  28 o 27.46092 13.74238 -258.5179      93.11394 -227.2056      124.3671 -298.4599      140.4632 36.45995 17.79232 36.92366 18.19744 -0.4637108     25.45021 
1 1 1 13  2  29 o 285.5517 8.084428 2399.874       135.2531 2207.998       187.2256 2609.306       195.6029 273.3297 11.70671 297.2608 11.24010 -23.93109      16.22920 
1 1 1 13  2  30 o 179.2132 10.85377 950.3384       113.5430 916.3841       161.9403 983.1707       159.2419 175.0536 15.94865 181.5476 15.09239 -6.494049      21.95768 
1 1 1 13  2  31 o 145.6772 12.92484 632.3890       109.2800 446.1613       155.3541 814.7886       153.7491 119.8889 22.93026 164.8528 16.10780 -44.96386      28.02245 
1 1 1 13  2  32 o 72.71646 22.66590 159.1204       107.0676 314.4856       151.8820 5.645712       150.9552 99.85038 25.76452 58.47893 24.94978 41.37145       35.86506 
1 1 1 13  2  33 o 269.2010 8.635842 2137.485       136.1663 2262.410       201.9661 2033.380       184.3710 276.0963 12.50536 261.8360 12.03861 14.26031       17.35835 
1 1 1 13  2  34 o 185.4007 10.71796 1019.466       116.0429 1025.503       168.0856 1013.969       160.4028 184.7817 15.65760 183.9105 15.00171 0.8712158      21.68437 
1 1 1 13  2  35 o 59.04523 24.63496 31.14085       141.9422 -691.2804      309.5793 223.4343       159.7199 52.75606 26.18180 85.55228 27.80195 -32.79622      38.18946 
1 1 1 13  2  36 o 227.4950 10.58785 1535.795       140.8761 1438.396       203.2212 1625.898       195.4629 218.4971 15.96917 232.9432 14.37756 -14.44618      21.48787 
1 1 1 13  2  37 o 122.9229 16.42474 462.8289       115.4476 494.9664       168.2554 434.2384       158.6986 124.4792 23.91628 116.3648 24.04964 8.114357       33.91716 
1 1 1 13  2  38 o 234.1989 9.360091 1628.879       128.3039 1585.452       177.1575 1676.785       186.0685 229.6239 13.21079 236.0380 13.49754 -6.414093      18.88673 
1 1 1 13  2  39 o 175.6091 11.31170 925.2493       115.8802 883.9757       163.8047 966.5981       163.9540 169.3951 16.70547 177.5839 15.91072 -8.188873      23.06997 
1 1 1 13  2  40 o 171.6802 11.49593 887.0939       115.0813 927.1492       169.9264 853.1567       156.4114 172.9814 16.96792 166.2470 16.24945 6.734390       23.49372 
1 1 1 13  2  41 o 62.23262 22.95137 107.6055       110.4970 -97.68304      157.3283 307.4438       155.2257 49.39751 22.88232 94.67426 26.76947 -45.27676      35.21655 
1 1 1 13  2  42 o 141.5726 14.05661 617.1473       115.1707 776.5977       170.6920 483.8893       156.0439 156.0501 19.04495 120.5725 22.90448 35.47755       29.78801 
1 1 1 13  2  43 o 110.2339 17.89882 389.4620       111.7496 483.5458       168.4194 315.4615       149.3661 118.7453 24.97681 94.96254 26.04282 23.78279       36.08420 
1 1 1 13  2  44 o 106.4225 18.43688 367.4580       110.9057 395.0108       154.1642 337.9023       159.6693 106.3741 25.11629 97.12108 27.03944 9.252983       36.90474 
1 1 1 13  2  45 o 59.37269 22.91872 94.85365       113.0815 53.63993       162.9108 133.1752       157.0908 60.68407 25.90560 68.30647 26.82815 -7.622395      37.29410 
1 1 1 13  2  46 o 126.1501 17.35365 512.5278       124.9909 445.6561       179.0506 576.0891       174.5625 110.1304 27.74022 129.0066 23.95382 -18.87618      36.65113 
1 1 1 13  2  47 o 95.29150 26.85532 335.2002       156.4880 220.2346       200.1229 516.1262       251.0518 79.22887 30.51389 110.9414 34.72689 -31.71250      46.22829 
1 1 1 13  2  48 o 80.86317 29.11207 240.9306       176.2525 73.10957       235.3588 455.2176       265.9532 68.40157 30.14145 102.3316 35.86908 -33.93002      46.85188 
1 1 1 13  3  0  o 301.7715 10.56419 2676.573       186.6787 2729.136       303.3095 2644.520       236.8543 304.1657 17.07150 299.7363 13.50856 4.429382       21.76964 
1 1 1 13  3  1  o 796.9794 15.60445 18669.53       729.3671 18738.90       1262.588 18634.79       893.5408 796.1346 27.08055 795.7664 19.14601 0.3682251      33.16513 
1 1 1 13  3  2  o 117.8007 24.68530 424.5064       165.0779 623.8676       216.9135 150.1366       254.4687 143.0872 26.83402 88.74402 34.34710 54.34319       43.58656 
1 1 1 13  3  3  o 195.6795 21.21537 1140.673       239.5800 1140.673       239.5800 0.000000       0.000000 195.6795 21.21537 ?        ?        0.000000       21.21537 
1 1 1 13  3  4  o 881.4152 29.65281 22995.99       1530.658 22995.99       1530.658 0.000000       0.000000 881.4152 29.65281 ?        ?        0.000000       29.65281 
1 1 1 13  3  5  o 404.7365 18.16238 4828.144       430.0190 4828.144       430.0190 0.000000       0.000000 404.7365 18.16238 ?        ?        0.000000       18.16238 
1 1 1 13  3  6  o 311.6836 18.26393 2867.469       332.3926 2867.469       332.3926 0.000000       0.000000 311.6836 18.26393 ?        ?        0.000000       18.26393 
1 1 1 13  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  3  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  3  9  o 741.2095 20.19598 16188.81       877.1050 16188.81       877.1050 0.000000       0.000000 741.2095 20.19598 ?        ?        0.000000       20.19598 
1 1 1 13  3  10 o 1485.160 36.01069 65556.56       3136.571 65556.56       3136.571 0.000000       0.000000 1485.160 36.01069 ?        ?        0.000000       36.01069 
1 1 1 13  3  11 o 619.0775 13.32052 11260.23       483.6340 10655.80       657.5229 11972.70       713.8700 601.3894 18.66512 637.4299 19.11733 -36.04047      26.71814 
1 1 1 13  3  12 o 910.5104 16.36341 24384.70       873.7945 24282.61       1239.484 24485.57       1232.014 906.8824 23.32384 910.7301 23.08477 -3.847717      32.81628 
1 1 1 13  3  13 o 742.2261 13.77590 16191.65       599.6620 16280.98       853.1804 16104.43       843.0115 743.1446 19.59278 739.1271 19.46444 4.017456       27.61777 
1 1 1 13  3  14 o 445.1596 10.80467 5819.771       282.0834 5925.759       428.5703 5738.758       374.6893 448.4690 16.32166 441.5497 14.48871 6.919220       21.82473 
1 1 1 13  3  15 o 159.0077 18.27983 754.6133       167.3698 425.1242       245.3360 1041.459       228.9101 118.0163 33.74921 186.6685 21.28964 -68.65215      39.90311 
1 1 1 13  3  16 o 398.9048 10.34612 4677.357       241.8415 4405.089       337.5493 4964.527       346.6638 386.6059 14.91536 410.5206 14.42109 -23.91473      20.74695 
1 1 1 13  3  17 o 239.9451 11.77271 1696.587       165.1623 1706.742       236.6116 1686.938       230.6518 240.0419 16.91564 238.6855 16.58015 1.356445       23.68629 
1 1 1 13  3  18 o 54.51498 23.02548 7.840763       126.3809 -49.08768      203.7759 43.42513       161.1083 64.10040 28.15318 64.77997 26.56032 -0.6795731     38.70469 
1 1 1 13  3  19 o 529.8960 10.55566 8255.085       328.0399 8698.437       493.2800 7903.546       439.2444 542.9128 15.50809 517.7037 14.48109 25.20911       21.21798 
1 1 1 13  3  20 o 34.42453 16.85706 -223.0287      114.5020 -50.29838      191.5894 -319.0042      142.8128 61.73154 27.19879 36.74019 18.15228 24.99135       32.69984 
1 1 1 13  3  21 o 210.4779 9.142549 1304.745       112.5867 1197.949       160.5412 1408.100       157.9342 201.1009 13.69369 218.2875 12.38749 -17.18652      18.46529 
1 1 1 13  3  22 f 145.0414 12.58415 624.7103       105.9868 574.3698       145.8306 681.0707       154.3039 137.9895 18.48439 150.5945 17.81559 -12.60495      25.67231 
1 1 1 13  3  23 o 30.75762 15.08035 -183.4371      92.51968 -146.2028      132.1471 -219.2365      129.5760 42.80275 20.19345 38.10861 18.49767 4.694141       27.38502 
1 1 1 13  3  24 o 281.7115 7.162053 2333.433       118.2334 2405.426       174.8378 2272.767       160.4960 285.5978 10.45595 277.6866 9.870746 7.911255       14.37910 
1 1 1 13  3  25 o 309.3775 7.023699 2812.665       127.4398 2836.075       182.3235 2790.300       178.2014 310.1606 10.03640 307.6688 9.888753 2.491791       14.08959 
1 1 1 13  3  26 o 228.0105 7.927965 1530.643       105.8536 1554.957       148.8038 1505.735       150.6118 229.3793 11.09428 225.6589 11.41746 3.720383       15.91984 
1 1 1 13  3  27 o 302.8445 7.285480 2695.879       129.3982 2695.191       182.6721 2696.572       183.3232 302.2686 10.31967 302.3401 10.35410 -0.7150269E-01 14.61858 
1 1 1 13  3  28 o 92.99547 21.05309 268.5283       112.1408 196.2879       159.8338 338.5648       157.3768 82.70268 27.84853 103.9146 25.91301 -21.21193      38.03978 
1 1 1 13  3  29 o 345.0876 7.778435 3501.406       157.4244 3560.688       225.2998 3444.852       220.0562 347.3465 11.07395 341.6594 10.99653 5.687103       15.60629 
1 1 1 13  3  30 o 98.33667 19.56178 298.3444       108.8458 320.7550       153.4332 275.6404       154.4340 101.1249 25.79291 94.12351 26.73078 7.001404       37.14577 
1 1 1 13  3  31 o 186.2123 10.45359 1025.685       113.7044 1100.537       167.9757 962.3809       154.4758 192.0468 15.03355 179.5627 14.80006 12.48418       21.09620 
1 1 1 13  3  32 o 307.9197 7.637484 2789.585       137.9235 2698.729       194.7390 2881.031       195.3692 302.1279 11.00876 312.2516 10.68418 -10.12369      15.34094 
1 1 1 13  3  33 f 312.7781 7.843532 2882.056       143.7659 3086.798       211.1397 2705.080       196.3015 322.9481 11.16453 302.3152 11.09046 20.63290       15.73674 
1 1 1 13  3  34 f 258.5553 8.325420 1972.035       126.0793 2077.051       184.9788 1880.920       172.3015 264.5336 11.95402 251.7730 11.70088 12.76062       16.72750 
1 1 1 13  3  35 o 67.52741 23.34026 128.5024       112.4042 25.98022       169.3539 209.2288       150.2775 63.13079 26.65884 82.95447 26.96835 -19.82368      37.92078 
1 1 1 13  3  36 o 153.7943 17.40686 720.5368       154.2472 938.5314       356.0762 670.1808       171.1378 166.1899 37.43512 147.2524 20.36103 18.93744       42.61409 
1 1 1 13  3  37 o 91.74500 20.79503 267.5331       109.2970 330.8217       162.0936 214.7686       148.0042 100.6095 26.93671 82.85765 26.74983 17.75189       37.96235 
1 1 1 13  3  38 o 301.4570 8.225348 2690.179       145.2861 2692.120       208.0114 2688.331       203.0110 300.0561 11.84372 299.9811 11.56083 0.7504272E-01  16.55072 
1 1 1 13  3  39 o 123.4448 15.27829 468.8373       108.2521 581.3642       156.2533 364.9789       150.1144 135.4328 20.29675 104.9192 24.79181 30.51361       32.04047 
1 1 1 13  3  40 f 66.86559 23.35705 134.1049       112.7120 -1.409038      171.8319 236.4440       149.3250 59.15714 25.92107 84.38177 26.83141 -25.22463      37.30719 
1 1 1 13  3  41 o 62.69872 22.94256 111.1108       110.0639 135.1699       168.5068 93.20877       145.3547 71.55119 27.87824 64.30338 25.63136 7.247810       37.87034 
1 1 1 13  3  42 o 137.1102 14.26128 580.1283       113.0040 448.5647       168.6458 687.3325       152.2347 114.1756 25.79580 147.3043 17.99483 -33.12870      31.45215 
1 1 1 13  3  43 o 49.96293 20.67804 36.74372       98.86477 -80.13441      145.6731 136.5474       134.6127 47.89987 22.12863 67.84492 25.27442 -19.94505      33.59275 
1 1 1 13  3  44 o 118.6837 15.72546 444.2917       106.7665 323.0002       158.6006 544.8083       144.3805 94.87821 27.13629 129.2272 19.67014 -34.34902      33.51556 
1 1 1 13  3  45 o 47.10816 20.76645 -6.240029      111.8204 -43.93328      170.1692 22.40442       148.3438 53.86948 24.52187 55.87373 24.29002 -2.004250      34.51561 
1 1 1 13  3  46 o 64.02073 24.33827 121.1253       126.2247 176.6443       177.9562 64.91132       179.0664 74.19621 28.72124 63.23614 27.08140 10.96008       39.47546 
1 1 1 13  3  47 o 104.0674 24.15325 383.3530       144.5671 296.3905       191.7932 497.7682       219.9933 87.98048 30.48423 111.8212 31.95248 -23.84071      44.16163 
1 1 1 13  3  48 o 96.93177 27.48942 352.8274       163.4405 351.8406       202.2810 354.6830       277.3940 94.01233 31.32425 92.10739 35.80232 1.904938       47.57116 
1 1 1 13  4  0  o 367.6508 10.23081 3970.666       220.3807 4440.105       383.5297 3739.262       269.2738 388.2267 16.88507 356.5770 12.89752 31.64975       21.24739 
1 1 1 13  4  1  o 848.9478 16.46613 21188.92       819.8283 21190.71       1411.929 21188.00       1006.965 846.3347 28.48653 848.3686 20.23855 -2.033875      34.94397 
1 1 1 13  4  2  o 586.4658 15.06039 10114.12       517.5709 10171.34       727.2479 10055.39       736.7563 587.3243 21.14772 583.9005 21.55164 3.423828       30.19436 
1 1 1 13  4  3  o 257.1812 16.96319 1953.210       254.4283 1953.210       254.4283 0.000000       0.000000 257.1812 16.96319 ?        ?        0.000000       16.96319 
1 1 1 13  4  4  o 314.1066 17.44188 2910.351       320.0458 2910.351       320.0458 0.000000       0.000000 314.1066 17.44188 ?        ?        0.000000       17.44188 
1 1 1 13  4  5  o 336.0480 18.04673 3331.231       354.3680 3331.231       354.3680 0.000000       0.000000 336.0480 18.04673 ?        ?        0.000000       18.04673 
1 1 1 13  4  6  o 285.5739 18.61777 2409.477       310.1147 2409.477       310.1147 0.000000       0.000000 285.5739 18.61777 ?        ?        0.000000       18.61777 
1 1 1 13  4  7  o 574.0575 21.77841 9722.077       731.8867 9722.077       731.8867 0.000000       0.000000 574.0575 21.77841 ?        ?        0.000000       21.77841 
1 1 1 13  4  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  4  9  o 525.9116 18.38297 8148.495       566.1227 8148.495       566.1227 0.000000       0.000000 525.9116 18.38297 ?        ?        0.000000       18.38297 
1 1 1 13  4  10 o 520.9073 18.03551 7993.741       550.1534 7993.741       550.1534 0.000000       0.000000 520.9073 18.03551 ?        ?        0.000000       18.03551 
1 1 1 13  4  11 o 984.0452 17.45370 28491.33       1007.287 28497.88       1433.088 28484.94       1416.102 982.1425 24.89994 982.0046 24.60779 0.1378784      35.00786 
1 1 1 13  4  12 o 541.9093 12.36015 8626.725       392.8267 8404.290       545.3030 8866.685       566.3777 534.1272 17.43110 548.6111 17.62605 -14.48395      24.78953 
1 1 1 13  4  13 o 809.1605 14.70449 19250.80       697.8068 19322.48       997.7379 19182.17       976.3066 809.2683 21.03981 806.4107 20.66033 2.857605       29.48767 
1 1 1 13  4  14 o 329.1190 11.40137 3185.586       219.7375 3150.505       330.1584 3213.483       294.4156 326.6812 17.29409 330.1829 15.24507 -3.501648      23.05423 
1 1 1 13  4  15 o 437.7524 10.46750 5628.325       268.7337 5755.985       397.7823 5521.139       364.4900 442.0129 15.36813 433.0187 14.37244 8.994202       21.04155 
1 1 1 13  4  16 o 109.9724 25.42789 372.6309       160.7248 495.4556       242.3873 276.2473       214.7181 126.4992 32.50011 98.17616 32.25611 28.32309       45.78989 
1 1 1 13  4  17 o 265.8351 11.26637 2080.900       175.2511 2221.475       263.6559 1969.629       234.5710 274.0544 16.48016 258.1195 15.56777 15.93491       22.67049 
1 1 1 13  4  18 o 141.0649 15.68946 593.6649       127.6073 664.8154       218.6127 556.8936       157.1597 147.3855 26.25393 135.7554 20.36705 11.63010       33.22778 
1 1 1 13  4  19 o 442.8194 8.355244 5759.645       216.9883 5920.257       374.6402 5678.567       266.1807 448.0136 14.27669 439.4991 10.32685 8.514496       17.62009 
1 1 1 13  4  20 o 446.0515 8.378007 5845.400       219.1676 6281.498       388.6772 5642.094       265.3822 461.3206 14.38357 438.0100 10.33088 23.31064       17.70915 
1 1 1 13  4  21 o 265.5522 8.435103 2074.421       131.2018 2358.609       229.1644 1935.848       160.0238 282.4442 13.87700 256.2717 10.67050 26.17252       17.50516 
1 1 1 13  4  22 o 160.7043 10.87118 763.7653       101.8571 709.3625       150.4116 809.8450       138.4286 153.8876 16.94603 164.9858 14.45214 -11.09813      22.27178 
1 1 1 13  4  23 o 98.40279 19.10395 297.2684       106.2744 309.9905       171.8587 289.3914       135.2302 99.94928 28.13470 96.45811 24.00166 3.491165       36.98164 
1 1 1 13  4  24 o 223.4868 8.135294 1470.477       106.4512 1602.605       157.0368 1358.144       144.7964 232.8694 11.53432 214.3232 11.56243 18.54613       16.33188 
1 1 1 13  4  25 o 90.87279 18.57768 254.4258       95.66433 241.9858       142.6585 264.5909       128.9564 88.63921 25.85373 92.15160 23.72124 -3.512390      35.08721 
1 1 1 13  4  26 o 28.31678 14.12038 -246.1217      94.50897 -121.0775      142.7138 -343.7920      126.1292 46.70961 21.69111 32.12208 16.06293 14.58752       26.99114 
1 1 1 13  4  27 o 340.7324 9.161669 3419.785       182.9129 3477.380       216.1297 3274.408       343.3760 343.3034 10.74784 331.3646 17.73365 11.93875       20.73640 
1 1 1 13  4  28 o ?        ?        -438.8654      108.8864 -336.9752      151.8430 -546.7252      156.2279 37.82140 18.69216 32.43358 16.42510 5.387817       24.88335 
1 1 1 13  4  29 o 243.3047 9.276256 1745.051       132.1227 1801.449       186.2827 1687.961       187.4220 246.6085 12.92506 238.5922 13.44855 8.016312       18.65264 
1 1 1 13  4  30 o 180.1600 11.14307 960.9363       117.1610 969.8155       169.7281 952.8546       161.9283 180.0388 16.24919 178.5809 15.61801 1.457962       22.53793 
1 1 1 13  4  31 o 445.8171 7.642809 5845.934       199.8298 5850.603       280.7180 5841.138       284.5245 445.3348 10.74813 444.9357 10.90365 0.3991394      15.31052 
1 1 1 13  4  32 o 263.3105 8.324591 2043.284       128.3913 2146.867       191.6559 1958.952       172.9300 269.1544 12.17294 257.2299 11.49202 11.92456       16.74058 
1 1 1 13  4  33 o 472.9973 7.680464 6586.064       213.0574 6723.081       305.6032 6456.488       297.1902 476.9462 10.92542 467.4223 10.84113 9.523895       15.39139 
1 1 1 13  4  34 o 234.4520 9.075261 1623.822       124.5497 1891.693       188.7966 1417.410       165.7290 252.1879 12.80689 218.1536 13.01259 34.03430       18.25771 
1 1 1 13  4  35 o 162.8546 11.80205 790.2064       111.9570 900.2580       169.1611 704.4272       149.3460 172.5085 16.93828 152.3919 16.99933 20.11659       23.99755 
1 1 1 13  4  36 o 127.2118 15.71794 491.9593       114.7747 523.7965       168.6388 464.4862       156.6548 128.8560 23.16690 121.2763 22.86337 7.579643       32.54903 
1 1 1 13  4  37 o 248.3842 8.704560 1826.232       126.6046 1730.100       181.6121 1917.117       176.5855 240.3914 12.92934 253.4718 11.91219 -13.08043      17.58033 
1 1 1 13  4  38 o 276.2531 8.244938 2260.000       133.4316 2378.442       197.6889 2160.892       180.8369 281.8839 11.98544 268.8814 11.49420 13.00250       16.60624 
1 1 1 13  4  39 o 137.7607 14.21469 579.1977       113.1981 586.8112       173.7261 573.5802       149.2253 134.7660 22.79211 134.8776 19.42409 -0.1116180     29.94621 
1 1 1 13  4  40 o 64.78032 23.25604 121.3513       112.3854 209.2598       159.6240 34.94042       158.2586 80.69321 27.81743 60.26437 25.62325 20.42884       37.82011 
1 1 1 13  4  41 o 58.38321 22.61950 81.88780       110.4467 78.70335       162.5712 84.61745       150.5150 64.76578 26.63126 63.90913 25.87012 0.8566475      37.12798 
1 1 1 13  4  42 o 65.26118 23.15789 129.5413       111.1169 170.1007       165.9568 96.58344       149.5991 74.72181 28.01719 64.62506 25.92065 10.09675       38.16862 
1 1 1 13  4  43 o 182.5146 11.25405 1008.532       119.8780 1036.769       175.4733 983.8195       164.1581 181.7504 16.64678 177.4989 15.93897 4.251419       23.04704 
1 1 1 13  4  44 o 66.77769 22.77002 144.0249       106.8766 179.7174       151.9868 109.1110       150.3197 74.18061 26.98840 65.32790 26.05692 8.852715       37.51449 
1 1 1 13  4  45 o 67.52930 23.47215 148.7740       113.7493 385.3990       170.7858 -39.88127      152.4951 102.5408 27.73529 51.38091 23.32011 51.15985       36.23636 
1 1 1 13  4  46 f 114.9069 19.28993 435.5622       125.3933 387.3111       179.2098 481.8435       175.5137 101.5697 28.77836 115.6233 26.45724 -14.05356      39.09194 
1 1 1 13  4  47 o 130.1155 17.87552 550.6232       132.8060 600.9334       188.8915 501.4425       186.7588 129.6291 25.75409 116.3167 27.76356 13.31242       37.86935 
1 1 1 13  4  48 o 182.0108 15.67410 1051.563       165.6850 1297.105       234.5625 807.0587       234.0663 197.0414 20.60199 147.7567 28.03638 49.28470       34.79196 
1 1 1 13  5  0  o 257.3214 10.82699 1947.264       163.0282 1959.922       248.5946 1937.712       215.9499 257.6658 16.53802 256.4022 14.41897 1.263641       21.94112 
1 1 1 13  5  1  o 409.3271 10.53397 4921.613       252.6691 5357.527       432.4324 4695.644       311.3453 426.4781 17.32511 399.6060 13.30349 26.87216       21.84359 
1 1 1 13  5  2  o 255.6182 12.51823 1923.466       187.0951 1885.238       244.8909 1977.063       289.9691 252.6829 16.61742 258.4927 19.26582 -5.809799      25.44229 
1 1 1 13  5  3  o 120.6196 29.73402 447.1910       208.9792 447.1910       208.9792 0.000000       0.000000 120.6196 29.73402 ?        ?        0.000000       29.73402 
1 1 1 13  5  4  o 910.3791 30.43595 24544.86       1622.739 24544.86       1622.739 0.000000       0.000000 910.3791 30.43595 ?        ?        0.000000       30.43595 
1 1 1 13  5  5  o 642.3760 22.75452 12175.65       855.8959 12175.65       855.8959 0.000000       0.000000 642.3760 22.75452 ?        ?        0.000000       22.75452 
1 1 1 13  5  6  o 901.2063 30.33518 24056.51       1601.039 24056.51       1601.039 0.000000       0.000000 901.2063 30.33518 ?        ?        0.000000       30.33518 
1 1 1 13  5  7  o 684.9655 24.44908 13857.26       980.5834 13857.26       980.5834 0.000000       0.000000 684.9655 24.44908 ?        ?        0.000000       24.44908 
1 1 1 13  5  8  o 481.5935 20.80820 6843.721       586.3267 6843.721       586.3267 0.000000       0.000000 481.5935 20.80820 ?        ?        0.000000       20.80820 
1 1 1 13  5  9  o 540.3613 18.74366 8603.967       593.1041 8603.967       593.1041 0.000000       0.000000 540.3613 18.74366 ?        ?        0.000000       18.74366 
1 1 1 13  5  10 o 532.4258 18.23872 8352.248       568.6727 8352.248       568.6727 0.000000       0.000000 532.4258 18.23872 ?        ?        0.000000       18.23872 
1 1 1 13  5  11 o 566.8324 18.89699 9470.206       627.3217 9470.206       627.3217 0.000000       0.000000 566.8324 18.89699 ?        ?        0.000000       18.89699 
1 1 1 13  5  12 o 224.8496 17.93206 1497.566       234.5104 1747.325       349.3123 1292.632       316.4178 241.9496 24.97573 207.4267 26.62344 34.52281       36.50472 
1 1 1 13  5  13 f 250.6935 15.03814 1854.783       220.0830 1801.847       324.9658 1899.636       299.1261 246.0461 22.77868 253.0585 20.32582 -7.012405      30.52879 
1 1 1 13  5  14 o 89.22977 29.49834 225.2538       179.4746 325.5150       277.8729 153.4901       235.0889 108.2079 36.71801 86.59055 33.14283 21.61736       49.46372 
1 1 1 13  5  15 o 371.4210 10.77509 4055.953       234.4652 4108.592       337.5144 4006.858       325.9554 373.3121 15.44932 368.6969 15.10633 4.615143       21.60746 
1 1 1 13  5  16 o 186.9569 14.76276 1035.167       160.5548 1074.017       244.0711 1005.532       213.1705 189.2675 22.42331 183.4530 20.14405 5.814484       30.14279 
1 1 1 13  5  17 o 290.8615 9.417655 2487.676       160.4378 2592.899       267.6806 2428.683       200.4276 296.2749 15.45882 287.1471 11.92749 9.127808       19.52537 
1 1 1 13  5  18 o 70.45937 24.16206 135.0169       120.3806 114.8224       197.8432 146.8888       151.6929 77.71561 30.22814 75.74608 27.03886 1.969528       40.55664 
1 1 1 13  5  19 o 329.1270 8.556880 3184.372       165.0293 3577.272       295.6662 3006.575       198.8945 348.0713 14.51568 319.5828 10.62657 28.48849       17.98969 
1 1 1 13  5  20 o 96.13677 20.25933 284.2193       110.6173 376.4708       195.8435 241.0007       134.0473 110.0907 29.66726 88.63407 24.81141 21.45663       38.67496 
1 1 1 13  5  21 o 632.7503 9.769160 11775.68       362.5268 12390.05       657.6161 11507.46       434.5155 646.7395 17.35342 625.0612 11.85311 21.67828       21.01517 
1 1 1 13  5  22 o 165.9742 11.15921 814.8783       107.9924 737.7327       183.6127 855.6786       133.5301 156.2018 20.54044 169.7603 13.52368 -13.55856      24.59267 
1 1 1 13  5  23 f 336.6541 7.198829 3329.927       142.1335 3340.396       208.2070 3320.790       194.5059 336.6426 10.55876 335.7584 9.888461 0.8841553      14.46614 
1 1 1 13  5  24 o 254.1221 7.703523 1900.059       114.6781 1857.720       166.4375 1938.325       158.2322 250.7781 11.34586 256.2966 10.54948 -5.518494      15.49258 
1 1 1 13  5  25 o 157.9847 10.77766 738.9728       99.26165 792.5082       146.3551 693.3707       135.0766 162.8295 15.51308 152.2446 15.33702 10.58496       21.81467 
1 1 1 13  5  26 o 81.69962 19.88477 207.0209       94.36478 227.8721       140.6645 189.9581       127.2461 86.26739 25.80636 79.46671 24.70012 6.800682       35.72203 
1 1 1 13  5  27 o 188.8524 10.00887 1053.464       110.4598 989.7211       162.3496 1108.406       150.7249 182.1288 15.34176 193.1893 13.38583 -11.06055      20.36050 
1 1 1 13  5  28 o ?        ?        -537.4178      105.7962 -549.5313      159.8991 -527.9859      141.0957 33.04582 16.72181 ?        ?        0.000000       16.72181 
1 1 1 13  5  29 o 287.3358 8.526279 2431.068       143.5222 2431.907       207.0100 2430.291       199.1596 286.7395 12.33874 286.7360 11.86884 0.3479004E-02  17.12057 
1 1 1 13  5  30 o 31.99846 15.76992 -225.1754      105.4775 -135.3840      158.0058 -297.3539      141.6640 48.96575 22.76771 37.20337 18.32368 11.76238       29.22543 
1 1 1 13  5  31 o 410.4125 7.596118 4954.386       182.8365 4814.223       263.7582 5084.039       253.6760 403.7036 11.15088 415.0589 10.42950 -11.35532      15.26815 
1 1 1 13  5  32 o 108.7024 17.01404 360.4483       104.9120 255.5603       160.3498 438.9531       138.7246 90.82401 27.63743 119.2800 20.57358 -28.45598      34.45431 
1 1 1 13  5  33 o 150.0307 12.78551 671.9466       111.4282 736.3906       170.4174 623.8196       147.2709 155.5067 19.08567 143.2833 17.91601 12.22340       26.17721 
1 1 1 13  5  34 o 172.3020 10.82823 881.3825       108.8671 857.4499       162.9772 900.6660       146.2933 168.5156 16.71046 173.3468 14.52329 -4.831253      22.13968 
1 1 1 13  5  35 o 43.90648 19.61477 -38.08508      103.1330 -56.31088      153.8473 -23.21025      138.9865 53.24389 23.85892 53.11866 23.29275 0.1252251      33.34366 
1 1 1 13  5  36 o 91.32699 20.37250 263.2454       106.3408 346.9542       162.8181 200.9739       140.4305 103.4945 26.66114 80.77402 26.05460 22.72047       37.27813 
1 1 1 13  5  37 o 57.78491 22.38047 72.34604       108.0985 116.4779       165.1068 39.23562       143.0116 71.06390 27.62173 59.43024 24.75628 11.63365       37.09223 
1 1 1 13  5  38 o 83.31537 21.91346 224.6136       108.4864 112.2793       172.4721 298.1560       139.5506 70.78503 28.01511 95.17731 24.76635 -24.39228      37.39276 
1 1 1 13  5  39 o 45.72517 20.11090 -15.70841      104.3173 -39.49768      166.9801 -0.4805773     133.5960 55.63023 24.89767 53.09185 23.06611 2.538380       33.94024 
1 1 1 13  5  40 o 56.43444 21.89460 73.42982       103.5891 7.816582       152.1610 130.1083       141.4219 56.78915 24.64496 68.75622 25.84587 -11.96707      35.71251 
1 1 1 13  5  41 o 65.70535 22.40479 133.4237       103.4756 -38.39081      157.5988 263.6167       137.1883 53.53273 24.05541 88.13466 25.24787 -34.60193      34.87288 
1 1 1 13  5  42 o 115.9693 17.33641 426.9828       114.2971 508.9881       171.1418 360.9576       153.5642 122.4309 24.68813 102.1273 25.67111 20.30356       35.61615 
1 1 1 13  5  43 o 41.10826 19.09259 -76.02136      110.6277 -262.0616      163.6300 80.61084       150.1412 41.48282 20.27902 62.53187 25.63968 -21.04905      32.68994 
1 1 1 13  5  44 f 126.7180 16.52279 509.6887       119.8710 312.9401       176.2397 679.0629       163.5203 92.37811 29.12148 144.2502 19.85492 -51.87206      35.24597 
1 1 1 13  5  45 o 106.5771 18.03592 369.6204       108.7163 387.2122       167.1078 356.7107       143.1529 103.0757 27.23801 100.7082 24.47935 2.367485       36.62169 
1 1 1 13  5  46 f 138.8259 15.22991 608.0938       121.9658 648.4898       183.5686 576.1670       163.1947 137.0488 23.69579 130.2579 22.15497 6.790909       32.43969 
1 1 1 13  5  47 o 91.11561 24.29798 296.5683       132.2172 232.6452       193.0653 353.0263       181.4422 80.32217 30.19743 95.85776 29.44350 -15.53559      42.17588 
1 1 1 13  5  48 o 127.9941 20.53586 551.9743       148.9418 533.1032       207.6783 571.9598       213.7228 117.1138 30.08042 121.4279 30.15001 -4.314095      42.58937 
1 1 1 13  6  0  o 203.6600 16.64356 1227.569       197.0615 0.000000       0.000000 1227.569       197.0615 ?        ?        203.6600 16.64356 0.000000       16.64356 
1 1 1 13  6  1  f 743.2397 17.97998 16248.76       783.7340 16012.37       1087.433 16504.26       1130.558 736.2926 25.21990 747.3979 25.83116 -11.10535      36.10114 
1 1 1 13  6  2  o 1039.201 24.14286 31844.89       1471.427 31848.99       2076.999 31840.76       2084.849 1035.817 34.23732 1035.633 34.37323 0.1838379      48.51508 
1 1 1 13  6  3  o 662.4429 16.46688 12901.76       639.7499 12833.84       893.7360 12973.14       916.1669 659.4613 23.14425 662.9514 23.60129 -3.490112      33.05568 
1 1 1 13  6  4  o 427.6666 18.02586 5389.619       451.1042 5389.619       451.1042 0.000000       0.000000 427.6666 18.02586 ?        ?        0.000000       18.02586 
1 1 1 13  6  5  o 198.4356 21.16975 1172.736       242.5687 1172.736       242.5687 0.000000       0.000000 198.4356 21.16975 ?        ?        0.000000       21.16975 
1 1 1 13  6  6  o 508.4278 20.00622 7622.035       595.3828 7622.035       595.3828 0.000000       0.000000 508.4278 20.00622 ?        ?        0.000000       20.00622 
1 1 1 13  6  7  o 382.7719 20.23961 4326.145       452.7375 4326.145       452.7375 0.000000       0.000000 382.7719 20.23961 ?        ?        0.000000       20.23961 
1 1 1 13  6  8  o 703.3321 15.65026 14542.78       645.5537 14542.78       645.5537 0.000000       0.000000 703.3321 15.65026 ?        ?        0.000000       15.65026 
1 1 1 13  6  9  o 183.8683 26.36623 1018.577       276.1935 1018.577       276.1935 0.000000       0.000000 183.8683 26.36623 ?        ?        0.000000       26.36623 
1 1 1 13  6  10 f 643.6904 19.79730 12214.37       746.4778 12214.37       746.4778 0.000000       0.000000 643.6904 19.79730 ?        ?        0.000000       19.79730 
1 1 1 13  6  11 f 400.4283 18.81162 4731.558       440.5405 4731.558       440.5405 0.000000       0.000000 400.4283 18.81162 ?        ?        0.000000       18.81162 
1 1 1 13  6  12 o 389.5386 11.97977 4461.676       273.3588 4533.595       393.4365 4394.555       380.0847 392.1161 17.14988 386.0849 16.82640 6.031158       24.02594 
1 1 1 13  6  13 o 430.8681 11.41616 5456.969       288.2252 5286.668       407.9268 5626.745       407.2978 423.5358 16.45389 437.0345 15.91739 -13.49872      22.89310 
1 1 1 13  6  14 o 660.5511 12.66648 12824.43       490.6964 12727.82       696.0433 12919.88       691.8744 657.0264 18.08073 662.0169 17.83625 -4.990540      25.39773 
1 1 1 13  6  15 o 366.1077 11.05553 3941.772       237.1052 4439.298       374.4677 3608.821       306.3355 387.8857 16.49883 349.8592 14.96435 38.02655       22.27427 
1 1 1 13  6  16 o 596.3477 11.65215 10454.18       407.5266 10368.85       577.5441 10538.80       575.1229 592.9241 16.62511 597.8096 16.41945 -4.885559      23.36649 
1 1 1 13  6  17 o 392.7707 8.694497 4530.703       200.2784 4593.741       338.5973 4496.779       248.3891 394.6686 14.65396 390.9819 10.84289 3.686737       18.22929 
1 1 1 13  6  18 o 67.00977 25.49163 94.52528       138.5288 151.3171       236.6112 64.90552       170.8768 86.13263 33.17757 68.56313 27.63208 17.56950       43.17735 
1 1 1 13  6  19 o 44.45017 19.92006 -48.12077      107.2675 186.1226       188.1168 -160.9807      130.5762 84.53242 30.11766 41.62456 19.76576 42.90787       36.02442 
1 1 1 13  6  20 f 454.3111 8.387443 6064.785       223.4773 6510.817       404.3453 5868.614       268.1554 469.5021 14.70280 446.6799 10.23622 22.82224       17.91515 
1 1 1 13  6  21 o 287.2011 8.283036 2426.140       139.3710 2420.101       240.9405 2429.177       170.8562 285.9640 14.41287 287.1609 10.16108 -1.196899      17.63458 
1 1 1 13  6  22 o 79.41952 21.50961 194.2341       102.6389 138.2228       177.1563 222.5351       125.9272 77.24873 28.95076 85.11369 24.12647 -7.864952      37.68598 
1 1 1 13  6  23 o 406.8089 7.848792 4864.458       187.2595 5372.516       341.8167 4646.590       223.8377 426.2778 13.69032 397.3597 9.605036 28.91809       16.72368 
1 1 1 13  6  24 o 82.68005 26.20461 203.9469       142.5291 312.9659       165.3354 -111.4775      281.2304 100.1039 27.37822 71.55946 32.14682 28.54448       42.22541 
1 1 1 13  6  25 o 234.9155 8.166881 1624.964       112.3459 1545.822       163.8308 1695.215       154.3547 228.5160 12.26941 239.5457 11.01654 -11.02971      16.48947 
1 1 1 13  6  26 o 228.3163 8.411713 1535.560       112.4421 1505.675       167.0694 1560.307       152.0271 225.4280 12.68805 229.7324 11.31846 -4.304352      17.00277 
1 1 1 13  6  27 o 62.36090 21.88223 103.7214       98.99760 181.8806       153.6266 48.21651       129.4619 80.15487 27.30016 59.30814 23.99812 20.84673       36.34843 
1 1 1 13  6  28 o 354.8711 7.861067 3702.984       163.6073 3577.478       234.1473 3822.720       228.7001 348.0794 11.48564 359.9575 10.84577 -11.87805      15.79717 
1 1 1 13  6  29 o 167.8236 12.83137 836.8175       125.3346 1020.846       187.6081 688.4770       168.4373 184.4980 17.54952 150.7427 19.50961 33.75526       26.24139 
1 1 1 13  6  30 o 119.2730 16.89470 430.9763       114.8760 159.7816       168.6762 665.5737       156.8826 78.51513 28.45088 148.3537 18.42723 -69.83860      33.89713 
1 1 1 13  6  31 o 214.0834 9.347490 1352.852       117.0794 1478.630       178.3375 1257.580       155.2114 223.0149 13.70124 205.7656 12.92708 17.24925       18.83702 
1 1 1 13  6  32 o 233.4052 9.231235 1608.361       126.1140 1759.825       195.9651 1501.282       164.7686 243.1765 13.79724 224.8392 12.54519 18.33722       18.64794 
1 1 1 13  6  33 f 318.9014 7.825579 2994.661       146.3603 3100.819       213.4155 2900.399       201.1024 323.5923 11.26263 313.0259 10.97131 10.56647       15.72312 
1 1 1 13  6  34 o 156.6291 11.58484 730.3837       105.6643 749.8969       156.5513 714.0562       143.2031 157.3124 17.25113 153.7823 16.11714 3.530075       23.60855 
1 1 1 13  6  35 o 53.07914 22.02708 27.24684       112.6068 17.67186       173.3047 34.24304       148.1401 62.89664 26.78053 60.32945 25.16863 2.567192       36.75128 
1 1 1 13  6  36 o 103.5119 18.94924 334.0952       110.7978 159.3790       179.3880 441.8552       140.8820 78.06885 29.15809 118.7293 21.00053 -40.66048      35.93350 
1 1 1 13  6  37 o 163.0854 12.03569 797.1872       114.3052 767.5188       168.7630 822.3336       155.3702 157.6708 18.60862 164.1815 16.35313 -6.510712      24.77308 
1 1 1 13  6  38 o 45.01372 19.99919 -27.32825      105.7051 191.7678       161.5318 -191.4206      139.7928 79.31614 27.94197 40.94950 19.71307 38.36664       34.19589 
1 1 1 13  6  39 o 125.0297 14.76777 480.1026       106.2002 511.6360       167.4784 458.8958       137.3444 125.0173 23.70952 119.9124 20.25012 5.104904       31.18026 
1 1 1 13  6  40 o 95.02708 23.79084 301.2203       132.2739 -62.63258      429.1021 339.4249       139.0450 83.04194 38.22512 100.9130 23.87026 -17.87109      45.06606 
1 1 1 13  6  41 o 62.89132 22.16472 118.0718       101.6486 69.03688       158.0505 152.6613       132.7441 63.05724 26.12546 70.64278 25.28506 -7.585541      36.35758 
1 1 1 13  6  42 o 73.19178 22.28159 177.5036       104.2084 270.2014       159.0548 107.7869       137.9369 87.93234 27.65788 64.59700 25.20745 23.33534       37.42157 
1 1 1 13  6  43 o 201.7738 10.24511 1226.033       120.8393 1182.007       180.3135 1261.926       162.8091 194.5369 15.94409 202.5893 13.78499 -8.052353      21.07699 
1 1 1 13  6  44 o 45.34814 20.24330 -21.24247      109.6268 -53.92370      175.5075 -0.3339291     140.3810 54.19600 24.75983 52.81665 23.27596 1.379356       33.98264 
1 1 1 13  6  45 f 94.64955 21.99705 306.6384       119.7754 615.0480       194.9815 119.7275       151.7913 131.7084 26.16484 66.15753 26.25052 65.55089       37.06330 
1 1 1 13  6  46 o 112.5089 18.48725 415.0248       117.7527 389.5338       176.8989 435.3059       157.7895 101.8574 28.49887 110.7666 24.89701 -8.909157      37.84239 
1 1 1 13  6  47 o 50.34546 22.12159 5.332114       125.9396 31.41014       198.5342 -12.22749      162.9129 62.18171 27.52900 54.52657 24.48342 7.655136       36.84133 
1 1 1 13  7  0  o 621.6700 12.93687 11351.31       471.6714 11253.26       787.7480 11406.11       588.9052 617.6818 21.77971 622.6802 16.13972 -4.998413      27.10806 
1 1 1 13  7  1  o 830.7571 19.73839 20314.66       961.6928 21105.75       1391.711 19591.71       1330.435 844.6801 28.13278 813.8404 27.91563 30.83972       39.63251 
1 1 1 13  7  2  o 85.93550 34.06556 118.1659       255.3939 0.000000       0.000000 118.1659       255.3939 ?        ?        85.93550 34.06556 0.000000       34.06556 
1 1 1 13  7  3  o 679.7724 16.87396 13588.12       672.7151 13568.79       942.2286 13608.22       960.7679 677.9572 23.73416 678.8588 24.17030 -0.9016724     33.87498 
1 1 1 13  7  4  o 1000.698 33.28629 29718.88       1950.806 29718.88       1950.806 0.000000       0.000000 1000.698 33.28629 ?        ?        0.000000       33.28629 
1 1 1 13  7  5  o 507.1873 19.80024 7584.321       587.8334 7584.321       587.8334 0.000000       0.000000 507.1873 19.80024 ?        ?        0.000000       19.80024 
1 1 1 13  7  6  o 328.0366 18.98951 3177.580       363.7693 3177.580       363.7693 0.000000       0.000000 328.0366 18.98951 ?        ?        0.000000       18.98951 
1 1 1 13  7  7  o 785.6104 27.17208 18258.74       1250.047 18258.74       1250.047 0.000000       0.000000 785.6104 27.17208 ?        ?        0.000000       27.17208 
1 1 1 13  7  8  f 258.9703 23.97153 1995.263       359.9482 1995.263       359.9482 0.000000       0.000000 258.9703 23.97153 ?        ?        0.000000       23.97153 
1 1 1 13  7  9  o 300.4861 17.34239 2665.251       304.3232 2665.251       304.3232 0.000000       0.000000 300.4861 17.34239 ?        ?        0.000000       17.34239 
1 1 1 13  7  10 o 584.0201 14.70425 10032.99       503.2408 10032.99       503.2408 0.000000       0.000000 584.0201 14.70425 ?        ?        0.000000       14.70425 
1 1 1 13  7  11 o 390.4976 17.59006 4497.289       401.8091 4497.289       401.8091 0.000000       0.000000 390.4976 17.59006 ?        ?        0.000000       17.59006 
1 1 1 13  7  12 o 417.3071 16.94281 5133.677       413.7975 5133.677       413.7975 0.000000       0.000000 417.3071 16.94281 ?        ?        0.000000       16.94281 
1 1 1 13  7  13 o 1148.388 19.75532 38880.36       1330.525 38403.75       1852.994 39387.62       1911.671 1138.363 27.75511 1152.621 28.27979 -14.25842      39.62439 
1 1 1 13  7  14 o 349.6861 11.48949 3596.849       235.3097 3658.809       354.2058 3547.902       314.8212 352.0173 17.20914 346.8532 15.51560 5.164124       23.17085 
1 1 1 13  7  15 o 521.3383 11.10349 7986.976       339.4922 7611.073       468.2218 8403.652       492.9618 508.1393 15.73047 533.9606 15.75901 -25.82129      22.26643 
1 1 1 13  7  16 o 207.5636 14.04135 1273.843       169.9210 1272.717       246.1388 1274.869       234.8664 206.4959 20.59895 206.8441 19.59461 -0.3482513     28.43001 
1 1 1 13  7  17 o 495.8647 10.89193 7228.448       316.7515 0.000000       0.000000 7228.448       316.7515 ?        ?        495.8647 10.89193 0.000000       10.89193 
1 1 1 13  7  18 o 200.9707 10.59411 1190.826       124.4260 1299.587       205.7502 1128.117       156.2315 209.1332 16.91951 195.2230 13.73304 13.91020       21.79143 
1 1 1 13  7  19 o 611.5745 9.630389 10995.34       345.4171 11097.73       596.7803 10943.75       423.5809 612.6784 16.62390 609.7468 11.84503 2.931641       20.41223 
1 1 1 13  7  20 f 617.9962 9.646670 11231.00       349.6341 11603.89       622.9375 11059.51       422.4496 626.0981 16.98059 612.8413 11.75375 13.25684       20.65166 
1 1 1 13  7  21 o 184.6781 10.23731 1006.683       110.4458 1055.044       196.5448 984.3646       133.5209 187.8180 18.06583 182.3098 12.56473 5.508194       22.00560 
1 1 1 13  7  22 o 576.0850 9.250117 9762.311       312.5247 9952.226       539.5173 9666.401       383.4011 579.6883 15.88437 572.7809 11.41338 6.907349       19.55961 
1 1 1 13  7  23 o 374.6815 7.859065 4126.831       172.6965 4161.762       291.6273 4107.965       214.3158 375.1786 13.27469 373.4429 9.793869 1.735687       16.49659 
1 1 1 13  7  24 o 55.02451 21.34134 58.49962       98.39796 -94.49577      164.4704 143.7884       122.7989 53.08241 24.14183 71.67977 24.40793 -18.59736      34.33038 
1 1 1 13  7  25 o 470.4171 7.364644 6504.981       203.1820 6352.263       283.8454 6665.466       290.9727 464.2950 10.42407 475.6018 10.43178 -11.30673      14.74731 
1 1 1 13  7  26 o 28.86073 14.34755 -233.4545      94.53915 -306.1163      148.0824 -183.4632      122.8282 38.22663 18.80943 38.35247 18.46677 -0.1258392     26.35937 
1 1 1 13  7  27 o 167.1902 11.50145 828.3584       112.0882 953.9982       178.5083 746.5765       144.0201 178.3792 17.27948 157.9269 15.75971 20.45230       23.38694 
1 1 1 13  7  28 o 159.6378 13.30924 758.2643       123.4735 866.8278       183.9643 669.2654       166.5651 169.6160 18.80918 148.6003 19.58896 21.01576       27.15718 
1 1 1 13  7  29 o 274.7372 8.879859 2223.709       142.8905 1984.245       203.4005 2457.043       200.7803 258.7115 13.45179 288.2853 11.90098 -29.57388      17.96062 
1 1 1 13  7  30 o 236.3196 8.997663 1646.661       124.4761 1574.644       184.8696 1706.389       168.3582 230.2384 13.75376 240.0688 11.99571 -9.830383      18.25001 
1 1 1 13  7  31 o 180.5949 10.91206 966.1358       115.0355 919.5533       177.8495 999.6425       150.8370 174.7533 17.59223 183.0908 14.15713 -8.337479      22.58121 
1 1 1 13  7  32 o 131.6472 14.72982 521.3457       111.7787 471.3242       169.3732 559.9426       148.7794 122.5059 24.43150 135.3369 19.28995 -12.83103      31.12877 
1 1 1 13  7  33 o 82.55921 22.07000 213.8441       108.9166 50.14914       160.9213 352.2256       147.9568 64.31711 26.47641 105.4418 24.40867 -41.12471      36.01088 
1 1 1 13  7  34 o 63.01886 22.21300 107.9637       102.0947 167.9477       164.8914 70.67159       130.0136 78.37642 28.16554 61.61229 24.34279 16.76413       37.22727 
1 1 1 13  7  35 o 138.7470 14.18945 579.8238       113.8380 675.2280       176.6404 512.0516       148.8785 147.7023 20.98121 128.4628 20.44531 19.23944       29.29543 
1 1 1 13  7  36 o 212.7440 9.502295 1341.617       118.2603 1218.362       179.9051 1435.402       156.9300 200.9548 15.38183 219.3012 12.25022 -18.34634      19.66389 
1 1 1 13  7  37 o 198.1260 9.929582 1167.726       115.0103 1217.098       170.6398 1126.630       155.6851 200.6471 14.60088 193.3115 13.82339 7.335617       20.10651 
1 1 1 13  7  38 o 104.8416 17.61289 344.6172       104.4605 341.9351       155.2702 346.8348       141.1905 101.2684 26.00899 102.7700 23.88158 -1.501640      35.31001 
1 1 1 13  7  39 f 83.42796 21.00976 226.7320       102.7223 149.7064       152.9789 289.9789       138.6224 72.55708 26.96011 93.16159 24.89581 -20.60452      36.69672 
1 1 1 13  7  40 o 102.6992 17.13767 332.6839       99.58620 271.5692       157.6301 373.2805       128.4727 89.38346 27.44144 107.1036 21.20355 -17.72017      34.67885 
1 1 1 13  7  41 o 89.01115 24.39453 268.9290       131.1070 619.5021       421.4640 231.3703       137.9514 119.9200 44.71236 82.69421 25.72054 37.22581       51.58237 
1 1 1 13  7  42 o 123.8762 15.38214 479.2738       109.3520 379.1053       156.6661 574.4400       152.7041 104.5315 25.73093 133.0385 20.20599 -28.50702      32.71640 
1 1 1 13  7  43 o 46.96421 20.63168 -6.327591      109.4956 -121.9544      159.3973 96.98573       150.6711 47.57221 22.36116 64.26670 25.93054 -16.69449      34.24054 
1 1 1 13  7  44 o 223.9973 9.988470 1511.883       130.8876 1586.110       203.6489 1459.642       170.8474 225.2584 15.50992 217.7356 13.44473 7.522812       20.52604 
1 1 1 13  7  45 o 78.02431 23.94490 211.9725       120.0338 110.7237       198.9225 269.9488       150.5270 69.27872 29.05206 86.36820 26.86795 -17.08948      39.57156 
1 1 1 13  7  46 o 105.0970 20.90035 373.8292       124.2871 589.4290       217.5344 269.3417       151.4384 124.3517 30.14499 85.73006 26.99060 38.62163       40.46249 
1 1 1 13  7  47 o 185.7084 12.41917 1062.289       134.4841 1236.046       210.4854 942.4263       174.8204 194.7371 18.65784 170.7265 17.71715 24.01062       25.72960 
1 1 1 13  8  0  o 677.1388 16.64681 13482.56       661.0878 13300.23       914.9573 13681.71       956.2477 671.2670 23.27623 680.6993 23.99077 -9.432251      33.42663 
1 1 1 13  8  1  o 232.9060 12.77575 1598.031       173.8405 1645.575       222.9058 1524.220       277.7339 236.0315 16.20103 226.5127 21.15125 9.518860       26.64299 
1 1 1 13  8  2  o 562.9971 14.84830 9321.592       489.8398 9564.418       687.5024 9071.226       698.0954 569.5303 20.61694 554.4959 21.50752 15.03436       29.79314 
1 1 1 13  8  3  o 618.3913 15.88221 11249.53       575.5264 11727.41       822.9091 10791.99       805.2139 630.4326 22.29188 604.6566 22.74715 25.77600       31.84903 
1 1 1 13  8  4  o 323.4529 13.54496 3079.002       256.3757 3380.301       346.2464 2713.333       381.4439 338.5460 17.49819 302.7061 21.62868 35.83990       27.82062 
1 1 1 13  8  5  o 377.1896 18.10757 4195.634       399.3926 4195.634       399.3926 0.000000       0.000000 377.1896 18.10757 ?        ?        0.000000       18.10757 
1 1 1 13  8  6  o 766.3843 26.50329 17370.64       1189.441 17370.64       1189.441 0.000000       0.000000 766.3843 26.50329 ?        ?        0.000000       26.50329 
1 1 1 13  8  7  o 196.5375 21.70488 1152.043       246.0178 1152.043       246.0178 0.000000       0.000000 196.5375 21.70488 ?        ?        0.000000       21.70488 
1 1 1 13  8  8  o 419.5296 14.30942 5178.815       351.5596 5178.815       351.5596 0.000000       0.000000 419.5296 14.30942 ?        ?        0.000000       14.30942 
1 1 1 13  8  9  o 439.9672 14.24195 5695.399       367.0015 5695.399       367.0015 0.000000       0.000000 439.9672 14.24195 ?        ?        0.000000       14.24195 
1 1 1 13  8  10 o 288.8013 16.01548 2460.791       270.2001 2460.791       270.2001 0.000000       0.000000 288.8013 16.01548 ?        ?        0.000000       16.01548 
1 1 1 13  8  11 f 493.4597 13.26035 7161.406       383.4099 7161.406       383.4099 0.000000       0.000000 493.4597 13.26035 ?        ?        0.000000       13.26035 
1 1 1 13  8  12 o 350.2243 17.63143 3620.802       360.9816 3620.802       360.9816 0.000000       0.000000 350.2243 17.63143 ?        ?        0.000000       17.63143 
1 1 1 13  8  13 o 561.5912 11.66794 9266.882       384.2954 9121.537       537.0693 9419.375       550.1171 556.3742 16.47751 565.3705 16.60896 -8.996338      23.39585 
1 1 1 13  8  14 o 540.4429 16.60303 8611.745       525.6205 8611.745       525.6205 0.000000       0.000000 540.4429 16.60303 ?        ?        0.000000       16.60303 
1 1 1 13  8  15 o 169.5723 24.86238 870.1592       239.9152 0.000000       0.000000 870.1592       239.9152 ?        ?        169.5723 24.86238 0.000000       24.86238 
1 1 1 13  8  16 o 79.82376 29.30539 153.0993       179.8103 0.000000       0.000000 153.0993       179.8103 ?        ?        79.82376 29.30539 0.000000       29.30539 
1 1 1 13  8  17 o 171.2647 12.69696 867.9366       126.6247 970.9108       209.1310 808.3354       159.1041 180.0449 20.15081 164.6821 16.70428 15.36273       26.17419 
1 1 1 13  8  18 o 158.6475 13.18698 746.3648       121.5874 909.5398       216.1296 670.8118       147.0663 173.7859 21.67544 149.7501 17.04863 24.03577       27.57681 
1 1 1 13  8  19 o 173.3335 11.60002 888.3154       117.2424 1045.746       205.8152 812.6879       142.6501 186.9426 19.03770 165.2995 14.87354 21.64313       24.15898 
1 1 1 13  8  20 o 536.9693 8.934587 8476.634       281.3679 8548.311       482.4580 8439.690       346.3709 537.7005 15.31479 535.4418 11.03008 2.258728       18.87341 
1 1 1 13  8  21 o 514.5780 11.36618 7799.601       343.0175 8092.822       468.3925 7460.463       503.7331 522.9974 15.28714 501.5509 17.15040 21.44644       22.97461 
1 1 1 13  8  22 o 240.7714 8.955709 1707.417       126.2402 1892.756       235.5342 1632.716       149.5322 252.3505 15.99707 235.1910 10.87025 17.15950       19.34086 
1 1 1 13  8  23 o 174.3344 10.45727 898.4335       106.4268 1075.521       207.7540 835.4274       123.9217 189.2008 18.97904 167.7606 12.68935 21.44022       22.83032 
1 1 1 13  8  24 o 277.3197 8.072268 2263.507       131.1488 2331.798       229.5333 2230.406       159.8028 280.4515 13.99950 275.0238 9.923759 5.427765       17.16004 
1 1 1 13  8  25 o 261.0970 7.602664 2005.970       116.2935 2056.134       176.9023 1967.791       154.3272 263.7704 11.46291 258.2397 10.21000 5.530701       15.35065 
1 1 1 13  8  26 o 544.3682 7.970663 8714.731       254.4706 8811.538       369.3921 8627.295       351.0591 546.5288 11.52455 540.9109 11.06634 5.617859       15.97746 
1 1 1 13  8  27 f 248.3412 8.766481 1816.941       127.4802 1868.294       196.3449 1779.518       167.6135 251.0631 13.38315 245.3235 11.68340 5.739532       17.76543 
1 1 1 13  8  28 o 331.4193 8.193337 3230.579       159.2536 3489.001       240.6307 3029.173       212.4329 343.6343 11.95821 320.2884 11.32699 23.34598       16.47117 
1 1 1 13  8  29 o 237.7322 9.294616 1666.540       129.3398 1664.081       188.7068 1668.720       177.6241 236.7995 13.64581 237.2972 12.81067 -0.4976807     18.71688 
1 1 1 13  8  30 o 235.9301 8.778698 1641.032       121.2567 1591.871       183.6523 1679.026       161.4509 231.4978 13.58665 238.1795 11.59289 -6.681717      17.86035 
1 1 1 13  8  31 o 85.21368 21.38026 226.8778       106.6599 345.1182       170.6519 151.0770       136.6360 104.3534 27.50162 73.84052 25.72172 30.51293       37.65562 
1 1 1 13  8  32 o 211.4269 10.19060 1322.730       125.9882 1185.134       191.5671 1427.607       167.2473 198.5963 16.59916 219.0437 13.07856 -20.44733      21.13246 
1 1 1 13  8  33 o 55.43767 22.01474 53.08038       106.8393 43.39214       167.4833 59.72787       138.7325 64.63531 26.84654 61.76579 24.89599 2.869526       36.61348 
1 1 1 13  8  34 o 315.5761 8.042038 2936.795       148.7191 3171.612       222.8474 2748.239       199.6936 326.9642 11.63992 304.4632 11.20263 22.50107       16.15508 
1 1 1 13  8  35 o 267.2921 8.678461 2111.156       135.8637 2249.222       208.4481 2009.180       179.1446 274.6240 12.97895 259.9111 11.78309 14.71286       17.52982 
1 1 1 13  8  36 o 55.89965 22.16387 57.98684       108.1331 67.12832       183.1234 53.09296       133.9868 68.40458 28.21007 59.62743 24.30785 8.777153       37.23815 
1 1 1 13  8  37 o 139.4231 13.52808 588.3158       109.2283 609.2630       174.6001 574.8464       140.0091 138.4386 22.25930 136.2245 17.96196 2.214127       28.60259 
1 1 1 13  8  38 o 117.3007 16.11199 425.9039       107.9155 402.3812       172.3706 441.0672       138.3941 109.3381 27.03475 117.4485 20.85579 -8.110397      34.14442 
1 1 1 13  8  39 o 136.5909 13.78111 569.5454       108.8888 393.2838       170.0063 692.1531       141.7898 107.4957 27.00485 149.5242 16.43989 -42.02857      31.61537 
1 1 1 13  8  40 o 75.79502 22.68631 188.3810       108.6842 239.2067       182.0670 160.2425       135.4690 85.04790 29.68731 72.20448 25.57494 12.84341       39.18435 
1 1 1 13  8  41 o 42.25263 19.37675 -59.22036      108.8502 105.6665       180.4825 -153.4826      136.4617 69.03246 28.18547 41.73652 19.92735 27.29594       34.51840 
1 1 1 13  8  42 o 49.09995 21.21872 8.433979       111.8422 54.25965       185.4400 -17.76515      140.2144 64.42989 27.57514 51.74941 23.01023 12.68047       35.91460 
1 1 1 13  8  43 o 38.43924 18.19114 -106.1471      108.7965 -102.1162      156.5947 -109.9083      151.2665 48.20700 22.49866 46.77919 21.92317 1.427811       31.41361 
1 1 1 13  8  44 o 118.7412 17.62637 454.1050       119.0285 413.8223       175.1114 488.7019       162.2832 106.5675 27.74935 118.9391 24.09156 -12.37158      36.74819 
1 1 1 13  8  45 o 51.23445 22.13352 18.63025       121.6111 117.8502       196.2684 -43.20140      154.9374 69.61414 29.00040 51.40965 23.40079 18.20449       37.26420 
1 1 1 13  8  46 o 87.97009 24.33785 276.1751       129.8053 312.8915       230.2726 259.0740       157.1536 89.30148 33.09671 83.90433 27.59706 5.397156       43.09281 
1 1 1 13  8  47 o 110.2730 22.22907 419.3662       138.7906 197.7911       226.6661 552.2699       175.5475 77.71757 31.64101 124.7257 24.87156 -47.00815      40.24609 
1 1 1 13  9  0  o 370.9230 12.06661 4044.771       262.1447 3656.743       334.1884 4665.441       422.6589 352.2862 16.21855 397.7906 18.16489 -45.50433      24.35169 
1 1 1 13  9  1  o 525.8854 14.07768 8131.980       433.7924 7857.530       582.5977 8473.447       649.8474 516.3046 19.27415 535.9749 20.71260 -19.67023      28.29319 
1 1 1 13  9  2  o 670.1420 16.72066 13207.11       657.1594 13365.02       922.4510 13044.37       936.4342 672.8060 23.41345 664.5479 24.06680 8.258118       33.57678 
1 1 1 13  9  3  o 484.1884 14.12899 6894.752       400.7849 6676.544       527.7274 7192.123       616.0609 475.8998 18.94578 493.6200 21.33077 -17.72018      28.52971 
1 1 1 13  9  4  o 636.5637 16.47383 11924.27       614.5002 11751.42       837.7388 12125.59       904.1218 630.9385 22.67660 640.6424 24.10661 -9.703857      33.09617 
1 1 1 13  9  5  o 592.1943 21.95332 10350.59       761.1364 10350.59       761.1364 0.000000       0.000000 592.1943 21.95332 ?        ?        0.000000       21.95332 
1 1 1 13  9  6  o 286.5554 20.61786 2431.364       344.1833 2431.364       344.1833 0.000000       0.000000 286.5554 20.61786 ?        ?        0.000000       20.61786 
1 1 1 13  9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  9  8  o 619.5767 14.87994 11285.56       540.6880 11285.56       540.6880 0.000000       0.000000 619.5767 14.87994 ?        ?        0.000000       14.87994 
1 1 1 13  9  9  o 291.6662 15.09581 2508.041       257.3431 2508.041       257.3431 0.000000       0.000000 291.6662 15.09581 ?        ?        0.000000       15.09581 
1 1 1 13  9  10 o 623.7534 14.11434 11437.62       516.3260 11437.62       516.3260 0.000000       0.000000 623.7534 14.11434 ?        ?        0.000000       14.11434 
1 1 1 13  9  11 o 276.9874 21.34710 2276.539       344.1027 2276.539       344.1027 0.000000       0.000000 276.9874 21.34710 ?        ?        0.000000       21.34710 
1 1 1 13  9  12 o 577.0714 10.33566 9780.259       349.7987 10254.78       466.5519 9171.083       528.6224 590.5864 13.46995 557.9559 16.17162 32.63043       21.04664 
1 1 1 13  9  13 o 367.8681 11.01761 3979.563       237.4325 3968.799       334.3699 3990.509       337.2086 366.8520 15.57669 367.8438 15.66681 -0.9917603     22.09258 
1 1 1 13  9  14 o 174.6193 18.07760 908.7636       182.4584 926.0086       256.2327 891.0247       259.8762 174.8778 25.75358 171.2684 26.74645 3.609390       37.12976 
1 1 1 13  9  15 o 521.2556 15.41420 8011.489       470.7007 0.000000       0.000000 8011.489       470.7007 ?        ?        521.2556 15.41420 0.000000       15.41420 
1 1 1 13  9  16 o 386.4542 9.875003 4391.525       223.6299 4028.318       305.4376 4811.196       328.3218 369.5756 14.11783 403.9791 13.87828 -34.40347      19.79697 
1 1 1 13  9  17 o 528.4054 10.62836 8210.001       329.3699 8547.961       497.9325 7947.091       439.1792 538.0563 15.79657 519.0790 14.44043 18.97729       21.40228 
1 1 1 13  9  18 o 213.1743 10.86804 1340.282       135.4258 1445.217       218.3997 1274.730       172.6187 220.4955 17.02058 207.4407 14.27577 13.05479       22.21481 
1 1 1 13  9  19 o 200.3670 10.45064 1184.337       122.3815 947.6939       211.2615 1303.857       150.1389 177.4739 20.68443 210.0368 12.24147 -32.56287      24.03538 
1 1 1 13  9  20 o 188.2918 11.18238 1047.618       122.9294 749.6313       230.9208 1165.459       145.2160 156.1474 26.13921 198.4492 12.54127 -42.30182      28.99210 
1 1 1 13  9  21 o 183.4503 11.27913 995.1090       120.7646 928.1426       226.0582 1021.853       142.8583 174.9402 22.55785 185.6268 13.20873 -10.68655      26.14052 
1 1 1 13  9  22 o 275.9629 8.450689 2241.544       136.6096 2241.156       244.2058 2241.722       164.8092 274.7945 15.21232 275.7375 10.20906 -0.9430237     18.32046 
1 1 1 13  9  23 o 516.4238 8.720471 7845.873       264.1172 7968.739       457.9367 7784.630       323.3097 518.5736 15.07321 513.9779 10.72565 4.595703       18.49976 
1 1 1 13  9  24 o 441.5637 8.091326 5734.229       209.5384 5964.433       368.2400 5624.000       254.8139 448.8234 14.00673 436.9743 9.942985 11.84903       17.17706 
1 1 1 13  9  25 o 540.4288 8.934272 8595.542       283.1706 8631.805       477.9706 8575.931       351.4975 539.5444 15.12000 539.2776 11.11372 0.2668457      18.76511 
1 1 1 13  9  26 o 237.7937 8.504456 1665.665       118.4125 1463.388       183.4919 1810.018       155.0093 221.9484 14.17062 247.5780 10.70094 -25.62964      17.75715 
1 1 1 13  9  27 o 93.89336 20.84126 273.5109       111.7696 270.5447       182.8322 275.2809       141.2337 94.40856 29.64743 93.94236 25.14029 0.4662018      38.87164 
1 1 1 13  9  28 o 246.4070 9.534860 1790.448       137.5300 1660.077       213.8654 1882.377       179.5878 236.1462 15.52836 252.2249 12.17653 -16.07869      19.73317 
1 1 1 13  9  29 o 183.2939 11.23933 994.8705       120.2391 1025.976       188.9749 973.7120       155.8578 184.8577 17.64457 180.6720 14.83982 4.185684       23.05539 
1 1 1 13  9  30 o 80.93606 22.00923 203.5729       107.2054 -6.573608      174.6085 330.7218       135.8190 61.63708 26.57384 102.8035 23.09248 -41.16638      35.20557 
1 1 1 13  9  31 o 170.7019 11.68389 865.4357       116.2652 1055.397       185.3334 742.1661       149.2965 187.3419 17.05495 156.9935 16.45943 30.34839       23.70199 
1 1 1 13  9  32 o 268.7127 8.608896 2130.104       135.4957 2096.916       202.6394 2156.942       182.2223 265.5809 13.04994 269.7617 11.54453 -4.180756      17.42346 
1 1 1 13  9  33 o 190.7288 11.08529 1079.857       123.4634 865.2962       193.5076 1227.168       160.3394 168.2569 20.00080 202.7733 13.56071 -34.51642      24.16454 
1 1 1 13  9  34 o 227.0396 9.927361 1526.334       131.8666 1432.453       200.5872 1597.788       174.9962 218.3174 15.77257 231.5301 12.93904 -13.21274      20.40079 
1 1 1 13  9  35 o 136.5941 15.32498 565.4526       120.6525 372.2306       186.3850 704.8188       158.2930 106.7384 29.01805 151.7727 18.14246 -45.03425      34.22274 
1 1 1 13  9  36 o 80.97010 21.56017 209.2209       104.1976 213.3956       165.0514 206.4545       134.3557 83.35632 28.29849 80.92297 25.41526 2.433342       38.03603 
1 1 1 13  9  37 o 148.3670 12.10884 662.2555       104.4480 628.7347       164.4916 684.9016       135.2020 141.3248 20.43895 149.6672 15.63330 -8.342346      25.73229 
1 1 1 13  9  38 o 105.8444 17.27002 351.1441       103.5109 248.9423       159.7971 425.0306       135.8695 86.80570 27.77335 115.1261 20.89244 -28.32040      34.75418 
1 1 1 13  9  39 o 32.91940 16.04592 -170.1505      100.3224 -423.6814      157.3019 3.678180       130.2505 35.17487 17.63989 52.67246 22.83031 -17.49759      28.85115 
1 1 1 13  9  40 o 55.89111 21.68846 73.10291       101.6643 262.6652       164.2702 -44.57604      129.4292 87.71639 28.16892 47.95604 21.65233 39.76036       35.52902 
1 1 1 13  9  41 o 88.08369 21.29819 258.0857       108.8033 201.7513       176.7351 292.4668       138.0689 79.17580 29.05600 92.27729 24.92836 -13.10149      38.28413 
1 1 1 13  9  42 o 125.5171 16.02895 495.3300       115.3048 280.7644       180.2524 643.9409       150.0121 88.78443 29.56915 141.8756 18.46665 -53.09121      34.86190 
1 1 1 13  9  43 o 129.2151 16.27591 528.1270       120.6110 619.4720       188.4231 464.7189       156.9872 134.1114 24.87178 116.5025 23.78181 17.60888       34.41191 
1 1 1 13  9  44 o 66.39871 24.17871 138.4258       122.0263 215.2728       195.0228 88.98262       156.4317 79.57978 30.25261 63.35041 26.09414 16.22937       39.95153 
1 1 1 13  9  45 o 49.83990 21.81558 5.333264       121.4280 53.62188       189.5490 -28.27713      158.1378 63.41592 27.51380 52.95970 23.92045 10.45622       36.45815 
1 1 1 13  9  46 o 47.87953 21.61412 -28.68785      128.9093 -14.16490      213.6965 -36.99589      161.6290 60.84112 27.61066 52.56358 23.91620 8.277538       36.52853 
1 1 1 13  9  47 o 130.6782 17.85975 556.8053       133.2987 538.4789       218.3214 567.6976       168.3130 116.7104 31.26774 127.6937 23.33449 -10.98328      39.01500 
1 1 1 13  10 0  o 750.5231 18.16722 16575.74       799.6556 16147.30       1095.163 17065.03       1170.345 739.1210 25.30192 759.6160 26.31027 -20.49506      36.50229 
1 1 1 13  10 1  o 611.2755 15.63137 10992.76       559.9227 10812.94       762.0703 11203.71       825.4187 605.3749 21.49860 615.9797 22.88829 -10.60480      31.40165 
1 1 1 13  10 2  o 187.6440 16.39208 1043.294       178.5835 1046.779       214.2767 1035.366       323.1501 187.5175 19.78197 184.5342 30.95418 2.983276       36.73537 
1 1 1 13  10 3  f 70.42923 27.95308 77.55533       172.1641 111.2337       195.7793 -37.33001      361.5957 77.44357 30.08469 88.29295 38.15450 -10.84938      48.58863 
1 1 1 13  10 4  o 520.9614 14.81552 7984.035       452.2011 7870.044       599.9890 8133.934       688.0316 516.5697 19.84139 524.7609 22.40770 -8.191223      29.92968 
1 1 1 13  10 5  o 205.8233 18.72980 1257.297       223.6145 1061.015       268.5183 1701.434       403.9164 187.9533 24.97751 237.9467 29.58102 -49.99341      38.71580 
1 1 1 13  10 6  o 704.0763 15.81279 14578.10       652.9481 14578.10       652.9481 0.000000       0.000000 704.0763 15.81279 ?        ?        0.000000       15.81279 
1 1 1 13  10 7  o 419.0924 14.09876 5168.250       346.0368 5168.250       346.0368 0.000000       0.000000 419.0924 14.09876 ?        ?        0.000000       14.09876 
1 1 1 13  10 8  o 207.8083 18.63549 1281.771       224.7106 1281.771       224.7106 0.000000       0.000000 207.8083 18.63549 ?        ?        0.000000       18.63549 
1 1 1 13  10 9  f 351.1721 13.11989 3629.201       269.7345 3629.201       269.7345 0.000000       0.000000 351.1721 13.11989 ?        ?        0.000000       13.11989 
1 1 1 13  10 10 o 387.0276 12.42287 4405.958       281.6122 4405.958       281.6122 0.000000       0.000000 387.0276 12.42287 ?        ?        0.000000       12.42287 
1 1 1 13  10 11 o 631.7241 22.96555 11806.57       849.4375 11806.57       849.4375 0.000000       0.000000 631.7241 22.96555 ?        ?        0.000000       22.96555 
1 1 1 13  10 12 o 532.6940 12.72826 8342.379       397.6468 8342.379       397.6468 0.000000       0.000000 532.6940 12.72826 ?        ?        0.000000       12.72826 
1 1 1 13  10 13 o 369.3250 9.794569 4009.311       211.9635 4144.940       276.6868 3816.641       329.7768 375.2369 12.59064 359.6613 15.67182 15.57559       20.10299 
1 1 1 13  10 14 o 357.2692 10.78491 3754.666       225.7175 4081.254       338.9339 3494.386       302.5766 371.8817 15.57479 344.1357 15.02808 27.74600       21.64295 
1 1 1 13  10 15 o 258.8749 11.83459 1975.061       179.2022 1805.787       256.8486 2135.615       250.1448 246.6908 17.87431 268.6823 15.94629 -21.99156      23.95361 
1 1 1 13  10 16 o 344.8168 9.768847 3497.133       197.3533 3652.443       292.6991 3367.670       267.2353 351.8102 14.21535 337.8988 13.51242 13.91141       19.61280 
1 1 1 13  10 17 o 151.8273 14.92662 686.3269       131.1948 939.3208       212.3378 530.1114       166.8531 176.7889 20.88218 131.8407 22.37842 44.94814       30.60815 
1 1 1 13  10 18 o 174.3281 17.81113 908.4661       179.5435 929.8152       220.4801 866.4399       309.3430 175.5513 21.88907 166.6219 32.82430 8.929443       39.45333 
1 1 1 13  10 19 o 394.2409 8.178217 4567.500       189.0910 4839.527       334.5064 4439.754       229.2299 404.7100 14.11482 388.3436 10.07329 16.36642       17.34068 
1 1 1 13  10 20 o 262.3863 8.824977 2026.618       135.6085 2351.903       257.5258 1901.813       159.5160 281.5745 15.65634 253.9316 10.73539 27.64285       18.98341 
1 1 1 13  10 21 o 463.0217 8.422182 6303.606       228.7054 6440.459       394.4279 6234.288       280.7133 466.5942 14.43113 460.1449 10.40202 6.449280       17.78931 
1 1 1 13  10 22 o 179.9934 10.44117 957.4674       109.7458 953.5649       203.4245 959.0695       130.3409 177.8399 19.84161 179.8533 12.43349 -2.013397      23.41541 
1 1 1 13  10 23 o 396.6745 8.005955 4627.061       186.2507 4818.331       326.2971 4534.625       226.8339 403.4471 13.81074 392.2854 9.867342 11.16171       16.97353 
1 1 1 13  10 24 o 104.5949 15.96921 331.6715       94.85875 339.6537       190.4564 329.0382       109.3923 104.1590 29.71955 103.5944 18.69293 0.5645599      35.10950 
1 1 1 13  10 25 o 31.94431 15.59086 -175.9697      95.58963 -241.2058      178.0600 -149.5568      113.3002 47.16267 22.58426 38.03651 18.15990 9.126160       28.97984 
1 1 1 13  10 26 o 379.3967 8.310805 4234.038       184.9214 4363.481       323.7584 4171.361       225.2856 383.6989 14.41294 376.1428 10.22193 7.556030       17.66977 
1 1 1 13  10 27 o 333.6598 7.917658 3273.728       154.9355 3467.929       242.3601 3139.511       201.4831 342.5704 12.08207 326.2287 10.54476 16.34171       16.03647 
1 1 1 13  10 28 o 80.99165 22.82079 202.4645       113.0124 19.49985       188.4776 305.1714       141.2135 66.38982 28.08376 98.74548 24.50144 -32.35566      37.26953 
1 1 1 13  10 29 o 408.0690 7.615458 4897.342       182.2553 5134.175       278.6199 4720.208       240.9583 416.9091 11.40587 400.0106 10.27969 16.89853       15.35467 
1 1 1 13  10 30 o 329.3707 7.914888 3192.281       152.8904 3330.414       235.1268 3091.091       201.2449 335.4643 11.97022 323.4880 10.62198 11.97632       16.00352 
1 1 1 13  10 31 o 113.2479 17.18040 391.2480       110.5302 237.7906       191.3668 468.0696       135.3986 89.79985 30.47119 123.5157 19.32434 -33.71586      36.08218 
1 1 1 13  10 32 f 153.2383 12.70498 700.9263       113.1550 681.0145       189.3270 711.9916       141.1364 148.3186 22.46822 153.7015 15.88573 -5.382935      27.51686 
1 1 1 13  10 33 o 70.80666 22.94217 149.5485       108.8078 171.8972       183.6941 137.4692       135.0485 80.62830 29.61695 71.29638 25.50536 9.331924       39.08564 
1 1 1 13  10 34 o 181.5988 12.08064 983.0431       127.9314 1106.804       208.8508 908.7177       161.8499 190.5795 18.93592 173.4660 16.09266 17.11351       24.85040 
1 1 1 13  10 35 o 120.0311 16.74257 441.5140       114.6573 408.3505       193.8045 459.3718       142.2155 111.4342 29.27939 121.1627 20.76022 -9.728539      35.89247 
1 1 1 13  10 36 o 156.3023 12.58146 734.2237       114.3576 548.3101       179.5627 861.0853       148.3289 130.5222 24.35301 168.4569 15.17620 -37.93468      28.69470 
1 1 1 13  10 37 o 46.24228 20.07360 -5.317348      101.0070 38.37309       166.9002 -30.56750      126.8807 62.47648 26.42781 49.21832 21.88657 13.25816       34.31401 
1 1 1 13  10 38 o 43.50524 19.43862 -30.76097      101.3318 -268.9573      166.3596 109.7443       127.7694 42.38449 20.66023 64.86938 24.52672 -22.48489      32.06876 
1 1 1 13  10 39 o 239.4496 8.759219 1706.008       122.7998 1737.013       198.1338 1686.669       156.4779 238.8329 14.20959 236.9567 11.29237 1.876282       18.15021 
1 1 1 13  10 40 o 170.5798 11.85061 880.4041       117.8176 827.6849       185.6349 915.9638       152.4595 160.8451 20.11766 172.3029 15.24442 -11.45781      25.24109 
1 1 1 13  10 41 o 66.34618 23.50483 135.3336       114.4312 70.43012       188.5683 173.1673       143.9708 66.34224 28.07833 73.72403 26.33891 -7.381790      38.49845 
1 1 1 13  10 42 o 107.4678 18.76113 374.3987       113.9467 676.0279       175.4871 154.5278       149.8277 143.1950 21.56469 71.16858 26.63411 72.02640       34.26969 
1 1 1 13  10 43 o 127.2891 15.74230 510.9811       115.0175 313.9114       178.7896 650.1219       150.2310 92.34692 29.35894 142.0061 18.47623 -49.65922      34.68888 
1 1 1 13  10 44 o 64.79295 23.65290 130.5246       116.8817 228.2411       193.9603 74.80758       146.4612 80.81462 30.29156 60.65161 25.14093 20.16301       39.36553 
1 1 1 13  10 45 o 93.27395 23.42545 305.0566       127.9517 431.7344       210.9937 231.3740       160.9169 104.7152 31.66936 80.28061 27.91689 24.43463       42.21730 
1 1 1 13  10 46 o 68.80884 26.11817 150.8399       145.2247 327.9341       242.5490 51.87394       181.3177 90.46831 33.88135 61.88597 26.87944 28.58234       43.24870 
1 1 1 13  10 47 o 89.43811 25.15424 291.4947       137.4371 491.2859       214.1215 151.5102       179.2306 110.7301 31.48478 70.54724 28.34566 40.18283       42.36469 
1 1 1 13  11 0  o 431.2272 12.85726 5467.824       324.8028 5252.526       420.0190 5788.093       512.2795 422.2105 16.99722 442.8828 19.77261 -20.67233      26.07416 
1 1 1 13  11 1  o 268.3176 13.25292 2120.414       207.9052 2103.730       250.4762 2157.368       372.7872 266.9821 16.07124 269.3527 23.84483 -2.370605      28.75518 
1 1 1 13  11 2  o 406.3834 13.02544 4856.943       310.0400 4711.792       395.4908 5088.375       499.3879 399.8555 16.90299 415.0723 20.57880 -15.21680      26.63077 
1 1 1 13  11 3  o 769.4933 18.69287 17432.24       843.5901 17154.85       1160.257 17743.33       1228.718 761.5017 26.01783 774.1799 27.10381 -12.67816      37.57051 
1 1 1 13  11 4  o 712.3353 17.71336 14933.50       740.0071 14390.94       996.9869 15599.12       1104.273 697.7273 24.40182 726.0771 25.97429 -28.34979      35.63864 
1 1 1 13  11 5  o 560.5335 15.17433 9245.223       498.3815 9490.356       688.3008 8975.062       722.5840 567.0842 20.73059 551.1569 22.40106 15.92731       30.52155 
1 1 1 13  11 6  o 739.3275 25.51459 16173.66       1104.650 16173.66       1104.650 0.000000       0.000000 739.3275 25.51459 ?        ?        0.000000       25.51459 
1 1 1 13  11 7  f 93.09682 31.01437 243.4356       198.3001 243.4356       198.3001 0.000000       0.000000 93.09682 31.01437 ?        ?        0.000000       31.01437 
1 1 1 13  11 8  o 616.1913 22.13131 11218.78       798.4859 11218.78       798.4859 0.000000       0.000000 616.1913 22.13131 ?        ?        0.000000       22.13131 
1 1 1 13  11 9  f 697.1049 14.98414 14293.54       612.6048 14293.54       612.6048 0.000000       0.000000 697.1049 14.98414 ?        ?        0.000000       14.98414 
1 1 1 13  11 10 o 275.8775 13.23979 2242.613       213.5887 2242.613       213.5887 0.000000       0.000000 275.8775 13.23979 ?        ?        0.000000       13.23979 
1 1 1 13  11 11 o 377.0608 11.85025 4182.535       261.7278 4182.535       261.7278 0.000000       0.000000 377.0608 11.85025 ?        ?        0.000000       11.85025 
1 1 1 13  11 12 o 451.1237 18.86682 6015.164       498.0641 6015.164       498.0641 0.000000       0.000000 451.1237 18.86682 ?        ?        0.000000       18.86682 
1 1 1 13  11 13 f 412.8141 9.353981 5005.553       226.4653 5128.354       295.2468 4830.044       352.9681 417.4433 12.07240 404.7257 14.89586 12.71765       19.17367 
1 1 1 13  11 14 o 122.9289 20.06893 458.1251       139.6993 745.5311       180.1034 24.03852       221.3412 157.5778 19.93370 72.67720 30.57171 84.90059       36.49633 
1 1 1 13  11 15 o 499.3788 15.32101 7358.858       448.1814 7358.858       448.1814 0.000000       0.000000 499.3788 15.32101 ?        ?        0.000000       15.32101 
1 1 1 13  11 16 o 213.5016 11.69488 1345.296       145.8766 1401.360       217.2677 1299.277       196.8425 217.1261 17.20260 209.1879 16.17016 7.938171       23.60939 
1 1 1 13  11 17 o 307.6029 9.358037 2784.019       168.6244 2733.411       258.5653 2821.471       222.4342 304.0633 14.54174 309.2906 12.28710 -5.227295      19.03773 
1 1 1 13  11 18 o 494.9929 8.650034 7201.669       251.1119 7429.222       443.9826 7094.638       304.4936 501.3292 15.11781 491.0178 10.57378 10.31137       18.44867 
1 1 1 13  11 19 o 456.4068 8.496888 6123.392       227.4377 6320.264       405.1234 6032.787       274.8352 462.2590 14.96318 452.7488 10.35058 9.510162       18.19427 
1 1 1 13  11 20 o 133.8279 14.15321 534.8256       109.4030 572.6515       223.0000 522.8357       125.5505 135.2395 28.98705 131.8534 16.60322 3.386139       33.40533 
1 1 1 13  11 21 o 346.3244 8.008380 3526.127       162.6591 3780.106       302.1909 3422.525       193.0042 357.2670 14.45225 340.8648 9.664348 16.40213       17.38583 
1 1 1 13  11 22 f 120.1960 14.21266 433.1004       98.25208 532.9064       201.4270 401.9395       112.5496 130.4879 27.20344 115.1349 17.19419 15.35302       32.18178 
1 1 1 13  11 23 o 504.8916 8.635103 7500.079       255.6914 7707.149       449.1688 7400.810       310.9991 509.8762 15.03727 501.1206 10.58197 8.755646       18.38743 
1 1 1 13  11 24 o 164.6519 10.94069 802.7869       105.0489 541.9885       207.1778 893.0414       121.8780 131.3608 27.76252 173.5277 12.05071 -42.16690      30.26512 
1 1 1 13  11 25 o 379.4980 7.863973 4235.045       175.0258 4683.580       321.3499 4045.866       208.6973 397.6992 13.79848 370.5459 9.611502 27.15335       16.81604 
1 1 1 13  11 26 o 276.7210 8.924523 2255.790       144.6470 2113.719       257.0594 2321.616       174.9772 266.3592 16.53723 280.4622 10.65731 -14.10300      19.67379 
1 1 1 13  11 27 o 229.1428 9.954988 1549.501       133.4628 1698.673       245.8736 1487.188       158.9116 238.3591 17.71519 224.1316 12.13458 14.22751       21.47268 
1 1 1 13  11 28 o 186.4245 11.35414 1029.157       123.5502 912.0631       227.7686 1077.975       147.0667 172.7665 23.05426 190.4819 13.24722 -17.71544      26.58924 
1 1 1 13  11 29 o 292.0718 8.510490 2513.183       145.6234 2675.554       235.9757 2413.316       185.0655 300.3412 13.43080 285.7440 11.06418 14.59711       17.40122 
1 1 1 13  11 30 o 56.14837 22.02131 58.40498       105.7118 -220.0043      197.9508 169.4821       125.0338 51.75485 24.50597 75.66991 24.59915 -23.91505      34.72262 
1 1 1 13  11 31 o 344.0624 7.942793 3485.832       160.2733 3694.311       255.8611 3351.199       205.6114 352.9435 12.38002 336.6891 10.42537 16.25443       16.18497 
1 1 1 13  11 32 o 224.9592 9.402227 1495.991       123.7732 1610.879       204.5759 1429.653       155.4533 232.0087 15.11719 219.3172 12.13312 12.69147       19.38407 
1 1 1 13  11 33 o 42.32215 19.24555 -58.93681      104.4793 -92.68193      181.2816 -42.15285      127.8484 55.77146 25.35731 49.16995 21.91095 6.601513       33.51243 
1 1 1 13  11 34 o 283.0096 8.824740 2367.094       146.2927 2564.328       232.6358 2238.079       188.1510 293.0407 13.57311 274.3635 11.72010 18.67728       17.93293 
1 1 1 13  11 35 o 100.4747 19.84120 317.6577       112.7660 59.47501       191.4773 454.7540       139.5297 68.84633 28.65949 120.4879 20.47782 -51.64154      35.22368 
1 1 1 13  11 36 o 109.7061 18.00392 375.6354       111.8226 183.5231       176.5815 504.2569       144.4855 79.73442 29.07794 126.6226 20.12941 -46.88815      35.36552 
1 1 1 13  11 37 o 77.59957 22.85390 194.7535       111.0101 335.1378       171.2433 92.99563       145.7936 99.54420 28.10649 65.13754 25.76452 34.40666       38.12854 
1 1 1 13  11 38 o 60.48309 21.85306 102.3917       99.42225 -146.3984      161.3442 254.6932       126.2376 47.40749 22.34971 87.59982 23.90868 -40.19233      32.72820 
1 1 1 13  11 39 o 64.93927 21.54758 130.9690       95.73964 212.3112       163.6379 88.63317       118.0539 80.96960 28.15219 60.44722 23.39467 20.52237       36.60405 
1 1 1 13  11 40 o 93.05020 19.49875 281.8159       102.9975 -46.01819      168.4624 477.5168       130.1584 54.56446 24.66297 122.2232 18.75606 -67.65869      30.98470 
1 1 1 13  11 41 o 158.6217 12.51190 767.5052       115.4536 682.7742       180.4827 826.1935       150.2071 143.9118 22.08848 162.7008 15.94622 -18.78900      27.24303 
1 1 1 13  11 42 o 52.69454 22.19698 34.67965       116.9426 68.44576       190.9123 14.40161       147.9471 65.86829 28.07895 55.58286 24.20935 10.28543       37.07452 
1 1 1 13  11 43 f 83.35355 23.49483 240.7346       119.7644 177.0137       196.8340 278.1927       150.9149 75.91045 29.96446 88.06734 26.81473 -12.15689      40.21067 
1 1 1 13  11 44 o 51.86165 22.27703 24.14977       121.8460 52.15317       204.1253 8.648644       151.8704 64.95876 28.36234 55.03536 24.23343 9.923397       37.30524 
1 1 1 13  11 45 o 121.3484 18.92420 484.4287       130.2873 320.2523       202.1160 601.1505       170.4203 90.84765 31.30240 132.4151 22.76535 -41.56745      38.70531 
1 1 1 13  11 46 o 95.03683 25.35859 327.5575       143.9588 300.1488       241.8055 342.6061       179.1721 87.62229 33.59407 94.43909 29.30258 -6.816803      44.57805 
1 1 1 13  12 0  o 846.2968 20.11838 21102.70       998.5419 20589.45       1370.338 21683.74       1458.041 833.6077 28.06955 855.1651 29.11408 -21.55737      40.44168 
1 1 1 13  12 1  o 743.6653 18.04832 16279.81       787.1633 16367.88       1100.172 16187.45       1126.737 743.8866 25.25420 739.5751 26.01757 4.311523       36.25864 
1 1 1 13  12 2  o 450.4008 13.22179 5966.181       348.8747 6140.551       467.1747 5746.340       524.5638 456.4438 17.48418 441.1261 20.33080 15.31772       26.81488 
1 1 1 13  12 3  o 123.2771 21.39285 460.8278       149.0624 616.4655       172.8156 8.516572       294.6078 143.0766 21.23867 82.37962 34.99064 60.69697       40.93197 
1 1 1 13  12 4  o 452.8185 13.42229 6031.283       356.0588 6157.221       473.5853 5867.537       540.0154 457.0089 17.70293 445.6696 20.71727 11.33923       27.25068 
1 1 1 13  12 5  o 796.9906 14.08475 18672.89       658.3439 18347.88       756.7525 19684.41       1335.049 789.6838 16.33993 814.8393 27.97817 -25.15552      32.40018 
1 1 1 13  12 6  o 763.4186 13.70610 17131.65       613.6592 16658.02       699.9789 18704.55       1275.614 752.4829 15.86126 794.3528 27.42250 -41.86987      31.67923 
1 1 1 13  12 7  o 489.4606 12.85613 7045.464       368.7248 7045.464       368.7248 0.000000       0.000000 489.4606 12.85613 ?        ?        0.000000       12.85613 
1 1 1 13  12 8  o 205.3158 15.57743 1247.410       186.1726 1247.410       186.1726 0.000000       0.000000 205.3158 15.57743 ?        ?        0.000000       15.57743 
1 1 1 13  12 9  o 245.9609 14.11201 1785.114       202.7117 1785.114       202.7117 0.000000       0.000000 245.9609 14.11201 ?        ?        0.000000       14.11201 
1 1 1 13  12 10 o 246.6124 14.20013 1795.132       204.5114 1795.132       204.5114 0.000000       0.000000 246.6124 14.20013 ?        ?        0.000000       14.20013 
1 1 1 13  12 11 o 458.6881 18.48464 6216.774       496.2365 6216.774       496.2365 0.000000       0.000000 458.6881 18.48464 ?        ?        0.000000       18.48464 
1 1 1 13  12 12 o 183.6311 16.42417 1001.723       175.0150 1001.723       175.0150 0.000000       0.000000 183.6311 16.42417 ?        ?        0.000000       16.42417 
1 1 1 13  12 13 o 325.6539 9.334422 3117.996       178.0926 3119.302       225.6208 3115.837       290.0767 325.4622 11.84002 324.8277 15.26956 0.6344604      19.32215 
1 1 1 13  12 14 o 368.0198 10.24627 3984.126       220.9350 4362.727       338.7278 3703.798       291.4694 384.4370 15.05274 354.3263 14.05405 30.11063       20.59371 
1 1 1 13  12 15 o 452.0645 14.78973 6031.952       391.5853 6031.952       391.5853 0.000000       0.000000 452.0645 14.78973 ?        ?        0.000000       14.78973 
1 1 1 13  12 16 o 450.2987 9.740751 5961.619       257.2430 5887.726       373.4346 6028.347       354.8683 446.6025 14.27582 452.0870 13.39905 -5.484467      19.57891 
1 1 1 13  12 17 o 435.0590 9.536858 5565.759       243.3347 5772.104       376.7388 5418.055       318.7411 442.0013 14.55321 428.6035 12.69436 13.39774       19.31172 
1 1 1 13  12 18 o 336.1061 9.058414 3324.117       178.3951 3344.259       285.0908 3311.154       228.7044 336.2221 14.49197 335.0706 11.65600 1.151520       18.59784 
1 1 1 13  12 19 o 243.7554 9.013035 1749.792       128.6255 1674.790       241.5230 1779.486       151.9692 237.0569 17.49550 245.6217 10.57443 -8.564819      20.44287 
1 1 1 13  12 20 o 49.74136 20.74608 16.30942       100.6147 -84.44894      204.0207 48.68945       115.6571 61.17405 27.43902 56.94223 22.80759 4.231819       35.68033 
1 1 1 13  12 21 o 272.8655 8.214707 2191.506       131.3096 2417.413       247.4828 2102.991       154.9130 285.4239 14.83533 267.0645 9.907742 18.35934       17.83958 
1 1 1 13  12 22 o 403.0080 8.266453 4777.010       195.3815 4799.165       339.3628 4766.026       238.9579 402.4613 14.40092 402.1132 10.14073 0.3481140      17.61309 
1 1 1 13  12 23 o 54.72575 20.73552 64.95600       91.43651 -136.6576      196.6684 120.5543       103.2774 56.36401 25.92068 65.75774 22.38406 -9.393723      34.24804 
1 1 1 13  12 24 o 168.9296 10.43771 844.1483       102.9047 923.6049       212.8674 819.9167       117.5532 174.4785 21.23966 166.2209 12.14241 8.257599       24.46551 
1 1 1 13  12 25 o 177.1486 10.77452 928.4146       111.4109 922.0638       213.7531 930.7833       130.5453 174.3226 21.35315 177.0806 12.65352 -2.758011      24.82073 
1 1 1 13  12 26 o 303.1385 8.729959 2706.082       155.0427 3219.166       295.6177 2511.397       182.0971 329.2480 15.35161 291.7145 10.66168 37.53351       18.69073 
1 1 1 13  12 27 o 227.7392 10.08470 1531.017       134.3610 1547.847       242.7404 1523.583       161.3291 227.2695 18.36807 226.8425 12.17113 0.4270020      22.03458 
1 1 1 13  12 28 o 43.46499 19.73766 -62.39618      109.4166 -44.61550      223.0948 -68.02777      125.5541 66.77029 29.38704 46.78117 21.20372 19.98911       36.23804 
1 1 1 13  12 29 o 355.3981 8.641382 3719.111       180.1145 3556.989       302.5195 3808.137       224.1783 345.8417 14.95039 359.0877 10.65671 -13.24606      18.35973 
1 1 1 13  12 30 o 246.7086 8.971762 1796.124       129.5951 2039.659       228.7354 1680.989       157.2734 261.4950 14.97752 238.2170 11.28936 23.27803       18.75569 
1 1 1 13  12 31 o 100.1162 19.90627 311.8300       112.7647 216.3893       217.4691 346.9290       131.8795 88.91315 32.29253 105.1860 22.08263 -16.27280      39.12096 
1 1 1 13  12 32 o 215.9552 9.958708 1380.514       125.7901 1416.824       206.5164 1359.097       158.6076 217.0864 16.34072 213.6393 12.71633 3.447098       20.70565 
1 1 1 13  12 33 o 68.87030 22.87092 139.4604       107.8549 287.9832       188.1511 66.77010       131.6281 95.49937 30.08737 61.27312 24.40178 34.22625       38.73882 
1 1 1 13  12 34 o 120.8876 17.16894 448.3160       118.3046 213.6550       198.8316 576.9206       147.1950 86.14240 30.93212 136.8573 18.83818 -50.71495      36.21703 
1 1 1 13  12 35 o 93.63836 19.25044 276.6178       102.1828 317.0744       184.9267 258.8366       122.5987 98.18574 29.63870 89.63090 23.15832 8.554840       37.61330 
1 1 1 13  12 36 o 156.0684 12.48161 733.6003       113.2932 664.8630       182.1623 776.9597       144.6786 144.5119 22.20251 159.4622 15.67248 -14.95030      27.17679 
1 1 1 13  12 37 o 105.3227 18.32388 350.4500       109.0770 323.7281       176.9518 366.8263       138.5254 97.51099 28.88941 105.8706 22.97170 -8.359573      36.90931 
1 1 1 13  12 38 o 125.7052 14.49112 485.5876       104.8802 483.0869       176.0755 486.9628       130.5714 119.8914 25.80627 124.1724 18.49301 -4.281029      31.74831 
1 1 1 13  12 39 o 51.84253 21.00920 47.01479       99.39352 136.2007       173.5048 3.450858       121.2626 72.06710 28.22775 50.76762 22.01650 21.29948       35.79850 
1 1 1 13  12 40 o 103.4189 18.45267 344.1031       107.8145 164.0157       188.7538 431.3107       131.3503 75.60290 29.49166 115.1387 20.18740 -39.53579      35.73918 
1 1 1 13  12 41 f 39.35422 18.54429 -101.1861      110.8408 -573.8438      198.8110 111.9895       133.5167 37.85072 19.09219 64.47619 24.89965 -26.62547      31.37681 
1 1 1 13  12 42 o 154.4064 13.84282 737.1307       124.0259 645.5816       214.5282 783.0919       152.0033 134.2758 28.14342 157.3722 16.72511 -23.09644      32.73808 
1 1 1 13  12 43 o 98.98649 20.92906 329.6456       117.6957 644.6528       199.8588 162.4033       145.6251 135.1755 26.15583 71.15855 26.32944 64.01691       37.11290 
1 1 1 13  12 44 o 90.37235 22.59416 282.9287       119.4217 421.4214       190.1822 192.7726       153.4455 105.4836 29.56253 75.16111 27.14965 30.32246       40.13784 
1 1 1 13  12 45 o 146.6421 15.45231 681.1818       130.8978 651.4329       227.4549 695.9132       160.0591 130.5270 30.29755 145.3938 19.24284 -14.86684      35.89190 
1 1 1 13  12 46 o 119.3730 19.16302 472.2390       129.6206 469.9323       228.6133 473.3318       157.3587 106.9472 33.08549 115.9287 23.93784 -8.981529      40.83711 
1 1 1 13  13 0  o 265.5504 11.24159 2074.832       174.6794 1856.813       208.5932 2586.625       319.5951 250.9144 14.23341 295.7866 18.51634 -44.87225      23.35476 
1 1 1 13  13 1  o 435.7595 12.59688 5584.067       321.5914 5747.493       434.1262 5385.327       478.7374 441.6124 16.79253 427.1242 19.16018 14.48813       25.47747 
1 1 1 13  13 2  o 297.1259 11.58951 2597.197       201.5683 2577.148       248.2670 2635.975       345.2727 295.7194 14.35782 298.4191 19.84077 -2.699768      24.49088 
1 1 1 13  13 3  o 215.3915 12.73312 1368.026       160.1297 1511.872       189.1360 1003.949       300.8996 226.3132 14.32345 181.8226 29.20657 44.49060       32.52975 
1 1 1 13  13 4  o 357.7387 12.05744 3764.223       252.6100 3937.891       327.7523 3510.104       396.4646 365.5716 15.32098 344.5427 19.70268 21.02890       24.95852 
1 1 1 13  13 5  o 466.4295 13.16413 6399.581       359.7444 6387.970       479.9562 6414.468       543.4501 465.4318 17.61487 466.0345 19.92944 -0.6027222     26.59824 
1 1 1 13  13 6  o 379.3201 10.34666 4228.716       229.9592 4159.271       268.7451 4418.575       444.3578 376.0244 12.20252 386.6342 19.66121 -10.60983      23.14011 
1 1 1 13  13 7  o 680.8392 14.82589 13637.20       591.9921 13637.20       591.9921 0.000000       0.000000 680.8392 14.82589 ?        ?        0.000000       14.82589 
1 1 1 13  13 8  o 505.1866 12.79095 7507.976       378.6654 7507.976       378.6654 0.000000       0.000000 505.1866 12.79095 ?        ?        0.000000       12.79095 
1 1 1 13  13 9  o 179.9483 15.85788 960.8870       165.6464 960.8870       165.6464 0.000000       0.000000 179.9483 15.85788 ?        ?        0.000000       15.85788 
1 1 1 13  13 10 o 368.9024 11.87172 4004.997       256.5132 4004.997       256.5132 0.000000       0.000000 368.9024 11.87172 ?        ?        0.000000       11.87172 
1 1 1 13  13 11 o 383.1443 11.53355 4319.801       258.8696 4319.801       258.8696 0.000000       0.000000 383.1443 11.53355 ?        ?        0.000000       11.53355 
1 1 1 13  13 12 f 200.8476 14.66653 1194.531       171.5697 1194.531       171.5697 0.000000       0.000000 200.8476 14.66653 ?        ?        0.000000       14.66653 
1 1 1 13  13 13 f 395.1021 15.14999 4608.372       350.4021 4608.372       350.4021 0.000000       0.000000 395.1021 15.14999 ?        ?        0.000000       15.14999 
1 1 1 13  13 14 o 351.5208 10.54040 3636.823       217.0540 3652.819       346.8574 3626.527       278.2724 351.2871 16.88542 350.6011 13.55894 0.6860352      21.65554 
1 1 1 13  13 15 o 281.2595 10.45480 2329.907       172.1540 2169.933       284.4222 2422.402       216.2696 270.2275 18.05014 286.4719 12.90564 -16.24435      22.18926 
1 1 1 13  13 16 o 179.3525 12.57956 952.3807       131.4803 870.7686       239.9636 987.3930       157.1730 169.0258 24.95672 182.3026 14.82853 -13.27675      29.02970 
1 1 1 13  13 17 o 70.67638 22.88567 144.7999       108.2826 365.9656       203.1368 57.01235       127.9812 108.5182 30.60241 60.32109 24.04858 48.19715       38.92096 
1 1 1 13  13 18 o 605.1511 11.30645 10787.44       401.2738 11092.24       601.5183 10543.02       538.6465 611.7550 16.78152 596.9091 15.39955 14.84589       22.77642 
1 1 1 13  13 19 f 416.7380 8.407182 5106.430       205.4774 5248.371       366.4751 5041.350       248.1525 421.0315 14.86488 413.8069 10.22517 7.224518       18.04213 
1 1 1 13  13 20 o 376.8261 8.224920 4175.581       181.7704 4449.205       336.8217 4063.146       215.9100 387.4803 14.84925 371.3514 9.922622 16.12888       17.85941 
1 1 1 13  13 21 o 145.9853 11.63504 632.5578       98.79193 663.8448       205.1377 623.1104       112.7250 146.6617 24.72801 144.5909 13.44732 2.070786       28.14791 
1 1 1 13  13 22 o 228.4010 8.577218 1537.002       114.6892 1578.381       225.6791 1522.595       133.1674 229.9288 16.85290 227.1302 10.02173 2.798599       19.60753 
1 1 1 13  13 23 o 94.35725 16.71147 272.0088       89.09412 202.9586       195.9983 289.9926       100.0256 86.53311 30.75133 97.19250 18.21717 -10.65939      35.74226 
1 1 1 13  13 24 o 34.49808 16.42291 -116.1842      91.28463 -301.3981      211.6833 -73.87346      101.1754 50.66468 24.35612 40.44355 18.59641 10.22114       30.64387 
1 1 1 13  13 25 o 73.18187 29.78661 73.11961       200.8135 132.4303       232.1930 -102.9072      400.0112 82.80569 32.58825 87.04636 38.77518 -4.240662      50.65085 
1 1 1 13  13 26 o 176.1738 12.25663 920.7209       125.8479 699.4279       241.7333 1002.998       147.3979 149.3964 28.63142 183.6429 13.78633 -34.24649      31.77768 
1 1 1 13  13 27 o 128.8775 14.88735 498.5793       110.4578 402.3971       208.3834 536.1645       130.2639 112.7100 30.69989 133.2482 17.05996 -20.53812      35.12158 
1 1 1 13  13 28 o 173.2332 11.86136 890.6174       119.7809 789.7944       236.6059 925.3613       138.8944 159.3719 26.22557 176.2830 13.53818 -16.91113      29.51378 
1 1 1 13  13 29 o 53.59273 21.59829 41.63561       104.3961 53.96325       233.4158 38.55301       116.7211 75.49493 31.55136 55.57837 22.67619 19.91656       38.85483 
1 1 1 13  13 30 o 263.7550 9.139134 2053.642       141.1561 2312.770       272.3186 1958.439       165.0622 277.7814 16.79411 257.1820 10.96870 20.59940       20.05878 
1 1 1 13  13 31 o 98.92825 18.38153 302.7162       102.7231 278.4498       192.2165 312.4173       121.5338 94.77646 30.47429 99.80544 21.40518 -5.028976      37.24062 
1 1 1 13  13 32 o 36.89403 17.62094 -139.0494      106.8830 -331.5501      221.1143 -80.35535      122.0949 50.53035 24.44036 44.72237 20.51397 5.807972       31.90853 
1 1 1 13  13 33 o 134.6232 14.90341 547.8843       115.6992 875.8738       209.9856 404.9050       138.6425 168.1657 21.80408 113.5375 21.61044 54.62818       30.69901 
1 1 1 13  13 34 f 69.95964 23.48831 145.0011       113.7065 43.01358       197.4323 195.6190       139.0902 68.29812 28.80952 79.69445 25.94774 -11.39633      38.77207 
1 1 1 13  13 35 o 111.8246 16.52847 386.1655       105.1360 192.0734       186.7415 476.2377       127.2132 81.64232 29.88251 123.8606 18.04236 -42.21831      34.90690 
1 1 1 13  13 36 o 54.69329 21.47907 62.08850       100.6837 39.87580       177.8276 72.56885       122.1480 64.10830 27.20566 59.46479 23.56314 4.643505       35.99124 
1 1 1 13  13 37 o 45.98576 20.37947 -22.86795      109.0745 -229.7164      188.6815 80.95340       133.6739 48.07202 23.07987 61.83329 24.60188 -13.76127      33.73325 
1 1 1 13  13 38 o 76.74103 22.79898 192.9604       110.0845 36.93692       193.5806 267.5334       133.8313 65.17243 28.03798 89.26952 24.71816 -24.09709      37.37801 
1 1 1 13  13 39 f 70.26359 23.00867 158.5563       109.2897 -203.5822      195.4464 323.3044       131.8259 49.91080 23.83519 98.19535 23.25224 -48.28455      33.29839 
1 1 1 13  13 40 o 243.0177 9.472863 1768.187       134.7526 1800.101       228.1437 1751.089       166.9942 240.4619 16.27337 240.4293 11.87984 0.3260803E-01  20.14828 
1 1 1 13  13 41 o 191.1653 10.64539 1103.166       118.8782 1119.353       202.2570 1094.622       146.9380 187.1815 18.67316 188.8911 13.34993 -1.709549      22.95447 
1 1 1 13  13 42 o 97.20866 20.48849 315.3431       113.1174 380.3889       200.1094 284.7981       137.1285 100.2708 30.94295 89.95657 25.06326 10.31427       39.82001 
1 1 1 13  13 43 o 158.7656 13.25402 779.1322       122.2863 914.2243       215.6257 715.0825       148.4718 164.1841 23.02535 149.4562 17.25514 14.72789       28.77337 
1 1 1 13  13 44 o 73.76629 23.17873 187.7563       111.7365 311.9485       205.3382 135.5120       133.1810 90.04226 31.52079 66.37509 25.05306 23.66717       40.26433 
1 1 1 13  13 45 o 73.79533 23.49379 189.8447       114.4570 202.8773       119.0709 31.38702       415.1895 75.93875 23.93638 78.25090 36.55799 -2.312149      43.69711 
1 1 1 13  13 46 f 88.77511 22.96600 278.5746       120.4688 300.6432       125.2383 5.279805       440.7232 92.14357 23.19488 77.88257 36.78409 14.26100       43.48645 
1 1 1 13  14 0  o 527.1208 13.64948 8173.989       421.6103 7602.565       552.6651 8969.500       652.0876 507.6443 18.59458 551.1618 20.20748 -43.51749      27.46090 
1 1 1 13  14 1  o 206.8899 11.38179 1261.178       137.5701 1261.734       162.9594 1259.798       256.6456 206.7337 13.51467 205.5018 21.61789 1.231857       25.49469 
1 1 1 13  14 2  o 355.7386 11.40587 3721.458       237.6557 3928.701       313.7858 3442.642       363.9600 365.1871 14.68093 341.3660 18.24582 23.82108       23.41879 
1 1 1 13  14 3  o 320.9799 11.30272 3030.405       212.4384 2889.902       261.2539 3304.623       364.9799 313.1537 14.26253 334.3548 18.68711 -21.20117      23.50804 
1 1 1 13  14 4  o 197.6435 11.44529 1151.499       132.0986 1168.715       147.4742 1081.610       297.1329 199.0010 12.70234 189.0832 27.60866 9.917725       30.39058 
1 1 1 13  14 5  o 361.0838 10.12363 3832.250       214.1736 3821.136       249.6663 3863.215       416.7469 360.4055 11.82787 361.3640 19.73919 -0.9584961     23.01161 
1 1 1 13  14 6  o 470.1599 10.27922 6492.996       283.4368 6403.819       330.0413 6743.569       553.2368 466.6161 12.07043 477.6547 19.79194 -11.03857      23.18224 
1 1 1 13  14 7  o 162.1129 14.67329 779.6999       137.9977 779.6999       137.9977 0.000000       0.000000 162.1129 14.67329 ?        ?        0.000000       14.67329 
1 1 1 13  14 8  o 313.6256 14.60200 2901.531       267.8432 2901.531       267.8432 0.000000       0.000000 313.6256 14.60200 ?        ?        0.000000       14.60200 
1 1 1 13  14 9  o 96.04749 23.36849 284.1424       130.3614 284.1424       130.3614 0.000000       0.000000 96.04749 23.36849 ?        ?        0.000000       23.36849 
1 1 1 13  14 10 o 181.9421 14.80177 981.3711       156.5787 981.3711       156.5787 0.000000       0.000000 181.9421 14.80177 ?        ?        0.000000       14.80177 
1 1 1 13  14 11 o 690.4906 14.46291 14044.51       585.6848 14044.51       585.6848 0.000000       0.000000 690.4906 14.46291 ?        ?        0.000000       14.46291 
1 1 1 13  14 12 o 204.7793 22.38641 1258.387       264.4818 1258.387       264.4818 0.000000       0.000000 204.7793 22.38641 ?        ?        0.000000       22.38641 
1 1 1 13  14 13 o 127.3168 18.10397 488.6464       131.3737 364.5595       177.9632 637.2476       194.7505 108.3959 27.84756 144.5584 23.79870 -36.16251      36.63147 
1 1 1 13  14 14 f 397.9662 8.485329 4653.550       198.0457 4519.372       251.1409 4874.214       322.0636 391.7756 10.94095 406.4428 13.52998 -14.66721      17.40014 
1 1 1 13  14 15 o 392.8477 10.16908 4542.781       234.0945 4191.402       375.8221 4765.539       299.2342 376.0225 17.08654 401.9455 12.70983 -25.92294      21.29530 
1 1 1 13  14 16 o 111.3107 14.61366 372.0125       93.09763 339.8948       152.4354 391.1189       117.5720 104.5332 25.16794 113.4807 18.28711 -8.947563      31.11018 
1 1 1 13  14 17 o 66.07397 22.74724 119.1560       106.7264 64.16965       218.0315 136.4830       122.3922 75.11075 30.85835 70.64089 24.35792 4.469856       39.31343 
1 1 1 13  14 18 o 481.8750 8.502826 6827.766       240.2969 7167.374       439.6232 6683.071       286.9575 491.9935 15.25442 476.4429 10.26966 15.55057       18.38922 
1 1 1 13  14 19 o 172.1086 10.85428 876.2068       109.0025 891.9001       222.6663 871.2607       125.0051 171.2038 22.73805 171.3744 12.52391 -0.1706085     25.95895 
1 1 1 13  14 20 o 211.8895 9.082511 1323.676       112.6046 1217.698       227.5407 1358.049       129.5851 201.2212 19.52642 214.4599 10.33328 -13.23865      22.09203 
1 1 1 13  14 21 o 167.5690 9.834873 829.7955       96.22755 801.6225       209.5920 837.3202       108.3186 162.0138 22.67867 168.1614 11.04426 -6.147644      25.22494 
1 1 1 13  14 22 o 190.8288 9.496786 1074.896       105.9508 1077.953       236.1165 1074.125       118.5569 188.5232 21.75407 190.5998 10.64839 -2.076538      24.22040 
1 1 1 13  14 23 f 41.42780 18.15755 -18.96917      84.36837 -348.7314      210.9305 43.83591       92.05264 48.59149 23.58940 51.57518 20.44948 -2.983692      31.21924 
1 1 1 13  14 24 o 235.2849 9.230557 1632.076       127.1244 1351.723       243.8881 1736.660       148.9606 211.9411 19.85222 242.5307 10.49745 -30.58955      22.45679 
1 1 1 13  14 25 o 247.0625 9.316949 1799.474       134.7573 1886.467       272.1180 1771.208       155.1128 251.0206 18.61657 244.8834 10.82711 6.137222       21.53609 
1 1 1 13  14 26 o 35.74480 17.14421 -146.5416      103.5248 -174.2740      230.3529 -139.5227      115.8875 60.01135 27.76012 39.29575 18.64860 20.71560       33.44241 
1 1 1 13  14 27 o 375.8346 8.650842 4157.882       190.6802 3925.870       329.0167 4275.219       233.9807 363.3616 15.47476 380.6175 10.49193 -17.25592      18.69622 
1 1 1 13  14 28 o 205.2872 10.01847 1245.618       120.2543 1457.324       247.8379 1180.428       137.5284 219.8249 19.42349 199.5204 11.80593 20.30441       22.72998 
1 1 1 13  14 29 o 128.9983 15.26277 501.6969       113.2355 596.9432       246.7822 476.2956       127.4436 135.9847 31.55447 125.0051 17.89334 10.97961       36.27473 
1 1 1 13  14 30 o 327.3701 8.568630 3160.774       164.3718 3207.573       292.9763 3139.277       198.5676 327.7538 15.28382 325.8117 10.40515 1.942017       18.48952 
1 1 1 13  14 31 o 80.36090 21.91118 202.5911       106.0865 70.20927       214.3725 245.5254       122.0835 73.76662 30.48168 88.15297 23.27489 -14.38634      38.35170 
1 1 1 13  14 32 o 76.56691 22.09142 183.0879       104.6745 254.9236       238.3950 165.9308       116.5060 94.01868 33.85626 74.03139 23.71764 19.98729       41.33731 
1 1 1 13  14 33 o 152.9697 12.54914 700.6620       111.5933 534.7039       210.0164 765.9524       131.7281 128.0192 28.68479 159.5269 14.22892 -31.50769      32.01998 
1 1 1 13  14 34 o 126.9398 14.69198 489.6798       107.3608 703.3687       237.9317 435.0488       120.3043 146.3648 28.74439 118.5611 17.85522 27.80371       33.83857 
1 1 1 13  14 35 o 298.9572 8.253742 2646.406       144.5755 2577.614       230.2650 2691.173       185.7529 292.7132 13.44922 300.5586 10.55432 -7.845398      17.09606 
1 1 1 13  14 36 o 39.14619 18.17920 -77.47136      100.2510 13.85681       187.1807 -114.2064      118.7131 63.01367 27.34031 40.81126 19.21873 22.20241       33.41934 
1 1 1 13  14 37 o 71.42205 22.55663 163.2011       105.6916 136.5834       193.6487 174.4943       126.1354 74.51366 29.62272 74.14152 24.73630 0.3721466      38.59262 
1 1 1 13  14 38 o 89.14259 20.26278 259.2238       103.5244 77.95411       197.0854 328.2975       121.6601 68.86052 28.89978 100.0830 21.37673 -31.22252      35.94666 
1 1 1 13  14 39 o 41.43348 18.79088 -42.25178      98.78115 -309.8255      185.0389 64.39564       116.8198 43.56684 21.35367 56.66229 22.84310 -13.09545      31.26958 
1 1 1 13  14 40 o 51.96869 21.19691 47.72900       101.9512 -44.09233      185.9290 87.20669       121.9133 56.98422 25.81819 60.03294 23.61737 -3.048721      34.99085 
1 1 1 13  14 41 o 186.1896 10.95500 1049.244       119.0953 962.2520       202.3414 1095.356       147.3160 171.8257 20.48195 188.8187 13.39001 -16.99300      24.47044 
1 1 1 13  14 42 o 65.85052 22.93230 139.1642       108.6037 149.5005       212.7149 135.5199       126.3065 74.20688 30.48262 66.38796 24.52872 7.818916       39.12606 
1 1 1 13  14 43 o 112.9736 18.24487 416.0563       116.7660 451.9146       121.1054 -57.59077      440.1454 117.9217 18.08768 77.74672 36.73199 40.17499       40.94391 
1 1 1 13  14 44 o 86.48621 21.52646 257.6523       108.7542 299.2615       112.3939 -353.7664      430.8410 93.68369 20.97915 67.56982 33.00467 26.11388       39.10797 
1 1 1 13  14 45 o 142.4085 15.02060 640.9514       123.5633 589.4053       128.9402 1220.614       432.3929 135.4743 16.57331 156.5661 44.81458 -21.09177      47.78098 
1 1 1 13  15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  15 1  o 469.8620 12.66039 6494.758       348.5555 6791.098       487.4525 6184.710       498.6003 479.7981 17.35158 457.6370 18.61608 22.16104       25.44869 
1 1 1 13  15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  15 3  o 290.6523 9.651788 2483.726       164.2969 2593.157       192.2462 2187.302       316.4066 296.8738 11.06102 271.5067 20.01137 25.36710       22.86485 
1 1 1 13  15 4  o 483.4227 13.14873 6877.859       372.4413 7136.403       509.8692 6582.089       545.3414 491.7122 17.70954 471.8243 19.75146 19.88785       26.52825 
1 1 1 13  15 5  o 411.8618 9.907801 4982.742       239.3202 5021.420       282.6594 4884.817       449.7545 413.1559 11.67709 406.4427 18.91991 6.713196       22.23325 
1 1 1 13  15 6  o 136.9319 13.18530 556.6306       104.5800 575.5858       113.9889 455.8211       262.8741 139.1367 14.16654 121.8566 34.96252 17.28018       37.72358 
1 1 1 13  15 7  o 136.4050 13.89300 553.2242       109.5920 592.6362       119.2491 339.0315       277.9988 141.1289 14.61895 109.2737 36.72694 31.85519       39.52951 
1 1 1 13  15 8  o 93.06392 20.14223 265.8016       106.7406 265.8016       106.7406 0.000000       0.000000 93.06392 20.14223 ?        ?        0.000000       20.14223 
1 1 1 13  15 9  o 276.9024 11.03519 2257.787       178.8489 2257.787       178.8489 0.000000       0.000000 276.9024 11.03519 ?        ?        0.000000       11.03519 
1 1 1 13  15 10 o 101.0831 35.11557 279.6552       254.5735 279.6552       254.5735 0.000000       0.000000 101.0831 35.11557 ?        ?        0.000000       35.11557 
1 1 1 13  15 11 o 339.4655 10.67237 3391.895       212.2106 3391.895       212.2106 0.000000       0.000000 339.4655 10.67237 ?        ?        0.000000       10.67237 
1 1 1 13  15 12 o 594.8612 12.97044 10422.57       452.5023 10422.57       452.5023 0.000000       0.000000 594.8612 12.97044 ?        ?        0.000000       12.97044 
1 1 1 13  15 13 o 675.1573 10.93049 13412.44       432.8078 13297.66       550.6691 13597.94       700.0325 671.5369 13.98203 677.7479 17.62659 -6.210938      22.49875 
1 1 1 13  15 14 o 219.3012 9.727172 1417.151       124.7947 1619.438       164.5007 1142.891       191.5425 234.1759 12.01795 195.8610 16.83830 38.31485       20.68718 
1 1 1 13  15 15 o 47.22640 20.71174 -25.51465      109.9247 15.21783       181.3004 -49.19304      138.2306 65.17208 27.55505 51.35511 22.84018 13.81697       35.79042 
1 1 1 13  15 16 f 516.7840 11.41203 7867.661       345.8776 7573.044       573.5792 8036.007       433.5780 504.4566 19.42367 521.4388 14.19114 -16.98215      24.05550 
1 1 1 13  15 17 o 471.3600 10.65529 6543.244       294.5565 6434.190       504.6296 6599.602       362.7707 465.0432 18.53959 472.6900 13.09858 -7.646790      22.69998 
1 1 1 13  15 18 o 459.9868 7.732014 6219.670       208.5876 6301.101       313.5938 6155.056       279.3431 462.1489 11.57916 457.1386 10.41932 5.010254       15.57688 
1 1 1 13  15 19 o 284.2944 8.083742 2378.668       134.6450 2576.696       272.5498 2314.735       154.8621 294.4193 15.84279 280.2598 9.435249 14.15948       18.43957 
1 1 1 13  15 20 o 329.4421 7.901137 3191.505       152.6579 2987.558       273.4612 3283.836       183.9967 317.3127 14.73483 333.8479 9.406846 -16.53519      17.48153 
1 1 1 13  15 21 o 281.1265 8.139567 2326.531       134.0591 2283.109       269.6318 2340.790       154.5100 276.7768 16.68834 281.8117 9.361602 -5.034973      19.13479 
1 1 1 13  15 22 o 98.23975 15.37513 292.7156       85.68143 80.47881       219.9648 330.6779       93.02919 76.43854 31.15122 104.4885 15.66307 -28.05000      34.86732 
1 1 1 13  15 23 o 296.4312 8.340182 2586.926       144.8499 2528.952       277.5810 2608.620       169.8023 291.4698 16.30347 297.4588 9.746599 -5.988953      18.99472 
1 1 1 13  15 24 o 160.3031 11.56692 761.9617       108.0140 282.6965       255.4439 866.3126       119.1944 100.1284 35.14893 170.9176 11.96661 -70.78924      37.13014 
1 1 1 13  15 25 o 44.63684 19.72152 -29.52968      101.3923 -252.2095      237.4886 20.10635       112.1246 57.28215 27.03863 52.59020 21.91480 4.691952       34.80439 
1 1 1 13  15 26 o 254.2699 8.905465 1905.626       132.5962 1835.390       250.5421 1932.952       156.2761 247.7614 17.35205 255.8456 10.43703 -8.084198      20.24908 
1 1 1 13  15 27 o 57.93111 21.52903 79.08791       97.55963 193.4997       231.7008 54.43267       107.5590 88.37282 33.11119 55.98773 22.13466 32.38509       39.82831 
1 1 1 13  15 28 o 124.6520 14.92694 468.0157       106.9568 186.8662       251.1304 530.3145       118.2144 89.26425 34.23263 132.6705 15.48384 -43.40625      37.57156 
1 1 1 13  15 29 o 144.4499 13.12959 623.8408       110.0152 534.6235       249.0711 645.4662       122.6258 128.0643 32.96746 146.6622 14.44374 -18.59793      35.99271 
1 1 1 13  15 30 o 165.2374 11.69818 812.5106       112.6316 1009.002       238.2566 755.9621       127.8153 180.7820 22.99127 158.8797 13.85562 21.90230       26.84356 
1 1 1 13  15 31 o 40.40230 18.57340 -70.56520      100.8490 -222.1609      231.8672 -35.19601      111.9975 57.08866 26.87640 46.29520 20.57619 10.79346       33.84849 
1 1 1 13  15 32 o 187.1650 10.77724 1040.997       117.7993 1288.708       263.8001 979.2999       131.6546 204.1437 22.40130 181.1061 12.47131 23.03764       25.63888 
1 1 1 13  15 33 o 251.3448 8.980924 1869.808       132.1730 1829.076       268.8635 1882.789       151.7796 244.7681 18.87521 251.8515 10.29758 -7.083405      21.50149 
1 1 1 13  15 34 o 234.3748 8.747804 1628.029       120.0322 1716.592       214.6027 1587.709       144.8002 238.0485 15.45515 230.8363 10.72515 7.212158       18.81198 
1 1 1 13  15 35 o 71.39254 21.37603 162.2042       96.47962 185.6837       193.3338 154.4180       111.3333 80.63198 30.23855 70.59254 23.22854 10.03944       38.13050 
1 1 1 13  15 36 o 217.0989 9.152164 1403.121       116.2671 1479.890       212.4599 1370.303       138.9136 219.2594 16.64661 213.7805 11.11785 5.478851       20.01790 
1 1 1 13  15 37 o 37.15892 17.41236 -85.30704      95.37022 -219.2785      196.8344 -44.20742      109.0219 49.72237 23.79254 43.85175 19.82876 5.870621       30.97200 
1 1 1 13  15 38 o 137.1964 13.17079 575.1918       104.6752 305.1392       190.1326 692.6403       125.3880 93.23322 30.33618 150.0812 14.42290 -56.84798      33.59024 
1 1 1 13  15 39 o 86.93211 20.63791 250.4323       103.6378 136.1292       184.8000 302.8754       125.1749 72.20822 28.86114 94.75340 22.80257 -22.54518      36.78210 
1 1 1 13  15 40 o 115.8456 16.21250 423.8991       107.1371 405.5224       218.4407 429.7200       122.9395 103.5848 32.38839 115.2769 18.83413 -11.69217      37.46641 
1 1 1 13  15 41 o 44.33754 19.51912 -8.560873      98.48451 -12.10865      100.6639 70.72058       475.8627 44.42846 19.63904 85.85535 39.77939 -41.42689      44.36318 
1 1 1 13  15 42 o 166.7421 12.50068 853.8156       121.3546 813.3336       125.8449 1390.904       458.3827 162.2137 13.34604 172.6479 44.86637 -10.43414      46.80927 
1 1 1 13  15 43 o 152.2700 13.45816 719.3024       118.9490 806.2690       124.8965 -129.1471      390.1099 161.3584 13.31644 71.82056 34.12183 89.53784       36.62823 
1 1 1 13  15 44 o 121.1271 16.84588 473.3107       116.4360 444.0616       122.7045 737.8380       369.0109 116.1247 18.64824 121.8037 42.27986 -5.678955      46.20977 
1 1 1 13  15 45 o 81.42060 23.69804 235.8237       119.9733 235.8336       125.1956 235.7122       419.7679 81.14240 24.36296 86.54689 39.04250 -5.404488      46.02033 
1 1 1 13  16 0  o 664.1823 16.15287 12996.60       629.1982 12569.43       858.1639 13493.17       925.2610 651.3701 22.49803 674.6227 23.42136 -23.25262      32.47647 
1 1 1 13  16 1  o 454.6456 12.41956 6082.754       330.8438 5951.109       440.3026 6253.467       501.3954 449.0457 16.74834 459.9820 18.62464 -10.93628      25.04764 
1 1 1 13  16 2  f 358.0262 11.12701 3770.964       233.3546 3571.340       295.0080 4104.665       381.4220 348.0163 14.48552 372.6852 17.49958 -24.66898      22.71708 
1 1 1 13  16 3  o 342.7094 11.10829 3455.628       222.9716 3485.548       284.8235 3408.268       358.3475 343.8344 14.15487 339.4160 18.06712 4.418396       22.95171 
1 1 1 13  16 4  o 666.1972 12.44430 13053.21       486.2099 12969.99       570.6210 13273.75       928.9006 663.6881 14.65997 668.7861 23.72027 -5.098022      27.88487 
1 1 1 13  16 5  o 419.2662 12.04055 5173.719       295.7582 5404.403       399.0885 4892.674       440.5017 427.9343 15.92943 406.6779 18.51772 21.25638       24.42647 
1 1 1 13  16 6  o 201.0978 10.12240 1191.364       118.9988 1241.558       132.9590 989.2848       266.7788 205.2083 11.08890 180.6703 25.91885 24.53796       28.19132 
1 1 1 13  16 7  o 470.3029 10.10906 6500.295       278.8295 6500.378       326.5985 6500.069       535.4866 469.9632 11.85897 468.4907 19.53218 1.472504       22.85041 
1 1 1 13  16 8  o 229.3582 22.22259 1573.913       295.1820 1573.913       295.1820 0.000000       0.000000 229.3582 22.22259 ?        ?        0.000000       22.22259 
1 1 1 13  16 9  o 429.8691 11.32395 5439.132       285.2372 5439.132       285.2372 0.000000       0.000000 429.8691 11.32395 ?        ?        0.000000       11.32395 
1 1 1 13  16 10 o 470.7715 11.32632 6520.345       312.7155 6520.345       312.7155 0.000000       0.000000 470.7715 11.32632 ?        ?        0.000000       11.32632 
1 1 1 13  16 11 o 316.5689 10.27426 2950.324       190.4994 2950.324       190.4994 0.000000       0.000000 316.5689 10.27426 ?        ?        0.000000       10.27426 
1 1 1 13  16 12 o 311.8443 15.06009 2877.312       274.6187 2877.312       274.6187 0.000000       0.000000 311.8443 15.06009 ?        ?        0.000000       15.06009 
1 1 1 13  16 13 o 191.9781 9.690685 1086.705       108.7552 1186.291       135.4052 905.6859       182.5571 200.3786 11.57137 173.9189 18.16541 26.45966       21.53784 
1 1 1 13  16 14 o 394.4142 8.404279 4572.636       194.4032 4430.691       247.3159 4802.156       314.4870 387.7790 10.88547 403.2475 13.31608 -15.46854      17.19917 
1 1 1 13  16 15 o 204.7538 10.87939 1238.052       130.1743 1473.430       206.2185 1082.132       167.8405 222.5949 15.90127 190.7323 15.12836 31.86256       21.94806 
1 1 1 13  16 16 f 40.14105 17.92962 -35.32100      86.13556 81.57381       136.2839 -113.0765      111.1508 64.68183 25.10798 39.98590 18.75646 24.69593       31.34031 
1 1 1 13  16 17 o 419.3213 7.223778 5167.033       177.6486 5188.838       269.9527 5150.376       235.9355 419.4778 10.98252 418.3006 9.617325 1.177124       14.59824 
1 1 1 13  16 18 o 114.5261 13.46210 392.8468       88.69597 361.1174       151.1519 409.5101       109.5375 107.5246 24.51538 116.3715 16.51275 -8.846909      29.55798 
1 1 1 13  16 19 o 72.64948 18.19493 163.1541       77.34695 216.8577       151.0093 144.0542       90.05702 85.07211 26.97416 69.01141 20.64976 16.06071       33.97083 
1 1 1 13  16 20 o 497.8924 7.921411 7290.381       231.3069 7631.252       366.7152 7065.162       298.0822 508.3622 12.30000 489.6336 10.38041 18.72867       16.09481 
1 1 1 13  16 21 o 183.8899 9.015994 997.7032       96.93843 910.7582       235.6816 1015.407       106.3510 172.4464 23.94898 185.4140 9.815186 -12.96761      25.88226 
1 1 1 13  16 22 o 170.8072 9.908295 862.2293       98.82966 678.2949       255.7192 894.5267       107.1558 146.4468 30.75415 173.8975 10.55656 -27.45068      32.51551 
1 1 1 13  16 23 o 131.0649 12.64987 511.9893       96.02827 116.2646       259.9943 574.5008       103.3349 84.56849 34.08365 138.8736 12.83261 -54.30508      36.41938 
1 1 1 13  16 24 o 528.1641 9.253134 8212.506       286.6212 8452.760       508.1240 8100.387       347.1158 533.4018 16.26194 524.0401 11.29430 9.361694       19.79929 
1 1 1 13  16 25 o 508.3794 8.845114 7607.559       263.7193 8011.147       473.3820 7425.935       317.5627 519.4092 15.55756 501.8101 10.79045 17.59912       18.93334 
1 1 1 13  16 26 o 155.7589 11.22707 719.8105       101.8699 720.7303       246.0138 719.6202       111.9155 151.2596 28.78360 155.5450 12.37010 -4.285355      31.32914 
1 1 1 13  16 27 o 212.6172 9.323043 1334.791       115.9710 1243.780       255.7787 1358.342       130.1137 202.0768 21.93365 214.3125 10.38291 -12.23576      24.26706 
1 1 1 13  16 28 o 74.03574 21.51290 169.1929       98.94211 331.3995       248.2482 138.5602       107.8809 103.8979 34.70319 69.00066 22.87235 34.89722       41.56268 
1 1 1 13  16 29 o 105.2117 17.15436 339.3282       102.2058 485.8671       232.7693 304.3281       113.7586 122.1201 32.08846 98.74757 20.32101 23.37252       37.98174 
1 1 1 13  16 30 o 328.1738 8.703598 3178.453       167.3670 3187.644       305.0557 3174.495       200.1863 326.1855 15.99523 327.5117 10.43546 -1.326263      19.09833 
1 1 1 13  16 31 o 218.0888 9.604683 1408.072       122.5464 1482.929       279.5488 1390.265       136.3454 219.5386 22.00829 216.4377 10.77519 3.100967       24.50448 
1 1 1 13  16 32 f 249.5337 9.466658 1843.968       138.2892 1485.323       275.7682 1964.457       159.8394 219.2889 21.72797 257.2471 10.61738 -37.95818      24.18333 
1 1 1 13  16 33 o 150.3053 11.81812 676.7680       103.3400 575.2882       234.7529 701.1598       115.0913 130.8851 31.05305 152.6800 12.97596 -21.79494      33.65512 
1 1 1 13  16 34 f 189.0473 9.760123 1064.038       107.8459 1130.212       238.4814 1047.026       120.9161 189.3557 21.87644 187.1241 11.06746 2.231613       24.51667 
1 1 1 13  16 35 o 186.7571 9.970744 1041.188       108.8123 923.2568       228.8540 1075.635       123.6878 169.0707 23.73276 189.4011 11.18489 -20.33035      26.23635 
1 1 1 13  16 36 o 180.1075 9.931967 969.9455       104.5040 1106.418       201.8245 919.9514       122.1549 188.0807 18.53768 174.6158 12.00123 13.46490       22.08337 
1 1 1 13  16 37 o 178.1423 9.936342 950.2647       103.3998 1048.283       199.0547 914.0422       121.0064 182.4016 18.88038 173.9083 11.93657 8.493332       22.33720 
1 1 1 13  16 38 o 137.4917 12.68158 577.0182       101.1072 521.0970       202.0322 595.7036       116.7836 121.3607 28.81721 138.8720 14.55491 -17.51130      32.28432 
1 1 1 13  16 39 o 153.4842 12.00498 716.8965       107.2035 701.1462       109.8079 1037.165       495.1616 151.5665 12.46322 144.9610 49.01638 6.605469       50.57606 
1 1 1 13  16 40 o 158.8481 12.44294 771.4950       114.9947 770.7052       118.8508 783.0773       455.1378 158.5291 12.89455 125.9601 46.55807 32.56898       48.31069 
1 1 1 13  16 41 o 134.2778 29.42373 662.1810       225.2987 844.8712       256.3704 42.57142       472.1385 151.7510 29.87014 84.00966 39.16097 67.74130       49.25248 
1 1 1 13  16 42 o 130.0999 15.16624 533.5511       113.5516 554.7804       117.6149 242.1292       435.7690 132.5388 15.41855 89.54952 40.13903 42.98928       42.99853 
1 1 1 13  16 43 o 91.46074 20.86151 284.9249       109.4149 294.3436       113.3609 156.6570       418.3381 92.74377 21.29214 84.08731 38.34331 8.656464       43.85846 
1 1 1 13  16 44 o 48.03316 21.23639 -3.716142      117.7577 58.61123       124.1084 -566.3937      372.8992 55.53516 23.09211 57.46063 28.55360 -1.925476      36.72266 
1 1 1 13  16 45 o 132.6613 16.45709 566.6570       125.2966 497.9421       133.3711 1083.157       365.6551 122.3501 19.21982 153.8674 40.11512 -31.51732      44.48173 
1 1 1 13  17 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  17 1  o 578.5386 14.45079 9857.290       490.3142 9308.072       654.3157 10560.65       740.4664 560.7594 19.92743 596.9859 21.18262 -36.22650      29.08274 
1 1 1 13  17 2  o 321.7353 10.58141 3045.804       199.3893 2852.805       247.2737 3404.548       337.1263 311.0127 13.58935 339.2936 16.99619 -28.28091      21.76100 
1 1 1 13  17 3  o 451.0934 12.33233 5990.781       325.9525 5973.967       436.6898 6011.933       489.8015 449.7380 16.58469 450.7588 18.56761 -1.020844      24.89595 
1 1 1 13  17 4  o 621.3064 11.61979 11353.10       423.4035 11326.33       495.7349 11425.28       814.0482 620.2302 13.62844 620.4053 22.40981 -0.1751099     26.22849 
1 1 1 13  17 5  o 361.4692 9.411061 3841.693       199.3384 3949.931       238.3373 3589.719       363.6475 366.3391 11.10606 348.1803 17.86820 18.15881       21.03847 
1 1 1 13  17 6  o 304.1125 9.311501 2720.044       165.8795 2779.154       194.7452 2563.797       316.6214 307.2438 10.82461 293.9489 18.45934 13.29492       21.39905 
1 1 1 13  17 7  o 376.7286 9.486917 4173.603       209.4395 4271.981       245.6362 3911.624       400.8434 380.9599 11.00571 363.1648 18.88492 17.79514       21.85785 
1 1 1 13  17 8  o 510.4695 11.94684 7669.428       357.6624 7669.428       357.6624 0.000000       0.000000 510.4695 11.94684 ?        ?        0.000000       11.94684 
1 1 1 13  17 9  o 169.2643 10.76215 846.1742       106.2821 846.1742       106.2821 0.000000       0.000000 169.2643 10.76215 ?        ?        0.000000       10.76215 
1 1 1 13  17 10 o 219.4198 10.43524 1419.435       133.9005 1419.435       133.9005 0.000000       0.000000 219.4198 10.43524 ?        ?        0.000000       10.43524 
1 1 1 13  17 11 o 504.2287 11.64183 7486.797       344.2701 7486.797       344.2701 0.000000       0.000000 504.2287 11.64183 ?        ?        0.000000       11.64183 
1 1 1 13  17 12 o 412.0730 10.55006 5000.826       254.7547 5000.826       254.7547 0.000000       0.000000 412.0730 10.55006 ?        ?        0.000000       10.55006 
1 1 1 13  17 13 o 302.3208 14.53186 2705.958       256.9012 2705.958       256.9012 0.000000       0.000000 302.3208 14.53186 ?        ?        0.000000       14.53186 
1 1 1 13  17 14 o 115.4258 15.45947 400.9427       102.0231 465.5916       126.9397 282.9913       171.4624 124.0334 17.97367 96.00595 28.43631 28.02744       33.64040 
1 1 1 13  17 15 o 246.1935 7.530963 1782.931       108.6092 1678.204       152.3073 1891.280       154.9193 238.4288 10.92110 253.2104 10.45463 -14.78163      15.11852 
1 1 1 13  17 16 o 280.5258 7.078530 2313.892       116.3642 2382.594       182.2528 2266.612       151.1928 284.1303 10.95774 277.3686 9.307624 6.761749       14.37720 
1 1 1 13  17 17 o 250.8753 7.690062 1852.099       113.0122 1910.793       170.6332 1806.234       150.8378 254.2820 11.47142 247.3818 10.41995 6.900238       15.49738 
1 1 1 13  17 18 o 180.4111 8.832068 960.0682       93.16534 981.8513       154.3063 947.5721       116.8716 181.5394 14.61659 178.9114 11.19444 2.628021       18.41087 
1 1 1 13  17 19 o 205.2143 8.002453 1240.448       96.12759 1520.643       174.6429 1118.661       115.1387 226.4302 13.20857 194.5946 10.12362 31.83556       16.64193 
1 1 1 13  17 20 o 185.5305 8.080752 1014.347       87.71519 1048.436       169.7461 1001.928       102.4542 187.4033 15.58537 184.2140 9.515491 3.189301       18.26056 
1 1 1 13  17 21 o 199.0170 8.104132 1166.885       94.39254 1205.875       189.9569 1154.101       108.7724 200.9322 16.25838 197.7619 9.405285 3.170334       18.78282 
1 1 1 13  17 22 o 52.80489 25.17716 -271.1729      216.2651 -161.0524      250.6722 -591.7507      427.6996 64.06055 29.38779 71.45642 34.41986 -7.395874      45.25891 
1 1 1 13  17 23 o 216.6682 19.58083 1411.675       246.1324 1187.016       281.9330 2131.594       504.6906 196.9545 24.96812 261.0332 33.75661 -64.07869      41.98709 
1 1 1 13  17 24 o 299.9157 8.234828 2648.237       144.7082 2625.596       299.6808 2655.121       165.2505 296.6188 17.30212 300.1243 9.399981 -3.505554      19.69068 
1 1 1 13  17 25 o 82.69254 17.41963 211.0976       81.80872 -74.43779      227.7484 253.3981       87.65926 65.42406 29.19324 90.85049 17.07885 -25.42644      33.82207 
1 1 1 13  17 26 o 195.9644 9.204842 1133.933       105.4942 1037.183       254.0491 1154.092       115.9651 183.6523 24.17326 197.5737 10.04093 -13.92148      26.17569 
1 1 1 13  17 27 f 130.8324 12.50838 511.3809       94.80977 512.2859       240.1954 511.2139       103.1885 125.7335 32.37850 130.5767 13.67727 -4.843216      35.14875 
1 1 1 13  17 28 o 237.0839 8.893584 1659.565       123.4408 1534.649       252.4577 1698.813       141.5106 225.1212 19.30777 239.6417 10.09135 -14.52052      21.78590 
1 1 1 13  17 29 f 66.71260 21.04353 133.7715       92.01352 423.1604       243.1235 85.39113       99.40788 114.0152 33.88398 58.96121 21.76496 55.05395       40.27205 
1 1 1 13  17 30 o 58.05389 21.29928 84.31610       94.95927 293.8289       259.1453 51.82103       102.0579 99.45859 35.35822 54.27599 21.52837 45.18260       41.39655 
1 1 1 13  17 31 o 112.8830 15.17697 387.7722       97.93305 570.6060       262.2674 358.1483       105.5692 130.4715 33.95317 107.8367 17.27546 22.63485       38.09539 
1 1 1 13  17 32 o 69.73647 29.43014 47.10313       206.1876 188.5893       239.4733 -358.3852      405.4051 86.23515 33.33494 73.60493 34.91589 12.63022       48.27357 
1 1 1 13  17 33 o 204.4565 9.341379 1241.692       111.7155 1301.857       239.6976 1224.997       126.2681 204.6813 20.23240 202.6835 10.65992 1.997787       22.86884 
1 1 1 13  17 34 o 114.8948 13.70316 402.8275       90.51820 452.2341       219.7836 392.7352       99.33400 113.9882 31.71942 112.8561 15.41010 1.132103       35.26461 
1 1 1 13  17 35 o 30.86841 14.93682 -127.5518      82.81393 -205.4692      212.4107 -113.5851      89.93037 53.07623 25.20545 33.73714 16.12684 19.33909       29.92306 
1 1 1 13  17 36 o 186.1888 19.14050 1091.367       206.0317 1164.338       230.7238 804.1426       457.7495 191.1232 20.92559 136.1529 47.09883 54.97026       51.53814 
1 1 1 13  17 37 o 53.83676 20.07997 75.71442       85.01675 98.49834       86.29011 -679.2211      496.7085 58.03067 20.42423 69.25571 34.14873 -11.22505      39.79051 
1 1 1 13  17 38 o 233.7017 9.832380 1637.965       134.4620 1692.938       140.6336 1052.545       458.9317 237.4402 10.12236 150.8174 46.91335 86.62283       47.99297 
1 1 1 13  17 39 o 109.2884 16.23645 378.0709       100.9099 376.8615       103.0110 406.8140       502.1886 108.9082 16.65618 102.8479 44.70159 6.060341       47.70388 
1 1 1 13  17 40 o 130.7048 14.83042 534.1522       111.6758 569.2891       114.8519 -74.91796      478.1790 135.0257 14.74269 80.87494 38.23281 54.15071       40.97676 
1 1 1 13  17 41 o 44.59782 19.76872 -12.97492      102.6905 -15.42175      105.3569 33.53790       459.3533 44.90080 19.95662 82.43586 38.49344 -37.53506      43.35910 
1 1 1 13  17 42 o 101.4157 31.31943 401.5196       204.9635 385.3029       238.2693 447.6689       401.9470 97.61694 33.96887 99.82323 41.53654 -2.206291      53.65788 
1 1 1 13  17 43 o 52.36570 21.85446 45.95775       111.7567 68.61604       116.3544 -223.8716      401.5261 55.76532 22.68242 68.77487 33.18362 -13.00955      40.19509 
1 1 1 13  17 44 o 34.81344 16.99296 -179.8108      113.6410 -154.8942      119.0509 -435.4272      381.3141 37.27797 18.00681 61.15568 30.10952 -23.87770      35.08316 
1 1 1 13  18 0  o 472.9882 12.41566 6588.539       344.1081 6578.402       474.4421 6599.791       499.8350 471.7003 17.17879 472.2600 18.07997 -0.5597229     24.93985 
1 1 1 13  18 1  o 457.9665 12.22054 6176.278       327.9340 6134.880       446.9587 6224.546       482.6301 455.5819 16.75680 458.6304 17.97807 -3.048492      24.57644 
1 1 1 13  18 2  o 153.5896 10.74346 697.0186       96.16319 707.4740       108.6935 659.3526       206.3033 154.5890 12.08474 146.9404 24.82276 7.648636       27.60816 
1 1 1 13  18 3  o 155.1267 10.45720 710.7319       94.58176 709.4828       105.3596 715.9168       214.6669 154.8519 11.68758 153.2571 24.72448 1.594788       27.34775 
1 1 1 13  18 4  o 213.7924 9.097962 1345.514       113.8133 1351.893       129.0106 1323.123       241.7072 214.1832 10.30065 210.4790 19.81388 3.704163       22.33144 
1 1 1 13  18 5  o 180.9862 30.32148 1008.038       310.4708 1008.038       310.4708 0.000000       0.000000 180.9862 30.32148 ?        ?        0.000000       30.32148 
1 1 1 13  18 6  o 406.9017 9.390580 4866.672       224.0951 4979.638       266.9437 4597.045       412.4070 411.2585 11.07771 393.8441 17.90145 17.41446       21.05178 
1 1 1 13  18 7  o 145.7943 9.755158 627.7484       82.93143 582.3853       88.85388 934.4059       231.0213 140.2760 10.88561 175.7902 22.95610 -35.51427      25.40628 
1 1 1 13  18 8  o 320.2952 8.957636 3017.765       168.1000 3034.386       195.9264 2971.400       327.2395 320.9993 10.42112 316.3828 17.70673 4.616425       20.54576 
1 1 1 13  18 9  o 260.6630 10.09051 2001.682       153.9649 2001.682       153.9649 0.000000       0.000000 260.6630 10.09051 ?        ?        0.000000       10.09051 
1 1 1 13  18 10 o 196.0652 10.20988 1134.139       116.9965 1134.139       116.9965 0.000000       0.000000 196.0652 10.20988 ?        ?        0.000000       10.20988 
1 1 1 13  18 11 o 316.9884 10.19992 2960.105       189.3759 2960.105       189.3759 0.000000       0.000000 316.9884 10.19992 ?        ?        0.000000       10.19992 
1 1 1 13  18 12 o 517.5790 11.80751 7895.070       358.4144 7895.070       358.4144 0.000000       0.000000 517.5790 11.80751 ?        ?        0.000000       11.80751 
1 1 1 13  18 13 o 299.1485 7.896326 2632.223       138.4148 2887.056       179.2704 2256.062       217.8046 313.0550 9.776196 276.0973 13.49184 36.95773       16.66145 
1 1 1 13  18 14 o 444.8878 8.402262 5820.296       219.2286 5968.568       289.4154 5620.687       335.8027 450.0742 10.96445 436.1119 13.14412 13.96231       17.11687 
1 1 1 13  18 15 o 256.0620 7.333231 1928.656       110.0128 2073.184       152.8914 1773.489       158.4191 265.1678 9.848431 245.0456 11.05170 20.12219       14.80310 
1 1 1 13  18 16 o 266.0232 7.277957 2081.620       113.4413 2274.481       165.5138 1910.758       155.7881 277.6818 10.18057 254.4367 10.46240 23.24516       14.59815 
1 1 1 13  18 17 o 373.3435 7.535890 4097.912       165.0037 4610.109       250.8248 3707.146       219.0837 395.2990 10.82938 354.5031 10.54928 40.79581       15.11830 
1 1 1 13  18 18 o 139.6405 9.627395 576.9606       78.36183 618.5490       133.3464 555.0223       96.84934 143.5011 16.12298 136.5677 12.22104 6.933411       20.23127 
1 1 1 13  18 19 o 303.5543 7.200279 2708.611       128.1847 2794.966       201.8542 2650.252       165.9387 307.6253 11.20706 299.8576 9.447660 7.767761       14.65798 
1 1 1 13  18 20 o 51.44266 18.31002 68.09576       69.51207 82.06831       149.6662 64.25275       78.49143 66.62130 26.18040 52.27358 19.33224 14.34772       32.54457 
1 1 1 13  18 21 o 401.6989 7.762658 4744.823       182.8781 5172.782       297.4467 4484.732       231.8839 418.4204 12.13402 390.0239 10.14607 28.39651       15.81699 
1 1 1 13  18 22 o 314.6392 11.84418 2925.839       218.1686 2766.843       240.6992 3657.835       516.4603 305.6077 13.46254 347.1416 25.54656 -41.53391      28.87675 
1 1 1 13  18 23 o 364.9791 7.664309 3917.211       164.0558 4032.508       274.6583 3853.260       204.5554 369.1942 12.70383 361.5629 9.655293 7.631317       15.95657 
1 1 1 13  18 24 o 54.08902 25.41072 -202.8841      205.3564 -61.91385      229.9401 -758.4211      456.4648 66.62045 29.55337 69.99580 34.14210 -3.375351      45.15623 
1 1 1 13  18 25 o 139.5590 10.80382 578.2162       87.73903 82.29748       222.0680 669.9512       95.50989 76.51892 31.25598 150.2651 10.91212 -73.74615      33.10605 
1 1 1 13  18 26 o 57.31353 19.65821 90.87122       79.68611 -24.53533      259.6406 102.8721       83.72687 73.13667 31.95910 60.13670 20.15501 12.99997       37.78371 
1 1 1 13  18 27 o 153.0481 10.27974 694.8554       91.73486 687.4755       248.9510 696.0149       98.67852 146.3835 30.00694 153.0367 11.06933 -6.653259      31.98354 
1 1 1 13  18 28 o 115.7485 13.91550 403.9052       92.57141 29.31731       240.9086 468.7967       100.2696 73.98964 31.54156 124.8132 13.93553 -50.82359      34.48288 
1 1 1 13  18 29 o 52.56644 19.82186 62.77307       83.32436 -55.52085      236.7111 79.50401       89.02206 67.24488 29.89901 56.37130 20.63231 10.87358       36.32689 
1 1 1 13  18 30 o 293.5031 8.389258 2543.578       144.2583 2647.729       297.6228 2511.596       164.9271 296.2352 17.20489 291.3221 9.666512 4.913025       19.73448 
1 1 1 13  18 31 f 35.62321 16.50140 -65.39404      81.81281 -80.14486      231.5573 -63.29001      87.45317 64.30846 29.00519 37.38097 17.22486 26.92750       33.73421 
1 1 1 13  18 32 o 84.61633 17.17344 224.3987       82.30853 -63.58107      220.5496 270.9976       88.71825 63.20290 28.42420 93.29433 16.83389 -30.09144      33.03506 
1 1 1 13  18 33 o 208.5519 17.21430 1335.670       208.6761 1315.192       231.8623 1422.970       478.7365 205.6719 19.45345 194.3540 43.12757 11.31792       47.31199 
1 1 1 13  18 34 o 187.2995 10.58286 1049.947       115.7763 1099.974       119.1591 206.1977       489.3657 191.7018 10.64039 100.3397 43.86036 91.36217       45.13258 
1 1 1 13  18 35 o 54.10371 19.56665 79.95206       79.72985 67.59525       80.78562 543.4651       494.7797 52.04060 19.54032 117.3910 47.12082 -65.35038      51.01172 
1 1 1 13  18 36 o 54.29728 19.99900 78.79869       83.85205 98.57130       84.95786 -665.9536      521.4078 58.00289 20.27726 71.89265 35.35910 -13.88976      40.76068 
1 1 1 13  18 37 o 318.2299 9.774949 3031.634       182.2178 3134.367       196.9838 2422.432       479.6832 323.1415 10.40768 259.9743 32.14517 63.16724       33.78804 
1 1 1 13  18 38 o 146.8395 12.69127 659.4664       108.2228 680.4755       111.1201 272.2823       477.0334 149.1078 12.83165 96.53007 42.70711 52.57772       44.59314 
1 1 1 13  18 39 o 104.4561 17.83084 351.7820       105.3158 356.4117       108.5671 277.9385       433.5860 104.9075 18.31161 94.06290 41.19673 10.84460       45.08310 
1 1 1 13  18 40 o 35.76912 17.08953 -116.1606      100.7164 -86.53841      103.1184 -729.8613      469.3600 38.39392 18.02756 63.43861 31.60754 -25.04469      36.38722 
1 1 1 13  18 41 o 59.66044 22.64161 101.0650       109.1246 132.2874       112.3761 -415.1703      456.9459 64.66921 23.25027 68.54993 33.58997 -3.880722      40.85170 
1 1 1 13  18 42 o 71.63755 23.59593 176.1327       114.8722 166.5241       119.3445 297.1790       423.5915 70.13170 24.05759 90.76165 40.19504 -20.62995      46.84452 
1 1 1 13  18 43 o 46.25544 20.79812 -23.53553      118.0117 -25.03395      124.8976 -11.05946      360.3935 47.38372 21.34303 73.20826 34.15527 -25.82454      40.27539 
1 1 1 13  18 44 o 65.84887 23.74912 142.6491       117.3587 135.7633       123.8851 202.8849       366.4115 65.17949 24.25322 82.74857 36.96904 -17.56908      44.21458 
1 1 1 13  19 0  o 275.0653 12.50344 2232.675       201.1772 2232.675       201.1772 0.000000       0.000000 275.0653 12.50344 ?        ?        0.000000       12.50344 
1 1 1 13  19 1  o 540.1829 17.42692 8636.727       551.3702 8636.727       551.3702 0.000000       0.000000 540.1829 17.42692 ?        ?        0.000000       17.42692 
1 1 1 13  19 2  o 321.7952 10.18622 3048.323       191.9977 3168.558       255.4213 2892.132       291.1188 327.6422 13.32028 312.5517 15.93431 15.09048       20.76854 
1 1 1 13  19 3  f 539.9286 16.93046 8626.147       535.4496 8626.147       535.4496 0.000000       0.000000 539.9286 16.93046 ?        ?        0.000000       16.93046 
1 1 1 13  19 4  o 336.3582 8.982149 3327.715       177.0288 3317.608       210.4001 3352.214       327.5724 335.6328 10.70253 336.3560 16.65754 -0.7232056     19.79944 
1 1 1 13  19 5  o 224.5159 9.262527 1484.421       121.7008 1526.276       139.7807 1353.292       247.4133 227.5285 10.50350 212.6402 20.07703 14.88826       22.65856 
1 1 1 13  19 6  o 294.0607 8.769835 2543.954       151.0753 2559.466       176.5235 2501.487       292.0758 294.7848 10.22599 290.2438 17.23623 4.540985       20.04142 
1 1 1 13  19 7  o 527.0232 10.41154 8173.137       321.8067 8290.607       381.8402 7885.151       597.8643 530.4386 12.27428 514.9460 19.83367 15.49261       23.32450 
1 1 1 13  19 8  o 206.7675 9.100101 1259.559       110.0814 1326.953       124.2615 1013.794       237.2935 212.1350 10.01617 183.0727 22.57889 29.06233       24.70081 
1 1 1 13  19 9  o 108.2892 12.06219 349.8170       75.30699 349.8170       75.30699 0.000000       0.000000 108.2892 12.06219 ?        ?        0.000000       12.06219 
1 1 1 13  19 10 o 173.9196 9.892202 892.9702       100.4841 892.9702       100.4841 0.000000       0.000000 173.9196 9.892202 ?        ?        0.000000       9.892202 
1 1 1 13  19 11 o 325.4063 15.41349 3139.739       293.3197 3139.739       293.3197 0.000000       0.000000 325.4063 15.41349 ?        ?        0.000000       15.41349 
1 1 1 13  19 12 o 245.1346 11.68717 1775.528       167.5374 1775.528       167.5374 0.000000       0.000000 245.1346 11.68717 ?        ?        0.000000       11.68717 
1 1 1 13  19 13 o 336.9067 7.810480 3336.867       154.3256 3290.946       195.0060 3413.827       252.4493 334.1696 9.961290 339.8347 12.68876 -5.665161      16.13171 
1 1 1 13  19 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  19 15 o 207.4409 15.39457 1282.098       185.9542 1029.002       222.7649 1863.795       337.7171 184.3927 20.97148 248.0154 23.49822 -63.62260      31.49554 
1 1 1 13  19 16 o 249.6926 7.630403 1834.865       111.6076 2072.190       189.1078 1708.020       138.2528 264.6404 12.21732 240.6093 9.818025 24.03110       15.67344 
1 1 1 13  19 17 o 36.64075 15.38588 5.821056       55.90781 32.51497       80.51606 -19.03237      77.69077 47.37265 19.01089 39.58382 17.38448 7.788830       25.76110 
1 1 1 13  19 18 o 341.9235 6.827055 3435.804       136.9030 3596.748       220.5543 3334.925       174.6143 349.1065 10.78520 336.5005 8.855668 12.60602       13.95505 
1 1 1 13  19 19 o 194.2779 7.263756 1111.051       82.61703 1211.897       148.9036 1066.199       99.30412 202.1600 12.62210 190.1217 8.931011 12.03831       15.46222 
1 1 1 13  19 20 o ?        ?        -222.7749      55.73434 -292.6891      134.3675 -208.2465      61.25211 35.82463 17.68268 20.62906 10.42836 15.19557       20.52871 
1 1 1 13  19 21 o 262.0089 13.07333 2033.899       200.2528 2033.899       200.2528 0.000000       0.000000 262.0089 13.07333 ?        ?        0.000000       13.07333 
1 1 1 13  19 22 o 223.0259 7.845359 1464.682       102.4570 1234.193       197.1018 1550.023       119.9342 203.1450 16.69083 229.2996 8.935550 -26.15466      18.93219 
1 1 1 13  19 23 o 365.3063 7.597603 3924.790       162.7737 3905.631       257.3429 3937.567       210.1536 363.3976 12.09163 365.4109 9.815181 -2.013306      15.57387 
1 1 1 13  19 24 o 89.34039 13.43327 241.4898       68.20832 281.2682       183.9720 235.1505       73.44247 95.49828 29.70241 87.86548 14.77593 7.632805       33.17471 
1 1 1 13  19 25 o 101.2294 12.70931 308.0449       73.79465 175.5089       245.4823 321.2116       77.37342 87.59631 33.78000 103.3339 13.05836 -15.73754      36.21615 
1 1 1 13  19 26 o 279.7413 7.753689 2305.790       127.0856 2804.823       296.1240 2193.126       140.7018 306.0336 16.56055 272.6246 8.811604 33.40906       18.75890 
1 1 1 13  19 27 o 404.0442 8.315499 4811.176       197.0460 4948.668       359.1614 4751.972       235.6823 407.1999 15.06540 401.0986 10.01902 6.101257       18.09274 
1 1 1 13  19 28 o 161.2531 9.378206 770.2114       88.30801 865.2712       254.6234 757.2140       94.15179 165.3154 27.20812 159.7538 10.10081 5.561600       29.02254 
1 1 1 13  19 29 f 142.5329 10.57993 604.5682       87.80927 454.7801       261.9909 623.5237       93.19988 117.1596 35.25844 144.6633 11.06923 -27.50365      36.95518 
1 1 1 13  19 30 o 86.68398 16.93530 233.5927       83.00716 249.9920       84.48028 -224.3750      446.4368 89.82035 16.65022 83.25648 38.55944 6.563866       42.00072 
1 1 1 13  19 31 o 147.7521 11.48116 653.2887       98.70755 670.4595       101.1981 317.2589       447.6784 149.6558 11.62098 109.1531 44.45678 40.50272       45.95054 
1 1 1 13  19 32 o 127.0215 11.96415 486.0367       88.07738 486.4207       90.06702 477.6311       421.3632 126.9929 12.24470 117.0168 44.47194 9.976128       46.12685 
1 1 1 13  19 33 o 101.8454 14.85928 320.1996       86.14080 326.8118       87.41249 97.89337       506.8456 102.8897 14.92094 96.80932 43.34886 6.080383       45.84494 
1 1 1 13  19 34 o 62.08515 20.01048 119.3995       82.84448 108.9796       83.95420 505.7559       511.2155 60.11050 20.18277 115.8870 47.39031 -55.77654      51.50908 
1 1 1 13  19 35 o 170.1783 11.52165 873.2927       114.3145 848.1589       117.7054 1290.759       479.7091 167.4794 12.06436 175.4659 46.04605 -7.986511      47.60029 
1 1 1 13  19 36 o 194.2722 11.00817 1136.908       124.9096 1123.127       128.4368 1377.530       536.6749 192.9012 11.40371 172.2497 50.11800 20.65146       51.39902 
1 1 1 13  19 37 o 61.66317 20.60123 119.0503       87.48415 114.8968       88.75725 260.7260       518.3792 60.96548 20.75099 97.69848 43.78616 -36.73300      48.45443 
1 1 1 13  19 38 o 139.7753 13.32965 601.5190       107.9480 602.4219       111.1351 586.4494       454.0058 139.6741 13.74492 112.7326 45.17639 26.94149       47.22107 
1 1 1 13  19 39 o 79.42220 21.41209 213.7304       101.9899 201.7655       104.3698 467.1427       480.3246 77.05074 22.00556 103.4473 44.32909 -26.39657      49.49054 
1 1 1 13  19 40 o 49.51775 20.79417 32.54674       102.1284 40.76870       104.4749 -144.3454      484.5945 50.92736 21.18246 77.80465 37.25742 -26.87729      42.85804 
1 1 1 13  19 41 f 102.6119 18.77009 347.2219       108.7962 308.5263       112.8795 853.2330       408.1913 95.45097 20.75701 129.7519 44.49265 -34.30091      49.09632 
1 1 1 13  19 42 o 104.8806 19.61041 367.9182       116.1901 401.7149       121.0218 -30.16024      415.3472 109.7598 19.51571 75.92365 35.81345 33.83614       40.78561 
1 1 1 13  19 43 o 56.18258 23.32750 62.32017       126.3910 48.07570       132.0236 218.6547       437.3767 55.37907 23.46883 86.17788 39.26167 -30.79881      45.74128 
1 1 1 13  20 0  o 626.6796 13.95008 11586.93       512.7110 11759.10       675.5515 11353.02       787.3969 629.6744 18.31275 617.2538 21.78517 12.42053       28.45962 
1 1 1 13  20 1  o 580.5717 17.41777 9987.628       592.3896 9987.628       592.3896 0.000000       0.000000 580.5717 17.41777 ?        ?        0.000000       17.41777 
1 1 1 13  20 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  20 3  o 347.4918 10.33735 3556.274       210.4365 3462.278       276.0676 3686.638       325.1160 342.2869 13.78045 352.8094 15.75231 -10.52252      20.92931 
1 1 1 13  20 4  o 398.6724 9.210828 4673.850       215.3602 4708.402       259.5143 4597.420       385.9683 399.7409 11.08029 393.7794 16.75103 5.961487       20.08407 
1 1 1 13  20 5  o 189.8099 8.971367 1061.706       99.58576 1158.570       112.0227 696.6889       217.4604 198.2225 9.665264 150.5332 25.54402 47.68930       27.31143 
1 1 1 13  20 6  o 292.7674 8.911147 2522.703       152.8273 2572.703       180.9412 2398.249       285.4664 295.4533 10.45885 284.0099 17.21933 11.44339       20.14678 
1 1 1 13  20 7  o 191.5951 8.945039 1081.858       100.2344 1099.127       110.9011 1004.819       234.2375 193.0220 9.829029 182.1895 22.39257 10.83247       24.45480 
1 1 1 13  20 8  o 251.2141 8.538311 1857.694       125.6131 1845.155       142.5285 1901.314       265.8352 250.2206 9.730988 252.4921 18.07155 -2.271484      20.52494 
1 1 1 13  20 9  o 65.88085 29.62518 -102.9957      239.5036 -102.9957      239.5036 0.000000       0.000000 65.88085 29.62518 ?        ?        0.000000       29.62518 
1 1 1 13  20 10 o 219.5265 9.721646 1421.210       124.8530 1421.210       124.8530 0.000000       0.000000 219.5265 9.721646 ?        ?        0.000000       9.721646 
1 1 1 13  20 11 f 203.5538 9.507191 1222.182       113.1828 1222.182       113.1828 0.000000       0.000000 203.5538 9.507191 ?        ?        0.000000       9.507191 
1 1 1 13  20 12 f 302.5455 9.667433 2697.718       171.3147 2697.718       171.3147 0.000000       0.000000 302.5455 9.667433 ?        ?        0.000000       9.667433 
1 1 1 13  20 13 o 195.5158 8.046119 1126.084       92.06399 1153.837       108.7757 1056.001       172.8569 197.7507 9.406108 188.0741 15.81783 9.676575       18.40322 
1 1 1 13  20 14 o 313.4129 8.366828 2891.695       153.6525 2927.668       237.8250 2865.920       201.3069 314.5124 12.92097 311.5628 11.03440 2.949646       16.99145 
1 1 1 13  20 15 o 254.3113 7.488388 1903.135       111.5658 2125.123       182.8190 1771.409       140.8292 268.0999 11.65502 245.0320 9.819738 23.06796       15.24030 
1 1 1 13  20 16 o 348.1927 6.808061 3562.962       139.0252 3605.710       209.3794 3529.255       185.9262 349.6489 10.22157 346.1142 9.167549 3.534668       13.73042 
1 1 1 13  20 17 o 105.8645 7.906169 331.4265       48.73257 359.2915       69.33267 304.2178       68.51119 109.8538 10.90532 100.8507 11.80651 9.003075       16.07232 
1 1 1 13  20 18 o 354.5932 10.67298 3709.949       221.7033 3709.949       221.7033 0.000000       0.000000 354.5932 10.67298 ?        ?        0.000000       10.67298 
1 1 1 13  20 19 o ?        ?        -158.0056      40.00923 -182.3861      69.35273 -145.8442      48.98178 24.20135 12.07257 19.44092 9.762500 4.760427       15.52589 
1 1 1 13  20 20 o 271.4929 6.811863 2167.449       108.3757 2329.072       177.3986 2071.211       136.8906 280.8597 10.78994 265.1418 8.815544 15.71786       13.93329 
1 1 1 13  20 21 o 276.2838 6.859343 2243.458       111.1446 2304.830       187.0772 2209.978       138.1738 279.2426 11.44749 273.9017 8.612325 5.340881       14.32541 
1 1 1 13  20 22 o 99.17143 10.01779 292.7903       57.46721 176.5416       138.6323 316.9106       63.14829 77.97085 25.93070 103.1284 10.59113 -25.15752      28.01023 
1 1 1 13  20 23 o 353.2261 7.301410 3669.540       151.2551 3680.461       235.9255 3661.918       197.0890 352.8183 11.41683 352.3627 9.546016 0.4555359      14.88188 
1 1 1 13  20 24 o 214.3273 7.022003 1352.475       88.14594 1481.938       181.6978 1312.629       100.8021 223.0736 13.95832 210.9929 8.161518 12.08072       16.16926 
1 1 1 13  20 25 o 62.50321 26.10026 33.80236       159.5335 4.923444       170.0716 245.4081       460.3680 61.56567 26.37979 110.3014 45.02289 -48.73570      52.18193 
1 1 1 13  20 26 o 132.0240 22.32033 542.3464       166.6703 550.6279       180.1555 493.1587       439.0568 132.4747 24.07456 125.8586 45.85850 6.616104       51.79369 
1 1 1 13  20 27 o 95.59196 13.35169 276.6248       72.81363 291.5879       73.87145 -234.6422      431.8067 98.23207 13.15272 82.56613 38.12766 15.66594       40.33252 
1 1 1 13  20 28 o 76.03743 17.07046 180.2024       74.25393 192.5401       75.30244 -253.6072      446.5194 78.68245 16.82785 82.95267 38.46877 -4.270218      41.98836 
1 1 1 13  20 29 o 129.1995 12.10637 500.3082       90.66448 500.9788       92.55672 484.4085       450.6802 129.2274 12.36301 122.8969 46.15136 6.330498       47.77857 
1 1 1 13  20 30 o 123.5988 29.03663 505.0942       206.8820 464.0105       235.1695 645.7146       435.0814 117.1869 32.88475 133.5303 45.92968 -16.34337      56.48843 
1 1 1 13  20 31 o 39.46612 16.89195 1.086058       69.59425 -4.820839      70.66686 191.2484       400.9575 38.95382 16.85029 97.15580 41.02295 -58.20198      44.34879 
1 1 1 13  20 32 o 54.48824 25.36889 -136.5710      197.1865 -5.633116      213.2263 -909.9653      518.2134 65.29614 28.73429 68.54012 33.99069 -3.243980      44.50872 
1 1 1 13  20 33 o 147.6714 11.41030 656.6726       98.05382 650.1507       99.84949 833.1237       519.3610 146.8369 11.69119 137.9032 49.92996 8.933624       51.28045 
1 1 1 13  20 34 o 50.16590 18.71053 63.52596       73.81544 57.11842       74.67966 335.5772       486.6114 49.15378 18.71246 104.7109 44.73832 -55.55713      48.49405 
1 1 1 13  20 35 o 112.2798 13.97491 388.7940       90.03790 381.6989       91.36362 627.9698       530.4591 111.0880 14.35904 119.5713 48.50634 -8.483269      50.58702 
1 1 1 13  20 36 o 77.35383 20.13946 197.6146       92.24556 215.2164       94.08384 -239.6599      468.9365 80.77450 19.97386 77.24868 36.89862 3.525818       41.95788 
1 1 1 13  20 37 o 170.5568 11.73250 883.6496       116.6423 883.2307       119.3838 892.4593       547.4333 170.3680 12.02559 129.8485 50.34444 40.51947       51.76077 
1 1 1 13  20 38 o 115.3388 16.92676 424.3662       111.0935 473.2411       113.8363 -553.3825      509.1564 122.2508 16.28181 70.52861 34.73747 51.72221       38.36390 
1 1 1 13  20 39 o 122.4080 16.62647 478.0175       116.2777 471.0375       120.5309 571.7169       441.6093 120.9948 17.49272 108.7905 44.21192 12.20426       47.54670 
1 1 1 13  20 40 o 61.45393 22.76271 113.4189       108.8947 141.8345       111.9997 -377.8524      465.6923 66.11712 23.26891 69.94077 34.19510 -3.823647      41.36118 
1 1 1 13  20 41 o 47.27999 20.46455 11.79910       104.3618 15.46039       107.3388 -51.47163      446.2123 48.22289 20.81319 77.26389 36.64559 -29.04099      42.14367 
1 1 1 13  20 42 o 110.7879 20.13596 412.9014       126.0146 503.0927       134.2676 -253.8312      365.0602 123.1942 19.21003 64.81392 31.36220 58.38026       36.77789 
1 1 1 13  20 43 o 122.4790 19.58626 501.4809       135.9523 546.3168       144.8192 168.6091       394.5947 127.5934 20.01048 81.91141 37.30791 45.68204       42.33556 
1 1 1 13  21 0  o 400.7103 17.23814 4767.040       404.1609 4767.040       404.1609 0.000000       0.000000 400.7103 17.23814 ?        ?        0.000000       17.23814 
1 1 1 13  21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  21 2  f 385.2232 11.50883 4376.213       259.7209 4456.352       374.4214 4301.892       360.5717 387.5903 16.50947 380.8891 16.17830 6.701172       23.11493 
1 1 1 13  21 3  o 210.0519 7.884729 1298.568       96.95994 0.000000       0.000000 1298.568       96.95994 ?        ?        210.0519 7.884729 0.000000       7.884729 
1 1 1 13  21 4  o 536.1306 9.314482 8455.801       292.8733 9616.034       597.4261 8088.767       336.0196 569.0006 17.92516 524.0489 10.93307 44.95172       20.99627 
1 1 1 13  21 5  o 279.8216 8.029366 2303.524       131.6327 0.000000       0.000000 2303.524       131.6327 ?        ?        279.8216 8.029366 0.000000       8.029366 
1 1 1 13  21 6  o 186.9066 7.657516 1028.430       83.76110 906.1359       316.2882 1037.654       86.86240 169.6637 32.97477 187.7200 7.907600 -18.05621      33.90966 
1 1 1 13  21 7  o 242.1022 7.225679 1723.844       102.4806 1708.027       277.8555 1726.335       110.2537 238.6580 20.03627 242.2214 7.771279 -3.563370      21.49058 
1 1 1 13  21 8  o 241.6985 13.05532 1729.837       184.3730 1795.822       269.7223 1671.961       252.6042 244.9946 18.91842 236.4851 18.35686 8.509521       26.36059 
1 1 1 13  21 9  o 174.1869 17.48049 909.8558       176.1635 970.0819       249.1144 849.6119       249.1512 178.1059 24.49725 165.8987 26.49874 12.20712       36.08738 
1 1 1 13  21 10 o 162.5665 26.58182 817.5802       244.6842 817.5802       244.6842 0.000000       0.000000 162.5665 26.58182 ?        ?        0.000000       26.58182 
1 1 1 13  21 11 o 315.0494 15.80830 2950.467       291.1551 2950.467       291.1551 0.000000       0.000000 315.0494 15.80830 ?        ?        0.000000       15.80830 
1 1 1 13  21 12 f 264.9827 16.91796 2094.199       261.5422 2094.199       261.5422 0.000000       0.000000 264.9827 16.91796 ?        ?        0.000000       16.91796 
1 1 1 13  21 13 o 277.3525 16.30519 2291.509       264.0514 2291.509       264.0514 0.000000       0.000000 277.3525 16.30519 ?        ?        0.000000       16.30519 
1 1 1 13  21 14 o 297.8392 8.759802 2612.963       152.8461 3395.833       323.6512 2388.245       173.4008 337.7737 16.38697 284.4656 10.41128 53.30801       19.41462 
1 1 1 13  21 15 o 211.3609 16.59542 1334.974       204.0651 1133.937       248.2239 1754.134       358.4226 193.1802 22.31939 239.5182 25.92858 -46.33797      34.21179 
1 1 1 13  21 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  21 17 o 84.36269 31.84203 167.5645       215.1390 256.7404       263.8626 -9.287115      371.5855 97.95889 35.57172 88.72262 38.50798 9.236275       52.42340 
1 1 1 13  21 18 o 248.4557 17.67114 1845.226       255.8116 1683.966       312.6235 2171.998       445.0224 235.7605 22.89804 265.6179 29.04027 -29.85744      36.98185 
1 1 1 13  21 19 o 437.4343 12.99949 5660.750       333.1254 5434.126       402.1306 6156.428       594.7227 427.5912 16.06427 452.3054 22.49037 -24.71420      27.63833 
1 1 1 13  21 20 o 243.8640 17.33255 1778.002       246.2753 1690.892       290.3022 2001.646       465.1529 236.6779 21.13645 253.2901 32.02800 -16.61218      38.37372 
1 1 1 13  21 21 o 123.8650 31.59834 490.7767       230.2481 394.1518       260.0436 841.4281       495.3811 112.2902 35.37075 158.2229 48.66018 -45.93273      60.15732 
1 1 1 13  21 22 o 449.9360 12.88124 5996.392       339.5563 6021.072       416.1700 5947.245       587.2823 449.7288 15.80320 443.4800 22.65499 6.248779       27.62226 
1 1 1 13  21 23 o 392.5489 8.381326 4537.953       192.9554 4642.041       208.7153 3925.755       506.1744 396.9034 8.966417 358.8303 24.19394 38.07306       25.80200 
1 1 1 13  21 24 o 240.8514 11.40734 1719.695       160.6749 1777.063       169.1151 1187.619       515.0312 244.7484 11.81673 184.4263 47.37055 60.32208       48.82217 
1 1 1 13  21 25 o 157.1030 15.85775 743.8907       144.1112 816.2053       150.5485 -47.86990      498.1503 164.6512 15.78358 97.33025 43.31890 67.32094       46.10476 
1 1 1 13  21 26 o 152.4882 9.589007 689.3063       85.32101 699.1812       86.78706 404.4062       466.1620 153.5641 9.685742 119.9167 46.46731 33.64740       47.46604 
1 1 1 13  21 27 o 92.28714 14.32600 259.6222       75.02548 277.5736       76.00783 -421.4261      468.1642 95.57220 13.97346 79.31625 37.59477 16.25595       40.10766 
1 1 1 13  21 28 o 195.3003 16.15747 1152.442       183.4115 1148.620       198.7540 1174.370       476.0685 194.4378 17.62060 180.8571 45.05188 13.58070       48.37517 
1 1 1 13  21 29 o 79.84194 30.69615 158.2217       202.2716 297.7709       233.9481 -254.9733      402.5624 97.33396 33.67096 77.07627 36.00547 20.25769       49.29632 
1 1 1 13  21 30 o 234.4727 9.761004 1633.840       133.9327 1594.462       141.0833 1993.025       426.0989 231.4100 10.42219 246.0379 30.15964 -14.62788      31.90965 
1 1 1 13  21 31 o 197.3988 10.51084 1163.856       121.2451 1171.218       124.7338 1037.739       516.2552 197.9285 10.78623 157.3251 49.87333 40.60338       51.02638 
1 1 1 13  21 32 o 63.35816 18.90038 126.7122       75.53317 128.2434       76.35009 56.30387       517.7308 63.71626 19.00114 94.95975 43.04744 -31.24350      47.05450 
1 1 1 13  21 33 o 107.4769 13.87656 355.2348       85.42838 353.3347       86.76312 415.5727       488.9153 107.0839 14.16217 109.4528 45.69751 -2.368919      47.84172 
1 1 1 13  21 34 o 93.15707 16.14903 273.4547       85.03329 282.6864       86.15728 -73.46178      528.1550 94.77998 16.07345 88.31279 41.25017 6.467194       44.27113 
1 1 1 13  21 35 o 92.00222 17.23987 270.6367       89.60429 257.0782       91.28661 628.3583       468.8935 89.28183 18.05508 118.3964 46.39540 -29.11452      49.78473 
1 1 1 13  21 36 o 72.31850 20.13095 172.8314       88.50995 174.6786       89.83868 111.7660       516.5390 72.66111 20.30189 91.22212 41.97187 -18.56101      46.62408 
1 1 1 13  21 37 o 89.45219 18.82868 262.3664       95.64795 221.7359       97.87469 1124.954       450.9683 81.42444 20.50960 154.4807 46.20580 -73.05626      50.55313 
1 1 1 13  21 38 o 122.8958 16.23317 479.4982       114.1429 480.8359       117.4215 456.5430       486.4279 122.7809 16.74243 102.3083 44.23214 20.47254       47.29473 
1 1 1 13  21 39 o 114.2002 18.13910 424.5668       117.4304 398.0709       121.3068 819.3832       468.2668 109.6425 19.58365 122.7101 46.82287 -13.06763      50.75333 
1 1 1 13  21 40 o 134.4484 15.63647 573.2272       120.9971 569.8075       126.2655 611.6601       423.2919 133.5056 16.47545 109.5572 43.71650 23.94843       46.71802 
1 1 1 13  21 41 o 157.9112 12.86350 772.4968       118.0993 803.0033       124.0561 477.5241       385.7563 160.7388 13.27806 99.95648 41.05373 60.78233       43.14760 
1 1 1 13  21 42 o 43.23150 19.49195 -26.95744      104.4667 -47.77796      108.8939 213.5912       370.1342 42.31733 19.39682 83.72697 37.29762 -41.40964      42.03986 
1 1 1 13  22 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  22 1  o 483.2734 10.09409 6876.447       286.0952 7306.545       500.5757 6667.802       348.6501 495.9544 17.23606 475.2071 12.52088 20.74738       21.30386 
1 1 1 13  22 2  o 163.0602 8.818815 784.3704       84.02135 0.000000       0.000000 784.3704       84.02135 ?        ?        163.0602 8.818815 0.000000       8.818815 
1 1 1 13  22 3  o 296.3471 7.564713 2582.888       131.3677 2636.238       347.4253 2573.988       141.9029 296.7824 20.07876 295.7608 8.188762 1.021545       21.68438 
1 1 1 13  22 4  o 48.05153 17.49012 56.18680       63.84204 -188.3437      286.9742 68.91903       65.48302 68.30242 31.37436 50.99315 17.80380 17.30927       36.07389 
1 1 1 13  22 5  o 33.83277 15.20092 -29.99446      62.90681 93.59805       267.8574 -37.20918      64.71687 83.80181 34.29052 33.56878 15.21835 50.23304       37.51583 
1 1 1 13  22 6  o 127.6519 9.404937 482.2099       69.91554 180.8871       267.3724 504.3259       72.43589 91.20268 35.23181 130.5467 9.526580 -39.34404      36.49707 
1 1 1 13  22 7  o 392.8088 7.854828 4536.896       180.9541 4404.857       345.6161 4586.759       212.3917 385.2967 15.32553 394.7674 9.173728 -9.470703      17.86139 
1 1 1 13  22 8  f 62.06047 16.10366 118.4968       59.11118 31.94291       253.9917 123.4533       60.78010 77.05987 32.59951 63.31973 16.27801 13.74014       36.43764 
1 1 1 13  22 9  o 163.7072 8.265976 790.3290       79.10514 229.7856       243.5831 856.4177       83.63853 93.61323 34.14996 170.4166 8.394261 -76.80338      35.16651 
1 1 1 13  22 10 o 419.7011 9.305281 5186.148       229.0446 4617.594       344.9591 5634.438       306.3102 394.5100 14.93634 436.7315 11.97033 -42.22150      19.14114 
1 1 1 13  22 11 o 460.3065 15.13131 6287.231       407.9281 6287.231       407.9281 0.000000       0.000000 460.3065 15.13131 ?        ?        0.000000       15.13131 
1 1 1 13  22 12 o 78.75484 32.56852 69.99790       244.9921 69.99790       244.9921 0.000000       0.000000 78.75484 32.56852 ?        ?        0.000000       32.56852 
1 1 1 13  22 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  22 14 o 368.7419 15.35781 4038.662       331.3986 4038.662       331.3986 0.000000       0.000000 368.7419 15.35781 ?        ?        0.000000       15.35781 
1 1 1 13  22 15 o 246.3212 16.39588 1809.411       235.5091 2112.071       298.1501 1307.245       384.0441 265.3927 19.28722 203.6468 33.30554 61.74593       38.48708 
1 1 1 13  22 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  22 17 o 417.0755 16.88306 5176.962       412.1144 5176.962       412.1144 0.000000       0.000000 417.0755 16.88306 ?        ?        0.000000       16.88306 
1 1 1 13  22 18 o 288.1911 16.16607 2473.369       272.1391 2371.128       324.4840 2715.825       499.6856 281.0719 19.81147 297.1437 29.04386 -16.07181      35.15736 
1 1 1 13  22 19 o 51.56013 25.01597 -382.9241      236.3052 -458.3820      279.1016 -191.8975      444.0754 55.65569 27.04559 87.48663 39.74195 -31.83094      48.07168 
1 1 1 13  22 20 o 55.46120 26.19510 -238.0256      223.5306 -169.4798      253.9366 -473.9391      471.0979 63.89006 29.40798 79.68459 37.75261 -15.79453      47.85488 
1 1 1 13  22 21 o 156.7504 26.49565 767.2403       234.9041 747.8179       267.3304 833.0482       492.0814 153.2074 30.82096 156.6855 48.55205 -3.478119      57.50854 
1 1 1 13  22 22 o 444.2108 13.17903 5853.422       342.9593 6125.650       420.1042 5309.484       593.8347 453.2888 15.82699 417.2828 24.37132 36.00598       29.05951 
1 1 1 13  22 23 o 73.57513 30.68222 56.60331       220.0245 100.4573       246.1731 -117.5500      490.5713 80.57539 32.91029 93.95876 42.31240 -13.38337      53.60435 
1 1 1 13  22 24 o 88.97624 31.48438 226.4007       205.2634 197.9617       227.4952 350.9424       476.0725 87.60531 32.81227 117.3687 46.51513 -29.76335      56.92365 
1 1 1 13  22 25 f 109.5822 30.39015 389.2179       202.1230 307.6216       225.3133 725.5169       457.4188 99.53588 33.05659 144.4696 47.05648 -44.93375      57.50696 
1 1 1 13  22 26 o 54.96191 25.55697 -155.8156      199.1285 -60.87212      222.3180 -541.0248      447.8066 64.61626 28.83726 73.48313 35.35115 -8.866875      45.62117 
1 1 1 13  22 27 o 154.0704 8.707874 703.0794       78.36286 679.7466       79.50201 1499.826       464.5737 151.4337 8.992177 209.7340 39.21021 -58.30028      40.22809 
1 1 1 13  22 28 o 139.8048 18.30577 601.6835       146.4909 656.4241       154.6545 123.8516       456.9252 146.0574 18.46669 99.46166 42.93513 46.59571       46.73803 
1 1 1 13  22 29 o 53.75148 17.90023 84.28640       66.05750 83.07691       66.79782 137.9457       444.9220 53.57162 18.00296 97.64140 42.25871 -44.06977      45.93370 
1 1 1 13  22 30 o 183.4564 9.560685 1002.196       102.5112 1004.716       104.9065 948.8915       482.4693 183.6239 9.776668 152.4969 48.19764 31.12695       49.17922 
1 1 1 13  22 31 o 132.0606 11.93444 526.8300       91.43617 548.9979       93.14424 -61.02183      479.6541 134.8418 11.90026 88.00465 40.47475 46.83717       42.18793 
1 1 1 13  22 32 o 75.93931 18.23999 185.4062       80.21310 184.6146       81.07165 222.1867       552.6332 75.73091 18.43044 102.2908 45.57030 -26.55986      49.15621 
1 1 1 13  22 33 o 70.40784 18.95983 160.3557       80.02260 161.9288       80.91376 90.11578       540.6682 70.72881 19.07328 95.18604 43.47543 -24.45723      47.47529 
1 1 1 13  22 34 o 54.11752 19.56370 81.74049       79.69562 113.3264       80.83438 -1015.678      476.4696 60.32775 19.78978 60.92546 30.57418 -0.5977058     36.42000 
1 1 1 13  22 35 o 78.07011 20.07402 201.7782       92.42037 186.7340       93.86563 679.0635       528.7025 75.00211 20.67525 118.4559 48.28751 -43.45383      52.52761 
1 1 1 13  22 36 o 41.98668 18.58391 -14.96049      90.42311 1.112976       92.16428 -428.3483      467.3978 44.16960 19.17433 70.81898 34.54471 -26.64938      39.50939 
1 1 1 13  22 37 o 235.7895 10.54066 1679.603       145.3930 1660.525       152.0202 1884.219       497.8527 234.0673 11.10582 210.4198 41.81631 23.64749       43.26596 
1 1 1 13  22 38 o 82.31186 20.43527 228.9292       98.19158 249.3538       100.5191 -196.8609      458.9545 86.04901 20.25661 74.76595 35.92189 11.28306       41.23970 
1 1 1 13  22 39 o 170.2475 12.68196 893.1302       125.7150 888.8699       131.7963 936.1250       418.6883 169.3836 13.37575 135.6348 45.06247 33.74881       47.00571 
1 1 1 13  22 40 o 41.94993 19.38065 -60.84444      111.7555 -36.14711      116.3403 -355.7957      402.0503 44.88968 20.37196 65.07456 31.80669 -20.18488      37.77145 
1 1 1 13  22 41 o 38.11689 19.38805 -778.1567      234.7047 -718.3795      331.5529 -838.2014      332.2936 50.25355 25.25766 48.15404 24.33647 2.099506       35.07439 
1 1 1 13  22 42 o 41.60734 19.47414 -81.75406      118.7099 -83.99963      126.2343 -64.58442      349.0555 42.92556 20.08812 69.43250 32.77578 -26.50694      38.44196 
1 1 1 13  23 0  o 355.8755 7.680057 3723.484       160.2925 4783.203       419.8439 3542.657       173.4300 400.6579 17.91279 347.0222 8.521508 53.63571       19.83643 
1 1 1 13  23 1  o 232.3687 8.931454 1591.272       121.4901 1708.981       330.6285 1572.898       130.6286 237.2511 24.09581 230.9225 9.666804 6.328598       25.96257 
1 1 1 13  23 2  o 147.2730 9.398138 641.0869       80.75017 0.000000       0.000000 641.0869       80.75017 ?        ?        147.2730 9.398138 0.000000       9.398138 
1 1 1 13  23 3  o 505.6723 9.105328 7526.272       270.0320 8126.089       536.8200 7323.088       312.4380 522.5215 17.54245 498.4492 10.68790 24.07230       20.54188 
1 1 1 13  23 4  o 196.2818 7.890090 1134.760       90.64141 1169.789       316.5247 1131.631       94.60332 194.3028 28.63396 195.9702 8.249702 -1.667450      29.79868 
1 1 1 13  23 5  o 262.9879 7.472498 2034.943       115.1361 2006.144       320.1570 2039.220       123.3913 258.0470 21.34582 263.1995 8.003018 -5.152435      22.79676 
1 1 1 13  23 6  o 253.2592 7.456720 1887.314       110.6344 2189.596       315.0324 1844.789       118.1605 270.0511 20.03378 250.3146 8.059388 19.73656       21.59412 
1 1 1 13  23 7  f 298.6647 7.509135 2624.257       131.4255 2151.084       296.0332 2740.411       146.6723 267.9600 18.95978 305.1114 8.204145 -37.15140      20.65868 
1 1 1 13  23 8  o 229.5714 7.448061 1551.146       100.1466 1715.851       276.4861 1526.274       107.4425 238.8737 19.91686 227.6498 8.060165 11.22391       21.48598 
1 1 1 13  23 9  o 155.9435 8.328320 717.5047       75.89218 265.6845       251.8015 762.6490       79.59337 97.90027 34.84848 160.7713 8.471359 -62.87103      35.86335 
1 1 1 13  23 10 o 157.9953 8.603204 736.7577       79.41694 512.3608       239.9381 764.3658       84.16070 126.6742 32.22504 160.8943 8.954364 -34.22005      33.44598 
1 1 1 13  23 11 f 255.0332 8.215744 1915.466       122.7234 1628.576       270.2097 1990.025       137.7504 232.6184 20.00042 259.8367 9.053282 -27.21829      21.95401 
1 1 1 13  23 12 o 292.2283 17.15260 2547.826       292.6771 2547.826       292.6771 0.000000       0.000000 292.2283 17.15260 ?        ?        0.000000       17.15260 
1 1 1 13  23 13 o 378.2787 16.78689 4260.428       371.4920 4260.428       371.4920 0.000000       0.000000 378.2787 16.78689 ?        ?        0.000000       16.78689 
1 1 1 13  23 14 o 246.6945 20.26768 1830.624       290.6501 1830.624       290.6501 0.000000       0.000000 246.6945 20.26768 ?        ?        0.000000       20.26768 
1 1 1 13  23 15 o 593.1322 12.89476 10396.89       448.5547 9407.871       555.0549 12258.64       761.5417 562.4361 16.84620 640.0847 20.31215 -77.64856      26.38897 
1 1 1 13  23 16 o 450.9265 13.05269 6015.863       344.8252 6267.233       466.6088 5713.400       511.8360 458.7004 17.37638 436.8142 20.03279 21.88617       26.51888 
1 1 1 13  23 17 o 107.4333 37.20244 337.2826       285.6259 337.2826       285.6259 0.000000       0.000000 107.4333 37.20244 ?        ?        0.000000       37.20244 
1 1 1 13  23 18 o 162.4653 26.26300 819.3397       241.7059 877.0870       280.4839 652.7335       476.4178 167.0192 29.72423 142.5654 48.07991 24.45375       56.52617 
1 1 1 13  23 19 f 114.5040 34.10809 416.9711       246.1257 55.95209       283.4432 1523.618       496.2556 82.15232 34.57878 215.6223 40.73538 -133.4699      53.43279 
1 1 1 13  23 20 o 310.9415 14.88910 2878.018       270.7284 2765.550       310.0552 3238.925       555.4201 303.9399 17.46762 323.0428 29.64672 -19.10291      34.40997 
1 1 1 13  23 21 o 136.5740 31.06507 601.0153       243.1893 505.8702       279.4269 898.1359       493.7890 124.5354 36.14294 160.9988 48.39463 -36.46342      60.40158 
1 1 1 13  23 22 o 173.9415 23.82833 936.7533       236.6962 852.1439       267.4752 1242.223       508.2279 163.7878 28.90141 189.0702 46.22665 -25.28239      54.51783 
1 1 1 13  23 23 o 303.6083 14.01210 2747.528       248.8254 2590.099       281.9359 3302.166       529.1907 293.8721 16.42377 325.3422 28.00689 -31.47012      32.46731 
1 1 1 13  23 24 o 227.5023 17.72072 1563.293       234.5746 1618.540       265.4301 1366.249       501.2770 230.6842 19.81089 198.4081 44.21069 32.27608       48.44643 
1 1 1 13  23 25 o 353.6680 13.51104 3728.420       279.7277 3744.381       325.5417 3683.384       546.8505 353.4016 15.74634 343.0208 27.41091 10.38071       31.61179 
1 1 1 13  23 26 o 244.4737 16.59814 1804.380       236.5698 1741.328       268.6293 2022.248       499.3474 238.9303 19.33548 247.1328 35.46767 -8.202484      40.39575 
1 1 1 13  23 27 o 152.3606 25.49981 741.3795       219.8106 750.6368       247.7760 707.1740       476.2843 151.6585 28.91253 139.0141 48.04511 12.64441       56.07376 
1 1 1 13  23 28 o 56.25915 26.22596 -157.1080      211.7782 -60.81122      236.2187 -551.5566      478.0831 65.56210 29.45658 74.32911 35.94799 -8.767014      46.47525 
1 1 1 13  23 29 o 82.41936 31.31669 189.8036       208.9200 332.3611       235.5901 -335.0569      452.0473 99.44608 33.80834 77.23226 36.70380 22.21382       49.90164 
1 1 1 13  23 30 o 117.8961 11.43898 419.5604       78.10004 417.6959       79.18101 486.4531       474.2724 117.5740 11.63553 115.6200 46.22783 1.953995       47.66967 
1 1 1 13  23 31 o 22.74985 11.36309 -163.6643      62.30578 -174.3827      62.75007 585.2130       524.5116 22.36853 11.20669 120.2660 48.43190 -97.89751      49.71155 
1 1 1 13  23 32 o 38.63526 17.09054 -17.09092      76.36610 -4.570308      77.14232 -629.8790      539.6785 40.36052 17.53135 74.31669 36.43404 -33.95617      40.43250 
1 1 1 13  23 33 o 89.52132 18.80260 259.4882       95.57185 248.5690       97.59064 515.2483       472.3141 87.28522 19.55072 112.1597 45.67025 -24.87444      49.67899 
1 1 1 13  23 34 o 184.1112 10.96492 1023.688       117.8595 1006.291       120.8576 1361.337       532.4386 182.3428 11.35786 167.2990 50.24488 15.04382       51.51261 
1 1 1 13  23 35 o 51.38327 20.29925 57.90662       90.39978 67.14493       92.22023 -169.1843      457.2249 53.06847 20.63884 77.59829 36.88795 -24.52982      42.26917 
1 1 1 13  23 36 o 128.8233 15.13940 520.2585       112.2002 522.0045       115.5473 491.4245       469.5578 128.7820 15.61746 105.1675 44.39917 23.61459       47.06582 
1 1 1 13  23 37 o 85.56360 21.68439 250.1339       108.9342 296.8063       113.0704 -353.0098      406.4708 93.67428 21.09106 66.75834 32.48579 26.91594       38.73190 
1 1 1 13  23 38 o 62.70287 23.53642 117.5190       117.1867 115.4175       121.0845 148.5927       465.6094 62.72952 23.83987 86.06851 39.69024 -23.33899      46.29962 
1 1 1 13  23 39 f 91.69566 22.16422 291.6577       117.8615 266.6050       122.0878 634.8377       451.8616 86.90092 23.42641 109.0417 44.56837 -22.14077      50.35014 
1 1 1 13  23 40 o 104.0535 20.98872 369.4304       123.6593 420.2723       133.5914 65.14771       326.8180 110.9265 21.30915 74.33212 33.89330 36.59441       40.03543 
1 1 1 13  23 41 o 168.4922 14.08152 890.1820       137.8776 1026.197       150.9991 208.0317       338.1592 180.7408 14.36321 81.97366 36.12539 98.76715       38.87603 
1 1 1 13  24 0  o 293.6398 11.67575 2548.794       200.6704 3378.832       381.6586 2231.658       235.9115 335.8971 19.45724 274.0718 14.73103 61.82523       24.40465 
1 1 1 13  24 1  f 314.8568 20.13916 2974.509       369.9320 2974.509       369.9320 0.000000       0.000000 314.8568 20.13916 ?        ?        0.000000       20.13916 
1 1 1 13  24 2  o 188.8118 8.823156 1051.536       97.43185 0.000000       0.000000 1051.536       97.43185 ?        ?        188.8118 8.823156 0.000000       8.823156 
1 1 1 13  24 3  o 456.9182 8.536384 6143.430       228.7509 6945.994       493.8450 5924.195       258.1106 482.8768 17.46706 448.4404 9.814101 34.43643       20.03534 
1 1 1 13  24 4  o 191.5803 8.095137 1081.581       90.74979 1065.140       311.2152 1083.109       94.87288 184.6582 29.74746 191.6724 8.460643 -7.014206      30.92723 
1 1 1 13  24 5  o 112.7637 11.17121 378.7354       72.90881 259.7391       278.2007 387.5110       75.54941 99.23578 36.44853 114.0308 11.45174 -14.79502      38.20520 
1 1 1 13  24 6  o 262.8201 7.617490 2032.938       117.2904 1584.061       306.5492 2109.921       126.9504 228.3646 23.21085 267.6915 8.095584 -39.32690      24.58215 
1 1 1 13  24 7  o 101.4714 12.72074 308.9461       74.04278 17.37080       258.1771 335.0771       77.28946 76.38901 32.61103 105.7382 12.71848 -29.34920      35.00341 
1 1 1 13  24 8  o 288.9958 7.663743 2457.811       129.7775 2483.700       302.4372 2451.968       143.6777 288.2329 17.98082 288.5340 8.499935 -0.3010864     19.88866 
1 1 1 13  24 9  o 286.6255 7.575681 2417.465       127.2349 2145.045       283.6732 2486.071       142.3576 267.7368 18.17362 290.5574 8.362768 -22.82068      20.00541 
1 1 1 13  24 10 o 140.7040 33.04134 633.5850       267.9734 633.5850       267.9734 0.000000       0.000000 140.7040 33.04134 ?        ?        0.000000       33.04134 
1 1 1 13  24 11 o 349.0742 16.24402 3625.873       331.6419 3625.873       331.6419 0.000000       0.000000 349.0742 16.24402 ?        ?        0.000000       16.24402 
1 1 1 13  24 12 o 394.8108 16.59377 4638.502       383.3676 4638.502       383.3676 0.000000       0.000000 394.8108 16.59377 ?        ?        0.000000       16.59377 
1 1 1 13  24 13 f 386.0960 16.50474 4435.401       372.8649 4435.401       372.8649 0.000000       0.000000 386.0960 16.50474 ?        ?        0.000000       16.50474 
1 1 1 13  24 14 o 541.5808 17.22143 8731.155       546.2993 8731.155       546.2993 0.000000       0.000000 541.5808 17.22143 ?        ?        0.000000       17.22143 
1 1 1 13  24 15 o 302.2607 20.48110 2745.473       360.9219 2745.473       360.9219 0.000000       0.000000 302.2607 20.48110 ?        ?        0.000000       20.48110 
1 1 1 13  24 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  24 17 o 347.4906 17.21363 3605.261       349.7132 3605.261       349.7132 0.000000       0.000000 347.4906 17.21363 ?        ?        0.000000       17.21363 
1 1 1 13  24 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  24 19 o 117.4320 34.91302 443.3095       258.0750 533.2180       295.9918 158.2737       527.0223 127.8629 37.22503 111.0280 46.96354 16.83489       59.92726 
1 1 1 13  24 20 o 306.4268 15.58639 2804.380       279.1862 2461.369       322.9861 3818.063       555.2397 285.5886 19.39894 351.5041 27.14407 -65.91547      33.36344 
1 1 1 13  24 21 o 125.0402 30.55977 506.4964       222.1782 575.4977       248.1503 227.6586       498.8410 132.8692 32.18821 111.5503 46.33253 21.31896       56.41616 
1 1 1 13  24 22 o 221.8400 16.52848 1480.163       213.4966 1549.792       234.7075 1146.322       513.9268 226.5769 17.80582 179.5393 47.91652 47.03758       51.11790 
1 1 1 13  24 23 o 49.47549 23.86100 -297.8983      207.0446 -157.8227      230.9721 -870.8291      467.1208 60.23055 27.83890 67.34434 33.18902 -7.113789      43.31877 
1 1 1 13  24 24 o 54.56720 25.86228 -236.6203      221.4785 -249.8447      251.1454 -190.3553      469.7464 58.69378 27.73518 87.65941 40.21963 -28.96563      48.85549 
1 1 1 13  24 25 o 158.6274 26.15835 801.0313       234.8792 777.9250       268.5959 876.1237       484.2087 154.0607 30.80468 154.3067 48.21732 -0.2459869     57.21747 
1 1 1 13  24 26 o 202.6083 18.90842 1257.636       222.0848 1377.284       253.2930 859.8661       461.8359 211.2192 20.71352 151.8537 47.03318 59.36551       51.39231 
1 1 1 13  24 27 o 70.34934 29.52281 61.15271       205.6550 86.15156       231.2226 -33.50364      449.9301 75.52289 31.47068 89.72004 40.45220 -14.19715      51.25216 
1 1 1 13  24 28 o 62.58435 27.90894 -36.55822      207.8163 165.8293       230.7442 -905.8185      478.2048 81.77444 32.39144 65.33894 32.44588 16.43550       45.84692 
1 1 1 13  24 29 o 83.82983 31.70890 206.6507       213.6076 336.4306       236.0827 -379.2503      501.6173 98.97922 33.83972 79.15697 37.90530 19.82224       50.81278 
1 1 1 13  24 30 o 62.15451 27.64390 -20.51320      202.5031 -111.3425      220.2581 475.7050       514.8199 58.97363 27.23226 113.8858 47.16484 -54.91216      54.46208 
1 1 1 13  24 31 o 189.8062 20.15485 1144.105       220.9319 1157.106       246.5766 1091.175       497.5268 189.0145 22.69715 156.1825 48.88670 32.83202       53.89870 
1 1 1 13  24 32 o 147.8461 25.49684 736.1276       213.0952 801.4615       233.9352 417.6707       516.4780 153.2229 27.01995 107.3828 45.99029 45.84018       53.34027 
1 1 1 13  24 33 o 210.3267 9.065289 1322.864       111.5593 1310.565       114.3055 1569.625       512.0130 209.2209 9.339156 188.2037 46.62895 21.01718       47.55500 
1 1 1 13  24 34 o 86.28072 19.08184 244.3522       93.99220 260.4686       96.07160 -115.9046      454.2209 89.20323 18.94933 79.29573 37.41864 9.907501       41.94320 
1 1 1 13  24 35 o 117.1527 16.64522 436.5343       111.1499 416.1879       114.2811 792.6467       478.1062 113.7855 17.70055 124.3686 47.34674 -10.58308      50.54724 
1 1 1 13  24 36 o 60.41331 22.60218 105.6523       107.8819 151.1275       112.1252 -461.2890      395.8994 67.89713 23.31768 63.10938 30.99359 4.787750       38.78552 
1 1 1 13  24 37 o 82.06294 22.56984 233.7606       112.0016 242.9257       115.8440 102.4368       438.5055 83.47180 22.95230 83.25324 38.43687 0.2185593      44.76831 
1 1 1 13  24 38 o 54.88430 22.53434 60.62226       116.1747 67.50901       120.1667 -37.89307      454.4950 56.25335 22.98686 78.34650 37.10767 -22.09315      43.65060 
1 1 1 13  24 39 o 90.70375 22.92347 289.9401       121.9781 346.8672       129.3035 -170.2071      367.6200 99.62428 22.64569 67.64388 32.40754 31.98041       39.53575 
1 1 1 13  24 40 o 62.38464 23.78401 117.1479       120.7566 192.5736       127.2588 -564.8795      382.6742 73.85580 24.84907 58.05655 28.86240 15.79925       38.08562 
1 1 1 13  25 0  o 468.6777 10.36844 6475.644       284.9955 0.000000       0.000000 6475.644       284.9955 ?        ?        468.6777 10.36844 0.000000       10.36844 
1 1 1 13  25 1  o 290.2769 9.292214 2483.933       157.9874 2553.016       357.4049 2467.156       176.1295 291.1642 21.07273 289.1007 10.40498 2.063446       23.50156 
1 1 1 13  25 2  o 88.37079 16.15382 238.9586       80.63689 0.000000       0.000000 238.9586       80.63689 ?        ?        88.37079 16.15382 0.000000       16.15382 
1 1 1 13  25 3  o 191.8039 8.191132 1084.321       91.92861 1338.930       324.7775 1062.145       95.84835 208.3309 27.23297 189.7747 8.634455 18.55615       28.56901 
1 1 1 13  25 4  o 149.2731 9.649799 659.1156       84.02667 788.6602       298.4016 647.9590       87.57020 157.0636 33.42219 147.9299 10.15530 9.133713       34.93097 
1 1 1 13  25 5  o 152.3978 9.651477 686.8743       85.81956 1013.107       304.2352 658.6716       89.45222 179.8725 29.88843 149.1357 10.29034 30.73680       31.61027 
1 1 1 13  25 6  o 268.9444 7.751232 2129.016       122.1323 2283.428       318.1541 2102.329       132.2660 275.7454 19.80528 267.1572 8.452355 8.588226       21.53349 
1 1 1 13  25 7  o 256.4494 7.941923 1936.286       119.3037 1940.623       312.6839 1935.547       129.0678 253.6588 21.21273 256.3120 8.598323 -2.653198      22.88910 
1 1 1 13  25 8  o 173.4260 9.328314 888.2052       94.52935 763.9144       280.8166 904.0891       100.3881 155.0757 31.94041 174.9075 9.825912 -19.83174      33.41763 
1 1 1 13  25 9  o 110.9880 28.27086 389.1008       184.5017 349.2457       280.4734 419.5035       244.9659 108.4566 36.88826 115.2133 33.95410 -6.756668      50.13606 
1 1 1 13  25 10 o 92.69498 35.82503 190.6422       276.5466 190.6422       276.5466 0.000000       0.000000 92.69498 35.82503 ?        ?        0.000000       35.82503 
1 1 1 13  25 11 o 388.0577 17.35658 4487.819       394.0130 4487.819       394.0130 0.000000       0.000000 388.0577 17.35658 ?        ?        0.000000       17.35658 
1 1 1 13  25 12 o 261.7518 22.86715 2074.099       347.5151 2074.099       347.5151 0.000000       0.000000 261.7518 22.86715 ?        ?        0.000000       22.86715 
1 1 1 13  25 13 o 377.7943 17.07356 4253.450       377.3169 4253.450       377.3169 0.000000       0.000000 377.7943 17.07356 ?        ?        0.000000       17.07356 
1 1 1 13  25 14 o 508.1071 16.74453 7686.075       498.2935 7686.075       498.2935 0.000000       0.000000 508.1071 16.74453 ?        ?        0.000000       16.74453 
1 1 1 13  25 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  25 16 o 90.61240 33.14313 217.2936       229.6578 5.705865       266.6306 825.4803       452.0465 76.38501 32.88420 156.4415 46.12973 -80.05652      56.65089 
1 1 1 13  25 17 o 174.2670 24.74726 938.7073       245.8222 948.4586       286.1475 911.2387       480.2627 173.5492 29.14574 163.1709 47.39183 10.37836       55.63686 
1 1 1 13  25 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  25 19 o 190.8022 22.41617 1117.693       246.0600 890.2929       279.5134 1900.758       518.6887 167.2328 29.58109 240.9068 37.96755 -73.67395      48.13082 
1 1 1 13  25 20 o 75.88313 31.76022 59.51700       237.0387 78.09172       264.3658 -16.65208      535.3447 80.69602 33.64040 101.8460 45.14126 -21.14993      56.29752 
1 1 1 13  25 21 o 120.4725 31.58942 474.3611       225.8925 351.0594       254.5539 931.2717       490.0168 105.6731 35.13741 161.6572 48.11983 -55.98410      59.58319 
1 1 1 13  25 22 o 96.47962 31.38960 290.9835       203.5690 419.2187       226.8654 -238.9655      461.1919 113.1951 32.48051 85.19413 39.36337 28.00095       51.03389 
1 1 1 13  25 23 o 309.1763 13.54151 2852.499       244.9452 2694.568       276.9009 3420.715       525.2285 299.5326 15.81875 330.1448 27.37229 -30.61224      31.61448 
1 1 1 13  25 24 o 106.7973 32.23146 375.0739       218.7125 280.7771       240.5252 825.3693       525.6065 96.23669 34.07893 149.0934 50.50028 -52.85675      60.92333 
1 1 1 13  25 25 o 130.8688 30.15627 568.6759       226.6968 541.5550       253.8663 675.4247       503.6565 126.2431 33.67042 136.0829 49.18319 -9.839821      59.60439 
1 1 1 13  25 26 o 59.20365 27.03415 -96.98137      208.8928 -164.7363      231.1143 205.3993       488.2402 58.81964 27.41206 103.7656 44.58302 -44.94595      52.33609 
1 1 1 13  25 27 o 124.4639 29.66352 527.1070       213.4477 642.5086       236.1685 12.43467       498.7482 137.4567 30.12896 93.73840 42.39634 43.71832       52.01157 
1 1 1 13  25 28 o 119.0135 30.81359 493.8148       216.7463 366.2610       237.9547 1115.202       525.2048 102.3728 33.97039 160.4380 50.22950 -58.06521      60.63819 
1 1 1 13  25 29 o 64.59180 28.43349 1.456616       208.9411 -126.0613      232.0795 546.9971       480.0259 59.83701 27.74369 117.7868 46.69923 -57.94978      54.31879 
1 1 1 13  25 30 o 113.6226 30.37212 457.8047       206.2795 600.4706       224.6250 -310.1255      521.1453 130.8198 29.92807 80.95943 38.73281 49.86034       48.94814 
1 1 1 13  25 31 o 55.77320 25.97844 -123.7072      207.1322 -10.91704      228.7080 -638.3121      488.5204 65.47788 29.23344 69.36469 34.13734 -3.886803      44.94388 
1 1 1 13  25 32 o 139.7460 26.61160 673.9328       210.1395 786.6700       235.3286 230.2700       466.8395 150.3163 27.71513 94.82401 42.08480 55.49229       50.39106 
1 1 1 13  25 33 o 76.26190 30.44723 165.5283       205.4378 119.8284       223.1237 419.9988       526.5099 73.49425 30.79080 103.9583 45.46712 -30.46404      54.91204 
1 1 1 13  25 34 o 134.4075 26.07837 630.2815       198.1501 552.6906       213.9043 1099.580       526.0638 122.3806 30.03119 142.8742 50.41714 -20.49361      58.68356 
1 1 1 13  25 35 o 50.50665 24.11636 -183.2730      199.9368 -253.9903      225.4650 77.03845       432.5764 51.12624 24.71669 83.17928 38.32133 -32.05304      45.60087 
1 1 1 13  25 36 o 96.54273 17.71223 304.2724       96.59212 329.4675       98.94570 -206.5146      445.5115 100.7306 17.37644 73.20638 35.22886 27.52422       39.28120 
1 1 1 13  25 37 o 39.39726 18.60569 -99.73831      112.7074 -75.38000      116.1923 -487.6307      463.6705 41.85486 19.48255 66.84185 32.96514 -24.98699      38.29191 
1 1 1 13  25 38 o 55.97913 22.98392 66.39889       120.8569 92.56033       126.4567 -209.5251      410.6820 59.81833 23.88602 69.56448 33.56342 -9.746151      41.19520 
1 1 1 13  25 39 o 51.58698 23.03835 -7.715324      142.1530 -52.72008      151.4859 324.1351       411.3525 49.63666 22.79837 90.18781 39.79044 -40.55115      45.85896 
1 1 1 13  26 0  o 400.5733 8.313821 4721.470       195.3139 5449.694       462.6584 4563.545       215.4538 427.0857 18.51518 393.6414 9.332604 33.44434       20.73425 
1 1 1 13  26 1  o 137.5711 12.32485 563.5298       98.38712 0.000000       0.000000 563.5298       98.38712 ?        ?        137.5711 12.32485 0.000000       12.32485 
1 1 1 13  26 2  o 196.6543 8.939163 1140.842       102.8285 811.6381       351.4125 1171.669       107.5353 157.7989 38.35213 199.2604 9.226995 -41.46150      39.44646 
1 1 1 13  26 3  o 49.32095 19.46554 41.57797       83.05335 414.3002       331.4341 16.60498       85.79060 117.2778 40.09529 46.26711 19.21546 71.01067       44.46196 
1 1 1 13  26 4  o 150.8178 10.71468 674.0707       94.15537 764.7675       326.1405 665.8243       98.34271 153.6555 36.69762 149.8030 11.27642 3.852539       38.39106 
1 1 1 13  26 5  o 303.1882 8.354167 2706.736       148.4061 1903.973       347.2899 2886.075       164.1484 250.2923 23.95070 312.9838 8.951805 -62.69148      25.56894 
1 1 1 13  26 6  o 170.5261 10.09784 859.8820       100.5359 940.2877       325.0271 851.3752       105.7205 171.9188 33.44053 169.5930 10.68349 2.325790       35.10564 
1 1 1 13  26 7  o 450.0216 8.877309 5961.265       234.2962 5959.487       457.4037 5961.897       272.8029 447.1968 17.47379 449.7407 10.34275 -2.543915      20.30532 
1 1 1 13  26 8  f 132.3671 12.74791 522.4758       97.73978 652.3278       316.7141 508.8072       102.7553 141.8501 37.50478 130.4512 13.63189 11.39890       39.90535 
1 1 1 13  26 9  o 276.5069 8.483378 2251.899       137.4078 1677.955       318.3958 2383.260       152.3228 235.0414 23.40880 284.3644 9.145432 -49.32306      25.13187 
1 1 1 13  26 10 o 267.9595 14.96692 2135.077       234.2734 2087.093       344.7856 2176.230       319.3048 262.6116 22.60623 268.9637 20.39437 -6.352051      30.44621 
1 1 1 13  26 11 o 203.3755 27.84759 1280.079       323.4380 1280.079       323.4380 0.000000       0.000000 203.3755 27.84759 ?        ?        0.000000       27.84759 
1 1 1 13  26 12 o 238.4290 22.09962 1722.295       305.5090 1722.295       305.5090 0.000000       0.000000 238.4290 22.09962 ?        ?        0.000000       22.09962 
1 1 1 13  26 13 o 325.6003 17.74188 3170.019       337.5132 3170.019       337.5132 0.000000       0.000000 325.6003 17.74188 ?        ?        0.000000       17.74188 
1 1 1 13  26 14 o 336.4836 18.68848 3394.989       367.3492 3394.989       367.3492 0.000000       0.000000 336.4836 18.68848 ?        ?        0.000000       18.68848 
1 1 1 13  26 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  26 16 o 239.1019 18.18159 1720.147       253.0446 1715.946       298.3741 1730.909       477.5587 237.5611 21.65362 231.5051 36.37143 6.055908       42.32919 
1 1 1 13  26 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  26 18 o 122.2186 37.23188 490.1819       290.8990 490.1819       290.8990 0.000000       0.000000 122.2186 37.23188 ?        ?        0.000000       37.23188 
1 1 1 13  26 19 o 160.5735 26.91963 814.8984       244.5450 942.0161       276.9854 365.5749       520.7549 172.2419 28.40961 120.4063 48.33818 51.83559       56.06858 
1 1 1 13  26 20 o 109.2222 32.88549 386.9041       227.8729 373.9345       259.9534 429.9376       473.5168 108.2800 35.48700 121.7820 46.92812 -13.50198      58.83515 
1 1 1 13  26 21 o 52.36003 25.08212 -280.9948      220.0608 -338.8638      246.1190 -50.30188      491.4044 54.21045 26.11206 95.68303 42.77563 -41.47258      50.11581 
1 1 1 13  26 22 o 350.9653 13.17855 3672.855       270.7761 3479.275       310.1640 4293.136       555.2063 340.4598 15.57496 371.1498 25.66476 -30.69003      30.02098 
1 1 1 13  26 23 o 136.9149 27.44270 607.1224       212.6764 622.6156       237.5353 544.5071       477.5274 137.4179 30.29080 127.3596 47.57204 10.05836       56.39709 
1 1 1 13  26 24 o 117.9160 30.00481 463.7827       207.9768 507.8923       233.2161 292.4436       459.6425 122.6337 32.06892 108.4777 44.71043 14.15600       55.02216 
1 1 1 13  26 25 o 56.05842 25.87657 -120.4582      198.6091 -124.3550      221.6632 -104.5936      447.2534 59.48066 27.41355 86.01691 39.38342 -26.53625      47.98496 
1 1 1 13  26 26 o 88.26019 31.56425 245.1335       206.8155 258.5566       232.2730 193.7705       454.3570 90.94641 33.32069 99.15664 42.80893 -8.210228      54.24825 
1 1 1 13  26 27 o 54.75702 25.47688 -131.2484      198.3437 -141.7188      219.4522 -84.54182      463.4981 57.44812 26.75231 85.81401 39.58265 -28.36589      47.77523 
1 1 1 13  26 28 o 171.7231 22.80746 953.6368       224.0233 1025.903       251.6063 677.1909       492.1075 176.6189 24.98735 126.2305 48.03990 50.38845       54.14980 
1 1 1 13  26 29 o 56.11685 26.40685 -168.7504      223.3834 39.65873       251.0174 -962.0341      489.7335 71.85630 31.41123 63.67398 31.81207 8.182320       44.70652 
1 1 1 13  26 30 o 52.93240 25.03653 -173.3652      205.5631 -190.3541      224.5639 -85.52654      510.6229 54.93929 26.03956 86.07933 40.32136 -31.14004      47.99865 
1 1 1 13  26 31 o 87.41234 31.54903 264.9263       207.1513 266.7568       232.9393 258.0053       452.9497 88.23833 33.17038 95.67050 41.99768 -7.432167      53.51709 
1 1 1 13  26 32 o 82.04517 30.73997 223.9972       199.7016 328.7614       217.7331 -331.0855      501.1835 94.28329 32.48911 76.02689 36.77807 18.25640       49.07310 
1 1 1 13  26 33 o 65.05344 28.39828 42.23410       204.5592 -4.714133      223.3535 286.5075       509.4729 63.89290 28.68004 96.14314 43.22292 -32.25023      51.87259 
1 1 1 13  26 34 o 67.50049 29.14692 72.01551       210.6968 29.11829       233.9051 256.5721       485.1655 66.73605 29.69411 92.72715 41.88880 -25.99110      51.34600 
1 1 1 13  26 35 o 183.7334 20.16537 1110.431       213.7259 1138.398       242.5215 1013.192       452.2148 183.0854 23.09949 139.0364 46.84262 44.04903       52.22851 
1 1 1 13  26 36 o 65.33286 28.88412 44.00487       217.8295 101.2424       249.3650 -140.3338      447.5104 72.00875 31.39594 74.79252 35.81194 -2.783768      47.62562 
1 1 1 13  26 37 o 56.28447 26.80829 -166.4973      243.8846 -285.2078      296.0507 84.18694       430.2147 57.57772 27.95068 80.73321 37.54884 -23.15548      46.80979 
1 1 1 13  26 38 o 75.94948 31.71748 177.9262       235.6167 183.7472       288.2951 166.2173       408.8819 78.77614 34.05527 82.59870 37.75709 -3.822563      50.84643 
1 1 1 13  26 39 o 65.82494 29.72342 31.24984       243.9820 161.7302       310.3052 -180.0309      394.8630 77.83076 34.43882 68.54967 33.03293 9.281090       47.72009 
1 1 1 13  27 0  o 446.9748 8.962023 5881.731       234.9306 5680.368       479.1502 5945.460       269.5549 435.9627 18.78417 449.1202 10.23373 -13.15750      21.39099 
1 1 1 13  27 1  o 285.2277 23.67600 2466.728       392.4833 2466.728       392.4833 0.000000       0.000000 285.2277 23.67600 ?        ?        0.000000       23.67600 
1 1 1 13  27 2  o 202.7229 11.69998 1217.154       138.5127 950.1526       412.5439 1251.077       147.0488 169.7669 41.73390 205.4390 12.26050 -35.67216      43.49757 
1 1 1 13  27 3  o 133.2140 13.97899 530.9426       107.5884 0.000000       0.000000 530.9426       107.5884 ?        ?        133.2140 13.97899 0.000000       13.97899 
1 1 1 13  27 4  o 317.0625 8.235521 2959.634       153.0096 3901.750       427.5920 2821.281       163.8599 360.6180 20.29965 309.4313 9.039069 51.18668       22.22118 
1 1 1 13  27 5  o 371.1741 8.577813 4054.564       186.7260 4221.985       430.5506 4015.779       207.2289 375.4240 19.62284 369.1075 9.581077 6.316528       21.83696 
1 1 1 13  27 6  o 209.9962 9.976973 1302.395       122.5228 1109.678       358.7489 1327.842       130.3612 186.8064 33.99732 211.9587 10.51976 -25.15233      35.58768 
1 1 1 13  27 7  o 143.7417 12.54320 615.1557       104.6824 550.1634       334.6877 622.2033       110.2121 130.8454 39.95095 144.4614 13.15256 -13.61598      42.06030 
1 1 1 13  27 8  o 89.36913 19.03852 247.2215       96.72915 41.14912       330.5627 266.5191       101.1569 86.90411 36.99389 92.82976 19.21406 -5.925644      41.68607 
1 1 1 13  27 9  o 262.4815 15.01110 2050.253       230.1162 2026.631       359.7539 2066.611       299.3703 258.0481 24.04823 262.1909 19.61094 -4.142761      31.03073 
1 1 1 13  27 10 o 239.0276 16.04842 1705.603       223.6695 1352.921       340.1305 1974.318       296.8926 208.6597 28.54163 256.0657 19.92633 -47.40598      34.80924 
1 1 1 13  27 11 o 311.8814 19.16807 2920.538       348.9115 2920.538       348.9115 0.000000       0.000000 311.8814 19.16807 ?        ?        0.000000       19.16807 
1 1 1 13  27 12 o 274.0895 20.15237 2265.544       321.6786 2265.544       321.6786 0.000000       0.000000 274.0895 20.15237 ?        ?        0.000000       20.15237 
1 1 1 13  27 13 o 139.5813 37.16516 640.0277       309.6259 640.0277       309.6259 0.000000       0.000000 139.5813 37.16516 ?        ?        0.000000       37.16516 
1 1 1 13  27 14 f 283.5311 19.60939 2424.893       324.0647 2424.893       324.0647 0.000000       0.000000 283.5311 19.60939 ?        ?        0.000000       19.60939 
1 1 1 13  27 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  27 16 o 204.0231 21.58389 1273.427       254.3501 1034.751       289.1331 2090.237       534.8760 181.0573 28.14265 252.9986 37.15446 -71.94121      46.60968 
1 1 1 13  27 17 o 269.6825 17.04730 2186.780       268.2445 2237.849       317.1940 2058.552       502.6212 271.5501 20.05862 252.0486 34.94064 19.50154       40.28892 
1 1 1 13  27 18 o 327.6981 17.77646 3234.932       340.3616 3234.932       340.3616 0.000000       0.000000 327.6981 17.77646 ?        ?        0.000000       17.77646 
1 1 1 13  27 19 o 80.08174 32.12151 122.4421       229.7455 240.3050       266.7265 -216.4005      452.2480 94.53771 35.50389 85.12783 39.20601 9.409882       52.89270 
1 1 1 13  27 20 o 64.26187 28.90380 -78.46151      228.1291 -37.35988      257.5902 -227.9423      491.2386 71.11488 31.42651 88.11259 40.68110 -16.99770      51.40600 
1 1 1 13  27 21 o 267.0798 15.78238 2147.109       246.1068 1967.847       278.2987 2790.274       527.1425 254.2778 18.79458 294.3966 30.99580 -40.11874      36.24881 
1 1 1 13  27 22 o 55.80238 25.94243 -151.9228      205.0158 -124.6434      230.1716 -256.6589      451.0062 61.36776 28.15543 82.06552 38.26132 -20.69777      47.50428 
1 1 1 13  27 23 o 93.63398 31.20730 281.4016       200.7706 362.2316       227.1610 -7.102503      429.1642 104.1684 33.09016 89.62081 40.02655 14.54756       51.93345 
1 1 1 13  27 24 o 88.92124 31.50582 246.8969       205.5990 221.6640       230.1450 346.6205       457.5275 87.54636 32.95781 109.2843 44.77794 -21.73798      55.59929 
1 1 1 13  27 25 o 107.4432 30.67490 398.2644       202.8386 494.4166       225.2508 -14.06315      466.4530 119.0946 31.69436 89.72842 40.74876 29.36618       51.62358 
1 1 1 13  27 26 o 69.34850 29.14227 71.04012       200.8104 97.99648       223.8277 -40.17430      454.6359 74.18728 30.94255 86.71120 39.70349 -12.52393      50.33695 
1 1 1 13  27 27 o 146.1248 27.40094 722.8948       226.1982 743.1000       254.3547 646.4898       494.6167 145.7605 30.72430 123.7438 47.88786 22.01678       56.89666 
1 1 1 13  27 28 o 88.58767 32.22173 260.5693       216.6259 229.0795       246.3432 367.9757       454.9572 86.66048 33.72388 104.7573 43.93338 -18.09681      55.38449 
1 1 1 13  27 29 o 111.4977 32.03157 455.5589       220.5119 741.6016       251.6020 -492.0431      457.9432 144.2424 30.68605 70.16531 34.21875 74.07708       45.96255 
1 1 1 13  27 30 o 125.7357 28.46543 560.7837       205.0043 593.4367       230.2723 436.0128       450.1288 127.2973 31.11146 105.1492 43.87004 22.14818       53.78200 
1 1 1 13  27 31 o 55.52616 25.95569 -122.6003      209.7685 -50.62015      230.6565 -466.8909      504.4546 62.30007 28.43258 72.83122 35.60433 -10.53115      45.56402 
1 1 1 13  27 32 o 100.0500 31.14655 376.9632       202.2460 450.7995       224.5428 59.58734       465.5338 108.1404 32.66288 85.28869 39.45680 22.85175       51.22209 
1 1 1 13  27 33 o 78.84904 30.36997 205.8521       198.2504 333.1992       217.4600 -420.9187      482.4355 93.30881 32.45273 70.88348 34.68744 22.42532       47.50156 
1 1 1 13  27 34 o 144.9239 25.79638 740.2628       211.2171 652.3416       240.8163 1033.420       439.7335 129.9262 31.85331 142.4510 46.11827 -12.52483      56.04934 
1 1 1 13  27 35 o 91.07101 32.14468 324.2480       213.8555 201.2606       240.0167 797.9549       471.0490 79.11598 32.42624 119.3745 46.58258 -40.25855      56.75736 
1 1 1 13  27 36 o 55.28769 26.07553 -125.5932      220.0351 -65.06916      262.8478 -267.3345      402.2433 63.04160 29.33045 67.40744 32.68914 -4.365837      43.91873 
1 1 1 13  27 37 o 42.12935 21.18047 -569.4824      234.0136 -685.4039      291.0882 -357.6657      393.4798 46.54705 23.43052 63.85462 31.26437 -17.30758      39.06981 
1 1 1 13  27 38 o 61.22554 28.12980 -27.53801      230.8628 64.47065       293.4884 -176.8736      373.9023 71.55064 32.42572 67.29378 32.35535 4.256859       45.80717 
1 1 1 13  28 0  o 286.6423 13.17737 2435.745       220.9308 1999.702       396.1900 2632.530       266.1548 255.2180 26.87203 297.4662 15.30767 -42.24818      30.92622 
1 1 1 13  28 1  o 138.1533 14.34001 571.4314       114.4999 0.000000       0.000000 571.4314       114.4999 ?        ?        138.1533 14.34001 0.000000       14.34001 
1 1 1 13  28 2  o 227.8375 12.03910 1537.677       160.2971 1413.009       397.2170 1561.929       175.1963 211.5587 33.09859 229.4264 13.07473 -17.86777      35.58743 
1 1 1 13  28 3  o 92.21511 19.90136 263.8300       104.4698 283.1255       351.2496 261.9575       109.4217 106.5942 40.58171 91.74099 20.81624 14.85324       45.60912 
1 1 1 13  28 4  o 273.1844 8.790947 2199.464       140.6618 1962.259       366.6915 2240.390       152.3138 253.4956 24.98956 275.6120 9.436947 -22.11642      26.71206 
1 1 1 13  28 5  o 210.7404 9.780552 1311.640       120.5523 1424.534       349.9759 1296.442       128.4109 214.2233 28.56759 209.4013 10.48955 4.822021       30.43252 
1 1 1 13  28 6  f 87.24599 20.61007 237.1446       103.7672 159.9802       316.0347 246.4687       109.8578 93.62341 37.63212 88.87453 21.34548 4.748886       43.26438 
1 1 1 13  28 7  o 228.1736 9.437239 1536.702       126.0151 1095.787       339.3136 1607.244       135.7219 185.8417 32.30401 233.2781 9.943118 -47.43646      33.79963 
1 1 1 13  28 8  o 119.2484 16.25699 430.6083       110.7379 43.31836       336.4195 477.6705       117.2733 87.34716 37.25571 125.6943 16.29152 -38.34715      40.66204 
1 1 1 13  28 9  o 86.37728 30.55897 207.3196       193.3668 207.2561       330.9343 207.3525       238.2732 98.38336 38.84765 90.22196 33.62302 8.161400       51.37750 
1 1 1 13  28 10 o 348.1405 8.719474 3572.405       177.8908 3507.578       385.3706 3589.959       200.5345 341.5693 19.31625 348.7574 9.814025 -7.188110      21.66640 
1 1 1 13  28 11 o 295.3081 20.86218 2637.894       358.9891 2637.894       358.9891 0.000000       0.000000 295.3081 20.86218 ?        ?        0.000000       20.86218 
1 1 1 13  28 12 o 382.6311 18.23577 4395.329       408.0404 4395.329       408.0404 0.000000       0.000000 382.6311 18.23577 ?        ?        0.000000       18.23577 
1 1 1 13  28 13 o 170.8728 30.37066 932.3912       293.2010 932.3912       293.2010 0.000000       0.000000 170.8728 30.37066 ?        ?        0.000000       30.37066 
1 1 1 13  28 14 o 131.4892 37.51017 575.2888       303.4254 575.2888       303.4254 0.000000       0.000000 131.4892 37.51017 ?        ?        0.000000       37.51017 
1 1 1 13  28 15 o 113.4782 37.58259 411.6504       291.2884 411.6504       291.2884 0.000000       0.000000 113.4782 37.58259 ?        ?        0.000000       37.58259 
1 1 1 13  28 16 o 236.0184 22.16938 1708.892       303.2739 1708.892       303.2739 0.000000       0.000000 236.0184 22.16938 ?        ?        0.000000       22.16938 
1 1 1 13  28 17 o 227.9175 19.13237 1578.138       253.3807 1677.813       302.6373 1344.480       463.3610 233.6010 22.36280 198.3569 41.18005 35.24403       46.86034 
1 1 1 13  28 18 o 104.3890 33.93843 348.4390       237.9937 509.8502       285.9856 -15.12716      429.2092 123.3611 36.77123 91.56777 40.51083 31.79333       54.71061 
1 1 1 13  28 19 o 147.2000 29.48376 704.8280       245.6507 620.2292       285.4625 946.2635       482.2449 135.4016 35.51466 160.7021 47.71233 -25.30055      59.47905 
1 1 1 13  28 20 o 132.3616 31.26478 582.2643       238.8056 718.6069       277.7252 195.4905       467.7652 146.4433 33.11571 104.5241 44.23005 41.91917       55.25348 
1 1 1 13  28 21 o 92.60231 32.36966 264.8710       216.4986 -19.44134      243.5601 1335.256       472.5833 69.64188 30.67606 192.5588 42.94145 -122.9169      52.77299 
1 1 1 13  28 22 o 75.99937 30.45091 122.8577       206.2359 59.88260       231.2740 367.3743       455.7184 73.34156 31.07068 111.5175 45.06056 -38.17593      54.73428 
1 1 1 13  28 23 o 71.98655 29.53696 93.73294       199.4306 96.11320       226.3464 85.47222       421.6680 75.19573 31.21928 91.90163 40.42631 -16.70590      51.07769 
1 1 1 13  28 24 o 203.0226 17.00434 1269.776       200.6089 1298.434       229.3614 1176.489       413.8222 203.8534 19.41888 176.7062 40.76164 27.14720       45.15090 
1 1 1 13  28 25 o 131.2599 27.83653 585.5286       207.6348 585.6408       240.0769 585.1957       413.6155 128.5878 31.97062 121.3706 44.46494 7.217148       54.76542 
1 1 1 13  28 26 o 72.92316 30.11161 107.3718       208.9970 314.2022       237.8170 -594.2009      437.9980 95.33870 33.87416 66.79854 32.76354 28.54016       47.12651 
1 1 1 13  28 27 o 48.13206 23.39977 -300.9236      209.5429 -222.1163      238.9186 -563.5868      436.1808 55.75888 26.55119 66.98568 32.82232 -11.22680      42.21694 
1 1 1 13  28 28 o 87.51530 32.28198 257.6038       218.6202 218.8340       247.5141 395.1840       466.2633 84.89963 33.57361 104.6839 44.22153 -19.78424      55.52234 
1 1 1 13  28 29 o 62.49475 28.47878 -51.00038      230.2999 9.446857       263.1033 -249.0816      476.2771 69.75874 31.23455 77.09988 36.92431 -7.341141      48.36323 
1 1 1 13  28 30 o 75.17969 30.35237 154.5852       206.5792 118.4704       232.0576 292.4908       453.4651 74.01111 31.22736 96.00181 42.08591 -21.99070      52.40583 
1 1 1 13  28 31 o 52.10951 24.67582 -157.9759      200.7788 -78.94993      223.7775 -484.2385      454.6898 59.43304 27.44603 68.01862 33.36607 -8.585579      43.20392 
1 1 1 13  28 32 o 72.38529 29.80423 137.4244       203.9746 113.6759       227.4457 235.0032       461.0383 72.18588 30.70583 90.98853 40.99303 -18.80265      51.21793 
1 1 1 13  28 33 o 61.61087 27.48145 11.10388       201.6253 92.17036       229.3078 -265.1553      423.3081 70.19932 30.35983 70.06615 33.87165 0.1331635      45.48635 
1 1 1 13  28 34 o 49.89568 23.89982 -186.3992      199.7216 -109.3387      219.2225 -562.6432      484.3999 56.26693 26.37684 66.66908 33.02765 -10.40216      42.26775 
1 1 1 13  28 35 o 54.97298 25.84662 -114.5156      213.2055 -188.9145      245.2180 115.9348       431.5764 55.51494 26.56214 82.08928 37.98153 -26.57434      46.34807 
1 1 1 13  28 36 o 57.94235 27.15068 -95.26491      231.8559 48.42477       282.0667 -394.6061      407.1199 70.20451 31.80484 63.93843 31.40656 6.266087       44.69809 
1 1 1 13  28 37 o 48.46361 23.72683 -303.9499      226.4904 -288.8824      288.0814 -328.3380      366.5081 56.19355 27.34566 62.24670 30.41242 -6.053143      40.89867 
1 1 1 13  29 0  o 272.3927 9.476830 2189.439       151.1635 2392.357       372.9189 2149.542       165.3578 280.6598 22.85367 269.7097 10.47379 10.95007       25.13942 
1 1 1 13  29 1  o 182.6765 14.74795 996.8277       156.6607 930.0628       363.7661 1012.030       173.5829 168.5202 37.74564 183.7097 16.27941 -15.18954      41.10660 
1 1 1 13  29 2  o 354.9930 19.20879 3783.681       398.4277 3783.681       398.4277 0.000000       0.000000 354.9930 19.20879 ?        ?        0.000000       19.20879 
1 1 1 13  29 3  o 318.8327 8.630189 2995.871       161.2256 3044.512       383.4125 2985.423       177.6999 317.6916 20.69090 318.1003 9.535933 -0.4086609     22.78261 
1 1 1 13  29 4  o 260.6392 8.880084 2003.491       135.5416 2058.698       353.6646 1993.987       146.7464 259.8758 23.45692 259.8862 9.644675 -0.1043701E-01 25.36231 
1 1 1 13  29 5  o 204.3344 10.10978 1234.701       120.7767 1343.176       358.1568 1220.783       128.2911 206.5855 30.47536 203.0543 10.81191 3.531281       32.33643 
1 1 1 13  29 6  o 241.0374 9.688479 1716.019       136.6799 1598.522       368.1804 1734.800       147.1986 226.5842 28.32336 242.2256 10.38588 -15.64142      30.16752 
1 1 1 13  29 7  o 660.6012 11.14736 12894.31       431.8788 13107.48       743.7873 12785.88       530.4630 660.8725 19.21063 656.5088 13.77730 4.363708       23.64027 
1 1 1 13  29 8  o 98.11392 20.74215 300.2384       115.6151 498.4960       357.5404 277.0872       122.1792 124.8368 41.64646 93.90631 22.48298 30.93053       47.32771 
1 1 1 13  29 9  f 299.3457 14.24930 2668.527       249.4414 2968.960       412.5092 2495.349       313.1881 312.2103 22.68340 287.8727 18.65082 24.33759       29.36648 
1 1 1 13  29 10 o 210.7063 17.94962 1339.654       219.7014 679.8022       365.6359 1712.516       274.8523 141.9488 41.38678 237.6828 19.89997 -95.73398      45.92249 
1 1 1 13  29 11 o 321.5797 19.28463 3123.195       362.0351 3123.195       362.0351 0.000000       0.000000 321.5797 19.28463 ?        ?        0.000000       19.28463 
1 1 1 13  29 12 o 280.6339 21.05419 2396.775       343.9944 2396.775       343.9944 0.000000       0.000000 280.6339 21.05419 ?        ?        0.000000       21.05419 
1 1 1 13  29 13 o 355.5583 17.72240 3804.681       368.3943 3804.681       368.3943 0.000000       0.000000 355.5583 17.72240 ?        ?        0.000000       17.72240 
1 1 1 13  29 14 o 299.1458 18.49244 2704.261       322.8488 2704.261       322.8488 0.000000       0.000000 299.1458 18.49244 ?        ?        0.000000       18.49244 
1 1 1 13  29 15 o 170.9382 29.33516 936.9442       283.5021 936.9442       283.5021 0.000000       0.000000 170.9382 29.33516 ?        ?        0.000000       29.33516 
1 1 1 13  29 16 o 243.7898 21.54269 1823.514       304.8445 1823.514       304.8445 0.000000       0.000000 243.7898 21.54269 ?        ?        0.000000       21.54269 
1 1 1 13  29 17 o 265.3092 16.94438 2125.350       262.2725 2175.803       323.7903 2029.091       447.2435 266.4878 20.88416 250.9809 31.04583 15.50685       37.41646 
1 1 1 13  29 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  29 19 o 77.78085 33.27454 49.84584       269.8018 49.84584       269.8018 0.000000       0.000000 77.78085 33.27454 ?        ?        0.000000       33.27454 
1 1 1 13  29 20 o 53.87116 25.50442 -213.0698      214.2647 -132.2869      241.4939 -511.9187      464.4855 62.23742 28.65858 74.27699 35.80141 -12.03958      45.85908 
1 1 1 13  29 21 o 74.77887 30.48805 108.1159       210.8089 129.5862       234.6875 18.42182       479.6807 79.15728 32.20762 93.42567 41.97572 -14.26839      52.90833 
1 1 1 13  29 22 o 74.76140 30.34681 116.7955       207.7718 122.3010       236.6249 98.26006       434.1757 78.12744 32.12775 92.75025 40.90190 -14.62281      52.01113 
1 1 1 13  29 23 f 172.0915 19.72800 931.9072       195.5146 896.9926       220.0066 1063.051       426.3894 166.7613 23.11603 163.9089 43.60014 2.852417       49.34900 
1 1 1 13  29 24 o 69.48402 29.47334 65.35301       208.5447 118.0489       241.4200 -89.57404      413.9505 77.19438 32.16138 80.91624 37.35338 -3.721855      49.29127 
1 1 1 13  29 25 o 150.2271 25.57554 753.7621       217.2663 849.2462       251.6049 473.8129       430.8176 157.6193 28.25617 111.2619 44.19949 46.35734       52.45957 
1 1 1 13  29 26 o 48.71691 23.61139 -282.4955      209.0645 -23.36058      242.0201 -1044.398      414.9904 66.43934 29.83623 55.17350 27.79892 11.26584       40.77966 
1 1 1 13  29 27 o 215.4020 17.63061 1456.122       220.7772 1742.467       260.7548 731.0911       414.9211 234.4002 19.13444 128.2403 44.81296 106.1599       48.72708 
1 1 1 13  29 28 o 55.21782 25.99694 -150.7693      216.9898 -145.3170      253.1960 -165.8496      421.0852 60.25167 28.27736 75.55502 35.76547 -15.30335      45.59362 
1 1 1 13  29 29 o 75.48834 30.69898 153.8312       213.0864 149.2285       241.4609 170.0351       453.0532 77.10353 32.14699 90.00623 40.58579 -12.90270      51.77485 
1 1 1 13  29 30 o 94.00306 31.26864 331.0833       201.5808 214.3712       223.4832 840.4964       466.8977 81.25417 31.97317 128.0296 47.18527 -46.77540      56.99766 
1 1 1 13  29 31 o 189.9671 20.20133 1181.769       221.6181 1282.364       258.3477 901.5112       431.2179 195.0128 23.03261 133.7807 45.73449 61.23212       51.20688 
1 1 1 13  29 32 o 57.78637 26.68987 -68.03672      211.7398 -132.6335      239.2903 165.0302       454.5272 57.82383 27.24739 86.53448 39.65107 -28.71066      48.11058 
1 1 1 13  29 33 o 152.7543 24.98502 818.7822       216.1019 958.1850       239.6616 212.4942       499.8068 164.7263 25.64178 88.87003 41.03207 75.85627       48.38524 
1 1 1 13  29 34 o 46.28403 22.75788 -331.8195      215.5247 -498.2716      250.2538 146.1624       424.0741 46.06026 22.96974 82.95567 38.11781 -36.89542      44.50367 
1 1 1 13  29 35 o 97.11269 32.81809 389.7866       221.9674 276.1223       260.9582 687.1996       422.1229 84.81445 34.15945 111.7122 43.94715 -26.89777      55.66166 
1 1 1 13  29 36 o 64.21783 29.04122 17.97359       233.9386 96.86427       299.8285 -104.7870      374.0154 73.74822 33.15622 69.74833 33.21482 3.999893       46.93143 
1 1 1 13  30 0  o 232.8248 10.17592 1603.074       138.6127 2029.552       366.9741 1532.103       149.7026 257.1028 24.63877 227.3861 11.26077 29.71675       27.09011 
1 1 1 13  30 1  o 217.2613 13.69324 1406.120       173.5899 1227.266       356.5393 1461.689       198.7355 196.1579 32.10147 221.0715 15.42501 -24.91356      35.61509 
1 1 1 13  30 2  o 178.5194 12.93235 949.3810       134.4804 0.000000       0.000000 949.3810       134.4804 ?        ?        178.5194 12.93235 0.000000       12.93235 
1 1 1 13  30 3  o 301.3623 9.122745 2680.027       161.0515 2494.645       386.6833 2718.934       177.1474 285.8254 23.26881 303.3590 9.970520 -17.53354      25.31499 
1 1 1 13  30 4  o 177.6539 11.64024 937.7021       120.6114 426.5129       361.0447 1001.916       127.9627 118.0273 41.75685 183.5977 11.94900 -65.57037      43.43286 
1 1 1 13  30 5  o 208.2923 10.53203 1285.033       128.2401 1271.970       350.1648 1287.056       137.8148 200.0293 30.83877 208.2953 11.32406 -8.266022      32.85216 
1 1 1 13  30 6  o 317.3995 9.152110 2973.830       170.1861 3505.898       415.0101 2866.267       186.5972 340.0420 20.91132 311.3433 10.23306 28.69864       23.28086 
1 1 1 13  30 7  o 329.1148 13.43186 3222.376       258.7144 3189.664       408.3394 3244.313       334.3947 323.7861 21.62769 328.6459 17.41138 -4.859833      27.76531 
1 1 1 13  30 8  o 98.87907 21.35285 306.8322       120.1975 1017.399       344.1407 208.1081       128.2759 176.3437 34.51173 81.87921 24.67806 94.46452       42.42719 
1 1 1 13  30 9  o 79.32483 35.74437 -107.6016      350.7093 -107.6016      350.7093 0.000000       0.000000 79.32483 35.74437 ?        ?        0.000000       35.74437 
1 1 1 13  30 10 o 190.6311 12.42208 1082.651       138.1232 2060.478       366.5036 920.7811       149.1181 258.1993 24.49621 175.1838 14.64793 83.01552       28.54165 
1 1 1 13  30 11 o 111.9298 40.07661 384.1561       333.5099 384.1561       333.5099 0.000000       0.000000 111.9298 40.07661 ?        ?        0.000000       40.07661 
1 1 1 13  30 12 o 265.6971 23.21274 2174.323       358.0841 2174.323       358.0841 0.000000       0.000000 265.6971 23.21274 ?        ?        0.000000       23.21274 
1 1 1 13  30 13 o 77.60709 34.12732 -22.44631      300.2784 -22.44631      300.2784 0.000000       0.000000 77.60709 34.12732 ?        ?        0.000000       34.12732 
1 1 1 13  30 14 o 177.5500 30.55061 1020.102       306.6488 1020.102       306.6488 0.000000       0.000000 177.5500 30.55061 ?        ?        0.000000       30.55061 
1 1 1 13  30 15 o 140.1434 36.17822 667.5817       299.3778 667.5817       299.3778 0.000000       0.000000 140.1434 36.17822 ?        ?        0.000000       36.17822 
1 1 1 13  30 16 o 212.4497 26.23215 1428.774       319.9092 1428.774       319.9092 0.000000       0.000000 212.4497 26.23215 ?        ?        0.000000       26.23215 
1 1 1 13  30 17 o 78.67250 32.60347 96.34782       246.2356 99.06746       294.4496 90.02235       449.0582 83.92669 35.27982 96.91089 42.19419 -12.98420      55.00014 
1 1 1 13  30 18 o 107.3430 32.89633 387.9091       226.6544 505.3602       271.2375 116.0900       412.6302 120.7836 35.76295 94.63792 40.82662 26.14565       54.27524 
1 1 1 13  30 19 o 221.2928 21.00689 1528.158       269.3685 1528.158       269.3685 0.000000       0.000000 221.2928 21.00689 ?        ?        0.000000       21.00689 
1 1 1 13  30 20 o 57.56981 26.56475 -117.9795      209.0447 -145.0536      237.8490 -26.06810      438.2371 60.39263 28.03064 87.57906 39.66302 -27.18644      48.56822 
1 1 1 13  30 21 o 157.1200 24.46147 804.1344       218.0713 893.4011       254.1552 555.0071       424.5854 163.7697 27.43073 120.1890 44.86474 43.58066       52.58603 
1 1 1 13  30 22 o 51.45512 24.14462 -146.9897      184.4527 -67.75253      205.8298 -470.1154      415.6516 59.55570 27.05504 68.37526 33.17512 -8.819557      42.80846 
1 1 1 13  30 23 o 52.48662 25.00064 -211.6111      212.1586 -34.24901      239.7719 -851.3356      455.3699 65.94629 29.64926 62.85954 31.28880 3.086754       43.10531 
1 1 1 13  30 24 o 155.0161 25.30195 801.6462       222.1009 903.9523       250.1884 421.2112       482.4549 163.4331 27.04741 108.2320 45.30598 55.20111       52.76546 
1 1 1 13  30 25 o 50.05496 24.14051 -258.1204      211.9257 -203.0764      240.4137 -449.9653      448.8273 56.57571 26.85234 70.54205 34.28352 -13.96633      43.54777 
1 1 1 13  30 26 o 171.5980 21.06483 955.2023       207.5505 1039.341       237.9508 687.5847       424.3727 177.0990 23.48834 123.4429 45.06873 53.65610       50.82216 
1 1 1 13  30 27 o 55.34599 25.82312 -116.6653      206.0536 -410.9105      235.3461 849.5654       426.4742 47.56982 23.46530 134.5620 45.48986 -86.99216      51.18542 
1 1 1 13  30 28 o 46.48128 22.56077 -257.4258      192.6987 -292.1278      217.6753 -131.7076      414.3155 48.92647 23.80044 75.49270 35.65827 -26.56623      42.87159 
1 1 1 13  30 29 o 62.56067 27.11365 43.43647       183.6736 34.93036       199.7698 89.93063       467.0501 63.75823 27.94274 86.01895 39.69751 -22.26072      48.54574 
1 1 1 13  30 30 o 52.17531 24.75081 -157.7189      203.7333 -179.9078      231.9167 -82.70723      426.4112 54.97294 26.17195 76.46700 36.13550 -21.49406      44.61777 
1 1 1 13  30 31 o 62.18470 28.05872 -4.205542      216.9470 -52.64930      245.3197 169.6355       464.7181 62.44941 28.80243 86.82616 39.89862 -24.37675      49.20854 
1 1 1 13  30 32 o 78.57739 31.37824 207.1880       218.2393 355.2897       251.6346 -242.3429      438.3995 93.36902 34.59901 71.01375 34.36368 22.35527       48.76427 
1 1 1 13  30 33 o 79.62254 31.65989 222.3635       221.2406 352.3893       255.7855 -163.8551      440.8367 92.31122 34.74663 72.81804 35.04237 19.49318       49.34872 
1 1 1 13  30 34 o 51.28874 24.61059 -188.9647      213.8692 -273.3406      247.8041 57.37404       423.4146 52.28888 25.42656 78.58762 36.78138 -26.29875      44.71442 
1 1 1 13  30 35 o 68.23115 30.00282 82.93120       232.0568 -13.36355      284.7136 273.4943       400.5220 66.87469 30.90935 86.72473 38.70489 -19.85004      49.53238 
1 1 1 13  31 0  o 309.2151 9.427950 2824.879       170.7737 3265.462       393.1980 2722.448       189.5887 328.0110 20.54275 303.2310 10.67742 24.77994       23.15193 
1 1 1 13  31 1  o 312.1370 10.42409 2883.257       190.5566 0.000000       0.000000 2883.257       190.5566 ?        ?        312.1370 10.42409 0.000000       10.42409 
1 1 1 13  31 2  f 290.6137 9.333925 2495.229       158.8793 3313.717       407.6715 2348.650       172.5201 330.0649 21.17175 281.6684 10.46180 48.39648       23.61551 
1 1 1 13  31 3  o 204.3005 11.32833 1239.424       135.2017 1569.790       368.4667 1188.024       145.3394 223.0086 28.84777 199.7411 12.46916 23.26755       31.42728 
1 1 1 13  31 4  o 183.0734 11.88023 997.3831       126.8671 1161.487       356.9581 973.6569       135.7288 189.0139 33.42370 180.6382 12.89670 8.375763       35.82553 
1 1 1 13  31 5  o 190.6770 11.51539 1080.813       128.1735 1355.632       354.8393 1039.575       137.4541 206.1693 30.24547 186.7337 12.62541 19.43561       32.77482 
1 1 1 13  31 6  o 110.8639 19.96619 381.9113       125.0445 55.15401       344.6519 431.4439       134.1879 87.61937 37.54842 117.9541 20.11883 -30.33472      42.59872 
1 1 1 13  31 7  o 232.6622 15.94752 1626.475       216.2893 1767.412       383.0912 1560.529       262.0508 236.8402 28.12889 226.3492 19.94417 10.49092       34.48195 
1 1 1 13  31 8  o 258.1066 15.21814 1996.539       229.3399 1858.981       386.1801 2071.485       285.0491 243.1719 27.56419 261.5020 18.70998 -18.33003      33.31438 
1 1 1 13  31 9  o 210.0254 12.33226 1313.982       151.2341 1231.477       360.6974 1331.579       166.5838 194.5386 32.77848 211.1003 13.52647 -16.56166      35.45975 
1 1 1 13  31 10 o 251.5650 10.56742 1876.365       155.5613 1599.836       370.5263 1935.537       171.3988 224.4440 28.81263 255.2572 11.47867 -30.81325      31.01496 
1 1 1 13  31 11 o 276.3013 24.13824 2366.192       387.2225 2366.192       387.2225 0.000000       0.000000 276.3013 24.13824 ?        ?        0.000000       24.13824 
1 1 1 13  31 12 o 262.6278 25.13868 2153.542       382.4777 2153.542       382.4777 0.000000       0.000000 262.6278 25.13868 ?        ?        0.000000       25.13868 
1 1 1 13  31 13 o 248.4457 25.14869 1934.262       361.3944 1934.262       361.3944 0.000000       0.000000 248.4457 25.14869 ?        ?        0.000000       25.14869 
1 1 1 13  31 14 o 220.8337 25.39479 1538.139       322.9177 1538.139       322.9177 0.000000       0.000000 220.8337 25.39479 ?        ?        0.000000       25.39479 
1 1 1 13  31 15 o 192.9695 29.17442 1209.718       319.8757 1209.718       319.8757 0.000000       0.000000 192.9695 29.17442 ?        ?        0.000000       29.17442 
1 1 1 13  31 16 o 94.11140 36.79567 238.0347       294.3743 238.0347       294.3743 0.000000       0.000000 94.11140 36.79567 ?        ?        0.000000       36.79567 
1 1 1 13  31 17 o 123.2562 35.58390 535.3301       271.5055 535.3301       271.5055 0.000000       0.000000 123.2562 35.58390 ?        ?        0.000000       35.58390 
1 1 1 13  31 18 f 73.30993 30.56340 85.59134       218.2376 5.220783       254.4236 309.3948       424.5630 71.51131 31.43134 104.6331 43.03199 -33.12178      53.28865 
1 1 1 13  31 19 o 243.5876 15.81104 1813.243       224.6535 1733.402       260.6165 2044.135       443.1954 236.0586 18.98483 244.8564 31.59862 -8.797806      36.86321 
1 1 1 13  31 20 o 60.11587 27.90411 -133.4216      235.7688 -133.4216      235.7688 0.000000       0.000000 60.11587 27.90411 ?        ?        0.000000       27.90411 
1 1 1 13  31 21 o 150.4474 25.73094 753.8969       218.8803 855.3519       254.0183 461.3863       431.3194 158.5037 28.36757 111.2409 44.21417 47.26272       52.53201 
1 1 1 13  31 22 o 71.27188 29.67192 95.29769       205.2718 -64.75533      230.1196 718.6798       454.1495 62.67054 28.52349 128.5070 46.66717 -65.83649      54.69382 
1 1 1 13  31 23 o 136.9021 28.32963 649.8027       219.9545 685.0954       251.8817 536.4589       451.3918 137.9485 31.78700 114.3367 45.29978 23.61177       55.33971 
1 1 1 13  31 24 o 78.21939 31.15964 170.0966       214.6914 226.3540       249.6709 10.45796       420.5789 85.53281 33.75216 83.39801 38.18681 2.134804       50.96510 
1 1 1 13  31 25 o 69.73306 29.14226 98.34682       199.1209 151.5209       229.2130 -65.22145      402.0119 76.94339 31.62854 78.01266 36.28817 -1.069267      48.13726 
1 1 1 13  31 26 o 136.2284 27.37325 653.2020       211.1011 878.9940       251.9755 121.6015       386.6310 157.7054 28.28245 84.59799 37.87230 73.10736       47.26741 
1 1 1 13  31 27 o 87.37766 31.22561 275.3229       202.3634 124.2064       230.1098 791.0368       425.0927 73.86585 31.12723 127.7685 45.29934 -53.90266      54.96303 
1 1 1 13  31 28 o 55.16402 25.45215 -74.94312      191.8336 -70.68762      207.2660 -100.3695      506.6353 57.52776 26.51163 81.13715 38.64373 -23.60938      46.86368 
1 1 1 13  31 29 o 63.30805 28.02632 27.11262       205.7484 41.68459       222.0917 -61.10761      546.4587 66.04480 29.18364 83.10414 39.73272 -17.05934      49.29882 
1 1 1 13  31 30 o 169.5491 22.19292 971.6130       215.3863 969.5834       248.6440 977.7144       431.0986 164.8626 26.62293 137.2648 45.72881 27.59782       52.91412 
1 1 1 13  31 31 f 91.09982 31.80098 326.1827       208.9166 219.2784       241.0329 649.0709       418.8946 80.38693 32.66527 111.3284 43.78407 -30.94145      54.62659 
1 1 1 13  31 32 f 61.39965 27.97747 -15.07335      222.2059 -24.38549      260.6971 9.663154       424.8941 64.70618 29.78844 77.39880 36.42080 -12.69261      47.05131 
1 1 1 13  31 33 o 117.0408 30.13680 535.7678       208.1022 734.0410       258.1972 168.1821       351.5595 134.4240 32.99892 80.21088 35.99513 54.21316       48.83214 
1 1 1 13  31 34 o 67.95778 29.36599 99.09919       214.1866 230.6286       276.8293 -97.07483      338.0815 81.06815 34.15058 67.34778 31.92943 13.72037       46.75201 
1 1 1 13  32 0  o 453.8997 9.773116 6089.094       260.1618 5826.055       493.9713 6190.066       306.0484 438.6918 19.24642 456.9949 11.41900 -18.30310      22.37897 
1 1 1 13  32 1  o 300.0138 10.94100 2668.912       192.1855 0.000000       0.000000 2668.912       192.1855 ?        ?        300.0138 10.94100 0.000000       10.94100 
1 1 1 13  32 2  o 315.8186 12.09237 2964.377       223.5613 2913.381       411.7629 2985.693       266.2162 307.8013 22.97581 316.0763 14.39907 -8.274994      27.11496 
1 1 1 13  32 3  o 224.1224 10.83012 1490.689       141.9325 1375.890       364.3034 1511.232       154.1095 206.7844 30.99336 225.4434 11.69577 -18.65897      33.12672 
1 1 1 13  32 4  o 236.7641 10.15120 1660.955       140.6286 1590.087       367.0044 1673.151       152.2492 223.8941 28.60200 237.4303 10.96332 -13.53612      30.63117 
1 1 1 13  32 5  o 173.3627 12.84792 898.2947       129.7005 -37.52338      357.8832 1039.790       139.1608 83.24717 36.90258 186.5977 12.79369 -103.3506      39.05738 
1 1 1 13  32 6  o 45.89195 20.80866 -61.93049      121.0598 -142.6559      329.7234 -49.35294      130.1495 74.53045 34.00671 48.93924 21.93615 25.59121       40.46790 
1 1 1 13  32 7  o 43.67060 20.53886 -134.2228      134.8114 -399.1160      346.2922 -86.90605      146.3574 65.94052 31.55442 49.34460 22.56877 16.59592       38.79473 
1 1 1 13  32 8  o 141.5763 25.39902 637.2103       203.1425 632.7891       328.8008 639.9398       258.3483 135.6094 39.16154 138.9486 32.31546 -3.339218      50.77317 
1 1 1 13  32 9  o 277.9093 14.71364 2316.193       238.9590 1816.677       361.0975 2705.374       318.7319 240.3447 26.03278 298.6475 18.28534 -58.30272      31.81288 
1 1 1 13  32 10 o 225.5784 12.82770 1520.430       169.0063 0.000000       0.000000 1520.430       169.0063 ?        ?        225.5784 12.82770 0.000000       12.82770 
1 1 1 13  32 11 o 258.5508 24.49209 2093.231       366.9554 2093.231       366.9554 0.000000       0.000000 258.5508 24.49209 ?        ?        0.000000       24.49209 
1 1 1 13  32 12 o 276.0038 22.70934 2368.417       364.3466 2368.417       364.3466 0.000000       0.000000 276.0038 22.70934 ?        ?        0.000000       22.70934 
1 1 1 13  32 13 o 64.30449 30.35084 -259.9489      299.1231 -259.9489      299.1231 0.000000       0.000000 64.30449 30.35084 ?        ?        0.000000       30.35084 
1 1 1 13  32 14 o 80.80807 34.01444 95.76700       274.2856 95.76700       274.2856 0.000000       0.000000 80.80807 34.01444 ?        ?        0.000000       34.01444 
1 1 1 13  32 15 o 78.41901 33.21514 83.96545       264.2130 83.96545       264.2130 0.000000       0.000000 78.41901 33.21514 ?        ?        0.000000       33.21514 
1 1 1 13  32 16 o 139.4065 35.01451 691.6779       285.8508 691.6779       285.8508 0.000000       0.000000 139.4065 35.01451 ?        ?        0.000000       35.01451 
1 1 1 13  32 17 o 246.4793 19.58430 1896.731       280.7735 1896.731       280.7735 0.000000       0.000000 246.4793 19.58430 ?        ?        0.000000       19.58430 
1 1 1 13  32 18 o 79.40378 30.98785 170.8346       208.4649 293.1548       243.3093 -166.8487      404.2635 93.92588 34.15078 77.36700 36.12158 16.55888       49.70960 
1 1 1 13  32 19 o 69.39541 28.86444 84.50408       193.9974 -13.26914      222.9578 389.2363       393.6152 65.28737 29.02369 105.6381 42.15502 -40.35075      51.18027 
1 1 1 13  32 20 o 65.10322 29.12003 -21.66906      228.0539 -21.66906      228.0539 0.000000       0.000000 65.10322 29.12003 ?        ?        0.000000       29.12003 
1 1 1 13  32 21 o 118.2263 28.41832 488.1394       194.5981 499.9823       217.3261 440.2368       437.0808 117.9839 31.00769 108.1845 43.97760 9.799431       53.80991 
1 1 1 13  32 22 o 65.76479 28.82693 23.17528       212.6915 0.1270538      252.8756 78.90691       393.2231 68.80362 30.72730 84.97523 38.10582 -16.17161      48.95121 
1 1 1 13  32 23 o 111.2592 31.32542 456.2968       213.0245 578.6865       253.1049 159.0167       394.4672 123.4297 33.92142 88.18449 38.93338 35.24519       51.63787 
1 1 1 13  32 24 o 69.85497 29.17862 102.2680       199.4698 18.75600       233.6880 326.4493       382.8792 66.98289 29.74931 96.23232 40.32706 -29.24943      50.11280 
1 1 1 13  32 25 o 55.31214 25.74544 -105.5396      202.8653 -43.24392      240.8975 -257.4444      376.1741 63.70298 29.06675 68.15146 32.68557 -4.448479      43.74039 
1 1 1 13  32 26 o 64.55457 28.02576 49.17148       196.9276 38.09749       225.0627 85.34298       406.7567 66.74031 29.43943 82.88557 37.80051 -16.14526      47.91199 
1 1 1 13  32 27 o 52.62897 24.74413 -126.1538      195.3906 -87.44793      217.8750 -285.1817      441.6270 57.78127 26.82178 71.33427 34.51182 -13.55300      43.70897 
1 1 1 13  32 28 o 60.05840 27.26127 -23.94414      208.4588 -14.77293      235.2257 -57.50207      449.9551 63.63269 28.91319 78.16026 36.99055 -14.52757      46.94968 
1 1 1 13  32 29 o 91.63801 32.13711 330.3348       213.5080 416.4960       248.7396 89.15938       416.1555 99.96300 34.71176 81.00346 37.41465 18.95954       51.03688 
1 1 1 13  32 30 o 55.72059 25.88685 -78.51889      203.6031 -229.3618      235.5209 367.6242       405.0458 52.74922 25.44214 93.50085 40.39337 -40.75163      47.73811 
1 1 1 13  32 31 o 62.44259 27.72383 33.89962       202.7854 65.52833       254.0117 -21.68297      336.7305 69.13480 30.84103 70.77207 33.01743 -1.637276      45.18096 
1 1 1 13  32 32 o 80.32563 30.25752 240.6387       194.0415 331.2663       255.7593 117.7198       297.8589 89.39055 34.47776 74.79046 33.37830 14.60009       47.98777 
1 1 1 13  32 33 o 97.62896 31.96287 393.2314       210.9105 357.5471       275.5872 443.6795       327.6748 91.11380 35.60842 96.99543 38.54224 -5.881630      52.47346 
1 1 1 13  33 0  o 164.7032 14.02501 815.3251       134.1865 1252.195       350.3940 740.2436       145.2603 196.0945 31.53693 156.2766 16.07817 39.81798       35.39894 
1 1 1 13  33 1  o 183.4505 12.66973 1005.967       135.4756 923.4250       337.1003 1021.866       147.9492 165.4921 35.77639 184.5882 13.76565 -19.09610      38.33332 
1 1 1 13  33 2  o 143.8631 24.76021 656.2244       201.3734 887.5042       394.0438 574.4711       234.2763 158.6752 41.77717 131.9455 30.83274 26.72977       51.92292 
1 1 1 13  33 3  o 166.8985 13.72286 836.4758       133.1366 882.5626       365.8210 829.4396       142.9390 159.5094 39.35173 165.8593 14.85172 -6.349899      42.06105 
1 1 1 13  33 4  o 284.6300 9.865160 2400.394       164.4290 2193.002       393.3772 2444.301       180.9995 264.2952 25.70296 286.9403 10.77475 -22.64508      27.87001 
1 1 1 13  33 5  f 128.0162 18.07071 504.4528       131.9031 688.0087       374.6725 478.4847       140.9249 139.3694 42.21276 123.9517 20.07163 15.41772       46.74171 
1 1 1 13  33 6  o 166.0399 15.15919 833.1680       145.9913 1229.792       378.8573 764.0020       158.2095 191.4419 35.03399 158.2180 17.33345 33.22388       39.08745 
1 1 1 13  33 7  o 158.3525 23.24918 789.0952       209.4896 1378.636       373.7458 519.0271       252.9624 204.6023 32.21066 123.7909 33.86834 80.81133       46.73961 
1 1 1 13  33 8  o 197.6944 13.55173 1173.319       156.1727 1478.842       372.2695 1108.064       172.0441 212.7363 30.72701 191.4243 15.45602 21.31194       34.39531 
1 1 1 13  33 9  o 84.57713 26.38183 227.2721       145.0236 581.6501       352.8409 155.2358       159.0820 128.0525 41.29887 75.23888 27.57402 52.81360       49.65806 
1 1 1 13  33 10 o 242.4387 12.31199 1757.759       174.4844 0.000000       0.000000 1757.759       174.4844 ?        ?        242.4387 12.31199 0.000000       12.31199 
1 1 1 13  33 11 o 314.8102 20.93699 3073.114       384.3604 3073.114       384.3604 0.000000       0.000000 314.8102 20.93699 ?        ?        0.000000       20.93699 
1 1 1 13  33 12 o 60.99336 29.43036 -390.4521      315.9166 -390.4521      315.9166 0.000000       0.000000 60.99336 29.43036 ?        ?        0.000000       29.43036 
1 1 1 13  33 13 o 78.20830 34.76722 -3.015938      319.9201 -3.015938      319.9201 0.000000       0.000000 78.20830 34.76722 ?        ?        0.000000       34.76722 
1 1 1 13  33 14 o 156.6294 31.53600 845.0568       279.6544 845.0568       279.6544 0.000000       0.000000 156.6294 31.53600 ?        ?        0.000000       31.53600 
1 1 1 13  33 15 o 100.9527 35.76104 352.7914       264.8744 352.7914       264.8744 0.000000       0.000000 100.9527 35.76104 ?        ?        0.000000       35.76104 
1 1 1 13  33 16 o 78.62693 33.07115 114.2742       258.9717 114.2742       258.9717 0.000000       0.000000 78.62693 33.07115 ?        ?        0.000000       33.07115 
1 1 1 13  33 17 o 102.6412 34.52139 378.5558       245.6099 378.5558       245.6099 0.000000       0.000000 102.6412 34.52139 ?        ?        0.000000       34.52139 
1 1 1 13  33 18 o 52.26190 25.16826 -270.4837      228.3694 -270.4837      228.3694 0.000000       0.000000 52.26190 25.16826 ?        ?        0.000000       25.16826 
1 1 1 13  33 19 o 131.9085 27.61648 599.4052       206.7814 572.1793       235.6512 690.5458       431.1566 125.7100 31.91218 126.1907 45.51943 -0.4806290     55.59142 
1 1 1 13  33 20 o 47.85976 23.28240 -298.2147      208.3551 -341.9333      241.1974 -169.6679      413.5899 51.12777 24.91209 76.11164 35.85159 -24.98388      43.65717 
1 1 1 13  33 21 o 79.66438 31.55102 185.0905       218.8960 185.0905       218.8960 0.000000       0.000000 79.66438 31.55102 ?        ?        0.000000       31.55102 
1 1 1 13  33 22 o 94.96197 32.56853 333.8265       218.7201 546.7558       259.6388 -186.5724      405.9009 118.1938 34.98838 73.50706 34.88913 44.68673       49.41091 
1 1 1 13  33 23 o 76.02282 30.78494 160.4768       213.2261 147.8875       248.7742 195.3282       413.9198 77.40532 32.47641 89.35448 39.64415 -11.94917      51.24818 
1 1 1 13  33 24 o 55.29053 25.65248 -93.21793      198.9045 -216.5675      229.3628 280.8981       399.4453 53.46377 25.60975 92.64344 40.06820 -39.17967      47.55334 
1 1 1 13  33 25 o 141.1400 26.03235 698.0689       207.5466 762.0092       239.0150 502.0712       418.4691 144.6389 29.18427 105.2928 42.94535 39.34605       51.92325 
1 1 1 13  33 26 o 62.78640 27.93179 17.80662       206.8721 144.6485       233.1903 -450.8943      448.2569 74.70165 31.39868 67.24221 33.01441 7.459442       45.56126 
1 1 1 13  33 27 o 54.37930 25.63515 -130.8127      212.2164 -169.0031      244.2421 -13.15723      428.6960 56.64450 26.93670 78.16595 36.71958 -21.52145      45.54024 
1 1 1 13  33 28 o 70.71375 29.93515 121.9753       214.4121 93.48636       254.5657 191.5256       397.7504 71.57869 31.45123 84.47884 38.06656 -12.90015      49.37857 
1 1 1 13  33 29 o 93.52702 31.21846 346.2240       200.9008 533.1544       238.5999 -109.1339      372.3975 113.7118 33.50960 70.25819 33.36765 43.45358       47.28946 
1 1 1 13  33 30 o 62.71952 27.78353 40.05765       202.5154 56.53625       244.3227 3.880493       362.0102 67.62074 30.20083 73.23747 34.18968 -5.616737      45.61824 
1 1 1 13  33 31 o 90.32719 31.02190 327.2560       198.4589 199.4245       253.0484 531.5266       319.8802 77.91362 32.72602 104.9201 38.98521 -27.00649      50.90029 
1 1 1 13  33 32 o 52.42893 24.68705 -108.2896      195.7849 78.81189       273.1422 -305.9995      280.7790 70.55895 31.69058 54.59014 26.66022 15.96881       41.41329 
1 1 1 13  34 0  o 222.8719 11.23772 1480.085       146.4132 1495.845       373.2006 1477.218       159.1742 213.7485 30.64624 222.3224 12.25525 -8.573975      33.00581 
1 1 1 13  34 1  o 112.4573 19.09608 394.8556       121.4457 -161.5203      360.6319 466.0228       128.9792 76.15337 35.05013 122.5875 18.51670 -46.43414      39.64064 
1 1 1 13  34 2  o 78.82919 24.43636 195.5410       124.6368 -231.0642      360.0807 253.6097       132.8489 73.07628 34.10915 88.66100 24.65670 -15.58472      42.08785 
1 1 1 13  34 3  o 77.60450 24.01047 189.3241       120.3967 -292.0860      376.8231 244.0551       127.0563 72.51270 34.17622 87.04994 24.07702 -14.53725      41.80570 
1 1 1 13  34 4  o 64.39665 27.92184 4.383543       194.9638 0.000000       0.000000 4.383543       194.9638 ?        ?        64.39665 27.92184 0.000000       27.92184 
1 1 1 13  34 5  o 47.88389 21.61526 -54.53460      128.9085 -749.2122      370.3951 41.20435       137.5048 58.11141 28.80449 58.67580 24.34439 -0.5643883     37.71403 
1 1 1 13  34 6  o 113.8574 21.42902 412.0487       137.8420 -346.9066      361.2605 541.3702       149.1241 68.36243 32.57972 131.5064 19.96159 -63.14399      38.20868 
1 1 1 13  34 7  o 257.1310 11.32686 1973.405       170.3914 1480.921       355.4041 2120.389       194.1605 212.2912 29.32830 266.0589 12.47798 -53.76765      31.87239 
1 1 1 13  34 8  o 127.0606 20.10205 508.3741       144.8182 744.7374       346.2895 458.2742       159.4291 142.4447 39.88030 118.9994 23.67723 23.44535       46.37941 
1 1 1 13  34 9  o 54.72675 23.31838 16.92496       131.5547 286.3817       305.2025 -44.56328      145.7940 97.50549 37.64845 51.77486 23.21139 45.73063       44.22866 
1 1 1 13  34 10 o 148.4797 15.47220 675.0377       132.7574 32.09322       302.9485 827.8510       147.6939 78.38314 34.37962 164.5676 15.48467 -86.18441      37.70588 
1 1 1 13  34 11 o 174.2663 31.15304 1039.004       306.7063 1039.004       306.7063 0.000000       0.000000 174.2663 31.15304 ?        ?        0.000000       31.15304 
1 1 1 13  34 12 o 180.9556 28.54646 1100.354       292.9214 1100.354       292.9214 0.000000       0.000000 180.9556 28.54646 ?        ?        0.000000       28.54646 
1 1 1 13  34 13 o 104.9688 38.29251 393.2906       306.2632 393.2906       306.2632 0.000000       0.000000 104.9688 38.29251 ?        ?        0.000000       38.29251 
1 1 1 13  34 14 o 157.4246 34.16773 894.1440       306.3824 894.1440       306.3824 0.000000       0.000000 157.4246 34.16773 ?        ?        0.000000       34.16773 
1 1 1 13  34 15 o 57.44604 27.27001 -216.3801      248.1559 -216.3801      248.1559 0.000000       0.000000 57.44604 27.27001 ?        ?        0.000000       27.27001 
1 1 1 13  34 16 o 153.7957 30.20437 828.7568       262.7102 828.7568       262.7102 0.000000       0.000000 153.7957 30.20437 ?        ?        0.000000       30.20437 
1 1 1 13  34 17 o 95.87624 34.91001 325.0558       254.3754 325.0558       254.3754 0.000000       0.000000 95.87624 34.91001 ?        ?        0.000000       34.91001 
1 1 1 13  34 18 o 206.6341 21.55947 1380.774       257.4315 1380.774       257.4315 0.000000       0.000000 206.6341 21.55947 ?        ?        0.000000       21.55947 
1 1 1 13  34 19 o 51.22942 24.40962 -193.3338      202.5789 -84.03024      232.3582 -539.6562      413.6006 61.06372 28.11565 64.51461 31.68274 -3.450890      42.35901 
1 1 1 13  34 20 o 79.96458 31.18355 198.5780       210.9801 274.6293       246.3138 -10.93192      408.8253 88.86179 33.94641 80.37751 37.11065 8.484276       50.29473 
1 1 1 13  34 21 o 79.08218 32.76065 169.2305       248.4830 169.2305       248.4830 0.000000       0.000000 79.08218 32.76065 ?        ?        0.000000       32.76065 
1 1 1 13  34 22 o 76.87587 31.07943 170.1308       216.9231 273.8227       251.0049 -135.8227      431.1590 87.98973 34.09688 76.21056 36.10970 11.77917       49.66395 
1 1 1 13  34 23 o 61.36541 27.93304 -35.13449      220.7795 -2.897945      255.4521 -130.2959      438.9000 67.05441 30.33335 76.29478 36.23175 -9.240372      47.25306 
1 1 1 13  34 24 o 115.4595 32.52406 522.9897       229.5800 470.5412       266.4249 674.2546       452.4569 106.2897 35.95460 114.4812 45.35442 -8.191559      57.87708 
1 1 1 13  34 25 o 93.13631 32.58035 340.2189       219.3505 416.4204       251.7618 100.1034       446.9081 100.4562 34.91976 83.50645 38.64181 16.94971       52.08242 
1 1 1 13  34 26 o 81.22880 31.18330 236.8386       208.5303 229.4602       237.9420 261.2720       432.9947 81.29716 32.66171 89.00436 39.94372 -7.707199      51.59737 
1 1 1 13  34 27 o 98.24760 33.31746 396.4379       228.7841 177.4125       259.0992 1171.563       487.4217 77.56799 32.87506 143.4826 48.63105 -65.91465      58.70050 
1 1 1 13  34 28 o 55.15585 25.91418 -108.3438      213.6563 -142.3660      247.9332 -10.18390      421.1347 57.61110 27.32200 76.33904 36.02544 -18.72795      45.21421 
1 1 1 13  34 29 o 79.92815 30.87468 236.2638       205.3209 446.5590       256.1292 -141.8621      343.4493 100.8777 35.21161 66.16418 31.59686 34.71353       47.30982 
1 1 1 13  34 30 o 43.96037 21.76398 -366.2685      209.1092 -417.5781      257.8800 -267.7590      357.3202 48.78059 24.15373 63.01696 30.61790 -14.23636      38.99818 
1 1 1 13  34 31 o 67.06900 29.07872 96.09722       211.4272 54.44347       275.8744 155.3862       329.1328 69.13078 31.37214 77.53770 34.80921 -8.406921      46.86034 
1 1 1 13  35 0  o 177.4173 12.83627 948.2179       132.6596 378.6985       347.9665 1045.073       143.4973 107.0719 40.47742 186.1491 13.23037 -79.07718      42.58479 
1 1 1 13  35 1  o 94.14885 21.51800 286.0827       116.2129 -417.0278      341.6182 378.0987       123.5836 63.10346 30.48682 109.1346 20.04700 -46.03110      36.48737 
1 1 1 13  35 2  o 76.12218 23.69738 184.5581       117.0743 -375.0334      340.9984 259.3336       124.6512 64.36827 30.93589 89.08704 23.51690 -24.71877      38.85967 
1 1 1 13  35 3  o 60.60577 23.06992 89.43378       113.5029 277.1718       340.8330 66.01675       120.3736 98.35561 39.23423 58.42807 23.31325 39.92754       45.63806 
1 1 1 13  35 4  o 53.10568 22.58704 16.96115       123.0460 69.29887       327.2572 8.343964       132.7897 83.00649 36.08162 54.00317 23.22723 29.00332       42.91140 
1 1 1 13  35 5  o 140.2015 16.37874 605.9315       132.1395 562.3856       334.0995 614.0063       143.8704 122.8859 40.22837 140.5148 17.86125 -17.62892      44.01529 
1 1 1 13  35 6  o 121.5054 21.51294 473.7386       147.6918 0.000000       0.000000 473.7386       147.6918 ?        ?        121.5054 21.51294 0.000000       21.51294 
1 1 1 13  35 7  o 157.8678 16.25144 767.6584       148.3180 753.7535       320.9706 771.4337       167.2448 142.6019 37.78045 157.1740 18.49726 -14.57208      42.06555 
1 1 1 13  35 8  o 215.9249 12.49340 1405.701       157.5344 1550.442       353.9687 1369.951       175.9169 214.9464 28.80350 212.3032 14.21047 2.643173       32.11820 
1 1 1 13  35 9  o 122.2165 19.22348 473.7744       133.2433 63.08189       312.8145 564.8033       147.2714 80.09270 35.03722 133.5756 19.36318 -53.48292      40.03173 
1 1 1 13  35 10 o 117.7268 38.26040 525.0251       302.4846 525.0251       302.4846 0.000000       0.000000 117.7268 38.26040 ?        ?        0.000000       38.26040 
1 1 1 13  35 11 f 259.0235 21.83697 2143.981       328.6412 2143.981       328.6412 0.000000       0.000000 259.0235 21.83697 ?        ?        0.000000       21.83697 
1 1 1 13  35 12 o 97.87215 35.66611 336.3188       265.5912 336.3188       265.5912 0.000000       0.000000 97.87215 35.66611 ?        ?        0.000000       35.66611 
1 1 1 13  35 13 o 216.0751 22.45134 1510.390       280.3670 1510.390       280.3670 0.000000       0.000000 216.0751 22.45134 ?        ?        0.000000       22.45134 
1 1 1 13  35 14 o 104.4866 37.24136 409.0663       287.6581 409.0663       287.6581 0.000000       0.000000 104.4866 37.24136 ?        ?        0.000000       37.24136 
1 1 1 13  35 15 o 123.5837 35.52927 582.9001       271.2061 582.9001       271.2061 0.000000       0.000000 123.5837 35.52927 ?        ?        0.000000       35.52927 
1 1 1 13  35 16 o 46.71138 23.13665 -459.4503      237.3291 -459.4503      237.3291 0.000000       0.000000 46.71138 23.13665 ?        ?        0.000000       23.13665 
1 1 1 13  35 17 o 83.09544 33.32953 206.9570       247.3448 206.9570       247.3448 0.000000       0.000000 83.09544 33.32953 ?        ?        0.000000       33.32953 
1 1 1 13  35 18 o 84.73153 32.78078 238.5586       231.7190 238.5586       231.7190 0.000000       0.000000 84.73153 32.78078 ?        ?        0.000000       32.78078 
1 1 1 13  35 19 o 125.3992 32.06115 593.9205       236.6756 593.9205       236.6756 0.000000       0.000000 125.3992 32.06115 ?        ?        0.000000       32.06115 
1 1 1 13  35 20 o 108.8857 32.03296 453.4303       218.1903 396.6992       253.1049 617.5616       430.5125 100.3427 35.00455 114.0876 44.52922 -13.74490      56.64071 
1 1 1 13  35 21 o 86.33504 32.93038 266.8671       231.5597 229.9466       271.0774 366.5331       445.3824 84.24384 34.48655 97.48527 42.23566 -13.24143      54.52681 
1 1 1 13  35 22 o 97.92910 35.71135 389.0544       266.3311 389.0544       266.3311 0.000000       0.000000 97.92910 35.71135 ?        ?        0.000000       35.71135 
1 1 1 13  35 23 o 61.56233 27.86258 -13.25411      215.8465 -154.3743      253.0479 363.6629       413.5529 58.43975 27.68191 94.97683 40.92175 -36.53708      49.40524 
1 1 1 13  35 24 o 85.37569 32.64179 273.0442       227.8686 310.6759       270.5596 181.2140       422.6474 89.22791 35.15875 85.30280 38.75830 3.925117       52.32919 
1 1 1 13  35 25 o 112.6850 32.96281 517.0046       231.6046 715.1331       271.3030 -15.32398      444.7040 131.4942 34.68636 77.99828 36.87212 53.49587       50.62309 
1 1 1 13  35 26 o 76.13940 31.27400 183.6522       223.8804 216.3579       259.4288 88.23843       443.1107 80.29987 33.38783 81.19911 37.87982 -0.8992462     50.49384 
1 1 1 13  35 27 o 65.48398 28.88445 60.62283       216.6429 52.60141       262.6223 77.70726       383.2713 68.77602 30.96642 77.37402 35.79740 -8.598000      47.33258 
1 1 1 13  35 28 o 47.23148 22.97993 -247.9380      203.1680 -203.3793      262.3880 -314.6500      321.0548 56.32058 27.08578 58.47647 28.54736 -2.155895      39.35215 
1 1 1 13  35 29 o 70.24226 29.63676 134.8905       209.0148 165.1382       277.3905 95.15793       317.9203 76.19721 33.16924 74.20805 33.67698 1.989159       47.26878 
1 1 1 13  36 0  o 282.9990 11.20855 2401.265       185.6629 0.000000       0.000000 2401.265       185.6629 ?        ?        282.9990 11.20855 0.000000       11.20855 
1 1 1 13  36 1  o 248.9010 10.44627 1852.927       152.1500 1490.694       347.2700 1938.979       169.2604 210.0625 28.95784 254.1612 11.38411 -44.09865      31.11518 
1 1 1 13  36 2  f 95.58283 30.34060 314.9412       191.0083 -270.6089      334.3651 598.5908       232.7181 66.25544 31.50990 130.6494 30.86596 -64.39393      44.10874 
1 1 1 13  36 3  o 88.74380 22.90126 260.5266       119.9908 -26.13441      319.5346 307.5856       129.4657 75.47137 34.05334 96.36303 23.19021 -20.89166      41.19971 
1 1 1 13  36 4  o 166.2675 14.15433 843.9568       136.7107 1064.607       335.4156 799.9984       149.7106 172.0885 34.43689 160.9390 16.07627 11.14949       38.00455 
1 1 1 13  36 5  o 71.78197 24.89478 159.4216       127.9219 19.49600       337.9921 182.8162       138.2026 79.38450 35.48343 75.86241 25.89232 3.522087       43.92591 
1 1 1 13  36 6  o 75.32778 25.50788 180.9536       134.0974 -319.4090      338.9729 273.7881       146.0082 64.70660 31.03180 89.92161 26.13479 -25.21501      40.57092 
1 1 1 13  36 7  o 51.60854 23.03390 -30.03187      141.8699 252.9406       333.3642 -92.61555      156.7752 93.27126 38.22006 49.68159 22.95339 43.58967       44.58286 
1 1 1 13  36 8  o 129.9889 22.89305 554.7465       168.1537 0.000000       0.000000 554.7465       168.1537 ?        ?        129.9889 22.89305 0.000000       22.89305 
1 1 1 13  36 9  o 110.4425 21.37271 398.6418       133.4302 367.5775       307.2191 405.8637       148.1306 101.0246 38.06849 110.2966 23.61230 -9.271950      44.79677 
1 1 1 13  36 10 o 190.1121 17.17894 1127.631       189.4741 744.3522       278.3788 1458.442       258.6241 142.1737 33.87096 213.4015 20.93336 -71.22786      39.81768 
1 1 1 13  36 11 o 144.3237 36.14151 791.3082       305.2042 791.3082       305.2042 0.000000       0.000000 144.3237 36.14151 ?        ?        0.000000       36.14151 
1 1 1 13  36 12 o 201.1057 27.28618 1376.983       313.5293 1376.983       313.5293 0.000000       0.000000 201.1057 27.28618 ?        ?        0.000000       27.28618 
1 1 1 13  36 13 o 144.5282 35.24524 793.4557       296.0225 793.4557       296.0225 0.000000       0.000000 144.5282 35.24524 ?        ?        0.000000       35.24524 
1 1 1 13  36 14 o 87.44741 34.79285 245.0048       267.3546 245.0048       267.3546 0.000000       0.000000 87.44741 34.79285 ?        ?        0.000000       34.79285 
1 1 1 13  36 15 o 112.1762 36.52354 502.0370       275.5771 502.0370       275.5771 0.000000       0.000000 112.1762 36.52354 ?        ?        0.000000       36.52354 
1 1 1 13  36 16 o 67.10474 30.20028 -2.719365      249.4682 -2.719365      249.4682 0.000000       0.000000 67.10474 30.20028 ?        ?        0.000000       30.20028 
1 1 1 13  36 17 o 134.5293 32.16943 683.0339       250.3766 683.0339       250.3766 0.000000       0.000000 134.5293 32.16943 ?        ?        0.000000       32.16943 
1 1 1 13  36 18 o 50.38113 24.66863 -354.3148      245.0544 -354.3148      245.0544 0.000000       0.000000 50.38113 24.66863 ?        ?        0.000000       24.66863 
1 1 1 13  36 19 o 90.17098 33.50754 305.2875       236.3137 305.2875       236.3137 0.000000       0.000000 90.17098 33.50754 ?        ?        0.000000       33.50754 
1 1 1 13  36 20 o 141.7060 27.99835 725.8359       224.4315 872.2450       260.7150 306.8950       441.0203 153.5448 30.02840 93.29874 41.18007 60.24606       50.96570 
1 1 1 13  36 21 o 99.12416 33.36376 394.7714       229.4118 510.6633       269.4931 89.75372       437.2034 109.7128 36.14145 82.72328 38.25850 26.98956       52.63000 
1 1 1 13  36 22 o 58.49190 27.14190 -75.50331      222.8008 5.022594       263.4159 -277.9223      417.6379 67.17152 30.55071 68.75623 33.33512 -1.584709      45.21699 
1 1 1 13  36 23 o 65.21801 29.88818 -15.10183      258.3872 -15.10183      258.3872 0.000000       0.000000 65.21801 29.88818 ?        ?        0.000000       29.88818 
1 1 1 13  36 24 o 88.15149 32.97770 307.8287       229.6545 224.6709       272.0028 514.2762       428.5749 81.37558 34.03794 101.1536 42.54480 -19.77803      54.48524 
1 1 1 13  36 25 o 76.46447 31.35332 191.5740       224.5216 222.7212       262.6396 107.0205       432.7296 80.42419 33.52900 80.84129 37.61916 -0.4170990     50.39241 
1 1 1 13  36 26 f 114.2447 31.64701 529.7646       219.3255 532.9554       268.2713 523.3332       380.8688 108.9613 36.06646 101.1056 41.06997 7.855736       54.65833 
1 1 1 13  36 27 o 57.49332 26.24591 -23.03575      196.7128 -75.87738      259.0350 48.95451       302.3481 61.28896 28.71213 70.92555 32.43879 -9.636589      43.32045 
1 1 1 13  36 28 o 68.15080 28.96549 118.5756       202.1058 103.7704       274.1977 136.1873       299.0594 71.81836 32.04028 75.07220 33.47864 -3.253838      46.34003 
1 1 1 13  37 0  o 247.5360 15.49567 1885.861       223.8285 1360.888       344.3880 2269.792       294.5139 197.1120 30.79794 268.7145 18.80679 -71.60252      36.08613 
1 1 1 13  37 1  o 180.4635 13.00852 990.6118       136.7551 840.1371       333.7130 1020.982       149.9218 147.0522 38.31535 182.6527 14.10468 -35.60052      40.82901 
1 1 1 13  37 2  o 187.7849 13.11150 1072.980       143.4916 1216.301       332.8476 1040.263       159.0282 185.1634 31.79566 183.9416 14.86818 1.221802       35.10024 
1 1 1 13  37 3  o 171.7692 13.78626 902.1865       137.7155 429.8797       364.5363 980.8160       148.7379 106.3872 41.12743 178.8667 14.29782 -72.47957      43.54186 
1 1 1 13  37 4  o 105.1813 21.06994 362.2908       125.4386 -73.67107      349.2589 426.8554       134.4066 74.76041 34.43943 114.5466 20.77198 -39.78618      40.21877 
1 1 1 13  37 5  o 244.8580 10.82652 1802.044       155.0882 1881.513       355.9744 1783.426       172.3000 237.0914 26.02820 242.8312 12.13694 -5.739822      28.71885 
1 1 1 13  37 6  o 83.67721 25.95494 237.5309       140.5848 429.4903       326.0827 193.7040       155.8092 105.8370 39.35458 77.57014 27.43228 28.26682       47.97200 
1 1 1 13  37 7  o 50.62310 22.80510 -40.32297      142.6481 -190.3591      319.9161 -3.090163      159.3680 66.63571 31.43191 56.46680 24.84551 10.16891       40.06575 
1 1 1 13  37 8  o 51.42625 22.88159 -21.74293      138.8834 11.81217       293.5086 -31.42351      157.6494 73.51593 32.94788 53.85367 24.14053 19.66226       40.84517 
1 1 1 13  37 9  o 276.4531 17.12957 2386.438       276.3630 0.000000       0.000000 2386.438       276.3630 ?        ?        276.4531 17.12957 0.000000       17.12957 
1 1 1 13  37 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  37 11 o 117.0308 39.79079 571.1652       326.3440 571.1652       326.3440 0.000000       0.000000 117.0308 39.79079 ?        ?        0.000000       39.79079 
1 1 1 13  37 12 o 101.1478 37.46602 401.3250       295.0100 401.3250       295.0100 0.000000       0.000000 101.1478 37.46602 ?        ?        0.000000       37.46602 
1 1 1 13  37 13 o 176.9559 30.74714 1138.012       307.5213 1138.012       307.5213 0.000000       0.000000 176.9559 30.74714 ?        ?        0.000000       30.74714 
1 1 1 13  37 14 o 68.40366 31.31587 -34.43817      282.6885 -34.43817      282.6885 0.000000       0.000000 68.40366 31.31587 ?        ?        0.000000       31.31587 
1 1 1 13  37 15 o 74.73116 32.39440 104.4170       262.2867 104.4170       262.2867 0.000000       0.000000 74.73116 32.39440 ?        ?        0.000000       32.39440 
1 1 1 13  37 16 o 74.00288 32.50998 86.92839       271.8705 86.92839       271.8705 0.000000       0.000000 74.00288 32.50998 ?        ?        0.000000       32.50998 
1 1 1 13  37 17 o 114.6059 36.26192 547.2294       273.0309 547.2294       273.0309 0.000000       0.000000 114.6059 36.26192 ?        ?        0.000000       36.26192 
1 1 1 13  37 18 o 64.43425 29.87693 -66.73402      269.1994 -66.73402      269.1994 0.000000       0.000000 64.43425 29.87693 ?        ?        0.000000       29.87693 
1 1 1 13  37 19 o 64.17819 29.69152 -54.98954      263.6491 -54.98954      263.6491 0.000000       0.000000 64.17819 29.69152 ?        ?        0.000000       29.69152 
1 1 1 13  37 20 o 62.78291 29.10893 -61.39251      255.4608 -61.39251      255.4608 0.000000       0.000000 62.78291 29.10893 ?        ?        0.000000       29.10893 
1 1 1 13  37 21 o 99.84866 32.81745 407.4553       222.2484 480.4557       260.0379 209.6096       428.0923 105.5802 35.52094 85.82688 39.00064 19.75336       52.75212 
1 1 1 13  37 22 f 74.72982 30.82772 171.0108       218.7710 272.0397       251.3340 -144.8568      444.4071 84.69053 33.72174 73.44617 35.30336 11.24436       48.82093 
1 1 1 13  37 23 o 68.72047 30.80855 57.25628       256.8547 57.25628       256.8547 0.000000       0.000000 68.72047 30.80855 ?        ?        0.000000       30.80855 
1 1 1 13  37 24 o 62.62676 28.71009 -13.81299      238.6830 104.5819       284.5634 -294.7718      438.3630 73.00770 32.60089 68.06014 33.25437 4.947556       46.56900 
1 1 1 13  37 25 o 100.8597 33.62862 436.5354       233.1299 405.3441       287.0281 497.0024       399.6386 94.73627 36.52856 98.33204 41.20314 -3.595764      55.06391 
1 1 1 13  37 26 o 106.0517 32.18034 468.5852       217.6055 423.5905       277.8103 540.0184       350.0401 96.49767 36.23531 102.8796 40.15302 -6.381912      54.08570 
1 1 1 13  38 0  o 108.6044 20.47161 386.0322       125.6105 714.2039       312.7249 322.9017       137.1612 133.6153 38.06886 97.29780 24.15031 36.31751       45.08299 
1 1 1 13  38 1  o 178.4076 13.79633 976.3732       143.2327 462.1731       325.1108 1100.216       159.5516 107.5704 39.41963 189.0107 14.50425 -81.44035      42.00334 
1 1 1 13  38 2  o 72.13322 29.67675 119.1723       202.0221 -72.03630      310.2506 259.9270       266.1891 70.35072 32.42649 88.83009 34.91270 -18.47937      47.64844 
1 1 1 13  38 3  o 144.5789 15.37111 650.3116       128.3395 596.5612       331.8013 659.7681       139.1719 119.7287 40.12259 144.9178 16.67873 -25.18911      43.45114 
1 1 1 13  38 4  o 158.2684 14.27380 772.5757       131.0681 682.3088       336.2037 788.7532       142.3292 127.7366 40.21574 159.2804 15.42937 -31.54382      43.07402 
1 1 1 13  38 5  o 65.05335 24.67550 118.4684       129.5701 289.8968       329.4495 87.10001       140.9269 93.02390 38.04254 62.34953 25.10589 30.67437       45.58004 
1 1 1 13  38 6  o 73.21207 26.54256 169.8158       146.8316 330.3069       321.9962 127.6821       164.9835 95.65048 38.14145 69.36272 27.41653 26.28777       46.97272 
1 1 1 13  38 7  o 156.9283 16.73772 775.3726       151.6702 513.6588       321.9483 850.0244       171.9463 111.1122 39.41961 163.3435 18.26111 -52.23134      43.44391 
1 1 1 13  38 8  o 69.06870 25.50692 145.8066       136.5529 457.4725       307.4420 69.21181       152.4116 105.8440 38.40249 61.52809 25.58758 44.31591       46.14624 
1 1 1 13  38 9  o 83.09893 28.64661 241.7445       169.2818 66.08777       316.9910 311.8251       200.2228 76.88699 34.36549 91.99648 31.16875 -15.10950      46.39480 
1 1 1 13  38 10 o 166.4181 19.18319 893.9795       183.8065 566.2201       314.6423 1063.776       226.4667 115.1068 39.07176 179.2029 22.00979 -64.09608      44.84455 
1 1 1 13  38 11 o 66.04897 31.33913 -179.4829      326.9844 -179.4829      326.9844 0.000000       0.000000 66.04897 31.33913 ?        ?        0.000000       31.33913 
1 1 1 13  38 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  38 13 o 145.4088 34.43617 830.7844       289.1084 830.7844       289.1084 0.000000       0.000000 145.4088 34.43617 ?        ?        0.000000       34.43617 
1 1 1 13  38 14 o 113.8547 38.41243 563.7194       304.0913 563.7194       304.0913 0.000000       0.000000 113.8547 38.41243 ?        ?        0.000000       38.41243 
1 1 1 13  38 15 o 111.3024 38.28308 542.3638       302.2711 542.3638       302.2711 0.000000       0.000000 111.3024 38.28308 ?        ?        0.000000       38.28308 
1 1 1 13  38 16 o 84.35316 34.97911 242.2622       283.6691 242.2622       283.6691 0.000000       0.000000 84.35316 34.97911 ?        ?        0.000000       34.97911 
1 1 1 13  38 17 o 70.35007 31.76495 39.31395       278.6021 39.31395       278.6021 0.000000       0.000000 70.35007 31.76495 ?        ?        0.000000       31.76495 
1 1 1 13  38 18 o 63.27452 29.58016 -82.75516      272.5383 -82.75516      272.5383 0.000000       0.000000 63.27452 29.58016 ?        ?        0.000000       29.58016 
1 1 1 13  38 19 o 45.21881 22.76119 -662.6566      274.5775 -662.6566      274.5775 0.000000       0.000000 45.21881 22.76119 ?        ?        0.000000       22.76119 
1 1 1 13  38 20 o 90.98125 35.17252 343.5857       266.6192 343.5857       266.6192 0.000000       0.000000 90.98125 35.17252 ?        ?        0.000000       35.17252 
1 1 1 13  38 21 o 62.88422 28.59961 -0.4182791     230.8150 -199.1047      269.0975 552.6786       448.9792 57.41323 27.56419 101.7230 43.20090 -44.30974      51.24551 
1 1 1 13  38 22 o 50.17503 24.37984 -252.9266      226.6403 -262.5016      263.6387 -225.8128      443.6427 54.25669 26.34727 70.10210 34.07320 -15.84541      43.07159 
1 1 1 13  38 23 o 119.0552 32.63330 587.3746       234.5988 776.7451       283.4498 175.5429       418.0036 133.9720 35.50805 81.92144 37.71595 52.05058       51.80071 
1 1 1 13  38 24 o 78.39703 33.86992 197.9592       284.8077 197.9592       284.8077 0.000000       0.000000 78.39703 33.86992 ?        ?        0.000000       33.86992 
1 1 1 13  38 25 o 53.81244 25.68259 -152.8457      226.1823 -149.7181      280.8503 -158.6181      381.5479 59.72102 28.53434 67.31364 32.44582 -7.592621      43.20810 
1 1 1 13  39 0  o 156.4433 24.89368 838.2033       220.7549 361.4686       327.6665 1234.443       298.7259 96.60284 38.49082 186.8197 28.13701 -90.21684      47.67845 
1 1 1 13  39 1  o 96.34799 22.77230 317.0685       126.6284 141.9890       339.6063 345.3406       136.4700 82.31987 36.24317 100.1521 23.62018 -17.83224      43.26061 
1 1 1 13  39 2  o 178.8143 13.48798 984.6617       140.4061 764.7096       333.7711 1031.953       154.7659 133.5449 39.70466 182.3470 14.59364 -48.80211      42.30171 
1 1 1 13  39 3  o 61.56102 23.62937 103.6570       119.7248 18.19774       317.6634 117.8061       129.2565 74.04617 33.62713 64.40179 24.59376 9.644379       41.66098 
1 1 1 13  39 4  o 58.94318 23.85327 76.23479       127.9209 31.34752       326.7569 84.35949       139.0167 75.33498 34.16994 61.24076 24.83599 14.09422       42.24229 
1 1 1 13  39 5  o 89.50768 25.21430 282.1506       137.9788 162.3150       320.8262 309.3459       152.8354 82.18930 35.72588 92.95087 26.65558 -10.76157      44.57419 
1 1 1 13  39 6  o 133.2923 20.50064 585.3778       155.1327 232.7322       316.2868 697.0888       178.0164 86.44528 36.46431 144.7887 21.62584 -58.34343      42.39484 
1 1 1 13  39 7  o 141.7830 17.94287 645.4557       145.8635 939.0741       309.7778 561.8114       165.3396 154.6206 34.98160 128.9449 22.69190 25.67567       41.69694 
1 1 1 13  39 8  o 49.71168 22.47353 -36.00095      139.9532 521.9542       306.0859 -183.4821      157.3664 110.2345 38.49166 43.62569 20.97940 66.60879       43.83769 
1 1 1 13  39 9  f 159.8928 20.01873 837.2130       183.6196 857.8198       323.5495 827.4229       223.0119 143.1801 37.93112 154.1706 25.55944 -10.99042      45.73899 
1 1 1 13  39 10 o 148.9931 21.56646 741.1747       182.9753 796.4965       325.0993 715.5248       221.3660 135.9391 38.84208 140.9843 27.76101 -5.045197      47.74286 
1 1 1 13  39 11 o 98.86318 37.81830 410.1555       305.9782 410.1555       305.9782 0.000000       0.000000 98.86318 37.81830 ?        ?        0.000000       37.81830 
1 1 1 13  39 12 f 81.20499 35.11588 180.7738       306.7160 180.7738       306.7160 0.000000       0.000000 81.20499 35.11588 ?        ?        0.000000       35.11588 
1 1 1 13  39 13 o 202.5654 26.84892 1461.292       311.1177 1461.292       311.1177 0.000000       0.000000 202.5654 26.84892 ?        ?        0.000000       26.84892 
1 1 1 13  39 14 o 132.9608 37.05155 758.3710       299.6560 758.3710       299.6560 0.000000       0.000000 132.9608 37.05155 ?        ?        0.000000       37.05155 
1 1 1 13  39 15 o 63.70230 30.33390 -160.9592      311.8565 -160.9592      311.8565 0.000000       0.000000 63.70230 30.33390 ?        ?        0.000000       30.33390 
1 1 1 13  39 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  39 17 o 72.25480 32.42032 79.33775       285.0894 79.33775       285.0894 0.000000       0.000000 72.25480 32.42032 ?        ?        0.000000       32.42032 
1 1 1 13  39 18 o 72.88717 32.55467 94.80590       283.9321 94.80590       283.9321 0.000000       0.000000 72.88717 32.55467 ?        ?        0.000000       32.55467 
1 1 1 13  39 19 o 81.12523 34.54229 226.3098       288.3238 226.3098       288.3238 0.000000       0.000000 81.12523 34.54229 ?        ?        0.000000       34.54229 
1 1 1 13  39 20 o 67.77465 30.98855 25.57242       275.6510 25.57242       275.6510 0.000000       0.000000 67.77465 30.98855 ?        ?        0.000000       30.98855 
1 1 1 13  39 21 o 67.19814 30.65783 28.87243       267.8878 28.87243       267.8878 0.000000       0.000000 67.19814 30.65783 ?        ?        0.000000       30.65783 
1 1 1 13  39 22 o 65.24381 29.03751 57.02951       223.8203 275.9837       262.5328 -525.5426      428.2346 83.53990 34.03712 61.61793 30.61600 21.92197       45.78062 
1 1 1 13  39 23 o 94.36656 33.49410 387.2961       232.4567 316.3988       277.2999 554.8885       426.3456 86.35342 35.05624 99.45879 42.16275 -13.10537      54.83281 
1 1 1 13  40 0  o 153.6623 17.21084 754.7036       152.4411 793.6313       332.2049 744.3203       171.5713 134.5285 39.51231 150.5679 19.91755 -16.03941      44.24852 
1 1 1 13  40 1  o 71.64562 25.67413 169.7725       136.9035 -41.04401      356.8618 206.1534       148.2463 73.32658 34.13583 77.11932 26.79658 -3.792747      43.39713 
1 1 1 13  40 2  o 52.71091 22.77667 20.89037       128.8406 -396.0514      333.8422 93.85962       139.6605 58.91943 28.83745 62.02115 24.98609 -3.101719      38.15630 
1 1 1 13  40 3  o 64.18787 24.51974 119.9837       128.5056 -70.08450      324.6922 155.2854       139.9315 69.49564 32.42191 69.74010 25.80869 -0.2444534     41.43994 
1 1 1 13  40 4  o 78.70619 26.15636 217.9343       141.0614 351.5842       331.7892 188.4461       155.8481 93.99710 38.27673 74.81351 27.31228 19.18359       47.02201 
1 1 1 13  40 5  o 42.74239 20.48351 -160.8492      147.1034 -161.4174      326.6826 -160.7047      164.7516 65.81444 31.25584 45.87208 21.90019 19.94236       38.16472 
1 1 1 13  40 6  o 91.64069 27.15536 307.3129       156.3348 230.1194       308.7099 333.9375       181.3017 84.64824 35.88063 94.06261 29.52086 -9.414375      46.46397 
1 1 1 13  40 7  o 139.7932 18.56584 635.9931       148.4531 820.6677       313.3228 582.5350       168.5758 138.9768 37.55649 130.5402 22.85120 8.436584       43.96211 
1 1 1 13  40 8  o 68.50022 29.14635 99.88216       205.0307 -354.3895      318.6149 420.9507       267.8595 58.18709 28.41316 99.99491 35.90266 -41.80782      45.78546 
1 1 1 13  40 9  o 98.95175 30.47215 379.8985       194.1881 0.000000       0.000000 379.8985       194.1881 ?        ?        98.95175 30.47215 0.000000       30.47215 
1 1 1 13  40 10 o 195.3163 16.25626 1212.402       184.5262 1326.920       328.0605 1159.403       223.1775 187.2116 30.96056 186.5956 20.74402 0.6160126      37.26755 
1 1 1 13  40 11 o 73.85982 33.71466 49.85074       324.5172 49.85074       324.5172 0.000000       0.000000 73.85982 33.71466 ?        ?        0.000000       33.71466 
1 1 1 13  40 12 o 168.7151 35.28075 1164.228       337.8475 1164.228       337.8475 0.000000       0.000000 168.7151 35.28075 ?        ?        0.000000       35.28075 
1 1 1 13  40 13 o 105.9465 38.20695 519.0223       303.7329 519.0223       303.7329 0.000000       0.000000 105.9465 38.20695 ?        ?        0.000000       38.20695 
1 1 1 13  40 14 o 152.3191 33.35794 934.1335       289.7213 934.1335       289.7213 0.000000       0.000000 152.3191 33.35794 ?        ?        0.000000       33.35794 
1 1 1 13  40 15 o 116.9140 36.39839 606.0983       276.1965 606.0983       276.1965 0.000000       0.000000 116.9140 36.39839 ?        ?        0.000000       36.39839 
1 1 1 13  40 16 o 80.07650 34.33080 210.4121       288.3444 210.4121       288.3444 0.000000       0.000000 80.07650 34.33080 ?        ?        0.000000       34.33080 
1 1 1 13  40 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  40 18 o 74.18572 33.21012 121.2018       297.2783 121.2018       297.2783 0.000000       0.000000 74.18572 33.21012 ?        ?        0.000000       33.21012 
1 1 1 13  40 19 o 75.14143 33.40300 142.0183       295.2868 142.0183       295.2868 0.000000       0.000000 75.14143 33.40300 ?        ?        0.000000       33.40300 
1 1 1 13  40 20 o 84.57674 34.48579 290.6957       269.7467 290.6957       269.7467 0.000000       0.000000 84.57674 34.48579 ?        ?        0.000000       34.48579 
1 1 1 13  40 21 o 78.71690 33.69265 217.8168       276.8892 217.8168       276.8892 0.000000       0.000000 78.71690 33.69265 ?        ?        0.000000       33.69265 
1 1 1 13  41 0  o 95.74474 33.35034 373.4834       229.7010 -124.4318      336.5117 807.8805       314.3156 67.22487 31.86649 135.7542 37.99004 -68.52931      49.58545 
1 1 1 13  41 1  o 71.98627 26.86629 172.7982       152.2400 -470.4105      366.8400 306.6258       167.3299 59.29467 29.25786 90.19017 28.36826 -30.89550      40.75267 
1 1 1 13  41 2  o 134.4283 20.51118 604.8616       156.5950 595.2871       347.6566 607.2986       175.3953 111.0572 40.75270 132.2852 23.46698 -21.22804      47.02639 
1 1 1 13  41 3  o 59.82793 25.03790 71.26424       147.2927 -235.4646      329.9586 147.5972       164.6032 62.63604 30.18653 69.58209 27.42162 -6.946049      40.78201 
1 1 1 13  41 4  o 86.16817 26.81973 273.9800       149.9657 402.5516       337.1766 242.2739       167.4387 95.70988 38.72839 81.20166 28.46085 14.50822       48.06150 
1 1 1 13  41 5  o 71.45120 26.77811 169.8831       151.5645 -5.195683      334.8981 214.9790       169.9669 71.79891 33.30287 77.66072 28.49517 -5.861809      43.82985 
1 1 1 13  41 6  o 135.5390 20.39568 615.3010       157.1063 538.4701       339.4223 636.2495       177.2349 106.1289 40.00916 135.5738 23.11925 -29.44488      46.20858 
1 1 1 13  41 7  o 87.85246 26.78709 286.4711       150.5334 397.2979       330.3814 257.4352       169.1070 94.93808 38.36488 82.98638 28.63078 11.95170       47.87051 
1 1 1 13  41 8  o 91.85200 30.33072 331.4570       189.7634 256.9106       328.7678 368.7002       232.3806 84.94720 36.54224 94.35707 33.48883 -9.409874      49.56649 
1 1 1 13  41 9  o 68.26676 27.53514 136.3776       169.8318 129.0504       325.6068 139.1160       199.0530 77.16929 34.63475 70.49036 29.27210 6.678925       45.34779 
1 1 1 13  41 10 o 94.93324 27.74561 342.5967       164.1549 -302.3449      319.6809 573.5517       191.3023 58.96794 28.72061 124.6493 26.95452 -65.68132      39.38807 
1 1 1 13  41 11 o 81.99393 35.48694 224.6921       313.7603 224.6921       313.7603 0.000000       0.000000 81.99393 35.48694 ?        ?        0.000000       35.48694 
1 1 1 13  41 12 o 89.77528 36.74003 341.2264       307.5472 341.2264       307.5472 0.000000       0.000000 89.77528 36.74003 ?        ?        0.000000       36.74003 
1 1 1 13  41 13 o 92.79227 35.83587 377.0312       276.5630 377.0312       276.5630 0.000000       0.000000 92.79227 35.83587 ?        ?        0.000000       35.83587 
1 1 1 13  41 14 o 133.9702 33.60114 747.7898       263.5099 747.7898       263.5099 0.000000       0.000000 133.9702 33.60114 ?        ?        0.000000       33.60114 
1 1 1 13  41 15 o 114.3202 36.01504 591.7544       269.5948 591.7544       269.5948 0.000000       0.000000 114.3202 36.01504 ?        ?        0.000000       36.01504 
1 1 1 13  41 16 o 138.5014 35.70856 836.9019       291.9088 836.9019       291.9088 0.000000       0.000000 138.5014 35.70856 ?        ?        0.000000       35.70856 
1 1 1 13  41 17 o 134.3016 35.40235 786.8347       282.7450 786.8347       282.7450 0.000000       0.000000 134.3016 35.40235 ?        ?        0.000000       35.40235 
1 1 1 13  41 18 o 80.29255 33.86458 239.0853       272.7380 239.0853       272.7380 0.000000       0.000000 80.29255 33.86458 ?        ?        0.000000       33.86458 
1 1 1 13  41 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  42 0  o 78.41753 28.07833 226.8770       163.7091 215.3163       359.9883 229.8912       183.8162 82.59472 36.78871 78.88490 29.50510 3.709824       47.15888 
1 1 1 13  42 1  o 129.7564 23.40200 591.2818       171.5365 678.7947       378.1928 568.6152       192.4735 113.1667 42.32276 123.5022 27.30023 -10.33551      50.36386 
1 1 1 13  42 2  o 136.9722 21.36783 640.4995       166.0494 340.8243       341.4965 733.2900       190.0258 89.66548 37.85965 145.0388 23.11494 -55.37334      44.35824 
1 1 1 13  42 3  o 66.46013 26.20228 134.1297       150.3463 119.7993       345.2741 137.4826       167.0110 77.17762 35.05272 67.94698 27.34091 9.230644       44.45468 
1 1 1 13  42 4  o 86.42932 26.33468 278.7464       145.5253 393.2396       353.3723 255.3633       159.6958 93.09213 38.85719 82.32204 27.83650 10.77010       47.79908 
1 1 1 13  42 5  o 68.68163 26.53360 152.2589       151.6559 495.3553       346.7902 71.12854       168.6360 100.5174 39.74326 61.56565 26.32139 38.95171       47.66909 
1 1 1 13  42 6  o 50.13841 23.19977 -64.37975      161.0574 -823.3552      355.5928 131.5020       180.6492 50.34416 25.41107 68.21080 28.06303 -17.86664      37.85838 
1 1 1 13  42 7  o 69.77310 27.26474 157.6924       161.5515 394.7434       349.1667 93.12477       182.2297 93.00148 38.70701 64.74509 27.51065 28.25639       47.48756 
1 1 1 13  42 8  o 50.36656 23.85822 -128.3838      187.9861 -646.9540      351.4872 79.37936       222.4794 53.15570 26.61543 66.99228 29.42028 -13.83658      39.67284 
1 1 1 13  42 9  o 142.7010 27.70542 761.8365       223.5067 0.000000       0.000000 761.8365       223.5067 ?        ?        142.7010 27.70542 0.000000       27.70542 
1 1 1 13  42 10 o 76.90099 27.48537 218.5638       156.7936 239.0569       321.4221 212.1644       179.6138 82.03819 35.70846 76.30237 29.02669 5.735825       46.01785 
1 1 1 13  42 11 o 71.56323 32.79639 61.14874       311.1277 61.14874       311.1277 0.000000       0.000000 71.56323 32.79639 ?        ?        0.000000       32.79639 
1 1 1 13  42 12 o 93.54694 37.16705 408.8250       304.6705 408.8250       304.6705 0.000000       0.000000 93.54694 37.16705 ?        ?        0.000000       37.16705 
1 1 1 13  42 13 o 96.09515 37.00123 436.1720       294.2142 436.1720       294.2142 0.000000       0.000000 96.09515 37.00123 ?        ?        0.000000       37.00123 
1 1 1 13  42 14 o 88.25636 35.49552 340.3087       281.3424 340.3087       281.3424 0.000000       0.000000 88.25636 35.49552 ?        ?        0.000000       35.49552 
1 1 1 13  42 15 o 57.70795 28.19956 -299.4021      315.4945 -299.4021      315.4945 0.000000       0.000000 57.70795 28.19956 ?        ?        0.000000       28.19956 
1 1 1 13  42 16 o 73.76852 33.53695 114.8642       317.0110 114.8642       317.0110 0.000000       0.000000 73.76852 33.53695 ?        ?        0.000000       33.53695 
1 1 1 13  43 0  o 58.28968 27.43568 -93.70247      241.3770 -208.3356      353.2665 6.679574       330.5791 63.88274 30.89708 70.18002 32.73233 -6.297272      45.01150 
1 1 1 13  43 1  o 64.03772 26.70326 104.5208       166.6426 231.8938       391.3073 76.30319       184.1785 82.97520 37.53833 63.03706 27.23543 19.93815       46.37774 
1 1 1 13  43 2  o 82.16824 28.17552 259.9621       163.6932 -90.42819      370.3021 345.0616       182.4919 68.94865 32.89407 92.72356 29.68150 -23.77492      44.30588 
1 1 1 13  43 3  o 47.15521 22.06489 -85.19278      152.2262 -211.3166      388.2451 -62.28111      165.4763 66.25794 32.12783 50.62658 23.45713 15.63136       39.77983 
1 1 1 13  43 4  o 51.12036 23.53485 -48.26571      162.7489 -648.8887      361.2253 104.7088       182.3000 53.58966 26.85423 65.25735 27.61290 -11.66769      38.51781 
1 1 1 13  43 5  o 54.78783 23.72798 37.84814       140.4642 -83.50156      371.4742 58.09331       151.7294 69.09516 32.95901 58.05252 24.89640 11.04264       41.30529 
1 1 1 13  43 6  o 56.70648 24.60696 43.97731       151.6653 -255.7559      364.1546 106.8804       166.8225 63.06080 30.70044 64.12594 26.72711 -1.065140      40.70449 
1 1 1 13  43 7  o 65.55768 28.18072 97.87914       195.2540 -87.46086      356.2059 177.4876       233.4512 67.85469 32.34145 74.25498 31.32512 -6.400291      45.02480 
1 1 1 13  43 8  o 71.93140 29.62060 167.0386       201.4980 -671.3626      372.2538 514.4899       239.6405 53.98623 27.08243 108.2250 33.93602 -54.23874      43.41787 
1 1 1 13  43 9  o 116.9605 27.86856 526.2937       188.4331 663.6522       365.6306 476.6170       219.8828 109.9835 41.51125 105.8228 32.39566 4.160652       52.65608 
1 1 1 13  43 10 o 157.1979 18.09154 816.4941       163.7533 295.3975       345.5152 967.4495       185.9655 84.89445 36.98614 170.3380 18.93492 -85.44354      41.55124 
1 1 1 13  43 11 o 79.55333 35.43681 207.2174       334.0840 207.2174       334.0840 0.000000       0.000000 79.55333 35.43681 ?        ?        0.000000       35.43681 
1 1 1 13  43 12 o 91.16556 37.57692 397.7725       324.6937 397.7725       324.6937 0.000000       0.000000 91.16556 37.57692 ?        ?        0.000000       37.57692 
1 1 1 13  43 13 o 91.69358 37.70562 411.8814       325.9117 411.8814       325.9117 0.000000       0.000000 91.69358 37.70562 ?        ?        0.000000       37.70562 
1 1 1 13  44 0  o 113.8984 27.03386 495.7845       177.8600 475.2663       391.6397 501.1158       199.6342 94.44629 40.23768 111.2472 29.94176 -16.80091      50.15556 
1 1 1 13  44 1  o 87.86875 31.31810 323.0312       203.4302 -352.3152      406.7117 548.3661       234.9296 63.11632 31.07895 112.2863 33.29260 -49.17002      45.54446 
1 1 1 13  44 2  o 72.25828 27.78329 186.2596       165.7160 -359.3132      415.3566 289.5443       180.7227 63.55743 31.31762 84.80573 29.57917 -21.24830      43.07808 
1 1 1 13  44 3  o 91.77367 26.96134 325.9052       154.6605 336.7383       440.6631 324.3833       165.1675 87.18617 39.59897 90.57331 28.13915 -3.387138      48.57870 
1 1 1 13  44 4  o 120.2417 23.09665 515.6579       156.9569 57.53209       435.5164 584.0425       168.2641 76.40617 36.22854 127.9646 23.27805 -51.55846      43.06245 
1 1 1 13  44 5  o 64.37515 24.25321 136.4313       124.6828 439.1536       443.9899 110.5142       129.9105 91.77307 40.86778 61.29860 24.29696 30.47447       47.54491 
1 1 1 13  44 6  o 55.43697 24.31660 32.46204       151.5752 -465.7187      401.2179 115.4016       163.7072 60.12010 29.83119 64.40556 26.62760 -4.285461      39.98661 
1 1 1 13  44 7  o 60.39759 26.97558 36.02240       194.9396 676.5098       381.3208 -190.5931      226.8193 108.2781 42.00756 51.90561 25.01834 56.37245       48.89328 
1 1 1 13  44 8  o 85.23346 32.27988 308.3788       221.5310 55.76918       344.2502 486.9279       289.4197 71.86650 33.47997 99.31602 37.04766 -27.44952      49.93433 
1 1 1 14  0  0  o 239.6023 20.58287 1723.715       284.1240 1723.715       284.1240 1723.715       284.1240 239.6023 20.58287 239.6023 20.58287 0.000000       0.000000 
1 1 1 14  0  1  o 87.50501 42.14708 332.5112       250.5873 332.5112       250.5873 332.5112       250.5873 87.50501 42.14708 87.50501 42.14708 0.000000       0.000000 
1 1 1 14  0  2  o 370.4459 19.04378 4062.817       411.2316 4062.817       411.2316 4062.817       411.2316 370.4459 19.04378 370.4459 19.04378 0.000000       0.000000 
1 1 1 14  0  3  o 259.5535 21.80079 2021.332       326.2700 2021.332       326.2700 2021.332       326.2700 259.5535 21.80079 259.5535 21.80079 0.000000       0.000000 
1 1 1 14  0  4  o 1130.751 37.30114 37866.48       2467.553 37866.48       2467.553 37866.48       2467.553 1130.751 37.30114 1130.751 37.30114 0.000000       0.000000 
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 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  12 f 199.7829 27.84669 1241.751       308.1528 1241.751       308.1528 1241.751       308.1528 199.7829 27.84669 199.7829 27.84669 0.000000       0.000000 
1 1 1 14  0  13 o 145.9223 39.11929 748.9724       289.2657 748.9724       289.2657 748.9724       289.2657 145.9223 39.11929 145.9223 39.11929 0.000000       0.000000 
1 1 1 14  0  14 o 130.8411 39.35810 625.1354       263.1867 625.1354       263.1867 625.1354       263.1867 130.8411 39.35810 130.8411 39.35810 0.000000       0.000000 
1 1 1 14  0  15 o 467.8120 15.34220 6450.432       419.9028 6450.432       419.9028 6450.432       419.9028 467.8120 15.34220 467.8120 15.34220 0.000000       0.000000 
1 1 1 14  0  16 o 39.46516 27.65384 -250.5325      241.1122 -250.5325      241.1122 -250.5325      241.1122 39.46516 27.65384 39.46516 27.65384 0.000000       0.000000 
1 1 1 14  0  17 o 547.6123 15.86679 8838.261       508.6119 8838.261       508.6119 8838.261       508.6119 547.6123 15.86679 547.6123 15.86679 0.000000       0.000000 
1 1 1 14  0  18 o 46.69113 30.42234 -17.26080      202.0998 -17.26080      202.0998 -17.26080      202.0998 46.69113 30.42234 46.69113 30.42234 0.000000       0.000000 
1 1 1 14  0  19 o 86.24685 36.79016 313.8567       189.4451 313.8567       189.4451 313.8567       189.4451 86.24685 36.79016 86.24685 36.79016 0.000000       0.000000 
1 1 1 14  0  20 o 41.53455 27.51939 -42.92601      176.2423 -42.92601      176.2423 -42.92601      176.2423 41.53455 27.51939 41.53455 27.51939 0.000000       0.000000 
1 1 1 14  0  21 o 553.6628 15.20620 9042.963       492.9186 9042.963       492.9186 9042.963       492.9186 553.6628 15.20620 553.6628 15.20620 0.000000       0.000000 
1 1 1 14  0  22 o 28.93242 20.33837 -147.4605      133.5796 -147.4605      133.5796 -147.4605      133.5796 28.93242 20.33837 28.93242 20.33837 0.000000       0.000000 
1 1 1 14  0  23 o 113.3060 27.83335 442.2749       160.1549 442.2749       160.1549 442.2749       160.1549 113.3060 27.83335 113.3060 27.83335 0.000000       0.000000 
1 1 1 14  0  24 o 32.35843 22.57006 -146.2412      155.4485 -146.2412      155.4485 -146.2412      155.4485 32.35843 22.57006 32.35843 22.57006 0.000000       0.000000 
1 1 1 14  0  25 o 116.1060 21.55572 437.0791       131.9176 437.0791       131.9176 437.0791       131.9176 116.1060 21.55572 116.1060 21.55572 0.000000       0.000000 
1 1 1 14  0  26 o 131.7152 19.29212 544.1789       139.6858 544.1789       139.6858 544.1789       139.6858 131.7152 19.29212 131.7152 19.29212 0.000000       0.000000 
1 1 1 14  0  27 o 56.95399 30.85078 138.0813       144.3059 138.0813       144.3059 138.0813       144.3059 56.95399 30.85078 56.95399 30.85078 0.000000       0.000000 
1 1 1 14  0  28 o 23.23667 17.01297 -374.0595      147.1907 -374.0595      147.1907 -374.0595      147.1907 23.23667 17.01297 23.23667 17.01297 0.000000       0.000000 
1 1 1 14  0  29 o 285.2097 11.98285 2405.615       199.6290 2405.615       199.6290 2405.615       199.6290 285.2097 11.98285 285.2097 11.98285 0.000000       0.000000 
1 1 1 14  0  30 o 64.49577 32.53617 183.8992       152.2371 183.8992       152.2371 183.8992       152.2371 64.49577 32.53617 64.49577 32.53617 0.000000       0.000000 
1 1 1 14  0  31 o 55.10156 31.13801 122.3949       154.2765 122.3949       154.2765 122.3949       154.2765 55.10156 31.13801 55.10156 31.13801 0.000000       0.000000 
1 1 1 14  0  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  33 o 40.91314 26.73129 -13.29028      157.5876 -13.29028      157.5876 -13.29028      157.5876 40.91314 26.73129 40.91314 26.73129 0.000000       0.000000 
1 1 1 14  0  34 o 44.74269 28.58743 18.50265       167.3134 18.50265       167.3134 18.50265       167.3134 44.74269 28.58743 44.74269 28.58743 0.000000       0.000000 
1 1 1 14  0  35 o 105.8462 31.32447 414.1058       169.0906 414.1058       169.0906 414.1058       169.0906 105.8462 31.32447 105.8462 31.32447 0.000000       0.000000 
1 1 1 14  0  36 o 100.9475 34.10638 399.0734       180.5771 399.0734       180.5771 399.0734       180.5771 100.9475 34.10638 100.9475 34.10638 0.000000       0.000000 
1 1 1 14  0  37 o 31.75350 22.40993 -188.6089      167.3007 -188.6089      167.3007 -188.6089      167.3007 31.75350 22.40993 31.75350 22.40993 0.000000       0.000000 
1 1 1 14  0  38 o 31.17041 22.02089 -185.2450      162.8920 -185.2450      162.8920 -185.2450      162.8920 31.17041 22.02089 31.17041 22.02089 0.000000       0.000000 
1 1 1 14  0  39 o 61.88900 33.39055 178.2631       168.3970 178.2631       168.3970 178.2631       168.3970 61.88900 33.39055 61.88900 33.39055 0.000000       0.000000 
1 1 1 14  0  40 o 33.46783 23.17490 -113.1546      156.2209 -113.1546      156.2209 -113.1546      156.2209 33.46783 23.17490 33.46783 23.17490 0.000000       0.000000 
1 1 1 14  0  41 o 39.67291 25.82313 3.547732       145.0878 3.547732       145.0878 3.547732       145.0878 39.67291 25.82313 39.67291 25.82313 0.000000       0.000000 
1 1 1 14  0  42 o 50.81768 29.63374 109.3945       146.3273 109.3945       146.3273 109.3945       146.3273 50.81768 29.63374 50.81768 29.63374 0.000000       0.000000 
1 1 1 14  0  43 o 31.92727 22.42172 -152.1684      161.1477 -152.1684      161.1477 -152.1684      161.1477 31.92727 22.42172 31.92727 22.42172 0.000000       0.000000 
1 1 1 14  0  44 o 184.6989 17.38555 1063.248       184.2625 1063.248       184.2625 1063.248       184.2625 184.6989 17.38555 184.6989 17.38555 0.000000       0.000000 
1 1 1 14  0  45 o 126.5134 28.69768 575.2071       185.6484 575.2071       185.6484 575.2071       185.6484 126.5134 28.69768 126.5134 28.69768 0.000000       0.000000 
1 1 1 14  0  46 o 64.03304 35.00505 210.5029       187.5145 210.5029       187.5145 210.5029       187.5145 64.03304 35.00505 64.03304 35.00505 0.000000       0.000000 
1 1 1 14  0  47 o 67.86169 36.66139 243.1880       203.2599 243.1880       203.2599 243.1880       203.2599 67.86169 36.66139 67.86169 36.66139 0.000000       0.000000 
1 1 1 14  1  0  o 805.4560 15.81108 19069.54       746.8853 19325.52       1301.615 18943.87       911.9638 808.4410 27.49262 802.3175 19.38121 6.123474       33.63741 
1 1 1 14  1  1  o 292.2109 13.40239 2513.418       229.0716 2693.983       305.9044 2282.907       345.6339 302.1752 17.33415 277.6008 21.39472 24.57440       27.53555 
1 1 1 14  1  2  o 447.8959 13.55708 5898.382       355.7079 5886.593       494.6484 5911.007       511.8883 446.8849 18.91620 447.7347 19.54119 -0.8498535     27.19707 
1 1 1 14  1  3  o 424.9387 13.92182 5310.594       346.4863 5090.960       473.7565 5563.176       508.0503 415.4578 19.49804 434.2751 20.00134 -18.81726      27.93255 
1 1 1 14  1  4  o 219.9173 17.05105 1430.662       218.2013 1547.148       293.9406 1287.682       325.6575 228.0838 22.25714 207.0257 27.50132 21.05814       35.37941 
1 1 1 14  1  5  o 572.4736 22.00928 9669.866       737.5680 9669.866       737.5680 0.000000       0.000000 572.4736 22.00928 ?        ?        0.000000       22.00928 
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 399.5570 13.30546 4696.294       311.3528 5210.955       448.9558 4219.415       432.1630 420.3382 18.25538 377.9838 19.56158 42.35446       26.75658 
1 1 1 14  1  12 o 426.4076 11.99006 5345.438       299.5472 4912.848       405.8998 5862.799       443.8927 408.2359 16.99055 446.0217 17.00072 -37.78574      24.03546 
1 1 1 14  1  13 o 430.3073 11.59962 5443.280       292.4668 5536.591       428.1279 5361.632       400.4764 433.3840 16.87645 426.5801 16.03613 6.803833       23.28030 
1 1 1 14  1  14 o 242.7274 13.76209 1737.954       195.1061 1826.615       283.4479 1658.122       268.9648 248.1214 19.63868 236.3357 19.58068 11.78577       27.73231 
1 1 1 14  1  15 o 318.8388 11.84964 2991.975       221.1926 3130.354       322.2856 2868.748       304.1304 325.5277 16.93944 311.6236 16.70200 13.90405       23.78868 
1 1 1 14  1  16 o 103.0432 27.47415 326.6775       169.0601 223.6452       246.4554 418.2477       232.3425 94.69476 34.37952 116.6259 32.67186 -21.93117      47.42786 
1 1 1 14  1  17 o 47.67978 22.29882 -152.0553      155.1376 -353.1873      218.8736 51.01474       219.9256 50.21377 24.29423 74.76228 30.88168 -24.54851      39.29234 
1 1 1 14  1  18 o 343.2683 9.983471 3466.152       200.7725 3196.490       271.8804 3789.572       297.7501 329.1086 14.11885 358.3811 14.19437 -29.27243      20.02054 
1 1 1 14  1  19 o 76.58748 25.21710 167.6108       131.2037 157.1981       189.6296 177.1733       181.7228 81.23593 30.04765 82.78134 29.58950 -1.545410      42.17108 
1 1 1 14  1  20 o 121.3001 19.10497 446.2974       131.4210 367.8596       187.8589 521.4792       183.9185 108.7638 28.94413 130.0795 25.01660 -21.31571      38.25694 
1 1 1 14  1  21 o 158.5096 12.53093 745.0813       115.5432 637.3122       175.9294 826.8238       153.2199 144.8755 21.34474 166.4983 15.88340 -21.62286      26.60602 
1 1 1 14  1  22 o 89.42776 19.89101 246.9461       101.6281 209.5504       142.1784 286.0131       145.3209 83.70806 26.12345 95.95959 25.42048 -12.25153      36.45045 
1 1 1 14  1  23 o 123.0419 13.96601 452.9041       98.99960 315.6983       136.9446 603.1059       143.2835 100.7177 23.59914 141.5073 17.64750 -40.78963      29.46784 
1 1 1 14  1  24 o 178.2985 9.827785 938.8110       102.3695 1066.503       143.1859 805.2992       146.4128 189.6072 12.95423 164.2043 15.38259 25.40283       20.11060 
1 1 1 14  1  25 o 39.83752 18.30586 -70.85419      97.81863 -96.06438      150.3527 -52.35185      128.8061 50.08932 22.89627 48.90028 21.87780 1.189034       31.66823 
1 1 1 14  1  26 o 35.72293 16.81692 -97.70782      90.75974 -147.7491      128.6473 -48.12086      128.0620 41.82236 19.78892 49.09483 21.89998 -7.272465      29.51627 
1 1 1 14  1  27 o 152.5300 12.18337 691.0121       108.0813 688.7431       148.7833 693.5472       157.2697 151.3618 17.05719 151.6791 18.03197 -0.3172913     24.82136 
1 1 1 14  1  28 o 80.86655 22.66141 201.6851       111.7586 200.8958       153.3964 202.5779       163.1557 82.89764 27.26514 83.85579 28.13568 -0.9581451     39.17913 
1 1 1 14  1  29 o 210.0347 10.06990 1302.477       123.6800 1221.678       172.9817 1386.981       176.9043 202.6167 14.65614 216.0798 14.03557 -13.46306      20.29284 
1 1 1 14  1  30 o 110.6919 24.53855 383.5417       155.1158 450.7917       172.9390 106.8016       350.8187 119.9988 25.36804 93.57939 38.86048 26.41943       46.40770 
1 1 1 14  1  31 o 177.0269 11.34972 929.0850       117.2145 907.6096       165.5244 950.6863       166.0092 173.9262 16.42173 178.1247 16.06365 -4.198563      22.97203 
1 1 1 14  1  32 o 201.7439 10.74670 1205.349       126.6941 1295.477       184.8396 1125.486       173.9966 208.1619 15.24635 193.9041 15.42753 14.25786       21.69009 
1 1 1 14  1  33 o 226.7289 11.94606 1526.188       158.2876 1113.346       355.4782 1628.289       176.7804 185.4028 33.94279 233.9664 12.93371 -48.56357      36.32346 
1 1 1 14  1  34 o 139.4074 15.10380 585.8888       121.5171 420.9959       176.5611 734.2897       167.4991 114.6949 26.74280 155.1933 18.78488 -40.49836      32.68102 
1 1 1 14  1  35 o 211.0157 10.51003 1320.826       129.6583 1499.945       196.1246 1181.763       172.8094 223.6042 15.04306 198.3877 14.96288 25.21654       21.21748 
1 1 1 14  1  36 o 32.59280 16.21877 -298.6730      122.0057 -340.0811      184.9680 -266.7824      162.3251 43.63914 21.38091 42.33710 20.58543 1.302036       29.68002 
1 1 1 14  1  37 o 57.56690 23.08158 58.82935       118.5793 54.99039       164.7673 62.95397       170.7877 64.28877 26.65876 65.93620 27.22279 -1.647423      38.10210 
1 1 1 14  1  38 o 63.10242 23.51449 104.0807       116.5349 -23.75130      163.3166 236.6822       166.3354 56.51603 24.99700 85.64700 28.40118 -29.13098      37.83486 
1 1 1 14  1  39 o 112.4076 18.34073 398.6369       116.7448 321.9013       162.1235 481.2829       168.2512 97.46771 27.28712 120.7062 24.60280 -23.23853      36.74078 
1 1 1 14  1  40 o 58.14902 22.54046 79.43244       109.7192 189.6651       158.2558 -22.59367      152.2510 77.86848 27.63634 54.15906 24.03549 23.70942       36.62611 
1 1 1 14  1  41 o 105.9534 18.38582 358.8966       110.1071 435.4104       161.6768 292.7129       150.3674 113.3920 24.98670 92.23838 26.43576 21.15366       36.37560 
1 1 1 14  1  42 o 48.49705 20.80143 12.48502       105.9496 109.4718       157.3891 -67.88612      143.2743 66.84853 26.66288 48.46600 22.22779 18.38253       34.71288 
1 1 1 14  1  43 o 162.4668 12.54880 806.4757       118.6425 757.1644       171.5100 851.7251       164.2943 153.1516 19.53927 164.0862 17.33431 -10.93469      26.12013 
1 1 1 14  1  44 o 43.10207 19.92838 -69.54851      118.4970 -98.18370      172.0181 -43.68895      163.4687 50.87838 23.69035 53.09694 24.11695 -2.218563      33.80621 
1 1 1 14  1  45 o 182.9060 12.59738 1027.121       134.3068 976.6247       198.3859 1069.848       182.4859 172.6921 19.95454 183.2460 17.18061 -10.55397      26.33168 
1 1 1 14  1  46 o 60.30270 24.49433 85.33406       135.4670 123.8576       196.6487 50.54183       186.8827 69.91965 29.06997 62.73259 27.26760 7.187057       39.85706 
1 1 1 14  1  47 o 133.3542 22.87907 611.4838       172.4952 609.5477       243.7922 613.4248       244.0981 123.0836 33.07066 123.5219 33.04854 -0.4383011     46.75334 
1 1 1 14  2  0  o 578.9941 15.21142 9858.897       516.0812 9584.910       704.9688 10175.29       757.5642 570.1168 21.12063 587.2926 22.03359 -17.17578      30.52147 
1 1 1 14  2  1  o 561.4721 15.01468 9270.909       493.9747 9423.807       694.5527 9114.407       702.6898 565.3192 20.98531 555.8570 21.59619 9.462219       30.11277 
1 1 1 14  2  2  o 723.6398 17.81244 15402.32       755.9557 14787.91       1026.899 16129.19       1116.933 707.6296 24.78233 738.8429 25.81619 -31.21326      35.78603 
1 1 1 14  2  3  o 526.4714 14.60174 8150.664       450.4122 8294.004       628.3752 7999.196       645.9464 530.4018 20.23769 520.7400 21.19500 9.661804       29.30516 
1 1 1 14  2  4  o 737.9186 25.67908 16089.02       1109.624 16089.02       1109.624 0.000000       0.000000 737.9186 25.67908 ?        ?        0.000000       25.67908 
1 1 1 14  2  5  f 594.4523 22.08855 10426.25       768.7388 10426.25       768.7388 0.000000       0.000000 594.4523 22.08855 ?        ?        0.000000       22.08855 
1 1 1 14  2  6  o 290.9123 21.77985 2507.213       368.8956 2507.213       368.8956 0.000000       0.000000 290.9123 21.77985 ?        ?        0.000000       21.77985 
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 o 887.9813 23.28101 23278.92       1211.383 23278.92       1211.383 0.000000       0.000000 887.9813 23.28101 ?        ?        0.000000       23.28101 
1 1 1 14  2  11 o 510.7768 12.72106 7665.004       381.0701 7211.308       539.2887 8117.442       538.5410 494.5441 18.62699 524.8978 17.51872 -30.35370      25.57089 
1 1 1 14  2  12 o 576.8870 12.29153 9777.316       415.8602 9633.166       588.5506 9921.042       587.6806 571.7910 17.57161 580.3239 17.28641 -8.532837      24.64917 
1 1 1 14  2  13 o 556.2956 11.81821 9091.611       385.5742 8933.372       538.8533 9257.638       551.9512 550.6718 16.70435 560.5698 16.80781 -9.898010      23.69679 
1 1 1 14  2  14 o 420.8081 11.22492 5206.021       276.7769 5555.537       406.6772 4904.437       377.7634 434.1498 15.99938 407.9040 15.82106 26.24579       22.50080 
1 1 1 14  2  15 o 874.9999 15.52466 22541.20       796.6742 22330.33       1116.652 22759.79       1136.957 868.9001 21.93031 877.1561 22.11889 -8.255981      31.14777 
1 1 1 14  2  16 o 308.3992 11.23455 2799.213       202.8584 2777.410       294.3012 2818.949       280.0028 306.5569 16.42933 308.9785 15.50148 -2.421631      22.58802 
1 1 1 14  2  17 o 417.9001 10.38316 5132.580       254.4793 5104.547       360.2587 5160.497       359.5187 416.0211 14.78904 418.3158 14.67710 -2.294617      20.83585 
1 1 1 14  2  18 o 122.6919 21.00352 458.1202       145.7014 545.5048       219.5920 389.3927       194.7443 132.6115 29.04093 112.0750 29.30319 20.53650       41.25594 
1 1 1 14  2  19 o 579.4650 11.16182 9878.615       379.3260 9903.375       544.0857 9855.197       529.1231 578.9672 16.03916 577.6641 15.63257 1.303101       22.39713 
1 1 1 14  2  20 o 119.1820 19.85258 432.2823       133.8855 428.0107       195.7405 436.0379       183.5338 117.1205 28.72029 118.3914 27.02932 -1.270844      39.43905 
1 1 1 14  2  21 o 261.2682 9.075081 2009.492       138.8442 2122.371       223.7411 1938.802       177.0607 267.7575 14.29985 256.2768 11.81223 11.48074       18.54763 
1 1 1 14  2  22 o 76.05264 23.30336 173.4408       113.7440 218.9124       166.8770 133.9850       155.4470 86.66445 28.43449 74.10226 27.24060 12.56219       39.37729 
1 1 1 14  2  23 o 71.58627 21.42827 154.7726       96.96167 126.8393       138.7427 181.4397       135.5616 71.03188 25.79408 78.79332 25.61379 -7.761444      36.35108 
1 1 1 14  2  24 o 266.6902 8.402706 2093.904       131.2607 2106.396       204.2719 2085.119       171.3093 266.7346 13.09812 265.7523 11.01529 0.9822998      17.11424 
1 1 1 14  2  25 o 415.8794 7.118136 5083.106       173.6138 5033.116       244.6119 5133.851       246.4524 413.3623 10.09011 417.4829 10.06570 -4.120605      14.25232 
1 1 1 14  2  26 o 264.4581 8.423515 2059.457       130.4808 2195.769       203.2082 1963.828       170.2031 272.3557 12.75742 257.8071 11.28432 14.54865       17.03196 
1 1 1 14  2  27 o 274.4956 8.195083 2218.034       131.7810 2217.868       189.4548 2218.189       183.4243 273.9166 11.82117 274.0059 11.43939 -0.8926392E-01 16.44991 
1 1 1 14  2  28 o 192.2661 11.49683 1094.104       129.0457 941.0203       182.3767 1247.596       182.6198 177.0562 17.80482 204.6576 15.32623 -27.60138      23.49266 
1 1 1 14  2  29 o 103.1534 25.82178 333.6946       155.8369 272.3366       171.8150 618.3197       370.0515 94.17469 28.59854 138.5426 41.94938 -44.36790      50.77034 
1 1 1 14  2  30 o 128.7487 14.63262 497.2991       108.5303 381.5141       151.9894 617.7562       155.0257 110.4611 24.13747 142.6987 18.99530 -32.23756      30.71545 
1 1 1 14  2  31 o 199.0519 10.35808 1171.744       120.5034 1255.398       179.0614 1102.495       162.9157 205.1329 14.98730 192.2637 14.55640 12.86919       20.89277 
1 1 1 14  2  32 o 274.9551 8.557123 2229.127       137.8196 2322.672       207.0622 2154.723       184.6674 279.7694 12.65247 269.6767 11.70392 10.09268       17.23563 
1 1 1 14  2  33 o 103.4488 18.28882 329.8657       106.9010 296.0560       158.3665 358.1668       144.8922 96.60098 26.94161 106.5088 23.79628 -9.907829      35.94598 
1 1 1 14  2  34 o 297.4278 11.24784 2622.084       195.8474 2717.702       368.7462 2584.513       231.1434 298.8207 21.17822 294.6239 13.41231 4.196808       25.06804 
1 1 1 14  2  35 o 150.4630 14.84153 682.2135       129.2626 803.6473       189.2281 575.9738       176.9943 161.6190 20.41866 135.5224 23.09623 26.09663       30.82787 
1 1 1 14  2  36 o 28.75833 14.52635 -384.1453      117.4560 -427.7342      179.3706 -351.4241      155.4099 39.60518 19.70119 37.63164 18.65400 1.973545       27.13132 
1 1 1 14  2  37 o 145.2939 14.18520 639.4200       119.3364 745.2881       175.4980 548.3673       162.7557 154.7796 19.78517 131.5945 21.85492 23.18509       29.48034 
1 1 1 14  2  38 o 225.7423 10.06644 1518.697       132.9369 1462.956       185.3792 1577.707       190.7377 219.6850 14.46887 228.2450 14.32120 -8.559982      20.35792 
1 1 1 14  2  39 o 168.8007 12.12905 859.2491       119.2742 791.0797       171.7553 922.7446       165.7627 158.9122 18.79220 172.9638 16.54242 -14.05161      25.03594 
1 1 1 14  2  40 o 49.97124 21.43364 10.24101       112.4866 -189.1847      170.6733 163.3949       149.5681 46.69645 22.29281 73.78688 26.78336 -27.09043      34.84706 
1 1 1 14  2  41 o 112.3200 17.79311 400.5549       113.3070 403.8192       169.3297 397.9082       152.4732 108.0331 26.84394 108.4935 24.53939 -0.4603271     36.37003 
1 1 1 14  2  42 o 122.6861 16.25193 473.0305       114.0632 586.1027       167.2530 374.7145       155.9582 133.2464 22.18217 104.0298 25.71153 29.21657       33.95779 
1 1 1 14  2  43 o 62.76190 23.33816 113.5595       114.6770 214.8224       170.5511 29.99916       154.9279 79.90556 28.65339 58.11544 25.04332 21.79012       38.05502 
1 1 1 14  2  44 o 82.43811 23.84492 235.3503       121.8098 272.9003       179.5453 203.3281       165.8041 86.81590 29.51430 77.65166 28.19768 9.164238       40.81915 
1 1 1 14  2  45 o 44.61872 20.64444 -71.23117      127.5025 -75.89500      182.3069 -66.76568      178.3884 53.53366 24.73977 53.52684 24.64165 0.6820679E-02  34.91800 
1 1 1 14  2  46 o 62.95948 25.10879 104.5105       139.5604 128.1774       197.2764 80.79960       197.4601 70.33434 29.16845 66.25174 28.40689 4.082596       40.71548 
1 1 1 14  2  47 o 127.8730 23.30215 566.1571       168.3168 683.0274       214.0966 377.0309       272.3539 136.6068 27.67269 94.98037 35.83183 41.62638       45.27359 
1 1 1 14  3  0  o 403.1934 10.80484 4775.804       255.2647 4542.708       411.0469 4922.130       325.6751 392.5828 17.90003 409.1115 13.59239 -16.52875      22.47586 
1 1 1 14  3  1  o 369.1752 10.55175 4004.098       228.2243 4079.791       374.4143 3959.348       287.8903 372.0753 17.20475 366.8919 13.40197 5.183380       21.80863 
1 1 1 14  3  2  o 261.7762 14.38291 2019.516       219.9659 2335.217       293.8946 1617.421       331.6789 281.1977 17.91404 232.8959 24.65723 48.30179       30.47772 
1 1 1 14  3  3  o 317.6220 17.63400 2976.290       327.1930 2976.290       327.1930 0.000000       0.000000 317.6220 17.63400 ?        ?        0.000000       17.63400 
1 1 1 14  3  4  o 764.8112 26.42627 17290.32       1183.553 17290.32       1183.553 0.000000       0.000000 764.8112 26.42627 ?        ?        0.000000       26.42627 
1 1 1 14  3  5  f 705.7407 25.07565 14714.85       1036.232 14714.85       1036.232 0.000000       0.000000 705.7407 25.07565 ?        ?        0.000000       25.07565 
1 1 1 14  3  6  o 214.3186 27.78504 1379.547       341.0261 1379.547       341.0261 0.000000       0.000000 214.3186 27.78504 ?        ?        0.000000       27.78504 
1 1 1 14  3  7  o 634.4544 24.00131 11890.66       891.4604 11890.66       891.4604 0.000000       0.000000 634.4544 24.00131 ?        ?        0.000000       24.00131 
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 354.7297 13.04549 3702.816       270.9369 3357.236       391.4163 4020.710       375.4099 336.9407 19.89631 369.1795 17.38760 -32.23880      26.42332 
1 1 1 14  3  13 o 337.7734 11.85253 3356.092       234.4301 3148.399       336.6971 3551.517       326.6018 326.5049 17.64885 347.0327 16.09094 -20.52780      23.88305 
1 1 1 14  3  14 o 217.0132 15.95417 1393.725       201.6344 1259.511       284.7687 1528.668       285.5412 204.9651 24.15304 226.4883 21.76432 -21.52322      32.51239 
1 1 1 14  3  15 o 556.5546 11.58590 9103.947       378.1709 8975.376       530.2482 9237.044       539.5007 551.7372 16.40511 559.7202 16.45289 -7.983032      23.23414 
1 1 1 14  3  16 o 685.1078 12.77091 13806.34       513.1345 14289.66       757.7567 13397.00       697.3629 695.5546 18.59249 673.7006 17.66511 21.85400       25.64638 
1 1 1 14  3  17 o 514.0256 10.77542 7767.015       324.8401 7784.425       464.8732 7750.402       454.1026 513.7101 15.44755 512.6487 15.12023 1.061462       21.61592 
1 1 1 14  3  18 o 355.4022 9.856596 3715.301       205.2476 3877.662       308.9592 3587.046       274.5975 362.4417 14.56457 348.7452 13.45095 13.69656       19.82561 
1 1 1 14  3  19 o 223.5910 11.03760 1474.316       144.2896 1597.853       217.2019 1376.734       193.0409 232.0869 16.05639 215.4585 15.37800 16.62843       22.23265 
1 1 1 14  3  20 o 173.5494 15.76911 896.9757       158.7516 0.000000       0.000000 896.9757       158.7516 ?        ?        173.5494 15.76911 0.000000       15.76911 
1 1 1 14  3  21 o 117.6948 16.85712 418.0977       113.0384 584.0648       179.9203 309.8648       145.2944 138.1665 23.01285 99.84431 24.89867 38.32217       33.90479 
1 1 1 14  3  22 o 169.0526 12.82497 847.7891       126.2050 819.8328       184.1412 872.5538       173.3121 164.9971 19.39960 170.6764 17.56478 -5.679321      26.16994 
1 1 1 14  3  23 o 165.5307 11.45847 811.4638       110.5521 719.6023       165.9571 884.7477       148.2291 154.5098 18.69390 172.3344 14.80944 -17.82458      23.84914 
1 1 1 14  3  24 o 325.0455 7.296031 3105.228       139.0853 3072.761       200.7611 3135.192       192.8689 322.7612 10.62037 326.1184 10.09625 -3.357178      14.65355 
1 1 1 14  3  25 o 43.94744 19.55123 -36.43345      101.3609 1.933467       147.4323 -70.82317      139.5817 57.68233 24.63475 49.71084 22.46122 7.971489       33.33733 
1 1 1 14  3  26 o 53.58681 21.23118 47.82920       99.15514 132.4622       133.0218 -57.99342      148.7449 71.02150 25.32373 52.64486 23.53473 18.37664       34.57130 
1 1 1 14  3  27 o 681.6044 10.43978 13689.23       417.3249 13053.20       655.9147 14121.83       540.9378 662.8033 16.88753 691.2377 13.34349 -28.43445      21.52295 
1 1 1 14  3  28 o 130.5483 16.52313 513.4867       123.6777 572.8246       175.6380 455.1269       174.1845 136.5208 22.73583 120.7504 25.40251 15.77039       34.09113 
1 1 1 14  3  29 o 179.5938 12.02573 956.2160       125.9341 859.0519       179.7999 1049.786       176.4428 168.8972 18.45147 187.4142 16.21207 -18.51703      24.56192 
1 1 1 14  3  30 o 350.4695 7.817747 3612.785       160.6876 3621.436       231.6520 3604.763       223.0833 350.1325 11.29593 349.4130 10.89956 0.7194519      15.69708 
1 1 1 14  3  31 o 248.6851 8.684980 1823.225       126.4742 1971.368       188.4179 1701.740       170.6259 257.8828 12.49521 239.6218 12.18134 18.26103       17.45037 
1 1 1 14  3  32 o 139.6168 14.26721 584.7039       115.1822 803.6028       172.8587 409.8957       154.4721 162.8419 18.42303 114.2399 23.82821 48.60197       30.11962 
1 1 1 14  3  33 o 175.4138 11.68994 914.7384       119.5752 819.3275       175.6736 997.1031       163.2218 164.2411 18.56280 182.2898 15.41168 -18.04863      24.12670 
1 1 1 14  3  34 o 52.90976 21.76467 31.47493       108.6391 -46.56247      164.5527 91.77112       144.6433 56.12509 24.94329 66.42548 25.84368 -10.30039      35.91746 
1 1 1 14  3  35 f 206.7214 10.32259 1267.447       124.7523 1511.105       189.8362 1082.239       165.5081 224.5812 14.49036 189.7604 14.99354 34.82077       20.85130 
1 1 1 14  3  36 o 36.78524 17.73676 -168.7353      114.2479 86.99213       173.5883 -364.1590      151.7471 69.27399 27.87437 36.45770 18.13307 32.81629       33.25340 
1 1 1 14  3  37 o 97.66291 20.54119 303.6783       113.9178 278.1926       165.5470 326.6005       157.0008 92.22243 28.08552 99.60004 26.43965 -7.377602      38.57269 
1 1 1 14  3  38 o 201.7748 10.42692 1215.558       122.9696 1274.472       178.7755 1162.653       169.4125 204.7027 14.99538 195.5232 14.88584 9.179535       21.12936 
1 1 1 14  3  39 o 103.8969 19.03135 343.6840       111.6917 241.5436       162.1138 435.9787       154.1025 85.56334 28.02306 115.1774 23.60727 -29.61404      36.64144 
1 1 1 14  3  40 o 128.0645 16.98199 512.5851       124.4055 674.5701       186.9106 383.7490       166.6922 143.8787 22.91883 105.9618 26.80758 37.91696       35.26924 
1 1 1 14  3  41 o 99.35027 20.31435 322.2000       114.3672 318.0468       173.3836 325.3989       152.1651 95.15952 28.69301 97.16913 26.13548 -2.009613      38.81175 
1 1 1 14  3  42 o 82.45031 22.38225 228.5990       110.9832 176.1829       166.0198 270.9481       149.2277 75.34734 28.06860 88.25793 26.62091 -12.91060      38.68487 
1 1 1 14  3  43 o 113.2373 17.42367 409.8394       112.0086 379.0326       171.2470 432.8734       148.0756 102.8392 27.75418 113.1344 23.09928 -10.29527      36.10916 
1 1 1 14  3  44 o 126.9885 15.69536 508.4962       114.4069 692.1271       182.8702 390.4012       146.6513 143.6410 22.44137 106.1607 24.10645 37.48032       32.93533 
1 1 1 14  3  45 o 157.2562 14.02279 768.7502       127.9727 863.5274       197.4579 700.1084       168.0415 160.9930 21.44598 145.7567 20.20023 15.23631       29.46149 
1 1 1 14  3  46 o 57.11537 23.49294 67.32027       126.5653 327.5452       182.2063 -175.3109      175.9390 92.74699 29.65506 46.83919 22.43470 45.90781       37.18519 
1 1 1 14  3  47 o 67.15706 26.47012 132.1377       153.3998 234.9249       203.6410 -2.700034      233.2392 80.86258 30.87211 63.66755 28.87439 17.19503       42.27077 
1 1 1 14  4  0  o 446.9000 10.97073 5863.396       287.5387 6362.611       498.6246 5614.677       351.9525 464.6920 18.33205 436.9580 13.75102 27.73404       22.91625 
1 1 1 14  4  1  o 467.3539 20.06534 6441.693       548.6936 0.000000       0.000000 6441.693       548.6936 ?        ?        467.3539 20.06534 0.000000       20.06534 
1 1 1 14  4  2  o 419.5096 11.21844 5170.677       275.7622 5277.835       459.1452 5110.213       344.8967 423.1328 18.54724 416.8100 14.12956 6.322784       23.31618 
1 1 1 14  4  3  o 1281.246 42.16715 49030.25       3164.209 49030.25       3164.209 0.000000       0.000000 1281.246 42.16715 ?        ?        0.000000       42.16715 
1 1 1 14  4  4  o 539.8799 20.70999 8595.927       654.5179 8595.927       654.5179 0.000000       0.000000 539.8799 20.70999 ?        ?        0.000000       20.70999 
1 1 1 14  4  5  o 444.7032 20.18602 5834.760       525.0947 5834.760       525.0947 0.000000       0.000000 444.7032 20.18602 ?        ?        0.000000       20.18602 
1 1 1 14  4  6  o 445.8330 20.73112 5866.777       540.5737 5866.777       540.5737 0.000000       0.000000 445.8330 20.73112 ?        ?        0.000000       20.73112 
1 1 1 14  4  7  o 303.5984 24.29967 2736.582       429.0543 2736.582       429.0543 0.000000       0.000000 303.5984 24.29967 ?        ?        0.000000       24.29967 
1 1 1 14  4  8  o 257.4487 32.09391 1994.337       474.0843 1994.337       474.0843 0.000000       0.000000 257.4487 32.09391 ?        ?        0.000000       32.09391 
1 1 1 14  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  4  10 o 768.9794 21.21531 17443.84       955.8713 17443.84       955.8713 0.000000       0.000000 768.9794 21.21531 ?        ?        0.000000       21.21531 
1 1 1 14  4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  4  13 o 81.50855 30.79921 143.4143       201.4072 201.7426       294.3241 92.04683       276.2041 97.53486 37.14434 86.11908 34.97741 11.41578       51.02079 
1 1 1 14  4  14 o 231.4977 15.35992 1584.172       207.3591 1908.273       307.1330 1312.697       281.0941 253.3978 20.85111 209.4351 23.27783 43.96272       31.25102 
1 1 1 14  4  15 o 268.5668 12.67778 2125.716       199.1216 2235.022       290.6121 2028.991       273.3784 274.6975 18.14038 261.7064 17.91959 12.99118       25.49873 
1 1 1 14  4  16 o 404.9547 10.84454 4823.220       257.3221 4713.576       371.2910 4924.556       356.9495 399.6358 15.87319 408.6468 14.91893 -9.010986      21.78377 
1 1 1 14  4  17 o 287.2144 11.02295 2428.903       185.3309 2441.483       270.9827 2417.847       254.0325 287.2895 16.14816 286.0335 15.19790 1.255951       22.17519 
1 1 1 14  4  18 o 98.10656 24.00765 297.4596       136.9885 241.0622       211.8381 337.9944       179.5927 93.33070 32.05063 104.6207 28.50187 -11.29003      42.89055 
1 1 1 14  4  19 o 212.1479 15.95346 1336.333       197.0383 0.000000       0.000000 1336.333       197.0383 ?        ?        212.1479 15.95346 0.000000       15.95346 
1 1 1 14  4  20 o 113.9047 17.64155 392.8649       114.0425 620.3049       194.2719 273.2810       140.8682 142.3088 24.13874 93.99424 25.08694 48.31460       34.81427 
1 1 1 14  4  21 o 79.18471 27.96260 166.8563       161.8445 0.000000       0.000000 166.8563       161.8445 ?        ?        79.18471 27.96260 0.000000       27.96260 
1 1 1 14  4  22 o 129.7528 15.13932 504.4197       113.0434 543.9164       188.3422 482.1794       141.3311 132.6044 25.13777 125.8733 19.79793 6.731064       31.99790 
1 1 1 14  4  23 o 230.6563 9.009968 1567.562       121.6474 1546.057       188.4105 1582.936       159.3009 228.2705 14.14305 231.3980 11.77711 -3.127502      18.40452 
1 1 1 14  4  24 o 348.3230 8.022651 3567.667       163.8893 3657.055       270.1939 3515.637       206.1406 351.6083 13.12590 345.3338 10.18941 6.274506       16.61666 
1 1 1 14  4  25 f 258.0614 8.136865 1960.547       122.9950 1989.765       176.5656 1933.004       171.4305 259.4501 11.63343 255.7459 11.45865 3.704224       16.32903 
1 1 1 14  4  26 o 53.09325 23.46247 -39.97001      143.5759 130.4367       162.9428 -631.7115      303.6392 74.31502 27.78273 54.13492 26.69418 20.18010       38.52868 
1 1 1 14  4  27 o 114.3978 18.22708 398.5831       118.1885 412.3238       170.6389 385.9132       163.8549 114.7145 25.97009 110.9857 25.68277 3.728767       36.52465 
1 1 1 14  4  28 o 228.2836 10.88360 1539.559       145.2932 1370.385       217.3125 1676.314       195.3836 214.0644 17.46126 237.6527 14.08141 -23.58824      22.43171 
1 1 1 14  4  29 o 237.5861 9.482077 1664.716       131.8566 1656.494       189.0778 1672.501       183.9737 236.2683 13.70416 237.4996 13.26082 -1.231293      19.06970 
1 1 1 14  4  30 o 58.09993 22.31716 69.86487       106.8502 224.0441       164.3763 -42.95334      140.6099 86.73355 28.20566 52.14128 23.12141 34.59227       36.47134 
1 1 1 14  4  31 o 329.3529 7.994515 3192.228       154.4202 3463.941       240.4699 3001.553       201.4430 342.1146 12.00362 318.7197 10.79244 23.39487       16.14198 
1 1 1 14  4  32 o 142.8505 13.25980 610.1256       109.8205 868.3524       164.1570 400.9257       147.7541 169.8006 16.70012 113.1273 23.05333 56.67335       28.46665 
1 1 1 14  4  33 o 465.1468 7.798663 6371.554       212.7456 6683.383       317.2053 6116.605       286.8197 475.2567 11.38051 454.8783 10.75136 20.37845       15.65591 
1 1 1 14  4  34 o 127.8598 15.01669 493.8648       110.4614 360.3897       160.7722 613.2130       152.0263 106.1632 26.02604 141.6065 18.76725 -35.44328      32.08683 
1 1 1 14  4  35 o 190.6373 10.98916 1080.204       122.3428 1076.145       191.9849 1082.980       158.7517 188.3323 17.58496 189.9905 14.35358 -1.658173      22.69925 
1 1 1 14  4  36 o 45.13540 20.26090 -43.94303      111.4783 -146.4649      170.3607 32.83023       147.4233 49.98037 23.37232 59.71922 25.02456 -9.738850      34.24170 
1 1 1 14  4  37 o 284.0342 8.319165 2387.904       138.4308 2479.421       202.3912 2307.454       189.7600 287.9915 12.00924 277.9578 11.66654 10.03372       16.74306 
1 1 1 14  4  38 o 43.41773 19.68782 -50.50482      108.3868 -250.9629      154.1169 145.6681       152.4607 40.95339 19.94544 72.43088 26.91419 -31.47749      33.49917 
1 1 1 14  4  39 o 210.8080 10.26869 1328.533       126.5740 1308.895       187.1515 1345.088       171.8332 206.7178 15.55109 210.4118 14.00443 -3.694016      20.92750 
1 1 1 14  4  40 o 140.5402 14.65202 606.9865       118.9956 593.9742       179.6752 617.1532       158.8187 134.3446 23.66869 139.0714 20.05059 -4.726837      31.01988 
1 1 1 14  4  41 f 61.98370 22.99744 107.2123       111.2370 -75.00894      171.8204 238.6950       145.9519 53.13469 24.35880 83.78808 26.51263 -30.65339      36.00376 
1 1 1 14  4  42 o 152.7024 13.45176 715.4999       119.2388 688.7488       173.4224 739.4850       164.2125 145.4183 20.93721 152.1709 18.79962 -6.752609      28.13881 
1 1 1 14  4  43 o 42.31590 19.48514 -62.79389      111.6329 95.56165       164.4263 -198.1991      152.0451 65.57291 26.85292 42.15239 20.35848 23.42052       33.69788 
1 1 1 14  4  44 o 61.72962 23.46451 107.4077       117.3157 110.8993       181.9567 104.9237       153.4748 68.32637 28.14307 65.00784 26.19151 3.318535       38.44512 
1 1 1 14  4  45 o 70.32446 24.54143 164.2449       124.4152 -65.38657      189.9284 336.8463       164.6631 55.23183 25.42643 95.72127 27.73479 -40.48944      37.62608 
1 1 1 14  4  46 o 44.90364 20.90772 -81.70640      133.9654 66.87402       192.1785 -222.1551      186.8456 64.51189 27.84642 46.40146 22.44898 18.11043       35.76842 
1 1 1 14  4  47 o 44.50461 20.86811 -95.90630      137.3626 -226.8794      184.9654 65.15411       205.1133 45.80357 22.20163 65.42649 28.50096 -19.62292      36.12779 
1 1 1 14  5  0  f 588.2480 15.69384 10178.96       540.9435 0.000000       0.000000 10178.96       540.9435 ?        ?        588.2480 15.69384 0.000000       15.69384 
1 1 1 14  5  1  o 510.0799 11.88271 7640.173       355.4710 7835.982       596.9905 7532.615       442.4577 515.5638 19.78066 506.0546 14.92446 9.509216       24.77931 
1 1 1 14  5  2  o 499.4013 14.18236 7333.895       414.9625 7271.025       566.8925 7406.467       609.0655 496.6363 19.50099 501.0709 20.77098 -4.434631      28.49074 
1 1 1 14  5  3  o 400.2570 18.38282 4723.557       430.3686 4723.557       430.3686 0.000000       0.000000 400.2570 18.38282 ?        ?        0.000000       18.38282 
1 1 1 14  5  4  o 136.5916 35.14090 574.7690       283.1139 574.7690       283.1139 0.000000       0.000000 136.5916 35.14090 ?        ?        0.000000       35.14090 
1 1 1 14  5  5  o 679.8494 24.41926 13653.48       972.0522 13653.48       972.0522 0.000000       0.000000 679.8494 24.41926 ?        ?        0.000000       24.41926 
1 1 1 14  5  6  o 273.2716 24.29530 2220.346       385.3197 2220.346       385.3197 0.000000       0.000000 273.2716 24.29530 ?        ?        0.000000       24.29530 
1 1 1 14  5  7  o 722.6028 26.10595 15442.36       1104.525 15442.36       1104.525 0.000000       0.000000 722.6028 26.10595 ?        ?        0.000000       26.10595 
1 1 1 14  5  8  o 666.1686 24.89287 13119.82       970.8342 13119.82       970.8342 0.000000       0.000000 666.1686 24.89287 ?        ?        0.000000       24.89287 
1 1 1 14  5  9  o 556.3781 19.29377 9126.744       628.6079 9126.744       628.6079 0.000000       0.000000 556.3781 19.29377 ?        ?        0.000000       19.29377 
1 1 1 14  5  10 o 317.2809 23.66172 2987.793       437.1216 2987.793       437.1216 0.000000       0.000000 317.2809 23.66172 ?        ?        0.000000       23.66172 
1 1 1 14  5  11 o 608.5830 18.65832 10918.25       665.1652 10918.25       665.1652 0.000000       0.000000 608.5830 18.65832 ?        ?        0.000000       18.65832 
1 1 1 14  5  12 o 725.8901 13.73326 15490.04       584.6487 15832.07       855.9202 15190.87       800.4959 732.5767 19.94039 717.7697 19.03299 14.80707       27.56581 
1 1 1 14  5  13 o 280.6726 13.36436 2321.301       219.3558 2213.061       307.9725 2432.754       312.5092 273.2970 19.33930 286.6983 18.68790 -13.40137      26.89323 
1 1 1 14  5  14 o 566.5988 11.78560 9435.349       391.6319 9728.892       573.0404 9178.078       536.4689 574.3882 17.02978 557.9891 16.41120 16.39917       23.65039 
1 1 1 14  5  15 o 480.1118 11.07159 6774.433       311.7473 6510.352       432.8520 7059.049       449.3662 469.8694 15.72984 489.2989 15.67966 -19.42947      22.20990 
1 1 1 14  5  16 o 712.6548 13.13089 14944.79       548.8123 14956.71       782.7970 14933.28       769.6458 711.4067 18.77849 710.9372 18.47469 0.4694824      26.34285 
1 1 1 14  5  17 o 457.1104 10.36053 6142.008       277.7496 6020.183       391.4036 6265.585       394.2059 451.7512 14.79316 460.9112 14.60171 -9.159973      20.78575 
1 1 1 14  5  18 o 402.3499 13.19161 4773.082       310.8599 0.000000       0.000000 4773.082       310.8599 ?        ?        402.3499 13.19161 0.000000       13.19161 
1 1 1 14  5  19 o 522.0435 8.925615 8009.694       273.2721 8321.859       480.4409 7860.400       332.2539 530.7032 15.45256 516.8588 10.96094 13.84442       18.94528 
1 1 1 14  5  20 o 326.1403 8.326960 3127.974       159.1425 3582.063       286.0144 2924.347       191.5290 348.1451 14.03681 315.0880 10.37875 33.05707       17.45711 
1 1 1 14  5  21 o 134.7079 14.60115 542.1667       113.5112 558.3325       195.1235 533.8973       139.5558 134.3469 25.70073 132.9449 18.39089 1.401947       31.60304 
1 1 1 14  5  22 o 233.2211 9.091595 1602.339       124.1154 1478.485       205.2328 1673.755       155.8432 222.9570 15.79781 238.0922 11.19204 -15.13527      19.36060 
1 1 1 14  5  23 o 176.6441 11.23489 923.4024       115.7876 1024.857       184.8681 857.9127       148.5292 185.0503 17.23225 169.6017 15.08984 15.44861       22.90532 
1 1 1 14  5  24 o 275.2835 8.515695 2231.284       137.3183 2212.861       225.6167 2242.125       173.0648 273.1698 14.13080 275.6236 10.72684 -2.453735      17.74104 
1 1 1 14  5  25 o 291.0526 7.917405 2492.871       135.0210 2459.370       196.1545 2523.038       186.1361 288.5014 11.61686 292.3540 10.87499 -3.852570      15.91279 
1 1 1 14  5  26 o 285.2686 8.292790 2395.670       138.5939 2338.883       201.5041 2446.651       190.9261 281.2149 12.24722 287.8064 11.33350 -6.591492      16.68660 
1 1 1 14  5  27 o 210.8492 10.74759 1313.656       132.4643 1383.494       202.9035 1261.781       174.8720 215.3818 16.18144 205.9713 14.57052 9.410446       21.77474 
1 1 1 14  5  28 f 217.4256 11.24630 1397.689       142.9197 1290.845       221.2482 1474.198       187.2239 207.4877 18.37146 222.7399 14.40952 -15.25221      23.34833 
1 1 1 14  5  29 f 35.19744 17.28982 -249.4588      123.4328 -471.4891      195.4062 -102.0478      159.2198 41.58282 20.66457 51.44613 23.53359 -9.863312      31.31859 
1 1 1 14  5  30 o 207.6266 10.29895 1274.100       125.0169 1433.906       196.4785 1165.387       162.0541 219.2795 15.37544 197.8648 14.05652 21.41476       20.83242 
1 1 1 14  5  31 o 384.9163 7.930143 4360.254       179.0184 4605.951       273.2165 4175.417       236.9745 394.5775 11.81990 375.9531 10.75881 18.62448       15.98319 
1 1 1 14  5  32 o 343.0515 7.895463 3464.943       158.8501 3599.800       238.0148 3356.632       213.3066 348.6451 11.65684 336.8839 10.81026 11.76129       15.89792 
1 1 1 14  5  33 o 56.04122 21.90584 60.57674       104.3139 82.53828       150.6159 40.33126       144.6116 66.26315 26.19425 60.59142 25.03627 5.671726       36.23470 
1 1 1 14  5  34 f 288.5427 8.299862 2456.315       140.3072 2353.368       208.5338 2541.467       189.6556 281.2884 12.67334 292.8203 11.06358 -11.53192      16.82309 
1 1 1 14  5  35 o 144.4211 17.58139 636.6075       145.8489 1515.784       431.4814 523.1978       154.9706 213.7769 35.67140 129.5886 21.11718 84.18826       41.45339 
1 1 1 14  5  36 o 72.70948 23.32749 162.0477       112.6751 201.8103       164.4029 126.8264       154.7300 81.95507 28.23166 71.34014 26.98673 10.61493       39.05523 
1 1 1 14  5  37 o 236.1442 9.409411 1656.051       130.0529 1628.961       199.7526 1675.983       171.3436 232.0903 14.75158 236.4762 12.39794 -4.385941      19.26961 
1 1 1 14  5  38 o 142.6309 18.14741 634.0404       148.3699 657.7162       478.2675 631.5192       156.0698 128.4299 47.67929 141.8296 19.26018 -13.39969      51.42246 
1 1 1 14  5  39 o 45.09716 20.07279 -26.96305      106.9781 29.88500       152.0779 -82.64787      150.5139 58.94561 25.09218 49.41344 22.70660 9.532166       33.84091 
1 1 1 14  5  40 o 44.61492 19.87605 -26.23342      105.1344 -18.30094      150.3711 -33.81933      147.0495 54.07516 23.94825 52.22241 23.36911 1.852753       33.46094 
1 1 1 14  5  41 o 34.51889 16.77493 -169.0903      107.3998 -395.0475      164.8153 -2.330257      141.5893 37.16573 18.55080 53.59005 23.50434 -16.42433      29.94305 
1 1 1 14  5  42 o 136.1687 14.26834 573.3790       112.2566 547.1003       168.7582 594.2353       150.3424 127.7355 23.38859 135.7957 19.43069 -8.060120      30.40687 
1 1 1 14  5  43 o 75.19010 22.67282 190.8545       108.2579 407.2299       166.3355 31.84329       142.5919 107.2173 26.58479 56.36316 24.15277 50.85419       35.91806 
1 1 1 14  5  44 o 110.6905 18.37866 398.2293       115.1270 388.8355       181.0115 404.6107       149.1915 102.5296 28.87880 107.9607 24.16644 -5.431152      37.65637 
1 1 1 14  5  45 o 49.17539 21.41467 7.951748       115.7168 -109.5619      181.7772 88.02026       150.0466 51.40928 24.07363 62.43915 25.61996 -11.02987      35.15568 
1 1 1 14  5  46 o 49.72032 22.01668 -4.556331      127.0510 12.20260       201.6059 -15.59670      163.6334 61.35506 27.41601 54.51540 24.50310 6.839657       36.77009 
1 1 1 14  5  47 o 154.3077 15.80358 756.3931       141.0008 796.1026       203.6337 719.8188       195.4296 151.5932 23.67830 143.7202 24.03378 7.872971       33.73847 
1 1 1 14  6  0  o 219.6463 28.71893 1450.052       361.0971 0.000000       0.000000 1450.052       361.0971 ?        ?        219.6463 28.71893 0.000000       28.71893 
1 1 1 14  6  1  o 191.2374 19.23990 1087.177       212.8580 1303.423       261.1440 659.0948       367.4254 209.2439 21.58987 146.6041 41.09179 62.63983       46.41829 
1 1 1 14  6  2  o 568.1122 15.18255 9493.146       505.4055 9617.075       711.1573 9366.682       718.4004 570.9796 21.27427 563.4060 21.78279 7.573547       30.44807 
1 1 1 14  6  3  o 173.6916 21.87976 902.8229       217.9457 1077.188       282.1541 644.8886       343.1709 189.2578 26.11575 144.7888 39.37988 44.46902       47.25259 
1 1 1 14  6  4  o 160.9281 29.46854 789.7241       267.8794 789.7241       267.8794 0.000000       0.000000 160.9281 29.46854 ?        ?        0.000000       29.46854 
1 1 1 14  6  5  o 236.3123 23.32749 1662.598       319.0871 1662.598       319.0871 0.000000       0.000000 236.3123 23.32749 ?        ?        0.000000       23.32749 
1 1 1 14  6  6  o 857.9130 29.41569 21806.66       1477.848 21806.66       1477.848 0.000000       0.000000 857.9130 29.41569 ?        ?        0.000000       29.41569 
1 1 1 14  6  7  o 677.0345 24.94598 13550.81       988.8232 13550.81       988.8232 0.000000       0.000000 677.0345 24.94598 ?        ?        0.000000       24.94598 
1 1 1 14  6  8  o 583.2221 23.13723 10050.31       789.8292 10050.31       789.8292 0.000000       0.000000 583.2221 23.13723 ?        ?        0.000000       23.13723 
1 1 1 14  6  9  f 254.4908 26.77479 1935.725       393.6416 1935.725       393.6416 0.000000       0.000000 254.4908 26.77479 ?        ?        0.000000       26.77479 
1 1 1 14  6  10 o 518.8981 18.64558 7939.499       566.5027 7939.499       566.5027 0.000000       0.000000 518.8981 18.64558 ?        ?        0.000000       18.64558 
1 1 1 14  6  11 o 558.0175 17.73947 9177.240       579.8115 9177.240       579.8115 0.000000       0.000000 558.0175 17.73947 ?        ?        0.000000       17.73947 
1 1 1 14  6  12 o 226.1783 25.47133 1532.266       332.0046 1532.266       332.0046 0.000000       0.000000 226.1783 25.47133 ?        ?        0.000000       25.47133 
1 1 1 14  6  13 o 558.4144 11.84594 9163.799       387.9506 9159.745       551.3701 9167.772       545.9600 557.4161 16.88551 557.6908 16.71118 -0.2747192     23.75677 
1 1 1 14  6  14 o 817.2634 14.79340 19659.81       709.0558 19621.57       1003.789 19697.88       1001.727 814.6437 21.02749 816.2542 20.94268 -1.610535      29.67745 
1 1 1 14  6  15 o 369.2249 10.94514 4010.226       236.7463 4216.562       349.3995 3835.083       321.9073 377.9800 15.79651 360.5251 15.25907 17.45490       21.96290 
1 1 1 14  6  16 f 522.4901 10.91570 8025.378       334.4876 7906.766       472.1466 8144.890       473.9324 517.7147 15.56788 525.4940 15.39453 -7.779358      21.89408 
1 1 1 14  6  17 o 423.6116 13.97371 5291.914       346.6853 0.000000       0.000000 5291.914       346.6853 ?        ?        423.6116 13.97371 0.000000       13.97371 
1 1 1 14  6  18 o 275.8080 10.30014 2240.000       166.3170 2242.252       259.3785 2238.428       216.7386 275.1148 16.14667 275.3053 13.46450 -0.1904907     21.02398 
1 1 1 14  6  19 o 209.5082 10.73301 1294.860       131.4387 1650.721       241.9673 1145.900       156.5496 235.5390 17.64458 196.6734 13.65721 38.86559       22.31256 
1 1 1 14  6  20 o 154.7344 14.00814 712.2496       125.7454 818.3196       191.4356 631.7546       166.7673 164.7700 20.23480 144.4732 20.23638 20.29683       28.61745 
1 1 1 14  6  21 o 377.6088 8.188844 4191.198       181.3490 4686.353       324.2160 3965.741       218.7737 398.1640 13.90558 366.9354 10.17594 31.22858       17.23122 
1 1 1 14  6  22 o 619.7205 9.624197 11302.17       349.7928 11945.44       637.8047 11025.47       418.3149 634.4322 17.15738 611.5771 11.66277 22.85504       20.74598 
1 1 1 14  6  23 f 79.72668 26.59856 182.8091       145.8426 65.59026       169.6717 514.4289       285.3849 67.95013 27.48111 127.2013 36.40742 -59.25117      45.61482 
1 1 1 14  6  24 o 134.5698 14.52103 541.9715       112.7905 500.2018       186.3917 566.1030       141.6734 126.5822 25.97885 136.8292 18.09800 -10.24704      31.66130 
1 1 1 14  6  25 o 238.3531 9.460305 1675.255       131.9815 1817.033       227.1552 1603.002       162.1613 247.0653 15.75906 232.7650 11.91865 14.30023       19.75860 
1 1 1 14  6  26 o 255.0201 8.829672 1916.001       131.8602 2004.059       198.4450 1846.386       176.4448 260.1149 13.05010 249.8289 12.07826 10.28601       17.78172 
1 1 1 14  6  27 o 249.1834 9.347059 1830.343       136.3560 1702.668       199.2001 1942.913       187.0461 239.4833 14.24726 256.2273 12.48482 -16.74397      18.94347 
1 1 1 14  6  28 o 261.0157 9.611258 2008.774       146.8774 2123.612       217.3325 1912.229       199.2726 267.5999 13.89563 253.9926 13.42522 13.60739       19.32162 
1 1 1 14  6  29 o 133.3808 15.77489 534.9288       121.0131 441.3522       185.3015 604.5165       159.7944 118.3654 27.25666 140.9546 19.88153 -22.58914      33.73723 
1 1 1 14  6  30 o 173.3042 12.47624 892.4194       125.9584 980.3206       203.4640 837.7982       160.3879 180.0350 19.58522 167.0356 16.59148 12.99944       25.66823 
1 1 1 14  6  31 o 254.7114 9.203355 1914.430       137.2558 1992.406       209.1857 1855.481       181.8834 258.8492 13.82974 250.1065 12.43891 8.742737       18.60076 
1 1 1 14  6  32 o 233.1701 9.673368 1606.864       131.9948 1470.196       190.5062 1733.049       183.0544 221.8585 14.72472 241.4271 12.97604 -19.56859      19.62639 
1 1 1 14  6  33 o 312.8120 8.039832 2884.616       147.3739 2954.763       218.1310 2825.705       199.8971 315.6372 11.80442 308.8731 11.05291 6.764099       16.17130 
1 1 1 14  6  34 o 147.6599 13.12848 652.8965       112.5073 628.5970       171.5619 671.2314       149.0262 142.5490 21.16276 148.5901 17.43212 -6.041199      27.41790 
1 1 1 14  6  35 o 94.15315 22.50852 282.0236       122.6001 243.1319       193.1228 308.2780       158.6744 89.51270 30.60626 97.75984 26.85483 -8.247139      40.71763 
1 1 1 14  6  36 o 64.40517 22.94199 114.5439       109.1507 288.0835       176.5465 7.166521       138.8724 94.22921 29.06162 55.52558 23.81557 38.70363       37.57338 
1 1 1 14  6  37 o 221.8296 9.715744 1463.495       126.0931 1684.713       192.0483 1295.872       167.1735 236.3349 13.91742 207.2110 13.83564 29.12392       19.62447 
1 1 1 14  6  38 f 287.7638 8.284089 2455.434       139.6623 2638.474       213.4456 2318.396       184.6858 296.3451 12.30794 278.2660 11.34054 18.07907       16.73598 
1 1 1 14  6  39 o 196.2348 14.46486 1174.455       165.3019 1220.810       453.3493 1167.347       177.5235 174.4136 44.25560 195.0009 15.65415 -20.58730      46.94263 
1 1 1 14  6  40 o 94.48917 20.07360 290.1459       107.8030 183.8146       151.3402 399.6732       153.5977 76.39922 27.03435 109.0226 24.60807 -32.62335      36.55698 
1 1 1 14  6  41 o 200.2176 10.12228 1203.439       118.4731 1279.822       171.1585 1133.182       164.1536 204.1153 14.39013 191.8215 14.70368 12.29384       20.57363 
1 1 1 14  6  42 o 46.08884 20.44144 -17.40730      109.9553 60.65563       155.6245 -95.22146      155.3763 61.30156 25.70098 48.67578 22.61400 12.62578       34.23352 
1 1 1 14  6  43 o 80.78768 23.02558 223.1314       114.3849 159.6622       163.6015 283.8281       159.9884 72.43850 27.66744 89.04881 27.69911 -16.61031      39.15007 
1 1 1 14  6  44 o 68.90280 23.76415 155.9505       116.5003 195.4113       182.0947 128.6060       151.5826 77.01768 29.24346 67.38995 26.38768 9.627731       39.38895 
1 1 1 14  6  45 o 62.75584 23.65873 116.0420       118.6891 200.5460       187.8115 59.85329       153.1468 77.42034 29.62575 59.87732 25.32132 17.54302       38.97248 
1 1 1 14  6  46 o 78.36435 25.14380 218.0578       130.9023 113.7000       209.7107 284.6749       167.5526 69.82687 29.58447 87.27820 28.48335 -17.45132      41.06753 
1 1 1 14  6  47 o 78.81721 26.36609 223.7883       143.2895 116.6904       226.1663 295.6032       185.2016 70.99413 30.42023 87.82792 29.97341 -16.83379      42.70592 
1 1 1 14  7  0  o 378.4807 14.96772 4216.823       331.5833 0.000000       0.000000 4216.823       331.5833 ?        ?        378.4807 14.96772 0.000000       14.96772 
1 1 1 14  7  1  o 809.8923 19.57393 19310.52       929.7275 19024.97       1287.373 19621.80       1344.129 801.9039 27.41389 814.1930 28.19154 -12.28906      39.32282 
1 1 1 14  7  2  o 496.9300 14.49006 7263.144       421.8439 7059.894       565.3041 7518.544       633.6902 489.2855 19.74067 504.7004 21.45779 -15.41495      29.15700 
1 1 1 14  7  3  o 475.7526 14.49443 6657.906       403.9486 6462.612       542.5698 6900.781       605.0656 468.0797 19.80926 483.4845 21.39173 -15.40482      29.15498 
1 1 1 14  7  4  o 606.7531 22.41882 10867.57       796.3935 10867.57       796.3935 0.000000       0.000000 606.7531 22.41882 ?        ?        0.000000       22.41882 
1 1 1 14  7  5  o 747.6567 26.15417 16531.97       1145.050 16531.97       1145.050 0.000000       0.000000 747.6567 26.15417 ?        ?        0.000000       26.15417 
1 1 1 14  7  6  o 213.8411 27.94329 1374.741       342.0689 1374.741       342.0689 0.000000       0.000000 213.8411 27.94329 ?        ?        0.000000       27.94329 
1 1 1 14  7  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  7  8  o 658.7769 15.50028 12761.98       598.8641 12761.98       598.8641 0.000000       0.000000 658.7769 15.50028 ?        ?        0.000000       15.50028 
1 1 1 14  7  9  o 306.3745 16.92574 2770.443       302.9422 2770.443       302.9422 0.000000       0.000000 306.3745 16.92574 ?        ?        0.000000       16.92574 
1 1 1 14  7  10 o 971.2040 19.49057 27793.37       1110.160 27793.37       1110.160 0.000000       0.000000 971.2040 19.49057 ?        ?        0.000000       19.49057 
1 1 1 14  7  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  7  12 o 1005.538 25.05810 29925.91       1477.737 29925.91       1477.737 0.000000       0.000000 1005.538 25.05810 ?        ?        0.000000       25.05810 
1 1 1 14  7  13 f 656.4788 12.90081 12672.08       496.6931 12360.60       683.7990 13019.99       722.6721 647.2725 18.03076 664.2042 18.57015 -16.93170      25.88357 
1 1 1 14  7  14 o 584.3605 11.85442 10038.95       406.2672 9931.952       568.7935 10150.38       580.4819 580.2695 16.73124 586.5878 16.89108 -6.318298      23.77484 
1 1 1 14  7  15 o 518.2552 11.09330 7895.465       337.1748 7860.510       480.7527 7929.303       473.0159 516.1971 15.89914 518.5159 15.57240 -2.318787      22.25494 
1 1 1 14  7  16 o 285.9467 11.17630 2407.947       187.0668 2487.222       279.7423 2343.821       251.5954 289.9008 16.52190 281.5805 15.29265 8.320313       22.51307 
1 1 1 14  7  17 o 675.4732 12.46923 13430.97       493.9675 13175.65       685.1209 13707.38       712.8554 667.5522 17.51487 680.7842 17.86969 -13.23206      25.02192 
1 1 1 14  7  18 o 406.9730 9.731451 4869.553       232.2703 5104.151       357.3820 4697.992       305.6185 415.7138 14.68149 399.1090 13.07447 16.60480       19.65929 
1 1 1 14  7  19 o 850.5338 12.29978 21312.09       613.5349 21645.68       1077.443 21152.01       746.3605 852.8086 21.55959 846.3619 15.03634 6.446716       26.28512 
1 1 1 14  7  20 o 318.8159 9.192684 2991.546       171.7035 2859.834       253.2968 3103.526       233.5539 310.9696 13.92400 324.2674 12.30330 -13.29779      18.58088 
1 1 1 14  7  21 o 287.0343 8.796601 2425.056       147.9062 2430.701       258.1265 2422.296       180.4711 286.2578 15.43239 286.6048 10.75586 -0.3469543     18.81082 
1 1 1 14  7  22 o 384.6780 8.313794 4351.230       187.5630 4035.020       294.1280 4567.944       243.4961 369.3413 13.60193 393.6703 10.55604 -24.32892      17.21750 
1 1 1 14  7  23 o 252.1414 8.871583 1872.839       130.9841 2126.253       218.0181 1729.702       163.8523 267.8133 13.92851 241.9050 11.58300 25.90834       18.11544 
1 1 1 14  7  24 o 87.60212 21.29869 238.5531       108.3496 87.66703       174.4904 333.2407       138.2273 70.92867 28.14452 103.3848 23.35089 -32.45615      36.57018 
1 1 1 14  7  25 o 261.6023 9.347591 2017.258       143.1836 2228.401       245.4630 1908.360       176.2819 273.7989 15.34779 254.0272 11.86529 19.77165       19.39948 
1 1 1 14  7  26 o 74.23286 23.50605 163.6043       114.7080 -0.4857846     183.0488 269.7076       147.1940 63.81043 27.35520 93.11980 25.97505 -29.30938      37.72281 
1 1 1 14  7  27 o 372.3819 8.086220 4078.017       176.5975 4093.219       256.6915 4064.356       243.3365 372.2940 11.77121 371.1031 11.19332 1.190918       16.24352 
1 1 1 14  7  28 o 39.46288 18.93833 -179.9716      126.7315 -117.7945      189.1070 -230.6613      170.7467 56.16782 25.67605 46.24194 22.13592 9.925884       33.90071 
1 1 1 14  7  29 o 80.14306 22.96222 197.9428       113.4649 144.0099       178.4385 234.5529       147.0152 77.65533 29.06518 87.46861 26.43152 -9.813278      39.28625 
1 1 1 14  7  30 f 180.8362 11.25242 969.1481       118.7476 1087.026       186.7360 889.1171       153.8656 190.3583 16.90205 172.3722 15.38176 17.98616       22.85340 
1 1 1 14  7  31 o 327.8892 8.588946 3169.042       165.0226 3257.616       276.6457 3120.115       205.6091 330.9421 14.28715 324.8564 10.80700 6.085785       17.91407 
1 1 1 14  7  32 o 175.9779 11.47597 919.9843       117.7937 1224.832       191.1056 733.2015       149.5891 201.9526 16.27283 155.8410 16.62329 46.11156       23.26239 
1 1 1 14  7  33 f 36.96457 17.54460 -122.0109      102.6387 -115.7632      161.3932 -126.2536      132.9988 50.55810 23.33366 43.92460 20.57619 6.633503       31.11011 
1 1 1 14  7  34 o 67.53987 23.48749 128.0159       113.9052 158.9078       183.6469 108.7017       145.2109 78.90197 29.49556 68.47464 26.08720 10.42733       39.37677 
1 1 1 14  7  35 o 94.62926 21.60694 284.0882       117.2704 377.0254       187.6858 224.5686       150.1990 107.3433 29.09257 84.78506 26.90393 22.55827       39.62574 
1 1 1 14  7  36 o 43.72166 19.52905 -34.71609      102.1901 -65.83799      165.3171 -15.47044      130.0023 54.13394 24.45349 51.59030 22.57744 2.543636       33.28233 
1 1 1 14  7  37 o 86.30182 21.45805 240.6402       108.1471 271.4936       164.4608 217.1342       143.5494 90.72343 28.06120 82.23376 26.32489 8.489670       38.47636 
1 1 1 14  7  38 f 62.18497 22.25725 109.5396       102.8556 139.2173       156.1617 86.80011       136.6940 71.71893 27.11552 63.08516 24.94917 8.633766       36.84715 
1 1 1 14  7  39 o 110.3346 17.12183 382.1584       107.2041 240.7900       172.7832 470.6438       136.6976 85.40732 28.95416 121.3980 19.88794 -35.99071      35.12654 
1 1 1 14  7  40 o 78.94526 23.23680 206.7164       114.7889 176.7521       184.4133 225.6695       146.6658 77.43627 29.42281 82.15714 26.63727 -4.720871      39.68937 
1 1 1 14  7  41 o 36.89874 17.72170 -143.1788      111.4657 -64.94083      171.8195 -200.0342      146.4703 53.62897 24.49984 41.23172 19.93042 12.39725       31.58265 
1 1 1 14  7  42 o 155.7346 13.38301 744.8845       121.0491 627.6171       178.8484 844.0143       164.4367 137.0039 23.07811 163.3689 17.43141 -26.36494      28.92150 
1 1 1 14  7  43 o 73.46712 24.18807 181.4734       120.7148 41.27438       181.4756 292.7391       161.6689 62.26393 26.96808 90.18260 27.80956 -27.91867      38.73821 
1 1 1 14  7  44 o 83.76476 23.55184 244.2609       120.5027 204.0423       180.6535 276.5002       161.7434 77.84054 29.22204 87.19330 27.94654 -9.352760      40.43435 
1 1 1 14  7  45 o 76.04504 24.44062 201.1236       123.6463 227.6780       194.6767 183.1685       160.0808 80.53376 30.31326 74.16327 27.57464 6.370491       40.97871 
1 1 1 14  7  46 o 52.50002 22.74289 21.68510       129.1089 -145.8406      226.0567 102.7860       157.2858 55.26759 26.17478 64.27849 26.28620 -9.010902      37.09560 
1 1 1 14  7  47 o 50.92493 22.71373 -8.631240      137.7144 -231.9924      221.6930 131.7182       175.7331 50.75033 24.52865 68.49335 27.86964 -17.74303      37.12643 
1 1 1 14  8  0  o 216.6064 15.39574 1386.198       194.3043 1548.099       247.2158 1124.552       314.2740 228.6008 18.60004 192.9553 28.63928 35.64551       34.14923 
1 1 1 14  8  1  o 138.6146 24.38731 583.4238       191.0190 564.4803       234.7099 620.5848       328.7349 135.4583 30.30374 142.0128 38.50832 -6.554504      49.00211 
1 1 1 14  8  2  o 91.08506 31.24636 224.7215       201.3251 351.8479       245.5965 -35.70036      351.5143 109.4204 34.36145 87.11491 37.63207 22.30551       50.95961 
1 1 1 14  8  3  o 256.4752 16.74637 1942.902       250.5156 1975.188       316.2171 1888.484       410.5287 258.0698 21.07624 251.1331 28.36941 6.936707       35.34164 
1 1 1 14  8  4  o 181.1328 24.17225 985.0228       250.3778 1193.136       319.1985 652.1943       403.6651 198.9386 28.14340 146.6004 43.68357 52.33820       51.96446 
1 1 1 14  8  5  o 307.7548 21.08239 2803.992       378.2196 2803.992       378.2196 0.000000       0.000000 307.7548 21.08239 ?        ?        0.000000       21.08239 
1 1 1 14  8  6  o 263.2978 22.62454 2059.580       345.9794 2059.580       345.9794 0.000000       0.000000 263.2978 22.62454 ?        ?        0.000000       22.62454 
1 1 1 14  8  7  o 286.8593 21.40748 2439.293       357.5545 2439.293       357.5545 0.000000       0.000000 286.8593 21.40748 ?        ?        0.000000       21.40748 
1 1 1 14  8  8  o 52.97332 25.30300 -297.7300      220.5030 -297.7300      220.5030 0.000000       0.000000 52.97332 25.30300 ?        ?        0.000000       25.30300 
1 1 1 14  8  9  o 672.7717 15.12320 13311.22       596.7081 13311.22       596.7081 0.000000       0.000000 672.7717 15.12320 ?        ?        0.000000       15.12320 
1 1 1 14  8  10 o 651.6970 14.45414 12488.93       552.4442 12488.93       552.4442 0.000000       0.000000 651.6970 14.45414 ?        ?        0.000000       14.45414 
1 1 1 14  8  11 o 663.8016 18.57351 12995.71       722.3633 12995.71       722.3633 0.000000       0.000000 663.8016 18.57351 ?        ?        0.000000       18.57351 
1 1 1 14  8  12 o 171.9390 30.61002 905.0956       297.3497 905.0956       297.3497 0.000000       0.000000 171.9390 30.61002 ?        ?        0.000000       30.61002 
1 1 1 14  8  13 o 225.1141 16.02084 1500.167       210.1314 1565.710       299.5082 1436.632       294.8871 228.9645 22.59872 219.0993 23.30625 9.865219       32.46357 
1 1 1 14  8  14 o 287.4113 13.21311 2435.524       222.1242 2736.487       329.5251 2184.894       300.7108 303.9183 18.57636 271.3690 19.01496 32.54929       26.58289 
1 1 1 14  8  15 o 282.2318 12.16119 2347.413       200.8224 2446.271       290.9010 2257.401       277.5787 287.4025 17.33919 276.0612 17.23062 11.34128       24.44467 
1 1 1 14  8  16 o 429.3202 10.11820 5417.875       254.7623 5296.500       361.5594 5537.556       359.0305 423.6906 14.57227 433.3116 14.14696 -9.620911      20.30979 
1 1 1 14  8  17 o 207.0346 12.86651 1267.180       155.4542 1306.857       238.0240 1237.668       205.2826 209.1612 19.63345 203.9238 17.32856 5.237411       26.18685 
1 1 1 14  8  18 o 435.6937 8.591149 5578.533       219.5245 5800.991       382.7057 5469.443       267.9980 443.1271 14.74658 431.1702 10.59821 11.95694       18.15995 
1 1 1 14  8  19 o 233.4768 9.857099 1606.320       134.6682 1764.144       240.3682 1534.117       162.5803 243.5820 16.93141 227.8582 12.21074 15.72374       20.87522 
1 1 1 14  8  20 o 393.7640 11.45339 4571.354       264.2158 4168.017       317.7145 5475.773       475.7605 375.3673 14.45916 429.0342 18.95481 -53.66693      23.84013 
1 1 1 14  8  21 o 107.4406 19.27683 353.2677       117.0031 512.7974       205.8597 277.1425       142.2050 127.9657 28.19242 94.43929 25.20567 33.52643       37.81717 
1 1 1 14  8  22 o 479.8503 8.555107 6772.439       240.7586 6711.545       402.9246 6806.253       300.2545 476.1466 14.44559 480.6478 10.65153 -4.501221      17.94798 
1 1 1 14  8  23 o 245.2882 9.160623 1773.182       131.5493 1507.635       216.6374 1928.291       165.5699 224.8251 16.54593 255.5178 11.07496 -30.69270      19.91036 
1 1 1 14  8  24 o 498.5388 8.766726 7313.369       256.3226 7796.177       455.3203 7089.375       310.1336 512.7605 15.15755 490.4115 10.78295 22.34900       18.60170 
1 1 1 14  8  25 o 149.3691 13.62746 665.0488       118.0651 669.5154       215.8996 663.1432       141.0189 146.8850 26.01448 148.6040 16.45611 -1.718994      30.78241 
1 1 1 14  8  26 o 54.28446 22.48708 25.64562       117.0672 304.1269       196.7548 -126.9676      145.6543 99.52901 30.67695 46.95904 21.84314 52.56997       37.65897 
1 1 1 14  8  27 o 273.2574 9.972713 2202.123       159.5537 2225.674       261.6787 2188.186       201.3020 273.4040 16.39505 271.9185 12.65762 1.485443       20.71263 
1 1 1 14  8  28 o 365.2800 8.127361 3924.623       174.1109 3941.668       260.1633 3910.795       234.3195 365.1849 12.16436 364.0142 10.98847 1.170715       16.39262 
1 1 1 14  8  29 o 258.4697 8.908674 1969.204       134.8415 2112.867       209.3353 1867.324       176.2849 266.8847 13.41725 251.1526 12.00289 15.73212       18.00255 
1 1 1 14  8  30 o 46.05434 20.31038 -28.19943      107.0679 -25.70982      177.2751 -29.62906      134.3367 60.46167 26.41437 51.94984 22.83617 8.511829       34.91718 
1 1 1 14  8  31 o 154.5390 12.99190 712.6431       116.6609 703.6373       186.2294 718.4598       149.6664 151.2978 21.60018 154.2868 16.81199 -2.989029      27.37172 
1 1 1 14  8  32 o 242.0502 10.05145 1733.010       142.3765 1506.230       231.8169 1870.368       180.4133 223.5200 17.83165 250.9464 12.29593 -27.42648      21.66004 
1 1 1 14  8  33 o 308.6380 8.170072 2809.225       147.7555 2887.109       228.7877 2753.498       193.5264 311.7014 12.54097 304.9029 10.83976 6.798553       16.57638 
1 1 1 14  8  34 o 139.0900 15.04250 584.4001       120.7561 389.0333       184.1173 731.8774       159.9676 109.4984 28.42478 154.9537 17.93337 -45.45525      33.60913 
1 1 1 14  8  35 f 37.84582 18.08095 -144.7276      112.7154 -246.9231      197.0568 -95.03224      137.4147 49.68523 23.78316 46.77832 21.56822 2.906910       32.10649 
1 1 1 14  8  36 f 196.9715 9.988379 1154.054       115.0082 1109.203       189.0815 1180.391       144.8927 190.5139 17.10466 198.4191 12.51499 -7.905197      21.19421 
1 1 1 14  8  37 o 96.93266 19.99024 300.3052       109.8664 239.1302       174.1490 340.7505       141.6015 86.22681 29.06899 101.8618 24.08473 -15.63496      37.75024 
1 1 1 14  8  38 o 98.98672 18.77667 311.8748       105.0178 373.4945       168.6539 272.8526       134.2124 104.9153 27.18982 90.57775 24.62379 14.33753       36.68266 
1 1 1 14  8  39 o 150.7349 13.16020 690.9958       115.1740 674.9236       176.1851 702.9894       152.1966 144.8978 21.37378 149.9737 17.64070 -5.075821      27.71340 
1 1 1 14  8  40 o 46.63203 20.48534 -10.75144      107.9428 -302.1684      174.0864 171.2691       137.5839 42.10506 20.65258 73.65910 25.80040 -31.55404      33.04829 
1 1 1 14  8  41 o 178.0426 11.64511 960.3167       120.9283 1118.138       190.0905 853.0247       156.7332 188.6012 17.38101 165.1842 16.39476 23.41693       23.89326 
1 1 1 14  8  42 o 98.54890 21.11709 323.4317       118.3780 215.6919       179.1033 407.0091       157.7466 80.32903 29.28636 108.3075 25.29453 -27.97849      38.69760 
1 1 1 14  8  43 o 82.21263 23.79674 233.7240       121.2780 391.0545       190.1251 125.7875       157.4770 102.4568 29.83588 67.82143 26.79238 34.63540       40.10002 
1 1 1 14  8  44 o 129.9422 17.10691 540.8716       127.2048 583.9674       203.1690 513.0855       163.1375 126.6688 28.08570 122.0695 23.64169 4.599327       36.71152 
1 1 1 14  8  45 o 122.8281 18.39841 492.1721       128.4601 633.3961       230.7999 428.7865       154.6240 128.5898 30.97421 110.2997 24.53640 18.29009       39.51501 
1 1 1 14  8  46 o 39.75028 19.10319 -152.0503      129.9855 28.04427       225.4770 -241.6967      159.0809 64.81097 28.97462 40.91067 19.99843 23.90030       35.20605 
1 1 1 14  8  47 o 180.1160 14.09348 1015.179       147.6902 837.9660       222.4491 1154.871       197.5004 153.1222 25.67920 188.4588 18.09096 -35.33662      31.41185 
1 1 1 14  9  0  o 591.7737 22.75097 10342.58       788.1273 0.000000       0.000000 10342.58       788.1273 ?        ?        591.7737 22.75097 0.000000       22.75097 
1 1 1 14  9  1  o 865.4667 20.70668 22068.50       1051.021 22309.58       1482.754 21825.07       1490.009 867.6923 29.17904 858.0618 29.65329 9.630554       41.60210 
1 1 1 14  9  2  o 464.8102 14.39827 6356.020       392.0239 6444.384       523.6337 6243.332       591.3293 467.4539 19.14070 459.6687 21.99866 7.785248       29.16004 
1 1 1 14  9  3  o 303.4628 15.26966 2714.297       270.8866 2577.859       340.3959 2949.923       447.3313 295.1947 19.77597 315.1964 24.38860 -20.00165      31.39893 
1 1 1 14  9  4  o 552.5659 22.92762 9022.423       741.3940 0.000000       0.000000 9022.423       741.3940 ?        ?        552.5659 22.92762 0.000000       22.92762 
1 1 1 14  9  5  o 256.5570 22.46296 1956.076       334.5818 1956.076       334.5818 0.000000       0.000000 256.5570 22.46296 ?        ?        0.000000       22.46296 
1 1 1 14  9  6  o 431.3463 19.72050 5492.670       497.5584 5492.670       497.5584 0.000000       0.000000 431.3463 19.72050 ?        ?        0.000000       19.72050 
1 1 1 14  9  7  o 78.05669 31.67763 74.43372       226.3383 74.43372       226.3383 0.000000       0.000000 78.05669 31.67763 ?        ?        0.000000       31.67763 
1 1 1 14  9  8  o 490.7122 13.24548 7082.120       380.8446 7082.120       380.8446 0.000000       0.000000 490.7122 13.24548 ?        ?        0.000000       13.24548 
1 1 1 14  9  9  o 200.2632 17.99951 1190.547       209.1507 1190.547       209.1507 0.000000       0.000000 200.2632 17.99951 ?        ?        0.000000       17.99951 
1 1 1 14  9  10 o 248.6987 24.00232 1845.311       345.7435 1845.311       345.7435 0.000000       0.000000 248.6987 24.00232 ?        ?        0.000000       24.00232 
1 1 1 14  9  11 o 389.7500 16.07596 4480.063       366.6742 4480.063       366.6742 0.000000       0.000000 389.7500 16.07596 ?        ?        0.000000       16.07596 
1 1 1 14  9  12 o 360.1615 12.61022 3818.858       265.9500 3818.858       265.9500 0.000000       0.000000 360.1615 12.61022 ?        ?        0.000000       12.61022 
1 1 1 14  9  13 o 209.9743 24.79021 1325.261       299.3999 0.000000       0.000000 1325.261       299.3999 ?        ?        209.9743 24.79021 0.000000       24.79021 
1 1 1 14  9  14 o 172.8431 18.88583 892.7332       188.3309 1347.653       266.8499 441.2731       265.8332 212.2690 21.74220 120.0571 35.36786 92.21189       41.51637 
1 1 1 14  9  15 o 661.9135 12.51553 12893.24       485.8488 12520.89       666.6393 13315.07       709.5549 650.9633 17.47741 671.1387 18.04336 -20.17535      25.12016 
1 1 1 14  9  16 o 449.9649 10.14896 5952.559       267.8246 6071.400       389.5805 5846.059       368.7960 453.5632 14.66494 445.1578 14.14403 8.405365       20.37435 
1 1 1 14  9  17 o 303.1795 9.969352 2705.763       177.0216 2688.710       263.1447 2719.861       239.2505 301.5042 14.92806 303.4895 13.47544 -1.985352      20.11055 
1 1 1 14  9  18 o 183.9963 11.97762 1001.316       128.5474 909.0925       235.9408 1040.248       153.2978 173.0101 23.89005 187.2572 14.06147 -14.24709      27.72110 
1 1 1 14  9  19 o 329.3856 12.16515 3201.663       234.5989 3495.803       300.8744 2745.506       374.6844 343.6588 14.96406 302.9835 21.22026 40.67526       25.96579 
1 1 1 14  9  20 o 147.1648 14.09771 645.4086       120.1894 883.3515       225.2564 550.7066       142.1086 170.4456 23.13048 135.0083 18.42825 35.43723       29.57397 
1 1 1 14  9  21 o 521.8876 8.935686 8012.068       273.4988 8617.196       497.4510 7749.901       327.4274 539.2294 15.74678 512.8873 10.88535 26.34204       19.14293 
1 1 1 14  9  22 o 527.2935 8.957737 8180.993       277.0137 7989.793       453.4321 8294.850       349.9029 519.3279 14.90285 530.4297 11.24784 -11.10181      18.67107 
1 1 1 14  9  23 o 324.7104 8.109656 3100.838       154.4362 3276.224       270.5679 3016.086       188.0847 332.5471 13.90374 319.8392 10.03944 12.70786       17.14947 
1 1 1 14  9  24 o 397.4667 8.318642 4647.076       193.9116 4987.089       342.9062 4487.229       235.1150 410.2671 14.27316 390.1159 10.28526 20.15121       17.59288 
1 1 1 14  9  25 o 263.2962 9.126464 2042.903       140.7151 2098.069       253.1389 2018.233       169.2788 265.4123 16.34174 261.3976 11.06711 4.014648       19.73660 
1 1 1 14  9  26 o 163.2710 13.49788 793.2432       128.0945 781.1366       227.8750 798.8359       154.8810 159.1946 25.24894 163.2906 16.39442 -4.095963      30.10459 
1 1 1 14  9  27 o 437.6187 9.004320 5636.306       231.0986 5669.887       382.4522 5616.994       290.0367 437.2836 14.93486 436.2578 11.34561 1.025787       18.75562 
1 1 1 14  9  28 o 102.1751 21.31494 323.8315       123.5877 363.4509       221.6979 305.9680       148.8643 107.8390 32.42967 98.79166 25.51545 9.047348       41.26405 
1 1 1 14  9  29 o 400.3149 7.957988 4714.797       186.8338 4610.223       272.2251 4807.920       256.8874 394.9052 11.76710 403.5295 10.86456 -8.624268      16.01572 
1 1 1 14  9  30 o 147.7832 13.79664 652.9227       118.1955 664.5774       188.7247 645.4012       151.6117 146.8226 22.64446 145.9253 18.10344 0.8972473      28.99148 
1 1 1 14  9  31 o 68.34904 23.69397 130.0471       115.8731 395.0894       184.7469 -41.82604      148.7729 111.1126 28.28269 53.65762 23.78902 57.45498       36.95711 
1 1 1 14  9  32 o 97.38479 21.02180 297.1606       116.5407 290.0128       183.1756 302.0215       151.0564 96.04768 29.59863 97.44003 25.96548 -1.392357      39.37366 
1 1 1 14  9  33 o 66.09992 24.40675 109.6146       125.0189 23.36682       221.4765 149.9481       151.4559 70.75109 30.20426 74.67377 26.97314 -3.922676      40.49503 
1 1 1 14  9  34 f 280.9114 9.088690 2333.118       149.5372 2442.850       226.5528 2248.403       199.0597 286.0315 13.54379 274.7934 12.38352 11.23813       18.35172 
1 1 1 14  9  35 o 150.7888 13.10262 683.3053       114.7227 666.7047       182.1643 694.2173       147.6907 145.8322 21.98136 150.7774 16.99781 -4.945114      27.78679 
1 1 1 14  9  36 o 93.25963 19.71306 276.3807       104.4413 161.5058       166.6100 350.7419       134.0485 76.24483 28.17148 104.3288 22.56566 -28.08392      36.09489 
1 1 1 14  9  37 o 166.1106 11.70298 829.2109       113.2807 770.1284       176.8203 870.3427       147.5337 156.6553 19.67897 168.8913 15.05232 -12.23602      24.77568 
1 1 1 14  9  38 o 121.9808 15.83993 460.7789       110.6436 511.8616       172.3547 424.9710       144.3031 124.4851 24.48056 114.2190 22.34269 10.26618       33.14354 
1 1 1 14  9  39 o 140.3557 13.89293 602.7101       112.8613 746.0336       188.1574 522.1647       141.0533 152.1056 21.70749 128.0750 19.38436 24.03056       29.10272 
1 1 1 14  9  40 o 59.67155 22.80170 91.58214       111.1513 225.1751       186.9949 18.59204       138.2197 82.82220 29.96371 55.04528 23.68667 27.77692       38.19532 
1 1 1 14  9  41 o 56.26306 22.34882 69.93401       110.1363 -12.93851      167.6463 132.8589       146.0831 56.63444 25.17276 68.48392 26.14733 -11.84948      36.29533 
1 1 1 14  9  42 o 56.24098 23.00924 59.95741       120.5788 56.09423       177.0208 63.30131       164.6941 63.27266 27.00723 62.44477 26.32510 0.8278885      37.71473 
1 1 1 14  9  43 o 183.1061 12.10913 1023.917       129.3067 1104.309       203.2414 969.2461       167.6031 185.0053 19.00151 175.1920 16.50693 9.813354       25.17014 
1 1 1 14  9  44 o 73.83274 24.44293 186.6343       123.2163 52.80360       192.8925 278.8854       160.1487 63.91420 27.74252 87.42037 27.78556 -23.50618      39.26430 
1 1 1 14  9  45 o 91.82742 24.76376 301.3290       136.3941 82.61230       215.0660 448.4848       176.4085 67.95109 29.39473 110.4440 27.37387 -42.49295      40.16689 
1 1 1 14  9  46 o 75.06831 25.59752 197.7713       135.0679 213.3660       231.5450 189.7278       166.2920 79.51527 32.12295 74.66448 28.03503 4.850784       42.63622 
1 1 1 14  10 0  o 441.1902 20.89952 5749.319       539.2330 0.000000       0.000000 5749.319       539.2330 ?        ?        441.1902 20.89952 0.000000       20.89952 
1 1 1 14  10 1  o 580.0225 15.44584 9899.548       524.9528 9381.719       688.7634 10617.29       810.8879 563.8259 20.86528 599.4319 23.10919 -35.60608      31.13510 
1 1 1 14  10 2  o 313.3492 13.91346 2891.399       255.0527 3090.576       323.5325 2564.381       414.5558 323.6454 17.10578 293.7291 24.28172 29.91638       29.70201 
1 1 1 14  10 3  o 1070.996 25.06654 33885.48       1574.464 34078.50       2221.906 33690.80       2231.381 1069.532 35.47175 1063.253 35.83502 6.279297       50.42215 
1 1 1 14  10 4  o 735.1951 18.21699 15913.18       785.4703 16160.85       1104.703 15659.95       1117.046 739.0500 25.52545 727.3106 26.23084 11.73938       36.60063 
1 1 1 14  10 5  o 488.0974 14.44045 7010.096       412.9143 6913.320       550.0098 7135.085       625.0615 484.0431 19.41413 491.3743 21.74386 -7.331146      29.14968 
1 1 1 14  10 6  o 121.5885 33.28552 453.5611       244.2477 453.5611       244.2477 0.000000       0.000000 121.5885 33.28552 ?        ?        0.000000       33.28552 
1 1 1 14  10 7  o 329.7475 14.38511 3203.112       277.5229 3203.112       277.5229 0.000000       0.000000 329.7475 14.38511 ?        ?        0.000000       14.38511 
1 1 1 14  10 8  o 154.5069 22.96529 720.0874       201.7800 720.0874       201.7800 0.000000       0.000000 154.5069 22.96529 ?        ?        0.000000       22.96529 
1 1 1 14  10 9  o 180.7454 19.52236 974.3140       203.6630 974.3140       203.6630 0.000000       0.000000 180.7454 19.52236 ?        ?        0.000000       19.52236 
1 1 1 14  10 10 o 467.4492 12.64295 6428.357       346.2856 6428.357       346.2856 0.000000       0.000000 467.4492 12.64295 ?        ?        0.000000       12.64295 
1 1 1 14  10 11 o 240.6719 22.57747 1728.020       314.9564 1728.020       314.9564 0.000000       0.000000 240.6719 22.57747 ?        ?        0.000000       22.57747 
1 1 1 14  10 12 o 564.5924 13.38546 9378.629       443.2195 9378.629       443.2195 0.000000       0.000000 564.5924 13.38546 ?        ?        0.000000       13.38546 
1 1 1 14  10 13 o 159.0586 20.69484 760.5686       188.4770 556.9458       257.6632 994.9117       276.4174 133.7474 33.04363 181.0055 26.85174 -47.25809      42.57814 
1 1 1 14  10 14 o 714.5296 13.33579 15030.33       558.8424 14436.23       757.3751 15740.37       827.9813 698.7612 18.49753 729.3742 19.37333 -30.61298      26.78590 
1 1 1 14  10 15 o 319.6875 10.71835 3008.670       200.6732 2959.027       291.1755 3053.580       276.9484 316.3183 15.74517 321.5126 14.72669 -5.194244      21.55889 
1 1 1 14  10 16 o 209.4023 12.69661 1296.116       155.1938 1303.566       235.3555 1290.385       206.4321 208.9031 19.43293 208.2752 17.04917 0.6278992      25.85175 
1 1 1 14  10 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  10 18 o 392.0405 8.385589 4517.325       192.8036 4514.589       336.6871 4518.660       235.1835 390.7179 14.71939 391.7444 10.24534 -1.026459      17.93398 
1 1 1 14  10 19 o 351.4251 9.444064 3635.500       194.4681 3646.105       307.1245 3628.402       251.2520 350.9213 14.95724 350.6234 12.23726 0.2978821      19.32536 
1 1 1 14  10 20 o 332.5472 8.553444 3254.018       166.6803 2975.365       278.9189 3408.809       207.8830 316.8247 15.05402 340.0879 10.43497 -23.26315      18.31699 
1 1 1 14  10 21 o 307.6592 8.372247 2785.724       150.9241 2855.805       273.2093 2754.946       181.0572 310.2621 15.05967 305.6990 10.11275 4.563049       18.14005 
1 1 1 14  10 22 o 218.2922 9.671329 1405.731       123.5081 1162.861       228.3654 1506.142       146.8362 196.4464 20.10472 225.7556 11.12458 -29.30920      22.97730 
1 1 1 14  10 23 o 196.3213 10.17468 1138.481       116.7493 1096.447       222.6840 1154.415       137.1029 190.6069 20.22899 197.4326 11.89589 -6.825699      23.46751 
1 1 1 14  10 24 o 261.4206 9.062840 2013.862       138.7386 1868.941       248.2939 2079.650       167.2912 250.2641 17.01799 265.3962 10.77038 -15.13216      20.13983 
1 1 1 14  10 25 o 280.0114 9.079063 2310.051       148.8994 2448.938       270.0523 2249.384       178.4809 286.8886 16.11511 275.9925 11.04899 10.89606       19.53912 
1 1 1 14  10 26 o 303.7367 9.416843 2718.516       167.5437 2534.891       300.6523 2801.225       201.7789 291.4903 17.66992 308.0210 11.18838 -16.53070      20.91425 
1 1 1 14  10 27 o 33.86667 16.78404 -292.7630      125.5552 -117.8414      218.4944 -378.9998      153.4140 61.32040 27.86388 36.63832 18.22448 24.68208       33.29456 
1 1 1 14  10 28 o 52.33562 22.15522 8.541967       117.4466 161.9670       221.6043 -51.38482      138.4971 84.34956 32.20458 51.00385 22.76160 33.34571       39.43635 
1 1 1 14  10 29 o 363.2730 8.757755 3885.918       186.5849 3811.721       310.4484 3927.876       233.4541 358.1127 14.81351 364.6472 10.92870 -6.534546      18.40860 
1 1 1 14  10 30 o 136.6410 14.84225 561.1332       117.0324 713.3992       195.2811 475.7940       146.1950 152.1262 22.57142 124.1913 20.80737 27.93493       30.69879 
1 1 1 14  10 31 o 163.4492 12.80641 796.7852       121.7815 723.4730       199.0842 840.6202       153.9428 152.8770 22.90943 167.1740 15.89239 -14.29704      27.88207 
1 1 1 14  10 32 o 356.2282 8.216372 3739.562       171.6560 3875.583       264.6153 3640.735       225.5533 361.2707 12.50798 350.6445 10.98164 10.62619       16.64470 
1 1 1 14  10 33 o 275.6190 8.964262 2244.297       144.7092 2112.677       227.5562 2333.666       187.5082 265.7500 14.65716 280.4130 11.42568 -14.66299      18.58436 
1 1 1 14  10 34 o 187.6426 12.10221 1050.548       132.4722 1051.647       241.7599 1050.076       158.3626 183.7779 22.92792 186.8866 14.56344 -3.108627      27.16216 
1 1 1 14  10 35 o 107.0824 18.12687 356.8754       109.7816 296.6962       182.3456 391.0900       137.4922 95.43498 29.55255 110.9007 21.91678 -15.46569      36.79264 
1 1 1 14  10 36 o 268.0768 8.422723 2129.193       132.2583 1971.226       198.1237 2256.174       177.6326 255.9997 13.24112 274.9602 11.03788 -18.96046      17.23839 
1 1 1 14  10 37 o 37.93104 17.87593 -102.5973      103.0538 -19.34810      161.4889 -159.7898      133.8512 56.35843 24.89524 41.31541 19.72890 15.04302       31.76480 
1 1 1 14  10 38 o 67.92752 22.35890 144.1674       103.1499 234.5896       167.6427 89.07852       130.8517 84.49545 28.52082 62.35326 24.48669 22.14219       37.59036 
1 1 1 14  10 39 o 43.45895 19.47636 -31.87005      102.5495 -34.15427      168.0806 -30.51555      129.4312 55.69165 24.94831 49.18728 21.97383 6.504372       33.24556 
1 1 1 14  10 40 o 132.7360 15.67242 549.2635       119.6545 556.6640       179.9319 543.3962       160.2133 128.2982 24.81063 128.4843 22.05581 -0.1860962     33.19678 
1 1 1 14  10 41 o 152.7229 13.47523 716.4376       119.4587 729.4938       191.6499 708.1418       152.7665 148.2643 22.76712 149.3936 17.78468 -1.129272      28.89008 
1 1 1 14  10 42 o 116.6929 18.02995 438.2597       119.4198 431.1775       195.1926 442.4965       150.9716 107.9907 29.83239 114.0193 23.36299 -6.028641      37.89196 
1 1 1 14  10 43 o 228.0150 10.68939 1573.203       142.5464 1613.541       231.2259 1548.474       181.0412 225.0551 17.65987 223.8820 13.85611 1.173111       22.44688 
1 1 1 14  10 44 o 79.98813 28.07492 226.7101       162.9663 -130.6825      385.1797 304.6348       179.8573 71.74009 34.03199 90.23419 29.51467 -18.49410      45.04767 
1 1 1 14  10 45 o 66.43517 25.33891 135.1933       137.0985 171.6209       208.5204 107.4558       181.9563 74.83997 30.39306 66.99397 27.91707 7.846008       41.26864 
1 1 1 14  10 46 o 92.92730 25.58383 314.0763       143.8298 486.1875       223.4309 192.2859       187.9512 109.7548 32.44870 75.68343 29.45570 34.07132       43.82415 
1 1 1 14  11 0  o 510.0060 19.06732 7671.783       569.3115 7671.783       569.3115 0.000000       0.000000 510.0060 19.06732 ?        ?        0.000000       19.06732 
1 1 1 14  11 1  o 465.4032 13.49306 6371.059       367.9016 6379.708       493.3446 6360.223       552.1984 465.1482 18.11924 464.1048 20.33688 1.043396       27.23776 
1 1 1 14  11 2  o 497.5040 14.09641 7281.612       410.8824 7377.046       555.6562 7166.471       610.3362 500.0990 18.97967 492.5444 21.17821 7.554596       28.43843 
1 1 1 14  11 3  o 233.2375 14.55407 1605.624       198.0905 1518.753       241.0179 1786.463       347.7438 226.3735 18.31018 244.6973 24.56332 -18.32379      30.63689 
1 1 1 14  11 4  o 662.1346 16.75872 12910.49       650.2621 13268.20       914.5723 12544.79       924.7310 669.9422 23.31270 651.1823 24.25616 18.75989       33.64288 
1 1 1 14  11 5  o 293.4885 13.50931 2537.160       231.9040 2607.738       290.8348 2413.946       384.2739 297.1989 16.75370 284.9946 23.19105 12.20435       28.60964 
1 1 1 14  11 6  o 176.1279 19.94895 926.0192       202.4384 926.0192       202.4384 0.000000       0.000000 176.1279 19.94895 ?        ?        0.000000       19.94895 
1 1 1 14  11 7  o 573.6528 13.51470 9674.722       454.6803 9674.722       454.6803 0.000000       0.000000 573.6528 13.51470 ?        ?        0.000000       13.51470 
1 1 1 14  11 8  o 524.0831 13.00214 8074.623       399.6367 8074.623       399.6367 0.000000       0.000000 524.0831 13.00214 ?        ?        0.000000       13.00214 
1 1 1 14  11 9  o 165.8597 20.43293 824.1208       194.5602 824.1208       194.5602 0.000000       0.000000 165.8597 20.43293 ?        ?        0.000000       20.43293 
1 1 1 14  11 10 f 196.7169 23.06627 1160.486       261.0664 1160.486       261.0664 0.000000       0.000000 196.7169 23.06627 ?        ?        0.000000       23.06627 
1 1 1 14  11 11 o 546.8167 12.64795 8794.367       405.6134 8794.367       405.6134 0.000000       0.000000 546.8167 12.64795 ?        ?        0.000000       12.64795 
1 1 1 14  11 12 o 173.2098 19.79087 897.9874       197.4383 897.9874       197.4383 0.000000       0.000000 173.2098 19.79087 ?        ?        0.000000       19.79087 
1 1 1 14  11 13 o 551.1530 16.29786 8967.379       526.2304 8967.379       526.2304 0.000000       0.000000 551.1530 16.29786 ?        ?        0.000000       16.29786 
1 1 1 14  11 14 o 225.1817 11.68034 1495.779       153.7277 1745.492       195.0876 1086.734       249.6861 243.0409 13.74272 189.9999 22.86645 53.04103       26.67840 
1 1 1 14  11 15 o 539.5844 11.05824 8565.385       349.9419 8074.369       472.2692 9163.218       521.1133 522.8696 15.41772 556.8955 15.97191 -34.02588      22.19928 
1 1 1 14  11 16 o 291.3501 10.75204 2500.925       183.4049 2395.865       272.1503 2588.337       248.2426 284.2626 16.39399 295.8674 14.34913 -11.60480      21.78670 
1 1 1 14  11 17 o 811.7911 14.39049 19452.67       685.1257 19740.41       996.6154 19194.83       943.4014 814.5584 20.87916 803.9260 20.00921 10.63245       28.91899 
1 1 1 14  11 18 o 72.68869 24.29577 149.6968       121.6739 103.3049       220.2682 170.0688       145.9644 79.02561 31.53492 78.07032 26.61025 0.9552917      41.26205 
1 1 1 14  11 19 o 312.5381 9.518449 2876.634       174.2662 2696.456       268.3090 3008.101       229.1881 301.5705 15.21956 319.1614 12.26706 -17.59088      19.54778 
1 1 1 14  11 20 o 71.34943 23.32220 147.4072       112.3116 -11.20739      211.5764 209.6374       132.5246 67.71942 29.22441 83.09473 25.09195 -15.37531      38.51847 
1 1 1 14  11 21 o 666.5753 10.36365 13089.30       405.1469 13384.17       707.2723 12945.29       494.2780 670.7161 17.99658 662.1262 12.72858 8.589844       22.04300 
1 1 1 14  11 22 f 73.89164 22.35307 165.1011       105.1055 365.7101       207.5231 95.88636       121.8963 107.9980 31.08871 64.31286 24.03265 43.68513       39.29474 
1 1 1 14  11 23 o 312.1585 8.356507 2868.499       152.8480 2719.612       256.7307 2950.250       190.2379 302.7589 14.50089 316.2683 10.26992 -13.50943      17.76928 
1 1 1 14  11 24 o 624.2849 9.935127 11479.38       363.7531 11518.05       622.1754 11459.30       448.3652 622.4245 17.06025 623.0120 12.27114 -0.5875244     21.01507 
1 1 1 14  11 25 o 90.52877 22.21043 255.1416       117.0188 393.7790       232.5746 208.1483       135.4068 112.0500 33.10051 82.88479 25.43123 29.16526       41.74196 
1 1 1 14  11 26 o 339.8382 8.902267 3400.979       177.2757 3635.216       320.7497 3297.958       212.7173 349.8247 15.67363 334.3011 10.86405 15.52356       19.07067 
1 1 1 14  11 27 o 357.0173 8.631113 3750.808       180.7202 3877.321       314.2943 3688.319       220.8885 361.4509 14.85811 353.5464 10.66530 7.904510       18.28967 
1 1 1 14  11 28 o 81.17266 24.24483 201.9452       124.2298 233.0447       236.7326 190.1262       145.9390 93.08501 33.70879 80.55452 26.59875 12.53049       42.93921 
1 1 1 14  11 29 o 497.1380 9.231120 7282.374       269.1422 7125.923       442.4975 7374.237       339.0737 489.4221 15.43548 499.5759 11.57290 -10.15381      19.29212 
1 1 1 14  11 30 o 172.0196 12.87745 881.7309       128.9718 623.8036       224.8262 1008.239       157.4556 140.0434 28.34760 183.5759 14.74888 -43.53250      31.95490 
1 1 1 14  11 31 o 285.6989 9.256579 2410.407       154.8945 2169.023       258.1081 2546.266       193.6390 268.9552 16.44188 293.1544 11.28386 -24.19919      19.94144 
1 1 1 14  11 32 o 142.7469 14.08344 612.0595       116.3690 553.8028       196.6106 643.4721       144.3730 131.9685 26.32650 145.5630 17.24628 -13.59447      31.47251 
1 1 1 14  11 33 o 138.6853 15.59035 582.3293       124.6115 761.9694       243.4339 518.5441       145.0572 154.2352 27.94055 129.5452 19.71358 24.68999       34.19502 
1 1 1 14  11 34 f 110.1258 18.88184 377.1608       117.5634 380.5016       202.7227 375.4680       144.3077 107.4446 30.66316 108.4443 23.37900 -0.9996109     38.55914 
1 1 1 14  11 35 o 56.59711 22.57849 58.65885       112.8848 -178.1560      202.4427 165.5186       135.9893 53.63654 25.20809 74.49697 25.67583 -20.86043      35.98188 
1 1 1 14  11 36 o 85.94939 22.20399 239.9902       112.7133 201.6144       180.0807 264.7072       144.5228 81.72182 29.42585 89.55955 25.99332 -7.837723      39.26237 
1 1 1 14  11 37 o 126.3292 15.28329 491.4248       110.9333 294.6564       175.2400 623.0060       143.3020 93.28540 28.98490 141.3838 17.66685 -48.09839      33.94469 
1 1 1 14  11 38 o 68.98443 23.07710 148.5302       109.7704 -67.92447      175.7612 286.9505       140.5528 54.74919 24.92202 92.32456 25.24002 -37.57537      35.47063 
1 1 1 14  11 39 o 50.96000 21.05025 36.82888       102.1883 197.9877       176.0883 -45.00543      125.4791 79.34312 29.02136 47.09797 21.28699 32.24515       35.99132 
1 1 1 14  11 40 o 48.64432 20.97139 8.798168       108.7372 -426.6400      184.6963 239.7881       134.5214 39.55198 19.72554 83.73723 25.27905 -44.18525      32.06442 
1 1 1 14  11 41 o 53.11503 22.50292 30.91670       121.3216 378.0619       198.2629 -176.8820      153.3936 101.1748 30.72020 43.54177 20.87990 57.63302       37.14433 
1 1 1 14  11 42 o 45.88260 20.79593 -40.93961      120.7623 -41.67368      189.1197 -40.43422      156.9195 57.08539 25.93312 52.35533 23.72005 4.730061       35.14495 
1 1 1 14  11 43 o 66.16968 24.18540 136.7913       122.2598 362.1644       195.1025 -8.931678      156.8830 97.54067 30.62544 54.45946 24.26967 43.08121       39.07601 
1 1 1 14  11 44 o 73.02834 24.65151 182.4684       125.2413 345.3630       205.2302 85.81034       158.0910 94.37727 31.55404 62.94012 26.10750 31.43715       40.95435 
1 1 1 14  11 45 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  11 46 o 105.1316 23.39617 388.6885       140.5379 505.2939       225.1556 314.2621       179.8817 111.6713 32.45372 90.34518 29.51454 21.32615       43.86744 
1 1 1 14  12 0  o 555.6877 21.16880 9120.795       688.6249 0.000000       0.000000 9120.795       688.6249 ?        ?        555.6877 21.16880 0.000000       21.16880 
1 1 1 14  12 1  o 602.8590 15.42718 10697.59       544.9991 10582.07       744.9192 10830.64       799.4581 598.5844 21.25314 605.3114 22.55936 -6.726990      30.99388 
1 1 1 14  12 2  o 476.3518 13.52704 6675.324       377.5209 6710.974       503.6579 6629.610       570.3262 477.0298 18.03526 473.7188 20.57735 3.311005       27.36235 
1 1 1 14  12 3  f 548.0981 14.41725 8839.791       463.0352 8932.384       638.3555 8736.981       672.6511 550.1203 19.81822 543.8198 21.13059 6.300537       28.97005 
1 1 1 14  12 4  o 363.5330 12.52530 3888.246       266.6449 3836.305       338.8315 3972.740       432.1555 360.7070 16.05716 366.5045 20.18320 -5.797485      25.79135 
1 1 1 14  12 5  o 326.3831 12.78813 3135.784       244.3114 3259.877       308.6977 2927.762       399.6819 332.4483 15.87874 314.1738 21.82745 18.27451       26.99207 
1 1 1 14  12 6  o 49.42138 22.83397 -126.1733      155.1678 -126.1733      155.1678 0.000000       0.000000 49.42138 22.83397 ?        ?        0.000000       22.83397 
1 1 1 14  12 7  o 395.1697 12.43502 4594.835       287.8324 4594.835       287.8324 0.000000       0.000000 395.1697 12.43502 ?        ?        0.000000       12.43502 
1 1 1 14  12 8  o 279.9848 13.13562 2310.403       215.0914 2310.403       215.0914 0.000000       0.000000 279.9848 13.13562 ?        ?        0.000000       13.13562 
1 1 1 14  12 9  o 545.5438 20.46419 8804.740       653.5881 8804.740       653.5881 0.000000       0.000000 545.5438 20.46419 ?        ?        0.000000       20.46419 
1 1 1 14  12 10 o 390.0178 11.99162 4477.008       273.9660 4477.008       273.9660 0.000000       0.000000 390.0178 11.99162 ?        ?        0.000000       11.99162 
1 1 1 14  12 11 f 260.3196 19.98750 2014.948       302.8174 2014.948       302.8174 0.000000       0.000000 260.3196 19.98750 ?        ?        0.000000       19.98750 
1 1 1 14  12 12 o 262.9669 18.78805 2053.774       287.8476 2053.774       287.8476 0.000000       0.000000 262.9669 18.78805 ?        ?        0.000000       18.78805 
1 1 1 14  12 13 o 367.2083 10.92954 3968.954       235.1156 3517.904       320.1791 4496.817       346.3705 344.9586 15.86867 390.2291 15.16345 -45.27045      21.94869 
1 1 1 14  12 14 o 309.9000 16.29458 2843.588       295.1119 2843.588       295.1119 0.000000       0.000000 309.9000 16.29458 ?        ?        0.000000       16.29458 
1 1 1 14  12 15 o 232.1431 10.61830 1588.699       144.1816 1506.744       186.6023 1710.115       227.1253 225.5871 14.17600 240.0451 16.22865 -14.45804      21.54827 
1 1 1 14  12 16 o 594.5821 11.43218 10409.59       398.6498 11063.25       619.0065 9946.347       521.1024 611.1141 17.28857 580.0525 15.33155 31.06165       23.10738 
1 1 1 14  12 17 o 84.55682 24.55721 218.4602       128.9566 355.3010       213.2758 139.6005       161.9055 107.2795 31.69906 75.64181 27.80171 31.63773       42.16356 
1 1 1 14  12 18 o 77.32673 23.20848 180.7783       113.6276 295.2404       213.1271 135.3229       134.3077 99.47740 32.09852 71.77049 25.46082 27.70691       40.97034 
1 1 1 14  12 19 o 61.27293 23.28563 80.74940       115.5178 -41.57102      203.6195 138.8037       140.2772 64.14017 28.15741 72.88827 26.00345 -8.748093      38.32778 
1 1 1 14  12 20 o 189.6636 10.81016 1063.448       119.7469 1017.161       218.0589 1083.434       143.2852 183.5123 20.61706 191.1259 12.85777 -7.613678      24.29785 
1 1 1 14  12 21 o 226.9131 9.893437 1519.220       131.3446 1329.073       227.1999 1614.665       160.9685 210.5164 18.59321 233.6504 11.78497 -23.13394      22.01347 
1 1 1 14  12 22 o 324.4814 8.426291 3099.475       160.2172 2996.099       281.6413 3148.934       194.8101 317.6405 15.16232 326.7723 10.17760 -9.131744      18.26143 
1 1 1 14  12 23 o 253.0272 8.838953 1886.341       130.9637 1934.761       239.8137 1865.763       156.3343 254.8683 16.12650 251.3757 10.62825 3.492645       19.31382 
1 1 1 14  12 24 o 202.6183 10.32078 1212.714       122.2387 1422.261       246.4323 1144.329       140.7787 217.5484 19.52220 196.5050 12.27688 21.04340       23.06162 
1 1 1 14  12 25 o 75.86800 24.30883 170.0379       122.3838 57.54695       241.3948 208.9551       141.9842 77.39580 32.19556 83.36253 26.11903 -5.966728      41.45790 
1 1 1 14  12 26 o 199.2742 11.78302 1175.888       137.0930 722.5392       242.9177 1387.763       166.0668 151.9996 28.29081 216.2962 13.15350 -64.29659      31.19911 
1 1 1 14  12 27 o 117.0493 18.10125 417.2893       120.2532 392.3430       227.6790 426.9408       141.6179 111.5227 32.69869 117.6564 21.30783 -6.133720      39.02855 
1 1 1 14  12 28 o 219.9402 10.80091 1430.822       138.8945 1402.446       261.3553 1441.991       163.9655 215.2014 20.97372 220.4303 12.73750 -5.228928      24.53856 
1 1 1 14  12 29 o 165.6275 13.28354 818.0574       127.9508 568.3856       249.8554 906.8070       148.9660 132.5833 32.40984 174.1151 14.72612 -41.53181      35.59854 
1 1 1 14  12 30 o 75.31232 23.63285 171.8761       116.1961 122.7738       216.5373 191.7328       137.7008 79.16129 31.37140 79.84702 25.80399 -0.6857224     40.62032 
1 1 1 14  12 31 o 159.6834 13.52806 762.8516       125.5000 220.0685       229.2071 995.2510       149.9797 90.06957 33.08345 182.3865 14.13150 -92.31689      35.97518 
1 1 1 14  12 32 o 208.3563 10.60925 1287.510       129.2140 1547.464       242.5974 1184.557       152.6721 226.0200 18.46230 199.2237 13.14014 26.79630       22.66097 
1 1 1 14  12 33 o 220.9305 10.20284 1447.615       131.8419 1404.131       224.7597 1470.426       162.7911 215.0494 17.98547 222.0305 12.55278 -6.981140      21.93284 
1 1 1 14  12 34 o 49.03036 21.21665 -5.325637      112.1150 -131.9362      194.5952 57.58431       137.1693 55.12334 25.50453 60.64176 24.64195 -5.518421      35.46416 
1 1 1 14  12 35 o 53.83331 21.91291 43.90142       108.6897 -33.83039      180.8425 87.85815       135.9921 58.91368 26.16764 63.67547 24.97586 -4.761791      36.17373 
1 1 1 14  12 36 o 190.2086 12.01484 1087.582       133.3441 627.7532       209.7082 1399.683       172.7684 137.3151 27.00309 215.0769 13.76915 -77.76184      30.31099 
1 1 1 14  12 37 o 88.46347 21.91084 256.5612       113.0800 137.7165       184.5240 328.0348       143.0988 73.93562 29.06519 99.08575 24.71002 -25.15013      38.14931 
1 1 1 14  12 38 o 42.94906 19.53773 -51.02635      107.7982 -260.0535      179.8665 66.13770       134.6624 44.99210 21.82831 59.91088 24.38941 -14.91879      32.73100 
1 1 1 14  12 39 o 46.59152 20.14532 3.145241       100.9185 88.97638       175.6740 -39.13166      123.2925 67.03925 27.63699 47.05956 21.20049 19.97969       34.83194 
1 1 1 14  12 40 o 121.6453 16.14828 465.0626       112.3622 422.5753       186.5681 489.2446       140.7516 108.5551 28.82433 122.5775 20.28814 -14.02247      35.24841 
1 1 1 14  12 41 o 89.55370 22.19514 271.4559       115.9785 289.8914       191.0174 260.6914       145.9623 89.62282 30.44297 86.23447 26.39350 3.388351       40.29133 
1 1 1 14  12 42 o 76.56474 23.95583 201.0258       119.4820 322.9231       205.6008 138.8663       146.8188 92.67525 31.58200 68.44349 26.19304 24.23177       41.03046 
1 1 1 14  12 43 f 142.9891 15.80994 646.2949       130.3699 571.7560       222.4767 685.2766       160.8879 122.4731 30.96198 144.7245 19.44703 -22.25134      36.56270 
1 1 1 14  12 44 o 51.81075 22.50857 16.57797       127.2044 76.62875       218.1177 -14.37276      156.5911 67.82099 29.46903 53.67297 24.05946 14.14802       38.04316 
1 1 1 14  12 45 o 79.76729 26.22952 229.3668       141.9678 261.4273       223.6291 207.7230       183.7422 83.83284 32.26425 77.29449 29.36916 6.538353       43.62946 
1 1 1 14  12 46 o 58.63201 25.24179 49.52641       157.1041 108.0756       291.3246 25.51687       186.5557 74.29823 33.09396 60.09943 26.64234 14.19880       42.48558 
1 1 1 14  13 0  o 775.0157 18.55770 17699.65       843.5000 17145.50       1152.000 18340.11       1238.466 760.6155 25.86240 786.3618 26.89372 -25.74628      37.31134 
1 1 1 14  13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  13 2  o 236.0587 11.78507 1641.385       162.6399 1552.168       193.8966 1853.152       298.7267 229.2659 14.49469 249.7907 20.57364 -20.52477      25.16685 
1 1 1 14  13 3  o 654.4116 23.59894 12678.18       904.2373 0.000000       0.000000 12678.18       904.2373 ?        ?        654.4116 23.59894 0.000000       23.59894 
1 1 1 14  13 4  o 50.01600 21.84274 -25.44023      121.1239 -54.80339      135.9755 87.38007       266.5341 50.63463 22.57800 84.43995 34.33589 -33.80532      41.09403 
1 1 1 14  13 5  o 341.4753 10.36701 3428.334       207.3768 3437.568       242.7165 3403.368       399.0956 341.7699 12.12841 338.9895 20.16542 2.780426       23.53173 
1 1 1 14  13 6  o 624.8250 12.04570 11476.03       441.4088 11497.05       516.7719 11419.32       848.8609 625.1170 14.09571 620.7784 23.35741 4.338623       27.28109 
1 1 1 14  13 7  o 341.8338 15.89414 3449.137       317.7693 3449.137       317.7693 0.000000       0.000000 341.8338 15.89414 ?        ?        0.000000       15.89414 
1 1 1 14  13 8  o 662.3613 14.54851 12915.78       565.1504 12915.78       565.1504 0.000000       0.000000 662.3613 14.54851 ?        ?        0.000000       14.54851 
1 1 1 14  13 9  o 465.3155 12.44078 6373.086       339.1999 6373.086       339.1999 0.000000       0.000000 465.3155 12.44078 ?        ?        0.000000       12.44078 
1 1 1 14  13 10 o 653.3494 14.20604 12570.63       544.3386 12570.63       544.3386 0.000000       0.000000 653.3494 14.20604 ?        ?        0.000000       14.20604 
1 1 1 14  13 11 o 204.7286 23.40652 1259.809       275.9935 1259.809       275.9935 0.000000       0.000000 204.7286 23.40652 ?        ?        0.000000       23.40652 
1 1 1 14  13 12 o 268.5460 18.17651 2141.337       284.5858 2141.337       284.5858 0.000000       0.000000 268.5460 18.17651 ?        ?        0.000000       18.17651 
1 1 1 14  13 13 o 320.1415 11.18796 3019.063       209.7371 2749.208       300.1688 3276.501       293.1808 304.5847 16.86967 332.9318 15.05410 -28.34714      22.60999 
1 1 1 14  13 14 o 287.8664 9.360538 2438.693       157.8209 2548.518       204.3616 2276.410       248.4183 293.9677 11.87803 277.2646 15.33677 16.70313       19.39855 
1 1 1 14  13 15 o 411.6428 8.826118 4981.096       213.0790 4701.251       264.7674 5495.515       358.9752 399.4402 11.31358 431.3082 14.21083 -31.86798      18.16438 
1 1 1 14  13 16 o 279.2437 9.084377 2295.381       148.5767 2288.579       202.1655 2303.369       219.0920 278.3672 12.41459 279.0992 13.42433 -0.7319641     18.28482 
1 1 1 14  13 17 f 364.8963 10.34663 3922.691       221.1975 4262.806       430.2406 3800.490       257.8916 378.2096 19.46217 358.8222 12.27290 19.38739       23.00870 
1 1 1 14  13 18 o 156.6509 14.65258 731.7236       133.0542 1248.762       250.1242 527.6749       157.1307 203.5428 21.26659 131.4583 21.09412 72.08458       29.95379 
1 1 1 14  13 19 o 231.9846 9.711516 1587.069       131.8363 1800.910       258.7632 1512.100       153.2128 245.5080 18.09881 226.1555 11.59013 19.35248       21.49182 
1 1 1 14  13 20 o 235.8547 9.379376 1640.048       129.4798 1601.533       246.9707 1654.647       152.0518 231.3046 18.35627 236.6678 10.98469 -5.363220      21.39196 
1 1 1 14  13 21 o 153.6201 12.06028 700.7835       107.7860 787.5833       219.0007 673.0365       123.8211 160.1622 24.05778 150.1559 14.23035 10.00632       27.95138 
1 1 1 14  13 22 o 248.0657 8.931848 1813.398       129.7326 1710.962       237.4870 1856.969       154.8846 239.3873 17.02678 250.7897 10.55407 -11.40239      20.03246 
1 1 1 14  13 23 o 36.78398 17.44984 -121.9726      101.2759 -473.0364      236.6897 -43.29292      112.0515 48.58895 23.88286 45.87212 20.47233 2.716827       31.45643 
1 1 1 14  13 24 o 283.4281 9.165720 2366.927       152.1558 2360.713       285.1334 2369.400       179.9132 281.3275 17.36631 283.3058 10.84826 -1.978363      20.47617 
1 1 1 14  13 25 f 478.3571 9.331297 6736.554       261.7850 6660.435       444.2434 6777.049       324.0207 473.5752 16.01795 479.2968 11.52703 -5.721680      19.73442 
1 1 1 14  13 26 f 40.00822 18.94926 -138.3049      118.5173 -321.3404      225.1647 -68.16071      139.3889 52.13628 25.07799 49.84049 22.48963 2.295788       33.68515 
1 1 1 14  13 27 o 80.21098 24.17219 196.6207       123.0765 457.1096       247.5257 111.0668       141.8553 119.5575 33.80355 68.99818 25.89631 50.55933       42.58284 
1 1 1 14  13 28 f 468.0000 8.991254 6452.224       246.7838 6379.076       413.7780 6492.609       307.4516 463.1073 15.25557 468.8752 11.18070 -5.767853      18.91402 
1 1 1 14  13 29 o 356.6356 8.888970 3748.689       185.9202 4165.133       340.6329 3571.987       221.8857 373.6560 15.57822 347.5182 10.90030 26.13776       19.01308 
1 1 1 14  13 30 o 186.5514 11.10072 1032.864       120.9015 1062.645       230.9475 1021.621       141.8991 186.2440 21.54025 185.0826 13.15846 1.161407       25.24138 
1 1 1 14  13 31 o 199.9299 10.78396 1185.731       125.9784 1470.980       247.1040 1085.552       146.4386 220.1190 19.33766 190.7259 13.17260 29.39302       23.39791 
1 1 1 14  13 32 o 142.0679 15.18381 609.6412       124.5515 679.6422       241.5858 584.2991       145.3589 144.9013 29.43364 138.1147 18.40287 6.786652       34.71318 
1 1 1 14  13 33 o 37.47231 18.05855 -172.9122      118.0597 -212.0219      240.9266 -160.5535      135.4347 58.61097 27.53147 42.12097 20.03824 16.49000       34.05162 
1 1 1 14  13 34 o 116.0755 16.46499 414.5952       108.9448 367.0673       197.7439 435.3088       130.5439 104.8806 30.39470 117.9185 19.56180 -13.03783      36.14557 
1 1 1 14  13 35 o 81.46741 22.06825 214.6388       108.0278 259.3910       188.6816 192.8150       131.7611 89.54710 30.25754 78.02426 25.24354 11.52284       39.40501 
1 1 1 14  13 36 o 48.34216 21.12148 -9.082819      113.3701 40.96798       208.9782 -29.95598      134.9552 68.05020 29.20167 50.68255 22.55288 17.36765       36.89675 
1 1 1 14  13 37 f 202.1172 18.25080 1274.353       214.0110 1102.818       235.9092 2071.758       508.6371 185.3532 22.13898 237.5041 37.78041 -52.15089      43.78920 
1 1 1 14  13 38 o 135.0310 14.57665 561.5046       113.6089 799.3679       201.5829 450.7853       137.5313 156.6564 22.59311 118.0489 20.61475 38.60748       30.58458 
1 1 1 14  13 39 o 140.4843 13.82199 606.9497       112.4073 660.0134       199.1542 582.1419       136.1711 139.5813 25.25788 135.6980 17.51880 3.883270       30.73872 
1 1 1 14  13 40 o 232.7292 9.862369 1625.655       134.3065 1762.581       216.0254 1539.381       171.4750 238.3669 15.53752 224.5102 13.07974 13.85670       20.30995 
1 1 1 14  13 41 o 204.9992 10.94029 1271.580       131.0556 1531.774       231.8160 1149.353       158.8831 219.2983 18.18772 192.8821 14.14378 26.41615       23.03995 
1 1 1 14  13 42 o 70.39251 24.50598 163.4369       124.0151 -45.61011      224.2265 255.5656       148.8547 61.05645 27.92893 84.60630 26.77542 -23.54985      38.69041 
1 1 1 14  13 43 o 89.99984 23.05639 281.7659       122.2306 463.7041       224.5510 205.1594       145.7088 108.1635 32.66210 76.80135 26.57265 31.36217       42.10604 
1 1 1 14  13 44 o 46.45090 20.93192 -27.61566      120.2809 160.5475       204.7955 -126.7011      148.6135 73.59525 30.03323 44.71753 21.19138 28.87772       36.75690 
1 1 1 14  13 45 o 64.63568 24.29223 129.2459       124.9175 203.5510       206.2770 86.21568       156.9742 77.53641 30.65338 62.39550 25.95963 15.14091       40.16879 
1 1 1 14  14 0  o 242.4843 13.59754 1734.724       192.5977 1734.724       192.5977 0.000000       0.000000 242.4843 13.59754 ?        ?        0.000000       13.59754 
1 1 1 14  14 1  o 307.4885 14.06064 2787.212       252.8911 2787.212       252.8911 0.000000       0.000000 307.4885 14.06064 ?        ?        0.000000       14.06064 
1 1 1 14  14 2  o 281.6125 11.38156 2334.301       187.5895 2263.902       226.5731 2487.736       334.4957 277.0580 13.98926 289.6664 19.80906 -12.60837      24.25073 
1 1 1 14  14 3  o 460.7476 12.94227 6247.616       349.3763 6132.012       460.2965 6404.739       536.6249 455.8227 17.24946 465.4138 19.70447 -9.591095      26.18797 
1 1 1 14  14 4  o 461.5505 12.97665 6270.084       350.9144 6224.873       465.3872 6329.664       534.2434 459.2184 17.31103 462.6185 19.73625 -3.400146      26.25246 
1 1 1 14  14 5  o 494.8562 13.58277 7210.227       393.8283 7294.134       532.0488 7108.535       585.7275 496.9115 18.28788 490.0954 20.42289 6.816101       27.41425 
1 1 1 14  14 6  o 413.7721 10.22727 5030.339       248.1828 4965.732       288.6763 5213.392       485.9142 410.7813 11.99542 419.6460 19.79942 -8.864685      23.14966 
1 1 1 14  14 7  o 402.2431 11.63532 4761.178       274.1958 4761.178       274.1958 0.000000       0.000000 402.2431 11.63532 ?        ?        0.000000       11.63532 
1 1 1 14  14 8  o 80.17770 25.76888 186.4846       137.4509 186.4846       137.4509 0.000000       0.000000 80.17770 25.76888 ?        ?        0.000000       25.76888 
1 1 1 14  14 9  o 514.9269 12.43714 7801.606       375.5923 7801.606       375.5923 0.000000       0.000000 514.9269 12.43714 ?        ?        0.000000       12.43714 
1 1 1 14  14 10 f 276.6305 11.97603 2255.702       193.8355 2255.702       193.8355 0.000000       0.000000 276.6305 11.97603 ?        ?        0.000000       11.97603 
1 1 1 14  14 11 o 104.4707 24.59696 337.7093       148.1919 337.7093       148.1919 0.000000       0.000000 104.4707 24.59696 ?        ?        0.000000       24.59696 
1 1 1 14  14 12 o 366.0596 16.35571 3965.652       350.2463 3965.652       350.2463 0.000000       0.000000 366.0596 16.35571 ?        ?        0.000000       16.35571 
1 1 1 14  14 13 o 401.2990 17.07854 4771.183       401.0284 4771.183       401.0284 0.000000       0.000000 401.2990 17.07854 ?        ?        0.000000       17.07854 
1 1 1 14  14 14 o 505.1758 9.307650 7504.098       275.7612 7427.966       353.4824 7622.478       440.7798 502.1503 12.00283 507.8668 14.81446 -5.716522      19.06662 
1 1 1 14  14 15 o 65.53310 23.51834 109.3233       114.9240 223.4933       147.1432 -69.26248      184.0295 86.18599 26.52261 58.78698 26.23619 27.39901       37.30665 
1 1 1 14  14 16 o 392.6562 8.634130 4533.311       198.8298 4323.863       254.3290 4862.544       318.8667 382.9401 11.33686 405.6752 13.42080 -22.73514      17.56822 
1 1 1 14  14 17 o 190.0780 12.61837 1070.552       139.8685 924.8912       253.7015 1134.158       167.6478 173.6851 25.67944 195.3071 14.74514 -21.62202      29.61170 
1 1 1 14  14 18 o 472.5938 7.912761 6566.318       219.3141 6300.205       319.2124 6804.239       301.8310 462.0420 11.78970 480.5626 10.70935 -18.52057      15.92756 
1 1 1 14  14 19 o 247.0402 9.160034 1798.593       132.4837 1494.495       244.6322 1924.797       157.5948 223.2708 18.85852 255.3681 10.54533 -32.09726      21.60666 
1 1 1 14  14 20 o 472.0082 8.709307 6555.500       241.0925 6969.077       437.6473 6375.308       288.8779 484.6701 15.41631 465.0958 10.59062 19.57425       18.70358 
1 1 1 14  14 21 o 275.2646 8.599792 2231.566       138.6614 2073.859       251.2987 2300.600       166.2627 263.8458 16.32001 279.2546 10.16880 -15.40878      19.22881 
1 1 1 14  14 22 o 206.5206 10.01070 1259.306       120.8880 1438.457       253.6500 1206.654       137.5096 218.6339 20.00325 201.8971 11.66285 16.73676       23.15496 
1 1 1 14  14 23 o 189.1327 11.06731 1058.274       122.2242 663.6718       243.9836 1190.478       141.2222 145.1878 29.65707 200.4767 12.06711 -55.28894      32.01807 
1 1 1 14  14 24 o 429.3706 8.984170 5425.719       226.2355 5555.391       416.2776 5371.365       269.5120 432.3375 16.44759 426.7425 10.77728 5.595001       19.66400 
1 1 1 14  14 25 o 212.8102 10.96940 1338.951       136.4450 1435.913       275.3401 1307.389       157.0900 217.8594 21.84415 209.9661 12.81808 7.893311       25.32726 
1 1 1 14  14 26 o 377.9217 8.752051 4204.276       193.9824 4205.139       324.0330 4203.794       242.1720 376.3702 14.70823 377.3348 10.95485 -0.9645996     18.33959 
1 1 1 14  14 27 o 226.2005 10.09413 1511.740       133.5726 1602.081       269.7064 1482.381       153.7528 230.3616 20.16640 223.6883 11.76136 6.673218       23.34552 
1 1 1 14  14 28 o 283.0027 9.162603 2363.115       151.8753 2460.149       287.3542 2325.501       178.9053 286.5741 17.17622 280.3804 10.90067 6.193756       20.34324 
1 1 1 14  14 29 o 239.3767 9.649076 1693.565       135.1846 1735.496       258.7262 1677.819       158.5485 239.8396 18.53747 237.8916 11.39719 1.948074       21.76083 
1 1 1 14  14 30 o 215.7166 9.904289 1377.149       124.9675 1523.726       250.3833 1328.523       144.2140 224.1885 19.22881 211.4880 11.67236 12.70050       22.49425 
1 1 1 14  14 31 f 55.89387 21.94246 59.36438       105.0416 -389.7443      234.4933 172.1054       117.4886 50.51869 24.60373 75.19501 23.78655 -24.67632      34.22197 
1 1 1 14  14 32 o 243.2887 9.542494 1752.366       135.8911 1816.951       270.9021 1730.651       157.0841 244.3276 19.05617 241.3610 11.12717 2.966599       22.06698 
1 1 1 14  14 33 o 196.7477 11.16762 1153.302       128.3316 1316.989       262.7604 1102.027       147.0645 205.7798 22.11929 191.7222 13.15912 14.05762       25.73763 
1 1 1 14  14 34 o 145.1610 13.56783 637.1898       114.1695 863.7665       236.3060 568.1956       130.3987 163.6754 25.44350 135.9407 16.70679 27.73462       30.43828 
1 1 1 14  14 35 o 120.0500 16.81641 447.3926       115.1555 132.5816       215.9576 572.4686       136.1227 77.04056 31.05852 135.7531 17.50440 -58.71259      35.65159 
1 1 1 14  14 36 o 120.4125 16.19360 450.0804       111.4614 376.0070       198.1971 484.3437       134.7973 103.9006 30.52034 123.6674 19.20858 -19.76678      36.06190 
1 1 1 14  14 37 o 104.1813 17.83241 343.8745       105.0406 163.4102       198.7338 413.8340       123.7370 77.46743 30.24909 113.8830 19.20905 -36.41558      35.83288 
1 1 1 14  14 38 o 84.69608 31.28024 233.6207       205.3706 96.68894       224.9944 917.4700       502.8054 72.97623 30.76730 139.5145 49.28480 -66.53825      58.10007 
1 1 1 14  14 39 o 53.50961 22.12223 44.81070       112.9914 103.1205       201.5725 18.09397       136.4432 70.58896 29.39674 54.46085 23.48544 16.12811       37.62624 
1 1 1 14  14 40 o 74.59042 23.31970 186.7865       113.2438 56.67629       208.0568 241.5588       134.9916 66.91585 28.92929 83.54332 25.34506 -16.62747      38.46136 
1 1 1 14  14 41 o 109.7927 19.38958 395.0761       120.2872 835.7059       233.5876 236.0636       140.3229 154.3225 26.77954 82.06973 25.99976 72.25281       37.32468 
1 1 1 14  14 42 o 72.75125 23.94728 180.0915       118.3258 207.1080       208.1221 167.1878       143.8339 79.11612 30.93717 71.60080 26.22272 7.515320       40.55539 
1 1 1 14  14 43 o 76.51446 23.90465 203.8924       119.0178 497.5677       204.9129 54.38222       146.2080 114.2734 30.14567 58.35403 24.71205 55.91934       38.98008 
1 1 1 14  14 44 o 31.35334 15.56035 -236.0707      109.3682 -185.3568      209.6815 -255.0244      128.1867 51.24493 24.53067 34.55193 17.09416 16.69300       29.89923 
1 1 1 14  14 45 o 118.9489 18.61387 466.3697       125.5973 533.4814       131.6222 -216.7659      419.9360 127.7285 18.07520 69.93608 33.79111 57.79243       38.32169 
1 1 1 14  15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  15 1  o 152.3495 13.12471 687.7988       116.1264 565.2354       130.0889 1168.578       257.6514 137.5277 16.45492 197.4329 22.66203 -59.90524      28.00592 
1 1 1 14  15 2  o 544.7026 14.17353 8739.054       452.3959 8961.770       626.5605 8496.490       653.8827 550.5391 19.43597 535.7036 20.85235 14.83545       28.50574 
1 1 1 14  15 3  o 235.0941 11.54908 1628.732       158.7480 1696.978       185.9473 1445.292       304.8610 239.7946 13.27387 219.5224 24.07395 20.27225       27.49092 
1 1 1 14  15 4  o 176.9037 12.85171 925.4699       132.4270 989.8485       150.0165 698.2181       281.8526 182.8342 14.09927 149.9065 32.95850 32.92772       35.84763 
1 1 1 14  15 5  o 568.8739 11.22368 9513.999       374.4570 9472.857       436.1654 9629.322       730.2502 567.3790 13.10773 569.8672 21.89051 -2.488159      25.51484 
1 1 1 14  15 6  o 522.8652 10.70414 8036.190       328.2404 8061.229       384.4146 7968.803       630.6436 523.4462 12.52210 518.5333 20.77960 4.912903       24.26097 
1 1 1 14  15 7  o 294.2409 10.01901 2547.337       172.6411 2566.031       193.7520 2475.302       380.3327 295.1954 11.21183 288.0452 22.69726 7.150146       25.31542 
1 1 1 14  15 8  o 333.1479 11.19156 3267.691       218.3541 3267.691       218.3541 0.000000       0.000000 333.1479 11.19156 ?        ?        0.000000       11.19156 
1 1 1 14  15 9  o 302.3679 17.46382 2709.906       308.3710 2709.906       308.3710 0.000000       0.000000 302.3679 17.46382 ?        ?        0.000000       17.46382 
1 1 1 14  15 10 o 128.0456 34.32088 512.7575       262.9620 512.7575       262.9620 0.000000       0.000000 128.0456 34.32088 ?        ?        0.000000       34.32088 
1 1 1 14  15 11 o 199.9936 23.17321 1205.693       266.7777 1205.693       266.7777 0.000000       0.000000 199.9936 23.17321 ?        ?        0.000000       23.17321 
1 1 1 14  15 12 o 321.3891 15.33260 3057.164       288.1663 3057.164       288.1663 0.000000       0.000000 321.3891 15.33260 ?        ?        0.000000       15.33260 
1 1 1 14  15 13 o 391.3681 8.662037 4502.409       198.8181 4699.508       262.4604 4237.017       304.5548 399.3599 11.21706 378.7203 13.73460 20.63962       17.73307 
1 1 1 14  15 14 o 365.9117 15.12909 3963.707       323.9678 3963.707       323.9678 0.000000       0.000000 365.9117 15.12909 ?        ?        0.000000       15.12909 
1 1 1 14  15 15 o 364.9958 10.62747 3925.954       227.2509 4018.527       364.4183 3867.047       290.6972 367.8912 16.93546 361.6474 13.73076 6.243805       21.80237 
1 1 1 14  15 16 o 325.7403 10.14978 3126.844       193.6637 3286.181       328.4752 3041.945       239.7698 332.5151 16.89923 320.8220 12.76874 11.69312       21.18077 
1 1 1 14  15 17 o 285.5814 9.719125 2403.663       162.5452 2600.637       300.5783 2322.253       193.2377 295.4562 17.42394 280.3651 11.77839 15.09103       21.03151 
1 1 1 14  15 18 o 258.9390 8.393551 1974.239       127.2974 2192.351       195.6967 1814.257       167.6023 272.2621 12.28758 247.7490 11.56693 24.51314       16.87538 
1 1 1 14  15 19 o 120.3040 14.45138 434.3637       99.92349 259.3661       167.1982 531.5950       124.6289 92.13190 28.25770 132.8842 16.33501 -40.75231      32.63940 
1 1 1 14  15 20 o 359.8682 8.226065 3809.383       173.6145 3882.924       316.9325 3777.854       207.5211 361.7325 14.97161 357.9937 9.893567 3.738708       17.94525 
1 1 1 14  15 21 o 353.4803 8.360132 3675.712       173.3121 3726.802       328.2950 3655.972       204.0654 354.1219 15.84757 352.1682 9.890059 1.953644       18.68044 
1 1 1 14  15 22 o 105.0381 16.59524 335.2395       98.83907 267.8831       238.1215 349.2599       108.6399 97.32824 33.95266 106.9682 17.95288 -9.639977      38.40689 
1 1 1 14  15 23 o 269.7389 9.337188 2144.475       147.4874 2405.205       314.0152 2070.677       167.0610 283.4985 18.99603 264.8261 10.77884 18.67236       21.84108 
1 1 1 14  15 24 o 198.5694 11.17451 1166.507       129.6091 1016.417       277.1183 1208.531       146.6356 181.4292 26.85390 201.9154 12.44327 -20.48627      29.59674 
1 1 1 14  15 25 o 114.1267 16.98529 395.3836       110.2276 247.4113       257.5089 428.5790       121.9664 96.38921 35.12021 118.6609 18.09787 -22.27170      39.50901 
1 1 1 14  15 26 o 279.7177 9.033264 2306.726       147.9944 2233.571       286.3691 2333.385       172.8688 273.0782 17.98092 281.0664 10.50563 -7.988220      20.82503 
1 1 1 14  15 27 o 197.1130 11.05300 1150.994       127.2632 924.8907       256.8533 1224.560       146.5111 172.4511 26.22100 203.0814 12.35980 -30.63031      28.98802 
1 1 1 14  15 28 o 298.0650 8.857881 2620.921       154.6711 2729.039       296.7898 2580.607       181.2269 301.8250 16.83322 295.4085 10.47701 6.416534       19.82738 
1 1 1 14  15 29 o 228.0503 9.834540 1538.321       131.2240 1586.241       255.8924 1521.223       152.8522 228.8436 19.24450 226.4070 11.54964 2.436646       22.44427 
1 1 1 14  15 30 o 96.39728 20.04703 290.4922       109.6368 145.5645       245.9504 326.4322       122.4789 84.12663 33.40369 102.0360 21.16192 -17.90936      39.54281 
1 1 1 14  15 31 o 261.0636 9.195002 2015.222       140.5627 2357.195       284.5407 1904.829       161.6661 279.4568 17.44824 253.3750 10.90492 26.08173       20.57567 
1 1 1 14  15 32 o 144.9273 13.76637 632.4055       115.6059 817.1060       255.1202 584.6793       129.6848 159.0027 28.40062 138.5824 16.26548 20.42032       32.72860 
1 1 1 14  15 33 o 44.81999 22.07446 -401.7977      205.5488 -262.9225      231.3663 -921.9648      447.7743 54.36728 25.95507 62.88995 31.25788 -8.522671      40.62907 
1 1 1 14  15 34 o 81.23732 21.78651 213.1744       105.9266 171.9921       222.2768 225.2751       120.4881 81.75893 31.97153 83.26698 23.59854 -1.508049      39.73751 
1 1 1 14  15 35 o 85.81091 21.19209 239.3475       106.0111 237.8871       223.0792 239.7735       120.4851 87.75999 32.56629 85.40881 23.37670 2.351181       40.08782 
1 1 1 14  15 36 o 60.33542 22.08678 100.0870       102.0219 -250.0046      218.1000 198.1496       115.4294 51.82924 24.86545 77.80711 23.40063 -25.97787      34.14499 
1 1 1 14  15 37 o 173.4288 11.74320 908.3378       118.7379 1019.491       233.7963 869.7026       137.8375 176.8775 23.08857 168.6289 14.06548 8.248611       27.03553 
1 1 1 14  15 38 o 39.26857 18.42978 -93.70366      107.5578 -352.2345      202.2773 8.208481       127.0001 44.84682 22.05045 52.02145 22.54591 -7.174629      31.53633 
1 1 1 14  15 39 o 77.11990 30.08111 177.0149       196.3621 156.7048       214.1363 284.3464       492.2636 76.32914 30.87167 97.78182 43.31610 -21.45268      53.19158 
1 1 1 14  15 40 o 191.5215 11.63144 1114.219       130.0316 858.7021       257.3492 1201.816       150.6810 154.4499 29.48606 198.0602 13.04474 -43.61031      32.24273 
1 1 1 14  15 41 o 112.5388 17.70565 408.6311       113.0037 80.51823       208.1890 545.6792       134.5497 68.03803 29.17053 130.0684 18.13051 -62.03039      34.34582 
1 1 1 14  15 42 o 51.37136 21.40371 41.33685       106.9324 -258.2900      208.7205 147.9702       124.5149 48.40997 23.49295 67.81522 24.46194 -19.40526      33.91615 
1 1 1 14  15 43 o 54.02258 25.15358 -89.29206      193.8992 -47.44518      218.5651 -243.9355      420.1603 59.57693 27.37161 69.93176 33.79174 -10.35482      43.48663 
1 1 1 14  15 44 o 68.95254 23.67302 160.8739       115.5661 185.5620       120.9368 -98.71590      392.1554 73.03382 24.21711 72.14919 34.25871 0.8846359      41.95387 
1 1 1 14  16 0  o 932.3854 21.87705 25746.82       1196.285 24316.60       1607.745 27520.87       1790.594 901.4700 30.45364 958.1558 31.90927 -56.68585      44.10925 
1 1 1 14  16 1  o 435.9937 16.47473 5613.788       420.5010 5613.788       420.5010 0.000000       0.000000 435.9937 16.47473 ?        ?        0.000000       16.47473 
1 1 1 14  16 2  o 351.1854 11.33318 3630.158       233.1147 3747.830       303.9211 3461.992       363.3230 356.4058 14.57076 341.9270 18.18332 14.47876       23.30108 
1 1 1 14  16 3  o 545.4448 11.04864 8747.198       353.4354 8954.366       421.3380 8255.293       649.2471 551.5828 13.02475 527.6602 21.02206 23.92255       24.72997 
1 1 1 14  16 4  o 427.1331 12.32612 5372.369       308.4507 5719.744       419.5806 4963.872       454.9993 440.0609 16.28553 409.3668 19.00353 30.69418       25.02704 
1 1 1 14  16 5  o 329.4210 9.770929 3191.908       188.5634 3241.457       220.6983 3057.952       362.8834 331.7933 11.35852 320.9836 19.36684 10.80969       22.45196 
1 1 1 14  16 6  o 108.7453 15.27724 355.4029       94.74989 344.1649       101.2993 433.9773       267.8559 106.7247 16.73389 119.0396 35.61134 -12.31484      39.34705 
1 1 1 14  16 7  o 361.5751 12.65532 3853.675       267.9489 3510.210       350.9110 4333.977       414.9662 344.2486 17.43778 382.3645 18.56025 -38.11591      25.46682 
1 1 1 14  16 8  o 473.7767 11.74321 6606.043       326.2954 6606.043       326.2954 0.000000       0.000000 473.7767 11.74321 ?        ?        0.000000       11.74321 
1 1 1 14  16 9  o 68.65284 21.09249 139.9916       93.10692 139.9916       93.10692 0.000000       0.000000 68.65284 21.09249 ?        ?        0.000000       21.09249 
1 1 1 14  16 10 o 124.2001 34.96476 482.0263       265.4141 482.0263       265.4141 0.000000       0.000000 124.2001 34.96476 ?        ?        0.000000       34.96476 
1 1 1 14  16 11 o 180.4887 12.51238 964.4850       131.6267 964.4850       131.6267 0.000000       0.000000 180.4887 12.51238 ?        ?        0.000000       12.51238 
1 1 1 14  16 12 o 233.5562 19.30228 1629.986       262.0349 1629.986       262.0349 0.000000       0.000000 233.5562 19.30228 ?        ?        0.000000       19.30228 
1 1 1 14  16 13 o 182.8997 11.46062 989.2832       122.3160 969.0124       148.6494 1031.786       215.2464 180.6083 14.14660 185.2216 20.13881 -4.613327      24.61093 
1 1 1 14  16 14 o 121.3961 15.92014 443.4346       110.6161 517.8539       132.4643 271.9768       201.0642 130.9898 17.69506 95.85217 31.19664 35.13767       35.86565 
1 1 1 14  16 15 o 291.6612 8.807902 2504.306       150.4887 2337.257       189.7609 2787.424       247.0411 281.3578 11.52438 306.8749 13.76143 -25.51718      17.94960 
1 1 1 14  16 16 o 194.7865 11.73645 1122.989       133.4526 1323.528       219.0015 1004.538       168.3121 210.3099 17.92637 183.4740 15.79555 26.83595       23.89256 
1 1 1 14  16 17 o 334.8230 7.368550 3295.215       144.6931 3448.429       223.6101 3184.853       189.7803 341.8129 11.16956 328.7149 9.855350 13.09802       14.89587 
1 1 1 14  16 18 o 33.25452 15.95079 -127.6419      89.64448 -57.92263      147.6526 -168.3442      112.8169 52.42366 23.44112 36.79269 17.71128 15.63097       29.37984 
1 1 1 14  16 19 o 149.4424 11.20399 662.3038       97.48186 865.4189       168.9093 560.8648       119.3672 169.8073 17.19767 136.7724 15.13401 33.03487       22.90847 
1 1 1 14  16 20 o 590.4873 8.831850 10261.30       305.8530 10555.20       473.4917 10050.85       400.6574 597.4489 13.51329 583.6096 11.70578 13.83929       17.87832 
1 1 1 14  16 21 o 228.2120 8.763146 1534.789       117.0688 1340.959       206.1334 1627.073       142.2328 211.8628 16.72545 234.7567 10.35623 -22.89395      19.67212 
1 1 1 14  16 22 o 47.46841 20.21089 1.814275       98.70152 -354.0983      271.4462 56.04072       105.9541 58.38903 27.93981 56.03888 22.02606 2.350151       35.57780 
1 1 1 14  16 23 f 226.5148 9.815245 1514.037       130.0817 1400.386       283.6832 1544.296       146.3778 214.8408 22.86559 228.5979 10.95008 -13.75708      25.35230 
1 1 1 14  16 24 o 359.9130 8.641031 3812.201       182.3953 3856.145       337.7096 3794.103       216.7234 360.0650 16.03255 358.6387 10.31453 1.426239       19.06389 
1 1 1 14  16 25 o 186.1096 10.61531 1024.940       115.3844 943.4768       270.1353 1043.120       127.6111 174.1439 27.35022 187.5853 11.65711 -13.44136      29.73083 
1 1 1 14  16 26 o 159.9968 12.15190 761.1904       113.1738 818.7335       255.7721 747.1815       126.2003 161.5117 28.01746 158.2046 13.73767 3.307053       31.20420 
1 1 1 14  16 27 o 205.1955 10.24071 1245.974       122.8496 1417.529       267.4703 1200.106       138.3004 215.7639 21.41964 201.0778 11.77918 14.68616       24.44484 
1 1 1 14  16 28 o 173.6895 11.82138 897.2135       119.7006 624.8179       262.7235 968.5714       134.4683 138.3525 32.86827 180.2822 12.80120 -41.92972      35.27313 
1 1 1 14  16 29 o 60.82737 22.26308 93.23011       103.6505 261.5377       247.7511 57.52118       114.1175 95.71246 34.50801 57.29565 22.75234 38.41681       41.33367 
1 1 1 14  16 30 o 113.0743 17.10833 391.7051       109.9122 407.6395       257.2440 388.1465       121.5675 111.9204 35.16965 111.9593 19.20542 -0.3893280E-01 40.07184 
1 1 1 14  16 31 o 151.2241 13.44385 686.7001       117.9912 544.2358       263.7493 722.3456       131.9291 127.2315 34.48955 154.7789 14.71040 -27.54739      37.49567 
1 1 1 14  16 32 o 53.72073 21.63592 46.58718       104.6868 -396.4042      246.3172 144.2457       115.6517 51.67385 25.17749 69.88533 23.68847 -18.21148      34.56948 
1 1 1 14  16 33 o 98.73492 17.25640 304.2484       96.28876 452.6022       232.5978 273.5667       105.7781 114.6708 32.88337 92.64645 20.05069 22.02435       38.51424 
1 1 1 14  16 34 o 65.57882 21.84450 130.8836       98.37473 152.9850       220.8262 125.4114       109.8804 79.35979 31.60572 65.58407 23.05044 13.77572       39.11834 
1 1 1 14  16 35 o 151.8197 12.33455 696.8852       108.8799 455.7069       224.6330 770.9460       124.4797 113.2843 32.26068 159.2888 13.45044 -46.00452      34.95234 
1 1 1 14  16 36 o 162.4630 11.65621 796.3208       110.3231 946.7834       236.9824 754.6902       124.6545 169.7105 24.51989 157.3245 13.64497 12.38597       28.06083 
1 1 1 14  16 37 o 132.8788 13.72106 541.8522       105.3925 466.3441       226.1285 562.8062       119.1218 112.7656 32.44974 134.7156 15.35084 -21.95002      35.89755 
1 1 1 14  16 38 o 131.5502 15.00091 537.9484       113.6679 455.2282       237.9760 562.3988       129.3808 109.5099 33.73499 133.5604 16.89477 -24.05051      37.72907 
1 1 1 14  16 39 o 108.5494 19.01295 382.5671       116.6310 312.3183       244.2762 403.3099       132.7380 92.41988 34.11792 110.2290 21.30377 -17.80910      40.22292 
1 1 1 14  16 40 o 55.04463 21.77557 70.34894       104.1579 38.08682       221.4391 79.51469       118.0299 66.43315 29.25675 58.11224 23.11877 8.320915       37.28854 
1 1 1 14  16 41 o 65.59751 27.70242 84.20258       182.8931 53.82645       204.9429 203.0188       405.3260 65.34840 28.47770 87.26680 38.94226 -21.91840      48.24395 
1 1 1 14  16 42 o 37.21371 17.51613 -85.96135      98.39896 -90.97557      100.9382 9.953790       441.4664 37.44271 17.65977 80.01724 37.48492 -42.57453      41.43654 
1 1 1 14  16 43 o 38.06938 18.14809 -117.7576      112.2624 -100.6071      117.6539 -292.1258      375.1466 40.33128 19.03551 64.83005 31.46951 -24.49877      36.77881 
1 1 1 14  16 44 o 117.8248 19.83306 463.8007       132.1867 523.8159       142.5829 96.69312       352.6416 125.1431 20.10819 77.56284 35.30463 47.58022       40.62950 
1 1 1 14  17 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  17 1  o 300.4638 17.05485 2674.046       299.2978 0.000000       0.000000 2674.046       299.2978 ?        ?        300.4638 17.05485 0.000000       17.05485 
1 1 1 14  17 2  o 233.2762 10.71070 1603.502       146.1430 1742.980       174.4081 1274.713       267.7756 243.0528 12.27507 206.0560 22.52472 36.99675       25.65230 
1 1 1 14  17 3  o 349.8493 9.595489 3599.910       196.6927 3656.307       235.6124 3470.229       357.2782 352.3618 11.41649 342.2093 17.86366 10.15256       21.20015 
1 1 1 14  17 4  o 186.3556 10.29271 1024.186       112.0554 1061.826       123.7251 852.4140       264.3053 189.6651 11.17243 166.7128 28.02581 22.95232       30.17067 
1 1 1 14  17 5  o 456.3847 9.915691 6123.484       265.4023 6208.581       314.2983 5912.018       495.4592 459.1698 11.68076 446.5249 18.96276 12.64493       22.27165 
1 1 1 14  17 6  o 432.0422 11.50458 5497.120       291.2466 5497.120       291.2466 0.000000       0.000000 432.0422 11.50458 ?        ?        0.000000       11.50458 
1 1 1 14  17 7  o 340.0498 9.197680 3401.424       183.2620 3326.371       210.4121 3637.255       372.9825 336.0903 10.68850 350.0839 18.22906 -13.99359      21.13156 
1 1 1 14  17 8  o 348.2537 11.08477 3572.968       226.1098 3572.968       226.1098 0.000000       0.000000 348.2537 11.08477 ?        ?        0.000000       11.08477 
1 1 1 14  17 9  o 348.1723 11.16047 3572.209       227.5966 3572.209       227.5966 0.000000       0.000000 348.1723 11.16047 ?        ?        0.000000       11.16047 
1 1 1 14  17 10 o 290.6339 13.33234 2496.563       226.6443 2496.563       226.6443 0.000000       0.000000 290.6339 13.33234 ?        ?        0.000000       13.33234 
1 1 1 14  17 11 o 91.62438 33.63411 210.9193       236.8431 210.9193       236.8431 0.000000       0.000000 91.62438 33.63411 ?        ?        0.000000       33.63411 
1 1 1 14  17 12 f 268.8466 10.78636 2131.787       169.7256 2131.787       169.7256 0.000000       0.000000 268.8466 10.78636 ?        ?        0.000000       10.78636 
1 1 1 14  17 13 o 178.2548 15.30901 946.7797       158.4953 539.3956       235.6856 1283.120       214.1510 130.7253 31.18004 207.2025 17.79496 -76.47725      35.90063 
1 1 1 14  17 14 o 369.1277 8.201509 4006.299       177.5501 3949.865       223.8602 4102.000       291.5181 366.0671 10.43781 372.4475 13.36765 -6.380341      16.96000 
1 1 1 14  17 15 o 345.4471 8.115258 3509.126       164.4123 3616.287       216.9427 3364.527       252.0052 350.1834 10.57540 337.3255 12.76126 12.85794       16.57374 
1 1 1 14  17 16 o 57.14322 21.93413 67.07163       103.1637 199.0081       159.7267 -27.35855      135.1297 83.08375 27.83798 52.48365 22.99208 30.60010       36.10525 
1 1 1 14  17 17 o 545.8044 8.244638 8762.687       263.9120 9186.529       415.0923 8475.108       341.9165 557.6710 12.69159 536.1619 10.87361 21.50903       16.71262 
1 1 1 14  17 18 o 123.2615 12.92206 453.7665       92.02657 344.0715       150.5666 519.1822       116.2722 104.8054 24.87174 131.4805 15.36827 -26.67509      29.23675 
1 1 1 14  17 19 o 221.7262 8.104366 1447.933       105.2096 1532.740       187.7642 1409.121       127.0232 227.1422 14.16549 218.4892 9.938967 8.652939       17.30446 
1 1 1 14  17 20 o 210.5587 8.649629 1306.708       106.5849 1211.292       190.6237 1350.106       128.5587 201.3895 16.27810 213.8108 10.28244 -12.42136      19.25370 
1 1 1 14  17 21 o 34.38913 16.26631 -100.5229      86.78536 -361.6826      191.4473 -32.97647      97.36375 44.58613 21.82549 43.28725 19.21516 1.298882       29.07876 
1 1 1 14  17 22 o 303.9134 7.932029 2718.105       141.2581 2723.438       248.4536 2715.559       171.7111 303.0737 14.01600 303.5108 9.658887 -0.4370728     17.02182 
1 1 1 14  17 23 o 152.5167 11.69262 690.5123       103.7899 708.2048       264.1024 687.2808       112.8713 149.4770 31.13866 151.9774 12.78185 -2.500427      33.65994 
1 1 1 14  17 24 o 194.3945 9.919602 1116.597       112.7173 1301.377       272.2638 1078.375       123.8275 206.7525 22.83368 190.8437 11.11146 15.90884       25.39373 
1 1 1 14  17 25 o 217.2929 9.480493 1394.103       120.5259 1432.396       276.7542 1385.140       133.8895 217.0703 22.04461 216.4102 10.58125 0.6601715      24.45255 
1 1 1 14  17 26 o 259.8224 8.559008 1990.719       130.2439 2386.993       279.3091 1880.609       147.2310 282.3196 16.94718 252.2725 9.970918 30.04718       19.66281 
1 1 1 14  17 27 o 146.8902 12.38283 643.6810       105.6827 738.1476       266.0110 625.9761       115.1611 151.4275 30.99800 144.5541 13.74927 6.873367       33.91045 
1 1 1 14  17 28 o 85.80198 20.64436 231.1611       102.6167 291.7060       244.1637 218.1726       113.0894 98.80948 34.38631 83.30910 22.58447 15.50037       41.13972 
1 1 1 14  17 29 o 57.69812 21.60116 78.57912       98.57237 365.4968       254.6453 28.00859       106.9069 107.1975 35.12228 52.08912 21.52507 55.10840       41.19349 
1 1 1 14  17 30 o 239.0606 9.621636 1692.052       134.6230 1774.961       296.2083 1670.468       151.1339 240.5280 21.21539 237.2091 10.89284 3.318954       23.84841 
1 1 1 14  17 31 o 35.54095 16.98202 -128.9333      99.49968 -198.6421      251.4201 -115.9881      108.3452 60.75703 28.40579 38.64611 18.24827 22.11092       33.76223 
1 1 1 14  17 32 o 43.28156 19.26427 -29.84139      98.52855 -308.9994      240.0769 26.70118       108.0471 53.72219 25.85468 51.66105 21.51894 2.061134       33.63821 
1 1 1 14  17 33 o 112.8035 15.14570 391.2062       97.66920 7.254460       223.1846 482.1530       108.6225 67.77217 29.62243 125.4438 15.06566 -57.67162      33.23345 
1 1 1 14  17 34 o 81.48628 20.05389 214.6056       95.17692 -77.31948      218.0138 283.3436       105.7905 60.96287 27.75280 93.89655 19.83353 -32.93368      34.11139 
1 1 1 14  17 35 o 135.8795 12.82279 561.1887       100.9765 606.1365       228.4078 550.2700       112.5750 131.7660 30.20378 133.8620 14.57457 -2.096008      33.53635 
1 1 1 14  17 36 o 161.1545 11.30669 783.3130       106.1852 793.7283       240.7937 780.7986       118.3100 152.2302 28.00236 160.3239 12.68599 -8.093719      30.74194 
1 1 1 14  17 37 o 124.6122 13.58362 477.7840       97.66666 744.7282       232.1967 420.4041       107.6529 146.2515 28.09182 115.6108 16.33161 30.64063       32.49419 
1 1 1 14  17 38 o 72.65008 20.70597 174.7461       92.50002 371.4598       235.4053 138.8273       100.5911 99.34539 33.79476 65.98563 22.09143 33.35976       40.37471 
1 1 1 14  17 39 o 34.87394 16.63117 -108.4815      94.46736 -99.55392      96.45016 -318.9430      468.2978 35.99009 17.06031 73.58688 35.58640 -37.59678      39.46449 
1 1 1 14  17 40 o 50.09026 20.77028 38.95485       100.0124 27.47014       102.3575 281.0132       469.9155 49.08352 20.72612 93.67117 41.85632 -44.58765      46.70678 
1 1 1 14  17 41 o 109.7528 18.36704 393.3977       114.0500 423.5157       117.8947 -45.90339      450.2591 114.0287 18.24381 78.81277 37.21025 35.21594       41.44201 
1 1 1 14  17 42 o 47.24211 23.14864 -315.9546      216.9938 -322.1751      250.8992 -297.4913      432.2538 51.52612 25.17204 69.30083 33.67209 -17.77471      42.04095 
1 1 1 14  17 43 o 43.19719 19.78205 -48.17504      112.9162 -84.80479      120.0034 234.7447       333.5096 41.85745 19.58756 84.37731 36.55247 -42.51986      41.46994 
1 1 1 14  17 44 o 83.21998 23.92421 248.2287       122.9729 278.7283       130.0820 -8.150186      377.1475 87.88911 24.38224 73.88787 34.62423 14.00124       42.34774 
1 1 1 14  18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  18 2  o 513.5367 13.29470 7776.316       400.0694 7842.657       553.1387 7703.543       579.3372 514.4365 18.36322 509.5307 19.42256 4.905853       26.72908 
1 1 1 14  18 3  o 412.6624 9.693466 5006.818       234.5981 5296.861       286.8029 4420.371       407.8185 424.0572 11.54284 386.0711 18.06153 37.98605       21.43493 
1 1 1 14  18 4  o 238.1020 23.63616 1704.989       325.7054 1704.989       325.7054 0.000000       0.000000 238.1020 23.63616 ?        ?        0.000000       23.63616 
1 1 1 14  18 5  o 268.0547 9.067702 2114.572       142.3461 2115.249       163.8790 2112.494       287.2749 267.9409 10.44882 266.4264 18.50018 1.514496       21.24698 
1 1 1 14  18 6  o 320.6773 9.232109 3025.900       173.4472 3145.733       204.5119 2718.859       327.3634 326.7815 10.68550 302.3449 18.55124 24.43655       21.40861 
1 1 1 14  18 7  o 163.1208 10.09731 785.7747       96.12385 828.7203       105.0102 563.7650       238.7582 167.4595 10.74906 134.0492 30.98973 33.41029       32.80100 
1 1 1 14  18 8  o 348.1459 9.576334 3567.753       195.3433 3555.383       225.8186 3604.528       389.3672 347.3151 11.10053 347.9717 19.15328 -0.6565857     22.13752 
1 1 1 14  18 9  o 416.4123 11.31657 5111.053       276.1125 5111.053       276.1125 0.000000       0.000000 416.4123 11.31657 ?        ?        0.000000       11.31657 
1 1 1 14  18 10 o 304.9272 17.03290 2763.362       303.3932 2763.362       303.3932 0.000000       0.000000 304.9272 17.03290 ?        ?        0.000000       17.03290 
1 1 1 14  18 11 o 411.9877 15.39534 5028.480       371.3294 5028.480       371.3294 0.000000       0.000000 411.9877 15.39534 ?        ?        0.000000       15.39534 
1 1 1 14  18 12 o 473.4414 15.39947 6640.863       427.0162 6640.863       427.0162 0.000000       0.000000 473.4414 15.39947 ?        ?        0.000000       15.39947 
1 1 1 14  18 13 o 319.3532 10.27471 3006.775       192.1879 2611.885       269.3980 3416.037       274.2565 296.5716 15.54293 339.7018 13.79472 -43.13022      20.78165 
1 1 1 14  18 14 o 340.1704 8.170320 3403.089       162.9994 3593.893       213.8378 3138.474       251.8245 349.1003 10.45619 325.6552 13.21272 23.44510       16.84956 
1 1 1 14  18 15 o 219.2819 8.915326 1417.356       114.4153 1592.900       147.2436 1149.828       181.7726 232.2088 10.84196 196.2832 15.92718 35.92557       19.26716 
1 1 1 14  18 16 o 377.0905 9.376569 4186.669       207.3672 4506.641       357.3527 4024.223       254.6219 389.5225 15.67480 369.0883 11.77800 20.43423       19.60664 
1 1 1 14  18 17 o 106.4967 14.66447 342.0135       89.16212 475.1139       133.6590 235.2915       119.6839 124.9402 18.82489 86.96537 23.08413 37.97482       29.78680 
1 1 1 14  18 18 o 380.3208 8.037313 4254.260       179.2716 4165.491       246.3308 4354.220       261.3959 375.6398 11.19390 383.9636 11.62140 -8.323792      16.13568 
1 1 1 14  18 19 o 139.4285 11.54708 577.4125       93.57623 307.7357       166.1445 702.7039       113.2465 99.19737 27.56911 153.7244 12.67369 -54.52707      30.34268 
1 1 1 14  18 20 o 140.2605 11.21160 583.8251       91.45878 713.0068       187.7061 543.6088       104.7319 152.9284 21.52326 134.9552 13.40961 17.97319       25.35879 
1 1 1 14  18 21 o 223.8373 8.463972 1476.145       110.9109 1459.931       218.8219 1481.750       128.6622 221.0344 17.01108 224.0819 9.814051 -3.047485      19.63905 
1 1 1 14  18 22 o 34.47177 17.45918 -618.0512      176.8241 -592.0885      192.4196 -759.0189      448.3673 37.76895 19.01680 69.21451 33.77784 -31.44556      38.76314 
1 1 1 14  18 23 o 70.82097 19.84102 154.3082       85.68340 -143.9267      194.0145 226.5702       95.50140 55.33773 25.55514 85.42700 19.49347 -30.08927      32.14126 
1 1 1 14  18 24 o 312.5721 8.380870 2878.140       153.4962 2899.226       312.1003 2871.412       176.2909 311.4634 17.15207 311.9747 9.646774 -0.5112610     19.67876 
1 1 1 14  18 25 o 132.9969 12.03677 527.4028       92.87084 472.2652       267.8465 534.9374       99.01318 120.8580 35.47419 133.8136 12.77134 -12.95556      37.70311 
1 1 1 14  18 26 o 179.4452 9.931638 953.3404       104.1133 1037.875       263.6539 937.7231       113.3230 182.7590 25.27405 177.7872 10.92114 4.971817       27.53269 
1 1 1 14  18 27 o 269.5965 8.589460 2144.806       135.6363 2085.088       281.1971 2162.913       154.8401 262.8867 18.35389 270.4826 9.777065 -7.595917      20.79559 
1 1 1 14  18 28 o 177.0127 10.35988 929.4777       107.0797 974.6241       261.2832 920.3646       117.3906 176.1751 26.07443 175.9189 11.44017 0.2561798      28.47373 
1 1 1 14  18 29 o 72.89781 21.46384 165.0362       97.92689 1.041802       262.0503 191.6550       105.5757 74.29862 32.29204 78.13557 22.07145 -3.836952      39.11425 
1 1 1 14  18 30 o 158.5717 11.62529 750.6804       107.3622 774.2512       248.6687 745.2799       119.0276 154.6876 28.45875 157.6517 12.98867 -2.964081      31.28268 
1 1 1 14  18 31 o 121.9034 13.68097 450.0661       96.12413 442.1745       229.9624 451.7368       105.8115 114.2735 32.67333 121.7029 15.15175 -7.429359      36.01558 
1 1 1 14  18 32 o 162.4957 10.90199 789.7844       103.2947 483.1505       227.1519 869.7224       115.9800 118.4389 31.96538 170.3130 11.68215 -51.87409      34.03319 
1 1 1 14  18 33 f 87.86424 18.19207 245.4381       90.65536 188.2913       206.3045 259.1134       100.9211 81.57033 31.09006 89.83565 19.69884 -8.265320      36.80538 
1 1 1 14  18 34 o 53.07423 20.12452 68.41467       86.16502 106.6456       216.1652 61.19276       93.95156 73.96805 30.59106 53.18361 20.78919 20.78444       36.98653 
1 1 1 14  18 35 o 92.30959 16.25463 268.3087       84.78542 456.6950       232.3009 239.3568       91.06773 112.1223 33.07040 86.25981 18.55265 25.86253       37.91902 
1 1 1 14  18 36 o 95.21358 17.53249 289.4205       94.29593 169.1283       233.6618 312.8223       103.0608 79.75704 32.25193 98.65952 18.49086 -18.90248      37.17659 
1 1 1 14  18 37 o 146.3177 11.94580 651.2549       101.6178 677.0703       103.5976 -4.860734      522.2770 149.2097 11.93816 87.88590 41.04064 61.32377       42.74171 
1 1 1 14  18 38 o 99.20509 17.20426 315.4973       96.47016 327.3312       98.36095 16.53675       494.3852 101.0865 17.20713 86.06277 40.10298 15.02371       43.63868 
1 1 1 14  18 39 o 81.51349 21.28780 224.7811       102.8558 253.6952       105.1961 -403.4521      490.3492 86.80683 20.91241 72.35086 35.31179 14.45597       41.03963 
1 1 1 14  18 40 o 74.87249 22.38844 191.7862       105.8880 193.5466       109.4131 165.7786       420.5398 75.11449 22.82401 86.00595 38.91177 -10.89146      45.11165 
1 1 1 14  18 41 o 51.61457 21.48242 43.16689       107.5564 74.57583       110.8475 -462.3394      444.6951 56.09615 22.37542 66.41769 32.66401 -10.32153      39.59289 
1 1 1 14  18 42 o 49.54150 21.44350 16.37849       114.5861 20.48940       119.7770 -27.98886      393.4921 50.83362 21.96319 74.88621 35.17910 -24.05259      41.47229 
1 1 1 14  18 43 o 85.11277 32.83772 276.5243       232.0565 60.30310       290.2682 659.4676       386.2937 71.84444 32.43297 113.1899 42.67986 -41.34544      53.60474 
1 1 1 14  19 0  o 479.2591 12.51744 6772.866       351.5318 6442.199       470.1782 7191.994       529.3470 466.2484 17.22431 492.3204 18.36556 -26.07205      25.17877 
1 1 1 14  19 1  o 372.7799 18.11229 4126.306       394.7978 4126.306       394.7978 0.000000       0.000000 372.7799 18.11229 ?        ?        0.000000       18.11229 
1 1 1 14  19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  19 3  o 773.7180 13.73804 17661.15       623.3873 17719.73       733.5921 17508.90       1182.567 774.1038 16.15865 763.7333 26.44168 10.37048       30.98813 
1 1 1 14  19 4  o 180.4047 9.475156 959.8024       99.89863 961.9966       111.0126 950.4606       229.0588 180.4912 10.53312 177.2079 22.55015 3.283295       24.88887 
1 1 1 14  19 5  o 209.8073 9.399860 1297.223       115.3688 1328.345       129.4694 1177.240       254.2126 212.1934 10.43564 197.5202 22.33644 14.67320       24.65399 
1 1 1 14  19 6  o 298.6739 9.085042 2625.739       158.9532 2529.893       182.7119 2924.066       322.3479 292.9588 10.65205 313.6256 17.59575 -20.66681      20.56883 
1 1 1 14  19 7  o 206.4580 10.04366 1257.344       121.2465 1295.226       138.1328 1130.197       253.0640 209.3916 11.29006 193.2910 22.75956 16.10059       25.40596 
1 1 1 14  19 8  f 255.1248 8.939211 1916.571       133.5460 1883.476       151.6198 2031.087       282.0417 252.7449 10.25002 260.9048 18.55341 -8.159912      21.19651 
1 1 1 14  19 9  o 149.0168 11.24510 657.9572       97.55111 657.9572       97.55111 0.000000       0.000000 149.0168 11.24510 ?        ?        0.000000       11.24510 
1 1 1 14  19 10 o 210.1791 10.15972 1303.643       124.8630 1303.643       124.8630 0.000000       0.000000 210.1791 10.15972 ?        ?        0.000000       10.15972 
1 1 1 14  19 11 o 480.0393 17.43308 6850.378       489.9814 6850.378       489.9814 0.000000       0.000000 480.0393 17.43308 ?        ?        0.000000       17.43308 
1 1 1 14  19 12 o 99.18179 13.69237 296.1404       77.52293 296.1404       77.52293 0.000000       0.000000 99.18179 13.69237 ?        ?        0.000000       13.69237 
1 1 1 14  19 13 o 373.4725 10.06713 4111.525       220.3021 4147.832       330.5499 4082.510       295.4972 373.9080 15.10486 371.3583 13.59073 2.549652       20.31907 
1 1 1 14  19 14 o 100.6478 13.70128 304.9424       78.77745 402.3841       87.86305 -94.46314      177.8857 115.9614 13.15136 55.62905 25.22385 60.33232       28.44646 
1 1 1 14  19 15 o 149.9632 10.63220 666.2128       92.90369 640.8712       116.3200 710.8574       154.3912 146.5738 13.68990 153.6685 17.43920 -7.094666      22.17068 
1 1 1 14  19 16 o 71.13334 18.21663 156.3787       76.32029 153.7478       95.88575 160.9269       126.0738 71.21047 21.30748 74.62439 24.72545 -3.413918      32.63980 
1 1 1 14  19 17 o 276.7294 8.459870 2255.169       137.1384 2427.344       229.2172 2159.179       171.1493 286.1419 13.69867 270.4037 10.81406 15.73819       17.45272 
1 1 1 14  19 18 o 249.6252 7.777378 1834.114       113.7213 1868.821       174.2270 1808.351       150.1074 251.3610 11.85200 247.5042 10.36409 3.856827       15.74434 
1 1 1 14  19 19 o 188.1435 8.579783 1043.644       94.42165 1127.284       167.8099 1004.896       114.2177 194.5457 14.81923 184.3439 10.60944 10.20181       18.22552 
1 1 1 14  19 20 o 360.3899 7.998396 3819.887       169.0542 3951.926       257.3911 3719.715       224.1902 365.6938 12.01754 355.0446 10.77920 10.64926       16.14350 
1 1 1 14  19 21 o 115.3036 12.71747 397.5235       84.57225 30.39396       173.8044 511.4174       96.80579 64.96428 27.19349 130.9454 12.76748 -65.98114      30.04154 
1 1 1 14  19 22 o 80.12630 17.15223 198.1797       78.16948 213.3294       180.9902 194.7057       86.66989 86.40947 29.62685 79.21275 18.91733 7.196724       35.15133 
1 1 1 14  19 23 o 134.6535 10.29055 537.8524       80.64993 450.9326       182.8760 558.8390       89.86036 119.4675 26.76616 137.1161 11.27402 -17.64862      29.04360 
1 1 1 14  19 24 o 102.3294 13.60891 315.7260       79.64925 92.32813       197.8425 358.9376       87.01216 74.13527 29.78323 109.1560 13.90733 -35.02074      32.87027 
1 1 1 14  19 25 o 71.19134 18.07498 157.6204       75.59055 94.92754       192.3707 169.0680       82.20267 73.46522 29.41836 73.67594 18.92548 -0.2107239     34.98019 
1 1 1 14  19 26 o 131.7417 11.30395 517.2501       86.49466 498.4486       242.2993 519.9958       92.59538 123.4665 32.87833 131.9398 12.10103 -8.473335      35.03455 
1 1 1 14  19 27 o 170.3939 9.442188 859.7327       93.98872 761.8614       231.6210 879.0253       102.8359 155.3127 26.37056 172.1568 10.23136 -16.84407      28.28581 
1 1 1 14  19 28 o 170.0155 10.40448 858.2761       103.2464 392.5541       240.4137 963.5926       114.3258 109.8090 33.92142 180.0805 10.87567 -70.27152      35.62222 
1 1 1 14  19 29 o 131.9050 12.21201 521.4540       93.39871 1008.411       258.0493 448.0452       100.1916 178.7765 25.31933 121.6738 14.31406 57.10265       29.08541 
1 1 1 14  19 30 o 117.7507 13.05489 418.7121       88.64145 -83.53186      241.2745 497.0797       95.30646 65.28711 29.51196 128.4749 12.81989 -63.18782      32.17616 
1 1 1 14  19 31 o 171.9078 9.548441 879.1725       95.88905 769.1595       240.4515 899.9766       104.5633 152.8807 27.84337 173.7318 10.30876 -20.85112      29.69046 
1 1 1 14  19 32 o 190.7204 9.195788 1082.249       102.5546 797.9144       242.8973 1143.931       113.1329 154.8064 27.77414 195.8763 9.880098 -41.06996      29.47913 
1 1 1 14  19 33 o 189.5139 9.573402 1071.421       106.0593 1039.698       236.9323 1079.371       118.6059 179.6662 23.01350 189.8181 10.69743 -10.15193      25.37826 
1 1 1 14  19 34 o 186.1432 10.57337 1039.116       114.9533 1043.192       118.1681 967.2576       496.1951 186.3972 10.85661 147.2581 49.06008 39.13916       50.24697 
1 1 1 14  19 35 o 79.25653 19.11145 204.2579       87.79346 228.0417       89.00935 -648.4888      532.9727 83.99566 18.56351 72.91246 35.83854 11.08320       40.36093 
1 1 1 14  19 36 o 252.0114 10.05839 1905.427       148.3631 1895.214       154.9817 2017.401       513.1614 251.0509 10.54962 225.5883 40.26439 25.46263       41.62350 
1 1 1 14  19 37 o 145.4235 12.28282 645.4212       103.7784 651.8907       105.9002 488.8069       521.0464 146.0626 12.48204 107.6948 46.16000 38.36788       47.81785 
1 1 1 14  19 38 o 96.37633 18.95012 304.1455       103.2914 264.9998       105.9733 1048.315       462.0518 88.98717 20.69765 145.9522 47.27594 -56.96507      51.60821 
1 1 1 14  19 39 o 207.6327 11.64712 1312.771       141.2604 1326.921       147.6078 1158.773       486.9461 208.4292 12.12775 149.2549 48.54704 59.17429       50.03896 
1 1 1 14  19 40 o 133.0057 14.49276 554.2018       111.2239 563.2228       114.5078 403.6570       467.7795 133.8970 14.83022 97.85457 42.82555 36.04242       45.32067 
1 1 1 14  19 41 o 199.2612 11.54155 1213.176       134.2997 1255.407       143.5415 916.5380       380.4301 202.2679 12.15651 138.0174 42.67701 64.25050       44.37463 
1 1 1 14  19 42 o 146.1935 14.94126 674.6938       126.3054 691.4062       133.1718 525.0523       398.4922 147.5251 15.62948 102.9793 41.94305 44.54578       44.76048 
1 1 1 14  19 43 o 53.25265 22.20285 51.01197       115.1822 54.70536       120.3215 10.52630       398.3647 54.39835 22.68759 75.72896 35.51825 -21.33061      42.14585 
1 1 1 14  20 0  o 476.3280 18.20219 6740.380       507.5519 0.000000       0.000000 6740.380       507.5519 ?        ?        476.3280 18.20219 0.000000       18.20219 
1 1 1 14  20 1  o 373.0724 10.90587 4102.017       238.3624 4182.616       322.1730 4004.539       354.3038 375.9690 14.63920 367.4218 16.48419 8.547272       22.04620 
1 1 1 14  20 2  o 419.8535 9.544648 5185.900       235.0218 5156.497       281.0455 5254.279       428.5889 418.2063 11.46954 420.6833 17.40903 -2.476959      20.84765 
1 1 1 14  20 3  o 116.9512 11.96639 407.2896       80.92062 420.9914       89.55037 346.3012       188.9306 118.7506 13.07431 105.4627 29.43185 13.28795       32.20514 
1 1 1 14  20 4  o 530.1422 10.63210 8275.526       330.5687 8160.237       387.4882 8583.769       633.5932 526.0084 12.56074 536.7043 20.16499 -10.69592      23.75708 
1 1 1 14  20 5  o 166.4714 9.917671 818.4782       96.38882 808.2682       105.2149 871.7886       240.4198 165.3012 10.91410 168.7663 25.04925 -3.465118      27.32366 
1 1 1 14  20 6  o 298.8166 9.403763 2629.762       164.5947 2696.711       191.0825 2437.241       324.0309 302.3939 10.79181 285.6087 19.46107 16.78516       22.25301 
1 1 1 14  20 7  o 95.36871 12.47648 272.8062       68.11108 285.3054       71.53677 151.5983       222.7693 97.50565 12.82004 83.86072 32.22097 13.64494       34.67772 
1 1 1 14  20 8  o 79.12071 14.20843 190.5707       63.50761 229.4426       66.09329 -277.2766      229.2935 87.16333 13.35404 54.88603 26.10016 32.27730       29.31806 
1 1 1 14  20 9  o 240.1398 10.11284 1701.202       142.1068 1701.202       142.1068 0.000000       0.000000 240.1398 10.11284 ?        ?        0.000000       10.11284 
1 1 1 14  20 10 o 244.9584 11.68399 1773.916       167.3710 1773.916       167.3710 0.000000       0.000000 244.9584 11.68399 ?        ?        0.000000       11.68399 
1 1 1 14  20 11 o 148.4376 10.50159 652.4835       90.83156 652.4835       90.83156 0.000000       0.000000 148.4376 10.50159 ?        ?        0.000000       10.50159 
1 1 1 14  20 12 o 380.5622 14.70692 4294.903       327.6270 4294.903       327.6270 0.000000       0.000000 380.5622 14.70692 ?        ?        0.000000       14.70692 
1 1 1 14  20 13 o 202.2875 12.93447 1214.104       152.6465 1143.861       236.3695 1264.357       199.9273 194.4404 21.06386 205.6594 16.71985 -11.21906      26.89311 
1 1 1 14  20 14 o 269.6029 7.977575 2139.657       125.9993 2149.477       158.4579 2122.771       207.7822 269.9211 10.02726 267.6263 13.27968 2.294891       16.64019 
1 1 1 14  20 15 o 355.2971 9.115729 3718.660       189.7906 3673.480       290.7231 3752.214       250.5451 352.0135 14.11077 356.3032 12.00706 -4.289703      18.52790 
1 1 1 14  20 16 o 123.8522 9.900087 454.7126       71.31242 495.0745       90.07465 386.9252       116.7323 128.9473 12.05033 112.6150 18.30223 16.33231       21.91306 
1 1 1 14  20 17 o 35.83537 15.62160 -11.46867      61.71350 53.82185       79.75230 -108.9119      97.43028 50.67925 19.32688 36.68882 17.31819 13.99043       25.95087 
1 1 1 14  20 18 o 249.2605 7.202560 1827.772       105.1805 2060.240       170.8913 1686.005       133.4522 264.0935 11.05792 239.0961 9.536188 24.99742       14.60194 
1 1 1 14  20 19 o 149.6989 8.896375 661.8721       77.75336 519.8140       124.4051 752.9355       99.60415 131.3151 16.51838 159.4581 10.71292 -28.14297      19.68815 
1 1 1 14  20 20 o 167.3299 8.038657 825.4949       78.65664 888.7553       146.1730 799.7115       93.31926 172.6126 14.57531 164.4832 9.717142 8.129349       17.51749 
1 1 1 14  20 21 o 118.7949 10.17544 419.0270       70.21057 332.1823       142.1232 447.0635       80.75238 102.9423 23.98714 122.5515 11.36481 -19.60921      26.54321 
1 1 1 14  20 22 o 326.3662 7.283036 3132.612       139.4017 3166.580       225.1767 3111.503       177.5071 327.1558 11.75506 324.8282 9.327420 2.327606       15.00607 
1 1 1 14  20 23 o 107.5574 11.16816 345.3626       69.42429 174.1157       159.2972 385.5148       77.13505 79.14075 27.75864 113.5996 11.74704 -34.45882      30.14191 
1 1 1 14  20 24 f 99.57462 12.29179 297.9772       70.25960 120.8167       167.7830 335.6488       77.36987 73.14196 27.99833 105.6797 12.74003 -32.53777      30.76061 
1 1 1 14  20 25 o 51.46449 17.99265 71.23686       66.89284 -117.7715      185.6336 99.44234       71.71052 55.04220 25.26505 58.07908 18.60760 -3.036880      31.37778 
1 1 1 14  20 26 o 130.4995 10.54046 506.7772       79.98539 391.6067       185.0741 533.2294       88.69653 110.1929 28.44468 133.7181 11.41926 -23.52525      30.65125 
1 1 1 14  20 27 o 138.4631 23.09837 600.0918       180.9673 643.6688       193.0041 283.0573       520.5845 143.2439 23.80968 114.7151 47.46080 28.52880       53.09829 
1 1 1 14  20 28 o 116.8481 12.27821 410.1049       82.88528 407.3420       254.3595 410.4331       87.67048 111.1941 34.97614 116.7226 13.02894 -5.528549      37.32404 
1 1 1 14  20 29 o 48.34933 18.09240 54.91247       69.13299 -52.38924      241.9076 64.45538       72.14170 67.42159 30.08564 50.69931 18.57068 16.72227       35.35556 
1 1 1 14  20 30 o 218.8486 17.20246 1463.108       219.0191 1431.792       247.9914 1574.134       466.9424 215.0498 19.88812 210.9467 39.18544 4.103088       43.94356 
1 1 1 14  20 31 o 87.65154 15.13328 238.5504       74.98228 253.2141       75.83820 -400.1040      500.4936 90.46564 14.80569 79.34937 37.96120 11.11627       40.74630 
1 1 1 14  20 32 o 87.68427 15.52122 240.1729       76.89709 231.9793       77.72342 619.3844       528.7548 85.98781 16.00090 124.2066 49.08564 -38.21877      51.62780 
1 1 1 14  20 33 o 116.2643 12.67526 411.7365       85.02988 409.0918       86.34085 496.8474       489.8032 115.7985 12.93405 114.4783 46.54766 1.320206       48.31123 
1 1 1 14  20 34 o 37.59356 16.52304 -12.04014      70.30481 -17.61316      70.91282 308.7770       538.0326 37.07312 16.43077 104.0390 45.71862 -66.96591      48.58150 
1 1 1 14  20 35 o 181.4427 10.85425 992.1346       114.9741 976.9666       118.0547 1271.437       506.5902 179.8676 11.24758 165.8943 48.81137 13.97327       50.09050 
1 1 1 14  20 36 o 217.7123 10.81350 1429.354       137.6380 1464.259       142.1271 902.8448       552.0007 220.2331 11.03902 131.2974 50.64882 88.93568       51.83786 
1 1 1 14  20 37 o 75.79345 20.52432 191.7635       93.45985 188.5159       95.17572 279.4046       494.4225 75.08405 20.86568 96.13038 42.94603 -21.04633      47.74660 
1 1 1 14  20 38 o 91.34918 19.96927 277.9888       103.9920 281.9866       106.4013 192.6993       491.4573 91.85311 20.29332 90.76606 41.45399 1.087051       46.15466 
1 1 1 14  20 39 o 52.91191 20.99633 64.38155       97.11528 98.46305       99.59089 -595.6934      438.2853 58.37544 21.74084 63.24007 31.34430 -4.864632      38.14616 
1 1 1 14  20 40 f 129.5590 15.36335 530.9269       114.4662 546.7063       118.1599 290.3130       461.4072 131.3151 15.65046 91.81054 41.21584 39.50452       44.08721 
1 1 1 14  20 41 o 43.00619 19.34851 -25.57411      102.3035 -25.26359      105.7153 -30.15305      405.9576 43.73919 19.67423 75.41870 35.52335 -31.67951      40.60769 
1 1 1 14  20 42 o 87.17338 23.70517 270.7972       124.3641 299.0832       130.4422 -11.68033      412.2159 91.46855 24.01488 76.08689 35.82511 15.38166       43.12949 
1 1 1 14  21 0  o 205.8680 7.506703 1247.168       90.48173 1203.448       315.9043 1251.075       94.43834 197.8060 28.01404 206.1594 7.824989 -8.353363      29.08636 
1 1 1 14  21 1  o 179.1783 29.83698 997.3640       302.5177 997.3640       302.5177 0.000000       0.000000 179.1783 29.83698 ?        ?        0.000000       29.83698 
1 1 1 14  21 2  o 102.5939 12.64688 315.1965       74.48604 328.2552       81.94193 253.0762       178.7204 104.5475 13.69296 92.00530 29.36488 12.54224       32.40052 
1 1 1 14  21 3  o 430.8540 9.750898 5464.105       246.3913 5651.367       301.0743 5084.364       428.7402 437.6498 11.74056 413.4591 17.72228 24.19070       21.25842 
1 1 1 14  21 4  o 120.3111 10.94363 429.9688       76.37371 426.1815       81.26594 458.6133       223.4943 119.6609 11.73048 120.4819 31.33785 -0.8209381     33.46140 
1 1 1 14  21 5  o 351.8732 9.341215 3646.247       192.5997 3687.648       227.8970 3542.776       360.2819 353.5757 11.00360 344.8894 17.87294 8.686310       20.98860 
1 1 1 14  21 6  o 37.46348 15.03712 19.57880       50.38400 28.36586       51.57748 -163.7288      235.5746 39.55232 15.41992 61.58256 28.33820 -22.03024      32.26186 
1 1 1 14  21 7  o 278.6438 9.023376 2287.147       147.2638 2284.035       169.4915 2296.731       297.4640 278.2462 10.40480 277.2600 18.39756 0.9862366      21.13599 
1 1 1 14  21 8  o 231.3568 8.914980 1577.434       120.7368 1580.546       136.6048 1566.325       258.1013 231.4240 10.08908 228.4218 19.45133 3.002167       21.91218 
1 1 1 14  21 9  o 233.0112 20.94178 1635.890       283.1315 1635.890       283.1315 0.000000       0.000000 233.0112 20.94178 ?        ?        0.000000       20.94178 
1 1 1 14  21 10 o 87.83015 33.72842 171.9037       244.0130 171.9037       244.0130 0.000000       0.000000 87.83015 33.72842 ?        ?        0.000000       33.72842 
1 1 1 14  21 11 o 404.7923 15.32911 4864.510       363.2573 4864.510       363.2573 0.000000       0.000000 404.7923 15.32911 ?        ?        0.000000       15.32911 
1 1 1 14  21 12 o 320.6852 16.56903 3062.628       310.5642 3062.628       310.5642 0.000000       0.000000 320.6852 16.56903 ?        ?        0.000000       16.56903 
1 1 1 14  21 13 o 137.1637 9.144425 556.3146       73.14062 583.7148       80.08179 418.4938       179.6035 140.4331 9.784502 115.2746 27.03681 25.15852       28.75284 
1 1 1 14  21 14 o 173.5860 8.399302 888.5844       85.25453 961.3282       101.4549 713.7850       157.2695 180.4140 9.623357 153.9053 17.74840 26.50870       20.18947 
1 1 1 14  21 15 o 150.0260 13.86417 671.4661       120.6069 963.8491       292.6891 611.6664       132.3671 175.6691 29.45068 142.6923 16.09785 32.97687       33.56312 
1 1 1 14  21 16 o 143.1705 8.208571 604.9127       68.63528 698.8217       90.20536 475.7942       105.7726 153.6885 10.06320 125.9437 14.58967 27.74486       17.72361 
1 1 1 14  21 17 o 219.8717 7.364979 1422.755       94.83703 1369.538       142.8347 1464.712       126.8273 215.1757 11.35876 222.7972 9.729735 -7.621506      14.95624 
1 1 1 14  21 18 o 169.4693 6.841408 845.4060       67.85681 739.9101       97.10072 946.1027       94.86633 158.0876 10.53315 179.0474 9.063763 -20.95975      13.89601 
1 1 1 14  21 19 o 316.1553 6.995946 2938.098       129.7172 3220.630       205.7623 2751.750       167.1070 330.3195 10.63524 305.5378 9.336604 24.78162       14.15205 
1 1 1 14  21 20 o 333.1913 7.031223 3263.875       137.3963 3433.805       211.8200 3140.446       180.5257 341.0313 10.60353 326.3570 9.441750 14.67432       14.19794 
1 1 1 14  21 21 o 276.6931 6.581038 2250.458       106.7931 2350.651       175.4243 2191.462       134.6109 282.0410 10.62439 272.7025 8.426789 9.338470       13.56055 
1 1 1 14  21 22 o 327.6690 6.865866 3157.430       131.9414 3531.494       222.7592 2955.280       163.7572 345.5908 11.00467 316.5898 8.828302 29.00101       14.10821 
1 1 1 14  21 23 o 73.59169 11.49189 163.9352       47.97829 325.6361       128.3624 137.6762       51.72747 101.8796 22.11876 66.92508 13.64225 34.95457       25.98750 
1 1 1 14  21 24 o 81.26263 10.84424 198.6294       50.39325 38.43493       140.0382 222.4596       54.01155 59.59109 24.63144 86.05804 10.94906 -26.46695      26.95532 
1 1 1 14  21 25 o 61.55074 24.74894 61.34119       136.7382 33.18497       142.3064 400.1577       493.6507 59.34250 24.70548 121.0690 47.55610 -61.72654      53.59052 
1 1 1 14  21 26 o 90.71035 26.76641 260.6544       152.1511 232.3815       160.1949 521.1647       486.2679 86.73739 27.81365 128.3216 47.99049 -41.58418      55.46788 
1 1 1 14  21 27 o 159.0978 9.675556 751.1712       89.85297 749.7926       91.21891 796.1733       521.1671 158.9198 9.835345 147.7880 50.28382 11.13188       51.23668 
1 1 1 14  21 28 o 83.56834 15.59512 216.0974       73.62248 231.5970       74.47498 -449.3199      487.9756 86.68433 15.20348 79.29404 37.81046 7.390297       40.75263 
1 1 1 14  21 29 o 141.4272 20.87243 627.7539       167.9270 635.4094       180.5598 578.7159       456.9831 141.5827 22.49675 126.6745 46.68233 14.90819       51.82031 
1 1 1 14  21 30 o 118.1586 12.78867 423.1517       87.21106 439.7554       88.62156 -86.03043      490.7657 120.4953 12.73297 89.38610 41.04796 31.10921       42.97748 
1 1 1 14  21 31 o 163.6375 10.80924 802.7350       103.1547 785.8852       104.9387 1285.723       561.8313 161.7989 11.12658 171.4317 51.64165 -9.632797      52.82671 
1 1 1 14  21 32 o 219.9463 10.02012 1445.633       128.9134 1456.654       133.4569 1291.996       498.2918 220.6506 10.34178 175.3608 47.35066 45.28983       48.46687 
1 1 1 14  21 33 o 61.25014 27.86044 -64.89141      219.1367 77.27699       239.2245 -806.3572      546.3234 73.37383 31.35934 71.23032 35.24931 2.143509       47.17968 
1 1 1 14  21 34 o 300.8357 9.712437 2706.758       171.1349 2679.628       181.0654 2933.935       523.9548 298.9317 10.34351 288.1618 31.51660 10.76993       33.17054 
1 1 1 14  21 35 f 92.32280 16.78771 272.1375       87.54997 270.3506       88.72979 337.9958       538.6631 91.88190 17.09501 101.6414 45.15305 -9.759468      48.28082 
1 1 1 14  21 36 o 99.07890 16.45515 312.5661       92.26395 316.0936       93.72595 202.1336       524.4130 99.56378 16.63788 94.25330 42.96014 5.310486       46.06944 
1 1 1 14  21 37 o 144.6698 13.16440 645.0089       110.4718 660.8970       113.3009 338.7224       497.4632 146.3557 13.34668 97.60537 43.37418 48.75028       45.38121 
1 1 1 14  21 38 o 58.58826 22.15917 96.17021       104.3129 90.84491       107.4871 182.3624       432.4321 58.14419 22.37082 87.36963 39.50025 -29.22544      45.39519 
1 1 1 14  21 39 o 55.18648 22.21645 68.19109       110.3273 106.4227       113.6405 -558.9417      460.2583 60.82650 23.10040 65.43055 32.37465 -4.604050      39.77118 
1 1 1 14  21 40 o 72.99306 21.63972 183.1738       99.25808 199.6344       101.7525 -140.2578      451.0392 76.02350 21.73296 74.64577 35.79771 1.377731       41.87837 
1 1 1 14  21 41 o 70.35173 21.55051 169.8402       97.28475 168.2987       101.7665 186.1943       331.4709 70.00606 22.13696 81.17966 35.77127 -11.17361      42.06696 
1 1 1 14  21 42 o 86.57837 23.51953 268.1319       122.4970 257.1759       129.7937 357.4362       370.5650 84.14986 24.69282 91.23745 39.01285 -7.087593      46.17075 
1 1 1 14  22 0  o 274.6572 7.917451 2219.914       127.4012 0.000000       0.000000 2219.914       127.4012 ?        ?        274.6572 7.917451 0.000000       7.917451 
1 1 1 14  22 1  f 466.0770 10.19393 6398.671       278.6442 6112.694       464.2256 6559.730       348.3819 453.2438 17.49698 471.1786 12.61858 -17.93481      21.57251 
1 1 1 14  22 2  o 128.8654 9.787677 491.7773       73.41862 0.000000       0.000000 491.7773       73.41862 ?        ?        128.8654 9.787677 0.000000       9.787677 
1 1 1 14  22 3  o 299.9687 8.258764 2648.521       145.1537 0.000000       0.000000 2648.521       145.1537 ?        ?        299.9687 8.258764 0.000000       8.258764 
1 1 1 14  22 4  o 361.3066 7.929346 3838.774       168.0211 4260.007       403.9670 3750.658       184.7608 377.9118 18.28079 357.0164 8.824116 20.89536       20.29908 
1 1 1 14  22 5  o 310.3815 7.578925 2832.302       137.9603 2865.915       358.6077 2826.463       149.4634 309.2676 19.87651 309.8811 8.231404 -0.6134949     21.51352 
1 1 1 14  22 6  o 307.5544 7.676516 2781.215       138.4639 2397.707       345.8480 2854.421       151.1025 282.3683 21.03537 311.3983 8.281147 -29.02997      22.60673 
1 1 1 14  22 7  o 75.31453 13.44933 172.6707       57.22599 243.7953       283.0959 169.6406       58.43228 98.25718 36.64305 74.56059 13.87309 23.69659       39.18132 
1 1 1 14  22 8  f 57.39978 25.28852 -39.55264      165.5964 -62.58810      253.1820 -22.33071      218.9148 70.26045 31.09755 67.83052 29.49749 2.429932       42.86210 
1 1 1 14  22 9  o 349.8563 11.99359 3617.945       245.7235 3217.871       318.8993 4202.612       385.5114 328.7136 16.59559 375.4356 17.55722 -46.72198      24.15925 
1 1 1 14  22 10 o 345.9982 16.92903 3566.661       342.4807 3566.661       342.4807 0.000000       0.000000 345.9982 16.92903 ?        ?        0.000000       16.92903 
1 1 1 14  22 11 o 116.5982 35.43461 428.2471       263.7047 428.2471       263.7047 0.000000       0.000000 116.5982 35.43461 ?        ?        0.000000       35.43461 
1 1 1 14  22 12 o 371.4655 15.75869 4101.254       342.5320 4101.254       342.5320 0.000000       0.000000 371.4655 15.75869 ?        ?        0.000000       15.75869 
1 1 1 14  22 13 o 257.2693 21.21630 1994.688       317.2738 1994.688       317.2738 0.000000       0.000000 257.2693 21.21630 ?        ?        0.000000       21.21630 
1 1 1 14  22 14 o 363.1684 16.94059 3927.672       359.8229 3927.672       359.8229 0.000000       0.000000 363.1684 16.94059 ?        ?        0.000000       16.94059 
1 1 1 14  22 15 o 307.0740 9.356071 2778.887       168.2984 2877.865       356.0299 2750.406       190.9837 309.8978 19.69107 305.2641 10.68416 4.633728       22.40289 
1 1 1 14  22 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  22 17 o 436.6929 13.22948 5644.174       338.4296 5126.304       413.4955 6695.025       589.0209 414.8927 17.02976 472.2361 21.32273 -57.34338      27.28867 
1 1 1 14  22 18 o 92.40060 34.66710 211.1318       254.1682 345.5622       311.2508 -57.93857      440.3466 109.5830 38.77048 93.25848 41.15604 16.32452       56.54175 
1 1 1 14  22 19 o 245.3370 20.70872 1817.599       295.1862 1817.599       295.1862 0.000000       0.000000 245.3370 20.70872 ?        ?        0.000000       20.70872 
1 1 1 14  22 20 o 366.3506 13.86488 3984.332       297.3576 4087.586       354.7501 3740.387       545.2735 370.1841 16.38064 349.1366 26.83558 21.04755       31.44000 
1 1 1 14  22 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  22 22 o 204.7411 20.89187 1277.361       247.3490 1416.276       284.1440 842.7655       502.5804 214.9028 22.89697 155.5471 49.19576 59.35567       54.26320 
1 1 1 14  22 23 o 193.6002 22.45994 1152.387       250.2878 1294.795       292.2437 760.4714       484.8141 204.3154 24.90285 148.1019 48.45846 56.21346       54.48279 
1 1 1 14  22 24 o 257.6159 16.84603 1996.081       253.1230 1937.768       286.1543 2205.827       542.7042 252.7604 19.45326 259.5291 36.67650 -6.768784      41.51620 
1 1 1 14  22 25 o 281.8996 15.53552 2382.637       255.8517 2509.658       290.6950 1946.015       538.9547 288.6064 17.25315 240.8073 39.53268 47.79901       43.13356 
1 1 1 14  22 26 o 117.4511 9.609850 410.5134       65.61662 403.8348       66.14194 825.9512       521.6594 116.4560 9.774320 150.1092 50.30880 -33.65316      51.24952 
1 1 1 14  22 27 f 140.4056 10.34273 587.3234       84.56903 583.2388       85.79188 727.5505       502.6735 139.8726 10.53580 140.8488 49.31713 -0.9761963     50.42997 
1 1 1 14  22 28 o 62.36976 24.95308 72.90376       138.2782 144.0073       143.6737 -820.7946      509.3627 72.10767 26.23909 70.95208 34.90668 1.155594       43.66882 
1 1 1 14  22 29 o 164.2666 9.498898 803.5038       91.12062 810.0706       92.64191 608.4692       504.8806 164.9063 9.620771 126.7655 48.55746 38.14087       49.50138 
1 1 1 14  22 30 o 48.34075 17.26014 63.05627       61.81628 57.35147       62.29897 426.9371       497.5540 47.22616 17.26395 112.8408 46.51416 -65.61459      49.61463 
1 1 1 14  22 31 o 45.63175 17.61470 45.30882       66.79822 42.78436       67.38103 189.3497       508.9757 45.29264 17.63411 99.43080 44.04597 -54.13816      47.44481 
1 1 1 14  22 32 o 113.6466 13.52125 396.0514       88.35567 427.8627       89.55788 -765.0228      541.0574 118.3201 13.12670 71.75962 35.43166 46.56049       37.78509 
1 1 1 14  22 33 o 109.2495 14.35782 369.5328       89.76933 356.2021       91.33846 747.5491       486.3889 106.9927 14.96498 127.8231 47.95673 -20.83041      50.23742 
1 1 1 14  22 34 o 118.3806 14.41857 434.8380       98.04193 464.5163       99.65509 -459.6759      547.1080 122.5324 14.12572 76.73225 37.41710 45.80012       39.99469 
1 1 1 14  22 35 o 32.23082 15.50821 -117.0269      86.26598 -102.8014      87.41636 -646.8764      533.5007 33.51441 15.98716 71.09564 35.11858 -37.58123      38.58632 
1 1 1 14  22 36 o 59.38434 21.32424 105.2431       94.49647 107.9053       96.18031 31.20260       507.2263 59.98690 21.51669 86.29534 40.34605 -26.30844      45.72496 
1 1 1 14  22 37 o 105.2702 16.82417 355.7649       100.3745 353.8502       102.7185 396.2877       472.5479 104.7144 17.33175 98.82410 43.15100 5.890297       46.50160 
1 1 1 14  22 38 o 144.9423 13.72031 653.2185       115.2415 697.3010       119.0451 -3.731373      459.5625 149.7987 13.70201 80.50757 37.88174 69.29112       40.28364 
1 1 1 14  22 39 o 77.00083 22.70357 206.2043       109.5021 255.4751       113.7653 -414.4708      403.7826 85.69518 22.39246 64.05115 31.42453 21.64403       38.58657 
1 1 1 14  22 40 o 167.0935 14.06180 873.0970       136.5231 948.7968       149.1975 483.4807       338.4797 173.6633 14.78941 101.7254 39.54630 71.93785       42.22128 
1 1 1 14  22 41 o 85.51454 23.20380 259.6398       119.3114 217.7920       126.8376 581.1973       351.5935 77.93795 24.72234 108.3268 40.74563 -30.38889      47.65921 
1 1 1 14  23 0  o 438.8439 12.38724 5692.461       318.4935 6638.728       502.0241 5055.051       412.0281 471.8242 18.17636 412.0370 17.08770 59.78720       24.94734 
1 1 1 14  23 1  o 409.5139 16.76605 4990.576       401.8192 0.000000       0.000000 4990.576       401.8192 ?        ?        409.5139 16.76605 0.000000       16.76605 
1 1 1 14  23 2  o 218.7448 8.494723 1409.983       108.7705 0.000000       0.000000 1409.983       108.7705 ?        ?        218.7448 8.494723 0.000000       8.494723 
1 1 1 14  23 3  o 404.8122 8.248389 4820.789       195.8273 5057.560       435.7566 4760.870       219.2098 411.7564 18.08899 402.1151 9.295209 9.641327       20.33746 
1 1 1 14  23 4  o 133.7477 9.847849 529.7773       76.70471 332.9749       314.1671 542.2525       79.09848 108.7956 38.90369 135.2956 10.04015 -26.50005      40.17838 
1 1 1 14  23 5  o 156.4093 8.692268 722.1604       79.42088 948.2485       316.8656 707.0048       82.03967 173.0991 32.40323 154.7069 9.081929 18.39220       33.65191 
1 1 1 14  23 6  o 286.8478 7.612389 2421.245       127.9496 2775.176       343.6705 2364.292       137.8602 304.3155 19.35640 283.3576 8.304672 20.95789       21.06271 
1 1 1 14  23 7  o 415.5887 8.139899 5080.829       198.3962 5187.097       385.9530 5042.665       231.2944 417.7931 15.77989 413.7803 9.531137 4.012756       18.43495 
1 1 1 14  23 8  o 142.9704 8.925141 604.0143       74.46294 378.7849       281.5400 620.9545       77.21249 111.6193 36.94768 144.9437 9.129550 -33.32444      38.05890 
1 1 1 14  23 9  o 290.3333 7.789606 2480.820       132.5166 2155.359       302.5383 2558.086       147.4099 268.0309 19.37701 294.7161 8.537489 -26.68524      21.17445 
1 1 1 14  23 10 o 176.8015 8.872508 922.3722       91.70492 0.000000       0.000000 922.3722       91.70492 ?        ?        176.8015 8.872508 0.000000       8.872508 
1 1 1 14  23 11 o 450.7238 12.05270 6002.642       318.3138 0.000000       0.000000 6002.642       318.3138 ?        ?        450.7238 12.05270 0.000000       12.05270 
1 1 1 14  23 12 o 248.6381 8.271694 1820.672       120.4502 2013.646       330.2173 1791.056       129.3632 258.2397 22.01317 246.5126 8.962817 11.72710       23.76787 
1 1 1 14  23 13 o 184.7364 8.706349 1006.514       94.06229 831.8254       313.0927 1023.846       98.61806 161.3580 34.15135 186.2805 9.054014 -24.92247      35.33115 
1 1 1 14  23 14 o 387.1999 9.947225 4419.656       225.6981 4965.214       430.1994 4212.467       265.1134 408.0063 18.02293 377.5567 11.98808 30.44965       21.64579 
1 1 1 14  23 15 f 549.6622 17.82386 9003.550       573.8172 9003.550       573.8172 0.000000       0.000000 549.6622 17.82386 ?        ?        0.000000       17.82386 
1 1 1 14  23 16 o 235.1498 23.63558 1681.502       321.5417 1681.502       321.5417 0.000000       0.000000 235.1498 23.63558 ?        ?        0.000000       23.63558 
1 1 1 14  23 17 o 379.7422 13.88020 4276.503       308.6055 4134.859       386.0963 4527.090       513.5412 372.0717 17.74483 387.1407 22.71793 -15.06897      28.82678 
1 1 1 14  23 18 o 122.3456 35.11898 481.7914       265.1739 340.1503       313.0432 841.6260       498.9547 108.7745 38.84105 157.6676 48.89552 -48.89310      62.44517 
1 1 1 14  23 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  23 20 o 146.1208 29.30082 680.7228       242.3503 589.8329       276.3228 983.6802       504.4865 134.2240 34.81183 167.9783 48.50835 -33.75438      59.70698 
1 1 1 14  23 21 f 112.8033 33.71655 410.6476       240.1896 377.0413       270.6302 535.3309       521.2790 109.5715 36.22298 132.2867 49.64370 -22.71520      61.45406 
1 1 1 14  23 22 o 275.7301 16.29424 2280.131       262.3181 2275.301       297.8654 2296.822       553.7068 274.5136 18.61148 265.4664 36.53246 9.047211       41.00010 
1 1 1 14  23 23 o 179.6257 23.06010 998.7186       237.3324 926.3287       273.2906 1220.790       478.6656 170.6972 28.28901 187.2934 44.27969 -16.59622      52.54483 
1 1 1 14  23 24 o 80.10306 30.92612 149.4723       205.9275 265.0700       228.2167 -357.1082      477.7461 94.48301 33.21852 82.44283 38.73960 12.04018       51.03162 
1 1 1 14  23 25 o 279.0558 14.78709 2334.696       241.1410 2314.071       271.9416 2410.585       521.6431 276.9286 16.82329 271.9281 33.41053 5.000488       37.40704 
1 1 1 14  23 26 o 109.1651 30.69123 394.6615       204.6411 587.0781       227.2574 -430.2849      470.5541 133.4321 29.79485 78.19035 37.24081 55.24171       47.69288 
1 1 1 14  23 27 o 180.6376 21.29753 1018.847       221.2932 1305.780       251.0309 18.45940       468.7281 204.7976 21.20678 93.88030 41.88651 110.9173       46.94899 
1 1 1 14  23 28 o 74.14507 30.19533 107.4909       206.4981 92.62778       228.5157 173.6621       482.1656 75.23630 31.31335 100.5779 43.75721 -25.34156      53.80724 
1 1 1 14  23 29 o 58.45809 26.94593 -112.0641      214.2694 -33.74439      237.4312 -455.7545      497.3774 66.45335 29.71912 76.88105 37.05424 -10.42770      47.49993 
1 1 1 14  23 30 o 149.1018 9.479821 664.2107       82.46670 660.7748       83.58036 790.5695       506.8637 148.6680 9.637915 134.7106 49.24334 13.95743       50.17764 
1 1 1 14  23 31 o 48.97971 17.66048 64.70325       64.89197 66.49002       65.37054 -55.98973      537.2651 49.41877 17.73723 90.25924 41.97323 -40.84047      45.56710 
1 1 1 14  23 32 o 67.45909 18.70078 147.0680       76.55351 138.4841       77.47073 503.1499       498.9673 65.58319 19.03001 112.2842 46.46094 -46.70103      50.20717 
1 1 1 14  23 33 o 104.5900 14.38599 340.3274       85.90788 330.0510       87.13320 698.0177       514.0635 102.7689 14.89006 121.1346 48.22913 -18.36578      50.47538 
1 1 1 14  23 34 o 55.16046 19.62961 88.50059       79.88893 99.90580       80.86215 -376.7751      516.4742 57.42709 19.79879 76.09872 36.93599 -18.67163      41.90775 
1 1 1 14  23 35 o 64.25516 21.06661 133.0900       91.60693 133.4187       93.20373 123.7422       497.0189 64.38367 21.25641 89.46418 41.16600 -25.08051      46.33006 
1 1 1 14  23 36 o 54.92050 20.95528 79.66885       93.78901 81.95464       95.71339 24.53305       470.0804 55.51871 21.17265 83.22779 38.88855 -27.70908      44.27867 
1 1 1 14  23 37 o 89.84940 21.06851 274.4547       109.0825 289.3089       112.1060 10.16827       472.8714 92.24636 21.17113 81.76568 38.45897 10.48068       43.90113 
1 1 1 14  23 38 o 69.87421 23.25699 165.3569       111.5126 148.7306       114.7626 446.4949       471.9140 67.23670 23.56271 99.10418 43.20031 -31.86748      49.20842 
1 1 1 14  23 39 o 126.7716 17.03621 519.3752       123.4585 573.4280       130.3625 49.23482       384.4657 133.2566 17.07234 77.16964 35.75529 56.08698       39.62204 
1 1 1 14  23 40 o 49.36904 21.24660 21.30356       111.2341 10.28879       120.1586 87.29958       294.1211 49.73565 21.73717 73.43417 32.94122 -23.69852      39.46680 
1 1 1 14  24 0  o 304.7968 8.512939 2736.055       152.0249 0.000000       0.000000 2736.055       152.0249 ?        ?        304.7968 8.512939 0.000000       8.512939 
1 1 1 14  24 1  o 278.2841 9.059795 2282.448       147.6652 3270.487       397.0540 2123.856       159.0753 329.9242 20.62350 268.2596 10.12927 61.66464       22.97675 
1 1 1 14  24 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  24 3  o 361.8557 8.924763 3854.632       189.4012 0.000000       0.000000 3854.632       189.4012 ?        ?        361.8557 8.924763 0.000000       8.924763 
1 1 1 14  24 4  o 310.4101 7.710328 2833.709       140.3651 2739.447       364.9212 2850.077       152.0643 301.8169 20.74215 311.1178 8.341493 -9.300873      22.35659 
1 1 1 14  24 5  o 195.7881 8.094778 1129.583       92.74788 1221.940       316.4155 1120.902       97.00895 198.6679 27.92674 194.9836 8.503716 3.684250       29.19274 
1 1 1 14  24 6  o 37.56601 16.26603 -8.286461      65.98190 -8.975740      262.2934 -8.239896      68.17422 75.07470 32.46922 38.22015 16.54167 36.85455       36.44005 
1 1 1 14  24 7  o 231.5863 8.045881 1579.520       109.1131 1062.793       291.3961 1663.786       117.6742 185.1714 27.68062 237.6378 8.456840 -52.46638      28.94365 
1 1 1 14  24 8  o 246.6385 7.977764 1791.113       115.2447 1338.106       293.9332 1873.402       125.2752 209.3447 24.39739 252.1797 8.482484 -42.83496      25.82993 
1 1 1 14  24 9  o 227.9656 24.22063 1582.616       318.8707 1582.616       318.8707 0.000000       0.000000 227.9656 24.22063 ?        ?        0.000000       24.22063 
1 1 1 14  24 10 o 187.7914 9.351024 1040.956       102.6637 0.000000       0.000000 1040.956       102.6637 ?        ?        187.7914 9.351024 0.000000       9.351024 
1 1 1 14  24 11 f 266.8260 8.685578 2097.386       135.7370 2126.312       337.9967 2091.824       148.2139 265.4432 21.90637 266.3510 9.503440 -0.9078064     23.87895 
1 1 1 14  24 12 o 380.6485 11.01028 4276.749       245.5367 0.000000       0.000000 4276.749       245.5367 ?        ?        380.6485 11.01028 0.000000       11.01028 
1 1 1 14  24 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  24 14 o 341.0036 18.32006 3475.890       365.0389 3475.890       365.0389 0.000000       0.000000 341.0036 18.32006 ?        ?        0.000000       18.32006 
1 1 1 14  24 15 o 238.9691 22.48210 1731.943       311.3843 1731.943       311.3843 0.000000       0.000000 238.9691 22.48210 ?        ?        0.000000       22.48210 
1 1 1 14  24 16 o 516.5439 17.09394 7957.107       517.1319 7957.107       517.1319 0.000000       0.000000 516.5439 17.09394 ?        ?        0.000000       17.09394 
1 1 1 14  24 17 o 260.1433 22.22840 2054.158       335.8877 2054.158       335.8877 0.000000       0.000000 260.1433 22.22840 ?        ?        0.000000       22.22840 
1 1 1 14  24 18 o 149.1528 31.61373 714.6534       267.9406 813.9035       313.8551 447.9133       514.5264 158.1799 34.78074 127.3190 48.95545 30.86089       60.05278 
1 1 1 14  24 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  24 20 o 372.1949 14.18866 4125.658       309.1479 4045.976       359.0922 4353.837       607.6628 367.4895 16.70505 374.3178 27.88059 -6.828308      32.50209 
1 1 1 14  24 21 o 69.95941 30.13550 7.210231       224.1704 124.5637       251.8557 -440.2689      491.8019 82.96955 33.50802 81.60625 38.63653 1.363297       51.14263 
1 1 1 14  24 22 o 147.5761 26.77322 691.7798       223.1908 684.6829       252.5602 717.0809       476.8739 145.2417 30.61640 143.5418 48.10070 1.699890       57.01791 
1 1 1 14  24 23 o 106.2655 33.15422 365.2438       229.0241 347.5336       255.9779 436.3033       512.7451 104.8862 35.24224 123.1961 48.44429 -18.30991      59.90714 
1 1 1 14  24 24 f 192.0217 21.24441 1137.794       235.2500 1024.832       262.8156 1593.134       527.6590 180.1490 25.59476 212.6551 43.76837 -32.50610      50.70269 
1 1 1 14  24 25 o 47.68495 23.29509 -369.1009      214.8492 -188.7506      239.4795 -1113.054      486.3878 59.37334 27.74716 63.62408 31.77427 -4.250740      42.18423 
1 1 1 14  24 26 o 151.9957 25.75439 745.5348       221.3908 811.4191       250.9930 514.6040       469.9066 157.3372 28.23829 122.3415 46.84980 34.99570       54.70197 
1 1 1 14  24 27 o 52.64206 25.00751 -215.2010      209.4280 -118.2982      233.3618 -616.2496      474.7446 61.33987 28.21861 71.57712 34.89259 -10.23725      44.87519 
1 1 1 14  24 28 o 80.58374 30.94993 179.9477       205.4857 142.3799       226.8089 352.0335       485.4285 78.70004 31.79305 108.2814 45.39403 -29.58133      55.42036 
1 1 1 14  24 29 o 110.0632 31.25941 427.2776       211.1878 344.2697       231.8200 832.3206       512.0846 99.29168 33.53858 137.5942 49.61111 -38.30248      59.88404 
1 1 1 14  24 30 o 130.8413 29.00881 593.4542       216.7570 511.5398       241.2598 936.3871       493.6391 118.5149 33.32579 144.4595 48.94040 -25.94461      59.20955 
1 1 1 14  24 31 o 117.7258 30.06353 493.3286       208.2729 494.7277       229.5770 486.8224       495.0711 116.3308 32.43592 111.4823 46.21779 4.848557       56.46391 
1 1 1 14  24 32 o 62.50975 27.96899 -15.81028      210.5629 -13.08468      236.6639 -26.16265      461.2338 65.86070 29.54605 84.18941 39.06133 -18.32871      48.97710 
1 1 1 14  24 33 o 114.0373 12.93449 400.1975       84.97999 419.0214       86.11058 -302.5699      526.1472 116.7802 12.78146 78.67709 37.96744 38.10307       40.06111 
1 1 1 14  24 34 o 35.71762 17.73610 -309.2830      142.8547 -238.5712      149.1091 -1099.531      498.4712 39.71090 19.40111 60.22612 30.36010 -20.51521      36.02969 
1 1 1 14  24 35 o 51.49206 20.04516 63.62762       87.05731 86.69570       88.74713 -524.8815      448.2550 55.49281 20.55032 66.16825 32.59063 -10.67544      38.52876 
1 1 1 14  24 36 o 84.61059 20.38843 241.7915       99.97110 235.4414       103.4722 330.8917       387.5898 83.11473 21.17171 93.28020 39.89296 -10.16547      45.16292 
1 1 1 14  24 37 f 31.60727 15.38335 -144.1464      91.25665 -131.5618      93.10387 -451.8853      460.4034 32.81771 15.86980 67.62373 33.25293 -34.80601      36.84573 
1 1 1 14  24 38 o 43.92415 19.82343 -29.14680      108.3528 -8.360381      112.0030 -332.5426      427.9024 46.57592 20.64559 67.59566 32.99004 -21.01975      38.91764 
1 1 1 14  24 39 o 86.23892 22.27464 260.4012       113.4460 294.2423       119.6322 -41.66013      357.4153 91.67481 22.43623 71.56083 33.58871 20.11398       40.39289 
1 1 1 14  24 40 o 50.73085 21.76854 28.02604       116.1195 22.48800       122.4984 77.08447       364.5939 51.15926 22.15757 76.33196 35.17204 -25.17270      41.56958 
1 1 1 14  25 0  o 402.3048 9.498510 4767.286       224.1100 0.000000       0.000000 4767.286       224.1100 ?        ?        402.3048 9.498510 0.000000       9.498510 
1 1 1 14  25 1  o 289.7178 12.96111 2486.602       219.6681 2451.774       389.7264 2502.818       265.9369 284.3785 23.57930 289.9795 15.69577 -5.600983      28.32562 
1 1 1 14  25 2  o 128.4702 12.38472 492.0435       92.15720 0.000000       0.000000 492.0435       92.15720 ?        ?        128.4702 12.38472 0.000000       12.38472 
1 1 1 14  25 3  o 291.8261 21.88957 2569.240       371.9078 2569.240       371.9078 0.000000       0.000000 291.8261 21.88957 ?        ?        0.000000       21.88957 
1 1 1 14  25 4  o 180.5817 8.950124 962.3131       94.49261 822.4573       338.7336 974.1147       98.39873 159.3460 36.96393 181.6472 9.267183 -22.30125      38.10791 
1 1 1 14  25 5  o 146.1340 10.45937 632.7092       89.04836 595.5749       322.4420 635.7753       92.65165 135.6568 38.65751 146.4301 10.86622 -10.77330      40.15567 
1 1 1 14  25 6  o 155.1559 10.35995 712.6877       93.73055 458.7051       298.1620 740.5394       98.73613 120.7373 37.85273 158.1210 10.71042 -37.38365      39.33881 
1 1 1 14  25 7  o 90.17956 16.25403 248.6229       82.80295 -105.3876      307.9160 276.2187       85.96971 75.37607 33.76683 95.23283 15.95641 -19.85677      37.34710 
1 1 1 14  25 8  o 39.12732 17.41600 -29.82485      80.53799 -386.7240      313.2549 -4.563799      83.33948 63.26681 30.20298 42.88346 18.42214 20.38335       35.37789 
1 1 1 14  25 9  o 241.2768 8.519192 1715.093       120.3601 1271.630       333.7518 1781.388       129.0434 202.4551 28.93061 245.8403 8.965203 -43.38519      30.28787 
1 1 1 14  25 10 o 307.4541 8.880505 2784.751       159.9606 3460.519       394.3156 2651.637       175.0076 339.7590 19.87573 299.8290 9.966361 39.93002       22.23450 
1 1 1 14  25 11 o 160.5384 36.59185 833.3911       336.8297 833.3911       336.8297 0.000000       0.000000 160.5384 36.59185 ?        ?        0.000000       36.59185 
1 1 1 14  25 12 o 258.6961 23.08578 2029.343       346.5790 2029.343       346.5790 0.000000       0.000000 258.6961 23.08578 ?        ?        0.000000       23.08578 
1 1 1 14  25 13 f 239.5930 23.82754 1748.203       330.3814 1748.203       330.3814 0.000000       0.000000 239.5930 23.82754 ?        ?        0.000000       23.82754 
1 1 1 14  25 14 o 95.51924 37.61010 192.5891       309.4019 192.5891       309.4019 0.000000       0.000000 95.51924 37.61010 ?        ?        0.000000       37.61010 
1 1 1 14  25 15 o 291.5503 19.40237 2556.546       329.8681 2556.546       329.8681 0.000000       0.000000 291.5503 19.40237 ?        ?        0.000000       19.40237 
1 1 1 14  25 16 o 510.9498 17.22209 7800.345       515.3397 7800.345       515.3397 0.000000       0.000000 510.9498 17.22209 ?        ?        0.000000       17.22209 
1 1 1 14  25 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  25 18 o 260.8599 18.20137 2050.316       276.7125 1958.371       327.4227 2280.119       517.6338 253.2414 22.27236 266.8751 33.83141 -13.63367      40.50459 
1 1 1 14  25 19 o 151.8236 28.00853 733.3351       240.2049 714.6040       271.6445 800.4949       514.3674 148.1582 32.18523 151.1754 49.93661 -3.017197      59.41005 
1 1 1 14  25 20 o 77.66589 32.80271 53.20353       256.4846 53.20353       256.4846 0.000000       0.000000 77.66589 32.80271 ?        ?        0.000000       32.80271 
1 1 1 14  25 21 o 129.9920 30.37873 550.8530       227.4126 695.2574       256.7941 25.91817       489.6068 146.1519 30.92542 99.24696 43.61274 46.90492       53.46450 
1 1 1 14  25 22 o 216.9821 19.58897 1436.416       246.5974 1540.671       279.6634 1072.091       522.7964 223.8756 21.56651 170.7306 49.40418 53.14502       53.90628 
1 1 1 14  25 23 o 140.1632 28.59652 638.6270       227.1001 511.3233       255.8295 1111.849       493.2449 123.2846 34.19004 173.9556 47.16957 -50.67104      58.25742 
1 1 1 14  25 24 o 60.56522 27.66223 -107.4599      218.8749 20.70498       247.6653 -564.5739      467.7276 73.07126 31.57669 73.77596 35.65027 -0.7046967     47.62383 
1 1 1 14  25 25 o 158.9941 24.95713 811.3053       225.0601 923.2085       257.4982 449.2003       463.2018 168.6641 26.93735 117.3430 46.07403 51.32111       53.37075 
1 1 1 14  25 26 o 55.40206 26.01327 -175.5557      214.6982 -136.3995      243.2483 -313.6055      456.7379 61.71315 28.54003 78.44388 37.16714 -16.73072      46.86075 
1 1 1 14  25 27 o 94.51600 31.70564 301.1186       207.1870 483.0382       233.0601 -384.4660      452.4375 116.8889 32.71387 74.90603 35.90415 41.98291       48.57268 
1 1 1 14  25 28 o 75.56418 30.40360 134.4612       206.5060 -24.99047      231.1240 765.6125       459.8300 65.75579 29.37042 134.3586 47.15932 -68.60285      55.55739 
1 1 1 14  25 29 o 71.19001 29.95814 83.27392       212.6804 2.691881       239.9165 378.9640       459.5782 68.27901 30.24367 106.1264 44.30674 -37.84738      53.64482 
1 1 1 14  25 30 o 121.7106 30.05805 526.4094       213.2674 512.2420       240.3110 578.9410       462.7426 117.8073 33.30678 117.2001 46.04119 0.6071167      56.82546 
1 1 1 14  25 31 o 201.4592 18.98150 1289.084       221.6253 1379.523       249.5025 950.8600       482.5030 206.8563 20.85049 141.1844 48.37460 65.67188       52.67680 
1 1 1 14  25 32 o 56.16586 26.12033 -108.6625      208.1139 -154.6556      232.4101 77.45470       467.5218 57.13289 26.90051 87.54353 40.15081 -30.41063      48.32934 
1 1 1 14  25 33 o 126.4343 27.66221 568.5384       199.4014 691.0226       219.0001 -25.36530      482.2388 139.7367 27.70197 83.51777 39.14176 56.21896       47.95286 
1 1 1 14  25 34 o 81.88860 31.20038 229.0311       207.7249 202.4979       226.8870 366.5054       516.4469 80.02964 31.98190 98.68004 44.00150 -18.65040      54.39646 
1 1 1 14  25 35 o 80.12412 17.05073 209.4466       77.66025 215.3474       78.73654 -1.973860      471.2975 81.26505 17.06457 81.64135 38.39875 -0.3762970     42.01980 
1 1 1 14  25 36 o 79.14731 31.13273 211.5654       211.8209 215.8411       238.1484 195.3715       463.4690 80.53786 32.56282 87.76348 40.14842 -7.225616      51.69365 
1 1 1 14  25 37 o 90.09310 19.84838 273.9335       102.0378 262.3828       104.5764 503.2177       465.9241 87.67137 20.67674 100.9341 43.46156 -13.26271      48.12935 
1 1 1 14  25 38 o 62.80627 23.81965 119.5087       120.7271 149.3594       126.1610 -204.7978      415.8392 67.40269 24.57876 69.92090 33.74483 -2.518211      41.74721 
1 1 1 14  25 39 o 52.87954 22.45716 40.13917       121.3219 86.48967       127.7638 -385.0367      386.9590 59.00062 23.85226 62.50496 30.68562 -3.504345      38.86563 
1 1 1 14  26 0  o 255.9579 13.94603 1945.060       208.5575 1811.496       416.6720 1989.708       240.9070 241.6467 30.04828 258.3962 15.97502 -16.74945      34.03088 
1 1 1 14  26 1  o 134.0274 13.67881 536.9337       106.0150 0.000000       0.000000 536.9337       106.0150 ?        ?        134.0274 13.67881 0.000000       13.67881 
1 1 1 14  26 2  o 127.7154 13.90180 488.3421       102.4489 497.5138       361.3685 487.5405       106.8320 126.3519 41.86061 127.4853 14.54877 -1.133400      44.31679 
1 1 1 14  26 3  o 38.50306 17.57702 -56.72832      88.23031 -219.6161      380.8054 -47.48813      90.69833 79.04689 36.24741 40.06488 18.10405 38.98201       40.51705 
1 1 1 14  26 4  o 87.89078 18.71917 238.8235       93.53132 -294.3413      379.1351 273.3742       96.51431 75.66599 35.21144 94.28609 18.11204 -18.62011      39.59661 
1 1 1 14  26 5  o 122.1190 14.30193 447.4684       100.4921 372.8017       347.0764 454.3007       104.9892 114.2893 40.88799 122.9504 14.86128 -8.661140      43.50500 
1 1 1 14  26 6  o 250.6538 8.787188 1851.481       128.9741 3000.923       416.3322 1729.461       135.6471 315.2445 22.67001 242.1300 9.571231 73.11452       24.60768 
1 1 1 14  26 7  o 431.2948 8.898094 5475.814       225.0721 6298.352       505.2369 5272.166       251.3951 459.1301 18.80307 422.9562 10.13470 36.17386       21.36042 
1 1 1 14  26 8  o 422.7119 8.788890 5259.723       217.8858 5595.848       461.3508 5163.229       247.1903 432.9456 18.21035 418.5678 10.06967 14.37784       20.80901 
1 1 1 14  26 9  o 221.2227 9.084859 1443.427       117.6179 1183.165       333.5677 1480.381       125.6907 194.4894 30.22511 223.9678 9.591224 -29.47839      31.71039 
1 1 1 14  26 10 o 85.24769 36.32251 36.64808       319.1919 36.64808       319.1919 0.000000       0.000000 85.24769 36.32251 ?        ?        0.000000       36.32251 
1 1 1 14  26 11 o 224.3067 25.86404 1545.464       334.0201 1545.464       334.0201 0.000000       0.000000 224.3067 25.86404 ?        ?        0.000000       25.86404 
1 1 1 14  26 12 o 418.2195 17.86654 5228.821       437.2134 5228.821       437.2134 0.000000       0.000000 418.2195 17.86654 ?        ?        0.000000       17.86654 
1 1 1 14  26 13 o 239.3757 24.99836 1757.396       345.7804 1757.396       345.7804 0.000000       0.000000 239.3757 24.99836 ?        ?        0.000000       24.99836 
1 1 1 14  26 14 o 207.1790 25.37155 1324.380       301.8523 1324.380       301.8523 0.000000       0.000000 207.1790 25.37155 ?        ?        0.000000       25.37155 
1 1 1 14  26 15 o 317.2533 19.62779 3035.245       363.4094 3035.245       363.4094 0.000000       0.000000 317.2533 19.62779 ?        ?        0.000000       19.62779 
1 1 1 14  26 16 o 158.5838 34.31575 822.4053       309.8723 822.4053       309.8723 0.000000       0.000000 158.5838 34.31575 ?        ?        0.000000       34.31575 
1 1 1 14  26 17 o 372.9265 18.31836 4185.929       399.4196 4185.929       399.4196 0.000000       0.000000 372.9265 18.31836 ?        ?        0.000000       18.31836 
1 1 1 14  26 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  26 19 o 244.0741 17.01166 1794.615       241.9870 1570.862       283.5043 2395.176       464.4662 226.4189 21.61184 275.4956 29.19034 -49.07678      36.32007 
1 1 1 14  26 20 o 173.7716 27.87468 960.8400       274.4773 960.8400       274.4773 0.000000       0.000000 173.7716 27.87468 ?        ?        0.000000       27.87468 
1 1 1 14  26 21 o 138.6734 30.44011 630.2693       240.7623 567.3322       282.8632 795.7589       458.6786 129.5322 35.96191 148.5442 47.00014 -19.01195      59.18000 
1 1 1 14  26 22 o 207.0972 20.27376 1318.915       243.0893 1636.483       284.2513 454.3833       469.0020 230.3497 21.28140 120.7756 46.66042 109.5741       51.28443 
1 1 1 14  26 23 o 52.24715 25.03441 -270.7042      219.5320 -291.5189      245.6430 -188.1141      489.3082 55.49054 26.55980 87.66961 40.52071 -32.17907      48.44947 
1 1 1 14  26 24 o 81.47623 30.27179 187.4583       192.8624 233.1486       212.7649 -23.05721      456.6992 87.99408 31.94386 90.39452 40.75592 -2.400444      51.78277 
1 1 1 14  26 25 o 140.5565 25.02329 644.3212       198.7123 654.1777       220.2725 601.2370       460.5317 140.0825 27.79319 125.3875 46.74114 14.69503       54.38010 
1 1 1 14  26 26 o 49.02008 23.73987 -293.3290      210.2949 -210.8138      238.2454 -584.4001      447.4631 56.85842 26.91131 68.82990 33.62343 -11.97148      43.06685 
1 1 1 14  26 27 o 52.44380 25.16581 -255.9643      223.6759 -121.6333      254.5067 -711.8291      468.8448 63.12706 29.19360 67.28216 33.17588 -4.155098      44.19169 
1 1 1 14  26 28 o 75.67484 30.80300 132.5983       214.7658 76.26897       242.0428 341.1117       465.6844 73.64140 31.51032 104.0064 44.07668 -30.36500      54.18168 
1 1 1 14  26 29 o 126.5527 29.81596 566.9136       217.6335 569.6730       244.2707 556.2911       479.2666 124.5430 32.94134 115.4880 46.36958 9.055008       56.87943 
1 1 1 14  26 30 o 96.39192 31.73387 337.3940       207.7814 191.4895       237.7929 808.4525       427.2694 81.50817 32.68418 133.5326 45.52751 -52.02444      56.04471 
1 1 1 14  26 31 o 74.25412 30.07510 144.7119       203.5553 134.6821       228.0415 184.0356       451.5405 75.27348 31.30089 91.31712 40.90062 -16.04363      51.50346 
1 1 1 14  26 32 o 78.98943 30.90370 194.8728       207.7613 250.9847       232.3525 -28.91595      464.0225 85.61001 32.90322 82.38512 38.54121 3.224884       50.67590 
1 1 1 14  26 33 o 64.29878 28.32086 31.37159       207.5682 24.70474       231.5456 58.65274       468.3901 66.40019 29.54436 84.69977 39.32048 -18.29958      49.18302 
1 1 1 14  26 34 o 64.38468 28.02335 51.42622       197.9415 65.89696       222.3157 -3.923902      434.7946 67.91454 29.62699 79.74570 37.30684 -11.83115      47.63988 
1 1 1 14  26 35 o 119.4830 31.78196 558.1148       226.5680 760.2412       260.4485 -70.70554      459.3817 139.6924 32.41751 77.93858 37.02824 61.75381       49.21367 
1 1 1 14  26 36 o 197.3168 21.36989 1305.117       243.3533 1452.448       290.3428 957.2026       446.1706 204.0467 24.76887 132.5779 46.45972 71.46872       52.64981 
1 1 1 14  26 37 o 97.89794 33.33941 396.7990       229.1132 563.9930       272.9202 -2.266445      421.6454 113.3331 36.29990 76.84373 36.19724 36.48933       51.26327 
1 1 1 14  26 38 o 53.08789 25.62864 -228.4527      240.2990 -464.2892      290.7618 279.7052       426.8068 51.52127 25.53492 88.13841 39.59791 -36.61715      47.11716 
1 1 1 14  27 0  o 700.2339 20.81730 14702.74       853.9561 14702.74       853.9561 0.000000       0.000000 700.2339 20.81730 ?        ?        0.000000       20.81730 
1 1 1 14  27 1  o 366.3030 9.760944 3956.150       209.5056 0.000000       0.000000 3956.150       209.5056 ?        ?        366.3030 9.760944 0.000000       9.760944 
1 1 1 14  27 2  o 376.6817 8.778249 4176.797       193.9246 4026.700       452.3978 4210.585       214.6451 365.9075 21.17177 377.9207 9.692333 -12.01318      23.28487 
1 1 1 14  27 3  o 85.40466 20.06379 226.7145       98.77724 996.1991       364.9065 165.8731       102.6080 175.7009 36.60234 73.80910 22.03149 101.8917       42.72140 
1 1 1 14  27 4  o 283.6475 8.943749 2371.107       148.5956 1745.621       378.7791 2484.879       161.5457 238.0398 27.64591 290.2871 9.501726 -52.24734      29.23319 
1 1 1 14  27 5  o 78.75970 21.32932 192.3086       100.9300 285.5220       339.8375 183.2912       105.6992 106.0158 40.01884 77.17397 22.17859 28.84187       45.75366 
1 1 1 14  27 6  o 35.48610 16.86834 -118.3977      95.59011 -527.2498      331.5857 -81.33974      99.82825 60.92289 29.57597 39.42733 18.25110 21.49556       34.75401 
1 1 1 14  27 7  f 168.4386 11.13979 840.9621       109.4268 464.9442       352.6032 881.0363       115.1103 122.6164 41.36308 172.3706 11.45170 -49.75421      42.91906 
1 1 1 14  27 8  o 292.5584 14.48302 2544.120       247.7251 2064.530       358.3326 2983.168       342.8522 260.4510 23.71897 315.5123 18.61117 -55.06128      30.14904 
1 1 1 14  27 9  o 315.8339 8.670457 2939.516       160.4502 2445.901       348.9571 3071.851       180.6824 284.5945 21.05629 322.7011 9.557490 -38.10654      23.12386 
1 1 1 14  27 10 o 162.8016 11.55364 786.9981       109.5966 353.2462       347.9197 834.7800       115.4755 111.7891 40.80858 167.6470 11.82052 -55.85786      42.48606 
1 1 1 14  27 11 o 220.8810 9.598932 1441.132       124.0491 1988.591       369.0036 1371.380       131.7149 254.6454 25.03156 215.3105 10.46215 39.33482       27.12998 
1 1 1 14  27 12 o 229.9870 27.52523 1643.030       363.9010 1643.030       363.9010 0.000000       0.000000 229.9870 27.52523 ?        ?        0.000000       27.52523 
1 1 1 14  27 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  27 14 o 217.3712 26.88912 1473.250       335.4890 1473.250       335.4890 0.000000       0.000000 217.3712 26.88912 ?        ?        0.000000       26.88912 
1 1 1 14  27 15 o 153.8514 35.25063 781.6165       311.2309 781.6165       311.2309 0.000000       0.000000 153.8514 35.25063 ?        ?        0.000000       35.25063 
1 1 1 14  27 16 o 432.7499 17.65885 5629.112       447.2360 5629.112       447.2360 0.000000       0.000000 432.7499 17.65885 ?        ?        0.000000       17.65885 
1 1 1 14  27 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  27 18 o 64.62177 29.33776 -107.8772      241.5542 -116.8841      292.4350 -88.53466      428.5490 71.28417 32.32981 88.20924 39.65015 -16.92507      51.16005 
1 1 1 14  27 19 o 127.8258 31.57945 539.0836       235.3412 677.5868       277.5963 185.1578       443.7515 142.6359 33.71979 103.4383 43.38515 39.19767       54.94812 
1 1 1 14  27 20 o 216.6346 23.13909 1458.792       289.4379 1458.792       289.4379 0.000000       0.000000 216.6346 23.13909 ?        ?        0.000000       23.13909 
1 1 1 14  27 21 o 68.14647 29.16957 24.94875       207.5538 187.8089       233.3223 -592.6006      454.3438 85.72256 32.96527 71.75496 34.78432 13.96760       47.92346 
1 1 1 14  27 22 o 159.9376 23.53609 811.1583       214.1724 965.8068       244.6977 304.7244       442.8110 174.1577 24.64498 107.7530 44.08986 66.40472       50.51031 
1 1 1 14  27 23 o 60.33113 26.68899 -25.34587      186.2512 25.97545       206.6844 -247.0829      429.6135 67.27809 28.95794 78.62011 36.87769 -11.34202      46.88845 
1 1 1 14  27 24 o 144.6393 25.13719 683.9504       205.4975 605.1998       233.4606 954.8818       433.0285 132.7007 30.62011 155.2762 44.97224 -22.57549      54.40674 
1 1 1 14  27 25 o 102.7205 30.90310 366.9188       201.2868 361.2215       229.1300 386.1803       421.3014 101.6307 33.31725 107.5164 43.36772 -5.885719      54.68819 
1 1 1 14  27 26 o 62.21982 27.85515 -32.28053      209.1728 102.2593       237.0233 -505.9791      444.7507 75.47068 31.68467 69.90365 34.00837 5.567032       46.48105 
1 1 1 14  27 27 o 75.75471 31.01372 129.8594       219.2514 170.2460       252.1176 4.541963       444.1096 81.90491 33.36106 86.34775 39.42483 -4.442833      51.64570 
1 1 1 14  27 28 o 157.8014 24.36668 827.1093       218.2514 949.7518       253.2148 472.7107       430.4417 167.4199 26.68379 109.7038 43.97958 57.71612       51.44151 
1 1 1 14  27 29 o 45.83872 22.41465 -313.8622      200.3191 -283.8391      230.4678 -406.6237      405.1042 51.52872 24.93018 67.26714 32.66397 -15.73842      41.09074 
1 1 1 14  27 30 o 62.53381 28.14837 -20.99614      216.8345 -23.86023      251.1180 -12.60238      429.8957 66.32962 30.03335 81.68712 37.83461 -15.35750      48.30590 
1 1 1 14  27 31 f 127.6455 28.42548 585.0817       207.3328 543.5533       231.3239 754.7136       467.5219 119.6114 32.24713 123.0415 46.82492 -3.430107      56.85464 
1 1 1 14  27 32 o 59.74744 26.88231 -16.10605      197.5218 -95.90565      220.2938 311.1173       446.0917 57.85578 26.89523 94.76324 41.63641 -36.90746      49.56757 
1 1 1 14  27 33 o 79.08391 31.00730 206.5410       209.5338 162.1844       238.2343 358.0802       440.3395 76.56500 31.92767 95.84889 41.75647 -19.28389      52.56404 
1 1 1 14  27 34 o 75.43443 30.45639 175.3138       208.0063 266.2329       230.4215 -224.9708      483.4814 85.00553 32.74144 74.73869 36.14712 10.26684       48.77106 
1 1 1 14  27 35 o 106.2074 32.64302 455.5936       222.9746 401.2794       260.0550 606.3603       433.2727 97.73851 35.33902 108.0121 43.83051 -10.27359      56.30239 
1 1 1 14  27 36 o 68.15996 30.08098 71.33914       235.2628 281.7941       286.7047 -362.4764      411.6308 85.99136 35.36334 65.27843 31.96481 20.71293       47.66880 
1 1 1 14  27 37 o 93.00316 34.32862 362.1035       247.2883 585.8119       318.6351 23.29252       392.1309 110.9081 39.22876 75.91561 35.48706 34.99249       52.89827 
1 1 1 14  28 0  o 412.6580 10.36103 5025.522       250.5534 0.000000       0.000000 5025.522       250.5534 ?        ?        412.6580 10.36103 0.000000       10.36103 
1 1 1 14  28 1  o 298.9860 10.58322 2640.459       185.2822 2468.431       394.8572 2689.031       209.8157 284.8789 23.85233 301.4417 11.89151 -16.56287      26.65224 
1 1 1 14  28 2  o 253.0037 25.91383 1963.334       379.0843 1963.334       379.0843 0.000000       0.000000 253.0037 25.91383 ?        ?        0.000000       25.91383 
1 1 1 14  28 3  o 208.6515 10.01358 1286.552       122.1777 1203.402       348.2173 1298.225       130.4725 195.2783 31.47482 209.4919 10.65441 -14.21359      33.22921 
1 1 1 14  28 4  o 167.1641 11.18785 828.7411       109.0517 671.2178       332.1434 847.7736       115.4519 142.9262 38.68690 168.9892 11.72172 -26.06303      40.42369 
1 1 1 14  28 5  o 414.1767 8.691171 5051.852       211.1128 5422.116       449.0815 4946.813       239.1904 425.7354 18.02681 409.5750 9.957720 16.16049       20.59422 
1 1 1 14  28 6  o 49.27995 20.86406 7.680856       104.1762 178.7253       345.0409 -9.475150      109.2759 97.47033 39.27116 48.49169 20.96489 48.97864       44.51685 
1 1 1 14  28 7  o 160.9514 12.09279 770.3758       113.3142 690.0367       349.1316 779.8351       119.7995 144.3103 39.91046 161.8220 12.72545 -17.51172      41.89011 
1 1 1 14  28 8  o 166.2115 11.66323 820.6454       112.9705 383.9253       354.0704 870.1426       119.2006 114.5489 41.25911 171.1201 11.95271 -56.57118      42.95558 
1 1 1 14  28 9  o 256.0676 16.46303 1962.795       245.9278 1724.494       385.5073 2126.322       319.3487 235.1765 28.53341 265.0262 20.71028 -29.84976      35.25721 
1 1 1 14  28 10 o 183.4519 11.07893 998.2764       118.6429 1344.442       374.8022 959.7269       125.0747 205.3699 32.17396 179.6960 11.93573 25.67383       34.31655 
1 1 1 14  28 11 o 128.9477 39.38805 549.4433       325.2782 549.4433       325.2782 0.000000       0.000000 128.9477 39.38805 ?        ?        0.000000       39.38805 
1 1 1 14  28 12 o 125.5867 39.68702 519.2374       327.1363 519.2374       327.1363 0.000000       0.000000 125.5867 39.68702 ?        ?        0.000000       39.68702 
1 1 1 14  28 13 o 139.9902 37.93174 657.3093       319.1049 657.3093       319.1049 0.000000       0.000000 139.9902 37.93174 ?        ?        0.000000       37.93174 
1 1 1 14  28 14 o 106.5218 39.31998 326.6363       324.4326 326.6363       324.4326 0.000000       0.000000 106.5218 39.31998 ?        ?        0.000000       39.31998 
1 1 1 14  28 15 o 252.4276 24.22779 1970.001       354.2764 1970.001       354.2764 0.000000       0.000000 252.4276 24.22779 ?        ?        0.000000       24.22779 
1 1 1 14  28 16 o 284.9338 20.97114 2477.807       347.9871 2477.807       347.9871 0.000000       0.000000 284.9338 20.97114 ?        ?        0.000000       20.97114 
1 1 1 14  28 17 o 132.0064 38.39849 592.9707       315.0678 592.9707       315.0678 0.000000       0.000000 132.0064 38.39849 ?        ?        0.000000       38.39849 
1 1 1 14  28 18 o 226.5414 25.23858 1608.800       329.6352 1608.800       329.6352 0.000000       0.000000 226.5414 25.23858 ?        ?        0.000000       25.23858 
1 1 1 14  28 19 o 208.9030 21.58896 1350.897       260.6942 1334.085       321.3136 1383.281       445.9542 204.3538 27.50792 200.0694 39.40929 4.284424       48.06015 
1 1 1 14  28 20 o 126.9133 31.93826 543.0691       237.5000 856.1415       280.7222 -245.3356      445.4807 160.7150 30.90529 81.51431 38.01162 79.20068       48.99000 
1 1 1 14  28 21 o 55.38201 26.42381 -263.1449      239.0527 -263.1449      239.0527 0.000000       0.000000 55.38201 26.42381 ?        ?        0.000000       26.42381 
1 1 1 14  28 22 o 57.02576 25.98368 -82.98151      191.6457 -111.5511      218.1062 13.79778       401.4277 59.42115 27.31573 86.72622 38.72416 -27.30507      47.38892 
1 1 1 14  28 23 o 42.79935 21.14795 -391.3096      194.0022 -371.7966      217.0181 -468.9426      432.8694 47.22752 23.14324 70.68848 34.19178 -23.46096      41.28786 
1 1 1 14  28 24 o 89.07777 31.24720 261.2366       201.8558 252.1547       226.6131 296.1216       444.1352 88.99553 32.85994 102.2914 43.18253 -13.29591      54.26331 
1 1 1 14  28 25 o 50.54926 24.26543 -241.9901      208.3799 -177.4553      236.3537 -467.2346      441.5627 57.70035 27.15530 70.45867 34.18774 -12.75832      43.66019 
1 1 1 14  28 26 o 58.34760 26.95081 -105.1942      215.9507 -273.8539      247.0190 441.6315       444.7841 54.79114 26.33227 108.9519 44.33599 -54.16077      51.56616 
1 1 1 14  28 27 o 78.85150 31.31623 172.9161       216.2179 115.5435       249.7953 344.3282       431.7708 76.57677 32.35889 101.2980 42.65998 -24.72125      53.54411 
1 1 1 14  28 28 o 72.49328 30.88204 93.28069       230.6551 279.1721       269.0836 -421.6967      447.8697 90.50198 35.23836 70.36593 34.20915 20.13605       49.11220 
1 1 1 14  28 29 o 58.19856 26.77666 -76.56438      210.2084 -17.42385      244.9640 -241.7547      409.4038 65.97065 29.78676 71.89116 34.37696 -5.920509      45.48655 
1 1 1 14  28 30 o 57.62157 26.39937 -61.64998      201.3935 -34.01048      233.9927 -140.6340      395.5550 63.37727 28.81288 73.64953 34.80390 -10.27226      45.18288 
1 1 1 14  28 31 o 65.89042 28.33457 66.92419       197.5347 164.7416       224.4761 -268.7829      415.8553 76.41475 31.34346 70.29104 33.87899 6.123711       46.15408 
1 1 1 14  28 32 o 64.03824 28.32270 30.56102       209.6397 188.7370       236.3902 -552.0684      453.6860 78.62895 32.19821 65.43509 32.33406 13.19386       45.63131 
1 1 1 14  28 33 o 116.0113 31.21920 523.2894       217.0523 692.9209       245.8475 -76.26544      462.1968 133.6517 31.82370 77.80109 37.01386 55.85065       48.81366 
1 1 1 14  28 34 o 96.46807 32.15019 371.5215       213.0865 334.4259       242.0455 499.3162       449.2545 91.35901 33.91857 101.1652 43.09790 -9.806206      54.84431 
1 1 1 14  28 35 o 164.3231 23.16615 932.9290       217.0682 1071.438       262.9303 636.4622       384.6717 171.8861 26.96922 110.9083 42.40907 60.97782       50.25802 
1 1 1 14  28 36 o 59.39484 27.25404 -34.41471      215.7715 -137.3060      273.5048 135.1696       351.1306 60.46877 28.68284 78.76905 35.60461 -18.30028      45.72082 
1 1 1 14  29 0  o 317.5912 10.11155 2979.067       188.0974 0.000000       0.000000 2979.067       188.0974 ?        ?        317.5912 10.11155 0.000000       10.11155 
1 1 1 14  29 1  o 342.2639 12.95827 3475.069       259.6411 3862.599       427.7608 3249.009       326.7081 357.8573 20.46706 329.5742 16.95975 28.28314       26.58070 
1 1 1 14  29 2  o 188.3440 12.06270 1053.646       132.5434 0.000000       0.000000 1053.646       132.5434 ?        ?        188.3440 12.06270 0.000000       12.06270 
1 1 1 14  29 3  o 201.7412 10.71000 1205.205       126.2629 1587.212       352.3329 1148.918       135.2455 226.2054 27.09681 196.7587 11.77415 29.44675       29.54433 
1 1 1 14  29 4  f 175.1038 11.66762 910.6665       119.1361 807.5673       338.0435 925.2881       127.3041 156.4380 37.36073 176.3691 12.38624 -19.93118      39.36043 
1 1 1 14  29 5  f 153.6255 13.02848 704.3876       116.2777 902.1509       357.0985 680.9325       122.9799 165.2448 37.68553 150.8081 14.06687 14.43668       40.22532 
1 1 1 14  29 6  o 135.5916 14.72008 552.8719       115.1799 863.1560       357.4136 516.9143       121.6709 161.1102 38.37703 130.7036 16.22054 30.40656       41.66416 
1 1 1 14  29 7  o 377.6237 8.891081 4203.935       196.9084 4800.431       476.1814 4080.898       216.2648 398.5290 20.44162 371.6825 9.930072 26.84650       22.72589 
1 1 1 14  29 8  f 127.9528 16.27007 496.3068       119.3355 210.9387       405.1974 523.4097       124.8739 103.7551 42.28117 131.3723 16.57582 -27.61725      45.41426 
1 1 1 14  29 9  o 257.3488 9.816836 1958.276       147.8929 1136.095       400.3794 2088.182       159.1482 184.7390 38.21572 265.6652 10.23362 -80.92627      39.56221 
1 1 1 14  29 10 o 316.1349 9.152097 2951.153       169.5065 2649.783       393.1898 3019.949       187.8602 294.1525 22.97393 319.5779 10.03566 -25.42538      25.07022 
1 1 1 14  29 11 o 221.0691 26.98056 1530.276       342.5690 1530.276       342.5690 0.000000       0.000000 221.0691 26.98056 ?        ?        0.000000       26.98056 
1 1 1 14  29 12 o 363.9497 18.47239 3997.014       392.9998 3997.014       392.9998 0.000000       0.000000 363.9497 18.47239 ?        ?        0.000000       18.47239 
1 1 1 14  29 13 o 301.4722 20.30605 2764.292       356.9295 2764.292       356.9295 0.000000       0.000000 301.4722 20.30605 ?        ?        0.000000       20.30605 
1 1 1 14  29 14 o 220.0473 26.98120 1523.180       340.9212 1523.180       340.9212 0.000000       0.000000 220.0473 26.98120 ?        ?        0.000000       26.98120 
1 1 1 14  29 15 o 286.7625 21.93730 2524.432       366.1392 2524.432       366.1392 0.000000       0.000000 286.7625 21.93730 ?        ?        0.000000       21.93730 
1 1 1 14  29 16 o 267.1290 20.86985 2187.969       324.3638 2187.969       324.3638 0.000000       0.000000 267.1290 20.86985 ?        ?        0.000000       20.86985 
1 1 1 14  29 17 o 155.5293 33.19258 808.9955       293.5387 808.9955       293.5387 0.000000       0.000000 155.5293 33.19258 ?        ?        0.000000       33.19258 
1 1 1 14  29 18 o 61.22040 28.92542 -252.6203      273.0009 -252.6203      273.0009 0.000000       0.000000 61.22040 28.92542 ?        ?        0.000000       28.92542 
1 1 1 14  29 19 f 53.97441 25.88143 -285.9738      235.6158 -299.3948      280.8754 -254.1010      432.8441 60.04338 28.64626 79.35959 37.15755 -19.31621      46.91793 
1 1 1 14  29 20 o 93.85303 32.47345 285.1730       217.6078 230.9133       254.4487 432.9142       419.8677 89.96340 34.46882 113.6261 44.08043 -23.66266      55.95698 
1 1 1 14  29 21 o 145.2300 29.82000 716.6302       245.4775 716.6302       245.4775 0.000000       0.000000 145.2300 29.82000 ?        ?        0.000000       29.82000 
1 1 1 14  29 22 o 53.95456 25.32454 -159.9794      203.1655 -173.1939      230.6779 -114.2823      428.9689 57.48333 26.98209 81.89288 37.88221 -24.40955      46.50908 
1 1 1 14  29 23 o 112.6513 30.51182 446.3444       206.5225 517.9025       237.7198 226.1246       417.0270 120.0304 32.82910 96.52007 41.33168 23.51030       52.78312 
1 1 1 14  29 24 o 131.4573 29.52077 603.0195       222.0125 728.5125       255.4052 215.0264       449.0884 143.5487 31.22789 96.57638 42.11977 46.97231       52.43335 
1 1 1 14  29 25 o 56.90445 26.33328 -107.3879      207.5830 -58.50969      239.4089 -255.4411      416.6696 64.06690 29.13346 73.95959 35.17414 -9.892685      45.67251 
1 1 1 14  29 26 f 51.15087 24.38086 -198.0519      202.4720 -193.5716      233.7241 -211.5252      405.3108 55.95333 26.53339 73.77419 34.97152 -17.82087      43.89793 
1 1 1 14  29 27 o 58.81135 27.15491 -89.42462      218.9379 -147.8291      257.5728 62.64242       415.6183 60.75576 28.51609 84.31673 38.35890 -23.56097      47.79720 
1 1 1 14  29 28 o 68.06293 29.37137 64.13747       213.6914 107.1723       246.0950 -67.76239      430.8387 74.31673 31.78550 79.33857 37.12299 -5.021843      48.87161 
1 1 1 14  29 29 o 69.04334 29.20959 93.06454       203.9308 101.5407       235.0025 67.21799       410.3675 72.49278 31.03443 82.70364 37.81285 -10.21086      48.91776 
1 1 1 14  29 30 o 76.10242 31.14837 164.7567       221.0909 413.3906       256.1998 -560.5172      437.5720 101.2165 35.22367 64.40160 31.81067 36.81492       47.46183 
1 1 1 14  29 31 o 229.6071 17.09538 1676.790       228.5530 1828.171       271.3665 1307.333       423.9384 236.8049 19.71834 170.5445 42.53145 66.26036       46.88003 
1 1 1 14  29 32 o 57.52874 26.52999 -61.47010      208.0532 -76.85442      233.9342 -3.255017      455.0639 59.78523 27.76596 79.73332 37.57253 -19.94809      46.71877 
1 1 1 14  29 33 o 166.3138 24.45265 964.5048       231.3942 803.1362       266.0348 1465.932       468.9570 142.9601 32.47240 172.8225 45.61068 -29.86244      55.98921 
1 1 1 14  29 34 o 144.7440 27.74942 773.0015       226.9925 1020.926       285.9095 350.2669       373.3385 162.6814 31.09999 91.38817 39.11985 71.29324       49.97571 
1 1 1 14  29 35 o 40.19398 20.16535 -492.6357      206.6179 -505.3119      260.8727 -471.2995      338.4473 47.01330 23.44612 56.17242 27.78802 -9.159119      36.35787 
1 1 1 14  30 0  o 421.1112 10.95429 5247.556       270.3103 6097.301       511.3751 4918.062       318.4339 449.6590 19.43715 406.7664 13.36638 42.89252       23.58947 
1 1 1 14  30 1  o 245.1846 10.24654 1778.919       147.0154 2412.817       392.7263 1675.611       158.5432 280.2316 24.13063 237.6867 11.40674 42.54495       26.69084 
1 1 1 14  30 2  o 223.2555 13.26531 1484.878       172.9051 1251.615       370.7169 1549.729       195.4680 196.8943 33.28932 227.6885 14.71691 -30.79416      36.39734 
1 1 1 14  30 3  o 180.3919 12.40103 969.1634       130.3992 1724.651       369.2912 861.5480       139.3775 234.9866 27.30415 169.6308 14.13841 65.35582       30.74754 
1 1 1 14  30 4  o 294.0784 9.033801 2553.378       155.6212 2689.746       385.4168 2526.815       170.1041 296.8008 22.30509 292.3346 9.936096 4.466248       24.41809 
1 1 1 14  30 5  o 127.4071 15.90560 491.8856       116.2670 757.1085       367.2391 462.3398       122.5721 149.1190 40.81143 123.0526 17.47523 26.06642       44.39546 
1 1 1 14  30 6  o 97.84052 21.17183 300.4774       117.9528 36.90872       349.9668 334.2546       125.2831 87.27013 37.62324 103.2502 21.39336 -15.98009      43.28030 
1 1 1 14  30 7  o 360.0866 9.100986 3828.520       192.0427 3693.891       430.5599 3861.955       214.5686 348.4609 21.16813 361.3590 10.13458 -12.89810      23.46911 
1 1 1 14  30 8  o 169.8103 13.10631 861.6976       129.5161 614.0235       406.7006 889.6500       136.6293 134.5675 44.40176 172.4307 13.62129 -37.86314      46.44411 
1 1 1 14  30 9  o 233.5847 10.87126 1618.317       148.5190 1189.902       419.8076 1679.608       158.7879 187.5869 39.41388 237.8384 11.41708 -50.25148      41.03418 
1 1 1 14  30 10 o 377.6888 9.390492 4212.813       208.0047 3250.229       435.9765 4496.494       236.6786 325.3386 22.99773 389.7640 10.36316 -64.42545      25.22480 
1 1 1 14  30 11 o 119.1613 41.09627 460.9996       348.4059 460.9996       348.4059 0.000000       0.000000 119.1613 41.09627 ?        ?        0.000000       41.09627 
1 1 1 14  30 12 o 129.2554 37.84017 565.6563       305.1086 565.6563       305.1086 0.000000       0.000000 129.2554 37.84017 ?        ?        0.000000       37.84017 
1 1 1 14  30 13 o 73.90487 33.26451 -87.21093      302.7596 -87.21093      302.7596 0.000000       0.000000 73.90487 33.26451 ?        ?        0.000000       33.26451 
1 1 1 14  30 14 o 245.6593 23.49059 1875.680       334.3196 1875.680       334.3196 0.000000       0.000000 245.6593 23.49059 ?        ?        0.000000       23.49059 
1 1 1 14  30 15 o 270.2548 21.03929 2248.156       330.8431 2248.156       330.8431 0.000000       0.000000 270.2548 21.03929 ?        ?        0.000000       21.03929 
1 1 1 14  30 16 o 181.4324 28.43214 1066.673       292.6036 1066.673       292.6036 0.000000       0.000000 181.4324 28.43214 ?        ?        0.000000       28.43214 
1 1 1 14  30 17 o 73.21661 32.22271 -6.753466      268.1981 -6.753466      268.1981 0.000000       0.000000 73.21661 32.22271 ?        ?        0.000000       32.22271 
1 1 1 14  30 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  30 19 o 241.9542 17.38659 1798.789       245.0715 2144.548       302.0693 1132.899       419.1997 262.5788 19.76035 173.5213 41.71008 89.05751       46.15412 
1 1 1 14  30 20 o 97.30404 32.55470 323.6833       218.4483 231.7424       256.7928 564.4459       415.5500 88.94338 34.48191 120.8537 44.51951 -31.91029      56.31153 
1 1 1 14  30 21 o 47.20448 22.89047 -281.4756      197.1672 -136.5477      227.1161 -724.8644      397.2502 58.67463 27.28696 60.16730 29.82476 -1.492680      40.42393 
1 1 1 14  30 22 o 154.0948 24.41270 782.2154       213.2800 776.8441       246.9086 798.0038       423.3153 150.2548 29.07048 137.4536 45.29718 12.80121       53.82312 
1 1 1 14  30 23 o 108.1998 32.44829 424.4409       222.1802 489.6102       251.3753 191.7543       474.9927 114.8226 34.53263 96.20986 42.58810 18.61273       54.82927 
1 1 1 14  30 24 o 78.11955 31.55084 158.4502       223.3056 404.5211       254.8395 -655.3602      463.4450 104.1837 35.16439 66.91160 32.99148 37.27215       48.21796 
1 1 1 14  30 25 o 68.00126 29.11509 64.38145       206.8792 84.17254       235.0681 -3.610122      435.6987 72.41433 31.02062 83.47073 38.45697 -11.05640      49.40868 
1 1 1 14  30 26 o 64.23083 28.16926 26.82709       203.3353 200.3406       231.2472 -564.5925      426.9311 81.24232 32.34701 64.62914 31.82741 16.61317       45.37965 
1 1 1 14  30 27 f 73.68649 29.85717 144.5366       200.7081 -76.72372      223.9731 1046.662       452.2490 59.84722 27.57294 148.0929 46.64514 -88.24565      54.18520 
1 1 1 14  30 28 o 83.85488 30.46732 247.5577       193.6064 229.1555       214.4469 328.6696       450.2224 82.38363 31.62362 96.32039 42.08728 -13.93676      52.64402 
1 1 1 14  30 29 o 68.29781 29.28426 84.13133       209.8468 72.77211       243.1018 117.3397       415.6595 70.44389 30.85001 83.96365 38.26125 -13.51976      49.14922 
1 1 1 14  30 30 o 255.1099 16.01165 2050.723       238.3517 2236.146       286.2340 1631.341       430.4713 263.2115 18.66344 198.2209 38.41655 64.99060       42.71013 
1 1 1 14  30 31 o 67.24933 29.04087 81.23472       209.2002 225.3910       238.1773 -405.4299      437.6213 81.12689 32.64838 66.88042 32.79256 14.24648       46.27384 
1 1 1 14  30 32 o 48.98746 23.81718 -264.3563      217.1801 -106.4201      256.3796 -665.6541      408.6732 60.49991 28.41307 58.58904 29.23891 1.910873       40.77028 
1 1 1 14  30 33 o 93.96169 32.45211 359.9989       217.2825 296.5569       273.0439 469.5479       358.7964 86.76946 34.94338 99.25092 40.02590 -12.48145      53.13297 
1 1 1 14  30 34 o 74.27386 30.58785 171.8976       214.8970 348.1403       281.1642 -75.69495      333.2524 90.85992 35.82903 68.10635 32.11178 22.75356       48.11326 
1 1 1 14  30 35 o 158.9485 24.40768 896.8151       220.2657 1113.178       293.7006 618.6902       332.9916 169.2890 30.71260 111.1839 40.01660 58.10506       50.44395 
1 1 1 14  31 0  o 264.0923 27.31333 2184.147       416.9413 2184.147       416.9413 0.000000       0.000000 264.0923 27.31333 ?        ?        0.000000       27.31333 
1 1 1 14  31 1  o 116.5998 21.19998 424.2663       139.6332 0.000000       0.000000 424.2663       139.6332 ?        ?        116.5998 21.19998 0.000000       21.19998 
1 1 1 14  31 2  o 485.6983 9.708911 6969.324       276.5589 6880.766       517.9001 7004.650       327.1012 477.6143 18.52432 486.2134 11.47109 -8.599091      21.78845 
1 1 1 14  31 3  o 78.53893 24.35309 190.1217       123.7791 517.4740       345.1590 141.8095       132.5989 124.7554 40.89159 71.57542 25.30720 53.17995       48.08926 
1 1 1 14  31 4  o 74.29024 23.21123 168.7582       112.2112 198.5027       358.0310 165.5182       118.1646 98.27014 39.85580 74.08755 23.90017 24.18259       46.47261 
1 1 1 14  31 5  o 71.79383 23.63862 153.1367       115.2922 262.6533       358.8210 140.5286       121.7479 102.9998 40.51867 70.29716 24.29129 32.70267       47.24224 
1 1 1 14  31 6  o 152.3771 14.77033 699.1572       130.3424 335.2740       375.0221 749.1528       139.0085 109.5439 41.87712 157.6528 15.22366 -48.10892      44.55842 
1 1 1 14  31 7  o 187.4163 12.47711 1047.767       136.3614 417.0800       390.6096 1135.296       145.5164 116.7000 43.13222 195.0367 12.79232 -78.33669      44.98924 
1 1 1 14  31 8  o 237.7875 10.88033 1678.074       151.3315 1282.035       363.0450 1761.359       166.4849 198.6309 32.27137 243.4050 11.69682 -44.77408      34.32574 
1 1 1 14  31 9  o 317.3152 9.905610 2980.569       184.1155 2303.955       389.5396 3175.204       208.9252 272.2652 24.66269 327.1991 10.90273 -54.93393      26.96512 
1 1 1 14  31 10 o 222.0320 14.15716 1477.303       183.3893 1270.445       371.9277 1543.750       210.7959 196.5237 33.46786 226.3325 15.98332 -29.80881      37.08860 
1 1 1 14  31 11 o 297.7478 22.59579 2737.661       391.6264 2737.661       391.6264 0.000000       0.000000 297.7478 22.59579 ?        ?        0.000000       22.59579 
1 1 1 14  31 12 o 121.8411 41.17982 505.8398       349.4875 505.8398       349.4875 0.000000       0.000000 121.8411 41.17982 ?        ?        0.000000       41.17982 
1 1 1 14  31 13 o 130.7239 39.23067 598.5804       324.6827 598.5804       324.6827 0.000000       0.000000 130.7239 39.23067 ?        ?        0.000000       39.23067 
1 1 1 14  31 14 o 103.2749 37.98659 331.8216       302.3513 331.8216       302.3513 0.000000       0.000000 103.2749 37.98659 ?        ?        0.000000       37.98659 
1 1 1 14  31 15 o 226.4038 23.55528 1617.412       308.2007 1617.412       308.2007 0.000000       0.000000 226.4038 23.55528 ?        ?        0.000000       23.55528 
1 1 1 14  31 16 o 154.6127 32.48547 819.4073       285.1888 819.4073       285.1888 0.000000       0.000000 154.6127 32.48547 ?        ?        0.000000       32.48547 
1 1 1 14  31 17 o 137.4406 35.01686 673.2300       283.0137 673.2300       283.0137 0.000000       0.000000 137.4406 35.01686 ?        ?        0.000000       35.01686 
1 1 1 14  31 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  31 19 o 106.8034 33.79339 407.8587       237.1226 407.8587       237.1226 0.000000       0.000000 106.8034 33.79339 ?        ?        0.000000       33.79339 
1 1 1 14  31 20 f 109.8233 31.20811 428.5267       210.4384 455.3482       245.9215 355.1760       406.6840 111.6472 34.27546 103.5621 42.29961 8.085007       54.44322 
1 1 1 14  31 21 o 278.6094 15.04934 2377.211       244.9901 2534.617       291.0720 1994.761       453.7082 285.6367 17.45884 236.3498 33.68400 49.28693       37.93973 
1 1 1 14  31 22 o 93.45776 34.55265 301.0479       250.7040 301.0479       250.7040 0.000000       0.000000 93.45776 34.55265 ?        ?        0.000000       34.55265 
1 1 1 14  31 23 o 70.22737 30.18304 67.13795       223.9162 285.8699       261.1625 -539.8614      435.0597 91.55132 34.95935 66.78396 32.73519 24.76736       47.89310 
1 1 1 14  31 24 o 102.5350 31.52604 389.0885       207.9523 479.2235       237.6295 94.32639       429.7239 112.2097 33.53574 86.64416 39.25412 25.56550       51.62878 
1 1 1 14  31 25 o 68.25386 29.28221 71.31580       210.0410 43.70168       247.8606 141.6637       395.6100 70.03035 30.89244 86.20918 38.47134 -16.17883      49.33951 
1 1 1 14  31 26 o 77.46210 30.36855 184.6277       200.9740 140.4493       230.7247 323.5625       409.1616 75.35157 31.42095 95.74361 40.96827 -20.39204      51.63018 
1 1 1 14  31 27 o 54.26003 25.25498 -99.92496      195.1865 -59.62311      212.6061 -316.0702      492.3638 58.96820 27.05647 74.54726 36.15500 -15.57905      45.15791 
1 1 1 14  31 28 o 87.40694 32.13443 284.0131       216.3248 188.2745       236.9756 762.6168       529.8442 78.70064 32.23401 116.7583 48.05108 -38.05769      57.86137 
1 1 1 14  31 29 o 64.40150 28.43826 38.53017       210.5508 52.91926       236.0500 -17.48441      465.7338 67.86517 30.03270 80.09532 37.82441 -12.23016      48.29751 
1 1 1 14  31 30 o 56.81679 26.11955 -53.20961      199.4499 19.23692       229.1624 -279.5084      405.0192 64.70039 29.04590 67.68110 32.81712 -2.980705      43.82497 
1 1 1 14  31 31 o 51.10395 24.56799 -203.9098      215.4176 -7.290933      260.1027 -633.3036      384.3794 65.75507 30.07902 57.05440 28.45474 8.700672       41.40556 
1 1 1 14  31 32 o 58.47044 26.75442 -30.77734      205.9778 -291.7057      265.5021 363.6838       326.4446 53.76333 26.18305 91.91685 37.76040 -38.15353      45.94997 
1 1 1 14  31 33 o 192.9511 18.86188 1224.288       210.7205 1231.193       294.4603 1217.040       301.6782 181.8011 28.55756 179.1826 29.75055 2.618546       41.23869 
1 1 1 14  32 0  o 183.7420 14.29679 1013.259       152.8510 0.000000       0.000000 1013.259       152.8510 ?        ?        183.7420 14.29679 0.000000       14.29679 
1 1 1 14  32 1  o 292.3491 10.14485 2531.564       173.6758 2024.220       386.3946 2660.014       194.4223 254.1139 26.30702 299.3923 11.09192 -45.27838      28.54978 
1 1 1 14  32 2  o 84.29917 24.22671 224.7138       126.1215 765.7343       363.8597 150.8361       134.4571 148.5486 40.61020 72.92054 25.50815 75.62807       47.95679 
1 1 1 14  32 3  o 188.9559 12.55543 1065.897       138.3477 719.9790       373.6362 1120.859       148.9335 143.6140 41.82708 193.6098 13.19526 -49.99576      43.85909 
1 1 1 14  32 4  o 65.55406 23.72849 113.8067       117.2869 482.0000       352.0243 67.83062       124.3944 120.6206 41.31964 60.13074 23.79410 60.48981       47.68094 
1 1 1 14  32 5  o 101.9589 21.47683 328.2876       124.3619 914.1373       373.2067 255.1098       131.9003 162.6658 39.51641 89.39799 24.45519 73.26778       46.47153 
1 1 1 14  32 6  o 105.6469 22.55068 354.2799       135.4677 425.3839       375.5342 343.6431       145.2473 115.9089 42.38387 103.5384 24.33380 12.37049       48.87255 
1 1 1 14  32 7  o 163.8543 15.61375 812.1947       148.2312 645.6718       385.7423 841.0450       160.5592 135.3894 43.13315 166.4119 16.67574 -31.02246      46.24445 
1 1 1 14  32 8  f 301.9333 10.41354 2704.673       184.1235 2975.967       442.7178 2647.934       202.4641 308.7292 24.65586 298.3313 11.59381 10.39789       27.24570 
1 1 1 14  32 9  o 218.0110 13.81717 1425.969       175.7550 0.000000       0.000000 1425.969       175.7550 ?        ?        218.0110 13.81717 0.000000       13.81717 
1 1 1 14  32 10 o 127.6958 20.08110 508.7901       145.4292 554.0207       384.4510 501.2371       157.1032 125.7928 43.17797 125.9776 22.06761 -0.1847610     48.49038 
1 1 1 14  32 11 o 157.2600 40.72619 887.5193       378.5654 887.5193       378.5654 0.000000       0.000000 157.2600 40.72619 ?        ?        0.000000       40.72619 
1 1 1 14  32 12 o 164.8640 38.10021 961.0170       360.9964 961.0170       360.9964 0.000000       0.000000 164.8640 38.10021 ?        ?        0.000000       38.10021 
1 1 1 14  32 13 o 120.3824 39.06559 518.2573       315.4154 518.2573       315.4154 0.000000       0.000000 120.3824 39.06559 ?        ?        0.000000       39.06559 
1 1 1 14  32 14 o 171.8743 31.70518 1004.908       307.8177 1004.908       307.8177 0.000000       0.000000 171.8743 31.70518 ?        ?        0.000000       31.70518 
1 1 1 14  32 15 o 140.2598 35.27450 705.2787       289.8418 705.2787       289.8418 0.000000       0.000000 140.2598 35.27450 ?        ?        0.000000       35.27450 
1 1 1 14  32 16 o 257.6858 19.82631 2077.947       297.3263 2077.947       297.3263 0.000000       0.000000 257.6858 19.82631 ?        ?        0.000000       19.82631 
1 1 1 14  32 17 o 58.55489 27.95468 -263.2315      268.4107 -263.2315      268.4107 0.000000       0.000000 58.55489 27.95468 ?        ?        0.000000       27.95468 
1 1 1 14  32 18 o 67.00083 30.60096 -75.94516      267.8315 -75.94516      267.8315 0.000000       0.000000 67.00083 30.60096 ?        ?        0.000000       30.60096 
1 1 1 14  32 19 o 304.9755 17.28684 2885.216       307.9279 2885.216       307.9279 0.000000       0.000000 304.9755 17.28684 ?        ?        0.000000       17.28684 
1 1 1 14  32 20 o 189.2228 20.20794 1141.515       220.7898 1405.160       255.1750 356.2208       440.3968 209.4026 21.06394 103.0457 43.22070 106.3569       48.08033 
1 1 1 14  32 21 o 113.6523 31.29292 470.3686       215.1712 334.9078       253.7631 816.9255       405.8905 96.40764 34.90187 136.9911 44.30457 -40.58342      56.40067 
1 1 1 14  32 22 o 102.7511 32.34106 391.9711       217.4432 432.7115       262.0415 301.8920       389.6456 105.9479 35.65759 96.15542 40.51167 9.792458       53.96905 
1 1 1 14  32 23 o 79.66582 33.30365 162.3615       260.1694 162.3615       260.1694 0.000000       0.000000 79.66582 33.30365 ?        ?        0.000000       33.30365 
1 1 1 14  32 24 o 62.61605 27.98706 -3.554146      210.2430 31.59453       249.0820 -90.64334      392.0758 69.17327 30.71832 75.46155 35.34274 -6.288277      46.82653 
1 1 1 14  32 25 o 63.24846 27.96356 20.04585       204.1831 -38.98648      232.8314 216.6235       424.8774 62.74928 28.61022 89.98609 40.03096 -27.23681      49.20388 
1 1 1 14  32 26 o 54.16574 25.39354 -119.4879      203.2402 -157.6046      227.2038 33.15147       454.6648 55.50935 26.27502 82.59315 38.47686 -27.08379      46.59233 
1 1 1 14  32 27 o 69.46288 29.75200 96.12224       216.1772 177.6638       246.3793 -176.6473      450.6223 78.05504 32.50261 74.60178 35.77781 3.453262       48.33706 
1 1 1 14  32 28 o 73.65116 30.36687 154.7722       212.1310 147.9871       245.4077 174.8260       421.8985 75.15259 31.92881 85.14643 38.70164 -9.993843      50.17236 
1 1 1 14  32 29 o 51.84876 24.59171 -146.6328      200.9560 -265.9962      234.6781 181.4904       389.0947 51.30843 24.90222 83.71580 37.69275 -32.40737      45.17592 
1 1 1 14  32 30 o 68.70982 29.31111 107.5892       208.2970 236.1304       260.2242 -121.6477      347.5110 81.86475 33.68106 67.81077 32.21339 14.05399       46.60597 
1 1 1 14  32 31 o 51.26559 24.24248 -127.2041      192.5194 97.32059       265.9416 -374.4242      279.0590 71.79070 31.81827 52.63713 25.88452 19.15356       41.01720 
1 1 1 14  32 32 o 50.50655 24.03530 -148.2219      195.1724 22.02901       278.1296 -313.3929      273.9488 68.15694 31.14977 53.84072 26.30280 14.31622       40.76942 
1 1 1 14  33 0  o 245.6219 11.04784 1794.189       158.7384 1444.110       388.2952 1864.436       173.9370 209.3017 32.70211 250.1183 11.89163 -40.81660      34.79711 
1 1 1 14  33 1  f 399.3495 17.22979 4823.961       402.5877 0.000000       0.000000 4823.961       402.5877 ?        ?        399.3495 17.22979 0.000000       17.22979 
1 1 1 14  33 2  o 224.2637 12.49275 1502.480       163.6619 0.000000       0.000000 1502.480       163.6619 ?        ?        224.2637 12.49275 0.000000       12.49275 
1 1 1 14  33 3  o 344.4766 9.509332 3514.434       191.9307 3681.010       439.8304 3475.253       213.3120 345.4059 21.82384 342.1223 10.64418 3.283600       24.28124 
1 1 1 14  33 4  o 58.96418 23.86622 55.62683       128.0869 128.7874       360.7699 45.07470       137.0130 92.05573 38.89336 59.22547 24.41061 32.83027       45.91919 
1 1 1 14  33 5  o 33.75410 16.78448 -311.2552      129.7121 -297.9797      364.2107 -313.1837      138.8140 71.06013 33.52454 35.60574 17.64627 35.45439       37.88516 
1 1 1 14  33 6  o 122.3836 20.27835 469.1795       140.4556 164.5950       354.8958 525.7469       152.9432 93.58169 38.99185 129.4832 20.84804 -35.90153      44.21544 
1 1 1 14  33 7  o 145.2312 17.02808 646.3024       142.2849 649.5843       354.5990 645.6725       155.3386 134.4130 41.13800 144.5075 18.77223 -10.09454      45.21870 
1 1 1 14  33 8  o 61.18939 24.78159 62.93467       138.1939 59.36685       343.3008 63.62460       150.9655 85.33872 37.02650 63.18375 25.78529 22.15497       45.12032 
1 1 1 14  33 9  o 151.6047 20.18351 718.1382       175.0023 442.8409       325.3240 830.2404       207.5976 113.3221 39.67494 162.0613 22.44372 -48.73922      45.58313 
1 1 1 14  33 10 o 93.61499 23.89441 286.1740       131.6124 897.3373       340.2225 178.6203       142.7240 158.6871 37.20683 76.57788 26.30735 82.10927       45.56781 
1 1 1 14  33 11 o 122.9019 39.74199 554.0690       326.6038 554.0690       326.6038 0.000000       0.000000 122.9019 39.74199 ?        ?        0.000000       39.74199 
1 1 1 14  33 12 o 160.4113 35.02128 912.0020       320.2094 912.0020       320.2094 0.000000       0.000000 160.4113 35.02128 ?        ?        0.000000       35.02128 
1 1 1 14  33 13 o 178.2321 29.30853 1071.965       295.7195 1071.965       295.7195 0.000000       0.000000 178.2321 29.30853 ?        ?        0.000000       29.30853 
1 1 1 14  33 14 o 73.09497 32.48049 0.7624308      278.9243 0.7624308      278.9243 0.000000       0.000000 73.09497 32.48049 ?        ?        0.000000       32.48049 
1 1 1 14  33 15 o 136.4636 34.93437 681.9296       280.7499 681.9296       280.7499 0.000000       0.000000 136.4636 34.93437 ?        ?        0.000000       34.93437 
1 1 1 14  33 16 o 125.0491 36.94097 592.9391       289.6726 592.9391       289.6726 0.000000       0.000000 125.0491 36.94097 ?        ?        0.000000       36.94097 
1 1 1 14  33 17 o 55.79981 26.87486 -295.1980      260.5501 -295.1980      260.5501 0.000000       0.000000 55.79981 26.87486 ?        ?        0.000000       26.87486 
1 1 1 14  33 18 o 119.2974 35.96880 542.0038       272.4697 542.0038       272.4697 0.000000       0.000000 119.2974 35.96880 ?        ?        0.000000       35.96880 
1 1 1 14  33 19 o 136.6805 33.36007 691.2769       265.0300 691.2769       265.0300 0.000000       0.000000 136.6805 33.36007 ?        ?        0.000000       33.36007 
1 1 1 14  33 20 o 63.48497 29.05362 -64.46833      243.0315 -64.46833      243.0315 0.000000       0.000000 63.48497 29.05362 ?        ?        0.000000       29.05362 
1 1 1 14  33 21 o 80.42821 31.38151 201.9051       213.7613 199.0918       250.7251 209.3922       409.0269 82.14486 33.33914 90.59857 39.83574 -8.453712      51.94597 
1 1 1 14  33 22 o 102.4953 32.33374 398.7889       217.2285 445.5319       264.3074 301.4930       381.3277 105.8358 35.81138 94.15541 39.89286 11.68043       53.60873 
1 1 1 14  33 23 o 78.46011 32.07454 176.3231       234.0822 176.3231       234.0822 0.000000       0.000000 78.46011 32.07454 ?        ?        0.000000       32.07454 
1 1 1 14  33 24 o 221.5709 17.88433 1565.572       230.4268 1507.540       270.4409 1719.315       440.1869 213.1959 21.94229 206.8443 37.67390 6.351624       43.59801 
1 1 1 14  33 25 o 95.08831 32.17387 350.6784       213.3407 342.4742       242.5509 378.7192       448.4131 93.46484 34.08033 96.96829 42.19223 -3.503448      54.23701 
1 1 1 14  33 26 o 61.89986 27.80470 2.146045       210.3316 91.62382       234.8362 -360.7246      472.9154 70.48346 30.60213 70.76978 34.57007 -0.2863159     46.16904 
1 1 1 14  33 27 o 72.76867 30.57398 140.2211       220.9634 107.7634       254.6171 239.2362       444.7125 72.64511 31.69822 88.29146 39.97337 -15.64635      51.01615 
1 1 1 14  33 28 o 56.22483 26.15218 -80.98689      208.7595 -63.92658      250.0362 -120.2473      379.3036 61.85997 28.72134 70.49310 33.53531 -8.633133      44.15351 
1 1 1 14  33 29 o 109.9650 31.93005 489.4496       218.0335 619.2704       273.3653 262.4727       361.4617 119.0984 36.05362 85.94890 37.62954 33.14948       52.11378 
1 1 1 14  33 30 o 67.90294 29.03426 105.7796       205.2333 -103.9670      272.3867 381.2279       312.1465 61.60091 29.04055 92.94632 37.38599 -31.34541      47.33989 
1 1 1 14  33 31 o 67.28383 28.50894 109.9264       194.7621 408.8999       277.0804 -182.0500      273.8188 95.82526 36.14343 58.36787 27.96498 37.45739       45.69888 
1 1 1 14  34 0  o 112.8988 19.88717 401.4411       126.8695 404.4834       362.5382 401.0165       135.4330 110.9691 41.45034 112.2933 21.34461 -1.324188      46.62320 
1 1 1 14  34 1  o 136.7306 21.12317 588.9799       163.9324 473.2635       368.4996 617.5311       183.0424 116.8453 42.09076 139.1007 23.25787 -22.25534      48.08909 
1 1 1 14  34 2  o 106.1883 20.96592 358.9119       125.9335 768.0295       360.2932 301.9730       134.4115 144.8777 40.72072 96.35137 23.90213 48.52628       47.21747 
1 1 1 14  34 3  o 95.66743 22.83444 296.2497       126.3331 0.000000       0.000000 296.2497       126.3331 ?        ?        95.66743 22.83444 0.000000       22.83444 
1 1 1 14  34 4  o 40.78275 19.36463 -140.7684      125.2857 -327.3046      371.0613 -116.7667      133.1022 69.83382 33.20665 44.02940 20.61202 25.80442       39.08372 
1 1 1 14  34 5  o 66.43353 24.44963 119.0132       125.2848 -443.8880      365.6089 193.9067       133.3592 65.20903 31.51264 78.38463 25.39907 -13.17560      40.47419 
1 1 1 14  34 6  o 64.18252 25.08773 92.55199       136.8167 -338.4661      362.5664 164.1189       147.7393 68.16551 32.52826 74.73763 26.68359 -6.572113      42.07257 
1 1 1 14  34 7  o 121.7299 20.87868 471.6131       143.6928 83.43264       354.5850 547.8863       157.1772 86.31535 37.53852 131.2879 21.13032 -44.97258      43.07704 
1 1 1 14  34 8  o 51.25726 22.79389 -30.67115      137.6284 84.01933       336.5135 -53.70853      150.8187 84.51814 36.66463 51.86748 23.39989 32.65066       43.49540 
1 1 1 14  34 9  o 147.5918 16.98663 674.3476       144.3565 465.5497       341.7782 719.6840       159.2594 112.9949 40.55693 151.9364 18.23685 -38.94152      44.46849 
1 1 1 14  34 10 o 172.7828 16.75794 921.8371       167.6834 1333.427       352.0528 801.0632       190.7049 196.8723 31.55673 158.7267 21.00100 38.14558       37.90606 
1 1 1 14  34 11 o 139.0672 39.38582 740.5724       335.7408 740.5724       335.7408 0.000000       0.000000 139.0672 39.38582 ?        ?        0.000000       39.38582 
1 1 1 14  34 12 o 138.0702 37.69809 720.8717       313.7756 720.8717       313.7756 0.000000       0.000000 138.0702 37.69809 ?        ?        0.000000       37.69809 
1 1 1 14  34 13 o 139.8816 35.55736 725.6635       292.2851 725.6635       292.2851 0.000000       0.000000 139.8816 35.55736 ?        ?        0.000000       35.55736 
1 1 1 14  34 14 o 63.17973 29.36865 -132.1677      262.6232 -132.1677      262.6232 0.000000       0.000000 63.17973 29.36865 ?        ?        0.000000       29.36865 
1 1 1 14  34 15 o 126.9749 35.05049 605.1577       269.5612 605.1577       269.5612 0.000000       0.000000 126.9749 35.05049 ?        ?        0.000000       35.05049 
1 1 1 14  34 16 o 81.41420 34.78579 131.5272       294.2064 131.5272       294.2064 0.000000       0.000000 81.41420 34.78579 ?        ?        0.000000       34.78579 
1 1 1 14  34 17 o 134.4058 35.10971 686.7897       279.7374 686.7897       279.7374 0.000000       0.000000 134.4058 35.10971 ?        ?        0.000000       35.10971 
1 1 1 14  34 18 o 240.1687 20.73038 1858.567       289.1388 1858.567       289.1388 0.000000       0.000000 240.1687 20.73038 ?        ?        0.000000       20.73038 
1 1 1 14  34 19 o 59.31442 27.97598 -163.5507      253.3310 -163.5507      253.3310 0.000000       0.000000 59.31442 27.97598 ?        ?        0.000000       27.97598 
1 1 1 14  34 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  34 21 o 51.89766 24.91784 -223.8075      219.9916 -230.5312      256.2987 -204.9904      428.7665 56.44014 27.04514 73.79482 35.25815 -17.35468      44.43620 
1 1 1 14  34 22 o 180.7354 23.07749 1098.690       239.0419 1140.616       284.1117 997.0862       442.2888 179.1523 27.95284 142.0124 46.27277 37.13986       54.06043 
1 1 1 14  34 23 o 132.2897 30.44629 656.7791       231.3135 584.9858       272.5095 841.8564       437.5383 118.6647 36.01282 127.9034 45.89059 -9.238670      58.33413 
1 1 1 14  34 24 o 107.7693 35.29641 484.2568       257.1871 484.2568       257.1871 0.000000       0.000000 107.7693 35.29641 ?        ?        0.000000       35.29641 
1 1 1 14  34 25 f 128.8308 29.64126 626.3152       219.2979 730.0078       255.0091 331.9058       429.6924 136.4121 32.36556 92.57314 40.76220 43.83896       52.04889 
1 1 1 14  34 26 f 87.04687 33.18820 293.2137       235.1379 379.2569       274.7220 57.49640       454.7060 94.90592 35.94602 81.11803 38.01416 13.78789       52.31819 
1 1 1 14  34 27 o 100.3334 33.63161 419.6289       233.1271 362.6949       274.1990 568.1286       442.8358 92.84014 35.72763 103.9370 43.44973 -11.09681      56.25248 
1 1 1 14  34 28 o 103.2325 32.37880 439.5646       218.1384 533.1678       262.2737 229.4989       392.9044 110.1052 35.61444 84.57471 37.99511 25.53049       52.07702 
1 1 1 14  34 29 o 66.58869 29.25145 74.26591       220.0772 163.2550       264.8008 -124.4889      395.7398 75.78263 32.69914 70.33900 33.67879 5.443634       46.94139 
1 1 1 14  34 30 o 51.90471 24.73341 -151.6860      208.0768 -108.1573      263.1188 -224.3511      339.9598 60.16802 28.41881 62.74739 30.33865 -2.579376      41.56997 
1 1 1 14  35 0  o 253.6235 10.55843 1921.202       156.7071 1440.456       358.6314 2034.654       174.2194 206.2473 30.57331 260.6142 11.42627 -54.36694      32.63874 
1 1 1 14  35 1  o 69.79996 24.09570 147.2131       119.7838 681.2687       337.1394 70.05721       128.1447 134.1772 39.90742 59.90475 24.00284 74.27243       46.56971 
1 1 1 14  35 2  o 155.3362 14.36377 735.5132       129.3738 768.7231       349.1303 730.2272       139.2901 142.2916 40.11698 154.2491 15.61211 -11.95750      43.04777 
1 1 1 14  35 3  o 108.7144 19.88253 377.2857       122.0979 -52.44373      346.0841 438.3764       130.4884 77.40612 35.13176 117.4922 19.62904 -40.08606      40.24351 
1 1 1 14  35 4  o 78.92981 24.89367 202.1561       128.7677 -509.1198      348.3253 314.7464       138.5850 60.44175 29.55576 97.33928 24.34160 -36.89753      38.28912 
1 1 1 14  35 5  o 117.7543 22.65108 451.7328       150.7497 0.000000       0.000000 451.7328       150.7497 ?        ?        117.7543 22.65108 0.000000       22.65108 
1 1 1 14  35 6  o 107.1955 23.69679 379.9065       145.0103 102.9637       362.9222 432.5204       158.1863 86.53761 37.80045 114.2202 24.35820 -27.68259      44.96883 
1 1 1 14  35 7  o 156.5818 16.35184 758.3596       147.9508 1014.751       344.1688 700.2391       163.8642 166.4247 36.28708 148.9669 19.20233 17.45779       41.05462 
1 1 1 14  35 8  o 89.10125 25.57980 267.1317       140.6736 272.5520       326.8948 265.8998       155.8416 94.94685 38.23506 88.69653 27.29532 6.250328       46.97823 
1 1 1 14  35 9  o 138.5828 18.40728 605.2760       145.9099 430.2470       301.0620 659.0090       166.8098 107.6913 38.12785 143.6165 20.37593 -35.92518      43.23091 
1 1 1 14  35 10 o 101.2840 22.00715 337.6338       126.9795 998.9934       303.1387 196.8956       139.8391 168.0801 31.91901 77.84219 26.04681 90.23794       41.19781 
1 1 1 14  35 11 o 211.0323 24.36278 1463.586       295.9977 1463.586       295.9977 0.000000       0.000000 211.0323 24.36278 ?        ?        0.000000       24.36278 
1 1 1 14  35 12 o 197.0816 27.29970 1315.378       307.0768 1315.378       307.0768 0.000000       0.000000 197.0816 27.29970 ?        ?        0.000000       27.29970 
1 1 1 14  35 13 o 146.2188 35.36156 803.0124       299.8864 803.0124       299.8864 0.000000       0.000000 146.2188 35.36156 ?        ?        0.000000       35.36156 
1 1 1 14  35 14 o 90.54005 36.56574 256.4865       299.9211 256.4865       299.9211 0.000000       0.000000 90.54005 36.56574 ?        ?        0.000000       36.56574 
1 1 1 14  35 15 o 70.49313 31.58524 4.885714       269.5497 4.885714       269.5497 0.000000       0.000000 70.49313 31.58524 ?        ?        0.000000       31.58524 
1 1 1 14  35 16 o 66.17702 30.60907 -88.61588      279.9531 -88.61588      279.9531 0.000000       0.000000 66.17702 30.60907 ?        ?        0.000000       30.60907 
1 1 1 14  35 17 o 132.6835 33.69033 673.8984       262.6006 673.8984       262.6006 0.000000       0.000000 132.6835 33.69033 ?        ?        0.000000       33.69033 
1 1 1 14  35 18 o 165.7431 26.71572 955.6209       250.8617 955.6209       250.8617 0.000000       0.000000 165.7431 26.71572 ?        ?        0.000000       26.71572 
1 1 1 14  35 19 o 106.5762 35.81506 458.5698       264.3662 458.5698       264.3662 0.000000       0.000000 106.5762 35.81506 ?        ?        0.000000       35.81506 
1 1 1 14  35 20 f 119.6416 35.74540 584.4711       270.0091 584.4711       270.0091 0.000000       0.000000 119.6416 35.74540 ?        ?        0.000000       35.74540 
1 1 1 14  35 21 o 229.6646 22.24441 1761.987       295.8694 1761.987       295.8694 0.000000       0.000000 229.6646 22.24441 ?        ?        0.000000       22.24441 
1 1 1 14  35 22 o 59.32688 27.42255 -67.96127      224.1548 126.2838       267.1699 -529.7639      411.9464 75.36248 32.68119 62.35745 30.81282 13.00503       44.91648 
1 1 1 14  35 23 o 119.4933 32.43224 566.8309       233.0504 818.0644       281.1969 15.71869       416.4778 142.8193 34.05318 78.34128 36.60496 64.47806       49.99543 
1 1 1 14  35 24 o 83.03180 34.03293 243.5070       264.4085 243.5070       264.4085 0.000000       0.000000 83.03180 34.03293 ?        ?        0.000000       34.03293 
1 1 1 14  35 25 o 68.77801 29.66595 97.68752       217.7986 253.8051       249.0700 -409.5594      448.9575 83.22713 33.42378 66.95301 32.90601 16.27412       46.90367 
1 1 1 14  35 26 o 50.69609 24.46894 -218.8540      218.7689 -389.7831      255.0007 257.7196       425.7928 49.41669 24.38559 86.96281 39.26744 -37.54612      46.22326 
1 1 1 14  35 27 o 95.04311 32.44514 373.7764       217.0089 314.6603       265.2644 493.4010       377.3432 87.67204 34.72918 99.45813 40.69858 -11.78609      53.50225 
1 1 1 14  35 28 o 71.60801 30.09391 145.9609       214.1632 329.3195       281.1836 -107.3620      330.5039 88.63033 35.54089 66.24864 31.45514 22.38168       47.46135 
1 1 1 14  35 29 o 77.06810 31.05177 212.0588       215.7284 333.5293       289.0817 59.39432       324.0814 88.17154 35.79363 72.36952 33.27866 15.80202       48.87385 
1 1 1 14  36 0  o 216.5217 28.34337 1586.978       351.2849 1586.978       351.2849 0.000000       0.000000 216.5217 28.34337 ?        ?        0.000000       28.34337 
1 1 1 14  36 1  o 127.1389 17.68202 508.3203       128.2811 1196.179       346.1317 398.7963       138.1168 182.9763 33.48862 110.3038 22.12086 72.67245       40.13503 
1 1 1 14  36 2  o 103.5812 21.97881 352.3741       129.3780 7.809198       335.1723 412.7030       140.2476 78.22152 35.12078 112.2550 22.08996 -34.03349      41.49018 
1 1 1 14  36 3  o 55.57720 23.11720 42.30882       124.4368 -176.8694      344.6383 75.16618       133.4385 70.50224 33.05712 60.74643 24.44049 9.755810       41.11095 
1 1 1 14  36 4  o 43.69574 20.36408 -96.31696      127.5553 185.3059       345.1653 -140.8602      137.2726 89.12728 37.86613 42.84576 20.32260 46.28152       42.97501 
1 1 1 14  36 5  o 107.3845 22.81963 381.8443       139.2789 599.6164       356.1524 342.5271       151.3304 121.8406 41.56573 100.2843 25.63528 21.55632       48.83521 
1 1 1 14  36 6  o 44.59795 21.05284 -133.3097      144.0239 -46.11897      335.8525 -152.9567      159.4269 75.15087 34.30186 46.39512 21.97532 28.75575       40.73736 
1 1 1 14  36 7  f 167.2076 17.55539 875.9214       169.5896 0.000000       0.000000 875.9214       169.5896 ?        ?        167.2076 17.55539 0.000000       17.55539 
1 1 1 14  36 8  o 93.53372 25.69415 299.5042       145.2540 394.4493       308.3535 272.4275       164.6685 103.0350 38.27796 88.90136 28.16517 14.13366       47.52345 
1 1 1 14  36 9  o 146.4753 18.07163 677.6074       151.9548 880.3012       334.1672 624.7695       170.6148 150.7120 37.86055 138.4537 21.72616 12.25827       43.65143 
1 1 1 14  36 10 o 146.1555 20.20663 687.2045       168.5760 273.0695       315.2592 853.0315       199.4916 92.57641 37.45282 162.1546 21.50686 -69.57824      43.18864 
1 1 1 14  36 11 o 160.3492 35.03219 965.1556       320.2115 965.1556       320.2115 0.000000       0.000000 160.3492 35.03219 ?        ?        0.000000       35.03219 
1 1 1 14  36 12 o 160.4701 32.29448 939.9134       293.3956 939.9134       293.3956 0.000000       0.000000 160.4701 32.29448 ?        ?        0.000000       32.29448 
1 1 1 14  36 13 o 100.7127 36.59780 389.8806       279.3723 389.8806       279.3723 0.000000       0.000000 100.7127 36.59780 ?        ?        0.000000       36.59780 
1 1 1 14  36 14 o 162.2579 34.90607 1008.126       322.3049 1008.126       322.3049 0.000000       0.000000 162.2579 34.90607 ?        ?        0.000000       34.90607 
1 1 1 14  36 15 o 108.7773 38.28675 491.3192       303.2289 491.3192       303.2289 0.000000       0.000000 108.7773 38.28675 ?        ?        0.000000       38.28675 
1 1 1 14  36 16 o 100.9610 36.59824 407.9009       279.1493 407.9009       279.1493 0.000000       0.000000 100.9610 36.59824 ?        ?        0.000000       36.59824 
1 1 1 14  36 17 o 76.92219 33.32999 122.1743       277.4167 122.1743       277.4167 0.000000       0.000000 76.92219 33.32999 ?        ?        0.000000       33.32999 
1 1 1 14  36 18 o 96.92303 34.34988 370.3642       244.4073 370.3642       244.4073 0.000000       0.000000 96.92303 34.34988 ?        ?        0.000000       34.34988 
1 1 1 14  36 19 o 150.2539 31.63334 856.1525       269.9252 856.1525       269.9252 0.000000       0.000000 150.2539 31.63334 ?        ?        0.000000       31.63334 
1 1 1 14  36 20 o 95.11381 34.15846 363.3058       242.4823 363.3058       242.4823 0.000000       0.000000 95.11381 34.15846 ?        ?        0.000000       34.15846 
1 1 1 14  36 21 o 64.87996 30.10146 -57.69931      273.8764 -57.69931      273.8764 0.000000       0.000000 64.87996 30.10146 ?        ?        0.000000       30.10146 
1 1 1 14  36 22 o 108.5950 33.36605 484.9360       232.9849 443.2816       277.4517 584.5544       429.0683 100.8618 36.49730 106.1503 43.41324 -5.288475      56.71651 
1 1 1 14  36 23 o 175.5836 25.10385 1087.733       251.1596 929.8979       300.9745 1449.727       455.8036 150.6636 34.76810 172.4984 44.69603 -21.83484      56.62646 
1 1 1 14  36 24 o 87.82700 33.74819 309.7636       244.4040 641.6695       287.4979 -555.1743      464.1086 119.7557 37.11177 64.43693 31.99218 55.31878       48.99778 
1 1 1 14  36 25 o 66.91235 30.63463 11.67592       270.5669 11.67592       270.5669 0.000000       0.000000 66.91235 30.63463 ?        ?        0.000000       30.63463 
1 1 1 14  36 26 o 96.47295 33.30753 394.3535       228.8805 345.7057       275.6317 502.4017       410.7766 89.99575 35.47893 98.70441 41.59119 -8.708664      54.66792 
1 1 1 14  36 27 o 56.88448 26.50095 -70.05099      215.7061 -322.8033      273.5092 345.8305       350.8400 53.21530 26.05743 89.26102 38.05810 -36.04572      46.12384 
1 1 1 14  37 0  f 102.4832 22.06754 348.3985       128.7091 765.5513       338.3202 277.8065       139.1740 137.8141 39.70191 90.10464 25.30240 47.70948       47.07922 
1 1 1 14  37 1  o 45.94342 20.82430 -46.93954      121.1062 -92.60300      336.6099 -40.14984      129.7979 72.47398 33.53643 48.23726 21.73992 24.23672       39.96644 
1 1 1 14  37 2  o 77.56898 25.19915 199.6356       131.2201 231.6215       338.8937 193.9944       142.3219 90.62917 37.95687 77.00508 26.27552 13.62409       46.16413 
1 1 1 14  37 3  o 35.27067 17.27270 -212.6720      120.2866 -301.0477      339.6251 -199.9961      128.6241 64.55836 30.98721 37.68183 18.32247 26.87653       35.99889 
1 1 1 14  37 4  o 83.14277 24.49199 233.9577       127.4819 58.51959       350.0551 260.7828       136.8816 80.85221 36.12727 87.34782 25.28072 -6.495613      44.09415 
1 1 1 14  37 5  o 50.69255 22.48085 -17.71848      132.9540 47.61043       314.5623 -31.92749      146.7019 77.35040 34.42500 51.94192 23.28514 25.40847       41.56054 
1 1 1 14  37 6  o 88.99376 26.37263 273.9910       147.4486 283.3895       343.2911 271.8649       163.2767 93.86831 38.65911 88.35341 28.05248 5.514900       47.76472 
1 1 1 14  37 7  o 93.01266 26.66175 301.9573       152.9380 113.5961       345.9538 347.7107       170.5037 83.03073 36.56730 99.03326 28.07433 -16.00253      46.10136 
1 1 1 14  37 8  o 136.8022 19.90159 604.9774       154.9942 581.4636       352.0811 610.6296       172.6207 117.1948 41.25525 135.8067 22.45733 -18.61186      46.97156 
1 1 1 14  37 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  37 10 o 210.1160 16.77525 1385.363       205.0027 912.9514       326.6613 1692.307       263.3098 151.8674 37.01775 229.5198 19.75322 -77.65242      41.95835 
1 1 1 14  37 11 o 122.6393 39.65009 641.3034       325.1039 641.3034       325.1039 0.000000       0.000000 122.6393 39.65009 ?        ?        0.000000       39.65009 
1 1 1 14  37 12 o 87.41701 37.00896 230.9641       327.7599 230.9641       327.7599 0.000000       0.000000 87.41701 37.00896 ?        ?        0.000000       37.00896 
1 1 1 14  37 13 o 160.7054 36.41246 1025.516       335.2143 1025.516       335.2143 0.000000       0.000000 160.7054 36.41246 ?        ?        0.000000       36.41246 
1 1 1 14  37 14 o 105.2591 38.61858 467.4543       312.1774 467.4543       312.1774 0.000000       0.000000 105.2591 38.61858 ?        ?        0.000000       38.61858 
1 1 1 14  37 15 o 120.0261 39.91514 638.5144       328.4825 638.5144       328.4825 0.000000       0.000000 120.0261 39.91514 ?        ?        0.000000       39.91514 
1 1 1 14  37 16 o 110.7027 38.07664 529.0142       299.0198 529.0142       299.0198 0.000000       0.000000 110.7027 38.07664 ?        ?        0.000000       38.07664 
1 1 1 14  37 17 o 89.20869 35.58214 300.2827       280.3074 300.2827       280.3074 0.000000       0.000000 89.20869 35.58214 ?        ?        0.000000       35.58214 
1 1 1 14  37 18 o 73.96481 32.19409 115.4978       261.2628 115.4978       261.2628 0.000000       0.000000 73.96481 32.19409 ?        ?        0.000000       32.19409 
1 1 1 14  37 19 o 67.17757 30.38825 18.32426       256.3571 18.32426       256.3571 0.000000       0.000000 67.17757 30.38825 ?        ?        0.000000       30.38825 
1 1 1 14  37 20 o 94.02129 33.32045 360.5096       229.9760 360.5096       229.9760 0.000000       0.000000 94.02129 33.32045 ?        ?        0.000000       33.32045 
1 1 1 14  37 21 o 84.63439 34.07670 269.3821       259.6110 269.3821       259.6110 0.000000       0.000000 84.63439 34.07670 ?        ?        0.000000       34.07670 
1 1 1 14  37 22 o 86.55204 34.89346 295.4293       272.5843 295.4293       272.5843 0.000000       0.000000 86.55204 34.89346 ?        ?        0.000000       34.89346 
1 1 1 14  37 23 o 63.23215 29.12252 -22.64616      249.5540 161.8428       299.5202 -441.4317      451.2704 77.28878 34.03223 65.52361 32.35369 11.76517       46.95694 
1 1 1 14  37 24 o 77.16501 32.54660 193.5596       251.9354 60.43363       304.8820 480.1687       447.3480 71.70739 32.71170 96.67230 42.10172 -24.96491      53.31613 
1 1 1 14  37 25 f 61.81271 28.44926 -23.03528      237.5750 254.5974       291.4533 -572.8029      410.1317 82.65100 34.94074 59.49657 29.62772 23.15443       45.81111 
1 1 1 14  37 26 o 56.00734 27.20907 -256.5775      281.9720 -256.5775      281.9720 0.000000       0.000000 56.00734 27.20907 ?        ?        0.000000       27.20907 
1 1 1 14  38 0  o 125.4027 27.57218 554.7595       197.2488 729.0796       321.7451 449.7913       249.6703 133.0602 38.83135 107.6231 34.74282 25.43710       52.10506 
1 1 1 14  38 1  o 80.25202 24.27430 219.6385       123.9546 416.4376       313.3758 183.1371       134.9612 102.5614 38.49068 74.51540 25.58250 28.04603       46.21685 
1 1 1 14  38 2  o 111.8535 20.43282 410.9450       129.1006 927.3263       321.7173 311.8317       140.9467 154.1861 36.20071 94.80791 24.99734 59.37817       43.99271 
1 1 1 14  38 3  o 112.2749 21.17052 417.3145       134.2897 -22.16015      335.0461 501.4282       146.5787 74.29786 34.04368 123.4193 21.00211 -49.12142      40.00076 
1 1 1 14  38 4  o 77.33287 24.86426 202.8726       127.9612 216.7893       307.9952 199.9693       140.6771 86.21417 36.15165 77.05338 26.12591 9.160797       44.60387 
1 1 1 14  38 5  o 165.1411 15.30499 849.9160       146.5444 1144.603       346.6333 785.7841       161.7061 172.2323 35.49748 157.0920 17.86902 15.14027       39.74133 
1 1 1 14  38 6  o 61.12997 25.55205 65.63316       153.1272 -281.4442      327.0459 163.0842       173.2961 62.67210 30.16566 73.53774 28.37584 -10.86564      41.41444 
1 1 1 14  38 7  f 142.6175 19.35632 659.3032       157.7247 708.2986       326.4843 644.3871       180.1405 128.7829 39.48457 138.3869 23.00274 -9.604019      45.69636 
1 1 1 14  38 8  o 143.5329 18.69876 664.3226       153.6653 661.5999       314.1351 665.1790       176.1835 124.7742 38.81346 141.3094 21.97279 -16.53519      44.60143 
1 1 1 14  38 9  o 77.25629 26.45703 203.9659       144.3224 380.4477       340.1341 165.2156       159.3813 97.85065 39.13993 72.65600 27.41055 25.19465       47.78360 
1 1 1 14  38 10 o 133.8119 25.48279 623.0482       192.6812 567.2174       329.6346 652.0248       237.4757 113.7036 39.92721 131.7865 31.20997 -18.08295      50.67785 
1 1 1 14  38 11 o 93.96298 38.52926 335.6804       339.0664 335.6804       339.0664 0.000000       0.000000 93.96298 38.52926 ?        ?        0.000000       38.52926 
1 1 1 14  38 12 o 190.5704 32.05599 1364.110       345.5693 1364.110       345.5693 0.000000       0.000000 190.5704 32.05599 ?        ?        0.000000       32.05599 
1 1 1 14  38 13 o 84.49329 37.36902 182.1764       364.9332 182.1764       364.9332 0.000000       0.000000 84.49329 37.36902 ?        ?        0.000000       37.36902 
1 1 1 14  38 14 o 153.0136 39.20305 1010.146       353.3535 1010.146       353.3535 0.000000       0.000000 153.0136 39.20305 ?        ?        0.000000       39.20305 
1 1 1 14  38 15 o 93.91006 37.39681 362.0089       309.1339 362.0089       309.1339 0.000000       0.000000 93.91006 37.39681 ?        ?        0.000000       37.39681 
1 1 1 14  38 16 o 116.7603 37.62038 602.0781       292.8319 602.0781       292.8319 0.000000       0.000000 116.7603 37.62038 ?        ?        0.000000       37.62038 
1 1 1 14  38 17 o 68.39080 31.26305 7.501629       280.3436 7.501629       280.3436 0.000000       0.000000 68.39080 31.26305 ?        ?        0.000000       31.26305 
1 1 1 14  38 18 o 67.10014 30.54810 12.89945       264.1799 12.89945       264.1799 0.000000       0.000000 67.10014 30.54810 ?        ?        0.000000       30.54810 
1 1 1 14  38 19 o 85.33614 34.28553 279.4038       262.1986 279.4038       262.1986 0.000000       0.000000 85.33614 34.28553 ?        ?        0.000000       34.28553 
1 1 1 14  38 20 o 88.47648 34.89818 320.3915       266.8063 320.3915       266.8063 0.000000       0.000000 88.47648 34.89818 ?        ?        0.000000       34.89818 
1 1 1 14  38 21 o 69.43529 31.46740 51.84800       276.4057 51.84800       276.4057 0.000000       0.000000 69.43529 31.46740 ?        ?        0.000000       31.46740 
1 1 1 14  38 22 o 131.6906 36.18595 762.4261       288.0526 762.4261       288.0526 0.000000       0.000000 131.6906 36.18595 ?        ?        0.000000       36.18595 
1 1 1 14  38 23 o 62.62212 29.64713 -106.8343      289.5113 -106.8343      289.5113 0.000000       0.000000 62.62212 29.64713 ?        ?        0.000000       29.64713 
1 1 1 14  38 24 o 95.68932 33.93323 400.8348       238.5452 597.4917       293.7812 20.25085       408.6906 111.7662 37.75558 74.91136 35.39323 36.85480       51.75099 
1 1 1 14  39 0  o 121.3879 20.89660 489.5903       143.3993 25.25390       317.1308 608.9315       160.7746 74.00049 33.60344 135.6453 20.87839 -61.64485      39.56133 
1 1 1 14  39 1  o 142.2543 16.75052 642.8668       137.0718 1467.549       329.4411 470.2100       150.7392 202.7702 28.48729 117.7430 22.65162 85.02718       36.39535 
1 1 1 14  39 2  o 129.0743 19.40179 543.9472       142.3299 816.8593       344.9666 487.9581       156.2491 136.6616 40.29753 119.6794 23.09784 16.98223       46.44784 
1 1 1 14  39 3  f 73.02609 25.59037 177.7205       135.3629 -430.0953      329.9445 300.7274       148.4293 57.91642 28.41302 91.71387 26.25830 -33.79745      38.68848 
1 1 1 14  39 4  o 38.10143 18.50966 -191.1906      130.4662 -179.4610      337.3851 -193.2530      141.4718 66.71648 31.70706 40.18689 19.46430 26.52960       37.20479 
1 1 1 14  39 5  o 36.42439 18.08629 -315.8819      148.4909 -343.9565      326.3071 -308.5497      166.7578 59.99946 29.17632 39.97206 19.72402 20.02740       35.21782 
1 1 1 14  39 6  o 97.05945 27.92731 345.1705       167.4988 540.3061       330.5673 277.7638       194.2867 110.3665 39.85132 86.97341 30.64388 23.39314       50.27102 
1 1 1 14  39 7  o 130.3029 22.01143 571.5187       162.2249 505.7286       307.2269 596.9537       191.0268 108.0018 38.48800 130.0870 25.94888 -22.08521      46.41843 
1 1 1 14  39 8  o 143.1985 17.98011 661.0925       147.6812 749.5754       336.7243 640.0188       164.3292 129.4537 40.17116 138.8249 20.82520 -9.371170      45.24833 
1 1 1 14  39 9  o 131.8025 20.01571 573.4063       149.8616 420.8817       339.0470 610.4407       167.0678 99.24970 39.27971 134.6395 21.91045 -35.38981      44.97736 
1 1 1 14  39 10 o 100.6857 29.58522 384.4932       186.2132 743.0055       317.4281 196.3794       229.9343 130.2143 38.72186 78.69901 31.93196 51.51531       50.18996 
1 1 1 14  39 11 o 99.83038 39.23878 439.6708       336.2637 439.6708       336.2637 0.000000       0.000000 99.83038 39.23878 ?        ?        0.000000       39.23878 
1 1 1 14  39 12 o 130.8451 41.19043 803.8814       352.7062 803.8814       352.7062 0.000000       0.000000 130.8451 41.19043 ?        ?        0.000000       41.19043 
1 1 1 14  39 13 o 90.39897 37.71444 322.2743       332.6512 322.2743       332.6512 0.000000       0.000000 90.39897 37.71444 ?        ?        0.000000       37.71444 
1 1 1 14  39 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  39 15 o 124.2061 38.03243 695.8802       303.0348 695.8802       303.0348 0.000000       0.000000 124.2061 38.03243 ?        ?        0.000000       38.03243 
1 1 1 14  39 16 o 81.03132 34.33067 218.7329       282.3828 218.7329       282.3828 0.000000       0.000000 81.03132 34.33067 ?        ?        0.000000       34.33067 
1 1 1 14  39 17 o 157.8721 33.56348 1005.549       301.1795 1005.549       301.1795 0.000000       0.000000 157.8721 33.56348 ?        ?        0.000000       33.56348 
1 1 1 14  39 18 o 105.1217 36.97532 506.6215       282.7777 506.6215       282.7777 0.000000       0.000000 105.1217 36.97532 ?        ?        0.000000       36.97532 
1 1 1 14  39 19 o 81.63643 34.66698 240.1146       289.0686 240.1146       289.0686 0.000000       0.000000 81.63643 34.66698 ?        ?        0.000000       34.66698 
1 1 1 14  39 20 o 69.91540 31.55798 68.23035       274.7120 68.23035       274.7120 0.000000       0.000000 69.91540 31.55798 ?        ?        0.000000       31.55798 
1 1 1 14  39 21 o 90.37069 35.60841 356.9452       277.5201 356.9452       277.5201 0.000000       0.000000 90.37069 35.60841 ?        ?        0.000000       35.60841 
1 1 1 14  39 22 o 49.37340 24.52923 -453.8118      274.5714 -453.8118      274.5714 0.000000       0.000000 49.37340 24.52923 ?        ?        0.000000       24.52923 
1 1 1 14  40 0  o 178.8672 15.55328 1007.855       161.5356 763.1512       336.9831 1080.859       184.0611 129.7462 40.17411 183.8198 17.27588 -54.07367      43.73117 
1 1 1 14  40 1  o 140.3485 18.81018 642.5480       150.9338 1263.236       361.5522 511.5489       166.0995 176.7766 36.09562 121.1000 24.23354 55.67666       43.47595 
1 1 1 14  40 2  o 216.7319 12.85413 1445.702       162.6525 1381.993       358.5350 1462.211       182.5146 188.5178 33.66396 216.6370 14.44787 -28.11922      36.63336 
1 1 1 14  40 3  o 130.1840 20.03623 561.4501       148.0780 703.6143       359.6357 532.4283       162.4910 121.4609 41.75874 124.4439 23.11480 -2.983086      47.72931 
1 1 1 14  40 4  o 125.6280 21.87659 534.9675       155.3287 614.6300       344.5432 514.6465       174.0158 114.3279 40.75671 120.3599 25.44901 -6.031960      48.04958 
1 1 1 14  40 5  o 105.3343 27.01767 406.9909       167.6985 716.8364       334.1015 302.6363       193.8928 124.6931 40.18470 89.04166 30.65987 35.65140       50.54540 
1 1 1 14  40 6  o 50.08642 23.10244 -66.05035      157.8782 -118.9750      298.7112 -45.53531      185.9767 64.44467 30.39045 55.57454 25.42668 8.870136       39.62443 
1 1 1 14  40 7  f 54.40365 24.35499 -9.576161      159.8913 595.4550       330.9795 -193.7552      182.6133 112.7443 39.97161 46.94578 22.58210 65.79850       45.90949 
1 1 1 14  40 8  o 57.55803 24.48217 51.41354       144.5749 -722.1464      340.6578 221.3514       159.6675 51.33961 25.77597 78.56480 27.77116 -27.22519      37.88981 
1 1 1 14  40 9  o 101.2934 28.16474 386.7589       173.3572 234.9614       326.8012 446.2005       204.5016 84.26230 36.34183 106.4785 30.92497 -22.21619      47.71878 
1 1 1 14  40 10 o 122.2671 27.38475 551.4924       191.4784 719.5273       369.9863 490.0231       223.7770 119.5651 42.27355 109.9431 32.46592 9.622055       53.30186 
1 1 1 14  40 11 o 114.1971 41.18178 647.9716       352.8706 647.9716       352.8706 0.000000       0.000000 114.1971 41.18178 ?        ?        0.000000       41.18178 
1 1 1 14  40 12 o 157.1384 39.07144 1099.207       358.5489 1099.207       358.5489 0.000000       0.000000 157.1384 39.07144 ?        ?        0.000000       39.07144 
1 1 1 14  40 13 o 173.4370 33.69394 1209.078       330.3699 1209.078       330.3699 0.000000       0.000000 173.4370 33.69394 ?        ?        0.000000       33.69394 
1 1 1 14  40 14 o 117.9291 37.90618 639.3200       297.4188 639.3200       297.4188 0.000000       0.000000 117.9291 37.90618 ?        ?        0.000000       37.90618 
1 1 1 14  40 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  40 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  40 17 o 83.19431 35.37416 262.6469       301.6502 262.6469       301.6502 0.000000       0.000000 83.19431 35.37416 ?        ?        0.000000       35.37416 
1 1 1 14  40 18 o 90.06723 36.51948 359.1133       300.5089 359.1133       300.5089 0.000000       0.000000 90.06723 36.51948 ?        ?        0.000000       36.51948 
1 1 1 14  40 19 o 69.29716 32.16812 10.10069       313.4154 10.10069       313.4154 0.000000       0.000000 69.29716 32.16812 ?        ?        0.000000       32.16812 
1 1 1 14  40 20 o 46.42271 23.36497 -649.7373      288.9730 -649.7373      288.9730 0.000000       0.000000 46.42271 23.36497 ?        ?        0.000000       23.36497 
1 1 1 14  41 0  o 102.9766 26.82176 393.2752       163.5698 541.6611       368.5591 356.8795       182.5308 104.6894 41.10057 95.88829 29.54596 8.801086       50.61838 
1 1 1 14  41 1  o 65.87073 26.52752 120.6916       157.3629 -3.832657      345.9127 153.1874       176.7066 72.38839 33.66831 70.70093 28.23434 1.687462       43.94011 
1 1 1 14  41 2  o 78.87325 27.19182 226.0512       152.5257 507.4257       344.6440 157.5186       170.0893 103.0570 39.94887 70.78285 27.88098 32.27419       48.71613 
1 1 1 14  41 3  o 70.36763 26.85568 161.5283       154.0652 576.5239       357.4415 66.83897       170.7394 107.9011 40.97116 61.79053 26.45287 46.11060       48.76874 
1 1 1 14  41 4  f 207.2266 14.46986 1346.964       174.7523 1174.340       360.2420 1400.086       199.8402 164.7153 38.05654 209.3768 16.40527 -44.66150      41.44192 
1 1 1 14  41 5  o 43.81417 21.08607 -175.6259      159.6749 -345.3366      341.5132 -128.1474      180.6346 59.85557 29.26831 49.57187 23.45369 10.28370       37.50613 
1 1 1 14  41 6  o 103.2697 27.10352 399.1187       166.1919 -48.40930      347.1995 532.1318       189.2851 70.26928 33.02117 119.3878 27.58767 -49.11848      43.02879 
1 1 1 14  41 7  o 76.20245 27.85807 208.1079       162.2229 128.2029       342.7563 231.1737       184.1544 77.83453 35.18028 79.28524 29.55671 -1.450706      45.94835 
1 1 1 14  41 8  o 47.99674 22.90002 -154.0255      179.5399 -113.8987      339.7720 -169.5700      211.4753 67.05640 31.85435 51.78675 24.74808 15.26965       40.33816 
1 1 1 14  41 9  o 98.08628 29.59353 377.7398       184.3972 517.9048       359.6739 327.7630       214.7699 102.1149 40.44320 89.95032 32.16588 12.16455       51.67491 
1 1 1 14  41 10 o 154.9103 21.89189 821.7050       193.3538 121.5791       347.9887 1134.386       232.5562 77.48177 35.19062 181.8146 22.27439 -104.3328      41.64767 
1 1 1 14  41 11 o 115.8684 41.90601 700.5403       365.7190 700.5403       365.7190 0.000000       0.000000 115.8684 41.90601 ?        ?        0.000000       41.90601 
1 1 1 14  41 12 o 121.2278 38.50190 693.7358       307.5517 693.7358       307.5517 0.000000       0.000000 121.2278 38.50190 ?        ?        0.000000       38.50190 
1 1 1 14  41 13 o 70.71133 31.80317 81.88667       276.1562 81.88667       276.1562 0.000000       0.000000 70.71133 31.80317 ?        ?        0.000000       31.80317 
1 1 1 14  41 14 f 102.6301 36.86284 493.7423       282.4084 493.7423       282.4084 0.000000       0.000000 102.6301 36.86284 ?        ?        0.000000       36.86284 
1 1 1 14  41 15 o 104.1120 37.42606 517.5306       291.1721 517.5306       291.1721 0.000000       0.000000 104.1120 37.42606 ?        ?        0.000000       37.42606 
1 1 1 14  41 16 o 75.76997 33.11187 167.3935       278.7468 167.3935       278.7468 0.000000       0.000000 75.76997 33.11187 ?        ?        0.000000       33.11187 
1 1 1 14  41 17 o 67.28609 30.23587 64.10049       248.9907 64.10049       248.9907 0.000000       0.000000 67.28609 30.23587 ?        ?        0.000000       30.23587 
1 1 1 14  42 0  o 111.0738 25.84400 454.1315       165.1762 594.3415       368.3465 418.8408       184.7980 106.6219 41.30824 103.3900 29.19953 3.231918       50.58639 
1 1 1 14  42 1  o 106.7222 26.47047 424.5837       164.8692 335.5181       358.4854 448.4756       185.6701 89.04400 38.22916 107.4961 28.85082 -18.45215      47.89404 
1 1 1 14  42 2  o 77.96777 27.53135 224.4401       156.8892 286.1187       375.9998 211.4378       172.6357 86.42880 38.09072 76.40662 28.59054 10.02218       47.62691 
1 1 1 14  42 3  o 41.91658 20.32287 -195.9079      155.2475 170.6962       351.7939 -284.5701      173.0051 79.71432 35.87017 41.23889 20.29926 38.47544       41.21563 
1 1 1 14  42 4  o 45.01242 21.38046 -127.1030      152.9912 218.2958       344.8127 -211.7668      170.7151 81.97495 36.28639 43.78120 21.24665 38.19376       42.04905 
1 1 1 14  42 5  o 103.6483 28.60816 416.6604       179.5874 603.9586       363.5589 356.2074       206.5462 107.5975 41.20749 93.17896 31.65616 14.41859       51.96315 
1 1 1 14  42 6  f 80.54689 28.96647 246.3796       174.4385 299.6252       361.8438 230.2585       199.1021 86.65898 37.80089 78.77029 30.40989 7.888695       48.51462 
1 1 1 14  42 7  o 61.15774 25.91115 78.19616       160.8632 91.53562       378.6161 75.25775       177.6995 76.73687 35.52948 62.53346 26.88245 14.20341       44.55345 
1 1 1 14  42 8  o 160.0513 22.14713 885.9877       202.3221 1098.764       406.5867 815.9610       233.2512 144.3745 44.02410 147.0987 28.06101 -2.724274      52.20672 
1 1 1 14  42 9  o 48.57045 22.96889 -116.4060      172.8541 -89.20323      378.4836 -123.5752      194.3010 69.54463 33.19967 51.23506 24.26550 18.30957       41.12217 
1 1 1 14  42 10 o 98.50772 28.34294 379.8161       172.5246 176.5828       390.2884 429.1728       192.3365 80.33419 36.78471 103.2288 29.99395 -22.89461      47.46317 
1 1 1 14  42 11 o 101.2871 40.41285 540.0064       361.7003 540.0064       361.7003 0.000000       0.000000 101.2871 40.41285 ?        ?        0.000000       40.41285 
1 1 1 14  42 12 f 99.51575 39.26031 502.4454       337.7349 502.4454       337.7349 0.000000       0.000000 99.51575 39.26031 ?        ?        0.000000       39.26031 
1 1 1 14  42 13 o 126.5799 38.69426 768.8010       313.8425 768.8010       313.8425 0.000000       0.000000 126.5799 38.69426 ?        ?        0.000000       38.69426 
1 1 1 14  42 14 o 49.72419 24.98656 -659.1769      323.6368 -659.1769      323.6368 0.000000       0.000000 49.72419 24.98656 ?        ?        0.000000       24.98656 
1 1 1 14  43 0  o 56.95304 26.90751 -105.0693      236.1714 -19.22785      408.2001 -148.2624      289.5555 73.02250 34.75298 60.37290 28.88037 12.64960       45.18678 
1 1 1 14  43 1  o 74.20526 27.84680 200.8759       164.0169 380.8147       415.0736 167.5806       178.5479 89.74668 39.76499 70.87984 28.35573 18.86684       48.83955 
1 1 1 14  43 2  o 56.50975 25.23384 15.04788       170.4843 405.2710       420.0155 -61.92496      186.5424 90.98575 40.17207 53.38396 24.79351 37.60179       47.20713 
1 1 1 14  43 3  o 46.70562 22.31495 -146.2379      171.7342 346.3326       399.5143 -257.8834      190.2036 88.04671 39.01212 44.61357 21.82105 43.43315       44.70016 
1 1 1 14  43 4  o 53.42225 24.73615 -55.01476      183.5605 -51.90612      414.3534 -55.77380      204.7480 72.31884 34.58219 55.98334 25.99201 16.33550       43.26098 
1 1 1 14  43 5  o 41.10115 19.90009 -179.5965      147.5451 -485.1255      399.2621 -131.2733      158.7850 59.87844 29.71938 45.45243 21.64400 14.42601       36.76553 
1 1 1 14  43 6  o 65.19796 25.04273 137.4069       134.5396 333.7733       400.9391 112.4901       142.8206 87.36945 38.87571 62.71555 25.26672 24.65390       46.36515 
1 1 1 14  43 7  o 76.50159 32.42123 199.0401       251.9705 -93.03323      435.9834 345.5219       308.7563 72.09492 34.73352 88.04699 36.50039 -15.95207      50.38547 
1 1 1 14  43 8  o 76.90339 29.47464 221.5224       186.0974 -128.9651      437.2079 299.0734       205.6579 71.14030 34.39878 85.41972 31.34412 -14.27943      46.53741 
1 1 1 14  43 9  o 71.92089 27.97953 180.8050       169.5288 369.2673       424.4142 145.0265       184.9220 89.03589 39.78215 68.89474 28.37373 20.14114       48.86398 
1 1 1 14  43 10 o 167.7065 17.53909 924.2260       169.9594 612.7228       389.2331 997.6107       188.9214 103.7123 41.73689 172.7704 18.95587 -69.05805      45.83987 
1 1 1 14  43 11 o 159.3354 40.26229 1224.073       376.3287 1224.073       376.3287 0.000000       0.000000 159.3354 40.26229 ?        ?        0.000000       40.26229 
1 1 1 14  44 0  o 97.52719 29.02197 383.6602       178.2653 639.6249       451.1878 336.3112       194.0541 101.3538 43.18480 89.78352 30.68045 11.57032       52.97373 
1 1 1 14  44 1  o 103.0697 28.40535 421.3364       177.2009 1186.942       461.7295 289.0980       191.8951 137.8284 47.31867 84.11308 30.36416 53.71534       56.22312 
1 1 1 14  44 2  o 113.8541 26.60206 492.8409       174.4119 861.8453       471.3989 434.3159       187.7342 113.0778 45.77942 103.4904 29.49908 9.587433       54.46054 
1 1 1 14  44 3  o 104.1463 28.16930 428.2229       176.1736 146.8121       458.1415 477.0563       190.8482 79.65170 37.58454 108.9799 29.25094 -29.32818      47.62578 
1 1 1 14  44 4  o 70.05345 27.72320 168.1163       168.8834 -64.96609      470.3616 202.6117       180.9494 73.57013 35.59917 74.17499 28.89241 -0.6048584     45.84836 
1 1 1 14  44 5  o 45.23585 20.98786 -61.05873      133.1520 -354.5472      447.6839 -32.57689      139.4633 65.26132 32.22432 48.34061 22.07967 16.92071       39.06300 
1 1 1 15  0  0  o 743.7325 26.42991 16338.44       1149.518 16338.44       1149.518 16338.44       1149.518 743.7325 26.42991 743.7325 26.42991 0.000000       0.000000 
1 1 1 15  0  1  o 433.0074 20.05894 5544.489       506.8958 5544.489       506.8958 5544.489       506.8958 433.0074 20.05894 433.0074 20.05894 0.000000       0.000000 
1 1 1 15  0  2  o 752.4128 26.75409 16723.93       1177.194 16723.93       1177.194 16723.93       1177.194 752.4128 26.75409 752.4128 26.75409 0.000000       0.000000 
1 1 1 15  0  3  o 215.4194 33.32332 1461.565       391.0385 1461.565       391.0385 1461.565       391.0385 215.4194 33.32332 215.4194 33.32332 0.000000       0.000000 
1 1 1 15  0  4  o 158.9765 50.54552 942.4703       414.7492 942.4703       414.7492 942.4703       414.7492 158.9765 50.54552 158.9765 50.54552 0.000000       0.000000 
1 1 1 15  0  5  o 586.1087 24.26005 10156.03       830.6568 10156.03       830.6568 10156.03       830.6568 586.1087 24.26005 586.1087 24.26005 0.000000       0.000000 
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 o 555.5877 17.51554 9096.614       569.4393 9096.614       569.4393 9096.614       569.4393 555.5877 17.51554 555.5877 17.51554 0.000000       0.000000 
1 1 1 15  0  12 o 701.7186 19.28419 14510.12       792.2690 14510.12       792.2690 14510.12       792.2690 701.7186 19.28419 701.7186 19.28419 0.000000       0.000000 
1 1 1 15  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0  14 f 138.4590 40.70527 695.9951       287.2083 695.9951       287.2083 695.9951       287.2083 138.4590 40.70527 138.4590 40.70527 0.000000       0.000000 
1 1 1 15  0  15 o 80.38995 42.46782 279.0797       267.4275 279.0797       267.4275 279.0797       267.4275 80.38995 42.46782 80.38995 42.46782 0.000000       0.000000 
1 1 1 15  0  16 o 206.6277 23.36183 1306.095       273.7910 1306.095       273.7910 1306.095       273.7910 206.6277 23.36183 206.6277 23.36183 0.000000       0.000000 
1 1 1 15  0  17 o 197.3991 22.82932 1194.391       255.1076 1194.391       255.1076 1194.391       255.1076 197.3991 22.82932 197.3991 22.82932 0.000000       0.000000 
1 1 1 15  0  18 o 309.0139 14.99785 2828.213       270.3390 2828.213       270.3390 2828.213       270.3390 309.0139 14.99785 309.0139 14.99785 0.000000       0.000000 
1 1 1 15  0  19 o 39.63700 27.01594 -111.4922      193.7254 -111.4922      193.7254 -111.4922      193.7254 39.63700 27.01594 39.63700 27.01594 0.000000       0.000000 
1 1 1 15  0  20 o 57.36144 33.54619 117.9186       188.4069 117.9186       188.4069 117.9186       188.4069 57.36144 33.54619 57.36144 33.54619 0.000000       0.000000 
1 1 1 15  0  21 o 658.7058 17.19303 12816.50       663.1705 12816.50       663.1705 12816.50       663.1705 658.7058 17.19303 658.7058 17.19303 0.000000       0.000000 
1 1 1 15  0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  0  23 o 423.1228 13.17449 5284.228       326.2088 5284.228       326.2088 5284.228       326.2088 423.1228 13.17449 423.1228 13.17449 0.000000       0.000000 
1 1 1 15  0  24 o 185.3701 14.54456 1030.655       155.8191 1030.655       155.8191 1030.655       155.8191 185.3701 14.54456 185.3701 14.54456 0.000000       0.000000 
1 1 1 15  0  25 o 32.43576 22.19699 -84.39848      133.6681 -84.39848      133.6681 -84.39848      133.6681 32.43576 22.19699 32.43576 22.19699 0.000000       0.000000 
1 1 1 15  0  26 o 44.97281 28.02839 39.76579       150.0389 39.76579       150.0389 39.76579       150.0389 44.97281 28.02839 44.97281 28.02839 0.000000       0.000000 
1 1 1 15  0  27 o 496.7469 11.27329 7267.060       328.0433 7267.060       328.0433 7267.060       328.0433 496.7469 11.27329 496.7469 11.27329 0.000000       0.000000 
1 1 1 15  0  28 o 200.5659 15.72106 1207.522       182.2355 1207.522       182.2355 1207.522       182.2355 200.5659 15.72106 200.5659 15.72106 0.000000       0.000000 
1 1 1 15  0  29 o 38.94324 25.69303 -28.97936      151.0335 -28.97936      151.0335 -28.97936      151.0335 38.94324 25.69303 38.94324 25.69303 0.000000       0.000000 
1 1 1 15  0  30 o 181.7444 16.41609 998.7225       171.5309 998.7225       171.5309 998.7225       171.5309 181.7444 16.41609 181.7444 16.41609 0.000000       0.000000 
1 1 1 15  0  31 o 280.7949 12.98712 2338.401       212.8259 2338.401       212.8259 2338.401       212.8259 280.7949 12.98712 280.7949 12.98712 0.000000       0.000000 
1 1 1 15  0  32 o 69.57366 35.03719 217.2528       176.3800 217.2528       176.3800 217.2528       176.3800 69.57366 35.03719 69.57366 35.03719 0.000000       0.000000 
1 1 1 15  0  33 o 273.0872 12.95824 2214.687       206.4690 2214.687       206.4690 2214.687       206.4690 273.0872 12.95824 273.0872 12.95824 0.000000       0.000000 
1 1 1 15  0  34 o 124.3073 26.61359 520.4210       170.3930 520.4210       170.3930 520.4210       170.3930 124.3073 26.61359 124.3073 26.61359 0.000000       0.000000 
1 1 1 15  0  35 o 98.18104 36.08513 391.9541       192.0170 391.9541       192.0170 391.9541       192.0170 98.18104 36.08513 98.18104 36.08513 0.000000       0.000000 
1 1 1 15  0  36 o 37.67575 25.63418 -85.62821      172.8135 -85.62821      172.8135 -85.62821      172.8135 37.67575 25.63418 37.67575 25.63418 0.000000       0.000000 
1 1 1 15  0  37 o 38.18756 25.99928 -86.37401      178.3759 -86.37401      178.3759 -86.37401      178.3759 38.18756 25.99928 38.18756 25.99928 0.000000       0.000000 
1 1 1 15  0  38 o 34.69355 23.96758 -114.4224      164.6758 -114.4224      164.6758 -114.4224      164.6758 34.69355 23.96758 34.69355 23.96758 0.000000       0.000000 
1 1 1 15  0  39 o 252.5586 13.13432 1912.257       193.3370 1912.257       193.3370 1912.257       193.3370 252.5586 13.13432 252.5586 13.13432 0.000000       0.000000 
1 1 1 15  0  40 o 149.3557 20.15248 711.1002       167.4843 711.1002       167.4843 711.1002       167.4843 149.3557 20.15248 149.3557 20.15248 0.000000       0.000000 
1 1 1 15  0  41 o 228.1624 13.44422 1570.625       178.4568 1570.625       178.4568 1570.625       178.4568 228.1624 13.44422 228.1624 13.44422 0.000000       0.000000 
1 1 1 15  0  42 o 34.75303 23.81451 -81.94421      155.0074 -81.94421      155.0074 -81.94421      155.0074 34.75303 23.81451 34.75303 23.81451 0.000000       0.000000 
1 1 1 15  0  43 o 107.6924 31.49479 447.4832       172.7428 447.4832       172.7428 447.4832       172.7428 107.6924 31.49479 107.6924 31.49479 0.000000       0.000000 
1 1 1 15  0  44 o 81.27386 36.39780 318.0698       184.8030 318.0698       184.8030 318.0698       184.8030 81.27386 36.39780 81.27386 36.39780 0.000000       0.000000 
1 1 1 15  0  45 o 51.15301 31.75631 92.50084       190.7283 92.50084       190.7283 92.50084       190.7283 51.15301 31.75631 51.15301 31.75631 0.000000       0.000000 
1 1 1 15  0  46 o 69.69743 37.41362 257.4968       210.4290 257.4968       210.4290 257.4968       210.4290 69.69743 37.41362 69.69743 37.41362 0.000000       0.000000 
1 1 1 15  0  47 o 51.55626 32.30687 92.97787       202.1858 92.97787       202.1858 92.97787       202.1858 51.55626 32.30687 51.55626 32.30687 0.000000       0.000000 
1 1 1 15  1  0  o 972.5325 23.10387 27884.98       1317.769 29440.79       1935.210 26539.88       1799.405 995.9216 33.17868 945.7653 32.48931 50.15631       46.43684 
1 1 1 15  1  1  f 430.2105 14.82003 5445.781       373.3632 5451.070       512.1360 5439.780       545.4697 429.7714 20.37680 429.1350 21.74422 0.6363525      29.79975 
1 1 1 15  1  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  1  3  o 1162.051 27.13301 39897.29       1849.155 39509.21       2590.980 40300.17       2639.907 1151.439 38.42213 1162.752 38.76667 -11.31360      54.58127 
1 1 1 15  1  4  o 1398.642 32.32478 57985.71       2651.506 55471.80       3611.152 60926.50       3905.742 1360.246 45.32991 1424.592 46.81150 -64.34595      65.16224 
1 1 1 15  1  5  o 561.7130 23.08153 9319.620       758.7582 9319.620       758.7582 0.000000       0.000000 561.7130 23.08153 ?        ?        0.000000       23.08153 
1 1 1 15  1  6  o 259.1648 28.20172 2009.184       421.7442 2009.184       421.7442 0.000000       0.000000 259.1648 28.20172 ?        ?        0.000000       28.20172 
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 o 456.0367 11.96594 6115.132       319.7581 6233.951       462.2025 6006.063       442.8316 459.7894 17.17064 451.3556 16.75807 8.433838       23.99300 
1 1 1 15  1  13 o 546.9111 12.00184 8791.134       384.9594 8871.866       554.2253 8715.875       535.1075 548.4838 17.25093 543.7151 16.80121 4.768616       24.08060 
1 1 1 15  1  14 o 258.5680 14.40117 1973.685       217.5224 2079.435       316.9137 1879.488       299.1044 264.5293 20.58962 251.4329 20.46054 13.09636       29.02699 
1 1 1 15  1  15 o 387.0195 11.40070 4407.108       258.4886 4426.763       369.1995 4388.209       362.0222 387.2039 16.29457 385.5512 16.04549 1.652618       22.86855 
1 1 1 15  1  16 o 222.7133 14.45420 1467.077       187.7753 1287.515       254.9412 1679.996       277.6140 207.4840 21.25092 237.4982 20.12022 -30.01414      29.26474 
1 1 1 15  1  17 o 475.4328 10.68946 6646.449       298.0544 6638.020       424.0226 6654.683       419.0464 474.2155 15.26613 474.8515 15.06620 -0.6359863     21.44866 
1 1 1 15  1  18 o 144.1562 19.06896 625.6882       157.2668 597.0234       218.7122 656.3764       226.2995 138.9029 27.81871 145.8856 27.45701 -6.982681      39.08667 
1 1 1 15  1  19 f 514.4489 10.43828 7786.162       314.9354 7851.779       454.4032 7725.506       436.8850 515.4923 15.04644 511.4453 14.58011 4.046997       20.95173 
1 1 1 15  1  20 o 69.74732 25.47786 119.4354       135.6458 -107.7350      197.0803 323.9224       186.9821 58.52641 26.54247 102.4220 29.51817 -43.89555      39.69667 
1 1 1 15  1  21 o 382.8066 13.30243 4329.532       298.1950 0.000000       0.000000 4329.532       298.1950 ?        ?        382.8066 13.30243 0.000000       13.30243 
1 1 1 15  1  22 o 172.8611 12.78273 886.5226       128.6731 846.8273       171.5137 937.6281       194.6090 168.0255 17.66907 176.5806 19.09525 -8.555115      26.01585 
1 1 1 15  1  23 o 64.66661 23.96808 99.14177       120.7679 175.8292       162.3678 4.181727       180.6792 80.18945 28.03230 63.87640 27.27546 16.31305       39.11215 
1 1 1 15  1  24 o 433.0508 8.102373 5515.042       205.7793 6004.510       360.7893 5279.040       250.5238 450.4622 13.67249 423.3486 10.09022 27.11359       16.99263 
1 1 1 15  1  25 o 155.5468 12.90172 719.5416       116.6374 752.6913       152.3021 672.5238       181.3834 158.3993 16.64297 148.4951 21.44814 9.904175       27.14795 
1 1 1 15  1  26 o 152.8773 13.21527 695.6483       117.3244 636.1552       165.8871 755.1910       165.9563 144.7026 20.08829 158.3299 18.20309 -13.62729      27.10889 
1 1 1 15  1  27 o ?        ?        -573.4322      119.3407 -557.9601      167.9748 -589.2020      169.5832 34.32240 17.34101 33.87415 17.14995 0.4482574      24.38917 
1 1 1 15  1  28 o 215.2377 10.98702 1369.314       138.2323 1264.516       193.8196 1477.804       197.2042 205.8454 16.18493 222.8457 15.17966 -17.00024      22.18950 
1 1 1 15  1  29 o 77.54462 24.63906 179.1523       125.9394 220.5024       187.5484 145.1950       169.9583 87.94443 30.15866 76.86557 28.44369 11.07886       41.45586 
1 1 1 15  1  30 o 335.0108 8.092675 3302.491       159.0016 3343.999       226.9438 3262.471       222.8369 336.3202 11.52277 332.2063 11.45457 4.113922       16.24750 
1 1 1 15  1  31 o 225.0621 10.09570 1497.353       132.9176 1390.114       182.2808 1619.120       194.2360 215.9100 14.47889 233.1397 14.27413 -17.22971      20.33197 
1 1 1 15  1  32 o 72.27488 27.76164 115.9759       165.3422 -6.736820      433.7737 136.8359       178.8442 93.85690 41.15334 76.30870 28.97963 17.54819       50.33305 
1 1 1 15  1  33 o 187.0302 11.97989 1040.461       130.7150 1093.762       192.1845 994.5765       178.3119 190.3223 17.41047 181.5597 16.94154 8.762573       24.29280 
1 1 1 15  1  34 o 273.1881 9.042875 2205.038       144.6838 2395.181       213.0786 2042.369       197.0839 283.6703 12.84113 261.8925 12.87093 21.77771       18.18118 
1 1 1 15  1  35 o 219.5910 11.55736 1435.057       148.3174 1467.562       219.4542 1407.725       201.2332 220.1675 17.13046 216.0426 15.99562 4.124878       23.43742 
1 1 1 15  1  36 o 142.5453 15.20039 617.3268       125.1162 727.2705       174.7277 501.6305       179.2406 153.0551 19.93896 124.5326 25.40317 28.52245       32.29370 
1 1 1 15  1  37 f 41.30285 19.58055 -138.1995      127.1096 -115.5247      181.7068 -159.9279      177.8746 53.37707 24.67857 50.11025 23.57523 3.266815       34.12951 
1 1 1 15  1  38 f 155.9651 14.00466 739.8673       126.7380 771.8417       178.1628 707.1117       180.3260 156.6068 19.84272 149.0959 21.22097 7.510849       29.05276 
1 1 1 15  1  39 o 115.8144 17.91991 422.4267       117.7895 360.2227       159.7185 496.5991       174.4083 103.1149 26.32413 122.0624 25.19865 -18.94753      36.44080 
1 1 1 15  1  40 o 62.80789 23.56512 106.5328       117.4444 121.5923       170.4117 92.90913       162.0840 70.24632 27.83286 66.26119 26.83734 3.985130       38.66407 
1 1 1 15  1  41 o 189.3486 10.74078 1079.782       118.7855 1159.130       175.1568 1012.214       161.6332 193.4641 15.56882 180.8306 15.38681 12.63356       21.88932 
1 1 1 15  1  42 o 56.08117 22.41035 67.77488       111.3977 161.1250       165.3637 -9.785674      150.7312 73.28789 27.85817 54.16262 23.98245 19.12527       36.75916 
1 1 1 15  1  43 o 71.66740 23.84089 170.4491       117.1856 170.8870       169.8954 170.0517       161.8483 74.17513 28.22740 73.60847 27.65381 0.5666504      39.51606 
1 1 1 15  1  44 o 52.55676 22.54987 24.82816       124.5825 -88.59102      184.6647 119.5716       168.7777 53.25298 24.71060 67.87062 27.42310 -14.61764      36.91396 
1 1 1 15  1  45 o 83.79250 25.32844 249.5461       134.9857 112.7028       198.2026 367.9256       184.3468 69.40282 29.04463 98.73672 29.54433 -29.33389      41.43016 
1 1 1 15  1  46 f 49.56366 22.97882 -77.40137      159.1658 -147.1295      221.6647 -3.184354      228.6884 54.74538 25.92504 63.35715 28.67672 -8.611774      38.65828 
1 1 1 15  1  47 o 59.56771 25.43826 56.94142       157.1879 97.66256       227.8027 19.93198       217.1727 69.72189 30.20653 63.31727 28.36192 6.404617       41.43468 
1 1 1 15  2  0  o 348.1779 12.24195 3564.668       249.5894 3880.933       408.0144 3375.558       315.5061 362.6067 19.25524 338.4735 15.93874 24.13318       24.99615 
1 1 1 15  2  1  o 448.8057 21.93652 5949.534       575.6506 0.000000       0.000000 5949.534       575.6506 ?        ?        448.8057 21.93652 0.000000       21.93652 
1 1 1 15  2  2  o 395.2389 15.16884 4598.299       350.9583 4706.304       467.4824 4458.807       531.2750 399.3015 20.02637 388.1531 23.44745 11.14835       30.83567 
1 1 1 15  2  3  o 739.7125 18.74994 16113.76       812.7614 16175.43       1135.582 16049.00       1163.773 739.6295 26.22053 736.5491 26.98676 3.080383       37.62714 
1 1 1 15  2  4  o 213.0103 24.55150 1356.266       301.1063 1479.142       394.6507 1185.093       465.7953 221.3510 31.27047 195.6558 41.85871 25.69522       52.24935 
1 1 1 15  2  5  o 236.9871 28.73833 1684.939       391.2743 1684.939       391.2743 0.000000       0.000000 236.9871 28.73833 ?        ?        0.000000       28.73833 
1 1 1 15  2  6  o 245.4037 28.45156 1804.601       401.9056 1804.601       401.9056 0.000000       0.000000 245.4037 28.45156 ?        ?        0.000000       28.45156 
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 o 630.7069 18.08723 11729.61       668.3461 11729.61       668.3461 0.000000       0.000000 630.7069 18.08723 ?        ?        0.000000       18.08723 
1 1 1 15  2  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  2  14 o 668.6725 12.94298 13150.42       507.5727 13167.76       721.6768 13133.44       714.0168 667.8422 18.44312 667.0129 18.26976 0.8293457      25.96022 
1 1 1 15  2  15 o 174.4270 19.81563 910.3221       199.1200 842.1196       289.3018 971.7148       274.4791 165.3680 30.96750 178.8463 27.00943 -13.47826      41.09130 
1 1 1 15  2  16 o 312.4402 11.86637 2875.410       217.0428 2506.413       299.0459 3286.143       315.5047 290.8586 17.61350 333.4269 16.18280 -42.56836      23.91900 
1 1 1 15  2  17 o 74.31205 27.53495 129.4059       159.3658 123.2224       228.1175 135.3010       222.7335 82.33083 32.33134 82.84965 32.11541 -0.5188217     45.57099 
1 1 1 15  2  18 o 123.1914 21.79081 463.6485       151.6773 436.8139       215.1713 490.1527       213.8430 118.3553 30.73086 125.3706 29.56704 -7.015327      42.64500 
1 1 1 15  2  19 o 391.5666 9.468166 4508.278       217.4313 4479.936       312.5765 4534.850       302.6521 389.5195 13.70420 392.0025 13.18326 -2.483002      19.01587 
1 1 1 15  2  20 o 220.9309 16.34615 1451.684       210.2982 0.000000       0.000000 1451.684       210.2982 ?        ?        220.9309 16.34615 0.000000       16.34615 
1 1 1 15  2  21 o 199.3092 12.15057 1175.348       141.3533 1089.369       200.4972 1260.316       199.3156 190.7837 18.13701 205.6309 16.67015 -14.84723      24.63423 
1 1 1 15  2  22 o 261.3457 9.674501 2012.953       148.0281 1895.910       200.6870 2152.620       219.2261 253.0011 13.57499 269.5655 13.91393 -16.56438      19.43908 
1 1 1 15  2  23 o 343.4897 8.215504 3469.636       165.5002 3534.742       263.8513 3427.407       212.5012 345.7123 13.03685 340.9013 10.64179 4.811005       16.82876 
1 1 1 15  2  24 o 209.9920 9.775471 1301.304       120.0598 1178.085       171.4616 1419.832       168.1667 198.9447 14.80154 218.8223 13.16470 -19.87753      19.80896 
1 1 1 15  2  25 o 158.1589 12.69184 743.4263       116.7376 853.0622       177.0017 659.0241       155.3022 168.3821 18.21340 147.7350 18.31642 20.64709       25.83059 
1 1 1 15  2  26 o 177.2200 11.36245 929.9542       117.4738 1079.587       163.8285 771.5952       168.5377 190.4013 14.78715 160.0434 18.28364 30.35796       23.51492 
1 1 1 15  2  27 o 102.6385 22.15916 327.1407       129.4754 529.0662       185.6322 135.8456       180.6799 130.4781 25.17063 77.13297 29.16565 53.34509       38.52526 
1 1 1 15  2  28 o 90.40112 29.15158 244.0512       175.8073 282.2995       194.0192 68.52914       415.6276 96.49869 30.57242 98.03050 41.59635 -1.531815      51.62295 
1 1 1 15  2  29 f 289.3276 8.726022 2465.921       147.8973 2670.931       216.7636 2287.356       202.3012 300.4570 12.32755 277.9852 12.44022 22.47177       17.51364 
1 1 1 15  2  30 o 63.76767 23.69067 96.92398       118.1169 110.7614       174.0735 85.11634       160.8000 73.16327 28.38293 68.45637 27.06406 4.706902       39.21804 
1 1 1 15  2  31 o 86.62749 23.20354 235.0539       120.2447 120.4607       178.4527 330.3505       162.7354 74.59205 28.79166 102.0902 26.83281 -27.49812      39.35682 
1 1 1 15  2  32 o 59.70268 23.04118 74.15910       114.2754 174.9153       167.8432 -12.90564      156.0231 79.81421 28.44722 57.50859 24.95649 22.30561       37.84270 
1 1 1 15  2  33 o 99.53759 22.92034 312.8316       131.0349 302.2809       192.9223 321.8673       178.5355 97.95123 30.40845 100.4137 28.81410 -2.462456      41.89184 
1 1 1 15  2  34 f 103.1854 21.91316 335.4007       128.5086 93.81487       205.9287 489.4883       164.4618 74.65578 30.24551 124.7270 23.34071 -50.07117      38.20444 
1 1 1 15  2  35 o 236.8262 10.65371 1665.099       147.5936 1666.914       218.3625 1663.573       200.2673 235.1920 15.92478 235.4682 14.57339 -0.2762146     21.58662 
1 1 1 15  2  36 o 228.7935 10.47344 1556.879       140.1619 1718.924       207.4484 1420.773       190.1208 238.7525 14.88945 216.9193 15.03757 21.83321       21.16186 
1 1 1 15  2  37 o 86.86839 23.71698 245.9795       124.1972 335.2690       181.2210 166.8984       170.5473 99.87720 29.14145 76.96579 28.49072 22.91141       40.75470 
1 1 1 15  2  38 o 177.4306 12.16738 948.1339       125.8459 923.0107       183.9789 970.2247       172.5193 172.1335 18.51513 177.4340 16.77797 -5.300446      24.98620 
1 1 1 15  2  39 o 172.3918 12.05982 896.7834       121.1602 751.7031       166.4681 1060.210       176.6803 154.6904 18.73023 185.3628 16.42205 -30.67242      24.90994 
1 1 1 15  2  40 o 75.03870 23.74626 183.9039       117.0809 192.1326       173.9216 177.0845       158.3293 78.67831 28.83194 75.85843 27.55355 2.819878       39.88081 
1 1 1 15  2  41 o 88.34253 22.33066 261.6197       115.7365 338.9205       174.7340 201.1987       154.4827 97.71876 28.64400 78.27353 27.34449 19.44523       39.60050 
1 1 1 15  2  42 o 65.07951 23.50741 127.7697       115.0355 97.50474       170.6496 152.9773       155.7404 66.73167 27.34520 71.60558 27.07750 -4.873909      38.48312 
1 1 1 15  2  43 o 140.2607 15.13158 614.8170       122.5041 482.9910       176.5639 737.1823       170.1103 117.0991 26.34864 150.6604 19.72554 -33.56130      32.91425 
1 1 1 15  2  44 o 38.39480 18.52386 -163.3004      125.0596 -64.32716      184.1532 -248.0140      170.3716 54.65086 25.11436 42.93291 20.92319 11.71796       32.68808 
1 1 1 15  2  45 o 89.52882 24.95071 285.0230       135.8801 339.4874       202.0323 240.0372       183.6125 93.97137 31.30485 81.90936 29.68341 12.06201       43.14045 
1 1 1 15  2  46 o 50.09485 23.34793 -90.58531      167.7198 -47.91605      219.8638 -149.9754      259.3900 59.70443 27.43849 59.12183 28.01138 0.5825996      39.21107 
1 1 1 15  2  47 o 50.92418 23.93629 -112.2541      182.6296 -49.46056      246.3497 -188.8746      272.1240 62.21782 28.75505 58.59306 28.02046 3.624756       40.14970 
1 1 1 15  3  0  o 810.7680 28.56978 19461.13       1356.359 0.000000       0.000000 19461.13       1356.359 ?        ?        810.7680 28.56978 0.000000       28.56978 
1 1 1 15  3  1  o 486.3309 12.39048 6951.061       353.1156 6505.728       560.4279 7244.260       454.7361 469.5754 20.39864 496.1645 15.64684 -26.58908      25.70852 
1 1 1 15  3  2  o 1045.588 24.67233 32260.46       1512.938 30553.13       2038.373 34354.82       2257.623 1014.020 34.32520 1074.680 35.86993 -60.66034      49.64747 
1 1 1 15  3  3  o 438.5652 15.35798 5660.875       394.4100 5186.077       497.1159 6467.508       647.9490 419.1594 20.28238 467.6749 23.70088 -48.51547      31.19466 
1 1 1 15  3  4  o 1014.917 34.04070 30607.28       2023.319 30607.28       2023.319 0.000000       0.000000 1014.917 34.04070 ?        ?        0.000000       34.04070 
1 1 1 15  3  5  o 928.1499 31.67232 25561.33       1721.519 25561.33       1721.519 0.000000       0.000000 928.1499 31.67232 ?        ?        0.000000       31.67232 
1 1 1 15  3  6  o 508.8008 22.56928 7648.402       671.7906 7648.402       671.7906 0.000000       0.000000 508.8008 22.56928 ?        ?        0.000000       22.56928 
1 1 1 15  3  7  o 220.4197 33.10586 1473.032       414.7505 1473.032       414.7505 0.000000       0.000000 220.4197 33.10586 ?        ?        0.000000       33.10586 
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 o 832.7117 21.76850 20477.83       1062.187 20477.83       1062.187 0.000000       0.000000 832.7117 21.76850 ?        ?        0.000000       21.76850 
1 1 1 15  3  12 o 490.6553 11.96574 7074.519       344.3233 7204.628       504.1708 6960.785       471.3753 494.2571 17.42023 485.9444 16.56399 8.312775       24.03810 
1 1 1 15  3  13 o 543.7962 12.07305 8692.268       385.0379 8064.481       516.3716 9478.443       577.8521 522.9293 16.85920 566.8629 17.40215 -43.93359      24.22947 
1 1 1 15  3  14 o 257.0172 14.75600 1951.045       221.4891 1479.026       311.8075 2431.795       314.6779 222.1091 24.33490 286.4465 18.83601 -64.33739      30.77308 
1 1 1 15  3  15 o 467.3517 11.34894 6421.372       311.0638 6547.697       450.0261 6305.800       430.4482 471.0022 16.31626 462.2854 15.90037 8.716858       22.78249 
1 1 1 15  3  16 o 381.7907 10.96570 4289.252       245.2800 4337.027       354.2452 4245.254       339.9525 383.2013 15.79642 379.1997 15.31773 4.001617       22.00363 
1 1 1 15  3  17 o 273.0909 11.69829 2198.335       186.9274 2292.143       288.1758 2130.193       245.6079 277.9419 17.77191 268.2588 15.67961 9.683105       23.70002 
1 1 1 15  3  18 o 272.2830 11.22044 2185.248       178.7926 2215.967       255.3827 2155.718       250.3929 273.4740 15.99280 269.7346 15.89883 3.739441       22.55088 
1 1 1 15  3  19 o 293.0898 13.26675 2537.728       227.4513 0.000000       0.000000 2537.728       227.4513 ?        ?        293.0898 13.26675 0.000000       13.26675 
1 1 1 15  3  20 o 76.33624 25.22403 167.1154       131.2359 36.35271       187.0833 293.7997       184.1427 68.03088 28.32509 98.10793 29.56719 -30.07706      40.94544 
1 1 1 15  3  21 o 360.5565 9.375224 3826.916       198.0783 3896.234       282.7704 3760.133       277.5525 363.1027 13.30113 356.6981 13.29089 6.404602       18.80340 
1 1 1 15  3  22 o 272.8865 9.603702 2194.356       153.4595 2185.749       217.8993 2202.825       216.1601 271.6626 13.72094 272.7566 13.55541 -1.093964      19.28765 
1 1 1 15  3  23 o 123.9364 15.83265 462.3462       112.4566 398.8303       173.3546 508.4959       147.7675 112.7603 26.64004 129.1130 20.17421 -16.35272      33.41692 
1 1 1 15  3  24 o 374.3506 9.028329 4124.244       198.2150 4076.572       274.0916 4176.508       286.9895 371.3378 12.60393 375.7596 13.04261 -4.421783      18.13749 
1 1 1 15  3  25 o 376.6727 8.314897 4173.385       183.6841 4093.680       280.7922 4233.007       242.8551 372.0380 12.88854 378.7716 10.94397 -6.733673      16.90813 
1 1 1 15  3  26 o 603.3475 9.778282 10719.70       346.0036 10632.96       567.0520 10771.15       436.7282 598.5159 16.16943 604.0468 12.32793 -5.530884      20.33294 
1 1 1 15  3  27 f 364.5680 8.569819 3909.917       183.2318 3753.296       255.9574 4074.547       262.4212 356.3890 12.26424 371.3903 12.06409 -15.00134      17.20330 
1 1 1 15  3  28 o 174.5126 14.06356 906.6660       142.7191 1107.903       213.5725 744.2960       191.8422 191.8708 19.23883 156.3333 21.49207 35.53748       28.84513 
1 1 1 15  3  29 o 113.0476 19.61114 392.1083       125.3096 349.3771       187.8659 426.3578       168.1910 105.3443 29.33032 116.6568 25.31228 -11.31244      38.74247 
1 1 1 15  3  30 o 190.5091 11.20868 1075.077       124.6801 1239.778       189.5079 949.3760       165.5577 203.6216 15.99750 178.0178 16.02901 25.60378       22.64617 
1 1 1 15  3  31 o 134.7634 15.34813 546.8635       119.1455 432.7279       176.4025 642.6092       161.5675 116.8651 26.36679 145.1625 19.46832 -28.29736      32.77534 
1 1 1 15  3  32 o 192.5612 10.99479 1099.652       123.6510 986.6019       181.4946 1197.580       168.9196 180.8299 17.32532 200.1771 14.48649 -19.34717      22.58373 
1 1 1 15  3  33 o 283.0066 8.438373 2362.870       139.9009 2375.453       203.8746 2351.672       192.3292 282.7991 12.32192 281.5614 11.67251 1.237671       16.97284 
1 1 1 15  3  34 f 259.0837 9.431983 1985.062       143.0765 2150.605       217.5907 1858.967       189.9046 268.3925 13.87061 249.7547 13.00982 18.63774       19.01707 
1 1 1 15  3  35 o 97.68930 22.02332 303.0755       123.1522 364.2520       177.8455 246.7154       170.7012 105.7129 28.17580 88.80963 28.73257 16.90327       40.24222 
1 1 1 15  3  36 o 273.3888 9.118099 2214.749       145.9915 2177.551       213.4068 2247.470       200.1559 269.3948 13.55081 274.1650 12.48091 -4.770203      18.42275 
1 1 1 15  3  37 o 48.07083 21.11702 -16.66719      114.6976 108.2803       168.0107 -125.7268      156.9659 69.85252 27.64902 48.19545 22.50384 21.65706       35.64956 
1 1 1 15  3  38 o 217.8775 10.43948 1418.472       133.0075 1437.891       192.1348 1400.603       184.3112 217.1390 15.18319 214.5300 14.73873 2.609055       21.16032 
1 1 1 15  3  39 o 190.9070 11.84124 1097.923       131.9248 850.6759       191.3568 1321.889       182.1251 163.6915 20.37239 207.8994 15.03875 -44.20786      25.32189 
1 1 1 15  3  40 o 66.91831 24.17600 132.0058       121.6791 114.6830       177.2117 147.4579       167.3702 70.12413 28.18212 72.81601 27.94110 -2.691879      39.68547 
1 1 1 15  3  41 o 174.5322 12.19392 925.1434       124.0306 1111.537       188.1116 781.7903       164.9694 188.2786 17.22655 157.0555 18.24962 31.22316       25.09587 
1 1 1 15  3  42 o 150.5460 13.44255 696.4446       117.4392 733.6757       178.0680 667.7841       156.2339 150.0261 20.79659 144.2682 18.92080 5.757980       28.11574 
1 1 1 15  3  43 o 46.15529 20.59487 -21.61103      113.3417 -80.17769      173.6373 21.86935       149.6114 52.36544 24.18018 56.37926 24.45251 -4.013828      34.38905 
1 1 1 15  3  44 o 64.54291 23.85324 126.5892       119.4594 146.3768       182.6315 111.7924       157.9299 71.69552 28.67948 66.01028 26.57823 5.685242       39.10135 
1 1 1 15  3  45 o 145.6304 15.83227 671.0205       133.0478 740.4213       197.8570 613.7356       179.7584 146.7868 23.79755 133.3739 23.85681 13.41289       33.69674 
1 1 1 15  3  46 o 71.14240 26.46976 166.2641       147.5578 377.2585       230.5791 19.92616       192.0273 96.56668 33.42655 60.83417 26.99578 35.73251       42.96634 
1 1 1 15  3  47 o 51.85895 23.73886 -47.33511      162.3812 -5.198287      214.9317 -103.3695      247.8545 61.39150 27.79256 59.63021 27.98309 1.761292       39.43958 
1 1 1 15  4  0  o 376.9291 11.91642 4176.517       263.0935 4277.095       423.4987 4113.304       335.7403 380.7251 19.02692 373.7571 15.34930 6.967957       24.44637 
1 1 1 15  4  1  o 253.1061 30.25569 1922.646       440.2320 0.000000       0.000000 1922.646       440.2320 ?        ?        253.1061 30.25569 0.000000       30.25569 
1 1 1 15  4  2  f 318.2015 15.74099 2984.036       292.8428 2873.700       364.6972 3184.303       491.3365 311.7549 20.05294 327.3977 25.79725 -15.64285      32.67443 
1 1 1 15  4  3  o 752.1500 26.32425 16730.86       1159.420 16730.86       1159.420 0.000000       0.000000 752.1500 26.32425 ?        ?        0.000000       26.32425 
1 1 1 15  4  4  o 960.7413 32.46642 27401.63       1826.699 27401.63       1826.699 0.000000       0.000000 960.7413 32.46642 ?        ?        0.000000       32.46642 
1 1 1 15  4  5  o 382.3996 21.34396 4322.478       476.7779 4322.478       476.7779 0.000000       0.000000 382.3996 21.34396 ?        ?        0.000000       21.34396 
1 1 1 15  4  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  4  7  o 475.7532 22.43340 6690.122       624.1693 6690.122       624.1693 0.000000       0.000000 475.7532 22.43340 ?        ?        0.000000       22.43340 
1 1 1 15  4  8  o 99.16103 40.31201 121.8326       367.2814 121.8326       367.2814 0.000000       0.000000 99.16103 40.31201 ?        ?        0.000000       40.31201 
1 1 1 15  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  4  10 o 669.2741 19.53794 13211.09       766.0694 13211.09       766.0694 0.000000       0.000000 669.2741 19.53794 ?        ?        0.000000       19.53794 
1 1 1 15  4  11 o 918.2903 23.33485 24931.60       1255.693 24931.60       1255.693 0.000000       0.000000 918.2903 23.33485 ?        ?        0.000000       23.33485 
1 1 1 15  4  12 o 427.6115 11.60866 5376.951       290.8575 5718.533       438.9396 5109.558       388.3584 440.2975 17.03051 416.3145 15.93541 23.98297       23.32329 
1 1 1 15  4  13 o 586.2324 12.28950 10103.56       422.5272 10790.40       646.2527 9590.747       558.4125 604.6285 18.24570 570.2997 16.71361 34.32880       24.74369 
1 1 1 15  4  14 o 541.0822 11.78929 8607.404       374.1118 8383.651       517.5364 8852.284       541.4194 533.0767 16.57405 547.7268 16.87476 -14.65015      23.65284 
1 1 1 15  4  15 o 344.0437 11.80118 3484.947       237.7640 3515.152       336.9036 3454.975       335.5985 344.8410 16.70823 341.8562 16.79023 2.984802       23.68706 
1 1 1 15  4  16 o 235.0072 13.68094 1631.848       187.7438 1660.823       266.1159 1603.136       264.9078 236.2036 19.38058 231.9881 19.65539 4.215561       27.60328 
1 1 1 15  4  17 o 110.7636 25.27124 379.8158       160.5235 559.5004       240.0747 234.5269       215.8774 133.8976 31.15916 92.83578 32.33161 41.06178       44.90241 
1 1 1 15  4  18 o 359.9558 10.10991 3813.443       213.2145 3936.944       315.9187 3710.132       288.9452 364.9853 14.78937 354.4561 13.92671 10.52927       20.31450 
1 1 1 15  4  19 o 98.86888 23.11057 302.8801       131.5882 286.5652       193.6655 316.8715       179.3459 97.61718 30.49250 101.3067 28.81799 -3.689568      41.95556 
1 1 1 15  4  20 o 482.7996 10.16697 6859.444       287.8784 6817.603       411.4435 6899.572       402.9331 480.2024 14.62655 483.1874 14.23445 -2.984955      20.40969 
1 1 1 15  4  21 o 179.0187 12.89215 950.3486       134.4484 1029.492       203.3289 888.8593       179.2221 185.2067 18.98795 172.1657 18.01628 13.04094       26.17496 
1 1 1 15  4  22 o 347.4538 8.297894 3549.960       169.0890 3485.455       273.3489 3589.941       215.2028 343.2147 13.60701 348.9529 10.52756 -5.738251      17.20407 
1 1 1 15  4  23 o 455.7834 8.400142 6110.097       224.5410 6308.520       381.3156 6004.770       277.8161 461.6529 14.10028 451.4569 10.49278 10.19601       17.57602 
1 1 1 15  4  24 o 53.46589 22.03648 27.92739       111.6562 164.8219       164.4960 -89.03362      152.0488 78.86711 28.15639 50.94640 23.18670 27.92072       36.47472 
1 1 1 15  4  25 f 500.7733 11.23827 7395.095       330.0587 7702.345       442.2968 7008.980       495.8225 509.8114 14.80861 485.3102 17.44873 24.50128       22.88565 
1 1 1 15  4  26 o 358.3146 8.990231 3780.604       188.7743 4307.358       324.4888 3511.124       232.0916 381.2232 14.54008 344.8407 11.49205 36.38248       18.53324 
1 1 1 15  4  27 o 469.0661 9.246577 6476.008       254.3698 6143.352       388.0358 6726.675       336.8389 455.3863 14.54785 477.2914 12.04301 -21.90509      18.88582 
1 1 1 15  4  28 o 99.10278 22.32394 305.7162       126.6244 282.1507       177.4130 330.1853       180.7824 95.77145 29.05600 102.6850 28.83865 -6.913506      40.93798 
1 1 1 15  4  29 o 31.57618 15.73419 -297.8789      116.4424 -532.0347      178.0676 -122.9470      153.9100 36.75597 18.47860 48.90335 22.64608 -12.14737      29.22847 
1 1 1 15  4  30 o 216.4986 10.35993 1385.593       131.1597 1723.891       210.0818 1169.500       167.9031 240.5517 14.96531 198.0502 14.55721 42.50159       20.87757 
1 1 1 15  4  31 o 150.1926 18.31226 684.5380       157.9716 349.7804       434.5612 735.5110       169.5727 116.1337 44.90178 155.5719 18.97783 -39.43818      48.74759 
1 1 1 15  4  32 o 132.8192 14.83130 531.2488       113.5594 356.6475       165.1881 687.7046       156.3690 105.7544 26.64849 150.4672 18.08164 -44.71276      32.20385 
1 1 1 15  4  33 o 48.64249 21.15152 -13.28128      112.5424 -2.140445      174.3437 -21.24002      147.3565 61.52845 26.54053 55.02581 24.06007 6.502647       35.82299 
1 1 1 15  4  34 o 309.5488 8.441765 2828.363       153.1113 2795.645       219.7394 2859.239       213.4613 306.6457 12.24318 310.2856 11.75148 -3.639862      16.97035 
1 1 1 15  4  35 o 31.69403 16.05732 -521.6599      150.3205 -703.0351      484.1544 -502.3104      158.1356 72.29754 35.24221 33.62093 16.96710 38.67661       39.11388 
1 1 1 15  4  36 o 297.8277 11.12829 2641.984       194.0348 2557.391       494.9753 2657.344       210.9162 279.2717 30.72796 298.2820 12.08181 -19.01025      33.01784 
1 1 1 15  4  37 o 181.8035 11.64351 991.1989       123.4946 834.3234       173.6358 1151.785       175.6775 164.0168 18.36597 194.4086 15.53735 -30.39183      24.05657 
1 1 1 15  4  38 o 120.1145 17.74064 451.7888       121.2167 365.9442       183.4032 518.3749       161.5259 103.2855 29.06096 126.5168 22.59860 -23.23132      36.81353 
1 1 1 15  4  39 o 139.1332 15.82310 598.3766       126.8228 347.3578       181.0442 840.2382       177.7113 100.1580 29.09969 163.4981 18.87964 -63.34008      34.68764 
1 1 1 15  4  40 o 49.18082 21.30831 2.947237       113.3701 -104.1006      173.9850 81.93800       149.4552 51.81102 24.02213 63.43718 25.74246 -11.62616      35.20990 
1 1 1 15  4  41 o 59.97380 22.75121 95.56261       110.1563 222.7076       169.1934 2.012273       145.1297 81.56273 28.60791 54.46658 23.84506 27.09615       37.24245 
1 1 1 15  4  42 o 115.3009 17.49987 424.2095       114.6240 420.0097       172.1554 427.5539       153.6276 109.0401 27.05122 111.9512 24.11169 -2.911156      36.23730 
1 1 1 15  4  43 o 157.0947 13.52108 761.1446       123.3619 867.6101       185.7454 677.1227       165.0098 163.4435 19.77949 143.9810 20.08740 19.46259       28.19099 
1 1 1 15  4  44 o 74.11105 24.12035 187.5975       120.1952 219.7174       181.8065 162.6586       160.1996 79.77292 29.43653 72.01770 27.40922 7.755219       40.22157 
1 1 1 15  4  45 o 65.71711 24.84657 130.7335       131.1216 172.1031       192.4371 94.88215       179.1435 74.49906 29.55800 65.94910 27.60703 8.549965       40.44531 
1 1 1 15  4  46 o 75.35235 26.59924 197.8267       146.4365 333.1872       213.0028 76.51274       201.6483 92.05648 32.11209 66.14552 28.53776 25.91096       42.96033 
1 1 1 15  4  47 o 68.75004 27.23300 142.2093       163.1062 228.8504       242.1180 70.21844       220.7008 80.88715 32.78632 66.99085 29.36451 13.89630       44.01382 
1 1 1 15  5  0  o 365.3310 23.84247 3953.766       508.0528 0.000000       0.000000 3953.766       508.0528 ?        ?        365.3310 23.84247 0.000000       23.84247 
1 1 1 15  5  1  o 335.7087 12.74429 3315.250       250.4607 3417.795       379.2176 3235.907       333.5673 340.2135 19.08229 331.2253 17.23079 8.988159       25.71058 
1 1 1 15  5  2  o 415.0230 12.53952 5063.925       304.8634 5358.376       482.6946 4868.522       393.2172 426.1844 19.36245 406.5380 16.52674 19.64636       25.45658 
1 1 1 15  5  3  o 342.0153 20.97696 3459.136       418.7399 3459.136       418.7399 0.000000       0.000000 342.0153 20.97696 ?        ?        0.000000       20.97696 
1 1 1 15  5  4  o 327.9042 22.18231 3184.117       424.0731 3184.117       424.0731 0.000000       0.000000 327.9042 22.18231 ?        ?        0.000000       22.18231 
1 1 1 15  5  5  o 351.1289 20.93249 3645.732       429.1036 3645.732       429.1036 0.000000       0.000000 351.1289 20.93249 ?        ?        0.000000       20.93249 
1 1 1 15  5  6  o 436.0448 21.78649 5619.464       555.3810 5619.464       555.3810 0.000000       0.000000 436.0448 21.78649 ?        ?        0.000000       21.78649 
1 1 1 15  5  7  o 340.3834 22.42461 3432.128       445.1617 3432.128       445.1617 0.000000       0.000000 340.3834 22.42461 ?        ?        0.000000       22.42461 
1 1 1 15  5  8  o 457.6014 20.67710 6184.853       553.4828 6184.853       553.4828 0.000000       0.000000 457.6014 20.67710 ?        ?        0.000000       20.67710 
1 1 1 15  5  9  o 1278.088 42.43288 49047.44       3176.226 49047.44       3176.226 0.000000       0.000000 1278.088 42.43288 ?        ?        0.000000       42.43288 
1 1 1 15  5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  5  11 o 375.1588 17.84231 4155.544       391.4447 4155.544       391.4447 0.000000       0.000000 375.1588 17.84231 ?        ?        0.000000       17.84231 
1 1 1 15  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  5  13 o 561.3403 12.33434 9264.822       406.0623 8547.562       539.9208 10198.79       616.1096 538.2380 17.12609 587.8195 17.89243 -49.58148      24.76777 
1 1 1 15  5  14 o 343.5667 12.40534 3476.112       249.5495 2859.994       335.0276 4243.969       374.0150 310.7396 18.46701 379.0203 16.86807 -68.28070      25.01125 
1 1 1 15  5  15 o 666.7045 12.82563 13079.91       501.4906 12926.39       702.6700 13239.28       715.9459 661.3866 18.13241 669.3141 18.25599 -7.927551      25.73063 
1 1 1 15  5  16 o 543.3367 15.77296 8714.946       502.0799 0.000000       0.000000 8714.946       502.0799 ?        ?        543.3367 15.77296 0.000000       15.77296 
1 1 1 15  5  17 o 245.0093 12.21746 1771.554       175.0014 2073.497       274.5744 1564.985       227.1064 264.2253 17.82311 229.5325 16.99124 34.69281       24.62449 
1 1 1 15  5  18 o 330.3144 10.08773 3211.961       195.1921 3210.258       281.2265 3213.543       271.1365 329.5284 14.58782 329.7938 14.05049 -0.2653198     20.25391 
1 1 1 15  5  19 o 48.50422 21.96251 -73.48483      134.2926 -48.60057      207.2647 -91.49046      176.3060 64.41869 28.33962 55.78204 25.22030 8.636650       37.93675 
1 1 1 15  5  20 o 61.71183 24.30224 66.70609       129.2002 -213.4328      196.7281 279.1749       171.3276 52.26236 24.65088 95.51563 28.45852 -43.25327      37.65041 
1 1 1 15  5  21 o 535.2180 10.53580 8435.344       330.7110 8509.052       478.0070 8367.669       458.0246 536.1245 15.21801 531.8171 14.69917 4.307373       21.15782 
1 1 1 15  5  22 o 99.28286 20.88065 304.8791       117.7206 416.7966       191.6782 237.0991       149.1676 115.0916 28.53882 88.16895 26.62024 26.92269       39.02693 
1 1 1 15  5  23 f 255.6653 10.29506 1928.594       154.0501 1996.236       229.1192 1872.786       208.1121 259.2045 15.13780 251.2380 14.18171 7.966537       20.74304 
1 1 1 15  5  24 o 403.8671 8.448144 4798.177       200.1015 4455.457       298.3575 5078.367       269.7696 388.0908 13.12740 414.8693 11.09740 -26.77844      17.18956 
1 1 1 15  5  25 o 56.30130 23.07023 35.37320       121.4584 -133.6834      187.0748 158.5625       159.6930 54.80716 25.23229 77.55232 27.73603 -22.74516      37.49608 
1 1 1 15  5  26 o 110.1671 20.90695 374.0941       130.1407 634.9304       203.1051 192.4091       169.5104 143.2578 25.08788 82.98612 28.66338 60.27168       38.09188 
1 1 1 15  5  27 f 237.4677 11.21721 1666.379       155.7796 1642.326       234.7588 1685.304       208.2304 234.5357 17.18653 238.1040 14.98773 -3.568329      22.80370 
1 1 1 15  5  28 o 348.4140 9.175020 3575.939       187.3161 3710.288       297.5319 3487.725       241.0926 353.7453 14.37135 343.5346 11.98474 10.21066       18.71282 
1 1 1 15  5  29 o 189.5277 11.78203 1064.740       130.3138 1116.881       204.7979 1029.266       168.9231 192.7005 18.34238 185.5643 15.66814 7.136230       24.12330 
1 1 1 15  5  30 o 412.1091 8.136238 4998.533       196.6466 5204.915       294.7655 4833.015       263.9756 419.4611 11.99446 404.4296 11.13997 15.03146       16.36967 
1 1 1 15  5  31 o 300.8430 8.817410 2669.343       155.4041 2715.506       245.9031 2638.646       200.5240 302.1503 13.91419 298.5120 11.47529 3.638245       18.03571 
1 1 1 15  5  32 o 375.9583 7.961541 4162.955       175.5445 4207.042       256.8658 4124.319       240.4603 376.8352 11.63657 373.3129 10.99495 3.522278       16.00934 
1 1 1 15  5  33 o 93.02279 21.50465 272.3925       114.9731 240.9621       168.3694 299.8537       157.3793 88.54073 28.52616 96.98512 26.78555 -8.444389      39.13064 
1 1 1 15  5  34 o 223.6967 10.71163 1484.819       140.1205 1845.576       212.4155 1206.908       186.4370 248.2321 14.65598 200.1275 16.01818 48.10457       21.71128 
1 1 1 15  5  35 o 73.07487 23.57689 162.6609       114.9868 223.2798       177.5560 118.8731       150.9067 85.82578 29.34680 70.07201 26.61801 15.75378       39.62011 
1 1 1 15  5  36 o 248.4943 9.174849 1831.370       133.4810 1784.939       195.1217 1872.213       183.0020 243.6344 13.71111 250.0491 12.51883 -6.414795      18.56652 
1 1 1 15  5  37 o 65.85362 26.06382 94.09075       149.2855 -295.6066      433.3118 146.5758       159.0211 76.65034 36.28308 73.25249 27.43392 3.397850       45.48717 
1 1 1 15  5  38 o 150.7378 13.31694 689.8631       116.5177 656.5298       166.0795 722.1738       163.5123 143.9057 20.23657 151.7959 18.76631 -7.890213      27.59879 
1 1 1 15  5  39 o 38.69728 18.13773 -92.04114      103.5909 -71.41174      148.2149 -111.7424      144.8425 49.67995 22.71814 46.27734 21.61122 3.402611       31.35536 
1 1 1 15  5  40 o 127.5683 15.86228 506.8470       116.1189 527.7992       165.4934 486.5290       162.9695 126.2948 23.19776 120.7563 23.85801 5.538521       33.27673 
1 1 1 15  5  41 o 133.0058 15.13842 549.9137       115.9878 560.4613       164.8522 539.5735       163.2229 130.1757 22.40088 127.5175 22.65536 2.658226       31.86008 
1 1 1 15  5  42 o 142.1697 14.00203 624.4266       115.2342 651.3710       170.8349 601.9318       156.0927 140.7662 21.36333 136.0082 20.17995 4.757935       29.38745 
1 1 1 15  5  43 o 40.25813 18.86736 -89.74328      112.0436 -19.39770      167.1529 -147.1385      150.9849 55.48886 24.86675 44.46838 21.15566 11.02048       32.64838 
1 1 1 15  5  44 o 131.4969 15.69655 546.2466       118.6639 686.9866       183.4714 445.0356       155.5871 142.5307 22.71016 113.1794 24.17457 29.35136       33.16868 
1 1 1 15  5  45 o 139.4863 15.65255 615.7161       125.8398 585.7488       190.1491 639.0689       167.8571 128.1160 26.19183 137.9683 21.44073 -9.852341      33.84844 
1 1 1 15  5  46 o 52.03418 22.82404 9.231740       133.5393 220.0849       212.9862 -127.3480      171.4173 79.71850 31.26003 48.52057 22.92366 31.19793       38.76446 
1 1 1 15  6  0  o 556.1285 12.95756 9085.736       422.6189 9357.832       697.5292 8927.920       531.2245 563.1520 21.15725 550.7264 16.46568 12.42560       26.80947 
1 1 1 15  6  1  o 207.3360 19.97048 1277.601       239.8356 1512.250       301.8177 875.5704       395.0613 225.2685 23.17539 168.0112 40.55859 57.25731       46.71294 
1 1 1 15  6  2  o 74.97018 31.23170 35.97982       227.6324 -72.14246      298.5601 186.0944       351.7917 77.71815 34.10757 102.3306 40.16068 -24.61247      52.68972 
1 1 1 15  6  3  o 533.6759 15.81006 8382.090       494.2910 7963.278       645.9057 8974.011       767.8763 519.3940 21.24906 550.9697 23.81992 -31.57568      31.92039 
1 1 1 15  6  4  o 610.5504 23.11981 11012.23       826.3632 11012.23       826.3632 0.000000       0.000000 610.5504 23.11981 ?        ?        0.000000       23.11981 
1 1 1 15  6  5  o 363.2670 20.37147 3900.112       432.2704 3900.112       432.2704 0.000000       0.000000 363.2670 20.37147 ?        ?        0.000000       20.37147 
1 1 1 15  6  6  o 218.2436 27.50179 1430.746       344.2088 1430.746       344.2088 0.000000       0.000000 218.2436 27.50179 ?        ?        0.000000       27.50179 
1 1 1 15  6  7  o 776.1073 27.13067 17842.18       1233.004 17842.18       1233.004 0.000000       0.000000 776.1073 27.13067 ?        ?        0.000000       27.13067 
1 1 1 15  6  8  o 720.5715 25.75518 15371.87       1086.659 15371.87       1086.659 0.000000       0.000000 720.5715 25.75518 ?        ?        0.000000       25.75518 
1 1 1 15  6  9  o 741.3143 26.23860 16280.23       1138.959 16280.23       1138.959 0.000000       0.000000 741.3143 26.23860 ?        ?        0.000000       26.23860 
1 1 1 15  6  10 o 937.9109 19.19652 25929.56       1055.929 25929.56       1055.929 0.000000       0.000000 937.9109 19.19652 ?        ?        0.000000       19.19652 
1 1 1 15  6  11 o 943.3110 23.95464 26340.15       1324.169 26340.15       1324.169 0.000000       0.000000 943.3110 23.95464 ?        ?        0.000000       23.95464 
1 1 1 15  6  12 o 638.0356 18.64783 12017.55       697.0396 12017.55       697.0396 0.000000       0.000000 638.0356 18.64783 ?        ?        0.000000       18.64783 
1 1 1 15  6  13 o 605.2257 12.38744 10771.67       439.6929 10486.53       608.7187 11082.74       635.8045 596.0873 17.43102 612.7491 17.71113 -16.66174      24.85005 
1 1 1 15  6  14 o 431.7535 11.45423 5484.610       289.7802 5073.109       392.2589 5978.995       429.9520 414.5324 16.16580 450.0472 16.31664 -35.51480      22.96880 
1 1 1 15  6  15 o 471.0529 15.49995 6548.364       427.6207 0.000000       0.000000 6548.364       427.6207 ?        ?        471.0529 15.49995 0.000000       15.49995 
1 1 1 15  6  16 o 450.6382 10.62176 5971.533       280.7212 5997.833       403.2761 5946.808       391.0075 450.7061 15.27872 448.8632 14.87376 1.842957       21.32294 
1 1 1 15  6  17 o 471.1779 10.35749 6529.301       286.2133 6225.812       398.2539 6853.487       411.6101 459.1600 14.80859 481.8228 14.58305 -22.66278      20.78364 
1 1 1 15  6  18 o 325.3886 10.18260 3117.552       194.0781 3310.943       295.5572 2970.950       257.3318 334.5278 15.10360 317.0757 13.87178 17.45203       20.50719 
1 1 1 15  6  19 o 60.03532 23.84836 58.36103       125.4175 -171.7771      203.3950 199.5455       159.3087 55.77369 25.89855 83.46522 27.79831 -27.69153      37.99316 
1 1 1 15  6  20 o 427.0985 9.602497 5366.799       240.5264 5728.764       373.4578 5110.228       314.4212 440.1056 14.48860 416.0144 12.90263 24.09122       19.40097 
1 1 1 15  6  21 o 268.3387 8.976211 2120.454       141.0637 2624.854       252.1052 1890.552       170.2020 297.6289 14.48647 253.0043 11.50068 44.62459       18.49658 
1 1 1 15  6  22 o 313.8149 8.590460 2898.903       157.9544 2796.302       247.3327 2969.571       205.2655 307.2833 13.75926 317.2248 11.04999 -9.941528      17.64708 
1 1 1 15  6  23 o 290.8842 8.838584 2491.957       150.6084 2247.980       235.7663 2660.152       195.7556 275.2047 14.66038 300.1737 11.13897 -24.96902      18.41204 
1 1 1 15  6  24 o 390.1222 8.422824 4477.111       192.7121 4343.808       303.4752 4567.188       249.4662 383.0819 13.52893 393.4765 10.82069 -10.39459      17.32395 
1 1 1 15  6  25 o 161.1790 13.48275 773.1710       126.2827 688.5452       202.9549 826.6326       161.3130 149.6215 23.93529 166.0459 16.79567 -16.42447      29.24026 
1 1 1 15  6  26 o 257.6340 10.25850 1958.410       154.6922 2137.037       250.1216 1847.761       196.8570 267.9998 15.98616 249.6720 13.49421 18.32787       20.92011 
1 1 1 15  6  27 o 221.3915 11.94643 1450.515       154.5389 1307.087       235.7797 1558.539       204.6198 208.5078 19.50764 228.8520 15.33402 -20.34415      24.81291 
1 1 1 15  6  28 o 394.0540 8.927928 4570.396       206.3274 4672.394       333.0176 4506.850       262.8568 397.0127 14.32600 390.6630 11.48519 6.349640       18.36148 
1 1 1 15  6  29 o 226.7268 11.26293 1520.931       149.2943 1406.344       241.2367 1592.060       190.0644 216.1366 19.23175 231.4124 14.07087 -15.27585      23.82960 
1 1 1 15  6  30 o 357.3539 8.355924 3759.650       175.1231 3877.597       264.3067 3667.351       233.8107 361.8247 12.47411 352.1745 11.33501 9.650238       16.85485 
1 1 1 15  6  31 o 270.7094 8.820406 2162.024       139.8499 2281.096       219.0929 2080.149       181.6759 276.9546 13.52962 264.9130 11.72251 12.04163       17.90161 
1 1 1 15  6  32 o 191.7259 11.06725 1090.721       123.9143 1337.522       190.9170 911.0742       162.8849 211.2462 15.51840 173.9694 16.14892 37.27675       22.39661 
1 1 1 15  6  33 o 213.6331 10.27386 1352.074       128.3447 1443.207       196.6430 1284.441       169.4018 219.3759 15.38154 207.2966 14.01639 12.07932       20.80988 
1 1 1 15  6  34 o 136.1335 15.19001 560.6760       119.2116 691.7762       181.8999 461.9740       157.8316 149.3501 21.37596 120.9821 23.08651 28.36800       31.46297 
1 1 1 15  6  35 o 308.5729 8.669477 2815.536       156.7367 2857.814       233.0479 2780.619       211.7919 309.3431 12.87373 305.5559 11.84107 3.787231       17.49125 
1 1 1 15  6  36 o 88.47398 22.68183 252.9897       118.2328 129.3950       173.5544 360.0220       161.5077 73.16924 28.35286 104.4814 26.36229 -31.31215      38.71505 
1 1 1 15  6  37 o 301.5029 8.285070 2694.115       146.3613 2560.115       209.2043 2822.579       204.8371 292.0826 12.23991 307.1791 11.38988 -15.09650      16.71959 
1 1 1 15  6  38 o 184.7289 11.47867 1025.644       123.7445 1079.463       181.4980 978.8965       169.1554 187.0383 16.72214 178.2390 16.36450 8.799286       23.39715 
1 1 1 15  6  39 o 60.73587 22.27114 101.8538       103.8005 52.52157       149.3010 148.0088       144.4130 60.57712 25.26913 71.30380 26.24848 -10.72668      36.43504 
1 1 1 15  6  40 o 45.08642 20.12846 -27.10244      108.4148 -164.8213      168.3441 70.49295       141.7150 47.24604 22.43742 61.01862 24.95191 -13.77258      33.55646 
1 1 1 15  6  41 o 93.89632 22.16820 295.4550       120.1058 208.0601       175.8746 371.8316       164.4144 79.81023 29.03261 102.9571 26.92753 -23.14690      39.59778 
1 1 1 15  6  42 o 84.73274 23.67805 245.9788       122.1941 389.4721       182.5711 129.5409       164.4612 103.5897 28.94074 69.33582 27.38336 34.25393       39.84237 
1 1 1 15  6  43 o 79.93134 24.60039 221.2541       126.5837 220.7417       195.5518 221.6236       166.0719 80.76557 30.38545 80.06783 28.32079 0.6977386      41.53724 
1 1 1 15  6  44 o 63.63145 24.47281 115.1135       128.6014 348.7138       200.6271 -47.80854      167.5495 95.50888 31.16802 53.19030 24.25887 42.31858       39.49605 
1 1 1 15  6  45 o 105.8797 21.95811 383.1823       131.8739 337.3498       208.4850 413.7499       170.2625 93.05967 31.80076 106.2132 27.21311 -13.15352      41.85500 
1 1 1 15  6  46 o 74.23826 25.54200 191.5725       134.5558 163.1535       213.7604 210.2229       173.1680 74.35656 30.55221 77.48766 28.70422 -3.131104      41.92099 
1 1 1 15  7  0  o 1129.417 21.50862 37598.58       1424.681 38223.11       2479.695 37290.85       1740.648 1132.292 37.39256 1123.315 26.42158 8.977173       45.78541 
1 1 1 15  7  1  o 848.2280 16.88042 21165.70       839.7432 21580.92       1447.116 20954.89       1031.104 853.3929 28.95564 843.2875 20.84857 10.10547       35.68041 
1 1 1 15  7  2  o 513.3795 15.28229 7755.762       459.6144 7592.621       615.5211 7961.362       690.9913 507.1955 20.73642 519.0473 22.75474 -11.85178      30.78599 
1 1 1 15  7  3  o 433.8382 14.83721 5539.523       376.9564 5240.070       493.8710 5957.459       583.4506 421.2874 20.04621 448.9253 22.22964 -27.63794      29.93338 
1 1 1 15  7  4  o 879.9175 29.94546 22966.64       1543.086 22966.64       1543.086 0.000000       0.000000 879.9175 29.94546 ?        ?        0.000000       29.94546 
1 1 1 15  7  5  o 668.6499 24.20316 13218.64       947.5546 13218.64       947.5546 0.000000       0.000000 668.6499 24.20316 ?        ?        0.000000       24.20316 
1 1 1 15  7  6  o 448.3463 20.05496 5935.139       525.9995 5935.139       525.9995 0.000000       0.000000 448.3463 20.05496 ?        ?        0.000000       20.05496 
1 1 1 15  7  7  o 447.3284 20.17510 5909.660       527.9265 5909.660       527.9265 0.000000       0.000000 447.3284 20.17510 ?        ?        0.000000       20.17510 
1 1 1 15  7  8  o 720.8010 25.64647 15385.16       1082.433 15385.16       1082.433 0.000000       0.000000 720.8010 25.64647 ?        ?        0.000000       25.64647 
1 1 1 15  7  9  o 112.5567 39.12024 342.7707       315.9674 342.7707       315.9674 0.000000       0.000000 112.5567 39.12024 ?        ?        0.000000       39.12024 
1 1 1 15  7  10 o 942.6160 18.84960 26193.73       1042.048 26193.73       1042.048 0.000000       0.000000 942.6160 18.84960 ?        ?        0.000000       18.84960 
1 1 1 15  7  11 o 838.1852 28.98790 20908.24       1422.830 20908.24       1422.830 0.000000       0.000000 838.1852 28.98790 ?        ?        0.000000       28.98790 
1 1 1 15  7  12 o 572.8226 17.69897 9684.693       593.8779 9684.693       593.8779 0.000000       0.000000 572.8226 17.69897 ?        ?        0.000000       17.69897 
1 1 1 15  7  13 o 346.1801 17.50748 3543.956       354.2941 3543.956       354.2941 0.000000       0.000000 346.1801 17.50748 ?        ?        0.000000       17.50748 
1 1 1 15  7  14 o 615.9567 17.32461 11205.08       625.2195 0.000000       0.000000 11205.08       625.2195 ?        ?        615.9567 17.32461 0.000000       17.32461 
1 1 1 15  7  15 o 286.6917 12.32682 2423.185       206.7763 1938.075       270.4815 3105.387       320.7558 255.4672 18.17173 323.9008 16.94435 -68.43356      24.84598 
1 1 1 15  7  16 o 98.02370 27.39595 295.5452       163.5681 116.4043       243.8381 442.1038       220.5514 83.56910 33.23474 119.1233 31.20312 -35.55418      45.58709 
1 1 1 15  7  17 o 682.6171 12.70864 13727.45       508.7762 13427.16       709.7483 14044.85       729.7031 673.3143 17.98976 688.6021 18.08437 -15.28772      25.50835 
1 1 1 15  7  18 o 286.6534 10.47708 2421.115       175.8395 2392.696       261.4584 2444.583       237.5996 284.1085 15.75329 287.4807 14.13579 -3.372192      21.16570 
1 1 1 15  7  19 o 395.5510 9.582103 4602.475       222.2869 5576.039       387.1086 4123.537       271.5125 434.0821 15.22943 373.8069 12.40206 60.27512       19.64043 
1 1 1 15  7  20 o 255.1131 10.61544 1919.707       158.4789 2362.751       260.2331 1658.537       199.8022 282.1277 15.79075 236.4742 14.47612 45.65350       21.42209 
1 1 1 15  7  21 o 378.2626 10.97654 4219.570       243.2482 4345.648       313.3430 4028.359       385.8857 383.2112 13.96555 367.8452 17.94135 15.36606       22.73606 
1 1 1 15  7  22 f 202.3646 10.66817 1209.996       126.1649 1166.389       207.7330 1235.482       158.8096 197.2552 18.16041 204.0604 13.34309 -6.805206      22.53528 
1 1 1 15  7  23 o 281.2423 9.174095 2330.573       151.1169 2056.461       232.8746 2529.962       198.6139 263.0538 15.15899 292.6284 11.59587 -29.57462      19.08558 
1 1 1 15  7  24 o 386.8458 8.556562 4402.730       194.1278 4276.604       305.8280 4487.843       251.2304 380.0399 13.74400 389.9989 10.99491 -9.958984      17.60073 
1 1 1 15  7  25 o 322.3972 8.994246 3061.211       169.8955 2891.491       266.6070 3177.258       220.4556 312.2101 14.60087 328.0120 11.47759 -15.80188      18.57203 
1 1 1 15  7  26 o 127.9272 19.86176 499.0620       144.1850 634.5480       224.7077 404.2384       187.9874 142.4402 27.89749 113.2689 28.36438 29.17132       39.78452 
1 1 1 15  7  27 o 147.7509 16.95838 656.5597       144.2878 853.6391       229.6925 528.0989       185.4434 166.8562 24.17569 130.3049 25.17739 36.55135       34.90509 
1 1 1 15  7  28 o 107.9625 26.23438 366.6185       164.4549 0.000000       0.000000 366.6185       164.4549 ?        ?        107.9625 26.23438 0.000000       26.23438 
1 1 1 15  7  29 o 153.5440 14.28236 704.6151       127.1379 774.8729       211.7628 665.0170       158.9788 158.7095 23.45651 148.1186 18.71845 10.59091       30.00980 
1 1 1 15  7  30 o 243.5556 10.75855 1754.779       153.2955 1631.415       239.8610 1839.960       199.3122 233.0818 17.67876 248.7393 13.71587 -15.65752      22.37552 
1 1 1 15  7  31 o 127.3083 16.61521 491.6103       121.0973 375.7287       188.8453 572.5397       157.8163 108.3036 29.10919 136.5158 20.33073 -28.21221      35.50611 
1 1 1 15  7  32 o 334.8695 8.817229 3308.885       173.0136 3112.108       266.5104 3452.220       227.4598 323.1861 14.09472 341.3491 11.37792 -18.16299      18.11403 
1 1 1 15  7  33 o 41.72144 19.39910 -96.90307      114.7041 -233.9230      181.8331 -6.339628      147.8283 47.80265 22.87231 56.38950 24.38184 -8.586849      33.43078 
1 1 1 15  7  34 o 101.9110 21.03258 327.1056       121.5383 290.5450       201.2989 348.0789       152.4644 95.93591 31.21420 104.0716 25.24191 -8.135689      40.14325 
1 1 1 15  7  35 o 37.55730 17.93789 -140.8170      110.7679 -99.08044      166.7721 -173.7626      148.1713 52.19600 23.95436 43.96416 20.92762 8.231834       31.80844 
1 1 1 15  7  36 o 31.71153 15.63925 -217.8114      104.3433 -142.3662      159.9876 -273.6573      137.6469 47.86781 22.46930 36.77593 18.10322 11.09188       28.85474 
1 1 1 15  7  37 o 66.26852 23.53145 127.0423       114.7481 -37.07914      175.1586 250.4339       151.8768 57.30216 25.58325 87.10810 26.97021 -29.80594      37.17384 
1 1 1 15  7  38 o 108.3186 17.68031 369.5335       108.4456 271.4895       173.0231 432.9692       139.1748 89.80050 28.91640 115.8064 21.27546 -26.00587      35.89990 
1 1 1 15  7  39 o 156.0673 12.96763 740.4377       117.6211 694.1243       176.4294 777.4901       157.8069 146.9632 21.07178 157.8229 17.33424 -10.85965      27.28545 
1 1 1 15  7  40 o 65.93208 22.94661 133.8189       108.7306 87.95134       169.2263 166.0672       141.8954 66.13211 27.17962 72.94134 26.13807 -6.809227      37.70849 
1 1 1 15  7  41 o 54.14775 21.98023 55.18739       109.0044 -165.7052      165.2446 225.3551       145.0358 46.39753 22.09005 81.29649 26.49840 -34.89896      34.49834 
1 1 1 15  7  42 o 63.27279 23.78531 114.3562       119.7729 22.59100       176.8544 192.1041       162.7875 60.37585 26.37982 76.58115 27.92047 -16.20530      38.41156 
1 1 1 15  7  43 o 58.55087 23.70517 75.18624       126.4019 4.545928       197.2796 124.3825       164.6349 61.18581 27.24465 68.18810 27.24549 -7.002289      38.53034 
1 1 1 15  7  44 o 56.14417 23.39832 54.79433       127.8391 242.2141       210.0956 -55.39524      161.0940 82.82232 31.41984 51.63066 23.63820 31.19166       39.31884 
1 1 1 15  7  45 o 35.76798 17.60294 -235.3594      129.8945 56.81527       218.8138 -394.3477      161.4121 66.40942 29.17020 36.02357 18.03711 30.38584       34.29633 
1 1 1 15  7  46 o 57.46555 24.13846 58.70900       137.6800 -167.3263      229.5059 185.7859       172.0834 54.70841 26.04306 74.49422 28.39427 -19.78581      38.52890 
1 1 1 15  8  0  o 376.3831 25.63341 4204.792       562.4547 0.000000       0.000000 4204.792       562.4547 ?        ?        376.3831 25.63341 0.000000       25.63341 
1 1 1 15  8  1  o 848.9882 20.47723 21239.54       1019.585 21537.77       1442.942 20942.17       1440.881 852.3943 28.90590 840.3948 29.27914 11.99957       41.14388 
1 1 1 15  8  2  o 643.0243 16.66197 12172.52       627.8242 13000.38       912.7162 11429.02       864.9623 663.2761 23.50053 621.7933 23.76297 41.48279       33.42085 
1 1 1 15  8  3  o 696.6835 17.64939 14294.72       720.5530 14349.64       1007.306 14237.18       1031.144 696.5814 24.69601 693.6768 25.38895 2.904602       35.41880 
1 1 1 15  8  4  f 572.2526 15.98172 9639.951       535.8416 9575.495       729.0887 9715.661       790.1817 569.3765 21.87454 573.2065 23.55546 -3.830017      32.14584 
1 1 1 15  8  5  o 281.7359 20.89885 2352.838       342.8558 2352.838       342.8558 0.000000       0.000000 281.7359 20.89885 ?        ?        0.000000       20.89885 
1 1 1 15  8  6  o 634.0516 23.14912 11884.73       859.3698 11884.73       859.3698 0.000000       0.000000 634.0516 23.14912 ?        ?        0.000000       23.14912 
1 1 1 15  8  7  o 276.2635 21.90840 2266.012       352.0597 2266.012       352.0597 0.000000       0.000000 276.2635 21.90840 ?        ?        0.000000       21.90840 
1 1 1 15  8  8  o 235.0810 23.91871 1649.822       325.1783 1649.822       325.1783 0.000000       0.000000 235.0810 23.91871 ?        ?        0.000000       23.91871 
1 1 1 15  8  9  o 769.1378 20.46701 17467.35       922.4077 17467.35       922.4077 0.000000       0.000000 769.1378 20.46701 ?        ?        0.000000       20.46701 
1 1 1 15  8  10 o 243.6559 16.89669 1757.179       239.9555 1757.179       239.9555 0.000000       0.000000 243.6559 16.89669 ?        ?        0.000000       16.89669 
1 1 1 15  8  11 o 139.9876 38.59536 608.0029       327.0671 608.0029       327.0671 0.000000       0.000000 139.9876 38.59536 ?        ?        0.000000       38.59536 
1 1 1 15  8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  8  13 o 431.9854 11.53966 5491.052       292.0945 5212.667       405.9350 5789.949       420.6246 420.1220 16.50732 442.8606 16.22227 -22.73859      23.14420 
1 1 1 15  8  14 o 329.7998 11.82767 3203.607       228.4001 2825.861       314.8175 3623.382       331.8697 308.8918 17.44904 350.1154 16.20637 -41.22363      23.81418 
1 1 1 15  8  15 o 656.8324 12.49724 12700.30       481.4146 12217.48       655.2046 13266.79       709.7023 642.8311 17.39518 669.6662 18.08694 -26.83508      25.09442 
1 1 1 15  8  16 o 153.4129 19.22877 707.6833       169.2170 808.5344       251.9035 624.7504       228.4324 162.2864 27.44420 142.0092 28.42049 20.27724       39.50834 
1 1 1 15  8  17 o 467.7662 10.37128 6437.106       284.5193 6619.560       431.5819 6296.857       378.3875 473.1357 15.57468 461.8213 13.98663 11.31439       20.93315 
1 1 1 15  8  18 o 152.1495 15.86787 691.7017       139.5138 540.7220       227.0768 783.2502       176.8232 131.3376 30.12285 161.3912 19.04792 -30.05365      35.64000 
1 1 1 15  8  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  8  20 o 378.5696 9.586102 4220.023       212.6615 4326.473       330.8699 4145.095       277.5936 382.2327 14.78764 374.6152 12.65311 7.617554       19.46216 
1 1 1 15  8  21 o 233.5549 10.09567 1609.301       137.9583 1581.355       234.5602 1624.082       170.5829 230.1179 17.51163 234.2576 12.46110 -4.139709      21.49270 
1 1 1 15  8  22 o 332.2342 9.288799 3251.382       180.8123 3312.030       278.7667 3207.337       237.5619 334.3093 14.25080 329.4122 12.31834 4.897095       18.83685 
1 1 1 15  8  23 o 244.7324 9.724016 1766.495       139.2907 1780.038       234.0401 1759.067       173.3314 244.3772 16.42513 243.8213 12.15984 0.5559235      20.43640 
1 1 1 15  8  24 o 323.4656 8.959239 3081.512       169.7975 3167.826       279.8726 3031.237       213.5994 326.7949 14.63991 320.3864 11.38588 6.408508       18.54630 
1 1 1 15  8  25 f 35.32272 17.42302 -279.8882      129.6836 -254.5488      213.5083 -294.7017      163.2470 53.11478 25.23721 41.82329 20.40414 11.29149       32.45374 
1 1 1 15  8  26 o 218.5431 11.99191 1413.532       153.1117 1334.177       250.9739 1460.576       193.2380 210.4027 20.60265 221.6034 14.95605 -11.20064      25.45884 
1 1 1 15  8  27 o 41.15390 19.66378 -177.1114      133.3999 -97.87173      217.0629 -225.2040      169.1038 62.33694 28.10234 46.18203 22.08615 16.15491       35.74268 
1 1 1 15  8  28 o 171.7313 13.21869 877.3252       132.1101 904.5474       222.5880 862.5206       164.1486 172.1093 22.59730 169.5424 16.72616 2.566833       28.11410 
1 1 1 15  8  29 o 225.5836 10.54744 1504.482       139.1557 1019.872       220.8745 1823.439       179.1909 183.2192 20.93039 248.0359 12.35722 -64.81671      24.30601 
1 1 1 15  8  30 o 291.4121 9.337670 2506.171       159.3807 2461.901       262.0057 2532.176       200.8073 287.1870 15.61464 292.3846 11.73431 -5.197601      19.53231 
1 1 1 15  8  31 o 186.5857 18.93521 1055.564       204.3380 846.0791       225.1358 2034.827       486.7631 165.1783 23.93702 252.1481 33.76418 -86.96974      41.38842 
1 1 1 15  8  32 o 148.9653 14.54263 666.7357       125.4350 766.9185       196.9010 598.3093       162.7282 157.6435 21.88671 139.3645 20.52333 18.27899       30.00391 
1 1 1 15  8  33 o 121.5196 19.17261 455.6475       132.1150 495.7861       218.1150 432.3871       166.0396 123.2210 30.37802 116.5006 25.04675 6.720413       39.37212 
1 1 1 15  8  34 o 161.5453 13.79392 784.0981       129.4379 645.7099       214.7047 863.1121       162.2347 141.8102 26.79739 168.6637 16.61663 -26.85352      31.53114 
1 1 1 15  8  35 o 36.48186 17.57951 -162.3214      111.8133 -297.6896      185.7881 -85.44629      140.0078 45.26892 22.01370 47.83684 21.95173 -2.567917      31.08829 
1 1 1 15  8  36 o 220.9292 9.401627 1450.794       121.5382 1332.369       191.0590 1531.289       157.5180 209.2005 15.68659 226.0728 11.92255 -16.87230      19.70320 
1 1 1 15  8  37 o 93.89216 20.60145 284.5054       110.3198 201.2379       167.2864 348.5870       146.7538 80.52756 28.42954 102.5093 24.70320 -21.98177      37.66280 
1 1 1 15  8  38 o 199.7602 10.50667 1194.947       122.6577 1130.410       181.4194 1249.287       166.4714 191.5052 16.30798 202.6070 14.09783 -11.10179      21.55687 
1 1 1 15  8  39 o 78.27569 22.89733 202.4187       111.7554 20.04913       171.4660 337.1012       147.3525 60.54608 26.21894 99.69608 25.19473 -39.15001      36.36216 
1 1 1 15  8  40 o 91.21491 20.82044 274.8068       108.9186 378.8870       170.4395 202.9633       141.6056 103.8437 27.53960 78.16013 26.21163 25.68360       38.01946 
1 1 1 15  8  41 o 92.92916 21.67966 289.0231       115.9825 181.8414       167.4672 387.8216       160.7848 75.94581 28.21007 105.4028 26.13896 -29.45695      38.45846 
1 1 1 15  8  42 o 102.5119 20.79341 349.4529       120.7311 346.8497       180.3201 351.5680       162.5398 97.30575 29.24381 99.11076 27.16162 -1.805016      39.91183 
1 1 1 15  8  43 o 78.61897 24.44493 214.3219       124.6187 212.8536       193.2205 215.3678       163.0665 79.49511 30.13760 78.92200 28.04891 0.5731125      41.17057 
1 1 1 15  8  44 o 78.78036 24.56688 217.0408       125.7653 274.4252       203.4046 181.5257       160.0187 86.19613 31.24154 74.12669 27.56770 12.06944       41.66547 
1 1 1 15  8  45 o 60.44620 24.30951 90.52288       131.9528 165.6899       216.1929 45.89724       166.5789 74.83649 30.73490 59.91769 25.89463 14.91880       40.18913 
1 1 1 15  8  46 o 51.84338 22.86316 4.268793       135.6703 82.87032       219.1885 -44.54744      172.7366 68.02189 29.54894 53.66110 24.53371 14.36079       38.40628 
1 1 1 15  9  0  o 529.5317 25.06290 8303.535       776.1391 0.000000       0.000000 8303.535       776.1391 ?        ?        529.5317 25.06290 0.000000       25.06290 
1 1 1 15  9  1  o 398.8468 13.24304 4679.925       309.3439 4941.785       423.2871 4379.747       453.1999 409.3589 17.67277 384.9953 20.14174 24.36353       26.79583 
1 1 1 15  9  2  o 428.9691 13.71260 5414.017       344.5386 5453.166       458.0898 5363.026       522.7999 429.9754 18.20709 425.9905 20.99059 3.984894       27.78674 
1 1 1 15  9  3  o 464.3719 14.33701 6345.688       389.9908 6811.985       546.1862 5860.685       557.0343 480.4568 19.42370 445.2792 21.39298 35.17761       28.89532 
1 1 1 15  9  4  o 62.76098 27.90605 -76.36972      206.2195 126.1865       250.2647 -504.7999      363.9711 85.87341 33.82133 67.39793 32.27811 18.47549       46.75210 
1 1 1 15  9  5  o 583.6563 21.93806 10065.74       749.6047 10065.74       749.6047 0.000000       0.000000 583.6563 21.93806 ?        ?        0.000000       21.93806 
1 1 1 15  9  6  o 421.7769 19.06252 5252.551       470.3159 5252.551       470.3159 0.000000       0.000000 421.7769 19.06252 ?        ?        0.000000       19.06252 
1 1 1 15  9  7  o 266.3669 20.52950 2105.113       318.2346 2105.113       318.2346 0.000000       0.000000 266.3669 20.52950 ?        ?        0.000000       20.52950 
1 1 1 15  9  8  o 100.7792 32.70353 293.4592       221.0468 293.4592       221.0468 0.000000       0.000000 100.7792 32.70353 ?        ?        0.000000       32.70353 
1 1 1 15  9  9  o 546.3455 13.60437 8779.100       435.9095 8779.100       435.9095 0.000000       0.000000 546.3455 13.60437 ?        ?        0.000000       13.60437 
1 1 1 15  9  10 o 745.7493 15.90824 16380.08       695.7695 16380.08       695.7695 0.000000       0.000000 745.7493 15.90824 ?        ?        0.000000       15.90824 
1 1 1 15  9  11 o 99.46912 37.28976 226.9958       293.9580 226.9958       293.9580 0.000000       0.000000 99.46912 37.28976 ?        ?        0.000000       37.28976 
1 1 1 15  9  12 o 406.9183 12.61673 4875.813       300.7318 4875.813       300.7318 0.000000       0.000000 406.9183 12.61673 ?        ?        0.000000       12.61673 
1 1 1 15  9  13 o 319.3674 17.02678 3018.319       317.7614 3018.319       317.7614 0.000000       0.000000 319.3674 17.02678 ?        ?        0.000000       17.02678 
1 1 1 15  9  14 o 244.3378 14.18176 1764.979       202.3489 1380.564       277.0203 2204.700       296.2786 214.5755 22.33981 272.4351 18.65588 -57.85962      29.10513 
1 1 1 15  9  15 o 153.0903 19.87686 705.6842       174.2528 733.5199       251.0180 679.7942       242.0859 154.1219 28.83046 148.2239 28.88699 5.898010       40.81242 
1 1 1 15  9  16 o 330.2904 10.68093 3212.971       206.6257 3243.693       303.9152 3186.564       281.7658 331.0363 15.69877 328.2960 14.67138 2.740326       21.48722 
1 1 1 15  9  17 o 401.0752 9.988482 4732.099       234.9502 4632.030       348.4609 4815.513       318.1443 395.7368 15.04141 403.8535 13.45105 -8.116791      20.17857 
1 1 1 15  9  18 o 688.3555 18.38961 14066.01       741.7313 14066.01       741.7313 0.000000       0.000000 688.3555 18.38961 ?        ?        0.000000       18.38961 
1 1 1 15  9  19 o 102.6069 22.71141 326.5250       133.0531 455.4493       217.0565 248.9211       168.4020 120.2820 30.67742 90.96159 28.43727 29.32037       41.83040 
1 1 1 15  9  20 o 619.0045 9.902530 11280.07       359.4930 12202.17       664.9435 10899.24       427.3289 640.8212 17.70981 607.9123 11.98590 32.90894       21.38456 
1 1 1 15  9  21 o 155.9696 16.88536 730.1112       151.9943 0.000000       0.000000 730.1112       151.9943 ?        ?        155.9696 16.88536 0.000000       16.88536 
1 1 1 15  9  22 o 259.7924 10.02936 1990.876       152.5224 2291.743       255.4814 1824.262       190.1203 277.6014 15.75703 248.1384 13.11076 29.46295       20.49819 
1 1 1 15  9  23 o 377.3231 8.550677 4188.654       189.2189 4047.680       311.0490 4271.470       238.4046 369.5411 14.37955 380.5354 10.69300 -10.99432      17.91959 
1 1 1 15  9  24 o 288.5887 9.347864 2454.261       158.0043 2290.740       260.1677 2549.818       198.8828 277.4557 16.05715 293.7792 11.56579 -16.32352      19.78888 
1 1 1 15  9  25 o 62.52179 24.77925 66.65260       135.1060 215.6556       242.0052 -0.8157752     162.8461 92.10247 33.96632 60.27686 25.82015 31.82561       42.66604 
1 1 1 15  9  26 o 213.8528 12.64473 1355.239       157.8818 1108.759       267.8626 1486.453       195.4390 190.4684 24.54975 223.5409 14.99418 -33.07251      28.76657 
1 1 1 15  9  27 f 467.7785 9.154466 6441.812       251.1446 6286.159       402.7878 6540.814       321.2345 460.3593 14.93840 470.7917 11.63437 -10.43237      18.93448 
1 1 1 15  9  28 o 136.6387 16.21758 562.3242       127.4284 634.7679       226.2161 528.6525       154.2250 142.0082 28.15685 131.3403 20.70707 10.66794       34.95126 
1 1 1 15  9  29 o 421.7580 8.846626 5239.267       218.8223 5347.122       362.3973 5177.379       274.5155 424.2275 14.58755 418.5581 11.19310 5.669373       18.38701 
1 1 1 15  9  30 o 108.8435 21.57344 369.3479       132.8439 95.07827       221.8038 522.7636       165.8880 77.31544 31.36534 129.6999 22.63116 -52.38450      38.67756 
1 1 1 15  9  31 o 98.08308 23.16358 303.7512       131.1024 314.1335       217.9397 297.8636       164.1175 100.3993 32.46429 96.87466 27.57073 3.524689       42.59196 
1 1 1 15  9  32 o 98.74477 30.62111 308.5449       195.6908 385.7522       217.2224 -24.01145      450.8248 109.1874 31.91829 93.89626 41.53077 15.29115       52.37922 
1 1 1 15  9  33 o 189.8010 12.24206 1073.983       135.5442 1186.088       215.4181 1000.512       174.3936 197.3695 18.83850 181.9350 16.52428 15.43456       25.05875 
1 1 1 15  9  34 o 53.46653 22.58816 16.88192       121.6742 -155.2680      200.8686 116.6570       152.9219 55.00923 25.60916 70.04572 26.75023 -15.03648      37.03247 
1 1 1 15  9  35 o 104.7724 18.47833 343.5664       109.3947 238.6222       170.8034 416.5552       142.4444 86.81961 28.77975 114.2806 22.05199 -27.46104      36.25692 
1 1 1 15  9  36 o 83.36608 22.22016 225.5262       110.6061 38.51701       180.0084 338.9567       140.1929 64.39825 27.35206 101.6842 23.91249 -37.28600      36.33101 
1 1 1 15  9  37 o 185.9761 11.11229 1037.393       120.6497 1207.539       191.7697 925.9269       155.2177 198.0346 16.66608 173.8855 15.37882 24.14902       22.67744 
1 1 1 15  9  38 o 182.9559 11.20147 1006.139       119.6149 1123.254       188.9342 927.7948       154.5277 190.3517 17.10626 173.8251 15.31449 16.52655       22.95992 
1 1 1 15  9  39 o 45.49091 20.29707 -27.30112      110.0683 -197.5636      174.4023 85.40970       141.8978 46.73782 22.37284 62.87902 25.23629 -16.14120      33.72557 
1 1 1 15  9  40 o 99.62440 19.81593 323.9239       111.7033 219.7683       177.8019 391.8390       143.5747 81.44210 29.24985 107.8862 23.36867 -26.44411      37.43859 
1 1 1 15  9  41 o 55.21619 22.65083 54.58850       117.2480 196.8463       184.4975 -41.78480      151.8556 78.45605 29.51465 51.74269 23.39896 26.71336       37.66465 
1 1 1 15  9  42 o 68.75610 26.97339 132.0198       158.6385 -96.66064      402.0107 174.1976       172.6494 75.54922 35.51170 74.60971 28.44029 0.9395065      45.49649 
1 1 1 15  9  43 o 99.35905 22.35285 337.5842       127.0922 335.9370       214.4169 338.4763       157.8004 93.59029 32.24114 96.70015 26.86521 -3.109863      41.96702 
1 1 1 15  9  44 o 104.7153 22.50367 376.4861       134.0840 260.5453       219.5028 445.5007       169.3528 84.63482 32.11368 111.2609 26.36065 -26.62613      41.54723 
1 1 1 15  9  45 o 124.5109 19.14454 510.8816       135.3285 300.8950       219.3176 639.9893       171.9704 88.27106 32.37196 137.2250 22.12021 -48.95390      39.20775 
1 1 1 15  9  46 o 44.61792 20.66954 -68.82666      128.4008 -16.58164      202.9290 -103.7085      165.8140 59.30908 26.91170 48.81842 22.90258 10.49065       35.33790 
1 1 1 15  10 0  o 229.6941 16.67556 1560.718       223.1068 1560.718       223.1068 0.000000       0.000000 229.6941 16.67556 ?        ?        0.000000       16.67556 
1 1 1 15  10 1  f 386.5973 12.84796 4396.816       290.8973 4174.009       373.4311 4740.684       463.9196 376.2056 16.96892 400.5827 19.80838 -24.37714      26.08287 
1 1 1 15  10 2  o 177.1416 17.75709 933.0781       181.9924 1034.805       228.0181 754.5326       302.0823 186.1176 21.27121 156.3114 33.92791 29.80621       40.04457 
1 1 1 15  10 3  o 721.5852 17.79332 15332.25       753.0002 15656.05       1065.586 15009.27       1064.221 727.2697 25.02015 711.9342 25.52967 15.33551       35.74593 
1 1 1 15  10 4  o 545.4697 15.01414 8757.965       479.8531 8835.085       663.1619 8673.212       695.2009 546.9401 20.71165 541.6651 21.92945 5.275024       30.16410 
1 1 1 15  10 5  o 146.5696 29.84728 660.2996       247.8384 660.2996       247.8384 0.000000       0.000000 146.5696 29.84728 ?        ?        0.000000       29.84728 
1 1 1 15  10 6  o 512.3048 20.16616 7753.654       604.7181 7753.654       604.7181 0.000000       0.000000 512.3048 20.16616 ?        ?        0.000000       20.16616 
1 1 1 15  10 7  f 786.9984 16.25983 18236.29       750.4823 18236.29       750.4823 0.000000       0.000000 786.9984 16.25983 ?        ?        0.000000       16.25983 
1 1 1 15  10 8  o 107.5245 30.34855 353.3994       199.6910 353.3994       199.6910 0.000000       0.000000 107.5245 30.34855 ?        ?        0.000000       30.34855 
1 1 1 15  10 9  o 602.4550 22.39809 10751.45       790.0040 10751.45       790.0040 0.000000       0.000000 602.4550 22.39809 ?        ?        0.000000       22.39809 
1 1 1 15  10 10 o 355.8683 13.52025 3731.714       281.6658 3731.714       281.6658 0.000000       0.000000 355.8683 13.52025 ?        ?        0.000000       13.52025 
1 1 1 15  10 11 o 398.7528 12.99105 4683.415       303.4021 4683.415       303.4021 0.000000       0.000000 398.7528 12.99105 ?        ?        0.000000       12.99105 
1 1 1 15  10 12 o 436.7621 16.40856 5634.418       419.5590 5634.418       419.5590 0.000000       0.000000 436.7621 16.40856 ?        ?        0.000000       16.40856 
1 1 1 15  10 13 o 471.9034 11.45082 6550.538       316.9130 6082.887       425.0085 7136.186       475.6144 453.8012 15.99414 491.4501 16.52507 -37.64890      22.99762 
1 1 1 15  10 14 o 492.4609 9.568147 7128.467       276.3440 7306.797       357.7636 6864.693       435.1113 498.2057 12.24439 482.1115 15.40850 16.09427       19.68113 
1 1 1 15  10 15 o 692.7075 12.95579 14138.04       526.3373 13649.37       717.2531 14708.24       774.7775 678.8887 18.03051 704.4590 18.76972 -25.57031      26.02694 
1 1 1 15  10 16 o 145.4325 20.57195 640.2789       170.5708 673.2614       240.7015 607.0089       241.7489 147.2341 28.90760 139.3222 30.43962 7.911865       41.97880 
1 1 1 15  10 17 o 371.4523 10.13177 4062.956       220.5124 3963.331       328.5825 4144.592       297.4412 365.8776 15.34700 374.5530 13.56298 -8.675354      20.48133 
1 1 1 15  10 18 o 391.6241 9.943853 4516.299       228.2040 4400.149       336.3093 4615.416       310.6716 385.5451 14.90156 395.2239 13.42265 -9.678864      20.05552 
1 1 1 15  10 19 o 463.8651 10.10619 6334.591       274.9347 6541.447       419.1250 6178.350       364.2559 469.9641 15.22657 457.1813 13.60037 12.78275       20.41613 
1 1 1 15  10 20 o 257.3506 9.678479 1952.434       145.8171 1765.065       250.0125 2049.031       179.5112 243.1453 17.65279 263.3399 11.65202 -20.19466      21.15161 
1 1 1 15  10 21 o 466.2131 8.800738 6395.174       240.6324 6952.127       436.3126 6151.714       288.4707 484.1834 15.38470 456.8716 10.76607 27.31183       18.77757 
1 1 1 15  10 22 o 39.56806 18.69430 -128.6196      114.0078 -56.63880      220.9733 -154.7305      133.0891 65.75016 29.07911 42.40894 20.08458 23.34122       35.34098 
1 1 1 15  10 23 o 156.4692 14.31945 730.4230       129.9479 972.8353       240.3372 630.2780       154.4751 178.5123 23.52864 144.3349 18.68709 34.17735       30.04670 
1 1 1 15  10 24 o 284.1183 9.583951 2379.447       159.4675 2330.275       282.0277 2402.555       193.3420 279.5349 17.28763 285.1568 11.58503 -5.621826      20.81045 
1 1 1 15  10 25 o 149.8192 16.47892 673.7819       142.4048 793.3926       262.4616 623.8795       169.5279 159.2860 29.17019 143.0993 20.80943 16.18669       35.83200 
1 1 1 15  10 26 o 227.0417 11.74908 1525.041       155.9122 1542.278       282.6934 1517.505       186.9095 225.9944 21.59101 226.0262 14.17141 -0.3178406E-01 25.82636 
1 1 1 15  10 27 o 112.5745 20.46528 390.2421       130.1408 254.9802       229.0050 454.7619       158.1625 95.07295 33.28734 121.0868 23.11474 -26.01389      40.52578 
1 1 1 15  10 28 f 117.3671 19.45447 422.3474       129.2242 110.0123       234.9670 557.7814       154.7250 80.70364 32.44520 135.0836 20.14522 -54.37996      38.19059 
1 1 1 15  10 29 o 58.06961 23.71551 42.35078       127.8161 -164.2332      222.6781 143.8575       156.0905 58.97792 27.28618 74.81234 27.33014 -15.83442      38.61958 
1 1 1 15  10 30 o 61.52223 24.15815 71.99123       127.3542 -29.67928      222.2571 121.6912       155.3947 67.21805 29.46587 71.73678 27.06517 -4.518730      40.00951 
1 1 1 15  10 31 f 244.4430 10.55996 1769.406       151.0305 1920.006       261.8852 1694.358       184.8706 252.4417 17.80302 238.5187 13.26813 13.92302       22.20339 
1 1 1 15  10 32 o 89.72268 24.28987 255.2018       130.9199 290.1802       238.6931 240.1512       156.5729 98.10017 34.00690 87.82793 27.41471 10.27224       43.68106 
1 1 1 15  10 33 o 299.5636 14.24513 2684.352       249.5512 2695.726       290.0757 2651.962       489.5144 299.1515 16.59876 288.8256 29.30393 10.32590       33.67847 
1 1 1 15  10 34 o 272.6298 9.041356 2200.382       144.3631 2212.979       220.0775 2190.867       191.2623 271.6874 13.85774 271.0425 12.06232 0.6449280      18.37217 
1 1 1 15  10 35 o 64.09412 22.55108 116.8903       105.1911 45.90387       165.2250 165.2747       136.4082 63.30384 26.50719 74.33119 25.71096 -11.02735      36.92810 
1 1 1 15  10 36 o 65.85656 22.70141 128.8304       106.3084 138.8515       166.9751 121.9994       137.8598 72.93784 27.92818 67.89507 25.51912 5.042770       37.83132 
1 1 1 15  10 37 o 121.2618 16.00510 455.7888       111.0472 330.9825       172.1669 544.7000       145.3147 98.37855 28.31594 131.1507 19.48360 -32.77215      34.37154 
1 1 1 15  10 38 f 234.2696 9.647771 1638.420       132.2705 1805.408       216.6219 1539.148       167.0220 242.7456 15.29373 225.6001 12.67458 17.14546       19.86312 
1 1 1 15  10 39 o 129.6959 16.22794 525.5793       120.7413 352.1429       195.3336 632.8223       153.5999 99.21811 30.56327 140.9246 19.07383 -41.70653      36.02672 
1 1 1 15  10 40 o 204.3494 11.03119 1259.982       131.7144 986.4587       205.5089 1450.668       171.5905 174.8594 20.42390 217.8137 13.49886 -42.95425      24.48173 
1 1 1 15  10 41 f 116.1879 18.85840 436.4918       124.1019 515.3853       202.0980 388.7344       157.2397 119.3777 29.12792 105.5571 25.65401 13.82067       38.81448 
1 1 1 15  10 42 o 130.6698 16.68048 542.3619       124.9199 538.2185       199.3711 545.0400       160.2842 121.8295 28.42569 127.3958 22.26280 -5.566284      36.10612 
1 1 1 15  10 43 o 132.1195 24.28865 603.2543       181.2675 480.7634       440.5329 628.2202       198.8843 102.9120 43.20002 133.0854 26.41348 -30.17345      50.63511 
1 1 1 15  10 44 o 80.97209 25.22487 232.9820       132.6283 236.7583       201.5543 230.0982       176.1347 81.54472 30.81100 80.32380 29.07771 1.220917       42.36545 
1 1 1 15  10 45 o 146.7794 17.50984 695.6753       147.7604 573.3336       219.0145 797.8824       200.1825 121.8795 30.66940 152.4574 23.11240 -30.57785      38.40306 
1 1 1 15  11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  11 1  o 333.4427 12.22690 3271.433       238.6999 3095.023       304.6177 3552.087       384.2190 323.9060 16.08595 346.6707 18.97009 -22.76474      24.87212 
1 1 1 15  11 2  o 616.5770 22.89933 11244.96       826.6191 0.000000       0.000000 11244.96       826.6191 ?        ?        616.5770 22.89933 0.000000       22.89933 
1 1 1 15  11 3  o 423.2009 13.29853 5270.325       329.6563 5340.697       440.0546 5180.328       497.6487 425.4519 17.67472 418.5862 20.33239 6.865662       26.94071 
1 1 1 15  11 4  o 782.4435 18.94347 18047.74       869.2866 18038.00       1216.006 18057.93       1243.158 779.7891 26.62843 780.0207 27.21671 -0.2315674     38.07653 
1 1 1 15  11 5  o 436.0668 13.67962 5597.540       349.4138 5592.994       462.7118 5603.571       533.0007 435.2528 18.16663 435.1830 20.94510 0.6985474E-01  27.72586 
1 1 1 15  11 6  o 719.7297 24.99912 15361.08       1053.622 15361.08       1053.622 0.000000       0.000000 719.7297 24.99912 ?        ?        0.000000       24.99912 
1 1 1 15  11 7  o 138.1135 26.19644 584.0523       204.4303 584.0523       204.4303 0.000000       0.000000 138.1135 26.19644 ?        ?        0.000000       26.19644 
1 1 1 15  11 8  o 600.0604 13.99314 10595.97       492.4483 10595.97       492.4483 0.000000       0.000000 600.0604 13.99314 ?        ?        0.000000       13.99314 
1 1 1 15  11 9  o 536.1988 13.51754 8465.653       424.7444 8465.653       424.7444 0.000000       0.000000 536.1988 13.51754 ?        ?        0.000000       13.51754 
1 1 1 15  11 10 o 164.0661 21.01721 809.0672       197.5910 809.0672       197.5910 0.000000       0.000000 164.0661 21.01721 ?        ?        0.000000       21.01721 
1 1 1 15  11 11 o 375.1507 16.77652 4160.519       368.1783 4160.519       368.1783 0.000000       0.000000 375.1507 16.77652 ?        ?        0.000000       16.77652 
1 1 1 15  11 12 o 461.4387 15.88086 6288.409       429.1319 6288.409       429.1319 0.000000       0.000000 461.4387 15.88086 ?        ?        0.000000       15.88086 
1 1 1 15  11 13 o 72.33219 31.79148 -58.77235      260.2748 -58.77235      260.2748 0.000000       0.000000 72.33219 31.79148 ?        ?        0.000000       31.79148 
1 1 1 15  11 14 o 436.8896 9.361264 5610.886       239.8594 5601.266       304.5889 5626.589       389.1719 436.0213 11.92240 436.3590 15.23047 -0.3377075     19.34195 
1 1 1 15  11 15 o 223.0338 21.06152 1491.032       272.2306 1491.032       272.2306 0.000000       0.000000 223.0338 21.06152 ?        ?        0.000000       21.06152 
1 1 1 15  11 16 f 287.3710 11.30865 2435.581       190.2198 2382.178       278.0729 2482.549       260.7816 283.2141 16.81718 289.4266 15.41907 -6.212555      22.81590 
1 1 1 15  11 17 o 231.4579 18.76000 1600.514       252.4759 1600.514       252.4759 0.000000       0.000000 231.4579 18.76000 ?        ?        0.000000       18.76000 
1 1 1 15  11 18 o 199.0371 12.30715 1172.718       142.9594 1311.199       242.2489 1098.721       177.0822 208.9705 20.01052 192.0208 15.86595 16.94972       25.53722 
1 1 1 15  11 19 o 126.1351 19.02140 483.5092       136.3400 781.9507       235.2407 332.5521       167.3053 159.1988 26.09904 103.0958 27.25916 56.10301       37.73886 
1 1 1 15  11 20 o 578.9465 9.552254 9867.421       324.3358 10408.50       582.5379 9624.345       390.4503 591.9559 16.79669 571.2241 11.65490 20.73187       20.44420 
1 1 1 15  11 21 o 228.6105 10.17562 1542.644       136.0874 2063.580       258.3649 1342.621       160.0961 263.0980 16.83253 212.8063 12.88803 50.29163       21.19989 
1 1 1 15  11 22 o 275.4645 8.977073 2235.568       144.8340 2310.678       264.0319 2203.239       173.2216 278.6001 16.22965 273.1714 10.83374 5.428680       19.51336 
1 1 1 15  11 23 o 414.4933 8.825938 5055.592       214.5502 5071.934       354.3909 5046.137       269.5635 413.6535 14.63119 413.5346 11.12483 0.1189575      18.38025 
1 1 1 15  11 24 o 191.0756 12.28249 1082.113       136.9102 1081.277       266.3052 1082.413       159.6204 188.0134 24.75192 190.7291 14.37571 -2.715698      28.62374 
1 1 1 15  11 25 o 209.3672 12.34536 1298.542       150.9146 1453.856       288.2908 1239.915       177.1219 219.0465 22.77312 204.0933 14.90032 14.95316       27.21460 
1 1 1 15  11 26 o 145.5932 16.08087 636.4421       135.0243 417.8475       260.6402 716.6268       157.8584 115.4010 35.25954 154.2189 17.77837 -38.81789      39.48804 
1 1 1 15  11 27 o 141.5698 16.69598 603.9442       135.9591 780.6498       244.7090 525.0417       163.5198 158.1454 27.37490 130.5080 22.15541 27.63745       35.21714 
1 1 1 15  11 28 o 131.6572 16.91341 524.4012       127.5817 285.6167       244.2776 613.9684       149.6081 99.11976 34.40013 142.2609 18.35923 -43.14112      38.99270 
1 1 1 15  11 29 f 337.8720 9.113019 3367.497       180.4132 3459.797       309.0067 3319.762       222.2213 340.5755 15.51121 334.9256 11.32955 5.649902       19.20823 
1 1 1 15  11 30 f 106.2687 22.21349 354.1523       133.9792 188.5265       229.0472 440.2972       165.1870 86.94061 32.84625 118.0886 24.64915 -31.14796      41.06649 
1 1 1 15  11 31 f 235.8407 10.47376 1647.394       144.5064 1307.809       245.2429 1828.008       178.8535 207.0930 20.45907 247.9897 12.33613 -40.89668      23.89045 
1 1 1 15  11 32 o 105.7241 21.69650 351.6201       130.0157 206.0111       245.4987 408.3792       153.2754 89.51743 33.96309 113.5035 23.78790 -23.98605      41.46511 
1 1 1 15  11 33 f 263.2298 10.09737 2054.088       155.5923 1772.562       265.8067 2200.832       191.9057 241.1905 18.94315 271.8608 12.06630 -30.67033      22.45971 
1 1 1 15  11 34 o 151.4307 23.63686 727.8365       203.0657 744.0422       228.7135 667.4929       441.3392 151.6333 26.69303 134.6475 46.26083 16.98576       53.40956 
1 1 1 15  11 35 o 182.1360 11.46990 993.5443       121.8976 832.1716       192.0306 1102.454       157.7571 162.8654 20.56181 190.8622 14.19513 -27.99680      24.98579 
1 1 1 15  11 36 o 107.5443 19.41681 367.6648       117.9606 394.3985       178.2155 346.8204       157.3661 107.7595 27.96154 101.6936 26.21805 6.065964       38.33059 
1 1 1 15  11 37 o 68.81248 23.13554 146.8002       110.3140 329.1895       186.0720 47.95080       136.9836 97.60686 29.78574 58.41512 24.27254 39.19175       38.42325 
1 1 1 15  11 38 o 48.91212 20.88227 13.27230       105.8749 25.74241       177.9907 6.443989       131.7101 61.98442 26.77730 53.02139 22.96979 8.963032       35.27939 
1 1 1 15  11 39 o 66.96970 22.76603 141.0025       106.8275 154.8893       180.0122 133.4531       132.7257 74.13841 28.83463 67.69208 25.11973 6.446335       38.24182 
1 1 1 15  11 40 o 75.50757 23.55674 190.6811       115.6217 17.47440       184.7409 302.2132       148.2451 61.37696 26.88587 93.06758 26.10668 -31.69062      37.47544 
1 1 1 15  11 41 o 124.3157 17.96786 495.6115       127.2047 529.6442       192.5366 469.2496       169.4549 122.0073 27.56042 116.0696 25.58376 5.937721       37.60459 
1 1 1 15  11 42 o 42.89214 19.97242 -82.42579      122.2786 -191.2393      202.8336 -20.30194      153.2596 50.67290 24.22161 53.17654 23.82219 -2.503639      33.97327 
1 1 1 15  11 43 o 181.6677 13.27140 1018.606       140.4231 934.9908       227.1456 1070.331       178.6519 165.0162 24.18869 183.5711 16.77941 -18.55498      29.43878 
1 1 1 15  11 44 o 75.40519 26.19731 198.0583       141.6875 105.3886       238.8682 248.3623       175.9911 71.58181 30.97200 82.42970 29.15447 -10.84789      42.53526 
1 1 1 15  11 45 o 145.4423 17.53374 683.6138       146.5462 250.1136       215.0968 1059.147       200.1996 82.68308 31.68848 179.6954 19.29865 -97.01235      37.10253 
1 1 1 15  12 0  o 410.2406 12.36534 4951.033       297.1660 4658.491       380.4722 5408.659       475.8655 397.4384 16.35806 427.8845 19.01046 -30.44611      25.07955 
1 1 1 15  12 1  o 343.6612 12.11217 3475.289       243.7381 3454.622       310.7184 3508.350       392.9914 342.2553 15.52022 344.3431 19.54012 -2.087830      24.95382 
1 1 1 15  12 2  o 147.3199 18.48921 649.6728       156.2368 630.3278       180.3760 707.7872       312.6335 144.4675 21.98129 150.9084 35.85690 -6.440857      42.05822 
1 1 1 15  12 3  f 398.2108 12.88578 4667.098       300.5400 4922.185       396.1741 4321.297       461.2693 408.4763 16.57186 382.0340 20.66434 26.44238       26.48852 
1 1 1 15  12 4  o 151.8183 18.78091 689.9750       163.6588 737.3719       190.0295 553.8661       322.0251 156.5992 21.23783 134.2398 38.75288 22.35947       44.19085 
1 1 1 15  12 5  o 452.7385 13.61404 6035.046       361.0698 6451.879       496.5684 5567.412       525.9576 467.4014 18.14950 433.6490 20.74066 33.75235       27.56047 
1 1 1 15  12 6  o 223.6981 18.86277 1486.996       245.1638 1486.996       245.1638 0.000000       0.000000 223.6981 18.86277 ?        ?        0.000000       18.86277 
1 1 1 15  12 7  o 286.4454 13.58376 2419.739       227.5482 2419.739       227.5482 0.000000       0.000000 286.4454 13.58376 ?        ?        0.000000       13.58376 
1 1 1 15  12 8  o 267.0898 14.24645 2106.155       222.3517 2106.155       222.3517 0.000000       0.000000 267.0898 14.24645 ?        ?        0.000000       14.24645 
1 1 1 15  12 9  o 237.2359 15.14251 1664.944       209.5830 1664.944       209.5830 0.000000       0.000000 237.2359 15.14251 ?        ?        0.000000       15.14251 
1 1 1 15  12 10 o 333.1221 12.78725 3270.693       249.3584 3270.693       249.3584 0.000000       0.000000 333.1221 12.78725 ?        ?        0.000000       12.78725 
1 1 1 15  12 11 o 511.9933 16.23828 7743.151       486.9733 7743.151       486.9733 0.000000       0.000000 511.9933 16.23828 ?        ?        0.000000       16.23828 
1 1 1 15  12 12 o 499.8123 16.49209 7385.020       482.7676 7385.020       482.7676 0.000000       0.000000 499.8123 16.49209 ?        ?        0.000000       16.49209 
1 1 1 15  12 13 o 446.4803 15.81573 5893.820       413.4809 5893.820       413.4809 0.000000       0.000000 446.4803 15.81573 ?        ?        0.000000       15.81573 
1 1 1 15  12 14 o 102.5613 35.36217 295.4658       257.9578 295.4658       257.9578 0.000000       0.000000 102.5613 35.36217 ?        ?        0.000000       35.36217 
1 1 1 15  12 15 o 438.7108 9.416112 5660.291       242.2704 5631.685       315.1089 5701.648       378.8831 436.9815 12.30779 439.1479 14.73191 -2.166443      19.19663 
1 1 1 15  12 16 o 41.96696 20.41234 -277.9161      159.9724 -45.97718      224.1980 -518.4808      228.3289 67.30714 29.54691 45.95211 22.74864 21.35504       37.28968 
1 1 1 15  12 17 o 429.3517 9.951786 5425.643       250.5906 5378.865       365.9410 5466.947       343.8654 426.3334 14.65742 430.0728 13.65043 -3.739471      20.02934 
1 1 1 15  12 18 o 60.94596 24.45242 55.73028       133.1738 231.7998       225.8714 -38.09156      164.8812 92.65196 33.00276 57.51178 25.28965 35.14018       41.57822 
1 1 1 15  12 19 o 503.9375 10.37453 7481.061       306.6166 7724.289       464.6365 7293.433       408.0888 510.3869 15.54066 496.4458 14.03034 13.94113       20.93711 
1 1 1 15  12 20 o 516.6565 9.109410 7856.229       276.0214 8284.021       486.4671 7653.112       335.2042 528.4068 15.71511 509.4532 11.21901 18.95364       19.30883 
1 1 1 15  12 21 o 526.3973 10.46780 8165.713       323.1614 8343.072       484.5326 8023.604       433.7166 530.2695 15.59725 520.5245 14.22072 9.745056       21.10694 
1 1 1 15  12 22 o 173.3822 12.48352 892.2136       126.0884 664.0125       243.4511 975.8658       147.3980 145.2352 29.58757 181.1014 13.98605 -35.86621      32.72665 
1 1 1 15  12 23 o 40.23265 19.01403 -133.7064      118.1067 80.12544       234.1886 -206.6437      136.7743 78.33721 32.05978 40.31650 19.43123 38.02071       37.48870 
1 1 1 15  12 24 o 232.4185 11.12866 1596.300       151.2517 1750.003       278.2688 1531.848       180.1946 241.4284 19.82741 227.2359 13.58317 14.19252       24.03391 
1 1 1 15  12 25 o 175.4173 13.85624 915.7386       141.3934 583.3870       278.2429 1031.440       164.1705 134.8533 34.91113 185.9730 15.18407 -51.11978      38.07023 
1 1 1 15  12 26 o 114.7687 20.03147 404.5473       129.9279 626.8530       251.6647 323.7617       151.7099 140.3431 31.36610 101.5405 25.51120 38.80261       40.43085 
1 1 1 15  12 27 o 250.1117 10.43205 1848.183       152.6862 1716.286       280.5699 1903.681       181.9955 238.5298 20.24730 253.4841 12.27872 -14.95430      23.67953 
1 1 1 15  12 28 f 106.1247 21.15040 350.1729       127.0163 62.77518       241.9277 459.5382       149.2394 77.29643 32.19885 121.8176 21.68421 -44.52112      38.81972 
1 1 1 15  12 29 o 222.8536 10.97875 1471.369       143.0488 1381.110       250.7228 1514.931       174.1808 213.2644 20.29005 225.6228 13.22130 -12.35844      24.21753 
1 1 1 15  12 30 o 220.6266 10.78509 1442.561       139.1279 1342.787       248.7208 1487.996       167.8432 209.9746 20.45644 223.5927 12.85374 -13.61816      24.15956 
1 1 1 15  12 31 o 224.7659 10.93087 1498.410       143.6586 1501.006       244.9273 1497.048       177.3730 222.4687 18.95260 223.9815 13.56644 -1.512817      23.30771 
1 1 1 15  12 32 o 212.2177 11.76514 1340.361       145.8566 1373.074       267.8540 1326.572       173.9005 211.0470 21.96139 210.4245 14.17408 0.6224823      26.13823 
1 1 1 15  12 33 o 227.3268 10.69253 1535.857       142.1552 1562.369       250.5529 1523.271       172.6304 226.0573 19.07651 225.6407 13.10151 0.4165955      23.14223 
1 1 1 15  12 34 o 166.7363 12.70569 835.6307       123.3093 1011.166       233.9997 768.1464       145.0889 178.9957 22.80796 158.7650 15.79135 20.23071       27.74112 
1 1 1 15  12 35 o 56.31529 25.72318 -86.60930      189.3138 39.79669       207.6948 -707.4259      460.2815 68.18306 29.18222 67.71925 33.28973 0.4638062      44.26972 
1 1 1 15  12 36 f 45.62490 20.42183 -34.57481      112.3719 133.4615       201.6320 -110.2800      135.3383 75.31267 30.13172 44.61742 20.85379 30.69525       36.64425 
1 1 1 15  12 37 o 265.6652 8.886926 2099.999       138.2690 2259.267       225.3156 2003.789       175.1208 272.5872 14.14239 258.1925 11.59452 14.39471       18.28771 
1 1 1 15  12 38 o 44.60708 20.11109 -39.50300      111.1916 -171.5964      188.9896 30.42853       137.5099 50.51533 23.92667 56.26437 23.90211 -5.749039      33.82006 
1 1 1 15  12 39 o 214.9100 11.11989 1393.291       139.6780 1577.579       245.8089 1305.408       169.7461 222.9563 18.97891 206.2510 14.11823 16.70529       23.65425 
1 1 1 15  12 40 o 112.5907 18.77732 409.5088       119.6257 280.4252       207.9540 473.3504       146.2458 88.81551 31.66345 119.5191 21.66129 -30.70363      38.36385 
1 1 1 15  12 41 o 69.08233 24.70048 151.8689       126.6424 325.2411       216.8745 62.16152       156.0030 93.17606 32.40887 61.04113 25.67074 32.13494       41.34394 
1 1 1 15  12 42 o 167.4667 14.00648 870.0395       136.3062 930.8547       240.0894 841.1146       165.5780 163.2500 25.94369 162.0546 17.70967 1.195358       31.41190 
1 1 1 15  12 43 o 104.8725 22.53491 377.4567       134.4702 206.2541       236.7110 459.0307       163.3952 80.03847 32.42695 114.0286 25.11305 -33.99010      41.01429 
1 1 1 15  12 44 o 51.62096 22.67283 7.047943       132.1718 -341.5394      216.6071 213.8310       166.8301 46.28163 22.76818 77.82956 28.28152 -31.54793      36.30750 
1 1 1 15  12 45 o 65.42428 25.06790 130.0348       134.5848 64.27122       214.1532 172.9625       173.0217 66.11665 28.95497 72.89321 28.29183 -6.776558      40.48232 
1 1 1 15  13 0  o 524.5383 13.90272 8100.435       427.3115 7487.036       554.2225 8999.575       671.0060 503.4315 18.80430 551.5748 20.78015 -48.14337      28.02528 
1 1 1 15  13 1  o 609.6526 15.41380 10950.49       550.6736 10759.13       750.6091 11173.53       810.3586 603.0196 21.25748 614.1997 22.53482 -11.18011      30.97900 
1 1 1 15  13 2  o 257.1573 12.36515 1948.828       185.9406 1897.983       225.5826 2056.585       328.4012 253.4428 15.24713 262.9117 21.48547 -9.468948      26.34579 
1 1 1 15  13 3  o 79.81675 25.04053 186.9942       130.4582 241.8104       148.4493 1.070896       273.3951 89.55422 26.44232 78.64761 33.56633 10.90661       42.73049 
1 1 1 15  13 4  o 552.3381 14.66609 8987.685       474.6631 9085.562       648.3915 8874.658       696.7662 554.2449 19.98004 547.3328 21.74957 6.912048       29.53380 
1 1 1 15  13 5  o 433.0346 13.12905 5521.823       333.0461 5677.467       440.8225 5314.832       508.3616 438.4548 17.17629 423.5505 20.52636 14.90433       26.76484 
1 1 1 15  13 6  o 118.8009 21.38791 430.0627       143.5386 499.1198       159.1353 128.6657       332.4541 128.1005 21.97259 95.24313 38.48616 32.85740       44.31680 
1 1 1 15  13 7  o 333.9073 12.44739 3284.440       243.3289 3284.440       243.3289 0.000000       0.000000 333.9073 12.44739 ?        ?        0.000000       12.44739 
1 1 1 15  13 8  o 361.4070 12.24717 3847.001       259.2119 3847.001       259.2119 0.000000       0.000000 361.4070 12.24717 ?        ?        0.000000       12.24717 
1 1 1 15  13 9  o 488.6797 12.42381 7032.195       355.7766 7032.195       355.7766 0.000000       0.000000 488.6797 12.42381 ?        ?        0.000000       12.42381 
1 1 1 15  13 10 f 390.1492 12.20137 4484.293       278.8403 4484.293       278.8403 0.000000       0.000000 390.1492 12.20137 ?        ?        0.000000       12.20137 
1 1 1 15  13 11 o 371.0903 16.63545 4075.683       361.1263 4075.683       361.1263 0.000000       0.000000 371.0903 16.63545 ?        ?        0.000000       16.63545 
1 1 1 15  13 12 o 442.3526 16.42134 5789.763       425.2784 5789.763       425.2784 0.000000       0.000000 442.3526 16.42134 ?        ?        0.000000       16.42134 
1 1 1 15  13 13 f 391.0712 15.73232 4525.854       360.0906 4525.854       360.0906 0.000000       0.000000 391.0712 15.73232 ?        ?        0.000000       15.73232 
1 1 1 15  13 14 f 513.6784 9.531092 7760.657       287.1339 7730.004       367.3667 7808.783       460.3131 512.1700 12.23024 513.8438 15.29168 -1.673706      19.58097 
1 1 1 15  13 15 o 162.9308 18.19287 796.8501       170.8788 583.4434       253.0846 975.6442       231.6532 136.0047 32.22624 179.5003 22.49789 -43.49561      39.30249 
1 1 1 15  13 16 o 370.2701 9.125429 4032.746       198.1629 3806.925       245.6517 4453.490       335.3095 359.2140 11.67598 387.8645 14.76758 -28.65045      18.82578 
1 1 1 15  13 17 o 362.4548 8.808120 3864.236       187.2353 3727.365       244.7277 4057.446       290.7650 355.3605 11.75877 370.4207 13.40643 -15.06021      17.83259 
1 1 1 15  13 18 o 172.0549 13.64462 880.2698       136.5559 1054.229       229.7874 785.2928       169.7897 186.6646 21.37512 161.5302 18.24161 25.13443       28.10075 
1 1 1 15  13 19 o 209.8805 11.64278 1303.317       142.7493 1306.111       233.2084 1301.643       180.5189 208.5047 19.28983 209.1721 14.81106 -0.6674500     24.32005 
1 1 1 15  13 20 o 193.1353 11.57303 1104.320       130.4856 1179.481       245.2456 1074.640       154.1097 197.3998 21.53251 190.1072 13.91878 7.292633       25.63945 
1 1 1 15  13 21 o 259.1922 9.964598 1981.781       151.1898 2109.848       265.5417 1920.351       183.9101 265.9383 17.11645 254.7299 12.34726 11.20833       21.10516 
1 1 1 15  13 22 o 170.2721 12.93219 861.3900       128.1758 1100.905       252.7634 778.4786       148.7150 190.1866 23.13671 161.2576 15.93276 28.92906       28.09200 
1 1 1 15  13 23 o 41.47655 19.55110 -134.0328      123.3951 -71.54730      243.1124 -155.7166      143.2138 68.24095 30.32364 44.60840 21.03820 23.63255       36.90703 
1 1 1 15  13 24 o 230.9537 11.34637 1576.935       153.2149 2067.127       312.0097 1421.171       175.8812 262.2916 20.44443 218.7892 13.77697 43.50235       24.65318 
1 1 1 15  13 25 o 390.2972 9.238644 4485.004       211.4726 4125.564       343.5829 4704.216       268.3176 372.5810 15.75950 399.1245 11.47470 -26.54352      19.49437 
1 1 1 15  13 26 o 228.6871 10.93283 1546.490       146.2061 1440.670       273.4865 1588.835       173.0035 218.0291 21.67476 231.4503 12.79498 -13.42111      25.16956 
1 1 1 15  13 27 o 249.8199 10.16056 1843.692       148.5553 1617.901       276.5092 1935.308       176.1342 231.3032 20.59871 255.6416 11.77960 -24.33839      23.72901 
1 1 1 15  13 28 o 187.5684 12.35338 1046.005       135.1362 931.8835       251.2619 1092.452       160.2937 173.1220 25.51090 191.2439 14.39723 -18.12189      29.29311 
1 1 1 15  13 29 o 245.9010 10.13528 1788.635       145.8528 2077.111       285.0318 1686.304       169.7621 262.4107 18.64225 238.2871 12.18806 24.12366       22.27291 
1 1 1 15  13 30 o 181.2300 12.29682 978.1848       129.9253 988.5551       238.4510 973.8060       154.9462 178.7423 23.30101 180.2064 14.79094 -1.464142      27.59908 
1 1 1 15  13 31 o 207.1861 11.59560 1276.274       140.3356 1165.517       265.0944 1319.398       165.4150 193.7188 23.83534 210.1640 13.49168 -16.44516      27.38885 
1 1 1 15  13 32 o 168.6197 13.57476 853.0529       133.1092 1039.397       266.9767 791.4070       153.5561 181.3164 25.83657 161.5166 16.43949 19.79980       30.62328 
1 1 1 15  13 33 o 150.2561 13.83961 681.1428       120.5877 545.3377       233.1065 730.7641       140.9064 127.4014 31.40228 155.0670 15.71044 -27.66563      35.11298 
1 1 1 15  13 34 o 238.5301 9.789659 1691.904       136.6587 1948.568       257.7805 1591.572       161.1708 252.2594 17.53329 230.5480 11.96085 21.71143       21.22447 
1 1 1 15  13 35 o 44.77812 20.33233 -54.35427      116.0805 -50.54580      213.3956 -55.95480      138.3383 62.17802 27.96168 49.26593 22.30078 12.91209       35.76563 
1 1 1 15  13 36 o 54.11238 22.76327 29.71154       122.7208 -240.0761      222.9653 146.9623       146.9887 53.09192 25.38260 71.63017 26.46171 -18.53825      36.66741 
1 1 1 15  13 37 o 179.2126 12.34149 971.6584       128.9219 1059.634       241.0387 936.4059       152.5810 180.4593 23.31958 174.6250 15.04509 5.834274       27.75171 
1 1 1 15  13 38 o 64.50948 23.67932 119.9390       117.3897 74.20814       208.1945 141.2545       142.1390 69.28424 29.42101 69.64552 25.96623 -0.3612747     39.24081 
1 1 1 15  13 39 o 105.7507 20.15364 365.7876       120.4316 459.8889       217.9312 324.4171       144.4998 111.3342 31.79884 96.92787 25.19165 14.40629       40.56828 
1 1 1 15  13 40 o 127.2430 16.28758 510.5907       118.7627 617.4145       231.4773 472.4242       138.3616 129.4013 30.92390 120.0442 20.38083 9.357063       37.03601 
1 1 1 15  13 41 o 248.2066 10.80398 1863.103       156.8938 1873.494       295.8805 1859.039       185.0524 238.7223 21.35901 246.3952 12.85036 -7.672943      24.92668 
1 1 1 15  13 42 o 60.61983 24.06979 92.66445       127.7026 158.6207       214.7702 56.59225       158.8300 74.86868 30.67810 60.38137 25.67110 14.48731       40.00189 
1 1 1 15  13 43 f 40.48675 19.27708 -126.7743      125.8784 -370.3559      213.3474 3.303765       155.9075 45.00077 22.22489 55.03902 24.37962 -10.03825      32.98957 
1 1 1 15  13 44 o 79.54172 24.83161 225.3215       128.4528 540.3156       227.4512 77.80902       155.6508 116.4711 32.21419 61.52267 25.74221 54.94843       41.23610 
1 1 1 15  13 45 o 76.55000 25.64330 209.2941       135.5353 62.73590       236.3048 281.1446       165.4559 67.71878 30.00433 86.33092 28.31250 -18.61214      41.25357 
1 1 1 15  14 0  o 486.2297 13.13011 6960.658       374.0786 6317.582       477.1237 7986.611       602.6479 462.4519 17.62420 519.5585 19.81414 -57.10663      26.51816 
1 1 1 15  14 1  o 255.4854 11.90164 1923.411       177.8395 2008.855       213.9441 1732.369       319.9070 260.8674 14.03563 240.7831 22.93065 20.08430       26.88520 
1 1 1 15  14 2  o 328.0910 11.68669 3168.940       224.5134 3193.231       285.8997 3129.862       362.6261 328.9523 14.85774 324.9940 19.10971 3.958374       24.20606 
1 1 1 15  14 3  o 189.2493 13.80873 1059.775       152.2087 1121.238       174.8919 867.8583       309.0414 194.4734 15.46131 167.5464 32.62453 26.92702       36.10280 
1 1 1 15  14 4  o 534.9087 21.39141 8482.181       669.7194 0.000000       0.000000 8482.181       669.7194 ?        ?        534.9087 21.39141 0.000000       21.39141 
1 1 1 15  14 5  f 222.1585 11.73637 1455.490       152.3714 1499.323       173.1961 1305.386       320.5028 225.3262 13.16350 207.7487 26.93900 17.57756       29.98312 
1 1 1 15  14 6  o 353.9641 13.44691 3693.841       278.6389 3367.080       359.9216 4182.622       440.1998 337.1392 18.27150 375.4937 20.06208 -38.35452      27.13549 
1 1 1 15  14 7  o 308.7488 12.01773 2808.798       217.1941 2808.798       217.1941 0.000000       0.000000 308.7488 12.01773 ?        ?        0.000000       12.01773 
1 1 1 15  14 8  o 415.9047 11.85998 5093.742       288.9912 5093.742       288.9912 0.000000       0.000000 415.9047 11.85998 ?        ?        0.000000       11.85998 
1 1 1 15  14 9  o 186.5443 14.52881 1032.081       157.6981 1032.081       157.6981 0.000000       0.000000 186.5443 14.52881 ?        ?        0.000000       14.52881 
1 1 1 15  14 10 o 114.6515 24.20582 405.9200       157.6443 405.9200       157.6443 0.000000       0.000000 114.6515 24.20582 ?        ?        0.000000       24.20582 
1 1 1 15  14 11 o 473.4353 12.03082 6604.697       333.7755 6604.697       333.7755 0.000000       0.000000 473.4353 12.03082 ?        ?        0.000000       12.03082 
1 1 1 15  14 12 o 176.4663 27.78234 956.0125       278.0327 956.0125       278.0327 0.000000       0.000000 176.4663 27.78234 ?        ?        0.000000       27.78234 
1 1 1 15  14 13 o 200.9152 14.91437 1198.877       174.4857 1198.877       174.4857 0.000000       0.000000 200.9152 14.91437 ?        ?        0.000000       14.91437 
1 1 1 15  14 14 o 97.01706 34.64526 252.3935       249.0680 252.3935       249.0680 0.000000       0.000000 97.01706 34.64526 ?        ?        0.000000       34.64526 
1 1 1 15  14 15 o 65.45609 24.99272 90.74036       133.4715 109.0295       166.8673 58.25660       222.3862 72.46316 27.87509 75.13480 31.04653 -2.671646      41.72418 
1 1 1 15  14 16 o 213.8898 11.44600 1352.292       143.0573 1235.274       179.6360 1555.180       236.5345 203.7745 15.13933 228.1935 17.81534 -24.41896      23.37917 
1 1 1 15  14 17 f 481.9727 9.124562 6835.888       257.9200 6620.553       329.1644 7178.368       415.1188 473.6016 11.86017 492.4089 14.39004 -18.80728      18.64771 
1 1 1 15  14 18 o 352.3524 8.634953 3652.534       178.4381 3554.341       248.0260 3757.886       256.9075 346.8078 12.21340 356.5915 12.30287 -9.783722      17.33573 
1 1 1 15  14 19 o 161.7955 12.21359 777.1306       115.0380 647.5425       199.5890 841.5969       140.7735 144.8491 24.35827 168.0190 14.42553 -23.16991      28.30939 
1 1 1 15  14 20 o 160.6313 13.21730 767.6841       123.4148 654.6999       242.2957 807.2667       143.4129 144.1444 29.65151 164.4075 15.04003 -20.26312      33.24778 
1 1 1 15  14 21 o 251.2739 10.32437 1863.500       151.8223 1865.950       273.1186 1862.404       182.6412 249.5915 18.79637 250.8322 12.45448 -1.240662      22.54811 
1 1 1 15  14 22 o 232.0750 10.38426 1590.090       140.9786 1521.624       268.1529 1616.243       165.7313 224.7927 20.56761 233.6931 12.13383 -8.900421      23.88005 
1 1 1 15  14 23 o 343.5828 9.179157 3477.157       184.7973 3704.836       348.1622 3387.855       218.0473 352.8169 16.87495 338.8111 10.98796 14.00580       20.13702 
1 1 1 15  14 24 o 151.5242 15.03754 686.7749       131.8704 619.3431       267.3735 708.4506       151.5904 139.1869 33.21769 153.4795 17.13299 -14.29263      37.37585 
1 1 1 15  14 25 o 94.06599 23.73618 276.8786       130.9255 -13.89572      277.3759 360.2339       148.5105 76.74584 33.29022 107.2624 24.18703 -30.51653      41.14913 
1 1 1 15  14 26 o 193.0767 12.00623 1105.855       135.2797 989.2958       283.2789 1140.290       153.9710 178.0327 28.05883 195.7795 13.49228 -17.74680      31.13422 
1 1 1 15  14 27 o 87.95447 23.87851 242.4653       126.3112 289.6772       247.9809 225.9250       146.7788 99.52374 34.65289 85.79308 26.50529 13.73065       43.62744 
1 1 1 15  14 28 o 103.7238 20.82616 335.3162       122.2834 609.6386       232.3970 230.2850       143.8001 137.8749 29.62380 86.18099 26.16172 51.69387       39.52221 
1 1 1 15  14 29 o 51.82381 22.14217 3.201655       119.1980 -146.5590      245.6307 49.33204       136.3256 63.31524 29.06249 60.16081 24.52142 3.154434       38.02536 
1 1 1 15  14 30 o 104.9920 19.22837 341.9866       114.0375 110.8616       229.5271 417.7380       131.4032 79.16793 31.98266 116.0744 20.02608 -36.90649      37.73506 
1 1 1 15  14 31 f 228.3972 10.58906 1547.716       141.4540 1512.243       278.7491 1560.019       164.1616 221.6903 21.71793 228.8491 12.27621 -7.158813      24.94742 
1 1 1 15  14 32 o 113.7683 19.02011 402.4626       122.4302 -67.73128      260.6245 535.6008       138.6846 69.17559 31.02155 131.8123 18.44414 -62.63668      36.09049 
1 1 1 15  14 33 o 165.0682 12.48612 818.2367       119.9800 837.2898       235.8625 811.5854       139.3573 161.1428 25.82955 163.6665 14.67400 -2.523712      29.70676 
1 1 1 15  14 34 o 188.4369 11.25317 1063.276       123.7965 1263.675       239.5200 990.2287       144.6095 200.8224 20.62966 180.9081 13.73234 19.91437       24.78225 
1 1 1 15  14 35 o 46.65294 20.73264 -26.74491      113.6717 -67.87928      224.8059 -12.61523      131.7563 62.49809 28.34543 51.59689 22.65051 10.90120       36.28373 
1 1 1 15  14 36 o 129.5433 16.10976 520.6337       119.7557 306.8549       228.7809 601.3167       140.5491 94.73740 33.26340 138.6006 17.69359 -43.86325      37.67648 
1 1 1 15  14 37 o 90.92024 22.36563 274.5906       118.4245 221.2989       235.1780 292.6939       137.0710 85.18605 33.00605 93.00001 24.71240 -7.813957      41.23229 
1 1 1 15  14 38 o 111.7447 19.15845 402.7917       121.0393 140.4368       239.1398 493.1508       140.3438 77.27227 32.08611 123.3687 20.08764 -46.09639      37.85540 
1 1 1 15  14 39 o 101.7669 20.24747 340.4751       116.5918 442.2337       237.5029 308.1663       133.8271 107.5371 33.79338 94.82835 24.03584 12.70876       41.46944 
1 1 1 15  14 40 o 181.2391 12.28161 1002.537       129.7731 1110.083       222.2605 946.9085       159.8504 184.1918 20.94675 173.8811 15.84915 10.31065       26.26713 
1 1 1 15  14 41 o 97.93628 22.30166 327.3477       125.2167 115.6987       224.9234 422.4025       150.7349 72.27997 30.63192 110.4980 23.95221 -38.21806      38.88474 
1 1 1 15  14 42 o 130.4353 16.90007 544.4565       126.2447 553.7748       217.1064 539.6961       155.1766 120.6998 30.62560 126.6283 21.67392 -5.928551      37.51915 
1 1 1 15  14 43 o 114.3687 19.76660 435.0900       127.7894 622.7704       252.5551 370.5044       148.1545 123.9082 33.81691 101.8029 25.00003 22.10536       42.05455 
1 1 1 15  14 44 o 68.49799 24.92947 154.1142       129.6969 242.2251       299.7386 133.8170       143.8618 84.07341 35.48248 66.63569 25.81580 17.43772       43.88008 
1 1 1 15  15 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  15 1  o 557.1502 14.31597 9148.948       467.3945 8681.617       619.8917 9764.673       711.5356 541.5330 19.55031 573.8969 21.17667 -32.36389      28.82128 
1 1 1 15  15 2  o 613.1660 15.49606 11089.96       556.8034 10861.13       753.0883 11365.90       826.9641 605.2421 21.24910 618.6417 22.83193 -13.39960      31.19008 
1 1 1 15  15 3  o 482.1883 13.32029 6850.120       376.3262 7137.302       515.9364 6523.626       550.1179 491.2697 17.93723 469.1501 20.03987 22.11951       26.89500 
1 1 1 15  15 4  o 294.5785 20.29950 2580.434       348.5566 0.000000       0.000000 2580.434       348.5566 ?        ?        294.5785 20.29950 0.000000       20.29950 
1 1 1 15  15 5  o 268.9598 11.70074 2132.133       184.1242 2121.457       221.5420 2155.976       331.0879 267.9692 14.14692 268.9233 21.16292 -0.9541016     25.45593 
1 1 1 15  15 6  o 724.2057 13.03921 15444.10       553.8139 15553.99       649.1367 15150.19       1061.641 726.2222 15.24109 712.6840 25.44060 13.53815       29.65662 
1 1 1 15  15 7  f 37.96601 18.02735 -134.2640      108.5843 -134.2640      108.5843 0.000000       0.000000 37.96601 18.02735 ?        ?        0.000000       18.02735 
1 1 1 15  15 8  o 151.8783 32.02683 719.7735       276.2756 719.7735       276.2756 0.000000       0.000000 151.8783 32.02683 ?        ?        0.000000       32.02683 
1 1 1 15  15 9  o 789.7750 16.42060 18431.98       760.5764 18431.98       760.5764 0.000000       0.000000 789.7750 16.42060 ?        ?        0.000000       16.42060 
1 1 1 15  15 10 o 345.4141 11.43059 3516.341       231.2387 3516.341       231.2387 0.000000       0.000000 345.4141 11.43059 ?        ?        0.000000       11.43059 
1 1 1 15  15 11 o 284.6667 20.93444 2422.233       347.0565 2422.233       347.0565 0.000000       0.000000 284.6667 20.93444 ?        ?        0.000000       20.93444 
1 1 1 15  15 12 o 348.2487 17.36951 3601.459       353.6346 3601.459       353.6346 0.000000       0.000000 348.2487 17.36951 ?        ?        0.000000       17.36951 
1 1 1 15  15 13 o 202.9810 23.16974 1246.315       270.8867 1246.315       270.8867 0.000000       0.000000 202.9810 23.16974 ?        ?        0.000000       23.16974 
1 1 1 15  15 14 o 587.5118 11.78351 10174.76       406.0146 9402.729       534.8290 11224.88       623.7571 563.2489 16.20750 614.9963 17.31110 -51.74744      23.71407 
1 1 1 15  15 15 o 151.5967 18.01075 691.8196       157.0036 781.1098       219.8681 598.9180       224.2705 159.6709 24.24007 138.3033 28.59467 21.36755       37.48648 
1 1 1 15  15 16 o 474.0824 9.125168 6614.002       253.7145 6454.291       320.8004 6880.747       414.5852 467.7936 11.69311 481.9803 14.68388 -14.18668      18.77086 
1 1 1 15  15 17 o 159.9305 13.12379 760.6768       122.0133 684.4752       169.1357 843.3635       176.1859 150.3000 19.65856 167.4227 18.23795 -17.12274      26.81570 
1 1 1 15  15 18 o 77.91888 22.85165 185.6862       111.1863 149.7574       174.3530 210.3120       144.3456 77.98885 28.81816 83.68193 26.35166 -5.693085      39.04992 
1 1 1 15  15 19 o 323.1445 8.599655 3074.594       162.8329 3033.347       235.3696 3112.457       225.5078 320.2297 12.55686 324.5339 11.86815 -4.304230      17.27795 
1 1 1 15  15 20 o 364.3014 7.885360 3902.754       168.4740 4117.466       264.8172 3756.764       218.3628 373.2797 12.11258 356.8924 10.44379 16.38736       15.99335 
1 1 1 15  15 21 o 345.9750 9.906947 3528.380       200.8111 3605.758       350.3068 3490.507       245.0753 347.9376 17.22060 343.6548 12.17906 4.282745       21.09215 
1 1 1 15  15 22 o 385.5833 9.248219 4376.392       209.1350 4357.462       370.1678 4385.267       253.4635 382.8079 16.52691 385.4663 11.22383 -2.658447      19.97782 
1 1 1 15  15 23 o 115.6419 19.70705 409.6660       128.8679 246.2460       266.9159 459.3374       147.1550 97.19175 35.70099 122.2260 21.30263 -25.03426      41.57358 
1 1 1 15  15 24 o 165.1932 13.19018 811.9836       126.7282 589.7933       273.2755 872.8574       143.0386 135.4408 34.35625 171.0827 14.38919 -35.64197      37.24783 
1 1 1 15  15 25 f 606.4542 10.20713 10844.52       363.0381 10739.80       604.8633 10903.49       453.8821 600.2578 17.19954 607.1680 12.74629 -6.910217      21.40776 
1 1 1 15  15 26 o 323.3155 9.214180 3082.826       174.5382 3110.544       325.3030 3071.622       206.8296 322.4856 17.26286 322.3483 10.95641 0.1372681      20.44626 
1 1 1 15  15 27 o 371.3261 8.954903 4064.304       195.0145 3976.094       339.5012 4107.742       238.2396 364.9173 15.90157 372.6820 10.91171 -7.764709      19.28537 
1 1 1 15  15 28 f 197.7693 11.72721 1161.920       135.4098 1063.694       273.2129 1193.905       155.9051 184.6172 25.94876 200.1020 13.36147 -15.48477      29.18676 
1 1 1 15  15 29 o 110.5018 18.99151 377.2390       118.6429 -112.0608      244.3736 528.1398       135.7102 64.99424 29.50750 131.4696 18.07920 -66.47535      34.60564 
1 1 1 15  15 30 o 69.05779 23.36783 138.1984       112.5393 388.1882       259.5439 80.31430       124.8906 109.6399 35.42566 61.94696 24.03855 47.69289       42.81156 
1 1 1 15  15 31 o 292.4140 9.338236 2530.203       159.9397 2656.906       312.2363 2485.131       186.2271 296.0455 18.06957 289.2907 10.99636 6.754791       21.15253 
1 1 1 15  15 32 o 71.91551 22.96860 159.1622       109.3273 -77.80061      237.8435 222.6421       123.1032 65.05329 29.36364 83.39995 23.92465 -18.34666      37.87628 
1 1 1 15  15 33 o 178.3297 11.74516 953.1232       122.1542 756.7579       236.7117 1024.396       142.6102 151.5527 27.65062 184.3610 13.27853 -32.80835      30.67371 
1 1 1 15  15 34 o 115.5487 17.34196 416.7802       113.8966 380.4004       230.8891 428.4799       130.9364 104.4947 33.37943 116.1169 19.94556 -11.62216      38.88460 
1 1 1 15  15 35 o 72.46671 22.40131 168.7041       104.8263 141.5415       227.0036 176.0663       118.1817 78.14629 31.72042 74.16518 23.89982 3.981117       39.71632 
1 1 1 15  15 36 o 143.0309 14.50011 627.9404       119.9543 772.8217       234.1902 576.4103       139.6667 150.9953 27.45679 135.3545 18.04322 15.64082       32.85472 
1 1 1 15  15 37 o 114.1394 17.92688 414.0873       116.0518 143.6529       233.5508 502.7531       133.7299 77.56396 31.90956 125.5597 18.73276 -47.99571      37.00184 
1 1 1 15  15 38 o 87.57661 23.37706 260.3395       122.3103 116.7538       230.7251 316.4612       144.2463 74.39950 31.24954 95.68266 25.31663 -21.28316      40.21772 
1 1 1 15  15 39 o 119.9339 17.58193 459.3065       119.9975 231.8902       225.8083 548.8025       141.6546 83.83108 32.37946 130.3782 19.09138 -46.54708      37.58870 
1 1 1 15  15 40 o 64.95375 23.75957 128.5469       118.0272 290.7382       250.4964 82.26501       133.8115 89.35019 34.20853 60.38008 24.41014 28.97011       42.02473 
1 1 1 15  15 41 o 89.75867 22.42721 277.3456       117.7149 15.38096       245.0513 355.9282       134.2143 66.77606 30.00211 101.5654 23.06062 -34.78933      37.84070 
1 1 1 15  15 42 o 70.66743 24.05563 168.4125       119.2782 182.7856       250.3199 164.1904       135.6709 78.52782 32.73538 70.59024 25.52472 7.937576       41.51043 
1 1 1 15  15 43 o 46.56390 21.12798 -36.61976      125.0672 -294.1140      265.5795 36.75655       141.7714 54.14989 26.32951 55.80640 24.00133 -1.656502      35.62733 
1 1 1 15  15 44 o 87.55447 24.06503 273.9523       127.3782 263.5782       272.2438 276.8598       144.1271 84.60195 34.58844 86.86541 26.15343 -2.263458      43.36315 
1 1 1 15  16 0  o 560.4543 14.22834 9262.046       467.2977 8786.908       623.1100 9872.730       706.4202 544.5424 19.54282 576.8163 20.91678 -32.27399      28.62575 
1 1 1 15  16 1  o 655.6571 16.10809 12685.91       619.4001 12604.51       857.3704 12774.79       895.8225 651.2337 22.48189 655.2810 23.34740 -4.047302      32.41198 
1 1 1 15  16 2  o 288.1177 19.17526 2466.953       322.1685 0.000000       0.000000 2466.953       322.1685 ?        ?        288.1177 19.17526 0.000000       19.17526 
1 1 1 15  16 3  o 297.5323 11.15335 2607.692       194.2766 2725.331       240.7448 2388.046       328.9608 303.8576 13.54344 283.2738 19.92816 20.58380       24.09473 
1 1 1 15  16 4  o 292.8010 13.71795 2531.742       234.9109 2192.403       325.6550 2899.866       339.1863 271.1801 20.63104 312.5327 18.58912 -41.35260      27.77040 
1 1 1 15  16 5  o 379.3017 12.99403 4242.809       288.6272 4069.180       385.7736 4463.586       435.0081 370.5262 17.80475 387.7802 19.18722 -17.25397      26.17553 
1 1 1 15  16 6  o 501.6380 10.46295 7401.540       307.8188 7384.738       358.5545 7448.627       600.2535 500.7936 12.20804 500.6785 20.48535 0.1151123      23.84714 
1 1 1 15  16 7  o 339.3809 9.906857 3389.970       196.9739 3297.096       228.0255 3663.019       390.9814 334.4601 11.64264 351.0897 19.05984 -16.62967      22.33447 
1 1 1 15  16 8  f 361.1247 11.34190 3842.849       239.9135 3842.849       239.9135 0.000000       0.000000 361.1247 11.34190 ?        ?        0.000000       11.34190 
1 1 1 15  16 9  o 259.3831 11.53672 1985.141       175.0599 1985.141       175.0599 0.000000       0.000000 259.3831 11.53672 ?        ?        0.000000       11.53672 
1 1 1 15  16 10 o 517.9180 12.55872 7907.331       381.4670 7907.331       381.4670 0.000000       0.000000 517.9180 12.55872 ?        ?        0.000000       12.55872 
1 1 1 15  16 11 o 225.1554 12.37468 1498.974       162.7773 1498.974       162.7773 0.000000       0.000000 225.1554 12.37468 ?        ?        0.000000       12.37468 
1 1 1 15  16 12 f 256.3092 11.69883 1940.054       175.3923 1940.054       175.3923 0.000000       0.000000 256.3092 11.69883 ?        ?        0.000000       11.69883 
1 1 1 15  16 13 o 81.21061 32.83768 98.44307       242.2093 98.44307       242.2093 0.000000       0.000000 81.21061 32.83768 ?        ?        0.000000       32.83768 
1 1 1 15  16 14 o 226.1963 10.71055 1510.680       141.6813 1642.656       177.3166 1277.628       235.6285 235.5409 12.88516 206.2117 19.72344 29.32925       23.55932 
1 1 1 15  16 15 o 186.8903 11.84598 1034.447       129.1718 990.4041       161.7177 1112.068       214.6904 182.2498 15.27031 192.2909 19.29778 -10.04109      24.60867 
1 1 1 15  16 16 o 178.0949 11.83448 939.8993       122.9080 918.9796       160.0038 970.0113       191.9653 175.3913 15.72166 179.6187 18.48671 -4.227493      24.26786 
1 1 1 15  16 17 o 575.2406 9.872474 9746.515       333.0627 9983.926       448.7606 9455.363       496.9627 581.2026 13.16548 564.7480 15.01773 16.45459       19.97153 
1 1 1 15  16 18 o 138.4484 14.31469 573.2361       114.5562 629.4186       175.8265 531.7963       151.0054 143.4956 21.55859 132.0215 20.13940 11.47404       29.50200 
1 1 1 15  16 19 o 246.5712 9.363441 1792.513       135.1570 1872.917       207.6329 1733.393       178.0426 251.1892 14.15157 241.9330 12.59144 9.256180       18.94232 
1 1 1 15  16 20 o 123.6846 15.65100 460.5222       110.9917 594.0142       197.5771 398.9707       134.1617 138.3499 25.28179 113.8375 20.86384 24.51237       32.77909 
1 1 1 15  16 21 o 60.03891 23.38623 68.94179       118.5525 282.7310       218.2873 -20.49943      141.1901 97.81136 32.53867 54.34451 23.66029 43.46684       40.23151 
1 1 1 15  16 22 o 203.4759 11.56894 1225.400       137.4877 1153.000       284.2407 1247.513       157.0870 193.8718 25.62584 205.0387 13.13236 -11.16693      28.79483 
1 1 1 15  16 23 o 347.5392 9.125505 3558.450       185.8383 3525.612       344.3982 3571.939       220.7317 343.9139 17.12890 347.8661 10.83258 -3.952240      20.26682 
1 1 1 15  16 24 o 79.03484 22.80173 192.5088       111.5180 -118.7406      257.3080 264.4950       123.7439 67.26048 30.43332 91.94695 23.00598 -24.68646      38.15052 
1 1 1 15  16 25 o 252.0702 9.981276 1876.562       147.2647 1507.261       290.9844 2003.719       170.7457 222.4893 22.61417 260.2445 11.21342 -37.75525      25.24166 
1 1 1 15  16 26 o 157.1171 13.93239 738.2596       127.0511 554.3155       278.3686 786.6600       142.7912 130.1528 35.49566 161.9290 15.21402 -31.77628      38.61875 
1 1 1 15  16 27 o 87.65347 22.32807 241.7159       115.0831 219.9073       260.9911 246.9797       128.2215 92.84193 35.06503 88.54741 24.06631 4.294518       42.52933 
1 1 1 15  16 28 o 34.77333 16.88508 -181.1819      108.2367 -107.5679      250.5222 -198.0765      120.0160 66.21999 29.98931 36.71712 17.81758 29.50286       34.88302 
1 1 1 15  16 29 o 90.41435 21.06540 257.4775       109.6201 483.3348       260.9155 209.0649       120.7987 120.9079 34.87606 81.68971 23.78029 39.21822       42.21187 
1 1 1 15  16 30 o 225.0469 19.25392 1543.834       251.6833 1488.033       281.5530 1765.755       561.4857 219.5733 22.16723 224.3431 44.24795 -4.769821      49.49007 
1 1 1 15  16 31 o 163.0878 12.36740 796.3386       117.4088 730.1103       245.1683 816.0470       133.7421 149.5291 29.00360 164.6398 13.98322 -15.11072      32.19843 
1 1 1 15  16 32 o 162.0550 11.68331 786.7432       110.2944 716.7877       241.5887 805.1630       123.9676 147.0161 29.05006 163.5331 13.03341 -16.51694      31.83985 
1 1 1 15  16 33 o 67.70825 22.34558 140.5765       103.0031 -8.021597      231.1266 177.4038       115.0610 67.66105 29.83999 74.74251 23.52593 -7.081459      37.99861 
1 1 1 15  16 34 o 115.4300 16.83382 415.4571       110.6065 611.0178       237.3217 361.1915       125.0141 132.4274 31.09194 105.8522 20.87972 26.57519       37.45226 
1 1 1 15  16 35 o 134.8381 14.12706 556.7696       110.0594 996.4563       244.3997 444.9224       123.2655 174.3311 24.58614 118.6690 18.29896 55.66211       30.64849 
1 1 1 15  16 36 o 96.93010 18.82851 302.1152       103.1762 130.2607       232.4539 344.2787       115.1395 76.72565 31.72628 103.2215 19.73882 -26.49580      37.36546 
1 1 1 15  16 37 o 102.1705 19.89946 340.3637       114.9496 234.1266       232.6358 374.6803       132.2180 85.31261 32.88823 106.2516 21.94486 -20.93900      39.53748 
1 1 1 15  16 38 o 185.5116 11.93383 1045.178       129.1491 1213.073       240.2818 976.9684       153.1528 192.7237 21.63158 177.6790 14.83251 15.04465       26.22840 
1 1 1 15  16 39 o 72.07038 23.77980 172.8180       116.6518 147.2573       243.8876 180.4002       132.8313 76.89680 32.20229 73.71170 25.37713 3.185097       40.99983 
1 1 1 15  16 40 o 77.68002 31.09724 184.7753       214.8909 250.6161       241.1236 -69.38636      473.7478 84.97314 33.27854 80.35197 38.00641 4.621162       50.51681 
1 1 1 15  16 41 o 167.5500 12.39095 861.8085       120.8969 786.0318       248.2336 885.3715       138.4233 145.3103 30.11835 168.7281 14.11780 -23.41780      33.26300 
1 1 1 15  16 42 f 53.73700 22.17603 54.27198       113.2642 -390.2670      292.5306 132.6673       122.8461 54.30653 26.66467 65.20556 24.17240 -10.89903      35.99041 
1 1 1 15  16 43 o 62.92356 28.84686 -28.14808      240.9826 -307.2970      333.6153 276.4162       348.4716 60.73560 29.52673 87.53916 37.63883 -26.80357      47.83837 
1 1 1 15  17 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  17 1  o 378.8787 14.99355 4242.229       332.5040 4242.229       332.5040 0.000000       0.000000 378.8787 14.99355 ?        ?        0.000000       14.99355 
1 1 1 15  17 2  o 271.3063 10.54926 2168.448       167.5344 2263.513       210.6522 2004.818       276.3687 276.8708 13.00932 259.6320 18.26673 17.23877       22.42578 
1 1 1 15  17 3  o 556.4781 10.97919 9112.062       358.3182 9043.526       418.7739 9299.362       692.2993 554.0206 12.88852 559.1782 21.14835 -5.157593      24.76624 
1 1 1 15  17 4  o 152.8908 30.31667 726.9395       262.2346 0.000000       0.000000 726.9395       262.2346 ?        ?        152.8908 30.31667 0.000000       30.31667 
1 1 1 15  17 5  o 198.3322 11.50363 1161.937       133.2327 1161.937       133.2327 0.000000       0.000000 198.3322 11.50363 ?        ?        0.000000       11.50363 
1 1 1 15  17 6  o 413.4857 9.954968 5029.054       241.4076 5142.727       288.5166 4763.691       440.8214 417.7089 11.78911 400.4107 18.82452 17.29819       22.21139 
1 1 1 15  17 7  o 230.7763 10.05816 1569.799       135.8051 1574.925       153.7420 1551.594       289.7179 230.9870 11.38399 227.2317 22.01530 3.755356       24.78445 
1 1 1 15  17 8  o 270.1697 11.14764 2152.968       176.2529 2152.968       176.2529 0.000000       0.000000 270.1697 11.14764 ?        ?        0.000000       11.14764 
1 1 1 15  17 9  o 289.2275 10.78193 2466.369       182.5685 2466.369       182.5685 0.000000       0.000000 289.2275 10.78193 ?        ?        0.000000       10.78193 
1 1 1 15  17 10 o 205.5527 12.38267 1250.334       148.5831 1250.334       148.5831 0.000000       0.000000 205.5527 12.38267 ?        ?        0.000000       12.38267 
1 1 1 15  17 11 o 383.6749 11.38578 4341.644       255.9151 4341.644       255.9151 0.000000       0.000000 383.6749 11.38578 ?        ?        0.000000       11.38578 
1 1 1 15  17 12 o 230.5082 20.44991 1595.640       273.5915 1595.640       273.5915 0.000000       0.000000 230.5082 20.44991 ?        ?        0.000000       20.44991 
1 1 1 15  17 13 o 487.3021 18.14128 7068.447       517.5565 7068.447       517.5565 0.000000       0.000000 487.3021 18.14128 ?        ?        0.000000       18.14128 
1 1 1 15  17 14 o 230.4562 9.727832 1566.559       131.1829 1753.072       163.0309 1224.015       220.9400 243.5476 11.44596 201.9070 18.87715 41.64056       22.07616 
1 1 1 15  17 15 o 362.4187 10.41376 3873.434       221.1149 3928.278       337.4928 3832.187       292.6806 363.6328 15.86343 359.6911 13.90055 3.941772       21.09203 
1 1 1 15  17 16 o 115.4038 18.80131 406.5860       122.8735 372.3486       179.0739 437.0471       168.9099 108.7168 27.93659 118.2674 25.12822 -9.550613      37.57500 
1 1 1 15  17 17 o 189.9313 10.55895 1066.508       117.1534 1210.788       173.4210 945.3918       158.8909 201.6622 14.76547 177.9428 15.37609 23.71935       21.31767 
1 1 1 15  17 18 o 186.7256 10.47156 1030.748       114.2147 1045.384       173.5923 1019.576       151.6669 187.0600 15.97615 185.1049 14.07639 1.955124       21.29277 
1 1 1 15  17 19 o 41.33362 19.02097 -78.41104      106.1451 -53.02706      175.6626 -93.00968      133.2158 58.22893 25.83085 46.60173 21.39519 11.62720       33.54083 
1 1 1 15  17 20 o 116.1517 18.98144 411.9256       124.8401 801.6907       309.3124 336.0788       136.4472 158.4527 34.28260 103.8737 23.00500 54.57902       41.28591 
1 1 1 15  17 21 o 391.5039 8.743781 4510.410       200.7640 5166.214       325.5365 4107.885       255.0406 417.8339 13.30146 372.9363 11.67507 44.89755       17.69847 
1 1 1 15  17 22 o 283.9364 8.624310 2374.663       143.4473 2473.131       255.4824 2329.329       173.3516 288.4449 15.15563 280.9009 10.54133 7.543976       18.46112 
1 1 1 15  17 23 o 193.6199 10.21640 1108.250       115.6003 967.1743       217.1569 1164.038       136.5572 178.4019 21.16708 198.1841 11.80231 -19.78212      24.23509 
1 1 1 15  17 24 o 261.2900 9.263324 2014.038       141.7270 2017.115       305.6760 2013.196       159.9595 258.5841 20.31933 261.0193 10.47054 -2.435181      22.85842 
1 1 1 15  17 25 o 365.3805 8.848802 3933.720       189.6183 3827.907       339.6695 3981.624       228.5447 358.0605 16.21730 367.0581 10.62780 -8.997650      19.38945 
1 1 1 15  17 26 o 231.1424 9.928004 1579.910       134.2698 1530.677       290.9217 1593.236       151.3541 223.6917 22.48006 231.8614 11.16331 -8.169693      25.09926 
1 1 1 15  17 27 o 134.6865 15.08676 547.0778       117.1255 499.0637       254.0063 560.0436       131.9959 123.3037 34.01916 135.8149 16.93871 -12.51113      38.00294 
1 1 1 15  17 28 o 53.86660 21.97456 37.80074       109.5904 323.3806       257.6187 -25.29713      121.0935 102.7119 35.34196 49.27601 21.67037 53.43586       41.45671 
1 1 1 15  17 29 o 216.3930 9.939999 1387.528       125.8110 1753.864       269.3582 1285.307       142.2852 240.0792 19.29275 207.8265 11.72120 32.25269       22.57425 
1 1 1 15  17 30 o 49.77491 21.19353 7.515316       108.5377 101.5501       247.0756 -14.97021      120.8195 79.54146 32.78181 49.98674 21.82290 29.55472       39.38129 
1 1 1 15  17 31 o 35.80357 17.18738 -143.6451      104.5580 -352.8085      239.4895 -94.38802      116.2192 52.03887 25.23315 41.96120 19.51608 10.07767       31.89967 
1 1 1 15  17 32 o 119.8215 15.07804 439.9496       103.6164 281.3876       228.2845 481.0923       116.2848 93.71583 33.19909 124.9601 16.25189 -31.24423      36.96354 
1 1 1 15  17 33 o 91.90324 19.41209 270.4325       101.3443 234.8096       228.8168 279.1258       113.0359 87.84995 32.90671 92.77267 21.23504 -4.922729      39.16348 
1 1 1 15  17 34 o 89.88273 20.32023 262.0035       104.5923 299.0818       230.8997 252.4314       117.3187 94.10257 33.38359 87.47691 22.68077 6.625664       40.35941 
1 1 1 15  17 35 o 54.30723 21.35777 63.61605       99.67223 -16.21516      237.9433 80.60504       109.7668 66.77938 29.81594 58.22709 22.55229 8.552296       37.38444 
1 1 1 15  17 36 o 54.73232 21.44785 67.68630       100.2062 28.52444       238.5084 76.08070       110.4249 69.16305 30.41465 57.39504 22.50788 11.76801       37.83723 
1 1 1 15  17 37 o 130.7802 14.22126 528.8707       107.3219 626.0626       237.9909 504.0610       120.2420 130.6602 31.44042 126.4833 16.61067 4.176872       35.55860 
1 1 1 15  17 38 o 74.21704 22.25913 184.6177       104.5498 358.7924       225.5029 136.9273       117.9982 97.57063 33.07777 66.54250 23.83676 31.02814       40.77168 
1 1 1 15  17 39 o 102.3670 20.64986 349.1555       119.6913 333.4289       247.3516 353.9637       136.7700 93.53729 34.36617 101.4202 23.46084 -7.882912      41.61063 
1 1 1 15  17 40 o 62.27284 23.59303 112.0946       118.3681 587.2869       252.3053 -22.01063      134.0339 121.0644 34.09331 49.69007 22.26779 71.37437       40.72110 
1 1 1 15  17 41 o 78.88116 31.33032 204.8797       216.4277 296.3570       247.7598 -89.73674      444.6339 88.41706 33.97802 76.80267 36.47141 11.61440       49.84646 
1 1 1 15  17 42 o 110.4313 18.88268 402.8431       117.9029 430.3353       123.6562 127.8519       391.0846 114.0199 19.17165 81.37498 37.09371 32.64491       41.75518 
1 1 1 15  17 43 o 37.56167 18.10697 -149.7018      118.9028 -157.2766      127.8512 -101.2012      323.5129 38.98849 18.79005 66.91865 31.57839 -27.93016      36.74589 
1 1 1 15  18 0  o 505.9141 13.16265 7551.271       390.2127 7573.122       538.6990 7527.150       566.0010 505.2483 18.20965 503.3838 19.20724 1.864502       26.46714 
1 1 1 15  18 1  o 338.5901 10.68256 3377.210       211.8635 3390.566       276.0581 3358.071       330.4703 338.7201 13.92632 336.4995 16.79860 2.220642       21.82052 
1 1 1 15  18 2  o 199.7697 10.69565 1177.849       124.8536 1227.374       145.1799 1037.196       244.6642 203.7432 12.20586 185.1628 23.02632 18.58040       26.06136 
1 1 1 15  18 3  o 263.4745 20.20908 2074.155       309.8902 2074.155       309.8902 0.000000       0.000000 263.4745 20.20908 ?        ?        0.000000       20.20908 
1 1 1 15  18 4  o 111.0353 13.45202 368.9111       85.81483 374.5010       92.91591 336.4767       223.8158 111.7026 14.52708 105.2879 32.76353 6.414711       35.83971 
1 1 1 15  18 5  o 266.5039 9.188776 2091.117       143.4041 2145.234       166.4439 1935.223       282.4984 269.7645 10.54069 254.6492 19.05388 15.11530       21.77514 
1 1 1 15  18 6  o 315.9747 9.467747 2939.430       175.2505 2934.329       205.0320 2953.261       337.6410 315.4647 11.09935 314.9951 18.35637 0.4696045      21.45115 
1 1 1 15  18 7  o 416.8616 9.868247 5113.427       241.2584 5263.895       288.4246 4762.868       440.2416 422.5041 11.65107 400.0711 18.81577 22.43301       22.13098 
1 1 1 15  18 8  o 226.3111 25.94665 1557.510       338.1595 1557.510       338.1595 0.000000       0.000000 226.3111 25.94665 ?        ?        0.000000       25.94665 
1 1 1 15  18 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  18 10 o 325.7372 18.12076 3161.001       344.8094 3161.001       344.8094 0.000000       0.000000 325.7372 18.12076 ?        ?        0.000000       18.12076 
1 1 1 15  18 11 o 279.8002 17.80555 2334.754       290.6664 2334.754       290.6664 0.000000       0.000000 279.8002 17.80555 ?        ?        0.000000       17.80555 
1 1 1 15  18 12 o 422.5194 16.12733 5301.207       398.8979 5301.207       398.8979 0.000000       0.000000 422.5194 16.12733 ?        ?        0.000000       16.12733 
1 1 1 15  18 13 o 289.2934 13.63295 2479.747       230.6510 2479.747       230.6510 0.000000       0.000000 289.2934 13.63295 ?        ?        0.000000       13.63295 
1 1 1 15  18 14 o 238.4952 19.73731 1708.351       273.5995 1708.351       273.5995 0.000000       0.000000 238.4952 19.73731 ?        ?        0.000000       19.73731 
1 1 1 15  18 15 o 207.8087 9.924865 1274.971       120.6096 1365.486       152.6501 1124.584       196.7619 214.7174 12.17200 193.7064 17.50879 21.01097       21.32406 
1 1 1 15  18 16 o 56.03871 21.53927 64.12154       99.57555 54.21407       128.4400 79.04742       157.6481 59.82419 24.00993 67.46973 26.75826 -7.645542      35.95109 
1 1 1 15  18 17 o 198.9656 10.88036 1170.623       126.4782 1166.044       201.6069 1173.594       162.4146 197.2518 17.61254 198.6725 14.02938 -1.420700      22.51722 
1 1 1 15  18 18 o 443.7754 8.705456 5794.928       226.5715 5913.698       316.3885 5669.906       324.6106 447.4299 12.06818 437.9444 12.65169 9.485443       17.48446 
1 1 1 15  18 19 o 138.7253 13.71177 574.5289       110.1002 824.3800       192.1839 452.4655       134.3287 164.9683 20.29094 121.7391 19.47007 43.22923       28.12127 
1 1 1 15  18 20 o 319.6845 8.207353 3008.117       153.7503 3006.255       253.1818 3009.205       193.5198 318.5508 13.58317 319.3905 10.34489 -0.8396912     17.07394 
1 1 1 15  18 21 o 270.2849 8.620879 2152.009       136.4797 2160.218       224.2658 2147.180       171.9958 269.7493 14.22625 269.6149 10.89983 0.1343994      17.92184 
1 1 1 15  18 22 o 58.20998 21.35260 82.61353       95.42838 171.2181       196.5315 55.27822       109.1606 82.66221 30.58696 56.43768 22.30314 26.22453       37.85489 
1 1 1 15  18 23 o 47.90623 19.95064 16.97144       92.84320 150.9759       211.9815 -14.83520      103.2755 81.93797 31.44418 46.55640 20.25300 35.38157       37.40214 
1 1 1 15  18 24 o 289.9772 8.147200 2477.592       138.4178 2663.938       252.0456 2397.121       165.6299 299.1964 14.40623 284.8939 9.928172 14.30249       17.49594 
1 1 1 15  18 25 o 250.6656 9.104086 1855.088       133.6164 2314.551       316.5379 1755.469       147.3914 276.7734 19.62807 243.5918 10.34066 33.18161       22.18536 
1 1 1 15  18 26 o 323.0531 8.636579 3078.810       163.4845 3347.810       329.8482 2991.210       188.2311 334.0959 16.88898 318.0685 10.10349 16.02740       19.68040 
1 1 1 15  18 27 o 106.5392 16.34198 346.8993       98.85543 760.7097       233.5522 256.5812       109.1115 155.0902 26.63662 90.31847 20.99813 64.77177       33.91800 
1 1 1 15  18 28 o 109.7266 17.66292 370.5216       109.8070 465.2623       273.7620 352.3568       119.8724 118.4923 36.12290 106.2997 19.96093 12.19256       41.27109 
1 1 1 15  18 29 o 82.61092 21.00009 216.1003       101.9483 399.5828       253.6861 180.7611       111.3340 110.1396 34.96660 76.13909 23.00003 34.00047       41.85289 
1 1 1 15  18 30 o 87.59203 20.43972 243.8503       103.0737 270.9149       236.6608 237.5146       114.5044 94.27406 33.75922 86.10670 22.44791 8.167351       40.54126 
1 1 1 15  18 31 o 210.9594 9.627789 1323.069       118.8036 1703.886       258.6646 1221.258       133.7452 235.0958 18.92002 202.1300 11.32760 32.96584       22.05180 
1 1 1 15  18 32 o 92.32693 18.93139 271.4737       99.06471 171.1631       221.8820 296.4479       110.7120 81.20921 31.88775 96.09742 20.28226 -14.88821      37.79151 
1 1 1 15  18 33 o 195.5592 10.11313 1142.928       115.5943 988.0154       232.2773 1193.924       133.2693 174.9585 23.20905 199.3644 11.44619 -24.40591      25.87809 
1 1 1 15  18 34 o 125.2965 13.13355 478.8914       95.07732 283.9636       233.0610 517.8088       104.1368 92.14064 33.43511 130.0571 13.86633 -37.91647      36.19644 
1 1 1 15  18 35 o 50.98912 20.36456 50.54697       91.93757 151.5811       231.7789 31.68213       100.1536 78.36441 31.96149 49.92414 20.75035 28.44027       38.10661 
1 1 1 15  18 36 o 156.8043 11.12099 743.3912       101.6072 763.3659       241.8183 739.1086       111.9712 147.1265 29.05648 155.8056 12.35494 -8.679169      31.57410 
1 1 1 15  18 37 o 67.05946 21.31666 146.2558       94.25671 -219.6827      231.2501 219.1635       103.2201 54.01685 25.83160 80.87099 21.42438 -26.85415      33.56004 
1 1 1 15  18 38 o 50.64089 20.70916 45.02474       97.62425 -96.79643      227.0737 77.18182       108.1271 58.96483 27.37494 56.61683 22.25152 2.347996       35.27772 
1 1 1 15  18 39 o 140.0088 29.12675 715.2835       231.3664 871.9375       265.5065 220.9367       471.6505 153.4769 30.57160 90.99414 41.18465 62.48280       51.29131 
1 1 1 15  18 40 f 52.67705 21.36600 56.56863       102.9013 85.20376       105.3883 -528.7642      476.4796 56.98861 22.09099 67.49722 33.31265 -10.50861      39.97180 
1 1 1 15  18 41 o 82.89697 22.13268 238.2647       109.6209 234.9473       114.5089 274.6524       379.2421 81.96508 22.92746 88.72819 38.70132 -6.763107      44.98289 
1 1 1 15  18 42 o 69.66240 23.87834 164.8836       117.5668 164.7148       123.7486 166.4478       376.6827 69.79516 24.46718 82.32240 37.07418 -12.52724      44.42001 
1 1 1 15  18 43 o 85.89935 32.41662 288.3910       222.9522 415.8024       275.5825 47.01094       379.3134 97.42603 36.18820 76.26356 35.39740 21.16248       50.62175 
1 1 1 15  19 0  o 347.5280 10.61309 3558.927       216.0592 3445.861       280.7017 3723.293       338.4427 341.3300 14.05237 354.3046 16.33156 -12.97458      21.54505 
1 1 1 15  19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  19 2  o 165.6752 10.41428 811.1439       100.6780 876.6050       112.5830 549.8007       224.9505 172.1544 11.21175 132.3896 29.70448 39.76474       31.74996 
1 1 1 15  19 3  f 118.4341 12.44296 418.0773       85.13798 412.1004       92.36552 451.8468       219.5505 117.3768 13.67340 119.8547 31.00259 -2.477905      33.88396 
1 1 1 15  19 4  o 208.5715 9.733253 1282.812       118.7310 1283.074       133.2364 1281.800       261.6683 208.4403 10.93737 206.1608 21.98046 2.279526       24.55131 
1 1 1 15  19 5  o 221.8314 9.284268 1450.135       120.5203 1485.677       134.3343 1303.497       272.8601 224.4206 10.23336 207.6725 22.77650 16.74811       24.96979 
1 1 1 15  19 6  o 100.8837 14.05112 306.3299       80.88184 355.9768       85.65596 -102.1659      245.7002 108.9523 13.70783 66.91857 30.05596 42.03375       33.03431 
1 1 1 15  19 7  o 272.9735 9.454514 2195.268       151.1312 2295.192       173.4922 1880.854       307.7502 278.9557 10.62402 250.2369 21.16829 28.71881       23.68473 
1 1 1 15  19 8  o 308.5361 9.588801 2804.440       173.2979 2943.691       200.0684 2386.037       346.7978 315.9140 10.81434 281.9911 21.12311 33.92282       23.73048 
1 1 1 15  19 9  o 250.2104 10.39057 1847.214       152.1420 1847.214       152.1420 0.000000       0.000000 250.2104 10.39057 ?        ?        0.000000       10.39057 
1 1 1 15  19 10 o 348.6826 10.84414 3586.720       221.4867 3586.720       221.4867 0.000000       0.000000 348.6826 10.84414 ?        ?        0.000000       10.84414 
1 1 1 15  19 11 o 132.5602 33.41299 560.9486       259.6406 560.9486       259.6406 0.000000       0.000000 132.5602 33.41299 ?        ?        0.000000       33.41299 
1 1 1 15  19 12 o 246.4311 10.63377 1793.178       153.3239 1793.178       153.3239 0.000000       0.000000 246.4311 10.63377 ?        ?        0.000000       10.63377 
1 1 1 15  19 13 o 371.5880 15.53628 4101.194       337.8315 4101.194       337.8315 0.000000       0.000000 371.5880 15.53628 ?        ?        0.000000       15.53628 
1 1 1 15  19 14 o 338.4563 8.643459 3373.007       171.4294 3297.096       217.1369 3498.615       279.3139 334.1775 11.09451 343.5958 13.88961 -9.418304      17.77666 
1 1 1 15  19 15 o 271.0598 11.22513 2170.860       178.0599 1764.197       293.4682 2407.792       224.0034 241.9817 20.88306 285.0393 13.43766 -43.05762      24.83290 
1 1 1 15  19 16 o 194.6117 9.962149 1118.588       113.3248 1227.271       147.2862 960.8879       177.4180 203.4850 12.40069 179.0288 17.10531 24.45628       21.12744 
1 1 1 15  19 17 o 43.99227 19.64782 -41.02635      103.4076 129.9803       149.6592 -197.2531      143.0456 72.62263 26.72322 42.18752 20.21266 30.43510       33.50645 
1 1 1 15  19 18 o 91.64684 20.06286 260.2302       104.8376 563.0101       158.8985 26.82627       139.5116 135.8164 20.59394 58.71022 24.45352 77.10620       31.97006 
1 1 1 15  19 19 o 277.9021 8.564668 2274.519       139.4229 2289.562       214.5930 2263.530       183.4070 277.9968 13.19981 276.7818 11.32259 1.214966       17.39068 
1 1 1 15  19 20 o 156.6606 11.20517 727.6644       102.2707 585.1163       179.9223 795.7051       124.3049 137.7769 23.08254 163.5470 13.06835 -25.77007      26.52518 
1 1 1 15  19 21 o 226.2666 8.835432 1509.586       117.0209 1404.747       201.1548 1563.216       143.8714 216.8980 15.92436 229.9656 10.69677 -13.06760      19.18349 
1 1 1 15  19 22 o 116.5855 13.27070 407.4825       89.12466 379.3588       178.1127 416.8762       102.9386 109.3749 27.73237 117.5262 15.29724 -8.151352      31.67159 
1 1 1 15  19 23 o 95.94286 16.30798 281.4869       88.48123 603.3373       189.8934 192.2311       100.0003 139.2258 24.13023 78.57684 21.20999 60.64893       32.12680 
1 1 1 15  19 24 o 451.8067 8.268388 6013.014       219.0907 6201.802       342.6843 5882.498       284.9306 457.2350 12.79179 446.1368 10.88982 11.09818       16.79934 
1 1 1 15  19 25 o 218.1828 9.218048 1406.804       117.6875 1298.788       293.3975 1427.516       128.4762 204.6725 24.95806 219.6365 10.00020 -14.96391      26.88696 
1 1 1 15  19 26 o 72.34800 19.97361 163.0249       87.52903 64.24155       202.8842 185.6158       97.02276 71.67495 29.63897 77.01498 20.93581 -5.340027      36.28742 
1 1 1 15  19 27 o 167.3301 11.29962 833.2049       110.2387 314.6104       254.0279 953.5283       122.3609 101.3412 35.08477 178.9590 11.72293 -77.61779      36.99146 
1 1 1 15  19 28 o 178.6304 10.89316 949.1444       113.5769 919.3595       262.2246 956.0223       126.0100 169.7360 27.26506 178.9907 12.07460 -9.254715      29.81912 
1 1 1 15  19 29 o 172.6634 11.01664 888.6171       110.9759 548.9912       254.7578 968.1576       123.2882 127.2602 33.63213 180.0615 11.73881 -52.80129      35.62190 
1 1 1 15  19 30 o 171.4537 10.60720 877.1052       106.1369 559.9542       248.4525 947.9031       117.3872 127.5906 32.96819 178.0613 11.29917 -50.47068      34.85072 
1 1 1 15  19 31 o 93.57066 17.58511 275.6312       92.95982 99.20461       246.3174 304.9330       100.3830 77.35556 32.37613 98.36747 18.06591 -21.01191      37.07548 
1 1 1 15  19 32 o 105.5024 15.31002 344.5894       91.96626 129.3657       238.8593 382.0476       99.64846 78.45425 32.27240 111.0263 15.74469 -32.57208      35.90826 
1 1 1 15  19 33 o 116.9398 13.24807 417.8155       89.25980 399.3439       246.4272 420.6049       95.76263 105.2793 34.55408 116.9719 14.25326 -11.69261      37.37833 
1 1 1 15  19 34 o 276.7881 8.550037 2279.148       138.6261 2318.661       284.9867 2266.901       158.6620 272.6904 17.91915 275.4058 9.838923 -2.715424      20.44261 
1 1 1 15  19 35 o 62.37043 20.28166 122.5269       84.99179 -101.5325      236.2505 155.8361       91.09052 60.82145 28.12725 69.14400 20.78599 -8.322552      34.97427 
1 1 1 15  19 36 f 200.4935 9.636226 1205.536       112.9755 1450.636       249.8716 1142.556       126.6613 212.2312 20.32306 194.4415 11.15400 17.78975       23.18272 
1 1 1 15  19 37 o 187.0278 11.17913 1059.431       122.0614 1080.866       125.5726 692.1382       519.8047 188.8008 11.39374 117.6363 47.90719 71.16454       49.24343 
1 1 1 15  19 38 o 37.23092 17.36975 -71.54587      93.20026 -55.16142      94.81471 -540.4133      507.2065 38.99696 17.95709 70.25756 34.61686 -31.26060      38.99723 
1 1 1 15  19 39 o 182.5296 11.67223 1016.836       124.2957 1029.661       129.4874 866.4501       443.3998 183.4117 12.10557 128.9694 46.20604 54.44231       47.76551 
1 1 1 15  19 40 o 92.39134 19.34149 284.5271       101.4351 268.6382       104.3269 559.2834       433.8336 89.14940 20.39695 106.3872 43.59835 -17.23779      48.13368 
1 1 1 15  19 41 o 55.02668 21.81533 74.10854       104.7480 143.9471       108.4654 -892.6930      403.5637 66.01209 22.92189 54.13592 27.29345 11.87617       35.64190 
1 1 1 15  19 42 o 136.2615 16.23128 594.3509       127.1641 591.3132       135.6586 616.3530       365.0999 134.9849 17.55128 111.1797 41.58289 23.80523       45.13517 
1 1 1 15  20 0  o 404.2193 11.33239 4818.887       268.3863 4532.729       350.4270 5224.896       417.4103 391.0967 15.30744 419.4358 17.00389 -28.33911      22.87903 
1 1 1 15  20 1  o 445.6145 9.781940 5844.570       255.6435 5761.661       303.2672 6048.138       475.2011 441.9352 11.71114 450.9716 18.00327 -9.036499      21.47717 
1 1 1 15  20 2  o 285.9342 9.056742 2407.547       151.6843 2455.960       180.3322 2290.439       280.4709 288.5641 10.67405 277.3326 17.33056 11.23148       20.35396 
1 1 1 15  20 3  o 262.7007 10.31152 2035.268       158.5588 1959.733       187.5501 2224.526       296.8704 257.4328 12.45932 272.9481 18.65759 -15.51535      22.43525 
1 1 1 15  20 4  f 357.4991 9.409552 3763.592       197.1136 3768.803       231.7522 3749.963       374.8002 357.4585 11.06805 354.8539 18.06890 2.604675       21.18931 
1 1 1 15  20 5  o 408.4443 9.625549 4910.465       230.5732 4945.778       270.4938 4816.611       440.9809 409.4715 11.27448 401.9955 18.75629 7.475952       21.88407 
1 1 1 15  20 6  o 74.48560 15.95198 170.5886       67.58465 159.3960       70.34340 304.9459       243.7186 71.87901 16.96202 102.0421 34.38852 -30.16312      38.34423 
1 1 1 15  20 7  o 279.3987 9.336442 2300.224       152.7728 2380.688       175.3639 2046.885       311.1642 284.0617 10.54463 261.1027 20.48408 22.95908       23.03881 
1 1 1 15  20 8  o 109.7342 12.01975 359.5181       76.09071 368.7669       80.10670 274.1527       243.3701 111.0712 12.51511 98.44986 34.32605 12.62132       36.53636 
1 1 1 15  20 9  o 100.0383 13.41707 300.9818       76.73512 300.9818       76.73512 0.000000       0.000000 100.0383 13.41707 ?        ?        0.000000       13.41707 
1 1 1 15  20 10 o 265.1343 12.21914 2079.695       189.4906 2079.695       189.4906 0.000000       0.000000 265.1343 12.21914 ?        ?        0.000000       12.21914 
1 1 1 15  20 11 o 178.4706 27.87347 988.0326       282.2145 988.0326       282.2145 0.000000       0.000000 178.4706 27.87347 ?        ?        0.000000       27.87347 
1 1 1 15  20 12 o 494.5143 11.92865 7218.922       345.9557 7218.922       345.9557 0.000000       0.000000 494.5143 11.92865 ?        ?        0.000000       11.92865 
1 1 1 15  20 13 o 338.7939 16.68645 3417.907       330.5306 3417.907       330.5306 0.000000       0.000000 338.7939 16.68645 ?        ?        0.000000       16.68645 
1 1 1 15  20 14 o 363.7833 10.77577 3905.121       229.6481 3905.121       229.6481 0.000000       0.000000 363.7833 10.77577 ?        ?        0.000000       10.77577 
1 1 1 15  20 15 o 253.9995 8.836871 1900.979       131.4377 2035.622       170.5256 1703.907       206.3055 262.4933 11.10204 239.4029 14.76554 23.09038       18.47366 
1 1 1 15  20 16 o 453.3746 8.877982 6049.309       236.0598 6406.140       332.2209 5685.441       335.4808 465.6591 12.17534 438.4173 13.06213 27.24185       17.85660 
1 1 1 15  20 17 o 175.9827 10.61619 916.1082       109.0599 687.1924       145.5595 1209.080       164.6704 151.2410 16.68756 201.6790 14.00917 -50.43799      21.78834 
1 1 1 15  20 18 o 420.9060 8.532461 5212.820       210.6250 5561.886       308.5543 4908.243       288.2216 433.8484 12.13864 407.5551 12.07171 26.29330       17.11937 
1 1 1 15  20 19 o 38.21581 17.31964 -46.85737      83.74297 -19.08401      132.7615 -65.21001      107.9213 52.70033 22.94384 42.86517 19.51874 9.835159       30.12310 
1 1 1 15  20 20 o 360.4718 7.642303 3821.952       161.5646 4104.560       257.2290 3637.822       207.6303 372.5995 11.78620 351.1420 10.09272 21.45749       15.51701 
1 1 1 15  20 21 o 253.8984 7.833247 1898.593       116.5018 2119.425       199.0291 1783.490       143.6909 267.3434 12.73053 245.7357 9.991186 21.60764       16.18302 
1 1 1 15  20 22 o 156.6305 9.648659 726.1487       88.20247 601.8465       176.4297 767.5673       101.8427 139.6027 22.29892 160.8575 10.85902 -21.25482      24.80242 
1 1 1 15  20 23 o 312.8163 7.641227 2880.598       140.1855 2881.160       226.7494 2880.250       178.3554 311.6160 12.43221 312.2692 9.750777 -0.6531982     15.79992 
1 1 1 15  20 24 o 184.2797 8.508237 1003.020       91.70518 1105.235       192.8714 973.1613       104.2424 191.3663 17.37426 181.2887 9.841347 10.07764       19.96790 
1 1 1 15  20 25 o 105.6861 13.33977 336.9369       80.84468 542.7633       182.9929 287.0213       90.11601 131.1887 24.68993 96.68463 16.48320 34.50410       29.68651 
1 1 1 15  20 26 o 91.01003 16.83983 255.8148       86.57327 224.8091       188.0225 264.1568       97.52644 87.28426 30.18609 92.06988 18.70045 -4.785614      35.50925 
1 1 1 15  20 27 o 197.8558 9.461623 1159.687       109.4724 1341.148       256.2552 1119.177       121.0768 208.7588 21.22521 194.0915 10.67776 14.66730       23.75971 
1 1 1 15  20 28 o 151.2408 10.46859 681.2388       92.28248 822.0607       193.1622 639.5919       105.0458 162.8460 20.69185 146.0701 12.37860 16.77583       24.11187 
1 1 1 15  20 29 o 34.00269 15.94409 -77.52798      80.19297 -165.2206      222.0740 -64.37813      85.99565 57.49265 26.81923 36.77055 16.99245 20.72210       31.74924 
1 1 1 15  20 30 o 134.6427 11.19776 544.2916       87.62325 494.6846       237.6107 552.0995       94.26705 119.1032 32.91946 135.3809 11.99683 -16.27769      35.03733 
1 1 1 15  20 31 o 61.78639 19.50200 118.3110       79.01489 -19.84399      225.3445 137.6782       84.37164 65.72832 29.20154 66.02988 20.03836 -0.3015594     35.41562 
1 1 1 15  20 32 o 80.97754 17.47660 209.0922       80.56172 149.4826       233.1926 217.1709       85.84747 79.23568 32.15458 82.31499 18.26068 -3.079308      36.97796 
1 1 1 15  20 33 o 53.00131 25.23504 -211.0266      215.6857 -53.43475      237.3004 -959.7877      517.2532 64.37833 29.16804 66.13057 32.98559 -1.752243      44.03207 
1 1 1 15  20 34 o 71.89758 17.92014 167.2137       75.29120 170.1030       76.03242 21.19120       540.5217 72.50404 17.97163 91.34340 42.34775 -18.83936      46.00338 
1 1 1 15  20 35 o 48.86320 23.73359 -289.3495      214.2510 -175.6806      235.8685 -825.5834      512.3024 56.78503 26.84677 66.63196 33.16991 -9.846924      42.67309 
1 1 1 15  20 36 o 33.22845 15.66676 -77.73637      79.31721 -64.99281      80.16664 -669.5502      546.3121 34.53885 16.11236 71.43071 35.33046 -36.89186      38.83104 
1 1 1 15  20 37 o 125.5991 14.21851 491.0311       102.8950 482.2432       105.5036 662.1751       465.5909 124.1770 14.77638 115.7413 45.95844 8.435692       48.27546 
1 1 1 15  20 38 o 42.51490 18.92587 -17.93864      95.13386 4.497044       97.00005 -584.2437      487.3349 45.32349 19.67311 67.48598 33.37747 -22.16249      38.74386 
1 1 1 15  20 39 o 115.2099 16.65313 425.6334       109.2608 425.8273       112.0058 421.8219       496.5663 114.9583 17.13579 98.83568 43.65702 16.12262       46.89958 
1 1 1 15  20 40 o 104.1228 16.81819 350.7243       99.20213 318.4370       102.2765 863.6941       407.6672 98.22475 18.43114 129.5391 44.46262 -31.31432      48.13140 
1 1 1 15  20 41 o 68.89146 23.24454 161.2005       111.3531 161.2005       111.3531 0.000000       0.000000 68.89146 23.24454 ?        ?        0.000000       23.24454 
1 1 1 15  21 0  o 122.7190 11.49283 447.9256       81.75365 462.9303       91.73229 389.9954       180.2443 124.5795 12.73418 111.3751 27.70788 13.20441       30.49403 
1 1 1 15  21 1  o 243.5634 9.700678 1749.334       138.2914 1673.633       166.4036 1918.353       248.6437 237.8774 11.96619 253.7049 16.80555 -15.82747      20.63047 
1 1 1 15  21 2  o 143.6367 11.32300 612.0506       94.61355 695.3737       105.2910 262.6026       215.6253 153.0840 11.81911 95.30885 32.34487 57.77512       34.43663 
1 1 1 15  21 3  o 237.6435 9.024222 1664.301       125.5441 1682.351       144.1862 1607.725       255.2749 238.7489 10.32189 231.6030 18.95954 7.145920       21.58716 
1 1 1 15  21 4  o 398.0714 12.19339 4681.542       284.3305 4688.857       385.3480 4672.799       421.2550 397.1316 16.58153 395.9005 18.19160 1.231079       24.61466 
1 1 1 15  21 5  o 207.7369 9.751852 1273.610       118.4779 1289.457       131.5887 1205.766       272.2787 208.8808 10.77806 198.9635 23.80598 9.917297       26.13218 
1 1 1 15  21 6  o 201.6394 9.571133 1199.872       112.8620 1231.732       124.4624 1052.460       267.7184 204.1850 10.42808 185.2242 25.30613 18.96080       27.37052 
1 1 1 15  21 7  o 145.9609 10.01716 630.5145       85.22958 662.0423       91.86387 435.5849       228.4213 149.5100 10.54432 117.2039 32.23069 32.30609       33.91165 
1 1 1 15  21 8  o 266.7804 9.164540 2097.594       143.1759 2164.553       164.1695 1884.859       292.6210 270.8229 10.35518 250.4389 20.09134 20.38394       22.60291 
1 1 1 15  21 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  21 10 o 196.4403 25.17164 1182.552       283.3409 1182.552       283.3409 0.000000       0.000000 196.4403 25.17164 ?        ?        0.000000       25.17164 
1 1 1 15  21 11 o 344.6455 10.75355 3505.576       217.0917 3505.576       217.0917 0.000000       0.000000 344.6455 10.75355 ?        ?        0.000000       10.75355 
1 1 1 15  21 12 o 275.3663 18.89717 2271.091       303.3312 2271.091       303.3312 0.000000       0.000000 275.3663 18.89717 ?        ?        0.000000       18.89717 
1 1 1 15  21 13 o 190.5315 11.47579 1074.901       127.6386 1074.901       127.6386 0.000000       0.000000 190.5315 11.47579 ?        ?        0.000000       11.47579 
1 1 1 15  21 14 f 164.9328 19.16529 821.5642       181.9360 798.6620       324.6575 832.0492       219.6694 157.5300 35.93796 164.8630 23.37388 -7.332932      42.87045 
1 1 1 15  21 15 o 208.4603 9.106689 1281.574       111.0671 1405.377       137.1698 1045.878       189.2638 218.0777 10.75820 186.7621 17.48258 31.31551       20.52752 
1 1 1 15  21 16 o 364.3173 18.65116 3964.851       397.1808 3964.851       397.1808 0.000000       0.000000 364.3173 18.65116 ?        ?        0.000000       18.65116 
1 1 1 15  21 17 o 197.8490 8.461708 1153.854       97.95764 1292.020       130.8932 977.9572       147.6884 209.0657 10.71110 181.2517 14.00206 27.81400       17.62910 
1 1 1 15  21 18 o 33.55077 15.08695 -29.92696      62.11340 38.70332       80.10655 -133.3980      98.36023 48.22575 19.09077 35.21910 16.84352 13.00665       25.45902 
1 1 1 15  21 19 o 371.7429 11.38689 4084.092       247.9624 4084.092       247.9624 0.000000       0.000000 371.7429 11.38689 ?        ?        0.000000       11.38689 
1 1 1 15  21 20 o 174.1995 7.652781 894.4949       77.99300 949.6310       128.4917 862.3303       98.14014 178.7759 12.33060 170.7394 9.842532 8.036484       15.77717 
1 1 1 15  21 21 o 127.0026 9.428603 478.1390       69.72710 501.0020       121.3055 466.8576       85.21075 128.6538 16.45314 125.1115 11.75061 3.542343       20.21837 
1 1 1 15  21 22 o 168.8966 14.21902 853.5541       139.5382 866.7383       144.0114 651.1606       564.2445 170.1197 14.57445 141.8331 51.93857 28.28667       53.94469 
1 1 1 15  21 23 o 171.0170 8.184697 863.6698       81.85213 862.3259       163.4829 864.1194       94.55741 169.0361 16.70918 170.8593 9.473490 -1.823166      19.20790 
1 1 1 15  21 24 o 268.9123 7.273761 2130.520       114.6096 2394.078       205.2542 2011.117       138.1528 283.8409 12.35972 260.9263 9.041658 22.91458       15.31386 
1 1 1 15  21 25 o 41.58234 16.84582 22.95171       63.87971 212.7731       162.1796 -11.90576      69.49786 84.06668 28.04883 37.94948 16.55979 46.11720       32.57244 
1 1 1 15  21 26 o 197.2708 8.239410 1149.995       95.11569 908.7982       188.5096 1232.372       110.1676 172.3818 18.95887 204.0293 9.230753 -31.64749      21.08662 
1 1 1 15  21 27 o 63.08726 17.79321 123.7376       68.66811 231.8526       181.0608 105.5745       74.21233 87.07660 29.63803 59.34806 18.92041 27.72854       35.16241 
1 1 1 15  21 28 o 142.4288 9.490645 603.6458       78.82412 305.7936       240.3196 639.5522       83.44013 97.82729 34.11016 146.5603 9.763183 -48.73306      35.47989 
1 1 1 15  21 29 o 115.0656 10.23029 396.6653       68.31840 890.1661       182.9846 316.7316       73.64371 169.4042 18.73034 102.1360 12.55845 67.26823       22.55084 
1 1 1 15  21 30 o 114.7078 11.78903 397.8321       78.18109 405.6928       79.19844 97.74480       489.3386 115.8363 11.82356 95.76412 42.75750 20.07217       44.36214 
1 1 1 15  21 31 f 69.24911 16.82999 152.7604       67.67339 147.5364       68.26393 450.7825       515.6043 68.00964 17.12722 113.0400 47.04066 -45.03033      50.06162 
1 1 1 15  21 32 o 118.4408 12.61770 427.3184       86.29826 427.3184       86.29826 0.000000       0.000000 118.4408 12.61770 ?        ?        0.000000       12.61770 
1 1 1 15  21 33 o 29.94937 14.11608 -65.88786      64.29713 -63.23575      64.77068 -245.2757      532.6956 30.34210 14.25969 82.78094 39.48201 -52.43884      41.97818 
1 1 1 15  21 34 o 47.95892 18.70747 50.71482       75.94772 66.98419       76.86727 -617.1074      492.4775 50.93848 19.07426 69.38239 34.17115 -18.44392      39.13432 
1 1 1 15  21 35 o 68.71358 19.65767 155.0391       83.21783 142.1035       84.43932 592.4692       491.0276 66.03114 20.04798 113.4956 46.43259 -47.46442      50.57576 
1 1 1 15  21 36 o 179.4179 11.02740 975.2022       115.4745 980.1596       118.8411 891.4048       488.6031 179.7141 11.33317 131.2229 48.28555 48.49123       49.59773 
1 1 1 15  21 37 o 58.03342 21.17299 98.85751       93.63752 102.8543       95.47742 -1.857802      479.2821 58.87895 21.39519 82.77726 38.86681 -23.89831      44.36646 
1 1 1 15  21 38 o 191.8823 11.86699 1125.356       132.8910 1126.904       139.2467 1109.554       444.9454 191.6205 12.45814 148.7057 46.18276 42.91479       47.83360 
1 1 1 15  21 39 o 178.9324 12.11647 982.4630       126.3998 988.5366       131.5796 909.8447       454.9741 179.1642 12.60278 129.0712 46.73253 50.09291       48.40207 
1 1 1 15  21 40 o 116.6573 15.43292 433.3167       102.9994 437.3404       106.7204 378.6158       393.4899 116.8788 15.98763 94.07634 40.21349 22.80245       43.27504 
1 1 1 15  21 41 o 83.97481 22.16807 246.7215       110.7601 266.1443       117.8083 98.81484       325.0977 86.87613 22.82861 75.90865 34.29045 10.96748       41.19442 
1 1 1 15  22 0  o 269.9975 12.77485 2158.585       201.7125 2755.489       363.9413 1893.923       242.3398 302.9059 20.60950 252.0331 16.48570 50.87283       26.39185 
1 1 1 15  22 1  o 310.7352 12.50040 2856.479       227.3408 3327.354       388.6412 2611.541       280.3009 333.2079 19.97939 296.1989 16.19744 37.00903       25.72029 
1 1 1 15  22 2  o 215.9458 15.37530 1389.230       193.4500 1599.061       353.0668 1299.214       231.2515 228.3013 26.88406 207.8795 19.18432 20.42177       33.02713 
1 1 1 15  22 3  o 288.7299 9.386107 2457.184       158.7269 2590.168       191.9953 2170.035       282.1261 296.1541 11.07357 269.4448 17.95595 26.70932       21.09598 
1 1 1 15  22 4  o 187.5490 9.751826 1038.806       106.8949 1071.368       118.3661 894.8171       248.9064 190.3460 10.64552 170.3454 25.71477 20.00061       27.83121 
1 1 1 15  22 5  o 246.0025 9.304394 1784.365       133.9968 1767.556       153.0665 1839.499       277.2135 244.6242 10.69501 247.5984 19.24137 -2.974274      22.01394 
1 1 1 15  22 6  o 320.7680 9.138715 3031.643       171.7449 3041.710       199.3918 3002.704       338.0656 321.0359 10.60473 316.9832 18.26234 4.052673       21.11808 
1 1 1 15  22 7  o 320.5562 9.330404 3028.292       175.2237 3083.179       206.7820 2888.501       329.9998 323.1532 10.92645 310.8978 18.17792 12.25540       21.20906 
1 1 1 15  22 8  o 228.7816 9.511074 1544.110       127.3365 1630.799       143.5879 1224.860       275.5508 234.9837 10.44519 200.3524 23.92291 34.63130       26.10378 
1 1 1 15  22 9  o 265.6485 10.31435 2082.996       160.3886 2082.996       160.3886 0.000000       0.000000 265.6485 10.31435 ?        ?        0.000000       10.31435 
1 1 1 15  22 10 o 243.0679 21.59823 1783.883       304.6880 1783.883       304.6880 0.000000       0.000000 243.0679 21.59823 ?        ?        0.000000       21.59823 
1 1 1 15  22 11 o 330.3433 13.45588 3232.624       260.1467 3232.624       260.1467 0.000000       0.000000 330.3433 13.45588 ?        ?        0.000000       13.45588 
1 1 1 15  22 12 o 323.2813 18.90452 3126.020       356.8596 3126.020       356.8596 0.000000       0.000000 323.2813 18.90452 ?        ?        0.000000       18.90452 
1 1 1 15  22 13 o 419.2107 15.74342 5219.818       386.3755 5219.818       386.3755 0.000000       0.000000 419.2107 15.74342 ?        ?        0.000000       15.74342 
1 1 1 15  22 14 o 455.3300 11.16518 6114.806       298.1552 5278.728       400.0139 7159.941       447.2373 421.4135 16.21539 491.1445 15.54625 -69.73102      22.46385 
1 1 1 15  22 15 o 303.6201 8.214797 2713.838       146.1432 2731.607       189.3668 2687.668       229.8102 304.2131 10.63025 301.2580 13.03796 2.955109       16.82232 
1 1 1 15  22 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  22 17 o 112.1346 9.199922 372.7760       59.97112 408.7463       74.48337 306.4753       101.1222 117.2016 10.96339 99.97210 17.90470 17.22946       20.99462 
1 1 1 15  22 18 o 202.3231 6.756161 1204.682       80.05463 1277.646       119.2993 1144.912       107.9746 207.9618 9.809104 196.9029 9.377105 11.05890       13.57014 
1 1 1 15  22 19 o 58.92020 12.14736 106.3882       40.58016 63.35732       53.65211 163.9147       62.03410 47.74802 16.13475 72.99516 14.99270 -25.24714      22.02524 
1 1 1 15  22 20 o 219.5533 6.199350 1418.067       79.74467 1489.798       130.1239 1374.924       100.9159 224.4904 9.907858 215.9557 7.981638 8.534668       12.72290 
1 1 1 15  22 21 o 103.1323 7.604296 314.8018       45.67087 290.4164       74.20332 329.6729       57.94691 98.08253 13.23736 105.2905 9.485649 -7.207985      16.28512 
1 1 1 15  22 22 o 246.0883 6.454603 1782.390       93.07563 1903.732       155.8951 1715.179       116.0238 253.5753 10.50550 241.1242 8.216576 12.45111       13.33708 
1 1 1 15  22 23 o 30.07282 13.08793 -7.251462      43.16708 56.57075       80.87445 -32.67780      51.04666 51.08466 19.46698 29.32667 13.38092 21.75798       23.62228 
1 1 1 15  22 24 o 228.5503 6.721145 1538.641       89.99191 1413.100       152.0674 1606.304       111.6397 217.9531 11.94222 233.2777 8.172714 -15.32462      14.47101 
1 1 1 15  22 25 o 250.0744 17.51336 1892.244       255.2319 1846.521       292.9694 2036.222       519.8768 245.6178 20.52567 247.1683 37.00021 -1.550430      42.31216 
1 1 1 15  22 26 o 165.5076 9.971563 814.0067       96.34137 835.5926       98.09784 227.3675       511.3996 167.6845 10.02078 108.9326 46.17801 58.75191       47.25277 
1 1 1 15  22 27 o 71.96538 14.21928 160.4977       57.88483 159.8015       58.28841 210.2516       492.7543 71.77692 14.34866 105.1247 44.97007 -33.34773      47.20372 
1 1 1 15  22 28 o 33.12203 14.56952 -12.51643      54.76502 -19.29693      55.14328 476.6339       468.3633 32.30893 14.39416 117.8382 46.31149 -85.52928      48.49686 
1 1 1 15  22 29 o 66.93023 16.07907 141.6421       62.32396 139.6453       62.85516 258.2852       480.3969 66.42834 16.26609 103.2274 44.28549 -36.79910      47.17828 
1 1 1 15  22 30 o 149.4723 9.997313 668.7280       87.13456 685.4962       88.48425 131.6185       500.7879 151.3337 10.02618 96.76355 43.22575 54.57016       44.37330 
1 1 1 15  22 31 o 64.51270 17.36691 132.9387       67.15391 137.3237       67.76469 -107.0317      501.2995 65.53547 17.35793 86.40012 40.30087 -20.86465      43.88004 
1 1 1 15  22 32 o 36.37305 16.02676 -13.13282      66.53017 -11.91915      67.06393 -88.46893      528.3718 36.68023 16.12911 87.58669 41.02380 -50.90646      44.08062 
1 1 1 15  22 33 o 48.28270 18.60563 54.02599       74.43201 65.03474       75.35452 -387.3511      477.1393 50.38650 18.88191 73.87251 35.77167 -23.48600      40.44921 
1 1 1 15  22 34 o 54.68431 20.13376 82.42883       84.97220 77.35902       86.28402 245.3683       489.1562 53.98168 20.20989 95.74771 42.74989 -41.76603      47.28629 
1 1 1 15  22 35 o 78.05893 20.10909 202.9379       92.62418 194.6147       94.41512 416.1076       477.8155 76.30831 20.61412 102.3057 44.03200 -25.99741      48.61851 
1 1 1 15  22 36 o 105.3635 16.09574 353.3871       96.31020 378.7013       98.54121 -186.7517      455.1856 109.2655 15.83870 75.61263 36.18125 33.65289       39.49617 
1 1 1 15  22 37 o 119.7192 14.83815 450.9931       101.9538 407.0197       104.5856 1291.883       457.3484 112.9032 16.26331 163.3726 45.86434 -50.46938      48.66244 
1 1 1 15  22 38 o 68.50066 22.09329 157.9592       100.9766 183.2475       103.5333 -335.1866      457.2010 73.12694 22.19860 70.32929 34.27487 2.797646       40.83558 
1 1 1 15  22 39 o 114.0503 17.68920 424.0713       114.4892 453.8156       121.5521 190.2080       340.8328 117.7206 18.19183 82.14108 36.23074 35.57948       40.54145 
1 1 1 15  22 40 o 52.13468 22.05279 38.66035       116.2114 38.66035       116.2114 0.000000       0.000000 52.13468 22.05279 ?        ?        0.000000       22.05279 
1 1 1 15  23 0  o 195.6393 8.997204 1129.156       102.9556 0.000000       0.000000 1129.156       102.9556 ?        ?        195.6393 8.997204 0.000000       8.997204 
1 1 1 15  23 1  f 297.1262 21.87807 2662.501       378.5683 2662.501       378.5683 0.000000       0.000000 297.1262 21.87807 ?        ?        0.000000       21.87807 
1 1 1 15  23 2  o 59.61117 19.90761 100.6072       81.69360 0.000000       0.000000 100.6072       81.69360 ?        ?        59.61117 19.90761 0.000000       19.90761 
1 1 1 15  23 3  f 553.4133 9.793595 9022.784       317.8647 9944.548       630.8364 8709.116       367.9949 577.1953 18.66012 543.2159 11.55098 33.97943       21.94596 
1 1 1 15  23 4  o 289.2402 7.810447 2462.270       132.3694 1895.893       345.9474 2559.412       143.2720 249.7855 23.90664 294.8261 8.294242 -45.04063      25.30458 
1 1 1 15  23 5  o 263.8912 7.615813 2049.510       117.7436 2220.077       344.5892 2026.963       125.2842 271.2104 21.84907 262.3650 8.152060 8.845490       23.32033 
1 1 1 15  23 6  o 109.5838 10.36881 357.0837       65.84602 598.7506       316.6039 346.1581       67.31800 136.0209 38.15095 107.8161 10.79112 28.20477       39.64774 
1 1 1 15  23 7  o 171.4308 8.163193 866.4904       81.83704 811.0739       311.4720 870.5996       84.81701 159.1106 34.38368 171.8052 8.443615 -12.69464      35.40526 
1 1 1 15  23 8  o 52.30360 17.22639 77.90164       61.22555 -51.86153      288.8953 84.00394       62.64862 75.94616 33.43277 53.88233 17.40433 22.06383       37.69165 
1 1 1 15  23 9  o 329.1878 19.09220 3243.030       367.0141 0.000000       0.000000 3243.030       367.0141 ?        ?        329.1878 19.09220 0.000000       19.09220 
1 1 1 15  23 10 o 353.1848 18.84352 3729.098       388.9016 3729.098       388.9016 0.000000       0.000000 353.1848 18.84352 ?        ?        0.000000       18.84352 
1 1 1 15  23 11 o 147.5898 38.86283 708.3284       340.9606 708.3284       340.9606 0.000000       0.000000 147.5898 38.86283 ?        ?        0.000000       38.86283 
1 1 1 15  23 12 o 604.1504 18.72991 10888.79       662.8364 10888.79       662.8364 0.000000       0.000000 604.1504 18.72991 ?        ?        0.000000       18.72991 
1 1 1 15  23 13 o 318.3824 21.25468 3048.975       394.6024 3048.975       394.6024 0.000000       0.000000 318.3824 21.25468 ?        ?        0.000000       21.25468 
1 1 1 15  23 14 o 193.5184 33.45470 1185.290       365.9591 1185.290       365.9591 0.000000       0.000000 193.5184 33.45470 ?        ?        0.000000       33.45470 
1 1 1 15  23 15 o 239.8418 11.23418 1701.233       157.5826 1605.474       353.9947 1724.898       175.9807 228.4334 26.94089 241.2703 12.47927 -12.83685      29.69080 
1 1 1 15  23 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  23 17 o 19.20143 9.674138 -159.2911      50.22848 -337.8885      297.7905 -154.0612      50.95859 62.66782 29.78452 19.70093 9.901814 42.96689       31.38731 
1 1 1 15  23 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  23 19 o 304.0112 19.07348 2784.565       338.3576 2784.565       338.3576 0.000000       0.000000 304.0112 19.07348 ?        ?        0.000000       19.07348 
1 1 1 15  23 20 o 174.8907 26.59237 958.6942       264.1759 982.3127       302.1781 882.1090       544.1367 175.3969 30.48158 158.1138 51.31065 17.28308       59.68173 
1 1 1 15  23 21 f 294.8864 15.09793 2599.035       260.2402 2219.000       293.3737 4002.168       563.7136 271.0896 18.56467 359.1220 26.96177 -88.03244      32.73506 
1 1 1 15  23 22 o 261.2090 17.02608 2053.491       259.4061 2212.615       309.0085 1673.714       477.3824 270.0531 19.64495 224.9507 37.50473 45.10234       42.33827 
1 1 1 15  23 23 o 143.0649 29.92483 664.0646       242.9982 704.0987       277.1025 530.7924       505.5861 146.0354 33.11911 129.4408 48.82286 16.59451       58.99617 
1 1 1 15  23 24 o 327.9752 14.91517 3223.653       286.1419 2995.220       327.5318 3960.011       588.0566 314.6711 17.82071 353.8039 28.58355 -39.13284      33.68378 
1 1 1 15  23 25 o 68.97811 29.85647 8.630240       222.1360 233.0470       246.4313 -964.1146      513.0594 91.34357 34.16322 69.12398 34.19837 22.21959       48.33895 
1 1 1 15  23 26 o 127.8611 30.19411 547.5087       222.7747 784.5182       251.5911 -312.9774      479.3849 154.4636 28.83290 81.90494 38.58589 72.55867       48.16852 
1 1 1 15  23 27 o 88.70471 32.13012 241.1674       215.0947 306.0945       238.9755 -35.85382      493.6248 96.93678 33.99947 92.08137 41.85715 4.855415       53.92574 
1 1 1 15  23 28 o 232.1036 7.853799 1596.106       106.7545 1617.612       109.2695 1144.966       500.4590 233.6231 7.986779 166.2246 48.40679 67.39850       49.06125 
1 1 1 15  23 29 o 39.39815 15.45936 29.70071       52.11927 23.94085       52.40381 555.7897       500.8256 38.33985 15.35379 119.3844 47.58043 -81.04451      49.99637 
1 1 1 15  23 30 o 79.93461 14.42314 199.5087       65.12803 195.7751       65.63174 439.9459       526.6830 79.08270 14.69152 111.4353 47.03267 -32.35258      49.27386 
1 1 1 15  23 31 o 56.15014 18.06303 97.12318       67.52570 93.59638       68.23225 264.7780       470.4438 55.42656 18.18183 99.25435 43.20122 -43.82779      46.87136 
1 1 1 15  23 32 o 82.28934 16.37524 215.9455       76.24753 214.1156       77.35545 278.4597       452.1310 81.81879 16.68697 97.54417 42.40562 -15.72538      45.57074 
1 1 1 15  23 33 o 63.46478 18.49535 130.3804       73.03637 140.4400       73.94277 -272.4133      467.8933 65.70788 18.43991 75.77998 36.37281 -10.07211      40.78004 
1 1 1 15  23 34 o 34.02550 15.66763 -46.33035      72.17526 -44.84750      73.11681 -102.7974      451.1965 34.44070 15.82620 79.18861 37.34546 -44.74791      40.56047 
1 1 1 15  23 35 o 77.80448 19.57222 201.7082       89.21587 213.6781       90.99738 -95.04843      453.0898 80.10950 19.54458 78.58448 37.16983 1.525017       41.99508 
1 1 1 15  23 36 o 48.78342 19.97403 41.79687       90.95525 48.63825       92.56946 -149.2527      489.1801 50.01358 20.27256 78.06195 37.39469 -28.04837      42.53633 
1 1 1 15  23 37 o 115.8996 16.71497 431.2656       110.3360 493.4613       113.6165 -599.3530      462.4984 124.5717 15.91442 64.75643 32.11379 59.81527       35.84082 
1 1 1 15  23 38 o 139.8151 14.53476 614.3276       117.4451 633.5953       121.9969 370.4805       434.0039 141.7770 14.89426 94.25681 41.25076 47.52015       43.85732 
1 1 1 15  23 39 o 228.2514 12.19712 1601.219       162.6827 1601.219       162.6827 0.000000       0.000000 228.2514 12.19712 ?        ?        0.000000       12.19712 
1 1 1 15  23 40 o 40.53514 18.78278 -61.95589      106.1267 -77.14410      113.7774 39.72078       294.3835 40.99415 19.14729 70.53581 32.16430 -29.54166      37.43208 
1 1 1 15  24 0  o 491.0393 9.403342 7101.469       270.8002 6621.040       508.6153 7291.542       319.9147 470.8823 18.45305 497.1763 10.97168 -26.29395      21.46841 
1 1 1 15  24 1  o 113.2690 13.82227 385.2152       89.92113 0.000000       0.000000 385.2152       89.92113 ?        ?        113.2690 13.82227 0.000000       13.82227 
1 1 1 15  24 2  o 158.1826 10.20185 740.4911       94.13831 1124.948       370.2379 713.9179       97.33733 187.8006 34.89934 155.2261 10.75870 32.57448       36.52004 
1 1 1 15  24 3  o 120.9620 11.97908 436.1953       83.86630 572.9902       327.9411 426.6228       86.75106 133.2609 39.28942 119.5158 12.56421 13.74509       41.24946 
1 1 1 15  24 4  o 154.4190 9.711689 705.1732       87.50662 485.3322       320.4893 722.8829       90.96299 124.0444 39.29212 156.3178 9.974177 -32.27346      40.53831 
1 1 1 15  24 5  o 126.9191 11.09892 478.7335       81.78444 459.7117       285.0098 480.4404       85.37491 120.5542 36.87821 127.0718 11.58314 -6.517540      38.65451 
1 1 1 15  24 6  o 478.5171 9.173852 6741.690       257.4540 6682.824       492.4992 6763.825       302.0038 473.4891 17.76708 478.9417 10.75175 -5.452515      20.76702 
1 1 1 15  24 7  o 136.3243 10.37650 550.8795       82.33791 662.1798       328.4344 543.4152       85.05408 142.8065 38.39108 135.3305 10.80610 7.475983       39.88292 
1 1 1 15  24 8  o 293.4991 8.327520 2536.340       143.1969 2053.772       345.1064 2636.705       157.3851 260.5238 22.81691 299.1558 8.980648 -38.63193      24.52067 
1 1 1 15  24 9  o 198.2613 8.588271 1158.815       99.62376 883.6069       341.6913 1184.383       104.1488 165.6845 36.18044 200.4037 8.883388 -34.71924      37.25505 
1 1 1 15  24 10 o 367.2903 9.145482 3971.561       197.0002 4729.589       449.5248 3791.371       219.1673 397.6484 19.33336 358.4984 10.43519 39.15002       21.96980 
1 1 1 15  24 11 o 228.3714 9.050497 1537.754       120.9772 882.8611       338.8301 1633.438       129.5138 165.6210 35.91934 235.3296 9.402953 -69.70860      37.12970 
1 1 1 15  24 12 o 195.4859 31.62594 1200.633       350.2090 1200.633       350.2090 0.000000       0.000000 195.4859 31.62594 ?        ?        0.000000       31.62594 
1 1 1 15  24 13 o 219.7180 8.490473 1422.909       109.2018 1717.092       361.4311 1393.356       114.5556 236.4865 26.51576 217.3510 9.006295 19.13547       28.00356 
1 1 1 15  24 14 o 166.7706 33.71467 891.0886       318.4018 891.0886       318.4018 0.000000       0.000000 166.7706 33.71467 ?        ?        0.000000       33.71467 
1 1 1 15  24 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  24 16 o 234.2187 25.74971 1688.578       347.8803 1688.578       347.8803 0.000000       0.000000 234.2187 25.74971 ?        ?        0.000000       25.74971 
1 1 1 15  24 17 o 118.0997 38.08839 444.7283       300.1158 444.7283       300.1158 0.000000       0.000000 118.0997 38.08839 ?        ?        0.000000       38.08839 
1 1 1 15  24 18 o 143.0858 36.76249 678.7600       310.1290 678.7600       310.1290 0.000000       0.000000 143.0858 36.76249 ?        ?        0.000000       36.76249 
1 1 1 15  24 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  24 20 o 187.1679 22.94813 1081.636       246.6360 1155.047       286.7144 872.7286       483.6653 192.1326 26.12055 157.0213 48.04245 35.11130       54.68418 
1 1 1 15  24 21 o 95.64083 33.73835 270.0302       235.5603 110.4592       270.8003 766.2355       477.5325 83.66460 34.38343 147.5445 48.08145 -63.87990      59.11045 
1 1 1 15  24 22 o 72.20837 31.93174 -39.79478      266.3811 -39.79478      266.3811 0.000000       0.000000 72.20837 31.93174 ?        ?        0.000000       31.93174 
1 1 1 15  24 23 o 313.2339 15.54815 2947.719       284.7335 2695.270       337.3495 3573.010       530.9274 297.4825 19.44261 337.0201 27.08940 -39.53766      33.34443 
1 1 1 15  24 24 o 79.90311 32.46331 119.9626       238.0157 222.9468       274.5910 -191.2157      477.3157 92.31364 35.69262 87.03268 40.15321 5.280952       53.72377 
1 1 1 15  24 25 o 109.7845 33.33901 408.9518       233.4954 465.9748       263.4111 199.8138       504.4585 116.2316 35.43336 105.0411 45.22650 11.19044       57.45398 
1 1 1 15  24 26 o 101.7294 33.25814 350.1745       228.3879 370.8716       255.9478 269.2960       505.9563 104.3847 35.24076 106.8451 45.63369 -2.460449      57.65714 
1 1 1 15  24 27 f 61.08028 27.80301 -79.66467      218.7230 -171.7955      241.1199 348.2884       519.6713 59.26670 27.74433 109.5388 46.49724 -50.27211      54.14555 
1 1 1 15  24 28 o 169.4374 21.90602 919.0341       212.5930 1003.756       237.7090 580.4705       475.1902 176.0174 23.62297 120.9004 46.89680 55.11705       52.51052 
1 1 1 15  24 29 o 63.08325 28.06750 -17.81600      208.9563 -111.0376      232.7983 368.6432       473.9946 60.61359 27.99211 106.2622 44.72083 -45.64861      52.75899 
1 1 1 15  24 30 o 85.41418 31.43010 236.6217       207.0222 222.7329       231.2329 292.7220       464.7284 85.09795 32.79327 100.5594 43.35390 -15.46149      54.35953 
1 1 1 15  24 31 o 45.18493 22.26787 -379.8532      210.2460 -328.5443      241.8184 -538.7599      425.5629 51.60557 25.09959 65.92971 32.32871 -14.32414      40.92841 
1 1 1 15  24 32 o 60.18575 16.97324 116.4046       62.48812 115.3988       63.03309 173.8205       476.2313 59.94378 17.09528 92.26012 41.60577 -32.31633      44.98098 
1 1 1 15  24 33 o 64.17248 18.19084 134.0721       71.58679 137.4000       72.56155 12.69387       438.2138 64.91429 18.28447 82.73137 38.27646 -17.81708      42.41945 
1 1 1 15  24 34 o 130.2823 12.28701 520.6577       92.77320 546.1583       94.98309 -8.313488      432.6005 133.4655 12.27192 80.55956 37.53021 52.90594       39.48565 
1 1 1 15  24 35 o 47.08502 19.31616 36.80731       85.27167 45.16187       86.85024 -186.7719      449.2882 48.57373 19.65540 74.73482 35.81063 -26.16109      40.85016 
1 1 1 15  24 36 o 44.16363 18.87641 13.71665       86.68867 47.82929       88.39369 -845.0333      443.5034 49.09448 19.84253 58.72979 29.47584 -9.635315      35.53240 
1 1 1 15  24 37 o 81.52803 21.68373 229.6075       105.4715 206.2983       108.4028 643.2022       456.6293 77.02995 22.55636 109.7304 44.82076 -32.70041      50.17659 
1 1 1 15  24 38 o 80.71009 22.84394 229.1174       112.9807 230.4617       118.7659 216.3181       366.4651 80.61499 23.61095 84.20862 37.33488 -3.593628      44.17432 
1 1 1 15  24 39 o 72.31881 22.99137 182.3548       109.6459 136.3989       115.7706 582.5340       341.6290 64.88477 23.56207 109.1141 40.33578 -44.22936      46.71345 
1 1 1 15  25 0  f 205.5136 9.582099 1246.744       115.1740 0.000000       0.000000 1246.744       115.1740 ?        ?        205.5136 9.582099 0.000000       9.582099 
1 1 1 15  25 1  f 288.5596 8.305061 2451.914       140.4032 3422.044       463.7763 2354.029       147.3162 336.2874 23.66626 282.6486 8.898046 53.63882       25.28373 
1 1 1 15  25 2  o 182.5772 10.29949 985.5986       109.8368 0.000000       0.000000 985.5986       109.8368 ?        ?        182.5772 10.29949 0.000000       10.29949 
1 1 1 15  25 3  o 212.3605 9.577567 1330.943       118.9763 0.000000       0.000000 1330.943       118.9763 ?        ?        212.3605 9.577567 0.000000       9.577567 
1 1 1 15  25 4  o 293.3459 8.447887 2534.121       145.1865 2203.566       382.4071 2589.794       156.9373 269.2543 24.48406 296.4631 9.036751 -27.20880      26.09851 
1 1 1 15  25 5  o 117.3000 13.01125 411.6087       88.00543 578.2500       324.7935 398.4048       91.42556 133.8766 38.99933 115.2359 13.80210 18.64073       41.36963 
1 1 1 15  25 6  o 331.6141 14.72583 3264.358       285.6794 3349.038       423.4796 3193.638       387.0032 333.5237 21.76883 326.2066 20.32991 7.317078       29.78568 
1 1 1 15  25 7  o 285.9335 15.95299 2434.045       266.4601 2591.884       382.6243 2285.416       371.2942 292.9791 22.43898 274.7133 23.26414 18.26584       32.32225 
1 1 1 15  25 8  o 134.9753 11.80901 541.8701       92.53936 475.0929       361.2039 546.5611       95.73454 124.2656 41.86441 135.5028 12.17647 -11.23719      43.59925 
1 1 1 15  25 9  o 388.0674 8.799075 4432.853       200.2602 4051.529       419.6756 4545.279       227.8775 367.7885 19.52649 392.6363 9.903923 -24.84778      21.89455 
1 1 1 15  25 10 o 197.9957 9.703147 1157.724       112.3296 0.000000       0.000000 1157.724       112.3296 ?        ?        197.9957 9.703147 0.000000       9.703147 
1 1 1 15  25 11 o 183.4280 9.502830 993.8463       101.8793 697.8213       337.4877 1023.528       106.8648 146.0540 38.76135 186.1078 9.825642 -40.05386      39.98732 
1 1 1 15  25 12 o 425.9975 9.930700 5349.816       248.1061 5159.755       451.5013 5432.035       296.9606 415.2291 18.58759 428.6260 11.82456 -13.39691      22.02995 
1 1 1 15  25 13 o 97.89965 14.24813 289.9795       79.40801 -542.8058      313.1327 347.2159       82.09148 57.76399 28.19810 107.4880 13.30618 -49.72404      31.17992 
1 1 1 15  25 14 o 374.2504 10.25723 4135.528       224.9226 3463.874       385.5327 4482.094       276.9370 339.4359 19.44798 389.0953 12.15086 -49.65936      22.93180 
1 1 1 15  25 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  25 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  25 17 o 141.8980 36.41080 668.4244       304.4902 668.4244       304.4902 0.000000       0.000000 141.8980 36.41080 ?        ?        0.000000       36.41080 
1 1 1 15  25 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  25 19 o 140.0638 34.01484 648.6277       276.5906 648.6277       276.5906 0.000000       0.000000 140.0638 34.01484 ?        ?        0.000000       34.01484 
1 1 1 15  25 20 o 188.7894 22.55330 1101.199       244.7776 952.5536       286.1210 1506.965       472.7292 172.4370 29.34230 211.4168 39.58043 -38.97981      49.27049 
1 1 1 15  25 21 o 116.4337 33.82327 449.2610       244.6070 508.3369       290.5485 305.4925       453.2576 122.9845 37.15654 111.4427 44.97141 11.54178       58.33555 
1 1 1 15  25 22 o 84.38983 35.32974 99.65833       293.4287 99.65833       293.4287 0.000000       0.000000 84.38983 35.32974 ?        ?        0.000000       35.32974 
1 1 1 15  25 23 o 147.8516 28.69624 714.3590       239.8532 726.7347       276.7323 676.9878       480.8884 146.9503 32.92765 136.2996 48.19416 10.65071       58.36872 
1 1 1 15  25 24 o 49.37147 23.90951 -310.5873      213.2805 -252.4502      241.9116 -513.5067      451.9512 56.33495 26.79473 72.81429 35.15070 -16.47933      44.19875 
1 1 1 15  25 25 o 109.5159 30.56828 409.8601       203.7834 503.4524       225.9362 1.575777       471.8970 120.8594 31.54458 91.71590 41.38311 29.14346       52.03482 
1 1 1 15  25 26 o 55.34816 25.89737 -155.5791      209.6595 -91.58334      236.2521 -392.8104      454.8688 62.79995 28.70435 74.96040 35.94880 -12.16046      46.00278 
1 1 1 15  25 27 o 261.8849 15.52909 2097.619       237.4394 2104.187       271.3620 2076.166       490.4366 260.5774 17.86476 240.7843 35.81909 19.79312       40.02695 
1 1 1 15  25 28 f 54.87865 25.89041 -177.9540      217.2198 -81.52608      247.1480 -505.3392      455.3918 64.11554 29.32577 70.66270 34.38560 -6.547157      45.19260 
1 1 1 15  25 29 o 77.18856 30.86502 155.0240       211.4452 174.6664       239.5946 85.85571       449.6066 81.10712 32.70838 89.75349 40.45512 -8.646362      52.02360 
1 1 1 15  25 30 o 60.75103 27.34857 -32.82191      204.7440 -105.9933      233.2597 212.7637       427.3369 60.19804 27.87736 93.34118 40.88923 -33.14314      49.48814 
1 1 1 15  25 31 o 90.90753 32.15314 296.3973       214.0560 331.8589       240.4565 160.9861       469.8775 94.92680 34.02463 91.41290 41.26599 3.513908       53.48418 
1 1 1 15  25 32 o 64.21833 28.02535 35.67611       199.0934 161.8830       224.4271 -430.5791      431.3657 77.05678 31.44207 68.03255 33.18573 9.024223       45.71539 
1 1 1 15  25 33 o 93.55002 31.93848 329.1833       210.2851 242.4228       235.2410 674.2430       469.1362 84.38631 32.92201 116.2600 46.14318 -31.87366      56.68379 
1 1 1 15  25 34 o 46.27165 22.77769 -358.4835      217.9194 -391.6277      246.0197 -237.7496      469.5486 49.08505 24.17022 74.60668 35.96926 -25.52163      43.33575 
1 1 1 15  25 35 o 59.21942 27.22820 -54.25381      216.8541 -251.4578      248.2596 580.6187       445.4423 53.90199 26.02856 107.6299 44.15056 -53.72787      51.25191 
1 1 1 15  25 36 o 57.05216 26.57926 -89.21042      216.9891 -101.1855      245.3325 -46.18184      465.0450 59.79221 27.98882 78.67950 37.34428 -18.88729      46.66872 
1 1 1 15  25 37 o 65.69769 20.95270 145.2152       91.00430 145.9196       93.51871 132.6412       395.1096 65.85677 21.26361 81.22884 37.12516 -15.37208      42.78340 
1 1 1 15  25 38 o 59.33368 25.21199 61.55728       153.0567 81.83460       167.5768 -40.47515      375.9046 62.82413 26.52342 72.77085 34.24736 -9.946716      43.31713 
1 1 1 15  26 0  o 426.2870 22.38584 5473.980       557.7007 5473.980       557.7007 0.000000       0.000000 426.2870 22.38584 ?        ?        0.000000       22.38584 
1 1 1 15  26 1  o 267.8193 9.629494 2115.596       151.0040 0.000000       0.000000 2115.596       151.0040 ?        ?        267.8193 9.629494 0.000000       9.629494 
1 1 1 15  26 2  o 483.0109 10.99982 6881.983       311.5968 0.000000       0.000000 6881.983       311.5968 ?        ?        483.0109 10.99982 0.000000       10.99982 
1 1 1 15  26 3  o 339.1039 9.589283 3389.964       190.5168 0.000000       0.000000 3389.964       190.5168 ?        ?        339.1039 9.589283 0.000000       9.589283 
1 1 1 15  26 4  o 289.8894 8.697879 2475.682       147.7083 2203.704       400.2148 2518.572       158.9285 268.6700 25.71277 292.2986 9.282728 -23.62851      27.33708 
1 1 1 15  26 5  o 71.02942 21.71604 152.1342       98.84629 -238.6714      406.1817 176.7352       101.9100 81.20063 37.30904 75.83154 21.77261 5.369095       43.19735 
1 1 1 15  26 6  o 46.89670 19.62406 13.10926       90.46735 -324.9963      351.5001 37.09488       93.62131 70.80245 33.25702 50.87539 20.47085 19.92706       39.05234 
1 1 1 15  26 7  f 315.3365 8.560549 2928.924       158.1701 3082.637       389.0176 2898.480       173.1262 320.0646 20.83764 313.5438 9.425568 6.520782       22.87026 
1 1 1 15  26 8  o 300.8224 8.490936 2665.708       149.6517 2903.883       380.0305 2621.996       162.8063 310.4786 20.99411 298.2052 9.320496 12.27338       22.97008 
1 1 1 15  26 9  o 437.7438 8.869639 5642.768       227.7070 6182.643       475.1760 5481.836       259.4353 454.9672 17.84295 431.1497 10.26007 23.81747       20.58252 
1 1 1 15  26 10 o 233.4244 26.73208 1680.060       359.3629 1680.060       359.3629 0.000000       0.000000 233.4244 26.73208 ?        ?        0.000000       26.73208 
1 1 1 15  26 11 o 257.9380 8.813990 1961.944       133.1373 3121.166       410.9991 1826.041       140.7254 321.1392 21.95417 248.6904 9.666981 72.44884       23.98825 
1 1 1 15  26 12 o 352.9056 9.353777 3673.654       193.4252 3653.522       402.7737 3679.689       220.5178 348.4056 19.79318 352.8843 10.66743 -4.478699      22.48475 
1 1 1 15  26 13 o 222.0068 27.88532 1535.683       355.0821 1535.683       355.0821 0.000000       0.000000 222.0068 27.88532 ?        ?        0.000000       27.88532 
1 1 1 15  26 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  26 15 o 138.9719 39.89512 648.9023       342.1903 648.9023       342.1903 0.000000       0.000000 138.9719 39.89512 ?        ?        0.000000       39.89512 
1 1 1 15  26 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  26 17 o 223.7568 25.15576 1555.281       324.4024 1555.281       324.4024 0.000000       0.000000 223.7568 25.15576 ?        ?        0.000000       25.15576 
1 1 1 15  26 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  26 19 o 120.9055 36.47622 487.2491       280.1491 487.2491       280.1491 0.000000       0.000000 120.9055 36.47622 ?        ?        0.000000       36.47622 
1 1 1 15  26 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  26 21 o 76.33916 31.99001 71.95699       240.9263 35.04052       283.1479 168.7985       458.5999 78.55506 33.85358 102.3774 43.57669 -23.82230      55.18146 
1 1 1 15  26 22 o 123.5867 31.30253 513.5276       227.0940 473.0250       267.5370 617.9444       429.5635 117.4887 35.68828 130.8557 45.60542 -13.36701      57.90948 
1 1 1 15  26 23 o 66.40206 29.12542 -7.017299      217.4396 228.8919       251.4558 -706.3115      432.9315 89.94688 34.31403 65.67410 32.28459 24.27278       47.11419 
1 1 1 15  26 24 o 172.5229 22.00820 943.7997       217.6174 880.9373       243.2458 1195.848       487.0703 164.1659 26.14031 173.4097 46.81042 -9.243851      53.61466 
1 1 1 15  26 25 o 91.73161 32.11616 277.3674       213.1725 353.5093       237.6720 -35.89077      482.0780 100.9878 33.95892 89.34838 40.90094 11.63941       53.16103 
1 1 1 15  26 26 o 121.7390 31.31634 523.3901       224.8590 362.0741       251.1609 1174.846       504.7262 101.3104 34.89475 165.1137 48.75837 -63.80333      59.95851 
1 1 1 15  26 27 o 49.53234 24.01125 -296.4496      216.4758 -464.6040      241.2044 399.8015       490.8106 47.54762 23.51001 108.1493 45.51066 -60.60171      51.22442 
1 1 1 15  26 28 o 128.1442 30.36568 583.1171       224.6932 435.9992       253.6569 1119.217       484.2136 108.1604 35.02771 158.3123 47.99642 -50.15186      59.41883 
1 1 1 15  26 29 f 64.56010 28.34830 18.73906       206.4978 92.54598       238.6119 -201.4342      412.1220 73.54357 31.37233 74.57265 35.32476 -1.029076      47.24470 
1 1 1 15  26 30 o 103.8250 31.35813 399.5906       206.9650 452.7573       237.5018 231.7990       421.9220 108.8328 33.73157 92.69214 40.61647 16.14062       52.79693 
1 1 1 15  26 31 f 87.38115 32.02605 270.0412       214.6044 278.6523       244.6795 241.3301       446.7785 88.87453 33.86213 93.15704 41.26694 -4.282516      53.38168 
1 1 1 15  26 32 o 62.65960 27.93201 5.293359       207.9572 16.66242       234.3012 -36.90688      451.4084 66.35025 29.60813 80.72986 37.84629 -14.37961      48.05188 
1 1 1 15  26 33 o 86.25595 31.86835 271.8849       213.2007 104.7099       245.8924 778.1868       427.9216 72.89809 31.48253 124.0925 45.26436 -51.19437      55.13630 
1 1 1 15  26 34 o 83.14088 31.53215 249.0137       211.5658 226.3880       244.5173 316.4003       421.9832 81.87679 33.03420 92.57978 40.59186 -10.70299      52.33505 
1 1 1 15  26 35 o 114.4813 32.78318 525.0264       231.3384 613.7684       270.4012 282.7097       446.8229 120.7594 35.69548 90.77675 40.67039 29.98265       54.11329 
1 1 1 15  26 36 o 73.10233 30.93171 142.7058       228.7463 115.3167       291.1641 186.8680       369.7203 75.07317 33.28198 82.76024 37.04328 -7.687073      49.79855 
1 1 1 15  26 37 o 81.50060 31.63908 244.0119       216.4185 268.6523       265.4488 195.1642       373.7485 84.60381 34.31619 83.03519 37.19958 1.568619       50.61037 
1 1 1 15  27 0  o 163.9747 44.05473 898.8508       432.6488 898.8508       432.6488 0.000000       0.000000 163.9747 44.05473 ?        ?        0.000000       44.05473 
1 1 1 15  27 1  f 53.63008 21.83912 35.89838       108.0115 0.000000       0.000000 35.89838       108.0115 ?        ?        53.63008 21.83912 0.000000       21.83912 
1 1 1 15  27 2  o 380.7276 8.745692 4267.715       195.2806 4466.950       434.0540 4217.154       218.6598 386.1046 19.22901 378.1318 9.868397 7.972778       21.61343 
1 1 1 15  27 3  o 165.6270 11.70521 814.2062       112.9677 1150.166       378.9372 781.4358       118.3492 189.3134 35.43193 162.0962 12.54682 27.21718       37.58782 
1 1 1 15  27 4  o 172.1204 20.91770 901.0911       206.8229 1222.352       355.9882 737.4001       254.1084 196.7563 31.94471 152.7963 29.42413 43.96002       43.43091 
1 1 1 15  27 5  o 347.4784 8.772200 3557.676       178.6238 3439.949       430.6019 3582.144       196.3111 337.4797 21.87377 348.5041 9.613945 -11.02441      23.89330 
1 1 1 15  27 6  o 195.0965 9.767419 1124.844       111.4028 1261.202       363.6687 1110.724       117.0290 199.6284 32.15428 193.7752 10.33519 5.853149       33.77445 
1 1 1 15  27 7  o 302.9986 8.624871 2705.721       153.1093 2768.141       398.4694 2694.908       165.8406 302.0904 22.65599 302.2563 9.366762 -0.1659241     24.51592 
1 1 1 15  27 8  o 212.0217 9.811745 1328.379       121.6740 1060.906       375.2138 1359.811       128.6247 180.5665 36.68446 214.4450 10.25696 -33.87848      38.09140 
1 1 1 15  27 9  o 149.8728 12.01695 668.4910       104.7408 -56.18285      347.8990 740.7235       109.8369 82.54306 36.49741 157.8214 11.95568 -75.27837      38.40572 
1 1 1 15  27 10 o 78.69081 36.02016 -192.3963      373.8174 -192.3963      373.8174 0.000000       0.000000 78.69081 36.02016 ?        ?        0.000000       36.02016 
1 1 1 15  27 11 o 413.4019 10.07620 5044.728       244.2980 4944.957       457.6057 5084.498       288.9144 405.3161 19.30622 414.3232 11.90227 -9.007050      22.68026 
1 1 1 15  27 12 o 425.7203 10.23706 5352.784       255.5937 4951.633       451.3461 5542.158       310.1096 405.5072 19.03154 432.3552 12.24226 -26.84799      22.62901 
1 1 1 15  27 13 o 85.87568 25.56320 230.2585       138.2888 1051.051       361.6983 89.73566       149.6591 178.8657 35.73122 66.96844 26.22058 111.8973       44.31973 
1 1 1 15  27 14 o 75.14459 34.24442 -149.4591      333.0246 -149.4591      333.0246 0.000000       0.000000 75.14459 34.24442 ?        ?        0.000000       34.24442 
1 1 1 15  27 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  27 16 o 216.0241 26.64806 1463.084       330.4636 1463.084       330.4636 0.000000       0.000000 216.0241 26.64806 ?        ?        0.000000       26.64806 
1 1 1 15  27 17 o 165.7025 33.22127 902.4673       311.5966 902.4673       311.5966 0.000000       0.000000 165.7025 33.22127 ?        ?        0.000000       33.22127 
1 1 1 15  27 18 o 189.9045 28.96875 1155.325       312.4400 1155.325       312.4400 0.000000       0.000000 189.9045 28.96875 ?        ?        0.000000       28.96875 
1 1 1 15  27 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  27 20 o 112.9159 36.16224 428.8841       270.8597 428.8841       270.8597 0.000000       0.000000 112.9159 36.16224 ?        ?        0.000000       36.16224 
1 1 1 15  27 21 o 133.8522 28.49273 592.2466       216.8025 450.8282       256.4870 946.1515       405.7473 114.5827 34.97124 160.5137 42.45541 -45.93102      55.00409 
1 1 1 15  27 22 o 79.70045 31.47964 153.1740       217.3630 270.7185       253.4894 -173.3107      422.4645 93.85869 34.73623 80.70200 37.42268 13.15669       51.05940 
1 1 1 15  27 23 o 134.1723 32.37484 628.3312       251.8074 628.3312       251.8074 0.000000       0.000000 134.1723 32.37484 ?        ?        0.000000       32.37484 
1 1 1 15  27 24 o 77.56986 30.55971 153.9599       204.3746 341.7754       233.7422 -455.7550      421.1482 99.39320 33.67681 69.62066 33.68744 29.77254       47.63372 
1 1 1 15  27 25 o 72.23936 30.29441 87.95160       216.3081 27.04686       246.0664 295.0588       453.7581 70.89650 31.04316 101.9754 43.37371 -31.07888      53.33813 
1 1 1 15  27 26 o 44.89082 22.29403 -477.9945      225.9948 -438.9799      259.1724 -601.7852      461.6564 50.81295 24.97908 68.65056 33.66471 -17.83760      41.91977 
1 1 1 15  27 27 o 86.19627 31.62577 244.7031       209.3617 299.7982       239.1158 63.72711       433.3732 93.01840 33.85011 87.42855 39.53348 5.589851       52.04542 
1 1 1 15  27 28 o 73.14628 30.17984 120.9596       209.7219 46.07800       244.2093 331.3438       409.3371 70.63134 30.92646 98.99920 41.60521 -28.36786      51.84052 
1 1 1 15  27 29 o 89.55841 32.53131 284.9439       220.7072 276.4079       258.8581 307.6706       422.3789 89.52519 34.64406 96.65976 41.49756 -7.134567      54.05792 
1 1 1 15  27 30 o 60.97072 27.33278 -13.63371      202.1393 -49.81517      229.2201 112.9233       428.6994 62.05080 28.32841 86.31451 39.14555 -24.26371      48.32053 
1 1 1 15  27 31 o 47.06863 22.98556 -301.9587      208.6214 -252.4162      234.1909 -492.3968      459.1532 52.60406 25.37165 68.04390 33.40908 -15.43984      41.95101 
1 1 1 15  27 32 o 101.5190 31.73935 398.9922       209.7790 569.7794       241.1266 -132.7344      425.4629 120.3266 33.12499 74.87821 35.59169 45.44839       48.62133 
1 1 1 15  27 33 o 98.28807 32.44010 382.3328       217.0845 469.2319       248.1830 99.30430       447.8984 106.6521 34.65609 83.59583 38.68367 23.05630       51.93718 
1 1 1 15  27 34 o 62.66555 28.42605 -10.34284      226.1996 231.7866       259.9986 -764.2429      458.7797 82.45515 33.76672 61.05422 30.54625 21.40093       45.53312 
1 1 1 15  27 35 o 75.83098 30.73007 184.5881       212.6468 229.9263       264.8517 102.3450       356.7140 81.71280 33.83390 78.03664 35.51547 3.676155       49.05183 
1 1 1 15  27 36 o 46.37730 22.91426 -378.0155      227.6203 -549.1002      306.6891 -168.2013      339.6333 51.24892 25.53667 65.42825 31.29314 -14.17932      40.39038 
1 1 1 15  27 37 f 93.78648 33.47477 368.9264       232.4936 402.9270       309.8707 325.1334       351.6735 94.59785 37.51562 88.86888 38.00286 5.728966       53.40075 
1 1 1 15  28 0  o 55.57860 22.64800 39.28818       116.2556 -148.0881      409.6795 55.69841       121.2395 85.05621 38.45140 58.54763 23.38493 26.50857       45.00405 
1 1 1 15  28 1  o 166.5271 20.54678 844.8680       196.4175 1276.263       386.5402 694.7046       228.0548 199.6025 34.25307 148.6873 27.15283 50.91522       43.70983 
1 1 1 15  28 2  o 141.5554 14.83410 601.4477       121.3242 0.000000       0.000000 601.4477       121.3242 ?        ?        141.5554 14.83410 0.000000       14.83410 
1 1 1 15  28 3  o 266.6992 9.928711 2100.832       155.0266 0.000000       0.000000 2100.832       155.0266 ?        ?        266.6992 9.928711 0.000000       9.928711 
1 1 1 15  28 4  o 271.8668 8.768354 2179.611       139.6228 2236.332       373.3402 2170.388       150.5472 270.6728 23.75932 271.1617 9.481184 -0.4889221     25.58121 
1 1 1 15  28 5  o 145.9503 12.72320 635.4238       107.8185 433.5116       358.0014 655.5645       113.0681 119.0826 41.62496 148.1783 13.14715 -29.09571      43.65186 
1 1 1 15  28 6  o 176.6528 11.44336 926.3090       117.9183 639.3477       359.2918 960.9497       124.8329 138.6904 41.18477 179.8511 11.90187 -41.16064      42.87003 
1 1 1 15  28 7  o 84.99490 21.17863 226.2619       105.1832 -50.94440      372.4346 250.2886       109.6468 85.37332 37.75502 89.37700 21.23400 -4.003677      43.31656 
1 1 1 15  28 8  o 97.10839 20.38635 294.1587       112.3995 64.19012       366.0565 318.0978       118.1049 91.12184 38.86379 101.0099 20.63477 -9.888016      44.00214 
1 1 1 15  28 9  o 233.4935 9.624709 1611.605       131.5167 1659.784       377.4555 1604.948       140.3092 230.0575 28.59064 232.8750 10.29883 -2.817520      30.38899 
1 1 1 15  28 10 o 142.5443 13.76063 609.2125       113.6089 790.5173       370.3585 590.3800       119.3635 152.6576 40.64706 140.0738 14.75114 12.58382       43.24095 
1 1 1 15  28 11 o 156.9238 12.43946 734.6932       113.5469 391.6927       365.1191 771.4172       119.4710 114.5049 41.80431 160.7467 12.77779 -46.24182      43.71352 
1 1 1 15  28 12 o 122.6360 41.72271 488.1438       358.8098 488.1438       358.8098 0.000000       0.000000 122.6360 41.72271 ?        ?        0.000000       41.72271 
1 1 1 15  28 13 o 95.14434 37.34937 212.1410       304.3263 212.1410       304.3263 0.000000       0.000000 95.14434 37.34937 ?        ?        0.000000       37.34937 
1 1 1 15  28 14 o 65.71061 31.00065 -290.9455      311.4315 -290.9455      311.4315 0.000000       0.000000 65.71061 31.00065 ?        ?        0.000000       31.00065 
1 1 1 15  28 15 o 226.0297 26.62393 1603.843       346.1673 1603.843       346.1673 0.000000       0.000000 226.0297 26.62393 ?        ?        0.000000       26.62393 
1 1 1 15  28 16 o 216.7150 27.67939 1488.345       343.7811 1488.345       343.7811 0.000000       0.000000 216.7150 27.67939 ?        ?        0.000000       27.67939 
1 1 1 15  28 17 o 346.2849 18.66628 3641.083       377.6883 3641.083       377.6883 0.000000       0.000000 346.2849 18.66628 ?        ?        0.000000       18.66628 
1 1 1 15  28 18 o 249.1437 22.23973 1924.057       321.5470 1924.057       321.5470 0.000000       0.000000 249.1437 22.23973 ?        ?        0.000000       22.23973 
1 1 1 15  28 19 o 123.5047 36.03861 528.2756       277.1436 528.2756       277.1436 0.000000       0.000000 123.5047 36.03861 ?        ?        0.000000       36.03861 
1 1 1 15  28 20 o 132.6799 33.80719 610.4567       263.7802 610.4567       263.7802 0.000000       0.000000 132.6799 33.80719 ?        ?        0.000000       33.80719 
1 1 1 15  28 21 o 78.04958 31.00422 144.2890       211.9733 212.4986       253.2056 -15.50154      387.5483 87.82368 34.18647 83.98483 37.73225 3.838860       50.91599 
1 1 1 15  28 22 o 75.04381 30.45827 120.8476       209.2757 246.7062       247.6716 -193.3261      391.3088 90.02000 34.12245 75.76175 35.42646 14.25826       49.18715 
1 1 1 15  28 23 o 78.69659 32.18967 138.4801       235.9332 138.4801       235.9332 0.000000       0.000000 78.69659 32.18967 ?        ?        0.000000       32.18967 
1 1 1 15  28 24 o 50.97238 24.60063 -279.1159      221.0399 -174.4627      251.5757 -633.4203      462.8930 59.95449 28.15334 68.24652 33.51588 -8.292034      43.77128 
1 1 1 15  28 25 o 93.60578 33.37966 302.3046       231.1221 321.4154       265.7932 243.0515       468.0157 96.28711 35.58112 98.52739 42.98395 -2.240280      55.79996 
1 1 1 15  28 26 o 105.4626 31.85107 404.9881       213.5270 403.4599       239.9426 410.8051       468.1190 104.3492 34.08746 106.1608 44.54590 -1.811562      56.09182 
1 1 1 15  28 27 f 135.8331 31.29661 671.9643       244.1889 803.0146       287.1139 329.3246       464.2522 146.2064 34.11103 99.95706 43.21386 46.24931       55.05452 
1 1 1 15  28 28 o 69.75124 30.00234 73.48717       221.5784 19.16938       254.5638 243.2872       450.0849 69.30516 30.89856 93.98878 41.53767 -24.68362      51.76967 
1 1 1 15  28 29 o 67.71544 29.02676 71.95153       206.0702 277.9516       241.0614 -487.1667      397.1420 88.52199 33.63857 63.45918 31.14040 25.06281       45.83970 
1 1 1 15  28 30 o 50.08209 23.92907 -188.0479      197.5173 -395.4753      227.8511 439.1233       396.1968 46.67014 23.03413 101.8599 41.69464 -55.18972      47.63417 
1 1 1 15  28 31 o 81.70197 31.83490 227.9511       219.7412 189.0461       256.1894 336.2462       427.4278 79.83066 33.18456 94.72681 41.20531 -14.89615      52.90645 
1 1 1 15  28 32 o 87.45644 31.71227 289.2776       209.6107 217.2444       233.9676 582.2105       471.8168 80.58949 32.38418 106.8045 44.76252 -26.21497      55.24870 
1 1 1 15  28 33 o 43.88955 21.74793 -389.9234      210.4996 -359.3065      240.1824 -491.3352      437.1237 48.93093 24.05244 64.83310 31.98073 -15.90217      40.01608 
1 1 1 15  28 34 o 75.59829 30.61658 183.1832       210.9280 -178.5825      255.4207 958.8884       374.0165 57.08572 27.25784 141.4345 42.02534 -84.34882      50.09111 
1 1 1 15  28 35 o 124.9583 29.87957 601.1971       216.0077 123.7003       275.1964 1367.515       348.6277 74.31365 32.67527 185.7362 33.22458 -111.4225      46.59985 
1 1 1 15  28 36 o 102.1097 32.42657 431.6032       218.1552 489.6423       293.2695 359.7003       326.4224 102.9280 37.48305 91.14045 37.63261 11.78758       53.11490 
1 1 1 15  29 0  o 241.8805 11.03130 1733.018       156.0751 0.000000       0.000000 1733.018       156.0751 ?        ?        241.8805 11.03130 0.000000       11.03130 
1 1 1 15  29 1  o 41.74123 19.59732 -121.6017      121.8064 0.000000       0.000000 -121.6017      121.8064 ?        ?        41.74123 19.59732 0.000000       19.59732 
1 1 1 15  29 2  o 155.9707 13.20918 726.7175       119.6933 905.2983       361.9632 704.7925       126.8282 164.9340 38.17561 153.3480 14.26583 11.58597       40.75404 
1 1 1 15  29 3  o 55.76115 23.11259 30.06884       123.7731 0.000000       0.000000 30.06884       123.7731 ?        ?        55.76115 23.11259 0.000000       23.11259 
1 1 1 15  29 4  o 219.2668 10.15938 1422.904       130.2893 1785.538       363.5280 1369.457       139.5607 239.8597 26.27152 214.9060 11.11070 24.95374       28.52438 
1 1 1 15  29 5  o 221.8167 10.02990 1455.968       130.1417 1344.420       370.9322 1471.626       138.9762 204.9825 31.89188 222.8782 10.66311 -17.89561      33.62728 
1 1 1 15  29 6  o 122.1934 16.49061 453.9209       115.1638 418.3318       398.2603 457.1683       120.3033 118.3460 43.58563 122.4438 17.22872 -4.097801      46.86721 
1 1 1 15  29 7  o 445.3611 9.359438 5853.533       244.4627 6233.032       540.3806 5755.881       274.1165 453.8020 20.35587 441.2363 10.59287 12.56577       22.94712 
1 1 1 15  29 8  o 165.0650 12.10215 811.8882       116.3426 1017.404       408.9596 793.7909       121.3570 172.7836 40.98151 163.0527 12.79310 9.730865       42.93189 
1 1 1 15  29 9  f 165.0577 12.33723 812.5283       118.5634 57.05703       387.8198 890.4169       124.5255 92.12515 39.65996 172.8213 12.36775 -80.69617      41.54364 
1 1 1 15  29 10 f 244.2124 10.65487 1767.662       152.2370 1268.275       378.4474 1864.074       166.2843 197.1812 33.95049 250.6204 11.34257 -53.43918      35.79510 
1 1 1 15  29 11 o 203.7081 11.15228 1232.519       132.7280 1270.177       327.1205 1225.098       145.2189 200.0166 28.70805 202.8226 12.26565 -2.806076      31.21856 
1 1 1 15  29 12 o 88.90349 37.04397 115.2451       320.3400 115.2451       320.3400 0.000000       0.000000 88.90349 37.04397 ?        ?        0.000000       37.04397 
1 1 1 15  29 13 o 79.98217 35.02869 -7.379603      313.4491 -7.379603      313.4491 0.000000       0.000000 79.98217 35.02869 ?        ?        0.000000       35.02869 
1 1 1 15  29 14 o 174.4138 34.75396 1013.736       343.0092 1013.736       343.0092 0.000000       0.000000 174.4138 34.75396 ?        ?        0.000000       34.75396 
1 1 1 15  29 15 o 191.1858 31.86204 1197.149       344.6895 1197.149       344.6895 0.000000       0.000000 191.1858 31.86204 ?        ?        0.000000       31.86204 
1 1 1 15  29 16 o 136.6074 38.44324 650.9342       320.9132 650.9342       320.9132 0.000000       0.000000 136.6074 38.44324 ?        ?        0.000000       38.44324 
1 1 1 15  29 17 o 153.3611 34.35948 802.4556       301.3574 802.4556       301.3574 0.000000       0.000000 153.3611 34.35948 ?        ?        0.000000       34.35948 
1 1 1 15  29 18 f 74.89677 32.73977 13.70519       272.6895 13.70519       272.6895 0.000000       0.000000 74.89677 32.73977 ?        ?        0.000000       32.73977 
1 1 1 15  29 19 o 119.6195 35.91186 508.0435       272.0333 508.0435       272.0333 0.000000       0.000000 119.6195 35.91186 ?        ?        0.000000       35.91186 
1 1 1 15  29 20 o 115.5550 36.35957 481.4612       274.8577 481.4612       274.8577 0.000000       0.000000 115.5550 36.35957 ?        ?        0.000000       36.35957 
1 1 1 15  29 21 o 157.2161 26.34827 819.5841       234.3524 853.0394       278.1437 737.7142       435.1103 156.8663 31.33082 134.0205 45.93693 22.84578       55.60415 
1 1 1 15  29 22 o 69.90986 30.04294 51.30931       221.7917 -23.39881      258.9438 257.0735       429.7407 69.13816 30.96943 98.85706 42.13423 -29.71889      52.29148 
1 1 1 15  29 23 o 92.34378 32.72802 290.9294       221.8738 168.7896       261.9326 601.1704       417.4560 82.59274 33.86536 120.8699 44.60469 -38.27718      56.00394 
1 1 1 15  29 24 o 121.6393 32.62903 539.9598       237.5625 539.9598       237.5625 0.000000       0.000000 121.6393 32.62903 ?        ?        0.000000       32.62903 
1 1 1 15  29 25 o 136.2741 26.88322 638.2175       207.2196 798.1046       237.9145 135.7378       421.7679 152.1304 27.68538 89.39820 39.81971 62.73225       48.49835 
1 1 1 15  29 26 o 93.87809 33.09040 321.2769       226.5653 346.3469       264.3323 251.8642       439.8372 96.58908 35.51966 94.65331 41.47298 1.935776       54.60453 
1 1 1 15  29 27 o 68.66359 29.84437 57.34325       223.8530 63.10587       257.9493 39.76524       450.5148 72.33849 31.72618 84.80219 39.08301 -12.46370      50.33917 
1 1 1 15  29 28 o 49.02292 23.77905 -271.3226      213.1672 -405.8391      248.3983 104.5641       415.2305 49.32389 24.28762 84.82117 38.49104 -35.49728      45.51317 
1 1 1 15  29 29 o 77.31344 30.81982 183.2422       210.1759 203.3794       243.2254 123.8791       417.6071 80.84737 32.82783 84.84187 38.54008 -3.994492      50.62612 
1 1 1 15  29 30 o 59.99846 27.39790 -40.22726      214.5728 -17.99214      248.4331 -105.5270      425.7411 65.07798 29.62602 75.59483 35.83676 -10.51685      46.49704 
1 1 1 15  29 31 o 94.07465 32.67680 349.6541       220.4380 489.2747       253.4183 -84.47649      446.8621 108.3348 35.00521 76.78683 36.49228 31.54800       50.56730 
1 1 1 15  29 32 o 84.72586 31.74288 268.3062       212.9399 493.6848       244.3309 -443.6421      434.2563 109.1407 34.27268 65.64855 32.28429 43.49218       47.08388 
1 1 1 15  29 33 o 54.55121 25.85369 -142.7835      221.2895 -95.34087      274.4062 -231.0192      374.2239 62.64684 29.41301 66.25307 31.98387 -3.606232      43.45219 
1 1 1 15  29 34 o 51.30985 24.48600 -164.9298      205.5001 -214.3525      278.1967 -105.5739      304.8740 57.95158 27.87520 64.77588 30.59386 -6.824295      41.38854 
1 1 1 15  29 35 o 51.40435 24.64435 -182.3685      213.4037 52.87251       290.8530 -456.6825      314.0805 70.70955 32.13736 53.98519 26.71738 16.72436       41.79268 
1 1 1 15  30 0  o 389.5531 9.100244 4477.883       207.9075 5539.056       494.0511 4249.518       229.1893 427.9269 19.73891 379.0149 10.32029 48.91208       22.27404 
1 1 1 15  30 1  f 173.6166 14.16111 903.0078       142.9400 0.000000       0.000000 903.0078       142.9400 ?        ?        173.6166 14.16111 0.000000       14.16111 
1 1 1 15  30 2  o 255.7710 10.00602 1935.851       149.8045 1497.331       384.1697 2014.487       162.6826 216.3935 31.16885 260.7639 10.66006 -44.37032      32.94137 
1 1 1 15  30 3  o 103.7378 20.78808 336.6329       122.0643 776.3612       369.0095 282.6054       129.3459 150.6308 40.77959 94.39828 23.46472 56.23253       47.04857 
1 1 1 15  30 4  o 65.54579 23.90167 110.7912       119.3059 -256.1104      353.7879 157.8691       126.7292 72.72983 33.90168 73.53510 24.79750 -0.8052673     42.00286 
1 1 1 15  30 5  o 96.17084 20.97198 290.6480       114.9454 505.1460       375.2577 268.4386       120.7496 124.2742 42.65854 92.09916 22.54119 32.17509       48.24786 
1 1 1 15  30 6  o 209.8742 10.87598 1307.146       133.4116 1331.349       400.8803 1304.132       141.4760 201.2516 35.24826 209.4704 11.56104 -8.218765      37.09579 
1 1 1 15  30 7  o 76.75691 23.52715 181.8362       115.9266 17.74171       392.2128 197.5441       121.3483 90.04609 39.31535 79.68391 23.99935 10.36218       46.06153 
1 1 1 15  30 8  o 164.5105 13.07657 809.5345       125.1273 457.6520       382.3391 851.7434       132.4195 119.9420 42.91432 168.6631 13.49955 -48.72115      44.98751 
1 1 1 15  30 9  o 116.1061 18.24075 415.1480       120.1169 -326.3554      379.5671 497.6705       126.6246 72.79445 34.30637 127.6025 17.37092 -54.80802      38.45356 
1 1 1 15  30 10 o 117.1490 18.27310 422.8311       121.4500 317.7888       359.3953 436.3729       129.0412 106.9706 40.96999 118.7736 19.17815 -11.80296      45.23650 
1 1 1 15  30 11 o 242.9633 10.77278 1752.200       153.1221 1853.154       372.6759 1731.696       167.9535 242.6858 26.62043 241.2115 11.90928 1.474213       29.16296 
1 1 1 15  30 12 o 216.3644 29.26200 1501.895       361.8039 1501.895       361.8039 0.000000       0.000000 216.3644 29.26200 ?        ?        0.000000       29.26200 
1 1 1 15  30 13 o 197.8803 31.62503 1282.239       354.6646 1282.239       354.6646 0.000000       0.000000 197.8803 31.62503 ?        ?        0.000000       31.62503 
1 1 1 15  30 14 o 236.8650 26.57192 1782.545       362.7692 1782.545       362.7692 0.000000       0.000000 236.8650 26.57192 ?        ?        0.000000       26.57192 
1 1 1 15  30 15 o 184.6511 33.01504 1143.651       344.4068 1143.651       344.4068 0.000000       0.000000 184.6511 33.01504 ?        ?        0.000000       33.01504 
1 1 1 15  30 16 o 101.4698 38.20213 318.4731       309.2264 318.4731       309.2264 0.000000       0.000000 101.4698 38.20213 ?        ?        0.000000       38.20213 
1 1 1 15  30 17 o 88.41483 36.17280 177.9084       298.0165 177.9084       298.0165 0.000000       0.000000 88.41483 36.17280 ?        ?        0.000000       36.17280 
1 1 1 15  30 18 o 148.7350 34.94007 787.4446       299.5679 787.4446       299.5679 0.000000       0.000000 148.7350 34.94007 ?        ?        0.000000       34.94007 
1 1 1 15  30 19 o 170.2992 29.69143 985.4257       285.7714 985.4257       285.7714 0.000000       0.000000 170.2992 29.69143 ?        ?        0.000000       29.69143 
1 1 1 15  30 20 o 124.0135 35.91176 569.0650       276.1428 569.0650       276.1428 0.000000       0.000000 124.0135 35.91176 ?        ?        0.000000       35.91176 
1 1 1 15  30 21 o 71.42453 31.85525 -3.209459      270.8327 -3.209459      270.8327 0.000000       0.000000 71.42453 31.85525 ?        ?        0.000000       31.85525 
1 1 1 15  30 22 o 56.63503 26.52513 -150.0983      220.8390 -158.7266      255.5707 -124.6668      438.7669 60.96994 28.54876 80.64355 37.64480 -19.67360      47.24577 
1 1 1 15  30 23 o 58.89548 27.25526 -107.0010      222.3917 72.01594       262.3429 -564.1913      419.2478 74.66730 32.38214 65.07341 31.94527 9.593895       45.48740 
1 1 1 15  30 24 o 60.44023 27.80376 -83.33890      226.5227 -83.33890      226.5227 0.000000       0.000000 60.44023 27.80376 ?        ?        0.000000       27.80376 
1 1 1 15  30 25 o 65.43250 28.65130 32.56979       209.6192 178.4571       238.6042 -460.8447      438.8087 79.77631 32.46939 68.22617 33.32163 11.55014       46.52518 
1 1 1 15  30 26 o 149.0094 24.79809 756.2413       209.0986 800.5638       234.6722 585.4848       460.6148 151.0752 27.49885 112.6115 45.37317 38.46369       53.05574 
1 1 1 15  30 27 o 74.54213 30.08425 155.5999       202.8656 71.81472       220.9756 604.8224       511.6719 68.93044 29.80710 111.3766 46.64242 -42.44613      55.35321 
1 1 1 15  30 28 o 71.45473 29.78881 123.3564       207.3043 60.70051       230.4616 388.9687       474.5058 68.57270 30.03373 98.65433 43.15498 -30.08163      52.57735 
1 1 1 15  30 29 o 87.28986 31.94179 284.4680       213.3460 294.8712       250.2673 256.8048       408.1053 88.57450 34.12068 89.69308 39.60000 -1.118576      52.27218 
1 1 1 15  30 30 o 64.78025 29.03542 19.56787       227.9970 192.4149       267.1615 -443.7555      437.4062 79.74887 33.56926 66.07180 32.47431 13.67707       46.70628 
1 1 1 15  30 31 f 73.47220 30.58170 150.7812       217.9883 53.56928       252.6000 434.3909       431.4536 68.96038 30.75974 97.78223 41.95956 -28.82185      52.02660 
1 1 1 15  30 32 f 52.44863 25.08730 -179.6213      218.3800 -87.33049      261.4922 -392.3660      397.0166 61.66117 28.87409 63.42579 31.12635 -1.764618      42.45660 
1 1 1 15  30 33 o 148.4929 25.43196 788.2274       213.5190 1026.851       296.1924 530.0626       308.0813 161.2041 32.45329 106.4000 38.46492 54.80408       50.32659 
1 1 1 15  30 34 o 95.38626 31.61230 371.2872       206.0825 355.8336       284.6434 388.3114       298.7581 91.02042 36.00076 93.50103 36.91362 -2.480606      51.56229 
1 1 1 15  31 0  o 82.39300 25.89625 210.1068       139.4638 0.000000       0.000000 210.1068       139.4638 ?        ?        82.39300 25.89625 0.000000       25.89625 
1 1 1 15  31 1  f 251.2653 10.40236 1871.146       152.9589 2508.359       391.9673 1756.679       166.1304 285.0521 23.65931 243.1057 11.68631 41.94635       26.38811 
1 1 1 15  31 2  o 96.30990 22.72587 294.3696       126.2787 21.09248       348.1661 335.7643       135.5057 85.57693 37.20751 102.8705 23.03461 -17.29356      43.76062 
1 1 1 15  31 3  o 58.54531 23.45759 57.33861       122.3860 338.7340       371.8851 23.16063       129.6055 109.4611 41.73668 55.84434 23.43633 53.61671       47.86661 
1 1 1 15  31 4  o 158.0978 14.23201 751.1954       130.5491 532.5275       376.1671 781.1393       139.2009 126.0732 42.72207 161.0557 14.90632 -34.98244      45.24792 
1 1 1 15  31 5  o 64.73398 23.68545 108.0063       117.3038 -185.1928      377.4936 139.3441       123.4135 78.17641 35.93705 70.18372 24.44565 7.992699       43.46334 
1 1 1 15  31 6  o 106.0418 22.02714 355.1042       132.5069 0.000000       0.000000 355.1042       132.5069 ?        ?        106.0418 22.02714 0.000000       22.02714 
1 1 1 15  31 7  o 341.5540 9.601817 3451.662       192.1464 3170.489       440.6929 3517.661       213.5098 320.1978 23.63409 344.4785 10.58084 -24.28073      25.89449 
1 1 1 15  31 8  o 208.3032 11.81587 1292.657       143.7565 1924.209       430.5864 1213.431       152.5071 244.3800 30.72023 201.4706 12.97608 42.90945       33.34833 
1 1 1 15  31 9  o 211.2599 12.02149 1330.846       148.3302 1080.609       424.6903 1365.613       158.2994 174.9864 41.93129 213.8117 12.68096 -38.82532      43.80685 
1 1 1 15  31 10 o 217.3120 11.32030 1406.014       143.7779 1747.374       426.9136 1362.342       152.6982 230.8579 32.42396 213.6291 12.23895 17.22882       34.65696 
1 1 1 15  31 11 o 253.6400 23.63341 2009.557       347.5103 2009.557       347.5103 0.000000       0.000000 253.6400 23.63341 ?        ?        0.000000       23.63341 
1 1 1 15  31 12 o 65.15267 30.72989 -262.4724      305.6729 -262.4724      305.6729 0.000000       0.000000 65.15267 30.72989 ?        ?        0.000000       30.72989 
1 1 1 15  31 13 o 116.2781 38.31166 469.4087       302.8244 469.4087       302.8244 0.000000       0.000000 116.2781 38.31166 ?        ?        0.000000       38.31166 
1 1 1 15  31 14 o 294.4690 19.45415 2675.344       334.0891 2675.344       334.0891 0.000000       0.000000 294.4690 19.45415 ?        ?        0.000000       19.45415 
1 1 1 15  31 15 o 118.1761 37.53657 501.2890       292.3165 501.2890       292.3165 0.000000       0.000000 118.1761 37.53657 ?        ?        0.000000       37.53657 
1 1 1 15  31 16 o 100.7714 37.73365 334.6689       300.8142 334.6689       300.8142 0.000000       0.000000 100.7714 37.73365 ?        ?        0.000000       37.73365 
1 1 1 15  31 17 o 212.5018 25.70684 1477.080       313.8727 1477.080       313.8727 0.000000       0.000000 212.5018 25.70684 ?        ?        0.000000       25.70684 
1 1 1 15  31 18 o 180.6660 29.85050 1115.863       305.2491 1115.863       305.2491 0.000000       0.000000 180.6660 29.85050 ?        ?        0.000000       29.85050 
1 1 1 15  31 19 o 106.7261 37.47559 419.6944       290.3949 419.6944       290.3949 0.000000       0.000000 106.7261 37.47559 ?        ?        0.000000       37.47559 
1 1 1 15  31 20 o 167.2607 30.72310 979.3265       290.2740 979.3265       290.2740 0.000000       0.000000 167.2607 30.72310 ?        ?        0.000000       30.72310 
1 1 1 15  31 21 o 112.1616 37.02322 482.2561       282.7539 482.2561       282.7539 0.000000       0.000000 112.1616 37.02322 ?        ?        0.000000       37.02322 
1 1 1 15  31 22 o 91.91691 33.20481 296.7754       229.5295 137.8844       269.2422 719.3903       439.1024 79.56373 33.60666 126.3609 45.88759 -46.79713      56.87775 
1 1 1 15  31 23 o 89.85056 31.42673 287.1603       204.0876 305.0569       232.7679 227.6651       424.4034 92.10729 33.41536 92.79987 40.69766 -0.6925735     52.65820 
1 1 1 15  31 24 o 89.55117 31.73233 288.4752       208.5706 390.0749       246.6210 33.29603       390.8466 100.6964 34.58189 80.88492 36.95139 19.81151       50.60941 
1 1 1 15  31 25 o 88.22407 33.24532 277.3178       234.3045 277.3178       234.3045 0.000000       0.000000 88.22407 33.24532 ?        ?        0.000000       33.24532 
1 1 1 15  31 26 o 74.47565 30.44403 150.6546       210.8736 163.5328       232.6669 91.41046       499.0331 77.06074 31.79073 87.55474 40.62538 -10.49400      51.58558 
1 1 1 15  31 27 o 94.49767 32.03872 343.7316       211.5585 456.1850       230.5077 -257.1027      532.8151 107.2162 33.23129 77.72402 37.67572 29.49220       50.23722 
1 1 1 15  31 28 o 115.2813 31.07494 512.8989       214.8322 494.7694       239.4949 587.5737       486.0617 110.4832 33.80711 107.1560 45.20222 3.327141       56.44609 
1 1 1 15  31 29 o 55.08801 26.02086 -136.9104      220.6463 -222.6582      253.5666 130.5006       447.7857 55.44032 26.65322 84.19068 38.85962 -28.75036      47.12180 
1 1 1 15  31 30 o 50.18515 24.27314 -237.0793      218.0848 -35.02490      253.8725 -806.0402      426.0130 63.82527 29.38763 57.44699 28.83988 6.378277       41.17489 
1 1 1 15  31 31 o 71.64264 29.95539 142.3429       210.5464 63.95393       266.2745 273.1168       343.9240 70.00972 31.37886 86.28906 37.24921 -16.27934      48.70459 
1 1 1 15  31 32 o 86.70621 31.23726 295.1790       202.9661 409.8367       278.5287 165.3560       296.3768 96.50619 36.27288 77.80956 34.06970 18.69663       49.76411 
1 1 1 15  31 33 o 54.85347 25.65794 -88.24727      205.5357 -315.6794      283.7051 162.9801       298.1774 54.71236 26.73690 77.19605 33.97495 -22.48370      43.23376 
1 1 1 15  32 0  o 170.0506 14.58848 870.7860       144.0874 1762.957       417.8748 750.3992       153.5012 233.2046 31.34643 157.0399 16.93417 76.16469       35.62815 
1 1 1 15  32 1  f 155.0173 15.36234 726.8028       137.8300 518.2529       380.7125 758.2598       147.8600 123.8484 42.94743 158.1116 16.17305 -34.26315      45.89171 
1 1 1 15  32 2  o 122.4750 19.47088 465.5185       135.1806 125.9773       371.2795 517.4083       145.1429 93.43205 39.46437 129.1443 19.79326 -35.71228      44.14985 
1 1 1 15  32 3  o 161.3649 14.98059 786.1777       140.1526 772.7024       387.0504 788.2112       150.3561 147.3780 42.46743 161.2142 16.11844 -13.83621      45.42342 
1 1 1 15  32 4  o 309.0769 10.00832 2831.385       181.1779 2131.298       406.7115 3004.708       202.3663 259.3701 27.13844 318.1065 10.86308 -58.73648      29.23186 
1 1 1 15  32 5  o 267.1398 10.12654 2116.834       158.3665 2594.883       412.8068 2034.335       171.4878 288.0562 24.67276 261.5391 11.20608 26.51709       27.09836 
1 1 1 15  32 6  o 337.8482 9.503216 3380.282       188.1096 4029.286       446.5809 3240.293       207.4073 362.0556 21.12345 330.3301 10.72015 31.72549       23.68801 
1 1 1 15  32 7  o 46.74222 21.43970 -82.60077      133.3468 -630.4721      382.9692 -7.014170      142.2482 62.82125 30.77625 54.85523 23.81702 7.966022       38.91566 
1 1 1 15  32 8  o 36.56500 17.91356 -242.4366      129.7629 -264.4764      381.9033 -239.5599      137.9715 74.27142 34.81610 38.47298 18.76712 35.79844       39.55207 
1 1 1 15  32 9  o 158.7131 14.88766 763.1699       136.9588 324.1015       370.0047 832.8798       147.4308 105.6335 41.26648 165.6978 15.34556 -60.06429      44.02736 
1 1 1 15  32 10 o 157.1121 14.86989 749.0010       135.3844 263.3892       358.8121 829.6111       146.1898 99.91836 40.12043 165.2750 15.25403 -65.35667      42.92242 
1 1 1 15  32 11 o 155.1640 37.17020 855.4589       333.8009 855.4589       333.8009 0.000000       0.000000 155.1640 37.17020 ?        ?        0.000000       37.17020 
1 1 1 15  32 12 o 78.25912 34.71850 -1.067817      317.3865 -1.067817      317.3865 0.000000       0.000000 78.25912 34.71850 ?        ?        0.000000       34.71850 
1 1 1 15  32 13 o 123.0728 38.59663 556.6583       309.9728 556.6583       309.9728 0.000000       0.000000 123.0728 38.59663 ?        ?        0.000000       38.59663 
1 1 1 15  32 14 o 129.9255 36.96698 621.2332       295.0836 621.2332       295.0836 0.000000       0.000000 129.9255 36.96698 ?        ?        0.000000       36.96698 
1 1 1 15  32 15 o 176.4652 29.49481 1058.122       294.4844 1058.122       294.4844 0.000000       0.000000 176.4652 29.49481 ?        ?        0.000000       29.49481 
1 1 1 15  32 16 o 75.45692 32.79438 56.24672       270.2480 56.24672       270.2480 0.000000       0.000000 75.45692 32.79438 ?        ?        0.000000       32.79438 
1 1 1 15  32 17 o 106.0306 35.96301 412.2176       266.5604 412.2176       266.5604 0.000000       0.000000 106.0306 35.96301 ?        ?        0.000000       35.96301 
1 1 1 15  32 18 o 285.7701 19.89362 2580.438       331.3301 2580.438       331.3301 0.000000       0.000000 285.7701 19.89362 ?        ?        0.000000       19.89362 
1 1 1 15  32 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  32 20 o 149.1931 34.00691 826.3273       290.9143 826.3273       290.9143 0.000000       0.000000 149.1931 34.00691 ?        ?        0.000000       34.00691 
1 1 1 15  32 21 o 82.85667 34.10512 189.6424       266.9818 189.6424       266.9818 0.000000       0.000000 82.85667 34.10512 ?        ?        0.000000       34.10512 
1 1 1 15  32 22 o 135.6911 34.32371 707.6652       273.2969 707.6652       273.2969 0.000000       0.000000 135.6911 34.32371 ?        ?        0.000000       34.32371 
1 1 1 15  32 23 o 65.11545 28.48405 36.99321       206.7231 127.0519       243.5067 -195.3957      391.1613 75.44049 31.91724 71.61520 34.06524 3.825287       46.68138 
1 1 1 15  32 24 f 81.08238 31.11983 218.6712       207.6490 160.0705       238.6705 401.1676       421.1867 77.28599 32.06998 99.95136 42.11567 -22.66537      52.93593 
1 1 1 15  32 25 o 58.23798 27.32579 -125.4013      236.2004 -125.4013      236.2004 0.000000       0.000000 58.23798 27.32579 ?        ?        0.000000       27.32579 
1 1 1 15  32 26 o 68.80862 29.44600 92.22478       211.4147 -20.83811      237.7457 519.5142       462.1826 63.69324 28.99024 104.3141 44.04454 -40.62086      52.72907 
1 1 1 15  32 27 f 95.39921 33.04302 363.2224       225.3333 526.2939       264.6593 -66.47199      429.6135 111.5210 35.74902 76.31397 36.12506 35.20708       50.82335 
1 1 1 15  32 28 o 67.56827 29.35436 78.56623       216.3491 191.5601       255.9932 -203.8759      404.7304 78.85595 33.00513 69.86317 33.60921 8.992783       47.10539 
1 1 1 15  32 29 o 88.10500 31.86662 303.8545       211.4827 117.4753       255.7075 707.3021       376.2169 72.98703 31.80806 117.9424 42.52360 -44.95534      53.10376 
1 1 1 15  32 30 o 49.91010 23.96476 -189.1518      203.5430 -393.8586      264.9035 105.8981       318.0309 50.50676 24.91048 75.57770 34.04868 -25.07094      42.18820 
1 1 1 15  32 31 o 61.65463 27.61116 20.35263       205.7063 161.5672       282.9102 -138.0519      299.6351 76.82955 33.47031 62.80801 29.85844 14.02154       44.85296 
1 1 1 15  32 32 o 167.4049 21.87279 961.4656       209.6137 1291.828       310.5446 684.9819       284.0950 183.7838 29.83362 123.6389 36.59884 60.14491       47.21779 
1 1 1 15  33 0  o 230.0078 12.30475 1581.498       165.3798 0.000000       0.000000 1581.498       165.3798 ?        ?        230.0078 12.30475 0.000000       12.30475 
1 1 1 15  33 1  o 163.3221 14.68282 806.7808       139.1392 1440.016       399.9891 719.6080       148.4076 206.9347 34.14832 153.4608 16.76175 53.47392       38.04030 
1 1 1 15  33 2  o 72.01385 25.54481 147.9813       135.1926 0.000000       0.000000 147.9813       135.1926 ?        ?        72.01385 25.54481 0.000000       25.54481 
1 1 1 15  33 3  o 204.2253 11.61248 1245.508       138.5134 1606.068       401.8699 1196.899       147.5551 220.0774 32.07888 199.8498 12.65424 20.22760       34.48455 
1 1 1 15  33 4  o 151.6643 15.02611 698.3077       131.8984 283.6111       372.3734 757.8019       141.0428 102.4750 40.96526 157.9072 15.42648 -55.43225      43.77361 
1 1 1 15  33 5  o 49.20116 21.91749 -35.91457      127.8138 -662.9327      371.6301 48.20282       136.1174 60.20707 29.65838 59.14999 24.35008 1.057072       38.37377 
1 1 1 15  33 6  o 42.24570 19.86663 -121.1850      126.0733 -554.9337      372.4284 -65.04707      133.9836 63.00744 30.75656 47.99710 21.81365 15.01034       37.70678 
1 1 1 15  33 7  o 57.36047 23.68361 43.70083       129.2774 -443.6560      362.2717 114.8189       138.3888 64.93871 31.37871 67.38253 25.51461 -2.443825      40.44278 
1 1 1 15  33 8  o 41.83351 19.79535 -135.3374      128.7661 -555.7447      365.7834 -75.86937      137.5722 61.87167 30.26187 47.77079 21.86101 14.10088       37.33208 
1 1 1 15  33 9  o 82.00726 25.62977 217.4632       136.8033 -239.8232      369.3381 290.1777       147.2790 72.35071 34.01757 93.56280 25.93922 -21.21209      42.77895 
1 1 1 15  33 10 o 167.1380 16.90289 861.0577       163.4116 865.0461       367.0507 860.0718       182.4951 151.4698 40.52589 165.9518 19.09858 -14.48201      44.80071 
1 1 1 15  33 11 o 255.2690 25.59270 2118.732       377.9841 2118.732       377.9841 0.000000       0.000000 255.2690 25.59270 ?        ?        0.000000       25.59270 
1 1 1 15  33 12 o 169.0892 34.85637 1023.874       334.1658 1023.874       334.1658 0.000000       0.000000 169.0892 34.85637 ?        ?        0.000000       34.85637 
1 1 1 15  33 13 o 135.9723 38.41525 703.2434       319.7960 703.2434       319.7960 0.000000       0.000000 135.9723 38.41525 ?        ?        0.000000       38.41525 
1 1 1 15  33 14 o 235.6503 23.23386 1794.547       316.9272 1794.547       316.9272 0.000000       0.000000 235.6503 23.23386 ?        ?        0.000000       23.23386 
1 1 1 15  33 15 o 182.5746 28.28397 1134.480       293.0653 1134.480       293.0653 0.000000       0.000000 182.5746 28.28397 ?        ?        0.000000       28.28397 
1 1 1 15  33 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  33 17 o 260.2542 21.06552 2168.494       318.7833 2168.494       318.7833 0.000000       0.000000 260.2542 21.06552 ?        ?        0.000000       21.06552 
1 1 1 15  33 18 o 124.6795 36.42978 604.1422       283.0273 604.1422       283.0273 0.000000       0.000000 124.6795 36.42978 ?        ?        0.000000       36.42978 
1 1 1 15  33 19 o 82.50496 34.52765 174.6660       280.0971 174.6660       280.0971 0.000000       0.000000 82.50496 34.52765 ?        ?        0.000000       34.52765 
1 1 1 15  33 20 o 55.92678 27.02362 -294.1008      268.6606 -294.1008      268.6606 0.000000       0.000000 55.92678 27.02362 ?        ?        0.000000       27.02362 
1 1 1 15  33 21 o 167.8009 29.46851 1008.395       279.4276 1008.395       279.4276 0.000000       0.000000 167.8009 29.46851 ?        ?        0.000000       29.46851 
1 1 1 15  33 22 o 61.23656 28.80818 -143.5625      265.5378 -143.5625      265.5378 0.000000       0.000000 61.23656 28.80818 ?        ?        0.000000       28.80818 
1 1 1 15  33 23 o 55.51727 25.94104 -112.1244      209.1839 -11.99452      241.5077 -412.8830      418.5605 65.13396 29.47635 66.58147 32.52385 -1.447517      43.89369 
1 1 1 15  33 24 o 76.28382 30.71579 176.8225       210.9363 326.8154       240.9534 -315.1844      436.3987 91.91959 33.89355 69.98234 33.96376 21.93726       47.98239 
1 1 1 15  33 25 f 62.03602 27.93703 -2.589498      213.8670 83.39378       242.6721 -301.6467      452.5743 70.60581 30.87418 71.00887 34.49104 -0.4030609     46.29089 
1 1 1 15  33 26 o 85.37156 34.76117 265.1979       273.6116 265.1979       273.6116 0.000000       0.000000 85.37156 34.76117 ?        ?        0.000000       34.76117 
1 1 1 15  33 27 o 53.53807 25.43056 -154.4642      216.4644 -116.2531      253.1493 -258.3931      417.4932 59.71764 28.10435 68.94128 33.40221 -9.223640      43.65275 
1 1 1 15  33 28 o 77.26064 31.32816 198.8819       221.1564 201.7856       260.5442 191.3966       418.3227 79.07058 33.20929 84.25087 38.38885 -5.180290      50.75983 
1 1 1 15  33 29 o 77.11730 31.63589 197.6148       228.7234 101.4431       280.0549 390.2588       396.3669 72.94290 32.47156 93.25724 40.12036 -20.31434      51.61440 
1 1 1 15  33 30 o 64.54214 28.31480 62.69926       205.5891 313.6603       286.8318 -202.4468      294.8267 87.68118 35.63211 59.79626 28.74547 27.88491       45.78154 
1 1 1 15  34 0  o 344.3992 9.542031 3524.593       192.5461 4286.952       448.7267 3352.549       213.1681 371.0154 20.70454 335.2311 10.85677 35.78427       23.37835 
1 1 1 15  34 1  o 145.9635 16.89999 657.0782       142.0010 0.000000       0.000000 657.0782       142.0010 ?        ?        145.9635 16.89999 0.000000       16.89999 
1 1 1 15  34 2  o 211.4996 11.43422 1339.458       141.3021 2077.184       435.8712 1252.822       149.3688 249.3031 30.44188 204.0965 12.53937 45.20660       32.92331 
1 1 1 15  34 3  o 117.6566 18.95776 435.6172       126.3694 318.0834       353.6920 452.8164       135.2999 101.9054 40.18511 119.5674 20.00036 -17.66208      44.88717 
1 1 1 15  34 4  o 66.32057 24.29179 121.3023       123.4368 499.4612       368.8602 73.61312       130.9890 116.8036 42.10673 60.88141 24.31037 55.92216       48.62069 
1 1 1 15  34 5  f 136.0356 17.15996 573.9389       133.8649 1015.103       362.9158 504.4625       144.0205 166.7969 37.95628 126.1382 20.14564 40.65869       42.97122 
1 1 1 15  34 6  f 203.3322 12.44008 1245.296       147.6374 928.4817       356.9716 1310.669       162.1557 158.1196 38.79179 208.2068 13.35000 -50.08720      41.02469 
1 1 1 15  34 7  o 81.45541 25.19879 217.1431       132.6137 661.5193       352.4379 143.8498       143.1328 130.8464 41.17257 71.07365 26.13732 59.77274       48.76822 
1 1 1 15  34 8  o 102.7325 24.05958 350.0995       142.3965 -205.0112      364.6948 449.9512       154.6741 72.22897 33.91077 117.1543 23.33186 -44.92530      41.16208 
1 1 1 15  34 9  o 237.3177 11.59826 1692.428       160.9372 1299.268       356.6494 1792.955       180.3422 192.5572 32.75305 243.7205 12.66036 -51.16328      35.11477 
1 1 1 15  34 10 o 110.3875 21.31448 395.4961       132.9924 -266.4919      310.3657 544.3845       147.1903 63.53810 30.25729 130.7348 19.81772 -67.19667      36.16968 
1 1 1 15  34 11 o 73.33022 33.27209 -42.77859      310.1362 -42.77859      310.1362 0.000000       0.000000 73.33022 33.27209 ?        ?        0.000000       33.27209 
1 1 1 15  34 12 o 217.6026 25.68958 1569.551       321.5343 1569.551       321.5343 0.000000       0.000000 217.6026 25.68958 ?        ?        0.000000       25.68958 
1 1 1 15  34 13 o 166.1581 31.52901 977.5845       296.0069 977.5845       296.0069 0.000000       0.000000 166.1581 31.52901 ?        ?        0.000000       31.52901 
1 1 1 15  34 14 o 127.9812 37.52775 636.2973       299.8821 636.2973       299.8821 0.000000       0.000000 127.9812 37.52775 ?        ?        0.000000       37.52775 
1 1 1 15  34 15 o 104.7905 38.26074 418.3213       305.8524 418.3213       305.8524 0.000000       0.000000 104.7905 38.26074 ?        ?        0.000000       38.26074 
1 1 1 15  34 16 o 129.2473 38.42041 670.4286       312.5496 670.4286       312.5496 0.000000       0.000000 129.2473 38.42041 ?        ?        0.000000       38.42041 
1 1 1 15  34 17 o 238.9310 22.64909 1874.059       313.5863 1874.059       313.5863 0.000000       0.000000 238.9310 22.64909 ?        ?        0.000000       22.64909 
1 1 1 15  34 18 o 61.11181 29.14873 -223.6360      290.4376 -223.6360      290.4376 0.000000       0.000000 61.11181 29.14873 ?        ?        0.000000       29.14873 
1 1 1 15  34 19 o 137.0937 35.30564 738.5237       285.5782 738.5237       285.5782 0.000000       0.000000 137.0937 35.30564 ?        ?        0.000000       35.30564 
1 1 1 15  34 20 f 63.32008 29.52102 -105.7467      268.4648 -105.7467      268.4648 0.000000       0.000000 63.32008 29.52102 ?        ?        0.000000       29.52102 
1 1 1 15  34 21 o 56.91545 27.41087 -258.1313      270.9706 -258.1313      270.9706 0.000000       0.000000 56.91545 27.41087 ?        ?        0.000000       27.41087 
1 1 1 15  34 22 f 162.6243 27.87680 948.2375       256.3123 948.2375       256.3123 0.000000       0.000000 162.6243 27.87680 ?        ?        0.000000       27.87680 
1 1 1 15  34 23 o 78.04576 32.98159 170.0341       259.5270 170.0341       259.5270 0.000000       0.000000 78.04576 32.98159 ?        ?        0.000000       32.98159 
1 1 1 15  34 24 o 61.39112 27.89376 -17.54175      218.9086 -74.63365      254.6115 144.2881       428.6671 62.10629 28.88580 83.99129 38.49353 -21.88500      48.12630 
1 1 1 15  34 25 o 52.50220 25.18738 -199.6784      223.7380 -64.79572      257.6943 -612.7066      450.9377 62.71134 29.13073 63.02645 31.33281 -0.3151093     42.78253 
1 1 1 15  34 26 o 79.02116 32.03587 211.9634       231.2101 419.5764       271.6239 -334.1888      440.5523 98.45834 36.03931 68.19552 33.32413 30.26282       49.08492 
1 1 1 15  34 27 o 79.59244 33.71254 207.3303       272.1904 207.3303       272.1904 0.000000       0.000000 79.59244 33.71254 ?        ?        0.000000       33.71254 
1 1 1 15  34 28 f 80.69512 32.66228 236.7733       239.9027 252.2169       282.7115 197.0447       453.4417 82.92529 34.69492 84.63375 39.07843 -1.708458      52.25764 
1 1 1 15  34 29 o 89.46525 33.76433 333.5504       241.8841 647.6891       292.2147 -350.1766      431.1046 118.6735 37.50982 66.16064 32.46169 52.51290       49.60593 
1 1 1 15  35 0  o 111.5569 21.15201 402.5435       133.3252 764.4768       361.2459 345.4692       143.4528 139.4273 41.26968 101.7707 24.35922 37.65657       47.92242 
1 1 1 15  35 1  o 65.50558 25.48432 104.7045       140.6424 0.000000       0.000000 104.7045       140.6424 ?        ?        65.50558 25.48432 0.000000       25.48432 
1 1 1 15  35 2  o 144.1534 16.19918 643.1989       134.5847 695.0907       363.6099 634.9611       144.8740 132.3092 41.84477 142.5010 17.71638 -10.19185      45.44067 
1 1 1 15  35 3  o 54.83848 23.16183 28.93782       127.8796 -249.9182      353.4351 70.94270       137.1733 69.00023 32.69334 60.96313 24.68993 8.037102       40.96886 
1 1 1 15  35 4  o 75.53677 25.46791 181.7352       133.6742 262.0187       377.0447 170.1934       142.9604 96.55732 40.20762 74.33466 26.27788 22.22266       48.03311 
1 1 1 15  35 5  o 115.1558 21.42881 430.4329       139.3972 74.09381       354.7281 495.5100       151.5926 83.70750 36.94008 123.6035 21.70347 -39.89602      42.84402 
1 1 1 15  35 6  o 87.62048 24.83444 257.7476       133.4332 -50.44576      319.7127 322.7528       146.8326 73.88864 33.62588 97.66148 25.40010 -23.77283      42.14101 
1 1 1 15  35 7  o 71.27132 25.95898 150.8473       140.6688 -353.7336      321.1927 270.5984       156.4733 61.40502 29.64041 89.14083 27.33566 -27.73581      40.32111 
1 1 1 15  35 8  o 58.22796 24.27332 48.08878       137.6336 -179.9788      299.7342 109.0258       154.9334 65.40654 30.71874 67.24898 26.57234 -1.842438      40.61687 
1 1 1 15  35 9  o 104.6438 27.21536 378.8503       168.5728 361.4282       301.3095 386.7880       203.3810 100.3925 37.72849 103.9475 31.01522 -3.554985      48.84038 
1 1 1 15  35 10 o 162.2155 15.62544 814.2112       146.8164 602.5583       324.3042 868.7711       164.6557 122.9120 39.58935 166.7803 17.07452 -43.86827      43.11445 
1 1 1 15  35 11 o 120.0023 39.89398 578.5641       328.1405 578.5641       328.1405 0.000000       0.000000 120.0023 39.89398 ?        ?        0.000000       39.89398 
1 1 1 15  35 12 o 94.96547 37.62274 305.4437       311.3424 305.4437       311.3424 0.000000       0.000000 94.96547 37.62274 ?        ?        0.000000       37.62274 
1 1 1 15  35 13 o 75.29861 33.41200 45.14388       294.0994 45.14388       294.0994 0.000000       0.000000 75.29861 33.41200 ?        ?        0.000000       33.41200 
1 1 1 15  35 14 o 169.3619 30.77344 1028.430       294.4072 1028.430       294.4072 0.000000       0.000000 169.3619 30.77344 ?        ?        0.000000       30.77344 
1 1 1 15  35 15 o 106.4668 36.70322 450.2355       277.8903 450.2355       277.8903 0.000000       0.000000 106.4668 36.70322 ?        ?        0.000000       36.70322 
1 1 1 15  35 16 o 90.91503 36.63522 286.9136       300.3226 286.9136       300.3226 0.000000       0.000000 90.91503 36.63522 ?        ?        0.000000       36.63522 
1 1 1 15  35 17 o 88.22639 35.32522 266.0524       277.3448 266.0524       277.3448 0.000000       0.000000 88.22639 35.32522 ?        ?        0.000000       35.32522 
1 1 1 15  35 18 o 88.36063 36.01126 266.6636       293.9677 266.6636       293.9677 0.000000       0.000000 88.36063 36.01126 ?        ?        0.000000       36.01126 
1 1 1 15  35 19 o 84.77752 35.08640 230.4529       284.6400 230.4529       284.6400 0.000000       0.000000 84.77752 35.08640 ?        ?        0.000000       35.08640 
1 1 1 15  35 20 o 110.8759 36.95298 521.9268       281.5056 521.9268       281.5056 0.000000       0.000000 110.8759 36.95298 ?        ?        0.000000       36.95298 
1 1 1 15  35 21 o 51.02054 25.17371 -425.7447      271.4397 -425.7447      271.4397 0.000000       0.000000 51.02054 25.17371 ?        ?        0.000000       25.17371 
1 1 1 15  35 22 o 59.77098 27.99906 -104.0869      246.2566 -104.0869      246.2566 0.000000       0.000000 59.77098 27.99906 ?        ?        0.000000       27.99906 
1 1 1 15  35 23 o 77.85165 33.55757 165.3498       278.3324 165.3498       278.3324 0.000000       0.000000 77.85165 33.55757 ?        ?        0.000000       33.55757 
1 1 1 15  35 24 o 82.84410 32.61612 252.3387       232.6703 367.9618       267.4969 -106.9967      471.5703 93.72165 35.47640 76.33225 36.60567 17.38940       50.97598 
1 1 1 15  35 25 o 79.92492 32.31940 225.4499       234.6370 180.7474       270.8246 359.9979       469.8517 77.76395 33.30402 92.36955 41.51883 -14.60561      53.22566 
1 1 1 15  35 26 o 64.01052 28.87820 21.46103       229.7040 -113.8530      268.5179 390.6685       443.5443 60.76178 28.70216 92.97304 41.15476 -32.21126      50.17498 
1 1 1 15  35 27 o 66.71669 30.57082 8.659128       270.2010 8.659128       270.2010 0.000000       0.000000 66.71669 30.57082 ?        ?        0.000000       30.57082 
1 1 1 15  35 28 o 62.45732 28.58843 -6.443983      235.4507 41.18050       290.6677 -97.32513      401.5305 69.52197 31.80031 71.00040 33.97634 -1.478432      46.53655 
1 1 1 15  36 0  o 103.1736 22.20595 352.0191       130.3826 245.0680       371.8614 367.0101       139.2207 93.77319 39.54591 104.8802 23.24509 -11.10700      45.87171 
1 1 1 15  36 1  o 64.65765 25.14303 105.2186       136.8519 0.000000       0.000000 105.2186       136.8519 ?        ?        64.65765 25.14303 0.000000       25.14303 
1 1 1 15  36 2  o 136.2437 17.60181 584.3853       137.3616 722.4697       363.1646 561.3328       148.3853 132.4413 41.81048 132.3791 19.71304 0.6217957E-01  46.22467 
1 1 1 15  36 3  o 50.66233 22.41362 -16.71927      131.3852 488.0947       346.0678 -101.7345      142.0182 111.3128 40.68964 46.14396 21.49921 65.16882       46.02024 
1 1 1 15  36 4  o 45.01344 20.68605 -69.31258      124.9470 -344.4328      321.2563 -20.27823      135.6253 61.32552 29.61222 51.10841 22.68323 10.21710       37.30164 
1 1 1 15  36 5  o 85.03015 25.41230 245.2579       136.4505 174.3302       327.6314 260.1421       150.0863 86.54448 36.83476 87.17207 26.77937 -0.6275940     45.54047 
1 1 1 15  36 6  o 57.54026 24.55829 30.62059       146.3504 -51.64696      338.6161 49.51801       162.2911 74.70193 34.22724 61.63823 26.06617 13.06369       43.02266 
1 1 1 15  36 7  o 49.66440 22.52699 -51.25404      142.0282 43.41590       352.1323 -69.64730      155.2134 80.40582 36.05809 50.68626 23.20467 29.71955       42.87939 
1 1 1 15  36 8  o 54.53629 23.66540 10.28890       140.2827 -399.0183      337.2169 95.94597       154.2646 61.07439 29.69012 65.25427 26.27005 -4.179878      39.64365 
1 1 1 15  36 9  o 68.96301 26.54963 131.3423       151.4597 -19.96681      347.4330 166.8445       168.2931 76.41721 34.88306 74.55784 28.15794 1.859367       44.82965 
1 1 1 15  36 10 o 162.0076 14.14869 808.0517       133.0843 808.8979       320.7328 807.8757       146.2706 142.8630 37.72761 161.1339 15.67608 -18.27095      40.85477 
1 1 1 15  36 11 o 101.6154 38.20927 400.9099       309.1309 400.9099       309.1309 0.000000       0.000000 101.6154 38.20927 ?        ?        0.000000       38.20927 
1 1 1 15  36 12 o 142.0453 36.55360 798.6024       306.2794 798.6024       306.2794 0.000000       0.000000 142.0453 36.55360 ?        ?        0.000000       36.55360 
1 1 1 15  36 13 o 159.9607 36.42629 1007.245       334.0496 1007.245       334.0496 0.000000       0.000000 159.9607 36.42629 ?        ?        0.000000       36.42629 
1 1 1 15  36 14 o 81.18391 35.82823 124.2584       333.7356 124.2584       333.7356 0.000000       0.000000 81.18391 35.82823 ?        ?        0.000000       35.82823 
1 1 1 15  36 15 o 66.07818 30.80978 -100.0514      292.5262 -100.0514      292.5262 0.000000       0.000000 66.07818 30.80978 ?        ?        0.000000       30.80978 
1 1 1 15  36 16 o 205.1700 24.57168 1435.726       289.7910 1435.726       289.7910 0.000000       0.000000 205.1700 24.57168 ?        ?        0.000000       24.57168 
1 1 1 15  36 17 o 59.29890 28.29581 -202.2979      274.2852 -202.2979      274.2852 0.000000       0.000000 59.29890 28.29581 ?        ?        0.000000       28.29581 
1 1 1 15  36 18 o 64.95013 30.18262 -73.42619      277.0625 -73.42619      277.0625 0.000000       0.000000 64.95013 30.18262 ?        ?        0.000000       30.18262 
1 1 1 15  36 19 o 122.6141 36.82298 642.0497       285.9770 642.0497       285.9770 0.000000       0.000000 122.6141 36.82298 ?        ?        0.000000       36.82298 
1 1 1 15  36 20 f 68.19749 30.89463 19.55192       266.1281 19.55192       266.1281 0.000000       0.000000 68.19749 30.89463 ?        ?        0.000000       30.89463 
1 1 1 15  36 21 o 104.1872 36.98287 479.2993       283.4096 479.2993       283.4096 0.000000       0.000000 104.1872 36.98287 ?        ?        0.000000       36.98287 
1 1 1 15  36 22 o 93.94450 35.24600 369.9415       262.7262 369.9415       262.7262 0.000000       0.000000 93.94450 35.24600 ?        ?        0.000000       35.24600 
1 1 1 15  36 23 o 89.54327 36.16958 330.2226       293.5153 330.2226       293.5153 0.000000       0.000000 89.54327 36.16958 ?        ?        0.000000       36.16958 
1 1 1 15  36 24 o 73.95252 32.59811 126.1277       275.4980 126.1277       275.4980 0.000000       0.000000 73.95252 32.59811 ?        ?        0.000000       32.59811 
1 1 1 15  36 25 o 73.47109 31.41629 150.3000       240.3067 303.7560       290.0009 -185.9647      429.2874 86.64500 35.59201 70.41848 34.05848 16.22652       49.26227 
1 1 1 15  36 26 o 54.75739 26.16875 -166.6157      236.5022 -51.04094      286.1003 -416.0160      420.2768 64.84617 30.31238 63.69097 31.40616 1.155197       43.64845 
1 1 1 15  37 0  o 181.7225 13.51540 1010.815       143.0103 993.2128       344.9662 1014.468       157.1507 159.6219 37.49197 181.2326 14.91722 -21.61073      40.35061 
1 1 1 15  37 1  o 61.69338 24.31921 91.62924       129.4952 -65.25453      334.0346 119.3772       140.4810 72.97897 33.64100 66.38506 25.56613 6.593910       42.25333 
1 1 1 15  37 2  o 58.38491 23.81431 65.47285       128.6860 335.5256       329.4723 16.85884       139.7897 96.98083 38.61143 54.92461 23.72896 42.05622       45.32005 
1 1 1 15  37 3  o 53.34010 22.77439 24.01235       125.9470 379.3235       311.3428 -45.50858      137.7184 100.1995 38.19258 49.12428 22.24231 51.07526       44.19721 
1 1 1 15  37 4  o 137.8572 16.79854 598.4186       133.0152 827.7057       314.6623 548.5316       146.7740 145.3795 36.86007 130.2018 19.84797 15.17767       41.86414 
1 1 1 15  37 5  o 97.87922 25.10293 331.0391       144.7814 419.7168       343.9026 311.9365       159.6156 103.3021 39.94336 94.01785 27.32554 9.284248       48.39584 
1 1 1 15  37 6  o 61.04827 25.50772 62.17421       152.5055 409.9154       354.9569 -16.54896      168.8880 102.2684 40.27885 56.43555 25.16373 45.83288       47.49314 
1 1 1 15  37 7  o 53.48525 23.38218 4.994355       139.1140 67.73897       359.4511 -6.059380      150.8711 80.64775 36.27701 54.41689 24.04910 26.23087       43.52449 
1 1 1 15  37 8  o 139.9907 19.55987 634.5777       156.2112 619.5743       347.5962 638.3747       174.8642 119.3685 41.05328 138.5681 22.27180 -19.19959      46.70551 
1 1 1 15  37 9  f 57.37395 26.44865 -78.53674      206.5018 441.6895       359.6900 -334.3078      252.2074 103.3606 40.59578 52.20123 25.44384 51.15936       47.91040 
1 1 1 15  37 10 o 246.1192 10.82140 1830.312       155.8176 1191.347       355.4920 1982.262       173.3576 174.6951 35.89867 255.5950 11.59505 -80.89990      37.72479 
1 1 1 15  37 11 o 108.9547 40.25750 514.0565       340.2328 514.0565       340.2328 0.000000       0.000000 108.9547 40.25750 ?        ?        0.000000       40.25750 
1 1 1 15  37 12 o 134.0821 39.66011 773.3136       333.7113 773.3136       333.7113 0.000000       0.000000 134.0821 39.66011 ?        ?        0.000000       39.66011 
1 1 1 15  37 13 o 113.0248 40.41880 569.7245       339.1201 569.7245       339.1201 0.000000       0.000000 113.0248 40.41880 ?        ?        0.000000       40.41880 
1 1 1 15  37 14 o 225.8341 29.60621 1851.521       382.6895 1851.521       382.6895 0.000000       0.000000 225.8341 29.60621 ?        ?        0.000000       29.60621 
1 1 1 15  37 15 o 175.9014 36.00964 1240.062       358.9639 1240.062       358.9639 0.000000       0.000000 175.9014 36.00964 ?        ?        0.000000       36.00964 
1 1 1 15  37 16 o 165.1837 34.18410 1075.573       320.2395 1075.573       320.2395 0.000000       0.000000 165.1837 34.18410 ?        ?        0.000000       34.18410 
1 1 1 15  37 17 o 69.22478 31.69992 -1.265803      289.9123 -1.265803      289.9123 0.000000       0.000000 69.22478 31.69992 ?        ?        0.000000       31.69992 
1 1 1 15  37 18 o 173.3511 28.16674 1097.959       276.5399 1097.959       276.5399 0.000000       0.000000 173.3511 28.16674 ?        ?        0.000000       28.16674 
1 1 1 15  37 19 o 129.9084 35.08666 705.6668       273.5576 705.6668       273.5576 0.000000       0.000000 129.9084 35.08666 ?        ?        0.000000       35.08666 
1 1 1 15  37 20 o 114.5840 35.12900 560.7888       258.4328 560.7888       258.4328 0.000000       0.000000 114.5840 35.12900 ?        ?        0.000000       35.12900 
1 1 1 15  37 21 o 90.85629 35.55260 346.0916       275.0100 346.0916       275.0100 0.000000       0.000000 90.85629 35.55260 ?        ?        0.000000       35.55260 
1 1 1 15  37 22 o 66.36549 30.68121 -15.43942      280.7680 -15.43942      280.7680 0.000000       0.000000 66.36549 30.68121 ?        ?        0.000000       30.68121 
1 1 1 15  37 23 f 119.4232 38.76566 676.9272       310.5777 676.9272       310.5777 0.000000       0.000000 119.4232 38.76566 ?        ?        0.000000       38.76566 
1 1 1 15  37 24 o 110.9434 37.69619 578.0665       292.8850 578.0665       292.8850 0.000000       0.000000 110.9434 37.69619 ?        ?        0.000000       37.69619 
1 1 1 15  37 25 o 81.56853 34.65577 247.6005       289.1333 247.6005       289.1333 0.000000       0.000000 81.56853 34.65577 ?        ?        0.000000       34.65577 
1 1 1 15  38 0  o 127.9661 19.00830 530.6758       138.3281 306.2894       312.7456 585.2491       154.2350 92.24934 37.30944 133.6211 20.32086 -41.37179      42.48448 
1 1 1 15  38 1  o 61.10813 24.40970 89.12741       132.1094 717.3210       313.0548 -46.98365      145.7204 131.0712 38.31810 50.04955 22.74745 81.02164       44.56145 
1 1 1 15  38 2  o 181.1574 13.66613 1011.368       144.1245 1251.227       321.3089 950.9521       161.2571 185.4085 30.61667 174.1132 15.96968 11.29527       34.53131 
1 1 1 15  38 3  o 99.57536 23.93784 342.6367       138.0619 450.0603       317.1149 317.5128       153.3592 104.0432 38.78593 94.36180 26.58276 9.681435       47.02118 
1 1 1 15  38 4  o 44.93343 21.03017 -100.3792      138.4180 66.94559       319.5984 -139.0117      153.5680 76.79259 34.40142 45.40453 21.52421 31.38807       40.58016 
1 1 1 15  38 5  o 107.9233 24.18337 402.6844       149.2665 759.9451       329.3557 310.3360       167.4508 133.3416 39.38997 92.42236 28.26624 40.91922       48.48247 
1 1 1 15  38 6  o 102.3573 26.18205 372.4384       157.7843 454.1645       340.8712 350.1525       178.0022 103.5766 39.84142 97.52654 28.99532 6.050095       49.27542 
1 1 1 15  38 7  o 57.78036 24.86420 34.58273       152.3107 -123.5602      332.1851 76.67973       171.3882 68.62206 32.26346 64.07101 26.92357 4.551048       42.02154 
1 1 1 15  38 8  o 65.58307 26.40272 108.1020       155.8286 -93.76810      354.5547 156.4318       173.4821 71.61324 33.56244 72.36313 28.26030 -0.7498856     43.87576 
1 1 1 15  38 9  o 87.50177 27.18133 275.6938       154.1203 374.7164       348.2759 251.5804       171.8641 96.72378 39.27954 83.78185 28.86501 12.94193       48.74496 
1 1 1 15  38 10 o 85.98522 30.41372 270.3677       191.5244 93.56409       351.2427 345.1796       228.4795 79.40306 35.77630 94.30856 33.23095 -14.90550      48.82868 
1 1 1 15  38 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  38 12 o 98.69825 40.88971 421.5827       387.1347 421.5827       387.1347 0.000000       0.000000 98.69825 40.88971 ?        ?        0.000000       40.88971 
1 1 1 15  38 13 o 112.2359 42.51612 617.2953       384.3591 617.2953       384.3591 0.000000       0.000000 112.2359 42.51612 ?        ?        0.000000       42.51612 
1 1 1 15  38 14 o 80.10345 35.75277 142.3301       341.8277 142.3301       341.8277 0.000000       0.000000 80.10345 35.75277 ?        ?        0.000000       35.75277 
1 1 1 15  38 15 o 65.90081 31.46975 -172.6113      340.6154 -172.6113      340.6154 0.000000       0.000000 65.90081 31.46975 ?        ?        0.000000       31.46975 
1 1 1 15  38 16 o 97.78683 38.70360 430.0261       329.1968 430.0261       329.1968 0.000000       0.000000 97.78683 38.70360 ?        ?        0.000000       38.70360 
1 1 1 15  38 17 o 89.70289 36.37802 326.7737       298.2446 326.7737       298.2446 0.000000       0.000000 89.70289 36.37802 ?        ?        0.000000       36.37802 
1 1 1 15  38 18 f 83.43800 34.41230 254.2599       272.5235 254.2599       272.5235 0.000000       0.000000 83.43800 34.41230 ?        ?        0.000000       34.41230 
1 1 1 15  38 19 o 54.94831 26.80692 -307.1635      281.7408 -307.1635      281.7408 0.000000       0.000000 54.94831 26.80692 ?        ?        0.000000       26.80692 
1 1 1 15  38 20 o 68.82693 31.11018 52.09899       268.0665 52.09899       268.0665 0.000000       0.000000 68.82693 31.11018 ?        ?        0.000000       31.11018 
1 1 1 15  38 21 o 54.04175 26.44208 -321.5144      280.0470 -321.5144      280.0470 0.000000       0.000000 54.04175 26.44208 ?        ?        0.000000       26.44208 
1 1 1 15  38 22 o 68.56030 31.38529 30.11022       283.8740 30.11022       283.8740 0.000000       0.000000 68.56030 31.38529 ?        ?        0.000000       31.38529 
1 1 1 15  38 23 o 62.94096 29.76816 -94.22498      290.4973 -94.22498      290.4973 0.000000       0.000000 62.94096 29.76816 ?        ?        0.000000       29.76816 
1 1 1 15  39 0  o 43.02613 20.38627 -124.8292      137.4201 -234.1729      306.6419 -97.35062      153.7204 61.45359 29.48308 47.68590 22.26725 13.76770       36.94703 
1 1 1 15  39 1  o 69.61240 26.01944 152.1892       142.9016 122.0937       313.0694 160.1099       160.6092 78.57059 34.68692 71.67159 27.40372 6.899002       44.20572 
1 1 1 15  39 2  o 59.49608 24.84205 65.25433       144.5015 140.2471       300.5050 42.69825       164.8063 78.88532 34.42844 59.88061 25.81687 19.00471       43.03288 
1 1 1 15  39 3  o 55.68543 24.03194 28.99755       143.0811 731.7192       337.4365 -125.0454      157.9870 127.7037 40.30061 46.73901 22.05936 80.96468       45.94295 
1 1 1 15  39 4  o 174.7082 15.78881 961.4889       160.0314 1157.978       342.1539 906.4688       181.0560 170.8395 35.31693 167.2683 18.78050 3.571167       39.99990 
1 1 1 15  39 5  o 45.21787 21.54652 -151.4294      157.8909 -227.2800      330.2820 -128.9604      179.7619 63.85542 30.62566 50.03740 23.58995 13.81802       38.65769 
1 1 1 15  39 6  f 107.0310 27.22372 417.5211       171.2594 629.7014       323.3242 334.7754       201.9103 118.3830 39.60575 93.41309 31.29883 24.96996       50.48003 
1 1 1 15  39 7  o 46.98090 22.21457 -129.7574      161.5972 -206.2346      353.2947 -109.5240      181.7209 66.47028 31.82510 51.33532 24.04894 15.13496       39.88970 
1 1 1 15  39 8  o 46.79233 21.96952 -106.8997      153.1019 -112.9520      347.0200 -105.4370      170.6035 69.13385 32.64850 49.76856 23.31069 19.36529       40.11624 
1 1 1 15  39 9  o 94.02631 25.51790 318.7406       144.2807 196.8606       319.8154 349.8849       161.6673 82.40003 35.74459 97.38701 27.24298 -14.98698      44.94281 
1 1 1 15  39 10 o 124.7236 25.84705 556.5026       182.8468 651.2857       340.8957 518.2205       216.6478 117.3405 40.64228 115.1194 31.28056 2.221046       51.28614 
1 1 1 15  39 11 o 97.65867 39.65987 425.5127       355.0602 425.5127       355.0602 0.000000       0.000000 97.65867 39.65987 ?        ?        0.000000       39.65987 
1 1 1 15  39 12 o 142.5901 40.51160 934.9456       354.6421 934.9456       354.6421 0.000000       0.000000 142.5901 40.51160 ?        ?        0.000000       40.51160 
1 1 1 15  39 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 15  39 14 o 70.18818 33.13430 -74.08801      356.8226 -74.08801      356.8226 0.000000       0.000000 70.18818 33.13430 ?        ?        0.000000       33.13430 
1 1 1 15  39 15 o 106.0417 39.65012 541.5441       331.9019 541.5441       331.9019 0.000000       0.000000 106.0417 39.65012 ?        ?        0.000000       39.65012 
1 1 1 15  39 16 o 175.5061 33.72453 1240.973       334.5167 1240.973       334.5167 0.000000       0.000000 175.5061 33.72453 ?        ?        0.000000       33.72453 
1 1 1 15  39 17 o 150.1587 35.06354 946.7969       303.1583 946.7969       303.1583 0.000000       0.000000 150.1587 35.06354 ?        ?        0.000000       35.06354 
1 1 1 15  39 18 o 124.1407 36.78058 693.9115       286.8184 693.9115       286.8184 0.000000       0.000000 124.1407 36.78058 ?        ?        0.000000       36.78058 
1 1 1 15  39 19 o 71.35339 31.98120 90.87810       276.5975 90.87810       276.5975 0.000000       0.000000 71.35339 31.98120 ?        ?        0.000000       31.98120 
1 1 1 15  39 20 f 113.0437 38.01074 608.2021       297.7716 608.2021       297.7716 0.000000       0.000000 113.0437 38.01074 ?        ?        0.000000       38.01074 
1 1 1 15  39 21 o 96.19767 36.43307 430.7625       282.2070 430.7625       282.2070 0.000000       0.000000 96.19767 36.43307 ?        ?        0.000000       36.43307 
1 1 1 15  40 0  o 100.1801 25.25870 361.2643       148.3451 493.3555       334.0905 328.8256       165.5612 103.4803 39.53398 93.66175 27.99216 9.818542       48.44065 
1 1 1 15  40 1  o 64.00035 26.24606 100.1736       157.3592 301.3841       341.0316 45.74578       177.3699 89.20444 37.75757 61.06046 26.55242 28.14398       46.15913 
1 1 1 15  40 2  o 119.9361 23.42718 500.1426       158.8733 723.4001       376.1606 451.6704       175.2736 120.3781 42.61886 110.7626 27.18705 9.615593       50.55198 
1 1 1 15  40 3  o 86.32888 27.52152 275.9812       157.0223 0.3542334      351.0359 344.9255       175.5658 73.48655 34.08916 95.23126 28.90686 -21.74471      44.69538 
1 1 1 15  40 4  o 67.18539 26.85622 128.3038       160.0327 -8.417862      335.6839 168.5171       182.0526 71.98498 33.37283 72.95281 28.81104 -0.9678345     44.08879 
1 1 1 15  40 5  o 64.27491 26.42758 101.4633       160.0796 -362.4392      313.7397 264.7402       186.1309 57.11044 27.95284 84.01800 29.95568 -26.90755      40.97199 
1 1 1 15  40 6  o 89.51493 29.29963 305.8979       177.2321 362.0073       338.8737 284.7713       207.9382 92.83852 38.33966 86.15295 31.53299 6.685570       49.64130 
1 1 1 15  40 7  f 85.17349 28.06771 271.0680       162.5311 468.1740       341.1791 213.2059       184.8543 100.4913 39.51666 77.77344 29.47952 22.71783       49.30120 
1 1 1 15  40 8  o 54.48375 23.84260 20.10127       144.9657 -175.7550      338.5630 64.07021       160.4146 65.16672 31.18849 60.45084 25.75311 4.715874       40.44681 
1 1 1 15  40 9  o 156.9705 17.41389 797.8570       157.6174 427.3851       389.8288 870.2570       172.3319 96.07848 40.50254 163.1979 18.32132 -67.11944      44.45364 
1 1 1 15  40 10 o 102.8580 41.68848 535.6416       391.4117 535.6416       391.4117 0.000000       0.000000 102.8580 41.68848 ?        ?        0.000000       41.68848 
1 1 1 15  40 11 f 119.4201 41.09130 707.5633       348.2540 707.5633       348.2540 0.000000       0.000000 119.4201 41.09130 ?        ?        0.000000       41.09130 
1 1 1 15  40 12 o 103.4564 40.53083 531.6649       357.7701 531.6649       357.7701 0.000000       0.000000 103.4564 40.53083 ?        ?        0.000000       40.53083 
1 1 1 15  40 13 o 130.9922 40.80675 834.2125       347.0918 834.2125       347.0918 0.000000       0.000000 130.9922 40.80675 ?        ?        0.000000       40.80675 
1 1 1 15  40 14 o 109.2323 40.44399 604.9683       343.7080 604.9683       343.7080 0.000000       0.000000 109.2323 40.44399 ?        ?        0.000000       40.44399 
1 1 1 15  40 15 o 92.55624 38.17114 394.5325       335.2893 394.5325       335.2893 0.000000       0.000000 92.55624 38.17114 ?        ?        0.000000       38.17114 
1 1 1 15  40 16 o 93.84483 37.04374 404.0762       300.8268 404.0762       300.8268 0.000000       0.000000 93.84483 37.04374 ?        ?        0.000000       37.04374 
1 1 1 15  40 17 o 84.87162 36.19374 285.6355       317.4190 285.6355       317.4190 0.000000       0.000000 84.87162 36.19374 ?        ?        0.000000       36.19374 
1 1 1 15  40 18 o 65.62709 30.89702 -61.24195      306.4680 -61.24195      306.4680 0.000000       0.000000 65.62709 30.89702 ?        ?        0.000000       30.89702 
1 1 1 15  40 19 f 67.61783 31.31568 11.04576       294.4269 11.04576       294.4269 0.000000       0.000000 67.61783 31.31568 ?        ?        0.000000       31.31568 
1 1 1 15  41 0  o 59.63642 25.67755 55.49577       162.6158 -247.7513      356.0597 135.4187       182.7933 63.76528 30.88312 68.92324 28.27885 -5.157959      41.87434 
1 1 1 15  41 1  o 87.25286 28.47553 291.5251       167.4603 362.6145       371.9655 273.4537       187.5411 91.46503 39.09774 84.25162 30.06567 7.213417       49.32117 
1 1 1 15  41 2  o 71.34572 27.38781 169.5845       160.8510 352.5778       358.1511 123.3478       180.0288 90.79481 38.57311 67.56016 27.92685 23.23465       47.62136 
1 1 1 15  41 3  o 74.48801 27.49353 195.7268       158.6156 301.6492       361.0920 170.4020       176.5619 87.71687 38.01645 72.14723 28.41016 15.56963       47.45933 
1 1 1 15  41 4  o 195.1823 15.14173 1205.454       171.9724 1452.663       370.9306 1137.769       194.0927 188.2874 34.87487 186.9060 17.92610 1.381409       39.21227 
1 1 1 15  41 5  o 68.78007 27.73534 141.1082       172.2637 270.9797       360.0080 102.5425       196.1805 85.90350 37.58310 66.92902 28.49521 18.97448       47.16425 
1 1 1 15  41 6  o 82.23768 29.79813 257.1889       185.0259 229.2134       352.5287 267.8253       217.3726 83.32440 36.79584 83.36213 31.87888 -0.3772736E-01 48.68466 
1 1 1 15  41 7  o 55.74858 24.82006 8.182009       163.6697 -155.0686      343.0159 56.30591       186.2375 65.66593 31.41811 62.16705 27.11824 3.498882       41.50297 
1 1 1 15  41 8  o 70.84317 26.21558 171.6193       144.3752 376.7652       378.8367 136.7616       156.1600 91.95899 39.38646 67.15270 26.63194 24.80629       47.54528 
1 1 1 15  41 9  o 121.0527 29.68193 570.8232       209.0818 705.3671       392.4481 517.4996       247.0644 113.6850 42.98470 109.2823 34.48386 4.402679       55.10736 
1 1 1 15  41 10 o 108.2125 27.66133 445.8450       176.1987 269.8448       376.9113 495.0640       199.3190 85.32995 37.84599 112.0112 29.81645 -26.68127      48.18029 
1 1 1 15  41 11 o 67.77995 32.08460 -73.35887      338.8520 -73.35887      338.8520 0.000000       0.000000 67.77995 32.08460 ?        ?        0.000000       32.08460 
1 1 1 15  41 12 o 130.8195 39.29984 818.3513       325.7041 818.3513       325.7041 0.000000       0.000000 130.8195 39.29984 ?        ?        0.000000       39.29984 
1 1 1 15  41 13 o 132.4343 41.49533 888.5500       358.3614 888.5500       358.3614 0.000000       0.000000 132.4343 41.49533 ?        ?        0.000000       41.49533 
1 1 1 15  41 14 o 70.76301 32.78911 28.75868       323.4050 28.75868       323.4050 0.000000       0.000000 70.76301 32.78911 ?        ?        0.000000       32.78911 
1 1 1 15  41 15 o 70.09870 31.95984 60.10861       290.5032 60.10861       290.5032 0.000000       0.000000 70.09870 31.95984 ?        ?        0.000000       31.95984 
1 1 1 15  41 16 o 85.97780 33.88440 313.1694       251.3435 313.1694       251.3435 0.000000       0.000000 85.97780 33.88440 ?        ?        0.000000       33.88440 
1 1 1 15  42 0  o 57.26531 25.19793 30.59529       163.9371 62.64881       400.8755 24.15818       179.6458 76.48406 35.79432 58.59252 26.04970 17.89154       44.26986 
1 1 1 15  42 1  o 77.91682 28.26234 226.4840       166.5030 188.4596       368.1155 236.2641       186.6919 80.63381 36.45076 79.13528 29.70676 1.498528       47.02286 
1 1 1 15  42 2  o 53.27868 24.15481 -19.61818      163.0590 -294.7979      367.0107 48.05954       182.0092 62.57851 30.54388 60.67812 26.62995 1.900394       40.52262 
1 1 1 15  42 3  o 56.89505 25.05344 28.72231       162.3396 -159.1171      365.1761 74.98750       181.2325 66.50942 31.97755 62.77530 27.06895 3.734127       41.89620 
1 1 1 15  42 4  o 68.73063 28.38973 137.9079       185.8603 -348.1083      385.6912 284.9041       212.1131 62.50970 30.67727 84.31419 31.66184 -21.80449      44.08590 
1 1 1 15  42 5  f 83.98697 29.67846 277.5956       182.3407 707.2615       399.2356 164.3446       204.9675 111.6969 43.07758 72.18133 29.81403 39.51559       52.38849 
1 1 1 15  42 6  o 46.95692 22.57432 -175.3005      181.8746 -295.4178      394.2558 -142.8283      204.9895 64.36790 31.46890 51.69282 24.60902 12.67509       39.94866 
1 1 1 15  42 7  o 57.48331 24.44484 60.80040       144.0780 -504.4762      423.9549 134.6104       153.1958 61.50230 30.54229 66.16306 26.33302 -4.660755      40.32690 
1 1 1 15  42 8  o 53.00219 23.36060 16.44159       141.4445 -212.4185      423.9232 45.11143       150.0427 68.43626 33.27354 56.68881 24.53751 11.74744       41.34269 
1 1 1 15  42 9  o 77.00094 29.78984 219.7794       191.3629 402.9366       428.1593 174.0592       213.9180 91.32674 40.42994 73.26479 30.37790 18.06194       50.57071 
1 1 1 15  42 10 o 71.55476 27.13428 179.1971       156.6532 69.39007       430.6530 195.9424       168.1742 77.38940 36.49340 73.86854 28.09036 3.520859       46.05254 
1 1 1 15  42 11 o 86.45438 38.87920 305.8491       412.5771 305.8491       412.5771 0.000000       0.000000 86.45438 38.87920 ?        ?        0.000000       38.87920 
1 1 1 15  42 12 o 69.25925 33.22377 -103.2381      389.1159 -103.2381      389.1159 0.000000       0.000000 69.25925 33.22377 ?        ?        0.000000       33.22377 
1 1 1 15  42 13 o 75.27235 35.06435 88.24827       377.5051 88.24827       377.5051 0.000000       0.000000 75.27235 35.06435 ?        ?        0.000000       35.06435 
1 1 1 15  43 0  o 81.48801 33.59616 263.5951       259.6278 505.4750       446.6016 140.1211       319.0863 95.25480 41.76209 75.24089 33.98195 20.01391       53.84093 
1 1 1 15  43 1  o 73.48579 28.82335 192.5004       181.1155 827.6771       474.9989 84.44380       195.9164 111.8989 45.71079 64.33503 27.94190 47.56387       53.57450 
1 1 1 15  43 2  o 103.9964 28.65578 427.7755       180.3569 497.2517       465.3027 415.4915       195.6525 94.63809 42.00815 100.4299 30.52208 -5.791771      51.92574 
1 1 1 15  43 3  o 62.79944 26.89847 85.13671       176.7048 466.6697       439.9282 11.73978       192.9544 93.62303 41.23389 58.75567 26.49111 34.86736       49.01033 
1 1 1 15  43 4  o 41.60791 20.71194 -388.4646      199.6669 -147.3886      432.9905 -453.5732      225.0198 70.30289 34.05111 43.27211 21.61061 27.03078       40.32985 
1 1 1 15  43 5  o 77.79388 27.67146 229.4442       158.7383 915.6799       439.0512 126.2523       170.2556 121.6699 45.58093 66.14842 27.23220 55.52144       53.09628 
1 1 1 15  43 6  o 75.20654 28.09982 209.5269       166.6349 -139.9204      451.2338 264.7073       179.3093 71.39557 34.62304 81.91100 29.37901 -10.51543      45.40794 
1 1 1 15  43 7  o 43.07163 20.38180 -105.5029      136.5271 -240.5337      472.0811 -93.17841      142.6216 69.77899 34.18172 44.89063 21.11664 24.88836       40.17839 
1 1 1 15  43 8  o 94.53162 31.08899 375.4944       199.4418 1123.247       481.2735 220.4575       219.1445 130.3414 47.92867 76.97723 31.19551 53.36420       57.18669 
1 1 1 15  43 9  o 52.14645 24.32738 -70.43470      182.7865 28.17543       467.0832 -88.26717      198.6274 76.25311 36.53143 53.17809 24.98533 23.07502       44.25847 
1 1 1 16  0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0  1  o 230.8545 34.30106 1671.722       434.2847 1671.722       434.2847 1671.722       434.2847 230.8545 34.30106 230.8545 34.30106 0.000000       0.000000 
1 1 1 16  0  2  o 871.8046 30.62180 22484.88       1561.285 22484.88       1561.285 22484.88       1561.285 871.8046 30.62180 871.8046 30.62180 0.000000       0.000000 
1 1 1 16  0  3  o 627.6832 25.10353 11649.06       920.7492 11649.06       920.7492 11649.06       920.7492 627.6832 25.10353 627.6832 25.10353 0.000000       0.000000 
1 1 1 16  0  4  o 1215.982 40.40790 43903.52       2874.451 43903.52       2874.451 43903.52       2874.451 1215.982 40.40790 1215.982 40.40790 0.000000       0.000000 
1 1 1 16  0  5  o 76.05856 47.24446 118.2476       422.7310 118.2476       422.7310 118.2476       422.7310 76.05856 47.24446 76.05856 47.24446 0.000000       0.000000 
1 1 1 16  0  6  o 259.1988 31.58594 2067.066       461.1463 2067.066       461.1463 2067.066       461.1463 259.1988 31.58594 259.1988 31.58594 0.000000       0.000000 
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 191.1122 30.90515 1159.783       319.2356 1159.783       319.2356 1159.783       319.2356 191.1122 30.90515 191.1122 30.90515 0.000000       0.000000 
1 1 1 16  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0  15 o 54.45536 35.16116 -0.3500626     261.7127 -0.3500626     261.7127 -0.3500626     261.7127 54.45536 35.16116 54.45536 35.16116 0.000000       0.000000 
1 1 1 16  0  16 o 42.13243 29.26359 -219.6320      254.0096 -219.6320      254.0096 -219.6320      254.0096 42.13243 29.26359 42.13243 29.26359 0.000000       0.000000 
1 1 1 16  0  17 o 39.48705 27.57731 -225.8473      234.1339 -225.8473      234.1339 -225.8473      234.1339 39.48705 27.57731 39.48705 27.57731 0.000000       0.000000 
1 1 1 16  0  18 o 41.87643 28.48308 -115.8534      213.0013 -115.8534      213.0013 -115.8534      213.0013 41.87643 28.48308 41.87643 28.48308 0.000000       0.000000 
1 1 1 16  0  19 o 421.8354 14.00109 5252.398       345.5164 5252.398       345.5164 5252.398       345.5164 421.8354 14.00109 421.8354 14.00109 0.000000       0.000000 
1 1 1 16  0  20 o 483.4511 14.18914 6896.409       401.5239 6896.409       401.5239 6896.409       401.5239 483.4511 14.18914 483.4511 14.18914 0.000000       0.000000 
1 1 1 16  0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  0  22 o 39.83799 26.62146 -55.72950      170.9906 -55.72950      170.9906 -55.72950      170.9906 39.83799 26.62146 39.83799 26.62146 0.000000       0.000000 
1 1 1 16  0  23 o 98.74368 35.14236 383.3509       185.4313 383.3509       185.4313 383.3509       185.4313 98.74368 35.14236 98.74368 35.14236 0.000000       0.000000 
1 1 1 16  0  24 o 33.47247 23.32166 -151.1068      164.7388 -151.1068      164.7388 -151.1068      164.7388 33.47247 23.32166 33.47247 23.32166 0.000000       0.000000 
1 1 1 16  0  25 o 32.31452 22.86196 -219.5147      177.6764 -219.5147      177.6764 -219.5147      177.6764 32.31452 22.86196 32.31452 22.86196 0.000000       0.000000 
1 1 1 16  0  26 o 656.5587 17.26546 12748.21       663.7782 12748.21       663.7782 12748.21       663.7782 656.5587 17.26546 656.5587 17.26546 0.000000       0.000000 
1 1 1 16  0  27 o 133.0240 28.84200 593.6663       197.2699 593.6663       197.2699 593.6663       197.2699 133.0240 28.84200 133.0240 28.84200 0.000000       0.000000 
1 1 1 16  0  28 o 114.5710 30.35481 463.5054       176.2164 463.5054       176.2164 463.5054       176.2164 114.5710 30.35481 114.5710 30.35481 0.000000       0.000000 
1 1 1 16  0  29 o 81.62691 37.84063 294.0787       200.2802 294.0787       200.2802 294.0787       200.2802 81.62691 37.84063 81.62691 37.84063 0.000000       0.000000 
1 1 1 16  0  30 o 84.70415 51.99906 227.5996       497.8661 227.5996       497.8661 227.5996       497.8661 84.70415 51.99906 84.70415 51.99906 0.000000       0.000000 
1 1 1 16  0  31 o 254.6920 14.83942 1934.893       219.9204 1934.893       219.9204 1934.893       219.9204 254.6920 14.83942 254.6920 14.83942 0.000000       0.000000 
1 1 1 16  0  32 o 43.97010 28.62269 -7.698781      178.3070 -7.698781      178.3070 -7.698781      178.3070 43.97010 28.62269 43.97010 28.62269 0.000000       0.000000 
1 1 1 16  0  33 o 26.73932 19.40219 -340.0226      167.0398 -340.0226      167.0398 -340.0226      167.0398 26.73932 19.40219 26.73932 19.40219 0.000000       0.000000 
1 1 1 16  0  34 o 272.8933 14.11270 2220.078       224.4807 2220.078       224.4807 2220.078       224.4807 272.8933 14.11270 272.8933 14.11270 0.000000       0.000000 
1 1 1 16  0  35 o 44.11116 29.10297 -26.51580      193.7935 -26.51580      193.7935 -26.51580      193.7935 44.11116 29.10297 44.11116 29.10297 0.000000       0.000000 
1 1 1 16  0  36 o 199.5407 16.61516 1211.273       191.2276 1211.273       191.2276 1211.273       191.2276 199.5407 16.61516 199.5407 16.61516 0.000000       0.000000 
1 1 1 16  0  37 o 221.3636 15.37584 1481.875       197.3658 1481.875       197.3658 1481.875       197.3658 221.3636 15.37584 221.3636 15.37584 0.000000       0.000000 
1 1 1 16  0  38 o 196.2259 16.31144 1175.911       184.6246 1175.911       184.6246 1175.911       184.6246 196.2259 16.31144 196.2259 16.31144 0.000000       0.000000 
1 1 1 16  0  39 o 31.75779 22.17854 -132.8666      151.3996 -132.8666      151.3996 -132.8666      151.3996 31.75779 22.17854 31.75779 22.17854 0.000000       0.000000 
1 1 1 16  0  40 o 176.2446 16.64693 959.1668       168.3299 959.1668       168.3299 959.1668       168.3299 176.2446 16.64693 176.2446 16.64693 0.000000       0.000000 
1 1 1 16  0  41 o 92.26447 33.01794 354.1948       163.1605 354.1948       163.1605 354.1948       163.1605 92.26447 33.01794 92.26447 33.01794 0.000000       0.000000 
1 1 1 16  0  42 f 55.21856 31.97973 137.2519       168.5604 137.2519       168.5604 137.2519       168.5604 55.21856 31.97973 55.21856 31.97973 0.000000       0.000000 
1 1 1 16  0  43 o 36.75075 25.19264 -86.07092      173.8233 -86.07092      173.8233 -86.07092      173.8233 36.75075 25.19264 36.75075 25.19264 0.000000       0.000000 
1 1 1 16  0  44 o 120.5122 34.49365 568.6285       211.2865 568.6285       211.2865 568.6285       211.2865 120.5122 34.49365 120.5122 34.49365 0.000000       0.000000 
1 1 1 16  0  45 o 41.34079 28.31989 -89.13426      218.8199 -89.13426      218.8199 -89.13426      218.8199 41.34079 28.31989 41.34079 28.31989 0.000000       0.000000 
1 1 1 16  0  46 o 57.44306 35.46466 138.2173       234.6914 138.2173       234.6914 138.2173       234.6914 57.44306 35.46466 57.44306 35.46466 0.000000       0.000000 
1 1 1 16  1  0  o 866.3105 21.21204 22116.19       1077.721 23450.55       1578.823 20951.95       1474.751 889.2834 30.31644 840.6274 29.96123 48.65594       42.62349 
1 1 1 16  1  1  o 532.7241 16.57841 8355.166       517.3290 7997.974       693.8454 8802.307       776.3075 520.2728 22.79483 545.5754 24.32326 -25.30261      33.33504 
1 1 1 16  1  2  o 384.9560 17.02519 4367.952       383.4227 4652.365       521.2720 4032.678       565.9642 396.5738 22.50485 368.5007 26.36201 28.07303       34.66156 
1 1 1 16  1  3  f 700.1395 18.57423 14440.17       762.0126 13978.63       1048.289 14957.31       1109.622 687.3339 26.05251 710.8713 26.66268 -23.53741      37.27776 
1 1 1 16  1  4  o 667.0627 18.11703 13106.78       708.1119 12716.25       972.1838 13548.10       1033.466 655.6424 25.33079 676.5994 26.09329 -20.95703      36.36631 
1 1 1 16  1  5  o 925.2231 22.38248 25249.13       1214.521 24829.09       1688.462 25699.46       1748.285 914.3570 31.53374 930.0517 32.10009 -15.69470      44.99769 
1 1 1 16  1  6  f 155.6923 41.71720 750.6120       388.5938 750.6120       388.5938 0.000000       0.000000 155.6923 41.71720 ?        ?        0.000000       41.71720 
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 516.8307 12.39489 7853.792       375.7002 7803.803       530.7250 7904.006       531.9175 514.1848 17.62554 517.4933 17.55165 -3.308472      24.87408 
1 1 1 16  1  13 o 366.8836 12.92526 3964.482       277.6765 4105.210       406.1356 3840.956       380.5043 372.4734 18.65130 360.3581 18.06182 12.11536       25.96345 
1 1 1 16  1  14 o 907.6960 16.22824 24292.63       863.8976 24208.92       1217.519 24377.52       1225.996 903.3691 22.99924 906.4747 23.08002 -3.105591      32.58301 
1 1 1 16  1  15 o 244.3156 14.85867 1765.598       211.8963 1853.667       298.7671 1676.461       300.5744 249.3864 20.61111 236.8312 21.88780 12.55519       30.06483 
1 1 1 16  1  16 o 263.6678 13.48772 2053.329       207.8742 2093.863       299.3505 2015.579       288.8858 265.2659 19.37553 260.2964 19.05580 4.969482       27.17600 
1 1 1 16  1  17 o 383.0053 10.70710 4318.853       240.2707 4068.234       319.8988 4643.214       363.9323 371.0500 14.72968 396.2446 15.69157 -25.19458      21.52182 
1 1 1 16  1  18 o 168.9308 16.14980 851.1134       158.0569 747.4081       227.2672 948.2607       219.9640 156.1283 25.71461 177.2942 21.59998 -21.16595      33.58274 
1 1 1 16  1  19 o 282.1951 10.33428 2346.698       170.7442 2347.422       232.9590 2345.858       250.9849 281.6360 14.14928 281.3307 15.26901 0.3053284      20.81693 
1 1 1 16  1  20 o 269.1853 10.00169 2135.483       157.6230 2020.564       217.0521 2263.708       229.2749 261.1577 14.22503 276.4748 14.18748 -15.31702      20.09070 
1 1 1 16  1  21 o 73.32880 24.84067 151.1006       127.1746 159.4525       174.8629 141.7224       185.2942 79.41688 28.94007 78.48383 29.56680 0.9330444      41.37298 
1 1 1 16  1  22 o 104.5562 27.82767 342.6483       173.6332 342.6483       173.6332 0.000000       0.000000 104.5562 27.82767 ?        ?        0.000000       27.82767 
1 1 1 16  1  23 o 146.4734 15.85634 643.2324       134.0416 481.1755       181.8551 836.0078       198.3433 124.1341 25.82169 166.0531 20.82333 -41.91898      33.17184 
1 1 1 16  1  24 o 185.8685 12.50318 1024.587       135.5011 1066.561       188.8208 980.0212       194.5631 188.7168 17.25097 180.5113 18.64639 8.205475       25.40244 
1 1 1 16  1  25 o 238.6730 10.66668 1682.065       148.9308 1657.621       211.4284 1706.138       209.8206 236.0544 15.35551 239.5734 15.00882 -3.518982      21.47223 
1 1 1 16  1  26 o 219.7282 11.75250 1428.232       150.8981 1550.149       228.1495 1333.427       201.1884 227.8406 17.20115 211.4119 16.35349 16.42874       23.73428 
1 1 1 16  1  27 o 59.23779 24.19399 42.04902       133.0353 138.8374       198.6805 -36.61718      179.1174 79.56657 30.46498 60.15860 26.40927 19.40796       40.31829 
1 1 1 16  1  28 o 75.85055 24.97523 167.3347       128.6985 225.8043       166.2911 80.00400       203.2299 87.21097 28.37008 74.09322 30.03607 13.11775       41.31618 
1 1 1 16  1  29 o 103.4119 21.40419 332.2840       125.5331 279.3135       169.7220 396.2632       186.5266 94.86565 28.33929 111.8100 28.39617 -16.94432      40.11804 
1 1 1 16  1  30 o 95.64490 23.33822 287.4156       129.7368 578.3624       185.7832 10.48849       181.2519 136.3109 24.12191 64.12071 27.34742 72.19019       36.46571 
1 1 1 16  1  31 o 106.6036 27.43239 362.4146       172.5014 831.6614       485.9135 294.7485       184.5202 155.1937 48.27243 96.98755 29.67380 58.20619       56.66358 
1 1 1 16  1  32 o 148.4811 15.18436 663.4977       130.3665 698.5385       200.3516 637.7675       171.6830 149.8329 23.57824 143.9007 20.95828 5.932205       31.54652 
1 1 1 16  1  33 o 42.30633 19.97195 -139.1218      129.6412 -95.61796      199.4002 -170.9757      170.6253 58.76521 26.66957 48.95552 23.04991 9.809696       35.25003 
1 1 1 16  1  34 f 251.7668 10.43828 1879.660       153.7925 1842.381       224.2725 1912.751       211.2978 247.5926 15.52311 252.7497 14.31306 -5.157104      21.11470 
1 1 1 16  1  35 o 79.96651 25.53443 199.2770       135.1232 223.9346       190.5479 174.3351       191.6431 86.41875 30.35587 80.61464 30.13185 5.804115       42.77157 
1 1 1 16  1  36 o 53.29801 22.66411 15.25128       123.8425 -32.91157      171.3894 67.87310       179.1476 57.43237 25.49407 67.35028 27.85099 -9.917915      37.75746 
1 1 1 16  1  37 o 102.2058 22.33641 339.4593       130.1392 304.8683       182.6157 375.1544       185.5075 95.13929 29.59303 104.9186 29.12086 -9.779350      41.51833 
1 1 1 16  1  38 o 133.1054 16.10966 548.1605       123.2012 617.0158       172.2002 475.9554       176.3392 138.4494 21.93815 119.1926 25.96261 19.25679       33.99029 
1 1 1 16  1  39 o 40.85679 19.26890 -115.2987      120.1392 -177.7556      171.3273 -54.87713      168.5126 47.36161 22.53315 54.37326 24.61281 -7.011650      33.36965 
1 1 1 16  1  40 o 75.43827 23.38352 188.0823       114.1305 132.0985       162.5999 242.4500       160.2359 70.28268 27.38490 84.42831 27.87091 -14.14563      39.07327 
1 1 1 16  1  41 o 81.18374 23.05864 222.2220       114.9110 -74.88534      167.8853 484.0988       157.6175 52.27102 24.00554 120.2602 23.18816 -67.98914      33.37599 
1 1 1 16  1  42 o 38.86283 18.50290 -125.1320      115.9397 -125.5265      168.3770 -124.7764      159.8798 48.94572 22.99911 47.52583 22.35673 1.419891       32.07464 
1 1 1 16  1  43 o 94.34299 23.73463 308.1703       131.1898 386.9750       185.9224 230.0268       185.1409 102.1965 29.42864 81.54357 29.76870 20.65289       41.85953 
1 1 1 16  1  44 o 58.60416 24.00537 71.71632       131.4460 229.1211       186.0063 -85.30422      185.7792 80.95701 29.79174 53.54145 24.82393 27.41556       38.77855 
1 1 1 16  1  45 o 81.98997 27.46188 242.8985       155.4414 38.57806       207.7139 502.9621       234.3417 64.11391 28.28142 111.7507 33.28001 -47.63678      43.67377 
1 1 1 16  1  46 o 41.44439 20.41705 -304.3248      176.2097 -487.4568      235.3815 -70.84866      265.7734 44.59875 22.24655 63.44324 29.50916 -18.84448      36.95537 
1 1 1 16  2  0  o 1013.378 19.69566 30243.03       1170.557 31898.67       2092.934 29489.39       1412.059 1035.622 34.50726 999.6133 24.08631 36.00903       42.08208 
1 1 1 16  2  1  o 760.9816 19.48769 17063.89       869.0154 17498.73       1225.385 16623.92       1232.594 768.8629 27.21816 749.1401 28.10458 19.72278       39.12411 
1 1 1 16  2  2  o 643.1774 17.76416 12182.63       669.4370 11560.55       886.2487 13009.17       1021.558 625.3751 24.20949 662.9839 26.32533 -37.60883      35.76482 
1 1 1 16  2  3  o 725.7340 18.94255 15517.78       805.5548 15494.74       1116.831 15542.77       1163.025 723.5995 26.36121 724.4514 27.42295 -0.8519287     38.03855 
1 1 1 16  2  4  o 933.1250 22.64101 25683.69       1239.042 25375.91       1721.582 26014.43       1784.661 924.3537 31.80433 935.6356 32.57327 -11.28192      45.52509 
1 1 1 16  2  5  o 657.1918 25.13991 12777.38       967.1744 12777.38       967.1744 0.000000       0.000000 657.1918 25.13991 ?        ?        0.000000       25.13991 
1 1 1 16  2  6  o 384.6968 21.83888 4378.507       490.6953 4378.507       490.6953 0.000000       0.000000 384.6968 21.83888 ?        ?        0.000000       21.83888 
1 1 1 16  2  7  o 110.9919 40.79687 297.0640       348.6443 297.0640       348.6443 0.000000       0.000000 110.9919 40.79687 ?        ?        0.000000       40.79687 
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 o 771.2560 20.56127 17574.32       929.2046 17574.32       929.2046 0.000000       0.000000 771.2560 20.56127 ?        ?        0.000000       20.56127 
1 1 1 16  2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  2  13 o 441.6677 12.17373 5740.832       315.0325 5977.318       450.3226 5514.166       440.8740 449.9019 17.09805 432.0333 17.43572 17.86865       24.42023 
1 1 1 16  2  14 o 150.0319 25.62243 687.1273       217.3636 422.0497       317.9123 919.8254       297.8634 119.9308 39.24058 173.0252 30.46561 -53.09440      49.67873 
1 1 1 16  2  15 o 631.1059 12.51314 11722.00       463.1471 11651.78       655.4544 11792.01       654.5244 627.7978 17.82017 631.6052 17.68713 -3.807434      25.10763 
1 1 1 16  2  16 o 203.0621 16.05241 1224.594       189.6160 1454.138       286.0573 1044.689       253.2457 220.1625 22.46902 185.9625 23.76238 34.20000       32.70333 
1 1 1 16  2  17 o 440.2675 10.63546 5702.352       274.6144 5396.594       372.7318 6065.381       406.1425 427.3870 14.89323 453.0320 15.30817 -25.64508      21.35763 
1 1 1 16  2  18 o 92.27856 32.19740 233.3122       214.1433 0.000000       0.000000 233.3122       214.1433 ?        ?        92.27856 32.19740 0.000000       32.19740 
1 1 1 16  2  19 f 96.54823 31.23143 276.0538       201.6888 0.000000       0.000000 276.0538       201.6888 ?        ?        96.54823 31.23143 0.000000       31.23143 
1 1 1 16  2  20 o 537.0009 10.72547 8491.805       337.7862 8197.331       462.7183 8827.769       494.2419 526.3417 15.00520 546.0764 15.44800 -19.73468      21.53594 
1 1 1 16  2  21 o 49.17892 21.82081 -41.31365      125.4216 151.1966       173.8058 -250.4809      181.1692 78.27788 28.79944 47.39668 22.71874 30.88120       36.68172 
1 1 1 16  2  22 o 92.35957 23.16368 265.6341       125.2329 280.6776       174.4604 249.6420       179.8760 95.57312 28.77407 91.48782 29.48564 4.085297       41.19891 
1 1 1 16  2  23 o 121.4693 26.36033 462.0298       182.3836 462.0298       182.3836 0.000000       0.000000 121.4693 26.36033 ?        ?        0.000000       26.36033 
1 1 1 16  2  24 o 596.6524 11.37937 10499.14       398.1900 10694.77       571.1647 10314.15       555.4168 600.1973 16.24113 589.4837 16.08061 10.71356       22.85520 
1 1 1 16  2  25 o 115.0946 20.52906 406.8722       133.4885 380.3670       179.0047 440.0778       200.3571 109.9592 27.75862 118.0667 29.11981 -8.107452      40.23064 
1 1 1 16  2  26 o 593.3619 9.917665 10368.30       345.1276 10791.77       593.3157 10151.74       424.2980 602.7455 16.80062 586.4515 12.33640 16.29395       20.84340 
1 1 1 16  2  27 o 51.61237 24.44247 -224.3303      197.0790 -96.19153      222.4848 -691.2374      424.6931 63.37639 28.52148 68.33717 33.24318 -4.960773      43.80164 
1 1 1 16  2  28 o 175.5265 13.60055 916.7105       138.9154 1049.142       220.5965 829.6825       178.8264 186.2324 20.53795 165.8345 18.71325 20.39798       27.78476 
1 1 1 16  2  29 o 61.52357 23.82020 76.17590       122.4219 24.57440       181.9648 118.8461       165.4698 65.63763 27.67105 73.01442 27.84014 -7.376785      39.25252 
1 1 1 16  2  30 o 283.9091 9.867185 2380.032       164.0448 2121.525       258.8027 2553.651       212.0955 266.3097 16.65370 293.5297 12.34810 -27.22006      20.73213 
1 1 1 16  2  31 o 321.1842 8.631312 3041.952       162.4380 3061.053       242.2042 3026.337       218.9901 321.0983 12.88772 319.6144 11.70258 1.483917       17.40815 
1 1 1 16  2  32 o 74.70221 24.47319 165.7900       123.6391 288.1582       185.3500 67.68862       165.9572 95.87315 29.81255 66.88156 27.13147 28.99159       40.31011 
1 1 1 16  2  33 o 124.5170 19.20592 477.4753       135.7488 80.44624       211.3486 756.2940       177.1125 74.19238 30.42044 157.1616 19.64328 -82.96926      36.21135 
1 1 1 16  2  34 o 246.7689 10.92892 1807.977       157.7755 1761.843       240.1668 1843.004       209.2676 241.4644 17.06936 248.0184 14.44949 -6.554016      22.36405 
1 1 1 16  2  35 o 55.60923 23.29677 27.20691       127.7222 -293.5072      180.7371 347.1369       180.5161 44.59605 21.69238 102.7171 28.80658 -58.12107      36.06076 
1 1 1 16  2  36 o 43.03483 20.10321 -107.1026      125.4924 -78.70435      185.0846 -131.2665      170.7295 56.41854 25.63991 50.55795 23.56134 5.860592       34.82157 
1 1 1 16  2  37 o 61.76972 24.08913 86.60550       125.9060 75.70568       180.1012 97.02435       176.0828 67.66941 27.94843 69.29816 28.00655 -1.628746      39.56617 
1 1 1 16  2  38 o 36.55944 17.66518 -167.7857      114.7947 -118.3198      166.6502 -212.4502      158.3558 50.07767 23.31761 43.38923 20.91117 6.688438       31.32072 
1 1 1 16  2  39 o 42.73887 19.88025 -89.67438      120.6560 -345.7708      176.9630 132.7992       164.9377 41.15978 20.31169 71.15471 27.62135 -29.99493      34.28562 
1 1 1 16  2  40 o 87.24584 23.09461 255.8863       120.0027 279.6295       175.7076 235.1294       164.2865 89.61906 29.16289 83.43119 28.23366 6.187866       40.59081 
1 1 1 16  2  41 o 57.12167 22.59715 73.95245       112.1653 -46.91862      165.9520 175.6094       152.1913 53.87090 24.40129 74.51157 27.02138 -20.64067      36.40849 
1 1 1 16  2  42 o 36.66906 17.77502 -173.2518      118.6042 -72.97054      175.6627 -257.2670      160.7861 53.31334 24.51028 41.13146 20.10614 12.18188       31.70190 
1 1 1 16  2  43 o 43.41817 20.13877 -76.23269      122.4633 -144.7711      178.9101 -15.80979      167.9843 49.34771 23.34580 55.82732 24.98014 -6.479607      34.19114 
1 1 1 16  2  44 o 77.21426 25.29131 206.9069       132.0464 306.6830       189.4259 112.5924       184.1685 90.54759 30.31544 68.40121 28.25758 22.14639       41.44294 
1 1 1 16  2  45 o 65.16065 25.97825 115.1990       149.3452 -52.87282      199.6989 328.4872       224.9632 57.07011 26.19915 91.61098 32.90126 -34.54088      42.05816 
1 1 1 16  2  46 o 46.07740 22.13704 -184.6051      174.2423 -127.2905      226.0381 -268.5343      273.5305 56.22380 26.48996 56.03944 27.12384 0.1843605      37.91333 
1 1 1 16  3  0  o 702.7800 15.15793 14520.36       624.7549 15932.87       1112.756 13870.13       754.9800 733.9161 25.89310 686.1392 18.77938 47.77692       31.98621 
1 1 1 16  3  1  o 598.4724 14.09768 10526.39       494.8145 9523.654       765.1413 11247.21       648.7267 567.7401 23.02734 617.9429 17.91933 -50.20288      29.17809 
1 1 1 16  3  2  o 515.6944 16.60963 7830.831       501.6907 7617.111       658.2289 8127.086       774.9769 507.7780 22.15640 523.9550 25.29468 -16.17703      33.62628 
1 1 1 16  3  3  o 436.3139 16.44178 5607.566       419.9725 5458.191       545.6790 5824.607       657.7623 429.7314 21.72203 443.3291 25.40472 -13.59769      33.42524 
1 1 1 16  3  4  o 778.1844 19.73218 17849.69       899.8242 16897.08       1198.540 19080.23       1362.200 755.3884 27.09791 802.2042 29.00152 -46.81580      39.69112 
1 1 1 16  3  5  o 906.8712 31.17238 24423.81       1655.465 24423.81       1655.465 0.000000       0.000000 906.8712 31.17238 ?        ?        0.000000       31.17238 
1 1 1 16  3  6  o 82.46093 37.04485 -171.3562      373.4789 -171.3562      373.4789 0.000000       0.000000 82.46093 37.04485 ?        ?        0.000000       37.04485 
1 1 1 16  3  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3  8  o 85.68427 38.01091 -124.5859      380.3965 -124.5859      380.3965 0.000000       0.000000 85.68427 38.01091 ?        ?        0.000000       38.01091 
1 1 1 16  3  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3  11 o 899.8051 22.98763 23964.94       1212.097 23964.94       1212.097 0.000000       0.000000 899.8051 22.98763 ?        ?        0.000000       22.98763 
1 1 1 16  3  12 o 329.5823 20.34364 3220.932       391.3103 3220.932       391.3103 0.000000       0.000000 329.5823 20.34364 ?        ?        0.000000       20.34364 
1 1 1 16  3  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  3  14 o 396.3312 12.08352 4624.807       280.5400 4317.887       399.7884 4922.550       393.7671 382.0105 17.89423 408.2040 16.48183 -26.19354      24.32805 
1 1 1 16  3  15 o 107.4241 29.94000 355.7387       195.6490 267.8449       275.7418 444.8512       277.6469 101.4466 36.42669 120.5785 36.29871 -19.13193      51.42471 
1 1 1 16  3  16 o 451.6042 11.20359 6000.180       296.7330 6208.134       435.3080 5819.680       405.5574 458.2588 16.22262 443.8069 15.60573 14.45193       22.51027 
1 1 1 16  3  17 o 97.74738 34.14202 261.9216       240.8286 0.000000       0.000000 261.9216       240.8286 ?        ?        97.74738 34.14202 0.000000       34.14202 
1 1 1 16  3  18 o 144.1775 18.76298 626.3754       154.8936 556.4995       227.5153 686.7426       211.4691 133.3808 29.83318 149.6643 24.97161 -16.28351      38.90501 
1 1 1 16  3  19 o 503.7544 10.51333 7469.777       310.6058 7266.498       425.0856 7702.634       454.9607 495.7610 14.63623 510.2661 15.21992 -14.50510      21.11552 
1 1 1 16  3  20 o 224.7762 11.41241 1492.499       149.9528 1521.453       213.5430 1464.332       210.6178 226.1192 16.21020 221.7932 16.30583 4.326019       22.99240 
1 1 1 16  3  21 o 192.2759 12.63097 1095.687       141.6447 1122.373       212.1834 1074.234       190.2399 193.3582 18.95431 189.4970 17.30874 3.861237       25.66824 
1 1 1 16  3  22 o 144.4405 15.74921 625.3105       131.2545 585.0614       182.9241 668.0248       188.4427 137.8603 23.46441 147.7962 22.44504 -9.935974      32.47088 
1 1 1 16  3  23 o 157.8045 15.63012 745.0654       142.7561 596.1839       197.2041 908.9810       206.9216 138.6825 25.17306 173.2537 20.77849 -34.57124      32.64090 
1 1 1 16  3  24 o 54.50259 25.06272 -128.8317      183.8156 -128.8317      183.8156 0.000000       0.000000 54.50259 25.06272 ?        ?        0.000000       25.06272 
1 1 1 16  3  25 o 345.1285 8.857343 3507.147       179.1331 3649.719       281.2655 3409.852       232.3504 351.0959 13.68588 339.7928 11.67682 11.30310       17.99032 
1 1 1 16  3  26 f 72.19950 26.55998 128.0034       147.8191 190.9992       210.2784 66.46101       207.8386 86.56433 31.70569 73.60734 30.17212 12.95699       43.76765 
1 1 1 16  3  27 o 121.0166 23.87419 454.7206       163.4220 569.0454       235.7817 349.0218       226.7122 134.0178 30.66418 106.3301 32.95655 27.68771       45.01585 
1 1 1 16  3  28 o 94.79298 24.58199 281.1282       137.7953 327.9856       219.3203 250.5686       177.1184 103.2733 32.47691 91.25091 29.24442 12.02242       43.70339 
1 1 1 16  3  29 f 89.90923 23.58723 252.8432       125.9011 435.2919       199.5515 132.1904       162.2757 117.0029 29.18074 74.22560 27.73053 42.77725       40.25541 
1 1 1 16  3  30 o 115.6711 18.68043 410.0138       122.4082 442.2386       186.9862 385.8473       161.9279 117.9398 27.53585 110.4941 25.50486 7.445702       37.53293 
1 1 1 16  3  31 f 124.7750 18.11011 475.4121       128.6575 222.6965       205.3501 638.7142       165.0726 88.81806 31.48505 144.4242 20.02700 -55.60613      37.31474 
1 1 1 16  3  32 o 123.2171 17.38428 463.1101       122.1390 402.9212       187.3524 507.5977       161.0722 111.9261 28.47695 127.6447 22.32907 -15.71861      36.18734 
1 1 1 16  3  33 o 163.9769 13.26083 804.3004       126.4404 985.4625       196.0407 675.2604       165.4530 179.9325 18.85723 148.4114 19.47863 31.52112       27.11111 
1 1 1 16  3  34 o 166.6404 14.30229 834.9609       138.4266 926.0545       213.2293 768.6030       181.9906 173.0103 21.47560 157.9325 20.10340 15.07785       29.41680 
1 1 1 16  3  35 o 178.2587 12.40584 951.5264       128.8869 857.8629       179.2330 1051.827       185.4745 167.0483 18.61035 185.7371 17.22305 -18.68874      25.35702 
1 1 1 16  3  36 o 214.7599 11.14169 1377.673       139.8515 1564.494       205.2180 1215.680       191.0962 226.9983 15.50810 199.5306 16.47696 27.46773       22.62722 
1 1 1 16  3  37 o 130.7588 16.62759 529.1370       124.6320 690.0446       180.6698 383.0456       172.1511 147.1770 21.57136 106.5458 27.39778 40.63121       34.87065 
1 1 1 16  3  38 o 207.8590 11.89640 1300.299       144.4167 1099.719       209.1166 1483.189       199.6821 187.1926 19.32550 220.0756 15.57149 -32.88304      24.81826 
1 1 1 16  3  39 o 173.6210 12.85308 914.7534       129.9480 870.0319       195.2614 950.3075       174.1018 165.0636 20.61885 174.7044 17.21563 -9.640823      26.86103 
1 1 1 16  3  40 o 52.78180 22.19197 31.96175       116.5425 86.26418       172.7742 -13.37310      157.8649 66.38412 27.39152 55.35825 24.52603 11.02587       36.76713 
1 1 1 16  3  41 o 129.6764 16.01096 526.9507       119.1835 568.1671       172.3503 489.1786       164.9921 130.2976 23.41470 120.1611 24.24956 10.13648       33.70889 
1 1 1 16  3  42 o 81.78619 23.06272 228.1233       115.3745 168.2270       174.4244 274.7144       153.8364 74.33033 28.52342 88.10503 27.12020 -13.77470      39.35849 
1 1 1 16  3  43 o 47.97731 21.23063 -10.64991      117.9481 293.2850       176.9324 -253.7470      158.2366 89.54397 29.27276 40.64125 19.88342 48.90272       35.38708 
1 1 1 16  3  44 o 45.55185 21.03765 -69.37017      131.5215 157.7144       199.6098 -243.5945      174.8407 73.87579 29.83240 43.82287 21.32067 30.05292       36.66801 
1 1 1 16  3  45 o 58.09597 24.53556 55.93365       143.4782 217.3088       212.0979 -80.21931      194.8191 79.71493 31.21367 54.76926 25.40271 24.94566       40.24414 
1 1 1 16  3  46 o 103.2930 26.80182 391.4013       163.7419 356.3779       226.2121 429.9485       237.3192 94.30830 33.07895 102.2168 33.92520 -7.908485      47.38287 
1 1 1 16  4  0  o 577.2656 17.41291 9814.410       588.8447 0.000000       0.000000 9814.410       588.8447 ?        ?        577.2656 17.41291 0.000000       17.41291 
1 1 1 16  4  1  o 1026.856 19.89799 31060.38       1198.310 31585.84       2086.474 30801.75       1463.802 1030.257 34.58062 1021.399 24.43634 8.857666       42.34328 
1 1 1 16  4  2  o 457.6065 16.30028 6167.103       436.7605 5989.914       566.7752 6426.162       685.3171 450.2501 21.52615 465.7602 25.18238 -15.51010      33.12895 
1 1 1 16  4  3  o 454.7217 16.10757 6089.301       428.8840 6175.810       558.2548 5964.699       669.9849 457.2869 20.87083 448.5830 25.57258 8.703857       33.00831 
1 1 1 16  4  4  o 308.4456 21.40183 2818.287       384.7497 2818.287       384.7497 0.000000       0.000000 308.4456 21.40183 ?        ?        0.000000       21.40183 
1 1 1 16  4  5  o 853.6516 29.26588 21616.38       1463.019 21616.38       1463.019 0.000000       0.000000 853.6516 29.26588 ?        ?        0.000000       29.26588 
1 1 1 16  4  6  o 471.9930 20.96495 6581.310       578.8884 6581.310       578.8884 0.000000       0.000000 471.9930 20.96495 ?        ?        0.000000       20.96495 
1 1 1 16  4  7  o 204.0112 29.60491 1258.997       343.8811 1258.997       343.8811 0.000000       0.000000 204.0112 29.60491 ?        ?        0.000000       29.60491 
1 1 1 16  4  8  o 998.5009 33.72049 29718.88       1971.829 29718.88       1971.829 0.000000       0.000000 998.5009 33.72049 ?        ?        0.000000       33.72049 
1 1 1 16  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  4  11 o 755.7103 20.45248 16878.73       905.6331 16878.73       905.6331 0.000000       0.000000 755.7103 20.45248 ?        ?        0.000000       20.45248 
1 1 1 16  4  12 o 730.3737 19.90762 15768.98       851.9414 15768.98       851.9414 0.000000       0.000000 730.3737 19.90762 ?        ?        0.000000       19.90762 
1 1 1 16  4  13 o 444.9700 17.50419 5850.819       455.9059 5850.819       455.9059 0.000000       0.000000 444.9700 17.50419 ?        ?        0.000000       17.50419 
1 1 1 16  4  14 f 376.5127 11.85697 4173.968       261.4942 4263.098       379.7648 4093.608       360.5965 379.6889 17.09826 372.1460 16.56331 7.542847       23.80533 
1 1 1 16  4  15 o 440.8853 11.46781 5722.042       296.2701 5828.586       427.4425 5623.529       411.0184 444.0745 16.44076 436.2548 16.09220 7.819763       23.00560 
1 1 1 16  4  16 o 156.7850 20.50270 740.8982       184.0113 493.9944       276.7664 936.5063       246.3446 125.9340 35.79126 175.6710 24.58277 -49.73699      43.42035 
1 1 1 16  4  17 o 239.5555 13.01845 1696.184       182.2136 1939.695       268.3486 1487.856       248.2065 255.3427 18.03552 223.2490 19.14173 32.09373       26.29992 
1 1 1 16  4  18 o 148.8034 18.29729 665.8796       156.3218 795.3592       234.0725 561.6401       210.0226 161.1248 25.62808 134.4252 27.56605 26.69960       37.63889 
1 1 1 16  4  19 o 225.1296 12.55908 1499.003       165.1643 1670.699       240.1725 1344.951       227.4977 236.8191 17.41421 212.1252 18.47064 24.69391       25.38541 
1 1 1 16  4  20 o 344.9154 9.688317 3503.638       195.7857 3597.399       283.6409 3418.310       270.5859 348.7160 13.89687 339.9752 13.59830 8.740814       19.44317 
1 1 1 16  4  21 o 200.9099 12.63012 1195.996       148.0663 1364.052       218.2385 1052.659       201.5504 213.6350 17.57365 187.2627 18.59742 26.37227       25.58705 
1 1 1 16  4  22 o 286.6070 10.12253 2422.312       169.8807 2399.931       236.6058 2446.125       244.0627 284.5039 14.22547 287.1657 14.53898 -2.661743      20.34074 
1 1 1 16  4  23 o 309.0080 10.08973 2815.577       182.6068 2857.317       256.0755 2772.391       260.4706 310.4798 14.10000 305.7105 14.56966 4.769257       20.27523 
1 1 1 16  4  24 o 152.5158 17.98238 700.9834       157.7583 461.5894       208.4208 1022.141       241.4034 120.8197 29.64112 183.2471 22.96536 -62.42735      37.49671 
1 1 1 16  4  25 o 100.3525 24.37094 314.6972       141.9855 483.0287       206.2647 163.1000       195.7437 123.7441 28.94074 81.94267 30.48711 41.80145       42.03606 
1 1 1 16  4  26 o 333.9879 15.48069 3311.874       302.4047 0.000000       0.000000 3311.874       302.4047 ?        ?        333.9879 15.48069 0.000000       15.48069 
1 1 1 16  4  27 o 75.10803 26.37453 152.7652       143.8351 130.5166       206.6465 173.6740       200.3278 79.60771 30.91311 83.56538 30.88823 -3.957664      43.70015 
1 1 1 16  4  28 o 305.2867 9.384956 2747.306       167.8319 3083.088       273.0381 2543.388       212.7756 322.2880 14.48236 293.1500 12.40407 29.13803       19.06829 
1 1 1 16  4  29 o 106.4956 22.15504 353.2257       133.8621 252.2299       211.8484 420.3511       172.7099 93.32994 32.05137 115.4799 26.11532 -22.14996      41.34369 
1 1 1 16  4  30 o 245.2052 10.06972 1776.936       144.5016 1923.255       212.5864 1651.269       197.0133 254.1276 14.32169 235.4106 14.33783 18.71703       20.26534 
1 1 1 16  4  31 o 274.2244 9.158993 2219.923       147.0938 2404.125       223.3892 2078.924       195.4445 284.3136 13.43520 264.5615 12.63289 19.75208       18.44166 
1 1 1 16  4  32 o 153.4277 14.49630 706.6667       128.8937 644.9580       195.8327 753.8310       171.2058 143.6184 24.10316 157.2693 18.94299 -13.65091      30.65614 
1 1 1 16  4  33 o 154.3236 14.64944 716.3109       131.0000 719.8965       197.0100 713.4691       175.3926 152.1111 22.78436 152.3641 20.11931 -0.2529602     30.39595 
1 1 1 16  4  34 o 203.8361 11.65850 1237.379       138.7903 1162.233       195.7598 1313.328       196.8026 195.7527 17.22717 208.5537 16.21763 -12.80096      23.65981 
1 1 1 16  4  35 o 83.59789 28.57926 213.6784       168.3881 -238.2183      494.7512 272.8831       179.0793 86.21216 40.15424 92.08988 29.39462 -5.877724      49.76350 
1 1 1 16  4  36 o 163.4224 13.26161 806.2080       126.0124 931.9060       183.9238 695.0044       172.9949 173.6170 18.34008 148.7867 20.35863 24.83032       27.40132 
1 1 1 16  4  37 o 113.1935 19.39473 406.1082       124.1227 236.9451       186.9803 539.3824       165.9649 86.11928 30.08360 129.2120 22.73051 -43.09268      37.70543 
1 1 1 16  4  38 o 79.25723 24.19582 205.6791       122.7689 169.9212       177.8593 238.2210       169.6727 76.93079 28.97062 85.13869 28.69295 -8.207909      40.77478 
1 1 1 16  4  39 o 51.55733 22.02916 16.17620       117.9927 -141.7700      176.1369 144.7563       158.9215 50.08310 23.53027 71.92967 27.31758 -21.84657      36.05445 
1 1 1 16  4  40 o 136.9670 15.05128 581.4471       118.9138 436.6781       170.8347 717.5217       165.6254 112.4385 26.36646 149.8799 19.28897 -37.44146      32.66886 
1 1 1 16  4  41 o 70.22977 23.03098 160.6662       109.4845 87.78448       159.3093 225.8979       150.7168 64.60890 26.44192 81.38840 27.03639 -16.77950      37.81721 
1 1 1 16  4  42 f 62.07526 23.58426 106.9366       118.4804 96.27718       186.4815 114.1521       153.4268 67.86127 28.26898 66.44168 26.38244 1.419594       38.66741 
1 1 1 16  4  43 o 50.33774 22.24695 -6.652732      129.1151 -123.9883      203.0485 72.99823       167.2940 54.02641 25.34522 63.19532 26.58049 -9.168915      36.72742 
1 1 1 16  4  44 f 114.8895 20.75702 440.5986       134.7147 542.7466       208.3537 367.2197       176.5923 120.5695 29.67034 99.41463 28.69700 21.15490       41.27768 
1 1 1 16  4  45 o 78.70256 26.24095 219.9863       141.9511 256.7776       208.0284 187.9289       194.1843 83.71320 31.37235 75.98456 29.83267 7.728638       43.29218 
1 1 1 16  4  46 o 46.83776 21.90775 -94.88783      149.8212 -137.3852      224.1657 -60.57920      201.4142 55.44742 26.20174 56.62445 26.10949 -1.177029      36.98968 
1 1 1 16  5  0  o 1450.494 48.30875 63444.09       4103.796 0.000000       0.000000 63444.09       4103.796 ?        ?        1450.494 48.30875 0.000000       48.30875 
1 1 1 16  5  1  o 1058.748 25.13075 33114.30       1560.445 0.000000       0.000000 33114.30       1560.445 ?        ?        1058.748 25.13075 0.000000       25.13075 
1 1 1 16  5  2  o 930.3749 18.19070 25482.09       992.5628 25353.12       1694.226 25549.48       1224.752 923.9742 31.31041 930.6574 22.43923 -6.683167      38.52091 
1 1 1 16  5  3  o 1014.136 34.05938 30611.31       2022.865 30611.31       2022.865 0.000000       0.000000 1014.136 34.05938 ?        ?        0.000000       34.05938 
1 1 1 16  5  4  o 251.2583 26.01272 1885.947       377.7778 1885.947       377.7778 0.000000       0.000000 251.2583 26.01272 ?        ?        0.000000       26.01272 
1 1 1 16  5  5  o 483.3764 20.92406 6901.718       591.7689 6901.718       591.7689 0.000000       0.000000 483.3764 20.92406 ?        ?        0.000000       20.92406 
1 1 1 16  5  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  5  7  o 644.9503 23.89511 12306.68       902.2653 12306.68       902.2653 0.000000       0.000000 644.9503 23.89511 ?        ?        0.000000       23.89511 
1 1 1 16  5  8  o 181.9288 32.94195 1014.455       338.5436 1014.455       338.5436 0.000000       0.000000 181.9288 32.94195 ?        ?        0.000000       32.94195 
1 1 1 16  5  9  o 250.7818 25.24468 1880.225       366.2460 1880.225       366.2460 0.000000       0.000000 250.7818 25.24468 ?        ?        0.000000       25.24468 
1 1 1 16  5  10 o 410.7631 14.14580 4969.735       340.2679 4969.735       340.2679 0.000000       0.000000 410.7631 14.14580 ?        ?        0.000000       14.14580 
1 1 1 16  5  11 o 771.6752 20.82362 17608.63       941.5517 17608.63       941.5517 0.000000       0.000000 771.6752 20.82362 ?        ?        0.000000       20.82362 
1 1 1 16  5  12 o 331.0005 20.12226 3249.372       388.7759 3249.372       388.7759 0.000000       0.000000 331.0005 20.12226 ?        ?        0.000000       20.12226 
1 1 1 16  5  13 o 837.9298 21.63271 20803.62       1062.198 0.000000       0.000000 20803.62       1062.198 ?        ?        837.9298 21.63271 0.000000       21.63271 
1 1 1 16  5  14 o 1141.111 28.16951 38876.59       1885.201 0.000000       0.000000 38876.59       1885.201 ?        ?        1141.111 28.16951 0.000000       28.16951 
1 1 1 16  5  15 o 347.2100 11.89977 3551.881       241.9575 3456.854       349.5751 3639.271       335.2344 341.5874 17.50811 350.7340 16.34240 -9.146576      23.95012 
1 1 1 16  5  16 o 86.06956 29.19682 207.6195       175.6937 309.0073       251.0724 110.3315       245.9437 103.7616 34.90320 83.20160 33.28162 20.56004       48.22758 
1 1 1 16  5  17 o 219.2096 14.28421 1423.787       182.6394 1350.412       264.8474 1490.322       252.1987 212.0390 21.59875 223.3344 19.44847 -11.29535      29.06457 
1 1 1 16  5  18 o 424.9647 10.37177 5314.668       258.4975 5614.563       397.0636 5094.065       340.5503 435.5479 15.56943 415.2120 14.00499 20.33591       20.94152 
1 1 1 16  5  19 o 516.0289 10.68575 7840.471       323.3921 7678.979       449.5697 8013.639       465.5392 509.4464 15.06348 520.3745 15.27073 -10.92810      21.45002 
1 1 1 16  5  20 o 161.6212 15.26455 779.5444       142.9740 701.6467       213.9958 842.3526       192.1547 151.0071 25.04009 167.0660 20.00911 -16.05890      32.05262 
1 1 1 16  5  21 o 110.8267 22.10956 379.8395       138.6657 413.3596       202.5741 350.2849       190.2146 114.5214 29.85880 105.7969 29.53411 8.724495       41.99776 
1 1 1 16  5  22 f 250.4816 11.20184 1853.434       164.1404 1827.562       241.2509 1875.732       223.9702 247.6114 16.71087 251.1996 15.27490 -3.588196      22.64013 
1 1 1 16  5  23 f 462.3163 14.40744 6331.208       390.1629 6331.208       390.1629 0.000000       0.000000 462.3163 14.40744 ?        ?        0.000000       14.40744 
1 1 1 16  5  24 o 293.2613 9.515705 2534.639       163.4447 2357.057       254.7346 2658.905       213.0916 281.6139 15.48309 299.9046 12.14035 -18.29074      19.67522 
1 1 1 16  5  25 o 270.3473 10.50105 2156.711       166.1798 2422.499       260.9941 1975.487       215.5112 285.4879 15.64791 258.0206 14.29770 27.46729       21.19626 
1 1 1 16  5  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  5  27 o 46.33593 21.63963 -134.9645      145.2523 53.09499       216.6434 -288.5373      195.7740 73.58266 30.54560 48.34367 23.28681 25.23899       38.40975 
1 1 1 16  5  28 o 272.5721 10.04075 2192.538       160.2341 2171.172       257.3336 2206.068       204.7763 269.8351 16.33755 272.8673 12.83204 -3.032257      20.77443 
1 1 1 16  5  29 o 362.5235 9.148344 3873.917       194.3489 4287.755       328.8932 3651.880       240.9090 379.8423 14.79218 351.3907 11.70628 28.45163       18.86386 
1 1 1 16  5  30 o 230.1464 11.61313 1570.119       156.2421 1892.128       260.3806 1388.939       195.3123 250.9600 17.80670 215.4830 15.55969 35.47708       23.64704 
1 1 1 16  5  31 o 252.2057 9.565027 1879.458       141.2225 1623.483       203.4684 2117.396       196.1690 233.0711 14.96438 267.0006 12.56282 -33.92947      19.53861 
1 1 1 16  5  32 o 39.74802 18.80105 -129.7963      115.9385 -217.1977      177.2925 -64.49518      153.2468 47.83208 22.80332 52.60206 23.67201 -4.769981      32.86876 
1 1 1 16  5  33 o 215.1385 11.12723 1374.465       139.9192 1487.525       220.7831 1298.580       180.8803 221.9937 17.08945 208.0546 14.92305 13.93916       22.68803 
1 1 1 16  5  34 o 195.8906 11.89898 1144.156       136.0569 1140.822       203.7024 1146.842       182.8148 193.5105 18.16129 194.7823 16.14838 -1.271790      24.30232 
1 1 1 16  5  35 o 147.2683 14.50278 656.9497       123.6359 635.8358       176.1656 677.4434       173.5588 142.0827 21.83918 147.2485 20.66569 -5.165771      30.06693 
1 1 1 16  5  36 o 282.3326 12.43617 2390.668       205.4147 2561.545       514.3273 2358.239       224.0603 275.4869 32.45591 279.7459 13.69850 -4.258972      35.22833 
1 1 1 16  5  37 o 46.52280 20.70860 -29.05458      113.8802 53.39269       165.3029 -103.5328      157.1112 63.41534 26.53084 49.41053 22.88074 14.00481       35.03447 
1 1 1 16  5  38 o 52.66265 21.69806 39.42890       108.2044 24.51094       150.4685 55.40520       155.7145 58.14627 24.86142 61.95613 25.82230 -3.809856      35.84525 
1 1 1 16  5  39 o 69.86175 23.23458 154.5323       111.3024 282.3610       157.5180 27.06831       157.2931 90.76301 27.34463 59.09173 25.34553 31.67128       37.28437 
1 1 1 16  5  40 o 41.78560 19.47415 -87.37099      116.6568 213.2848       183.8601 -289.9663      150.9272 81.05024 29.65343 38.21883 18.84097 42.83141       35.13272 
1 1 1 16  5  41 o 88.30148 23.29030 265.1823       122.3253 142.4888       182.2111 365.8502       165.0477 72.50278 28.76323 101.7730 27.15099 -29.27023      39.55376 
1 1 1 16  5  42 o 134.1072 16.45200 568.2798       126.6885 369.9375       191.6474 722.2247       168.8410 99.93033 30.17402 149.1364 19.79198 -49.20607      36.08593 
1 1 1 16  5  43 o 80.02832 24.75881 223.0172       128.0208 295.6821       207.7858 178.5557       162.5346 89.22257 31.66702 74.24585 27.74972 14.97672       42.10519 
1 1 1 16  5  44 o 38.71078 18.68741 -166.7011      127.7381 -143.4477      203.1131 -181.9160      164.2965 52.78350 24.94234 44.79438 21.51422 7.989113       32.93907 
1 1 1 16  5  45 o 170.2793 14.01455 903.0993       138.7182 830.2519       216.9762 953.4581       180.4026 154.2081 24.83460 171.6609 18.19606 -17.45274      30.78724 
1 1 1 16  5  46 f 65.65322 26.07488 121.5098       149.9007 399.1127       216.6920 -133.2482      207.5845 99.61150 32.38391 53.43428 25.23948 46.17721       41.05787 
1 1 1 16  6  0  o 451.4038 16.24508 6001.874       429.3672 0.000000       0.000000 6001.874       429.3672 ?        ?        451.4038 16.24508 0.000000       16.24508 
1 1 1 16  6  1  o 544.7494 16.61388 8739.012       530.1642 0.000000       0.000000 8739.012       530.1642 ?        ?        544.7494 16.61388 0.000000       16.61388 
1 1 1 16  6  2  o 416.0362 12.75826 5090.389       310.9277 5432.179       501.2396 4876.609       396.4142 428.9012 19.98172 406.7757 16.65186 22.12549       26.01064 
1 1 1 16  6  3  o 566.6023 21.87213 9483.688       725.4434 9483.688       725.4434 0.000000       0.000000 566.6023 21.87213 ?        ?        0.000000       21.87213 
1 1 1 16  6  4  o 107.0878 37.50431 304.8544       290.7153 304.8544       290.7153 0.000000       0.000000 107.0878 37.50431 ?        ?        0.000000       37.50431 
1 1 1 16  6  5  o 604.5907 22.78281 10805.36       806.3835 10805.36       806.3835 0.000000       0.000000 604.5907 22.78281 ?        ?        0.000000       22.78281 
1 1 1 16  6  6  o 269.1605 21.84200 2151.642       341.8294 2151.642       341.8294 0.000000       0.000000 269.1605 21.84200 ?        ?        0.000000       21.84200 
1 1 1 16  6  7  o 82.61607 34.54024 40.75392       279.8883 40.75392       279.8883 0.000000       0.000000 82.61607 34.54024 ?        ?        0.000000       34.54024 
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 o 854.6198 29.78009 21794.71       1490.340 21794.71       1490.340 0.000000       0.000000 854.6198 29.78009 ?        ?        0.000000       29.78009 
1 1 1 16  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  6  14 o 352.6557 17.08440 3680.739       352.2955 0.000000       0.000000 3680.739       352.2955 ?        ?        352.6557 17.08440 0.000000       17.08440 
1 1 1 16  6  15 o 112.1556 28.93318 391.0139       191.5670 -89.07829      278.5508 821.8589       263.8776 73.11796 32.47654 163.4385 28.56896 -90.32058      43.25403 
1 1 1 16  6  16 o 232.1732 13.85906 1595.031       187.8517 1610.004       271.4936 1581.278       260.1916 232.1158 20.14285 230.1649 19.45751 1.950928       28.00588 
1 1 1 16  6  17 f 405.6278 10.54009 4844.959       250.5269 4724.042       354.7969 4965.200       353.8022 399.6381 15.16531 409.8215 14.74428 -10.18341      21.15137 
1 1 1 16  6  18 o 37.29140 18.39601 -313.8038      144.7022 -296.2948      228.2249 -325.5740      187.1217 53.97815 25.77177 45.31802 22.05005 8.660130       33.91738 
1 1 1 16  6  19 o 472.5665 10.34330 6574.292       286.6636 6408.756       405.4585 6739.737       405.3487 465.3763 14.87475 477.3618 14.49553 -11.98550      20.76966 
1 1 1 16  6  20 o 68.73799 25.88257 106.8463       141.9546 -78.39664      210.1902 262.1953       192.4846 62.61950 27.98643 93.98434 30.51905 -31.36484      41.40837 
1 1 1 16  6  21 o 160.9718 15.30424 774.0487       142.7453 577.9954       198.4751 984.1245       205.4504 136.4236 25.75027 180.7029 19.70503 -44.27925      32.42476 
1 1 1 16  6  22 o 297.1685 10.18682 2604.380       177.2757 2811.768       263.2407 2432.272       239.8062 307.8759 14.62074 286.3656 14.32419 21.51028       20.46824 
1 1 1 16  6  23 o 146.5544 17.81522 647.6655       149.9814 958.4196       219.6680 376.3012       205.2743 177.7547 21.50838 109.3869 30.73340 68.36781       37.51203 
1 1 1 16  6  24 f 577.0891 9.683245 9806.214       327.7285 9818.500       545.9171 9799.291       409.7862 575.1000 16.20189 576.2104 12.12623 -1.110352      20.23726 
1 1 1 16  6  25 o 402.1249 9.316621 4759.725       219.7202 4650.889       342.9247 4835.522       286.1792 396.1010 14.78786 404.6203 12.07330 -8.519226      19.09046 
1 1 1 16  6  26 o 206.3981 13.67701 1264.892       164.6231 1383.729       258.6765 1183.999       213.4208 214.2279 20.85233 198.6154 18.53607 15.61258       27.89992 
1 1 1 16  6  27 o 48.09878 22.21060 -112.4133      146.5165 -35.64433      216.3893 -177.4048      199.1001 66.46041 29.10563 54.42184 25.38919 12.03857       38.62316 
1 1 1 16  6  28 o 368.3465 9.222852 3998.381       199.0814 3953.031       317.3239 4027.817       255.6532 364.8153 14.86241 369.1155 11.82495 -4.300171      18.99265 
1 1 1 16  6  29 o 153.7547 15.74341 709.8900       139.9615 807.8780       231.2051 653.2113       175.8411 161.3962 25.25333 146.0355 21.14572 15.36072       32.93740 
1 1 1 16  6  30 o 286.9147 9.546231 2430.571       160.4095 2444.571       260.2764 2421.996       203.6926 286.1275 15.56912 285.7951 12.18055 0.3323669      19.76773 
1 1 1 16  6  31 o 80.31841 24.36017 199.0664       124.7156 341.4485       207.4166 118.4404       156.0822 103.6145 31.41316 71.34626 27.07793 32.26822       41.47289 
1 1 1 16  6  32 o 87.86772 23.76985 243.8623       125.4304 255.6476       186.4469 234.1188       169.5284 91.41183 30.05890 87.64950 28.65376 3.762337       41.52801 
1 1 1 16  6  33 o 289.5799 9.215334 2478.914       156.3064 2527.894       226.1892 2434.145       216.2470 291.1787 13.28026 285.8394 12.93314 5.339386       18.53730 
1 1 1 16  6  34 o 49.28913 21.78952 -29.13186      123.9421 96.81788       196.3952 -112.4944      159.7783 73.21658 29.58226 50.12397 23.16288 23.09261       37.57166 
1 1 1 16  6  35 o 327.6456 8.486498 3176.770       162.9362 3379.108       242.1983 3009.488       220.2198 336.2606 12.30204 317.5311 11.84628 18.72952       17.07848 
1 1 1 16  6  36 o 128.8999 15.92023 511.1075       117.7967 677.3782       169.9991 357.5372       163.3776 146.6983 20.30294 103.4870 26.73144 43.21127       33.56753 
1 1 1 16  6  37 o 189.8822 11.38300 1082.258       126.1808 901.9663       175.9873 1272.993       181.0120 170.3942 17.87652 204.1894 15.22513 -33.79515      23.48137 
1 1 1 16  6  38 o 83.78056 22.55520 231.3262       113.2671 -14.37705      170.0494 427.2713       151.8577 57.81868 25.54314 113.8033 23.53022 -55.98461      34.72929 
1 1 1 16  6  39 o 129.4600 16.08012 522.0530       119.4652 442.7113       171.4116 596.9941       166.5903 113.8387 26.21589 135.5415 21.68774 -21.70288      34.02398 
1 1 1 16  6  40 o 60.42172 23.15633 94.64642       114.8590 49.29295       172.0669 131.0979       154.2586 62.65852 26.68212 69.19196 26.75237 -6.533447      37.78392 
1 1 1 16  6  41 o 191.2640 11.33405 1107.229       126.5661 1050.059       188.6069 1154.064       170.7111 182.1019 17.89079 192.9180 15.21122 -10.81610      23.48322 
1 1 1 16  6  42 o 46.43238 21.12375 -47.40788      126.0367 -75.97767      184.2030 -22.25819      172.8262 54.26778 25.00345 56.21442 25.23123 -1.946636      35.52165 
1 1 1 16  6  43 o 40.33224 19.29168 -143.6539      129.1321 -356.6174      199.0876 11.00931       169.6622 43.57397 21.51073 57.97488 25.56727 -14.40090      33.41253 
1 1 1 16  6  44 o 42.44809 19.87592 -91.19042      123.8743 71.86489       199.1438 -194.0988      158.2067 66.03348 28.42354 43.10355 20.80528 22.92992       35.22439 
1 1 1 16  6  45 o 68.28997 25.07734 150.5160       131.6819 146.0600       211.1001 153.3543       168.4789 72.85813 30.19034 70.81038 27.79198 2.047752       41.03475 
1 1 1 16  6  46 o 39.71043 19.25694 -188.5016      139.5633 -413.4838      223.8718 -45.48304      178.4932 44.95996 22.30442 54.37904 24.89105 -9.419079      33.42233 
1 1 1 16  7  0  o 294.6183 29.16297 2596.659       497.2931 0.000000       0.000000 2596.659       497.2931 ?        ?        294.6183 29.16297 0.000000       29.16297 
1 1 1 16  7  1  o 636.0824 17.37859 11918.28       647.6962 0.000000       0.000000 11918.28       647.6962 ?        ?        636.0824 17.37859 0.000000       17.37859 
1 1 1 16  7  2  o 396.1491 14.49774 4620.284       336.2608 4838.661       461.3931 4372.898       491.0835 404.7762 19.49325 384.3926 21.87390 20.38358       29.29939 
1 1 1 16  7  3  o 569.3044 15.63175 9540.987       521.4244 9538.752       721.5944 9543.430       754.3038 568.2222 21.69316 568.1655 22.68270 0.5676270E-01  31.38627 
1 1 1 16  7  4  o 533.3275 21.02145 8401.750       656.2292 8401.750       656.2292 0.000000       0.000000 533.3275 21.02145 ?        ?        0.000000       21.02145 
1 1 1 16  7  5  o 111.7560 36.28769 361.4870       272.1300 361.4870       272.1300 0.000000       0.000000 111.7560 36.28769 ?        ?        0.000000       36.28769 
1 1 1 16  7  6  o 272.2183 21.71110 2200.946       343.7466 2200.946       343.7466 0.000000       0.000000 272.2183 21.71110 ?        ?        0.000000       21.71110 
1 1 1 16  7  7  o 200.3245 26.24215 1208.351       300.9013 1208.351       300.9013 0.000000       0.000000 200.3245 26.24215 ?        ?        0.000000       26.24215 
1 1 1 16  7  8  o 670.7607 24.28320 13333.25       953.6890 13333.25       953.6890 0.000000       0.000000 670.7607 24.28320 ?        ?        0.000000       24.28320 
1 1 1 16  7  9  o 514.3491 13.51119 7787.089       407.2169 7787.089       407.2169 0.000000       0.000000 514.3491 13.51119 ?        ?        0.000000       13.51119 
1 1 1 16  7  10 o 556.8713 17.72445 9154.425       578.1289 9154.425       578.1289 0.000000       0.000000 556.8713 17.72445 ?        ?        0.000000       17.72445 
1 1 1 16  7  11 o 422.5521 20.96323 5293.322       517.8820 5293.322       517.8820 0.000000       0.000000 422.5521 20.96323 ?        ?        0.000000       20.96323 
1 1 1 16  7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  7  13 o 152.4084 34.11374 725.5612       297.3036 725.5612       297.3036 0.000000       0.000000 152.4084 34.11374 ?        ?        0.000000       34.11374 
1 1 1 16  7  14 o 634.0571 12.60186 11836.15       468.6122 12338.40       696.0071 11419.68       633.7892 645.6615 18.39930 621.4418 17.40692 24.21973       25.32854 
1 1 1 16  7  15 o 355.7863 17.01299 3749.876       353.9650 3749.876       353.9650 0.000000       0.000000 355.7863 17.01299 ?        ?        0.000000       17.01299 
1 1 1 16  7  16 o 382.9184 10.78857 4318.168       242.0401 4243.747       349.2797 4386.922       335.7160 378.6804 15.76160 385.2141 14.88805 -6.533722      21.68138 
1 1 1 16  7  17 o 270.1136 12.31999 2154.572       194.6537 2243.047       301.6537 2091.446       254.8026 274.3486 18.86282 265.3893 16.45169 8.959320       25.02927 
1 1 1 16  7  18 o 249.8368 11.75042 1843.252       171.6887 1758.742       264.8733 1904.488       225.4679 242.7054 18.75373 253.3643 15.24411 -10.65886      24.16786 
1 1 1 16  7  19 o 270.2542 10.86844 2154.721       171.9109 2302.668       266.7016 2049.557       224.8566 278.3425 16.41070 262.9144 14.64061 15.42810       21.99224 
1 1 1 16  7  20 o 130.5437 30.08931 537.6570       225.6418 537.6570       225.6418 0.000000       0.000000 130.5437 30.08931 ?        ?        0.000000       30.08931 
1 1 1 16  7  21 o 71.02766 25.56976 129.7910       135.9676 25.91488       202.4202 215.1915       183.5380 69.23610 29.18633 87.14617 29.83599 -17.91007      41.73762 
1 1 1 16  7  22 o 461.1101 10.14383 6263.385       274.3199 6123.386       383.4985 6410.074       392.5537 454.6581 14.40046 465.1879 14.40602 -10.52979      20.36925 
1 1 1 16  7  23 o 119.8026 20.16562 439.5371       136.6594 609.2559       221.5119 335.2447       173.6436 139.4254 28.06218 103.3822 27.96786 36.04321       39.61927 
1 1 1 16  7  24 o 136.0357 18.48455 560.3922       143.6612 696.7591       229.3558 472.3468       184.2928 149.6364 27.13387 122.8425 26.36920 26.79392       37.83625 
1 1 1 16  7  25 f 177.6453 16.26200 943.5807       167.5478 869.8813       247.6253 1005.811       227.5432 167.9972 25.96962 182.1324 21.73044 -14.13516      33.86197 
1 1 1 16  7  26 o 63.52405 25.69115 56.68941       148.2892 85.76906       239.4764 38.60495       188.8517 79.50160 32.46419 68.21033 28.43387 11.29128       43.15563 
1 1 1 16  7  27 o 331.2113 9.352067 3232.794       181.4798 3322.995       290.1164 3174.808       232.6095 334.5669 14.82239 327.6746 12.12505 6.892303       19.14994 
1 1 1 16  7  28 o 153.7815 15.99290 709.9949       142.1344 575.0653       226.4148 797.7521       182.5966 134.6053 29.49733 162.2147 19.58966 -27.60941      35.40971 
1 1 1 16  7  29 o 357.9525 9.255801 3778.524       194.1447 3560.578       304.9220 3927.114       251.7732 345.8589 15.06894 364.2907 11.80006 -18.43182      19.13934 
1 1 1 16  7  30 o 349.1324 9.074905 3595.901       185.6583 3659.326       301.8032 3557.286       235.4876 350.5025 14.71463 346.5944 11.60135 3.908142       18.73797 
1 1 1 16  7  31 o 108.4824 21.53357 367.8265       132.1667 360.8310       216.5924 371.9766       166.8266 106.2095 32.07937 107.9309 26.54296 -1.721390      41.63670 
1 1 1 16  7  32 o 38.52083 18.56152 -184.0751      124.6344 -95.56333      213.2599 -229.9882      153.5951 61.09348 27.66831 42.46865 20.49907 18.62483       34.43468 
1 1 1 16  7  33 o 178.9401 13.24166 958.1026       137.9789 1003.989       236.9250 934.5527       169.7322 179.7204 23.00509 175.6941 16.67190 4.026337       28.41103 
1 1 1 16  7  34 o 122.8108 17.52652 464.1723       122.6590 562.7739       194.1874 398.7154       158.2183 132.1902 25.97471 111.2212 24.87965 20.96899       35.96780 
1 1 1 16  7  35 o 258.0650 9.181988 1975.431       138.7470 2161.557       205.8301 1820.423       187.8378 268.3943 13.11602 246.2836 13.05119 22.11072       18.50307 
1 1 1 16  7  36 o 205.0316 11.41352 1259.339       136.7016 1078.621       207.6709 1397.521       181.5933 186.0518 19.31293 214.6516 14.51026 -28.59970      24.15650 
1 1 1 16  7  37 o 154.8321 12.94666 726.3445       116.4874 724.8544       176.8384 727.4867       154.8239 151.1663 20.47242 152.9322 17.58134 -1.765930      26.98562 
1 1 1 16  7  38 o 173.6605 11.93981 910.0909       120.8642 761.1470       173.4058 1050.815       168.5532 155.1243 19.48958 184.8196 15.69869 -29.69528      25.02584 
1 1 1 16  7  39 o 102.1782 19.13505 336.3178       110.4540 347.8102       170.3694 327.9848       145.0733 99.77245 27.98689 98.13290 25.10733 1.639549       37.59846 
1 1 1 16  7  40 o 53.75301 22.21177 45.15117       113.8307 96.40480       164.6002 -1.830028      157.5905 66.27949 26.97108 56.10939 24.69674 10.17009       36.57004 
1 1 1 16  7  41 o 86.92004 23.14148 257.2838       120.0524 138.2735       188.1689 338.9817       155.9055 72.37856 29.05687 98.12614 26.48162 -25.74759      39.31384 
1 1 1 16  7  42 o 221.7131 10.92222 1487.282       141.5839 1494.939       217.2095 1481.626       186.6965 217.4595 17.17062 218.6375 14.64443 -1.177963      22.56745 
1 1 1 16  7  43 o 47.05255 21.55250 -56.24189      134.1341 47.11546       224.2697 -113.8059      167.3691 66.96687 29.46928 49.04031 23.00764 17.92656       37.38703 
1 1 1 16  7  44 o 94.04108 24.45004 312.8729       136.0852 379.4029       233.4669 278.6367       167.4787 97.39162 33.63891 86.95754 28.48316 10.43408       44.07796 
1 1 1 16  7  45 o 137.1970 18.13424 611.7444       142.3437 538.1235       231.3036 656.6212       180.5895 116.0756 32.62774 138.2794 23.08120 -22.20387      39.96638 
1 1 1 16  7  46 o 51.78136 22.95811 -0.6838967     138.5753 -62.67862      196.9299 60.12291       195.0340 55.71399 25.73513 63.88958 27.81220 -8.175587      37.89216 
1 1 1 16  8  0  o 641.7107 25.18890 12193.54       946.1382 0.000000       0.000000 12193.54       946.1382 ?        ?        641.7107 25.18890 0.000000       25.18890 
1 1 1 16  8  1  o 514.0792 12.33298 7765.069       371.8335 7865.935       599.4650 7701.994       474.0451 516.2183 19.83759 511.4164 15.82404 4.801971       25.37578 
1 1 1 16  8  2  o 702.0916 17.60784 14522.90       724.4484 15177.64       1042.523 13911.50       1007.427 716.0953 24.86129 685.4773 25.10176 30.61804       35.32962 
1 1 1 16  8  3  o 119.8309 28.12825 442.4269       194.2695 578.4146       244.9513 211.8721       318.9460 136.8872 31.20728 100.9236 38.61016 35.96358       49.64513 
1 1 1 16  8  4  o 771.8275 26.62970 17660.34       1203.610 17660.34       1203.610 0.000000       0.000000 771.8275 26.62970 ?        ?        0.000000       26.62970 
1 1 1 16  8  5  o 152.3367 32.01810 715.6495       276.9560 715.6495       276.9560 0.000000       0.000000 152.3367 32.01810 ?        ?        0.000000       32.01810 
1 1 1 16  8  6  o 426.5706 19.28653 5376.465       481.2500 5376.465       481.2500 0.000000       0.000000 426.5706 19.28653 ?        ?        0.000000       19.28653 
1 1 1 16  8  7  o 284.6467 21.31455 2406.191       353.2383 2406.191       353.2383 0.000000       0.000000 284.6467 21.31455 ?        ?        0.000000       21.31455 
1 1 1 16  8  8  o 207.0576 25.26108 1288.937       300.4136 1288.937       300.4136 0.000000       0.000000 207.0576 25.26108 ?        ?        0.000000       25.26108 
1 1 1 16  8  9  o 357.3454 14.03888 3763.571       293.6468 3763.571       293.6468 0.000000       0.000000 357.3454 14.03888 ?        ?        0.000000       14.03888 
1 1 1 16  8  10 o 85.54727 35.16071 77.14041       283.2193 77.14041       283.2193 0.000000       0.000000 85.54727 35.16071 ?        ?        0.000000       35.16071 
1 1 1 16  8  11 o 693.4950 25.17586 14306.01       1022.249 14306.01       1022.249 0.000000       0.000000 693.4950 25.17586 ?        ?        0.000000       25.17586 
1 1 1 16  8  12 o 374.8069 17.54970 4156.644       384.6983 4156.644       384.6983 0.000000       0.000000 374.8069 17.54970 ?        ?        0.000000       17.54970 
1 1 1 16  8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  8  14 o 178.7772 18.83636 956.2238       194.5320 833.3608       277.7982 1074.443       272.4980 164.2431 29.94265 188.2182 25.32832 -23.97502      39.21844 
1 1 1 16  8  15 o 59.02410 28.18694 -355.5579      273.3116 -355.5579      273.3116 0.000000       0.000000 59.02410 28.18694 ?        ?        0.000000       28.18694 
1 1 1 16  8  16 o 519.2415 11.25648 7937.804       342.7855 7705.284       479.3507 8181.148       490.3813 510.2845 16.03726 525.8548 15.91908 -15.57034      22.59669 
1 1 1 16  8  17 o 251.2309 13.11284 1866.636       192.5372 1876.140       285.6656 1858.726       260.6305 250.5756 19.59448 249.7856 17.91016 0.7899323      26.54652 
1 1 1 16  8  18 o 299.9469 10.98080 2653.323       192.8392 2495.858       291.2600 2776.223       257.3153 289.6833 17.22152 306.2111 14.36835 -16.52780      22.42834 
1 1 1 16  8  19 o 213.0310 12.34809 1343.161       153.6129 1312.025       243.5445 1363.731       197.9559 208.9489 20.12268 214.0225 15.88420 -5.073578      25.63650 
1 1 1 16  8  20 o 106.1978 23.51365 351.0730       142.5798 442.9325       224.6877 289.1472       184.4817 118.3592 31.72520 97.14126 29.66103 21.21790       43.43115 
1 1 1 16  8  21 o 181.1165 13.74975 975.2720       144.9594 1093.818       219.1125 883.0018       193.3104 190.5162 19.90361 171.0356 19.62682 19.48065       27.95292 
1 1 1 16  8  22 o 214.9974 12.46547 1369.324       156.5042 1736.960       245.3400 1117.078       203.2224 241.1405 17.46631 192.9486 18.17290 48.19189       25.20568 
1 1 1 16  8  23 o 285.0522 10.02564 2396.257       167.3441 2600.729       286.0352 2289.849       206.3430 295.5645 16.56756 278.1679 12.68166 17.39655       20.86405 
1 1 1 16  8  24 f 422.6586 9.370393 5258.590       232.2726 5338.164       384.6090 5212.907       291.4169 424.1646 15.48689 420.1753 11.83768 3.989380       19.49293 
1 1 1 16  8  25 o 320.3008 10.94754 3027.638       205.3461 3487.001       325.2039 2723.033       264.8170 342.4993 16.23617 302.8958 14.95364 39.60355       22.07316 
1 1 1 16  8  26 o 33.99319 17.04499 -419.1381      146.6311 -313.1961      236.1180 -485.6418      187.0761 54.36834 26.02727 39.68630 19.80190 14.68204       32.70373 
1 1 1 16  8  27 o 222.2090 11.32345 1460.759       147.0810 1711.737       244.5361 1318.499       184.1054 239.1847 17.55475 210.3628 15.02154 28.82193       23.10446 
1 1 1 16  8  28 o 234.6794 10.81452 1628.539       148.4442 1742.086       248.7271 1565.719       185.0053 241.0935 17.71454 229.4939 13.80945 11.59953       22.46120 
1 1 1 16  8  29 f 195.4850 13.57628 1138.416       154.6813 1722.447       270.5801 854.9006       188.5239 238.8791 19.48283 167.7603 19.52588 71.11877       27.58334 
1 1 1 16  8  30 o 166.1253 22.59552 850.3689       214.4439 774.0815       233.1204 1270.059       546.7869 157.0804 26.22933 190.0816 48.80177 -33.00117      55.40388 
1 1 1 16  8  31 o 162.8393 14.32326 794.8321       135.3966 851.4428       220.8571 760.7450       171.3787 165.7475 23.36800 158.0277 18.86361 7.719818       30.03163 
1 1 1 16  8  32 o 172.1847 14.57648 889.8622       145.8149 971.8582       238.3134 840.7957       184.3507 176.8917 23.55659 165.9015 19.30750 10.99022       30.45805 
1 1 1 16  8  33 o 60.56588 24.47480 58.29147       134.4570 124.1096       221.5717 19.92635       169.1647 78.97835 31.59048 62.26719 26.48372 16.71116       41.22313 
1 1 1 16  8  34 o 171.9848 13.34137 888.7742       133.5161 949.9850       226.1460 856.0214       165.4245 174.0642 22.69258 167.4893 17.07953 6.574844       28.40183 
1 1 1 16  8  35 o 196.4851 10.77772 1152.175       123.7202 1281.494       186.7748 1051.070       165.1480 205.3308 15.62745 186.0017 15.27374 19.32913       21.85187 
1 1 1 16  8  36 o 62.08446 23.22446 100.0578       113.8967 115.9678       167.1994 86.28298       155.5766 70.30817 27.65864 65.63335 26.39590 4.674820       38.23276 
1 1 1 16  8  37 o 60.07307 23.50171 81.74220       120.1502 168.6863       204.3002 35.77092       148.5566 78.92567 30.71220 59.01745 24.94742 19.90821       39.56783 
1 1 1 16  8  38 o 147.4390 14.16163 665.5178       120.9509 587.4796       189.2624 719.3907       157.2519 132.6373 25.25243 151.4184 18.06371 -18.78108      31.04808 
1 1 1 16  8  39 f 116.4365 17.03366 427.7164       112.8775 649.1994       188.6762 304.2558       140.8676 139.7094 23.88474 94.37788 25.04024 45.33156       34.60484 
1 1 1 16  8  40 o 62.51199 26.07094 66.73494       158.8789 170.0391       446.8268 51.78378       169.9878 91.44138 40.84063 62.49706 26.56355 28.94432       48.71939 
1 1 1 16  8  41 o 93.90737 22.45629 298.5323       122.0039 162.9493       182.5217 408.0404       164.0344 74.39857 29.00677 107.8401 26.19846 -33.44150      39.08647 
1 1 1 16  8  42 o 56.88874 23.29615 63.54971       123.7499 -318.8004      206.2282 278.6924       154.6966 46.10369 22.58589 88.24982 27.20147 -42.14613      35.35594 
1 1 1 16  8  43 o 125.1960 18.91202 511.0374       134.5355 326.7039       219.4102 622.0988       170.3085 92.37734 32.56351 135.9922 22.11261 -43.61481      39.36178 
1 1 1 16  8  44 f 89.15330 24.82415 283.2917       134.5694 661.5196       234.1821 96.82652       164.4279 131.7535 30.85297 64.64264 26.70210 67.11082       40.80328 
1 1 1 16  8  45 o 67.41005 25.74103 139.9461       141.5916 -209.6585      224.4505 371.0366       182.4833 52.31003 25.12968 98.62733 29.36672 -46.31731      38.65107 
1 1 1 16  9  0  o 522.3828 14.39741 8030.954       440.6658 8303.175       610.8470 7735.553       636.3245 530.3472 19.67320 511.5844 21.25484 18.76273       28.96210 
1 1 1 16  9  1  o 744.9794 18.19653 16349.63       795.0299 17133.57       1150.832 15633.93       1099.601 760.4316 25.84239 726.3483 25.85431 34.08325       36.55509 
1 1 1 16  9  2  f 481.0350 13.86747 6809.433       390.8148 6816.419       534.9106 6801.435       572.3813 480.5362 19.01792 479.7702 20.38886 0.7659912      27.88166 
1 1 1 16  9  3  o 260.6006 15.26803 2004.953       232.3284 2276.946       304.4503 1625.726       359.4907 277.3154 18.83110 232.7605 26.82470 44.55482       32.77461 
1 1 1 16  9  4  o 247.7557 15.36965 1813.195       222.2258 1558.365       276.6161 2277.020       373.1894 228.8600 20.83727 276.5990 23.21945 -47.73900      31.19831 
1 1 1 16  9  5  o 853.1523 29.09586 21649.07       1453.692 21649.07       1453.692 0.000000       0.000000 853.1523 29.09586 ?        ?        0.000000       29.09586 
1 1 1 16  9  6  o 405.9167 18.86655 4869.982       447.9096 4869.982       447.9096 0.000000       0.000000 405.9167 18.86655 ?        ?        0.000000       18.86655 
1 1 1 16  9  7  o 817.6815 28.07501 19894.82       1344.342 19894.82       1344.342 0.000000       0.000000 817.6815 28.07501 ?        ?        0.000000       28.07501 
1 1 1 16  9  8  o 606.7885 22.54775 10911.24       801.0046 10911.24       801.0046 0.000000       0.000000 606.7885 22.54775 ?        ?        0.000000       22.54775 
1 1 1 16  9  9  o 169.0708 23.41061 862.6230       225.9089 862.6230       225.9089 0.000000       0.000000 169.0708 23.41061 ?        ?        0.000000       23.41061 
1 1 1 16  9  10 f 522.3252 17.46762 8059.383       534.3353 8059.383       534.3353 0.000000       0.000000 522.3252 17.46762 ?        ?        0.000000       17.46762 
1 1 1 16  9  11 o 413.3879 19.46839 5063.973       470.6700 5063.973       470.6700 0.000000       0.000000 413.3879 19.46839 ?        ?        0.000000       19.46839 
1 1 1 16  9  12 o 260.7782 21.91902 2030.783       332.1303 2030.783       332.1303 0.000000       0.000000 260.7782 21.91902 ?        ?        0.000000       21.91902 
1 1 1 16  9  13 o 419.7851 16.26833 5210.671       399.7586 5210.671       399.7586 0.000000       0.000000 419.7851 16.26833 ?        ?        0.000000       16.26833 
1 1 1 16  9  14 o 777.7893 14.21879 17841.25       648.5975 17773.95       920.2567 17907.69       914.2834 773.7814 20.29623 776.7866 20.08598 -3.005188      28.55492 
1 1 1 16  9  15 o 340.7007 17.87416 3446.491       355.8997 3446.491       355.8997 0.000000       0.000000 340.7007 17.87416 ?        ?        0.000000       17.87416 
1 1 1 16  9  16 o 537.0667 11.45977 8495.088       360.9564 7793.989       476.4434 9439.634       553.0099 513.1727 15.84960 564.5140 16.72194 -51.34131      23.03981 
1 1 1 16  9  17 o 109.4777 35.84625 357.6740       265.2703 357.6740       265.2703 0.000000       0.000000 109.4777 35.84625 ?        ?        0.000000       35.84625 
1 1 1 16  9  18 o 490.1759 10.47162 7075.005       301.0345 7270.398       441.8910 6905.797       411.2165 495.5301 15.22334 483.1414 14.52912 12.38861       21.04390 
1 1 1 16  9  19 o 56.69197 24.05882 7.456185       139.0727 44.93394       222.7890 -16.47171      178.0161 73.92544 30.85485 61.67924 26.71233 12.24619       40.81139 
1 1 1 16  9  20 o 191.7628 12.70722 1090.451       142.1048 1225.543       236.2517 1013.867       177.8812 201.7097 20.24429 184.1264 16.65248 17.58328       26.21329 
1 1 1 16  9  21 o 180.3344 13.88312 967.3352       145.7010 1385.222       240.5117 725.0652       183.1288 214.7496 19.30221 154.4774 20.73676 60.27214       28.32999 
1 1 1 16  9  22 o 128.4679 20.23668 504.0750       147.4310 925.0728       246.9855 271.0292       183.7605 173.5846 24.97935 94.50829 29.72869 79.07633       38.82993 
1 1 1 16  9  23 o 146.0741 16.92356 641.7576       142.3031 1152.906       258.9717 420.6622       170.3212 194.7215 23.12841 115.9261 25.72408 78.79537       34.59265 
1 1 1 16  9  24 o 345.7670 9.891199 3523.664       200.3717 3843.320       342.2383 3356.943       247.1617 359.5951 16.27012 336.9622 12.52871 22.63290       20.53498 
1 1 1 16  9  25 o 261.2303 11.55504 2016.830       176.5915 2131.728       298.8008 1955.157       218.9139 266.7816 19.22640 256.5968 14.60728 10.18488       24.14595 
1 1 1 16  9  26 o 64.88572 25.85174 69.75394       147.7989 46.49131       258.2186 81.08864       180.2450 78.65369 33.04911 70.99867 28.46060 7.655022       43.61478 
1 1 1 16  9  27 o 280.3571 10.18203 2320.073       167.1377 2186.485       271.2724 2401.814       212.1983 270.5070 17.18813 284.7365 12.73941 -14.22958      21.39450 
1 1 1 16  9  28 o 162.1377 14.84861 786.6556       139.6292 747.9659       233.9002 808.0768       174.0426 154.6871 26.75016 163.4703 18.47724 -8.783218      32.51122 
1 1 1 16  9  29 o 196.4510 12.58857 1147.580       144.2745 1281.346       252.1793 1082.494       175.9067 205.1168 21.27166 189.9775 15.93479 15.13925       26.57821 
1 1 1 16  9  30 o 214.9397 11.87449 1371.898       149.1046 1679.454       249.9393 1201.966       185.7849 235.9935 18.19909 200.1118 15.96244 35.88165       24.20757 
1 1 1 16  9  31 o 200.7938 19.32238 1224.994       224.7359 1267.925       247.5282 1023.556       536.1796 203.6730 21.02424 168.6848 50.36535 34.98825       54.57735 
1 1 1 16  9  32 o 118.1388 21.82759 437.1963       145.6642 457.8274       240.2379 425.2019       183.1767 117.8195 33.29879 114.7558 27.56386 3.063713       43.22702 
1 1 1 16  9  33 o 57.48889 23.97908 31.68925       134.4308 -160.7295      216.3942 152.6192       171.5493 57.36954 26.66475 76.55127 28.52925 -19.18173      39.05031 
1 1 1 16  9  34 o 46.14961 20.77630 -48.05947      118.1769 -33.95683      195.9090 -56.12657      148.1709 61.60483 27.30627 51.66330 23.26076 9.941528       35.87054 
1 1 1 16  9  35 o 135.6482 15.76189 564.2228       123.0606 604.8558       205.9598 541.6625       153.4669 135.3424 26.89555 130.8834 20.67914 4.458969       33.92636 
1 1 1 16  9  36 o 164.7736 12.55858 819.5796       120.4466 972.8710       183.3291 703.1605       159.7661 177.1190 17.89396 150.0236 18.55326 27.09537       25.77629 
1 1 1 16  9  37 o 122.9908 16.02899 469.2215       112.8708 769.0985       179.9863 274.8522       144.9044 155.7214 20.18218 90.41387 25.96317 65.30749       32.88475 
1 1 1 16  9  38 o 222.9521 9.765325 1485.790       127.3779 1540.742       195.3405 1445.139       168.0116 224.2408 14.93863 218.1799 13.19192 6.060898       19.92961 
1 1 1 16  9  39 o 134.1576 16.14478 562.5558       124.4775 744.0048       227.2494 484.7778       148.7832 146.9261 27.37970 121.5011 21.67477 25.42500       34.92053 
1 1 1 16  9  40 o 59.47575 23.74602 79.37629       124.9618 -74.26824      201.2438 175.7942       159.4200 57.32507 26.31032 74.83280 27.57326 -17.50773      38.11190 
1 1 1 16  9  41 o 57.05886 24.96891 12.64573       158.9772 410.5940       480.1099 -36.36054      168.4819 102.1223 44.04685 54.64021 24.68391 47.48205       50.49179 
1 1 1 16  9  42 o 105.6515 22.22966 378.5633       133.3702 248.5020       228.3608 445.8919       164.3036 84.52684 32.58481 112.6401 25.47090 -28.11329      41.35863 
1 1 1 16  9  43 o 36.50813 17.92668 -232.1083      132.2831 -75.70737      224.2994 -315.5193      163.8023 59.18506 27.38318 39.13644 19.35526 20.04862       33.53304 
1 1 1 16  9  44 o 178.4444 14.01557 991.2227       145.5014 953.0261       223.5776 1019.285       191.6357 166.6888 23.52345 177.0560 18.73911 -10.36725      30.07502 
1 1 1 16  9  45 o 57.33344 24.07014 58.19676       136.7883 -125.7868      213.3206 186.6750       178.2617 54.63671 25.73966 74.91354 28.81280 -20.27683      38.63557 
1 1 1 16  10 0  o 717.1798 26.53513 15262.48       1114.167 0.000000       0.000000 15262.48       1114.167 ?        ?        717.1798 26.53513 0.000000       26.53513 
1 1 1 16  10 1  o 498.1071 13.79697 7302.121       402.6599 7532.637       560.8441 7056.896       578.4586 505.1037 18.96633 488.6389 20.22898 16.46481       27.72964 
1 1 1 16  10 2  o 708.7999 17.54114 14802.22       729.1754 15152.18       1031.214 14452.26       1031.206 715.0789 24.62594 698.1686 25.22604 16.91028       35.25323 
1 1 1 16  10 3  o 395.6914 13.30453 4609.308       308.3106 4660.708       410.8229 4543.033       466.4986 397.3029 17.67547 391.8024 20.37168 5.500488       26.97087 
1 1 1 16  10 4  o 339.6784 13.84384 3399.604       275.2099 3490.541       361.6091 3274.420       424.2682 343.6400 18.00541 332.1576 21.90161 11.48236       28.35270 
1 1 1 16  10 5  o 291.0694 18.55440 2508.847       315.0846 2508.847       315.0846 0.000000       0.000000 291.0694 18.55440 ?        ?        0.000000       18.55440 
1 1 1 16  10 6  o 452.8035 19.30374 6062.861       511.4511 6062.861       511.4511 0.000000       0.000000 452.8035 19.30374 ?        ?        0.000000       19.30374 
1 1 1 16  10 7  o 355.4923 18.35286 3738.766       381.3394 3738.766       381.3394 0.000000       0.000000 355.4923 18.35286 ?        ?        0.000000       18.35286 
1 1 1 16  10 8  o 282.5572 15.16858 2358.419       250.4419 2358.419       250.4419 0.000000       0.000000 282.5572 15.16858 ?        ?        0.000000       15.16858 
1 1 1 16  10 9  o 460.8207 13.23221 6254.875       357.2441 6254.875       357.2441 0.000000       0.000000 460.8207 13.23221 ?        ?        0.000000       13.23221 
1 1 1 16  10 10 o 559.6335 13.62814 9221.727       447.2917 9221.727       447.2917 0.000000       0.000000 559.6335 13.62814 ?        ?        0.000000       13.62814 
1 1 1 16  10 11 o 666.2095 23.94564 13209.33       934.0728 13209.33       934.0728 0.000000       0.000000 666.2095 23.94564 ?        ?        0.000000       23.94564 
1 1 1 16  10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  10 14 o 306.9188 19.22167 2803.703       344.2542 2803.703       344.2542 0.000000       0.000000 306.9188 19.22167 ?        ?        0.000000       19.22167 
1 1 1 16  10 15 o 81.41594 29.51407 168.0700       181.5428 222.6588       263.0253 118.4041       250.8852 95.32455 35.36418 84.29648 33.64961 11.02808       48.81517 
1 1 1 16  10 16 o 609.1339 12.12122 10936.06       433.0216 10533.08       590.0155 11406.51       637.5084 596.1473 16.89264 620.1331 17.54637 -23.98578      24.35644 
1 1 1 16  10 17 o 223.9442 14.16927 1487.352       185.1421 1286.324       263.4056 1683.643       260.2834 206.4687 22.09625 237.3374 18.85433 -30.86873      29.04703 
1 1 1 16  10 18 o 240.8036 12.20637 1714.782       171.8230 1637.977       261.0051 1773.525       228.2620 233.8811 19.19727 244.1722 16.02858 -10.29112      25.00900 
1 1 1 16  10 19 o 298.6860 10.25073 2630.755       179.2983 2881.737       276.7838 2449.281       235.3561 311.6081 15.19120 287.4853 14.00127 24.12280       20.65934 
1 1 1 16  10 20 o 379.5537 9.630142 4244.286       214.1932 4435.060       330.7523 4106.492       281.0987 386.8289 14.60542 372.6479 12.88140 14.18106       19.47431 
1 1 1 16  10 21 o 36.04634 17.74800 -277.7083      132.5408 -109.0179      212.9910 -384.3125      169.3181 60.96425 27.62618 39.59774 19.60053 21.36651       33.87310 
1 1 1 16  10 22 o 93.74126 23.90267 274.2178       131.7952 315.2419       226.1714 253.1251       162.1753 102.1685 33.07462 91.02449 27.81331 11.14404       43.21471 
1 1 1 16  10 23 o 275.4421 10.38337 2238.461       167.4330 2420.346       307.1133 2161.536       199.7252 284.5803 18.50137 270.2612 12.63580 14.31912       22.40455 
1 1 1 16  10 24 o 337.9764 10.82668 3370.207       214.3243 3366.382       345.3878 3372.603       273.3098 336.1112 17.58274 337.4446 13.83964 -1.333374      22.37606 
1 1 1 16  10 25 o 39.58973 19.37388 -285.4405      150.5146 -388.7826      254.3815 -229.7715      186.7041 54.37394 26.27876 49.38901 23.50478 4.984932       35.25688 
1 1 1 16  10 26 o 337.3657 9.523531 3354.781       188.2412 3418.771       319.3391 3320.706       233.0325 338.9589 16.11014 335.1685 11.87379 3.790375       20.01308 
1 1 1 16  10 27 o 382.7153 9.378344 4315.123       210.5002 4157.385       344.8530 4408.797       265.7532 373.7550 15.76788 386.1629 11.74797 -12.40784      19.66318 
1 1 1 16  10 28 o 52.93859 22.96481 -13.47732      132.0140 -270.4572      239.6484 98.47657       158.1775 56.52344 26.82231 69.47793 27.02729 -12.95449      38.07770 
1 1 1 16  10 29 o 65.32295 25.22072 90.13048       136.9587 65.84060       241.0304 101.7127       166.4392 77.18292 32.14433 70.80211 27.67199 6.380814       42.41459 
1 1 1 16  10 30 o 107.6838 21.80749 363.0601       132.9951 355.1439       231.1168 366.9792       162.6174 105.7789 33.34892 107.2754 26.09976 -1.496529      42.34794 
1 1 1 16  10 31 o 151.9735 16.12795 697.8724       141.5546 470.1124       242.4168 815.7140       174.3706 119.6794 33.31618 163.7193 18.48303 -44.03989      38.09975 
1 1 1 16  10 32 f 303.3016 14.75681 2754.083       261.7052 2631.823       292.8503 3238.897       583.1631 295.5015 16.96936 317.7355 31.71831 -22.23398      35.97235 
1 1 1 16  10 33 o 72.51139 24.54922 155.5543       124.2068 225.4520       214.8564 120.4704       152.2196 88.38808 32.09852 70.38113 26.73399 18.00695       41.77345 
1 1 1 16  10 34 o 76.53591 23.72789 184.8214       117.5111 45.85574       195.1507 263.8722       147.1871 67.65647 28.59599 89.99433 26.26424 -22.33786      38.82706 
1 1 1 16  10 35 o 142.2439 15.06446 618.3926       123.7640 539.3516       200.1841 667.2982       157.4644 126.9616 27.66825 146.2421 18.79335 -19.28057      33.44730 
1 1 1 16  10 36 o 274.7019 9.264319 2245.135       149.0403 2055.324       234.8847 2373.065       192.8321 259.4710 15.50604 281.2243 11.71732 -21.75330      19.43535 
1 1 1 16  10 37 o 162.4615 12.81218 800.1204       121.0869 962.6271       204.6196 712.5448       150.2114 174.1620 20.42023 151.2682 17.23918 22.89375       26.72406 
1 1 1 16  10 38 o 112.9314 17.69919 403.8056       113.3761 547.4278       181.5921 312.0564       145.1401 127.5839 25.16336 95.69569 25.42970 31.88821       35.77519 
1 1 1 16  10 39 o 58.01533 23.04766 74.87522       117.1454 -48.96941      182.1977 162.1514       152.9510 56.36095 25.54458 72.94430 26.98479 -16.58335      37.15783 
1 1 1 16  10 40 o 79.44513 24.68175 214.6668       127.0736 196.5488       204.6299 226.0393       162.1216 79.54974 30.79724 81.41118 28.03548 -1.861443      41.64682 
1 1 1 16  10 41 o 204.3510 12.32660 1273.933       147.0438 1377.898       240.0677 1211.509       186.0224 206.1557 20.11124 196.4613 16.29135 9.694427       25.88185 
1 1 1 16  10 42 o 74.34237 25.45893 187.4286       133.6386 232.0196       224.3375 162.9010       166.3818 82.53967 32.16475 72.50603 27.84920 10.03365       42.54584 
1 1 1 16  10 43 o 51.87854 22.92635 -2.041920      137.0989 339.0735       223.6046 -207.5244      173.5471 93.38631 32.87717 45.12475 21.78329 48.26155       39.43882 
1 1 1 16  10 44 o 69.07211 26.07226 151.1994       144.2412 31.89893       232.9681 225.3618       183.6822 66.03471 29.49171 79.68313 29.55440 -13.64841      41.75193 
1 1 1 16  10 45 o 74.48947 26.42836 192.9530       144.7129 228.2251       236.0506 171.7137       183.1722 81.00146 32.53554 73.35806 28.92168 7.643410       43.53188 
1 1 1 16  11 0  o 625.7719 15.76572 11537.60       578.1420 11154.08       782.4204 11998.83       858.0335 613.9568 21.76403 636.4705 23.02458 -22.51367      31.68287 
1 1 1 16  11 1  o 265.2003 12.98043 2073.110       201.2762 2105.696       246.7710 2008.349       347.8911 266.9472 15.83337 259.5482 23.09562 7.399048       28.00185 
1 1 1 16  11 2  o 536.4100 14.47833 8473.754       455.0600 8485.908       617.1113 8459.269       673.7113 535.8280 19.67095 534.5692 21.53322 1.258789       29.16549 
1 1 1 16  11 3  o 237.7048 15.16149 1670.229       210.2619 1731.654       257.2743 1546.680       364.8743 241.6236 18.29130 226.4531 28.07437 15.17044       33.50734 
1 1 1 16  11 4  o 58.86318 25.56254 -25.00270      163.9335 -38.63704      191.7252 12.06717       316.1350 62.85184 27.46397 85.15063 36.21002 -22.29880      45.44706 
1 1 1 16  11 5  o 293.5682 13.93529 2541.954       239.2401 2534.326       301.0990 2555.017       394.0115 292.6176 17.62693 292.8439 23.12918 -0.2262878     29.08037 
1 1 1 16  11 6  o 894.4768 30.28684 23903.45       1586.525 23903.45       1586.525 0.000000       0.000000 894.4768 30.28684 ?        ?        0.000000       30.28684 
1 1 1 16  11 7  o 392.2233 13.19240 4532.122       303.0325 4532.122       303.0325 0.000000       0.000000 392.2233 13.19240 ?        ?        0.000000       13.19240 
1 1 1 16  11 8  o 651.2933 14.39571 12493.61       549.8704 12493.61       549.8704 0.000000       0.000000 651.2933 14.39571 ?        ?        0.000000       14.39571 
1 1 1 16  11 9  o 212.6520 17.08888 1343.204       211.3317 1343.204       211.3317 0.000000       0.000000 212.6520 17.08888 ?        ?        0.000000       17.08888 
1 1 1 16  11 10 o 421.6741 12.55257 5238.448       310.0818 5238.448       310.0818 0.000000       0.000000 421.6741 12.55257 ?        ?        0.000000       12.55257 
1 1 1 16  11 11 o 443.2063 12.66775 5788.761       328.9350 5788.761       328.9350 0.000000       0.000000 443.2063 12.66775 ?        ?        0.000000       12.66775 
1 1 1 16  11 12 o 433.9709 16.54122 5572.587       420.2260 5572.587       420.2260 0.000000       0.000000 433.9709 16.54122 ?        ?        0.000000       16.54122 
1 1 1 16  11 13 o 269.9576 20.49864 2175.971       322.1161 2175.971       322.1161 0.000000       0.000000 269.9576 20.49864 ?        ?        0.000000       20.49864 
1 1 1 16  11 14 o 300.5067 19.54150 2691.582       342.5317 2691.582       342.5317 0.000000       0.000000 300.5067 19.54150 ?        ?        0.000000       19.54150 
1 1 1 16  11 15 o 388.1022 11.04274 4438.913       251.0912 3865.080       338.4303 5141.564       374.4956 361.1163 16.01968 416.7728 15.34756 -55.65652      22.18508 
1 1 1 16  11 16 o 201.2597 13.98067 1201.905       163.9937 1225.539       210.6641 1165.554       261.2640 202.4830 17.92488 196.1757 23.15385 6.307343       29.28143 
1 1 1 16  11 17 o 145.1019 20.30413 638.8278       168.0625 754.0464       245.0867 536.5620       230.8999 155.8713 27.83167 130.4028 30.70336 25.46851       41.44029 
1 1 1 16  11 18 o 426.3530 10.19148 5353.557       254.8340 5332.736       380.8368 5370.438       342.9177 424.0959 15.33699 426.0555 13.74174 -1.959595      20.59268 
1 1 1 16  11 19 o 121.5361 20.15689 451.8435       138.6431 383.3983       246.5068 483.5125       167.6775 111.1986 34.34822 124.9512 23.74937 -13.75253      41.75923 
1 1 1 16  11 20 o 239.7754 11.55269 1699.830       161.9789 1366.156       259.7273 1912.214       207.2128 212.7551 21.09290 253.8811 13.97053 -41.12599      25.29993 
1 1 1 16  11 21 o 286.8313 10.26361 2427.046       172.3759 2615.872       289.0489 2322.827       214.7396 296.3652 16.69759 280.0654 13.11020 16.29984       21.22938 
1 1 1 16  11 22 o 200.2024 15.52724 1194.837       180.8872 0.000000       0.000000 1194.837       180.8872 ?        ?        200.2024 15.52724 0.000000       15.52724 
1 1 1 16  11 23 o ?        ?        -571.9680      142.8458 -181.8746      262.2336 -736.5581      170.3358 64.80197 29.84830 ?        ?        0.000000       29.84830 
1 1 1 16  11 24 o 300.6334 11.37433 2669.319       200.1842 2443.971       305.8455 2838.216       264.7804 286.0004 18.33063 309.2994 14.63829 -23.29898      23.45829 
1 1 1 16  11 25 f 38.57579 18.92484 -288.5820      146.3807 -61.46209      267.9422 -385.2067      174.7663 72.48580 32.04116 40.59514 20.06126 31.89066       37.80330 
1 1 1 16  11 26 o 52.17646 23.06254 -38.20356      138.7982 -68.49319      254.3616 -25.36038      165.6307 69.91285 31.04471 58.50038 25.54533 11.41247       40.20371 
1 1 1 16  11 27 o 554.3043 10.00376 9059.687       325.2086 9184.985       551.2413 8992.795       402.7676 555.0266 16.95458 551.4205 12.45435 3.606079       21.03731 
1 1 1 16  11 28 o 187.1652 13.18760 1043.339       143.8309 968.8229       260.8627 1075.887       172.4046 176.4519 25.98501 189.4881 15.65325 -13.03619      30.33554 
1 1 1 16  11 29 o 83.19707 25.27295 214.0286       134.1647 333.3941       248.7547 165.0619       159.3244 103.9852 34.73870 77.70586 27.71372 26.27934       44.43903 
1 1 1 16  11 30 o 204.9192 12.45303 1249.684       148.9543 1063.084       239.2056 1367.867       190.3674 185.8511 22.39700 213.6489 15.29409 -27.79781      27.12074 
1 1 1 16  11 31 o 94.36372 24.43879 283.5111       136.3138 159.7175       241.2532 341.5670       165.2140 84.78934 33.26344 103.0913 27.00769 -18.30192      42.84708 
1 1 1 16  11 32 o 127.0342 19.01171 498.2618       137.2939 1099.218       261.1792 268.7917       161.3914 187.3439 24.34637 91.80441 27.68329 95.53949       36.86612 
1 1 1 16  11 33 f 73.18815 25.25433 157.2941       131.5749 46.78742       223.2046 216.1432       162.8842 71.83745 30.48247 83.73654 28.11244 -11.89909      41.46674 
1 1 1 16  11 34 o 103.2966 22.59433 344.4449       133.0604 6.154935       220.2809 538.7902       166.9626 67.67419 29.50714 129.7770 22.76650 -62.10281      37.26909 
1 1 1 16  11 35 o 51.63626 22.50786 -6.228611      128.0927 -197.3970      204.1282 117.9429       164.5152 52.42308 24.84094 70.24154 27.49441 -17.81846      37.05421 
1 1 1 16  11 36 o 110.1279 18.88841 384.9589       117.6055 517.6338       204.3436 319.2465       143.8104 122.7336 28.87452 97.68048 25.00110 25.05312       38.19414 
1 1 1 16  11 37 o 52.78450 21.93049 36.14523       111.8063 65.18635       206.4625 24.09479       132.9952 69.07280 29.31348 55.10933 23.46235 13.96347       37.54680 
1 1 1 16  11 38 o 148.1905 14.15825 674.7369       121.5555 500.1726       208.8261 764.1952       149.4918 118.3578 30.03837 156.5349 16.53331 -38.17712      34.28781 
1 1 1 16  11 39 o 123.8312 17.43482 486.1878       123.1178 460.1876       197.8257 502.6248       157.2918 113.0764 29.51896 122.9592 22.64614 -9.882774      37.20506 
1 1 1 16  11 40 o 39.31377 18.89785 -159.8304      127.3778 -42.46427      200.7298 -238.9533      164.8130 59.03011 26.77733 42.68481 20.75177 16.34529       33.87716 
1 1 1 16  11 41 o 129.8970 17.84225 541.3383       132.3375 465.7928       220.8770 583.6439       165.2895 110.1639 32.18061 132.0860 22.11857 -21.92212      39.04898 
1 1 1 16  11 42 o 57.69664 23.89119 62.88891       132.0716 101.2518       230.3476 44.10131       161.1995 71.41762 30.65273 59.60553 25.61360 11.81208       39.94554 
1 1 1 16  11 43 o 121.1022 23.15308 504.3283       158.4498 500.5313       295.1530 505.8657       187.8070 107.1856 37.76952 117.5886 27.69325 -10.40304      46.83431 
1 1 1 16  11 44 o 102.9923 26.41166 386.8251       160.2821 429.5161       267.2488 362.8429       200.3054 100.5989 35.89154 96.29157 31.12212 4.307350       47.50567 
1 1 1 16  11 45 o 57.60815 24.54128 51.71673       145.6647 35.38320       228.8503 62.84099       188.8630 65.39604 29.21657 63.47488 27.50199 1.921165       40.12440 
1 1 1 16  12 0  o 848.8600 20.22891 21288.87       1007.069 21382.56       1414.241 21192.49       1434.393 847.1528 28.50560 843.1177 29.05219 4.035156       40.70134 
1 1 1 16  12 1  o 337.6057 12.24905 3355.926       242.1263 3282.962       303.3810 3483.937       401.8466 333.4926 15.55427 342.8347 20.07379 -9.342041      25.39473 
1 1 1 16  12 2  f 149.5617 17.52982 668.5903       150.8472 664.7624       175.5154 679.4098       295.0759 148.5756 20.70430 147.6858 34.66597 0.8897400      40.37818 
1 1 1 16  12 3  o 290.1541 13.11469 2481.908       222.5940 2676.913       275.6613 2116.487       377.3547 301.0290 15.66803 266.0517 24.45776 34.97733       29.04598 
1 1 1 16  12 4  o 71.69157 27.31581 107.3921       159.2219 148.9586       188.4156 3.559363       297.7913 80.36432 29.90885 82.07744 35.03112 -1.713120      46.06211 
1 1 1 16  12 5  o 687.1740 17.17159 13930.16       692.0343 14276.74       976.5629 13580.56       980.8196 693.2783 24.05474 675.8763 24.78606 17.40198       34.53953 
1 1 1 16  12 6  o 303.9895 16.99471 2734.715       301.7799 2734.715       301.7799 0.000000       0.000000 303.9895 16.99471 ?        ?        0.000000       16.99471 
1 1 1 16  12 7  o 513.9303 13.09220 7779.474       394.2882 7779.474       394.2882 0.000000       0.000000 513.9303 13.09220 ?        ?        0.000000       13.09220 
1 1 1 16  12 8  o 276.1007 13.85613 2250.981       223.6505 2250.981       223.6505 0.000000       0.000000 276.1007 13.85613 ?        ?        0.000000       13.85613 
1 1 1 16  12 9  o 403.0086 18.32362 4811.907       431.9550 4811.907       431.9550 0.000000       0.000000 403.0086 18.32362 ?        ?        0.000000       18.32362 
1 1 1 16  12 10 o 644.7098 14.50037 12256.15       548.2693 12256.15       548.2693 0.000000       0.000000 644.7098 14.50037 ?        ?        0.000000       14.50037 
1 1 1 16  12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  12 12 o 81.82496 34.89457 13.09308       295.0421 13.09308       295.0421 0.000000       0.000000 81.82496 34.89457 ?        ?        0.000000       34.89457 
1 1 1 16  12 13 o 556.3675 17.91139 9180.383       583.6805 9180.383       583.6805 0.000000       0.000000 556.3675 17.91139 ?        ?        0.000000       17.91139 
1 1 1 16  12 14 o 88.03971 26.93410 234.0532       152.0244 293.4491       200.1515 153.0629       233.7207 98.71048 31.02288 85.44336 32.95791 13.26712       45.26194 
1 1 1 16  12 15 o 594.7505 17.20018 10492.83       599.3244 10492.83       599.3244 0.000000       0.000000 594.7505 17.20018 ?        ?        0.000000       17.20018 
1 1 1 16  12 16 o 395.2459 9.519422 4596.961       220.6625 4719.031       288.5250 4424.950       342.4981 399.8036 12.31983 386.4644 15.14047 13.33920       19.51953 
1 1 1 16  12 17 o 250.7621 11.24610 1857.225       164.9712 1875.654       214.8350 1830.741       257.5369 251.3860 14.63509 247.6216 17.85361 3.764420       23.08543 
1 1 1 16  12 18 o 256.0711 11.60746 1937.916       173.8671 1881.850       263.8471 1980.949       231.1541 250.9478 18.04799 258.1628 15.33624 -7.215012      23.68396 
1 1 1 16  12 19 o 161.6677 15.43819 781.3659       144.6005 1026.708       245.5480 651.1136       178.9136 183.5386 23.33884 146.0456 21.53374 37.49304       31.75537 
1 1 1 16  12 20 o 301.6708 10.24084 2684.295       180.9211 2683.427       283.9639 2684.888       234.7313 300.3165 16.18230 301.0968 13.32574 -0.7803040     20.96288 
1 1 1 16  12 21 o 207.2697 12.61131 1273.345       152.5760 1203.734       250.4778 1314.412       192.3883 199.3913 21.77309 209.9842 15.73664 -10.59288      26.86465 
1 1 1 16  12 22 o 267.1300 10.21160 2105.192       159.6859 2157.494       286.8965 2081.716       192.2115 268.6613 18.31788 265.2568 12.38979 3.404541       22.11451 
1 1 1 16  12 23 o 205.1071 13.63787 1249.075       163.1187 934.1075       305.1228 1375.114       193.0159 172.4371 31.32470 214.8928 15.41759 -42.45570      34.91330 
1 1 1 16  12 24 o 159.8402 17.20797 767.6588       158.7735 912.6132       275.5533 695.6140       194.2636 171.2616 28.43088 150.7100 22.68092 20.55162       36.36948 
1 1 1 16  12 25 o 150.8547 16.85935 684.5687       146.6118 326.1454       258.7142 854.1255       177.9425 104.8221 35.43061 168.3579 18.31663 -63.53573      39.88517 
1 1 1 16  12 26 o 380.6851 9.632174 4273.275       214.8779 4282.042       373.1717 4268.927       262.8219 378.9349 16.83367 379.9637 11.80854 -1.028809      20.56245 
1 1 1 16  12 27 o 256.8446 10.69195 1950.747       160.7042 1976.311       304.8099 1940.906       189.1252 255.7148 20.49613 255.7698 12.64732 -0.5503845E-01 24.08414 
1 1 1 16  12 28 f 90.63261 24.67137 258.7187       134.6268 478.9617       248.1872 166.8959       160.2520 121.3866 33.67998 78.11205 27.80116 43.27457       43.67202 
1 1 1 16  12 29 o 163.9102 14.99609 806.6348       142.5611 528.2313       249.2624 941.9718       173.7912 127.0583 33.11838 176.6803 16.98102 -49.62196      37.21804 
1 1 1 16  12 30 o 131.6380 17.67233 528.6341       132.9915 586.8737       231.9667 500.1176       162.3173 134.5854 30.13943 126.4424 22.72403 8.143028       37.74609 
1 1 1 16  12 31 o 273.4330 10.41188 2215.552       166.6620 2041.625       268.8192 2324.146       212.4113 259.8800 17.74394 279.2545 13.00533 -19.37454      21.99968 
1 1 1 16  12 32 o 67.12017 24.74770 116.4321       128.4568 185.6010       243.4245 89.73610       151.2277 86.65319 33.57831 66.62002 26.27476 20.03317       42.63644 
1 1 1 16  12 33 o 44.81047 20.32156 -56.32630      115.5150 -5.445429      216.8471 -76.48547      136.4937 66.70589 29.17663 47.72684 21.81604 18.97905       36.43097 
1 1 1 16  12 34 o 178.5194 12.34661 958.2278       128.4695 1108.570       234.7528 893.9526       153.4943 187.4603 21.75621 171.2031 15.45347 16.25714       26.68599 
1 1 1 16  12 35 o 51.38697 21.91580 13.97734       116.3965 -21.24830      215.1558 28.55234       138.3974 64.28768 28.54920 56.83704 24.05505 7.450645       37.33232 
1 1 1 16  12 36 o 184.9039 11.49251 1028.471       124.0107 1159.767       216.6789 964.5146       151.2276 192.0310 19.51011 177.6515 14.64478 14.37952       24.39495 
1 1 1 16  12 37 f 144.0752 14.85148 639.1985       123.6942 503.7741       214.9797 706.2197       151.2359 119.0223 30.62232 150.1732 17.49914 -31.15090      35.26962 
1 1 1 16  12 38 o 94.64607 22.07028 298.6783       120.2437 408.4963       221.9869 253.0773       143.0466 105.1433 32.61503 85.91657 26.09549 19.22668       41.76978 
1 1 1 16  12 39 o 89.47380 23.95642 273.6170       128.2058 329.4504       233.0101 249.3753       153.5358 94.83155 33.54598 84.83318 27.23203 9.998375       43.20782 
1 1 1 16  12 40 o 180.5397 12.99248 998.6769       136.6473 798.2716       249.6772 1084.374       163.2703 148.7135 29.66773 186.8339 15.02715 -38.12045      33.25642 
1 1 1 16  12 41 o 153.8044 15.91799 744.6589       141.5116 676.4723       241.0022 780.5391       174.8229 134.2872 31.19817 154.8019 19.70202 -20.51477      36.89845 
1 1 1 16  12 42 o 50.20148 22.15292 -3.484798      127.5606 -34.19450      226.2824 10.82011       154.4385 61.78646 28.18420 55.70263 24.48553 6.083836       37.33484 
1 1 1 16  12 43 o 122.8901 19.71818 499.9121       137.3082 263.8966       241.9867 611.9846       166.7519 84.99033 33.32241 134.5118 21.88978 -49.52151      39.86910 
1 1 1 16  12 44 o 75.88094 26.33374 202.0052       143.1483 93.39655       251.8443 253.8416       173.9871 71.55974 31.36759 82.99257 29.01758 -11.43283      42.73109 
1 1 1 16  13 0  o 339.8986 11.90618 3401.714       236.9742 3385.894       295.6557 3430.138       396.3000 338.7119 14.92012 340.0687 19.95815 -1.356781      24.91862 
1 1 1 16  13 1  o 203.8104 13.58805 1228.045       161.4902 1336.343       193.0257 975.4185       294.8112 212.3824 15.60591 178.6515 29.14120 33.73096       33.05683 
1 1 1 16  13 2  o 304.3490 12.11001 2728.765       215.7242 2629.474       268.5229 2909.491       362.2722 298.3239 15.39980 313.1018 19.83061 -14.77783      25.10791 
1 1 1 16  13 3  o 324.1756 12.39257 3096.128       235.1753 3349.254       298.9386 2685.059       380.9529 336.8018 15.17308 300.3292 21.77626 36.47260       26.54106 
1 1 1 16  13 4  o 227.4832 13.41674 1528.627       178.2025 1610.330       215.8792 1353.882       315.7151 233.1712 15.88127 211.8190 25.95622 21.35222       30.42927 
1 1 1 16  13 5  o 186.1238 15.51514 1028.279       167.8200 960.4888       195.7788 1216.088       325.8659 179.2971 18.90249 199.9144 28.60815 -20.61720      34.28893 
1 1 1 16  13 6  o 572.7016 13.41776 9658.240       450.6703 9658.240       450.6703 0.000000       0.000000 572.7016 13.41776 ?        ?        0.000000       13.41776 
1 1 1 16  13 7  o 266.9315 13.00835 2102.952       203.0313 2102.952       203.0313 0.000000       0.000000 266.9315 13.00835 ?        ?        0.000000       13.00835 
1 1 1 16  13 8  o 169.5290 17.56557 858.3315       172.1176 858.3315       172.1176 0.000000       0.000000 169.5290 17.56557 ?        ?        0.000000       17.56557 
1 1 1 16  13 9  o 208.7085 19.38490 1301.134       234.5641 1301.134       234.5641 0.000000       0.000000 208.7085 19.38490 ?        ?        0.000000       19.38490 
1 1 1 16  13 10 o 526.4185 13.26214 8172.584       409.1186 8172.584       409.1186 0.000000       0.000000 526.4185 13.26214 ?        ?        0.000000       13.26214 
1 1 1 16  13 11 o 502.2371 16.82734 7469.365       494.9498 7469.365       494.9498 0.000000       0.000000 502.2371 16.82734 ?        ?        0.000000       16.82734 
1 1 1 16  13 12 o 599.3352 18.33317 10658.57       643.6459 10658.57       643.6459 0.000000       0.000000 599.3352 18.33317 ?        ?        0.000000       18.33317 
1 1 1 16  13 13 o 260.3580 22.14135 2035.144       334.8806 2035.144       334.8806 0.000000       0.000000 260.3580 22.14135 ?        ?        0.000000       22.14135 
1 1 1 16  13 14 o 71.08150 31.24641 -51.85519      251.5120 -51.85519      251.5120 0.000000       0.000000 71.08150 31.24641 ?        ?        0.000000       31.24641 
1 1 1 16  13 15 o 131.3307 33.74500 547.4102       261.2929 547.4102       261.2929 0.000000       0.000000 131.3307 33.74500 ?        ?        0.000000       33.74500 
1 1 1 16  13 16 o 126.3710 21.10183 488.9543       150.8824 491.6495       194.7411 484.9067       238.6529 125.2975 27.27674 123.6915 32.48671 1.605949       42.41942 
1 1 1 16  13 17 o 210.3589 12.18655 1310.190       149.7025 1309.720       200.2002 1310.786       225.4676 209.5049 16.42493 209.0898 18.57985 0.4151306      24.79897 
1 1 1 16  13 18 o 48.50338 21.77879 -57.20973      128.9061 103.6653       185.3573 -207.8944      179.3907 74.13986 29.13519 49.11219 23.27649 25.02767       37.29148 
1 1 1 16  13 19 o 225.4574 11.90867 1504.203       156.9045 1433.930       260.9072 1544.016       196.3853 218.1275 20.64058 227.8796 14.77407 -9.752090      25.38320 
1 1 1 16  13 20 o 185.6284 13.61430 1024.222       147.1834 1047.241       244.0091 1011.056       184.5332 185.4878 22.91748 183.6597 17.33725 1.828110       28.73658 
1 1 1 16  13 21 o 60.60287 25.25650 28.42762       148.9500 137.6343       268.3334 -20.20811      179.0721 87.37426 34.82598 61.47046 26.70561 25.90380       43.88665 
1 1 1 16  13 22 o 63.54232 25.65783 57.72139       147.6431 128.0496       297.7590 34.79284       170.0155 89.82652 36.37742 64.85176 27.00184 24.97476       45.30360 
1 1 1 16  13 23 o 434.9207 9.804642 5570.829       250.0877 5421.109       416.8579 5655.017       312.5906 426.9818 16.67878 437.5124 12.19436 -10.53058      20.66117 
1 1 1 16  13 24 f 47.75126 21.93135 -97.85479      140.1599 -35.06380      252.7845 -125.7276      168.4194 72.00038 31.49681 51.68670 23.84797 20.31368       39.50664 
1 1 1 16  13 25 o 122.9707 20.75002 464.8088       144.3276 460.6999       264.2275 466.5560       172.3030 120.1352 35.22601 122.1457 24.89824 -2.010506      43.13692 
1 1 1 16  13 26 o 231.9855 11.81561 1594.452       160.2266 1634.824       289.5247 1576.629       192.3703 232.2208 21.50274 230.1299 14.32429 2.090912       25.83705 
1 1 1 16  13 27 o 414.5347 16.04010 5127.633       389.2227 5127.633       389.2227 0.000000       0.000000 414.5347 16.04010 ?        ?        0.000000       16.04010 
1 1 1 16  13 28 o 146.5602 15.36283 646.6203       130.0898 867.1202       266.0589 577.3422       149.1323 165.4974 28.43616 137.4345 19.01083 28.06284       34.20565 
1 1 1 16  13 29 o 295.9337 9.463061 2587.443       164.0280 2464.306       275.5936 2654.991       204.1185 286.6285 16.46381 299.2006 11.65469 -12.57211      20.17148 
1 1 1 16  13 30 o 162.8050 14.63868 796.4438       138.2811 927.5220       248.9704 737.9706       166.2881 171.9305 25.45976 155.5100 18.60129 16.42043       31.53106 
1 1 1 16  13 31 o 255.6858 10.41550 1938.799       155.8574 1937.093       273.4305 1939.620       189.6907 252.5159 18.59362 255.0395 12.72217 -2.523560      22.52946 
1 1 1 16  13 32 o 203.5627 11.79428 1236.742       140.2027 1194.902       258.2218 1254.233       166.9552 195.4253 22.96798 204.2708 14.02120 -8.845459      26.90951 
1 1 1 16  13 33 o 53.58788 22.28813 31.33308       115.6592 -301.6062      223.9568 152.4260       135.0645 51.38765 24.79146 72.34611 25.54488 -20.95846      35.59715 
1 1 1 16  13 34 o 35.82426 17.35534 -174.0206      112.6441 -33.67565      220.4598 -223.6058      131.0410 64.41013 28.73279 37.46168 18.27729 26.94845       34.05338 
1 1 1 16  13 35 o 175.5569 12.65936 931.4107       129.4655 653.2482       240.5168 1044.886       153.6197 137.2140 30.66108 185.2783 14.24680 -48.06427      33.80936 
1 1 1 16  13 36 o 61.56209 23.65880 94.04451       120.1247 359.0344       232.3132 -2.663641      140.3430 100.6367 33.57002 53.82864 23.50975 46.80809       40.98359 
1 1 1 16  13 37 f 64.66048 24.19146 115.8875       123.5877 1.777894       226.2517 164.4148       147.5447 66.17861 29.33860 73.33051 26.60389 -7.151894      39.60455 
1 1 1 16  13 38 o 168.7405 12.74814 868.0558       125.2254 1353.772       250.6730 706.5328       144.5552 204.5575 21.20204 150.0907 16.70486 54.46689       26.99220 
1 1 1 16  13 39 o 134.1846 17.13214 570.1765       131.7523 387.0208       246.1486 643.7203       155.9770 100.6640 34.54950 141.3314 19.32339 -40.66745      39.58613 
1 1 1 16  13 40 o 84.49487 24.08810 247.0821       125.1700 230.6024       255.1868 252.3031       143.6359 84.29995 33.83961 84.70307 26.22874 -0.4031219     42.81433 
1 1 1 16  13 41 o 144.8486 16.75667 667.2329       139.7263 600.3083       262.3683 693.7285       165.0842 121.9534 34.90939 145.5394 19.85823 -23.58606      40.16236 
1 1 1 16  13 42 o 62.11004 24.31094 104.2066       128.6211 -209.3997      241.9136 227.7954       151.8649 54.91684 26.30453 80.15015 27.14517 -25.23331      37.79932 
1 1 1 16  13 43 o 48.69059 22.00850 -31.20594      134.1598 -135.3888      265.3814 4.560344       155.4925 60.42604 28.54069 54.96875 24.34789 5.457291       37.51521 
1 1 1 16  13 44 o 56.99032 24.07550 53.89550       138.2126 118.2403       262.3334 29.17194       162.6120 73.77792 32.18405 57.84068 25.28322 15.93724       40.92743 
1 1 1 16  14 0  o 508.4702 20.27182 7663.560       603.3057 0.000000       0.000000 7663.560       603.3057 ?        ?        508.4702 20.27182 0.000000       20.27182 
1 1 1 16  14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  14 2  o 228.4827 12.16223 1540.347       162.3864 1552.948       193.7776 1510.629       297.5942 229.1221 14.49499 224.4920 22.92482 4.630112       27.12291 
1 1 1 16  14 3  o 605.5318 22.49870 10894.54       797.6072 0.000000       0.000000 10894.54       797.6072 ?        ?        605.5318 22.49870 0.000000       22.49870 
1 1 1 16  14 4  o 264.0388 12.05316 2055.759       186.1540 2077.979       227.9207 2011.234       322.6278 265.1064 14.71705 259.6117 21.37910 5.494690       25.95491 
1 1 1 16  14 5  o 433.1203 19.74386 5565.712       500.2044 0.000000       0.000000 5565.712       500.2044 ?        ?        433.1203 19.74386 0.000000       19.74386 
1 1 1 16  14 6  o 365.8521 12.29764 3944.761       263.4875 3938.343       335.9950 3955.013       424.6323 364.9709 15.73423 364.8465 19.92063 0.1243591      25.38498 
1 1 1 16  14 7  o 67.26605 25.93746 89.98415       144.7189 89.98415       144.7189 0.000000       0.000000 67.26605 25.93746 ?        ?        0.000000       25.93746 
1 1 1 16  14 8  o 163.4564 17.44750 798.9905       164.6745 798.9905       164.6745 0.000000       0.000000 163.4564 17.44750 ?        ?        0.000000       17.44750 
1 1 1 16  14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  14 10 o 193.7682 16.22349 1117.749       182.6736 1117.749       182.6736 0.000000       0.000000 193.7682 16.22349 ?        ?        0.000000       16.22349 
1 1 1 16  14 11 o 270.7097 17.98408 2181.413       283.9049 2181.413       283.9049 0.000000       0.000000 270.7097 17.98408 ?        ?        0.000000       17.98408 
1 1 1 16  14 12 o 176.1869 33.90523 975.2650       337.6256 975.2650       337.6256 0.000000       0.000000 176.1869 33.90523 ?        ?        0.000000       33.90523 
1 1 1 16  14 13 o 241.6367 14.40552 1731.253       203.2200 1731.253       203.2200 0.000000       0.000000 241.6367 14.40552 ?        ?        0.000000       14.40552 
1 1 1 16  14 14 o 231.1148 20.49512 1603.617       274.9205 1603.617       274.9205 0.000000       0.000000 231.1148 20.49512 ?        ?        0.000000       20.49512 
1 1 1 16  14 15 o 66.90102 30.32459 -129.9189      256.8394 -129.9189      256.8394 0.000000       0.000000 66.90102 30.32459 ?        ?        0.000000       30.32459 
1 1 1 16  14 16 o 513.7724 9.803899 7772.463       295.4066 7510.323       368.8382 8241.454       493.3447 504.3917 12.46859 527.0128 15.98015 -22.62115      20.26896 
1 1 1 16  14 17 o 212.5889 11.91402 1337.706       147.9478 1298.944       199.9956 1384.556       219.8737 208.5877 16.48249 215.1355 17.57967 -6.547791      24.09808 
1 1 1 16  14 18 o 194.8457 12.18999 1125.061       138.6001 955.8972       200.8809 1278.757       191.4774 177.9974 19.56528 207.0560 15.88951 -29.05856      25.20470 
1 1 1 16  14 19 o 289.0285 9.398212 2462.046       159.0958 2383.241       228.0800 2536.727       222.0327 283.5417 13.75681 292.7238 12.96544 -9.182098      18.90377 
1 1 1 16  14 20 o 163.8270 15.82818 803.0361       150.1865 849.3420       279.2178 784.1850       178.1531 164.5996 30.03054 161.1117 19.23400 3.487869       35.66202 
1 1 1 16  14 21 f 122.6727 22.81286 465.0232       158.0871 498.1542       282.7615 449.9585       190.6705 125.1433 36.36922 119.5708 27.72942 5.572456       45.73447 
1 1 1 16  14 22 o 406.4061 9.547705 4863.074       227.5672 5277.760       424.4945 4695.832       269.5780 421.1157 17.22414 398.8201 11.53755 22.29559       20.73129 
1 1 1 16  14 23 o 163.4596 16.44341 801.0218       155.4956 596.1105       310.3295 869.7149       179.6787 135.9397 37.63959 169.9617 18.31459 -34.02199      41.85884 
1 1 1 16  14 24 o 299.8056 10.16685 2652.335       178.5040 2594.676       314.0082 2679.865       216.9722 294.4771 18.27190 300.9198 12.32033 -6.442719      22.03753 
1 1 1 16  14 25 o 277.6679 10.36019 2277.110       168.4153 2290.286       299.6429 2271.025       203.6212 276.3004 18.59987 276.8297 12.57463 -0.5293579     22.45165 
1 1 1 16  14 26 o 103.6358 23.09348 337.0512       136.7704 355.3809       277.7473 331.1837       157.1434 108.1288 36.70950 102.2755 26.11171 5.853302       45.04896 
1 1 1 16  14 27 o 302.5753 9.606442 2703.682       170.2535 2843.096       322.9925 2650.042       200.3465 307.6167 17.98166 299.1150 11.44180 8.501709       21.31326 
1 1 1 16  14 28 o 200.5035 12.09724 1195.322       141.5904 1459.134       268.5887 1093.793       166.6234 218.6705 21.20943 191.0532 14.99067 27.61739       25.97229 
1 1 1 16  14 29 o 223.5066 11.00677 1481.823       143.8345 1343.384       251.7036 1548.950       175.2709 209.7224 20.73525 227.9710 13.16531 -18.24858      24.56167 
1 1 1 16  14 30 o 141.5913 15.68550 606.9429       128.0702 970.9594       243.3149 467.4435       150.6240 176.2724 24.17202 122.1850 21.82042 54.08741       32.56404 
1 1 1 16  14 31 o 70.53870 24.42497 143.1718       123.1176 143.0059       256.2758 143.2216       140.3779 83.99451 33.84372 72.17690 25.98144 11.81762       42.66653 
1 1 1 16  14 32 o 202.5379 11.23125 1223.950       132.8865 1148.844       254.7132 1252.037       155.7648 190.9617 23.22006 204.2388 13.07274 -13.27715      26.64709 
1 1 1 16  14 33 o 131.6457 15.94272 532.4621       120.5842 488.7863       230.0574 549.0065       141.5927 118.8206 32.21222 132.6001 18.72815 -13.77953      37.26085 
1 1 1 16  14 34 o 75.00914 23.92714 179.4530       118.6714 131.1358       236.5365 195.7057       137.1862 78.60493 32.20053 78.31083 25.78566 0.2941055      41.25257 
1 1 1 16  14 35 o 145.7041 15.05480 652.1012       126.7957 570.6125       242.4764 682.7702       148.7546 126.4641 32.51387 147.9959 17.47502 -21.53172      36.91244 
1 1 1 16  14 36 o 77.52818 23.59092 197.8553       116.8333 265.0862       234.0157 175.5340       134.8405 89.82595 33.35086 74.43789 25.57054 15.38806       42.02538 
1 1 1 16  14 37 o 54.96552 25.83703 -152.7991      212.8273 26.71082       236.4337 -919.4774      488.6207 68.71387 30.24725 63.60960 31.77929 5.104271       43.87276 
1 1 1 16  14 38 o 51.82982 22.30669 15.13476       122.6221 -6.558714      234.8633 23.26411       143.7735 65.91494 29.51231 56.11170 24.15185 9.803242       38.13513 
1 1 1 16  14 39 o 109.2471 20.79774 394.5224       128.3870 524.0517       251.3716 348.8081       149.3338 115.8687 34.45867 99.97052 25.41792 15.89821       42.81904 
1 1 1 16  14 40 o 67.82523 24.77216 143.4517       128.2286 57.22146       262.1133 170.5820       147.0232 71.53555 31.65261 72.64761 26.52678 -1.112061      41.29840 
1 1 1 16  14 41 o 95.88791 23.65053 320.2361       132.1593 593.1215       253.7640 218.6757       154.8110 121.7097 34.16230 79.03815 27.38784 42.67155       43.78535 
1 1 1 16  14 42 o 52.16001 22.58935 19.26805       127.3004 94.37487       246.6479 -8.003736      148.6259 71.64231 31.23049 53.05708 23.63494 18.58523       39.16573 
1 1 1 16  14 43 o 132.7771 17.69186 571.3416       134.3423 597.7512       294.2786 564.3886       150.9945 116.1151 37.73795 129.9471 20.49082 -13.83202      42.94213 
1 1 1 16  14 44 f 119.5326 20.55659 481.3945       138.9133 454.5711       314.8945 487.8759       154.7889 100.0691 38.34393 118.3813 23.12463 -18.31226      44.77729 
1 1 1 16  15 0  o 763.9158 18.35851 17258.80       822.4954 17348.14       1153.692 17166.47       1172.914 762.3099 25.84260 757.9979 26.42485 4.312012       36.96096 
1 1 1 16  15 1  o 215.9484 23.04253 1401.035       287.3271 0.000000       0.000000 1401.035       287.3271 ?        ?        215.9484 23.04253 0.000000       23.04253 
1 1 1 16  15 2  o 428.5829 12.39797 5412.208       311.3001 5875.187       434.1241 4922.167       446.6320 445.7119 16.63689 407.4331 18.74165 38.27875       25.06064 
1 1 1 16  15 3  o 336.5909 18.63508 3362.643       366.4256 0.000000       0.000000 3362.643       366.4256 ?        ?        336.5909 18.63508 0.000000       18.63508 
1 1 1 16  15 4  o 437.4413 19.06151 5676.887       487.8471 0.000000       0.000000 5676.887       487.8471 ?        ?        437.4413 19.06151 0.000000       19.06151 
1 1 1 16  15 5  o 448.3111 16.51878 5946.378       433.5755 5946.378       433.5755 0.000000       0.000000 448.3111 16.51878 ?        ?        0.000000       16.51878 
1 1 1 16  15 6  o 341.8813 9.953634 3440.167       199.3632 3365.124       229.6268 3669.907       401.7752 337.9036 11.60444 351.2960 19.57857 -13.39240      22.75925 
1 1 1 16  15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  15 8  o 236.4450 12.25220 1651.496       169.3210 1651.496       169.3210 0.000000       0.000000 236.4450 12.25220 ?        ?        0.000000       12.25220 
1 1 1 16  15 9  o 346.6924 15.72952 3560.450       318.9904 3560.450       318.9904 0.000000       0.000000 346.6924 15.72952 ?        ?        0.000000       15.72952 
1 1 1 16  15 10 o 353.2153 19.58229 3717.618       404.0642 3717.618       404.0642 0.000000       0.000000 353.2153 19.58229 ?        ?        0.000000       19.58229 
1 1 1 16  15 11 o 254.7369 16.37706 1928.854       243.3724 1928.854       243.3724 0.000000       0.000000 254.7369 16.37706 ?        ?        0.000000       16.37706 
1 1 1 16  15 12 o 446.6788 16.83755 5921.189       440.2979 5921.189       440.2979 0.000000       0.000000 446.6788 16.83755 ?        ?        0.000000       16.83755 
1 1 1 16  15 13 o 124.7021 34.70499 492.3602       263.0874 492.3602       263.0874 0.000000       0.000000 124.7021 34.70499 ?        ?        0.000000       34.70499 
1 1 1 16  15 14 o 98.13443 35.43877 257.4139       261.4255 257.4139       261.4255 0.000000       0.000000 98.13443 35.43877 ?        ?        0.000000       35.43877 
1 1 1 16  15 15 o 272.1383 10.47470 2185.226       166.8668 2097.977       208.0066 2342.753       279.4949 266.1205 13.37031 280.3829 17.07798 -14.26239      21.68923 
1 1 1 16  15 16 o 135.2121 17.30042 551.6987       134.0512 485.1660       175.5820 644.6724       207.5593 124.8650 24.85090 144.2455 25.46599 -19.38050      35.58207 
1 1 1 16  15 17 o 165.4115 13.71713 814.5982       131.8742 833.0272       184.7180 795.4413       188.3311 166.0805 19.32497 162.0072 20.26348 4.073364       28.00113 
1 1 1 16  15 18 f 117.1706 19.93947 420.6599       132.1164 479.8383       189.8824 365.1269       183.9409 123.6372 26.94942 107.6778 28.63411 15.95934       39.32154 
1 1 1 16  15 19 o 229.1876 11.11371 1552.474       148.9374 1558.951       215.9782 1546.601       205.6592 228.6625 16.21022 227.9163 15.47769 0.7462006      22.41273 
1 1 1 16  15 20 o 353.9162 9.519627 3690.515       197.4133 3540.369       274.1440 3852.234       284.5137 345.7938 13.54415 360.7426 13.47159 -14.94882      19.10308 
1 1 1 16  15 21 o 244.5061 11.45383 1767.133       163.7880 2264.248       263.8429 1455.450       208.9170 275.7588 16.38810 220.9147 16.23843 54.84407       23.07068 
1 1 1 16  15 22 o 209.3934 12.92676 1300.418       157.9723 1643.037       307.1895 1177.235       184.1941 232.9131 22.77949 198.5886 15.94907 34.32448       27.80787 
1 1 1 16  15 23 o 210.7005 12.07804 1315.311       148.6241 1301.595       294.4373 1320.000       172.1676 206.2459 24.84167 210.7053 14.01200 -4.459427      28.52096 
1 1 1 16  15 24 o 251.4670 10.66831 1868.815       156.9782 2017.555       297.2846 1811.308       184.8500 258.9358 19.72469 247.1383 12.79707 11.79749       23.51230 
1 1 1 16  15 25 o 427.9777 9.478417 5398.979       237.9072 5676.000       419.1336 5267.300       288.9702 436.2823 16.41002 422.0023 11.68709 14.28000       20.14639 
1 1 1 16  15 26 o 142.3115 16.51685 611.9557       135.2960 1121.579       311.1417 493.1257       150.2439 188.6758 29.04910 126.3466 21.01382 62.32913       35.85290 
1 1 1 16  15 27 o 110.3819 21.21309 379.7835       132.3375 185.0309       279.4150 436.1040       150.2593 91.20948 35.79306 118.1016 22.51538 -26.89210      42.28576 
1 1 1 16  15 28 o 361.3547 9.066006 3854.708       191.9805 3697.529       329.1325 3935.763       236.3529 351.4311 16.01115 364.5432 11.06789 -13.11215      19.46420 
1 1 1 16  15 29 o 414.4330 9.100284 5070.153       221.1871 5133.508       368.8836 5034.588       276.3835 414.2945 15.20783 412.0275 11.44871 2.266998       19.03552 
1 1 1 16  15 30 o 52.69918 22.38115 11.20001       120.5073 438.1947       269.7812 -95.23378      134.6915 114.8261 36.00713 46.25128 21.33533 68.57486       41.85343 
1 1 1 16  15 31 o 56.03169 22.61649 50.58857       114.6674 41.00356       246.1980 53.24379       129.5802 74.30074 31.78573 58.88935 23.94290 15.41140       39.79441 
1 1 1 16  15 32 o 161.6497 12.63548 786.0673       118.8380 396.2675       239.4629 913.4372       136.8835 107.7005 33.94453 174.0185 13.51831 -66.31805      36.53733 
1 1 1 16  15 33 o 134.3555 14.83037 552.1508       114.9157 621.7217       242.5092 532.0056       130.4971 134.1230 31.38914 130.8411 17.44008 3.281891       35.90870 
1 1 1 16  15 34 f 154.5310 13.20204 724.5963       118.5035 377.4289       246.4498 829.0049       135.1534 103.4329 34.57783 164.9801 14.10348 -61.54725      37.34347 
1 1 1 16  15 35 o 84.40382 22.55310 235.2529       113.7683 154.8339       239.0326 258.8058       129.3600 79.99928 32.52141 88.02383 24.27417 -8.024551      40.58174 
1 1 1 16  15 36 o 36.64987 17.65564 -154.0800      112.6012 -283.5548      230.2130 -113.3643      129.0975 51.89658 25.06129 42.79307 20.11761 9.103516       32.13699 
1 1 1 16  15 37 o 95.07622 23.43789 306.0617       129.8448 404.4042       239.8279 265.2818       154.4374 103.6910 34.09119 87.43571 27.21703 16.25525       43.62311 
1 1 1 16  15 38 o 242.2421 17.33820 1844.752       244.6936 1969.969       272.0850 1315.097       559.5878 248.9396 18.77469 159.2478 52.05875 89.69171       55.34078 
1 1 1 16  15 39 o 44.80041 20.59517 -63.12821      123.9974 209.8102       247.6362 -154.4596      143.2491 82.24367 33.22211 42.67683 20.38744 39.56684       38.97892 
1 1 1 16  15 40 o 104.4682 21.11874 366.3500       124.9362 331.2820       257.6097 377.1350       142.8619 92.80800 34.88388 104.2850 23.87470 -11.47699      42.27158 
1 1 1 16  15 41 o 124.5397 17.98139 502.0310       127.5367 325.9695       257.3342 559.3572       146.8392 91.65651 34.77272 130.2980 19.84109 -38.64154      40.03512 
1 1 1 16  15 42 o 92.23023 23.89878 300.7185       130.3103 509.3452       293.0465 249.2980       145.4856 107.4256 37.65203 82.97063 26.49563 24.45501       46.04013 
1 1 1 16  15 43 o 42.80848 20.31991 -124.8317      137.7319 -17.85719      301.6219 -153.0145      154.8153 69.07100 31.88519 44.33549 21.18383 24.73551       38.28080 
1 1 1 16  16 0  o 564.7726 21.11659 9485.256       698.2043 0.000000       0.000000 9485.256       698.2043 ?        ?        564.7726 21.11659 0.000000       21.11659 
1 1 1 16  16 1  o 371.7151 11.48220 4070.927       250.0143 4323.553       335.6262 3755.976       374.7469 382.4592 14.99209 355.7910 18.01809 26.66815       23.43959 
1 1 1 16  16 2  o 271.5589 10.94621 2173.485       173.9753 2179.266       210.4311 2160.999       309.2565 271.6009 13.25076 269.2513 19.72120 2.349609       23.75939 
1 1 1 16  16 3  o 47.89911 19.85733 17.60610       91.38555 55.96529       99.54273 -188.0844      230.5058 55.02944 21.43096 59.71921 27.67534 -4.689774      35.00301 
1 1 1 16  16 4  o 202.8729 11.68144 1215.854       138.3983 1217.490       160.4773 1211.104       273.4064 202.7489 13.57419 200.1929 23.74893 2.556046       27.35453 
1 1 1 16  16 5  o 360.2825 11.77963 3826.838       248.5656 4001.643       325.1164 3580.906       385.6290 367.8002 15.10433 346.9944 19.02221 20.80576       24.28961 
1 1 1 16  16 6  o 556.6884 11.20767 9124.313       365.9133 9334.143       436.7981 8630.558       670.0427 562.6048 13.23814 538.1989 21.26989 24.40594       25.05307 
1 1 1 16  16 7  o 192.5941 11.90892 1096.940       133.8556 1133.342       147.3294 924.7911       320.3938 195.6329 12.91317 171.8807 32.98306 23.75217       35.42079 
1 1 1 16  16 8  o 254.8984 13.91271 1923.563       207.1952 1923.563       207.1952 0.000000       0.000000 254.8984 13.91271 ?        ?        0.000000       13.91271 
1 1 1 16  16 9  o 53.39754 22.66466 5.104283       123.4582 5.104283       123.4582 0.000000       0.000000 53.39754 22.66466 ?        ?        0.000000       22.66466 
1 1 1 16  16 10 o 416.6293 12.08054 5121.836       294.8681 5121.836       294.8681 0.000000       0.000000 416.6293 12.08054 ?        ?        0.000000       12.08054 
1 1 1 16  16 11 o 333.3670 12.13261 3281.628       236.8114 3281.628       236.8114 0.000000       0.000000 333.3670 12.13261 ?        ?        0.000000       12.13261 
1 1 1 16  16 12 o 475.4786 12.28489 6674.432       342.2858 6674.432       342.2858 0.000000       0.000000 475.4786 12.28489 ?        ?        0.000000       12.28489 
1 1 1 16  16 13 o 85.08344 34.39171 112.9884       265.5732 112.9884       265.5732 0.000000       0.000000 85.08344 34.39171 ?        ?        0.000000       34.39171 
1 1 1 16  16 14 o 218.4872 23.24184 1447.871       293.2502 1447.871       293.2502 0.000000       0.000000 218.4872 23.24184 ?        ?        0.000000       23.24184 
1 1 1 16  16 15 o 326.5560 17.27777 3177.510       329.7218 3177.510       329.7218 0.000000       0.000000 326.5560 17.27777 ?        ?        0.000000       17.27777 
1 1 1 16  16 16 o 143.3023 15.89676 616.3247       131.3569 525.7500       172.3479 741.8623       202.9034 130.4383 23.38866 155.6621 22.91031 -25.22386      32.74006 
1 1 1 16  16 17 o 464.7240 9.102406 6357.130       248.0858 6554.542       337.4835 6125.032       365.9334 471.0114 12.22751 454.8606 13.73318 16.15076       18.38783 
1 1 1 16  16 18 f 174.4997 13.18829 904.9773       133.9698 952.5466       191.7528 859.6152       187.2512 177.9025 18.65562 168.7594 19.26398 9.143097       26.81665 
1 1 1 16  16 19 o 29.61011 15.00544 -469.6273      131.8288 -658.8544      208.0777 -342.7420      170.3882 38.83982 19.58375 41.31118 20.29724 -2.471359      28.20462 
1 1 1 16  16 20 o 205.4307 12.82068 1251.347       153.6939 1503.919       240.0989 1076.003       200.0523 224.0465 18.43561 189.3156 18.24367 34.73090       25.93652 
1 1 1 16  16 21 o 196.5204 12.97818 1146.105       148.7421 1167.338       237.7599 1132.452       190.6594 196.5040 20.95372 194.5458 16.87717 1.958145       26.90534 
1 1 1 16  16 22 o 261.0034 9.846956 2009.810       150.4593 2073.911       255.4141 1975.744       186.1949 263.6862 16.60032 258.3345 12.32506 5.351624       20.67554 
1 1 1 16  16 23 o 341.9105 9.411313 3446.507       188.5385 3116.800       326.0250 3612.172       231.1007 323.0667 17.26987 349.6306 11.28524 -26.56381      20.63020 
1 1 1 16  16 24 o 279.9635 10.09119 2314.563       165.4182 2084.899       309.3452 2406.531       195.7568 262.9022 20.21831 285.1316 11.73139 -22.22934      23.37532 
1 1 1 16  16 25 o 237.0490 10.94126 1663.652       151.6991 1487.416       299.9925 1724.200       175.8375 220.2670 23.58953 240.9895 12.48377 -20.72250      26.68914 
1 1 1 16  16 26 o 217.7468 11.14193 1405.672       141.8132 1542.514       297.7963 1365.539       161.2737 224.3189 22.95972 214.2102 12.89701 10.10864       26.33404 
1 1 1 16  16 27 o 185.6983 12.50942 1027.175       135.4423 1194.041       289.9048 980.5833       153.1886 195.6286 25.90412 180.9171 14.56051 14.71143       29.71585 
1 1 1 16  16 28 o 235.5651 10.30602 1643.716       142.0366 1253.183       262.7395 1804.975       168.8337 201.6480 22.60546 246.5169 11.71131 -44.86888      25.45901 
1 1 1 16  16 29 o 176.4234 12.51350 929.5862       128.6346 1027.467       290.7096 905.7560       143.4412 179.1517 28.63216 173.6817 14.20617 5.470001       31.96273 
1 1 1 16  16 30 o 180.8495 12.09007 977.0516       127.4956 520.9390       256.1169 1127.316       147.0044 124.1292 34.12622 194.0476 12.99215 -69.91843      36.51569 
1 1 1 16  16 31 o 173.8918 11.43556 904.0939       115.9765 760.6082       245.2531 945.4219       131.6233 152.0285 28.55499 177.4351 12.73326 -25.40663      31.26537 
1 1 1 16  16 32 f 167.0975 11.92347 838.7766       116.0807 919.8513       253.7283 817.3151       130.5436 167.5949 26.70992 164.3229 13.66956 3.272018       30.00461 
1 1 1 16  16 33 o 120.6867 16.32764 451.5620       112.6052 509.2789       244.7003 436.0562       126.8323 119.5659 33.54169 117.4488 19.06652 2.117119       38.58208 
1 1 1 16  16 34 o 96.26711 19.75163 298.4592       107.7722 50.81377       237.6431 362.5788       120.9220 71.73540 30.96503 106.1732 20.15659 -34.43784      36.94755 
1 1 1 16  16 35 o 119.3578 16.72540 446.1235       113.8698 687.4697       249.8642 382.8600       127.9264 139.1133 31.37578 108.5686 20.84886 30.54469       37.67113 
1 1 1 16  16 36 o 52.73497 21.87390 39.80020       110.9724 -95.84855      237.9982 77.48494       125.4436 61.42419 28.34382 59.57082 23.78916 1.853374       37.00401 
1 1 1 16  16 37 o 60.54566 23.47087 93.01580       118.9693 -142.4821      235.2727 173.9188       137.8987 58.30589 27.33032 73.51023 25.82365 -15.20435      37.60063 
1 1 1 16  16 38 o 140.3007 15.48131 615.4370       125.2693 627.9736       249.4687 611.2101       144.8562 128.6952 32.92282 138.1522 18.33031 -9.456940      37.68172 
1 1 1 16  16 39 o 65.12371 24.49608 124.9150       127.0804 119.9959       241.4631 126.7995       149.4531 74.19075 31.60097 67.24469 26.23921 6.946060       41.07454 
1 1 1 16  16 40 o 36.13897 17.45598 -151.8304      111.8536 -283.6406      241.7874 -115.9412      126.1657 52.11157 25.28842 41.33998 19.57149 10.77159       31.97729 
1 1 1 16  16 41 o 39.90716 18.85213 -103.4187      115.8733 -102.6335      267.6286 -103.5999      128.5465 62.41845 29.22296 42.49627 20.00810 19.92218       35.41617 
1 1 1 16  16 42 o 59.81407 23.93613 89.95744       127.2671 -4.658874      323.1368 107.3286       138.4579 71.44971 32.99023 63.05353 25.05423 8.396183       41.42547 
1 1 1 16  16 43 o 92.73300 25.09205 311.1925       139.7525 407.9880       308.4807 286.1958       156.7623 96.48335 37.68327 87.61887 27.44351 8.864479       46.61732 
1 1 1 16  17 0  o 390.0684 17.90224 4516.799       408.4503 0.000000       0.000000 4516.799       408.4503 ?        ?        390.0684 17.90224 0.000000       17.90224 
1 1 1 16  17 1  o 258.4072 10.58229 1968.412       160.0350 2025.040       198.8112 1864.182       269.7236 261.7594 12.99114 250.0925 18.52085 11.66698       22.62281 
1 1 1 16  17 2  o 270.4221 19.19543 2180.658       302.4533 0.000000       0.000000 2180.658       302.4533 ?        ?        270.4221 19.19543 0.000000       19.19543 
1 1 1 16  17 3  f 281.6700 11.20706 2339.819       184.7631 2556.529       229.8921 1944.482       310.5044 294.1004 13.36331 254.8385 20.96066 39.26190       24.85814 
1 1 1 16  17 4  o 360.4293 17.90766 3859.771       377.3525 3859.771       377.3525 0.000000       0.000000 360.4293 17.90766 ?        ?        0.000000       17.90766 
1 1 1 16  17 5  o 188.9111 10.91525 1054.250       120.4171 1000.724       133.6710 1284.720       277.3716 183.8256 12.47269 206.1417 23.35368 -22.31613      26.47569 
1 1 1 16  17 6  o 157.5131 12.49165 736.0529       114.4507 756.8605       125.6466 634.6584       277.3617 159.5767 13.55362 141.5759 33.86136 18.00078       36.47317 
1 1 1 16  17 7  o 146.8423 12.72887 640.6910       108.5388 721.4073       117.5790 175.5117       282.2664 155.8435 12.98223 92.60416 36.08147 63.23934       38.34593 
1 1 1 16  17 8  o 141.9251 14.83821 601.8386       121.6841 601.8386       121.6841 0.000000       0.000000 141.9251 14.83821 ?        ?        0.000000       14.83821 
1 1 1 16  17 9  o 327.3044 14.37556 3172.400       275.2748 3172.400       275.2748 0.000000       0.000000 327.3044 14.37556 ?        ?        0.000000       14.37556 
1 1 1 16  17 10 f 421.6365 11.79753 5246.228       291.4423 5246.228       291.4423 0.000000       0.000000 421.6365 11.79753 ?        ?        0.000000       11.79753 
1 1 1 16  17 11 f 411.2984 16.22893 5022.899       390.7006 5022.899       390.7006 0.000000       0.000000 411.2984 16.22893 ?        ?        0.000000       16.22893 
1 1 1 16  17 12 o 477.3456 17.92823 6784.117       501.0122 6784.117       501.0122 0.000000       0.000000 477.3456 17.92823 ?        ?        0.000000       17.92823 
1 1 1 16  17 13 o 172.4602 29.34588 927.6467       286.1945 927.6467       286.1945 0.000000       0.000000 172.4602 29.34588 ?        ?        0.000000       29.34588 
1 1 1 16  17 14 o 302.4060 9.353168 2694.888       165.6827 2729.586       212.0108 2640.453       265.5483 303.8848 11.91905 298.1227 15.23847 5.762177       19.34618 
1 1 1 16  17 15 o 172.7704 13.27623 887.4662       133.4916 849.2440       162.9842 965.3632       232.6743 168.3015 16.73372 177.9793 22.81498 -9.677780      28.29383 
1 1 1 16  17 16 o 250.0108 10.05310 1844.371       147.1034 1867.413       194.6924 1813.718       224.5614 250.9937 13.27340 246.8438 15.59146 4.149887       20.47625 
1 1 1 16  17 17 o 41.69291 19.63897 -133.1305      124.1045 -164.4320      169.7544 -97.19195      181.8944 49.60105 23.23879 56.18856 25.48903 -6.587509      34.49249 
1 1 1 16  17 18 o 295.6032 9.592533 2575.666       166.0800 2442.257       228.0967 2726.195       242.2907 287.0858 13.58597 303.3342 13.65462 -16.24835      19.26207 
1 1 1 16  17 19 o 220.1680 11.72582 1434.195       150.8616 1674.190       239.1907 1275.657       194.4060 236.7373 17.34814 206.7543 16.16094 29.98302       23.70936 
1 1 1 16  17 20 f 67.49947 25.16733 107.2182       133.5304 57.78217       223.7602 134.5604       166.4091 74.96566 31.07473 75.20488 28.08447 -0.2392197     41.88528 
1 1 1 16  17 21 o 72.35215 24.90274 145.5371       127.9089 25.63630       227.9980 200.6052       154.5148 72.83232 30.85217 82.80654 27.37022 -9.974220      41.24300 
1 1 1 16  17 22 o 248.2334 9.643165 1818.376       140.1210 2061.267       244.9293 1700.207       170.8392 262.9256 15.95907 239.5610 12.19982 23.36461       20.08799 
1 1 1 16  17 23 o 184.0860 11.89466 1005.620       127.7298 1072.912       243.9231 980.1973       149.9291 187.3792 22.65579 181.2737 14.21631 6.105469       26.74674 
1 1 1 16  17 24 o 240.6733 9.891461 1711.662       139.3197 1615.171       249.0359 1755.618       168.0831 231.5634 18.49107 243.3551 11.81224 -11.79161      21.94194 
1 1 1 16  17 25 o 78.54714 24.11895 189.0951       121.7637 279.0929       280.8599 168.2642       135.1226 100.1074 36.64627 76.05257 25.60540 24.05482       44.70555 
1 1 1 16  17 26 o 52.24565 22.24458 6.430049       119.5610 -738.0297      283.4601 167.5378       131.8650 48.13361 24.07124 75.57349 25.29336 -27.43987      34.91674 
1 1 1 16  17 27 o 282.3088 9.796562 2356.942       161.9534 2137.546       322.2028 2431.111       187.3391 264.8644 20.91176 286.3596 11.17637 -21.49524      23.71103 
1 1 1 16  17 28 o 174.5131 12.72508 909.8103       129.3433 1245.672       285.4991 823.0726       145.0869 199.6594 24.92297 165.2998 15.13373 34.35965       29.15792 
1 1 1 16  17 29 o 235.6240 10.29090 1647.369       141.8649 1830.882       283.9471 1586.323       163.7698 244.5788 19.96924 230.6750 12.14832 13.90385       23.37418 
1 1 1 16  17 30 o 236.6139 9.761926 1661.829       135.1738 1508.123       260.4595 1718.489       158.1378 220.9650 20.32621 240.1444 11.25962 -19.17940      23.23647 
1 1 1 16  17 31 o 121.8348 15.63528 455.6693       109.1471 246.4536       237.8917 511.4536       122.8395 90.61256 33.62913 128.8141 16.64915 -38.20155      37.52483 
1 1 1 16  17 32 o 92.09587 20.45074 273.2463       107.5816 267.8092       224.2516 274.8718       122.6123 91.34141 32.84364 91.61048 22.88847 -0.2690735     40.03232 
1 1 1 16  17 33 o 69.56094 22.30671 152.8689       103.0387 418.1235       225.1316 82.58212       115.8889 108.5028 32.69112 59.59852 23.14805 48.90431       40.05673 
1 1 1 16  17 34 o 76.07838 22.22728 189.2747       105.3668 42.02880       234.0219 226.7140       118.0044 70.44263 30.56695 82.71299 23.32410 -12.27036      38.44934 
1 1 1 16  17 35 o 168.0616 11.74927 854.1815       115.0763 688.9009       243.0482 901.9394       130.6484 139.2831 30.59236 172.1211 13.03954 -32.83795      33.25541 
1 1 1 16  17 36 o 59.71235 22.49871 96.20782       107.3018 290.8009       224.4130 38.53403       122.1725 90.82756 32.82975 54.32178 22.77305 36.50578       39.95503 
1 1 1 16  17 37 o 81.77516 22.50416 226.0729       111.3129 -4.555163      225.2550 300.5883       128.0387 64.64785 28.92679 93.91033 23.34726 -29.26248      37.17329 
1 1 1 16  17 38 o 45.27554 20.49359 -39.32858      116.8106 -347.0502      242.2481 53.89592       133.3357 50.35983 24.63046 57.22206 23.87552 -6.862236      34.30306 
1 1 1 16  17 39 o 41.81409 19.71117 -107.1706      125.4515 -426.7063      250.5617 -0.2711940     144.9248 48.69712 24.05690 53.44817 23.59795 -4.751045      33.69863 
1 1 1 16  17 40 o 92.78687 23.08504 298.9437       125.1109 256.0711       250.1474 313.2459       144.4800 85.02904 33.71141 93.53059 25.59851 -8.501549      42.32899 
1 1 1 16  17 41 o 64.79758 28.93159 26.72161       224.0476 44.91551       267.3987 -16.14617      410.4514 69.85747 31.36718 76.84302 36.04468 -6.985550      47.78200 
1 1 1 16  17 42 o 54.08993 22.14641 59.63396       111.8137 -22.86162      301.4722 72.79219       120.4012 68.79440 31.79995 56.85247 23.09241 11.94193       39.30008 
1 1 1 16  18 0  o 377.9831 11.25276 4212.073       249.1713 4102.002       324.9904 4369.057       388.1164 372.2518 14.91638 383.5834 17.29699 -11.33157      22.84041 
1 1 1 16  18 1  o 395.4776 11.52644 4611.907       267.0570 4769.229       360.0371 4419.477       398.1896 401.3238 15.32500 385.6900 17.65037 15.63373       23.37501 
1 1 1 16  18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  18 3  o 115.4298 13.62019 398.6803       90.43098 427.5656       97.04542 208.1910       249.2139 119.5081 14.11835 92.40804 34.39629 27.10006       37.18108 
1 1 1 16  18 4  o 400.8518 12.57043 4743.832       295.1530 4641.462       397.0984 4870.199       441.1938 395.3453 17.16751 404.5357 18.64626 -9.190338      25.34574 
1 1 1 16  18 5  o 234.2695 9.948782 1618.216       136.3786 1555.817       153.6679 1849.647       295.9421 229.4935 11.45347 248.3941 20.49717 -18.90062      23.48012 
1 1 1 16  18 6  o 209.6472 10.25568 1297.098       125.7142 1272.414       138.6736 1410.954       297.8276 207.4758 11.44090 215.7612 23.93885 -8.285400      26.53229 
1 1 1 16  18 7  o 241.7486 10.21857 1723.822       144.5520 1858.839       162.7941 1220.626       314.2766 250.9265 11.08959 199.3411 27.62365 51.58542       29.76651 
1 1 1 16  18 8  o 531.0298 17.71023 8383.299       550.7894 8383.299       550.7894 0.000000       0.000000 531.0298 17.71023 ?        ?        0.000000       17.71023 
1 1 1 16  18 9  o 478.0555 17.54903 6797.210       491.1841 6797.210       491.1841 0.000000       0.000000 478.0555 17.54903 ?        ?        0.000000       17.54903 
1 1 1 16  18 10 o 313.8963 11.32441 2909.130       208.1326 2909.130       208.1326 0.000000       0.000000 313.8963 11.32441 ?        ?        0.000000       11.32441 
1 1 1 16  18 11 o 298.7060 13.80478 2644.095       241.1838 2644.095       241.1838 0.000000       0.000000 298.7060 13.80478 ?        ?        0.000000       13.80478 
1 1 1 16  18 12 o 504.6106 16.51157 7566.737       487.9892 7566.737       487.9892 0.000000       0.000000 504.6106 16.51157 ?        ?        0.000000       16.51157 
1 1 1 16  18 13 o 285.9759 14.25141 2426.516       238.2689 2426.516       238.2689 0.000000       0.000000 285.9759 14.25141 ?        ?        0.000000       14.25141 
1 1 1 16  18 14 o 295.1520 11.75570 2574.909       203.0836 2574.909       203.0836 0.000000       0.000000 295.1520 11.75570 ?        ?        0.000000       11.75570 
1 1 1 16  18 15 o 271.8369 9.700259 2179.055       154.3994 2233.506       194.1196 2085.287       254.7393 274.7986 12.07441 264.5131 16.50317 10.28552       20.44862 
1 1 1 16  18 16 o 299.4979 9.348032 2643.398       163.9957 2574.287       220.4982 2728.954       245.3346 294.9178 12.77866 303.4286 13.82273 -8.510773      18.82451 
1 1 1 16  18 17 o 235.5248 10.66868 1638.337       146.9836 1858.017       205.9867 1410.453       209.7980 250.2081 14.09441 217.3569 16.58321 32.85118       21.76362 
1 1 1 16  18 18 o 195.1185 12.33273 1128.448       140.4043 1311.971       210.2086 980.6247       188.6583 209.4330 17.26740 180.6879 18.04419 28.74507       24.97511 
1 1 1 16  18 19 o 135.7309 17.19173 555.9560       133.7860 375.9606       206.6944 685.7377       175.5112 109.2692 30.88827 150.1762 20.45899 -40.90694      37.04937 
1 1 1 16  18 20 o 224.4027 10.19765 1487.101       133.8573 1519.438       211.8362 1465.606       172.7063 225.6632 16.11223 222.2218 13.31271 3.441422       20.90054 
1 1 1 16  18 21 o 186.5104 11.62972 1031.151       126.5775 1029.467       209.8367 1032.114       158.7028 184.5307 19.69332 186.0113 14.66629 -1.480652      24.55457 
1 1 1 16  18 22 o 174.6215 11.76413 905.0209       119.7750 1131.641       209.9753 795.7163       145.8270 193.7220 18.71428 162.9516 15.44341 30.77043       24.26362 
1 1 1 16  18 23 o 86.99306 21.12559 236.7851       106.6921 342.4442       214.3690 201.9946       123.0097 104.2826 31.99871 80.92434 24.11464 23.35825       40.06786 
1 1 1 16  18 24 o 362.2118 8.435654 3865.458       179.1974 4233.100       302.1432 3665.967       222.5674 377.3602 13.67493 352.0514 10.79240 25.30884       17.42067 
1 1 1 16  18 25 o 396.7701 8.340324 4639.239       194.0763 4948.736       313.5428 4447.011       247.1025 408.1078 13.11704 387.6441 10.87986 20.46378       17.04195 
1 1 1 16  18 26 o 82.72808 22.13277 215.3246       109.4831 398.3615       285.3002 183.7154       118.5603 111.8498 37.19920 77.30142 23.81103 34.54841       44.16724 
1 1 1 16  18 27 o 146.5777 14.31840 646.3627       121.5194 566.6537       279.4662 664.9476       134.9445 130.1084 35.59908 148.3019 15.75608 -18.19350      38.93005 
1 1 1 16  18 28 o 206.9831 10.77530 1272.995       130.3518 1476.265       275.1589 1214.176       148.0145 218.7471 21.73542 201.6503 12.57833 17.09683       25.11261 
1 1 1 16  18 29 o 77.88950 22.13928 192.3427       105.8915 -52.45154      222.7553 263.8111       120.3606 64.58149 28.84069 90.70338 22.68615 -26.12189      36.69396 
1 1 1 16  18 30 o 61.94305 21.96308 107.3185       99.92947 -154.5328      213.4434 180.8259       113.0892 56.57023 26.35690 75.60968 23.24890 -19.03945      35.14538 
1 1 1 16  18 31 o 92.91122 20.15286 276.9309       106.6472 191.3364       227.6007 301.0110       120.7200 83.76318 32.46581 96.35415 21.86568 -12.59097      39.14251 
1 1 1 16  18 32 o 83.51886 21.03501 226.8752       102.9611 36.81374       227.5916 275.7827       115.4508 69.88939 30.23591 91.91599 21.75682 -22.02660      37.25009 
1 1 1 16  18 33 o 75.33488 21.39148 184.8287       98.90905 297.3691       241.1045 162.0568       108.4552 93.96286 34.01975 71.28143 22.88817 22.68143       41.00258 
1 1 1 16  18 34 o 251.6492 9.244146 1889.071       136.1991 1848.131       277.4564 1902.068       156.3307 241.7665 19.73975 251.8400 10.60822 -10.07350      22.40964 
1 1 1 16  18 35 o 199.2272 10.46016 1193.378       121.7905 1339.490       260.7305 1152.600       137.7412 202.6743 22.30348 194.9711 12.10573 7.703232       25.37703 
1 1 1 16  18 36 o 51.34517 20.88091 47.05935       98.58555 -194.6867      230.1509 101.3839       109.1016 55.08922 26.18309 60.58434 22.71651 -5.495113      34.66402 
1 1 1 16  18 37 o 117.9001 15.97981 438.3794       107.6516 565.5673       226.3656 401.2073       122.3759 123.2273 31.27452 110.8611 19.53548 12.36621       36.87452 
1 1 1 16  18 38 o 109.5198 19.82457 395.2614       122.6482 750.3182       262.3169 295.9270       138.7481 140.3642 32.50583 91.66911 25.08420 48.69509       41.05905 
1 1 1 16  18 39 o 44.38482 20.41885 -60.45038      122.1899 48.83871       262.6964 -90.62335      138.0304 70.41410 31.39091 45.27494 21.12785 25.13916       37.83880 
1 1 1 16  18 40 o 65.16305 23.57191 134.5434       115.7206 204.8176       259.1830 117.0466       129.3268 80.61517 33.43277 63.68771 24.52942 16.92746       41.46616 
1 1 1 16  18 41 o 89.28146 32.33194 311.0522       217.7899 324.1256       275.7520 289.3754       355.0768 90.23369 35.51304 88.72247 38.06829 1.511223       52.06123 
1 1 1 16  18 42 o 65.27747 23.61419 137.7659       116.1374 91.67177       122.3869 554.8398       368.1448 59.32184 23.56056 106.1914 41.25393 -46.86953      47.50776 
1 1 1 16  19 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  19 1  o 326.1396 17.53418 3165.260       334.1488 0.000000       0.000000 3165.260       334.1488 ?        ?        326.1396 17.53418 0.000000       17.53418 
1 1 1 16  19 2  o 59.06094 18.71756 102.1076       72.71983 113.8740       76.92716 3.281460       222.9436 61.96154 19.19627 70.63680 30.23351 -8.675262      35.81288 
1 1 1 16  19 3  f 139.8516 11.87709 580.8115       96.49489 568.0745       104.8911 650.9515       246.1431 138.1083 13.10683 143.9434 30.12574 -5.835114      32.85345 
1 1 1 16  19 4  o 83.72752 17.51285 215.6835       83.22666 223.8476       88.33385 151.1426       248.3649 85.22329 18.22511 86.60973 33.81681 -1.386436      38.41525 
1 1 1 16  19 5  o 76.27238 18.64490 179.8200       82.68975 194.5038       88.02650 69.61764       241.1512 79.29185 19.14742 78.50596 32.37389 0.7858963      37.61239 
1 1 1 16  19 6  o 309.9623 9.532539 2830.728       173.0819 2742.080       196.0011 3144.672       368.8487 304.8287 10.98152 324.3430 19.48047 -19.51428      22.36252 
1 1 1 16  19 7  o 338.3015 13.65164 3388.372       270.3002 3700.388       392.3157 3106.409       372.9441 351.9905 19.07569 322.1766 19.83397 29.81387       27.51850 
1 1 1 16  19 8  f 196.9433 12.22651 1149.181       140.5229 1149.181       140.5229 0.000000       0.000000 196.9433 12.22651 ?        ?        0.000000       12.22651 
1 1 1 16  19 9  o 238.7062 10.87322 1683.181       151.8205 1683.181       151.8205 0.000000       0.000000 238.7062 10.87322 ?        ?        0.000000       10.87322 
1 1 1 16  19 10 o 245.2946 11.15982 1777.994       160.1241 1777.994       160.1241 0.000000       0.000000 245.2946 11.15982 ?        ?        0.000000       11.15982 
1 1 1 16  19 11 o 318.7556 17.45187 3030.234       325.0051 3030.234       325.0051 0.000000       0.000000 318.7556 17.45187 ?        ?        0.000000       17.45187 
1 1 1 16  19 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  19 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  19 14 o 245.4269 10.62822 1778.824       152.6169 1580.910       189.9816 2138.934       256.2657 230.7085 14.10845 267.9324 16.38690 -37.22397      21.62357 
1 1 1 16  19 15 o 299.1101 9.260428 2636.332       162.2517 2752.820       205.2029 2442.030       265.0227 305.2581 11.48261 286.5126 15.83364 18.74545       19.55900 
1 1 1 16  19 16 f 183.8262 16.42391 1010.738       175.2024 1266.045       358.4282 930.5854       200.8300 201.2560 31.39104 175.5181 19.85837 25.73790       37.14502 
1 1 1 16  19 17 o 213.5894 11.36329 1349.378       141.8301 1275.411       190.8810 1440.551       211.9212 206.7826 15.86083 219.6705 16.57168 -12.88792      22.93876 
1 1 1 16  19 18 o 172.4871 12.79495 883.8209       128.5115 940.9587       187.6810 833.3828       176.3347 176.8403 18.36329 166.3109 18.38525 10.52940       25.98515 
1 1 1 16  19 19 o 69.25204 23.39361 135.6471       112.7863 81.74369       174.1642 174.5794       148.0150 70.13302 28.02280 78.52242 26.79584 -8.389397      38.77234 
1 1 1 16  19 20 o 323.4006 8.590605 3080.943       162.7910 3249.326       242.5065 2942.828       219.6318 331.2921 12.50380 315.4021 11.89485 15.89001       17.25782 
1 1 1 16  19 21 o 109.5290 17.56322 366.3051       109.0077 248.6809       183.1508 430.8292       135.6505 91.03069 29.78419 118.3078 20.27995 -27.27712      36.03296 
1 1 1 16  19 22 o 167.8758 10.86422 835.7737       106.3895 1203.669       204.1331 698.5782       124.6584 199.9940 17.58268 152.8030 14.06819 47.19099       22.51810 
1 1 1 16  19 23 o 239.7226 8.721331 1695.886       122.4102 1509.689       210.5525 1790.953       150.4486 224.4233 16.10419 246.0236 10.45085 -21.60030      19.19805 
1 1 1 16  19 24 o 121.6422 14.43539 446.1827       100.9770 269.7861       207.9828 500.5860       115.5035 94.43794 31.76724 128.6520 15.62852 -34.21408      35.40350 
1 1 1 16  19 25 o 182.2363 10.36686 984.7948       110.3411 963.8059       226.2757 991.3429       126.3865 176.7818 22.32146 182.5293 11.87079 -5.747528      25.28168 
1 1 1 16  19 26 o 157.7165 12.07917 742.1622       110.8784 968.2106       225.9303 670.4457       127.2574 176.9861 22.25736 149.2181 14.73363 27.76801       26.69213 
1 1 1 16  19 27 o 273.3911 8.657144 2208.673       138.6315 2263.018       246.0822 2183.407       167.7909 274.5081 15.34642 271.3131 10.56521 3.194916       18.63159 
1 1 1 16  19 28 o 99.90695 18.38282 311.3266       103.7428 143.7661       259.3767 343.2371       113.1910 84.09659 33.98980 104.7938 19.12164 -20.69723      38.99928 
1 1 1 16  19 29 o 170.0509 11.10498 864.0237       110.1449 631.7853       246.4443 921.9933       123.1267 136.6342 31.41222 175.4040 12.04218 -38.76979      33.64137 
1 1 1 16  19 30 o 86.45627 20.32549 240.2120       101.3119 274.6509       238.1681 232.6036       111.9451 93.14443 33.79945 84.65413 22.25738 8.490303       40.46967 
1 1 1 16  19 31 o 71.04784 21.58471 161.1011       97.85946 53.77415       230.1548 184.7864       108.1196 71.59877 30.68347 75.64680 22.62387 -4.048035      38.12236 
1 1 1 16  19 32 f 71.70163 21.24649 165.8318       95.70238 434.1915       235.7868 112.9016       104.7159 109.8617 33.53035 62.72133 22.45665 47.14034       40.35574 
1 1 1 16  19 33 o 132.2649 12.87597 532.8598       98.61645 614.9418       244.7898 516.9571       107.7468 130.8900 32.13035 129.6558 14.41303 1.234116       35.21498 
1 1 1 16  19 34 o 117.9984 14.96210 432.3084       101.2181 136.4030       243.2207 494.2898       111.3152 77.68179 32.31603 126.0956 15.36950 -48.41380      35.78474 
1 1 1 16  19 35 f 90.51486 19.08363 267.1639       98.10863 198.6207       245.9890 280.1293       106.9860 82.39386 33.17203 92.17472 20.33710 -9.780861      38.90991 
1 1 1 16  19 36 o 101.3616 17.51365 329.7792       100.3480 213.7587       239.6670 354.4420       110.5001 82.76738 32.93836 104.5650 18.70556 -21.79763      37.87920 
1 1 1 16  19 37 o 104.9051 17.70037 354.9719       105.0289 405.2870       238.5644 342.8750       116.9752 101.7591 34.02019 101.6603 20.33051 0.9877777E-01  39.63210 
1 1 1 16  19 38 o 35.31590 16.92724 -122.2649      100.5483 -274.7784      233.0050 -87.36540      111.4603 51.33097 24.88973 40.18427 18.82807 11.14670       31.20889 
1 1 1 16  19 39 o 54.09002 20.49460 79.04979       89.32405 101.4738       91.24284 -437.3466      437.8582 58.06750 20.94088 66.72431 32.73351 -8.656815      38.85876 
1 1 1 16  19 40 o 60.73091 21.65496 115.4830       97.27127 100.8686       100.1851 355.8178       406.2761 58.57116 21.80719 93.57685 40.44051 -35.00570      45.94550 
1 1 1 16  19 41 o 44.06049 19.65272 -16.61724      103.1070 -51.51273      107.4045 393.4529       368.1857 41.81279 19.20187 95.18358 39.69161 -53.37079      44.09235 
1 1 1 16  20 0  o 391.8740 11.40005 4531.902       261.7230 4618.954       350.9239 4422.787       392.8848 394.6564 15.18990 385.4908 17.42307 9.165588       23.11485 
1 1 1 16  20 1  o 140.4289 11.45558 585.3209       93.52715 571.5369       103.3268 647.8229       220.0259 138.5349 12.86452 144.2534 26.99954 -5.718552      29.90771 
1 1 1 16  20 2  o 189.2616 10.05096 1057.891       111.1631 1072.624       124.3546 999.2888       248.0066 190.4188 11.18454 180.9215 23.96204 9.497314       26.44378 
1 1 1 16  20 3  o 126.8469 11.70963 478.6045       86.12839 502.4877       93.04277 335.5957       227.6764 129.8968 12.36219 104.7691 33.10883 25.12766       35.34145 
1 1 1 16  20 4  o 164.2464 10.65347 798.3226       102.0676 793.5958       111.0523 824.0389       259.0298 163.6118 11.64965 162.7127 28.16352 0.8990936      30.47783 
1 1 1 16  20 5  o 153.2923 11.17016 696.5148       99.73315 735.7704       107.2235 444.6318       271.6055 157.4965 11.69168 118.8687 35.92741 38.62781       37.78193 
1 1 1 16  20 6  o 104.0982 13.44734 325.5382       80.18141 306.9561       84.36985 498.8744       257.6821 100.7952 14.70539 125.0731 34.16809 -24.27785      37.19821 
1 1 1 16  20 7  o 341.1583 12.80076 3443.213       255.6651 3309.836       344.6951 3606.321       381.1819 333.1389 17.70605 347.4214 18.77769 -14.28253      25.80903 
1 1 1 16  20 8  o 168.0101 10.31532 834.8857       101.1509 926.3189       109.5804 308.2423       262.9900 176.9617 10.60720 103.2766 35.70107 73.68515       37.24351 
1 1 1 16  20 9  o 128.9486 12.26610 495.3646       91.64684 495.3646       91.64684 0.000000       0.000000 128.9486 12.26610 ?        ?        0.000000       12.26610 
1 1 1 16  20 10 o 387.2425 18.09022 4474.196       409.7089 4474.196       409.7089 0.000000       0.000000 387.2425 18.09022 ?        ?        0.000000       18.09022 
1 1 1 16  20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  20 13 o 360.3188 14.69828 3851.528       309.9498 3851.528       309.9498 0.000000       0.000000 360.3188 14.69828 ?        ?        0.000000       14.69828 
1 1 1 16  20 14 o 130.6910 38.43555 547.1622       314.1710 547.1622       314.1710 0.000000       0.000000 130.6910 38.43555 ?        ?        0.000000       38.43555 
1 1 1 16  20 15 o 204.5907 10.96188 1237.640       131.0488 1393.711       159.8174 917.3250       228.9555 216.8624 12.62031 173.3595 23.09307 43.50288       26.31657 
1 1 1 16  20 16 o 452.6871 9.392628 6033.740       249.3651 5733.686       317.6782 6515.413       402.4974 440.4774 12.30947 468.8213 14.65680 -28.34390      19.14013 
1 1 1 16  20 17 o 36.96922 17.53098 -121.9581      102.0296 35.34644       128.2027 -393.7091      168.5048 57.52696 23.65143 39.09721 19.38808 18.42975       30.58248 
1 1 1 16  20 18 o 124.8204 14.68877 467.9110       105.4719 513.9318       143.9670 414.5949       154.9583 129.8063 19.51442 115.3241 23.70377 14.48219       30.70312 
1 1 1 16  20 19 o 104.3615 17.05698 332.3105       100.7953 314.5705       153.0278 345.9050       133.9597 99.95604 25.89711 105.3286 22.37707 -5.372520      34.22563 
1 1 1 16  20 20 o 107.7714 16.52083 353.4003       101.0961 610.7217       168.4198 208.4589       126.4013 141.1580 20.98115 82.25589 24.42848 58.90208       32.20185 
1 1 1 16  20 21 o 130.7415 12.86954 511.0918       97.40166 609.3682       173.9736 466.2232       117.5520 140.6025 21.80352 124.0042 16.57878 16.59831       27.39069 
1 1 1 16  20 22 o 334.0641 7.803521 3285.838       152.8871 3688.802       253.0490 3054.179       191.8649 352.7034 12.25193 321.4554 10.18998 31.24799       15.93566 
1 1 1 16  20 23 o 132.8455 11.93244 526.8150       91.97710 602.8175       184.6527 501.7352       106.0726 138.9863 23.48953 129.1295 14.24275 9.856796       27.47024 
1 1 1 16  20 24 o 269.4140 8.234754 2141.244       129.9604 2086.003       212.5580 2174.223       164.2339 264.5011 13.74969 271.0146 10.35187 -6.513519      17.21091 
1 1 1 16  20 25 o 190.1878 9.669168 1071.335       107.4966 1105.148       207.5769 1058.944       125.6591 190.5988 18.81498 188.7151 11.40694 1.883774       22.00277 
1 1 1 16  20 26 o 224.3767 8.872140 1488.900       116.5198 1701.852       231.9776 1417.045       134.7517 237.4127 16.76852 218.5031 10.54655 18.90962       19.80941 
1 1 1 16  20 27 f 216.0876 9.041594 1382.712       114.3312 1396.031       215.6347 1377.504       134.8456 214.3946 17.29630 215.2569 10.71511 -0.8622742     20.34639 
1 1 1 16  20 28 o 152.7867 11.46548 698.7423       101.9880 439.1921       246.1177 752.5513       112.0623 113.3257 34.18892 158.3958 12.15619 -45.07012      36.28575 
1 1 1 16  20 29 o 93.39468 17.16578 273.3441       90.55972 236.4386       196.2582 283.3277       102.0764 87.06697 30.78812 94.49722 19.07669 -7.430252      36.21917 
1 1 1 16  20 30 o 126.8114 12.87158 487.9468       94.40361 535.7015       247.8250 479.8411       102.1016 122.7906 33.49333 125.3147 14.13906 -2.524101      36.35542 
1 1 1 16  20 31 o 109.9471 14.70960 372.8839       92.47198 288.9544       254.6753 385.6295       99.24536 93.83522 34.80081 111.5078 15.60236 -17.67258      38.13830 
1 1 1 16  20 32 o 123.7797 13.46924 468.5811       96.20334 584.7188       264.8098 450.9225       103.2584 125.8959 34.73538 120.8589 14.88178 5.037018       37.78907 
1 1 1 16  20 33 o 70.26057 20.59364 160.6104       90.32152 -230.7595      258.5108 215.0299       96.39675 57.92177 27.59160 80.94149 20.33531 -23.01972      34.27567 
1 1 1 16  20 34 o 138.0819 12.09070 580.5225       96.92577 944.9537       263.3174 523.4053       104.2450 164.7509 28.26972 130.3134 13.85203 34.43755       31.48104 
1 1 1 16  20 35 o 136.9972 12.64585 574.5067       100.4577 582.5325       252.1101 572.9919       109.5286 123.3405 33.83789 136.2274 13.90396 -12.88692      36.58309 
1 1 1 16  20 36 f 97.70094 32.27978 361.2784       214.9259 506.3299       236.8484 -315.2545      511.5096 114.3301 33.30288 76.45988 37.02769 37.87027       49.80092 
1 1 1 16  20 37 o 70.94371 20.77821 168.6549       91.97767 163.3023       93.59888 319.1656       496.3309 69.87027 21.08488 96.08915 42.97105 -26.21888      47.86526 
1 1 1 16  20 38 o 58.05562 21.15700 100.0120       93.45769 110.7099       95.11834 -198.3628      502.3388 60.01884 21.41256 77.24628 37.23236 -17.22743      42.95051 
1 1 1 16  20 39 o 97.49224 17.74576 310.7575       97.72792 285.1109       100.2855 794.4249       435.5083 92.55833 19.10796 122.2339 45.47533 -29.67554      49.32666 
1 1 1 16  20 40 o 39.31857 17.90177 -37.84684      90.74885 4.197890       93.81824 -649.0519      357.7050 44.35675 19.29968 54.46041 27.20567 -10.10366      33.35605 
1 1 1 16  20 41 o 58.56949 22.70298 95.09657       111.3053 103.2754       116.1233 2.623699       390.4634 60.18169 23.22654 75.43479 35.31075 -15.25311      42.26489 
1 1 1 16  21 0  o 332.6257 10.48458 3264.061       204.2746 3093.889       259.6081 3540.705       331.0051 323.1298 13.73035 344.9673 16.40790 -21.83746      21.39490 
1 1 1 16  21 1  o 491.8573 10.43356 7129.843       300.9692 7511.388       371.6999 6403.436       512.8729 504.2770 12.56819 463.1140 18.92287 41.16296       22.71639 
1 1 1 16  21 2  o 295.1792 9.555282 2568.452       165.1989 2555.909       196.5538 2598.632       304.8808 294.1281 11.41615 295.0498 17.70051 -0.9216919     21.06268 
1 1 1 16  21 3  o 96.70083 13.82801 282.0749       76.19237 296.6150       80.53820 158.1478       235.1257 99.12436 14.26402 85.54224 33.04065 13.58212       35.98814 
1 1 1 16  21 4  o 97.81309 13.56873 288.2044       75.74369 318.5523       79.45025 -14.46919      250.9103 102.9388 13.48418 73.18120 31.70342 29.75757       34.45185 
1 1 1 16  21 5  o 222.7855 9.645757 1464.498       125.7313 1470.580       139.4679 1438.106       290.5308 223.0915 10.69071 217.6130 23.11775 5.478516       25.47001 
1 1 1 16  21 6  o 354.1824 9.744659 3697.861       202.2233 3616.507       235.3680 3927.244       395.2186 349.9054 11.48511 362.5244 18.65143 -12.61893      21.90396 
1 1 1 16  21 7  o 252.2977 9.377227 1876.934       138.5102 1921.450       155.9911 1711.040       301.1317 255.1075 10.44831 237.9510 21.82108 17.15649       24.19353 
1 1 1 16  21 8  o 300.4142 9.590824 2660.677       168.7602 2826.870       196.6400 2196.063       328.7853 309.4343 10.85240 270.1079 20.91799 39.32635       23.56559 
1 1 1 16  21 9  o 310.8909 13.21422 2862.806       240.3857 2862.806       240.3857 0.000000       0.000000 310.8909 13.21422 ?        ?        0.000000       13.21422 
1 1 1 16  21 10 o 358.5367 14.32347 3811.920       300.5782 3811.920       300.5782 0.000000       0.000000 358.5367 14.32347 ?        ?        0.000000       14.32347 
1 1 1 16  21 11 o 159.9834 35.29512 821.6875       322.2632 821.6875       322.2632 0.000000       0.000000 159.9834 35.29512 ?        ?        0.000000       35.29512 
1 1 1 16  21 12 o 243.8604 12.25832 1760.326       174.7543 1760.326       174.7543 0.000000       0.000000 243.8604 12.25832 ?        ?        0.000000       12.25832 
1 1 1 16  21 13 o 224.2619 12.36617 1489.605       162.0156 1489.605       162.0156 0.000000       0.000000 224.2619 12.36617 ?        ?        0.000000       12.36617 
1 1 1 16  21 14 o 418.0821 14.84925 5184.050       363.5185 0.000000       0.000000 5184.050       363.5185 ?        ?        418.0821 14.84925 0.000000       14.84925 
1 1 1 16  21 15 o 279.6168 9.301560 2304.550       152.3227 2205.145       186.1308 2506.115       265.0470 273.1115 11.64733 290.2715 15.62687 -17.16006      19.48997 
1 1 1 16  21 16 o 66.29179 20.56419 131.2189       88.24915 248.2602       100.1263 -276.1818      186.8056 89.49847 19.61815 47.17585 22.73005 42.32263       30.02544 
1 1 1 16  21 17 o 442.8582 8.878235 5774.214       230.5907 6073.117       322.8701 5463.025       329.4381 453.2231 12.15787 429.5565 13.09213 23.66666       17.86667 
1 1 1 16  21 18 o 283.7945 8.306950 2372.573       138.1111 2481.972       194.3727 2261.019       196.2783 289.6763 11.46384 276.3144 12.14172 13.36191       16.69853 
1 1 1 16  21 19 o 117.8774 13.11290 416.3995       89.11993 487.9112       125.6772 344.0686       126.3951 126.7833 17.35746 105.1935 21.22048 21.58986       27.41514 
1 1 1 16  21 20 o 85.23452 17.56735 224.8048       84.89468 400.1628       127.1040 83.56904       114.0693 113.9114 19.74069 61.06775 23.15510 52.84369       30.42784 
1 1 1 16  21 21 o 124.3136 11.81906 461.4417       85.13374 446.5097       143.8447 469.4919       105.6182 119.9584 21.22255 124.7993 14.71276 -4.840950      25.82366 
1 1 1 16  21 22 o 362.7121 7.643673 3874.021       162.5978 3982.959       252.3361 3796.673       212.6256 366.5514 11.75319 358.3686 10.12677 8.182770       15.51415 
1 1 1 16  21 23 o 99.14114 14.03929 298.0244       79.34906 264.7299       156.7990 309.4861       91.99884 91.58994 27.20953 100.5627 16.14519 -8.972763      31.63899 
1 1 1 16  21 24 o 115.6744 12.73762 402.0802       84.98373 428.4475       176.6646 394.1416       96.93642 115.5117 26.62402 114.0228 14.84824 1.488953       30.48457 
1 1 1 16  21 25 o 224.8138 8.366133 1493.281       110.1134 1565.926       202.5373 1462.800       131.1968 228.2808 15.21497 222.1231 10.09756 6.157715       18.26078 
1 1 1 16  21 26 o 126.7839 11.36609 481.0267       83.61762 707.5991       176.4967 415.4543       94.94965 151.0631 20.44617 117.0903 14.11095 33.97280       24.84281 
1 1 1 16  21 27 o 250.6804 8.549907 1860.296       125.5152 1840.794       285.1383 1864.983       139.7868 244.2477 20.08281 250.7120 9.524255 -6.464279      22.22680 
1 1 1 16  21 28 o 128.4194 10.62629 494.0089       79.31604 996.2061       186.6728 383.3712       87.61847 179.7465 17.94773 112.2212 13.58934 67.52530       22.51202 
1 1 1 16  21 29 o 46.46034 18.73405 34.88100       78.58991 157.6474       257.6273 22.28451       82.52335 82.80917 33.72578 45.46154 18.86042 37.34763       38.64122 
1 1 1 16  21 30 f 200.0268 8.297640 1188.432       97.12906 1540.730       204.9796 1086.427       110.2979 224.2752 15.68283 190.7178 9.894938 33.55740       18.54349 
1 1 1 16  21 31 o 184.8795 8.963326 1018.661       96.89750 867.0470       207.8880 1060.741       109.5221 163.9486 22.18991 188.3195 9.951775 -24.37094      24.31933 
1 1 1 16  21 32 o 165.0160 9.967805 816.3701       96.01659 584.2427       258.0998 853.6552       103.4408 125.4267 34.16751 168.5484 10.51686 -43.12171      35.74945 
1 1 1 16  21 33 o 78.07680 30.97001 172.4825       211.2139 224.3791       236.8355 -29.19132      466.8770 84.55835 33.02063 84.54556 39.25165 0.1278687E-01  51.29380 
1 1 1 16  21 34 o 28.86649 13.74555 -76.31964      64.03197 -82.17304      64.65617 222.4596       461.9352 28.57865 13.66459 93.91740 41.76238 -65.33875      43.94106 
1 1 1 16  21 35 o 153.0935 11.73730 713.4144       104.5805 736.4147       106.8488 188.9040       510.2471 155.5229 11.80265 92.97530 42.37698 62.54763       43.98990 
1 1 1 16  21 36 o 89.20087 18.90056 262.1930       95.79935 270.6147       97.91737 73.81469       463.0999 90.59016 19.03602 85.10716 39.36604 5.483002       43.72705 
1 1 1 16  21 37 o 56.12468 21.37465 85.31050       97.46447 105.1990       99.42481 -404.1762      493.2467 59.48587 21.79930 71.60856 35.04894 -12.12268      41.27515 
1 1 1 16  21 38 f 71.38679 22.20038 173.4563       102.7789 158.8580       105.4658 449.0660       458.2560 68.77653 22.60702 99.92820 43.06610 -31.15167      48.63914 
1 1 1 16  21 39 o 175.1200 12.02514 941.6676       122.7530 1011.025       128.9224 268.5830       401.6222 181.3674 12.19127 88.49290 39.16710 92.87449       41.02059 
1 1 1 16  21 40 o 51.66194 20.46934 62.87168       92.17014 73.94732       96.52321 -51.67891      310.4174 53.89775 21.07079 67.98225 31.71100 -14.08449      38.07316 
1 1 1 16  22 0  o 349.2244 10.77988 3599.821       220.5204 3721.094       293.5856 3442.822       334.0425 354.2291 14.16042 339.9233 16.80812 14.30585       21.97795 
1 1 1 16  22 1  o 331.9228 10.70753 3251.958       208.1652 3380.501       273.1555 3073.891       321.4968 337.6966 13.82138 321.0532 17.13663 16.64340       22.01578 
1 1 1 16  22 2  o 182.4874 10.32552 984.6538       110.0576 998.0386       125.6964 940.6808       227.8298 183.5075 11.74094 175.6045 22.64889 7.902985       25.51121 
1 1 1 16  22 3  o 359.8084 9.850295 3816.922       207.6645 3892.248       250.3314 3650.689       371.8788 362.9254 11.77668 349.6039 18.20005 13.32147       21.67792 
1 1 1 16  22 4  o 247.9762 9.627802 1813.928       139.7532 1785.232       159.5033 1908.753       289.9509 245.7649 11.09483 252.0384 19.77409 -6.273438      22.67399 
1 1 1 16  22 5  o 165.2376 10.68014 808.3417       102.9447 784.4921       112.0074 938.0859       261.2466 162.5947 11.82685 174.1998 26.39742 -11.60507      28.92574 
1 1 1 16  22 6  o 39.50411 16.73054 3.194295       67.02292 0.5641118      69.49333 38.22740       253.6235 39.82275 16.95729 77.35566 32.64273 -37.53291      36.78448 
1 1 1 16  22 7  o 82.36783 15.99688 208.0583       74.48962 218.3680       77.48715 82.48521       270.4301 84.38641 16.24641 82.92809 34.24859 1.458321       37.90662 
1 1 1 16  22 8  o 365.9663 11.22240 3954.539       240.5824 3954.539       240.5824 0.000000       0.000000 365.9663 11.22240 ?        ?        0.000000       11.22240 
1 1 1 16  22 9  f 355.3517 11.25379 3728.676       234.2394 3728.676       234.2394 0.000000       0.000000 355.3517 11.25379 ?        ?        0.000000       11.25379 
1 1 1 16  22 10 o 569.0427 18.38395 9655.066       612.7226 9655.066       612.7226 0.000000       0.000000 569.0427 18.38395 ?        ?        0.000000       18.38395 
1 1 1 16  22 11 o 62.36337 30.35338 -590.5403      355.3611 -590.5403      355.3611 0.000000       0.000000 62.36337 30.35338 ?        ?        0.000000       30.35338 
1 1 1 16  22 12 o 174.4143 36.71909 978.2133       363.7021 978.2133       363.7021 0.000000       0.000000 174.4143 36.71909 ?        ?        0.000000       36.71909 
1 1 1 16  22 13 o 502.1099 18.15245 7517.275       533.6658 7517.275       533.6658 0.000000       0.000000 502.1099 18.15245 ?        ?        0.000000       18.15245 
1 1 1 16  22 14 o 506.8550 18.18544 7662.783       539.7015 7662.783       539.7015 0.000000       0.000000 506.8550 18.18544 ?        ?        0.000000       18.18544 
1 1 1 16  22 15 o 81.19302 16.01724 202.4186       73.56015 267.3153       79.85484 -161.2169      189.0266 93.81884 15.01958 53.42193 24.86097 40.39691       29.04575 
1 1 1 16  22 16 o 319.6812 8.487389 3010.323       158.9854 3207.346       213.3094 2764.086       238.4669 329.4736 11.05489 305.2957 13.35083 24.17789       17.33364 
1 1 1 16  22 17 o 107.8394 11.95848 347.8423       74.36191 393.3869       86.95829 223.9045       143.4479 114.5368 13.18571 85.46362 26.16663 29.07320       29.30112 
1 1 1 16  22 18 f 214.3359 7.910995 1353.958       99.27290 1320.842       134.2162 1393.961       147.5097 211.2203 10.87132 216.8536 11.64121 -5.633362      15.92807 
1 1 1 16  22 19 o 308.2546 11.03211 2811.814       199.1214 2811.814       199.1214 0.000000       0.000000 308.2546 11.03211 ?        ?        0.000000       11.03211 
1 1 1 16  22 20 o 195.5869 7.451039 1127.656       85.31242 1258.046       132.8512 1036.151       111.2916 205.9785 11.03779 187.0387 10.18409 18.93988       15.01827 
1 1 1 16  22 21 o 279.1886 7.298916 2296.090       119.4081 2370.129       187.6396 2245.700       154.7972 282.7590 11.33807 275.6517 9.589893 7.107269       14.84984 
1 1 1 16  22 22 o 88.91634 12.39624 238.8965       62.88815 294.2706       102.6923 205.6683       79.54960 97.36900 18.66220 81.36978 17.20805 15.99921       25.38493 
1 1 1 16  22 23 o 106.9915 10.72357 342.1001       66.38223 482.7498       118.8005 278.2503       80.04395 125.9296 16.48082 95.51251 14.76528 30.41706       22.12761 
1 1 1 16  22 24 o 214.3057 8.708104 1358.054       109.2201 1368.481       307.7159 1356.551       116.8267 208.6908 25.68287 214.0558 9.328428 -5.365021      27.32452 
1 1 1 16  22 25 o 66.19463 17.89206 137.0169       71.10266 29.08717       273.6955 144.8282       73.63071 77.03994 33.24273 67.98690 18.13342 9.053040       37.86687 
1 1 1 16  22 26 o 101.9162 12.12467 313.8130       71.05186 232.4880       256.9428 320.5467       73.93488 91.23489 34.71492 102.9239 12.50476 -11.68896      36.89843 
1 1 1 16  22 27 o 168.1869 8.564422 839.5606       84.19930 566.6567       247.7043 875.2126       89.53040 127.9083 32.85073 171.6420 8.924640 -43.73373      34.04144 
1 1 1 16  22 28 f 66.75555 15.23659 140.2372       58.33345 350.4509       150.2103 102.9042       63.30176 102.7305 25.13977 57.56396 17.33288 45.16658       30.53583 
1 1 1 16  22 29 o 131.7783 9.047206 518.2991       69.49694 702.7112       172.0776 482.3569       75.96818 148.8630 20.23327 126.7717 10.30667 22.09126       22.70711 
1 1 1 16  22 30 o 155.2931 10.05034 722.4379       91.04266 719.7708       92.48425 805.9957       517.6567 154.9447 10.23481 134.2811 49.64943 20.66364       50.69336 
1 1 1 16  22 31 o 25.48048 12.37474 -96.18767      58.19906 -95.27389      58.55364 -170.9507      529.6358 25.66680 12.45292 85.30838 40.30122 -59.64158      42.18132 
1 1 1 16  22 32 o 175.6189 10.02437 925.9517       102.8185 956.3059       105.4115 331.6290       466.4334 178.4458 10.11376 100.9352 43.47389 77.51070       44.63482 
1 1 1 16  22 33 o 175.3067 10.48947 926.1038       107.3524 946.0631       110.3036 568.0046       467.2166 177.1103 10.66875 113.0745 45.64842 64.03576       46.87857 
1 1 1 16  22 34 o 107.3550 15.72552 363.6351       96.07452 363.1567       97.95155 375.7594       493.1212 107.1124 16.08948 100.9283 44.07485 6.184143       46.91976 
1 1 1 16  22 35 o 111.8221 14.82307 392.3658       94.81918 382.5700       96.88750 614.4779       461.3555 110.1070 15.42652 112.5557 45.38880 -2.448685      47.93872 
1 1 1 16  22 36 o 84.63983 18.54802 236.5833       89.52256 248.8037       91.17542 -91.32886      472.2969 86.89013 18.46196 79.04413 37.55109 7.846001       41.84409 
1 1 1 16  22 37 o 65.52843 21.34027 142.0586       94.07716 157.6023       96.10931 -213.8927      459.9211 68.48020 21.49392 74.02393 35.66575 -5.543732      41.64174 
1 1 1 16  22 38 o 70.58839 21.86684 170.1500       99.82282 163.5758       103.4720 258.4543       379.2208 69.37331 22.36371 87.64204 38.45198 -18.26873      44.48248 
1 1 1 16  22 39 o 81.86488 23.48175 237.1194       118.5937 237.1194       118.5937 0.000000       0.000000 81.86488 23.48175 ?        ?        0.000000       23.48175 
1 1 1 16  22 40 o 43.17739 19.57884 -33.47719      107.1902 16.76133       113.2251 -467.4196      332.7671 49.16935 21.29903 55.79976 27.59462 -6.630409      34.85846 
1 1 1 16  23 0  o 269.1753 8.535208 2134.399       134.5707 0.000000       0.000000 2134.399       134.5707 ?        ?        269.1753 8.535208 0.000000       8.535208 
1 1 1 16  23 1  o 74.48615 28.81080 115.8278       178.9632 578.5338       354.3537 -42.60352      207.3504 134.0425 41.14242 64.42369 28.34352 69.61882       49.96052 
1 1 1 16  23 2  o 146.6108 23.50225 662.0347       195.2564 314.8357       356.0699 811.3340       233.4936 109.7966 41.06546 162.0499 25.40254 -52.25329      48.28727 
1 1 1 16  23 3  o 40.08134 20.01012 -502.5732      192.1865 -319.4427      357.2667 -577.1461      227.9831 71.85511 33.68053 44.06968 21.96861 27.78543       40.21191 
1 1 1 16  23 4  o 144.0544 10.89264 615.4333       91.34395 604.0812       97.97726 690.8571       252.5459 142.5683 11.82422 147.8622 30.14615 -5.293900      32.38213 
1 1 1 16  23 5  o 275.3892 9.729261 2236.758       156.8897 2273.559       180.4981 2123.035       317.2990 277.4057 11.11699 265.6525 20.52500 11.75317       23.34230 
1 1 1 16  23 6  o 170.5139 10.54384 860.3333       104.9252 877.7225       111.5721 727.2968       308.6026 172.1504 11.11021 150.2224 35.57961 21.92799       37.27392 
1 1 1 16  23 7  o 480.8088 10.61687 6815.221       299.3777 6908.425       353.4899 6578.763       563.0364 483.4386 12.47810 468.5697 20.53847 14.86893       24.03189 
1 1 1 16  23 8  o 253.2567 10.03219 1892.637       148.7124 2046.719       165.6145 1251.241       337.8973 263.2599 10.74923 200.5901 29.61192 62.66982       31.50256 
1 1 1 16  23 9  o 155.2887 39.47197 786.3848       360.1965 786.3848       360.1965 0.000000       0.000000 155.2887 39.47197 ?        ?        0.000000       39.47197 
1 1 1 16  23 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  23 11 o 265.9878 11.29373 2090.948       175.7762 2090.948       175.7762 0.000000       0.000000 265.9878 11.29373 ?        ?        0.000000       11.29373 
1 1 1 16  23 12 o 119.1852 40.70899 428.9571       341.6412 428.9571       341.6412 0.000000       0.000000 119.1852 40.70899 ?        ?        0.000000       40.70899 
1 1 1 16  23 13 o 91.56578 37.96410 104.1094       334.0769 104.1094       334.0769 0.000000       0.000000 91.56578 37.96410 ?        ?        0.000000       37.96410 
1 1 1 16  23 14 f 133.7262 10.51467 530.6206       81.80081 477.1266       86.42661 990.5989       253.4332 126.5638 11.77881 179.4244 24.74211 -52.86056      27.40278 
1 1 1 16  23 15 o 130.1998 10.19648 502.9491       77.23875 522.2310       85.92213 421.7570       176.3145 132.5380 11.15737 115.5286 26.57621 17.00945       28.82328 
1 1 1 16  23 16 o 163.6576 8.969288 791.3876       85.75930 826.2900       101.1370 702.0728       161.7875 167.0286 10.37573 152.1837 18.50706 14.84489       21.21714 
1 1 1 16  23 17 o 271.2359 7.549558 2166.614       119.9766 2200.912       168.4015 2131.261       170.9728 272.8226 10.54468 268.3913 10.88454 4.431274       15.15465 
1 1 1 16  23 18 o 176.3288 7.237103 916.4501       74.68179 949.5399       104.7689 882.2681       106.4840 179.0735 10.01578 172.4952 10.57669 6.578247       14.56647 
1 1 1 16  23 19 f 195.1945 6.670367 1122.061       76.24813 1166.110       114.1931 1086.622       102.4263 198.5010 9.839715 191.7226 9.135634 6.778381       13.42683 
1 1 1 16  23 20 o 245.3974 6.617563 1772.886       95.15289 1717.515       140.4444 1819.869       129.3698 240.9276 9.961048 248.2358 8.900646 -7.308182      13.35829 
1 1 1 16  23 21 o 88.70515 8.172486 233.8656       42.03849 248.3508       60.04410 219.9385       58.87591 90.85807 11.52735 85.30152 12.10857 5.556549       16.71817 
1 1 1 16  23 22 o 168.0437 6.364167 832.0200       62.60786 770.9174       98.90905 872.8688       80.87150 161.0700 10.52829 171.8850 8.044769 -10.81499      13.25003 
1 1 1 16  23 23 f 236.3677 18.74140 1699.924       257.6757 1657.744       303.6815 1808.369       486.9295 231.4919 22.65809 232.5539 36.93544 -1.062073      43.33146 
1 1 1 16  23 24 f 158.4715 7.841768 742.7233       72.65483 525.1202       274.2937 759.1426       75.34608 124.0710 35.75000 160.1821 8.046169 -36.11111      36.64428 
1 1 1 16  23 25 o 93.28148 34.33613 259.8337       247.1075 580.7275       282.3210 -791.2014      510.9414 129.0670 35.96291 71.83134 35.26347 57.23568       50.36708 
1 1 1 16  23 26 o 83.54382 11.35908 211.7361       54.21523 214.6236       54.49728 -65.06669      533.5743 84.12725 11.33360 93.85012 42.98733 -9.722870      44.45628 
1 1 1 16  23 27 o 244.6324 7.852153 1772.727       112.5098 1779.337       114.8458 1615.199       560.6767 245.0410 8.002189 199.7371 48.38086 45.30388       49.03817 
1 1 1 16  23 28 o 113.2055 11.03022 386.5752       72.30456 393.3008       72.93825 4.548937       549.7144 114.1953 11.02775 94.66881 43.46261 19.52646       44.83982 
1 1 1 16  23 29 o 174.1615 8.965013 904.1653       91.26195 928.1882       92.61586 100.4876       535.6910 176.4614 8.978730 96.39154 43.73270 80.06987       44.64490 
1 1 1 16  23 30 o 67.83205 15.67105 146.2917       61.08839 153.5171       61.59954 -283.6718      475.1835 69.55368 15.49776 78.07999 37.25375 -8.526306      40.34876 
1 1 1 16  23 31 o 187.6567 9.257967 1053.073       101.5751 1072.357       104.1524 677.8229       459.4465 189.3103 9.410397 122.7552 46.48780 66.55506       47.43069 
1 1 1 16  23 32 o 126.4204 11.38166 485.5168       83.48405 500.2083       84.93686 67.04421       453.3127 128.3237 11.40464 86.85886 39.72382 41.46481       41.32854 
1 1 1 16  23 33 o 35.31208 15.74279 -19.02847      66.07639 -16.19229      66.73367 -160.8865      471.9591 35.84868 15.91092 78.90655 37.50063 -43.05787      40.73640 
1 1 1 16  23 34 o 60.39300 19.24942 117.0410       76.81905 131.9563       78.06650 -338.5150      431.4383 63.57969 19.27098 69.91810 33.89441 -6.338409      38.98977 
1 1 1 16  23 35 o 79.90054 18.08310 210.0696       82.75396 204.4281       84.24596 365.1253       441.6683 78.60235 18.57206 96.92588 42.02599 -18.32353      45.94676 
1 1 1 16  23 36 o 44.08284 19.13190 4.042900       91.70979 27.40138       93.72245 -522.3627      444.9197 47.31473 19.89765 65.25793 32.20429 -17.94321      37.85542 
1 1 1 16  23 37 o 123.2088 15.70668 482.7679       110.9182 531.1234       115.2140 -129.6375      410.0170 129.4384 15.48404 72.82764 34.70799 56.61073       38.00526 
1 1 1 16  23 38 f 66.94202 22.41720 150.5843       103.5790 141.7632       110.3457 215.9613       300.4057 65.68420 23.09810 82.13155 35.12280 -16.44735      42.03729 
1 1 1 16  23 39 o 115.5873 17.47254 435.4453       114.7519 514.0823       126.3692 65.78326       273.9870 125.6257 17.63698 70.84489 31.78563 54.78085       36.35092 
1 1 1 16  24 0  o 144.3037 14.16194 622.3215       118.3115 -7.556238      381.7840 689.2363       124.4373 89.81327 39.00671 151.9388 14.12651 -62.12557      41.48592 
1 1 1 16  24 1  o 128.8668 12.88566 495.6578       96.08171 0.000000       0.000000 495.6578       96.08171 ?        ?        128.8668 12.88566 0.000000       12.88566 
1 1 1 16  24 2  o 371.4666 8.857991 4061.653       192.9770 3513.765       451.6666 4184.002       213.4392 341.2426 22.69760 376.7619 9.667530 -35.51938      24.67067 
1 1 1 16  24 3  o 168.4341 10.09051 838.9382       99.21966 1399.883       409.7641 804.0010       102.2628 210.3248 34.40815 164.7990 10.63748 45.52580       36.01496 
1 1 1 16  24 4  o 352.1535 8.640979 3649.503       178.4619 2902.365       418.1509 3815.902       197.3368 309.8483 23.17887 359.8615 9.358170 -50.01324      24.99670 
1 1 1 16  24 5  o 112.5228 13.14942 379.2946       85.14143 191.9401       368.4005 389.8663       87.51057 101.3226 40.66376 114.0674 13.33240 -12.74479      42.79362 
1 1 1 16  24 6  o 364.6681 8.673406 3913.503       185.4975 3958.051       441.3822 3903.947       204.4272 363.1156 20.81337 363.9548 9.585588 -0.8392029     22.91462 
1 1 1 16  24 7  o 375.4556 8.352361 4147.398       183.9155 5025.065       461.0049 3981.271       200.5677 409.9479 19.22818 367.5955 9.310863 42.35242       21.36387 
1 1 1 16  24 8  o 396.4429 9.968424 4633.610       231.5864 0.000000       0.000000 4633.610       231.5864 ?        ?        396.4429 9.968424 0.000000       9.968424 
1 1 1 16  24 9  o 104.4017 14.13761 328.4051       84.34095 543.5995       349.7770 315.1207       86.90523 130.5550 41.00800 102.0672 14.96220 28.48782       43.65230 
1 1 1 16  24 10 o 393.4797 18.91675 4630.444       435.2565 4630.444       435.2565 0.000000       0.000000 393.4797 18.91675 ?        ?        0.000000       18.91675 
1 1 1 16  24 11 f 261.0613 24.03765 2072.873       363.9022 2072.873       363.9022 0.000000       0.000000 261.0613 24.03765 ?        ?        0.000000       24.03765 
1 1 1 16  24 12 o 223.9774 26.99003 1546.833       347.3963 1546.833       347.3963 0.000000       0.000000 223.9774 26.99003 ?        ?        0.000000       26.99003 
1 1 1 16  24 13 o 307.2111 22.37303 2857.753       400.3364 2857.753       400.3364 0.000000       0.000000 307.2111 22.37303 ?        ?        0.000000       22.37303 
1 1 1 16  24 14 o 342.0875 12.69229 3468.047       254.1990 3229.292       429.8552 3596.441       315.2239 326.3738 22.59675 347.4780 15.50732 -21.10419      27.40602 
1 1 1 16  24 15 o 166.7386 15.39148 833.6901       148.8128 924.3470       342.8229 812.6420       165.1871 168.3947 35.81551 164.0917 17.43119 4.302979       39.83212 
1 1 1 16  24 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  24 17 o 70.22836 17.91304 153.4164       74.00259 366.6992       333.6309 142.3800       75.89309 111.1886 40.05030 67.78781 18.55289 43.40077       44.13883 
1 1 1 16  24 18 o 61.05965 14.50249 115.3687       51.15770 152.8608       288.2873 114.1497       51.98270 89.17632 35.90804 60.72384 14.74569 28.45248       38.81782 
1 1 1 16  24 19 o 299.0647 18.68496 2701.727       326.0863 2701.727       326.0863 0.000000       0.000000 299.0647 18.68496 ?        ?        0.000000       18.68496 
1 1 1 16  24 20 o 48.15029 23.95709 -627.8784      265.8233 -627.8784      265.8233 0.000000       0.000000 48.15029 23.95709 ?        ?        0.000000       23.95709 
1 1 1 16  24 21 f 142.8733 34.64335 682.5277       287.2478 682.5277       287.2478 0.000000       0.000000 142.8733 34.64335 ?        ?        0.000000       34.64335 
1 1 1 16  24 22 o 131.2443 34.05802 579.3214       264.3867 296.0635       311.9982 1300.822       497.9428 101.8291 38.36523 190.2621 45.28229 -88.43304      59.34962 
1 1 1 16  24 23 f 57.67362 27.37007 -257.7531      249.6240 -379.1969      296.3972 38.55344       462.9746 59.61124 28.69876 95.61982 42.19908 -36.00858      51.03314 
1 1 1 16  24 24 o 92.95223 33.55347 264.4613       234.3204 322.9026       275.2509 110.6146       446.5941 100.8372 36.37054 96.62030 42.07283 4.216858       55.61420 
1 1 1 16  24 25 o 57.88654 27.56362 -262.5172      257.4519 -262.5172      257.4519 0.000000       0.000000 57.88654 27.56362 ?        ?        0.000000       27.56362 
1 1 1 16  24 26 o 44.78407 21.93325 -335.7756      194.0671 -359.4089      213.3534 -222.5004      467.0953 47.11544 23.05872 81.65768 38.35008 -34.54224      44.74855 
1 1 1 16  24 27 o 85.11053 31.12850 226.3844       202.5811 204.8831       222.2410 332.0357       492.6396 83.93538 32.19981 106.3437 45.21138 -22.40836      55.50583 
1 1 1 16  24 28 o 109.1313 31.12824 422.3982       208.9725 360.1749       230.5069 709.5164       495.1512 100.7353 33.43478 128.1056 48.31703 -27.37033      58.75730 
1 1 1 16  24 29 o 65.73752 29.01075 5.711041       218.7997 57.59269       247.2681 -181.4847      469.6876 72.61926 31.46619 80.95785 38.15628 -8.338593      49.45729 
1 1 1 16  24 30 o 56.89971 26.62314 -139.9269      221.5688 -15.80325      254.9325 -523.2211      447.9858 68.05849 30.58779 68.43824 33.47712 -0.3797531     45.34677 
1 1 1 16  24 31 o 100.1738 32.00661 371.4444       212.2782 496.2503       242.2319 -41.65249      440.6967 114.0697 33.80220 81.80509 38.03249 32.26457       50.88280 
1 1 1 16  24 32 o 96.79213 12.32620 288.4013       68.38612 286.8370       69.09436 363.5338       478.8490 96.45921 12.50797 100.4131 43.64684 -3.953911      45.40370 
1 1 1 16  24 33 o 168.4705 9.654202 853.9800       94.98795 855.3852       97.46468 827.3804       424.0468 168.4966 9.906631 130.8273 45.32801 37.66934       46.39795 
1 1 1 16  24 34 o 55.81741 19.26808 95.34774       76.59393 115.8086       77.86404 -516.5211      425.7986 60.04190 19.40383 64.43306 31.74134 -4.391159      37.20243 
1 1 1 16  24 35 o 105.3574 14.35605 349.1181       86.40028 335.3848       87.74394 787.2516       495.6005 102.9365 14.97305 119.0423 47.36853 -16.10575      49.67867 
1 1 1 16  24 36 o 50.56417 19.47995 64.61193       81.57741 72.54487       83.01278 -158.8518      440.5867 52.09262 19.75282 74.01491 35.46473 -21.92229      40.59460 
1 1 1 16  24 37 o 44.44102 19.30029 5.794640       93.46035 9.673363       96.56901 -51.55763      371.3374 45.50391 19.69074 72.52618 34.10303 -27.02226      39.37946 
1 1 1 16  24 38 o 54.99214 21.60686 77.14101       101.9277 113.9087       108.2281 -211.3562      303.1641 61.07778 22.67996 60.80016 29.20761 0.2776184      36.97925 
1 1 1 16  25 0  o 379.0821 9.019003 4230.592       200.5129 5668.148       572.5937 4029.668       214.0674 433.7632 22.58613 369.6948 9.882033 64.06845       24.65336 
1 1 1 16  25 1  o 284.1671 9.727985 2381.547       161.8849 0.000000       0.000000 2381.547       161.8849 ?        ?        284.1671 9.727985 0.000000       9.727985 
1 1 1 16  25 2  o 327.0022 9.502378 3151.977       182.0424 0.000000       0.000000 3151.977       182.0424 ?        ?        327.0022 9.502378 0.000000       9.502378 
1 1 1 16  25 3  o 340.3319 9.683841 3414.675       193.0897 0.000000       0.000000 3414.675       193.0897 ?        ?        340.3319 9.683841 0.000000       9.683841 
1 1 1 16  25 4  o 256.0235 8.809236 1931.664       132.0751 2189.956       430.6105 1904.842       138.7634 266.9590 27.91578 254.1618 9.325045 12.79723       29.43208 
1 1 1 16  25 5  o 306.2740 8.743688 2763.228       156.8955 2362.163       414.7057 2830.223       169.4939 278.2799 25.70039 309.8694 9.337283 -31.58948      27.34401 
1 1 1 16  25 6  o 128.7780 12.95859 495.1497       96.54082 383.3631       379.9972 502.8628       99.81585 116.9442 42.65484 129.7242 13.30831 -12.78000      44.68273 
1 1 1 16  25 7  o 253.6489 8.443233 1895.446       125.4257 2198.110       368.6816 1855.831       133.3816 269.1120 23.59832 250.8898 9.079860 18.22226       25.28487 
1 1 1 16  25 8  o 158.6324 10.48999 745.2474       97.04489 673.2313       344.2784 751.4634       101.1464 143.4484 39.61666 159.2339 10.89657 -15.78549      41.08790 
1 1 1 16  25 9  f 267.0295 8.245826 2100.365       128.9803 2016.455       353.7391 2113.230       138.5162 257.4776 23.69114 267.7584 8.832866 -10.28079      25.28418 
1 1 1 16  25 10 o 379.9755 9.405200 4254.250       209.5917 4816.988       452.4423 4100.493       236.4981 400.8097 19.30427 372.5992 10.83420 28.21051       22.13672 
1 1 1 16  25 11 o 167.4939 9.869973 829.9924       96.52418 878.7886       343.4400 825.8075       100.5782 164.2061 36.59796 167.0009 10.31956 -2.794830      38.02504 
1 1 1 16  25 12 o 189.8174 34.50441 1157.618       369.9701 1157.618       369.9701 0.000000       0.000000 189.8174 34.50441 ?        ?        0.000000       34.50441 
1 1 1 16  25 13 o 163.1629 9.545117 787.6503       90.93945 778.5099       385.1158 788.1901       93.58604 152.2931 41.83826 163.1761 9.824726 -10.88298      42.97634 
1 1 1 16  25 14 o 389.4622 9.261558 4472.824       211.5436 5251.470       464.0842 4268.603       237.6716 417.8851 18.98564 379.9727 10.67592 37.91238       21.78141 
1 1 1 16  25 15 o 171.8478 13.06310 881.0125       130.6697 1249.247       353.0193 822.5509       140.6604 197.8221 31.48194 165.6514 14.62878 32.17078       34.71475 
1 1 1 16  25 16 o 38.26423 16.51888 -5.880713      67.64569 113.8150       322.6372 -11.38440      69.18341 89.66767 37.25415 37.97155 16.54662 51.69613       40.76349 
1 1 1 16  25 17 o 265.9923 23.33157 2173.748       360.2861 2173.748       360.2861 0.000000       0.000000 265.9923 23.33157 ?        ?        0.000000       23.33157 
1 1 1 16  25 18 o 171.0185 30.50428 941.3585       294.7293 941.3585       294.7293 0.000000       0.000000 171.0185 30.50428 ?        ?        0.000000       30.50428 
1 1 1 16  25 19 o 148.1370 33.79836 726.9041       287.1273 726.9041       287.1273 0.000000       0.000000 148.1370 33.79836 ?        ?        0.000000       33.79836 
1 1 1 16  25 20 o 137.2139 35.53976 635.4526       288.2580 635.4526       288.2580 0.000000       0.000000 137.2139 35.53976 ?        ?        0.000000       35.53976 
1 1 1 16  25 21 o 107.4875 36.91616 372.0568       281.0395 372.0568       281.0395 0.000000       0.000000 107.4875 36.91616 ?        ?        0.000000       36.91616 
1 1 1 16  25 22 o 70.81661 30.57456 18.86553       231.7788 49.52980       272.8446 -60.62820      439.3043 78.02129 33.42140 88.65267 39.97125 -10.63138      52.10269 
1 1 1 16  25 23 f 133.4373 31.18880 602.9007       239.6718 676.9972       277.5999 385.9543       475.0033 139.8995 34.13974 113.4962 45.95217 26.40330       57.24617 
1 1 1 16  25 24 o 126.1158 32.14838 550.8031       238.4584 717.3371       275.7100 56.40429       475.0505 143.5307 33.38540 94.30730 42.11636 49.22344       53.74358 
1 1 1 16  25 25 o 65.32527 29.82635 -89.42676      254.1857 -89.42676      254.1857 0.000000       0.000000 65.32527 29.82635 ?        ?        0.000000       29.82635 
1 1 1 16  25 26 o 60.67111 27.48171 -61.75034      210.5010 -70.48690      237.2424 -29.41812      456.3938 63.82812 29.01566 87.10928 39.84599 -23.28115      49.29109 
1 1 1 16  25 27 o 144.7843 26.95956 707.4484       220.4991 665.5128       250.7953 850.2441       462.7921 136.8407 31.84949 139.8357 47.38652 -2.994919      57.09529 
1 1 1 16  25 28 o 92.39541 32.66929 294.1431       220.9697 336.0880       246.1715 120.1767       501.3381 97.36210 34.47669 94.24297 42.57668 3.119133       54.78518 
1 1 1 16  25 29 o 174.4628 22.59186 995.7191       225.7337 1053.623       255.2995 788.2583       483.2417 177.3336 25.26097 129.9425 47.98400 47.39111       54.22712 
1 1 1 16  25 30 o 153.1887 26.39144 805.7916       228.5481 1044.149       262.2526 53.14546       466.0159 174.6933 26.42174 86.97075 39.96111 87.72260       47.90615 
1 1 1 16  25 31 o 54.50299 25.40922 -112.9152      198.8528 -78.56082      222.2248 -250.9496      445.4460 59.66142 27.47931 74.36199 35.63868 -14.70057      45.00253 
1 1 1 16  25 32 o 56.43646 26.28790 -106.7876      212.1130 46.79256       239.4571 -666.3924      457.0891 69.01786 30.40828 64.30894 31.89770 4.708916       44.06957 
1 1 1 16  25 33 o 120.0539 31.55563 550.9314       225.0566 684.5458       259.8797 150.1713       450.0782 132.3828 33.46161 87.13995 39.74912 45.24284       51.95837 
1 1 1 16  25 34 o 95.10719 32.85979 355.5113       222.7839 371.0821       252.7283 301.2359       471.8446 95.98533 34.81914 93.18606 41.76838 2.799271       54.37803 
1 1 1 16  25 35 o 67.00122 29.44157 58.14999       223.1014 174.8904       261.4716 -254.3660      427.8092 78.29919 33.09761 70.43147 34.04898 7.867722       47.48458 
1 1 1 16  25 36 o 60.92016 19.44564 122.0067       78.37061 121.1038       79.97691 143.8083       393.0054 60.77764 19.66731 81.91850 37.28068 -21.14087      42.15035 
1 1 1 16  25 37 o 182.9268 11.44137 1024.045       122.1310 1056.629       132.1367 833.0112       319.9478 185.2784 12.22879 136.9957 38.32580 48.28275       40.22947 
1 1 1 16  26 0  o 153.2595 13.72638 700.8112       122.0719 1372.768       460.7084 650.0731       126.5967 205.4469 39.67285 147.3406 14.85290 58.10631       42.36205 
1 1 1 16  26 1  o 259.3114 9.636218 1983.888       146.2927 1745.747       435.8283 2014.127       155.3032 235.9184 32.35054 261.1948 10.15767 -25.27643      33.90776 
1 1 1 16  26 2  o 63.34211 21.91965 109.8446       99.14964 -393.7373      401.5325 142.5435       102.3180 74.47326 35.15469 69.46964 22.22358 5.003624       41.59014 
1 1 1 16  26 3  o 81.48105 20.48932 206.5397       97.79910 235.3864       388.2998 204.5859       101.0569 105.7714 41.98005 81.10339 21.06131 24.66806       46.96704 
1 1 1 16  26 4  o 47.98922 20.02277 15.76068       93.77257 -534.2530      368.3930 53.86680       96.96655 65.56924 31.67341 53.95491 21.11152 11.61434       38.06444 
1 1 1 16  26 5  o 77.29339 19.81553 185.5544       90.23864 -559.9284      376.6504 230.9505       92.94557 65.81509 31.84894 86.31603 18.88669 -20.50094      37.02785 
1 1 1 16  26 6  o 156.0227 11.00689 722.0089       100.0706 821.3226       377.3921 714.4979       103.7858 157.5645 40.59064 155.1263 11.48936 2.438141       42.18537 
1 1 1 16  26 7  o 393.7300 8.595751 4564.560       198.4874 5176.062       460.3447 4424.915       219.9866 415.6055 18.93624 387.4476 9.681278 28.15790       21.26755 
1 1 1 16  26 8  o 175.9465 10.48293 916.6288       107.6814 630.9368       349.8140 946.5336       113.1769 138.4593 40.51297 178.7432 10.84744 -40.28397      41.94005 
1 1 1 16  26 9  o 170.0267 10.30494 856.0464       102.2750 1157.973       358.4967 829.2955       106.7097 190.3764 33.32187 167.2352 10.93999 23.14120       35.07179 
1 1 1 16  26 10 o 156.4117 11.18862 726.4127       101.9573 787.1694       358.7051 721.0728       106.3435 153.9045 39.53418 155.7373 11.72928 -1.832748      41.23745 
1 1 1 16  26 11 o 89.82677 17.74198 249.3163       90.14983 -523.6839      367.3247 298.8600       92.99394 65.37242 31.59036 98.81609 16.63674 -33.44366      35.70338 
1 1 1 16  26 12 o 222.3006 9.303509 1459.976       121.0255 1403.880       398.9247 1465.663       127.0115 208.9943 33.69200 222.6526 9.750330 -13.65828      35.07449 
1 1 1 16  26 13 o 232.3364 8.854648 1593.813       120.4325 1787.981       367.1648 1570.404       127.4855 239.8772 26.54237 230.5117 9.450161 9.365433       28.17451 
1 1 1 16  26 14 o 384.0466 19.81695 4458.424       444.8360 4458.424       444.8360 0.000000       0.000000 384.0466 19.81695 ?        ?        0.000000       19.81695 
1 1 1 16  26 15 o 323.6836 9.364022 3095.046       177.5730 3557.562       399.5523 2981.205       198.2254 342.6894 19.96676 317.3222 10.66660 25.36719       22.63732 
1 1 1 16  26 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  26 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  26 18 o 346.2004 18.00242 3621.174       364.2625 3621.174       364.2625 0.000000       0.000000 346.2004 18.00242 ?        ?        0.000000       18.00242 
1 1 1 16  26 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  26 20 o 69.63587 31.42227 -85.10057      272.1145 -85.10057      272.1145 0.000000       0.000000 69.63587 31.42227 ?        ?        0.000000       31.42227 
1 1 1 16  26 21 o 251.9964 20.29481 1959.005       297.4021 1959.005       297.4021 0.000000       0.000000 251.9964 20.29481 ?        ?        0.000000       20.29481 
1 1 1 16  26 22 o 182.1433 26.79559 1077.439       277.6911 1077.439       277.6911 0.000000       0.000000 182.1433 26.79559 ?        ?        0.000000       26.79559 
1 1 1 16  26 23 o 163.0896 25.19343 864.2862       233.2143 976.3646       274.6848 574.8752       441.3990 171.4478 28.30509 123.2711 45.79702 48.17661       53.83813 
1 1 1 16  26 24 o 128.2665 30.93233 572.0742       229.9686 662.8971       270.7531 336.8721       435.7087 136.2211 33.99983 105.2711 43.47385 30.94999       55.19025 
1 1 1 16  26 25 o 86.88797 34.11407 217.4050       253.9238 217.4050       253.9238 0.000000       0.000000 86.88797 34.11407 ?        ?        0.000000       34.11407 
1 1 1 16  26 26 o 127.4583 31.09193 575.8842       230.3135 663.6528       260.2475 258.8400       494.6259 135.6212 33.03087 101.0651 44.13817 34.55613       55.12909 
1 1 1 16  26 27 o 94.57849 33.65879 312.7709       234.8906 416.9551       268.1760 -30.51237      486.7942 105.8234 36.06913 87.26172 40.36189 18.56165       54.13007 
1 1 1 16  26 28 o 79.82088 31.04673 189.5797       208.7022 367.1100       233.4488 -517.1306      465.7749 99.87417 33.65618 69.98500 34.21275 29.88917       47.99220 
1 1 1 16  26 29 f 52.46647 24.89758 -177.5590      206.5066 -170.9533      235.7804 -199.3159      427.9075 56.92367 26.89110 75.18638 35.72544 -18.26271      44.71508 
1 1 1 16  26 30 o 71.40105 30.30831 97.13283       220.7977 56.67435       254.2264 221.3446       445.4483 71.54108 31.43263 92.42545 41.05977 -20.88436      51.70992 
1 1 1 16  26 31 o 96.49953 31.97113 351.4633       210.7923 300.1868       238.2527 536.2335       452.2661 90.43073 33.63694 108.4804 44.49212 -18.04967      55.77627 
1 1 1 16  26 32 o 69.91413 29.83230 96.23837       215.8661 -34.57399      244.9089 551.7402       457.0096 64.03197 29.25154 107.5905 44.48661 -43.55856      53.24200 
1 1 1 16  26 33 o 52.94346 25.22678 -176.4905      216.3892 -41.15748      252.1656 -554.5131      421.4469 64.01307 29.40628 62.70971 31.01956 1.303364       42.74275 
1 1 1 16  26 34 o 47.78564 23.45448 -337.7263      225.6952 -206.1035      264.9566 -685.7722      430.8513 57.55410 27.55733 60.47667 30.15588 -2.922573      40.85075 
1 1 1 16  26 35 o 58.59037 27.31271 -85.20195      229.6936 -24.45757      282.1515 -204.5608      395.5092 66.98421 30.89218 68.97088 33.19124 -1.986664      45.34297 
1 1 1 16  26 36 o 57.80945 26.79641 -67.03943      216.2824 289.3203       285.3976 -547.8019      331.4906 86.74807 35.43387 53.91880 26.81492 32.82927       44.43646 
1 1 1 16  26 37 o 90.68417 32.15081 332.3105       214.1324 249.6658       271.9999 467.0174       347.2613 82.78167 34.28296 99.07182 39.57494 -16.29015      52.35931 
1 1 1 16  27 0  o 235.6376 10.20024 1640.878       140.6292 1366.373       465.6930 1668.422       147.5160 203.7886 40.39245 237.5349 10.61598 -33.74631      41.76421 
1 1 1 16  27 1  o 49.67445 21.60910 -15.86253      117.5652 0.000000       0.000000 -15.86253      117.5652 ?        ?        49.67445 21.60910 0.000000       21.60910 
1 1 1 16  27 2  o 329.8496 8.781748 3206.794       169.7309 4358.366       460.8480 3026.074       182.5640 380.3409 20.73865 320.2263 9.732219 60.11462       22.90868 
1 1 1 16  27 3  o 200.9844 10.61455 1195.488       124.6729 1317.646       375.5926 1180.361       132.1665 203.7838 32.51886 199.5763 11.33841 4.207504       34.43887 
1 1 1 16  27 4  o 160.7423 12.13489 768.4133       113.5526 285.8449       350.5495 824.9847       120.0241 106.1765 40.51268 166.5403 12.37697 -60.36385      42.36114 
1 1 1 16  27 5  o 46.40806 19.56198 9.129735       90.92352 32.07164       376.3276 7.707500       93.69944 90.76950 39.07205 46.88136 19.81490 43.88814       43.80931 
1 1 1 16  27 6  o 324.5845 8.474275 3104.858       161.1793 3452.091       410.7636 3041.665       175.2331 338.1356 20.81424 321.0956 9.315169 17.04001       22.80361 
1 1 1 16  27 7  f 219.0204 9.465693 1417.049       121.3001 1718.715       383.5403 1383.522       127.8631 234.8589 28.42298 216.2975 10.10755 18.56137       30.16668 
1 1 1 16  27 8  o 310.2828 8.942666 2839.929       162.5631 2552.593       411.9537 2892.927       176.9208 288.5939 24.57294 313.0158 9.648973 -24.42191      26.39947 
1 1 1 16  27 9  o 182.0231 10.93105 982.7535       116.1538 0.000000       0.000000 982.7535       116.1538 ?        ?        182.0231 10.93105 0.000000       10.93105 
1 1 1 16  27 10 o 168.7047 11.36383 845.7635       111.7793 1167.434       384.7007 816.1018       116.8194 188.7614 36.06488 165.5564 12.11535 23.20506       38.04546 
1 1 1 16  27 11 o 51.24409 20.12910 48.21702       88.44282 -6.662708      383.3833 51.30178       90.89449 88.46643 38.74221 52.19503 20.43486 36.27140       43.80117 
1 1 1 16  27 12 o 56.04753 20.37437 79.47176       86.59556 -453.7460      367.4260 110.8317       89.10564 67.23670 32.26170 62.09340 20.79207 5.143299       38.38134 
1 1 1 16  27 13 o 153.3506 11.19006 699.7441       99.94682 374.0767       355.7083 727.6592       104.1423 112.2897 41.21910 156.3452 11.43687 -44.05552      42.77636 
1 1 1 16  27 14 o 217.5108 11.89538 1406.755       151.1657 0.000000       0.000000 1406.755       151.1657 ?        ?        217.5108 11.89538 0.000000       11.89538 
1 1 1 16  27 15 o 246.3111 25.42780 1888.560       362.0450 1888.560       362.0450 0.000000       0.000000 246.3111 25.42780 ?        ?        0.000000       25.42780 
1 1 1 16  27 16 o 106.1044 38.85538 334.9694       315.7852 334.9694       315.7852 0.000000       0.000000 106.1044 38.85538 ?        ?        0.000000       38.85538 
1 1 1 16  27 17 o 283.2665 21.35893 2462.666       352.2199 2462.666       352.2199 0.000000       0.000000 283.2665 21.35893 ?        ?        0.000000       21.35893 
1 1 1 16  27 18 o 212.8895 26.12840 1434.238       319.3924 1434.238       319.3924 0.000000       0.000000 212.8895 26.12840 ?        ?        0.000000       26.12840 
1 1 1 16  27 19 o 86.83673 35.31638 154.7075       282.0293 154.7075       282.0293 0.000000       0.000000 86.83673 35.31638 ?        ?        0.000000       35.31638 
1 1 1 16  27 20 o 201.9938 23.93045 1292.335       277.9905 1292.335       277.9905 0.000000       0.000000 201.9938 23.93045 ?        ?        0.000000       23.93045 
1 1 1 16  27 21 o 101.7168 36.15734 343.0323       270.9850 343.0323       270.9850 0.000000       0.000000 101.7168 36.15734 ?        ?        0.000000       36.15734 
1 1 1 16  27 22 o 58.44883 27.84000 -259.5076      263.0574 -259.5076      263.0574 0.000000       0.000000 58.44883 27.84000 ?        ?        0.000000       27.84000 
1 1 1 16  27 23 o 138.1437 29.98795 657.3761       235.9723 721.4315       280.5031 502.2917       436.4593 141.8798 34.12878 115.7965 44.93727 26.08324       56.42812 
1 1 1 16  27 24 o 221.3807 19.18400 1536.703       246.6185 1673.716       298.7923 1243.857       436.8246 228.3029 22.61229 177.8812 42.46238 50.42168       48.10789 
1 1 1 16  27 25 o 75.37843 31.34077 114.6585       228.5840 312.4501       266.3559 -438.1535      445.2944 95.66531 35.56904 71.41304 34.57512 24.25227       49.60439 
1 1 1 16  27 26 f 108.4995 33.59334 434.4467       235.6294 434.4467       235.6294 0.000000       0.000000 108.4995 33.59334 ?        ?        0.000000       33.59334 
1 1 1 16  27 27 o 49.73917 23.94926 -242.5155      206.5742 -447.6598      236.1156 426.8770       426.5160 46.89183 23.19934 105.4463 43.22277 -58.55445      49.05524 
1 1 1 16  27 28 o 55.73845 26.23917 -152.5017      220.9438 -123.3496      258.2473 -232.1132      426.7650 61.98597 28.91722 73.91856 35.27834 -11.93258      45.61542 
1 1 1 16  27 29 o 60.67855 27.37402 -27.14536      206.3768 -49.89785      234.3892 51.34035       435.3300 62.74399 28.64532 84.23248 38.67351 -21.48848      48.12687 
1 1 1 16  27 30 o 162.2102 24.65399 897.8771       227.1662 1143.022       259.0870 82.84573       472.4124 183.1581 24.75252 86.47083 39.91272 96.68724       46.96501 
1 1 1 16  27 31 o 54.74117 25.61413 -113.8275      205.1245 -41.73829      227.9255 -421.0228      470.5058 61.68792 28.19528 70.04650 34.27321 -8.358585      44.38048 
1 1 1 16  27 32 o 41.82244 20.94906 -512.6201      218.7696 -556.6655      252.4720 -379.8897      438.2760 45.28001 22.65508 68.12672 33.27918 -22.84671      40.25862 
1 1 1 16  27 33 o 67.42229 29.56455 63.50908       223.9034 60.99917       260.3107 70.64667       438.9748 70.39424 31.32339 81.82494 38.01322 -11.43069      49.25606 
1 1 1 16  27 34 o 62.56982 28.54938 -18.30225      232.3899 103.3973       287.6919 -246.8156      394.2202 74.40030 33.02791 67.58794 32.67693 6.812355       46.46100 
1 1 1 16  27 35 f 56.73450 26.29013 -67.65408      207.9489 -132.7881      288.4128 2.867485       300.1037 62.35161 29.54023 69.48457 31.97822 -7.132965      43.53426 
1 1 1 16  27 36 o 47.75294 23.37303 -299.2334      219.3721 -169.6520      302.1038 -443.7771      319.0688 61.90271 29.58154 54.98410 27.15986 6.918613       40.15876 
1 1 1 16  28 0  o 190.9543 11.91002 1082.982       132.7165 1603.031       471.0883 1038.148       138.3190 221.7852 37.55653 186.7805 12.70257 35.00464       39.64654 
1 1 1 16  28 1  f 169.0936 12.60875 851.5035       124.1401 1680.552       401.9409 764.0820       130.5213 231.0551 30.39837 159.8194 14.06865 71.23563       33.49608 
1 1 1 16  28 2  o 217.7800 10.22562 1403.150       130.2398 1098.099       365.5275 1447.509       139.3880 183.8668 35.17863 221.0950 10.78220 -37.22826      36.79391 
1 1 1 16  28 3  o 200.1915 10.89928 1187.734       127.4831 2293.901       404.9142 1066.021       134.3137 272.8690 25.60121 189.3754 12.15756 83.49367       28.34128 
1 1 1 16  28 4  o 214.7393 10.19496 1364.565       128.0282 1149.254       377.9621 1392.472       136.0725 187.7519 35.62818 216.8230 10.73413 -29.07104      37.21006 
1 1 1 16  28 5  o 258.1987 9.117141 1968.379       137.8418 2974.326       442.0435 1860.028       145.0756 311.3986 24.39931 250.8318 9.881248 60.56679       26.32423 
1 1 1 16  28 6  o 201.6552 10.48245 1204.724       123.5462 1009.457       423.8046 1222.859       129.1560 172.0706 42.29929 203.0912 10.88333 -31.02061      43.67696 
1 1 1 16  28 7  o 168.3359 11.43806 842.4189       112.2516 1203.146       388.5225 809.5651       117.2520 191.6003 35.89425 164.8469 12.21478 26.75334       37.91566 
1 1 1 16  28 8  o 185.0864 10.41762 1015.566       112.6256 1336.827       381.9283 984.9691       117.8669 203.5744 33.12755 182.1366 11.08679 21.43784       34.93353 
1 1 1 16  28 9  o 89.94046 19.91293 253.2101       102.2609 142.4364       353.3636 263.3351       106.8322 94.42538 39.08758 91.65431 20.39978 2.771072       44.09070 
1 1 1 16  28 10 o 132.5500 14.29583 528.9662       109.3765 38.89470       355.8960 580.0812       114.9391 87.90748 37.91960 138.8681 14.31786 -50.96061      40.53267 
1 1 1 16  28 11 o 242.6531 9.787984 1742.272       139.0073 1710.458       373.8694 1747.376       149.7423 233.1954 27.88928 242.8352 10.53944 -9.639847      29.81429 
1 1 1 16  28 12 o 165.4854 11.35221 815.0013       109.5095 745.7602       368.6595 821.7022       114.6861 147.1944 41.12581 166.0582 11.85402 -18.86375      42.80012 
1 1 1 16  28 13 o 90.55131 38.62493 79.75079       361.6448 79.75079       361.6448 0.000000       0.000000 90.55131 38.62493 ?        ?        0.000000       38.62493 
1 1 1 16  28 14 o 138.8957 39.35870 662.5486       335.1859 662.5486       335.1859 0.000000       0.000000 138.8957 39.35870 ?        ?        0.000000       39.35870 
1 1 1 16  28 15 o 146.2474 38.11266 735.4733       330.1514 735.4733       330.1514 0.000000       0.000000 146.2474 38.11266 ?        ?        0.000000       38.11266 
1 1 1 16  28 16 o 325.9252 20.31933 3251.358       386.4668 3251.358       386.4668 0.000000       0.000000 325.9252 20.31933 ?        ?        0.000000       20.31933 
1 1 1 16  28 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  28 18 o 264.9387 21.13021 2176.590       325.6031 2176.590       325.6031 0.000000       0.000000 264.9387 21.13021 ?        ?        0.000000       21.13021 
1 1 1 16  28 19 o 152.4660 31.83490 791.0052       275.4567 791.0052       275.4567 0.000000       0.000000 152.4660 31.83490 ?        ?        0.000000       31.83490 
1 1 1 16  28 20 o 102.4641 36.01249 356.3944       268.2055 356.3944       268.2055 0.000000       0.000000 102.4641 36.01249 ?        ?        0.000000       36.01249 
1 1 1 16  28 21 o 138.0054 33.72464 677.6364       270.6035 677.6364       270.6035 0.000000       0.000000 138.0054 33.72464 ?        ?        0.000000       33.72464 
1 1 1 16  28 22 o 224.1592 22.21144 1605.047       288.1649 1605.047       288.1649 0.000000       0.000000 224.1592 22.21144 ?        ?        0.000000       22.21144 
1 1 1 16  28 23 o 92.33673 33.74675 284.9877       238.0275 162.9797       285.7566 561.4950       430.1852 84.09769 35.01005 118.2185 44.93357 -34.12086      56.96253 
1 1 1 16  28 24 o 47.76543 23.23700 -303.7994      207.5734 -178.9071      233.4200 -775.9103      453.8288 57.04063 26.88839 63.98977 31.74707 -6.949142      41.60363 
1 1 1 16  28 25 o 48.11746 23.38888 -296.1221      209.1189 -178.8086      235.1355 -739.9877      457.3726 56.99350 26.90298 64.56659 32.00489 -7.573086      41.81009 
1 1 1 16  28 26 o 63.45145 29.63828 -134.1813      272.6801 -134.1813      272.6801 0.000000       0.000000 63.45145 29.63828 ?        ?        0.000000       29.63828 
1 1 1 16  28 27 o 72.33425 30.76874 97.75412       228.3761 -70.62924      261.0941 646.1398       471.1841 64.90643 29.85533 117.3774 46.35217 -52.47101      55.13496 
1 1 1 16  28 28 o 82.69270 31.59998 227.3575       213.4845 331.1834       242.8095 -126.2772      448.1158 94.09833 34.12983 78.20416 36.98257 15.89417       50.32450 
1 1 1 16  28 29 o 66.09340 28.75613 52.21363       208.2622 177.4657       240.6035 -322.0109      415.8872 78.81920 32.40282 69.10411 33.44685 9.715088       46.56860 
1 1 1 16  28 30 o 64.06676 28.37976 25.73546       211.2899 123.0297       241.1788 -295.4422      438.1958 73.91203 31.53540 70.88329 34.31379 3.028740       46.60384 
1 1 1 16  28 31 o 46.63361 22.89557 -332.1433      215.5513 -334.0541      244.9443 -325.5841      453.8202 50.56860 24.73989 70.54235 34.32685 -19.97375      42.31306 
1 1 1 16  28 32 o 51.14136 24.63944 -223.1892      219.4422 -360.0951      248.4651 262.2794       467.8805 50.03405 24.56840 90.50626 40.98623 -40.47221      47.78574 
1 1 1 16  28 33 o 81.04949 31.42425 236.3116       213.2839 342.1348       255.0566 -9.749056      388.9261 91.68602 34.65612 75.24139 35.22699 16.44463       49.41647 
1 1 1 16  28 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  28 35 o 66.15397 29.07795 67.02109       217.7732 -155.5554      302.2108 307.4362       314.0880 62.45173 29.77275 87.81843 36.64313 -25.36670      47.21372 
1 1 1 16  29 0  o 174.8850 13.45059 913.8944       136.8981 0.000000       0.000000 913.8944       136.8981 ?        ?        174.8850 13.45059 0.000000       13.45059 
1 1 1 16  29 1  o 228.2613 10.51859 1543.461       140.4337 2270.145       410.1321 1446.945       149.4690 270.4404 26.18565 220.7539 11.58551 49.68646       28.63411 
1 1 1 16  29 2  o 127.1226 16.95858 491.8381       123.2825 392.3154       371.9688 504.1195       130.6680 114.8310 42.15091 128.4892 17.81911 -13.65816      45.76265 
1 1 1 16  29 3  o 66.66527 23.87745 118.5269       118.3970 0.000000       0.000000 118.5269       118.3970 ?        ?        66.66527 23.87745 0.000000       23.87745 
1 1 1 16  29 4  o 460.3118 9.632035 6256.543       260.0284 5866.279       534.0159 6377.833       297.7057 439.7797 20.76331 464.2901 10.93320 -24.51044      23.46593 
1 1 1 16  29 5  o 58.22849 22.28653 73.79790       106.2991 427.5723       405.3438 47.67133       110.1543 118.9573 43.94325 55.26363 22.21595 63.69366       49.23980 
1 1 1 16  29 6  o 156.9460 12.37135 735.1681       112.9521 515.7136       405.2238 753.6552       117.6135 126.0622 44.26887 158.8376 12.73219 -32.77535      46.06345 
1 1 1 16  29 7  o 172.6794 11.98740 888.3026       120.6456 1344.840       424.6755 848.2224       125.8301 201.1312 37.37757 168.5273 12.82740 32.60394       39.51740 
1 1 1 16  29 8  o 74.51228 22.49203 171.4403       106.4981 -295.4832      384.9881 210.1312       110.8227 74.79185 35.02674 81.70562 22.44251 -6.913765      41.59975 
1 1 1 16  29 9  o 97.39724 19.28810 295.7909       106.2771 497.4218       356.7631 276.1557       111.3317 122.9181 41.60595 93.69135 20.80342 29.22676       46.51707 
1 1 1 16  29 10 o 102.0528 18.80843 323.4301       108.4249 -212.9814      351.4614 379.8503       113.9845 74.05425 34.26789 110.9961 18.13574 -36.94188      38.77103 
1 1 1 16  29 11 o 49.79951 21.12382 9.267081       107.1248 -294.3921      344.9531 41.67791       112.6969 69.73792 32.81601 54.83452 22.31591 14.90339       39.68488 
1 1 1 16  29 12 o 113.7041 15.77105 394.3456       102.3411 203.1554       331.8733 414.4373       107.5842 95.87662 38.55461 116.4997 16.18242 -20.62307      41.81302 
1 1 1 16  29 13 f 306.7421 12.47428 2803.828       223.9404 0.000000       0.000000 2803.828       223.9404 ?        ?        306.7421 12.47428 0.000000       12.47428 
1 1 1 16  29 14 o 120.5918 40.59526 494.6344       339.6377 494.6344       339.6377 0.000000       0.000000 120.5918 40.59526 ?        ?        0.000000       40.59526 
1 1 1 16  29 15 o 161.3612 36.56102 897.1384       337.9554 897.1384       337.9554 0.000000       0.000000 161.3612 36.56102 ?        ?        0.000000       36.56102 
1 1 1 16  29 16 o 213.7229 27.54771 1474.369       337.2704 1474.369       337.2704 0.000000       0.000000 213.7229 27.54771 ?        ?        0.000000       27.54771 
1 1 1 16  29 17 o 138.8765 36.95893 687.7977       306.2954 687.7977       306.2954 0.000000       0.000000 138.8765 36.95893 ?        ?        0.000000       36.95893 
1 1 1 16  29 18 o 87.06820 35.18472 183.7128       277.8799 183.7128       277.8799 0.000000       0.000000 87.06820 35.18472 ?        ?        0.000000       35.18472 
1 1 1 16  29 19 o 133.7472 36.23006 651.7009       291.1641 651.7009       291.1641 0.000000       0.000000 133.7472 36.23006 ?        ?        0.000000       36.23006 
1 1 1 16  29 20 o 159.8322 32.55735 896.7645       294.8091 896.7645       294.8091 0.000000       0.000000 159.8322 32.55735 ?        ?        0.000000       32.55735 
1 1 1 16  29 21 o 273.1828 19.84334 2346.330       315.7532 2346.330       315.7532 0.000000       0.000000 273.1828 19.84334 ?        ?        0.000000       19.84334 
1 1 1 16  29 22 o 52.12852 25.78939 -543.7048      291.7022 -543.7048      291.7022 0.000000       0.000000 52.12852 25.78939 ?        ?        0.000000       25.78939 
1 1 1 16  29 23 o 81.28308 33.25400 167.1305       251.8530 167.1305       251.8530 0.000000       0.000000 81.28308 33.25400 ?        ?        0.000000       33.25400 
1 1 1 16  29 24 o 65.59847 28.45304 37.33350       202.5992 45.27877       231.3650 11.20864       419.5368 69.45624 30.26296 83.56105 38.21549 -14.10481      48.74700 
1 1 1 16  29 25 o 74.78311 30.75585 136.3144       216.8788 236.2598       250.9904 -158.2439      430.8848 85.85082 33.85250 76.87151 36.32602 8.979317       49.65452 
1 1 1 16  29 26 o 141.3085 29.24549 714.9567       234.3761 737.2974       273.1562 652.6044       456.3398 139.2097 33.80027 117.7954 45.88289 21.41430       56.98857 
1 1 1 16  29 27 o 84.99493 34.21396 233.3688       261.6413 233.3688       261.6413 0.000000       0.000000 84.99493 34.21396 ?        ?        0.000000       34.21396 
1 1 1 16  29 28 o 57.05330 26.45856 -89.75843      211.2444 4.826137       243.7072 -375.5439      423.6218 66.43237 29.87769 68.03985 33.12173 -1.607483      44.60633 
1 1 1 16  29 29 f 68.03193 29.87492 57.23347       229.3749 98.03004       271.2075 -45.26693      429.8853 74.26098 32.55140 78.09770 36.71356 -3.836723      49.06607 
1 1 1 16  29 30 o 52.07203 24.97324 -203.6850      219.5675 -162.4905      245.9901 -365.1308      486.9803 57.23658 27.16483 71.60452 34.99985 -14.36795      44.30482 
1 1 1 16  29 31 o 77.75752 31.82757 189.7468       230.8539 276.5712       259.8751 -135.1608      502.7173 86.25736 34.30816 78.02366 37.51506 8.233704       50.83729 
1 1 1 16  29 32 o 80.68752 31.96497 230.6254       224.7350 327.8564       273.5301 28.64508       394.2369 90.11333 35.39874 76.94076 35.83868 13.17258       50.37342 
1 1 1 16  29 33 o 67.72591 29.28358 90.79919       213.2433 248.7239       282.7950 -117.3515      324.6651 83.36382 34.77601 66.09518 31.32205 17.26865       46.80216 
1 1 1 16  29 34 o 63.44810 28.56280 19.78717       223.3301 -158.8641      302.4771 233.8987       331.1383 62.31413 29.72901 83.28619 36.24800 -20.97206      46.87997 
1 1 1 16  30 0  o 155.2613 14.79387 725.5224       133.0824 376.6413       388.9577 771.7803       141.6305 113.6381 42.83161 160.0433 15.27434 -46.40515      45.47364 
1 1 1 16  30 1  o 78.00434 25.70399 182.6077       136.3093 0.000000       0.000000 182.6077       136.3093 ?        ?        78.00434 25.70399 0.000000       25.70399 
1 1 1 16  30 2  o 318.1229 9.473273 2991.831       176.5475 3552.973       438.5153 2883.281       192.8690 340.7929 22.05886 311.9879 10.55602 28.80493       24.45451 
1 1 1 16  30 3  o 254.7038 10.19136 1921.439       151.9288 2498.158       416.3283 1832.838       163.1824 283.6281 25.29369 248.4881 11.22640 35.14003       27.67315 
1 1 1 16  30 4  o 179.2140 13.08265 959.8732       136.5577 1603.219       410.2582 879.7128       144.8156 222.7561 32.34843 171.1362 14.56687 51.61998       35.47696 
1 1 1 16  30 5  o 259.9980 9.601075 2000.052       146.1483 1918.887       399.7291 2012.576       157.0196 246.5690 28.14601 260.6394 10.29243 -14.07042      29.96885 
1 1 1 16  30 6  o 161.3586 12.26185 777.3865       115.1688 1121.045       395.7476 745.5892       120.3790 182.0859 38.27598 157.7985 13.12636 24.28737       40.46421 
1 1 1 16  30 7  o 44.43542 20.21469 -63.95643      115.4119 -167.7721      397.5898 -54.40382      120.6049 81.17908 37.15490 46.43166 20.93837 34.74742       42.64858 
1 1 1 16  30 8  o 93.93015 21.74066 279.4574       117.3936 217.6642       396.3775 285.3987       122.9077 101.9160 41.70933 94.78600 22.45660 7.130035       47.37053 
1 1 1 16  30 9  o 149.5268 14.04839 672.8749       121.7527 827.4600       363.3267 653.3196       129.2244 154.4003 39.85357 146.9967 15.20890 7.403671       42.65698 
1 1 1 16  30 10 o 184.0101 12.81576 1012.900       137.4402 865.3934       382.7033 1034.742       147.2646 156.8377 41.11327 185.7601 13.61197 -28.92245      43.30804 
1 1 1 16  30 11 o 111.4015 18.79236 385.7236       118.4147 544.3745       359.6778 366.4372       125.4059 125.5518 41.76790 107.9617 20.55663 17.59013       46.55247 
1 1 1 16  30 12 f 65.14097 31.38798 -442.9530      356.3566 -442.9530      356.3566 0.000000       0.000000 65.14097 31.38798 ?        ?        0.000000       31.38798 
1 1 1 16  30 13 o 94.83649 38.28123 212.1075       328.5359 212.1075       328.5359 0.000000       0.000000 94.83649 38.28123 ?        ?        0.000000       38.28123 
1 1 1 16  30 14 o 183.2530 32.60906 1130.698       337.6145 1130.698       337.6145 0.000000       0.000000 183.2530 32.60906 ?        ?        0.000000       32.60906 
1 1 1 16  30 15 o 76.07494 34.09386 -38.85176      314.2585 -38.85176      314.2585 0.000000       0.000000 76.07494 34.09386 ?        ?        0.000000       34.09386 
1 1 1 16  30 16 o 154.2562 36.12411 849.2955       321.0244 849.2955       321.0244 0.000000       0.000000 154.2562 36.12411 ?        ?        0.000000       36.12411 
1 1 1 16  30 17 o 93.06993 36.85896 248.9478       298.7328 248.9478       298.7328 0.000000       0.000000 93.06993 36.85896 ?        ?        0.000000       36.85896 
1 1 1 16  30 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  30 19 o 166.3268 31.33195 964.0672       294.4236 964.0672       294.4236 0.000000       0.000000 166.3268 31.33195 ?        ?        0.000000       31.33195 
1 1 1 16  30 20 o 104.4497 37.89980 398.1401       299.4543 398.1401       299.4543 0.000000       0.000000 104.4497 37.89980 ?        ?        0.000000       37.89980 
1 1 1 16  30 21 o 61.98586 29.20782 -189.3916      274.9299 -189.3916      274.9299 0.000000       0.000000 61.98586 29.20782 ?        ?        0.000000       29.20782 
1 1 1 16  30 22 o 170.5768 31.47819 1036.129       303.3070 1036.129       303.3070 0.000000       0.000000 170.5768 31.47819 ?        ?        0.000000       31.47819 
1 1 1 16  30 23 o 90.98580 34.95913 283.2107       262.2430 283.2107       262.2430 0.000000       0.000000 90.98580 34.95913 ?        ?        0.000000       34.95913 
1 1 1 16  30 24 o 61.36655 27.61279 -23.57142      208.4444 271.9281       236.1781 -1064.777      443.3325 88.45404 33.36789 56.61914 28.55304 31.83490       43.91688 
1 1 1 16  30 25 f 114.5492 30.99699 488.2715       213.2609 729.6716       241.1738 -377.2586      456.6700 141.9825 29.90897 71.47491 34.70104 70.50759       45.81166 
1 1 1 16  30 26 o 74.87595 30.71259 149.0505       215.5333 168.5291       237.4678 57.98360       513.4584 78.03129 32.14660 87.47063 40.79571 -9.439339      51.93932 
1 1 1 16  30 27 o 84.94496 32.60140 254.5769       227.8871 254.5769       227.8871 0.000000       0.000000 84.94496 32.60140 ?        ?        0.000000       32.60140 
1 1 1 16  30 28 o 169.8952 24.95566 999.3942       241.2511 1170.723       284.8991 565.1876       453.5484 180.9725 27.72465 107.4075 44.35541 73.56505       52.30735 
1 1 1 16  30 29 o 56.87343 26.70942 -118.0636      226.5378 61.10661       264.8347 -606.6857      437.3493 70.78299 31.53925 62.56417 31.06133 8.218822       44.26658 
1 1 1 16  30 30 o 61.50064 28.13750 -31.58731      227.7322 167.5725       262.3789 -639.8543      458.5378 77.47488 32.96850 63.26846 31.47675 14.20642       45.58188 
1 1 1 16  30 31 o 57.04320 26.65550 -92.18038      220.9144 -174.1320      262.7923 105.2610       407.8994 58.08730 27.71185 80.55220 37.14741 -22.46490      46.34519 
1 1 1 16  30 32 o 51.78895 24.92252 -207.7075      222.9857 -431.1847      285.7028 140.5897       356.6751 51.89655 25.64687 79.44781 35.90056 -27.55127      44.12043 
1 1 1 16  30 33 o 85.88822 31.79989 290.2623       212.4848 220.7335       296.0435 364.1400       305.1616 81.24625 34.80827 91.82819 36.95516 -10.58195      50.76711 
1 1 1 16  31 0  o 57.26320 24.22664 18.82406       140.2947 0.000000       0.000000 18.82406       140.2947 ?        ?        57.26320 24.22664 0.000000       24.22664 
1 1 1 16  31 1  o 252.2753 10.67827 1888.484       157.6314 2609.658       429.5650 1776.262       169.4527 289.0584 25.60372 244.3131 11.86181 44.74538       28.21796 
1 1 1 16  31 2  o 147.7237 15.85540 661.2701       135.2184 1173.338       393.8894 592.8622       143.9673 186.3343 37.34573 139.1082 18.07346 47.22610       41.48919 
1 1 1 16  31 3  o 172.4320 13.79886 892.2610       138.3804 1983.337       386.9486 732.2582       148.1800 250.9517 26.70080 155.3055 16.52197 95.64615       31.39917 
1 1 1 16  31 4  o 301.7856 9.929870 2697.705       175.5096 3338.638       455.6962 2586.071       190.1809 328.2249 23.83542 295.1297 11.00690 33.09521       26.25413 
1 1 1 16  31 5  o 236.1173 11.36634 1658.342       156.9356 0.000000       0.000000 1658.342       156.9356 ?        ?        236.1173 11.36634 0.000000       11.36634 
1 1 1 16  31 6  o 227.2596 10.70783 1534.422       142.3151 2306.471       445.4668 1446.667       150.1856 268.8753 28.69257 220.3832 11.66132 48.49210       30.97176 
1 1 1 16  31 7  o 215.2708 11.49015 1380.354       144.5390 1491.709       414.6506 1364.952       154.2113 211.5881 34.61042 213.8057 12.35090 -2.217636      36.74815 
1 1 1 16  31 8  o 238.7499 10.75621 1694.500       150.2230 1983.456       445.6917 1657.465       159.5597 246.4976 31.55238 235.8701 11.56983 10.62744       33.60675 
1 1 1 16  31 9  o 38.36474 18.37331 -155.6401      117.9206 -145.9616      396.4889 -156.5792      123.5095 80.82012 37.03286 39.60369 18.92245 41.21643       41.58716 
1 1 1 16  31 10 o 31.09634 15.47009 -269.2513      110.7107 -550.0704      363.2721 -240.4987      116.2403 62.48451 30.47385 33.58638 16.55297 28.89813       34.67933 
1 1 1 16  31 11 o 207.0475 11.81940 1281.790       142.9249 1179.759       365.0348 1300.264       155.3258 185.7904 34.77915 208.2010 12.78230 -22.41061      37.05370 
1 1 1 16  31 12 o 59.38277 28.99189 -506.4760      331.3026 -506.4760      331.3026 0.000000       0.000000 59.38277 28.99189 ?        ?        0.000000       28.99189 
1 1 1 16  31 13 o 206.6478 29.55839 1417.673       348.0383 1417.673       348.0383 0.000000       0.000000 206.6478 29.55839 ?        ?        0.000000       29.55839 
1 1 1 16  31 14 f 126.8498 40.36124 602.7770       337.8444 602.7770       337.8444 0.000000       0.000000 126.8498 40.36124 ?        ?        0.000000       40.36124 
1 1 1 16  31 15 o 95.08263 38.36874 255.6128       329.9269 255.6128       329.9269 0.000000       0.000000 95.08263 38.36874 ?        ?        0.000000       38.36874 
1 1 1 16  31 16 o 94.89936 37.89663 268.4815       318.3341 268.4815       318.3341 0.000000       0.000000 94.89936 37.89663 ?        ?        0.000000       37.89663 
1 1 1 16  31 17 o 181.8087 30.74076 1142.176       316.1059 1142.176       316.1059 0.000000       0.000000 181.8087 30.74076 ?        ?        0.000000       30.74076 
1 1 1 16  31 18 o 97.48849 36.62008 326.6929       283.7944 326.6929       283.7944 0.000000       0.000000 97.48849 36.62008 ?        ?        0.000000       36.62008 
1 1 1 16  31 19 o 77.10603 33.97813 50.32627       299.1107 50.32627       299.1107 0.000000       0.000000 77.10603 33.97813 ?        ?        0.000000       33.97813 
1 1 1 16  31 20 o 90.41209 36.62653 247.6201       301.9634 247.6201       301.9634 0.000000       0.000000 90.41209 36.62653 ?        ?        0.000000       36.62653 
1 1 1 16  31 21 o 116.1822 38.47122 539.9193       305.2300 539.9193       305.2300 0.000000       0.000000 116.1822 38.47122 ?        ?        0.000000       38.47122 
1 1 1 16  31 22 o 160.4887 28.62947 906.0710       259.5833 906.0710       259.5833 0.000000       0.000000 160.4887 28.62947 ?        ?        0.000000       28.62947 
1 1 1 16  31 23 o 58.03762 27.43257 -170.5465      246.0055 -170.5465      246.0055 0.000000       0.000000 58.03762 27.43257 ?        ?        0.000000       27.43257 
1 1 1 16  31 24 o 54.37152 26.03680 -221.8483      236.6884 -221.8483      236.6884 0.000000       0.000000 54.37152 26.03680 ?        ?        0.000000       26.03680 
1 1 1 16  31 25 o 116.3627 31.77507 516.2715       222.9064 640.7314       249.0524 15.12508       499.7563 129.1045 32.82498 84.98450 39.83466 44.12001       51.61666 
1 1 1 16  31 26 o 113.4274 32.84294 505.7626       230.9747 551.1620       256.0819 307.7003       534.8779 116.5627 34.80793 95.65865 43.51758 20.90408       55.72586 
1 1 1 16  31 27 o 71.65377 30.35189 119.4071       220.6515 146.3359       251.2411 28.58067       461.4122 75.87085 32.27267 81.84782 38.33600 -5.976974      50.11161 
1 1 1 16  31 28 o 73.59705 31.94075 116.7572       255.6125 116.7572       255.6125 0.000000       0.000000 73.59705 31.94075 ?        ?        0.000000       31.94075 
1 1 1 16  31 29 f 113.3268 32.78497 518.1349       230.2531 524.8068       272.2375 501.3682       431.5639 110.0634 36.32809 101.5259 42.69665 8.537415       56.06010 
1 1 1 16  31 30 o 67.60648 29.87128 66.13986       232.6357 180.2541       278.6270 -196.5071      422.7071 78.36713 33.67510 70.60768 34.06289 7.759453       47.89878 
1 1 1 16  31 31 o 98.99498 32.61028 403.5029       219.4047 414.3440       283.3619 387.2733       346.7046 96.92281 36.55227 93.56856 38.72379 3.354248       53.25035 
1 1 1 16  31 32 o 41.94438 20.93754 -442.2474      210.1207 -467.8311      280.9801 -409.7886      316.4904 50.18789 24.91343 55.46013 27.32959 -5.272243      36.98088 
1 1 1 16  32 0  o 244.6658 10.85403 1780.162       155.3576 2084.930       436.5668 1735.971       166.2399 253.8888 29.89167 241.3044 11.78242 12.58449       32.13000 
1 1 1 16  32 1  o 58.86122 24.14548 47.48938       133.2278 519.3174       390.9046 -14.51997      141.7123 122.9747 43.45461 54.07044 23.61958 68.90424       49.45894 
1 1 1 16  32 2  o 115.9478 19.40265 419.4340       127.2813 1384.862       405.7537 314.0654       134.0473 202.4846 35.45944 98.82878 23.47714 103.6558       42.52703 
1 1 1 16  32 3  o 175.0376 13.66418 921.4222       139.1595 896.1071       382.1870 925.2915       149.4162 158.4442 40.86335 175.0708 14.68764 -16.62657      43.42280 
1 1 1 16  32 4  o 42.83334 20.07076 -116.6259      126.6985 160.3793       398.2630 -147.8170      133.6415 96.69814 40.86008 42.37302 20.08481 54.32512       45.52961 
1 1 1 16  32 5  o 51.07862 21.94146 2.664139       118.2106 -636.5653      388.7929 67.77584       124.0851 63.14687 30.95102 59.71663 23.72148 3.430233       38.99582 
1 1 1 16  32 6  o 38.59248 18.53390 -166.4982      121.8696 -523.3917      384.8570 -126.7223      128.4814 65.66474 31.87457 42.50642 20.00983 23.15833       37.63485 
1 1 1 16  32 7  o 71.78181 24.42248 154.0836       122.9418 -124.8084      371.1883 188.4482       130.2962 78.42847 35.89753 77.69060 25.10007 0.7378769      43.80235 
1 1 1 16  32 8  o 121.2954 18.03412 457.2663       124.3918 656.1266       375.7141 432.7848       131.8265 133.1239 42.58590 117.2544 19.87942 15.86945       46.99734 
1 1 1 16  32 9  o 62.39266 23.62188 96.17766       118.6087 -259.9021      360.5297 139.3938       125.6002 71.03544 33.46434 69.48135 24.62429 1.554085       41.54778 
1 1 1 16  32 10 o 80.40144 23.61886 209.0146       118.6933 617.6914       341.3919 152.8223       126.5907 128.9756 40.51370 71.46656 24.76600 57.50909       47.48383 
1 1 1 16  32 11 o 104.4933 21.12461 351.0847       125.0012 830.4494       330.8351 271.2542       135.0091 151.0187 37.52022 90.66209 24.71752 60.35660       44.93020 
1 1 1 16  32 12 o 79.10203 34.70652 42.08508       308.9695 42.08508       308.9695 0.000000       0.000000 79.10203 34.70652 ?        ?        0.000000       34.70652 
1 1 1 16  32 13 o 135.9140 37.59535 689.3759       309.7699 689.3759       309.7699 0.000000       0.000000 135.9140 37.59535 ?        ?        0.000000       37.59535 
1 1 1 16  32 14 o 147.1066 35.66840 792.7219       304.5070 792.7219       304.5070 0.000000       0.000000 147.1066 35.66840 ?        ?        0.000000       35.66840 
1 1 1 16  32 15 o 145.0496 35.55621 776.0964       300.0905 776.0964       300.0905 0.000000       0.000000 145.0496 35.55621 ?        ?        0.000000       35.55621 
1 1 1 16  32 16 o 107.8465 38.37890 435.9403       305.3860 435.9403       305.3860 0.000000       0.000000 107.8465 38.37890 ?        ?        0.000000       38.37890 
1 1 1 16  32 17 o 52.43090 25.97365 -564.5116      299.5341 -564.5116      299.5341 0.000000       0.000000 52.43090 25.97365 ?        ?        0.000000       25.97365 
1 1 1 16  32 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  32 19 f 118.4447 38.54967 562.2269       307.0158 562.2269       307.0158 0.000000       0.000000 118.4447 38.54967 ?        ?        0.000000       38.54967 
1 1 1 16  32 20 o 78.73589 34.32176 104.1127       297.8740 104.1127       297.8740 0.000000       0.000000 78.73589 34.32176 ?        ?        0.000000       34.32176 
1 1 1 16  32 21 o 63.72911 29.98301 -153.7471      287.7317 -153.7471      287.7317 0.000000       0.000000 63.72911 29.98301 ?        ?        0.000000       29.98301 
1 1 1 16  32 22 o 93.87380 35.06077 329.2790       259.3677 329.2790       259.3677 0.000000       0.000000 93.87380 35.06077 ?        ?        0.000000       35.06077 
1 1 1 16  32 23 o 91.47803 34.09224 311.9968       244.9739 311.9968       244.9739 0.000000       0.000000 91.47803 34.09224 ?        ?        0.000000       34.09224 
1 1 1 16  32 24 o 64.78848 29.34406 -12.45722      239.9319 -12.45722      239.9319 0.000000       0.000000 64.78848 29.34406 ?        ?        0.000000       29.34406 
1 1 1 16  32 25 o 66.22483 29.42735 33.66033       228.9455 113.4233       259.7412 -244.1473      484.7440 74.25626 32.21244 74.97201 36.24401 -0.7157440     48.48989 
1 1 1 16  32 26 o 101.7351 32.34997 411.6364       217.0659 333.5495       247.1364 675.2171       454.0507 91.78515 34.23535 112.8337 45.19167 -21.04858      56.69521 
1 1 1 16  32 27 o 46.78247 22.97110 -328.9690      217.1584 -353.0076      253.9283 -263.5253      418.9775 50.85195 24.94294 69.19756 33.51093 -18.34561      41.77478 
1 1 1 16  32 28 o 93.62255 35.81389 366.9499       274.4049 366.9499       274.4049 0.000000       0.000000 93.62255 35.81389 ?        ?        0.000000       35.81389 
1 1 1 16  32 29 o 85.04342 32.08656 279.9156       218.4081 319.3943       266.2419 198.6819       381.9121 88.75037 34.90562 83.24626 37.42398 5.504112       51.17574 
1 1 1 16  32 30 o 57.45849 26.83758 -84.89506      223.5337 204.7813       287.3895 -528.5477      355.6608 80.01852 34.28929 56.40156 28.00329 23.61697       44.27120 
1 1 1 16  32 31 o 50.99720 24.57134 -205.2738      218.3020 -149.6135      286.5055 -282.3159      337.0734 60.86806 29.00968 60.88761 29.61855 -0.1955414E-01 41.45865 
1 1 1 16  33 0  o 77.89814 24.93671 191.3220       128.8093 646.6769       450.3803 150.7575       134.4243 130.8150 46.60187 72.00442 25.47877 58.81063       53.11216 
1 1 1 16  33 1  o 139.8526 18.13379 606.1136       145.2353 0.000000       0.000000 606.1136       145.2353 ?        ?        139.8526 18.13379 0.000000       18.13379 
1 1 1 16  33 2  o 186.1910 13.14591 1044.031       142.6261 0.000000       0.000000 1044.031       142.6261 ?        ?        186.1910 13.14591 0.000000       13.14591 
1 1 1 16  33 3  o 203.6472 11.73121 1241.960       139.5179 1308.436       384.4520 1231.877       149.7250 194.4564 34.99760 202.4663 12.67285 -8.009903      37.22141 
1 1 1 16  33 4  o 73.07034 24.10046 165.3001       119.8229 -19.54396      371.2935 186.7890       126.5964 82.59067 37.03292 76.90697 24.73169 5.683701       44.53194 
1 1 1 16  33 5  o 40.53646 19.08201 -113.7051      116.8302 -324.5523      354.2982 -87.98134      123.7519 67.65976 32.25027 43.91972 20.32716 23.74004       38.12182 
1 1 1 16  33 6  o 36.08865 17.60666 -209.1552      121.5651 -123.2601      365.1222 -219.8638      128.9204 76.69203 35.28701 37.20248 18.14600 39.48955       39.67934 
1 1 1 16  33 7  o 152.9378 14.60230 713.0215       129.3862 320.5118       365.1688 769.3724       138.3626 102.2347 40.66694 158.7336 15.04224 -56.49892      43.35976 
1 1 1 16  33 8  o 80.16064 24.32400 209.1968       124.3251 341.6559       370.8009 192.4200       131.9637 103.4946 41.04029 77.60358 25.27477 25.89105       48.19875 
1 1 1 16  33 9  o 130.1973 17.40815 528.5664       129.5966 547.6782       372.4030 525.9330       138.2372 119.6151 42.40002 129.2563 18.78522 -9.641243      46.37506 
1 1 1 16  33 10 o 213.4573 13.50519 1380.944       168.2015 1173.942       384.5796 1429.907       187.0393 178.2599 37.95090 216.5134 14.81918 -38.25342      40.74161 
1 1 1 16  33 11 o 127.9207 20.18165 522.4877       146.3938 312.4901       332.1288 573.1243       163.0915 98.53011 38.91393 133.3440 21.59262 -34.81387      44.50320 
1 1 1 16  33 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 16  33 13 o 175.9084 32.67712 1099.546       324.7101 1099.546       324.7101 0.000000       0.000000 175.9084 32.67712 ?        ?        0.000000       32.67712 
1 1 1 16  33 14 o 190.3992 30.86957 1266.929       332.9102 1266.929       332.9102 0.000000       0.000000 190.3992 30.86957 ?        ?        0.000000       30.86957 
1 1 1 16  33 15 o 94.82693 37.58293 295.5874       310.8005 295.5874       310.8005 0.000000       0.000000 94.82693 37.58293 ?        ?        0.000000       37.58293 
1 1 1 16  33 16 o 202.4983 26.75774 1387.357       310.0068 1387.357       310.0068 0.000000       0.000000 202.4983 26.75774 ?        ?        0.000000       26.75774 
1 1 1 16  33 17 o 165.9936 31.96939 996.3207       299.9366 996.3207       299.9366 0.000000       0.000000 165.9936 31.96939 ?        ?        0.000000       31.96939 
1 1 1 16  33 18 o 104.5283 39.17115 434.4868       324.3025 434.4868       324.3025 0.000000       0.000000 104.5283 39.17115 ?        ?        0.000000       39.17115 
1 1 1 16  33 19 o 106.7147 38.88235 466.6699       315.6332 466.6699       315.6332 0.000000       0.000000 106.7147 38.88235 ?        ?        0.000000       38.88235 
1 1 1 16  33 20 o 90.45780 36.91407 278.5438       309.3801 278.5438       309.3801 0.000000       0.000000 90.45780 36.91407 ?        ?        0.000000       36.91407 
1 1 1 16  33 21 o 63.78893 29.92516 -129.0776      283.0644 -129.0776      283.0644 0.000000       0.000000 63.78893 29.92516 ?        ?        0.000000       29.92516 
1 1 1 16  33 22 o 105.0721 33.08013 432.6808       227.4810 432.6808       227.4810 0.000000       0.000000 105.0721 33.08013 ?        ?        0.000000       33.08013 
1 1 1 16  33 23 o 68.72256 30.52668 45.43787       246.1564 45.43787       246.1564 0.000000       0.000000 68.72256 30.52668 ?        ?        0.000000       30.52668 
1 1 1 16  33 24 o 78.00408 32.90039 171.3637       257.4411 171.3637       257.4411 0.000000       0.000000 78.00408 32.90039 ?        ?        0.000000       32.90039 
1 1 1 16  33 25 o 65.21025 29.43961 10.56636       239.1970 10.56636       239.1970 0.000000       0.000000 65.21025 29.43961 ?        ?        0.000000       29.43961 
1 1 1 16  33 26 o 50.82177 24.60197 -246.1510      225.2373 -298.5923      274.0823 -137.0685      395.2954 54.92399 26.71541 71.21551 33.97845 -16.29152      43.22323 
1 1 1 16  33 27 o 86.90337 32.90088 296.1519       230.0893 503.4172       277.7371 -157.3321      410.8199 106.4129 36.69274 71.04974 34.09714 35.36317       50.08964 
1 1 1 16  33 28 o 108.4732 33.67850 494.5997       236.6391 613.2801       276.4980 169.6675       457.5082 117.8643 36.37263 84.18182 39.00424 33.68249       53.33197 
1 1 1 16  33 29 o 61.63157 29.30272 -141.4159      288.7603 -141.4159      288.7603 0.000000       0.000000 61.63157 29.30272 ?        ?        0.000000       29.30272 
1 1 1 16  34 0  o 252.3229 10.54591 1902.628       155.7158 2680.301       438.1487 1790.204       166.5915 286.2797 26.39332 244.2301 11.66434 42.04959       28.85592 
1 1 1 16  34 1  o 96.29739 23.43197 305.8916       131.0592 568.6348       377.0219 269.7786       139.7761 121.4597 42.69680 89.97791 25.38888 31.48182       49.67506 
1 1 1 16  34 2  o 70.09478 24.82903 146.1082       127.6836 696.9481       402.4823 84.46727       134.6384 131.9681 44.18944 62.46147 24.74238 69.50662       50.64476 
1 1 1 16  34 3  o 113.2040 20.03701 409.4717       128.1615 387.6918       360.8716 412.6152       137.0988 106.0194 40.93761 112.9994 21.47222 -6.980019      46.22709 
1 1 1 16  34 4  o 100.7372 22.11366 331.6871       127.0578 46.34760       356.1833 373.2904       136.0055 83.02536 36.80899 106.8777 22.41492 -23.85233      43.09676 
1 1 1 16  34 5  o 53.26186 22.85933 12.73005       128.0978 -720.4840      350.6570 125.6460       137.6083 55.24161 27.49033 67.93916 25.50427 -12.69754      37.49915 
1 1 1 16  34 6  o 128.1434 17.81190 515.1728       130.2481 508.9838       341.1279 516.2291       140.9248 115.5022 40.61264 127.5015 19.46183 -11.99927      45.03497 
1 1 1 16  34 7  o 68.81749 24.47403 141.2469       124.1681 883.2658       333.6061 21.92282       133.7798 153.6506 37.38261 55.09167 23.49558 98.55892       44.15316 
1 1 1 16  34 8  o 71.77242 24.81767 159.8453       127.0899 -134.2382      317.7874 215.8349       138.6613 69.76907 32.38874 80.88508 25.87070 -11.11600      41.45266 
1 1 1 16  34 9  o 70.56079 25.20074 150.3027       131.7863 174.7361       319.8793 145.3077       144.6311 87.05331 36.69308 70.86065 26.23574 16.19267       45.10761 
1 1 1 16  34 10 o 79.93277 25.07486 211.9205       130.8188 -105.5797      309.9720 280.7266       144.2993 69.90305 32.28857 90.85432 25.85093 -20.95127      41.36209 
1 1 1 16  34 11 o 98.02178 38.21877 330.1583       316.8722 330.1583       316.8722 0.000000       0.000000 98.02178 38.21877 ?        ?        0.000000       38.21877 
1 1 1 16  34 12 o 154.5672 34.19159 877.9801       301.7217 877.9801       301.7217 0.000000       0.000000 154.5672 34.19159 ?        ?        0.000000       34.19159 
1 1 1 16  34 13 o 169.4353 35.23715 1067.824       338.7248 1067.824       338.7248 0.000000       0.000000 169.4353 35.23715 ?        ?        0.000000       35.23715 
1 1 1 16  34 14 o 90.92611 37.54453 250.0237       324.9010 250.0237       324.9010 0.000000       0.000000 90.92611 37.54453 ?        ?        0.000000       37.54453 
1 1 1 16  34 15 o 87.59639 36.61325 217.6944       314.3752 217.6944       314.3752 0.000000       0.000000 87.59639 36.61325 ?        ?        0.000000       36.61325 
1 1 1 16  34 16 o 69.14899 31.68649 -47.66119      290.3177 -47.66119      290.3177 0.000000       0.000000 69.14899 31.68649 ?        ?        0.000000       31.68649 
1 1 1 16  34 17 o 76.78979 33.72072 90.95924       292.2299 90.95924       292.2299 0.000000       0.000000 76.78979 33.72072 ?        ?        0.000000       33.72072 
1 1 1 16  34 18 f 153.5613 37.12205 943.8979       330.5941 943.8979       330.5941 0.000000       0.000000 153.5613 37.12205 ?        ?        0.000000       37.12205 
1 1 1 16  34 19 o 110.0209 39.11072 517.6697       317.0648 517.6697       317.0648 0.000000       0.000000 110.0209 39.11072 ?        ?        0.000000       39.11072 
1 1 1 16  34 20 o 58.01151 28.11710 -309.4942      296.5329 -309.4942      296.5329 0.000000       0.000000 58.01151 28.11710 ?        ?        0.000000       28.11710 
1 1 1 16  34 21 o 83.88591 34.82098 227.8304       281.5139 227.8304       281.5139 0.000000       0.000000 83.88591 34.82098 ?        ?        0.000000       34.82098 
1 1 1 16  34 22 o 67.12677 30.11518 25.24623       245.8952 25.24623       245.8952 0.000000       0.000000 67.12677 30.11518 ?        ?        0.000000       30.11518 
1 1 1 16  34 23 f 56.59229 27.13363 -208.9894      258.8019 -208.9894      258.8019 0.000000       0.000000 56.59229 27.13363 ?        ?        0.000000       27.13363 
1 1 1 16  34 24 o 71.00783 31.92121 55.41014       277.8358 55.41014       277.8358 0.000000       0.000000 71.00783 31.92121 ?        ?        0.000000       31.92121 
1 1 1 16  34 25 o 76.00836 32.79536 152.0775       266.3428 152.0775       266.3428 0.000000       0.000000 76.00836 32.79536 ?        ?        0.000000       32.79536 
1 1 1 16  34 26 o 54.12185 25.87506 -176.7835      231.7040 -49.05732      272.1498 -513.2703      441.7252 64.30318 29.89281 63.71888 31.56136 0.5842972      43.47068 
1 1 1 16  34 27 o 69.61359 30.75066 86.19719       246.3916 -59.86131      279.7033 592.1584       520.5865 64.30550 30.03074 101.9381 44.87703 -37.63262      53.99809 
1 1 1 16  34 28 f 78.62279 33.06236 206.3807       258.7473 174.1211       300.9778 297.7520       506.5350 78.09475 34.25994 89.27863 41.25145 -11.18388      53.62300 
1 1 1 16  35 0  o 98.63107 23.52814 324.6593       134.1869 469.3424       365.3769 302.1025       144.2684 110.7135 41.55927 94.37603 25.47611 16.33751       48.74633 
1 1 1 16  35 1  o 69.79293 25.36798 143.8900       134.2396 1105.380       373.6859 1.428266       143.8412 170.7495 38.26575 54.67355 23.84126 116.0759       45.08518 
1 1 1 16  35 2  o 113.4849 22.54220 423.6584       144.7418 0.000000       0.000000 423.6584       144.7418 ?        ?        113.4849 22.54220 0.000000       22.54220 
1 1 1 16  35 3  o 153.9267 15.65097 732.4079       139.3255 1031.747       355.0932 677.9396       151.4720 165.3641 37.48286 146.8664 17.95887 18.49768       41.56303 
1 1 1 16  35 4  o 49.06944 22.36704 -62.06786      142.1833 0.000000       0.000000 -62.06786      142.1833 ?        ?        49.06944 22.36704 0.000000       22.36704 
1 1 1 16  35 5  o 92.32745 23.26376 285.1264       125.8958 352.7888       327.7043 273.4110       136.3600 100.2347 38.92709 89.85991 24.97676 10.37480       46.25102 
1 1 1 16  35 6  f 54.81834 23.16534 31.22990       128.0269 291.7077       314.4323 -20.53571      140.1724 94.75555 37.72170 51.96875 23.06297 42.78680       44.21342 
1 1 1 16  35 7  o 53.00451 22.92108 9.474874       130.6781 453.9588       317.4728 -81.19695      143.3886 108.6286 39.07603 47.81755 22.04187 60.81104       44.86402 
1 1 1 16  35 8  o 128.6476 19.34183 529.4359       141.4194 309.3877       336.1035 576.7740       155.8905 96.52898 38.80561 133.6951 20.53752 -37.16611      43.90518 
1 1 1 16  35 9  o 51.54406 22.87360 -19.29642      137.8665 -415.2061      332.9960 62.60597       151.4570 60.28704 29.35176 61.46384 25.52957 -1.176800      38.90096 
1 1 1 16  35 10 o 47.24033 22.31046 -143.2260      162.0883 136.1172       329.0159 -232.7500      186.2591 83.78971 36.30163 46.96286 22.64481 36.82685       42.78547 
1 1 1 16  35 11 o 75.04771 34.35325 -35.09382      340.0419 -35.09382      340.0419 0.000000       0.000000 75.04771 34.35325 ?        ?        0.000000       34.35325 
1 1 1 16  35 12 f 78.61115 34.75024 77.92198       315.1989 77.92198       315.1989 0.000000       0.000000 78.61115 34.75024 ?        ?        0.000000       34.75024 
1 1 1 16  35 13 o 172.9797 33.06839 1108.265       323.2499 1108.265       323.2499 0.000000       0.000000 172.9797 33.06839 ?        ?        0.000000       33.06839 
1 1 1 16  35 14 o 158.3723 33.25171 942.1414       298.9960 942.1414       298.9960 0.000000       0.000000 158.3723 33.25171 ?        ?        0.000000       33.25171 
1 1 1 16  35 15 o 57.54193 27.97627 -347.6914      299.6537 -347.6914      299.6537 0.000000       0.000000 57.54193 27.97627 ?        ?        0.000000       27.97627 
1 1 1 16  35 16 o 68.44597 31.68022 -68.42577      300.6495 -68.42577      300.6495 0.000000       0.000000 68.44597 31.68022 ?        ?        0.000000       31.68022 
1 1 1 16  35 17 o 68.29940 31.69835 -71.85086      304.0861 -71.85086      304.0861 0.000000       0.000000 68.29940 31.69835 ?        ?        0.000000       31.69835 
1 1 1 16  35 18 o 66.60812 31.40092 -135.4790      318.4564 -135.4790      318.4564 0.000000       0.000000 66.60812 31.40092 ?        ?        0.000000       31.40092 
1 1 1 16  35 19 o 94.05695 37.54058 352.2679       312.2171 352.2679       312.2171 0.000000       0.000000 94.05695 37.54058 ?        ?        0.000000       37.54058 
1 1 1 16  35 20 o 66.27278 30.72043 -55.62218      284.3000 -55.62218      284.3000 0.000000       0.000000 66.27278 30.72043 ?        ?        0.000000       30.72043 
1 1 1 16  35 21 o 101.3810 37.29551 447.7272       291.4678 447.7272       291.4678 0.000000       0.000000 101.3810 37.29551 ?        ?        0.000000       37.29551 
1 1 1 16  35 22 o 105.5650 35.34789 474.7044       257.5354 474.7044       257.5354 0.000000       0.000000 105.5650 35.34789 ?        ?        0.000000       35.34789 
1 1 1 16  35 23 f 145.5313 32.65375 837.5538       271.8326 837.5538       271.8326 0.000000       0.000000 145.5313 32.65375 ?        ?        0.000000       32.65375 
1 1 1 16  35 24 o 59.51572 28.45318 -178.0685      280.1436 -178.0685      280.1436 0.000000       0.000000 59.51572 28.45318 ?        ?        0.000000       28.45318 
1 1 1 16  35 25 o 54.27592 26.60468 -348.1213      287.4068 -348.1213      287.4068 0.000000       0.000000 54.27592 26.60468 ?        ?        0.000000       26.60468 
1 1 1 16  35 26 o 78.26321 33.69662 188.6076       280.0289 188.6076       280.0289 0.000000       0.000000 78.26321 33.69662 ?        ?        0.000000       33.69662 
1 1 1 16  35 27 o 61.40138 28.44822 -41.00970      243.3455 104.0371       288.6327 -397.5316      452.5165 72.90604 32.67392 66.20843 32.63626 6.697617       46.18128 
1 1 1 16  36 0  f 45.73389 21.16929 -84.18510      134.2766 613.4742       371.7467 -188.8654      143.9985 120.8758 42.40447 41.39379 19.94727 79.48199       46.86184 
1 1 1 16  36 1  o 77.96933 25.77003 201.4128       136.9762 379.7247       351.8390 169.5587       148.7086 101.7411 40.09222 73.86983 26.72132 27.87125       48.18106 
1 1 1 16  36 2  o 69.08221 25.52022 140.5936       136.7148 759.7939       352.3720 30.86691       148.3344 135.9182 40.88735 57.78936 24.69602 78.12882       47.76682 
1 1 1 16  36 3  o 75.14821 25.18849 184.5292       130.7682 -340.2194      335.3728 278.6147       142.0082 62.76180 30.29342 90.07645 25.64994 -27.31466      39.69397 
1 1 1 16  36 4  o 57.97235 23.69616 61.84592       127.7427 381.7815       351.0164 13.00544       137.1469 101.6115 40.04404 54.26463 23.47379 47.34687       46.41707 
1 1 1 16  36 5  o 73.38091 25.62101 172.1847       135.6118 408.0772       354.3930 131.7179       146.7836 103.4661 40.39615 68.64307 26.20949 34.82306       48.15378 
1 1 1 16  36 6  o 73.62695 27.00170 167.8106       152.5876 0.000000       0.000000 167.8106       152.5876 ?        ?        73.62695 27.00170 0.000000       27.00170 
1 1 1 16  36 7  o 63.69142 25.47047 94.46266       144.0064 258.3192       366.6368 64.57272       156.5910 92.67133 39.18359 61.99694 25.87136 30.67438       46.95403 
1 1 1 16  36 8  o 70.88120 26.21464 152.6633       144.3282 -300.5305      355.6791 241.9951       157.9136 65.61464 31.55034 83.75770 27.66899 -18.14306      41.96423 
1 1 1 16  36 9  o 144.3535 17.42342 660.1077       144.5263 687.6777       331.1251 653.6193       160.6350 128.0625 39.85130 142.1526 19.80493 -14.09010      44.50126 
1 1 1 16  36 10 o 110.6911 23.91982 418.3592       150.7431 182.7438       326.8516 482.0151       169.8901 84.90388 36.47839 118.0935 25.29179 -33.18964      44.38860 
1 1 1 16  36 11 o 75.08183 33.94237 26.72694       319.2330 26.72694       319.2330 0.000000       0.000000 75.08183 33.94237 ?        ?        0.000000       33.94237 
1 1 1 16  36 12 o 89.47615 38.10437 247.8900       350.9572 247.8900       350.9572 0.000000       0.000000 89.47615 38.10437 ?        ?        0.000000       38.10437 
1 1 1 16  36 13 o 124.3923 41.78256 695.9349       359.8057 695.9349       359.8057 0.000000       0.000000 124.3923 41.78256 ?        ?        0.000000       41.78256 
1 1 1 16  36 14 o 176.9269 32.25547 1171.546       322.3660 1171.546       322.3660 0.000000       0.000000 176.9269 32.25547 ?        ?        0.000000       32.25547 
1 1 1 16  36 15 o 132.8173 37.11462 731.9268       300.2275 731.9268       300.2275 0.000000       0.000000 132.8173 37.11462 ?        ?        0.000000       37.11462 
1 1 1 16  36 16 o 73.77272 33.45534 36.08204       313.0623 36.08204       313.0623 0.000000       0.000000 73.77272 33.45534 ?        ?        0.000000       33.45534 
1 1 1 16  36 17 o 80.15276 35.15014 153.8843       316.5654 153.8843       316.5654 0.000000       0.000000 80.15276 35.15014 ?        ?        0.000000       35.15014 
1 1 1 16  36 18 o 86.81087 36.27405 267.0831       308.4391 267.0831       308.4391 0.000000       0.000000 86.81087 36.27405 ?        ?        0.000000       36.27405 
1 1 1 16  36 19 o 57.20965 27.69769 -271.4254      285.7138 -271.4254      285.7138 0.000000       0.000000 57.20965 27.69769 ?        ?        0.000000       27.69769 
1 1 1 16  36 20 o 130.0401 36.27820 721.4785       287.1042 721.4785       287.1042 0.000000       0.000000 130.0401 36.27820 ?        ?        0.000000       36.27820 
1 1 1 16  36 21 o 76.49922 33.96595 126.7596       304.4067 126.7596       304.4067 0.000000       0.000000 76.49922 33.96595 ?        ?        0.000000       33.96595 
1 1 1 16  36 22 o 145.8154 33.75801 864.8517       282.9865 864.8517       282.9865 0.000000       0.000000 145.8154 33.75801 ?        ?        0.000000       33.75801 
1 1 1 16  36 23 o 130.6698 36.63813 750.9579       292.0430 750.9579       292.0430 0.000000       0.000000 130.6698 36.63813 ?        ?        0.000000       36.63813 
1 1 1 16  36 24 o 82.73644 34.84897 250.2756       288.2097 250.2756       288.2097 0.000000       0.000000 82.73644 34.84897 ?        ?        0.000000       34.84897 
1 1 1 16  36 25 o 64.36182 30.36063 -86.98991      298.5389 -86.98991      298.5389 0.000000       0.000000 64.36182 30.36063 ?        ?        0.000000       30.36063 
1 1 1 16  37 0  o 67.96674 25.70032 134.4275       140.2974 643.3623       381.0917 54.63665       150.8951 120.2157 42.86304 59.98489 25.23797 60.23080       49.74128 
1 1 1 16  37 1  o 36.90537 18.23116 -284.7671      143.8664 0.000000       0.000000 -284.7671      143.8664 ?        ?        36.90537 18.23116 0.000000       18.23116 
1 1 1 16  37 2  o 139.0066 17.12943 611.8660       136.6958 923.2773       315.6391 539.9758       151.6555 154.4666 35.57636 128.2575 20.87913 26.20911       41.25064 
1 1 1 16  37 3  o 67.85095 25.10156 138.6745       132.3498 288.7351       324.0307 108.6270       144.9961 92.08120 37.70097 65.11076 25.71274 26.97044       45.63451 
1 1 1 16  37 4  o 88.22775 25.26356 271.2046       137.3876 95.92382       323.5561 309.7591       151.7470 79.37492 35.14208 93.63358 26.46526 -14.25866      43.99291 
1 1 1 16  37 5  o 72.32215 25.82765 168.8387       138.4218 -4.597565      327.7405 206.4933       152.7107 74.19790 33.87384 78.13021 27.19414 -3.932312      43.43913 
1 1 1 16  37 6  o 61.89001 25.61173 74.85096       151.6496 -47.98475      357.8472 101.7404       167.4273 74.46175 34.49879 66.40813 27.13441 8.053619       43.89126 
1 1 1 16  37 7  o 162.9283 16.53317 837.0687       155.7953 707.6218       353.4633 868.2811       173.5647 126.2565 41.38041 164.7214 18.27346 -38.46486      45.23558 
1 1 1 16  37 8  o 112.6930 25.77155 445.8588       166.6160 0.000000       0.000000 445.8588       166.6160 ?        ?        112.6930 25.77155 0.000000       25.77155 
1 1 1 16  37 9  o 88.75154 28.36781 284.4703       166.7424 38.33871       366.0631 348.9077       187.3015 78.51286 35.82684 96.92821 29.94066 -18.41535      46.69053 
1 1 1 16  37 10 o 52.42369 23.43110 -18.65123      147.3585 -643.5291      369.5622 99.48157       160.6850 56.79169 28.25511 65.20997 26.60610 -8.418282      38.81025 
1 1 1 16  37 11 o 87.48415 38.39394 213.9099       378.3265 213.9099       378.3265 0.000000       0.000000 87.48415 38.39394 ?        ?        0.000000       38.39394 
1 1 1 16  37 12 o 57.38032 28.44858 -572.5216      362.0750 -572.5216      362.0750 0.000000       0.000000 57.38032 28.44858 ?        ?        0.000000       28.44858 
1 1 1 16  37 13 o 197.9276 33.48844 1504.288       374.8835 1504.288       374.8835 0.000000       0.000000 197.9276 33.48844 ?        ?        0.000000       33.48844 
1 1 1 16  37 14 o 84.88698 37.55643 195.7540       368.9189 195.7540       368.9189 0.000000       0.000000 84.88698 37.55643 ?        ?        0.000000       37.55643 
1 1 1 16  37 15 o 137.8770 39.37093 842.1716       334.1154 842.1716       334.1154 0.000000       0.000000 137.8770 39.37093 ?        ?        0.000000       39.37093 
1 1 1 16  37 16 o 101.9160 38.76789 465.3098       320.3839 465.3098       320.3839 0.000000       0.000000 101.9160 38.76789 ?        ?        0.000000       38.76789 
1 1 1 16  37 17 o 153.6009 35.66869 974.3212       315.1388 974.3212       315.1388 0.000000       0.000000 153.6009 35.66869 ?        ?        0.000000       35.66869 
1 1 1 16  37 18 o 161.5069 32.57688 1023.373       297.9093 1023.373       297.9093 0.000000       0.000000 161.5069 32.57688 ?        ?        0.000000       32.57688 
1 1 1 16  37 19 o 86.78905 35.47435 291.2404       286.2857 291.2404       286.2857 0.000000       0.000000 86.78905 35.47435 ?        ?        0.000000       35.47435 
1 1 1 16  37 20 o 64.01447 29.89376 -63.56938      277.1174 -63.56938      277.1174 0.000000       0.000000 64.01447 29.89376 ?        ?        0.000000       29.89376 
1 1 1 16  37 21 o 91.87515 37.25705 370.7095       312.8137 370.7095       312.8137 0.000000       0.000000 91.87515 37.25705 ?        ?        0.000000       37.25705 
1 1 1 16  37 22 o 93.45155 36.85231 390.3023       297.4634 390.3023       297.4634 0.000000       0.000000 93.45155 36.85231 ?        ?        0.000000       36.85231 
1 1 1 16  37 23 o 80.55579 34.68932 219.8597       296.8636 219.8597       296.8636 0.000000       0.000000 80.55579 34.68932 ?        ?        0.000000       34.68932 
1 1 1 16  38 0  o 151.0870 17.01646 725.8392       148.1618 1187.697       359.9467 631.6223       162.5731 172.3617 36.73207 138.3742 20.66516 33.98758       42.14610 
1 1 1 16  38 1  o 105.9539 23.06046 384.3626       139.2183 595.5272       312.8389 332.2168       155.4604 117.3844 38.95052 96.21101 26.64102 21.17337       47.18991 
1 1 1 16  38 2  o 104.5143 24.47582 380.6909       147.3713 82.64089       308.4100 468.8826       167.7637 76.52605 34.07065 115.6182 25.43364 -39.09212      42.51681 
1 1 1 16  38 3  o 41.33791 19.77793 -150.7378      135.9174 -22.71095      301.9441 -183.2718      152.2104 70.37493 32.27301 42.72671 20.56897 27.64822       38.27048 
1 1 1 16  38 4  o 69.28927 26.07936 147.3874       144.0885 -97.41547      313.9885 212.6919       162.1724 67.93609 31.75632 78.64589 27.96974 -10.70980      42.31749 
1 1 1 16  38 5  o 65.00922 26.42280 101.7479       157.7549 122.3659       338.5052 96.02749       178.3010 80.49673 35.77495 66.46848 27.66161 14.02825       45.22181 
1 1 1 16  38 6  f 174.2796 17.09177 965.8206       172.4523 966.2812       349.1638 965.6720       198.3308 150.9631 39.12144 171.8301 20.05750 -20.86699      43.96351 
1 1 1 16  38 7  o 66.15596 26.40510 116.2933       154.4682 153.9018       359.7894 107.7947       171.0331 82.99950 36.88515 66.76905 27.36995 16.23045       45.93069 
1 1 1 16  38 8  o 88.45209 28.37065 286.8798       166.6676 319.4290       364.6536 278.2847       187.3855 92.60836 39.11325 86.87354 30.13025 5.734825       49.37285 
1 1 1 16  38 9  o 75.11737 28.02612 187.5219       165.6428 186.1428       370.0351 187.8674       185.2386 84.78352 37.55682 76.01659 29.33598 8.766930       47.65621 
1 1 1 16  38 10 o 151.7505 17.59827 740.6178       153.7207 0.000000       0.000000 740.6178       153.7207 ?        ?        151.7505 17.59827 0.000000       17.59827 
1 1 1 16  38 11 o 104.2136 41.89387 513.4476       391.7181 513.4476       391.7181 0.000000       0.000000 104.2136 41.89387 ?        ?        0.000000       41.89387 
1 1 1 16  38 12 o 86.82049 38.48360 233.5238       389.1308 233.5238       389.1308 0.000000       0.000000 86.82049 38.48360 ?        ?        0.000000       38.48360 
1 1 1 16  38 13 o 75.09808 34.60204 31.61753       352.8200 31.61753       352.8200 0.000000       0.000000 75.09808 34.60204 ?        ?        0.000000       34.60204 
1 1 1 16  38 14 o 179.6605 34.44326 1293.813       349.7147 1293.813       349.7147 0.000000       0.000000 179.6605 34.44326 ?        ?        0.000000       34.44326 
1 1 1 16  38 15 o 82.31345 37.05299 174.6676       375.7575 174.6676       375.7575 0.000000       0.000000 82.31345 37.05299 ?        ?        0.000000       37.05299 
1 1 1 16  38 16 o 124.6295 39.94761 732.8002       330.4817 732.8002       330.4817 0.000000       0.000000 124.6295 39.94761 ?        ?        0.000000       39.94761 
1 1 1 16  38 17 o 100.2490 39.86599 480.6477       350.8317 480.6477       350.8317 0.000000       0.000000 100.2490 39.86599 ?        ?        0.000000       39.86599 
1 1 1 16  38 18 o 96.29617 37.45424 421.1027       303.7327 421.1027       303.7327 0.000000       0.000000 96.29617 37.45424 ?        ?        0.000000       37.45424 
1 1 1 16  38 19 o 75.82883 33.67931 139.6133       299.5360 139.6133       299.5360 0.000000       0.000000 75.82883 33.67931 ?        ?        0.000000       33.67931 
1 1 1 16  38 20 o 121.2070 37.72506 678.8476       296.7185 678.8476       296.7185 0.000000       0.000000 121.2070 37.72506 ?        ?        0.000000       37.72506 
1 1 1 16  38 21 o 78.85342 34.62083 189.3284       307.9160 189.3284       307.9160 0.000000       0.000000 78.85342 34.62083 ?        ?        0.000000       34.62083 
1 1 1 16  38 22 f 60.42622 28.73772 -128.0186      278.1240 -128.0186      278.1240 0.000000       0.000000 60.42622 28.73772 ?        ?        0.000000       28.73772 
1 1 1 16  39 0  o 118.9973 22.95873 486.1859       154.4217 825.6765       345.9902 401.7372       172.5624 135.1770 40.48145 104.3914 27.72247 30.78560       49.06407 
1 1 1 16  39 1  o 52.43048 23.39934 -11.93108      146.3840 -114.8970      306.3552 18.53320       166.6380 65.72863 30.92821 57.84784 25.43118 7.880795       40.04122 
1 1 1 16  39 2  o 41.70458 20.18727 -197.3602      151.5969 -408.6603      317.3974 -134.9111      172.5508 56.66402 27.81263 48.47279 22.93047 8.191235       36.04648 
1 1 1 16  39 3  o 66.66373 26.12950 127.9901       148.7562 95.41125       316.5672 137.2224       168.5207 76.58737 34.27900 69.21866 27.59581 7.368713       44.00658 
1 1 1 16  39 4  o 76.64295 28.07620 202.7737       164.9010 16.92495       342.2474 258.9623       188.1848 74.21457 34.15316 83.90262 30.09685 -9.688049      45.52207 
1 1 1 16  39 5  o 179.4618 17.12597 1030.535       178.0676 904.5479       353.3521 1073.421       206.1589 141.3858 40.52558 180.7532 19.76962 -39.36736      45.09058 
1 1 1 16  39 6  o 57.83847 25.45273 19.75605       167.3090 -155.6738      365.6695 66.20515       188.1593 68.80169 32.78595 64.07110 27.60417 4.730591       42.85917 
1 1 1 16  39 7  o 82.59081 28.19063 249.8725       163.8268 203.6491       364.9953 261.5342       183.3317 84.28902 37.32087 83.94088 29.74990 0.3481445      47.72739 
1 1 1 16  39 8  o 148.3240 20.30028 731.7369       171.9604 865.2148       349.0036 688.9432       197.6127 137.0543 40.56361 139.7880 25.02318 -2.733673      47.66095 
1 1 1 16  39 9  o 84.29690 27.31504 261.6856       154.2376 268.0976       340.2951 260.0278       173.0314 86.88901 37.27429 83.63955 28.95613 3.249458       47.19990 
1 1 1 16  39 10 o 79.87057 30.82337 227.8855       204.4991 346.6297       360.4010 171.4995       248.3509 91.76676 38.82730 76.54598 32.30139 15.22078       50.50682 
1 1 1 16  39 11 o 70.62408 33.38789 -80.55776      364.7209 -80.55776      364.7209 0.000000       0.000000 70.62408 33.38789 ?        ?        0.000000       33.38789 
1 1 1 16  39 12 o 101.2878 41.09761 502.5172       380.8812 502.5172       380.8812 0.000000       0.000000 101.2878 41.09761 ?        ?        0.000000       41.09761 
1 1 1 16  39 13 f 110.8172 42.93949 649.6527       398.0538 649.6527       398.0538 0.000000       0.000000 110.8172 42.93949 ?        ?        0.000000       42.93949 
1 1 1 16  39 14 o 78.32996 35.70413 116.9145       362.2820 116.9145       362.2820 0.000000       0.000000 78.32996 35.70413 ?        ?        0.000000       35.70413 
1 1 1 16  39 15 o 125.1206 41.97131 795.9873       363.0735 795.9873       363.0735 0.000000       0.000000 125.1206 41.97131 ?        ?        0.000000       41.97131 
1 1 1 16  39 16 o 65.68367 31.60353 -181.2275      358.1928 -181.2275      358.1928 0.000000       0.000000 65.68367 31.60353 ?        ?        0.000000       31.60353 
1 1 1 16  39 17 o 130.5724 40.10646 824.5587       336.6571 824.5587       336.6571 0.000000       0.000000 130.5724 40.10646 ?        ?        0.000000       40.10646 
1 1 1 16  39 18 o 67.15059 30.97124 3.063591       283.6737 3.063591       283.6737 0.000000       0.000000 67.15059 30.97124 ?        ?        0.000000       30.97124 
1 1 1 16  39 19 o 69.18520 31.66826 38.92934       288.9225 38.92934       288.9225 0.000000       0.000000 69.18520 31.66826 ?        ?        0.000000       31.66826 
1 1 1 16  40 0  o 39.94844 19.67527 -282.1761      163.3036 -100.2217      355.6858 -330.7755      183.8233 69.32040 32.83097 41.58568 20.55512 27.73472       38.73481 
1 1 1 16  40 1  o 64.42123 26.62624 101.1086       163.6248 931.6566       375.5657 -93.47490      181.7844 138.4615 42.32900 51.79075 24.19412 86.67071       48.75551 
1 1 1 16  40 2  o 99.60225 27.42439 371.3467       165.2593 1218.762       372.5702 163.7785       184.3913 167.4145 38.71775 72.32168 28.85502 95.09283       48.28743 
1 1 1 16  40 3  o 79.70515 27.99794 232.1476       162.0959 700.7350       358.3337 111.5913       181.7554 118.7285 41.63387 66.96937 27.90382 51.75911       50.11988 
1 1 1 16  40 4  o 118.9597 24.41252 502.0797       164.6055 653.2034       342.7888 456.7891       187.6569 115.6477 40.70748 109.3849 28.84485 6.262848       49.89112 
1 1 1 16  40 5  o 49.55434 23.18722 -95.18454      168.0976 -197.3084      344.7024 -63.32060      192.5442 64.80911 31.13629 54.93741 25.40135 9.871700       40.18329 
1 1 1 16  40 6  o 56.05394 25.08042 -0.7233861E-01 169.3156 -237.9701      356.8071 69.06543       192.3517 64.39573 31.12239 64.05986 27.75514 0.3358688      41.70073 
1 1 1 16  40 7  o 95.12534 28.80365 348.8279       174.4628 -556.5730      364.5631 617.7673       198.6915 56.62469 28.15399 129.6039 27.01718 -72.97922      39.02020 
1 1 1 16  40 8  o 58.44942 25.56142 35.45262       166.3827 -311.5745      398.2824 108.8176       183.1276 65.37219 31.88797 66.57821 27.89421 -1.206017      42.36661 
1 1 1 16  40 9  o 85.87025 27.08920 276.1529       152.4744 613.3461       391.4712 215.8518       165.5476 108.0174 42.37329 77.25886 28.15791 30.75854       50.87597 
1 1 1 16  40 10 o 56.28481 25.87072 -44.45535      195.5561 285.9025       338.9484 -209.2906      239.4232 86.50173 37.15582 53.63376 25.81399 32.86797       45.24287 
1 1 1 16  40 11 o 63.33403 30.72601 -258.3655      356.3080 -258.3655      356.3080 0.000000       0.000000 63.33403 30.72601 ?        ?        0.000000       30.72601 
1 1 1 16  40 12 f 67.30926 32.41624 -178.1167      378.9421 -178.1167      378.9421 0.000000       0.000000 67.30926 32.41624 ?        ?        0.000000       32.41624 
1 1 1 16  40 13 o 78.74702 35.55083 159.0383       348.8105 159.0383       348.8105 0.000000       0.000000 78.74702 35.55083 ?        ?        0.000000       35.55083 
1 1 1 16  40 14 o 119.0326 42.97198 772.6572       384.3430 772.6572       384.3430 0.000000       0.000000 119.0326 42.97198 ?        ?        0.000000       42.97198 
1 1 1 16  40 15 o 79.12825 36.36069 142.3020       385.9352 142.3020       385.9352 0.000000       0.000000 79.12825 36.36069 ?        ?        0.000000       36.36069 
1 1 1 16  40 16 o 57.37138 28.40773 -462.7409      356.7483 -462.7409      356.7483 0.000000       0.000000 57.37138 28.40773 ?        ?        0.000000       28.40773 
1 1 1 16  40 17 o 175.1986 34.39434 1281.084       340.7802 1281.084       340.7802 0.000000       0.000000 175.1986 34.39434 ?        ?        0.000000       34.39434 
1 1 1 16  41 0  o 97.89951 27.99651 367.8209       168.8266 623.0611       368.9376 300.2176       189.8727 109.1710 41.58420 87.22169 30.32510 21.94926       51.46706 
1 1 1 16  41 1  o 157.8083 24.67417 885.0767       220.8878 1723.178       386.3267 478.0153       269.2381 208.3163 32.69695 103.0754 36.09287 105.2409       48.70098 
1 1 1 16  41 2  o 125.1082 24.66112 560.6807       174.5105 656.7593       386.8572 536.1349       195.5356 110.6355 42.47284 118.5401 28.48217 -7.904633      51.13879 
1 1 1 16  41 3  o 146.1668 20.64353 722.1334       172.0425 656.9288       386.9364 738.2003       192.0727 110.6316 42.47570 145.2718 23.33405 -34.64018      48.46301 
1 1 1 16  41 4  o 70.79764 28.04436 161.2605       172.9714 -285.6705      382.7206 275.9846       193.9050 64.49706 31.41616 84.19458 30.50508 -19.69752      43.78967 
1 1 1 16  41 5  o 81.49206 29.59713 252.7092       182.6805 -483.9031      386.4320 464.7035       207.3078 59.73695 29.57672 107.1918 31.13769 -47.45487      42.94576 
1 1 1 16  41 6  o 59.62388 26.65849 18.33840       190.9239 154.3782       389.1088 -24.79993      219.1138 80.28036 36.74842 59.91871 27.48326 20.36166       45.88874 
1 1 1 16  41 7  f 64.17442 26.95988 98.44089       171.7796 -207.7765      407.8652 164.4710       189.3968 68.17326 33.02647 71.74158 29.02735 -3.568329      43.96970 
1 1 1 16  41 8  o 90.33627 26.82486 309.7134       152.4245 -306.3943      410.9261 408.0068       164.1336 65.56415 32.06939 104.0733 26.74709 -38.50919      41.75946 
1 1 1 16  41 9  o 115.6024 23.21767 473.8098       151.9398 432.4883       361.6884 482.6644       167.4296 94.40891 39.35197 114.5820 25.56510 -20.17311      46.92709 
1 1 1 16  41 10 o 111.8642 27.87225 479.4280       182.1847 13.26174       363.5834 635.7149       210.5207 72.56322 34.00105 128.6899 28.63185 -56.12669      44.45058 
1 1 1 16  41 11 o 88.10534 37.96973 335.4065       356.1957 335.4065       356.1957 0.000000       0.000000 88.10534 37.96973 ?        ?        0.000000       37.96973 
1 1 1 16  41 12 o 82.45866 37.87656 203.3237       418.2339 203.3237       418.2339 0.000000       0.000000 82.45866 37.87656 ?        ?        0.000000       37.87656 
1 1 1 16  41 13 o 115.0897 44.09939 776.6835       416.5207 776.6835       416.5207 0.000000       0.000000 115.0897 44.09939 ?        ?        0.000000       44.09939 
1 1 1 16  41 14 o 122.9649 40.49080 770.7588       338.2710 770.7588       338.2710 0.000000       0.000000 122.9649 40.49080 ?        ?        0.000000       40.49080 
1 1 1 16  42 0  o 72.79102 31.05132 158.0530       233.7539 178.0124       381.1087 146.0159       295.9625 79.82808 36.47603 74.96043 33.37466 4.867645       49.44056 
1 1 1 16  42 1  o 101.2654 28.83403 405.6606       179.4596 114.0930       405.3452 476.7448       200.1438 77.98898 36.33133 108.5382 30.29358 -30.54927      47.30399 
1 1 1 16  42 2  o 57.17572 25.72024 6.456749       180.7152 -273.4150      403.5464 76.66128       202.1140 65.38670 31.93913 64.49105 28.18885 0.8956451      42.59953 
1 1 1 16  42 3  o 40.71686 20.14120 -314.8576      177.7195 435.1033       396.5999 -503.2868      198.7959 93.20971 40.11640 38.49411 19.37509 54.71560       44.55019 
1 1 1 16  42 4  o 69.32315 29.32404 133.6731       205.4866 -617.7161      455.5776 325.5799       230.2369 61.38108 30.66898 87.85105 32.98746 -26.46997      45.04174 
1 1 1 16  42 5  o 80.95756 29.34450 254.5871       179.4559 610.1783       467.8979 193.2581       194.3160 101.0537 43.53368 74.27577 29.62580 26.77796       52.65804 
1 1 1 16  42 6  o 80.02787 29.76199 247.5761       186.5051 86.79240       475.9822 276.7390       202.7149 79.49434 37.74545 83.17587 31.00978 -3.681534      48.85003 
1 1 1 16  42 7  o 91.72478 27.72822 327.3004       161.7720 -132.2206      462.0186 391.5093       172.7048 72.52592 35.13881 100.0416 28.21898 -27.51570      45.06714 
1 1 1 16  42 8  o 82.61073 24.64021 252.0983       128.3833 450.0796       429.4570 232.6690       134.5355 93.59538 40.99583 79.10574 25.50058 14.48964       48.27979 
1 1 1 16  42 9  o 68.52286 29.36052 120.7184       210.6727 -516.9374      453.9184 295.7849       237.8407 63.10748 31.38360 84.66489 33.08239 -21.55742      45.60017 
1 1 1 16  42 10 o 64.06757 26.18638 115.8146       155.9936 -193.0864      437.2957 160.8541       166.9792 69.31612 33.72244 69.60645 27.56008 -0.2903366     43.55182 
1 1 1 16  42 11 o 111.4039 45.67199 826.4106       476.3175 826.4106       476.3175 0.000000       0.000000 111.4039 45.67199 ?        ?        0.000000       45.67199 
1 1 1 16  43 0  o 108.1601 31.01412 485.6451       206.9125 931.9014       476.4946 381.9430       229.6992 117.7650 46.57895 93.17429 33.27113 24.59069       57.24131 
1 1 1 16  43 1  o 96.08237 30.63728 383.6717       194.5803 701.2323       484.5172 322.6072       212.4664 103.6708 44.47533 87.46229 31.89603 16.20850       54.73036 
1 1 1 16  43 2  o 111.5381 28.59810 490.0518       187.9406 1301.886       483.5657 345.6019       203.9767 143.8835 48.43902 90.53474 31.43386 53.34871       57.74449 
1 1 1 16  43 3  o 83.46677 30.18006 281.8069       189.6716 886.3809       477.0618 168.2981       206.7116 114.6651 46.18474 71.87888 29.83768 42.78621       54.98470 
1 1 1 16  43 4  o 55.43221 25.80237 -59.07089      203.7958 -657.2046      465.8166 82.51815       226.6369 60.78933 30.46680 66.36270 29.39480 -5.573368      42.33533 
1 1 1 16  43 5  o 70.70655 29.11979 162.5931       194.7736 -169.8696      452.9311 238.0226       215.7403 70.18913 34.18601 78.42062 31.23702 -8.231483      46.30804 
1 1 1 17  0  0  o 145.8652 50.61871 822.1304       390.7526 822.1304       390.7526 822.1304       390.7526 145.8652 50.61871 145.8652 50.61871 0.000000       0.000000 
1 1 1 17  0  1  o 329.8588 24.68226 3255.642       471.1982 3255.642       471.1982 3255.642       471.1982 329.8588 24.68226 329.8588 24.68226 0.000000       0.000000 
1 1 1 17  0  2  o 58.99181 39.25442 -106.2711      365.0596 -106.2711      365.0596 -106.2711      365.0596 58.99181 39.25442 58.99181 39.25442 0.000000       0.000000 
1 1 1 17  0  3  o 84.39006 49.23728 255.8259       404.3132 255.8259       404.3132 255.8259       404.3132 84.39006 49.23728 84.39006 49.23728 0.000000       0.000000 
1 1 1 17  0  4  o 528.3408 22.84148 8258.661       704.7477 8258.661       704.7477 8258.661       704.7477 528.3408 22.84148 528.3408 22.84148 0.000000       0.000000 
1 1 1 17  0  5  o 227.6978 31.92479 1616.611       402.2963 1616.611       402.2963 1616.611       402.2963 227.6978 31.92479 227.6978 31.92479 0.000000       0.000000 
1 1 1 17  0  6  o 218.2072 33.69730 1501.915       400.6614 1501.915       400.6614 1501.915       400.6614 218.2072 33.69730 218.2072 33.69730 0.000000       0.000000 
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 o 147.1274 42.89967 785.9412       321.3578 785.9412       321.3578 785.9412       321.3578 147.1274 42.89967 147.1274 42.89967 0.000000       0.000000 
1 1 1 17  0  13 o 372.4600 18.75801 4114.859       407.3649 4114.859       407.3649 4114.859       407.3649 372.4600 18.75801 372.4600 18.75801 0.000000       0.000000 
1 1 1 17  0  14 o 744.4852 19.91491 16367.58       868.1243 16367.58       868.1243 16367.58       868.1243 744.4852 19.91491 744.4852 19.91491 0.000000       0.000000 
1 1 1 17  0  15 o 240.1363 21.46006 1741.321       296.4167 1741.321       296.4167 1741.321       296.4167 240.1363 21.46006 240.1363 21.46006 0.000000       0.000000 
1 1 1 17  0  16 o 81.48059 42.64894 291.3516       267.7943 291.3516       267.7943 291.3516       267.7943 81.48059 42.64894 81.48059 42.64894 0.000000       0.000000 
1 1 1 17  0  17 o 64.36411 38.69261 129.6848       263.5505 129.6848       263.5505 129.6848       263.5505 64.36411 38.69261 64.36411 38.69261 0.000000       0.000000 
1 1 1 17  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0  20 o 41.72898 27.73657 -48.52011      181.4109 -48.52011      181.4109 -48.52011      181.4109 41.72898 27.73657 41.72898 27.73657 0.000000       0.000000 
1 1 1 17  0  21 o 250.8097 15.90926 1876.515       231.8301 1876.515       231.8301 1876.515       231.8301 250.8097 15.90926 250.8097 15.90926 0.000000       0.000000 
1 1 1 17  0  22 o 44.78422 29.43986 -29.47842      195.5356 -29.47842      195.5356 -29.47842      195.5356 44.78422 29.43986 44.78422 29.43986 0.000000       0.000000 
1 1 1 17  0  23 o 181.1449 19.05304 1001.028       196.8043 1001.028       196.8043 1001.028       196.8043 181.1449 19.05304 181.1449 19.05304 0.000000       0.000000 
1 1 1 17  0  24 o 42.81179 28.60461 -62.82974      197.2924 -62.82974      197.2924 -62.82974      197.2924 42.81179 28.60461 42.81179 28.60461 0.000000       0.000000 
1 1 1 17  0  25 o 260.9615 16.88573 2033.976       255.9174 2033.976       255.9174 2033.976       255.9174 260.9615 16.88573 260.9615 16.88573 0.000000       0.000000 
1 1 1 17  0  26 f 79.22771 40.04059 280.1771       230.7876 280.1771       230.7876 280.1771       230.7876 79.22771 40.04059 79.22771 40.04059 0.000000       0.000000 
1 1 1 17  0  27 o 419.6288 13.99328 5204.475       343.5093 5204.475       343.5093 5204.475       343.5093 419.6288 13.99328 419.6288 13.99328 0.000000       0.000000 
1 1 1 17  0  28 o 49.36739 31.72887 12.07470       209.9351 12.07470       209.9351 12.07470       209.9351 49.36739 31.72887 49.36739 31.72887 0.000000       0.000000 
1 1 1 17  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  0  30 o 245.3765 16.04649 1802.439       228.6239 1802.439       228.6239 1802.439       228.6239 245.3765 16.04649 245.3765 16.04649 0.000000       0.000000 
1 1 1 17  0  31 o 281.8517 14.34251 2364.040       235.6726 2364.040       235.6726 2364.040       235.6726 281.8517 14.34251 281.8517 14.34251 0.000000       0.000000 
1 1 1 17  0  32 o 73.74253 37.38603 246.9084       201.5507 246.9084       201.5507 246.9084       201.5507 73.74253 37.38603 73.74253 37.38603 0.000000       0.000000 
1 1 1 17  0  33 o 134.5746 28.73412 612.5888       199.2397 612.5888       199.2397 612.5888       199.2397 134.5746 28.73412 134.5746 28.73412 0.000000       0.000000 
1 1 1 17  0  34 o 371.7885 12.90967 4101.542       280.7188 4101.542       280.7188 4101.542       280.7188 371.7885 12.90967 371.7885 12.90967 0.000000       0.000000 
1 1 1 17  0  35 o 145.4102 25.61567 695.0353       198.2068 695.0353       198.2068 695.0353       198.2068 145.4102 25.61567 145.4102 25.61567 0.000000       0.000000 
1 1 1 17  0  36 o 85.89999 35.24120 321.2055       175.2320 321.2055       175.2320 321.2055       175.2320 85.89999 35.24120 85.89999 35.24120 0.000000       0.000000 
1 1 1 17  0  37 o 79.52821 36.17746 291.7625       182.6923 291.7625       182.6923 291.7625       182.6923 79.52821 36.17746 79.52821 36.17746 0.000000       0.000000 
1 1 1 17  0  38 o 59.21442 32.69810 161.2503       165.4044 161.2503       165.4044 161.2503       165.4044 59.21442 32.69810 59.21442 32.69810 0.000000       0.000000 
1 1 1 17  0  39 o 91.40003 33.69623 350.5164       167.1650 350.5164       167.1650 350.5164       167.1650 91.40003 33.69623 91.40003 33.69623 0.000000       0.000000 
1 1 1 17  0  40 o 95.08002 33.21332 371.8281       167.5286 371.8281       167.5286 371.8281       167.5286 95.08002 33.21332 95.08002 33.21332 0.000000       0.000000 
1 1 1 17  0  41 o 23.84312 17.51476 -436.4371      165.6055 -436.4371      165.6055 -436.4371      165.6055 23.84312 17.51476 23.84312 17.51476 0.000000       0.000000 
1 1 1 17  0  42 o 46.22721 30.03632 23.91283       195.0875 23.91283       195.0875 23.91283       195.0875 46.22721 30.03632 46.22721 30.03632 0.000000       0.000000 
1 1 1 17  0  43 o 56.14830 33.81484 135.2312       202.0231 135.2312       202.0231 135.2312       202.0231 56.14830 33.81484 56.14830 33.81484 0.000000       0.000000 
1 1 1 17  0  44 o 41.59081 28.34499 -74.55747      213.1499 -74.55747      213.1499 -74.55747      213.1499 41.59081 28.34499 41.59081 28.34499 0.000000       0.000000 
1 1 1 17  0  45 o 81.10503 39.98394 346.8026       227.4199 346.8026       227.4199 346.8026       227.4199 81.10503 39.98394 81.10503 39.98394 0.000000       0.000000 
1 1 1 17  1  0  o 606.2014 16.97833 10822.76       603.0239 10919.45       849.7416 10724.66       855.9010 607.6221 23.89187 602.0839 24.28893 5.538208       34.07013 
1 1 1 17  1  1  o 261.1002 19.28309 2019.120       293.1967 1829.498       397.9869 2244.178       433.5815 247.0531 27.95888 274.0504 27.34125 -26.99733      39.10553 
1 1 1 17  1  2  o 319.9651 17.88878 3023.427       334.3499 3323.559       457.5846 2679.637       489.7354 334.7043 23.45949 299.5187 28.21191 35.18558       36.69141 
1 1 1 17  1  3  o 289.7350 18.36006 2481.937       310.3746 2302.748       421.1531 2694.945       459.1800 277.8303 26.15467 300.7212 26.30007 -22.89087      37.09124 
1 1 1 17  1  4  o 180.8444 27.26831 989.2371       280.2277 1199.504       385.5731 753.8231       407.9791 198.0082 34.45329 156.0583 43.13675 41.94991       55.20696 
1 1 1 17  1  5  o 356.5303 16.76306 3749.522       349.5283 3588.447       461.5172 3966.180       535.2543 347.8997 22.74423 365.4010 25.13001 -17.50131      33.89420 
1 1 1 17  1  6  o 473.4441 16.15328 6604.275       447.8611 6582.930       620.5137 6627.485       647.0626 471.6276 22.49861 473.0488 23.39588 -1.421204      32.45851 
1 1 1 17  1  7  o 193.0685 36.21447 1148.317       394.9976 1148.317       394.9976 0.000000       0.000000 193.0685 36.21447 ?        ?        0.000000       36.21447 
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 o 1347.962 33.08308 54498.03       2615.376 54498.03       2615.376 0.000000       0.000000 1347.962 33.08308 ?        ?        0.000000       33.08308 
1 1 1 17  1  13 f 467.9669 12.19995 6447.747       334.5439 5989.238       451.8592 7003.976       497.6872 450.1140 17.14846 486.7329 17.46303 -36.61893      24.47503 
1 1 1 17  1  14 o 575.2871 12.22618 9741.023       412.5018 9883.880       587.5728 9602.187       579.2476 578.1500 17.34851 569.8432 17.35260 8.306763       24.53740 
1 1 1 17  1  15 o 401.4692 11.66315 4747.848       274.3204 4656.560       383.1992 4843.805       392.8771 396.6858 16.50736 404.5770 16.59310 -7.891235      23.40564 
1 1 1 17  1  16 o 72.15707 29.13006 73.27662       190.2616 44.42861       276.8003 99.11312       261.9543 81.69476 34.26528 84.11591 34.10006 -2.421150      48.34174 
1 1 1 17  1  17 o 51.08842 24.07404 -200.9649      186.8149 48.66849       253.2681 -498.8677      276.6729 78.78036 32.89073 54.33041 26.51842 24.44995       42.24958 
1 1 1 17  1  18 o 256.7917 12.23105 1948.096       183.6729 1959.297       262.4690 1937.346       257.1191 256.5322 17.55132 255.1425 17.28512 1.389740       24.63380 
1 1 1 17  1  19 o 166.8907 16.00498 831.8950       154.7350 840.3582       212.1501 822.2755       226.1796 166.3486 22.30748 164.0187 24.24254 2.329971       32.94426 
1 1 1 17  1  20 o 608.6373 16.34192 10988.01       582.7991 10988.01       582.7991 0.000000       0.000000 608.6373 16.34192 ?        ?        0.000000       16.34192 
1 1 1 17  1  21 f 67.40826 25.11704 106.5721       132.9551 8.674897       177.3530 232.1823       200.8936 63.69920 27.10582 90.62314 31.20831 -26.92393      41.33623 
1 1 1 17  1  22 o 171.9341 14.90341 881.6526       148.7962 961.0341       208.2852 798.9157       212.6417 178.3493 20.27230 161.6725 23.08094 16.67679       30.71964 
1 1 1 17  1  23 o 97.84781 23.30408 298.6360       131.8092 243.7998       181.3974 359.9768       191.8546 90.72053 29.63871 107.0549 29.57710 -16.33442      41.87193 
1 1 1 17  1  24 o 311.6080 10.36241 2863.750       189.1104 2994.837       271.9973 2741.090       263.1090 317.7726 14.63407 303.9430 14.80476 13.82962       20.81675 
1 1 1 17  1  25 o 51.54673 23.51265 -96.37991      157.4724 -117.7063      212.3354 -70.31416      234.7463 60.34829 27.44024 67.06911 29.80044 -6.720818      40.50967 
1 1 1 17  1  26 o 240.5508 12.25518 1712.409       172.3231 1574.900       245.5794 1845.791       241.8663 229.3316 18.41365 248.8280 16.67011 -19.49637      24.83858 
1 1 1 17  1  27 o 339.4960 10.26523 3399.646       204.1525 3411.208       286.9865 3387.801       290.4757 339.1017 14.46371 337.8718 14.69424 1.229919       20.61843 
1 1 1 17  1  28 f 82.65298 26.32256 205.0042       143.6689 175.1257       200.3480 236.6329       206.1324 83.46889 30.88306 91.14486 31.60206 -7.675972      44.18658 
1 1 1 17  1  29 o 173.8362 14.15983 902.1226       143.1114 999.2999       216.9883 827.3087       190.3904 181.2562 20.78810 164.9220 20.09872 16.33421       28.91546 
1 1 1 17  1  30 o 289.7458 14.43706 2500.738       244.5548 0.000000       0.000000 2500.738       244.5548 ?        ?        289.7458 14.43706 0.000000       14.43706 
1 1 1 17  1  31 o 300.4775 9.455232 2666.646       166.4155 2543.190       239.0838 2782.674       231.7802 292.1858 13.99280 306.0022 12.94444 -13.81647      19.06193 
1 1 1 17  1  32 o 55.95202 24.14475 -4.659019      144.4014 -164.4086      213.4694 130.1068       196.0675 57.07872 26.51400 77.24323 30.07868 -20.16450      40.09637 
1 1 1 17  1  33 o 230.1433 12.32804 1577.693       165.7888 1737.743       264.8741 1474.603       212.5795 239.0612 19.04953 221.1080 16.51255 17.95322       25.21010 
1 1 1 17  1  34 o 37.97642 18.56092 -246.4519      136.8619 -335.4809      192.2117 -154.8957      194.9207 45.06408 22.01882 53.94320 25.15107 -8.879120      33.42760 
1 1 1 17  1  35 o 169.0938 14.46347 865.4436       142.0575 811.6213       197.6191 922.9943       204.3491 160.7487 21.50058 171.9785 20.67449 -11.22977      29.82800 
1 1 1 17  1  36 o 53.59275 22.92187 12.85286       127.9815 68.68900       182.6127 -41.04556      179.4161 67.46596 28.02849 57.83446 25.85163 9.631500       38.13008 
1 1 1 17  1  37 o 175.7331 13.14972 935.0148       134.5426 988.1564       191.2658 882.9636       189.2935 177.9694 18.59916 167.5736 19.63284 10.39586       27.04399 
1 1 1 17  1  38 o 58.75949 23.01546 77.87733       115.3454 76.47987       161.5330 79.33120       164.7609 64.80158 26.58515 65.50177 26.85838 -0.7001877     37.79078 
1 1 1 17  1  39 o 52.77292 22.35725 25.60626       119.7494 125.5029       171.6933 -69.01965      167.1025 70.61687 27.95076 52.90704 24.16667 17.70983       36.94959 
1 1 1 17  1  40 o 109.0854 19.03633 383.7041       117.3593 504.1833       173.2540 281.5488       159.5357 121.7290 25.10236 89.83620 27.61166 31.89278       37.31665 
1 1 1 17  1  41 o 76.80669 23.65786 198.7013       117.0410 196.4065       170.8301 200.7314       160.6780 77.84513 28.56667 77.97917 27.82900 -0.1340408     39.88118 
1 1 1 17  1  42 o 46.99493 21.60247 -65.67319      136.3900 -117.6587      193.9279 -14.79158      191.8578 53.27031 24.91919 59.38374 26.62441 -6.113422      36.46677 
1 1 1 17  1  43 o 129.5785 19.67357 550.0767       144.8161 506.6234       214.0378 586.7625       196.6651 115.5635 30.95904 128.3024 26.99270 -12.73892      41.07393 
1 1 1 17  1  44 o 180.6286 14.81525 1019.811       155.5665 962.3698       219.4218 1077.866       220.5912 168.7013 22.75729 180.0567 21.30157 -11.35539      31.17132 
1 1 1 17  1  45 o 95.80712 29.10330 347.1765       177.9147 401.1893       238.4800 279.3826       267.1773 99.21784 34.00854 86.81229 34.70116 12.40555       48.58757 
1 1 1 17  2  0  o 320.7534 14.29833 3030.575       268.2959 3459.549       442.6335 2781.436       337.3258 341.7202 22.20658 306.7314 18.84265 34.98883       29.12349 
1 1 1 17  2  1  o 493.3214 15.42155 7164.611       445.6303 7021.170       608.7860 7330.192       654.0820 487.4727 21.34607 497.9064 22.45708 -10.43372      30.98347 
1 1 1 17  2  2  o 151.0592 31.56257 702.1998       270.5950 711.4047       347.8158 688.0860       430.6887 151.4742 38.93967 150.3778 45.19567 1.096420       59.65691 
1 1 1 17  2  3  o 440.5407 15.43314 5715.333       398.1252 5642.693       528.5035 5810.636       605.3574 436.9895 20.68047 442.9940 23.38322 -6.004456      31.21629 
1 1 1 17  2  4  o 348.8519 16.16438 3588.389       329.8134 3469.856       436.8230 3745.557       502.9998 342.2385 21.87794 355.2211 24.29070 -12.98260      32.69070 
1 1 1 17  2  5  o 278.4059 18.07944 2292.350       293.6019 2201.873       377.2451 2431.346       467.5794 271.9576 23.89490 285.0539 28.34420 -13.09628      37.07236 
1 1 1 17  2  6  o 530.1294 21.92633 8310.601       680.2366 8310.601       680.2366 0.000000       0.000000 530.1294 21.92633 ?        ?        0.000000       21.92633 
1 1 1 17  2  7  o 477.7731 21.07980 6750.629       589.2076 6750.629       589.2076 0.000000       0.000000 477.7731 21.07980 ?        ?        0.000000       21.07980 
1 1 1 17  2  8  o 782.1617 27.66638 18178.80       1267.111 18178.80       1267.111 0.000000       0.000000 782.1617 27.66638 ?        ?        0.000000       27.66638 
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 o 557.0241 12.07295 9131.899       394.4008 9164.378       563.5824 9100.728       552.1278 556.6840 17.28322 554.8245 16.98812 1.859436       24.23440 
1 1 1 17  2  15 o 737.5624 19.68909 16133.88       850.9155 0.000000       0.000000 16133.88       850.9155 ?        ?        737.5624 19.68909 0.000000       19.68909 
1 1 1 17  2  16 o 98.81434 35.37571 258.5867       259.8491 0.000000       0.000000 258.5867       259.8491 ?        ?        98.81434 35.37571 0.000000       35.37571 
1 1 1 17  2  17 f 137.5822 22.96224 579.0121       178.7535 577.6813       253.1797 580.3347       252.4134 135.4541 32.32211 135.7860 32.18947 -0.3319244     45.61667 
1 1 1 17  2  18 o 295.1846 11.38428 2570.500       196.7138 2545.539       270.8941 2598.346       286.1207 292.9286 15.82716 295.7999 16.55914 -2.871277      22.90642 
1 1 1 17  2  19 o 380.9009 10.09573 4273.779       225.3290 4441.594       321.5985 4111.954       315.8070 387.4684 14.17620 372.7229 14.47477 14.74557       20.26039 
1 1 1 17  2  20 o 216.8687 12.63021 1392.747       159.9465 1200.176       218.6763 1614.298       234.5544 200.0113 18.86502 232.5884 17.31943 -32.57704      25.60960 
1 1 1 17  2  21 f 692.0821 12.68749 14141.68       514.9722 13441.65       677.9711 15096.41       791.7584 672.6093 17.20103 711.8286 18.98255 -39.21936      25.61664 
1 1 1 17  2  22 o 120.3697 20.66726 444.3560       140.6448 503.1009       189.7887 372.7970       209.4678 126.8629 26.37000 109.0012 31.18905 17.86167       40.84279 
1 1 1 17  2  23 o 479.1051 10.25130 6762.218       288.0449 6861.648       406.4093 6661.855       408.3113 481.3226 14.41340 474.1623 14.70073 7.160339       20.58780 
1 1 1 17  2  24 o 46.06010 21.67548 -158.0081      150.5380 -254.5533      209.1767 -54.28366      216.8145 52.35725 24.90655 65.28397 28.84171 -12.92671      38.10748 
1 1 1 17  2  25 o 200.4562 14.69102 1195.442       171.5123 1272.035       241.4611 1117.446       243.6640 205.5156 20.29804 192.0369 22.03359 13.47871       29.95813 
1 1 1 17  2  26 o 71.82675 30.35032 26.34434       219.7310 26.34434       219.7310 0.000000       0.000000 71.82675 30.35032 ?        ?        0.000000       30.35032 
1 1 1 17  2  27 o 271.9329 11.32878 2185.330       180.2782 2297.393       266.1194 2090.285       245.0817 277.6679 16.41506 264.9594 15.84417 12.70859       22.81429 
1 1 1 17  2  28 o 163.2976 16.68301 801.1490       157.5310 1125.798       239.2850 552.8085       209.2823 192.5063 21.56453 132.3777 27.84092 60.12860       35.21570 
1 1 1 17  2  29 o 184.6969 14.10266 1017.599       151.6054 899.9137       238.2440 1097.682       196.5317 170.6711 24.50366 190.9505 17.75269 -20.27948      30.25867 
1 1 1 17  2  30 o 167.9754 15.62522 847.3278       152.1646 803.4033       242.0365 876.0351       195.6696 160.0038 26.73555 169.5634 20.06448 -9.559647      33.42713 
1 1 1 17  2  31 o 149.8116 17.70110 681.2075       152.5234 757.7227       243.8448 632.0319       195.4854 154.5645 27.92765 142.1417 24.32386 12.42282       37.03517 
1 1 1 17  2  32 o 61.80363 24.87005 61.49023       138.1955 -141.5937      208.0396 221.8750       184.8799 57.43856 26.50298 86.87802 29.93782 -29.43946      39.98351 
1 1 1 17  2  33 o 291.5132 10.23584 2517.466       174.7261 2528.725       255.7281 2507.607       239.2903 290.4602 15.06356 289.6175 14.13067 0.8427124      20.65397 
1 1 1 17  2  34 o 152.3295 16.49843 706.6155       145.0430 888.9282       223.4991 573.9687       190.6407 168.2301 23.27567 133.8320 25.21344 34.39806       34.31434 
1 1 1 17  2  35 o 281.2576 9.565582 2348.240       157.5556 2440.116       221.4411 2254.044       224.2193 285.1203 13.27927 273.6494 14.01773 11.47089       19.30895 
1 1 1 17  2  36 o 43.66336 20.38052 -105.5856      128.5592 -150.9072      186.0349 -64.15913      177.8609 51.89699 24.31870 55.90786 25.29896 -4.010868      35.09184 
1 1 1 17  2  37 o 88.93642 23.76435 261.5510       126.3163 448.2334       180.1760 81.10881       177.1391 115.1164 27.13405 67.52340 27.78556 47.59302       38.83677 
1 1 1 17  2  38 o 42.35214 19.76980 -96.93011      121.0023 -4.448164      180.4772 -172.4485      163.0873 60.13966 26.45148 46.21043 21.98522 13.92923       34.39521 
1 1 1 17  2  39 o 52.89304 22.55383 21.21457       123.2310 12.77889       180.2957 28.61055       168.8198 61.01846 26.64843 60.73913 26.15767 0.2793312      37.34116 
1 1 1 17  2  40 o 46.98368 20.83074 -18.32346      114.0803 119.3234       169.4607 -132.4050      154.2742 69.25974 27.65254 46.36682 21.85770 22.89292       35.24801 
1 1 1 17  2  41 o 48.99346 21.32226 2.788313       114.5707 -44.80436      169.0582 43.21240       155.8067 54.35069 24.62260 59.60173 25.38560 -5.251041      35.36525 
1 1 1 17  2  42 o 46.05038 21.12862 -61.06480      129.6354 -1.148763      195.8409 -107.7928      172.9499 60.85007 27.11697 50.57420 23.61696 10.27587       35.95957 
1 1 1 17  2  43 o 53.35005 23.33232 9.606244       138.6419 -37.01155      209.0894 46.18518       185.2131 59.76795 27.19716 62.80463 27.22318 -3.036682      38.48100 
1 1 1 17  2  44 o 127.2708 20.90234 540.7136       150.6063 641.1210       221.0908 453.7837       205.7181 131.3903 29.42476 108.6190 30.85286 22.77132       42.63467 
1 1 1 17  2  45 o 58.54982 25.73723 22.50992       170.6337 176.4494       227.4447 -175.6787      258.0716 76.56837 31.49373 57.98428 27.60638 18.58408       41.88040 
1 1 1 17  3  0  o 255.9827 15.84129 1934.906       236.6565 2388.672       372.1095 1626.707       306.6689 283.6200 22.55658 233.6976 22.65911 49.92241       31.97240 
1 1 1 17  3  1  o 619.5421 16.64188 11303.07       604.1299 11233.99       834.3041 11379.23       875.9541 616.4385 23.11821 620.1924 24.12869 -3.753845      33.41625 
1 1 1 17  3  2  o 201.5278 22.92634 1214.087       266.1577 1270.308       330.7070 1110.714       448.4339 205.2301 28.22244 189.0020 41.58681 16.22816       50.25902 
1 1 1 17  3  3  o 76.95110 32.19132 32.85677       243.3363 -171.0121      299.7008 427.2501       416.8474 72.14684 32.72421 126.8922 44.87025 -54.74532      55.53569 
1 1 1 17  3  4  o 561.7035 15.96646 9290.627       525.4429 8935.729       700.4398 9747.374       794.6150 549.8759 21.76277 573.9460 23.65741 -24.07013      32.14485 
1 1 1 17  3  5  o 91.98792 37.38980 105.0134       315.9025 105.0134       315.9025 0.000000       0.000000 91.98792 37.38980 ?        ?        0.000000       37.38980 
1 1 1 17  3  6  o 538.1974 21.57512 8564.086       679.6172 8564.086       679.6172 0.000000       0.000000 538.1974 21.57512 ?        ?        0.000000       21.57512 
1 1 1 17  3  7  o 518.0566 21.85961 7940.944       662.6636 7940.944       662.6636 0.000000       0.000000 518.0566 21.85961 ?        ?        0.000000       21.85961 
1 1 1 17  3  8  o 188.3158 31.71997 1084.265       337.8875 1084.265       337.8875 0.000000       0.000000 188.3158 31.71997 ?        ?        0.000000       31.71997 
1 1 1 17  3  9  f 417.4348 21.71475 5165.062       529.7834 5165.062       529.7834 0.000000       0.000000 417.4348 21.71475 ?        ?        0.000000       21.71475 
1 1 1 17  3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3  11 o 292.0977 22.17352 2540.541       377.0134 2540.541       377.0134 0.000000       0.000000 292.0977 22.17352 ?        ?        0.000000       22.17352 
1 1 1 17  3  12 o 472.8464 17.38037 6607.623       481.1604 6607.623       481.1604 0.000000       0.000000 472.8464 17.38037 ?        ?        0.000000       17.38037 
1 1 1 17  3  13 o 239.6018 16.53193 1702.127       230.8839 1498.729       319.3878 1924.764       334.1505 223.1541 24.82377 253.6957 22.69794 -30.54166      33.63652 
1 1 1 17  3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  3  15 o 436.5811 16.24974 5638.311       415.3396 0.000000       0.000000 5638.311       415.3396 ?        ?        436.5811 16.24974 0.000000       16.24974 
1 1 1 17  3  16 o 170.6441 20.13769 876.0247       197.6581 785.7374       280.9904 964.4600       278.0936 158.7578 31.29208 177.3307 27.64051 -18.57291      41.75155 
1 1 1 17  3  17 o 233.6347 15.48256 1620.254       210.9472 1700.407       295.9521 1537.478       300.7547 238.0838 21.42428 225.8960 23.02289 12.18773       31.44922 
1 1 1 17  3  18 o 507.3619 10.91111 7580.427       324.6663 7562.717       462.5107 7597.631       455.8566 505.4153 15.62229 506.6623 15.35893 -1.247009      21.90782 
1 1 1 17  3  19 o 172.8359 15.61533 891.1082       156.5779 913.2805       216.7696 866.9191       226.4142 173.6357 21.76350 168.6503 23.53084 4.985443       32.05231 
1 1 1 17  3  20 o 452.9911 10.06038 6042.347       267.2726 6024.038       374.9586 6061.259       381.0768 451.1625 14.18862 452.4999 14.37789 -1.337402      20.20001 
1 1 1 17  3  21 o 340.7149 10.17987 3422.198       203.1873 3185.508       279.8361 3686.136       295.5042 327.7884 14.59317 352.7231 14.31471 -24.93469      20.44191 
1 1 1 17  3  22 f 406.4240 10.17938 4868.813       242.4429 5139.552       347.2563 4611.347       338.6382 416.5614 14.23505 394.4284 14.66473 22.13303       20.43749 
1 1 1 17  3  23 o 279.5226 15.55517 2322.461       253.9954 2322.461       253.9954 0.000000       0.000000 279.5226 15.55517 ?        ?        0.000000       15.55517 
1 1 1 17  3  24 o 379.2073 10.75701 4241.250       238.9900 4851.996       354.8123 3734.042       323.3415 404.5354 14.98106 354.6483 15.58385 49.88708       21.61685 
1 1 1 17  3  25 o 217.4509 20.18911 1422.333       254.5309 1422.333       254.5309 0.000000       0.000000 217.4509 20.18911 ?        ?        0.000000       20.18911 
1 1 1 17  3  26 o 161.5453 17.60527 784.5778       164.1010 672.4538       228.6165 903.7504       235.6931 146.7923 27.56751 171.8276 24.04598 -25.03532      36.58110 
1 1 1 17  3  27 o 43.13111 20.59956 -191.5351      146.0614 43.73394       212.6818 -401.5472      200.9417 72.13352 30.12985 44.83657 22.03189 27.29696       37.32576 
1 1 1 17  3  28 o 151.6363 17.09612 692.8487       149.3906 826.3617       242.5489 611.2413       189.6279 163.1112 26.24535 140.5105 23.86412 22.60074       35.47273 
1 1 1 17  3  29 o 283.8451 10.38108 2380.765       172.5211 2731.148       282.5208 2172.419       217.8568 302.5003 15.98150 270.3251 13.78703 32.17517       21.10665 
1 1 1 17  3  30 o 159.6177 16.04852 766.8882       148.1967 796.0923       213.7589 739.8604       205.6404 160.4277 23.40870 154.5498 23.42067 5.877914       33.11337 
1 1 1 17  3  31 o 123.2436 19.62169 467.7726       137.0740 369.8220       210.0944 540.3722       180.8746 107.3018 31.39668 131.1488 24.41414 -23.84705      39.77187 
1 1 1 17  3  32 o 29.77754 15.09153 -471.6409      133.5240 -575.7524      215.0400 -406.3139      170.3398 41.69742 20.86934 38.79185 19.28030 2.905567       28.41231 
1 1 1 17  3  33 o 194.1059 16.55613 1138.830       186.6752 552.4650       490.4407 1238.174       201.8702 129.7353 48.25971 202.2220 17.18391 -72.48666      51.22779 
1 1 1 17  3  34 o 51.06743 22.45657 -22.52922      130.0180 -269.3621      191.9924 186.5582       176.7041 47.69036 22.99438 80.87041 29.14488 -33.18005      37.12365 
1 1 1 17  3  35 o 102.8527 22.84625 341.5608       134.2261 282.7470       201.2355 388.6993       180.1576 93.42235 31.24563 107.9557 28.16393 -14.53333      42.06538 
1 1 1 17  3  36 o 57.63784 23.47301 54.51738       124.7896 -5.957894      181.2641 109.0033       172.0541 60.75645 26.62239 70.17601 27.91443 -9.419563      38.57418 
1 1 1 17  3  37 f 143.5370 16.64950 638.0794       137.5602 460.4908       203.0238 788.8016       187.0372 115.2732 29.81056 157.6205 20.73563 -42.34731      36.31302 
1 1 1 17  3  38 o 115.8519 19.52257 428.6535       127.9343 363.3441       195.4390 477.6213       169.2306 101.7834 30.41177 119.5988 24.93589 -17.81548      39.32778 
1 1 1 17  3  39 o 37.06185 17.91336 -169.2973      118.2638 150.0557       175.9536 -432.4498      159.7226 73.61113 28.54155 35.21227 17.67491 38.39886       33.57115 
1 1 1 17  3  40 o 119.5086 17.48149 453.0910       118.9022 474.3088       172.1022 433.7148       164.4638 117.5558 25.68267 112.3716 25.53707 5.184250       36.21797 
1 1 1 17  3  41 o 52.02767 22.32848 19.03974       122.2056 164.0058       187.1013 -88.81606      161.3858 74.98293 29.32964 50.08544 23.19210 24.89750       37.39119 
1 1 1 17  3  42 o 53.65643 22.87403 29.97836       126.7030 49.30224       199.1724 16.84241       164.2150 64.99918 28.20214 58.01756 25.38295 6.981628       37.94278 
1 1 1 17  3  43 o 190.1391 12.83311 1110.046       142.2665 984.2004       215.4903 1207.277       189.4132 171.9274 21.86532 195.3640 16.69135 -23.43658      27.50806 
1 1 1 17  3  44 o 91.96533 26.36547 306.2990       149.5471 258.2909       213.8750 352.2251       209.1860 84.34210 31.76717 95.20482 31.85713 -10.86272      44.98922 
1 1 1 17  3  45 o 47.58137 22.34191 -108.1890      158.3950 -22.81158      216.1721 -207.1674      232.7547 60.87932 27.68379 53.58641 25.70288 7.292912       37.77605 
1 1 1 17  4  0  o 570.8389 13.27790 9577.106       444.5222 11211.73       808.9400 8869.986       532.0523 615.9420 22.43117 548.7698 16.55046 67.17212       27.87607 
1 1 1 17  4  1  o 400.5348 12.47063 4718.378       292.5833 5154.790       477.4566 4455.951       370.2454 417.7896 19.54027 388.8131 16.27269 28.97653       25.42878 
1 1 1 17  4  2  o 272.1731 17.46920 2189.776       277.3764 2401.526       359.3938 1877.834       436.2101 284.4907 21.70415 249.7825 30.40265 34.70824       37.35493 
1 1 1 17  4  3  o 402.2454 15.20773 4765.910       358.1156 4575.498       453.8847 5079.931       582.8785 393.5102 19.72998 413.9381 24.11442 -20.42792      31.15730 
1 1 1 17  4  4  o 310.3187 16.63770 2842.525       301.6900 2719.274       377.7386 3059.632       501.3430 302.8335 21.40646 320.3381 26.93477 -17.50464      34.40520 
1 1 1 17  4  5  o 108.7448 38.79556 306.0838       312.2405 306.0838       312.2405 0.000000       0.000000 108.7448 38.79556 ?        ?        0.000000       38.79556 
1 1 1 17  4  6  f 574.9683 22.17581 9779.089       746.3782 9779.089       746.3782 0.000000       0.000000 574.9683 22.17581 ?        ?        0.000000       22.17581 
1 1 1 17  4  7  o 427.9653 20.88418 5420.188       522.5924 5420.188       522.5924 0.000000       0.000000 427.9653 20.88418 ?        ?        0.000000       20.88418 
1 1 1 17  4  8  o 485.9874 20.84313 6988.685       592.6902 6988.685       592.6902 0.000000       0.000000 485.9874 20.84313 ?        ?        0.000000       20.84313 
1 1 1 17  4  9  o 336.6156 22.28050 3366.334       437.3800 3366.334       437.3800 0.000000       0.000000 336.6156 22.28050 ?        ?        0.000000       22.28050 
1 1 1 17  4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  4  11 o 624.2631 18.56988 11518.30       679.1164 11518.30       679.1164 0.000000       0.000000 624.2631 18.56988 ?        ?        0.000000       18.56988 
1 1 1 17  4  12 o 689.5456 19.52152 14071.08       788.6602 14071.08       788.6602 0.000000       0.000000 689.5456 19.52152 ?        ?        0.000000       19.52152 
1 1 1 17  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  4  14 f 416.2684 11.69000 5103.489       285.1072 5201.953       423.8869 5022.145       385.2776 419.1911 17.27904 412.1557 15.96925 7.035370       23.52832 
1 1 1 17  4  15 o 223.6738 16.70600 1486.899       217.5654 1046.281       308.9595 1920.315       306.4241 184.4539 29.55819 253.5082 20.79267 -69.05434      36.13892 
1 1 1 17  4  16 o 82.17856 30.58302 159.9302       197.0023 -243.4733      282.7448 540.5350       274.6388 65.29454 30.39270 130.9773 35.06036 -65.68280      46.39984 
1 1 1 17  4  17 o 225.0331 15.06070 1502.835       197.6217 1574.730       287.4205 1438.370       272.1619 228.9590 21.66231 218.7767 21.48868 10.18225       30.51260 
1 1 1 17  4  18 o 230.8579 13.87334 1579.245       186.9682 1607.208       254.2720 1546.331       275.8730 231.8912 18.85933 226.9211 20.96623 4.970078       28.20031 
1 1 1 17  4  19 o 229.5323 12.89411 1559.726       172.8766 1528.132       248.3270 1589.437       240.8149 225.9568 18.91241 230.7044 17.93913 -4.747650      26.06705 
1 1 1 17  4  20 o 154.0712 17.33572 713.2969       153.9287 757.8904       214.1227 665.6044       221.4377 157.2375 23.97715 146.3903 26.77872 10.84717       35.94445 
1 1 1 17  4  21 o 201.9202 13.43332 1210.085       158.1747 1268.168       224.3078 1152.634       223.0829 205.5762 18.81297 195.6889 19.70597 9.887329       27.24432 
1 1 1 17  4  22 o 167.8234 16.39394 843.3163       159.3012 985.4647       218.3150 681.4426       232.9704 180.4257 21.02520 147.7170 27.91441 32.70872       34.94672 
1 1 1 17  4  23 o 298.2671 11.29611 2627.059       197.2420 2994.882       285.1815 2289.751       273.0956 317.5792 15.35705 277.2136 16.87767 40.36560       22.81874 
1 1 1 17  4  24 o 153.7019 28.20551 736.8632       244.8849 736.8632       244.8849 0.000000       0.000000 153.7019 28.20551 ?        ?        0.000000       28.20551 
1 1 1 17  4  25 o 266.2964 13.00003 2099.524       202.4164 2235.994       283.8700 1958.359       288.7116 273.7198 17.77947 255.6552 19.40052 18.06465       26.31520 
1 1 1 17  4  26 o 75.63879 27.74072 142.7858       161.0571 31.00665       223.4388 263.6705       232.3615 72.72385 30.66082 96.47495 33.54668 -23.75109      45.44740 
1 1 1 17  4  27 o 421.5536 9.214533 5232.656       227.8120 5354.325       366.9087 5156.324       290.6161 424.8120 14.74925 417.7336 11.87437 7.078400       18.93518 
1 1 1 17  4  28 o 288.3368 9.942472 2453.637       167.8784 2648.306       274.5481 2337.384       212.1641 298.1539 15.75694 280.7931 12.91815 17.36084       20.37547 
1 1 1 17  4  29 o 369.8236 13.69553 4061.331       296.5332 0.000000       0.000000 4061.331       296.5332 ?        ?        369.8236 13.69553 0.000000       13.69553 
1 1 1 17  4  30 o 285.1205 10.46350 2404.246       174.6701 2338.651       249.3654 2467.431       244.7412 279.8659 15.25035 287.7174 14.55133 -7.851532      21.07877 
1 1 1 17  4  31 o 74.06469 25.48874 156.3732       133.9980 314.0966       212.0569 51.53371       172.8888 100.1246 31.98982 66.28091 27.37981 33.84367       42.10704 
1 1 1 17  4  32 o 37.97411 18.46356 -220.5009      130.5637 -174.5070      207.3103 -250.7373      168.0879 55.42687 25.87437 44.37745 21.42634 11.04942       33.59422 
1 1 1 17  4  33 o 128.0603 19.09840 506.1537       139.0583 448.0278       219.2237 545.2875       179.8781 116.5258 31.38251 131.1717 24.27620 -14.64593      39.67613 
1 1 1 17  4  34 o 219.9125 15.07352 1458.498       193.2328 809.2173       518.8268 1563.066       208.2125 145.9718 50.15756 227.4268 15.70690 -81.45505      52.55937 
1 1 1 17  4  35 o 157.6773 14.48201 754.1745       132.4263 752.9451       199.7536 755.1385       176.8833 153.9124 22.81958 155.5780 19.83653 -1.665619      30.23609 
1 1 1 17  4  36 o 69.04153 25.15597 134.4708       132.1176 97.30335       204.9563 160.8947       172.8139 72.65852 29.89203 76.07501 28.57636 -3.416496      41.35386 
1 1 1 17  4  37 o 136.5393 16.62299 578.1699       130.3721 445.9545       186.9494 703.3425       181.9021 114.2220 28.10307 148.2279 21.55584 -34.00587      35.41802 
1 1 1 17  4  38 o 33.34600 16.52202 -265.7510      121.3924 -290.5437      176.2437 -243.3724      167.4436 43.12767 21.07518 43.52230 21.10248 -0.3946304     29.82412 
1 1 1 17  4  39 o 87.94749 23.32658 260.0849       122.2715 201.3481       192.9323 299.5116       158.0684 80.42222 30.19721 92.92789 27.24491 -12.50568      40.67133 
1 1 1 17  4  40 o 44.01583 20.28417 -70.23660      121.3197 -107.0807      183.1268 -41.41745      161.9602 52.76981 24.52778 53.68585 24.23189 -0.9160385     34.47894 
1 1 1 17  4  41 o 69.30762 24.11571 153.5273       120.0884 228.4982       180.6795 94.19991       160.7274 82.00173 29.48129 65.20013 26.60676 16.80161       39.71230 
1 1 1 17  4  42 o 63.74852 24.14682 116.2582       123.9740 38.19431       197.3367 167.1575       159.3450 63.89002 27.89139 72.99126 27.43546 -9.101234      39.12332 
1 1 1 17  4  43 o 63.82061 24.78920 112.7244       132.9093 362.7128       205.6846 -66.48792      174.1509 97.31993 31.54399 53.04002 24.39192 44.27991       39.87467 
1 1 1 17  4  44 o 147.7687 17.08741 699.0255       145.3590 676.1608       210.0932 720.0213       201.3245 137.1966 27.07246 143.8122 24.76325 -6.615570      36.68973 
1 1 1 17  4  45 o 152.4981 16.81583 743.6915       147.9009 559.7165       210.4096 923.3720       207.9392 121.6732 29.74091 165.5431 21.95885 -43.86993      36.96908 
1 1 1 17  5  0  o 618.8637 16.35583 11278.34       593.1130 11547.43       839.0643 11009.60       838.5128 624.9441 22.93193 610.0754 23.47940 14.86865       32.82005 
1 1 1 17  5  1  o 681.9551 14.39817 13675.00       575.8558 14540.76       1015.143 13264.22       699.2489 700.9095 24.73409 670.9172 17.78671 29.99225       30.46543 
1 1 1 17  5  2  o 253.4445 14.86026 1895.621       219.9126 2021.860       322.2145 1785.540       300.8866 260.9438 21.23811 245.1308 21.13549 15.81302       29.96275 
1 1 1 17  5  3  o 377.9540 15.13550 4208.772       334.8167 4206.532       429.7851 4212.231       534.0120 377.2680 19.49063 376.7126 24.30039 0.5553589      31.15114 
1 1 1 17  5  4  o 303.9325 21.52469 2739.962       381.1938 2739.962       381.1938 0.000000       0.000000 303.9325 21.52469 ?        ?        0.000000       21.52469 
1 1 1 17  5  5  o 421.1724 19.31724 5241.098       475.8800 5241.098       475.8800 0.000000       0.000000 421.1724 19.31724 ?        ?        0.000000       19.31724 
1 1 1 17  5  6  o 707.3997 25.14538 14836.11       1041.555 14836.11       1041.555 0.000000       0.000000 707.3997 25.14538 ?        ?        0.000000       25.14538 
1 1 1 17  5  7  o 505.6985 21.37240 7568.293       632.4339 7568.293       632.4339 0.000000       0.000000 505.6985 21.37240 ?        ?        0.000000       21.37240 
1 1 1 17  5  8  o 366.1548 20.32557 3971.609       434.7608 3971.609       434.7608 0.000000       0.000000 366.1548 20.32557 ?        ?        0.000000       20.32557 
1 1 1 17  5  9  o 185.9315 33.69217 1064.983       353.8703 1064.983       353.8703 0.000000       0.000000 185.9315 33.69217 ?        ?        0.000000       33.69217 
1 1 1 17  5  10 o 212.3172 27.74966 1363.585       337.2745 1363.585       337.2745 0.000000       0.000000 212.3172 27.74966 ?        ?        0.000000       27.74966 
1 1 1 17  5  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  5  13 o 805.7697 21.26694 19267.13       1004.122 19267.13       1004.122 0.000000       0.000000 805.7697 21.26694 ?        ?        0.000000       21.26694 
1 1 1 17  5  14 o 268.5407 14.84002 2133.707       232.8108 1931.602       334.7911 2322.951       323.9642 253.9043 22.72291 279.2661 19.91070 -25.36177      30.21203 
1 1 1 17  5  15 o 333.2782 12.64424 3277.235       246.6958 2849.731       349.7782 3700.378       347.9898 309.4332 19.37133 353.3555 16.84053 -43.92227      25.66812 
1 1 1 17  5  16 o 87.99615 35.88545 103.7947       292.1405 103.7947       292.1405 0.000000       0.000000 87.99615 35.88545 ?        ?        0.000000       35.88545 
1 1 1 17  5  17 o 304.3803 12.14243 2734.852       216.3218 2709.539       291.6696 2765.798       322.4985 302.1173 16.52425 304.8744 18.11838 -2.757050      24.52196 
1 1 1 17  5  18 o 504.8354 10.96879 7506.596       324.7573 7528.887       462.0818 7484.838       456.5209 504.1979 15.64563 502.7650 15.50116 1.432922       22.02435 
1 1 1 17  5  19 o 218.9783 12.87698 1420.186       164.6435 1328.156       235.2787 1508.498       230.4777 210.4288 19.27856 224.7602 17.62563 -14.33145      26.12137 
1 1 1 17  5  20 o 336.7038 10.28026 3342.294       202.7652 3508.040       296.2000 3196.127       278.1565 344.0053 14.71546 328.3851 14.47852 15.62027       20.64394 
1 1 1 17  5  21 o 319.7387 10.33714 3014.951       193.5865 3082.033       279.2694 2952.903       268.5883 322.3246 14.81296 315.5497 14.55258 6.774963       20.76539 
1 1 1 17  5  22 o 369.5429 14.43569 4047.417       312.2603 4047.417       312.2603 0.000000       0.000000 369.5429 14.43569 ?        ?        0.000000       14.43569 
1 1 1 17  5  23 o 95.48051 27.37015 283.0399       161.1702 117.5223       223.8051 461.3455       232.2898 80.44235 31.88891 120.5870 32.22852 -40.14463      45.33850 
1 1 1 17  5  24 o 87.63091 29.22026 223.2065       176.0136 174.6127       244.1046 275.8340       254.0340 88.23112 33.77197 99.41512 35.03923 -11.18399      48.66512 
1 1 1 17  5  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  5  26 o 59.86842 25.63313 -0.1859770E-01 160.3571 -29.80411      231.6495 27.38737       222.2038 69.28567 30.23352 72.22833 30.52034 -2.942665      42.95994 
1 1 1 17  5  27 o 91.39587 26.54869 259.2415       150.7069 7.806056       231.7641 443.4471       198.3738 71.93084 30.80743 118.2779 28.85752 -46.34704      42.21202 
1 1 1 17  5  28 f 349.4814 9.480952 3601.648       194.1445 3578.220       307.1411 3617.238       250.5462 346.8474 15.13546 349.5887 12.23913 -2.741211      19.46480 
1 1 1 17  5  29 o 223.6735 12.36074 1485.252       161.5167 1503.481       242.3019 1470.675       216.6781 223.3184 18.67116 221.4251 16.81107 1.893326       25.12418 
1 1 1 17  5  30 o 161.1213 15.00147 779.0858       140.1259 949.2147       221.8219 666.1145       180.7588 175.8603 21.98637 147.0211 21.60791 28.83917       30.82697 
1 1 1 17  5  31 o 77.56719 24.92418 181.6016       128.5925 113.6248       199.8260 229.6502       168.0009 76.10034 30.14349 87.02184 28.52887 -10.92149      41.50333 
1 1 1 17  5  32 o 57.24312 23.90468 28.25169       133.8300 326.5870       214.5817 -161.6667      171.2079 101.3602 32.15646 49.55849 23.25687 51.80167       39.68526 
1 1 1 17  5  33 o 155.8458 15.73492 735.0941       141.8495 394.3109       225.8789 957.0032       182.2738 109.4448 32.69291 177.3148 17.76694 -67.86996      37.20874 
1 1 1 17  5  34 o 175.2531 13.06367 922.1931       133.3049 1003.674       213.3360 870.0002       170.7423 179.8835 20.59263 168.6299 17.51963 11.25360       27.03690 
1 1 1 17  5  35 o 48.46240 21.56266 -32.31690      123.3310 -19.39737      187.7935 -42.11517      163.5430 61.02095 26.90516 55.29463 24.70139 5.726326       36.52460 
1 1 1 17  5  36 o 170.2614 12.94868 875.8052       128.3284 833.5287       189.2664 911.7787       174.5884 162.6954 20.27443 171.6676 17.58955 -8.972260      26.84110 
1 1 1 17  5  37 o 109.6549 19.20249 382.6826       118.9938 431.9511       156.8361 315.8481       182.6674 114.2999 24.15385 95.98621 29.55361 18.31364       38.16837 
1 1 1 17  5  38 o 145.2413 15.08091 649.7253       126.5923 545.5896       196.7177 723.3325       165.3878 126.3720 27.33847 151.2605 19.06621 -24.88850      33.33035 
1 1 1 17  5  39 o 56.30105 23.11049 54.14590       122.1537 111.2082       180.5536 5.981391       165.8804 69.74746 28.29749 58.22459 25.49149 11.52287       38.08627 
1 1 1 17  5  40 o 47.72557 21.17613 -18.40136      118.1226 -167.4822      177.9839 98.95161       157.9126 48.54657 23.05962 65.75107 26.54035 -17.20450      35.15873 
1 1 1 17  5  41 o 107.2626 20.81134 380.6768       126.1940 405.1444       180.0650 357.0599       176.9074 105.9738 28.39863 99.28034 28.74197 6.693466       40.40524 
1 1 1 17  5  42 o 48.49790 21.62986 -19.52749      124.8646 -156.6593      184.0692 97.36753       169.9456 49.58448 23.52302 65.99952 27.19290 -16.41504      35.95534 
1 1 1 17  5  43 o 108.3423 21.41965 395.1073       131.2757 284.6104       196.9220 483.4911       176.1188 87.77421 30.85723 116.4684 26.39602 -28.69421      40.60688 
1 1 1 17  5  44 o 99.32661 23.49254 344.4358       134.6906 370.5589       198.7626 322.2540       183.1557 97.86982 30.93599 92.27097 29.75459 5.598854       42.92285 
1 1 1 17  5  45 o 60.11889 25.20174 68.97283       149.6062 34.83925       221.2883 97.70845       203.0382 65.11611 28.93309 68.12190 28.99554 -3.005791      40.96175 
1 1 1 17  6  0  o 424.4380 21.78697 5330.918       540.5128 0.000000       0.000000 5330.918       540.5128 ?        ?        424.4380 21.78697 0.000000       21.78697 
1 1 1 17  6  1  o 543.7458 12.58712 8688.982       401.3958 8852.629       678.1591 8600.735       497.9983 547.3420 21.16614 540.4176 15.72933 6.924438       26.37076 
1 1 1 17  6  2  o 477.1701 12.38498 6695.727       346.2996 7101.252       569.8904 6458.326       436.0371 490.3445 19.85816 468.1960 15.90289 22.14856       25.44108 
1 1 1 17  6  3  o 278.3746 21.65153 2301.292       350.7054 2301.292       350.7054 0.000000       0.000000 278.3746 21.65153 ?        ?        0.000000       21.65153 
1 1 1 17  6  4  o 110.5334 36.31938 351.2508       272.2184 351.2508       272.2184 0.000000       0.000000 110.5334 36.31938 ?        ?        0.000000       36.31938 
1 1 1 17  6  5  o 186.1751 29.55414 1054.460       311.9240 1054.460       311.9240 0.000000       0.000000 186.1751 29.55414 ?        ?        0.000000       29.55414 
1 1 1 17  6  6  o 236.4675 24.17160 1672.033       330.5073 1672.033       330.5073 0.000000       0.000000 236.4675 24.17160 ?        ?        0.000000       24.17160 
1 1 1 17  6  7  o 386.7452 19.17659 4424.472       433.6008 4424.472       433.6008 0.000000       0.000000 386.7452 19.17659 ?        ?        0.000000       19.17659 
1 1 1 17  6  8  o 203.4883 28.63437 1255.275       332.2868 1255.275       332.2868 0.000000       0.000000 203.4883 28.63437 ?        ?        0.000000       28.63437 
1 1 1 17  6  9  o 178.5972 32.72810 982.8640       330.1750 982.8640       330.1750 0.000000       0.000000 178.5972 32.72810 ?        ?        0.000000       32.72810 
1 1 1 17  6  10 o 481.1211 21.12149 6863.061       594.5247 6863.061       594.5247 0.000000       0.000000 481.1211 21.12149 ?        ?        0.000000       21.12149 
1 1 1 17  6  11 o 704.2413 15.19658 14617.58       627.6504 14617.58       627.6504 0.000000       0.000000 704.2413 15.19658 ?        ?        0.000000       15.19658 
1 1 1 17  6  12 o 313.6022 18.69679 2918.091       342.3109 2918.091       342.3109 0.000000       0.000000 313.6022 18.69679 ?        ?        0.000000       18.69679 
1 1 1 17  6  13 o 204.8126 25.75970 1269.855       302.5914 1269.855       302.5914 0.000000       0.000000 204.8126 25.75970 ?        ?        0.000000       25.75970 
1 1 1 17  6  14 o 313.3536 17.76498 2914.137       325.1377 0.000000       0.000000 2914.137       325.1377 ?        ?        313.3536 17.76498 0.000000       17.76498 
1 1 1 17  6  15 o 401.4669 17.33802 4778.719       407.2628 4778.719       407.2628 0.000000       0.000000 401.4669 17.33802 ?        ?        0.000000       17.33802 
1 1 1 17  6  16 o 448.6503 11.01469 5926.233       289.8216 6323.230       441.3780 5625.322       384.2698 462.0517 16.31367 436.1028 15.04693 25.94888       22.19337 
1 1 1 17  6  17 o 294.8459 12.18745 2566.951       210.2913 2436.573       291.3299 2708.784       303.8591 286.2056 17.43904 301.8723 17.23483 -15.66663      24.51856 
1 1 1 17  6  18 o 145.0276 20.77615 638.8527       171.6709 472.5283       260.8993 765.8483       227.9762 122.4451 34.73358 157.8255 25.49886 -35.38038      43.08844 
1 1 1 17  6  19 o 308.6267 10.66359 2809.375       192.7235 2862.521       274.7243 2757.877       270.4308 310.6326 15.12540 304.8777 15.17213 5.754883       21.42362 
1 1 1 17  6  20 o 107.5529 23.97008 360.5651       147.3308 641.7021       211.6404 96.22079       205.2223 143.8276 26.04912 76.08213 30.41255 67.74551       40.04347 
1 1 1 17  6  21 o 548.3036 11.20247 8864.615       360.2347 8678.585       497.8098 9069.120       521.9442 540.8626 15.71037 552.7403 16.11820 -11.87769      22.50805 
1 1 1 17  6  22 o 125.3822 22.72415 485.1096       160.9479 738.4915       231.9691 249.8986       223.4967 154.3016 26.59352 94.30908 32.89388 59.99251       42.29921 
1 1 1 17  6  23 f 379.8780 10.54910 4255.516       234.7953 4316.778       336.9390 4197.684       327.3693 381.4911 15.08946 376.2471 14.86517 5.244019       21.18172 
1 1 1 17  6  24 o 224.3131 14.83202 1495.814       194.0266 1530.214       283.0940 1465.339       266.4516 225.1742 21.70553 220.5510 20.84699 4.623245       30.09530 
1 1 1 17  6  25 o 217.2448 15.16940 1404.561       192.0574 1652.964       282.7176 1191.693       261.7167 234.3342 20.78697 198.0764 22.95374 36.25783       30.96728 
1 1 1 17  6  26 o 222.4701 14.09513 1470.426       182.9585 1430.735       253.6148 1513.497       264.1940 217.9870 20.06269 224.1793 20.31479 -6.192352      28.55175 
1 1 1 17  6  27 o 257.9107 11.43291 1967.306       172.5027 2121.413       273.6108 1865.638       222.2354 266.3196 17.61681 250.3192 15.20978 16.00041       23.27422 
1 1 1 17  6  28 o 113.1181 22.49999 398.4310       144.0126 391.4659       232.7677 402.7506       183.3085 111.1174 33.18653 112.6255 27.89797 -1.508011      43.35484 
1 1 1 17  6  29 o 102.1534 24.36034 329.5006       143.8847 307.1393       229.3877 344.0057       184.7486 100.3781 33.35468 103.9705 29.13669 -3.592316      44.28861 
1 1 1 17  6  30 o 228.8342 11.64952 1553.677       155.8290 1784.243       264.2125 1430.697       192.9629 243.1255 18.67279 218.6785 15.13932 24.44701       24.03897 
1 1 1 17  6  31 o 192.2844 12.49605 1101.052       140.1550 1158.657       224.2447 1064.124       179.5439 195.0531 19.88044 187.9656 16.45273 7.087479       25.80551 
1 1 1 17  6  32 o 160.2137 15.62118 774.5212       144.9170 762.4916       223.8103 783.2058       190.1633 155.4946 25.41972 159.4182 20.83771 -3.923599      32.86902 
1 1 1 17  6  33 o 267.2524 10.24316 2118.009       160.2513 2175.389       253.9174 2080.024       206.5922 268.6387 16.19176 263.8009 13.39712 4.837799       21.01562 
1 1 1 17  6  34 o 75.86376 25.19987 175.9327       130.9369 86.30579       207.1020 235.6143       168.9994 72.97539 30.03793 86.50687 28.62559 -13.53148      41.49339 
1 1 1 17  6  35 o 93.09682 23.70635 283.2434       129.7611 312.5084       190.7054 258.0130       177.0720 96.67550 30.26754 89.11319 29.29297 7.562309       42.12127 
1 1 1 17  6  36 o 100.9893 21.61522 330.4748       124.1568 608.8967       194.4657 138.8916       161.3132 136.0229 25.30819 72.26106 27.50374 63.76180       37.37593 
1 1 1 17  6  37 f 118.2636 17.48049 438.5205       117.5941 383.6489       174.9117 483.7787       158.8522 105.8519 27.81712 121.6130 23.11694 -15.76110      36.16884 
1 1 1 17  6  38 o 53.54448 22.36684 35.22488       117.2169 64.96479       166.2807 5.847826       165.2633 63.99794 26.67950 58.48169 25.52746 5.516243       36.92488 
1 1 1 17  6  39 o 77.37789 23.91758 199.5396       119.5000 228.3421       183.2502 178.2288       157.6266 82.96394 29.70680 75.47818 27.48098 7.485756       40.46848 
1 1 1 17  6  40 o 63.93760 24.50421 110.3661       128.6210 154.0541       191.7812 74.65144       173.3998 74.57052 29.53272 64.95827 27.17435 9.612251       40.13262 
1 1 1 17  6  41 o 77.16016 24.58927 202.3068       125.3547 316.7885       198.3919 126.2271       161.7298 92.87808 31.02335 68.62106 27.13810 24.25702       41.21801 
1 1 1 17  6  42 o 45.81882 21.30195 -85.71619      138.2524 -44.03799      213.2665 -115.9270      181.5723 60.00336 27.36729 51.32779 24.04338 8.675568       36.42873 
1 1 1 17  6  43 o 92.48860 24.93325 302.5860       138.2970 297.6570       215.1006 306.0593       180.5643 89.13222 32.15146 90.75778 29.56528 -1.625565      43.67862 
1 1 1 17  6  44 o 49.24800 22.15228 -25.19393      134.0253 -345.8752      222.9727 156.2106       167.7023 47.16549 23.18265 71.23027 27.79488 -24.06479      36.19379 
1 1 1 17  6  45 o 76.31389 26.24345 204.4765       142.0424 39.54786       238.3833 295.2695       176.8698 67.00616 29.88526 88.53747 29.28406 -21.53131      41.84118 
1 1 1 17  7  0  o 598.0085 13.25345 10513.54       464.8222 10975.34       786.7064 10265.86       576.1418 609.2322 22.05446 590.2523 16.66003 18.97992       27.63975 
1 1 1 17  7  1  o 645.0408 13.74451 12234.99       519.9564 12571.78       887.4208 12058.93       641.6285 651.7699 23.25312 639.6674 17.11865 12.10248       28.87483 
1 1 1 17  7  2  o 146.0256 23.52947 646.0248       194.6612 805.2291       282.9805 503.0183       268.1989 161.9541 30.92044 127.7449 34.84217 34.20921       46.58380 
1 1 1 17  7  3  o 135.0895 29.04733 562.3731       223.2885 632.2117       288.1592 457.4242       353.2432 142.7229 34.75494 125.6741 41.37690 17.04884       54.03660 
1 1 1 17  7  4  o 453.1631 19.27645 6068.179       511.1389 6068.179       511.1389 0.000000       0.000000 453.1631 19.27645 ?        ?        0.000000       19.27645 
1 1 1 17  7  5  o 719.2041 25.34993 15347.49       1067.578 15347.49       1067.578 0.000000       0.000000 719.2041 25.34993 ?        ?        0.000000       25.34993 
1 1 1 17  7  6  o 263.4483 22.14583 2066.605       339.0022 2066.605       339.0022 0.000000       0.000000 263.4483 22.14583 ?        ?        0.000000       22.14583 
1 1 1 17  7  7  o 257.2141 22.60520 1972.675       337.5343 1972.675       337.5343 0.000000       0.000000 257.2141 22.60520 ?        ?        0.000000       22.60520 
1 1 1 17  7  8  o 470.5662 19.84944 6553.626       546.5664 6553.626       546.5664 0.000000       0.000000 470.5662 19.84944 ?        ?        0.000000       19.84944 
1 1 1 17  7  9  o 267.7713 22.47601 2138.599       349.7123 2138.599       349.7123 0.000000       0.000000 267.7713 22.47601 ?        ?        0.000000       22.47601 
1 1 1 17  7  10 o 704.3057 25.21436 14764.32       1039.820 14764.32       1039.820 0.000000       0.000000 704.3057 25.21436 ?        ?        0.000000       25.21436 
1 1 1 17  7  11 o 133.0233 30.14397 550.1731       229.7092 550.1731       229.7092 0.000000       0.000000 133.0233 30.14397 ?        ?        0.000000       30.14397 
1 1 1 17  7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  7  15 o 443.6743 11.22209 5799.229       291.7695 5554.289       417.3485 6033.384       408.0571 433.0359 16.46327 451.6221 15.42884 -18.58621      22.56299 
1 1 1 17  7  16 o 185.5307 25.70309 1050.256       272.1706 0.000000       0.000000 1050.256       272.1706 ?        ?        185.5307 25.70309 0.000000       25.70309 
1 1 1 17  7  17 o 370.6048 11.17255 4049.535       242.5591 4247.133       355.3922 3877.223       331.8749 378.4676 16.04780 361.6713 15.68351 16.79626       22.43891 
1 1 1 17  7  18 o 242.0499 13.39312 1735.267       189.3829 1843.180       277.7239 1641.472       258.9196 248.2092 19.22837 234.2058 19.01363 14.00346       27.04161 
1 1 1 17  7  19 o 219.8205 19.61621 1450.511       250.2369 1450.511       250.2369 0.000000       0.000000 219.8205 19.61621 ?        ?        0.000000       19.61621 
1 1 1 17  7  20 o 140.6505 18.80400 598.8658       151.2282 688.6150       220.4400 519.0737       207.8526 149.0534 26.17159 128.4806 28.34618 20.57281       38.58054 
1 1 1 17  7  21 o 261.3253 11.62489 2018.429       177.7184 1925.995       254.4038 2106.530       248.3686 254.0721 17.17416 266.0592 15.99105 -11.98708      23.46626 
1 1 1 17  7  22 o 192.7570 15.60226 1108.207       174.8732 1206.407       254.5360 1020.420       240.6629 199.5450 22.12108 183.1093 22.91034 16.43571       31.84691 
1 1 1 17  7  23 o 543.4135 11.25601 8707.177       358.7281 8547.106       502.3987 8873.674       512.3851 536.6691 15.97995 546.8282 15.99418 -10.15918      22.60913 
1 1 1 17  7  24 o 303.1090 12.27857 2716.073       217.8197 2877.394       322.7310 2581.106       295.1947 310.6388 17.78911 294.3268 17.17591 16.31204       24.72780 
1 1 1 17  7  25 o 77.57796 29.15630 140.7006       179.9504 336.7607       267.2627 -21.89353      243.3864 106.6841 36.01130 71.63903 31.12862 35.04504       47.60047 
1 1 1 17  7  26 o 230.4839 12.33102 1573.422       166.0759 1714.500       254.7472 1469.144       219.0153 239.2375 18.29519 221.6945 16.97402 17.54306       24.95658 
1 1 1 17  7  27 o 211.1045 12.80324 1322.705       157.7688 1286.828       248.2035 1347.028       204.3683 206.1925 20.80949 212.1990 16.55263 -6.006500      26.58993 
1 1 1 17  7  28 o 230.4387 12.64114 1576.158       170.1866 1843.290       260.2247 1376.509       224.9671 247.7761 18.03105 213.9176 18.10148 33.85855       25.54960 
1 1 1 17  7  29 o 61.09732 24.89649 50.16774       140.4827 55.86436       230.6715 46.80915       177.1183 75.06178 31.36747 66.63996 27.63736 8.421814       41.80600 
1 1 1 17  7  30 o 92.66734 25.45044 271.6711       142.5298 261.3660       245.8131 276.8905       174.9395 95.82097 34.39473 94.03751 28.91595 1.783455       44.93473 
1 1 1 17  7  31 o 39.41673 19.04374 -204.4686      133.3217 -39.37833      217.3851 -304.0027      168.7932 65.53653 28.91966 42.23653 20.63653 23.30000       35.52764 
1 1 1 17  7  32 o 189.2180 13.05999 1069.841       144.0401 1285.322       252.1440 965.4559       175.4941 204.4870 21.33847 178.5487 16.96278 25.93825       27.25924 
1 1 1 17  7  33 o 82.54267 24.53843 215.6077       127.4905 -33.43396      219.7091 342.0317       156.5405 65.65779 29.01901 102.7544 25.96875 -37.09665      38.94199 
1 1 1 17  7  34 o 307.4226 9.101811 2800.888       163.9214 2771.740       256.8430 2820.920       212.9245 303.3860 14.47694 307.4076 11.83238 -4.021637      18.69724 
1 1 1 17  7  35 o 159.6073 13.92886 772.4200       129.0775 692.5375       207.7314 822.6600       164.7406 145.8216 25.20136 163.2586 17.47741 -17.43701      30.66869 
1 1 1 17  7  36 o 62.49745 23.61091 100.0360       118.3510 214.8376       178.7038 10.34332       157.9569 82.79493 29.36925 58.26107 25.19719 24.53386       38.69691 
1 1 1 17  7  37 o 64.40667 23.53576 116.5364       115.7703 108.5887       166.6503 123.9494       160.9465 68.89353 27.45015 70.01705 27.25555 -1.123520      38.68301 
1 1 1 17  7  38 o 72.76376 26.79845 157.4663       150.5572 387.9462       496.4343 134.1201       157.9986 106.7386 45.38243 70.45474 27.11857 36.28384       52.86759 
1 1 1 17  7  39 o 124.9825 17.06111 492.7268       121.7953 381.7507       179.5275 587.3595       165.7817 103.7026 28.59568 133.8272 21.87753 -30.12463      36.00471 
1 1 1 17  7  40 o 47.60635 21.21950 -22.82606      119.9844 -6.839970      173.1152 -37.60453      166.4481 57.85023 25.65394 54.52680 24.59261 3.323437       35.53760 
1 1 1 17  7  41 o 46.47798 21.25858 -56.79223      129.8760 -115.5263      202.3231 -15.62727      169.3810 54.69473 25.54204 56.28098 25.14046 -1.586250      35.83907 
1 1 1 17  7  42 o 47.73746 21.57714 -36.25167      128.9427 -153.3070      207.1004 37.84831       164.7762 53.09055 25.11689 59.66476 25.76963 -6.574211      35.98516 
1 1 1 17  7  43 o 49.92994 22.36296 -21.23102      134.9801 -31.54625      210.7461 -14.05619      175.7624 60.12555 27.33834 56.76927 25.46527 3.356274       37.36127 
1 1 1 17  7  44 o 105.0109 23.57905 384.9061       141.6506 607.5206       225.7461 240.3348       181.9217 125.9690 30.81474 81.60529 29.55016 44.36375       42.69380 
1 1 1 17  7  45 o 116.3928 21.75144 461.4140       143.0208 504.2332       225.2403 432.4869       185.1314 112.2677 32.41034 106.9559 28.85401 5.311844       43.39336 
1 1 1 17  8  0  o 635.7363 13.64178 11886.16       508.6258 12071.37       849.3030 11782.59       635.1131 638.6309 22.71194 632.1981 17.14544 6.432800       28.45695 
1 1 1 17  8  1  o 373.8277 11.80105 4111.027       258.4035 4485.998       407.3326 3858.497       334.2772 389.7402 17.86819 361.6874 15.79688 28.05273       23.84981 
1 1 1 17  8  2  f 386.8598 13.93263 4408.000       315.5931 4659.198       427.0663 4105.788       468.4278 397.1080 18.38724 372.1859 21.55231 24.92206       28.33007 
1 1 1 17  8  3  o 347.8575 14.08473 3565.716       286.7487 3735.848       384.2687 3351.939       430.7476 355.4558 18.49676 336.0567 21.97602 19.39911       28.72412 
1 1 1 17  8  4  o 514.1101 20.42080 7817.700       614.4895 7817.700       614.4895 0.000000       0.000000 514.1101 20.42080 ?        ?        0.000000       20.42080 
1 1 1 17  8  5  o 376.9725 19.09061 4204.549       420.6918 4204.549       420.6918 0.000000       0.000000 376.9725 19.09061 ?        ?        0.000000       19.09061 
1 1 1 17  8  6  o 336.1790 19.60838 3348.623       384.9228 3348.623       384.9228 0.000000       0.000000 336.1790 19.60838 ?        ?        0.000000       19.60838 
1 1 1 17  8  7  o 660.9511 23.90180 12967.83       924.9851 12967.83       924.9851 0.000000       0.000000 660.9511 23.90180 ?        ?        0.000000       23.90180 
1 1 1 17  8  8  f 302.0953 19.21388 2706.876       338.6516 2706.876       338.6516 0.000000       0.000000 302.0953 19.21388 ?        ?        0.000000       19.21388 
1 1 1 17  8  9  o 136.1108 34.54754 578.3056       276.2069 578.3056       276.2069 0.000000       0.000000 136.1108 34.54754 ?        ?        0.000000       34.54754 
1 1 1 17  8  10 o 377.6880 18.72656 4226.833       413.5093 4226.833       413.5093 0.000000       0.000000 377.6880 18.72656 ?        ?        0.000000       18.72656 
1 1 1 17  8  11 o 787.8330 16.12988 18318.00       745.2739 18318.00       745.2739 0.000000       0.000000 787.8330 16.12988 ?        ?        0.000000       16.12988 
1 1 1 17  8  12 o 299.3437 15.14858 2650.338       265.0809 2650.338       265.0809 0.000000       0.000000 299.3437 15.14858 ?        ?        0.000000       15.14858 
1 1 1 17  8  13 o 396.4012 13.28664 4636.384       308.4512 4636.384       308.4512 0.000000       0.000000 396.4012 13.28664 ?        ?        0.000000       13.28664 
1 1 1 17  8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  8  15 o 364.7183 16.19395 3942.242       345.5227 0.000000       0.000000 3942.242       345.5227 ?        ?        364.7183 16.19395 0.000000       16.19395 
1 1 1 17  8  16 o 422.6993 11.34400 5267.080       280.9672 5010.186       409.6996 5495.170       386.0493 410.8956 17.03832 430.8415 15.30259 -19.94592      22.90139 
1 1 1 17  8  17 o 492.2413 11.15822 7138.601       322.1243 6857.418       443.1662 7453.574       469.0391 481.0911 15.72798 501.5098 15.96735 -20.41873      22.41262 
1 1 1 17  8  18 o 128.9241 23.44765 512.7249       170.7609 355.1010       244.2330 663.4669       238.8420 107.9375 34.31383 145.5946 28.99070 -37.65714      44.92104 
1 1 1 17  8  19 o 98.56274 26.02016 303.5339       152.5934 224.8010       220.8597 375.4432       211.0723 91.33649 32.62358 109.4425 31.30602 -18.10605      45.21465 
1 1 1 17  8  20 o 121.0227 22.42859 452.1416       153.3307 459.3343       227.4684 446.1517       207.5786 120.3401 31.76875 118.7809 29.84024 1.559219       43.58548 
1 1 1 17  8  21 f 405.2097 10.46667 4841.469       248.5278 4909.819       362.3116 4780.729       341.5495 406.8225 15.21221 401.6365 14.52398 5.186005       21.03229 
1 1 1 17  8  22 o 330.9958 11.03412 3233.458       213.8963 3554.918       329.3883 2999.060       281.2690 345.7914 16.28793 317.8511 15.13200 27.94028       22.23228 
1 1 1 17  8  23 o 88.07758 29.57066 224.4037       180.2203 183.8567       272.3614 255.9840       240.3667 91.92604 35.54616 96.27636 34.07008 -4.350319      49.23718 
1 1 1 17  8  24 o 401.4700 11.16366 4755.703       262.5962 4630.060       381.2168 4869.150       362.2435 394.6841 16.50561 405.1510 15.27254 -10.46695      22.48746 
1 1 1 17  8  25 o 278.4790 12.20240 2293.782       198.8075 2330.810       298.1442 2264.135       266.7762 279.2379 18.30641 275.6717 16.57736 3.566223       24.69683 
1 1 1 17  8  26 o 262.1674 10.85345 2030.596       166.5163 1943.066       256.8204 2094.082       218.7205 254.9858 17.27566 265.5700 14.09346 -10.58420      22.29516 
1 1 1 17  8  27 o 59.38249 24.69610 30.28303       141.9831 -2.518241      231.7574 49.99101       179.6426 71.02364 30.61796 67.61404 27.91795 3.409592       41.43515 
1 1 1 17  8  28 o 65.61242 26.19890 72.86903       152.1276 336.1871       233.8174 -120.4183      200.3264 104.1489 33.62178 57.70609 26.39719 46.44276       42.74618 
1 1 1 17  8  29 o 227.0404 12.38330 1531.282       164.2641 1232.608       255.2869 1742.314       214.5873 200.7353 22.04719 241.4509 15.23152 -40.71561      26.79698 
1 1 1 17  8  30 o 36.94402 18.06878 -242.2838      130.3610 -294.9156      216.6962 -212.4331      163.1941 51.38670 24.68758 45.34219 21.68783 6.044518       32.86090 
1 1 1 17  8  31 o 250.2879 11.01550 1857.657       161.2982 1664.820       259.0388 1979.774       206.1380 234.3181 19.01309 257.6282 13.69231 -23.31004      23.43025 
1 1 1 17  8  32 o 80.27293 26.25578 196.1600       142.3323 371.2141       240.0643 101.2682       176.7484 106.9390 34.02243 71.47728 28.33763 35.46174       44.27806 
1 1 1 17  8  33 o 60.27020 24.09995 65.17063       128.9130 159.1439       219.1384 15.43983       159.4150 81.57976 31.79008 59.97882 25.61594 21.60094       40.82629 
1 1 1 17  8  34 o 87.55833 23.64237 248.5230       124.2263 363.8943       198.6027 174.3719       159.2191 104.0461 30.54843 77.34230 27.69092 26.70384       41.23098 
1 1 1 17  8  35 o 71.62189 24.60501 155.4291       124.8505 201.4479       196.4584 124.2523       161.7033 82.65015 30.58150 70.77177 27.38298 11.87838       41.04943 
1 1 1 17  8  36 o 101.2239 22.23564 334.6231       128.3867 232.8197       201.5148 404.1791       166.5685 85.93783 31.10330 109.6146 26.25618 -23.67680      40.70383 
1 1 1 17  8  37 o 60.17045 23.61821 81.99857       121.6845 -144.5038      189.2357 241.6827       158.8904 52.30239 24.51455 85.18376 27.73308 -32.88137      37.01469 
1 1 1 17  8  38 o 53.43997 22.28865 37.05374       116.1330 80.94744       187.4871 9.728503       147.9286 67.82835 28.30711 55.93019 24.28580 11.89816       37.29735 
1 1 1 17  8  39 o 84.28669 28.36889 243.0971       165.8634 65.69952       526.4952 262.6429       174.7621 91.34529 42.15295 87.01814 29.11818 4.327156       51.23221 
1 1 1 17  8  40 f 124.8100 17.61219 495.9931       125.3387 655.2516       202.8247 397.6011       159.4225 137.9275 26.02776 106.9299 25.73402 30.99761       36.60170 
1 1 1 17  8  41 o 84.84572 25.53848 251.9060       137.4424 253.1281       220.1956 251.1260       175.9200 85.29564 32.20965 84.29896 29.19620 0.9966812      43.47275 
1 1 1 17  8  42 o 75.09461 25.96392 191.5009       139.0994 498.8658       249.8589 53.45586       167.4473 111.2860 34.61524 61.32512 26.22375 49.96087       43.42695 
1 1 1 17  8  43 o 48.13635 21.99640 -51.08290      138.6192 -3.602769      274.8941 -67.27312      160.5225 68.34546 31.13301 50.68793 23.34935 17.65753       38.91602 
1 1 1 17  8  44 o 88.70721 26.28547 286.0615       146.4807 164.2742       261.2383 341.9111       176.9074 77.43064 32.92131 95.11475 29.04643 -17.68410      43.90339 
1 1 1 17  8  45 o 57.16772 24.41186 47.22489       144.7433 67.40691       248.2552 36.83092       178.1585 69.38332 30.74715 60.36330 26.42320 9.020020       40.54100 
1 1 1 17  9  0  o 700.8950 14.51027 14457.00       596.4566 15432.79       1044.121 13984.31       726.6999 721.3112 24.71836 688.4463 18.01390 32.86487       30.58592 
1 1 1 17  9  1  o 452.9048 11.89832 6033.721       315.7669 6401.046       506.4875 5800.171       403.8624 465.4707 18.59090 443.5559 15.54916 21.91479       24.23629 
1 1 1 17  9  2  o 346.0523 13.59040 3528.286       275.2830 3747.884       366.3185 3243.374       417.2536 356.1174 17.59388 330.5349 21.64352 25.58246       27.89241 
1 1 1 17  9  3  o 323.9528 13.86683 3093.541       262.8473 3139.280       340.6427 3026.232       413.2290 325.7818 17.89754 319.0949 22.21991 6.686920       28.53150 
1 1 1 17  9  4  o 189.9051 20.86270 1078.451       228.5361 1031.695       275.4849 1181.649       409.2757 184.6558 26.17043 195.2751 37.09296 -10.61937      45.39581 
1 1 1 17  9  5  o 346.7737 18.64081 3559.493       377.7133 3559.493       377.7133 0.000000       0.000000 346.7737 18.64081 ?        ?        0.000000       18.64081 
1 1 1 17  9  6  o 588.0834 22.04847 10252.55       759.0984 10252.55       759.0984 0.000000       0.000000 588.0834 22.04847 ?        ?        0.000000       22.04847 
1 1 1 17  9  7  o 341.0663 18.95415 3446.776       377.6438 3446.776       377.6438 0.000000       0.000000 341.0663 18.95415 ?        ?        0.000000       18.95415 
1 1 1 17  9  8  o 352.0982 18.91967 3673.905       389.2514 3673.905       389.2514 0.000000       0.000000 352.0982 18.91967 ?        ?        0.000000       18.91967 
1 1 1 17  9  9  o 282.7534 14.84339 2362.710       245.2832 2362.710       245.2832 0.000000       0.000000 282.7534 14.84339 ?        ?        0.000000       14.84339 
1 1 1 17  9  10 o 303.9153 20.37116 2748.024       360.9969 2748.024       360.9969 0.000000       0.000000 303.9153 20.37116 ?        ?        0.000000       20.37116 
1 1 1 17  9  11 o 778.8734 16.17396 17912.06       738.8118 17912.06       738.8118 0.000000       0.000000 778.8734 16.17396 ?        ?        0.000000       16.17396 
1 1 1 17  9  12 o 1397.580 47.94480 61073.42       3923.966 61073.42       3923.966 0.000000       0.000000 1397.580 47.94480 ?        ?        0.000000       47.94480 
1 1 1 17  9  13 o 778.0334 27.34365 18177.30       1245.746 18177.30       1245.746 0.000000       0.000000 778.0334 27.34365 ?        ?        0.000000       27.34365 
1 1 1 17  9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  9  15 o 404.0924 11.62231 4814.682       275.1518 5207.306       431.9804 4546.644       356.9220 418.7896 17.62747 391.8177 15.56337 26.97180       23.51480 
1 1 1 17  9  16 o 307.8767 17.59803 2820.132       316.4306 2820.132       316.4306 0.000000       0.000000 307.8767 17.59803 ?        ?        0.000000       17.59803 
1 1 1 17  9  17 o 262.1159 13.28103 2033.794       203.4971 2040.845       280.9012 2026.006       295.2082 261.4409 18.43844 260.2134 19.48559 1.227478       26.82656 
1 1 1 17  9  18 o 251.3360 12.95389 1870.231       190.2995 2095.829       285.9241 1690.829       254.9754 264.8266 18.52621 237.7588 18.42948 27.06778       26.13171 
1 1 1 17  9  19 o 78.16068 26.96461 169.7337       149.9966 -190.2752      234.5117 418.9843       195.1309 59.94101 27.82524 115.2688 28.91697 -55.32783      40.13023 
1 1 1 17  9  20 o 170.2477 15.93354 866.7435       157.2421 974.7159       252.6602 798.4877       200.8863 178.3287 24.83079 161.9858 21.69037 16.34286       32.97029 
1 1 1 17  9  21 o 113.6279 25.03247 403.5347       162.3049 297.8571       257.1396 473.5196       209.2568 101.9068 35.29806 122.3804 29.50254 -20.47358      46.00383 
1 1 1 17  9  22 o 93.17512 28.59866 265.1881       171.2179 483.1721       269.1946 117.0930       221.8832 123.3380 35.37805 80.16391 31.76025 43.17412       47.54282 
1 1 1 17  9  23 o 389.9360 11.45454 4487.945       261.6680 4212.164       377.6273 4742.663       362.9197 376.2235 17.15979 399.7836 15.50813 -23.56012      23.12922 
1 1 1 17  9  24 o 277.4478 12.92922 2278.840       209.8012 2590.220       338.6061 2084.810       267.2914 294.0421 19.74972 264.3346 17.33742 29.70743       26.27998 
1 1 1 17  9  25 o 220.5979 13.31057 1443.926       171.4049 1355.510       285.9277 1493.523       214.1497 211.0933 23.49329 223.6902 16.43857 -12.59691      28.67335 
1 1 1 17  9  26 o 111.7066 23.77757 389.8661       150.9903 501.2977       247.1509 323.5114       190.7191 125.0388 33.16410 101.6895 29.95729 23.34931       44.69112 
1 1 1 17  9  27 o 131.8823 20.01130 532.3351       149.9254 731.9790       250.3811 420.7414       187.1946 152.1946 29.11165 115.0939 28.00313 37.10069       40.39385 
1 1 1 17  9  28 o 373.9945 9.498339 4127.469       208.1669 4033.168       329.1730 4190.317       268.7249 367.8625 15.29101 376.0693 12.20013 -8.206757      19.56165 
1 1 1 17  9  29 o 228.2653 11.88942 1546.674       158.6176 1413.533       258.2148 1627.362       201.0150 215.5370 20.68064 233.4056 14.76035 -17.86864      25.40781 
1 1 1 17  9  30 o 261.4247 15.92571 2048.234       243.0135 2134.856       269.5118 1671.570       562.0069 266.3862 17.34538 220.2810 45.02414 46.10521       48.24972 
1 1 1 17  9  31 o 181.3083 14.60129 986.4630       153.9480 865.3749       256.7144 1054.464       192.3784 165.0296 27.49052 186.4844 17.80582 -21.45482      32.75326 
1 1 1 17  9  32 o 42.66223 20.34316 -173.6926      141.2634 -273.5706      237.1283 -118.7476      175.8783 55.28413 26.36047 52.84035 24.37671 2.443771       35.90401 
1 1 1 17  9  33 o 55.34877 23.25834 25.04922       127.9006 97.56843       213.6499 -15.45615      159.6733 74.91171 30.63555 57.15809 25.01765 17.75361       39.55275 
1 1 1 17  9  34 o 191.9397 11.90287 1104.171       133.3290 1238.326       215.8514 1021.409       169.5386 200.3069 18.58619 183.0056 15.95560 17.30132       24.49546 
1 1 1 17  9  35 o 82.67513 24.01584 223.4044       123.3217 236.1658       195.7998 215.0133       158.7707 86.50212 30.73622 82.12749 27.75581 4.374626       41.41376 
1 1 1 17  9  36 o 97.49788 22.10044 311.0873       123.4431 240.5321       196.4662 357.1104       158.6759 86.46576 30.78171 102.8507 26.22815 -16.38497      40.44044 
1 1 1 17  9  37 o 115.0178 19.26963 422.2888       125.3901 582.8784       208.5520 331.3710       156.9207 130.2848 28.11970 98.51085 26.56005 31.77393       38.68015 
1 1 1 17  9  38 o 96.90833 22.43210 313.0003       124.9698 302.7664       207.5478 318.8209       156.5251 92.70274 31.72786 95.90566 26.79805 -3.202919      41.53062 
1 1 1 17  9  39 o 120.1356 18.98522 463.9672       129.3245 454.0442       203.7573 470.6612       167.3541 111.8176 30.31570 117.4161 25.06595 -5.598473      39.33629 
1 1 1 17  9  40 f 49.53320 21.95252 -14.27815      126.5762 -152.3495      221.5170 52.65774       154.2356 55.69343 26.23503 60.21175 25.43441 -4.518322      36.54020 
1 1 1 17  9  41 o 147.8958 16.13879 689.1145       137.7148 766.2678       214.3045 634.8422       179.7394 148.9870 25.43887 137.1183 23.17609 11.86870       34.41318 
1 1 1 17  9  42 o 44.51033 20.70124 -82.61189      130.7526 -77.54424      213.0628 -85.67334      165.6031 57.80688 26.72544 50.46833 23.41228 7.338551       35.53004 
1 1 1 17  9  43 o 69.97337 26.05587 156.6809       143.0350 171.7074       227.4330 146.8485       183.9732 76.46771 31.47687 71.43255 28.71238 5.035164       42.60509 
1 1 1 17  9  44 o 43.37769 20.54947 -122.2419      139.5196 -172.3363      238.0891 -96.04342      172.1798 55.71029 26.52156 50.49989 23.57634 5.210392       35.48573 
1 1 1 17  10 0  o 369.0991 12.99423 4012.268       280.8446 4505.747       376.7775 3395.308       421.2880 390.6680 16.48175 338.1990 21.34903 52.46899       26.97090 
1 1 1 17  10 1  o 219.6522 14.84189 1426.973       190.0718 1368.101       235.4698 1537.068       322.0058 214.4705 18.91410 226.3827 24.65093 -11.91222      31.07108 
1 1 1 17  10 2  o 334.2282 13.37766 3291.980       261.6951 3208.201       332.0308 3429.373       425.1997 329.3995 17.24728 339.8488 21.44254 -10.44937      27.51820 
1 1 1 17  10 3  o 145.9664 23.06900 646.0891       190.9298 701.1670       229.6224 522.7000       343.6876 151.4232 26.83908 131.3116 40.55697 20.11159       48.63337 
1 1 1 17  10 4  o 221.2074 16.46914 1450.429       212.1258 1690.300       265.5863 1027.795       352.5329 238.4754 19.15027 182.3343 34.22372 56.14110       39.21729 
1 1 1 17  10 5  o 602.2548 22.06470 10755.93       778.0258 10755.93       778.0258 0.000000       0.000000 602.2548 22.06470 ?        ?        0.000000       22.06470 
1 1 1 17  10 6  f 357.3447 18.82398 3782.889       393.1107 3782.889       393.1107 0.000000       0.000000 357.3447 18.82398 ?        ?        0.000000       18.82398 
1 1 1 17  10 7  o 507.4638 20.06626 7630.487       596.0257 7630.487       596.0257 0.000000       0.000000 507.4638 20.06626 ?        ?        0.000000       20.06626 
1 1 1 17  10 8  o 561.8000 13.79053 9296.407       454.3739 9296.407       454.3739 0.000000       0.000000 561.8000 13.79053 ?        ?        0.000000       13.79053 
1 1 1 17  10 9  o 407.3838 13.01641 4892.052       310.5903 4892.052       310.5903 0.000000       0.000000 407.3838 13.01641 ?        ?        0.000000       13.01641 
1 1 1 17  10 10 o 401.0150 17.25454 4761.419       404.8528 4761.419       404.8528 0.000000       0.000000 401.0150 17.25454 ?        ?        0.000000       17.25454 
1 1 1 17  10 11 o 557.9195 13.72234 9176.437       449.0040 9176.437       449.0040 0.000000       0.000000 557.9195 13.72234 ?        ?        0.000000       13.72234 
1 1 1 17  10 12 o 577.2662 22.06892 9929.949       745.7736 9929.949       745.7736 0.000000       0.000000 577.2662 22.06892 ?        ?        0.000000       22.06892 
1 1 1 17  10 13 o 384.0972 13.67758 4357.767       307.6148 4357.767       307.6148 0.000000       0.000000 384.0972 13.67758 ?        ?        0.000000       13.67758 
1 1 1 17  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  10 15 o 435.6657 11.61415 5597.028       296.4856 5076.223       415.4003 6137.828       423.2991 413.5075 17.16637 455.1523 15.88203 -41.64484      23.38639 
1 1 1 17  10 16 o 199.7205 16.49845 1189.730       191.5262 1015.611       274.8810 1354.018       267.0085 181.8988 26.54935 211.8951 21.79642 -29.99629      34.35043 
1 1 1 17  10 17 o 230.4337 14.76044 1577.335       198.4295 1736.154       285.5068 1428.939       275.9791 240.4370 20.44078 217.5650 21.92785 22.87199       29.97759 
1 1 1 17  10 18 o 462.5619 10.80584 6305.680       293.1426 6262.036       421.6692 6346.502       407.8105 459.4374 15.67225 462.7374 15.04704 -3.299988      21.72632 
1 1 1 17  10 19 o 37.45984 18.55093 -349.4780      152.3204 -600.9296      235.8799 -169.6243      199.4910 44.75767 22.31701 54.96863 25.56692 -10.21096      33.93695 
1 1 1 17  10 20 o 135.9687 19.84532 562.5767       153.5884 454.6438       245.3884 632.0920       196.9324 119.7176 33.59047 143.1038 24.33510 -23.38625      41.47911 
1 1 1 17  10 21 o 274.3866 11.75652 2225.266       188.7489 2034.141       286.4438 2371.937       250.9302 260.6790 18.86386 282.5671 15.19784 -21.88818      24.22436 
1 1 1 17  10 22 o 221.6163 14.19330 1458.682       183.5044 1477.833       292.1769 1446.207       235.8167 220.8764 22.88641 219.7027 18.47251 1.173706       29.41125 
1 1 1 17  10 23 o 237.7217 14.36289 1677.995       199.3106 1606.435       311.9825 1727.341       259.0703 230.2085 23.43413 240.2269 18.53162 -10.01840      29.87606 
1 1 1 17  10 24 o 231.9781 13.81611 1597.147       187.1162 1740.758       297.3829 1503.029       240.7457 240.2995 21.32259 223.9438 18.49503 16.35570       28.22621 
1 1 1 17  10 25 o 156.7724 17.60728 740.2858       159.0924 893.3350       284.2385 670.4650       191.9816 168.7424 29.81149 147.7389 22.89760 21.00348       37.59023 
1 1 1 17  10 26 o 343.8231 9.856585 3487.156       198.5471 3618.738       344.0165 3421.436       243.1262 348.2774 16.89277 340.0262 12.21166 8.251221       20.84443 
1 1 1 17  10 27 o 248.6068 11.95079 1831.723       173.7347 1923.923       289.4389 1779.793       217.2185 252.5592 19.69649 244.2411 15.24043 8.318100       24.90427 
1 1 1 17  10 28 o 134.0874 20.02578 551.7745       152.6622 768.5635       259.9866 437.6915       188.6005 155.3165 29.62260 117.0482 27.87536 38.26830       40.67597 
1 1 1 17  10 29 o 163.6824 15.81843 806.4286       149.9604 786.1833       257.2806 816.8456       184.5514 157.0718 28.99716 163.6356 19.62124 -6.563828      35.01183 
1 1 1 17  10 30 o 260.7755 10.69385 2014.535       163.2033 2197.386       275.7238 1915.922       202.4842 270.1288 17.49831 253.4854 13.67091 16.64334       22.20551 
1 1 1 17  10 31 o 279.0873 16.08672 2341.039       262.1887 2092.257       289.2586 3486.699       620.7328 262.5661 18.91108 329.2338 32.57419 -66.66769      37.66573 
1 1 1 17  10 32 o 272.1340 10.17761 2196.285       162.1486 2347.712       277.8792 2118.104       199.6664 278.5761 17.09059 266.3634 12.81908 12.21271       21.36392 
1 1 1 17  10 33 o 49.48381 21.85486 -25.39409      124.4035 -71.52055      204.6343 1.647256       156.6815 60.28799 27.22243 57.99507 25.08870 2.292927       37.02032 
1 1 1 17  10 34 o 100.2312 22.16799 325.0176       126.8496 325.4492       202.6420 324.7394       162.6611 98.32258 31.25573 98.63346 27.22763 -0.3108826     41.45195 
1 1 1 17  10 35 o 124.0945 17.32779 479.9818       122.6753 373.8921       194.0783 550.5728       158.3125 104.1708 30.08858 131.2100 21.30298 -27.03918      36.86652 
1 1 1 17  10 36 o 144.2660 14.73798 638.1738       122.9460 764.8457       200.9590 562.3992       155.4281 153.6232 23.01238 132.6166 20.65650 21.00662       30.92346 
1 1 1 17  10 37 o 85.74326 23.50318 245.4884       121.6884 320.8320       208.9623 206.8258       149.6891 95.61557 31.83683 79.60411 26.95008 16.01146       41.71199 
1 1 1 17  10 38 o 63.13399 24.00871 107.0876       122.8534 -3.435555      208.9312 165.4967       151.8857 63.33979 28.13044 73.44720 26.93891 -10.10741      38.94903 
1 1 1 17  10 39 o 63.80203 24.56853 108.5469       129.7211 16.77088       217.4238 159.2725       161.6426 65.41897 28.89263 72.94771 27.58565 -7.528740      39.94687 
1 1 1 17  10 40 o 67.25731 25.24263 133.6817       134.7833 103.4654       224.7651 150.6486       168.4259 72.10509 30.59215 71.91772 27.91347 0.1873627      41.41306 
1 1 1 17  10 41 o 150.1532 16.76214 714.8827       145.0948 825.9755       255.8410 662.2099       176.1652 150.1097 30.10950 140.7693 22.06274 9.340378       37.32756 
1 1 1 17  10 42 o 65.73254 25.62158 121.8016       142.3769 -26.14382      260.8903 184.5526       169.9094 66.03019 30.17444 75.12405 28.31021 -9.093857      41.37590 
1 1 1 17  10 43 o 74.30504 26.72080 188.1401       148.4382 288.8425       254.1923 136.0293       182.8548 87.61130 34.21026 70.12027 28.46678 17.49103       44.50505 
1 1 1 17  10 44 o 130.6725 20.97985 572.9805       155.3418 724.9308       275.0865 501.8392       188.2258 133.0347 34.84843 116.5326 27.90947 16.50209       44.64697 
1 1 1 17  11 0  o 501.0314 15.58212 7404.138       457.3132 0.000000       0.000000 7404.138       457.3132 ?        ?        501.0314 15.58212 0.000000       15.58212 
1 1 1 17  11 1  o 536.4195 14.47764 8479.663       455.0463 9215.331       654.0198 7789.359       633.5344 557.9827 20.01815 512.6658 21.11621 45.31696       29.09675 
1 1 1 17  11 2  o 472.7877 13.78874 6585.792       381.9242 6694.828       513.3987 6450.677       571.5065 475.8096 18.43289 466.4695 20.94385 9.340057       27.90011 
1 1 1 17  11 3  o 262.2704 13.92376 2030.869       213.4014 2250.318       267.8423 1649.417       353.1274 275.7299 16.64067 234.1053 26.16695 41.62462       31.01002 
1 1 1 17  11 4  o 130.9476 24.67349 525.4978       182.5377 599.3480       219.4227 359.5299       328.9407 139.4471 27.80593 114.3888 39.90546 25.05830       48.63759 
1 1 1 17  11 5  o 531.0063 20.13750 8354.228       625.9911 8354.228       625.9911 0.000000       0.000000 531.0063 20.13750 ?        ?        0.000000       20.13750 
1 1 1 17  11 6  o 483.0235 19.16308 6910.029       541.7778 6910.029       541.7778 0.000000       0.000000 483.0235 19.16308 ?        ?        0.000000       19.16308 
1 1 1 17  11 7  o 113.2533 33.45341 392.9225       237.5676 392.9225       237.5676 0.000000       0.000000 113.2533 33.45341 ?        ?        0.000000       33.45341 
1 1 1 17  11 8  o 212.7828 17.63456 1347.137       218.0907 1347.137       218.0907 0.000000       0.000000 212.7828 17.63456 ?        ?        0.000000       17.63456 
1 1 1 17  11 9  o 267.0790 19.89275 2125.304       309.3534 2125.304       309.3534 0.000000       0.000000 267.0790 19.89275 ?        ?        0.000000       19.89275 
1 1 1 17  11 10 o 272.2913 19.69683 2209.344       312.4172 2209.344       312.4172 0.000000       0.000000 272.2913 19.69683 ?        ?        0.000000       19.69683 
1 1 1 17  11 11 o 428.7448 13.30185 5424.563       334.0687 5424.563       334.0687 0.000000       0.000000 428.7448 13.30185 ?        ?        0.000000       13.30185 
1 1 1 17  11 12 o 407.1941 18.93268 4928.717       450.8930 4928.717       450.8930 0.000000       0.000000 407.1941 18.93268 ?        ?        0.000000       18.93268 
1 1 1 17  11 13 o 390.4291 19.24018 4537.049       439.1998 4537.049       439.1998 0.000000       0.000000 390.4291 19.24018 ?        ?        0.000000       19.24018 
1 1 1 17  11 14 o 358.0724 12.08838 3783.852       253.4931 3643.563       379.0727 3897.335       340.9387 349.8568 18.54108 362.5295 16.07547 -12.67270      24.53961 
1 1 1 17  11 15 o 290.8709 11.32723 2496.819       192.8605 2342.609       241.4967 2768.334       320.4435 281.1141 14.69906 304.8664 18.00234 -23.75226      23.24106 
1 1 1 17  11 16 o 240.6692 21.37065 1742.805       298.5070 1742.805       298.5070 0.000000       0.000000 240.6692 21.37065 ?        ?        0.000000       21.37065 
1 1 1 17  11 17 o 297.4864 10.85599 2611.560       189.0854 2646.875       249.1343 2563.577       290.3977 298.8156 14.25720 293.4112 16.94798 5.404449       22.14728 
1 1 1 17  11 18 o 235.3005 12.94240 1640.327       177.9149 1646.760       260.7034 1634.720       243.4058 234.3566 19.13429 233.8163 17.88607 0.5403137      26.19222 
1 1 1 17  11 19 o 59.58559 25.17333 14.47092       151.1192 33.71864       235.5451 1.005815       197.0104 74.67416 31.48164 66.23729 28.38710 8.436867       42.39011 
1 1 1 17  11 20 o 344.9680 10.38141 3509.561       209.7931 4038.022       338.4473 3179.799       267.3529 368.7399 15.68605 327.5875 13.94769 41.15244       20.99024 
1 1 1 17  11 21 o 221.9824 13.57607 1462.025       175.8981 1208.627       266.1613 1658.511       234.3745 199.4217 23.18938 235.7149 17.06966 -36.29318      28.79445 
1 1 1 17  11 22 o 40.89087 20.15491 -365.2533      172.4718 -126.6142      268.5057 -532.8776      225.0356 68.77458 31.10635 44.87380 22.27895 23.90078       38.26168 
1 1 1 17  11 23 o 232.6968 14.77066 1609.518       200.5365 1790.150       326.1020 1499.669       254.3053 243.1712 23.14480 223.4238 19.60631 19.74742       30.33297 
1 1 1 17  11 24 o 193.4757 15.76170 1117.524       177.2982 850.0729       289.9178 1277.303       224.0853 164.1381 31.25848 206.2114 18.73315 -42.07333      36.44206 
1 1 1 17  11 25 o 181.1993 15.20645 980.7208       160.1082 731.7531       283.0311 1097.886       194.1607 151.2425 32.85098 191.2451 17.50486 -40.00258      37.22374 
1 1 1 17  11 26 o 157.9168 17.41882 752.0461       158.6463 897.1518       295.2585 693.1495       188.1071 168.1831 31.07888 150.2947 21.99157 17.88838       38.07264 
1 1 1 17  11 27 o 306.7003 11.07333 2782.918       198.8519 2403.164       308.4274 3053.065       260.1371 282.6335 18.71247 320.4668 13.87391 -37.83328      23.29467 
1 1 1 17  11 28 o 477.3716 9.918151 6726.740       277.6757 6755.630       451.6255 6709.181       352.0876 475.5198 16.21793 475.6118 12.63375 -0.9204102E-01 20.55804 
1 1 1 17  11 29 o 58.52195 24.38075 30.77777       138.7292 343.4366       239.9413 -126.2269      170.0302 104.5598 34.08286 51.58129 23.85681 52.97846       41.60275 
1 1 1 17  11 30 o 48.73660 22.20711 -78.87156      139.9924 49.75619       253.3681 -135.3955      167.9581 76.93509 32.55370 50.51265 23.48250 26.42244       40.13939 
1 1 1 17  11 31 o 133.0567 19.74649 547.3918       149.4236 316.4789       254.4657 668.9154       184.6016 101.1058 35.10900 146.4389 22.18890 -45.33313      41.53299 
1 1 1 17  11 32 o 42.06587 20.00776 -158.0744      134.8779 -185.9792      235.6425 -144.4775      164.4880 58.87092 27.51616 48.92948 22.90845 9.941444       35.80414 
1 1 1 17  11 33 o 113.2144 20.34980 405.2700       130.1511 334.8359       213.9124 446.6696       163.9996 100.2101 32.14108 117.2327 24.63699 -17.02258      40.49729 
1 1 1 17  11 34 o 144.7703 16.32251 645.0884       136.1723 471.9227       217.0576 757.4745       174.8639 116.8339 31.12166 155.4699 19.61363 -38.63601      36.78658 
1 1 1 17  11 35 o 114.0134 19.03978 411.9475       122.8252 407.8528       195.0302 414.6391       158.1215 108.5509 29.75433 111.7603 24.77496 -3.209419      38.71846 
1 1 1 17  11 36 o 95.11913 21.76093 296.6255       118.7550 336.3083       203.2010 276.0414       146.3491 98.14552 31.31008 90.43311 26.13040 7.712418       40.78136 
1 1 1 17  11 37 o 104.8613 19.47668 354.4929       115.3707 202.8341       192.3989 439.6426       144.1652 80.82350 30.19498 115.7211 22.04687 -34.89760      37.38718 
1 1 1 17  11 38 o 172.0643 13.28367 904.9166       133.0105 908.3508       233.3696 903.2642       161.8773 164.4540 24.98098 170.1122 16.42979 -5.658173      29.89962 
1 1 1 17  11 39 o 79.08696 25.25368 212.4360       132.1681 348.3315       238.9245 152.5146       158.6534 96.64418 33.98803 71.75704 27.28454 24.88714       43.58477 
1 1 1 17  11 40 o 115.1182 21.30152 440.7288       138.5198 377.7353       236.5348 473.6088       170.8887 99.00491 33.87148 116.4370 25.71272 -17.43207      42.52554 
1 1 1 17  11 41 o 67.29899 25.53575 135.3478       138.7894 -8.697864      254.8946 196.0513       165.4692 66.61453 30.20064 76.53803 28.11023 -9.923500      41.25850 
1 1 1 17  11 42 o 183.5134 15.37017 1056.340       163.9052 1255.332       304.5741 975.2194       194.4651 186.2957 28.80496 172.9341 19.51430 13.36163       34.79273 
1 1 1 17  11 43 o 58.27425 25.22313 37.54048       158.5368 -134.5149      331.1360 88.70673       180.5777 66.89028 31.67934 65.34084 27.55671 1.549438       41.98753 
1 1 1 17  11 44 o 61.18717 25.72832 72.91796       156.6669 121.6742       293.3148 53.45597       185.3158 76.09466 33.58511 62.59649 27.18123 13.49817       43.20623 
1 1 1 17  12 0  o 352.8621 12.48272 3668.177       257.9170 3878.979       335.0807 3361.720       404.0139 362.3733 15.80478 336.4165 20.57551 25.95673       25.94500 
1 1 1 17  12 1  o 262.6647 12.47747 2034.615       191.6617 2001.003       234.4192 2102.388       332.8711 260.0901 15.43749 265.5544 21.55859 -5.464203      26.51583 
1 1 1 17  12 2  o 338.0472 12.50379 3367.279       247.4687 3548.161       317.0090 3085.082       395.9592 346.5555 15.63755 322.0911 21.07724 24.46432       26.24467 
1 1 1 17  12 3  o 398.7963 12.83494 4685.946       299.7986 4667.600       389.9338 4712.468       468.8488 397.3456 16.77064 398.5473 20.12380 -1.201691      26.19583 
1 1 1 17  12 4  o 175.0860 17.94495 914.9742       181.6611 960.3050       216.9119 808.5011       332.4350 178.8369 21.08610 160.5828 36.17027 18.25412       41.86779 
1 1 1 17  12 5  o 457.1229 13.49174 6159.927       361.3068 6462.328       496.3629 5819.126       526.9363 467.2346 18.14849 442.7958 20.34540 24.43878       27.26359 
1 1 1 17  12 6  o 260.6520 17.51072 2016.505       266.1266 2016.505       266.1266 0.000000       0.000000 260.6520 17.51072 ?        ?        0.000000       17.51072 
1 1 1 17  12 7  o 341.4556 12.99329 3439.082       259.7233 3439.082       259.7233 0.000000       0.000000 341.4556 12.99329 ?        ?        0.000000       12.99329 
1 1 1 17  12 8  o 434.4998 12.74550 5565.741       324.4346 5565.741       324.4346 0.000000       0.000000 434.4998 12.74550 ?        ?        0.000000       12.74550 
1 1 1 17  12 9  o 449.5051 18.61351 5995.152       489.6354 5995.152       489.6354 0.000000       0.000000 449.5051 18.61351 ?        ?        0.000000       18.61351 
1 1 1 17  12 10 o 256.6301 15.43348 1952.350       231.2121 1952.350       231.2121 0.000000       0.000000 256.6301 15.43348 ?        ?        0.000000       15.43348 
1 1 1 17  12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  12 12 f 407.7217 13.17697 4908.810       314.6727 4908.810       314.6727 0.000000       0.000000 407.7217 13.17697 ?        ?        0.000000       13.17697 
1 1 1 17  12 13 o 1126.938 38.67458 39293.65       2552.303 39293.65       2552.303 0.000000       0.000000 1126.938 38.67458 ?        ?        0.000000       38.67458 
1 1 1 17  12 14 o 376.4792 18.78432 4222.020       413.4406 4222.020       413.4406 0.000000       0.000000 376.4792 18.78432 ?        ?        0.000000       18.78432 
1 1 1 17  12 15 o 413.8764 11.32623 5052.763       274.6617 4553.114       374.8531 5631.982       403.5985 391.5993 16.35785 435.7704 15.81840 -44.17102      22.75524 
1 1 1 17  12 16 o 275.8290 11.10590 2246.258       179.2897 2405.509       234.3871 2021.663       278.3512 284.8795 14.07241 260.0939 18.36598 24.78561       23.13746 
1 1 1 17  12 17 o 133.7562 20.45299 545.7231       155.3538 594.5432       197.4523 466.3926       251.6996 138.4873 25.24062 121.2488 34.01954 17.23849       42.36057 
1 1 1 17  12 18 o 448.0332 9.250113 5908.867       243.0568 6103.622       327.3461 5669.562       362.8588 454.5298 12.29117 437.5225 14.15987 17.00723       18.75032 
1 1 1 17  12 19 o 125.3210 22.08617 483.6087       156.3996 146.0797       236.7186 745.0903       208.3518 84.61487 33.02120 155.8634 23.52484 -71.24852      40.54403 
1 1 1 17  12 20 o 325.3091 10.89065 3123.056       207.4856 3251.782       331.3091 3039.992       266.1388 330.4174 17.15576 320.2346 14.20600 10.18283       22.27398 
1 1 1 17  12 21 o 140.1190 21.44939 599.9624       170.6633 267.0540       291.5744 773.4521       210.4863 101.2707 37.29419 158.9743 23.26455 -57.70357      43.95562 
1 1 1 17  12 22 o 242.5863 13.91995 1745.973       197.2092 1708.357       315.6492 1770.057       252.5713 237.5988 22.93698 243.3639 17.81961 -5.765076      29.04555 
1 1 1 17  12 23 o 196.1358 15.56370 1147.469       177.5608 1246.030       306.4063 1097.637       217.8725 201.3382 26.59907 190.8135 19.75434 10.52478       33.13223 
1 1 1 17  12 24 o 161.6604 17.36395 786.1705       162.0502 867.6710       281.8037 745.9051       198.0762 166.1429 30.02590 156.1575 22.25738 9.985443       37.37574 
1 1 1 17  12 25 o 259.3076 11.53855 1989.563       175.0362 2010.603       322.6454 1980.789       208.3631 257.8562 21.53160 258.2359 13.80815 -0.3797607     25.57880 
1 1 1 17  12 26 o 213.0395 13.22334 1349.592       164.4015 1399.605       294.0659 1326.853       198.2832 213.7246 23.86758 210.5060 16.18510 3.218582       28.83780 
1 1 1 17  12 27 o 236.5681 12.51085 1662.256       172.9604 1580.500       304.9190 1701.041       210.0164 227.1622 23.21347 238.6378 15.08312 -11.47563      27.68331 
1 1 1 17  12 28 o 44.86236 21.00380 -130.1444      138.2607 -367.9984      263.0658 -39.36698      162.5167 55.98224 26.97321 56.40950 24.94346 -0.4272614     36.73868 
1 1 1 17  12 29 o 41.54161 19.96508 -200.2454      142.0206 -148.8360      238.7538 -228.3969      176.6769 62.05026 28.54445 47.13948 22.55249 14.91078       36.37857 
1 1 1 17  12 30 o 200.5121 12.92618 1200.072       151.1964 1340.591       278.6810 1141.457       179.9896 208.0859 23.23157 194.6530 15.90506 13.43285       28.15452 
1 1 1 17  12 31 o 142.8073 18.47569 626.3757       151.1167 561.2900       249.2784 664.1921       190.0124 129.5569 32.78555 145.3920 23.05207 -15.83510      40.07854 
1 1 1 17  12 32 o 85.92575 24.12568 237.7405       126.5390 105.0135       232.0855 293.8871       150.9491 77.51143 31.84021 94.90363 26.24112 -17.39220      41.26010 
1 1 1 17  12 33 o 105.3111 21.84519 356.6821       130.4934 294.6060       217.0191 391.8370       163.3160 94.91258 32.44481 108.8624 25.94857 -13.94983      41.54509 
1 1 1 17  12 34 o 85.64849 24.72992 241.4980       131.1263 363.7141       222.3286 176.3099       162.3735 102.5020 32.75607 77.06075 27.91562 25.44122       43.03768 
1 1 1 17  12 35 o 67.15202 24.52818 128.0902       125.7188 -39.75255      212.1776 218.8955       156.0643 62.33705 27.96973 82.08520 27.51716 -19.74815      39.23646 
1 1 1 17  12 36 o 163.9415 13.79824 820.0481       131.4369 828.4849       234.4211 816.1797       158.7349 157.2336 26.35312 161.9749 16.96110 -4.741318      31.33953 
1 1 1 17  12 37 o 51.82055 22.33440 11.70770       123.2632 -212.4018      217.5401 117.6864       149.5955 52.87248 25.22102 67.36661 26.26176 -14.49413      36.41126 
1 1 1 17  12 38 o 63.03913 23.98942 107.6557       122.7093 195.8052       227.1066 71.31065       145.8286 81.18613 32.14250 61.34623 25.22366 19.83990       40.85796 
1 1 1 17  12 39 o 78.80623 24.83584 211.4447       128.1930 285.0932       224.7197 175.9161       156.0803 89.44127 32.77359 74.39513 27.30477 15.04614       42.65746 
1 1 1 17  12 40 o 111.8476 22.10171 421.1463       139.8356 544.9397       241.1519 358.4355       171.6379 118.3868 33.32841 99.26627 28.17671 19.12051       43.64298 
1 1 1 17  12 41 o 87.05269 24.77124 267.0212       132.4921 450.1789       244.0128 190.4476       157.7754 105.8112 34.36227 75.43279 27.48949 30.37841       44.00497 
1 1 1 17  12 42 o 46.58575 21.49397 -67.14856      136.8013 -77.45482      260.6732 -63.23115      160.7110 62.99600 29.27513 50.93060 23.42548 12.06541       37.49382 
1 1 1 17  12 43 o 137.8778 20.10234 630.5744       157.7707 560.7423       294.1628 658.7741       186.9314 112.6122 37.77892 137.7484 24.01148 -25.13618      44.76380 
1 1 1 17  12 44 o 54.12873 23.89534 8.691090       148.5550 273.4122       294.5220 -81.63828      172.0434 86.01532 35.65281 51.13892 23.77117 34.87640       42.85080 
1 1 1 17  13 0  o 351.0739 12.17664 3631.544       250.3332 3916.047       327.8632 3233.823       387.6489 364.0748 15.38977 329.8716 20.13337 34.20319       25.34162 
1 1 1 17  13 1  o 483.3489 13.52445 6886.724       383.0042 7435.544       538.7768 6326.040       544.5693 501.1666 18.36162 461.7553 20.15758 39.41132       27.26678 
1 1 1 17  13 2  o 297.5184 12.09840 2609.323       210.6617 2672.785       262.9067 2495.493       352.1059 300.7091 14.95441 289.4349 20.88343 11.27423       25.68564 
1 1 1 17  13 3  o 456.2668 20.37483 6180.505       543.8342 0.000000       0.000000 6180.505       543.8342 ?        ?        456.2668 20.37483 0.000000       20.37483 
1 1 1 17  13 4  o 411.9662 19.97682 5039.692       481.2180 0.000000       0.000000 5039.692       481.2180 ?        ?        411.9662 19.97682 0.000000       19.97682 
1 1 1 17  13 5  o 163.1502 17.11260 795.0717       161.3059 791.2451       190.2258 804.8654       304.3260 162.1203 20.46189 160.5003 33.41811 1.620041       39.18494 
1 1 1 17  13 6  o 52.72513 24.09448 -108.5770      166.3511 -108.5770      166.3511 0.000000       0.000000 52.72513 24.09448 ?        ?        0.000000       24.09448 
1 1 1 17  13 7  o 257.5057 13.50600 1960.000       203.2559 1960.000       203.2559 0.000000       0.000000 257.5057 13.50600 ?        ?        0.000000       13.50600 
1 1 1 17  13 8  o 586.4773 13.67409 10143.37       470.3273 10143.37       470.3273 0.000000       0.000000 586.4773 13.67409 ?        ?        0.000000       13.67409 
1 1 1 17  13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  13 10 o 719.8398 20.04924 15410.04       845.5925 15410.04       845.5925 0.000000       0.000000 719.8398 20.04924 ?        ?        0.000000       20.04924 
1 1 1 17  13 11 o 578.5085 21.39240 9983.267       724.5546 9983.267       724.5546 0.000000       0.000000 578.5085 21.39240 ?        ?        0.000000       21.39240 
1 1 1 17  13 12 o 270.6243 14.23906 2169.355       225.1998 2169.355       225.1998 0.000000       0.000000 270.6243 14.23906 ?        ?        0.000000       14.23906 
1 1 1 17  13 13 o 321.4926 18.62896 3080.903       349.7406 3080.903       349.7406 0.000000       0.000000 321.4926 18.62896 ?        ?        0.000000       18.62896 
1 1 1 17  13 14 o 689.6599 14.92712 14073.31       603.7559 14073.31       603.7559 0.000000       0.000000 689.6599 14.92712 ?        ?        0.000000       14.92712 
1 1 1 17  13 15 o 401.8567 11.98668 4768.537       282.1856 5183.825       462.7656 4522.714       356.0387 416.8597 18.97848 390.4154 15.58091 26.44431       24.55499 
1 1 1 17  13 16 o 39.79827 19.48839 -293.2629      153.0331 -274.3690      195.4827 -323.1715      245.9494 48.94775 23.49818 55.61389 26.60739 -6.666142      35.49814 
1 1 1 17  13 17 o 315.2161 10.16480 2930.186       187.6678 2906.543       244.5947 2964.025       292.6201 313.3025 13.34222 315.7657 15.85184 -2.463226      20.71946 
1 1 1 17  13 18 o 376.2295 9.454511 4170.118       208.4482 4227.224       282.7736 4102.155       308.4819 378.0773 12.77120 372.0753 14.16256 6.001984       19.07044 
1 1 1 17  13 19 o 409.9989 9.487225 4949.204       228.1247 4921.504       310.1224 4981.864       336.7549 407.9346 12.97911 410.1418 14.02066 -2.207184      19.10592 
1 1 1 17  13 20 o 170.7429 17.67771 875.5322       174.4610 1008.890       295.6184 804.2640       216.1073 180.1639 28.95891 162.1170 23.40649 18.04689       37.23550 
1 1 1 17  13 21 o 180.3886 18.22890 977.5206       190.2069 878.2151       310.4868 1037.178       240.6506 166.5418 32.95566 184.7000 22.69256 -18.15826      40.01284 
1 1 1 17  13 22 o 114.8128 27.49547 415.0264       182.6940 263.7369       297.3152 506.8052       231.5709 101.3221 37.59696 126.2790 31.40062 -24.95694      48.98500 
1 1 1 17  13 23 o 86.47807 28.50747 220.0308       167.6590 444.8416       307.0065 124.4911       200.1386 119.5606 38.51991 78.10254 30.39613 41.45808       49.06840 
1 1 1 17  13 24 o 361.0776 10.14587 3846.510       214.6394 3699.565       357.8763 3929.063       268.2386 352.0397 17.38748 364.3453 12.57212 -12.30563      21.45653 
1 1 1 17  13 25 o 336.7580 10.07790 3347.408       198.8151 3198.844       329.8279 3432.197       249.1716 327.1270 17.25276 340.4029 12.50240 -13.27585      21.30652 
1 1 1 17  13 26 o 160.1510 16.47886 772.5498       152.5709 1242.249       302.3244 612.0500       176.7260 199.9892 26.42182 140.7815 22.13417 59.20763       34.46787 
1 1 1 17  13 27 o 202.0822 13.25193 1216.766       156.1905 1321.314       278.2910 1168.690       188.7163 207.3385 23.28806 197.1821 16.46919 10.15639       28.52311 
1 1 1 17  13 28 o 167.7575 15.03193 845.1013       146.3269 533.2042       261.4912 987.2934       176.5587 127.2697 34.27399 180.9103 16.83402 -53.64064      38.18495 
1 1 1 17  13 29 o 77.17695 25.94048 175.6910       138.6849 201.2249       250.7781 164.4416       166.4547 89.65736 34.25209 77.98611 28.26238 11.67124       44.40685 
1 1 1 17  13 30 o 242.3693 11.51724 1746.530       163.2421 2005.932       295.3535 1632.435       195.8796 256.4635 19.78955 233.4026 14.37959 23.06090       24.46219 
1 1 1 17  13 31 o 37.40985 18.26272 -232.5623      131.3834 -517.3134      242.6303 -114.4294      156.2780 47.33610 23.43673 49.23048 22.80525 -1.894379      32.70107 
1 1 1 17  13 32 o 307.6090 9.387094 2807.057       169.1501 3100.926       305.0771 2676.619       203.2524 319.6562 16.32740 299.4633 11.59479 20.19281       20.02556 
1 1 1 17  13 33 o 39.41392 18.73869 -134.7572      118.0660 -40.49857      217.4907 -174.1404      140.5839 63.63214 28.45158 42.02544 20.10896 21.60671       34.84053 
1 1 1 17  13 34 o 158.0693 15.17511 765.2678       138.9531 483.8581       238.5368 909.8058       170.9531 116.5570 33.26095 171.4518 17.23494 -54.89481      37.46110 
1 1 1 17  13 35 o 88.41689 32.15382 253.0598       215.7003 423.0139       236.4624 -589.2430      526.4174 108.4293 33.66610 74.94471 36.57986 33.48460       49.71411 
1 1 1 17  13 36 o 179.9849 13.06202 984.8019       136.9404 967.2916       252.9049 992.0654       162.8846 169.8057 26.24042 179.2918 15.64725 -9.486099      30.55153 
1 1 1 17  13 37 o 56.90292 23.51537 53.10798       127.5989 -73.56894      237.5234 104.4956       151.2819 62.49327 28.64568 65.82044 26.17737 -3.327171      38.80502 
1 1 1 17  13 38 o 49.06671 21.66667 -11.74234      122.2167 -290.1296      240.9168 84.72787       141.8205 52.62721 25.46824 62.19760 25.13538 -9.570389      35.78294 
1 1 1 17  13 39 o 171.4532 14.13277 908.2156       140.8488 810.9808       261.7550 947.8436       167.1032 148.5705 31.04288 173.5229 16.62319 -24.95245      35.21350 
1 1 1 17  13 40 o 64.73450 24.55549 121.7127       128.3157 229.1297       257.5440 86.24395       147.9918 83.79390 33.86877 62.39887 25.50531 21.39503       42.39828 
1 1 1 17  13 41 o 119.8659 20.69715 478.2690       140.2399 465.0751       249.5228 484.3611       169.5530 106.9425 34.74943 117.2458 25.39414 -10.30329      43.03934 
1 1 1 17  13 42 o 122.9206 19.48307 498.6201       135.7748 1056.242       273.0916 315.5266       156.4858 170.5422 28.29519 92.69094 27.08959 77.85130       39.17223 
1 1 1 17  13 43 o 89.01648 25.69034 286.8367       141.5399 168.8125       283.3385 326.0825       163.3865 78.72339 33.89496 93.57303 27.76938 -14.84964      43.81788 
1 1 1 17  14 0  o 487.7664 20.04384 7063.679       572.1595 0.000000       0.000000 7063.679       572.1595 ?        ?        487.7664 20.04384 0.000000       20.04384 
1 1 1 17  14 1  o 509.9528 13.68930 7669.938       409.0426 8048.633       573.6235 7278.158       583.4489 521.0790 18.80119 495.0827 20.13640 25.99634       27.54921 
1 1 1 17  14 2  o 394.0377 12.31898 4576.382       284.3341 4814.718       378.6118 4268.091       430.6057 403.4706 16.03235 379.0653 19.43423 24.40527       25.19376 
1 1 1 17  14 3  o 201.0437 13.06517 1195.841       153.2136 1186.272       177.4082 1223.921       303.9107 199.9133 15.24649 200.7162 26.46137 -0.8029480     30.53948 
1 1 1 17  14 4  o 388.4836 12.16584 4448.629       276.8404 4512.519       367.0724 4364.354       421.5872 390.5171 16.06161 383.4011 18.80662 7.115936       24.73185 
1 1 1 17  14 5  o 156.8197 16.35388 734.5275       148.2006 653.7354       170.9539 978.8837       297.3078 147.0689 20.36614 178.2579 29.46720 -31.18898      35.82032 
1 1 1 17  14 6  o 360.1229 10.16674 3818.005       214.5103 3735.402       247.2331 4069.565       431.4487 355.9492 11.85973 369.7627 19.96963 -13.81348      23.22583 
1 1 1 17  14 7  o 409.3375 17.43754 4969.649       417.6584 4969.649       417.6584 0.000000       0.000000 409.3375 17.43754 ?        ?        0.000000       17.43754 
1 1 1 17  14 8  o 78.97620 27.32545 170.7782       154.0818 170.7782       154.0818 0.000000       0.000000 78.97620 27.32545 ?        ?        0.000000       27.32545 
1 1 1 17  14 9  o 238.2170 14.24459 1681.481       198.1002 1681.481       198.1002 0.000000       0.000000 238.2170 14.24459 ?        ?        0.000000       14.24459 
1 1 1 17  14 10 o 294.2261 12.50357 2557.216       215.2654 2557.216       215.2654 0.000000       0.000000 294.2261 12.50357 ?        ?        0.000000       12.50357 
1 1 1 17  14 11 o 295.6064 13.82577 2586.146       239.0281 2586.146       239.0281 0.000000       0.000000 295.6064 13.82577 ?        ?        0.000000       13.82577 
1 1 1 17  14 12 o 505.3579 19.80888 7614.159       585.9594 7614.159       585.9594 0.000000       0.000000 505.3579 19.80888 ?        ?        0.000000       19.80888 
1 1 1 17  14 13 o 144.1390 25.63380 642.8266       208.7515 642.8266       208.7515 0.000000       0.000000 144.1390 25.63380 ?        ?        0.000000       25.63380 
1 1 1 17  14 14 o 425.4149 17.82038 5388.032       443.6265 5388.032       443.6265 0.000000       0.000000 425.4149 17.82038 ?        ?        0.000000       17.82038 
1 1 1 17  14 15 o 178.2944 28.83099 987.7502       291.1883 987.7502       291.1883 0.000000       0.000000 178.2944 28.83099 ?        ?        0.000000       28.83099 
1 1 1 17  14 16 o 248.8333 11.72670 1830.917       170.6520 1741.196       218.5358 1971.123       273.1868 241.8912 15.48600 256.7212 18.26387 -14.82997      23.94547 
1 1 1 17  14 17 o 169.1447 16.09244 856.1683       157.7149 801.8660       208.0670 929.5055       241.7998 162.0814 22.49416 174.1763 24.33424 -12.09489      33.13824 
1 1 1 17  14 18 o 137.5323 18.73901 573.2535       147.2203 562.8810       212.7643 582.7816       203.9193 133.8917 27.99739 136.7155 26.38837 -2.823746      38.47337 
1 1 1 17  14 19 o 291.3062 10.77059 2504.622       183.6924 2592.378       261.0550 2418.560       258.5241 295.4549 15.11597 285.2560 15.51146 10.19891       21.65867 
1 1 1 17  14 20 o 251.8861 12.65552 1878.283       186.3551 1711.669       267.5063 2035.383       259.7564 238.9157 19.25439 261.2522 17.04646 -22.33643      25.71601 
1 1 1 17  14 21 o 162.2569 20.34183 797.8973       189.3299 664.4076       305.8901 880.7941       241.0518 143.6290 36.30243 169.2785 25.03454 -25.64951      44.09755 
1 1 1 17  14 22 o 58.69367 25.97818 -49.03532      176.6863 274.5858       314.3977 -198.4238      213.6090 103.4899 38.61155 55.86747 26.14028 47.62240       46.62795 
1 1 1 17  14 23 o 285.7086 11.69236 2414.211       195.5047 2259.950       333.4292 2495.033       241.3456 273.8481 20.91910 289.8696 14.24025 -16.02145      25.30600 
1 1 1 17  14 24 o 177.5181 15.63644 943.3016       161.1291 616.3691       286.1166 1095.144       194.9892 137.8234 35.25837 190.8767 17.61701 -53.05336      39.41461 
1 1 1 17  14 25 o 190.7251 13.98824 1084.906       155.3783 1320.138       299.6844 998.4255       181.7090 206.8819 25.22029 182.1254 17.21634 24.75645       30.53630 
1 1 1 17  14 26 o 184.6807 13.98126 1018.593       150.3073 1121.920       286.3105 979.2814       176.6006 189.7104 26.45159 180.3090 16.89715 9.401398       31.38791 
1 1 1 17  14 27 o 163.2052 14.74314 799.2162       139.5953 747.9444       278.7422 816.3802       161.2773 151.7321 32.31469 164.3658 16.97451 -12.63361      36.50168 
1 1 1 17  14 28 o 223.9710 11.39543 1489.093       149.1913 1585.777       282.9246 1451.853       175.5877 227.7348 21.43525 220.5648 13.64073 7.170013       25.40747 
1 1 1 17  14 29 o 130.5616 18.14842 522.5455       135.2130 825.5579       276.3961 427.2155       155.0303 159.4599 30.66842 116.1544 23.56449 43.30555       38.67605 
1 1 1 17  14 30 f 67.30120 25.12040 113.5374       133.1036 225.6464       257.7493 72.76842       155.4325 91.69733 34.79784 65.32317 26.34407 26.37416       43.64516 
1 1 1 17  14 31 o 231.8795 10.86619 1600.984       147.3603 1474.732       264.3382 1657.911       177.5002 218.0989 20.92227 235.2452 12.91508 -17.14629      24.58741 
1 1 1 17  14 32 o 38.66909 18.43463 -139.5665      115.8563 -113.6551      217.4475 -149.8381      136.9071 59.31163 27.26870 42.72488 20.27406 16.58675       33.97969 
1 1 1 17  14 33 o 150.0484 15.46590 690.1418       134.1522 445.7916       241.1767 799.6163       161.4305 112.2385 33.84029 160.7298 17.40259 -48.49123      38.05280 
1 1 1 17  14 34 o 59.00801 23.59705 69.79478       123.5987 -53.81346      234.8716 117.1352       145.3527 64.52866 29.14828 67.67509 26.02052 -3.146439      39.07288 
1 1 1 17  14 35 o 106.5215 20.65924 367.5089       124.4047 9.364120       236.3085 504.8263       146.3231 68.37762 30.16364 125.2975 20.62955 -56.91992      36.54344 
1 1 1 17  14 36 o 48.22327 23.57444 -343.5146      221.1538 -442.3532      251.4154 -5.481649      464.9519 49.37630 24.33674 86.28972 39.74537 -36.91341      46.60441 
1 1 1 17  14 37 o 75.08553 25.00311 185.8282       128.8826 259.2737       246.3281 158.1432       151.2351 88.16931 33.88050 72.24159 26.81299 15.92772       43.20677 
1 1 1 17  14 38 o 63.43209 24.00031 112.5180       122.3943 137.7398       249.1196 104.4928       140.5237 77.09930 32.43273 64.23919 25.33028 12.86012       41.15222 
1 1 1 17  14 39 o 80.56977 25.20725 224.9225       132.2935 278.7531       263.2970 206.7433       153.0101 88.76190 34.77127 77.95695 27.21521 10.80495       44.15551 
1 1 1 17  14 40 o 55.67602 23.49712 44.73547       131.4406 -53.63294      250.9205 81.93578       154.3055 63.60098 29.25960 62.48905 25.84503 1.111931       39.03959 
1 1 1 17  14 41 o 37.80325 18.40292 -196.5768      130.7921 -358.7494      244.5904 -131.6342      154.7803 49.80964 24.44154 45.75633 21.66683 4.053307       32.66252 
1 1 1 17  14 42 o 96.82306 23.63956 329.4369       133.0496 394.5524       277.4225 309.9859       151.6249 97.02799 36.25619 92.04456 26.59759 4.983437       44.96602 
1 1 1 17  14 43 o 102.6230 23.81891 371.3069       140.5882 721.1204       308.2986 279.4658       157.9690 127.4843 38.22105 86.80788 27.59641 40.67640       47.14245 
1 1 1 17  15 0  o 474.1046 13.01792 6629.700       361.6223 6636.488       485.8486 6621.268       541.4855 473.2336 17.53584 472.0757 19.60065 1.157806       26.30002 
1 1 1 17  15 1  o 461.6736 19.40581 6332.008       524.2614 0.000000       0.000000 6332.008       524.2614 ?        ?        461.6736 19.40581 0.000000       19.40581 
1 1 1 17  15 2  o 350.5420 11.78127 3622.623       241.8606 3743.711       313.9466 3445.833       379.3441 355.7585 15.08121 340.3914 19.07857 15.36719       24.31943 
1 1 1 17  15 3  o 519.0981 13.74342 7953.513       418.0349 8241.224       583.6575 7650.455       599.0231 526.8838 18.91900 507.1949 20.17835 19.68884       27.66034 
1 1 1 17  15 4  o 409.2217 12.34351 4938.814       295.9042 5076.705       393.8469 4760.095       448.3802 414.0401 16.25095 400.1312 19.16274 13.90891       25.12577 
1 1 1 17  15 5  o 241.5986 12.10452 1724.050       170.9650 1752.135       202.0605 1653.279       320.7528 243.2320 14.22690 234.1883 23.67860 9.043762       27.62391 
1 1 1 17  15 6  o 241.7299 22.71804 1757.551       318.2958 1757.551       318.2958 0.000000       0.000000 241.7299 22.71804 ?        ?        0.000000       22.71804 
1 1 1 17  15 7  o 113.1110 21.28970 392.9653       136.0482 392.9653       136.0482 0.000000       0.000000 113.1110 21.28970 ?        ?        0.000000       21.28970 
1 1 1 17  15 8  o 112.5194 22.27251 390.4629       141.7725 390.4629       141.7725 0.000000       0.000000 112.5194 22.27251 ?        ?        0.000000       22.27251 
1 1 1 17  15 9  o 281.8301 12.93342 2348.323       213.2023 2348.323       213.2023 0.000000       0.000000 281.8301 12.93342 ?        ?        0.000000       12.93342 
1 1 1 17  15 10 o 526.4999 17.94382 8237.711       553.2592 8237.711       553.2592 0.000000       0.000000 526.4999 17.94382 ?        ?        0.000000       17.94382 
1 1 1 17  15 11 o 329.2096 12.40874 3202.039       239.1512 3202.039       239.1512 0.000000       0.000000 329.2096 12.40874 ?        ?        0.000000       12.40874 
1 1 1 17  15 12 o 349.7635 16.83769 3637.890       344.3737 3637.890       344.3737 0.000000       0.000000 349.7635 16.83769 ?        ?        0.000000       16.83769 
1 1 1 17  15 13 o 276.4008 20.98930 2295.236       337.6982 2295.236       337.6982 0.000000       0.000000 276.4008 20.98930 ?        ?        0.000000       20.98930 
1 1 1 17  15 14 o 327.3860 17.88935 3196.521       342.1777 3196.521       342.1777 0.000000       0.000000 327.3860 17.88935 ?        ?        0.000000       17.88935 
1 1 1 17  15 15 o 380.6769 9.759992 4270.600       217.7199 3970.866       269.7385 4830.918       368.8018 366.4642 12.56910 403.3666 15.61939 -36.90234      20.04864 
1 1 1 17  15 16 o 148.0916 18.13655 661.9879       154.2359 685.7278       200.0779 627.2183       242.1359 149.3512 23.62748 140.8774 30.21308 8.473770       38.35476 
1 1 1 17  15 17 o 258.0866 10.90985 1967.197       164.7608 1904.515       221.6817 2044.552       246.2666 253.1313 14.99979 262.0403 16.10235 -8.909058      22.00635 
1 1 1 17  15 18 o 409.7979 9.737555 4945.410       234.0292 4813.981       312.2979 5113.751       353.4425 403.3859 13.21858 415.3907 14.53051 -12.00479      19.64349 
1 1 1 17  15 19 o 42.90751 20.70737 -240.1347      156.5699 -408.8759      239.5477 -114.2851      206.8746 51.24704 24.93796 59.58698 27.09056 -8.339939      36.82119 
1 1 1 17  15 20 o 293.7523 11.50915 2549.254       197.8945 2517.031       282.7288 2580.203       277.0866 290.7128 16.65237 294.4952 16.10434 -3.782440      23.16573 
1 1 1 17  15 21 o 236.9056 12.89571 1663.296       178.4968 1524.997       270.9101 1769.393       237.2840 224.9018 20.77377 243.5129 16.71623 -18.61110      26.66425 
1 1 1 17  15 22 o 200.4079 14.10002 1195.052       164.6662 1238.851       264.1501 1167.213       210.5926 201.8021 22.71295 197.0381 18.43809 4.764038       29.25476 
1 1 1 17  15 23 o 308.9991 11.08104 2821.819       200.4862 3596.081       364.4534 2485.852       240.0751 346.7568 17.98261 289.2625 14.19491 57.49426       22.91004 
1 1 1 17  15 24 o 170.9866 15.81250 876.9185       156.7714 1092.692       308.3810 801.7198       182.0511 186.5726 29.13503 162.4698 19.49490 24.10278       35.05568 
1 1 1 17  15 25 o 106.4217 24.21358 357.4758       147.7111 604.5979       286.3540 267.8805       172.4210 135.6601 35.56408 92.86118 28.73395 42.79892       45.72137 
1 1 1 17  15 26 o 186.5952 14.35397 1041.413       155.8744 846.5770       292.2116 1118.903       184.2826 161.9451 31.90196 192.8750 16.44818 -30.92992      35.89259 
1 1 1 17  15 27 o 156.0529 16.03904 734.8211       144.7040 523.4263       303.1204 797.2158       164.6803 125.6603 37.94908 162.1583 17.59799 -36.49798      41.83087 
1 1 1 17  15 28 o 293.0217 9.971253 2540.717       171.1066 2472.619       328.8202 2566.003       200.3722 285.3251 19.77255 293.9974 11.64403 -8.672363      22.94640 
1 1 1 17  15 29 o 157.8258 14.67446 750.5818       134.2724 982.6656       274.3755 677.4980       153.9691 175.4784 27.56866 148.8609 18.00128 26.61752       32.92533 
1 1 1 17  15 30 o 169.4384 13.24909 862.1780       130.6122 719.0101       259.9201 910.5430       151.0715 147.1327 31.09648 173.5944 14.98528 -26.46175      34.51883 
1 1 1 17  15 31 o 102.5513 20.59859 334.5185       119.5823 407.5068       257.0547 314.3605       135.0900 109.1378 35.25468 98.36526 23.69905 10.77254       42.47985 
1 1 1 17  15 32 o 255.0242 10.00548 1937.173       149.3573 1839.001       263.2570 1983.772       181.3731 243.9247 18.54127 257.1820 12.05848 -13.25735      22.11755 
1 1 1 17  15 33 o 35.45291 17.19307 -173.6014      111.2825 -340.6230      235.7329 -125.7074      126.2334 51.14660 24.85471 41.68821 19.68848 9.458385       31.70793 
1 1 1 17  15 34 o 60.50268 22.96304 93.07722       112.2502 -92.49906      230.0142 151.0899       128.6041 61.42801 28.16924 70.67015 24.92882 -9.242142      37.61584 
1 1 1 17  15 35 o 105.2181 20.37246 359.1013       121.1709 9.888739       233.4989 487.8001       141.7513 67.78094 29.93848 123.0556 20.35236 -55.27465      36.20126 
1 1 1 17  15 36 f 47.49888 21.42917 -40.54467      126.4878 -37.57285      251.8898 -41.54673      146.2663 66.29191 30.04152 51.09595 23.04863 15.19596       37.86465 
1 1 1 17  15 37 o 118.3827 19.59721 454.2325       131.3046 724.6379       252.1407 353.6146       153.8059 140.9286 31.31911 100.7985 25.88487 40.13004       40.63143 
1 1 1 17  15 38 o 133.7642 17.39612 569.4305       133.2420 779.3558       259.6362 494.3784       155.2437 145.2962 31.38769 121.3228 22.65113 23.97339       38.70737 
1 1 1 17  15 39 o 58.02957 23.46973 73.31653       123.7581 -63.38839      258.2638 114.0642       141.0012 64.17042 29.58051 64.93638 25.44319 -0.7659607     39.01746 
1 1 1 17  15 40 o 87.49700 23.55350 266.8032       123.5226 462.8667       252.7742 205.2964       141.5780 106.5117 34.99825 77.00425 26.20810 29.50742       43.72346 
1 1 1 17  15 41 o 74.71771 24.88317 193.3160       127.6485 545.8387       274.9029 96.41484       144.1286 113.1617 36.44957 62.57409 25.32052 50.58758       44.38130 
1 1 1 17  15 42 o 117.8524 32.18908 550.3875       228.7233 927.4200       305.0266 66.08362       345.7063 151.0309 35.10555 76.38857 34.84173 74.64230       49.46055 
1 1 1 17  15 43 o 52.01568 23.24538 -9.466169      144.9760 -124.1899      306.0695 23.71921       164.6140 64.43262 30.49802 57.49550 25.27628 6.937115       39.61085 
1 1 1 17  16 0  o 329.7783 11.13377 3205.835       215.0264 3393.763       282.4417 2946.746       331.6336 338.7605 14.24807 314.8011 18.03823 23.95947       22.98663 
1 1 1 17  16 1  o 195.8777 11.74649 1134.288       134.3210 1169.377       155.2785 1029.977       267.7235 198.6553 13.40638 183.7902 25.52588 14.86508       28.83230 
1 1 1 17  16 2  o 284.2567 11.29240 2383.306       187.8808 2531.275       235.3874 2123.550       311.8750 292.5561 13.75757 266.5706 20.09685 25.98550       24.35476 
1 1 1 17  16 3  o 238.0468 11.09045 1672.224       154.4068 1716.889       185.6467 1571.983       278.1155 240.9002 13.19046 228.9115 20.94803 11.98875       24.75496 
1 1 1 17  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  16 5  o 124.9665 15.34810 468.5013       110.1266 515.6140       120.9176 239.3276       266.6876 131.0535 16.06805 97.12541 35.68420 33.92804       39.13495 
1 1 1 17  16 6  o 430.8035 12.89470 5479.833       325.4256 5335.239       431.6458 5670.251       495.3445 423.8837 17.40021 436.3558 19.40456 -12.47211      26.06347 
1 1 1 17  16 7  o 345.6264 11.68429 3524.705       236.5022 3524.705       236.5022 0.000000       0.000000 345.6264 11.68429 ?        ?        0.000000       11.68429 
1 1 1 17  16 8  o 145.0641 19.00327 635.7729       157.7898 635.7729       157.7898 0.000000       0.000000 145.0641 19.00327 ?        ?        0.000000       19.00327 
1 1 1 17  16 9  o 100.8428 25.24843 317.4301       148.9718 317.4301       148.9718 0.000000       0.000000 100.8428 25.24843 ?        ?        0.000000       25.24843 
1 1 1 17  16 10 o 563.7764 18.51237 9461.854       611.2660 9461.854       611.2660 0.000000       0.000000 563.7764 18.51237 ?        ?        0.000000       18.51237 
1 1 1 17  16 11 o 115.0360 23.67062 411.1198       154.3665 411.1198       154.3665 0.000000       0.000000 115.0360 23.67062 ?        ?        0.000000       23.67062 
1 1 1 17  16 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  16 13 o 571.4042 20.88774 9773.719       698.8018 9773.719       698.8018 0.000000       0.000000 571.4042 20.88774 ?        ?        0.000000       20.88774 
1 1 1 17  16 14 o 388.7133 17.01016 4497.545       386.8437 4497.545       386.8437 0.000000       0.000000 388.7133 17.01016 ?        ?        0.000000       17.01016 
1 1 1 17  16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  16 16 o 320.4703 9.891687 3027.841       185.6899 2929.001       236.5457 3186.555       299.7478 314.6096 12.84716 327.4657 15.65305 -12.85608      20.25012 
1 1 1 17  16 17 o 80.32032 26.60124 187.3231       145.9329 203.2306       190.2352 164.5759       227.4852 86.10571 30.32400 85.42413 32.62562 0.6815796      44.54184 
1 1 1 17  16 18 o 302.5618 11.14161 2702.877       197.3651 2726.538       269.2476 2675.399       290.1564 302.9987 15.20022 299.7815 16.56796 3.217133       22.48430 
1 1 1 17  16 19 o 295.6861 11.23948 2582.023       194.5523 2418.846       269.7347 2758.964       280.8808 285.0836 16.19963 304.6384 15.77498 -19.55481      22.61146 
1 1 1 17  16 20 o 191.4549 14.68083 1091.776       163.5844 1195.894       243.3892 1005.991       220.9253 198.8300 21.19878 182.2198 21.05993 16.61020       29.88158 
1 1 1 17  16 21 o 96.15721 25.81135 289.6208       148.5964 240.2307       234.6248 322.7008       192.0155 93.83023 33.61211 101.6906 30.08536 -7.860390      45.10990 
1 1 1 17  16 22 o 451.4886 9.514503 6006.145       251.9321 6052.154       351.6365 5957.619       361.1245 452.0023 13.27926 448.2913 13.75181 3.710938       19.11678 
1 1 1 17  16 23 o 267.8035 11.10141 2121.463       173.9810 2245.311       278.7694 2042.446       222.6697 273.8077 17.45079 261.9425 14.55174 11.86520       22.72186 
1 1 1 17  16 24 o 180.0994 14.94763 970.9680       156.4619 524.4662       297.4656 1141.743       183.9656 126.6248 37.44184 195.0550 16.22847 -68.43016      40.80753 
1 1 1 17  16 25 o 60.33768 24.65369 47.47725       138.2110 110.9594       282.8887 27.57282       158.4035 85.53719 35.14661 61.67744 25.89855 23.85975       43.65798 
1 1 1 17  16 26 o 204.4779 12.74789 1245.163       152.1141 1138.995       295.7523 1283.349       177.3734 190.4099 27.26116 207.0847 14.70017 -16.67480      30.97202 
1 1 1 17  16 27 o 228.6668 11.25304 1551.997       150.4484 1461.195       317.2416 1578.344       170.8871 216.5862 25.46093 230.2258 12.70551 -13.63965      28.45503 
1 1 1 17  16 28 o 230.0307 11.20184 1572.070       150.6669 1755.232       319.2258 1519.574       170.8995 238.2392 23.13835 225.6492 12.96850 12.59001       26.52480 
1 1 1 17  16 29 o 58.58141 23.21525 64.24664       118.5782 104.9813       235.6877 50.44114       137.2086 78.51189 32.15031 59.96857 24.54068 18.54332       40.44611 
1 1 1 17  16 30 o 63.73943 23.30738 107.9193       113.5627 -155.7021      254.3356 173.5649       126.9169 62.86026 29.10998 75.19226 24.80376 -12.33200      38.24419 
1 1 1 17  16 31 f 43.14948 19.71377 -62.39466      111.2718 59.14474       242.3044 -94.87534      125.2608 74.08220 31.60848 43.77091 20.32475 30.31129       37.57914 
1 1 1 17  16 32 o 56.94267 22.32551 69.70090       108.6223 -198.5955      231.2411 145.6620       123.0420 56.51205 26.67678 69.81304 24.40273 -13.30099      36.15445 
1 1 1 17  16 33 o 56.93901 22.46265 68.98332       110.5556 -24.65381      229.1663 97.38619       126.2141 65.58472 29.27318 62.90761 24.23152 2.677105       38.00113 
1 1 1 17  16 34 o 87.37640 22.27064 252.4079       114.4446 -64.04670      249.1800 337.0073       128.8371 65.32448 29.71185 101.1357 22.32010 -35.81123      37.16155 
1 1 1 17  16 35 o 123.3681 16.62346 477.5333       117.2169 707.9940       258.4280 417.8393       131.5245 139.7096 32.20069 113.3844 20.53478 26.32521       38.19112 
1 1 1 17  16 36 o 57.76220 23.39181 66.74324       123.1177 16.23762       250.4943 82.83005       141.3718 69.19022 30.76096 62.06652 25.09085 7.123692       39.69619 
1 1 1 17  16 37 o 74.14626 24.95969 182.1301       128.3936 133.9343       247.9503 199.7880       150.0821 76.69139 32.31427 77.39478 26.95778 -0.7033920     42.08247 
1 1 1 17  16 38 o 146.5746 16.11984 676.5774       136.2856 659.1403       251.9871 683.7867       162.0282 131.3574 32.80869 145.1209 19.53304 -13.76350      38.18311 
1 1 1 17  16 39 o 114.9826 32.17641 512.2476       225.4798 672.9554       252.2133 -127.5545      503.2369 131.9147 32.75191 79.92289 38.18919 51.99178       50.31006 
1 1 1 17  16 40 o 130.0240 16.91706 540.9638       125.9470 367.1239       257.7011 595.5179       144.3628 95.71671 35.09253 135.3155 18.68955 -39.59882      39.75909 
1 1 1 17  16 41 o 36.24816 17.72131 -202.2737      125.0231 -574.3256      304.3271 -126.7327      137.1293 50.83643 25.34815 42.65160 20.25410 8.184826       32.44622 
1 1 1 17  16 42 o 41.60694 19.86952 -139.4716      135.8168 -296.4713      309.5644 -102.0471      151.1399 58.85022 28.57145 46.60645 21.86512 12.24377       35.97792 
1 1 1 17  17 0  o 401.2785 11.87028 4750.087       279.0485 5051.137       381.8955 4405.229       408.7389 412.8734 15.80081 384.8813 18.15913 27.99213       24.07113 
1 1 1 17  17 1  o 127.6614 14.27220 487.3007       105.0302 525.9255       115.8465 308.9540       248.9326 132.5241 15.17875 103.1114 34.75443 29.41273       37.92447 
1 1 1 17  17 2  o 137.5258 13.69300 563.8233       108.9758 534.0868       119.1463 716.0326       269.5604 133.4978 15.50610 150.9563 31.46900 -17.45850      35.08186 
1 1 1 17  17 3  o 104.0777 19.34096 331.9881       113.7109 331.9881       113.7109 0.000000       0.000000 104.0777 19.34096 ?        ?        0.000000       19.34096 
1 1 1 17  17 4  o 214.9678 11.65449 1365.950       146.3828 1365.950       146.3828 0.000000       0.000000 214.9678 11.65449 ?        ?        0.000000       11.65449 
1 1 1 17  17 5  o 372.1635 18.94924 4127.581       412.2344 0.000000       0.000000 4127.581       412.2344 ?        ?        372.1635 18.94924 0.000000       18.94924 
1 1 1 17  17 6  o 222.0406 10.83161 1455.757       140.6254 1446.010       156.8111 1495.797       317.8167 221.0992 12.13973 221.9099 24.84629 -0.8106995     27.65341 
1 1 1 17  17 7  o 240.2114 10.70868 1703.151       150.4828 1693.837       169.0676 1738.666       330.1408 239.3391 12.08380 239.6915 23.79931 -0.3524170     26.69130 
1 1 1 17  17 8  o 590.6479 13.82222 10311.24       478.8030 10311.24       478.8030 0.000000       0.000000 590.6479 13.82222 ?        ?        0.000000       13.82222 
1 1 1 17  17 9  o 275.3839 13.98743 2248.108       225.1658 2248.108       225.1658 0.000000       0.000000 275.3839 13.98743 ?        ?        0.000000       13.98743 
1 1 1 17  17 10 o 389.9761 17.87599 4531.208       407.7575 4531.208       407.7575 0.000000       0.000000 389.9761 17.87599 ?        ?        0.000000       17.87599 
1 1 1 17  17 11 o 164.4888 14.80297 807.4277       141.2765 807.4277       141.2765 0.000000       0.000000 164.4888 14.80297 ?        ?        0.000000       14.80297 
1 1 1 17  17 12 o 424.6648 17.02940 5366.503       423.2672 5366.503       423.2672 0.000000       0.000000 424.6648 17.02940 ?        ?        0.000000       17.02940 
1 1 1 17  17 13 o 253.5678 15.99747 1914.895       236.6882 1914.895       236.6882 0.000000       0.000000 253.5678 15.99747 ?        ?        0.000000       15.99747 
1 1 1 17  17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  17 15 o 407.1534 9.479692 4881.097       226.3616 5045.212       294.3014 4643.374       354.2049 413.2220 12.15712 395.5330 15.29822 17.68909       19.54050 
1 1 1 17  17 16 o 155.0212 21.89874 733.1271       193.5567 733.1271       193.5567 0.000000       0.000000 155.0212 21.89874 ?        ?        0.000000       21.89874 
1 1 1 17  17 17 o 62.59961 25.64182 45.71079       149.9769 115.8842       195.5866 -54.43582      233.6528 76.73887 29.99584 67.90448 29.97264 8.834389       42.40412 
1 1 1 17  17 18 o 442.9923 9.991395 5780.572       259.5809 5862.181       352.9790 5684.457       383.0702 445.0719 13.53859 437.8320 14.94022 7.239929       20.16194 
1 1 1 17  17 19 o 32.74056 16.53150 -496.2108      151.2653 -563.4384      224.6922 -440.4882      204.5645 43.92757 21.88362 44.17937 21.80866 -0.2517967     30.89515 
1 1 1 17  17 20 o 182.8720 14.21884 996.1675       151.2997 1110.920       233.9540 913.6728       198.3637 191.4521 21.19058 173.7917 19.81539 17.66043       29.01190 
1 1 1 17  17 21 o 86.59635 25.91439 230.9760       141.8247 -34.72442      223.8309 409.2045       183.3211 67.50790 29.58211 113.6662 27.74639 -46.15834      40.55814 
1 1 1 17  17 22 o 361.7008 9.651882 3859.326       204.5614 4001.349       313.5824 3754.119       269.8952 366.9049 14.60212 355.8847 12.95270 11.02020       19.51908 
1 1 1 17  17 23 o 276.0533 10.61333 2253.677       171.5083 2461.094       275.8136 2122.913       218.9967 286.8254 16.46556 267.0645 14.03127 19.76086       21.63310 
1 1 1 17  17 24 o 282.5658 9.754537 2359.098       161.4080 2837.901       282.4699 2126.966       196.6806 308.1658 15.68077 267.6127 12.56663 40.55307       20.09494 
1 1 1 17  17 25 o 270.9504 9.783052 2170.365       155.2034 2168.910       262.0499 2171.151       192.6217 268.7908 16.70595 270.3998 12.17767 -1.609070      20.67328 
1 1 1 17  17 26 o 206.0885 12.44081 1264.551       149.6669 1266.750       313.3493 1263.902       170.3552 200.6944 27.33167 205.5631 14.21817 -4.868713      30.80871 
1 1 1 17  17 27 o 110.4102 20.51396 380.7393       127.9455 752.7719       309.6667 304.1556       140.4986 149.7392 35.75653 97.55908 24.57261 52.18013       43.38597 
1 1 1 17  17 28 o 102.5732 21.73931 333.1752       126.7092 449.3972       254.4449 294.8492       146.1153 115.9119 34.71604 95.67686 25.55613 20.23506       43.10823 
1 1 1 17  17 29 o 138.7651 15.28672 585.5202       122.3483 676.3093       258.0546 559.1941       138.9594 141.8977 31.79820 134.6407 18.05237 7.256973       36.56519 
1 1 1 17  17 30 o 66.67715 23.14734 129.7240       110.6064 226.2245       231.8535 101.2918       125.8501 88.26992 33.11182 64.07435 24.31533 24.19557       41.08075 
1 1 1 17  17 31 o 103.1410 18.88606 336.8996       110.0326 198.3463       228.7762 378.5956       125.5018 84.42361 32.59603 108.8720 20.40499 -24.44840      38.45601 
1 1 1 17  17 32 o 140.8730 14.39378 606.8345       117.2500 510.6403       248.0411 634.5140       133.0540 119.1520 33.88942 143.3609 16.10320 -24.20890      37.52074 
1 1 1 17  17 33 o 176.0289 12.01778 935.2133       123.3236 482.3525       259.9740 1066.708       140.0885 114.4751 35.25888 187.6957 12.80282 -73.22063      37.51134 
1 1 1 17  17 34 o 84.99499 21.87408 239.2652       109.6717 129.2132       254.8991 264.2661       121.4919 78.51634 32.90362 88.91473 23.09426 -10.39839      40.19942 
1 1 1 17  17 35 o 149.3408 13.63671 684.3296       118.1205 531.1423       258.8379 724.6229       132.7494 117.7732 34.95220 153.0198 14.98411 -35.24654      38.02868 
1 1 1 17  17 36 o 49.91619 21.53324 10.84958       114.7818 -388.8508      253.1040 114.3341       128.7863 50.84610 24.93234 64.41846 24.56140 -13.57236      34.99834 
1 1 1 17  17 37 o 72.80621 24.19331 176.3217       120.6832 24.12045       249.1670 222.9702       137.9431 68.71463 30.60648 80.39558 25.81267 -11.68095      40.03811 
1 1 1 17  17 38 o 80.36610 24.81403 224.3947       128.6673 275.2752       255.2596 207.0633       148.9781 87.85979 34.28930 77.70938 26.86997 10.15041       43.56319 
1 1 1 17  17 39 o 44.50657 20.64886 -76.72411      128.8701 -13.18316      245.4024 -100.9190      151.4307 65.12556 29.56808 47.05502 22.01449 18.07053       36.86338 
1 1 1 17  17 40 o 58.23324 26.87173 -64.42931      213.9283 -107.7303      253.2994 43.29863       399.5301 60.58672 28.38615 78.96452 36.53871 -18.37780      46.26933 
1 1 1 17  17 41 o 47.99917 21.12447 -0.7966437     115.2663 -186.5939      282.4377 36.33307       126.2594 60.02322 28.66122 53.57764 22.83700 6.445583       36.64688 
1 1 1 17  17 42 o 130.9212 16.70244 551.6765       125.3286 788.6233       288.6885 496.6479       139.1227 137.0934 35.59541 121.7449 20.19194 15.34850       40.92368 
1 1 1 17  18 0  o 411.8643 11.90529 5006.198       287.2690 4694.825       368.5701 5488.108       458.5241 397.8605 15.82728 429.4286 18.24785 -31.56818      24.15547 
1 1 1 17  18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  18 2  o 550.1994 14.29178 8954.923       460.7751 9233.316       639.4570 8654.266       664.5350 556.5587 19.62140 538.1191 21.09751 18.43951       28.81153 
1 1 1 17  18 3  o 279.1559 20.59023 2336.003       334.7275 0.000000       0.000000 2336.003       334.7275 ?        ?        279.1559 20.59023 0.000000       20.59023 
1 1 1 17  18 4  o 281.2569 9.864979 2331.728       162.4714 2352.069       187.9676 2271.634       323.0841 282.2423 11.37893 275.3553 20.14594 6.887054       23.13740 
1 1 1 17  18 5  o 201.5385 10.82714 1200.290       127.5044 1288.830       141.0721 805.2731       297.9745 208.7495 11.56823 159.4948 32.94625 49.25465       34.91817 
1 1 1 17  18 6  o 149.8520 12.79523 667.7998       111.3756 724.8946       120.9757 350.2898       285.2847 156.0790 13.34398 109.2004 37.20224 46.87852       39.52301 
1 1 1 17  18 7  o 150.5485 12.61138 673.8131       110.3275 718.7825       118.8243 392.6817       297.0989 155.4336 13.15848 114.0979 37.96098 41.33565       40.17688 
1 1 1 17  18 8  o 329.0095 20.51920 3245.277       393.9598 3245.277       393.9598 0.000000       0.000000 329.0095 20.51920 ?        ?        0.000000       20.51920 
1 1 1 17  18 9  o 242.3432 13.57591 1741.757       192.1811 1741.757       192.1811 0.000000       0.000000 242.3432 13.57591 ?        ?        0.000000       13.57591 
1 1 1 17  18 10 o 579.3724 18.12310 10000.36       615.0443 10000.36       615.0443 0.000000       0.000000 579.3724 18.12310 ?        ?        0.000000       18.12310 
1 1 1 17  18 11 f 201.4927 29.51109 1261.067       338.3985 1261.067       338.3985 0.000000       0.000000 201.4927 29.51109 ?        ?        0.000000       29.51109 
1 1 1 17  18 12 o 291.1781 19.94674 2543.241       338.5713 2543.241       338.5713 0.000000       0.000000 291.1781 19.94674 ?        ?        0.000000       19.94674 
1 1 1 17  18 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  18 14 f 144.6051 37.88536 676.9344       325.0874 676.9344       325.0874 0.000000       0.000000 144.6051 37.88536 ?        ?        0.000000       37.88536 
1 1 1 17  18 15 o 108.5075 26.94716 370.2192       170.7026 370.2192       170.7026 0.000000       0.000000 108.5075 26.94716 ?        ?        0.000000       26.94716 
1 1 1 17  18 16 o 321.9762 12.82896 3067.259       241.7661 2714.559       384.7519 3297.388       310.7871 300.2447 22.00296 333.0562 15.95733 -32.81152      27.18026 
1 1 1 17  18 17 o 288.6259 10.91781 2459.566       184.4750 2322.076       243.4608 2644.928       282.6854 279.6036 14.90071 298.1151 16.22968 -18.51154      22.03256 
1 1 1 17  18 18 o 45.46281 21.46070 -164.1761      149.6457 -65.55960      209.9230 -266.0688      213.3814 63.26851 28.14220 52.50703 25.02777 10.76149       37.66129 
1 1 1 17  18 19 o 59.32102 24.53811 33.78573       139.1205 -2.462897      200.1790 67.65030       193.4841 66.33370 28.52437 71.48289 29.18415 -5.149193      40.80875 
1 1 1 17  18 20 o 102.8036 22.92248 330.4218       134.6791 372.1543       205.0021 298.7330       178.6381 108.4216 30.79990 97.86623 29.03483 10.55532       42.32795 
1 1 1 17  18 21 o 393.9239 9.049167 4571.460       209.0602 4607.602       296.6393 4535.794       294.6820 394.3528 12.84319 391.2595 12.85963 3.093292       18.17464 
1 1 1 17  18 22 o 177.2051 13.43554 936.3371       138.5905 982.4417       229.9026 910.0190       173.6996 179.0051 22.38735 173.7445 17.27519 5.260559       28.27765 
1 1 1 17  18 23 o 208.5668 11.62057 1291.022       141.5802 1388.176       241.3990 1240.079       174.8012 214.0660 19.43991 203.6557 14.73479 10.41029       24.39312 
1 1 1 17  18 24 o 57.31851 23.24663 46.66714       121.8013 205.9447       227.1472 -17.61343      144.3012 88.45795 32.85499 54.79849 23.88782 33.65946       40.62115 
1 1 1 17  18 25 o 133.1500 16.24865 537.5651       124.2595 571.4993       240.3067 525.1804       145.1744 132.3332 31.43248 130.6463 19.54689 1.686813       37.01461 
1 1 1 17  18 26 o 109.3023 19.86252 371.7965       122.6367 643.4482       230.1510 264.0823       144.9250 141.2371 28.76353 91.11406 25.90097 50.12306       38.70661 
1 1 1 17  18 27 o 183.9274 12.70091 1011.214       136.1622 795.5457       302.5182 1066.006       152.4807 154.1068 34.34954 188.5225 13.88867 -34.41577      37.05113 
1 1 1 17  18 28 o 85.79162 22.77163 235.6008       116.4684 114.1273       258.6071 266.5084       130.4467 81.40720 33.54313 90.96275 24.07867 -9.555550      41.29072 
1 1 1 17  18 29 o 50.65366 21.43489 15.55842       109.8630 -254.9848      237.6009 89.13000       123.9039 55.50591 26.44398 62.25579 24.00130 -6.749874      35.71199 
1 1 1 17  18 30 o 116.3920 16.89447 420.6902       111.9573 624.5314       237.7650 362.6182       126.9069 135.0504 30.71532 106.3136 21.09860 28.73677       37.26368 
1 1 1 17  18 31 o 100.3798 18.62259 319.8284       105.5963 162.2861       210.8804 372.5501       121.9923 79.07525 31.07590 107.9559 20.00443 -28.88065      36.95794 
1 1 1 17  18 32 o 124.9452 15.13789 481.5311       108.6670 571.4932       236.0045 457.3268       122.4157 126.9440 31.77672 120.5946 17.84657 6.349373       36.44530 
1 1 1 17  18 33 o 144.3625 13.03513 634.6996       109.1745 594.2308       247.2316 644.5027       121.6811 128.0103 32.78926 144.8459 14.51963 -16.83563      35.86022 
1 1 1 17  18 34 o 159.2611 12.53845 771.6865       116.1688 710.3599       246.2393 789.2435       131.7524 140.9895 30.65547 160.2872 14.16103 -19.29765      33.76822 
1 1 1 17  18 35 o 60.69054 22.58826 102.8433       107.4720 35.15414       233.9579 120.9469       120.9932 68.60596 30.14798 64.70551 23.98897 3.900444       38.52754 
1 1 1 17  18 36 o 158.7053 13.24253 773.1063       122.1350 729.0409       244.2235 787.8021       141.0383 141.7162 30.30225 159.0454 15.30939 -17.32915      33.95002 
1 1 1 17  18 37 o 59.39864 23.76899 82.10619       125.4911 -42.14530      256.9594 121.0225       143.8068 65.29272 29.87853 66.13402 25.75793 -0.8413010     39.44867 
1 1 1 17  18 38 o 132.8102 17.83982 567.9686       135.4434 339.0268       270.9306 644.2496       156.3881 93.30874 35.61282 140.3817 19.52270 -47.07296      40.61291 
1 1 1 17  18 39 o 51.56883 22.35134 16.29693       124.8356 -213.8692      260.5036 84.90855       142.2302 56.98194 27.29445 61.23059 25.01300 -4.248646      37.02212 
1 1 1 17  18 40 o 110.7709 20.79068 413.5788       130.1062 -33.91634      261.3546 561.0143       150.0159 64.88689 29.85503 129.6907 20.39585 -64.80383      36.15680 
1 1 1 17  18 41 o 106.8200 21.44646 389.1974       129.6840 482.5692       277.0287 362.9935       146.7575 105.2017 36.62650 100.5905 24.98855 4.611145       44.33878 
1 1 1 17  19 0  o 422.4118 12.13835 5269.890       300.3969 5831.467       421.4852 4690.151       428.2462 443.1331 16.24551 396.6064 18.46191 46.52670       24.59184 
1 1 1 17  19 1  o 202.7304 23.29880 1248.464       271.9849 0.000000       0.000000 1248.464       271.9849 ?        ?        202.7304 23.29880 0.000000       23.29880 
1 1 1 17  19 2  o 127.2690 13.45468 483.9177       98.90748 497.9394       107.0414 402.0338       258.6730 128.9497 14.39954 113.7241 35.19544 15.22562       38.02717 
1 1 1 17  19 3  o 275.3403 9.882809 2235.512       159.3293 2265.943       183.9794 2144.224       318.6497 276.9665 11.35044 267.2096 20.48977 9.756927       23.42355 
1 1 1 17  19 4  o 123.6224 13.05507 456.4315       93.22343 481.2817       99.90829 289.1551       259.2114 126.8764 13.64073 101.1161 35.41387 25.76030       37.95012 
1 1 1 17  19 5  o 194.0655 10.73096 1113.412       121.6587 1160.422       135.4241 916.7989       276.9553 197.9805 11.71572 171.6806 28.50598 26.29993       30.81962 
1 1 1 17  19 6  f 172.7842 11.13188 883.9377       112.2033 810.1353       121.2704 1322.850       295.7388 165.1498 12.61613 208.2083 24.69986 -43.05850      27.73535 
1 1 1 17  19 7  o 125.5061 13.31699 470.7292       96.52737 502.8951       102.0904 199.4825       296.4620 129.7143 13.62287 95.48635 37.04109 34.22797       39.46676 
1 1 1 17  19 8  f 132.4471 14.37253 525.2294       109.8541 525.2294       109.8541 0.000000       0.000000 132.4471 14.37253 ?        ?        0.000000       14.37253 
1 1 1 17  19 9  o 313.0298 11.04316 2893.269       202.4179 2893.269       202.4179 0.000000       0.000000 313.0298 11.04316 ?        ?        0.000000       11.04316 
1 1 1 17  19 10 o 178.1694 12.61147 942.3649       130.9284 942.3649       130.9284 0.000000       0.000000 178.1694 12.61147 ?        ?        0.000000       12.61147 
1 1 1 17  19 11 o 443.9573 16.88521 5864.800       438.8397 5864.800       438.8397 0.000000       0.000000 443.9573 16.88521 ?        ?        0.000000       16.88521 
1 1 1 17  19 12 o 171.3100 14.25835 874.4966       141.9551 874.4966       141.9551 0.000000       0.000000 171.3100 14.25835 ?        ?        0.000000       14.25835 
1 1 1 17  19 13 o 111.3726 39.18904 356.7714       317.6730 356.7714       317.6730 0.000000       0.000000 111.3726 39.18904 ?        ?        0.000000       39.18904 
1 1 1 17  19 14 o 64.19069 30.83033 -457.3598      337.4090 -457.3598      337.4090 0.000000       0.000000 64.19069 30.83033 ?        ?        0.000000       30.83033 
1 1 1 17  19 15 o 301.2567 10.68173 2678.375       188.4261 2548.958       227.0989 2964.312       337.5627 293.3758 13.23304 315.0392 18.34946 -21.66345      22.62335 
1 1 1 17  19 16 o 104.4767 24.46093 341.5677       147.2217 115.3125       182.9214 757.6461       248.0578 75.02088 29.09760 155.7496 28.19431 -80.72871      40.51654 
1 1 1 17  19 17 o 75.38528 25.76148 159.8026       136.8176 234.5324       175.1514 42.82973       219.1336 88.95494 29.12777 72.99331 30.54298 15.96163       42.20546 
1 1 1 17  19 18 o 305.5609 9.964117 2754.397       178.3225 2785.026       247.9305 2721.572       256.6685 306.4105 13.83239 302.7215 14.49918 3.688995       20.03899 
1 1 1 17  19 19 o 334.3509 9.351163 3296.016       183.1858 3105.430       246.2003 3532.382       274.1803 323.7102 12.99467 345.1175 13.57271 -21.40726      18.79042 
1 1 1 17  19 20 o 206.1225 11.55815 1259.209       139.1621 1375.829       204.3024 1158.264       190.0767 214.3772 16.37355 196.5254 16.64797 17.85175       23.35055 
1 1 1 17  19 21 o 205.2829 11.30992 1249.321       135.6380 1099.007       206.9408 1362.534       179.5949 190.6467 18.75066 213.7041 14.41380 -23.05736      23.65047 
1 1 1 17  19 22 o 164.0153 14.51996 805.9700       138.2277 595.9572       270.0271 880.5446       160.9089 134.8737 34.11820 171.0522 16.23421 -36.17850      37.78361 
1 1 1 17  19 23 o 408.7278 9.010446 4927.225       215.9887 4810.670       308.8661 5038.768       302.1528 402.3664 13.10623 412.0408 12.51814 -9.674438      18.12394 
1 1 1 17  19 24 o 231.4471 9.637330 1584.486       130.5292 1584.086       226.3110 1584.685       159.7846 229.3704 16.94316 230.9571 11.83597 -1.586700      20.66787 
1 1 1 17  19 25 o 292.4384 8.884841 2526.129       152.2056 2826.090       269.3698 2385.441       184.4779 307.3073 14.99125 283.5867 11.11347 23.72055       18.66137 
1 1 1 17  19 26 f 170.6980 12.37349 870.5419       123.0305 933.6848       234.8868 846.6690       144.4275 172.7162 23.82240 167.6504 14.84227 5.065765       28.06776 
1 1 1 17  19 27 o 36.38894 17.48289 -152.0782      108.6956 -318.6583      272.7111 -120.6171      118.5163 58.57209 28.02131 40.74913 19.19359 17.82296       33.96450 
1 1 1 17  19 28 o 120.4255 15.20622 443.2735       105.0066 434.9407       228.6711 445.5002       118.2067 112.9546 32.67060 120.0414 17.28821 -7.086815      36.96283 
1 1 1 17  19 29 o 108.1281 17.27213 364.5573       105.8468 302.8607       261.2312 376.6759       115.7764 97.07539 35.37270 109.4141 18.71463 -12.33874      40.01831 
1 1 1 17  19 30 o 158.0626 12.24654 753.5349       112.6405 1041.366       263.8582 689.3901       124.5610 178.1870 26.01602 150.3877 14.29442 27.79929       29.68440 
1 1 1 17  19 31 o 64.24384 22.19788 123.4640       101.6670 225.2153       248.1937 102.9482       111.4461 87.32088 33.88675 61.92042 23.01052 25.40046       40.96091 
1 1 1 17  19 32 o 50.98614 20.66553 44.09233       96.18641 42.56026       247.5926 44.36466       104.3854 71.89520 31.31625 52.48719 21.43329 19.40800       37.94856 
1 1 1 17  19 33 f 151.5431 12.99673 700.1989       114.3960 952.6792       263.5277 641.5749       126.9843 166.6810 27.94639 143.9761 15.27126 22.70493       31.84670 
1 1 1 17  19 34 o 77.18745 22.47368 199.0647       107.8801 130.8875       252.1338 214.3430       119.3574 77.39552 32.59693 79.72993 23.75279 -2.334412      40.33305 
1 1 1 17  19 35 o 58.43529 22.16353 91.10771       104.5276 148.3831       245.1122 78.37645       115.5624 77.70794 32.39330 58.01707 22.94138 19.69087       39.69424 
1 1 1 17  19 36 o 55.41029 22.39052 63.47127       112.5264 -191.1458      239.8186 135.3543       127.4243 56.06669 26.67039 66.79641 24.64458 -10.72972      36.31343 
1 1 1 17  19 37 o 51.81771 21.91905 32.35136       114.8090 316.1961       238.3127 -53.43700      131.0150 91.44512 33.70929 46.74903 21.37083 44.69609       39.91276 
1 1 1 17  19 38 o 96.66036 20.21475 312.7152       110.9044 135.4446       247.7709 357.1308       124.0222 75.09428 31.99927 102.8271 21.26794 -27.73283      38.42237 
1 1 1 17  19 39 o 71.16638 23.67594 172.5022       115.5692 292.6206       274.7821 146.6879       127.3837 88.08213 35.19733 67.57622 24.68897 20.50591       42.99299 
1 1 1 17  19 40 o 59.43796 22.84284 99.35085       111.9829 -283.3347      262.0626 184.8377       123.8607 54.11031 26.27439 73.05743 24.51452 -18.94712      35.93473 
1 1 1 17  19 41 f 57.62835 22.34537 90.89070       107.8528 107.0600       114.9955 -27.27236      310.8682 60.62506 23.18609 68.93614 32.01308 -8.311077      39.52761 
1 1 1 17  20 0  o 444.7651 18.40365 5901.083       479.0115 0.000000       0.000000 5901.083       479.0115 ?        ?        444.7651 18.40365 0.000000       18.40365 
1 1 1 17  20 1  f 327.2711 10.87659 3161.349       208.4717 3284.332       268.7171 2975.430       330.3964 332.9299 13.79220 315.7233 17.91697 17.20667       22.61067 
1 1 1 17  20 2  o 371.0424 9.802249 4057.790       213.1176 4223.592       257.8269 3700.138       378.6724 378.1593 11.63912 352.0188 18.40597 26.14053       21.77725 
1 1 1 17  20 3  o 278.6895 10.86623 2293.384       177.2625 2397.053       214.6679 2071.186       314.2769 284.5303 12.89789 262.4464 20.58295 22.08386       24.29020 
1 1 1 17  20 4  o 289.1899 10.17815 2467.205       172.3554 2513.656       200.2716 2334.551       338.4377 291.6161 11.73397 278.6159 20.86353 13.00018       23.93685 
1 1 1 17  20 5  o 245.1058 9.982416 1772.815       143.1957 1754.735       160.0629 1845.294       320.4743 243.6471 11.23178 247.0337 22.36203 -3.386566      25.02426 
1 1 1 17  20 6  o 261.0753 15.83974 2029.549       241.3883 2049.501       348.5195 2011.153       334.6518 260.1745 23.08005 257.9666 22.33967 2.207916       32.12085 
1 1 1 17  20 7  o 250.8457 9.864563 1856.457       144.8396 1855.633       161.3289 1859.881       328.8656 250.6040 11.00357 247.8250 22.88515 2.779053       25.39308 
1 1 1 17  20 8  o 551.9737 12.84773 9003.942       415.9061 9003.942       415.9061 0.000000       0.000000 551.9737 12.84773 ?        ?        0.000000       12.84773 
1 1 1 17  20 9  o 401.5608 11.91908 4764.268       280.3906 4764.268       280.3906 0.000000       0.000000 401.5608 11.91908 ?        ?        0.000000       11.91908 
1 1 1 17  20 10 o 310.1786 11.53807 2842.681       209.5260 2842.681       209.5260 0.000000       0.000000 310.1786 11.53807 ?        ?        0.000000       11.53807 
1 1 1 17  20 11 o 183.6037 33.92331 1069.173       351.8311 1069.173       351.8311 0.000000       0.000000 183.6037 33.92331 ?        ?        0.000000       33.92331 
1 1 1 17  20 12 o 271.2318 13.80197 2181.611       218.8277 2181.611       218.8277 0.000000       0.000000 271.2318 13.80197 ?        ?        0.000000       13.80197 
1 1 1 17  20 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  20 14 o 379.6849 16.08432 4285.021       357.3483 4285.021       357.3483 0.000000       0.000000 379.6849 16.08432 ?        ?        0.000000       16.08432 
1 1 1 17  20 15 o 287.7299 10.43338 2443.227       175.7685 2576.102       213.3486 2162.498       310.1072 295.0873 12.35522 268.4023 19.84067 26.68506       23.37314 
1 1 1 17  20 16 o 144.9435 22.75244 645.4985       187.0463 872.3434       348.5232 553.7285       221.6755 164.1696 37.07744 132.2688 29.34436 31.90083       47.28455 
1 1 1 17  20 17 o 240.5711 10.22708 1709.250       143.9639 2034.218       192.2955 1294.828       217.1552 262.0319 12.54956 207.6708 18.00751 54.36108       21.94908 
1 1 1 17  20 18 o 235.6512 10.61601 1641.653       146.3406 1658.986       197.2071 1620.411       218.3121 236.1220 14.30799 232.9060 16.08130 3.215958       21.52502 
1 1 1 17  20 19 o 236.6541 9.891248 1654.440       136.9799 1688.365       192.0927 1619.342       195.3871 238.2502 13.80676 233.1787 14.35713 5.071503       19.91868 
1 1 1 17  20 20 o 160.9652 12.67707 772.1134       118.7092 910.4098       184.0862 673.6656       155.3169 173.4465 18.37613 148.9933 18.14866 24.45325       25.82743 
1 1 1 17  20 21 o 262.1768 9.072392 2029.239       139.2874 2355.934       228.1498 1835.122       175.8657 281.2908 13.87254 248.6481 12.09625 32.64268       18.40561 
1 1 1 17  20 22 o 75.79269 22.44384 177.6185       106.8216 130.5022       185.5104 200.9908       130.6570 76.19055 29.36956 80.83108 25.01332 -4.640526      38.57767 
1 1 1 17  20 23 o 94.40510 19.68631 278.3215       105.4612 22.12268       185.2741 401.1194       128.2690 65.35349 27.75317 113.7374 19.95699 -48.38390      34.18362 
1 1 1 17  20 24 o 86.62110 21.31835 236.7930       107.5548 -18.16327      198.3255 343.0183       128.0146 63.96159 27.94114 104.4303 21.61450 -40.46867      35.32554 
1 1 1 17  20 25 o 151.5004 12.78742 687.5018       112.5581 773.7512       215.8212 655.2770       131.9200 156.8324 24.24557 147.1498 15.51971 9.682587       28.78731 
1 1 1 17  20 26 o 39.68319 18.43283 -84.49134      103.1594 -317.8652      274.3752 -46.07026      111.3278 58.88890 28.15493 44.91411 20.19732 13.97480       34.65013 
1 1 1 17  20 27 o 38.87420 17.98471 -72.98390      96.72906 136.5895       204.5737 -133.3299      109.7756 77.37168 30.54583 37.72091 17.97190 39.65077       35.44061 
1 1 1 17  20 28 o 249.2158 8.257557 1839.881       120.5251 2116.121       223.7270 1726.934       143.0586 264.5773 14.47347 240.8114 10.15224 23.76588       17.67906 
1 1 1 17  20 29 o 55.53836 20.92608 76.15773       92.82570 349.2477       191.3952 -7.835413      106.1451 100.9851 30.07685 47.00126 20.48825 53.98382       36.39210 
1 1 1 17  20 30 f 146.4550 12.11668 648.1202       103.1426 701.1743       209.8145 631.2134       118.4421 145.5791 25.50356 143.7193 14.23907 1.859802       29.20929 
1 1 1 17  20 31 o 245.9915 9.348653 1803.988       134.6259 1912.401       294.6558 1775.386       151.3463 245.7276 20.63657 243.4505 10.62571 2.277161       23.21150 
1 1 1 17  20 32 o 94.08498 19.67265 287.2868       105.0531 237.1424       268.0483 296.3867       114.1881 88.21439 34.92144 95.01295 21.04696 -6.798553      40.77354 
1 1 1 17  20 33 o 105.3749 17.05221 352.4995       101.7845 105.6115       246.8456 403.0759       111.7247 75.16952 31.98226 112.6160 17.48266 -37.44644      36.44870 
1 1 1 17  20 34 o 113.8633 16.41233 409.4329       106.4378 586.4043       250.3810 370.3977       117.5921 124.2714 33.56885 106.6836 19.51330 17.58775       38.82830 
1 1 1 17  20 35 o 61.07520 22.66168 106.9996       108.0155 435.5900       243.6160 26.59561       120.5084 105.7215 34.33440 52.41477 22.32509 53.30677       40.95438 
1 1 1 17  20 36 o 37.71623 17.79548 -95.15126      102.6717 127.1224       246.6802 -141.7246      112.9170 75.06203 31.95525 37.04707 17.80428 38.01495       36.58046 
1 1 1 17  20 37 o 67.97442 22.68842 153.1033       106.1128 46.31657       259.0275 174.6383       116.3213 69.97807 31.18537 71.84654 23.74778 -1.868477      39.19801 
1 1 1 17  20 38 o 95.48412 19.06042 302.1462       102.9960 278.3305       251.6745 306.9373       112.8815 86.79779 33.99715 95.27575 20.78765 -8.477959      39.84887 
1 1 1 17  20 39 o 225.5555 10.85303 1546.608       143.1458 1546.608       143.1458 0.000000       0.000000 225.5555 10.85303 ?        ?        0.000000       10.85303 
1 1 1 17  20 40 o 39.95411 18.27020 -43.59901      95.85191 -34.98504      100.2252 -135.8929      328.0663 41.70621 18.91979 66.07874 31.36417 -24.37252      36.62881 
1 1 1 17  21 0  o 272.3542 10.70830 2190.522       170.7096 2344.308       212.0364 1907.194       287.8045 281.3316 12.88534 251.9709 19.63066 29.36066       23.48180 
1 1 1 17  21 1  o 335.8765 18.06051 3369.315       354.4541 0.000000       0.000000 3369.315       354.4541 ?        ?        335.8765 18.06051 0.000000       18.06051 
1 1 1 17  21 2  o 222.0071 10.12007 1455.373       131.4187 1511.609       148.2975 1249.656       283.6364 226.0872 11.21931 202.2261 24.40836 23.86119       26.86337 
1 1 1 17  21 3  o 209.1676 11.10047 1294.093       135.6839 1357.030       154.6545 1083.726       282.7473 213.9874 12.37602 187.4732 26.45046 26.51416       29.20261 
1 1 1 17  21 4  o 549.7813 13.85915 8950.493       446.5094 8983.815       596.2229 8907.937       673.7867 548.6971 18.55456 544.9830 21.12087 3.714050       28.11340 
1 1 1 17  21 5  o 278.9396 9.716549 2294.663       158.7117 2342.717       182.8958 2148.146       319.3629 281.6066 11.09587 267.2338 20.53446 14.37280       23.34057 
1 1 1 17  21 6  o 237.0567 10.34094 1659.389       143.4223 1717.044       161.0178 1437.997       315.5284 240.9647 11.42639 216.8336 25.28599 24.13106       27.74786 
1 1 1 17  21 7  o 200.1060 10.69097 1183.866       125.0111 1228.680       136.7202 955.3416       308.7388 203.7417 11.48855 174.1584 31.38117 29.58336       33.41803 
1 1 1 17  21 8  f 236.9943 10.23352 1658.176       141.9021 1738.594       156.0318 1273.516       341.2524 242.5588 10.99706 202.3919 29.62694 40.16693       31.60207 
1 1 1 17  21 9  o 604.6993 14.09073 10822.18       499.7161 10822.18       499.7161 0.000000       0.000000 604.6993 14.09073 ?        ?        0.000000       14.09073 
1 1 1 17  21 10 o 295.2566 21.97604 2626.951       377.8104 2626.951       377.8104 0.000000       0.000000 295.2566 21.97604 ?        ?        0.000000       21.97604 
1 1 1 17  21 11 o 246.8918 26.55899 1864.488       378.5233 1864.488       378.5233 0.000000       0.000000 246.8918 26.55899 ?        ?        0.000000       26.55899 
1 1 1 17  21 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  21 13 o 265.8182 25.60754 2153.483       394.2769 2153.483       394.2769 0.000000       0.000000 265.8182 25.60754 ?        ?        0.000000       25.60754 
1 1 1 17  21 14 o 298.0191 11.72223 2625.588       204.4828 2625.588       204.4828 0.000000       0.000000 298.0191 11.72223 ?        ?        0.000000       11.72223 
1 1 1 17  21 15 o 199.3009 31.73691 1248.630       358.5292 1248.630       358.5292 0.000000       0.000000 199.3009 31.73691 ?        ?        0.000000       31.73691 
1 1 1 17  21 16 o 268.4275 9.406246 2125.369       147.8503 2051.076       187.4222 2247.775       240.5751 263.1638 12.17652 274.8374 14.98200 -11.67358      19.30616 
1 1 1 17  21 17 o 216.4959 10.46797 1385.994       132.5175 1515.071       168.7948 1178.623       213.9473 225.9220 12.79169 197.7417 18.66937 28.18037       22.63124 
1 1 1 17  21 18 o 36.75992 17.43434 -119.9701      100.9813 -291.9442      121.8958 256.2406       180.2905 33.00273 16.38721 91.76153 29.51461 -58.75880      33.75874 
1 1 1 17  21 19 o 114.9905 15.76454 400.9245       103.5191 431.8721       135.8906 358.1323       159.7931 118.2432 20.32841 106.2025 25.89266 12.04070       32.91921 
1 1 1 17  21 20 o 168.5074 10.87549 842.8071       106.9038 976.6254       157.8232 729.3531       145.3192 180.5015 15.04539 155.5283 16.16739 24.97321       22.08502 
1 1 1 17  21 21 o 70.02215 21.49434 149.3434       96.71473 129.8909       151.4617 162.7352       125.6710 72.14924 26.82275 74.32676 24.68789 -2.177521      36.45479 
1 1 1 17  21 22 o 170.0315 10.88177 858.8116       107.9429 859.7263       172.9719 858.2282       138.1429 168.3429 17.78857 169.2555 14.04297 -0.9125977     22.66359 
1 1 1 17  21 23 f 60.06511 21.46254 95.82893       95.60023 -139.2382      167.1395 210.1272       116.5475 50.07610 23.32860 81.73647 23.22446 -31.66037      32.91807 
1 1 1 17  21 24 o 179.2570 10.17965 953.9731       106.5788 813.1569       190.5575 1018.075       128.5684 162.3789 20.46344 184.7860 11.92726 -22.40712      23.68569 
1 1 1 17  21 25 o 33.54213 15.93194 -101.4640      84.94463 198.9770       172.9313 -197.0080      97.52045 82.29792 28.91780 31.12709 15.30585 51.17083       32.71862 
1 1 1 17  21 26 o 291.8767 8.710725 2522.206       148.9423 2575.130       320.3627 2507.612       168.2291 289.8524 18.94970 290.6325 9.884140 -0.7801208     21.37259 
1 1 1 17  21 27 o 137.6035 11.25238 568.0887       90.01576 1046.676       189.2679 428.1902       102.3300 184.3967 17.71927 118.2015 15.10624 66.19521       23.28457 
1 1 1 17  21 28 o 233.0112 8.195786 1609.935       111.8256 1887.602       201.0557 1485.566       134.5588 249.8676 13.77334 223.0957 10.31209 26.77194       17.20593 
1 1 1 17  21 29 o 104.7217 14.53961 338.1777       86.89207 419.4957       177.2763 312.4635       99.68827 111.0595 27.39101 99.43899 17.74476 11.62055       32.63654 
1 1 1 17  21 30 o 284.3386 7.903265 2398.204       131.6653 2406.093       219.6807 2393.781       164.4813 281.8614 13.32716 283.1475 9.920300 -1.286133      16.61402 
1 1 1 17  21 31 o 132.4236 12.33745 533.0323       94.71429 243.0288       200.6109 616.2186       107.4432 85.94189 31.04316 142.1792 13.02997 -56.23731      33.66687 
1 1 1 17  21 32 f 157.6736 11.05290 750.7643       101.5608 456.0692       201.1297 851.6205       117.6633 112.5983 29.94191 167.5267 12.05649 -54.92835      32.27812 
1 1 1 17  21 33 o 52.71791 20.22073 68.22305       87.63216 151.0389       240.9337 55.59689       94.07551 77.91961 32.26728 51.79700 20.62889 26.12261       38.29789 
1 1 1 17  21 34 o 73.73098 20.66686 180.9408       92.93941 -31.57440      253.5735 213.9194       99.89073 66.00131 30.00128 79.92241 21.03046 -13.92110      36.63819 
1 1 1 17  21 35 o 101.9849 17.42972 335.1260       100.5081 98.45705       257.1082 377.8168       109.1973 73.94006 32.06214 108.2029 17.82805 -34.26286      36.68542 
1 1 1 17  21 36 o 107.5412 16.48984 369.9626       100.6897 395.0211       103.0118 -167.1427      476.9135 111.3067 16.26013 77.09077 36.92770 34.21590       40.34906 
1 1 1 17  21 37 o 43.72924 19.04503 1.178537       91.54496 -6.418510      93.10789 221.7843       501.7329 43.21555 19.00367 90.69784 41.59616 -47.48228      45.73161 
1 1 1 17  21 38 o 203.8206 11.35088 1267.304       135.1479 1364.420       144.1771 563.9913       387.9936 211.2667 11.68177 107.3097 42.15795 103.9570       43.74651 
1 1 1 17  21 39 o 177.1938 11.50541 960.5148       118.9177 983.2111       128.0581 818.3377       320.5118 178.7662 12.28913 136.1203 38.45862 42.64590       40.37435 
1 1 1 17  22 0  o 206.3974 10.99794 1260.069       132.6463 1322.571       153.1191 1072.094       265.5411 211.2227 12.41531 186.9317 24.83523 24.29097       27.76560 
1 1 1 17  22 1  o 157.4693 11.67762 735.8862       107.0776 836.7672       119.0946 310.3137       244.6099 167.8881 12.17822 102.3038 34.45126 65.58434       36.54037 
1 1 1 17  22 2  o 109.7031 13.86020 361.6700       87.18739 367.2908       93.51504 324.3026       241.1191 110.3776 14.82023 103.7423 34.18648 6.635307       37.26063 
1 1 1 17  22 3  o 420.6898 13.29828 5238.998       327.6891 5185.132       469.8317 5290.021       457.2684 416.3657 19.29297 420.8655 18.57155 -4.499756      26.77912 
1 1 1 17  22 4  o 175.4785 11.27095 912.1263       115.3805 991.0698       126.3193 514.6286       283.4515 182.8517 11.84303 126.7484 36.28584 56.10330       38.16962 
1 1 1 17  22 5  o 390.4117 10.03350 4493.954       229.5439 4445.547       265.8043 4635.957       455.2566 387.9243 11.69663 393.4834 19.79138 -5.559082      22.98934 
1 1 1 17  22 6  o 31.58354 15.01731 -95.21046      75.86449 -100.7743      78.22868 -7.311679      310.9365 31.86705 15.17962 81.62680 35.32747 -49.75975      38.45063 
1 1 1 17  22 7  o 281.9069 10.54097 2345.797       173.9687 2500.714       195.5979 1759.242       380.5995 290.9027 11.48737 239.2709 27.62931 51.63185       29.92220 
1 1 1 17  22 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  22 9  o 193.3073 11.97789 1107.219       135.1265 1107.219       135.1265 0.000000       0.000000 193.3073 11.97789 ?        ?        0.000000       11.97789 
1 1 1 17  22 10 o 335.1447 11.82566 3319.253       232.0743 3319.253       232.0743 0.000000       0.000000 335.1447 11.82566 ?        ?        0.000000       11.82566 
1 1 1 17  22 11 o 550.9132 13.55260 8977.371       437.8812 8977.371       437.8812 0.000000       0.000000 550.9132 13.55260 ?        ?        0.000000       13.55260 
1 1 1 17  22 12 o 397.3334 19.78212 4727.830       459.5265 4727.830       459.5265 0.000000       0.000000 397.3334 19.78212 ?        ?        0.000000       19.78212 
1 1 1 17  22 13 o 175.0080 11.83968 908.4414       120.8049 908.4414       120.8049 0.000000       0.000000 175.0080 11.83968 ?        ?        0.000000       11.83968 
1 1 1 17  22 14 o 110.4872 40.21992 340.2818       337.6129 340.2818       337.6129 0.000000       0.000000 110.4872 40.21992 ?        ?        0.000000       40.21992 
1 1 1 17  22 15 o 153.2145 11.67568 697.4414       104.1236 640.8452       112.3682 1041.216       276.9407 146.5531 13.21552 183.2584 26.53912 -36.70532      29.64751 
1 1 1 17  22 16 o 115.2140 13.19373 398.1223       87.54432 321.5719       96.68238 746.6176       206.2871 102.6607 16.62620 155.5942 23.32410 -52.93355      28.64339 
1 1 1 17  22 17 o 146.4653 11.50172 638.0190       98.00591 652.0552       114.1564 598.6730       191.1286 147.7288 13.31890 138.5162 24.41946 9.212677       27.81552 
1 1 1 17  22 18 o 147.2592 11.35641 645.0559       97.32138 703.9446       120.3551 533.8129       165.4189 153.4365 13.51265 131.1223 22.30909 22.31424       26.08232 
1 1 1 17  22 19 o 40.55361 17.61455 -10.33060      77.87021 80.41867       97.78944 -167.5989      128.7333 57.97408 21.55258 40.43361 19.31884 17.54048       28.94359 
1 1 1 17  22 20 o 201.2357 8.730450 1196.370       102.7916 1268.208       151.0699 1134.438       140.2689 206.4022 12.53912 195.2258 12.31379 11.17644       17.57438 
1 1 1 17  22 21 o 224.3965 8.117120 1485.979       106.6479 1391.574       156.7122 1567.416       145.5513 216.2185 12.41046 229.9120 10.82493 -13.69347      16.46811 
1 1 1 17  22 22 o 105.4314 13.20502 335.5536       79.86469 384.5091       128.6149 304.8300       101.8887 110.9998 20.51230 99.17088 18.18834 11.82893       27.41478 
1 1 1 17  22 23 o 140.3663 10.53163 586.7249       86.06582 716.3500       150.7042 523.9866       104.8449 153.4318 17.03462 131.8730 13.75843 21.55873       21.89687 
1 1 1 17  22 24 o 40.19733 17.10321 3.228297       70.59679 106.3746       138.8723 -32.71675      81.98004 66.95269 25.51049 38.88799 17.42192 28.06470       30.89189 
1 1 1 17  22 25 o 223.5585 7.814713 1477.659       102.3025 1398.315       176.1262 1518.058       125.6769 215.5154 14.01056 226.1592 9.496383 -10.64384      16.92564 
1 1 1 17  22 26 o 60.09191 18.37712 111.5383       70.78081 140.1132       147.9392 103.0554       80.60517 71.63534 26.53198 59.05872 19.77545 12.57662       33.09100 
1 1 1 17  22 27 o 307.1038 7.551871 2788.972       136.0161 2912.497       216.0740 2707.899       175.0507 311.7228 11.84060 301.5408 9.911918 10.18201       15.44169 
1 1 1 17  22 28 o 96.38732 13.65258 285.5961       75.01910 336.3720       246.5017 280.4133       78.75483 98.84152 34.54061 95.19830 14.56845 3.643219       37.48724 
1 1 1 17  22 29 o 197.5134 8.192965 1159.135       94.69873 1130.875       191.8611 1168.237       108.8866 190.8326 17.33174 197.8776 9.409646 -7.045013      19.72133 
1 1 1 17  22 30 o 68.16320 18.01422 149.5571       73.08817 70.93169       182.1000 164.6552       79.79762 66.46155 27.82858 71.33618 18.80885 -4.874634      33.58872 
1 1 1 17  22 31 o 172.4046 9.005780 888.2339       90.74283 731.1130       182.3176 939.9736       104.6221 150.0619 21.31497 176.9359 10.12451 -26.87399      23.59732 
1 1 1 17  22 32 o 96.44131 13.78796 288.9403       75.76865 87.19021       183.8956 330.1926       83.15491 67.31140 28.05865 103.0701 14.12778 -35.75865      31.41468 
1 1 1 17  22 33 o 123.5420 12.66091 468.3614       90.43759 481.9147       92.13118 109.8435       473.8474 125.3106 12.71197 88.81457 40.61648 36.49606       42.55928 
1 1 1 17  22 34 o 46.61509 18.18802 48.71054       71.80370 42.80444       72.53725 336.3038       506.1744 45.74936 18.14858 98.14039 43.67374 -52.39103      47.29446 
1 1 1 17  22 35 o 54.53389 19.76047 86.12776       81.36789 97.77294       82.66920 -275.0571      460.4001 56.81220 19.99147 73.18874 35.36735 -16.37654      40.62645 
1 1 1 17  22 36 o 60.77230 20.88572 117.0287       89.96099 106.0304       91.57031 421.7046       481.9612 58.91547 21.01045 99.19941 43.44057 -40.28394      48.25476 
1 1 1 17  22 37 o 109.9156 16.70675 388.9948       104.3106 398.3158       107.9139 256.3720       407.0585 111.0045 17.12658 88.70840 39.33817 22.29605       42.90468 
1 1 1 17  22 38 o 70.26292 22.10294 168.8716       101.5772 241.7145       108.6765 -334.6519      285.7274 83.46776 21.92265 55.05803 26.88989 28.40973       34.69393 
1 1 1 17  22 39 o 117.7199 30.63692 540.9528       213.5273 902.6995       317.0398 240.6370       288.8688 144.9055 37.13840 83.16400 34.95061 61.74155       50.99810 
1 1 1 17  23 0  o 103.5276 15.74682 325.0137       92.60014 342.5390       99.35697 209.1513       255.4678 106.1812 16.48985 92.42805 34.73909 13.75314       38.45412 
1 1 1 17  23 1  o 95.18437 16.73755 276.8659       90.02537 321.8826       96.37562 -31.35662      252.1811 102.8534 16.53761 72.13314 31.50912 30.72022       35.58535 
1 1 1 17  23 2  o 65.96656 19.64835 131.7245       81.67852 175.3623       86.02904 -267.2874      260.1395 75.24963 19.37716 60.21225 28.38414 15.03738       34.36762 
1 1 1 17  23 3  o 189.1771 11.13472 1059.233       122.9911 1048.611       135.1561 1110.397       296.6331 188.0273 12.32438 189.4596 27.49901 -1.432327      30.13446 
1 1 1 17  23 4  o 331.4040 10.65249 3241.242       206.7735 3258.393       241.7360 3194.479       399.1620 331.8969 12.44105 326.0313 20.98709 5.865631       24.39750 
1 1 1 17  23 5  o 212.4056 11.16129 1334.374       138.5492 1242.366       150.2258 1858.159       358.4340 204.6913 12.57465 246.9199 25.10004 -42.22853      28.07372 
1 1 1 17  23 6  o 322.3499 10.54983 3066.232       199.1766 3054.375       224.7910 3109.546       429.6439 321.4419 11.94488 320.9100 22.98049 0.5318909      25.89948 
1 1 1 17  23 7  o 280.1976 17.98571 2346.476       293.9970 2889.193       432.4576 1880.112       400.8843 308.8421 24.06557 247.2237 28.14978 61.61842       37.03460 
1 1 1 17  23 8  f 303.5143 11.62451 2722.627       206.5384 2624.681       235.3098 3051.292       431.0462 297.5855 13.51802 317.7087 23.29560 -20.12326      26.93365 
1 1 1 17  23 9  o 184.2769 12.22172 1007.235       131.3387 1007.235       131.3387 0.000000       0.000000 184.2769 12.22172 ?        ?        0.000000       12.22172 
1 1 1 17  23 10 o 323.5977 11.56157 3094.642       219.0656 3094.642       219.0656 0.000000       0.000000 323.5977 11.56157 ?        ?        0.000000       11.56157 
1 1 1 17  23 11 o 357.7004 12.09303 3783.864       253.3263 3783.864       253.3263 0.000000       0.000000 357.7004 12.09303 ?        ?        0.000000       12.09303 
1 1 1 17  23 12 o 196.2278 11.26211 1140.299       129.0633 1140.299       129.0633 0.000000       0.000000 196.2278 11.26211 ?        ?        0.000000       11.26211 
1 1 1 17  23 13 o 447.1101 19.10803 5989.590       499.8945 5989.590       499.8945 0.000000       0.000000 447.1101 19.10803 ?        ?        0.000000       19.10803 
1 1 1 17  23 14 o 218.6252 10.98671 1414.736       140.4185 1414.736       140.4185 0.000000       0.000000 218.6252 10.98671 ?        ?        0.000000       10.98671 
1 1 1 17  23 15 o 110.5756 13.60363 367.8057       86.36226 367.8057       86.36226 0.000000       0.000000 110.5756 13.60363 ?        ?        0.000000       13.60363 
1 1 1 17  23 16 o 201.6966 9.173849 1201.901       108.2336 1143.597       125.3082 1373.182       214.7750 196.4248 10.92058 213.6752 17.28621 -17.25038      20.44682 
1 1 1 17  23 17 o 154.5471 10.21274 708.4051       92.04765 747.2143       106.1524 590.7822       184.8027 158.5077 11.49717 137.5594 23.76615 20.94827       26.40104 
1 1 1 17  23 18 o 31.32771 14.25981 -35.06559      57.53338 -20.09475      63.56876 -102.8655      135.2805 35.14959 15.56858 46.04380 21.29007 -10.89421      26.37514 
1 1 1 17  23 19 o 59.57637 16.22587 109.6002       58.21423 70.85657       68.60911 209.1958       110.0022 51.61942 18.20817 81.60914 22.33656 -29.98972      28.81770 
1 1 1 17  23 20 o 189.2906 7.782146 1057.458       86.20886 1138.420       124.5825 983.0717       119.4170 195.8288 10.89040 181.8573 11.25167 13.97154       15.65889 
1 1 1 17  23 21 o 198.1242 7.565913 1158.279       87.75072 1206.188       130.7200 1118.982       118.3906 201.4704 11.10616 194.1811 10.43416 7.289230       15.23871 
1 1 1 17  23 22 f 240.3432 8.823207 1708.293       124.1570 1839.590       328.8086 1686.459       134.0831 243.4966 23.30924 238.6152 9.600923 4.881378       25.20910 
1 1 1 17  23 23 o 193.1744 7.091466 1101.318       80.20445 1103.629       126.3708 1099.760       103.7871 192.4490 11.24545 192.6139 9.214390 -0.1649170     14.53840 
1 1 1 17  23 24 o 79.42170 12.11600 192.2024       54.65108 188.7453       85.82188 194.5606       70.88044 77.12975 19.07914 78.99112 15.85185 -1.861374      24.80513 
1 1 1 17  23 25 o 141.6365 7.894656 594.9223       65.31861 642.6597       110.1115 569.0032       81.13588 145.8712 13.00732 138.0143 10.09373 7.856903       16.46432 
1 1 1 17  23 26 o 173.1185 8.717673 890.9296       88.22560 1051.671       291.7892 874.7556       92.55791 177.0820 29.10634 171.3919 9.242347 5.690186       30.53850 
1 1 1 17  23 27 o 113.8670 9.429991 388.1635       62.40955 574.7943       135.6568 338.0581       70.28969 135.7780 17.43786 105.6598 11.52997 30.11815       20.90500 
1 1 1 17  23 28 o 135.7918 8.299233 549.1076       65.77833 568.3151       151.8735 544.6726       72.97839 133.5129 20.01164 134.9846 9.274857 -1.471649      22.05649 
1 1 1 17  23 29 o 65.33321 25.43581 106.4188       140.1879 77.00440       145.9756 455.4442       502.8390 62.57275 25.42286 110.8157 46.31076 -48.24293      52.83000 
1 1 1 17  23 30 o 209.0736 8.612692 1303.012       105.3799 1312.053       107.7345 1102.918       506.8148 209.7329 8.778067 152.9245 49.51131 56.80843       50.28344 
1 1 1 17  23 31 o 36.42226 15.42386 7.198090       56.95340 4.947198       57.35051 168.0482       484.8090 36.18026 15.40543 92.82468 41.90868 -56.64442      44.65047 
1 1 1 17  23 32 o 78.46764 15.80963 196.7102       70.23764 207.2860       70.96965 -308.0381      490.2911 80.69267 15.56041 76.01830 36.67607 4.674370       39.84044 
1 1 1 17  23 33 o 70.45399 17.85261 162.5748       73.84435 184.4825       74.73644 -738.7028      479.3613 75.27232 17.29359 64.67256 32.17666 10.59975       36.52952 
1 1 1 17  23 34 o 58.08045 19.13293 106.7427       75.52641 111.0310       76.66412 -34.53125      440.0290 59.02944 19.26706 79.62273 37.33971 -20.59328      42.01753 
1 1 1 17  23 35 f 55.26999 19.90487 90.23834       82.40451 87.51212       83.69703 176.4672       470.7126 54.91258 20.02019 88.14172 40.37381 -33.22914      45.06498 
1 1 1 17  23 36 o 42.94866 18.59203 4.941071       86.15811 17.13145       88.02523 -273.3069      420.5470 44.84372 19.08972 69.42753 33.61065 -24.58381      38.65350 
1 1 1 17  23 37 o 116.9704 15.77461 436.6724       105.4585 488.9023       113.0676 87.33507       292.4160 123.7481 15.94989 73.88771 33.01701 49.86037       36.66772 
1 1 1 17  23 38 o 77.26611 21.60808 206.6720       101.7216 274.3044       110.2899 -178.5616      263.2209 89.22166 21.36089 58.03252 27.69918 31.18913       34.97902 
1 1 1 17  24 0  o 136.2390 14.37375 555.6068       113.1186 0.000000       0.000000 555.6068       113.1186 ?        ?        136.2390 14.37375 0.000000       14.37375 
1 1 1 17  24 1  o 220.5073 9.885229 1435.363       127.5131 2797.635       487.4760 1335.306       132.1129 302.1685 27.81971 212.5542 10.63178 89.61432       29.78206 
1 1 1 17  24 2  o 368.9297 24.28617 4120.548       522.5540 4120.548       522.5540 0.000000       0.000000 368.9297 24.28617 ?        ?        0.000000       24.28617 
1 1 1 17  24 3  o 425.1223 22.15448 5438.589       550.4587 5438.589       550.4587 0.000000       0.000000 425.1223 22.15448 ?        ?        0.000000       22.15448 
1 1 1 17  24 4  o 250.3864 19.76654 1884.068       287.9102 2581.435       465.1522 1450.979       366.5671 290.2106 27.66376 216.1288 29.70435 74.08173       40.59104 
1 1 1 17  24 5  o 227.3378 10.84631 1527.596       144.1949 1549.677       157.3455 1411.817       360.2945 228.8202 11.76440 213.1606 29.61956 15.65962       31.87035 
1 1 1 17  24 6  o 156.0231 12.39999 723.6254       112.5320 736.4116       119.4271 622.3870       336.0501 157.2882 13.06444 138.4375 39.46971 18.85077       41.57568 
1 1 1 17  24 7  o 58.64599 27.68247 -261.6199      248.9365 -88.30404      384.8607 -386.2917      326.4138 85.74928 38.12548 65.07414 31.00027 20.67513       49.13826 
1 1 1 17  24 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  24 9  o 233.6394 10.84351 1613.862       148.1769 1613.862       148.1769 0.000000       0.000000 233.6394 10.84351 ?        ?        0.000000       10.84351 
1 1 1 17  24 10 o 391.3460 11.92430 4529.477       273.3615 4529.477       273.3615 0.000000       0.000000 391.3460 11.92430 ?        ?        0.000000       11.92430 
1 1 1 17  24 11 o 361.6153 11.64417 3867.413       246.6262 3867.413       246.6262 0.000000       0.000000 361.6153 11.64417 ?        ?        0.000000       11.64417 
1 1 1 17  24 12 o 213.8089 11.16784 1353.749       139.5524 1353.749       139.5524 0.000000       0.000000 213.8089 11.16784 ?        ?        0.000000       11.16784 
1 1 1 17  24 13 o 121.6342 12.46563 442.3622       87.66766 442.3622       87.66766 0.000000       0.000000 121.6342 12.46563 ?        ?        0.000000       12.46563 
1 1 1 17  24 14 o 161.4331 11.24330 774.0692       105.7825 774.0692       105.7825 0.000000       0.000000 161.4331 11.24330 ?        ?        0.000000       11.24330 
1 1 1 17  24 15 o 230.0835 9.132728 1563.583       122.9909 1512.503       140.5332 1730.724       254.2131 225.9986 10.63266 239.6031 18.22746 -13.60452      21.10199 
1 1 1 17  24 16 o 179.4855 9.037458 952.5106       94.82578 932.4634       109.9572 1010.685       187.3108 177.3025 10.62318 182.8348 17.68910 -5.532242      20.63387 
1 1 1 17  24 17 o 189.5653 8.304582 1061.141       92.10263 1134.736       115.3829 931.8956       152.9064 195.7237 10.08590 176.2157 14.93610 19.50806       18.02255 
1 1 1 17  24 18 o 50.26987 14.91000 76.47909       47.11263 138.1577       51.89937 -212.3776      112.3145 66.98155 13.67475 34.14228 16.71390 32.83927       21.59521 
1 1 1 17  24 19 f 23.00058 11.66569 -292.9257      80.78624 -401.5199      278.8054 -282.9725      84.40733 56.86458 27.48952 24.25400 12.25860 32.61058       30.09896 
1 1 1 17  24 20 o 143.0682 7.078806 604.2964       59.21107 556.0412       80.47492 661.2544       87.43111 136.7311 10.10703 149.1805 10.05185 -12.44934      14.25454 
1 1 1 17  24 21 o 104.9506 7.123298 326.0180       43.58484 267.5425       59.65348 392.9793       63.83534 94.36533 10.98393 114.8798 9.561330 -20.51450      14.56248 
1 1 1 17  24 22 o 162.9214 7.604962 784.7592       72.46455 720.0966       295.0960 788.9086       74.75344 145.0690 35.07454 163.3130 7.827556 -18.24403      35.93736 
1 1 1 17  24 23 o 90.62450 9.453185 245.9658       49.50498 406.5430       286.0839 241.0091       50.26324 109.4559 37.25494 89.64425 9.715560 19.81161       38.50094 
1 1 1 17  24 24 o 63.61560 30.07127 -248.1768      295.7069 -248.1768      295.7069 0.000000       0.000000 63.61560 30.07127 ?        ?        0.000000       30.07127 
1 1 1 17  24 25 o 124.8611 32.10366 546.1490       236.3869 660.2242       274.5479 219.2202       464.7816 136.0159 34.40014 100.4047 43.32222 35.61123       55.31893 
1 1 1 17  24 26 o 113.8709 33.38961 464.4010       237.3950 607.2719       271.3950 -1.045189      489.8519 129.1554 34.97522 90.70458 41.41077 38.45078       54.20441 
1 1 1 17  24 27 o 167.4793 10.29425 840.6093       100.6243 842.0897       102.7433 805.8262       498.0290 167.5517 10.50864 135.0487 48.89417 32.50301       50.01071 
1 1 1 17  24 28 o 57.82899 27.30914 -189.7660      242.7712 -189.7660      242.7712 0.000000       0.000000 57.82899 27.30914 ?        ?        0.000000       27.30914 
1 1 1 17  24 29 o 84.35168 32.36945 223.9516       224.6359 341.0497       254.5318 -188.5339      477.7178 97.16564 34.98414 80.36826 38.05894 16.79739       51.69500 
1 1 1 17  24 30 o 65.13396 14.43105 134.6650       53.67413 136.6119       54.06066 -0.2255053E-01 449.6504 65.60858 14.44184 84.12313 38.86823 -18.51455      41.46451 
1 1 1 17  24 31 o 58.09698 16.03183 108.1522       56.40499 111.2143       56.75902 -135.0128      505.7955 58.87851 16.01597 82.07924 38.95450 -23.20073      42.11846 
1 1 1 17  24 32 o 86.26994 14.04556 233.6233       68.62143 235.5342       69.31733 139.8874       485.4944 86.59395 14.13636 89.63116 41.03611 -3.037216      43.40275 
1 1 1 17  24 33 o 123.0636 11.49876 462.7928       82.03017 466.2756       83.57544 371.2155       428.5599 123.4501 11.68246 97.51396 41.83107 25.93616       43.43176 
1 1 1 17  24 34 o 54.11164 18.85242 88.73451       73.40211 103.7557       74.34227 -493.9185      463.0077 57.25076 18.98732 67.38403 33.17648 -10.13327      38.22561 
1 1 1 17  24 35 o 75.06258 18.36397 187.2399       80.16779 195.9190       81.25354 -131.0218      492.0356 76.83213 18.29582 78.09851 37.43650 -1.266380      41.66808 
1 1 1 17  24 36 o 118.9140 22.55458 486.6248       151.5425 438.9747       166.2995 719.9291       367.9770 109.9646 26.16705 120.7107 42.20043 -10.74608      49.65472 
1 1 1 17  24 37 o 140.8930 12.88858 615.5440       105.3205 600.8671       111.0790 746.1904       331.4075 138.6189 13.84857 126.6942 39.93328 11.92473       42.26641 
1 1 1 17  25 0  o 230.4111 9.965928 1567.475       134.3518 2034.500       492.3960 1529.909       139.6508 254.3084 33.85460 227.5436 10.49298 26.76488       35.44343 
1 1 1 17  25 1  o 231.0506 10.51475 1577.389       142.1075 1003.910       466.7539 1635.978       149.1903 173.0354 45.42571 235.2554 10.84226 -62.21999      46.70171 
1 1 1 17  25 2  o 249.4597 9.557631 1835.933       139.5716 2545.405       505.9012 1777.484       145.2071 286.5166 30.57896 245.3616 10.11259 41.15504       32.20772 
1 1 1 17  25 3  o 311.3538 9.131828 2857.211       166.5685 2383.101       480.0807 2922.096       177.6011 277.3938 29.98592 314.7827 9.631534 -37.38885      31.49479 
1 1 1 17  25 4  o 194.1181 10.34434 1114.165       117.3406 878.6208       411.3261 1135.032       122.4279 162.6634 42.61457 195.8768 10.69791 -33.21336      43.93685 
1 1 1 17  25 5  o 342.4388 14.90436 3484.841       298.6108 3026.399       413.5290 3984.348       431.6528 316.3974 22.43094 364.1898 20.28974 -47.79242      30.24600 
1 1 1 17  25 6  o 162.0710 10.40485 777.8138       98.37650 619.1343       364.8006 790.2585       102.1613 137.6942 41.64182 163.3184 10.72534 -25.62424      43.00086 
1 1 1 17  25 7  o 35.88876 16.38715 -49.60894      76.74367 0.000000       0.000000 -49.60894      76.74367 ?        ?        35.88876 16.38715 0.000000       16.38715 
1 1 1 17  25 8  o 322.3928 9.336226 3065.231       176.3395 0.000000       0.000000 3065.231       176.3395 ?        ?        322.3928 9.336226 0.000000       9.336226 
1 1 1 17  25 9  o 61.08415 19.46407 109.9688       78.54638 865.8746       359.8061 72.14294       80.48764 162.1763 38.42286 53.93987 19.63757 108.2365       43.15033 
1 1 1 17  25 10 o 300.1999 9.106936 2658.056       160.1515 2780.138       411.6476 2636.282       173.8478 302.2252 23.40671 298.8024 9.934336 3.422760       25.42765 
1 1 1 17  25 11 o 92.09924 16.05776 259.6761       83.58262 -209.4681      372.7672 284.5112       85.76640 77.80725 35.74681 96.59027 15.67728 -18.78302      39.03346 
1 1 1 17  25 12 o 217.2820 9.183278 1394.511       116.7594 1557.826       404.2265 1379.645       121.9577 221.3377 32.07352 216.0372 9.650011 5.300537       33.49379 
1 1 1 17  25 13 o 192.9269 36.33229 1219.082       396.0107 1219.082       396.0107 0.000000       0.000000 192.9269 36.33229 ?        ?        0.000000       36.33229 
1 1 1 17  25 14 o 270.7512 8.089773 2161.528       128.3128 1646.051       400.0246 2220.647       135.4711 227.7742 30.72861 274.3677 8.429050 -46.59346      31.86372 
1 1 1 17  25 15 o 99.85603 11.63138 299.1794       66.84333 -41.25645      342.2378 312.6811       68.15594 81.91135 36.20955 102.1221 11.58417 -20.21074      38.01742 
1 1 1 17  25 16 o 134.7935 8.099018 537.3702       63.73001 365.8461       342.0565 543.5385       64.86581 110.8698 40.46477 135.5536 8.197641 -24.68382      41.28679 
1 1 1 17  25 17 o 239.6194 9.860429 1699.522       138.2736 1793.015       331.0728 1679.768       152.1821 240.9267 23.73891 237.9664 10.93351 2.960266       26.13575 
1 1 1 17  25 18 o 219.0118 8.473623 1417.145       108.6343 1697.401       335.4095 1384.300       114.8237 233.4656 24.87922 216.3370 9.070159 17.12866       26.48100 
1 1 1 17  25 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  25 20 o 117.3237 37.65781 465.0677       293.6078 465.0677       293.6078 0.000000       0.000000 117.3237 37.65781 ?        ?        0.000000       37.65781 
1 1 1 17  25 21 o 69.26663 31.55780 -110.2073      282.5937 -110.2073      282.5937 0.000000       0.000000 69.26663 31.55780 ?        ?        0.000000       31.55780 
1 1 1 17  25 22 f 154.8376 32.66264 817.7284       287.2595 817.7284       287.2595 0.000000       0.000000 154.8376 32.66264 ?        ?        0.000000       32.66264 
1 1 1 17  25 23 f 60.31037 28.70311 -270.5471      278.4554 -270.5471      278.4554 0.000000       0.000000 60.31037 28.70311 ?        ?        0.000000       28.70311 
1 1 1 17  25 24 o 85.64024 34.84872 177.9169       274.7863 177.9169       274.7863 0.000000       0.000000 85.64024 34.84872 ?        ?        0.000000       34.84872 
1 1 1 17  25 25 o 159.5794 27.08474 851.4958       244.4317 876.6086       281.3018 774.0908       493.8669 158.7977 31.31819 134.2197 48.67602 24.57796       57.88078 
1 1 1 17  25 26 o 129.1910 31.49249 592.5841       236.4120 831.5094       272.0061 -145.3243      478.0231 154.0282 31.18225 83.51076 39.08419 70.51746       49.99907 
1 1 1 17  25 27 o 113.0368 32.39132 464.0297       225.7676 385.4907       252.4162 778.1821       504.8293 102.7835 34.99400 130.8695 48.90705 -28.08604      60.13717 
1 1 1 17  25 28 o 84.31140 33.79387 207.3004       254.1013 207.3004       254.1013 0.000000       0.000000 84.31140 33.79387 ?        ?        0.000000       33.79387 
1 1 1 17  25 29 o 58.55003 27.40369 -136.7537      235.0506 -219.0820      267.2845 144.1556       493.7217 58.93622 28.06952 92.14021 41.87503 -33.20398      50.41246 
1 1 1 17  25 30 o 71.69611 29.93552 111.2423       209.8263 104.0872       229.6764 147.3507       515.9573 72.86636 30.92024 92.30659 42.27710 -19.44023      52.37762 
1 1 1 17  25 31 f 91.79510 31.92355 311.1433       210.4235 431.3274       233.4192 -210.2439      486.1758 105.4513 33.54815 77.78443 37.26653 27.66683       50.14252 
1 1 1 17  25 32 o 97.03069 33.74880 367.3422       235.1777 604.5861       270.4997 -367.2867      475.9959 121.9415 35.61010 71.98371 35.05684 49.95782       49.97060 
1 1 1 17  25 33 o 56.39116 26.50797 -127.0871      224.0540 -98.71232      254.3822 -225.2547      473.1560 61.40665 28.66450 74.82923 36.08421 -13.42258      46.08387 
1 1 1 17  25 34 o 61.32717 28.10825 -41.37822      228.6150 125.4730       260.6320 -598.0897      476.0779 74.84549 32.36815 65.79441 32.62038 9.051079       45.95418 
1 1 1 17  25 35 o 137.0255 29.44996 704.7762       229.6168 587.3504       279.7330 947.3124       402.0224 116.2918 36.69259 137.5088 44.05815 -21.21703      57.33644 
1 1 1 17  25 36 o 102.0963 14.13681 329.0466       82.37843 340.3639       85.07249 158.8007       329.9554 103.7463 14.36704 79.76691 35.39270 23.97935       38.19758 
1 1 1 17  25 37 o 62.57454 19.90625 130.4893       82.18329 133.4505       85.65166 96.13128       291.7528 63.21864 20.34402 73.61141 32.93040 -10.39278      38.70776 
1 1 1 17  26 0  o 333.9080 9.336626 3287.866       182.6589 3434.649       510.4554 3266.311       195.6113 334.9884 26.19034 332.6656 10.03766 2.322754       28.04797 
1 1 1 17  26 1  o 201.2522 11.83637 1201.022       139.0874 0.000000       0.000000 1201.022       139.0874 ?        ?        201.2522 11.83637 0.000000       11.83637 
1 1 1 17  26 2  o 414.1338 9.484276 5054.703       230.3538 5336.131       551.1748 4995.144       253.5601 420.1140 22.45184 411.3164 10.51988 8.797546       24.79421 
1 1 1 17  26 3  o 113.4422 17.46782 392.3087       112.4917 183.5258       413.8652 408.9639       116.8925 103.8848 42.57917 115.7995 17.77923 -11.91470      46.14203 
1 1 1 17  26 4  o 139.1853 13.75776 579.6287       110.8357 801.0443       395.3454 560.7416       115.4662 154.7835 42.33736 136.6977 14.62992 18.08574       44.79382 
1 1 1 17  26 5  o 194.3862 10.12197 1117.585       114.9958 1125.600       397.5334 1116.853       120.1319 185.6211 37.80281 194.2448 10.58529 -8.623657      39.25686 
1 1 1 17  26 6  o 297.1438 8.528590 2602.363       148.4721 3684.583       457.7650 2475.132       156.9572 348.6353 22.50857 289.6519 9.251488 58.98331       24.33569 
1 1 1 17  26 7  o 203.1427 9.441489 1219.204       112.1767 1301.646       397.2056 1212.059       116.9369 201.1031 34.94555 202.4739 9.877443 -1.370773      36.31467 
1 1 1 17  26 8  o 151.4024 11.37913 681.3256       100.3004 1158.465       362.5567 641.7818       104.3739 189.8276 33.80563 146.7609 12.23766 43.06667       35.95248 
1 1 1 17  26 9  o 179.7588 9.917270 956.4606       104.1470 1326.370       378.8888 926.2274       108.3194 203.6041 32.84798 176.7870 10.49456 26.81714       34.48371 
1 1 1 17  26 10 o 164.7000 39.60005 910.0602       377.7825 910.0602       377.7825 0.000000       0.000000 164.7000 39.60005 ?        ?        0.000000       39.60005 
1 1 1 17  26 11 o 289.2931 9.268292 2471.376       157.0462 2332.508       408.6866 2495.435       170.1070 274.7406 25.66078 290.5337 9.998219 -15.79312      27.53979 
1 1 1 17  26 12 o 274.2501 9.089051 2221.099       145.9874 2486.096       432.2021 2186.972       155.1034 283.1243 26.33090 271.9914 9.739062 11.13293       28.07429 
1 1 1 17  26 13 o 105.1795 14.23372 334.9886       85.54977 207.7798       356.7849 342.7486       88.12049 99.28565 39.95799 106.3480 14.50628 -7.062378      42.50969 
1 1 1 17  26 14 o 267.3771 7.820049 2108.031       122.4947 1817.690       378.0255 2142.094       129.4810 240.9196 27.23137 269.4560 8.203019 -28.53642      28.44006 
1 1 1 17  26 15 o 169.9146 8.375358 853.3644       83.20401 199.3695       337.2626 895.7480       85.85780 96.71516 38.87524 174.0832 8.434645 -77.36803      39.77974 
1 1 1 17  26 16 o 73.86536 23.26030 166.5636       112.4653 -222.8742      330.2437 217.6543       119.6153 70.95927 32.96730 83.06792 23.50299 -12.10865      40.48745 
1 1 1 17  26 17 o 342.7711 19.83705 3576.709       397.0749 3576.709       397.0749 0.000000       0.000000 342.7711 19.83705 ?        ?        0.000000       19.83705 
1 1 1 17  26 18 o 128.1137 37.73384 563.1277       302.6142 563.1277       302.6142 0.000000       0.000000 128.1137 37.73384 ?        ?        0.000000       37.73384 
1 1 1 17  26 19 o 94.38889 36.49833 237.8871       287.1472 237.8871       287.1472 0.000000       0.000000 94.38889 36.49833 ?        ?        0.000000       36.49833 
1 1 1 17  26 20 o 147.0984 33.33998 738.5919       280.9550 738.5919       280.9550 0.000000       0.000000 147.0984 33.33998 ?        ?        0.000000       33.33998 
1 1 1 17  26 21 o 236.4362 21.74655 1752.029       298.1713 1752.029       298.1713 0.000000       0.000000 236.4362 21.74655 ?        ?        0.000000       21.74655 
1 1 1 17  26 22 o 66.17185 30.46968 -123.0258      272.9623 -123.0258      272.9623 0.000000       0.000000 66.17185 30.46968 ?        ?        0.000000       30.46968 
1 1 1 17  26 23 o 58.80178 28.18311 -298.0083      278.6659 -298.0083      278.6659 0.000000       0.000000 58.80178 28.18311 ?        ?        0.000000       28.18311 
1 1 1 17  26 24 o 54.76261 26.70531 -405.7757      278.7910 -405.7757      278.7910 0.000000       0.000000 54.76261 26.70531 ?        ?        0.000000       26.70531 
1 1 1 17  26 25 f 108.3878 34.55010 429.3227       247.4712 488.1699       293.5483 284.7532       460.1032 113.6453 37.73119 101.0393 43.34326 12.60596       57.46547 
1 1 1 17  26 26 o 132.0603 31.95564 628.5991       244.7928 753.4094       283.6930 264.7994       484.3447 142.9786 34.27711 99.82309 43.63466 43.15553       55.48787 
1 1 1 17  26 27 o 91.37389 33.64238 289.6254       237.2475 323.2696       275.8274 193.9563       465.1234 95.47921 36.05084 94.24488 41.90723 1.234329       55.28001 
1 1 1 17  26 28 o 50.74549 24.65217 -305.4307      231.4276 -305.4307      231.4276 0.000000       0.000000 50.74549 24.65217 ?        ?        0.000000       24.65217 
1 1 1 17  26 29 o 75.69116 30.49122 157.4148       207.9671 55.74247       229.6511 620.8170       490.2822 69.17433 30.14524 114.8911 46.62389 -45.71675      55.52047 
1 1 1 17  26 30 o 49.39533 24.03352 -296.5983      222.2747 -245.9392      252.0119 -474.0563      471.6725 55.37185 26.60766 69.79388 34.18442 -14.42204      43.31907 
1 1 1 17  26 31 o 132.3775 29.69574 645.8400       224.8571 666.1613       255.1994 575.3016       475.4620 130.9736 33.18826 109.0331 45.25579 21.94058       56.12083 
1 1 1 17  26 32 o 76.07433 31.74125 158.8306       235.6586 212.8977       270.1466 -13.29567      482.0109 82.15581 34.10744 81.73479 38.56252 0.4210129      51.48189 
1 1 1 17  26 33 o 96.09531 33.03840 366.8342       225.1160 254.2949       259.1472 712.8993       454.4367 84.71787 34.06865 115.7556 45.57979 -31.03772      56.90509 
1 1 1 17  26 34 o 56.81978 26.83647 -135.0987      234.5983 -134.3464      288.0005 -136.5822      404.4402 62.65193 29.63400 71.97514 34.34872 -9.323215      45.36528 
1 1 1 17  26 35 o 74.38509 31.05020 159.8732       225.6567 537.3038       293.7171 -383.8272      352.5254 109.1122 37.72857 60.11618 29.46690 48.99606       47.87215 
1 1 1 17  26 36 o 56.85025 26.64641 -99.35397      223.5886 235.4712       296.4902 -540.8339      340.4527 82.72395 35.11821 54.83377 27.25410 27.89018       44.45306 
1 1 1 17  27 0  o 232.7600 10.24263 1602.038       139.4779 1686.823       505.0985 1595.039       145.1206 226.7948 39.40369 232.1644 10.68684 -5.369583      40.82719 
1 1 1 17  27 1  o 281.2224 9.794962 2335.708       161.3019 2119.625       499.1922 2360.899       170.4453 258.1481 33.78201 282.6307 10.30012 -24.48254      35.31737 
1 1 1 17  27 2  o 249.9128 9.840520 1845.360       143.9485 2114.423       445.0993 1813.931       152.1237 260.0321 29.71946 247.6432 10.49799 12.38887       31.51910 
1 1 1 17  27 3  o 303.3595 9.015623 2714.806       160.2218 3147.983       456.3090 2653.889       171.1171 320.8224 24.43562 299.7824 9.745728 21.03992       26.30739 
1 1 1 17  27 4  o 49.70951 20.92623 12.55517       103.8309 -151.1658      378.1818 25.90246       107.9804 80.97765 36.74168 52.21284 21.60986 28.76480       42.62555 
1 1 1 17  27 5  o 78.75127 21.01673 193.6811       98.87174 -67.55952      392.6120 211.3705       102.1644 86.58729 38.50223 82.16251 21.09502 4.424782       43.90241 
1 1 1 17  27 6  o 99.41637 16.32508 302.3201       91.88306 678.6418       368.1860 277.3269       94.88520 141.9264 41.57311 94.80190 17.71724 47.12453       45.19098 
1 1 1 17  27 7  o 76.17727 19.88647 181.2123       89.78294 58.31907       364.2154 189.1634       92.64186 90.37834 38.66211 77.78661 20.14793 12.59174       43.59699 
1 1 1 17  27 8  o 62.76347 21.44514 110.9586       94.81017 477.1031       384.0715 87.19875       97.83804 122.8332 43.10086 59.07033 21.62827 63.76289       48.22309 
1 1 1 17  27 9  o 279.6349 8.700152 2307.796       142.5083 2575.046       399.1442 2268.751       152.5635 289.6320 23.70531 277.1079 9.401141 12.52411       25.50143 
1 1 1 17  27 10 o 100.4669 16.84960 309.8916       95.76853 315.0146       369.1319 309.5219       99.16405 108.3099 41.51162 100.2411 17.50437 8.068825       45.05127 
1 1 1 17  27 11 o 275.0871 9.382122 2236.509       151.1422 2080.129       394.2378 2263.454       163.6461 258.4205 26.38214 276.5683 10.10610 -18.14786      28.25156 
1 1 1 17  27 12 o 33.23816 15.75151 -96.08088      82.11125 -413.7278      343.1498 -76.78832      84.56805 65.33783 31.30476 35.50793 16.55923 29.82990       35.41464 
1 1 1 17  27 13 f 38.62666 17.40390 -39.26314      83.12141 61.28826       363.1490 -44.82238      85.38828 89.68530 38.49030 38.68122 17.51393 51.00407       42.28759 
1 1 1 17  27 14 o 105.9547 12.44107 337.8602       75.83759 143.6332       355.6913 347.1101       77.62244 94.00170 39.09050 107.3877 12.56196 -13.38602      41.05935 
1 1 1 17  27 15 o 171.7858 13.86999 885.5867       138.5506 467.2773       369.0911 954.2003       149.4823 119.6203 42.22876 178.1933 14.42695 -58.57301      44.62516 
1 1 1 17  27 16 o 175.8655 37.12206 1052.711       370.8374 1052.711       370.8374 0.000000       0.000000 175.8655 37.12206 ?        ?        0.000000       37.12206 
1 1 1 17  27 17 o 121.4611 40.26146 506.3327       334.2740 506.3327       334.2740 0.000000       0.000000 121.4611 40.26146 ?        ?        0.000000       40.26146 
1 1 1 17  27 18 f 56.85913 27.47857 -377.8424      278.0610 -377.8424      278.0610 0.000000       0.000000 56.85913 27.47857 ?        ?        0.000000       27.47857 
1 1 1 17  27 19 o 113.7698 36.71171 450.7245       278.7886 450.7245       278.7886 0.000000       0.000000 113.7698 36.71171 ?        ?        0.000000       36.71171 
1 1 1 17  27 20 o 92.62158 35.31057 255.0189       266.1587 255.0189       266.1587 0.000000       0.000000 92.62158 35.31057 ?        ?        0.000000       35.31057 
1 1 1 17  27 21 o 103.9292 36.16470 375.6379       270.0688 375.6379       270.0688 0.000000       0.000000 103.9292 36.16470 ?        ?        0.000000       36.16470 
1 1 1 17  27 22 o 82.82896 34.46442 145.6844       276.7169 145.6844       276.7169 0.000000       0.000000 82.82896 34.46442 ?        ?        0.000000       34.46442 
1 1 1 17  27 23 o 98.17604 36.68291 328.9764       283.9825 328.9764       283.9825 0.000000       0.000000 98.17604 36.68291 ?        ?        0.000000       36.68291 
1 1 1 17  27 24 f 158.7261 33.87964 911.1281       305.7773 911.1281       305.7773 0.000000       0.000000 158.7261 33.87964 ?        ?        0.000000       33.87964 
1 1 1 17  27 25 f 101.1381 35.16175 374.4552       255.2677 374.4552       255.2677 0.000000       0.000000 101.1381 35.16175 ?        ?        0.000000       35.16175 
1 1 1 17  27 26 o 58.77240 26.97181 -77.99509      211.4160 -48.24810      242.8673 -171.0531      429.5605 64.56930 29.35456 76.95601 36.33703 -12.38671      46.71263 
1 1 1 17  27 27 o 115.7777 31.87080 499.5341       223.2206 459.0770       257.3099 622.5964       448.7672 108.6464 35.28634 116.8282 45.50219 -8.181778      57.58103 
1 1 1 17  27 28 o 59.10502 27.17170 -73.20998      215.8477 34.39465       246.9630 -421.3455      444.2122 69.36172 30.70584 69.42461 33.82296 -0.6288910E-01 45.68196 
1 1 1 17  27 29 o 88.30048 33.96938 276.8450       247.8175 276.8450       247.8175 0.000000       0.000000 88.30048 33.96938 ?        ?        0.000000       33.96938 
1 1 1 17  27 30 o 81.83251 32.01316 224.7274       222.9302 404.1638       249.6918 -480.3264      494.9487 100.5239 34.78493 70.49653 34.62811 30.02734       49.08256 
1 1 1 17  27 31 o 47.87621 23.40345 -308.0340      217.8670 -374.3318      241.2099 -14.37618      507.6524 48.85860 24.03406 82.82083 39.22417 -33.96223      46.00186 
1 1 1 17  27 32 o 136.5968 29.57702 695.9671       230.0679 598.2296       262.8715 1015.900       475.6003 120.2848 35.09822 135.9559 47.94131 -15.67112      59.41595 
1 1 1 17  27 33 o 67.23989 29.84118 51.04979       234.6951 137.5116       284.9542 -131.3009      413.8250 76.53287 33.46116 72.73824 34.72174 3.794632       48.22083 
1 1 1 17  27 34 f 60.17121 27.86464 -60.09465      233.0379 -106.3745      310.6714 -0.5517920     352.3871 65.58579 30.94817 73.16858 34.01447 -7.582787      45.98666 
1 1 1 17  27 35 o 63.00473 28.26639 20.23097       216.6408 -50.03591      291.6670 106.7061       323.5621 66.15742 30.81924 76.16440 34.32554 -10.00698      46.13099 
1 1 1 17  28 0  o 130.4593 15.48132 514.3336       116.1430 788.3549       476.6441 497.0368       119.7525 150.5404 47.94531 128.0062 16.32233 22.53416       50.64752 
1 1 1 17  28 1  o 220.5336 11.55202 1443.617       148.8902 684.5817       453.4456 1535.343       157.6300 141.7832 46.88830 227.3764 11.86171 -85.59317      48.36541 
1 1 1 17  28 2  o 93.37838 22.16061 274.7928       119.5279 193.2510       408.7983 282.4155       124.9901 102.6779 42.22644 94.57038 22.80299 8.107529       47.99009 
1 1 1 17  28 3  o 126.1346 15.91869 482.1443       115.1409 -179.0058      433.2570 532.3876       119.4358 85.30264 38.94479 132.7045 15.64655 -47.40191      41.97036 
1 1 1 17  28 4  o 65.32462 23.29960 114.1519       112.6152 99.88926       398.2766 115.3913       117.4063 95.88664 40.70406 66.08945 23.76444 29.79719       47.13352 
1 1 1 17  28 5  o 95.47049 20.65044 285.6131       112.2561 163.2055       417.5712 295.1487       116.5465 101.2985 42.25786 96.98321 21.09248 4.315323       47.22943 
1 1 1 17  28 6  o 106.0450 16.84798 344.4979       101.2818 871.9801       416.5539 311.3549       104.4152 158.6295 43.48591 100.3020 18.42912 58.32742       47.22983 
1 1 1 17  28 7  o 184.5401 10.08094 1009.300       108.6901 996.8610       353.7295 1010.597       114.2155 173.4734 35.95088 184.5569 10.59678 -11.08353      37.48009 
1 1 1 17  28 8  o 195.8316 10.08445 1136.387       115.4305 1488.525       370.9956 1098.644       121.4591 216.2154 30.06972 192.3942 10.80780 23.82126       31.95303 
1 1 1 17  28 9  o 252.1518 8.869617 1878.307       130.9606 2801.823       400.3698 1767.657       138.5841 302.2257 22.75521 244.4273 9.686657 57.79839       24.73117 
1 1 1 17  28 10 o 30.10401 14.86901 -209.1915      95.56638 -232.4850      338.7415 -207.1772      99.61279 71.71654 33.34282 31.23676 15.38115 40.47977       36.71952 
1 1 1 17  28 11 o 96.98447 17.76932 291.2357       97.34682 -102.8732      364.1592 321.5659       101.0233 80.66112 36.37803 102.1007 17.50051 -21.43957      40.36866 
1 1 1 17  28 12 o 195.8757 10.50123 1138.954       120.1935 1036.210       379.0509 1150.440       126.7335 174.7362 38.06755 196.7411 11.02777 -22.00493      39.63269 
1 1 1 17  28 13 o 145.7138 42.81675 750.2894       390.0190 750.2894       390.0190 0.000000       0.000000 145.7138 42.81675 ?        ?        0.000000       42.81675 
1 1 1 17  28 14 o 106.2315 41.94777 300.6888       385.8701 300.6888       385.8701 0.000000       0.000000 106.2315 41.94777 ?        ?        0.000000       41.94777 
1 1 1 17  28 15 o 78.94113 35.04506 -30.68635      323.9380 -30.68635      323.9380 0.000000       0.000000 78.94113 35.04506 ?        ?        0.000000       35.04506 
1 1 1 17  28 16 o 88.12439 36.48736 144.9429       308.0080 144.9429       308.0080 0.000000       0.000000 88.12439 36.48736 ?        ?        0.000000       36.48736 
1 1 1 17  28 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  28 18 o 193.4798 27.20524 1222.525       300.1867 1222.525       300.1867 0.000000       0.000000 193.4798 27.20524 ?        ?        0.000000       27.20524 
1 1 1 17  28 19 o 226.9609 23.46624 1645.594       307.8528 1645.594       307.8528 0.000000       0.000000 226.9609 23.46624 ?        ?        0.000000       23.46624 
1 1 1 17  28 20 o 96.16656 35.53193 304.5074       265.0436 304.5074       265.0436 0.000000       0.000000 96.16656 35.53193 ?        ?        0.000000       35.53193 
1 1 1 17  28 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  28 22 o 58.55961 28.18841 -315.2259      285.7077 -315.2259      285.7077 0.000000       0.000000 58.55961 28.18841 ?        ?        0.000000       28.18841 
1 1 1 17  28 23 o 112.0568 37.23928 476.8162       285.9279 476.8162       285.9279 0.000000       0.000000 112.0568 37.23928 ?        ?        0.000000       37.23928 
1 1 1 17  28 24 o 109.5224 37.77139 463.6707       294.3106 463.6707       294.3106 0.000000       0.000000 109.5224 37.77139 ?        ?        0.000000       37.77139 
1 1 1 17  28 25 o 99.48772 37.40561 371.1665       296.2480 371.1665       296.2480 0.000000       0.000000 99.48772 37.40561 ?        ?        0.000000       37.40561 
1 1 1 17  28 26 o 143.2731 29.53466 734.8782       239.9169 690.6517       277.5882 865.4591       476.9789 133.6055 35.01069 132.7771 47.87959 0.8284149      59.31444 
1 1 1 17  28 27 o 80.79074 31.59851 206.6458       217.1521 244.9046       248.2381 81.94263       448.1685 85.74837 33.71088 86.03741 39.40438 -0.2890396     51.85681 
1 1 1 17  28 28 o 64.65243 28.84043 10.14666       222.1058 -17.19390      256.4717 92.15285       444.1801 66.64167 30.24503 85.38683 39.15201 -18.74516      49.47364 
1 1 1 17  28 29 o 82.13376 33.14459 219.3918       246.2092 219.3918       246.2092 0.000000       0.000000 82.13376 33.14459 ?        ?        0.000000       33.14459 
1 1 1 17  28 30 o 76.35707 30.80474 178.8697       212.6077 75.56580       239.3222 565.6430       463.0766 69.93840 30.61944 106.7677 44.51717 -36.82929      54.03081 
1 1 1 17  28 31 o 85.31674 33.05871 267.8993       235.9399 222.9362       269.1655 417.0427       490.2226 82.33044 34.10069 97.99905 43.32824 -15.66861      55.13795 
1 1 1 17  28 32 o 88.05000 32.98462 301.5013       229.9124 441.9376       265.5722 -118.6392      459.3463 101.6201 35.82530 75.76977 36.28054 25.85033       50.98755 
1 1 1 17  28 33 o 52.10442 25.08389 -214.0494      226.3874 -117.6503      273.9732 -421.5487      401.9574 61.65120 29.08281 63.22621 31.08660 -1.575012      42.56978 
1 1 1 17  28 34 o 55.72158 26.42286 -143.1819      231.7540 -212.2941      309.1028 -54.45142      350.2372 61.16308 29.41042 70.46947 33.13094 -9.306393      44.30161 
1 1 1 17  29 0  o 252.9901 10.23523 1895.359       151.5493 1615.278       479.0531 1926.506       159.7540 219.9971 38.53268 254.9464 10.70829 -34.94930      39.99294 
1 1 1 17  29 1  o 174.6129 13.39372 911.7994       136.1130 1608.995       430.7074 834.4452       143.4653 222.4082 34.10673 166.6248 14.83602 55.78339       37.19377 
1 1 1 17  29 2  o 254.4713 10.53827 1918.762       156.9343 1656.818       400.3369 1966.323       170.5876 227.7475 30.75791 257.4051 11.32778 -29.65752      32.77755 
1 1 1 17  29 3  o 142.5183 15.21960 613.0433       125.2444 651.9200       414.9588 609.1468       131.3710 137.7195 44.81659 141.8289 16.07696 -4.109436      47.61297 
1 1 1 17  29 4  o 107.2458 20.85546 359.8228       126.4502 82.64130       397.0151 391.1156       133.3973 94.19070 40.33086 111.8477 21.10989 -17.65697      45.52148 
1 1 1 17  29 5  o 99.98956 20.60095 313.4369       116.7857 -208.5069      404.1916 360.9801       121.9887 80.41324 37.04545 107.6323 20.06324 -27.21906      42.12955 
1 1 1 17  29 6  o 154.9407 12.39291 717.1620       111.6750 295.9702       386.5773 755.5119       116.6483 107.2701 42.09939 159.0030 12.61226 -51.73283      43.94801 
1 1 1 17  29 7  o 233.8459 9.475006 1618.067       129.6759 1855.536       395.9316 1589.533       137.2459 242.2596 28.40578 231.6231 10.12787 10.63647       30.15729 
1 1 1 17  29 8  o 115.0258 16.30590 403.9865       106.9199 190.8949       351.7765 425.6759       112.2295 96.90075 39.43008 118.0240 16.67808 -21.12325      42.81226 
1 1 1 17  29 9  o 48.35915 20.60289 5.354490       102.6785 52.27637       358.4931 1.161279       107.1683 88.24103 38.06055 48.86501 20.93924 39.37602       43.44027 
1 1 1 17  29 10 o 171.5601 12.12466 878.7778       121.2075 1318.989       375.9377 827.7089       128.0453 200.4412 33.13686 166.1860 13.24725 34.25516       35.68671 
1 1 1 17  29 11 o 149.2939 13.23533 669.3619       114.6855 1145.799       382.8433 622.3926       120.2057 183.9075 36.78119 143.5859 14.47180 40.32166       39.52580 
1 1 1 17  29 12 f 157.5245 12.27951 742.8200       112.5478 140.9966       385.6938 798.8355       117.6691 95.18870 40.21559 163.3638 12.37364 -68.17510      42.07613 
1 1 1 17  29 13 o 98.95292 39.14230 253.9858       336.5209 253.9858       336.5209 0.000000       0.000000 98.95292 39.14230 ?        ?        0.000000       39.14230 
1 1 1 17  29 14 o 168.3248 35.20395 971.9409       336.3360 971.9409       336.3360 0.000000       0.000000 168.3248 35.20395 ?        ?        0.000000       35.20395 
1 1 1 17  29 15 o 196.9096 29.10271 1274.108       325.9742 1274.108       325.9742 0.000000       0.000000 196.9096 29.10271 ?        ?        0.000000       29.10271 
1 1 1 17  29 16 o 195.2965 29.29471 1264.572       325.1945 1264.572       325.1945 0.000000       0.000000 195.2965 29.29471 ?        ?        0.000000       29.29471 
1 1 1 17  29 17 o 117.9076 38.74935 508.5573       309.8573 508.5573       309.8573 0.000000       0.000000 117.9076 38.74935 ?        ?        0.000000       38.74935 
1 1 1 17  29 18 f 123.6652 38.91746 574.1382       314.8788 574.1382       314.8788 0.000000       0.000000 123.6652 38.91746 ?        ?        0.000000       38.91746 
1 1 1 17  29 19 o 100.6756 37.69718 346.6032       300.2303 346.6032       300.2303 0.000000       0.000000 100.6756 37.69718 ?        ?        0.000000       37.69718 
1 1 1 17  29 20 o 113.6508 37.36878 485.0245       288.1575 485.0245       288.1575 0.000000       0.000000 113.6508 37.36878 ?        ?        0.000000       37.36878 
1 1 1 17  29 21 o 49.72691 24.74939 -601.4453      284.6160 -601.4453      284.6160 0.000000       0.000000 49.72691 24.74939 ?        ?        0.000000       24.74939 
1 1 1 17  29 22 o 94.68643 36.90541 300.5794       295.3857 300.5794       295.3857 0.000000       0.000000 94.68643 36.90541 ?        ?        0.000000       36.90541 
1 1 1 17  29 23 f 82.31610 34.45097 165.5522       278.8833 165.5522       278.8833 0.000000       0.000000 82.31610 34.45097 ?        ?        0.000000       34.45097 
1 1 1 17  29 24 o 83.23708 34.33942 193.2763       271.4757 193.2763       271.4757 0.000000       0.000000 83.23708 34.33942 ?        ?        0.000000       34.33942 
1 1 1 17  29 25 o 101.4014 36.18105 400.0054       271.5834 400.0054       271.5834 0.000000       0.000000 101.4014 36.18105 ?        ?        0.000000       36.18105 
1 1 1 17  29 26 o 161.2418 25.37287 891.4159       232.0182 1070.867       271.7923 409.3318       445.4777 174.9606 27.38535 101.4551 43.05742 73.50552       51.02841 
1 1 1 17  29 27 o 73.55228 31.05799 124.0193       229.8380 130.6494       270.4924 106.8009       435.9080 76.99421 33.13371 85.22412 38.96771 -8.229912      51.15003 
1 1 1 17  29 28 o 63.66943 28.30980 18.97169       212.2268 55.39460       243.1324 -97.59755      434.9581 69.23518 30.56667 76.68601 36.31535 -7.450836      47.46711 
1 1 1 17  29 29 o 154.6115 27.08564 855.0845       236.6555 951.5259       275.7549 585.4921       461.0472 159.3948 30.61084 107.6247 44.60840 51.77016       54.10113 
1 1 1 17  29 30 o 62.02648 28.91084 -84.23703      257.2297 -84.23703      257.2297 0.000000       0.000000 62.02648 28.91084 ?        ?        0.000000       28.91084 
1 1 1 17  29 31 o 55.21662 26.47561 -202.3199      246.4816 -36.30707      285.5773 -687.1865      488.0497 66.70670 30.87545 64.21395 32.03137 2.492752       44.48935 
1 1 1 17  29 32 o 64.93780 29.02187 34.08107       226.0170 -78.60669      273.9063 274.5273       400.1037 63.34840 29.62761 87.94721 39.00064 -24.59882      48.97801 
1 1 1 17  29 33 o 50.77602 24.76947 -293.0622      240.4046 -98.57968      315.5883 -561.9512      371.0797 65.99494 31.15667 57.14663 28.41200 8.848309       42.16610 
1 1 1 17  30 0  o 62.26759 24.26387 80.11201       127.6576 -124.5460      410.8139 101.9863       134.3065 84.46284 38.31153 66.07876 25.10894 18.38408       45.80646 
1 1 1 17  30 1  o 258.5061 10.77641 1982.465       163.0204 1656.818       416.8705 2041.256       177.1255 226.0875 32.36121 262.0936 11.55161 -36.00606      34.36114 
1 1 1 17  30 2  o 56.26458 23.37865 31.49701       127.0775 -412.2226      381.8511 86.76004       134.7588 69.87278 33.35376 64.15681 24.94952 5.715973       41.65276 
1 1 1 17  30 3  o 126.7717 17.71252 492.6062       128.1003 744.9286       404.4992 464.4795       135.0515 145.3526 43.82556 122.5012 19.44692 22.85140       47.94645 
1 1 1 17  30 4  o 164.1529 13.95923 809.2123       133.1145 -193.5753      435.4404 912.5864       139.8074 83.85432 38.56531 174.4408 13.77747 -90.58652      40.95243 
1 1 1 17  30 5  o 145.2800 14.67767 636.8898       123.3454 476.4452       396.6372 654.0671       129.7802 121.0648 43.66070 147.0777 15.26751 -26.01290      46.25315 
1 1 1 17  30 6  o 141.2589 14.56574 602.4479       118.9418 1035.471       417.4214 564.1825       124.0859 171.6612 41.84730 136.3004 15.81627 35.36081       44.73646 
1 1 1 17  30 7  o 186.1252 12.02907 1033.844       130.6037 1103.591       400.7289 1025.555       138.1467 178.7826 39.29263 185.1622 12.80025 -6.379623      41.32502 
1 1 1 17  30 8  o 207.5528 11.17350 1282.147       135.5078 2150.229       419.8251 1181.191       143.1708 259.8950 27.98403 198.8654 12.33640 61.02963       30.58256 
1 1 1 17  30 9  o 66.58232 22.86696 127.9459       107.8328 126.4098       356.8114 128.1003       113.1223 91.74782 38.71701 67.11709 23.40253 24.63073       45.24030 
1 1 1 17  30 10 o 84.16737 22.43358 226.4018       112.7414 -271.1495      358.4235 281.0352       118.7700 71.44810 33.56743 93.78565 21.97916 -22.33755      40.12300 
1 1 1 17  30 11 o 218.9077 10.70090 1426.437       136.9664 729.1230       366.5805 1539.577       147.6604 141.9543 41.45488 227.3128 11.10982 -85.35854      42.91777 
1 1 1 17  30 12 o 45.28988 19.70284 -9.062551      97.74928 -65.84902      350.6423 -4.277597      101.7843 79.03853 35.66679 46.73608 20.21970 32.30245       40.99946 
1 1 1 17  30 13 o 103.6917 39.93205 333.1303       342.7039 333.1303       342.7039 0.000000       0.000000 103.6917 39.93205 ?        ?        0.000000       39.93205 
1 1 1 17  30 14 o 73.67245 33.76396 -112.2134      329.7874 -112.2134      329.7874 0.000000       0.000000 73.67245 33.76396 ?        ?        0.000000       33.76396 
1 1 1 17  30 15 o 127.4775 39.85392 609.7095       330.7588 609.7095       330.7588 0.000000       0.000000 127.4775 39.85392 ?        ?        0.000000       39.85392 
1 1 1 17  30 16 o 115.4993 39.31278 495.5396       318.5617 495.5396       318.5617 0.000000       0.000000 115.4993 39.31278 ?        ?        0.000000       39.31278 
1 1 1 17  30 17 o 86.40376 36.39711 158.3271       314.4330 158.3271       314.4330 0.000000       0.000000 86.40376 36.39711 ?        ?        0.000000       36.39711 
1 1 1 17  30 18 o 138.8556 37.20685 726.7756       309.1039 726.7756       309.1039 0.000000       0.000000 138.8556 37.20685 ?        ?        0.000000       37.20685 
1 1 1 17  30 19 o 164.4856 33.26130 970.9823       309.8207 970.9823       309.8207 0.000000       0.000000 164.4856 33.26130 ?        ?        0.000000       33.26130 
1 1 1 17  30 20 o 167.0056 31.92879 992.0486       301.3315 992.0486       301.3315 0.000000       0.000000 167.0056 31.92879 ?        ?        0.000000       31.92879 
1 1 1 17  30 21 o 81.33520 34.58023 139.8464       288.2125 139.8464       288.2125 0.000000       0.000000 81.33520 34.58023 ?        ?        0.000000       34.58023 
1 1 1 17  30 22 o 86.32535 35.10700 223.6035       278.6819 223.6035       278.6819 0.000000       0.000000 86.32535 35.10700 ?        ?        0.000000       35.10700 
1 1 1 17  30 23 o 87.62404 34.86506 252.1682       268.4799 252.1682       268.4799 0.000000       0.000000 87.62404 34.86506 ?        ?        0.000000       34.86506 
1 1 1 17  30 24 o 80.62095 33.06429 184.6287       249.7583 184.6287       249.7583 0.000000       0.000000 80.62095 33.06429 ?        ?        0.000000       33.06429 
1 1 1 17  30 25 o 68.83443 30.15503 54.33414       232.4413 54.33414       232.4413 0.000000       0.000000 68.83443 30.15503 ?        ?        0.000000       30.15503 
1 1 1 17  30 26 o 98.43373 34.79173 384.5611       250.5957 384.5611       250.5957 0.000000       0.000000 98.43373 34.79173 ?        ?        0.000000       34.79173 
1 1 1 17  30 27 o 53.32170 25.27515 -156.9448      211.6650 -8.436977      241.5159 -648.7783      439.5216 64.94027 29.42397 62.37900 30.99798 2.561272       42.73926 
1 1 1 17  30 28 o 60.38517 28.05506 -79.40083      239.1748 39.80021       279.2630 -407.4944      463.3106 70.75773 31.88906 68.96455 33.79935 1.793175       46.46835 
1 1 1 17  30 29 o 87.99693 33.26497 297.7775       235.0042 473.6151       268.5577 -276.9644      485.5322 105.2430 36.08900 73.28204 35.62494 31.96095       50.71048 
1 1 1 17  30 30 o 130.4316 36.08806 724.4178       285.3885 724.4178       285.3885 0.000000       0.000000 130.4316 36.08806 ?        ?        0.000000       36.08806 
1 1 1 17  30 31 o 89.00310 35.47632 320.0615       278.4574 320.0615       278.4574 0.000000       0.000000 89.00310 35.47632 ?        ?        0.000000       35.47632 
1 1 1 17  30 32 o 55.69681 26.47397 -151.1302      235.3864 -120.8722      296.1747 -203.0138      387.8311 63.30502 29.97515 67.75851 32.67318 -4.453491      44.34012 
1 1 1 17  31 0  o 151.9918 16.78779 703.9291       147.1550 0.000000       0.000000 703.9291       147.1550 ?        ?        151.9918 16.78779 0.000000       16.78779 
1 1 1 17  31 1  o 223.6955 11.34828 1489.741       148.3941 2245.882       410.9502 1376.361       159.1312 266.4800 26.65228 214.5822 12.70160 51.89789       29.52414 
1 1 1 17  31 2  o 150.2321 15.71124 684.9024       136.3835 832.1502       408.6016 666.4407       144.6809 151.7539 43.60447 147.7501 17.00663 4.003754       46.80358 
1 1 1 17  31 3  o 123.3140 18.70461 470.8250       131.0334 661.8226       417.7773 449.9861       137.9966 135.7891 45.01015 119.9417 20.34389 15.84740       49.39420 
1 1 1 17  31 4  o 70.96187 24.74556 144.8287       126.4803 349.1071       420.4198 124.5003       132.6243 110.8744 43.78410 68.60021 25.17096 42.27419       50.50371 
1 1 1 17  31 5  o 95.13576 22.36936 289.5781       122.6968 -197.9547      424.4453 334.0335       128.1688 81.52651 37.70189 102.4010 21.99793 -20.87444      43.65022 
1 1 1 17  31 6  o 241.7111 10.03027 1734.586       141.8780 1806.005       423.7666 1725.569       150.5675 234.4990 31.61796 240.8816 10.68462 -6.382553      33.37449 
1 1 1 17  31 7  o 186.8431 12.00458 1044.135       130.8490 799.2868       415.1471 1071.142       137.8767 146.9150 44.42080 189.0984 12.50249 -42.18341      46.14671 
1 1 1 17  31 8  o 280.3251 9.744720 2332.539       159.9635 1786.653       384.7406 2446.625       175.8866 234.7320 28.53299 286.8394 10.47305 -52.10732      30.39435 
1 1 1 17  31 9  o 165.7547 11.99803 823.9299       115.8449 761.5593       364.2846 830.9470       122.1879 144.0376 41.10351 166.2666 12.62499 -22.22906      42.99871 
1 1 1 17  31 10 o 39.29455 18.51547 -110.9401      110.4775 -564.5859      347.5660 -59.95443      116.5206 59.63096 29.23521 44.59374 20.29638 15.03722       35.58989 
1 1 1 17  31 11 o 38.76391 18.19222 -98.39281      104.7854 43.13464       341.4122 -113.1109      110.0993 83.04882 36.45931 39.00362 18.41051 44.04520       40.84394 
1 1 1 17  31 12 o 199.0925 10.52088 1184.145       122.4089 1193.522       362.5590 1182.939       130.0450 184.4538 34.79051 198.7471 11.20222 -14.29326      36.54955 
1 1 1 17  31 13 o 108.2055 40.22759 412.4930       340.6793 412.4930       340.6793 0.000000       0.000000 108.2055 40.22759 ?        ?        0.000000       40.22759 
1 1 1 17  31 14 o 79.20213 35.38086 7.680836       335.5114 7.680836       335.5114 0.000000       0.000000 79.20213 35.38086 ?        ?        0.000000       35.38086 
1 1 1 17  31 15 o 68.35521 32.01287 -182.1502      321.6096 -182.1502      321.6096 0.000000       0.000000 68.35521 32.01287 ?        ?        0.000000       32.01287 
1 1 1 17  31 16 o 124.3477 39.76568 603.3866       327.6189 603.3866       327.6189 0.000000       0.000000 124.3477 39.76568 ?        ?        0.000000       39.76568 
1 1 1 17  31 17 o 128.0919 38.87038 640.2441       317.4811 640.2441       317.4811 0.000000       0.000000 128.0919 38.87038 ?        ?        0.000000       38.87038 
1 1 1 17  31 18 o 122.8042 38.95982 593.8830       314.9846 593.8830       314.9846 0.000000       0.000000 122.8042 38.95982 ?        ?        0.000000       38.95982 
1 1 1 17  31 19 o 135.2045 38.50195 723.4260       319.9618 723.4260       319.9618 0.000000       0.000000 135.2045 38.50195 ?        ?        0.000000       38.50195 
1 1 1 17  31 20 f 67.95717 31.56456 -109.0872      302.4434 -109.0872      302.4434 0.000000       0.000000 67.95717 31.56456 ?        ?        0.000000       31.56456 
1 1 1 17  31 21 o 86.65232 35.38546 230.9812       284.5266 230.9812       284.5266 0.000000       0.000000 86.65232 35.38546 ?        ?        0.000000       35.38546 
1 1 1 17  31 22 o 66.72937 30.72674 -66.03227      277.5982 -66.03227      277.5982 0.000000       0.000000 66.72937 30.72674 ?        ?        0.000000       30.72674 
1 1 1 17  31 23 o 56.24427 27.07558 -261.4481      263.6910 -261.4481      263.6910 0.000000       0.000000 56.24427 27.07558 ?        ?        0.000000       27.07558 
1 1 1 17  31 24 o 76.35568 32.08014 146.4533       243.2588 146.4533       243.2588 0.000000       0.000000 76.35568 32.08014 ?        ?        0.000000       32.08014 
1 1 1 17  31 25 o 168.1107 27.01037 999.7286       257.2852 999.7286       257.2852 0.000000       0.000000 168.1107 27.01037 ?        ?        0.000000       27.01037 
1 1 1 17  31 26 o 91.80039 33.30060 327.9120       231.1639 327.9120       231.1639 0.000000       0.000000 91.80039 33.30060 ?        ?        0.000000       33.30060 
1 1 1 17  31 27 o 133.1004 29.57888 663.8370       224.9026 908.7719       266.3469 55.31927       419.8159 155.6821 30.26182 80.24249 37.24253 75.43957       47.98733 
1 1 1 17  31 28 o 117.9261 32.38777 554.1593       230.8212 437.2556       273.0361 846.9827       432.1245 100.9557 36.24789 125.6041 45.53457 -24.64845      58.20057 
1 1 1 17  31 29 f 60.99649 28.26634 -58.23507      240.4265 -5.637944      288.3541 -178.2030      435.4896 68.16883 31.36296 72.06451 34.71760 -3.895676      46.78618 
1 1 1 17  31 30 o 103.3433 33.69769 448.1696       234.5388 202.5606       280.8796 1013.823       426.2586 79.84566 34.04852 137.6035 45.45913 -57.75787      56.79642 
1 1 1 17  31 31 f 63.41779 29.90059 -99.35831      288.9132 -99.35831      288.9132 0.000000       0.000000 63.41779 29.90059 ?        ?        0.000000       29.90059 
1 1 1 17  32 0  o 40.10464 19.08502 -144.9265      123.0513 -83.66813      402.6492 -151.2371      129.2340 83.46559 37.88677 41.10988 19.56204 42.35571       42.63896 
1 1 1 17  32 1  o 91.56203 23.17078 271.0842       124.5084 1379.827       392.6792 147.1565       131.2824 201.4636 34.47311 71.39121 25.18673 130.0724       42.69387 
1 1 1 17  32 2  o 203.0028 11.71439 1232.207       138.8749 1904.654       404.8924 1142.551       147.8434 241.6173 29.16251 195.0156 13.00077 46.60173       31.92918 
1 1 1 17  32 3  o 97.33199 22.21181 304.9855       123.9854 -262.8112      369.5110 377.0221       131.6156 72.29152 34.00093 108.7527 21.39808 -36.46114      40.17389 
1 1 1 17  32 4  o 66.76636 23.92349 124.9620       118.8671 -625.0367      380.5610 206.0427       125.1275 62.01606 30.44263 80.25260 24.41273 -18.23654      39.02224 
1 1 1 17  32 5  o 106.3334 20.17413 358.7307       121.2086 -197.3736      394.3520 416.7474       127.3744 77.16415 35.90945 115.0388 19.58013 -37.87466      40.90074 
1 1 1 17  32 6  o 183.2090 12.31838 1008.389       131.5890 817.1369       393.6076 1032.454       139.6227 146.6792 42.98962 185.1652 12.93861 -38.48599      44.89448 
1 1 1 17  32 7  o 92.33164 21.30947 275.0781       113.0504 509.8861       365.9273 250.3020       118.8652 118.4032 42.02392 87.67296 22.87885 30.73028       47.84821 
1 1 1 17  32 8  o 190.6841 11.44661 1089.840       127.4201 1248.169       371.5941 1068.743       135.6440 188.9244 34.82006 188.4939 12.33805 0.4305267      36.94136 
1 1 1 17  32 9  o 332.7820 9.130981 3290.314       178.0398 2767.086       379.1509 3438.322       201.6551 296.0161 21.99690 339.6790 10.13388 -43.66293      24.21898 
1 1 1 17  32 10 o 119.6841 18.17865 449.9288       123.5919 17.92321       333.9316 518.4989       133.0394 79.90688 35.52148 128.6549 18.13452 -48.74805      39.88278 
1 1 1 17  32 11 o 115.4970 18.57856 421.5111       121.5769 -115.5123      310.3997 518.8263       132.1341 70.36486 32.43347 128.6362 18.00725 -58.27134      37.09705 
1 1 1 17  32 12 o 103.6382 38.67552 377.9767       315.4753 377.9767       315.4753 0.000000       0.000000 103.6382 38.67552 ?        ?        0.000000       38.67552 
1 1 1 17  32 13 o 54.46307 26.77556 -492.8120      297.9826 -492.8120      297.9826 0.000000       0.000000 54.46307 26.77556 ?        ?        0.000000       26.77556 
1 1 1 17  32 14 o 204.6581 27.27484 1407.087       319.2293 1407.087       319.2293 0.000000       0.000000 204.6581 27.27484 ?        ?        0.000000       27.27484 
1 1 1 17  32 15 o 109.2299 39.61101 455.5190       327.0421 455.5190       327.0421 0.000000       0.000000 109.2299 39.61101 ?        ?        0.000000       39.61101 
1 1 1 17  32 16 o 90.23392 37.67381 221.4293       332.3022 221.4293       332.3022 0.000000       0.000000 90.23392 37.67381 ?        ?        0.000000       37.67381 
1 1 1 17  32 17 o 64.99239 31.02185 -261.2673      330.1973 -261.2673      330.1973 0.000000       0.000000 64.99239 31.02185 ?        ?        0.000000       31.02185 
1 1 1 17  32 18 o 78.85967 34.70666 83.22179       311.1497 83.22179       311.1497 0.000000       0.000000 78.85967 34.70666 ?        ?        0.000000       34.70666 
1 1 1 17  32 19 o 112.8039 38.77663 522.2684       310.1009 522.2684       310.1009 0.000000       0.000000 112.8039 38.77663 ?        ?        0.000000       38.77663 
1 1 1 17  32 20 o 73.21345 33.03450 15.40263       300.6991 15.40263       300.6991 0.000000       0.000000 73.21345 33.03450 ?        ?        0.000000       33.03450 
1 1 1 17  32 21 o 68.80790 31.34725 -23.31209      278.7916 -23.31209      278.7916 0.000000       0.000000 68.80790 31.34725 ?        ?        0.000000       31.34725 
1 1 1 17  32 22 o 104.2603 36.18286 440.3834       270.2511 440.3834       270.2511 0.000000       0.000000 104.2603 36.18286 ?        ?        0.000000       36.18286 
1 1 1 17  32 23 o 83.64973 33.98925 229.9917       260.9510 229.9917       260.9510 0.000000       0.000000 83.64973 33.98925 ?        ?        0.000000       33.98925 
1 1 1 17  32 24 o 111.1326 34.99526 507.4812       254.5706 507.4812       254.5706 0.000000       0.000000 111.1326 34.99526 ?        ?        0.000000       34.99526 
1 1 1 17  32 25 o 95.02753 36.05922 370.7464       276.7631 370.7464       276.7631 0.000000       0.000000 95.02753 36.05922 ?        ?        0.000000       36.05922 
1 1 1 17  32 26 o 140.8025 31.44291 763.6668       253.0778 763.6668       253.0778 0.000000       0.000000 140.8025 31.44291 ?        ?        0.000000       31.44291 
1 1 1 17  32 27 o 69.88766 31.40840 50.86425       268.7595 50.86425       268.7595 0.000000       0.000000 69.88766 31.40840 ?        ?        0.000000       31.40840 
1 1 1 17  32 28 o 51.03261 24.81273 -270.3629      235.7944 -216.2550      284.6504 -388.6769      420.9197 58.61724 28.19572 65.24525 32.02543 -6.628017      42.66880 
1 1 1 17  32 29 o 101.5857 34.24306 438.8488       241.6610 485.6614       294.8824 343.1110       421.7057 103.0747 37.57847 91.17057 40.25329 11.90408       55.06786 
1 1 1 17  32 30 f 56.39213 26.76001 -139.1306      238.5369 -59.22234      294.3304 -292.0634      407.1830 65.46898 30.64952 66.19204 32.27785 -0.7230606     44.51126 
1 1 1 17  33 0  o 148.4671 16.21081 678.0527       138.8607 793.0441       429.3051 664.6163       146.7494 140.9800 45.56203 146.4511 17.42712 -5.471115      48.78117 
1 1 1 17  33 1  o 49.29741 21.91196 -29.28773      127.0318 461.7922       386.6193 -88.72034      134.4992 113.6471 42.73122 46.06190 21.27367 67.58517       47.73391 
1 1 1 17  33 2  o 57.11798 23.47434 48.68372       126.2277 489.9497       369.7552 -9.525919      134.2955 115.6510 42.09226 52.48259 22.95806 63.16838       47.94613 
1 1 1 17  33 3  o 60.55263 24.11875 74.52734       128.6129 57.72204       357.8293 77.02044       137.8231 84.52629 37.20916 62.15095 24.89621 22.37534       44.76989 
1 1 1 17  33 4  o 82.71782 23.94829 224.3520       122.8151 781.5438       354.8779 148.5373       130.9041 143.1999 40.47107 70.81110 25.13459 72.38884       47.64090 
1 1 1 17  33 5  o 83.25725 23.34359 227.5712       118.5556 138.1460       370.9881 237.7423       125.1162 89.72991 38.71055 84.92613 24.04029 4.803780       45.56800 
1 1 1 17  33 6  o 46.63839 20.88110 -35.47123      117.5683 433.1378       362.7371 -90.47704      124.2771 109.6882 41.35838 43.63513 20.25590 66.05311       46.05233 
1 1 1 17  33 7  o 237.2180 10.23042 1681.404       141.9939 1692.099       389.0049 1679.760       152.5176 222.5979 30.60720 236.7526 11.01455 -14.15469      32.52877 
1 1 1 17  33 8  o 309.7497 9.181971 2855.741       166.6164 3787.800       432.8822 2693.644       180.5243 345.7602 21.45304 300.2664 10.26639 45.49380       23.78301 
1 1 1 17  33 9  o 131.4935 16.37483 537.3034       123.5506 235.3431       361.8962 577.1407       131.4481 94.09445 39.30284 136.1372 16.82111 -42.04274      42.75117 
1 1 1 17  33 10 o 56.53873 23.48664 44.84547       128.2084 396.3239       335.6149 -15.21053      138.7299 104.8129 39.72319 52.36072 23.10423 52.45221       45.95364 
1 1 1 17  33 11 o 49.53751 22.01416 -24.08684      128.1530 512.7678       348.7478 -107.8959      137.7934 114.4695 40.98240 45.02546 21.04371 69.44408       46.06945 
1 1 1 17  33 12 o 84.01390 36.34225 124.6537       328.7242 124.6537       328.7242 0.000000       0.000000 84.01390 36.34225 ?        ?        0.000000       36.34225 
1 1 1 17  33 13 o 136.5214 40.04474 745.2197       341.4106 745.2197       341.4106 0.000000       0.000000 136.5214 40.04474 ?        ?        0.000000       40.04474 
1 1 1 17  33 14 o 148.7980 38.46882 866.5626       338.1520 866.5626       338.1520 0.000000       0.000000 148.7980 38.46882 ?        ?        0.000000       38.46882 
1 1 1 17  33 15 o 77.01877 34.62401 22.88100       326.8930 22.88100       326.8930 0.000000       0.000000 77.01877 34.62401 ?        ?        0.000000       34.62401 
1 1 1 17  33 16 o 87.93707 36.36401 228.7324       305.4013 228.7324       305.4013 0.000000       0.000000 87.93707 36.36401 ?        ?        0.000000       36.36401 
1 1 1 17  33 17 o 68.23198 32.08299 -149.4722      328.6110 -149.4722      328.6110 0.000000       0.000000 68.23198 32.08299 ?        ?        0.000000       32.08299 
1 1 1 17  33 18 o 96.08477 38.44481 343.0795       328.2577 343.0795       328.2577 0.000000       0.000000 96.08477 38.44481 ?        ?        0.000000       38.44481 
1 1 1 17  33 19 o 73.90018 33.57688 9.065087       317.1823 9.065087       317.1823 0.000000       0.000000 73.90018 33.57688 ?        ?        0.000000       33.57688 
1 1 1 17  33 20 o 228.4543 24.82908 1777.595       327.3232 1777.595       327.3232 0.000000       0.000000 228.4543 24.82908 ?        ?        0.000000       24.82908 
1 1 1 17  33 21 o 92.37099 36.44770 324.6827       291.1213 324.6827       291.1213 0.000000       0.000000 92.37099 36.44770 ?        ?        0.000000       36.44770 
1 1 1 17  33 22 o 68.32295 30.92393 9.779892       265.9237 9.779892       265.9237 0.000000       0.000000 68.32295 30.92393 ?        ?        0.000000       30.92393 
1 1 1 17  33 23 o 55.76825 26.80143 -226.4488      255.8754 -226.4488      255.8754 0.000000       0.000000 55.76825 26.80143 ?        ?        0.000000       26.80143 
1 1 1 17  33 24 o 72.26544 32.14824 77.33392       274.0323 77.33392       274.0323 0.000000       0.000000 72.26544 32.14824 ?        ?        0.000000       32.14824 
1 1 1 17  33 25 o 58.25917 27.51529 -133.4792      246.5748 -133.4792      246.5748 0.000000       0.000000 58.25917 27.51529 ?        ?        0.000000       27.51529 
1 1 1 17  33 26 o 63.76662 29.71490 -64.56657      271.4809 -64.56657      271.4809 0.000000       0.000000 63.76662 29.71490 ?        ?        0.000000       29.71490 
1 1 1 17  33 27 o 66.20736 30.64250 -27.34681      281.2225 -27.34681      281.2225 0.000000       0.000000 66.20736 30.64250 ?        ?        0.000000       30.64250 
1 1 1 17  33 28 o 103.4414 37.52648 491.6131       293.5645 491.6131       293.5645 0.000000       0.000000 103.4414 37.52648 ?        ?        0.000000       37.52648 
1 1 1 17  33 29 f 70.04082 30.97602 93.57822       250.7290 216.8744       311.7311 -132.3247      421.9552 80.89169 35.18825 71.41563 34.34604 9.476051       49.17177 
1 1 1 17  34 0  o 143.2856 16.63054 637.9049       137.1595 430.3049       397.4710 665.9677       146.1362 108.7708 42.68842 146.0603 17.40165 -37.28951      46.09901 
1 1 1 17  34 1  o 82.00169 26.68015 221.7004       147.0668 0.000000       0.000000 221.7004       147.0668 ?        ?        82.00169 26.68015 0.000000       26.68015 
1 1 1 17  34 2  o 47.93628 21.77197 -56.15462      133.2066 286.8460       365.0823 -108.8303      143.0700 97.58321 39.99311 46.10593 21.51380 51.47727       45.41247 
1 1 1 17  34 3  o 148.9927 15.84898 686.0975       136.3668 572.1209       362.4164 704.8958       147.1834 120.2140 41.89009 150.4886 16.97219 -30.27460      45.19773 
1 1 1 17  34 4  o 56.94896 23.26260 55.41468       123.0117 -151.3771      341.3878 86.26996       131.8700 71.42797 33.29732 61.97490 24.50658 9.453072       41.34349 
1 1 1 17  34 5  o 122.6707 17.74113 473.9242       123.9335 29.14730       340.6028 541.7980       133.0542 79.87238 35.66648 131.2994 17.73167 -51.42706      39.83102 
1 1 1 17  34 6  o 258.4699 9.810163 1996.077       148.4389 2008.991       351.5975 1993.276       163.7477 247.7104 24.52350 257.7526 10.85663 -10.04211      26.81919 
1 1 1 17  34 7  o 79.35343 24.07929 208.7887       121.8357 -234.9480      318.3283 284.9464       131.8771 65.24132 30.94590 92.03669 24.13820 -26.79537      39.24667 
1 1 1 17  34 8  o 69.60188 24.07266 150.4968       119.5770 234.1515       314.6292 136.3734       129.2776 90.46628 37.10731 68.18086 24.87774 22.28542       44.67498 
1 1 1 17  34 9  o 150.5842 15.33447 700.9410       133.5375 324.8353       328.5561 775.3646       146.1537 97.75047 38.67327 158.1041 15.98136 -60.35362      41.84526 
1 1 1 17  34 10 o 65.42680 24.49772 119.3897       126.7887 350.0942       328.1637 78.90925       137.4628 99.50227 38.86558 61.47845 24.78123 38.02382       46.09384 
1 1 1 17  34 11 o 129.5526 18.65759 534.6604       137.6775 522.9330       309.8516 537.5453       153.6817 114.8816 38.77454 128.5365 21.11948 -13.65491      44.15311 
1 1 1 17  34 12 o 82.33080 36.16491 106.5352       336.3607 106.5352       336.3607 0.000000       0.000000 82.33080 36.16491 ?        ?        0.000000       36.16491 
1 1 1 17  34 13 o 93.89590 38.47976 291.6894       337.9513 291.6894       337.9513 0.000000       0.000000 93.89590 38.47976 ?        ?        0.000000       38.47976 
1 1 1 17  34 14 o 87.40714 37.13938 209.4737       332.1056 209.4737       332.1056 0.000000       0.000000 87.40714 37.13938 ?        ?        0.000000       37.13938 
1 1 1 17  34 15 o 57.30678 27.96772 -389.2572      307.4692 -389.2572      307.4692 0.000000       0.000000 57.30678 27.96772 ?        ?        0.000000       27.96772 
1 1 1 17  34 16 o 82.15286 35.33579 161.5796       307.3445 161.5796       307.3445 0.000000       0.000000 82.15286 35.33579 ?        ?        0.000000       35.33579 
1 1 1 17  34 17 f 75.46748 34.01814 40.99343       317.9717 40.99343       317.9717 0.000000       0.000000 75.46748 34.01814 ?        ?        0.000000       34.01814 
1 1 1 17  34 18 o 71.51547 33.34692 -76.17552      342.7682 -76.17552      342.7682 0.000000       0.000000 71.51547 33.34692 ?        ?        0.000000       33.34692 
1 1 1 17  34 19 o 75.60024 34.40332 35.74171       334.6218 35.74171       334.6218 0.000000       0.000000 75.60024 34.40332 ?        ?        0.000000       34.40332 
1 1 1 17  34 20 o 79.44187 34.78205 144.9410       308.8534 144.9410       308.8534 0.000000       0.000000 79.44187 34.78205 ?        ?        0.000000       34.78205 
1 1 1 17  34 21 o 80.58711 35.17967 166.1835       313.9260 166.1835       313.9260 0.000000       0.000000 80.58711 35.17967 ?        ?        0.000000       35.17967 
1 1 1 17  34 22 o 111.5799 36.69570 540.2968       277.8648 540.2968       277.8648 0.000000       0.000000 111.5799 36.69570 ?        ?        0.000000       36.69570 
1 1 1 17  34 23 o 100.9720 36.41405 440.3947       275.8981 440.3947       275.8981 0.000000       0.000000 100.9720 36.41405 ?        ?        0.000000       36.41405 
1 1 1 17  34 24 o 93.32654 36.80294 369.4164       296.6664 369.4164       296.6664 0.000000       0.000000 93.32654 36.80294 ?        ?        0.000000       36.80294 
1 1 1 17  34 25 o 134.6234 34.04008 747.7696       268.8748 747.7696       268.8748 0.000000       0.000000 134.6234 34.04008 ?        ?        0.000000       34.04008 
1 1 1 17  34 26 o 59.79971 28.59575 -175.3906      283.3190 -175.3906      283.3190 0.000000       0.000000 59.79971 28.59575 ?        ?        0.000000       28.59575 
1 1 1 17  34 27 o 116.7758 38.93576 648.8317       312.5193 648.8317       312.5193 0.000000       0.000000 116.7758 38.93576 ?        ?        0.000000       38.93576 
1 1 1 17  35 0  o 54.41867 23.45885 14.84209       136.0398 707.3964       370.2192 -93.26749      146.2730 130.3259 42.32595 47.51205 22.02794 82.81389       47.71495 
1 1 1 17  35 1  o 131.2287 18.63790 547.3612       139.4126 577.8125       374.8853 542.4741       150.1836 118.4015 42.47848 129.6655 20.42406 -11.26394      47.13346 
1 1 1 17  35 2  o 54.80978 23.50773 20.16292       135.2968 -71.02256      367.5897 34.45169       145.5117 76.51733 35.27861 57.84077 24.58037 18.67657       42.99738 
1 1 1 17  35 3  o 113.8681 22.60399 429.0757       145.6247 0.000000       0.000000 429.0757       145.6247 ?        ?        113.8681 22.60399 0.000000       22.60399 
1 1 1 17  35 4  o 39.69334 18.90027 -134.2901      121.0369 -166.9947      348.6116 -129.8073      129.0659 70.67596 33.17308 41.69497 19.75594 28.98100       38.61024 
1 1 1 17  35 5  o 67.96553 24.12457 140.7526       120.5950 476.0422       331.4483 89.59403       129.4687 110.0364 39.88071 61.70269 24.31862 48.33372       46.71045 
1 1 1 17  35 6  o 161.3247 14.38302 800.2740       134.6567 717.2283       327.3004 817.1946       147.7393 133.8313 39.19557 162.3173 15.71600 -28.48601      42.22897 
1 1 1 17  35 7  o 50.16552 22.21700 -16.64643      129.4188 -36.19806      316.0960 -12.70890      141.8534 73.10670 33.33382 52.73285 23.31142 20.37385       40.67636 
1 1 1 17  35 8  o 55.66434 23.35902 40.65152       128.7366 -436.4029      325.5764 129.0621       140.1590 58.54509 28.61677 67.68583 25.66631 -9.140739      38.44059 
1 1 1 17  35 9  o 122.7189 19.74601 487.1949       137.2947 467.4206       342.2101 490.9884       149.8867 107.7998 40.27049 122.0498 21.73695 -14.25002      45.76251 
1 1 1 17  35 10 o 59.94739 24.50460 70.60524       136.6157 368.7266       345.2875 15.27394       148.7544 99.35488 39.53689 56.08746 24.35379 43.26743       46.43568 
1 1 1 17  35 11 o 69.17296 32.33342 -119.4290      325.4599 -119.4290      325.4599 0.000000       0.000000 69.17296 32.33342 ?        ?        0.000000       32.33342 
1 1 1 17  35 12 o 69.11752 32.31454 -114.2076      325.3716 -114.2076      325.3716 0.000000       0.000000 69.11752 32.31454 ?        ?        0.000000       32.31454 
1 1 1 17  35 13 o 114.6995 39.61041 561.2534       323.7079 561.2534       323.7079 0.000000       0.000000 114.6995 39.61041 ?        ?        0.000000       39.61041 
1 1 1 17  35 14 o 129.1783 38.14675 694.4896       308.9383 694.4896       308.9383 0.000000       0.000000 129.1783 38.14675 ?        ?        0.000000       38.14675 
1 1 1 17  35 15 o 143.0012 38.40698 851.6287       328.8966 851.6287       328.8966 0.000000       0.000000 143.0012 38.40698 ?        ?        0.000000       38.40698 
1 1 1 17  35 16 f 69.33375 32.20209 -67.17618      314.7141 -67.17618      314.7141 0.000000       0.000000 69.33375 32.20209 ?        ?        0.000000       32.20209 
1 1 1 17  35 17 o 156.3892 38.49392 1026.278       350.6432 1026.278       350.6432 0.000000       0.000000 156.3892 38.49392 ?        ?        0.000000       38.49392 
1 1 1 17  35 18 o 89.67683 37.20826 295.4822       321.2371 295.4822       321.2371 0.000000       0.000000 89.67683 37.20826 ?        ?        0.000000       37.20826 
1 1 1 17  35 19 o 151.0398 38.47335 976.7503       341.6949 976.7503       341.6949 0.000000       0.000000 151.0398 38.47335 ?        ?        0.000000       38.47335 
1 1 1 17  35 20 o 71.85394 32.97801 14.56923       316.1502 14.56923       316.1502 0.000000       0.000000 71.85394 32.97801 ?        ?        0.000000       32.97801 
1 1 1 17  35 21 o 116.6039 38.96910 623.5862       313.0247 623.5862       313.0247 0.000000       0.000000 116.6039 38.96910 ?        ?        0.000000       38.96910 
1 1 1 17  35 22 o 75.80798 32.25209 160.6846       251.0038 160.6846       251.0038 0.000000       0.000000 75.80798 32.25209 ?        ?        0.000000       32.25209 
1 1 1 17  35 23 o 102.4133 36.84557 471.2138       282.2762 471.2138       282.2762 0.000000       0.000000 102.4133 36.84557 ?        ?        0.000000       36.84557 
1 1 1 17  35 24 o 77.86070 34.41053 159.0342       308.8939 159.0342       308.8939 0.000000       0.000000 77.86070 34.41053 ?        ?        0.000000       34.41053 
1 1 1 17  35 25 f 67.70654 31.09239 8.106733       281.5826 8.106733       281.5826 0.000000       0.000000 67.70654 31.09239 ?        ?        0.000000       31.09239 
1 1 1 17  35 26 o 97.09352 37.88054 443.3907       311.4454 443.3907       311.4454 0.000000       0.000000 97.09352 37.88054 ?        ?        0.000000       37.88054 
1 1 1 17  36 0  o 98.46883 24.14041 331.0653       138.3169 678.6179       374.6417 276.2149       148.8317 124.9687 42.63104 89.08192 26.52028 35.88682       50.20688 
1 1 1 17  36 1  o 86.86859 25.20161 259.6974       135.8792 257.4961       379.1914 260.0218       145.5446 92.97528 39.60141 86.64523 26.32349 6.330055       47.55206 
1 1 1 17  36 2  o 57.27266 23.71607 54.50112       130.1458 -129.7002      366.2107 81.12849       139.2351 72.86479 34.13636 61.52905 24.89082 11.33574       42.24741 
1 1 1 17  36 3  o 57.24262 23.63373 56.27098       128.7244 181.2808       354.5084 37.28572       138.1538 87.11675 37.71251 56.59826 23.99745 30.51849       44.70024 
1 1 1 17  36 4  o 47.23742 21.40596 -44.99907      127.8785 288.4021       343.5880 -98.60860      137.7766 93.38760 38.58969 45.21985 21.10421 48.16774       43.98354 
1 1 1 17  36 5  o 50.39086 22.55600 -27.10818      137.1005 0.000000       0.000000 -27.10818      137.1005 ?        ?        50.39086 22.55600 0.000000       22.55600 
1 1 1 17  36 6  o 50.01420 22.42647 -29.01192      136.1732 -457.2577      346.1470 49.39887       148.1160 59.64822 29.22957 59.09306 24.94137 0.5551567      38.42447 
1 1 1 17  36 7  f 185.2952 14.33377 1060.391       154.5566 1340.199       348.4622 991.8635       172.4471 190.9241 32.26908 177.5524 16.75899 13.37172       36.36148 
1 1 1 17  36 8  o 70.42758 26.16219 152.6208       144.0404 -292.7722      349.7107 243.6190       158.0715 64.65375 31.13823 83.43651 27.68728 -18.78276      41.66744 
1 1 1 17  36 9  o 95.09763 25.64479 318.1622       146.2748 90.49901       340.2098 369.7928       162.0145 79.83320 35.64766 101.9245 26.76564 -22.09129      44.57751 
1 1 1 17  36 10 o 40.30346 19.47516 -185.7768      139.5634 -468.4999      332.3190 -125.2338      153.7823 57.45621 28.25284 46.28296 21.81960 11.17325       35.69759 
1 1 1 17  36 11 o 65.05836 31.54601 -342.3576      374.2978 -342.3576      374.2978 0.000000       0.000000 65.05836 31.54601 ?        ?        0.000000       31.54601 
1 1 1 17  36 12 o 97.51016 40.66934 373.5204       386.6535 373.5204       386.6535 0.000000       0.000000 97.51016 40.66934 ?        ?        0.000000       40.66934 
1 1 1 17  36 13 o 161.3948 38.50504 1080.849       359.3580 1080.849       359.3580 0.000000       0.000000 161.3948 38.50504 ?        ?        0.000000       38.50504 
1 1 1 17  36 14 o 77.41852 34.62177 90.26115       322.1998 90.26115       322.1998 0.000000       0.000000 77.41852 34.62177 ?        ?        0.000000       34.62177 
1 1 1 17  36 15 o 138.1261 37.57406 805.9756       312.3885 805.9756       312.3885 0.000000       0.000000 138.1261 37.57406 ?        ?        0.000000       37.57406 
1 1 1 17  36 16 o 72.59486 33.47605 -3.351348      331.1944 -3.351348      331.1944 0.000000       0.000000 72.59486 33.47605 ?        ?        0.000000       33.47605 
1 1 1 17  36 17 o 87.38634 36.42568 277.8185       309.9080 277.8185       309.9080 0.000000       0.000000 87.38634 36.42568 ?        ?        0.000000       36.42568 
1 1 1 17  36 18 o 70.10310 32.45362 -18.22523      315.7397 -18.22523      315.7397 0.000000       0.000000 70.10310 32.45362 ?        ?        0.000000       32.45362 
1 1 1 17  36 19 o 91.89828 37.64749 348.8741       323.3430 348.8741       323.3430 0.000000       0.000000 91.89828 37.64749 ?        ?        0.000000       37.64749 
1 1 1 17  36 20 f 65.38496 31.08622 -140.1065      324.9261 -140.1065      324.9261 0.000000       0.000000 65.38496 31.08622 ?        ?        0.000000       31.08622 
1 1 1 17  36 21 o 73.41366 33.53706 59.68219       321.9181 59.68219       321.9181 0.000000       0.000000 73.41366 33.53706 ?        ?        0.000000       33.53706 
1 1 1 17  36 22 o 92.49646 35.86418 369.1188       277.8216 369.1188       277.8216 0.000000       0.000000 92.49646 35.86418 ?        ?        0.000000       35.86418 
1 1 1 17  36 23 o 87.96642 36.29952 317.7364       303.4530 317.7364       303.4530 0.000000       0.000000 87.96642 36.29952 ?        ?        0.000000       36.29952 
1 1 1 17  36 24 o 49.20173 24.72900 -679.5126      317.8172 -679.5126      317.8172 0.000000       0.000000 49.20173 24.72900 ?        ?        0.000000       24.72900 
1 1 1 17  37 0  o 70.78889 25.91071 158.5489       140.4009 644.8646       385.0612 83.98074       150.7812 118.1903 42.96378 62.63595 25.68964 55.55435       50.05841 
1 1 1 17  37 1  o 69.33664 25.32342 150.8037       133.9977 95.57289       357.2744 159.8445       144.5494 80.88158 36.29207 71.20159 26.25220 9.679985       44.79166 
1 1 1 17  37 2  o 92.39458 25.02069 299.3054       138.8918 326.4549       339.8141 293.8601       152.1842 94.12703 38.58134 90.75397 26.76671 3.373062       46.95718 
1 1 1 17  37 3  o 131.9001 18.87015 563.0909       141.8181 348.7712       330.0319 611.6276       157.0579 95.58197 38.44353 136.6509 20.20572 -41.06897      43.43013 
1 1 1 17  37 4  o 41.14229 19.70433 -154.5045      135.6555 -3.018011      333.1229 -184.6197      148.5287 74.22426 33.98594 42.04711 20.26122 32.17715       39.56717 
1 1 1 17  37 5  o 59.07705 24.57246 62.88398       140.5928 -48.34737      339.8275 85.85430       154.4288 72.61749 33.63549 63.18164 25.96525 9.435848       42.49165 
1 1 1 17  37 6  o 73.00631 26.73983 172.2145       149.5676 89.73178       336.6632 192.4975       166.9476 79.04391 35.36646 76.38879 28.20440 2.655121       45.23577 
1 1 1 17  37 7  o 86.54025 30.24289 271.2526       188.9769 0.000000       0.000000 271.2526       188.9769 ?        ?        86.54025 30.24289 0.000000       30.24289 
1 1 1 17  37 8  o 196.8491 14.91633 1207.092       170.9234 789.9714       367.6020 1322.146       193.0623 131.3920 42.13304 205.0095 16.18861 -73.61752      45.13606 
1 1 1 17  37 9  o 78.39785 26.98019 213.3869       150.1384 350.4261       386.5240 189.0365       162.9323 95.39908 40.27934 75.48611 27.86457 19.91297       48.97815 
1 1 1 17  37 10 o 100.2295 27.44029 366.2587       165.9892 -166.4566      420.8862 464.3756       180.6297 73.51453 35.07140 113.1395 27.49542 -39.62495      44.56458 
1 1 1 17  37 11 o 76.58582 35.44695 5.904135       376.3619 5.904135       376.3619 0.000000       0.000000 76.58582 35.44695 ?        ?        0.000000       35.44695 
1 1 1 17  37 12 o 87.63816 37.90741 251.9015       357.5997 251.9015       357.5997 0.000000       0.000000 87.63816 37.90741 ?        ?        0.000000       37.90741 
1 1 1 17  37 13 o 81.79951 36.67792 147.8157       364.2020 147.8157       364.2020 0.000000       0.000000 81.79951 36.67792 ?        ?        0.000000       36.67792 
1 1 1 17  37 14 o 131.0688 41.63792 812.5273       359.6736 812.5273       359.6736 0.000000       0.000000 131.0688 41.63792 ?        ?        0.000000       41.63792 
1 1 1 17  37 15 o 62.27614 30.06143 -250.8994      330.4180 -250.8994      330.4180 0.000000       0.000000 62.27614 30.06143 ?        ?        0.000000       30.06143 
1 1 1 17  37 16 o 110.6918 39.00603 568.4675       314.7967 568.4675       314.7967 0.000000       0.000000 110.6918 39.00603 ?        ?        0.000000       39.00603 
1 1 1 17  37 17 o 99.89073 39.11691 459.4100       333.1226 459.4100       333.1226 0.000000       0.000000 99.89073 39.11691 ?        ?        0.000000       39.11691 
1 1 1 17  37 18 o 150.3301 37.20099 973.1717       326.1838 973.1717       326.1838 0.000000       0.000000 150.3301 37.20099 ?        ?        0.000000       37.20099 
1 1 1 17  37 19 o 62.44576 30.17895 -236.1696      335.4319 -236.1696      335.4319 0.000000       0.000000 62.44576 30.17895 ?        ?        0.000000       30.17895 
1 1 1 17  37 20 o 88.23823 37.35212 319.3207       333.7989 319.3207       333.7989 0.000000       0.000000 88.23823 37.35212 ?        ?        0.000000       37.35212 
1 1 1 17  37 21 o 92.40424 38.06606 382.7636       332.9537 382.7636       332.9537 0.000000       0.000000 92.40424 38.06606 ?        ?        0.000000       38.06606 
1 1 1 17  37 22 o 53.43509 26.23211 -350.3265      282.7180 -350.3265      282.7180 0.000000       0.000000 53.43509 26.23211 ?        ?        0.000000       26.23211 
1 1 1 17  38 0  o 73.17735 27.13289 174.9704       154.7935 367.8166       380.0485 136.6159       169.4890 95.91350 40.18452 69.57360 27.69550 26.33990       48.80407 
1 1 1 17  38 1  o 74.03601 26.82232 183.0537       149.9084 51.69426       335.7487 215.7609       167.5350 76.18093 34.58655 78.83164 28.38270 -2.650711      44.74156 
1 1 1 17  38 2  o 61.96550 25.53509 82.84140       149.8890 -65.25605      325.6369 122.6542       168.8384 69.92455 32.57093 68.02197 27.44807 1.902580       42.59415 
1 1 1 17  38 3  o 88.22089 26.43470 280.2956       147.5049 345.1744       329.8971 264.0840       164.9072 93.79514 38.17754 85.24943 28.27931 8.545715       47.51046 
1 1 1 17  38 4  f 50.30223 23.03086 -55.39135      152.9414 267.2174       342.5381 -135.7199      170.9250 88.61687 37.68819 48.28979 22.83742 40.32709       44.06754 
1 1 1 17  38 5  o 138.1498 20.93145 634.9728       164.2836 501.7352       355.1601 671.2408       185.2989 105.3872 40.63387 140.1547 23.36529 -34.76743      46.87268 
1 1 1 17  38 6  f 171.1002 17.42938 937.2014       172.4580 1046.942       350.1207 902.0466       198.1650 157.7531 38.24473 164.8583 20.96973 -7.105194      43.61638 
1 1 1 17  38 7  o 270.5308 12.74415 2248.008       201.6301 1666.852       392.1588 2456.846       235.0830 207.9134 33.28320 281.2052 14.30131 -73.29187      36.22566 
1 1 1 17  38 8  o 59.04478 25.54385 40.12228       162.4310 22.69512       374.3835 44.16341       180.2828 76.57718 35.41155 61.53141 26.76326 15.04577       44.38750 
1 1 1 17  38 9  o 129.3446 22.62000 572.0374       165.3448 574.7122       409.8981 571.5176       180.6983 107.5874 42.98960 127.2358 25.10750 -19.64842      49.78447 
1 1 1 17  38 10 o 82.63605 26.64077 247.7238       146.8332 -460.0319      379.1559 372.5954       159.2605 60.86760 29.97863 100.9268 26.55326 -40.05924      40.04740 
1 1 1 17  38 11 o 139.8311 43.81559 969.2790       399.5521 969.2790       399.5521 0.000000       0.000000 139.8311 43.81559 ?        ?        0.000000       43.81559 
1 1 1 17  38 12 o 56.76845 28.27803 -609.4111      374.8284 -609.4111      374.8284 0.000000       0.000000 56.76845 28.27803 ?        ?        0.000000       28.27803 
1 1 1 17  38 13 o 71.08856 33.44835 -59.44228      358.2224 -59.44228      358.2224 0.000000       0.000000 71.08856 33.44835 ?        ?        0.000000       33.44835 
1 1 1 17  38 14 f 85.87198 37.78876 250.4433       368.7748 250.4433       368.7748 0.000000       0.000000 85.87198 37.78876 ?        ?        0.000000       37.78876 
1 1 1 17  38 15 f 85.05862 37.27625 246.1956       355.4792 246.1956       355.4792 0.000000       0.000000 85.05862 37.27625 ?        ?        0.000000       37.27625 
1 1 1 17  38 16 o 89.18584 38.13713 325.0907       354.1416 325.0907       354.1416 0.000000       0.000000 89.18584 38.13713 ?        ?        0.000000       38.13713 
1 1 1 17  38 17 o 66.72049 31.92520 -146.9091      354.3302 -146.9091      354.3302 0.000000       0.000000 66.72049 31.92520 ?        ?        0.000000       31.92520 
1 1 1 17  38 18 o 108.8550 40.49520 600.5447       345.3330 600.5447       345.3330 0.000000       0.000000 108.8550 40.49520 ?        ?        0.000000       40.49520 
1 1 1 17  38 19 o 92.20052 38.44807 385.0594       345.4817 385.0594       345.4817 0.000000       0.000000 92.20052 38.44807 ?        ?        0.000000       38.44807 
1 1 1 17  38 20 o 76.40129 34.05205 148.5350       308.9364 148.5350       308.9364 0.000000       0.000000 76.40129 34.05205 ?        ?        0.000000       34.05205 
1 1 1 17  39 0  o 79.71826 27.82095 229.3285       159.8896 513.3338       371.9450 164.9500       177.0867 103.7405 41.11449 72.39072 28.46870 31.34979       50.00868 
1 1 1 17  39 1  o 69.64914 26.76488 152.6185       153.7294 512.1307       327.8872 51.32471       174.0440 105.3553 39.40632 61.15142 26.44821 44.20392       47.45910 
1 1 1 17  39 2  o 86.20943 27.66091 275.3044       158.4231 519.1094       343.2498 209.3120       178.5814 105.2241 40.10331 77.45177 29.05861 27.77238       49.52452 
1 1 1 17  39 3  o 46.86451 22.15576 -124.6846      160.6147 -783.0066      352.6390 47.62947       180.4146 51.40029 25.86245 61.52822 26.76732 -10.12794      37.22036 
1 1 1 17  39 4  o 68.51785 27.25098 137.6687       163.9502 -30.64040      365.4034 180.0926       183.4528 73.09583 34.19738 74.27496 29.04532 -1.179123      44.86749 
1 1 1 17  39 5  o 111.9090 26.07778 454.0452       167.9701 -83.94006      356.8380 607.1808       190.3811 70.36272 33.19185 130.2027 25.84389 -59.83996      42.06668 
1 1 1 17  39 6  o 111.9989 26.91041 460.9059       174.5505 608.2390       404.9855 427.2925       193.4399 108.8061 42.97117 105.0412 29.94494 3.764954       52.37577 
1 1 1 17  39 7  o 80.38687 29.25340 236.3269       178.5834 -43.77379      398.0922 306.8958       199.8172 74.31560 35.05698 88.74855 31.09223 -14.43295      46.85849 
1 1 1 17  39 8  o 201.0171 15.36884 1276.966       179.8122 1411.790       379.8564 1238.031       204.1315 184.3705 36.42234 195.3282 18.02257 -10.95778      40.63742 
1 1 1 17  39 9  f 78.27965 27.85654 222.0959       160.8854 -89.36134      370.5935 294.4279       178.5927 70.60167 33.45959 87.57901 29.43712 -16.97734      44.56555 
1 1 1 17  39 10 o 58.68690 24.10090 77.90153       132.9263 -20.96161      370.5219 92.50523       142.4059 73.11756 34.28103 61.34552 25.04040 11.77204       42.45245 
1 1 1 17  39 11 o 73.48393 34.07704 20.77911       350.3611 20.77911       350.3611 0.000000       0.000000 73.48393 34.07704 ?        ?        0.000000       34.07704 
1 1 1 17  39 12 o 68.52976 32.92179 -171.1211      385.2350 -171.1211      385.2350 0.000000       0.000000 68.52976 32.92179 ?        ?        0.000000       32.92179 
1 1 1 17  39 13 o 75.41297 35.42025 13.06149       398.5968 13.06149       398.5968 0.000000       0.000000 75.41297 35.42025 ?        ?        0.000000       35.42025 
1 1 1 17  39 14 o 93.05383 39.35865 398.5265       370.1271 398.5265       370.1271 0.000000       0.000000 93.05383 39.35865 ?        ?        0.000000       39.35865 
1 1 1 17  39 15 f 63.30581 31.10896 -374.8696      400.7919 -374.8696      400.7919 0.000000       0.000000 63.30581 31.10896 ?        ?        0.000000       31.10896 
1 1 1 17  39 16 o 125.8736 43.60952 860.3087       392.5009 860.3087       392.5009 0.000000       0.000000 125.8736 43.60952 ?        ?        0.000000       43.60952 
1 1 1 17  39 17 o 82.31359 36.87887 218.5137       367.4010 218.5137       367.4010 0.000000       0.000000 82.31359 36.87887 ?        ?        0.000000       36.87887 
1 1 1 17  39 18 o 110.8519 39.72089 621.3345       327.6822 621.3345       327.6822 0.000000       0.000000 110.8519 39.72089 ?        ?        0.000000       39.72089 
1 1 1 17  40 0  o 120.0994 25.45916 522.0156       173.7488 1280.813       386.0612 329.2839       194.5673 169.0106 39.63872 91.01731 30.72590 77.99326       50.15286 
1 1 1 17  40 1  o 88.44294 28.93968 301.5822       172.9103 -76.52698      380.4548 400.0141       194.1165 71.29267 33.82058 100.3656 30.38115 -29.07295      45.46258 
1 1 1 17  40 2  o 70.40575 27.57468 158.9553       165.5576 69.01780       370.2736 181.4282       185.0895 76.44387 35.30269 73.78709 29.07825 2.656776       45.73647 
1 1 1 17  40 3  o 126.6117 23.67493 563.7894       169.3363 791.0923       364.5973 501.2718       191.2107 125.1006 42.06017 114.7361 28.53504 10.36448       50.82624 
1 1 1 17  40 4  o 79.68070 28.23751 234.7698       165.1623 274.1302       352.1145 223.6671       187.0113 86.13534 37.43442 78.47527 29.67248 7.660065       47.76810 
1 1 1 17  40 5  o 148.0329 20.79651 739.6414       175.5788 965.4370       405.4885 687.5369       194.7864 135.4395 44.31720 138.9860 24.80683 -3.546509      50.78772 
1 1 1 17  40 6  o 90.47369 29.81887 320.7942       183.4422 -439.1833      395.8104 528.6880       207.0178 61.80645 30.47716 116.2296 30.12492 -54.42319      42.85286 
1 1 1 17  40 7  o 58.83762 25.97333 28.20573       175.5035 -152.2234      376.6187 78.25505       198.3571 68.35306 32.76177 65.14110 28.20442 3.211960       43.22989 
1 1 1 17  40 8  f 53.13729 24.28964 -38.02847      169.2119 -209.6053      368.1680 7.921113       190.5275 65.78837 31.75075 59.02160 26.49148 6.766766       41.35104 
1 1 1 17  40 9  o 65.49120 26.19964 124.9819       152.4256 -251.6154      337.5616 221.4352       170.8335 61.86670 29.98886 77.67513 28.55647 -15.80843      41.41019 
1 1 1 17  40 10 o 80.57922 35.80967 197.3302       339.1162 197.3302       339.1162 0.000000       0.000000 80.57922 35.80967 ?        ?        0.000000       35.80967 
1 1 1 17  40 11 o 79.44081 36.54360 140.2776       391.2849 140.2776       391.2849 0.000000       0.000000 79.44081 36.54360 ?        ?        0.000000       36.54360 
1 1 1 17  40 12 o 75.34074 35.15071 52.93843       381.7307 52.93843       381.7307 0.000000       0.000000 75.34074 35.15071 ?        ?        0.000000       35.15071 
1 1 1 17  40 13 o 62.66908 30.58183 -293.5382      367.3849 -293.5382      367.3849 0.000000       0.000000 62.66908 30.58183 ?        ?        0.000000       30.58183 
1 1 1 17  40 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 17  40 15 o 109.0017 43.21281 684.6223       410.9969 684.6223       410.9969 0.000000       0.000000 109.0017 43.21281 ?        ?        0.000000       43.21281 
1 1 1 17  41 0  o 53.20567 25.33991 -148.4947      217.8142 -385.2341      369.1714 -22.07575      269.7733 60.40391 29.71725 64.68668 29.96437 -4.282776      42.20164 
1 1 1 17  41 1  o 68.36858 27.54628 143.0529       169.7676 328.6808       383.6738 97.86128       189.3082 88.28622 38.70752 65.50112 27.94275 22.78510       47.73960 
1 1 1 17  41 2  o 83.94140 29.33017 274.5005       177.7384 388.8033       393.8224 245.2634       199.1770 91.61890 39.70484 80.25552 30.55803 11.36337       50.10257 
1 1 1 17  41 3  o 101.4365 29.89406 411.3724       189.8849 634.2227       403.4432 347.9587       215.2123 106.6702 42.64081 91.41598 32.24825 15.25420       53.46203 
1 1 1 17  41 4  o 185.6698 19.48530 1150.031       209.0197 1065.057       448.2071 1173.647       236.2866 134.6258 46.60360 184.2475 22.32152 -49.62169      51.67345 
1 1 1 17  41 5  o 46.09201 22.02272 -148.3440      167.3040 -124.0999      432.3174 -152.6144      181.4414 71.71781 34.56074 48.03478 22.94642 23.68303       41.48473 
1 1 1 17  41 6  o 106.4416 28.60901 442.0482       182.4101 -154.2571      414.2118 585.5147       203.1718 69.71339 33.65311 123.2248 28.65689 -53.51137      44.20124 
1 1 1 17  41 7  o 151.3632 21.40347 786.2850       184.7056 963.4747       446.7635 749.7551       202.8538 126.2497 46.21883 144.2712 24.87268 -18.02155      52.48648 
1 1 1 17  41 8  o 75.98920 27.62568 212.6418       159.2079 -542.3127      422.8766 337.3242       171.8525 60.76530 30.23083 92.56662 28.69388 -31.80132      41.68024 
1 1 1 17  41 9  o 48.47018 21.31726 7.044520       117.1954 299.2568       375.5943 -24.47413      123.3541 86.10590 38.00422 46.67696 21.10045 39.42894       43.46895 
1 1 1 17  41 10 o 86.93307 39.43622 300.2552       435.4295 300.2552       435.4295 0.000000       0.000000 86.93307 39.43622 ?        ?        0.000000       39.43622 
1 1 1 17  41 11 o 56.37132 28.40330 -824.3779      433.4124 -824.3779      433.4124 0.000000       0.000000 56.37132 28.40330 ?        ?        0.000000       28.40330 
1 1 1 17  41 12 o 70.15547 34.01178 -163.8666      434.6214 -163.8666      434.6214 0.000000       0.000000 70.15547 34.01178 ?        ?        0.000000       34.01178 
1 1 1 17  42 0  o 160.8912 41.80380 1276.050       397.9868 1276.050       397.9868 0.000000       0.000000 160.8912 41.80380 ?        ?        0.000000       41.80380 
1 1 1 17  42 1  o 102.1150 29.82962 421.8252       189.7824 302.1701       395.3492 457.6544       216.3384 85.73467 38.34516 103.7859 32.19798 -18.05118      50.07056 
1 1 1 17  42 2  o 60.63813 27.01854 35.47832       194.3477 -139.2458      423.2146 82.17088       218.7802 70.12868 33.89360 66.12528 29.10238 4.003403       44.67353 
1 1 1 17  42 3  o 119.8724 30.68102 580.9107       216.5769 605.2762       455.7926 573.8051       246.1391 100.8550 43.19948 114.4934 34.11002 -13.63840      55.04260 
1 1 1 17  42 4  o 79.86140 31.61329 245.9123       219.6593 73.06318       499.4167 287.3704       244.5876 79.65823 38.05760 83.81261 33.30066 -4.154381      50.56990 
1 1 1 17  42 5  o 115.1109 26.57595 498.6869       175.7843 311.6928       497.8106 525.3246       187.8881 87.37361 40.55312 116.9667 27.80091 -29.59309      49.16753 
1 1 1 17  42 6  o 71.64471 28.43872 174.7436       178.2175 -228.1697      504.9798 232.0672       190.4738 71.98285 35.28025 78.12842 29.85023 -6.145569      46.21398 
1 1 1 17  42 7  o 71.03857 28.20385 171.0646       175.3197 -29.40793      487.6598 200.8216       187.8814 76.02685 36.65456 74.60300 29.32815 1.423843       46.94355 
1 1 1 17  42 8  o 103.3056 24.02756 389.4309       142.8170 726.2347       451.6873 352.0193       150.5401 107.1572 44.25938 96.32022 26.03386 10.83701       51.34837 
1 1 1 18  0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0  1  o 460.0062 20.92382 6263.238       561.8210 6263.238       561.8210 6263.238       561.8210 460.0062 20.92382 460.0062 20.92382 0.000000       0.000000 
1 1 1 18  0  2  o 792.7393 27.96263 18603.64       1296.374 18603.64       1296.374 18603.64       1296.374 792.7393 27.96263 792.7393 27.96263 0.000000       0.000000 
1 1 1 18  0  3  o 77.15464 45.96544 193.1378       365.5031 193.1378       365.5031 193.1378       365.5031 77.15464 45.96544 77.15464 45.96544 0.000000       0.000000 
1 1 1 18  0  4  o 421.6068 21.62413 5272.447       531.4557 5272.447       531.4557 5272.447       531.4557 421.6068 21.62413 421.6068 21.62413 0.000000       0.000000 
1 1 1 18  0  5  o 59.20462 39.25212 -88.75678      359.4970 -88.75678      359.4970 -88.75678      359.4970 59.20462 39.25212 59.20462 39.25212 0.000000       0.000000 
1 1 1 18  0  6  o 214.7477 31.78097 1448.601       374.5474 1448.601       374.5474 1448.601       374.5474 214.7477 31.78097 214.7477 31.78097 0.000000       0.000000 
1 1 1 18  0  7  o 461.4278 22.07112 6313.461       594.1535 6313.461       594.1535 6313.461       594.1535 461.4278 22.07112 461.4278 22.07112 0.000000       0.000000 
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 o 207.0696 25.64587 1325.298       298.6071 1325.298       298.6071 1325.298       298.6071 207.0696 25.64587 207.0696 25.64587 0.000000       0.000000 
1 1 1 18  0  15 o 84.64964 43.95729 316.6696       282.8525 316.6696       282.8525 316.6696       282.8525 84.64964 43.95729 84.64964 43.95729 0.000000       0.000000 
1 1 1 18  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0  18 o 387.9440 14.93808 4451.903       338.7248 4451.903       338.7248 4451.903       338.7248 387.9440 14.93808 387.9440 14.93808 0.000000       0.000000 
1 1 1 18  0  19 o 42.61515 28.72415 -87.03097      207.0813 -87.03097      207.0813 -87.03097      207.0813 42.61515 28.72415 42.61515 28.72415 0.000000       0.000000 
1 1 1 18  0  20 o 76.05847 37.75642 257.0604       203.3938 257.0604       203.3938 257.0604       203.3938 76.05847 37.75642 76.05847 37.75642 0.000000       0.000000 
1 1 1 18  0  21 o 206.6175 17.96615 1288.546       213.7601 1288.546       213.7601 1288.546       213.7601 206.6175 17.96615 206.6175 17.96615 0.000000       0.000000 
1 1 1 18  0  22 o 891.2589 22.32681 23589.99       1165.372 23589.99       1165.372 23589.99       1165.372 891.2589 22.32681 891.2589 22.32681 0.000000       0.000000 
1 1 1 18  0  23 o 91.23405 39.40484 357.0480       216.9823 357.0480       216.9823 357.0480       216.9823 91.23405 39.40484 91.23405 39.40484 0.000000       0.000000 
1 1 1 18  0  24 o 328.0498 16.07029 3195.652       307.4823 3195.652       307.4823 3195.652       307.4823 328.0498 16.07029 328.0498 16.07029 0.000000       0.000000 
1 1 1 18  0  25 o 295.4527 16.75263 2599.987       288.1314 2599.987       288.1314 2599.987       288.1314 295.4527 16.75263 295.4527 16.75263 0.000000       0.000000 
1 1 1 18  0  26 o 46.62864 31.01253 -59.00216      227.3863 -59.00216      227.3863 -59.00216      227.3863 46.62864 31.01253 46.62864 31.01253 0.000000       0.000000 
1 1 1 18  0  27 o 698.5247 18.26050 14460.76       746.9192 14460.76       746.9192 14460.76       746.9192 698.5247 18.26050 698.5247 18.26050 0.000000       0.000000 
1 1 1 18  0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  0  29 o 63.75040 37.51097 150.8673       238.0242 150.8673       238.0242 150.8673       238.0242 63.75040 37.51097 63.75040 37.51097 0.000000       0.000000 
1 1 1 18  0  30 f 96.46208 40.72354 402.0298       232.5138 402.0298       232.5138 402.0298       232.5138 96.46208 40.72354 96.46208 40.72354 0.000000       0.000000 
1 1 1 18  0  31 o 319.7447 15.49676 3045.522       289.0365 3045.522       289.0365 3045.522       289.0365 319.7447 15.49676 319.7447 15.49676 0.000000       0.000000 
1 1 1 18  0  32 o 159.2633 28.09690 829.9723       238.0544 829.9723       238.0544 829.9723       238.0544 159.2633 28.09690 159.2633 28.09690 0.000000       0.000000 
1 1 1 18  0  33 o 36.43325 25.69599 -241.9487      218.8163 -241.9487      218.8163 -241.9487      218.8163 36.43325 25.69599 36.43325 25.69599 0.000000       0.000000 
1 1 1 18  0  34 o 32.76691 23.37426 -276.6778      199.9857 -276.6778      199.9857 -276.6778      199.9857 32.76691 23.37426 32.76691 23.37426 0.000000       0.000000 
1 1 1 18  0  35 o 28.09957 20.42079 -387.5871      189.0114 -387.5871      189.0114 -387.5871      189.0114 28.09957 20.42079 28.09957 20.42079 0.000000       0.000000 
1 1 1 18  0  36 o 60.69629 33.25672 169.0577       169.6582 169.0577       169.6582 169.0577       169.6582 60.69629 33.25672 60.69629 33.25672 0.000000       0.000000 
1 1 1 18  0  37 f 183.9748 19.59791 1055.852       205.4189 1055.852       205.4189 1055.852       205.4189 183.9748 19.59791 183.9748 19.59791 0.000000       0.000000 
1 1 1 18  0  38 o 66.30584 34.20532 211.1316       170.5084 211.1316       170.5084 211.1316       170.5084 66.30584 34.20532 66.30584 34.20532 0.000000       0.000000 
1 1 1 18  0  39 o 36.50156 24.92550 -80.10640      166.5693 -80.10640      166.5693 -80.10640      166.5693 36.50156 24.92550 36.50156 24.92550 0.000000       0.000000 
1 1 1 18  0  40 o 34.92274 24.18580 -116.3062      170.3004 -116.3062      170.3004 -116.3062      170.3004 34.92274 24.18580 34.92274 24.18580 0.000000       0.000000 
1 1 1 18  0  41 o 53.38735 32.59745 108.5848       193.2836 108.5848       193.2836 108.5848       193.2836 53.38735 32.59745 53.38735 32.59745 0.000000       0.000000 
1 1 1 18  0  42 o 36.81382 25.67637 -150.6840      201.1101 -150.6840      201.1101 -150.6840      201.1101 36.81382 25.67637 36.81382 25.67637 0.000000       0.000000 
1 1 1 18  0  43 o 118.9599 37.41051 580.8591       229.1766 580.8591       229.1766 580.8591       229.1766 118.9599 37.41051 118.9599 37.41051 0.000000       0.000000 
1 1 1 18  0  44 o 67.99018 37.96618 243.6441       225.9246 243.6441       225.9246 243.6441       225.9246 67.99018 37.96618 67.99018 37.96618 0.000000       0.000000 
1 1 1 18  0  45 o 106.1292 40.79288 521.0584       240.1766 521.0584       240.1766 521.0584       240.1766 106.1292 40.79288 106.1292 40.79288 0.000000       0.000000 
1 1 1 18  1  0  o 914.2695 21.93641 24683.49       1176.225 22932.67       1571.808 26911.72       1773.209 877.8596 30.57647 950.4706 31.85554 -72.61096      44.15536 
1 1 1 18  1  1  o 423.9742 15.15966 5295.593       376.3394 5488.548       532.5018 5103.039       531.9472 430.7080 21.14546 415.1285 21.92696 15.57953       30.46181 
1 1 1 18  1  2  o 679.1756 17.59497 13598.18       700.2534 13384.43       975.0257 13825.88       1006.332 672.0720 24.77958 682.9680 25.16713 -10.89600      35.31872 
1 1 1 18  1  3  o 311.7069 16.77136 2869.614       305.4661 2873.173       418.3721 2865.550       447.0401 310.9091 23.10976 310.1833 24.78001 0.7258606      33.88377 
1 1 1 18  1  4  o 390.7418 15.59619 4501.507       356.6855 4591.555       496.7754 4405.688       512.4485 393.6676 21.59967 385.3707 22.77519 8.296967       31.38877 
1 1 1 18  1  5  o 364.2260 15.58396 3912.786       332.1195 4018.645       460.5544 3798.093       479.3874 368.1918 21.42080 357.6167 22.97855 10.57513       31.41440 
1 1 1 18  1  6  o 225.9714 20.82720 1521.086       272.9129 1704.634       376.6298 1318.158       396.0137 238.0373 27.48264 207.4894 33.69861 30.54788       43.48438 
1 1 1 18  1  7  o 431.9610 21.47037 5530.572       542.2147 5530.572       542.2147 0.000000       0.000000 431.9610 21.47037 ?        ?        0.000000       21.47037 
1 1 1 18  1  8  o 1019.063 34.72871 31189.16       2072.550 31189.16       2072.550 0.000000       0.000000 1019.063 34.72871 ?        ?        0.000000       34.72871 
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 o 872.2562 22.46359 22608.89       1148.186 22608.89       1148.186 0.000000       0.000000 872.2562 22.46359 ?        ?        0.000000       22.46359 
1 1 1 18  1  13 f 628.9307 12.68930 11650.17       468.0488 11333.00       644.6265 12003.80       680.6866 618.7581 17.78228 636.6638 18.24883 -17.90564      25.47997 
1 1 1 18  1  14 o 257.4282 15.12141 1963.023       227.2909 2239.064       331.2263 1717.363       312.4688 273.8239 20.78059 239.1993 22.53960 34.62462       30.65724 
1 1 1 18  1  15 o 451.0375 16.22171 6023.167       428.4026 0.000000       0.000000 6023.167       428.4026 ?        ?        451.0375 16.22171 0.000000       16.22171 
1 1 1 18  1  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  1  17 o 47.38066 22.87151 -294.4088      191.2796 36.72688       267.5791 -640.4614      273.5396 79.60913 33.55773 49.65841 24.63867 29.95072       41.63154 
1 1 1 18  1  18 o 162.3965 27.22455 815.2637       250.1230 815.2637       250.1230 0.000000       0.000000 162.3965 27.22455 ?        ?        0.000000       27.22455 
1 1 1 18  1  19 o 105.5269 25.01952 347.9724       152.4746 275.6911       215.0571 421.0314       216.2109 96.93736 32.29831 115.5389 31.18749 -18.60157      44.89812 
1 1 1 18  1  20 o 182.5307 14.41838 991.6697       153.0960 827.9595       204.2820 1201.430       231.2354 165.0689 21.62078 199.7586 20.00675 -34.68970      29.45722 
1 1 1 18  1  21 f 291.5243 10.26018 2506.667       175.1470 2437.394       237.2851 2589.587       259.6079 286.7101 14.15539 295.3401 15.03754 -8.630035      20.65194 
1 1 1 18  1  22 f 424.7970 10.11980 5315.233       252.1181 5314.840       352.8712 5315.644       360.3441 423.6302 14.22312 423.5724 14.52722 0.5783081E-01  20.33070 
1 1 1 18  1  23 o 64.78870 26.20319 58.98348       154.2629 4.954298       217.9351 113.2369       218.3869 69.88219 29.90082 79.39825 31.49237 -9.516060      43.42612 
1 1 1 18  1  24 o 288.5541 12.15468 2461.314       205.2332 2541.729       294.1102 2384.994       286.5256 292.0675 17.24701 282.8596 17.35554 9.207947       24.46782 
1 1 1 18  1  25 o 128.7667 24.19974 513.8713       176.0453 577.2906       244.7814 445.9225       253.3722 134.8371 31.52192 118.7603 34.40187 16.07679       46.65962 
1 1 1 18  1  26 o 254.4649 12.33836 1916.877       183.5859 1965.972       264.1795 1871.024       255.3072 256.4547 17.67264 250.2007 17.50951 6.254028       24.87780 
1 1 1 18  1  27 f 204.9036 14.20875 1249.842       169.6905 1106.215       234.4309 1407.918       245.9398 190.8945 21.30235 216.1362 19.61560 -25.24176      28.95793 
1 1 1 18  1  28 o 313.0860 11.18726 2898.865       205.0876 2891.051       290.5913 2906.620       289.4873 311.3070 15.96970 312.1814 15.86346 -0.8743286     22.50957 
1 1 1 18  1  29 o 94.14465 27.57058 278.5140       161.9485 596.0335       238.8813 8.458563       220.3045 136.0996 30.66541 69.83961 29.97627 66.25996       42.88292 
1 1 1 18  1  30 o 228.4932 12.49997 1551.990       166.8689 1584.661       244.8393 1523.651       228.0326 229.1194 18.37478 224.9651 17.41909 4.154282       25.31911 
1 1 1 18  1  31 o 147.1352 18.72530 660.9326       157.9274 628.2808       239.7737 685.9513       209.8849 139.3703 30.20800 147.7432 25.12114 -8.372925      39.28862 
1 1 1 18  1  32 o 437.4077 10.66606 5664.204       273.6156 5726.435       403.5924 5611.274       372.2117 437.0830 15.77033 433.2951 14.66838 3.787903       21.53752 
1 1 1 18  1  33 o 98.42239 26.59328 314.0741       157.1103 439.5452       241.6873 222.2518       206.7550 114.5922 33.71420 87.53326 31.52847 27.05891       46.15942 
1 1 1 18  1  34 o 146.0652 16.81814 654.0783       141.4439 530.2052       189.2037 811.0125       212.9608 127.4779 26.18407 159.8597 23.40841 -32.38186      35.12207 
1 1 1 18  1  35 o 61.23611 24.62774 70.24689       135.4333 -2.470810      190.0837 145.2233       193.0132 62.48863 27.32480 76.37617 29.81414 -13.88754      40.44165 
1 1 1 18  1  36 f 198.7088 12.60260 1190.552       146.1115 1202.406       203.7022 1177.990       209.6936 197.0493 17.81905 194.5670 18.60288 2.482330       25.76016 
1 1 1 18  1  37 o 138.7748 15.99722 595.4949       127.8186 567.3455       177.4061 625.8803       184.3177 131.4544 23.89115 138.4132 23.54844 -6.958832      33.54573 
1 1 1 18  1  38 o 123.3357 18.04883 480.9708       126.6895 382.6497       194.4555 553.4838       166.9953 103.9150 30.14861 129.8929 22.74999 -25.97789      37.76904 
1 1 1 18  1  39 o 41.50377 19.36195 -88.85455      115.7748 -39.96305      164.2516 -137.1303      163.2141 54.29251 24.46347 47.77563 22.50961 6.516880       33.24371 
1 1 1 18  1  40 o 49.75213 21.59847 5.192297       116.9495 -3.390712      168.2016 13.22478       162.7178 57.43995 25.38862 58.00279 25.32404 -0.5628471     35.85929 
1 1 1 18  1  41 o 216.0520 11.82862 1418.099       149.3079 1376.057       218.1706 1455.136       204.7722 208.1076 18.05392 215.5388 16.32054 -7.431198      24.33730 
1 1 1 18  1  42 o 48.65014 22.32245 -61.90083      144.7216 2.288667       210.3755 -119.5672      199.3998 62.61337 27.99016 53.77501 25.19178 8.838367       37.65734 
1 1 1 18  1  43 o 123.1692 21.89554 510.9194       152.3684 537.3967       219.1489 486.1432       211.9922 118.7271 31.10588 112.7627 31.06596 5.964386       43.96214 
1 1 1 18  1  44 o 66.96674 27.64557 108.8987       176.1105 92.49035       230.4547 131.9318       273.0420 70.26388 30.41169 76.11375 33.02251 -5.849869      44.89273 
1 1 1 18  1  45 o 61.23399 26.80002 38.32136       183.2111 24.81212       262.0409 51.24062       256.2551 68.19472 30.79770 69.28087 30.93677 -1.086151      43.65297 
1 1 1 18  2  0  f 1026.978 24.41332 31199.97       1470.410 0.000000       0.000000 31199.97       1470.410 ?        ?        1026.978 24.41332 0.000000       24.41332 
1 1 1 18  2  1  o 463.5742 14.84813 6328.875       403.1634 6256.716       545.7523 6415.558       598.1636 460.0677 20.27642 465.5613 21.96946 -5.493591      29.89633 
1 1 1 18  2  2  o 791.5012 19.56853 18477.54       908.3647 18386.44       1274.203 18571.69       1295.301 786.8125 27.65620 790.6542 27.97813 -3.841675      39.34007 
1 1 1 18  2  3  o 548.9509 15.72521 8877.915       505.7463 8905.819       701.7838 8847.765       729.4869 548.6298 21.85462 546.6193 22.80537 2.010559       31.58654 
1 1 1 18  2  4  o 410.8789 15.08754 4975.264       362.9481 4795.382       484.0015 5206.385       548.6230 402.5062 20.57152 419.0894 22.40257 -16.58319      30.41484 
1 1 1 18  2  5  f 554.5151 16.22653 9064.146       527.1353 8965.505       734.1766 9169.106       757.3262 550.0845 22.80676 556.1893 23.26860 -6.104797      32.58184 
1 1 1 18  2  6  o 667.2475 25.02332 13216.71       977.4898 13216.71       977.4898 0.000000       0.000000 667.2475 25.02332 ?        ?        0.000000       25.02332 
1 1 1 18  2  7  o 247.1120 28.11424 1838.920       400.2104 1838.920       400.2104 0.000000       0.000000 247.1120 28.11424 ?        ?        0.000000       28.11424 
1 1 1 18  2  8  o 797.2326 28.20269 18947.46       1316.563 18947.46       1316.563 0.000000       0.000000 797.2326 28.20269 ?        ?        0.000000       28.20269 
1 1 1 18  2  9  o 317.6288 26.30797 3020.080       485.6778 3020.080       485.6778 0.000000       0.000000 317.6288 26.30797 ?        ?        0.000000       26.30797 
1 1 1 18  2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  2  12 o 1035.257 26.06433 31991.93       1581.248 31991.93       1581.248 0.000000       0.000000 1035.257 26.06433 ?        ?        0.000000       26.06433 
1 1 1 18  2  13 o 1073.429 18.74426 34116.16       1180.028 34405.21       1692.073 33842.48       1646.484 1072.183 26.93045 1064.111 26.38274 8.071655       37.70010 
1 1 1 18  2  14 o 309.2370 13.98709 2826.237       253.0134 2812.755       364.9546 2838.714       351.0788 307.1583 20.37454 308.7934 19.48525 -1.635162      28.19214 
1 1 1 18  2  15 o 470.4080 11.54977 6516.764       318.6388 6167.295       439.2594 6904.891       462.9175 456.3329 16.43990 482.9034 16.36896 -26.57043      23.19942 
1 1 1 18  2  16 o 411.0567 11.74708 4982.248       282.9022 4657.617       388.7190 5347.830       412.5083 396.2885 16.76316 424.7324 16.59216 -28.44391      23.58608 
1 1 1 18  2  17 o 214.7498 16.49299 1373.573       206.1322 1435.839       293.9347 1313.316       289.1541 217.9453 23.36007 208.1220 24.13682 9.823303       33.58987 
1 1 1 18  2  18 o 364.8964 11.29433 3927.735       241.4112 3595.687       311.2225 4429.330       382.5137 348.2513 15.27515 386.1201 16.93290 -37.86884      22.80468 
1 1 1 18  2  19 o 250.7812 12.42188 1860.507       182.1290 1642.851       245.0477 2129.129       272.2300 234.4681 17.95700 267.2182 17.46653 -32.75003      25.05062 
1 1 1 18  2  20 o 82.62495 26.99563 200.2793       150.4859 152.4289       206.9178 254.0063       219.2560 82.01074 31.16513 94.54168 32.60151 -12.53094      45.10126 
1 1 1 18  2  21 o 63.64297 25.83991 54.02582       150.6832 94.94260       213.0305 13.05706       213.1658 76.94316 30.90737 69.77978 29.70585 7.163383       42.86844 
1 1 1 18  2  22 o 740.8126 13.52841 16221.62       587.7675 16642.72       852.9040 15840.76       811.1263 746.9503 19.48628 729.0323 18.98720 17.91797       27.20715 
1 1 1 18  2  23 o 207.9114 14.97984 1286.257       181.4324 1241.537       255.1214 1332.018       258.0724 202.6024 21.81433 210.0933 21.23616 -7.490967      30.44404 
1 1 1 18  2  24 o 444.0873 11.04174 5813.266       287.5785 6086.666       419.7691 5571.455       394.7754 452.9036 15.82786 433.3752 15.55753 19.52841       22.19365 
1 1 1 18  2  25 o 126.6164 26.05590 500.7535       187.0289 390.0165       248.5976 645.1763       283.9020 111.9815 34.47664 141.9526 34.45400 -29.97110      48.74133 
1 1 1 18  2  26 o 198.1410 15.26356 1170.693       176.0041 1473.567       262.9326 924.8018       236.9109 221.0674 20.51408 173.7536 23.87976 47.31381       31.48127 
1 1 1 18  2  27 o 440.8171 10.48468 5730.924       271.0591 5793.329       390.6046 5672.958       376.4576 441.6087 15.10390 437.1385 14.70501 4.470215       21.07996 
1 1 1 18  2  28 o 235.2086 12.79215 1642.499       175.7963 1886.520       276.1943 1476.313       227.9277 250.3543 18.95164 221.6958 17.67658 28.65851       25.91575 
1 1 1 18  2  29 o 125.0258 23.00613 487.4533       162.4775 454.3481       250.6410 511.4482       213.3849 118.4421 34.18786 126.2714 29.37033 -7.829315      45.07135 
1 1 1 18  2  30 o 149.2960 18.90632 679.5978       161.8347 523.8688       243.1036 803.5345       216.8734 126.7253 32.54283 160.9200 23.68777 -34.19474      40.25104 
1 1 1 18  2  31 o 43.34395 20.98540 -256.6064      164.0486 -99.17664      264.3634 -355.1902      209.1995 68.66209 30.97822 47.62090 23.20281 21.04119       38.70427 
1 1 1 18  2  32 o 216.8785 14.27247 1408.862       180.5284 1246.417       289.5899 1512.119       230.8819 199.4833 25.32276 223.4593 17.76344 -23.97603      30.93189 
1 1 1 18  2  33 o 126.8520 20.63718 502.5878       148.2592 429.5811       224.0814 559.4297       197.7238 113.5136 32.18613 131.6371 26.52877 -18.12353      41.70998 
1 1 1 18  2  34 o 43.01548 20.45665 -161.4479      140.9023 -286.8862      211.8794 -61.98932      188.6664 50.12229 24.16420 58.31446 26.25216 -8.192173      35.68031 
1 1 1 18  2  35 o 129.0011 19.26972 522.4717       141.3250 592.4936       186.7213 428.5609       216.2395 135.0077 24.48358 111.4239 31.62612 23.58383       39.99571 
1 1 1 18  2  36 f 87.26551 24.58440 251.8915       131.1662 175.5350       190.5725 320.6228       180.8066 78.89481 29.92568 97.01248 29.31147 -18.11767      41.88924 
1 1 1 18  2  37 o 210.4780 11.58565 1332.042       142.4621 1175.722       202.0977 1486.440       200.8516 194.3722 17.93068 220.1762 15.65659 -25.80396      23.80416 
1 1 1 18  2  38 o 230.7871 10.36138 1596.186       139.8848 1740.083       210.1343 1481.672       187.4563 238.1442 15.12362 220.0123 14.61067 18.13187       21.02845 
1 1 1 18  2  39 o 62.77458 24.12511 102.8893       124.9078 248.0510       185.7990 -16.81952      168.7254 85.43395 29.97792 56.73909 25.23443 28.69486       39.18485 
1 1 1 18  2  40 o 99.99630 21.49475 332.6649       122.3040 634.3778       193.2223 130.9765       157.9795 136.5668 25.04745 69.23464 26.98831 67.33215       36.82042 
1 1 1 18  2  41 o 44.31440 20.70276 -95.87141      133.1369 -165.2397      203.2253 -43.71542      176.2176 52.27470 24.77512 55.28688 25.08322 -3.012180      35.25584 
1 1 1 18  2  42 o 149.0314 16.87094 705.3814       144.8675 660.6882       210.9270 745.2884       199.3130 136.2225 27.35284 148.0194 23.76371 -11.79694      36.23385 
1 1 1 18  2  43 o 47.13935 21.97508 -92.24227      148.7010 -91.96632      216.1879 -92.49006      204.8591 57.31982 26.64517 55.79443 25.93662 1.525391       37.18431 
1 1 1 18  2  44 o 207.6314 14.44224 1343.425       174.7682 1268.179       231.0364 1444.079       267.2101 196.1465 20.38074 207.1625 22.34648 -11.01601      30.24467 
1 1 1 18  2  45 o 110.2849 28.12281 453.1646       182.4337 798.3322       246.8712 37.88927       270.7843 145.8501 29.86706 69.65449 31.39571 76.19561       43.33280 
1 1 1 18  3  0  o 867.4642 17.18803 22164.74       874.4364 22497.77       1520.253 22000.08       1068.969 869.5689 29.85423 863.2579 21.11416 6.310974       36.56614 
1 1 1 18  3  1  o 219.4624 20.82319 1434.204       264.8077 1463.824       342.8656 1390.416       416.8799 220.6002 27.06796 213.2563 34.51003 7.343933       43.85905 
1 1 1 18  3  2  o 271.0836 17.26408 2173.538       273.0453 2167.634       349.7674 2182.748       436.8928 269.9440 22.29155 269.7901 28.01964 0.1539307      35.80521 
1 1 1 18  3  3  o 251.1052 18.29170 1868.535       267.5295 1887.884       337.5710 1835.860       438.6775 251.6273 23.13348 246.4773 31.03356 5.150040       38.70710 
1 1 1 18  3  4  o 499.0883 15.44135 7339.884       451.4299 7204.612       606.9378 7507.377       675.3672 493.4407 21.02107 503.2928 22.94100 -9.852020      31.11551 
1 1 1 18  3  5  o 275.4151 17.94941 2245.938       288.3474 2053.471       373.3506 2530.444       453.9261 262.1596 24.56918 290.7561 26.92569 -28.59650      36.45047 
1 1 1 18  3  6  o 607.9042 23.22838 10956.57       826.6177 10956.57       826.6177 0.000000       0.000000 607.9042 23.22838 ?        ?        0.000000       23.22838 
1 1 1 18  3  7  o 165.3114 35.75185 850.6063       336.5161 850.6063       336.5161 0.000000       0.000000 165.3114 35.75185 ?        ?        0.000000       35.75185 
1 1 1 18  3  8  o 98.42868 40.35381 113.2465       371.8625 113.2465       371.8625 0.000000       0.000000 98.42868 40.35381 ?        ?        0.000000       40.35381 
1 1 1 18  3  9  o 117.4690 42.43621 358.8090       374.8970 358.8090       374.8970 0.000000       0.000000 117.4690 42.43621 ?        ?        0.000000       42.43621 
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  3  13 o 827.5707 21.45943 20356.31       1040.656 0.000000       0.000000 20356.31       1040.656 ?        ?        827.5707 21.45943 0.000000       21.45943 
1 1 1 18  3  14 o 597.2280 12.35576 10507.85       432.7732 10269.27       599.6389 10767.23       625.2302 588.8282 17.38307 602.8362 17.70357 -14.00800      24.81103 
1 1 1 18  3  15 o 723.7162 13.67113 15452.54       580.2608 15186.06       811.7057 15731.04       829.8195 715.0129 19.37469 727.6969 19.46134 -12.68402      27.46128 
1 1 1 18  3  16 o 497.2161 16.46281 7325.606       479.4026 0.000000       0.000000 7325.606       479.4026 ?        ?        497.2161 16.46281 0.000000       16.46281 
1 1 1 18  3  17 o 338.7610 12.69388 3389.891       251.7500 3483.820       360.4763 3300.460       351.7408 342.1728 18.02667 333.0080 18.07795 9.164734       25.52985 
1 1 1 18  3  18 o 278.8033 12.22287 2297.253       199.3723 2030.450       263.3026 2655.794       305.2310 261.0375 17.29649 298.6349 17.50435 -37.59741      24.60835 
1 1 1 18  3  19 o 297.8745 11.34261 2619.640       197.7892 2645.840       280.5658 2593.756       278.8743 298.3444 16.09448 295.3687 16.16037 2.975769       22.80767 
1 1 1 18  3  20 o 475.3080 10.54445 6656.732       293.9337 6688.342       410.7334 6623.551       420.8201 475.1205 14.75818 472.6636 15.20053 2.456879       21.18632 
1 1 1 18  3  21 o 351.8219 14.61691 3669.859       300.9415 3669.859       300.9415 0.000000       0.000000 351.8219 14.61691 ?        ?        0.000000       14.61691 
1 1 1 18  3  22 o 331.0191 10.97985 3233.518       212.8623 3429.541       297.7785 3028.686       304.3960 340.0066 14.96999 319.1266 16.31810 20.88004       22.14455 
1 1 1 18  3  23 f 656.6614 12.66658 12731.89       487.8107 14055.59       761.6249 11811.19       635.1957 686.8073 18.92648 630.4274 17.19601 56.37988       25.57175 
1 1 1 18  3  24 o 370.9847 15.87079 4086.765       344.5087 4086.765       344.5087 0.000000       0.000000 370.9847 15.87079 ?        ?        0.000000       15.87079 
1 1 1 18  3  25 o 39.00547 19.39570 -424.4590      173.2063 -144.2791      243.4689 -711.5649      246.4597 63.87803 29.17520 43.69643 21.93662 20.18160       36.50216 
1 1 1 18  3  26 o 78.39708 28.08887 162.6038       163.8598 239.8840       242.6463 97.81593       222.1706 94.46603 34.13842 78.22112 31.51353 16.24492       46.46003 
1 1 1 18  3  27 f 216.3416 13.38405 1390.548       168.9843 1378.058       254.2634 1400.429       226.1579 213.4970 20.56078 215.9836 18.01820 -2.486542      27.33864 
1 1 1 18  3  28 o 312.8258 10.85981 2893.100       198.9373 2922.818       295.7189 2868.533       268.8729 312.8966 16.16976 310.4135 14.81190 2.483154       21.92837 
1 1 1 18  3  29 o 135.8934 21.06356 568.9645       162.4437 287.9185       243.7783 793.4277       217.8606 98.82726 34.36116 159.9769 23.95663 -61.14966      41.88806 
1 1 1 18  3  30 o 286.4521 10.99234 2429.977       184.3257 2605.421       281.4486 2298.208       243.9138 294.9089 16.33657 277.3740 15.05047 17.53488       22.21261 
1 1 1 18  3  31 o 45.36193 21.19005 -125.4020      139.4217 -128.1645      214.5989 -123.3843      183.4006 59.32452 27.20623 54.20130 24.96419 5.123219       36.92411 
1 1 1 18  3  32 o 217.3223 18.21029 1433.428       229.9658 0.000000       0.000000 1433.428       229.9658 ?        ?        217.3223 18.21029 0.000000       18.21029 
1 1 1 18  3  33 o 71.47375 26.12182 137.2772       142.6166 61.03310       226.9290 187.0493       183.3497 73.67712 30.97154 81.54028 29.64594 -7.863167      42.87328 
1 1 1 18  3  34 o 112.7406 22.08361 406.1167       140.7903 474.7751       200.7127 339.6114       197.5404 119.1834 28.99567 100.9014 30.66972 18.28203       42.20640 
1 1 1 18  3  35 o 40.05288 19.33365 -195.9371      136.6543 -247.6036      202.2194 -152.5116      185.3919 49.86883 23.92970 51.72972 24.25195 -1.860893      34.07033 
1 1 1 18  3  36 o 215.1134 11.81729 1390.385       148.5130 1564.433       228.9504 1263.950       195.1369 225.0883 17.48048 202.7318 16.55626 22.35648       24.07648 
1 1 1 18  3  37 o 234.5749 10.99729 1649.910       150.8714 1775.894       223.1116 1543.765       204.7923 240.5445 15.90451 224.3626 15.66204 16.18190       22.32158 
1 1 1 18  3  38 o 155.6451 14.62119 744.6329       131.9024 621.9725       184.4297 873.0671       188.7206 137.1156 23.79733 165.6112 19.82364 -28.49564      30.97240 
1 1 1 18  3  39 o 45.13435 20.73038 -67.01701      125.2491 -156.1771      189.5083 2.135603       166.8966 51.15754 24.14938 57.95371 25.46522 -6.796173      35.09515 
1 1 1 18  3  40 f 165.2699 14.61273 844.3057       140.1788 861.9076       217.9117 831.8798       183.0898 160.5366 23.87020 160.6777 19.85105 -0.1411591     31.04594 
1 1 1 18  3  41 o 182.5815 12.82495 1020.480       136.4557 989.4614       205.0471 1045.138       182.8156 174.3262 20.44381 181.6765 17.36912 -7.350327      26.82603 
1 1 1 18  3  42 o 119.8212 20.22134 473.6610       137.0475 138.5524       200.0415 770.0652       188.1349 72.44800 29.63777 152.1694 21.69464 -79.72141      36.72948 
1 1 1 18  3  43 o 136.2788 20.45474 614.2238       158.4412 345.6455       230.9129 853.1667       217.8010 94.16755 33.38671 157.4961 24.36569 -63.32859      41.33231 
1 1 1 18  3  44 o 47.14393 22.24896 -123.2747      160.6644 -243.7472      241.1238 -27.07949      215.4630 53.27823 25.70865 60.65011 27.60247 -7.371876      37.72044 
1 1 1 18  3  45 o 73.93367 28.32670 180.4372       171.8443 19.73458       238.6719 353.4213       247.6242 65.68196 29.55150 93.36830 34.37134 -27.68634      45.32858 
1 1 1 18  4  0  o 370.2499 12.41715 4034.060       269.2480 4171.499       426.8954 3943.272       346.9615 375.5635 19.44775 365.5979 16.22221 9.965637       25.32538 
1 1 1 18  4  1  o 644.5536 13.86275 12219.61       524.0334 12572.54       903.5514 12040.73       643.2720 651.4838 23.68767 639.0725 17.17861 12.41125       29.26107 
1 1 1 18  4  2  o 134.0230 29.99495 554.9402       229.8700 515.7762       293.1683 617.4468       370.3705 129.5380 36.84352 141.8214 41.73805 -12.28340      55.67324 
1 1 1 18  4  3  o 95.49335 33.31761 244.1104       229.3021 212.4626       283.3936 304.1130       390.2149 97.26025 36.58144 114.5798 42.96158 -17.31956      56.42605 
1 1 1 18  4  4  o 426.2213 14.98198 5353.999       373.9203 5285.589       499.6634 5441.073       563.7185 422.6145 20.21827 428.3333 22.51947 -5.718811      30.26393 
1 1 1 18  4  5  o 298.6841 21.40353 2650.368       372.4427 2650.368       372.4427 0.000000       0.000000 298.6841 21.40353 ?        ?        0.000000       21.40353 
1 1 1 18  4  6  o 218.3486 26.82235 1436.867       336.2691 1436.867       336.2691 0.000000       0.000000 218.3486 26.82235 ?        ?        0.000000       26.82235 
1 1 1 18  4  7  o 418.8030 21.41162 5201.877       524.1627 5201.877       524.1627 0.000000       0.000000 418.8030 21.41162 ?        ?        0.000000       21.41162 
1 1 1 18  4  8  o 346.6503 22.19310 3573.104       448.8208 3573.104       448.8208 0.000000       0.000000 346.6503 22.19310 ?        ?        0.000000       22.19310 
1 1 1 18  4  9  o 105.0563 40.32701 235.3705       348.7312 235.3705       348.7312 0.000000       0.000000 105.0563 40.32701 ?        ?        0.000000       40.32701 
1 1 1 18  4  10 o 506.4205 21.52143 7613.795       637.7371 7613.795       637.7371 0.000000       0.000000 506.4205 21.52143 ?        ?        0.000000       21.52143 
1 1 1 18  4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  4  12 f 603.2896 18.46358 10779.54       652.5006 10779.54       652.5006 0.000000       0.000000 603.2896 18.46358 ?        ?        0.000000       18.46358 
1 1 1 18  4  13 o 444.0637 17.15109 5839.977       445.8310 5839.977       445.8310 0.000000       0.000000 444.0637 17.15109 ?        ?        0.000000       17.15109 
1 1 1 18  4  14 o 383.2779 17.80225 4359.258       399.0719 4359.258       399.0719 0.000000       0.000000 383.2779 17.80225 ?        ?        0.000000       17.80225 
1 1 1 18  4  15 o 381.4776 12.13168 4292.472       271.0740 3537.431       367.8906 5189.321       400.9526 344.9545 18.24964 418.5045 16.36743 -73.55002      24.51412 
1 1 1 18  4  16 o 491.5963 17.04223 7167.676       490.6008 7167.676       490.6008 0.000000       0.000000 491.5963 17.04223 ?        ?        0.000000       17.04223 
1 1 1 18  4  17 f 310.5804 12.50679 2849.751       227.3429 3080.880       333.3831 2648.844       310.8238 321.7662 17.73518 298.2534 17.85132 23.51282       25.16359 
1 1 1 18  4  18 o 448.0255 11.19728 5915.940       294.2158 5554.726       385.7658 6418.216       454.8957 432.9490 15.21641 464.9303 16.71015 -31.98129      22.60019 
1 1 1 18  4  19 f 260.8229 12.14528 2011.547       185.2720 1870.614       262.0959 2152.305       261.9326 250.2492 17.97797 268.8427 16.69510 -18.59352      24.53434 
1 1 1 18  4  20 o 368.7729 10.82424 4011.683       233.8497 3984.072       323.7010 4041.823       338.2022 366.4749 15.09315 368.9628 15.66508 -2.487976      21.75311 
1 1 1 18  4  21 o 461.0057 10.62787 6263.091       287.3447 6498.969       412.5123 6040.765       400.4879 468.2114 15.04210 451.3515 15.15095 16.85989       21.34985 
1 1 1 18  4  22 o 412.2346 15.26286 5040.510       368.3667 5040.510       368.3667 0.000000       0.000000 412.2346 15.26286 ?        ?        0.000000       15.26286 
1 1 1 18  4  23 o 184.6804 25.10204 1044.286       264.8506 1044.286       264.8506 0.000000       0.000000 184.6804 25.10204 ?        ?        0.000000       25.10204 
1 1 1 18  4  24 o 469.8943 11.42665 6511.351       314.8978 6316.972       428.1486 6740.401       464.7672 461.3682 15.84680 476.3002 16.66379 -14.93201      22.99571 
1 1 1 18  4  25 o 37.08843 18.62170 -519.4363      177.8921 -310.0031      247.8301 -742.0336      255.5002 56.43895 26.92156 44.36735 22.28195 12.07160       34.94647 
1 1 1 18  4  26 o 72.07455 27.56814 113.3071       162.5824 81.42690       248.1536 137.2832       215.2034 80.03951 32.90619 81.14078 31.53598 -1.101273      45.57780 
1 1 1 18  4  27 o 58.06841 25.05303 -8.168710      155.4093 202.7256       240.0356 -160.3732      203.9187 90.12605 33.71513 56.10935 26.01213 34.01670       42.58334 
1 1 1 18  4  28 o 121.5816 22.73630 460.1422       156.1620 249.2379       230.5009 639.0739       212.3116 93.94682 33.35212 142.6604 26.34611 -48.71355      42.50272 
1 1 1 18  4  29 o 237.5416 12.33162 1675.523       171.2067 1964.338       268.4779 1477.583       222.2627 255.5077 18.03236 221.6909 17.23015 33.81677       24.94081 
1 1 1 18  4  30 o 46.90424 21.70823 -108.8406      141.1333 63.18014       203.8357 -267.2479      195.6039 71.85934 29.71115 48.89542 23.48151 22.96392       37.86996 
1 1 1 18  4  31 o 94.78478 24.73520 285.8401       138.9351 158.2085       216.2581 375.5435       181.2999 82.25670 31.70962 107.9173 28.30161 -25.66064      42.50272 
1 1 1 18  4  32 o 93.25192 26.16688 278.4589       148.9042 386.8378       244.7489 214.7682       187.6233 108.8744 34.31749 85.73174 30.12142 23.14262       45.66169 
1 1 1 18  4  33 o 62.41773 25.30749 63.15097       144.3069 141.8147       224.3861 7.667500       188.4476 80.40161 31.91182 63.91524 27.58176 16.48637       42.17959 
1 1 1 18  4  34 o 81.54579 25.47661 212.1474       135.1855 171.7926       210.6841 240.3899       176.2528 81.28257 31.30770 87.10945 29.24333 -5.826881      42.84092 
1 1 1 18  4  35 o 232.2996 11.00404 1613.141       149.4910 1479.799       219.5688 1728.359       204.1019 219.4729 17.19564 238.7419 14.64750 -19.26906      22.58847 
1 1 1 18  4  36 o 49.10355 22.05878 -42.26744      132.4167 -186.3457      201.6192 67.01972       175.5971 52.37491 24.77950 65.98330 27.45468 -13.60839      36.98355 
1 1 1 18  4  37 o 295.4973 9.629969 2603.744       166.6666 2346.667       238.2841 2849.973       233.2023 277.4641 14.69567 307.1103 12.97681 -29.64627      19.60511 
1 1 1 18  4  38 o 99.83080 22.52955 330.9868       128.7648 492.6796       193.5480 202.5929       172.4708 118.9316 28.18274 79.74314 28.78642 39.18843       40.28554 
1 1 1 18  4  39 o 65.47937 24.00322 125.4093       120.5595 184.0930       178.6747 76.36149       163.3481 77.31618 29.05385 64.18347 26.57292 13.13271       39.37317 
1 1 1 18  4  40 o 50.41943 21.96054 3.453461       121.7397 173.6492       173.7453 -160.6915      170.6288 75.32849 28.57372 47.54342 22.58168 27.78508       36.41964 
1 1 1 18  4  41 f 63.14059 24.59939 105.6754       131.1926 286.5425       204.3512 -21.13747      171.1115 88.89633 31.41820 56.08879 25.14570 32.80754       40.24189 
1 1 1 18  4  42 o 99.40221 25.64462 350.3408       150.4887 403.3861       248.9019 319.7772       188.9324 100.6471 34.73445 92.64631 30.24676 8.000832       46.05809 
1 1 1 18  4  43 o 108.3112 23.73791 407.1073       146.6161 350.2652       224.2320 449.5582       193.7787 94.75156 32.95419 109.4351 29.51906 -14.68355      44.24199 
1 1 1 18  4  44 o 194.1572 14.34840 1174.865       162.2288 1308.240       251.6387 1080.005       212.2179 197.2851 22.12968 180.8749 20.35885 16.41023       30.07001 
1 1 1 18  4  45 o 79.69025 28.55229 228.7467       169.3114 143.5494       268.3522 285.0901       218.2298 75.98594 32.85268 86.44276 32.18497 -10.45683      45.99099 
1 1 1 18  5  0  o 477.5152 21.58996 6750.791       603.0657 0.000000       0.000000 6750.791       603.0657 ?        ?        477.5152 21.58996 0.000000       21.58996 
1 1 1 18  5  1  o 531.8099 12.75035 8315.646       397.6758 8819.138       675.0154 8048.000       492.1522 546.0031 21.11971 522.5255 16.07898 23.47760       26.54384 
1 1 1 18  5  2  o 502.2650 15.23308 7433.064       448.1971 7352.150       601.5224 7534.053       672.0123 498.5304 20.61807 504.1863 22.78555 -5.655884      30.72923 
1 1 1 18  5  3  o 196.4635 21.99912 1155.134       249.1290 1337.783       306.3576 798.5346       428.0650 210.9827 25.26039 159.8494 44.18632 51.13330       50.89713 
1 1 1 18  5  4  o 491.0042 15.56250 7106.876       447.5753 6776.829       585.7770 7569.838       693.7732 478.4338 20.92723 505.0912 23.48485 -26.65744      31.45611 
1 1 1 18  5  5  o 438.5870 20.11351 5694.128       515.9844 5694.128       515.9844 0.000000       0.000000 438.5870 20.11351 ?        ?        0.000000       20.11351 
1 1 1 18  5  6  o 522.6989 20.94478 8091.291       640.7631 8091.291       640.7631 0.000000       0.000000 522.6989 20.94478 ?        ?        0.000000       20.94478 
1 1 1 18  5  7  o 277.3114 23.87287 2296.970       384.4846 2296.970       384.4846 0.000000       0.000000 277.3114 23.87287 ?        ?        0.000000       23.87287 
1 1 1 18  5  8  o 119.0929 39.93076 408.1708       328.6318 408.1708       328.6318 0.000000       0.000000 119.0929 39.93076 ?        ?        0.000000       39.93076 
1 1 1 18  5  9  o 482.6335 20.73816 6908.346       585.6304 6908.346       585.6304 0.000000       0.000000 482.6335 20.73816 ?        ?        0.000000       20.73816 
1 1 1 18  5  10 o 490.1354 21.21216 7132.988       608.3059 7132.988       608.3059 0.000000       0.000000 490.1354 21.21216 ?        ?        0.000000       21.21216 
1 1 1 18  5  11 o 1083.562 22.20536 34864.36       1411.114 34864.36       1411.114 0.000000       0.000000 1083.562 22.20536 ?        ?        0.000000       22.20536 
1 1 1 18  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  5  13 o 583.7204 17.96478 10096.60       614.2709 10096.60       614.2709 0.000000       0.000000 583.7204 17.96478 ?        ?        0.000000       17.96478 
1 1 1 18  5  14 o 343.6232 12.66224 3484.815       254.7417 3416.375       370.5770 3546.129       350.7577 338.9414 18.71511 345.6699 17.35749 -6.728546      25.52524 
1 1 1 18  5  15 o 588.3724 17.60135 10266.93       606.6810 0.000000       0.000000 10266.93       606.6810 ?        ?        588.3724 17.60135 0.000000       17.60135 
1 1 1 18  5  16 o 483.0633 16.24165 6915.446       459.4800 0.000000       0.000000 6915.446       459.4800 ?        ?        483.0633 16.24165 0.000000       16.24165 
1 1 1 18  5  17 o 222.3046 16.19653 1471.307       209.7158 1781.877       291.1719 1136.530       302.3072 243.7061 20.56365 192.2951 27.59554 51.41100       34.41478 
1 1 1 18  5  18 o 170.4155 19.25138 875.0069       189.0427 864.7928       251.4982 888.2736       286.6265 167.4678 26.48655 168.6651 30.07951 -1.197281      40.07886 
1 1 1 18  5  19 o 393.2455 10.68654 4560.070       246.2343 5005.745       372.3557 4213.713       328.2545 410.7897 15.48339 377.0142 14.87495 33.77557       21.47090 
1 1 1 18  5  20 o 331.7352 11.00192 3247.685       213.7516 3352.219       297.3623 3135.923       307.4720 336.0951 15.12472 324.7650 16.19415 11.33014       22.15870 
1 1 1 18  5  21 o 314.7242 15.86980 2943.981       291.9769 2943.981       291.9769 0.000000       0.000000 314.7242 15.86980 ?        ?        0.000000       15.86980 
1 1 1 18  5  22 o 72.50239 28.69824 93.55519       181.0061 158.9017       250.1159 21.69816       262.2797 87.35349 33.98464 77.47445 32.96508 9.879036       47.34609 
1 1 1 18  5  23 o 205.0393 17.23149 1256.970       205.2945 1318.668       285.8352 1191.231       295.0443 208.2780 23.82873 197.1081 26.16898 11.16994       35.39243 
1 1 1 18  5  24 o 229.4160 15.89460 1567.617       212.5349 1848.091       299.1049 1281.580       302.0563 247.9005 20.76348 204.6524 25.73400 43.24806       33.06601 
1 1 1 18  5  25 o 260.1289 13.33982 2005.584       202.8319 2039.409       304.0516 1978.461       272.2681 260.5982 20.04814 257.1954 18.16714 3.402802       27.05500 
1 1 1 18  5  26 o 184.1666 16.40855 1015.620       175.3738 1296.588       278.3133 830.5879       225.8548 206.2505 23.42285 164.3262 24.15571 41.92432       33.64711 
1 1 1 18  5  27 o 58.08615 25.15238 -12.61497      157.7831 81.46767       241.3733 -82.81412      208.4973 78.96066 32.45711 61.66251 27.69184 17.29814       42.66500 
1 1 1 18  5  28 o 61.51176 25.70063 30.65341       154.8141 40.06381       234.8512 23.42161       205.8789 74.44934 31.41364 68.98682 29.27430 5.462524       42.93951 
1 1 1 18  5  29 o 204.3901 13.11870 1243.995       156.4235 1257.171       234.5799 1233.445       209.9039 203.4865 19.91096 202.2060 17.88431 1.280502       26.76369 
1 1 1 18  5  30 o 229.6844 11.52943 1565.496       154.8099 1521.467       232.9624 1600.315       207.1690 224.5836 17.83346 231.1812 15.36718 -6.597595      23.54108 
1 1 1 18  5  31 o 139.1958 18.06062 591.6141       143.9653 568.8069       226.9711 606.9666       186.2192 132.3539 29.94285 139.1548 23.66430 -6.800903      38.16508 
1 1 1 18  5  32 o 75.10808 25.97338 163.3442       139.2035 102.6326       215.0439 207.1331       182.6306 76.24084 30.90038 84.35152 29.71125 -8.110672      42.86715 
1 1 1 18  5  33 o 50.80892 22.77216 -48.50893      140.2245 -127.4013      214.0355 10.81635       185.6044 58.57312 26.97449 63.66090 27.42167 -5.087772      38.46520 
1 1 1 18  5  34 f 215.9052 11.71414 1394.584       147.7728 1607.163       238.2224 1261.625       188.4008 228.8958 17.88771 203.6202 15.90257 25.27560       23.93453 
1 1 1 18  5  35 o 48.29396 21.67197 -41.89365      127.4368 -252.1108      202.4984 95.95776       163.9809 49.64777 23.85552 67.79572 27.15659 -18.14794      36.14645 
1 1 1 18  5  36 o 319.2071 9.036031 3029.244       168.9910 2883.164       242.9048 3166.271       235.2573 308.8630 13.44190 324.4197 12.38751 -15.55673      18.27936 
1 1 1 18  5  37 o 56.73572 23.25573 52.63090       123.4696 1.967537       184.3790 93.82104       166.2498 61.17060 26.82570 67.11985 27.18187 -5.949249      38.18995 
1 1 1 18  5  38 o 140.5269 15.85537 613.8532       128.3943 563.6625       194.2704 652.7789       171.0854 128.3206 26.68515 141.9761 21.19506 -13.65549      34.07827 
1 1 1 18  5  39 o 55.16725 22.95582 44.62951       122.7756 26.85479       173.3508 62.51957       173.9124 60.87288 26.36155 64.10098 27.03909 -3.228104      37.76300 
1 1 1 18  5  40 o 145.3364 15.57932 659.3546       130.7225 865.6757       201.1996 508.6384       171.9631 162.4828 21.65241 121.9110 24.89425 40.57178       32.99319 
1 1 1 18  5  41 o 228.0402 11.49624 1577.548       153.2550 1623.601       221.1230 1534.978       212.5989 227.2150 16.71072 221.0716 16.51687 6.143387       23.49586 
1 1 1 18  5  42 o 129.3006 19.30258 545.4312       141.8990 609.8555       219.9621 499.5092       185.7092 128.4369 29.78177 117.8229 27.39565 10.61397       40.46573 
1 1 1 18  5  43 o 86.70969 26.22732 270.2968       144.7033 441.0294       237.8181 169.9278       182.3418 104.5819 33.92026 73.89628 28.93961 30.68562       44.58795 
1 1 1 18  5  44 o 111.9161 25.36575 445.8982       162.6310 595.0663       267.8474 358.7922       204.6791 119.3118 35.59132 95.91896 31.49190 23.39282       47.52349 
1 1 1 18  6  0  o 562.0274 15.47281 9307.759       509.5229 10128.46       738.8594 8563.553       703.5827 584.9823 21.57313 537.6408 22.36256 47.34149       31.07224 
1 1 1 18  6  1  o 524.5494 12.54986 8090.587       386.0786 8733.915       669.7361 7770.402       472.4855 543.2628 21.06040 513.4312 15.70967 29.83160       26.27421 
1 1 1 18  6  2  o 465.9014 12.25315 6386.380       334.5146 6278.500       543.1912 6452.291       424.5771 460.6406 20.15545 467.8367 15.49570 -7.196136      25.42359 
1 1 1 18  6  3  o 560.2864 15.99661 9255.195       525.1021 9630.153       725.0298 8841.539       761.5267 570.2485 21.71880 545.8105 23.84747 24.43805       32.25535 
1 1 1 18  6  4  o 158.2949 31.87767 774.1693       285.6931 774.1693       285.6931 0.000000       0.000000 158.2949 31.87767 ?        ?        0.000000       31.87767 
1 1 1 18  6  5  o 329.2078 20.74327 3216.573       398.4595 3216.573       398.4595 0.000000       0.000000 329.2078 20.74327 ?        ?        0.000000       20.74327 
1 1 1 18  6  6  o 459.1931 19.92838 6243.549       535.4053 6243.549       535.4053 0.000000       0.000000 459.1931 19.92838 ?        ?        0.000000       19.92838 
1 1 1 18  6  7  o 530.5977 21.35013 8347.200       663.0230 8347.200       663.0230 0.000000       0.000000 530.5977 21.35013 ?        ?        0.000000       21.35013 
1 1 1 18  6  8  o 320.1715 21.45406 3049.476       400.5243 3049.476       400.5243 0.000000       0.000000 320.1715 21.45406 ?        ?        0.000000       21.45406 
1 1 1 18  6  9  o 403.1209 19.66276 4819.358       463.4664 4819.358       463.4664 0.000000       0.000000 403.1209 19.66276 ?        ?        0.000000       19.66276 
1 1 1 18  6  10 o 264.2553 23.19331 2090.391       355.8064 2090.391       355.8064 0.000000       0.000000 264.2553 23.19331 ?        ?        0.000000       23.19331 
1 1 1 18  6  11 f 275.3521 24.56374 2276.068       392.5130 2276.068       392.5130 0.000000       0.000000 275.3521 24.56374 ?        ?        0.000000       24.56374 
1 1 1 18  6  12 o 239.2764 18.84255 1706.139       262.2851 1706.139       262.2851 0.000000       0.000000 239.2764 18.84255 ?        ?        0.000000       18.84255 
1 1 1 18  6  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  6  14 o 884.5474 22.44288 23337.86       1163.320 0.000000       0.000000 23337.86       1163.320 ?        ?        884.5474 22.44288 0.000000       22.44288 
1 1 1 18  6  15 f 526.0619 16.88666 8203.950       520.3170 0.000000       0.000000 8203.950       520.3170 ?        ?        526.0619 16.88666 0.000000       16.88666 
1 1 1 18  6  16 o 605.1233 12.58049 10800.47       446.4697 11320.63       679.8348 10405.99       592.0380 617.0354 18.80832 592.2880 17.06157 24.74738       25.39390 
1 1 1 18  6  17 o 276.7927 19.24267 2290.037       310.4259 0.000000       0.000000 2290.037       310.4259 ?        ?        276.7927 19.24267 0.000000       19.24267 
1 1 1 18  6  18 o 425.0551 11.03808 5328.496       274.9297 5049.007       364.1362 5699.063       419.2902 412.7259 15.06889 438.1160 16.34697 -25.39008      22.23274 
1 1 1 18  6  19 o 287.8160 12.28053 2449.301       206.8156 2317.190       284.5470 2597.249       301.1189 278.7434 17.49421 295.1734 17.47260 -16.42999      24.72527 
1 1 1 18  6  20 o 211.1965 14.83497 1326.919       182.5798 1258.253       251.9820 1402.815       264.9170 204.0584 21.37211 215.6163 21.22455 -11.55792      30.12057 
1 1 1 18  6  21 o 254.0600 12.75011 1910.957       189.3696 1957.836       269.5156 1865.246       266.1345 255.9513 18.07078 249.7368 18.29755 6.214493       25.71679 
1 1 1 18  6  22 o 302.8931 12.68044 2713.696       224.7565 3077.144       320.2105 2360.755       315.5482 321.4847 17.04431 280.8533 19.27421 40.63144       25.72944 
1 1 1 18  6  23 o 238.9780 15.39572 1698.550       214.6307 1991.797       308.2455 1422.572       299.0314 257.5108 20.58155 216.3780 23.96552 41.13274       31.59029 
1 1 1 18  6  24 o 139.7906 25.01890 605.1725       197.5831 551.2413       279.3722 659.1443       279.4773 131.2405 35.46237 143.6681 33.74698 -12.42763      48.95343 
1 1 1 18  6  25 f 365.0912 16.26582 3964.554       347.4050 3964.554       347.4050 0.000000       0.000000 365.0912 16.26582 ?        ?        0.000000       16.26582 
1 1 1 18  6  26 o 90.62640 28.24166 250.6848       166.2343 409.6097       256.1181 134.9999       218.5157 114.0453 34.97272 81.21527 31.71704 32.83006       47.21294 
1 1 1 18  6  27 o 49.74708 23.06765 -129.3081      160.4987 -48.00203      249.1751 -186.9608      209.8230 70.29652 30.99351 55.62739 25.98861 14.66912       40.44757 
1 1 1 18  6  28 o 276.5529 11.67892 2265.891       188.9961 2282.031       280.5343 2252.478       255.7441 275.8228 17.43140 274.5232 15.95333 1.299652       23.62970 
1 1 1 18  6  29 o 87.11762 26.34174 236.0481       145.9862 436.8216       225.4671 91.11646       191.5629 116.1269 32.05577 72.93551 29.30485 43.19136       43.43209 
1 1 1 18  6  30 o 152.0806 17.09597 700.7086       149.8440 724.7522       228.4735 682.5603       198.4972 151.4270 26.70207 147.9668 23.67139 3.460159       35.68383 
1 1 1 18  6  31 o 120.1049 22.24393 452.3092       150.9145 218.6049       244.0501 597.0045       192.0317 90.68346 33.98105 137.5186 24.71869 -46.83514      42.02053 
1 1 1 18  6  32 o 56.69762 24.23001 9.171430       142.7948 357.8914       217.4053 -255.4088      189.3697 104.7383 32.24026 47.99403 23.06306 56.74429       39.64012 
1 1 1 18  6  33 o 102.0710 23.46562 335.6761       137.5288 318.1631       219.0211 347.0762       176.7100 98.88583 32.58210 102.5660 28.40452 -3.680183      43.22511 
1 1 1 18  6  34 o 210.3408 11.57003 1323.921       142.1781 1124.675       219.7387 1467.406       186.4723 190.0287 20.01714 220.2365 14.51789 -30.20781      24.72761 
1 1 1 18  6  35 o 228.1787 11.01301 1557.547       146.9425 1364.008       225.7771 1699.768       193.5430 209.7117 18.54826 236.9784 13.98796 -27.26671      23.23146 
1 1 1 18  6  36 o 82.35632 28.04428 218.8915       162.1143 0.000000       0.000000 218.8915       162.1143 ?        ?        82.35632 28.04428 0.000000       28.04428 
1 1 1 18  6  37 o 104.0149 20.73244 351.1067       122.0316 181.3482       175.2391 510.9341       170.0360 77.72585 28.85989 124.0843 24.23508 -46.35845      37.68597 
1 1 1 18  6  38 o 62.13517 24.56205 90.23257       132.4286 34.18421       201.3844 132.9350       175.7805 65.33739 28.35354 71.61364 28.30157 -6.276253      40.06123 
1 1 1 18  6  39 o 110.2864 20.43788 397.4550       127.3262 234.1775       196.4954 515.6349       167.1711 83.81260 30.65680 123.8468 23.88137 -40.03422      38.86077 
1 1 1 18  6  40 o 73.28568 25.45250 175.4749       133.7400 147.6580       191.2776 202.0804       187.0666 73.51501 29.36960 79.11105 29.72832 -5.596039      41.78931 
1 1 1 18  6  41 f 56.92801 23.58243 57.27116       128.7518 46.12008       188.4410 67.03464       176.3272 63.52077 27.49665 63.91611 27.10598 -0.3953438     38.61088 
1 1 1 18  6  42 o 44.74474 20.93501 -97.23563      136.9815 -139.0542      199.9495 -60.25014      188.0406 52.73589 24.86740 55.51254 25.46143 -2.776653      35.59034 
1 1 1 18  6  43 o 42.56998 20.32520 -146.3698      141.9617 -209.1828      235.9412 -110.7264      177.7331 54.11625 25.93616 50.69080 23.75875 3.425453       35.17332 
1 1 1 18  6  44 o 236.5803 12.10221 1713.340       167.3587 1692.196       278.1196 1725.343       209.5431 225.5455 21.27695 234.4762 15.32180 -8.930664      26.21957 
1 1 1 18  7  0  o 653.8950 16.84196 12611.12       645.3412 13552.63       939.7465 11770.87       887.7706 675.9728 23.74137 629.8124 24.07907 46.16040       33.81500 
1 1 1 18  7  1  o 626.6016 16.41596 11578.04       602.7455 11651.13       839.7300 11500.37       865.6841 626.9349 22.87681 622.5991 23.75186 4.335876       32.97726 
1 1 1 18  7  2  o 162.6883 24.16101 800.9983       223.5365 981.0998       290.2736 538.5495       350.4057 179.4524 28.53521 133.1816 40.91892 46.27072       49.88603 
1 1 1 18  7  3  o 347.6755 19.52351 3581.226       396.4920 3581.226       396.4920 0.000000       0.000000 347.6755 19.52351 ?        ?        0.000000       19.52351 
1 1 1 18  7  4  o 132.9442 36.23832 548.8734       290.2259 548.8734       290.2259 0.000000       0.000000 132.9442 36.23832 ?        ?        0.000000       36.23832 
1 1 1 18  7  5  o 633.7125 23.11960 11918.46       857.8171 11918.46       857.8171 0.000000       0.000000 633.7125 23.11960 ?        ?        0.000000       23.11960 
1 1 1 18  7  6  o 396.4468 19.63588 4657.161       455.1266 4657.161       455.1266 0.000000       0.000000 396.4468 19.63588 ?        ?        0.000000       19.63588 
1 1 1 18  7  7  o 204.3477 24.87740 1258.564       292.0069 1258.564       292.0069 0.000000       0.000000 204.3477 24.87740 ?        ?        0.000000       24.87740 
1 1 1 18  7  8  o 377.6292 19.54839 4229.608       431.4656 4229.608       431.4656 0.000000       0.000000 377.6292 19.54839 ?        ?        0.000000       19.54839 
1 1 1 18  7  9  o 238.2638 23.87778 1704.109       329.1671 1704.109       329.1671 0.000000       0.000000 238.2638 23.87778 ?        ?        0.000000       23.87778 
1 1 1 18  7  10 o 403.8947 18.08274 4833.959       427.2482 4833.959       427.2482 0.000000       0.000000 403.8947 18.08274 ?        ?        0.000000       18.08274 
1 1 1 18  7  11 o 334.1837 14.40102 3299.848       281.5845 3299.848       281.5845 0.000000       0.000000 334.1837 14.40102 ?        ?        0.000000       14.40102 
1 1 1 18  7  12 o 567.8840 22.36946 9612.775       743.5587 9612.775       743.5587 0.000000       0.000000 567.8840 22.36946 ?        ?        0.000000       22.36946 
1 1 1 18  7  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  7  14 o 328.9422 12.71403 3194.998       244.8133 3664.124       422.5835 2958.016       300.3489 350.3797 20.65638 315.7842 16.27242 34.59546       26.29597 
1 1 1 18  7  15 o 684.0303 18.50394 13899.45       741.6362 0.000000       0.000000 13899.45       741.6362 ?        ?        684.0303 18.50394 0.000000       18.50394 
1 1 1 18  7  16 f 446.9166 16.08624 5922.251       420.9422 0.000000       0.000000 5922.251       420.9422 ?        ?        446.9166 16.08624 0.000000       16.08624 
1 1 1 18  7  17 o 150.9561 23.53041 698.3508       201.5302 166.2005       288.0862 1208.340       282.0238 92.12242 36.28568 199.1328 24.67624 -107.0103      43.88129 
1 1 1 18  7  18 o 126.2671 33.95218 507.2359       256.8416 507.2359       256.8416 0.000000       0.000000 126.2671 33.95218 ?        ?        0.000000       33.95218 
1 1 1 18  7  19 o 65.54115 27.35839 33.06979       175.1853 211.5460       242.2801 -162.4839      253.6067 91.71126 33.95623 64.49408 29.57651 27.21718       45.03105 
1 1 1 18  7  20 o 121.1062 24.52132 456.3746       168.1841 527.8431       231.3018 376.2009       244.9840 128.9978 30.96680 110.2431 34.27351 18.75469       46.19108 
1 1 1 18  7  21 o 297.6068 11.77452 2617.011       205.1061 2497.631       298.1898 2724.210       282.5679 289.3578 17.65547 302.6995 15.97352 -13.34177      23.80901 
1 1 1 18  7  22 o 499.3135 11.34543 7351.571       332.2345 7464.207       481.5685 7249.269       458.9482 501.3548 16.40013 494.2795 15.85267 7.075287       22.80946 
1 1 1 18  7  23 o 301.3236 13.01453 2686.858       229.4494 2779.267       335.7249 2605.861       314.3132 304.9683 18.86293 295.4500 18.22837 9.518250       26.23135 
1 1 1 18  7  24 o 159.1772 21.74611 771.7363       197.7055 926.9960       275.1273 605.9589       284.2935 172.7828 28.11665 137.4323 35.13927 35.35054       45.00349 
1 1 1 18  7  25 f 367.3427 10.97635 3983.391       236.2068 4090.448       346.3036 3890.254       323.0056 370.8913 15.95796 361.9025 15.25256 8.988770       22.07480 
1 1 1 18  7  26 o 145.9752 30.96849 678.2359       256.9016 678.2359       256.9016 0.000000       0.000000 145.9752 30.96849 ?        ?        0.000000       30.96849 
1 1 1 18  7  27 o 67.73831 27.03797 78.26582       161.9692 213.4342       243.8867 -28.39176      216.6439 91.30366 34.01860 66.68481 29.16529 24.61884       44.80937 
1 1 1 18  7  28 o 173.0168 16.74846 901.4636       167.8244 1263.686       258.6996 638.2574       220.5243 203.3658 22.04240 142.0092 27.47172 61.35661       35.22163 
1 1 1 18  7  29 o 55.76358 23.92701 0.4984515      140.2772 -86.15707      227.8651 53.38080       178.0062 64.19400 28.87901 67.27981 27.78625 -3.085808      40.07584 
1 1 1 18  7  30 o 84.93119 26.32047 223.4359       144.6090 174.9272       237.9063 251.8604       182.1136 86.16196 33.24730 90.70126 29.70113 -4.539299      44.58184 
1 1 1 18  7  31 o 241.1549 11.74828 1728.932       165.6579 1643.917       282.7124 1773.384       204.4299 231.6846 21.03547 243.4221 14.38382 -11.73750      25.48304 
1 1 1 18  7  32 o 155.4241 16.35387 733.7898       146.8386 732.9908       232.1369 734.3226       189.5871 150.9827 27.21703 153.5448 21.65398 -2.562088      34.78019 
1 1 1 18  7  33 o 92.89950 24.68633 280.4502       136.7797 520.4118       217.0013 122.2675       176.1859 124.6399 30.04117 72.87901 28.47448 51.76085       41.39164 
1 1 1 18  7  34 o 69.89617 25.13922 139.3602       131.3922 144.6553       207.6428 135.8240       169.6846 77.79755 30.75529 73.15080 28.11721 4.646744       41.67092 
1 1 1 18  7  35 o 71.88545 24.89645 156.8820       127.9195 263.3568       189.6086 67.93535       173.3003 89.50908 30.33130 65.93724 27.34117 23.57184       40.83537 
1 1 1 18  7  36 o 88.24264 24.53370 259.2351       131.5462 548.6764       204.9725 56.53375       171.5314 126.7270 28.29533 64.29094 26.97025 62.43603       39.08990 
1 1 1 18  7  37 o 49.14882 22.93868 -117.9043      162.7934 0.000000       0.000000 -117.9043      162.7934 ?        ?        49.14882 22.93868 0.000000       22.93868 
1 1 1 18  7  38 o 86.70045 23.07518 252.7421       119.3909 179.3298       176.8396 314.2317       161.8438 76.81076 28.89565 94.86550 27.49915 -18.05474      39.88937 
1 1 1 18  7  39 o 60.42934 24.26884 79.96823       131.3166 47.41632       201.2131 104.1189       173.3137 65.89205 28.46800 67.89331 27.65783 -2.001259      39.69109 
1 1 1 18  7  40 o 49.29048 22.13513 -30.45704      133.2075 -130.3634      215.7661 31.07414       169.3301 55.92929 26.20235 60.16859 26.05530 -4.239300      36.95188 
1 1 1 18  7  41 o 103.9365 24.60810 376.1687       147.6653 584.7433       235.0352 240.1505       189.8019 123.8659 32.09609 82.89838 30.15961 40.96749       44.04272 
1 1 1 18  7  42 o 113.0584 21.93430 431.6703       140.1897 354.5225       246.6098 468.5041       170.4008 95.16511 34.41270 115.0368 25.88477 -19.87174      43.06106 
1 1 1 18  7  43 o 91.99432 26.39452 307.0862       149.8203 423.5788       239.0313 231.7095       192.2756 102.1211 34.05165 80.93168 30.19529 21.18947       45.51122 
1 1 1 18  7  44 f 61.91857 25.68435 82.37024       153.0129 -152.8708      249.2321 224.6742       193.8456 57.95977 27.45981 79.94313 30.21377 -21.98336      40.82785 
1 1 1 18  8  0  o 613.9215 16.12245 11115.14       579.9871 11651.35       823.9513 10588.53       816.5502 626.9117 22.44637 597.3279 23.35378 29.58374       32.39196 
1 1 1 18  8  1  o 653.8768 16.89791 12615.43       647.4636 13393.44       932.4083 11890.94       899.7675 671.7619 23.70399 632.7211 24.29266 39.04077       33.94131 
1 1 1 18  8  2  o 584.1915 13.16465 10041.84       451.0400 10546.11       762.8397 9770.793       559.2715 596.5137 21.84220 575.4425 16.58913 21.07117       27.42774 
1 1 1 18  8  3  o 597.1275 16.02777 10517.30       560.7868 10977.14       794.8215 10061.48       791.3345 608.3937 22.31366 582.1583 23.22421 26.23541       32.20657 
1 1 1 18  8  4  o 514.0281 20.55192 7827.914       618.3201 7827.914       618.3201 0.000000       0.000000 514.0281 20.55192 ?        ?        0.000000       20.55192 
1 1 1 18  8  5  o 257.6795 21.80403 1980.406       326.4188 1980.406       326.4188 0.000000       0.000000 257.6795 21.80403 ?        ?        0.000000       21.80403 
1 1 1 18  8  6  o 418.0238 19.35570 5177.510       473.2383 5177.510       473.2383 0.000000       0.000000 418.0238 19.35570 ?        ?        0.000000       19.35570 
1 1 1 18  8  7  o 442.1222 19.60038 5794.268       506.9632 5794.268       506.9632 0.000000       0.000000 442.1222 19.60038 ?        ?        0.000000       19.60038 
1 1 1 18  8  8  o 255.7648 21.31317 1952.572       316.7946 1952.572       316.7946 0.000000       0.000000 255.7648 21.31317 ?        ?        0.000000       21.31317 
1 1 1 18  8  9  o 560.5577 21.26353 9335.600       697.7792 9335.600       697.7792 0.000000       0.000000 560.5577 21.26353 ?        ?        0.000000       21.26353 
1 1 1 18  8  10 o 588.9491 13.97404 10226.24       482.6699 10226.24       482.6699 0.000000       0.000000 588.9491 13.97404 ?        ?        0.000000       13.97404 
1 1 1 18  8  11 o 693.6956 15.57238 14212.07       633.5406 14212.07       633.5406 0.000000       0.000000 693.6956 15.57238 ?        ?        0.000000       15.57238 
1 1 1 18  8  12 o 418.4906 13.83587 5172.090       339.1138 5172.090       339.1138 0.000000       0.000000 418.4906 13.83587 ?        ?        0.000000       13.83587 
1 1 1 18  8  13 o 614.1427 14.38222 11136.34       518.0190 11136.34       518.0190 0.000000       0.000000 614.1427 14.38222 ?        ?        0.000000       14.38222 
1 1 1 18  8  14 o 752.8474 15.40387 16758.98       680.1229 18709.29       1271.268 15976.92       805.0175 787.8586 27.55545 733.3893 18.73164 54.46930       33.31932 
1 1 1 18  8  15 o 725.7883 19.18888 15668.80       816.0728 0.000000       0.000000 15668.80       816.0728 ?        ?        725.7883 19.18888 0.000000       19.18888 
1 1 1 18  8  16 f 395.5323 11.85818 4617.261       274.7639 4787.601       416.2585 4485.738       365.7689 401.1888 17.73530 388.8060 16.07537 12.38278       23.93655 
1 1 1 18  8  17 o 324.1231 12.29356 3104.473       233.2653 2604.751       302.8448 3833.415       365.7652 295.6415 17.54534 358.8818 17.43015 -63.24026      24.73154 
1 1 1 18  8  18 f 260.5415 13.35428 2010.996       203.3746 1972.484       277.2762 2055.840       299.2041 256.8227 18.53359 261.9169 19.62101 -5.094238      26.99033 
1 1 1 18  8  19 o 268.1761 12.94442 2129.358       202.9871 1786.477       282.6474 2494.557       291.7010 243.9238 19.93151 289.2712 17.27287 -45.34743      26.37455 
1 1 1 18  8  20 o 325.3605 11.60672 3126.615       221.1203 3092.368       316.4709 3159.281       309.0825 322.3105 16.80005 325.9519 16.21948 -3.641357      23.35194 
1 1 1 18  8  21 o 164.8566 20.58517 823.5142       194.7014 881.2772       288.2499 775.0470       264.0391 167.6917 30.42976 157.2399 29.72092 10.45177       42.53590 
1 1 1 18  8  22 o 217.4201 17.59332 1413.500       222.4208 1625.704       330.2476 1237.338       300.8981 231.2060 24.73920 200.9339 26.15387 30.27211       36.00073 
1 1 1 18  8  23 o 291.2769 13.69099 2513.752       233.2246 2447.969       349.8758 2566.358       312.8759 285.4387 21.04825 293.1450 18.28976 -7.706299      27.88448 
1 1 1 18  8  24 o 111.4824 28.19530 391.9413       184.4383 726.1783       270.5165 101.6087       252.1241 151.4234 31.48914 82.36964 33.43141 69.05372       45.92630 
1 1 1 18  8  25 o 290.7932 11.82718 2500.991       201.2838 2718.985       304.4418 2331.697       268.2898 301.7926 17.27280 279.6435 16.43111 22.14911       23.83969 
1 1 1 18  8  26 o 93.03536 27.99024 268.1820       165.1276 311.4897       250.5312 234.9167       219.5709 102.4414 34.86333 91.84315 32.55704 10.59825       47.70129 
1 1 1 18  8  27 o 63.94402 26.50891 41.35417       162.8611 -56.03620      249.2569 113.9040       215.1331 69.62225 30.83330 78.38628 31.20299 -8.764023      43.86707 
1 1 1 18  8  28 o 220.9136 13.68468 1454.097       176.4291 1008.087       264.5761 1811.232       236.7528 179.9230 25.81161 245.8003 16.51929 -65.87729      30.64517 
1 1 1 18  8  29 o 60.90327 25.17613 40.50612       146.3185 63.36364       233.1313 25.65053       187.9451 75.75991 31.58728 66.20037 28.02572 9.559540       42.22792 
1 1 1 18  8  30 o 45.37641 21.34588 -146.3626      145.7571 -112.3800      244.9729 -164.9860      181.3506 65.01208 29.52666 51.33386 24.04058 13.67823       38.07589 
1 1 1 18  8  31 o 264.3136 11.50121 2075.865       177.8578 1991.650       274.1315 2137.086       233.7296 256.2977 18.35904 266.9787 14.98766 -10.68100      23.69988 
1 1 1 18  8  32 o 279.3654 10.14858 2315.326       165.9993 2495.826       277.4153 2214.649       207.1847 287.3665 16.53028 272.2022 13.01595 15.16437       21.03961 
1 1 1 18  8  33 o 125.6105 17.96309 489.0873       128.5664 268.5052       218.9872 605.1080       158.8186 92.52135 32.53897 139.1077 20.04476 -46.58639      38.21750 
1 1 1 18  8  34 o 149.5356 15.06727 682.6878       130.3388 497.1209       214.3080 791.6193       164.1968 120.4645 30.35187 159.9337 17.80713 -39.46922      35.18991 
1 1 1 18  8  35 o 116.7338 18.98125 430.7986       125.4885 311.4366       200.4962 507.6712       160.9010 95.67479 31.15350 125.1089 22.76754 -29.43414      38.58628 
1 1 1 18  8  36 o 98.52673 22.01311 318.0289       123.9899 375.2440       204.0094 284.5158       156.1356 103.3765 31.11384 91.65612 27.13250 11.72042       41.28249 
1 1 1 18  8  37 o 70.19599 24.49435 152.3265       123.9366 56.08481       207.4818 205.7171       154.5363 68.14455 29.16652 79.53053 27.37240 -11.38598      39.99918 
1 1 1 18  8  38 o 47.10111 21.66653 -73.40400      137.5359 51.59095       221.3057 -152.0605      175.5552 68.76914 29.78326 49.08079 23.19145 19.68835       37.74767 
1 1 1 18  8  39 o 66.95303 24.32418 135.4170       123.3999 -11.36789      187.2822 248.0365       164.0449 59.54572 26.52790 84.62626 28.20909 -25.08054      38.72314 
1 1 1 18  8  40 o 53.89137 23.26820 19.14979       134.2501 29.97423       207.1063 11.30537       176.3075 64.64501 28.38767 59.39016 26.13217 5.254852       38.58432 
1 1 1 18  8  41 o 52.50903 23.23356 -5.450093      141.2171 -61.92523      224.7611 31.38495       181.5194 60.35456 27.73914 61.29555 26.75467 -0.9409904     38.53923 
1 1 1 18  8  42 o 150.6960 17.09678 724.2397       148.4336 729.1432       250.0411 721.5714       184.4507 138.8491 31.43917 146.6387 22.13651 -7.789581      38.45057 
1 1 1 18  8  43 o 47.57352 22.19814 -92.52301      152.3041 -592.6249      307.1670 70.51017       175.3813 50.87215 25.38172 63.29399 26.94480 -12.42184      37.01694 
1 1 1 18  8  44 o 70.39370 27.35275 153.3501       161.8678 360.5790       301.3526 69.31583       191.9014 93.67195 37.04460 64.71694 27.87982 28.95501       46.36364 
1 1 1 18  9  0  o 528.9376 12.51910 8230.665       388.3541 8740.627       643.4225 7938.417       487.0830 543.2990 20.22860 518.6829 16.03143 24.61615       25.81091 
1 1 1 18  9  1  o 232.0736 16.08028 1595.309       217.5083 1826.345       270.9458 1176.552       364.7733 247.9619 18.77089 195.6115 32.96730 52.35037       37.93665 
1 1 1 18  9  2  o 150.6805 23.56908 689.1151       201.4612 796.3607       249.0486 486.0820       342.6713 161.4199 27.27825 127.4263 40.66022 33.99364       48.96281 
1 1 1 18  9  3  o 639.3772 16.60810 12066.76       622.2427 12522.48       883.4359 11618.09       876.5724 649.3232 23.23616 625.1568 23.95259 24.16644       33.37133 
1 1 1 18  9  4  o 176.8388 26.06841 949.7006       262.2602 949.7006       262.2602 0.000000       0.000000 176.8388 26.06841 ?        ?        0.000000       26.06841 
1 1 1 18  9  5  o 298.5565 19.32338 2646.788       336.5278 2646.788       336.5278 0.000000       0.000000 298.5565 19.32338 ?        ?        0.000000       19.32338 
1 1 1 18  9  6  o 209.3796 23.25848 1317.402       280.7920 1317.402       280.7920 0.000000       0.000000 209.3796 23.25848 ?        ?        0.000000       23.25848 
1 1 1 18  9  7  o 92.12088 34.80474 191.1269       257.1818 191.1269       257.1818 0.000000       0.000000 92.12088 34.80474 ?        ?        0.000000       34.80474 
1 1 1 18  9  8  o 302.9997 19.04777 2728.193       336.7704 2728.193       336.7704 0.000000       0.000000 302.9997 19.04777 ?        ?        0.000000       19.04777 
1 1 1 18  9  9  o 574.2797 21.83071 9812.157       733.9228 9812.157       733.9228 0.000000       0.000000 574.2797 21.83071 ?        ?        0.000000       21.83071 
1 1 1 18  9  10 o 686.2137 15.10877 13901.04       608.0496 13901.04       608.0496 0.000000       0.000000 686.2137 15.10877 ?        ?        0.000000       15.10877 
1 1 1 18  9  11 o 400.1660 18.51657 4755.820       433.3834 4755.820       433.3834 0.000000       0.000000 400.1660 18.51657 ?        ?        0.000000       18.51657 
1 1 1 18  9  12 o 925.6803 31.91770 26000.17       1730.186 26000.17       1730.186 0.000000       0.000000 925.6803 31.91770 ?        ?        0.000000       31.91770 
1 1 1 18  9  13 o 758.0934 16.08960 17004.07       715.3498 17004.07       715.3498 0.000000       0.000000 758.0934 16.08960 ?        ?        0.000000       16.08960 
1 1 1 18  9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  9  16 o 298.9461 18.59698 2667.844       324.4366 0.000000       0.000000 2667.844       324.4366 ?        ?        298.9461 18.59698 0.000000       18.59698 
1 1 1 18  9  17 o 258.7488 13.81266 1984.745       208.8476 2001.439       291.3158 1967.092       299.5674 258.5032 19.35586 256.0512 20.11008 2.451965       27.91173 
1 1 1 18  9  18 o 416.0882 10.89305 5106.830       265.5899 5037.887       376.8119 5174.893       374.4015 411.9907 15.62336 417.6618 15.31080 -5.671143      21.87487 
1 1 1 18  9  19 o 214.4597 15.00164 1368.607       187.4940 1440.436       277.0012 1307.872       254.7121 218.2871 21.93428 208.1225 21.16194 10.16461       30.47853 
1 1 1 18  9  20 o 55.25188 25.13121 -101.4612      178.2873 134.2530       261.7017 -305.6086      243.5486 86.37449 34.40433 55.94930 26.68800 30.42519       43.54202 
1 1 1 18  9  21 o 347.8076 11.70997 3572.454       238.5204 3601.434       359.8444 3549.743       318.5546 347.6531 17.70724 345.7167 15.75272 1.936432       23.70010 
1 1 1 18  9  22 o 336.9418 12.84665 3357.668       253.3956 3340.253       367.0215 3373.531       350.2759 334.4556 18.78675 336.4255 17.81648 -1.969879      25.89149 
1 1 1 18  9  23 o 57.03679 26.11714 -126.3247      196.7500 -97.65637      295.4682 -149.1636      263.7231 74.26752 33.18765 66.76622 30.44456 7.501297       45.03656 
1 1 1 18  9  24 o 51.69809 24.05767 -152.4871      176.9772 -142.2793      274.2088 -159.7749      231.6952 68.62244 31.19485 61.02735 28.09041 7.595097       41.97844 
1 1 1 18  9  25 o 465.5694 10.75521 6393.981       293.6661 6747.189       447.5667 6126.962       389.1475 476.2696 16.04630 454.3765 14.62223 21.89310       21.70929 
1 1 1 18  9  26 o 190.7439 16.19308 1090.029       179.4363 1013.221       291.1363 1137.077       227.8593 179.9069 28.54504 193.6817 20.36414 -13.77481      35.06447 
1 1 1 18  9  27 o 43.20283 20.90203 -253.4966      162.0090 -358.2066      248.6902 -176.2965      213.5371 54.25824 26.16344 56.70299 26.39993 -2.444744      37.16829 
1 1 1 18  9  28 o 80.58266 26.84128 192.0538       148.5275 199.8448       250.0694 187.8073       184.6195 90.00388 34.24722 82.88790 29.80086 7.115982       45.39784 
1 1 1 18  9  29 o 223.5343 12.72406 1487.059       166.1205 1434.935       265.3026 1520.675       213.0572 216.8010 21.13350 225.0250 16.25367 -8.224014      26.66096 
1 1 1 18  9  30 o 266.6407 11.67225 2111.405       182.0865 2076.835       292.4082 2133.301       232.7133 261.6703 19.18733 266.9645 14.92276 -5.294220      24.30725 
1 1 1 18  9  31 o 46.76584 21.88489 -134.9881      149.8150 -151.2805      238.2411 -124.3314      192.6791 61.41663 28.34674 55.52271 25.57826 5.893921       38.18095 
1 1 1 18  9  32 o 96.67014 24.10558 301.8224       136.1921 532.9739       226.0779 170.1555       170.6272 126.2620 30.80753 78.20289 28.57355 48.05910       42.01847 
1 1 1 18  9  33 o 130.2389 17.58424 524.9948       130.8838 784.3661       220.4668 383.8296       162.6469 156.0225 24.93272 107.8997 26.00917 48.12280       36.02940 
1 1 1 18  9  34 o 94.63134 23.31857 293.5294       128.5658 312.3760       207.0654 281.7057       164.0092 96.31710 31.67766 91.91460 27.94732 4.402504       42.24366 
1 1 1 18  9  35 o 99.06928 22.78191 322.3097       129.6011 180.3765       203.7275 418.7938       167.9715 80.22279 30.81572 111.6482 26.11971 -31.42546      40.39614 
1 1 1 18  9  36 o 45.24811 20.70397 -64.86895      123.3437 -101.3708      198.7551 -42.00654      157.2976 56.28458 25.94695 53.50266 24.03793 2.781918       35.37042 
1 1 1 18  9  37 o 36.41354 17.77481 -208.6701      124.3800 -391.2407      203.6778 -100.0974      157.0683 43.94147 21.70426 49.07850 22.77905 -5.137032      31.46363 
1 1 1 18  9  38 o 53.89766 23.28114 14.31336       134.5160 -360.6487      217.0888 248.0050       171.3821 46.84378 22.99437 85.05183 28.83650 -38.20806      36.88204 
1 1 1 18  9  39 o 82.76569 24.92041 234.9098       130.8550 121.7880       217.4431 299.1369       163.8443 73.42982 30.55207 91.83193 27.93551 -18.40211      41.39833 
1 1 1 18  9  40 o 79.97267 26.17691 220.9257       141.4665 342.6161       234.9491 151.7164       177.1855 95.09993 33.68109 72.50210 28.48749 22.59783       44.11296 
1 1 1 18  9  41 o 93.87233 25.60056 312.8184       144.8020 119.8377       241.5334 421.0942       180.9197 73.96508 31.55832 107.2044 28.34707 -33.23931      42.42033 
1 1 1 18  9  42 o 61.93652 25.70415 79.10587       153.3521 -342.6273      251.9676 327.2333       193.2694 51.33910 25.11160 92.93871 30.60604 -41.59960      39.58942 
1 1 1 18  9  43 o 44.49743 21.14924 -137.5132      150.1715 37.93402       278.4589 -209.4671      178.3262 70.59421 31.82676 45.69400 22.06379 24.90021       38.72665 
1 1 1 18  9  44 o 90.98325 26.99928 305.5310       154.4536 333.8595       290.7579 294.3947       182.3021 91.15183 36.27817 88.09288 29.74168 3.058952       46.91133 
1 1 1 18  10 0  o 649.9734 16.48279 12470.91       627.8073 12541.37       870.4808 12394.52       906.3098 649.8220 22.87664 645.5989 23.97831 4.223083       33.14061 
1 1 1 18  10 1  o 265.8363 14.34152 2087.780       222.7661 2044.960       275.4232 2168.782       378.8121 262.5258 17.99754 269.1428 24.25895 -6.616943      30.20609 
1 1 1 18  10 2  o 365.5038 13.11456 3937.733       280.6673 4038.494       372.7026 3805.736       426.5769 369.4688 17.24783 358.0041 20.40142 11.46463       26.71527 
1 1 1 18  10 3  o 483.3458 14.17868 6888.453       401.4900 6877.936       542.0250 6901.237       597.6230 481.8746 19.21793 482.1737 21.18530 -0.2991028     28.60325 
1 1 1 18  10 4  o 293.0703 14.48324 2537.291       248.1650 2563.153       318.0664 2497.051       396.7515 293.8769 18.54911 288.9743 23.61619 4.902618       30.02988 
1 1 1 18  10 5  o 328.7967 17.59823 3203.223       338.1129 3203.223       338.1129 0.000000       0.000000 328.7967 17.59823 ?        ?        0.000000       17.59823 
1 1 1 18  10 6  o 274.1179 19.48499 2235.731       311.2058 2235.731       311.2058 0.000000       0.000000 274.1179 19.48499 ?        ?        0.000000       19.48499 
1 1 1 18  10 7  f 147.1145 31.20831 674.4437       260.9103 674.4437       260.9103 0.000000       0.000000 147.1145 31.20831 ?        ?        0.000000       31.20831 
1 1 1 18  10 8  o 237.6791 21.85494 1692.313       301.2348 1692.313       301.2348 0.000000       0.000000 237.6791 21.85494 ?        ?        0.000000       21.85494 
1 1 1 18  10 9  o 338.9460 19.96795 3420.055       395.1721 3420.055       395.1721 0.000000       0.000000 338.9460 19.96795 ?        ?        0.000000       19.96795 
1 1 1 18  10 10 o 239.7630 26.68264 1742.966       368.8500 1742.966       368.8500 0.000000       0.000000 239.7630 26.68264 ?        ?        0.000000       26.68264 
1 1 1 18  10 11 o 566.4434 18.39857 9523.525       610.4002 9523.525       610.4002 0.000000       0.000000 566.4434 18.39857 ?        ?        0.000000       18.39857 
1 1 1 18  10 12 o 83.03874 31.93648 145.8397       219.0021 145.8397       219.0021 0.000000       0.000000 83.03874 31.93648 ?        ?        0.000000       31.93648 
1 1 1 18  10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  10 14 o 406.8892 20.54016 4945.090       488.5664 4945.090       488.5664 0.000000       0.000000 406.8892 20.54016 ?        ?        0.000000       20.54016 
1 1 1 18  10 15 o 444.9933 10.20080 5831.254       266.2185 5431.549       331.5667 6556.419       446.6010 428.6629 13.20452 470.0686 16.22405 -41.40573      20.91840 
1 1 1 18  10 16 o 386.7838 15.76627 4440.283       356.8918 0.000000       0.000000 4440.283       356.8918 ?        ?        386.7838 15.76627 0.000000       15.76627 
1 1 1 18  10 17 o 115.0834 28.03858 417.0489       187.4750 404.9066       269.1139 428.4978       261.3174 114.3639 35.97667 116.8679 35.22253 -2.503975      50.34826 
1 1 1 18  10 18 o 158.2582 19.90946 758.4164       180.7090 748.9911       273.8165 765.6893       240.5293 153.9651 31.38966 157.0261 27.09724 -3.060959      41.46771 
1 1 1 18  10 19 o 102.0739 27.57262 326.5199       168.9218 321.7631       241.4436 331.0807       236.4188 103.6898 34.21129 104.5439 33.81330 -0.8541183     48.10147 
1 1 1 18  10 20 o 90.94627 28.94754 248.5770       173.7719 421.2276       256.7891 102.7208       236.0233 115.8965 34.91297 80.57980 32.47502 35.31667       47.68167 
1 1 1 18  10 21 o 142.4005 23.58668 623.8989       190.0934 743.8097       285.8623 528.8381       254.5238 153.0626 32.82927 128.8226 33.41024 24.23994       46.84021 
1 1 1 18  10 22 o 307.3226 13.30653 2796.207       239.2652 2763.013       363.1668 2821.666       318.0485 303.5076 20.52332 307.5999 17.70498 -4.092316      27.10485 
1 1 1 18  10 23 o 69.26871 28.65460 48.92705       189.7280 -223.9985      296.2127 238.7885       247.0586 67.73158 31.38303 94.84336 34.42328 -27.11178      46.58173 
1 1 1 18  10 24 o 408.5046 11.16215 4927.156       267.1702 4778.684       398.7982 5048.054       359.8656 400.4859 17.01792 412.3914 14.90373 -11.90552      22.62147 
1 1 1 18  10 25 o 61.94523 26.44155 6.500376       169.6936 148.0130       294.7279 -63.67496      207.5467 90.55079 36.36069 62.83887 27.96488 27.71192       45.87084 
1 1 1 18  10 26 o 114.7438 24.90304 414.5900       162.7625 610.4337       272.4269 305.8789       202.9701 137.0621 34.04438 99.30553 31.24479 37.75654       46.20884 
1 1 1 18  10 27 o 54.11671 24.36431 -70.05666      162.5433 65.20892       272.5509 -144.7221      202.4948 81.02958 33.99474 56.52630 26.10533 24.50328       42.86176 
1 1 1 18  10 28 o 112.3252 24.66078 399.4101       157.9947 633.9493       269.7353 276.9146       194.9350 139.1339 33.46670 94.76740 30.70802 44.36649       45.42028 
1 1 1 18  10 29 o 165.3473 17.48011 828.4164       166.9454 895.7403       309.4265 800.7715       198.2806 165.8013 32.98236 161.2225 21.50619 4.578766       39.37451 
1 1 1 18  10 30 o 211.7935 20.69187 1373.852       253.7429 1149.768       282.9571 2294.030       573.3920 191.2949 25.88485 262.2372 38.42215 -70.94235      46.32804 
1 1 1 18  10 31 o 56.36038 24.26834 1.509936       145.2722 -90.58098      233.9615 59.29341       185.3266 64.12364 29.01634 68.21188 28.27822 -4.088242      40.51674 
1 1 1 18  10 32 o 164.0015 14.65764 814.0169       139.4969 1018.024       233.5306 700.8422       173.9388 179.9684 22.62448 149.9382 20.30141 30.03015       30.39761 
1 1 1 18  10 33 o 70.45379 25.01752 143.9894       129.6989 168.0052       211.1917 129.4470       164.3410 80.51539 31.25521 71.90046 27.66207 8.614929       41.73822 
1 1 1 18  10 34 o 77.34289 24.41931 192.1275       123.8763 97.91697       189.8165 262.0185       163.4913 70.88846 28.91956 88.87597 28.05254 -17.98751      40.29002 
1 1 1 18  10 35 o 112.0922 20.39303 403.2777       129.1254 39.47311       205.4848 640.6830       165.9934 67.22972 28.90467 141.8276 20.55467 -74.59784      35.46793 
1 1 1 18  10 36 o 164.1917 13.71455 822.2170       130.8584 867.7692       215.0636 795.4379       164.8960 163.2538 23.10736 159.3323 17.95887 3.921432       29.26553 
1 1 1 18  10 37 o 155.9101 14.87314 750.0663       134.3503 494.6469       212.2079 920.9317       173.5648 117.2257 30.55890 171.3092 17.52205 -54.08356      35.22596 
1 1 1 18  10 38 o 65.73627 24.77873 121.8378       130.1819 204.6059       201.7025 62.74341       170.4327 80.69994 30.74543 63.60486 26.79507 17.09508       40.78305 
1 1 1 18  10 39 o 142.3017 18.01765 645.6374       147.0036 618.3350       242.1014 661.5822       185.0149 128.5338 32.19017 140.5274 23.26202 -11.99367      39.71560 
1 1 1 18  10 40 o 52.08634 23.12800 -11.69956      141.1599 -236.1818      244.9264 99.95168       172.7334 54.76773 26.29487 66.63911 27.43146 -11.87139      37.99875 
1 1 1 18  10 41 o 52.92817 23.77321 -23.69405      153.7333 -7.537205      266.1915 -31.77998      188.3132 67.74789 30.77299 57.39450 25.99574 10.35339       40.28344 
1 1 1 18  10 42 o 48.04584 22.42988 -95.70838      155.8200 10.82582       267.8778 -150.1884      191.5627 68.43512 30.99977 50.68172 24.02998 17.75340       39.22277 
1 1 1 18  10 43 o 68.77256 27.22821 137.6896       162.9725 119.3164       298.1664 145.5171       194.6161 76.65605 33.84606 71.80518 29.28691 4.850876       44.75800 
1 1 1 18  11 0  o 152.4304 16.36316 693.4642       143.9942 704.5809       184.8034 676.2859       229.7266 152.7754 21.19576 148.2793 27.42676 4.496170       34.66248 
1 1 1 18  11 1  o 153.5877 18.34445 707.0372       161.9753 876.4915       194.3544 321.7068       293.0790 170.9759 19.74478 108.0906 37.67005 62.88533       42.53104 
1 1 1 18  11 2  o 61.12901 25.66274 18.06084       155.4802 14.25256       180.9066 28.82438       304.1358 65.23542 27.55064 84.37426 35.68220 -19.13884      45.08056 
1 1 1 18  11 3  o 458.8456 13.65360 6208.235       367.0126 6174.083       487.3463 6252.982       557.8340 456.5905 18.23622 458.8312 20.78407 -2.240692      27.65026 
1 1 1 18  11 4  o 438.9329 13.41452 5681.149       344.9162 5978.693       471.7324 5339.351       505.5970 449.3181 17.93763 423.9580 20.39420 25.36014       27.16030 
1 1 1 18  11 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  11 6  o 285.5067 17.54612 2419.557       292.3783 2419.557       292.3783 0.000000       0.000000 285.5067 17.54612 ?        ?        0.000000       17.54612 
1 1 1 18  11 7  o 162.4548 26.90947 809.6724       247.4149 809.6724       247.4149 0.000000       0.000000 162.4548 26.90947 ?        ?        0.000000       26.90947 
1 1 1 18  11 8  o 131.2957 27.29998 535.1052       203.3521 535.1052       203.3521 0.000000       0.000000 131.2957 27.29998 ?        ?        0.000000       27.29998 
1 1 1 18  11 9  o 253.1601 15.61954 1900.957       230.7779 1900.957       230.7779 0.000000       0.000000 253.1601 15.61954 ?        ?        0.000000       15.61954 
1 1 1 18  11 10 o 367.7646 19.34652 4026.135       415.8083 4026.135       415.8083 0.000000       0.000000 367.7646 19.34652 ?        ?        0.000000       19.34652 
1 1 1 18  11 11 o 448.4023 18.67546 5977.320       490.0471 5977.320       490.0471 0.000000       0.000000 448.4023 18.67546 ?        ?        0.000000       18.67546 
1 1 1 18  11 12 o 648.3993 19.28098 12505.88       732.3851 12505.88       732.3851 0.000000       0.000000 648.3993 19.28098 ?        ?        0.000000       19.28098 
1 1 1 18  11 13 o 511.7022 20.48007 7812.712       613.3680 7812.712       613.3680 0.000000       0.000000 511.7022 20.48007 ?        ?        0.000000       20.48007 
1 1 1 18  11 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  11 15 o 539.8091 16.58436 8651.888       524.4136 0.000000       0.000000 8651.888       524.4136 ?        ?        539.8091 16.58436 0.000000       16.58436 
1 1 1 18  11 16 o 516.2585 10.23238 7850.979       309.8093 7509.354       384.3316 8484.855       523.5206 504.0346 13.01243 534.4274 16.72358 -30.39285      21.18966 
1 1 1 18  11 17 o 305.1223 11.09837 2748.580       198.2712 2560.625       250.3235 3065.011       324.7986 293.7656 14.57499 320.7117 17.33268 -26.94608      22.64624 
1 1 1 18  11 18 o 216.4641 15.29131 1395.075       192.8755 1226.734       282.9085 1541.271       263.6437 200.4710 24.57616 226.3911 20.06427 -25.92014      31.72637 
1 1 1 18  11 19 f 85.36353 28.44741 211.5981       166.8306 230.0463       259.4704 198.5966       217.8244 95.06641 35.15081 88.07504 32.26785 6.991379       47.71576 
1 1 1 18  11 20 o 118.4804 27.51283 441.3784       187.5004 431.5114       297.9247 447.8499       241.2766 118.1944 37.93328 118.9188 33.28683 -0.7244186     50.46729 
1 1 1 18  11 21 o 260.9733 14.30190 2020.811       218.0604 2034.437       346.0802 2011.840       280.8157 259.4876 22.97827 259.3528 18.58526 0.1348572      29.55355 
1 1 1 18  11 22 o 128.0411 27.12801 513.9822       197.3706 392.7985       303.6159 602.6719       259.7402 114.3033 38.38151 137.5073 32.69008 -23.20399      50.41608 
1 1 1 18  11 23 o 44.18460 21.51629 -312.4551      179.1848 -524.0628      288.6576 -179.7987      228.5501 55.02203 26.90553 59.40385 27.53907 -4.381821      38.50076 
1 1 1 18  11 24 o 66.37383 27.49566 44.01325       175.0293 -21.10160      293.4446 79.97231       218.0671 78.31698 34.10346 75.94366 30.99128 2.373314       46.08151 
1 1 1 18  11 25 o 385.6159 11.12300 4394.230       251.2889 5407.398       447.9410 3928.955       303.5532 425.2183 18.00289 363.7045 14.25863 61.51385       22.96547 
1 1 1 18  11 26 o 128.7804 23.01265 516.0682       167.4276 527.2245       281.1745 509.9395       208.4023 127.0449 36.06453 126.3237 28.77494 0.7211914      46.13727 
1 1 1 18  11 27 o 69.97852 27.27883 100.8648       161.4017 218.6426       253.0135 20.04969       209.5840 92.11617 34.58241 69.08054 29.43326 23.03562       45.41211 
1 1 1 18  11 28 o 107.8236 25.35124 369.9442       157.5956 216.5628       276.7057 443.5854       191.7309 93.62852 35.92662 117.4767 28.18906 -23.84816      45.66558 
1 1 1 18  11 29 o 48.44511 22.39108 -110.2848      149.4059 -62.61080      278.4658 -129.5561      177.0465 72.63302 32.35360 52.60398 24.33483 20.02904       40.48381 
1 1 1 18  11 30 o 83.28065 27.41902 211.7710       155.1180 123.3959       264.5774 258.0587       191.4790 83.57729 34.12519 91.41551 30.47682 -7.838226      45.75331 
1 1 1 18  11 31 o 53.84241 25.71106 -265.7533      227.3422 -123.0823      248.5460 -996.5170      562.5063 64.16431 29.37086 72.94017 36.03542 -8.775864      46.48870 
1 1 1 18  11 32 o 80.11862 25.70399 202.5452       136.8028 111.9311       222.8596 257.3356       173.2950 76.77051 31.32950 89.36799 28.95303 -12.59748      42.65929 
1 1 1 18  11 33 o 41.42305 19.76275 -159.0156      133.6862 -159.1899      215.4347 -158.9064      170.4803 56.29193 26.31046 48.71317 22.96787 7.578762       34.92511 
1 1 1 18  11 34 o 160.8678 14.34629 788.7436       133.9316 699.9626       206.9038 852.7736       175.7116 146.0246 25.06193 165.3525 18.43224 -19.32790      31.11025 
1 1 1 18  11 35 o 52.80578 22.52947 17.39541       123.0892 -37.95546      210.0623 46.33802       151.8990 62.06569 27.84038 60.47829 25.37598 1.587399       37.66998 
1 1 1 18  11 36 o 47.42879 21.14391 -27.39452      119.1831 -73.19466      205.8858 -4.311724      146.1629 58.78943 26.84267 54.48655 23.88972 4.302883       35.93393 
1 1 1 18  11 37 o 52.89404 22.55180 22.87682       123.1850 -43.04070      206.0607 59.53488       153.6666 60.27495 27.25726 61.30873 25.60972 -1.033775      37.40075 
1 1 1 18  11 38 o 133.5660 17.54956 565.7442       134.1489 631.2044       216.3556 524.8605       170.9837 133.6404 28.47632 124.5009 24.28950 9.139549       37.42834 
1 1 1 18  11 39 o 46.92748 21.50273 -60.93811      133.6716 -159.6311      212.9145 3.270437       171.7349 53.99978 25.52309 58.15189 25.68081 -4.152107      36.20679 
1 1 1 18  11 40 o 98.72319 24.46136 340.0014       140.8984 352.8708       237.7976 333.0390       174.9073 95.62891 33.88309 95.21601 28.84226 0.4129028      44.49652 
1 1 1 18  11 41 o 79.19249 26.64871 219.5003       146.3589 112.1927       253.4078 273.2133       179.2852 74.05873 31.97180 86.46822 29.49117 -12.40948      43.49627 
1 1 1 18  11 42 o 43.14911 21.21704 -309.8096      187.3709 0.000000       0.000000 -309.8096      187.3709 ?        ?        43.14911 21.21704 0.000000       21.21704 
1 1 1 18  11 43 o 80.60535 27.99500 234.0350       161.7939 94.88992       294.0482 294.4532       193.7620 74.86148 33.30247 88.08692 30.63364 -13.22544      45.24903 
1 1 1 18  12 0  o 552.3994 14.57563 9004.522       471.7928 9409.448       663.7139 8590.938       670.7737 563.1010 20.12998 537.6320 21.31582 25.46899       29.31860 
1 1 1 18  12 1  o 203.7109 14.05065 1229.002       166.8371 1327.608       199.9555 1003.059       302.6780 211.4236 16.25070 180.6699 29.58901 30.75362       33.75788 
1 1 1 18  12 2  o 422.3392 12.83709 5258.568       317.5953 5294.302       420.8560 5211.298       484.0376 422.9253 17.00221 418.9091 19.75760 4.016174       26.06603 
1 1 1 18  12 3  o 232.0968 13.36046 1592.575       181.0930 1534.391       221.2740 1710.599       315.1452 227.2758 16.71770 238.7903 22.77885 -11.51453      28.25522 
1 1 1 18  12 4  o 429.7380 20.25320 5489.720       509.0078 0.000000       0.000000 5489.720       509.0078 ?        ?        429.7380 20.25320 0.000000       20.25320 
1 1 1 18  12 5  o 174.8629 17.39855 913.1992       176.0624 984.0375       205.3409 716.5602       342.1179 181.1498 19.64195 150.2908 38.61105 30.85898       43.31997 
1 1 1 18  12 6  o 329.7285 17.02721 3224.277       328.1536 3224.277       328.1536 0.000000       0.000000 329.7285 17.02721 ?        ?        0.000000       17.02721 
1 1 1 18  12 7  o 241.4006 18.19432 1735.983       255.6915 1735.983       255.6915 0.000000       0.000000 241.4006 18.19432 ?        ?        0.000000       18.19432 
1 1 1 18  12 8  o 157.9099 22.36680 757.0441       201.3495 757.0441       201.3495 0.000000       0.000000 157.9099 22.36680 ?        ?        0.000000       22.36680 
1 1 1 18  12 9  o 296.7287 14.02380 2604.765       243.3578 2604.765       243.3578 0.000000       0.000000 296.7287 14.02380 ?        ?        0.000000       14.02380 
1 1 1 18  12 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  12 11 o 473.1288 13.38962 6612.585       371.1599 6612.585       371.1599 0.000000       0.000000 473.1288 13.38962 ?        ?        0.000000       13.38962 
1 1 1 18  12 12 o 637.1750 23.32259 12168.58       870.0667 12168.58       870.0667 0.000000       0.000000 637.1750 23.32259 ?        ?        0.000000       23.32259 
1 1 1 18  12 13 o 657.8965 23.92869 13001.97       921.7285 13001.97       921.7285 0.000000       0.000000 657.8965 23.92869 ?        ?        0.000000       23.92869 
1 1 1 18  12 14 o 393.8770 19.77672 4635.458       455.3798 4635.458       455.3798 0.000000       0.000000 393.8770 19.77672 ?        ?        0.000000       19.77672 
1 1 1 18  12 15 o 286.8175 15.23187 2443.222       255.2992 2443.222       255.2992 0.000000       0.000000 286.8175 15.23187 ?        ?        0.000000       15.23187 
1 1 1 18  12 16 o 406.1801 15.71124 4898.302       373.5596 0.000000       0.000000 4898.302       373.5596 ?        ?        406.1801 15.71124 0.000000       15.71124 
1 1 1 18  12 17 o 61.16081 25.94763 11.17564       161.6855 -207.4812      208.1919 343.4789       256.6549 54.47932 25.59138 106.8780 35.27292 -52.39871      43.57864 
1 1 1 18  12 18 o 58.16097 25.25131 -18.34441      159.8838 -40.70469      216.8951 8.265212       236.6086 66.23139 29.06859 72.85650 31.16405 -6.625107      42.61667 
1 1 1 18  12 19 o 221.2526 13.77313 1452.932       177.8331 1537.999       256.8124 1374.565       246.4928 226.3215 19.53932 213.7776 19.88850 12.54399       27.88077 
1 1 1 18  12 20 o 56.05200 25.64455 -120.2801      189.1634 -665.3835      307.1969 212.6478       240.0781 53.76612 26.57508 91.63738 33.82446 -37.87126      43.01545 
1 1 1 18  12 21 f 445.5805 11.71397 5861.519       305.8468 5541.277       439.5412 6162.120       425.8492 431.4697 17.40568 455.5650 15.96344 -24.09531      23.61756 
1 1 1 18  12 22 o 118.1851 27.26591 439.6585       185.1412 236.3514       297.9232 567.5712       236.3115 98.80255 37.43057 133.7224 30.77166 -34.91983      48.45558 
1 1 1 18  12 23 o 216.7233 15.55339 1400.854       196.3738 1419.666       325.9570 1390.137       246.0349 214.8725 26.42163 214.7920 19.75218 0.8045959E-01  32.98866 
1 1 1 18  12 24 o 302.4427 12.07874 2707.546       213.8163 3291.159       381.7197 2440.713       258.1082 331.0066 19.75319 286.2740 15.43040 44.73251       25.06563 
1 1 1 18  12 25 o 290.8266 14.92457 2519.604       253.7065 0.000000       0.000000 2519.604       253.7065 ?        ?        290.8266 14.92457 0.000000       14.92457 
1 1 1 18  12 26 o 99.07750 27.87779 311.3294       168.7706 251.2759       296.2220 340.1924       205.3614 98.73569 37.34208 103.6002 31.22467 -4.864479      48.67660 
1 1 1 18  12 27 o 150.2142 18.81314 687.7195       162.1134 374.6696       270.9007 862.3705       202.3434 109.2528 36.24562 167.7309 21.03063 -58.47817      41.90504 
1 1 1 18  12 28 o 291.5914 11.07913 2519.588       189.1212 2426.589       318.7582 2570.108       234.9400 283.1574 19.31033 293.7062 13.67690 -10.54877      23.66319 
1 1 1 18  12 29 o 174.9935 16.39378 925.3770       166.2898 1285.602       299.8781 765.4232       199.8274 202.5096 25.83685 156.9885 22.33307 45.52113       34.15126 
1 1 1 18  12 30 o 108.1853 24.80502 375.9414       154.0185 534.6138       262.5403 292.6781       190.1832 125.9430 34.52230 95.70232 30.26225 30.24072       45.90853 
1 1 1 18  12 31 o 59.83737 24.11720 61.14240       130.1799 -136.3599      241.2035 142.3173       154.6352 62.12199 28.61842 73.09640 27.11600 -10.97441      39.42450 
1 1 1 18  12 32 o 136.9589 17.30849 579.4114       135.9279 479.4518       226.3118 635.8212       170.0092 118.0745 31.92303 141.9331 21.06174 -23.85862      38.24496 
1 1 1 18  12 33 f 52.85571 22.92748 -0.3396606     131.5690 -114.5708      222.5751 61.01406       163.1191 59.66801 27.48907 63.98412 26.52811 -4.316109      38.20195 
1 1 1 18  12 34 o 190.5309 12.85355 1097.481       142.7874 1205.975       230.0634 1029.505       182.1053 195.5039 20.36320 182.3493 17.23258 13.15456       26.67624 
1 1 1 18  12 35 o 41.24567 19.61202 -141.4965      129.4083 -235.9344      225.2858 -94.99151      158.0922 53.44960 25.54291 49.84810 23.03714 3.601501       34.39695 
1 1 1 18  12 36 o 110.9768 21.38643 403.2633       134.1470 -16.87289      227.8195 626.2459       165.9707 65.08347 29.10857 139.1552 20.98897 -74.07172      35.88657 
1 1 1 18  12 37 o 123.7585 19.53471 493.7534       137.0875 433.1319       235.5733 524.7943       168.5699 107.3592 33.64426 125.0499 23.85530 -17.69074      41.24332 
1 1 1 18  12 38 o 158.9633 15.51876 787.1365       142.8383 945.3000       243.8072 704.4766       176.2548 166.4250 25.81487 146.8116 21.07391 19.61334       33.32442 
1 1 1 18  12 39 o 151.3911 15.99501 720.0924       139.8707 700.8024       240.0320 730.0101       172.1115 138.1229 30.45221 149.6649 20.11726 -11.54201      36.49714 
1 1 1 18  12 40 o 43.55312 20.54913 -115.8484      136.8942 -12.24484      238.6266 -166.6704      167.1311 64.73743 29.29815 46.17618 22.04879 18.56125       36.66784 
1 1 1 18  12 41 o 50.37242 22.66667 -27.06057      140.4724 -224.3641      252.6229 61.25100       169.0107 55.72018 26.73977 62.01713 26.42769 -6.296947      37.59572 
1 1 1 18  12 42 o 73.68009 26.81246 183.3154       150.0237 532.0538       273.8574 33.78254       179.3259 111.5935 36.41453 60.57277 26.51239 51.02077       45.04359 
1 1 1 18  12 43 f 72.60934 29.36544 156.7693       193.7375 0.000000       0.000000 156.7693       193.7375 ?        ?        72.60934 29.36544 0.000000       29.36544 
1 1 1 18  13 0  o 304.1591 12.01612 2728.396       213.9243 2904.765       268.0267 2418.852       355.0819 313.4289 14.62134 284.5403 21.43579 28.88858       25.94757 
1 1 1 18  13 1  o 503.3568 13.77723 7476.434       406.3309 7930.413       569.6796 7006.295       579.7294 517.0399 18.81833 485.4435 20.40826 31.59634       27.76017 
1 1 1 18  13 2  o 208.6334 13.42604 1288.432       163.4070 1279.318       192.1047 1312.287       310.7836 207.5004 15.90716 207.9468 26.05355 -0.4463501     30.52582 
1 1 1 18  13 3  o 255.1478 12.49454 1922.508       186.3975 2087.603       232.1948 1623.293       312.5913 265.5075 14.97230 232.2916 23.25771 33.21596       27.66027 
1 1 1 18  13 4  o 300.2912 12.22208 2660.777       214.7978 2723.128       271.8444 2557.154       350.4536 303.2597 15.33440 292.7131 20.54494 10.54663       25.63666 
1 1 1 18  13 5  o 159.6169 17.89019 763.8027       164.5944 887.9999       198.2247 488.0495       295.3672 171.8100 20.04885 125.2240 37.37984 46.58600       42.41708 
1 1 1 18  13 6  o 281.1755 16.15064 2345.551       265.2080 2345.551       265.2080 0.000000       0.000000 281.1755 16.15064 ?        ?        0.000000       16.15064 
1 1 1 18  13 7  f 338.5030 12.33423 3381.686       244.4546 3381.686       244.4546 0.000000       0.000000 338.5030 12.33423 ?        ?        0.000000       12.33423 
1 1 1 18  13 8  o 200.7368 16.77666 1201.211       195.7026 1201.211       195.7026 0.000000       0.000000 200.7368 16.77666 ?        ?        0.000000       16.77666 
1 1 1 18  13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  13 10 o 282.1313 23.43077 2397.229       384.1978 2397.229       384.1978 0.000000       0.000000 282.1313 23.43077 ?        ?        0.000000       23.43077 
1 1 1 18  13 11 o 246.2233 15.96785 1802.706       229.3387 1802.706       229.3387 0.000000       0.000000 246.2233 15.96785 ?        ?        0.000000       15.96785 
1 1 1 18  13 12 o 1096.514 37.81028 37353.30       2427.864 37353.30       2427.864 0.000000       0.000000 1096.514 37.81028 ?        ?        0.000000       37.81028 
1 1 1 18  13 13 o 463.1915 19.61227 6404.982       531.5632 6404.982       531.5632 0.000000       0.000000 463.1915 19.61227 ?        ?        0.000000       19.61227 
1 1 1 18  13 14 o 297.9579 15.03313 2635.429       261.8481 2635.429       261.8481 0.000000       0.000000 297.9579 15.03313 ?        ?        0.000000       15.03313 
1 1 1 18  13 15 o 423.6120 19.80055 5365.456       490.5608 5365.456       490.5608 0.000000       0.000000 423.6120 19.80055 ?        ?        0.000000       19.80055 
1 1 1 18  13 16 o 168.2278 23.00940 864.1117       221.0716 864.1117       221.0716 0.000000       0.000000 168.2278 23.00940 ?        ?        0.000000       23.00940 
1 1 1 18  13 17 o 424.8647 9.863305 5316.367       245.7670 5067.537       312.6459 5718.813       397.6072 413.9693 12.89329 438.9984 15.46749 -25.02902      20.13654 
1 1 1 18  13 18 o 105.6541 26.63363 350.4337       164.9577 348.2157       228.4873 352.8483       238.3992 106.3045 33.10744 107.2208 33.87899 -0.9162827     47.36970 
1 1 1 18  13 19 o 131.9905 23.70251 538.2075       176.7367 409.1269       252.2206 662.7294       247.7268 114.3696 34.63311 145.0177 30.11337 -30.64815      45.89409 
1 1 1 18  13 20 o 394.7530 10.83604 4596.662       250.6315 4274.974       334.5723 5008.027       378.3427 379.6295 15.05712 410.7248 15.73577 -31.09531      21.77914 
1 1 1 18  13 21 o 56.90418 26.02951 -122.3444      194.7636 -113.8228      307.3830 -128.0604      251.7479 74.94234 33.64212 66.08041 29.98037 8.861938       45.06234 
1 1 1 18  13 22 o 96.41702 30.09292 284.5968       188.6638 204.1135       316.6854 328.8770       234.8980 97.53690 38.15594 103.9879 33.71010 -6.450989      50.91410 
1 1 1 18  13 23 o 165.8109 19.84496 833.7747       189.1525 752.3237       309.6010 882.2849       238.9301 152.4895 35.31445 169.1289 24.82670 -16.63942      43.16799 
1 1 1 18  13 24 o 277.0368 11.98654 2273.166       194.2912 2411.183       334.9760 2203.195       238.5095 282.7555 20.33586 271.9633 15.01180 10.79221       25.27650 
1 1 1 18  13 25 o 307.8596 11.52360 2806.469       207.6941 3115.991       368.2959 2662.133       251.5002 321.5183 19.62521 299.0155 14.38367 22.50287       24.33185 
1 1 1 18  13 26 o 210.6004 13.88544 1323.128       170.5452 1287.370       288.8078 1342.273       211.3252 204.0687 24.62888 211.1720 17.21252 -7.103256      30.04750 
1 1 1 18  13 27 o 206.8001 14.05772 1277.601       169.4833 1474.841       305.6957 1190.067       203.6476 218.4919 24.26506 198.4890 17.67893 20.00287       30.02229 
1 1 1 18  13 28 o 167.4966 16.80622 848.6996       162.8640 1303.579       297.0800 653.2493       194.7349 204.4554 25.31598 144.4290 23.81963 60.02647       34.76023 
1 1 1 18  13 29 o 136.3080 20.45640 575.8234       158.4891 340.4382       290.4068 675.6690       189.1393 105.2099 37.42737 147.0366 22.66037 -41.82662      43.75272 
1 1 1 18  13 30 o 72.37403 26.67288 139.0829       149.1917 140.0337       290.9117 138.7435       173.7853 86.78710 35.64884 74.90388 28.53820 11.88322       45.66474 
1 1 1 18  13 31 o 102.9042 22.76569 341.1663       133.7488 408.4095       246.9704 313.2605       159.0991 109.4291 34.47027 97.52242 26.93055 11.90667       43.74305 
1 1 1 18  13 32 o 46.08115 20.99798 -63.68122      125.1790 -174.8409      222.5252 -12.21986      151.4071 56.61371 26.55070 55.45921 24.31540 1.154507       36.00248 
1 1 1 18  13 33 o 146.8878 17.18160 669.0988       145.2198 469.8175       242.0337 781.1935       181.5244 114.8333 33.72580 157.3426 20.13216 -42.50926      39.27765 
1 1 1 18  13 34 o 62.88950 28.09721 -29.52853      211.6600 -60.63590      232.3590 122.1031       513.0064 63.69879 28.86119 96.77943 43.45189 -33.08064      52.16354 
1 1 1 18  13 35 o 68.18713 24.66941 137.0616       126.7532 125.4199       243.9220 141.3681       148.3566 77.55222 32.32038 70.59666 26.48585 6.955559       41.78645 
1 1 1 18  13 36 o 72.45621 24.82789 168.0510       127.1004 30.20820       247.8931 217.2112       148.0400 70.18887 30.93115 80.53535 26.79646 -10.34648      40.92415 
1 1 1 18  13 37 o 157.7507 14.64737 769.0334       133.9653 625.0729       252.1628 825.6428       158.1260 129.1934 33.12639 162.1821 16.87083 -32.98871      37.17503 
1 1 1 18  13 38 o 45.15681 20.83081 -71.55717      128.4045 -88.08766      255.1560 -65.95108      148.5911 63.13583 29.20931 49.33896 22.63124 13.79687       36.95074 
1 1 1 18  13 39 o 92.18758 25.60099 299.9302       143.3307 145.1675       263.3892 365.0414       170.8413 77.79976 33.06659 100.2930 27.98679 -22.49321      43.32043 
1 1 1 18  13 40 o 56.48676 24.13695 38.26820       141.6687 -152.6525      249.1211 129.5201       172.2285 58.50601 27.63945 69.19154 27.79146 -10.68554      39.19572 
1 1 1 18  13 41 o 55.05375 23.70361 30.53409       138.5661 197.4414       252.7967 -41.15066      165.6712 79.96590 33.07758 53.22273 24.21507 26.74317       40.99385 
1 1 1 18  13 42 o 67.25879 25.36374 140.7304       136.4350 -60.26587      262.7265 214.9497       159.6498 63.77778 29.55276 78.03313 27.75139 -14.25535      40.54017 
1 1 1 18  13 43 o 140.9959 18.69102 651.3663       150.7541 693.6357       292.8745 636.1297       175.8380 126.1843 37.10994 135.9653 22.86171 -9.781013      43.58676 
1 1 1 18  14 0  o 413.3661 12.38380 5039.583       299.8812 5321.118       405.5404 4699.901       445.4565 423.8711 16.34423 397.5760 19.16086 26.29510       25.18477 
1 1 1 18  14 1  o 308.0082 11.53917 2797.677       208.0745 2888.845       261.8735 2641.556       342.6878 312.5221 14.32574 297.6516 19.74246 14.87054       24.39245 
1 1 1 18  14 2  o 403.3592 12.37076 4799.085       292.2975 5200.239       402.2335 4350.206       425.4883 418.9774 16.40125 382.4648 19.02881 36.51251       25.12164 
1 1 1 18  14 3  o 55.37681 23.04677 22.05912       123.7793 28.26972       137.7542 -3.975835      282.0436 58.76343 24.37234 78.80335 33.87200 -20.03992      41.72917 
1 1 1 18  14 4  o 220.9814 13.31196 1445.584       171.7235 1468.479       205.7932 1393.092       311.6081 222.2903 15.89037 214.2954 25.27990 7.994858       29.85929 
1 1 1 18  14 5  o 456.6788 13.27192 6157.626       355.0866 6694.669       495.5509 5590.908       509.0580 474.9088 17.82374 433.2169 20.09073 41.69189       26.85746 
1 1 1 18  14 6  o 337.2771 15.74026 3371.813       310.4915 3371.813       310.4915 0.000000       0.000000 337.2771 15.74026 ?        ?        0.000000       15.74026 
1 1 1 18  14 7  o 289.1063 20.59188 2500.311       346.8579 2500.311       346.8579 0.000000       0.000000 289.1063 20.59188 ?        ?        0.000000       20.59188 
1 1 1 18  14 8  o 218.9284 14.50408 1422.511       185.1772 1422.511       185.1772 0.000000       0.000000 218.9284 14.50408 ?        ?        0.000000       14.50408 
1 1 1 18  14 9  o 311.0899 12.94293 2860.904       235.6238 2860.904       235.6238 0.000000       0.000000 311.0899 12.94293 ?        ?        0.000000       12.94293 
1 1 1 18  14 10 o 105.2035 26.75092 346.3875       165.3969 346.3875       165.3969 0.000000       0.000000 105.2035 26.75092 ?        ?        0.000000       26.75092 
1 1 1 18  14 11 o 323.2157 21.94485 3138.214       413.5162 3138.214       413.5162 0.000000       0.000000 323.2157 21.94485 ?        ?        0.000000       21.94485 
1 1 1 18  14 12 o 730.2681 25.78250 16102.88       1102.493 16102.88       1102.493 0.000000       0.000000 730.2681 25.78250 ?        ?        0.000000       25.78250 
1 1 1 18  14 13 o 270.6280 19.84753 2195.833       312.8231 2195.833       312.8231 0.000000       0.000000 270.6280 19.84753 ?        ?        0.000000       19.84753 
1 1 1 18  14 14 o 509.3533 20.23978 7759.674       603.4064 7759.674       603.4064 0.000000       0.000000 509.3533 20.23978 ?        ?        0.000000       20.23978 
1 1 1 18  14 15 o 455.3797 9.859669 6107.646       263.3216 6072.412       339.2976 6161.006       417.5491 453.2147 12.77792 455.5920 15.65043 -2.377319      20.20423 
1 1 1 18  14 16 o 157.9771 19.14923 754.2032       173.7996 407.6919       220.7065 1319.822       281.9801 113.6249 31.84758 208.3582 23.48446 -94.73328      39.57004 
1 1 1 18  14 17 o 305.8376 11.17662 2761.789       200.1340 2345.629       256.1906 3413.418       320.5779 280.8793 15.61368 338.8302 16.17922 -57.95090      22.48453 
1 1 1 18  14 18 o 237.0627 13.79728 1667.285       190.9969 1631.291       255.0803 1713.218       288.1544 233.3258 18.79979 238.5891 20.80097 -5.263275      28.03769 
1 1 1 18  14 19 o 301.3285 12.09367 2683.985       213.2876 2968.667       301.3389 2398.185       301.9305 315.9197 16.31934 283.3350 18.26740 32.58472       24.49528 
1 1 1 18  14 20 o 45.02570 21.78184 -278.0451      175.8266 -355.6875      250.6626 -202.8398      246.6974 55.03572 26.46936 61.22988 28.46295 -6.194160      38.86858 
1 1 1 18  14 21 o 390.3969 10.61021 4496.540       242.7047 4468.313       332.4958 4528.735       355.0896 388.1080 14.63395 390.4423 15.53813 -2.334290      21.34446 
1 1 1 18  14 22 o 113.4465 28.18552 407.6841       186.6951 945.6069       316.6623 121.0844       231.1395 172.5214 32.48869 81.34013 32.35468 91.18128       45.85128 
1 1 1 18  14 23 o 73.32538 28.51983 110.4227       176.1100 120.9136       299.8321 104.8971       217.6013 88.83369 36.30627 78.03270 31.27423 10.80099       47.91892 
1 1 1 18  14 24 o 270.4153 12.44868 2169.201       196.8967 2432.756       362.7493 2059.120       234.4375 283.0529 22.02510 262.6817 15.28363 20.37115       26.80848 
1 1 1 18  14 25 o 228.2299 13.64927 1551.656       181.8627 2055.363       330.2192 1332.365       217.8829 259.8183 21.87412 210.2388 17.83921 49.57944       28.22613 
1 1 1 18  14 26 o 94.55411 27.24485 283.0517       159.3065 251.5474       298.5547 295.5922       188.3630 98.54400 37.43832 96.97614 30.03729 1.567863       47.99861 
1 1 1 18  14 27 o 61.16064 25.15174 45.76121       145.0310 318.1484       276.6254 -57.49411      170.3158 103.1815 36.54615 56.32956 25.18261 46.85191       44.38226 
1 1 1 18  14 28 o 262.2765 10.96808 2040.931       168.3375 1932.066       317.2727 2083.585       198.5963 250.9189 21.77538 264.4397 12.84383 -13.52084      25.28105 
1 1 1 18  14 29 o 41.73677 20.03653 -193.6072      142.1334 -335.8270      280.8427 -144.6371      164.7967 59.25356 28.37116 49.11202 22.97316 10.14154       36.50601 
1 1 1 18  14 30 o 286.5490 18.26275 2506.304       305.3159 2506.304       305.3159 0.000000       0.000000 286.5490 18.26275 ?        ?        0.000000       18.26275 
1 1 1 18  14 31 o 125.8580 18.44820 493.8271       132.1299 776.6979       244.8290 377.5818       156.9483 153.1682 28.29696 107.1303 25.37350 46.03792       38.00701 
1 1 1 18  14 32 o 69.88808 24.98646 142.0986       129.5891 -49.45364      232.1740 228.7782       156.1810 64.91725 29.18207 84.01646 27.50486 -19.09921      40.10125 
1 1 1 18  14 33 o 177.9692 13.56320 961.3620       140.4993 1188.583       243.1347 847.4465       172.1527 193.0760 21.85566 164.8625 18.10239 28.21349       28.37898 
1 1 1 18  14 34 o 132.2041 17.82551 548.6435       134.6910 117.6021       245.8932 733.4136       160.9915 77.48038 32.38259 152.8657 18.32195 -75.38530      37.20654 
1 1 1 18  14 35 o 156.3067 26.33027 824.8790       232.8008 797.4061       264.8585 918.2063       488.1647 149.7848 31.16642 141.2102 48.64782 8.574615       57.77505 
1 1 1 18  14 36 o 60.81495 24.05753 86.41646       127.1283 389.8268       252.8618 -16.21766      147.0666 101.8790 35.01569 53.24698 23.62715 48.63200       42.24146 
1 1 1 18  14 37 o 113.6262 20.34747 422.6327       130.6141 652.9056       254.6329 340.4092       152.1567 131.7956 33.01598 98.74564 25.94230 33.04997       41.98878 
1 1 1 18  14 38 o 54.81413 23.46004 28.94750       134.2259 176.9834       266.6279 -21.30513      155.3465 80.73467 33.72985 53.69362 24.02400 27.04105       41.41082 
1 1 1 18  14 39 o 135.3047 18.47761 591.4843       142.7984 784.2108       265.5185 513.0555       169.3799 143.7102 32.29259 121.7242 24.57426 21.98603       40.57962 
1 1 1 18  14 40 o 94.62325 24.39180 314.7386       136.2195 9.933026       245.0306 451.0771       163.8770 66.49837 29.92866 113.0812 25.33944 -46.58283      39.21494 
1 1 1 18  14 41 o 77.60347 25.54412 212.0908       134.6323 388.0735       257.3572 145.7835       157.9727 97.18993 35.15324 69.38551 27.00459 27.80441       44.32830 
1 1 1 18  14 42 o 57.31717 23.88445 61.77531       133.1842 157.4746       276.6830 32.91354       151.9461 77.65363 33.46498 56.92960 24.66708 20.72403       41.57367 
1 1 1 18  15 0  o 315.6199 11.52189 2938.462       212.9163 3184.539       274.0121 2563.479       338.2521 328.0786 14.27519 293.0359 19.79822 35.04272       24.40800 
1 1 1 18  15 1  f 281.4123 20.02220 2366.052       328.2913 0.000000       0.000000 2366.052       328.2913 ?        ?        281.4123 20.02220 0.000000       20.02220 
1 1 1 18  15 2  o 357.0097 18.70668 3793.385       390.3097 0.000000       0.000000 3793.385       390.3097 ?        ?        357.0097 18.70668 0.000000       18.70668 
1 1 1 18  15 3  o 171.8811 13.87249 877.7820       138.6534 847.4259       160.2785 968.0588       276.4017 168.4145 16.43620 177.4297 27.44743 -9.015152      31.99234 
1 1 1 18  15 4  o 151.8359 15.09979 688.1330       132.6807 557.6401       152.3293 1098.346       270.0816 135.5986 19.73338 189.9350 24.84069 -54.33643      31.72485 
1 1 1 18  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  15 6  o 103.3465 21.21804 329.7080       124.2928 282.1035       136.0197 570.6221       305.9909 95.23122 24.28280 133.9396 37.48406 -38.70838      44.66217 
1 1 1 18  15 7  o 505.7769 12.74213 7552.908       377.6641 7552.908       377.6641 0.000000       0.000000 505.7769 12.74213 ?        ?        0.000000       12.74213 
1 1 1 18  15 8  o 118.9716 22.39740 436.3951       150.5430 436.3951       150.5430 0.000000       0.000000 118.9716 22.39740 ?        ?        0.000000       22.39740 
1 1 1 18  15 9  o 228.8199 14.32065 1554.210       191.2160 1554.210       191.2160 0.000000       0.000000 228.8199 14.32065 ?        ?        0.000000       14.32065 
1 1 1 18  15 10 o 178.5188 16.75584 953.6850       173.3781 953.6850       173.3781 0.000000       0.000000 178.5188 16.75584 ?        ?        0.000000       16.75584 
1 1 1 18  15 11 o 485.3204 18.86756 7024.210       536.0024 7024.210       536.0024 0.000000       0.000000 485.3204 18.86756 ?        ?        0.000000       18.86756 
1 1 1 18  15 12 o 486.8144 19.19291 7073.424       546.8937 7073.424       546.8937 0.000000       0.000000 486.8144 19.19291 ?        ?        0.000000       19.19291 
1 1 1 18  15 13 o 470.2426 17.65186 6584.834       485.9497 6584.834       485.9497 0.000000       0.000000 470.2426 17.65186 ?        ?        0.000000       17.65186 
1 1 1 18  15 14 o 235.9001 16.18863 1658.753       222.6117 1658.753       222.6117 0.000000       0.000000 235.9001 16.18863 ?        ?        0.000000       16.18863 
1 1 1 18  15 15 o 248.2077 15.55302 1833.276       225.2642 1833.276       225.2642 0.000000       0.000000 248.2077 15.55302 ?        ?        0.000000       15.55302 
1 1 1 18  15 16 o 442.9746 13.12219 5803.613       340.5309 5803.613       340.5309 0.000000       0.000000 442.9746 13.12219 ?        ?        0.000000       13.12219 
1 1 1 18  15 17 o 302.3358 11.80459 2701.013       208.9082 2831.170       278.0541 2532.312       316.5585 308.7275 15.40557 291.0587 18.64285 17.66888       24.18444 
1 1 1 18  15 18 o 252.5487 13.76919 1891.429       203.1694 1684.357       269.8892 2162.240       308.6446 236.8937 19.60120 268.5549 19.73415 -31.66122      27.81445 
1 1 1 18  15 19 o 48.60376 23.10388 -217.2161      179.3260 -529.9393      255.6590 85.65600       251.6001 49.86384 24.57018 80.98994 33.19747 -31.12610      41.30091 
1 1 1 18  15 20 o 33.71226 17.09407 -619.9760      172.7031 -705.4624      245.2773 -535.9217      243.2140 43.62347 21.89777 47.68734 23.58431 -4.063873      32.18279 
1 1 1 18  15 21 o 59.32386 25.93978 -27.78663      171.2859 -23.60696      251.4375 -31.40586      233.9738 72.45126 31.55846 69.34653 30.31984 3.104721       43.76333 
1 1 1 18  15 22 o 383.1947 10.26264 4333.600       230.4294 4319.001       324.6242 4348.426       327.1431 381.3218 14.54238 382.5989 14.60636 -1.277069      20.61132 
1 1 1 18  15 23 o 196.4295 15.30993 1154.002       174.9803 1504.105       293.6707 961.2893       217.8800 221.9521 22.88847 177.4729 21.36220 44.47916       31.30856 
1 1 1 18  15 24 o 50.34628 23.36533 -132.5593      165.1999 188.0477       315.7033 -253.4487      193.8594 95.00397 37.80531 49.28780 23.59198 45.71618       44.56257 
1 1 1 18  15 25 o 480.4296 10.93026 6824.742       307.9717 7116.707       498.3836 6644.386       391.7097 487.1841 17.47124 472.5177 14.15094 14.66641       22.48318 
1 1 1 18  15 26 o 133.3398 20.35349 548.3320       154.1297 522.4691       295.3954 558.0073       180.6736 125.5540 37.35825 133.3479 23.98418 -7.793915      44.39459 
1 1 1 18  15 27 o 165.6360 15.48231 826.6965       148.6551 1392.726       314.4180 663.7437       168.7014 210.9707 25.95841 146.8539 20.11578 64.11687       32.84027 
1 1 1 18  15 28 o 92.63637 25.39736 274.9944       142.0780 449.0894       318.2654 231.6650       158.7771 116.6772 39.29733 86.28209 27.69254 30.39507       48.07450 
1 1 1 18  15 29 o 104.2243 22.92487 347.5485       136.3118 49.80376       289.3687 432.4616       154.5314 79.99317 34.34509 116.3477 23.45772 -36.35452      41.59146 
1 1 1 18  15 30 o 293.0406 10.12000 2552.582       173.6627 2793.858       300.0162 2431.004       212.9687 302.9632 16.95274 284.8248 12.78190 18.13840       21.23140 
1 1 1 18  15 31 o 140.6424 16.23922 608.5283       131.4896 694.9504       241.8323 572.2556       156.6723 143.3060 29.74866 134.5158 20.50712 8.790207       36.13205 
1 1 1 18  15 32 o 49.74500 21.60333 -2.666371      117.0910 -168.2125      219.9180 62.83014       138.3280 56.21630 26.37400 60.48695 24.68331 -4.270649      36.12276 
1 1 1 18  15 33 o 83.19853 24.02989 229.0258       123.7901 343.8833       239.7548 187.2766       144.5478 99.23406 34.09648 76.99603 26.47404 22.23804       43.16763 
1 1 1 18  15 34 o 62.72807 24.06909 100.1912       124.1931 -0.6114627     243.1132 135.7857       144.4656 68.31662 30.34239 69.53027 26.12557 -1.213654      40.04005 
1 1 1 18  15 35 o 119.7992 20.14713 464.6553       136.5340 547.0492       254.2947 431.2827       161.8396 120.4013 34.33678 112.5078 25.15921 7.893501       42.56760 
1 1 1 18  15 36 o 40.48817 19.37696 -153.1848      130.6661 -11.37150      243.9139 -210.2627      154.7434 66.69550 29.95188 42.28855 20.45202 24.40695       36.26845 
1 1 1 18  15 37 o 126.0689 18.01580 508.4713       129.4190 942.5715       262.4143 368.9474       148.7705 163.5488 28.38737 103.2775 24.86224 60.27132       37.73557 
1 1 1 18  15 38 o 74.92428 24.97234 189.8133       128.5599 -89.20463      263.4530 277.0207       147.2867 63.56442 29.50211 88.35789 26.40096 -24.79347      39.59021 
1 1 1 18  15 39 o 158.8703 14.53746 786.5020       133.9511 901.6580       260.2225 744.9886       156.2410 157.4059 29.26549 152.3947 17.81721 5.011230       34.26254 
1 1 1 18  15 40 o 60.79155 24.23673 92.85380       129.9948 152.5855       259.6087 72.86521       150.1785 76.95097 32.77143 60.83207 25.35689 16.11890       41.43595 
1 1 1 18  15 41 o 97.74122 26.94375 350.8604       159.4114 0.000000       0.000000 350.8604       159.4114 ?        ?        97.74122 26.94375 0.000000       26.94375 
1 1 1 18  15 42 o 65.44580 25.64766 124.2809       143.2994 273.4622       286.1362 74.33904       165.5573 86.08388 35.35697 62.22881 26.32207 23.85507       44.07910 
1 1 1 18  16 0  o 357.9659 11.52171 3780.101       241.5700 3687.330       308.1235 3928.082       389.1544 352.8270 14.92432 363.2735 18.32495 -10.44650      23.63343 
1 1 1 18  16 1  o 60.84027 22.92389 82.12294       111.3962 116.6501       122.9843 -75.62686      262.8777 67.62801 24.32182 71.19891 31.59102 -3.570900      39.86908 
1 1 1 18  16 2  o 390.5920 12.10704 4502.811       277.0048 4593.045       364.9564 4380.182       425.4534 393.5891 15.84294 383.4278 18.97884 10.16122       24.72236 
1 1 1 18  16 3  o 149.2322 35.00835 709.0482       301.0763 0.000000       0.000000 709.0482       301.0763 ?        ?        149.2322 35.00835 0.000000       35.00835 
1 1 1 18  16 4  o 391.6166 12.35919 4528.260       283.5028 4930.733       377.8235 4009.663       428.8793 407.7838 15.82829 366.4179 20.03380 41.36584       25.53209 
1 1 1 18  16 5  o 240.1409 10.86287 1702.328       152.5932 1764.978       172.1481 1472.610       329.6406 244.3442 12.05012 219.7552 26.08537 24.58902       28.73416 
1 1 1 18  16 6  o 428.2825 19.86140 5475.688       497.5154 0.000000       0.000000 5475.688       497.5154 ?        ?        428.2825 19.86140 0.000000       19.86140 
1 1 1 18  16 7  o 264.0819 12.53853 2062.933       193.6393 2062.933       193.6393 0.000000       0.000000 264.0819 12.53853 ?        ?        0.000000       12.53853 
1 1 1 18  16 8  o 346.8684 11.79927 3553.243       239.6833 3553.243       239.6833 0.000000       0.000000 346.8684 11.79927 ?        ?        0.000000       11.79927 
1 1 1 18  16 9  o 174.2642 16.09892 907.9575       162.6748 907.9575       162.6748 0.000000       0.000000 174.2642 16.09892 ?        ?        0.000000       16.09892 
1 1 1 18  16 10 o 266.7010 26.44235 2169.296       408.1552 2169.296       408.1552 0.000000       0.000000 266.7010 26.44235 ?        ?        0.000000       26.44235 
1 1 1 18  16 11 o 263.1439 26.49888 2113.845       403.3880 2113.845       403.3880 0.000000       0.000000 263.1439 26.49888 ?        ?        0.000000       26.49888 
1 1 1 18  16 12 o 470.5608 13.18099 6549.668       363.4012 6549.668       363.4012 0.000000       0.000000 470.5608 13.18099 ?        ?        0.000000       13.18099 
1 1 1 18  16 13 o 163.3053 19.86870 807.1718       186.3803 807.1718       186.3803 0.000000       0.000000 163.3053 19.86870 ?        ?        0.000000       19.86870 
1 1 1 18  16 14 o 266.9983 21.30823 2146.250       330.8951 2146.250       330.8951 0.000000       0.000000 266.9983 21.30823 ?        ?        0.000000       21.30823 
1 1 1 18  16 15 o 447.2817 10.00163 5893.038       262.3629 5845.450       333.2087 5970.672       425.5933 444.6581 12.79061 448.2989 16.21408 -3.640839      20.65178 
1 1 1 18  16 16 o 130.7926 29.82707 540.8302       223.7053 540.8302       223.7053 0.000000       0.000000 130.7926 29.82707 ?        ?        0.000000       29.82707 
1 1 1 18  16 17 o 374.3649 10.85575 4134.656       238.0930 4300.799       317.4528 3921.030       359.9696 380.9989 14.23210 362.9764 16.95660 18.02246       22.13773 
1 1 1 18  16 18 o 63.31069 27.23216 -5.120583      182.5514 -35.04530      245.5701 31.84216       272.9245 71.01094 31.05451 79.52991 33.72512 -8.518974      45.84502 
1 1 1 18  16 19 o 316.5807 10.62104 2957.922       196.9185 3239.248       281.7252 2689.178       275.3538 330.3901 14.57533 300.6909 15.66827 29.69916       21.39941 
1 1 1 18  16 20 o 56.07049 24.87689 -49.04733      162.9851 -200.9220      248.2891 65.94805       216.0505 61.44048 28.55873 74.44934 30.66597 -13.00886      41.90468 
1 1 1 18  16 21 o 82.30308 28.64338 189.8156       169.4186 144.8777       255.2090 225.2225       226.5341 86.09666 34.07745 91.30257 32.98682 -5.205910      47.42787 
1 1 1 18  16 22 o 318.7376 10.96830 3003.683       204.7273 2886.699       302.5866 3102.447       278.0264 310.8008 16.66124 322.8925 14.72046 -12.09174      22.23260 
1 1 1 18  16 23 o 46.06740 21.74696 -164.9338      153.6926 -68.88960      261.6954 -215.5032      189.8911 70.46464 31.37745 50.40818 23.90747 20.05646       39.44758 
1 1 1 18  16 24 o 186.8070 15.49735 1046.977       168.2591 1352.787       281.6952 877.3529       209.7964 209.7648 23.29003 169.0254 21.66113 40.73938       31.80614 
1 1 1 18  16 25 o 61.79396 25.67603 38.26055       153.2789 -180.1336      304.8253 112.1693       177.3284 70.03800 32.23141 73.16004 28.57177 -3.122040      43.07215 
1 1 1 18  16 26 o 366.8820 10.74655 3985.985       230.9817 3928.501       400.9045 4014.548       282.6007 360.4943 19.02975 367.3105 13.13982 -6.816193      23.12545 
1 1 1 18  16 27 o 290.9641 10.35774 2508.773       176.4662 2873.250       358.1452 2391.918       202.7912 307.1537 19.99027 283.5150 12.22487 23.63873       23.43200 
1 1 1 18  16 28 o 64.10222 24.67921 92.31399       130.8741 -52.59078      288.7953 129.7632       146.8149 73.75344 32.89426 70.98518 26.40462 2.768257       42.18099 
1 1 1 18  16 29 o 39.70929 18.80308 -127.7052      116.5596 -34.85428      261.8759 -150.6443      130.1638 70.73821 31.45044 41.36753 19.66974 29.37068       37.09486 
1 1 1 18  16 30 o 104.9299 20.40342 350.7736       121.0377 290.0735       225.8995 375.2171       143.3514 94.60271 33.06525 107.4324 23.41459 -12.82966      40.51609 
1 1 1 18  16 31 o 254.6511 10.24003 1934.383       152.6198 1541.102       278.8269 2102.617       182.3643 220.6643 21.83107 264.7956 11.77242 -44.13123      24.80293 
1 1 1 18  16 32 o 79.39840 24.13370 206.2496       122.3163 499.3735       247.7656 111.7883       140.6508 117.6126 34.00411 66.50035 25.58912 51.11229       42.55682 
1 1 1 18  16 33 o 45.86527 20.75642 -47.79189      119.7554 -232.5584      242.5634 11.76010       137.7088 56.09759 26.72386 54.70032 23.59144 1.397266       35.64717 
1 1 1 18  16 34 o 73.84545 23.83325 177.6476       117.4949 197.9402       246.5610 171.6855       133.6452 83.42884 33.33991 73.53479 25.44856 9.894051       41.94257 
1 1 1 18  16 35 o 66.36095 24.11715 131.2837       121.3221 26.23027       243.2833 166.0569       139.9684 69.18945 30.56001 72.66462 25.96910 -3.475174      40.10372 
1 1 1 18  16 36 o 58.06832 23.61580 67.21593       126.1061 -188.0166      247.4158 156.7931       146.5744 57.61186 27.31392 71.47328 26.42068 -13.86142      38.00135 
1 1 1 18  16 37 o 135.2705 17.42770 582.9092       135.0499 860.6650       263.2789 483.7294       157.3245 153.8447 30.25847 119.4536 23.29376 34.39111       38.18605 
1 1 1 18  16 38 o 80.15700 31.86522 205.3901       224.0710 319.8036       252.7345 -214.9270      484.4115 91.88987 34.54935 76.65463 36.84880 15.23524       50.51229 
1 1 1 18  16 39 o 68.37221 24.77506 149.5179       127.9056 200.3076       258.7539 133.0947       147.1391 80.89147 33.46318 67.47411 26.11703 13.41737       42.44860 
1 1 1 18  16 40 o 87.66926 23.52800 269.9107       123.4845 427.3308       290.7615 235.2697       136.3962 100.0519 37.16996 81.22054 25.62100 18.83140       45.14468 
1 1 1 18  16 41 f 43.72789 20.50621 -95.72890      132.7030 -477.3659      300.7149 -3.436697      147.8810 52.80012 26.13301 53.19598 23.64350 -0.3958588     35.24130 
1 1 1 18  17 0  o 307.8181 11.50966 2797.223       207.4156 3147.099       264.7495 2241.200       333.7523 326.0441 13.87722 273.2726 20.98523 52.77142       25.15864 
1 1 1 18  17 1  o 174.6030 12.64277 904.3871       128.5858 938.6158       144.6714 775.6313       280.5892 177.6667 13.99735 156.9479 31.57834 20.71887       34.54153 
1 1 1 18  17 2  o 261.1733 11.53467 2014.969       176.2430 1920.100       205.4764 2279.042       342.8170 254.5301 13.81668 275.4324 21.39007 -20.90228      25.46440 
1 1 1 18  17 3  o 142.6698 14.57179 608.2114       120.2154 642.1786       134.8334 476.5468       265.4617 146.3747 15.96504 122.7108 35.11087 23.66389       38.57014 
1 1 1 18  17 4  o 33.17278 15.92242 -129.1760      89.66827 -154.6044      95.01326 77.94499       271.1674 33.03059 15.98695 82.94432 34.27912 -49.91373      37.82381 
1 1 1 18  17 5  o 198.9957 19.51118 1190.830       224.7840 1568.427       344.4235 910.6652       296.6781 226.5176 26.42186 170.4694 30.80848 56.04816       40.58666 
1 1 1 18  17 6  o 249.3488 10.72135 1835.668       156.4196 1871.873       179.1268 1719.406       320.9918 251.5543 12.17785 238.3024 23.26347 13.25191       26.25812 
1 1 1 18  17 7  o 499.4422 12.87378 7372.977       376.7728 7372.977       376.7728 0.000000       0.000000 499.4422 12.87378 ?        ?        0.000000       12.87378 
1 1 1 18  17 8  o 56.57303 22.80151 45.45229       116.3635 45.45229       116.3635 0.000000       0.000000 56.57303 22.80151 ?        ?        0.000000       22.80151 
1 1 1 18  17 9  o 278.7598 12.60146 2299.657       205.4836 2299.657       205.4836 0.000000       0.000000 278.7598 12.60146 ?        ?        0.000000       12.60146 
1 1 1 18  17 10 o 353.2415 12.20664 3688.408       252.5022 3688.408       252.5022 0.000000       0.000000 353.2415 12.20664 ?        ?        0.000000       12.20664 
1 1 1 18  17 11 o 112.1118 22.66245 390.0676       143.8775 390.0676       143.8775 0.000000       0.000000 112.1118 22.66245 ?        ?        0.000000       22.66245 
1 1 1 18  17 12 o 105.3438 27.08530 348.9056       168.2610 348.9056       168.2610 0.000000       0.000000 105.3438 27.08530 ?        ?        0.000000       27.08530 
1 1 1 18  17 13 o 501.6400 19.28307 7514.981       566.2515 7514.981       566.2515 0.000000       0.000000 501.6400 19.28307 ?        ?        0.000000       19.28307 
1 1 1 18  17 14 o 157.8866 21.35273 758.6329       192.6560 758.6329       192.6560 0.000000       0.000000 157.8866 21.35273 ?        ?        0.000000       21.35273 
1 1 1 18  17 15 o 145.2949 21.15049 643.7610       174.9408 518.8116       208.6381 939.6075       321.0406 128.3460 28.46400 172.3303 32.96568 -43.98430      43.55382 
1 1 1 18  17 16 o 277.6371 15.91478 2293.229       258.0508 2293.229       258.0508 0.000000       0.000000 277.6371 15.91478 ?        ?        0.000000       15.91478 
1 1 1 18  17 17 o 233.1011 14.00379 1613.292       190.5606 1454.330       245.6972 1853.272       301.8853 220.0471 19.23163 248.0855 20.94412 -28.03835      28.43435 
1 1 1 18  17 18 o 266.2934 12.21783 2098.524       190.3033 2060.253       253.7294 2147.737       287.7238 262.8536 16.54300 267.8698 18.42704 -5.016144      24.76342 
1 1 1 18  17 19 o 261.2058 11.77854 2018.818       179.9724 1909.375       239.7417 2160.127       272.4166 252.9832 16.24436 268.8244 17.37184 -15.84117      23.78361 
1 1 1 18  17 20 o 347.6462 10.31692 3567.491       210.1150 3687.736       292.8598 3439.938       301.6292 352.4329 14.19785 340.0710 15.16166 12.36191       20.77149 
1 1 1 18  17 21 o 257.5071 11.63873 1963.725       175.3158 2098.258       255.7593 1844.484       240.7856 264.8981 16.54535 248.2743 16.63263 16.62383       23.46046 
1 1 1 18  17 22 o 195.3568 14.73246 1140.845       167.5491 1278.528       261.8072 1045.339       218.0496 204.5229 22.18146 185.3242 20.39888 19.19870       30.13522 
1 1 1 18  17 23 o 66.88243 26.14581 89.71522       148.6132 171.6132       238.6347 37.82888       189.9431 86.19038 33.28754 67.65227 28.38061 18.53811       43.74379 
1 1 1 18  17 24 o 78.85672 26.85290 180.9472       148.6331 240.6852       247.4053 147.2100       185.9253 93.63123 34.37505 78.08438 29.57225 15.54685       45.34492 
1 1 1 18  17 25 o 262.3109 11.06919 2040.156       169.9047 1918.155       273.4742 2116.851       216.8295 251.7877 18.65204 266.3574 13.92884 -14.56967      23.27898 
1 1 1 18  17 26 o 159.0952 16.09735 765.6592       148.1329 1011.385       260.5661 648.3165       180.0612 179.3696 25.48606 144.3415 21.96209 35.02809       33.64332 
1 1 1 18  17 27 o 293.0958 10.52638 2548.602       180.6480 2640.937       339.4830 2512.128       213.3643 294.1147 19.79647 290.2761 12.56289 3.838684       23.44625 
1 1 1 18  17 28 o 34.66743 17.13967 -277.9269      128.0849 -325.4500      273.6068 -264.5893      144.9486 58.22308 27.91114 38.80659 18.99519 19.41649       33.76165 
1 1 1 18  17 29 o 75.30276 24.05351 177.9251       119.8963 167.7150       263.8224 180.5827       134.5988 85.22639 34.33900 76.46131 25.55358 8.765083       42.80365 
1 1 1 18  17 30 o 126.4054 17.56024 497.4071       126.6700 409.2679       245.5523 529.3664       147.8625 108.0385 34.41332 129.3441 20.14829 -21.30559      39.87769 
1 1 1 18  17 31 o 180.9054 12.30876 986.9510       129.8141 1110.194       252.4719 942.6594       151.3537 185.3376 23.77415 175.6933 14.82710 9.644287       28.01880 
1 1 1 18  17 32 o 176.8655 12.46588 945.7959       128.4771 770.2651       255.9276 1004.935       148.5518 149.0494 30.31114 181.6062 14.05686 -32.55679      33.41198 
1 1 1 18  17 33 o 35.79499 17.36656 -175.3179      113.8644 -105.9042      258.5314 -192.0229      126.8277 63.96666 29.52566 37.81046 18.34067 26.15619       34.75838 
1 1 1 18  17 34 o 206.6730 11.03303 1287.226       133.2455 1104.277       275.1916 1343.252       152.2872 180.0415 26.88469 210.3980 12.39653 -30.35652      29.60507 
1 1 1 18  17 35 o 54.55423 22.63584 45.68938       118.8921 -306.6924      258.0488 140.6497       133.9572 54.38076 26.32678 68.54930 25.27245 -14.16854      36.49378 
1 1 1 18  17 36 o 70.30139 24.48723 159.0936       123.8341 154.4749       262.9409 160.4100       140.3767 79.13796 33.30705 71.37348 25.94154 7.764481       42.21757 
1 1 1 18  17 37 o 61.37336 24.55574 90.23779       133.9168 82.50617       267.9559 92.81187       154.6103 73.75600 32.34213 63.95441 26.09663 9.801586       41.55776 
1 1 1 18  17 38 o 134.5155 18.49532 586.0274       142.0514 628.7114       262.5381 568.3588       168.9122 125.2131 34.60123 129.1590 23.14936 -3.945877      41.63097 
1 1 1 18  17 39 o 117.1452 19.89693 454.5104       131.8129 536.2680       266.9174 428.1413       151.5864 113.1946 35.85843 110.8103 24.01967 2.384338       43.15984 
1 1 1 18  17 40 o 89.25964 22.18962 275.7817       115.6618 485.1107       273.9522 230.3750       127.5910 106.2335 36.44898 80.58650 24.67892 25.64703       44.01793 
1 1 1 18  17 41 o 53.15839 22.66522 35.46697       124.4341 149.9256       275.1378 6.035769       139.5180 76.72575 33.21896 52.62077 23.19638 24.10498       40.51631 
1 1 1 18  18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  18 1  o 374.4359 11.80026 4140.617       258.8075 4180.255       329.5547 4076.833       418.0492 375.4102 14.99844 369.3299 19.36791 6.080261       24.49631 
1 1 1 18  18 2  o 187.8978 12.10901 1046.255       132.7280 1070.176       150.6094 963.0785       280.8418 189.7816 13.62216 176.2114 28.12007 13.57024       31.24582 
1 1 1 18  18 3  o 80.60872 21.06983 201.3932       100.7026 166.0786       107.8679 441.0269       280.9887 74.22926 22.68368 118.6796 36.67420 -44.45035      43.12246 
1 1 1 18  18 4  o 223.6240 10.53747 1476.941       137.8104 1446.266       153.4888 1604.495       312.9952 221.0699 11.88216 229.9648 23.53913 -8.894958      26.36809 
1 1 1 18  18 5  o 46.18302 19.74984 -1.575459      94.98615 -33.54688      100.6214 260.1115       287.8727 44.04846 19.54456 100.2485 37.03228 -56.20004      41.87337 
1 1 1 18  18 6  o 114.0763 16.77044 394.3719       108.8531 461.6797       117.0947 -33.90754      295.3713 123.6503 16.56319 78.04186 34.09525 45.60843       37.90548 
1 1 1 18  18 7  o 392.7953 10.54806 4550.719       242.7706 4547.594       282.9428 4559.441       472.6688 392.2478 12.31476 389.9542 20.74235 2.293579       24.12257 
1 1 1 18  18 8  o 289.9041 12.22601 2485.930       207.4022 2485.930       207.4022 0.000000       0.000000 289.9041 12.22601 ?        ?        0.000000       12.22601 
1 1 1 18  18 9  o 131.6861 19.18236 527.4071       143.7962 527.4071       143.7962 0.000000       0.000000 131.6861 19.18236 ?        ?        0.000000       19.18236 
1 1 1 18  18 10 o 378.8650 11.98935 4241.419       266.0625 4241.419       266.0625 0.000000       0.000000 378.8650 11.98935 ?        ?        0.000000       11.98935 
1 1 1 18  18 11 o 243.7303 13.16617 1760.892       187.5013 1760.892       187.5013 0.000000       0.000000 243.7303 13.16617 ?        ?        0.000000       13.16617 
1 1 1 18  18 12 o 361.1797 12.20768 3855.754       258.2156 3855.754       258.2156 0.000000       0.000000 361.1797 12.20768 ?        ?        0.000000       12.20768 
1 1 1 18  18 13 o 244.5726 14.49669 1776.757       207.0020 1776.757       207.0020 0.000000       0.000000 244.5726 14.49669 ?        ?        0.000000       14.49669 
1 1 1 18  18 14 o 530.1623 13.73866 8317.638       426.8128 8317.638       426.8128 0.000000       0.000000 530.1623 13.73866 ?        ?        0.000000       13.73866 
1 1 1 18  18 15 o 253.5394 16.07228 1914.441       237.7565 1914.441       237.7565 0.000000       0.000000 253.5394 16.07228 ?        ?        0.000000       16.07228 
1 1 1 18  18 16 o 49.08543 23.15986 -187.8811      173.9050 -152.9849      208.9476 -266.5451      313.7154 57.56823 26.56207 68.26472 31.85477 -10.69648      41.47614 
1 1 1 18  18 17 o 134.4103 21.52584 554.1521       163.9606 675.9836       219.8076 401.3356       246.1773 147.3485 26.40578 113.0301 34.21319 34.31842       43.21814 
1 1 1 18  18 18 o 163.7642 17.32578 806.9904       163.8829 730.2534       221.9779 898.9300       242.9735 153.4005 25.57342 170.7442 25.00498 -17.34372      35.76659 
1 1 1 18  18 19 o 195.1058 14.59481 1135.252       165.7909 1221.496       222.2827 1027.120       248.8953 201.2715 19.05799 182.9843 23.75273 18.28716       30.45323 
1 1 1 18  18 20 o 192.5204 14.71307 1106.761       164.8648 1094.989       227.2526 1119.842       239.5404 189.8225 20.75082 191.6842 21.68854 -1.861740      30.01648 
1 1 1 18  18 21 o 242.2103 11.85170 1739.829       167.8430 1787.372       238.6981 1693.332       236.0557 244.1499 16.77213 237.5203 17.05946 6.629562       23.92341 
1 1 1 18  18 22 o 322.3716 10.09465 3071.541       190.6176 3007.403       276.4253 3129.692       263.2080 317.5250 14.88538 324.2884 13.87144 -6.763397      20.34678 
1 1 1 18  18 23 o 113.7436 22.57764 405.8156       145.2955 595.6434       240.4360 296.6179       182.3586 135.5041 30.93736 96.91153 29.46977 38.59261       42.72690 
1 1 1 18  18 24 o 188.9128 13.24233 1065.447       145.7864 1203.135       247.6396 992.4189       180.3508 197.9946 21.68040 181.1861 17.17753 16.80847       27.66058 
1 1 1 18  18 25 o 132.3608 18.61514 537.8492       140.5155 657.4463       245.5266 479.5986       171.3516 142.0737 30.38650 122.8950 24.63270 19.17877       39.11661 
1 1 1 18  18 26 o 215.5928 11.97953 1385.133       150.8737 1405.056       257.3084 1374.694       186.2510 213.7829 20.78456 213.8311 14.94584 -0.4818726E-01 25.60031 
1 1 1 18  18 27 o 91.76818 22.41092 269.7645       119.5564 398.7043       217.3099 213.7962       143.1718 109.2553 31.92097 82.52251 26.27652 26.73275       41.34493 
1 1 1 18  18 28 o 263.3162 10.44438 2063.637       160.9713 1615.087       302.1258 2241.441       190.2186 226.4302 23.07315 273.8586 11.87159 -47.42839      25.94812 
1 1 1 18  18 29 o 145.6038 14.84194 646.9205       124.9698 666.6052       257.3793 640.8481       142.9517 138.7027 32.25239 143.9364 17.27939 -5.233612      36.58953 
1 1 1 18  18 30 o 42.13703 19.62528 -93.28635      118.1716 153.7667       229.8627 -182.0379      137.7721 79.91130 32.10328 40.89456 19.65671 39.01674       37.64315 
1 1 1 18  18 31 o 196.3232 11.09101 1156.937       127.1813 1122.917       256.3418 1168.046       146.4812 185.7762 24.09470 196.5299 12.77803 -10.75369      27.27329 
1 1 1 18  18 32 o 49.69909 21.10840 17.57117       107.2033 81.73533       252.2881 3.432849       118.4267 75.06275 32.14555 50.32551 21.79135 24.73724       38.83555 
1 1 1 18  18 33 o 81.38494 22.21638 220.5562       108.9882 295.3560       248.6857 202.7741       121.2530 92.50035 34.37341 78.04003 24.08720 14.46032       41.97290 
1 1 1 18  18 34 o 130.2982 15.18899 528.2171       113.8954 580.4426       248.5138 514.3307       128.1459 124.2503 33.39167 127.3227 17.63407 -3.072388      37.76194 
1 1 1 18  18 35 o 127.2416 16.73385 511.7546       121.8512 510.9405       243.7248 512.0259       140.6974 115.2662 33.84084 125.5710 19.75690 -10.30486      39.18594 
1 1 1 18  18 36 o 59.17959 23.97259 75.69103       129.3489 -86.79483      265.9146 126.0541       148.0439 64.07171 29.70373 67.22540 26.14830 -3.153694      39.57329 
1 1 1 18  18 37 o 54.27952 23.46523 22.36087       136.8726 -413.7957      277.4462 162.6543       157.3534 52.47652 25.80634 71.99265 27.21883 -19.51613      37.50776 
1 1 1 18  18 38 o 55.05834 23.15941 45.94226       127.0137 -55.95957      267.7371 75.53558       144.2827 65.02738 30.02647 60.52660 25.00848 4.500786       39.07701 
1 1 1 18  18 39 o 61.27560 24.32084 97.96260       130.3328 -29.09922      269.6392 136.6992       148.8801 66.09889 30.38046 67.63684 26.24609 -1.537949      40.14759 
1 1 1 18  18 40 f 95.66960 24.21221 324.8034       135.9444 481.0288       269.9158 271.7046       157.3603 105.8332 36.18334 85.85186 27.57010 19.98137       45.49004 
1 1 1 18  19 0  o 121.1789 14.09387 440.2422       98.29633 418.8641       106.5919 561.7699       254.1432 117.8187 15.82611 132.6192 32.84791 -14.80045      36.46164 
1 1 1 18  19 1  f 327.7336 11.15812 3171.412       214.1552 3207.354       271.4283 3112.141       348.5592 328.9166 14.10357 322.7262 18.49328 6.190399       23.25752 
1 1 1 18  19 2  o 105.6490 17.16410 339.9156       102.7030 361.7385       110.5878 203.0423       276.9558 108.8924 17.94071 93.94239 35.96908 14.94997       40.19508 
1 1 1 18  19 3  o 78.72019 20.47375 192.0798       95.39965 245.3429       102.4421 -155.8384      261.8206 88.92716 20.11476 66.04649 30.19942 22.88068       36.28511 
1 1 1 18  19 4  o 65.27602 20.84734 125.1781       90.06657 89.05656       95.58411 411.2349       268.9854 59.36940 21.43025 114.8517 35.94510 -55.48228      41.84861 
1 1 1 18  19 5  o 257.5087 10.67927 1958.219       160.9313 1905.389       181.6446 2151.037       347.0240 253.7247 12.24314 266.8447 22.38033 -13.12001      25.51026 
1 1 1 18  19 6  o 183.1277 11.87075 993.9732       126.8049 1019.118       138.9418 868.6160       310.2283 185.2687 12.86730 165.3027 33.15471 19.96608       35.56405 
1 1 1 18  19 7  o 388.7577 10.52092 4458.048       239.6535 4464.131       281.9727 4442.222       454.8229 388.5814 12.38882 385.0360 20.21222 3.545410       23.70689 
1 1 1 18  19 8  o 445.3151 19.06207 5924.558       496.6862 5924.558       496.6862 0.000000       0.000000 445.3151 19.06207 ?        ?        0.000000       19.06207 
1 1 1 18  19 9  o 387.0968 18.83566 4476.628       426.3293 4476.628       426.3293 0.000000       0.000000 387.0968 18.83566 ?        ?        0.000000       18.83566 
1 1 1 18  19 10 o 287.7509 11.85220 2447.874       199.5885 2447.874       199.5885 0.000000       0.000000 287.7509 11.85220 ?        ?        0.000000       11.85220 
1 1 1 18  19 11 o 57.23687 23.57411 33.48272       127.6628 33.48272       127.6628 0.000000       0.000000 57.23687 23.57411 ?        ?        0.000000       23.57411 
1 1 1 18  19 12 o 146.0352 18.64979 645.0030       156.0883 645.0030       156.0883 0.000000       0.000000 146.0352 18.64979 ?        ?        0.000000       18.64979 
1 1 1 18  19 13 o 324.3593 13.00512 3113.650       246.8936 3113.650       246.8936 0.000000       0.000000 324.3593 13.00512 ?        ?        0.000000       13.00512 
1 1 1 18  19 14 o 256.3053 14.59161 1951.349       218.4305 1951.349       218.4305 0.000000       0.000000 256.3053 14.59161 ?        ?        0.000000       14.59161 
1 1 1 18  19 15 o 363.0889 10.64266 3889.795       226.3835 3848.743       282.8588 3962.951       377.5923 360.5175 13.40138 364.5205 17.71548 -4.003052      22.21340 
1 1 1 18  19 16 o 232.8019 14.75474 1612.481       200.4142 1331.219       255.1401 2065.625       323.8476 209.8204 21.01646 261.7043 21.28342 -51.88388      29.91113 
1 1 1 18  19 17 o 52.90808 23.31626 -34.47488      140.8675 63.65398       180.3705 -187.9228      225.5525 69.09595 28.18985 58.35410 27.15648 10.74185       39.14258 
1 1 1 18  19 18 o 97.93454 25.38523 301.9318       146.9920 302.8734       194.3470 300.6731       224.6962 98.81024 30.49451 99.79765 33.00665 -0.9874115     44.93722 
1 1 1 18  19 19 o 162.5327 16.42986 794.6161       154.4639 747.1407       207.1576 854.0602       231.8042 155.5518 23.43473 166.1416 24.52642 -10.58983      33.92244 
1 1 1 18  19 20 o 195.3750 13.58114 1137.916       154.6478 1092.895       218.5476 1183.067       218.8627 189.6700 19.94515 197.6855 19.11581 -8.015442      27.62650 
1 1 1 18  19 21 o 302.5426 10.07625 2705.652       178.5375 2630.390       253.4890 2779.740       251.5032 297.0005 14.59768 305.5116 14.07452 -8.511139      20.27768 
1 1 1 18  19 22 o 123.9676 18.97607 472.0747       133.5806 451.1494       206.5370 487.1223       175.1440 118.0854 29.82091 124.1476 24.92193 -6.062195      38.86372 
1 1 1 18  19 23 o 121.1980 19.07545 452.3740       131.1116 409.7766       219.2984 476.0705       163.5635 112.2417 31.84592 123.0176 23.52798 -10.77596      39.59455 
1 1 1 18  19 24 o 83.68059 25.45005 218.8864       135.9969 351.0783       233.3189 150.8637       167.3687 104.6927 33.56624 76.25281 28.22449 28.43988       43.85561 
1 1 1 18  19 25 o 276.8204 9.943521 2270.166       161.1695 2295.029       256.2363 2253.890       207.3145 276.1736 15.88710 274.8750 12.89604 1.298584       20.46235 
1 1 1 18  19 26 o 33.97987 16.71165 -233.5787      116.4282 -145.0867      220.5979 -267.7464      137.0747 58.69544 27.15652 37.07056 18.21201 21.62488       32.69792 
1 1 1 18  19 27 o 293.7466 8.645275 2555.204       148.7748 3157.607       266.2266 2281.654       179.4016 324.0364 14.04234 276.6916 11.07793 47.34476       17.88597 
1 1 1 18  19 28 o 122.9795 16.06456 466.0432       113.0977 647.4999       219.5618 400.5076       131.9499 139.4981 27.81351 112.0521 20.84583 27.44595       34.75831 
1 1 1 18  19 29 o 96.88770 20.21577 301.6166       111.1505 292.5793       203.0972 305.4807       132.8040 93.48119 31.39149 96.27119 23.68620 -2.789993      39.32508 
1 1 1 18  19 30 o 190.1222 11.54843 1086.976       128.1602 1173.768       276.4173 1063.209       144.6471 188.9654 25.59986 187.2906 13.25433 1.674789       28.82759 
1 1 1 18  19 31 o 111.4108 16.93224 389.5081       107.1571 507.2080       269.2741 367.3618       116.8042 116.6962 35.87338 107.1291 19.30071 9.567154       40.73594 
1 1 1 18  19 32 o 103.4049 19.14351 344.1772       111.8204 291.8286       269.2032 355.0926       122.9268 93.05944 35.50361 104.2762 20.83006 -11.21673      41.16306 
1 1 1 18  19 33 o 142.1356 13.91840 621.6537       114.5370 350.0633       259.0610 687.6412       127.6955 97.54172 35.27093 149.1053 14.79770 -51.56355      38.24932 
1 1 1 18  19 34 o 131.3460 15.80301 540.2286       119.2901 409.2503       254.6648 577.0458       135.0190 103.1566 35.14900 134.8811 17.47905 -31.72453      39.25518 
1 1 1 18  19 35 o 96.01195 21.67126 310.0155       119.1242 48.21125       248.0584 388.4896       135.8090 70.15817 30.92859 107.4094 22.29018 -37.25124      38.12388 
1 1 1 18  19 36 o 61.84038 23.71305 105.5707       120.4929 30.80422       247.2185 128.8655       137.9929 68.46571 30.49165 66.53460 25.41056 1.931107       39.69178 
1 1 1 18  19 37 o 113.9049 19.34888 426.4193       124.6362 256.6208       258.9600 477.6105       142.1881 85.63178 34.18543 119.5620 21.04603 -33.93019      40.14448 
1 1 1 18  19 38 o 44.12132 20.12246 -45.32872      115.2777 -40.45959      254.7410 -46.58261      129.2714 64.22150 29.52184 46.71763 21.30743 17.50386       36.40804 
1 1 1 18  19 39 o 75.95812 24.59821 202.2428       125.0928 142.0018       269.5285 218.7815       141.2243 76.13151 32.92012 78.40308 26.17441 -2.271576      42.05751 
1 1 1 18  19 40 o 59.60274 23.57481 93.50595       122.0627 140.3568       260.4921 80.32457       138.1709 75.10033 32.41851 59.78243 24.56354 15.31789       40.67343 
1 1 1 18  20 0  o 209.9078 11.34445 1303.764       139.1381 1380.670       161.2204 1079.290       275.4378 215.7685 12.79784 187.3060 25.75500 28.46245       28.75943 
1 1 1 18  20 1  o 374.9377 11.79250 4153.812       258.9854 4418.291       340.7932 3792.272       398.4499 385.7775 15.09184 356.0084 19.15424 29.76910       24.38541 
1 1 1 18  20 2  o 343.5828 11.70776 3488.300       235.5705 3680.385       296.7564 3161.030       387.3525 352.2450 14.39530 324.4878 20.45850 27.75723       25.01549 
1 1 1 18  20 3  o 176.2407 11.73875 920.7886       120.6412 984.2836       132.9290 624.1967       287.2960 182.1093 12.52244 139.2292 35.17705 42.88017       37.33947 
1 1 1 18  20 4  o 91.18736 18.29640 256.2181       94.44196 268.5992       100.1714 157.1804       283.3124 93.29057 18.95585 90.46508 35.87344 2.825493       40.57373 
1 1 1 18  20 5  o 180.2807 11.85932 963.4913       124.6927 975.4091       137.5811 908.6735       295.0692 181.1948 13.03389 169.9664 30.73219 11.22839       33.38188 
1 1 1 18  20 6  o 189.9845 11.58599 1069.009       128.4790 1137.017       141.0030 736.3887       311.8343 195.8287 12.34001 151.1650 35.74060 44.66373       37.81093 
1 1 1 18  20 7  o 127.8005 15.32977 490.9113       112.6093 552.8579       120.7976 79.89485       311.1566 135.7036 15.45305 87.54737 36.49638 48.15627       39.63310 
1 1 1 18  20 8  o 308.7126 11.58605 2816.056       209.3962 2816.056       209.3962 0.000000       0.000000 308.7126 11.58605 ?        ?        0.000000       11.58605 
1 1 1 18  20 9  o 224.9419 12.05423 1497.911       158.4424 1497.911       158.4424 0.000000       0.000000 224.9419 12.05423 ?        ?        0.000000       12.05423 
1 1 1 18  20 10 o 210.6273 13.33253 1316.643       163.8488 1316.643       163.8488 0.000000       0.000000 210.6273 13.33253 ?        ?        0.000000       13.33253 
1 1 1 18  20 11 o 208.8557 13.81915 1295.774       168.3175 1295.774       168.3175 0.000000       0.000000 208.8557 13.81915 ?        ?        0.000000       13.81915 
1 1 1 18  20 12 o 339.2177 12.33286 3402.320       244.9455 3402.320       244.9455 0.000000       0.000000 339.2177 12.33286 ?        ?        0.000000       12.33286 
1 1 1 18  20 13 o 192.1946 15.96505 1103.381       178.3310 1103.381       178.3310 0.000000       0.000000 192.1946 15.96505 ?        ?        0.000000       15.96505 
1 1 1 18  20 14 o 94.28243 26.64903 277.1110       153.8606 277.1110       153.8606 0.000000       0.000000 94.28243 26.64903 ?        ?        0.000000       26.64903 
1 1 1 18  20 15 o 112.6130 24.05498 396.4075       154.0434 396.4075       154.0434 0.000000       0.000000 112.6130 24.05498 ?        ?        0.000000       24.05498 
1 1 1 18  20 16 o 180.6326 16.35775 978.0284       171.4122 978.0284       171.4122 0.000000       0.000000 180.6326 16.35775 ?        ?        0.000000       16.35775 
1 1 1 18  20 17 o 166.0060 14.45439 823.5415       139.3242 853.9386       173.3489 768.0789       234.1559 168.2597 17.83812 156.9122 26.37973 11.34746       31.84476 
1 1 1 18  20 18 o 280.0143 13.45875 2329.680       220.3748 2269.096       383.3378 2359.587       269.3295 272.3929 24.24903 280.9202 16.41904 -8.527252      29.28481 
1 1 1 18  20 19 o 103.4856 23.14083 337.0068       136.9183 406.6615       174.9079 226.7779       220.0300 112.9982 26.80091 90.42513 32.53065 22.57304       42.14893 
1 1 1 18  20 20 o 172.1814 13.99597 886.6691       140.1140 657.7484       197.5613 1118.344       198.7463 145.1999 24.04033 192.4214 17.81365 -47.22147      29.92095 
1 1 1 18  20 21 o 75.39014 24.84007 168.6761       127.3016 167.4447       198.3403 169.5388       166.0074 81.61182 30.62305 78.76637 28.26621 2.845459       41.67433 
1 1 1 18  20 22 o 35.46761 17.32132 -215.5233      118.5211 -190.7173      187.7976 -231.9438      152.7939 51.11890 24.10338 42.20522 20.39002 8.913673       31.57097 
1 1 1 18  20 23 o 143.4711 16.09358 623.6523       133.0836 494.0781       214.7324 704.4629       169.5792 123.0266 30.02850 151.5011 19.54021 -28.47443      35.82640 
1 1 1 18  20 24 o 135.7644 16.14205 560.4307       126.0138 503.4054       210.6199 592.2246       157.2671 123.9906 29.41120 138.3741 19.95501 -14.38358      35.54182 
1 1 1 18  20 25 o 62.02058 23.15591 95.28054       113.1152 289.2663       213.0349 19.11763       133.4865 95.62695 32.15064 55.85218 23.63067 39.77477       39.90078 
1 1 1 18  20 26 o 46.26509 20.15906 -10.53894      102.6718 62.76471       199.0093 -37.12687      119.8541 69.70333 29.13227 47.43093 21.17022 22.27240       36.01205 
1 1 1 18  20 27 o 130.3839 14.31578 517.8753       107.6702 506.3285       211.7247 521.9031       125.0469 122.0937 29.82764 130.0070 16.79228 -7.913269      34.22964 
1 1 1 18  20 28 o 124.4249 16.28932 478.9595       116.0151 175.1078       275.2474 544.6030       127.9346 85.61300 34.86289 132.5711 16.83370 -46.95808      38.71427 
1 1 1 18  20 29 o 41.74232 19.11442 -60.16398      105.3978 -120.6620      252.6264 -47.41428      115.9733 63.11762 29.15252 45.21738 20.44824 17.90024       35.60899 
1 1 1 18  20 30 o 118.4677 15.57946 435.1338       105.6228 833.3465       217.2683 311.8990       120.8664 159.6012 23.95021 97.58453 21.68213 62.01671       32.30677 
1 1 1 18  20 31 o 62.02668 22.23523 111.7088       102.6949 115.0000       213.4972 110.7181       117.1362 73.69448 30.43248 63.32848 23.57969 10.36600       38.49854 
1 1 1 18  20 32 f 110.1855 17.38651 385.5982       108.6323 281.2111       256.6455 408.3828       119.9032 90.87350 34.66662 112.7667 18.79096 -21.89324      39.43190 
1 1 1 18  20 33 o 120.2327 16.30328 455.0453       112.0011 603.8630       258.2546 420.5714       124.2986 125.8426 34.13487 114.0210 19.27414 11.82159       39.20053 
1 1 1 18  20 34 o 120.2885 16.78889 458.8241       115.2173 347.0377       249.0851 489.2531       129.9561 96.00098 34.60226 123.3013 18.54502 -27.30033      39.25855 
1 1 1 18  20 35 o 59.57815 23.25119 91.09455       117.3671 -248.2755      244.3174 192.9075       133.8194 54.13309 26.05997 75.44888 25.48173 -21.31578      36.44778 
1 1 1 18  20 36 o 133.8355 14.95982 561.9080       115.4155 627.4396       267.5476 546.9250       127.9311 124.4226 35.13208 130.7615 17.09053 -6.338890      39.06852 
1 1 1 18  20 37 o 47.62715 20.76386 4.724109       109.0512 505.9431       268.9921 -93.85545      119.2942 109.8160 36.10453 41.33160 19.40157 68.48442       40.98730 
1 1 1 18  20 38 o 82.44372 25.08676 242.9301       132.1191 150.4037       274.4805 270.8323       150.7292 77.04200 33.26722 86.04266 26.90441 -9.000664      42.78498 
1 1 1 18  20 39 o 45.58552 20.66751 -35.64352      119.3844 -606.5369      253.2948 127.3989       135.3627 44.01354 22.11533 65.27367 25.10700 -21.26012      33.45817 
1 1 1 18  21 0  o 262.4524 11.33357 2036.147       174.0376 2025.039       204.4408 2065.385       331.6886 261.3228 13.38408 261.5471 21.82239 -0.2243042     25.59981 
1 1 1 18  21 1  o 350.6341 11.70178 3632.963       240.2966 3955.283       312.9464 3169.908       375.0959 365.0953 14.64520 325.1705 19.76223 39.92480       24.59731 
1 1 1 18  21 2  o 581.8708 14.36913 10026.65       490.3517 9514.262       627.3933 10830.95       786.0496 564.4492 18.97941 600.1962 22.37004 -35.74707      29.33661 
1 1 1 18  21 3  o 165.9642 12.25052 817.8102       118.3989 901.0545       129.4742 392.7386       292.5749 174.1606 12.76468 113.5929 37.66709 60.56771       39.77118 
1 1 1 18  21 4  o 278.7274 10.40069 2292.986       169.7187 2253.556       193.1465 2426.588       355.5321 276.0289 11.95951 283.7973 21.52136 -7.768402      24.62111 
1 1 1 18  21 5  o 31.44730 15.29689 -157.3854      89.88776 -176.6740      93.77914 60.67042       315.3117 31.41559 15.35645 86.65771 36.47279 -55.24213      39.57379 
1 1 1 18  21 6  f 157.7518 31.03775 785.9630       276.9215 995.6583       444.1181 652.5754       354.2108 173.4587 43.68737 141.7249 40.55953 31.73387       59.61260 
1 1 1 18  21 7  o 222.1720 12.44850 1462.343       161.5535 1577.947       179.5298 970.2504       370.4021 230.6447 13.32896 173.3801 37.51827 57.26460       39.81560 
1 1 1 18  21 8  o 239.1796 12.47454 1694.101       174.3795 1694.101       174.3795 0.000000       0.000000 239.1796 12.47454 ?        ?        0.000000       12.47454 
1 1 1 18  21 9  o 389.7535 15.59524 4511.479       355.7582 4511.479       355.7582 0.000000       0.000000 389.7535 15.59524 ?        ?        0.000000       15.59524 
1 1 1 18  21 10 o 282.7123 27.36446 2445.461       448.0480 2445.461       448.0480 0.000000       0.000000 282.7123 27.36446 ?        ?        0.000000       27.36446 
1 1 1 18  21 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  21 12 o 267.6310 12.01072 2119.167       188.0390 2119.167       188.0390 0.000000       0.000000 267.6310 12.01072 ?        ?        0.000000       12.01072 
1 1 1 18  21 13 o 272.5992 12.42656 2200.354       198.1446 2200.354       198.1446 0.000000       0.000000 272.5992 12.42656 ?        ?        0.000000       12.42656 
1 1 1 18  21 14 o 453.8646 12.66437 6096.240       336.7719 6096.240       336.7719 0.000000       0.000000 453.8646 12.66437 ?        ?        0.000000       12.66437 
1 1 1 18  21 15 o 265.4924 12.39699 2088.855       192.4945 2088.855       192.4945 0.000000       0.000000 265.4924 12.39699 ?        ?        0.000000       12.39699 
1 1 1 18  21 16 o 267.6773 15.60837 2137.738       243.9673 2162.505       393.3183 2122.250       311.0316 265.4730 25.57862 265.2005 20.14847 0.2724915      32.56112 
1 1 1 18  21 17 o 305.3818 12.29972 2765.014       219.8362 2765.014       219.8362 0.000000       0.000000 305.3818 12.29972 ?        ?        0.000000       12.29972 
1 1 1 18  21 18 o 154.0717 14.49589 711.8016       129.4450 861.2413       160.6612 435.2990       218.5383 169.1134 16.40461 116.0571 31.36672 53.05627       35.39750 
1 1 1 18  21 19 o 248.8663 9.873885 1831.418       143.8275 1754.754       188.7005 1937.701       222.1817 242.7661 13.30448 254.6500 14.94262 -11.88391      20.00727 
1 1 1 18  21 20 o 213.4104 10.77816 1350.300       134.4629 1454.469       189.0682 1243.692       191.2693 220.4938 14.70486 203.3874 16.16803 17.10632       21.85493 
1 1 1 18  21 21 o 125.4098 16.54170 478.4794       118.7003 514.4784       171.7219 445.5404       164.2616 127.8827 23.77096 118.6025 24.42884 9.280113       34.08558 
1 1 1 18  21 22 o 75.82835 23.63530 176.6660       116.4225 212.0220       182.3027 152.3154       151.2923 85.17409 29.70815 74.81032 26.96700 10.36377       40.12223 
1 1 1 18  21 23 o 126.1169 16.08372 484.5096       116.2594 315.6476       186.4764 591.8795       148.6960 98.85212 29.74563 138.7316 18.75565 -39.87946      35.16500 
1 1 1 18  21 24 o 222.2754 9.815034 1465.728       127.6326 1268.559       201.8543 1597.066       164.7460 204.3701 16.99473 231.3273 12.18631 -26.95717      20.91236 
1 1 1 18  21 25 o 74.41904 21.19197 175.7239       96.93427 382.1877       177.3935 87.83121       115.7423 107.3666 27.91573 61.04080 23.28176 46.32585       36.35008 
1 1 1 18  21 26 o 50.66069 20.44334 41.76706       93.66367 188.2584       180.4646 -12.24316      109.5782 80.33877 29.38069 47.44971 20.74765 32.88906       35.96790 
1 1 1 18  21 27 o 133.4229 13.12469 540.1204       101.3719 502.5512       197.0995 553.6326       118.2042 121.8833 28.14226 134.3177 15.27658 -12.43444      32.02126 
1 1 1 18  21 28 o 142.3484 12.66848 613.9847       104.6578 946.0314       277.3677 558.8618       113.0115 166.7931 29.43028 135.0865 14.49084 31.70657       32.80436 
1 1 1 18  21 29 o 74.05771 21.28479 178.2287       97.34767 509.9320       235.3794 109.7849       106.9204 119.0755 32.70701 62.38912 22.64532 56.68642       39.78139 
1 1 1 18  21 30 o 135.3175 12.92188 558.1262       101.3048 545.8395       193.1405 562.7894       118.9858 126.4261 26.87724 134.8763 15.31283 -8.450157      30.93330 
1 1 1 18  21 31 o 100.8705 17.05857 323.1224       97.32128 493.1953       190.9111 263.4080       113.1236 118.6784 27.90186 88.91936 21.85091 29.75903       35.43975 
1 1 1 18  21 32 f 81.13446 21.14969 219.2670       101.6495 465.3051       199.6322 133.1498       118.1067 113.5007 29.66508 66.27410 23.83466 47.22663       38.05402 
1 1 1 18  21 33 o 202.4276 9.945753 1231.719       117.7135 1263.685       214.6172 1217.965       140.7782 199.1561 18.58945 200.1557 12.04849 -0.9995575     22.15251 
1 1 1 18  21 34 o 41.93195 21.09107 -607.5192      233.4582 -541.5597      258.2092 -902.9336      546.4480 46.81329 23.34317 66.63718 33.33915 -19.82388      40.69893 
1 1 1 18  21 35 o 107.7073 17.99084 376.1636       109.6385 179.9198       268.6487 415.3807       120.0949 80.11430 33.68926 112.8109 18.81417 -32.69657      38.58678 
1 1 1 18  21 36 o 74.49642 23.27131 190.4870       112.7984 86.01720       270.9058 212.3973       124.0643 73.33334 32.32522 78.06954 24.40853 -4.736206      40.50550 
1 1 1 18  21 37 o 46.53159 22.01371 -128.4524      159.0818 -293.9531      274.8172 -45.04863      195.0909 55.43313 26.91427 56.92590 26.04395 -1.492771      37.45217 
1 1 1 18  21 38 o 108.3577 24.59139 416.7156       152.6840 308.3655       310.6148 451.2370       175.3282 89.26815 36.76978 110.7351 27.19788 -21.46693      45.73556 
1 1 1 18  21 39 o 40.84457 18.24601 -18.42852      89.23015 -23.95022      92.74947 50.21730       327.0258 41.07160 18.45513 73.80296 33.74794 -32.73136      38.46447 
1 1 1 18  22 0  o 116.5839 17.26813 412.5960       114.5036 476.6959       124.7629 70.22677       288.3395 125.4452 17.42833 84.13386 35.10762 41.31132       39.19556 
1 1 1 18  22 1  o 52.64528 20.53270 51.83659       91.48070 58.80905       96.61291 -8.609179      284.4626 54.68236 21.16375 78.12828 33.80172 -23.44592      39.88057 
1 1 1 18  22 2  o 252.9654 11.42982 1891.912       169.1328 1990.086       197.2989 1619.811       328.4675 259.1479 13.02329 230.5143 24.68020 28.63358       27.90553 
1 1 1 18  22 3  o 352.5376 23.50509 3754.925       483.2033 3754.925       483.2033 0.000000       0.000000 352.5376 23.50509 ?        ?        0.000000       23.50509 
1 1 1 18  22 4  o 192.2967 12.17385 1096.181       136.5888 1076.836       149.3354 1195.208       337.8748 190.3557 13.46348 195.6581 30.43374 -5.302414      33.27879 
1 1 1 18  22 5  o 73.72678 21.97814 165.2603       102.1635 167.5169       106.5086 139.2827       361.3662 74.37116 22.50255 97.00452 39.77622 -22.63335      45.70024 
1 1 1 18  22 6  o 323.5421 10.71449 3089.412       203.0269 2936.943       223.1986 3820.392       488.7125 315.1690 12.09775 355.6382 23.56409 -40.46918      26.48815 
1 1 1 18  22 7  o 351.9798 16.76107 3688.837       345.0011 4075.519       488.6160 3304.397       487.1975 367.7003 22.76979 329.8484 25.37990 37.85187       34.09697 
1 1 1 18  22 8  o 394.9861 12.34094 4612.375       285.5272 4612.375       285.5272 0.000000       0.000000 394.9861 12.34094 ?        ?        0.000000       12.34094 
1 1 1 18  22 9  o 185.3771 13.96635 1022.708       150.7245 1022.708       150.7245 0.000000       0.000000 185.3771 13.96635 ?        ?        0.000000       13.96635 
1 1 1 18  22 10 o 287.9142 13.72659 2458.629       231.1125 2458.629       231.1125 0.000000       0.000000 287.9142 13.72659 ?        ?        0.000000       13.72659 
1 1 1 18  22 11 o 139.8121 14.24237 584.8593       115.1536 584.8593       115.1536 0.000000       0.000000 139.8121 14.24237 ?        ?        0.000000       14.24237 
1 1 1 18  22 12 o 380.7846 12.09871 4288.880       269.8469 4288.880       269.8469 0.000000       0.000000 380.7846 12.09871 ?        ?        0.000000       12.09871 
1 1 1 18  22 13 o 221.9512 12.00545 1460.138       155.6923 1460.138       155.6923 0.000000       0.000000 221.9512 12.00545 ?        ?        0.000000       12.00545 
1 1 1 18  22 14 o 208.7851 12.00448 1292.937       146.3721 1292.937       146.3721 0.000000       0.000000 208.7851 12.00448 ?        ?        0.000000       12.00448 
1 1 1 18  22 15 o 278.7033 10.16073 2295.035       165.8021 2077.957       187.5075 3073.204       355.0154 264.7521 12.10821 319.7034 19.02028 -54.95129      22.54728 
1 1 1 18  22 16 o 191.3022 11.08114 1085.277       123.7919 897.9839       139.2379 1791.731       270.4200 173.3914 13.80632 243.6189 19.07890 -70.22749      23.55035 
1 1 1 18  22 17 o 361.5715 9.121562 3857.883       193.2712 4252.435       265.2179 3411.098       282.2279 378.7770 11.95398 338.4303 14.25126 40.34674       18.60097 
1 1 1 18  22 18 o 68.69244 21.66475 141.9788       97.52977 126.9357       112.6953 186.8606       194.6581 67.40045 23.36672 83.51334 30.51855 -16.11289      38.43678 
1 1 1 18  22 19 o 38.05823 17.64028 -76.54196      93.71313 -62.84598      112.7456 -107.1521      168.5528 44.00175 20.00270 52.49078 24.08678 -8.489037      31.30944 
1 1 1 18  22 20 o 360.6139 8.610621 3835.554       182.1074 3587.265       238.0937 4185.557       282.6870 347.7084 11.69231 375.1596 12.86715 -27.45120      17.38602 
1 1 1 18  22 21 o 263.7804 8.924655 2056.446       137.8664 1853.441       188.6539 2289.125       201.9719 249.3190 12.94643 277.3118 12.45034 -27.99283      17.96165 
1 1 1 18  22 22 o 136.8624 12.68988 562.0108       100.6974 522.1912       149.7755 594.8570       136.0300 129.5949 20.37811 139.6413 16.95715 -10.04639      26.51060 
1 1 1 18  22 23 o 99.93875 16.06096 307.5500       90.94737 239.1317       146.4930 350.4590       116.0125 86.61961 26.42791 105.8010 19.41182 -19.18141      32.79105 
1 1 1 18  22 24 o 162.2438 10.08311 784.0848       95.46876 787.2628       158.6964 782.2823       119.5135 160.2660 17.15034 161.3162 12.73571 -1.050262      21.36194 
1 1 1 18  22 25 o 183.1369 9.275645 997.2875       99.30108 905.4368       169.7143 1045.102       122.4494 171.6470 17.08564 186.8949 11.22314 -15.24789      20.44206 
1 1 1 18  22 26 o 204.0734 8.568112 1236.668       102.3187 1318.196       183.6127 1199.948       123.2246 207.9981 15.15596 200.3802 10.52244 7.617874       18.45061 
1 1 1 18  22 27 o 144.1513 10.48900 623.2263       88.06866 519.5397       180.5117 655.6167       100.8910 124.9693 25.49383 147.4523 11.76425 -22.48303      28.07727 
1 1 1 18  22 28 o 38.82274 17.44869 -31.61877      82.96323 -18.63494      263.5409 -33.04701      87.40725 69.91238 31.28508 39.81779 17.90175 30.09458       36.04482 
1 1 1 18  22 29 f 93.24576 16.93341 275.4230       89.19312 187.0367       183.9669 302.5838       101.9808 78.73329 29.50307 97.17533 18.57098 -18.44204      34.86133 
1 1 1 18  22 30 o 62.93562 20.49298 124.6208       86.75669 203.7578       182.0341 101.3623       98.68555 80.01991 29.46762 59.73889 21.74516 20.28102       36.62230 
1 1 1 18  22 31 o 47.19346 19.38223 33.43859       85.97848 -71.80106      184.8590 62.48816       97.12267 55.14623 25.27543 53.32003 21.04796 1.826195       32.89170 
1 1 1 18  22 32 o 58.17750 20.33797 101.7832       85.46713 33.34329       186.3301 120.0193       96.18200 62.66538 27.23293 62.32500 21.58803 0.3403816      34.75163 
1 1 1 18  22 33 o 70.84845 20.06016 166.6663       87.10625 218.5124       196.5231 153.9904       97.17290 80.85799 30.45205 68.32864 21.63473 12.52935       37.35490 
1 1 1 18  22 34 o 76.64579 20.27529 197.1715       92.53089 176.9267       206.8739 202.2346       103.4566 76.53938 30.55499 77.12614 21.87019 -0.5867691     37.57542 
1 1 1 18  22 35 o 59.24017 21.03299 107.5828       91.67209 -69.12275      199.4133 154.9331       103.2262 56.34104 25.97905 68.20166 22.36289 -11.86062      34.27842 
1 1 1 18  22 36 o 34.89497 16.24420 -60.10399      80.80202 -65.32490      81.94259 123.5339       485.9794 34.74254 16.23453 85.98804 39.96410 -51.24549      43.13571 
1 1 1 18  22 37 o 29.94318 14.65962 -151.3849      86.46173 -163.8975      90.26070 -12.05682      301.1925 30.23318 14.83789 69.41389 31.97844 -39.18071      35.25314 
1 1 1 18  22 38 o 50.78959 20.32640 57.16053       91.78362 -32.42235      96.34838 935.9289       301.7652 41.09022 18.60440 151.7568 34.66718 -110.6666      39.34383 
1 1 1 18  23 0  o 424.9931 10.82230 5329.586       269.5247 5061.261       311.5815 6127.149       537.1854 413.6176 12.86027 452.2287 20.30602 -38.61108      24.03583 
1 1 1 18  23 1  o 296.9831 11.68783 2607.179       203.1736 2575.705       237.1678 2693.974       393.8452 294.7281 13.75891 298.6609 22.65417 -3.932800      26.50508 
1 1 1 18  23 2  o 441.3532 12.98024 5762.970       335.6198 5938.136       437.7903 5513.275       522.6922 446.7155 16.73992 428.6920 20.85234 18.02353       26.74033 
1 1 1 18  23 3  o 552.4200 11.99512 9010.436       388.6194 9264.575       468.1687 8447.302       696.9023 559.1780 14.28755 529.8988 22.47584 29.27924       26.63264 
1 1 1 18  23 4  o 234.8208 10.84071 1629.488       148.8920 1642.141       162.1024 1561.208       376.5526 235.5711 11.77050 224.4953 29.29854 11.07581       31.57450 
1 1 1 18  23 5  o 419.9008 11.33144 5206.079       278.7951 5226.846       324.6089 5147.688       544.3062 420.2270 13.18754 413.3691 22.53724 6.857910       26.11203 
1 1 1 18  23 6  o 274.9428 11.10839 2233.565       178.7511 2201.280       196.3362 2389.960       432.1266 272.7108 12.30745 279.5509 26.68047 -6.840118      29.38232 
1 1 1 18  23 7  o 306.8710 17.42889 2811.422       312.3827 2478.592       423.2155 3209.794       463.0139 285.1283 25.58030 325.2437 24.45268 -40.11536      35.38765 
1 1 1 18  23 8  o 249.4312 11.81376 1841.264       172.3270 1865.859       190.6892 1731.687       402.4893 250.8533 13.00593 236.2163 29.70877 14.63699       32.43093 
1 1 1 18  23 9  o 121.4681 16.53686 446.4552       114.7493 446.4552       114.7493 0.000000       0.000000 121.4681 16.53686 ?        ?        0.000000       16.53686 
1 1 1 18  23 10 o 132.3819 14.28463 525.3488       109.1504 525.3488       109.1504 0.000000       0.000000 132.3819 14.28463 ?        ?        0.000000       14.28463 
1 1 1 18  23 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  23 12 o 273.6237 11.25286 2215.094       180.1935 2215.094       180.1935 0.000000       0.000000 273.6237 11.25286 ?        ?        0.000000       11.25286 
1 1 1 18  23 13 o 165.0906 12.18053 810.6342       117.1035 810.6342       117.1035 0.000000       0.000000 165.0906 12.18053 ?        ?        0.000000       12.18053 
1 1 1 18  23 14 o 156.5561 12.54194 730.5094       114.1931 730.5094       114.1931 0.000000       0.000000 156.5561 12.54194 ?        ?        0.000000       12.54194 
1 1 1 18  23 15 o 84.12626 18.20280 219.9973       87.19614 219.9973       87.19614 0.000000       0.000000 84.12626 18.20280 ?        ?        0.000000       18.20280 
1 1 1 18  23 16 o 286.9773 8.999512 2431.177       151.2794 2435.442       187.7841 2423.291       255.3429 286.7097 11.18924 284.7131 15.34880 1.996582       18.99433 
1 1 1 18  23 17 o 166.3696 10.82151 822.0287       105.0146 892.3781       122.8296 630.8959       202.4606 173.0883 12.17770 141.5091 25.32517 31.57912       28.10090 
1 1 1 18  23 18 o 114.0881 13.36747 391.9573       87.74767 400.6733       98.46924 358.3444       193.3737 114.9966 14.95427 105.4055 29.90373 9.591080       33.43446 
1 1 1 18  23 19 o 108.7016 13.90384 357.3152       86.61166 444.2581       101.6606 127.1210       165.4180 121.2215 14.59270 73.20844 27.85452 48.01305       31.44553 
1 1 1 18  23 20 o 186.4701 9.301173 1029.808       101.3968 993.4493       132.3821 1081.415       157.7150 182.4251 12.44813 189.8515 14.26916 -7.426346      18.93581 
1 1 1 18  23 21 o 276.0812 8.024498 2250.625       129.7908 2080.501       179.5483 2436.816       187.8361 264.4307 11.60588 286.3557 11.20629 -21.92508      16.13311 
1 1 1 18  23 22 f 70.78546 17.42041 157.4464       71.82091 164.8653       99.32274 149.3158       103.9773 72.57484 21.67899 69.92022 22.40668 2.654625       31.17752 
1 1 1 18  23 23 o 160.0197 8.659959 759.8265       80.96896 773.7017       121.8963 748.8704       108.3175 160.2864 13.08076 158.0738 11.76834 2.212524       17.59546 
1 1 1 18  23 24 o 98.42838 12.33036 294.1576       69.62061 258.8327       110.5282 317.3914       89.63821 89.55547 21.34721 101.3261 15.58256 -11.77061      26.42952 
1 1 1 18  23 25 o 129.7691 9.683710 503.4113       73.16801 642.5403       129.2588 437.8118       88.75681 144.7199 15.46897 120.0951 12.79857 24.62477       20.07716 
1 1 1 18  23 26 o 118.5299 10.65915 422.7298       73.30650 493.0706       138.8177 395.5287       86.32458 124.6126 19.64459 113.8601 13.16996 10.75250       23.65074 
1 1 1 18  23 27 o 123.9083 10.24110 461.2907       73.75734 597.7751       152.5300 419.6365       84.26411 137.2623 19.49524 117.4742 12.41841 19.78806       23.11452 
1 1 1 18  23 28 o 109.7529 11.09371 364.6208       70.42815 428.0245       149.8852 346.6555       79.78448 113.6598 23.26952 106.3500 13.06604 7.309814       26.68693 
1 1 1 18  23 29 o 34.00394 15.49804 -37.09946      68.23791 69.85610       142.3087 -69.03390      77.76058 60.98736 24.97914 33.66680 15.75883 27.32056       29.53469 
1 1 1 18  23 30 f 70.23272 17.84028 160.2065       73.61500 109.5961       159.5694 173.8903       82.97210 67.07161 26.81511 72.84457 19.16639 -5.772957      32.96059 
1 1 1 18  23 31 o 42.00021 17.41557 21.38951       70.31380 14.17877       166.5467 22.95354       77.56549 58.49295 25.57738 43.86312 18.24860 14.62983       31.41996 
1 1 1 18  23 32 o 35.90267 16.26155 -32.13199      73.69040 -67.74781      175.9795 -24.55896      81.14751 53.59488 24.60019 38.68430 17.33176 14.91059       30.09251 
1 1 1 18  23 33 o 172.7520 10.01843 900.3417       101.0662 890.0709       103.0054 1165.438       523.3115 171.6340 10.28019 146.3617 50.37080 25.27234       51.40914 
1 1 1 18  23 34 o 71.80365 18.83424 171.5357       80.28204 174.1838       81.33256 71.00813       501.1199 72.31618 18.95145 85.61090 40.05092 -13.29472      44.30839 
1 1 1 18  23 35 o 132.6011 13.04096 544.3923       100.1054 569.6084       102.1907 -54.64075      498.0790 135.6829 13.00095 80.81777 38.44186 54.86510       40.58080 
1 1 1 18  23 36 o 36.15858 16.80330 -59.95181      85.87715 -26.85749      88.36812 -622.2672      364.2578 39.86488 17.95478 55.74331 27.78483 -15.87842      33.08128 
1 1 1 18  23 37 o 41.21644 18.33098 -14.99627      89.03789 25.08119       94.35830 -340.6186      268.9596 46.93614 19.86346 52.94963 25.90891 -6.013489      32.64703 
1 1 1 18  24 0  o 49.02666 24.27808 -583.8664      260.7916 -1400.667      504.6271 -286.2156      304.6254 62.44089 31.35264 65.98122 30.98224 -3.540337      44.07820 
1 1 1 18  24 1  o 231.0008 11.10484 1578.016       150.0039 1673.996       168.1315 1203.533       332.1054 237.7544 12.09761 196.3556 29.77167 41.39883       32.13572 
1 1 1 18  24 2  o 294.9571 10.87904 2569.800       187.8690 2522.664       216.3513 2714.301       378.8069 291.8585 12.66988 299.9838 21.67747 -8.125366      25.10854 
1 1 1 18  24 3  o 127.6705 14.47476 489.0153       106.4706 478.4824       112.4974 579.4922       329.7128 126.0520 15.54653 133.7668 39.38401 -7.714775      42.34140 
1 1 1 18  24 4  o 51.28019 19.97476 49.62729       86.48824 51.34930       89.60876 26.18654       330.6119 52.16749 20.32863 85.90850 36.79462 -33.74101      42.03686 
1 1 1 18  24 5  o 171.2324 12.10965 870.5439       120.8251 850.5491       127.7299 1040.628       372.5331 169.0886 12.97959 179.4828 36.63213 -10.39413      38.86364 
1 1 1 18  24 6  o 158.7487 12.06447 748.8632       111.4820 716.9045       117.1015 1058.073       364.2457 155.1399 12.98942 181.3794 35.51326 -26.23949      37.81424 
1 1 1 18  24 7  o 58.04309 20.64015 88.03356       88.31094 118.4357       91.03192 -397.8396      363.9178 63.97448 21.00181 69.48587 32.99644 -5.511395      39.11318 
1 1 1 18  24 8  f 290.4604 11.80278 2497.137       200.6394 2560.140       228.2859 2283.256       420.6147 293.7462 13.28562 272.5678 26.65255 21.17844       29.78030 
1 1 1 18  24 9  o 103.2779 17.27298 326.2302       100.9308 326.2302       100.9308 0.000000       0.000000 103.2779 17.27298 ?        ?        0.000000       17.27298 
1 1 1 18  24 10 o 281.5219 11.12726 2344.559       183.3558 2344.559       183.3558 0.000000       0.000000 281.5219 11.12726 ?        ?        0.000000       11.12726 
1 1 1 18  24 11 o 334.7914 21.85346 3396.419       426.7412 3396.419       426.7412 0.000000       0.000000 334.7914 21.85346 ?        ?        0.000000       21.85346 
1 1 1 18  24 12 o 93.14364 16.14955 265.7708       85.02348 265.7708       85.02348 0.000000       0.000000 93.14364 16.14955 ?        ?        0.000000       16.14955 
1 1 1 18  24 13 o 153.8177 12.02186 704.7555       107.5889 704.7555       107.5889 0.000000       0.000000 153.8177 12.02186 ?        ?        0.000000       12.02186 
1 1 1 18  24 14 o 111.3118 13.95647 373.8206       89.11287 373.8206       89.11287 0.000000       0.000000 111.3118 13.95647 ?        ?        0.000000       13.95647 
1 1 1 18  24 15 o 164.4648 11.43212 804.5239       109.5818 804.5239       109.5818 0.000000       0.000000 164.4648 11.43212 ?        ?        0.000000       11.43212 
1 1 1 18  24 16 o 122.5430 11.48814 448.5364       81.60095 472.4173       88.87995 320.3938       205.8853 125.6443 12.21578 100.5166 31.44601 25.12768       33.73539 
1 1 1 18  24 17 o 91.30710 13.72790 253.3559       71.23910 295.5424       76.90362 -1.777297      189.1226 98.78027 13.63827 63.85044 27.59274 34.92984       30.77924 
1 1 1 18  24 18 o 93.27750 13.13041 263.6544       69.84464 282.8731       78.01551 186.0524       156.7668 96.42435 14.22218 79.87251 27.56593 16.55184       31.01856 
1 1 1 18  24 19 o 184.9685 12.69076 1022.430       136.8347 1090.666       324.1850 1007.638       150.9393 182.9815 31.33529 183.2014 14.15806 -0.2198639     34.38533 
1 1 1 18  24 20 o 63.97371 15.02682 127.4367       55.41381 187.9974       64.53476 -42.54103      108.1171 78.05626 14.63481 44.50697 19.96800 33.54929       24.75679 
1 1 1 18  24 21 o ?        ?        -139.7998      37.71170 -136.0184      42.45147 -153.9534      82.13017 17.54803 8.847734 29.25852 14.31669 -11.71049      16.83003 
1 1 1 18  24 22 f 27.56572 12.34407 -17.29373      41.10685 15.93664       49.26893 -93.41576      74.56940 36.10018 14.73130 31.04260 14.79626 5.057585       20.87919 
1 1 1 18  24 23 f 122.0016 7.985003 442.1678       56.81956 489.9899       80.68947 395.1305       80.02464 127.7811 10.87021 114.3185 12.12038 13.46265       16.28082 
1 1 1 18  24 24 o 44.18972 14.83509 56.12407       45.35890 85.51173       60.86368 19.41213       68.02671 53.26196 17.15024 41.61820 17.18159 11.64376       24.27628 
1 1 1 18  24 25 o 52.68894 14.91017 86.70232       48.13580 79.54660       69.60771 93.26048       66.63797 52.80521 18.36103 55.44205 17.95340 -2.636837      25.67980 
1 1 1 18  24 26 o 161.5072 7.427989 773.8068       70.16964 718.3156       113.7531 807.8921       89.15260 153.8862 12.71758 164.5094 9.278045 -10.62326      15.74226 
1 1 1 18  24 27 f 29.64868 13.26849 -18.16310      47.41391 10.25774       93.92537 -27.88219      54.92591 46.08584 19.67189 30.95098 14.02695 15.13487       24.16069 
1 1 1 18  24 28 o 59.60152 15.62948 113.1923       55.29497 79.21075       104.1939 126.5148       65.23988 56.98269 21.99871 62.79427 17.20771 -5.811581      27.92935 
1 1 1 18  24 29 o 71.30273 13.43608 159.3975       54.12568 164.4291       54.49756 -205.5241      464.1093 72.48567 13.30993 77.93920 37.08263 -5.453529      39.39894 
1 1 1 18  24 30 o 29.51793 13.36469 -24.23067      49.71851 -25.90725      49.95267 153.3460       514.0906 29.38113 13.33980 92.63438 42.34166 -63.25325      44.39332 
1 1 1 18  24 31 o 54.28368 17.29021 92.33874       61.98616 92.33874       61.98616 0.000000       0.000000 54.28368 17.29021 ?        ?        0.000000       17.29021 
1 1 1 18  24 32 o 43.43817 17.08498 39.76554       63.78673 54.50425       64.30813 -858.1127      501.9320 46.30053 17.42357 63.82882 31.93681 -17.52829      36.38050 
1 1 1 18  24 33 o 52.04567 17.88575 81.98779       65.97327 95.91053       66.57376 -679.3650      492.3042 55.13408 17.95162 65.80611 32.71865 -10.67203      37.31984 
1 1 1 18  24 34 o 99.76862 13.68620 311.7467       77.97224 327.5825       78.92199 -334.3633      504.1167 102.4081 13.46655 73.61710 35.90221 28.79102       38.34470 
1 1 1 18  24 35 o 132.6561 12.70889 544.5568       97.66700 553.6047       99.92942 351.4972       461.5993 133.6527 12.90915 93.96148 41.76663 39.69120       43.71610 
1 1 1 18  24 36 o 68.48360 20.83450 159.0584       91.13242 172.8711       94.22842 -40.83722      358.4640 71.12830 21.08367 72.17231 33.79952 -1.044014      39.83628 
1 1 1 18  24 37 o 35.57321 16.67457 -70.90191      87.57650 -86.07558      90.77667 132.9956       332.7628 35.18777 16.64170 78.07253 35.02884 -42.88477      38.78100 
1 1 1 18  25 0  o 155.6750 12.08871 720.5756       109.5052 761.6221       492.8765 718.4442       112.3123 151.0660 48.81880 155.3826 12.42818 -4.316544      50.37593 
1 1 1 18  25 1  o 317.0329 9.098292 2963.223       168.9917 3254.988       545.8683 2932.295       177.7228 324.6101 28.97752 315.2724 9.623109 9.337708       30.53361 
1 1 1 18  25 2  o 292.7037 17.91741 2566.257       306.1034 2248.469       525.9568 2729.032       376.4213 266.4778 34.46022 300.5123 21.50009 -34.03455      40.61725 
1 1 1 18  25 3  o 112.7576 35.97197 398.5255       268.2161 -34.13368      486.0016 588.0170       321.6323 98.38683 43.33538 134.1484 38.73007 -35.76157      58.12033 
1 1 1 18  25 4  o 258.4376 19.24941 2009.943       289.6632 2225.891       480.3795 1886.566       363.1002 266.6931 31.30851 248.0372 25.31540 18.65591       40.26279 
1 1 1 18  25 5  o 276.4870 10.53982 2259.181       170.5935 2216.764       189.4138 2441.376       392.5593 273.5989 11.83245 283.0377 23.87119 -9.438751      26.64283 
1 1 1 18  25 6  o 208.8790 11.04360 1292.042       134.8063 1315.988       144.9938 1139.377       366.1017 210.6697 11.78231 188.3115 34.41716 22.35823       36.37806 
1 1 1 18  25 7  o 175.7840 11.00326 916.1489       112.8671 884.6724       117.9860 1255.468       387.3836 172.5968 11.72556 197.6205 34.68876 -25.02370      36.61692 
1 1 1 18  25 8  o 405.4503 10.75886 4858.258       255.6057 4895.330       291.1384 4733.583       533.9046 406.5371 12.22482 394.6911 23.16700 11.84607       26.19458 
1 1 1 18  25 9  o 224.9708 11.41756 1500.342       150.1508 1500.342       150.1508 0.000000       0.000000 224.9708 11.41756 ?        ?        0.000000       11.41756 
1 1 1 18  25 10 o 150.9146 11.78032 678.0436       103.4395 678.0436       103.4395 0.000000       0.000000 150.9146 11.78032 ?        ?        0.000000       11.78032 
1 1 1 18  25 11 o 270.4189 11.00118 2165.813       174.1083 2165.813       174.1083 0.000000       0.000000 270.4189 11.00118 ?        ?        0.000000       11.00118 
1 1 1 18  25 12 o 261.3683 11.07039 2024.294       169.3097 2024.294       169.3097 0.000000       0.000000 261.3683 11.07039 ?        ?        0.000000       11.07039 
1 1 1 18  25 13 o 171.5110 10.83888 873.4579       108.4675 873.4579       108.4675 0.000000       0.000000 171.5110 10.83888 ?        ?        0.000000       10.83888 
1 1 1 18  25 14 o 129.1530 11.74491 498.2170       87.99001 498.2170       87.99001 0.000000       0.000000 129.1530 11.74491 ?        ?        0.000000       11.74491 
1 1 1 18  25 15 o 179.5530 10.64445 957.0668       111.5869 957.0668       111.5869 0.000000       0.000000 179.5530 10.64445 ?        ?        0.000000       10.64445 
1 1 1 18  25 16 o 127.6109 10.44517 484.9475       77.48904 439.4603       84.00372 744.5584       200.6852 121.1348 11.98116 154.6254 22.81469 -33.49053      25.76933 
1 1 1 18  25 17 o 143.6069 9.553524 612.2339       80.00423 620.4115       89.81300 580.8104       176.0573 144.3475 10.68487 136.0303 22.87949 8.317154       25.25148 
1 1 1 18  25 18 o 105.2163 9.893310 330.4384       60.33213 315.3365       67.06564 394.5185       138.1488 102.4740 11.34930 111.7771 21.85735 -9.303040      24.62824 
1 1 1 18  25 19 o 99.33070 9.181861 294.2511       52.88386 354.7557       63.13749 152.0118       96.80611 108.9902 9.988503 70.07483 21.50338 38.91541       23.71003 
1 1 1 18  25 20 o 26.17698 12.78043 -117.4631      64.39238 -500.7560      286.6171 -97.08858      66.08166 53.97768 26.48096 28.16522 13.55740 25.81247       29.74970 
1 1 1 18  25 21 o 169.1913 6.334888 844.9258       62.74798 962.2208       99.96505 768.6627       80.60570 179.8555 9.510876 160.9208 8.571814 18.93468       12.80362 
1 1 1 18  25 22 o 68.63615 31.61209 -126.9073      294.0664 -126.9073      294.0664 0.000000       0.000000 68.63615 31.61209 ?        ?        0.000000       31.61209 
1 1 1 18  25 23 o 190.7500 27.58906 1208.059       299.6859 1208.059       299.6859 0.000000       0.000000 190.7500 27.58906 ?        ?        0.000000       27.58906 
1 1 1 18  25 24 o 107.1196 37.32703 415.8341       287.7609 415.8341       287.7609 0.000000       0.000000 107.1196 37.32703 ?        ?        0.000000       37.32703 
1 1 1 18  25 25 o 87.81584 35.71399 208.6948       288.4096 208.6948       288.4096 0.000000       0.000000 87.81584 35.71399 ?        ?        0.000000       35.71399 
1 1 1 18  25 26 o 78.01627 33.60460 93.18964       278.7297 93.18964       278.7297 0.000000       0.000000 78.01627 33.60460 ?        ?        0.000000       33.60460 
1 1 1 18  25 27 o 103.2626 36.54743 401.6072       276.6012 401.6072       276.6012 0.000000       0.000000 103.2626 36.54743 ?        ?        0.000000       36.54743 
1 1 1 18  25 28 o 68.00957 30.11917 20.62451       237.8457 -154.0290      268.7312 652.1160       510.9909 61.95992 29.09580 118.0370 47.70779 -56.07711      55.88022 
1 1 1 18  25 29 o 63.54025 28.78589 -32.87862      231.0643 -189.8758      255.9516 658.6906       537.1922 58.53947 27.76170 116.5922 48.22226 -58.05270      55.64260 
1 1 1 18  25 30 o 103.1344 33.89677 412.4666       237.1081 591.6624       264.5688 -318.8172      534.4629 122.3184 35.06871 77.96286 37.77785 44.35558       51.54591 
1 1 1 18  25 31 o 65.27406 29.72495 -26.16495      250.3519 -26.16495      250.3519 0.000000       0.000000 65.27406 29.72495 ?        ?        0.000000       29.72495 
1 1 1 18  25 32 o 77.23877 32.86889 152.1555       260.8075 152.1555       260.8075 0.000000       0.000000 77.23877 32.86889 ?        ?        0.000000       32.86889 
1 1 1 18  25 33 o 49.19845 24.17184 -363.2858      241.6002 -246.3913      277.9573 -724.5007      488.6117 57.65700 27.76649 64.38764 32.10724 -6.730640      42.44824 
1 1 1 18  25 34 o 64.59197 16.78901 137.1334       64.17688 141.7512       64.70936 -139.9914      501.2905 65.67390 16.75014 77.69612 37.38427 -12.02222      40.96524 
1 1 1 18  25 35 o 108.2070 12.52978 363.5396       78.04729 335.2215       79.50101 1116.703       410.0014 103.4420 13.42071 151.4511 43.72894 -48.00911      45.74206 
1 1 1 18  25 36 f 104.9863 13.41088 345.6490       80.69066 333.3354       82.75204 583.6123       363.7813 102.7290 14.10739 108.2795 41.28105 -5.550476      43.62503 
1 1 1 18  26 0  o 135.1532 14.60868 548.6481       113.9564 1000.249       534.0927 527.1086       116.6423 169.3804 50.19234 132.2865 15.31724 37.09390       52.47751 
1 1 1 18  26 1  o 165.1509 12.77697 812.4490       122.7923 1127.563       528.0149 794.4327       126.2537 180.0825 48.79235 163.1909 13.30702 16.89154       50.57441 
1 1 1 18  26 2  o 277.8305 10.01694 2280.381       162.9499 1468.846       542.3781 2360.900       170.8425 207.6622 45.76956 282.6344 10.32406 -74.97217      46.91949 
1 1 1 18  26 3  o 103.0603 18.97537 327.8556       110.4668 117.2123       489.2607 339.1705       113.3949 105.6716 44.99540 104.8233 19.15074 0.8482132      48.90130 
1 1 1 18  26 4  o 91.91988 20.19276 263.5586       105.8753 -309.1930      429.6873 300.5800       109.2435 80.25314 37.39287 98.41644 19.61563 -18.16331      42.22558 
1 1 1 18  26 5  o 171.3840 11.38666 872.2772       113.8013 599.6334       363.4150 901.9192       119.8280 134.4783 41.73332 174.2046 11.79826 -39.72632      43.36898 
1 1 1 18  26 6  o 367.2564 8.861142 3975.812       190.8577 4284.563       464.6642 3913.151       209.3309 376.1405 21.14907 364.0067 9.814539 12.13379       23.31541 
1 1 1 18  26 7  f 276.2177 8.871680 2251.617       143.5305 2383.250       443.1956 2236.194       151.7064 276.7697 27.67475 275.1587 9.414783 1.611023       29.23234 
1 1 1 18  26 8  o 54.05418 19.85581 71.58842       82.56429 386.1491       389.2391 56.76836       84.48685 115.5336 42.99004 51.85579 19.86347 63.67776       47.35717 
1 1 1 18  26 9  o 381.8434 11.12857 4317.025       248.9496 0.000000       0.000000 4317.025       248.9496 ?        ?        381.8434 11.12857 0.000000       11.12857 
1 1 1 18  26 10 f 252.5421 9.693246 1885.830       143.3001 0.000000       0.000000 1885.830       143.3001 ?        ?        252.5421 9.693246 0.000000       9.693246 
1 1 1 18  26 11 o 150.6082 10.44687 673.7632       91.70341 688.0306       383.1118 672.8961       94.44907 141.7521 42.63152 150.4495 10.77561 -8.697449      43.97227 
1 1 1 18  26 12 o 28.77069 13.95691 -122.6319      73.48428 -422.9752      364.1620 -109.8830      75.02769 67.71816 32.39245 30.11993 14.48491 37.59823       35.48357 
1 1 1 18  26 13 o 69.41323 17.64292 150.2658       71.96435 113.3720       335.4830 152.0453       73.67947 90.40173 37.80675 69.81116 17.90954 20.59057       41.83422 
1 1 1 18  26 14 o 141.5365 10.44604 595.8651       86.09933 665.2370       356.0892 591.5576       88.73218 139.0788 40.92398 140.9494 10.81680 -1.870605      42.32936 
1 1 1 18  26 15 o 137.1994 10.57828 560.5977       84.46049 542.5460       354.2374 561.6857       86.96867 126.4661 41.42435 137.2701 10.89203 -10.80395      42.83238 
1 1 1 18  26 16 o 171.0271 7.843997 864.4388       78.46842 987.8881       353.2544 858.0315       80.47903 170.8219 36.37668 170.3507 8.078440 0.4712067      37.26291 
1 1 1 18  26 17 o 114.5637 18.92765 407.9716       122.7356 183.4683       329.6450 444.1026       132.2437 93.46880 38.11856 119.4235 19.55780 -25.95475      42.84311 
1 1 1 18  26 18 o 98.91350 14.55844 299.3824       81.93046 267.7823       321.7492 301.5735       84.72330 98.72968 38.50689 99.14733 15.04199 -0.4176559     41.34056 
1 1 1 18  26 19 o 82.21991 34.79151 95.65746       289.4221 95.65746       289.4221 0.000000       0.000000 82.21991 34.79151 ?        ?        0.000000       34.79151 
1 1 1 18  26 20 o 75.77734 33.28387 14.97585       284.8580 14.97585       284.8580 0.000000       0.000000 75.77734 33.28387 ?        ?        0.000000       33.28387 
1 1 1 18  26 21 o 100.4144 37.28550 333.6936       292.5019 333.6936       292.5019 0.000000       0.000000 100.4144 37.28550 ?        ?        0.000000       37.28550 
1 1 1 18  26 22 o 209.2972 25.92364 1436.020       311.4102 1436.020       311.4102 0.000000       0.000000 209.2972 25.92364 ?        ?        0.000000       25.92364 
1 1 1 18  26 23 o 89.40893 36.14014 221.1951       293.2626 221.1951       293.2626 0.000000       0.000000 89.40893 36.14014 ?        ?        0.000000       36.14014 
1 1 1 18  26 24 o 81.42760 34.95369 111.5474       299.5983 111.5474       299.5983 0.000000       0.000000 81.42760 34.95369 ?        ?        0.000000       34.95369 
1 1 1 18  26 25 o 75.19807 33.33998 32.15861       292.2364 32.15861       292.2364 0.000000       0.000000 75.19807 33.33998 ?        ?        0.000000       33.33998 
1 1 1 18  26 26 o 174.0726 31.09764 1079.339       305.8227 1079.339       305.8227 0.000000       0.000000 174.0726 31.09764 ?        ?        0.000000       31.09764 
1 1 1 18  26 27 o 60.94859 28.88055 -195.1423      275.9055 -195.1423      275.9055 0.000000       0.000000 60.94859 28.88055 ?        ?        0.000000       28.88055 
1 1 1 18  26 28 o 78.99078 31.17114 187.9451       212.9496 166.1302       236.4668 281.5441       489.8126 78.46332 32.17516 96.95644 43.06524 -18.49313      53.75738 
1 1 1 18  26 29 o 98.03990 32.15620 363.0481       213.4274 433.7489       237.8371 70.68019       483.6512 105.5267 33.89520 86.96307 40.22644 18.56358       52.60277 
1 1 1 18  26 30 o 76.78072 31.47966 166.7438       226.3043 62.99102       254.9044 552.8288       491.7214 71.11890 31.35229 107.7539 45.46007 -36.63500      55.22304 
1 1 1 18  26 31 o 59.02149 27.43533 -89.21909      229.1718 7.014091       264.2925 -380.8469      460.0837 68.07555 30.81877 69.97515 34.16369 -1.899597      46.01037 
1 1 1 18  26 32 o 174.7986 29.02051 1115.826       287.0761 1115.826       287.0761 0.000000       0.000000 174.7986 29.02051 ?        ?        0.000000       29.02051 
1 1 1 18  26 33 o 52.95216 25.74095 -288.9983      253.4277 -395.8563      292.4380 33.29436       507.8735 54.08867 26.57830 83.10954 39.32286 -29.02086      47.46255 
1 1 1 18  26 34 o 115.3119 33.93318 549.4943       244.8150 609.6555       292.2411 407.9292       448.2919 117.0390 37.57042 95.90145 41.94851 21.13754       56.31353 
1 1 1 18  26 35 o 77.27211 32.54691 181.0231       251.3845 16.20831       307.8159 511.0771       435.5975 70.75137 32.49722 100.9433 42.69693 -30.19196      53.65722 
1 1 1 18  27 0  o 88.10516 22.41857 244.4681       116.1066 669.1313       538.6000 223.7718       118.9023 141.9686 50.91798 84.42040 23.26912 57.54823       55.98296 
1 1 1 18  27 1  o 90.95718 23.22957 261.1812       124.3398 0.000000       0.000000 261.1812       124.3398 ?        ?        90.95718 23.22957 0.000000       23.22957 
1 1 1 18  27 2  o 330.6071 9.968313 3230.493       193.0581 2582.616       553.1607 3320.355       206.0122 283.9681 33.88245 335.0350 10.49757 -51.06686      35.47139 
1 1 1 18  27 3  o 54.01412 22.17600 33.87292       112.5022 -367.0499      462.4958 59.08779       115.9860 81.23173 38.15343 57.87552 22.95224 23.35621       44.52515 
1 1 1 18  27 4  o 102.1375 18.40749 322.2338       106.2079 -229.3825      407.2556 362.4875       110.0149 80.40646 37.09377 108.6132 17.89360 -28.20676      41.18409 
1 1 1 18  27 5  o 177.2097 11.84407 934.2604       122.3880 768.2654       399.6233 951.4412       128.5658 149.5463 43.16983 178.7300 12.34105 -29.18370      44.89917 
1 1 1 18  27 6  o 121.6714 14.85274 447.3510       103.7911 122.4446       386.5380 472.5970       107.7481 96.14494 40.41929 125.0714 14.98740 -28.92648      43.10848 
1 1 1 18  27 7  o 149.9988 11.73439 670.5298       102.4072 1399.339       404.7503 620.6836       105.8514 207.3283 34.49908 144.0891 12.65447 63.23915       36.74673 
1 1 1 18  27 8  f 173.7935 10.18516 895.7147       103.3581 1656.885       400.2253 841.3224       106.9873 228.0330 30.70619 168.2774 10.89930 59.75566       32.58320 
1 1 1 18  27 9  o 96.54584 17.80815 288.3257       97.11907 0.000000       0.000000 288.3257       97.11907 ?        ?        96.54584 17.80815 0.000000       17.80815 
1 1 1 18  27 10 o 231.6030 9.721564 1587.469       131.7540 1354.298       380.6936 1619.198       140.4326 204.3891 32.87361 233.7871 10.26732 -29.39799      34.43969 
1 1 1 18  27 11 o 101.1671 16.59497 314.2785       95.05055 -363.9369      373.8038 361.1619       98.28097 70.80492 33.57006 108.8005 15.86947 -37.99561      37.13205 
1 1 1 18  27 12 o 138.4593 12.41327 573.8669       99.73117 306.6793       352.0167 597.1848       103.9920 105.7214 40.53321 141.2012 12.69305 -35.47977      42.47417 
1 1 1 18  27 13 f 200.0237 9.766031 1185.943       114.2182 1525.032       387.3722 1153.656       119.5323 217.1237 31.32567 197.1395 10.37511 19.98425       32.99910 
1 1 1 18  27 14 o 151.4819 41.65135 810.4196       381.4954 810.4196       381.4954 0.000000       0.000000 151.4819 41.65135 ?        ?        0.000000       41.65135 
1 1 1 18  27 15 o 188.9402 8.237488 1055.882       91.05939 1196.758       365.5738 1046.563       94.02286 189.2452 34.19646 188.0410 8.548059 1.204132       35.24865 
1 1 1 18  27 16 o 66.19682 24.21181 116.4504       122.5582 116.8058       346.5901 116.3996       131.0233 89.74554 38.02879 67.16451 24.95167 22.58103       45.48378 
1 1 1 18  27 17 o 91.61357 14.38870 257.8008       74.76412 -60.61378      311.4407 277.2726       77.01620 75.04557 33.76139 95.12091 14.24323 -20.07534      36.64289 
1 1 1 18  27 18 o 62.35591 29.49537 -248.9347      285.3756 -248.9347      285.3756 0.000000       0.000000 62.35591 29.49537 ?        ?        0.000000       29.49537 
1 1 1 18  27 19 o 108.2273 37.39529 411.1225       288.5300 411.1225       288.5300 0.000000       0.000000 108.2273 37.39529 ?        ?        0.000000       37.39529 
1 1 1 18  27 20 o 105.4936 37.52251 391.4495       291.8748 391.4495       291.8748 0.000000       0.000000 105.4936 37.52251 ?        ?        0.000000       37.52251 
1 1 1 18  27 21 o 75.86532 33.60213 18.14141       296.1196 18.14141       296.1196 0.000000       0.000000 75.86532 33.60213 ?        ?        0.000000       33.60213 
1 1 1 18  27 22 o 86.79029 35.65734 192.4368       291.1262 192.4368       291.1262 0.000000       0.000000 86.79029 35.65734 ?        ?        0.000000       35.65734 
1 1 1 18  27 23 o 170.1928 31.32640 1017.490       301.1632 1017.490       301.1632 0.000000       0.000000 170.1928 31.32640 ?        ?        0.000000       31.32640 
1 1 1 18  27 24 f 95.17091 37.14903 306.5645       299.6541 306.5645       299.6541 0.000000       0.000000 95.17091 37.14903 ?        ?        0.000000       37.14903 
1 1 1 18  27 25 o 94.64289 35.87634 318.5918       273.7935 318.5918       273.7935 0.000000       0.000000 94.64289 35.87634 ?        ?        0.000000       35.87634 
1 1 1 18  27 26 o 70.73199 31.12369 44.98709       250.1120 44.98709       250.1120 0.000000       0.000000 70.73199 31.12369 ?        ?        0.000000       31.12369 
1 1 1 18  27 27 o 70.13898 31.02851 38.99979       251.7579 38.99979       251.7579 0.000000       0.000000 70.13898 31.02851 ?        ?        0.000000       31.02851 
1 1 1 18  27 28 o 70.25807 31.09980 45.11163       253.2842 45.11163       253.2842 0.000000       0.000000 70.25807 31.09980 ?        ?        0.000000       31.09980 
1 1 1 18  27 29 o 79.29957 31.72776 197.2634       223.5647 441.3563       254.3403 -632.2325      468.8616 104.5149 35.12942 65.42319 32.42509 39.09169       47.80651 
1 1 1 18  27 30 o 70.88563 30.48735 98.84664       228.7585 -14.65596      257.4685 524.3359       498.5003 66.14349 30.13001 104.5008 44.97585 -38.35732      54.13543 
1 1 1 18  27 31 o 112.0838 33.13828 503.0676       233.0253 451.6208       261.8409 698.9746       510.9557 103.9167 35.63482 112.6216 46.84420 -8.704918      58.85762 
1 1 1 18  27 32 o 134.3813 36.82473 768.7285       298.7771 768.7285       298.7771 0.000000       0.000000 134.3813 36.82473 ?        ?        0.000000       36.82473 
1 1 1 18  27 33 o 72.85468 33.27901 40.91713       316.8996 40.91713       316.8996 0.000000       0.000000 72.85468 33.27901 ?        ?        0.000000       33.27901 
1 1 1 18  27 34 o 115.1858 35.02113 564.2383       257.5471 574.0027       316.0014 544.9199       444.4799 110.7299 39.07529 102.7336 43.27497 7.996323       58.30611 
1 1 1 18  28 0  o 352.7054 9.177109 3674.106       189.6704 4150.062       589.6431 3619.175       200.3168 364.6034 27.78440 349.8903 9.771482 14.71304       29.45258 
1 1 1 18  28 1  o 269.1724 10.14145 2144.490       159.8099 2531.659       545.4630 2108.136       167.1444 280.1636 33.88498 266.7364 10.70638 13.42722       35.53616 
1 1 1 18  28 2  o 362.7292 9.804575 3889.774       208.3835 2955.634       500.5484 4085.616       229.1887 307.1595 28.09722 371.5250 10.52914 -64.36551      30.00528 
1 1 1 18  28 3  o 284.8163 9.927520 2399.897       165.5738 1755.573       466.9284 2492.569       177.0810 231.6803 35.49354 290.1396 10.42367 -58.45930      36.99249 
1 1 1 18  28 4  o 257.2156 9.729502 1957.232       146.5058 2474.251       444.1409 1894.107       155.1921 281.2853 27.26448 252.8476 10.48828 28.43777       29.21226 
1 1 1 18  28 5  o 210.2919 10.88117 1312.353       133.7424 1174.406       405.6125 1329.180       141.6650 186.9944 38.27575 211.5022 11.46367 -24.50775      39.95558 
1 1 1 18  28 6  o 285.2426 9.156576 2404.346       152.9801 2600.112       388.1805 2368.351       166.4510 290.9101 22.93771 282.8751 10.04921 8.035004       25.04247 
1 1 1 18  28 7  f 213.4739 9.571807 1348.923       119.5317 2133.521       391.5810 1268.301       125.5228 261.6473 25.85615 206.8111 10.38220 54.83617       27.86271 
1 1 1 18  28 8  o 159.7056 11.35186 759.5914       105.6324 458.2815       364.2460 787.2590       110.3758 119.3290 41.96558 162.5353 11.65652 -43.20621      43.55439 
1 1 1 18  28 9  o 215.9348 9.960679 1381.716       125.8029 1618.974       390.3035 1354.209       132.8955 224.7555 30.38802 213.6125 10.64149 11.14291       32.19740 
1 1 1 18  28 10 o 261.6484 9.848661 2027.521       150.8586 2216.494       403.2577 1996.770       162.6703 265.9260 26.19638 259.4189 10.71500 6.507080       28.30303 
1 1 1 18  28 11 o 162.1098 12.18033 785.3822       114.9559 1371.416       400.9338 732.8899       119.9939 203.1592 34.90765 156.3056 13.21350 46.85353       37.32480 
1 1 1 18  28 12 o 214.2676 9.761152 1361.440       122.3393 2379.958       407.7218 1260.666       128.2488 275.3595 25.53820 205.9467 10.65435 69.41287       27.67156 
1 1 1 18  28 13 o 61.14193 20.68030 108.2201       88.14126 -536.7362      377.9365 145.3172       90.64070 64.88847 31.51834 68.50006 20.76563 -3.611595      37.74410 
1 1 1 18  28 14 o 37.49829 16.58123 -19.52112      71.81579 -356.0535      359.9090 -5.566225      73.28965 68.25823 32.52689 39.67099 17.16032 28.58724       36.77601 
1 1 1 18  28 15 o 256.5959 11.20565 1963.416       168.2244 2148.478       349.0662 1907.432       191.9907 261.6864 22.97753 252.1684 13.02607 9.517944       26.41298 
1 1 1 18  28 16 o 67.04460 31.23557 -184.5247      299.7160 -184.5247      299.7160 0.000000       0.000000 67.04460 31.23557 ?        ?        0.000000       31.23557 
1 1 1 18  28 17 o 57.88879 28.04966 -392.2006      294.5731 -392.2006      294.5731 0.000000       0.000000 57.88879 28.04966 ?        ?        0.000000       28.04966 
1 1 1 18  28 18 o 63.88981 30.11636 -219.9917      292.7994 -219.9917      292.7994 0.000000       0.000000 63.88981 30.11636 ?        ?        0.000000       30.11636 
1 1 1 18  28 19 o 113.3539 37.77312 474.0312       294.1420 474.0312       294.1420 0.000000       0.000000 113.3539 37.77312 ?        ?        0.000000       37.77312 
1 1 1 18  28 20 o 84.39401 35.44751 152.4371       296.8792 152.4371       296.8792 0.000000       0.000000 84.39401 35.44751 ?        ?        0.000000       35.44751 
1 1 1 18  28 21 o 113.7621 38.39479 493.0348       303.8122 493.0348       303.8122 0.000000       0.000000 113.7621 38.39479 ?        ?        0.000000       38.39479 
1 1 1 18  28 22 o 89.52853 36.12485 236.5711       292.4421 236.5711       292.4421 0.000000       0.000000 89.52853 36.12485 ?        ?        0.000000       36.12485 
1 1 1 18  28 23 o 146.9491 36.52680 826.6516       313.4368 826.6516       313.4368 0.000000       0.000000 146.9491 36.52680 ?        ?        0.000000       36.52680 
1 1 1 18  28 24 o 105.2584 38.98161 437.5321       319.3346 437.5321       319.3346 0.000000       0.000000 105.2584 38.98161 ?        ?        0.000000       38.98161 
1 1 1 18  28 25 o 182.3539 30.27311 1188.843       312.4116 1188.843       312.4116 0.000000       0.000000 182.3539 30.27311 ?        ?        0.000000       30.27311 
1 1 1 18  28 26 o 131.6749 34.56732 674.0481       270.2829 674.0481       270.2829 0.000000       0.000000 131.6749 34.56732 ?        ?        0.000000       34.56732 
1 1 1 18  28 27 o 182.1589 26.46406 1153.084       274.4555 1153.084       274.4555 0.000000       0.000000 182.1589 26.46406 ?        ?        0.000000       26.46406 
1 1 1 18  28 28 o 93.06748 35.10806 334.6228       261.4534 334.6228       261.4534 0.000000       0.000000 93.06748 35.10806 ?        ?        0.000000       35.10806 
1 1 1 18  28 29 o 75.60123 31.49151 157.1915       231.4025 187.4144       262.9641 53.47068       487.1483 79.77076 33.42409 84.09168 39.38815 -4.320923      51.65846 
1 1 1 18  28 30 o 78.75107 31.66052 201.2639       223.7416 88.92329       248.1976 688.5215       516.9023 71.37278 31.21630 111.5862 46.81512 -40.21338      56.26822 
1 1 1 18  28 31 o 104.6718 34.28908 455.2813       242.7112 565.1348       281.5613 137.5615       478.8376 113.7658 36.90894 85.34914 39.66792 28.41663       54.18314 
1 1 1 18  28 32 o 184.9960 23.86609 1185.884       252.9100 1199.433       300.4441 1152.937       468.5174 179.0979 29.63953 144.6920 47.65298 34.40591       56.11870 
1 1 1 18  28 33 o 63.30426 30.14273 -154.3041      307.8527 -154.3041      307.8527 0.000000       0.000000 63.30426 30.14273 ?        ?        0.000000       30.14273 
1 1 1 18  29 0  o 91.99403 23.68836 269.4084       128.5707 -726.6094      493.9491 341.7945       133.1607 73.25462 35.68385 103.9347 22.49916 -30.68008      42.18471 
1 1 1 18  29 1  o 129.0761 18.18407 511.0366       133.8434 521.9634       435.6732 509.8979       140.6447 126.4853 45.73959 128.6033 19.23766 -2.117989      49.62054 
1 1 1 18  29 2  o 167.1100 14.05197 838.0618       136.4432 1707.881       425.5733 738.4088       144.0473 229.6782 32.50090 156.2640 15.94097 73.41423       36.19976 
1 1 1 18  29 3  o 233.6181 10.95254 1620.130       149.6446 958.5057       431.8871 1710.399       159.5267 164.7439 43.90680 239.9399 11.36888 -75.19594      45.35480 
1 1 1 18  29 4  o 52.19987 22.18592 9.541615       118.5683 -481.8404      385.4918 60.88530       124.6089 68.05799 32.75608 59.33480 23.70486 8.723186       40.43366 
1 1 1 18  29 5  o 184.1987 12.74000 1013.601       136.7799 914.2906       411.6267 1025.928       145.0204 161.1506 42.82603 185.1272 13.44870 -23.97662      44.88804 
1 1 1 18  29 6  o 228.7694 10.45043 1552.739       139.8408 1663.971       441.3977 1540.329       147.4355 224.7556 34.59427 227.6890 11.07425 -2.933334      36.32358 
1 1 1 18  29 7  o 93.42491 19.70925 274.2220       104.5881 223.5349       372.1027 278.5699       108.9815 100.2093 40.63543 94.01728 20.35579 6.192001       45.44883 
1 1 1 18  29 8  o 185.6118 11.13300 1025.620       120.6334 1582.014       386.7914 965.6680       126.9664 221.1396 30.64627 179.8374 12.10870 41.30220       32.95170 
1 1 1 18  29 9  o 84.47870 21.51445 226.8808       106.8658 191.2686       370.3775 230.1147       111.6127 97.35838 40.13188 85.00318 22.16385 12.35520       45.84543 
1 1 1 18  29 10 o 178.1915 11.68602 947.9378       121.4509 1213.857       382.1300 918.0581       128.0927 189.4131 35.70866 175.1085 12.55622 14.30467       37.85191 
1 1 1 18  29 11 o 128.2450 14.76873 499.5525       109.0537 645.5302       380.0196 486.4523       113.8419 133.9863 42.82579 126.2462 15.71488 7.740074       45.61804 
1 1 1 18  29 12 o 183.5174 10.54399 1003.390       113.0059 1066.149       377.5114 997.2130       118.4368 174.3426 37.99680 182.7945 11.10004 -8.451920      39.58494 
1 1 1 18  29 13 o 37.71084 17.22114 -50.34713      84.78583 -11.92875      321.2814 -53.22297      87.90192 78.61378 34.90033 38.27363 17.49962 40.34015       39.04190 
1 1 1 18  29 14 o 45.91462 18.61193 31.26453       78.02895 -448.2878      320.8321 61.41344       80.44437 59.66370 28.99414 51.29206 19.44586 8.371643       34.91134 
1 1 1 18  29 15 o 168.3596 11.71067 851.3594       114.9091 1228.456       331.2661 799.7791       122.5161 190.7724 30.64567 162.7274 12.94415 28.04503       33.26722 
1 1 1 18  29 16 o 99.66039 38.55708 317.4825       320.5801 317.4825       320.5801 0.000000       0.000000 99.66039 38.55708 ?        ?        0.000000       38.55708 
1 1 1 18  29 17 o 97.23289 38.38941 293.7747       323.1429 293.7747       323.1429 0.000000       0.000000 97.23289 38.38941 ?        ?        0.000000       38.38941 
1 1 1 18  29 18 o 90.93916 37.64399 214.6749       327.7393 214.6749       327.7393 0.000000       0.000000 90.93916 37.64399 ?        ?        0.000000       37.64399 
1 1 1 18  29 19 o 69.64715 32.34497 -134.0342      317.4122 -134.0342      317.4122 0.000000       0.000000 69.64715 32.34497 ?        ?        0.000000       32.34497 
1 1 1 18  29 20 o 207.4964 26.76723 1443.251       318.1543 1443.251       318.1543 0.000000       0.000000 207.4964 26.76723 ?        ?        0.000000       26.76723 
1 1 1 18  29 21 o 72.97832 32.92274 -13.05641      298.5190 -13.05641      298.5190 0.000000       0.000000 72.97832 32.92274 ?        ?        0.000000       32.92274 
1 1 1 18  29 22 o 83.63279 34.68972 185.1648       279.0998 185.1648       279.0998 0.000000       0.000000 83.63279 34.68972 ?        ?        0.000000       34.68972 
1 1 1 18  29 23 o 187.3582 27.88908 1219.292       297.1210 1219.292       297.1210 0.000000       0.000000 187.3582 27.88908 ?        ?        0.000000       27.88908 
1 1 1 18  29 24 o 104.8074 38.18081 441.2220       304.3277 441.2220       304.3277 0.000000       0.000000 104.8074 38.18081 ?        ?        0.000000       38.18081 
1 1 1 18  29 25 o 62.28061 29.33298 -152.1161      276.7089 -152.1161      276.7089 0.000000       0.000000 62.28061 29.33298 ?        ?        0.000000       29.33298 
1 1 1 18  29 26 o 77.46601 33.17860 139.0399       268.8211 139.0399       268.8211 0.000000       0.000000 77.46601 33.17860 ?        ?        0.000000       33.17860 
1 1 1 18  29 27 o 113.3812 37.11562 543.9330       284.3977 543.9330       284.3977 0.000000       0.000000 113.3812 37.11562 ?        ?        0.000000       37.11562 
1 1 1 18  29 28 f 78.63628 33.73704 162.6617       278.8202 162.6617       278.8202 0.000000       0.000000 78.63628 33.73704 ?        ?        0.000000       33.73704 
1 1 1 18  29 29 o 76.83286 32.38939 164.5018       249.2955 164.5018       249.2955 0.000000       0.000000 76.83286 32.38939 ?        ?        0.000000       32.38939 
1 1 1 18  29 30 o 60.16598 28.18467 -99.68885      249.5540 -79.32779      292.6567 -153.9460      477.7349 65.40412 30.60071 75.73100 36.45316 -10.32687      47.59450 
1 1 1 18  29 31 o 130.4015 32.93267 683.6174       251.8814 588.9308       296.8132 927.2842       476.1430 113.9987 37.94312 125.9083 47.40401 -11.90957      60.71920 
1 1 1 18  29 32 o 55.06324 26.57379 -234.3742      257.8491 -207.4144      303.5723 -304.2010      488.5569 60.86336 29.23519 71.73935 35.06376 -10.87599      45.65264 
1 1 1 18  30 0  o 220.8374 11.93954 1453.572       154.0610 1301.945       470.2569 1471.802       163.0598 191.8445 42.87613 222.0274 12.57386 -30.18292      44.68181 
1 1 1 18  30 1  o 183.0249 13.24969 1003.704       141.2590 1862.604       440.6269 905.3188       149.1302 238.9225 32.27014 173.3076 14.81419 65.61490       35.50806 
1 1 1 18  30 2  o 163.4595 15.33268 807.7166       145.2710 0.000000       0.000000 807.7166       145.2710 ?        ?        163.4595 15.33268 0.000000       15.33268 
1 1 1 18  30 3  o 307.5905 10.52207 2807.442       189.5329 0.000000       0.000000 2807.442       189.5329 ?        ?        307.5905 10.52207 0.000000       10.52207 
1 1 1 18  30 4  o 198.4023 12.20892 1175.503       141.3729 1406.932       418.8949 1145.755       150.1843 204.1550 36.31713 195.5781 13.17023 8.576889       38.63145 
1 1 1 18  30 5  f 73.30209 24.25786 161.9820       121.3609 213.6602       426.4418 157.4277       126.5957 102.5491 42.73611 72.95422 24.78332 29.59489       49.40231 
1 1 1 18  30 6  o 97.14418 20.48347 298.4934       113.0188 13.68335       382.3903 325.7544       118.3040 87.30126 38.44655 101.5557 20.56899 -14.25442      43.60299 
1 1 1 18  30 7  o 160.4451 12.77909 772.5596       119.2549 978.8813       389.4899 751.2166       125.2713 166.0752 40.38449 157.9432 13.65792 8.132019       42.63151 
1 1 1 18  30 8  o 63.64639 22.68926 111.7594       106.7790 156.9180       377.0164 107.8211       111.3378 94.62497 39.85733 63.54833 23.10223 31.07664       46.06865 
1 1 1 18  30 9  o 174.3595 11.96508 910.4438       121.6105 0.000000       0.000000 910.4438       121.6105 ?        ?        174.3595 11.96508 0.000000       11.96508 
1 1 1 18  30 10 o 115.0931 16.51824 408.7899       108.3059 -206.4860      354.0995 472.2909       113.7577 72.76026 33.91612 124.0297 16.01208 -51.26942      37.50586 
1 1 1 18  30 11 o 266.9097 9.728074 2117.801       152.0249 2179.000       381.7784 2106.269       165.7312 260.9285 25.26391 265.8228 10.65226 -4.894257      27.41780 
1 1 1 18  30 12 o 38.47184 17.70756 -61.97568      92.05671 89.86790       347.4049 -73.44278      95.46947 86.18639 37.32123 38.36636 17.79062 47.82003       41.34466 
1 1 1 18  30 13 o 123.9366 12.88149 466.0592       92.26595 646.8869       341.3074 451.8026       95.83409 130.8212 40.41815 121.7564 13.65583 9.064812       42.66273 
1 1 1 18  30 14 o 207.7815 13.41026 1306.549       162.5433 1232.073       355.8049 1326.191       182.7247 187.5649 33.57825 208.5169 15.04301 -20.95201      36.79390 
1 1 1 18  30 15 o 82.11155 35.82866 76.76408       325.2926 76.76408       325.2926 0.000000       0.000000 82.11155 35.82866 ?        ?        0.000000       35.82866 
1 1 1 18  30 16 o 106.3449 39.24703 410.3166       323.2028 410.3166       323.2028 0.000000       0.000000 106.3449 39.24703 ?        ?        0.000000       39.24703 
1 1 1 18  30 17 o 127.3505 40.52480 642.0242       340.5807 642.0242       340.5807 0.000000       0.000000 127.3505 40.52480 ?        ?        0.000000       40.52480 
1 1 1 18  30 18 o 109.1979 40.00397 454.2449       334.7818 454.2449       334.7818 0.000000       0.000000 109.1979 40.00397 ?        ?        0.000000       40.00397 
1 1 1 18  30 19 o 170.4280 33.96328 1059.685       327.5468 1059.685       327.5468 0.000000       0.000000 170.4280 33.96328 ?        ?        0.000000       33.96328 
1 1 1 18  30 20 o 70.78799 32.43240 -58.22943      303.9856 -58.22943      303.9856 0.000000       0.000000 70.78799 32.43240 ?        ?        0.000000       32.43240 
1 1 1 18  30 21 o 53.29172 26.18430 -438.9060      283.6245 -438.9060      283.6245 0.000000       0.000000 53.29172 26.18430 ?        ?        0.000000       26.18430 
1 1 1 18  30 22 o 119.6936 36.77393 574.8156       283.0129 574.8156       283.0129 0.000000       0.000000 119.6936 36.77393 ?        ?        0.000000       36.77393 
1 1 1 18  30 23 o 67.33397 31.12200 -73.86264      288.6577 -73.86264      288.6577 0.000000       0.000000 67.33397 31.12200 ?        ?        0.000000       31.12200 
1 1 1 18  30 24 o 52.67379 25.65475 -327.8630      255.0543 -327.8630      255.0543 0.000000       0.000000 52.67379 25.65475 ?        ?        0.000000       25.65475 
1 1 1 18  30 25 o 132.9703 33.49041 689.6295       260.9896 689.6295       260.9896 0.000000       0.000000 132.9703 33.49041 ?        ?        0.000000       33.49041 
1 1 1 18  30 26 o 224.3598 23.23642 1701.170       301.3281 1701.170       301.3281 0.000000       0.000000 224.3598 23.23642 ?        ?        0.000000       23.23642 
1 1 1 18  30 27 o 81.15392 34.85369 187.9416       298.1670 187.9416       298.1670 0.000000       0.000000 81.15392 34.85369 ?        ?        0.000000       34.85369 
1 1 1 18  30 28 o 66.23795 30.14315 -2.575511      256.8889 -2.575511      256.8889 0.000000       0.000000 66.23795 30.14315 ?        ?        0.000000       30.14315 
1 1 1 18  30 29 o 84.35341 35.07665 253.6433       286.3771 253.6433       286.3771 0.000000       0.000000 84.35341 35.07665 ?        ?        0.000000       35.07665 
1 1 1 18  30 30 o 106.2028 35.08977 483.7967       253.9732 702.9258       298.1646 -95.48566      484.7873 125.8066 37.55707 77.11989 37.01796 48.68675       52.73389 
1 1 1 18  30 31 o 69.80561 30.89537 80.58224       249.8836 -34.31387      298.5910 349.1348       456.4978 67.38490 31.32062 91.95228 41.15931 -24.56738      51.72108 
1 1 1 18  31 0  o 41.08034 19.43209 -133.1638      123.8773 -880.7036      422.5585 -62.87740      129.5702 61.19543 30.40715 47.39069 21.50386 13.80474       37.24259 
1 1 1 18  31 1  o 52.74932 22.38671 14.41685       120.4229 176.4773       392.7726 -2.397725      126.5160 96.93220 40.74672 52.18502 22.55989 44.74718       46.57514 
1 1 1 18  31 2  o 151.9365 14.61008 699.1691       128.5833 794.0386       398.1378 688.1214       135.8640 146.7889 43.29403 150.3781 15.63318 -3.589157      46.03009 
1 1 1 18  31 3  o 40.90667 19.15036 -104.5032      114.9000 -232.6573      422.1117 -94.24780      119.4089 79.29346 36.98436 42.69347 19.83124 36.59999       41.96572 
1 1 1 18  31 4  o 138.7968 14.66958 585.1746       117.6072 610.5602       439.7991 583.2195       122.0520 129.1296 46.04582 138.3562 15.29681 -9.226624      48.52020 
1 1 1 18  31 5  o 202.3313 10.73405 1220.577       126.9172 1462.542       413.9282 1195.469       133.3397 206.3729 35.47824 200.0184 11.41421 6.354477       37.26915 
1 1 1 18  31 6  o 179.8431 11.94286 969.4966       125.2522 1572.849       409.4262 907.2000       131.5595 215.3640 33.50452 173.5881 13.01747 41.77589       35.94450 
1 1 1 18  31 7  o 68.58146 23.26030 141.1278       111.5100 555.6843       378.0558 101.6250       116.7020 123.0873 42.79091 62.92602 23.51491 60.16129       48.82635 
1 1 1 18  31 8  o 147.1710 13.30176 655.3301       113.5724 996.9061       346.5213 614.2221       120.2124 167.7448 36.28050 141.9798 14.64681 25.76495       39.12549 
1 1 1 18  31 9  o 125.4037 15.15246 482.3512       109.1839 27.62821       338.3447 535.2083       115.3553 81.58392 36.03670 132.1783 15.15456 -50.59437      39.09354 
1 1 1 18  31 10 o 50.86039 21.36325 23.42383       107.8359 743.2938       348.6700 -52.71684      113.3955 140.1215 40.28544 44.32204 20.11361 95.79947       45.02748 
1 1 1 18  31 11 o 204.9427 10.58721 1256.371       126.8206 1048.464       349.7226 1287.851       136.0835 170.5465 36.09200 207.2440 11.23830 -36.69759      37.80121 
1 1 1 18  31 12 o 48.22504 20.23112 21.44924       96.52331 489.1491       344.7972 -18.31993      100.5434 114.2155 40.76570 44.55208 19.66340 69.66341       45.26027 
1 1 1 18  31 13 o 196.5801 31.91970 1343.952       355.3893 1343.952       355.3893 0.000000       0.000000 196.5801 31.91970 ?        ?        0.000000       31.91970 
1 1 1 18  31 14 o 277.3036 22.80567 2472.115       367.6183 2472.115       367.6183 0.000000       0.000000 277.3036 22.80567 ?        ?        0.000000       22.80567 
1 1 1 18  31 15 o 82.32557 36.08332 85.79447       333.1901 85.79447       333.1901 0.000000       0.000000 82.32557 36.08332 ?        ?        0.000000       36.08332 
1 1 1 18  31 16 o 137.2076 41.20907 760.5775       358.1506 760.5775       358.1506 0.000000       0.000000 137.2076 41.20907 ?        ?        0.000000       41.20907 
1 1 1 18  31 17 o 70.79429 33.15919 -157.4294      345.2303 -157.4294      345.2303 0.000000       0.000000 70.79429 33.15919 ?        ?        0.000000       33.15919 
1 1 1 18  31 18 o 72.99008 33.66637 -75.05770      335.2583 -75.05770      335.2583 0.000000       0.000000 72.99008 33.66637 ?        ?        0.000000       33.66637 
1 1 1 18  31 19 o 96.17890 38.07685 331.4860       318.6963 331.4860       318.6963 0.000000       0.000000 96.17890 38.07685 ?        ?        0.000000       38.07685 
1 1 1 18  31 20 o 103.9183 38.00512 429.6401       301.9654 429.6401       301.9654 0.000000       0.000000 103.9183 38.00512 ?        ?        0.000000       38.00512 
1 1 1 18  31 21 o 106.5525 37.46393 458.9093       290.2804 458.9093       290.2804 0.000000       0.000000 106.5525 37.46393 ?        ?        0.000000       37.46393 
1 1 1 18  31 22 o 61.95487 29.21531 -155.7005      276.0132 -155.7005      276.0132 0.000000       0.000000 61.95487 29.21531 ?        ?        0.000000       29.21531 
1 1 1 18  31 23 o 55.56230 26.95495 -307.3083      274.1701 -307.3083      274.1701 0.000000       0.000000 55.56230 26.95495 ?        ?        0.000000       26.95495 
1 1 1 18  31 24 o 61.06942 28.70076 -127.6888      262.4022 -127.6888      262.4022 0.000000       0.000000 61.06942 28.70076 ?        ?        0.000000       28.70076 
1 1 1 18  31 25 o 84.38821 34.09005 247.9218       260.7587 247.9218       260.7587 0.000000       0.000000 84.38821 34.09005 ?        ?        0.000000       34.09005 
1 1 1 18  31 26 o 65.84283 30.52790 -55.05543      280.9830 -55.05543      280.9830 0.000000       0.000000 65.84283 30.52790 ?        ?        0.000000       30.52790 
1 1 1 18  31 27 o 101.7406 35.13166 435.6805       254.6407 435.6805       254.6407 0.000000       0.000000 101.7406 35.13166 ?        ?        0.000000       35.13166 
1 1 1 18  31 28 o 83.31935 35.21302 239.4276       295.8716 239.4276       295.8716 0.000000       0.000000 83.31935 35.21302 ?        ?        0.000000       35.21302 
1 1 1 18  31 29 o 139.4244 36.90859 840.1946       306.4857 840.1946       306.4857 0.000000       0.000000 139.4244 36.90859 ?        ?        0.000000       36.90859 
1 1 1 18  31 30 o 62.07127 29.46282 -134.7259      289.5336 -134.7259      289.5336 0.000000       0.000000 62.07127 29.46282 ?        ?        0.000000       29.46282 
1 1 1 18  32 0  o 146.1723 15.32830 653.2373       129.4521 161.5829       400.5406 710.5825       136.7934 94.44624 40.47635 152.4379 15.51714 -57.99169      43.34878 
1 1 1 18  32 1  o 199.3367 11.97712 1192.441       139.3742 949.4719       394.4327 1227.106       148.9853 158.6707 41.80816 201.9623 12.64172 -43.29158      43.67763 
1 1 1 18  32 2  o 66.13448 24.59763 116.4804       127.4016 -600.8954      394.9793 199.7832       134.5955 63.72653 31.22709 79.14639 25.50561 -15.41986      40.31956 
1 1 1 18  32 3  o 48.55158 21.37528 -18.34116      118.1181 258.0401       407.5223 -43.68943      123.4159 100.3725 41.79909 47.34199 21.27931 53.03055       46.90387 
1 1 1 18  32 4  o 71.09465 23.56642 156.4479       114.5277 -13.21999      385.1911 172.9016       119.9525 83.50648 37.55899 74.11642 24.09411 9.390060       44.62291 
1 1 1 18  32 5  o 104.4947 19.80688 348.1847       116.9425 -309.4583      399.3016 409.8837       122.3052 72.51654 34.47226 113.9345 18.97046 -41.41792      39.34736 
1 1 1 18  32 6  o 203.6784 11.40442 1244.325       135.6846 1400.318       387.7422 1222.557       144.8425 199.8250 34.32209 201.5110 12.31474 -1.686035      36.46449 
1 1 1 18  32 7  o 283.2651 25.15102 2600.833       413.4904 2600.833       413.4904 0.000000       0.000000 283.2651 25.15102 ?        ?        0.000000       25.15102 
1 1 1 18  32 8  o 63.99566 23.15872 115.8303       111.7133 767.0143       353.8893 43.75829       117.7332 140.8869 40.61069 54.92216 22.63159 85.96473       46.49104 
1 1 1 18  32 9  o 33.24548 16.19150 -170.2074      101.5644 142.0660       329.7713 -202.9319      106.7535 86.40031 36.86980 32.82558 16.11555 53.57472       40.23796 
1 1 1 18  32 10 o 47.98952 20.79487 -0.2026696     108.0009 -79.38843      319.8170 9.989908       114.7414 72.75937 33.30959 50.42440 21.63804 22.33496       39.72070 
1 1 1 18  32 11 o 31.55646 15.54636 -205.5865      102.1908 275.3907       335.1462 -254.8879      107.3005 95.30852 38.59509 30.61345 15.22988 64.69507       41.49132 
1 1 1 18  32 12 o 68.61005 22.41570 149.0346       103.7566 99.41310       325.9063 154.6313       109.4514 82.55896 35.94562 69.85559 23.03354 12.70337       42.69229 
1 1 1 18  32 13 o 276.2354 22.36664 2457.067       359.2552 2457.067       359.2552 0.000000       0.000000 276.2354 22.36664 ?        ?        0.000000       22.36664 
1 1 1 18  32 14 o 69.70710 32.22742 -104.1972      309.8284 -104.1972      309.8284 0.000000       0.000000 69.70710 32.22742 ?        ?        0.000000       32.22742 
1 1 1 18  32 15 o 83.36594 35.90577 137.1725       318.1567 137.1725       318.1567 0.000000       0.000000 83.36594 35.90577 ?        ?        0.000000       35.90577 
1 1 1 18  32 16 o 97.21633 39.44471 326.0023       350.8508 326.0023       350.8508 0.000000       0.000000 97.21633 39.44471 ?        ?        0.000000       39.44471 
1 1 1 18  32 17 o 78.69019 35.66839 24.53948       355.3372 24.53948       355.3372 0.000000       0.000000 78.69019 35.66839 ?        ?        0.000000       35.66839 
1 1 1 18  32 18 o 143.6403 39.28609 850.2944       340.4301 850.2944       340.4301 0.000000       0.000000 143.6403 39.28609 ?        ?        0.000000       39.28609 
1 1 1 18  32 19 o 107.6713 38.60612 477.2064       309.6014 477.2064       309.6014 0.000000       0.000000 107.6713 38.60612 ?        ?        0.000000       38.60612 
1 1 1 18  32 20 o 82.48750 35.10868 179.1149       297.6547 179.1149       297.6547 0.000000       0.000000 82.48750 35.10868 ?        ?        0.000000       35.10868 
1 1 1 18  32 21 o 99.39552 36.90933 397.2684       286.6374 397.2684       286.6374 0.000000       0.000000 99.39552 36.90933 ?        ?        0.000000       36.90933 
1 1 1 18  32 22 o 78.29469 33.69929 147.4793       279.9001 147.4793       279.9001 0.000000       0.000000 78.29469 33.69929 ?        ?        0.000000       33.69929 
1 1 1 18  32 23 o 75.07784 33.06333 101.3215       282.8006 101.3215       282.8006 0.000000       0.000000 75.07784 33.06333 ?        ?        0.000000       33.06333 
1 1 1 18  32 24 o 65.06840 30.27101 -69.29742      279.8888 -69.29742      279.8888 0.000000       0.000000 65.06840 30.27101 ?        ?        0.000000       30.27101 
1 1 1 18  32 25 o 125.9518 36.75694 679.5154       288.2871 679.5154       288.2871 0.000000       0.000000 125.9518 36.75694 ?        ?        0.000000       36.75694 
1 1 1 18  32 26 o 85.17999 33.91057 272.0468       254.1121 272.0468       254.1121 0.000000       0.000000 85.17999 33.91057 ?        ?        0.000000       33.91057 
1 1 1 18  32 27 o 76.64960 33.75513 141.7326       294.7512 141.7326       294.7512 0.000000       0.000000 76.64960 33.75513 ?        ?        0.000000       33.75513 
1 1 1 18  32 28 o 77.94402 34.42823 154.1743       308.8007 154.1743       308.8007 0.000000       0.000000 77.94402 34.42823 ?        ?        0.000000       34.42823 
1 1 1 18  32 29 o 64.12422 30.23821 -94.27869      295.6761 -94.27869      295.6761 0.000000       0.000000 64.12422 30.23821 ?        ?        0.000000       30.23821 
1 1 1 18  33 0  o 279.8309 10.41343 2340.522       170.6011 2240.014       433.1711 2358.974       185.6018 257.8686 29.15311 280.4597 11.30713 -22.59113      31.26908 
1 1 1 18  33 1  o 86.80970 25.74077 251.6682       140.4340 414.7481       398.6658 228.5654       150.0520 108.3456 42.68238 83.28805 26.93810 25.05758       50.47224 
1 1 1 18  33 2  o 43.24469 20.31277 -116.5201      131.1302 -74.51368      383.5470 -122.0801      139.5387 79.23367 36.34961 44.62490 20.95882 34.60876       41.95911 
1 1 1 18  33 3  o 42.04098 19.67935 -102.7118      121.2827 -288.6576      350.4978 -77.41879      129.2685 67.36349 32.10004 45.56939 20.97767 21.79410       38.34678 
1 1 1 18  33 4  o 121.1886 17.87445 461.9940       123.2318 903.1757       362.1838 404.2324       131.0508 153.1077 39.92782 111.9498 20.72328 41.15781       44.98539 
1 1 1 18  33 5  o 193.1177 11.96817 1124.551       134.8841 1006.736       377.5070 1141.793       144.4173 161.7093 40.02309 194.2414 12.74776 -32.53210      42.00420 
1 1 1 18  33 6  o 77.98849 23.63659 199.6906       117.4458 953.2288       363.4955 111.8561       124.1020 157.4863 39.44468 64.46860 24.21633 93.01765       46.28514 
1 1 1 18  33 7  o 48.70628 21.02708 4.207208       109.6099 313.8830       356.4658 -28.13034      115.1908 98.79811 39.87707 46.61766 20.78425 52.18045       44.96850 
1 1 1 18  33 8  o 70.67632 22.85161 159.7773       107.9849 379.5041       358.7881 137.8911       113.2352 103.4566 40.57136 67.27880 23.41701 36.17783       46.84434 
1 1 1 18  33 9  o 88.23502 21.36309 256.4325       109.3556 314.0306       338.6933 249.7291       115.5440 97.64922 39.05777 86.69132 22.52439 10.95790       45.08722 
1 1 1 18  33 10 o 118.0862 18.63848 444.0228       124.8033 334.8953       334.9713 461.6132       134.4863 98.89317 39.07298 119.8535 19.82523 -20.96032      43.81480 
1 1 1 18  33 11 o 38.46803 18.36271 -135.4279      115.7387 257.6689       345.6667 -185.0623      122.8284 93.32097 38.64764 37.25032 18.06432 56.07065       42.66099 
1 1 1 18  33 12 o 207.3009 11.40753 1296.370       138.1547 1660.364       373.3373 1238.616       148.7117 218.3096 29.94785 201.9895 12.61653 16.32007       32.49693 
1 1 1 18  33 13 o 84.11908 36.51908 138.2358       334.3649 138.2358       334.3649 0.000000       0.000000 84.11908 36.51908 ?        ?        0.000000       36.51908 
1 1 1 18  33 14 o 165.4480 36.72203 1054.974       347.0163 1054.974       347.0163 0.000000       0.000000 165.4480 36.72203 ?        ?        0.000000       36.72203 
1 1 1 18  33 15 o 66.10513 31.48346 -225.4291      336.2332 -225.4291      336.2332 0.000000       0.000000 66.10513 31.48346 ?        ?        0.000000       31.48346 
1 1 1 18  33 16 o 80.50000 35.42460 112.6854       324.0715 112.6854       324.0715 0.000000       0.000000 80.50000 35.42460 ?        ?        0.000000       35.42460 
1 1 1 18  33 17 o 78.72952 35.02929 84.51721       325.4773 84.51721       325.4773 0.000000       0.000000 78.72952 35.02929 ?        ?        0.000000       35.02929 
1 1 1 18  33 18 o 145.6113 40.53400 909.3435       358.8371 909.3435       358.8371 0.000000       0.000000 145.6113 40.53400 ?        ?        0.000000       40.53400 
1 1 1 18  33 19 o 108.6769 38.99754 505.6725       315.9797 505.6725       315.9797 0.000000       0.000000 108.6769 38.99754 ?        ?        0.000000       38.99754 
1 1 1 18  33 20 o 96.83756 37.08224 378.9517       294.3880 378.9517       294.3880 0.000000       0.000000 96.83756 37.08224 ?        ?        0.000000       37.08224 
1 1 1 18  33 21 o 98.79735 37.39576 408.2705       297.2152 408.2705       297.2152 0.000000       0.000000 98.79735 37.39576 ?        ?        0.000000       37.39576 
1 1 1 18  33 22 o 83.83251 34.53762 239.7931       274.1179 239.7931       274.1179 0.000000       0.000000 83.83251 34.53762 ?        ?        0.000000       34.53762 
1 1 1 18  33 23 o 69.99834 32.07487 3.517483       297.4533 3.517483       297.4533 0.000000       0.000000 69.99834 32.07487 ?        ?        0.000000       32.07487 
1 1 1 18  33 24 o 80.39553 34.24856 197.2587       283.6868 197.2587       283.6868 0.000000       0.000000 80.39553 34.24856 ?        ?        0.000000       34.24856 
1 1 1 18  33 25 o 72.48979 32.75423 65.85042       296.8387 65.85042       296.8387 0.000000       0.000000 72.48979 32.75423 ?        ?        0.000000       32.75423 
1 1 1 18  33 26 o 55.18477 26.78831 -272.6594      271.8904 -272.6594      271.8904 0.000000       0.000000 55.18477 26.78831 ?        ?        0.000000       26.78831 
1 1 1 18  33 27 o 88.98734 36.83631 324.3975       313.8294 324.3975       313.8294 0.000000       0.000000 88.98734 36.83631 ?        ?        0.000000       36.83631 
1 1 1 18  34 0  f 52.41931 22.95886 -4.865186      134.6737 -215.8674      432.9865 17.73400       141.7024 76.82437 36.33688 55.74442 23.98533 21.07995       43.53923 
1 1 1 18  34 1  o 77.75565 26.27635 196.6617       142.2959 -587.6614      381.4052 323.4852       153.3696 61.09408 30.08577 97.13558 26.28726 -36.04150      39.95214 
1 1 1 18  34 2  o 47.79911 21.72168 -54.73042      132.8184 376.5566       353.4897 -125.6271      143.3198 102.5975 40.25986 44.92858 21.14499 57.66893       45.47491 
1 1 1 18  34 3  o 173.0643 13.79497 915.0030       138.8584 308.5154       350.7382 1027.733       151.2137 97.37668 39.46445 183.2688 14.17883 -85.89217      41.93426 
1 1 1 18  34 4  o 82.99273 24.26467 231.0113       125.5292 838.0886       354.7361 144.1103       134.2134 144.9198 40.28685 69.63058 25.35710 75.28925       47.60265 
1 1 1 18  34 5  f 138.8110 15.55256 597.4901       124.4380 493.2638       354.2983 612.1565       132.9052 111.7891 41.12016 140.0597 16.49599 -28.27065      44.30559 
1 1 1 18  34 6  o 125.0298 17.04922 491.3842       121.7633 276.8862       325.4859 526.2875       131.2968 93.80225 38.01673 129.0746 17.81944 -35.27240      41.98576 
1 1 1 18  34 7  o 41.01175 19.14913 -90.05302      113.6448 -185.5756      325.5915 -76.80104      121.2719 67.61303 31.83645 43.65985 20.17712 23.95318       37.69186 
1 1 1 18  34 8  o 131.5401 15.91061 539.4557       120.2513 721.2053       324.2183 510.4654       129.4871 134.5925 38.89367 126.9441 17.88789 7.648392       42.80998 
1 1 1 18  34 9  f 72.91049 23.73491 173.6286       116.3811 543.1669       324.2332 118.9759       124.6905 115.9123 39.65657 64.97259 24.30101 50.93967       46.51002 
1 1 1 18  34 10 o 101.3611 23.65082 347.6675       138.0127 316.1168       317.9734 354.9910       153.1953 95.42140 37.95092 101.3442 25.73215 -5.922806      45.85211 
1 1 1 18  34 11 o 57.47530 23.91773 52.13740       133.2925 168.8288       322.6626 28.12603       146.3651 84.67071 36.30872 56.96551 24.44168 27.70520       43.76892 
1 1 1 18  34 12 o 179.4911 31.26650 1165.883       317.1794 1165.883       317.1794 0.000000       0.000000 179.4911 31.26650 ?        ?        0.000000       31.26650 
1 1 1 18  34 13 o 67.42764 31.98932 -193.7524      340.4877 -193.7524      340.4877 0.000000       0.000000 67.42764 31.98932 ?        ?        0.000000       31.98932 
1 1 1 18  34 14 o 68.94527 32.50280 -151.4711      341.2026 -151.4711      341.2026 0.000000       0.000000 68.94527 32.50280 ?        ?        0.000000       32.50280 
1 1 1 18  34 15 o 102.4603 40.05264 431.8685       348.7417 431.8685       348.7417 0.000000       0.000000 102.4603 40.05264 ?        ?        0.000000       40.05264 
1 1 1 18  34 16 o 85.63035 37.49113 185.6762       358.8295 185.6762       358.8295 0.000000       0.000000 85.63035 37.49113 ?        ?        0.000000       37.49113 
1 1 1 18  34 17 o 87.51984 37.38359 237.5427       339.6110 237.5427       339.6110 0.000000       0.000000 87.51984 37.38359 ?        ?        0.000000       37.38359 
1 1 1 18  34 18 o 64.22726 30.57430 -185.4850      316.3142 -185.4850      316.3142 0.000000       0.000000 64.22726 30.57430 ?        ?        0.000000       30.57430 
1 1 1 18  34 19 o 80.35269 35.77256 134.2704       339.9479 134.2704       339.9479 0.000000       0.000000 80.35269 35.77256 ?        ?        0.000000       35.77256 
1 1 1 18  34 20 o 55.25338 27.30327 -480.4315      323.5341 -480.4315      323.5341 0.000000       0.000000 55.25338 27.30327 ?        ?        0.000000       27.30327 
1 1 1 18  34 21 o 133.2008 38.62160 784.3592       319.2030 784.3592       319.2030 0.000000       0.000000 133.2008 38.62160 ?        ?        0.000000       38.62160 
1 1 1 18  34 22 o 83.53224 34.70673 242.2733       280.0412 242.2733       280.0412 0.000000       0.000000 83.53224 34.70673 ?        ?        0.000000       34.70673 
1 1 1 18  34 23 f 64.27830 30.44774 -126.7127      306.1506 -126.7127      306.1506 0.000000       0.000000 64.27830 30.44774 ?        ?        0.000000       30.44774 
1 1 1 18  34 24 o 60.05175 28.78935 -192.8141      291.1839 -192.8141      291.1839 0.000000       0.000000 60.05175 28.78935 ?        ?        0.000000       28.78935 
1 1 1 18  34 25 o 71.73427 32.99696 30.32217       318.9682 30.32217       318.9682 0.000000       0.000000 71.73427 32.99696 ?        ?        0.000000       32.99696 
1 1 1 18  34 26 o 128.9364 39.00399 775.8052       320.0164 775.8052       320.0164 0.000000       0.000000 128.9364 39.00399 ?        ?        0.000000       39.00399 
1 1 1 18  35 0  o 54.05062 23.15603 21.42569       131.0057 184.0449       396.9212 1.544848       138.7828 90.33607 39.49398 53.44366 23.35937 36.89242       45.88502 
1 1 1 18  35 1  o 75.36237 26.28088 183.4483       142.6626 558.8625       392.6133 126.3400       153.1296 115.1351 43.10919 68.57992 26.61637 46.55521       50.66393 
1 1 1 18  35 2  o 88.32647 25.14473 267.2778       136.4878 -107.8800      403.8092 315.6655       145.0229 77.30649 36.09595 95.75902 25.40696 -18.45253      44.14104 
1 1 1 18  35 3  o 47.01780 21.48223 -59.98283      132.1537 0.000000       0.000000 -59.98283      132.1537 ?        ?        47.01780 21.48223 0.000000       21.48223 
1 1 1 18  35 4  o 49.70977 21.81759 -6.083029      122.1875 139.0322       376.4794 -23.16837      129.1804 86.44532 38.10583 49.44869 22.03064 36.99663       44.01594 
1 1 1 18  35 5  o 69.48253 24.06107 152.9055       119.4774 -414.9331      355.4899 225.2154       126.8567 62.23611 30.30659 81.45389 24.53925 -19.21778      38.99569 
1 1 1 18  35 6  o 88.05800 23.48691 263.5752       123.5235 105.4155       330.8923 289.1845       133.1490 81.33278 35.79310 91.87542 24.32985 -10.54264      43.27918 
1 1 1 18  35 7  o 190.8744 12.83626 1111.772       142.8578 1315.592       322.8357 1062.143       159.3038 193.1034 29.43575 185.3825 14.77449 7.720886       32.93553 
1 1 1 18  35 8  o 131.0032 17.68974 546.3904       132.4408 176.0653       325.9889 619.5994       144.9418 84.75321 36.42217 139.3257 18.17085 -54.57246      40.70325 
1 1 1 18  35 9  o 42.16359 19.90045 -115.5873      128.5926 -380.8978      330.0417 -68.10255      139.6268 60.02420 29.22323 47.55228 21.85817 12.47192       36.49352 
1 1 1 18  35 10 o 141.5273 18.92960 645.4012       153.1839 726.7587       359.2144 627.3177       169.3547 128.3235 41.69337 137.6497 21.69593 -9.326279      47.00053 
1 1 1 18  35 11 o 131.9114 20.39900 570.2225       152.7252 1056.944       352.7418 457.9319       169.4292 162.0512 37.81000 114.3704 25.86734 47.68081       45.81174 
1 1 1 18  35 12 o 59.38713 28.93908 -376.2581      325.6828 -376.2581      325.6828 0.000000       0.000000 59.38713 28.93908 ?        ?        0.000000       28.93908 
1 1 1 18  35 13 o 98.58900 38.86962 390.3089       330.8555 390.3089       330.8555 0.000000       0.000000 98.58900 38.86962 ?        ?        0.000000       38.86962 
1 1 1 18  35 14 o 57.32234 28.02164 -386.9828      312.3839 -386.9828      312.3839 0.000000       0.000000 57.32234 28.02164 ?        ?        0.000000       28.02164 
1 1 1 18  35 15 o 81.81770 36.78046 120.5969       368.8546 120.5969       368.8546 0.000000       0.000000 81.81770 36.78046 ?        ?        0.000000       36.78046 
1 1 1 18  35 16 o 77.73289 35.54744 51.99007       362.9131 51.99007       362.9131 0.000000       0.000000 77.73289 35.54744 ?        ?        0.000000       35.54744 
1 1 1 18  35 17 o 66.25218 31.54305 -170.4826      336.9383 -170.4826      336.9383 0.000000       0.000000 66.25218 31.54305 ?        ?        0.000000       31.54305 
1 1 1 18  35 18 o 64.64462 30.87091 -184.1230      327.8332 -184.1230      327.8332 0.000000       0.000000 64.64462 30.87091 ?        ?        0.000000       30.87091 
1 1 1 18  35 19 o 100.9403 40.16759 469.4109       356.3899 469.4109       356.3899 0.000000       0.000000 100.9403 40.16759 ?        ?        0.000000       40.16759 
1 1 1 18  35 20 o 63.89426 30.57337 -187.7564      324.9872 -187.7564      324.9872 0.000000       0.000000 63.89426 30.57337 ?        ?        0.000000       30.57337 
1 1 1 18  35 21 o 68.75949 32.18446 -54.05540      324.3159 -54.05540      324.3159 0.000000       0.000000 68.75949 32.18446 ?        ?        0.000000       32.18446 
1 1 1 18  35 22 o 103.9629 37.39973 493.4490       290.8236 493.4490       290.8236 0.000000       0.000000 103.9629 37.39973 ?        ?        0.000000       37.39973 
1 1 1 18  35 23 o 121.2779 38.66630 685.1975       309.9380 685.1975       309.9380 0.000000       0.000000 121.2779 38.66630 ?        ?        0.000000       38.66630 
1 1 1 18  35 24 o 63.44983 30.23276 -144.0145      310.7824 -144.0145      310.7824 0.000000       0.000000 63.44983 30.23276 ?        ?        0.000000       30.23276 
1 1 1 18  36 0  o 101.3395 23.69857 351.7877       138.3196 -162.4995      372.2508 434.1691       148.9867 71.31783 33.72033 113.1884 23.22310 -41.87055      40.94354 
1 1 1 18  36 1  o 89.80492 25.13113 281.1506       137.5476 402.5500       396.1347 264.5075       146.6733 100.9717 41.55047 86.76634 26.43853 14.20535       49.24874 
1 1 1 18  36 2  o 72.40871 25.63041 170.0817       136.0386 -200.3929      414.9824 214.6882       143.9956 73.34615 34.94457 79.17819 26.42990 -5.832047      43.81396 
1 1 1 18  36 3  f 79.38507 25.14776 216.4529       131.2787 383.0793       394.8677 195.7468       139.1967 99.45929 41.25865 76.24732 25.98609 23.21197       48.76016 
1 1 1 18  36 4  o 59.70601 23.84401 82.96116       126.0274 -378.9981      357.1364 148.6698       134.6925 62.61097 30.46376 69.22108 25.37176 -6.610119      39.64552 
1 1 1 18  36 5  o 69.54145 24.85847 153.8956       128.2594 590.4747       355.7121 88.65305       137.5095 115.4747 41.38400 61.72206 24.81836 53.75260       48.25542 
1 1 1 18  36 6  o 92.47120 25.15646 299.7108       140.0232 444.9653       342.9261 270.6478       153.3930 103.3963 39.91154 87.26896 27.11843 16.12738       48.25288 
1 1 1 18  36 7  o 86.77502 26.70584 266.9034       149.1800 22.44614       339.5933 325.3581       166.0608 76.07879 34.63541 94.82678 27.95846 -18.74799      44.51165 
1 1 1 18  36 8  o 72.39701 26.47616 168.1497       146.5470 436.4440       357.0659 113.8024       160.7058 102.2910 40.36420 66.86446 26.84952 35.42655       48.47850 
1 1 1 18  36 9  o 56.21463 23.99965 36.43881       139.8419 -251.2871      354.6040 89.42675       152.1748 65.98333 31.66907 63.26639 25.86197 2.716942       40.88731 
1 1 1 18  36 10 o 91.42646 28.80521 306.5127       172.4554 -443.3932      380.1091 500.8865       193.5191 62.45984 30.61203 117.1737 28.44944 -54.71385      41.79076 
1 1 1 18  36 11 o 94.39890 27.15604 322.8253       158.3907 -335.7878      351.9380 490.1084       177.3688 62.73914 30.46059 117.3591 26.40973 -54.62001      40.31527 
1 1 1 18  36 12 o 72.11456 33.87783 -89.51833      364.9552 -89.51833      364.9552 0.000000       0.000000 72.11456 33.87783 ?        ?        0.000000       33.87783 
1 1 1 18  36 13 o 74.39475 34.41369 -7.292839      354.0114 -7.292839      354.0114 0.000000       0.000000 74.39475 34.41369 ?        ?        0.000000       34.41369 
1 1 1 18  36 14 o 67.32149 31.91815 -143.0323      337.9032 -143.0323      337.9032 0.000000       0.000000 67.32149 31.91815 ?        ?        0.000000       31.91815 
1 1 1 18  36 15 o 88.46252 37.04910 286.9371       322.8731 286.9371       322.8731 0.000000       0.000000 88.46252 37.04910 ?        ?        0.000000       37.04910 
1 1 1 18  36 16 o 84.84665 36.73328 233.4975       336.4016 233.4975       336.4016 0.000000       0.000000 84.84665 36.73328 ?        ?        0.000000       36.73328 
1 1 1 18  36 17 o 98.97980 39.18322 442.2440       337.4658 442.2440       337.4658 0.000000       0.000000 98.97980 39.18322 ?        ?        0.000000       39.18322 
1 1 1 18  36 18 o 75.85372 34.75528 62.70378       349.1552 62.70378       349.1552 0.000000       0.000000 75.85372 34.75528 ?        ?        0.000000       34.75528 
1 1 1 18  36 19 o 83.87157 37.03922 222.7775       357.2482 222.7775       357.2482 0.000000       0.000000 83.87157 37.03922 ?        ?        0.000000       37.03922 
1 1 1 18  36 20 f 90.64339 38.98312 345.9565       373.9821 345.9565       373.9821 0.000000       0.000000 90.64339 38.98312 ?        ?        0.000000       38.98312 
1 1 1 18  36 21 o 53.57998 26.80457 -641.8890      352.9359 -641.8890      352.9359 0.000000       0.000000 53.57998 26.80457 ?        ?        0.000000       26.80457 
1 1 1 18  36 22 o 63.51286 30.61862 -210.8711      340.1030 -210.8711      340.1030 0.000000       0.000000 63.51286 30.61862 ?        ?        0.000000       30.61862 
1 1 1 18  36 23 o 62.03335 29.75296 -174.8390      311.7963 -174.8390      311.7963 0.000000       0.000000 62.03335 29.75296 ?        ?        0.000000       29.75296 
1 1 1 18  37 0  o 74.05114 26.40912 182.5578       144.6759 718.5872       382.7187 93.18819       156.2717 123.5199 43.04709 63.99220 26.18897 59.52766       50.38764 
1 1 1 18  37 1  o 55.88750 23.95965 33.12008       140.4366 -425.7339      381.3280 105.1212       151.0536 63.01834 30.83868 64.75842 26.02142 -1.740078      40.35020 
1 1 1 18  37 2  o 101.2223 24.69583 358.9664       145.2846 590.3636       379.6004 319.2535       157.2583 112.8659 42.36187 94.03156 27.06139 18.83432       50.26776 
1 1 1 18  37 3  o 83.35625 25.84929 245.3977       139.4520 393.7126       365.6065 220.1461       150.8569 98.27454 40.11918 79.44633 27.05305 18.82822       48.38818 
1 1 1 18  37 4  o 128.4822 19.48317 540.0682       142.2097 417.3822       337.9296 566.4711       156.7669 99.94791 39.32042 130.4332 21.22240 -30.48532      44.68205 
1 1 1 18  37 5  o 116.1223 22.61978 458.5351       148.5068 -4.132916      344.8672 563.8602       164.5444 74.41850 34.26030 129.1151 22.54995 -54.69656      41.01546 
1 1 1 18  37 6  o 60.66854 25.72226 58.91529       158.7168 84.93761       357.1756 52.51261       177.1699 79.34300 35.88250 62.28528 26.80985 17.05772       44.79199 
1 1 1 18  37 7  o 98.73927 28.33181 360.1302       172.6142 208.5719       374.6341 400.9766       194.4887 86.49322 38.07402 102.8277 30.24108 -16.33446      48.62257 
1 1 1 18  37 8  o 75.05849 27.34054 189.7602       156.0447 -262.1933      389.7128 276.0566       170.2920 67.90274 32.74513 86.74297 28.73601 -18.84023      43.56606 
1 1 1 18  37 9  o 108.3658 25.39663 417.6914       158.5731 211.2138       396.8408 456.9243       172.9835 86.80948 38.64846 112.5119 26.63159 -25.70242      46.93554 
1 1 1 18  37 10 o 197.4948 16.39634 1236.660       188.2012 1149.033       414.6301 1259.398       211.2125 156.2739 43.59703 197.3709 18.46097 -41.09703      47.34457 
1 1 1 18  37 11 o 104.0652 40.58107 501.3456       357.2968 501.3456       357.2968 0.000000       0.000000 104.0652 40.58107 ?        ?        0.000000       40.58107 
1 1 1 18  37 12 o 75.69711 34.87981 32.70981       358.5717 32.70981       358.5717 0.000000       0.000000 75.69711 34.87981 ?        ?        0.000000       34.87981 
1 1 1 18  37 13 o 64.26326 31.07914 -262.7677      357.2999 -262.7677      357.2999 0.000000       0.000000 64.26326 31.07914 ?        ?        0.000000       31.07914 
1 1 1 18  37 14 o 72.45776 33.88600 -29.88535      358.2147 -29.88535      358.2147 0.000000       0.000000 72.45776 33.88600 ?        ?        0.000000       33.88600 
1 1 1 18  37 15 o 70.36498 32.77365 -28.93528      329.6063 -28.93528      329.6063 0.000000       0.000000 70.36498 32.77365 ?        ?        0.000000       32.77365 
1 1 1 18  37 16 o 66.42542 31.43863 -112.0027      325.1105 -112.0027      325.1105 0.000000       0.000000 66.42542 31.43863 ?        ?        0.000000       31.43863 
1 1 1 18  37 17 o 85.79621 37.45328 264.3039       355.8067 264.3039       355.8067 0.000000       0.000000 85.79621 37.45328 ?        ?        0.000000       37.45328 
1 1 1 18  37 18 o 162.0762 39.74210 1191.338       374.8202 1191.338       374.8202 0.000000       0.000000 162.0762 39.74210 ?        ?        0.000000       39.74210 
1 1 1 18  37 19 o 82.97289 37.61560 201.3653       395.3831 201.3653       395.3831 0.000000       0.000000 82.97289 37.61560 ?        ?        0.000000       37.61560 
1 1 1 18  37 20 o 93.29292 39.55484 401.3638       375.3300 401.3638       375.3300 0.000000       0.000000 93.29292 39.55484 ?        ?        0.000000       39.55484 
1 1 1 18  37 21 o 61.96671 30.05484 -247.5793      340.3332 -247.5793      340.3332 0.000000       0.000000 61.96671 30.05484 ?        ?        0.000000       30.05484 
1 1 1 18  38 0  o 128.7160 21.03670 555.3216       153.3233 -109.8348      374.4854 689.2748       168.0543 71.34486 33.75943 144.0882 20.46173 -72.74332      39.47634 
1 1 1 18  38 1  o 58.96033 25.18665 50.61568       154.1790 481.0728       372.3535 -38.45839      169.3816 102.3922 40.95338 53.84540 24.49305 48.54681       47.71885 
1 1 1 18  38 2  o 95.79671 26.89244 336.3562       157.2410 939.6224       370.7773 204.0683       173.6276 142.5759 41.70692 77.04567 28.70388 65.53024       50.62983 
1 1 1 18  38 3  o 86.84172 27.33506 276.5529       155.3359 -137.8353      361.8905 370.1442       171.9852 69.29942 32.90689 99.58612 28.18415 -30.28671      43.32678 
1 1 1 18  38 4  o 76.87267 27.32348 206.7422       154.7446 -24.41823      371.3523 255.3164       170.2283 74.27420 34.65857 83.43668 28.72808 -9.162476      45.01687 
1 1 1 18  38 5  o 152.0667 19.43992 759.8029       169.4126 1140.552       378.5961 664.4761       189.4368 160.7664 40.24967 138.1449 24.26692 22.62152       46.99914 
1 1 1 18  38 6  o 111.5793 26.03668 449.3112       167.2539 -86.15324      351.5845 605.9335       190.1478 70.21458 33.06805 130.3917 25.77907 -60.17712      41.92918 
1 1 1 18  38 7  o 145.0145 21.23791 706.6320       175.2703 840.5493       358.5297 664.5779       200.9144 133.5144 41.45475 136.3563 26.07374 -2.841949      48.97281 
1 1 1 18  38 8  o 91.92767 28.59914 319.1787       170.5470 244.0130       412.5227 334.6745       187.3035 87.61173 39.17803 93.13441 30.09453 -5.522675      49.40242 
1 1 1 18  38 9  o 46.17638 22.13583 -172.7881      172.0786 0.000000       0.000000 -172.7881      172.0786 ?        ?        46.17638 22.13583 0.000000       22.13583 
1 1 1 18  38 10 o 62.29138 26.84086 62.36536       177.9415 -377.6840      374.6685 190.5314       202.2008 62.16545 30.45205 75.94312 30.24398 -13.77767      42.91883 
1 1 1 18  38 11 o 70.52882 33.57278 -116.7936      381.3264 -116.7936      381.3264 0.000000       0.000000 70.52882 33.57278 ?        ?        0.000000       33.57278 
1 1 1 18  38 12 o 98.08744 40.78784 454.3214       387.2274 454.3214       387.2274 0.000000       0.000000 98.08744 40.78784 ?        ?        0.000000       40.78784 
1 1 1 18  38 13 o 76.44245 35.06182 76.43233       356.6009 76.43233       356.6009 0.000000       0.000000 76.44245 35.06182 ?        ?        0.000000       35.06182 
1 1 1 18  38 14 o 95.37316 39.16476 417.7859       350.9988 417.7859       350.9988 0.000000       0.000000 95.37316 39.16476 ?        ?        0.000000       39.16476 
1 1 1 18  38 15 o 85.20651 37.90933 252.8787       381.1520 252.8787       381.1520 0.000000       0.000000 85.20651 37.90933 ?        ?        0.000000       37.90933 
1 1 1 18  38 16 o 87.20361 38.00311 299.9446       365.0000 299.9446       365.0000 0.000000       0.000000 87.20361 38.00311 ?        ?        0.000000       38.00311 
1 1 1 18  38 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  38 18 o 129.6763 44.67178 929.9940       411.6273 929.9940       411.6273 0.000000       0.000000 129.6763 44.67178 ?        ?        0.000000       44.67178 
1 1 1 18  38 19 o 64.66581 31.52279 -273.5152      387.4172 -273.5152      387.4172 0.000000       0.000000 64.66581 31.52279 ?        ?        0.000000       31.52279 
1 1 1 18  39 0  o 67.15800 27.05889 127.7984       163.8154 -515.7832      395.0838 261.4160       180.0193 60.37176 29.89370 83.35764 29.48592 -22.98588      41.98872 
1 1 1 18  39 1  o 91.03104 27.93250 313.0241       163.3491 153.2408       363.7595 353.3835       182.8188 80.65338 36.36779 95.42772 29.59763 -14.77434      46.88961 
1 1 1 18  39 2  o 103.2081 27.06895 396.4207       165.8416 235.9309       356.3904 440.7780       187.3634 84.70610 37.21662 107.1989 29.07354 -22.49280      47.22655 
1 1 1 18  39 3  o 65.94109 26.90146 116.3095       164.2507 305.8540       374.7641 71.24390       182.7363 89.00831 38.65186 63.41151 27.26035 25.59680       47.29792 
1 1 1 18  39 4  o 48.98971 22.83359 -84.91827      160.4320 103.9470       396.6941 -121.8489      175.4176 79.67628 36.70389 49.18054 23.22160 30.49575       43.43292 
1 1 1 18  39 5  o 133.4907 27.56771 658.4156       208.6751 -240.3349      394.8742 1006.665       245.8014 67.29775 32.57697 167.8170 25.79933 -100.5192      41.55555 
1 1 1 18  39 6  o 211.7132 14.77300 1409.740       182.2778 1488.494       424.1495 1391.901       201.8696 181.6995 40.80373 208.4897 16.64777 -26.79015      44.06918 
1 1 1 18  39 7  f 95.25805 29.51458 353.2336       181.8476 242.4200       411.5836 380.1123       202.7057 86.21310 38.79628 97.32998 31.29468 -11.11687      49.84484 
1 1 1 18  39 8  o 67.62267 27.16537 133.2436       164.5818 -4.968467      354.1667 171.3106       185.8700 72.59310 33.86517 72.90242 29.00877 -0.3093185     44.59101 
1 1 1 18  39 9  o 102.2038 26.94302 390.0940       163.7590 143.7898       357.7986 455.3604       184.1822 79.43906 35.92104 109.3017 28.45783 -29.86266      45.82760 
1 1 1 18  39 10 o 87.32543 27.83978 289.4886       160.6742 715.4303       400.1606 207.6182       175.4376 114.8753 43.41170 76.34133 28.76749 38.53400       52.07825 
1 1 1 18  39 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  39 12 o 92.56091 39.50152 392.5158       378.5765 392.5158       378.5765 0.000000       0.000000 92.56091 39.50152 ?        ?        0.000000       39.50152 
1 1 1 18  39 13 o 94.73505 41.26964 441.2922       430.0968 441.2922       430.0968 0.000000       0.000000 94.73505 41.26964 ?        ?        0.000000       41.26964 
1 1 1 18  39 14 o 79.43650 36.87566 118.5692       411.8937 118.5692       411.8937 0.000000       0.000000 79.43650 36.87566 ?        ?        0.000000       36.87566 
1 1 1 18  39 15 o 54.91776 27.54307 -698.6149      383.8883 -698.6149      383.8883 0.000000       0.000000 54.91776 27.54307 ?        ?        0.000000       27.54307 
1 1 1 18  39 16 o 82.99261 37.83702 216.0463       407.1192 216.0463       407.1192 0.000000       0.000000 82.99261 37.83702 ?        ?        0.000000       37.83702 
1 1 1 18  40 0  o 59.92649 27.03772 4.178701       201.4012 -421.6495      390.1097 158.9194       235.1645 61.55950 30.33656 73.91874 31.32376 -12.35924      43.60601 
1 1 1 18  40 1  o 105.9817 27.42159 424.3171       171.7290 622.9503       381.9564 373.9918       192.2567 108.4955 42.05614 96.72646 30.40566 11.76904       51.89627 
1 1 1 18  40 2  o 69.69573 28.05511 148.7830       175.9215 -342.3585      387.5779 276.2270       197.4310 63.39711 31.03798 84.25072 30.74338 -20.85361      43.68651 
1 1 1 18  40 3  o 61.31885 26.66333 55.77162       178.8344 -923.7030      394.0552 309.8339       200.6922 52.18293 26.38768 88.12802 31.13665 -35.94509      40.81422 
1 1 1 18  40 4  o 56.62346 25.19127 12.64726       168.2890 -8.620133      380.9934 17.80255       187.5803 73.43466 34.53439 59.30972 26.47752 14.12495       43.51647 
1 1 1 18  40 5  o 83.00609 29.11552 264.2445       175.2522 292.8150       411.8011 257.9255       193.6653 87.41948 39.11416 82.01111 30.35999 5.408371       49.51411 
1 1 1 18  40 6  o 62.79208 26.48352 87.76684       166.8041 -240.1110      408.6586 153.3140       182.7181 67.43406 32.75933 70.36767 28.49666 -2.933609      43.41927 
1 1 1 18  40 7  o 64.29404 26.99808 99.28956       172.1472 -45.31397      334.9299 151.2050       200.6840 68.79674 32.36147 71.10334 29.44718 -2.306602      43.75387 
1 1 1 18  40 8  o 71.96611 27.70987 177.2720       165.0040 74.21616       360.3515 204.6121       185.6053 75.20662 34.76500 75.68124 29.32221 -0.4746170     45.47964 
1 1 1 18  40 9  o 97.99333 27.74241 369.5387       166.6087 503.1982       401.5254 341.7396       183.1168 98.24767 41.24264 92.55784 29.74261 5.689827       50.84859 
1 1 1 18  40 10 o 63.35558 24.15353 125.6198       124.5359 178.9963       402.2583 119.9615       130.9706 81.32356 37.27763 63.05907 24.57545 18.26449       44.64946 
1 1 1 18  40 11 o 91.02766 39.99350 380.9095       411.5442 380.9095       411.5442 0.000000       0.000000 91.02766 39.99350 ?        ?        0.000000       39.99350 
1 1 1 18  40 12 o 57.79905 28.90361 -643.6511      408.4959 -643.6511      408.4959 0.000000       0.000000 57.79905 28.90361 ?        ?        0.000000       28.90361 
1 1 1 18  40 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 18  40 14 o 68.74210 33.48816 -219.0759      435.2547 -219.0759      435.2547 0.000000       0.000000 68.74210 33.48816 ?        ?        0.000000       33.48816 
1 1 1 18  41 0  o 69.20015 33.31479 -132.6260      399.3862 -132.6260      399.3862 0.000000       0.000000 69.20015 33.31479 ?        ?        0.000000       33.31479 
1 1 1 18  41 1  o 58.43934 25.99885 25.34905       179.2472 -481.9281      421.8251 137.1311       198.0139 61.79078 30.64761 69.21239 29.00237 -7.421616      42.19494 
1 1 1 18  41 2  o 59.98212 27.06299 12.41431       201.7816 99.62280       428.1323 -12.48913      228.7853 78.48412 36.81395 61.17805 28.06918 17.30606       46.29412 
1 1 1 18  41 3  o 93.94011 31.26451 365.5751       201.5218 234.5797       433.0333 401.7876       227.6786 83.90510 38.54094 96.45379 33.22342 -12.54869      50.88418 
1 1 1 18  41 4  o 83.41465 31.49638 278.4232       210.5400 -623.2667      441.5003 543.8317       239.5299 60.41666 30.18776 112.1817 33.70259 -51.76505      45.24561 
1 1 1 18  41 5  f 144.4625 23.68373 740.5554       193.7105 781.5085       475.5967 732.4103       212.1008 110.6011 45.52179 140.4122 26.73266 -29.81111      52.79079 
1 1 1 18  41 6  o 55.37007 24.97334 -4.563506      171.6497 84.59421       444.7126 -20.17148      186.0686 78.60801 37.07302 56.08324 25.57295 22.52477       45.03759 
1 1 1 18  41 7  o 136.0210 24.32673 663.5081       186.9374 458.6777       471.6734 701.6776       203.6113 93.94562 41.95982 138.0968 26.09616 -44.15115      49.41291 
1 1 1 18  41 8  o 99.67101 28.94896 393.2479       179.1993 650.4885       472.3341 349.9957       193.6794 103.2914 44.10296 92.48048 30.64613 10.81089       53.70527 
1 1 1 18  41 9  o 127.8483 21.08927 562.7039       152.6187 610.7491       478.0910 557.2523       161.0448 100.6206 43.67567 125.8261 22.65667 -25.20551      49.20253 
1 1 1 18  41 10 o 62.24911 31.23290 -705.8192      496.1379 -705.8192      496.1379 0.000000       0.000000 62.24911 31.23290 ?        ?        0.000000       31.23290 
1 1 1 18  42 0  o 77.79391 31.01634 229.5620       212.8986 414.3346       394.6593 153.7225       252.8432 91.04674 39.59953 72.94289 31.71107 18.10384       50.73180 
1 1 1 18  42 1  o 63.32905 27.56038 77.60502       191.4039 -91.08748      401.2865 127.2863       217.7725 69.99284 33.61842 69.14003 29.74155 0.8528137      44.88606 
1 1 1 18  42 2  o 58.98595 27.05202 -14.70523      212.2010 -8.192800      420.5140 -16.93014      245.7908 73.58633 35.09183 62.08753 28.70457 11.49879       45.33640 
1 1 1 18  42 3  o 116.1180 32.17857 568.9932       226.7060 64.72463       442.4055 748.5659       264.0036 76.81581 36.44932 131.8283 33.94385 -55.01251      49.80701 
1 1 1 18  42 4  o 54.13511 25.58365 -106.9506      213.7938 554.5598       504.6046 -251.6781      236.0252 95.86413 43.06341 50.73874 24.70485 45.12539       49.64662 
1 1 1 19  0  0  o 352.5451 21.71333 3701.322       444.9993 3701.322       444.9993 3701.322       444.9993 352.5451 21.71333 352.5451 21.71333 0.000000       0.000000 
1 1 1 19  0  1  o 77.84143 45.57723 216.3604       348.4681 216.3604       348.4681 216.3604       348.4681 77.84143 45.57723 77.84143 45.57723 0.000000       0.000000 
1 1 1 19  0  2  o 49.37548 34.19315 -277.0740      340.2659 -277.0740      340.2659 -277.0740      340.2659 49.37548 34.19315 49.37548 34.19315 0.000000       0.000000 
1 1 1 19  0  3  o 340.7990 23.09382 3469.416       456.6349 3469.416       456.6349 3469.416       456.6349 340.7990 23.09382 340.7990 23.09382 0.000000       0.000000 
1 1 1 19  0  4  o 562.4078 22.81632 9367.859       749.7501 9367.859       749.7501 9367.859       749.7501 562.4078 22.81632 562.4078 22.81632 0.000000       0.000000 
1 1 1 19  0  5  o 278.4169 25.61000 2344.725       409.6025 2344.725       409.6025 2344.725       409.6025 278.4169 25.61000 278.4169 25.61000 0.000000       0.000000 
1 1 1 19  0  6  o 99.61414 51.15025 438.3075       380.1503 438.3075       380.1503 438.3075       380.1503 99.61414 51.15025 99.61414 51.15025 0.000000       0.000000 
1 1 1 19  0  7  o 572.6297 23.58684 9722.726       789.0637 9722.726       789.0637 9722.726       789.0637 572.6297 23.58684 572.6297 23.58684 0.000000       0.000000 
1 1 1 19  0  8  o 67.43661 42.75890 55.68909       365.9082 55.68909       365.9082 55.68909       365.9082 67.43661 42.75890 67.43661 42.75890 0.000000       0.000000 
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 f 307.7580 20.74507 2833.854       370.4676 2833.854       370.4676 2833.854       370.4676 307.7580 20.74507 307.7580 20.74507 0.000000       0.000000 
1 1 1 19  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  15 o 144.2392 41.69073 758.7903       305.9097 758.7903       305.9097 758.7903       305.9097 144.2392 41.69073 144.2392 41.69073 0.000000       0.000000 
1 1 1 19  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  17 o 323.1615 17.21123 3106.624       324.0720 3106.624       324.0720 3106.624       324.0720 323.1615 17.21123 323.1615 17.21123 0.000000       0.000000 
1 1 1 19  0  18 o 203.8832 23.36641 1279.320       269.8991 1279.320       269.8991 1279.320       269.8991 203.8832 23.36641 203.8832 23.36641 0.000000       0.000000 
1 1 1 19  0  19 o 137.9009 34.00824 660.0387       238.1079 660.0387       238.1079 660.0387       238.1079 137.9009 34.00824 137.9009 34.00824 0.000000       0.000000 
1 1 1 19  0  20 o 260.1613 16.88224 2021.863       255.0651 2021.863       255.0651 2021.863       255.0651 260.1613 16.88224 260.1613 16.88224 0.000000       0.000000 
1 1 1 19  0  21 o 99.65915 39.84631 412.5175       225.7433 412.5175       225.7433 412.5175       225.7433 99.65915 39.84631 99.65915 39.84631 0.000000       0.000000 
1 1 1 19  0  22 o 48.31561 31.85004 -39.85830      231.3396 -39.85830      231.3396 -39.85830      231.3396 48.31561 31.85004 48.31561 31.85004 0.000000       0.000000 
1 1 1 19  0  23 o 298.0121 18.44145 2652.761       319.4547 2652.761       319.4547 2652.761       319.4547 298.0121 18.44145 298.0121 18.44145 0.000000       0.000000 
1 1 1 19  0  24 o 81.88750 41.55581 300.1626       249.1534 300.1626       249.1534 300.1626       249.1534 81.88750 41.55581 81.88750 41.55581 0.000000       0.000000 
1 1 1 19  0  25 o 40.30994 28.11008 -220.3228      240.7624 -220.3228      240.7624 -220.3228      240.7624 40.30994 28.11008 40.30994 28.11008 0.000000       0.000000 
1 1 1 19  0  26 o 70.99445 39.44336 214.1430       242.3780 214.1430       242.3780 214.1430       242.3780 70.99445 39.44336 70.99445 39.44336 0.000000       0.000000 
1 1 1 19  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  28 o 279.3920 17.65092 2338.757       286.5438 2338.757       286.5438 2338.757       286.5438 279.3920 17.65092 279.3920 17.65092 0.000000       0.000000 
1 1 1 19  0  29 o 47.98839 32.07162 -70.73972      248.2972 -70.73972      248.2972 -70.73972      248.2972 47.98839 32.07162 47.98839 32.07162 0.000000       0.000000 
1 1 1 19  0  30 o 59.80303 36.54771 106.5423       243.4548 106.5423       243.4548 106.5423       243.4548 59.80303 36.54771 59.80303 36.54771 0.000000       0.000000 
1 1 1 19  0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  0  32 o 199.8446 23.90233 1250.374       269.5631 1250.374       269.5631 1250.374       269.5631 199.8446 23.90233 199.8446 23.90233 0.000000       0.000000 
1 1 1 19  0  33 o 97.60142 41.19554 423.2989       237.9442 423.2989       237.9442 423.2989       237.9442 97.60142 41.19554 97.60142 41.19554 0.000000       0.000000 
1 1 1 19  0  34 o 53.15334 33.06560 76.76669       207.8388 76.76669       207.8388 76.76669       207.8388 53.15334 33.06560 53.15334 33.06560 0.000000       0.000000 
1 1 1 19  0  35 o 31.82191 22.80102 -296.0408      198.8831 -296.0408      198.8831 -296.0408      198.8831 31.82191 22.80102 31.82191 22.80102 0.000000       0.000000 
1 1 1 19  0  36 o 78.35167 37.72995 292.6535       200.8016 292.6535       200.8016 292.6535       200.8016 78.35167 37.72995 78.35167 37.72995 0.000000       0.000000 
1 1 1 19  0  37 o 42.06397 27.67324 -10.59933      173.2889 -10.59933      173.2889 -10.59933      173.2889 42.06397 27.67324 42.06397 27.67324 0.000000       0.000000 
1 1 1 19  0  38 o 42.22490 27.53394 4.964924       166.0095 4.964924       166.0095 4.964924       166.0095 42.22490 27.53394 42.22490 27.53394 0.000000       0.000000 
1 1 1 19  0  39 o 69.06610 34.48521 232.1073       170.1350 232.1073       170.1350 232.1073       170.1350 69.06610 34.48521 69.06610 34.48521 0.000000       0.000000 
1 1 1 19  0  40 o 59.09090 34.45847 160.0785       197.8565 160.0785       197.8565 160.0785       197.8565 59.09090 34.45847 59.09090 34.45847 0.000000       0.000000 
1 1 1 19  0  41 o 36.32082 25.49922 -182.2481      207.9297 -182.2481      207.9297 -182.2481      207.9297 36.32082 25.49922 36.32082 25.49922 0.000000       0.000000 
1 1 1 19  0  42 o 40.17147 27.86161 -140.2914      228.1215 -140.2914      228.1215 -140.2914      228.1215 40.17147 27.86161 40.17147 27.86161 0.000000       0.000000 
1 1 1 19  0  43 o 81.54050 43.18509 370.8907       277.1078 370.8907       277.1078 370.8907       277.1078 81.54050 43.18509 81.54050 43.18509 0.000000       0.000000 
1 1 1 19  0  44 o 48.12606 32.40275 -33.56496      262.1384 -33.56496      262.1384 -33.56496      262.1384 48.12606 32.40275 48.12606 32.40275 0.000000       0.000000 
1 1 1 19  1  0  o 745.1347 26.43476 16509.66       1153.379 0.000000       0.000000 16509.66       1153.379 ?        ?        745.1347 26.43476 0.000000       26.43476 
1 1 1 19  1  1  o 497.2851 15.25530 7289.482       444.3886 7432.658       634.8660 7151.943       622.2448 500.8337 21.66539 491.2711 21.64998 9.562561       30.62859 
1 1 1 19  1  2  o 462.6334 15.04413 6309.370       407.6400 6447.701       574.2759 6168.884       578.7299 466.5175 21.04368 456.1519 21.69514 10.36560       30.22442 
1 1 1 19  1  3  o 244.9234 18.80119 1781.141       267.9987 1774.071       355.2280 1790.482       408.3058 243.2260 25.27064 243.4770 29.17436 -0.2509766     38.59726 
1 1 1 19  1  4  o 525.2170 15.62347 8134.976       480.7106 7847.800       657.3793 8465.024       704.7442 514.4677 21.83717 534.1583 22.54701 -19.69061      31.38836 
1 1 1 19  1  5  o 223.2132 21.36301 1487.655       276.2529 1487.478       370.6005 1487.876       414.4236 221.4957 29.24297 220.5500 33.05681 0.9456635      44.13507 
1 1 1 19  1  6  o 417.0576 15.75471 5134.434       384.6585 5236.388       531.0253 5021.878       557.9517 419.9650 21.63305 410.8560 23.25051 9.109009       31.75807 
1 1 1 19  1  7  o 74.37545 32.35269 -37.43221      263.4988 145.7289       380.0915 -206.9088      365.6170 101.3308 41.07693 79.14559 35.99512 22.18517       54.61651 
1 1 1 19  1  8  o 246.5468 26.74160 1832.268       380.4826 1832.268       380.4826 0.000000       0.000000 246.5468 26.74160 ?        ?        0.000000       26.74160 
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 o 844.3798 21.80560 21240.49       1078.929 0.000000       0.000000 21240.49       1078.929 ?        ?        844.3798 21.80560 0.000000       21.80560 
1 1 1 19  1  14 o 266.3062 14.38263 2100.217       223.7977 1821.995       313.9810 2387.542       319.0760 246.3240 21.96449 282.9099 19.34716 -36.58592      29.27032 
1 1 1 19  1  15 o 166.1801 33.84042 870.6071       318.5916 870.6071       318.5916 0.000000       0.000000 166.1801 33.84042 ?        ?        0.000000       33.84042 
1 1 1 19  1  16 o 332.2173 12.33221 3259.689       239.8607 2816.112       326.4051 3780.438       353.6603 307.4355 18.18430 356.7052 16.95396 -49.26971      24.86173 
1 1 1 19  1  17 f 384.4905 11.78180 4363.609       265.3597 4421.040       368.9589 4302.070       381.9275 385.8536 16.34140 380.3718 17.16495 5.481781       23.69972 
1 1 1 19  1  18 o 174.7167 19.93222 921.2729       200.5908 968.0641       269.4021 863.0578       300.4944 177.2407 26.74910 165.4727 32.12276 11.76802       41.80175 
1 1 1 19  1  19 o 260.2894 11.92217 2003.114       181.5129 2141.458       254.2191 1859.238       259.2508 268.2267 16.23657 249.4675 17.83738 18.75926       24.12049 
1 1 1 19  1  20 o 49.94576 22.90413 -103.1877      152.0739 -120.6089      211.2317 -84.44201      219.1150 59.96051 27.30473 63.60089 28.48875 -3.640377      39.46083 
1 1 1 19  1  21 o 162.5761 17.91585 794.8962       167.9934 956.4715       246.9718 655.7604       229.1814 176.7839 24.47659 144.8575 27.98970 31.92641       37.18235 
1 1 1 19  1  22 o 51.07964 23.69437 -140.0438      169.5771 -213.8314      230.3292 -52.70684      250.5859 58.03750 27.15188 70.66351 31.12112 -12.62601      41.30072 
1 1 1 19  1  23 o 286.5909 13.70036 2433.314       229.6070 2227.101       322.8428 2644.376       326.6169 272.4554 20.35140 297.4749 18.81782 -25.01947      27.71804 
1 1 1 19  1  24 o 128.1146 25.28139 511.0193       183.2065 553.4073       262.7769 470.9276       255.5601 131.5973 33.85483 121.7489 34.32176 9.848404       48.20926 
1 1 1 19  1  25 o 190.1303 17.04516 1083.125       188.0507 1223.337       267.0316 945.1739       264.8694 200.4534 23.13844 174.7683 26.68630 25.68515       35.32062 
1 1 1 19  1  26 o 109.8272 28.47029 382.2060       184.8804 104.6837       253.8645 695.6198       269.7814 82.53731 33.52924 147.5231 32.09653 -64.98581      46.41548 
1 1 1 19  1  27 o 383.2396 10.96341 4340.752       246.1614 4427.490       357.8046 4262.804       339.1904 385.4178 15.86327 378.3775 15.31673 7.040314       22.05098 
1 1 1 19  1  28 f 50.74237 23.63698 -146.4608      171.5297 -224.6542      243.8148 -69.83211      241.3630 59.20556 27.77437 67.45033 30.07819 -8.244766      40.94036 
1 1 1 19  1  29 o 100.9000 27.87664 324.5930       170.4283 263.4807       244.4787 382.3670       237.7078 95.99188 34.31947 109.3214 33.72289 -13.32947      48.11506 
1 1 1 19  1  30 o 48.58278 22.87159 -168.8196      167.9029 -282.0633      276.5230 -102.6863      211.3172 61.34518 29.02235 60.36808 27.41985 0.9771042      39.92674 
1 1 1 19  1  31 o 138.9931 21.17813 599.4821       167.1885 686.4269       257.6741 536.2657       219.7168 144.8306 31.25417 128.2435 29.78483 16.58710       43.17360 
1 1 1 19  1  32 o 100.5165 27.00604 328.1461       162.5802 220.0343       232.2525 432.0268       227.6624 89.14708 33.20076 113.8835 32.49262 -24.73638      46.45494 
1 1 1 19  1  33 f 109.3424 25.76954 391.0285       162.5282 367.5891       225.4124 416.4088       234.5594 104.7294 32.92352 110.7120 33.37122 -5.982605      46.87852 
1 1 1 19  1  34 o 64.36239 26.53714 63.74206       161.9997 85.64742       223.7363 39.60156       234.8737 74.06869 30.91793 71.72485 30.87074 2.343842       43.69120 
1 1 1 19  1  35 o 47.36500 21.76904 -80.96094      138.4234 -4.960071      187.6988 -171.5816      204.9585 61.63207 27.04597 53.78273 25.30410 7.849342       37.03757 
1 1 1 19  1  36 o 109.6523 22.31341 392.2998       138.6069 354.1649       201.2070 426.7410       191.2142 100.8599 31.01044 111.1563 29.02335 -10.29643      42.47355 
1 1 1 19  1  37 o 101.1289 22.88099 339.0550       132.5248 451.2375       200.0995 251.3989       176.8782 113.1931 29.75569 86.54189 29.29560 26.65119       41.75684 
1 1 1 19  1  38 o 59.93197 23.66573 82.70307       122.8198 216.4627       179.8186 -34.26628      168.1544 81.47594 29.39570 55.40501 24.87630 26.07093       38.50893 
1 1 1 19  1  39 o 72.39928 24.78713 169.4064       126.6769 137.0516       186.6392 197.0422       172.4923 72.52304 28.99854 78.31500 28.71087 -5.791962      40.80722 
1 1 1 19  1  40 o 151.7123 16.35242 723.3604       143.2013 673.3597       204.6828 771.2997       200.4191 139.6631 25.94382 151.8509 23.24295 -12.18777      34.83270 
1 1 1 19  1  41 o 53.59915 23.86827 -13.04037      151.4417 -7.024512      206.5374 -20.03579      222.7186 61.67498 27.64005 62.76092 28.36371 -1.085938      39.60394 
1 1 1 19  1  42 o 77.17481 27.29015 203.5346       154.1962 116.1620       231.3254 273.3989       206.8536 72.84821 30.97633 86.63849 31.49040 -13.79028      44.17215 
1 1 1 19  1  43 o 157.8192 22.90845 845.3483       205.8446 799.7606       286.4116 894.0539       296.0439 141.0591 34.83135 150.1626 34.36145 -9.103485      48.92783 
1 1 1 19  1  44 o 146.9892 27.22361 776.9511       226.0424 778.2121       317.9912 775.6631       321.3802 133.6313 38.48869 132.9083 38.81562 0.7230682      54.66290 
1 1 1 19  2  0  o 604.8452 16.34279 10788.64       579.1923 10508.23       805.4988 11088.83       833.4178 595.2459 23.11769 611.4434 23.28361 -16.19745      32.81088 
1 1 1 19  2  1  o 796.2985 19.64738 18728.23       917.5528 18992.16       1306.560 18471.41       1288.852 798.5025 27.94296 787.4623 27.95196 11.04016       39.52367 
1 1 1 19  2  2  o 316.9061 16.59905 2968.341       307.4309 3277.819       430.9211 2647.544       438.7300 332.0551 22.25626 297.6255 25.37670 34.42969       33.75378 
1 1 1 19  2  3  o 387.5563 15.28456 4431.128       346.7255 4735.869       480.1623 4099.096       501.2019 399.7279 20.55102 371.2656 23.13347 28.46231       30.94353 
1 1 1 19  2  4  o 664.9758 17.49714 13054.67       681.7827 12710.62       932.4469 13449.91       999.4045 654.0876 24.34986 672.4891 25.38551 -18.40149      35.17584 
1 1 1 19  2  5  o 436.9207 15.56591 5632.837       398.2292 5570.739       540.3821 5706.646       589.1330 433.3257 21.32910 438.1804 23.00562 -4.854706      31.37179 
1 1 1 19  2  6  o 454.7260 15.58821 6101.969       415.1012 6041.037       578.6411 6166.572       595.8192 451.0541 21.93991 455.6167 22.36627 -4.562622      31.33065 
1 1 1 19  2  7  o 174.9081 38.32744 960.2157       382.2762 960.2157       382.2762 0.000000       0.000000 174.9081 38.32744 ?        ?        0.000000       38.32744 
1 1 1 19  2  8  o 212.8097 29.37564 1378.886       356.8625 1378.886       356.8625 0.000000       0.000000 212.8097 29.37564 ?        ?        0.000000       29.37564 
1 1 1 19  2  9  o 87.23733 37.41415 -0.7948184     342.6905 -0.7948184     342.6905 0.000000       0.000000 87.23733 37.41415 ?        ?        0.000000       37.41415 
1 1 1 19  2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  2  12 o 456.7671 17.07454 6180.818       456.5929 6180.818       456.5929 0.000000       0.000000 456.7671 17.07454 ?        ?        0.000000       17.07454 
1 1 1 19  2  13 o 774.7443 20.57107 17854.82       933.8591 17854.82       933.8591 0.000000       0.000000 774.7443 20.57107 ?        ?        0.000000       20.57107 
1 1 1 19  2  14 o 702.9968 13.53606 14582.99       558.0798 14284.69       777.7193 14899.65       801.2967 693.3552 19.14399 708.0501 19.31455 -14.69495      27.19456 
1 1 1 19  2  15 o 283.3948 14.34323 2378.576       237.6155 1997.304       324.8472 2817.325       348.4738 257.9316 21.67487 307.2738 19.43682 -49.34219      29.11340 
1 1 1 19  2  16 o 401.8557 11.83505 4765.134       278.6232 4169.816       370.7762 5537.392       422.2975 374.6569 16.91802 431.9176 16.70269 -57.26074      23.77392 
1 1 1 19  2  17 o 441.7137 16.57044 5793.662       428.5039 5793.662       428.5039 0.000000       0.000000 441.7137 16.57044 ?        ?        0.000000       16.57044 
1 1 1 19  2  18 o 51.78032 24.19941 -169.5488      182.1774 -245.1563      251.0043 -85.38491      264.8265 59.92453 28.13361 70.70895 31.52042 -10.78442      42.24969 
1 1 1 19  2  19 o 276.6873 12.05026 2263.317       195.0714 2311.705       271.0171 2211.299       280.9988 278.6122 16.66229 272.2044 17.69782 6.407745       24.30730 
1 1 1 19  2  20 o 66.02648 26.70525 61.72363       160.2407 49.02810       222.9582 75.28750       230.4569 74.19215 30.90862 77.46223 31.76403 -3.270081      44.32039 
1 1 1 19  2  21 o 389.9289 10.84853 4484.666       247.8474 4454.916       343.4570 4516.992       358.0144 387.5647 15.13958 390.1000 15.68050 -2.535309      21.79644 
1 1 1 19  2  22 o 197.6891 16.83180 1167.927       193.2939 1693.616       269.0144 606.8527       277.9207 237.6493 19.47198 137.7938 34.47807 99.85551       39.59665 
1 1 1 19  2  23 o 300.9627 13.07007 2680.583       230.1465 2595.846       318.7855 2772.827       332.6069 294.7990 18.53212 304.6680 18.70477 -9.868958      26.33074 
1 1 1 19  2  24 o 398.8807 11.18526 4695.428       261.4030 4654.778       369.5795 4736.121       369.7798 395.8520 15.95199 399.3432 15.82000 -3.491241      22.46639 
1 1 1 19  2  25 o 99.95577 29.89645 310.5117       188.7976 577.9559       270.3414 55.89256       263.7797 134.1090 34.25377 80.00475 33.49585 54.10425       47.90921 
1 1 1 19  2  26 o 203.8137 15.79144 1241.181       187.2867 1381.799       276.3861 1121.790       254.6712 213.1861 22.44205 191.6438 23.12566 21.54233       32.22486 
1 1 1 19  2  27 o 225.8522 14.45108 1520.210       190.4104 1527.531       280.3179 1513.938       259.4528 224.2173 21.58362 223.7640 19.98049 0.4532623      29.41212 
1 1 1 19  2  28 o 264.9740 12.06804 2082.399       187.0462 2400.995       286.4632 1845.617       246.9579 282.9074 17.34873 247.9959 17.08401 34.91151       24.34834 
1 1 1 19  2  29 o 61.92440 26.29391 16.50608       166.2697 172.6405       248.4663 -110.1131      223.7525 87.19115 33.88616 62.05587 28.19771 25.13529       44.08382 
1 1 1 19  2  30 o 186.2785 22.18677 1067.968       237.6279 0.000000       0.000000 1067.968       237.6279 ?        ?        186.2785 22.18677 0.000000       22.18677 
1 1 1 19  2  31 o 155.0245 20.00715 739.1827       177.6641 1029.851       270.7065 519.2552       235.4721 180.6436 26.32576 125.4520 31.92891 55.19159       41.38237 
1 1 1 19  2  32 o 63.74091 26.50837 46.60512       163.5830 -144.2646      242.3629 206.3143       221.6984 62.22639 28.67394 86.86028 32.42018 -24.63389      43.28121 
1 1 1 19  2  33 o 94.57741 27.89693 293.4185       165.3012 314.7928       234.8125 272.4192       232.7436 98.56740 33.74720 93.74905 33.48927 4.818344       47.54371 
1 1 1 19  2  34 o 127.2527 21.31038 515.2701       153.4224 454.7937       219.1321 573.4193       214.8747 114.8484 31.56282 130.5468 28.83574 -15.69846      42.75174 
1 1 1 19  2  35 o 62.48651 25.35240 71.68370       144.9318 81.73048       213.2590 63.06096       197.5681 72.00912 30.13095 68.55141 28.86249 3.457710       41.72430 
1 1 1 19  2  36 o 52.73727 22.78123 6.089666       128.8158 124.2629       190.5988 -93.27520      174.7741 73.13200 29.28336 53.04882 24.41037 20.08318       38.12324 
1 1 1 19  2  37 o 194.7735 12.63096 1149.152       143.5055 1012.969       215.7724 1257.169       192.1672 177.8494 21.09730 201.6058 16.39408 -23.75641      26.71819 
1 1 1 19  2  38 o 156.6319 14.60499 755.9147       132.6164 824.8419       189.5108 689.7711       185.6447 159.9866 20.68096 144.9124 22.57921 15.07422       30.61900 
1 1 1 19  2  39 o 71.51106 25.14066 162.4075       130.7183 152.0991       206.0136 169.3546       169.1243 75.53917 30.37647 74.74376 28.22757 0.7954102      41.46716 
1 1 1 19  2  40 o 87.91024 25.16428 268.6855       136.3319 124.0331       190.7226 419.8245       194.9519 71.03403 28.98489 106.8983 29.92081 -35.86427      41.65788 
1 1 1 19  2  41 o 120.0943 20.97855 478.4751       142.3826 547.3220       201.3772 409.6526       201.3417 122.9211 28.49104 104.2843 30.79562 18.63685       41.95366 
1 1 1 19  2  42 o 71.19593 26.93833 157.7987       154.1960 -14.09626      232.6683 292.4263       205.9077 63.95426 28.93822 88.81710 31.52353 -24.86284      42.79198 
1 1 1 19  2  43 f 235.3984 13.94901 1717.185       191.7105 1444.724       266.8804 2007.673       275.5674 207.4847 22.28075 249.0059 19.01361 -41.52115      29.29077 
1 1 1 19  2  44 o 50.14177 24.04527 -195.8444      203.4472 -151.6362      274.4281 -249.7893      303.1463 60.88461 28.83635 60.10058 28.95692 0.7840271      40.86610 
1 1 1 19  3  0  o 561.7145 12.94202 9281.696       426.3519 8808.344       692.6501 9570.445       540.9816 545.2239 21.70487 569.6462 16.20946 -24.42236      27.08963 
1 1 1 19  3  1  o 157.3530 26.93165 755.9168       239.6051 731.0148       309.1521 793.3770       379.1746 153.1485 35.16356 159.0130 40.54144 -5.864471      53.66641 
1 1 1 19  3  2  o 111.5094 33.55827 376.4684       237.3329 607.3431       306.4533 30.48240       375.1503 139.5941 36.88472 93.44409 39.57892 46.15002       54.10151 
1 1 1 19  3  3  o 536.9973 15.76833 8504.745       496.0639 8919.811       699.7573 8085.422       703.3370 548.5388 21.79490 521.8773 23.03647 26.66144       31.71272 
1 1 1 19  3  4  o 399.8555 15.02914 4716.482       351.8147 4726.435       471.2602 4703.952       528.7741 399.3262 20.18801 397.7996 22.75997 1.526581       30.42322 
1 1 1 19  3  5  o 349.0261 15.49049 3597.130       316.2935 3409.438       411.9422 3866.702       493.6861 338.8211 20.83147 360.3111 23.49076 -21.48996      31.39691 
1 1 1 19  3  6  o 113.8446 35.65264 388.5201       264.5829 476.4294       327.9041 224.4870       447.9144 125.8243 39.72988 113.1032 45.02328 12.72112       60.04631 
1 1 1 19  3  7  o 322.8218 22.11142 3104.019       416.1019 3104.019       416.1019 0.000000       0.000000 322.8218 22.11142 ?        ?        0.000000       22.11142 
1 1 1 19  3  8  o 341.5891 21.72231 3473.979       432.9171 3473.979       432.9171 0.000000       0.000000 341.5891 21.72231 ?        ?        0.000000       21.72231 
1 1 1 19  3  9  o 473.5171 21.68074 6667.387       600.4908 6667.387       600.4908 0.000000       0.000000 473.5171 21.68074 ?        ?        0.000000       21.68074 
1 1 1 19  3  10 o 253.2323 26.45004 1935.695       387.0365 1935.695       387.0365 0.000000       0.000000 253.2323 26.45004 ?        ?        0.000000       26.45004 
1 1 1 19  3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3  12 o 907.7496 23.33928 24586.56       1241.492 24586.56       1241.492 0.000000       0.000000 907.7496 23.33928 ?        ?        0.000000       23.33928 
1 1 1 19  3  13 o 1261.430 31.44823 48176.43       2326.538 48176.43       2326.538 0.000000       0.000000 1261.430 31.44823 ?        ?        0.000000       31.44823 
1 1 1 19  3  14 o 539.0660 12.06843 8564.349       381.5429 8811.407       559.3677 8349.395       521.7596 544.9971 17.52337 530.7561 16.78306 14.24103       24.26395 
1 1 1 19  3  15 o 573.6852 17.42324 9767.027       585.5303 0.000000       0.000000 9767.027       585.5303 ?        ?        573.6852 17.42324 0.000000       17.42324 
1 1 1 19  3  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  3  17 o 146.8536 24.98400 665.2468       207.4790 599.2548       303.2238 723.3442       284.5089 136.7796 36.93921 151.0000 33.04664 -14.22037      49.56395 
1 1 1 19  3  18 o 494.6508 11.75914 7217.192       341.1339 6769.584       452.8740 7804.294       518.6631 477.5504 16.19334 512.3592 17.28553 -34.80884      23.68572 
1 1 1 19  3  19 o 111.8286 27.26809 393.1284       177.2019 421.8007       232.5129 353.3997       273.6961 115.6082 32.78811 108.8666 36.43987 6.741676       49.01963 
1 1 1 19  3  20 o 180.4939 17.13718 975.9169       179.2328 992.3807       254.0642 959.6054       252.8869 180.0334 24.71399 176.8753 25.08113 3.158081       35.21142 
1 1 1 19  3  21 o 71.64571 28.46039 88.54066       178.6165 173.5565       240.1824 -16.65497      267.1715 87.72626 33.51913 75.44866 32.70008 12.27760       46.82763 
1 1 1 19  3  22 o 386.8931 11.52360 4418.125       261.1833 4777.607       376.8791 4085.934       362.2906 401.1274 16.05267 370.7133 16.70651 30.41412       23.16885 
1 1 1 19  3  23 o 301.7934 18.01834 2717.546       317.4630 2717.546       317.4630 0.000000       0.000000 301.7934 18.01834 ?        ?        0.000000       18.01834 
1 1 1 19  3  24 o 265.8791 13.50530 2095.313       209.9007 2511.385       308.1408 1735.114       286.7057 289.9326 18.21384 240.1369 20.55512 49.79579       27.46374 
1 1 1 19  3  25 o 296.9496 12.14443 2608.786       211.0538 2596.720       318.4234 2618.240       281.8602 294.5460 18.52708 296.4525 16.27411 -1.906494      24.65967 
1 1 1 19  3  26 o 197.0005 16.48275 1162.178       188.6913 1382.092       278.6745 975.9960       256.4129 213.1104 22.64295 177.8443 25.29635 35.26617       33.95009 
1 1 1 19  3  27 o 313.3373 11.13900 2903.997       204.3702 3017.038       311.5092 2818.574       270.7950 317.6709 16.77977 307.5950 15.05679 10.07590       22.54479 
1 1 1 19  3  28 o 69.44669 27.27115 94.64343       162.2967 -143.8644      237.4274 303.8349       222.3574 62.37474 28.60940 99.55714 32.83052 -37.18240      43.54699 
1 1 1 19  3  29 o 262.5953 12.00440 2046.533       184.3859 2677.421       290.0445 1618.646       238.8656 298.8660 16.61307 231.7904 17.70545 67.07562       24.27915 
1 1 1 19  3  30 o 59.16695 25.61003 -7.298687      163.4441 198.9223       255.0530 -150.9936      212.9044 89.95207 34.49831 57.72512 26.69745 32.22695       43.62210 
1 1 1 19  3  31 o 129.8056 30.09636 550.8444       224.6506 0.000000       0.000000 550.8444       224.6506 ?        ?        129.8056 30.09636 0.000000       30.09636 
1 1 1 19  3  32 o 134.2453 21.64231 564.9496       164.6009 537.1649       245.1282 587.7650       222.1291 126.4086 32.78960 133.8412 29.12782 -7.432594      43.85872 
1 1 1 19  3  33 o 95.89115 26.08290 301.3834       150.5397 408.4704       214.2916 197.0428       211.5259 109.8893 31.57876 84.18050 31.61664 25.70879       44.68591 
1 1 1 19  3  34 o 71.45110 26.55194 139.6284       148.3891 50.96128       224.6699 208.2362       197.6288 71.28551 30.42650 83.68750 30.72325 -12.40199      43.23991 
1 1 1 19  3  35 o 62.73961 24.94107 83.08244       137.2713 -148.8140      204.4900 273.2958       185.2019 54.87276 25.64266 90.62469 29.96555 -35.75192      39.43958 
1 1 1 19  3  36 o 73.88967 25.92123 167.6970       138.9104 -49.31369      213.8857 326.0074       182.6820 61.91187 27.90463 97.29760 29.47706 -35.38573      40.59021 
1 1 1 19  3  37 o 73.48161 25.18685 170.8761       130.8048 423.3734       196.5903 -29.71018      175.2203 109.4689 29.81914 57.16720 25.55087 52.30173       39.26867 
1 1 1 19  3  38 o 178.8064 13.84092 978.9838       144.0145 738.2138       215.8470 1172.162       193.3410 147.6084 25.87644 193.5832 17.20882 -45.97482      31.07626 
1 1 1 19  3  39 f 61.75195 24.49888 90.07717       132.1916 -32.95002      193.4610 197.8255       181.0498 58.94787 26.55643 78.75406 29.31669 -19.80619      39.55644 
1 1 1 19  3  40 o 150.3486 16.65623 712.6572       144.4072 986.1583       234.5275 545.6443       183.2691 171.1964 24.01847 125.4495 25.77252 45.74692       35.22938 
1 1 1 19  3  41 o 67.20633 25.90862 129.7108       144.3740 70.02169       232.6122 167.1125       184.1326 69.79459 30.37830 74.37402 29.09469 -4.579437      42.06355 
1 1 1 19  3  42 o 69.74232 26.82507 145.9955       154.5192 57.01756       220.4144 231.9838       216.6798 67.37439 29.44352 82.31001 31.73779 -14.93562      43.29213 
1 1 1 19  3  43 f 156.0371 18.85792 791.8481       169.0764 821.0708       247.9728 766.4594       231.1344 149.2339 29.37886 145.3082 28.13895 3.925720       40.68068 
1 1 1 19  3  44 o 159.1106 20.93507 843.3420       190.6198 1269.193       278.6071 468.5502       261.3717 190.2785 25.61629 105.5060 35.61221 84.77254       43.86826 
1 1 1 19  4  0  o 429.8346 14.90585 5447.671       375.1898 5077.882       495.6325 5943.973       574.1903 413.9526 20.47902 447.6100 21.93970 -33.65747      30.01234 
1 1 1 19  4  1  o 329.6606 20.33463 3224.513       391.2325 3224.513       391.2325 0.000000       0.000000 329.6606 20.33463 ?        ?        0.000000       20.33463 
1 1 1 19  4  2  o 495.5878 20.68093 7275.723       599.7712 7275.723       599.7712 0.000000       0.000000 495.5878 20.68093 ?        ?        0.000000       20.68093 
1 1 1 19  4  3  o 577.5760 22.23933 9894.761       751.9157 9894.761       751.9157 0.000000       0.000000 577.5760 22.23933 ?        ?        0.000000       22.23933 
1 1 1 19  4  4  o 290.9232 21.72376 2519.781       367.9740 2519.781       367.9740 0.000000       0.000000 290.9232 21.72376 ?        ?        0.000000       21.72376 
1 1 1 19  4  5  o 635.6357 17.11044 11930.89       637.2719 10776.72       817.8195 13715.06       1016.813 602.3156 23.19505 678.6644 25.59259 -76.34888      34.53970 
1 1 1 19  4  6  o 406.4019 21.06324 4904.020       500.3189 4904.020       500.3189 0.000000       0.000000 406.4019 21.06324 ?        ?        0.000000       21.06324 
1 1 1 19  4  7  o 72.75881 33.65387 -264.0008      338.4378 -264.0008      338.4378 0.000000       0.000000 72.75881 33.65387 ?        ?        0.000000       33.65387 
1 1 1 19  4  8  o 296.1686 23.60765 2623.489       406.6638 2623.489       406.6638 0.000000       0.000000 296.1686 23.60765 ?        ?        0.000000       23.60765 
1 1 1 19  4  9  o 467.7487 21.37714 6505.707       584.8751 6505.707       584.8751 0.000000       0.000000 467.7487 21.37714 ?        ?        0.000000       21.37714 
1 1 1 19  4  10 o 192.4121 33.67253 1149.390       366.1443 1149.390       366.1443 0.000000       0.000000 192.4121 33.67253 ?        ?        0.000000       33.67253 
1 1 1 19  4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  4  12 o 588.3417 17.64541 10259.16       608.1641 10259.16       608.1641 0.000000       0.000000 588.3417 17.64541 ?        ?        0.000000       17.64541 
1 1 1 19  4  13 o 530.4896 17.49369 8345.424       543.5187 8345.424       543.5187 0.000000       0.000000 530.4896 17.49369 ?        ?        0.000000       17.49369 
1 1 1 19  4  14 o 684.3831 13.32754 13820.84       534.9334 13228.23       726.9117 14520.85       790.0458 667.3370 18.59128 698.8631 19.29414 -31.52606      26.79365 
1 1 1 19  4  15 o 537.2700 17.13667 8565.586       539.2792 0.000000       0.000000 8565.586       539.2792 ?        ?        537.2700 17.13667 0.000000       17.13667 
1 1 1 19  4  16 o 584.7426 17.42683 10156.38       596.9649 0.000000       0.000000 10156.38       596.9649 ?        ?        584.7426 17.42683 0.000000       17.42683 
1 1 1 19  4  17 o 96.05136 32.06780 270.0709       211.9793 -148.2698      304.7358 662.2836       295.0660 72.89211 33.03667 143.8753 35.25062 -70.98316      48.31178 
1 1 1 19  4  18 o 233.8323 15.55218 1626.935       212.0660 1841.186       303.9016 1423.590       296.0651 247.3580 21.15145 216.5403 23.69962 30.81772       31.76564 
1 1 1 19  4  19 o 408.4435 11.33513 4923.181       271.2619 5401.372       388.0024 4465.990       379.3872 426.6638 15.53186 387.5423 16.73160 39.12155       22.82948 
1 1 1 19  4  20 o 217.8183 21.70865 1432.989       273.6291 1432.989       273.6291 0.000000       0.000000 217.8183 21.70865 ?        ?        0.000000       21.70865 
1 1 1 19  4  21 o 56.51461 25.85942 -122.5898      192.4257 -85.73193      258.5983 -168.3175      288.0379 69.73473 31.11280 69.40575 31.71264 0.3289719      44.42632 
1 1 1 19  4  22 o 290.9807 13.73205 2508.270       233.6809 2563.428       317.2367 2442.838       345.5215 292.9554 18.55965 285.2887 20.79372 7.666687       27.87184 
1 1 1 19  4  23 o 131.6218 28.40793 544.5691       212.8516 516.1347       287.7228 578.9418       316.3438 127.2839 36.59583 134.3360 38.29319 -7.052147      52.96813 
1 1 1 19  4  24 o 175.0313 20.41351 927.1064       205.6190 905.1039       302.4289 946.0200       280.3976 169.4537 31.59334 174.4300 28.38465 -4.976318      42.47150 
1 1 1 19  4  25 o 175.2192 18.23178 924.5300       184.6168 1290.052       281.3255 648.0535       244.6705 205.6242 23.76525 143.0247 30.12206 62.59944       38.36829 
1 1 1 19  4  26 o 278.0268 12.19949 2289.259       198.4360 2524.539       312.4032 2130.125       256.9235 290.1954 18.45140 267.0760 16.48313 23.11942       24.74162 
1 1 1 19  4  27 o 158.5480 18.87558 762.9454       172.0719 857.6774       256.1091 684.9951       232.3195 165.4032 27.35713 147.2488 27.92342 18.15439       39.09130 
1 1 1 19  4  28 o 381.1950 10.35294 4294.233       231.2379 4456.309       338.5907 4152.563       316.5595 386.7138 14.95734 373.4702 14.48013 13.24362       20.81817 
1 1 1 19  4  29 o 79.06923 27.37979 178.6635       154.7085 165.6861       232.2117 189.0214       207.4567 84.88000 32.82172 84.95746 31.42757 -0.7746124E-01 45.44180 
1 1 1 19  4  30 o 289.3933 11.26254 2483.405       190.7855 2367.453       292.7170 2569.041       251.5589 280.1764 17.90793 293.2225 14.67487 -13.04614      23.15266 
1 1 1 19  4  31 o 70.90837 27.46958 111.6378       162.8772 -100.1042      249.4542 268.9920       215.0436 66.07296 29.92377 93.96770 32.29140 -27.89474      44.02461 
1 1 1 19  4  32 o 112.0169 23.97651 402.4625       152.7589 561.0652       226.9508 271.0866       206.5544 130.0715 30.31398 93.12883 31.65654 36.94269       43.83005 
1 1 1 19  4  33 o 52.74874 23.49526 -37.86372      146.8366 -54.27960      217.8075 -24.18696      198.8073 63.30048 28.37514 62.55880 27.62878 0.7416840      39.60426 
1 1 1 19  4  34 o 50.01895 22.42385 -42.58685      136.0627 193.4737       209.9915 -213.4088      178.6330 82.82160 31.41379 47.36968 22.66650 35.45192       38.73753 
1 1 1 19  4  35 o 70.18573 25.62481 140.7922       137.1891 4.493565       202.9930 255.3877       186.1311 64.42939 28.20388 88.24128 30.04987 -23.81189      41.21230 
1 1 1 19  4  36 o 52.85554 22.97616 0.5028503      132.7086 -7.137873      195.6368 7.015474       180.6182 62.22455 27.44751 61.17117 26.69450 1.053383       38.28788 
1 1 1 19  4  37 o 181.3242 13.48279 1001.682       142.3531 1038.294       220.8473 975.6575       186.1946 179.7392 21.36849 176.2310 18.28020 3.508102       28.12078 
1 1 1 19  4  38 o 58.41689 23.91749 62.20952       130.4089 -1.752713      189.9876 119.1942       179.3258 60.98700 26.96838 70.35288 28.32329 -9.365879      39.10885 
1 1 1 19  4  39 o 62.64095 24.54208 98.36357       131.1829 0.3660987      203.2954 168.2818       171.7178 62.53954 27.76323 74.69701 28.38964 -12.15748      39.70854 
1 1 1 19  4  40 o 55.74273 23.84433 31.00200       138.5204 115.3086       221.9916 -22.75477      177.2647 72.83781 30.62658 56.97010 25.56316 15.86771       39.89314 
1 1 1 19  4  41 o 136.8356 18.36537 603.4113       143.6657 533.1700       225.3749 651.4900       186.4603 118.2218 31.81125 138.2512 23.85871 -20.02941      39.76422 
1 1 1 19  4  42 o 57.45581 24.62250 38.98074       148.2089 -178.6199      220.7005 217.7123       200.0202 53.67720 25.54833 80.17589 30.59972 -26.49869      39.86301 
1 1 1 19  4  43 o 140.4758 19.85976 650.0055       159.0581 653.7009       229.3091 646.5787       220.8155 131.7254 30.31245 132.0083 29.28800 -0.2829437     42.15011 
1 1 1 19  4  44 o 129.5441 25.32303 593.3035       185.4920 376.3576       284.4860 753.7445       244.6486 95.30856 36.46409 141.2149 30.43787 -45.90634      47.49836 
1 1 1 19  5  0  o 201.8014 21.70365 1218.988       252.8335 1057.456       315.1229 1510.865       423.5943 186.0194 29.89777 222.1656 33.55536 -36.14616      44.94261 
1 1 1 19  5  1  o 620.0792 13.64435 11317.67       496.1929 11207.22       830.5107 11378.97       618.7698 614.4713 23.08693 620.8793 17.00908 -6.408020      28.67604 
1 1 1 19  5  2  o 376.9733 15.03820 4193.167       331.8063 4202.161       430.1299 4179.948       521.4300 376.5775 19.54264 374.6263 23.85665 1.951141       30.83917 
1 1 1 19  5  3  o 232.5537 20.75209 1612.563       280.0613 1323.058       352.0858 2111.294       462.1178 208.5390 29.62012 264.1405 30.38372 -55.60149      42.43256 
1 1 1 19  5  4  o 112.4976 34.58480 381.7887       250.2721 201.7959       325.3005 642.8568       391.7727 100.1038 38.80953 144.0812 43.05983 -43.97745      57.96834 
1 1 1 19  5  5  o 320.5315 21.98337 3058.980       410.7503 3058.980       410.7503 0.000000       0.000000 320.5315 21.98337 ?        ?        0.000000       21.98337 
1 1 1 19  5  6  o 734.3723 26.10836 16084.18       1122.677 16084.18       1122.677 0.000000       0.000000 734.3723 26.10836 ?        ?        0.000000       26.10836 
1 1 1 19  5  7  o 120.5199 37.66422 439.4817       295.4411 439.4817       295.4411 0.000000       0.000000 120.5199 37.66422 ?        ?        0.000000       37.66422 
1 1 1 19  5  8  o 366.6498 20.87042 3998.576       446.9263 3998.576       446.9263 0.000000       0.000000 366.6498 20.87042 ?        ?        0.000000       20.87042 
1 1 1 19  5  9  o 267.3559 25.16554 2149.819       389.9497 2149.819       389.9497 0.000000       0.000000 267.3559 25.16554 ?        ?        0.000000       25.16554 
1 1 1 19  5  10 o 138.0369 41.41790 595.5369       361.9201 595.5369       361.9201 0.000000       0.000000 138.0369 41.41790 ?        ?        0.000000       41.41790 
1 1 1 19  5  11 o 650.1818 18.92387 12542.54       720.8300 12542.54       720.8300 0.000000       0.000000 650.1818 18.92387 ?        ?        0.000000       18.92387 
1 1 1 19  5  12 o 547.6230 13.71296 8853.032       440.0699 8853.032       440.0699 0.000000       0.000000 547.6230 13.71296 ?        ?        0.000000       13.71296 
1 1 1 19  5  13 o 794.2554 21.16521 18794.42       985.0223 18794.42       985.0223 0.000000       0.000000 794.2554 21.16521 ?        ?        0.000000       21.16521 
1 1 1 19  5  14 f 328.7739 13.28509 3194.944       255.6331 3321.497       383.5556 3093.802       342.8919 333.6759 19.68735 322.3981 18.20888 11.27786       26.81707 
1 1 1 19  5  15 o 525.2222 12.14926 8134.773       374.2341 7676.510       514.0831 8651.396       545.8369 508.4828 17.26382 539.8398 17.26260 -31.35703      24.41386 
1 1 1 19  5  16 o 354.9805 17.80420 3751.719       369.4782 0.000000       0.000000 3751.719       369.4782 ?        ?        354.9805 17.80420 0.000000       17.80420 
1 1 1 19  5  17 o 392.5710 16.99411 4582.406       390.3347 0.000000       0.000000 4582.406       390.3347 ?        ?        392.5710 16.99411 0.000000       16.99411 
1 1 1 19  5  18 o 402.1147 11.71308 4773.824       275.9361 4964.450       386.8062 4576.291       393.7516 408.8316 16.16424 392.1791 17.16090 16.65250       23.57497 
1 1 1 19  5  19 o 91.50494 30.35430 245.6486       189.9952 145.5560       261.1608 358.1844       276.9187 87.31773 34.50026 109.5208 36.65369 -22.20303      50.33648 
1 1 1 19  5  20 o 362.2239 16.03868 3897.978       339.8740 3897.978       339.8740 0.000000       0.000000 362.2239 16.03868 ?        ?        0.000000       16.03868 
1 1 1 19  5  21 o 368.3558 11.92481 4007.304       257.2744 3846.077       340.0756 4223.062       393.4046 359.7911 16.15787 376.5071 17.86720 -16.71597      24.08970 
1 1 1 19  5  22 o 158.1652 25.87723 772.3192       231.7445 457.1756       325.4939 1096.299       330.0255 121.8525 39.69518 187.3202 31.13326 -65.46767      50.44786 
1 1 1 19  5  23 o 188.9297 19.83876 1075.811       216.5437 1203.063       309.0240 953.0463       303.5280 197.6337 27.39715 174.4049 30.80086 23.22884       41.22253 
1 1 1 19  5  24 o 149.0912 22.99819 682.1511       194.6329 518.2969       283.3631 828.5019       267.8008 127.2718 36.22983 162.7133 29.13312 -35.44154      46.49021 
1 1 1 19  5  25 o 54.30100 24.87737 -115.5020      178.8245 -89.06834      270.8131 -135.9388      238.1214 71.04778 31.75916 63.33098 28.89769 7.716793       42.93857 
1 1 1 19  5  26 o 57.51657 25.66345 -60.60299      175.9789 76.98980       270.7996 -161.1852      231.5318 82.17972 34.13568 60.71769 27.99570 21.46203       44.14753 
1 1 1 19  5  27 o 213.0402 14.29519 1353.567       177.5747 1537.151       282.7739 1234.031       228.1765 224.7341 21.72513 201.8983 19.51317 22.83589       29.20180 
1 1 1 19  5  28 o 205.0087 14.35743 1255.276       171.5321 1336.003       254.6074 1188.182       232.1157 209.4207 21.01373 197.6309 20.31520 11.78978       29.22814 
1 1 1 19  5  29 o 99.81894 26.25118 317.5330       155.6981 428.6181       229.0095 222.0513       212.3174 114.8650 32.52757 89.03663 31.96481 25.82837       45.60474 
1 1 1 19  5  30 o 129.0516 22.06429 519.5154       160.9991 389.7254       254.5228 606.0864       207.8703 109.9319 35.03851 137.9524 26.65766 -28.02053      44.02644 
1 1 1 19  5  31 o 136.7338 20.37341 579.3666       158.3961 647.7594       228.9798 516.6095       219.3427 141.4406 28.58846 125.4398 30.18306 16.00080       41.57303 
1 1 1 19  5  32 o 39.63945 19.30236 -243.0438      144.1761 -414.8141      214.8498 -102.3253      194.4628 46.04916 22.65810 56.89590 26.01956 -10.84673      34.50227 
1 1 1 19  5  33 o 48.86450 22.49539 -93.13562      148.6690 -240.4030      237.2499 2.080741       190.7693 56.05702 26.62605 63.27174 27.52530 -7.214714      38.29606 
1 1 1 19  5  34 o 43.34893 20.43777 -131.1656      134.9624 -105.2536      214.2802 -148.2040      173.7583 59.07259 27.12594 49.88462 23.41611 9.187969       35.83477 
1 1 1 19  5  35 o 234.7844 10.87296 1649.855       149.3093 1306.133       208.4328 2012.141       213.9872 205.5397 17.45595 257.5222 14.22370 -51.98256      22.51719 
1 1 1 19  5  36 o 68.71432 25.00767 136.7625       130.5108 106.9999       188.6373 164.0899       180.7553 71.04473 28.88703 76.33662 29.09986 -5.291885      41.00320 
1 1 1 19  5  37 o 227.5920 11.23939 1558.858       149.5563 1638.335       218.9092 1489.292       204.8038 230.1228 16.32612 219.5771 16.01387 10.54567       22.86889 
1 1 1 19  5  38 o 124.9825 19.45665 502.3614       137.9759 314.0590       213.3972 637.6309       180.8676 93.77011 32.16947 138.8277 23.02037 -45.05760      39.55771 
1 1 1 19  5  39 o 81.34543 25.37355 225.9612       134.1505 292.0779       199.1319 171.0205       181.5233 90.46018 31.07422 75.59531 29.07515 14.86487       42.55551 
1 1 1 19  5  40 o 116.2568 21.10750 447.7986       138.6160 309.3615       204.8056 564.8191       188.2983 91.76125 31.51405 127.2884 26.10051 -35.52718      40.91909 
1 1 1 19  5  41 o 180.7673 15.52919 1022.879       163.0399 1099.243       256.6553 971.2133       211.1074 178.8550 25.16277 171.3666 21.47550 7.488419       33.08114 
1 1 1 19  5  42 o 62.54496 25.63279 87.63615       149.9697 96.79008       242.5436 81.97021       190.8191 72.05614 31.19327 66.26849 28.15450 5.787643       42.02018 
1 1 1 19  5  43 o 134.7880 21.93746 613.1672       167.4574 495.9604       261.0844 695.0830       218.2669 108.9388 35.55564 138.3932 27.85718 -29.45440      45.16886 
1 1 1 19  5  44 o 149.7163 22.50395 762.4895       191.4886 940.8276       316.6169 659.6357       240.4486 150.7601 36.25567 130.1852 31.77576 20.57489       48.20967 
1 1 1 19  6  0  o 71.10115 29.76189 29.42108       208.1817 176.0033       261.8201 -222.5729      343.2871 91.37703 34.97601 75.45016 34.52969 15.92687       49.14896 
1 1 1 19  6  1  o 203.4542 17.38504 1230.319       205.4544 916.3245       307.2359 1484.317       276.3283 172.4202 31.54530 222.9104 21.39961 -50.49023      38.11889 
1 1 1 19  6  2  o 340.9406 15.46035 3433.048       308.3309 3504.504       402.6945 3331.800       479.3446 343.6485 20.06803 334.0324 24.64206 9.616058       31.77982 
1 1 1 19  6  3  o 444.2639 15.26536 5823.962       397.1484 6058.728       542.3553 5552.534       583.1683 452.0169 20.51218 432.0318 23.09986 19.98514       30.89261 
1 1 1 19  6  4  o 362.2146 15.89520 3876.462       336.8401 4402.692       454.0994 3232.690       502.2609 385.2056 20.17083 328.4784 26.29119 56.72726       33.13742 
1 1 1 19  6  5  o 151.1085 35.61333 715.8217       310.4102 715.8217       310.4102 0.000000       0.000000 151.1085 35.61333 ?        ?        0.000000       35.61333 
1 1 1 19  6  6  o 106.9422 38.07788 304.5356       300.6530 304.5356       300.6530 0.000000       0.000000 106.9422 38.07788 ?        ?        0.000000       38.07788 
1 1 1 19  6  7  o 171.6490 31.03535 910.3758       300.9300 910.3758       300.9300 0.000000       0.000000 171.6490 31.03535 ?        ?        0.000000       31.03535 
1 1 1 19  6  8  o 206.1532 24.67184 1283.581       292.3757 1283.581       292.3757 0.000000       0.000000 206.1532 24.67184 ?        ?        0.000000       24.67184 
1 1 1 19  6  9  o 176.8331 33.86972 975.5113       338.4723 975.5113       338.4723 0.000000       0.000000 176.8331 33.86972 ?        ?        0.000000       33.86972 
1 1 1 19  6  10 o 269.3468 24.31915 2181.570       380.0248 2181.570       380.0248 0.000000       0.000000 269.3468 24.31915 ?        ?        0.000000       24.31915 
1 1 1 19  6  11 o 345.5257 14.50712 3530.313       293.3220 3530.313       293.3220 0.000000       0.000000 345.5257 14.50712 ?        ?        0.000000       14.50712 
1 1 1 19  6  12 o 977.1517 20.07484 28375.46       1150.442 28375.46       1150.442 0.000000       0.000000 977.1517 20.07484 ?        ?        0.000000       20.07484 
1 1 1 19  6  13 o 700.7851 26.04469 14762.46       1068.558 14762.46       1068.558 0.000000       0.000000 700.7851 26.04469 ?        ?        0.000000       26.04469 
1 1 1 19  6  14 o 940.5681 24.28018 26523.03       1338.226 26523.03       1338.226 0.000000       0.000000 940.5681 24.28018 ?        ?        0.000000       24.28018 
1 1 1 19  6  15 f 416.6010 16.70444 5153.044       407.3065 0.000000       0.000000 5153.044       407.3065 ?        ?        416.6010 16.70444 0.000000       16.70444 
1 1 1 19  6  16 o 250.7654 16.32741 1871.914       238.8183 2417.797       378.6099 1511.198       307.7696 283.1935 22.99363 223.2154 23.88055 59.97807       33.15098 
1 1 1 19  6  17 f 148.4225 25.84129 681.8563       216.7710 1045.525       314.4442 352.5025       299.2416 183.1205 30.34047 110.1879 38.08263 72.93260       48.69117 
1 1 1 19  6  18 o 174.1571 19.85234 915.7893       199.1534 990.0568       260.6427 811.6033       308.7102 179.5902 25.45921 159.6404 34.01451 19.94984       42.48716 
1 1 1 19  6  19 o 58.60569 26.30234 -78.30505      187.7683 -473.6622      255.4424 386.4256       276.9483 51.61004 25.25260 112.5620 36.61182 -60.95197      44.47605 
1 1 1 19  6  20 o 278.9910 13.94947 2307.390       227.5195 2576.896       335.1283 2076.970       309.8757 293.3773 19.58979 263.0631 20.24076 30.31412       28.16821 
1 1 1 19  6  21 f 41.45678 20.68829 -531.7991      204.5184 -333.1111      281.7821 -752.9846      297.3075 60.87147 28.94280 50.21572 25.04110 10.65575       38.27195 
1 1 1 19  6  22 o 493.3752 11.91136 7181.562       344.6586 7387.276       499.1275 6994.075       476.5010 498.5089 17.09745 485.1695 16.77156 13.33942       23.95012 
1 1 1 19  6  23 o 76.22684 33.50891 -50.55222      289.2672 -50.55222      289.2672 0.000000       0.000000 76.22684 33.50891 ?        ?        0.000000       33.50891 
1 1 1 19  6  24 o 182.0759 18.70480 998.1401       196.8985 790.2542       286.2594 1184.810       271.2589 157.8199 32.02359 197.0048 23.97055 -39.18497      40.00122 
1 1 1 19  6  25 o 216.4954 15.30788 1397.757       193.1100 1242.486       281.0874 1536.550       265.7547 201.4751 24.27736 225.6629 20.29695 -24.18776      31.64421 
1 1 1 19  6  26 o 60.74736 26.44584 -19.85468      176.3625 -207.1769      265.7295 127.6181       235.7769 63.65715 29.57396 82.23831 32.68881 -18.58116      44.08148 
1 1 1 19  6  27 o 180.6738 16.49949 981.3154       172.9026 1126.703       274.7485 885.9817       222.4823 190.7966 25.16662 169.6434 22.94994 21.15318       34.05963 
1 1 1 19  6  28 o 81.65068 27.89224 193.5735       160.3833 358.9604       246.2419 71.71896       211.3645 106.8100 34.50544 73.72738 30.34626 33.08266       45.95129 
1 1 1 19  6  29 o 58.57243 25.33456 -7.222840      159.7180 219.5863       234.1517 -204.5768      218.4187 90.41386 33.39877 55.84943 26.22786 34.56443       42.46620 
1 1 1 19  6  30 o 143.5018 20.41613 635.2275       166.9812 852.0607       271.6574 503.5516       211.6956 162.7794 29.54359 124.4665 29.46119 38.31290       41.72272 
1 1 1 19  6  31 o 65.24345 26.57648 65.16148       160.0128 347.1713       230.9668 -195.1200      221.8907 103.6612 33.41195 56.50553 26.50406 47.15563       42.64767 
1 1 1 19  6  32 o 41.61448 20.06273 -209.3145      146.0660 -169.2808      221.0829 -240.3259      194.5824 57.32069 26.74574 49.36407 23.63049 7.956612       35.68942 
1 1 1 19  6  33 o 39.69772 19.15528 -192.9603      133.8498 176.2848       204.8295 -468.1467      176.8270 81.02498 30.95523 37.68754 18.87150 43.33744       36.25410 
1 1 1 19  6  34 o 75.11688 25.50911 174.7134       134.1178 86.08236       209.3362 236.4249       174.6765 72.15441 29.99559 85.73533 29.11185 -13.58092      41.79995 
1 1 1 19  6  35 o 57.90422 25.58442 -16.93188      170.6554 0.000000       0.000000 -16.93188      170.6554 ?        ?        57.90422 25.58442 0.000000       25.58442 
1 1 1 19  6  36 o 77.04731 25.24822 192.1521       131.5903 -69.01350      192.9801 419.1168       179.9010 57.38887 26.11998 110.3647 27.80979 -52.97583      38.15282 
1 1 1 19  6  37 o 63.51464 25.07713 95.43063       137.8900 113.7495       198.0668 78.20200       192.0826 71.91433 29.46352 68.03694 28.54086 3.877388       41.02048 
1 1 1 19  6  38 o 51.46373 22.32259 6.617790       124.7058 86.76632       183.3912 -62.31903      170.0812 67.49324 28.06805 53.59977 24.44403 13.89347       37.21997 
1 1 1 19  6  39 o 130.6403 18.73397 547.6975       139.4328 338.9743       210.0355 712.1619       186.4418 96.00958 31.91711 146.7500 22.36907 -50.74043      38.97534 
1 1 1 19  6  40 o 130.6778 20.17509 558.5282       149.6478 331.9121       218.6799 758.1215       205.2280 94.17723 32.55491 149.4248 24.24925 -55.24759      40.59370 
1 1 1 19  6  41 o 65.86086 25.65874 120.7722       142.7333 -40.45562      219.4978 238.8978       187.8808 60.95381 27.78671 82.52924 30.00936 -21.57544      40.89820 
1 1 1 19  6  42 f 80.39655 26.79717 228.5983       148.0349 345.9579       219.5884 130.8268       200.4271 94.45375 32.62378 71.36027 29.47911 23.09348       43.96964 
1 1 1 19  6  43 o 70.37579 26.68221 156.5579       151.4599 -23.19214      247.0734 264.7712       191.7042 64.36638 29.39524 84.75710 30.38014 -20.39072      42.27332 
1 1 1 19  6  44 o 142.8718 22.09506 692.7935       179.1680 567.4377       281.6946 777.9578       232.1855 114.1356 36.90877 145.6519 28.20036 -31.51630      46.44909 
1 1 1 19  7  0  o 324.1623 12.41422 3096.366       235.5750 2725.584       347.6028 3411.323       320.3679 302.9585 19.66998 339.7246 16.12549 -36.76611      25.43500 
1 1 1 19  7  1  o 237.7091 14.92044 1671.626       206.9577 1736.525       301.6701 1613.923       284.4531 241.1735 21.55509 232.5274 21.08770 8.646072       30.15482 
1 1 1 19  7  2  o 167.2472 20.59476 840.1956       197.7456 866.7218       292.2926 817.8077       268.5258 167.6325 30.86803 163.1178 29.13885 4.514709       42.44889 
1 1 1 19  7  3  o 96.10515 33.55194 250.1575       232.5595 187.9607       288.0562 366.5840       394.1115 95.09299 36.61285 119.2189 43.44661 -24.12590      56.81644 
1 1 1 19  7  4  o 377.3688 18.86441 4221.441       416.1794 4221.441       416.1794 0.000000       0.000000 377.3688 18.86441 ?        ?        0.000000       18.86441 
1 1 1 19  7  5  o 423.1616 19.89247 5313.267       492.2980 5313.267       492.2980 0.000000       0.000000 423.1616 19.89247 ?        ?        0.000000       19.89247 
1 1 1 19  7  6  o 716.1390 25.50667 15307.47       1069.566 15307.47       1069.566 0.000000       0.000000 716.1390 25.50667 ?        ?        0.000000       25.50667 
1 1 1 19  7  7  o 213.9234 25.07825 1382.097       308.6681 1382.097       308.6681 0.000000       0.000000 213.9234 25.07825 ?        ?        0.000000       25.07825 
1 1 1 19  7  8  o 413.2630 20.21836 5077.167       488.5430 5077.167       488.5430 0.000000       0.000000 413.2630 20.21836 ?        ?        0.000000       20.21836 
1 1 1 19  7  9  o 646.3901 24.06560 12478.26       910.7162 12478.26       910.7162 0.000000       0.000000 646.3901 24.06560 ?        ?        0.000000       24.06560 
1 1 1 19  7  10 o 100.8621 39.34377 207.6261       335.9221 207.6261       335.9221 0.000000       0.000000 100.8621 39.34377 ?        ?        0.000000       39.34377 
1 1 1 19  7  11 o 282.0763 23.74157 2392.169       389.1171 2392.169       389.1171 0.000000       0.000000 282.0763 23.74157 ?        ?        0.000000       23.74157 
1 1 1 19  7  12 o 622.2161 14.98030 11440.51       546.6536 11440.51       546.6536 0.000000       0.000000 622.2161 14.98030 ?        ?        0.000000       14.98030 
1 1 1 19  7  13 o 818.4096 16.88960 19843.76       810.6635 19843.76       810.6635 0.000000       0.000000 818.4096 16.88960 ?        ?        0.000000       16.88960 
1 1 1 19  7  14 o 746.0815 27.32784 16807.86       1193.734 16807.86       1193.734 0.000000       0.000000 746.0815 27.32784 ?        ?        0.000000       27.32784 
1 1 1 19  7  15 o 334.4712 13.56358 3310.214       265.5106 2963.519       385.2805 3623.774       366.4073 314.4406 21.01298 348.8187 17.97134 -34.37805      27.64985 
1 1 1 19  7  16 o 322.8177 13.65676 3085.262       257.9724 3222.349       390.1881 2978.805       343.8465 328.0348 20.38236 315.8897 18.64292 12.14502       27.62244 
1 1 1 19  7  17 o 179.2740 31.29879 1007.152       317.1089 1007.152       317.1089 0.000000       0.000000 179.2740 31.29879 ?        ?        0.000000       31.29879 
1 1 1 19  7  18 o 290.1187 13.08499 2491.659       222.0652 2596.673       300.1552 2364.672       330.0668 295.1211 17.41930 280.7847 20.17825 14.33643       26.65697 
1 1 1 19  7  19 o 391.7414 11.84275 4531.875       271.7713 4714.172       390.9291 4361.367       378.0784 398.1547 16.77916 382.9083 16.87737 15.24634       23.79886 
1 1 1 19  7  20 o 42.83416 21.14524 -416.3242      192.3587 -225.0676      271.8940 -607.9818      272.1788 64.13773 29.83720 50.20322 24.85030 13.93451       38.83035 
1 1 1 19  7  21 o ?        ?        -793.2565      206.5704 -767.4503      290.3356 -819.7124      293.9675 48.89619 24.43885 48.25194 24.18606 0.6442451      34.38347 
1 1 1 19  7  22 o 238.8690 17.07026 1702.697       237.5627 1597.065       328.9645 1817.824       343.4310 229.0670 24.88651 244.7616 24.24281 -15.69461      34.74265 
1 1 1 19  7  23 o 62.07972 27.41839 -49.38057      195.8113 125.9596       268.9862 -247.0461      285.5977 86.41396 34.72373 65.10522 30.38483 21.30874       46.14082 
1 1 1 19  7  24 o 233.3768 14.71734 1620.318       200.4104 1436.164       274.6884 1829.911       293.0477 217.7638 21.80102 246.4880 20.45587 -28.72414      29.89527 
1 1 1 19  7  25 o 83.31493 29.49475 190.1823       180.1575 33.85432       267.3314 320.2509       243.8472 78.61385 33.35892 103.1412 34.39299 -24.52735      47.91342 
1 1 1 19  7  26 o 404.7422 16.36760 4887.702       387.7192 4887.702       387.7192 0.000000       0.000000 404.7422 16.36760 ?        ?        0.000000       16.36760 
1 1 1 19  7  27 o 72.66800 27.78862 119.0767       165.1679 281.5059       261.1963 10.84985       213.2074 99.22112 35.47351 68.96259 29.54252 30.25853       46.16417 
1 1 1 19  7  28 o 238.7145 12.90342 1695.053       179.9769 1528.533       271.7252 1825.204       240.2269 224.0505 20.92106 246.5755 16.71069 -22.52501      26.77570 
1 1 1 19  7  29 o 93.40569 27.93229 275.4645       164.8163 314.5752       258.7373 248.7575       213.8078 101.9781 35.40299 92.10210 32.16973 9.876022       47.83580 
1 1 1 19  7  30 o 269.9809 18.30545 2206.250       288.1298 2206.250       288.1298 0.000000       0.000000 269.9809 18.30545 ?        ?        0.000000       18.30545 
1 1 1 19  7  31 o 137.0765 19.97820 582.3316       155.8881 461.0140       240.4053 670.3529       204.7745 117.4050 33.35413 145.2588 24.93489 -27.85387      41.64428 
1 1 1 19  7  32 o 306.8424 10.51723 2799.063       188.9839 2650.659       277.1413 2928.047       258.3719 295.9309 16.02818 312.1319 14.15102 -16.20096      21.38116 
1 1 1 19  7  33 o 87.83096 24.85895 252.3589       133.7926 100.8941       215.6611 347.1285       170.5888 74.57380 30.66953 101.8568 27.79029 -27.28303      41.38744 
1 1 1 19  7  34 o 164.6702 14.52560 825.8732       138.8446 661.2711       222.6791 930.5701       177.5941 140.3391 28.03676 173.3540 17.71691 -33.01495      33.16547 
1 1 1 19  7  35 o 210.1742 11.52977 1326.989       141.5741 1441.410       234.2023 1261.102       177.7209 214.9692 18.76441 203.1956 15.01947 11.77357       24.03513 
1 1 1 19  7  36 o 119.8330 25.26756 481.9593       171.9768 0.000000       0.000000 481.9593       171.9768 ?        ?        119.8330 25.26756 0.000000       25.26756 
1 1 1 19  7  37 o 56.15266 23.23148 49.14118       124.7280 90.41689       194.1265 20.12234       162.7712 69.24554 28.84389 59.02334 25.55255 10.22221       38.53444 
1 1 1 19  7  38 o 120.2071 19.29956 465.5318       131.4557 423.3554       195.8080 500.1391       177.3696 108.2981 29.86464 120.6777 25.84034 -12.37953      39.49202 
1 1 1 19  7  39 o 48.69871 22.00605 -40.31556      134.0202 31.69468       186.9694 -116.4154      192.2052 62.61343 27.24422 53.36804 24.91349 9.245388       36.91787 
1 1 1 19  7  40 o 83.75364 25.97356 245.5633       140.7945 188.6363       214.1830 288.8805       186.8342 78.56846 31.17990 89.17922 30.10910 -10.61076      43.34447 
1 1 1 19  7  41 o 66.78401 26.67843 117.5099       157.8172 368.5262       261.2880 -26.65839      198.0174 96.65263 35.35198 59.09053 26.72097 37.56211       44.31448 
1 1 1 19  7  42 o 44.39677 21.05256 -131.5644      147.1173 -237.9201      255.8833 -79.04865      179.8069 55.52301 26.71392 52.92878 24.49866 2.594227       36.24662 
1 1 1 19  7  43 o 106.3311 26.66864 410.5778       165.9948 292.1714       266.3557 485.7684       212.2542 88.16523 34.83964 111.9300 31.18054 -23.76477      46.75497 
1 1 1 19  8  0  f 292.0079 12.86660 2514.933       219.8069 2156.028       307.4594 2890.138       314.3635 269.2486 19.60513 312.3904 17.22536 -43.14175      26.09740 
1 1 1 19  8  1  o 215.7820 15.77458 1380.605       198.2497 1216.209       270.7761 1570.549       291.0560 201.0543 23.40077 229.1171 21.92776 -28.06281      32.06903 
1 1 1 19  8  2  f 146.6220 22.05680 651.4357       183.7973 886.5291       254.8396 396.5790       265.3352 170.5742 26.32021 114.6414 35.67311 55.93281       44.33197 
1 1 1 19  8  3  o 413.6565 19.08383 5072.929       461.7259 5072.929       461.7259 0.000000       0.000000 413.6565 19.08383 ?        ?        0.000000       19.08383 
1 1 1 19  8  4  o 237.1203 22.22001 1683.298       305.4039 1683.298       305.4039 0.000000       0.000000 237.1203 22.22001 ?        ?        0.000000       22.22001 
1 1 1 19  8  5  o 349.9284 18.88585 3634.286       386.1482 3634.286       386.1482 0.000000       0.000000 349.9284 18.88585 ?        ?        0.000000       18.88585 
1 1 1 19  8  6  o 163.4662 31.17556 828.9918       287.9731 828.9918       287.9731 0.000000       0.000000 163.4662 31.17556 ?        ?        0.000000       31.17556 
1 1 1 19  8  7  o 81.93468 33.70622 73.67599       260.5768 73.67599       260.5768 0.000000       0.000000 81.93468 33.70622 ?        ?        0.000000       33.70622 
1 1 1 19  8  8  o 342.4284 19.85887 3489.791       397.1069 3489.791       397.1069 0.000000       0.000000 342.4284 19.85887 ?        ?        0.000000       19.85887 
1 1 1 19  8  9  o 294.5569 21.31794 2593.059       365.7770 2593.059       365.7770 0.000000       0.000000 294.5569 21.31794 ?        ?        0.000000       21.31794 
1 1 1 19  8  10 o 401.8602 13.92407 4771.067       327.6687 4771.067       327.6687 0.000000       0.000000 401.8602 13.92407 ?        ?        0.000000       13.92407 
1 1 1 19  8  11 o 832.5840 22.15727 20680.86       1080.957 20680.86       1080.957 0.000000       0.000000 832.5840 22.15727 ?        ?        0.000000       22.15727 
1 1 1 19  8  12 o 392.8974 13.61220 4561.968       313.1853 4561.968       313.1853 0.000000       0.000000 392.8974 13.61220 ?        ?        0.000000       13.61220 
1 1 1 19  8  13 o 488.2575 13.71359 7045.267       392.3017 7045.267       392.3017 0.000000       0.000000 488.2575 13.71359 ?        ?        0.000000       13.71359 
1 1 1 19  8  14 o 713.2385 26.17301 15341.04       1092.954 15341.04       1092.954 0.000000       0.000000 713.2385 26.17301 ?        ?        0.000000       26.17301 
1 1 1 19  8  15 o 341.2460 15.92475 3457.986       317.8274 3457.986       317.8274 0.000000       0.000000 341.2460 15.92475 ?        ?        0.000000       15.92475 
1 1 1 19  8  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  8  17 o 325.3570 13.29410 3133.372       253.1359 3348.200       363.9616 2932.089       352.2997 334.8708 18.60538 313.0968 19.27944 21.77396       26.79285 
1 1 1 19  8  18 o 187.3177 19.05622 1055.634       206.4353 1444.084       292.4683 669.9600       291.4216 218.1907 23.21140 144.6056 34.78807 73.58510       41.82080 
1 1 1 19  8  19 o 225.0414 16.16965 1509.535       211.9868 1622.718       295.1394 1388.918       304.6772 231.8285 21.96967 213.4629 24.79800 18.36560       33.13015 
1 1 1 19  8  20 o 59.51674 27.08059 -116.8502      207.2465 -278.6458      308.2249 16.65805       279.9874 67.06459 31.38619 79.47322 33.94504 -12.40863      46.23158 
1 1 1 19  8  21 o 211.6523 18.39482 1342.277       226.0677 1370.281       332.6929 1318.256       308.1339 211.1612 27.51855 207.6032 25.86741 3.557999       37.76762 
1 1 1 19  8  22 o 268.0494 14.94411 2134.109       233.9984 1900.381       343.7334 2335.976       319.4472 250.4553 23.68262 279.2219 19.63252 -28.76660      30.76203 
1 1 1 19  8  23 o 401.3742 11.47551 4756.936       269.8522 4716.111       385.2399 4796.264       378.1170 398.1733 16.53311 401.7011 16.08242 -3.527802      23.06487 
1 1 1 19  8  24 o 159.0546 20.89097 770.2332       190.1681 704.4374       270.5686 834.4667       267.3371 148.6250 31.98916 163.1023 29.01115 -14.47734      43.18510 
1 1 1 19  8  25 o 143.6427 22.47698 635.3520       183.1495 757.2994       277.9511 541.7743       243.4828 153.9735 31.83243 129.8353 32.14764 24.13824       45.24129 
1 1 1 19  8  26 f 110.8669 36.93604 380.7848       281.2528 380.7848       281.2528 0.000000       0.000000 110.8669 36.93604 ?        ?        0.000000       36.93604 
1 1 1 19  8  27 o 94.69891 28.00546 282.1563       166.4116 112.1980       265.9676 391.4957       213.3271 83.88069 34.22774 110.3715 31.44071 -26.49084      46.47641 
1 1 1 19  8  28 o 87.76173 27.57920 237.8152       158.1860 353.1081       250.6510 161.5000       203.9266 106.1164 34.85003 81.59676 30.95506 24.51965       46.61267 
1 1 1 19  8  29 o 89.72043 28.35963 250.2068       167.0357 398.7740       274.2506 162.5944       210.6051 111.5083 36.44412 82.15066 31.38780 29.35769       48.09748 
1 1 1 19  8  30 o 116.8449 26.24956 439.0478       175.4773 242.1295       290.4172 552.2798       220.2237 96.08781 36.82223 130.1316 29.53434 -34.04383      47.20332 
1 1 1 19  8  31 o 192.4850 14.11907 1113.793       158.2784 1052.086       247.2704 1156.626       206.0139 183.1268 23.56933 194.5979 18.26478 -11.47112      29.81804 
1 1 1 19  8  32 o 59.73200 24.21948 58.83293       132.1715 187.7362       228.2056 -6.233542      162.1336 84.50687 32.57463 58.17332 25.34048 26.33355       41.27041 
1 1 1 19  8  33 o 76.16373 25.69063 179.7925       136.0223 168.2688       218.6217 187.0711       173.7475 80.99580 31.69748 79.56387 28.86908 1.431931       42.87370 
1 1 1 19  8  34 o 153.4490 15.80373 723.5015       140.1929 962.7242       223.9339 569.3089       179.7838 173.4565 22.54596 132.0044 24.11082 41.45218       33.00988 
1 1 1 19  8  35 o 106.3524 22.96408 371.8177       139.0356 316.4265       217.6734 409.9899       180.7002 95.97266 32.49877 109.3387 28.04581 -13.36607      42.92712 
1 1 1 19  8  36 o 82.75946 25.38037 228.9528       134.8865 144.3638       204.9239 293.6200       179.1751 75.84836 30.36630 92.21225 29.39906 -16.36389      42.26603 
1 1 1 19  8  37 o 143.0316 16.64204 640.3680       136.9970 677.8118       210.6015 612.9006       180.3772 140.9154 26.45441 135.8618 23.48719 5.053635       35.37632 
1 1 1 19  8  38 o 92.24149 24.93875 292.8113       138.1173 419.8250       204.5533 186.3806       187.2469 107.0438 30.88125 77.82325 29.62949 29.22054       42.79671 
1 1 1 19  8  39 o 83.79848 25.65578 243.5497       137.9032 220.4799       219.5916 258.5729       177.2047 82.42683 31.90539 85.68790 29.31726 -3.261070      43.32962 
1 1 1 19  8  40 o 65.74956 26.08590 113.1332       149.8787 175.8676       233.7873 69.35828       195.2905 78.33154 32.04195 66.12004 28.29826 12.21150       42.74902 
1 1 1 19  8  41 o 47.61929 22.17400 -91.67628      150.7335 -51.32357      237.6592 -118.8327      194.9642 62.33681 28.60362 53.08206 24.88090 9.254753       37.91077 
1 1 1 19  8  42 o 51.52560 23.44578 -42.71163      155.3717 -205.8192      256.7419 51.54037       195.1664 56.81250 27.18194 63.94884 27.83003 -7.136337      38.90203 
1 1 1 19  8  43 o 126.1504 23.28899 547.9152       165.9558 597.8240       264.5531 515.5323       213.0992 120.0547 35.26003 115.6907 30.84540 4.363998       46.84772 
1 1 1 19  9  0  o 466.2186 13.89468 6410.366       379.4930 6437.972       512.6218 6376.892       564.4879 466.1250 18.79036 463.3577 20.82567 2.767303       28.04971 
1 1 1 19  9  1  o 310.8230 11.94100 2847.384       217.2680 2793.742       316.6584 2895.101       298.6579 306.9545 17.66463 312.7368 16.34006 -5.782288      24.06318 
1 1 1 19  9  2  o 289.3200 12.86273 2469.827       217.7083 2661.618       313.1628 2290.439       302.8673 299.5200 17.90943 277.6191 18.71098 21.90088       25.90074 
1 1 1 19  9  3  o 138.8525 24.44797 590.3546       191.8203 715.2637       240.8912 373.9029       317.1060 152.3570 27.99041 114.6355 39.21832 37.72149       48.18236 
1 1 1 19  9  4  o 540.0273 20.61150 8661.523       651.5950 8661.523       651.5950 0.000000       0.000000 540.0273 20.61150 ?        ?        0.000000       20.61150 
1 1 1 19  9  5  o 261.0865 19.93336 2032.252       302.9142 2032.252       302.9142 0.000000       0.000000 261.0865 19.93336 ?        ?        0.000000       19.93336 
1 1 1 19  9  6  o 541.5676 20.81926 8720.163       660.0226 8720.163       660.0226 0.000000       0.000000 541.5676 20.81926 ?        ?        0.000000       20.81926 
1 1 1 19  9  7  o 400.1925 19.27636 4759.233       451.0924 4759.233       451.0924 0.000000       0.000000 400.1925 19.27636 ?        ?        0.000000       19.27636 
1 1 1 19  9  8  o 173.3813 30.07157 930.1940       294.7001 930.1940       294.7001 0.000000       0.000000 173.3813 30.07157 ?        ?        0.000000       30.07157 
1 1 1 19  9  9  o 222.4142 25.06708 1497.759       321.2881 1497.759       321.2881 0.000000       0.000000 222.4142 25.06708 ?        ?        0.000000       25.06708 
1 1 1 19  9  10 o 249.5457 24.61059 1880.501       355.4993 1880.501       355.4993 0.000000       0.000000 249.5457 24.61059 ?        ?        0.000000       24.61059 
1 1 1 19  9  11 o 310.3859 21.83381 2886.250       394.9138 2886.250       394.9138 0.000000       0.000000 310.3859 21.83381 ?        ?        0.000000       21.83381 
1 1 1 19  9  12 o 253.6344 17.50978 1916.604       258.8604 1916.604       258.8604 0.000000       0.000000 253.6344 17.50978 ?        ?        0.000000       17.50978 
1 1 1 19  9  13 o 219.3835 19.45023 1442.863       247.6622 1442.863       247.6622 0.000000       0.000000 219.3835 19.45023 ?        ?        0.000000       19.45023 
1 1 1 19  9  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  9  15 o 293.0591 13.91687 2544.757       238.5090 2546.306       355.5553 2543.490       321.6004 291.2570 20.95525 291.7209 18.89914 -0.4638977     28.21879 
1 1 1 19  9  16 o 613.1246 18.08590 11190.34       649.6274 0.000000       0.000000 11190.34       649.6274 ?        ?        613.1246 18.08590 0.000000       18.08590 
1 1 1 19  9  17 o 148.7150 26.05800 685.6832       218.9928 491.9181       296.4985 918.2677       324.8442 124.6424 37.50826 170.0974 33.75483 -45.45491      50.46045 
1 1 1 19  9  18 o 91.54018 31.10837 241.0602       199.4614 105.9171       282.2641 375.8531       281.8982 86.35518 35.25193 111.6169 36.97207 -25.26173      51.08457 
1 1 1 19  9  19 o 401.3915 12.03173 4758.601       282.9152 4650.436       397.8730 4869.225       402.3698 395.3229 17.20215 404.6019 16.99477 -9.278992      24.18132 
1 1 1 19  9  20 o 91.28724 31.83178 232.6712       209.2894 403.1483       298.8116 68.50661       293.2272 115.2908 38.06015 84.84685 35.40445 30.44396       51.98124 
1 1 1 19  9  21 o 372.9583 12.77080 4112.571       278.9251 3736.174       379.5269 4554.642       411.3064 353.9055 18.34806 390.9669 17.98622 -37.06146      25.69349 
1 1 1 19  9  22 o 100.6105 31.68762 309.0836       208.7134 550.8371       306.6469 100.4275       284.8838 131.1127 37.80593 86.17392 35.32404 44.93881       51.74046 
1 1 1 19  9  23 o 50.66894 23.93296 -203.5360      186.6380 -500.4422      279.4226 35.63065       250.7854 54.36489 26.56005 76.76910 32.43069 -22.40421      41.91880 
1 1 1 19  9  24 o 83.75733 30.27529 185.6593       190.8508 273.5107       295.3979 122.7135       250.0440 101.5891 37.51573 83.64841 33.52473 17.94067       50.31240 
1 1 1 19  9  25 o 73.49258 28.98829 102.9870       184.0940 210.9244       302.1551 39.26558       232.1596 96.19445 37.37304 74.16626 31.26034 22.02819       48.72323 
1 1 1 19  9  26 f 299.9495 12.03460 2666.663       211.2748 2605.339       334.3954 2707.407       272.5697 293.9431 19.50791 301.1923 15.48257 -7.249207      24.90519 
1 1 1 19  9  27 o 69.20329 31.07699 -89.56013      262.5570 -89.56013      262.5570 0.000000       0.000000 69.20329 31.07699 ?        ?        0.000000       31.07699 
1 1 1 19  9  28 o 64.58519 27.01780 36.73124       171.4030 -191.5495      261.4784 208.7324       226.9692 63.33959 29.39556 88.68848 32.86050 -25.34888      44.08981 
1 1 1 19  9  29 o 297.9839 11.68315 2636.142       203.7797 2629.766       322.1556 2640.394       263.1048 294.8106 18.72938 296.9872 15.15581 -2.176575      24.09332 
1 1 1 19  9  30 o 256.7025 13.20990 1967.734       198.2061 1904.516       312.1339 2010.450       256.5743 248.8361 21.60216 257.9506 17.05573 -9.114517      27.52365 
1 1 1 19  9  31 o 155.7488 16.30710 738.7296       146.7485 841.7313       234.3985 672.3326       188.1942 162.3635 25.45172 146.0147 22.71484 16.34879       34.11384 
1 1 1 19  9  32 o 46.12141 21.27927 -89.83743      134.0717 -120.6393      221.1116 -71.92807      168.6021 59.61899 27.44186 54.06861 24.53237 5.550381       36.80887 
1 1 1 19  9  33 o 117.6395 19.79317 438.1637       131.7152 545.7307       221.2586 379.1198       163.9262 126.1989 30.28200 106.5672 26.37281 19.63170       40.15625 
1 1 1 19  9  34 o 77.71505 25.49259 193.4458       134.1354 49.61800       214.8131 285.3669       171.7303 69.36656 29.68317 91.99279 28.71047 -22.62623      41.29626 
1 1 1 19  9  35 o 154.7153 15.97385 738.9619       142.8601 676.0890       222.8711 782.8123       186.1268 141.0665 27.92747 156.6980 20.76380 -15.63144      34.80056 
1 1 1 19  9  36 o 178.0788 13.83434 968.5861       143.3519 709.8774       225.0668 1145.180       185.9489 143.9679 27.66095 192.0368 16.67559 -48.06894      32.29866 
1 1 1 19  9  37 o 78.33759 25.77394 204.3874       137.0716 72.56155       208.5976 304.5651       181.8422 69.04478 29.38914 92.81464 29.61992 -23.76986      41.72602 
1 1 1 19  9  38 o 47.71579 21.61922 -45.23074      130.3755 -22.19008      207.2176 -60.32786      167.7359 61.45517 27.60208 53.15091 24.25298 8.304253       36.74345 
1 1 1 19  9  39 o 80.01269 27.01208 219.8432       150.3754 357.8962       247.6342 139.1983       189.2675 96.89503 34.55159 72.27347 29.09736 24.62156       45.17155 
1 1 1 19  9  40 o 89.07617 27.06713 284.5521       153.8741 148.0140       250.9386 366.8276       194.7941 76.96209 32.47269 98.79642 30.53638 -21.83434      44.57518 
1 1 1 19  9  41 o 44.21265 21.04412 -145.1339      149.7612 -540.4463      256.6381 58.99423       184.4175 46.39792 23.15733 63.71083 27.38720 -17.31290      35.86531 
1 1 1 19  9  42 o 53.68728 24.35585 -35.08042      166.1118 33.60445       272.9178 -75.49815      209.3569 70.05718 31.55330 57.10436 26.43271 12.95282       41.16186 
1 1 1 19  9  43 o 166.8153 19.89538 916.3484       190.8109 900.2823       286.0411 929.2297       256.1254 151.6583 33.09201 159.5844 28.40745 -7.926102      43.61267 
1 1 1 19  10 0  o 247.2610 14.07606 1808.147       203.2775 1883.615       246.1424 1646.268       360.4947 251.9473 16.75330 233.2331 26.84368 18.71417       31.64264 
1 1 1 19  10 1  o 296.5761 12.19357 2594.016       211.6363 2888.724       305.1283 2320.801       293.7914 312.2396 16.72366 279.5266 18.01708 32.71292       24.58244 
1 1 1 19  10 2  o 467.1520 13.84490 6438.804       378.8953 6383.403       501.2242 6512.675       578.7833 464.0345 18.45433 467.9284 21.14510 -3.893921      28.06559 
1 1 1 19  10 3  o 367.9182 13.32125 3994.342       286.9651 4359.003       382.7924 3526.455       433.5997 383.6156 17.05705 343.8810 21.60884 39.73468       27.52971 
1 1 1 19  10 4  o 252.8381 18.19262 1901.947       267.9631 1901.947       267.9631 0.000000       0.000000 252.8381 18.19262 ?        ?        0.000000       18.19262 
1 1 1 19  10 5  o 74.61666 30.55184 64.67895       212.8047 64.67895       212.8047 0.000000       0.000000 74.61666 30.55184 ?        ?        0.000000       30.55184 
1 1 1 19  10 6  o 211.3502 22.22198 1343.635       271.3297 1343.635       271.3297 0.000000       0.000000 211.3502 22.22198 ?        ?        0.000000       22.22198 
1 1 1 19  10 7  o 192.9034 24.56093 1128.906       271.5736 1128.906       271.5736 0.000000       0.000000 192.9034 24.56093 ?        ?        0.000000       24.56093 
1 1 1 19  10 8  o 208.1009 23.92651 1309.864       286.7069 1309.864       286.7069 0.000000       0.000000 208.1009 23.92651 ?        ?        0.000000       23.92651 
1 1 1 19  10 9  o 420.9363 13.28732 5232.353       327.6123 5232.353       327.6123 0.000000       0.000000 420.9363 13.28732 ?        ?        0.000000       13.28732 
1 1 1 19  10 10 o 180.9844 22.46828 991.8509       233.3663 991.8509       233.3663 0.000000       0.000000 180.9844 22.46828 ?        ?        0.000000       22.46828 
1 1 1 19  10 11 o 113.3115 32.18763 401.5983       223.8963 401.5983       223.8963 0.000000       0.000000 113.3115 32.18763 ?        ?        0.000000       32.18763 
1 1 1 19  10 12 o 219.3888 30.33443 1486.098       379.8698 1486.098       379.8698 0.000000       0.000000 219.3888 30.33443 ?        ?        0.000000       30.33443 
1 1 1 19  10 13 o 558.1793 14.24853 9217.995       466.0572 9217.995       466.0572 0.000000       0.000000 558.1793 14.24853 ?        ?        0.000000       14.24853 
1 1 1 19  10 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  10 15 o 92.92570 29.17770 261.4223       177.0906 123.9597       226.3264 478.4630       284.3894 81.37955 32.12859 123.0223 36.66805 -41.64270      48.75236 
1 1 1 19  10 16 o 179.5199 18.04140 967.8499       187.3747 803.7311       236.8616 1242.312       306.3068 161.3312 25.91077 201.1181 26.62219 -39.78690      37.14981 
1 1 1 19  10 17 o 119.5169 26.38295 447.7030       179.9725 544.6521       224.3554 272.7154       301.4174 131.2660 29.82349 102.5136 37.88908 28.75237       48.21849 
1 1 1 19  10 18 o 291.5573 13.08271 2516.423       223.1333 2441.899       320.8111 2586.258       310.5552 285.6280 19.26397 294.3358 18.07780 -8.707794      26.41793 
1 1 1 19  10 19 o 196.8615 19.05048 1164.569       217.2012 1082.719       316.6237 1237.322       298.5133 186.4814 29.96547 200.9898 25.92781 -14.50835      39.62550 
1 1 1 19  10 20 o 219.7842 18.16450 1446.024       232.0484 1372.151       330.4441 1517.895       325.9342 211.3672 27.29342 223.1239 25.35694 -11.75671      37.25460 
1 1 1 19  10 21 o 240.4566 16.58936 1724.003       232.5127 1800.999       349.1039 1662.619       311.7096 243.3728 24.80500 234.3448 22.97501 9.028030       33.81034 
1 1 1 19  10 22 o 67.94275 29.08670 4.234165       206.4326 -97.45753      316.9570 79.14745       272.0427 77.08303 34.41455 82.92168 34.30818 -5.838654      48.59437 
1 1 1 19  10 23 o 253.7932 14.75365 1915.724       218.6521 1662.901       327.8796 2118.200       293.4232 233.5404 24.29339 265.7305 18.95234 -32.19009      30.81169 
1 1 1 19  10 24 f 96.68745 30.23979 287.8799       190.4069 33.15112       305.9850 448.8490       243.2386 83.29074 35.52821 118.3931 33.52158 -35.10234      48.84619 
1 1 1 19  10 25 o 136.3002 24.64816 580.2747       189.7789 619.1930       295.6691 553.0068       247.4883 137.4440 36.18900 130.7618 32.43085 6.682114       48.59428 
1 1 1 19  10 26 o 282.6041 12.65954 2371.151       209.2873 2339.610       342.1604 2390.006       264.5464 277.6756 21.17034 282.6873 16.02237 -5.011719      26.54995 
1 1 1 19  10 27 o 308.1161 11.70426 2814.534       211.1147 3018.196       330.3183 2673.894       274.4948 316.8334 17.84888 299.0020 15.70853 17.83142       23.77689 
1 1 1 19  10 28 o 78.66273 28.30775 168.7943       166.6271 515.5159       272.0563 -39.34784      210.7891 124.8441 35.48669 64.50995 28.47163 60.33419       45.49658 
1 1 1 19  10 29 o 263.3291 13.28372 2068.459       204.4863 2161.794       339.6578 2015.399       256.0980 265.3727 22.02218 258.5362 16.98424 6.836517       27.81080 
1 1 1 19  10 30 o 38.65752 19.03054 -306.9241      152.1828 -355.0673      262.4248 -282.5301      186.8006 55.81290 26.90385 46.29110 22.40777 9.521805       35.01322 
1 1 1 19  10 31 o 175.4959 14.43276 930.3315       147.2365 604.4208       227.5257 1165.141       193.1253 134.8343 29.58693 195.4661 17.01622 -60.63176      34.13119 
1 1 1 19  10 32 o 118.2551 20.43970 443.0171       136.6311 294.1898       222.8611 532.6430       172.9458 95.04588 32.86421 128.3593 23.85154 -33.31337      40.60729 
1 1 1 19  10 33 o 104.2672 22.38373 353.4196       132.7842 304.9220       209.6028 385.9306       171.6136 95.27702 31.88898 107.0013 27.27105 -11.72430      41.95971 
1 1 1 19  10 34 o 73.75069 24.87758 170.5468       127.5489 -106.6944      213.0717 325.3781       159.2305 58.37488 26.89422 97.99907 26.89440 -39.62419      38.03430 
1 1 1 19  10 35 o 91.33751 24.67965 280.2414       135.3105 271.4323       213.1013 286.1922       175.1489 90.11543 32.06077 91.44908 29.05672 -1.333656      43.26877 
1 1 1 19  10 36 o 78.47961 25.69697 203.9372       136.3214 503.5172       223.2389 25.79691       172.1451 117.7236 31.65269 60.89734 26.32086 56.82627       41.16650 
1 1 1 19  10 37 o 70.08194 25.04104 151.9896       130.1363 1.028687       211.8416 243.4880       164.9247 63.90934 28.35773 84.35708 28.28761 -20.44774      40.05434 
1 1 1 19  10 38 o 89.66851 25.48718 279.1469       140.3392 501.9594       221.7413 130.2599       181.2613 116.1238 31.68459 71.09277 28.52617 45.03103       42.63397 
1 1 1 19  10 39 o 76.96896 26.51861 200.2491       145.0589 128.7339       225.5394 250.7027       189.4391 74.03671 30.98334 84.47475 30.20932 -10.43803      43.27320 
1 1 1 19  10 40 o 117.4276 24.82506 479.7660       165.6115 1009.069       304.3551 257.1251       197.3927 162.8947 32.99079 84.78845 30.76997 78.10625       45.11301 
1 1 1 19  10 41 f 65.46253 26.49939 107.8234       157.9296 26.77082       277.7558 146.5465       191.9837 70.42781 31.76600 72.22200 29.22377 -1.794189      43.16372 
1 1 1 19  10 42 f 53.92625 24.57513 -42.49819      171.5137 137.8840       281.1340 -149.4380      216.4644 76.98275 33.45303 54.13307 25.63037 22.84968       42.14286 
1 1 1 19  10 43 o 46.01147 21.83740 -136.1504      158.9693 -318.5417      278.7696 -48.25670      193.5184 54.92957 26.76846 56.39679 25.85310 -1.467213      37.21469 
1 1 1 19  11 0  o 291.6317 11.21390 2506.786       191.4396 2496.220       264.6767 2518.378       277.2324 290.3224 15.60209 291.4845 16.28199 -1.162109      22.55058 
1 1 1 19  11 1  o 142.7014 18.52367 612.9357       151.3717 624.6880       185.5184 589.5273       261.8263 143.1638 22.86424 136.9686 32.98928 6.195221       40.13808 
1 1 1 19  11 2  o 48.36867 22.62088 -154.3088      159.6476 -95.78851      185.9741 -318.2309      311.2562 57.35583 25.92000 66.28082 31.18386 -8.924988      40.54972 
1 1 1 19  11 3  o 78.28856 27.69954 161.6666       158.8755 151.9912       185.8152 187.9671       306.3565 80.04523 29.71859 96.46827 37.58890 -16.42304      47.91784 
1 1 1 19  11 4  o 305.5028 12.97505 2756.016       231.9448 2837.386       297.1020 2629.023       371.1608 309.3447 16.43515 296.5647 21.48558 12.78000       27.05077 
1 1 1 19  11 5  o 489.5577 19.14558 7120.533       548.6367 7120.533       548.6367 0.000000       0.000000 489.5577 19.14558 ?        ?        0.000000       19.14558 
1 1 1 19  11 6  o 383.9040 17.52552 4374.082       393.5475 4374.082       393.5475 0.000000       0.000000 383.9040 17.52552 ?        ?        0.000000       17.52552 
1 1 1 19  11 7  o 251.2533 20.11149 1887.896       293.8785 1887.896       293.8785 0.000000       0.000000 251.2533 20.11149 ?        ?        0.000000       20.11149 
1 1 1 19  11 8  o 118.7732 35.03736 439.7375       260.7400 439.7375       260.7400 0.000000       0.000000 118.7732 35.03736 ?        ?        0.000000       35.03736 
1 1 1 19  11 9  o 95.08589 31.72298 262.4333       207.4512 262.4333       207.4512 0.000000       0.000000 95.08589 31.72298 ?        ?        0.000000       31.72298 
1 1 1 19  11 10 o 506.9193 18.43394 7640.688       547.1213 7640.688       547.1213 0.000000       0.000000 506.9193 18.43394 ?        ?        0.000000       18.43394 
1 1 1 19  11 11 o 247.3371 24.56427 1852.757       351.6190 1852.757       351.6190 0.000000       0.000000 247.3371 24.56427 ?        ?        0.000000       24.56427 
1 1 1 19  11 12 f 490.5051 13.93499 7116.861       400.4611 7116.861       400.4611 0.000000       0.000000 490.5051 13.93499 ?        ?        0.000000       13.93499 
1 1 1 19  11 13 o 596.3143 18.91905 10595.61       660.8077 10595.61       660.8077 0.000000       0.000000 596.3143 18.91905 ?        ?        0.000000       18.91905 
1 1 1 19  11 14 o 609.4736 14.34827 10989.80       512.8671 10989.80       512.8671 0.000000       0.000000 609.4736 14.34827 ?        ?        0.000000       14.34827 
1 1 1 19  11 15 o 291.6729 16.20494 2531.279       276.1107 2531.279       276.1107 0.000000       0.000000 291.6729 16.20494 ?        ?        0.000000       16.20494 
1 1 1 19  11 16 o 158.4002 20.94364 762.2977       189.7993 327.8641       235.7004 1563.588       320.1058 104.1219 33.76873 226.6996 24.46336 -122.5777      41.69872 
1 1 1 19  11 17 o 190.4651 16.68199 1084.803       184.4640 1060.980       233.3650 1124.476       301.1544 187.1100 21.66603 190.8274 27.71916 -3.717346      35.18194 
1 1 1 19  11 18 f 233.8033 14.40073 1623.477       196.5048 1771.083       264.0435 1440.236       294.1944 243.2292 18.65245 217.8625 23.39097 25.36668       29.91741 
1 1 1 19  11 19 o 365.1089 12.71616 3941.123       271.8727 4233.681       404.5364 3700.143       367.1489 376.7920 18.36179 352.3655 17.82425 24.42651       25.59022 
1 1 1 19  11 20 f 404.7661 12.13211 4839.645       287.6739 4501.468       410.9426 5164.623       402.8430 388.6151 18.08019 416.8635 16.51016 -28.24844      24.48425 
1 1 1 19  11 21 o 123.5185 29.33441 482.5127       209.3219 362.0124       317.0714 575.6003       278.6820 111.8699 39.16834 133.9509 35.06912 -22.08099      52.57378 
1 1 1 19  11 22 o 484.0986 11.73712 6918.198       333.2313 6572.357       476.8514 7248.280       465.8612 469.6905 17.34071 493.8091 16.10751 -24.11862      23.66754 
1 1 1 19  11 23 o 189.3622 18.53914 1080.068       203.2539 1141.792       322.2755 1039.300       261.9117 190.9999 29.73794 183.7795 24.94331 7.220459       38.81384 
1 1 1 19  11 24 o 75.71104 29.70060 114.0149       192.3324 264.4143       319.3879 28.44431       240.9116 102.1841 38.74544 74.52168 31.64686 27.66238       50.02732 
1 1 1 19  11 25 o 108.1263 29.13534 373.6326       188.8936 586.5317       310.2316 248.2024       238.1223 133.3852 37.88818 94.22054 33.84846 39.16466       50.80583 
1 1 1 19  11 26 o 118.7531 26.61582 448.9510       180.7707 732.8970       294.2453 276.8099       229.1047 149.6035 34.27371 96.57654 33.32470 53.02692       47.80401 
1 1 1 19  11 27 o 165.9102 18.59505 836.7841       177.8248 617.0598       291.7629 966.6443       224.3000 136.3375 35.97358 177.2630 22.05085 -40.92551      42.19406 
1 1 1 19  11 28 o 64.44295 27.04389 34.82315       172.5666 373.3088       281.4731 -169.0245      218.4337 108.8642 36.95495 57.58412 26.77319 51.28011       45.63411 
1 1 1 19  11 29 o 88.16153 29.08486 239.6058       174.5077 63.96275       303.5147 326.3415       213.2865 83.27058 35.44765 100.8630 32.06646 -17.59241      47.79952 
1 1 1 19  11 30 o 94.38390 35.85541 246.9859       273.8311 246.9859       273.8311 0.000000       0.000000 94.38390 35.85541 ?        ?        0.000000       35.85541 
1 1 1 19  11 31 o 51.22497 22.88265 -41.27934      140.3347 -345.4904      232.0806 134.0647       176.1963 51.03260 24.76733 74.03377 28.60028 -23.00117      37.83381 
1 1 1 19  11 32 o 71.25410 26.35566 140.1623       145.8928 161.2084       228.0959 125.5911       189.7921 81.07405 32.17588 73.96606 29.35171 7.107994       43.55238 
1 1 1 19  11 33 o 135.9955 17.44880 575.5536       135.9659 490.4804       213.1489 633.9200       176.5500 118.9453 30.43381 140.4919 22.16091 -21.54665      37.64735 
1 1 1 19  11 34 o 173.0408 14.19204 912.7825       142.7625 1017.689       233.8121 850.4232       180.2673 177.5970 22.98685 164.5340 19.03195 13.06297       29.84309 
1 1 1 19  11 35 o 147.0512 16.02005 670.3791       135.9290 590.4124       215.6557 723.0899       175.0880 130.3553 28.96106 150.3933 20.37428 -20.03804      35.40981 
1 1 1 19  11 36 o 86.48005 24.91645 254.5522       133.2456 144.6408       224.0540 314.6957       165.7395 76.74516 31.37749 94.78890 27.92721 -18.04375      42.00566 
1 1 1 19  11 37 o 102.3582 24.43074 357.9574       144.6169 374.7633       226.0762 346.3177       188.1466 100.4043 33.10364 97.96690 29.96215 2.437439       44.64954 
1 1 1 19  11 38 o 48.56318 22.21415 -60.10934      141.8526 126.7106       225.9930 -181.5678      182.2205 74.27101 31.04316 48.30492 23.05349 25.96609       38.66705 
1 1 1 19  11 39 o 40.42092 19.57144 -195.5492      142.7447 -224.2489      230.0499 -177.5817      182.0234 53.26282 25.54910 48.25613 23.03319 5.006687       34.39890 
1 1 1 19  11 40 o 125.9103 21.45292 529.6044       152.7417 319.7746       251.0847 652.8707       192.4460 91.73357 34.44790 137.4189 24.79069 -45.68531      42.44097 
1 1 1 19  11 41 o 62.18626 28.37679 -31.38931      229.6513 0.000000       0.000000 -31.38931      229.6513 ?        ?        62.18626 28.37679 0.000000       28.37679 
1 1 1 19  11 42 o 64.26151 27.10545 82.35980       174.7529 379.1209       277.7193 -112.1621      224.8469 95.90051 36.18215 57.01168 26.72183 38.88882       44.98004 
1 1 1 19  12 0  o 468.2437 11.38196 6455.697       312.5645 6113.209       470.3412 6726.575       418.2891 454.0064 17.69837 477.0262 14.97000 -23.01971      23.18045 
1 1 1 19  12 1  o 181.5158 16.04958 981.4787       169.0967 1043.524       200.1593 826.8057       316.0297 186.7411 18.51991 162.0775 34.31745 24.66362       38.99582 
1 1 1 19  12 2  o 276.0128 22.45410 2284.436       360.3387 0.000000       0.000000 2284.436       360.3387 ?        ?        276.0128 22.45410 0.000000       22.45410 
1 1 1 19  12 3  o 312.3435 12.70737 2880.553       232.2902 3151.831       303.4333 2496.490       361.0417 326.1224 15.91275 288.8533 21.46569 37.26910       26.72062 
1 1 1 19  12 4  o 758.4654 18.52428 17061.62       824.0007 17988.02       1198.505 16231.18       1134.734 773.8467 26.44681 735.0986 26.36341 38.74805       37.34251 
1 1 1 19  12 5  o 264.1660 17.42701 2076.121       268.4835 2076.121       268.4835 0.000000       0.000000 264.1660 17.42701 ?        ?        0.000000       17.42701 
1 1 1 19  12 6  o 304.6038 17.48142 2758.400       310.9816 2758.400       310.9816 0.000000       0.000000 304.6038 17.48142 ?        ?        0.000000       17.48142 
1 1 1 19  12 7  f 229.2815 19.56243 1573.453       260.5422 1573.453       260.5422 0.000000       0.000000 229.2815 19.56243 ?        ?        0.000000       19.56243 
1 1 1 19  12 8  o 83.18601 30.58345 171.5604       195.9489 171.5604       195.9489 0.000000       0.000000 83.18601 30.58345 ?        ?        0.000000       30.58345 
1 1 1 19  12 9  o 264.4599 23.89935 2111.202       366.6812 2111.202       366.6812 0.000000       0.000000 264.4599 23.89935 ?        ?        0.000000       23.89935 
1 1 1 19  12 10 o 103.5212 35.48684 308.5471       259.6648 308.5471       259.6648 0.000000       0.000000 103.5212 35.48684 ?        ?        0.000000       35.48684 
1 1 1 19  12 11 o 134.2853 29.49388 567.5624       225.9123 567.5624       225.9123 0.000000       0.000000 134.2853 29.49388 ?        ?        0.000000       29.49388 
1 1 1 19  12 12 o 533.2289 18.78600 8473.082       586.5695 8473.082       586.5695 0.000000       0.000000 533.2289 18.78600 ?        ?        0.000000       18.78600 
1 1 1 19  12 13 o 476.1728 20.64622 6784.138       575.2044 6784.138       575.2044 0.000000       0.000000 476.1728 20.64622 ?        ?        0.000000       20.64622 
1 1 1 19  12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  12 15 o 251.1474 13.68279 1870.488       200.7753 1715.146       255.8374 2119.553       323.9471 239.3743 18.36392 265.4693 20.97737 -26.09500      27.87981 
1 1 1 19  12 16 o 114.2200 27.95823 411.0305       185.7447 552.4068       235.9730 180.7592       301.1576 131.9499 31.01944 94.41309 37.12662 37.53683       48.37965 
1 1 1 19  12 17 o 372.9786 10.90077 4104.201       238.1910 4057.979       304.1826 4177.470       382.9714 370.1328 14.03829 374.5242 17.48381 -4.391449      22.42225 
1 1 1 19  12 18 o 74.73972 29.53394 101.4930       191.4043 100.4553       256.6783 102.7929       287.2709 82.92493 33.70425 86.71325 35.50006 -3.788315      48.95131 
1 1 1 19  12 19 o 300.2231 12.93429 2667.226       227.2046 2754.707       303.4842 2555.667       342.7119 304.1016 17.08507 291.9832 20.13672 12.11841       26.40809 
1 1 1 19  12 20 o 35.51932 18.02535 -711.8649      194.7457 -725.1022      274.9550 -698.5392      275.8712 47.62947 23.80224 48.39705 24.13217 -0.7675743     33.89556 
1 1 1 19  12 21 o 410.3612 11.91275 4975.358       286.3973 5041.972       430.8769 4922.634       383.3329 411.1689 17.91124 406.9224 16.09428 4.246460       24.07983 
1 1 1 19  12 22 o 227.1981 16.16636 1541.314       214.0036 1425.969       329.2843 1625.657       281.5780 215.1852 26.66195 231.9927 20.91991 -16.80751      33.88956 
1 1 1 19  12 23 o 265.9023 14.23661 2102.246       221.2040 1938.311       362.4058 2199.586       279.2588 251.7485 24.87041 271.0140 17.66599 -19.26555      30.50614 
1 1 1 19  12 24 o 65.64263 27.95072 14.81304       188.7924 -99.78185      311.9412 81.04959       237.1586 75.62066 33.92306 78.12399 32.14910 -2.503326      46.73691 
1 1 1 19  12 25 o 326.1502 11.68967 3151.320       223.2378 3327.313       356.3148 3037.600       286.4202 332.7122 18.33143 319.0288 15.35323 13.68341       23.91157 
1 1 1 19  12 26 o 229.9655 14.53133 1579.756       194.9808 1681.805       322.9219 1521.205       244.6022 233.7725 23.88887 224.2772 18.76816 9.495331       30.37963 
1 1 1 19  12 27 o 45.58162 21.79001 -210.9650      164.2347 -399.0805      268.8679 -98.99689      207.4311 55.61534 26.91209 59.94425 27.20334 -4.328911      38.26595 
1 1 1 19  12 28 o 212.9029 14.96688 1360.234       185.6896 1465.308       323.9444 1308.814       226.6151 216.2157 26.07225 207.4485 18.83133 8.767227       32.16180 
1 1 1 19  12 29 o 35.38503 17.76591 -462.4907      161.8581 -395.7010      276.3000 -497.3856      199.7135 56.40500 27.29115 41.10757 20.50300 15.29743       34.13473 
1 1 1 19  12 30 o 124.7795 21.75185 492.2281       153.3967 561.4300       261.6141 455.9710       189.3647 127.9247 34.20804 117.5960 27.88327 10.32869       44.13238 
1 1 1 19  12 31 o 88.85065 32.06871 242.1584       214.0330 345.1736       236.2952 -228.5655      505.1116 101.4102 33.85712 85.93645 40.20546 15.47378       52.56218 
1 1 1 19  12 32 o 72.50336 26.08446 153.3318       141.4705 78.49918       231.7992 197.7514       178.5885 74.01156 31.21782 80.95795 29.28338 -6.946396      42.80267 
1 1 1 19  12 33 f 264.5735 10.36415 2090.946       160.5054 1897.717       257.4641 2213.780       205.2772 247.6138 17.84907 270.8604 12.96004 -23.24663      22.05792 
1 1 1 19  12 34 o 80.72756 26.31459 213.6228       143.0295 -41.98254      232.0998 370.1202       181.6116 64.66287 29.11319 103.3108 28.86524 -38.64794      40.99732 
1 1 1 19  12 35 o 91.81004 24.74314 285.6353       136.2200 490.4856       226.6466 169.7908       170.4389 116.1110 32.17348 75.61550 28.38448 40.49549       42.90468 
1 1 1 19  12 36 o 46.08448 21.32801 -83.83102      136.2134 46.38857       245.0368 -142.0660      163.8645 70.85361 31.00240 47.58356 22.46039 23.27005       38.28339 
1 1 1 19  12 37 o 35.42573 17.57674 -301.1210      139.1921 -551.9017      247.3416 -184.8928      168.3859 45.45168 22.69264 45.93424 21.98694 -0.4825668     31.59718 
1 1 1 19  12 38 o 82.96867 26.62181 240.0331       146.7435 71.85569       238.3093 342.7476       186.2401 70.89728 30.80431 96.61255 29.85787 -25.71527      42.89986 
1 1 1 19  12 39 o 41.38841 19.99746 -191.3997      147.0605 -272.7296      242.1704 -143.8870      185.0975 52.82976 25.55858 50.35460 23.79937 2.475159       34.92350 
1 1 1 19  12 40 o 44.65694 21.05085 -116.1598      143.0700 254.9481       248.0843 -301.0871      175.1256 85.33959 33.65440 41.64633 20.48479 43.69326       39.39854 
1 1 1 19  12 41 o 35.33243 17.67024 -369.0622      152.8248 -188.0723      266.0936 -458.1467      186.6846 58.53286 27.91357 38.43481 19.26650 20.09806       33.91704 
1 1 1 19  12 42 o 147.6345 30.14763 817.5673       252.1941 0.000000       0.000000 817.5673       252.1941 ?        ?        147.6345 30.14763 0.000000       30.14763 
1 1 1 19  13 0  o 281.8015 11.19305 2342.257       184.6194 2281.336       242.8581 2425.663       284.1629 277.4678 14.97969 285.7068 17.03621 -8.238953      22.68531 
1 1 1 19  13 1  o 335.4695 12.43227 3322.063       244.1756 3557.328       314.7205 2966.297       387.0158 346.5302 15.52522 314.9905 21.07103 31.53970       26.17290 
1 1 1 19  13 2  o 195.8878 14.05605 1138.583       160.4075 1018.407       185.3004 1497.906       320.4120 184.6216 17.31577 222.3186 25.00757 -37.69707      30.41734 
1 1 1 19  13 3  o 205.8726 14.07258 1257.146       168.8899 1246.356       207.2538 1278.475       291.3855 204.3582 17.45967 205.2479 24.70291 -0.8897095     30.25019 
1 1 1 19  13 4  o 194.6807 15.29701 1127.319       173.2526 1277.009       209.6957 805.3616       307.5330 206.8602 17.44722 159.7360 33.87909 47.12421       38.10771 
1 1 1 19  13 5  o 233.3202 13.98310 1613.245       190.4623 1503.440       232.2163 1838.947       332.9260 224.4718 17.78450 246.9954 23.25681 -22.52353      29.27742 
1 1 1 19  13 6  o 66.67934 27.98597 26.51386       184.8351 26.51386       184.8351 0.000000       0.000000 66.67934 27.98597 ?        ?        0.000000       27.98597 
1 1 1 19  13 7  o 200.0552 21.66788 1207.576       250.1707 1207.576       250.1707 0.000000       0.000000 200.0552 21.66788 ?        ?        0.000000       21.66788 
1 1 1 19  13 8  o 404.9118 17.62861 4874.871       417.6255 4874.871       417.6255 0.000000       0.000000 404.9118 17.62861 ?        ?        0.000000       17.62861 
1 1 1 19  13 9  o 131.8201 25.26045 538.9911       188.1808 538.9911       188.1808 0.000000       0.000000 131.8201 25.26045 ?        ?        0.000000       25.26045 
1 1 1 19  13 10 o 151.1663 23.85097 701.4611       204.4488 701.4611       204.4488 0.000000       0.000000 151.1663 23.85097 ?        ?        0.000000       23.85097 
1 1 1 19  13 11 o 285.3079 14.36719 2414.112       239.6272 2414.112       239.6272 0.000000       0.000000 285.3079 14.36719 ?        ?        0.000000       14.36719 
1 1 1 19  13 12 o 436.6342 19.77136 5697.305       504.9827 5697.305       504.9827 0.000000       0.000000 436.6342 19.77136 ?        ?        0.000000       19.77136 
1 1 1 19  13 13 o 194.4437 20.77924 1142.173       233.2906 1142.173       233.2906 0.000000       0.000000 194.4437 20.77924 ?        ?        0.000000       20.77924 
1 1 1 19  13 14 o 200.4280 32.82314 1262.044       372.4809 1262.044       372.4809 0.000000       0.000000 200.4280 32.82314 ?        ?        0.000000       32.82314 
1 1 1 19  13 15 o 330.1651 14.82955 3234.433       286.4178 3234.433       286.4178 0.000000       0.000000 330.1651 14.82955 ?        ?        0.000000       14.82955 
1 1 1 19  13 16 o 249.2510 14.01574 1843.332       204.0564 1607.603       248.6405 2329.657       357.1316 231.6940 18.45041 278.0432 22.08233 -46.34923      28.77581 
1 1 1 19  13 17 o 281.5430 13.42743 2347.994       221.0724 2252.671       280.2955 2504.895       359.6060 274.7926 17.48311 288.6377 21.39550 -13.84509      27.63017 
1 1 1 19  13 18 o 518.0824 10.97112 7912.230       333.3500 7986.914       438.2672 7809.719       513.4700 519.3450 14.40297 512.5242 17.10642 6.820801       22.36236 
1 1 1 19  13 19 o 62.46586 27.59172 -50.24127      198.3428 -302.2836      275.7847 219.8031       285.4637 61.19107 28.95959 96.33626 36.60627 -35.14518      46.67630 
1 1 1 19  13 20 f 142.4910 23.77405 626.1342       191.6784 570.5826       263.3218 688.7458       279.5544 133.4875 33.65029 146.8382 33.23900 -13.35069      47.29876 
1 1 1 19  13 21 o 326.7314 11.64054 3155.648       222.6998 3299.705       309.1443 3000.249       321.0852 332.9827 15.87603 317.0284 17.33514 15.95432       23.50650 
1 1 1 19  13 22 o 374.5690 12.27043 4151.751       269.1880 3869.326       413.8222 4358.916       354.4217 359.0140 19.72989 382.6717 15.82638 -23.65771      25.29314 
1 1 1 19  13 23 f 65.62374 28.06012 8.491473       191.6976 -81.02139      323.7940 56.79805       237.8643 78.27221 34.87516 76.29139 31.86494 1.980820       47.24036 
1 1 1 19  13 24 o 136.8048 25.17484 587.0256       194.5442 249.0819       327.6981 770.9565       241.7570 101.0077 39.00845 156.4658 27.34030 -55.45803      47.63560 
1 1 1 19  13 25 o 169.3267 18.93290 871.2921       184.8008 746.5677       306.3606 942.6342       231.7020 150.5524 35.31163 174.7465 23.17959 -24.19403      42.23985 
1 1 1 19  13 26 o 315.3062 11.81424 2948.957       218.0821 2864.093       332.2653 3013.185       289.0582 308.2063 18.46670 317.3997 15.57602 -9.193481      24.15847 
1 1 1 19  13 27 o 175.5187 17.69638 934.3547       179.6777 1123.652       299.8683 828.3235       224.4267 188.3400 27.99837 162.8060 24.24295 25.53400       37.03551 
1 1 1 19  13 28 o 94.31792 28.11243 284.7609       167.1609 357.6040       294.6576 250.1919       202.9865 107.0364 37.73601 90.99615 31.36906 16.04024       49.07163 
1 1 1 19  13 29 o 208.3884 14.15967 1305.087       172.0244 1196.269       300.7237 1358.014       209.7272 193.3032 27.28424 211.4529 17.05645 -18.14966      32.17689 
1 1 1 19  13 30 o 46.21543 21.37719 -96.71263      136.5724 -7.445694      265.9928 -128.6704      159.1524 72.81328 32.06591 48.63895 22.69410 24.17433       39.28415 
1 1 1 19  13 31 o 53.02269 23.04684 -3.652072      133.5024 453.9362       245.6810 -195.3835      159.0306 113.7503 34.12319 44.62998 21.36393 69.12032       40.25928 
1 1 1 19  13 32 o 126.0832 19.71593 503.3147       141.0171 461.0167       241.0061 525.3348       173.8918 113.8794 33.70913 126.5979 24.30424 -12.71845      41.55721 
1 1 1 19  13 33 o 122.5981 20.52999 481.2904       142.3980 168.5206       246.9175 637.1501       174.3036 82.16521 33.17978 140.7125 21.82815 -58.54733      39.71606 
1 1 1 19  13 34 o 59.39897 24.78331 49.84866       143.6634 208.6843       251.1003 -27.44594      175.1652 85.29575 33.78882 57.40466 25.60941 27.89108       42.39724 
1 1 1 19  13 35 o 105.7016 22.61908 371.7708       135.9825 505.8728       251.6812 316.4846       161.6002 115.8445 34.48685 95.29512 27.43472 20.54940       44.06821 
1 1 1 19  13 36 o 77.35040 25.56833 199.3147       134.8392 10.71620       258.6559 269.6952       158.0081 69.75233 31.11876 88.02332 27.54972 -18.27099      41.56157 
1 1 1 19  13 37 o 54.38335 23.48281 18.44190       136.7633 40.80944       262.9206 10.14475       160.1326 71.49718 31.66521 57.22116 25.04922 14.27602       40.37511 
1 1 1 19  13 38 o 59.80101 24.69052 68.69476       140.4977 -41.19718      268.8370 109.9868       164.7932 66.72823 30.54515 66.94134 27.07954 -0.2131119     40.82043 
1 1 1 19  13 39 o 95.90908 25.04859 324.3783       142.4029 766.8655       266.8376 148.1733       168.3859 141.3883 32.81387 71.03308 27.81252 70.35521       43.01495 
1 1 1 19  13 40 o 67.81174 26.15984 136.3870       147.2596 221.1340       256.3362 94.64116       179.9095 82.32831 33.59926 66.20521 27.68671 16.12310       43.53693 
1 1 1 19  13 41 o 45.30397 21.35770 -114.8885      147.3287 -451.9158      266.1204 34.05850       176.9138 49.60452 24.55721 60.33188 26.37191 -10.72736      36.03518 
1 1 1 19  13 42 o 58.99173 24.49580 70.61333       139.3833 227.2243       265.3787 10.95245       163.7947 82.13198 33.92423 56.59467 25.03259 25.53732       42.16022 
1 1 1 19  14 0  o 323.1570 11.95045 3082.392       226.0995 3034.514       276.5153 3178.983       392.7512 320.0835 14.76990 326.1085 20.64140 -6.024994      25.38143 
1 1 1 19  14 1  o 199.2480 13.59229 1177.349       157.8806 1142.492       185.3386 1269.541       301.4214 195.7809 16.28897 204.1182 25.75116 -8.337234      30.47053 
1 1 1 19  14 2  o 474.1269 13.41341 6640.822       372.6040 7302.574       529.9009 5993.647       524.0315 495.6687 18.25978 448.3873 19.97770 47.28140       27.06525 
1 1 1 19  14 3  o 243.8613 12.69011 1758.965       180.8681 1778.461       219.7234 1717.990       318.5390 244.7216 15.38712 238.6531 23.04488 6.068481       27.70975 
1 1 1 19  14 4  o 254.0962 22.09781 1941.887       326.0330 0.000000       0.000000 1941.887       326.0330 ?        ?        254.0962 22.09781 0.000000       22.09781 
1 1 1 19  14 5  o 204.2833 14.23792 1239.097       169.5129 1069.118       201.3508 1652.755       314.1063 188.8563 18.41261 233.9247 23.20088 -45.06837      29.61933 
1 1 1 19  14 6  o 247.8167 17.06046 1829.760       246.4414 1829.760       246.4414 0.000000       0.000000 247.8167 17.06046 ?        ?        0.000000       17.06046 
1 1 1 19  14 7  o 93.77641 27.79595 270.3863       163.7792 270.3863       163.7792 0.000000       0.000000 93.77641 27.79595 ?        ?        0.000000       27.79595 
1 1 1 19  14 8  o 78.60261 27.93555 164.3073       161.7513 164.3073       161.7513 0.000000       0.000000 78.60261 27.93555 ?        ?        0.000000       27.93555 
1 1 1 19  14 9  o 133.1648 24.10687 548.1287       181.3405 548.1287       181.3405 0.000000       0.000000 133.1648 24.10687 ?        ?        0.000000       24.10687 
1 1 1 19  14 10 o 355.3689 21.44712 3790.382       444.9107 3790.382       444.9107 0.000000       0.000000 355.3689 21.44712 ?        ?        0.000000       21.44712 
1 1 1 19  14 11 o 288.0408 15.08187 2463.976       253.8891 2463.976       253.8891 0.000000       0.000000 288.0408 15.08187 ?        ?        0.000000       15.08187 
1 1 1 19  14 12 o 600.2888 19.28580 10754.77       678.0855 10754.77       678.0855 0.000000       0.000000 600.2888 19.28580 ?        ?        0.000000       19.28580 
1 1 1 19  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  14 14 o 216.1638 18.88558 1402.291       237.0199 1402.291       237.0199 0.000000       0.000000 216.1638 18.88558 ?        ?        0.000000       18.88558 
1 1 1 19  14 15 o 373.0135 14.16022 4122.437       309.2117 4122.437       309.2117 0.000000       0.000000 373.0135 14.16022 ?        ?        0.000000       14.16022 
1 1 1 19  14 16 o 81.97263 30.53510 162.8397       196.4746 -61.41459      243.7817 578.4836       331.8879 69.01519 30.53212 134.3099 39.50565 -65.29475      49.92902 
1 1 1 19  14 17 o 334.5584 12.35149 3308.602       241.9333 3585.113       314.5298 2907.965       378.6009 347.4994 15.47204 311.2885 20.85843 36.21088       25.97033 
1 1 1 19  14 18 o 397.6934 11.07515 4666.892       258.0628 4766.438       345.4823 4541.242       388.1434 400.9658 14.71653 390.6591 16.98175 10.30676       22.47123 
1 1 1 19  14 19 o 44.90965 21.89504 -331.8787      187.0759 -565.5419      255.6743 -62.63061      274.4532 48.81219 24.14791 73.34669 32.42461 -24.53450      40.42867 
1 1 1 19  14 20 o 199.9938 16.29373 1195.779       189.4573 1311.012       265.7388 1076.660       270.1826 207.8556 22.13964 187.1687 25.25755 20.68687       33.58731 
1 1 1 19  14 21 o 259.0956 13.63060 1993.183       206.3932 1819.882       290.2646 2170.405       293.5308 245.6677 20.32812 268.9598 18.72564 -23.29214      27.63842 
1 1 1 19  14 22 o 164.2971 20.20388 821.2170       190.5826 748.4939       276.4345 887.0975       263.1081 152.8977 31.86260 168.3988 27.59561 -15.50116      42.15143 
1 1 1 19  14 23 o 86.87465 30.10398 216.9178       187.0403 -41.25868      309.7024 365.1510       234.6707 78.59035 34.60558 107.5133 33.56303 -28.92296      48.20812 
1 1 1 19  14 24 f 203.2462 16.30776 1240.482       192.7570 1029.198       329.6678 1350.237       237.6052 178.7843 32.64349 211.0995 19.40901 -32.31512      37.97771 
1 1 1 19  14 25 o 250.1348 12.72565 1860.564       186.0696 2475.385       333.6426 1583.022       224.1671 285.8336 20.02974 229.4744 16.77246 56.35921       26.12481 
1 1 1 19  14 26 o 218.8460 14.74604 1433.817       188.1576 1384.887       313.1599 1461.460       235.3816 210.6735 25.88953 219.7051 18.43754 -9.031586      31.78381 
1 1 1 19  14 27 o 397.9968 10.78645 4694.023       251.5405 4670.467       396.6326 4709.871       325.3337 393.8313 17.21385 397.2590 13.98565 -3.427704      22.17916 
1 1 1 19  14 28 o 41.75357 20.27824 -253.1562      156.2995 -465.5628      296.1162 -171.1237      184.0227 56.83905 27.67433 51.19142 24.05107 5.647629       36.66500 
1 1 1 19  14 29 o 189.5211 15.04044 1086.251       165.8039 1088.536       310.1051 1085.337       196.2035 181.9177 30.11885 188.2279 17.99218 -6.310165      35.08367 
1 1 1 19  14 30 o 36.72189 18.09632 -280.4432      138.7980 -59.12128      272.5594 -357.9322      161.2758 70.08849 31.55301 38.28102 18.98060 31.80746       36.82195 
1 1 1 19  14 31 o 57.96253 24.14921 41.66193       136.1191 -290.7290      240.9532 197.4593       164.9636 54.04073 25.98074 80.08953 28.23528 -26.04880      38.36965 
1 1 1 19  14 32 o 258.6086 10.79752 2001.013       163.4033 2203.249       281.2242 1897.936       200.7725 266.6922 18.08710 250.3149 13.72882 16.37726       22.70735 
1 1 1 19  14 33 o 133.8825 18.24407 563.8120       139.5273 565.8636       251.1568 562.8962       167.8038 124.9792 33.56051 131.5315 22.56522 -6.552277      40.44128 
1 1 1 19  14 34 o 106.5125 34.53400 419.0418       246.5147 419.0418       246.5147 0.000000       0.000000 106.5125 34.53400 ?        ?        0.000000       34.53400 
1 1 1 19  14 35 o 87.09209 25.90309 260.4907       142.0385 -96.26160      259.6098 412.9072       169.6890 63.99040 29.55460 108.9797 26.75101 -44.98933      39.86340 
1 1 1 19  14 36 o 95.53428 24.97134 314.9434       141.4490 396.3753       265.0831 282.5272       167.2497 101.7406 35.79866 89.47811 28.38959 12.26247       45.68930 
1 1 1 19  14 37 o 219.2081 12.24220 1462.943       156.7610 1455.438       291.4588 1465.998       185.9471 207.8637 24.37049 217.7268 14.64743 -9.863113      28.43357 
1 1 1 19  14 38 o 48.56393 22.16935 -53.03990      140.3454 176.2722       265.8717 -141.6189      165.2433 80.11260 33.59057 47.27113 22.38503 32.84148       40.36602 
1 1 1 19  14 39 o 57.17033 24.28226 44.92720       141.8714 67.54057       250.6443 34.26671       172.0932 70.82929 31.16200 60.18183 26.16258 10.64746       40.68846 
1 1 1 19  14 40 o 56.29981 24.20307 35.57651       144.0466 304.5583       259.1216 -84.72237      173.2898 89.35640 34.63904 51.50747 23.91329 37.84893       42.09167 
1 1 1 19  14 41 o 107.9101 21.71827 396.5728       132.6845 666.3192       278.6864 317.5043       150.8828 126.1182 35.93890 93.36488 26.38997 32.75328       44.58738 
1 1 1 19  15 0  o 245.9520 12.24107 1788.581       176.0164 1785.399       209.9201 1796.117       323.0172 245.2961 14.65880 244.0171 22.83649 1.278946       27.13643 
1 1 1 19  15 1  o 269.0627 11.99095 2139.002       188.7405 2132.841       228.1245 2152.371       336.0314 268.1968 14.55791 267.6718 21.58857 0.5249939      26.03841 
1 1 1 19  15 2  o 80.27013 24.36458 194.8300       124.7272 244.4300       137.2938 -39.51331      298.4257 88.98696 25.18074 78.38151 34.25677 10.60545       42.51583 
1 1 1 19  15 3  o 187.8255 14.07801 1048.364       153.9483 1088.245       180.9581 943.8724       292.9071 190.9599 16.31403 174.1826 29.73990 16.77725       33.92064 
1 1 1 19  15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  15 5  o 373.8288 12.68680 4129.863       277.7445 4471.809       364.5553 3656.782       428.7983 388.1261 16.05012 349.3573 21.02555 38.76880       26.45146 
1 1 1 19  15 6  o 258.8821 15.36687 1991.652       232.2628 1991.652       232.2628 0.000000       0.000000 258.8821 15.36687 ?        ?        0.000000       15.36687 
1 1 1 19  15 7  o 195.6827 17.50260 1146.367       198.7468 1146.367       198.7468 0.000000       0.000000 195.6827 17.50260 ?        ?        0.000000       17.50260 
1 1 1 19  15 8  o 80.94118 28.30115 179.6882       165.5025 179.6882       165.5025 0.000000       0.000000 80.94118 28.30115 ?        ?        0.000000       28.30115 
1 1 1 19  15 9  o 241.7607 17.52209 1745.946       246.7543 1745.946       246.7543 0.000000       0.000000 241.7607 17.52209 ?        ?        0.000000       17.52209 
1 1 1 19  15 10 f 181.8810 21.78100 1003.917       227.7207 1003.917       227.7207 0.000000       0.000000 181.8810 21.78100 ?        ?        0.000000       21.78100 
1 1 1 19  15 11 o 466.5031 18.28567 6488.136       499.3143 6488.136       499.3143 0.000000       0.000000 466.5031 18.28567 ?        ?        0.000000       18.28567 
1 1 1 19  15 12 o 316.4674 20.65509 3005.862       381.2650 3005.862       381.2650 0.000000       0.000000 316.4674 20.65509 ?        ?        0.000000       20.65509 
1 1 1 19  15 13 o 356.5088 19.44318 3801.476       404.9869 3801.476       404.9869 0.000000       0.000000 356.5088 19.44318 ?        ?        0.000000       19.44318 
1 1 1 19  15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  15 15 o 383.1302 13.90546 4346.922       311.9330 4346.922       311.9330 0.000000       0.000000 383.1302 13.90546 ?        ?        0.000000       13.90546 
1 1 1 19  15 16 o 351.1806 12.15563 3644.314       249.9788 3517.747       306.7981 3894.320       431.1887 344.2688 15.23285 360.5502 20.47576 -16.28146      25.52051 
1 1 1 19  15 17 o 227.4628 16.73775 1544.254       221.7204 1363.875       274.4278 1883.344       376.2639 212.1912 22.38926 248.3692 26.22678 -36.17796      34.48366 
1 1 1 19  15 18 o 168.3944 20.09540 858.3284       194.5488 716.0081       251.8959 1068.728       306.2738 150.8974 29.52129 185.3267 29.13946 -34.42929      41.48029 
1 1 1 19  15 19 o 209.3383 16.09714 1308.707       196.1112 1216.801       257.7841 1434.977       302.1575 200.1236 22.34462 216.9131 24.16148 -16.78946      32.90987 
1 1 1 19  15 20 o 57.05627 25.87590 -97.09413      187.3090 -61.72058      268.2630 -130.7453      261.6507 72.29028 32.00244 67.21862 30.52345 5.071663       44.22485 
1 1 1 19  15 21 o 69.43382 28.64695 55.13813       188.9487 -459.8679      271.9518 535.7542       262.7151 54.38695 26.48954 128.6855 34.22056 -74.29851      43.27520 
1 1 1 19  15 22 o 300.6677 11.90510 2678.262       209.5130 2435.946       291.1120 2938.642       301.7676 285.0206 17.49976 313.5296 16.46907 -28.50897      24.03065 
1 1 1 19  15 23 o 175.3913 17.82914 929.8944       180.8493 880.3008       277.8665 966.3419       238.2083 166.4248 29.55114 176.9360 23.53912 -10.51125      37.78042 
1 1 1 19  15 24 o 146.4168 20.18949 657.6765       168.7573 658.9289       268.7605 656.8613       216.8319 142.0367 32.90928 144.1198 26.63450 -2.083130      42.33696 
1 1 1 19  15 25 o 80.45351 28.66111 180.0322       170.3567 -163.3653      323.1004 312.2540       200.4890 73.18272 33.49465 99.38317 31.02213 -26.20045      45.65374 
1 1 1 19  15 26 o 358.6864 10.82988 3812.187       227.5577 4324.939       401.1031 3568.820       276.3330 378.6022 18.11692 345.9827 13.64522 32.61954       22.68071 
1 1 1 19  15 27 o 66.60115 26.87957 75.16400       161.9490 -141.6464      302.0760 162.6168       191.8505 70.87226 32.41810 79.77870 30.07863 -8.906441      44.22282 
1 1 1 19  15 28 f 302.6683 11.23417 2725.584       199.0693 2672.975       355.6999 2749.576       240.2113 294.7042 20.71197 303.0107 13.55143 -8.306519      24.75130 
1 1 1 19  15 29 o 99.84886 24.60490 325.4658       143.1384 428.7497       274.2043 286.7790       167.8183 111.5618 36.43975 93.42734 28.24137 18.13450       46.10239 
1 1 1 19  15 30 o 56.22052 23.67000 29.53030       132.8689 -28.58614      266.1965 48.81359       153.3357 70.75634 31.56773 61.49567 25.62687 9.260670       40.66027 
1 1 1 19  15 31 o 141.0941 16.36453 614.8715       132.9053 442.9991       249.8394 682.7045       156.9561 111.3596 34.61001 147.7599 18.51775 -36.40037      39.25251 
1 1 1 19  15 32 o 58.69233 24.13603 54.96861       133.5494 102.1549       239.3443 33.63571       160.9312 75.92587 31.85527 60.62216 25.80926 15.30371       40.99849 
1 1 1 19  15 33 o 92.93774 25.02596 291.7877       139.4229 128.3914       263.9695 355.0073       164.1944 79.56796 33.42307 101.6254 27.06671 -22.05746      43.00824 
1 1 1 19  15 34 o 55.60184 24.03385 15.28965       143.5506 -165.8313      257.8638 96.62685       172.8028 60.54301 28.45277 67.48257 27.56917 -6.939552      39.61843 
1 1 1 19  15 35 o 113.5164 22.19382 427.6676       142.4575 235.4820       260.8715 509.3313       170.0517 86.61760 34.39903 122.6774 24.49377 -36.05977      42.22840 
1 1 1 19  15 36 o 88.23236 24.81004 268.8766       133.7159 664.1776       267.8895 137.7088       154.3141 131.4989 34.36198 69.57898 26.79554 61.91991       43.57461 
1 1 1 19  15 37 o 133.2713 18.09787 569.9318       137.8021 226.9258       262.1174 700.9454       161.9956 84.33023 34.13837 147.2135 19.22177 -62.88332      39.17786 
1 1 1 19  15 38 o 33.17305 16.54721 -308.2828      130.2238 -609.2195      256.0791 -203.3149      151.2394 44.75171 22.45164 41.55085 20.12495 3.200859       30.15111 
1 1 1 19  15 39 o 74.42837 25.72382 188.7559       136.5336 -17.01935      257.6407 269.1111       160.9996 66.11446 30.12580 86.07251 27.90872 -19.95805      41.06653 
1 1 1 19  15 40 o 48.85265 22.23047 -42.51723      139.7006 -125.8650      274.7471 -13.45444      162.2389 62.03540 29.22098 54.63883 24.49118 7.396576       38.12720 
1 1 1 19  15 41 o 76.15764 26.53334 203.2023       145.3980 -78.37447      277.7310 309.5120       170.6524 64.28922 29.99056 90.76163 28.66196 -26.47241      41.48423 
1 1 1 19  16 0  o 309.1620 11.82470 2823.381       214.0058 2816.519       261.9170 2837.166       371.1952 308.2142 14.53065 307.6266 20.69485 0.5876770      25.28669 
1 1 1 19  16 1  o 276.0463 11.90944 2252.033       192.3537 2316.844       232.6128 2111.873       342.0780 279.5359 14.23567 264.7343 22.23790 14.80161       26.40413 
1 1 1 19  16 2  o 288.8518 21.87206 2509.828       367.7694 0.000000       0.000000 2509.828       367.7694 ?        ?        288.8518 21.87206 0.000000       21.87206 
1 1 1 19  16 3  o 332.6405 12.23498 3269.908       238.2803 3500.708       297.6158 2857.792       397.6920 343.5883 14.80428 308.1972 22.15000 35.39105       26.64187 
1 1 1 19  16 4  o 151.1583 16.30861 685.3260       142.2914 703.4991       160.4834 618.5245       307.6866 152.7448 18.27725 138.6819 37.10417 14.06287       41.36154 
1 1 1 19  16 5  o 150.8148 16.23874 682.1900       141.3698 760.2188       158.9254 386.3862       309.4338 159.0679 17.31482 113.9988 38.74635 45.06908       42.43917 
1 1 1 19  16 6  o 306.6411 10.64801 2774.447       191.2008 2830.403       221.1256 2608.659       380.6205 309.4221 12.20930 294.2729 22.21834 15.14917       25.35195 
1 1 1 19  16 7  f 299.3741 22.98120 2704.817       400.4092 2704.817       400.4092 0.000000       0.000000 299.3741 22.98120 ?        ?        0.000000       22.98120 
1 1 1 19  16 8  o 129.8539 20.20062 514.8159       148.8399 514.8159       148.8399 0.000000       0.000000 129.8539 20.20062 ?        ?        0.000000       20.20062 
1 1 1 19  16 9  o 70.01975 26.80073 105.3637       153.7272 105.3637       153.7272 0.000000       0.000000 70.01975 26.80073 ?        ?        0.000000       26.80073 
1 1 1 19  16 10 o 203.8949 19.04550 1249.542       225.1104 1249.542       225.1104 0.000000       0.000000 203.8949 19.04550 ?        ?        0.000000       19.04550 
1 1 1 19  16 11 o 74.31472 28.88204 111.6318       180.5016 111.6318       180.5016 0.000000       0.000000 74.31472 28.88204 ?        ?        0.000000       28.88204 
1 1 1 19  16 12 o 390.8210 13.21371 4519.543       302.4324 4519.543       302.4324 0.000000       0.000000 390.8210 13.21371 ?        ?        0.000000       13.21371 
1 1 1 19  16 13 f 787.9302 21.77588 18607.52       1005.304 18607.52       1005.304 0.000000       0.000000 787.9302 21.77588 ?        ?        0.000000       21.77588 
1 1 1 19  16 14 o 76.87984 31.51587 74.55500       226.7847 74.55500       226.7847 0.000000       0.000000 76.87984 31.51587 ?        ?        0.000000       31.51587 
1 1 1 19  16 15 o 281.4209 16.27554 2357.246       267.4764 2357.246       267.4764 0.000000       0.000000 281.4209 16.27554 ?        ?        0.000000       16.27554 
1 1 1 19  16 16 o 293.2729 13.53636 2548.285       232.1942 2335.380       275.5857 3069.252       431.0900 279.9239 16.86495 318.8789 23.21001 -38.95499      28.69027 
1 1 1 19  16 17 o 354.4749 11.65818 3711.876       242.0336 3625.622       299.2978 3874.876       411.4394 349.5894 14.63039 359.8104 19.57130 -10.22107      24.43530 
1 1 1 19  16 18 o 343.1415 11.14797 3477.399       224.0489 3446.715       286.4453 3525.755       359.5914 340.8276 14.36253 343.6142 17.90559 -2.786591      22.95414 
1 1 1 19  16 19 o 315.0172 11.46712 2933.815       211.5017 3044.362       282.4839 2792.786       319.0626 319.9610 15.09637 305.5630 17.88245 14.39807       23.40262 
1 1 1 19  16 20 o 302.7878 12.11918 2714.693       214.7750 2681.870       298.4289 2749.961       309.3403 299.5326 17.05869 303.1829 17.47127 -3.650299      24.41811 
1 1 1 19  16 21 o 238.2678 14.80667 1693.354       205.8836 1737.499       292.5784 1650.052       289.7687 239.3369 21.05857 233.0514 21.44079 6.285492       30.05280 
1 1 1 19  16 22 o 78.10999 29.32509 149.2615       181.9362 44.91319       274.6512 230.8539       242.8643 79.75965 33.82748 92.62341 34.04921 -12.86376      47.99632 
1 1 1 19  16 23 o 258.6901 12.86875 1989.797       194.6261 1908.205       284.7689 2061.317       266.6131 251.0887 19.49068 261.8116 17.46354 -10.72296      26.16986 
1 1 1 19  16 24 o 46.77725 22.13482 -176.7305      161.0047 -5.115584      275.1268 -266.1115      198.5537 76.00316 33.05981 49.43214 23.71796 26.57102       40.68774 
1 1 1 19  16 25 o 221.4822 13.39256 1464.032       173.1485 1265.319       284.9621 1580.337       218.0085 201.6655 24.60246 229.1899 16.32602 -27.52440      29.52660 
1 1 1 19  16 26 o 134.2945 21.56659 562.4598       164.1108 539.5737       328.7670 570.0549       189.3943 126.0578 39.77932 133.9259 25.03319 -7.868156      47.00059 
1 1 1 19  16 27 o 44.26651 20.94578 -155.0282      144.1403 -711.2914      311.4472 -3.405188      162.6024 52.06878 25.91082 58.88526 25.51592 -6.816475      36.36526 
1 1 1 19  16 28 o 60.84237 24.34571 68.46437       131.6492 119.9697       280.7427 53.94595       149.0535 83.46417 34.72028 61.85427 25.47394 21.60990       43.06297 
1 1 1 19  16 29 o 208.0819 12.49350 1300.692       151.7624 1726.783       297.9345 1151.396       176.3570 234.3705 21.93007 194.4315 15.59663 39.93901       26.91064 
1 1 1 19  16 30 o 130.6954 17.66286 532.1590       131.9232 522.5087       266.3351 535.2964       151.8617 120.4685 35.37778 129.7511 20.64781 -9.282593      40.96242 
1 1 1 19  16 31 o 196.8565 11.89359 1166.386       136.6729 1564.163       248.6996 994.2776       163.5898 223.7272 19.13783 179.9945 15.65245 43.73276       24.72359 
1 1 1 19  16 32 o 57.61341 23.72153 52.44630       129.2096 277.6046       265.5039 -17.42801      147.9060 92.68767 35.28356 53.84234 23.80264 38.84533       42.56166 
1 1 1 19  16 33 o 68.21063 24.54005 139.1954       125.2141 449.0079       265.1091 50.23878       142.0576 109.2526 35.83894 59.00373 24.63337 50.24891       43.48830 
1 1 1 19  16 34 o 115.6147 21.32805 438.8922       139.2890 503.4432       257.6273 412.2290       165.5757 114.6729 35.05865 109.1715 26.19566 5.501366       43.76439 
1 1 1 19  16 35 o 151.2859 15.89229 714.8839       138.9024 695.8788       260.6378 722.4228       164.1567 136.4480 32.94620 150.1411 19.07250 -13.69310      38.06852 
1 1 1 19  16 36 o 51.87706 23.02680 -13.04551      139.8017 -166.2985      256.8467 51.47167       166.6507 59.45226 28.07992 61.55491 26.23700 -2.102650      38.42997 
1 1 1 19  16 37 o 80.92804 32.04345 210.5872       225.7296 236.1479       249.8713 97.15446       526.3798 84.25846 33.59912 88.91396 41.41438 -4.655495      53.32965 
1 1 1 19  16 38 o 52.95105 22.92014 18.85282       130.9203 288.0778       255.2479 -77.26090      152.5096 88.53850 34.36338 48.82681 22.58686 39.71169       41.12186 
1 1 1 19  16 39 o 50.81391 22.27125 5.466266       126.9248 68.24500       285.4110 -10.00987      141.7085 73.08272 32.64087 51.86140 23.09184 21.22132       39.98323 
1 1 1 19  16 40 o 137.4451 17.33745 608.4058       136.6510 1204.867       310.7718 465.4376       152.1493 179.2507 30.66313 116.0260 23.17123 63.22470       38.43350 
1 1 1 19  16 41 o 39.97063 19.44394 -205.9268      145.2857 -0.8912193     267.0243 -292.1498      173.1600 66.89622 30.55380 41.30512 20.32726 25.59109       36.69785 
1 1 1 19  17 0  o 328.1196 12.09747 3182.074       232.3984 3390.146       291.1424 2816.677       385.8170 338.0616 14.71978 306.0061 21.63767 32.05557       26.16984 
1 1 1 19  17 1  f 385.0434 12.26600 4381.266       276.6362 4340.099       348.2614 4451.655       455.3831 382.3315 15.56408 385.6029 20.20712 -3.271393      25.50624 
1 1 1 19  17 2  o 205.2367 12.57230 1248.536       150.6022 1207.068       172.0114 1384.707       311.7073 201.3963 14.66361 212.8349 25.47764 -11.43857      29.39611 
1 1 1 19  17 3  o 116.8496 18.82043 416.5309       124.5955 414.2673       136.7934 427.5520       301.8423 116.0535 20.86516 117.7946 38.21505 -1.741074      43.54015 
1 1 1 19  17 4  o 179.7699 13.51472 960.7516       141.4436 935.3248       160.9778 1046.861       296.2409 176.9441 15.67439 183.7059 28.41220 -6.761765      32.44903 
1 1 1 19  17 5  o 200.6783 12.13733 1193.110       142.1801 1316.438       159.9959 730.0106       310.0381 210.6751 13.01277 150.6672 35.64724 60.00793       37.94809 
1 1 1 19  17 6  o 242.4257 12.44199 1740.133       176.3046 1852.889       207.7903 1450.322       333.1296 249.8102 14.24189 217.3904 26.68830 32.41989       30.25057 
1 1 1 19  17 7  o 65.60632 24.82575 95.97073       130.9666 95.97073       130.9666 0.000000       0.000000 65.60632 24.82575 ?        ?        0.000000       24.82575 
1 1 1 19  17 8  o 71.04741 25.92954 126.6367       140.4517 126.6367       140.4517 0.000000       0.000000 71.04741 25.92954 ?        ?        0.000000       25.92954 
1 1 1 19  17 9  o 271.0896 12.93029 2176.501       204.9829 2176.501       204.9829 0.000000       0.000000 271.0896 12.93029 ?        ?        0.000000       12.93029 
1 1 1 19  17 10 o 258.4420 14.06941 1982.104       212.4459 1982.104       212.4459 0.000000       0.000000 258.4420 14.06941 ?        ?        0.000000       14.06941 
1 1 1 19  17 11 o 289.0966 13.58674 2476.744       229.7164 2476.744       229.7164 0.000000       0.000000 289.0966 13.58674 ?        ?        0.000000       13.58674 
1 1 1 19  17 12 o 194.8449 18.21547 1139.295       205.7391 1139.295       205.7391 0.000000       0.000000 194.8449 18.21547 ?        ?        0.000000       18.21547 
1 1 1 19  17 13 o 53.71953 25.28764 -211.7348      205.1698 -211.7348      205.1698 0.000000       0.000000 53.71953 25.28764 ?        ?        0.000000       25.28764 
1 1 1 19  17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  17 15 o 363.3246 14.22991 3912.498       302.6264 3912.498       302.6264 0.000000       0.000000 363.3246 14.22991 ?        ?        0.000000       14.22991 
1 1 1 19  17 16 o 298.2697 15.62623 2645.763       272.3933 2645.763       272.3933 0.000000       0.000000 298.2697 15.62623 ?        ?        0.000000       15.62623 
1 1 1 19  17 17 o 171.6465 19.26389 890.1686       190.5803 625.0330       233.5918 1418.003       329.5888 140.6696 29.26844 214.6562 26.76008 -73.98659      39.65783 
1 1 1 19  17 18 o 172.0687 18.41292 893.1873       182.9272 927.8310       238.3586 843.5452       285.3271 173.7677 24.03157 163.1956 30.94355 10.57213       39.17932 
1 1 1 19  17 19 o 404.7178 10.22450 4834.254       242.4917 5306.720       336.4672 4323.629       349.7908 423.0173 13.57992 381.0617 15.68527 41.95566       20.74710 
1 1 1 19  17 20 o 182.9502 17.34895 1007.968       183.9228 1101.924       258.6305 911.8365       261.6073 189.2630 23.82730 170.7647 27.01979 18.49829       36.02512 
1 1 1 19  17 21 o 65.61943 27.33399 40.95143       174.3397 -58.74972      239.2115 153.9068       254.6159 67.80347 30.10713 86.27364 34.07224 -18.47018      45.46819 
1 1 1 19  17 22 o 482.7448 10.32161 6884.370       292.2238 6547.075       380.0212 7372.384       457.1081 469.2064 13.82507 496.9286 15.70435 -27.72217      20.92270 
1 1 1 19  17 23 o 123.3490 23.98685 479.0120       167.2740 532.5117       255.0515 438.6309       221.5854 127.2680 33.65963 116.1130 31.67008 11.15501       46.21650 
1 1 1 19  17 24 o 48.86923 22.69290 -124.6941      156.1714 84.96632       259.7586 -243.3784      195.4377 80.43713 33.42396 49.85072 23.81421 30.58640       41.03996 
1 1 1 19  17 25 o 248.4330 11.86622 1835.805       172.3911 2101.529       290.5974 1691.510       214.1417 263.0404 18.96462 237.2660 15.47359 25.77437       24.47629 
1 1 1 19  17 26 o 276.7065 10.81241 2273.748       175.1281 2030.859       258.8017 2478.916       237.8586 259.0244 17.13259 287.6753 14.14161 -28.65088      22.21510 
1 1 1 19  17 27 o 41.85041 19.76696 -133.0569      127.2978 26.19137       227.1231 -205.9954      153.7100 70.56824 30.36484 43.32050 20.80717 27.24774       36.80980 
1 1 1 19  17 28 o 229.1380 11.78327 1571.127       157.8165 1749.912       311.6247 1509.457       183.0223 235.5979 22.83945 223.6529 14.02395 11.94499       26.80134 
1 1 1 19  17 29 o 107.9006 21.65434 375.3452       132.2629 404.3110       267.5179 365.9742       152.1610 107.3571 36.02745 105.1435 25.03668 2.213608       43.87268 
1 1 1 19  17 30 o 68.90011 24.74348 138.2924       127.2334 -8.574378      267.2018 181.3569       144.6897 71.43721 31.76449 76.38736 26.47699 -4.950150      41.35232 
1 1 1 19  17 31 o 161.8413 14.72710 801.9808       138.2545 711.6577       266.3158 835.3039       161.7597 141.3360 32.76788 164.0368 17.06337 -22.70084      36.94445 
1 1 1 19  17 32 o 59.81538 23.40098 83.43736       119.1228 88.25024       258.7188 82.14253       134.1935 75.98389 32.54662 61.63256 24.60740 14.35132       40.80204 
1 1 1 19  17 33 o 68.34567 24.36054 142.7488       123.0841 24.74039       258.1603 177.4653       140.0233 70.88898 31.38748 74.46564 26.03204 -3.576668      40.77795 
1 1 1 19  17 34 o 139.8542 16.74345 614.9322       134.6057 873.5113       277.0247 535.0141       154.0083 155.3073 31.49307 127.7634 21.30326 27.54386       38.02160 
1 1 1 19  17 35 o 48.20787 21.68133 -33.29277      128.3358 -154.7272      266.8701 3.237813       146.3717 61.38456 28.87860 54.49318 23.89930 6.891376       37.48533 
1 1 1 19  17 36 o 65.84344 25.25066 123.3012       136.6352 579.0822       274.2810 -27.13924      157.5796 119.5223 36.09941 53.50365 24.04718 66.01866       43.37550 
1 1 1 19  17 37 o 85.59081 25.77004 259.8208       139.9317 383.5898       270.8021 214.7348       163.4434 97.80574 35.95433 78.84561 28.07510 18.96013       45.61715 
1 1 1 19  17 38 o 90.58345 24.81565 290.5855       135.7034 529.7068       278.2536 215.9619       155.4425 111.9548 36.71619 78.59689 27.43121 33.35790       45.83176 
1 1 1 19  17 39 o 39.22891 18.95017 -170.8280      131.8935 -130.7665      274.8623 -182.8119      150.3318 61.78681 29.14164 42.13431 20.32339 19.65250       35.52852 
1 1 1 19  17 40 o 60.66026 24.03219 96.48459       127.0364 -58.31499      279.8952 136.6465       142.5666 65.43095 30.38227 67.06754 25.77431 -1.636581      39.84216 
1 1 1 19  18 0  o 288.8425 11.94147 2466.946       201.8513 2604.933       240.5842 2138.871       370.9658 296.3986 13.87868 265.4894 24.08706 30.90921       27.79936 
1 1 1 19  18 1  o 122.0593 16.66015 450.3789       116.1519 506.7610       125.3202 106.7878       309.3650 129.5480 16.89681 89.31160 36.73210 40.23636       40.43203 
1 1 1 19  18 2  f 234.0699 11.71563 1620.926       160.3168 1656.142       183.4158 1506.930       329.9963 236.3091 13.28798 221.8908 25.84126 14.41833       29.05755 
1 1 1 19  18 3  o 380.9510 12.07556 4288.973       269.4500 4456.884       351.2061 4048.722       420.1017 387.3780 15.49006 367.7958 19.54607 19.58224       24.93974 
1 1 1 19  18 4  o 198.5426 12.78681 1169.497       148.0987 1245.001       169.6060 927.1356       303.8698 204.6019 14.22307 171.5510 31.35772 33.05084       34.43258 
1 1 1 19  18 5  o 207.7022 12.34164 1278.448       149.6586 1265.813       165.4322 1335.388       351.1875 206.4098 13.74423 207.3188 29.73343 -0.9090118     32.75639 
1 1 1 19  18 6  o 189.7619 12.76652 1068.689       141.2529 1113.989       157.6924 884.7755       317.7370 193.5323 13.98773 166.7066 33.65950 26.82571       36.45022 
1 1 1 19  18 7  o 236.3905 13.01207 1656.472       179.7001 1656.472       179.7001 0.000000       0.000000 236.3905 13.01207 ?        ?        0.000000       13.01207 
1 1 1 19  18 8  o 204.0282 14.31185 1238.142       170.1662 1238.142       170.1662 0.000000       0.000000 204.0282 14.31185 ?        ?        0.000000       14.31185 
1 1 1 19  18 9  f 311.5649 13.01460 2873.641       237.2862 2873.641       237.2862 0.000000       0.000000 311.5649 13.01460 ?        ?        0.000000       13.01460 
1 1 1 19  18 10 o 380.6353 20.63169 4343.001       458.8470 4343.001       458.8470 0.000000       0.000000 380.6353 20.63169 ?        ?        0.000000       20.63169 
1 1 1 19  18 11 o 343.1735 22.54821 3546.969       451.2983 3546.969       451.2983 0.000000       0.000000 343.1735 22.54821 ?        ?        0.000000       22.54821 
1 1 1 19  18 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  18 13 o 342.1832 22.54497 3526.895       449.9171 3526.895       449.9171 0.000000       0.000000 342.1832 22.54497 ?        ?        0.000000       22.54497 
1 1 1 19  18 14 o 113.5729 30.56467 408.0886       208.0396 408.0886       208.0396 0.000000       0.000000 113.5729 30.56467 ?        ?        0.000000       30.56467 
1 1 1 19  18 15 o 195.9356 19.88875 1158.131       225.3816 1158.131       225.3816 0.000000       0.000000 195.9356 19.88875 ?        ?        0.000000       19.88875 
1 1 1 19  18 16 o 100.8245 32.22676 310.6686       215.1927 310.6686       215.1927 0.000000       0.000000 100.8245 32.22676 ?        ?        0.000000       32.22676 
1 1 1 19  18 17 o 80.18131 28.92884 169.7704       174.1527 35.69934       213.7037 434.8447       300.4887 71.42056 30.04117 117.8490 38.12101 -46.42842      48.53538 
1 1 1 19  18 18 o 138.0286 22.12276 587.1752       173.0378 600.1512       227.5375 569.3783       266.4740 137.4550 29.13163 132.5945 34.08218 4.860474       44.83578 
1 1 1 19  18 19 o 347.8393 10.96106 3577.676       223.3260 3642.748       294.0057 3488.919       343.3708 349.9575 14.35532 341.4247 17.20361 8.532776       22.40623 
1 1 1 19  18 20 o 282.2219 12.22129 2362.857       201.8031 2204.098       265.4704 2580.180       310.5989 271.1711 16.77466 292.9378 18.16840 -21.76678      24.72812 
1 1 1 19  18 21 o 302.9939 11.23579 2719.382       199.3127 2480.897       262.3643 3044.841       306.4943 288.0382 15.58926 318.8442 16.44612 -30.80597      22.66054 
1 1 1 19  18 22 o 330.0669 10.51373 3223.671       203.2615 3386.597       284.5390 3053.890       290.4629 336.9855 14.43068 319.5424 15.54593 17.44305       21.21133 
1 1 1 19  18 23 o 181.7219 15.50669 993.1210       163.6860 935.5795       261.4713 1030.205       209.9056 172.2169 26.75607 183.7031 19.79516 -11.48624      33.28267 
1 1 1 19  18 24 o 211.7930 21.19379 1377.453       259.7190 1377.453       259.7190 0.000000       0.000000 211.7930 21.19379 ?        ?        0.000000       21.19379 
1 1 1 19  18 25 o 155.3569 17.16829 735.3955       153.8193 542.8630       243.1023 863.9396       198.6384 127.5377 32.43259 167.1928 20.69966 -39.65512      38.47530 
1 1 1 19  18 26 o 197.2177 13.43578 1167.920       154.4749 980.9615       245.5108 1290.438       198.7466 175.9414 24.45318 206.1190 16.58090 -30.17758      29.54461 
1 1 1 19  18 27 o 98.28347 22.92298 312.6198       129.6938 335.9889       220.4408 300.2485       160.3900 100.3745 32.66505 95.37936 27.29194 4.995094       42.56590 
1 1 1 19  18 28 o 97.08522 22.29814 306.2038       124.2828 433.9066       217.3607 244.1736       151.4894 111.9440 31.68579 86.35697 26.96758 25.58701       41.60817 
1 1 1 19  18 29 o 83.63011 23.76661 229.7720       122.0418 -56.74791      220.0732 357.0153       146.6584 62.58537 28.24793 103.7805 24.49277 -41.19518      37.38772 
1 1 1 19  18 30 o 130.6575 16.53158 530.4122       123.8464 733.1511       265.7755 474.1795       139.9719 144.0487 32.26300 121.7342 20.32138 22.31453       38.12951 
1 1 1 19  18 31 o 56.63004 23.05882 56.43578       120.4011 207.5557       259.2179 14.86457       135.9566 85.73047 34.20990 54.64098 23.50208 31.08949       41.50500 
1 1 1 19  18 32 o 230.9487 10.70307 1602.546       144.5744 1758.102       289.3362 1550.784       166.9042 233.8825 21.32821 226.1156 12.63622 7.766907       24.79045 
1 1 1 19  18 33 o 163.6973 13.31741 819.9315       126.7498 438.4613       241.5228 964.9241       148.9021 107.6480 34.11108 177.0146 14.46917 -69.36656      37.05297 
1 1 1 19  18 34 f 209.1574 11.69349 1325.939       142.8681 1063.995       261.9610 1436.837       170.4485 176.4247 26.10475 216.6080 13.48427 -40.18329      29.38169 
1 1 1 19  18 35 o 113.3844 20.58427 424.3627       131.8399 527.5787       261.1339 389.0526       152.7352 115.0806 35.31786 105.7553 25.01921 9.325279       43.28178 
1 1 1 19  18 36 o 57.67631 24.22980 52.84953       138.7490 -53.78316      262.2672 94.29313       163.5037 65.01862 29.91254 64.90967 26.70078 0.1089554      40.09604 
1 1 1 19  18 37 o 148.5514 17.15792 704.5707       146.7390 490.0964       283.8581 782.7870       171.4204 107.7132 37.09679 155.0845 19.26085 -47.37129      41.79895 
1 1 1 19  18 38 o 54.86907 23.83409 22.97508       142.5888 250.1614       283.9717 -53.61551      164.8814 85.13840 35.12203 52.18458 23.90030 32.95382       42.48272 
1 1 1 19  18 39 o 135.4800 18.42714 598.2213       142.6229 573.0670       280.6105 606.9826       165.6087 115.1482 36.80013 133.9087 21.83945 -18.76049      42.79265 
1 1 1 19  18 40 o 46.38469 21.62728 -85.22272      144.1381 125.3219       274.8495 -165.0933      169.2842 74.90958 32.80425 46.10091 22.06101 28.80866       39.53235 
1 1 1 19  19 0  o 215.5857 12.32711 1377.198       155.2093 1338.138       175.4374 1517.885       332.9507 212.1384 14.18256 222.5783 25.99516 -10.43999      29.61238 
1 1 1 19  19 1  o 363.9651 12.04281 3915.672       256.7082 4073.173       323.3875 3647.341       422.1019 370.4407 14.91568 348.5302 20.74415 21.91055       25.54990 
1 1 1 19  19 2  o 298.0244 11.64860 2625.277       203.2072 2730.907       242.8528 2378.631       371.0974 303.5193 13.67803 280.5132 22.75229 23.00604       26.54723 
1 1 1 19  19 3  o 252.5294 22.66175 1929.830       332.0613 0.000000       0.000000 1929.830       332.0613 ?        ?        252.5294 22.66175 0.000000       22.66175 
1 1 1 19  19 4  o 159.3880 13.70931 756.9759       126.9070 725.5471       137.7632 933.1401       326.1579 155.7163 15.28171 171.2594 33.67379 -15.54303      36.97911 
1 1 1 19  19 5  o 113.4875 17.98137 392.3553       115.6952 449.8013       123.7923 -4.173764      325.2379 121.7070 17.87543 83.59862 36.15580 38.10834       40.33328 
1 1 1 19  19 6  o 168.3792 13.60778 843.8867       133.2336 1009.186       146.6601 63.07952       318.7481 184.2165 13.67224 87.24717 36.69300 96.96937       39.15746 
1 1 1 19  19 7  o 55.00799 23.03398 18.82064       124.7673 106.9637       133.4099 -596.1160      352.3781 67.43961 25.15381 61.80643 30.11438 5.633186       39.23761 
1 1 1 19  19 8  o 275.5291 13.17797 2248.957       212.3271 2248.957       212.3271 0.000000       0.000000 275.5291 13.17797 ?        ?        0.000000       13.17797 
1 1 1 19  19 9  o 91.29767 40.25360 -62.26024      420.3313 -62.26024      420.3313 0.000000       0.000000 91.29767 40.25360 ?        ?        0.000000       40.25360 
1 1 1 19  19 10 o 106.9586 26.00782 359.0791       161.5442 359.0791       161.5442 0.000000       0.000000 106.9586 26.00782 ?        ?        0.000000       26.00782 
1 1 1 19  19 11 o 448.3401 19.02612 6001.843       499.1371 6001.843       499.1371 0.000000       0.000000 448.3401 19.02612 ?        ?        0.000000       19.02612 
1 1 1 19  19 12 o 414.5532 21.52711 5160.454       521.5864 5160.454       521.5864 0.000000       0.000000 414.5532 21.52711 ?        ?        0.000000       21.52711 
1 1 1 19  19 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  19 14 o 412.8544 12.93467 5044.092       312.8000 5044.092       312.8000 0.000000       0.000000 412.8544 12.93467 ?        ?        0.000000       12.93467 
1 1 1 19  19 15 o 300.0422 14.19015 2673.231       248.9932 2673.231       248.9932 0.000000       0.000000 300.0422 14.19015 ?        ?        0.000000       14.19015 
1 1 1 19  19 16 o 402.9231 10.82895 4794.398       255.6614 4888.458       313.0564 4606.050       442.9985 406.1801 13.15912 391.9140 19.33319 14.26608       23.38663 
1 1 1 19  19 17 o 44.81617 21.49733 -224.6279      162.8663 -249.3727      193.7787 -165.0924      300.5747 49.57754 23.69169 70.79770 32.36639 -21.22016      40.11084 
1 1 1 19  19 18 o 183.8144 16.44265 1015.124       175.3863 971.4910       225.9668 1081.239       278.1540 178.0796 22.11090 186.5061 26.14698 -8.426529      34.24261 
1 1 1 19  19 19 o 71.12507 27.61502 106.5797       164.8857 252.2929       213.2800 -109.8861      259.9532 92.84406 32.14768 67.69606 30.61386 25.14800       44.39236 
1 1 1 19  19 20 o 133.2987 21.98943 551.3200       165.9169 361.5458       217.4120 815.9755       256.7469 106.3321 32.14509 160.3587 28.33604 -54.02654      42.85135 
1 1 1 19  19 21 o 52.46915 23.67777 -69.50552      154.5439 -94.88549      220.2127 -44.87429      216.9402 62.32278 28.18106 65.11994 28.80588 -2.797165      40.29827 
1 1 1 19  19 22 o 199.3517 13.91156 1188.315       161.6265 1088.414       230.8808 1284.323       226.3357 188.3136 21.27748 205.6261 18.98244 -17.31247      28.51428 
1 1 1 19  19 23 o 171.0197 18.01413 890.0519       177.9693 995.8690       349.7829 853.0897       206.7283 172.7339 35.70843 166.0332 21.75290 6.700684       41.81245 
1 1 1 19  19 24 o 90.38986 26.02031 261.5189       145.3728 383.5383       238.2396 189.1350       183.4935 108.0546 33.83003 82.06000 29.68269 25.99464       45.00592 
1 1 1 19  19 25 o 60.09817 24.17618 62.11679       130.5477 16.93039       213.5832 89.06679       164.9463 68.22405 29.40186 68.13997 27.25609 0.8408356E-01  40.09194 
1 1 1 19  19 26 o 65.43235 24.33335 111.2887       124.6709 216.2314       219.2120 61.11790       151.5702 86.64603 32.25796 62.88963 25.77108 23.75640       41.28831 
1 1 1 19  19 27 o 86.45058 23.99809 244.3563       125.9723 284.7108       218.8683 224.3657       154.0460 93.52386 32.55582 83.55766 27.31388 9.966209       42.49623 
1 1 1 19  19 28 o 131.3401 16.71258 534.5825       125.8219 600.9300       231.9823 506.9304       149.7638 131.9337 30.57916 125.9558 21.01383 5.977905       37.10345 
1 1 1 19  19 29 o 199.5329 11.22350 1195.203       130.8095 1325.540       235.2832 1136.892       157.3733 205.3318 19.78279 193.3624 13.97163 11.96935       24.21911 
1 1 1 19  19 30 o 46.20817 20.25772 -10.81895      105.0712 -198.0011      198.3853 62.15839       123.8715 50.98754 24.25514 57.92079 23.46067 -6.933250      33.74485 
1 1 1 19  19 31 o 97.35907 21.20833 311.4521       117.6624 503.1018       282.0242 271.0631       129.4684 114.5553 36.92049 89.65063 24.10521 24.90469       44.09290 
1 1 1 19  19 32 o 38.51885 18.28278 -117.5877      111.4710 -458.4492      275.4910 -50.85534      121.8952 51.89775 25.55944 45.70477 20.78534 6.192989       32.94413 
1 1 1 19  19 33 o 62.90238 23.32690 113.2871       114.4213 -184.0189      265.8849 180.8605       126.7593 60.19706 28.47304 74.07661 24.79896 -13.87955      37.75848 
1 1 1 19  19 34 o 138.4997 16.82586 606.7469       133.8707 524.4066       262.4229 635.7128       155.6463 114.9639 35.42725 140.1590 19.45926 -25.19518      40.41971 
1 1 1 19  19 35 o 67.73179 24.60562 143.3417       126.2694 -82.09583      259.9261 212.9762       144.4604 63.47633 29.40674 78.60659 26.47542 -15.13026      39.56898 
1 1 1 19  19 36 o 77.47935 24.92424 208.0743       128.5679 224.0256       269.7297 203.3848       146.2510 83.44616 34.30685 76.87649 26.62086 6.569672       43.42385 
1 1 1 19  19 37 o 90.34290 23.12696 283.9435       123.0435 114.2076       270.0541 328.4109       138.2245 74.97588 32.68129 96.49601 24.41062 -21.52013      40.79148 
1 1 1 19  19 38 o 69.30679 24.57972 159.3681       125.1650 216.5591       267.3842 143.3194       141.6421 81.63673 33.91576 67.93496 25.79224 13.70177       42.60890 
1 1 1 19  19 39 o 95.01456 23.79860 318.9998       132.3165 308.1087       264.3488 322.6406       152.8407 88.87548 34.83329 93.74548 26.58215 -4.870003      43.81744 
1 1 1 19  20 0  o 132.0246 15.15653 523.2985       115.2302 540.6660       124.4578 419.0352       304.9433 134.0169 16.16063 116.7893 38.44382 17.22761       41.70243 
1 1 1 19  20 1  o 215.6080 12.22255 1377.208       153.9200 1394.158       174.7244 1318.476       325.2429 216.6288 13.82480 206.7306 27.50785 9.898285       30.78647 
1 1 1 19  20 2  o 198.9269 12.88582 1174.340       149.5247 1235.329       167.5951 936.3906       331.0388 203.8123 14.10811 171.3799 34.13552 32.43240       36.93606 
1 1 1 19  20 3  o 194.2697 24.36253 1153.838       271.4859 742.1083       430.5760 1425.536       349.7741 150.2979 45.19385 214.7578 28.47155 -64.45996      53.41454 
1 1 1 19  20 4  o 385.1397 21.30346 4455.150       479.3181 0.000000       0.000000 4455.150       479.3181 ?        ?        385.1397 21.30346 0.000000       21.30346 
1 1 1 19  20 5  o 488.4052 14.88337 7073.585       425.8189 6494.330       562.4056 7851.722       651.8424 465.5622 20.64921 511.3854 21.78411 -45.82324      30.01562 
1 1 1 19  20 6  o 133.7891 36.05095 575.5922       289.2053 390.2130       461.8597 695.1610       370.9272 122.5779 46.56596 146.0151 41.41341 -23.43728      62.31741 
1 1 1 19  20 7  o 229.1902 23.88041 1596.401       316.2851 1736.169       493.3564 1498.873       412.1155 233.6236 37.25811 218.5111 33.20176 15.11253       49.90515 
1 1 1 19  20 8  o 371.5200 13.12248 4084.458       285.4737 4084.458       285.4737 0.000000       0.000000 371.5200 13.12248 ?        ?        0.000000       13.12248 
1 1 1 19  20 9  o 424.6182 21.73094 5415.334       539.3627 5415.334       539.3627 0.000000       0.000000 424.6182 21.73094 ?        ?        0.000000       21.73094 
1 1 1 19  20 10 o 307.1725 15.20920 2803.336       273.1407 2803.336       273.1407 0.000000       0.000000 307.1725 15.20920 ?        ?        0.000000       15.20920 
1 1 1 19  20 11 o 245.0218 13.93930 1782.270       199.4807 1782.270       199.4807 0.000000       0.000000 245.0218 13.93930 ?        ?        0.000000       13.93930 
1 1 1 19  20 12 o 130.6527 21.87391 525.0796       161.6886 525.0796       161.6886 0.000000       0.000000 130.6527 21.87391 ?        ?        0.000000       21.87391 
1 1 1 19  20 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  20 14 o 168.9412 17.68540 859.6803       172.6335 859.6803       172.6335 0.000000       0.000000 168.9412 17.68540 ?        ?        0.000000       17.68540 
1 1 1 19  20 15 o 337.5001 20.75261 3432.340       408.7821 3432.340       408.7821 0.000000       0.000000 337.5001 20.75261 ?        ?        0.000000       20.75261 
1 1 1 19  20 16 o 238.5924 12.92615 1690.655       180.1987 1497.345       201.8657 2448.922       399.8033 223.8723 15.47001 283.1242 24.31311 -59.25195      28.81751 
1 1 1 19  20 17 o 121.7624 22.06329 460.8416       151.7559 462.0705       181.7460 458.0120       275.7860 120.7087 26.40895 119.0457 36.24913 1.663040       44.84900 
1 1 1 19  20 18 o 105.1172 25.08147 350.4992       152.4607 380.7632       186.9650 290.4338       263.3961 108.9710 28.81798 100.1066 35.64094 8.864395       45.83397 
1 1 1 19  20 19 o 551.3521 10.40126 8982.644       336.3299 8881.008       432.9814 9137.264       534.0470 546.7972 13.50182 552.6617 16.49513 -5.864502      21.31639 
1 1 1 19  20 20 o 89.15686 26.38012 249.9550       147.6250 157.9176       195.7780 371.2536       224.7552 80.25048 30.35633 107.4569 32.72473 -27.20639      44.63648 
1 1 1 19  20 21 o 149.0297 17.29052 674.7111       148.3217 784.5181       207.5898 560.1922       211.9969 158.9064 22.93797 131.9504 28.24719 26.95599       36.38755 
1 1 1 19  20 22 o 215.2702 12.37417 1380.957       155.5667 1393.231       226.2856 1369.957       214.2192 214.2759 18.17805 212.7972 17.31442 1.478638       25.10439 
1 1 1 19  20 23 o 70.40696 25.52272 133.5297       135.7600 -227.2894      208.1852 400.4946       179.0739 52.59743 24.97098 110.9046 27.63331 -58.30721      37.24446 
1 1 1 19  20 24 o 33.62762 16.67298 -284.4490      124.4195 -352.3047      201.8843 -242.8927      157.9894 46.05663 22.51711 42.45938 20.56598 3.597240       30.49557 
1 1 1 19  20 25 o 130.1864 16.31807 520.1710       121.8609 393.6073       211.6367 582.9457       149.0491 107.8814 31.49648 136.8669 19.08714 -28.98546      36.82861 
1 1 1 19  20 26 o 79.41289 23.30668 203.5163       115.6225 234.1360       212.4313 190.6270       137.8259 87.54537 31.89840 77.93276 25.85323 9.612610       41.05968 
1 1 1 19  20 27 o 135.9407 15.33291 567.3565       120.1129 503.3644       214.9515 596.4095       144.8350 120.6993 30.38983 138.1419 18.32898 -17.44266      35.48933 
1 1 1 19  20 28 o 58.83254 23.11461 76.13679       116.6442 -176.5948      224.0723 170.0821       136.6142 56.25353 26.46381 74.15902 25.72628 -17.90549      36.90765 
1 1 1 19  20 29 o 39.54530 18.77477 -127.6183      117.6985 -93.36057      289.8577 -134.3820      128.7943 68.74004 31.55923 41.56068 19.70487 27.17936       37.20574 
1 1 1 19  20 30 o 210.9496 10.36738 1334.267       127.8692 1181.043       227.2400 1405.264       154.6822 192.4438 20.44660 215.5531 12.28678 -23.10936      23.85432 
1 1 1 19  20 31 o 70.14268 22.65791 159.4427       106.1775 109.5469       213.3197 175.8751       122.4192 72.60847 30.23975 73.44555 24.36546 -0.8370743     38.83450 
1 1 1 19  20 32 o 71.44411 22.96692 167.4121       109.1806 139.1579       210.9176 177.7543       127.6079 74.67274 30.47660 73.69361 24.88331 0.9791260      39.34466 
1 1 1 19  20 33 o 55.04294 22.84142 48.49770       121.0823 -257.0096      253.2240 139.0534       137.8643 55.35801 26.61919 68.35794 25.55548 -12.99994      36.90073 
1 1 1 19  20 34 o 58.11718 23.64971 70.20752       126.5574 315.9744       253.2016 -11.64006      146.1193 92.06116 34.58817 52.89685 23.50688 39.16431       41.82003 
1 1 1 19  20 35 o 177.9712 12.60918 971.5708       130.7573 1480.686       281.3596 831.3228       147.6732 209.6057 23.28023 162.6229 15.67762 46.98286       28.06700 
1 1 1 19  20 36 o 92.47118 22.62063 294.8749       121.6494 359.4790       263.8690 277.4377       137.0869 94.99437 35.38654 88.33412 25.21721 6.660248       43.45244 
1 1 1 19  20 37 o 38.75270 18.85591 -200.0476      136.8503 7.921034       285.0038 -262.3658      156.0125 69.41031 31.64979 39.62658 19.46002 29.78373       37.15375 
1 1 1 19  20 38 o 139.7041 17.77443 631.8591       142.3388 710.9540       284.5195 605.4551       164.3891 129.9938 36.05835 133.7898 21.69301 -3.795990      42.08077 
1 1 1 19  21 0  o 211.3293 12.95571 1324.892       159.8009 1362.934       179.5560 1179.987       350.4380 214.0689 14.38548 193.7663 31.95034 20.30257       35.03949 
1 1 1 19  21 1  o 64.62096 23.42993 105.3527       114.4164 168.4274       123.6416 -270.6343      301.8724 75.63479 24.45196 66.36002 31.05795 9.274773       39.52840 
1 1 1 19  21 2  o 142.9773 15.93183 613.8319       131.3260 693.3148       142.0962 148.3341       343.8782 152.0012 16.18867 95.91506 39.00130 56.08616       42.22765 
1 1 1 19  21 3  o 255.4429 11.34832 1928.703       169.5861 1927.156       187.3967 1935.699       398.5555 255.1126 12.56370 251.1684 27.50591 3.944168       30.23940 
1 1 1 19  21 4  o 497.9323 15.35079 7357.288       447.7469 6563.476       585.9727 8471.047       694.0872 467.6537 21.42187 530.8766 22.34302 -63.22287      30.95331 
1 1 1 19  21 5  o 96.18317 22.07329 288.1031       121.8701 271.7096       128.1275 443.7503       394.7993 93.28620 23.44884 123.0998 43.65431 -29.81362      49.55347 
1 1 1 19  21 6  o 309.8293 12.32669 2839.241       223.5382 2685.305       250.1898 3448.482       497.7317 300.8708 14.21902 337.0419 25.36645 -36.17114      29.07984 
1 1 1 19  21 7  o 318.8858 11.39688 3003.852       212.8006 2868.967       233.5961 3661.840       515.9328 311.3308 12.82104 347.2538 25.51159 -35.92297      28.55206 
1 1 1 19  21 8  o 43.08216 19.49804 -56.65212      105.6930 -56.65212      105.6930 0.000000       0.000000 43.08216 19.49804 ?        ?        0.000000       19.49804 
1 1 1 19  21 9  o 406.4723 21.31050 4963.447       506.2388 4963.447       506.2388 0.000000       0.000000 406.4723 21.31050 ?        ?        0.000000       21.31050 
1 1 1 19  21 10 o 138.7304 18.33734 583.1271       145.5464 583.1271       145.5464 0.000000       0.000000 138.7304 18.33734 ?        ?        0.000000       18.33734 
1 1 1 19  21 11 o 406.1817 19.45493 4941.951       462.1002 4941.951       462.1002 0.000000       0.000000 406.1817 19.45493 ?        ?        0.000000       19.45493 
1 1 1 19  21 12 o 580.3506 19.38852 10084.94       658.9848 10084.94       658.9848 0.000000       0.000000 580.3506 19.38852 ?        ?        0.000000       19.38852 
1 1 1 19  21 13 o 280.4861 23.66752 2393.667       385.6976 2393.667       385.6976 0.000000       0.000000 280.4861 23.66752 ?        ?        0.000000       23.66752 
1 1 1 19  21 14 f 335.4967 12.46497 3334.861       244.8354 3334.861       244.8354 0.000000       0.000000 335.4967 12.46497 ?        ?        0.000000       12.46497 
1 1 1 19  21 15 o 243.8828 13.63026 1769.586       194.1800 1769.586       194.1800 0.000000       0.000000 243.8828 13.63026 ?        ?        0.000000       13.63026 
1 1 1 19  21 16 o 250.7870 11.82400 1865.320       173.4184 1823.757       196.4223 2012.241       369.2989 247.5253 13.58278 255.6987 24.94304 -8.173462      28.40153 
1 1 1 19  21 17 o 152.9989 24.37454 729.8444       211.3817 1191.467       374.2528 513.5970       256.1516 191.5313 34.59032 125.2413 34.00563 66.29005       48.50643 
1 1 1 19  21 18 o 264.6490 10.66537 2073.981       165.1986 2205.153       212.1603 1871.978       263.2820 272.1683 13.33213 249.1003 18.14618 23.06807       22.51732 
1 1 1 19  21 19 o 39.82756 19.10298 -176.7845      128.5532 -72.96829      156.0961 -395.6170      226.6290 52.48482 23.73006 49.08068 23.96573 3.404144       33.72643 
1 1 1 19  21 20 o 154.4173 15.97155 720.4673       142.5564 736.7825       187.2299 697.9622       219.8975 154.4897 21.22496 148.4179 26.22160 6.071747       33.73532 
1 1 1 19  21 21 o 334.4495 9.894688 3310.563       193.8676 2959.175       250.6623 3833.669       305.8371 314.8860 13.60540 358.0186 14.59640 -43.13260      19.95399 
1 1 1 19  21 22 o 48.55854 21.87406 -55.32651      131.2216 -202.7223      186.9942 87.67923       184.1884 50.06861 23.73999 70.83601 28.63823 -20.76740      37.19859 
1 1 1 19  21 23 o 69.69283 24.22327 140.1495       121.1454 133.1613       185.8560 145.3121       159.7444 75.42009 29.30850 74.12240 27.54829 1.297691       40.22308 
1 1 1 19  21 24 o 137.4621 14.97656 575.3031       118.7883 486.3463       190.9181 631.4933       151.7359 121.2745 27.48081 142.7489 18.56375 -21.47449      33.16335 
1 1 1 19  21 25 f 161.1297 12.56597 782.1724       117.8085 665.7087       190.8075 853.9203       149.7631 143.9309 23.40787 167.2975 15.43789 -23.36661      28.04027 
1 1 1 19  21 26 o 263.0667 9.248916 2057.873       142.4725 1805.614       223.7139 2229.993       184.7925 243.1813 15.77107 272.7993 11.57654 -29.61806      19.56382 
1 1 1 19  21 27 o 49.98431 21.12280 19.53572       106.4472 -217.5825      201.5609 111.2483       125.3540 50.78487 24.23953 64.75724 24.33533 -13.97237      34.34768 
1 1 1 19  21 28 o 77.42142 22.54214 196.2427       108.5377 580.8463       214.0652 63.15429       125.9243 129.8022 28.86620 58.40276 23.65486 71.39942       37.32037 
1 1 1 19  21 29 o 44.10447 19.64048 -25.13853      102.5473 -248.6892      198.7791 55.93302       119.7063 48.57398 23.41462 56.36177 22.97620 -7.787788      32.80473 
1 1 1 19  21 30 o 169.8791 11.16885 871.1867       110.6581 859.2222       198.8625 876.5530       133.1822 162.7993 21.34151 169.2875 13.52683 -6.488266      25.26727 
1 1 1 19  21 31 o 146.2209 12.77423 653.3338       108.4466 461.1778       193.2023 741.7263       131.0367 113.5500 28.93316 154.9402 14.59226 -41.39021      32.40466 
1 1 1 19  21 32 o 115.6514 16.01774 421.4774       105.7301 589.2263       196.9130 353.5237       125.3288 129.9752 26.72546 103.0282 21.44030 26.94695       34.26276 
1 1 1 19  21 33 o 84.12743 22.36992 241.0000       112.2688 77.10592       199.9208 316.4921       135.6835 67.39331 28.73157 95.57283 24.18965 -28.17952      37.55852 
1 1 1 19  21 34 o 41.50407 19.19710 -66.70846      110.1193 -339.1628      200.7476 50.56036       131.7027 44.46637 21.88372 56.41792 23.64772 -11.95156      32.21974 
1 1 1 19  21 35 o 81.43324 23.17334 229.9149       115.9474 119.4024       215.4033 274.9981       137.5796 71.55299 30.13230 87.95064 25.31174 -16.39764      39.35276 
1 1 1 19  21 36 o 78.07231 28.57681 212.3275       170.7811 -204.7090      289.7025 434.4431       211.4243 60.40019 28.89188 105.2566 31.67300 -44.85637      42.87096 
1 1 1 19  21 37 o 83.76991 28.68962 258.8960       169.7083 187.0507       306.8838 290.5466       203.6880 81.02523 35.08177 87.30779 31.31281 -6.282562      47.02364 
1 1 1 19  21 38 o 121.1542 19.97412 489.8716       136.9827 -17.64356      299.8219 623.7574       153.9948 68.78813 31.76717 137.1669 19.70800 -68.37872      37.38393 
1 1 1 19  22 0  o 326.2296 12.06518 3146.750       230.4405 2860.616       266.4897 3994.948       458.8217 310.4009 14.68044 364.4734 21.56117 -54.07245      26.08447 
1 1 1 19  22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  22 2  o 518.4996 11.84660 7936.379       360.2405 8083.596       427.0227 7572.998       670.8929 522.4333 13.94949 501.4707 22.87189 20.96268       26.79014 
1 1 1 19  22 3  o 310.0413 11.06978 2838.870       200.9608 2893.694       226.7151 2637.856       434.1200 312.7472 12.38500 294.4224 25.38912 18.32483       28.24882 
1 1 1 19  22 4  o 258.7884 11.54691 1980.290       174.8099 1933.390       192.2460 2204.225       420.0805 255.4412 12.87414 268.2717 27.06959 -12.83052      29.97509 
1 1 1 19  22 5  o 177.8751 31.91879 998.4966       320.7408 368.3127       493.5417 1459.235       422.0049 122.7319 47.74173 214.6753 34.70186 -91.94344      59.02111 
1 1 1 19  22 6  o 369.7248 17.61943 4077.927       380.9513 4333.622       555.0763 3850.254       523.7779 377.8625 25.19161 356.0512 25.24703 21.81131       35.66552 
1 1 1 19  22 7  o 200.9077 27.98377 1249.990       320.7900 1149.857       464.4661 1341.322       443.5850 186.2788 43.33408 203.7856 38.52643 -17.50679      57.98386 
1 1 1 19  22 8  o 148.9656 14.69816 663.9877       126.7388 663.9877       126.7388 0.000000       0.000000 148.9656 14.69816 ?        ?        0.000000       14.69816 
1 1 1 19  22 9  o 197.1587 13.33712 1155.543       153.3081 1155.543       153.3081 0.000000       0.000000 197.1587 13.33712 ?        ?        0.000000       13.33712 
1 1 1 19  22 10 o 199.6696 13.77092 1186.477       160.2718 1186.477       160.2718 0.000000       0.000000 199.6696 13.77092 ?        ?        0.000000       13.77092 
1 1 1 19  22 11 o 277.4636 27.62644 2373.576       443.5864 2373.576       443.5864 0.000000       0.000000 277.4636 27.62644 ?        ?        0.000000       27.62644 
1 1 1 19  22 12 o 358.8023 11.96006 3810.560       251.3227 3810.560       251.3227 0.000000       0.000000 358.8023 11.96006 ?        ?        0.000000       11.96006 
1 1 1 19  22 13 o 251.5973 27.74983 1963.638       402.6713 1963.638       402.6713 0.000000       0.000000 251.5973 27.74983 ?        ?        0.000000       27.74983 
1 1 1 19  22 14 o 343.5493 12.12368 3498.328       243.8892 3498.328       243.8892 0.000000       0.000000 343.5493 12.12368 ?        ?        0.000000       12.12368 
1 1 1 19  22 15 f 115.2859 19.45154 409.8203       126.8414 409.8203       126.8414 0.000000       0.000000 115.2859 19.45154 ?        ?        0.000000       19.45154 
1 1 1 19  22 16 o 243.7886 11.05520 1761.446       157.6518 1723.062       176.2038 1915.472       352.9717 240.7516 12.52250 249.2956 24.45647 -8.544006      27.47603 
1 1 1 19  22 17 o 121.5962 17.20962 451.1806       119.3016 401.0558       137.4822 603.9968       240.0518 113.3293 21.47068 136.4357 30.73994 -23.10640      37.49579 
1 1 1 19  22 18 o 35.44150 17.15671 -174.5581      109.5419 -164.6429      125.8616 -205.5280      222.4391 39.89373 19.07213 56.38497 26.47582 -16.49124      32.62997 
1 1 1 19  22 19 o 71.85641 23.48401 154.1527       113.8777 93.90094       132.0852 328.6251       224.7671 64.79755 24.83245 101.8056 32.97296 -37.00803      41.27792 
1 1 1 19  22 20 o 207.1102 11.26900 1275.537       136.3635 1119.823       170.5702 1551.320       226.9987 192.9022 15.19974 226.4630 17.22043 -33.56081      22.96900 
1 1 1 19  22 21 o 31.04002 15.37795 -239.7136      105.0657 -161.5668      133.6639 -366.0674      169.9624 41.66699 19.84613 39.91743 19.73683 1.749565       27.98949 
1 1 1 19  22 22 o 104.7394 18.36724 342.0507       108.7132 370.9322       157.4188 315.7172       150.3144 106.8174 25.48532 98.49048 25.74099 8.326958       36.22292 
1 1 1 19  22 23 o 372.3281 8.633423 4102.348       188.5208 4173.921       272.4964 4036.643       261.0869 373.5379 12.45614 367.5250 12.12950 6.012848       17.38621 
1 1 1 19  22 24 o 55.48266 21.37327 69.58546       98.20059 201.3059       159.4382 -10.92495      124.6498 80.55952 27.79995 50.63873 22.13561 29.92079       35.53621 
1 1 1 19  22 25 o 86.51537 19.40771 240.1044       96.04309 434.4918       167.7948 145.3868       117.1278 114.2832 25.66435 69.33767 23.83147 44.94557       35.02282 
1 1 1 19  22 26 o 39.57886 18.13120 -56.10354      94.96415 -92.42797      175.5447 -41.07535      112.9124 53.27086 24.49488 45.11424 20.30938 8.156624       31.81934 
1 1 1 19  22 27 o 126.7785 13.81873 491.9055       101.0846 536.6578       191.0025 474.4943       119.1365 125.9781 26.68332 123.2296 16.93180 2.748489       31.60198 
1 1 1 19  22 28 o 39.61525 18.00175 -43.88132      91.20857 -260.0664      189.7498 21.07735       104.0129 46.60810 22.56667 49.43818 20.88533 -2.830082      30.74819 
1 1 1 19  22 29 o 259.0305 8.757261 2000.120       132.8449 1855.070       214.6800 2090.127       169.1117 245.6332 14.97345 263.5921 10.96326 -17.95888      18.55795 
1 1 1 19  22 30 o 106.3085 15.83385 355.4524       95.71233 340.0490       189.6696 360.7150       110.8631 97.06425 30.15393 105.8523 18.53303 -8.788048      35.39396 
1 1 1 19  22 31 o 119.0630 14.74035 441.6759       100.7320 303.6025       198.3788 489.6443       116.9278 91.62746 31.02503 124.6124 16.39697 -32.98493      35.09150 
1 1 1 19  22 32 o 83.19262 20.64171 231.6965       100.2292 -58.47189      197.8812 331.8301       116.2437 57.37012 26.24052 99.99142 20.51103 -42.62130      33.30566 
1 1 1 19  22 33 o 43.23358 19.30871 -22.01603      99.86526 67.46205       197.2586 -52.85349      115.8022 66.02406 28.35226 43.84532 20.06171 22.17874       34.73216 
1 1 1 19  22 34 o 42.97208 19.40517 -32.94528      104.0068 -62.84639      203.9744 -22.43953      120.9053 57.37631 26.39043 47.30653 21.17817 10.06978       33.83740 
1 1 1 19  22 35 o 131.3739 17.99242 558.7631       134.9892 482.0369       213.3406 609.9905       174.3225 111.4717 31.33576 133.5357 23.09440 -22.06399      38.92661 
1 1 1 19  22 36 o 113.9966 30.11814 498.1586       204.3408 433.9810       231.6526 723.2006       433.7878 103.1730 33.47878 116.5869 44.91891 -13.41392      56.02265 
1 1 1 19  22 37 o 127.9381 15.52659 519.9188       114.1184 246.4167       230.6973 608.5253       131.3091 82.63768 32.49498 137.8144 16.57867 -55.17668      36.47980 
1 1 1 19  23 0  f 228.8404 11.84504 1550.492       158.4306 1481.807       174.3384 1876.173       379.6265 223.4054 13.36717 247.3246 26.58922 -23.91919      29.76017 
1 1 1 19  23 1  o 34.32417 16.44813 -132.5426      94.81701 -155.6962      99.45319 98.57060       314.2113 34.10674 16.47083 89.03323 36.85732 -54.92649      40.37017 
1 1 1 19  23 2  o 31.13515 15.30038 -197.9274      96.96797 -169.0696      100.9482 -542.3819      348.7650 33.71603 16.35651 62.80937 30.45445 -29.09334      34.56890 
1 1 1 19  23 3  o 311.1854 11.06427 2860.791       201.6047 2800.193       230.1151 3060.893       418.1607 307.4850 12.78850 318.2661 22.54880 -10.78110      25.92285 
1 1 1 19  23 4  o 236.3916 11.36769 1653.222       157.1377 1694.450       172.4048 1450.880       381.9395 239.1425 12.33423 215.2689 31.15763 23.87355       33.51016 
1 1 1 19  23 5  o 341.1685 11.23265 3439.181       224.4446 3421.889       255.2114 3498.211       471.5229 339.9193 12.82488 339.6631 23.82134 0.2561646      27.05428 
1 1 1 19  23 6  o 554.0117 12.16629 9071.110       395.3008 9017.688       459.6595 9222.822       774.6177 551.4116 14.22567 551.9714 23.98603 -0.5597534     27.88726 
1 1 1 19  23 7  o 341.3003 10.97704 3441.709       219.4358 3364.401       242.6755 3788.335       513.8596 337.1184 12.29479 352.6786 25.00577 -15.56027      27.86486 
1 1 1 19  23 8  o 75.37991 21.29119 175.5034       98.24750 139.8818       100.8950 827.6697       431.7101 68.80478 22.07436 156.9102 44.73597 -88.10542      49.88572 
1 1 1 19  23 9  o 151.4845 13.69999 685.4794       120.3992 685.4794       120.3992 0.000000       0.000000 151.4845 13.69999 ?        ?        0.000000       13.69999 
1 1 1 19  23 10 o 354.6667 14.67165 3741.704       304.5167 3741.704       304.5167 0.000000       0.000000 354.6667 14.67165 ?        ?        0.000000       14.67165 
1 1 1 19  23 11 o 77.16571 21.35074 185.0823       99.89210 185.0823       99.89210 0.000000       0.000000 77.16571 21.35074 ?        ?        0.000000       21.35074 
1 1 1 19  23 12 f 191.4259 34.99241 1188.262       378.3765 1188.262       378.3765 0.000000       0.000000 191.4259 34.99241 ?        ?        0.000000       34.99241 
1 1 1 19  23 13 o 387.2489 12.12233 4445.673       274.9740 4445.673       274.9740 0.000000       0.000000 387.2489 12.12233 ?        ?        0.000000       12.12233 
1 1 1 19  23 14 o 227.4155 30.22654 1636.469       393.1694 1636.469       393.1694 0.000000       0.000000 227.4155 30.22654 ?        ?        0.000000       30.22654 
1 1 1 19  23 15 f 230.3861 10.60050 1572.512       142.8459 1468.324       156.6545 2086.562       347.9659 222.2685 12.06271 260.8502 22.98018 -38.58168      25.95376 
1 1 1 19  23 16 o 122.1218 14.86127 450.8326       104.2498 484.7168       111.4076 212.2697       295.6088 126.5755 15.31904 94.57031 36.90237 32.00518       39.95570 
1 1 1 19  23 17 o 30.04738 14.68505 -159.2144      85.64703 -129.3571      92.35065 -342.7627      228.9760 33.72525 16.18004 51.36621 24.85102 -17.64096      29.65413 
1 1 1 19  23 18 o 45.61641 19.62844 -3.191227      94.90668 -5.196517      103.5933 7.283846       236.7674 47.39491 20.45129 71.39423 30.86311 -23.99932      37.02414 
1 1 1 19  23 19 o 235.0678 14.39249 1656.672       197.4663 1667.455       364.0551 1652.177       235.0466 229.3341 27.62309 233.6283 17.27674 -4.294220      32.58098 
1 1 1 19  23 20 o 39.82405 17.77265 -30.24851      84.44182 26.08601       97.00031 -206.5330      171.5904 49.57051 20.49573 46.94590 22.39551 2.624603       30.35842 
1 1 1 19  23 21 f 44.67356 18.74284 13.79923       82.85544 -47.96012      101.5558 136.7430       143.2870 42.32416 19.13792 71.21667 26.15788 -28.89251      32.41133 
1 1 1 19  23 22 o 29.75083 14.40393 -122.5610      77.27773 -181.4566      99.24699 -31.86868      123.1576 32.25150 15.77203 48.52575 21.57174 -16.27425      26.72260 
1 1 1 19  23 23 o 64.51392 19.85248 129.8282       82.44092 -14.58592      121.8874 251.6033       111.9266 49.70781 21.80453 88.09759 21.78625 -38.38978      30.82335 
1 1 1 19  23 24 o 42.78649 18.00211 12.85980       76.77503 -51.57299      125.4725 51.42155       97.06745 46.98899 21.25738 52.45288 20.93307 -5.463886      29.83403 
1 1 1 19  23 25 o 162.8695 9.580095 792.1240       91.10409 964.1116       160.0709 709.7184       110.8006 177.2498 15.55602 153.1801 12.44057 24.06972       19.91878 
1 1 1 19  23 26 o 169.1986 9.321766 854.5499       92.14334 1013.989       172.3237 790.7112       109.0408 181.1559 16.39705 161.9680 11.55504 19.18796       20.05947 
1 1 1 19  23 27 o 71.57985 18.06216 165.1869       75.81261 117.4204       161.7392 178.6369       85.82499 68.91517 27.17485 74.13422 19.48708 -5.219048      33.43978 
1 1 1 19  23 28 o 69.39554 19.29205 156.6357       81.34473 335.7708       164.9046 99.02987       93.51380 97.99971 27.55033 58.80537 21.20081 39.19434       34.76342 
1 1 1 19  23 29 o 77.11374 18.93955 194.5910       85.02175 122.0781       163.6637 221.3932       99.50160 68.87659 27.28065 81.68818 20.73632 -12.81159      34.26702 
1 1 1 19  23 30 f 65.30156 20.45014 138.1538       87.05077 39.33662       172.6408 171.8434       100.8035 61.48069 26.46426 71.98076 21.91488 -10.50006      34.36014 
1 1 1 19  23 31 o 72.15386 19.85190 172.6860       86.63235 358.0044       170.1275 107.8090       100.6608 99.61503 27.97569 60.45829 21.96840 39.15673       35.57035 
1 1 1 19  23 32 o 105.4614 15.33643 351.3278       92.07907 324.3636       174.9454 361.6597       108.2926 93.96155 28.92075 105.5984 18.13940 -11.63686      34.13865 
1 1 1 19  23 33 o 76.93799 19.92963 198.8276       90.64058 520.3792       188.9706 102.7427       103.2991 119.9529 27.45623 59.50474 22.14569 60.44812       35.27430 
1 1 1 19  23 34 o 50.40262 20.08696 55.41505       89.25623 -72.84527      192.8898 90.36085       100.6840 55.13356 25.46800 57.21785 21.74047 -2.084286      33.48532 
1 1 1 19  23 35 o 68.69492 28.85915 111.4377       196.8373 111.4377       196.8373 0.000000       0.000000 68.69492 28.85915 ?        ?        0.000000       28.85915 
1 1 1 19  23 36 o 110.1570 14.93677 384.5934       94.01426 419.0610       96.79586 -189.3939      395.0047 115.2052 14.65773 69.61625 33.41579 45.58897       36.48924 
1 1 1 19  24 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  24 1  o 265.7300 11.73826 2090.364       182.4828 2216.729       212.1139 1730.475       357.9646 273.3045 13.27310 237.2090 26.16532 36.09549       29.33938 
1 1 1 19  24 2  o 502.2069 11.67842 7451.884       343.9673 7509.185       414.3617 7324.886       616.8775 503.0958 14.05738 493.1387 21.38024 9.957153       25.58758 
1 1 1 19  24 3  o 282.3716 10.85239 2356.898       179.3856 2365.645       202.2461 2324.637       388.4212 282.5920 12.23206 276.1044 24.23271 6.487610       27.14494 
1 1 1 19  24 4  o 293.7766 11.07055 2551.875       190.3966 2521.164       215.8455 2659.557       404.1801 291.6329 12.64999 295.7280 23.49713 -4.095062      26.68590 
1 1 1 19  24 5  o 273.0125 11.08865 2204.634       177.1768 2137.998       195.8637 2504.707       415.6367 268.5415 12.47038 286.1961 25.01394 -17.65460      27.95009 
1 1 1 19  24 6  o 185.5994 11.92552 1022.580       129.1220 1001.463       136.1825 1210.532       406.2843 183.5084 12.73258 192.9039 37.26084 -9.395447      39.37625 
1 1 1 19  24 7  o 73.72675 32.72981 -65.86985      282.5417 207.8176       400.1407 -338.0130      399.0103 104.0678 42.16098 75.80726 35.55244 28.26054       55.15001 
1 1 1 19  24 8  o 71.22817 21.15508 155.2759       94.79260 153.2951       97.48915 189.6035       405.8425 70.98386 21.53942 103.1376 42.20625 -32.15372      47.38474 
1 1 1 19  24 9  o 136.6774 14.88692 561.8741       117.4044 561.8741       117.4044 0.000000       0.000000 136.6774 14.88692 ?        ?        0.000000       14.88692 
1 1 1 19  24 10 o 56.39491 20.79269 77.36020       90.67840 77.36020       90.67840 0.000000       0.000000 56.39491 20.79269 ?        ?        0.000000       20.79269 
1 1 1 19  24 11 o 147.9486 12.97216 654.1130       111.4195 654.1130       111.4195 0.000000       0.000000 147.9486 12.97216 ?        ?        0.000000       12.97216 
1 1 1 19  24 12 o 168.6971 12.47634 848.2227       122.5634 848.2227       122.5634 0.000000       0.000000 168.6971 12.47634 ?        ?        0.000000       12.47634 
1 1 1 19  24 13 f 171.1038 38.20888 980.4515       373.7179 980.4515       373.7179 0.000000       0.000000 171.1038 38.20888 ?        ?        0.000000       38.20888 
1 1 1 19  24 14 o 82.82468 18.91165 214.4716       89.83777 214.4716       89.83777 0.000000       0.000000 82.82468 18.91165 ?        ?        0.000000       18.91165 
1 1 1 19  24 15 o 211.4924 10.51699 1326.188       130.0386 1370.802       143.1462 1115.500       311.0728 214.8240 11.40262 187.0468 29.31987 27.77722       31.45909 
1 1 1 19  24 16 o 66.79404 19.63157 137.5653       81.98309 118.4402       85.60419 349.3863       284.8908 63.12194 20.34072 106.2584 37.13290 -43.13651      42.33907 
1 1 1 19  24 17 o 277.1645 9.275994 2272.234       150.5693 2029.079       174.5514 2979.242       297.6416 261.3117 11.41730 314.7447 16.17874 -53.43292      19.80167 
1 1 1 19  24 18 o 141.8022 11.27766 600.3700       93.01709 628.4293       103.9573 487.7101       208.3056 144.8441 12.35566 121.8071 29.48020 23.03698       31.96474 
1 1 1 19  24 19 o 225.5941 8.671633 1506.138       114.5169 1290.139       137.1520 2003.395       208.0970 208.0944 11.28023 258.5102 13.77553 -50.41580      17.80474 
1 1 1 19  24 20 o 30.03862 14.01190 -55.02685      60.60828 -19.98973      67.79720 -194.4532      135.2446 36.24093 16.06365 40.02613 19.29905 -3.785206      25.10964 
1 1 1 19  24 21 o 102.3785 11.60120 316.4664       68.43031 307.4919       83.37088 334.9961       119.7959 100.0598 14.64025 102.4933 20.64410 -2.433502      25.30841 
1 1 1 19  24 22 o 73.94527 14.98393 170.9890       62.75238 201.1324       78.67354 118.2722       104.0416 79.70399 17.32598 63.92438 22.43261 15.77961       28.34452 
1 1 1 19  24 23 o 183.0117 7.778245 993.0886       83.29510 973.3029       119.0774 1012.046       116.5572 180.0679 11.33316 183.8011 10.86127 -3.733261      15.69738 
1 1 1 19  24 24 o 28.60683 13.54458 -67.93362      60.45413 -179.0083      85.88587 41.14207       85.10952 28.75206 14.18143 48.59704 19.53064 -19.84498      24.13625 
1 1 1 19  24 25 o 174.0447 8.007895 900.0259       81.52001 779.3372       128.6444 981.0083       105.3787 159.8300 13.86094 181.0856 9.960798 -21.25565      17.06878 
1 1 1 19  24 26 o 127.7088 9.638674 489.1558       71.65907 600.2955       122.5335 431.3888       88.34050 139.3703 15.23921 118.8348 12.88127 20.53556       19.95396 
1 1 1 19  24 27 o 49.33381 17.73392 66.91895       65.37434 81.19278       112.5210 59.64552       80.32175 58.36284 22.76921 50.32831 19.34493 8.034527       29.87746 
1 1 1 19  24 28 o 31.82789 14.77164 -51.07331      66.03676 -142.9308      119.5408 -10.72973      79.22202 38.70175 18.52515 39.92381 17.54368 -1.222057      25.51396 
1 1 1 19  24 29 o 36.12041 16.09291 -19.28349      68.93456 -141.5464      126.8171 31.99264       82.12743 40.26680 19.22139 46.13063 18.94418 -5.863834      26.98784 
1 1 1 19  24 30 o 139.8682 9.466217 588.4371       77.19335 448.1551       149.1833 639.7302       90.20869 115.1752 22.89230 145.3857 10.65374 -30.21043      25.24994 
1 1 1 19  24 31 o 36.17301 15.87545 -8.394056      64.68630 88.36585       142.0579 -33.70482      72.65580 61.99443 25.11911 35.38771 16.07527 26.60672       29.82254 
1 1 1 19  24 32 f 46.74758 17.11698 59.53964       61.28083 59.66530       61.69553 50.28666       529.4184 46.83627 17.17068 86.26897 40.61328 -39.43271      44.09389 
1 1 1 19  24 33 o 92.93228 13.48452 270.4840       71.35014 280.4879       72.04545 -240.3123      514.8082 94.72659 13.33710 76.71539 37.15034 18.01121       39.47184 
1 1 1 19  24 34 o 47.49272 18.63915 51.75254       75.77721 37.28316       76.69233 647.2338       491.9953 45.34349 18.42557 109.2664 45.74625 -63.92294      49.31756 
1 1 1 19  24 35 o 51.94871 20.06474 69.27110       86.70894 69.27110       86.70894 0.000000       0.000000 51.94871 20.06474 ?        ?        0.000000       20.06474 
1 1 1 19  24 36 o 37.35336 17.05226 -38.39136      83.04214 -37.50855      84.67175 -60.66609      425.3154 37.84151 17.25348 75.20756 35.70132 -37.36605      39.65182 
1 1 1 19  25 0  o 424.2494 12.67070 5333.903       314.9094 5551.599       410.1588 5021.310       491.4926 431.3820 16.24111 408.1089 20.60143 23.27313       26.23343 
1 1 1 19  25 1  o 126.3773 14.55018 480.3562       105.8762 451.1566       111.9078 729.5358       326.9099 122.0984 16.01347 148.7425 37.49265 -26.64415      40.76922 
1 1 1 19  25 2  o 64.17626 20.75035 120.9403       89.03877 148.6378       92.97385 -185.6400      309.3232 69.84857 21.00021 70.83347 32.55026 -0.9848938     38.73665 
1 1 1 19  25 3  o 131.8218 13.53380 520.5487       103.1460 493.5802       108.3191 782.8354       337.8041 128.0827 14.68522 153.9245 37.71991 -25.84175      40.47774 
1 1 1 19  25 4  o 415.4828 16.00650 5150.981       389.3023 5479.345       613.6423 4929.802       503.6286 423.4883 24.81594 403.7497 21.34486 19.73859       32.73277 
1 1 1 19  25 5  o 161.3991 12.90338 776.8375       121.1228 761.0334       128.1047 910.0834       371.9695 159.5410 13.82761 165.3225 38.99965 -5.781448      41.37844 
1 1 1 19  25 6  o 71.17907 21.23212 155.2445       95.32211 149.8412       98.42195 236.9930       382.8261 70.31268 21.70118 104.1419 41.56817 -33.82925      46.89193 
1 1 1 19  25 7  o 279.2188 10.99618 2308.464       179.7161 2300.663       195.2924 2351.603       459.2188 278.4938 11.98497 274.1910 28.99600 4.302826       31.37527 
1 1 1 19  25 8  o 265.0233 10.96522 2080.309       170.0642 2055.579       182.4673 2243.884       469.2817 263.2211 11.85029 266.7069 30.55276 -3.485809      32.77042 
1 1 1 19  25 9  o 114.9743 15.16510 400.4052       99.76681 400.4052       99.76681 0.000000       0.000000 114.9743 15.16510 ?        ?        0.000000       15.16510 
1 1 1 19  25 10 o 196.9847 12.44118 1155.133       142.9948 1155.133       142.9948 0.000000       0.000000 196.9847 12.44118 ?        ?        0.000000       12.44118 
1 1 1 19  25 11 o 281.2745 11.19709 2345.382       184.3391 2345.382       184.3391 0.000000       0.000000 281.2745 11.19709 ?        ?        0.000000       11.19709 
1 1 1 19  25 12 o 37.88765 16.82603 -24.80448      74.74342 -24.80448      74.74342 0.000000       0.000000 37.88765 16.82603 ?        ?        0.000000       16.82603 
1 1 1 19  25 13 o 41.11654 17.46682 3.445671       73.43107 3.445671       73.43107 0.000000       0.000000 41.11654 17.46682 ?        ?        0.000000       17.46682 
1 1 1 19  25 14 o 187.1793 11.37205 1042.028       124.2490 1042.028       124.2490 0.000000       0.000000 187.1793 11.37205 ?        ?        0.000000       11.37205 
1 1 1 19  25 15 o 255.2998 9.635417 1929.438       144.0096 1811.693       160.0885 2428.842       329.6976 246.9991 11.07953 282.2502 20.04781 -35.25117      22.90569 
1 1 1 19  25 16 o 148.1630 24.32977 693.6870       204.0798 382.1982       348.1182 856.7927       251.9069 111.1131 40.77866 163.6530 27.20059 -52.53990      49.01807 
1 1 1 19  25 17 o 66.75481 27.50055 62.36136       173.7831 299.6037       347.1680 -16.96168      200.7443 103.6047 40.11298 63.94014 28.01696 39.66451       48.92854 
1 1 1 19  25 18 o 80.43841 14.24332 199.3538       64.73439 211.5123       69.73551 123.5903       174.0775 82.74083 14.91966 72.94980 28.36011 9.791031       32.04515 
1 1 1 19  25 19 o 34.11665 14.36199 5.635312       48.90676 22.87586       52.33893 -113.0354      137.3160 38.29999 15.34209 45.22163 21.09306 -6.921642      26.08250 
1 1 1 19  25 20 o 39.73726 14.64850 38.43346       45.00252 39.33022       49.94535 34.56365       103.7532 41.05118 15.37463 51.61181 21.25423 -10.56063      26.23207 
1 1 1 19  25 21 o 160.0346 7.598310 759.0984       71.11140 715.6512       91.91379 823.8832       112.2370 154.7167 10.18628 165.5833 11.63163 -10.86662      15.46141 
1 1 1 19  25 22 o 166.0059 7.349113 816.5721       71.37256 744.1553       95.61172 907.7121       107.2620 157.6317 10.40042 174.1069 10.55416 -16.47525      14.81752 
1 1 1 19  25 23 o 57.75733 13.64615 104.7587       45.48482 106.1645       57.00227 102.2946       75.46504 58.00776 16.15822 58.06003 19.12510 -0.5227280E-01 25.03713 
1 1 1 19  25 24 f 62.36032 12.44609 121.0127       43.92325 92.41319       56.12041 166.2294       70.56531 54.43598 16.30404 72.12676 16.96750 -17.69078      23.53120 
1 1 1 19  25 25 o 81.04765 9.482180 198.4123       44.22026 164.6500       59.87474 238.9264       65.58894 72.30424 14.62290 87.98206 13.11095 -15.67781      19.63991 
1 1 1 19  25 26 o 55.10047 12.53506 95.33289       39.59098 85.58427       55.14170 105.7054       56.87890 52.47966 16.25133 57.64004 16.17179 -5.160378      22.92668 
1 1 1 19  25 27 o 45.97762 16.07927 59.94548       53.42471 50.99891       300.1523 60.23819       54.29165 75.83180 33.69538 46.17136 16.20460 29.66044       37.38940 
1 1 1 19  25 28 o 100.9855 36.14193 394.6634       271.2056 394.6634       271.2056 0.000000       0.000000 100.9855 36.14193 ?        ?        0.000000       36.14193 
1 1 1 19  25 29 o 72.78011 31.84114 73.99023       258.3993 73.99023       258.3993 0.000000       0.000000 72.78011 31.84114 ?        ?        0.000000       31.84114 
1 1 1 19  25 30 o 92.89348 35.86955 327.5055       277.0526 327.5055       277.0526 0.000000       0.000000 92.89348 35.86955 ?        ?        0.000000       35.86955 
1 1 1 19  25 31 o 118.2153 34.33068 562.4764       252.0347 474.8038       295.6259 795.7552       482.2232 105.4989 37.73671 121.5402 47.21548 -16.04133      60.44304 
1 1 1 19  25 32 f 115.3561 10.29088 404.4693       68.89124 423.6583       69.56812 -567.2668      495.0612 118.1398 10.13863 67.96449 33.61901 50.17532       35.11452 
1 1 1 19  25 33 o 52.99700 17.38126 88.28156       62.35717 87.44109       62.82775 143.7574       510.4363 52.83763 17.45248 87.05630 40.62666 -34.21867      44.21667 
1 1 1 19  25 34 o 56.38177 18.57620 101.5584       71.19410 106.5220       71.84251 -169.7065      531.1027 57.47504 18.64365 78.03775 37.77706 -20.56271      42.12709 
1 1 1 19  25 35 o 43.72319 17.77861 34.22507       71.45538 34.22507       71.45538 0.000000       0.000000 43.72319 17.77861 ?        ?        0.000000       17.77861 
1 1 1 19  26 0  o 203.9704 10.23362 1231.865       122.0274 1430.543       587.6572 1222.912       124.7465 200.5774 50.10577 203.1735 10.50480 -2.596069      51.19511 
1 1 1 19  26 1  o 220.3615 24.14256 1496.915       306.9094 1914.987       632.9388 1368.400       350.9252 234.9353 47.57051 208.0946 29.58710 26.84073       56.02098 
1 1 1 19  26 2  f 194.0632 11.07025 1117.342       125.4717 739.2183       546.1492 1138.411       128.9200 147.1815 51.41468 195.8486 11.27165 -48.66707      52.63573 
1 1 1 19  26 3  o 220.8961 10.60872 1445.446       137.0346 1857.995       547.0471 1417.826       141.5475 235.8175 41.04485 218.6718 11.07325 17.14574       42.51231 
1 1 1 19  26 4  o 101.1655 36.40357 295.9082       275.5597 -543.6302      478.8545 711.5660       336.9390 77.31558 37.02667 145.5278 38.77943 -68.21223      53.61733 
1 1 1 19  26 5  o 68.05127 30.90216 -121.3384      268.2000 -480.5161      415.6085 134.9744       351.0871 72.21951 34.56164 93.86986 38.91893 -21.65034      52.04988 
1 1 1 19  26 6  o 252.2746 11.14750 1886.758       164.5235 1968.750       178.9209 1437.924       418.6183 257.5201 11.87875 210.0147 35.23405 47.50540       37.18257 
1 1 1 19  26 7  o 67.69019 19.62648 141.2778       82.43169 137.4262       84.20223 229.9859       404.0949 66.96686 19.95039 104.5085 42.35812 -37.54161      46.82124 
1 1 1 19  26 8  o 141.2395 13.01509 597.2810       106.5971 621.1641       110.4134 269.5982       408.9809 144.0119 13.22031 107.4199 42.93517 36.59201       44.92444 
1 1 1 19  26 9  o 152.1067 12.39681 690.8681       109.6301 690.8681       109.6301 0.000000       0.000000 152.1067 12.39681 ?        ?        0.000000       12.39681 
1 1 1 19  26 10 o 288.7026 23.68569 2566.698       397.5166 2566.698       397.5166 0.000000       0.000000 288.7026 23.68569 ?        ?        0.000000       23.68569 
1 1 1 19  26 11 o 101.1161 14.99756 311.4744       86.24738 311.4744       86.24738 0.000000       0.000000 101.1161 14.99756 ?        ?        0.000000       14.99756 
1 1 1 19  26 12 o 174.7558 11.58171 909.4358       118.0314 909.4358       118.0314 0.000000       0.000000 174.7558 11.58171 ?        ?        0.000000       11.58171 
1 1 1 19  26 13 o 164.9027 11.33742 810.1118       108.9787 810.1118       108.9787 0.000000       0.000000 164.9027 11.33742 ?        ?        0.000000       11.33742 
1 1 1 19  26 14 o 389.5580 11.79016 4511.708       269.0556 4511.708       269.0556 0.000000       0.000000 389.5580 11.79016 ?        ?        0.000000       11.79016 
1 1 1 19  26 15 o 163.4048 10.18028 793.9893       97.07609 811.1976       103.4887 667.9015       280.1303 165.0422 10.75022 140.4356 34.30990 24.60666       35.95465 
1 1 1 19  26 16 o 115.9591 10.85963 402.6518       72.99422 445.7082       78.35233 119.7530       200.8394 122.0034 11.07080 75.61526 30.13257 46.38810       32.10194 
1 1 1 19  26 17 o 273.3968 8.397429 2212.237       134.4854 2032.418       163.9776 2581.715       235.0504 261.2754 10.72407 293.1612 13.70908 -31.88580      17.40530 
1 1 1 19  26 18 o 117.0567 9.147954 408.5699       62.30318 419.5317       69.37782 362.8956       141.6176 118.4177 10.08561 105.7022 23.45743 12.71549       25.53371 
1 1 1 19  26 19 o 130.6053 8.254708 507.0169       62.90506 505.1961       74.82757 511.4044       116.1569 129.9915 9.889350 128.9719 15.67845 1.019531       18.53680 
1 1 1 19  26 20 o 127.9720 12.15742 495.2167       90.14993 -67.40590      313.7401 545.8495       94.11904 73.45721 33.38290 134.4360 12.06564 -60.97880      35.49644 
1 1 1 19  26 21 o 47.65606 16.86068 62.31520       58.86514 -649.2230      326.7375 86.18489       59.84436 54.14888 26.87724 53.25084 16.99195 0.8980446      31.79800 
1 1 1 19  26 22 o 139.1908 38.09159 736.5433       319.9345 736.5433       319.9345 0.000000       0.000000 139.1908 38.09159 ?        ?        0.000000       38.09159 
1 1 1 19  26 23 o 252.7055 23.57965 2072.653       345.4301 2072.653       345.4301 0.000000       0.000000 252.7055 23.57965 ?        ?        0.000000       23.57965 
1 1 1 19  26 24 o 92.92140 37.21164 274.0951       307.8128 274.0951       307.8128 0.000000       0.000000 92.92140 37.21164 ?        ?        0.000000       37.21164 
1 1 1 19  26 25 o 93.16743 36.98253 292.1644       301.3905 292.1644       301.3905 0.000000       0.000000 93.16743 36.98253 ?        ?        0.000000       36.98253 
1 1 1 19  26 26 o 79.49160 34.39798 118.9980       294.6974 118.9980       294.6974 0.000000       0.000000 79.49160 34.39798 ?        ?        0.000000       34.39798 
1 1 1 19  26 27 o 87.47470 35.95665 238.6074       296.2271 238.6074       296.2271 0.000000       0.000000 87.47470 35.95665 ?        ?        0.000000       35.95665 
1 1 1 19  26 28 o 72.90924 32.37005 53.00583       276.4320 53.00583       276.4320 0.000000       0.000000 72.90924 32.37005 ?        ?        0.000000       32.37005 
1 1 1 19  26 29 o 71.08625 31.00857 76.84158       243.4990 76.84158       243.4990 0.000000       0.000000 71.08625 31.00857 ?        ?        0.000000       31.00857 
1 1 1 19  26 30 o 63.10324 29.10912 -59.42837      250.7297 -59.42837      250.7297 0.000000       0.000000 63.10324 29.10912 ?        ?        0.000000       29.10912 
1 1 1 19  26 31 o 78.53934 33.87374 155.9213       283.9232 155.9213       283.9232 0.000000       0.000000 78.53934 33.87374 ?        ?        0.000000       33.87374 
1 1 1 19  26 32 o 71.73470 31.55923 87.85770       257.0544 31.77414       303.0043 231.8595       485.5288 71.93716 32.73687 89.55138 41.01382 -17.61421      52.47701 
1 1 1 19  26 33 o 76.71622 32.91341 158.1811       265.3743 62.38197       305.5154 452.5807       535.5760 73.35079 33.17808 98.34049 44.25461 -24.98970      55.31054 
1 1 1 19  26 34 o 67.54028 30.55055 25.76292       259.0581 96.78382       296.9511 -200.4616      529.9827 74.42515 33.26357 76.79729 37.30764 -2.372147      49.98325 
1 1 1 19  27 0  o 46.39538 20.23043 -15.02627      103.5593 111.6964       568.7486 -19.37172      105.3199 109.7389 47.63527 46.34533 20.30075 63.39359       51.78069 
1 1 1 19  27 1  o 117.6007 17.34995 423.0741       116.0729 505.4420       563.5605 419.4252       118.6160 130.6764 50.96368 116.9429 17.86049 13.73353       54.00273 
1 1 1 19  27 2  o 218.0376 11.14865 1410.912       142.0888 874.1861       548.5981 1449.506       147.1087 156.0340 51.57270 220.9495 11.39104 -64.91554      52.81572 
1 1 1 19  27 3  o 142.1222 15.18015 609.2643       124.5717 -400.2191      479.8340 682.2202       128.9946 81.52627 38.46755 150.5754 14.79817 -69.04913      41.21575 
1 1 1 19  27 4  o 135.0536 16.02540 552.6433       124.4590 475.2873       401.5035 560.8666       130.9072 122.4809 43.95842 135.8597 16.78608 -13.37878      47.05438 
1 1 1 19  27 5  o 134.5899 13.89282 544.6566       108.0872 81.69910       388.3170 583.5378       112.5345 93.46774 39.95068 139.3419 13.95834 -45.87419      42.31894 
1 1 1 19  27 6  o 89.25312 20.64089 250.6001       105.8899 183.8748       379.2243 256.2425       110.2762 99.06132 40.69738 90.16254 21.21160 8.898773       45.89345 
1 1 1 19  27 7  o 135.6236 14.01368 553.4106       109.8613 244.1018       405.3979 577.9264       114.1321 104.9872 42.47191 138.5671 14.24696 -33.57992      44.79776 
1 1 1 19  27 8  o 54.17628 20.40632 67.47843       88.25605 952.0037       367.8409 13.44925       90.91155 167.6811 38.25323 46.75631 19.62582 120.9248       42.99398 
1 1 1 19  27 9  o 142.0479 12.54978 603.9748       103.4751 500.8497       378.2304 612.3176       107.5792 123.3413 42.80526 142.9339 12.97464 -19.59267      44.72842 
1 1 1 19  27 10 o 101.7162 16.72152 318.2764       96.28757 748.4573       398.2318 291.5659       99.23187 145.8121 43.37392 96.88634 18.13002 48.92578       47.01058 
1 1 1 19  27 11 o 214.9172 32.27293 1505.393       394.2262 1505.393       394.2262 0.000000       0.000000 214.9172 32.27293 ?        ?        0.000000       32.27293 
1 1 1 19  27 12 o 70.76218 20.23638 156.5419       88.20533 539.2888       389.2869 135.8285       90.56062 125.6420 43.43552 66.72437 20.85281 58.91762       48.18178 
1 1 1 19  27 13 o 99.35258 15.06922 302.2513       85.05344 440.2691       373.5083 294.7031       87.34827 116.2220 42.30457 97.89513 15.74802 18.32690       45.14063 
1 1 1 19  27 14 o 38.94094 17.04638 -13.21847      74.15303 -397.9727      354.8680 4.348514       75.82697 66.27388 31.77487 41.67746 17.72894 24.59642       36.38623 
1 1 1 19  27 15 o 94.70779 13.83885 274.2076       74.59702 -176.9804      341.0385 296.8794       76.44826 72.80746 33.71368 98.69012 13.56683 -25.88267      36.34103 
1 1 1 19  27 16 o 161.1905 8.418526 770.8961       79.30823 1060.708       314.0610 751.1564       81.96467 177.5891 31.29725 159.0163 8.823494 18.57280       32.51725 
1 1 1 19  27 17 o 26.31854 12.43483 -56.10808      50.44983 -57.90698      303.2724 -56.05688      51.16270 73.39620 33.14083 26.58433 12.54890 46.81187       35.43712 
1 1 1 19  27 18 o 110.1729 16.73541 378.1576       104.7374 270.0655       294.6661 393.7888       112.0548 94.69039 36.87366 112.1293 17.62016 -17.43887      40.86731 
1 1 1 19  27 19 o 60.29830 29.02959 -341.1405      303.2737 -341.1405      303.2737 0.000000       0.000000 60.29830 29.02959 ?        ?        0.000000       29.02959 
1 1 1 19  27 20 o 75.00828 34.14219 -55.84055      329.8120 -55.84055      329.8120 0.000000       0.000000 75.00828 34.14219 ?        ?        0.000000       34.14219 
1 1 1 19  27 21 f 58.44396 28.55005 -457.1588      322.6291 -457.1588      322.6291 0.000000       0.000000 58.44396 28.55005 ?        ?        0.000000       28.55005 
1 1 1 19  27 22 o 76.40298 34.11977 17.97064       311.7631 17.97064       311.7631 0.000000       0.000000 76.40298 34.11977 ?        ?        0.000000       34.11977 
1 1 1 19  27 23 f 67.34166 31.63182 -171.0220      318.0022 -171.0220      318.0022 0.000000       0.000000 67.34166 31.63182 ?        ?        0.000000       31.63182 
1 1 1 19  27 24 o 68.95133 31.87782 -87.84682      303.1363 -87.84682      303.1363 0.000000       0.000000 68.95133 31.87782 ?        ?        0.000000       31.87782 
1 1 1 19  27 25 o 60.69151 28.88309 -216.3008      281.8883 -216.3008      281.8883 0.000000       0.000000 60.69151 28.88309 ?        ?        0.000000       28.88309 
1 1 1 19  27 26 f 124.7581 35.39668 613.6303       270.9292 613.6303       270.9292 0.000000       0.000000 124.7581 35.39668 ?        ?        0.000000       35.39668 
1 1 1 19  27 27 o 120.4859 34.73116 574.7621       258.8328 574.7621       258.8328 0.000000       0.000000 120.4859 34.73116 ?        ?        0.000000       34.73116 
1 1 1 19  27 28 o 83.83997 33.98535 230.3626       260.1699 230.3626       260.1699 0.000000       0.000000 83.83997 33.98535 ?        ?        0.000000       33.98535 
1 1 1 19  27 29 o 58.12893 27.70379 -189.7377      261.2717 -189.7377      261.2717 0.000000       0.000000 58.12893 27.70379 ?        ?        0.000000       27.70379 
1 1 1 19  27 30 o 84.55031 34.52584 246.4858       270.8586 246.4858       270.8586 0.000000       0.000000 84.55031 34.52584 ?        ?        0.000000       34.52584 
1 1 1 19  27 31 o 70.34049 32.35640 -4.560350      306.7228 -4.560350      306.7228 0.000000       0.000000 70.34049 32.35640 ?        ?        0.000000       32.35640 
1 1 1 19  27 32 o 103.5248 35.72613 460.1538       263.3163 456.6582       310.2684 469.1533       497.8391 100.9337 38.20726 98.96259 43.71301 1.971092       58.05706 
1 1 1 19  27 33 o 110.9920 36.42960 539.9294       273.9037 672.9811       324.9414 213.3335       509.0968 119.8288 39.69457 88.21120 40.96531 31.61761       57.04222 
1 1 1 19  28 0  o 130.5103 16.86894 519.0286       126.0998 760.9702       503.8461 502.8614       130.2448 146.3268 49.44448 128.1575 17.80926 18.16922       52.55403 
1 1 1 19  28 1  o 190.5080 12.49100 1082.437       138.7901 50.53886       518.3102 1162.143       144.0506 102.4230 44.94493 197.4214 12.50570 -94.99835      46.65233 
1 1 1 19  28 2  o 245.0876 21.03230 1837.851       299.3941 1364.440       502.3814 2098.588       372.8344 197.1854 44.50172 259.9954 24.74936 -62.80992      50.92086 
1 1 1 19  28 3  o 38.20443 18.40338 -179.0110      122.2953 -977.1195      442.6348 -113.0517      127.2485 62.30219 30.98444 43.42870 20.27276 18.87349       37.02729 
1 1 1 19  28 4  f 216.9469 11.55386 1399.477       146.4745 443.0144       397.7526 1549.535       157.5461 118.9755 43.60127 228.2428 11.80972 -109.2673      45.17234 
1 1 1 19  28 5  o 96.62410 21.17273 294.4547       116.6591 200.3399       340.1507 307.0005       124.1915 96.58627 38.96466 98.48484 22.05156 -1.898567      44.77182 
1 1 1 19  28 6  o 204.0199 23.65215 1294.490       277.7673 860.9395       392.6378 1728.856       393.0069 156.8120 41.89647 232.7335 29.45168 -75.92152      51.21245 
1 1 1 19  28 7  o 110.9627 17.80373 379.7621       111.9442 797.1361       399.4465 344.1880       116.6173 150.0775 43.11021 104.9860 19.66245 45.09150       47.38251 
1 1 1 19  28 8  o 132.8769 14.19570 533.0347       108.9142 0.000000       0.000000 533.0347       108.9142 ?        ?        132.8769 14.19570 0.000000       14.19570 
1 1 1 19  28 9  o 325.9249 9.740250 3146.091       185.9733 3293.297       428.9760 3112.020       206.3757 326.5894 22.53466 323.7562 10.88448 2.833252       25.02564 
1 1 1 19  28 10 o 181.8106 12.06995 987.5553       127.9704 0.000000       0.000000 987.5553       127.9704 ?        ?        181.8106 12.06995 0.000000       12.06995 
1 1 1 19  28 11 o 323.6973 9.600738 3104.871       182.0598 3075.891       417.1981 3111.688       202.3428 314.7573 22.75399 323.6558 10.67452 -8.898499      25.13343 
1 1 1 19  28 12 o 109.5003 14.88824 366.4010       93.13699 195.4581       360.7524 378.6088       96.40528 95.80584 39.56083 111.2562 15.16967 -15.45037      42.36954 
1 1 1 19  28 13 o 151.1251 11.03594 683.0542       97.13874 1190.927       370.7788 645.6266       100.6544 186.0408 35.27303 146.6987 11.79863 39.34210       37.19401 
1 1 1 19  28 14 o 144.1196 10.78499 621.5994       90.49662 1277.570       329.1842 567.9703       94.12324 196.4506 29.48053 137.4536 11.78966 58.99707       31.75056 
1 1 1 19  28 15 o 184.1869 8.213945 1006.165       88.50488 1408.077       319.9218 972.8566       92.09932 207.6427 26.90277 180.9811 8.702566 26.66167       28.27532 
1 1 1 19  28 16 o 40.93790 16.07647 31.88198       56.40212 33.41475       323.1644 31.83383       57.28129 80.06153 35.29773 41.13932 16.18743 38.92221       38.83249 
1 1 1 19  28 17 o 190.3798 11.02277 1086.750       122.5465 499.0202       318.0704 1189.201       132.7987 115.7313 39.28403 199.0181 11.42562 -83.28674      40.91185 
1 1 1 19  28 18 o 90.35705 37.20783 212.2221       317.9420 212.2221       317.9420 0.000000       0.000000 90.35705 37.20783 ?        ?        0.000000       37.20783 
1 1 1 19  28 19 o 72.40062 33.58410 -128.8732      340.6603 -128.8732      340.6603 0.000000       0.000000 72.40062 33.58410 ?        ?        0.000000       33.58410 
1 1 1 19  28 20 o 99.32658 39.27252 332.3822       338.6242 332.3822       338.6242 0.000000       0.000000 99.32658 39.27252 ?        ?        0.000000       39.27252 
1 1 1 19  28 21 o 88.69698 36.99094 209.6637       319.8405 209.6637       319.8405 0.000000       0.000000 88.69698 36.99094 ?        ?        0.000000       36.99094 
1 1 1 19  28 22 o 62.88786 30.12852 -278.6549      317.7070 -278.6549      317.7070 0.000000       0.000000 62.88786 30.12852 ?        ?        0.000000       30.12852 
1 1 1 19  28 23 f 66.24915 31.34399 -191.6607      322.6100 -191.6607      322.6100 0.000000       0.000000 66.24915 31.34399 ?        ?        0.000000       31.34399 
1 1 1 19  28 24 o 80.52697 34.98913 126.3477       307.4714 126.3477       307.4714 0.000000       0.000000 80.52697 34.98913 ?        ?        0.000000       34.98913 
1 1 1 19  28 25 o 62.05152 29.36211 -176.9411      283.2902 -176.9411      283.2902 0.000000       0.000000 62.05152 29.36211 ?        ?        0.000000       29.36211 
1 1 1 19  28 26 o 71.11754 32.24951 5.670553       290.8545 5.670553       290.8545 0.000000       0.000000 71.11754 32.24951 ?        ?        0.000000       32.24951 
1 1 1 19  28 27 o 109.4091 36.50808 498.2267       274.7530 498.2267       274.7530 0.000000       0.000000 109.4091 36.50808 ?        ?        0.000000       36.50808 
1 1 1 19  28 28 o 63.11179 29.30329 -76.10718      260.2961 -76.10718      260.2961 0.000000       0.000000 63.11179 29.30329 ?        ?        0.000000       29.30329 
1 1 1 19  28 29 o 100.9316 36.15967 427.8318       271.5457 427.8318       271.5457 0.000000       0.000000 100.9316 36.15967 ?        ?        0.000000       36.15967 
1 1 1 19  28 30 o 123.1196 37.78350 667.0250       298.8713 667.0250       298.8713 0.000000       0.000000 123.1196 37.78350 ?        ?        0.000000       37.78350 
1 1 1 19  28 31 o 71.75673 32.31136 60.75314       286.0023 60.75314       286.0023 0.000000       0.000000 71.75673 32.31136 ?        ?        0.000000       32.31136 
1 1 1 19  28 32 o 65.06864 30.98165 -150.1915      325.1631 -150.1915      325.1631 0.000000       0.000000 65.06864 30.98165 ?        ?        0.000000       30.98165 
1 1 1 19  29 0  o 112.1441 23.29121 399.9714       148.1722 1283.439       531.3660 325.4824       154.2924 186.6180 48.21028 100.3923 26.00073 86.22571       54.77471 
1 1 1 19  29 1  o 251.3802 10.77936 1876.434       158.5492 2017.705       531.1790 1862.617       166.1220 244.3552 38.32484 250.2830 11.34688 -5.927734      39.96931 
1 1 1 19  29 2  o 164.0693 14.24085 810.0534       135.6736 1804.019       486.8618 726.3665       141.2697 231.7279 37.07336 154.8432 15.77643 76.88469       40.29057 
1 1 1 19  29 3  o 363.4551 9.578612 3910.048       203.9977 3730.544       471.5285 3951.382       226.2690 347.1853 23.29250 364.9991 10.58136 -17.81381      25.58331 
1 1 1 19  29 4  o 151.5144 14.54800 692.7847       127.6863 1276.473       429.8333 636.2922       133.7227 192.3205 39.43365 144.7092 16.02468 47.61134       42.56529 
1 1 1 19  29 5  o 86.51050 23.14551 239.0363       119.7291 682.2808       414.0870 198.5996       125.0713 137.9827 44.75965 79.60220 24.44460 58.38045       50.99966 
1 1 1 19  29 6  o 180.0715 11.56657 967.4587       121.5059 741.6963       376.0761 993.7719       128.3917 144.1165 41.96056 182.3752 12.07179 -38.25865      43.66254 
1 1 1 19  29 7  o 29.07951 14.49624 -252.0426      99.28110 53.58073       367.0172 -276.1722      103.1259 88.05959 38.24500 29.06501 14.53275 58.99459       40.91309 
1 1 1 19  29 8  o 37.26815 17.73625 -128.1102      106.3055 0.000000       0.000000 -128.1102      106.3055 ?        ?        37.26815 17.73625 0.000000       17.73625 
1 1 1 19  29 9  o 131.0920 13.81339 520.1199       104.6061 1172.992       385.0368 468.0919       108.6943 184.0918 36.94848 123.8521 15.28836 60.23965       39.98655 
1 1 1 19  29 10 o 33.93077 16.31415 -134.2248      95.05875 633.9095       368.9810 -188.8306      98.37956 131.6161 42.21270 31.67158 15.53300 99.94448       44.97984 
1 1 1 19  29 11 o 61.58469 21.17384 110.0586       92.46307 308.9459       335.3312 93.69277       96.19212 101.4845 39.38718 59.16098 21.47839 42.32353       44.86280 
1 1 1 19  29 12 o 230.1866 26.46218 1716.350       350.7462 1716.350       350.7462 0.000000       0.000000 230.1866 26.46218 ?        ?        0.000000       26.46218 
1 1 1 19  29 13 o 225.3450 9.432205 1510.779       124.3799 1501.895       356.9685 1512.006       132.6955 212.1035 29.49348 225.2105 10.07204 -13.10701      31.16587 
1 1 1 19  29 14 o 136.6040 11.44660 561.8217       90.86195 452.4680       345.0457 569.9698       94.18625 111.8031 40.66600 137.4883 11.79461 -25.68526      42.34190 
1 1 1 19  29 15 o 80.05199 14.87755 200.1831       67.27758 -21.73959      333.1714 209.6169       68.69267 77.47408 34.88102 81.97426 14.83432 -4.500183      37.90439 
1 1 1 19  29 16 f 30.00546 14.94315 -254.0409      104.4189 -287.5114      341.6692 -250.5927      109.6658 66.45833 31.67555 31.36982 15.57075 35.08851       35.29574 
1 1 1 19  29 17 o 109.5601 40.69523 449.4047       348.5012 449.4047       348.5012 0.000000       0.000000 109.5601 40.69523 ?        ?        0.000000       40.69523 
1 1 1 19  29 18 o 80.31847 35.67599 46.21669       336.1663 46.21669       336.1663 0.000000       0.000000 80.31847 35.67599 ?        ?        0.000000       35.67599 
1 1 1 19  29 19 o 83.62386 36.66237 102.4685       344.1800 102.4685       344.1800 0.000000       0.000000 83.62386 36.66237 ?        ?        0.000000       36.66237 
1 1 1 19  29 20 o 139.4173 38.93007 773.2017       330.4482 773.2017       330.4482 0.000000       0.000000 139.4173 38.93007 ?        ?        0.000000       38.93007 
1 1 1 19  29 21 o 76.99545 33.82777 76.52905       294.4196 76.52905       294.4196 0.000000       0.000000 76.99545 33.82777 ?        ?        0.000000       33.82777 
1 1 1 19  29 22 o 109.1055 37.84793 478.9609       295.6815 478.9609       295.6815 0.000000       0.000000 109.1055 37.84793 ?        ?        0.000000       37.84793 
1 1 1 19  29 23 o 80.18836 34.37859 144.4610       289.1451 144.4610       289.1451 0.000000       0.000000 80.18836 34.37859 ?        ?        0.000000       34.37859 
1 1 1 19  29 24 o 120.7547 37.61958 603.4590       294.9864 603.4590       294.9864 0.000000       0.000000 120.7547 37.61958 ?        ?        0.000000       37.61958 
1 1 1 19  29 25 o 61.40647 29.41268 -233.1823      302.4430 -233.1823      302.4430 0.000000       0.000000 61.40647 29.41268 ?        ?        0.000000       29.41268 
1 1 1 19  29 26 o 114.6091 38.34550 568.8040       303.0748 568.8040       303.0748 0.000000       0.000000 114.6091 38.34550 ?        ?        0.000000       38.34550 
1 1 1 19  29 27 o 62.60812 29.26790 -98.37437      266.7871 -98.37437      266.7871 0.000000       0.000000 62.60812 29.26790 ?        ?        0.000000       29.26790 
1 1 1 19  29 28 o 103.9561 37.42080 468.9663       291.2043 468.9663       291.2043 0.000000       0.000000 103.9561 37.42080 ?        ?        0.000000       37.42080 
1 1 1 19  29 29 o 70.31945 31.58339 51.64073       271.3065 51.64073       271.3065 0.000000       0.000000 70.31945 31.58339 ?        ?        0.000000       31.58339 
1 1 1 19  29 30 o 87.07282 35.42945 291.1884       283.9999 291.1884       283.9999 0.000000       0.000000 87.07282 35.42945 ?        ?        0.000000       35.42945 
1 1 1 19  29 31 o 65.40943 31.06506 -133.5558      322.7866 -133.5558      322.7866 0.000000       0.000000 65.40943 31.06506 ?        ?        0.000000       31.06506 
1 1 1 19  30 0  o 86.93868 24.77250 243.0338       132.4162 -179.3565      484.7199 277.0980       137.6521 87.66647 40.45199 92.54243 24.84337 -4.875954      47.47164 
1 1 1 19  30 1  o 138.5390 16.54286 586.8529       131.7574 -288.2712      460.3409 664.9401       137.5101 81.41726 38.18462 147.7174 16.13482 -66.30018      41.45356 
1 1 1 19  30 2  f 51.94613 22.16149 9.043561       119.0895 -716.7979      432.8086 68.49865       123.8710 66.02923 32.42324 59.79040 23.71704 6.238831       40.17168 
1 1 1 19  30 3  f 106.7427 20.92552 360.8527       126.3133 11.99934       388.6392 402.0561       133.5647 87.28395 38.58531 112.8036 20.96052 -25.51968      43.91093 
1 1 1 19  30 4  o 54.78405 22.47334 40.39791       115.4163 -306.0302      401.0659 71.67728       120.5142 74.50252 35.15810 59.60449 23.47150 14.89803       42.27296 
1 1 1 19  30 5  o 150.1918 13.13471 679.6415       114.5327 341.8477       389.9129 711.5396       119.8184 107.4729 42.25001 153.6072 13.43541 -46.13422      44.33479 
1 1 1 19  30 6  o 31.98505 15.70479 -197.9847      101.4778 -178.8865      397.2270 -199.3181      104.9606 78.60023 36.39222 32.77967 16.06980 45.82056       39.78231 
1 1 1 19  30 7  o 224.8753 9.897326 1504.034       130.2102 1488.665       389.0128 1505.973       138.1808 210.1218 32.62531 224.8196 10.50912 -14.69777      34.27612 
1 1 1 19  30 8  o 161.4724 11.96728 783.0410       112.5243 1457.786       361.7283 710.7527       118.3985 209.2094 30.36806 153.3705 13.29414 55.83896       33.15047 
1 1 1 19  30 9  o 36.81162 17.43427 -109.9775      100.2971 0.000000       0.000000 -109.9775      100.2971 ?        ?        36.81162 17.43427 0.000000       17.43427 
1 1 1 19  30 10 f 91.29918 19.76979 266.9753       102.7856 -102.1638      361.9438 299.3563       107.1991 77.16043 35.36596 96.88004 19.54214 -19.71961      40.40602 
1 1 1 19  30 11 f 70.49194 21.45734 158.1376       96.64474 725.1116       347.9086 110.7281       100.6043 138.0739 40.40311 62.19528 22.03860 75.87863       46.02295 
1 1 1 19  30 12 o 38.61182 17.63218 -50.05762      88.87510 626.0046       341.1563 -99.27991      92.05364 127.7232 40.54917 35.34252 16.72781 92.38066       43.86405 
1 1 1 19  30 13 o 99.98820 16.41269 312.9848       92.90880 456.0438       343.7270 301.7089       96.50089 111.0921 40.56074 97.73851 17.47664 13.35362       44.16567 
1 1 1 19  30 14 o 322.0715 9.204674 3088.306       173.6863 3067.729       389.2439 3093.422       194.0790 310.8178 21.48554 321.7292 10.29906 -10.91138      23.82643 
1 1 1 19  30 15 o 155.6060 16.00670 748.9702       143.9949 831.3795       358.7710 733.1461       157.2130 145.2757 40.56347 152.9876 17.85736 -7.711990      44.32021 
1 1 1 19  30 16 f 70.53362 33.16694 -191.3206      351.2706 -191.3206      351.2706 0.000000       0.000000 70.53362 33.16694 ?        ?        0.000000       33.16694 
1 1 1 19  30 17 o 67.94878 32.26253 -241.6960      347.6966 -241.6960      347.6966 0.000000       0.000000 67.94878 32.26253 ?        ?        0.000000       32.26253 
1 1 1 19  30 18 o 73.28121 33.90196 -90.52686      343.6875 -90.52686      343.6875 0.000000       0.000000 73.28121 33.90196 ?        ?        0.000000       33.90196 
1 1 1 19  30 19 o 87.92966 37.33567 203.5652       335.2299 203.5652       335.2299 0.000000       0.000000 87.92966 37.33567 ?        ?        0.000000       37.33567 
1 1 1 19  30 20 o 156.5740 35.74059 943.9448       320.9450 943.9448       320.9450 0.000000       0.000000 156.5740 35.74059 ?        ?        0.000000       35.74059 
1 1 1 19  30 21 o 58.76463 28.30917 -285.2276      289.4880 -285.2276      289.4880 0.000000       0.000000 58.76463 28.30917 ?        ?        0.000000       28.30917 
1 1 1 19  30 22 o 73.40783 32.39399 64.66354       272.7733 64.66354       272.7733 0.000000       0.000000 73.40783 32.39399 ?        ?        0.000000       32.39399 
1 1 1 19  30 23 o 75.93681 32.74014 118.3578       265.0627 118.3578       265.0627 0.000000       0.000000 75.93681 32.74014 ?        ?        0.000000       32.74014 
1 1 1 19  30 24 o 90.91766 36.34029 307.1788       292.9984 307.1788       292.9984 0.000000       0.000000 90.91766 36.34029 ?        ?        0.000000       36.34029 
1 1 1 19  30 25 o 113.1372 38.65728 563.1432       308.0775 563.1432       308.0775 0.000000       0.000000 113.1372 38.65728 ?        ?        0.000000       38.65728 
1 1 1 19  30 26 o 59.45479 28.53640 -224.9927      287.9615 -224.9927      287.9615 0.000000       0.000000 59.45479 28.53640 ?        ?        0.000000       28.53640 
1 1 1 19  30 27 o 68.92301 31.67006 -12.22306      292.7474 -12.22306      292.7474 0.000000       0.000000 68.92301 31.67006 ?        ?        0.000000       31.67006 
1 1 1 19  30 28 o 61.89957 29.12550 -110.3208      271.6431 -110.3208      271.6431 0.000000       0.000000 61.89957 29.12550 ?        ?        0.000000       29.12550 
1 1 1 19  30 29 o 71.47144 32.48766 44.67731       297.3423 44.67731       297.3423 0.000000       0.000000 71.47144 32.48766 ?        ?        0.000000       32.48766 
1 1 1 19  30 30 o 65.82424 31.09654 -103.5568      315.3289 -103.5568      315.3289 0.000000       0.000000 65.82424 31.09654 ?        ?        0.000000       31.09654 
1 1 1 19  31 0  o 116.8651 18.94804 428.5954       125.4239 465.2954       422.3456 425.0458       131.3495 116.0018 44.41726 115.9407 20.04188 0.6115723E-01  48.72956 
1 1 1 19  31 1  o 197.1324 11.76546 1164.506       135.4057 1130.807       430.8549 1168.199       142.6325 173.6221 42.63109 197.2152 12.39450 -23.59309      44.39633 
1 1 1 19  31 2  o 88.71980 23.50344 256.7942       124.2263 -312.8234      416.6481 312.3723       130.1457 74.78721 35.45334 97.97219 23.03978 -23.18498      42.28204 
1 1 1 19  31 3  o 170.1803 12.77101 872.7288       126.5335 676.8594       384.0673 896.5774       134.0155 133.3670 43.09409 172.2829 13.36816 -38.91594      45.11993 
1 1 1 19  31 4  o 130.1813 16.42530 522.7183       122.6183 210.6061       408.0461 553.7000       128.5602 97.74691 41.33378 133.9141 16.73348 -36.16723      44.59249 
1 1 1 19  31 5  o 190.8861 11.47806 1092.246       127.9035 1480.747       416.6876 1051.833       134.3913 205.0784 35.95514 186.9991 12.32277 18.07928       38.00819 
1 1 1 19  31 6  o 232.2439 10.01230 1607.808       136.0528 1838.282       380.0541 1573.931       145.7092 236.0635 27.99594 229.4513 10.85875 6.612198       30.02808 
1 1 1 19  31 7  o 94.40502 20.12458 286.4842       108.0155 297.2737       352.9691 285.3694       113.4587 99.53642 39.85215 93.86826 21.12167 5.668167       45.10342 
1 1 1 19  31 8  o 239.2993 9.678991 1706.526       135.5579 1745.056       364.8491 1700.355       146.0101 229.5082 27.66319 238.5450 10.46212 -9.036804      29.57546 
1 1 1 19  31 9  o 120.5815 15.82852 450.1367       109.2362 0.000000       0.000000 450.1367       109.2362 ?        ?        120.5815 15.82852 0.000000       15.82852 
1 1 1 19  31 10 o 36.31071 17.19240 -104.3546      97.40820 -123.1557      328.1291 -102.5376      102.0065 71.75405 33.17088 37.58797 17.73581 34.16608       37.61470 
1 1 1 19  31 11 o 93.24490 19.94580 281.1302       105.7759 715.6235       348.7403 237.1087       111.0050 134.9989 40.69062 84.87823 22.08965 50.12067       46.29988 
1 1 1 19  31 12 o 65.18392 21.92105 130.8893       99.03588 0.000000       0.000000 130.8893       99.03588 ?        ?        65.18392 21.92105 0.000000       21.92105 
1 1 1 19  31 13 o 204.8239 9.895439 1254.900       118.5167 1116.240       343.8222 1273.598       126.2546 175.2766 34.67563 206.1025 10.47952 -30.82587      36.22457 
1 1 1 19  31 14 f 77.45052 28.54610 183.6342       170.8888 28.53343       354.0162 230.7543       195.1280 80.56476 36.13993 84.33694 30.59483 -3.772179      47.35122 
1 1 1 19  31 15 o 129.9826 41.93845 698.5864       363.8302 698.5864       363.8302 0.000000       0.000000 129.9826 41.93845 ?        ?        0.000000       41.93845 
1 1 1 19  31 16 o 80.87847 36.57357 26.45541       370.9655 26.45541       370.9655 0.000000       0.000000 80.87847 36.57357 ?        ?        0.000000       36.57357 
1 1 1 19  31 17 o 65.97549 31.82363 -335.9986      368.6369 -335.9986      368.6369 0.000000       0.000000 65.97549 31.82363 ?        ?        0.000000       31.82363 
1 1 1 19  31 18 o 94.05437 38.51326 302.6781       338.1925 302.6781       338.1925 0.000000       0.000000 94.05437 38.51326 ?        ?        0.000000       38.51326 
1 1 1 19  31 19 o 139.9851 38.65680 802.8366       327.8138 802.8366       327.8138 0.000000       0.000000 139.9851 38.65680 ?        ?        0.000000       38.65680 
1 1 1 19  31 20 o 112.3040 38.60191 526.9202       307.3110 526.9202       307.3110 0.000000       0.000000 112.3040 38.60191 ?        ?        0.000000       38.60191 
1 1 1 19  31 21 o 91.56240 36.68695 302.5155       299.3583 302.5155       299.3583 0.000000       0.000000 91.56240 36.68695 ?        ?        0.000000       36.68695 
1 1 1 19  31 22 o 66.43152 30.71990 -62.88634      281.7516 -62.88634      281.7516 0.000000       0.000000 66.43152 30.71990 ?        ?        0.000000       30.71990 
1 1 1 19  31 23 o 130.0400 35.98458 694.7801       283.7330 694.7801       283.7330 0.000000       0.000000 130.0400 35.98458 ?        ?        0.000000       35.98458 
1 1 1 19  31 24 o 84.74719 35.55666 238.1055       298.2005 238.1055       298.2005 0.000000       0.000000 84.74719 35.55666 ?        ?        0.000000       35.55666 
1 1 1 19  31 25 o 158.3633 33.58936 986.1601       302.2841 986.1601       302.2841 0.000000       0.000000 158.3633 33.58936 ?        ?        0.000000       33.58936 
1 1 1 19  31 26 o 68.27845 31.37644 -11.17572      287.4254 -11.17572      287.4254 0.000000       0.000000 68.27845 31.37644 ?        ?        0.000000       31.37644 
1 1 1 19  31 27 o 114.6533 39.85660 624.1636       327.9822 624.1636       327.9822 0.000000       0.000000 114.6533 39.85660 ?        ?        0.000000       39.85660 
1 1 1 19  31 28 o 95.25650 37.36742 396.8083       304.4399 396.8083       304.4399 0.000000       0.000000 95.25650 37.36742 ?        ?        0.000000       37.36742 
1 1 1 19  31 29 o 67.37966 31.63420 -65.29739      317.3771 -65.29739      317.3771 0.000000       0.000000 67.37966 31.63420 ?        ?        0.000000       31.63420 
1 1 1 19  32 0  o 167.5324 13.70898 852.7956       133.5191 1114.968       427.6792 824.4835       140.5437 168.6604 43.08603 164.2645 14.74545 4.395905       45.53936 
1 1 1 19  32 1  o 232.8772 10.99829 1624.452       149.7869 1131.673       437.9659 1689.726       159.3990 169.0971 43.81171 237.2940 11.48790 -68.19691      45.29279 
1 1 1 19  32 2  o 56.92167 23.27852 52.68805       123.3571 -176.2118      419.6184 74.34106       129.0598 78.58198 36.72571 60.40305 24.12690 18.17892       43.94184 
1 1 1 19  32 3  o 47.74130 20.97679 -13.94214      113.2351 38.76707       427.7819 -17.91363      117.4236 88.15244 39.62046 48.21563 21.26646 39.93681       44.96714 
1 1 1 19  32 4  o 155.5932 13.49028 736.1125       121.8859 326.8435       387.2463 781.1163       128.4126 101.9693 41.41551 160.1785 13.80405 -58.20915      43.65543 
1 1 1 19  32 5  o 179.8020 12.23273 975.8181       128.2255 194.0814       362.2578 1087.790       137.1015 91.82906 38.89379 189.8133 12.38348 -97.98425      40.81761 
1 1 1 19  32 6  o 159.2874 13.33943 771.3021       123.4713 605.2208       369.3820 792.1931       131.0069 123.5775 42.32628 161.1589 13.99959 -37.58137      44.58141 
1 1 1 19  32 7  o 135.2938 15.16638 564.1332       118.2711 208.4190       358.8580 607.4794       125.2701 92.12658 38.84975 140.3112 15.48016 -48.18465      41.82031 
1 1 1 19  32 8  o 91.76797 20.45743 274.1136       107.2901 34.22096       349.2668 299.1094       112.7412 81.00585 36.14869 95.86674 20.66188 -14.86089      41.63701 
1 1 1 19  32 9  o 101.2814 19.11545 329.2082       109.3827 39.31009       349.6722 360.6526       115.1622 81.08005 36.17654 106.0734 19.21945 -24.99339      40.96497 
1 1 1 19  32 10 o 155.2519 13.19481 734.1973       119.0038 753.5161       353.4857 731.7279       126.3810 137.0851 40.88564 154.5872 14.09470 -17.50212      43.24691 
1 1 1 19  32 11 o 68.57831 22.98596 147.9775       108.8988 1018.654       356.8170 58.54954       114.3547 163.4036 37.96044 55.82675 22.56707 107.5768       44.16183 
1 1 1 19  32 12 o 45.34518 19.84878 -8.127952      100.5267 224.5977       343.4690 -29.93142      105.1304 90.97632 38.16452 44.14989 19.75788 46.82643       42.97563 
1 1 1 19  32 13 o 137.6615 12.42200 577.0394       99.21145 414.7329       339.4306 592.2009       103.7418 104.5197 39.86876 139.2966 12.84332 -34.77691      41.88638 
1 1 1 19  32 14 o 132.6550 40.79901 729.7852       348.2448 729.7852       348.2448 0.000000       0.000000 132.6550 40.79901 ?        ?        0.000000       40.79901 
1 1 1 19  32 15 o 73.22350 33.68029 -52.11889      332.2575 -52.11889      332.2575 0.000000       0.000000 73.22350 33.68029 ?        ?        0.000000       33.68029 
1 1 1 19  32 16 o 79.24932 35.28073 77.68836       330.6498 77.68836       330.6498 0.000000       0.000000 79.24932 35.28073 ?        ?        0.000000       35.28073 
1 1 1 19  32 17 o 90.28976 38.51708 244.1811       359.6897 244.1811       359.6897 0.000000       0.000000 90.28976 38.51708 ?        ?        0.000000       38.51708 
1 1 1 19  32 18 o 106.0799 40.47103 474.1922       349.8026 474.1922       349.8026 0.000000       0.000000 106.0799 40.47103 ?        ?        0.000000       40.47103 
1 1 1 19  32 19 o 105.9792 39.47562 475.7151       328.3635 475.7151       328.3635 0.000000       0.000000 105.9792 39.47562 ?        ?        0.000000       39.47562 
1 1 1 19  32 20 o 69.99925 32.01544 -15.78428      294.5172 -15.78428      294.5172 0.000000       0.000000 69.99925 32.01544 ?        ?        0.000000       32.01544 
1 1 1 19  32 21 o 99.60994 37.76176 414.1534       303.3397 414.1534       303.3397 0.000000       0.000000 99.60994 37.76176 ?        ?        0.000000       37.76176 
1 1 1 19  32 22 o 92.69650 36.76066 339.8589       297.5175 339.8589       297.5175 0.000000       0.000000 92.69650 36.76066 ?        ?        0.000000       36.76066 
1 1 1 19  32 23 o 64.76106 30.82639 -168.2408      321.4448 -168.2408      321.4448 0.000000       0.000000 64.76106 30.82639 ?        ?        0.000000       30.82639 
1 1 1 19  32 24 o 60.04252 28.98351 -256.7053      307.1645 -256.7053      307.1645 0.000000       0.000000 60.04252 28.98351 ?        ?        0.000000       28.98351 
1 1 1 19  32 25 o 105.0617 38.25225 502.0370       305.4076 502.0370       305.4076 0.000000       0.000000 105.0617 38.25225 ?        ?        0.000000       38.25225 
1 1 1 19  32 26 o 80.24044 35.31891 178.9446       322.3209 178.9446       322.3209 0.000000       0.000000 80.24044 35.31891 ?        ?        0.000000       35.31891 
1 1 1 19  32 27 o 74.31120 33.21223 102.4647       296.0256 102.4647       296.0256 0.000000       0.000000 74.31120 33.21223 ?        ?        0.000000       33.21223 
1 1 1 19  32 28 o 59.74040 29.05302 -286.3038      323.7570 -286.3038      323.7570 0.000000       0.000000 59.74040 29.05302 ?        ?        0.000000       29.05302 
1 1 1 19  33 0  o 52.35804 23.18250 -18.85008      140.8300 -117.9815      409.9212 -5.583866      149.9575 78.85503 36.66759 55.08204 24.17293 23.77299       43.91859 
1 1 1 19  33 1  o 46.83960 21.44561 -67.64012      132.6140 -386.8778      410.9538 -30.53241      140.1096 69.69701 33.61420 51.23278 22.87672 18.46422       40.66028 
1 1 1 19  33 2  o 123.7138 19.78527 489.9740       138.7178 244.5922       412.6195 521.2416       147.2908 96.36071 41.18439 127.3456 20.41077 -30.98488      45.96471 
1 1 1 19  33 3  o 284.9091 10.07301 2427.470       168.0475 2032.128       415.7393 2504.680       183.7259 243.2951 29.75499 288.9558 10.86081 -45.66068      31.67517 
1 1 1 19  33 4  o 100.1071 21.83085 329.8727       124.5505 -397.5307      358.4313 429.7671       132.8278 63.99919 30.99388 115.3634 20.37720 -51.36421      37.09246 
1 1 1 19  33 5  o 119.9402 18.77084 458.0027       127.7114 27.80120       354.9648 521.9709       136.8774 80.58144 36.16462 128.1906 18.76187 -47.60911      40.74172 
1 1 1 19  33 6  o 83.97992 22.63717 234.6906       114.0055 330.3494       375.1471 224.9574       119.6650 99.74169 40.66905 82.08981 23.60054 17.65188       47.02081 
1 1 1 19  33 7  o 197.2635 11.23562 1172.045       129.4478 1356.667       384.7733 1148.482       137.4603 192.0124 35.47490 194.8609 12.08776 -2.848526      37.47776 
1 1 1 19  33 8  o 55.11079 22.28665 56.97594       111.5810 -89.32956      327.6488 76.16967       118.6747 72.10123 33.26559 58.64661 23.22991 13.45462       40.57374 
1 1 1 19  33 9  o 135.2039 14.78413 564.8950       115.3205 474.5046       340.1922 576.6304       122.5782 109.8086 40.30980 136.2181 15.62622 -26.40949      43.23261 
1 1 1 19  33 10 f 188.7930 32.82420 1288.667       350.2512 1288.667       350.2512 0.000000       0.000000 188.7930 32.82420 ?        ?        0.000000       32.82420 
1 1 1 19  33 11 o 118.4221 18.04949 447.0120       121.3995 461.3002       343.5118 444.9727       129.7738 107.6298 40.31846 117.3738 19.53893 -9.744072      44.80343 
1 1 1 19  33 12 o 172.2774 12.88721 906.1342       129.2644 1414.364       344.4920 822.8496       139.4542 199.5610 30.39260 163.1422 14.73385 36.41888       33.77568 
1 1 1 19  33 13 o 80.97504 36.13600 85.22028       349.0488 85.22028       349.0488 0.000000       0.000000 80.97504 36.13600 ?        ?        0.000000       36.13600 
1 1 1 19  33 14 o 130.2709 41.06334 732.8456       350.4243 732.8456       350.4243 0.000000       0.000000 130.2709 41.06334 ?        ?        0.000000       41.06334 
1 1 1 19  33 15 o 64.71404 31.30155 -331.5840      362.7512 -331.5840      362.7512 0.000000       0.000000 64.71404 31.30155 ?        ?        0.000000       31.30155 
1 1 1 19  33 16 o 90.63120 38.86779 256.0012       369.8028 256.0012       369.8028 0.000000       0.000000 90.63120 38.86779 ?        ?        0.000000       38.86779 
1 1 1 19  33 17 o 87.22840 37.41663 224.8191       342.8434 224.8191       342.8434 0.000000       0.000000 87.22840 37.41663 ?        ?        0.000000       37.41663 
1 1 1 19  33 18 o 81.51643 35.54093 159.0914       319.5482 159.0914       319.5482 0.000000       0.000000 81.51643 35.54093 ?        ?        0.000000       35.54093 
1 1 1 19  33 19 o 191.3269 31.70388 1372.514       343.2977 1372.514       343.2977 0.000000       0.000000 191.3269 31.70388 ?        ?        0.000000       31.70388 
1 1 1 19  33 20 o 65.81583 30.91365 -108.6309      303.6642 -108.6309      303.6642 0.000000       0.000000 65.81583 30.91365 ?        ?        0.000000       30.91365 
1 1 1 19  33 21 o 67.58652 31.77503 -97.03130      322.1342 -97.03130      322.1342 0.000000       0.000000 67.58652 31.77503 ?        ?        0.000000       31.77503 
1 1 1 19  33 22 o 115.0236 39.86932 614.7420       328.0790 614.7420       328.0790 0.000000       0.000000 115.0236 39.86932 ?        ?        0.000000       39.86932 
1 1 1 19  33 23 o 60.69984 29.31789 -253.8889      315.4153 -253.8889      315.4153 0.000000       0.000000 60.69984 29.31789 ?        ?        0.000000       29.31789 
1 1 1 19  33 24 o 73.60253 33.41221 67.61090       313.2286 67.61090       313.2286 0.000000       0.000000 73.60253 33.41221 ?        ?        0.000000       33.41221 
1 1 1 19  33 25 o 75.87205 34.03174 113.3376       313.8395 113.3376       313.8395 0.000000       0.000000 75.87205 34.03174 ?        ?        0.000000       34.03174 
1 1 1 19  33 26 o 81.88226 34.89372 228.3976       294.6508 228.3976       294.6508 0.000000       0.000000 81.88226 34.89372 ?        ?        0.000000       34.89372 
1 1 1 19  34 0  o 76.43871 26.41842 189.2713       144.0065 0.000000       0.000000 189.2713       144.0065 ?        ?        76.43871 26.41842 0.000000       26.41842 
1 1 1 19  34 1  o 121.4442 20.84649 479.6615       143.1317 46.71677       431.9330 533.0673       151.7031 86.16468 39.16240 128.1220 20.90976 -41.95736      44.39495 
1 1 1 19  34 2  o 122.7820 20.15625 487.2165       140.1106 175.0403       408.4201 528.8559       149.1625 90.90952 39.89464 127.7632 20.60789 -36.85371      44.90287 
1 1 1 19  34 3  f 103.5773 22.25027 356.2810       131.1281 -236.5210      384.7972 434.1646       139.4763 71.26656 33.86726 115.0505 21.46020 -43.78390      40.09404 
1 1 1 19  34 4  o 92.36790 22.54837 285.6399       121.0641 -4.751986      381.8871 318.0845       127.6481 80.18896 36.59218 97.46664 22.74767 -17.27768      43.08647 
1 1 1 19  34 5  o 67.30142 23.85261 138.6863       117.8523 576.0258       374.7783 90.69466       124.1504 117.0664 42.41042 61.05091 23.88812 56.01549       48.67532 
1 1 1 19  34 6  o 170.5487 13.02587 887.7857       129.3026 950.1414       376.0321 879.4241       137.6994 151.7717 41.19850 169.2300 13.99920 -17.45830      43.51200 
1 1 1 19  34 7  o 72.01242 24.15715 168.3762       120.2764 199.8370       344.7771 164.0169       128.3390 88.11823 37.65376 71.68156 24.93105 16.43667       45.15931 
1 1 1 19  34 8  o 143.1658 15.15780 636.9849       125.3391 1044.900       353.4108 578.2950       134.0529 163.2118 37.68330 135.2130 17.30052 27.99878       41.46492 
1 1 1 19  34 9  o 55.39505 22.23729 63.96615       110.2008 -375.6679      311.9747 126.6423       117.7945 58.45499 28.44863 65.13110 23.74989 -6.676113      37.05917 
1 1 1 19  34 10 o 76.93089 24.39378 200.1654       123.4987 560.5473       315.7659 135.0840       134.1875 115.8377 39.14276 67.52655 25.21889 48.31111       46.56338 
1 1 1 19  34 11 o 40.61206 19.29874 -127.9383      124.9193 407.3810       318.0786 -225.5618      135.8330 101.1971 38.59610 37.74009 18.45514 63.45704       42.78144 
1 1 1 19  34 12 o 125.7387 18.12018 507.4586       129.7712 606.3447       332.4711 489.6853       140.9518 118.6208 40.16442 122.1308 20.39750 -3.510025      45.04708 
1 1 1 19  34 13 o 80.91139 35.58273 127.0002       326.4859 127.0002       326.4859 0.000000       0.000000 80.91139 35.58273 ?        ?        0.000000       35.58273 
1 1 1 19  34 14 o 132.6360 43.28717 814.4023       386.9776 814.4023       386.9776 0.000000       0.000000 132.6360 43.28717 ?        ?        0.000000       43.28717 
1 1 1 19  34 15 o 104.4848 41.92517 479.7762       391.5357 479.7762       391.5357 0.000000       0.000000 104.4848 41.92517 ?        ?        0.000000       41.92517 
1 1 1 19  34 16 o 92.95308 39.03255 322.1347       359.8233 322.1347       359.8233 0.000000       0.000000 92.95308 39.03255 ?        ?        0.000000       39.03255 
1 1 1 19  34 17 o 87.02730 37.34177 244.6007       341.6672 244.6007       341.6672 0.000000       0.000000 87.02730 37.34177 ?        ?        0.000000       37.34177 
1 1 1 19  34 18 o 75.09978 34.15226 49.74800       329.0525 49.74800       329.0525 0.000000       0.000000 75.09978 34.15226 ?        ?        0.000000       34.15226 
1 1 1 19  34 19 o 69.47958 32.72879 -93.56915      344.7321 -93.56915      344.7321 0.000000       0.000000 69.47958 32.72879 ?        ?        0.000000       32.72879 
1 1 1 19  34 20 o 55.50811 27.47411 -498.5468      332.4599 -498.5468      332.4599 0.000000       0.000000 55.50811 27.47411 ?        ?        0.000000       27.47411 
1 1 1 19  34 21 o 125.9824 40.74979 751.3068       343.3632 751.3068       343.3632 0.000000       0.000000 125.9824 40.74979 ?        ?        0.000000       40.74979 
1 1 1 19  34 22 o 68.74580 32.42811 -83.21281      340.5576 -83.21281      340.5576 0.000000       0.000000 68.74580 32.42811 ?        ?        0.000000       32.42811 
1 1 1 19  34 23 o 60.91261 29.57577 -280.8903      331.9367 -280.8903      331.9367 0.000000       0.000000 60.91261 29.57577 ?        ?        0.000000       29.57577 
1 1 1 19  34 24 o 50.50384 25.35459 -687.6119      329.3251 -687.6119      329.3251 0.000000       0.000000 50.50384 25.35459 ?        ?        0.000000       25.35459 
1 1 1 19  34 25 o 77.76502 35.06248 138.7234       338.0353 138.7234       338.0353 0.000000       0.000000 77.76502 35.06248 ?        ?        0.000000       35.06248 
1 1 1 19  35 0  o 82.76946 25.58835 235.8252       136.7720 805.2462       447.6797 177.2050       143.6397 130.0673 46.44811 74.06043 26.32473 56.00689       53.38931 
1 1 1 19  35 1  o 49.21287 22.37377 -50.68367      141.1012 -4.858393      452.8366 -55.61131      148.4939 83.57138 38.75024 50.16142 22.86217 33.40996       44.99178 
1 1 1 19  35 2  o 68.62920 25.80673 138.7013       141.0194 0.000000       0.000000 138.7013       141.0194 ?        ?        68.62920 25.80673 0.000000       25.80673 
1 1 1 19  35 3  o 69.59512 24.74186 152.8256       126.8904 208.6465       396.4975 146.4562       133.9342 90.04215 39.41661 69.11845 25.30573 20.92370       46.84068 
1 1 1 19  35 4  o 45.06776 20.54037 -50.75474      119.8595 -131.9026      380.8525 -41.83391      126.2760 73.36974 34.51140 47.07236 21.30724 26.29738       40.55903 
1 1 1 19  35 5  o 130.6378 16.97218 541.1356       126.9631 129.9255       390.3949 589.7719       134.2617 85.25787 38.12001 136.3368 17.17152 -51.07893      41.80905 
1 1 1 19  35 6  o 66.67202 24.35298 135.4947       123.9295 -23.99578      351.9937 158.0626       132.4075 75.26247 34.63563 70.49294 25.25046 4.769531       42.86271 
1 1 1 19  35 7  o 212.2319 11.98663 1370.183       148.5899 947.5200       340.5930 1469.538       165.1335 152.6530 38.15216 219.1936 12.90274 -66.54066      40.27491 
1 1 1 19  35 8  f 170.6632 14.15258 900.6270       140.3803 473.0799       339.3829 988.8762       154.1890 105.9668 39.99390 178.4047 14.87171 -72.43790      42.66942 
1 1 1 19  35 9  o 96.38004 23.12436 318.0945       129.0347 407.7079       336.9743 302.6968       139.6811 100.4559 39.34118 92.98060 25.05416 7.475327       46.64160 
1 1 1 19  35 10 o 78.11169 25.98800 209.7683       139.2426 109.0197       328.0233 231.9126       153.7857 79.69434 35.32851 81.44184 27.31572 -1.747505      44.65705 
1 1 1 19  35 11 o 70.04781 26.14754 152.4967       144.2163 338.3057       335.1032 110.2596       159.7689 94.46306 38.46707 66.25488 26.71285 28.20818       46.83259 
1 1 1 19  35 12 o 126.9775 41.15780 726.4311       350.1638 726.4311       350.1638 0.000000       0.000000 126.9775 41.15780 ?        ?        0.000000       41.15780 
1 1 1 19  35 13 f 69.31364 32.69535 -124.7478      346.1645 -124.7478      346.1645 0.000000       0.000000 69.31364 32.69535 ?        ?        0.000000       32.69535 
1 1 1 19  35 14 o 77.80135 35.29890 71.15869       349.0152 71.15869       349.0152 0.000000       0.000000 77.80135 35.29890 ?        ?        0.000000       35.29890 
1 1 1 19  35 15 o 79.30959 35.43015 121.4579       336.4794 121.4579       336.4794 0.000000       0.000000 79.30959 35.43015 ?        ?        0.000000       35.43015 
1 1 1 19  35 16 o 62.87854 30.63050 -341.5546      364.0410 -341.5546      364.0410 0.000000       0.000000 62.87854 30.63050 ?        ?        0.000000       30.63050 
1 1 1 19  35 17 o 63.82038 30.79795 -250.9184      346.1979 -250.9184      346.1979 0.000000       0.000000 63.82038 30.79795 ?        ?        0.000000       30.79795 
1 1 1 19  35 18 o 87.60342 37.77935 273.5166       353.1024 273.5166       353.1024 0.000000       0.000000 87.60342 37.77935 ?        ?        0.000000       37.77935 
1 1 1 19  35 19 o 121.4449 39.87186 690.5657       328.1025 690.5657       328.1025 0.000000       0.000000 121.4449 39.87186 ?        ?        0.000000       39.87186 
1 1 1 19  35 20 o 104.8607 40.71017 539.9869       358.3221 539.9869       358.3221 0.000000       0.000000 104.8607 40.71017 ?        ?        0.000000       40.71017 
1 1 1 19  35 21 o 70.48456 33.28239 -66.20467      360.4268 -66.20467      360.4268 0.000000       0.000000 70.48456 33.28239 ?        ?        0.000000       33.28239 
1 1 1 19  35 22 o 68.16931 32.86606 -194.6268      392.0510 -194.6268      392.0510 0.000000       0.000000 68.16931 32.86606 ?        ?        0.000000       32.86606 
1 1 1 19  35 23 o 63.97442 30.86319 -213.8429      347.0462 -213.8429      347.0462 0.000000       0.000000 63.97442 30.86319 ?        ?        0.000000       30.86319 
1 1 1 19  36 0  o 78.13285 26.50903 209.8925       144.8352 30.67196       424.7896 233.4680       154.0671 81.71217 37.76283 81.60407 27.34032 0.1081009      46.62107 
1 1 1 19  36 1  o 102.6546 23.94175 364.2578       141.4814 320.0606       414.7112 370.0794       150.5111 95.07413 40.97148 102.7043 25.18405 -7.630196      48.09260 
1 1 1 19  36 2  o 56.89115 23.75952 53.17398       132.2246 168.5197       403.7532 39.31717       139.9416 86.77177 38.78395 56.54541 24.07029 30.22637       45.64618 
1 1 1 19  36 3  o 54.03922 23.34566 20.98508       135.3011 -181.6433      406.6234 46.21286       143.4768 72.70152 34.62434 57.72924 24.46525 14.97227       42.39568 
1 1 1 19  36 4  o 135.6775 18.58143 594.3826       143.9752 0.000000       0.000000 594.3826       143.9752 ?        ?        135.6775 18.58143 0.000000       18.58143 
1 1 1 19  36 5  o 38.28376 18.55562 -182.9011      129.1551 -186.8308      376.6595 -182.3774      137.4907 70.03722 33.34666 39.99107 19.32562 30.04615       38.54192 
1 1 1 19  36 6  o 40.52715 19.45274 -157.9783      133.8515 36.14524       349.8337 -191.2706      144.8753 76.95837 35.08141 40.95691 19.80342 36.00147       40.28500 
1 1 1 19  36 7  o 121.6025 23.04805 503.5435       158.3573 243.9022       380.5970 557.9032       174.1473 89.17560 38.83535 127.2582 24.21805 -38.08257      45.76788 
1 1 1 19  36 8  o 96.92422 26.42659 337.5728       154.3185 637.7488       395.3242 283.6088       167.6168 115.4609 43.25229 88.17574 28.46710 27.28515       51.77969 
1 1 1 19  36 9  o 105.3403 24.01360 386.2157       145.0468 71.14978       373.9997 441.9940       157.3632 79.63329 36.29000 112.5201 24.53919 -32.88686      43.80795 
1 1 1 19  36 10 o 145.2299 19.71303 692.0354       163.5728 886.9323       372.0161 645.3256       182.1223 138.6036 42.07998 137.2823 23.46251 1.321365       48.17898 
1 1 1 19  36 11 o 55.65035 24.51628 9.911541       155.6149 370.9115       359.9306 -73.08125      172.5780 95.29453 39.44839 52.13333 24.08482 43.16120       46.21963 
1 1 1 19  36 12 o 120.1249 42.06487 694.6852       365.7092 694.6852       365.7092 0.000000       0.000000 120.1249 42.06487 ?        ?        0.000000       42.06487 
1 1 1 19  36 13 o 121.6841 41.52733 706.9986       355.5005 706.9986       355.5005 0.000000       0.000000 121.6841 41.52733 ?        ?        0.000000       41.52733 
1 1 1 19  36 14 o 85.31720 36.67621 243.7246       330.7509 243.7246       330.7509 0.000000       0.000000 85.31720 36.67621 ?        ?        0.000000       36.67621 
1 1 1 19  36 15 o 79.11400 35.22182 143.1117       329.5785 143.1117       329.5785 0.000000       0.000000 79.11400 35.22182 ?        ?        0.000000       35.22182 
1 1 1 19  36 16 o 83.33201 36.02976 223.0043       322.7828 223.0043       322.7828 0.000000       0.000000 83.33201 36.02976 ?        ?        0.000000       36.02976 
1 1 1 19  36 17 o 107.0174 41.86060 577.7746       381.1359 577.7746       381.1359 0.000000       0.000000 107.0174 41.86060 ?        ?        0.000000       41.86060 
1 1 1 19  36 18 o 104.2562 41.79592 554.8361       388.7611 554.8361       388.7611 0.000000       0.000000 104.2562 41.79592 ?        ?        0.000000       41.79592 
1 1 1 19  36 19 o 66.96409 32.55219 -266.4926      405.2727 -266.4926      405.2727 0.000000       0.000000 66.96409 32.55219 ?        ?        0.000000       32.55219 
1 1 1 19  36 20 o 71.74518 34.30539 -108.3003      407.5883 -108.3003      407.5883 0.000000       0.000000 71.74518 34.30539 ?        ?        0.000000       34.30539 
1 1 1 19  36 21 o 82.55708 37.33577 198.5844       386.6844 198.5844       386.6844 0.000000       0.000000 82.55708 37.33577 ?        ?        0.000000       37.33577 
1 1 1 19  37 0  o 46.75365 21.74090 -84.70033      144.1204 -90.42964      403.8571 -83.86423      154.2784 74.61462 35.23198 48.57767 22.55663 26.03695       41.83412 
1 1 1 19  37 1  o 60.68128 25.10276 75.92291       145.6125 313.1453       408.9740 41.48544       155.8237 92.85786 40.35004 58.54673 25.17108 34.31114       47.55743 
1 1 1 19  37 2  o 110.9732 24.03149 428.6649       151.8676 473.3739       406.2861 421.4035       163.7367 102.3832 42.09995 108.5123 26.05765 -6.129066      49.51169 
1 1 1 19  37 3  o 52.48282 23.22986 -2.660034      141.2888 -272.5851      385.8989 39.12484       151.8314 67.19895 32.44997 57.77106 24.84219 9.427887       40.86729 
1 1 1 19  37 4  o 59.94087 24.75388 74.52328       141.2629 -216.8773      373.8247 123.0664       152.5761 67.88624 32.56495 66.52599 26.34331 1.360252       41.88610 
1 1 1 19  37 5  o 54.26425 23.79667 11.95551       145.0868 177.0877       374.0811 -17.28300      157.4082 84.06944 37.47014 53.69946 24.09277 30.36998       44.54743 
1 1 1 19  37 6  o 123.5345 25.80459 542.8333       180.9157 0.000000       0.000000 542.8333       180.9157 ?        ?        123.5345 25.80459 0.000000       25.80459 
1 1 1 19  37 7  o 67.75496 30.93917 -5.397359      273.6061 -29.12117      413.5466 13.07147       364.8817 76.83672 36.08562 75.53862 34.94115 1.298096       50.23003 
1 1 1 19  37 8  o 214.0464 16.27385 1452.125       202.7596 1435.262       409.3715 1457.607       233.3990 183.3817 39.24889 211.6325 19.00693 -28.25075      43.60892 
1 1 1 19  37 9  o 93.04651 26.73386 317.7688       153.5945 1078.120       387.3868 175.9438       167.3070 152.9035 41.94370 73.29208 27.98254 79.61146       50.42119 
1 1 1 19  37 10 o 92.62572 28.79619 324.9202       172.9386 43.94666       397.7559 390.4164       192.0400 78.16996 36.27037 100.3636 30.18290 -22.19363      47.18630 
1 1 1 19  37 11 o 132.5240 20.33705 586.9587       153.0240 907.1204       394.7353 530.3345       166.0053 134.2220 43.71312 123.1173 23.85235 11.10479       49.79730 
1 1 1 19  37 12 o 54.75761 27.32870 -627.5819      357.2849 -627.5819      357.2849 0.000000       0.000000 54.75761 27.32870 ?        ?        0.000000       27.32870 
1 1 1 19  37 13 o 69.68766 32.82547 -75.21105      346.7087 -75.21105      346.7087 0.000000       0.000000 69.68766 32.82547 ?        ?        0.000000       32.82547 
1 1 1 19  37 14 o 64.09077 31.08273 -273.4173      363.8333 -273.4173      363.8333 0.000000       0.000000 64.09077 31.08273 ?        ?        0.000000       31.08273 
1 1 1 19  37 15 o 74.99285 34.79549 35.85799       366.0365 35.85799       366.0365 0.000000       0.000000 74.99285 34.79549 ?        ?        0.000000       34.79549 
1 1 1 19  37 16 o 66.34834 31.95492 -195.3573      368.3329 -195.3573      368.3329 0.000000       0.000000 66.34834 31.95492 ?        ?        0.000000       31.95492 
1 1 1 19  37 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  37 18 o 76.46754 36.25344 -5.154352      435.8702 -5.154352      435.8702 0.000000       0.000000 76.46754 36.25344 ?        ?        0.000000       36.25344 
1 1 1 19  37 19 o 102.8772 42.60759 575.6219       420.1642 575.6219       420.1642 0.000000       0.000000 102.8772 42.60759 ?        ?        0.000000       42.60759 
1 1 1 19  38 0  o 79.93934 29.69946 230.2365       185.6349 -172.2783      389.3885 348.6252       211.1774 69.59570 33.34546 93.65315 32.00539 -24.05746      46.21974 
1 1 1 19  38 1  o 51.15265 23.46255 -52.93150      159.6939 -383.0472      390.3143 13.43911       175.0126 63.54208 31.11699 58.13800 25.78717 5.404079       40.41343 
1 1 1 19  38 2  f 59.63648 25.46156 56.66171       157.4088 -353.3294      398.3141 132.5418       171.3572 64.96761 31.73377 68.49436 27.64730 -3.526756      42.08807 
1 1 1 19  38 3  o 100.1185 26.29856 366.8825       156.3815 17.68608       398.1922 430.5629       170.0438 76.97119 35.90784 108.2047 26.90854 -31.23354      44.87140 
1 1 1 19  38 4  o 55.77293 24.54986 15.94471       155.7397 -344.8452      394.1149 82.70892       169.5382 64.79090 31.62980 63.35392 26.70896 1.436977       41.39822 
1 1 1 19  38 5  o 47.95954 22.39939 -90.97591      155.6734 -307.7379      393.0249 -50.64055      169.5398 65.62824 31.93770 52.71836 24.17859 12.90989       40.05772 
1 1 1 19  38 6  o 65.95155 30.02508 4.661037       255.2081 440.0362       387.7816 -327.9921      338.9622 97.53797 40.70841 60.42251 29.46122 37.11546       50.25076 
1 1 1 19  38 7  o 57.20646 27.41255 -196.4261      263.3206 -318.9371      378.6171 -81.65419      366.4634 64.00339 31.19163 70.74886 33.45307 -6.745468      45.73867 
1 1 1 19  38 8  o 55.76908 25.30441 -24.22605      179.3915 0.000000       0.000000 -24.22605      179.3915 ?        ?        55.76908 25.30441 0.000000       25.30441 
1 1 1 19  38 9  o 79.27653 27.73449 229.2930       158.9547 341.0961       427.2914 211.3357       171.2449 91.59994 40.47752 77.06857 28.54523 14.53137       49.53039 
1 1 1 19  38 10 o 69.95825 28.02514 147.9983       174.6526 -423.9052      379.2394 301.9449       196.7601 61.13623 30.08580 87.92529 30.84972 -26.78905      43.09130 
1 1 1 19  38 11 o 95.89764 39.93999 424.9648       372.1378 424.9648       372.1378 0.000000       0.000000 95.89764 39.93999 ?        ?        0.000000       39.93999 
1 1 1 19  38 12 o 70.44460 33.69964 -126.4136      394.3371 -126.4136      394.3371 0.000000       0.000000 70.44460 33.69964 ?        ?        0.000000       33.69964 
1 1 1 19  38 13 o 67.37531 32.66193 -232.8527      400.6484 -232.8527      400.6484 0.000000       0.000000 67.37531 32.66193 ?        ?        0.000000       32.66193 
1 1 1 19  38 14 o 59.79299 29.63675 -502.0781      391.9521 -502.0781      391.9521 0.000000       0.000000 59.79299 29.63675 ?        ?        0.000000       29.63675 
1 1 1 19  38 15 o 129.9476 44.60547 927.3891       410.2925 927.3891       410.2925 0.000000       0.000000 129.9476 44.60547 ?        ?        0.000000       44.60547 
1 1 1 19  38 16 o 81.36595 37.35498 165.0879       406.0615 165.0879       406.0615 0.000000       0.000000 81.36595 37.35498 ?        ?        0.000000       37.35498 
1 1 1 19  38 17 o 76.03741 35.78951 35.06181       410.7676 35.06181       410.7676 0.000000       0.000000 76.03741 35.78951 ?        ?        0.000000       35.78951 
1 1 1 19  39 0  o 75.10054 30.13451 187.3588       202.2784 919.0654       404.5343 -56.57943      233.5752 131.4578 44.30440 60.02053 27.83022 71.43729       52.32018 
1 1 1 19  39 1  o 108.2544 27.16232 438.1048       172.1457 770.1166       415.4639 369.2899       189.1463 118.0399 44.31490 96.67490 30.12490 21.36504       53.58469 
1 1 1 19  39 2  o 243.2970 13.01598 1834.172       185.0464 1511.706       418.5415 1912.520       206.3051 184.2075 39.89840 247.0954 14.29728 -62.88792      42.38271 
1 1 1 19  39 3  o 89.30190 28.66445 306.3534       170.1149 185.1848       412.2667 331.2179       186.7553 83.30218 38.01549 91.76018 30.07895 -8.458000      48.47598 
1 1 1 19  39 4  o 74.95732 27.82195 197.9490       162.8339 199.1947       421.0585 197.7300       176.5721 84.17140 38.41467 75.29570 28.74706 8.875702       47.98000 
1 1 1 19  39 5  o 83.81934 28.40119 265.8125       166.2451 776.6372       396.8218 157.0714       183.0866 120.2603 43.62960 71.16673 28.63001 49.09353       52.18448 
1 1 1 19  39 6  o 121.6932 23.47648 520.6878       161.4809 283.4764       353.1796 583.3835       181.5712 86.61331 37.56762 127.4147 25.19141 -40.80143      45.23199 
1 1 1 19  39 7  o 94.02958 29.11027 344.7106       176.9409 341.8706       384.7986 345.4721       199.2559 90.13220 39.15269 92.67002 31.09295 -2.537819      49.99705 
1 1 1 19  39 8  o 76.09172 28.49740 207.8465       171.5894 427.3200       416.3728 162.9481       188.3246 94.62330 40.91642 71.79530 28.98232 22.82800       50.14109 
1 1 1 19  39 9  o 70.92075 27.49586 167.1233       163.2854 3.912306       379.3227 204.2452       180.9043 73.69496 34.59433 75.76810 29.05519 -2.073135      45.17712 
1 1 1 19  39 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 19  39 11 o 81.67971 38.08519 143.5345       447.0393 143.5345       447.0393 0.000000       0.000000 81.67971 38.08519 ?        ?        0.000000       38.08519 
1 1 1 19  39 12 o 64.82288 31.98470 -418.4148      438.2934 -418.4148      438.2934 0.000000       0.000000 64.82288 31.98470 ?        ?        0.000000       31.98470 
1 1 1 19  39 13 o 74.82122 35.90108 -68.91773      455.0106 -68.91773      455.0106 0.000000       0.000000 74.82122 35.90108 ?        ?        0.000000       35.90108 
1 1 1 19  39 14 o 100.3803 42.80735 563.8278       444.0181 563.8278       444.0181 0.000000       0.000000 100.3803 42.80735 ?        ?        0.000000       42.80735 
1 1 1 19  39 15 o 110.9730 43.59583 719.4574       414.9009 719.4574       414.9009 0.000000       0.000000 110.9730 43.59583 ?        ?        0.000000       43.59583 
1 1 1 19  40 0  o 93.10204 33.56365 371.6259       234.3697 -294.8438      417.3556 678.5995       283.2478 66.19276 32.36460 122.4153 36.61999 -56.22252      48.87219 
1 1 1 19  40 1  o 95.19920 28.69701 355.4872       173.4493 57.85639       430.1391 413.2799       189.5426 77.57190 36.54633 101.7034 29.83886 -24.13151      47.18042 
1 1 1 19  40 2  o 57.20355 25.57020 11.90161       175.5416 -454.0490      415.8514 112.9322       193.6398 62.29245 30.81312 67.08708 28.42618 -4.794632      41.92250 
1 1 1 19  40 3  o 84.71890 29.53222 281.6992       180.1355 359.6332       418.9136 264.0198       199.5240 89.93443 39.89304 82.24150 30.74411 7.692932       50.36522 
1 1 1 19  40 4  o 80.32275 29.76235 246.9401       186.1928 338.8405       405.9768 222.4607       209.5284 88.75295 39.32565 77.92675 30.86671 10.82620       49.99261 
1 1 1 19  40 5  o 70.25690 27.93049 160.2698       172.1561 -511.0675      361.8843 356.6420       195.7218 56.71737 28.17488 93.51804 30.79974 -36.80067      41.74264 
1 1 1 19  40 6  f 87.04700 27.60267 291.2640       158.1257 83.65174       363.4225 339.7461       175.6208 75.57671 34.92786 92.74643 29.04705 -17.16972      45.42782 
1 1 1 19  40 7  o 136.5295 25.73377 680.5189       198.4980 392.1185       403.2490 772.7480       228.0392 91.52818 39.91530 142.8917 28.21314 -51.36349      48.87957 
1 1 1 19  40 8  o 58.90110 27.38627 -56.74407      228.5766 -34.26212      421.7055 -66.09702      271.9984 73.95941 35.23387 62.68052 29.38256 11.27889       45.87767 
1 1 1 19  40 9  o 65.59024 27.04313 117.8022       168.2343 29.85788       458.3212 131.4968       180.8592 77.67471 36.92653 67.82787 28.00987 9.846840       46.34784 
1 1 1 19  40 10 o 75.22190 27.39460 206.6446       156.6513 52.82487       428.7535 230.3415       168.2858 77.12080 36.38081 78.28749 28.41090 -1.166695      46.15996 
1 1 1 19  40 11 o 86.75137 38.01507 316.4695       369.6449 316.4695       369.6449 0.000000       0.000000 86.75137 38.01507 ?        ?        0.000000       38.01507 
1 1 1 19  41 0  o 57.68128 26.52360 -29.20012      205.8466 41.66329       418.1171 -51.87060      236.4924 75.70997 35.77913 59.66394 27.77992 16.04602       45.29757 
1 1 1 19  41 1  o 57.59660 25.92348 7.587996       183.8609 -56.65818      417.8641 23.01233       204.7457 72.47594 34.67653 60.88355 27.38352 11.59239       44.18505 
1 1 1 19  41 2  o 54.67657 25.31518 -53.35172      192.2051 -220.9368      429.2257 -11.31912      214.9617 68.35783 33.29078 59.76066 27.33984 8.597172       43.07833 
1 1 1 19  41 3  o 55.07865 25.33899 -38.53218      188.1841 -125.7937      428.8532 -17.72291      209.4236 70.97982 34.25909 58.79731 26.93149 12.18251       43.57740 
1 1 1 19  41 4  o 54.75082 25.39745 -57.63343      194.8341 130.5129       405.2503 -114.1966      222.1992 78.61509 36.52265 55.05694 26.03798 23.55815       44.85399 
1 1 1 19  41 5  o 125.4593 27.05849 593.5535       193.2337 293.8440       438.6316 665.7259       215.2460 86.01940 39.23892 131.1434 28.77778 -45.12399      48.66059 
1 1 1 19  41 6  o 88.25092 30.72317 319.9128       194.9228 -204.2083      489.8755 418.5049       212.4667 71.75884 35.08137 99.23325 32.05127 -27.47440      47.51828 
1 1 1 19  41 7  o 89.34326 30.91240 330.7554       197.1887 794.6186       483.5528 238.2316       215.9611 109.4000 45.54287 78.83521 31.30155 30.56474       55.26247 
1 1 1 20  0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  1  o 233.8866 28.54318 1688.060       375.9705 1688.060       375.9705 1688.060       375.9705 233.8866 28.54318 233.8866 28.54318 0.000000       0.000000 
1 1 1 20  0  2  o 117.1058 49.70555 581.9467       346.0720 581.9467       346.0720 581.9467       346.0720 117.1058 49.70555 117.1058 49.70555 0.000000       0.000000 
1 1 1 20  0  3  o 343.0184 20.42429 3503.462       407.5127 3503.462       407.5127 3503.462       407.5127 343.0184 20.42429 343.0184 20.42429 0.000000       0.000000 
1 1 1 20  0  4  o 351.7456 21.73292 3689.781       444.3648 3689.781       444.3648 3689.781       444.3648 351.7456 21.73292 351.7456 21.73292 0.000000       0.000000 
1 1 1 20  0  5  o 83.81750 46.57287 292.3276       337.9624 292.3276       337.9624 292.3276       337.9624 83.81750 46.57287 83.81750 46.57287 0.000000       0.000000 
1 1 1 20  0  6  o 95.51960 50.54049 401.1899       379.2470 401.1899       379.2470 401.1899       379.2470 95.51960 50.54049 95.51960 50.54049 0.000000       0.000000 
1 1 1 20  0  7  o 79.67011 45.78496 246.5956       341.4719 246.5956       341.4719 246.5956       341.4719 79.67011 45.78496 79.67011 45.78496 0.000000       0.000000 
1 1 1 20  0  8  o 83.58217 48.96685 257.5025       402.6179 257.5025       402.6179 257.5025       402.6179 83.58217 48.96685 83.58217 48.96685 0.000000       0.000000 
1 1 1 20  0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  13 o 248.2007 21.67797 1862.333       309.7768 1862.333       309.7768 1862.333       309.7768 248.2007 21.67797 248.2007 21.67797 0.000000       0.000000 
1 1 1 20  0  14 o 808.0884 21.06911 19350.59       996.9835 19350.59       996.9835 19350.59       996.9835 808.0884 21.06911 808.0884 21.06911 0.000000       0.000000 
1 1 1 20  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  16 o 294.4825 18.80231 2592.457       321.6551 2592.457       321.6551 2592.457       321.6551 294.4825 18.80231 294.4825 18.80231 0.000000       0.000000 
1 1 1 20  0  17 o 306.9600 17.57244 2808.278       313.9564 2808.278       313.9564 2808.278       313.9564 306.9600 17.57244 306.9600 17.57244 0.000000       0.000000 
1 1 1 20  0  18 o 447.9249 15.43915 5934.799       404.4886 5934.799       404.4886 5934.799       404.4886 447.9249 15.43915 447.9249 15.43915 0.000000       0.000000 
1 1 1 20  0  19 o 310.2055 17.11231 2865.103       309.1401 2865.103       309.1401 2865.103       309.1401 310.2055 17.11231 310.2055 17.11231 0.000000       0.000000 
1 1 1 20  0  20 o 27.57272 20.34522 -764.6099      245.1362 -764.6099      245.1362 -764.6099      245.1362 27.57272 20.34522 27.57272 20.34522 0.000000       0.000000 
1 1 1 20  0  21 o 78.25866 43.03257 263.1298       285.1503 263.1298       285.1503 263.1298       285.1503 78.25866 43.03257 78.25866 43.03257 0.000000       0.000000 
1 1 1 20  0  22 o 197.2135 27.54099 1222.115       300.7665 1222.115       300.7665 1222.115       300.7665 197.2135 27.54099 197.2135 27.54099 0.000000       0.000000 
1 1 1 20  0  23 o 249.8812 19.71057 1880.675       284.6039 1880.675       284.6039 1880.675       284.6039 249.8812 19.71057 249.8812 19.71057 0.000000       0.000000 
1 1 1 20  0  24 f 59.95988 37.80473 60.82642       281.5114 60.82642       281.5114 60.82642       281.5114 59.95988 37.80473 59.95988 37.80473 0.000000       0.000000 
1 1 1 20  0  25 o 192.9361 26.11311 1167.922       280.2291 1167.922       280.2291 1167.922       280.2291 192.9361 26.11311 192.9361 26.11311 0.000000       0.000000 
1 1 1 20  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  27 o 62.81601 38.92210 100.8272       285.1628 100.8272       285.1628 100.8272       285.1628 62.81601 38.92210 62.81601 38.92210 0.000000       0.000000 
1 1 1 20  0  28 o 73.48660 41.67089 228.9204       277.5753 228.9204       277.5753 228.9204       277.5753 73.48660 41.67089 73.48660 41.67089 0.000000       0.000000 
1 1 1 20  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  0  30 o 308.5846 17.79630 2856.723       319.6015 2856.723       319.6015 2856.723       319.6015 308.5846 17.79630 308.5846 17.79630 0.000000       0.000000 
1 1 1 20  0  31 o 52.11713 33.87640 4.675271       248.4925 4.675271       248.4925 4.675271       248.4925 52.11713 33.87640 52.11713 33.87640 0.000000       0.000000 
1 1 1 20  0  32 o 52.30803 33.48625 36.23928       230.9473 36.23928       230.9473 36.23928       230.9473 52.30803 33.48625 52.30803 33.48625 0.000000       0.000000 
1 1 1 20  0  33 o 52.86946 33.84145 42.26865       235.7816 42.26865       235.7816 42.26865       235.7816 52.86946 33.84145 52.86946 33.84145 0.000000       0.000000 
1 1 1 20  0  34 o 75.18189 38.97137 272.8789       222.0519 272.8789       222.0519 272.8789       222.0519 75.18189 38.97137 75.18189 38.97137 0.000000       0.000000 
1 1 1 20  0  35 f 105.2178 36.63619 452.9314       204.2535 452.9314       204.2535 452.9314       204.2535 105.2178 36.63619 105.2178 36.63619 0.000000       0.000000 
1 1 1 20  0  36 f 42.03603 28.04683 -37.02335      188.5137 -37.02335      188.5137 -37.02335      188.5137 42.03603 28.04683 42.03603 28.04683 0.000000       0.000000 
1 1 1 20  0  37 o 36.26268 25.08715 -122.1308      182.0125 -122.1308      182.0125 -122.1308      182.0125 36.26268 25.08715 36.26268 25.08715 0.000000       0.000000 
1 1 1 20  0  38 o 102.8937 34.85205 433.0217       188.2328 433.0217       188.2328 433.0217       188.2328 102.8937 34.85205 102.8937 34.85205 0.000000       0.000000 
1 1 1 20  0  39 o 83.34322 38.86520 341.0729       211.4667 341.0729       211.4667 341.0729       211.4667 83.34322 38.86520 83.34322 38.86520 0.000000       0.000000 
1 1 1 20  0  40 o 87.21694 39.39001 371.8675       216.4893 371.8675       216.4893 371.8675       216.4893 87.21694 39.39001 87.21694 39.39001 0.000000       0.000000 
1 1 1 20  0  41 o 104.4907 42.09393 513.1937       251.3191 513.1937       251.3191 513.1937       251.3191 104.4907 42.09393 104.4907 42.09393 0.000000       0.000000 
1 1 1 20  0  42 o 53.72941 34.92545 58.24637       264.1490 58.24637       264.1490 58.24637       264.1490 53.72941 34.92545 53.72941 34.92545 0.000000       0.000000 
1 1 1 20  0  43 o 41.60312 29.13527 -195.0047      266.5228 -195.0047      266.5228 -195.0047      266.5228 41.60312 29.13527 41.60312 29.13527 0.000000       0.000000 
1 1 1 20  1  0  o 195.0208 22.70269 1142.852       254.8130 800.0676       337.3364 1598.318       388.8487 159.7202 36.77347 229.4382 29.58573 -69.71803      47.19749 
1 1 1 20  1  1  o 516.5010 21.47872 7917.949       649.2040 7917.949       649.2040 0.000000       0.000000 516.5010 21.47872 ?        ?        0.000000       21.47872 
1 1 1 20  1  2  o 443.1544 21.01636 5830.037       544.6580 5830.037       544.6580 0.000000       0.000000 443.1544 21.01636 ?        ?        0.000000       21.01636 
1 1 1 20  1  3  o 224.3914 24.66463 1514.809       319.2419 1514.809       319.2419 0.000000       0.000000 224.3914 24.66463 ?        ?        0.000000       24.66463 
1 1 1 20  1  4  o 157.1923 35.36365 774.4005       318.1024 774.4005       318.1024 0.000000       0.000000 157.1923 35.36365 ?        ?        0.000000       35.36365 
1 1 1 20  1  5  o 468.8753 21.16490 6531.830       580.5010 6531.830       580.5010 0.000000       0.000000 468.8753 21.16490 ?        ?        0.000000       21.16490 
1 1 1 20  1  6  o 371.3537 21.49928 4105.697       466.2312 4105.697       466.2312 0.000000       0.000000 371.3537 21.49928 ?        ?        0.000000       21.49928 
1 1 1 20  1  7  o 324.9567 16.14067 3125.958       306.6451 3367.668       426.3290 2866.872       441.3864 336.0553 21.74814 309.2289 24.53928 26.82648       32.78960 
1 1 1 20  1  8  o 257.9115 18.62096 1979.813       279.7625 1897.302       382.7024 2074.510       409.9938 250.5705 26.44060 261.9442 27.07803 -11.37378      37.84607 
1 1 1 20  1  9  o 351.9661 23.33514 3707.402       478.9637 3707.402       478.9637 0.000000       0.000000 351.9661 23.33514 ?        ?        0.000000       23.33514 
1 1 1 20  1  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  1  13 f 291.9125 19.28373 2543.169       328.2878 2543.169       328.2878 0.000000       0.000000 291.9125 19.28373 ?        ?        0.000000       19.28373 
1 1 1 20  1  14 o 599.4955 17.92886 10678.57       629.6525 10678.57       629.6525 0.000000       0.000000 599.4955 17.92886 ?        ?        0.000000       17.92886 
1 1 1 20  1  15 o 312.0635 18.44413 2904.879       336.0551 2904.879       336.0551 0.000000       0.000000 312.0635 18.44413 ?        ?        0.000000       18.44413 
1 1 1 20  1  16 o 323.5350 12.59979 3094.537       238.6185 3411.406       347.6222 2812.198       328.1354 338.4515 17.57319 307.0014 18.30793 31.45007       25.37710 
1 1 1 20  1  17 o 99.42785 30.02028 304.8416       189.7040 77.06116       269.9172 527.1843       266.6760 82.66113 34.18465 128.5505 34.60914 -45.88940      48.64548 
1 1 1 20  1  18 o 350.8946 11.71740 3636.151       240.7958 3585.591       328.3308 3694.996       354.2137 347.3426 16.16201 352.3055 17.19528 -4.962921      23.59848 
1 1 1 20  1  19 o 181.3424 18.19811 987.5037       190.9294 1006.672       270.8386 968.5669       269.1989 180.8820 26.30080 177.2287 26.72989 3.653366       37.49959 
1 1 1 20  1  20 o 190.5666 16.42593 1084.892       181.7909 1274.949       265.0392 916.0372       249.8177 205.1888 22.38722 172.6867 25.42721 32.50211       33.87817 
1 1 1 20  1  21 o 98.19851 30.60454 293.9509       195.2089 364.4969       280.6930 227.8710       271.6626 110.4764 36.90137 96.01573 35.87785 14.46066       51.46777 
1 1 1 20  1  22 o 535.7885 11.89506 8469.682       373.7751 8630.438       546.0594 8327.961       512.7109 538.7499 17.30477 529.5360 16.52946 9.213928       23.93069 
1 1 1 20  1  23 o 150.9694 22.74976 698.1664       195.1760 698.2902       271.0614 698.0332       281.2623 148.2672 32.10415 147.9254 33.23352 0.3418884      46.20761 
1 1 1 20  1  24 o 451.4822 11.66224 6021.401       308.5386 6092.284       443.2892 5954.796       429.7066 452.3846 16.73702 447.3754 16.40535 5.009186       23.43637 
1 1 1 20  1  25 o 66.38750 30.62247 -189.8163      277.4240 -189.8163      277.4240 0.000000       0.000000 66.38750 30.62247 ?        ?        0.000000       30.62247 
1 1 1 20  1  26 o 84.21365 34.23166 113.9948       264.8071 0.000000       0.000000 113.9948       264.8071 ?        ?        84.21365 34.23166 0.000000       34.23166 
1 1 1 20  1  27 o 102.2685 30.98475 330.5388       201.8437 163.9437       288.0766 491.1937       282.8941 90.50898 36.08146 122.7844 36.56530 -32.27544      51.37016 
1 1 1 20  1  28 o 66.83617 28.01075 37.81282       184.7462 31.95369       281.4590 42.24813       244.8840 79.50380 33.99807 75.65379 32.00742 3.850006       46.69415 
1 1 1 20  1  29 o 61.44783 26.82303 -19.24771      182.4760 -41.80406      296.2571 -5.459228      231.6289 76.32248 33.71643 70.07391 30.40859 6.248573       45.40352 
1 1 1 20  1  30 o 274.9360 13.67574 2256.790       219.8201 2453.430       347.2245 2125.267       283.9728 283.3181 21.04742 264.8795 18.39434 18.43851       27.95256 
1 1 1 20  1  31 o 59.62489 26.46362 -40.94255      184.6086 -183.8452      264.8442 94.10707       257.4643 63.49017 29.50601 80.03654 33.26832 -16.54638      44.46781 
1 1 1 20  1  32 o 48.10154 22.83152 -187.9790      173.8530 -263.6374      240.0263 -104.4831      252.1523 55.64710 26.53006 65.30450 29.77464 -9.657402      39.87949 
1 1 1 20  1  33 o 70.63390 28.00156 110.4482       172.5712 88.92191       242.1344 132.6703       246.0170 76.37643 32.04211 80.34799 32.86837 -3.971565      45.90236 
1 1 1 20  1  34 o 145.8177 18.60903 664.5691       155.5205 654.3107       221.1866 674.5994       218.7127 139.5733 27.99616 142.2596 27.20564 -2.686264      39.03756 
1 1 1 20  1  35 o 216.8666 12.98012 1421.354       164.3350 1289.205       233.6379 1550.750       231.1909 202.4778 19.93321 223.7224 17.76599 -21.24460      26.70137 
1 1 1 20  1  36 o 80.05577 25.57563 211.3229       135.5466 213.1800       185.5191 209.1962       198.5249 82.11272 29.82567 82.32992 30.68896 -0.2172012     42.79465 
1 1 1 20  1  37 o 67.53851 24.76443 133.8103       128.3403 208.7748       192.7176 74.07020       172.0389 81.24783 30.24629 65.22478 27.15999 16.02305       40.65100 
1 1 1 20  1  38 o 75.78312 25.78528 188.4716       137.0454 351.6010       206.7609 60.64597       183.0253 98.23750 31.60801 64.98959 27.59086 33.24792       41.95619 
1 1 1 20  1  39 o 89.77776 26.04800 281.8143       145.1533 274.5390       204.6564 289.1787       205.9047 88.07271 31.41001 89.80798 31.55469 -1.735268      44.52288 
1 1 1 20  1  40 o 66.53661 26.82376 109.4467       161.0807 178.9952       240.6671 53.00732       216.8024 79.22427 32.47033 67.23537 29.29519 11.98890       43.73249 
1 1 1 20  1  41 o 50.69396 23.55120 -91.41121      168.5106 -138.8291      244.3546 -48.41142      232.6927 58.74782 27.63671 62.06104 28.41210 -3.313213      39.63628 
1 1 1 20  1  42 o 81.65583 30.07404 235.8604       189.6140 3.142692       253.7853 529.9189       285.2783 66.83447 30.23401 111.4328 37.20115 -44.59829      47.93768 
1 1 1 20  1  43 o 85.90958 32.34321 272.4413       221.6475 349.2578       285.2811 155.4517       352.0622 93.48257 36.31587 82.04591 36.47266 11.43665       51.46938 
1 1 1 20  2  0  f 327.5634 15.33555 3170.057       293.7907 2844.197       393.2231 3581.788       442.0083 309.0157 21.83807 346.9497 21.83338 -37.93399      30.88038 
1 1 1 20  2  1  o 502.8217 15.22311 7460.135       448.4019 7360.987       620.7103 7568.350       648.4727 497.9912 21.30204 504.7801 21.95730 -6.788849      30.59249 
1 1 1 20  2  2  o 618.9095 16.48338 11311.54       597.7741 11101.75       820.3410 11549.06       872.8618 611.1451 22.92822 622.9782 23.93485 -11.83307      33.14484 
1 1 1 20  2  3  o 278.5055 16.83521 2298.055       273.6970 2169.835       355.5889 2484.439       428.7201 269.4493 22.71327 287.7332 25.67529 -18.28397      34.27992 
1 1 1 20  2  4  o 90.83932 33.37548 201.9358       233.2977 35.98575       297.0396 469.1261       376.9085 83.97720 35.37558 126.9489 42.76481 -42.97173      55.50010 
1 1 1 20  2  5  o 158.2478 27.53804 768.8082       246.2989 996.0295       331.9627 490.5474       367.3590 179.2799 32.77995 128.4124 42.19137 50.86752       53.42880 
1 1 1 20  2  6  o 191.9482 23.79475 1112.426       262.1330 958.0370       359.8389 1286.995       382.6344 174.7498 36.29850 204.2003 33.08133 -29.45041      49.11166 
1 1 1 20  2  7  o 494.0433 15.20052 7209.467       439.9031 7101.413       602.7087 7332.655       643.5297 488.6956 21.07856 496.2413 22.16781 -7.545654      30.58950 
1 1 1 20  2  8  o 331.1542 21.83509 3273.534       421.7019 3273.534       421.7019 0.000000       0.000000 331.1542 21.83509 ?        ?        0.000000       21.83509 
1 1 1 20  2  9  o 344.8303 23.74280 3562.308       477.2311 3562.308       477.2311 0.000000       0.000000 344.8303 23.74280 ?        ?        0.000000       23.74280 
1 1 1 20  2  10 o 248.7246 28.65452 1883.927       410.3567 1883.927       410.3567 0.000000       0.000000 248.7246 28.65452 ?        ?        0.000000       28.65452 
1 1 1 20  2  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2  13 o 111.0992 39.14877 346.3129       317.1035 346.3129       317.1035 0.000000       0.000000 111.0992 39.14877 ?        ?        0.000000       39.14877 
1 1 1 20  2  14 o 669.2540 19.22243 13333.14       753.7019 13333.14       753.7019 0.000000       0.000000 669.2540 19.22243 ?        ?        0.000000       19.22243 
1 1 1 20  2  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  2  16 o 616.2300 12.53563 11209.19       453.0432 11481.92       661.6612 10968.47       621.6121 621.1754 18.18187 607.4576 17.46643 13.71777       25.21223 
1 1 1 20  2  17 o 253.5780 15.14374 1910.927       224.1879 1744.425       308.8249 2096.429       325.9686 240.3999 22.15319 264.0049 21.23186 -23.60500      30.68479 
1 1 1 20  2  18 o 187.7421 18.51361 1058.707       201.1965 1048.684       305.2857 1066.403       267.5113 183.6711 29.32677 186.6298 25.07436 -2.958679      38.58475 
1 1 1 20  2  19 o 310.0046 12.33084 2841.068       223.7403 2787.666       316.5937 2894.351       316.2397 305.7563 17.73142 311.6739 17.36948 -5.917603      24.82140 
1 1 1 20  2  20 o 40.46133 20.11982 -456.4956      186.3974 -306.4734      262.4937 -609.0872      264.7321 58.99729 28.01805 49.05743 24.32279 9.939857       37.10268 
1 1 1 20  2  21 o 223.3896 16.93038 1489.308       220.1580 1357.723       309.9075 1623.372       312.8136 210.8566 25.58353 231.5294 23.35608 -20.67281      34.64135 
1 1 1 20  2  22 o 225.5625 16.22270 1516.533       213.1720 1572.293       307.8159 1465.145       295.5024 227.7557 23.37613 219.8122 23.27553 7.943481       32.98778 
1 1 1 20  2  23 o 337.2568 12.85216 3365.369       253.7416 3584.189       373.5282 3177.866       345.7673 346.4496 18.45023 326.2644 18.14167 20.18524       25.87530 
1 1 1 20  2  24 o 67.46204 28.87481 5.346647       203.3573 -74.55208      280.7369 93.55356       294.9720 73.36454 32.59389 86.55190 35.75934 -13.18736      48.38483 
1 1 1 20  2  25 o 173.9684 19.63585 916.6082       196.8448 909.2890       287.1295 923.0985       270.3856 169.8827 29.91098 171.9864 27.75078 -2.103745      40.80163 
1 1 1 20  2  26 o 160.5523 20.94230 787.7949       192.4975 757.4214       276.4904 816.3669       268.1655 153.6553 31.73311 160.4854 29.58120 -6.830093      43.38246 
1 1 1 20  2  27 o 303.9776 12.22529 2740.271       217.5025 3178.576       329.0797 2400.274       289.8345 325.6436 17.29290 282.7599 17.56432 42.88376       24.64852 
1 1 1 20  2  28 o 56.48748 25.37516 -68.91863      175.2119 111.2175       264.1585 -210.4224      234.1252 83.44022 34.08717 58.21672 27.28053 25.22350       43.65962 
1 1 1 20  2  29 o 59.49176 27.89560 -218.4280      245.4576 0.000000       0.000000 -218.4280      245.4576 ?        ?        59.49176 27.89560 0.000000       27.89560 
1 1 1 20  2  30 o 223.5966 15.55981 1502.924       202.7691 1574.183       304.3069 1446.020       271.9339 225.5024 23.34698 216.8331 21.67405 8.669281       31.85665 
1 1 1 20  2  31 o 40.07056 19.81135 -367.5016      171.1556 -489.6473      254.4287 -266.5367      231.3195 50.00275 24.61388 54.52735 26.00962 -4.524605      35.80982 
1 1 1 20  2  32 o 102.4161 25.91445 343.8050       155.7535 502.3073       217.8858 178.1741       222.7316 122.1539 30.50694 83.20208 32.15233 38.95182       44.32206 
1 1 1 20  2  33 o 37.12383 18.42153 -344.8848      153.0740 -286.8105      219.0097 -400.3506      214.0347 51.00996 24.58595 45.99881 22.62974 5.011150       33.41518 
1 1 1 20  2  34 o 187.8915 15.85519 1081.092       173.0856 1199.285       253.1075 977.2678       237.2238 193.8454 22.69279 174.0500 23.86783 19.79536       32.93382 
1 1 1 20  2  35 o 41.18143 19.89764 -206.5256      145.6047 -194.6935      207.4474 -218.0147      204.4182 52.82042 25.03300 51.22532 24.43897 1.595100       34.98449 
1 1 1 20  2  36 o 101.9833 24.40359 349.0282       144.0060 489.0719       210.8244 226.5363       197.1710 117.6340 30.35580 84.20538 30.72370 33.42865       43.19051 
1 1 1 20  2  37 o 44.57330 20.74912 -94.18350      131.8207 -68.36609      188.7068 -118.7877      184.2195 56.27865 25.69709 52.48767 24.46526 3.790981       35.48083 
1 1 1 20  2  38 o 130.9743 18.57031 547.7914       138.6499 560.7968       208.0139 537.3942       185.9905 125.7909 28.81648 124.9250 26.22273 0.8658600      38.96178 
1 1 1 20  2  39 o 53.61370 23.23282 13.91099       134.8193 90.41990       187.8763 -67.31220      193.5780 67.73621 28.30758 56.47603 25.87735 11.26018       38.35305 
1 1 1 20  2  40 o 71.25554 27.09073 153.9836       156.3963 71.82196       235.6911 218.6226       209.0528 70.42287 30.61605 81.31227 31.22056 -10.88940      43.72718 
1 1 1 20  2  41 o 125.8169 23.09012 537.6078       164.1021 322.9419       239.6536 727.1166       225.1734 92.27499 33.83965 142.5433 27.93449 -50.26829      43.88004 
1 1 1 20  2  42 o 70.82768 28.16682 145.1996       175.1384 229.5843       239.4861 48.18452       256.7839 82.40130 32.88187 69.80536 31.08288 12.59594       45.24780 
1 1 1 20  2  43 o 44.72937 22.26781 -466.5681      231.0097 -519.7801      316.5956 -405.9782      337.8314 53.69495 26.61801 58.86558 28.85231 -5.170628      39.25525 
1 1 1 20  3  0  o 262.9767 14.62050 2044.216       224.6038 1707.832       335.1557 2318.437       302.6075 238.5163 24.29846 279.4619 18.56850 -40.94556      30.58112 
1 1 1 20  3  1  o 226.1400 18.09598 1520.537       237.9981 1681.547       324.5201 1333.151       350.0931 236.7791 23.68705 209.2137 29.33786 27.56538       37.70658 
1 1 1 20  3  2  o 177.7758 23.73985 955.0668       241.3335 980.2208       312.0459 917.6279       380.6947 178.4174 30.94273 170.6438 38.90626 7.773590       49.71066 
1 1 1 20  3  3  f 49.47386 24.15431 -423.0471      229.9756 -302.6467      291.6873 -620.8506      373.8701 64.20793 30.20209 64.66623 31.39602 -0.4582977     43.56462 
1 1 1 20  3  4  o 231.2207 19.73688 1594.148       265.0863 1880.074       351.2046 1215.577       404.1169 250.2599 24.23148 197.5643 36.21177 52.69551       43.57129 
1 1 1 20  3  5  o 374.2611 15.08764 4138.172       330.4878 4316.637       443.6326 3915.625       495.4014 381.2222 19.91145 362.1273 23.45241 19.09488       30.76494 
1 1 1 20  3  6  o 312.1901 15.90655 2884.682       290.2765 2908.582       391.0256 2855.342       433.2381 312.3037 21.47982 308.7494 24.11722 3.554321       32.29586 
1 1 1 20  3  7  o 243.5301 25.23833 1787.913       355.2463 1787.913       355.2463 0.000000       0.000000 243.5301 25.23833 ?        ?        0.000000       25.23833 
1 1 1 20  3  8  o 97.26673 40.03337 113.6447       367.8256 113.6447       367.8256 0.000000       0.000000 97.26673 40.03337 ?        ?        0.000000       40.03337 
1 1 1 20  3  9  o 161.9084 38.89355 834.7469       364.6802 834.7469       364.6802 0.000000       0.000000 161.9084 38.89355 ?        ?        0.000000       38.89355 
1 1 1 20  3  10 o 226.1968 29.22989 1564.905       378.7045 1564.905       378.7045 0.000000       0.000000 226.1968 29.22989 ?        ?        0.000000       29.22989 
1 1 1 20  3  11 o 402.2180 22.44514 4838.866       527.3615 4838.866       527.3615 0.000000       0.000000 402.2180 22.44514 ?        ?        0.000000       22.44514 
1 1 1 20  3  12 o 578.2012 17.59851 9919.883       596.0732 9919.883       596.0732 0.000000       0.000000 578.2012 17.59851 ?        ?        0.000000       17.59851 
1 1 1 20  3  13 o 387.7106 17.42299 4466.237       395.1572 4466.237       395.1572 0.000000       0.000000 387.7106 17.42299 ?        ?        0.000000       17.42299 
1 1 1 20  3  14 o 285.9838 20.82407 2451.359       346.8738 2451.359       346.8738 0.000000       0.000000 285.9838 20.82407 ?        ?        0.000000       20.82407 
1 1 1 20  3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  3  16 o 465.6379 12.19576 6402.320       332.7619 5707.006       431.6461 7420.901       522.4385 438.2252 16.82626 499.3847 17.86693 -61.15952      24.54282 
1 1 1 20  3  17 o 412.4755 11.95819 5024.243       288.9719 4726.251       396.8060 5360.735       421.6616 398.6113 17.01289 424.5845 16.96778 -25.97321      24.02798 
1 1 1 20  3  18 o 343.4087 11.96283 3483.932       240.5647 3532.078       348.2568 3439.992       332.6961 344.3960 17.29751 340.0327 16.73450 4.363281       24.06756 
1 1 1 20  3  19 f 206.8798 17.79925 1281.229       213.8610 1408.377       294.0260 1138.399       311.6315 215.3573 23.66930 191.8058 28.57398 23.55159       37.10402 
1 1 1 20  3  20 o 147.9111 25.13448 675.5615       210.2384 918.3121       295.6990 427.4071       298.9721 171.2912 30.55595 117.8761 38.01570 53.41515       48.77355 
1 1 1 20  3  21 o 197.1871 19.91984 1170.539       227.2088 1299.193       314.5500 1030.178       328.5507 205.8429 26.68299 181.1451 32.10113 24.69785       41.74284 
1 1 1 20  3  22 o 260.3216 19.87390 2032.586       301.1260 2032.586       301.1260 0.000000       0.000000 260.3216 19.87390 ?        ?        0.000000       19.87390 
1 1 1 20  3  23 o 176.2100 20.49823 939.8687       207.8851 683.0779       293.6392 1197.904       294.3498 145.8575 34.81196 197.5058 26.04590 -51.64827      43.47714 
1 1 1 20  3  24 o 296.1871 13.45452 2601.062       233.1037 2722.280       339.0952 2492.458       320.9680 301.3034 19.29099 288.3207 19.08920 12.98267       27.13927 
1 1 1 20  3  25 o 57.99817 26.01855 -72.97301      183.5219 -114.5233      277.9684 -40.86584      244.3483 70.44922 31.77668 70.11813 30.81140 0.3310928      44.26171 
1 1 1 20  3  26 o 83.04185 29.66545 188.5076       182.6300 187.2896       260.4187 189.6863       256.1888 90.11917 34.78201 89.94740 34.55500 0.1717758      49.02893 
1 1 1 20  3  27 o 53.16344 24.41042 -113.4524      173.4754 -110.0507      256.1092 -116.3362      235.8087 67.14427 30.37333 63.69027 28.94314 3.453999       41.95527 
1 1 1 20  3  28 o 122.3703 25.13791 473.5070       174.3678 743.8228       257.0979 243.2601       237.2792 152.3479 29.84277 93.28197 33.75217 59.06594       45.05330 
1 1 1 20  3  29 o 47.61094 22.47036 -171.6433      163.9115 -395.7373      242.7564 16.13073       222.2150 51.67194 25.13559 70.31428 30.14161 -18.64234      39.24684 
1 1 1 20  3  30 o 95.47330 34.27348 267.4474       244.0900 0.000000       0.000000 267.4474       244.0900 ?        ?        95.47330 34.27348 0.000000       34.27348 
1 1 1 20  3  31 o 53.62756 24.15281 -62.11364      159.8977 -124.3991      233.0790 -6.739861      219.7668 61.86650 28.36509 67.49162 29.44932 -5.625122      40.88815 
1 1 1 20  3  32 o 74.23541 27.29029 151.7242       156.0163 149.9628       220.1042 153.5029       221.1804 80.13155 31.66888 80.57431 31.77657 -0.4427567     44.86277 
1 1 1 20  3  33 o 75.79852 27.88488 163.2904       162.9365 86.43234       236.0067 233.2867       225.2253 75.42962 31.63877 88.16982 32.72178 -12.74020      45.51622 
1 1 1 20  3  34 o 67.60741 26.67464 104.3674       155.9207 -203.3651      218.8728 421.4546       222.1746 54.39466 25.75964 109.6397 32.34247 -55.24503      41.34724 
1 1 1 20  3  35 o 175.4668 15.77294 946.1603       160.5845 833.0963       233.4488 1047.711       221.2439 158.6019 25.99758 181.5175 21.18028 -22.91563      33.53324 
1 1 1 20  3  36 o 61.10819 24.79205 72.18147       138.5887 87.37804       197.6552 57.48527       194.3739 69.85890 29.10255 66.86429 28.41189 2.994614       40.67178 
1 1 1 20  3  37 o 195.9859 13.32051 1171.004       152.1975 1188.661       224.0520 1155.874       207.3918 192.9137 20.09754 191.2280 18.73229 1.685684       27.47380 
1 1 1 20  3  38 o 72.89063 25.39778 170.4678       133.2209 -39.00798      195.0914 353.4915       182.3581 58.84958 26.57585 99.28027 29.30529 -40.43069      39.56104 
1 1 1 20  3  39 f 61.62099 25.17594 78.69352       144.1136 88.05502       216.1561 71.20252       193.3591 70.30569 29.92105 66.58643 28.31734 3.719261       41.19637 
1 1 1 20  3  40 o 109.3729 22.87082 406.2984       141.9774 195.9397       218.8307 559.2169       186.5770 79.43472 31.51873 126.4399 26.02863 -47.00517      40.87689 
1 1 1 20  3  41 o 84.63847 27.34880 255.5904       154.6851 339.0240       221.5967 176.2996       216.0251 94.20541 32.76023 77.02972 31.06011 17.17570       45.14381 
1 1 1 20  3  42 o 53.44374 24.58519 -64.35770      177.1125 -41.17324      271.7724 -81.47341      233.5093 66.08614 30.42042 59.88521 27.78777 6.200924       41.20148 
1 1 1 20  3  43 o 85.37048 31.23384 269.2280       203.9798 236.4435       314.6898 292.9837       267.8742 85.25637 36.18610 88.38525 34.93497 -3.128883      50.29797 
1 1 1 20  4  0  o 246.4951 14.30318 1796.367       205.8838 1769.839       324.8084 1814.184       266.1902 243.0813 23.05952 247.0450 18.50689 -3.963776      29.56766 
1 1 1 20  4  1  o 119.5649 32.28230 444.2236       231.6222 353.6955       294.7038 590.5043       374.6169 111.4551 37.81374 138.3503 42.27173 -26.89521      56.71665 
1 1 1 20  4  2  o 48.82175 24.03648 -508.4568      242.9620 -690.1547      316.3719 -247.2402      379.3354 54.83386 27.07806 78.95638 36.19529 -24.12252      45.20310 
1 1 1 20  4  3  o 388.4915 14.97111 4457.011       340.4650 4639.547       455.2152 4225.271       512.9124 395.3766 19.69357 376.3392 23.35385 19.03741       30.54896 
1 1 1 20  4  4  o 299.6765 16.71279 2660.404       292.5692 2542.883       372.5103 2849.609       472.6556 291.8900 21.92062 307.9111 26.42935 -16.02109      34.33692 
1 1 1 20  4  5  o 574.4026 16.11449 9749.182       542.3183 9694.579       741.6913 9811.914       794.9872 570.8494 22.19625 573.7341 23.67735 -2.884705      32.45444 
1 1 1 20  4  6  o 425.8378 15.01246 5357.017       374.3403 5250.132       498.5638 5495.143       566.7641 420.2842 20.28671 429.3179 22.58935 -9.033722      30.36164 
1 1 1 20  4  7  o 139.5323 41.97368 608.8199       371.3478 608.8199       371.3478 0.000000       0.000000 139.5323 41.97368 ?        ?        0.000000       41.97368 
1 1 1 20  4  8  o 346.1022 21.58999 3575.020       436.0528 3575.020       436.0528 0.000000       0.000000 346.1022 21.58999 ?        ?        0.000000       21.58999 
1 1 1 20  4  9  o 82.44460 35.80721 -29.63889      321.7357 -29.63889      321.7357 0.000000       0.000000 82.44460 35.80721 ?        ?        0.000000       35.80721 
1 1 1 20  4  10 o 129.3499 42.74465 505.4936       376.8640 505.4936       376.8640 0.000000       0.000000 129.3499 42.74465 ?        ?        0.000000       42.74465 
1 1 1 20  4  11 o 230.5156 29.75718 1629.360       392.9173 1629.360       392.9173 0.000000       0.000000 230.5156 29.75718 ?        ?        0.000000       29.75718 
1 1 1 20  4  12 o 692.7631 19.40923 14274.73       787.7988 14274.73       787.7988 0.000000       0.000000 692.7631 19.40923 ?        ?        0.000000       19.40923 
1 1 1 20  4  13 o 452.9721 17.43659 6094.540       462.3510 6094.540       462.3510 0.000000       0.000000 452.9721 17.43659 ?        ?        0.000000       17.43659 
1 1 1 20  4  14 o 320.4357 13.70061 3038.942       256.8786 3476.921       383.9769 2684.121       345.6075 341.2986 19.26133 299.5894 19.78077 41.70911       27.60938 
1 1 1 20  4  15 o 254.5510 15.95787 1927.485       237.0336 1860.698       333.2404 1995.880       337.2273 248.1379 23.16661 257.2486 22.58102 -9.110672      32.35111 
1 1 1 20  4  16 o 326.2876 13.62194 3152.006       260.0959 2756.160       355.7568 3606.556       381.2247 303.3375 20.11110 347.6100 18.76947 -44.27258      27.50908 
1 1 1 20  4  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  4  18 o 337.8444 12.85645 3375.969       254.2700 3557.227       351.9081 3177.969       367.8025 345.5842 17.41917 326.0052 19.32379 19.57901       26.01608 
1 1 1 20  4  19 o 417.0008 11.43085 5131.739       279.2904 5348.346       399.0140 4923.682       391.0588 424.4134 16.05953 407.0780 16.41366 17.33539       22.96337 
1 1 1 20  4  20 o 222.6673 17.27737 1480.903       223.8594 1565.869       309.8806 1388.164       323.7443 227.2661 23.59212 212.9221 26.49743 14.34390       35.47819 
1 1 1 20  4  21 o 337.9240 13.98825 3382.175       276.6259 3528.245       400.2617 3248.612       382.7424 343.4117 19.95971 329.4972 19.89909 13.91452       28.18446 
1 1 1 20  4  22 o 325.1579 13.40605 3130.069       255.1016 3376.069       366.3577 2898.529       355.4269 336.2476 18.65093 311.1965 19.57360 25.05115       27.03669 
1 1 1 20  4  23 o 509.2541 11.67675 7653.456       348.7444 7850.727       509.5453 7479.614       478.3312 513.7106 16.93588 501.6823 16.27889 12.02832       23.49099 
1 1 1 20  4  24 o 65.02119 28.18270 -14.95107      198.4814 -92.60378      294.0305 50.05484       269.0236 74.08906 33.10744 80.12318 33.70405 -6.034126      47.24474 
1 1 1 20  4  25 o 76.88851 29.48131 131.2738       186.2344 312.4376       282.0695 -8.729635      247.9646 104.2433 36.90576 72.82944 31.53397 31.41390       48.54303 
1 1 1 20  4  26 o 58.09772 25.83228 -52.90463      176.7040 -134.0323      262.4364 14.37958       238.9991 66.84504 30.43785 73.02866 31.28125 -6.183624      43.64607 
1 1 1 20  4  27 o 184.6739 17.41221 1028.668       186.3602 1291.328       270.9588 792.8812       256.7234 205.1622 22.90989 158.0599 28.75338 47.10231       36.76439 
1 1 1 20  4  28 o 55.31481 24.58653 -46.79604      159.9341 -147.0655      240.6336 32.54618       214.0543 62.54345 28.72927 70.64285 29.90788 -8.099396      41.47110 
1 1 1 20  4  29 o 224.8329 13.84812 1509.771       181.7141 1556.095       265.0862 1468.708       249.5794 225.9929 20.21376 219.7689 19.56829 6.223984       28.13386 
1 1 1 20  4  30 o 161.4922 18.83508 798.0497       175.0444 693.5287       257.8155 887.4366       238.4209 145.4016 31.16993 167.9215 24.96821 -22.51990      39.93715 
1 1 1 20  4  31 o 56.73143 24.96156 -24.45332      160.8543 -23.05141      239.4953 -25.60544      217.1129 69.01105 30.40778 65.67519 28.94443 3.335854       41.98110 
1 1 1 20  4  32 o 202.7145 14.69314 1242.491       173.4971 1036.867       254.1156 1422.035       237.4548 180.2023 24.69355 214.8058 19.04603 -34.60353      31.18530 
1 1 1 20  4  33 o 56.58687 24.47472 4.994812       149.0482 36.16581       213.2652 -24.76769      208.3912 68.67765 29.48578 63.46975 28.14624 5.207897       40.76300 
1 1 1 20  4  34 o 39.25239 19.19950 -257.3283      147.2852 -410.0485      208.0477 -103.8866      208.5386 44.49174 21.96858 58.03740 26.69069 -13.54566      34.56894 
1 1 1 20  4  35 o 46.74844 21.84736 -116.7790      148.4734 -265.5893      212.9590 23.96869       207.1095 50.44092 24.29459 66.17639 28.73542 -15.73547      37.62913 
1 1 1 20  4  36 o 88.14941 26.19354 263.5653       145.2945 119.8697       217.5457 379.2781       195.2177 74.68242 30.76795 103.5236 30.25731 -28.84117      43.15289 
1 1 1 20  4  37 o 83.62565 25.16163 237.0522       133.4347 104.4837       195.9599 351.6579       182.2008 70.63787 29.16161 99.50671 29.27171 -28.86884      41.31866 
1 1 1 20  4  38 o 213.6663 12.26758 1386.085       153.0791 1456.275       227.4661 1327.981       206.9575 214.6991 18.23734 205.6944 17.31634 9.004745       25.14868 
1 1 1 20  4  39 o 127.9143 19.03239 528.1851       138.4358 599.7553       205.2990 468.5066       187.4692 130.2402 27.72872 114.3941 28.14013 15.84604       39.50631 
1 1 1 20  4  40 o 103.4908 24.63589 372.6721       147.3627 349.4514       236.6860 387.3714       188.3149 95.54609 33.80854 102.2423 29.67037 -6.696243      44.98164 
1 1 1 20  4  41 o 108.9471 25.29402 417.3000       158.5032 598.3011       249.6707 295.0999       205.1459 123.4576 33.59414 89.23756 31.48456 34.22005       46.04176 
1 1 1 20  4  42 o 71.82404 27.62660 161.1120       163.8946 65.91215       239.6306 244.7864       224.6573 69.39175 30.50167 83.30322 32.26404 -13.91147      44.39955 
1 1 1 20  4  43 o 56.90097 25.86037 -33.44861      188.3086 118.9666       275.5182 -167.0616      257.9648 75.44530 32.94580 58.49149 27.77711 16.95381       43.09284 
1 1 1 20  5  0  o 292.4746 13.44069 2524.889       229.9311 2774.973       361.2650 2354.604       298.1051 305.4153 20.28395 281.6487 18.14378 23.76663       27.21462 
1 1 1 20  5  1  o 287.3074 13.43266 2436.709       225.7124 2579.345       365.2832 2348.613       287.0751 294.1695 21.31759 281.4023 17.48104 12.76721       27.56857 
1 1 1 20  5  2  o 155.3468 26.62909 739.5602       233.8836 592.9609       297.6763 976.0473       378.0786 137.4541 36.36835 176.1635 37.73120 -38.70943      52.40516 
1 1 1 20  5  3  o 196.3871 21.90340 1158.611       247.9861 1306.779       334.7911 978.4905       369.1286 207.1758 28.29241 176.5520 36.84244 30.62379       46.45240 
1 1 1 20  5  4  o 427.4649 15.09912 5397.278       377.9374 5368.542       511.0936 5431.951       561.4114 425.0138 20.56543 426.9647 22.49958 -1.950897      30.48226 
1 1 1 20  5  5  o 452.8159 15.19506 6057.367       402.9574 6570.241       551.8292 5471.486       589.7996 470.3483 20.05082 428.0864 23.58326 42.26187       30.95489 
1 1 1 20  5  6  o 280.9390 22.89102 2363.708       373.8958 2363.708       373.8958 0.000000       0.000000 280.9390 22.89102 ?        ?        0.000000       22.89102 
1 1 1 20  5  7  o 220.1614 26.68112 1471.002       337.4836 1471.002       337.4836 0.000000       0.000000 220.1614 26.68112 ?        ?        0.000000       26.68112 
1 1 1 20  5  8  o 548.6909 22.09705 8975.654       709.6158 8975.654       709.6158 0.000000       0.000000 548.6909 22.09705 ?        ?        0.000000       22.09705 
1 1 1 20  5  9  o 109.3741 40.18642 307.7541       338.2349 307.7541       338.2349 0.000000       0.000000 109.3741 40.18642 ?        ?        0.000000       40.18642 
1 1 1 20  5  10 o 137.3324 40.08048 596.4684       342.7688 596.4684       342.7688 0.000000       0.000000 137.3324 40.08048 ?        ?        0.000000       40.08048 
1 1 1 20  5  11 o 242.1095 27.12671 1783.401       378.5613 1783.401       378.5613 0.000000       0.000000 242.1095 27.12671 ?        ?        0.000000       27.12671 
1 1 1 20  5  12 o 420.1578 14.23129 5220.946       350.1709 5220.946       350.1709 0.000000       0.000000 420.1578 14.23129 ?        ?        0.000000       14.23129 
1 1 1 20  5  13 o 732.5386 20.58795 16005.50       883.6154 16005.50       883.6154 0.000000       0.000000 732.5386 20.58795 ?        ?        0.000000       20.58795 
1 1 1 20  5  14 o 422.5479 17.52307 5310.029       433.3044 5310.029       433.3044 0.000000       0.000000 422.5479 17.52307 ?        ?        0.000000       17.52307 
1 1 1 20  5  15 f 401.7563 12.15866 4766.837       286.1534 4326.324       390.7867 5276.094       420.1733 381.2600 17.52391 421.2756 17.04154 -40.01559      24.44384 
1 1 1 20  5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  5  17 o 221.1743 18.22431 1464.674       234.2982 1394.922       316.8920 1548.785       347.9813 213.6033 25.81935 224.8382 26.92451 -11.23491      37.30373 
1 1 1 20  5  18 o 135.4479 28.96290 577.2325       223.1047 631.0062       297.8793 508.5243       336.7129 140.1604 36.03865 127.2569 40.26995 12.90350       54.04122 
1 1 1 20  5  19 o 69.19646 31.51668 -154.4384      281.5985 -154.4384      281.5985 0.000000       0.000000 69.19646 31.51668 ?        ?        0.000000       31.51668 
1 1 1 20  5  20 o 198.3129 20.09766 1184.441       230.5237 1548.172       319.7278 790.6499       332.6771 225.6625 24.55400 156.8239 36.80683 68.83855       44.24524 
1 1 1 20  5  21 o 218.1774 26.93911 1458.941       337.3881 1458.941       337.3881 0.000000       0.000000 218.1774 26.93911 ?        ?        0.000000       26.93911 
1 1 1 20  5  22 f 249.3769 15.66779 1850.620       227.9891 1782.184       320.4971 1920.728       324.3885 242.7391 22.77920 252.2748 22.14970 -9.535660      31.77264 
1 1 1 20  5  23 o 448.7094 11.62252 5946.169       305.5979 5937.992       443.0022 5953.592       422.1153 446.6280 16.94329 447.5352 16.10877 -0.9072876     23.37878 
1 1 1 20  5  24 o 101.6698 31.42260 320.4240       206.2683 593.4689       319.9478 126.2222       269.8290 135.1364 38.50721 86.20151 34.72918 48.93492       51.85480 
1 1 1 20  5  25 o 83.16544 29.96917 185.2861       186.8354 -30.34310      277.6847 363.6470       252.5504 75.39486 32.99598 108.2295 34.94299 -32.83467      48.05983 
1 1 1 20  5  26 o 170.0441 19.35219 878.1205       189.5634 830.6430       282.2482 917.1343       255.8568 161.2151 30.97748 171.4617 26.28013 -10.24661      40.62326 
1 1 1 20  5  27 o 67.38079 27.80143 53.96959       177.9726 101.4121       276.4525 20.39089       232.5780 84.12791 34.67439 72.39119 30.92951 11.73672       46.46449 
1 1 1 20  5  28 o 245.7961 12.75002 1796.925       183.1678 2059.642       274.6472 1586.464       245.8203 261.4158 18.02434 229.1280 18.44901 32.28780       25.79230 
1 1 1 20  5  29 o 352.9313 10.87838 3690.281       224.8983 3570.146       320.5348 3806.769       315.6303 345.1468 15.87763 356.7788 15.11871 -11.63202      21.92429 
1 1 1 20  5  30 o 98.89136 27.78582 315.9766       167.7837 600.3004       259.2762 111.1255       220.0773 134.1758 33.14538 77.61063 31.33027 56.56519       45.60923 
1 1 1 20  5  31 f 77.78476 27.71689 173.9162       159.3260 385.2674       238.0635 2.449469       214.4275 107.5267 33.83920 67.24351 29.21839 40.28322       44.70800 
1 1 1 20  5  32 o 52.22837 23.73361 -72.35069      158.5437 -229.7077      240.6928 48.25022       210.7150 57.06386 27.02058 69.77488 29.61272 -12.71102      40.08772 
1 1 1 20  5  33 o 46.67208 22.69677 -304.4625      197.5400 0.000000       0.000000 -304.4625      197.5400 ?        ?        46.67208 22.69677 0.000000       22.69677 
1 1 1 20  5  34 o 51.07210 22.70497 -28.59142      136.4565 -129.0795      193.1625 71.51497       192.7953 54.09596 25.16004 68.60468 28.67352 -14.50871      38.14706 
1 1 1 20  5  35 o 80.49776 25.66080 212.3813       136.5096 324.5143       190.2168 93.30035       196.0213 96.89070 30.21281 70.61008 29.15972 26.28062       41.98932 
1 1 1 20  5  36 o 57.96481 24.54790 36.10230       144.2787 -125.8423      213.1884 172.9554       195.9781 56.77792 26.41577 77.90398 30.14484 -21.12606      40.08122 
1 1 1 20  5  37 o 231.3176 12.17856 1620.263       164.6350 1814.610       239.5141 1446.195       226.6744 241.2660 17.03672 214.3770 18.20098 26.88901       24.93041 
1 1 1 20  5  38 o 60.73710 24.24007 83.85129       130.1643 80.98923       195.1439 86.14528       174.7072 67.97982 28.65686 66.23338 27.45687 1.746445       39.68748 
1 1 1 20  5  39 o 73.62135 26.17745 176.1355       142.0478 99.08100       219.2554 231.8714       186.4743 71.34228 30.23941 82.41902 29.90734 -11.07674      42.53082 
1 1 1 20  5  40 o 68.02843 26.19935 134.1276       147.5274 210.4864       225.0497 76.58868       195.3573 80.96288 32.01475 66.69850 28.41748 14.26438       42.80768 
1 1 1 20  5  41 o 49.09323 22.49429 -58.60664      146.2664 -48.08386      216.0966 -67.50341      198.7004 59.97355 27.42767 56.55054 26.02386 3.423012       37.80897 
1 1 1 20  5  42 o 75.68602 28.42563 190.9453       170.9807 474.5579       256.7107 -35.18394      229.2237 107.1166 35.27334 61.92277 28.29230 45.19381       45.21795 
1 1 1 20  5  43 o 97.51362 31.08195 368.9884       200.2847 370.8705       291.6737 367.3091       275.5078 95.02548 36.77396 94.88243 35.98355 0.1430511      51.45037 
1 1 1 20  6  0  o 363.4202 11.94100 3891.391       254.1617 3941.212       399.7009 3857.571       329.3154 364.4805 18.76179 361.2339 15.58100 3.246552       24.38795 
1 1 1 20  6  1  o 318.8064 12.96896 2998.376       241.9775 3183.755       378.7743 2870.551       314.5275 327.2448 19.82896 311.1921 17.30185 16.05273       26.31619 
1 1 1 20  6  2  o 315.8969 15.84316 2952.933       292.5831 2684.385       375.5895 3367.429       466.6192 299.9917 21.49019 335.5445 23.86747 -35.55280      32.11673 
1 1 1 20  6  3  o 217.0110 19.66732 1406.423       247.5945 1259.208       304.4087 1694.187       425.5976 203.8035 26.06371 235.2762 31.64571 -31.47279      40.99717 
1 1 1 20  6  4  o 133.2388 31.02317 554.9615       237.8751 663.9437       299.8553 369.9339       390.7077 145.1677 35.51635 118.7695 43.26225 26.39821       55.97350 
1 1 1 20  6  5  o 171.2553 33.74550 916.2071       326.8712 916.2071       326.8712 0.000000       0.000000 171.2553 33.74550 ?        ?        0.000000       33.74550 
1 1 1 20  6  6  o 394.1883 19.87672 4620.966       458.0314 4620.966       458.0314 0.000000       0.000000 394.1883 19.87672 ?        ?        0.000000       19.87672 
1 1 1 20  6  7  o 159.2464 34.11647 797.3403       309.0367 797.3403       309.0367 0.000000       0.000000 159.2464 34.11647 ?        ?        0.000000       34.11647 
1 1 1 20  6  8  o 118.4756 38.35358 422.9080       304.1305 422.9080       304.1305 0.000000       0.000000 118.4756 38.35358 ?        ?        0.000000       38.35358 
1 1 1 20  6  9  o 271.6900 23.85368 2221.379       376.2298 2221.379       376.2298 0.000000       0.000000 271.6900 23.85368 ?        ?        0.000000       23.85368 
1 1 1 20  6  10 o 287.4178 24.45066 2489.076       408.2408 2489.076       408.2408 0.000000       0.000000 287.4178 24.45066 ?        ?        0.000000       24.45066 
1 1 1 20  6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  6  12 o 489.7616 17.75613 7126.319       509.1717 7126.319       509.1717 0.000000       0.000000 489.7616 17.75613 ?        ?        0.000000       17.75613 
1 1 1 20  6  13 o 458.6424 14.07034 6222.603       378.0207 6222.603       378.0207 0.000000       0.000000 458.6424 14.07034 ?        ?        0.000000       14.07034 
1 1 1 20  6  14 o 142.6578 29.96136 640.1788       242.6836 640.1788       242.6836 0.000000       0.000000 142.6578 29.96136 ?        ?        0.000000       29.96136 
1 1 1 20  6  15 o 320.3702 20.35683 3074.405       380.5053 3074.405       380.5053 0.000000       0.000000 320.3702 20.35683 ?        ?        0.000000       20.35683 
1 1 1 20  6  16 o 247.4951 24.38309 1859.151       349.3290 0.000000       0.000000 1859.151       349.3290 ?        ?        247.4951 24.38309 0.000000       24.38309 
1 1 1 20  6  17 o 57.44858 26.86660 -207.7021      225.1749 -297.5817      301.8519 -94.92950      338.1154 65.30603 30.72023 80.09164 35.66495 -14.78561      47.07145 
1 1 1 20  6  18 o 167.8182 23.01744 859.4079       220.5783 841.8533       293.7776 882.0933       333.9615 163.3797 31.80438 166.1606 35.35725 -2.780930      47.55685 
1 1 1 20  6  19 o 107.2161 32.31032 357.0235       219.9003 412.2712       289.9024 282.1629       337.4590 115.9205 37.43896 106.2009 39.92415 9.719650       54.73220 
1 1 1 20  6  20 o 62.20011 28.58053 -160.6295      238.4058 -158.0060      325.0346 -163.6844      350.7450 75.12241 34.07600 78.21058 35.44548 -3.088165      49.16865 
1 1 1 20  6  21 o 357.4872 19.26072 3818.490       402.3249 3818.490       402.3249 0.000000       0.000000 357.4872 19.26072 ?        ?        0.000000       19.26072 
1 1 1 20  6  22 o 228.1715 16.46552 1553.202       218.8550 1859.477       323.5782 1294.955       297.1263 248.0330 22.48849 205.8173 25.13644 42.21571       33.72792 
1 1 1 20  6  23 o 319.9600 13.35855 3033.511       250.1205 3309.321       363.4521 2785.375       344.7370 332.5849 18.70891 304.8101 19.38492 27.77484       26.94065 
1 1 1 20  6  24 o 42.61062 21.05855 -421.7798      192.6785 -523.2778      289.6693 -341.2359      258.0418 55.07676 26.93663 56.62233 27.13364 -1.545567      38.23371 
1 1 1 20  6  25 o 271.5484 13.55481 2190.965       215.1870 2331.999       317.2164 2070.741       292.8792 278.2402 19.56421 262.2554 19.17455 15.98483       27.39383 
1 1 1 20  6  26 o 95.11098 29.95694 280.2076       186.5353 88.24017       285.3337 423.4853       246.5066 84.29246 35.02876 114.7215 34.12509 -30.42903      48.90333 
1 1 1 20  6  27 o 303.0094 12.00345 2723.087       212.8887 3275.169       339.0479 2363.751       273.5330 330.2857 17.56651 280.7811 16.68608 49.50467       24.22824 
1 1 1 20  6  28 o 40.34911 19.90132 -355.1703      169.1294 -677.0746      259.8190 -118.4681      222.7966 46.14226 23.07091 61.30397 27.96494 -15.16171      36.25334 
1 1 1 20  6  29 o 171.4799 18.12479 894.3062       179.5239 976.2616       265.7217 825.4843       243.5014 175.8409 26.59660 161.4117 26.65203 14.42923       37.65249 
1 1 1 20  6  30 o 49.61343 23.09063 -131.5836      163.1202 -138.5111      258.4407 -126.9965      210.3028 65.05801 29.84326 58.31231 26.81209 6.745693       40.11868 
1 1 1 20  6  31 o 40.54705 19.80153 -270.9467      154.8680 -408.4579      241.4532 -174.8363      201.8595 50.43501 24.65073 53.86222 25.26906 -3.427208      35.30133 
1 1 1 20  6  32 o 39.06630 19.11125 -260.5821      146.0918 -237.0518      207.0151 -283.9268      206.1973 51.32973 24.51764 49.14608 23.72936 2.183647       34.12034 
1 1 1 20  6  33 o 106.6216 24.25436 373.8484       148.2332 279.1379       214.3487 460.6604       205.2163 92.46390 32.21600 115.8990 29.97043 -23.43511      44.00111 
1 1 1 20  6  34 o 77.00745 29.55799 161.9085       187.3384 0.000000       0.000000 161.9085       187.3384 ?        ?        77.00745 29.55799 0.000000       29.55799 
1 1 1 20  6  35 o 42.92932 20.26780 -128.7767      133.5635 -170.3783      192.7170 -90.32510      185.2773 51.50214 24.32442 54.85667 25.20231 -3.354527      35.02619 
1 1 1 20  6  36 o 65.56628 25.18874 112.8129       136.1298 91.65079       199.4601 131.2649       186.2513 70.13658 29.22801 72.61417 28.99070 -2.477585      41.16718 
1 1 1 20  6  37 o 62.58382 24.83688 91.38239       135.9058 191.9705       204.2338 11.44192       182.0697 79.80561 30.80202 60.89944 26.68336 18.90617       40.75250 
1 1 1 20  6  38 o 90.32699 25.73823 283.1252       142.9409 205.9916       205.0371 356.0608       199.3795 80.78416 30.94415 98.66998 30.95637 -17.88581      43.77028 
1 1 1 20  6  39 o 52.30204 23.02113 -2.663858      136.9346 83.53066       202.1854 -75.70482      186.1201 68.34394 29.00638 54.69649 25.17643 13.64745       38.40863 
1 1 1 20  6  40 o 104.3278 25.61944 383.9265       155.5898 297.4576       239.8760 446.7262       204.4256 89.84458 33.68454 108.9138 30.69424 -19.06922      45.57175 
1 1 1 20  6  41 o 45.10947 21.27528 -119.1374      146.4834 -139.1631      228.7029 -105.2077      190.7433 56.58784 26.65660 53.16167 24.81761 3.426170       36.42099 
1 1 1 20  6  42 o 80.99160 28.41788 234.1645       166.9631 -23.46261      244.2663 460.0825       228.7406 64.19363 29.28244 107.3848 33.07278 -43.19113      44.17318 
1 1 1 20  6  43 o 69.40118 28.14055 132.8745       178.4361 269.5321       263.4438 17.04035       242.5434 85.91724 34.41906 66.11961 29.76572 19.79762       45.50462 
1 1 1 20  7  0  f 237.6865 14.64467 1672.516       203.1518 1528.343       293.4223 1805.255       281.5457 225.6836 22.46693 246.0653 19.67333 -20.38171      29.86307 
1 1 1 20  7  1  o 345.3469 11.99156 3515.260       242.5060 3318.318       369.3253 3664.528       321.5310 334.2386 18.91815 351.9933 15.61421 -17.75476      24.52958 
1 1 1 20  7  2  o 161.9992 21.47359 792.4368       198.9980 967.5699       289.6526 635.8781       273.8622 177.5014 28.81135 142.3352 33.38754 35.16620       44.10013 
1 1 1 20  7  3  o 425.1849 14.92762 5341.095       371.6590 5755.997       499.8696 4828.200       555.7745 440.2929 19.40585 401.9306 23.68242 38.36230       30.61771 
1 1 1 20  7  4  o 337.4140 15.23233 3367.643       300.6482 3393.016       387.9384 3329.488       475.7286 337.7144 19.67192 333.2124 24.51538 4.502045       31.43229 
1 1 1 20  7  5  o 263.5872 22.39399 2082.030       342.9093 2082.030       342.9093 0.000000       0.000000 263.5872 22.39399 ?        ?        0.000000       22.39399 
1 1 1 20  7  6  o 227.9694 25.64176 1573.129       336.8888 1573.129       336.8888 0.000000       0.000000 227.9694 25.64176 ?        ?        0.000000       25.64176 
1 1 1 20  7  7  o 330.6753 20.54892 3261.711       396.5426 3261.711       396.5426 0.000000       0.000000 330.6753 20.54892 ?        ?        0.000000       20.54892 
1 1 1 20  7  8  o 219.8388 26.49702 1469.454       334.7455 1469.454       334.7455 0.000000       0.000000 219.8388 26.49702 ?        ?        0.000000       26.49702 
1 1 1 20  7  9  o 333.9999 21.05434 3333.519       410.3203 3333.519       410.3203 0.000000       0.000000 333.9999 21.05434 ?        ?        0.000000       21.05434 
1 1 1 20  7  10 o 167.5721 38.11178 897.2625       366.0645 897.2625       366.0645 0.000000       0.000000 167.5721 38.11178 ?        ?        0.000000       38.11178 
1 1 1 20  7  11 o 285.0692 16.47198 2414.745       274.2163 2414.745       274.2163 0.000000       0.000000 285.0692 16.47198 ?        ?        0.000000       16.47198 
1 1 1 20  7  12 o 308.6280 16.58536 2830.935       299.0973 2830.935       299.0973 0.000000       0.000000 308.6280 16.58536 ?        ?        0.000000       16.58536 
1 1 1 20  7  13 o 478.0639 14.04266 6761.638       393.2919 6761.638       393.2919 0.000000       0.000000 478.0639 14.04266 ?        ?        0.000000       14.04266 
1 1 1 20  7  14 o 533.5330 18.04531 8471.286       563.8332 8471.286       563.8332 0.000000       0.000000 533.5330 18.04531 ?        ?        0.000000       18.04531 
1 1 1 20  7  15 o 374.0168 11.50681 4129.391       252.1040 4041.304       325.4428 4261.564       398.6518 369.1306 15.06460 378.1586 18.02692 -9.028015      23.49281 
1 1 1 20  7  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  7  17 o 325.0827 14.53045 3133.753       276.3278 3597.578       394.9884 2689.152       386.7159 346.8540 19.49569 298.8268 22.22505 48.02719       29.56408 
1 1 1 20  7  18 o 194.5753 20.33171 1141.708       228.5925 1033.792       311.9730 1266.818       335.9099 182.0172 30.28895 202.3080 29.15147 -20.29086      42.03842 
1 1 1 20  7  19 f 104.7026 33.66798 332.3608       234.6135 593.7741       326.8956 54.67127       336.9185 136.0093 38.97717 88.98514 37.59036 47.02415       54.15030 
1 1 1 20  7  20 o 273.9473 16.41555 2233.747       262.5284 2003.404       354.9852 2511.810       390.0264 257.2623 23.79757 288.4825 23.24959 -31.22012      33.26962 
1 1 1 20  7  21 o 168.6964 23.45012 869.7100       225.7430 581.7408       312.2591 1184.988       326.7299 134.5903 37.93739 195.4137 29.42076 -60.82338      48.00861 
1 1 1 20  7  22 o 64.01321 30.08828 -280.3312      288.5554 -280.3312      288.5554 0.000000       0.000000 64.01321 30.08828 ?        ?        0.000000       30.08828 
1 1 1 20  7  23 o 67.81246 28.81383 16.33191       199.9011 198.4379       291.6862 -144.9486      274.5015 94.64982 36.73463 68.41082 31.14261 26.23900       48.15906 
1 1 1 20  7  24 o 319.1209 12.77480 3017.553       238.6061 3217.874       356.8440 2855.563       320.8919 327.6709 18.64602 308.9182 17.78708 18.75262       25.76926 
1 1 1 20  7  25 o 111.8528 28.52874 399.2563       187.7103 467.8672       283.8368 345.9227       250.2492 120.4893 36.79141 105.8907 34.82448 14.59859       50.65918 
1 1 1 20  7  26 o 147.3634 22.72797 671.9050       190.1185 735.6566       289.6278 623.6364       252.0152 150.3013 33.69183 138.8661 31.65089 11.43515       46.22681 
1 1 1 20  7  27 o 126.5901 25.05030 505.6527       179.3919 701.3146       280.3237 369.9481       233.4555 146.4911 33.37576 107.6896 33.45378 38.80146       47.25565 
1 1 1 20  7  28 o 69.06823 28.11418 71.76515       178.9108 -65.81648      269.1440 180.6922       239.4818 71.30355 31.78149 86.83128 33.39603 -15.52773      46.10160 
1 1 1 20  7  29 o 129.2947 25.36976 532.0168       185.5008 337.8354       273.0877 698.3724       252.7650 104.4608 36.36525 146.4582 30.42282 -41.99733      47.41286 
1 1 1 20  7  30 o 91.12260 27.86631 265.2654       162.7505 -35.75040      255.0237 472.0969       211.3947 70.49586 31.20567 119.5458 30.15843 -49.04998      43.39729 
1 1 1 20  7  31 o 96.57497 27.60045 306.2378       164.1337 2.343784       243.3028 560.0440       222.3500 70.83513 30.94566 129.4942 29.88429 -58.65912      43.01982 
1 1 1 20  7  32 o 65.09068 25.74966 90.08277       145.6447 -69.05891      216.7561 221.0749       196.6536 61.88223 27.97262 85.31809 30.74631 -23.43586      41.56684 
1 1 1 20  7  33 f 94.21743 25.67918 295.4888       145.7440 31.93252       214.6588 520.8888       198.5130 68.26081 29.44716 124.2941 27.91666 -56.03333      40.57678 
1 1 1 20  7  34 o 86.19759 25.45086 246.8601       137.5266 218.7615       209.5273 268.1280       182.2890 84.69205 31.53601 89.60438 29.73263 -4.912331      43.34223 
1 1 1 20  7  35 o 58.47657 24.24739 50.76175       136.2984 22.35382       222.0389 67.93857       172.6556 67.62000 29.55131 65.25831 27.19404 2.361687       40.15963 
1 1 1 20  7  36 o 50.91157 22.44215 -12.04501      130.5818 110.6147       201.7503 -100.4766      171.3038 71.94545 29.63407 51.50434 23.86479 20.44111       38.04874 
1 1 1 20  7  37 o 202.5991 11.82899 1242.422       139.9401 879.4966       202.2833 1575.545       193.7997 164.5019 21.47967 226.3746 14.67649 -61.87268      26.01491 
1 1 1 20  7  38 o 74.94777 25.91883 184.5006       138.6199 123.7885       208.4679 232.6214       185.5958 72.84670 30.07612 82.86895 29.86864 -10.02225      42.38760 
1 1 1 20  7  39 o 139.7385 19.91672 635.5548       158.6098 379.0041       230.6314 865.7793       218.4780 99.47386 33.45217 160.0910 24.00915 -60.61719      41.17629 
1 1 1 20  7  40 o 147.9383 17.79259 700.5300       151.2776 753.5675       236.0443 663.5612       197.0696 144.3744 28.88676 138.4406 25.20011 5.933838       38.33393 
1 1 1 20  7  41 o 81.27264 28.76504 233.8886       171.3452 335.0847       265.2369 161.4092       224.4705 92.83060 35.28288 75.81705 31.24648 17.01355       47.12987 
1 1 1 20  7  42 o 65.28624 27.22881 93.43631       173.3125 76.66478       271.7407 104.9364       225.0187 72.57542 32.16483 70.85587 30.35160 1.719543       44.22438 
1 1 1 20  7  43 f 93.67328 29.78605 335.4021       184.0225 328.6408       273.0095 341.0320       249.1221 90.96716 35.47310 92.29253 34.38282 -1.325371      49.40162 
1 1 1 20  8  0  o 248.8789 15.16438 1834.981       220.2912 2096.592       286.2803 1455.196       344.9312 265.4623 18.50400 218.8051 27.48459 46.65718       33.13307 
1 1 1 20  8  1  o 72.47554 29.20790 75.21977       190.9155 129.2288       226.7439 -56.33301      353.8771 82.54322 32.28740 85.07207 37.23949 -2.528854      49.28748 
1 1 1 20  8  2  o 272.7320 13.27428 2197.569       211.6855 2166.361       298.2188 2229.264       300.5316 269.7370 18.97243 273.6721 18.83940 -3.935059      26.73717 
1 1 1 20  8  3  o 483.1028 15.12073 6897.187       427.8857 7323.296       575.4244 6370.157       639.9490 496.4572 19.80287 461.6429 23.71629 34.81427       30.89686 
1 1 1 20  8  4  o 112.7272 35.15678 386.3219       257.5526 386.3219       257.5526 0.000000       0.000000 112.7272 35.15678 ?        ?        0.000000       35.15678 
1 1 1 20  8  5  o 82.67898 33.72491 88.48120       258.0947 88.48120       258.0947 0.000000       0.000000 82.67898 33.72491 ?        ?        0.000000       33.72491 
1 1 1 20  8  6  o 585.2943 22.16862 10218.82       759.5875 10218.82       759.5875 0.000000       0.000000 585.2943 22.16862 ?        ?        0.000000       22.16862 
1 1 1 20  8  7  o 237.3675 23.47099 1697.922       322.4682 1697.922       322.4682 0.000000       0.000000 237.3675 23.47099 ?        ?        0.000000       23.47099 
1 1 1 20  8  8  o 117.1609 38.28999 412.7291       302.7367 412.7291       302.7367 0.000000       0.000000 117.1609 38.28999 ?        ?        0.000000       38.28999 
1 1 1 20  8  9  o 160.1927 37.28565 818.7839       343.7066 818.7839       343.7066 0.000000       0.000000 160.1927 37.28565 ?        ?        0.000000       37.28565 
1 1 1 20  8  10 o 277.9937 24.40845 2332.503       393.9118 2332.503       393.9118 0.000000       0.000000 277.9937 24.40845 ?        ?        0.000000       24.40845 
1 1 1 20  8  11 o 246.1629 28.62743 1854.980       405.5894 1854.980       405.5894 0.000000       0.000000 246.1629 28.62743 ?        ?        0.000000       28.62743 
1 1 1 20  8  12 o 752.4869 20.78749 16906.50       916.5056 16906.50       916.5056 0.000000       0.000000 752.4869 20.78749 ?        ?        0.000000       20.78749 
1 1 1 20  8  13 f 279.8315 16.67861 2330.901       272.4784 2330.901       272.4784 0.000000       0.000000 279.8315 16.67861 ?        ?        0.000000       16.67861 
1 1 1 20  8  14 o 426.8387 14.69757 5398.205       367.3766 5398.205       367.3766 0.000000       0.000000 426.8387 14.69757 ?        ?        0.000000       14.69757 
1 1 1 20  8  15 o 579.3892 18.27694 9997.859       620.2701 0.000000       0.000000 9997.859       620.2701 ?        ?        579.3892 18.27694 0.000000       18.27694 
1 1 1 20  8  16 o 233.1692 16.35830 1620.719       222.2775 1570.359       280.7388 1705.330       363.8922 228.2333 21.21655 236.0926 26.75179 -7.859314      34.14381 
1 1 1 20  8  17 o 189.6209 22.60609 1092.056       246.4533 1344.740       348.8767 840.3530       348.1994 208.4457 29.34992 161.4289 37.49754 47.01685       47.61810 
1 1 1 20  8  18 o 331.2874 14.44695 3253.440       280.0181 3324.177       398.1939 3184.237       393.8526 333.0799 20.48337 325.8893 20.71413 7.190643       29.13149 
1 1 1 20  8  19 o 68.11446 30.23694 -69.53932      241.1133 14.68081       319.2127 -181.4238      367.9232 84.29505 36.13020 79.51675 36.14221 4.778297       51.10432 
1 1 1 20  8  20 o 214.2931 20.12243 1381.621       249.9354 1231.763       343.7978 1549.598       363.9899 198.9924 30.42371 224.4349 28.27991 -25.44249      41.53740 
1 1 1 20  8  21 o 106.6784 32.66069 352.7813       223.4883 312.2205       322.1964 390.3930       310.2618 107.5824 39.27133 114.3478 38.79900 -6.765327      55.20507 
1 1 1 20  8  22 o 283.9563 14.40837 2393.970       239.1636 2771.888       353.0310 2073.400       325.1442 303.9515 19.91391 262.2463 21.32441 41.70517       29.17695 
1 1 1 20  8  23 o 130.3223 27.85547 536.0417       206.4458 260.3716       304.2897 771.1523       281.0143 101.0884 37.93052 155.6134 31.86482 -54.52503      49.53878 
1 1 1 20  8  24 o 115.8020 37.93085 418.9633       297.0085 418.9633       297.0085 0.000000       0.000000 115.8020 37.93085 ?        ?        0.000000       37.93085 
1 1 1 20  8  25 o 132.7566 26.27402 555.8419       197.3219 609.3286       292.1857 510.9946       267.5494 136.2438 36.02356 125.2551 35.04938 10.98871       50.26088 
1 1 1 20  8  26 o 191.7586 17.66669 1109.524       196.4510 1111.479       298.2536 1108.025       261.0883 188.1417 27.87207 189.4139 24.04414 -1.272202      36.80996 
1 1 1 20  8  27 o 155.1261 21.05163 739.7766       186.5852 651.6035       286.6039 804.6362       245.8109 140.4823 34.93351 159.5928 27.23945 -19.11046      44.29828 
1 1 1 20  8  28 o 175.7940 18.85632 940.9118       191.3722 929.5370       296.1006 949.0717       250.7903 169.7547 30.87895 174.0921 25.30326 -4.337372      39.92198 
1 1 1 20  8  29 o 323.3102 11.86271 3106.924       224.5520 2798.349       332.2329 3366.442       304.6818 303.7625 18.74034 334.9630 15.55199 -31.20050      24.35293 
1 1 1 20  8  30 o 102.0573 25.76272 337.9442       154.1933 263.4995       254.1794 381.2923       193.9581 94.80719 34.83651 107.4690 29.75702 -12.66180      45.81553 
1 1 1 20  8  31 f 169.0305 16.88193 874.0326       165.1183 956.8101       256.8472 815.7258       215.5650 172.1902 26.26413 160.1371 23.66467 12.05302       35.35281 
1 1 1 20  8  32 o 50.29361 22.80606 -62.47393      145.4462 21.93081       220.2509 -127.7450      193.6844 68.52357 29.69445 54.59052 25.32285 13.93304       39.02573 
1 1 1 20  8  33 o 145.6589 17.39602 658.5677       145.6720 660.8758       228.0735 656.9774       189.3195 139.6803 28.79858 142.4081 23.48583 -2.727844      37.16103 
1 1 1 20  8  34 o 132.5325 18.96307 554.1879       143.1988 305.4790       220.8395 734.6282       188.1039 94.80231 32.71782 151.3069 21.82812 -56.50455      39.33094 
1 1 1 20  8  35 o 105.1836 23.73849 368.8040       142.9497 285.8601       220.3547 429.0755       187.8391 91.75335 32.60613 110.9906 28.65932 -19.23724      43.41102 
1 1 1 20  8  36 o 45.34461 21.02843 -87.63508      133.4290 -26.31159      211.0122 -128.4900      172.2331 62.17951 27.89642 49.91802 23.39389 12.26149       36.40720 
1 1 1 20  8  37 o 88.69294 25.39226 270.7360       138.8029 -3.933363      200.1482 525.2369       192.6599 61.99064 27.53196 122.5751 27.48066 -60.58447      38.89981 
1 1 1 20  8  38 o 61.91596 24.83421 88.20656       137.3221 24.67149       208.6961 136.7193       182.3625 64.68586 28.44793 71.71874 28.66860 -7.032883      40.38779 
1 1 1 20  8  39 o 57.97202 24.79211 38.58194       149.6874 4.004668       248.2285 58.34037       187.6431 67.19695 30.19320 64.49853 27.67412 2.698425       40.95713 
1 1 1 20  8  40 o 51.45378 23.71252 -72.45583      165.8119 -377.3462      251.7955 160.9926       220.3289 50.44565 24.76282 75.92046 31.08666 -25.47482      39.74390 
1 1 1 20  8  41 o 61.66639 26.53523 51.75370       173.4559 -1.302015      259.8409 94.40052       232.9619 67.16209 30.46610 70.93729 30.63968 -3.775208      43.20848 
1 1 1 20  8  42 o 49.25335 23.04068 -102.4138      165.8092 -178.8088      251.7219 -43.86250      220.3721 57.29207 27.27338 60.29531 27.62095 -3.003242      38.81693 
1 1 1 20  9  0  o 223.6437 15.96497 1485.423       208.0222 1696.514       257.4155 1088.087       353.1669 238.5831 18.54236 186.9073 33.44641 51.67583       38.24240 
1 1 1 20  9  1  o 44.77947 21.56940 -252.8300      167.9360 -110.8243      199.9604 -592.7585      309.3747 58.89416 26.71974 56.37245 27.62622 2.521706       38.43374 
1 1 1 20  9  2  o 442.0628 12.02048 5760.388       311.3529 5817.643       481.0835 5719.122       408.4239 442.6685 18.57194 439.6284 15.86674 3.040009       24.42684 
1 1 1 20  9  3  o 504.2798 12.46524 7493.643       368.6573 7371.690       572.4171 7580.080       481.9080 497.9861 19.63800 506.0588 16.25835 -8.072723      25.49480 
1 1 1 20  9  4  o 332.2308 18.26765 3281.042       354.5672 3281.042       354.5672 0.000000       0.000000 332.2308 18.26765 ?        ?        0.000000       18.26765 
1 1 1 20  9  5  o 199.4246 26.24335 1211.590       299.4948 1211.590       299.4948 0.000000       0.000000 199.4246 26.24335 ?        ?        0.000000       26.24335 
1 1 1 20  9  6  o 127.3064 36.31634 509.7664       284.4208 509.7664       284.4208 0.000000       0.000000 127.3064 36.31634 ?        ?        0.000000       36.31634 
1 1 1 20  9  7  o 70.70767 31.82082 -120.3841      276.9361 -120.3841      276.9361 0.000000       0.000000 70.70767 31.82082 ?        ?        0.000000       31.82082 
1 1 1 20  9  8  o 372.4536 20.25278 4139.256       440.7276 4139.256       440.7276 0.000000       0.000000 372.4536 20.25278 ?        ?        0.000000       20.25278 
1 1 1 20  9  9  o 220.9174 27.00338 1489.577       342.5994 1489.577       342.5994 0.000000       0.000000 220.9174 27.00338 ?        ?        0.000000       27.00338 
1 1 1 20  9  10 o 171.3291 25.71854 900.5190       250.4500 900.5190       250.4500 0.000000       0.000000 171.3291 25.71854 ?        ?        0.000000       25.71854 
1 1 1 20  9  11 o 342.3949 20.80528 3509.775       415.8118 3509.775       415.8118 0.000000       0.000000 342.3949 20.80528 ?        ?        0.000000       20.80528 
1 1 1 20  9  12 o 173.7302 26.04915 928.3080       257.2392 928.3080       257.2392 0.000000       0.000000 173.7302 26.04915 ?        ?        0.000000       26.04915 
1 1 1 20  9  13 o 249.4026 27.32665 1902.249       393.1669 1902.249       393.1669 0.000000       0.000000 249.4026 27.32665 ?        ?        0.000000       27.32665 
1 1 1 20  9  14 o 486.9442 18.29174 7064.507       521.4493 7064.507       521.4493 0.000000       0.000000 486.9442 18.29174 ?        ?        0.000000       18.29174 
1 1 1 20  9  15 o 162.3344 21.02259 800.0814       195.4507 985.0170       246.0385 483.7595       321.7787 179.5572 23.96175 124.3165 39.37019 55.24067       46.08879 
1 1 1 20  9  16 o 60.06162 27.25816 -110.7673      208.3044 -47.39458      254.6142 -239.0365      362.2366 71.55614 31.44734 76.08927 35.05947 -4.533134      47.09673 
1 1 1 20  9  17 o 191.0947 19.73638 1099.987       218.0117 1035.208       272.8823 1214.293       362.4865 183.5161 26.08832 196.7372 32.55376 -13.22107      41.71748 
1 1 1 20  9  18 o 104.5319 33.54191 331.6548       232.9466 498.0417       328.1251 162.5815       330.7633 126.0305 39.73648 95.96686 38.52501 30.06361       55.34586 
1 1 1 20  9  19 o 275.4839 17.20737 2262.170       276.6223 1937.321       373.2620 2657.960       412.0075 252.3290 25.57582 296.5602 23.89075 -44.23123      34.99843 
1 1 1 20  9  20 o 77.97013 32.19886 68.13604       239.0077 -389.7988      337.6271 528.1428       338.3900 66.67912 31.69764 129.2294 40.29732 -62.55029      51.27001 
1 1 1 20  9  21 o 57.21085 26.41039 -153.0537      206.9406 -68.02831      306.8395 -223.9954      280.2773 77.44272 34.25755 65.36729 30.36990 12.07543       45.78112 
1 1 1 20  9  22 o 141.1697 25.78558 620.7950       205.6216 992.4839       335.6494 397.5066       260.1532 176.5302 33.64822 112.8211 35.35595 63.70903       48.80825 
1 1 1 20  9  23 o 47.53108 23.25600 -400.7341      216.5922 -504.5581      330.6061 -322.6646      286.6833 61.44320 29.75855 61.73362 29.30686 -0.2904205     41.76677 
1 1 1 20  9  24 o 83.22626 30.93964 174.6107       201.5203 -80.47450      320.0736 342.1346       259.3855 77.80527 34.67022 105.9206 35.47474 -28.11532      49.60324 
1 1 1 20  9  25 o 269.8563 20.99285 2208.073       329.6302 2208.073       329.6302 0.000000       0.000000 269.8563 20.99285 ?        ?        0.000000       20.99285 
1 1 1 20  9  26 o 55.00014 25.40021 -136.9177      191.6954 36.27506       289.7151 -271.7905      255.6633 80.81891 34.52502 58.78253 27.83847 22.03638       44.35040 
1 1 1 20  9  27 o 117.4399 28.26477 443.8336       192.3130 219.0416       297.4491 605.2922       252.0884 95.47450 37.08434 136.1596 32.09623 -40.68509      49.04504 
1 1 1 20  9  28 o 256.9582 14.25364 1973.810       213.9606 2359.328       329.5269 1692.820       281.3289 278.3568 20.32554 235.4518 20.57998 42.90503       28.92513 
1 1 1 20  9  29 o 57.71463 25.64050 -43.28043      173.7226 -107.2631      268.6130 2.724089       227.7698 68.23244 30.96132 69.58879 30.17638 -1.356346      43.23444 
1 1 1 20  9  30 o 35.39722 17.70360 -405.3992      153.4969 -393.5320      240.7495 -413.5275      199.2471 50.87906 24.81258 43.44231 21.45941 7.436749       32.80503 
1 1 1 20  9  31 o 90.67718 26.38558 269.3702       148.7449 134.2719       238.0670 355.8820       190.5074 80.10921 32.49630 102.9401 29.83368 -22.83086      44.11415 
1 1 1 20  9  32 o 58.83571 24.47828 44.05434       139.5678 82.80581       219.6429 17.81146       180.7502 73.13547 30.58876 62.65158 27.02437 10.48389       40.81652 
1 1 1 20  9  33 o 75.25520 26.58648 172.3672       146.3194 -1.935898      223.6732 302.7540       193.4543 66.67002 29.38084 94.46298 30.58971 -27.79296      42.41420 
1 1 1 20  9  34 o 86.32915 25.85773 249.0500       141.1570 163.2282       220.1505 308.9648       183.9450 79.45505 31.58553 94.83768 29.73116 -15.38264      43.37727 
1 1 1 20  9  35 o 104.6523 23.24436 364.5252       138.9532 456.9270       233.8406 314.0893       172.7626 111.7217 33.23782 95.05874 28.63694 16.66296       43.87285 
1 1 1 20  9  36 o 209.5493 12.80445 1334.870       156.6099 1142.350       240.5618 1476.484       206.3201 187.1983 22.35280 218.1192 16.24528 -30.92085      27.63253 
1 1 1 20  9  37 f 115.5269 21.13085 438.8185       137.8954 343.8552       217.4859 502.6595       178.3211 96.78687 32.48428 120.7292 25.95711 -23.94230      41.58125 
1 1 1 20  9  38 o 106.1411 24.97005 390.1331       152.8210 184.7417       249.9314 512.7764       193.1309 80.70882 33.08528 119.9077 27.97731 -39.19889      43.32858 
1 1 1 20  9  39 o 51.00727 23.26919 -53.02501      154.2837 -26.36714      239.5461 -71.92229      201.6861 64.29143 29.19874 56.91731 26.20209 7.374115       39.23157 
1 1 1 20  9  40 o 89.86242 28.93677 295.9657       173.2666 434.2365       265.1992 192.9851       228.8678 103.2539 35.84255 79.17470 31.95406 24.07923       48.01823 
1 1 1 20  9  41 o 60.64615 26.51423 32.88833       178.9014 167.5802       271.0690 -71.05742      238.1291 78.71190 33.50298 60.92039 28.19612 17.79151       43.78894 
1 1 1 20  9  42 o 71.29115 28.27815 151.2720       176.0912 342.3079       271.3855 12.35566       231.4226 92.71133 35.57832 64.88044 29.15270 27.83089       45.99670 
1 1 1 20  10 0  o 400.4106 13.12663 4732.781       307.8378 5053.247       416.5465 4347.131       456.9502 412.7802 17.24454 381.9056 20.47637 30.87460       26.77043 
1 1 1 20  10 1  o 295.9893 11.89413 2585.027       206.0507 2445.277       287.8155 2731.960       295.1212 286.8911 17.18469 303.4150 16.64870 -16.52386      23.92682 
1 1 1 20  10 2  o 336.5461 11.82226 3340.659       232.9811 3367.714       337.8421 3316.126       321.7189 336.8348 17.15850 334.4009 16.45486 2.433868       23.77345 
1 1 1 20  10 3  f 234.4483 15.73568 1632.254       215.1101 1697.090       272.6676 1525.393       350.0519 238.2525 19.68960 223.8030 27.22927 14.44952       33.60228 
1 1 1 20  10 4  o 294.2163 18.33895 2576.938       314.8667 2576.938       314.8667 0.000000       0.000000 294.2163 18.33895 ?        ?        0.000000       18.33895 
1 1 1 20  10 5  o 456.6771 19.04743 6202.712       509.0279 6202.712       509.0279 0.000000       0.000000 456.6771 19.04743 ?        ?        0.000000       19.04743 
1 1 1 20  10 6  o 350.7845 18.97077 3664.518       388.8275 3664.518       388.8275 0.000000       0.000000 350.7845 18.97077 ?        ?        0.000000       18.97077 
1 1 1 20  10 7  o 151.3083 33.55692 724.0383       289.9751 724.0383       289.9751 0.000000       0.000000 151.3083 33.55692 ?        ?        0.000000       33.55692 
1 1 1 20  10 8  o 97.80879 36.77901 229.8322       286.4256 229.8322       286.4256 0.000000       0.000000 97.80879 36.77901 ?        ?        0.000000       36.77901 
1 1 1 20  10 9  o 337.2159 20.92040 3403.378       411.7035 3403.378       411.7035 0.000000       0.000000 337.2159 20.92040 ?        ?        0.000000       20.92040 
1 1 1 20  10 10 o 332.7263 21.35291 3318.857       414.4728 3318.857       414.4728 0.000000       0.000000 332.7263 21.35291 ?        ?        0.000000       21.35291 
1 1 1 20  10 11 o 299.8460 23.13311 2710.252       403.6585 2710.252       403.6585 0.000000       0.000000 299.8460 23.13311 ?        ?        0.000000       23.13311 
1 1 1 20  10 12 o 253.3981 27.26388 1962.768       398.8069 1962.768       398.8069 0.000000       0.000000 253.3981 27.26388 ?        ?        0.000000       27.26388 
1 1 1 20  10 13 o 105.5131 34.76290 333.8679       249.3233 333.8679       249.3233 0.000000       0.000000 105.5131 34.76290 ?        ?        0.000000       34.76290 
1 1 1 20  10 14 f 371.9098 14.89025 4102.212       324.1241 4102.212       324.1241 0.000000       0.000000 371.9098 14.89025 ?        ?        0.000000       14.89025 
1 1 1 20  10 15 o 194.6137 18.48971 1137.146       208.5027 1317.721       265.6942 847.6841       336.3945 208.6562 22.04493 162.4644 36.22885 46.19174       42.40882 
1 1 1 20  10 16 o 414.7306 13.27769 5088.006       322.5367 4453.552       417.5181 6026.984       507.9292 386.3927 18.47806 449.2797 19.32201 -62.88699      26.73535 
1 1 1 20  10 17 o 358.5790 12.59926 3801.067       264.5483 3913.022       328.5340 3594.596       446.1557 363.0921 15.46353 345.7934 22.11575 17.29874       26.98568 
1 1 1 20  10 18 o 78.06039 31.22978 101.6205       216.5863 386.8968       276.6046 -350.4747      348.2101 112.6619 36.58503 69.65141 32.83545 43.01053       49.15924 
1 1 1 20  10 19 o 241.7917 18.89460 1751.211       265.8090 1800.687       366.6516 1696.401       385.9085 242.9236 26.14676 234.8117 28.61309 8.111923       38.76032 
1 1 1 20  10 20 o 404.4787 12.64869 4836.823       299.6798 4557.434       421.0271 5123.726       426.6514 390.8257 18.42045 414.7576 17.57982 -23.93192      25.46297 
1 1 1 20  10 21 o 89.24755 32.12265 213.2491       214.5757 371.4619       333.3005 101.2594       280.4170 113.4280 40.12126 85.56469 35.05696 27.86330       53.27951 
1 1 1 20  10 22 o 272.6163 15.15624 2211.824       241.3687 1797.794       369.9007 2518.833       318.5256 241.9579 26.50021 289.8497 18.83998 -47.89182      32.51471 
1 1 1 20  10 23 o 537.2451 12.23304 8535.052       385.4404 8656.130       569.5308 8432.732       523.5568 538.1073 18.07234 531.7961 16.80791 6.311157       24.68027 
1 1 1 20  10 24 o 175.7523 21.42882 944.0634       216.3156 1602.642       334.9519 472.8658       283.3220 227.9773 25.48752 120.9333 36.72424 107.0439       44.70216 
1 1 1 20  10 25 o 178.2583 20.12574 967.9413       206.7287 1095.048       325.0062 881.5697       267.9129 185.3782 30.98677 167.0181 28.36492 18.36014       42.00891 
1 1 1 20  10 26 o 266.7633 14.28822 2122.641       222.7242 2101.329       337.6303 2139.060       296.3506 262.3475 22.15068 266.0371 19.12140 -3.689575      29.26227 
1 1 1 20  10 27 o 161.5594 34.18214 858.4147       313.7565 858.4147       313.7565 0.000000       0.000000 161.5594 34.18214 ?        ?        0.000000       34.18214 
1 1 1 20  10 28 o 159.4011 22.07865 788.5553       200.8669 656.4309       322.7011 872.1267       256.6479 138.7077 38.37352 165.4759 27.40385 -26.76817      47.15398 
1 1 1 20  10 29 o 164.4804 18.36953 828.2472       174.1778 1011.064       286.2981 720.8209       219.4652 177.1328 28.52809 150.2764 25.83234 26.85645       38.48587 
1 1 1 20  10 30 o 43.52239 20.86348 -198.0921      152.8616 -197.2076      241.7142 -198.6816      197.3332 58.96984 27.66082 51.76844 24.49915 7.201397       36.95036 
1 1 1 20  10 31 o 60.79795 24.99413 55.38065       143.1563 115.7049       228.6561 16.49187       183.5900 77.27689 31.65840 63.18840 27.24574 14.08849       41.76823 
1 1 1 20  10 32 o 130.5690 19.84097 538.6099       147.1586 526.4702       215.4917 549.2186       201.4450 123.8571 29.98942 127.8673 27.66745 -4.010231      40.80261 
1 1 1 20  10 33 o 178.8823 14.05600 973.4576       146.2781 982.8068       234.2991 967.4858       187.2558 174.3503 23.51259 176.1113 18.40122 -1.761078      29.85711 
1 1 1 20  10 34 o 76.84595 26.06590 188.8157       140.0328 127.4263       226.1372 226.9964       178.3396 76.47610 31.42380 83.65808 29.36880 -7.181984      43.01142 
1 1 1 20  10 35 o 82.50507 25.82218 229.0914       138.8138 294.5820       233.8083 193.4400       172.5079 92.36574 33.49268 78.53574 28.72499 13.83000       44.12352 
1 1 1 20  10 36 o 90.11717 25.63824 279.3532       141.9427 385.4549       230.8378 214.8448       179.9925 102.0041 33.44127 81.10236 29.38956 20.90170       44.52039 
1 1 1 20  10 37 f 71.77119 26.41719 158.5392       146.2677 471.3479       229.2803 -56.12848      189.9375 111.8239 32.82069 56.82288 25.88210 55.00106       41.79810 
1 1 1 20  10 38 o 72.19834 26.79828 162.8755       151.0728 29.21749       236.5167 254.9871       196.3457 67.76806 30.02241 85.23161 30.72131 -17.46355      42.95514 
1 1 1 20  10 39 o 69.14253 29.88293 75.73338       221.8673 0.000000       0.000000 75.73338       221.8673 ?        ?        69.14253 29.88293 0.000000       29.88293 
1 1 1 20  10 40 o 93.02415 29.59918 322.4518       181.6959 322.4944       281.3914 322.4212       237.9505 91.94886 35.96782 91.82716 33.71196 0.1217041      49.29686 
1 1 1 20  10 41 o 56.99452 25.64939 -16.57448      179.9320 -281.1579      290.1905 148.6813       229.3402 57.80120 27.96719 74.68656 31.24846 -16.88536      41.93602 
1 1 1 20  10 42 o 58.46398 26.01196 6.640178       179.4655 -104.6711      281.4473 82.91118       232.9739 63.60262 29.83833 69.62840 30.35252 -6.025780      42.56291 
1 1 1 20  11 0  o 222.9265 13.15967 1470.983       171.2855 1603.685       224.9933 1288.056       264.1626 232.1740 16.63385 206.7269 22.13236 25.44707       27.68621 
1 1 1 20  11 1  o 46.32682 21.80003 -161.3513      152.2432 -238.5462      175.8082 70.09765       304.4194 46.99364 22.48656 86.77924 36.13152 -39.78559      42.55740 
1 1 1 20  11 2  o 98.76820 26.56005 303.0730       157.1690 273.2580       200.0856 351.1088       253.9692 96.06229 31.10974 108.2496 35.04868 -12.18735      46.86390 
1 1 1 20  11 3  o 311.7560 21.86606 2911.415       397.2584 0.000000       0.000000 2911.415       397.2584 ?        ?        311.7560 21.86606 0.000000       21.86606 
1 1 1 20  11 4  o 93.91041 29.97356 263.0605       186.2055 189.3332       222.6101 434.8234       339.7781 87.91576 32.54908 120.8684 40.60310 -32.95266      52.03896 
1 1 1 20  11 5  o 259.5635 19.04659 2012.040       287.9233 2012.040       287.9233 0.000000       0.000000 259.5635 19.04659 ?        ?        0.000000       19.04659 
1 1 1 20  11 6  o 237.9250 20.27815 1696.975       280.2620 1696.975       280.2620 0.000000       0.000000 237.9250 20.27815 ?        ?        0.000000       20.27815 
1 1 1 20  11 7  o 246.3228 21.69274 1824.316       310.1803 1824.316       310.1803 0.000000       0.000000 246.3228 21.69274 ?        ?        0.000000       21.69274 
1 1 1 20  11 8  o 232.0686 23.35861 1628.313       313.5967 1628.313       313.5967 0.000000       0.000000 232.0686 23.35861 ?        ?        0.000000       23.35861 
1 1 1 20  11 9  o 231.1069 18.03433 1596.227       242.5010 1596.227       242.5010 0.000000       0.000000 231.1069 18.03433 ?        ?        0.000000       18.03433 
1 1 1 20  11 10 o 502.3612 18.58649 7517.862       546.6566 7517.862       546.6566 0.000000       0.000000 502.3612 18.58649 ?        ?        0.000000       18.58649 
1 1 1 20  11 11 o 365.9879 20.81423 4013.171       444.9215 4013.171       444.9215 0.000000       0.000000 365.9879 20.81423 ?        ?        0.000000       20.81423 
1 1 1 20  11 12 o 183.5909 23.45484 1027.243       246.7826 1027.243       246.7826 0.000000       0.000000 183.5909 23.45484 ?        ?        0.000000       23.45484 
1 1 1 20  11 13 o 479.8102 17.53265 6852.019       492.5345 6852.019       492.5345 0.000000       0.000000 479.8102 17.53265 ?        ?        0.000000       17.53265 
1 1 1 20  11 14 o 213.9856 29.66960 1418.435       362.3411 1418.435       362.3411 0.000000       0.000000 213.9856 29.66960 ?        ?        0.000000       29.66960 
1 1 1 20  11 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  11 16 o 213.6707 18.29604 1367.900       227.0684 1454.669       286.8447 1222.267       371.6159 219.1900 22.63931 197.0861 33.33806 22.10391       40.29844 
1 1 1 20  11 17 o 49.76714 24.20820 -383.5609      225.1232 -69.29871      283.8970 -915.9304      369.5059 74.38310 32.92569 56.18437 28.00142 18.19873       43.22246 
1 1 1 20  11 18 o 321.7939 13.44238 3065.586       253.1320 3574.915       332.5836 2364.288       390.2593 346.7615 16.40030 279.5038 24.04092 67.25763       29.10216 
1 1 1 20  11 19 o 611.5417 11.68856 11033.50       419.2158 10905.83       535.9767 11234.67       672.8052 606.7802 15.06135 613.9215 18.70825 -7.141357      24.01755 
1 1 1 20  11 20 o 82.06597 32.05611 136.3243       223.2515 240.9589       318.5607 35.33385       312.9644 100.8947 38.58989 84.67950 36.01949 16.21523       52.78809 
1 1 1 20  11 21 o 127.9391 29.20564 519.0338       214.3002 367.0185       344.2486 615.2173       273.8286 113.4226 40.70412 138.2615 34.00845 -24.83883      53.04149 
1 1 1 20  11 22 o 144.5645 27.35983 656.1772       223.4737 675.3177       358.6314 644.0276       285.7286 143.2270 40.75421 141.0209 34.77078 2.206100       53.57156 
1 1 1 20  11 23 o 56.01793 26.13351 -181.8941      210.9351 -387.3302      322.5599 -28.40293      278.8134 64.16400 30.63596 75.55754 33.06517 -11.39354      45.07624 
1 1 1 20  11 24 o 156.7223 23.89548 761.6611       212.6954 718.0436       330.4841 792.5023       277.8978 147.0574 38.03592 157.1633 31.25034 -10.10588      49.22718 
1 1 1 20  11 25 o 162.0145 21.87410 807.7849       202.5376 669.7756       310.3100 910.2141       267.3336 141.9966 36.92226 169.8679 27.79477 -27.87132      46.21474 
1 1 1 20  11 26 o 177.2044 18.80973 954.2205       192.5001 758.2889       289.8382 1108.864       257.4954 152.2096 33.38877 189.3341 23.70771 -37.12444      40.94955 
1 1 1 20  11 27 o 83.94138 30.21454 196.4948       189.8441 339.1300       315.8537 115.8221       237.5394 106.8881 38.90337 80.39198 32.51493 26.49615       50.70200 
1 1 1 20  11 28 o 65.97346 30.77272 -217.3905      292.2718 -217.3905      292.2718 0.000000       0.000000 65.97346 30.77272 ?        ?        0.000000       30.77272 
1 1 1 20  11 29 o 116.1820 25.21127 436.0294       166.8395 606.5350       292.8711 354.1127       202.9987 132.4695 36.52182 103.5743 31.00555 28.89516       47.90811 
1 1 1 20  11 30 o 68.44965 27.12577 99.01598       161.8898 -76.27718      256.7592 214.6879       208.5727 67.36454 30.44829 85.78506 31.55082 -18.42052      43.84692 
1 1 1 20  11 31 o 92.68488 27.62511 285.6255       161.4170 259.6427       243.2698 306.0631       215.7551 91.77757 34.01727 95.93637 32.35566 -4.158806      46.94745 
1 1 1 20  11 32 o 110.9076 24.26488 405.6505       153.4317 545.4664       252.7258 324.0359       193.0882 123.5878 33.86854 97.41486 30.44968 26.17297       45.54406 
1 1 1 20  11 33 o 113.0271 22.08795 415.6036       141.1646 578.6734       230.1080 317.1981       178.7535 128.5728 30.90084 96.17886 29.16263 32.39391       42.48907 
1 1 1 20  11 34 o 53.70488 23.29917 5.461922       135.9092 -89.71934      229.9206 56.58184       168.4989 61.29345 28.12828 63.52118 26.69429 -2.227730      38.77867 
1 1 1 20  11 35 o 80.53487 25.64665 217.6695       136.3869 416.0779       238.2771 120.9908       166.3289 105.7854 33.92147 69.39725 27.49711 36.38817       43.66643 
1 1 1 20  11 36 o 195.7260 13.69879 1172.951       156.2537 1150.185       250.8151 1187.391       199.7530 186.5489 23.44136 194.2179 17.73232 -7.669037      29.39273 
1 1 1 20  11 37 o 150.6186 18.00575 721.9661       155.9052 512.9956       243.1309 867.8976       203.1760 115.5380 33.76632 162.4330 21.88411 -46.89499      40.23777 
1 1 1 20  11 38 o 49.19280 22.65412 -72.04937      150.9528 -212.2844      240.9108 18.59982       193.6912 55.30877 26.42659 62.08543 27.35143 -6.776661      38.03242 
1 1 1 20  11 39 o 41.59388 20.34732 -262.0139      165.5753 -131.8042      254.4244 -357.6744      218.0737 60.25833 28.30116 46.44923 22.84955 13.80910       36.37386 
1 1 1 20  11 40 o 60.74021 28.05651 -68.26628      234.0504 0.000000       0.000000 -68.26628      234.0504 ?        ?        60.74021 28.05651 0.000000       28.05651 
1 1 1 20  11 41 o 69.60029 28.18406 133.0401       178.7182 -170.0535      269.3157 371.5395       238.9004 59.64201 28.34021 96.23710 33.97423 -36.59509      44.24269 
1 1 1 20  11 42 o 46.50481 22.38011 -194.7175      179.8341 8.979915       266.7336 -364.4733      243.4991 67.69123 30.76964 49.19487 24.18927 18.49636       39.13939 
1 1 1 20  12 0  o 404.3347 12.95971 4828.258       306.9202 5069.570       410.4307 4522.123       462.2823 413.2901 16.96911 389.2751 20.31918 24.01501       26.47300 
1 1 1 20  12 1  o 137.8661 19.43266 575.6508       152.7699 586.8212       187.5805 553.6467       263.2731 138.1425 24.02500 132.1909 33.82376 5.951523       41.48792 
1 1 1 20  12 2  o 312.5620 13.00297 2887.517       237.8373 2967.388       301.5874 2756.135       386.8007 316.1536 16.32063 303.1620 21.90281 12.99158       27.31476 
1 1 1 20  12 3  o 223.4244 15.23520 1483.123       198.4372 1503.486       240.0516 1439.179       352.6359 224.2950 18.41071 216.6188 28.44405 7.676224       33.88242 
1 1 1 20  12 4  f 307.6035 13.96603 2800.664       251.2930 2670.616       313.3263 3035.132       420.7138 299.4568 17.92272 317.8757 22.71701 -18.41891      28.93590 
1 1 1 20  12 5  o 302.7541 17.68023 2728.965       312.5607 2728.965       312.5607 0.000000       0.000000 302.7541 17.68023 ?        ?        0.000000       17.68023 
1 1 1 20  12 6  o 309.3044 18.03329 2850.474       325.7047 2850.474       325.7047 0.000000       0.000000 309.3044 18.03329 ?        ?        0.000000       18.03329 
1 1 1 20  12 7  o 143.3195 29.63767 644.7609       240.8852 644.7609       240.8852 0.000000       0.000000 143.3195 29.63767 ?        ?        0.000000       29.63767 
1 1 1 20  12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  12 9  o 93.16726 31.87206 248.0764       209.4331 248.0764       209.4331 0.000000       0.000000 93.16726 31.87206 ?        ?        0.000000       31.87206 
1 1 1 20  12 10 o 208.5656 33.39110 1365.241       394.6627 1365.241       394.6627 0.000000       0.000000 208.5656 33.39110 ?        ?        0.000000       33.39110 
1 1 1 20  12 11 o 253.0152 21.33823 1927.607       313.6839 1927.607       313.6839 0.000000       0.000000 253.0152 21.33823 ?        ?        0.000000       21.33823 
1 1 1 20  12 12 o 540.0005 18.17814 8686.706       574.8767 8686.706       574.8767 0.000000       0.000000 540.0005 18.17814 ?        ?        0.000000       18.17814 
1 1 1 20  12 13 o 417.4113 19.66153 5208.641       479.9651 5208.641       479.9651 0.000000       0.000000 417.4113 19.66153 ?        ?        0.000000       19.66153 
1 1 1 20  12 14 o 119.6461 33.62713 453.9908       245.7066 453.9908       245.7066 0.000000       0.000000 119.6461 33.62713 ?        ?        0.000000       33.62713 
1 1 1 20  12 15 o 457.3642 18.75105 6239.306       501.8990 6239.306       501.8990 0.000000       0.000000 457.3642 18.75105 ?        ?        0.000000       18.75105 
1 1 1 20  12 16 o 170.0065 23.36462 882.6259       226.8013 616.3248       280.9585 1380.764       384.2648 138.7622 34.63501 210.2105 32.19265 -71.44832      47.28584 
1 1 1 20  12 17 o 337.9657 13.18335 3379.707       260.8046 3500.355       329.5646 3177.549       426.6052 343.1121 16.42544 324.8877 22.52893 18.22440       27.88096 
1 1 1 20  12 18 o 249.6803 16.16063 1856.716       235.3714 2055.350       308.5082 1580.072       364.0835 261.6300 20.26399 226.6883 27.97866 34.94170       34.54612 
1 1 1 20  12 19 o 372.0655 11.60365 4088.543       252.8909 4051.002       327.1917 4144.249       398.5602 369.4300 15.13352 372.6342 18.29321 -3.204254      23.74163 
1 1 1 20  12 20 o 257.2074 13.98036 1964.260       210.0954 1749.601       287.5874 2209.942       307.6677 240.9453 20.54758 271.3391 19.46317 -30.39371      28.30226 
1 1 1 20  12 21 o 233.5043 15.41620 1625.651       209.9356 1391.216       298.0343 1856.531       295.7662 213.2899 24.25608 248.0906 20.51079 -34.80067      31.76555 
1 1 1 20  12 22 o 236.8892 16.86557 1680.386       232.7807 1583.858       385.5499 1735.758       292.0110 225.0313 29.95724 239.4361 21.00765 -14.40477      36.58904 
1 1 1 20  12 23 o 219.4025 18.14226 1449.938       231.3596 1171.608       360.5682 1644.732       301.6441 191.0679 33.39216 232.2093 22.42834 -41.14139      40.22520 
1 1 1 20  12 24 o 180.9277 20.21093 997.3242       210.7989 581.2979       321.5345 1310.932       279.1646 132.3981 38.86877 206.4783 23.46940 -74.08014      45.40478 
1 1 1 20  12 25 o 254.2492 14.81803 1931.330       219.9957 1909.042       342.2715 1947.020       287.1728 249.2389 23.70044 253.6037 19.45659 -4.364761      30.66382 
1 1 1 20  12 26 o 247.5788 14.52135 1832.214       209.9230 2025.733       341.9159 1715.134       265.9486 256.8387 22.94032 237.8090 19.23256 19.02971       29.93576 
1 1 1 20  12 27 f 263.6499 21.70543 2132.082       332.6491 2132.082       332.6491 0.000000       0.000000 263.6499 21.70543 ?        ?        0.000000       21.70543 
1 1 1 20  12 28 o 190.5750 16.31087 1099.358       180.5517 1148.228       301.0434 1071.904       225.6374 189.3832 27.94262 186.2745 21.02087 3.108643       34.96666 
1 1 1 20  12 29 o 130.3204 22.52672 538.8984       165.9452 509.8536       289.5763 553.1008       202.4927 121.0691 37.19815 129.8884 27.44303 -8.819260      46.22578 
1 1 1 20  12 30 o 77.86591 33.04626 78.14323       262.4072 78.14323       262.4072 0.000000       0.000000 77.86591 33.04626 ?        ?        0.000000       33.04626 
1 1 1 20  12 31 o 65.24641 26.43251 80.41315       157.2729 -115.9713      250.3248 208.4863       202.1526 63.54410 29.23030 83.71336 31.01299 -20.16925      42.61708 
1 1 1 20  12 32 o 63.69759 25.78438 78.25249       149.5183 -167.5410      245.7417 222.7283       188.4045 59.91154 28.03414 84.10168 30.12082 -24.19014      41.14822 
1 1 1 20  12 33 o 212.1940 12.47973 1359.741       154.6206 1206.990       248.8063 1455.851       197.3575 193.8778 22.28666 217.8773 15.54729 -23.99953      27.17376 
1 1 1 20  12 34 o 52.14856 22.93357 -9.510038      135.6214 -142.9728      235.2041 56.96574       165.9956 58.95680 27.53472 63.04633 26.49503 -4.089531      38.21187 
1 1 1 20  12 35 o 141.3099 17.64281 630.3661       143.0379 619.3044       245.9892 636.0170       175.8172 129.8225 32.41048 139.1513 22.29649 -9.328796      39.33920 
1 1 1 20  12 36 o 44.85711 21.13196 -123.0179      143.7681 -273.9530      253.2780 -51.26808      174.6275 54.96199 26.47786 54.89550 24.93097 0.6648636E-01  36.36798 
1 1 1 20  12 37 o 100.4868 25.71913 353.6958       152.1905 173.8454       258.1057 449.5543       188.4331 80.26092 33.33125 111.5305 28.65614 -31.26960      43.95619 
1 1 1 20  12 38 o 44.42525 21.12082 -144.5611      149.9771 -162.2909      250.5485 -134.6609      187.2252 58.54617 27.67647 51.23808 24.13097 7.308090       36.71907 
1 1 1 20  12 39 o 49.64640 23.05337 -87.86282      161.1615 64.37920       258.3782 -184.8117      206.1864 71.39186 31.51501 51.41545 24.53376 19.97641       39.93871 
1 1 1 20  12 40 o 75.50892 27.77936 192.5405       161.7082 -18.96685      268.5400 312.8695       202.5495 66.85993 30.57633 90.65096 31.33147 -23.79103      43.77868 
1 1 1 20  12 41 o 63.16544 27.31804 56.03099       185.6635 -17.23585      286.5606 109.0380       243.7415 68.39172 31.39190 72.48538 31.32454 -4.093658      44.34724 
1 1 1 20  13 0  o 339.0555 10.99778 3390.297       218.3995 3275.093       305.5766 3510.595       312.2589 332.2501 15.72675 344.0660 15.51462 -11.81595      22.09149 
1 1 1 20  13 1  o 225.9592 13.67373 1513.432       180.3558 1520.395       211.6711 1494.984       344.5522 226.0205 16.07335 221.1532 27.13297 4.867371       31.53649 
1 1 1 20  13 2  o 184.3816 16.37399 1014.978       175.2215 1049.900       211.0240 937.4437       314.4346 186.8604 19.54465 172.8561 32.20118 14.00432       37.66841 
1 1 1 20  13 3  o 442.9046 13.35460 5797.873       346.4936 5876.419       464.7387 5699.566       519.9241 444.5255 17.86269 436.8686 20.34855 7.656982       27.07654 
1 1 1 20  13 4  o 256.6530 14.51022 1953.928       217.5195 2151.041       271.8511 1603.159       362.6470 268.6866 17.34447 228.8628 27.57321 39.82381       32.57472 
1 1 1 20  13 5  o 220.3663 18.91860 1454.950       242.1394 1454.950       242.1394 0.000000       0.000000 220.3663 18.91860 ?        ?        0.000000       18.91860 
1 1 1 20  13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  13 7  o 248.3927 18.63305 1845.858       269.4613 1845.858       269.4613 0.000000       0.000000 248.3927 18.63305 ?        ?        0.000000       18.63305 
1 1 1 20  13 8  o 79.81070 29.86949 151.2924       188.4431 151.2924       188.4431 0.000000       0.000000 79.81070 29.86949 ?        ?        0.000000       29.86949 
1 1 1 20  13 9  o 181.1681 20.15567 990.9641       210.5343 990.9641       210.5343 0.000000       0.000000 181.1681 20.15567 ?        ?        0.000000       20.15567 
1 1 1 20  13 10 o 278.2505 16.15744 2304.268       262.5348 2304.268       262.5348 0.000000       0.000000 278.2505 16.15744 ?        ?        0.000000       16.15744 
1 1 1 20  13 11 o 156.3818 26.38043 757.8084       233.3464 757.8084       233.3464 0.000000       0.000000 156.3818 26.38043 ?        ?        0.000000       26.38043 
1 1 1 20  13 12 o 200.4728 21.01811 1214.271       243.4458 1214.271       243.4458 0.000000       0.000000 200.4728 21.01811 ?        ?        0.000000       21.01811 
1 1 1 20  13 13 o 214.4758 27.19776 1413.322       334.4253 1413.322       334.4253 0.000000       0.000000 214.4758 27.19776 ?        ?        0.000000       27.19776 
1 1 1 20  13 14 o 341.8016 21.39710 3508.348       426.7715 3508.348       426.7715 0.000000       0.000000 341.8016 21.39710 ?        ?        0.000000       21.39710 
1 1 1 20  13 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  13 16 o 289.2326 14.77977 2482.767       249.8753 2826.490       324.0285 1978.470       392.4839 307.7821 18.02999 254.5594 26.68568 53.22269       32.20568 
1 1 1 20  13 17 o 271.7688 15.37395 2195.321       244.0399 2009.462       302.6762 2540.607       412.5485 258.7232 20.10538 289.5468 24.52484 -30.82361      31.71268 
1 1 1 20  13 18 o 415.7321 11.48692 5102.635       279.8023 5022.723       356.0293 5231.716       452.4930 411.5519 14.77460 418.7342 18.47111 -7.182281      23.65313 
1 1 1 20  13 19 o 118.7109 29.49883 446.9140       204.4711 656.8375       279.8866 206.6447       299.4337 143.0616 33.88398 96.18917 37.25024 46.87240       50.35578 
1 1 1 20  13 20 o 183.1221 19.31893 1012.779       204.3560 882.4987       279.6204 1162.141       299.3983 167.5713 29.53095 193.7711 27.08456 -26.19980      40.07057 
1 1 1 20  13 21 o 56.24974 25.92835 -140.3741      198.4010 2.419709       279.9020 -284.5629      281.2659 77.91279 33.61843 62.47024 29.46861 15.44255       44.70568 
1 1 1 20  13 22 o 219.7062 16.31867 1446.104       208.7688 1451.552       302.8996 1441.174       288.1404 217.4390 24.15998 217.1110 22.97764 0.3280487      33.34181 
1 1 1 20  13 23 o 305.9405 13.72947 2784.040       245.7159 2511.058       371.4204 2996.495       327.6673 287.2341 22.22119 315.9438 17.75512 -28.70978      28.44338 
1 1 1 20  13 24 o 131.3030 27.74194 550.2744       206.9277 641.6752       329.5017 490.7525       265.9015 138.4537 38.95126 122.3776 35.17933 16.07608       52.48605 
1 1 1 20  13 25 o 257.3409 14.57905 1978.379       219.1334 1682.190       335.0421 2199.803       289.6852 233.1076 24.89187 269.9615 18.40686 -36.85387      30.95832 
1 1 1 20  13 26 o 190.7501 17.96241 1103.639       198.5807 1001.586       323.9605 1165.065       251.3362 175.1764 32.73645 194.2665 22.47406 -19.09012      39.70841 
1 1 1 20  13 27 o 206.2798 16.95865 1288.039       203.3526 1205.158       326.4612 1340.586       259.9413 193.4647 29.72184 208.5123 21.56754 -15.04759      36.72256 
1 1 1 20  13 28 o 76.34711 28.37286 155.3010       169.4441 -20.29326      303.6148 234.7320       204.2033 77.13450 34.10121 88.54073 31.39602 -11.40623      46.35302 
1 1 1 20  13 29 o 74.97967 27.25309 158.7564       154.9315 84.94029       280.0020 191.3291       185.9996 80.59652 34.16776 81.52554 29.82576 -0.9290161     45.35429 
1 1 1 20  13 30 o 128.1100 22.42715 526.6880       162.3673 548.8996       285.1930 516.0360       197.4999 123.4849 36.69878 124.1181 27.82154 -0.6332245     46.05256 
1 1 1 20  13 31 o 107.2710 36.89748 408.1155       280.7870 408.1155       280.7870 0.000000       0.000000 107.2710 36.89748 ?        ?        0.000000       36.89748 
1 1 1 20  13 32 o 93.22350 26.38649 293.0992       150.7367 51.74638       258.9931 416.7335       185.3667 74.25239 32.18859 110.0760 28.49403 -35.82357      42.98855 
1 1 1 20  13 33 o 50.54094 22.89737 -53.71680      146.2106 -56.23527      250.7033 -52.41869      179.9898 65.94363 29.91823 56.38289 25.48810 9.560738       39.30323 
1 1 1 20  13 34 o 92.83945 25.64258 295.4490       144.2285 624.4628       260.9716 150.7665       173.0590 129.4716 33.95596 73.37548 28.34491 56.09609       44.23167 
1 1 1 20  13 35 o 54.84418 23.60946 19.25139       137.4238 -153.6104      252.1472 92.29533       163.9067 60.15289 28.22710 65.83002 26.86681 -5.677135      38.96915 
1 1 1 20  13 36 o 80.99838 27.18821 223.9216       152.3508 226.0719       271.9873 222.9385       183.9101 85.72598 34.74907 81.63210 29.68946 4.093880       45.70516 
1 1 1 20  13 37 o 130.2646 21.99799 565.3052       162.0798 527.7338       284.8653 583.2903       197.0914 113.4283 37.14701 128.6260 26.98917 -15.19772      45.91640 
1 1 1 20  13 38 o 183.9532 16.49308 1067.742       176.0479 1075.248       277.5769 1062.690       227.7040 173.6920 28.21664 178.5968 22.21840 -4.904709      35.91429 
1 1 1 20  13 39 o 58.95573 25.46050 37.49850       160.8107 382.0397       255.3792 -188.8788      207.0052 97.66869 35.05764 51.24711 24.48881 46.42157       42.76377 
1 1 1 20  13 40 o 53.20234 23.97582 -24.70741      157.8358 -289.2415      285.1009 92.19982       189.5302 56.91493 27.58187 66.69486 28.18496 -9.779930      39.43540 
1 1 1 20  13 41 o 73.34452 27.57834 177.8505       161.0410 520.5302       264.7680 -23.36178      202.8844 110.8984 35.77592 59.27334 26.90072 51.62505       44.76120 
1 1 1 20  14 0  o 274.3724 11.35878 2223.006       182.3822 1974.897       229.8124 2645.139       299.7625 257.8378 15.26597 298.0408 17.22284 -40.20297      23.01469 
1 1 1 20  14 1  o 359.6146 12.56732 3821.621       264.6443 3869.953       338.3867 3745.499       424.6656 361.0209 16.02189 353.7406 20.55830 7.280304       26.06424 
1 1 1 20  14 2  o 166.7752 17.14180 833.9538       165.2790 882.9682       194.2869 705.5834       314.4226 171.0661 19.72634 148.2653 36.42606 22.80086       41.42446 
1 1 1 20  14 3  o 47.98774 22.21368 -119.1079      147.8806 -62.37923      170.2493 -293.4406      298.4513 56.56956 25.24146 65.04356 30.58112 -8.474003      39.65270 
1 1 1 20  14 4  f 385.2356 13.06236 4388.542       294.6932 4385.407       380.4439 4393.243       465.9571 384.0091 16.93433 382.9916 20.82297 1.017456       26.83967 
1 1 1 20  14 5  o 74.94571 29.30206 109.2516       186.6810 109.2516       186.6810 0.000000       0.000000 74.94571 29.30206 ?        ?        0.000000       29.30206 
1 1 1 20  14 6  o 269.5904 17.12864 2166.914       269.4177 2166.914       269.4177 0.000000       0.000000 269.5904 17.12864 ?        ?        0.000000       17.12864 
1 1 1 20  14 7  o 225.3227 18.19541 1519.881       238.4025 1519.881       238.4025 0.000000       0.000000 225.3227 18.19541 ?        ?        0.000000       18.19541 
1 1 1 20  14 8  o 398.7323 17.54263 4734.957       409.2252 4734.957       409.2252 0.000000       0.000000 398.7323 17.54263 ?        ?        0.000000       17.54263 
1 1 1 20  14 9  o 141.6505 24.76888 620.8236       198.2783 620.8236       198.2783 0.000000       0.000000 141.6505 24.76888 ?        ?        0.000000       24.76888 
1 1 1 20  14 10 o 111.6006 29.90233 393.1470       199.6556 393.1470       199.6556 0.000000       0.000000 111.6006 29.90233 ?        ?        0.000000       29.90233 
1 1 1 20  14 11 o 404.8157 19.17981 4896.151       454.0621 4896.151       454.0621 0.000000       0.000000 404.8157 19.17981 ?        ?        0.000000       19.17981 
1 1 1 20  14 12 o 489.4172 13.84243 7090.013       396.9224 7090.013       396.9224 0.000000       0.000000 489.4172 13.84243 ?        ?        0.000000       13.84243 
1 1 1 20  14 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  14 14 o 366.9475 14.66169 3992.109       314.8932 3992.109       314.8932 0.000000       0.000000 366.9475 14.66169 ?        ?        0.000000       14.66169 
1 1 1 20  14 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  14 16 o 332.7266 17.00459 3296.449       330.7209 3296.449       330.7209 0.000000       0.000000 332.7266 17.00459 ?        ?        0.000000       17.00459 
1 1 1 20  14 17 o 72.76437 30.35773 45.47033       215.5369 -30.45864      262.6014 202.2192       377.3076 73.77270 32.19078 103.0041 41.21585 -29.23135      52.29716 
1 1 1 20  14 18 o 196.8302 18.55773 1164.554       211.6951 998.6271       269.3607 1432.611       342.3646 179.8700 26.31267 215.5160 27.72867 -35.64595      38.22612 
1 1 1 20  14 19 o 473.6833 10.88403 6619.672       302.3627 6614.567       400.6570 6626.426       460.8432 472.1842 14.48520 471.7180 16.68417 0.4661560      22.09486 
1 1 1 20  14 20 o 293.5317 12.78257 2553.857       219.5236 2510.451       293.3490 2609.103       330.9466 289.7245 17.34369 294.7218 19.25214 -4.997284      25.91232 
1 1 1 20  14 21 o 103.2135 30.80484 336.1998       200.6094 550.1439       287.7506 133.8796       279.8245 129.8079 36.35760 87.47097 35.32187 42.33695       50.69033 
1 1 1 20  14 22 o 336.1133 11.71970 3346.113       230.6682 3488.574       334.4149 3216.816       318.5885 341.4466 16.75097 327.8975 16.62112 13.54910       23.59781 
1 1 1 20  14 23 o 144.9191 23.16362 652.4797       190.2453 693.7166       268.4287 610.8602       269.6707 146.2025 32.17960 136.5211 33.84945 9.681366       46.70452 
1 1 1 20  14 24 o 256.7162 14.73600 1969.059       220.9301 1989.901       347.7383 1954.951       286.0910 254.4727 23.56801 254.1044 19.34269 0.3682556      30.48919 
1 1 1 20  14 25 o 180.1620 19.53731 990.4216       203.1323 1174.548       324.0603 871.2484       260.7095 191.8362 29.76767 165.5881 27.83215 26.24802       40.75221 
1 1 1 20  14 26 o 238.8056 15.00113 1711.096       209.0351 1800.717       354.2298 1663.213       258.9243 239.9998 25.55931 233.8171 19.04676 6.182663       31.87565 
1 1 1 20  14 27 o 39.40138 19.58458 -413.8926      175.8779 -696.1873      322.2288 -294.1061      209.9021 53.87974 26.73462 49.83263 24.03121 4.047115       35.94772 
1 1 1 20  14 28 o 124.6523 23.28538 496.7931       163.9711 17.33908       291.9796 717.6570       198.1716 77.64463 33.91078 150.4373 23.20685 -72.79263      41.09135 
1 1 1 20  14 29 o 54.37791 24.18618 -34.28474      155.0291 123.7950       294.2818 -95.00760      182.3901 84.22059 35.32811 54.80330 25.11372 29.41729       43.34483 
1 1 1 20  14 30 o 148.2233 18.55156 685.4490       157.7456 842.6769       275.9957 609.1688       192.2399 156.9005 31.09294 136.4236 24.94620 20.47690       39.86332 
1 1 1 20  14 31 o 101.4268 25.56059 344.9049       151.9650 144.7747       273.9880 433.8243       182.6306 82.63679 34.33169 112.8572 27.78209 -30.22046      44.16458 
1 1 1 20  14 32 o 111.0269 22.53899 403.8899       141.7432 311.0774       255.2989 445.2484       170.4230 95.80443 34.95969 114.9526 25.90182 -19.14812      43.50959 
1 1 1 20  14 33 o 73.50330 32.05159 52.90204       259.9585 52.90204       259.9585 0.000000       0.000000 73.50330 32.05159 ?        ?        0.000000       32.05159 
1 1 1 20  14 34 o 99.17519 24.63002 335.3475       142.6058 406.2336       285.9525 311.8816       164.5252 103.4758 37.10230 94.33513 27.83292 9.140640       46.38159 
1 1 1 20  14 35 o 137.3607 19.28069 606.3646       151.0525 869.3969       275.4594 493.2576       180.6332 154.8716 31.40329 119.1540 26.53038 35.71766       41.10995 
1 1 1 20  14 36 f 141.8189 19.11907 648.1805       154.9728 737.5839       287.1408 611.4349       184.0858 137.3129 35.42271 134.1520 24.29179 3.160873       42.95183 
1 1 1 20  14 37 o 41.35167 20.01118 -199.7757      148.7164 -261.6073      271.4883 -173.2682      177.7584 57.06212 27.47022 47.76582 22.78881 9.296299       35.69234 
1 1 1 20  14 38 f 168.7344 16.15674 897.6924       157.9342 600.2004       265.3717 1060.854       196.5287 121.8693 35.17849 181.4215 18.74026 -59.55219      39.85879 
1 1 1 20  14 39 f 61.08216 25.35620 75.92385       149.2835 -209.7200      256.3172 222.5559       183.6453 56.67180 27.12668 79.87949 29.56540 -23.20770      40.12443 
1 1 1 20  14 40 o 48.32735 22.55548 -94.10512      157.4051 -2.318067      276.3788 -138.1702      191.4967 68.24307 31.13661 51.18061 24.19502 17.06247       39.43206 
1 1 1 20  14 41 o 69.18980 27.24957 143.8013       162.4519 135.5620       285.3209 147.7536       197.6098 76.48257 33.45991 71.93112 29.44527 4.551453       44.57117 
1 1 1 20  15 0  o 296.4291 11.30656 2594.893       196.2027 2572.879       257.6456 2625.283       302.7169 294.3911 14.97187 296.7299 17.47234 -2.338867      23.00955 
1 1 1 20  15 1  o 199.3835 13.77158 1180.912       160.0468 1115.051       185.4826 1372.866       316.6539 193.1620 16.53189 211.7921 26.04076 -18.63007      30.84517 
1 1 1 20  15 2  o 59.03254 24.48008 30.55455       138.9440 -56.24143      155.1679 381.7203       312.1103 54.09014 24.11882 113.6481 38.90741 -59.55798      45.77667 
1 1 1 20  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  15 4  o 188.7235 15.59837 1062.672       171.1053 1193.082       197.9311 677.0004       340.3821 199.7192 17.06157 144.5665 39.17772 55.15277       42.73162 
1 1 1 20  15 5  o 255.3339 13.47876 1932.548       201.1259 2035.067       238.9188 1683.185       372.6186 261.5566 15.64675 234.1522 27.66792 27.40440       31.78576 
1 1 1 20  15 6  o 173.9166 19.08660 911.7683       191.4844 911.7683       191.4844 0.000000       0.000000 173.9166 19.08660 ?        ?        0.000000       19.08660 
1 1 1 20  15 7  o 105.7336 26.76806 351.3351       166.1211 351.3351       166.1211 0.000000       0.000000 105.7336 26.76806 ?        ?        0.000000       26.76806 
1 1 1 20  15 8  o 332.3743 13.90035 3273.663       270.3610 3273.663       270.3610 0.000000       0.000000 332.3743 13.90035 ?        ?        0.000000       13.90035 
1 1 1 20  15 9  o 187.9451 19.13649 1063.441       207.9936 1063.441       207.9936 0.000000       0.000000 187.9451 19.13649 ?        ?        0.000000       19.13649 
1 1 1 20  15 10 o 262.9000 15.64665 2056.377       240.1560 2056.377       240.1560 0.000000       0.000000 262.9000 15.64665 ?        ?        0.000000       15.64665 
1 1 1 20  15 11 o 339.8398 14.17843 3423.204       281.9667 3423.204       281.9667 0.000000       0.000000 339.8398 14.17843 ?        ?        0.000000       14.17843 
1 1 1 20  15 12 o 455.2087 20.18645 6198.688       537.5757 6198.688       537.5757 0.000000       0.000000 455.2087 20.18645 ?        ?        0.000000       20.18645 
1 1 1 20  15 13 o 308.0146 21.14148 2849.668       379.5905 2849.668       379.5905 0.000000       0.000000 308.0146 21.14148 ?        ?        0.000000       21.14148 
1 1 1 20  15 14 o 466.6738 20.73520 6519.578       566.0911 6519.578       566.0911 0.000000       0.000000 466.6738 20.73520 ?        ?        0.000000       20.73520 
1 1 1 20  15 15 o 323.9155 23.13321 3165.355       436.5659 3165.355       436.5659 0.000000       0.000000 323.9155 23.13321 ?        ?        0.000000       23.13321 
1 1 1 20  15 16 f 72.26526 29.81595 57.59790       204.6916 157.5243       241.1132 -200.2581      387.3195 86.13937 33.40771 80.85455 36.87888 5.284821       49.76070 
1 1 1 20  15 17 o 242.0918 15.70212 1746.059       221.7378 1741.898       266.8071 1755.350       398.6984 240.9193 19.03782 238.2964 29.13346 2.622879       34.80226 
1 1 1 20  15 18 o 58.08072 26.31661 -98.01277      193.2127 -113.7565      246.6445 -73.00537      310.8503 65.95214 29.82307 77.44285 34.35761 -11.49071      45.49573 
1 1 1 20  15 19 o 255.9320 14.01535 1946.850       209.5648 1789.586       280.0906 2146.848       315.8621 243.7178 19.76518 266.8748 20.33393 -23.15697      28.35720 
1 1 1 20  15 20 o 361.7407 11.56976 3871.486       245.1396 3719.487       338.3243 4039.485       355.6866 352.9897 16.38730 367.8342 16.53012 -14.84454      23.27635 
1 1 1 20  15 21 o 94.40533 30.66666 272.4381       194.3414 280.3243       282.5255 265.3552       267.7498 100.5395 36.76269 98.05923 35.79901 2.480309       51.31340 
1 1 1 20  15 22 o 232.6386 14.89315 1617.206       202.1305 1489.020       283.2353 1750.247       288.5503 220.6833 22.18469 240.0272 20.70000 -19.34396      30.34222 
1 1 1 20  15 23 o 245.7150 13.85279 1800.215       198.8186 1671.136       292.4652 1911.119       271.0933 233.9727 21.55583 251.5954 18.50178 -17.62274      28.40722 
1 1 1 20  15 24 o 142.0250 22.11200 626.1911       178.1872 777.4679       268.2742 506.7705       238.3595 155.1693 30.56755 124.3126 32.37770 30.85673       44.52741 
1 1 1 20  15 25 o 152.4195 20.76432 717.1714       180.7915 659.5468       295.8917 751.5001       228.3799 140.0401 35.87150 153.9250 26.23884 -13.88483      44.44369 
1 1 1 20  15 26 o 263.3799 13.17823 2071.951       202.9124 1835.836       340.8066 2201.615       252.5552 242.6335 24.27568 270.3631 15.99943 -27.72954      29.07388 
1 1 1 20  15 27 o 110.8527 25.82996 399.9597       164.8016 668.4965       310.0803 294.2442       194.5547 138.3277 37.35332 95.40285 30.65750 42.92483       48.32342 
1 1 1 20  15 28 o 224.9754 13.77385 1524.598       180.8649 1698.375       322.8002 1445.080       218.3593 231.4098 24.13945 217.3705 17.27043 14.03932       29.68132 
1 1 1 20  15 29 o 233.3975 15.37198 1657.148       209.2435 0.000000       0.000000 1657.148       209.2435 ?        ?        233.3975 15.37198 0.000000       15.37198 
1 1 1 20  15 30 o 230.3022 12.54158 1597.467       168.7559 1508.824       300.2029 1638.419       204.0475 216.3868 24.06204 231.8920 15.08547 -15.50520      28.39988 
1 1 1 20  15 31 o 59.27093 24.75002 46.35128       143.4501 -272.6648      265.8748 177.3529       170.3763 57.87436 27.68220 77.28569 28.50014 -19.41133      39.73112 
1 1 1 20  15 32 o 176.0696 14.45691 948.7914       147.9693 1338.637       271.2770 783.6804       176.5447 203.1263 23.18654 157.1966 19.57240 45.92972       30.34295 
1 1 1 20  15 33 o 84.33702 27.12917 241.8448       152.3227 -108.8570      281.3972 387.1956       181.1588 66.12291 30.62040 104.7015 28.66762 -38.57857      41.94570 
1 1 1 20  15 34 o 64.42201 25.72281 97.25856       146.6444 61.46194       277.2514 111.1628       172.7931 74.80194 32.84657 68.71889 27.75399 6.083054       43.00210 
1 1 1 20  15 35 o 71.51709 26.13078 158.9065       142.7003 -114.6578      270.8036 264.0710       167.9034 63.85594 29.73011 86.73116 28.52524 -22.87522      41.20156 
1 1 1 20  15 36 o 46.12542 21.51421 -96.18745      142.8429 -374.6707      266.3804 16.21019       169.2316 52.67157 25.77529 58.75442 25.73495 -6.082851      36.42325 
1 1 1 20  15 37 o 108.1972 23.18979 400.9775       142.7276 616.5544       265.7536 313.5900       169.2010 123.9888 35.01566 92.61239 28.43041 31.37645       45.10415 
1 1 1 20  15 38 o 105.5021 24.57917 389.8100       149.2473 66.57314       269.6523 532.5610       179.1980 72.29290 32.04024 122.9779 25.67623 -50.68503      41.05905 
1 1 1 20  15 39 o 54.80674 24.70806 -22.77433      167.8032 349.1762       295.8029 -199.2674      203.7622 93.31786 36.76479 50.08896 24.03151 43.22890       43.92225 
1 1 1 20  15 40 o 58.74400 25.65587 30.06295       167.1260 70.34277       282.9737 8.486545       207.1056 72.73697 32.49280 61.89972 27.71411 10.83725       42.70660 
1 1 1 20  16 0  o 242.5891 12.68507 1743.023       179.8470 1708.969       209.4037 1838.763       351.1110 239.7332 14.96849 245.8797 24.68189 -6.146484      28.86610 
1 1 1 20  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  16 2  o 77.00616 26.59792 164.7265       145.9611 169.4056       161.3316 143.6211       342.6387 79.12012 27.92017 95.55553 38.90269 -16.43542      47.88481 
1 1 1 20  16 3  o 287.0785 13.05594 2440.524       219.2407 2501.401       259.3120 2287.932       410.5460 290.1214 15.29428 274.0494 25.84898 16.07202       30.03472 
1 1 1 20  16 4  o 455.7119 13.43833 6145.796       358.7662 6534.108       485.3401 5677.994       532.7053 468.3450 17.70159 435.1769 20.93371 33.16809       27.41471 
1 1 1 20  16 5  o 436.0175 13.22361 5624.955       337.7554 5652.510       438.2039 5584.625       530.1362 435.7538 17.18053 431.5340 21.01015 4.219818       27.14032 
1 1 1 20  16 6  o 340.6042 12.92180 3432.948       257.6531 3432.948       257.6531 0.000000       0.000000 340.6042 12.92180 ?        ?        0.000000       12.92180 
1 1 1 20  16 7  o 366.9370 16.43149 4005.190       352.7084 4005.190       352.7084 0.000000       0.000000 366.9370 16.43149 ?        ?        0.000000       16.43149 
1 1 1 20  16 8  o 476.9074 13.60401 6731.667       380.1086 6731.667       380.1086 0.000000       0.000000 476.9074 13.60401 ?        ?        0.000000       13.60401 
1 1 1 20  16 9  o 208.3588 16.87007 1297.674       204.3865 1297.674       204.3865 0.000000       0.000000 208.3588 16.87007 ?        ?        0.000000       16.87007 
1 1 1 20  16 10 o 480.6890 13.75612 6839.272       387.4037 6839.272       387.4037 0.000000       0.000000 480.6890 13.75612 ?        ?        0.000000       13.75612 
1 1 1 20  16 11 o 337.5670 18.37378 3401.688       362.3837 3401.688       362.3837 0.000000       0.000000 337.5670 18.37378 ?        ?        0.000000       18.37378 
1 1 1 20  16 12 o 90.10417 32.50660 215.3721       219.8881 215.3721       219.8881 0.000000       0.000000 90.10417 32.50660 ?        ?        0.000000       32.50660 
1 1 1 20  16 13 o 255.0681 21.82578 1961.440       323.3602 1961.440       323.3602 0.000000       0.000000 255.0681 21.82578 ?        ?        0.000000       21.82578 
1 1 1 20  16 14 o 185.5767 30.60262 1076.559       321.4682 1076.559       321.4682 0.000000       0.000000 185.5767 30.60262 ?        ?        0.000000       30.60262 
1 1 1 20  16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  16 16 o 399.4951 13.68015 4727.885       320.0455 4727.885       320.0455 0.000000       0.000000 399.4951 13.68015 ?        ?        0.000000       13.68015 
1 1 1 20  16 17 o 59.22990 26.71758 -89.52940      196.5357 -47.31586      228.1219 -211.0919      387.1157 67.32491 29.67043 80.02522 36.64010 -12.70031      47.14691 
1 1 1 20  16 18 o 163.6677 20.67503 815.4940       194.0338 801.5157       247.3313 837.8657       312.8988 160.1385 27.31403 161.3421 34.13475 -1.203537      43.71770 
1 1 1 20  16 19 o 178.3209 19.41323 963.5457       199.7517 715.6499       261.9203 1308.170       308.8214 149.6617 30.86601 205.6495 26.19927 -55.98785      40.48595 
1 1 1 20  16 20 o 41.99865 20.80099 -431.7372      191.7114 -587.2797      269.5051 -272.4080      272.7661 50.02140 24.75448 61.49731 29.01279 -11.47591      38.13825 
1 1 1 20  16 21 o 188.2291 17.76200 1069.819       193.7597 1142.287       279.2528 1002.542       269.0661 191.7719 25.45738 179.0973 26.40799 12.67468       36.68052 
1 1 1 20  16 22 o 119.1010 27.95495 455.1455       191.8942 602.4991       283.1538 329.9847       260.9613 134.9807 35.35454 103.9325 35.57688 31.04818       50.15634 
1 1 1 20  16 23 f 74.92972 28.87935 126.4900       179.3508 25.25984       279.3727 197.4594       233.9184 78.52593 33.73139 87.99929 33.20534 -9.473358      47.33287 
1 1 1 20  16 24 o 127.7642 25.84346 520.4320       186.9865 656.4005       299.8421 433.9034       239.1956 139.7067 36.27781 114.8806 33.46871 24.82606       49.35822 
1 1 1 20  16 25 o 115.6271 25.23240 428.7477       166.2884 719.2200       277.2410 265.5294       207.8211 147.1080 32.95409 93.03042 31.75104 54.07760       45.76134 
1 1 1 20  16 26 o 223.6008 13.08819 1496.825       170.8836 1832.713       276.2928 1288.741       217.4659 244.6053 19.41912 205.4193 18.24037 39.18602       26.64232 
1 1 1 20  16 27 o 97.62022 25.75918 312.3314       149.5930 132.1754       302.6230 370.5884       172.0886 86.24211 35.97544 105.7830 27.49074 -19.54091      45.27663 
1 1 1 20  16 28 o 60.08769 25.08833 43.17485       147.3745 -194.9962      286.2527 129.0728       171.9083 64.67354 30.26057 72.58041 28.19225 -7.906876      41.35825 
1 1 1 20  16 29 o 161.9495 16.38060 807.0717       153.4455 548.2056       288.0870 909.5995       181.3038 122.4527 36.99945 171.0220 18.36338 -48.56931      41.30585 
1 1 1 20  16 30 o 63.22733 25.17549 85.49751       140.0829 234.9253       277.6875 34.49042       162.2393 90.09219 35.58179 60.97585 25.93527 29.11633       44.03070 
1 1 1 20  16 31 o 75.44630 25.11986 182.2604       130.0900 -124.0199      249.4761 296.6444       152.4587 62.22977 28.82238 93.43909 26.56691 -31.20932      39.19860 
1 1 1 20  16 32 o 98.80003 24.15038 328.9803       138.7392 270.1692       278.1680 348.4547       160.0701 91.56073 35.77718 100.5369 26.70076 -8.976204      44.64233 
1 1 1 20  16 33 o 202.8119 13.98094 1259.975       165.2779 1136.936       287.6036 1320.644       201.9565 181.7723 27.86557 205.6778 16.89119 -23.90546      32.58531 
1 1 1 20  16 34 f 59.75953 24.74999 62.45014       141.7734 -60.03093      261.9805 113.1739       168.5933 65.80276 30.13338 68.28517 27.47253 -2.482407      40.77695 
1 1 1 20  16 35 o 75.87883 26.79597 190.3995       148.6223 93.52084       265.0300 234.8400       179.5026 74.86211 32.50655 82.61074 29.42139 -7.748634      43.84397 
1 1 1 20  16 36 o 69.51329 30.56074 53.99273       240.6614 -101.4676      267.0689 725.5336       555.0725 63.34264 29.50230 116.9006 48.74027 -53.55792      56.97367 
1 1 1 20  16 37 f 64.76280 24.87297 119.8354       132.7121 170.9465       269.0352 103.3987       152.5662 79.50327 33.58807 64.65663 26.09124 14.84664       42.53130 
1 1 1 20  16 38 o 90.59892 27.12526 299.1694       155.3596 796.7389       303.3165 122.2038       180.8896 138.4687 36.74591 68.85819 28.17791 69.61054       46.30612 
1 1 1 20  16 39 o 66.62144 26.78747 119.7199       160.1895 127.6962       319.5724 117.0432       185.1269 78.49159 34.82886 68.44205 28.30811 10.04955       44.88205 
1 1 1 20  16 40 o 105.1596 25.67562 399.0087       156.9523 311.7724       284.9951 436.9846       188.0365 89.31991 35.79342 107.2697 29.13958 -17.94975      46.15500 
1 1 1 20  17 0  o 157.3333 15.65744 741.2703       142.5591 717.1072       157.5387 850.5099       334.9661 154.2679 17.73473 162.5191 36.08405 -8.251205      40.20671 
1 1 1 20  17 1  o 293.7542 12.50753 2553.586       214.9863 2536.389       255.1248 2595.707       399.2850 292.1975 14.93719 292.8840 23.44092 -0.6864624     27.79562 
1 1 1 20  17 2  o 192.0736 14.15014 1097.745       158.2776 1183.493       178.3656 780.0901       343.3030 199.2171 15.38544 155.0127 38.04928 44.20439       41.04217 
1 1 1 20  17 3  o 244.9423 12.84708 1777.701       183.9068 1815.675       208.3396 1643.688       391.3846 247.2200 14.43213 230.4036 29.65099 16.81638       32.97677 
1 1 1 20  17 4  o 56.96722 23.25843 38.96345       122.8924 30.38989       133.2929 87.55989       317.3428 57.92474 23.99496 88.79554 36.92415 -30.87080      44.03580 
1 1 1 20  17 5  o 502.3051 21.65899 7574.138       636.5532 0.000000       0.000000 7574.138       636.5532 ?        ?        502.3051 21.65899 0.000000       21.65899 
1 1 1 20  17 6  o 89.19090 25.26274 246.7069       138.1218 246.6071       150.6581 247.2331       345.8496 89.54041 26.68875 103.6925 40.06649 -14.15210      48.14160 
1 1 1 20  17 7  o 44.60594 21.11700 -168.7468      146.8558 -168.7468      146.8558 0.000000       0.000000 44.60594 21.11700 ?        ?        0.000000       21.11700 
1 1 1 20  17 8  o 220.9333 15.98040 1455.368       205.6621 1455.368       205.6621 0.000000       0.000000 220.9333 15.98040 ?        ?        0.000000       15.98040 
1 1 1 20  17 9  o 74.85175 28.77937 119.4324       177.8067 119.4324       177.8067 0.000000       0.000000 74.85175 28.77937 ?        ?        0.000000       28.77937 
1 1 1 20  17 10 o 226.9490 37.27811 1638.228       478.9604 1638.228       478.9604 0.000000       0.000000 226.9490 37.27811 ?        ?        0.000000       37.27811 
1 1 1 20  17 11 o 271.1375 16.12307 2188.286       255.2244 2188.286       255.2244 0.000000       0.000000 271.1375 16.12307 ?        ?        0.000000       16.12307 
1 1 1 20  17 12 o 520.8685 21.17764 8129.272       645.5792 8129.272       645.5792 0.000000       0.000000 520.8685 21.17764 ?        ?        0.000000       21.17764 
1 1 1 20  17 13 o 174.0233 28.76325 943.0785       283.3129 943.0785       283.3129 0.000000       0.000000 174.0233 28.76325 ?        ?        0.000000       28.76325 
1 1 1 20  17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  17 15 o 289.2575 15.46421 2489.293       261.3856 2489.293       261.3856 0.000000       0.000000 289.2575 15.46421 ?        ?        0.000000       15.46421 
1 1 1 20  17 16 f 137.8263 25.69475 592.9369       200.0565 718.4976       230.5028 209.5903       402.7589 151.6748 26.89747 105.1074 42.40029 46.56738       50.21213 
1 1 1 20  17 17 o 163.2457 21.85098 814.8904       203.9517 673.9437       235.8134 1233.317       406.3036 146.1312 28.53953 195.3572 36.81260 -49.22604      46.57974 
1 1 1 20  17 18 o 187.2699 17.82807 1056.618       193.4451 1083.291       245.0646 1012.522       315.0949 188.1327 22.66709 178.5594 31.22544 9.573257       38.58529 
1 1 1 20  17 19 o 206.7989 16.34270 1282.979       196.5984 1490.438       261.7944 1014.671       297.7223 221.6682 20.36495 179.2003 29.34304 42.46791       35.71758 
1 1 1 20  17 20 o 246.7541 14.12171 1815.161       203.5097 1832.434       280.7596 1796.039       295.4113 246.0822 19.61603 243.0976 20.92369 2.984604       28.68082 
1 1 1 20  17 21 o 163.2127 20.24287 814.9578       189.6148 652.1078       262.3366 993.1036       274.3803 141.4556 32.32973 177.7059 27.19022 -36.25031      42.24357 
1 1 1 20  17 22 f 213.5825 15.35550 1367.828       191.0609 1478.387       277.5147 1268.201       263.4366 219.6995 21.82638 203.0658 22.49712 16.63368       31.34503 
1 1 1 20  17 23 o 79.29436 29.02660 168.1254       176.2052 41.73919       266.4419 266.3672       234.9096 77.85967 33.18052 95.09276 33.67829 -17.23309      47.27763 
1 1 1 20  17 24 o 82.48809 28.87555 198.1096       172.3194 63.33011       274.1092 286.1814       221.5796 79.95889 33.84779 96.23429 32.78645 -16.27540      47.12350 
1 1 1 20  17 25 o 90.46352 27.24441 262.3421       156.3863 202.6746       266.4622 293.6936       193.1505 89.97278 35.05664 95.66286 30.52682 -5.690079      46.48499 
1 1 1 20  17 26 o 136.5999 18.20884 576.8491       142.2457 284.0923       236.0357 743.8094       178.2506 95.26846 33.75715 154.5648 20.14263 -59.29636      39.30993 
1 1 1 20  17 27 o 260.1600 10.62671 2017.570       161.7986 1936.921       251.0329 2074.881       211.6183 251.6667 17.10979 262.3824 13.80059 -10.71576      21.98183 
1 1 1 20  17 28 o 209.0149 12.53936 1314.933       153.0036 1368.600       249.7211 1282.678       193.5978 208.7778 20.66569 204.6474 16.26402 4.130356       26.29808 
1 1 1 20  17 29 o 102.4929 23.89283 347.4328       140.9577 394.2743       276.4037 330.9691       163.8678 105.3950 36.59154 98.77551 27.35221 6.619476       45.68462 
1 1 1 20  17 30 o 53.62424 23.21348 5.735734       134.3155 -250.5257      299.3166 70.34987       150.2979 62.93652 29.89743 62.72992 25.67924 0.2066002      39.41167 
1 1 1 20  17 31 o 168.0195 14.50228 865.4377       141.5073 738.4389       295.5658 903.2052       161.1808 140.5099 35.77752 170.7173 16.29600 -30.20743      39.31400 
1 1 1 20  17 32 o 151.0153 15.73893 708.5590       137.3516 614.7065       272.3390 740.5748       159.0629 127.0126 35.29568 153.1026 18.06204 -26.09000      39.64873 
1 1 1 20  17 33 o 78.07841 25.58447 204.1469       135.1195 -25.53791      266.4636 283.6497       156.7699 68.38760 30.95404 90.09515 27.30903 -21.70755      41.27876 
1 1 1 20  17 34 o 50.28566 22.61048 -33.17315      139.4788 -245.7616      263.6533 49.44516       164.3620 57.20384 27.41623 61.29832 26.08954 -4.094482      37.84592 
1 1 1 20  17 35 o 154.7793 17.01138 758.8691       151.8773 1053.283       292.6266 650.3210       177.6829 170.2248 30.42860 139.4530 22.49028 30.77176       37.83797 
1 1 1 20  17 36 o 181.0484 15.22947 1024.452       160.2098 1373.942       294.0217 876.8670       191.0655 199.2661 25.76136 163.5557 20.35839 35.71037       32.83461 
1 1 1 20  17 37 o 103.8024 24.71537 378.6403       148.2899 655.7562       280.2504 270.8824       174.7592 126.1654 36.06800 86.15229 29.11981 40.01314       46.35584 
1 1 1 20  17 38 o 68.58138 26.73560 140.1126       155.0439 354.3646       287.4874 52.23875       184.1137 93.66779 36.43690 62.67818 27.15540 30.98961       45.44297 
1 1 1 20  17 39 o 67.39957 25.63354 139.8847       140.0538 -242.8706      294.8448 251.4109       159.1555 59.39242 28.60105 83.05300 27.78756 -23.66058      39.87691 
1 1 1 20  18 0  o 252.0396 12.29325 1880.588       181.1648 1841.787       207.6292 2004.355       370.8270 249.0078 14.27740 256.5461 24.96175 -7.538361      28.75645 
1 1 1 20  18 1  o 380.5387 12.73578 4283.845       283.8327 4591.034       360.5198 3783.021       460.3294 393.0875 15.66969 354.3703 22.26182 38.71722       27.22367 
1 1 1 20  18 2  o 199.1589 13.17665 1177.660       153.0406 1164.442       169.2713 1236.839       358.1649 197.7345 14.70175 198.5409 31.83525 -0.8063812     35.06601 
1 1 1 20  18 3  o 317.1994 12.56161 2976.894       233.2216 2965.982       274.9184 3004.906       440.4832 316.0535 14.87348 315.0233 24.02282 1.030243       28.25449 
1 1 1 20  18 4  o 38.18590 18.54093 -220.1913      130.4500 -218.0049      140.2988 -234.1439      354.4221 40.49743 19.55846 75.17576 34.65320 -34.67833      39.79168 
1 1 1 20  18 5  o 30.65241 15.40831 -371.7477      123.6233 -320.3151      132.3678 -722.8848      345.8610 34.31455 17.04503 57.50749 28.38219 -23.19294      33.10713 
1 1 1 20  18 6  o 56.44425 23.34867 29.43912       125.9642 129.7185       134.5424 -682.5796      358.5080 70.77477 25.44085 60.22195 29.55898 10.55281       38.99962 
1 1 1 20  18 7  o 338.4319 13.66921 3392.758       270.7514 3392.758       270.7514 0.000000       0.000000 338.4319 13.66921 ?        ?        0.000000       13.66921 
1 1 1 20  18 8  o 286.6021 30.66875 2536.199       507.4921 2536.199       507.4921 0.000000       0.000000 286.6021 30.66875 ?        ?        0.000000       30.66875 
1 1 1 20  18 9  o 329.3713 14.39409 3216.991       277.3771 3216.991       277.3771 0.000000       0.000000 329.3713 14.39409 ?        ?        0.000000       14.39409 
1 1 1 20  18 10 o 340.1241 13.88568 3427.501       276.4019 3427.501       276.4019 0.000000       0.000000 340.1241 13.88568 ?        ?        0.000000       13.88568 
1 1 1 20  18 11 o 346.6564 13.48369 3558.548       273.6085 3558.548       273.6085 0.000000       0.000000 346.6564 13.48369 ?        ?        0.000000       13.48369 
1 1 1 20  18 12 o 386.2517 13.82963 4419.495       312.7737 4419.495       312.7737 0.000000       0.000000 386.2517 13.82963 ?        ?        0.000000       13.82963 
1 1 1 20  18 13 f 134.8772 30.45328 577.6065       235.1709 577.6065       235.1709 0.000000       0.000000 134.8772 30.45328 ?        ?        0.000000       30.45328 
1 1 1 20  18 14 o 231.1992 16.88914 1598.183       227.4250 1598.183       227.4250 0.000000       0.000000 231.1992 16.88914 ?        ?        0.000000       16.88914 
1 1 1 20  18 15 o 78.31580 30.60676 124.4251       203.6048 124.4251       203.6048 0.000000       0.000000 78.31580 30.60676 ?        ?        0.000000       30.60676 
1 1 1 20  18 16 o 145.0245 24.20101 652.2360       198.5889 537.5079       223.9593 1074.298       429.5583 129.7492 30.02679 179.8056 41.56663 -50.05641      51.27761 
1 1 1 20  18 17 o 359.7576 11.71644 3830.599       246.8746 3710.860       293.6135 4119.482       456.0580 353.3201 14.19850 369.3104 21.14448 -15.99023      25.46932 
1 1 1 20  18 18 o 171.0786 18.90332 887.8820       186.5043 913.9200       239.4410 847.7143       297.3940 171.7405 24.46336 162.1967 32.39816 9.543777       40.59676 
1 1 1 20  18 19 o 228.9081 14.57008 1564.710       194.5869 1407.266       251.4633 1799.693       307.2063 215.2542 20.15356 242.9663 21.79041 -27.71211      29.68144 
1 1 1 20  18 20 o 222.3746 14.99231 1479.685       194.3832 1411.818       256.0821 1571.950       298.5852 215.3186 20.52713 226.3505 22.80289 -11.03192      30.68118 
1 1 1 20  18 21 o 46.62952 22.17893 -196.6526      165.7605 -290.5810      223.3529 -81.48849      247.3158 52.63445 25.22831 67.26638 30.18801 -14.63193      39.34188 
1 1 1 20  18 22 o 282.5166 11.95979 2371.415       197.7127 2268.258       277.7199 2477.425       281.5351 274.3229 17.35103 286.9759 16.80121 -12.65292      24.15241 
1 1 1 20  18 23 o 143.8031 22.15329 645.1001       180.8440 572.1534       262.5914 710.9128       249.4208 130.8067 33.94104 147.8650 29.79264 -17.05827      45.16188 
1 1 1 20  18 24 o 239.4727 12.76644 1712.919       178.6504 1811.270       259.1035 1623.790       246.6556 243.9964 18.23866 230.8991 18.36576 13.09726       25.88339 
1 1 1 20  18 25 o 105.3084 25.68261 361.9993       157.1740 254.9211       239.8138 442.6292       208.0998 92.49135 33.86201 114.9114 30.40986 -22.42010      45.51258 
1 1 1 20  18 26 o 50.62431 22.78337 -51.33311      141.9817 -182.3783      239.9709 19.24946       176.1152 59.11427 27.67465 62.41740 26.79638 -3.303131      38.52184 
1 1 1 20  18 27 o 102.8670 23.34801 345.9504       137.6209 322.2224       220.3864 361.1170       176.1970 97.76013 32.69865 103.3442 28.26273 -5.584030      43.22018 
1 1 1 20  18 28 o 38.99995 18.77430 -173.3717      126.7850 -142.7122      216.4906 -189.3760      156.4141 57.01036 26.55607 44.24246 21.18085 12.76790       33.96841 
1 1 1 20  18 29 f 223.7074 11.08913 1501.022       145.0349 1657.108       248.0010 1419.892       178.7980 230.6228 18.49064 216.0320 14.19075 14.59082       23.30840 
1 1 1 20  18 30 o 43.39344 20.11305 -84.04153      121.8242 101.8002       238.5146 -149.6356      141.7019 75.29130 31.70716 43.26630 20.55838 32.02500       37.78877 
1 1 1 20  18 31 o 101.3263 22.57220 341.7302       130.6987 305.6555       281.5808 351.6366       147.5569 94.43399 36.24018 101.6384 24.94351 -7.204376      43.99466 
1 1 1 20  18 32 o 99.42642 22.52498 330.9697       128.2920 412.4353       246.7731 300.7968       150.1826 104.4995 34.59124 93.06372 26.33681 11.43578       43.47622 
1 1 1 20  18 33 o 84.03887 24.88887 242.5830       131.3569 29.96930       243.7846 329.5648       155.9283 69.06526 30.54433 96.82177 26.63107 -27.75651      40.52370 
1 1 1 20  18 34 o 141.4708 17.33773 635.9759       140.8464 741.2456       254.1971 589.3395       169.1927 141.4563 31.45434 132.7560 22.53582 8.700241       38.69417 
1 1 1 20  18 35 o 94.16206 25.41871 313.0834       143.6179 304.8384       271.5543 316.2851       169.2209 90.90990 35.39903 93.12024 28.40272 -2.210342      45.38509 
1 1 1 20  18 36 o 52.26251 23.28842 -13.03741      144.4185 102.0932       271.0551 -58.67619      170.6590 74.72438 32.65345 53.00885 24.29187 21.71553       40.69819 
1 1 1 20  18 37 o 99.65456 24.98413 352.7248       145.7292 223.3509       267.7868 407.1603       173.7029 82.69414 34.10936 105.1788 27.75926 -22.48468      43.97755 
1 1 1 20  18 38 o 79.02107 27.47826 222.1891       155.8996 980.1279       279.1023 -121.5370      187.9545 161.5164 30.58383 51.47696 24.22313 110.0394       39.01449 
1 1 1 20  18 39 o 93.24409 27.90311 325.5355       164.4291 -221.9238      284.0227 601.5206       201.6600 58.76984 28.24218 127.9702 27.67618 -69.20041      39.54227 
1 1 1 20  19 0  o 331.0877 12.43258 3242.535       240.9809 3431.203       294.8787 2863.183       418.1336 339.9828 14.82453 307.6962 23.34509 32.28662       27.65429 
1 1 1 20  19 1  o 290.2581 12.36389 2492.807       209.9878 2642.683       246.1728 2092.423       402.3569 298.4756 14.10297 261.5720 26.59780 36.90356       30.10543 
1 1 1 20  19 2  o 71.53275 24.18609 144.7443       120.5578 165.9038       127.6946 -28.83596      365.7375 75.54867 24.87772 86.91901 37.95732 -11.37034      45.38347 
1 1 1 20  19 3  o 121.0246 18.98906 446.6748       130.3491 449.5380       138.9604 425.6976       376.1321 121.1135 20.27991 120.6362 42.62585 0.4772873      47.20422 
1 1 1 20  19 4  o 207.8916 13.43229 1283.141       162.8946 1294.699       177.5736 1221.776       409.1655 208.5968 14.60744 195.2759 37.08299 13.32088       39.85631 
1 1 1 20  19 5  o 40.05167 19.16694 -173.8983      127.8086 -90.21503      135.4302 -855.2309      386.4343 47.29426 21.66066 59.54972 29.50050 -12.25546      36.59869 
1 1 1 20  19 6  f 45.07948 22.88121 -1140.503      314.8102 -1999.663      501.7064 -582.5381      404.3112 ?        ?        68.87614 33.24883 0.000000       33.24883 
1 1 1 20  19 7  o 188.8362 17.05368 1067.806       186.8327 1067.806       186.8327 0.000000       0.000000 188.8362 17.05368 ?        ?        0.000000       17.05368 
1 1 1 20  19 8  o 311.3530 26.54555 2953.567       480.1063 2953.567       480.1063 0.000000       0.000000 311.3530 26.54555 ?        ?        0.000000       26.54555 
1 1 1 20  19 9  o 378.4729 13.70167 4242.391       303.6278 4242.391       303.6278 0.000000       0.000000 378.4729 13.70167 ?        ?        0.000000       13.70167 
1 1 1 20  19 10 o 348.5596 13.06031 3596.134       266.5092 3596.134       266.5092 0.000000       0.000000 348.5596 13.06031 ?        ?        0.000000       13.06031 
1 1 1 20  19 11 o 166.7739 18.76950 839.3208       180.3986 839.3208       180.3986 0.000000       0.000000 166.7739 18.76950 ?        ?        0.000000       18.76950 
1 1 1 20  19 12 o 188.9756 19.15517 1076.628       209.3671 1076.628       209.3671 0.000000       0.000000 188.9756 19.15517 ?        ?        0.000000       19.15517 
1 1 1 20  19 13 o 208.9409 19.28974 1315.493       233.7072 1315.493       233.7072 0.000000       0.000000 208.9409 19.28974 ?        ?        0.000000       19.28974 
1 1 1 20  19 14 o 219.5609 19.63326 1454.055       250.1470 1454.055       250.1470 0.000000       0.000000 219.5609 19.63326 ?        ?        0.000000       19.63326 
1 1 1 20  19 15 o 54.45443 25.21231 -146.4169      190.6455 -146.4169      190.6455 0.000000       0.000000 54.45443 25.21231 ?        ?        0.000000       25.21231 
1 1 1 20  19 16 o 159.1782 20.34693 773.3010       185.6101 837.3190       209.8151 542.8721       398.0650 165.1344 22.22852 130.0328 43.94865 35.10155       49.25029 
1 1 1 20  19 17 o 192.4768 17.31810 1116.089       193.4039 1034.628       222.6544 1366.464       390.3488 184.1097 20.99554 206.4025 33.38617 -22.29274      39.43918 
1 1 1 20  19 18 o 158.5164 19.91383 767.6893       181.0558 798.5786       227.0889 713.7945       299.9617 159.9516 25.02778 147.1915 35.21999 12.76016       43.20692 
1 1 1 20  19 19 o 180.4821 16.98666 983.0554       177.6870 870.7437       223.3700 1176.598       293.2245 167.6470 23.35131 193.9696 26.46560 -26.32254      35.29464 
1 1 1 20  19 20 o 127.0885 24.41393 509.4138       175.3561 643.0471       226.1049 307.7227       277.7769 141.7625 28.18830 102.2050 36.57731 39.55750       46.17878 
1 1 1 20  19 21 o 112.1546 26.71065 404.3405       173.1655 535.9130       236.5374 252.3832       254.2015 127.7470 31.71812 94.86384 34.84125 32.88314       47.11637 
1 1 1 20  19 22 o 147.0847 20.22544 667.9525       169.8535 538.8361       235.4159 808.1474       245.3077 127.7125 31.60391 159.0733 27.27569 -31.36084      41.74650 
1 1 1 20  19 23 o 47.54515 22.27514 -141.2887      155.9551 -129.3664      224.4575 -152.4161      216.8471 60.34369 27.72911 57.83434 26.81605 2.509357       38.57466 
1 1 1 20  19 24 o 199.2192 14.09718 1195.011       163.6440 996.7245       243.7633 1357.689       220.7931 177.4671 24.03818 210.7116 18.04020 -33.24455      30.05466 
1 1 1 20  19 25 o 54.51096 23.66224 -3.225035      140.3406 185.1814       222.7406 -127.2563      180.7245 83.52867 32.18626 52.61291 24.42458 30.91576       40.40440 
1 1 1 20  19 26 o 151.9029 16.68315 710.6418       146.1828 615.7914       226.9152 777.9335       191.1282 134.7687 29.52737 156.7425 21.34570 -21.97379      36.43493 
1 1 1 20  19 27 o 116.4357 20.32624 432.6589       133.7543 195.0618       224.0499 564.2251       166.7233 83.43171 32.24566 132.3474 22.26972 -48.91570      39.18830 
1 1 1 20  19 28 o 91.59323 23.85758 278.7265       129.4113 235.0828       236.8322 297.3049       154.5196 87.69463 33.33795 93.73768 26.77678 -6.043053      42.75997 
1 1 1 20  19 29 o 87.93515 22.52038 255.8467       116.6387 226.5903       233.5481 265.5687       134.6309 86.17007 33.02098 88.92567 24.85531 -2.755600      41.33003 
1 1 1 20  19 30 o 328.1653 9.361371 3213.571       179.9859 3194.489       288.2625 3225.763       230.4206 322.5906 15.27996 326.9482 12.03744 -4.357605      19.45191 
1 1 1 20  19 31 o 208.7106 11.25075 1314.448       137.2045 1037.381       238.0957 1452.198       167.8818 177.1939 23.48947 218.2763 13.17569 -41.08243      26.93239 
1 1 1 20  19 32 o 76.33556 24.42039 195.0843       123.5458 66.53782       227.8316 248.6291       147.0424 70.13286 30.29636 84.79797 26.58186 -14.66512      40.30464 
1 1 1 20  19 33 o 51.11370 22.34442 2.332989       127.0275 -117.5253      267.2473 37.31586       144.3800 63.02508 29.40689 57.27648 24.41745 5.748600       38.22272 
1 1 1 20  19 34 f 54.73574 23.35135 32.31530       132.2182 -64.05318      265.7147 64.02836       152.4288 65.09270 30.00511 60.75290 25.45098 4.339794       39.34539 
1 1 1 20  19 35 o 233.1123 11.73308 1654.461       159.8929 1486.391       297.5975 1722.667       189.5804 208.1964 24.86372 236.2802 13.74021 -28.08376      28.40771 
1 1 1 20  19 36 o 61.19836 24.31145 95.23730       130.3411 -247.5821      287.8900 183.6259       146.1814 58.88448 28.33231 73.91878 26.52490 -15.03430      38.81095 
1 1 1 20  19 37 o 53.00367 22.95794 21.41401       131.5259 -316.8958      286.3912 111.8399       148.0638 56.01047 27.25854 64.66582 25.83801 -8.655357      37.55836 
1 1 1 20  19 38 o 124.6341 20.89708 521.5300       147.3454 446.5430       273.6474 552.1478       174.8579 102.1822 36.33331 125.3183 24.67002 -23.13610      43.91719 
1 1 1 20  20 0  o 118.1506 20.65880 429.0008       137.9406 383.1436       147.9476 733.9962       381.5496 110.8902 23.48124 149.6951 41.84377 -38.80484      47.98197 
1 1 1 20  20 1  o 362.7820 13.09662 3895.370       278.1906 4143.457       341.6796 3407.516       479.1392 373.4439 15.63526 335.3570 24.53119 38.08694       29.09021 
1 1 1 20  20 2  f 110.5672 22.12374 378.9666       138.4493 385.9247       148.0928 330.6998       390.0439 111.3227 23.42585 113.5618 42.87187 -2.239166      48.85455 
1 1 1 20  20 3  o 291.4691 12.63358 2514.304       215.4452 2554.224       244.8491 2377.397       453.4346 293.4078 14.27188 278.3799 28.16006 15.02795       31.57017 
1 1 1 20  20 4  o 190.2240 13.90471 1076.152       154.0521 1025.303       164.4666 1439.937       439.9043 185.3827 15.26224 212.6071 36.60030 -27.22444      39.65499 
1 1 1 20  20 5  o 414.1107 11.50369 5063.487       279.1150 4809.044       314.1692 6016.620       608.0585 403.0935 13.30770 446.7999 23.28536 -43.70645      26.81983 
1 1 1 20  20 6  o 229.0301 12.60355 1554.205       168.6392 1452.763       180.4649 2253.005       473.6544 221.1388 13.98646 269.8989 30.45452 -48.76007      33.51267 
1 1 1 20  20 7  o 125.3625 18.82232 478.3629       134.1158 502.6505       140.9585 246.2669       435.7461 128.4520 19.30793 110.7315 44.29791 17.72054       48.32288 
1 1 1 20  20 8  o 249.8866 14.33362 1854.941       209.1817 1854.941       209.1817 0.000000       0.000000 249.8866 14.33362 ?        ?        0.000000       14.33362 
1 1 1 20  20 9  o 320.1515 13.31836 3036.744       249.5212 3036.744       249.5212 0.000000       0.000000 320.1515 13.31836 ?        ?        0.000000       13.31836 
1 1 1 20  20 10 f 115.7132 23.68668 417.4086       155.3273 417.4086       155.3273 0.000000       0.000000 115.7132 23.68668 ?        ?        0.000000       23.68668 
1 1 1 20  20 11 o 197.0431 17.69149 1165.995       202.2709 1165.995       202.2709 0.000000       0.000000 197.0431 17.69149 ?        ?        0.000000       17.69149 
1 1 1 20  20 12 o 261.3578 13.85134 2029.402       211.5554 2029.402       211.5554 0.000000       0.000000 261.3578 13.85134 ?        ?        0.000000       13.85134 
1 1 1 20  20 13 o 331.8502 16.22768 3284.709       314.8691 3284.709       314.8691 0.000000       0.000000 331.8502 16.22768 ?        ?        0.000000       16.22768 
1 1 1 20  20 14 o 340.5896 13.03389 3441.011       259.8685 3441.011       259.8685 0.000000       0.000000 340.5896 13.03389 ?        ?        0.000000       13.03389 
1 1 1 20  20 15 o 195.0425 17.37572 1145.452       196.6783 1145.452       196.6783 0.000000       0.000000 195.0425 17.37572 ?        ?        0.000000       17.37572 
1 1 1 20  20 16 o 283.2302 12.47726 2381.310       206.7485 2287.170       234.5716 2709.027       437.6612 276.9758 14.49093 296.6617 25.39925 -19.68588      29.24225 
1 1 1 20  20 17 o 69.22793 27.74578 82.47608       171.2725 -0.4732690     192.5458 396.8672       374.8544 64.72542 27.90538 115.7005 42.33947 -50.97505      50.70839 
1 1 1 20  20 18 o 224.1263 13.33733 1497.208       174.5194 1679.570       223.8934 1214.855       278.5925 236.5327 16.23838 197.9363 24.52312 38.59631       29.41205 
1 1 1 20  20 19 o 66.44024 26.45845 79.89731       154.7450 113.5960       191.6572 16.78763       262.2810 74.97172 29.57590 75.74872 32.61263 -0.7770004     44.02632 
1 1 1 20  20 20 o 206.7282 14.46568 1280.431       174.2769 1448.155       228.4561 1046.964       269.5364 218.6910 17.97076 182.5255 25.90615 36.16551       31.52898 
1 1 1 20  20 21 o 155.7428 18.85192 743.1893       168.6918 669.9110       224.2689 838.6707       256.0004 144.4007 27.48566 161.7331 28.00292 -17.33237      39.23806 
1 1 1 20  20 22 o 43.56935 20.86436 -197.4257      152.0041 -132.5247      203.8264 -278.7468      228.1581 56.80841 26.21972 53.51633 25.61009 3.292072       36.65174 
1 1 1 20  20 23 o 64.62457 25.51281 85.49327       142.7099 109.1093       208.2650 64.58917       195.9427 75.30526 30.44984 69.68922 28.99954 5.616043       42.04957 
1 1 1 20  20 24 o 80.76470 25.79815 207.0033       137.9196 132.5417       212.7805 260.9536       181.1184 77.48904 30.97001 89.95023 29.62861 -12.46120      42.86019 
1 1 1 20  20 25 o 247.6084 10.90410 1831.321       157.9572 1733.514       241.0988 1904.872       209.0780 237.5492 17.42706 250.9270 14.26603 -13.37788      22.52159 
1 1 1 20  20 26 o 48.06190 21.59270 -42.27269      126.9106 -306.9992      211.5173 106.6367       158.6384 48.73006 23.64865 68.15792 26.90168 -19.42786      35.81841 
1 1 1 20  20 27 o 163.4138 14.09681 813.9769       133.7820 707.6832       229.6596 868.5718       164.5911 144.5415 28.10438 167.4407 16.99603 -22.89917      32.84389 
1 1 1 20  20 28 o 131.5363 16.10421 536.9116       121.6442 511.0186       234.7223 546.4196       142.2355 119.1398 32.63601 131.3438 19.01771 -12.20399      37.77278 
1 1 1 20  20 29 f 215.9368 10.70801 1400.131       135.1852 1556.916       246.3919 1332.608       161.6959 222.2495 19.08789 209.3638 13.23658 12.88573       23.22831 
1 1 1 20  20 30 o 77.28777 23.85407 199.2709       118.9186 143.8301       223.2314 221.2381       140.5167 76.46591 31.29816 80.96348 26.05781 -4.497566      40.72572 
1 1 1 20  20 31 o 100.4916 20.91159 333.4015       119.2282 323.4635       216.2543 337.7416       142.9106 94.39330 32.38408 99.22134 24.66494 -4.828041      40.70734 
1 1 1 20  20 32 o 64.44160 24.11889 119.4854       122.8716 385.1409       206.4866 -26.15081      152.8858 101.7310 31.43883 53.10350 23.79102 48.62754       39.42604 
1 1 1 20  20 33 o 118.7013 19.12534 458.2302       128.6187 281.2419       207.8096 568.1268       163.7516 88.15390 31.62661 130.3345 22.21889 -42.18065      38.65129 
1 1 1 20  20 34 o 47.95924 21.22686 -10.34216      117.9635 -270.3730      223.5711 89.97854       138.8668 50.30561 24.38975 61.72159 24.89746 -11.41598      34.85316 
1 1 1 20  20 35 o 172.5457 13.52549 920.4216       135.7766 941.2549       291.4046 914.6446       153.4515 156.7552 32.75459 170.6464 15.50187 -13.89117      36.23770 
1 1 1 20  20 36 o 72.55743 25.86356 177.5167       138.7433 -105.4878      286.0025 264.6143       158.6632 64.10916 30.07688 85.08959 27.71400 -20.98043      40.89846 
1 1 1 20  20 37 o 181.6273 14.46484 1030.882       152.8076 948.8024       289.3861 1062.617       179.9389 156.2614 32.63203 182.2997 17.02714 -26.03831      36.80724 
1 1 1 20  20 38 o 141.8605 19.30757 663.8639       156.4697 361.4701       275.6225 807.6619       190.0661 93.22121 35.83422 154.6570 21.53842 -61.43575      41.80903 
1 1 1 20  21 0  o 154.6888 15.46597 716.5435       138.4301 642.3760       147.7059 1252.033       396.8867 145.9155 17.61631 198.2467 35.43654 -52.33121      39.57376 
1 1 1 20  21 1  o 218.2847 13.46558 1414.592       171.5457 1299.500       187.4379 2008.261       425.7042 208.7759 15.41704 255.1811 28.95653 -46.40520      32.80497 
1 1 1 20  21 2  o 261.0653 12.96029 2019.503       197.8128 2110.493       224.5067 1703.675       418.2702 266.5726 14.41390 233.8416 31.28299 32.73108       34.44395 
1 1 1 20  21 3  o 70.76205 24.19933 139.9396       120.7324 121.6330       126.3911 330.7603       408.0612 68.58721 24.65769 114.6370 43.71733 -46.04980      50.19170 
1 1 1 20  21 4  o 284.5539 21.52530 2440.202       356.5589 2196.906       521.9761 2653.045       488.2160 264.4135 34.48079 293.7863 28.70109 -29.37274      44.86287 
1 1 1 20  21 5  o 204.7236 29.27736 1302.366       341.5229 831.5562       517.3502 1666.004       454.6706 158.0757 49.90287 229.5405 34.86973 -71.46478      60.87852 
1 1 1 20  21 6  o 195.0475 13.22538 1130.222       150.3914 1130.762       159.7663 1126.014       445.5886 194.9287 14.06990 184.8792 42.04834 10.04955       44.33988 
1 1 1 20  21 7  o 230.9541 12.26574 1580.269       165.5427 1588.454       178.6612 1530.594       440.1397 231.3626 13.22204 219.4118 35.40949 11.95084       37.79755 
1 1 1 20  21 8  o 261.7971 13.13029 2032.577       200.9561 2032.577       200.9561 0.000000       0.000000 261.7971 13.13029 ?        ?        0.000000       13.13029 
1 1 1 20  21 9  o 195.3717 13.93988 1136.435       158.6750 1136.435       158.6750 0.000000       0.000000 195.3717 13.93988 ?        ?        0.000000       13.93988 
1 1 1 20  21 10 o 312.8975 14.81055 2911.739       271.0126 2911.739       271.0126 0.000000       0.000000 312.8975 14.81055 ?        ?        0.000000       14.81055 
1 1 1 20  21 11 o 274.9958 26.79016 2326.402       426.5965 2326.402       426.5965 0.000000       0.000000 274.9958 26.79016 ?        ?        0.000000       26.79016 
1 1 1 20  21 12 o 198.2742 16.83256 1180.086       193.8859 1180.086       193.8859 0.000000       0.000000 198.2742 16.83256 ?        ?        0.000000       16.83256 
1 1 1 20  21 13 o 251.0893 15.71196 1884.479       230.2114 1884.479       230.2114 0.000000       0.000000 251.0893 15.71196 ?        ?        0.000000       15.71196 
1 1 1 20  21 14 o 150.4549 19.76391 691.5764       170.1803 691.5764       170.1803 0.000000       0.000000 150.4549 19.76391 ?        ?        0.000000       19.76391 
1 1 1 20  21 15 o 183.0681 16.88166 1009.990       179.2100 1009.990       179.2100 0.000000       0.000000 183.0681 16.88166 ?        ?        0.000000       16.88166 
1 1 1 20  21 16 o 281.2324 11.67203 2345.862       192.0955 2139.623       214.9383 3164.375       428.1948 267.9781 13.72184 321.8088 22.83618 -53.83069      26.64170 
1 1 1 20  21 17 o 147.3954 18.20284 661.8361       154.0126 570.0577       172.8906 1014.594       338.9531 135.2678 22.58953 176.2160 34.02988 -40.94823      40.84507 
1 1 1 20  21 18 o 44.05780 20.66207 -129.5047      134.7601 -123.9652      158.9690 -143.6517      254.0461 49.48248 22.94928 64.57779 29.61014 -15.09531      37.46238 
1 1 1 20  21 19 o 188.9260 14.46724 1070.755       159.0785 1058.887       194.5560 1094.693       276.3136 186.7361 17.98732 186.5817 25.95280 0.1543884      31.57675 
1 1 1 20  21 20 o 251.3520 15.30147 1898.228       224.4935 1497.365       363.5706 2145.243       285.3990 216.1801 29.44053 265.8613 18.41788 -49.68121      34.72698 
1 1 1 20  21 21 f 177.7150 14.80007 952.1756       152.8558 964.1512       203.4254 936.6453       231.6572 176.9060 19.95484 172.7864 23.46643 4.119553       30.80372 
1 1 1 20  21 22 o 54.73317 23.49480 6.315952       135.3619 116.5591       183.9026 -124.0273      199.9660 73.24208 28.94711 56.35656 25.99654 16.88552       38.90701 
1 1 1 20  21 23 o 287.3074 9.796714 2452.594       164.8322 2379.265       233.1703 2525.844       233.0456 280.9654 14.19644 289.7493 13.75338 -8.783966      19.76599 
1 1 1 20  21 24 o 83.80270 24.01752 229.0964       124.1170 204.4914       198.6093 244.8630       158.9857 83.22050 30.75642 86.60991 27.70191 -3.389412      41.39267 
1 1 1 20  21 25 o 94.16583 23.11975 291.3461       126.7267 338.0773       204.7070 262.3085       161.3652 99.22418 31.39913 88.81316 27.84724 10.41103       41.96873 
1 1 1 20  21 26 o 93.67796 22.36921 288.3040       121.1965 313.1749       209.8230 275.8516       148.4687 95.56385 31.90427 90.57628 26.36246 4.987572       41.38674 
1 1 1 20  21 27 o 60.43096 23.20242 90.10957       115.4605 175.5020       216.6734 56.24561       136.4472 80.17375 31.50219 59.14643 24.36727 21.02732       39.82652 
1 1 1 20  21 28 o 73.33105 23.39828 174.5414       113.4773 261.1498       215.1396 141.1582       133.5686 88.51254 32.12313 69.23578 25.28343 19.27676       40.87967 
1 1 1 20  21 29 o 168.0694 12.89626 860.9363       126.1457 1078.836       230.2424 767.4731       150.7918 182.0853 22.00644 156.6615 16.66771 25.42380       27.60608 
1 1 1 20  21 30 o 210.0381 12.08507 1338.136       148.2383 1323.902       318.2070 1342.081       167.5272 194.9732 28.68472 209.3522 13.72010 -14.37903      31.79708 
1 1 1 20  21 31 o 76.20259 23.46550 195.4658       115.1548 73.06886       208.8354 248.9411       138.0370 68.44746 29.27802 84.79090 25.60943 -16.34344      38.89788 
1 1 1 20  21 32 o 59.69518 23.27764 90.88932       117.5561 238.7281       203.9024 17.28375       143.8744 83.39346 31.09858 55.15304 23.94950 28.24042       39.25175 
1 1 1 20  21 33 o 38.43659 18.33519 -126.0770      114.9806 -255.8775      212.3995 -72.27100      136.7509 49.32852 23.88186 46.45470 21.45363 2.873817       32.10298 
1 1 1 20  21 34 o 43.12609 19.74293 -51.58424      112.3459 71.47462       206.6618 -103.2070      133.8518 66.97044 28.89199 43.69679 20.52430 23.27364       35.44000 
1 1 1 20  21 35 o 78.71999 27.34004 218.5908       154.3118 144.7330       232.8826 276.4010       206.0350 74.53693 31.35660 86.19727 31.41340 -11.66034      44.38511 
1 1 1 20  21 36 o 182.1428 16.94281 1059.906       178.9119 802.0120       286.9525 1223.918       228.8369 140.2651 34.99815 192.1591 20.62809 -51.89404      40.62498 
1 1 1 20  21 37 o 85.56582 27.70989 270.9511       158.7428 328.8061       323.0641 252.5365       182.2634 90.82665 37.46441 82.70345 29.62516 8.123207       47.76225 
1 1 1 20  22 0  o 190.4082 13.23601 1077.596       146.8862 1152.184       160.5351 694.0640       364.0295 196.7643 14.00298 145.4576 40.94811 51.30670       43.27622 
1 1 1 20  22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  22 2  o 356.1659 17.14056 3783.754       356.9860 3179.944       520.6113 4319.621       490.4468 321.9579 27.84517 378.4921 22.19189 -56.53415      35.60664 
1 1 1 20  22 3  o 38.99590 18.19700 -95.10337      102.3761 -117.1438      106.3762 181.5350       376.8693 38.40044 18.11690 101.0411 40.92321 -62.64066      44.75412 
1 1 1 20  22 4  o 187.7799 12.66531 1047.187       138.6652 1079.361       148.8356 835.6144       381.6688 190.5128 13.40645 159.1646 40.72484 31.34813       42.87476 
1 1 1 20  22 5  o 304.5881 11.43028 2743.000       203.8211 2707.273       224.7090 2908.808       484.0957 302.3039 12.70268 308.0083 27.07421 -5.704407      29.90603 
1 1 1 20  22 6  o 510.3644 15.62306 7745.599       467.0735 7344.187       611.6821 8306.961       723.3563 494.0959 21.15781 523.9405 23.60131 -29.84464      31.69661 
1 1 1 20  22 7  o 239.2764 11.93735 1696.138       166.9878 1670.734       179.3760 1861.232       457.2764 237.2621 12.93994 242.9954 32.93407 -5.733246      35.38496 
1 1 1 20  22 8  f 65.04701 23.14336 111.8230       111.0443 111.8230       111.0443 0.000000       0.000000 65.04701 23.14336 ?        ?        0.000000       23.14336 
1 1 1 20  22 9  o 262.4398 12.48577 2042.359       191.6232 2042.359       191.6232 0.000000       0.000000 262.4398 12.48577 ?        ?        0.000000       12.48577 
1 1 1 20  22 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  22 11 o 465.6843 18.89173 6513.233       514.8862 6513.233       514.8862 0.000000       0.000000 465.6843 18.89173 ?        ?        0.000000       18.89173 
1 1 1 20  22 12 o 196.9957 15.18264 1161.881       174.0577 1161.881       174.0577 0.000000       0.000000 196.9957 15.18264 ?        ?        0.000000       15.18264 
1 1 1 20  22 13 o 271.5999 12.58838 2191.181       199.9711 2191.181       199.9711 0.000000       0.000000 271.5999 12.58838 ?        ?        0.000000       12.58838 
1 1 1 20  22 14 o 110.1131 21.58772 378.9311       134.4255 378.9311       134.4255 0.000000       0.000000 110.1131 21.58772 ?        ?        0.000000       21.58772 
1 1 1 20  22 15 o 195.4784 14.15792 1142.750       161.2113 1142.750       161.2113 0.000000       0.000000 195.4784 14.15792 ?        ?        0.000000       14.15792 
1 1 1 20  22 16 f 80.41045 24.44257 200.3985       125.4651 190.0489       134.6694 268.4414       345.3002 79.17462 25.51241 102.9166 39.96133 -23.74201      47.41088 
1 1 1 20  22 17 o 145.8872 16.38396 644.9224       137.7603 708.2449       155.6620 416.1408       295.8788 152.5598 17.72744 113.6597 37.88471 38.90015       41.82718 
1 1 1 20  22 18 o 308.6286 10.30960 2821.688       186.3453 2725.775       227.5271 3017.097       324.7622 302.4832 12.85501 316.1417 17.58523 -13.65848      21.78283 
1 1 1 20  22 19 o 93.92419 23.74115 282.2852       130.8205 342.2817       151.7158 108.3635       258.3123 103.0872 25.28868 81.48023 33.54354 21.60692       42.00817 
1 1 1 20  22 20 o 37.29821 18.04788 -187.4562      120.8935 -97.35927      142.6636 -416.9552      227.6923 47.65796 21.97469 48.12339 23.60758 -0.4654312     32.25220 
1 1 1 20  22 21 o 80.28571 24.22343 205.0865       123.5460 255.7564       154.9366 116.6135       204.7314 88.97189 27.18538 75.49283 30.30814 13.47906       40.71398 
1 1 1 20  22 22 o 66.37610 24.28373 119.6399       123.2997 136.5239       172.0741 101.8229       176.7648 73.68508 28.31658 70.39868 28.19664 3.286400       39.96097 
1 1 1 20  22 23 o 98.97807 20.87800 314.9444       117.3741 175.9645       170.5253 440.0691       161.8022 77.82511 28.54417 115.7962 24.58609 -37.97112      37.67287 
1 1 1 20  22 24 o 53.79444 22.10503 41.85355       111.9085 179.9298       175.5877 -52.59947      145.2254 78.33163 28.92445 50.79448 22.93458 27.53716       36.91367 
1 1 1 20  22 25 o 171.9500 12.09671 891.9583       121.2104 906.2346       194.6343 882.9138       154.9186 169.3789 19.97726 169.4394 15.77080 -0.6053162E-01 25.45210 
1 1 1 20  22 26 o 130.3687 14.62832 522.5327       109.9184 700.9030       193.0991 437.0313       133.6920 146.5991 23.23320 116.6496 20.27780 29.94948       30.83782 
1 1 1 20  22 27 o 173.9896 11.55065 913.4894       117.1964 756.0856       195.6406 1001.587       146.3638 152.3152 22.58413 181.1070 13.88587 -28.79179      26.51152 
1 1 1 20  22 28 o 110.1978 17.34304 385.1585       108.3852 438.6718       189.8996 359.3040       131.9962 111.1922 28.86929 103.9431 22.31971 7.249100       36.49117 
1 1 1 20  22 29 o 167.0751 11.92116 847.3299       116.0427 595.2814       204.2532 967.4591       141.0104 130.5831 27.53883 177.6705 13.63697 -47.08740      30.73034 
1 1 1 20  22 30 o 152.5560 12.83121 712.2661       113.7384 492.4518       203.8477 811.6324       137.0558 116.3575 29.75747 161.9531 14.58583 -45.59555      33.13990 
1 1 1 20  22 31 o 51.76027 21.57732 38.64851       108.7593 -175.6295      201.7994 126.3680       129.1157 51.52380 24.49676 65.71936 24.69758 -14.19556      34.78594 
1 1 1 20  22 32 o 44.35614 19.92615 -28.59447      108.0512 291.4630       207.9088 -147.0277      126.4724 88.99977 31.66736 39.66510 19.00455 49.33467       36.93230 
1 1 1 20  22 33 o 63.59963 23.18502 124.0578       112.2466 -129.4416      206.4901 230.3840       133.7306 54.06362 25.42446 80.95331 25.34623 -26.88969      35.90034 
1 1 1 20  22 34 o 77.54385 26.52361 210.2437       145.0397 -54.83749      208.0153 461.0501       202.3369 58.20489 26.72711 109.9202 30.37654 -51.71529      40.46075 
1 1 1 20  22 35 o 134.6374 23.89598 628.6288       181.7762 511.6656       241.5401 781.3921       276.0414 111.8601 33.89583 139.5942 34.03062 -27.73406      48.03135 
1 1 1 20  22 36 o 39.85748 19.24308 -171.2955      135.5381 -306.0646      231.9181 -101.3884      167.0321 49.58875 24.22029 49.30745 23.08526 0.2812920      33.45971 
1 1 1 20  23 0  o 72.33497 22.50171 157.4534       105.5796 222.0198       111.2582 -427.0584      334.7535 84.34412 22.19526 64.54110 30.92207 19.80302       38.06316 
1 1 1 20  23 1  o 59.05500 21.84254 83.63324       100.2039 138.6080       105.3532 -437.8664      324.4838 68.94886 22.59121 62.75766 30.16586 6.191204       37.68742 
1 1 1 20  23 2  o 207.8472 11.88409 1280.862       144.2603 1300.722       157.2105 1174.995       362.9664 209.2602 12.87216 191.9756 33.45343 17.28458       35.84444 
1 1 1 20  23 3  o 157.1210 13.43036 736.4301       122.5722 757.9523       130.0869 566.1266       365.9341 159.2867 14.06978 132.1831 41.99954 27.10365       44.29356 
1 1 1 20  23 4  o 166.0311 13.04551 821.0544       126.0089 874.9548       134.5782 437.7939       358.8606 171.3340 13.50214 119.8948 41.68988 51.43923       43.82184 
1 1 1 20  23 5  o 319.7345 11.49305 3024.442       215.1633 3054.018       244.1247 2921.502       455.4366 320.9028 12.99833 309.0374 25.35115 11.86539       28.48925 
1 1 1 20  23 6  o 63.92756 22.41773 110.5816       103.8914 125.4777       107.4916 -100.6877      404.8143 66.83718 22.83441 86.75080 38.80042 -19.91362      45.02091 
1 1 1 20  23 7  o 122.7282 16.39116 456.3572       115.0319 444.2911       119.0518 626.0346       446.4396 120.8517 17.28906 138.3995 46.54214 -17.54787      49.64959 
1 1 1 20  23 8  o 190.7825 12.73304 1082.823       141.6537 1082.823       141.6537 0.000000       0.000000 190.7825 12.73304 ?        ?        0.000000       12.73304 
1 1 1 20  23 9  o 134.5894 15.80649 546.8432       122.3909 546.8432       122.3909 0.000000       0.000000 134.5894 15.80649 ?        ?        0.000000       15.80649 
1 1 1 20  23 10 f 133.9268 15.64289 541.5044       120.5556 541.5044       120.5556 0.000000       0.000000 133.9268 15.64289 ?        ?        0.000000       15.64289 
1 1 1 20  23 11 o 473.0700 19.75742 6751.218       546.9519 6751.218       546.9519 0.000000       0.000000 473.0700 19.75742 ?        ?        0.000000       19.75742 
1 1 1 20  23 12 o 66.64171 22.79942 125.7821       107.1703 125.7821       107.1703 0.000000       0.000000 66.64171 22.79942 ?        ?        0.000000       22.79942 
1 1 1 20  23 13 o 271.8679 11.51663 2192.449       183.2098 2192.449       183.2098 0.000000       0.000000 271.8679 11.51663 ?        ?        0.000000       11.51663 
1 1 1 20  23 14 o 175.0721 13.53079 916.4838       137.8509 916.4838       137.8509 0.000000       0.000000 175.0721 13.53079 ?        ?        0.000000       13.53079 
1 1 1 20  23 15 o 56.35967 22.41423 55.21266       110.9106 55.21266       110.9106 0.000000       0.000000 56.35967 22.41423 ?        ?        0.000000       22.41423 
1 1 1 20  23 16 o 243.3872 11.03055 1758.172       157.0417 1700.260       173.0283 2028.837       374.0688 238.9616 12.38865 255.2499 25.32168 -16.28830      28.18982 
1 1 1 20  23 17 o 238.0280 17.18259 1713.270       238.2508 1765.295       384.1052 1680.736       303.7423 235.7272 28.35217 233.2733 22.47996 2.453888       36.18279 
1 1 1 20  23 18 o 52.79570 21.53774 37.82320       105.2770 91.05830       114.9158 -240.1725      262.6031 61.74002 23.27878 60.54560 28.53419 1.194424       36.82529 
1 1 1 20  23 19 o 222.4974 10.61128 1472.207       138.0670 1387.532       163.2650 1684.787       258.6886 215.2377 12.99426 234.5903 18.96408 -19.35262      22.98885 
1 1 1 20  23 20 o 107.9523 17.56519 362.2732       107.3881 341.8009       125.7159 417.5344       206.5457 103.4902 21.41923 111.2925 30.66561 -7.802299      37.40539 
1 1 1 20  23 21 o 171.9750 11.42988 885.8703       114.6267 789.6784       139.8550 1082.734       200.0746 161.1065 14.97317 187.2095 18.46280 -26.10297      23.77122 
1 1 1 20  23 22 o 52.11591 21.01293 46.11492       98.86452 10.57540       127.5556 99.58737       156.4620 53.23174 22.82801 67.28522 26.66625 -14.05348      35.10281 
1 1 1 20  23 23 o 277.3955 8.708969 2285.242       141.5071 2251.875       204.8721 2315.685       195.6864 273.3637 12.81450 277.6501 12.04611 -4.286316      17.58751 
1 1 1 20  23 24 o 102.3617 16.87312 328.9467       97.76767 367.8928       152.9867 302.0612       127.1101 104.7422 25.21033 95.65444 22.95190 9.087730       34.09326 
1 1 1 20  23 25 o 34.12027 16.32190 -116.9972      92.48130 -107.9382      158.9070 -121.6371      113.7251 49.15947 22.84920 39.01324 18.50267 10.14622       29.40127 
1 1 1 20  23 26 o 122.0855 14.10007 458.6025       99.10391 424.9925       167.5066 476.7034       122.9271 111.6208 26.06319 122.9908 17.53841 -11.36999      31.41474 
1 1 1 20  23 27 o 102.2966 16.71481 331.1377       96.81989 268.6667       166.9744 362.7813       118.8376 88.05550 28.41112 105.6751 19.90485 -17.61960      34.68998 
1 1 1 20  23 28 o 237.9947 8.727295 1690.273       121.6078 1657.828       199.5811 1709.432       153.3654 232.0109 14.74393 238.1263 11.01151 -6.115402      18.40209 
1 1 1 20  23 29 o 177.8085 10.13840 951.4859       105.2856 1055.547       187.0805 903.2499       127.3711 182.7084 17.67965 171.9712 12.71889 10.73717       21.77935 
1 1 1 20  23 30 o 56.11623 21.28587 83.57764       96.41824 96.66299       174.2841 77.80647       115.7437 66.62901 27.50357 57.75813 22.92101 8.870888       35.80250 
1 1 1 20  23 31 o 91.89512 19.62644 279.7920       102.5598 235.8818       180.5698 300.7035       124.6105 82.13744 29.47945 93.61330 22.89080 -11.47585      37.32327 
1 1 1 20  23 32 o 56.65762 21.69563 85.79918       100.7690 -7.829555      181.9388 127.2307       121.0280 58.11301 26.00037 64.72588 23.99318 -6.612873      35.37925 
1 1 1 20  23 33 o 67.68664 22.38893 152.2606       103.3846 264.4991       180.7599 97.69595       126.0338 85.01786 29.58668 61.01547 24.01035 24.00239       38.10340 
1 1 1 20  23 34 o 55.17064 22.13186 69.98422       109.0788 161.0017       196.7769 29.61045       131.0574 73.35542 29.62077 53.68465 23.08253 19.67076       37.55254 
1 1 1 20  23 35 o 144.8363 24.02502 728.3332       196.9284 817.9943       223.1817 413.0693       418.4984 151.6757 26.02630 96.85358 41.43791 54.82213       48.93330 
1 1 1 20  23 36 o 79.09331 32.60354 206.3961       244.4595 239.6584       286.0243 116.2455       470.8810 83.09323 34.84035 83.51092 38.98819 -0.4176865     52.28699 
1 1 1 20  24 0  o 204.9143 11.85130 1245.882       141.8181 1172.295       156.4029 1586.156       336.3242 198.3957 13.52278 226.7648 25.74409 -28.36909      29.07961 
1 1 1 20  24 1  o 111.4987 18.10907 380.7740       114.3584 433.6118       122.0341 -0.5365734E-01 327.6219 119.1680 18.02350 83.34531 36.16629 35.82265       40.40850 
1 1 1 20  24 2  o 212.0131 11.56185 1332.790       143.2168 1318.469       156.3220 1407.620       357.3273 210.6249 12.71413 211.7641 29.57730 -1.139160      32.19419 
1 1 1 20  24 3  o 57.40725 21.75498 73.23502       100.6580 32.13985       105.3018 508.5774       342.7331 52.47834 21.48982 125.5690 40.72014 -73.09061      46.04283 
1 1 1 20  24 4  o 134.1061 14.60759 540.5605       113.0340 558.3434       119.3296 385.2431       352.6593 136.1844 15.19951 114.2717 41.17455 21.91266       43.89042 
1 1 1 20  24 5  o 174.8490 12.25467 909.5643       124.8696 924.9936       131.9214 776.7092       387.1073 176.2071 12.85401 151.5784 42.06494 24.62869       43.98505 
1 1 1 20  24 6  o 156.9134 13.79140 736.5591       125.6269 757.9854       131.6055 516.6788       421.5932 159.0900 14.25621 127.8539 45.13266 31.23608       47.33072 
1 1 1 20  24 7  o 136.3773 14.97417 560.0397       117.7988 603.4205       122.5806 36.33252       425.9096 141.6154 14.98624 95.22133 41.27825 46.39412       43.91448 
1 1 1 20  24 8  f 369.9532 16.86512 4100.856       364.9582 3954.755       470.9843 4320.416       577.3712 360.3762 22.39501 374.0075 26.49381 -13.63132      34.69090 
1 1 1 20  24 9  o 166.3948 13.46407 827.5343       130.2699 827.5343       130.2699 0.000000       0.000000 166.3948 13.46407 ?        ?        0.000000       13.46407 
1 1 1 20  24 10 o 165.7106 12.84524 819.6449       123.8627 819.6449       123.8627 0.000000       0.000000 165.7106 12.84524 ?        ?        0.000000       12.84524 
1 1 1 20  24 11 o 235.1296 11.84227 1642.257       162.7767 1642.257       162.7767 0.000000       0.000000 235.1296 11.84227 ?        ?        0.000000       11.84227 
1 1 1 20  24 12 o 151.8722 13.66231 691.3288       120.3901 691.3288       120.3901 0.000000       0.000000 151.8722 13.66231 ?        ?        0.000000       13.66231 
1 1 1 20  24 13 o 44.00411 19.23132 -15.88008      94.04254 -15.88008      94.04254 0.000000       0.000000 44.00411 19.23132 ?        ?        0.000000       19.23132 
1 1 1 20  24 14 o 127.6966 15.02224 493.3849       110.3534 493.3849       110.3534 0.000000       0.000000 127.6966 15.02224 ?        ?        0.000000       15.02224 
1 1 1 20  24 15 o 268.8390 24.52006 2246.608       382.3514 2246.608       382.3514 0.000000       0.000000 268.8390 24.52006 ?        ?        0.000000       24.52006 
1 1 1 20  24 16 o 116.2384 15.57369 411.8604       103.4986 424.3304       108.4684 285.0554       345.8893 117.8603 16.11373 102.8672 39.98055 14.99310       43.10564 
1 1 1 20  24 17 o 53.72243 20.09884 68.93160       85.30784 68.31219       90.94633 73.46736       246.1065 54.55227 20.67755 76.97915 32.29998 -22.42688      38.35166 
1 1 1 20  24 18 o 202.2340 10.00322 1215.603       118.2754 1199.017       135.9533 1267.230       239.8599 200.3787 11.61861 202.2875 20.50076 -1.908737      23.56423 
1 1 1 20  24 19 o 226.7483 9.293138 1526.352       123.3206 1475.180       147.9686 1642.734       223.1506 222.2258 11.39137 232.2632 16.48922 -10.03746      20.04140 
1 1 1 20  24 20 o 114.7712 13.25384 400.3861       87.57540 427.9174       101.0622 317.3911       175.4695 118.1664 14.91451 97.29712 28.75335 20.86924       32.39133 
1 1 1 20  24 21 f 100.6437 14.51213 311.9435       83.18621 368.1429       100.9225 192.8476       146.9165 108.8586 16.30947 78.40853 26.69744 30.45009       31.28501 
1 1 1 20  24 22 o 42.00959 17.57462 14.94965       72.53062 20.75960       90.27763 4.371397       121.8150 46.86578 19.60676 51.33910 22.16530 -4.473316      29.59266 
1 1 1 20  24 23 o 97.10909 14.47131 291.7896       79.90421 266.4010       113.6218 316.6314       112.3915 90.13406 21.74631 99.10810 20.02621 -8.974045      29.56266 
1 1 1 20  24 24 o 39.16134 17.00758 -4.983469      72.57642 3.968946       111.6331 -11.53773      95.51791 49.10285 21.20935 44.00741 19.30323 5.095440       28.67841 
1 1 1 20  24 25 o 116.0314 11.94831 409.3611       80.14687 486.8300       130.4466 362.3836       101.5813 123.7907 18.53740 107.3093 16.68259 16.48138       24.93881 
1 1 1 20  24 26 o 122.8097 12.11312 459.5480       86.11008 472.5391       138.8450 451.4279       109.7709 120.6774 20.34045 120.0861 15.98282 0.5913544      25.86860 
1 1 1 20  24 27 o 112.1535 13.13192 387.1300       84.74205 431.7924       140.5711 361.6328       106.2115 114.2192 21.77955 106.4003 17.63811 7.818832       28.02592 
1 1 1 20  24 28 o 148.9893 10.50372 670.2433       91.19194 548.5240       151.7953 738.9806       114.0709 129.4856 20.68445 155.5099 12.61563 -26.02429      24.22809 
1 1 1 20  24 29 o 87.84626 16.17404 246.6716       80.25871 133.7605       141.9364 299.7427       97.30935 67.76732 25.79769 96.23839 17.89935 -28.47107      31.39916 
1 1 1 20  24 30 o 69.45054 18.98485 159.5499       79.52399 226.4521       142.8551 129.5081       95.72787 80.53656 26.30158 63.64186 21.55179 16.89470       34.00372 
1 1 1 20  24 31 o 54.66712 19.93916 86.13394       83.03365 125.1602       150.4155 69.02867       99.58160 66.81526 26.24910 54.02678 21.31715 12.78849       33.81473 
1 1 1 20  24 32 o 77.76971 18.53081 200.6946       83.31252 352.6825       158.3340 142.5025       97.97187 98.57397 26.72322 65.78844 21.79623 32.78553       34.48487 
1 1 1 20  24 33 o 150.5754 10.43853 688.5855       91.61093 476.8119       165.8649 781.5486       109.8940 115.9383 25.12084 159.7032 11.81672 -43.76496      27.76133 
1 1 1 20  24 34 o 55.24230 20.01453 90.72343       83.47009 11.74633       160.6089 119.9487       97.70095 56.20721 24.82793 61.50039 21.72517 -5.293182      32.99105 
1 1 1 20  24 35 f 128.2096 12.53592 509.0373       93.05696 506.7183       94.74517 572.3754       495.1572 127.7635 12.81738 103.5947 44.70714 24.16882       46.50821 
1 1 1 20  25 0  o 186.7969 11.90064 1037.311       129.6959 914.4655       138.2364 1940.345       374.7955 174.9711 13.57735 250.3244 25.90324 -75.35327      29.24589 
1 1 1 20  25 1  o 110.4237 16.47218 371.7836       103.4173 331.0687       107.8023 841.9365       366.3286 103.5929 18.41880 158.1447 39.59158 -54.55177      43.66630 
1 1 1 20  25 2  o 110.2027 16.75133 370.8106       104.8618 387.4830       109.6420 192.0188       359.0482 112.6023 17.14300 98.71623 39.95757 13.88607       43.47976 
1 1 1 20  25 3  o 287.9744 11.22634 2456.992       189.2386 2399.306       214.1322 2662.722       404.3856 284.1065 12.88494 294.7890 23.58683 -10.68250      26.87676 
1 1 1 20  25 4  o 217.4580 12.05206 1405.113       153.1036 1473.446       166.3108 1025.417       392.0333 222.5144 12.79817 174.8647 39.19831 47.64966       41.23471 
1 1 1 20  25 5  o 313.5490 11.29003 2912.993       207.2723 2844.043       232.4302 3180.774       458.0548 309.3427 12.83947 321.6905 24.46230 -12.34778      27.62709 
1 1 1 20  25 6  o 252.0229 11.45462 1884.110       168.8629 1855.458       181.4841 2068.876       460.8633 249.8428 12.42470 255.0600 31.47619 -5.217148      33.83968 
1 1 1 20  25 7  f 130.2980 14.76888 512.0263       110.8709 528.7506       114.4962 260.4068       444.1084 132.3745 15.01290 109.3433 44.37356 23.03115       46.84442 
1 1 1 20  25 8  o 71.40173 21.06271 157.3468       94.22723 182.2256       96.41148 -373.1357      445.1935 76.33938 20.91812 78.90334 37.17569 -2.563957      42.65676 
1 1 1 20  25 9  o 221.0835 33.94196 1585.718       426.0506 1585.718       426.0506 0.000000       0.000000 221.0835 33.94196 ?        ?        0.000000       33.94196 
1 1 1 20  25 10 o 170.5621 12.91009 868.9684       128.1814 868.9684       128.1814 0.000000       0.000000 170.5621 12.91009 ?        ?        0.000000       12.91009 
1 1 1 20  25 11 o 138.1498 14.23119 574.4706       113.6557 574.4706       113.6557 0.000000       0.000000 138.1498 14.23119 ?        ?        0.000000       14.23119 
1 1 1 20  25 12 o 272.3295 11.45190 2202.451       182.4956 2202.451       182.4956 0.000000       0.000000 272.3295 11.45190 ?        ?        0.000000       11.45190 
1 1 1 20  25 13 o 313.5340 22.43989 3024.149       409.8970 3024.149       409.8970 0.000000       0.000000 313.5340 22.43989 ?        ?        0.000000       22.43989 
1 1 1 20  25 14 o 240.4547 11.42441 1719.858       160.6474 1719.858       160.6474 0.000000       0.000000 240.4547 11.42441 ?        ?        0.000000       11.42441 
1 1 1 20  25 15 o 57.79573 19.82790 94.55697       81.06895 94.55697       81.06895 0.000000       0.000000 57.79573 19.82790 ?        ?        0.000000       19.82790 
1 1 1 20  25 16 o 80.19256 32.11955 136.5442       229.3733 -2.658249      354.0818 237.1977       301.0889 83.33632 36.83552 94.99039 37.19136 -11.65408      52.34551 
1 1 1 20  25 17 o 128.9807 11.28341 498.8634       84.49371 531.4643       91.03950 296.3016       226.9309 133.0263 11.79123 96.07208 33.16553 36.95422       35.19923 
1 1 1 20  25 18 o 100.6006 13.15819 308.2419       75.77412 327.6914       81.66991 187.9377       203.1181 103.5939 13.78418 82.09257 30.94968 21.50135       33.88047 
1 1 1 20  25 19 o 197.6853 9.138583 1162.047       105.6640 1112.191       126.5521 1276.806       191.9999 192.7024 11.24665 204.3157 16.15455 -11.61331      19.68392 
1 1 1 20  25 20 o 106.3595 11.85378 342.7586       72.68553 381.1851       83.12742 217.9790       149.7963 111.9116 12.90123 82.06933 26.94073 29.84231       29.87046 
1 1 1 20  25 21 o 117.1217 10.49462 412.5523       71.32331 453.1329       87.00811 329.4267       124.5283 122.2389 12.30388 100.5275 21.75451 21.71140       24.99288 
1 1 1 20  25 22 o 59.99901 16.84498 113.9897       61.69103 165.0357       75.91528 14.73801       105.8565 71.68813 18.06602 49.20449 20.93968 22.48364       27.65594 
1 1 1 20  25 23 o 104.0315 10.77470 327.2074       64.78807 309.2653       86.06680 350.6691       98.41883 99.65128 15.20758 105.7661 16.39693 -6.114838      22.36358 
1 1 1 20  25 24 o 25.96553 12.38760 -66.33878      52.51508 -77.14618      65.70892 -47.23092      87.37150 29.41378 13.98290 38.27738 17.48058 -8.863598      22.38509 
1 1 1 20  25 25 o 125.7143 9.292395 474.1918       68.02708 415.7789       95.61967 534.0569       96.80083 115.8365 14.38401 132.2303 12.63589 -16.39383      19.14590 
1 1 1 20  25 26 o 34.73451 14.98420 -1.066504      55.58141 -19.78964      76.86845 19.44847       80.46265 38.25075 17.02090 44.07222 18.47906 -5.821468      25.12343 
1 1 1 20  25 27 o 159.2179 8.137053 756.4877       75.72982 753.0073       116.0752 759.0670       99.92623 156.9131 12.72237 158.4456 10.81837 -1.532547      16.70018 
1 1 1 20  25 28 o 32.00113 14.58006 -32.08606      60.32585 -179.7991      93.24523 74.24611       79.11330 30.35542 14.93431 52.31310 19.39732 -21.95769      24.48039 
1 1 1 20  25 29 o 118.8810 10.37156 428.6821       71.58815 310.2559       115.7724 501.9955       91.09054 96.05617 21.12646 127.8858 12.29646 -31.82967      24.44443 
1 1 1 20  25 30 o 69.81043 16.37173 158.5613       65.86147 182.6651       114.7297 146.7138       80.43513 73.22520 23.54369 66.51263 19.41694 6.712570       30.51758 
1 1 1 20  25 31 o 146.5346 9.675831 648.3756       82.68784 648.3756       82.68784 0.000000       0.000000 146.5346 9.675831 ?        ?        0.000000       9.675831 
1 1 1 20  25 32 o 42.79248 16.50042 42.84872       58.56764 42.84872       58.56764 0.000000       0.000000 42.79248 16.50042 ?        ?        0.000000       16.50042 
1 1 1 20  25 33 o 99.52975 13.97608 312.0096       79.33635 312.0096       79.33635 0.000000       0.000000 99.52975 13.97608 ?        ?        0.000000       13.97608 
1 1 1 20  25 34 o 67.98955 18.59951 154.8214       76.29525 154.8214       76.29525 0.000000       0.000000 67.98955 18.59951 ?        ?        0.000000       18.59951 
1 1 1 20  26 0  o 186.5860 12.49764 1037.448       135.9709 1106.062       148.3355 676.5839       340.1797 192.5046 13.21897 141.2876 39.51626 51.21703       41.66864 
1 1 1 20  26 1  o 161.9888 12.71865 783.5277       119.8621 749.4090       126.9341 1064.381       364.1844 158.1421 13.82499 179.4824 35.85324 -21.34038      38.42636 
1 1 1 20  26 2  o 59.06076 21.27408 90.71499       94.13654 106.0372       98.08454 -88.20541      335.1733 62.19991 21.78444 78.41300 35.17060 -16.21310      41.37067 
1 1 1 20  26 3  o 105.2209 17.75772 340.9204       105.6858 383.2641       110.9962 -70.10822      345.8199 111.7755 17.50634 80.60087 35.96879 31.17461       40.00282 
1 1 1 20  26 4  o 108.4280 17.25011 360.7197       106.0233 317.4243       111.0098 810.4237       357.7697 100.9994 19.44650 154.4123 39.38696 -53.41285      43.92606 
1 1 1 20  26 5  o 148.0386 13.42793 656.7722       115.3160 642.8525       120.8382 798.7103       385.8684 146.2459 14.27000 152.1721 41.90844 -5.926178      44.27132 
1 1 1 20  26 6  o 76.08134 33.53336 -32.95500      291.4691 -577.2398      421.9688 463.6898       403.0790 69.72713 33.73444 121.4556 43.98507 -51.72850      55.43193 
1 1 1 20  26 7  o 147.4979 13.48967 652.3741       115.4006 646.6935       119.7207 726.8496       433.4918 146.7031 14.08784 144.2534 45.69761 2.449783       47.81985 
1 1 1 20  26 8  o 108.1013 16.08307 356.9676       98.86385 390.6941       102.1555 -141.2271      392.6228 113.2598 15.80945 82.06503 37.31424 31.19475       40.52520 
1 1 1 20  26 9  o 145.7146 13.49725 637.2490       114.0342 637.2490       114.0342 0.000000       0.000000 145.7146 13.49725 ?        ?        0.000000       13.49725 
1 1 1 20  26 10 f 223.4878 31.30219 1611.265       399.0437 1611.265       399.0437 0.000000       0.000000 223.4878 31.30219 ?        ?        0.000000       31.30219 
1 1 1 20  26 11 o 232.1841 11.44590 1603.368       155.3790 1603.368       155.3790 0.000000       0.000000 232.1841 11.44590 ?        ?        0.000000       11.44590 
1 1 1 20  26 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 20  26 13 o 81.93314 18.00978 210.6760       84.17635 210.6760       84.17635 0.000000       0.000000 81.93314 18.00978 ?        ?        0.000000       18.00978 
1 1 1 20  26 14 o 25.82693 12.64655 -123.2501      64.42942 -123.2501      64.42942 0.000000       0.000000 25.82693 12.64655 ?        ?        0.000000       12.64655 
1 1 1 20  26 15 o 99.63953 13.36751 302.2060       76.14581 315.8510       79.16463 133.4626       278.3931 101.8386 13.59386 84.21914 34.76229 17.61943       37.32573 
1 1 1 20  26 16 o 26.67063 12.65196 -63.07027      53.23542 -59.37728      54.53355 -137.8822      245.4483 27.48909 12.96982 62.17871 28.72473 -34.68962      31.51708 
1 1 1 20  26 17 o 165.6463 9.566254 817.5165       92.53858 751.6797       101.3959 1145.732       226.3944 158.4125 10.98189 191.2173 20.50776 -32.80489      23.26307 
1 1 1 20  26 18 o 170.9216 9.137675 869.7922       91.26446 859.5049       104.8132 902.0456       185.5896 169.4651 10.59901 169.9939 18.93639 -0.5288086     21.70083 
1 1 1 20  26 19 o 109.1944 10.68178 359.1709       67.53208 388.4900       74.89206 231.6123       156.2125 113.3955 11.41655 84.07497 27.50665 29.32056       29.78177 
1 1 1 20  26 20 o 131.3763 9.341686 516.0122       71.50728 514.6481       85.22723 519.2560       131.4226 130.6490 11.23191 128.6230 17.90698 2.025940       21.13802 
1 1 1 20  26 21 o 149.0159 8.362134 661.1333       72.78711 681.7875       94.82882 631.5153       113.5572 150.5811 10.80982 143.8487 13.62272 6.732376       17.39054 
1 1 1 20  26 22 o 182.1981 7.273677 984.4769       77.56657 996.0362       108.8611 972.5562       110.5498 182.2772 10.22432 179.9951 10.51825 2.282074       14.66868 
1 1 1 20  26 23 o 93.55605 8.875529 262.8706       48.11616 239.3031       60.66096 302.8554       79.01318 88.34898 12.01865 98.86445 14.02003 -10.51546      18.46643 
1 1 1 20  26 24 o 52.68637 11.95922 87.01851       36.10476 78.70271       44.37231 103.3109       62.10860 50.06933 14.36389 57.10358 17.16304 -7.034252      22.38060 
1 1 1 20  26 25 o 60.23743 14.98586 115.8450       52.72522 -259.7145      299.3056 127.8725       53.56284 61.07141 29.25421 63.36081 14.69931 -2.289394      32.73956 
1 1 1 20  26 26 o 99.94340 10.35982 303.1190       59.84384 63.68045       293.9781 313.4700       61.12369 75.44404 33.44462 101.6386 10.40066 -26.19458      35.02451 
1 1 1 20  26 27 o 88.12899 36.06071 257.8628       296.2219 257.8628       296.2219 0.000000       0.000000 88.12899 36.06071 ?        ?        0.000000       36.06071 
1 1 1 20  26 28 o 93.19048 37.18637 328.5891       306.2841 328.5891       306.2841 0.000000       0.000000 93.19048 37.18637 ?        ?        0.000000       37.18637 
1 1 1 20  26 29 o 62.58022 29.69520 -169.1181      293.6731 -169.1181      293.6731 0.000000       0.000000 62.58022 29.69520 ?        ?        0.000000       29.69520 
1 1 1 20  26 30 o 100.1594 38.54747 430.1947       319.2085 430.1947       319.2085 0.000000       0.000000 100.1594 38.54747 ?        ?        0.000000       38.54747 
1 1 1 20  26 31 o 72.40427 32.68859 50.82459       294.9375 50.82459       294.9375 0.000000       0.000000 72.40427 32.68859 ?        ?        0.000000       32.68859 
1 1 1 20  26 32 o 142.6419 38.24750 886.1199       326.4996 886.1199       326.4996 0.000000       0.000000 142.6419 38.24750 ?        ?        0.000000       38.24750 
1 1 1 20  26 33 o 154.5432 36.93184 1009.319       330.1607 1009.319       330.1607 0.000000       0.000000 154.5432 36.93184 ?        ?        0.000000       36.93184 
1 1 1 20  27 0  o 38.75032 18.22183 -108.0371      106.0347 824.7792       546.3203 -144.5523      108.0901 151.2405 51.48254 36.81856 17.62154 114.4219       54.41480 
1 1 1 20  27 1  o 141.4181 14.28143 601.9897       116.8266 719.2217       466.5992 594.1490       120.6702 143.1196 47.57157 140.3287 14.88928 2.790863       49.84722 
1 1 1 20  27 2  o 223.5985 10.86765 1483.720       142.0864 1362.601       510.4628 1493.892       147.9327 196.6488 45.20794 224.2618 11.28381 -27.61305      46.59488 
1 1 1 20  27 3  o 36.83554 17.65455 -149.2276      109.3382 -589.7396      475.7837 -124.6666      112.3449 75.02959 36.18168 39.14872 18.51453 35.88087       40.64360 
1 1 1 20  27 4  o 64.89168 23.49936 110.6452       115.0495 -822.7919      439.5311 179.3046       119.2057 65.24802 32.16319 76.41481 23.93093 -11.16679      40.08940 
1 1 1 20  27 5  o 118.4512 36.13181 466.2528       273.8434 230.4148       391.0194 693.2640       383.6322 102.6315 41.64165 141.1212 42.70840 -38.48972      59.64927 
1 1 1 20  27 6  f 188.1830 25.78400 1114.619       277.0900 922.8865       360.4908 1391.462       433.1740 164.6276 38.09314 203.4466 37.69229 -38.81902      53.58914 
1 1 1 20  27 7  o 272.4667 20.25281 2267.423       321.3160 1940.806       430.6860 2677.425       482.5412 245.8618 30.52417 290.6010 28.68682 -44.73921      41.88865 
1 1 1 20  27 8  o 247.8459 21.93094 1893.433       315.4923 1543.433       425.6729 2320.037       469.9533 215.8791 34.80464 268.8736 30.33149 -52.99454      46.16668 
1 1 1 20  27 9  o 90.54593 18.52166 256.5884       95.03635 256.5884       95.03635 0.000000       0.000000 90.54593 18.52166 ?        ?        0.000000       18.52166 
1 1 1 20  27 10 o 212.7480 33.28730 1495.888       401.7260 1495.888       401.7260 0.000000       0.000000 212.7480 33.28730 ?        ?        0.000000       33.28730 
1 1 1 20  27 11 o 294.5500 11.45366 2582.572       197.4809 2582.572       197.4809 0.000000       0.000000 294.5500 11.45366 ?        ?        0.000000       11.45366 
1 1 1 20  27 12 o 168.4589 11.15536 847.2549       109.5911 847.2549       109.5911 0.000000       0.000000 168.4589 11.15536 ?        ?        0.000000       11.15536 
1 1 1 20  27 13 o 280.4464 11.13737 2344.308       182.8178 2344.308       182.8178 0.000000       0.000000 280.4464 11.13737 ?        ?        0.000000       11.13737 
1 1 1 20  27 14 o 151.9259 10.81840 690.4080       95.76230 690.4080       95.76230 0.000000       0.000000 151.9259 10.81840 ?        ?        0.000000       10.81840 
1 1 1 20  27 15 o 111.5588 12.05372 376.3706       77.61260 376.3706       77.61260 0.000000       0.000000 111.5588 12.05372 ?        ?        0.000000       12.05372 
1 1 1 20  27 16 o 73.30199 14.82384 168.0993       61.53492 185.5638       63.96095 -49.10791      225.5662 77.14587 14.67286 63.98234 28.76263 13.16353       32.28904 
1 1 1 20  27 17 o 96.08443 27.44923 312.4443       162.3720 215.5861       313.0298 348.0981       189.9199 90.91927 37.12026 100.5452 29.96432 -9.625938      47.70508 
1 1 1 20  27 18 o 49.30754 22.36866 -57.09666      140.1062 -285.5029      337.1236 -9.410698      154.0389 66.10328 31.49451 55.69836 24.46974 10.40492       39.88324 
1 1 1 20  27 19 o 91.41769 22.55017 276.2072       120.1390 422.1797       352.0718 256.9701       127.8103 107.4734 40.69597 87.75160 24.10051 19.72177       47.29689 
1 1 1 20  27 20 o 107.9399 15.29019 362.0930       94.08714 69.45525       347.3404 385.2657       97.74134 82.55590 36.48721 111.3621 15.37529 -28.80621      39.59440 
1 1 1 20  27 21 o 68.14951 16.04580 148.1869       63.06302 -0.7154098     352.2729 153.1168       64.09847 78.68905 35.60633 69.27625 16.08599 9.412796       39.07134 
1 1 1 20  27 22 o 59.26419 29.07589 -494.6248      345.6741 -494.6248      345.6741 0.000000       0.000000 59.26419 29.07589 ?        ?        0.000000       29.07589 
1 1 1 20  27 23 o 68.75591 32.12162 -127.7997      320.5191 -127.7997      320.5191 0.000000       0.000000 68.75591 32.12162 ?        ?        0.000000       32.12162 
1 1 1 20  27 24 o 74.35575 33.27896 32.98302       298.3364 32.98302       298.3364 0.000000       0.000000 74.35575 33.27896 ?        ?        0.000000       33.27896 
1 1 1 20  27 25 o 88.30357 36.28636 250.8783       301.5663 250.8783       301.5663 0.000000       0.000000 88.30357 36.28636 ?        ?        0.000000       36.28636 
1 1 1 20  27 26 o 58.77567 28.31941 -273.7181      289.9962 -273.7181      289.9962 0.000000       0.000000 58.77567 28.31941 ?        ?        0.000000       28.31941 
1 1 1 20  27 27 o 133.5287 38.17479 752.2373       313.9392 752.2373       313.9392 0.000000       0.000000 133.5287 38.17479 ?        ?        0.000000       38.17479 
1 1 1 20  27 28 o 121.3087 35.26869 603.0059       265.8605 603.0059       265.8605 0.000000       0.000000 121.3087 35.26869 ?        ?        0.000000       35.26869 
1 1 1 20  27 29 o 88.52420 34.49441 295.3698       257.9970 295.3698       257.9970 0.000000       0.000000 88.52420 34.49441 ?        ?        0.000000       34.49441 
1 1 1 20  27 30 o 93.24780 37.41960 356.3697       311.9327 356.3697       311.9327 0.000000       0.000000 93.24780 37.41960 ?        ?        0.000000       37.41960 
1 1 1 20  27 31 o 77.50357 34.95305 105.4671       336.1631 105.4671       336.1631 0.000000       0.000000 77.50357 34.95305 ?        ?        0.000000       34.95305 
1 1 1 20  27 32 o 79.59245 35.66480 143.2757       343.7421 143.2757       343.7421 0.000000       0.000000 79.59245 35.66480 ?        ?        0.000000       35.66480 
1 1 1 20  28 0  o 164.7779 12.89474 813.0123       123.6208 1331.871       563.5635 786.7844       126.7068 188.9149 50.06698 161.9313 13.46361 26.98360       51.84565 
1 1 1 20  28 1  f 148.8654 15.87158 671.8303       136.4339 1191.745       516.6268 632.8524       141.4557 179.9413 48.05054 144.0655 17.07364 35.87573       50.99376 
1 1 1 20  28 2  o 127.9877 17.75840 502.8601       129.7112 891.9105       525.8972 477.6592       133.8463 154.6470 50.46171 124.3023 18.95934 30.34467       53.90585 
1 1 1 20  28 3  o 209.3389 11.22648 1303.814       137.3259 2073.013       492.6157 1239.001       142.9945 250.8056 34.39546 203.8404 12.01459 46.96523       36.43348 
1 1 1 20  28 4  o 137.3972 16.69833 575.8348       131.7961 0.000000       0.000000 575.8348       131.7961 ?        ?        137.3972 16.69833 0.000000       16.69833 
1 1 1 20  28 5  f 207.5896 11.06215 1282.148       134.1914 1497.390       414.0980 1256.893       141.8458 212.2908 34.43898 205.3169 11.82998 6.973953       36.41417 
1 1 1 20  28 6  o 220.2252 10.69932 1441.632       137.7756 1122.953       405.8330 1483.145       146.4747 179.6116 39.59449 223.2304 11.22417 -43.61876      41.15466 
1 1 1 20  28 7  o 50.19017 20.47198 33.93259       95.09975 556.1101       378.8255 -1.188520      98.24586 126.3010 42.87202 46.45852 19.98053 79.84247       47.29939 
1 1 1 20  28 8  o 75.25533 33.07347 -7.844271      281.6348 -30.40872      375.1640 21.29092       426.3023 84.12274 37.50715 91.44714 40.41937 -7.324402      55.14084 
1 1 1 20  28 9  o 71.27479 22.12548 157.8525       102.1379 0.000000       0.000000 157.8525       102.1379 ?        ?        71.27479 22.12548 0.000000       22.12548 
1 1 1 20  28 10 o 75.52924 20.28735 181.4818       91.76254 342.5050       364.0180 170.5551       94.82483 106.2414 41.09088 73.36669 20.98223 32.87475       46.13799 
1 1 1 20  28 11 o 170.8582 10.24684 870.3702       102.2059 1599.666       382.3362 814.2442       106.0658 219.6690 30.49903 165.0226 11.02246 54.64636       32.42970 
1 1 1 20  28 12 f 118.2748 13.06312 424.2620       89.10482 849.4545       347.7296 394.3806       92.18269 152.8454 38.74600 113.6632 14.13301 39.18224       41.24311 
1 1 1 20  28 13 o 128.1544 11.82424 495.1033       87.86894 871.9636       328.7750 466.1140       91.18592 155.7727 36.61077 124.0503 12.71337 31.72246       38.75537 
1 1 1 20  28 14 o 52.11814 19.21271 69.81546       77.41586 -8.688147      337.3606 74.17915       79.53838 79.03434 35.37962 53.23162 19.49927 25.80272       40.39727 
1 1 1 20  28 15 o 115.4017 11.59820 402.5764       77.43378 370.2415       348.8309 404.2523       79.41510 104.4692 40.27274 115.5577 11.88737 -11.08852      41.99051 
1 1 1 20  28 16 o 35.06311 15.67303 -23.23632      65.94691 -406.9436      340.1906 -8.253990      67.22208 62.32371 30.18544 37.33141 16.28831 24.99230       34.29971 
1 1 1 20  28 17 f 210.5771 7.423489 1314.308       91.53554 1569.494       366.9998 1297.380       94.52279 214.0784 30.05776 209.1241 7.720190 4.954285       31.03337 
1 1 1 20  28 18 o 92.93304 22.92660 286.9260       124.1728 668.2845       358.2938 234.8690       132.3768 128.9319 41.61977 83.81790 25.02536 45.11397       48.56413 
1 1 1 20  28 19 f 90.60936 14.27149 255.2350       73.33298 -32.28695      351.8330 268.2933       74.97977 77.29209 35.21344 92.96831 14.20159 -15.67622      37.96935 
1 1 1 20  28 20 f 77.56092 35.03472 5.944921       339.3032 5.944921       339.3032 0.000000       0.000000 77.56092 35.03472 ?        ?        0.000000       35.03472 
1 1 1 20  28 21 o 87.50018 38.01106 172.6941       362.7189 172.6941       362.7189 0.000000       0.000000 87.50018 38.01106 ?        ?        0.000000       38.01106 
1 1 1 20  28 22 o 140.6398 40.67508 828.7916       354.4615 828.7916       354.4615 0.000000       0.000000 140.6398 40.67508 ?        ?        0.000000       40.67508 
1 1 1 20  28 23 o 74.87225 33.78572 21.80360       314.6052 21.80360       314.6052 0.000000       0.000000 74.87225 33.78572 ?        ?        0.000000       33.78572 
1 1 1 20  28 24 o 74.87537 33.56482 44.64248       304.7927 44.64248       304.7927 0.000000       0.000000 74.87537 33.56482 ?        ?        0.000000       33.56482 
1 1 1 20  28 25 o 75.58541 33.56155 77.20206       297.2308 77.20206       297.2308 0.000000       0.000000 75.58541 33.56155 ?        ?        0.000000       33.56155 
1 1 1 20  28 26 o 83.25109 34.90265 210.7231       286.9991 210.7231       286.9991 0.000000       0.000000 83.25109 34.90265 ?        ?        0.000000       34.90265 
1 1 1 20  28 27 o 105.3834 37.29582 474.9417       288.0417 474.9417       288.0417 0.000000       0.000000 105.3834 37.29582 ?        ?        0.000000       37.29582 
1 1 1 20  28 28 o 167.6358 31.47178 1063.404       298.0529 1063.404       298.0529 0.000000       0.000000 167.6358 31.47178 ?        ?        0.000000       31.47178 
1 1 1 20  28 29 o 83.05003 34.91320 228.8112       288.3866 228.8112       288.3866 0.000000       0.000000 83.05003 34.91320 ?        ?        0.000000       34.91320 
1 1 1 20  28 30 o 70.66803 32.59041 -1.571450      314.0016 -1.571450      314.0016 0.000000       0.000000 70.66803 32.59041 ?        ?        0.000000       32.59041 
1 1 1 20  28 31 o 80.13686 35.98373 148.6926       351.9261 148.6926       351.9261 0.000000       0.000000 80.13686 35.98373 ?        ?        0.000000       35.98373 
1 1 1 20  29 0  o 186.5178 13.25816 1044.013       144.0833 1136.781       557.9870 1037.386       149.1412 170.4067 51.49349 185.7496 13.78883 -15.34297      53.30771 
1 1 1 20  29 1  o 33.99804 16.81873 -272.7796      123.9956 -713.9685      507.6176 -244.7845      127.8691 73.76027 35.98402 36.05202 17.68693 37.70825       40.09585 
1 1 1 20  29 2  o 53.84398 26.40629 -500.2317      284.2434 -625.6366      463.0429 -424.4016      360.0683 71.53609 34.77935 66.06455 31.76094 5.471535       47.09947 
1 1 1 20  29 3  o 226.9768 11.20930 1534.875       148.7527 629.6428       427.2477 1659.743       158.6809 131.9921 45.50975 235.9529 11.50163 -103.9608      46.94065 
1 1 1 20  29 4  o 67.44969 23.80813 128.7180       117.3157 -433.0951      354.6319 197.7552       124.3149 64.98398 31.31223 79.15128 24.38227 -14.16730      39.68565 
1 1 1 20  29 5  o 156.9840 13.14589 741.7847       119.9204 627.1691       397.0865 753.2872       125.7941 131.1964 43.89161 158.0285 13.70842 -26.83211      45.98254 
1 1 1 20  29 6  o 199.6502 10.66910 1187.885       124.4710 397.9363       394.8463 1275.049       131.1585 111.6931 42.90141 206.8083 10.85176 -95.11516      44.25259 
1 1 1 20  29 7  o 48.44468 20.35224 17.78361       97.89850 -103.8965      395.0959 25.74309       101.0497 81.47311 37.19402 50.09415 20.83382 31.37896       42.63148 
1 1 1 20  29 8  o 192.0333 10.33110 1099.343       115.9236 1172.420       388.2958 1092.192       121.4629 181.8512 37.64870 191.2377 10.87459 -9.386536      39.18777 
1 1 1 20  29 9  o 243.4570 9.893141 1763.801       140.9618 1734.206       384.6221 1768.393       151.5034 229.0775 29.29845 243.4989 10.63466 -14.42139      31.16882 
1 1 1 20  29 10 o 274.3303 24.43625 2407.405       389.0397 2407.405       389.0397 0.000000       0.000000 274.3303 24.43625 ?        ?        0.000000       24.43625 
1 1 1 20  29 11 o 156.2395 11.90861 734.8903       108.2974 0.000000       0.000000 734.8903       108.2974 ?        ?        156.2395 11.90861 0.000000       11.90861 
1 1 1 20  29 12 o 47.97668 19.56791 33.86039       86.87925 292.9479       357.9960 17.64663       89.55647 99.13179 39.98003 46.33057 19.46505 52.80122       44.46674 
1 1 1 20  29 13 o 90.35635 17.58919 258.8295       89.85410 157.3392       340.8687 266.4084       93.14866 88.43834 37.60367 91.55947 17.98888 -3.121132      41.68496 
1 1 1 20  29 14 o 127.9270 12.33733 496.3737       91.41538 343.3441       348.3816 507.6895       94.73498 101.5199 39.92842 129.2784 12.65693 -27.75852      41.88647 
1 1 1 20  29 15 o 28.09035 13.61498 -110.6759      69.53252 -556.6494      352.6947 -92.64142      70.92448 59.17196 29.09841 29.82908 14.27574 29.34288       32.41164 
1 1 1 20  29 16 o 41.51755 16.85484 25.73863       64.10278 113.1092       348.7410 22.68342       65.21394 85.14228 37.12523 41.27955 16.90865 43.86273       40.79443 
1 1 1 20  29 17 o 57.17458 23.26497 59.32162       122.4659 -479.4282      346.1101 136.4261       130.9364 60.19144 29.43937 68.34718 25.02132 -8.155739      38.63603 
1 1 1 20  29 18 o 72.64189 33.82663 -123.7578      350.8166 -123.7578      350.8166 0.000000       0.000000 72.64189 33.82663 ?        ?        0.000000       33.82663 
1 1 1 20  29 19 o 65.43586 31.18617 -245.2465      331.0812 -245.2465      331.0812 0.000000       0.000000 65.43586 31.18617 ?        ?        0.000000       31.18617 
1 1 1 20  29 20 o 120.4772 39.63677 602.8139       324.1784 602.8139       324.1784 0.000000       0.000000 120.4772 39.63677 ?        ?        0.000000       39.63677 
1 1 1 20  29 21 o 56.47438 27.69596 -442.4367      312.6556 -442.4367      312.6556 0.000000       0.000000 56.47438 27.69596 ?        ?        0.000000       27.69596 
1 1 1 20  29 22 o 66.85548 31.16942 -107.1469      299.2885 -107.1469      299.2885 0.000000       0.000000 66.85548 31.16942 ?        ?        0.000000       31.16942 
1 1 1 20  29 23 o 80.14775 34.80288 139.7666       303.8186 139.7666       303.8186 0.000000       0.000000 80.14775 34.80288 ?        ?        0.000000       34.80288 
1 1 1 20  29 24 o 83.42860 35.87901 189.7271       316.7745 189.7271       316.7745 0.000000       0.000000 83.42860 35.87901 ?        ?        0.000000       35.87901 
1 1 1 20  29 25 o 87.92783 36.46308 268.8707       308.2680 268.8707       308.2680 0.000000       0.000000 87.92783 36.46308 ?        ?        0.000000       36.46308 
1 1 1 20  29 26 o 114.0475 38.17177 570.6056       300.3311 570.6056       300.3311 0.000000       0.000000 114.0475 38.17177 ?        ?        0.000000       38.17177 
1 1 1 20  29 27 o 90.93749 37.16382 321.0191       314.1396 321.0191       314.1396 0.000000       0.000000 90.93749 37.16382 ?        ?        0.000000       37.16382 
1 1 1 20  29 28 o 108.8079 38.74059 540.7952       311.2061 540.7952       311.2061 0.000000       0.000000 108.8079 38.74059 ?        ?        0.000000       38.74059 
1 1 1 20  29 29 o 92.18930 37.71056 353.6695       323.8242 353.6695       323.8242 0.000000       0.000000 92.18930 37.71056 ?        ?        0.000000       37.71056 
1 1 1 20  29 30 o 85.25679 37.29207 245.1126       354.2848 245.1126       354.2848 0.000000       0.000000 85.25679 37.29207 ?        ?        0.000000       37.29207 
1 1 1 20  30 0  o 48.35941 21.03842 -7.826824      111.4530 245.2359       497.4456 -21.20163      114.3603 105.6709 45.19320 47.63142 20.99889 58.03947       49.83351 
1 1 1 20  30 1  o 50.38166 21.76293 -0.3732476     117.5495 -684.3679      449.4579 49.84799       121.7885 67.69944 33.20213 56.80753 23.16867 10.89191       40.48665 
1 1 1 20  30 2  o 264.2972 10.01282 2078.167       154.9222 2008.789       450.3524 2087.479       164.9918 244.3888 32.20400 264.6401 10.65233 -20.25125      33.92005 
1 1 1 20  30 3  o 120.1566 18.07353 450.1866       123.4214 245.7579       426.4585 468.8744       128.9393 101.4229 42.53507 122.4934 18.52636 -21.07050      46.39460 
1 1 1 20  30 4  o 165.9971 13.00821 831.2669       125.6285 -4.751683      405.0179 920.2643       132.1463 86.20074 38.66286 174.7115 12.98977 -88.51079      40.78665 
1 1 1 20  30 5  o 103.5142 19.10370 339.0318       111.7044 216.4060       350.3878 352.9048       117.8539 94.58591 39.01595 105.4004 19.79226 -10.81450      43.74903 
1 1 1 20  30 6  o 84.50550 21.43352 231.3464       106.3677 -8.246796      363.6027 253.7694       111.2338 81.93691 36.70061 88.45835 21.62546 -6.521439      42.59807 
1 1 1 20  30 7  o 103.3586 17.95861 336.2803       104.9120 762.9217       372.4197 299.5050       109.3401 140.7828 41.96101 96.69949 19.94243 44.08328       46.45887 
1 1 1 20  30 8  o 54.03978 21.62889 54.34132       103.9319 -195.8463      362.7506 76.71544       108.4796 72.80976 34.06663 57.88271 22.41947 14.92705       40.78195 
1 1 1 20  30 9  o 144.6351 13.28083 635.3508       111.3981 501.6942       365.0962 649.0714       116.9763 115.6522 41.86446 145.9924 13.82687 -30.34022      44.08872 
1 1 1 20  30 10 o 69.64063 21.49329 154.5837       96.54592 -150.5743      351.3760 179.5032       100.4106 73.08137 33.97111 74.44963 21.68317 -1.368263      40.30132 
1 1 1 20  30 11 o 59.47604 21.29709 100.0477       94.18377 382.2339       345.9121 77.45290       97.88184 104.5796 40.15866 56.25956 21.42172 48.32004       45.51492 
1 1 1 20  30 12 o 169.0625 11.50177 861.0505       113.3622 0.000000       0.000000 861.0505       113.3622 ?        ?        169.0625 11.50177 0.000000       11.50177 
1 1 1 20  30 13 o 49.69703 19.95553 44.70887       88.77192 464.6092       355.5887 16.79958       91.67464 110.5519 41.09871 46.46972 19.61818 64.08221       45.54094 
1 1 1 20  30 14 o 34.58026 16.16837 -71.37346      81.47649 424.6853       363.7648 -97.57394      83.60048 106.9426 41.15203 33.07859 15.73847 73.86401       44.05893 
1 1 1 20  30 15 o 138.0887 10.51629 573.9754       84.52642 81.40587       365.5859 601.7939       86.88051 84.01450 37.26725 141.4005 10.55271 -57.38601      38.73251 
1 1 1 20  30 16 o 132.4960 17.69061 554.3830       134.0343 575.7291       371.4300 551.1871       143.7181 117.8967 42.28408 131.2856 19.23621 -13.38886      46.45402 
1 1 1 20  30 17 o 71.10075 33.43590 -163.6860      357.0977 -163.6860      357.0977 0.000000       0.000000 71.10075 33.43590 ?        ?        0.000000       33.43590 
1 1 1 20  30 18 o 88.36277 37.92691 204.3044       352.6689 204.3044       352.6689 0.000000       0.000000 88.36277 37.92691 ?        ?        0.000000       37.92691 
1 1 1 20  30 19 o 79.51527 35.55498 70.45916       339.6897 70.45916       339.6897 0.000000       0.000000 79.51527 35.55498 ?        ?        0.000000       35.55498 
1 1 1 20  30 20 o 88.25746 36.95173 238.5917       321.0270 238.5917       321.0270 0.000000       0.000000 88.25746 36.95173 ?        ?        0.000000       36.95173 
1 1 1 20  30 21 o 97.78223 37.40858 373.6163       299.4043 373.6163       299.4043 0.000000       0.000000 97.78223 37.40858 ?        ?        0.000000       37.40858 
1 1 1 20  30 22 o 136.2957 35.54989 743.6188       287.0802 743.6188       287.0802 0.000000       0.000000 136.2957 35.54989 ?        ?        0.000000       35.54989 
1 1 1 20  30 23 o 85.01284 35.53756 231.1958       296.2259 231.1958       296.2259 0.000000       0.000000 85.01284 35.53756 ?        ?        0.000000       35.53756 
1 1 1 20  30 24 o 66.66780 31.30763 -106.3831      311.1864 -106.3831      311.1864 0.000000       0.000000 66.66780 31.30763 ?        ?        0.000000       31.30763 
1 1 1 20  30 25 o 80.84114 35.52063 161.9815       324.6930 161.9815       324.6930 0.000000       0.000000 80.84114 35.52063 ?        ?        0.000000       35.52063 
1 1 1 20  30 26 o 75.20817 33.97152 73.85986       319.0094 73.85986       319.0094 0.000000       0.000000 75.20817 33.97152 ?        ?        0.000000       33.97152 
1 1 1 20  30 27 o 61.48159 29.68028 -248.6416      322.2504 -248.6416      322.2504 0.000000       0.000000 61.48159 29.68028 ?        ?        0.000000       29.68028 
1 1 1 20  30 28 o 58.68869 28.72644 -363.5747      331.4430 -363.5747      331.4430 0.000000       0.000000 58.68869 28.72644 ?        ?        0.000000       28.72644 
1 1 1 20  30 29 o 67.45747 31.35994 -35.64944      299.5481 -35.64944      299.5481 0.000000       0.000000 67.45747 31.35994 ?        ?        0.000000       31.35994 
1 1 1 20  31 0  o 73.01936 24.33885 166.8018       122.1198 397.5280       441.5352 147.6900       127.0770 109.3589 44.29408 70.35683 24.78362 39.00210       50.75621 
1 1 1 20  31 1  o 188.8059 12.32545 1074.214       135.7339 1074.645       437.5888 1074.168       142.7762 164.5554 44.34692 188.5219 12.99295 -23.96651      46.21110 
1 1 1 20  31 2  o 61.05994 24.14579 80.14316       128.0207 -6.568712      426.6563 88.72256       134.2046 86.43009 39.13979 62.96302 24.77653 23.46707       46.32277 
1 1 1 20  31 3  o 41.71639 19.42561 -90.95860      115.6904 -223.7999      421.4372 -80.13210      120.3124 77.13561 36.28929 43.55556 20.11765 33.58005       41.49256 
1 1 1 20  31 4  o 118.2495 17.64887 438.3607       118.6546 -656.1898      430.7492 528.2333       123.4298 65.30967 32.12473 130.5004 16.49499 -65.19077      36.11209 
1 1 1 20  31 5  o 56.67066 22.77447 60.68488       115.7242 203.3747       406.7455 48.11718       120.7130 95.26778 40.80772 55.91894 22.96592 39.34885       46.82631 
1 1 1 20  31 6  f 94.36163 21.03148 289.6769       113.4151 140.7356       393.3955 303.1785       118.4441 90.71888 39.49551 96.39868 21.49818 -5.679802      44.96741 
1 1 1 20  31 7  o 147.6362 12.83306 661.4299       110.0125 1288.915       358.9415 596.3748       115.5747 191.2111 33.21254 139.5556 14.32407 51.65546       36.16976 
1 1 1 20  31 8  o 98.63405 18.57240 310.4688       103.4941 970.8641       352.2682 248.0822       108.2722 160.7015 37.98167 86.99540 21.37670 73.70614       43.58406 
1 1 1 20  31 9  f 39.51196 18.05229 -51.19465      93.31271 -401.2379      345.2343 -23.60655      96.92014 62.72598 30.38697 43.05478 19.13825 19.67120       35.91156 
1 1 1 20  31 10 o 169.3411 11.83175 866.0542       116.7673 910.4822       360.7215 860.8539       123.4120 152.7679 39.85104 168.5136 12.57813 -15.74573      41.78893 
1 1 1 20  31 11 o 208.6572 30.47061 1509.874       361.8795 1509.874       361.8795 0.000000       0.000000 208.6572 30.47061 ?        ?        0.000000       30.47061 
1 1 1 20  31 12 o 78.53823 20.85262 202.6223       97.64702 -10.30950      336.8096 222.1621       102.0290 76.99924 34.83139 82.14028 21.07672 -5.141045      40.71184 
1 1 1 20  31 13 o 65.19654 21.64068 133.3243       96.56658 598.6036       346.2070 94.07150       100.5575 121.1963 40.98600 58.85039 21.85984 62.34595       46.45110 
1 1 1 20  31 14 o 63.54527 20.32657 128.1289       85.59716 -345.6712      342.8627 159.6225       88.39622 63.39040 30.60498 69.93452 20.33786 -6.544128      36.74634 
1 1 1 20  31 15 f 48.88656 22.60850 -86.89236      152.6526 218.2673       334.5894 -167.1101      171.5473 88.83862 37.49081 47.49961 22.58422 41.33901       43.76765 
1 1 1 20  31 16 o 70.52052 32.77626 -96.57330      326.9211 -96.57330      326.9211 0.000000       0.000000 70.52052 32.77626 ?        ?        0.000000       32.77626 
1 1 1 20  31 17 o 74.32314 33.87398 -8.063904      325.9779 -8.063904      325.9779 0.000000       0.000000 74.32314 33.87398 ?        ?        0.000000       33.87398 
1 1 1 20  31 18 o 106.4066 40.45804 472.9847       348.8319 472.9847       348.8319 0.000000       0.000000 106.4066 40.45804 ?        ?        0.000000       40.45804 
1 1 1 20  31 19 o 83.27412 36.40812 156.7383       337.3487 156.7383       337.3487 0.000000       0.000000 83.27412 36.40812 ?        ?        0.000000       36.40812 
1 1 1 20  31 20 o 164.5898 35.97261 1071.078       337.5183 1071.078       337.5183 0.000000       0.000000 164.5898 35.97261 ?        ?        0.000000       35.97261 
1 1 1 20  31 21 o 101.5385 38.07656 432.4782       306.5403 432.4782       306.5403 0.000000       0.000000 101.5385 38.07656 ?        ?        0.000000       38.07656 
1 1 1 20  31 22 o 66.14915 31.00143 -102.5958      302.5018 -102.5958      302.5018 0.000000       0.000000 66.14915 31.00143 ?        ?        0.000000       31.00143 
1 1 1 20  31 23 o 75.18414 33.74181 78.38417       308.9839 78.38417       308.9839 0.000000       0.000000 75.18414 33.74181 ?        ?        0.000000       33.74181 
1 1 1 20  31 24 o 69.31535 32.03999 -27.99170      306.0142 -27.99170      306.0142 0.000000       0.000000 69.31535 32.03999 ?        ?        0.000000       32.03999 
1 1 1 20  31 25 o 68.74947 32.11304 -57.11222      320.1204 -57.11222      320.1204 0.000000       0.000000 68.74947 32.11304 ?        ?        0.000000       32.11304 
1 1 1 20  31 26 o 81.08448 36.10432 171.4820       346.4295 171.4820       346.4295 0.000000       0.000000 81.08448 36.10432 ?        ?        0.000000       36.10432 
1 1 1 20  31 27 o 93.68755 38.19370 379.2939       330.7984 379.2939       330.7984 0.000000       0.000000 93.68755 38.19370 ?        ?        0.000000       38.19370 
1 1 1 20  31 28 o 105.8974 40.75525 559.5084       356.8172 559.5084       356.8172 0.000000       0.000000 105.8974 40.75525 ?        ?        0.000000       40.75525 
1 1 1 20  32 0  o 121.2299 18.91749 466.7881       130.1103 598.3027       423.6048 453.0884       136.7192 121.0061 44.88155 118.7057 20.37180 2.300392       49.28857 
1 1 1 20  32 1  o 261.0623 10.70635 2042.232       163.5738 1609.864       413.1337 2122.613       178.1309 212.0500 34.39772 265.7484 11.45616 -53.69841      36.25529 
1 1 1 20  32 2  o 140.4250 15.62017 609.6275       126.4669 737.7836       399.6376 595.3652       133.3184 133.3869 44.01462 138.2138 16.79110 -4.826889      47.10868 
1 1 1 20  32 3  o 47.93093 21.40344 -30.46256      122.6607 16.72637       399.2100 -35.38200      128.8959 83.94342 37.95180 48.73712 21.83908 35.20630       43.78680 
1 1 1 20  32 4  o 46.43013 20.76843 -31.81362      116.0113 75.44763       392.3723 -42.08846      121.4407 86.19383 38.39880 46.64738 21.02545 39.54645       43.77827 
1 1 1 20  32 5  o 52.50909 22.27976 22.91590       119.2297 -199.3179      388.0794 46.07898       125.2892 73.76497 34.74069 56.12676 23.25799 17.63821       41.80729 
1 1 1 20  32 6  o 52.25639 21.66698 37.00581       108.8238 -559.8637      360.8897 96.70657       114.1366 59.71835 29.38037 61.02129 23.15627 -1.302933      37.40881 
1 1 1 20  32 7  f 57.53331 21.86963 83.75553       101.9105 -387.9107      356.8161 125.6483       106.3400 64.06241 31.00036 64.66973 22.68020 -0.6073227     38.41112 
1 1 1 20  32 8  o 82.06595 21.71302 222.6978       106.1068 353.6501       369.2538 210.9115       110.7790 101.1892 40.67597 79.74991 22.63654 21.43928       46.55049 
1 1 1 20  32 9  f 157.0359 12.57829 749.4912       114.8754 1095.885       378.6748 714.3821       120.5566 167.8825 39.17842 152.8444 13.59059 15.03807       41.46869 
1 1 1 20  32 10 o 62.15064 22.31702 112.8764       103.4995 -12.55929      342.8261 125.4557       108.5652 76.95085 34.94126 64.63789 22.89495 12.31297       41.77404 
1 1 1 20  32 11 o 87.24789 20.63463 251.0614       103.9176 624.8134       348.4631 214.5778       108.8714 122.7302 41.11750 80.18529 22.32894 42.54487       46.78921 
1 1 1 20  32 12 o 50.61752 21.28776 28.33850       107.2845 203.1911       336.9589 8.613721       113.1741 88.04167 37.40940 49.49989 21.36793 38.54179       43.08192 
1 1 1 20  32 13 o 106.6070 17.54788 363.1203       105.8997 586.7958       339.0309 338.9370       111.4777 118.0881 40.54678 102.0626 19.33145 16.02553       44.91933 
1 1 1 20  32 14 o 132.1749 13.36039 537.7712       102.1459 493.4358       336.8982 542.2595       107.1916 108.9882 40.09638 132.4215 14.01474 -23.43333      42.47509 
1 1 1 20  32 15 o 71.88517 33.72272 -123.4175      359.4378 -123.4175      359.4378 0.000000       0.000000 71.88517 33.72272 ?        ?        0.000000       33.72272 
1 1 1 20  32 16 o 65.10867 31.26996 -271.2393      347.0207 -271.2393      347.0207 0.000000       0.000000 65.10867 31.26996 ?        ?        0.000000       31.26996 
1 1 1 20  32 17 o 121.9132 40.13421 646.6875       332.3470 646.6875       332.3470 0.000000       0.000000 121.9132 40.13421 ?        ?        0.000000       40.13421 
1 1 1 20  32 18 f 109.1187 38.78748 509.0219       311.8409 509.0219       311.8409 0.000000       0.000000 109.1187 38.78748 ?        ?        0.000000       38.78748 
1 1 1 20  32 19 o 82.16645 36.03632 161.0139       332.7932 161.0139       332.7932 0.000000       0.000000 82.16645 36.03632 ?        ?        0.000000       36.03632 
1 1 1 20  32 20 o 78.73727 35.07292 113.1175       327.2492 113.1175       327.2492 0.000000       0.000000 78.73727 35.07292 ?        ?        0.000000       35.07292 
1 1 1 20  32 21 o 187.4828 31.22773 1321.863       331.2903 1321.863       331.2903 0.000000       0.000000 187.4828 31.22773 ?        ?        0.000000       31.22773 
1 1 1 20  32 22 o 75.75510 34.29062 71.50301       327.0571 71.50301       327.0571 0.000000       0.000000 75.75510 34.29062 ?        ?        0.000000       34.29062 
1 1 1 20  32 23 o 64.01127 30.62030 -191.3541      325.4645 -191.3541      325.4645 0.000000       0.000000 64.01127 30.62030 ?        ?        0.000000       30.62030 
1 1 1 20  32 24 o 91.37827 37.95005 343.3177       334.6183 343.3177       334.6183 0.000000       0.000000 91.37827 37.95005 ?        ?        0.000000       37.95005 
1 1 1 20  32 25 o 67.43964 32.23440 -157.4271      359.1293 -157.4271      359.1293 0.000000       0.000000 67.43964 32.23440 ?        ?        0.000000       32.23440 
1 1 1 20  32 26 o 97.43976 39.57418 439.8820       353.5610 439.8820       353.5610 0.000000       0.000000 97.43976 39.57418 ?        ?        0.000000       39.57418 
1 1 1 20  33 0  o 75.99614 24.63960 189.6183       125.4923 77.46074       396.3850 202.1122       132.2975 85.61213 38.33513 78.14254 25.29593 7.469589       45.92893 
1 1 1 20  33 1  o 108.4502 20.44193 382.3300       125.2503 69.38216       389.3878 418.4458       132.2803 84.75650 37.97038 113.4737 20.63691 -28.71724      43.21610 
1 1 1 20  33 2  o 59.39880 23.88062 72.89437       127.2942 135.0447       384.4786 65.24300       134.9025 87.80793 38.61481 59.55261 24.34770 28.25532       45.64991 
1 1 1 20  33 3  o 34.15342 16.84890 -244.0376      121.4409 20.47657       379.0988 -274.2856      128.1965 81.57506 36.92226 34.35637 17.01484 47.21869       40.65413 
1 1 1 20  33 4  o 181.8683 12.28474 1002.932       130.2620 1121.825       387.0989 987.7499       138.3293 168.8011 39.76118 180.0297 13.19307 -11.22855      41.89283 
1 1 1 20  33 5  o 57.29193 22.79399 70.75337       114.7446 -484.5144      373.1340 128.7471       120.5880 62.53558 30.58188 66.11736 24.04180 -3.581787      38.90064 
1 1 1 20  33 6  o 117.5735 17.61645 438.3890       117.7366 568.0195       380.8167 424.6887       123.8020 116.5230 42.66934 114.9981 19.02071 1.524834       46.71680 
1 1 1 20  33 7  o 115.6648 17.49327 424.5171       114.9622 36.55166       375.3020 464.6899       120.7676 81.42208 36.80619 121.0945 17.51294 -39.67245      40.76026 
1 1 1 20  33 8  o 177.1840 12.36647 954.4717       127.6986 1270.409       392.0963 916.9845       135.0622 180.6411 38.20578 173.1185 13.40712 7.522537       40.48990 
1 1 1 20  33 9  o 146.5876 15.21229 667.6220       128.8811 333.0859       355.2459 718.3273       138.3038 97.16965 39.59242 151.7930 15.76507 -54.62339      42.61569 
1 1 1 20  33 10 o 89.15201 21.73728 266.6500       112.6135 1012.954       333.7202 170.7464       119.6305 162.0112 36.05174 72.15935 24.09036 89.85181       43.35981 
1 1 1 20  33 11 o 138.5588 14.55240 595.7776       116.4921 1049.583       322.5457 527.7037       124.9243 166.7855 34.12595 129.1033 16.90476 37.68221       38.08348 
1 1 1 20  33 12 o 120.4146 16.54739 459.0037       113.7712 463.4242       305.5956 458.2924       122.5830 106.5414 38.33649 119.5172 18.05040 -12.97588      42.37338 
1 1 1 20  33 13 o 36.60259 17.39338 -108.4763      101.4680 146.8443       322.2767 -136.5709      106.9050 82.14745 35.75596 36.08292 17.33649 46.06453       39.73717 
1 1 1 20  33 14 o 52.37996 22.91698 4.896486       133.8642 889.1157       388.9755 -113.8964      142.5730 140.1328 43.12261 44.91215 21.12248 95.22066       48.01790 
1 1 1 20  33 15 o 67.12209 32.32398 -278.8971      376.6423 -278.8971      376.6423 0.000000       0.000000 67.12209 32.32398 ?        ?        0.000000       32.32398 
1 1 1 20  33 16 o 77.67568 35.34733 48.13316       353.2230 48.13316       353.2230 0.000000       0.000000 77.67568 35.34733 ?        ?        0.000000       35.34733 
1 1 1 20  33 17 o 87.83821 37.69310 247.6834       348.1848 247.6834       348.1848 0.000000       0.000000 87.83821 37.69310 ?        ?        0.000000       37.69310 
1 1 1 20  33 18 o 112.5680 39.79518 571.9893       327.8682 571.9893       327.8682 0.000000       0.000000 112.5680 39.79518 ?        ?        0.000000       39.79518 
1 1 1 20  33 19 o 80.33340 35.08179 164.9961       312.4297 164.9961       312.4297 0.000000       0.000000 80.33340 35.08179 ?        ?        0.000000       35.08179 
1 1 1 20  33 20 o 97.94129 39.48970 419.7891       349.1696 419.7891       349.1696 0.000000       0.000000 97.94129 39.48970 ?        ?        0.000000       39.48970 
1 1 1 20  33 21 o 71.10555 33.17629 -41.24680      340.1148 -41.24680      340.1148 0.000000       0.000000 71.10555 33.17629 ?        ?        0.000000       33.17629 
1 1 1 20  33 22 o 111.5520 41.03150 608.3644       352.7671 608.3644       352.7671 0.000000       0.000000 111.5520 41.03150 ?        ?        0.000000       41.03150 
1 1 1 20  33 23 o 83.20757 36.74969 212.4653       351.7693 212.4653       351.7693 0.000000       0.000000 83.20757 36.74969 ?        ?        0.000000       36.74969 
1 1 1 20  33 24 o 107.2951 41.52895 581.8209       372.0242 581.8209       372.0242 0.000000       0.000000 107.2951 41.52895 ?        ?        0.000000       41.52895 
1 1 1 20  33 25 o 68.88763 32.84976 -122.1588      368.4175 -122.1588      368.4175 0.000000       0.000000 68.88763 32.84976 ?        ?        0.000000       32.84976 
1 1 1 20  34 0  o 44.33358 20.62929 -89.84370      130.0982 28.94651       419.8214 -102.4632      136.8342 83.43236 38.18370 44.81897 20.95476 38.61338       43.55568 
1 1 1 20  34 1  o 50.59523 22.24184 -6.116655      127.4501 -524.9385      393.1122 54.82249       134.7273 62.85829 30.87310 57.96708 24.07786 4.891209       39.15216 
1 1 1 20  34 2  o 96.95991 23.30342 318.7752       130.8656 53.84943       394.6306 351.5085       138.7148 82.85394 37.56888 101.7066 23.69678 -18.85262      44.41800 
1 1 1 20  34 3  o 60.27711 23.93453 84.55997       126.2757 61.92004       389.2260 87.22321       133.4964 82.77790 37.44476 61.49098 24.54589 21.28692       44.77288 
1 1 1 20  34 4  o 86.66872 23.40972 255.7891       121.7698 108.5410       376.0909 273.0332       128.7026 84.10160 37.52192 89.26916 24.04741 -5.167557      44.56649 
1 1 1 20  34 5  f 128.6398 17.11009 524.4130       125.8877 313.5184       386.4015 549.4559       133.1524 95.93237 40.37589 131.3650 17.73565 -35.43265      44.09950 
1 1 1 20  34 6  o 62.03195 23.66911 104.8378       119.6558 -29.25622      390.2903 118.7492       125.7094 78.21642 36.16481 64.55808 24.34613 13.65834       43.59618 
1 1 1 20  34 7  o 71.04745 24.28186 164.6270       121.5534 114.0073       384.9026 170.2346       128.1094 84.21765 37.73834 72.17768 24.91891 12.03997       45.22316 
1 1 1 20  34 8  o 65.30730 24.51480 124.0657       127.1340 310.2709       332.8733 92.26525       137.5624 93.56336 38.24867 62.26826 24.89652 31.29510       45.63768 
1 1 1 20  34 9  o 115.5303 19.92570 437.1517       130.1326 -39.24527      319.6089 531.8241       142.4774 71.80021 33.02831 127.8427 19.62929 -56.04246      38.42107 
1 1 1 20  34 10 o 104.1418 20.94940 360.9630       123.5146 363.9172       323.6523 360.4594       133.6281 97.13191 38.39773 103.0407 22.72417 -5.908806      44.61808 
1 1 1 20  34 11 o 124.1937 17.81530 495.0302       126.0502 156.8577       328.1272 553.5742       136.5257 82.56327 36.00581 131.1754 18.23915 -48.61211      40.36193 
1 1 1 20  34 12 o 112.0375 20.35854 415.3309       128.8447 309.9707       344.4384 432.4725       138.9311 92.71514 38.50386 113.5676 21.64908 -20.85244      44.17273 
1 1 1 20  34 13 o 113.4951 43.05319 605.3534       394.4597 605.3534       394.4597 0.000000       0.000000 113.4951 43.05319 ?        ?        0.000000       43.05319 
1 1 1 20  34 14 o 156.2130 40.15139 1052.673       369.8400 1052.673       369.8400 0.000000       0.000000 156.2130 40.15139 ?        ?        0.000000       40.15139 
1 1 1 20  34 15 o 79.15559 35.35644 113.9050       334.9577 113.9050       334.9577 0.000000       0.000000 79.15559 35.35644 ?        ?        0.000000       35.35644 
1 1 1 20  34 16 o 72.20509 33.79264 -61.11483      357.3331 -61.11483      357.3331 0.000000       0.000000 72.20509 33.79264 ?        ?        0.000000       33.79264 
1 1 1 20  34 17 o 70.87523 33.29102 -75.19356      352.2102 -75.19356      352.2102 0.000000       0.000000 70.87523 33.29102 ?        ?        0.000000       33.29102 
1 1 1 20  34 18 o 65.20873 31.17169 -186.0675      336.0480 -186.0675      336.0480 0.000000       0.000000 65.20873 31.17169 ?        ?        0.000000       31.17169 
1 1 1 20  34 19 o 100.0782 38.85227 449.3890       326.3550 449.3890       326.3550 0.000000       0.000000 100.0782 38.85227 ?        ?        0.000000       38.85227 
1 1 1 20  34 20 o 71.96946 33.73250 -39.37201      358.2970 -39.37201      358.2970 0.000000       0.000000 71.96946 33.73250 ?        ?        0.000000       33.73250 
1 1 1 20  34 21 o 90.54531 39.19482 333.8731       382.8869 333.8731       382.8869 0.000000       0.000000 90.54531 39.19482 ?        ?        0.000000       39.19482 
1 1 1 20  34 22 o 119.7915 43.31758 758.2911       390.7513 758.2911       390.7513 0.000000       0.000000 119.7915 43.31758 ?        ?        0.000000       43.31758 
1 1 1 20  34 23 o 64.77271 31.57955 -306.8776      389.2171 -306.8776      389.2171 0.000000       0.000000 64.77271 31.57955 ?        ?        0.000000       31.57955 
1 1 1 20  35 0  o 161.6794 16.30713 822.9368       152.5154 283.6310       419.7678 904.9587       163.7029 93.65453 40.78540 169.3287 16.70171 -75.67414      44.07262 
1 1 1 20  35 1  o 101.0206 26.12720 361.2650       155.9426 0.000000       0.000000 361.2650       155.9426 ?        ?        101.0206 26.12720 0.000000       26.12720 
1 1 1 20  35 2  o 117.3310 20.91188 456.0209       138.6211 683.8723       444.3752 431.4585       145.9016 118.5939 45.52272 112.8526 22.82947 5.741295       50.92645 
1 1 1 20  35 3  o 84.77694 25.05643 250.7283       133.2421 -45.29729      412.7290 285.1698       140.7800 78.31556 36.54242 90.04405 25.50477 -11.72849      44.56279 
1 1 1 20  35 4  o 77.05302 25.06678 202.8767       129.8203 251.8624       422.8395 197.7787       136.4084 92.02827 40.48221 76.33150 25.72704 15.69677       47.96551 
1 1 1 20  35 5  o 106.6876 22.57400 385.8949       136.8315 734.1958       435.2340 347.6935       144.1401 122.5381 45.48525 99.84841 24.74174 22.68965       51.77897 
1 1 1 20  35 6  o 75.88264 25.72762 195.3006       136.4205 -47.14382      418.3830 224.1436       144.3073 78.40199 36.65141 80.28925 26.44688 -1.887260      45.19694 
1 1 1 20  35 7  o 75.34556 25.73960 192.2247       136.5831 278.3524       390.7934 180.2401       145.7764 91.97419 39.70485 73.90645 26.49201 18.06774       47.73156 
1 1 1 20  35 8  o 135.8155 18.78645 597.4527       145.6362 45.94902       370.2159 698.4225       158.4078 78.80994 35.98802 146.9645 18.80925 -68.15453      40.60697 
1 1 1 20  35 9  o 116.6736 19.93925 448.6267       131.5396 526.6387       337.1178 434.6166       142.8637 109.2319 40.12238 113.2920 22.29597 -4.060097      45.90115 
1 1 1 20  35 10 o 61.40470 24.41157 94.79216       131.5107 76.52150       338.0877 98.04954       142.7533 77.83825 35.08305 62.98783 25.30109 14.85042       43.25466 
1 1 1 20  35 11 o 57.60292 24.08025 57.94392       136.0159 58.61856       322.5630 57.79802       150.0041 75.56689 34.14436 59.39431 25.08578 16.17259       42.36902 
1 1 1 20  35 12 o 129.7425 20.02681 556.2504       147.4861 -101.5210      355.7303 692.7869       162.0720 70.60026 33.25363 145.4111 19.49540 -74.81081      38.54704 
1 1 1 20  35 13 o 78.22484 27.08649 215.5607       151.4111 160.7128       352.6710 227.9548       167.6480 82.18621 36.52139 80.04418 28.44097 2.142029       46.28932 
1 1 1 20  35 14 o 70.48882 33.13477 -81.08411      350.0744 -81.08411      350.0744 0.000000       0.000000 70.48882 33.13477 ?        ?        0.000000       33.13477 
1 1 1 20  35 15 o 102.3701 40.58321 488.5251       362.4938 488.5251       362.4938 0.000000       0.000000 102.3701 40.58321 ?        ?        0.000000       40.58321 
1 1 1 20  35 16 o 82.81993 36.53365 193.6649       346.6338 193.6649       346.6338 0.000000       0.000000 82.81993 36.53365 ?        ?        0.000000       36.53365 
1 1 1 20  35 17 o 74.92511 35.02491 -8.680152      382.0231 -8.680152      382.0231 0.000000       0.000000 74.92511 35.02491 ?        ?        0.000000       35.02491 
1 1 1 20  35 18 o 77.66077 35.32846 102.2556       352.4684 102.2556       352.4684 0.000000       0.000000 77.66077 35.32846 ?        ?        0.000000       35.32846 
1 1 1 20  35 19 o 53.27457 26.73234 -717.6208      363.8474 -717.6208      363.8474 0.000000       0.000000 53.27457 26.73234 ?        ?        0.000000       26.73234 
1 1 1 20  35 20 o 77.96201 35.85323 95.29256       376.2707 95.29256       376.2707 0.000000       0.000000 77.96201 35.85323 ?        ?        0.000000       35.85323 
1 1 1 20  35 21 o 66.70407 32.57447 -312.2912      419.0003 -312.2912      419.0003 0.000000       0.000000 66.70407 32.57447 ?        ?        0.000000       32.57447 
1 1 1 20  35 22 o 71.38268 34.18736 -111.7459      408.3596 -111.7459      408.3596 0.000000       0.000000 71.38268 34.18736 ?        ?        0.000000       34.18736 
1 1 1 20  36 0  o 63.72595 26.30310 89.07561       159.3846 -114.2370      397.7691 127.9626       173.9607 73.69650 34.84858 69.09839 27.86881 4.598114       44.62168 
1 1 1 20  36 1  o 75.07301 26.63431 190.7186       146.9758 245.0739       434.1601 183.6831       156.1984 90.56011 40.36482 74.45151 27.31681 16.10860       48.73938 
1 1 1 20  36 2  o 108.9397 23.47755 409.4590       145.5728 362.5319       428.0875 415.5950       154.7978 96.40752 41.58712 108.8455 24.80403 -12.43793      48.42239 
1 1 1 20  36 3  o 60.77186 25.29894 71.58768       149.2117 0.000000       0.000000 71.58768       149.2117 ?        ?        60.77186 25.29894 0.000000       25.29894 
1 1 1 20  36 4  o 56.14668 23.94822 39.31068       139.0115 405.3819       448.8664 0.4758193      146.1992 98.84311 42.61072 53.63087 23.68904 45.21224       48.75288 
1 1 1 20  36 5  f 48.90106 22.24531 -44.34121      139.7459 -279.6582      451.3790 -19.39477      146.9667 72.08167 34.87761 52.06887 23.32683 20.01280       41.95937 
1 1 1 20  36 6  o 57.38209 24.57623 40.99865       147.4904 524.7388       408.2897 -31.60022      158.1712 105.6848 42.67005 52.83431 23.88775 52.85046       48.90151 
1 1 1 20  36 7  o 178.0664 15.16222 994.4131       156.8371 823.1641       394.9778 1026.468       170.8866 129.5607 43.77793 179.9814 16.36823 -50.42065      46.73785 
1 1 1 20  36 8  o 93.51962 26.41680 317.5512       151.2393 465.9286       367.0981 287.2182       165.9800 101.7698 40.67719 88.16991 28.31519 13.59988       49.56192 
1 1 1 20  36 9  o 134.1958 19.27040 591.3365       147.3183 330.8473       386.1991 635.6946       159.3687 92.59092 39.71438 138.4922 20.21717 -45.90124      44.56418 
1 1 1 20  36 10 o 132.0026 20.99146 583.8194       157.0728 535.8731       374.6991 594.0411       173.0077 106.1718 41.51270 131.3386 23.31458 -25.16679      47.61169 
1 1 1 20  36 11 o 87.37753 27.28337 281.4437       155.0624 545.7355       368.9362 224.7403       170.8889 106.6105 41.33101 79.29943 28.65037 27.31103       50.29012 
1 1 1 20  36 12 o 92.07114 25.82677 308.6761       145.0844 487.6420       356.3184 273.1079       158.8488 102.1562 40.31853 85.83347 27.71268 16.32274       48.92420 
1 1 1 20  36 13 o 58.64257 28.54365 -314.7809      314.3445 -314.7809      314.3445 0.000000       0.000000 58.64257 28.54365 ?        ?        0.000000       28.54365 
1 1 1 20  36 14 o 90.14987 38.10972 321.7274       346.7004 321.7274       346.7004 0.000000       0.000000 90.14987 38.10972 ?        ?        0.000000       38.10972 
1 1 1 20  36 15 o 76.63702 35.28533 63.58001       365.9464 63.58001       365.9464 0.000000       0.000000 76.63702 35.28533 ?        ?        0.000000       35.28533 
1 1 1 20  36 16 f 84.58377 38.09671 216.3440       397.8699 216.3440       397.8699 0.000000       0.000000 84.58377 38.09671 ?        ?        0.000000       38.09671 
1 1 1 20  36 17 o 65.66533 32.08527 -323.7393      408.1763 -323.7393      408.1763 0.000000       0.000000 65.66533 32.08527 ?        ?        0.000000       32.08527 
1 1 1 20  36 18 o 60.67151 30.29925 -658.7751      442.1999 -658.7751      442.1999 0.000000       0.000000 60.67151 30.29925 ?        ?        0.000000       30.29925 
1 1 1 20  36 19 o 57.48718 28.73941 -662.0563      402.5594 -662.0563      402.5594 0.000000       0.000000 57.48718 28.73941 ?        ?        0.000000       28.73941 
1 1 1 20  36 20 o 80.53999 37.24595 138.5392       414.2530 138.5392       414.2530 0.000000       0.000000 80.53999 37.24595 ?        ?        0.000000       37.24595 
1 1 1 20  37 0  o 58.14744 28.98135 -648.4709      396.0458 -648.4709      396.0458 0.000000       0.000000 58.14744 28.98135 ?        ?        0.000000       28.98135 
1 1 1 20  37 1  o 70.02842 26.48592 156.8046       149.0253 359.4333       408.9655 125.7789       160.0282 93.97766 40.59381 67.10870 26.84563 26.86897       48.66771 
1 1 1 20  37 2  o 45.35912 21.44852 -122.5195      150.6707 -388.2938      409.0450 -80.79861      162.0659 65.17759 31.90469 49.80736 23.12464 15.37023       39.40378 
1 1 1 20  37 3  f 160.3050 16.83157 822.2491       155.8847 368.4120       417.9716 895.5753       168.0065 94.45232 40.91850 166.8689 17.42367 -72.41663      44.47368 
1 1 1 20  37 4  o 60.97206 25.11017 83.07352       144.8237 420.8889       415.6519 36.39596       154.5056 97.34286 41.46167 57.53850 24.90253 39.80436       48.36535 
1 1 1 20  37 5  o 69.31880 26.53717 150.8768       150.7365 -238.2365      413.7281 210.4340       161.8617 69.55061 33.58905 77.30489 27.88955 -7.754272      43.65835 
1 1 1 20  37 6  o 66.86084 26.37368 129.9720       152.3889 203.9930       403.3026 117.6437       164.5907 85.43796 38.42943 66.47362 26.99984 18.96434       46.96608 
1 1 1 20  37 7  o 103.8113 26.49257 395.0013       161.8086 531.3668       412.9608 370.2682       175.8714 103.4773 42.48571 98.74075 28.67893 4.736542       51.25931 
1 1 1 20  37 8  o 144.2876 20.47919 695.8916       168.4351 190.4621       401.3805 803.9199       185.5644 84.29181 38.08726 154.7499 20.98663 -70.45807      43.48653 
1 1 1 20  37 9  o 67.59484 26.35547 138.8951       150.6867 859.1583       402.9564 21.79802       162.4745 128.4833 44.20122 57.09264 25.10490 71.39069       50.83310 
1 1 1 20  37 10 o 47.56188 22.41563 -114.6721      162.0731 -365.0061      383.6227 -60.28203      178.8152 63.23280 30.94103 53.38353 24.61009 9.849270       39.53485 
1 1 1 20  37 11 o 54.79668 24.05269 17.68290       148.5392 -62.66999      359.6056 34.21307       163.1039 71.00065 33.43976 58.13945 25.36944 12.86120       41.97411 
1 1 1 20  37 12 o 81.33366 36.88483 156.6455       380.5569 156.6455       380.5569 0.000000       0.000000 81.33366 36.88483 ?        ?        0.000000       36.88483 
1 1 1 20  37 13 o 82.83881 37.25241 196.8337       378.7491 196.8337       378.7491 0.000000       0.000000 82.83881 37.25241 ?        ?        0.000000       37.25241 
1 1 1 20  37 14 o 79.45454 36.47644 124.2437       387.1490 124.2437       387.1490 0.000000       0.000000 79.45454 36.47644 ?        ?        0.000000       36.47644 
1 1 1 20  37 15 o 63.61246 31.37484 -435.1836      420.2843 -435.1836      420.2843 0.000000       0.000000 63.61246 31.37484 ?        ?        0.000000       31.37484 
1 1 1 20  37 16 o 74.36353 35.65495 -89.22154      446.9320 -89.22154      446.9320 0.000000       0.000000 74.36353 35.65495 ?        ?        0.000000       35.65495 
1 1 1 20  37 17 o 70.51545 34.11925 -188.3583      431.9217 -188.3583      431.9217 0.000000       0.000000 70.51545 34.11925 ?        ?        0.000000       34.11925 
1 1 1 20  37 18 o 135.9206 45.04453 1019.716       418.4215 1019.716       418.4215 0.000000       0.000000 135.9206 45.04453 ?        ?        0.000000       45.04453 
1 1 1 20  38 0  o 109.7525 34.24290 510.0509       244.3105 607.7089       420.6061 460.3250       300.1327 106.6896 43.22477 100.5735 37.68443 6.116074       57.34542 
1 1 1 20  38 1  o 54.86415 24.52587 -2.210418      161.5200 -334.2967      442.1693 48.92549       173.5106 68.00513 33.26395 60.48083 26.28155 7.524307       42.39351 
1 1 1 20  38 2  o 61.23592 25.92241 72.89832       160.7766 -177.5196      437.6463 111.9669       172.8639 71.95322 34.69894 66.14638 27.35614 5.806839       44.18569 
1 1 1 20  38 3  o 104.2989 25.83638 397.6789       157.2131 425.2316       432.2355 393.4781       168.7727 95.74326 41.54366 102.3246 27.52595 -6.581314      49.83526 
1 1 1 20  38 4  o 86.06616 27.44130 277.2769       156.1043 -563.8206      408.4877 421.1171       168.9258 60.29482 29.94898 106.4173 27.02141 -46.12249      40.33730 
1 1 1 20  38 5  o 148.6445 18.73126 726.3518       159.6743 226.4712       384.2035 830.7186       175.5534 84.78661 37.86939 158.5822 19.27085 -73.79556      42.49067 
1 1 1 20  38 6  o 86.00597 28.21067 279.5937       164.2650 -265.4113      392.6540 395.2111       180.8512 66.38100 32.21610 101.2645 28.98202 -34.88351      43.33399 
1 1 1 20  38 7  o 68.78233 26.89131 147.7091       157.2224 373.3931       411.5794 109.1502       170.1241 92.77291 40.39377 65.59484 27.13425 27.17807       48.66132 
1 1 1 20  38 8  f 85.00500 28.35514 273.7898       165.7427 -275.0135      399.7675 387.7055       182.1339 66.47000 32.31620 99.91000 29.23264 -33.44000      43.57619 
1 1 1 20  38 9  o 140.4865 20.02224 661.1583       160.3041 913.9667       393.9836 611.0021       175.4870 132.2548 43.70474 131.9799 23.53511 0.2748718      49.63875 
1 1 1 20  38 10 o 73.00571 29.13631 174.4133       188.0578 49.75995       415.7982 206.4695       210.8566 77.56372 36.34945 77.06547 30.81993 0.4982529      47.65659 
1 1 1 20  38 11 o 191.3593 15.94486 1169.913       177.3208 1128.513       420.6440 1178.860       195.5441 146.5045 44.79920 190.2894 17.72571 -43.78488      48.17851 
1 1 1 20  38 12 o 123.1082 44.81743 856.2449       419.2193 856.2449       419.2193 0.000000       0.000000 123.1082 44.81743 ?        ?        0.000000       44.81743 
1 1 1 20  38 13 o 73.44638 35.12218 -77.61333      427.4478 -77.61333      427.4478 0.000000       0.000000 73.44638 35.12218 ?        ?        0.000000       35.12218 
1 1 1 20  38 14 o 77.05383 36.25179 40.99914       420.6168 40.99914       420.6168 0.000000       0.000000 77.05383 36.25179 ?        ?        0.000000       36.25179 
1 1 1 20  38 15 o 95.02238 41.20386 453.1867       424.6246 453.1867       424.6246 0.000000       0.000000 95.02238 41.20386 ?        ?        0.000000       41.20386 
1 1 1 20  39 0  o 76.42487 31.95322 189.6089       239.5478 82.06164       428.3077 238.5632       288.9695 78.96693 36.97003 81.73536 34.68307 -2.768433      50.69219 
1 1 1 20  39 1  o 45.68952 21.76645 -139.3475      160.9475 -570.7731      432.1352 -69.86284      173.4249 61.35602 30.53052 51.58296 23.93950 9.773056       38.79706 
1 1 1 20  39 2  o 47.29746 22.17724 -94.19603      155.1246 222.7425       422.4012 -143.6048      166.7783 84.40364 38.50349 46.40496 22.12124 37.99868       44.40572 
1 1 1 20  39 3  o 78.88129 28.49279 231.6764       169.0022 841.8697       388.7404 89.47209       187.6646 125.3098 43.40084 64.86182 27.74955 60.44798       51.51379 
1 1 1 20  39 4  o 62.78191 26.32598 91.01200       163.3270 -751.9019      344.7106 335.0209       185.4667 50.49802 25.42944 91.77721 29.96838 -41.27918      39.30344 
1 1 1 20  39 5  o 65.66362 26.97838 117.5711       166.6603 109.1963       349.1155 120.0429       189.6674 76.46688 34.92925 67.62385 28.36378 8.843033       44.99508 
1 1 1 20  39 6  o 57.35496 24.00054 67.10000       135.3197 -50.28244      374.6585 84.71003       145.1156 71.15741 33.69929 60.30057 25.01294 10.85684       41.96772 
1 1 1 20  39 7  o 90.91171 28.10652 319.6804       165.0146 -7.111404      368.6374 401.5705       184.5353 72.40254 34.02418 100.8191 29.40401 -28.41656      44.96933 
1 1 1 20  39 8  o 73.48314 28.42382 187.2916       174.1922 159.2732       379.6179 194.7644       196.0503 79.91914 36.47451 75.01358 29.81091 4.905563       47.10711 
1 1 1 20  39 9  o 80.51423 32.36148 242.9116       233.6977 373.6396       422.2043 185.1669       280.6044 90.94659 40.21015 77.47118 33.54451 13.47541       52.36497 
1 1 1 20  39 10 o 50.93236 24.26729 -149.2983      200.1895 189.8953       460.1647 -228.4794      222.3311 83.62424 38.87322 50.44754 24.42606 33.17670       45.91034 
1 1 1 20  39 11 o 104.3932 44.71535 661.5730       488.3484 661.5730       488.3484 0.000000       0.000000 104.3932 44.71535 ?        ?        0.000000       44.71535 
1 1 1 20  39 12 o 73.60664 35.77389 -155.9413      488.7873 -155.9413      488.7873 0.000000       0.000000 73.60664 35.77389 ?        ?        0.000000       35.77389 
1 1 1 20  40 0  o 128.9851 25.96958 613.6133       189.6470 290.5791       422.9566 694.9017       212.1709 86.06770 38.97329 135.6793 27.60426 -49.61164      47.75890 
1 1 1 20  40 1  o 67.05802 26.83401 138.7937       159.9423 -335.9597      415.0349 221.5968       173.3300 64.70583 31.76877 77.07490 28.68617 -12.36907      42.80363 
1 1 1 20  40 2  o 56.06137 24.95247 15.20266       165.3042 -175.5254      415.5722 51.05301       180.1714 69.02232 33.41372 60.56884 26.54106 8.453472       42.67205 
1 1 1 20  40 3  o 90.94651 29.19410 328.7310       176.4577 506.7187       394.5125 284.2174       197.2931 97.96836 40.98658 84.33948 30.73924 13.62888       51.23281 
1 1 1 20  40 4  o 87.72891 28.94136 303.2960       172.7903 233.5025       388.3911 320.5186       192.9353 83.04887 37.50137 88.91985 30.58539 -5.870979      48.39234 
1 1 1 20  40 5  o 76.43208 29.06000 214.6069       179.9648 -12.64962      382.3893 279.2644       203.9656 72.51254 34.25249 83.71931 31.12605 -11.20677      46.28244 
1 1 1 20  40 6  o 47.04486 22.36894 -132.1051      168.3279 -751.2330      402.5699 -0.9244745     185.3045 55.25844 27.78098 57.32813 25.89361 -2.069683      37.97713 
1 1 1 20  40 7  o 80.02110 29.92912 246.3991       189.1344 535.1069       441.0774 181.3545       209.3586 98.18487 42.28239 73.80040 30.27022 24.38447       52.00083 
1 1 1 20  40 8  o 71.18500 29.10610 162.4952       192.8055 22.78789       432.9027 197.0652       215.3428 75.83092 36.00335 75.30943 30.77253 0.5214844      47.36232 
1 1 1 20  41 0  o 66.94357 28.20051 124.2166       188.7688 -238.1611      441.7603 205.1656       208.7909 67.97132 33.24765 75.26423 30.46840 -7.292908      45.09690 
1 1 1 20  41 1  o 43.84098 21.66918 -333.4815      204.2305 151.8519       425.7710 -478.5212      232.7552 79.21796 37.01344 43.52209 21.77211 35.69586       42.94205 
1 1 1 21  0  0  o 607.3089 23.22531 10943.45       824.4696 10943.45       824.4696 10943.45       824.4696 607.3089 23.22531 607.3089 23.22531 0.000000       0.000000 
1 1 1 21  0  1  o 442.8361 21.17702 5825.666       547.1159 5825.666       547.1159 5825.666       547.1159 442.8361 21.17702 442.8361 21.17702 0.000000       0.000000 
1 1 1 21  0  2  o 429.6237 20.47170 5481.167       513.1334 5481.167       513.1334 5481.167       513.1334 429.6237 20.47170 429.6237 20.47170 0.000000       0.000000 
1 1 1 21  0  3  o 92.66534 46.50211 381.8593       310.1342 381.8593       310.1342 381.8593       310.1342 92.66534 46.50211 92.66534 46.50211 0.000000       0.000000 
1 1 1 21  0  4  o 149.6389 40.91209 799.4846       310.3674 799.4846       310.3674 799.4846       310.3674 149.6389 40.91209 149.6389 40.91209 0.000000       0.000000 
1 1 1 21  0  5  o 119.8047 48.68961 601.1337       335.3609 601.1337       335.3609 601.1337       335.3609 119.8047 48.68961 119.8047 48.68961 0.000000       0.000000 
1 1 1 21  0  6  o 594.9721 23.06909 10513.54       802.2129 10513.54       802.2129 10513.54       802.2129 594.9721 23.06909 594.9721 23.06909 0.000000       0.000000 
1 1 1 21  0  7  o 301.3774 25.20377 2745.495       438.0492 2745.495       438.0492 2745.495       438.0492 301.3774 25.20377 301.3774 25.20377 0.000000       0.000000 
1 1 1 21  0  8  o 92.51723 50.04636 375.0665       379.2472 375.0665       379.2472 375.0665       379.2472 92.51723 50.04636 92.51723 50.04636 0.000000       0.000000 
1 1 1 21  0  9  f 382.8087 23.59833 4386.876       525.1389 4386.876       525.1389 4386.876       525.1389 382.8087 23.59833 382.8087 23.59833 0.000000       0.000000 
1 1 1 21  0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  14 o 114.6665 44.38594 540.8901       283.5087 540.8901       283.5087 540.8901       283.5087 114.6665 44.38594 114.6665 44.38594 0.000000       0.000000 
1 1 1 21  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  0  17 o 73.75183 41.55659 224.7448       273.7501 224.7448       273.7501 224.7448       273.7501 73.75183 41.55659 73.75183 41.55659 0.000000       0.000000 
1 1 1 21  0  18 o 203.4645 24.87755 1282.226       285.0077 1282.226       285.0077 1282.226       285.0077 203.4645 24.87755 203.4645 24.87755 0.000000       0.000000 
1 1 1 21  0  19 o 37.46096 26.98622 -515.5074      295.4120 -515.5074      295.4120 -515.5074      295.4120 37.46096 26.98622 37.46096 26.98622 0.000000       0.000000 
1 1 1 21  0  20 o 662.1179 18.69521 12981.98       724.6571 12981.98       724.6571 12981.98       724.6571 662.1179 18.69521 662.1179 18.69521 0.000000       0.000000 
1 1 1 21  0  21 o 49.03170 33.22415 -133.3522      284.2806 -133.3522      284.2806 -133.3522      284.2806 49.03170 33.22415 49.03170 33.22415 0.000000       0.000000 
1 1 1 21  0  22 o 75.55988 41.72125 244.6446       269.2676 244.6446       269.2676 244.6446       269.2676 75.55988 41.72125 75.55988 41.72125 0.000000       0.000000 
1 1 1 21  0  23 o 94.85359 45.37159 405.5833       289.8146 405.5833       289.8146 405.5833       289.8146 94.85359 45.37159 94.85359 45.37159 0.000000       0.000000 
1 1 1 21  0  24 o 53.78571 35.50743 -46.40664      289.1626 -46.40664      289.1626 -46.40664      289.1626 53.78571 35.50743 53.78571 35.50743 0.000000       0.000000 
1 1 1 21  0  25 o 59.72736 39.39275 -44.91844      354.5887 -44.91844      354.5887 -44.91844      354.5887 59.72736 39.39275 59.72736 39.39275 0.000000       0.000000 
1 1 1 21  0  26 o 344.2156 17.90687 3538.775       359.2474 3538.775       359.2474 3538.775       359.2474 344.2156 17.90687 344.2156 17.90687 0.000000       0.000000 
1 1 1 21  0  27 o 66.27548 40.09253 144.9630       286.6089 144.9630       286.6089 144.9630       286.6089 66.27548 40.09253 66.27548 40.09253 0.000000       0.000000 
1 1 1 21  0  28 o 33.31046 24.30310 -644.0094      283.6570 -644.0094      283.6570 -644.0094      283.6570 33.31046 24.30310 33.31046 24.30310 0.000000       0.000000 
1 1 1 21  0  29 o 379.4823 17.02173 4300.060       377.0909 4300.060       377.0909 4300.060       377.0909 379.4823 17.02173 379.4823 17.02173 0.000000       0.000000 
1 1 1 21  0  30 o 66.76291 39.85966 168.2411       275.9642 168.2411       275.9642 168.2411       275.9642 66.76291 39.85966 66.76291 39.85966 0.000000       0.000000 
1 1 1 21  0  31 o 62.56946 38.19723 132.5224       265.2914 132.5224       265.2914 132.5224       265.2914 62.56946 38.19723 62.56946 38.19723 0.000000       0.000000 
1 1 1 21  0  32 o 59.07859 36.40871 111.1321       246.2954 111.1321       246.2954 111.1321       246.2954 59.07859 36.40871 59.07859 36.40871 0.000000       0.000000 
1 1 1 21  0  33 o 276.6780 17.27164 2319.976       277.7262 2319.976       277.7262 2319.976       277.7262 276.6780 17.27164 276.6780 17.27164 0.000000       0.000000 
1 1 1 21  0  34 o 61.11388 35.61658 160.7181       211.1716 160.7181       211.1716 160.7181       211.1716 61.11388 35.61658 61.11388 35.61658 0.000000       0.000000 
1 1 1 21  0  35 o 34.34899 24.30980 -226.7451      201.4846 -226.7451      201.4846 -226.7451      201.4846 34.34899 24.30980 34.34899 24.30980 0.000000       0.000000 
1 1 1 21  0  36 o 102.0967 36.84201 439.3767       202.1749 439.3767       202.1749 439.3767       202.1749 102.0967 36.84201 102.0967 36.84201 0.000000       0.000000 
1 1 1 21  0  37 o 179.3008 20.35402 1016.572       206.9240 1016.572       206.9240 1016.572       206.9240 179.3008 20.35402 179.3008 20.35402 0.000000       0.000000 
1 1 1 21  0  38 f 39.40806 27.25309 -131.4733      214.3025 -131.4733      214.3025 -131.4733      214.3025 39.40806 27.25309 39.40806 27.25309 0.000000       0.000000 
1 1 1 21  0  39 o 74.08105 38.22887 281.0850       213.0273 281.0850       213.0273 281.0850       213.0273 74.08105 38.22887 74.08105 38.22887 0.000000       0.000000 
1 1 1 21  0  40 o 114.8021 40.14119 569.9324       244.5587 569.9324       244.5587 569.9324       244.5587 114.8021 40.14119 114.8021 40.14119 0.000000       0.000000 
1 1 1 21  0  41 o 56.62041 35.37824 118.4293       240.6312 118.4293       240.6312 118.4293       240.6312 56.62041 35.37824 56.62041 35.37824 0.000000       0.000000 
1 1 1 21  0  42 o 190.4234 30.42605 1256.356       313.8263 1256.356       313.8263 1256.356       313.8263 190.4234 30.42605 190.4234 30.42605 0.000000       0.000000 
1 1 1 21  1  0  o 469.1286 14.81001 6499.543       406.9616 6292.310       558.5823 6733.985       594.1217 460.0141 20.75802 475.7279 21.34883 -15.71384      29.77697 
1 1 1 21  1  1  o 467.6701 14.88920 6460.000       407.8569 6429.109       564.3978 6493.763       590.0505 464.9808 20.74890 467.0476 21.60007 -2.066833      29.95129 
1 1 1 21  1  2  o 555.0805 15.51571 9104.072       504.6053 9353.120       715.1483 8857.142       712.1009 560.5741 21.79419 545.2914 22.31418 15.28271       31.19149 
1 1 1 21  1  3  o 267.0570 17.07543 2117.468       266.0388 2337.534       361.8776 1858.646       392.4507 279.4835 22.26161 247.6391 27.48415 31.84435       35.36888 
1 1 1 21  1  4  o 269.7436 16.10304 2157.573       253.5877 2043.497       334.6680 2311.377       388.5990 261.2119 22.05173 277.3686 24.12864 -16.15674      32.68746 
1 1 1 21  1  5  o 433.6872 14.80917 5558.713       376.1148 6001.699       536.4803 5130.518       527.4480 449.1002 20.42199 414.7421 21.76071 34.35809       29.84269 
1 1 1 21  1  6  o 201.0229 22.84398 1219.127       264.5485 1404.294       389.3393 1060.313       360.5710 213.2521 32.12688 183.9775 34.68948 29.27464       47.28103 
1 1 1 21  1  7  o 73.23031 31.42506 -3.136941      242.0198 182.9358       346.0492 -181.2928      338.6075 99.79250 39.62286 76.25394 34.66438 23.53855       52.64590 
1 1 1 21  1  8  o 150.5458 31.90217 711.3345       272.9052 1110.181       383.2225 300.9441       388.7289 187.6815 36.12697 112.4677 42.72164 75.21384       55.94905 
1 1 1 21  1  9  o 352.8980 22.09348 3727.758       454.9664 3727.758       454.9664 0.000000       0.000000 352.8980 22.09348 ?        ?        0.000000       22.09348 
1 1 1 21  1  10 o 150.4351 41.53074 727.7872       378.4284 727.7872       378.4284 0.000000       0.000000 150.4351 41.53074 ?        ?        0.000000       41.53074 
1 1 1 21  1  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  1  13 o 293.1522 19.61141 2570.795       335.2334 2570.795       335.2334 0.000000       0.000000 293.1522 19.61141 ?        ?        0.000000       19.61141 
1 1 1 21  1  14 o 531.1487 16.91160 8380.839       526.1354 0.000000       0.000000 8380.839       526.1354 ?        ?        531.1487 16.91160 0.000000       16.91160 
1 1 1 21  1  15 o 69.92480 29.57728 22.29011       209.0363 152.2005       300.2945 -99.83787      291.1609 92.06762 36.79332 73.59224 32.91119 18.47538       49.36491 
1 1 1 21  1  16 o 275.7913 14.46992 2256.749       233.2251 1967.067       329.1274 2548.917       330.5373 255.3731 22.19572 291.8240 19.42353 -36.45090      29.49447 
1 1 1 21  1  17 o 423.9070 11.82341 5305.411       293.6565 5270.337       404.4833 5344.501       427.0183 421.1833 16.40629 423.8643 17.21368 -2.681000      23.77976 
1 1 1 21  1  18 o 226.7183 16.65816 1533.115       219.9488 1397.514       300.0134 1690.692       323.4120 214.3479 24.29336 236.2013 23.66497 -21.85335      33.91457 
1 1 1 21  1  19 o 49.76966 24.11282 -349.5453      217.5273 -447.5092      336.6119 -279.2996      285.0402 64.52357 30.93862 63.66119 29.91705 0.8623886      43.03752 
1 1 1 21  1  20 o 281.3964 15.03632 2350.907       247.2469 2453.873       358.3474 2257.354       341.5751 285.6923 21.54606 273.9882 21.42740 11.70404       30.38694 
1 1 1 21  1  21 o 243.6594 15.98774 1767.924       227.2034 1589.843       323.4691 1941.337       319.2017 228.6263 24.50633 253.8183 21.64978 -25.19194      32.69974 
1 1 1 21  1  22 o 69.83100 29.49986 25.32434       207.5068 -253.7807      311.9523 246.8334       277.9074 68.55392 31.91458 98.06544 36.35649 -29.51152      48.37701 
1 1 1 21  1  23 o 97.22375 31.56227 285.6165       205.8766 285.3924       291.3644 285.8399       290.9431 102.5184 37.35699 102.5316 37.33477 -0.1326752E-01 52.81505 
1 1 1 21  1  24 o 71.69003 32.68309 -157.7661      303.7331 -157.7661      303.7331 0.000000       0.000000 71.69003 32.68309 ?        ?        0.000000       32.68309 
1 1 1 21  1  25 o 84.74824 32.48046 166.6157       225.9850 100.2671       329.2470 225.7143       310.7379 90.05197 37.54155 97.91511 37.93914 -7.863136      53.37365 
1 1 1 21  1  26 o 194.1573 19.05137 1141.854       214.1455 1283.810       311.7152 1014.977       294.6958 202.9734 26.84338 179.2294 29.02786 23.74400       39.53712 
1 1 1 21  1  27 o 64.60495 28.17052 -18.57867      200.8007 -11.49863      307.4031 -23.84808      265.1985 79.77177 34.81821 73.61420 32.23042 6.157570       47.44584 
1 1 1 21  1  28 o 225.6121 16.96203 1533.295       222.7916 1563.688       338.4300 1510.051       295.9712 223.8223 26.28208 221.4034 23.13474 2.418961       35.01377 
1 1 1 21  1  29 o 69.68427 29.32524 43.83560       203.7972 -113.0887      297.5170 182.5576       279.7302 71.98454 32.63238 90.09959 35.67221 -18.11504      48.34644 
1 1 1 21  1  30 o 216.1970 16.28315 1413.991       204.9438 1505.518       279.8456 1308.121       300.9753 220.4477 21.93603 203.2881 25.82677 17.15958       33.88527 
1 1 1 21  1  31 o 43.89888 21.45358 -316.5233      182.7248 -220.8175      246.5257 -433.2031      272.2017 58.51676 27.59912 54.03019 26.35686 4.486576       38.16275 
1 1 1 21  1  32 o 211.2682 15.15523 1355.771       186.5315 1213.094       254.8160 1520.495       273.7964 195.7035 22.61695 220.0850 21.48555 -24.38144      31.19544 
1 1 1 21  1  33 o 49.55092 22.98211 -108.8218      159.4530 -103.8744      219.4952 -114.3503      232.0275 59.77816 27.45144 60.99895 28.08938 -1.220791      39.27588 
1 1 1 21  1  34 o 171.7976 17.02753 913.2953       169.3064 927.5865       239.3571 898.9854       239.5139 168.3253 25.00494 165.3225 25.52382 3.002792       35.73111 
1 1 1 21  1  35 o 41.46373 20.02842 -204.9185      147.2699 -302.5308      207.1609 -105.1855      209.3991 47.85421 23.26509 57.58710 26.57792 -9.732891      35.32209 
1 1 1 21  1  36 o 122.4210 20.10803 483.5096       139.3617 441.6384       204.2709 519.9683       190.6117 110.9132 30.47075 122.7357 27.19645 -11.82249      40.84254 
1 1 1 21  1  37 o 111.5374 22.75383 414.8894       143.7944 523.3933       209.7006 318.5906       197.5546 120.8441 29.78288 94.32063 30.93742 26.52347       42.94350 
1 1 1 21  1  38 o 40.52678 19.64468 -205.7798      144.8509 104.3089       210.9574 -482.3902      199.2444 71.33007 29.91551 40.21855 20.12312 31.11152       36.05381 
1 1 1 21  1  39 o 53.92366 24.15471 -22.98532      157.5295 185.7919       238.4751 -184.6124      209.8256 79.85696 32.47608 52.30323 24.89905 27.55374       40.92259 
1 1 1 21  1  40 o 120.5577 24.52407 501.9442       167.4864 554.6694       239.3128 451.3252       234.4840 119.5703 33.03276 107.2426 33.56035 12.32769       47.08992 
1 1 1 21  1  41 o 214.8945 16.78135 1462.272       209.8203 1188.174       282.5184 1799.416       313.3291 183.3536 27.08724 230.6916 23.48608 -47.33800      35.85128 
1 1 1 21  1  42 o 57.42283 27.22688 -162.4708      245.9543 -127.0441      292.7921 -247.4005      453.3395 64.09023 30.18160 72.87839 35.18732 -8.788155      46.35814 
1 1 1 21  2  0  o 801.2762 19.74415 19034.61       927.8361 18793.87       1291.022 19291.78       1334.368 791.4771 27.85624 801.5286 28.43115 -10.05151      39.80327 
1 1 1 21  2  1  o 149.2416 27.35912 686.6955       230.6433 466.9653       319.3972 926.1314       333.4118 123.9331 39.22116 172.0770 34.24237 -48.14382      52.06572 
1 1 1 21  2  2  o 461.7052 14.77163 6296.653       399.4703 6847.250       575.2739 5783.928       555.1368 479.9057 20.48654 440.6750 21.54514 39.23065       29.73031 
1 1 1 21  2  3  o 212.3949 20.49424 1351.099       252.1191 1349.644       340.5599 1352.865       375.0274 210.3181 28.32978 209.6493 31.47219 0.6687622      42.34471 
1 1 1 21  2  4  o 368.6247 22.15696 4057.318       476.7996 0.000000       0.000000 4057.318       476.7996 ?        ?        368.6247 22.15696 0.000000       22.15696 
1 1 1 21  2  5  o 113.9701 40.90240 350.9139       347.6150 0.000000       0.000000 350.9139       347.6150 ?        ?        113.9701 40.90240 0.000000       40.90240 
1 1 1 21  2  6  o 260.7845 28.10006 2065.999       422.9978 0.000000       0.000000 2065.999       422.9978 ?        ?        260.7845 28.10006 0.000000       28.10006 
1 1 1 21  2  7  o 363.2370 22.54922 3948.013       477.9970 0.000000       0.000000 3948.013       477.9970 ?        ?        363.2370 22.54922 0.000000       22.54922 
1 1 1 21  2  8  o 236.3067 22.70392 1680.500       310.7825 2063.761       430.1489 1261.950       449.5162 260.2565 28.65532 199.0523 39.89666 61.20416       49.12098 
1 1 1 21  2  9  f 152.3114 39.96883 744.1746       361.4456 744.1746       361.4456 0.000000       0.000000 152.3114 39.96883 ?        ?        0.000000       39.96883 
1 1 1 21  2  10 o 321.0286 22.85629 3094.226       427.5136 3094.226       427.5136 0.000000       0.000000 321.0286 22.85629 ?        ?        0.000000       22.85629 
1 1 1 21  2  11 o 303.7678 25.79561 2792.496       455.2136 2792.496       455.2136 0.000000       0.000000 303.7678 25.79561 ?        ?        0.000000       25.79561 
1 1 1 21  2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  2  13 o 365.7395 18.36057 3986.773       392.5704 3986.773       392.5704 0.000000       0.000000 365.7395 18.36057 ?        ?        0.000000       18.36057 
1 1 1 21  2  14 f 897.0833 16.11118 23858.04       847.6385 23509.36       1179.363 24230.62       1219.109 885.4779 22.72890 898.5956 23.15206 -13.11774      32.44411 
1 1 1 21  2  15 o 317.6830 19.73010 3020.454       365.7843 3020.454       365.7843 0.000000       0.000000 317.6830 19.73010 ?        ?        0.000000       19.73010 
1 1 1 21  2  16 o 429.9666 12.02049 5459.485       302.8176 5880.932       455.7180 5126.272       405.2144 444.5331 17.51428 415.2767 16.67172 29.25638       24.18049 
1 1 1 21  2  17 o 142.3516 27.31110 632.1711       219.7180 769.6064       306.5630 487.0044       315.0678 155.2542 34.55798 124.5606 38.89036 30.69358       52.02608 
1 1 1 21  2  18 o 222.9975 18.02241 1487.695       233.6955 1322.096       349.4824 1621.630       314.3008 206.6112 29.69363 231.3392 23.49110 -24.72806      37.86216 
1 1 1 21  2  19 o 164.6066 24.11602 829.9142       225.9072 748.0483       331.8610 900.6099       308.3906 152.3888 37.41259 169.0518 32.28204 -16.66296      49.41490 
1 1 1 21  2  20 o 401.7890 17.50578 4804.834       411.5159 0.000000       0.000000 4804.834       411.5159 ?        ?        401.7890 17.50578 0.000000       17.50578 
1 1 1 21  2  21 o 265.6802 15.18726 2097.664       235.6547 1852.342       331.2414 2349.076       335.3285 247.4206 23.09427 279.6978 20.58660 -32.27725      30.93789 
1 1 1 21  2  22 f 284.5332 14.11308 2402.192       234.7728 2578.994       343.6016 2247.372       321.5336 293.1108 20.11001 273.5042 20.18754 19.60654       28.49473 
1 1 1 21  2  23 o 110.7415 31.18602 388.5642       211.1104 592.4357       293.3671 169.6055       304.0285 135.2603 36.24909 93.35822 37.11624 41.90208       51.88074 
1 1 1 21  2  24 o 193.6074 20.20217 1135.564       226.0166 1003.814       342.2849 1237.421       300.9595 176.7746 34.25266 200.0805 26.28290 -23.30594      43.17448 
1 1 1 21  2  25 o 49.34015 23.81115 -307.0320      206.9890 -286.6234      295.0782 -326.8028      290.4305 64.21662 30.25902 61.88220 29.41200 2.334419       42.19803 
1 1 1 21  2  26 o 107.8192 29.93500 372.5151       195.9925 733.0355       287.4955 59.48369       267.8922 150.0331 33.51936 79.98293 33.63836 70.05017       47.48775 
1 1 1 21  2  27 o 158.5813 22.30495 776.3752       201.7204 764.4944       289.2186 787.6295       281.4897 153.1207 33.16752 156.0293 31.84054 -2.908615      45.97722 
1 1 1 21  2  28 o 122.8435 37.32679 499.9099       292.6353 0.000000       0.000000 499.9099       292.6353 ?        ?        122.8435 37.32679 0.000000       37.32679 
1 1 1 21  2  29 o 49.92967 23.72492 -214.1191      188.7307 -236.2926      283.2276 -196.4099      253.1148 63.96613 29.98449 61.45762 28.65667 2.508514       41.47619 
1 1 1 21  2  30 o 48.90080 23.15767 -187.6705      176.8803 -176.8576      252.3939 -198.1067      247.9581 61.94202 28.79253 60.22930 28.17550 1.712723       40.28484 
1 1 1 21  2  31 o 151.5373 21.74711 722.7318       187.7423 847.1497       257.6298 581.8403       274.1555 160.7359 28.36619 129.2944 35.21136 31.44154       45.21593 
1 1 1 21  2  32 o 91.37720 29.30130 275.0086       177.7899 265.3474       256.5434 283.9366       246.6160 93.19769 34.85701 94.61861 34.38508 -1.420921      48.96269 
1 1 1 21  2  33 o 162.5007 18.70750 823.8488       175.0383 928.2498       255.8649 732.0076       239.9810 167.5826 26.94678 147.2844 28.81482 20.29816       39.45153 
1 1 1 21  2  34 o 49.73335 22.93588 -92.36592      155.5201 -33.43534      215.6391 -156.2424      224.5059 63.30972 28.31718 57.37949 26.83180 5.930233       39.01036 
1 1 1 21  2  35 o 61.01912 25.47096 53.67004       151.8489 1.645890       222.5752 98.96851       207.6902 66.15343 29.22425 72.06097 29.91031 -5.907532      41.81726 
1 1 1 21  2  36 o 79.00908 26.94901 205.2046       149.7089 338.8595       220.6723 91.23308       203.7762 97.12273 32.72222 70.37859 29.45139 26.74415       44.02417 
1 1 1 21  2  37 o 102.6871 23.99412 357.6009       141.8851 464.9219       214.0033 273.4226       189.5301 112.6943 31.27708 88.54216 30.31898 24.15210       43.56026 
1 1 1 21  2  38 o 78.07375 26.97806 204.0127       150.1693 277.4016       218.3709 138.1693       206.8407 88.69823 32.33781 73.95592 30.18191 14.74230       44.23439 
1 1 1 21  2  39 o 52.71795 23.62607 -24.63286      150.9085 -99.60925      222.5729 39.16101       205.3050 58.32499 27.08625 65.05186 28.42274 -6.726864      39.26216 
1 1 1 21  2  40 o 99.61084 28.27527 362.3498       172.8385 75.63663       251.5188 618.8756       237.9097 71.83500 31.42132 127.7182 31.86729 -55.88318      44.75291 
1 1 1 21  2  41 o 51.56366 24.20772 -119.7394      185.8198 -180.1983      265.2495 -61.47294      260.3956 59.09071 28.09176 64.08347 29.59819 -4.992756      40.80686 
1 1 1 21  2  42 o 77.74798 31.83725 182.3117       231.1180 40.39882       273.8166 533.9051       430.9920 70.70653 31.74547 105.7176 43.40419 -35.01105      53.77452 
1 1 1 21  3  0  o 421.3056 14.37872 5241.875       354.7569 5463.808       498.6827 5014.484       504.7769 428.7776 19.88502 410.4008 21.04229 18.37674       28.95154 
1 1 1 21  3  1  o 179.0214 36.57832 1008.328       371.0552 0.000000       0.000000 1008.328       371.0552 ?        ?        179.0214 36.57832 0.000000       36.57832 
1 1 1 21  3  2  o 377.5885 21.59261 4251.281       476.1677 0.000000       0.000000 4251.281       476.1677 ?        ?        377.5885 21.59261 0.000000       21.59261 
1 1 1 21  3  3  o 162.8170 40.39089 845.7609       383.8190 0.000000       0.000000 845.7609       383.8190 ?        ?        162.8170 40.39089 0.000000       40.39089 
1 1 1 21  3  4  o 102.8025 34.80770 302.6735       249.7017 249.9331       340.8643 363.7538       366.8261 104.8003 39.95842 116.3833 41.98585 -11.58298      57.96109 
1 1 1 21  3  5  o 72.16409 31.32306 -26.43918      245.8895 -26.07460      323.4898 -26.93808      378.4146 82.89382 35.95412 89.54100 38.86173 -6.647179      52.94273 
1 1 1 21  3  6  o 361.6596 15.79756 3873.568       334.2655 3725.670       458.1318 4041.932       488.8031 352.9691 22.24423 367.5257 22.78965 -14.55655      31.84610 
1 1 1 21  3  7  o 198.5470 23.69580 1193.186       270.4812 1054.741       363.1762 1365.626       405.3210 183.1935 35.08016 209.3798 34.18614 -26.18629      48.98275 
1 1 1 21  3  8  o 226.2350 30.20019 1572.213       390.7009 1572.213       390.7009 0.000000       0.000000 226.2350 30.20019 ?        ?        0.000000       30.20019 
1 1 1 21  3  9  o 311.2168 23.52774 2911.511       426.2506 2911.511       426.2506 0.000000       0.000000 311.2168 23.52774 ?        ?        0.000000       23.52774 
1 1 1 21  3  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  12 o 253.2262 29.62928 1970.214       431.7183 1970.214       431.7183 0.000000       0.000000 253.2262 29.62928 ?        ?        0.000000       29.62928 
1 1 1 21  3  13 o 376.2413 18.41096 4219.247       405.0166 4219.247       405.0166 0.000000       0.000000 376.2413 18.41096 ?        ?        0.000000       18.41096 
1 1 1 21  3  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  3  16 o 363.8039 12.90244 3914.141       274.8537 4231.021       401.4755 3634.609       377.0747 376.7032 18.22636 348.9961 18.48879 27.70709       25.96220 
1 1 1 21  3  17 o 275.8371 22.53084 2294.258       361.3131 0.000000       0.000000 2294.258       361.3131 ?        ?        275.8371 22.53084 0.000000       22.53084 
1 1 1 21  3  18 o 235.6034 16.66106 1654.968       228.7307 2262.641       347.2757 1189.373       303.9791 274.1996 21.77385 196.6725 27.07161 77.52719       34.74151 
1 1 1 21  3  19 o 166.7060 25.91611 856.0776       245.1514 919.3940       339.9742 787.4935       353.8338 169.8472 35.28428 156.0324 38.82366 13.81473       52.46196 
1 1 1 21  3  20 o 181.7475 22.61423 1004.072       235.8473 868.5057       327.1183 1150.830       340.3520 165.0402 34.88890 191.9235 31.31668 -26.88335      46.88250 
1 1 1 21  3  21 f 250.3531 23.10756 1896.582       335.4532 1896.582       335.4532 0.000000       0.000000 250.3531 23.10756 ?        ?        0.000000       23.10756 
1 1 1 21  3  22 o 275.1271 14.07286 2246.479       226.3190 2148.833       323.8143 2339.728       316.4397 267.1684 20.83072 279.3044 19.43935 -12.13596      28.49223 
1 1 1 21  3  23 o 64.01797 28.35958 -55.63276      211.0161 -148.5068      337.7387 3.836587       270.2591 76.84576 34.80903 76.92010 33.11081 -0.7434845E-01 48.04159 
1 1 1 21  3  24 o 62.49443 27.72147 -54.86883      202.2891 75.56348       308.5037 -153.2477      267.9283 86.36175 36.19537 66.77029 30.53766 19.59145       47.35667 
1 1 1 21  3  25 o 97.17879 31.50734 289.6111       205.1982 101.2809       291.0291 475.7953       289.3662 85.99986 35.52427 121.3172 37.16800 -35.31732      51.41434 
1 1 1 21  3  26 o 68.02709 28.22578 49.75727       184.8612 -148.1411      272.5563 218.3524       251.5694 67.39287 30.81403 92.00462 34.49549 -24.61176      46.25412 
1 1 1 21  3  27 o 127.0453 27.33056 515.2160       197.5909 752.6475       283.2581 290.1819       275.7639 152.0446 32.73517 100.6236 36.38955 51.42102       48.94681 
1 1 1 21  3  28 o 231.8706 15.32088 1611.897       207.1759 1316.999       299.1889 1883.564       287.1631 205.5400 25.35683 248.9500 19.83209 -43.40999      32.19131 
1 1 1 21  3  29 o 191.8281 17.69556 1117.152       196.8372 924.7335       292.4810 1276.452       266.1221 168.7277 30.68713 203.0029 22.74313 -34.27519      38.19621 
1 1 1 21  3  30 o 64.94640 27.37051 37.56861       177.9385 -52.48706      253.6577 124.8189       249.6755 69.04377 30.80870 81.50008 33.19800 -12.45631      45.29110 
1 1 1 21  3  31 o 166.8915 19.16990 862.2932       184.2281 763.2321       266.7359 952.6534       254.7527 150.6506 31.21666 171.8940 26.08852 -21.24347      40.68281 
1 1 1 21  3  32 o 133.2661 22.76983 570.0408       171.5761 547.6277       253.4437 589.0033       233.1191 124.8512 33.79408 131.1989 30.82346 -6.347748      45.73976 
1 1 1 21  3  33 o 74.68128 27.29216 162.1424       155.6781 212.6708       228.5534 118.4087       212.6319 85.60464 32.70028 75.20954 30.63613 10.39510       44.80938 
1 1 1 21  3  34 o 184.5282 16.23933 1048.260       173.9534 949.7592       245.2894 1147.923       246.7314 170.0033 25.37799 189.0703 22.70474 -19.06702      34.05213 
1 1 1 21  3  35 o 53.45401 24.20388 -54.54267      163.1042 -199.7644      245.4504 60.29093       218.2641 57.85647 27.36329 69.92277 29.92091 -12.06630      40.54639 
1 1 1 21  3  36 o 72.67995 26.63572 160.0611       148.4385 177.2063       216.7864 144.9273       203.6742 79.39335 31.41287 75.27684 30.22690 4.116508       43.59397 
1 1 1 21  3  37 o 121.3720 21.25528 482.7924       145.7888 531.4794       221.2273 445.4173       193.8312 120.7382 31.06425 111.5286 29.27044 9.209564       42.68192 
1 1 1 21  3  38 o 98.01711 24.64016 331.4387       141.4685 309.2899       219.9570 347.0646       184.7502 92.23304 32.59595 97.72987 29.65086 -5.496834      44.06438 
1 1 1 21  3  39 o 92.80140 25.80995 303.5437       145.5612 337.2233       220.1572 277.3861       194.0205 94.72079 32.66822 87.76536 30.64566 6.955437       44.79251 
1 1 1 21  3  40 o 55.38844 24.69558 -11.27407      162.6411 -366.8481      232.9695 326.7843       227.1590 48.30447 23.73333 92.91052 33.09649 -44.60605      40.72651 
1 1 1 21  3  41 o 128.5253 24.52225 573.1294       178.0992 516.3789       252.0501 629.7184       251.6910 112.6992 34.71836 126.3726 33.44385 -13.67346      48.20638 
1 1 1 21  3  42 o 47.67710 23.30715 -306.6949      216.1485 -448.1512      306.0501 -165.9207      305.3114 54.49286 26.85717 63.70536 30.24323 -9.212502      40.44701 
1 1 1 21  4  0  o 204.7608 22.99246 1263.511       271.3456 0.000000       0.000000 1263.511       271.3456 ?        ?        204.7608 22.99246 0.000000       22.99246 
1 1 1 21  4  1  o 394.6613 21.56172 4643.733       497.1706 0.000000       0.000000 4643.733       497.1706 ?        ?        394.6613 21.56172 0.000000       21.56172 
1 1 1 21  4  2  o 332.7252 15.60490 3277.115       303.6586 3546.384       407.7431 2941.796       455.0110 345.0725 20.23653 312.8658 25.00579 32.20679       32.16842 
1 1 1 21  4  3  o 373.1901 15.31665 4120.029       334.5187 4213.128       452.4144 4007.737       496.8656 376.0728 20.59084 365.9693 23.27014 10.10352       31.07221 
1 1 1 21  4  4  o 127.2060 32.86152 508.6333       246.8844 487.2639       314.5406 542.9243       398.4471 125.6436 38.79787 133.7493 43.94013 -8.105721      58.61749 
1 1 1 21  4  5  o 211.9525 21.11708 1348.744       259.0070 1186.750       332.5995 1598.350       412.8574 196.3710 29.81565 227.8487 31.75785 -31.47766      43.56069 
1 1 1 21  4  6  o 389.7038 15.23447 4494.126       347.5161 4385.400       469.4778 4625.905       516.8551 383.4047 20.95859 393.3013 22.50138 -9.896606      30.75019 
1 1 1 21  4  7  o 139.6506 37.48808 619.7085       313.4439 619.7085       313.4439 0.000000       0.000000 139.6506 37.48808 ?        ?        0.000000       37.48808 
1 1 1 21  4  8  o 160.9589 36.40582 823.6592       335.5917 823.6592       335.5917 0.000000       0.000000 160.9589 36.40582 ?        ?        0.000000       36.40582 
1 1 1 21  4  9  o 408.5036 20.90091 4983.011       499.0747 4983.011       499.0747 0.000000       0.000000 408.5036 20.90091 ?        ?        0.000000       20.90091 
1 1 1 21  4  10 o 125.1153 40.70673 479.1174       342.3510 479.1174       342.3510 0.000000       0.000000 125.1153 40.70673 ?        ?        0.000000       40.70673 
1 1 1 21  4  11 o 258.4653 28.24556 2041.652       421.1951 2041.652       421.1951 0.000000       0.000000 258.4653 28.24556 ?        ?        0.000000       28.24556 
1 1 1 21  4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4  14 o 617.3981 18.68831 11355.36       675.9050 11355.36       675.9050 0.000000       0.000000 617.3981 18.68831 ?        ?        0.000000       18.68831 
1 1 1 21  4  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  4  16 o 309.3208 14.97843 2839.658       270.9150 3569.796       392.7460 2176.882       374.1905 345.5359 19.45927 268.0954 24.05408 77.44052       30.93965 
1 1 1 21  4  17 o 359.9129 13.24520 3832.439       279.1032 3771.513       385.5115 3899.550       404.6034 355.5280 18.55318 361.3220 19.16198 -5.793945      26.67211 
1 1 1 21  4  18 o 84.23456 32.94842 141.6888       236.1198 371.6467       328.3087 -104.7028      339.8374 113.6454 39.85144 79.84592 35.64245 33.79945       53.46515 
1 1 1 21  4  19 o 339.9147 13.80654 3421.037       274.6634 3249.817       380.2985 3607.731       397.1122 329.6194 19.76335 347.4201 19.56892 -17.80078      27.81245 
1 1 1 21  4  20 o 283.5634 15.66854 2390.004       259.5599 2441.349       360.0052 2334.419       374.5743 284.8647 21.71221 278.0293 23.18268 6.835388       31.76250 
1 1 1 21  4  21 o 52.58760 25.06751 -267.7720      214.1185 -376.8060      318.2730 -177.6230      289.4005 64.43137 30.67072 69.04274 31.63727 -4.611374      44.06370 
1 1 1 21  4  22 f 239.2699 16.03808 1707.224       223.7565 1810.549       344.1486 1631.561       294.4996 243.8506 24.39120 232.2209 21.88179 11.62975       32.76802 
1 1 1 21  4  23 o 176.2254 21.66525 945.8565       219.2077 685.6207       319.7954 1176.501       301.0648 145.0150 37.36883 194.9690 27.05789 -49.95403      46.13631 
1 1 1 21  4  24 o 330.4645 12.62399 3236.602       244.2151 3350.102       371.3846 3150.133       324.1571 333.9921 19.03881 324.5877 17.08856 9.404358       25.58311 
1 1 1 21  4  25 o 89.65800 31.44174 229.2978       204.3673 134.7880       289.7221 322.8957       288.3210 88.41663 35.85519 105.1346 37.30365 -16.71795      51.74125 
1 1 1 21  4  26 o 96.86659 29.56321 294.7944       183.2953 438.5338       260.8923 154.6851       257.5768 116.4140 35.21735 86.54881 34.24187 29.86517       49.11993 
1 1 1 21  4  27 o 55.36259 25.32704 -109.3190      184.4576 -52.17201      265.1483 -162.9148      256.7779 71.72614 31.78119 64.13309 29.53875 7.593056       43.38873 
1 1 1 21  4  28 o 471.5744 11.22220 6586.126       310.3693 6625.348       448.8817 6550.200       429.6092 470.1418 16.30461 467.8465 15.67956 2.295288       22.62053 
1 1 1 21  4  29 o 223.8981 15.11653 1506.263       197.3331 1553.951       287.3729 1463.714       271.4496 224.4246 22.12085 218.0510 21.50629 6.373596       30.85211 
1 1 1 21  4  30 o 65.91081 27.21542 59.48612       170.7215 -144.5523      250.1473 237.3880       233.5770 63.16603 29.11552 90.66775 33.38134 -27.50171      44.29478 
1 1 1 21  4  31 o 149.7294 20.85525 703.3618       178.1724 617.6660       265.1466 773.9178       240.5876 133.6309 33.81102 153.6091 27.72579 -19.97824      43.72533 
1 1 1 21  4  32 o 87.77181 28.50982 251.2785       167.9676 241.5512       257.0905 258.5230       221.8671 90.74760 34.67757 90.63588 32.65853 0.1117249      47.63522 
1 1 1 21  4  33 o 98.26419 26.58132 324.6925       156.8602 225.8348       212.2348 443.7034       232.8652 85.93291 31.78760 112.0079 33.12973 -26.07501      45.91330 
1 1 1 21  4  34 o 100.2558 27.73252 343.3939       168.5560 273.9436       240.1677 410.8076       236.6202 91.83352 33.84236 107.2235 33.73546 -15.39001      47.78480 
1 1 1 21  4  35 o 111.6039 24.60572 417.7569       156.7114 616.5809       225.9252 233.3865       217.5584 132.7523 29.75596 85.80132 32.09768 46.95097       43.76846 
1 1 1 21  4  36 o 44.67802 22.09994 -416.1265      213.9045 -416.1265      213.9045 0.000000       0.000000 44.67802 22.09994 ?        ?        0.000000       22.09994 
1 1 1 21  4  37 o 223.0238 12.13457 1508.115       158.1201 1564.092       228.6245 1456.788       218.9221 223.1659 17.61069 215.4446 17.47613 7.721222       24.81031 
1 1 1 21  4  38 o 123.0418 21.29828 499.4700       148.1283 460.2298       226.5555 528.7706       195.7703 110.1738 32.70079 122.0138 27.95868 -11.83995      43.02359 
1 1 1 21  4  39 o 61.95388 25.60545 76.37756       151.3112 90.75980       235.9620 66.33324       197.1919 71.84576 30.93269 66.20145 28.38651 5.644318       41.98362 
1 1 1 21  4  40 o 75.99423 27.25266 193.6578       154.2866 389.2939       220.4465 5.817529       216.0096 100.3503 32.66606 63.52752 28.38320 36.82282       43.27444 
1 1 1 21  4  41 o 77.60140 28.74419 204.8644       173.6447 256.6234       250.6830 157.1224       240.7590 85.26907 33.76630 76.36640 31.98864 8.902672       46.51275 
1 1 1 21  4  42 o 54.20221 25.29876 -101.4726      198.0646 -102.7193      275.8706 -100.1463      284.5418 63.42161 29.68514 64.41115 30.14823 -0.9895401     42.30985 
1 1 1 21  5  0  o 378.8950 20.26954 4274.113       448.7762 4274.113       448.7762 0.000000       0.000000 378.8950 20.26954 ?        ?        0.000000       20.26954 
1 1 1 21  5  1  o 296.9371 16.43528 2614.685       285.0983 2656.375       363.6975 2548.235       459.1682 298.2807 20.92320 290.3046 27.28919 7.976074       34.38721 
1 1 1 21  5  2  o 305.0687 16.31997 2759.260       290.9271 2438.630       362.9875 3335.169       486.4822 285.4771 21.84651 333.1266 25.08473 -47.64948      33.26430 
1 1 1 21  5  3  o 661.5817 17.47954 12967.19       677.6155 12856.44       930.8806 13092.02       988.2792 655.6639 24.24997 660.9496 25.54342 -5.285767      35.22112 
1 1 1 21  5  4  o 218.4976 22.48286 1436.868       283.9964 1175.693       358.2841 1878.351       465.8217 194.5923 32.54259 246.8659 33.00005 -52.27357      46.34678 
1 1 1 21  5  5  o 504.8521 15.73905 7541.916       465.4385 7608.260       627.9197 7461.012       693.3998 505.2095 21.23988 499.2747 23.74873 5.934753       31.86118 
1 1 1 21  5  6  o 242.7244 20.54392 1764.094       289.7031 2063.180       354.3380 1161.088       503.1305 261.8882 23.31363 188.8951 45.87824 72.99318       51.46201 
1 1 1 21  5  7  o 505.2919 21.36288 7618.057       631.6429 7618.057       631.6429 0.000000       0.000000 505.2919 21.36288 ?        ?        0.000000       21.36288 
1 1 1 21  5  8  o 190.0720 30.78291 1120.003       331.4195 1120.003       331.4195 0.000000       0.000000 190.0720 30.78291 ?        ?        0.000000       30.78291 
1 1 1 21  5  9  o 168.4118 36.97346 904.0494       355.1563 904.0494       355.1563 0.000000       0.000000 168.4118 36.97346 ?        ?        0.000000       36.97346 
1 1 1 21  5  10 o 456.8633 21.15532 6238.115       565.2958 6238.115       565.2958 0.000000       0.000000 456.8633 21.15532 ?        ?        0.000000       21.15532 
1 1 1 21  5  11 o 224.3798 31.00547 1558.299       397.1188 1558.299       397.1188 0.000000       0.000000 224.3798 31.00547 ?        ?        0.000000       31.00547 
1 1 1 21  5  12 o 151.9474 30.45949 725.5922       261.9754 725.5922       261.9754 0.000000       0.000000 151.9474 30.45949 ?        ?        0.000000       30.45949 
1 1 1 21  5  13 o 268.6367 17.41772 2152.010       272.9352 2152.010       272.9352 0.000000       0.000000 268.6367 17.41772 ?        ?        0.000000       17.41772 
1 1 1 21  5  14 o 349.8178 19.33799 3657.326       395.1943 3657.326       395.1943 0.000000       0.000000 349.8178 19.33799 ?        ?        0.000000       19.33799 
1 1 1 21  5  15 o 455.8354 17.76500 6186.153       474.0144 6186.153       474.0144 0.000000       0.000000 455.8354 17.76500 ?        ?        0.000000       17.76500 
1 1 1 21  5  16 o 129.2298 31.73434 530.5403       238.7277 316.6709       323.8745 784.9798       353.2602 108.2066 39.39259 155.6481 38.82913 -47.44154      55.31255 
1 1 1 21  5  17 o 142.1085 29.10336 634.2530       234.3888 899.2183       299.7234 217.1076       376.0710 169.1568 31.36677 104.2010 41.32754 64.95579       51.88295 
1 1 1 21  5  18 o 148.5357 39.24322 713.9238       346.9204 713.9238       346.9204 0.000000       0.000000 148.5357 39.24322 ?        ?        0.000000       39.24322 
1 1 1 21  5  19 o 282.4168 17.66436 2378.781       291.1111 2418.962       406.3120 2336.399       417.2940 282.5468 24.77021 277.2079 25.97001 5.338928       35.88879 
1 1 1 21  5  20 o 357.1487 13.96265 3777.909       291.8972 4032.387       397.7880 3481.017       429.6620 367.6364 18.50896 340.4304 21.63218 27.20609       28.46986 
1 1 1 21  5  21 o 294.7901 14.23687 2577.879       245.4099 2751.467       360.0411 2427.246       335.3924 302.7836 20.39436 284.3538 20.24386 18.42981       28.73576 
1 1 1 21  5  22 o 94.21937 31.41841 262.3427       203.4913 727.0569       308.2432 -96.63789      270.9169 150.0355 35.57446 70.65224 31.66023 79.38330       47.62260 
1 1 1 21  5  23 o 263.3530 14.86090 2064.051       228.5957 2040.703       337.4211 2083.857       310.7852 259.4613 22.39319 262.9625 20.30916 -3.501221      30.23106 
1 1 1 21  5  24 o 142.5541 26.72255 638.8773       215.2067 366.1185       316.6977 872.8848       293.3393 111.1085 39.12611 165.4352 31.38158 -54.32674      50.15632 
1 1 1 21  5  25 o 229.0471 16.43204 1572.588       219.2661 1534.336       316.4484 1607.913       304.0984 223.2810 24.57145 229.3136 22.91843 -6.032608      33.60075 
1 1 1 21  5  26 o 80.21459 29.91465 162.1643       188.6772 175.9026       273.9090 149.7598       260.2728 89.96857 35.39859 86.34605 34.33735 3.622520       49.31646 
1 1 1 21  5  27 o 44.47380 21.62853 -299.6473      179.4275 -206.6817      260.5487 -383.5038      247.4549 62.44920 29.10416 52.92312 25.65895 9.526081       38.79992 
1 1 1 21  5  28 o 314.4778 12.25727 2939.530       225.6326 3132.715       335.0405 2779.199       305.2250 322.2969 17.79424 303.7917 17.20172 18.50525       24.74942 
1 1 1 21  5  29 o 147.0342 21.88893 673.8932       183.0067 533.4945       269.7169 793.6758       249.1285 125.8021 35.18694 157.0713 28.07484 -31.26917      45.01464 
1 1 1 21  5  30 o 62.51918 26.49955 28.50918       168.3755 104.8052       243.0356 -41.91062      233.4890 78.86710 32.50919 66.74974 29.68589 12.11736       44.02385 
1 1 1 21  5  31 o 215.0750 15.06644 1401.525       188.8405 1282.904       270.4677 1514.353       263.7796 201.2870 23.34361 220.5898 20.62869 -19.30275      31.15232 
1 1 1 21  5  32 o 139.3148 27.77327 647.4511       218.9548 0.000000       0.000000 647.4511       218.9548 ?        ?        139.3148 27.77327 0.000000       27.77327 
1 1 1 21  5  33 o 70.91180 26.31091 140.6167       145.6025 103.5638       199.1295 183.1869       213.4408 72.29516 29.57210 81.40919 31.47054 -9.114029      43.18453 
1 1 1 21  5  34 o 41.79878 20.21206 -214.9925      150.9893 -250.1286      211.9733 -178.8041      215.1238 50.91802 24.45062 54.71347 25.79804 -3.795448      35.54394 
1 1 1 21  5  35 o 53.83722 23.65427 -7.555268      143.9734 86.31763       213.7514 -85.50906      194.7859 71.36520 30.03276 56.38997 25.88246 14.97523       39.64680 
1 1 1 21  5  36 o 177.9492 15.01156 976.4012       155.2053 824.3424       225.9990 1112.130       213.5192 156.5106 25.49838 186.7431 19.79702 -30.23256      32.28141 
1 1 1 21  5  37 o 88.06319 26.68081 269.3502       149.6642 248.8687       218.6739 287.3987       205.2751 86.09116 32.18519 90.16270 31.51928 -4.071548      45.04832 
1 1 1 21  5  38 o 65.47116 26.10460 106.4289       150.8161 -63.15165      208.9690 290.7851       217.8826 58.82199 26.92758 89.93252 32.36923 -31.11053      42.10536 
1 1 1 21  5  39 o 154.7011 18.41024 768.0610       163.7606 713.7295       247.6878 810.2553       218.2756 138.4839 31.24255 153.6343 25.09034 -15.15038      40.07021 
1 1 1 21  5  40 o 195.7864 15.17212 1195.873       172.8540 1293.302       255.8667 1114.078       234.4411 196.8050 22.57630 182.7889 22.33242 14.01610       31.75573 
1 1 1 21  5  41 o 74.78062 27.66764 186.0627       160.7989 380.1618       227.6451 -7.216091      227.1635 98.07880 33.23465 63.47232 28.66905 34.60648       43.89142 
1 1 1 21  5  42 o 76.65197 29.12390 196.5395       180.6819 170.3664       248.2844 226.0040       263.4336 77.57707 32.48949 82.72788 33.94612 -5.150810      46.98836 
1 1 1 21  6  0  o 105.4234 29.32575 344.7915       187.8999 406.6224       259.4558 276.5954       272.4838 115.0818 35.18269 101.5617 36.24067 13.52010       50.50948 
1 1 1 21  6  1  o 416.4364 14.34050 5124.500       349.7156 5359.685       486.6036 4873.253       502.9463 424.5029 19.59827 404.2224 21.29045 20.28055       28.93744 
1 1 1 21  6  2  o 303.6682 16.65033 2736.092       295.3981 2697.402       369.0197 2805.111       492.8718 300.4521 21.07595 304.3230 27.92630 -3.870911      34.98677 
1 1 1 21  6  3  o 732.1694 18.62309 15906.95       799.0262 15968.96       1108.392 15839.86       1152.910 729.5740 25.94570 725.8516 27.13077 3.722412       37.54008 
1 1 1 21  6  4  o 342.8306 15.95012 3482.883       319.8173 3457.206       404.1222 3525.916       523.1632 340.4554 20.33223 341.9227 26.29080 -1.467346      33.23561 
1 1 1 21  6  5  o 265.4349 19.20403 2102.253       296.9302 2189.157       374.7953 1955.762       486.6104 269.6301 23.95041 251.4466 33.85740 18.18346       41.47223 
1 1 1 21  6  6  o 310.2448 21.28320 2879.449       384.9046 2879.449       384.9046 0.000000       0.000000 310.2448 21.28320 ?        ?        0.000000       21.28320 
1 1 1 21  6  7  o 519.4005 21.40529 8052.648       650.6424 8052.648       650.6424 0.000000       0.000000 519.4005 21.40529 ?        ?        0.000000       21.40529 
1 1 1 21  6  8  f 267.8872 24.22771 2165.855       376.5297 2165.855       376.5297 0.000000       0.000000 267.8872 24.22771 ?        ?        0.000000       24.22771 
1 1 1 21  6  9  o 322.8065 22.15492 3126.083       416.8901 3126.083       416.8901 0.000000       0.000000 322.8065 22.15492 ?        ?        0.000000       22.15492 
1 1 1 21  6  10 o 86.14120 37.54541 -31.72571      356.3680 -31.72571      356.3680 0.000000       0.000000 86.14120 37.54541 ?        ?        0.000000       37.54541 
1 1 1 21  6  11 o 200.9110 30.96093 1255.073       353.1089 1255.073       353.1089 0.000000       0.000000 200.9110 30.96093 ?        ?        0.000000       30.96093 
1 1 1 21  6  12 o 205.5824 21.90442 1277.715       260.0374 1277.715       260.0374 0.000000       0.000000 205.5824 21.90442 ?        ?        0.000000       21.90442 
1 1 1 21  6  13 o 418.8419 18.28863 5227.591       448.1606 5227.591       448.1606 0.000000       0.000000 418.8419 18.28863 ?        ?        0.000000       18.28863 
1 1 1 21  6  14 o 228.0175 28.32233 1599.402       370.6067 1599.402       370.6067 0.000000       0.000000 228.0175 28.32233 ?        ?        0.000000       28.32233 
1 1 1 21  6  15 o 109.8782 36.60406 361.8572       276.2206 293.0774       474.7371 397.0587       339.6278 117.1023 46.43697 116.5181 40.55484 0.5842819      61.65295 
1 1 1 21  6  16 f 214.5636 21.18096 1388.868       263.0609 1398.896       339.1394 1373.720       416.8051 213.2549 27.77558 208.4114 35.36325 4.843460       44.96712 
1 1 1 21  6  17 o 282.3243 23.05626 2405.533       378.4361 2405.533       378.4361 0.000000       0.000000 282.3243 23.05626 ?        ?        0.000000       23.05626 
1 1 1 21  6  18 o 64.08408 29.82824 -227.9671      272.3029 -149.3136      360.6769 -332.2247      415.2534 80.18034 36.17857 78.89717 36.76054 1.283173       51.57737 
1 1 1 21  6  19 o 439.4980 13.02849 5710.427       335.4454 5431.735       466.1988 6009.607       483.0319 426.8062 18.66989 449.0890 18.37856 -22.28271      26.19802 
1 1 1 21  6  20 o 407.8014 12.86964 4917.260       307.4126 5311.534       448.7036 4568.490       422.0168 422.1412 18.16640 391.3490 18.43902 30.79218       25.88466 
1 1 1 21  6  21 o 283.0695 14.42618 2378.648       238.7044 2534.005       349.5971 2242.958       326.7207 290.3690 20.66400 273.1403 20.54640 17.22876       29.14027 
1 1 1 21  6  22 o 91.62225 31.65391 239.8589       206.7315 165.1564       314.5104 296.6885       274.3185 94.05297 37.63141 102.4882 36.38436 -8.435265      52.34448 
1 1 1 21  6  23 o 67.00857 29.01291 -11.40011      209.8909 62.29771       316.3874 -69.32852      280.5031 86.44676 36.46780 73.43817 32.60607 13.00859       48.91887 
1 1 1 21  6  24 o 338.8349 12.89142 3405.516       255.7094 3412.787       381.3565 3399.578       344.6746 336.7905 19.38922 336.9261 17.50312 -0.1356506     26.12090 
1 1 1 21  6  25 o 96.83384 31.01712 289.8892       199.2614 19.45301       302.4802 497.2239       264.8504 81.39330 35.03259 123.4614 34.98672 -42.06810      49.51115 
1 1 1 21  6  26 o 187.2213 18.21651 1060.657       197.4927 946.8278       294.4820 1153.702       266.2420 172.2295 30.25777 193.2293 24.01016 -20.99974      38.62669 
1 1 1 21  6  27 o 166.4964 21.03706 851.4485       200.8415 954.5114       301.3838 769.1178       269.3703 172.2635 30.97002 154.2941 30.84697 17.96933       43.71130 
1 1 1 21  6  28 o 190.0965 18.07553 1097.334       199.0966 1043.420       298.6761 1140.448       267.0938 180.5345 29.20594 191.2456 24.36597 -10.71109      38.03535 
1 1 1 21  6  29 o 198.7968 16.33960 1195.365       188.8228 1184.388       280.7843 1204.427       255.1273 193.8831 25.29614 196.9357 22.49215 -3.052643      33.84954 
1 1 1 21  6  30 o 209.9008 14.83553 1329.939       181.4515 1261.263       268.9940 1387.279       245.7947 200.2606 23.34023 211.9809 20.00753 -11.72035      30.74195 
1 1 1 21  6  31 o 141.5227 21.64119 634.4401       173.9233 771.1582       251.7039 509.5174       240.6011 152.0318 29.29189 121.2768 32.96899 30.75497       44.10181 
1 1 1 21  6  32 o 81.38485 27.37769 210.3567       154.4763 251.5449       225.8927 174.1745       211.7202 89.82017 32.86762 80.77475 31.31129 9.045418       45.39468 
1 1 1 21  6  33 o 182.9811 20.94145 1060.193       220.6880 0.000000       0.000000 1060.193       220.6880 ?        ?        182.9811 20.94145 0.000000       20.94145 
1 1 1 21  6  34 o 48.51862 22.17975 -69.28020      141.1201 -25.63727      198.7501 -113.6543      200.4080 61.25356 27.30586 55.86264 25.85922 5.390919       37.60731 
1 1 1 21  6  35 o 119.9029 21.65892 469.3828       146.7022 519.0458       220.1883 429.7400       196.7253 120.3375 31.00677 110.0929 29.76249 10.24466       42.97935 
1 1 1 21  6  36 o 55.06660 23.95180 8.438841       144.4006 270.0745       213.7754 -211.1129      195.8293 88.79597 32.04934 49.52658 23.70768 39.26939       39.86496 
1 1 1 21  6  37 o 118.9761 22.82301 472.6246       153.4600 424.6289       226.9038 513.0858       208.3337 106.3537 32.97157 119.1849 29.86790 -12.83112      44.48838 
1 1 1 21  6  38 o 58.89924 25.15705 40.43907       153.7783 164.2991       223.9996 -69.97284      211.4899 77.28587 31.45842 58.68308 26.94769 18.60279       41.42234 
1 1 1 21  6  39 o 182.6102 15.32190 1040.813       162.5806 1049.963       238.1743 1032.830       222.4752 176.4818 23.60270 176.5174 21.96413 -0.3564453E-01 32.24144 
1 1 1 21  6  40 o 94.23596 27.54183 322.5410       161.7524 541.5109       252.1572 169.4362       210.8499 116.2765 34.49573 76.00464 30.67196 40.27185       46.15977 
1 1 1 21  6  41 o 74.41437 28.12234 180.8141       167.9315 115.1519       249.5845 235.1309       227.0006 73.69484 31.77165 82.48972 32.29417 -8.794884      45.30288 
1 1 1 21  6  42 o 102.3714 28.71733 392.3478       179.3737 278.6195       272.9800 478.7656       237.9568 87.19061 34.99966 108.6970 33.77605 -21.50643      48.63947 
1 1 1 21  7  0  o 278.0423 15.38041 2291.365       249.8239 2432.683       319.3997 2068.663       400.9569 285.6877 19.17409 261.3554 26.52569 24.33224       32.73007 
1 1 1 21  7  1  o 109.1031 28.07191 371.4742       180.6543 334.9529       245.5409 414.5743       266.7413 106.0964 34.47080 116.1316 35.70507 -10.03526      49.62951 
1 1 1 21  7  2  o 357.0385 15.38965 3774.384       321.4944 3922.305       398.9456 3500.385       542.9675 363.1311 18.79665 340.2393 27.44330 22.89178       33.26332 
1 1 1 21  7  3  o 327.0094 15.60930 3168.509       298.4959 3435.108       382.5628 2753.626       477.2395 339.6130 19.28665 301.5405 27.28094 38.07248       33.40995 
1 1 1 21  7  4  o 343.7385 15.67951 3501.007       315.2579 3350.846       393.4454 3770.338       526.9261 335.1497 20.10931 353.7778 25.56871 -18.62808      32.52911 
1 1 1 21  7  5  o 169.8036 33.13501 904.9076       318.1272 904.9076       318.1272 0.000000       0.000000 169.8036 33.13501 ?        ?        0.000000       33.13501 
1 1 1 21  7  6  o 98.11549 37.14051 225.3582       293.1849 225.3582       293.1849 0.000000       0.000000 98.11549 37.14051 ?        ?        0.000000       37.14051 
1 1 1 21  7  7  o 243.7782 25.21801 1800.763       355.3425 1800.763       355.3425 0.000000       0.000000 243.7782 25.21801 ?        ?        0.000000       25.21801 
1 1 1 21  7  8  o 63.55122 30.54558 -464.0986      332.5957 -464.0986      332.5957 0.000000       0.000000 63.55122 30.54558 ?        ?        0.000000       30.54558 
1 1 1 21  7  9  o 282.3530 23.74221 2404.938       389.5167 2404.938       389.5167 0.000000       0.000000 282.3530 23.74221 ?        ?        0.000000       23.74221 
1 1 1 21  7  10 o 312.1989 23.91607 2940.395       434.5627 2940.395       434.5627 0.000000       0.000000 312.1989 23.91607 ?        ?        0.000000       23.91607 
1 1 1 21  7  11 o 275.0935 17.66565 2256.956       283.5038 2256.956       283.5038 0.000000       0.000000 275.0935 17.66565 ?        ?        0.000000       17.66565 
1 1 1 21  7  12 o 341.8482 15.39959 3468.256       307.9474 3468.256       307.9474 0.000000       0.000000 341.8482 15.39959 ?        ?        0.000000       15.39959 
1 1 1 21  7  13 o 487.5927 19.31792 7095.838       551.3251 7095.838       551.3251 0.000000       0.000000 487.5927 19.31792 ?        ?        0.000000       19.31792 
1 1 1 21  7  14 o 301.9740 17.69521 2719.646       312.0099 2719.646       312.0099 0.000000       0.000000 301.9740 17.69521 ?        ?        0.000000       17.69521 
1 1 1 21  7  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  7  16 o 405.0625 12.39933 4847.963       294.2111 5109.502       379.5859 4454.417       465.6285 414.9409 15.62607 385.6591 20.66207 29.28186       25.90551 
1 1 1 21  7  17 o 51.69290 25.47977 -573.9656      275.6973 -248.3476      375.7694 -953.6021      405.7432 77.46383 35.69842 59.85031 29.74838 17.61352       46.46873 
1 1 1 21  7  18 o 164.8831 30.66581 852.6976       285.6272 953.8541       372.8569 709.0221       444.3619 172.1427 37.95472 148.1042 46.17731 24.03845       59.77378 
1 1 1 21  7  19 o 169.4115 36.26639 919.4119       349.4543 919.4119       349.4543 0.000000       0.000000 169.4115 36.26639 ?        ?        0.000000       36.26639 
1 1 1 21  7  20 o 242.1993 17.24506 1751.779       243.3535 1618.168       328.0532 1915.269       362.8845 230.5553 24.64327 250.9036 24.99309 -20.34824      35.09908 
1 1 1 21  7  21 o 270.1723 14.70056 2169.100       232.0524 2515.295       334.0027 1846.067       322.6356 289.4952 19.79148 246.9317 22.52622 42.56343       29.98555 
1 1 1 21  7  22 o 106.9795 30.69988 361.2435       202.6638 335.4045       297.2997 383.6738       276.9962 107.6722 37.90952 111.6965 36.63323 -4.024292      52.71741 
1 1 1 21  7  23 o 77.66769 30.82463 112.3605       209.3440 72.23549       319.0432 142.6981       277.4164 87.29655 36.71165 88.11237 35.31267 -0.8158112     50.93849 
1 1 1 21  7  24 o 59.44520 27.13463 -119.0859      210.2020 265.4983       315.8783 -424.7436      281.6059 101.6520 38.53467 56.89613 27.53436 44.75587       47.36097 
1 1 1 21  7  25 o 283.6701 13.75472 2394.813       228.1494 2480.367       342.7148 2326.722       305.7448 286.1535 20.55830 277.8051 18.87800 8.348419       27.91098 
1 1 1 21  7  26 o 46.23631 22.41574 -299.8045      188.7865 -365.2366      284.1363 -248.0887      252.6055 59.22226 28.40413 59.32775 27.96807 -0.1054916     39.86236 
1 1 1 21  7  27 o 130.0966 27.25218 541.5244       201.2598 347.2942       304.1477 692.8194       268.4346 107.3372 38.28992 145.5353 32.29409 -38.19810      50.09018 
1 1 1 21  7  28 o 228.3888 15.70185 1568.789       209.0380 1422.825       327.8448 1668.783       271.3521 212.4010 26.92244 233.8194 19.97926 -21.41841      33.52594 
1 1 1 21  7  29 o 54.36166 24.78082 -89.89840      174.5599 -349.1219      264.8802 109.1132       232.0874 56.31907 27.11793 78.41759 31.98292 -22.09852      41.93196 
1 1 1 21  7  30 o 63.15570 26.54310 40.19268       166.6193 -98.16812      248.0851 153.8900       224.8895 65.08739 29.62056 81.05085 32.01783 -15.96346      43.61787 
1 1 1 21  7  31 o 48.13763 22.65641 -151.2683      164.5770 -218.7124      246.5135 -97.03490      221.0561 58.20620 27.49679 60.77643 27.77429 -2.570225      39.08305 
1 1 1 21  7  32 o 180.0933 15.53535 991.5430       162.4827 864.3097       234.6270 1108.790       225.2312 162.6789 25.42366 187.5915 20.82257 -24.91261      32.86247 
1 1 1 21  7  33 o 137.2212 20.05844 597.3760       156.6556 790.8154       245.9560 465.3386       203.2046 152.9498 28.46673 115.9055 29.74663 37.04427       41.17301 
1 1 1 21  7  34 o 51.02572 22.96747 -43.82985      144.3468 240.3657       219.5971 -260.0462      191.5412 86.95860 32.30316 47.04636 22.75332 39.91224       39.51212 
1 1 1 21  7  35 o 84.94560 26.29974 244.8510       144.4210 318.6466       223.0668 191.5945       189.4986 94.88998 32.87592 79.27368 29.89249 15.61630       44.43407 
1 1 1 21  7  36 o 117.1535 21.78121 451.8875       144.1469 303.0578       216.3454 570.7039       193.3041 92.48758 32.35619 128.9026 26.45714 -36.41505      41.79597 
1 1 1 21  7  37 o 138.2471 18.64353 611.3787       147.3099 582.8173       222.0582 633.8269       196.8649 126.7529 30.28640 136.0960 25.60396 -9.343102      39.65891 
1 1 1 21  7  38 o 112.9829 24.75969 440.3537       159.5215 247.7771       236.9178 600.0686       215.7589 85.59864 33.13828 128.8251 29.23020 -43.22643      44.18767 
1 1 1 21  7  39 o 133.0591 22.71476 596.1534       170.8993 648.1119       258.4639 555.7903       227.8051 128.9527 33.77914 120.9957 31.72107 7.956993       46.33850 
1 1 1 21  7  40 o 74.55448 27.31662 183.9596       156.1113 179.7360       232.9657 187.4018       210.3169 78.07465 31.96687 77.55070 30.85784 0.5239487      44.43069 
1 1 1 21  7  41 o 145.1550 20.41045 696.6118       168.9614 774.3765       244.0066 624.9778       234.1905 144.5552 29.77346 127.6677 31.47955 16.88757       43.32921 
1 1 1 21  7  42 o 46.03253 22.29104 -227.0732      185.3044 -388.5147      275.1746 -93.11749      250.6580 52.49698 25.79331 60.97207 28.45908 -8.475090      38.40852 
1 1 1 21  8  0  o 204.8793 17.11196 1251.582       203.7359 1173.979       252.5593 1396.173       344.7415 197.2477 22.21845 213.6257 28.20469 -16.37804      35.90492 
1 1 1 21  8  1  o 479.2128 12.07395 6771.990       339.0645 6863.553       545.3662 6714.298       432.8996 480.3286 19.39964 476.2976 15.51809 4.031006       24.84265 
1 1 1 21  8  2  o 405.8815 11.91976 4858.652       283.4305 5163.395       448.3696 4655.832       365.7840 416.8003 18.38772 396.4584 15.76316 20.34189       24.21952 
1 1 1 21  8  3  o 304.0914 18.93383 2755.783       335.9953 2755.783       335.9953 0.000000       0.000000 304.0914 18.93383 ?        ?        0.000000       18.93383 
1 1 1 21  8  4  o 226.2247 19.84248 1532.830       260.5978 1461.286       313.8001 1691.820       467.7916 219.5469 24.80499 232.8065 35.37305 -13.25967      43.20347 
1 1 1 21  8  5  o 335.0488 19.98777 3350.721       390.9708 3350.721       390.9708 0.000000       0.000000 335.0488 19.98777 ?        ?        0.000000       19.98777 
1 1 1 21  8  6  o 145.6457 34.25061 673.2874       287.6164 673.2874       287.6164 0.000000       0.000000 145.6457 34.25061 ?        ?        0.000000       34.25061 
1 1 1 21  8  7  o 73.24182 32.96647 -125.6101      297.3690 -125.6101      297.3690 0.000000       0.000000 73.24182 32.96647 ?        ?        0.000000       32.96647 
1 1 1 21  8  8  o 87.05619 36.80399 45.66103       323.3800 45.66103       323.3800 0.000000       0.000000 87.05619 36.80399 ?        ?        0.000000       36.80399 
1 1 1 21  8  9  o 358.8703 21.30296 3858.812       446.3438 3858.812       446.3438 0.000000       0.000000 358.8703 21.30296 ?        ?        0.000000       21.30296 
1 1 1 21  8  10 o 267.8873 26.91877 2187.653       417.1933 2187.653       417.1933 0.000000       0.000000 267.8873 26.91877 ?        ?        0.000000       26.91877 
1 1 1 21  8  11 o 364.6563 14.69171 3941.400       313.5571 3941.400       313.5571 0.000000       0.000000 364.6563 14.69171 ?        ?        0.000000       14.69171 
1 1 1 21  8  12 o 163.9575 27.66746 834.4299       256.5838 834.4299       256.5838 0.000000       0.000000 163.9575 27.66746 ?        ?        0.000000       27.66746 
1 1 1 21  8  13 o 504.2263 18.48354 7577.369       545.6645 7577.369       545.6645 0.000000       0.000000 504.2263 18.48354 ?        ?        0.000000       18.48354 
1 1 1 21  8  14 o 418.7913 19.33770 5238.535       473.6735 5238.535       473.6735 0.000000       0.000000 418.7913 19.33770 ?        ?        0.000000       19.33770 
1 1 1 21  8  15 o 219.4649 23.75780 1462.766       300.9188 1462.766       300.9188 0.000000       0.000000 219.4649 23.75780 ?        ?        0.000000       23.75780 
1 1 1 21  8  16 o 174.7771 31.01393 957.3372       306.2590 996.2000       486.3886 931.8075       394.2208 173.1816 46.79004 169.2863 40.29169 3.895370       61.74729 
1 1 1 21  8  17 o 43.35307 21.82168 -768.0297      252.3188 -625.6917      318.9709 -1006.015      412.4443 56.50924 27.76576 59.57063 29.67212 -3.061390      40.63708 
1 1 1 21  8  18 o 263.2304 18.81549 2072.827       288.5550 2005.307       385.5583 2158.801       435.0697 256.6079 25.97685 265.4087 28.39127 -8.800781      38.48196 
1 1 1 21  8  19 o 73.27792 31.47005 1.269024       243.0685 -102.7478      324.5381 134.1668       366.8366 77.90228 34.79902 97.39944 40.02224 -19.49716      53.03537 
1 1 1 21  8  20 o 204.4129 20.48556 1260.907       242.2817 1439.764       343.2563 1083.334       342.0233 216.1855 27.70964 185.3088 32.66401 30.87668       42.83411 
1 1 1 21  8  21 o 125.1698 39.86011 495.6078       329.4503 495.6078       329.4503 0.000000       0.000000 125.1698 39.86011 ?        ?        0.000000       39.86011 
1 1 1 21  8  22 o 54.90384 25.78452 -205.9855      211.1229 -469.3377      325.7233 -15.18853      277.2465 61.91958 29.87886 76.47384 33.22650 -14.55426      44.68497 
1 1 1 21  8  23 o 87.83450 31.86902 207.2567       211.7314 305.0697       331.4875 139.8514       275.1796 106.4024 39.65715 87.51103 35.13621 18.89141       52.98342 
1 1 1 21  8  24 o 106.1642 32.93729 356.2207       226.3846 540.6087       331.6815 195.4064       309.7543 128.4663 39.86996 95.14926 37.57981 33.31705       54.78919 
1 1 1 21  8  25 o 125.8793 27.99137 506.6691       201.3019 894.8879       284.6409 118.2154       284.7269 167.4816 30.08442 86.29826 35.33776 81.18336       46.40937 
1 1 1 21  8  26 o 158.1286 23.09410 775.3787       207.8542 875.6837       312.4696 695.7681       278.3761 163.7641 33.65984 145.7531 33.29726 18.01102       47.34652 
1 1 1 21  8  27 o 211.6668 17.69848 1355.174       217.6953 916.6465       321.8746 1724.887       295.5432 166.8488 34.04774 237.3555 21.46273 -70.50674      40.24795 
1 1 1 21  8  28 o 57.32030 25.86366 -74.64629      184.3275 -284.6389      298.8875 54.24131       234.1593 63.96939 30.23672 74.45699 31.38943 -10.48760      43.58389 
1 1 1 21  8  29 o 67.55586 27.30914 79.95594       167.4685 -11.89664      260.1519 144.9536       218.8417 72.41815 31.80810 80.10480 31.60295 -7.686653      44.83862 
1 1 1 21  8  30 o 68.07824 27.33232 90.23247       166.5077 363.3421       250.7449 -125.1957      222.6972 104.1855 34.87865 59.69955 27.50107 44.48596       44.41654 
1 1 1 21  8  31 o 146.3656 20.24562 674.0242       169.1397 657.0654       253.8529 687.5638       226.8223 137.9777 31.99384 143.7354 27.91386 -5.757660      42.45927 
1 1 1 21  8  32 o 83.56770 27.13028 227.4432       152.1165 158.4448       229.0335 281.9026       203.4775 80.37971 32.12913 92.15608 31.41823 -11.77637      44.93758 
1 1 1 21  8  33 o 169.4136 16.55861 886.3880       162.4234 709.9508       254.6914 1007.331       210.8673 142.5889 31.31509 178.3808 20.53025 -35.79190      37.44497 
1 1 1 21  8  34 o 49.65367 22.44182 -48.87329      139.4581 -284.2568      224.8119 98.36366       177.8033 51.27956 24.76387 68.76154 28.01292 -17.48198      37.38948 
1 1 1 21  8  35 o 53.35460 23.73132 -21.49521      149.2575 86.13873       252.3047 -79.44248      185.1259 74.69437 32.07012 55.03358 25.24975 19.66079       40.81719 
1 1 1 21  8  36 o 40.74541 19.82414 -230.1991      151.1948 -573.3903      223.5284 59.24166       205.2790 41.70094 20.92878 67.47127 28.94745 -25.77033      35.72070 
1 1 1 21  8  37 o 57.73710 24.95979 24.54186       154.8614 25.94018       226.8236 23.32096       211.9468 66.90450 29.53131 65.04259 28.63439 1.861916       41.13425 
1 1 1 21  8  38 o 159.3792 18.58916 814.5286       170.4983 878.6994       251.8208 760.2128       231.6787 157.4057 28.31969 146.4746 27.98965 10.93111       39.81740 
1 1 1 21  8  39 o 62.55404 26.14869 73.58253       160.3744 -298.9114      254.1640 319.9990       206.7233 53.45017 25.93557 92.41845 31.66378 -38.96828      40.92981 
1 1 1 21  8  40 o 70.91894 27.90515 147.8778       170.2262 237.7356       272.4970 90.37017       217.9949 84.51660 34.58499 69.49754 29.82391 15.01906       45.66823 
1 1 1 21  8  41 o 83.70798 29.07719 254.7301       174.5477 257.9368       261.9752 252.1702       234.0706 85.40562 34.28562 84.17740 32.84015 1.228218       47.47609 
1 1 1 21  8  42 o 53.37332 24.32476 -41.52263      168.0722 -411.9999      250.1648 263.2859       226.9128 48.66246 24.03942 84.57228 32.51284 -35.90982      40.43487 
1 1 1 21  9  0  o 201.7250 16.58144 1212.835       194.4398 1310.716       246.5457 1051.786       316.2474 208.9311 20.37949 184.2127 30.32671 24.71841       36.53811 
1 1 1 21  9  1  o 133.9582 24.20533 552.7147       183.1679 550.4753       223.8112 557.2569       318.7505 132.4902 29.55563 132.7482 38.62456 -0.2580261     48.63529 
1 1 1 21  9  2  o 279.3067 15.65136 2314.841       255.3544 2195.985       301.1990 2618.589       481.5034 271.2442 19.05524 293.3700 28.33783 -22.12576      34.14872 
1 1 1 21  9  3  o 146.8315 25.96994 665.5203       215.4557 704.6685       243.0885 522.0963       465.2854 150.4943 28.58688 134.0124 47.40397 16.48187       55.35653 
1 1 1 21  9  4  o 429.4521 19.16525 5492.089       481.4868 5492.089       481.4868 0.000000       0.000000 429.4521 19.16525 ?        ?        0.000000       19.16525 
1 1 1 21  9  5  o 203.4601 25.98221 1263.095       302.9669 1263.095       302.9669 0.000000       0.000000 203.4601 25.98221 ?        ?        0.000000       25.98221 
1 1 1 21  9  6  o 183.6534 28.84968 1042.646       300.5027 1042.646       300.5027 0.000000       0.000000 183.6534 28.84968 ?        ?        0.000000       28.84968 
1 1 1 21  9  7  o 302.1080 21.16199 2736.369       372.5752 2736.369       372.5752 0.000000       0.000000 302.1080 21.16199 ?        ?        0.000000       21.16199 
1 1 1 21  9  8  f 72.57586 33.27910 -199.8048      320.9587 -199.8048      320.9587 0.000000       0.000000 72.57586 33.27910 ?        ?        0.000000       33.27910 
1 1 1 21  9  9  o 129.7260 38.09767 535.3204       308.8573 535.3204       308.8573 0.000000       0.000000 129.7260 38.09767 ?        ?        0.000000       38.09767 
1 1 1 21  9  10 o 80.60078 33.34436 71.20454       256.9347 71.20454       256.9347 0.000000       0.000000 80.60078 33.34436 ?        ?        0.000000       33.34436 
1 1 1 21  9  11 o 261.6983 26.68136 2089.530       403.7831 2089.530       403.7831 0.000000       0.000000 261.6983 26.68136 ?        ?        0.000000       26.68136 
1 1 1 21  9  12 o 444.4867 19.13804 5897.664       497.7233 5897.664       497.7233 0.000000       0.000000 444.4867 19.13804 ?        ?        0.000000       19.13804 
1 1 1 21  9  13 f 332.7057 24.97979 3352.727       483.8566 3352.727       483.8566 0.000000       0.000000 332.7057 24.97979 ?        ?        0.000000       24.97979 
1 1 1 21  9  14 o 139.8718 32.77613 623.1798       264.1424 623.1798       264.1424 0.000000       0.000000 139.8718 32.77613 ?        ?        0.000000       32.77613 
1 1 1 21  9  15 o 344.3175 21.00804 3555.922       422.2050 3555.922       422.2050 0.000000       0.000000 344.3175 21.00804 ?        ?        0.000000       21.00804 
1 1 1 21  9  16 o 292.6656 15.49992 2544.611       265.0942 2600.154       332.1654 2447.172       439.9518 294.8069 19.31815 283.3797 26.78997 11.42712       33.02868 
1 1 1 21  9  17 o 319.7812 15.00201 3034.088       280.5695 3184.437       354.1324 2780.603       459.8244 326.6259 18.56334 302.4858 26.17749 24.14008       32.09141 
1 1 1 21  9  18 o 183.0038 23.72125 1021.621       248.6097 928.3710       310.0249 1189.611       416.1145 171.6986 31.96378 192.4828 38.20965 -20.78421      49.81627 
1 1 1 21  9  19 o 143.7107 29.09342 649.3265       236.7853 794.9673       329.7107 494.2088       340.2688 157.0902 36.48753 125.7542 40.55632 31.33604       54.55415 
1 1 1 21  9  20 o 263.9097 15.63216 2073.460       240.8657 2220.161       353.9317 1946.903       328.7334 271.0060 22.47027 253.7212 22.31933 17.28481       31.67121 
1 1 1 21  9  21 o 333.1666 13.06238 3288.581       254.7370 3169.034       376.0891 3389.916       346.2614 324.8824 19.83299 336.8818 17.58663 -11.99942      26.50730 
1 1 1 21  9  22 o 121.1945 30.69647 470.2503       218.3862 22.72362       346.7365 764.5090       281.1609 87.22498 37.52489 154.5632 32.06883 -67.33817      49.36120 
1 1 1 21  9  23 o 208.8700 30.33719 1374.629       360.7629 1374.629       360.7629 0.000000       0.000000 208.8700 30.33719 ?        ?        0.000000       30.33719 
1 1 1 21  9  24 o 61.62899 27.81507 -91.34187      213.3535 -122.0917      336.0081 -70.56883      276.1713 77.26897 34.88712 72.32862 32.21889 4.940346       47.48861 
1 1 1 21  9  25 o 263.8819 14.43754 2077.545       222.5848 1981.160       342.0970 2148.304       293.1142 254.2565 23.19698 266.7598 18.85705 -12.50336      29.89462 
1 1 1 21  9  26 f 117.3806 30.33917 447.4112       210.3645 539.6191       317.7402 375.4519       280.6929 127.3074 38.93710 109.3440 36.90502 17.96341       53.64772 
1 1 1 21  9  27 o 194.7428 19.39607 1156.950       218.5841 1164.292       335.2976 1151.524       288.2571 189.8474 31.19716 191.2308 26.40633 -1.383423      40.87245 
1 1 1 21  9  28 o 76.32582 28.95345 144.7286       178.3992 305.0565       286.0531 42.67605       228.2202 101.1846 36.99261 72.62718 30.82054 28.55746       48.14934 
1 1 1 21  9  29 o 118.8716 24.25370 454.7239       163.3531 488.8855       253.1319 430.3446       213.8394 119.5585 34.31022 113.2063 31.20605 6.352211       46.37897 
1 1 1 21  9  30 o 58.47625 25.19746 9.172988       156.8248 -45.48147      239.6585 50.10130       207.3919 66.74302 29.85274 69.39280 29.41137 -2.649780      41.90722 
1 1 1 21  9  31 o 137.0041 21.19978 596.5991       164.8436 905.5502       258.5009 384.8615       214.0012 165.3959 27.62287 105.6062 31.88468 59.78967       42.18597 
1 1 1 21  9  32 o 68.25877 26.36259 116.7096       149.6756 121.4281       230.4893 113.2690       196.8219 77.04620 31.69847 72.94060 29.56242 4.105598       43.34432 
1 1 1 21  9  33 o 154.7661 17.16447 744.5777       153.1797 791.8538       239.1090 711.6701       199.4911 153.2716 27.61573 147.5502 23.86785 5.721405       36.50072 
1 1 1 21  9  34 o 44.14944 20.98540 -154.7368      147.9089 -1.710309      233.5112 -257.2704      191.1426 67.04250 29.75902 46.95888 22.71551 20.08362       37.43786 
1 1 1 21  9  35 o 84.83675 27.23083 245.6622       153.5246 116.3492       232.9881 344.8975       204.1013 75.13881 31.47087 97.89465 31.39505 -22.75584      44.45295 
1 1 1 21  9  36 o 199.8148 13.98040 1224.942       162.7980 1147.520       253.7562 1279.098       212.2310 185.8858 23.82359 201.2026 18.18160 -15.31677      29.96888 
1 1 1 21  9  37 o 67.21924 28.70852 70.05640       200.2344 0.000000       0.000000 70.05640       200.2344 ?        ?        67.21924 28.70852 0.000000       28.70852 
1 1 1 21  9  38 o 73.49218 27.76094 168.8425       163.5994 -41.99172      246.1615 335.6414       218.9507 64.22253 29.33389 94.38789 32.57748 -30.16535      43.83799 
1 1 1 21  9  39 o 52.41350 24.03087 -61.63455      167.2882 88.11611       244.5920 -193.2563      229.3094 71.99004 31.24396 54.33210 25.91089 17.65794       40.59014 
1 1 1 21  9  40 o 109.6189 28.91334 447.0169       188.5207 551.0637       271.4296 350.0477       262.0354 114.8428 36.13165 94.06840 35.21886 20.77440       50.45656 
1 1 1 21  9  41 o 47.28878 22.50311 -153.5972      171.0478 -348.0247      275.6758 -31.89285      218.1086 53.95055 26.36273 60.79549 27.70841 -6.844944      38.24590 
1 1 1 21  10 0  o 206.5082 14.50606 1266.419       174.5685 1055.410       224.6793 1587.828       277.2948 187.1069 20.82756 229.9566 20.78524 -42.84972      29.42470 
1 1 1 21  10 1  o 490.6181 12.01283 7096.616       345.6523 7313.614       562.4667 6964.941       438.1479 495.5642 19.39034 484.9614 15.42466 10.60278       24.77711 
1 1 1 21  10 2  o 208.2425 15.29446 1289.545       185.4872 1309.351       250.5842 1265.541       275.8725 208.6442 20.75332 204.3867 23.43825 4.257477       31.30578 
1 1 1 21  10 3  o 216.8583 15.83753 1399.369       200.0365 1501.769       277.6476 1288.846       288.4504 223.3823 21.45667 206.0070 24.34451 17.37532       32.45063 
1 1 1 21  10 4  o 157.3410 29.10751 771.2460       258.7042 771.2460       258.7042 0.000000       0.000000 157.3410 29.10751 ?        ?        0.000000       29.10751 
1 1 1 21  10 5  o 127.8180 33.38952 518.2076       252.9941 518.2076       252.9941 0.000000       0.000000 127.8180 33.38952 ?        ?        0.000000       33.38952 
1 1 1 21  10 6  o 221.0955 25.04071 1486.864       318.9864 1486.864       318.9864 0.000000       0.000000 221.0955 25.04071 ?        ?        0.000000       25.04071 
1 1 1 21  10 7  o 258.7510 22.57075 2018.870       339.0894 2018.870       339.0894 0.000000       0.000000 258.7510 22.57075 ?        ?        0.000000       22.57075 
1 1 1 21  10 8  o 125.5814 38.23621 497.4194       306.8583 497.4194       306.8583 0.000000       0.000000 125.5814 38.23621 ?        ?        0.000000       38.23621 
1 1 1 21  10 9  o 104.1139 39.57313 260.9189       333.6707 260.9189       333.6707 0.000000       0.000000 104.1139 39.57313 ?        ?        0.000000       39.57313 
1 1 1 21  10 10 o 127.4845 41.46133 505.6685       355.1799 505.6685       355.1799 0.000000       0.000000 127.4845 41.46133 ?        ?        0.000000       41.46133 
1 1 1 21  10 11 o 82.71330 33.41306 107.1282       250.5014 107.1282       250.5014 0.000000       0.000000 82.71330 33.41306 ?        ?        0.000000       33.41306 
1 1 1 21  10 12 o 154.4857 40.70152 778.0807       373.8515 778.0807       373.8515 0.000000       0.000000 154.4857 40.70152 ?        ?        0.000000       40.70152 
1 1 1 21  10 13 o 79.17265 35.75175 -148.2479      353.0166 -148.2479      353.0166 0.000000       0.000000 79.17265 35.75175 ?        ?        0.000000       35.75175 
1 1 1 21  10 14 o 535.9224 19.01481 8566.500       596.6996 8566.500       596.6996 0.000000       0.000000 535.9224 19.01481 ?        ?        0.000000       19.01481 
1 1 1 21  10 15 o 276.9396 28.92957 2353.074       462.9476 2353.074       462.9476 0.000000       0.000000 276.9396 28.92957 ?        ?        0.000000       28.92957 
1 1 1 21  10 16 o 477.6272 15.60849 6766.896       436.6334 6766.896       436.6334 0.000000       0.000000 477.6272 15.60849 ?        ?        0.000000       15.60849 
1 1 1 21  10 17 o 388.5790 13.57057 4468.504       308.7883 4213.750       381.5193 4952.322       525.7703 376.2368 17.33700 406.0710 22.16118 -29.83420      28.13697 
1 1 1 21  10 18 o 224.2505 19.77502 1511.355       257.4146 1619.679       320.7565 1315.360       431.4543 230.9111 24.03679 202.7581 37.66957 28.15297       44.68516 
1 1 1 21  10 19 o 63.22815 28.21720 -73.23624      212.8492 -183.4863      286.2822 63.03892       318.2829 68.23244 31.34011 87.17924 36.66542 -18.94679      48.23439 
1 1 1 21  10 20 o 79.29663 32.01280 99.98475       229.7857 98.71765       357.3346 100.8782       300.0516 93.59862 39.07195 87.63666 36.12267 5.961960       53.21151 
1 1 1 21  10 21 o 125.0694 30.59142 499.7779       222.5038 443.1830       353.1142 537.0461       286.5474 120.4773 41.37990 128.8373 36.35104 -8.360054      55.07899 
1 1 1 21  10 22 o 220.6248 24.85431 1495.944       316.0036 0.000000       0.000000 1495.944       316.0036 ?        ?        220.6248 24.85431 0.000000       24.85431 
1 1 1 21  10 23 o 211.1304 18.87745 1346.681       231.2826 1568.124       364.9451 1198.044       298.9920 224.0534 28.41106 196.1850 26.67670 27.86847       38.97223 
1 1 1 21  10 24 o 364.3148 13.05213 3941.944       278.4238 3818.991       393.8420 4064.783       393.6595 356.1049 18.92588 367.7205 18.31137 -11.61566      26.33430 
1 1 1 21  10 25 o 138.3518 38.53617 641.6678       324.2314 641.6678       324.2314 0.000000       0.000000 138.3518 38.53617 ?        ?        0.000000       38.53617 
1 1 1 21  10 26 o 224.5565 17.77236 1523.817       232.1496 1668.498       362.7956 1423.500       302.0949 230.5694 27.36220 214.1786 24.48985 16.39085       36.72115 
1 1 1 21  10 27 o 83.33422 31.37231 179.4265       208.5352 74.95757       325.9490 251.8186       271.3325 86.42282 36.76000 95.59882 35.82863 -9.176003      51.33214 
1 1 1 21  10 28 o 131.4202 25.70975 555.1970       191.0571 1024.477       318.8529 292.3223       238.6429 176.0961 32.05433 97.12975 33.98252 78.96638       46.71501 
1 1 1 21  10 29 o 102.4508 27.35120 346.4945       167.4170 355.1104       253.0445 339.7871       223.2681 103.5795 35.04010 101.2655 32.86790 2.314003       48.04277 
1 1 1 21  10 30 o 111.5342 25.10384 408.8483       160.2349 501.9139       244.7774 339.0635       211.9614 119.8727 33.51787 100.1994 31.97926 19.67328       46.32624 
1 1 1 21  10 31 o 166.9972 17.01313 860.4055       164.3019 726.9587       247.1171 966.1358       219.9624 146.1986 29.83222 174.2902 22.00897 -28.09160      37.07231 
1 1 1 21  10 32 f 55.09414 24.12073 -6.671958      148.5173 -164.0984      230.2441 105.5045       194.3571 57.85050 27.09106 71.81142 29.27572 -13.96091      39.88726 
1 1 1 21  10 33 o 216.2754 13.24199 1418.184       167.1568 1352.250       258.1037 1465.817       219.3800 205.6076 21.73300 217.3782 17.35195 -11.77058      27.81031 
1 1 1 21  10 34 o 164.1598 16.19694 836.8152       153.9079 808.0237       245.6566 855.4189       197.4676 153.0390 28.41592 162.9142 21.16742 -9.875183      35.43338 
1 1 1 21  10 35 o 198.1290 14.31749 1204.764       165.2441 1332.333       255.2424 1112.717       216.8132 202.6889 21.81504 186.3937 20.15385 16.29521       29.69972 
1 1 1 21  10 36 o 215.1953 13.71727 1418.696       172.2202 1301.181       263.1773 1506.707       227.7568 198.6089 23.02015 218.5562 17.92618 -19.94731      29.17662 
1 1 1 21  10 37 o 75.19346 27.71485 181.3875       161.0828 119.9258       250.5049 224.7182       210.3351 75.53884 32.18158 82.36415 31.39238 -6.825310      44.95704 
1 1 1 21  10 38 o 74.91154 31.16578 142.2531       226.2373 0.000000       0.000000 142.2531       226.2373 ?        ?        74.91154 31.16578 0.000000       31.16578 
1 1 1 21  10 39 o 61.32066 26.54623 41.62776       175.6652 -206.4222      255.8549 262.8309       241.6127 57.07139 27.25923 86.11620 33.43025 -29.04482      43.13522 
1 1 1 21  10 40 o 134.4583 22.82476 615.1613       173.5593 334.4679       268.8811 815.6459       227.2399 92.39600 35.42480 151.7756 26.49214 -59.37963      44.23517 
1 1 1 21  10 41 o 109.4324 35.43842 499.8236       259.6415 610.9659       294.1922 108.2704       552.1880 118.6665 37.65257 87.97054 41.43384 30.69597       55.98642 
1 1 1 21  11 0  o 138.4409 20.96500 583.8296       164.8978 551.1082       192.6517 673.4898       318.9019 133.3049 25.57196 144.9581 37.29718 -11.65323      45.22173 
1 1 1 21  11 1  o 177.6226 18.36141 946.9497       188.5192 1068.963       229.0639 690.8295       331.8747 188.1714 21.12056 146.6453 38.20984 41.52611       43.65856 
1 1 1 21  11 2  f 370.1342 11.93738 4044.136       258.7918 3958.739       379.9429 4118.045       353.4637 364.7206 17.81655 372.4671 16.21992 -7.746521      24.09389 
1 1 1 21  11 3  o 503.2912 14.41041 7495.596       424.9117 7552.132       578.5356 7429.378       626.1122 503.2442 19.63972 498.3222 21.47395 4.922028       29.10067 
1 1 1 21  11 4  o 405.8201 18.25768 4904.382       433.4271 4904.382       433.4271 0.000000       0.000000 405.8201 18.25768 ?        ?        0.000000       18.25768 
1 1 1 21  11 5  o 196.5673 24.52201 1177.722       276.5635 1177.722       276.5635 0.000000       0.000000 196.5673 24.52201 ?        ?        0.000000       24.52201 
1 1 1 21  11 6  f 113.3255 34.49533 399.9588       249.7745 399.9588       249.7745 0.000000       0.000000 113.3255 34.49533 ?        ?        0.000000       34.49533 
1 1 1 21  11 7  o 130.4413 38.03482 542.6942       308.7963 542.6942       308.7963 0.000000       0.000000 130.4413 38.03482 ?        ?        0.000000       38.03482 
1 1 1 21  11 8  f 77.26545 34.04037 -58.12640      300.0423 -58.12640      300.0423 0.000000       0.000000 77.26545 34.04037 ?        ?        0.000000       34.04037 
1 1 1 21  11 9  o 156.3282 28.64699 763.2998       252.9677 763.2998       252.9677 0.000000       0.000000 156.3282 28.64699 ?        ?        0.000000       28.64699 
1 1 1 21  11 10 o 385.8264 20.33576 4457.456       458.5289 4457.456       458.5289 0.000000       0.000000 385.8264 20.33576 ?        ?        0.000000       20.33576 
1 1 1 21  11 11 o 582.0995 14.93913 10041.64       509.5819 10041.64       509.5819 0.000000       0.000000 582.0995 14.93913 ?        ?        0.000000       14.93913 
1 1 1 21  11 12 o 318.8058 16.04950 3022.068       299.1157 3022.068       299.1157 0.000000       0.000000 318.8058 16.04950 ?        ?        0.000000       16.04950 
1 1 1 21  11 13 o 320.6138 23.78984 3105.400       444.1388 3105.400       444.1388 0.000000       0.000000 320.6138 23.78984 ?        ?        0.000000       23.78984 
1 1 1 21  11 14 o 316.0519 25.29272 3028.639       464.9083 3028.639       464.9083 0.000000       0.000000 316.0519 25.29272 ?        ?        0.000000       25.29272 
1 1 1 21  11 15 o 452.5446 15.57505 6075.594       412.7562 6075.594       412.7562 0.000000       0.000000 452.5446 15.57505 ?        ?        0.000000       15.57505 
1 1 1 21  11 16 o 299.4276 26.66838 2729.438       463.4206 2729.438       463.4206 0.000000       0.000000 299.4276 26.66838 ?        ?        0.000000       26.66838 
1 1 1 21  11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  11 18 o 216.9186 18.93490 1412.732       238.4732 1436.597       293.2374 1366.122       409.8010 217.4603 23.35838 207.7249 34.87286 9.735397       41.97297 
1 1 1 21  11 19 f 191.8413 19.80305 1110.987       219.6064 997.1818       287.2921 1270.956       340.6120 178.9835 28.30960 202.0094 29.63038 -23.02589      40.98040 
1 1 1 21  11 20 o 187.7746 19.59272 1065.404       212.5947 1178.092       297.0865 947.1352       304.3538 195.2494 26.63831 173.1113 31.12203 22.13809       40.96560 
1 1 1 21  11 21 o 144.5496 27.26838 656.9470       222.6935 424.8725       352.4294 811.1956       287.3222 118.4724 41.30725 159.3512 31.85852 -40.87875      52.16564 
1 1 1 21  11 22 o 134.8325 30.35896 583.4919       234.2684 495.2778       362.5908 646.7027       306.9327 124.7774 41.94423 140.1410 36.85887 -15.36357      55.83810 
1 1 1 21  11 23 o 235.6668 17.19226 1668.703       235.9849 1811.520       345.7941 1544.208       322.8519 242.6276 24.64265 223.6688 25.04137 18.95874       35.13304 
1 1 1 21  11 24 o 202.2455 19.61047 1242.211       229.6884 806.0761       342.4762 1598.758       309.6548 155.3469 37.92612 228.0727 23.48551 -72.72574      44.60896 
1 1 1 21  11 25 o 261.0922 15.00182 2038.781       228.7473 2091.219       343.2944 1996.906       306.7729 261.2518 22.62853 256.1993 20.59009 5.052521       30.59415 
1 1 1 21  11 26 o 256.5402 22.45678 2023.134       334.4694 2023.134       334.4694 0.000000       0.000000 256.5402 22.45678 ?        ?        0.000000       22.45678 
1 1 1 21  11 27 o 182.5589 19.35660 1020.937       204.0901 943.7802       339.7401 1064.502       255.2862 167.4014 35.69537 184.3230 24.19944 -16.92168      43.12508 
1 1 1 21  11 28 o 108.3388 28.04422 386.6958       179.5610 507.7258       287.7012 309.4689       229.8157 121.2886 37.04209 98.31834 33.39191 22.97030       49.87119 
1 1 1 21  11 29 o 63.07907 26.86946 28.41823       174.5856 -219.2189      276.4881 192.6283       225.1482 62.64811 29.44845 84.52651 32.41401 -21.87840      43.79359 
1 1 1 21  11 30 o 64.99560 26.76589 67.61239       164.5417 89.66212       253.1199 51.47611       216.5341 77.34890 32.62352 70.26122 29.92618 7.087685       44.27043 
1 1 1 21  11 31 o 187.9106 15.81275 1081.878       172.6492 819.9681       269.0792 1265.158       225.0925 154.5092 30.77603 201.2573 19.30687 -46.74814      36.33069 
1 1 1 21  11 32 o 97.62634 27.31690 324.2778       162.5238 171.6048       282.6868 399.6585       198.6344 85.12861 35.07261 107.0110 30.29035 -21.88242      46.34213 
1 1 1 21  11 33 o 42.99189 20.47526 -156.1346      142.2045 -33.57421      239.9372 -222.4956      176.5545 65.93567 29.65072 46.06138 22.16885 19.87429       37.02192 
1 1 1 21  11 34 f 83.05205 26.75453 233.3187       148.1085 51.94084       243.2122 340.2277       186.7241 71.34161 31.05705 97.84654 29.83375 -26.50494      43.06499 
1 1 1 21  11 35 o 91.46554 27.36857 292.3978       158.1946 334.6882       247.2059 263.0688       205.8666 95.93715 34.48518 87.50134 31.46782 8.435814       46.68459 
1 1 1 21  11 36 o 56.63936 24.87499 4.699098       159.0644 -3.634591      248.9300 10.44999       206.7885 67.39827 30.26364 63.51926 28.10956 3.879013       41.30418 
1 1 1 21  11 37 o 110.6541 26.26730 431.1835       167.8987 418.5456       261.1194 440.0916       219.2263 102.9308 35.57424 107.5165 32.22921 -4.585670      48.00259 
1 1 1 21  11 38 o 67.52174 27.50679 111.6841       171.4285 -53.76817      257.2111 243.9195       229.9467 64.56049 29.67289 84.25653 32.63936 -19.69604      44.11132 
1 1 1 21  11 39 o 127.9088 25.96253 577.3131       188.0976 457.3899       289.4747 664.9509       247.4597 104.2027 37.33400 131.3788 32.33795 -27.17605      49.39201 
1 1 1 21  11 40 o 83.70450 29.70109 254.9624       182.7772 -132.7379      288.6127 514.5769       236.1738 63.35672 29.87585 113.4462 33.31412 -50.08949      44.74815 
1 1 1 21  11 41 o 48.76698 23.19078 -153.3177      181.0410 28.58470       267.2311 -307.6275      246.1299 69.02939 31.14469 51.49804 25.10868 17.53135       40.00547 
1 1 1 21  12 0  o 206.9452 13.93377 1271.537       168.1263 1293.529       218.3484 1239.508       263.4983 207.8672 18.09076 202.2883 22.59588 5.578873       28.94563 
1 1 1 21  12 1  o 175.7367 15.82933 922.2234       161.3990 712.2231       201.9271 1293.731       268.5769 152.5040 23.31628 206.7311 22.51534 -54.22717      32.41280 
1 1 1 21  12 2  o 121.0032 23.75796 453.8095       162.5792 453.0977       204.7928 455.0227       267.3623 119.8522 29.36888 120.1839 35.48630 -0.3316956     46.06310 
1 1 1 21  12 3  o 181.8995 19.04535 995.3707       200.1671 1064.804       242.1830 845.6876       355.5873 187.3047 22.49644 161.9263 38.08607 25.37839       44.23391 
1 1 1 21  12 4  o 56.25469 25.43611 -90.21078      179.3804 -29.55778      207.6226 -268.7732      356.2407 65.60432 28.62498 74.08246 34.35708 -8.478134      44.71911 
1 1 1 21  12 5  f 120.2597 33.66541 458.2302       246.7834 458.2302       246.7834 0.000000       0.000000 120.2597 33.66541 ?        ?        0.000000       33.66541 
1 1 1 21  12 6  f 89.74638 34.38676 180.9248       253.2442 180.9248       253.2442 0.000000       0.000000 89.74638 34.38676 ?        ?        0.000000       34.38676 
1 1 1 21  12 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  12 8  o 277.9084 21.40558 2323.819       346.1960 2323.819       346.1960 0.000000       0.000000 277.9084 21.40558 ?        ?        0.000000       21.40558 
1 1 1 21  12 9  o 112.1381 33.44692 394.0506       236.5559 394.0506       236.5559 0.000000       0.000000 112.1381 33.44692 ?        ?        0.000000       33.44692 
1 1 1 21  12 10 o 180.3295 23.75876 993.1582       245.1634 993.1582       245.1634 0.000000       0.000000 180.3295 23.75876 ?        ?        0.000000       23.75876 
1 1 1 21  12 11 o 416.4489 14.30504 5138.279       348.8639 5138.279       348.8639 0.000000       0.000000 416.4489 14.30504 ?        ?        0.000000       14.30504 
1 1 1 21  12 12 o 213.9474 21.74842 1383.627       269.0998 1383.627       269.0998 0.000000       0.000000 213.9474 21.74842 ?        ?        0.000000       21.74842 
1 1 1 21  12 13 o 541.6160 19.76229 8761.158       626.6870 8761.158       626.6870 0.000000       0.000000 541.6160 19.76229 ?        ?        0.000000       19.76229 
1 1 1 21  12 14 o 518.6968 19.79954 8035.509       601.2028 8035.509       601.2028 0.000000       0.000000 518.6968 19.79954 ?        ?        0.000000       19.79954 
1 1 1 21  12 15 o 378.6940 16.03210 4259.631       355.2596 4259.631       355.2596 0.000000       0.000000 378.6940 16.03210 ?        ?        0.000000       16.03210 
1 1 1 21  12 16 o 446.6075 12.41074 5893.304       324.7529 5914.301       405.9247 5855.969       541.2935 446.4548 15.52670 442.1321 20.93464 4.322693       26.06410 
1 1 1 21  12 17 o 172.3091 32.07253 936.9174       312.1855 1113.552       452.0449 775.8585       431.6547 184.0714 42.70229 153.5960 45.02015 30.47542       62.05079 
1 1 1 21  12 18 f 133.0137 29.80210 560.6833       226.7076 652.8929       278.5162 379.6234       390.2777 142.6555 33.80961 117.3289 43.15764 25.32658       54.82401 
1 1 1 21  12 19 o 237.0201 15.92749 1676.131       220.1174 1622.618       291.5299 1747.094       335.7107 231.4884 21.72752 239.3742 24.24725 -7.885834      32.55785 
1 1 1 21  12 20 o 220.1864 16.54897 1450.859       212.1398 1623.828       296.3224 1269.001       303.8409 231.2560 22.11765 202.7629 26.15995 28.49315       34.25687 
1 1 1 21  12 21 o 160.7022 22.33179 793.4935       204.7934 631.6409       293.0054 948.0795       286.3524 138.9168 35.75489 173.3843 29.19677 -34.46754      46.16128 
1 1 1 21  12 22 o 214.7586 17.15843 1386.420       214.3157 1283.388       294.9016 1501.744       311.9967 203.7021 25.22332 220.8649 24.49798 -17.16275      35.16201 
1 1 1 21  12 23 o 288.9814 14.99923 2493.021       253.3380 2107.494       373.3796 2821.913       344.8648 261.6858 24.61795 305.7513 19.33121 -44.06558      31.30078 
1 1 1 21  12 24 o 278.5587 14.51694 2316.024       236.3420 1960.181       347.3102 2622.917       322.5390 252.4771 23.73387 294.7983 18.75270 -42.32120      30.24831 
1 1 1 21  12 25 o 367.6428 12.61636 4017.462       271.6230 4115.336       418.2825 3946.095       357.1793 368.7455 19.40995 362.4577 16.84878 6.287872       25.70268 
1 1 1 21  12 26 o 57.97003 26.69826 -133.0918      209.7159 -493.6177      337.8714 92.85636       267.4776 61.74866 29.94835 81.50774 33.89690 -19.75908      45.23167 
1 1 1 21  12 27 o 68.92325 28.42736 67.05447       185.9848 66.71118       297.1493 67.27557       238.4708 82.21684 35.03899 75.64854 31.77169 6.568298       47.29874 
1 1 1 21  12 28 o 84.76774 35.08235 131.7035       284.5739 131.7035       284.5739 0.000000       0.000000 84.76774 35.08235 ?        ?        0.000000       35.08235 
1 1 1 21  12 29 o 57.12771 25.72299 -57.40152      181.2388 -441.8572      279.1168 222.8643       238.3130 54.39128 26.56701 88.10861 33.45450 -33.71733      42.72013 
1 1 1 21  12 30 o 74.48266 28.60699 145.3624       175.5536 -65.62950      268.0061 303.9298       232.3373 68.57690 31.04124 95.72792 33.52777 -27.15102      45.69103 
1 1 1 21  12 31 o 164.3460 18.44278 843.4344       174.6975 776.4340       296.7049 878.9872       216.1336 146.7356 34.97480 165.1940 22.92597 -18.45837      41.81910 
1 1 1 21  12 32 o 47.86561 22.32319 -113.8994      153.7129 102.2749       268.3208 -219.4990      187.5356 78.44934 33.35989 48.22472 23.11533 30.22462       40.58572 
1 1 1 21  12 33 o 115.3197 22.71899 438.9254       148.1857 369.3293       245.0409 479.0520       186.0638 100.9189 34.47644 117.8101 27.44194 -16.89117      44.06456 
1 1 1 21  12 34 o 114.8613 23.55114 441.8574       153.3179 443.3082       265.3474 441.1302       187.8486 107.8225 35.87526 111.7153 28.56350 -3.892776      45.85747 
1 1 1 21  12 35 o 71.22936 26.94125 149.2054       154.1970 20.89790       280.2100 204.9358       184.6730 72.33389 32.32178 79.78226 29.62595 -7.448364      43.84512 
1 1 1 21  12 36 o 66.71918 26.89956 107.6698       162.0068 270.1630       269.4856 15.70834       202.7313 88.93774 35.07518 63.23783 27.91564 25.69991       44.82802 
1 1 1 21  12 37 o 81.66718 28.50849 232.3314       167.8963 124.7961       272.7198 297.9632       213.0581 77.05071 33.21496 90.00836 32.05386 -12.95765      46.15932 
1 1 1 21  12 38 o 168.5419 18.14668 910.8659       176.5493 1108.520       276.3951 774.6392       229.4611 177.0733 27.50736 147.5780 27.52388 29.49533       38.91297 
1 1 1 21  12 39 o 88.74394 28.86529 290.8377       172.1500 91.49786       280.2418 411.6470       218.1655 74.37621 32.82734 102.3625 32.41769 -27.98628      46.13611 
1 1 1 21  12 40 o 57.22655 25.87514 -23.85104      185.6171 41.72960       289.8209 -69.45837      241.6903 71.91678 32.44209 61.33217 28.39352 10.58461       43.11242 
1 1 1 21  13 0  o 320.6742 16.54802 3059.372       310.1623 0.000000       0.000000 3059.372       310.1623 ?        ?        320.6742 16.54802 0.000000       16.54802 
1 1 1 21  13 1  o 173.1819 17.83350 900.7014       178.5433 940.0764       213.4804 809.0564       325.6881 176.1656 21.08070 158.8457 35.81794 17.31993       41.56105 
1 1 1 21  13 2  o 93.45203 28.07467 268.3993       166.2142 241.9732       194.0512 341.1985       322.0790 91.29876 30.68466 110.3341 39.39766 -19.03532      49.93720 
1 1 1 21  13 3  o 301.4672 23.51659 2745.203       412.4939 0.000000       0.000000 2745.203       412.4939 ?        ?        301.4672 23.51659 0.000000       23.51659 
1 1 1 21  13 4  o 104.2288 29.08434 340.3850       184.5062 477.5372       216.2928 -26.09866      353.5640 122.8048 30.23626 85.83528 37.40497 36.96947       48.09743 
1 1 1 21  13 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  13 6  o 131.2205 31.48715 547.2231       239.2189 547.2231       239.2189 0.000000       0.000000 131.2205 31.48715 ?        ?        0.000000       31.48715 
1 1 1 21  13 7  o 450.6028 19.25003 6064.494       507.5444 6064.494       507.5444 0.000000       0.000000 450.6028 19.25003 ?        ?        0.000000       19.25003 
1 1 1 21  13 8  o 366.0551 14.19134 3970.928       304.0862 3970.928       304.0862 0.000000       0.000000 366.0551 14.19134 ?        ?        0.000000       14.19134 
1 1 1 21  13 9  o 82.45148 33.67434 94.21085       257.7150 94.21085       257.7150 0.000000       0.000000 82.45148 33.67434 ?        ?        0.000000       33.67434 
1 1 1 21  13 10 o 214.2009 20.13407 1381.378       249.9659 1381.378       249.9659 0.000000       0.000000 214.2009 20.13407 ?        ?        0.000000       20.13407 
1 1 1 21  13 11 o 280.2781 21.78632 2365.662       355.3053 2365.662       355.3053 0.000000       0.000000 280.2781 21.78632 ?        ?        0.000000       21.78632 
1 1 1 21  13 12 o 279.7264 17.55263 2334.536       286.5044 2334.536       286.5044 0.000000       0.000000 279.7264 17.55263 ?        ?        0.000000       17.55263 
1 1 1 21  13 13 o 104.5246 41.16702 228.3461       370.7798 228.3461       370.7798 0.000000       0.000000 104.5246 41.16702 ?        ?        0.000000       41.16702 
1 1 1 21  13 14 o 337.7109 17.34907 3396.880       342.4631 3396.880       342.4631 0.000000       0.000000 337.7109 17.34907 ?        ?        0.000000       17.34907 
1 1 1 21  13 15 o 275.4948 27.91580 2323.549       444.8199 2323.549       444.8199 0.000000       0.000000 275.4948 27.91580 ?        ?        0.000000       27.91580 
1 1 1 21  13 16 o 390.2274 15.87011 4523.982       362.4442 4265.227       528.8302 4753.198       497.7293 375.6999 24.12829 397.9194 21.40668 -22.21948      32.25555 
1 1 1 21  13 17 o 47.83533 23.37700 -396.1436      216.9346 -276.2566      255.6507 -704.5028      410.0055 59.10037 27.94396 66.07365 32.25713 -6.973286      42.67772 
1 1 1 21  13 18 o 211.7141 18.60420 1347.298       228.6529 1266.182       281.2859 1505.309       392.5876 203.5364 24.02692 219.2335 31.43163 -15.69707      39.56312 
1 1 1 21  13 19 o 99.58785 32.00231 303.3236       211.9976 228.7637       274.0597 414.4081       334.5177 95.60194 35.97049 116.9824 40.27197 -21.38041      53.99729 
1 1 1 21  13 20 o 58.36905 26.82200 -137.6726      210.0197 -49.31748      290.0699 -235.0237      304.4791 75.76614 33.42120 67.91451 31.58753 7.851624       45.98640 
1 1 1 21  13 21 o 206.2784 17.73994 1281.494       212.5307 1065.509       287.9577 1539.926       314.9853 184.5419 27.43995 223.7930 24.39340 -39.25105      36.71497 
1 1 1 21  13 22 o 105.5055 31.65935 354.8229       211.4599 581.7847       288.2033 90.16155       311.2202 132.7985 36.07587 87.07795 36.41515 45.72051       51.25945 
1 1 1 21  13 23 o 209.9021 17.00355 1326.552       207.5276 1263.773       283.9573 1398.528       304.0485 202.0721 24.45763 212.5186 24.86414 -10.44658      34.87694 
1 1 1 21  13 24 o 123.5230 30.55803 496.4992       220.1411 319.3286       322.3241 651.3964       301.3829 105.7900 39.16637 139.6258 36.42776 -33.83587      53.48819 
1 1 1 21  13 25 o 339.8974 13.44133 3443.972       267.4136 3376.696       404.2024 3496.338       356.6126 332.7973 20.81366 340.3299 17.93003 -7.532593      27.47170 
1 1 1 21  13 26 o 151.9902 23.97945 727.8273       206.6711 820.4759       327.1924 666.3232       266.5851 155.2781 36.54145 141.4037 32.78505 13.87442       49.09315 
1 1 1 21  13 27 o 59.62726 26.53858 -42.92127      186.9687 -365.8414      318.2245 127.3170       231.0546 62.82199 30.11186 79.53648 32.10412 -16.71450      44.01589 
1 1 1 21  13 28 o 116.2557 26.41942 445.2423       176.0271 499.4634       305.7087 418.3493       215.2998 118.7947 38.45265 110.8570 31.58796 7.937744       49.76349 
1 1 1 21  13 29 o 38.15431 18.91016 -349.5207      159.4749 -89.21867      275.2957 -480.9872      195.6449 68.37969 31.15137 40.44630 20.19186 27.93340       37.12302 
1 1 1 21  13 30 o 64.15031 27.03671 49.13612       173.6421 12.53424       302.2417 67.16934       212.1482 76.65676 33.95044 70.61010 29.82841 6.046661       45.19255 
1 1 1 21  13 31 o 210.5752 14.41512 1350.158       176.9492 1145.292       296.8167 1463.112       220.3963 184.5624 28.32498 217.4270 17.42972 -32.86453      33.25808 
1 1 1 21  13 32 o 140.5414 19.97709 629.8880       160.0271 687.3265       293.8275 605.6656       190.8091 135.3582 36.27850 134.8104 25.05582 0.5477753      44.08995 
1 1 1 21  13 33 o 74.91121 27.45119 172.4101       157.6618 101.2490       266.7083 210.6344       195.4721 77.08868 33.03312 81.63151 30.44746 -4.542831      44.92477 
1 1 1 21  13 34 o 83.08548 26.64462 235.3443       147.0096 707.0697       274.1488 44.94912       174.1685 137.1807 34.19692 62.56858 26.74991 74.61208       43.41644 
1 1 1 21  13 35 o 126.7342 23.18779 537.9851       165.9978 772.6871       302.1363 436.5075       198.6688 140.4303 36.39151 109.4014 30.04786 31.02885       47.19339 
1 1 1 21  13 36 f 80.86597 28.48688 224.2376       167.8923 167.9165       288.4077 253.1072       206.4863 81.44803 34.60871 85.20426 31.38311 -3.756233      46.71897 
1 1 1 21  13 37 o 80.03880 28.20444 221.7772       164.5893 93.62675       271.4692 296.2646       206.9674 74.62643 32.64298 89.57489 31.62222 -14.94846      45.44809 
1 1 1 21  13 38 o 62.23912 26.16222 70.60280       161.9138 -18.22731      268.7686 121.2058       202.8555 67.36678 30.72456 70.90797 29.50667 -3.541191      42.59862 
1 1 1 21  13 39 o 39.56905 19.52210 -298.8521      163.1411 -217.5385      293.6503 -335.1542      196.2069 60.48915 28.97562 43.69994 21.53134 16.78920       36.09966 
1 1 1 21  13 40 o 47.14675 22.36078 -139.6833      166.1207 37.79435       271.6670 -245.6780      209.9458 70.09446 31.53315 48.99242 23.72496 21.10204       39.46155 
1 1 1 21  14 0  o 383.0843 13.11053 4341.792       294.1202 4575.175       383.1607 4007.008       458.9100 392.1889 16.69668 365.2574 21.51822 26.93146       27.23624 
1 1 1 21  14 1  o 274.9657 12.45927 2237.087       200.3972 2039.702       254.2772 2560.659       325.5633 261.5925 16.66075 292.5177 19.08138 -30.92523      25.33139 
1 1 1 21  14 2  o 261.3474 13.74545 2025.420       209.9414 1956.643       249.2256 2193.473       389.5801 256.1849 16.67846 268.6651 25.01225 -12.48026      30.06300 
1 1 1 21  14 3  o 266.9810 14.02737 2114.484       218.8673 2009.288       260.2079 2368.920       404.6794 259.4823 17.19567 279.2833 24.96990 -19.80103      30.31809 
1 1 1 21  14 4  o 179.3063 19.25200 969.1215       199.2850 784.5028       225.1577 1636.796       428.1848 159.5961 24.86536 228.7129 32.86462 -69.11679      41.21128 
1 1 1 21  14 5  o 173.4419 23.19925 918.5540       230.0692 918.5540       230.0692 0.000000       0.000000 173.4419 23.19925 ?        ?        0.000000       23.19925 
1 1 1 21  14 6  o 161.8421 25.68200 808.7324       235.6328 808.7324       235.6328 0.000000       0.000000 161.8421 25.68200 ?        ?        0.000000       25.68200 
1 1 1 21  14 7  o 356.6631 17.91892 3794.119       373.6174 3794.119       373.6174 0.000000       0.000000 356.6631 17.91892 ?        ?        0.000000       17.91892 
1 1 1 21  14 8  o 166.1987 23.07508 844.1824       218.8576 844.1824       218.8576 0.000000       0.000000 166.1987 23.07508 ?        ?        0.000000       23.07508 
1 1 1 21  14 9  o 229.5987 18.29762 1578.684       244.3482 1578.684       244.3482 0.000000       0.000000 229.5987 18.29762 ?        ?        0.000000       18.29762 
1 1 1 21  14 10 o 355.0652 24.80834 3815.955       513.3521 3815.955       513.3521 0.000000       0.000000 355.0652 24.80834 ?        ?        0.000000       24.80834 
1 1 1 21  14 11 o 254.9047 19.91688 1950.074       295.3864 1950.074       295.3864 0.000000       0.000000 254.9047 19.91688 ?        ?        0.000000       19.91688 
1 1 1 21  14 12 o 64.14458 30.47388 -358.7307      311.0996 -358.7307      311.0996 0.000000       0.000000 64.14458 30.47388 ?        ?        0.000000       30.47388 
1 1 1 21  14 13 o 425.5010 21.98740 5435.403       546.8263 5435.403       546.8263 0.000000       0.000000 425.5010 21.98740 ?        ?        0.000000       21.98740 
1 1 1 21  14 14 o 91.58662 38.51425 72.16225       351.1216 72.16225       351.1216 0.000000       0.000000 91.58662 38.51425 ?        ?        0.000000       38.51425 
1 1 1 21  14 15 o 335.2109 16.44525 3343.621       322.3157 3343.621       322.3157 0.000000       0.000000 335.2109 16.44525 ?        ?        0.000000       16.44525 
1 1 1 21  14 16 o 297.1019 17.73387 2636.308       307.5945 2568.862       412.4484 2720.831       461.7179 290.9225 24.39817 298.5005 26.65445 -7.578003      36.13489 
1 1 1 21  14 17 o 179.5665 21.48149 980.4056       221.7415 964.9278       254.7009 1028.869       450.6946 176.9486 25.25936 175.6687 43.87812 1.279984       50.62928 
1 1 1 21  14 18 o 142.7327 26.66606 638.0359       215.0138 516.5964       261.4512 891.7790       377.9267 126.5903 34.34875 164.5806 39.63069 -37.99028      52.44453 
1 1 1 21  14 19 o 243.1515 15.21060 1763.573       215.8206 1676.803       287.2572 1876.034       327.0287 235.2546 21.04202 248.3003 22.70846 -13.04575      30.95870 
1 1 1 21  14 20 o 70.54025 29.68567 37.25254       208.8402 -90.40743      288.8186 177.1398       302.3340 73.00410 32.70369 93.05759 37.00747 -20.05348      49.38708 
1 1 1 21  14 21 o 264.5229 14.32002 2085.715       221.3273 2198.484       311.4155 1970.616       314.6171 269.6281 19.83234 254.6193 21.26278 15.00888       29.07624 
1 1 1 21  14 22 o 169.8723 21.54607 886.1747       209.8331 944.4413       290.2725 822.4018       303.6789 172.1313 29.83442 158.7385 33.66495 13.39284       44.98246 
1 1 1 21  14 23 o 123.6336 28.29261 491.6740       200.6951 313.3946       268.6737 716.7289       301.8691 102.3746 36.03875 146.9999 35.43286 -44.62532      50.53988 
1 1 1 21  14 24 o 239.2005 15.61089 1717.636       217.8016 1444.859       295.0943 2044.045       322.8033 216.0245 23.67963 258.4506 21.49086 -42.42604      31.97783 
1 1 1 21  14 25 o 54.41008 25.64051 -204.9221      211.9634 -5.625227      326.8280 -349.6045      278.4690 81.37390 35.69962 58.51208 28.07821 22.86182       45.41859 
1 1 1 21  14 26 o 38.42703 19.32133 -565.8829      195.0218 -618.5826      329.2450 -537.3994      242.0540 56.64680 27.90676 46.68409 23.16541 9.962711       36.26876 
1 1 1 21  14 27 o 178.8738 17.63058 980.9588       182.5522 572.5115       306.0981 1206.426       227.4231 127.1196 38.07808 197.3988 19.91649 -70.27921      42.97216 
1 1 1 21  14 28 o 92.70170 29.06092 284.3446       175.7459 154.4292       292.7709 357.5305       219.7411 86.20353 35.62152 102.5217 32.54265 -16.31820      48.24849 
1 1 1 21  14 29 o 63.60959 26.62547 52.37826       166.6104 58.96278       300.6047 49.45865       200.1687 79.60109 34.59144 67.83511 28.82865 11.76598       45.02953 
1 1 1 21  14 30 o 80.83167 28.18736 206.5206       164.1109 137.3944       279.4724 242.9022       202.7488 82.50969 34.50651 87.12213 31.24121 -4.612442      46.54796 
1 1 1 21  14 31 o 114.5943 37.70304 492.6231       293.3179 492.6231       293.3179 0.000000       0.000000 114.5943 37.70304 ?        ?        0.000000       37.70304 
1 1 1 21  14 32 o 170.7297 16.34358 904.4748       161.6510 718.6082       296.5074 983.0836       192.8281 137.8724 36.21085 176.4482 18.92943 -38.57573      40.86011 
1 1 1 21  14 33 o 56.30556 24.42575 13.51988       149.3488 67.71634       252.0046 -15.82036      185.4193 73.14095 31.72884 59.31549 26.41234 13.82545       41.28354 
1 1 1 21  14 34 o 88.00263 27.63850 270.4579       158.8901 62.73156       287.7336 361.5921       190.5835 75.54926 33.30754 99.91412 30.07281 -24.36487      44.87501 
1 1 1 21  14 35 o 44.62045 21.38742 -180.9847      160.5339 -174.2788      294.5588 -183.8181      191.4680 63.59938 30.04834 49.69270 23.69231 13.90668       38.26523 
1 1 1 21  14 36 o 99.47545 26.83047 353.4403       160.0950 322.8474       280.9520 368.1506       194.8191 93.06750 36.07113 99.33665 30.50912 -6.269157      47.24334 
1 1 1 21  14 37 o 142.3060 21.06883 670.3366       170.5330 814.3552       276.7718 582.2015       216.5144 145.6240 33.15307 125.3878 29.87074 20.23621       44.62496 
1 1 1 21  14 38 o 151.1390 20.35592 753.0583       175.8506 570.3016       282.8999 868.1384       224.4896 116.0462 36.93483 158.2365 25.02117 -42.19027      44.61211 
1 1 1 21  14 39 o 54.52869 24.53845 -20.48455      164.6595 -53.48289      287.9394 -4.449872      200.7175 66.79218 30.94565 60.42681 27.15087 6.365376       41.16798 
1 1 1 21  14 40 o 75.74531 28.87099 193.0670       177.9097 580.7189       302.1782 -12.59748      220.1009 113.9710 38.29071 61.87037 28.05537 52.10068       47.46875 
1 1 1 21  15 0  o 271.9620 11.60358 2186.463       184.6510 1962.876       231.8108 2574.617       305.4301 256.8394 15.46097 293.6162 17.82096 -36.77673      23.59297 
1 1 1 21  15 1  o 117.0521 23.80513 426.3665       157.8467 662.0151       189.0789 -115.5069      286.7209 146.9133 22.67365 71.94064 32.37669 74.97266       39.52650 
1 1 1 21  15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  15 3  o 34.40722 17.21700 -401.4247      146.0025 -321.9111      159.3828 -816.2346      364.0367 39.91700 19.61594 57.62003 28.56009 -17.70304      34.64771 
1 1 1 21  15 4  o 347.6027 13.49577 3578.259       274.6032 3708.780       338.7034 3327.904       469.0903 353.0753 16.40174 331.5623 24.29212 21.51309       29.31083 
1 1 1 21  15 5  o 158.5852 20.54426 763.5667       186.5889 726.9769       209.1047 906.5496       413.3582 153.7437 23.97245 165.9978 42.33332 -12.25406      48.64965 
1 1 1 21  15 6  o 370.8222 17.01170 4094.333       368.9822 4094.333       368.9822 0.000000       0.000000 370.8222 17.01170 ?        ?        0.000000       17.01170 
1 1 1 21  15 7  o 58.54856 26.37463 -86.40022      190.7822 -86.40022      190.7822 0.000000       0.000000 58.54856 26.37463 ?        ?        0.000000       26.37463 
1 1 1 21  15 8  o 229.3862 21.22100 1587.045       282.2497 1587.045       282.2497 0.000000       0.000000 229.3862 21.22100 ?        ?        0.000000       21.22100 
1 1 1 21  15 9  o 233.5664 19.22164 1636.706       260.9723 1636.706       260.9723 0.000000       0.000000 233.5664 19.22164 ?        ?        0.000000       19.22164 
1 1 1 21  15 10 o 394.1721 22.09366 4668.886       508.7009 4668.886       508.7009 0.000000       0.000000 394.1721 22.09366 ?        ?        0.000000       22.09366 
1 1 1 21  15 11 o 138.1258 35.55094 612.4122       289.6743 612.4122       289.6743 0.000000       0.000000 138.1258 35.55094 ?        ?        0.000000       35.55094 
1 1 1 21  15 12 o 404.7596 24.32334 4946.666       574.7282 4946.666       574.7282 0.000000       0.000000 404.7596 24.32334 ?        ?        0.000000       24.32334 
1 1 1 21  15 13 o 393.9840 14.74725 4602.704       340.1519 4602.704       340.1519 0.000000       0.000000 393.9840 14.74725 ?        ?        0.000000       14.74725 
1 1 1 21  15 14 o 305.1343 16.96204 2774.833       302.3481 2774.833       302.3481 0.000000       0.000000 305.1343 16.96204 ?        ?        0.000000       16.96204 
1 1 1 21  15 15 o 155.6930 36.99055 785.1641       332.7373 785.1641       332.7373 0.000000       0.000000 155.6930 36.99055 ?        ?        0.000000       36.99055 
1 1 1 21  15 16 o 253.9910 15.53796 1921.956       230.3454 1812.257       266.3755 2247.180       458.6542 245.7619 18.61970 269.5043 29.49946 -23.74246      34.88426 
1 1 1 21  15 17 o 91.66402 31.96228 238.7668       211.0082 202.9023       240.3582 359.3054       440.6455 90.15424 33.73531 118.1620 45.33782 -28.00780      56.51185 
1 1 1 21  15 18 o 245.8488 15.63076 1804.295       224.2043 1737.968       276.5397 1931.519       382.9971 239.9811 19.82523 250.4082 26.48000 -10.42712      33.07915 
1 1 1 21  15 19 o 57.51964 26.25570 -112.8049      196.8054 71.47861       268.4691 -326.8733      289.3525 81.12751 33.86648 61.69679 29.33345 19.43072       44.80390 
1 1 1 21  15 20 o 349.3123 11.51632 3613.307       235.6048 3473.871       308.8602 3807.366       364.3691 341.1582 15.47705 356.3364 17.48878 -15.17825      23.35373 
1 1 1 21  15 21 o 69.80690 29.35932 39.19469       204.0788 -401.2115      290.4078 468.8677       286.8472 58.83385 28.34544 119.9382 37.05307 -61.10433      46.65184 
1 1 1 21  15 22 o 69.45003 28.97538 48.94500       196.3590 -60.03909      282.1222 151.3448       273.4672 73.47033 32.65562 87.55718 35.07056 -14.08685      47.92008 
1 1 1 21  15 23 o 246.5955 15.29967 1822.589       220.1777 1672.658       315.4570 1965.008       307.4539 232.8369 23.41913 253.7934 20.83955 -20.95648      31.34872 
1 1 1 21  15 24 o 318.7971 12.31493 3023.730       229.8154 3373.506       334.8143 2712.129       316.0158 334.5490 17.12145 299.4052 18.08122 35.14374       24.90130 
1 1 1 21  15 25 o 115.3785 28.28244 435.7600       189.8717 248.1333       280.2233 595.0154       258.1689 95.27134 36.25286 133.0953 33.18921 -37.82392      49.15072 
1 1 1 21  15 26 o 221.7216 14.05479 1479.174       181.8202 1397.813       274.1404 1543.070       242.9422 211.4194 22.45234 224.3614 18.63103 -12.94196      29.17572 
1 1 1 21  15 27 o 184.8494 17.86189 1051.536       191.2311 799.3059       313.9271 1200.354       241.1340 150.4928 36.04382 195.6997 21.35574 -45.20689      41.89540 
1 1 1 21  15 28 o 52.02893 23.81166 -83.35241      163.2648 -249.8677      305.3068 -16.66461      193.2113 64.49824 30.50851 61.74341 27.25429 2.754826       40.90924 
1 1 1 21  15 29 o 55.84665 24.86280 -30.68360      164.2182 248.1351       287.2577 -166.0420      200.1490 92.12269 36.24945 53.21302 25.02651 38.90967       44.04939 
1 1 1 21  15 30 o 114.1334 25.05382 434.6232       163.0934 399.4240       287.5619 451.3149       198.0230 105.4929 37.27118 114.0531 29.41361 -8.560165      47.47948 
1 1 1 21  15 31 o 78.95853 27.42991 200.1200       155.3327 -224.9808      289.5332 371.9244       184.0644 62.44289 29.58762 103.1165 29.14813 -40.67358      41.53361 
1 1 1 21  15 32 o 130.9170 22.03555 561.4661       163.1857 288.7945       287.5981 690.9370       198.1765 93.04675 36.37253 143.9502 24.34093 -50.90348      43.76576 
1 1 1 21  15 33 o 95.97858 36.83633 328.9195       290.9392 328.9195       290.9392 0.000000       0.000000 95.97858 36.83633 ?        ?        0.000000       36.83633 
1 1 1 21  15 34 o 82.92089 27.55031 236.7404       156.4995 -185.7473      283.9910 420.9965       187.5464 62.20372 29.42349 108.0941 28.98957 -45.89042      41.30541 
1 1 1 21  15 35 o 98.71172 26.64145 346.0074       157.7867 50.15992       277.8148 486.8831       191.7077 72.96474 32.41961 116.2222 28.37618 -43.25748      43.08409 
1 1 1 21  15 36 f 44.62851 21.34034 -166.3133      157.7627 -62.43446      281.4101 -213.9252      190.5170 66.59872 30.76326 47.82330 23.01987 18.77542       38.42255 
1 1 1 21  15 37 o 63.10368 29.82401 -154.1198      290.6241 -154.1198      290.6241 0.000000       0.000000 63.10368 29.82401 ?        ?        0.000000       29.82401 
1 1 1 21  15 38 o 183.5885 16.06585 1065.075       171.2401 935.7446       315.3982 1119.134       203.9116 151.5946 36.01189 185.6333 18.99755 -34.03864      40.71564 
1 1 1 21  15 39 o 129.9921 24.36048 588.5250       178.8955 457.0606       301.9205 659.6519       222.0781 102.5693 37.91871 133.2716 29.22008 -30.70227      47.87109 
1 1 1 21  16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  16 1  o 252.6677 26.77558 1954.521       390.7389 0.000000       0.000000 1954.521       390.7389 ?        ?        252.6677 26.77558 0.000000       26.77558 
1 1 1 21  16 2  o 254.8662 14.02784 1928.052       208.8697 2029.866       242.5031 1635.466       411.0924 261.0838 15.91309 229.0788 31.42623 32.00493       35.22548 
1 1 1 21  16 3  o 162.9656 18.03523 799.7747       169.4912 916.4094       189.8976 342.9057       375.8387 174.3693 18.86975 113.6093 42.24941 60.76000       46.27180 
1 1 1 21  16 4  o 213.7384 35.61007 1449.297       430.6839 0.000000       0.000000 1449.297       430.6839 ?        ?        213.7384 35.61007 0.000000       35.61007 
1 1 1 21  16 5  o 94.94525 28.23855 278.5792       168.8065 342.1959       185.3431 -30.96100      408.8365 104.4146 29.15539 91.65462 40.07615 12.75995       49.55940 
1 1 1 21  16 6  o 55.27071 25.34679 -123.4586      186.2586 -123.4586      186.2586 0.000000       0.000000 55.27071 25.34679 ?        ?        0.000000       25.34679 
1 1 1 21  16 7  o 163.3781 21.49294 811.9084       200.9498 811.9084       200.9498 0.000000       0.000000 163.3781 21.49294 ?        ?        0.000000       21.49294 
1 1 1 21  16 8  o 49.04708 23.58156 -284.4837      198.5832 -284.4837      198.5832 0.000000       0.000000 49.04708 23.58156 ?        ?        0.000000       23.58156 
1 1 1 21  16 9  o 57.98329 26.89686 -175.7218      218.5169 -175.7218      218.5169 0.000000       0.000000 57.98329 26.89686 ?        ?        0.000000       26.89686 
1 1 1 21  16 10 o 180.6541 24.95526 1000.402       257.3449 1000.402       257.3449 0.000000       0.000000 180.6541 24.95526 ?        ?        0.000000       24.95526 
1 1 1 21  16 11 o 406.7407 25.60675 5012.554       607.7333 5012.554       607.7333 0.000000       0.000000 406.7407 25.60675 ?        ?        0.000000       25.60675 
1 1 1 21  16 12 o 247.6771 35.91453 1936.479       506.4814 1936.479       506.4814 0.000000       0.000000 247.6771 35.91453 ?        ?        0.000000       35.91453 
1 1 1 21  16 13 o 108.8046 36.68195 353.3934       277.3102 353.3934       277.3102 0.000000       0.000000 108.8046 36.68195 ?        ?        0.000000       36.68195 
1 1 1 21  16 14 o 224.7691 25.66785 1546.967       332.2996 1546.967       332.2996 0.000000       0.000000 224.7691 25.66785 ?        ?        0.000000       25.66785 
1 1 1 21  16 15 o 136.1779 31.46947 592.4835       246.2875 592.4835       246.2875 0.000000       0.000000 136.1779 31.46947 ?        ?        0.000000       31.46947 
1 1 1 21  16 16 o 445.5226 11.47907 5865.906       299.6851 5575.563       351.8392 6633.309       572.0051 433.5815 13.85418 469.6958 20.81675 -36.11432      25.00550 
1 1 1 21  16 17 o 245.1134 16.02685 1795.293       229.1274 1888.195       266.6469 1533.093       447.9639 250.7157 18.25963 218.2124 36.27679 32.50322       40.61305 
1 1 1 21  16 18 o 78.70515 30.48771 134.8599       200.6233 235.7019       238.8762 -106.5649      369.6095 92.97566 33.83335 82.25214 36.90966 10.72353       50.07014 
1 1 1 21  16 19 o 144.0379 24.42890 647.6627       198.9968 626.1207       262.0808 676.9907       305.7979 138.7476 32.73948 143.1555 36.35943 -4.407852      48.92731 
1 1 1 21  16 20 o 100.9242 30.32551 323.3141       193.9202 175.0355       259.3042 511.4796       292.1059 88.43428 34.54648 124.6871 37.16169 -36.25279      50.73904 
1 1 1 21  16 21 o 127.4144 26.13962 515.7809       188.7734 715.7924       271.9502 329.7889       262.2460 148.2693 32.19853 103.8603 35.66083 44.40897       48.04623 
1 1 1 21  16 22 o 158.7317 20.99323 775.7943       190.6443 695.7076       281.6979 843.4733       258.9588 145.1949 33.72763 162.7502 28.14884 -17.55530      43.93074 
1 1 1 21  16 23 o 280.4354 13.41769 2346.535       220.0389 1940.302       312.2556 2747.229       310.1195 251.5956 21.36382 301.6579 17.60580 -50.06227      27.68351 
1 1 1 21  16 24 o 70.04444 28.55393 78.67793       184.8802 -109.5846      283.7581 217.5478       243.7083 70.05119 31.80066 89.89040 33.89876 -19.83921      46.48018 
1 1 1 21  16 25 o 97.06971 28.83846 308.1993       176.1324 387.6938       267.0357 246.9829       234.3336 108.0021 35.99062 91.55840 33.48046 16.44366       49.15553 
1 1 1 21  16 26 o 59.34679 25.68114 4.158821       164.2668 110.0066       254.4368 -71.49185      215.1025 79.81204 33.11472 61.72808 27.88786 18.08396       43.29338 
1 1 1 21  16 27 o 146.8521 19.25986 674.4211       161.8819 804.3168       251.3818 582.3885       211.5959 155.2207 28.67015 131.8114 28.22294 23.40932       40.23073 
1 1 1 21  16 28 o 256.1835 11.76744 1968.840       176.3284 1863.785       271.1788 2045.793       232.0911 244.8455 19.03425 259.1366 15.34005 -14.29103      24.44626 
1 1 1 21  16 29 o 45.02023 21.40046 -164.1311      153.8585 -84.60113      306.2230 -190.9880      177.9508 71.38306 32.64726 48.05475 22.89159 23.32831       39.87315 
1 1 1 21  16 30 o 212.2667 13.93901 1371.326       172.5657 999.9543       326.2295 1515.612       203.3438 166.3019 34.57733 222.1194 15.71105 -55.81757      37.97932 
1 1 1 21  16 31 o 44.00095 21.14774 -197.7824      159.3747 -317.5411      308.5175 -154.1913      186.1337 60.87488 29.30013 50.94936 24.01514 9.925522       37.88436 
1 1 1 21  16 32 o 242.8150 12.95537 1793.065       183.8235 1747.134       321.8390 1815.305       223.9471 229.7839 24.24706 242.1899 15.85379 -12.40602      28.97003 
1 1 1 21  16 33 o 92.96030 26.67991 302.5050       153.0550 343.0745       273.1321 283.9341       184.7949 96.49442 35.99110 89.55178 29.94192 6.942642       46.81749 
1 1 1 21  16 34 o 55.96696 24.38935 13.68680       150.3213 -24.88247      275.1347 30.09898       179.4766 68.63206 31.21807 61.42978 26.71137 7.202282       41.08607 
1 1 1 21  16 35 f 53.79442 24.40508 -42.66286      166.7969 -371.0657      262.5574 179.5557       215.9787 52.20084 25.55434 77.70962 31.15308 -25.50878      40.29316 
1 1 1 21  16 36 o 87.34021 26.87039 273.2614       151.0401 109.9023       279.2533 340.8121       179.5733 76.04342 33.18842 95.88551 29.26108 -19.84209      44.24570 
1 1 1 21  16 37 o 183.8085 15.64437 1062.231       167.0442 742.4085       313.1775 1189.400       197.4815 131.4991 38.29239 192.8287 17.65824 -61.32954      42.16777 
1 1 1 21  16 38 o 63.39008 26.74778 77.27804       170.2734 514.4510       325.5809 -87.31071      199.7710 106.8895 39.40113 55.13712 25.62474 51.75235       47.00081 
1 1 1 21  16 39 o 59.24501 26.28349 14.19912       181.9055 80.79355       294.6165 -26.82891      231.2482 73.99421 33.09735 62.24009 28.42956 11.75412       43.63112 
1 1 1 21  17 0  o 237.8170 13.74992 1678.705       190.9580 1519.519       214.5811 2284.620       418.6440 225.6529 16.32473 273.5009 26.42856 -47.84793      31.06389 
1 1 1 21  17 1  o 285.7055 13.36789 2418.888       223.3707 2547.513       260.7148 2063.883       433.1315 292.7683 15.23661 258.7919 29.03796 33.97638       32.79264 
1 1 1 21  17 2  o 436.4435 13.73342 5640.408       351.0883 5916.197       452.4114 5222.851       556.6763 445.7217 17.33998 416.3754 22.88444 29.34628       28.71189 
1 1 1 21  17 3  o 54.48226 23.60174 -14.14676      139.0461 -13.64664      148.6931 -17.63007      392.4216 56.42408 24.42492 90.57076 39.43860 -34.14667      46.38943 
1 1 1 21  17 4  o 186.8434 17.13547 1045.902       185.6802 1200.482       205.0055 340.0227       438.0808 200.1568 17.64449 117.5138 45.17581 82.64306       48.49930 
1 1 1 21  17 5  o 163.8896 19.98693 813.1773       188.1402 960.2440       207.9147 148.4941       442.0134 178.2128 20.25154 105.1702 43.64215 73.04257       48.11197 
1 1 1 21  17 6  o 50.74070 23.57339 -142.4737      168.8413 -142.4737      168.8413 0.000000       0.000000 50.74070 23.57339 ?        ?        0.000000       23.57339 
1 1 1 21  17 7  o 158.4354 22.59138 767.0198       203.9770 767.0198       203.9770 0.000000       0.000000 158.4354 22.59138 ?        ?        0.000000       22.59138 
1 1 1 21  17 8  o 246.5351 17.27543 1814.727       248.1994 1814.727       248.1994 0.000000       0.000000 246.5351 17.27543 ?        ?        0.000000       17.27543 
1 1 1 21  17 9  o 344.9908 29.42233 3649.926       589.6232 3649.926       589.6232 0.000000       0.000000 344.9908 29.42233 ?        ?        0.000000       29.42233 
1 1 1 21  17 10 o 257.5997 16.66969 1978.566       250.4870 1978.566       250.4870 0.000000       0.000000 257.5997 16.66969 ?        ?        0.000000       16.66969 
1 1 1 21  17 11 o 299.1897 15.94791 2663.349       278.8233 2663.349       278.8233 0.000000       0.000000 299.1897 15.94791 ?        ?        0.000000       15.94791 
1 1 1 21  17 12 o 254.9086 17.17662 1940.842       255.2876 1940.842       255.2876 0.000000       0.000000 254.9086 17.17662 ?        ?        0.000000       17.17662 
1 1 1 21  17 13 o 240.9095 21.38921 1753.679       299.0653 1753.679       299.0653 0.000000       0.000000 240.9095 21.38921 ?        ?        0.000000       21.38921 
1 1 1 21  17 14 o 110.4423 33.14249 384.7175       231.7319 384.7175       231.7319 0.000000       0.000000 110.4423 33.14249 ?        ?        0.000000       33.14249 
1 1 1 21  17 15 o 80.90413 31.73653 132.1740       219.5968 132.1740       219.5968 0.000000       0.000000 80.90413 31.73653 ?        ?        0.000000       31.73653 
1 1 1 21  17 16 o 107.0845 31.52571 363.6788       211.2710 444.4350       240.0885 86.55318       444.7561 117.5652 33.30946 100.5346 42.85708 17.03066       54.27937 
1 1 1 21  17 17 o 73.04604 30.17919 64.20466       210.0944 253.2866       239.5623 -565.6627      437.2382 94.87197 33.96645 72.50687 34.89426 22.36510       48.69630 
1 1 1 21  17 18 o 157.6851 22.89119 768.3537       205.5139 763.9742       252.7946 776.8898       352.9293 155.0398 28.86375 152.3298 39.25867 2.710007       48.72740 
1 1 1 21  17 19 o 165.7783 20.27464 840.1541       193.0229 972.0730       252.3666 654.1984       299.6285 176.7213 25.05091 140.4830 36.15609 36.23836       43.98648 
1 1 1 21  17 20 o 266.1933 13.34603 2109.925       207.6885 2146.284       280.1180 2065.535       309.5080 266.8385 18.00495 260.7474 20.40190 6.091125       27.21059 
1 1 1 21  17 21 o 170.7010 19.83137 890.9968       194.8448 1206.096       277.3568 583.9671       273.7824 196.9792 24.53932 132.6246 34.77773 64.35458       42.56370 
1 1 1 21  17 22 o 201.2511 17.15418 1225.168       200.5409 1148.148       290.1198 1295.642       277.5151 190.7526 26.66040 204.3094 23.59341 -13.55678      35.60093 
1 1 1 21  17 23 o 146.0302 22.27277 666.5901       184.7233 575.2192       265.2066 752.6896       257.4427 130.7585 34.19974 151.9059 29.96213 -21.14734      45.46814 
1 1 1 21  17 24 o 181.0656 16.76805 997.4119       176.0386 795.5800       262.7959 1161.697       237.0953 155.5569 29.89161 193.5092 21.24027 -37.95230      36.66957 
1 1 1 21  17 25 o 50.52465 23.12461 -85.15276      154.0100 -229.1658      235.5589 22.36926       203.5388 56.40696 26.71583 66.84701 28.75415 -10.44004      39.24967 
1 1 1 21  17 26 o 55.88288 24.44065 -9.467863      152.1345 66.48234       240.6306 -60.04190      196.3587 74.42414 31.61781 59.31422 26.73508 15.10992       41.40593 
1 1 1 21  17 27 o 59.77394 24.89278 46.58987       144.5369 93.85353       234.6998 17.71322       183.4520 75.46382 31.59520 62.89738 27.17839 12.56644       41.67640 
1 1 1 21  17 28 o 143.1815 18.07151 640.8652       148.3773 796.6727       251.3251 557.5029       183.8343 153.0973 29.05346 129.8440 25.04856 23.25331       38.36057 
1 1 1 21  17 29 o 186.0213 14.21564 1055.040       153.9137 788.0635       253.8406 1210.260       193.5521 151.2807 29.67122 197.8224 16.84293 -46.54167      34.11840 
1 1 1 21  17 30 o 60.44523 24.88894 62.43522       142.2510 -51.98391      309.5515 93.06640       160.1642 72.47074 33.02190 66.05547 26.70538 6.415268       42.46909 
1 1 1 21  17 31 o 105.0496 23.92183 372.4305       144.0693 249.0956       300.0759 409.3759       164.2360 90.04090 36.49887 109.0489 26.04012 -19.00804      44.83587 
1 1 1 21  17 32 o 77.32429 26.66595 197.1009       146.6873 117.4783       286.6460 225.3497       170.7368 79.12057 34.07935 81.90738 28.73739 -2.786804      44.57847 
1 1 1 21  17 33 o 82.55701 26.63926 235.1141       146.7951 716.9413       280.2111 52.86212       172.3359 136.3054 34.90451 62.63519 26.68859 73.67017       43.93866 
1 1 1 21  17 34 o 121.7050 22.85695 499.5100       157.1569 669.7255       265.7952 408.0162       194.8694 131.2796 34.18936 104.8901 30.10481 26.38947       45.55450 
1 1 1 21  17 35 o 92.55964 27.93076 311.5508       164.2481 327.3028       255.1262 300.4007       214.6470 92.69820 34.74203 89.88882 32.15521 2.809380       47.33885 
1 1 1 21  17 36 o 53.74532 23.91203 -8.828459      151.6510 -40.66024      266.2462 6.458304       184.5060 65.87138 30.24380 59.54827 26.44145 6.323109       40.17260 
1 1 1 21  17 37 o 61.24060 25.32836 79.60381       148.1951 155.7714       275.8158 48.69088       175.7131 77.98537 33.50783 61.49407 26.58554 16.49130       42.77342 
1 1 1 21  17 38 o 66.37412 26.45346 121.5117       154.8095 -71.59324      279.7018 206.7926       185.8765 65.01656 30.25163 77.79601 29.54403 -12.77946      42.28488 
1 1 1 21  18 0  o 194.0587 15.09026 1122.590       170.3945 1106.755       188.4986 1193.353       398.4663 192.2827 16.88676 193.1156 36.51975 -0.8328552     40.23500 
1 1 1 21  18 1  o 65.18392 25.29839 84.39328       138.3400 95.28526       146.4364 -6.013946      421.8880 67.73919 26.09854 94.32732 40.98541 -26.58813      48.58949 
1 1 1 21  18 2  o 111.9639 23.20591 389.9119       147.3699 486.4886       156.9383 -330.4268      428.6090 125.6600 22.10173 80.32877 37.40052 45.33119       43.44290 
1 1 1 21  18 3  o 143.0119 47.38691 652.1021       463.0753 0.000000       0.000000 652.1021       463.0753 ?        ?        143.0119 47.38691 0.000000       47.38691 
1 1 1 21  18 4  o 172.3450 19.11629 895.8568       189.9746 846.7893       207.1154 1156.031       476.9222 166.8378 21.67961 186.9990 44.19159 -20.16127      49.22298 
1 1 1 21  18 5  o 220.9270 26.66399 1496.794       338.5020 833.4753       484.5120 2129.285       473.1196 158.6659 47.99170 262.0086 31.41531 -103.3428      57.35962 
1 1 1 21  18 6  o 322.0068 12.46104 3066.564       234.8819 2981.503       261.4877 3421.906       534.4532 317.1261 14.09468 334.8865 27.45283 -17.76044      30.85965 
1 1 1 21  18 7  o 220.2426 16.57050 1448.159       212.4667 1448.159       212.4667 0.000000       0.000000 220.2426 16.57050 ?        ?        0.000000       16.57050 
1 1 1 21  18 8  o 327.5448 14.11391 3180.810       270.4882 3180.810       270.4882 0.000000       0.000000 327.5448 14.11391 ?        ?        0.000000       14.11391 
1 1 1 21  18 9  o 79.83145 29.60963 156.4122       184.3701 156.4122       184.3701 0.000000       0.000000 79.83145 29.60963 ?        ?        0.000000       29.60963 
1 1 1 21  18 10 o 381.7352 13.92860 4318.616       311.3089 4318.616       311.3089 0.000000       0.000000 381.7352 13.92860 ?        ?        0.000000       13.92860 
1 1 1 21  18 11 o 329.7449 14.20203 3226.161       274.0056 3226.161       274.0056 0.000000       0.000000 329.7449 14.20203 ?        ?        0.000000       14.20203 
1 1 1 21  18 12 o 196.4445 21.62424 1171.960       245.0172 1171.960       245.0172 0.000000       0.000000 196.4445 21.62424 ?        ?        0.000000       21.62424 
1 1 1 21  18 13 o 296.6056 14.61132 2615.599       253.3848 2615.599       253.3848 0.000000       0.000000 296.6056 14.61132 ?        ?        0.000000       14.61132 
1 1 1 21  18 14 o 81.23014 33.04713 101.0448       247.0468 101.0448       247.0468 0.000000       0.000000 81.23014 33.04713 ?        ?        0.000000       33.04713 
1 1 1 21  18 15 o 298.4301 20.29663 2688.029       353.1221 2688.029       353.1221 0.000000       0.000000 298.4301 20.29663 ?        ?        0.000000       20.29663 
1 1 1 21  18 16 o 215.2486 17.13398 1392.495       214.5125 1461.906       244.0118 1156.360       450.0663 219.9417 19.10640 185.1065 42.37441 34.83527       46.48274 
1 1 1 21  18 17 o 272.9722 14.11896 2220.032       225.2648 2228.377       260.3988 2195.214       449.0560 272.7562 16.35358 264.6582 29.42811 8.097992       33.66680 
1 1 1 21  18 18 o 284.0496 13.25386 2400.288       220.1852 2394.051       272.0085 2412.143       375.0074 282.5811 16.48462 280.7948 22.97258 1.786316       28.27512 
1 1 1 21  18 19 o 53.52937 24.78749 -137.8952      184.3716 36.12194       236.9178 -405.1088      293.5830 73.97633 31.39808 59.05799 28.46513 14.91834       42.38046 
1 1 1 21  18 20 o 54.18314 24.85732 -111.5511      179.3611 56.41423       242.6382 -313.9081      266.3228 76.14934 32.01909 58.41828 27.87739 17.73106       42.45434 
1 1 1 21  18 21 o 224.7237 14.50494 1512.964       190.1470 1755.131       270.0493 1274.845       267.7821 240.2017 19.33292 202.9722 22.89445 37.22955       29.96527 
1 1 1 21  18 22 o 250.5394 13.53461 1876.812       198.1331 1642.528       267.9841 2159.293       294.2605 231.7249 19.91193 266.3852 18.95917 -34.66031      27.49427 
1 1 1 21  18 23 o 81.04990 28.54210 192.8205       168.5334 184.9986       236.9951 200.8227       239.7125 85.69517 33.15234 87.45973 33.46924 -1.764565      47.10911 
1 1 1 21  18 24 o 105.3936 26.03128 364.5655       159.9402 168.0665       230.3211 547.5719       222.2729 82.81368 32.49727 127.7099 30.16121 -44.89618      44.33702 
1 1 1 21  18 25 o 216.7797 13.32564 1415.629       168.5984 1215.451       251.8759 1578.129       226.9376 196.1814 22.28613 226.9820 17.17510 -30.80055      28.13638 
1 1 1 21  18 26 o 177.1015 15.29969 957.5714       157.3547 834.8199       236.8168 1054.609       210.5570 159.3917 26.24631 183.5161 19.88057 -24.12436      32.92576 
1 1 1 21  18 27 o 118.2687 21.50043 450.8154       143.6391 333.9531       227.2410 528.5779       185.3680 98.49268 33.20571 125.9205 25.96374 -27.42780      42.15133 
1 1 1 21  18 28 o 145.2674 17.70849 659.1868       147.7550 491.2287       242.4451 758.4282       186.3629 116.6290 33.61198 154.0280 21.19156 -37.39902      39.73471 
1 1 1 21  18 29 o 35.97630 17.69341 -248.8334      130.5041 -161.7612      239.1230 -285.7701      155.7439 58.73713 27.53905 39.50356 19.40836 19.23357       33.69101 
1 1 1 21  18 30 o 86.92606 25.17797 257.1532       135.7234 534.6738       254.2946 146.6078       160.4944 119.1962 34.44541 71.85640 27.41360 47.33978       44.02262 
1 1 1 21  18 31 o 207.6659 12.16362 1307.793       147.4935 1349.987       258.9296 1287.526       179.4537 203.6361 22.03128 204.2492 15.08753 -0.6131439     26.70227 
1 1 1 21  18 32 o 78.81537 26.30714 209.6978       142.6614 -17.75612      287.9299 283.7043       164.2385 70.65942 32.05968 89.61942 28.09322 -18.96001      42.62690 
1 1 1 21  18 33 f 63.07808 25.94697 82.24147       154.3990 423.2350       294.9355 -46.48752      181.2142 102.7490 37.56287 55.86638 25.38169 46.88258       45.33430 
1 1 1 21  18 34 o 80.40935 28.44944 223.7656       167.5937 203.2585       303.5047 232.7617       201.0203 84.06693 35.60299 82.31125 30.84095 1.755684       47.10347 
1 1 1 21  18 35 o 49.03672 22.97901 -111.0481      166.1214 -295.6483      297.9463 -27.77489      200.1125 58.55615 28.33391 59.21381 26.81096 -0.6576614     39.00818 
1 1 1 21  18 36 o 51.45913 23.60711 -58.66561      161.7602 -269.5435      287.8104 38.70624       195.5724 58.02085 28.01943 63.06552 27.64315 -5.044674      39.36029 
1 1 1 21  18 37 o 75.83650 28.74048 192.7708       175.6843 302.5764       290.9918 129.7887       220.3826 89.27947 36.03132 72.30931 30.46626 16.97016       47.18526 
1 1 1 21  18 38 o 75.91707 32.30774 154.0946       251.9959 268.8730       288.5199 -215.1049      517.4593 86.07228 35.44404 76.51984 37.10069 9.552437       51.31025 
1 1 1 21  19 0  o 172.8069 16.15668 893.7941       161.8451 785.0860       175.0714 1532.794       424.4577 161.2435 18.86971 220.6445 33.88271 -59.40109      38.78278 
1 1 1 21  19 1  o 261.7791 13.96285 2033.380       213.5923 1973.686       240.0835 2259.979       467.7615 257.4278 15.98097 270.5587 29.98158 -13.13092      33.97479 
1 1 1 21  19 2  o 256.3785 33.92543 2059.436       497.5952 0.000000       0.000000 2059.436       497.5952 ?        ?        256.3785 33.92543 0.000000       33.92543 
1 1 1 21  19 3  o 400.1872 25.92837 4861.581       605.2640 0.000000       0.000000 4861.581       605.2640 ?        ?        400.1872 25.92837 0.000000       25.92837 
1 1 1 21  19 4  o 213.5013 40.47009 1476.219       488.1991 0.000000       0.000000 1476.219       488.1991 ?        ?        213.5013 40.47009 0.000000       40.47009 
1 1 1 21  19 5  o 257.0663 13.31526 1959.045       200.0611 1957.622       219.5349 1966.011       485.8749 256.6822 14.64411 250.3377 33.96953 6.344452       36.99161 
1 1 1 21  19 6  o 202.9555 15.39793 1228.163       181.9118 1392.140       196.3793 236.6790       482.8882 216.1052 15.59958 113.7344 46.22802 102.3708       48.78910 
1 1 1 21  19 7  o 56.34299 24.52581 -20.58430      151.6493 -20.58430      151.6493 0.000000       0.000000 56.34299 24.52581 ?        ?        0.000000       24.52581 
1 1 1 21  19 8  o 117.4334 24.28074 430.3381       161.6998 430.3381       161.6998 0.000000       0.000000 117.4334 24.28074 ?        ?        0.000000       24.28074 
1 1 1 21  19 9  o 499.8629 22.06006 7519.069       645.1149 7519.069       645.1149 0.000000       0.000000 499.8629 22.06006 ?        ?        0.000000       22.06006 
1 1 1 21  19 10 o 359.8712 13.54870 3839.257       285.4428 3839.257       285.4428 0.000000       0.000000 359.8712 13.54870 ?        ?        0.000000       13.54870 
1 1 1 21  19 11 o 256.1914 13.77878 1949.751       206.2648 1949.751       206.2648 0.000000       0.000000 256.1914 13.77878 ?        ?        0.000000       13.77878 
1 1 1 21  19 12 o 160.7656 23.75385 796.7029       217.2283 796.7029       217.2283 0.000000       0.000000 160.7656 23.75385 ?        ?        0.000000       23.75385 
1 1 1 21  19 13 o 152.9163 21.84118 717.6886       190.3171 717.6886       190.3171 0.000000       0.000000 152.9163 21.84118 ?        ?        0.000000       21.84118 
1 1 1 21  19 14 o 355.5244 13.94800 3757.124       290.2607 3757.124       290.2607 0.000000       0.000000 355.5244 13.94800 ?        ?        0.000000       13.94800 
1 1 1 21  19 15 o 268.7336 15.55493 2158.202       244.1072 2158.202       244.1072 0.000000       0.000000 268.7336 15.55493 ?        ?        0.000000       15.55493 
1 1 1 21  19 16 o 104.3952 29.65457 348.5465       190.0441 418.0066       211.1504 52.28444       436.0762 113.7649 30.86801 96.99246 41.90696 16.77242       52.04832 
1 1 1 21  19 17 o 172.9586 19.49961 911.4080       194.3529 927.7197       219.6961 852.6904       416.8278 173.6266 22.07352 157.2929 43.64952 16.33376       48.91341 
1 1 1 21  19 18 o 165.3021 18.96432 832.4724       180.5256 807.4750       219.1860 885.1903       318.3062 161.0292 23.93596 164.2742 34.15409 -3.245041      41.70650 
1 1 1 21  19 19 o 52.60911 24.29553 -124.4223      175.3721 6.413493       224.3939 -329.7525      281.1086 69.81164 30.11177 59.94938 28.61707 9.862259       41.54101 
1 1 1 21  19 20 o 198.0558 16.92188 1186.028       194.6749 1138.934       255.2389 1251.529       301.0129 191.5670 23.18979 199.3821 26.38974 -7.815170      35.13096 
1 1 1 21  19 21 o 43.27258 21.08527 -293.2837      172.8232 -358.8385      223.7648 -196.3674      272.0746 49.67829 24.15818 64.06247 29.81735 -14.38418      38.37567 
1 1 1 21  19 22 o 125.0601 24.66451 501.5045       174.4709 604.7304       231.3908 365.4878       265.6122 135.2532 29.96059 105.8965 35.89917 29.35664       46.75882 
1 1 1 21  19 23 o 237.5907 13.01877 1693.062       180.7120 1684.394       246.6176 1703.112       265.5636 234.5908 18.06416 235.1334 19.43098 -0.5425873     26.53068 
1 1 1 21  19 24 o 68.64711 26.77936 109.5338       155.6364 212.4593       220.2436 6.870595       219.9628 85.88947 32.26093 67.54676 29.46812 18.34270       43.69368 
1 1 1 21  19 25 o 67.49250 26.71987 100.9694       156.9357 -27.63675      227.5902 217.5534       216.6917 65.76474 29.27448 85.63024 32.03368 -19.86550      43.39530 
1 1 1 21  19 26 f 41.27997 19.86773 -190.3102      141.8095 -52.29247      227.7889 -277.6518      181.2073 63.87791 28.79344 44.74451 21.75456 19.13340       36.08772 
1 1 1 21  19 27 o 66.43372 25.36738 114.4571       137.5079 -40.66784      245.7630 185.1512       165.9079 66.64355 29.98544 77.93885 28.22002 -11.29530      41.17641 
1 1 1 21  19 28 o 68.40594 25.07773 135.1250       131.5985 113.2099       231.4431 145.5954       159.9759 75.59836 31.49260 72.22885 27.41344 3.369507       41.75261 
1 1 1 21  19 29 o 224.4016 11.59492 1518.884       152.0788 1252.726       249.2358 1676.760       191.9552 196.7968 21.96870 234.3129 14.03290 -37.51614      26.06810 
1 1 1 21  19 30 o 105.4246 21.01654 365.3893       125.3812 391.7828       240.8544 355.5781       146.8474 102.4155 34.18196 102.0012 24.79296 0.4142914      42.22674 
1 1 1 21  19 31 o 129.3822 17.89380 532.8521       132.1465 526.1990       240.4559 535.7310       158.1740 117.9087 33.31042 127.3198 21.97713 -9.411110      39.90712 
1 1 1 21  19 32 o 60.28775 24.28130 80.83136       131.8544 -109.5910      213.4593 198.3150       167.6659 56.71356 26.40158 77.68329 28.33369 -20.96973      38.72778 
1 1 1 21  19 33 o 77.93648 26.14909 208.0681       140.9291 -216.2322      216.6681 519.2122       185.5406 51.75266 24.81684 121.0865 26.83318 -69.33386      36.54990 
1 1 1 21  19 34 o 155.4816 18.24417 777.5044       163.2007 681.4351       289.4681 822.2713       197.6000 128.5654 36.62461 156.8864 22.08643 -28.32103      42.76883 
1 1 1 21  19 35 o 205.8660 13.66929 1309.942       164.1021 1501.417       306.0554 1232.682       194.4106 207.9090 25.64294 196.9649 16.99595 10.94405       30.76398 
1 1 1 21  19 36 o 88.13036 27.78465 285.9042       160.4274 -20.89151      289.3874 422.0229       192.7586 68.44178 31.46317 105.2449 29.85544 -36.80315      43.37370 
1 1 1 21  19 37 o 83.66269 34.41374 240.1043       271.5967 240.1043       271.5967 0.000000       0.000000 83.66269 34.41374 ?        ?        0.000000       34.41374 
1 1 1 21  20 0  o 133.2301 20.92475 543.4449       158.1156 430.4025       170.0921 1262.420       428.9634 117.1943 25.47572 197.7823 38.36589 -80.58797      46.05381 
1 1 1 21  20 1  f 168.1745 16.69733 848.4096       162.5138 858.4593       176.2098 791.1965       420.4364 168.8560 18.07441 154.7186 44.16002 14.13748       47.71574 
1 1 1 21  20 2  o 32.25966 16.13089 -345.6725      127.1243 -360.0978      133.3454 -201.8057      421.1104 33.11136 16.55136 84.60764 38.53793 -51.49628      41.94186 
1 1 1 21  20 3  o 295.7590 28.95971 2691.526       495.8916 0.000000       0.000000 2691.526       495.8916 ?        ?        295.7590 28.95971 0.000000       28.95971 
1 1 1 21  20 4  o 295.8331 21.05773 2634.367       362.9612 2652.456       525.5724 2617.874       501.8576 292.4918 31.11556 291.2026 29.80565 1.289185       43.08776 
1 1 1 21  20 5  o 51.53190 22.48292 -20.91236      128.0594 -33.65969      134.2868 107.0448       425.4573 51.65908 22.76551 100.8237 42.39694 -49.16462      48.12244 
1 1 1 21  20 6  o 40.36590 19.11045 -139.0483      120.2954 -122.0629      125.6882 -324.3380      415.1280 42.76279 20.02251 78.75072 36.71322 -35.98793      41.81820 
1 1 1 21  20 7  o 264.1704 13.67654 2071.485       211.1688 2071.485       211.1688 0.000000       0.000000 264.1704 13.67654 ?        ?        0.000000       13.67654 
1 1 1 21  20 8  o 529.2138 22.54780 8448.438       698.2155 8448.438       698.2155 0.000000       0.000000 529.2138 22.54780 ?        ?        0.000000       22.54780 
1 1 1 21  20 9  o 251.8045 13.85874 1884.253       203.8731 1884.253       203.8731 0.000000       0.000000 251.8045 13.85874 ?        ?        0.000000       13.85874 
1 1 1 21  20 10 o 456.6653 13.33800 6181.398       356.8401 6181.398       356.8401 0.000000       0.000000 456.6653 13.33800 ?        ?        0.000000       13.33800 
1 1 1 21  20 11 o 422.9146 20.32059 5382.693       502.5356 5382.693       502.5356 0.000000       0.000000 422.9146 20.32059 ?        ?        0.000000       20.32059 
1 1 1 21  20 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  20 13 o 109.9056 29.82290 387.3352       197.0865 387.3352       197.0865 0.000000       0.000000 109.9056 29.82290 ?        ?        0.000000       29.82290 
1 1 1 21  20 14 o 190.8125 20.51134 1109.392       225.9364 1109.392       225.9364 0.000000       0.000000 190.8125 20.51134 ?        ?        0.000000       20.51134 
1 1 1 21  20 15 o 140.8168 23.24803 617.4908       185.3015 617.4908       185.3015 0.000000       0.000000 140.8168 23.24803 ?        ?        0.000000       23.24803 
1 1 1 21  20 16 o 400.2682 13.56669 4766.355       318.0149 5134.423       438.8731 4359.430       461.4583 413.1369 18.15752 379.1015 20.83529 34.03543       27.63702 
1 1 1 21  20 17 o 51.47333 23.94190 -142.3226      174.9580 -165.5763      196.5919 -53.76857      383.6397 54.09005 25.23254 85.70634 38.08809 -31.61628      45.68789 
1 1 1 21  20 18 o 173.5126 17.45059 912.6654       175.1701 1004.790       214.5744 728.6004       303.3025 181.0330 20.57473 147.7467 35.45595 33.28627       40.99322 
1 1 1 21  20 19 o 241.8120 13.57178 1747.031       191.6986 1679.111       239.5617 1867.948       319.6436 235.6257 17.45987 246.2565 22.37645 -10.63077      28.38226 
1 1 1 21  20 20 o 266.7438 12.59959 2121.890       196.5496 2228.034       255.4377 1967.831       307.7375 271.9351 16.08846 253.1729 20.91221 18.76221       26.38482 
1 1 1 21  20 21 o 163.9291 17.47631 821.2639       165.4304 832.4120       213.4302 804.4869       261.8253 162.7315 23.00392 156.6763 29.57827 6.055176       37.47071 
1 1 1 21  20 22 o 48.58714 22.65666 -127.1945      158.2545 -163.2864      208.8105 -78.48587      242.5775 55.48221 25.92244 65.42416 29.58103 -9.941944      39.33205 
1 1 1 21  20 23 f 43.28536 20.90517 -229.1623      160.2967 -352.5487      218.5039 -85.37218      235.8794 48.44382 23.62794 63.67193 28.93977 -15.22810      37.36027 
1 1 1 21  20 24 o 36.33402 18.05911 -345.6619      149.4784 -308.3101      211.3107 -383.0729      211.4782 48.75978 23.65700 46.04883 22.62248 2.710949       32.73271 
1 1 1 21  20 25 o 58.82985 24.57677 43.34098       141.5423 -202.2660      209.8216 248.4413       191.7401 52.94496 25.11650 87.50954 30.47093 -34.56458      39.48817 
1 1 1 21  20 26 o 59.96860 24.32261 66.35217       133.3449 210.7708       224.6118 -12.24960      165.7056 84.51591 32.38408 57.36595 25.28432 27.14996       41.08559 
1 1 1 21  20 27 o 55.88592 23.38158 38.60571       128.3952 28.30255       232.0826 43.14997       154.1306 69.20645 30.22913 60.32249 25.45058 8.883965       39.51623 
1 1 1 21  20 28 o 111.4698 21.21659 405.6963       133.6368 479.5854       240.2159 372.5786       160.8206 113.8685 33.64044 104.1354 26.32335 9.733101       42.71532 
1 1 1 21  20 29 o 70.02868 24.86293 152.2095       128.0967 30.70718       239.5476 200.8669       151.5912 69.21177 30.45685 78.18286 27.10100 -8.971092      40.76867 
1 1 1 21  20 30 o 119.1344 19.02504 457.0750       128.4581 585.6396       228.2096 397.4455       155.4189 126.6816 30.97839 107.5403 25.10162 19.14125       39.87169 
1 1 1 21  20 31 o 88.04617 24.34903 267.0846       129.9538 179.9398       211.8031 319.6970       164.5718 78.14149 31.00756 94.65421 27.81296 -16.51271      41.65369 
1 1 1 21  20 32 o 169.1428 14.47354 887.2014       142.1965 762.2595       206.3956 1000.087       196.1850 149.6277 24.35704 176.0607 19.31680 -26.43298      31.08704 
1 1 1 21  20 33 o 142.5155 16.24271 642.3892       133.3393 537.3217       215.1797 707.8815       169.8878 119.6050 30.56568 146.8621 20.26380 -27.25710      36.67263 
1 1 1 21  20 34 o 55.29683 23.06039 51.06930       124.2930 -148.1976      212.6781 154.4303       153.1735 53.97776 25.51155 70.57930 26.81566 -16.60154      37.01242 
1 1 1 21  20 35 o 77.79762 26.42615 212.7374       143.9350 -90.29517      238.3268 386.7285       180.5892 59.82521 27.86590 101.4650 28.93572 -41.63977      40.17194 
1 1 1 21  20 36 o 78.64745 27.58500 219.4033       157.3098 0.8925853      302.2937 300.5520       184.2186 70.44656 32.30058 89.15670 29.89648 -18.71014      44.01281 
1 1 1 21  20 37 o 53.71656 23.91109 -2.814293      151.8314 -217.6530      286.3469 81.21149       179.0781 59.13404 28.40170 64.23830 27.28260 -5.104252      39.38269 
1 1 1 21  21 0  o 298.8042 12.37511 2643.199       216.3940 2503.427       248.3291 3084.211       441.1046 290.2311 14.63650 318.9039 23.75539 -28.67279      27.90243 
1 1 1 21  21 1  o 190.7263 14.19341 1083.534       157.6244 1168.528       174.3938 704.2581       368.3964 197.8981 15.14081 146.3350 41.19225 51.56314       43.88673 
1 1 1 21  21 2  o 204.8954 13.63995 1248.268       162.9730 1240.367       179.6271 1285.049       387.5555 203.9214 15.12733 201.0865 34.07817 2.834930       37.28482 
1 1 1 21  21 3  o 252.7629 12.37311 1892.893       182.8609 1912.118       202.5369 1808.124       425.3071 253.7631 13.65930 240.7427 30.82971 13.02043       33.72013 
1 1 1 21  21 4  o 149.6795 15.75408 672.6650       136.2236 741.1657       144.6100 132.9359       405.9181 157.1580 15.90843 100.2791 41.73495 56.87888       44.66413 
1 1 1 21  21 5  o 349.2328 11.69203 3606.816       239.1348 3696.913       270.4959 3284.452       511.6578 353.2001 13.08098 327.3632 26.88686 25.83691       29.90009 
1 1 1 21  21 6  o 57.46069 22.97928 52.35946       117.2169 117.5410       121.7608 -772.3777      433.1147 67.27625 24.19988 66.81352 32.73148 0.4627228      40.70607 
1 1 1 21  21 7  o 306.5644 12.05436 2782.543       216.3062 2720.281       236.2886 3104.649       537.4442 302.7843 13.33908 316.7125 29.26546 -13.92813      32.16207 
1 1 1 21  21 8  o 143.1782 17.23675 619.6992       141.8301 619.6992       141.8301 0.000000       0.000000 143.1782 17.23675 ?        ?        0.000000       17.23675 
1 1 1 21  21 9  o 290.7997 13.30474 2510.901       226.3073 2510.901       226.3073 0.000000       0.000000 290.7997 13.30474 ?        ?        0.000000       13.30474 
1 1 1 21  21 10 o 160.6225 17.53464 779.6203       162.4990 779.6203       162.4990 0.000000       0.000000 160.6225 17.53464 ?        ?        0.000000       17.53464 
1 1 1 21  21 11 o 171.8213 17.37247 891.1472       172.6586 891.1472       172.6586 0.000000       0.000000 171.8213 17.37247 ?        ?        0.000000       17.37247 
1 1 1 21  21 12 o 257.9756 13.84868 1982.232       208.7578 1982.232       208.7578 0.000000       0.000000 257.9756 13.84868 ?        ?        0.000000       13.84868 
1 1 1 21  21 13 o 166.7569 21.02957 852.4686       201.1027 852.4686       201.1027 0.000000       0.000000 166.7569 21.02957 ?        ?        0.000000       21.02957 
1 1 1 21  21 14 f 271.3664 13.40673 2192.570       212.7075 2192.570       212.7075 0.000000       0.000000 271.3664 13.40673 ?        ?        0.000000       13.40673 
1 1 1 21  21 15 f 86.78960 27.76024 231.5394       159.6550 231.5394       159.6550 0.000000       0.000000 86.78960 27.76024 ?        ?        0.000000       27.76024 
1 1 1 21  21 16 o 43.82643 20.86784 -179.2021      147.5337 -151.8608      162.0301 -311.8168      356.8469 48.36869 22.67503 70.86159 33.35475 -22.49289      40.33232 
1 1 1 21  21 17 o 97.75331 26.78119 306.4806       158.0471 311.2103       174.4310 284.7921       373.5244 98.47554 28.54933 105.5711 41.39747 -7.095528      50.28732 
1 1 1 21  21 18 o 197.3024 20.28532 1193.911       231.3876 1162.564       355.1309 1217.036       305.0190 187.9935 33.43574 195.8897 27.28988 -7.896133      43.15885 
1 1 1 21  21 19 o 52.58200 23.69700 -62.66763      154.1996 -30.36736      183.6683 -139.8050      283.8335 60.30971 26.59911 68.40508 31.34000 -8.095364      41.10606 
1 1 1 21  21 20 o 177.3071 16.02643 954.0696       164.8557 865.1815       203.1771 1125.356       282.0423 166.6589 21.27135 187.6824 26.34824 -21.02344      33.86296 
1 1 1 21  21 21 o 245.4017 11.82258 1799.512       169.6528 1677.214       217.8457 1988.001       270.4478 235.1309 15.89086 254.7715 18.22043 -19.64066      24.17650 
1 1 1 21  21 22 o 229.1648 12.13293 1574.343       162.4852 1508.025       216.6113 1659.673       245.7067 222.0928 16.75368 232.2169 18.18648 -10.12410      24.72719 
1 1 1 21  21 23 o 87.06070 26.15705 249.8866       144.2784 267.9858       200.5632 230.4754       207.7052 90.63094 31.18375 86.51113 31.53853 4.119804       44.35206 
1 1 1 21  21 24 o 68.96342 26.29792 124.1728       147.6536 110.1288       214.6471 136.7874       203.4315 74.48386 30.61119 75.87566 30.29647 -1.391808      43.06879 
1 1 1 21  21 25 o 113.3200 21.38500 415.6232       136.9144 476.2247       215.6713 374.7133       177.2005 116.2708 31.04498 104.3942 28.25764 11.87666       41.97958 
1 1 1 21  21 26 o 58.28827 23.82014 58.80750       129.0485 185.7458       205.8386 -23.39686      165.6449 80.33646 30.94498 56.28704 25.01999 24.04941       39.79436 
1 1 1 21  21 27 o 62.70658 24.04929 101.1886       123.9485 -45.66071      209.4072 180.3822       153.7803 60.92702 27.52199 75.92381 27.21023 -14.99679      38.70215 
1 1 1 21  21 28 o 64.20108 24.05311 115.2882       122.2661 121.7983       215.9109 112.2152       148.3430 73.91340 30.57119 66.44527 26.07847 7.468132       40.18314 
1 1 1 21  21 29 o 205.0451 11.69981 1272.884       140.1111 973.4785       231.6742 1445.544       175.9316 171.1178 23.72236 217.1814 13.88517 -46.06363      27.48724 
1 1 1 21  21 30 o 104.1570 22.38740 364.5266       132.6823 392.5675       218.3025 348.0996       167.0858 102.2104 32.43501 98.80022 27.71650 3.410210       42.66420 
1 1 1 21  21 31 o 91.51315 24.40680 290.8503       133.3946 347.5374       212.6375 254.0642       171.2930 96.11926 32.11809 84.74550 28.82778 11.37376       43.15799 
1 1 1 21  21 32 o 85.71056 24.20723 256.0967       127.0074 145.2579       205.3612 324.7513       161.6245 73.49401 30.04320 94.68194 27.49068 -21.18793      40.72261 
1 1 1 21  21 33 o 81.29343 23.97113 230.1546       122.0665 83.50528       209.2932 305.7550       150.2717 68.22422 29.24903 92.19913 26.42825 -23.97491      39.42027 
1 1 1 21  21 34 o 88.47124 27.84498 287.3716       161.1895 168.7299       256.1589 365.1444       207.3982 77.90117 32.83557 96.89643 31.69396 -18.99526      45.63641 
1 1 1 21  21 35 o 89.75243 30.62132 307.2152       193.2922 185.8424       311.3829 383.3043       246.5444 81.43813 35.29903 96.93509 34.48510 -15.49696      49.34818 
1 1 1 21  21 36 o 179.7195 17.01922 1034.075       177.2474 588.7164       284.7676 1315.735       226.4632 116.1444 37.06667 200.3016 19.52561 -84.15722      41.89495 
1 1 1 21  22 0  o 137.5105 16.04877 569.7999       126.9974 595.4463       136.4956 404.5256       346.5039 140.4070 16.91643 116.3815 40.93063 24.02547       44.28862 
1 1 1 21  22 1  f 105.5116 19.05008 342.7527       113.5451 343.1042       119.8686 339.6824       354.2686 105.3115 20.14165 111.0663 41.07198 -5.754883      45.74488 
1 1 1 21  22 2  o 406.7324 12.75507 4900.568       303.8820 5027.000       383.6223 4687.602       497.8884 410.7865 15.95378 394.0744 21.62576 16.71210       26.87371 
1 1 1 21  22 3  o 26.93503 13.52579 -277.4761      94.02622 -246.0709      97.71545 -669.9836      345.4510 29.09397 14.48374 58.53596 28.78810 -29.44199      32.22628 
1 1 1 21  22 4  o 50.28251 21.18316 11.82996       106.5219 11.14969       110.6405 20.46007       394.0788 51.08765 21.55915 92.04447 39.80363 -40.95683      45.26728 
1 1 1 21  22 5  o 547.6673 12.65464 8878.206       406.4592 8767.522       475.5822 9178.125       782.8652 543.0461 14.94692 549.4722 24.35405 -6.426147      28.57499 
1 1 1 21  22 6  o 134.8961 16.84718 550.6401       130.3861 557.9504       136.1712 470.0465       452.1323 135.6323 17.52819 126.1457 46.44316 9.486549       49.64076 
1 1 1 21  22 7  o 315.0924 11.65901 2939.885       215.0802 2897.289       235.4821 3154.247       528.2579 312.4651 12.87768 318.9103 28.54561 -6.445221      31.31591 
1 1 1 21  22 8  o 240.0172 12.94668 1712.339       181.5687 1712.339       181.5687 0.000000       0.000000 240.0172 12.94668 ?        ?        0.000000       12.94668 
1 1 1 21  22 9  o 195.9733 15.68579 1151.572       178.7785 1151.572       178.7785 0.000000       0.000000 195.9733 15.68579 ?        ?        0.000000       15.68579 
1 1 1 21  22 10 o 256.3193 12.47658 1951.507       186.9911 1951.507       186.9911 0.000000       0.000000 256.3193 12.47658 ?        ?        0.000000       12.47658 
1 1 1 21  22 11 o 198.2195 15.48264 1178.333       178.5603 1178.333       178.5603 0.000000       0.000000 198.2195 15.48264 ?        ?        0.000000       15.48264 
1 1 1 21  22 12 o 142.9579 18.24677 622.8676       149.5012 622.8676       149.5012 0.000000       0.000000 142.9579 18.24677 ?        ?        0.000000       18.24677 
1 1 1 21  22 13 o 102.8634 23.84738 335.4529       141.0570 335.4529       141.0570 0.000000       0.000000 102.8634 23.84738 ?        ?        0.000000       23.84738 
1 1 1 21  22 14 o 45.15225 21.01711 -114.6860      135.2093 -114.6860      135.2093 0.000000       0.000000 45.15225 21.01711 ?        ?        0.000000       21.01711 
1 1 1 21  22 15 f 57.94921 24.41260 21.99862       141.4732 21.99862       141.4732 0.000000       0.000000 57.94921 24.41260 ?        ?        0.000000       24.41260 
1 1 1 21  22 16 o 130.0834 21.28827 527.1053       156.7973 527.1053       156.7973 0.000000       0.000000 130.0834 21.28827 ?        ?        0.000000       21.28827 
1 1 1 21  22 17 o 280.4587 11.27439 2336.957       185.0659 2308.641       210.9329 2431.634       385.7004 278.1692 12.96526 280.0105 23.70952 -1.841339      27.02295 
1 1 1 21  22 18 o 88.39007 24.07576 250.2721       128.1588 250.5079       145.3165 249.4468       271.8784 88.50112 26.16969 94.72755 35.78632 -6.226433      44.33411 
1 1 1 21  22 19 o 54.24706 23.15463 10.89463       130.1175 129.1120       150.4410 -340.1260      259.2339 70.99597 26.66376 55.57405 26.77641 15.42192       37.78799 
1 1 1 21  22 20 o 164.8367 14.65788 823.6868       140.2257 768.1984       169.8813 942.3288       248.4069 157.5219 18.75682 171.1221 25.53184 -13.60020      31.68112 
1 1 1 21  22 21 o 160.2217 15.47523 783.7568       143.6073 974.8391       186.9611 508.7864       224.2765 177.5591 18.21167 121.6366 31.26838 55.92248       36.18530 
1 1 1 21  22 22 o 62.14122 24.89173 76.61059       137.7701 157.9661       177.6952 -45.99188      218.1383 76.08579 28.88840 63.19030 28.35565 12.89549       40.47941 
1 1 1 21  22 23 o 108.1646 22.15181 380.5664       135.7901 361.1781       190.8392 400.4488       193.2558 102.3012 29.92054 107.6428 29.66370 -5.341530      42.13281 
1 1 1 21  22 24 o 56.09115 23.42101 39.12072       128.4479 118.7931       195.2737 -21.64325      170.5348 72.96312 29.49129 57.36502 25.44914 15.59810       38.95375 
1 1 1 21  22 25 o 151.8578 14.97623 708.8939       131.6456 478.7712       204.0128 873.0782       172.3232 116.8856 29.70396 167.1242 17.85785 -50.23860      34.65873 
1 1 1 21  22 26 o 44.78529 20.44399 -57.94302      119.3425 -183.6057      193.9091 18.67993       151.4169 50.72734 24.08789 57.33513 24.73285 -6.607788      34.52449 
1 1 1 21  22 27 o 169.6310 12.54910 875.3769       123.9601 823.9719       199.2294 907.8478       158.3427 158.8783 21.96876 170.8886 15.98466 -12.01028      27.16865 
1 1 1 21  22 28 o 130.3546 15.92668 531.7502       119.2336 365.4222       202.0033 620.6838       147.7097 99.99554 31.12758 139.5065 18.50992 -39.51100      36.21523 
1 1 1 21  22 29 f 62.11873 23.55142 106.2240       118.0011 -375.9615      204.8041 345.8374       144.3734 44.22118 21.82782 100.0949 24.73767 -55.87370      32.99100 
1 1 1 21  22 30 o 148.2521 15.05566 685.3665       129.0899 435.9224       208.5585 840.2827       164.3576 107.6780 31.21757 162.6566 17.50450 -54.97861      35.79028 
1 1 1 21  22 31 o 139.5242 15.49841 611.4365       124.6827 739.7578       213.1787 544.7175       153.7159 145.7534 25.88706 128.0599 21.20875 17.69348       33.46567 
1 1 1 21  22 32 o 72.62808 24.16634 178.4121       120.4053 194.9568       198.9829 168.8550       151.2350 77.69698 30.28835 72.33607 26.81953 5.360909       40.45579 
1 1 1 21  22 33 o 128.4711 24.68372 575.4956       179.2233 310.8194       223.6726 1050.225       299.5564 90.15831 32.74913 166.5130 31.83461 -76.35466      45.67218 
1 1 1 21  22 34 o 64.18299 28.24593 42.65890       206.0654 -105.0935      241.7258 435.5605       394.1827 59.32388 27.77370 98.86167 41.13467 -39.53780      49.63305 
1 1 1 21  22 35 o 35.79338 17.81011 -320.5805      147.0114 -337.5632      236.5056 -309.8868      187.6732 49.16535 24.10670 43.09307 21.19829 6.072273       32.10141 
1 1 1 21  23 0  o 181.2155 13.09982 978.1114       138.2834 1010.741       151.9657 820.9930       333.4653 183.9847 14.19323 158.0608 36.68200 25.92387       39.33214 
1 1 1 21  23 1  f 284.9651 24.94081 2489.894       412.6268 0.000000       0.000000 2489.894       412.6268 ?        ?        284.9651 24.94081 0.000000       24.94081 
1 1 1 21  23 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  23 3  o 109.4902 18.55406 368.4951       114.8920 354.3241       120.7804 503.2889       372.5047 106.9558 19.98971 125.6015 42.51394 -18.64570      46.97897 
1 1 1 21  23 4  o 303.7601 12.93840 2739.979       229.9672 2739.979       229.9672 0.000000       0.000000 303.7601 12.93840 ?        ?        0.000000       12.93840 
1 1 1 21  23 5  o 160.7378 14.52762 774.2001       135.4735 791.2435       143.1791 628.5223       418.5991 162.3453 15.21528 137.4015 45.03199 24.94380       47.53299 
1 1 1 21  23 6  o 89.07501 22.11351 249.5315       114.9849 252.1335       119.5513 217.4105       420.0516 89.48257 22.73773 105.5137 43.02985 -16.03111      48.66798 
1 1 1 21  23 7  o 99.33562 38.99108 228.9424       331.6417 -4.113790      504.7498 405.9825       439.9280 100.2142 44.15091 119.6977 45.45272 -19.48345      63.36602 
1 1 1 21  23 8  o 215.5441 13.31102 1384.386       167.4458 1384.386       167.4458 0.000000       0.000000 215.5441 13.31102 ?        ?        0.000000       13.31102 
1 1 1 21  23 9  o 324.6926 12.13216 3128.454       230.6198 3128.454       230.6198 0.000000       0.000000 324.6926 12.13216 ?        ?        0.000000       12.13216 
1 1 1 21  23 10 o 152.3423 16.18430 700.9849       142.3887 700.9849       142.3887 0.000000       0.000000 152.3423 16.18430 ?        ?        0.000000       16.18430 
1 1 1 21  23 11 o 157.6700 16.36916 751.1534       149.1650 751.1534       149.1650 0.000000       0.000000 157.6700 16.36916 ?        ?        0.000000       16.36916 
1 1 1 21  23 12 o 57.55296 23.63622 40.30054       127.8567 40.30054       127.8567 0.000000       0.000000 57.55296 23.63622 ?        ?        0.000000       23.63622 
1 1 1 21  23 13 o 140.1548 16.70687 596.5731       134.6258 596.5731       134.6258 0.000000       0.000000 140.1548 16.70687 ?        ?        0.000000       16.70687 
1 1 1 21  23 14 o 117.0091 21.11639 427.8787       139.5764 427.8787       139.5764 0.000000       0.000000 117.0091 21.11639 ?        ?        0.000000       21.11639 
1 1 1 21  23 15 o 207.8616 32.08522 1406.181       378.5613 1406.181       378.5613 0.000000       0.000000 207.8616 32.08522 ?        ?        0.000000       32.08522 
1 1 1 21  23 16 o 33.09032 16.24153 -211.7137      108.2195 -127.8692      114.1182 -960.4264      341.0163 39.27044 18.59818 50.66424 25.48425 -11.39380      31.54900 
1 1 1 21  23 17 o 119.1327 17.89169 438.4819       121.1479 439.1586       130.3848 434.2073       327.7045 118.7218 19.39508 114.2229 39.83152 4.498901       44.30259 
1 1 1 21  23 18 o 40.37646 18.75512 -85.62241      106.8043 30.97966       117.6518 -631.9144      254.6583 54.04165 22.47828 45.90039 22.93339 8.141262       32.11251 
1 1 1 21  23 19 o 53.71929 22.08111 38.70581       111.7121 64.48231       125.2726 -61.39264      246.8641 59.20115 23.72843 66.76068 30.04411 -7.559536      38.28429 
1 1 1 21  23 20 o 39.65057 18.55709 -95.86253      107.7638 -14.89023      122.9017 -365.1608      224.1332 49.88153 21.88747 48.76373 23.81582 1.117805       32.34586 
1 1 1 21  23 21 o 194.2918 11.71872 1133.693       132.9112 963.5346       162.8595 1473.045       229.9911 177.3275 15.82597 218.1407 18.14131 -40.81323      24.07422 
1 1 1 21  23 22 o 40.98243 19.09742 -89.65535      112.1306 -123.0209      139.9766 -29.89688      187.3293 44.72202 21.00040 59.49722 26.51716 -14.77520      33.82569 
1 1 1 21  23 23 o 47.25125 20.88198 -19.28732      113.7457 -8.509935      149.0214 -34.33039      176.0598 54.87003 24.08808 57.24350 25.59657 -2.373478      35.14854 
1 1 1 21  23 24 o 138.2984 15.15242 589.8083       120.8898 759.6238       180.7347 452.3208       162.6239 154.2491 20.48468 116.3551 24.60162 37.89403       32.01346 
1 1 1 21  23 25 o 60.33251 22.67649 96.97573       108.8570 -100.0267      169.0238 236.6025       142.2972 51.20682 23.71945 83.73571 26.13471 -32.52889      35.29356 
1 1 1 21  23 26 o 57.71436 22.18342 83.50866       105.6207 71.70533       167.7101 91.26749       135.9737 64.26850 26.79323 62.53814 24.83524 1.730362       36.53309 
1 1 1 21  23 27 o 77.16980 21.81872 198.6445       103.1231 378.3318       175.9335 104.5978       127.2804 103.0982 28.26023 63.07440 24.32369 40.02376       37.28650 
1 1 1 21  23 28 o 105.1546 18.16631 356.1778       107.9829 316.5407       181.6801 377.8282       134.2735 93.60414 29.57535 106.1420 22.28116 -12.53783      37.02906 
1 1 1 21  23 29 o 154.3174 13.33181 732.8256       119.4755 605.9175       189.2540 816.9161       154.0543 132.5393 25.26932 161.0071 16.55007 -28.46786      30.20667 
1 1 1 21  23 30 o 107.1315 18.24599 372.2423       110.5349 161.5533       182.9669 493.3299       138.7079 73.67365 28.94831 122.5708 19.98372 -48.89714      35.17604 
1 1 1 21  23 31 o 76.03673 23.04188 198.3362       111.6155 162.5457       180.8890 220.3409       141.8360 73.27320 28.78572 79.31625 26.22352 -6.043053      38.93958 
1 1 1 21  23 32 o 50.75182 21.55438 28.94245       111.7710 -102.3399      181.9196 108.5502       141.6622 51.86311 24.21977 63.93101 25.36195 -12.06789      35.06887 
1 1 1 21  23 33 o 66.66032 23.97273 143.4741       119.4778 70.93671       192.6551 188.8076       152.3034 64.99012 27.96534 74.42242 27.02526 -9.432304      38.88991 
1 1 1 21  23 34 o 52.99258 22.46621 37.77219       121.0633 -94.58641      215.9131 98.46559       146.2089 56.64890 26.43192 62.84750 25.47664 -6.198605      36.71111 
1 1 1 21  23 35 o 44.39297 20.27139 -44.54333      117.4577 -126.7150      202.0786 -2.616958      144.3454 52.90804 24.96409 52.52512 23.35144 0.3829155      34.18326 
1 1 1 21  24 0  o 228.1835 13.78673 1552.538       183.6391 1552.538       183.6391 0.000000       0.000000 228.1835 13.78673 ?        ?        0.000000       13.78673 
1 1 1 21  24 1  o 134.9101 15.39615 549.2218       119.6386 557.6045       126.4010 477.1075       370.7405 135.7479 16.19606 122.5147 42.38657 13.23319       45.37547 
1 1 1 21  24 2  o 200.8045 12.75113 1200.568       149.3907 1239.850       162.4091 984.5935       380.8182 203.8501 13.66357 171.5555 38.76588 32.29459       41.10336 
1 1 1 21  24 3  o 305.3451 11.57386 2763.783       206.8869 2795.322       233.0638 2646.563       449.3109 306.6585 12.98834 292.2260 26.50465 14.43259       29.51599 
1 1 1 21  24 4  o 359.5796 11.52861 3831.334       242.8069 3806.946       279.3348 3906.719       491.1102 357.8050 13.33487 357.2914 23.56885 0.5135803      27.07968 
1 1 1 21  24 5  o 120.0352 16.61331 438.5631       113.8222 452.3226       117.8241 246.2726       440.4659 121.8488 16.94571 108.3922 44.11576 13.45668       47.25841 
1 1 1 21  24 6  o 333.6128 19.59246 3366.150       381.6509 3317.020       569.3129 3406.250       514.3362 324.4662 30.26706 331.3567 26.69245 -6.890533      40.35569 
1 1 1 21  24 7  o 78.14003 22.56179 190.3032       109.1422 174.5901       112.5746 436.2596       445.3887 75.44518 23.19551 121.4767 45.82307 -46.03157      51.35938 
1 1 1 21  24 8  o 123.3481 16.65431 463.1774       117.4032 463.1774       117.4032 0.000000       0.000000 123.3481 16.65431 ?        ?        0.000000       16.65431 
1 1 1 21  24 9  f 188.3439 13.20622 1059.156       144.9504 1059.156       144.9504 0.000000       0.000000 188.3439 13.20622 ?        ?        0.000000       13.20622 
1 1 1 21  24 10 o 93.52463 20.96717 275.1714       112.1569 275.1714       112.1569 0.000000       0.000000 93.52463 20.96717 ?        ?        0.000000       20.96717 
1 1 1 21  24 11 o 192.9209 35.01254 1226.367       381.5592 1226.367       381.5592 0.000000       0.000000 192.9209 35.01254 ?        ?        0.000000       35.01254 
1 1 1 21  24 12 o 147.8782 14.58211 658.7935       124.8224 658.7935       124.8224 0.000000       0.000000 147.8782 14.58211 ?        ?        0.000000       14.58211 
1 1 1 21  24 13 o 284.3324 23.40461 2501.087       386.8293 2501.087       386.8293 0.000000       0.000000 284.3324 23.40461 ?        ?        0.000000       23.40461 
1 1 1 21  24 14 o 120.9956 16.45927 447.6910       113.7713 447.6910       113.7713 0.000000       0.000000 120.9956 16.45927 ?        ?        0.000000       16.45927 
1 1 1 21  24 15 o 43.95513 19.42336 -24.40007      98.38656 -24.40007      98.38656 0.000000       0.000000 43.95513 19.42336 ?        ?        0.000000       19.42336 
1 1 1 21  24 16 o 91.14647 19.28129 262.3568       99.84601 257.2057       105.0252 310.7539       321.9223 89.94466 20.38287 102.2692 38.87062 -12.32450      43.89062 
1 1 1 21  24 17 o 120.0934 14.87186 440.3958       102.5090 420.6201       109.5791 578.9800       290.0808 116.8176 16.44935 127.9832 36.72941 -11.16558      40.24463 
1 1 1 21  24 18 o 117.8614 15.23080 426.1836       102.8207 428.5131       111.2885 412.6002       268.7375 117.7222 16.57763 109.0414 36.09798 8.680748       39.72256 
1 1 1 21  24 19 o 80.09335 20.81552 207.1663       98.65975 192.9415       108.0761 278.2919       241.6684 77.30512 22.49010 93.34766 34.02122 -16.04253      40.78294 
1 1 1 21  24 20 o 80.15165 20.45015 207.8846       96.43018 168.2949       108.0843 362.3406       213.4883 72.67314 22.79134 102.1696 32.02988 -29.49641      39.31105 
1 1 1 21  24 21 o 116.6329 15.74044 421.5341       104.9226 478.3025       122.2709 262.9754       204.3454 123.6906 17.33015 89.38633 31.43269 34.30423       35.89356 
1 1 1 21  24 22 o 70.66312 21.68877 160.4081       98.47560 112.2262       120.4213 257.6722       171.0951 64.18822 23.90644 87.62357 28.79388 -23.43534      37.42466 
1 1 1 21  24 23 o 64.88721 21.58838 130.6529       96.08739 87.09229       127.2019 188.5420       146.6374 61.39968 24.13355 76.92077 26.65498 -15.52108      35.95715 
1 1 1 21  24 24 o 71.17164 20.96063 165.1620       93.37958 200.6716       130.2778 127.6422       133.9147 77.89601 25.09231 67.24927 25.17743 10.64674       35.54612 
1 1 1 21  24 25 o 32.67415 15.72702 -122.2374      88.89877 -69.76636      133.2921 -164.2778      119.3104 46.50719 21.37000 37.47992 18.08509 9.027275       27.99549 
1 1 1 21  24 26 o 50.35802 20.07862 51.21767       89.22353 -82.72275      138.4992 146.2413       116.6560 46.48812 21.51181 68.20921 23.76640 -21.72108      32.05620 
1 1 1 21  24 27 o 89.06143 18.84276 259.1858       95.34417 216.4821       148.3877 289.2125       124.4284 79.73230 26.83279 92.18655 23.07157 -12.45425      35.38779 
1 1 1 21  24 28 o 51.66677 20.41748 59.20055       91.48129 -50.78227      146.4492 129.5774       117.1493 49.94219 22.73979 65.21459 23.69903 -15.27240      32.84421 
1 1 1 21  24 29 o 38.60544 17.77991 -54.87247      93.01025 -83.00605      151.6438 -37.90614      117.7623 48.43714 22.44708 45.50574 20.58939 2.931400       30.45972 
1 1 1 21  24 30 o 50.77436 20.45819 52.43378       93.64430 88.44143       157.7563 32.84300       116.3631 63.48412 26.18237 52.03646 22.04177 11.44766       34.22509 
1 1 1 21  24 31 o 75.27309 20.76963 191.9536       94.67420 128.9112       159.8099 226.0428       117.5156 67.87885 26.93449 80.60069 23.45251 -12.72183      35.71396 
1 1 1 21  24 32 o 75.10921 20.63295 191.9183       93.66583 103.1122       162.2612 236.2990       114.7071 64.98810 26.65149 82.28918 22.92133 -17.30109      35.15237 
1 1 1 21  24 33 o 52.64952 20.62662 68.19486       92.66039 76.29516       159.7355 64.08672       113.7559 61.91397 26.00313 54.98747 22.40466 6.926498       34.32392 
1 1 1 21  24 34 o 69.92542 21.60111 167.1477       97.49039 -10.34286      171.4759 251.9201       118.5066 55.83455 25.09075 84.49397 23.20714 -28.65942      34.17773 
1 1 1 21  25 0  o 142.0278 14.65919 607.2262       120.3527 586.2930       127.0875 789.1758       374.6802 139.2299 15.84557 151.7976 41.09015 -12.56764      44.03955 
1 1 1 21  25 1  o 116.1791 17.17860 412.7499       113.5243 388.1302       119.3535 646.4834       367.7510 112.1470 18.81221 137.7892 41.83917 -25.64217      45.87391 
1 1 1 21  25 2  o 142.4842 14.25605 610.2867       117.5306 595.8716       123.5242 748.1066       381.9444 140.5323 15.23055 147.5064 42.08628 -6.974121      44.75740 
1 1 1 21  25 3  o 126.1847 16.15762 483.4964       116.8332 458.7340       122.2931 742.3866       395.4241 122.4932 17.52167 146.6196 43.12034 -24.12645      46.54431 
1 1 1 21  25 4  o 61.76081 29.54248 -364.0523      302.8833 -573.9122      478.3755 -223.6327      391.3073 76.04033 36.57021 78.53650 36.27707 -2.496170      51.51122 
1 1 1 21  25 5  o 52.21742 21.22384 36.97841       101.7838 25.77569       105.2212 200.0842       401.4912 51.46849 21.31965 102.0005 41.88679 -50.53201      47.00033 
1 1 1 21  25 6  o 164.8988 13.54409 814.0783       129.8304 830.2068       135.7292 640.5276       445.2348 166.4093 14.03818 136.9808 46.47838 29.42848       48.55214 
1 1 1 21  25 7  o 44.56437 19.53096 -18.60410      97.59906 16.77176       100.5265 -599.5950      407.3913 49.33683 20.66856 67.36996 32.72364 -18.03312      38.70434 
1 1 1 21  25 8  o 124.3364 16.94760 471.8180       120.3689 471.8180       120.3689 0.000000       0.000000 124.3364 16.94760 ?        ?        0.000000       16.94760 
1 1 1 21  25 9  o 87.70387 21.34636 243.1229       108.7459 243.1229       108.7459 0.000000       0.000000 87.70387 21.34636 ?        ?        0.000000       21.34636 
1 1 1 21  25 10 o 242.7593 29.68438 1882.079       413.8425 1882.079       413.8425 0.000000       0.000000 242.7593 29.68438 ?        ?        0.000000       29.68438 
1 1 1 21  25 11 o 204.0017 12.25257 1241.392       145.9168 1241.392       145.9168 0.000000       0.000000 204.0017 12.25257 ?        ?        0.000000       12.25257 
1 1 1 21  25 12 o 50.65016 20.50492 37.58370       94.56853 37.58370       94.56853 0.000000       0.000000 50.65016 20.50492 ?        ?        0.000000       20.50492 
1 1 1 21  25 13 o 74.60367 20.12329 175.6934       90.05405 175.6934       90.05405 0.000000       0.000000 74.60367 20.12329 ?        ?        0.000000       20.12329 
1 1 1 21  25 14 o 157.1680 12.58798 741.4571       115.0608 741.4571       115.0608 0.000000       0.000000 157.1680 12.58798 ?        ?        0.000000       12.58798 
1 1 1 21  25 15 o 91.84960 18.22932 265.3675       94.73094 265.3675       94.73094 0.000000       0.000000 91.84960 18.22932 ?        ?        0.000000       18.22932 
1 1 1 21  25 16 o 36.11353 16.44133 -43.01620      76.52866 -25.82519      78.92024 -313.8335      313.2390 38.62894 17.21428 63.41522 30.25402 -24.78627      34.80858 
1 1 1 21  25 17 o 45.58701 18.48273 31.06472       76.96663 40.80682       80.10799 -85.89442      277.5663 47.76639 19.03192 68.81982 31.32382 -21.05344      36.65236 
1 1 1 21  25 18 o 260.3316 9.556205 2017.367       145.6550 1851.766       167.2938 2536.173       296.1088 248.5690 11.50701 286.9195 17.68300 -38.35043      21.09738 
1 1 1 21  25 19 o 149.2949 11.33973 670.5839       98.54568 695.4851       111.1471 579.0690       213.0759 151.6080 12.61463 130.2765 28.66735 21.33145       31.32006 
1 1 1 21  25 20 o 60.13604 19.54992 111.0667       78.97247 105.3857       87.91573 134.8051       179.7138 59.77790 20.64272 73.06006 28.69505 -13.28215      35.34866 
1 1 1 21  25 21 o 63.54885 19.69196 127.4658       80.94664 173.0107       94.82149 5.097267       155.4252 72.99931 21.01494 57.02021 24.82482 15.97911       32.52537 
1 1 1 21  25 22 o 100.4511 14.16065 312.1521       81.11162 418.4633       102.9004 137.7039       131.8137 116.0126 15.51222 68.63814 25.10865 47.37442       29.51395 
1 1 1 21  25 23 o 72.52770 18.11541 170.3083       76.82272 218.9875       98.27526 93.82571       123.1839 81.55701 20.55626 61.48621 23.86987 20.07081       31.50128 
1 1 1 21  25 24 o 121.9392 11.67667 452.3122       82.48607 536.2424       112.3911 354.3239       121.4395 131.4863 14.83335 103.8803 20.66058 27.60592       25.43399 
1 1 1 21  25 25 o 51.33512 18.64877 72.66988       72.53165 67.25317       94.99278 80.24310       112.3216 53.66042 20.92470 57.94771 22.70756 -4.287296      30.87841 
1 1 1 21  25 26 o 125.7072 11.29705 480.4898       82.39935 549.5487       118.9322 416.7409       114.2683 132.4681 15.60793 114.1431 17.63764 18.32495       23.55194 
1 1 1 21  25 27 o 124.2391 11.10592 469.5472       80.06891 469.4579       122.6606 469.6135       105.6935 120.9526 17.82560 122.4675 15.03035 -1.514938      23.31660 
1 1 1 21  25 28 o 74.41253 17.96762 181.9496       77.51804 231.9094       121.0552 147.2244       100.9243 81.85365 23.79904 67.01757 22.11901 14.83608       32.49069 
1 1 1 21  25 29 o 80.06052 17.68468 210.2395       80.81747 177.7143       126.0549 232.9397       105.3088 72.56779 24.72905 82.64439 21.51896 -10.07659      32.78097 
1 1 1 21  25 30 o 44.05260 18.35634 25.04719       78.66319 71.09666       128.8337 -2.324851      99.32782 58.08365 23.77586 44.98296 19.70910 13.10069       30.88268 
1 1 1 21  25 31 o 63.52657 20.24313 133.2864       84.95924 82.47409       137.5628 164.6194       108.0233 60.20601 24.59737 69.71555 22.87757 -9.509541      33.59187 
1 1 1 21  25 32 o 47.93848 19.25674 47.35634       82.69704 111.2840       144.0437 15.92607       101.0006 64.04703 25.52002 47.13972 20.26591 16.90731       32.58802 
1 1 1 21  25 33 f 104.0577 14.47012 342.5601       85.92142 123.6861       153.5061 442.4162       103.6850 66.11033 26.34400 117.9489 15.35297 -51.83859      30.49131 
1 1 1 21  26 0  o 70.03113 22.22521 148.2913       102.4978 126.8914       106.8928 392.5945       361.1667 66.63206 22.77057 113.5688 41.55930 -46.93671      47.38854 
1 1 1 21  26 1  o 78.49734 21.56038 193.5858       102.2843 238.6645       106.3915 -356.6830      371.7139 86.97436 21.08014 70.79516 33.53918 16.17920       39.61375 
1 1 1 21  26 2  o 53.68327 26.57472 -659.9258      311.4592 -1245.539      551.7673 -386.0715      377.3206 68.38522 34.10359 70.40867 33.48159 -2.023445      47.79196 
1 1 1 21  26 3  o 116.6224 16.97055 416.1588       112.6695 416.3612       117.2445 413.7166       407.3056 116.4379 17.72787 117.1895 43.90221 -0.7515945     47.34640 
1 1 1 21  26 4  o 174.3864 13.18910 909.6393       133.8896 886.4033       140.2908 1146.969       448.3571 171.9083 14.03706 181.3694 42.83877 -9.461090      45.07992 
1 1 1 21  26 5  o 213.3643 12.08591 1355.680       150.6164 1345.679       160.0150 1433.389       446.0443 212.3452 12.90995 206.3762 38.26111 5.969070       40.38043 
1 1 1 21  26 6  o 333.1156 18.03580 3354.846       351.0412 2864.168       468.0568 3985.706       530.7218 302.3637 26.66784 357.9830 25.44451 -55.61932      36.85915 
1 1 1 21  26 7  o 194.8486 26.06081 1197.492       290.3467 855.3715       377.9351 1690.219       453.5562 156.6581 40.75366 225.9534 35.38709 -69.29530      53.97321 
1 1 1 21  26 8  o 343.4540 17.49682 3565.086       351.2731 3261.689       464.2447 3971.435       537.2674 323.7939 24.63196 356.4008 25.88037 -32.60693      35.72851 
1 1 1 21  26 9  o 230.8708 11.95031 1588.390       161.2568 1588.390       161.2568 0.000000       0.000000 230.8708 11.95031 ?        ?        0.000000       11.95031 
1 1 1 21  26 10 o 119.6616 15.46697 436.4357       106.0086 436.4357       106.0086 0.000000       0.000000 119.6616 15.46697 ?        ?        0.000000       15.46697 
1 1 1 21  26 11 o 356.9502 20.61407 3913.947       429.7053 3913.947       429.7053 0.000000       0.000000 356.9502 20.61407 ?        ?        0.000000       20.61407 
1 1 1 21  26 12 o 131.0516 13.53234 519.1054       102.5137 519.1054       102.5137 0.000000       0.000000 131.0516 13.53234 ?        ?        0.000000       13.53234 
1 1 1 21  26 13 o 134.0668 13.29497 543.2908       103.1589 543.2908       103.1589 0.000000       0.000000 134.0668 13.29497 ?        ?        0.000000       13.29497 
1 1 1 21  26 14 o 134.4958 39.18039 659.4637       327.8137 659.4637       327.8137 0.000000       0.000000 134.4958 39.18039 ?        ?        0.000000       39.18039 
1 1 1 21  26 15 o 124.4053 13.52259 470.4958       97.07636 470.4958       97.07636 0.000000       0.000000 124.4053 13.52259 ?        ?        0.000000       13.52259 
1 1 1 21  26 16 o 181.6177 10.71428 987.0859       113.6156 955.4861       122.2981 1186.228       307.0151 178.3108 11.76043 188.5169 28.67114 -10.20610      30.98939 
1 1 1 21  26 17 o 139.7795 11.68946 589.0554       94.95049 576.8905       101.5769 673.2730       267.2648 137.9830 12.69434 137.5752 33.45258 0.4077759      35.78019 
1 1 1 21  26 18 o 109.8767 12.92373 368.3485       81.68990 320.2137       88.48669 646.0596       212.5419 101.5385 15.33686 138.5164 27.13438 -36.97791      31.16879 
1 1 1 21  26 19 o 164.5797 9.948974 810.6699       95.58114 825.6837       111.5539 769.2126       185.3703 165.5208 11.56438 155.1318 20.90625 10.38902       23.89155 
1 1 1 21  26 20 o 85.19624 14.83629 226.8766       71.43832 226.4729       79.68609 228.5299       161.2420 84.49604 16.67270 83.11815 27.97086 1.377892       32.56298 
1 1 1 21  26 21 o 175.9343 8.867887 923.5101       91.20496 865.6432       112.7896 1032.831       155.0264 169.3609 11.42229 183.5098 14.52275 -14.14890      18.47644 
1 1 1 21  26 22 o 125.6219 10.19814 475.4560       74.48842 463.4709       90.91741 499.9271       129.9137 123.0920 12.77986 125.3741 18.19970 -2.282043      22.23857 
1 1 1 21  26 23 o 107.3001 10.75220 349.1909       66.75184 355.4944       84.20547 338.5305       109.5049 107.1971 13.70709 102.2584 18.95719 4.938675       23.39357 
1 1 1 21  26 24 o 83.14655 12.85674 214.5018       60.67320 282.3387       76.65527 100.7217       99.27551 95.12347 14.17255 59.40213 21.78059 35.72135       25.98567 
1 1 1 21  26 25 o 127.3885 8.825498 486.6987       65.52796 500.0064       88.93913 470.8973       96.91479 127.9456 11.99247 123.4310 13.61387 4.514580       18.14268 
1 1 1 21  26 26 o 189.2194 7.452237 1065.844       82.53777 1090.844       120.8265 1043.972       113.0165 189.8307 10.89870 185.9531 10.40456 3.877594       15.06773 
1 1 1 21  26 27 o 88.53072 11.35238 240.8600       57.58812 179.7133       79.16557 309.5826       83.92660 73.79283 18.36559 99.05563 14.90848 -25.26279      23.65497 
1 1 1 21  26 28 o 236.3559 7.132769 1661.992       98.75925 1623.133       149.2036 1692.291       131.7521 231.2803 11.03174 237.2000 9.490081 -5.919632      14.55201 
1 1 1 21  26 29 o 90.56886 13.71536 257.6647       70.57346 -152.6510      332.4547 277.0272       72.21942 66.70692 31.63641 94.07313 13.47422 -27.36621      34.38630 
1 1 1 21  26 30 o 98.44378 38.99978 423.3866       334.5429 423.3866       334.5429 0.000000       0.000000 98.44378 38.99978 ?        ?        0.000000       38.99978 
1 1 1 21  26 31 o 92.32703 38.85579 345.1919       357.8149 345.1919       357.8149 0.000000       0.000000 92.32703 38.85579 ?        ?        0.000000       38.85579 
1 1 1 21  26 32 o 138.4731 41.42714 904.7803       362.4816 904.7803       362.4816 0.000000       0.000000 138.4731 41.42714 ?        ?        0.000000       41.42714 
1 1 1 21  27 0  f 257.8746 21.70178 2046.309       325.1693 1483.958       535.4279 2374.913       409.2924 203.2849 45.98920 275.4555 25.62969 -72.17062      52.64872 
1 1 1 21  27 1  o 142.9606 37.22725 699.3073       315.1517 968.5103       529.9000 551.9720       392.0190 160.8317 50.46807 127.2107 43.60294 33.62094       66.69514 
1 1 1 21  27 2  o 201.0878 30.03720 1304.945       343.3963 1373.797       540.5648 1258.361       444.6395 193.6404 47.87358 190.2380 41.05840 3.402328       63.06879 
1 1 1 21  27 3  o 279.0141 21.36771 2392.211       346.9904 2389.896       539.0411 2393.850       453.4264 269.0311 34.99238 274.2745 28.60853 -5.243408      45.19861 
1 1 1 21  27 4  o 194.5255 29.89557 1223.741       330.1644 1728.052       498.2178 828.8474       440.8699 224.9482 39.18813 151.0276 45.80000 73.92062       60.27727 
1 1 1 21  27 5  o 234.9004 11.50773 1642.546       158.0520 1589.909       168.8816 2013.925       448.5865 230.7792 12.52466 249.0522 31.40892 -18.27299      33.81401 
1 1 1 21  27 6  o 43.57690 19.14409 -18.76231      94.28035 -30.51958      96.68071 209.2344       425.7462 42.92492 19.09554 102.3739 42.68514 -59.44902      46.76175 
1 1 1 21  27 7  o 65.10854 30.47499 -222.9069      290.7566 -355.4241      401.6939 -77.07079      421.3971 73.38071 34.79381 86.57616 39.08120 -13.19544      52.32542 
1 1 1 21  27 8  o 272.5050 10.81965 2207.933       172.5735 2216.604       184.4016 2146.771       489.7356 272.7784 11.55284 254.3218 33.65993 18.45654       35.58735 
1 1 1 21  27 9  o 147.5050 12.63810 653.9067       108.2774 653.9067       108.2774 0.000000       0.000000 147.5050 12.63810 ?        ?        0.000000       12.63810 
1 1 1 21  27 10 f 239.0415 27.71173 1845.456       381.3074 1845.456       381.3074 0.000000       0.000000 239.0415 27.71173 ?        ?        0.000000       27.71173 
1 1 1 21  27 11 o 332.8480 21.46818 3449.815       416.8400 3449.815       416.8400 0.000000       0.000000 332.8480 21.46818 ?        ?        0.000000       21.46818 
1 1 1 21  27 12 o 85.51218 17.19459 230.0443       83.23997 230.0443       83.23997 0.000000       0.000000 85.51218 17.19459 ?        ?        0.000000       17.19459 
1 1 1 21  27 13 o 73.52895 18.59900 172.5496       80.24791 172.5496       80.24791 0.000000       0.000000 73.52895 18.59900 ?        ?        0.000000       18.59900 
1 1 1 21  27 14 o 169.8158 11.43170 865.9346       113.1883 865.9346       113.1883 0.000000       0.000000 169.8158 11.43170 ?        ?        0.000000       11.43170 
1 1 1 21  27 15 o 58.42453 18.58116 104.8695       71.61006 104.8695       71.61006 0.000000       0.000000 58.42453 18.58116 ?        ?        0.000000       18.58116 
1 1 1 21  27 16 o 34.19966 15.27074 -21.64858      62.42829 -24.36547      64.29330 23.15388       261.0841 34.43285 15.42708 72.50519 31.85508 -38.07234      35.39408 
1 1 1 21  27 17 o 76.06571 16.47203 183.7545       71.35133 197.0780       75.13715 61.44574       227.6536 78.73841 16.78437 71.29264 30.53353 7.445770       34.84267 
1 1 1 21  27 18 o 106.2387 12.34286 344.0844       75.47410 342.5670       82.37119 352.0239       188.4190 105.5729 13.62078 100.2661 29.83705 5.306755       32.79901 
1 1 1 21  27 19 o 80.87228 13.92381 203.7314       63.65789 187.5996       69.15835 293.2137       162.8816 76.92694 15.85641 92.21138 27.81185 -15.28444      32.01445 
1 1 1 21  27 20 o 69.07488 14.90703 151.1429       58.61601 171.4131       64.46228 54.35266       140.8614 73.49696 15.44644 59.14301 24.59758 14.35396       29.04537 
1 1 1 21  27 21 o 67.82082 13.94764 145.0510       53.62375 149.6834       60.46526 127.9853       116.0554 68.50085 15.42336 65.42053 23.61395 3.080315       28.20458 
1 1 1 21  27 22 o 131.7064 8.076327 517.7951       62.08376 538.6425       81.63887 489.2047       95.60535 133.5399 10.50864 126.2047 13.10752 7.335289       16.79996 
1 1 1 21  27 23 o 145.7357 7.187129 631.6098       61.23930 625.4695       84.30157 638.4703       89.10916 144.0760 10.03967 145.3824 10.52225 -1.306473      14.54348 
1 1 1 21  27 24 o 88.13998 12.22161 239.8115       61.47822 199.9973       324.3227 241.2955       62.61344 85.62936 36.55305 88.34370 12.42795 -2.714340      38.60802 
1 1 1 21  27 25 o 62.27372 29.64691 -200.6299      297.5468 -200.6299      297.5468 0.000000       0.000000 62.27372 29.64691 ?        ?        0.000000       29.64691 
1 1 1 21  27 26 o 59.60432 28.74718 -273.9108      300.6015 -273.9108      300.6015 0.000000       0.000000 59.60432 28.74718 ?        ?        0.000000       28.74718 
1 1 1 21  27 27 o 162.8372 34.21247 1038.351       316.3262 1038.351       316.3262 0.000000       0.000000 162.8372 34.21247 ?        ?        0.000000       34.21247 
1 1 1 21  27 28 o 80.82647 35.47242 159.5632       322.9477 159.5632       322.9477 0.000000       0.000000 80.82647 35.47242 ?        ?        0.000000       35.47242 
1 1 1 21  27 29 o 76.23735 34.81346 60.15845       346.4507 60.15845       346.4507 0.000000       0.000000 76.23735 34.81346 ?        ?        0.000000       34.81346 
1 1 1 21  27 30 o 93.10751 37.66732 360.4282       318.8773 360.4282       318.8773 0.000000       0.000000 93.10751 37.66732 ?        ?        0.000000       37.66732 
1 1 1 21  27 31 o 83.30775 36.38347 215.3548       336.1002 215.3548       336.1002 0.000000       0.000000 83.30775 36.38347 ?        ?        0.000000       36.38347 
1 1 1 21  28 0  o 206.2579 12.06491 1270.674       145.3064 1169.173       545.5765 1278.423       150.7514 173.8313 50.51855 206.7533 12.49076 -32.92195      52.03983 
1 1 1 21  28 1  o 265.2793 10.14947 2088.957       157.6143 1792.884       539.3922 2116.597       164.8073 224.8353 42.46215 266.9013 10.54949 -42.06598      43.75301 
1 1 1 21  28 2  o 108.3197 20.04366 368.7301       122.6426 -118.2528      514.8259 398.0288       126.2781 92.67303 42.36411 112.7155 19.82618 -20.04247      46.77387 
1 1 1 21  28 3  o 183.1293 31.10545 1106.274       322.1375 396.1732       502.0466 1603.238       419.9975 116.9353 47.27911 219.1300 33.76378 -102.1947      58.09739 
1 1 1 21  28 4  o 47.91064 20.56696 1.519983       103.7349 -168.3639      437.1925 11.65495       106.7844 83.58565 38.51458 49.72037 21.09024 33.86528       43.91094 
1 1 1 21  28 5  o 121.9786 14.70765 452.9726       103.0939 146.9705       357.1827 480.7817       107.6766 92.20774 38.81443 125.6557 14.90103 -33.44795      41.57645 
1 1 1 21  28 6  o 79.43057 20.44190 201.2665       95.78098 82.13866       400.4744 208.4942       98.64381 91.54614 39.85256 80.78917 20.72103 10.75697       44.91756 
1 1 1 21  28 7  o 190.4270 10.40677 1080.597       115.7820 446.8160       401.3848 1138.118       120.9221 115.1918 43.48991 195.3883 10.59213 -80.19651      44.76121 
1 1 1 21  28 8  o 237.6575 21.95175 1770.924       302.5085 1619.210       408.8658 1954.423       449.6614 218.8268 32.87407 240.8509 32.67566 -22.02411      46.35087 
1 1 1 21  28 9  o 92.79366 40.12442 126.6464       400.3930 126.6464       400.3930 0.000000       0.000000 92.79366 40.12442 ?        ?        0.000000       40.12442 
1 1 1 21  28 10 o 142.2739 40.99002 762.5338       360.6159 762.5338       360.6159 0.000000       0.000000 142.2739 40.99002 ?        ?        0.000000       40.99002 
1 1 1 21  28 11 o 185.5564 35.03411 1213.510       367.2852 1213.510       367.2852 0.000000       0.000000 185.5564 35.03411 ?        ?        0.000000       35.03411 
1 1 1 21  28 12 o 139.1272 41.24763 746.3713       360.6234 746.3713       360.6234 0.000000       0.000000 139.1272 41.24763 ?        ?        0.000000       41.24763 
1 1 1 21  28 13 o 222.2000 28.81179 1656.412       366.6295 1656.412       366.6295 0.000000       0.000000 222.2000 28.81179 ?        ?        0.000000       28.81179 
1 1 1 21  28 14 o 144.0677 41.24412 813.8509       366.2083 813.8509       366.2083 0.000000       0.000000 144.0677 41.24412 ?        ?        0.000000       41.24412 
1 1 1 21  28 15 o 163.4657 23.51824 870.7249       218.9855 1347.961       374.0703 621.8967       270.1072 194.3886 34.05228 130.1310 34.74132 64.25768       48.64685 
1 1 1 21  28 16 o 74.78759 29.54399 144.1219       191.4823 117.0173       362.4351 154.6168       225.5268 86.43530 37.76502 78.66349 31.72983 7.771812       49.32524 
1 1 1 21  28 17 o 54.03929 24.69103 -72.15083      174.5979 -30.49116      361.7194 -84.80541      199.3600 78.32577 35.69225 57.10991 26.20243 21.21586       44.27758 
1 1 1 21  28 18 o 53.81194 23.56357 -1.830650      141.7915 -59.28867      349.4083 9.496760       155.1398 75.42519 34.63632 56.98748 24.80641 18.43771       42.60320 
1 1 1 21  28 19 o 104.1294 9.907410 327.1477       59.77580 77.33566       346.8264 334.7955       60.68390 81.44612 36.20356 105.3399 9.940216 -23.89378      37.54338 
1 1 1 21  28 20 f 149.2167 12.55494 679.5726       108.8527 416.3751       383.3284 702.6577       113.5261 103.4092 41.48690 151.5862 12.89205 -48.17702      43.44385 
1 1 1 21  28 21 o 48.89495 17.61109 66.18856       64.50900 150.9848       377.8097 63.64220       65.47041 86.34048 38.11159 48.51650 17.70380 37.82397       42.02282 
1 1 1 21  28 22 o 83.25031 36.83806 128.6124       355.0752 128.6124       355.0752 0.000000       0.000000 83.25031 36.83806 ?        ?        0.000000       36.83806 
1 1 1 21  28 23 o 83.00996 36.14088 160.0386       329.4354 160.0386       329.4354 0.000000       0.000000 83.00996 36.14088 ?        ?        0.000000       36.14088 
1 1 1 21  28 24 o 91.13451 37.13477 300.2756       312.5263 300.2756       312.5263 0.000000       0.000000 91.13451 37.13477 ?        ?        0.000000       37.13477 
1 1 1 21  28 25 o 99.12804 37.69318 406.8477       302.7963 406.8477       302.7963 0.000000       0.000000 99.12804 37.69318 ?        ?        0.000000       37.69318 
1 1 1 21  28 26 o 101.3411 38.58413 442.5160       317.5331 442.5160       317.5331 0.000000       0.000000 101.3411 38.58413 ?        ?        0.000000       38.58413 
1 1 1 21  28 27 o 94.01001 37.94425 358.6012       322.7456 358.6012       322.7456 0.000000       0.000000 94.01001 37.94425 ?        ?        0.000000       37.94425 
1 1 1 21  28 28 o 147.8548 40.36367 985.2227       359.7486 985.2227       359.7486 0.000000       0.000000 147.8548 40.36367 ?        ?        0.000000       40.36367 
1 1 1 21  28 29 o 76.73416 34.27710 114.6378       314.8734 114.6378       314.8734 0.000000       0.000000 76.73416 34.27710 ?        ?        0.000000       34.27710 
1 1 1 21  28 30 o 69.40347 32.69629 -78.30017      344.2069 -78.30017      344.2069 0.000000       0.000000 69.40347 32.69629 ?        ?        0.000000       32.69629 
1 1 1 21  29 0  f 208.1118 11.54577 1295.300       140.3668 2377.640       527.5967 1212.854       145.6149 263.7635 34.96703 201.0541 12.40978 62.70944       37.10385 
1 1 1 21  29 1  o 99.16876 21.11292 314.9043       119.0239 169.7492       486.8407 324.1320       122.7488 101.3115 44.02372 100.5188 21.47410 0.7926788      48.98188 
1 1 1 21  29 2  o 168.2108 12.61684 851.2469       123.5602 587.7200       418.1642 876.4565       129.3353 125.8782 44.89761 170.5549 13.02873 -44.67671      46.74979 
1 1 1 21  29 3  o 123.0334 16.72293 467.5879       117.5456 84.64491       438.1564 497.2859       122.0185 93.48820 41.16354 126.9087 16.80671 -33.42050      44.46238 
1 1 1 21  29 4  o 126.6150 16.65162 494.8782       120.6553 231.3281       398.2994 521.5062       126.6039 98.86777 41.25960 129.8817 17.03059 -31.01389      44.63625 
1 1 1 21  29 5  o 90.06793 20.73950 260.9409       107.2868 130.4978       396.9099 271.2230       111.4350 92.52209 39.97813 91.72987 21.14687 0.7922211      45.22655 
1 1 1 21  29 6  o 201.1821 10.61112 1208.943       124.7564 414.6109       379.5873 1305.137       132.0946 110.2913 42.13903 208.9802 10.81457 -98.68887      43.50463 
1 1 1 21  29 7  o 53.54049 21.10214 58.01600       97.48730 423.6226       378.8439 32.08950       100.8847 110.4806 42.12538 50.61442 20.91230 59.86618       47.03054 
1 1 1 21  29 8  o 116.9093 14.79570 419.9116       99.17777 473.4143       380.5054 416.0118       102.7287 114.0072 42.48885 116.1171 15.46949 -2.109894      45.21734 
1 1 1 21  29 9  o 87.34805 19.07429 244.5284       94.96861 382.6960       365.2897 234.5126       98.35053 106.0701 41.12495 85.22552 20.01953 20.84457       45.73886 
1 1 1 21  29 10 o 182.1197 10.56308 993.2312       112.3389 1412.081       377.4762 952.5292       117.6706 200.9941 33.17921 178.0599 11.32684 22.93423       35.05935 
1 1 1 21  29 11 o 60.05275 20.18911 108.5670       84.00521 269.7931       361.5010 99.36388       86.36954 96.84815 39.75578 58.53789 20.44635 38.31026       44.70543 
1 1 1 21  29 12 o 154.1805 10.64500 713.8040       95.66464 1761.403       376.2785 641.4105       98.91484 228.4080 28.72341 145.7685 11.66772 82.63948       31.00274 
1 1 1 21  29 13 o 119.1919 12.88482 433.3223       88.63897 450.5324       355.9941 432.1848       91.52133 109.5508 41.04314 118.8644 13.35966 -9.313599      43.16272 
1 1 1 21  29 14 o 181.8255 10.07534 990.1503       107.0197 950.3145       363.9702 993.9203       111.9694 156.4310 39.63261 181.9957 10.53532 -25.56471      41.00898 
1 1 1 21  29 15 o 41.49194 18.07889 -6.097321      82.57247 -512.7599      321.4621 29.69366       85.43919 56.44996 27.76385 46.80424 19.28223 9.645725       33.80289 
1 1 1 21  29 16 f 115.7767 12.31556 408.8742       82.34128 -45.73850      318.3260 441.4736       85.24243 73.17207 33.39720 120.3740 12.24486 -47.20189      35.57119 
1 1 1 21  29 17 o 79.25130 16.27340 200.3832       73.10275 -176.8691      322.7482 220.7839       75.05331 67.30077 31.69181 83.41005 15.92332 -16.10928      35.46721 
1 1 1 21  29 18 o 90.46877 24.08366 279.7549       130.0360 -91.01965      308.4682 359.8840       143.4004 69.18737 32.04646 102.6933 24.20783 -33.50595      40.16211 
1 1 1 21  29 19 o 26.04461 12.95725 -185.6192      77.68649 -44.74157      330.9252 -193.8358      79.91990 73.17441 33.64126 26.26686 13.07996 46.90755       36.09460 
1 1 1 21  29 20 o 109.5380 40.07703 503.1325       335.8400 503.1325       335.8400 0.000000       0.000000 109.5380 40.07703 ?        ?        0.000000       40.07703 
1 1 1 21  29 21 o 70.04825 32.51808 -77.73736      320.3210 -77.73736      320.3210 0.000000       0.000000 70.04825 32.51808 ?        ?        0.000000       32.51808 
1 1 1 21  29 22 o 95.67774 38.74252 352.0049       337.6909 352.0049       337.6909 0.000000       0.000000 95.67774 38.74252 ?        ?        0.000000       38.74252 
1 1 1 21  29 23 o 61.72803 29.85951 -301.3831      330.2542 -301.3831      330.2542 0.000000       0.000000 61.72803 29.85951 ?        ?        0.000000       29.85951 
1 1 1 21  29 24 o 69.18623 32.24841 -68.92681      320.0640 -68.92681      320.0640 0.000000       0.000000 69.18623 32.24841 ?        ?        0.000000       32.24841 
1 1 1 21  29 25 o 60.65874 29.30089 -273.3455      315.2379 -273.3455      315.2379 0.000000       0.000000 60.65874 29.30089 ?        ?        0.000000       29.30089 
1 1 1 21  29 26 o 57.27424 28.22086 -454.2864      337.1992 -454.2864      337.1992 0.000000       0.000000 57.27424 28.22086 ?        ?        0.000000       28.22086 
1 1 1 21  29 27 o 148.2426 38.54226 958.7098       338.1617 958.7098       338.1617 0.000000       0.000000 148.2426 38.54226 ?        ?        0.000000       38.54226 
1 1 1 21  29 28 o 90.26421 38.35995 320.9652       354.3982 320.9652       354.3982 0.000000       0.000000 90.26421 38.35995 ?        ?        0.000000       38.35995 
1 1 1 21  29 29 o 71.28692 33.15017 -13.21334      335.1172 -13.21334      335.1172 0.000000       0.000000 71.28692 33.15017 ?        ?        0.000000       33.15017 
1 1 1 21  30 0  o 282.1495 19.18328 2474.568       315.5457 1721.823       480.4616 3045.512       418.4380 216.8739 39.21790 309.1281 23.25074 -92.25414      45.59211 
1 1 1 21  30 1  o 184.6892 12.29074 1027.511       132.3707 1582.490       472.3695 980.2167       137.8957 206.3010 40.48820 180.0249 13.15146 26.27605       42.57059 
1 1 1 21  30 2  f 209.4900 24.22902 1416.286       292.1994 1440.822       452.9711 1398.800       382.3994 196.2264 40.69680 200.1122 33.78479 -3.885788      52.89274 
1 1 1 21  30 3  o 242.2151 20.81532 1847.060       292.8239 1598.334       442.0685 2041.511       390.8723 210.5428 37.15931 248.9037 27.21972 -38.36081      46.06221 
1 1 1 21  30 4  o 119.3135 18.34280 447.9948       124.2495 107.2521       403.6776 483.6540       130.5893 90.17435 39.61430 123.9740 18.52840 -33.79968      43.73322 
1 1 1 21  30 5  o 134.8290 14.98595 558.2549       116.5003 168.7021       408.4501 592.7529       121.5494 93.61077 40.50195 138.9017 15.16706 -45.29096      43.24868 
1 1 1 21  30 6  o 49.42792 20.92227 17.81256       104.7214 -454.2763      411.8045 50.45232       108.2811 68.57487 33.21259 54.12941 21.93114 14.44547       39.80014 
1 1 1 21  30 7  o 50.07471 21.06552 22.91751       105.1035 -155.0235      405.7254 35.71766       108.8182 77.87242 36.30086 52.32308 21.67799 25.54934       42.28106 
1 1 1 21  30 8  o 168.8297 11.53108 858.4345       113.4891 85.54300       364.6465 941.3298       119.4202 85.37592 37.57333 176.8073 11.58041 -91.43136      39.31744 
1 1 1 21  30 9  o 194.0720 10.65427 1129.482       120.8002 1102.793       362.2373 1132.821       128.1352 172.6439 36.89538 194.0899 11.30575 -21.44601      38.58871 
1 1 1 21  30 10 o 59.52235 21.41906 100.3479       95.39623 0.000000       0.000000 100.3479       95.39623 ?        ?        59.52235 21.41906 0.000000       21.41906 
1 1 1 21  30 11 o 35.90206 16.80769 -78.36003      88.51288 -263.2905      356.7463 -66.22906      91.36988 68.40111 32.53519 37.65620 17.44155 30.74491       36.91540 
1 1 1 21  30 12 o 81.97447 19.36120 218.3499       91.58624 311.2637       366.3648 212.1563       94.58952 98.34858 40.15645 80.58192 20.08658 17.76666       44.90001 
1 1 1 21  30 13 o 66.59969 20.53475 142.3597       88.15225 406.4460       361.8408 125.6968       90.89075 104.6764 40.83288 63.49018 20.99222 41.18619       45.91293 
1 1 1 21  30 14 o 94.90933 17.64174 287.9578       94.58398 603.5798       353.4471 263.6120       98.16415 120.8871 41.40329 90.09678 19.16739 30.79036       45.62479 
1 1 1 21  30 15 o 246.2253 14.48874 1861.392       208.3003 2111.939       364.9843 1740.368       253.6685 251.5676 25.07173 234.7105 18.57969 16.85709       31.20571 
1 1 1 21  30 16 o 106.2395 13.95909 350.1436       84.87270 0.000000       0.000000 350.1436       84.87270 ?        ?        106.2395 13.95909 0.000000       13.95909 
1 1 1 21  30 17 o 46.47639 20.86496 -31.13820      118.2576 -131.5466      317.2901 -14.93994      127.4400 67.94769 31.81400 49.68510 22.02318 18.26259       38.69304 
1 1 1 21  30 18 o 108.7632 39.16221 489.0864       318.9642 489.0864       318.9642 0.000000       0.000000 108.7632 39.16221 ?        ?        0.000000       39.16221 
1 1 1 21  30 19 o 107.9130 38.76274 485.1820       312.2746 485.1820       312.2746 0.000000       0.000000 107.9130 38.76274 ?        ?        0.000000       38.76274 
1 1 1 21  30 20 f 76.00543 34.10612 58.22364       315.5827 58.22364       315.5827 0.000000       0.000000 76.00543 34.10612 ?        ?        0.000000       34.10612 
1 1 1 21  30 21 o 238.3820 24.31115 1931.885       335.1308 1931.885       335.1308 0.000000       0.000000 238.3820 24.31115 ?        ?        0.000000       24.31115 
1 1 1 21  30 22 o 82.84872 35.89003 185.5461       321.5261 185.5461       321.5261 0.000000       0.000000 82.84872 35.89003 ?        ?        0.000000       35.89003 
1 1 1 21  30 23 o 95.36977 38.18439 373.1981       324.0489 373.1981       324.0489 0.000000       0.000000 95.36977 38.18439 ?        ?        0.000000       38.18439 
1 1 1 21  30 24 o 72.44725 33.36445 -0.2852415     327.4705 -0.2852415     327.4705 0.000000       0.000000 72.44725 33.36445 ?        ?        0.000000       33.36445 
1 1 1 21  30 25 o 78.71101 35.49781 112.8341       346.7292 112.8341       346.7292 0.000000       0.000000 78.71101 35.49781 ?        ?        0.000000       35.49781 
1 1 1 21  30 26 o 69.23943 32.70581 -95.26940      348.6062 -95.26940      348.6062 0.000000       0.000000 69.23943 32.70581 ?        ?        0.000000       32.70581 
1 1 1 21  30 27 o 116.5897 42.10071 681.8989       368.9442 681.8989       368.9442 0.000000       0.000000 116.5897 42.10071 ?        ?        0.000000       42.10071 
1 1 1 21  30 28 o 113.6217 41.62402 652.7457       362.4441 652.7457       362.4441 0.000000       0.000000 113.6217 41.62402 ?        ?        0.000000       41.62402 
1 1 1 21  31 0  o 226.3080 11.11356 1537.431       147.0528 1592.362       435.4677 1530.361       156.2302 208.4097 36.98199 225.4256 11.85882 -17.01590      38.83683 
1 1 1 21  31 1  o 82.55099 24.01425 226.0081       123.2258 -101.8816      418.2113 257.1814       128.9505 80.62867 37.33479 87.75203 24.24990 -7.123360      44.51903 
1 1 1 21  31 2  o 136.6798 16.60997 581.1853       130.4147 456.5892       426.0417 594.0673       136.9907 110.8954 43.98603 137.8674 17.32412 -26.97205      47.27468 
1 1 1 21  31 3  o 112.1743 19.47146 402.5048       123.4544 371.0262       388.6388 406.0377       130.1980 104.0967 41.76966 112.1737 20.54775 -8.076996      46.55013 
1 1 1 21  31 4  o 181.0698 12.85570 994.0943       135.6309 662.4866       420.4301 1032.614       143.2920 126.0873 45.01392 184.3279 13.34539 -58.24062      46.95053 
1 1 1 21  31 5  o 51.20372 21.84690 16.39541       115.7527 253.8334       416.0092 -3.529787      120.5117 97.28372 41.45938 50.03399 21.82018 47.24973       46.85083 
1 1 1 21  31 6  o 116.8092 18.06214 431.7782       119.7478 604.9266       407.4832 415.4116       125.2795 121.2204 44.17728 113.8889 19.45443 7.331490       48.27118 
1 1 1 21  31 7  o 60.46776 22.25090 100.9567       103.7585 -115.6834      367.1471 119.7609       108.1679 75.09268 34.84402 63.91177 22.83055 11.18091       41.65741 
1 1 1 21  31 8  f 251.8774 9.602130 1894.944       141.5830 2088.428       400.3314 1867.283       151.3654 248.4925 27.95416 249.6566 10.36043 -1.164093      29.81231 
1 1 1 21  31 9  o 245.3231 10.09013 1801.753       144.8631 1936.281       395.8091 1780.946       155.6634 237.7942 28.97921 243.4689 10.92952 -5.674728      30.97174 
1 1 1 21  31 10 o 117.0999 15.90958 428.2965       106.4379 517.5592       373.0415 420.3856       111.0543 113.3678 42.10478 115.5650 16.88377 -2.197235      45.36380 
1 1 1 21  31 11 o 53.07977 21.16823 57.27877       99.19064 284.0026       355.5465 38.14349       103.2917 94.97463 39.25145 51.22211 21.16154 43.75252       44.59245 
1 1 1 21  31 12 o 35.39796 16.71932 -91.60483      91.07085 -257.3859      346.4984 -79.30273      94.38943 66.62012 31.79316 37.19194 17.39373 29.42819       36.24012 
1 1 1 21  31 13 o 79.99071 21.34750 213.3006       102.0084 325.4543       337.1500 201.9992       107.0247 96.25689 38.80635 77.69885 22.31340 18.55804       44.76406 
1 1 1 21  31 14 o 96.93787 17.78648 302.3816       97.39402 643.6486       328.0269 269.3888       101.9933 123.9892 39.80458 90.49259 19.77204 33.49657       44.44478 
1 1 1 21  31 15 o 73.77497 19.44172 179.5394       85.28659 289.3567       328.3354 171.5937       88.31813 92.46563 37.91489 72.02872 20.13086 20.43691       42.92774 
1 1 1 21  31 16 f 56.93299 24.71800 19.94873       153.1996 4.483277       339.9149 23.89104       171.6184 75.81191 34.56715 59.85858 26.07292 15.95333       43.29764 
1 1 1 21  31 17 o 65.87245 31.34867 -204.9637      332.0673 -204.9637      332.0673 0.000000       0.000000 65.87245 31.34867 ?        ?        0.000000       31.34867 
1 1 1 21  31 18 o 60.46072 29.30305 -325.2379      321.9940 -325.2379      321.9940 0.000000       0.000000 60.46072 29.30305 ?        ?        0.000000       29.30305 
1 1 1 21  31 19 o 77.02213 34.20140 93.39714       308.7155 93.39714       308.7155 0.000000       0.000000 77.02213 34.20140 ?        ?        0.000000       34.20140 
1 1 1 21  31 20 o 272.8827 21.40857 2460.039       339.8798 2460.039       339.8798 0.000000       0.000000 272.8827 21.40857 ?        ?        0.000000       21.40857 
1 1 1 21  31 21 o 78.53761 35.14336 109.2946       332.5164 109.2946       332.5164 0.000000       0.000000 78.53761 35.14336 ?        ?        0.000000       35.14336 
1 1 1 21  31 22 o 126.0560 40.66180 733.1428       342.0298 733.1428       342.0298 0.000000       0.000000 126.0560 40.66180 ?        ?        0.000000       40.66180 
1 1 1 21  31 23 o 121.0099 40.00622 675.6144       330.1120 675.6144       330.1120 0.000000       0.000000 121.0099 40.00622 ?        ?        0.000000       40.00622 
1 1 1 21  31 24 o 103.3360 40.76755 509.1262       364.1655 509.1262       364.1655 0.000000       0.000000 103.3360 40.76755 ?        ?        0.000000       40.76755 
1 1 1 21  31 25 o 79.89660 36.42451 119.9550       377.2563 119.9550       377.2563 0.000000       0.000000 79.89660 36.42451 ?        ?        0.000000       36.42451 
1 1 1 21  31 26 o 80.85971 36.25465 163.0143       355.7946 163.0143       355.7946 0.000000       0.000000 80.85971 36.25465 ?        ?        0.000000       36.25465 
1 1 1 21  31 27 o 68.87199 32.92122 -136.3609      374.7298 -136.3609      374.7298 0.000000       0.000000 68.87199 32.92122 ?        ?        0.000000       32.92122 
1 1 1 21  32 0  f 161.9277 14.32193 804.5441       134.6099 821.7604       398.4814 802.3265       143.0171 139.3822 43.76855 161.1999 15.31129 -21.81770      46.36941 
1 1 1 21  32 1  o 167.9274 13.54859 860.9070       132.3020 466.1424       402.8279 908.6383       140.0722 109.5811 42.98447 172.3298 13.97922 -62.74869      45.20049 
1 1 1 21  32 2  o 96.51617 23.04864 311.2740       128.6632 91.36894       411.5918 335.0900       135.4514 87.48902 39.12771 99.99791 23.49701 -12.50889      45.64085 
1 1 1 21  32 3  o 32.42891 16.17742 -305.8146      124.5840 -794.8300      413.2384 -256.9235      130.6636 59.53782 29.66301 35.59989 17.54620 23.93793       34.46394 
1 1 1 21  32 4  o 32.98619 16.30909 -243.6212      116.0124 -50.88919      374.9962 -264.0199      121.9973 78.10029 35.87117 33.45737 16.57471 44.64292       39.51534 
1 1 1 21  32 5  o 248.5789 10.05765 1850.663       146.3233 1811.156       391.5087 1857.077       157.7554 228.3516 29.95554 248.5877 10.84678 -20.23607      31.85886 
1 1 1 21  32 6  o 60.39174 22.30819 101.3216       104.4627 499.6740       365.4061 65.86743       109.0124 111.5874 41.62738 55.81897 22.21427 55.76844       47.18382 
1 1 1 21  32 7  o 65.76499 22.89252 132.9516       108.2210 55.80828       377.0258 139.8782       112.9752 82.74068 37.19132 67.21944 23.39049 15.52123       43.93528 
1 1 1 21  32 8  o 110.9616 17.31452 390.6618       108.9990 309.3521       383.9479 397.7893       113.6759 97.15681 40.52475 111.6777 17.96532 -14.52091      44.32841 
1 1 1 21  32 9  o 184.4487 12.41203 1034.394       133.4852 875.9880       368.7246 1058.285       143.1982 144.8863 41.35570 186.1450 13.20272 -41.25868      43.41204 
1 1 1 21  32 10 o 57.40551 22.61921 76.54438       111.9807 -12.12908      343.9471 87.05817       118.4334 76.06488 34.71664 59.65885 23.33509 16.40603       41.83028 
1 1 1 21  32 11 o 82.20417 21.55037 226.6391       105.1450 193.9416       323.7251 230.4953       111.1723 85.89159 36.58763 82.61935 22.39002 3.272247       42.89484 
1 1 1 21  32 12 o 48.41238 20.72408 15.15895       104.7804 288.4922       311.5094 -19.71133      111.2635 91.80364 37.19707 46.06976 20.49039 45.73388       42.46737 
1 1 1 21  32 13 o 53.37081 21.67463 54.30790       106.0501 29.77568       316.5657 57.40910       112.5538 75.25571 33.93095 54.76934 22.29713 20.48637       40.60137 
1 1 1 21  32 14 o 135.8162 14.12843 571.8660       110.8943 301.7036       346.2505 602.7451       117.0604 93.11580 38.63197 139.2450 14.54885 -46.12924      41.28072 
1 1 1 21  32 15 o 56.86446 25.23812 -3.754492      167.9012 -17.49984      348.6202 0.3966855      191.5845 74.87355 34.46123 60.38957 26.87185 14.48398       43.69980 
1 1 1 21  32 16 o 79.95735 35.41189 116.6786       328.8147 116.6786       328.8147 0.000000       0.000000 79.95735 35.41189 ?        ?        0.000000       35.41189 
1 1 1 21  32 17 o 78.22053 34.93197 95.74705       326.7953 95.74705       326.7953 0.000000       0.000000 78.22053 34.93197 ?        ?        0.000000       34.93197 
1 1 1 21  32 18 o 122.9778 39.93045 676.6180       329.5093 676.6180       329.5093 0.000000       0.000000 122.9778 39.93045 ?        ?        0.000000       39.93045 
1 1 1 21  32 19 o 85.73208 36.62812 237.1634       326.1543 237.1634       326.1543 0.000000       0.000000 85.73208 36.62812 ?        ?        0.000000       36.62812 
1 1 1 21  32 20 o 85.26387 36.48591 236.1881       324.5567 236.1881       324.5567 0.000000       0.000000 85.26387 36.48591 ?        ?        0.000000       36.48591 
1 1 1 21  32 21 o 201.8650 32.20653 1558.989       368.4857 1558.989       368.4857 0.000000       0.000000 201.8650 32.20653 ?        ?        0.000000       32.20653 
1 1 1 21  32 22 o 78.36325 35.67593 96.90869       360.3201 96.90869       360.3201 0.000000       0.000000 78.36325 35.67593 ?        ?        0.000000       35.67593 
1 1 1 21  32 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  32 24 o 80.03245 36.97219 98.15147       406.6119 98.15147       406.6119 0.000000       0.000000 80.03245 36.97219 ?        ?        0.000000       36.97219 
1 1 1 21  32 25 o 95.42981 40.65469 420.0926       399.7648 420.0926       399.7648 0.000000       0.000000 95.42981 40.65469 ?        ?        0.000000       40.65469 
1 1 1 21  33 0  o 107.3450 22.94630 386.4451       140.0797 63.18681       403.2769 430.7993       149.3811 84.24458 38.11080 113.3078 23.25926 -29.06317      44.64780 
1 1 1 21  33 1  o 43.53067 20.12427 -75.12127      120.7880 -95.50616      409.0026 -73.17350      126.4270 77.92426 36.36554 44.84365 20.68041 33.08061       41.83458 
1 1 1 21  33 2  o 46.02946 21.02682 -57.86786      126.5342 -891.5136      411.8655 29.01686       132.9647 56.98061 28.57077 55.03920 23.44698 1.941410       36.96011 
1 1 1 21  33 3  o 50.80813 22.06410 5.649996       122.1285 -227.8329      402.9931 29.26196       128.1552 72.54686 34.52774 54.26607 23.06480 18.28079       41.52288 
1 1 1 21  33 4  o 91.14857 23.00622 281.1415       122.9730 191.0128       416.0999 289.7669       128.7229 90.84267 40.05184 92.25335 23.67500 -1.410675      46.52586 
1 1 1 21  33 5  o 66.61413 24.33225 132.9786       123.7194 -241.9592      422.7144 168.1049       129.3850 73.44016 35.06667 72.20004 25.03691 1.240120       43.08734 
1 1 1 21  33 6  o 75.75407 23.62429 192.5469       116.2981 -90.99722      390.0396 220.2154       121.8403 76.02304 35.48959 80.46291 24.00520 -4.439865      42.84578 
1 1 1 21  33 7  o 69.37100 23.63091 155.2780       115.1064 450.7866       392.9471 127.5406       120.3874 104.8970 42.03144 65.39101 23.98357 39.50601       48.39270 
1 1 1 21  33 8  o 95.37704 20.87840 302.7646       113.5390 -0.8884540     368.7560 334.5660       119.3364 77.81160 35.67664 100.3409 20.95607 -22.52934      41.37607 
1 1 1 21  33 9  o 112.5320 20.92016 418.7856       132.9869 514.9207       358.3272 403.4287       143.2154 109.6314 41.15569 109.0961 23.10377 0.5353622      47.19719 
1 1 1 21  33 10 o 116.5892 20.25954 446.2812       133.5034 1039.240       343.9143 341.0746       144.8636 161.9001 37.02706 98.98634 24.96212 62.91374       44.65546 
1 1 1 21  33 11 o 58.51082 23.26428 80.14716       119.4555 -137.8767      343.1862 110.2042       127.4239 69.48956 32.70929 63.35276 24.36183 6.136795       40.78476 
1 1 1 21  33 12 o 113.2003 18.71696 416.1101       119.9219 928.2389       362.8309 353.3032       127.0628 146.8042 40.71875 102.3929 21.82659 44.41128       46.19974 
1 1 1 21  33 13 f 72.98175 23.13116 179.7109       111.0559 180.9463       364.3253 179.5844       116.6054 85.51145 37.59758 73.00398 23.75724 12.50747       44.47453 
1 1 1 21  33 14 o 72.78954 21.54532 178.9183       98.45698 21.27731       348.9534 192.5533       102.6266 76.00998 34.79627 75.27389 21.92054 0.7360916      41.12530 
1 1 1 21  33 15 o 125.7448 19.42110 518.3018       138.6146 523.5112       346.3426 517.3082       151.2571 107.9074 40.47142 124.1729 21.55128 -16.26552      45.85186 
1 1 1 21  33 16 o 109.0961 41.08344 549.7147       357.6798 549.7147       357.6798 0.000000       0.000000 109.0961 41.08344 ?        ?        0.000000       41.08344 
1 1 1 21  33 17 o 62.33476 30.18662 -291.9484      339.9169 -291.9484      339.9169 0.000000       0.000000 62.33476 30.18662 ?        ?        0.000000       30.18662 
1 1 1 21  33 18 f 68.24016 32.22466 -113.7187      337.9810 -113.7187      337.9810 0.000000       0.000000 68.24016 32.22466 ?        ?        0.000000       32.22466 
1 1 1 21  33 19 o 63.87898 30.86567 -263.4167      350.4540 -263.4167      350.4540 0.000000       0.000000 63.87898 30.86567 ?        ?        0.000000       30.86567 
1 1 1 21  33 20 o 58.54949 28.85173 -449.6229      352.7026 -449.6229      352.7026 0.000000       0.000000 58.54949 28.85173 ?        ?        0.000000       28.85173 
1 1 1 21  33 21 o 61.19505 29.80842 -317.0833      344.6034 -317.0833      344.6034 0.000000       0.000000 61.19505 29.80842 ?        ?        0.000000       29.80842 
1 1 1 21  33 22 o 101.5047 41.87979 514.2321       403.8412 514.2321       403.8412 0.000000       0.000000 101.5047 41.87979 ?        ?        0.000000       41.87979 
1 1 1 21  33 23 o 107.6498 43.38611 621.1521       421.2821 621.1521       421.2821 0.000000       0.000000 107.6498 43.38611 ?        ?        0.000000       43.38611 
1 1 1 21  33 24 o 101.6768 42.62383 547.0228       427.9675 547.0228       427.9675 0.000000       0.000000 101.6768 42.62383 ?        ?        0.000000       42.62383 
1 1 1 21  34 0  o 133.4057 45.69151 854.0335       430.4531 854.0335       430.4531 0.000000       0.000000 133.4057 45.69151 ?        ?        0.000000       45.69151 
1 1 1 21  34 1  o 173.9239 13.96586 933.5464       141.2584 859.3329       436.8464 942.2123       149.2782 133.3065 46.01572 174.2417 14.74644 -40.93520      48.32085 
1 1 1 21  34 2  o 36.72383 17.89099 -195.5493      124.2663 -471.8770      425.8396 -169.8281      129.9211 66.31905 32.48219 39.22253 18.91254 27.09652       37.58692 
1 1 1 21  34 3  o 102.0640 22.11680 351.2573       128.5561 693.2335       414.3217 314.8265       135.2304 121.2713 44.49072 95.41050 24.14960 25.86082       50.62240 
1 1 1 21  34 4  o 81.17966 24.61230 227.3630       127.3269 479.1249       425.2989 202.5760       133.4477 105.5362 43.19908 77.13931 25.43338 28.39691       50.13000 
1 1 1 21  34 5  o 84.14487 24.89235 246.0687       131.4536 808.1044       420.0048 185.0346       138.4072 130.0921 45.10944 74.56797 25.89309 55.52418       52.01263 
1 1 1 21  34 6  o 90.15949 23.89208 281.0208       128.3438 424.9306       419.8042 266.1832       134.7979 101.9091 42.43045 87.29809 25.03288 14.61105       49.26447 
1 1 1 21  34 7  o 179.3106 27.41267 1128.121       279.1342 1126.782       405.2440 1129.331       385.0410 160.4708 42.42206 163.7976 40.35005 -3.326767      58.54706 
1 1 1 21  34 8  o 128.7770 19.22486 539.2378       140.7552 -56.56027      375.2870 636.7684       151.8394 75.01577 34.95029 140.2933 18.93744 -65.27749      39.75110 
1 1 1 21  34 9  o 152.8066 17.62212 745.8284       155.0357 844.4403       357.8475 723.0417       172.0180 138.2924 41.11068 148.5389 20.27485 -10.24646      45.83838 
1 1 1 21  34 10 o 141.9236 17.02856 641.3896       138.9099 1434.131       353.8156 496.9304       151.0372 196.3966 31.80471 121.5958 21.98863 74.80085       38.66574 
1 1 1 21  34 11 o 142.8155 15.57200 642.2052       128.3175 881.5974       341.9788 602.9783       138.4320 143.1180 39.46809 137.0546 17.63025 6.063400       43.22680 
1 1 1 21  34 12 o 61.73882 23.74673 106.4015       121.0903 500.2478       375.3515 60.65087       127.9302 105.0165 41.40180 56.83285 23.52174 48.18370       47.61702 
1 1 1 21  34 13 o 131.5971 16.20732 550.6663       122.4463 652.8285       375.8181 538.5334       129.5133 116.5307 42.43244 129.2976 17.53061 -12.76682      45.91115 
1 1 1 21  34 14 o 87.87593 26.91776 281.2661       151.7791 917.4678       375.8995 157.3386       165.9045 140.2254 42.24083 71.33829 27.69953 68.88714       50.51288 
1 1 1 21  34 15 o 73.96698 34.38563 -13.09530      360.1197 -13.09530      360.1197 0.000000       0.000000 73.96698 34.38563 ?        ?        0.000000       34.38563 
1 1 1 21  34 16 o 72.88461 33.83128 -12.71319      346.5778 -12.71319      346.5778 0.000000       0.000000 72.88461 33.83128 ?        ?        0.000000       33.83128 
1 1 1 21  34 17 o 75.43767 34.17719 74.43007       325.7604 74.43007       325.7604 0.000000       0.000000 75.43767 34.17719 ?        ?        0.000000       34.17719 
1 1 1 21  34 18 o 68.45204 32.51007 -124.9827      353.5132 -124.9827      353.5132 0.000000       0.000000 68.45204 32.51007 ?        ?        0.000000       32.51007 
1 1 1 21  34 19 o 66.33363 32.04611 -233.6507      377.3647 -233.6507      377.3647 0.000000       0.000000 66.33363 32.04611 ?        ?        0.000000       32.04611 
1 1 1 21  34 20 f 69.36308 33.20991 -150.3226      384.6956 -150.3226      384.6956 0.000000       0.000000 69.36308 33.20991 ?        ?        0.000000       33.20991 
1 1 1 21  34 21 o 78.03652 36.16057 73.25682       393.3786 73.25682       393.3786 0.000000       0.000000 78.03652 36.16057 ?        ?        0.000000       36.16057 
1 1 1 21  34 22 o 82.01836 38.06258 138.9986       438.3239 138.9986       438.3239 0.000000       0.000000 82.01836 38.06258 ?        ?        0.000000       38.06258 
1 1 1 21  35 0  o 79.10509 32.87552 177.8013       251.3591 280.8818       441.2559 128.2840       305.8303 93.00694 41.11486 78.92820 34.58284 14.07874       53.72527 
1 1 1 21  35 1  o 103.5484 23.91249 371.7343       142.2859 434.7419       465.0033 365.2256       149.4545 101.2590 43.50766 101.7996 25.17526 -0.5405579     50.26639 
1 1 1 21  35 2  o 168.4129 14.74765 883.9835       144.1944 978.4233       446.8129 873.0045       152.3456 139.6324 46.55569 166.6589 15.77432 -27.02657      49.15548 
1 1 1 21  35 3  o 47.09359 21.60688 -59.82433      135.5626 -539.5143      460.4356 -14.29602      141.8500 66.71395 32.89215 51.78632 23.07805 14.92763       40.18072 
1 1 1 21  35 4  o 74.61075 26.68151 186.4456       147.7771 512.1058       469.5308 150.6398       155.6893 105.2219 44.40877 70.38384 26.96343 34.83807       51.95349 
1 1 1 21  35 5  o 203.2673 13.51018 1274.258       160.1428 1234.335       462.9205 1279.685       170.6812 159.1900 46.61175 203.0056 14.43005 -43.81555      48.79428 
1 1 1 21  35 6  o 66.02336 25.95420 120.5040       147.1344 -513.4088      420.3341 209.0228       157.0716 63.96404 31.51543 77.84668 27.54198 -13.88264      41.85431 
1 1 1 21  35 7  o 96.84328 25.55777 334.6047       147.2495 30.56923       408.5363 379.9996       157.8600 79.70577 36.90498 102.9518 26.11048 -23.24605      45.20769 
1 1 1 21  35 8  o 193.1087 13.58362 1153.234       152.8582 1428.108       384.3816 1101.599       166.5980 189.1960 35.95583 187.4380 15.28786 1.757965       39.07097 
1 1 1 21  35 9  o 91.45255 27.81331 308.0916       162.4274 -20.76350      364.3849 389.6385       181.4520 74.44178 34.60033 101.9245 28.98437 -27.48272      45.13620 
1 1 1 21  35 10 o 151.8314 16.96463 737.1509       148.4838 149.3476       359.4911 858.0576       163.0412 81.89390 36.60056 163.6968 17.24130 -81.80289      40.45817 
1 1 1 21  35 11 o 121.7876 22.13417 504.6962       152.2729 0.000000       0.000000 504.6962       152.2729 ?        ?        121.7876 22.13417 0.000000       22.13417 
1 1 1 21  35 12 o 60.99951 24.25869 96.80580       129.9111 252.1736       352.9496 72.45842       139.7199 86.74677 37.59074 59.27236 24.56114 27.47441       44.90337 
1 1 1 21  35 13 o 79.85264 24.37653 226.1514       124.6113 1089.969       358.0721 107.1204       132.9198 158.6935 38.80258 62.50220 24.63849 96.19130       45.96406 
1 1 1 21  35 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  35 15 o 76.98428 35.78101 31.99734       389.6318 31.99734       389.6318 0.000000       0.000000 76.98428 35.78101 ?        ?        0.000000       35.78101 
1 1 1 21  35 16 o 71.94545 34.24771 -105.0050      396.8476 -105.0050      396.8476 0.000000       0.000000 71.94545 34.24771 ?        ?        0.000000       34.24771 
1 1 1 21  35 17 f 129.2450 43.95599 876.2632       398.2452 876.2632       398.2452 0.000000       0.000000 129.2450 43.95599 ?        ?        0.000000       43.95599 
1 1 1 21  35 18 o 119.6970 43.80091 771.0414       401.1751 771.0414       401.1751 0.000000       0.000000 119.6970 43.80091 ?        ?        0.000000       43.80091 
1 1 1 21  35 19 o 147.3118 45.92427 1156.378       439.5207 1156.378       439.5207 0.000000       0.000000 147.3118 45.92427 ?        ?        0.000000       45.92427 
1 1 1 21  35 20 o 65.10194 31.97243 -375.8183      421.3303 -375.8183      421.3303 0.000000       0.000000 65.10194 31.97243 ?        ?        0.000000       31.97243 
1 1 1 21  36 0  o 47.99869 22.21752 -74.11269      147.9014 7.508012       397.2889 -87.24442      159.3556 77.35512 36.01335 49.06762 22.83188 28.28749       42.64101 
1 1 1 21  36 1  o 84.59521 26.62657 259.0917       147.3898 -214.8524      402.5735 332.4544       158.3869 69.89570 33.59777 95.16927 27.08501 -25.27357      43.15563 
1 1 1 21  36 2  f 60.26554 24.98284 75.04218       144.6407 -79.28308      431.0086 94.62773       153.5448 76.17088 36.09457 63.31472 25.94106 12.85616       44.44948 
1 1 1 21  36 3  o 71.21944 26.94135 162.8051       154.2110 -526.0051      471.6539 245.2538       163.1795 66.86095 33.02560 82.23201 28.13321 -15.37106      43.38396 
1 1 1 21  36 4  o 75.08147 27.50724 192.2170       158.2922 252.7669       446.1462 183.4971       169.3069 89.71436 40.38037 74.41399 28.21111 15.30037       49.25892 
1 1 1 21  36 5  f 140.3616 19.54828 648.8284       156.5588 883.0092       439.5246 614.7981       167.5484 128.7150 46.01657 134.7336 21.95942 -6.018539      50.98766 
1 1 1 21  36 6  o 65.73602 26.04433 121.0019       149.2064 -71.69974      419.0268 148.9827       159.6720 75.44030 35.70131 69.76515 27.15026 5.675148       44.85220 
1 1 1 21  36 7  o 88.29345 26.72407 285.6142       150.2018 -1.739174      399.0500 333.0450       162.1247 76.67679 35.82843 94.70351 27.54373 -18.02672      45.19218 
1 1 1 21  36 8  o 89.57508 26.86851 295.6157       152.3262 123.9031       399.3701 324.8489       164.7833 81.65179 37.32087 93.15012 27.94663 -11.49834      46.62469 
1 1 1 21  36 9  o 98.54862 27.23810 360.6620       162.6731 24.75901       383.8340 434.2050       179.6003 76.45414 35.52752 107.6188 28.14210 -31.16467      45.32309 
1 1 1 21  36 10 o 62.65014 25.06767 104.1069       139.5650 584.3771       370.7365 24.80612       150.6473 108.7973 41.62590 55.84576 24.37477 52.95156       48.23738 
1 1 1 21  36 11 o 57.96252 24.46482 58.72814       142.5158 358.8343       357.1582 1.895351       155.4256 92.67520 38.90001 54.54240 24.24070 38.13280       45.83472 
1 1 1 21  36 12 o 101.2067 23.99980 363.6219       140.2779 382.2403       365.4630 360.4049       151.9143 94.03135 39.40159 99.39112 25.82888 -5.359772      47.11281 
1 1 1 21  36 13 f 110.0794 41.59544 610.1311       367.3578 610.1311       367.3578 0.000000       0.000000 110.0794 41.59544 ?        ?        0.000000       41.59544 
1 1 1 21  36 14 o 97.73743 40.75273 457.2199       388.0818 457.2199       388.0818 0.000000       0.000000 97.73743 40.75273 ?        ?        0.000000       40.75273 
1 1 1 21  36 15 o 66.03226 32.46527 -393.9922      438.2944 -393.9922      438.2944 0.000000       0.000000 66.03226 32.46527 ?        ?        0.000000       32.46527 
1 1 1 21  36 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 21  36 17 o 170.5470 45.83570 1487.798       468.2419 1487.798       468.2419 0.000000       0.000000 170.5470 45.83570 ?        ?        0.000000       45.83570 
1 1 1 21  36 18 o 74.93883 35.59857 -30.06055      424.3266 -30.06055      424.3266 0.000000       0.000000 74.93883 35.59857 ?        ?        0.000000       35.59857 
1 1 1 21  37 0  o 57.28674 25.02522 29.89570       159.0905 -356.7239      435.5273 89.42610       170.9003 67.29628 32.93748 63.96924 26.88328 3.327042       42.51574 
1 1 1 21  37 1  o 52.19596 23.80707 -39.88636      161.4032 -90.46070      424.7467 -31.35098      174.4924 74.20781 35.35459 54.66564 24.86368 19.54217       43.22210 
1 1 1 21  37 2  o 63.24002 25.80957 100.7146       151.2594 -36.04849      403.9501 123.0178       163.1274 74.86268 35.31472 66.65781 26.95043 8.204865       44.42359 
1 1 1 21  37 3  o 118.7563 23.17667 491.3349       155.6239 99.62009       403.9578 559.6038       168.6407 80.09538 36.94776 126.5830 23.58375 -46.48762      43.83298 
1 1 1 21  37 4  o 117.9938 23.70724 488.7289       158.3561 -305.4735      424.7387 616.9489       170.6609 67.83479 33.05396 133.9478 22.52282 -66.11305      39.99802 
1 1 1 21  37 5  o 61.71388 25.90588 79.15723       158.4175 0.000000       0.000000 79.15723       158.4175 ?        ?        61.71388 25.90588 0.000000       25.90588 
1 1 1 21  37 6  o 44.99163 21.35511 -129.8603      152.0853 203.5825       416.6757 -181.1100      163.3553 85.02602 38.57368 44.25610 21.30611 40.76992       44.06676 
1 1 1 21  37 7  o 53.21516 23.43695 10.35520       142.1222 458.3361       401.9889 -53.63965      151.9346 98.21951 41.25087 49.72923 22.83766 48.49027       47.15074 
1 1 1 21  37 8  o 60.66155 25.09006 82.88926       145.4292 523.1131       388.0605 10.96023       156.8609 102.6210 41.53968 55.33891 24.48613 47.28214       48.21945 
1 1 1 21  37 9  o 44.81133 21.32895 -137.4648      153.8381 -649.6779      397.3523 -47.15137      166.8501 57.60616 28.76121 52.38820 24.01186 5.217953       37.46701 
1 1 1 21  37 10 o 76.96831 27.44853 213.8742       156.2870 264.9479       388.2575 203.9984       170.7299 86.53439 38.39411 75.93016 28.42819 10.60423       47.77311 
1 1 1 21  37 11 o 179.6531 17.40429 1045.561       181.0813 1281.899       403.3649 985.9083       202.6496 165.4467 41.61538 171.3000 20.58334 -5.853287      46.42751 
1 1 1 21  37 12 o 136.7473 21.71015 640.6899       168.3016 753.4069       396.1274 615.8612       185.9162 117.8392 43.45662 130.9341 25.12458 -13.09487      50.19683 
1 1 1 21  37 13 o 124.9027 45.43123 888.6490       430.6499 888.6490       430.6499 0.000000       0.000000 124.9027 45.43123 ?        ?        0.000000       45.43123 
1 1 1 21  37 14 o 78.72009 37.14922 45.39239       447.8254 45.39239       447.8254 0.000000       0.000000 78.72009 37.14922 ?        ?        0.000000       37.14922 
1 1 1 21  37 15 o 84.83164 39.37794 200.6897       469.5884 200.6897       469.5884 0.000000       0.000000 84.83164 39.37794 ?        ?        0.000000       39.37794 
1 1 1 21  37 16 o 59.07114 29.60210 -708.9669      439.1192 -708.9669      439.1192 0.000000       0.000000 59.07114 29.60210 ?        ?        0.000000       29.60210 
1 1 1 21  38 0  o 128.7510 22.82048 576.6226       166.0083 -260.5877      437.2792 717.6055       179.4423 69.19790 33.67779 144.8281 21.80162 -75.63020      40.11863 
1 1 1 21  38 1  o 47.38095 22.77150 -183.3712      184.7540 -221.3295      425.3236 -174.5430      205.1164 69.54575 33.69957 50.70290 24.26878 18.84285       41.52872 
1 1 1 21  38 2  o 47.09457 21.98946 -85.50797      149.8627 -36.74095      390.8193 -93.91480      162.2666 73.30264 34.62640 48.58947 22.75055 24.71317       41.43157 
1 1 1 21  38 3  o 135.2058 21.16334 621.6660       162.3146 147.1175       380.9515 726.9251       179.4152 80.26160 36.59536 145.9389 21.61482 -65.67729      42.50201 
1 1 1 21  38 4  o 58.44108 25.46481 40.60982       163.8333 403.1651       399.5631 -32.66420      179.6277 93.66730 40.28910 54.93408 25.07862 38.73323       47.45681 
1 1 1 21  38 5  o 139.3679 20.24545 653.4118       160.6413 301.6832       404.6134 719.2288       175.0272 88.12907 39.14289 145.5086 21.12703 -57.37955      44.48053 
1 1 1 21  38 6  o 71.20140 26.11667 174.8103       142.7585 3.607254       387.8529 201.6394       153.5374 74.32823 34.91986 75.02443 27.14994 -0.6961975     44.23252 
1 1 1 21  38 7  o 50.16537 21.81780 17.74054       119.7913 0.000000       0.000000 17.74054       119.7913 ?        ?        50.16537 21.81780 0.000000       21.81780 
1 1 1 21  38 8  o 89.84378 36.17460 346.0291       292.5640 51.99073       399.9118 684.5989       429.1275 76.58250 35.81139 109.5221 43.91046 -32.93962      56.66201 
1 1 1 21  38 9  o 130.3672 28.41109 644.4603       211.0731 0.000000       0.000000 644.4603       211.0731 ?        ?        130.3672 28.41109 0.000000       28.41109 
1 1 1 21  38 10 o 58.03389 26.48063 -20.68167      199.9530 -220.5491      404.9007 43.78039       229.9480 67.73582 32.83626 65.17738 29.19048 2.558441       43.93523 
1 1 1 21  38 11 o 60.82340 27.20908 22.58564       199.1708 101.9757       430.0993 0.9134452      224.7176 79.70378 37.22752 62.03526 28.21577 17.66853       46.71208 
1 1 1 21  38 12 o 99.16868 42.28329 525.0225       433.0801 525.0225       433.0801 0.000000       0.000000 99.16868 42.28329 ?        ?        0.000000       42.28329 
1 1 1 21  38 13 o 64.80418 31.97355 -409.6500      437.7603 -409.6500      437.7603 0.000000       0.000000 64.80418 31.97355 ?        ?        0.000000       31.97355 
1 1 1 21  39 0  o 53.79450 24.15083 -3.605130      158.4466 8.774596       398.3316 -5.932106      172.6972 74.20185 35.02284 55.48890 25.03613 18.71295       43.05122 
1 1 1 21  39 1  o 90.42288 39.63794 372.1386       402.1958 372.1386       402.1958 0.000000       0.000000 90.42288 39.63794 ?        ?        0.000000       39.63794 
1 1 1 21  39 2  o 66.87241 26.15255 141.5563       148.7399 324.3745       363.0148 104.6720       163.0555 87.70544 38.06393 63.87764 26.50688 23.82780       46.38403 
1 1 1 21  39 3  o 62.69820 25.95060 99.16215       155.7256 179.8975       359.1540 80.46968       172.8152 79.89132 36.07014 62.48107 26.67735 17.41025       44.86353 
1 1 1 21  39 4  o 50.11397 23.20527 -62.95378      161.5678 58.07518       365.9446 -92.25830      180.0686 74.63844 34.68580 51.03333 23.91770 23.60512       42.13266 
1 1 1 21  39 5  o 79.79033 27.94438 240.4590       161.3968 380.4232       383.1506 210.2665       177.9554 91.05815 39.31207 76.05495 28.90185 15.00320       48.79298 
1 1 1 21  39 6  o 61.20410 25.27730 91.99829       147.3137 -102.0776      377.5863 126.8432       159.9926 69.33025 33.11462 65.98403 26.68583 3.346214       42.52895 
1 1 1 21  39 7  o 51.77246 23.24839 -9.458171      146.9200 222.0166       371.4998 -52.37358      159.9607 82.44165 36.99858 50.58463 23.30418 31.85702       43.72619 
1 1 1 21  39 8  o 96.35262 28.50801 363.0331       172.4042 186.8482       355.6440 417.1547       197.1136 80.10603 36.05450 101.3827 30.59886 -21.27668      47.28866 
1 1 1 21  39 9  o 69.16341 30.78338 86.79675       251.5732 0.000000       0.000000 86.79675       251.5732 ?        ?        69.16341 30.78338 0.000000       30.78338 
1 1 1 21  39 10 o 70.52236 30.13648 136.3856       220.8761 190.7690       460.9859 120.1802       251.6420 82.74143 38.61157 71.17265 31.27155 11.56878       49.68665 
1 1 1 21  40 0  o 81.35110 27.96738 255.6979       161.3131 -135.2458      417.7246 324.2167       174.8790 69.91566 33.76178 90.06085 29.07738 -20.14520      44.55729 
1 1 1 21  40 1  o 61.64942 28.66475 -38.22195      250.4381 160.4888       406.3773 -159.9033      318.0026 79.66079 36.85723 62.40589 29.96202 17.25490       47.49924 
1 1 1 21  40 2  o 60.15983 25.79261 69.44341       162.7619 553.8605       424.6283 -13.98586      176.2213 98.95217 42.01817 55.12066 25.03765 43.83151       48.91228 
1 1 1 21  40 3  o 44.23223 21.32936 -176.1833      165.3042 -77.19059      422.1048 -194.1155      179.6536 71.85851 34.50538 45.64017 22.06417 26.21834       40.95668 
1 1 1 21  40 4  o 113.5310 28.05575 499.5017       185.7131 74.39867       425.3659 599.6168       206.4264 76.92654 36.27316 123.8595 28.94139 -46.93293      46.40417 
1 1 1 22  0  0  f 64.79636 40.68019 75.08622       322.1909 75.08622       322.1909 75.08622       322.1909 64.79636 40.68019 64.79636 40.68019 0.000000       0.000000 
1 1 1 22  0  1  o 57.49245 38.15165 -79.26258      340.8950 -79.26258      340.8950 -79.26258      340.8950 57.49245 38.15165 57.49245 38.15165 0.000000       0.000000 
1 1 1 22  0  2  o 65.24689 40.80374 83.44772       320.8204 83.44772       320.8204 83.44772       320.8204 65.24689 40.80374 65.24689 40.80374 0.000000       0.000000 
1 1 1 22  0  3  o 117.1164 48.30867 579.7294       328.8239 579.7294       328.8239 579.7294       328.8239 117.1164 48.30867 117.1164 48.30867 0.000000       0.000000 
1 1 1 22  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  5  o 566.3492 23.17359 9541.987       766.7762 9541.987       766.7762 9541.987       766.7762 566.3492 23.17359 566.3492 23.17359 0.000000       0.000000 
1 1 1 22  0  6  o 91.83335 49.34356 372.4705       366.3436 372.4705       366.3436 372.4705       366.3436 91.83335 49.34356 91.83335 49.34356 0.000000       0.000000 
1 1 1 22  0  7  o 222.2213 30.84353 1552.427       379.8840 1552.427       379.8840 1552.427       379.8840 222.2213 30.84353 222.2213 30.84353 0.000000       0.000000 
1 1 1 22  0  8  o 430.1303 21.81286 5516.098       547.0083 5516.098       547.0083 5516.098       547.0083 430.1303 21.81286 430.1303 21.81286 0.000000       0.000000 
1 1 1 22  0  9  o 317.7873 24.07706 3045.411       442.6667 3045.411       442.6667 3045.411       442.6667 317.7873 24.07706 317.7873 24.07706 0.000000       0.000000 
1 1 1 22  0  10 o 163.0933 47.86032 984.3436       397.6938 984.3436       397.6938 984.3436       397.6938 163.0933 47.86032 163.0933 47.86032 0.000000       0.000000 
1 1 1 22  0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  14 o 259.3510 22.74636 2039.017       339.5894 2039.017       339.5894 2039.017       339.5894 259.3510 22.74636 259.3510 22.74636 0.000000       0.000000 
1 1 1 22  0  15 o 417.3289 17.81082 5169.813       434.1155 5169.813       434.1155 5169.813       434.1155 417.3289 17.81082 417.3289 17.81082 0.000000       0.000000 
1 1 1 22  0  16 o 141.7174 47.12323 777.8203       348.5891 777.8203       348.5891 777.8203       348.5891 141.7174 47.12323 141.7174 47.12323 0.000000       0.000000 
1 1 1 22  0  17 o 40.73997 29.37901 -628.2714      354.3906 -628.2714      354.3906 -628.2714      354.3906 40.73997 29.37901 40.73997 29.37901 0.000000       0.000000 
1 1 1 22  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  19 o 109.0676 49.06378 525.8588       335.8326 525.8588       335.8326 525.8588       335.8326 109.0676 49.06378 109.0676 49.06378 0.000000       0.000000 
1 1 1 22  0  20 o 72.28566 42.42728 194.2820       303.2067 194.2820       303.2067 194.2820       303.2067 72.28566 42.42728 72.28566 42.42728 0.000000       0.000000 
1 1 1 22  0  21 o 248.0998 22.10670 1868.532       315.5139 1868.532       315.5139 1868.532       315.5139 248.0998 22.10670 248.0998 22.10670 0.000000       0.000000 
1 1 1 22  0  22 o 108.7071 46.63193 514.1929       304.1216 514.1929       304.1216 514.1929       304.1216 108.7071 46.63193 108.7071 46.63193 0.000000       0.000000 
1 1 1 22  0  23 o 347.7249 19.84522 3620.388       401.6686 3620.388       401.6686 3620.388       401.6686 347.7249 19.84522 347.7249 19.84522 0.000000       0.000000 
1 1 1 22  0  24 o 88.33882 47.37263 356.5281       337.0578 356.5281       337.0578 356.5281       337.0578 88.33882 47.37263 88.33882 47.37263 0.000000       0.000000 
1 1 1 22  0  25 o 41.48039 29.47865 -397.1513      307.1457 -397.1513      307.1457 -397.1513      307.1457 41.48039 29.47865 41.48039 29.47865 0.000000       0.000000 
1 1 1 22  0  26 o 55.17139 36.95107 -93.49359      332.7410 -93.49359      332.7410 -93.49359      332.7410 55.17139 36.95107 55.17139 36.95107 0.000000       0.000000 
1 1 1 22  0  27 o 114.5528 49.02811 585.1724       336.2815 585.1724       336.2815 585.1724       336.2815 114.5528 49.02811 114.5528 49.02811 0.000000       0.000000 
1 1 1 22  0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  0  29 o 35.16169 25.49993 -556.1083      286.4853 -556.1083      286.4853 -556.1083      286.4853 35.16169 25.49993 35.16169 25.49993 0.000000       0.000000 
1 1 1 22  0  30 o 53.53022 34.87709 8.188459       265.5830 8.188459       265.5830 8.188459       265.5830 53.53022 34.87709 53.53022 34.87709 0.000000       0.000000 
1 1 1 22  0  31 o 42.60052 29.49748 -175.0242      253.0141 -175.0242      253.0141 -175.0242      253.0141 42.60052 29.49748 42.60052 29.49748 0.000000       0.000000 
1 1 1 22  0  32 o 41.45126 28.66014 -157.1266      236.6971 -157.1266      236.6971 -157.1266      236.6971 41.45126 28.66014 41.45126 28.66014 0.000000       0.000000 
1 1 1 22  0  33 o 64.57025 37.05922 187.9356       223.2921 187.9356       223.2921 187.9356       223.2921 64.57025 37.05922 64.57025 37.05922 0.000000       0.000000 
1 1 1 22  0  34 o 41.36158 28.37375 -116.3450      221.3911 -116.3450      221.3911 -116.3450      221.3911 41.36158 28.37375 41.36158 28.37375 0.000000       0.000000 
1 1 1 22  0  35 o 126.7349 35.01852 608.6461       225.0857 608.6461       225.0857 608.6461       225.0857 126.7349 35.01852 126.7349 35.01852 0.000000       0.000000 
1 1 1 22  0  36 o 53.75600 33.08714 100.5148       202.8094 100.5148       202.8094 100.5148       202.8094 53.75600 33.08714 53.75600 33.08714 0.000000       0.000000 
1 1 1 22  0  37 f 61.44674 36.29393 170.9511       224.3258 170.9511       224.3258 170.9511       224.3258 61.44674 36.29393 61.44674 36.29393 0.000000       0.000000 
1 1 1 22  0  38 o 78.06716 39.71371 314.2480       227.8711 314.2480       227.8711 314.2480       227.8711 78.06716 39.71371 78.06716 39.71371 0.000000       0.000000 
1 1 1 22  0  39 o 256.3463 18.84263 2040.910       279.6870 2040.910       279.6870 2040.910       279.6870 256.3463 18.84263 256.3463 18.84263 0.000000       0.000000 
1 1 1 22  0  40 o 36.09659 25.88591 -350.4217      258.6252 -350.4217      258.6252 -350.4217      258.6252 36.09659 25.88591 36.09659 25.88591 0.000000       0.000000 
1 1 1 22  0  41 o 46.04804 31.73174 -123.1070      284.2824 -123.1070      284.2824 -123.1070      284.2824 46.04804 31.73174 46.04804 31.73174 0.000000       0.000000 
1 1 1 22  0  42 o 49.50711 33.46278 -41.95840      284.8456 -41.95840      284.8456 -41.95840      284.8456 49.50711 33.46278 49.50711 33.46278 0.000000       0.000000 
1 1 1 22  1  0  o 184.7228 22.45642 1031.707       238.2909 1117.393       312.9333 913.4539       367.6226 190.5769 28.90402 169.3594 37.95389 21.21753       47.70681 
1 1 1 22  1  1  o 78.40125 31.53225 93.86480       222.0255 150.0687       321.8928 42.85954       306.6448 94.76389 38.01770 85.15932 35.91208 9.604568       52.29745 
1 1 1 22  1  2  o 339.8910 15.51099 3422.336       308.3781 3451.811       428.7352 3390.740       443.8841 339.7426 21.62965 336.4033 22.63044 3.339325       31.30462 
1 1 1 22  1  3  o 401.5076 14.81783 4769.306       348.3239 4911.247       494.6896 4629.734       490.5453 405.7066 20.86080 393.7246 21.32356 11.98199       29.83064 
1 1 1 22  1  4  o 241.6134 27.27435 1776.643       379.7318 1776.643       379.7318 0.000000       0.000000 241.6134 27.27435 ?        ?        0.000000       27.27435 
1 1 1 22  1  5  o 132.2190 33.47217 553.0775       259.7577 757.4068       357.3096 324.0438       378.2935 153.6447 39.45187 113.3382 42.34021 40.30649       57.87178 
1 1 1 22  1  6  o 101.1922 35.03424 289.0803       253.2976 387.5558       345.6060 174.7945       372.3174 116.6503 40.88908 101.3930 40.81416 15.25725       57.77294 
1 1 1 22  1  7  o 809.1817 20.13457 19491.24       955.5181 19167.04       1327.634 19839.64       1376.293 796.0414 28.48346 809.4183 29.03966 -13.37683      40.67689 
1 1 1 22  1  8  o 216.6337 22.24824 1416.231       278.6523 1810.324       390.5271 1007.488       397.7191 243.4106 27.85776 177.0324 39.32872 66.37825       48.19547 
1 1 1 22  1  9  o 367.7812 16.06535 4014.764       345.6856 3763.551       474.5873 4298.678       504.5323 353.8295 22.99484 378.2987 22.84718 -24.46915      32.41537 
1 1 1 22  1  10 o 199.6423 36.16455 1263.570       407.8481 1263.570       407.8481 0.000000       0.000000 199.6423 36.16455 ?        ?        0.000000       36.16455 
1 1 1 22  1  11 o 153.1119 43.37887 764.2717       407.1951 764.2717       407.1951 0.000000       0.000000 153.1119 43.37887 ?        ?        0.000000       43.37887 
1 1 1 22  1  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  1  14 o 328.1552 18.56758 3215.054       355.8850 0.000000       0.000000 3215.054       355.8850 ?        ?        328.1552 18.56758 0.000000       18.56758 
1 1 1 22  1  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  1  16 o 176.9746 24.86363 959.4800       250.9561 821.4935       353.7099 1099.348       356.1135 159.4623 38.30289 186.6256 33.77943 -27.16331      51.07016 
1 1 1 22  1  17 f 50.38666 24.77477 -512.9481      255.3879 -331.8989      345.7140 -730.4365      378.9105 70.08132 32.93837 61.72170 30.31394 8.359623       44.76462 
1 1 1 22  1  18 o 380.1394 13.82589 4277.415       307.7249 4339.937       427.4145 4210.127       443.4031 381.2786 19.17576 375.1439 20.22831 6.134735       27.87283 
1 1 1 22  1  19 o 117.8519 33.89717 438.7163       246.8073 542.4977       342.7901 327.0076       355.6411 130.8140 40.52113 111.2577 41.14988 19.55633       57.75183 
1 1 1 22  1  20 o 342.2450 13.50996 3468.795       270.6373 3302.748       389.0731 3624.452       376.7043 331.9708 20.07778 348.3714 18.50411 -16.40057      27.30420 
1 1 1 22  1  21 o 122.5061 29.96088 476.9165       213.4451 681.3557       312.7140 298.5939       292.0575 144.9662 36.74060 103.9424 37.46788 41.02382       52.47584 
1 1 1 22  1  22 o 250.5946 16.03157 1873.812       234.3768 1786.328       334.5963 1958.090       328.4080 242.1222 23.87356 254.2018 22.25266 -12.07954      32.63630 
1 1 1 22  1  23 o 269.9375 22.51672 2213.966       353.2228 2213.966       353.2228 0.000000       0.000000 269.9375 22.51672 ?        ?        0.000000       22.51672 
1 1 1 22  1  24 o 254.3162 16.70220 1937.796       247.7353 1816.291       336.4219 2081.736       366.1661 243.4981 23.86410 260.6572 24.23035 -17.15906      34.00890 
1 1 1 22  1  25 o 228.7717 17.92211 1576.794       238.5413 1773.766       366.2956 1431.744       314.3318 239.0730 26.57310 215.0470 25.41367 24.02599       36.76934 
1 1 1 22  1  26 o 56.28973 26.59719 -238.5287      230.8788 -260.1254      354.8562 -222.6757      304.0287 72.96921 33.99305 67.97845 31.59923 4.990753       46.41163 
1 1 1 22  1  27 o 211.0735 19.44748 1355.503       238.0348 1175.725       364.6736 1488.961       314.2012 189.6169 34.04371 218.8585 24.92253 -29.24159      42.19131 
1 1 1 22  1  28 o 44.83058 22.25721 -512.6637      224.5692 -714.4022      334.7598 -347.5904      302.8149 55.26288 27.39101 62.05643 29.64443 -6.793549      40.36161 
1 1 1 22  1  29 o 122.8066 29.03976 497.3185       205.8439 247.6747       289.6093 752.1947       292.6286 95.48357 36.72488 148.9798 34.21419 -53.49621      50.19290 
1 1 1 22  1  30 f 71.83242 29.12815 96.71069       191.1939 137.3512       263.5638 51.56994       277.7734 83.06216 34.00432 78.09414 33.59150 4.968025       47.79836 
1 1 1 22  1  31 o 75.78590 29.41926 144.5116       187.1091 64.23798       263.6175 226.0084       265.6184 76.73193 32.85987 89.98078 35.01771 -13.24885      48.02095 
1 1 1 22  1  32 o 80.43258 29.56927 192.0792       183.1639 297.2393       261.2394 90.39857       256.8813 95.77616 35.29569 77.39539 32.76493 18.38078       48.15938 
1 1 1 22  1  33 o 123.5430 24.50579 503.6831       171.2855 728.9484       245.1217 288.7279       239.4466 145.8393 29.66966 93.54904 33.89802 52.29030       45.04846 
1 1 1 22  1  34 o 56.89109 25.13736 -13.78131      164.7526 -151.3523      238.1458 112.5002       228.1652 59.22449 27.67504 75.29077 31.30883 -16.06628      41.78697 
1 1 1 22  1  35 o 111.9121 23.30294 417.4356       147.9691 503.9596       217.8535 343.3337       201.6093 118.2604 31.02844 98.02474 31.17772 20.23568       43.98652 
1 1 1 22  1  36 o 53.22023 23.91021 -34.89478      155.6154 -106.8378      228.0910 27.75253       212.8458 59.45096 27.54371 66.00414 28.88706 -6.553173      39.91389 
1 1 1 22  1  37 o 63.02851 25.72872 83.33770       150.3521 -89.25006      215.1075 248.1969       210.2360 58.30867 26.92049 85.41485 31.62997 -27.10618      41.53514 
1 1 1 22  1  38 o 145.6876 20.41884 692.6576       169.6800 985.9474       255.8039 462.2209       226.7433 168.5718 26.76821 109.9572 32.73361 58.61461       42.28506 
1 1 1 22  1  39 o 115.8071 25.15149 466.9870       165.9227 347.6974       232.4398 590.9242       236.9247 95.37914 33.52520 124.5368 32.20198 -29.15765      46.48555 
1 1 1 22  1  40 o 48.59090 23.19296 -174.6500      184.5566 -263.1424      259.9681 -84.73502      262.0493 55.28411 26.68097 63.21410 29.36823 -7.929985      39.67830 
1 1 1 22  1  41 o 63.32729 28.63001 -9.644313      227.1618 -90.08810      266.0183 206.9737       436.5285 63.12834 29.41645 88.44075 39.86300 -25.31241      49.54176 
1 1 1 22  1  42 o 164.7244 24.55035 940.9321       229.9402 749.8665       316.3756 1154.865       334.7728 130.7191 38.60356 170.5497 34.65271 -39.83060      51.87529 
1 1 1 22  2  0  o 228.2296 19.40171 1557.636       257.2352 1154.234       339.7728 2099.348       393.7341 193.0730 31.05991 263.4290 25.81638 -70.35602      40.38816 
1 1 1 22  2  1  o 283.0591 17.76702 2383.761       293.4582 2143.309       394.0545 2683.167       439.7149 266.2718 25.54671 298.2320 25.38099 -31.96014      36.01151 
1 1 1 22  2  2  o 295.6223 17.26634 2597.412       298.0530 2553.308       401.4378 2651.591       444.9307 291.3825 23.69550 296.2780 25.86510 -4.895508      35.07821 
1 1 1 22  2  3  o 623.3847 16.95053 11517.30       619.1368 11583.68       864.4819 11447.38       887.1411 622.0324 23.74052 617.9303 24.52824 4.102112       34.13571 
1 1 1 22  2  4  o 66.77824 30.20453 -125.5979      253.1904 -15.22652      333.8983 -274.9225      388.3754 84.65198 36.62271 78.32356 36.16527 6.328415       51.46989 
1 1 1 22  2  5  o 521.0784 15.96808 8042.325       487.4090 7676.776       660.9216 8478.173       721.6796 506.6885 22.29580 532.1135 23.18104 -25.42496      32.16307 
1 1 1 22  2  6  o 439.9227 15.68195 5733.372       403.9538 5597.542       541.8167 5903.364       606.1324 432.7769 21.41355 443.6768 23.37682 -10.89996      31.70198 
1 1 1 22  2  7  o 586.7418 16.71815 10209.24       574.7023 10136.35       789.8232 10291.25       837.8005 581.6472 23.20021 585.3910 24.45692 -3.743774      33.71039 
1 1 1 22  2  8  o 465.1777 15.52133 6411.750       422.8534 6168.178       572.1958 6704.824       627.6544 454.0706 21.54824 472.9455 22.69489 -18.87494      31.29512 
1 1 1 22  2  9  o 456.3044 15.79854 6174.149       422.1497 6129.628       584.8892 6222.562       609.9166 452.2568 22.11858 455.3233 22.91386 -3.066559      31.84771 
1 1 1 22  2  10 o 409.0714 21.91262 5018.016       523.7888 5018.016       523.7888 0.000000       0.000000 409.0714 21.91262 ?        ?        0.000000       21.91262 
1 1 1 22  2  11 o 155.1892 40.14342 781.5720       368.0954 781.5720       368.0954 0.000000       0.000000 155.1892 40.14342 ?        ?        0.000000       40.14342 
1 1 1 22  2  12 o 263.5749 28.56074 2130.437       434.4466 2130.437       434.4466 0.000000       0.000000 263.5749 28.56074 ?        ?        0.000000       28.56074 
1 1 1 22  2  13 o 303.3565 20.81902 2761.647       368.1484 2761.647       368.1484 0.000000       0.000000 303.3565 20.81902 ?        ?        0.000000       20.81902 
1 1 1 22  2  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  2  15 o 427.5322 19.40145 5457.919       485.1994 5457.919       485.1994 0.000000       0.000000 427.5322 19.40145 ?        ?        0.000000       19.40145 
1 1 1 22  2  16 o 222.9433 20.67709 1496.130       267.2743 1352.169       372.7316 1648.500       383.4627 208.3295 31.48830 231.4141 28.88114 -23.08456      42.72743 
1 1 1 22  2  17 o 99.85782 35.08680 279.1394       254.5823 626.6909       362.7040 -58.36226      357.4216 139.6364 41.35832 84.57402 37.21060 55.06233       55.63398 
1 1 1 22  2  18 o 296.9876 15.98564 2621.894       277.4058 2209.482       382.6379 3078.816       402.7570 270.0650 24.42213 320.1814 21.57443 -50.11633      32.58675 
1 1 1 22  2  19 o 67.43944 29.85912 -61.71375      233.6118 -22.51627      336.1557 -98.32715      324.8864 83.98837 36.53799 78.21030 34.88514 5.778061       50.51730 
1 1 1 22  2  20 o 95.14871 32.74076 259.3947       221.0930 8.070360       325.5951 474.4349       301.1760 84.45760 36.34895 122.6673 37.97937 -38.20967      52.57070 
1 1 1 22  2  21 o 313.0944 13.93240 2907.849       255.1895 3066.436       366.7486 2759.002       355.3081 319.7520 19.65205 303.0820 20.10276 16.67001       28.11270 
1 1 1 22  2  22 o 303.6515 13.78662 2736.635       244.8778 2688.288       350.9596 2782.501       341.8395 298.9305 20.13621 304.4758 19.24181 -5.545349      27.85164 
1 1 1 22  2  23 o 383.0914 12.23091 4345.856       274.4446 4315.482       389.1883 4375.900       387.0670 379.8131 17.51906 382.5629 17.29647 -2.749786      24.61880 
1 1 1 22  2  24 o 252.9519 16.93090 1918.439       249.7241 1913.810       359.9987 1922.733       346.7029 249.5002 24.93623 250.5585 23.88235 -1.058258      34.52799 
1 1 1 22  2  25 o 48.28122 23.52770 -368.3983      215.3013 -312.5113      327.3628 -410.9991      285.8132 67.42059 31.80015 57.87333 27.94174 9.547260       42.33191 
1 1 1 22  2  26 o 51.53894 24.63487 -264.0668      209.7818 -472.4639      294.7633 -50.17045      298.6271 56.98675 27.71562 76.26640 33.76372 -19.27964      43.68231 
1 1 1 22  2  27 o 119.1866 37.87453 467.6881       297.5758 0.000000       0.000000 467.6881       297.5758 ?        ?        119.1866 37.87453 0.000000       37.87453 
1 1 1 22  2  28 o 250.0916 15.86653 1881.997       231.5190 1655.119       328.5420 2105.794       326.3042 230.3235 24.70793 261.9291 21.42880 -31.60564      32.70589 
1 1 1 22  2  29 o 80.23652 30.67816 162.8604       201.2827 301.3606       278.4722 11.33486       291.2726 99.74368 36.49384 77.68214 33.89952 22.06154       49.80942 
1 1 1 22  2  30 o 98.92631 30.23019 325.1063       191.5799 416.8934       256.1329 208.5419       288.6407 110.3366 35.14710 90.93381 36.16072 19.40283       50.42734 
1 1 1 22  2  31 o 60.19151 26.84412 -37.83844      192.3031 -163.8957      267.2062 97.60129       276.9719 63.59960 29.58416 80.44534 34.03751 -16.84574      45.09739 
1 1 1 22  2  32 o 106.8719 28.55067 389.2993       182.3467 306.8443       263.0036 465.6249       253.0393 96.75038 35.45495 114.1645 34.71384 -17.41410      49.61960 
1 1 1 22  2  33 o 85.10766 28.06238 238.3955       162.4611 129.1286       227.1695 352.7815       232.4302 77.19618 31.58225 100.5394 33.57934 -23.34325      46.09784 
1 1 1 22  2  34 o 166.1417 17.65787 862.1050       169.4229 583.4282       233.3194 1172.948       246.4171 128.1478 31.31498 190.6690 22.46721 -62.52119      38.54094 
1 1 1 22  2  35 o 80.30000 28.25328 210.3959       165.1136 64.19689       246.9528 328.5860       222.0406 72.69739 31.47320 95.96277 32.81766 -23.26538      45.47044 
1 1 1 22  2  36 o 112.3719 23.59850 424.4129       150.5644 565.2754       224.3339 308.9480       203.1056 124.9665 30.80786 93.08344 31.39284 31.88306       43.98449 
1 1 1 22  2  37 o 53.28508 23.63783 -13.24684      147.1033 74.00597       227.3581 -76.07378      192.9273 70.51094 30.36080 55.94232 25.70705 14.56862       39.78229 
1 1 1 22  2  38 o 70.31448 26.88157 145.9249       154.5348 241.5997       216.9203 47.32853       220.2073 84.27866 31.93673 67.35307 29.43204 16.92558       43.43040 
1 1 1 22  2  39 o 200.0861 15.77202 1252.869       183.5825 1033.349       264.9387 1455.620       254.6184 171.5358 27.24534 210.9671 20.85142 -39.43129      34.30874 
1 1 1 22  2  40 o 52.90845 24.36830 -69.74808      174.7388 1.960765       242.1646 -147.6396      252.3884 65.85016 29.68478 59.11104 27.89340 6.739120       40.73362 
1 1 1 22  2  41 o 51.26837 24.87258 -275.5089      233.4905 -361.9825      286.7688 -105.4293      402.1760 54.91085 26.84395 74.04273 35.02091 -19.13189      44.12552 
1 1 1 22  3  0  f 101.2785 34.58510 292.7893       246.5829 192.0793       318.4524 443.5813       389.6704 97.71535 38.25153 124.2087 43.42632 -26.49333      57.87076 
1 1 1 22  3  1  o 315.7723 16.11846 2957.579       297.5151 2930.177       405.5262 2989.520       437.8277 312.6992 22.25821 315.3698 23.84862 -2.670593      32.62185 
1 1 1 22  3  2  o 205.6766 22.60536 1276.753       268.1865 1220.459       347.9911 1359.092       420.8605 198.6429 30.87282 208.1516 35.76369 -9.508652      47.24588 
1 1 1 22  3  3  o 193.8777 32.03565 1168.552       351.5497 1168.552       351.5497 0.000000       0.000000 193.8777 32.03565 ?        ?        0.000000       32.03565 
1 1 1 22  3  4  o 286.3730 17.80483 2441.056       297.5547 2630.192       390.2574 2178.425       459.8719 295.9760 22.65466 266.8355 29.89976 29.14047       37.51305 
1 1 1 22  3  5  o 334.6218 16.47447 3323.624       322.3140 3225.396       426.9257 3453.819       491.5082 327.9721 22.32865 338.5336 24.93077 -10.56146      33.46808 
1 1 1 22  3  6  o 182.9227 25.24569 1021.791       263.6215 752.7592       328.4169 1509.176       442.0379 153.4811 36.93467 219.3637 35.57695 -65.88255      51.28245 
1 1 1 22  3  7  o 494.4302 15.80322 7243.873       457.6600 7050.125       614.6061 7485.011       685.6670 485.5638 21.63676 499.4964 23.47182 -13.93268      31.92296 
1 1 1 22  3  8  o 460.0862 15.83800 6275.756       426.7191 5993.221       565.9819 6647.893       649.5579 447.4861 21.63020 470.4423 23.61850 -22.95618      32.02654 
1 1 1 22  3  9  o 461.9043 21.16752 6383.181       571.8952 6383.181       571.8952 0.000000       0.000000 461.9043 21.16752 ?        ?        0.000000       21.16752 
1 1 1 22  3  10 o 187.5431 33.63261 1108.065       356.3334 1108.065       356.3334 0.000000       0.000000 187.5431 33.63261 ?        ?        0.000000       33.63261 
1 1 1 22  3  11 o 157.0408 39.02112 798.1916       357.8011 798.1916       357.8011 0.000000       0.000000 157.0408 39.02112 ?        ?        0.000000       39.02112 
1 1 1 22  3  12 o 257.1503 27.86398 2025.074       413.5171 2025.074       413.5171 0.000000       0.000000 257.1503 27.86398 ?        ?        0.000000       27.86398 
1 1 1 22  3  13 o 297.8469 21.87891 2669.063       379.5143 2669.063       379.5143 0.000000       0.000000 297.8469 21.87891 ?        ?        0.000000       21.87891 
1 1 1 22  3  14 o 185.8751 34.33587 1094.046       360.5151 1094.046       360.5151 0.000000       0.000000 185.8751 34.33587 ?        ?        0.000000       34.33587 
1 1 1 22  3  15 o 130.5875 31.75683 541.5829       240.8361 213.7188       355.1736 820.6412       327.6735 102.1250 40.26997 160.0431 35.80708 -57.91808      53.88708 
1 1 1 22  3  16 o 409.9938 13.77843 4974.674       330.8339 5872.905       502.0712 4285.364       439.8234 443.5853 19.34565 378.6001 19.87794 64.98523       27.73781 
1 1 1 22  3  17 o 90.39657 34.92980 176.8106       262.8599 515.5821       373.6104 -155.2609      369.8974 129.1177 42.55503 81.04914 36.59808 48.06857       56.12798 
1 1 1 22  3  18 o 292.3166 17.21257 2545.927       293.7808 2571.688       408.6144 2518.363       422.6801 291.6111 24.10756 288.1240 25.26950 3.487091       34.92451 
1 1 1 22  3  19 o 43.45691 21.85810 -751.6633      250.7460 -690.6055      350.0254 -816.0270      359.3763 58.95155 28.98964 57.08574 28.30947 1.865818       40.51945 
1 1 1 22  3  20 o 360.2349 19.89202 3886.677       418.6258 3886.677       418.6258 0.000000       0.000000 360.2349 19.89202 ?        ?        0.000000       19.89202 
1 1 1 22  3  21 o 82.42398 31.88877 145.8520       219.2835 296.0070       321.5138 15.25376       299.8461 105.6653 39.11768 81.56509 34.98964 24.10020       52.48302 
1 1 1 22  3  22 o 82.71111 31.78081 152.9871       216.7318 64.89486       319.0854 228.4378       295.3042 86.97957 36.65396 97.36670 37.17568 -10.38713      52.20675 
1 1 1 22  3  23 o 73.67298 30.46929 63.19489       214.4501 7.307633       327.1128 105.3195       283.9940 83.81942 36.25559 85.67124 35.20990 -1.851822      50.53914 
1 1 1 22  3  24 o 229.1264 16.97879 1575.942       226.5350 1699.646       318.8812 1449.902       321.8777 235.6292 23.38358 216.4406 25.86885 19.18855       34.87104 
1 1 1 22  3  25 o 84.61803 31.71872 180.6060       212.6728 408.0024       296.6992 -59.69564      305.0022 113.7671 37.93759 76.67875 34.02498 37.08836       50.96038 
1 1 1 22  3  26 o 62.47889 27.87936 -62.32530      207.7152 -170.3706      291.1456 49.68013       296.4331 68.67766 31.56684 82.35539 35.04396 -13.67773      47.16508 
1 1 1 22  3  27 o 206.9669 17.95789 1297.366       215.8199 1361.950       316.3210 1241.118       295.2029 208.3605 26.48339 199.0608 25.89977 9.299698       37.04278 
1 1 1 22  3  28 o 161.7405 23.60515 819.5103       217.3143 1177.917       313.7317 488.9383       301.3027 191.7746 28.78189 120.6061 38.08451 71.16844       47.73707 
1 1 1 22  3  29 o 187.0204 18.88343 1073.762       204.2854 1125.714       289.5070 1022.240       288.3030 187.2924 27.14701 177.4772 28.67585 9.815292       39.48752 
1 1 1 22  3  30 o 88.51046 29.89742 248.5897       184.2167 296.7856       271.2568 207.3339       250.9680 97.74512 35.97557 87.97030 34.09300 9.774826       49.56384 
1 1 1 22  3  31 o 89.01128 29.53081 257.9639       179.8248 169.9162       255.9305 343.8172       252.7211 84.21387 33.85983 101.0316 34.99355 -16.81770      48.69329 
1 1 1 22  3  32 f 102.9399 28.56878 361.1787       178.5502 266.1605       255.1859 452.3106       249.9129 92.34055 34.71699 112.5948 34.54993 -20.25425      48.97925 
1 1 1 22  3  33 o 188.8319 16.49365 1099.033       180.8282 1047.829       261.9576 1145.641       249.9259 178.3838 25.78687 188.6173 23.07312 -10.23349      34.60248 
1 1 1 22  3  34 o 78.24249 28.37354 189.7464       167.8022 211.6431       240.5073 168.9772       234.2334 84.96090 33.24709 80.61182 32.39930 4.349075       46.42287 
1 1 1 22  3  35 o 44.49654 21.22894 -168.3636      154.2521 -270.9809      223.2471 -74.61842      213.3781 51.28028 24.74276 59.51833 27.23273 -8.238049      36.79437 
1 1 1 22  3  36 f 42.39762 20.35874 -179.2780      146.9444 -403.2491      229.5832 -23.85439      191.2505 47.29973 23.30225 59.44574 26.62253 -12.14601      35.38013 
1 1 1 22  3  37 o 67.53173 26.18276 124.9260       148.0654 187.1623       222.8078 75.70406       198.1472 79.67643 31.74214 67.63117 28.71001 12.04526       42.79987 
1 1 1 22  3  38 o 70.29620 26.93443 145.5998       155.3722 76.92513       236.8517 197.4750       205.8537 71.08199 30.79820 79.18333 30.82414 -8.101334      43.57358 
1 1 1 22  3  39 o 49.02945 22.87556 -101.3433      161.6864 -370.0285      225.1355 184.8471       232.3536 47.14276 23.19579 78.99178 32.08157 -31.84903      39.58879 
1 1 1 22  3  40 o 75.11235 28.83004 180.5296       178.2222 161.7174       265.2709 196.0076       240.6172 78.43274 33.25391 79.80690 32.55938 -1.374161      46.53961 
1 1 1 22  3  41 o 51.98727 24.62991 -151.7253      200.4978 -117.9764      282.9463 -185.7623      284.1510 63.57861 29.85577 60.84008 28.96650 2.738525       41.59838 
1 1 1 22  4  0  o 304.9717 16.15725 2759.703       287.9553 2704.362       377.0813 2837.122       446.0001 300.5253 21.53736 306.7654 25.00684 -6.240082      33.00303 
1 1 1 22  4  1  o 258.5648 17.96506 1991.846       270.7318 1948.630       349.0357 2057.115       428.9465 254.2621 23.67876 259.7223 28.63544 -5.460129      37.15739 
1 1 1 22  4  2  o 157.8895 28.15764 772.1481       251.1711 1043.126       319.1945 331.5311       407.0234 183.3227 30.77820 115.9970 43.79422 67.32564       53.52785 
1 1 1 22  4  3  o 213.4610 21.43222 1370.975       264.6832 1407.591       331.6751 1306.765       439.2121 214.7898 26.91949 202.9716 38.30065 11.81825       46.81451 
1 1 1 22  4  4  o 72.86007 31.22408 0.9819793      238.3374 -112.1353      298.4743 200.0267       395.9295 74.21578 33.24622 105.3538 42.19876 -31.13799      53.72194 
1 1 1 22  4  5  o 123.3731 34.30261 480.0290       257.1547 485.2593       322.7194 470.9318       425.6158 125.1581 39.40061 127.9988 45.33238 -2.840752      60.06190 
1 1 1 22  4  6  o 76.15361 31.94571 39.98069       240.6458 35.42307       294.1779 49.19938       418.3848 82.88184 35.07411 97.79894 41.62486 -14.91710      54.43182 
1 1 1 22  4  7  o 427.0368 15.55370 5404.625       388.8870 5398.191       513.4733 5413.280       595.5473 425.0741 20.65880 424.2936 24.03136 0.7805176      31.69058 
1 1 1 22  4  8  o 252.8792 25.79860 1943.346       377.2592 1943.346       377.2592 0.000000       0.000000 252.8792 25.79860 ?        ?        0.000000       25.79860 
1 1 1 22  4  9  o 382.3242 21.73478 4383.075       485.3386 4383.075       485.3386 0.000000       0.000000 382.3242 21.73478 ?        ?        0.000000       21.73478 
1 1 1 22  4  10 o 176.3700 34.46474 986.2808       343.7057 986.2808       343.7057 0.000000       0.000000 176.3700 34.46474 ?        ?        0.000000       34.46474 
1 1 1 22  4  11 o 563.1963 22.83528 9523.056       752.6882 9523.056       752.6882 0.000000       0.000000 563.1963 22.83528 ?        ?        0.000000       22.83528 
1 1 1 22  4  12 o 201.6286 36.00781 1290.999       410.1685 1290.999       410.1685 0.000000       0.000000 201.6286 36.00781 ?        ?        0.000000       36.00781 
1 1 1 22  4  13 o 112.6864 43.27785 304.7054       401.7734 304.7054       401.7734 0.000000       0.000000 112.6864 43.27785 ?        ?        0.000000       43.27785 
1 1 1 22  4  14 o 244.4432 27.56913 1830.665       388.3449 1830.665       388.3449 0.000000       0.000000 244.4432 27.56913 ?        ?        0.000000       27.56913 
1 1 1 22  4  15 o 132.9476 33.17866 563.2996       257.8559 398.1427       373.3266 713.9687       356.5764 118.4605 42.40305 148.3700 40.05221 -29.90956      58.32837 
1 1 1 22  4  16 o 54.54912 26.56759 -470.6408      273.4902 -267.5519      379.2904 -690.5868      394.7179 77.09532 35.64823 64.75076 31.61970 12.34456       47.65083 
1 1 1 22  4  17 o 106.5516 36.84183 327.3702       280.0718 413.8314       386.8391 232.1226       406.0193 120.6208 43.16509 107.8776 42.89117 12.74318       60.85127 
1 1 1 22  4  18 o 216.9539 22.98098 1426.253       287.9655 1232.496       395.0361 1645.962       420.6602 197.1759 35.46493 229.9702 32.05986 -32.79430      47.80791 
1 1 1 22  4  19 o 57.54732 27.17263 -257.0742      240.2079 -254.1489      354.5255 -259.5569      326.6006 74.40645 34.42598 70.43037 32.74315 3.976082       47.51065 
1 1 1 22  4  20 o 110.7530 33.20314 384.6583       232.6660 829.3439       354.7013 48.82474       308.2466 159.7362 38.34878 85.00442 35.93435 74.73176       52.55384 
1 1 1 22  4  21 o 52.24150 25.01636 -290.3864      218.4783 -290.4323      327.7321 -290.3496      293.1088 69.00775 32.31773 64.11616 30.19508 4.891594       44.22871 
1 1 1 22  4  22 o 146.0337 25.92656 665.5911       213.9156 581.3357       317.5641 735.5807       289.4337 133.5483 38.46223 151.1340 33.53118 -17.58566      51.02630 
1 1 1 22  4  23 o 196.6283 19.70833 1171.149       224.2118 1392.180       337.7022 996.9122       299.8318 211.3888 27.92177 177.6122 29.84138 33.77661       40.86727 
1 1 1 22  4  24 o 135.6566 27.63126 584.2940       212.3574 532.4639       301.8624 635.0773       298.7985 127.4032 37.72919 138.8085 36.29911 -11.40530      52.35568 
1 1 1 22  4  25 o 56.50655 26.01093 -132.5921      198.6987 -77.87900      277.0692 -190.5261      285.1080 71.90710 32.13496 66.95656 30.94137 4.950539       44.60968 
1 1 1 22  4  26 f 69.50496 29.15736 42.91302       200.4775 114.8274       283.6129 -28.90522      283.4232 85.64317 35.19101 75.54790 33.19096 10.09527       48.37403 
1 1 1 22  4  27 o 122.2069 28.82847 484.3552       203.2504 246.6678       292.0039 707.7406       283.0825 96.93372 36.97783 146.2016 33.70504 -49.26783      50.03389 
1 1 1 22  4  28 o 250.3557 15.36941 1884.253       224.5779 1837.810       315.9720 1931.667       319.2557 243.9602 22.33151 250.3557 21.96592 -6.395462      31.32407 
1 1 1 22  4  29 o 65.08740 27.75947 26.19341       186.7519 42.41192       273.7292 12.07053       255.4332 77.53840 33.34919 73.27584 31.86427 4.262558       46.12482 
1 1 1 22  4  30 o 159.5864 21.13623 799.8913       192.9626 857.8648       284.6429 750.5933       262.4826 159.3366 31.57679 149.1278 31.02341 10.20886       44.26675 
1 1 1 22  4  31 o 86.82121 29.36327 242.4847       177.6945 180.2084       244.7796 311.8665       258.3664 84.14925 33.35249 97.69674 35.23743 -13.54749      48.51871 
1 1 1 22  4  32 o 145.9198 20.58457 675.2100       171.2717 395.4805       228.4086 1034.529       258.8709 106.1301 33.10928 177.8587 25.54992 -71.72868      41.82132 
1 1 1 22  4  33 f 71.83971 27.93725 132.1478       168.9661 334.2714       234.8259 -84.84154      243.3082 98.25476 33.74474 63.78553 29.14535 34.46923       44.58877 
1 1 1 22  4  34 o 255.3936 13.13367 1977.359       196.0584 1818.976       283.2716 2122.993       271.6315 239.5231 20.35803 261.1064 17.84558 -21.58336      27.07239 
1 1 1 22  4  35 o 60.93839 25.39228 58.56711       150.5211 162.3792       227.0715 -22.80416      201.0362 78.73694 31.81020 61.12442 27.34052 17.61251       41.94511 
1 1 1 22  4  36 o 41.87396 20.33854 -230.6440      157.3246 -267.7034      241.7050 -203.4017      207.2329 53.79588 25.90337 51.53964 24.59383 2.256237       35.71891 
1 1 1 22  4  37 o 53.17912 23.76880 -23.08895      151.6377 81.75895       229.8527 -103.8869      201.7762 71.23458 30.59770 55.52872 25.78839 15.70586       40.01575 
1 1 1 22  4  38 o 168.3521 16.54961 892.6898       161.2920 1027.575       249.2935 795.5726       211.5324 173.3394 25.26513 152.9900 24.39424 20.34940       35.11988 
1 1 1 22  4  39 o 83.52020 28.45963 247.2153       166.9562 430.3761       252.0037 103.9295       222.8909 103.8695 34.96802 71.48592 30.40205 32.38358       46.33624 
1 1 1 22  4  40 o 49.66117 23.16203 -97.78383      165.5236 -218.7168      230.9288 29.99563       237.3757 53.25489 25.55909 67.03884 29.86594 -13.78395      39.30956 
1 1 1 22  4  41 o 57.16807 26.07319 -42.60983      193.5520 -41.82437      285.5299 -43.27760      263.2708 67.39864 31.08089 65.17959 29.98044 2.219055       43.18390 
1 1 1 22  5  0  o 82.50183 31.72620 144.3203       216.1096 215.3539       278.4808 36.77748       342.6528 95.85822 36.21717 88.94036 37.75507 6.917862       52.31757 
1 1 1 22  5  1  o 419.3332 15.08494 5204.919       370.3779 4818.052       470.1411 5837.819       601.3323 401.9958 20.00427 441.3250 23.31573 -39.32919      30.72123 
1 1 1 22  5  2  o 324.3132 16.07922 3120.460       304.8764 2979.241       379.1970 3378.645       512.7230 315.6955 20.59316 334.3086 26.36402 -18.61310      33.45354 
1 1 1 22  5  3  o 369.9655 14.93320 4052.811       323.3488 3912.984       417.0266 4263.598       512.0244 362.2205 19.70511 376.9200 23.27634 -14.69955      30.49720 
1 1 1 22  5  4  o 332.0909 16.66986 3275.176       323.6298 3179.553       418.8207 3416.885       509.8530 325.6590 22.05897 336.2209 26.05980 -10.56195      34.14251 
1 1 1 22  5  5  o 293.8734 17.07777 2568.579       293.0669 2713.240       375.8478 2344.198       468.0890 300.8661 21.44093 276.9232 29.26376 23.94293       36.27783 
1 1 1 22  5  6  o 122.6183 34.46802 474.5936       258.1269 245.1099       326.8958 854.6542       420.6879 102.5747 39.12597 162.0488 43.39923 -59.47410      58.43231 
1 1 1 22  5  7  o 245.2565 26.01404 1829.658       368.4791 1829.658       368.4791 0.000000       0.000000 245.2565 26.01404 ?        ?        0.000000       26.01404 
1 1 1 22  5  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  5  10 o 518.7404 22.67085 8077.540       688.0475 8077.540       688.0475 0.000000       0.000000 518.7404 22.67085 ?        ?        0.000000       22.67085 
1 1 1 22  5  11 o 243.9289 27.50595 1822.171       386.6425 1822.171       386.6425 0.000000       0.000000 243.9289 27.50595 ?        ?        0.000000       27.50595 
1 1 1 22  5  12 o 560.1420 14.63267 9293.124       480.2863 9293.124       480.2863 0.000000       0.000000 560.1420 14.63267 ?        ?        0.000000       14.63267 
1 1 1 22  5  13 o 202.1004 38.57477 1310.647       440.5415 1310.647       440.5415 0.000000       0.000000 202.1004 38.57477 ?        ?        0.000000       38.57477 
1 1 1 22  5  14 o 227.4525 23.14662 1567.239       304.4686 1567.239       304.4686 0.000000       0.000000 227.4525 23.14662 ?        ?        0.000000       23.14662 
1 1 1 22  5  15 o 206.0129 21.00013 1280.525       250.1831 1567.132       330.2404 894.4633       383.2790 226.7923 25.25657 165.9698 39.87545 60.82251       47.20112 
1 1 1 22  5  16 o 83.25682 34.72453 65.22427       281.8769 402.9557       395.5888 -283.1107      401.7508 120.1620 43.56634 79.22392 36.65220 40.93811       56.93338 
1 1 1 22  5  17 o 347.6536 21.87910 3629.578       443.8321 3629.578       443.8321 0.000000       0.000000 347.6536 21.87910 ?        ?        0.000000       21.87910 
1 1 1 22  5  18 o 101.8400 36.58658 282.8673       278.2075 368.3047       384.5106 189.0007       403.0323 116.5690 42.84445 104.5524 42.32910 12.01658       60.22790 
1 1 1 22  5  19 o 67.80540 30.14077 -71.41161      240.4039 48.40573       325.3197 -215.5601      356.8252 87.09497 36.87171 76.39627 35.05258 10.69870       50.87442 
1 1 1 22  5  20 o 281.0172 15.44871 2349.355       253.6307 2853.686       367.0585 1888.541       350.8651 308.2157 20.42142 249.1450 24.32187 59.07072       31.75826 
1 1 1 22  5  21 o 56.46876 26.40981 -198.3939      217.6323 -133.4441      310.9076 -260.7932      304.7422 74.09429 33.49630 67.05553 31.32522 7.038757       45.86144 
1 1 1 22  5  22 o 57.29110 26.57711 -167.6427      213.3931 -113.2214      313.1606 -214.8162      291.5624 75.26359 33.85740 67.12231 31.11288 8.141281       45.98190 
1 1 1 22  5  23 o 86.00426 31.75081 191.8295       211.5600 -0.8608254     305.5327 369.3124       293.2285 80.63319 34.95794 110.1472 37.71206 -29.51403      51.42233 
1 1 1 22  5  24 o 244.3845 16.04939 1788.245       228.7560 1753.283       330.4137 1820.430       317.0213 239.0202 23.89050 244.2463 22.37995 -5.226135      32.73558 
1 1 1 22  5  25 o 54.54356 25.44834 -170.6337      200.1035 -588.0862      288.4314 216.7342       277.8438 52.65485 25.97434 93.87984 36.00616 -41.22500      44.39719 
1 1 1 22  5  26 o 82.42449 30.58029 176.7478       196.6824 218.6954       293.2703 142.4583       265.1523 94.99795 36.84404 85.88708 34.48806 9.110863       50.46692 
1 1 1 22  5  27 o 146.9128 24.71935 680.2647       205.4298 561.0372       294.0358 793.9581       287.1306 129.0741 36.95884 155.4568 32.53924 -26.38264      49.24183 
1 1 1 22  5  28 o 114.3405 29.31590 429.4039       197.4968 401.0694       285.3946 455.4420       273.5850 110.7557 37.21217 116.5388 36.21704 -5.783119      51.92706 
1 1 1 22  5  29 o 79.54409 29.78716 170.4362       187.4624 -143.8659      270.5654 460.6159       259.9753 65.85440 30.32789 116.0004 35.16875 -50.14603      46.43945 
1 1 1 22  5  30 o 44.44397 21.49743 -249.4707      171.1158 -162.9244      248.8456 -327.1010      235.6795 61.36131 28.54524 52.14997 25.22585 9.211334       38.09428 
1 1 1 22  5  31 o 74.83214 31.43450 84.99088       233.5018 0.000000       0.000000 84.99088       233.5018 ?        ?        74.83214 31.43450 0.000000       31.43450 
1 1 1 22  5  32 o 131.2964 21.84510 554.0701       162.3041 360.8124       223.3189 770.4406       236.2959 101.8410 32.85668 151.7517 27.56546 -49.91077      42.88841 
1 1 1 22  5  33 o 54.25506 24.24913 -34.55984      157.8183 -56.86549      223.5261 -12.38836      222.8529 62.71907 28.37316 65.52251 29.07881 -2.803444      40.62774 
1 1 1 22  5  34 o 53.17217 23.81491 -34.33133      153.0733 -41.29178      217.4823 -27.49792      215.4883 62.42506 28.13689 63.06011 28.24885 -0.6350517     39.87082 
1 1 1 22  5  35 o 60.31058 25.61098 42.37521       157.7695 38.39565       230.1936 45.90060       216.6604 68.97018 30.11629 68.01312 29.46240 0.9570541      42.13103 
1 1 1 22  5  36 o 59.41343 25.09641 46.82618       150.1560 11.80361       226.6698 74.21375       200.4455 66.31003 29.38290 68.08565 28.88840 -1.775620      41.20551 
1 1 1 22  5  37 o 134.8640 21.09046 596.9566       161.3534 806.6171       240.3519 424.9494       217.7020 151.4147 28.10063 106.2506 32.17634 45.16411       42.71957 
1 1 1 22  5  38 f 63.03138 26.07050 80.24585       157.0192 162.6808       233.2175 11.89511       212.3622 77.37410 31.86486 63.79919 28.34599 13.57491       42.64815 
1 1 1 22  5  39 o 58.27942 25.45608 20.88228       164.5767 -28.68132      238.0896 66.23374       227.7480 63.89207 29.05361 69.01640 30.04904 -5.124321      41.79781 
1 1 1 22  5  40 o 85.44465 28.33488 265.0837       165.5595 470.9557       248.4534 100.6582       222.0398 107.6697 34.64911 70.59799 30.19347 37.07168       45.95874 
1 1 1 22  5  41 o 74.25423 28.67928 175.7727       177.1431 80.05096       254.2592 266.0609       246.9375 71.59290 31.44571 85.88110 33.66455 -14.28820      46.06664 
1 1 1 22  6  0  o 609.2683 13.44915 10957.53       480.5668 11016.04       797.1312 10924.12       602.3354 606.9450 22.43250 606.9381 16.93824 0.6896973E-02  28.10910 
1 1 1 22  6  1  o 149.0175 26.94506 687.4937       226.8213 585.8392       266.2901 956.2103       432.9514 135.9499 33.59489 171.5936 43.08834 -35.64365      54.63719 
1 1 1 22  6  2  o 111.3965 33.44601 384.3727       235.9506 432.3910       278.8466 263.3139       442.7515 118.2154 36.53472 113.5453 44.90274 4.670082       57.88819 
1 1 1 22  6  3  o 239.8004 18.85117 1718.745       262.9874 1676.602       321.7655 1803.549       456.4368 235.5649 23.60830 241.1256 33.15323 -5.560699      40.69998 
1 1 1 22  6  4  o 197.9214 39.61430 1253.542       443.7686 0.000000       0.000000 1253.542       443.7686 ?        ?        197.9214 39.61430 0.000000       39.61430 
1 1 1 22  6  5  o 218.4669 36.66047 1505.533       453.0920 0.000000       0.000000 1505.533       453.0920 ?        ?        218.4669 36.66047 0.000000       36.66047 
1 1 1 22  6  6  o 184.5012 43.09177 1109.480       457.7976 0.000000       0.000000 1109.480       457.7976 ?        ?        184.5012 43.09177 0.000000       43.09177 
1 1 1 22  6  7  o 145.5608 38.81239 682.5051       337.3808 682.5051       337.3808 0.000000       0.000000 145.5608 38.81239 ?        ?        0.000000       38.81239 
1 1 1 22  6  8  o 369.5846 22.23104 4101.757       479.6360 4101.757       479.6360 0.000000       0.000000 369.5846 22.23104 ?        ?        0.000000       22.23104 
1 1 1 22  6  9  o 578.5707 23.03134 10051.77       779.9334 10051.77       779.9334 0.000000       0.000000 578.5707 23.03134 ?        ?        0.000000       23.03134 
1 1 1 22  6  10 o 133.3707 43.46445 557.0649       390.2239 557.0649       390.2239 0.000000       0.000000 133.3707 43.46445 ?        ?        0.000000       43.46445 
1 1 1 22  6  11 o 318.8275 27.11543 3096.799       502.2115 3096.799       502.2115 0.000000       0.000000 318.8275 27.11543 ?        ?        0.000000       27.11543 
1 1 1 22  6  12 o 398.1691 19.78309 4739.915       460.5216 4739.915       460.5216 0.000000       0.000000 398.1691 19.78309 ?        ?        0.000000       19.78309 
1 1 1 22  6  13 o 211.8851 32.09365 1402.347       386.3408 1402.347       386.3408 0.000000       0.000000 211.8851 32.09365 ?        ?        0.000000       32.09365 
1 1 1 22  6  14 o 386.6161 15.62630 4436.684       353.5825 4436.684       353.5825 0.000000       0.000000 386.6161 15.62630 ?        ?        0.000000       15.62630 
1 1 1 22  6  15 o 273.6767 17.36156 2233.365       277.2251 2450.658       364.0922 1933.601       427.6415 285.3640 21.92304 250.5403 29.67973 34.82376       36.89859 
1 1 1 22  6  16 o 116.2505 36.60241 418.5326       278.4977 796.3312       344.7581 -291.0181      472.4720 157.1188 37.86293 87.05904 40.08733 70.05975       55.14160 
1 1 1 22  6  17 o 375.6399 15.65579 4188.294       344.1472 3707.156       454.3909 4835.598       527.0468 351.2150 22.17320 401.1604 22.49175 -49.94537      31.58369 
1 1 1 22  6  18 o 308.9833 17.33570 2845.120       312.8828 3330.488       431.9588 2309.390       453.8161 332.7043 22.26591 274.4079 28.61909 58.29645       36.26049 
1 1 1 22  6  19 o 47.91072 23.69174 -539.4653      245.1513 -523.2917      350.5130 -554.9531      343.0015 63.77383 30.82788 61.78187 30.01328 1.991962       43.02505 
1 1 1 22  6  20 o 256.9557 15.67307 1966.701       235.0672 1930.210       324.6569 2006.911       340.8008 252.6155 22.13713 257.3810 22.81343 -4.765472      31.78844 
1 1 1 22  6  21 o 43.54139 21.62116 -501.7023      212.2994 -387.8434      302.6237 -612.0385      297.9054 61.54919 29.46508 53.68560 26.46659 7.863583       39.60646 
1 1 1 22  6  22 o 93.58637 32.64624 251.5336       220.1484 156.5105       339.6228 320.3948       289.1143 95.29218 38.75506 105.2634 37.35439 -9.971214      53.82662 
1 1 1 22  6  23 o 295.2930 14.09795 2594.539       243.4464 2603.688       365.7139 2587.259       326.2297 293.0694 21.42553 293.1267 19.08026 -0.5734253E-01 28.68989 
1 1 1 22  6  24 o 370.5493 12.51735 4073.080       271.6345 4042.700       399.4821 4099.205       370.4563 366.6191 18.64058 369.8998 17.12309 -3.280701      25.31149 
1 1 1 22  6  25 o 146.0076 25.70502 670.7838       212.0763 572.1675       314.2825 753.2307       287.3643 131.1394 38.40847 151.9350 33.18119 -20.79559      50.75630 
1 1 1 22  6  26 o 143.0766 25.77138 647.1757       208.2979 831.6608       307.0739 489.9371       283.4927 159.0053 33.96140 121.7254 36.68659 37.27993       49.99283 
1 1 1 22  6  27 o 160.5304 23.31139 804.6572       213.0593 650.6590       317.0824 931.4208       287.6813 138.1825 37.96392 169.8307 29.97885 -31.64818      48.37345 
1 1 1 22  6  28 f 64.03481 27.88212 -6.997813      196.1151 102.7142       290.0958 -99.34271      266.1466 84.07603 35.15852 68.09733 30.86776 15.97870       46.78611 
1 1 1 22  6  29 o 182.6014 18.10806 1023.404       191.3701 875.4695       282.9141 1148.184       259.8329 162.1390 30.87941 190.5937 23.75984 -28.45473      38.96239 
1 1 1 22  6  30 o 348.3820 11.27612 3622.615       230.0878 3552.148       326.1171 3692.459       324.6742 341.7141 16.31989 348.7155 15.91742 -7.001465      22.79700 
1 1 1 22  6  31 o 63.24518 26.75099 41.44365       170.9862 15.56342       235.7005 70.19315       248.4228 69.74646 30.46445 75.17648 32.03804 -5.430023      44.20993 
1 1 1 22  6  32 o 163.9120 17.77745 835.1820       168.1626 717.0569       254.8846 926.2327       223.7762 143.7585 31.13429 169.5753 23.10101 -25.81683      38.76855 
1 1 1 22  6  33 o 73.34291 27.42363 153.8656       158.7706 9.030787       239.0578 268.1722       212.3744 68.86652 30.36061 89.93398 32.00502 -21.06747      44.11449 
1 1 1 22  6  34 o 94.88059 26.66717 309.6468       154.5207 489.2239       219.1557 132.1211       217.9003 116.5278 31.37529 75.58597 30.92825 40.94180       44.05639 
1 1 1 22  6  35 o 48.33087 22.50458 -104.8339      155.2402 4.492671       225.3761 -203.5316      214.1403 65.99959 29.26931 52.73917 25.11987 13.26041       38.57072 
1 1 1 22  6  36 o 47.82797 22.24660 -98.13192      151.0656 -190.9622      220.4491 -15.94778      207.4233 53.99587 25.65249 62.02494 27.75533 -8.029068      37.79429 
1 1 1 22  6  37 o 132.1870 21.87805 578.9803       163.6807 674.8317       247.5652 504.5397       218.1702 134.7202 31.84044 116.3646 31.29304 18.35561       44.64379 
1 1 1 22  6  38 o 214.5322 14.07222 1420.519       176.0764 1206.170       260.1076 1601.825       239.2207 188.9752 24.01051 224.0301 18.36830 -35.05489      30.23076 
1 1 1 22  6  39 o 161.5833 17.74799 834.3799       165.4232 931.2354       240.3766 747.2408       228.0011 163.7451 25.89050 144.6140 27.89372 19.13116       38.05756 
1 1 1 22  6  40 o 76.51948 28.25585 197.5050       167.5654 74.07674       243.0463 309.3239       231.3338 70.40259 30.83882 90.20687 33.21910 -19.80428      45.32705 
1 1 1 22  6  41 o 63.79356 26.94202 77.18253       173.0055 196.9480       278.3847 1.821990       220.8267 81.21313 34.23095 63.24435 28.44252 17.96878       44.50544 
1 1 1 22  7  0  o 226.2602 16.40269 1524.157       216.1797 1490.214       273.4433 1580.734       353.0303 222.5922 21.20206 227.6144 26.96956 -5.022171      34.30575 
1 1 1 22  7  1  o 259.7192 13.85301 1997.930       210.2445 2367.025       302.1255 1651.370       292.7570 281.7371 18.38535 234.3200 21.54431 47.41713       28.32275 
1 1 1 22  7  2  o 399.1598 25.48357 4805.702       593.4492 0.000000       0.000000 4805.702       593.4492 ?        ?        399.1598 25.48357 0.000000       25.48357 
1 1 1 22  7  3  o 158.3546 45.41866 816.4017       443.6935 0.000000       0.000000 816.4017       443.6935 ?        ?        158.3546 45.41866 0.000000       45.41866 
1 1 1 22  7  4  o 89.06647 33.26265 191.6574       233.4368 438.7476       277.0690 -412.8301      433.3650 118.7238 36.36895 78.27215 36.81627 40.45162       51.75072 
1 1 1 22  7  5  o 59.79477 27.97912 -228.0214      244.7648 -282.1583      296.6777 -112.6327      433.1315 65.34383 30.64878 90.64002 40.36398 -25.29619      50.68134 
1 1 1 22  7  6  o 179.0295 31.12540 1001.786       314.9485 1001.786       314.9485 0.000000       0.000000 179.0295 31.12540 ?        ?        0.000000       31.12540 
1 1 1 22  7  7  o 81.85268 36.03241 -59.66258      335.5584 -59.66258      335.5584 0.000000       0.000000 81.85268 36.03241 ?        ?        0.000000       36.03241 
1 1 1 22  7  8  o 441.9589 21.18472 5849.551       547.5057 5849.551       547.5057 0.000000       0.000000 441.9589 21.18472 ?        ?        0.000000       21.18472 
1 1 1 22  7  9  o 390.7789 22.04995 4585.117       503.2963 4585.117       503.2963 0.000000       0.000000 390.7789 22.04995 ?        ?        0.000000       22.04995 
1 1 1 22  7  10 o 199.7382 33.62265 1255.874       379.8866 1255.874       379.8866 0.000000       0.000000 199.7382 33.62265 ?        ?        0.000000       33.62265 
1 1 1 22  7  11 o 211.2260 36.00632 1414.615       430.0614 1414.615       430.0614 0.000000       0.000000 211.2260 36.00632 ?        ?        0.000000       36.00632 
1 1 1 22  7  12 o 201.5451 25.23661 1241.876       291.7792 1241.876       291.7792 0.000000       0.000000 201.5451 25.23661 ?        ?        0.000000       25.23661 
1 1 1 22  7  13 o 116.9069 38.55074 416.2662       306.5932 416.2662       306.5932 0.000000       0.000000 116.9069 38.55074 ?        ?        0.000000       38.55074 
1 1 1 22  7  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  7  15 o 161.2093 45.16430 855.1461       443.9740 855.1461       443.9740 0.000000       0.000000 161.2093 45.16430 ?        ?        0.000000       45.16430 
1 1 1 22  7  16 o 323.3833 25.57729 3170.053       481.1428 3170.053       481.1428 0.000000       0.000000 323.3833 25.57729 ?        ?        0.000000       25.57729 
1 1 1 22  7  17 o 226.2369 21.81740 1545.147       285.8925 1530.849       362.3612 1568.721       465.2968 223.0306 28.34222 222.3270 36.98388 0.7036438      46.59494 
1 1 1 22  7  18 o 221.7436 22.79188 1489.791       292.1870 1762.853       402.1196 1184.365       425.2822 239.0549 29.29330 191.5152 39.18555 47.53976       48.92448 
1 1 1 22  7  19 o 87.52489 33.12466 180.6927       233.1824 243.8629       330.9559 118.4202       328.5960 102.1164 39.26339 92.17793 37.87796 9.938438       54.55597 
1 1 1 22  7  20 o 66.14812 29.31558 -59.32536      225.7160 56.24434       317.2397 -177.8124      321.2188 86.36678 36.47974 73.25536 33.47837 13.11141       49.51336 
1 1 1 22  7  21 o 75.84988 31.11296 75.53893       221.1975 248.3184       329.6499 -65.96945      298.3307 101.8366 39.17807 76.05994 33.70584 25.77669       51.68177 
1 1 1 22  7  22 o 61.52394 27.87519 -104.0451      216.7397 33.39315       321.7427 -218.2308      293.2653 84.82850 36.31413 67.07669 31.13032 17.75181       47.83109 
1 1 1 22  7  23 o 161.7314 23.76231 809.6506       218.6738 707.6487       331.9070 887.8868       290.6804 145.9380 38.30298 166.7540 30.85903 -20.81601      49.18738 
1 1 1 22  7  24 o 130.0234 29.87294 544.6503       223.0040 779.9972       324.1817 333.2458       307.2495 153.4982 36.53994 106.8004 38.43876 46.69788       53.03495 
1 1 1 22  7  25 o 95.86998 32.74999 276.3477       221.1133 283.6429       318.6024 269.5691       307.1166 102.6917 38.75183 100.6751 38.03445 2.016571       54.29847 
1 1 1 22  7  26 o 167.9266 23.14374 875.9044       221.8762 611.8082       331.4638 1090.307       298.6553 134.3369 39.47150 185.2719 28.38917 -50.93501      48.62041 
1 1 1 22  7  27 o 159.7144 23.52133 798.5959       213.7311 641.7419       316.8632 929.5366       289.5085 136.9572 38.07644 169.3194 30.26533 -32.36223      48.63954 
1 1 1 22  7  28 o 161.2224 22.20350 813.2794       204.3718 474.5396       305.8985 1086.383       274.6680 118.0266 38.48401 184.6944 26.08250 -66.66776      46.48995 
1 1 1 22  7  29 o 70.60954 28.56332 93.78341       183.3464 -207.3055      269.8702 351.8894       249.8657 62.43040 29.26598 103.0115 34.81944 -40.58115      45.48506 
1 1 1 22  7  30 o 50.40553 23.50516 -130.3873      170.3463 -2.672591      246.3781 -247.3540      235.7830 70.13802 30.87537 55.28804 26.34087 14.84998       40.58485 
1 1 1 22  7  31 o 170.0336 18.30658 898.7703       179.6815 627.4894       251.4610 1181.782       256.8404 133.8951 32.38065 192.0741 23.27476 -58.17902      39.87757 
1 1 1 22  7  32 o 113.1403 24.75648 424.9131       159.6939 370.7744       246.8470 463.8802       209.4221 102.7107 34.60851 115.3352 30.49900 -12.62447      46.12957 
1 1 1 22  7  33 o 67.41872 26.86545 103.8132       159.6437 482.8071       255.1140 -140.1214      204.6703 114.5522 34.86075 54.95602 25.67251 59.59614       43.29376 
1 1 1 22  7  34 o 140.8487 19.77307 634.7388       158.8425 454.0576       227.8678 805.5247       221.5401 111.2605 32.73671 155.2088 25.20169 -43.94827      41.31365 
1 1 1 22  7  35 o 135.5936 21.06197 597.7401       162.0570 447.7369       244.7758 714.8021       216.2352 109.0104 34.31386 144.6944 26.45605 -35.68396      43.32855 
1 1 1 22  7  36 o 106.8582 25.16010 393.2484       155.0501 450.4232       232.3402 347.3417       208.1902 109.1233 33.28033 97.29583 31.74998 11.82751       45.99611 
1 1 1 22  7  37 o 126.7898 22.99750 540.2816       164.7119 432.1062       249.8558 623.4253       219.0483 105.1692 34.80639 131.5485 29.15876 -26.37926      45.40615 
1 1 1 22  7  38 o 51.96679 23.70116 -52.81050      159.9404 76.05439       259.4246 -131.8247      203.1404 72.68980 31.85028 53.79186 25.27178 18.89795       40.65837 
1 1 1 22  7  39 f 43.49292 20.95070 -190.2601      158.4857 -262.7202      252.9348 -143.4224      203.3559 54.49353 26.30392 53.02287 25.02574 1.470665       36.30680 
1 1 1 22  7  40 o 57.90360 25.36912 20.55301       164.5532 336.5847       244.5512 -240.9215      222.4433 92.89801 34.16436 51.11803 24.67282 41.77998       42.14204 
1 1 1 22  7  41 o 64.50754 27.60031 71.35634       185.6800 134.2866       278.1353 20.76076       249.3921 76.65741 33.29321 67.20610 30.22504 9.451309       44.96656 
1 1 1 22  8  0  o 230.0768 14.03568 1569.896       188.4888 1475.703       259.0927 1675.794       274.7199 221.7088 20.14582 236.4088 20.00169 -14.70006      28.38876 
1 1 1 22  8  1  f 175.7561 18.77647 928.3165       190.5473 971.6524       270.8067 885.8229       268.1619 177.7268 26.81464 169.1852 28.00504 8.541580       38.77250 
1 1 1 22  8  2  o 452.5903 25.36412 6177.334       670.5552 0.000000       0.000000 6177.334       670.5552 ?        ?        452.5903 25.36412 0.000000       25.36412 
1 1 1 22  8  3  o 504.0135 15.60705 7528.868       460.7759 7283.799       583.9420 7933.236       750.0919 493.9708 20.19924 513.1787 24.99792 -19.20792      32.13885 
1 1 1 22  8  4  o 231.0548 19.94873 1602.046       267.6767 1545.477       312.2881 1758.703       519.6871 225.7768 23.94928 235.1446 39.05332 -9.367844      45.81189 
1 1 1 22  8  5  o 113.2653 35.06399 397.3551       256.7222 422.7209       296.1263 320.6141       515.0704 117.3816 37.83238 122.0018 48.37274 -4.620201      61.41019 
1 1 1 22  8  6  o 74.27608 33.42735 -124.4217      305.6216 -124.4217      305.6216 0.000000       0.000000 74.27608 33.42735 ?        ?        0.000000       33.42735 
1 1 1 22  8  7  o 94.24367 37.28027 172.2896       305.2712 172.2896       305.2712 0.000000       0.000000 94.24367 37.28027 ?        ?        0.000000       37.28027 
1 1 1 22  8  8  o 597.9695 23.53935 10751.30       823.9006 10751.30       823.9006 0.000000       0.000000 597.9695 23.53935 ?        ?        0.000000       23.53935 
1 1 1 22  8  9  o 317.4431 24.68763 3050.531       456.0058 3050.531       456.0058 0.000000       0.000000 317.4431 24.68763 ?        ?        0.000000       24.68763 
1 1 1 22  8  10 o 261.9062 26.60060 2093.521       402.9278 2093.521       402.9278 0.000000       0.000000 261.9062 26.60060 ?        ?        0.000000       26.60060 
1 1 1 22  8  11 o 469.4798 14.30668 6527.811       393.4587 6527.811       393.4587 0.000000       0.000000 469.4798 14.30668 ?        ?        0.000000       14.30668 
1 1 1 22  8  12 o 51.72381 25.57207 -622.1210      285.0858 -622.1210      285.0858 0.000000       0.000000 51.72381 25.57207 ?        ?        0.000000       25.57207 
1 1 1 22  8  13 o 188.1317 45.28645 1170.730       493.6223 1170.730       493.6223 0.000000       0.000000 188.1317 45.28645 ?        ?        0.000000       45.28645 
1 1 1 22  8  14 o 407.5414 21.53693 4981.071       512.9340 4981.071       512.9340 0.000000       0.000000 407.5414 21.53693 ?        ?        0.000000       21.53693 
1 1 1 22  8  15 o 304.6279 21.10381 2785.628       374.7038 2785.628       374.7038 0.000000       0.000000 304.6279 21.10381 ?        ?        0.000000       21.10381 
1 1 1 22  8  16 o 699.0478 20.92527 14612.36       856.9182 14612.36       856.9182 0.000000       0.000000 699.0478 20.92527 ?        ?        0.000000       20.92527 
1 1 1 22  8  17 o 171.3392 35.41129 937.3785       344.0656 937.3785       344.0656 0.000000       0.000000 171.3392 35.41129 ?        ?        0.000000       35.41129 
1 1 1 22  8  18 o 98.61403 40.76657 130.0813       383.6656 130.0813       383.6656 0.000000       0.000000 98.61403 40.76657 ?        ?        0.000000       40.76657 
1 1 1 22  8  19 o 192.6484 22.80356 1130.384       252.6535 1286.045       361.8234 982.2612       352.9536 202.4925 31.49063 174.9064 35.61971 27.58609       47.54391 
1 1 1 22  8  20 o 363.4919 13.09752 3914.118       278.7557 4140.873       406.7866 3713.369       382.7506 371.9494 18.70807 352.2220 18.59474 19.72736       26.37719 
1 1 1 22  8  21 o 98.09531 33.00776 287.2281       224.5427 375.3604       334.9881 215.3227       302.5816 113.1016 40.20147 96.64955 37.44089 16.45203       54.93613 
1 1 1 22  8  22 o 241.0434 16.90838 1741.971       237.5113 2123.963       362.4312 1454.442       314.4411 263.6327 23.69344 217.2211 25.14628 46.41167       34.55017 
1 1 1 22  8  23 o 197.9917 20.42639 1192.487       233.7852 1423.747       341.6588 988.8691       320.5905 213.3845 27.97406 175.4102 32.35516 37.97432       42.77154 
1 1 1 22  8  24 o 234.9951 16.76758 1658.866       229.5710 1856.911       353.8576 1514.925       301.6751 245.2910 24.94443 221.9597 23.53284 23.33130       34.29313 
1 1 1 22  8  25 o 243.5981 15.93272 1780.010       226.3728 1795.312       339.9107 1767.815       303.4602 241.1048 24.37288 240.4615 21.75324 0.6433868      32.66865 
1 1 1 22  8  26 o 250.6771 15.97697 1888.500       233.6649 1626.282       355.5072 2087.939       310.0429 227.3630 27.20020 261.6996 20.36089 -34.33665      33.97670 
1 1 1 22  8  27 o 201.3793 18.08998 1233.882       211.3761 1240.149       316.7541 1228.851       283.8131 197.0089 28.21975 197.7952 25.02542 -0.7862854     37.71771 
1 1 1 22  8  28 o 188.8419 18.30139 1092.626       200.1523 978.4356       293.4951 1191.903       273.6606 172.5655 30.09357 194.1097 24.58985 -21.54422      38.86237 
1 1 1 22  8  29 o 166.4859 19.14075 859.5435       183.4942 966.9041       284.9135 783.4506       239.8629 170.8043 29.50901 154.5945 27.46171 16.20982       40.31038 
1 1 1 22  8  30 o 58.31254 25.78526 -22.79816      173.6759 217.3082       255.6206 -228.6740      236.6991 88.34372 34.36032 56.16883 26.65482 32.17489       43.48691 
1 1 1 22  8  31 o 85.78293 28.70640 239.8842       169.8540 248.8901       247.2099 231.8307       233.7725 90.19537 34.11297 87.76823 33.17786 2.427139       47.58640 
1 1 1 22  8  32 o 96.44829 27.11733 315.7048       159.7522 7.319513       250.3472 527.5378       207.4879 70.32114 31.03275 123.7747 29.07990 -53.45353      42.52848 
1 1 1 22  8  33 o 101.6747 26.94157 354.7389       163.2051 184.9997       268.2687 454.4727       205.6365 84.39333 34.39864 113.3385 30.33753 -28.94518      45.86536 
1 1 1 22  8  34 o 156.9702 17.84942 775.6318       161.4055 989.1371       248.0461 618.8407       212.5636 171.9584 25.35563 133.5701 28.03014 38.38829       37.79678 
1 1 1 22  8  35 o 49.95185 23.24118 -105.1158      165.0602 -41.65680      270.6653 -142.6891      208.2696 68.08624 30.96733 54.71148 25.66738 13.37476       40.22176 
1 1 1 22  8  36 o 81.12180 28.23231 223.3134       164.5908 245.5536       247.4670 205.6708       220.4086 86.35609 33.74465 81.33752 31.82806 5.018570       46.38671 
1 1 1 22  8  37 o 75.26263 28.53783 177.2077       173.2694 10.54520       265.9837 300.0704       228.3737 69.55873 31.25440 90.70677 33.07014 -21.14804      45.50243 
1 1 1 22  8  38 o 88.76723 28.71952 285.3573       170.5457 149.8858       258.0967 390.3534       227.2191 77.72197 32.86990 100.3859 33.19104 -22.66397      46.71270 
1 1 1 22  8  39 o 87.31722 29.23010 278.9096       176.1060 235.9181       278.7179 307.4783       227.2054 84.77034 34.86489 90.30621 32.97598 -5.535873      47.98933 
1 1 1 22  8  40 o 83.34731 29.13822 251.2133       175.4337 510.3634       276.5824 76.76628       226.9240 109.8381 36.62892 69.06867 30.03413 40.76941       47.36799 
1 1 1 22  8  41 o 77.73952 29.15074 208.0434       179.6640 161.0309       249.4698 258.7017       258.9624 76.65212 32.36157 85.00318 34.10035 -8.351059      47.01175 
1 1 1 22  9  0  o 167.1681 17.53735 838.4846       169.3797 807.3843       228.8617 876.1511       251.8653 162.1754 24.85323 168.6472 26.32427 -6.471817      36.20291 
1 1 1 22  9  1  o 364.1793 25.51180 4010.803       541.4409 0.000000       0.000000 4010.803       541.4409 ?        ?        364.1793 25.51180 0.000000       25.51180 
1 1 1 22  9  2  o 311.1712 13.09527 2864.428       238.4474 2977.669       336.1462 2749.734       338.2951 315.9968 18.21543 303.3646 19.11142 12.63226       26.40167 
1 1 1 22  9  3  o 187.0205 21.54085 1058.418       231.9561 1109.673       266.3456 897.4904       471.9460 190.7554 24.36305 164.9589 46.68890 25.79655       52.66319 
1 1 1 22  9  4  o 260.0468 17.73437 2018.289       268.8506 2121.353       316.1484 1749.054       510.9805 265.8870 20.43073 234.5015 38.48829 31.38545       43.57480 
1 1 1 22  9  5  o 134.6477 36.11668 580.6214       291.0706 580.6214       291.0706 0.000000       0.000000 134.6477 36.11668 ?        ?        0.000000       36.11668 
1 1 1 22  9  6  o 177.5711 30.12507 984.0361       302.5255 984.0361       302.5255 0.000000       0.000000 177.5711 30.12507 ?        ?        0.000000       30.12507 
1 1 1 22  9  7  o 91.62579 37.04988 136.0246       308.3403 136.0246       308.3403 0.000000       0.000000 91.62579 37.04988 ?        ?        0.000000       37.04988 
1 1 1 22  9  8  o 98.26421 39.06030 186.0319       336.6581 186.0319       336.6581 0.000000       0.000000 98.26421 39.06030 ?        ?        0.000000       39.06030 
1 1 1 22  9  9  o 547.2430 22.68044 8997.075       726.3398 8997.075       726.3398 0.000000       0.000000 547.2430 22.68044 ?        ?        0.000000       22.68044 
1 1 1 22  9  10 o 329.9708 23.20208 3284.134       446.1446 3284.134       446.1446 0.000000       0.000000 329.9708 23.20208 ?        ?        0.000000       23.20208 
1 1 1 22  9  11 o 413.5670 15.68689 5077.415       379.7915 5077.415       379.7915 0.000000       0.000000 413.5670 15.68689 ?        ?        0.000000       15.68689 
1 1 1 22  9  12 o 452.9312 15.42663 6085.568       409.1848 6085.568       409.1848 0.000000       0.000000 452.9312 15.42663 ?        ?        0.000000       15.42663 
1 1 1 22  9  13 o 149.0491 47.77874 717.2100       472.7467 717.2100       472.7467 0.000000       0.000000 149.0491 47.77874 ?        ?        0.000000       47.77874 
1 1 1 22  9  14 o 211.9358 43.41516 1465.718       521.4669 1465.718       521.4669 0.000000       0.000000 211.9358 43.41516 ?        ?        0.000000       43.41516 
1 1 1 22  9  15 o 507.0851 20.62536 7689.942       612.1048 7689.942       612.1048 0.000000       0.000000 507.0851 20.62536 ?        ?        0.000000       20.62536 
1 1 1 22  9  16 o 215.3495 21.55685 1400.487       268.6014 1500.519       318.3301 1153.223       500.4822 221.9468 24.88355 186.4173 46.05076 35.52957       52.34371 
1 1 1 22  9  17 o 62.28257 29.22242 -257.4697      270.0820 -38.80591      322.8383 -767.3837      492.9980 81.29179 35.57718 74.15032 36.01266 7.141464       50.62260 
1 1 1 22  9  18 f 198.5630 22.11295 1196.557       253.1468 1079.590       307.2156 1443.951       446.7945 186.2119 29.08127 212.4771 37.20977 -26.26527      47.22592 
1 1 1 22  9  19 o 163.0670 25.52661 822.7487       236.1215 544.7661       299.8661 1276.367       383.0573 129.9296 37.36123 200.6233 33.75315 -70.69366      50.35014 
1 1 1 22  9  20 o 276.9721 24.05384 2335.844       386.8544 2335.844       386.8544 0.000000       0.000000 276.9721 24.05384 ?        ?        0.000000       24.05384 
1 1 1 22  9  21 o 176.8954 23.15046 961.2459       234.4165 1133.522       347.0535 816.7043       317.8925 188.5330 32.56472 158.4416 35.13225 30.09142       47.90340 
1 1 1 22  9  22 o 68.52877 29.82428 -16.59352      224.1566 -229.6566      340.4439 146.4628       297.8243 72.79356 33.69921 90.11783 36.42249 -17.32427      49.62091 
1 1 1 22  9  23 o 98.45751 32.19107 298.8519       213.9655 511.3013       318.8053 124.7208       288.6264 124.9784 39.13520 87.24533 35.63498 37.73309       52.92840 
1 1 1 22  9  24 o 209.2066 18.49255 1324.146       224.5598 1229.540       355.8508 1386.751       289.4776 195.6923 32.11918 212.1118 23.67328 -16.41945      39.90070 
1 1 1 22  9  25 o 106.5173 32.70649 365.2211       223.9099 327.6150       342.8134 393.2005       295.6978 107.5405 40.27901 111.4957 37.87687 -3.955162      55.29065 
1 1 1 22  9  26 o 96.35616 32.58751 287.0747       218.8604 114.4253       330.1471 422.4310       292.3237 89.55523 37.48248 113.7809 37.64807 -24.22565      53.12545 
1 1 1 22  9  27 o 43.58656 21.45702 -382.8474      193.4632 -501.3553      289.3501 -287.0386      260.1673 54.71778 26.79487 58.10801 27.68018 -3.390232      38.52477 
1 1 1 22  9  28 o 82.22939 29.46682 198.4511       180.3390 365.2833       274.9373 72.47143       238.9153 105.3479 36.49871 75.51585 31.76379 29.83203       48.38485 
1 1 1 22  9  29 o 161.5115 18.89974 809.9608       175.6420 1189.310       276.3333 552.8087       227.5142 192.3885 25.08787 127.3633 30.79979 65.02527       39.72440 
1 1 1 22  9  30 o 47.51272 22.54011 -174.9760      169.0055 -177.9425      245.9891 -172.3237      232.5928 59.79929 28.00315 58.13702 27.22642 1.662266       39.05706 
1 1 1 22  9  31 o 192.4088 15.99514 1135.933       178.8635 885.8041       264.3165 1347.233       242.9363 161.9375 28.89072 206.9731 20.27348 -45.03561      35.29430 
1 1 1 22  9  32 o 113.4877 24.43146 428.1158       157.7940 282.0612       250.7276 523.9033       203.0480 92.83965 34.51143 123.4044 28.61312 -30.56476      44.83022 
1 1 1 22  9  33 o 117.9614 24.29497 464.9891       162.4776 359.9284       262.2628 530.4282       206.9833 100.0487 35.57003 123.1263 29.12313 -23.07761      45.97155 
1 1 1 22  9  34 o 51.59085 23.65909 -74.41935      162.2771 -76.28680      237.7736 -72.79110      222.0242 62.56768 28.67269 60.71867 27.78083 1.849014       39.92365 
1 1 1 22  9  35 o 46.03704 21.96841 -174.2039      165.3626 -186.4206      270.1351 -166.8824      209.1229 60.79763 28.73994 53.52399 25.29718 7.273640       38.28748 
1 1 1 22  9  36 o 107.9946 31.84922 437.3304       215.4719 0.000000       0.000000 437.3304       215.4719 ?        ?        107.9946 31.84922 0.000000       31.84922 
1 1 1 22  9  37 o 71.37740 27.63437 149.8347       164.7618 -45.43086      269.6770 266.1324       208.1214 66.61736 30.53122 86.50433 31.56489 -19.88696      43.91467 
1 1 1 22  9  38 o 100.3608 27.50243 364.4422       166.6506 401.0695       264.5160 340.3352       214.5959 100.1877 35.71162 94.69483 32.26556 5.492882       48.12885 
1 1 1 22  9  39 f 133.8063 24.48782 619.6272       185.0869 632.7525       277.1363 609.0593       248.6754 123.8040 36.01308 124.2670 33.40531 -0.4629440     49.12084 
1 1 1 22  9  40 o 60.01991 26.76536 4.497237       191.1346 -146.9334      280.2516 136.1880       261.3478 61.97264 29.28871 75.95840 32.62673 -13.98576      43.84441 
1 1 1 22  10 0  o 272.4594 23.12034 2241.359       365.9569 0.000000       0.000000 2241.359       365.9569 ?        ?        272.4594 23.12034 0.000000       23.12034 
1 1 1 22  10 1  o 384.4258 14.70087 4379.911       330.8300 4566.317       408.8165 4026.219       563.1337 391.5590 17.84943 364.2036 26.54662 27.35541       31.98945 
1 1 1 22  10 2  o 213.4777 15.66995 1357.472       194.8202 1476.525       263.6589 1214.301       289.1349 221.5003 20.52994 199.3142 25.30458 22.18610       32.58527 
1 1 1 22  10 3  o 581.0040 16.30902 10019.92       555.1723 9996.127       734.5724 10051.62       847.8113 577.6202 21.72282 577.1747 25.10623 0.4454956      33.19945 
1 1 1 22  10 4  o 458.2875 15.29868 6228.159       410.6136 6233.439       516.0466 6219.046       677.9125 456.9839 19.29817 453.4514 25.59524 3.532532       32.05520 
1 1 1 22  10 5  o 252.7525 21.97429 1926.210       322.4982 1926.210       322.4982 0.000000       0.000000 252.7525 21.97429 ?        ?        0.000000       21.97429 
1 1 1 22  10 6  o 146.2320 34.78999 684.8262       294.0094 684.8262       294.0094 0.000000       0.000000 146.2320 34.78999 ?        ?        0.000000       34.78999 
1 1 1 22  10 7  o 93.96567 37.56040 160.6753       313.0186 160.6753       313.0186 0.000000       0.000000 93.96567 37.56040 ?        ?        0.000000       37.56040 
1 1 1 22  10 8  o 81.78040 34.95406 19.16872       297.2404 19.16872       297.2404 0.000000       0.000000 81.78040 34.95406 ?        ?        0.000000       34.95406 
1 1 1 22  10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  10 10 o 361.6484 15.89620 3885.812       336.3319 3885.812       336.3319 0.000000       0.000000 361.6484 15.89620 ?        ?        0.000000       15.89620 
1 1 1 22  10 11 o 261.9543 28.36474 2105.273       428.8235 2105.273       428.8235 0.000000       0.000000 261.9543 28.36474 ?        ?        0.000000       28.36474 
1 1 1 22  10 12 o 243.5394 22.66048 1792.637       319.9462 1792.637       319.9462 0.000000       0.000000 243.5394 22.66048 ?        ?        0.000000       22.66048 
1 1 1 22  10 13 o 186.3442 42.58082 1135.902       455.1483 1135.902       455.1483 0.000000       0.000000 186.3442 42.58082 ?        ?        0.000000       42.58082 
1 1 1 22  10 14 o 127.8575 47.71061 443.3472       480.0751 443.3472       480.0751 0.000000       0.000000 127.8575 47.71061 ?        ?        0.000000       47.71061 
1 1 1 22  10 15 o 403.5559 20.71445 4877.156       488.6208 4877.156       488.6208 0.000000       0.000000 403.5559 20.71445 ?        ?        0.000000       20.71445 
1 1 1 22  10 16 o 143.1252 31.97713 650.6881       261.6411 688.2411       324.1866 580.5278       443.1169 145.9420 37.63316 136.7278 46.36796 9.214157       59.71803 
1 1 1 22  10 17 o 500.7208 12.23286 7403.538       359.2311 7262.534       443.6463 7672.017       612.1755 494.7295 15.30881 506.0733 20.66935 -11.34378      25.72123 
1 1 1 22  10 18 o 224.7125 19.23903 1518.381       251.1112 1521.596       306.1112 1511.766       439.0858 223.5377 23.71068 218.0011 35.56844 5.536621       42.74706 
1 1 1 22  10 19 o 98.25433 33.07013 286.3287       225.3916 172.6171       291.0921 456.5662       356.1685 92.24879 36.43143 121.9411 41.56736 -29.69227      55.27291 
1 1 1 22  10 20 o 184.4137 21.70172 1036.941       230.2253 665.6705       299.2903 1575.038       360.3108 142.8518 35.79911 225.3329 27.85743 -82.48111      45.36092 
1 1 1 22  10 21 o 287.7346 15.39765 2470.220       258.8884 2816.697       389.2659 2195.418       346.6717 304.6898 21.93073 268.7076 22.19603 35.98224       31.20290 
1 1 1 22  10 22 o 256.6566 24.67114 2025.133       366.7886 2025.133       366.7886 0.000000       0.000000 256.6566 24.67114 ?        ?        0.000000       24.67114 
1 1 1 22  10 23 o 359.2636 13.23419 3835.930       278.3673 3653.402       404.1537 4000.677       383.9636 347.6901 19.90316 364.8633 17.99915 -17.17313      26.83477 
1 1 1 22  10 24 o 253.2856 16.72008 1927.761       246.9809 1995.052       362.3065 1869.345       337.5713 254.1974 24.61018 246.4694 23.64310 7.728073       34.12708 
1 1 1 22  10 25 o 290.8971 14.57147 2530.117       247.8039 2414.052       360.7005 2633.865       341.0222 280.6543 22.09215 294.4181 19.86634 -13.76379      29.71085 
1 1 1 22  10 26 o 51.35775 24.63746 -277.5122      214.0315 -440.2829      336.5866 -167.0154      277.3216 63.19955 30.46566 66.30966 30.59738 -3.110107      43.17820 
1 1 1 22  10 27 o 51.79368 24.47672 -195.9831      195.6786 -148.2397      306.1442 -228.9609      254.4371 70.53019 32.40049 59.62805 28.09724 10.90214       42.88644 
1 1 1 22  10 28 o 141.1635 23.20849 635.2180       185.4695 867.6852       302.6062 495.3473       234.7255 159.4017 33.43831 120.3047 32.50462 39.09700       46.63337 
1 1 1 22  10 29 o 99.74968 27.66654 333.1416       167.5067 217.2003       255.9019 420.0605       221.5703 88.52207 34.39336 110.2688 32.23663 -21.74672      47.13919 
1 1 1 22  10 30 o 149.9369 20.09894 709.0058       172.2914 742.8781       250.2244 678.4702       237.5806 147.6829 29.91665 141.1446 29.64564 6.538300       42.11734 
1 1 1 22  10 31 o 62.88235 26.25562 55.25719       161.4114 166.2697       252.2704 -21.69236      210.0309 82.59276 33.47066 63.36462 28.16929 19.22813       43.74693 
1 1 1 22  10 32 o 73.95679 27.82381 156.2285       163.9696 274.5700       256.1319 74.05046       213.4387 91.98438 34.73798 70.65450 29.88658 21.32988       45.82504 
1 1 1 22  10 33 o 56.09163 25.07011 -28.20799      168.6880 423.7399       254.3483 -383.1026      225.3899 106.6142 35.11080 47.56087 23.36318 59.05336       42.17353 
1 1 1 22  10 34 o 87.28306 27.61026 262.9022       158.2976 405.7875       247.6697 164.2191       205.8261 104.0988 34.66027 77.12785 30.57923 26.97098       46.22146 
1 1 1 22  10 35 o 77.43114 28.01894 193.8671       163.5197 561.9983       280.9561 5.288848       201.0865 119.2254 36.64189 62.65187 27.72282 56.57349       45.94761 
1 1 1 22  10 36 o 126.3308 23.95365 541.8129       170.9801 687.2250       270.8465 445.4698       220.4616 133.3429 34.40523 108.4346 32.27619 24.90834       47.17491 
1 1 1 22  10 37 o 74.02676 30.93972 132.2508       224.4749 0.000000       0.000000 132.2508       224.4749 ?        ?        74.02676 30.93972 0.000000       30.93972 
1 1 1 22  10 38 o 102.8580 28.98405 391.0018       182.2917 638.0722       283.5193 216.8829       238.0100 124.5547 36.48038 81.86647 32.74283 42.68826       49.01949 
1 1 1 22  10 39 o 82.90623 29.77215 246.8788       184.2023 535.3707       272.8545 5.297253       249.6872 112.9719 36.30654 66.56975 30.06348 46.40212       47.13786 
1 1 1 22  10 40 o 83.81410 30.70441 255.1677       197.2218 406.3304       286.7339 119.4406       271.7003 98.69514 36.86354 75.37905 32.81999 23.31609       49.35658 
1 1 1 22  11 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  11 1  o 274.8097 13.23790 2236.727       212.7269 2531.540       294.4194 1914.711       307.7025 291.4065 17.30521 252.2676 20.98782 39.13889       27.20218 
1 1 1 22  11 2  o 362.2238 12.31225 3877.600       261.1760 4024.123       382.7239 3749.896       357.3023 367.4668 17.81199 354.8839 17.21857 12.58292       24.77390 
1 1 1 22  11 3  o 198.8231 17.37958 1183.224       200.6193 1312.772       263.5490 1004.723       309.3632 208.3153 21.89907 179.2541 30.51977 29.06123       37.56362 
1 1 1 22  11 4  o 507.2058 20.12979 7690.842       597.6000 7690.842       597.6000 0.000000       0.000000 507.2058 20.12979 ?        ?        0.000000       20.12979 
1 1 1 22  11 5  o 172.9509 28.65104 930.5917       280.4463 930.5917       280.4463 0.000000       0.000000 172.9509 28.65104 ?        ?        0.000000       28.65104 
1 1 1 22  11 6  o 556.9258 21.76886 9303.009       709.6533 9303.009       709.6533 0.000000       0.000000 556.9258 21.76886 ?        ?        0.000000       21.76886 
1 1 1 22  11 7  o 134.4206 38.91100 580.7922       324.2494 580.7922       324.2494 0.000000       0.000000 134.4206 38.91100 ?        ?        0.000000       38.91100 
1 1 1 22  11 8  o 261.7204 25.31371 2084.002       383.7030 2084.002       383.7030 0.000000       0.000000 261.7204 25.31371 ?        ?        0.000000       25.31371 
1 1 1 22  11 9  o 394.1192 20.86207 4656.145       480.4917 4656.145       480.4917 0.000000       0.000000 394.1192 20.86207 ?        ?        0.000000       20.86207 
1 1 1 22  11 10 o 196.7503 38.71989 1245.448       430.8693 1245.448       430.8693 0.000000       0.000000 196.7503 38.71989 ?        ?        0.000000       38.71989 
1 1 1 22  11 11 f 220.4305 22.81164 1471.915       290.6459 1471.915       290.6459 0.000000       0.000000 220.4305 22.81164 ?        ?        0.000000       22.81164 
1 1 1 22  11 12 f 291.6139 18.39377 2540.069       312.9760 2540.069       312.9760 0.000000       0.000000 291.6139 18.39377 ?        ?        0.000000       18.39377 
1 1 1 22  11 13 o 322.6925 26.39954 3164.729       495.2522 3164.729       495.2522 0.000000       0.000000 322.6925 26.39954 ?        ?        0.000000       26.39954 
1 1 1 22  11 14 o 400.2265 24.54162 4837.271       573.2793 4837.271       573.2793 0.000000       0.000000 400.2265 24.54162 ?        ?        0.000000       24.54162 
1 1 1 22  11 15 o 232.0051 25.22335 1640.368       337.6852 1640.368       337.6852 0.000000       0.000000 232.0051 25.22335 ?        ?        0.000000       25.22335 
1 1 1 22  11 16 o 354.3911 14.17840 3722.904       294.0919 4209.754       368.2590 2865.745       488.6371 376.1052 16.73720 306.1974 27.50308 69.90787       32.19554 
1 1 1 22  11 17 o 83.84465 33.60511 121.5848       251.2577 -2.766192      301.6434 403.3794       454.0833 80.66795 34.85384 122.7397 46.27505 -42.07178      57.93246 
1 1 1 22  11 18 o 167.3832 25.15693 865.2551       239.3242 763.2614       293.5077 1067.599       413.4069 154.2837 33.40703 180.3862 40.11449 -26.10251      52.20346 
1 1 1 22  11 19 o 442.4984 11.51749 5787.730       298.6418 5837.256       388.0771 5715.811       467.6537 443.1865 14.95214 437.1109 18.28277 6.075562       23.61835 
1 1 1 22  11 20 o 96.17413 33.03606 272.1009       225.0692 118.9783       298.9445 472.4692       341.9682 88.29459 36.18840 122.2094 40.72849 -33.91476      54.48312 
1 1 1 22  11 21 o 153.7293 25.32400 738.0050       220.3745 665.5978       301.6317 820.9074       322.7524 142.1677 36.11216 158.2489 35.63594 -16.08121      50.73469 
1 1 1 22  11 22 o 55.01902 26.09056 -249.8114      225.9974 271.9308       342.3175 -652.9169      300.8919 103.6495 39.91117 52.70452 26.09554 50.94496       47.68521 
1 1 1 22  11 23 o 52.75268 25.25066 -284.1995      222.0862 -61.26968      331.1138 -466.5018      299.4260 79.62363 35.38484 57.84318 28.08651 21.78045       45.17675 
1 1 1 22  11 24 o 256.2532 25.52661 2039.098       378.5330 2039.098       378.5330 0.000000       0.000000 256.2532 25.52661 ?        ?        0.000000       25.52661 
1 1 1 22  11 25 o 265.2517 16.19780 2116.690       250.7779 1956.462       366.7333 2257.418       343.6938 250.4738 25.31232 271.2433 21.78853 -20.76950      33.39841 
1 1 1 22  11 26 o 45.57470 22.28556 -350.3997      198.0189 -495.3382      315.1074 -255.8069      254.5634 58.45552 28.48071 58.65080 27.77681 -0.1952820     39.78319 
1 1 1 22  11 27 o 52.94018 24.83249 -168.7388      194.8103 -37.45718      312.9311 -251.8116      248.9294 76.82483 34.25417 57.59086 27.33114 19.23397       43.82167 
1 1 1 22  11 28 o 130.5755 25.82508 557.6348       190.7586 665.5154       297.8421 482.6049       248.3887 136.8023 36.46284 117.7459 34.04811 19.05643       49.88800 
1 1 1 22  11 29 o 110.7974 28.11047 414.7006       182.9226 715.9118       290.7807 217.4370       235.3171 141.7826 35.14667 86.91098 33.18518 54.87158       48.33781 
1 1 1 22  11 30 f 74.68096 28.17836 154.6293       168.4485 355.5872       259.2683 7.837292       221.5889 101.4233 35.42507 67.13392 29.42548 34.28934       46.05208 
1 1 1 22  11 31 o 55.46955 24.54897 -19.68706      157.7456 -424.0609      286.1093 156.9224       189.0808 55.19420 26.94587 76.37125 29.59385 -21.17704      40.02344 
1 1 1 22  11 32 o 150.9296 19.16933 721.2753       165.8580 541.0987       257.7276 848.6427       216.6909 120.9023 34.59632 160.9661 23.65927 -40.06373      41.91261 
1 1 1 22  11 33 o 64.13313 26.17401 82.95553       155.5607 80.93818       261.2469 84.06375       193.6306 75.13604 32.44982 68.62249 28.71215 6.513550       43.32873 
1 1 1 22  11 34 o 86.22633 28.31927 257.0184       165.5103 -6.987445      257.5463 442.7591       216.0240 68.64410 30.80620 109.6413 31.76684 -40.99719      44.25104 
1 1 1 22  11 35 o 128.6594 23.83615 558.4474       173.2356 346.1447       274.1653 699.5432       223.5073 96.38849 36.03756 141.0314 28.01034 -44.64294      45.64302 
1 1 1 22  11 36 o 63.23983 26.90762 59.37602       174.7380 479.5716       276.4810 -220.0934      225.4793 108.9668 36.62656 52.98140 25.38224 55.98544       44.56190 
1 1 1 22  11 37 o 48.87980 23.13162 -144.9923      175.9002 -53.98587      280.6741 -203.8550      225.7285 67.03730 30.87865 53.47519 25.55864 13.56211       40.08410 
1 1 1 22  11 38 o 83.09562 30.04924 245.7148       188.0374 190.0506       303.7906 280.2862       239.4116 82.56555 35.31456 87.60410 33.46706 -5.038551      48.65348 
1 1 1 22  11 39 o 139.1457 24.99547 674.9940       196.4805 611.8180       298.6836 723.1863       260.8701 118.8509 37.96492 136.0725 33.02692 -17.22163      50.32010 
1 1 1 22  11 40 o 90.43634 30.19731 310.0717       187.9703 601.9069       288.0714 93.68433       248.0546 118.1086 37.23143 71.70995 31.28867 46.39860       48.63291 
1 1 1 22  12 0  o 192.6820 18.65251 1115.606       208.1469 1210.940       228.7624 657.0403       501.7200 200.5457 19.70420 144.4998 49.33335 56.04591       53.12283 
1 1 1 22  12 1  o 371.2034 11.79447 4070.038       256.4420 3933.407       365.1376 4203.028       360.2396 363.4387 17.17932 375.9733 16.37672 -12.53464      23.73449 
1 1 1 22  12 2  o 63.74820 26.71252 27.11779       167.9787 -137.9565      208.9776 328.5053       282.3727 58.47934 26.82935 106.6014 36.98596 -48.12209      45.69218 
1 1 1 22  12 3  o 484.4840 16.81632 6979.649       477.0920 0.000000       0.000000 6979.649       477.0920 ?        ?        484.4840 16.81632 0.000000       16.81632 
1 1 1 22  12 4  o 358.2179 18.66076 3832.432       390.6855 3832.432       390.6855 0.000000       0.000000 358.2179 18.66076 ?        ?        0.000000       18.66076 
1 1 1 22  12 5  o 205.5609 24.24735 1288.237       286.6995 1288.237       286.6995 0.000000       0.000000 205.5609 24.24735 ?        ?        0.000000       24.24735 
1 1 1 22  12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  12 7  o 318.3987 20.46505 3041.059       380.1269 3041.059       380.1269 0.000000       0.000000 318.3987 20.46505 ?        ?        0.000000       20.46505 
1 1 1 22  12 8  o 345.4046 20.11726 3573.699       405.7549 3573.699       405.7549 0.000000       0.000000 345.4046 20.11726 ?        ?        0.000000       20.11726 
1 1 1 22  12 9  o 269.8268 18.65302 2178.028       293.3619 2178.028       293.3619 0.000000       0.000000 269.8268 18.65302 ?        ?        0.000000       18.65302 
1 1 1 22  12 10 o 640.2180 24.14776 12346.23       905.0573 12346.23       905.0573 0.000000       0.000000 640.2180 24.14776 ?        ?        0.000000       24.14776 
1 1 1 22  12 11 o 391.9370 15.83228 4561.316       363.1747 4561.316       363.1747 0.000000       0.000000 391.9370 15.83228 ?        ?        0.000000       15.83228 
1 1 1 22  12 12 o 253.6748 30.72113 1989.296       447.7499 1989.296       447.7499 0.000000       0.000000 253.6748 30.72113 ?        ?        0.000000       30.72113 
1 1 1 22  12 13 f 570.1307 21.93617 9746.313       732.1073 9746.313       732.1073 0.000000       0.000000 570.1307 21.93617 ?        ?        0.000000       21.93617 
1 1 1 22  12 14 o 87.84763 39.58505 -157.7726      430.1319 -157.7726      430.1319 0.000000       0.000000 87.84763 39.58505 ?        ?        0.000000       39.58505 
1 1 1 22  12 15 o 114.2014 43.68183 322.1765       408.1907 322.1765       408.1907 0.000000       0.000000 114.2014 43.68183 ?        ?        0.000000       43.68183 
1 1 1 22  12 16 o 291.3708 15.65844 2526.056       266.5917 2487.790       324.4782 2605.543       467.6536 288.0658 19.31796 291.5587 27.68102 -3.492981      33.75533 
1 1 1 22  12 17 o 331.6466 13.99640 3263.365       271.6220 2947.724       319.9097 4078.652       514.1447 314.1512 17.43188 366.8309 24.03072 -52.67972      29.68748 
1 1 1 22  12 18 o 186.3601 21.27555 1055.851       228.3717 1057.787       275.2155 1051.571       409.2155 184.9283 26.10066 178.7250 40.03643 6.203247       47.79288 
1 1 1 22  12 19 o 223.7623 17.68156 1504.140       230.1528 1504.973       296.6236 1502.881       364.8324 221.9754 23.12368 219.3548 29.07460 2.620605       37.14885 
1 1 1 22  12 20 o 80.79709 31.84701 131.6112       222.0537 101.4416       293.4488 172.0303       339.6573 86.22074 35.64894 96.07170 38.87211 -9.850960      52.74360 
1 1 1 22  12 21 o 131.9942 28.70664 557.4725       215.8798 602.3780       282.5657 494.5114       334.5843 135.3100 35.25764 123.5731 40.24497 11.73689       53.50476 
1 1 1 22  12 22 o 55.89720 26.00782 -166.7697      206.7110 80.87914       278.2877 -471.5952      308.7461 82.61625 34.48350 59.01932 28.62551 23.59693       44.81665 
1 1 1 22  12 23 o 166.7222 22.20055 858.0002       211.6837 1176.854       299.8765 541.3082       298.8580 193.5167 27.16982 127.5585 37.47987 65.95815       46.29190 
1 1 1 22  12 24 o 217.0821 19.14623 1433.234       241.2618 1178.892       363.6802 1633.145       322.4244 189.6321 33.94730 229.4077 24.33530 -39.77560      41.76872 
1 1 1 22  12 25 o 52.33874 25.00042 -259.9120      215.2856 -124.2742      337.2071 -353.2382      279.7101 76.10389 34.59478 58.52337 28.09855 17.58052       44.56823 
1 1 1 22  12 26 o 108.9925 40.08842 374.5008       336.7314 374.5008       336.7314 0.000000       0.000000 108.9925 40.08842 ?        ?        0.000000       40.08842 
1 1 1 22  12 27 o 193.9338 18.81162 1159.029       211.2746 838.6517       316.2464 1417.282       283.9335 155.3451 35.49096 212.0715 23.20732 -56.72641      42.40505 
1 1 1 22  12 28 o 88.09934 31.03776 244.2867       199.3098 220.0604       311.2388 261.1276       259.4972 92.48945 37.28610 92.92984 34.99385 -0.4403915     51.13534 
1 1 1 22  12 29 o 123.3592 26.78883 508.6571       188.2465 441.8915       284.6034 560.5850       250.9943 111.0681 37.15859 125.8213 33.44373 -14.75314      49.99244 
1 1 1 22  12 30 o 43.11958 20.95050 -255.7707      167.3050 -528.3039      278.2401 -101.4315      209.3863 51.18389 25.29744 58.17184 26.74973 -6.987949      36.81723 
1 1 1 22  12 31 o 53.06184 24.17771 -68.51595      165.9352 -106.5731      294.1413 -50.75058      200.9672 68.58733 31.59918 59.81194 26.99523 8.775391       41.56020 
1 1 1 22  12 32 o 51.49103 23.50603 -66.94192      157.7896 -364.1862      281.5077 69.22721       190.5341 56.00923 27.20460 67.19093 28.31991 -11.18171      39.26968 
1 1 1 22  12 33 o 144.7561 20.96181 678.8134       172.7841 901.0071       298.3866 566.7244       211.9311 156.6456 33.49413 126.6287 29.14237 30.01690       44.39746 
1 1 1 22  12 34 o 43.34087 20.92837 -210.4324      160.4831 -401.1787      269.1165 -105.1666      199.9199 52.67648 25.80481 55.39572 25.70700 -2.719234      36.42441 
1 1 1 22  12 35 o 137.1044 22.34017 624.6651       173.4544 350.2737       294.8687 769.8515       214.4897 96.52995 37.07498 150.1689 25.24936 -53.63890      44.85627 
1 1 1 22  12 36 o 53.15264 24.17398 -47.89304      164.9133 8.174978       284.9263 -76.13799      202.2299 70.92548 32.06474 56.82208 26.18683 14.10340       41.39925 
1 1 1 22  12 37 o 59.84204 26.42526 12.34460       181.8037 99.77926       287.6713 -45.80056      234.5911 76.15221 33.44820 62.45257 28.56739 13.69964       43.98724 
1 1 1 22  12 38 o 171.2154 20.04938 960.6721       197.5150 863.8222       308.4771 1027.967       257.1367 145.5818 36.26540 170.8905 26.51513 -25.30864      44.92473 
1 1 1 22  12 39 o 98.19395 31.01718 371.5992       199.8384 133.4697       294.6177 574.5216       271.9676 77.78128 34.01501 117.1212 36.06108 -39.33991      49.57240 
1 1 1 22  13 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  13 1  o 182.4392 17.39743 998.2655       183.8947 1047.141       228.9465 909.3998       308.7136 185.8631 21.39319 169.6096 32.21283 16.25345       38.66956 
1 1 1 22  13 2  o 330.3686 12.53818 3228.289       242.4905 3246.532       333.7845 3207.898       352.8784 330.0244 17.30573 327.6919 18.43588 2.332520       25.28576 
1 1 1 22  13 3  o 138.1992 25.40917 593.3011       198.3561 625.6965       227.3692 490.1077       405.8033 141.1578 28.44871 127.5915 44.33479 13.56631       52.67735 
1 1 1 22  13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  13 5  o 309.9496 19.44875 2876.642       351.7536 2876.642       351.7536 0.000000       0.000000 309.9496 19.44875 ?        ?        0.000000       19.44875 
1 1 1 22  13 6  o 376.0595 19.17142 4226.904       421.4305 4226.904       421.4305 0.000000       0.000000 376.0595 19.17142 ?        ?        0.000000       19.17142 
1 1 1 22  13 7  o 89.98047 34.72466 177.5968       259.5401 177.5968       259.5401 0.000000       0.000000 89.98047 34.72466 ?        ?        0.000000       34.72466 
1 1 1 22  13 8  o 476.0830 20.23746 6780.265       563.7642 6780.265       563.7642 0.000000       0.000000 476.0830 20.23746 ?        ?        0.000000       20.23746 
1 1 1 22  13 9  o 218.0339 21.23232 1434.515       268.0662 1434.515       268.0662 0.000000       0.000000 218.0339 21.23232 ?        ?        0.000000       21.23232 
1 1 1 22  13 10 o 294.3777 18.53226 2589.363       318.3276 2589.363       318.3276 0.000000       0.000000 294.3777 18.53226 ?        ?        0.000000       18.53226 
1 1 1 22  13 11 o 290.4879 19.42774 2526.050       329.0767 2526.050       329.0767 0.000000       0.000000 290.4879 19.42774 ?        ?        0.000000       19.42774 
1 1 1 22  13 12 o 531.3375 22.30102 8474.478       693.3923 8474.478       693.3923 0.000000       0.000000 531.3375 22.30102 ?        ?        0.000000       22.30102 
1 1 1 22  13 13 o 211.2745 34.66754 1409.155       414.6714 1409.155       414.6714 0.000000       0.000000 211.2745 34.66754 ?        ?        0.000000       34.66754 
1 1 1 22  13 14 o 149.3584 40.34016 727.5432       361.6080 727.5432       361.6080 0.000000       0.000000 149.3584 40.34016 ?        ?        0.000000       40.34016 
1 1 1 22  13 15 o 277.4835 18.80481 2306.383       304.2169 2306.383       304.2169 0.000000       0.000000 277.4835 18.80481 ?        ?        0.000000       18.80481 
1 1 1 22  13 16 o 487.7142 11.99789 7026.479       343.1790 6931.650       421.9286 7211.836       589.8943 483.2318 14.90571 490.2442 20.56253 -7.012451      25.39681 
1 1 1 22  13 17 o 160.4894 25.29107 798.0322       230.1764 837.9033       267.4307 684.0815       452.1062 163.2597 28.99273 144.3748 46.76431 18.88495       55.02253 
1 1 1 22  13 18 o 103.3197 33.35448 329.3517       230.1142 280.3737       272.5060 451.0726       429.5942 100.2509 36.18482 123.9457 45.33054 -23.69482      58.00172 
1 1 1 22  13 19 o 77.51820 31.27059 100.3566       219.0666 107.5493       282.2042 89.45016       347.5037 85.49299 35.11362 91.12050 38.31660 -5.627510      51.97238 
1 1 1 22  13 20 o 175.4943 22.14086 945.4689       222.8190 1092.550       294.0764 747.2125       341.4255 186.6419 27.70536 149.6529 38.63657 36.98897       47.54336 
1 1 1 22  13 21 o 78.44177 31.15600 119.3245       214.0273 174.3434       284.2917 47.34534       325.1712 90.74133 35.95058 85.57166 36.56658 5.169670       51.27922 
1 1 1 22  13 22 o 202.5685 17.25628 1237.682       203.0575 1332.391       272.9660 1120.335       303.8426 208.1788 22.72607 188.2756 28.39981 19.90329       36.37339 
1 1 1 22  13 23 o 232.7351 16.64279 1630.792       225.6642 1483.192       300.9259 1820.446       341.1133 218.9311 23.82060 242.5182 24.31045 -23.58716      34.03555 
1 1 1 22  13 24 o 159.0005 26.86951 805.1970       241.6400 900.8591       352.2862 720.1990       332.0703 162.8157 37.64542 144.9927 38.43478 17.82294       53.79972 
1 1 1 22  13 25 o 58.17762 26.93035 -147.1219      217.3394 210.8640       360.6306 -351.3041      272.3570 97.97822 39.90278 57.35271 27.58559 40.62550       48.50976 
1 1 1 22  13 26 f 94.12781 32.00168 282.1960       211.0840 170.5746       325.1031 363.5473       277.5425 91.25240 37.60543 105.2815 36.66007 -14.02914      52.51789 
1 1 1 22  13 27 o 88.34772 31.51586 241.3033       206.0506 8.175526       320.8259 404.9791       268.8218 79.43268 35.08869 108.4646 36.10992 -29.03190      50.35019 
1 1 1 22  13 28 o 77.93858 29.96766 161.6358       192.7995 -131.6914      297.0527 375.1414       253.4323 68.75797 31.70562 104.2227 35.06690 -35.46476      47.27509 
1 1 1 22  13 29 o 122.4132 27.18852 504.7961       190.1142 576.9910       300.9003 456.8277       245.2716 124.6142 37.84725 113.0618 34.13464 11.55238       50.96654 
1 1 1 22  13 30 o 60.60516 26.34498 10.47557       174.4787 4.346892       308.2397 13.36511       211.6505 76.24184 33.99519 65.96805 28.84007 10.27380       44.58051 
1 1 1 22  13 31 o 69.44686 28.07756 106.1870       177.0539 183.1188       304.8843 67.04060       217.4842 86.66106 36.12677 70.35309 29.97940 16.30798       46.94579 
1 1 1 22  13 32 o 197.9571 15.70915 1211.490       180.8843 1769.532       324.7370 960.4600       217.8015 231.7235 24.25409 171.8687 22.12030 59.85480       32.82634 
1 1 1 22  13 33 o 69.33720 27.30882 125.0568       163.1655 -153.4871      297.4778 244.9157       195.1384 65.54482 30.72612 85.18456 30.63663 -19.63975      43.39006 
1 1 1 22  13 34 o 88.64833 28.94714 277.6627       173.0413 490.7680       311.2133 182.2953       208.1905 109.9392 38.77972 78.42884 30.86032 31.51035       49.56033 
1 1 1 22  13 35 o 98.26126 27.66016 346.3834       166.1083 109.1624       301.6154 449.6557       199.0073 78.52048 34.37552 110.4775 29.96358 -31.95703      45.60145 
1 1 1 22  13 36 o 48.32659 22.68989 -117.4721      163.3071 -183.0025      277.7962 -82.86633      201.8735 60.81860 28.86568 56.26438 26.01297 4.554222       38.85746 
1 1 1 22  13 37 o 74.37050 28.51446 174.6238       174.2138 50.17586       280.4513 252.8196       222.3080 72.37317 32.33776 84.65633 32.27169 -12.28316      45.68580 
1 1 1 22  13 38 o 88.93254 30.16506 295.7051       187.5394 49.64943       305.2906 444.8318       237.6701 73.72744 33.27431 105.0440 33.89650 -31.31660      47.49897 
1 1 1 22  13 39 o 43.52629 21.28384 -271.5352      180.6134 -97.05235      273.9894 -405.6218      240.1872 63.40268 29.64619 47.69826 23.56163 15.70442       37.86881 
1 1 1 22  14 0  o 158.0949 18.66259 754.6617       169.7062 698.7792       202.0939 888.3158       312.5407 150.7398 23.63641 167.2556 33.03461 -16.51575      40.61977 
1 1 1 22  14 1  o 56.00114 24.74025 -42.58284      159.5280 -0.8460681     184.5009 -166.2139      317.5433 63.97111 27.44452 73.51294 33.47691 -9.541828      43.28863 
1 1 1 22  14 2  o 148.1063 20.97337 668.5276       177.0860 704.8887       212.7249 586.4495       319.6049 151.0676 24.87529 134.8669 38.50492 16.20070       45.84113 
1 1 1 22  14 3  o 178.2178 20.60752 961.4946       211.4273 941.4900       240.5831 1029.349       443.0873 175.3606 24.02369 176.6464 43.14650 -1.285873      49.38378 
1 1 1 22  14 4  o 212.4850 18.32396 1353.890       226.1198 1542.820       264.6583 843.1549       435.1451 226.4279 20.13982 159.7265 44.70000 66.70140       49.02757 
1 1 1 22  14 5  o 210.5979 22.56245 1344.832       274.3319 1344.832       274.3319 0.000000       0.000000 210.5979 22.56245 ?        ?        0.000000       22.56245 
1 1 1 22  14 6  f 179.4337 27.01308 994.6874       275.4606 994.6874       275.4606 0.000000       0.000000 179.4337 27.01308 ?        ?        0.000000       27.01308 
1 1 1 22  14 7  o 116.2323 34.75288 424.9354       255.1497 424.9354       255.1497 0.000000       0.000000 116.2323 34.75288 ?        ?        0.000000       34.75288 
1 1 1 22  14 8  o 58.31193 27.27361 -213.6329      232.1639 -213.6329      232.1639 0.000000       0.000000 58.31193 27.27361 ?        ?        0.000000       27.27361 
1 1 1 22  14 9  o 110.5308 38.44366 354.0105       305.1602 354.0105       305.1602 0.000000       0.000000 110.5308 38.44366 ?        ?        0.000000       38.44366 
1 1 1 22  14 10 o 341.8916 17.64668 3483.638       352.6387 3483.638       352.6387 0.000000       0.000000 341.8916 17.64668 ?        ?        0.000000       17.64668 
1 1 1 22  14 11 o 452.6356 24.21119 6181.304       640.3721 6181.304       640.3721 0.000000       0.000000 452.6356 24.21119 ?        ?        0.000000       24.21119 
1 1 1 22  14 12 f 279.7675 19.76132 2346.743       322.1516 2346.743       322.1516 0.000000       0.000000 279.7675 19.76132 ?        ?        0.000000       19.76132 
1 1 1 22  14 13 o 294.6417 23.27404 2624.988       398.9124 2624.988       398.9124 0.000000       0.000000 294.6417 23.27404 ?        ?        0.000000       23.27404 
1 1 1 22  14 14 o 245.4917 25.82275 1842.478       366.2226 1842.478       366.2226 0.000000       0.000000 245.4917 25.82275 ?        ?        0.000000       25.82275 
1 1 1 22  14 15 o 265.1058 24.51553 2140.679       376.8471 2140.679       376.8471 0.000000       0.000000 265.1058 24.51553 ?        ?        0.000000       24.51553 
1 1 1 22  14 16 o 124.1589 31.93184 494.2765       233.8196 546.4655       272.9859 350.5334       453.0481 130.0060 35.02280 118.3053 45.81830 11.70071       57.67073 
1 1 1 22  14 17 o 218.3077 19.40812 1438.307       245.8991 1594.054       285.3090 988.4614       484.8837 229.2027 21.47496 170.0184 47.03912 59.18425       51.70931 
1 1 1 22  14 18 o 258.6994 16.22254 2002.086       244.8911 1901.141       289.3453 2256.994       459.7972 250.8439 19.82928 268.8087 29.65815 -17.96489      35.67641 
1 1 1 22  14 19 o 70.84572 29.88079 35.89804       212.3496 -74.54234      270.9015 211.8999       341.9843 71.37260 31.84389 99.09422 39.37526 -27.72162      50.64035 
1 1 1 22  14 20 o 79.12183 31.15926 128.0152       212.4010 321.3304       281.5672 -127.2469      323.5505 104.1902 36.87421 75.29232 34.09122 28.89788       50.21871 
1 1 1 22  14 21 o 42.68546 21.20895 -484.3788      205.4952 -424.1653      273.2607 -562.7532      311.7579 55.44904 26.90239 56.58738 27.73173 -1.138340      38.63661 
1 1 1 22  14 22 o 260.2835 15.57650 2030.570       236.6877 1923.514       316.1633 2167.066       356.9984 250.7640 21.71158 265.5314 23.15590 -14.76740      31.74253 
1 1 1 22  14 23 f 271.7639 20.35510 2252.628       322.0688 2252.628       322.0688 0.000000       0.000000 271.7639 20.35510 ?        ?        0.000000       20.35510 
1 1 1 22  14 24 o 63.30851 28.10252 -43.85472      208.2561 -478.7220      291.1956 411.4451       297.9581 55.77534 27.21972 112.1963 38.02237 -56.42091      46.76124 
1 1 1 22  14 25 o 188.0046 17.94486 1081.066       195.4629 1268.042       279.9230 903.1501       273.0573 200.4845 24.30276 166.2839 29.05676 34.20052       37.88033 
1 1 1 22  14 26 o 49.47262 23.45472 -189.8756      182.4258 -464.8092      268.1608 46.96941       248.8934 52.33401 25.66220 74.40060 31.89662 -22.06660      40.93829 
1 1 1 22  14 27 o 222.3549 16.32114 1510.400       211.3544 1113.404       326.4663 1796.851       277.3134 180.8333 31.95109 240.3835 19.84720 -59.55022      37.61361 
1 1 1 22  14 28 o 94.19561 30.45226 298.8941       191.7683 -13.32789      308.0883 496.3716       245.0204 75.90182 33.90550 118.1844 33.70492 -42.28258      47.80799 
1 1 1 22  14 29 o 90.09136 36.81681 211.5255       308.2880 211.5255       308.2880 0.000000       0.000000 90.09136 36.81681 ?        ?        0.000000       36.81681 
1 1 1 22  14 30 o 58.12351 25.75504 -17.71346      174.1472 248.8127       297.5263 -156.6093      214.7831 91.66004 36.62572 55.66117 26.09784 35.99887       44.97266 
1 1 1 22  14 31 o 97.08701 28.57758 329.3435       173.6169 97.94823       308.4105 436.6924       210.0635 80.65408 35.04346 110.1945 31.13526 -29.54044      46.87695 
1 1 1 22  14 32 o 92.85691 28.17654 301.9767       166.8260 124.8972       309.1431 374.7313       198.1552 81.73676 35.29993 101.9091 30.66238 -20.17236      46.75753 
1 1 1 22  14 33 o 124.8903 23.44662 522.6658       165.4299 589.4109       311.7120 496.4955       195.1859 120.2813 38.81949 118.2383 28.48663 2.042946       48.15019 
1 1 1 22  14 34 o 72.97741 28.07178 157.8285       169.2258 -416.0593      304.5293 414.2164       203.5468 56.22666 27.52431 105.6579 30.90021 -49.43124      41.38128 
1 1 1 22  14 35 o 66.92642 26.86600 113.2906       160.8501 91.58863       292.3130 122.7157       192.6374 76.44934 33.64301 70.74668 29.02902 5.702660       44.43575 
1 1 1 22  14 36 o 103.8588 27.53814 390.5326       170.4428 618.4422       280.1295 256.5645       214.7723 122.8215 36.33884 85.10100 31.88004 37.72054       48.34096 
1 1 1 22  14 37 o 164.7989 18.94778 880.5627       179.8032 1025.136       298.4739 798.2133       225.2643 164.6275 32.06727 150.3560 26.51456 14.27153       41.60928 
1 1 1 22  14 38 o 65.35426 27.04234 98.08586       169.0387 -241.8566      296.7198 261.4250       205.6785 59.90017 28.80627 84.59709 31.29289 -24.69692      42.53288 
1 1 1 22  14 39 o 96.95965 28.71347 353.7506       174.8341 207.6859       300.8418 428.2393       214.8376 82.39603 35.18979 103.9594 32.05798 -21.56337      47.60289 
1 1 1 22  15 0  o 142.4162 23.58800 625.0834       190.1254 721.7227       215.3511 283.5562       404.8396 152.8911 24.87077 111.0220 43.22437 41.86906       49.86884 
1 1 1 22  15 1  o 174.8963 47.73476 1026.275       503.2062 0.000000       0.000000 1026.275       503.2062 ?        ?        174.8963 47.73476 0.000000       47.73476 
1 1 1 22  15 2  o 388.4507 23.93376 4558.098       542.6046 0.000000       0.000000 4558.098       542.6046 ?        ?        388.4507 23.93376 0.000000       23.93376 
1 1 1 22  15 3  o 105.4829 29.56141 349.4325       190.1710 385.2402       213.8963 214.3497       415.4468 110.5860 31.47631 107.0702 43.10848 3.515732       53.37695 
1 1 1 22  15 4  o 259.9423 31.87084 2099.637       475.7166 0.000000       0.000000 2099.637       475.7166 ?        ?        259.9423 31.87084 0.000000       31.87084 
1 1 1 22  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  15 6  o 133.0307 31.23853 562.0137       239.5343 562.0137       239.5343 0.000000       0.000000 133.0307 31.23853 ?        ?        0.000000       31.23853 
1 1 1 22  15 7  o 89.90584 34.94034 171.4364       264.1610 171.4364       264.1610 0.000000       0.000000 89.90584 34.94034 ?        ?        0.000000       34.94034 
1 1 1 22  15 8  o 88.56120 34.31349 167.8603       254.1770 167.8603       254.1770 0.000000       0.000000 88.56120 34.31349 ?        ?        0.000000       34.31349 
1 1 1 22  15 9  o 552.4839 15.55622 9054.647       503.5490 9054.647       503.5490 0.000000       0.000000 552.4839 15.55622 ?        ?        0.000000       15.55622 
1 1 1 22  15 10 o 158.1183 51.98118 819.2766       557.5853 819.2766       557.5853 0.000000       0.000000 158.1183 51.98118 ?        ?        0.000000       51.98118 
1 1 1 22  15 11 o 329.3936 17.12866 3232.945       329.7574 3232.945       329.7574 0.000000       0.000000 329.3936 17.12866 ?        ?        0.000000       17.12866 
1 1 1 22  15 12 o 122.9324 38.28137 477.0199       305.4922 477.0199       305.4922 0.000000       0.000000 122.9324 38.28137 ?        ?        0.000000       38.28137 
1 1 1 22  15 13 o 206.8529 28.16176 1324.597       332.7788 1324.597       332.7788 0.000000       0.000000 206.8529 28.16176 ?        ?        0.000000       28.16176 
1 1 1 22  15 14 o 118.8829 38.59083 441.4432       307.7820 441.4432       307.7820 0.000000       0.000000 118.8829 38.59083 ?        ?        0.000000       38.59083 
1 1 1 22  15 15 o 160.9435 28.69800 814.0215       260.9434 814.0215       260.9434 0.000000       0.000000 160.9435 28.69800 ?        ?        0.000000       28.69800 
1 1 1 22  15 16 o 188.2008 31.34288 1121.613       333.7868 1121.613       333.7868 0.000000       0.000000 188.2008 31.34288 ?        ?        0.000000       31.34288 
1 1 1 22  15 17 o 73.30807 30.94370 37.76797       228.0159 97.86987       259.5345 -165.5764      477.3831 82.17462 33.70374 91.12195 41.31895 -8.947327      53.32165 
1 1 1 22  15 18 o 203.5517 19.48893 1255.646       229.8174 1116.677       265.0764 1676.278       461.1718 190.1325 24.32860 227.7192 35.70410 -37.58665      43.20490 
1 1 1 22  15 19 o 51.73338 24.70521 -261.4977      209.9590 -208.5816      261.8490 -356.7791      351.3671 62.66119 29.19417 68.79931 32.59798 -6.138115      43.75989 
1 1 1 22  15 20 o 90.02444 31.65253 233.8987       207.2085 421.1303       269.6896 -35.88795      323.7314 114.2352 36.02579 80.17260 35.33841 34.06257       50.46445 
1 1 1 22  15 21 o 58.81412 26.86708 -114.3925      206.5887 1.713052       270.2159 -277.7288      320.4982 75.73341 32.85436 67.62100 31.76073 8.112404       45.69631 
1 1 1 22  15 22 o 227.2032 16.84528 1557.129       222.8655 1541.057       316.6967 1572.898       313.6839 222.5507 24.67840 225.1377 24.13327 -2.586945      34.51721 
1 1 1 22  15 23 o 48.23206 23.37058 -312.8450      204.4938 -56.22475      280.2603 -605.0259      299.0488 72.74185 32.42632 53.25083 26.30190 19.49102       41.75232 
1 1 1 22  15 24 o 278.0914 13.44076 2315.151       218.5617 2216.091       299.1943 2428.498       320.0439 269.2935 19.06753 281.7057 19.49169 -12.41220      27.26714 
1 1 1 22  15 25 o 106.4579 29.33322 378.5172       188.9881 239.8047       268.2713 515.1769       266.2788 92.43779 35.39874 121.7887 35.26365 -29.35088      49.96594 
1 1 1 22  15 26 o 257.7885 13.56473 2001.790       204.3592 1803.556       281.5145 2222.630       297.1326 240.8622 20.11224 268.3231 19.00470 -27.46091      27.67094 
1 1 1 22  15 27 o 125.2935 25.02346 516.0753       177.4363 177.4976       267.9488 780.4985       236.7949 85.43952 34.54176 153.3581 27.33014 -67.91856      44.04622 
1 1 1 22  15 28 o 205.0624 16.60457 1294.011       197.9868 1091.026       310.5270 1433.047       256.9984 178.4975 30.77420 213.0714 20.83208 -34.57384      37.16217 
1 1 1 22  15 29 o 161.8325 19.11747 823.9647       177.9470 860.0132       304.0079 805.1766       219.4736 154.5133 34.42933 156.5544 24.72354 -2.041016      42.38670 
1 1 1 22  15 30 o 78.34508 29.16595 185.7218       179.1973 219.4494       320.8377 170.4299       216.0344 90.09875 37.26609 79.27323 31.36055 10.82552       48.70571 
1 1 1 22  15 31 o 109.1958 39.50069 466.9154       324.9617 466.9154       324.9617 0.000000       0.000000 109.1958 39.50069 ?        ?        0.000000       39.50069 
1 1 1 22  15 32 o 58.94993 25.59038 19.49043       164.1605 -461.7286      320.0135 191.3458       191.2399 57.17710 28.03634 78.81027 29.95832 -21.63317      41.03093 
1 1 1 22  15 33 o 67.72193 27.27034 110.9139       166.2815 59.69563       303.1819 132.9485       198.8584 76.35258 33.89938 72.90587 29.65354 3.446709       45.03888 
1 1 1 22  15 34 o 96.80241 26.45862 331.9014       154.4712 444.3770       287.1563 286.1004       183.2427 104.9173 37.22806 89.08264 29.81642 15.83466       47.69641 
1 1 1 22  15 35 o 90.60006 27.82245 296.6332       162.0241 -182.6225      282.4626 531.6519       197.8010 61.32144 29.10514 121.1316 28.34827 -59.81020      40.62922 
1 1 1 22  15 36 o 85.78077 28.38002 265.5327       166.1146 -61.74266      287.8055 429.0228       203.4175 67.05671 31.02278 106.2757 30.83611 -39.21899      43.74105 
1 1 1 22  15 37 o 89.43071 29.81774 299.0771       183.2861 323.0046       320.5349 287.4528       223.4150 91.78272 37.52839 87.64400 32.57800 4.138725       49.69613 
1 1 1 22  15 38 o 68.61861 28.27530 118.6798       183.7724 55.72800       287.9105 161.9620       238.7304 72.52562 32.55801 76.28307 31.89664 -3.757454      45.57872 
1 1 1 22  16 0  o 128.5456 25.71943 515.8075       187.1211 428.9386       207.3865 896.2589       434.0083 116.3525 30.14919 164.5665 44.08427 -48.21398      53.40784 
1 1 1 22  16 1  o 179.1835 18.17275 965.1949       188.3335 835.5703       225.6228 1263.050       342.0121 165.0340 24.01490 201.5289 29.83730 -36.49492      38.30117 
1 1 1 22  16 2  f 209.0581 17.54444 1308.477       213.1257 1411.568       242.9714 964.4801       443.8355 216.7329 19.31748 170.7359 44.03720 45.99709       48.08784 
1 1 1 22  16 3  o 55.11373 25.25087 -120.1185      184.2627 60.24967       203.8562 -925.4160      430.7470 72.39417 29.80046 63.32463 31.33029 9.069534       43.23949 
1 1 1 22  16 4  o 49.12389 23.30490 -212.1729      180.6862 -197.6430      195.7926 -295.5816      469.1053 52.73585 24.78661 86.30251 39.81277 -33.56665      46.89811 
1 1 1 22  16 5  o 232.3047 39.79708 1732.825       522.7054 0.000000       0.000000 1732.825       522.7054 ?        ?        232.3047 39.79708 0.000000       39.79708 
1 1 1 22  16 6  o 354.0691 18.16800 3740.238       376.0028 3740.238       376.0028 0.000000       0.000000 354.0691 18.16800 ?        ?        0.000000       18.16800 
1 1 1 22  16 7  o 517.0974 22.86664 8040.742       691.7510 8040.742       691.7510 0.000000       0.000000 517.0974 22.86664 ?        ?        0.000000       22.86664 
1 1 1 22  16 8  o 148.0043 28.61620 686.6359       239.4054 686.6359       239.4054 0.000000       0.000000 148.0043 28.61620 ?        ?        0.000000       28.61620 
1 1 1 22  16 9  o 263.1490 18.85128 2073.853       289.0057 2073.853       289.0057 0.000000       0.000000 263.1490 18.85128 ?        ?        0.000000       18.85128 
1 1 1 22  16 10 f 56.27148 26.58510 -248.6569      230.5292 -248.6569      230.5292 0.000000       0.000000 56.27148 26.58510 ?        ?        0.000000       26.58510 
1 1 1 22  16 11 o 254.3599 21.74452 1953.806       321.2681 1953.806       321.2681 0.000000       0.000000 254.3599 21.74452 ?        ?        0.000000       21.74452 
1 1 1 22  16 12 o 144.2768 33.42580 668.2983       277.2802 668.2983       277.2802 0.000000       0.000000 144.2768 33.42580 ?        ?        0.000000       33.42580 
1 1 1 22  16 13 o 363.2385 15.10063 3922.136       320.9884 3922.136       320.9884 0.000000       0.000000 363.2385 15.10063 ?        ?        0.000000       15.10063 
1 1 1 22  16 14 o 160.6665 34.28616 832.1155       313.2226 832.1155       313.2226 0.000000       0.000000 160.6665 34.28616 ?        ?        0.000000       34.28616 
1 1 1 22  16 15 o 183.7645 32.12769 1074.996       333.6515 1074.996       333.6515 0.000000       0.000000 183.7645 32.12769 ?        ?        0.000000       32.12769 
1 1 1 22  16 16 o 315.1482 16.13208 2967.354       297.1723 2967.354       297.1723 0.000000       0.000000 315.1482 16.13208 ?        ?        0.000000       16.13208 
1 1 1 22  16 17 o 150.4183 26.20968 710.6956       222.8142 604.1772       254.1592 1064.406       463.1455 136.4294 32.27320 176.0427 44.76490 -39.61334      55.18565 
1 1 1 22  16 18 o 211.8817 18.29324 1356.116       225.0943 1292.763       263.8431 1525.546       431.4738 205.4072 22.25701 216.9771 35.10535 -11.56998      41.56633 
1 1 1 22  16 19 o 143.3512 24.97131 645.2500       202.3137 822.2271       259.9364 373.2948       322.2235 160.7668 28.61811 111.0195 39.43148 49.74728       48.72205 
1 1 1 22  16 20 o 147.7034 25.29939 686.6165       211.2759 749.0126       282.7821 607.7784       317.8638 151.3051 32.81413 134.4770 38.40194 16.82808       50.51214 
1 1 1 22  16 21 o 216.0963 17.32125 1411.271       217.6846 2030.564       312.4872 827.4013       303.4182 257.8457 20.84184 158.3059 33.71471 99.53973       39.63665 
1 1 1 22  16 22 o 56.91122 26.14897 -121.2271      199.5301 -79.53744      278.1642 -165.4131      286.3712 71.15786 31.96837 67.65688 31.17358 3.500977       44.65163 
1 1 1 22  16 23 o 168.0833 21.28951 877.6737       205.1647 797.8881       291.5902 955.8987       288.7245 154.3114 33.20498 171.2196 29.83668 -16.90820      44.64077 
1 1 1 22  16 24 o 199.1602 16.62244 1207.557       192.3858 1083.230       267.5024 1340.763       276.8897 184.1191 25.45308 206.4330 23.27590 -22.31390      34.49097 
1 1 1 22  16 25 o 108.8925 28.07269 396.9602       180.4232 269.0635       257.6038 520.1105       252.7785 93.96297 34.97137 122.0572 34.03658 -28.09427      48.80047 
1 1 1 22  16 26 o 76.48784 28.74694 162.1987       174.9340 -446.3918      266.9595 620.1803       231.5830 52.35465 25.65835 134.8772 30.04641 -82.52258      39.51124 
1 1 1 22  16 27 o 110.8947 26.29194 412.6145       168.3790 287.1277       259.6855 503.6400       221.1720 94.45036 35.12016 120.1401 31.13738 -25.68976      46.93573 
1 1 1 22  16 28 o 139.5106 20.79891 621.4130       164.9834 502.9659       258.9222 702.3768       214.0685 117.4694 34.98160 145.3213 26.07539 -27.85185      43.63070 
1 1 1 22  16 29 o 72.06654 27.56812 142.1103       162.5941 -197.4308      270.5000 334.1870       203.4503 61.33968 28.92425 97.61338 31.34888 -36.27370      42.65401 
1 1 1 22  16 30 o 76.32664 28.67961 174.5384       174.0934 257.0478       301.4344 133.2409       213.2569 91.23879 36.72500 75.12122 30.65063 16.11757       47.83499 
1 1 1 22  16 31 f 74.81962 28.57143 164.4215       174.4454 -233.9987      314.2764 341.8385       209.7194 64.16506 30.52512 97.19463 31.87546 -33.02957      44.13420 
1 1 1 22  16 32 o 97.75089 27.86209 338.9904       167.4794 153.8156       302.8004 420.6081       201.0284 82.42220 35.25518 107.2536 30.51052 -24.83142      46.62424 
1 1 1 22  16 33 o 78.91095 34.16119 123.6264       290.9010 123.6264       290.9010 0.000000       0.000000 78.91095 34.16119 ?        ?        0.000000       34.16119 
1 1 1 22  16 34 o 54.10593 23.97261 -6.369830      150.8426 -91.36726      268.0483 33.02182       182.4787 64.02425 29.73020 61.75129 26.89146 2.272964       40.08784 
1 1 1 22  16 35 o 122.6796 22.46976 508.2061       155.7112 536.1017       259.7418 492.5569       194.5451 115.1323 35.20282 115.9538 28.75078 -0.8214264     45.45158 
1 1 1 22  16 36 o 44.19099 21.26215 -187.0630      162.1188 -358.2161      322.1898 -129.0378      187.5977 58.92847 28.73061 51.30104 24.15887 7.627430       37.53797 
1 1 1 22  16 37 o 54.59914 25.62771 -118.8735      208.0812 0.000000       0.000000 -118.8735      208.0812 ?        ?        54.59914 25.62771 0.000000       25.62771 
1 1 1 22  16 38 o 149.4167 23.36363 766.0900       198.0331 970.3649       301.8769 611.7716       262.3804 156.7052 33.83870 121.6922 34.93417 35.01299       48.63593 
1 1 1 22  17 0  o 190.1569 17.07360 1082.937       188.3843 1149.697       220.2250 900.8339       363.7190 195.3785 19.47866 166.7836 38.03094 28.59485       42.72903 
1 1 1 22  17 1  o 237.3652 15.28340 1676.667       211.6282 1911.024       255.4241 1163.538       377.9512 252.9683 17.32103 191.3293 34.97070 61.63898       39.02523 
1 1 1 22  17 2  o 161.5371 20.47519 791.5652       189.6259 653.8607       205.8677 1562.415       487.0786 145.3496 25.05486 220.5679 39.08416 -75.21822      46.42540 
1 1 1 22  17 3  f 237.3194 16.08610 1678.472       222.5667 1485.126       247.8114 2485.035       506.1429 222.3948 19.18712 283.5034 30.94314 -61.10860      36.40911 
1 1 1 22  17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 22  17 5  o 238.7443 36.83839 1808.540       499.2274 0.000000       0.000000 1808.540       499.2274 ?        ?        238.7443 36.83839 0.000000       36.83839 
1 1 1 22  17 6  o 526.4446 14.84279 8216.171       457.8098 8216.171       457.8098 0.000000       0.000000 526.4446 14.84279 ?        ?        0.000000       14.84279 
1 1 1 22  17 7  o 230.2366 39.38926 1702.964       512.7612 1702.964       512.7612 0.000000       0.000000 230.2366 39.38926 ?        ?        0.000000       39.38926 
1 1 1 22  17 8  o 150.8104 25.33516 704.1088       216.1438 704.1088       216.1438 0.000000       0.000000 150.8104 25.33516 ?        ?        0.000000       25.33516 
1 1 1 22  17 9  o 146.7921 24.39235 665.8508       202.6272 665.8508       202.6272 0.000000       0.000000 146.7921 24.39235 ?        ?        0.000000       24.39235 
1 1 1 22  17 10 o 209.5333 19.30227 1321.917       234.5345 1321.917       234.5345 0.000000       0.000000 209.5333 19.30227 ?        ?        0.000000       19.30227 
1 1 1 22  17 11 o 103.9123 32.99443 332.9106       225.8695 332.9106       225.8695 0.000000       0.000000 103.9123 32.99443 ?        ?        0.000000       32.99443 
1 1 1 22  17 12 o 160.0275 24.36875 790.7693       221.4960 790.7693       221.4960 0.000000       0.000000 160.0275 24.36875 ?        ?        0.000000       24.36875 
1 1 1 22  17 13 o 157.4506 25.23662 769.6797       225.1685 769.6797       225.1685 0.000000       0.000000 157.4506 25.23662 ?        ?        0.000000       25.23662 
1 1 1 22  17 14 o 219.8574 19.80899 1461.733       252.6832 1461.733       252.6832 0.000000       0.000000 219.8574 19.80899 ?        ?        0.000000       19.80899 
1 1 1 22  17 15 o 251.9183 18.07925 1908.881       265.3342 1908.881       265.3342 0.000000       0.000000 251.9183 18.07925 ?        ?        0.000000       18.07925 
1 1 1 22  17 16 o 388.8005 14.43848 4500.265       328.6575 4500.265       328.6575 0.000000       0.000000 388.8005 14.43848 ?        ?        0.000000       14.43848 
1 1 1 22  17 17 o 71.55818 30.09292 42.55589       214.3719 37.70118       247.8471 56.97468       427.1362 75.67943 32.11726 96.34071 41.54947 -20.66129      52.51549 
1 1 1 22  17 18 o 68.07888 29.03407 19.17953       204.2797 -27.97293      243.1891 132.1950       376.4965 70.21500 30.79968 95.97733 40.08845 -25.76232      50.55397 
1 1 1 22  17 19 o 89.04305 30.73716 233.8701       194.9148 -62.29590      258.5061 624.1044       296.7331 70.02169 31.18259 136.7048 36.37581 -66.68316      47.91194 
1 1 1 22  17 20 o 209.6361 16.88369 1326.580       205.8250 1368.522       275.0597 1273.212       310.2722 210.6178 22.62217 201.0092 27.00175 9.608612       35.22580 
1 1 1 22  17 21 o 80.80762 30.10499 171.6902       190.9904 9.032880       261.5760 357.4270       279.5183 74.60418 32.34487 106.4268 36.80508 -31.82265      48.99801 
1 1 1 22  17 22 o 45.01439 21.81304 -274.6211      178.2274 -297.5178      250.6201 -251.1937      253.5079 56.22683 26.88933 58.64581 27.75807 -2.418976      38.64643 
1 1 1 22  17 23 o 149.2991 21.77080 700.2863       185.0178 798.0859       254.3040 590.3010       269.6819 155.9430 28.86885 130.9092 34.60639 25.03377       45.06676 
1 1 1 22  17 24 o 147.0454 20.85527 679.7784       174.8135 726.6418       243.2184 629.6959       251.4335 147.7582 29.10282 135.6398 32.10848 12.11836       43.33508 
1 1 1 22  17 25 o 160.4095 19.45601 804.2481       179.2979 755.5961       253.9375 852.6161       253.1952 149.4066 30.02334 160.3132 27.94533 -10.90668      41.01637 
1 1 1 22  17 26 o 235.5887 13.15961 1675.181       181.1000 1722.017       266.0923 1634.765       247.1803 234.9690 19.48455 229.5679 18.51610 5.401108       26.87924 
1 1 1 22  17 27 o 56.43291 25.08648 -26.56265      166.5543 -72.06651      263.8079 3.596555       214.7700 67.16875 30.55881 65.73705 28.88633 1.431709       42.05069 
1 1 1 22  17 28 o 160.0175 17.34480 797.5365       160.1751 1121.415       260.9392 601.7125       202.8997 184.9564 24.67047 133.4380 26.85762 51.51842       36.46867 
1 1 1 22  17 29 o 169.5946 16.01586 890.6888       157.4122 1135.802       269.9478 764.4015       193.7654 184.6446 25.61746 153.3795 22.18421 31.26508       33.88795 
1 1 1 22  17 30 o 77.73987 26.97578 197.3743       150.2116 339.3344       257.2078 123.8953       185.0472 96.86468 35.12804 71.39141 28.76096 25.47327       45.40013 
1 1 1 22  17 31 o 44.68742 21.28601 -159.8462      153.8085 -558.8682      275.8464 20.18294       185.2850 49.14265 24.44319 61.82264 27.00682 -12.67999      36.42579 
1 1 1 22  17 32 o 115.0205 24.61581 453.0578       161.0350 277.4954       303.1472 522.0742       190.0702 90.89949 36.74361 121.7761 27.29069 -30.87661      45.76980 
1 1 1 22  17 33 o 90.68435 28.22894 295.7478       166.1337 170.9283       310.8553 345.6542       196.5600 82.82752 35.58025 96.45831 30.79664 -13.63078      47.05727 
1 1 1 22  17 34 o 59.00127 25.83535 20.44313       170.4416 365.5995       300.7436 -142.8712      206.8714 96.34125 37.32549 53.64255 25.29470 42.69870       45.08895 
1 1 1 22  17 35 o 66.01791 30.92032 -107.8721      300.1164 -107.8721      300.1164 0.000000       0.000000 66.01791 30.92032 ?        ?        0.000000       30.92032 
1 1 1 22  17 36 o 64.26318 26.13308 101.3085       154.4082 21.69262       307.7309 128.0978       178.5056 72.30544 32.93810 69.18147 28.11125 3.123978       43.30313 
1 1 1 22  17 37 o 146.1000 21.03166 712.0724       175.0229 452.9667       312.6735 830.3055       211.2138 101.9125 38.40454 155.2746 23.96412 -53.36207      45.26796 
1 1 1 22  18 0  o 181.7607 17.62730 991.7657       185.5477 969.5410       202.5138 1107.982       463.0934 179.2082 19.58701 182.9804 43.74699 -3.772171      47.93172 
1 1 1 22  18 1  o 219.4574 15.74001 1435.860       201.2390 1461.584       222.2771 1318.941       473.8801 221.0553 17.28251 200.9721 41.57754 20.08325       45.02641 
1 1 1 22  18 2  o 368.5175 14.36493 4027.025       309.8700 4292.747       371.0099 3414.124       563.4653 379.7668 16.69864 333.5019 29.09948 46.26492       33.55032 
1 1 1 22  18 3  o 121.7309 25.75290 463.8692       178.1083 547.3958       192.1264 -46.66725      474.9939 132.5084 25.64969 97.56390 42.91215 34.94447       49.99360 
1 1 1 22  18 4  f 225.5405 16.26154 1517.863       213.6540 1530.031       238.0453 1467.447       484.5381 225.9822 18.11272 212.8449 40.29132 13.13730       44.17535 
1 1 1 22  18 5  o 134.2583 23.68547 557.4700       179.6833 661.8475       194.6857 -42.54639      466.7798 146.6448 23.42468 96.89757 42.58200 49.74722       48.59982 
1 1 1 22  18 6  o 235.4709 39.15652 1782.305       521.7614 1782.305       521.7614 0.000000       0.000000 235.4709 39.15652 ?        ?        0.000000       39.15652 
1 1 1 22  18 7  o 101.3060 28.78002 321.8257       178.9908 321.8257       178.9908 0.000000       0.000000 101.3060 28.78002 ?        ?        0.000000       28.78002 
1 1 1 22  18 8  o 166.6120 19.25754 839.6613       184.7135 839.6613       184.7135 0.000000       0.000000 166.6120 19.25754 ?        ?        0.000000       19.25754 
1 1 1 22  18 9  o 244.2786 15.92826 1780.297       226.9495 1780.297       226.9495 0.000000       0.000000 244.2786 15.92826 ?        ?        0.000000       15.92826 
1 1 1 22  18 10 o 372.5556 14.66549 4123.492       319.8078 4123.492       319.8078 0.000000       0.000000 372.5556 14.66549 ?        ?        0.000000       14.66549 
1 1 1 22  18 11 o 262.4944 29.51849 2140.932       446.5605 2140.932       446.5605 0.000000       0.000000 262.4944 29.51849 ?        ?        0.000000       29.51849 
1 1 1 22  18 12 o 229.1326 17.92938 1577.491       239.0192 1577.491       239.0192 0.000000       0.000000 229.1326 17.92938 ?        ?        0.000000       17.92938 
1 1 1 22  18 13 o 340.5954 18.77854 3486.114       373.6518 3486.114       373.6518 0.000000       0.000000 340.5954 18.77854 ?        ?        0.000000       18.77854 
1 1 1 22  18 14 o 190.6180 25.55589 1127.693       278.5055 1127.693       278.5055 0.000000       0.000000 190.6180 25.55589 ?        ?        0.000000       25.55589 
1 1 1 22  18 15 o 57.67150 27.75192 -378.0791      276.4041 -378.0791      276.4041 0.000000       0.000000 57.67150 27.75192 ?        ?        0.000000       27.75192 
1 1 1 22  18 16 o 273.1522 15.78369 2233.390       251.7736 2233.390       251.7736 0.000000       0.000000 273.1522 15.78369 ?        ?        0.000000       15.78369 
1 1 1 22  18 17 o 257.4298 14.62729 1979.745       219.9289 1999.747       256.4873 1924.199       427.4266 257.8852 17.05430 246.6207 30.17977 11.26442       34.66508 
1 1 1 22  18 18 o 145.1297 24.95457 662.5856       204.7456 989.4554       248.4626 -29.01448      361.4108 178.2565 24.40673 84.57640 37.30653 93.68007       44.58100 
1 1 1 22  18 19 o 186.0842 18.89839 1054.891       203.3880 968.9958       264.1347 1180.002       318.7779 175.1565 26.54353 192.2716 29.18553 -17.11514      39.45066 
1 1 1 22  18 20 o 53.59784 24.88085 -141.6823      187.5119 -261.1438      250.5757 10.35289       282.6813 57.98081 27.48853 77.28727 33.56550 -19.30646      43.38504 
1 1 1 22  18 21 o 77.99973 29.11948 159.8698       178.8739 326.3462       246.2441 -26.11145      260.2700 101.3419 34.56234 71.75192 31.65392 29.58997       46.86711 
1 1 1 22  18 22 o 61.97264 26.17947 31.70071       163.4169 178.1526       219.0123 -152.2489      245.4542 83.13181 31.94626 61.89245 28.63918 21.23936       42.90415 
1 1 1 22  18 23 o 45.63848 21.75533 -187.3755      161.2862 -35.64666      225.7274 -345.6362      230.5349 65.57413 29.17417 50.72001 24.63165 14.85412       38.18180 
1 1 1 22  18 24 o 121.2345 25.29428 483.1738       174.0199 659.1487       248.3157 313.3390       243.9451 138.6044 31.29129 97.48885 34.33844 41.11559       46.45722 
1 1 1 22  18 25 o 39.40720 19.48937 -346.9835      166.0958 -199.0913      230.4406 -506.8899      239.6180 56.38815 26.62201 46.50008 23.06968 9.888062       35.22701 
1 1 1 22  18 26 o 68.13089 27.16485 103.4190       163.3144 140.5957       246.3252 74.25931       218.1550 79.91398 32.81211 71.63632 30.25412 8.277657       44.63123 
1 1 1 22  18 27 o 48.79625 22.74483 -115.5983      159.2268 -165.6286      253.2831 -82.90607      204.7441 60.74780 28.43697 58.36803 26.69496 2.379765       39.00362 
1 1 1 22  18 28 o 207.0224 13.28931 1302.404       160.4983 1067.247       268.2457 1433.531       200.3092 178.4644 26.42652 215.5985 15.95486 -37.13406      30.86938 
1 1 1 22  18 29 o 132.8551 20.39699 570.1042       153.8551 378.4927       262.7289 670.1086       189.8046 101.0804 35.63318 142.1590 23.59243 -41.07858      42.73554 
1 1 1 22  18 30 o 64.31264 25.42839 100.7644       141.9639 -106.1772      246.6352 203.2998       173.6074 61.80330 28.63632 79.29385 28.84485 -17.49055      40.64560 
1 1 1 22  18 31 o 60.02666 24.89246 63.18694       143.6655 -95.47263      246.6228 144.6815       176.7520 62.02547 28.70302 72.29302 28.43830 -10.26756      40.40545 
1 1 1 22  18 32 o 78.10051 26.65163 207.0304       146.4261 -157.4034      249.0044 399.6630       181.0350 58.88823 27.76306 104.9608 28.62499 -46.07253      39.87703 
1 1 1 22  18 33 o 73.84524 27.11451 176.8128       153.9390 146.1381       241.8128 197.7152       199.6121 76.31383 32.01865 78.48652 30.40866 -2.172691      44.15746 
1 1 1 22  18 34 o 95.59664 28.51359 336.1020       171.9187 366.2773       298.6542 321.1475       210.2467 96.06314 37.20164 92.19772 31.91854 3.865417       49.01791 
1 1 1 22  18 35 o 83.01659 29.12855 248.5376       175.4185 42.34162       297.7889 358.1103       217.0800 72.80284 32.85944 95.83031 32.45442 -23.02747      46.18476 
1 1 1 22  18 36 o 85.60896 29.69632 271.2554       182.0303 415.8539       297.7418 184.9496       230.0265 99.02378 37.44074 77.66125 31.77727 21.36253       49.10809 
1 1 1 22  18 37 o 71.06664 32.37265 23.60083       297.2232 23.60083       297.2232 0.000000       0.000000 71.06664 32.37265 ?        ?        0.000000       32.37265 
1 1 1 22  19 0  o 119.4982 23.45506 443.9352       158.5082 492.2965       170.5848 138.2050       428.9045 125.8556 23.98633 103.0361 42.89283 22.81950       49.14406 
1 1 1 22  19 1  f 231.6734 14.43353 1596.031       195.1356 1691.547       217.8267 1207.896       439.1010 238.2390 15.67718 192.4293 40.20622 45.80971       43.15454 
1 1 1 22  19 2  o 252.5973 14.07721 1895.065       207.7181 2039.543       231.4123 1295.944       471.2413 261.8234 15.13500 198.7425 41.75927 63.08090       44.41739 
1 1 1 22  19 3  o 79.42976 26.36416 183.5498       143.3224 167.4226       151.0424 329.3250       454.1102 77.75285 27.04625 117.3766 45.75616 -39.62374      53.15191 
1 1 1 22  19 4  o 186.6635 16.96763 1044.690       183.7233 1086.559       200.6781 827.8497       456.6938 190.0823 18.22444 157.4879 46.34720 32.59438       49.80154 
1 1 1 22  19 5  o 68.68394 25.68727 111.0687       139.3172 88.26306       146.7919 318.0487       442.2268 66.82681 26.02499 115.6468 45.13293 -48.81995      52.09877 
1 1 1 22  19 6  o 162.6095 18.42522 798.6596       172.6221 888.4573       186.5349 263.1602       455.5195 171.4986 18.85668 112.7463 45.22775 58.75230       49.00126 
1 1 1 22  19 7  o 44.41343 21.10035 -179.3521      149.1627 -179.3521      149.1627 0.000000       0.000000 44.41343 21.10035 ?        ?        0.000000       21.10035 
1 1 1 22  19 8  o 249.0866 15.11070 1848.635       219.7039 1848.635       219.7039 0.000000       0.000000 249.0866 15.11070 ?        ?        0.000000       15.11070 
1 1 1 22  19 9  o 174.9679 18.51331 924.5512       187.0953 924.5512       187.0953 0.000000       0.000000 174.9679 18.51331 ?        ?        0.000000       18.51331 
1 1 1 22  19 10 o 329.1666 14.28381 3220.951       275.0904 3220.951       275.0904 0.000000       0.000000 329.1666 14.28381 ?        ?        0.000000       14.28381 
1 1 1 22  19 11 o 226.9726 34.65088 1650.351       446.6554 1650.351       446.6554 0.000000       0.000000 226.9726 34.65088 ?        ?        0.000000       34.65088 
1 1 1 22  19 12 o 534.3386 19.87983 8597.204       621.9019 8597.204       621.9019 0.000000       0.000000 534.3386 19.87983 ?        ?        0.000000       19.87983 
1 1 1 22  19 13 o 193.1821 21.52915 1140.721       239.7780 1140.721       239.7780 0.000000       0.000000 193.1821 21.52915 ?        ?        0.000000       21.52915 
1 1 1 22  19 14 o 158.0546 23.97744 776.6559       215.2920 776.6559       215.2920 0.000000       0.000000 158.0546 23.97744 ?        ?        0.000000       23.97744 
1 1 1 22  19 15 o 61.85543 28.58383 -166.8969      243.3089 -166.8969      243.3089 0.000000       0.000000 61.85543 28.58383 ?        ?        0.000000       28.58383 
1 1 1 22  19 16 o 125.0109 29.75310 506.1208       214.9713 506.1208       214.9713 0.000000       0.000000 125.0109 29.75310 ?        ?        0.000000       29.75310 
1 1 1 22  19 17 o 115.3886 28.82472 430.9559       194.4829 360.4506       223.7450 648.8602       393.3464 105.8912 32.72662 137.6744 43.51974 -31.78318      54.45181 
1 1 1 22  19 18 o 224.0357 16.06635 1510.731       209.6968 1236.250       248.9292 2181.527       389.1489 200.4742 21.50813 264.7066 25.37733 -64.23245      33.26573 
1 1 1 22  19 19 o 216.8045 15.44574 1414.599       195.1074 1480.578       251.0576 1313.986       310.0265 220.1184 19.65416 203.9275 26.55216 16.19095       33.03488 
1 1 1 22  19 20 o 65.93342 27.27142 56.54800       171.8236 103.5100       222.8535 -12.29269      269.8167 76.89668 31.34865 73.83241 32.41256 3.064270       45.09225 
1 1 1 22  19 21 o 121.4248 24.99443 476.5337       172.0565 551.5458       229.2322 379.7493       260.3831 128.2180 30.85880 106.7985 35.53818 21.41949       47.06620 
1 1 1 22  19 22 o 207.3053 14.51185 1299.063       175.3202 1246.267       244.2473 1355.176       251.8059 199.7215 21.17452 208.5173 20.87100 -8.795776      29.73145 
1 1 1 22  19 23 o 75.59108 28.02904 160.4461       165.1906 201.4746       220.7140 108.1943       249.0791 84.49380 32.16871 78.47553 32.67916 6.018265       45.85579 
1 1 1 22  19 24 o 56.27559 25.10738 -35.61963      168.3942 -121.3541      227.6708 67.93266       250.2128 59.97931 27.69312 75.05286 32.07407 -15.07355      42.37516 
1 1 1 22  19 25 o 44.04206 21.18470 -208.7003      160.6835 -61.26981      236.6976 -334.7173      218.8339 64.41388 29.16286 48.72530 23.73872 15.68858       37.60318 
1 1 1 22  19 26 o 123.5284 23.26332 500.1563       162.3528 422.2063       249.3548 557.5175       213.9039 108.0417 34.70652 126.9469 29.32162 -18.90521      45.43457 
1 1 1 22  19 27 o 76.77911 26.56052 187.9906       145.5733 62.23249       244.9938 256.6228       180.9886 72.86469 31.44632 87.29062 29.63326 -14.42593      43.20881 
1 1 1 22  19 28 o 44.64693 21.06515 -130.2560      143.8537 -389.1989      247.1201 2.464845       176.9195 50.41766 24.70439 59.60605 26.20407 -9.188389      36.01333 
1 1 1 22  19 29 o 119.9425 20.72196 469.0683       140.4958 420.6174       244.9592 492.8198       171.5095 105.5871 34.43872 120.3264 25.11658 -14.73933      42.62474 
1 1 1 22  19 30 o 65.33843 25.24872 114.7201       137.3505 148.3249       236.2918 97.57146       168.7960 77.30442 31.97838 66.64465 27.23974 10.65977       42.00738 
1 1 1 22  19 31 o 88.29159 26.11223 273.4008       144.6688 257.0193       231.5332 283.8924       185.2920 86.46047 32.94048 88.92684 29.98457 -2.466370      44.54380 
1 1 1 22  19 32 o 155.8636 17.11590 770.6472       153.8858 712.4085       234.7610 814.5244       203.7696 140.0253 29.51871 155.8288 22.98612 -15.80347      37.41278 
1 1 1 22  19 33 o 68.37151 26.18679 138.7173       146.8282 -235.2133      221.4458 432.0748       196.1420 51.42730 24.77076 107.3728 29.99686 -55.94550      38.90247 
1 1 1 22  19 34 o 45.06513 21.11420 -100.2388      140.1495 -310.1271      218.4631 46.55517       182.6998 47.97562 23.44849 62.37103 27.03653 -14.39541      35.78834 
1 1 1 22  19 35 o 93.20979 26.55575 315.9774       152.1767 233.2168       226.8382 383.7051       205.2049 81.99432 32.22808 99.25298 31.44091 -17.25867      45.02422 
1 1 1 22  19 36 o 90.87266 30.25698 314.3699       188.7382 21.55436       293.7773 520.1727       246.2901 70.89111 32.25060 112.6562 34.24624 -41.76511      47.04153 
1 1 1 22  20 0  o 338.5523 12.69534 3394.518       251.6232 3369.076       298.5108 3456.968       467.6786 336.5735 15.16164 337.5433 23.77689 -0.9698181     28.19957 
1 1 1 22  20 1  o 91.36174 23.76557 261.3853       128.5288 237.3265       136.3850 452.3514       384.2445 87.43388 25.21348 122.6029 43.10342 -35.16906      49.93620 
1 1 1 22  20 2  o 464.4557 22.12039 6505.912       600.8107 0.000000       0.000000 6505.912       600.8107 ?        ?        464.4557 22.12039 0.000000       22.12039 
1 1 1 22  20 3  o 292.6539 13.35103 2540.864       228.5463 2594.237       260.6264 2363.210       475.4924 295.2442 15.10191 275.9211 29.85899 19.32303       33.46083 
1 1 1 22  20 4  o 90.00263 23.53670 253.6317       125.6235 216.4894       131.3402 652.6475       430.4855 83.81587 24.90350 141.2286 45.62311 -57.41275      51.97742 
1 1 1 22  20 5  o 109.8008 22.25986 375.4801       138.4310 404.4025       146.2614 126.8553       428.8293 113.9439 22.68480 101.7524 42.66188 12.19150       48.31807 
1 1 1 22  20 6  o 205.0730 14.52082 1253.903       173.5132 1226.176       187.0246 1425.268       464.9486 202.4550 15.87838 208.8319 39.40716 -6.376846      42.48584 
1 1 1 22  20 7  o 223.0333 15.11135 1484.433       196.4951 1484.433       196.4951 0.000000       0.000000 223.0333 15.11135 ?        ?        0.000000       15.11135 
1 1 1 22  20 8  o 379.3907 14.34842 4278.585       318.6822 4278.585       318.6822 0.000000       0.000000 379.3907 14.34842 ?        ?        0.000000       14.34842 
1 1 1 22  20 9  o 320.2159 15.81282 3060.860       296.0448 3060.860       296.0448 0.000000       0.000000 320.2159 15.81282 ?        ?        0.000000       15.81282 
1 1 1 22  20 10 o 107.7007 26.74372 369.2971       168.1490 369.2971       168.1490 0.000000       0.000000 107.7007 26.74372 ?        ?        0.000000       26.74372 
1 1 1 22  20 11 o 203.9067 16.35681 1248.559       193.9659 1248.559       193.9659 0.000000       0.000000 203.9067 16.35681 ?        ?        0.000000       16.35681 
1 1 1 22  20 12 f 150.0323 20.66077 691.0045       176.9732 691.0045       176.9732 0.000000       0.000000 150.0323 20.66077 ?        ?        0.000000       20.66077 
1 1 1 22  20 13 o 273.6681 14.09977 2233.008       225.5382 2233.008       225.5382 0.000000       0.000000 273.6681 14.09977 ?        ?        0.000000       14.09977 
1 1 1 22  20 14 o 122.1932 30.32191 484.5601       216.2619 484.5601       216.2619 0.000000       0.000000 122.1932 30.32191 ?        ?        0.000000       30.32191 
1 1 1 22  20 15 o 302.3148 13.78113 2724.106       243.6975 2724.106       243.6975 0.000000       0.000000 302.3148 13.78113 ?        ?        0.000000       13.78113 
1 1 1 22  20 16 o 101.5357 30.90496 330.4248       200.4896 330.4248       200.4896 0.000000       0.000000 101.5357 30.90496 ?        ?        0.000000       30.90496 
1 1 1 22  20 17 o 222.6227 18.64352 1505.944       241.1819 1463.469       299.9914 1583.577       405.5658 217.0107 23.96993 221.0893 32.22569 -4.078613      40.16283 
1 1 1 22  20 18 o 163.3598 20.29350 823.0440       190.2462 833.0658       223.7695 796.9095       361.3556 162.7542 24.17671 151.2226 40.09727 11.53162       46.82205 
1 1 1 22  20 19 o 287.0246 12.17883 2456.063       204.5442 2550.137       260.6835 2305.364       329.9395 291.1013 15.32325 273.8640 20.69545 17.23734       25.75080 
1 1 1 22  20 20 o 104.9830 27.03342 362.5220       167.4440 412.6876       204.7817 261.3197       290.8596 110.9672 30.51803 96.10966 36.84531 14.85757       47.84274 
1 1 1 22  20 21 o 52.46000 24.04108 -91.54733      167.1705 -19.61181      206.6161 -227.8928      284.4544 63.94091 28.20579 63.30366 29.79184 0.6372528      41.02584 
1 1 1 22  20 22 o 136.2001 22.16968 592.8138       171.0022 539.2476       224.6599 666.5939       263.6628 125.3586 30.78596 138.3472 32.96627 -12.98865      45.10599 
1 1 1 22  20 23 o 97.25309 27.46628 318.7040       163.5105 310.3599       213.7065 330.4857       253.9414 95.92816 32.20084 98.97997 35.01966 -3.051804      47.57385 
1 1 1 22  20 24 o 205.2927 14.38810 1282.477       172.1350 1285.172       233.3375 1279.258       254.9695 202.2090 19.93484 200.2598 22.07502 1.949249       29.74398 
1 1 1 22  20 25 o 35.92495 17.89381 -355.9552      149.9583 50.89304       227.7098 -667.5245      199.2704 70.62896 30.39765 36.30923 18.40559 34.31973       35.53566 
1 1 1 22  20 26 o 147.3298 17.91272 681.3431       151.5990 830.5310       248.7468 593.1858       191.2140 155.9321 28.23960 133.0807 25.42607 22.85135       37.99947 
1 1 1 22  20 27 o 102.5490 25.28246 358.7898       151.0759 -160.8193      248.1238 664.9094       190.4476 59.63768 27.99031 141.6379 23.76805 -82.00020      36.72026 
1 1 1 22  20 28 o 121.4637 20.92765 481.5956       143.6991 856.9312       249.7251 295.7921       175.7031 157.1674 28.12521 91.61542 29.10184 65.55196       40.47153 
1 1 1 22  20 29 o 132.6276 18.48461 562.2137       139.8776 445.2714       237.3056 624.4771       173.1563 108.2514 33.74440 137.5082 22.22942 -29.25683      40.40831 
1 1 1 22  20 30 o 67.96105 25.27234 138.2197       134.4748 148.4689       218.3831 131.9598       170.6701 75.57266 30.94722 70.15968 27.83622 5.412979       41.62434 
1 1 1 22  20 31 o 78.88776 26.09760 214.0839       140.4707 50.62654       224.3203 319.5301       180.1697 67.81564 29.66827 93.42430 29.44346 -25.60866      41.79861 
1 1 1 22  20 32 o 88.64299 25.72802 278.7980       141.5858 229.6792       230.2308 308.6728       179.5526 82.70267 32.47974 91.46192 29.45748 -8.759247      43.84833 
1 1 1 22  20 33 o 65.59033 25.67800 119.4890       143.5155 17.80511       233.2975 181.3954       182.0336 65.89900 29.46609 75.40713 29.08631 -9.508125      41.40367 
1 1 1 22  20 34 o 75.54190 27.15311 195.3793       153.2601 68.00657       246.8698 275.2546       195.4951 70.00018 30.85686 86.08737 30.69927 -16.08720      43.52689 
1 1 1 22  20 35 o 129.7020 22.75589 575.0417       166.7879 434.2858       258.0797 675.9929       218.5627 102.0542 35.36183 135.7348 28.37083 -33.68068      45.33611 
1 1 1 22  20 36 o 90.07473 28.02484 303.4444       163.7629 48.43543       233.4413 550.5452       229.7932 66.96838 29.73875 117.5479 32.32812 -50.57956      43.92608 
1 1 1 22  21 0  o 331.9327 12.53040 3264.727       243.4923 3387.267       292.9795 2991.069       437.8270 337.4142 14.84182 313.3699 24.00567 24.04434       28.22325 
1 1 1 22  21 1  o 145.7314 16.09056 639.3878       135.2357 692.8603       145.0418 283.5691       374.1472 151.6541 16.57723 107.7215 41.65992 43.93259       44.83697 
1 1 1 22  21 2  o 252.9607 12.49496 1897.909       184.7960 1977.791       208.3974 1603.945       399.7726 257.9174 13.82775 225.9206 30.98783 31.99677       33.93306 
1 1 1 22  21 3  o 176.1791 13.89875 926.0170       142.4463 949.8186       152.9520 770.3926       391.1022 178.2497 14.76336 151.6955 42.35022 26.55420       44.84973 
1 1 1 22  21 4  o 166.7876 36.61039 909.5320       348.2696 143.1095       580.8868 1339.631       435.1527 114.3182 48.86268 202.6146 38.01619 -88.29640      61.90955 
1 1 1 22  21 5  o 268.9246 12.48216 2145.308       196.3291 2047.610       214.3757 2653.387       488.8748 262.3312 13.98451 292.2598 28.89980 -29.92859      32.10553 
1 1 1 22  21 6  o 113.9522 19.85366 400.6206       127.8629 437.7481       132.7551 -75.44728      475.3771 119.2879 19.66031 94.83940 42.25703 24.44850       46.60670 
1 1 1 22  21 7  o 176.8900 15.99810 939.9136       164.1748 939.9136       164.1748 0.000000       0.000000 176.8900 15.99810 ?        ?        0.000000       15.99810 
1 1 1 22  21 8  o 315.4053 13.65968 2958.650       252.0747 2958.650       252.0747 0.000000       0.000000 315.4053 13.65968 ?        ?        0.000000       13.65968 
1 1 1 22  21 9  o 248.2284 15.35513 1842.467       222.4458 1842.467       222.4458 0.000000       0.000000 248.2284 15.35513 ?        ?        0.000000       15.35513 
1 1 1 22  21 10 o 190.9509 16.02090 1095.564       177.7625 1095.564       177.7625 0.000000       0.000000 190.9509 16.02090 ?        ?        0.000000       16.02090 
1 1 1 22  21 11 o 277.9764 15.72967 2313.085       255.3891 2313.085       255.3891 0.000000       0.000000 277.9764 15.72967 ?        ?        0.000000       15.72967 
1 1 1 22  21 12 o 214.7547 16.89172 1388.763       211.0374 1388.763       211.0374 0.000000       0.000000 214.7547 16.89172 ?        ?        0.000000       16.89172 
1 1 1 22  21 13 o 95.89754 27.11339 292.9444       159.2458 292.9444       159.2458 0.000000       0.000000 95.89754 27.11339 ?        ?        0.000000       27.11339 
1 1 1 22  21 14 o 63.14894 25.98934 49.75912       155.0067 49.75912       155.0067 0.000000       0.000000 63.14894 25.98934 ?        ?        0.000000       25.98934 
1 1 1 22  21 15 o 95.73558 28.17565 292.9385       168.7780 292.9385       168.7780 0.000000       0.000000 95.73558 28.17565 ?        ?        0.000000       28.17565 
1 1 1 22  21 16 o 250.8521 12.82582 1876.760       188.0656 1636.418       212.1019 2760.532       406.7238 233.2476 15.59478 298.8922 23.38861 -65.64455      28.11093 
1 1 1 22  21 17 o 132.4763 22.16953 550.9574       166.1633 605.8744       182.1580 278.7986       405.5143 138.6462 23.22265 105.9768 42.61738 32.66943       48.53383 
1 1 1 22  21 18 o 45.57315 21.60211 -168.7893      154.6113 -91.17120      173.2168 -472.9898      342.9164 53.93875 24.62530 62.50241 30.28012 -8.563660      39.02936 
1 1 1 22  21 19 o 42.69770 20.63270 -229.9037      156.6756 -173.9681      183.4374 -380.7562      301.2450 50.59459 23.84567 59.82994 28.83644 -9.235352      37.41866 
1 1 1 22  21 20 o 217.4313 13.67740 1424.800       173.5283 1455.396       210.1056 1359.146       307.7820 218.4250 16.52411 205.2481 26.16290 13.17693       30.94420 
1 1 1 22  21 21 o 71.35923 27.24364 131.4650       158.5843 67.29311       195.0544 256.5966       272.3749 68.92832 28.82722 92.91838 35.64684 -23.99006      45.84436 
1 1 1 22  21 22 o 45.65548 21.67624 -165.7059      156.9080 -302.2986      202.3995 40.03519       248.4027 47.44691 23.05078 72.77906 31.53686 -25.33215      39.06292 
1 1 1 22  21 23 o 200.1990 14.41585 1220.281       168.1260 1055.460       227.6834 1417.913       249.3190 181.8972 21.77514 212.1915 20.28091 -30.29422      29.75689 
1 1 1 22  21 24 o 86.04878 26.38752 247.5433       145.8068 269.9556       210.1637 226.7447       202.4561 90.16524 31.86233 84.88076 31.10692 5.284477       44.52918 
1 1 1 22  21 25 o 103.4337 27.40402 368.8193       168.8701 437.4221       319.6553 342.2610       198.8895 108.0437 39.16391 98.57313 30.91721 9.470535       49.89675 
1 1 1 22  21 26 o 99.07015 24.44582 332.4071       141.1522 382.2846       218.0214 296.4136       185.2075 102.5688 32.39737 92.08105 29.93922 10.48773       44.11288 
1 1 1 22  21 27 o 166.5876 15.33463 859.5869       148.1389 1015.247       230.5859 750.1871       193.3093 175.7344 22.91861 151.0688 22.50444 24.66557       32.12028 
1 1 1 22  21 28 o 96.60828 23.84837 318.0097       134.2951 293.5552       219.0551 332.7357       169.9869 90.87612 32.48653 96.72853 28.22402 -5.852409      43.03452 
1 1 1 22  21 29 o 67.15119 25.35282 130.6952       136.4080 -115.0921      209.1826 312.5385       179.9263 55.91440 26.06508 93.05209 29.43624 -37.13770      39.31769 
1 1 1 22  21 30 o 79.00565 25.80525 214.7563       137.5121 88.10638       217.7173 298.8136       177.3691 70.03122 29.92324 90.70435 29.28354 -20.67313      41.86796 
1 1 1 22  21 31 o 139.6284 17.41001 622.9959       139.4796 419.0673       225.1612 749.9794       177.6757 103.6620 32.94593 151.0161 20.59737 -47.35411      38.85468 
1 1 1 22  21 32 o 65.35996 25.29923 121.3353       138.0709 210.0621       225.7975 68.34650       174.4952 80.41520 31.98127 63.42028 26.93305 16.99492       41.81137 
1 1 1 22  21 33 o 136.0321 21.86535 623.1335       168.5309 749.8489       275.6600 547.5005       212.9681 136.9076 34.38350 120.2804 30.22973 16.62715       45.78276 
1 1 1 22  21 34 o 178.2045 21.92579 1067.107       224.3273 619.4709       332.2155 1442.267       304.1344 115.8298 40.12138 202.1410 26.27554 -86.31118      47.95966 
1 1 1 22  21 35 o 221.0693 24.37201 1690.267       310.7499 1690.267       310.7499 0.000000       0.000000 221.0693 24.37201 ?        ?        0.000000       24.37201 
1 1 1 22  22 0  o 216.0181 12.91850 1387.818       162.9162 1373.161       179.8620 1454.788       384.4731 214.5120 14.37981 214.1451 31.55809 0.3669434      34.67985 
1 1 1 22  22 1  o 309.5122 12.17624 2840.346       220.5937 2827.367       257.2945 2876.356       428.5710 308.1716 14.27476 306.6879 24.01882 1.483704       27.94052 
1 1 1 22  22 2  o 225.2179 12.59612 1507.328       165.7129 1515.433       180.0354 1462.385       423.9597 225.5598 13.67384 212.7264 35.21315 12.83337       37.77486 
1 1 1 22  22 3  o 56.76688 22.21769 61.36721       107.4179 104.3859       111.3161 -520.7778      409.4912 63.74918 23.11081 70.51656 33.89336 -6.767380      41.02279 
1 1 1 22  22 4  o 344.4046 12.89194 3521.680       259.9385 3437.116       296.9265 3799.087       537.7918 339.5180 14.94864 351.0457 26.31309 -11.52768      30.26286 
1 1 1 22  22 5  o 62.15025 24.06398 79.91105       124.9450 77.15753       129.6302 115.9508       468.9790 62.51463 24.42456 103.3493 44.03128 -40.83467      50.35189 
1 1 1 22  22 6  o 202.8341 13.35279 1226.321       157.9579 1186.224       167.4911 1548.781       474.9774 199.2036 14.43444 216.4791 38.83861 -17.27556      41.43417 
1 1 1 22  22 7  o 190.8258 14.72187 1090.163       163.4866 1090.163       163.4866 0.000000       0.000000 190.8258 14.72187 ?        ?        0.000000       14.72187 
1 1 1 22  22 8  o 57.45062 23.43234 43.63702       124.5853 43.63702       124.5853 0.000000       0.000000 57.45062 23.43234 ?        ?        0.000000       23.43234 
1 1 1 22  22 9  o 66.15446 25.10721 100.7187       134.1888 100.7187       134.1888 0.000000       0.000000 66.15446 25.10721 ?        ?        0.000000       25.10721 
1 1 1 22  22 10 o 165.6933 15.71081 826.7919       150.8462 826.7919       150.8462 0.000000       0.000000 165.6933 15.71081 ?        ?        0.000000       15.71081 
1 1 1 22  22 11 o 173.4589 15.44180 905.0297       155.4483 905.0297       155.4483 0.000000       0.000000 173.4589 15.44180 ?        ?        0.000000       15.44180 
1 1 1 22  22 12 o 68.50701 25.85170 111.9075       141.7886 111.9075       141.7886 0.000000       0.000000 68.50701 25.85170 ?        ?        0.000000       25.85170 
1 1 1 22  22 13 o 98.59682 25.39902 311.1652       147.7693 311.1652       147.7693 0.000000       0.000000 98.59682 25.39902 ?        ?        0.000000       25.39902 
1 1 1 22  22 14 o 306.4683 12.85333 2798.415       230.5082 2798.415       230.5082 0.000000       0.000000 306.4683 12.85333 ?        ?        0.000000       12.85333 
1 1 1 22  22 15 o 191.0265 15.86696 1101.885       176.1583 1101.885       176.1583 0.000000       0.000000 191.0265 15.86696 ?        ?        0.000000       15.86696 
1 1 1 22  22 16 o 137.7868 18.46766 584.5240       145.4803 708.0013       158.7176 -64.47025      363.8749 151.9553 18.16949 81.65363 36.63314 70.30165       40.89153 
1 1 1 22  22 17 o 210.1939 13.43458 1326.157       164.7462 1295.813       181.0267 1472.459       397.4916 207.1792 15.00020 209.9952 33.39192 -2.816010      36.60637 
1 1 1 22  22 18 o 169.0008 15.56581 868.6630       152.5483 917.8439       172.6599 693.6765       325.6830 173.0699 17.23964 139.1141 38.57507 33.95576       42.25211 
1 1 1 22  22 19 o 115.8712 22.56521 432.0161       147.8270 413.7603       169.1828 490.9437       303.9595 111.8069 26.25245 117.2989 38.36922 -5.491982      46.49073 
1 1 1 22  22 20 o 158.3777 16.50697 771.5972       151.0770 798.3591       178.7001 704.5441       282.8631 159.7104 19.48100 140.9787 34.49770 18.73169       39.61818 
1 1 1 22  22 21 o 186.1927 14.50884 1055.127       157.1832 1007.463       196.3943 1140.066       262.1733 179.6536 18.92376 187.6536 24.39934 -8.000076      30.87777 
1 1 1 22  22 22 o 113.1931 24.01081 423.2900       154.4506 237.9693       197.5053 715.0289       247.8072 86.18801 30.84302 143.8114 30.33706 -57.62342      43.26233 
1 1 1 22  22 23 o 258.9284 11.65681 2015.291       176.5610 1876.297       233.2316 2201.870       270.2223 247.0353 16.18740 266.7701 17.36603 -19.73474      23.74049 
1 1 1 22  22 24 o 95.98306 25.32528 312.2890       144.6028 511.8288       204.3129 112.0196       204.6860 121.0569 29.13196 72.79938 29.90284 48.25748       41.74747 
1 1 1 22  22 25 o 85.22680 25.63117 246.5221       138.4854 120.8549       200.5427 361.0737       191.4681 72.77866 29.71227 100.6663 30.10673 -27.88764      42.29934 
1 1 1 22  22 26 o 210.9422 11.76838 1346.270       145.0125 1394.038       211.3433 1303.774       199.3401 211.0303 17.22601 204.3766 16.77839 6.653702       24.04682 
1 1 1 22  22 27 o 43.28397 20.11732 -84.62051      123.1573 -109.1045      189.2422 -66.63223      162.2079 53.52423 24.89727 51.85041 23.73166 1.673817       34.39572 
1 1 1 22  22 28 o 56.38473 23.37289 52.70542       126.5904 -29.53143      194.3731 113.2805       166.8207 59.06369 26.61286 67.88736 27.32239 -8.823673      38.14128 
1 1 1 22  22 29 o 96.12878 23.07259 315.9962       128.4206 214.1300       198.4187 389.4271       168.4639 80.49339 30.53471 104.3062 27.24574 -23.81279      40.92308 
1 1 1 22  22 30 o 56.18786 23.40750 52.98750       127.8677 246.3444       200.3357 -79.93281      166.1018 83.67336 30.89587 51.03622 23.59586 32.63713       38.87569 
1 1 1 22  22 31 o 85.45375 25.59095 258.9524       138.2687 79.48318       205.4223 407.6144       186.9617 67.56755 28.97257 104.5342 29.31643 -36.96665      41.21727 
1 1 1 22  22 32 o 55.07115 25.45249 -74.51936      193.0231 -129.0969      231.6628 49.39766       349.0720 57.21450 26.91352 76.67227 34.98639 -19.45778      44.14051 
1 1 1 22  22 33 o 161.8179 25.56165 919.7477       234.5399 775.4799       265.2988 1435.929       501.8244 140.8450 32.74089 166.4081 48.47637 -25.56313      58.49722 
1 1 1 22  22 34 f 75.70765 28.58475 193.9283       173.4079 131.4994       252.0340 250.0482       238.9597 74.39977 31.99980 83.49829 32.99810 -9.098518      45.96587 
1 1 1 22  23 0  o 134.8794 17.14339 552.7165       132.5506 541.7419       142.5298 622.9580       360.5862 133.0563 18.78717 136.0952 41.45090 -3.038879      45.50972 
1 1 1 22  23 1  o 87.33296 22.82346 240.3378       118.1766 284.2720       124.0227 -192.9962      389.5032 94.93165 22.60248 79.99914 36.67475 14.93251       43.08027 
1 1 1 22  23 2  o 314.6689 11.59462 2935.253       213.6080 2938.580       242.1337 2923.576       453.6230 314.3586 13.16259 307.8743 25.34729 6.484283       28.56114 
1 1 1 22  23 3  o 62.48725 23.20775 94.95058       113.3340 108.7266       117.9833 -69.58186      407.7411 65.17093 23.76823 87.68909 39.09919 -22.51817      45.75669 
1 1 1 22  23 4  o 374.9803 12.12641 4171.399       266.3299 4239.304       305.0602 3953.751       546.1520 377.3801 13.80666 357.5661 26.22638 19.81403       29.63861 
1 1 1 22  23 5  o 262.9067 11.85143 2051.768       182.2657 2043.350       196.9971 2101.823       480.3662 262.0855 12.85563 256.2890 32.70288 5.796509       35.13895 
1 1 1 22  23 6  o 330.9593 12.05965 3250.848       233.6863 3296.606       258.8688 3049.395       543.1702 332.8591 13.28747 310.9680 30.16142 21.89108       32.95858 
1 1 1 22  23 7  o 123.1006 18.68204 465.4521       130.6455 465.4830       135.6977 465.0602       483.2858 122.8723 19.47985 125.0301 47.60158 -2.157837      51.43321 
1 1 1 22  23 8  o 60.25932 23.53027 72.33923       120.2565 72.33923       120.2565 0.000000       0.000000 60.25932 23.53027 ?        ?        0.000000       23.53027 
1 1 1 22  23 9  o 206.0027 13.98991 1268.933       168.0173 1268.933       168.0173 0.000000       0.000000 206.0027 13.98991 ?        ?        0.000000       13.98991 
1 1 1 22  23 10 o 117.5875 20.01294 428.8857       133.0745 428.8857       133.0745 0.000000       0.000000 117.5875 20.01294 ?        ?        0.000000       20.01294 
1 1 1 22  23 11 o 205.7435 14.02803 1267.141       168.2549 1267.141       168.2549 0.000000       0.000000 205.7435 14.02803 ?        ?        0.000000       14.02803 
1 1 1 22  23 12 o 186.5035 37.05662 1169.990       391.0370 1169.990       391.0370 0.000000       0.000000 186.5035 37.05662 ?        ?        0.000000       37.05662 
1 1 1 22  23 13 o 262.4088 14.76905 2065.744       226.3731 2065.744       226.3731 0.000000       0.000000 262.4088 14.76905 ?        ?        0.000000       14.76905 
1 1 1 22  23 14 o 223.8140 30.63253 1623.663       391.5480 1623.663       391.5480 0.000000       0.000000 223.8140 30.63253 ?        ?        0.000000       30.63253 
1 1 1 22  23 15 o 245.5968 12.99385 1804.997       186.4932 1804.997       186.4932 0.000000       0.000000 245.5968 12.99385 ?        ?        0.000000       12.99385 
1 1 1 22  23 16 f 53.54521 22.30868 29.14780       116.1603 105.1059       123.3461 -566.3721      345.3715 64.51930 24.16184 59.71240 29.24766 4.806900       37.93705 
1 1 1 22  23 17 o 134.9672 17.17353 561.8307       132.8630 616.1998       143.9417 248.8636       345.3504 141.1965 17.77555 97.51510 39.28892 43.68137       43.12296 
1 1 1 22  23 18 o 44.05406 20.33422 -82.80907      122.6176 -2.116766      133.6121 -513.4673      308.6712 53.19878 23.09038 56.04213 27.49113 -2.843357      35.90164 
1 1 1 22  23 19 o 144.1607 16.36971 640.6291       135.9531 731.2065       153.8416 317.6785       290.4904 153.6681 17.37463 98.91458 37.07180 54.75351       40.94138 
1 1 1 22  23 20 o 67.50863 24.72515 128.1261       127.8766 252.6140       146.1329 -278.8142      264.2103 87.17892 26.35383 57.60657 27.56526 29.57235       38.13618 
1 1 1 22  23 21 o 47.96675 21.68278 -49.64257      130.2437 9.576578       156.0735 -185.4766      236.3754 57.68732 24.99761 57.56322 27.11112 0.1241035      36.87674 
1 1 1 22  23 22 o 98.05869 23.61905 319.9013       134.2065 432.7508       166.9796 113.9833       225.5593 113.3161 25.71700 75.31180 31.20712 38.00430       40.43821 
1 1 1 22  23 23 o 231.0739 11.42246 1606.990       154.3167 1535.363       203.0697 1704.885       237.4041 223.3970 15.59747 234.1303 17.41410 -10.73329      23.37803 
1 1 1 22  23 24 o 110.1829 21.47502 398.4633       133.7820 254.5621       176.9380 590.5289       204.4155 86.38725 29.30008 130.7263 27.53358 -44.33907      40.20687 
1 1 1 22  23 25 o 130.1211 17.81645 537.1537       132.3959 760.8835       186.9048 311.8307       187.5692 152.8307 21.44153 93.51742 30.10683 59.31326       36.96161 
1 1 1 22  23 26 f 52.64677 22.29395 28.84712       118.9843 292.2426       179.6864 -176.8324      158.7840 90.68610 29.48989 44.65665 21.36879 46.02946       36.41811 
1 1 1 22  23 27 o 191.2333 11.85889 1110.687       132.3476 1118.290       200.2638 1104.793       176.3451 187.4189 18.45891 188.0027 16.15004 -0.5837708     24.52662 
1 1 1 22  23 28 o 120.2550 17.73575 463.6623       121.3340 414.2037       193.9112 495.4865       155.5468 105.7717 29.92414 121.2833 22.70222 -15.51160      37.56122 
1 1 1 22  23 29 o 34.83030 17.09962 -215.3154      120.1818 -120.7273      190.7439 -277.5865      154.7659 52.45723 24.59510 39.05293 19.21860 13.40429       31.21335 
1 1 1 22  23 30 o 80.41443 24.09017 225.0381       122.5107 184.1257       184.9058 257.0509       163.5631 75.86510 29.30107 84.48878 28.16773 -8.623688      40.64448 
1 1 1 22  23 31 o 158.2653 14.83719 784.0929       136.1113 445.2037       191.3353 1131.291       193.6667 108.9668 29.30617 187.8417 17.79181 -78.87486      34.28411 
1 1 1 22  23 32 o 60.86106 24.84873 85.31871       140.2762 20.05659       186.8568 169.5938       212.3381 60.38978 26.72280 75.18243 30.61875 -14.79265      40.64008 
1 1 1 22  23 33 o 88.10455 31.28265 296.2143       202.7902 296.2143       202.7902 0.000000       0.000000 88.10455 31.28265 ?        ?        0.000000       31.28265 
1 1 1 22  24 0  o 103.2324 21.46787 334.5626       125.7319 327.0413       133.1571 396.4162       381.8568 101.7031 22.87982 115.3077 42.64107 -13.60458      48.39160 
1 1 1 22  24 1  o 325.5800 11.67157 3144.841       222.5022 3253.061       257.9809 2830.549       439.6416 330.5605 13.33455 302.6250 24.99364 27.93546       28.32829 
1 1 1 22  24 2  o 59.56389 22.89001 76.37080       112.4417 126.5497       116.9846 -532.3185      407.4423 67.70080 23.78477 69.44678 33.48771 -1.745979      41.07484 
1 1 1 22  24 3  o 52.38736 26.15158 -811.4807      327.9645 -1099.751      546.7249 -649.4371      409.9062 70.75994 35.06023 66.40427 32.38228 4.355667       47.72664 
1 1 1 22  24 4  o 125.9335 16.69087 482.7960       120.2414 481.1949       124.7988 503.5237       449.0422 125.5193 17.42219 126.2503 46.31739 -0.7310410     49.48569 
1 1 1 22  24 5  o 268.6726 12.06782 2145.106       189.6675 2228.557       203.8066 1605.494       518.2522 273.6553 12.73375 216.7676 42.28484 56.88770       44.16057 
1 1 1 22  24 6  o 257.3368 24.11563 2046.658       359.7175 2005.440       520.1678 2084.437       497.9912 246.5182 37.12986 253.3191 34.40866 -6.800980      50.62195 
1 1 1 22  24 7  o 129.9314 16.98146 514.4835       126.3079 511.8727       132.2101 541.7806       427.5058 129.3277 17.91125 128.2894 45.43314 1.038239       48.83630 
1 1 1 22  24 8  f 152.5789 14.96091 701.5981       132.1569 701.5981       132.1569 0.000000       0.000000 152.5789 14.96091 ?        ?        0.000000       14.96091 
1 1 1 22  24 9  o 125.6348 18.33843 485.2380       131.1389 485.2380       131.1389 0.000000       0.000000 125.6348 18.33843 ?        ?        0.000000       18.33843 
1 1 1 22  24 10 o 292.9048 12.35213 2554.441       211.7107 2554.441       211.7107 0.000000       0.000000 292.9048 12.35213 ?        ?        0.000000       12.35213 
1 1 1 22  24 11 o 145.5939 16.14539 643.8804       135.5466 643.8804       135.5466 0.000000       0.000000 145.5939 16.14539 ?        ?        0.000000       16.14539 
1 1 1 22  24 12 o 60.78625 22.73000 90.36781       109.0769 90.36781       109.0769 0.000000       0.000000 60.78625 22.73000 ?        ?        0.000000       22.73000 
1 1 1 22  24 13 o 64.12346 23.02920 111.7154       110.2156 111.7154       110.2156 0.000000       0.000000 64.12346 23.02920 ?        ?        0.000000       23.02920 
1 1 1 22  24 14 o 190.2184 13.10941 1086.627       145.3523 1086.627       145.3523 0.000000       0.000000 190.2184 13.10941 ?        ?        0.000000       13.10941 
1 1 1 22  24 15 o 133.3828 16.18753 545.6547       124.0395 545.6547       124.0395 0.000000       0.000000 133.3828 16.18753 ?        ?        0.000000       16.18753 
1 1 1 22  24 16 o 54.47927 21.31635 61.81014       98.85590 47.09649       103.9249 201.6983       320.4421 53.30017 21.52493 91.88266 37.54061 -38.58249      43.27378 
1 1 1 22  24 17 o 49.51588 20.91977 17.37681       104.3694 13.37720       110.6007 49.90064       315.3914 50.30259 21.40527 80.62478 35.22756 -30.32219      41.22095 
1 1 1 22  24 18 o 98.15395 20.35488 309.8122       113.3251 339.7474       122.1351 124.4854       303.8914 102.6404 20.99801 83.97212 35.59701 18.66827       41.32872 
1 1 1 22  24 19 o 119.6217 17.02842 446.6156       116.0937 415.7386       128.3031 586.0798       272.6783 114.1262 19.89178 126.6653 35.36177 -12.53906      40.57263 
1 1 1 22  24 20 o 90.99917 21.13952 270.3127       110.6581 311.1292       124.7736 119.9146       239.5113 97.27560 22.34230 77.25497 32.09771 20.02063       39.10807 
1 1 1 22  24 21 o 43.34415 19.78741 -57.20465      111.8235 -4.966934      129.7438 -208.0975      220.5103 51.67193 22.58540 53.94985 25.63792 -2.277924      34.16728 
1 1 1 22  24 22 o 193.2005 11.90877 1127.558       134.2796 1064.252       163.0089 1261.205       236.8479 186.0549 15.06777 198.8073 20.61233 -12.75241      25.53244 
1 1 1 22  24 23 o 232.3263 10.49316 1620.864       142.6044 1731.683       186.8390 1466.220       220.7135 238.3960 13.41759 216.4373 17.53799 21.95874       22.08195 
1 1 1 22  24 24 o 47.43421 20.61824 0.8460672      106.8540 100.4628       142.5111 -127.0720      161.4911 64.28892 25.45892 47.95472 22.53045 16.33420       33.99673 
1 1 1 22  24 25 o 99.02540 19.36740 319.6408       108.4470 301.6920       152.1352 338.1830       154.6297 92.79845 26.58894 98.32348 26.30235 -5.525024      37.40034 
1 1 1 22  24 26 o 48.38000 20.58811 18.98186       102.3258 35.01161       150.9075 5.339080       139.2191 58.04772 24.86027 53.50224 23.39027 4.545486       34.13411 
1 1 1 22  24 27 o 45.27051 20.02809 -13.19882      104.9046 -40.77330      155.5128 9.826488       142.1069 52.17858 23.62938 54.16832 23.65759 -1.989738      33.43695 
1 1 1 22  24 28 o 78.28732 22.80027 209.7798       111.0246 216.1364       164.7166 204.4874       150.2972 79.23063 28.18718 77.34258 26.97470 1.888046       39.01476 
1 1 1 22  24 29 o 42.31996 19.45816 -57.43874      110.7490 -198.4144      161.5044 67.69309       152.1585 43.57594 21.03026 60.74386 25.43652 -17.16792      33.00437 
1 1 1 22  24 30 o 151.7380 13.22007 711.8636       116.4731 653.7331       180.6209 753.2426       152.3897 138.5205 23.04243 153.4503 17.23047 -14.92975      28.77225 
1 1 1 22  24 31 o 65.85895 23.43987 140.1160       113.9167 -76.85427      176.1148 296.1980       149.3730 52.29336 24.21896 90.12691 26.50154 -37.83356      35.90111 
1 1 1 22  24 32 o 44.86432 19.94193 -13.65157      105.2219 9.443218       172.8125 -27.25792      132.6444 57.72906 25.61416 48.75817 21.97565 8.970894       33.74929 
1 1 1 22  24 33 o 48.18161 20.87815 13.05166       108.8682 -160.3255      174.5000 123.5431       139.3041 47.18573 22.53050 64.97036 25.33812 -17.78463      33.90639 
1 1 1 22  25 0  o 108.7103 20.22284 368.5966       124.1888 395.5458       132.0387 161.9522       365.6284 112.5445 20.76940 96.21095 39.78719 16.33353       44.88194 
1 1 1 22  25 1  o 96.79755 20.56007 294.2636       113.1109 328.0899       118.1641 -76.04967      390.9695 102.3742 20.39746 84.91382 38.04364 17.46040       43.16683 
1 1 1 22  25 2  o 181.3228 13.34733 983.3514       140.9428 1019.480       150.6154 728.8623       399.7391 184.4547 14.02809 144.4954 43.56689 39.95927       45.76965 
1 1 1 22  25 3  o 164.3251 13.96411 810.1945       133.3027 825.8488       139.4756 644.9954       453.0919 165.7730 14.49167 136.7584 46.87650 29.01462       49.06541 
1 1 1 22  25 4  o 198.4024 12.67932 1174.545       146.7623 1179.824       153.4939 1118.288       501.0752 198.6934 13.24784 175.8595 47.48161 22.83391       49.29512 
1 1 1 22  25 5  o 264.7666 11.99836 2085.236       185.8255 2022.193       199.2038 2507.859       515.7697 260.3748 13.08708 278.9727 32.10909 -18.59781      34.67370 
1 1 1 22  25 6  o 246.4357 11.95768 1807.397       172.3070 1780.618       185.2519 1979.165       469.1826 244.2808 12.97729 246.4462 33.31388 -2.165405      35.75227 
1 1 1 22  25 7  o 245.9358 21.80830 1862.539       311.2956 1421.932       418.3792 2408.981       465.9261 206.4914 35.84715 274.8871 29.35474 -68.39565      46.33269 
1 1 1 22  25 8  o 188.3130 13.68074 1063.343       150.0612 1063.343       150.0612 0.000000       0.000000 188.3130 13.68074 ?        ?        0.000000       13.68074 
1 1 1 22  25 9  o 104.6465 20.02879 343.5870       118.4461 343.5870       118.4461 0.000000       0.000000 104.6465 20.02879 ?        ?        0.000000       20.02879 
1 1 1 22  25 10 o 98.35753 19.30005 303.5412       107.3533 303.5412       107.3533 0.000000       0.000000 98.35753 19.30005 ?        ?        0.000000       19.30005 
1 1 1 22  25 11 o 137.3087 42.62336 681.0825       379.0521 681.0825       379.0521 0.000000       0.000000 137.3087 42.62336 ?        ?        0.000000       42.62336 
1 1 1 22  25 12 o 268.4274 11.55887 2149.341       181.5405 2149.341       181.5405 0.000000       0.000000 268.4274 11.55887 ?        ?        0.000000       11.55887 
1 1 1 22  25 13 o 115.7342 15.93120 411.9703       105.2677 411.9703       105.2677 0.000000       0.000000 115.7342 15.93120 ?        ?        0.000000       15.93120 
1 1 1 22  25 14 o 77.18407 21.55480 191.2370       101.2967 191.2370       101.2967 0.000000       0.000000 77.18407 21.55480 ?        ?        0.000000       21.55480 
1 1 1 22  25 15 o 144.0165 14.38724 631.7750       119.8932 631.7750       119.8932 0.000000       0.000000 144.0165 14.38724 ?        ?        0.000000       14.38724 
1 1 1 22  25 16 o 41.58870 18.57860 -29.61432      92.51501 -29.61432      92.51501 0.000000       0.000000 41.58870 18.57860 ?        ?        0.000000       18.57860 
1 1 1 22  25 17 o 76.97778 20.87839 192.0926       96.62037 164.3387       101.7994 444.2220       306.8283 71.69117 22.06043 110.4594 38.54044 -38.76824      44.40752 
1 1 1 22  25 18 o 169.7618 11.99354 869.3405       118.6406 897.4360       129.7357 725.8372       293.2055 172.1035 12.94839 140.7356 35.52560 31.36787       37.81176 
1 1 1 22  25 19 o 130.5692 13.94213 521.9357       105.1128 536.7356       115.3081 449.1713       255.6757 131.9238 15.17978 110.7288 35.09739 21.19498       38.23941 
1 1 1 22  25 20 o 106.3585 16.68374 355.4080       100.6472 381.8774       113.6585 259.2486       216.6333 109.6146 18.32653 88.60840 32.22330 21.00617       37.07025 
1 1 1 22  25 21 o 36.46308 17.02645 -75.15216      89.87172 -104.3221      99.84519 49.36519       206.2880 36.76735 17.40788 67.29784 28.94788 -30.53049      33.77889 
1 1 1 22  25 22 o 162.3093 11.78956 798.4416       111.4604 741.5193       135.2314 919.0349       196.8328 154.7993 15.08682 169.1377 20.24464 -14.33842      25.24792 
1 1 1 22  25 23 f 55.16001 20.68722 80.46838       90.49055 168.4758       109.2519 -111.8374      161.4973 71.66166 22.96831 48.83069 22.80898 22.83097       32.36962 
1 1 1 22  25 24 f 99.12598 16.82529 313.1236       94.32036 407.6445       121.3794 169.0527       149.8544 112.2057 19.13057 73.31183 26.77915 38.89389       32.91051 
1 1 1 22  25 25 f 62.52303 20.78087 123.9174       89.03854 178.5070       119.5658 55.95691       133.4073 73.24946 24.07048 57.64913 23.95387 15.60033       33.95845 
1 1 1 22  25 26 o 90.99470 17.14365 267.1208       88.13395 260.2214       124.3756 274.0792       124.9066 86.77243 23.75160 89.13383 23.54650 -2.361397      33.44512 
1 1 1 22  25 27 o 80.42860 19.53352 215.5467       91.20959 200.3296       126.3742 232.0923       131.7749 76.38505 24.72286 81.48186 25.10372 -5.096809      35.23374 
1 1 1 22  25 28 o 80.12080 19.85591 215.3061       92.82460 136.7213       135.5251 284.7495       127.3990 67.09351 25.28392 90.31432 23.74331 -23.22081      34.68460 
1 1 1 22  25 29 o 129.8121 12.97984 521.2924       97.49405 402.9269       147.0797 614.0639       130.2110 107.5080 23.94173 139.0136 16.27927 -31.50565      28.95205 
1 1 1 22  25 30 o 64.11624 21.06157 135.5310       91.54492 50.93008       143.7379 193.2663       118.7420 57.60359 24.45289 74.61888 23.94799 -17.01529      34.22646 
1 1 1 22  25 31 o 125.8930 13.80968 495.3253       100.2897 351.7469       161.4901 585.4640       127.9550 97.55614 27.20528 135.3071 16.46292 -37.75099      31.79866 
1 1 1 22  25 32 o 84.74023 20.31005 244.5131       99.62067 225.7728       168.2143 254.6364       123.6337 79.13512 28.44672 84.62557 23.87759 -5.490456      37.13967 
1 1 1 22  26 0  o 316.9356 12.78240 2994.607       237.1058 2994.607       237.1058 0.000000       0.000000 316.9356 12.78240 ?        ?        0.000000       12.78240 
1 1 1 22  26 1  o 233.8913 11.67635 1628.301       159.6600 1589.573       172.4817 1860.117       421.9932 230.7429 12.79582 240.2031 30.65295 -9.460159      33.21651 
1 1 1 22  26 2  o 233.8024 12.15198 1629.218       166.0556 1547.375       177.6734 2194.348       466.8804 227.4486 13.37860 260.6647 31.15658 -33.21606      33.90751 
1 1 1 22  26 3  o 158.4737 38.76376 868.6921       357.2520 1144.378       548.3028 665.3160       470.9377 173.8712 50.67761 136.9007 47.74871 36.97049       69.62873 
1 1 1 22  26 4  o 175.0070 36.52696 1039.467       362.7706 1091.829       546.7664 998.2896       484.8638 169.3727 50.92746 164.2061 47.59654 5.166611       69.70679 
1 1 1 22  26 5  o 269.1067 11.50977 2154.884       181.2331 2069.256       192.2675 2837.302       542.7798 263.3584 12.48379 295.5669 31.81280 -32.20856      34.17454 
1 1 1 22  26 6  o 137.0796 15.74459 571.4938       124.2816 609.2651       129.0490 88.42755       461.5056 141.5679 15.81290 98.16390 42.75687 43.40405       45.58726 
1 1 1 22  26 7  o 212.3311 12.17932 1346.485       151.0294 1408.816       160.2425 850.7123       451.9243 217.0542 12.64279 151.3708 46.46297 65.68340       48.15234 
1 1 1 22  26 8  o 89.00052 37.96003 101.0020       349.2454 101.0020       349.2454 0.000000       0.000000 89.00052 37.96003 ?        ?        0.000000       37.96003 
1 1 1 22  26 9  o 170.7952 12.90258 876.3130       128.2858 876.3130       128.2858 0.000000       0.000000 170.7952 12.90258 ?        ?        0.000000       12.90258 
1 1 1 22  26 10 o 156.7045 13.37734 740.6436       121.7679 740.6436       121.7679 0.000000       0.000000 156.7045 13.37734 ?        ?        0.000000       13.37734 
1 1 1 22  26 11 o 163.1915 40.44532 974.1499       385.1239 974.1499       385.1239 0.000000       0.000000 163.1915 40.44532 ?        ?        0.000000       40.44532 
1 1 1 22  26 12 o 166.2933 13.50792 836.0152       130.6053 836.0152       130.6053 0.000000       0.000000 166.2933 13.50792 ?        ?        0.000000       13.50792 
1 1 1 22  26 13 o 174.2280 12.25278 913.5846       124.4013 913.5846       124.4013 0.000000       0.000000 174.2280 12.25278 ?        ?        0.000000       12.25278 
1 1 1 22  26 14 o 136.5381 13.79701 567.6365       108.9673 567.6365       108.9673 0.000000       0.000000 136.5381 13.79701 ?        ?        0.000000       13.79701 
1 1 1 22  26 15 o 149.8978 13.17481 681.7571       114.6446 681.7571       114.6446 0.000000       0.000000 149.8978 13.17481 ?        ?        0.000000       13.17481 
1 1 1 22  26 16 o 32.95279 15.45498 -71.22758      75.41515 -42.08642      77.76962 -530.7595      308.8264 36.37216 16.56490 54.94118 27.05898 -18.56902      31.72671 
1 1 1 22  26 17 o 138.6463 12.51622 583.1904       100.6781 594.8776       107.2716 496.7918       291.6640 139.7634 13.24508 114.9871 37.58346 24.77626       39.84907 
1 1 1 22  26 18 o 97.49002 17.12473 300.4785       94.34070 386.7057       100.4041 -349.4445      275.6513 111.4261 15.80748 56.01003 27.13802 55.41611       31.40618 
1 1 1 22  26 19 o 182.1238 10.78186 997.1379       114.6471 1072.619       130.1694 736.0632       242.0883 188.4446 11.83790 145.3563 29.40923 43.08829       31.70234 
1 1 1 22  26 20 o 51.92105 19.37287 69.76533       79.14954 137.7532       87.21481 -247.6653      188.4512 65.57428 20.45952 46.73906 22.59604 18.83522       30.48234 
1 1 1 22  26 21 o 156.6536 10.78966 740.5305       98.52310 764.1567       114.2143 671.8282       194.7639 158.4416 12.38984 141.4465 24.35699 16.99509       27.32711 
1 1 1 22  26 22 o 97.41730 15.23908 298.2068       84.21411 273.6964       96.79025 374.5699       170.8434 91.82291 18.61144 102.7826 27.71392 -10.95972      33.38334 
1 1 1 22  26 23 o 100.8623 14.25408 317.2925       81.97032 359.9675       98.27497 219.7237       148.5976 106.6582 16.22124 80.23262 26.85018 26.42558       31.36974 
1 1 1 22  26 24 o 101.2576 13.25540 317.7624       76.82918 339.4027       97.56464 282.4382       124.6511 103.1693 16.69466 90.79535 23.29583 12.37392       28.66021 
1 1 1 22  26 25 o 149.3143 9.759759 671.9458       84.99711 766.1579       118.4937 572.0908       121.9907 157.9281 12.90583 134.8393 15.72079 23.08876       20.33970 
1 1 1 22  26 26 o 162.2381 9.675777 793.2243       91.64563 829.9306       126.0154 752.0139       133.5232 164.0913 13.20589 155.1616 14.85427 8.929749       19.87574 
1 1 1 22  26 27 o 64.22401 18.63944 135.9222       74.31643 165.6944       99.75685 98.79226       111.4036 70.14727 21.88045 59.70639 22.82448 10.44088       31.61820 
1 1 1 22  26 28 o 199.3244 8.462426 1190.093       98.69987 1057.365       142.0873 1313.859       137.2061 185.1015 13.17477 207.7616 11.30306 -22.66008      17.35897 
1 1 1 22  26 29 o 68.24993 17.77583 154.3545       71.84599 159.1850       108.7360 150.6116       95.71594 68.75050 22.96754 67.00704 21.50062 1.743462       31.46085 
1 1 1 22  26 30 o 38.98129 16.93788 -0.1606410     72.05750 -116.2024      116.0977 72.55160       91.90098 39.03063 18.56369 53.19558 20.62674 -14.16495      27.75019 
1 1 1 22  26 31 o 87.09040 15.07129 242.9714       74.19318 143.0036       121.1427 302.9747       93.85440 66.39322 24.10360 96.31724 17.24843 -29.92402      29.63937 
1 1 1 22  27 0  o 138.2876 17.82871 588.0333       141.2341 588.0333       141.2341 0.000000       0.000000 138.2876 17.82871 ?        ?        0.000000       17.82871 
1 1 1 22  27 1  f 131.0765 16.07075 524.6001       120.9592 565.8439       126.9473 118.0990       398.5426 136.1507 16.21674 94.35386 40.40471 41.79682       43.53761 
1 1 1 22  27 2  o 160.3711 13.54729 774.0927       126.2268 736.9304       132.3407 1148.647       420.1454 156.1155 14.62453 179.9514 40.75916 -23.83591      43.30342 
1 1 1 22  27 3  o 106.7833 18.97222 356.5975       114.4622 411.3785       118.8703 -341.1927      424.2487 115.1332 18.20935 75.94151 35.93391 39.19171       40.28432 
1 1 1 22  27 4  o 44.65897 19.63343 -18.94212      99.32348 -25.28413      102.2742 86.23405       416.4962 44.69281 19.77381 93.55146 40.68472 -48.85865      45.23550 
1 1 1 22  27 5  o 65.94893 21.88364 130.1237       98.74901 137.2722       101.1006 -18.20266      460.5273 67.41186 22.13295 91.68787 41.16738 -24.27602      46.73993 
1 1 1 22  27 6  o 170.7955 12.72744 876.4700       126.5711 879.3261       132.1536 844.7910       440.1269 170.8909 13.29031 148.8642 45.88133 22.02670       47.76744 
1 1 1 22  27 7  o 273.6808 11.14412 2233.838       178.4972 2237.089       194.5638 2216.558       448.5816 273.4435 12.16275 259.6283 30.01236 13.81525       32.38324 
1 1 1 22  27 8  o 97.15595 18.59101 297.6540       102.0731 297.6540       102.0731 0.000000       0.000000 97.15595 18.59101 ?        ?        0.000000       18.59101 
1 1 1 22  27 9  o 75.59467 20.18672 182.9622       91.18166 182.9622       91.18166 0.000000       0.000000 75.59467 20.18672 ?        ?        0.000000       20.18672 
1 1 1 22  27 10 o 93.25292 18.25937 275.1387       96.28637 275.1387       96.28637 0.000000       0.000000 93.25292 18.25937 ?        ?        0.000000       18.25937 
1 1 1 22  27 11 o 238.7431 12.82300 1716.890       178.8853 1716.890       178.8853 0.000000       0.000000 238.7431 12.82300 ?        ?        0.000000       12.82300 
1 1 1 22  27 12 o 148.7486 12.98192 670.3981       112.1174 670.3981       112.1174 0.000000       0.000000 148.7486 12.98192 ?        ?        0.000000       12.98192 
1 1 1 22  27 13 o 69.72998 20.11707 155.8796       86.80421 155.8796       86.80421 0.000000       0.000000 69.72998 20.11707 ?        ?        0.000000       20.11707 
1 1 1 22  27 14 o 46.19957 19.08868 26.19772       84.05965 26.19772       84.05965 0.000000       0.000000 46.19957 19.08868 ?        ?        0.000000       19.08868 
1 1 1 22  27 15 o 47.50058 18.96425 41.37161       79.69896 41.37161       79.69896 0.000000       0.000000 47.50058 18.96425 ?        ?        0.000000       18.96425 
1 1 1 22  27 16 o 215.4411 10.39330 1390.289       130.9331 1391.850       143.8070 1382.721       316.6018 215.0857 11.44151 203.0156 27.28077 12.07010       29.58291 
1 1 1 22  27 17 o 86.80019 17.23309 240.1440       84.63193 257.8617       88.77898 63.67904       280.1795 89.93476 17.46157 76.21587 33.25391 13.71889       37.55967 
1 1 1 22  27 18 o 37.94071 16.83157 -18.34428      74.59308 36.56133       78.43747 -537.6323      241.2234 46.31365 18.70131 45.29596 22.58271 1.017696       29.32094 
1 1 1 22  27 19 f 49.39540 18.56138 61.50536       72.92408 86.39294       79.82132 -64.12101      179.3362 54.95752 19.61441 54.94442 25.07375 0.1310349E-01  31.83423 
1 1 1 22  27 20 o 58.50659 18.93306 107.1730       74.11637 110.2604       80.46116 89.88036       190.4227 59.54308 19.75346 68.27285 28.51287 -8.729774      34.68693 
1 1 1 22  27 21 o 81.80241 15.45105 212.4214       71.41063 235.9684       79.01548 107.4555       166.8277 86.00410 16.26102 67.39288 27.25195 18.61123       31.73467 
1 1 1 22  27 22 o 62.74534 17.23507 127.5021       65.35902 180.9160       74.11160 -59.41385      138.6380 74.64902 17.27129 48.00964 21.96097 26.63938       27.93889 
1 1 1 22  27 23 o 169.3070 8.472030 857.2925       83.85537 792.7450       106.9316 960.3849       135.1388 161.5369 11.35957 176.8717 13.12125 -15.33485      17.35532 
1 1 1 22  27 24 o 64.57133 22.25574 132.9626       102.1742 -26.94522      299.5551 154.0155       108.6923 70.03683 32.12803 68.45758 22.96438 1.579254       39.49142 
1 1 1 22  27 25 o 90.76966 11.13563 252.8388       58.03923 343.8287       73.30226 99.94363       95.02059 105.6725 12.04248 58.29731 21.31948 47.37521       24.48553 
1 1 1 22  27 26 o 29.49052 12.84434 -4.418579      41.64238 36.05415       49.99460 -96.11679      75.25274 39.71779 15.26318 30.50640 14.62782 9.211386       21.14090 
1 1 1 22  27 27 o 213.1765 8.693785 1362.883       108.4642 1345.097       362.0623 1364.636       113.6854 184.6192 34.71310 213.0776 9.118466 -28.45836      35.89075 
1 1 1 22  27 28 o 150.7186 9.698507 686.9501       85.27287 425.8940       382.1014 700.6332       87.47910 97.83234 40.58520 152.1424 9.857061 -54.31006      41.76506 
1 1 1 22  27 29 o 109.3249 43.46137 614.7990       416.8379 614.7990       416.8379 0.000000       0.000000 109.3249 43.46137 ?        ?        0.000000       43.46137 
1 1 1 22  27 30 o 66.91922 32.49495 -282.3894      400.9160 -282.3894      400.9160 0.000000       0.000000 66.91922 32.49495 ?        ?        0.000000       32.49495 
1 1 1 22  28 0  o 95.48180 42.71756 38.92937       491.0493 38.92937       491.0493 0.000000       0.000000 95.48180 42.71756 ?        ?        0.000000       42.71756 
1 1 1 22  28 1  o 221.3719 24.40738 1560.794       311.6259 1350.454       493.9944 1699.825       401.6202 188.4417 45.26690 225.7864 31.15948 -37.34467      54.95457 
1 1 1 22  28 2  o 47.07619 23.68029 -816.0640      294.5815 -1506.862      474.8747 -383.9496      375.5804 55.65501 28.23365 68.31536 32.73650 -12.66035      43.22982 
1 1 1 22  28 3  o 61.50767 29.46735 -331.7081      303.9189 -301.0450      474.3129 -353.0665      395.8593 80.75780 38.14750 71.44919 34.06568 9.308609       51.14394 
1 1 1 22  28 4  o 112.3515 17.09178 392.2449       109.0750 351.8554       112.7672 978.9018       429.7743 105.6533 18.89262 159.4733 44.34769 -53.81995      48.20424 
1 1 1 22  28 5  o 202.8782 12.08636 1235.251       143.1557 1322.253       152.0300 554.6231       425.2281 209.7948 12.41164 122.2821 45.03681 87.51264       46.71577 
1 1 1 22  28 6  o 175.1500 11.67523 920.7769       119.2448 946.2582       125.0829 666.7649       394.9241 177.4196 12.09344 131.5308 43.76685 45.88878       45.40692 
1 1 1 22  28 7  o 98.51457 16.65216 303.2353       92.78509 321.1452       95.56515 8.773736       387.4960 101.4496 16.63823 84.67642 37.91049 16.77322       41.40091 
1 1 1 22  28 8  o 49.41072 19.44298 48.65516       82.64193 42.73198       84.40030 186.3825       406.9833 48.82882 19.50853 95.24805 40.80988 -46.41923      45.23305 
1 1 1 22  28 9  o 153.5165 13.15171 714.4788       117.2701 714.4788       117.2701 0.000000       0.000000 153.5165 13.15171 ?        ?        0.000000       13.15171 
1 1 1 22  28 10 o 156.3680 40.68579 938.1492       376.6305 938.1492       376.6305 0.000000       0.000000 156.3680 40.68579 ?        ?        0.000000       40.68579 
1 1 1 22  28 11 o 267.2112 11.27522 2141.453       176.3002 2141.453       176.3002 0.000000       0.000000 267.2112 11.27522 ?        ?        0.000000       11.27522 
1 1 1 22  28 12 o 190.6120 12.56766 1098.557       139.7093 1098.557       139.7093 0.000000       0.000000 190.6120 12.56766 ?        ?        0.000000       12.56766 
1 1 1 22  28 13 o 37.65872 16.92116 -29.85003      77.96644 -29.85003      77.96644 0.000000       0.000000 37.65872 16.92116 ?        ?        0.000000       16.92116 
1 1 1 22  28 14 o 86.59576 17.05503 238.3425       83.53297 238.3425       83.53297 0.000000       0.000000 86.59576 17.05503 ?        ?        0.000000       17.05503 
1 1 1 22  28 15 o 162.0196 11.74258 793.4279       110.8216 793.4279       110.8216 0.000000       0.000000 162.0196 11.74258 ?        ?        0.000000       11.74258 
1 1 1 22  28 16 o 166.3559 10.91198 833.7357       105.8737 885.3345       114.4291 526.8641       279.0580 171.2139 11.46187 116.9942 36.61138 54.21979       38.36362 
1 1 1 22  28 17 o 97.47672 14.10287 295.1874       78.28283 306.1590       82.51260 196.3292       247.6804 99.09711 14.63737 82.77663 33.29996 16.32049       36.37498 
1 1 1 22  28 18 o 148.0911 10.41478 661.1850       89.87761 648.6348       96.99042 737.4591       239.1071 146.2805 11.39540 144.2012 29.27410 2.079346       31.41382 
1 1 1 22  28 19 o 79.70461 14.04522 199.4062       63.25637 174.8740       67.38834 381.2491       183.4699 73.87407 16.01657 102.7622 29.11915 -28.88810      33.23335 
1 1 1 22  28 20 o 36.27739 14.96508 15.63988       51.55365 25.56614       54.41538 -71.35558      161.0932 38.85672 15.61647 51.14445 23.49800 -12.28773      28.21400 
1 1 1 22  28 21 o 145.8699 8.789017 637.5931       74.84060 657.8139       90.02787 592.3602       134.6497 147.5186 10.47402 136.5644 17.19207 10.95421       20.13138 
1 1 1 22  28 22 o 44.05101 19.05694 4.240840       90.40399 -373.6907      324.5302 36.03587       94.13000 59.20411 28.85831 48.77216 20.18024 10.43195       35.21426 
1 1 1 22  28 23 f 29.75402 14.30913 -99.05938      73.22317 -63.92662      313.7039 -101.0838      75.30325 69.35686 32.19139 30.20548 14.52231 39.15138       35.31548 
1 1 1 22  28 24 o 75.01846 33.45827 78.85030       298.7792 78.85030       298.7792 0.000000       0.000000 75.01846 33.45827 ?        ?        0.000000       33.45827 
1 1 1 22  28 25 o 99.74031 39.04488 427.4883       331.8038 427.4883       331.8038 0.000000       0.000000 99.74031 39.04488 ?        ?        0.000000       39.04488 
1 1 1 22  28 26 o 52.70928 26.41747 -714.8171      350.2680 -714.8171      350.2680 0.000000       0.000000 52.70928 26.41747 ?        ?        0.000000       26.41747 
1 1 1 22  28 27 o 118.3414 42.67966 700.4985       379.0160 700.4985       379.0160 0.000000       0.000000 118.3414 42.67966 ?        ?        0.000000       42.67966 
1 1 1 22  28 28 o 218.7992 33.35907 1871.965       414.5455 1871.965       414.5455 0.000000       0.000000 218.7992 33.35907 ?        ?        0.000000       33.35907 
1 1 1 22  28 29 o 77.50175 36.34937 16.66371       417.2086 16.66371       417.2086 0.000000       0.000000 77.50175 36.34937 ?        ?        0.000000       36.34937 
1 1 1 22  29 0  o 137.7463 37.27507 697.6624       308.3915 548.7388       467.0033 812.8248       410.6703 120.2970 46.53790 142.9393 44.36449 -22.64236      64.29607 
1 1 1 22  29 1  o 135.0318 15.52143 560.6268       120.6860 420.2888       456.0724 571.1937       125.1471 111.5312 45.07377 136.1288 15.97934 -24.59765      47.82242 
1 1 1 22  29 2  o 98.71582 20.60789 313.9149       115.4491 234.4658       436.9461 319.8776       119.7030 99.51164 42.45184 99.45248 21.17285 0.5916595E-01  47.43888 
1 1 1 22  29 3  o 75.73840 23.11909 184.9969       112.0893 470.9758       433.9849 164.5562       116.0260 114.1181 44.65970 72.34161 23.70820 41.77654       50.56251 
1 1 1 22  29 4  o 41.09897 19.00152 -75.12807      107.7158 -911.6559      432.6656 -19.85385      111.2176 60.19934 30.04912 46.79111 20.66497 13.40823       36.46904 
1 1 1 22  29 5  o 80.64618 23.20112 213.0203       115.6119 -598.4418      432.9400 275.3288       119.9685 66.95404 32.78456 91.57199 22.50199 -24.61795      39.76389 
1 1 1 22  29 6  o 113.0204 16.97659 399.4131       109.0529 -264.3784      428.4392 445.3982       112.7670 76.13055 36.04930 119.6517 16.50940 -43.52119      39.64988 
1 1 1 22  29 7  o 67.03956 21.86109 140.3309       98.70870 -213.5877      408.0490 162.3286       101.7301 75.92335 35.71561 71.20774 22.07742 4.715607       41.98830 
1 1 1 22  29 8  f 122.7592 13.92204 461.5826       98.46449 -59.79345      418.5318 492.1305       101.3080 82.65164 37.93748 126.8296 13.84441 -44.17792      40.38466 
1 1 1 22  29 9  o 280.2893 9.423683 2341.704       154.6891 2116.216       388.6563 2384.148       168.6203 252.6783 26.62675 282.4312 10.19671 -29.75293      28.51239 
1 1 1 22  29 10 o 168.2970 10.16269 848.6623       99.84058 1678.968       383.9165 788.4354       103.3982 220.7564 30.46459 161.9138 10.95323 58.84262       32.37383 
1 1 1 22  29 11 o 124.1810 12.13053 468.2427       87.22046 811.5523       379.2096 449.0662       89.62334 141.2619 42.39796 121.3604 12.78376 19.90146       44.28331 
1 1 1 22  29 12 o 92.69944 17.03779 272.5446       89.21540 0.000000       0.000000 272.5446       89.21540 ?        ?        92.69944 17.03779 0.000000       17.03779 
1 1 1 22  29 13 o 170.6548 10.23559 874.0552       101.9721 1094.859       388.8443 857.7487       105.6704 166.7166 40.23323 168.8606 10.72568 -2.144073      41.63836 
1 1 1 22  29 14 o 93.17968 15.31562 272.3848       80.79096 1192.869       355.4913 222.2528       82.96185 179.5832 35.01138 83.17404 17.55954 96.40912       39.16803 
1 1 1 22  29 15 o 48.15125 18.71645 51.67015       75.80904 -204.4280      327.7849 66.14269       77.92165 66.66078 31.55526 51.00954 19.18282 15.65124       36.92851 
1 1 1 22  29 16 o 46.20237 18.38044 41.77511       74.60521 96.20081       314.5221 38.53030       76.79697 79.61204 34.97090 46.11533 18.54572 33.49670       39.58419 
1 1 1 22  29 17 o 37.34354 16.50866 -14.32159      71.14542 -338.0371      308.8750 3.815479       73.11132 59.33268 28.74293 40.18174 17.25800 19.15094       33.52602 
1 1 1 22  29 18 o 52.21600 18.20532 80.03294       68.45642 -78.11264      320.6792 87.58387       70.07165 70.48096 32.65572 53.95454 18.43623 16.52642       37.50053 
1 1 1 22  29 19 o 54.77635 17.44911 94.10509       63.12926 -140.5444      308.2656 104.3767       64.49618 66.22188 31.11778 57.22858 17.55005 8.993294       35.72563 
1 1 1 22  29 20 o 73.94670 22.59410 184.6096       107.0226 -93.14249      309.8095 222.2459       114.0433 68.10334 31.73830 80.56908 23.00028 -12.46574      39.19608 
1 1 1 22  29 21 o 60.37527 29.27050 -320.8347      321.9090 -320.8347      321.9090 0.000000       0.000000 60.37527 29.27050 ?        ?        0.000000       29.27050 
1 1 1 22  29 22 o 101.1618 38.86648 434.4781       324.1258 434.4781       324.1258 0.000000       0.000000 101.1618 38.86648 ?        ?        0.000000       38.86648 
1 1 1 22  29 23 o 67.80589 31.81537 -98.99259      320.2011 -98.99259      320.2011 0.000000       0.000000 67.80589 31.81537 ?        ?        0.000000       31.81537 
1 1 1 22  29 24 o 73.08368 33.89827 -20.68051      346.9598 -20.68051      346.9598 0.000000       0.000000 73.08368 33.89827 ?        ?        0.000000       33.89827 
1 1 1 22  29 25 o 107.0876 41.17389 546.6583       363.9416 546.6583       363.9416 0.000000       0.000000 107.0876 41.17389 ?        ?        0.000000       41.17389 
1 1 1 22  29 26 o 102.6574 41.77610 509.1911       394.9218 509.1911       394.9218 0.000000       0.000000 102.6574 41.77610 ?        ?        0.000000       41.77610 
1 1 1 22  29 27 o 93.73179 40.75192 368.1328       417.6331 368.1328       417.6331 0.000000       0.000000 93.73179 40.75192 ?        ?        0.000000       40.75192 
1 1 1 22  29 28 o 81.41082 37.53055 124.7566       415.8495 124.7566       415.8495 0.000000       0.000000 81.41082 37.53055 ?        ?        0.000000       37.53055 
1 1 1 22  30 0  o 102.5573 36.65545 374.6069       278.8707 197.9722       428.3277 504.5713       367.4093 95.43769 41.38354 114.5720 41.91844 -19.13428      58.90461 
1 1 1 22  30 1  o 59.40519 23.35454 78.82013       119.1443 -47.83521      443.5031 88.67176       123.6913 84.88054 38.99454 61.31679 23.88664 23.56375       45.72905 
1 1 1 22  30 2  o 41.52153 19.28524 -83.47426      112.8875 -805.3364      425.1294 -28.71479      117.0910 61.07742 30.37371 47.02175 20.96030 14.05568       36.90388 
1 1 1 22  30 3  o 117.7968 18.26612 438.6618       122.1081 426.4492       414.3612 439.8232       127.7825 108.6812 43.29060 117.5277 19.20115 -8.846489      47.35779 
1 1 1 22  30 4  o 133.4825 15.67554 551.3896       120.3790 238.4438       376.1894 587.0900       127.0600 94.77235 39.86034 137.6187 16.04329 -42.84634      42.96782 
1 1 1 22  30 5  o 151.4638 14.14194 701.9601       124.1706 1122.561       442.2775 665.9708       129.3740 165.1207 44.62036 147.0169 15.22486 18.10379       47.14629 
1 1 1 22  30 6  o 48.21403 20.79351 4.711701       106.9766 -707.3618      425.2554 52.81706       110.5310 62.92001 31.13007 54.59126 22.14338 8.328754       38.20223 
1 1 1 22  30 7  o 72.53376 22.23337 170.8146       103.5263 45.07669       406.7948 179.5222       107.0510 85.59496 38.53955 74.17619 22.58388 11.41876       44.66910 
1 1 1 22  30 8  f 265.2290 20.03785 2225.275       309.3843 2529.670       442.8310 1935.017       432.4256 273.7836 27.97173 234.3274 32.32602 39.45621       42.74797 
1 1 1 22  30 9  o 138.1143 12.82442 581.0870       102.6922 677.8271       379.2225 573.4315       106.6781 127.8193 42.89476 136.9390 13.45666 -9.119720      44.95601 
1 1 1 22  30 10 o 71.42192 20.60134 166.3128       91.04166 13.24985       383.2412 175.4673       93.72466 81.74057 37.04762 73.22569 20.83356 8.514877       42.50368 
1 1 1 22  30 11 o 150.4423 12.65265 689.1112       110.6019 353.9669       403.7569 716.3002       115.0007 101.2680 41.83788 153.2843 12.91236 -52.01627      43.78512 
1 1 1 22  30 12 o 137.2307 13.77125 578.7324       109.3382 1187.585       400.5095 529.7018       113.6554 172.3858 40.33513 130.6293 15.11389 41.75655       43.07380 
1 1 1 22  30 13 o 103.5194 17.46174 341.9628       102.2453 0.000000       0.000000 341.9628       102.2453 ?        ?        103.5194 17.46174 0.000000       17.46174 
1 1 1 22  30 14 o 54.54826 20.72378 76.35119       91.48090 484.6480       333.7620 43.18616       95.12376 108.7975 39.92894 50.20264 20.47550 58.59488       44.87278 
1 1 1 22  30 15 f 51.03490 19.92538 59.51316       86.22175 -178.7361      323.9383 77.67888       89.44843 66.63239 31.49032 54.43500 20.53497 12.19739       37.59422 
1 1 1 22  30 16 o 234.8209 8.420953 1645.490       115.7830 1790.363       345.9727 1627.219       122.8676 228.7025 26.27058 233.2248 8.999699 -4.522324      27.76937 
1 1 1 22  30 17 o 28.36074 13.86331 -134.9823      76.43411 -306.8079      320.8557 -124.6448      78.69978 61.23010 29.57294 29.63760 14.39285 31.59250       32.88940 
1 1 1 22  30 18 o 65.90879 17.52941 141.8482       68.92930 246.3071       322.5217 136.8485       70.55958 88.08075 36.96823 64.71072 17.95938 23.37003       41.09975 
1 1 1 22  30 19 o 209.1936 10.12863 1319.827       123.8959 1133.068       324.4384 1351.712       134.0556 172.5676 33.26291 211.2788 10.85518 -38.71117      34.98937 
1 1 1 22  30 20 o 67.54449 31.54215 -89.58176      308.5182 -89.58176      308.5182 0.000000       0.000000 67.54449 31.54215 ?        ?        0.000000       31.54215 
1 1 1 22  30 21 o 71.94857 33.15485 -13.31211      324.0621 -13.31211      324.0621 0.000000       0.000000 71.94857 33.15485 ?        ?        0.000000       33.15485 
1 1 1 22  30 22 o 88.34864 37.08094 278.1340       324.4950 278.1340       324.4950 0.000000       0.000000 88.34864 37.08094 ?        ?        0.000000       37.08094 
1 1 1 22  30 23 f 79.94907 35.67395 136.0722       340.0749 136.0722       340.0749 0.000000       0.000000 79.94907 35.67395 ?        ?        0.000000       35.67395 
1 1 1 22  30 24 o 125.2091 43.18361 788.0316       384.6982 788.0316       384.6982 0.000000       0.000000 125.2091 43.18361 ?        ?        0.000000       43.18361 
1 1 1 22  30 25 o 75.95118 35.36267 16.65709       383.1878 16.65709       383.1878 0.000000       0.000000 75.95118 35.36267 ?        ?        0.000000       35.36267 
1 1 1 22  30 26 f 66.40802 32.44843 -345.0333      417.4928 -345.0333      417.4928 0.000000       0.000000 66.40802 32.44843 ?        ?        0.000000       32.44843 
1 1 1 22  31 0  o 185.3324 13.61316 1047.565       146.9333 547.2874       419.3720 1117.570       156.8772 115.6977 44.27063 191.1953 14.08943 -75.49756      46.45859 
1 1 1 22  31 1  o 55.22789 22.82584 46.17196       120.2448 579.5552       420.9810 -1.209431      125.4720 118.1185 44.55123 51.07087 22.26866 67.04759       49.80668 
1 1 1 22  31 2  o 37.32796 17.93659 -150.1417      114.5036 59.70768       421.5016 -166.8619      118.9779 86.78604 39.13919 37.39205 18.04695 49.39399       43.09952 
1 1 1 22  31 3  o 213.8851 11.28782 1377.463       141.0916 576.1730       422.4715 1478.053       149.6858 117.7760 44.58346 221.4334 11.56632 -103.6573      46.05936 
1 1 1 22  31 4  o 109.8675 20.47101 391.7621       127.0525 -23.25411      420.9211 433.3645       133.2684 82.98363 38.07349 115.7319 20.37871 -32.74830      43.18428 
1 1 1 22  31 5  o 68.19830 23.79143 143.2815       116.9213 0.2142907      386.7913 157.6691       122.6596 81.37257 37.01372 70.81729 24.38593 10.55527       44.32481 
1 1 1 22  31 6  o 93.82753 21.38242 290.6444       115.0328 -520.6839      396.7358 365.1133       120.1961 64.05655 31.36956 106.0880 20.05306 -42.03143      37.23136 
1 1 1 22  31 7  o 80.57839 21.95605 215.8704       106.5623 627.0828       397.0055 183.9437       110.6218 121.2920 43.68897 74.68820 22.99898 46.60382       49.37286 
1 1 1 22  31 8  o 51.77832 20.88652 49.97714       97.72832 -233.6254      382.8151 69.74872       101.0775 71.06766 33.77479 55.11370 21.55749 15.95395       40.06821 
1 1 1 22  31 9  o 198.2587 10.85536 1184.291       125.7381 1022.758       393.4439 1202.665       132.6969 156.8672 41.95211 199.5290 11.38705 -42.66176      43.47004 
1 1 1 22  31 10 o 90.84801 21.51952 275.2513       112.8813 -480.3464      390.8353 344.0176       117.9061 63.86171 31.24492 102.4081 20.34866 -38.54642      37.28690 
1 1 1 22  31 11 o 96.68381 20.67062 309.1731       113.6567 515.9450       389.9031 289.9717       118.8168 110.2657 42.55904 92.87759 22.12928 17.38811       47.96850 
1 1 1 22  31 12 o 101.5026 19.34092 336.0953       110.9319 1262.513       358.4764 237.9848       116.6581 182.8821 34.69140 83.68135 23.04185 99.20078       41.64637 
1 1 1 22  31 13 o 115.2971 16.29828 420.1622       107.1379 172.9526       315.2801 452.4359       113.9169 83.74619 35.90119 119.4975 16.71099 -35.75133      39.59991 
1 1 1 22  31 14 o 59.46088 21.45377 104.2469       95.78111 74.48590       302.5899 107.5609       100.9732 76.53848 33.93031 60.49603 21.99947 16.04246       40.43813 
1 1 1 22  31 15 o 112.9773 14.09717 397.4134       91.37895 418.3214       305.1638 395.3540       95.77358 101.7059 38.02139 112.3046 14.90908 -10.59869      40.84002 
1 1 1 22  31 16 o 35.57520 16.52790 -60.83699      83.00197 -400.7130      297.5596 -32.16035      86.43267 55.43897 27.15310 39.15690 17.68541 16.28207       32.40471 
1 1 1 22  31 17 f 67.63383 25.78679 135.8755       141.9553 535.8774       341.6017 52.38133       156.0692 109.9055 40.38522 59.86036 25.44821 50.04515       47.73444 
1 1 1 22  31 18 o 50.63873 25.41354 -730.2475      329.4428 -730.2475      329.4428 0.000000       0.000000 50.63873 25.41354 ?        ?        0.000000       25.41354 
1 1 1 22  31 19 o 61.76739 29.86249 -284.6633      329.2130 -284.6633      329.2130 0.000000       0.000000 61.76739 29.86249 ?        ?        0.000000       29.86249 
1 1 1 22  31 20 o 85.09413 36.81470 222.8493       337.4214 222.8493       337.4214 0.000000       0.000000 85.09413 36.81470 ?        ?        0.000000       36.81470 
1 1 1 22  31 21 o 83.79778 36.50453 206.3541       336.5008 206.3541       336.5008 0.000000       0.000000 83.79778 36.50453 ?        ?        0.000000       36.50453 
1 1 1 22  31 22 o 104.5046 40.21915 510.6261       347.4912 510.6261       347.4912 0.000000       0.000000 104.5046 40.21915 ?        ?        0.000000       40.21915 
1 1 1 22  31 23 o 83.14174 37.23821 186.3649       374.2769 186.3649       374.2769 0.000000       0.000000 83.14174 37.23821 ?        ?        0.000000       37.23821 
1 1 1 22  31 24 o 122.0766 44.99986 809.9891       424.6840 809.9891       424.6840 0.000000       0.000000 122.0766 44.99986 ?        ?        0.000000       44.99986 
1 1 1 22  31 25 o 66.61429 32.53952 -331.3428      418.9312 -331.3428      418.9312 0.000000       0.000000 66.61429 32.53952 ?        ?        0.000000       32.53952 
1 1 1 22  32 0  o 164.1820 14.19399 828.9916       135.3313 439.3157       393.4524 881.2792       144.1251 105.9315 42.18788 169.0424 14.68312 -63.11098      44.67002 
1 1 1 22  32 1  o 50.03400 21.85452 -1.349600      121.3019 248.6044       398.5127 -26.87291      127.3446 93.81590 40.29288 48.80791 21.80075 45.00799       45.81255 
1 1 1 22  32 2  o 59.02127 23.44205 78.44372       121.1631 -409.4188      414.1323 124.1128       126.7073 68.15723 33.07985 65.79347 24.51892 2.363754       41.17589 
1 1 1 22  32 3  o 184.2082 12.83080 1034.041       137.7494 590.5295       412.2775 1089.774       146.1484 116.6745 44.07020 188.8786 13.27813 -72.20408      46.02707 
1 1 1 22  32 4  o 49.11410 21.62640 -9.649456      120.9549 175.6177       409.2407 -27.38260      126.6113 90.00732 39.70043 48.57237 21.71374 41.43494       45.25053 
1 1 1 22  32 5  o 66.48141 23.66493 135.3900       116.1188 1018.450       422.2238 63.13531       120.7760 152.0866 44.51128 56.94489 23.12893 95.14169       50.16175 
1 1 1 22  32 6  o 73.01157 23.05443 176.5977       110.4126 -35.79524      423.0705 192.1212       114.3764 80.81605 37.46655 75.75802 23.39618 5.058029       44.17152 
1 1 1 22  32 7  o 87.14887 22.27544 256.3390       114.2696 -162.7212      391.2814 295.4118       119.4781 73.36278 34.65242 93.72025 22.09922 -20.35747      41.09946 
1 1 1 22  32 8  o 48.83733 20.86615 16.96994       105.8553 -900.5820      389.4596 90.16164       109.9963 54.29552 27.30062 58.90853 22.63933 -4.613014      35.46636 
1 1 1 22  32 9  o 55.63049 22.39126 64.51501       112.0492 239.2236       393.1084 49.06578       116.8984 91.34771 39.62767 54.43813 22.50333 36.90958       45.57140 
1 1 1 22  32 10 o 86.22611 23.79616 255.4615       124.2635 107.1019       403.9065 270.9720       130.5977 84.90396 38.29988 88.53709 24.37996 -3.633125      45.40114 
1 1 1 22  32 11 o 122.9550 18.92592 489.1092       132.1046 287.4820       373.2052 517.9913       141.2497 93.04253 39.44545 126.0927 19.74835 -33.05020      44.11282 
1 1 1 22  32 12 o 182.0089 36.45542 1299.289       375.5620 1299.289       375.5620 0.000000       0.000000 182.0089 36.45542 ?        ?        0.000000       36.45542 
1 1 1 22  32 13 o 101.4117 19.20558 337.2554       110.0453 554.6409       352.0277 313.7115       115.8514 111.9727 41.02127 96.76305 21.01745 15.20966       46.09206 
1 1 1 22  32 14 o 94.89788 20.18620 300.0697       108.8896 1005.785       348.1582 223.5532       114.6408 155.9066 38.34661 80.60966 23.07613 75.29697       44.75456 
1 1 1 22  32 15 o 34.49352 16.48281 -109.8256      93.77431 118.6071       323.0859 -130.8396      97.99269 79.20460 35.08908 34.17378 16.46477 45.03082       38.75993 
1 1 1 22  32 16 o 151.6860 11.07789 700.2868       97.86976 222.5922       327.1652 747.2359       102.5665 85.34411 36.57862 156.6281 11.24042 -71.28402      38.26673 
1 1 1 22  32 17 o 102.7207 38.89331 462.3658       321.5573 462.3658       321.5573 0.000000       0.000000 102.7207 38.89331 ?        ?        0.000000       38.89331 
1 1 1 22  32 18 o 67.34211 32.07216 -165.5166      348.9020 -165.5166      348.9020 0.000000       0.000000 67.34211 32.07216 ?        ?        0.000000       32.07216 
1 1 1 22  32 19 o 83.57735 36.96954 189.9023       357.3036 189.9023       357.3036 0.000000       0.000000 83.57735 36.96954 ?        ?        0.000000       36.96954 
1 1 1 22  32 20 o 73.16740 34.02573 -13.20275      353.0968 -13.20275      353.0968 0.000000       0.000000 73.16740 34.02573 ?        ?        0.000000       34.02573 
1 1 1 22  32 21 o 59.43045 29.32252 -465.9932      368.2102 -465.9932      368.2102 0.000000       0.000000 59.43045 29.32252 ?        ?        0.000000       29.32252 
1 1 1 22  32 22 o 81.25095 37.13586 134.7975       395.3582 134.7975       395.3582 0.000000       0.000000 81.25095 37.13586 ?        ?        0.000000       37.13586 
1 1 1 22  32 23 o 78.64497 36.63903 57.05785       412.3339 57.05785       412.3339 0.000000       0.000000 78.64497 36.63903 ?        ?        0.000000       36.63903 
1 1 1 22  32 24 o 110.3851 44.55742 689.9891       445.0920 689.9891       445.0920 0.000000       0.000000 110.3851 44.55742 ?        ?        0.000000       44.55742 
1 1 1 22  33 0  o 46.83258 21.39648 -55.82743      131.0781 365.7884       402.5665 -105.8279      138.6328 98.77683 41.36923 44.76150 20.98083 54.01533       46.38543 
1 1 1 22  33 1  o 290.0385 11.53282 2547.656       195.7830 2026.983       433.2656 2681.253       219.4680 235.0139 32.28726 296.6107 12.64537 -61.59680      34.67525 
1 1 1 22  33 2  o 179.6916 13.08545 989.6042       136.9557 1063.932       418.3058 980.6801       144.9444 154.0516 44.07330 178.3431 13.96921 -24.29153      46.23413 
1 1 1 22  33 3  o 84.46136 24.52132 246.5670       128.5994 810.3489       415.4205 186.8136       135.2427 131.3345 44.88919 74.86448 25.61201 56.47007       51.68186 
1 1 1 22  33 4  o 86.87842 23.77252 259.7705       124.6192 -61.06590      422.5056 290.3420       130.4214 78.78802 36.83176 91.74078 23.97742 -12.95277      43.94878 
1 1 1 22  33 5  o 93.30818 22.77603 296.5929       123.5288 -87.01823      420.1686 332.8875       129.2405 77.61558 36.42670 98.98822 22.74089 -21.37264      42.94243 
1 1 1 22  33 6  o 42.69979 19.63739 -61.06185      112.8901 -33.32755      390.7542 -63.58750      117.9184 77.58746 35.98270 43.56054 20.04661 34.02692       41.19006 
1 1 1 22  33 7  o 73.51421 24.60498 180.5462       124.7849 -522.6918      403.2754 255.0079       131.2251 63.05321 31.02827 85.64901 24.74201 -22.59580      39.68526 
1 1 1 22  33 8  o 42.03852 19.61342 -85.85310      118.8507 -98.75488      408.1718 -84.65788      124.2339 75.98263 35.73648 43.24007 20.13343 32.74256       41.01769 
1 1 1 22  33 9  o 138.4044 18.11810 615.1320       143.5385 511.9369       401.6370 630.2424       153.6885 107.1772 42.64394 139.3123 19.33071 -32.13506      46.82075 
1 1 1 22  33 10 o 103.9579 23.88494 373.4761       142.5596 1060.771       416.4187 282.2299       151.7280 151.6849 44.15089 88.83347 26.85353 62.85139       51.67604 
1 1 1 22  33 11 o 94.42076 23.98691 310.5419       133.0700 806.5427       365.9878 234.9823       142.8467 133.1310 41.96537 81.69291 26.27112 51.43810       49.51024 
1 1 1 22  33 12 o 92.30141 22.67108 293.2791       121.8191 756.4460       347.7924 228.5092       130.0582 129.5382 40.91888 80.76085 24.94984 48.77736       47.92546 
1 1 1 22  33 13 o 98.88099 21.86982 333.1670       123.4579 1065.580       372.4881 242.7797       130.8543 156.5483 40.32460 82.94386 24.90829 73.60445       47.39721 
1 1 1 22  33 14 o 81.94615 23.47507 234.2840       118.5990 548.9927       368.2875 197.8720       125.2722 108.4684 41.49113 75.60237 24.62582 32.86603       48.24878 
1 1 1 22  33 15 o 75.24364 19.53429 190.4196       86.95004 79.87696       365.7649 197.0407       89.51617 78.68465 35.86948 76.43731 19.80851 2.247337       40.97556 
1 1 1 22  33 16 o 68.25712 32.38223 -136.4208      348.8704 -136.4208      348.8704 0.000000       0.000000 68.25712 32.38223 ?        ?        0.000000       32.38223 
1 1 1 22  33 17 o 76.56174 34.89230 68.10989       345.8096 68.10989       345.8096 0.000000       0.000000 76.56174 34.89230 ?        ?        0.000000       34.89230 
1 1 1 22  33 18 o 73.33688 34.05989 -4.840928      352.0169 -4.840928      352.0169 0.000000       0.000000 73.33688 34.05989 ?        ?        0.000000       34.05989 
1 1 1 22  33 19 o 87.31792 38.64146 261.5753       390.7769 261.5753       390.7769 0.000000       0.000000 87.31792 38.64146 ?        ?        0.000000       38.64146 
1 1 1 22  33 20 o 100.9082 41.72173 501.3408       401.9437 501.3408       401.9437 0.000000       0.000000 100.9082 41.72173 ?        ?        0.000000       41.72173 
1 1 1 22  33 21 o 67.41118 32.86005 -305.5692      420.8921 -305.5692      420.8921 0.000000       0.000000 67.41118 32.86005 ?        ?        0.000000       32.86005 
1 1 1 22  33 22 o 71.38354 34.45573 -181.9127      433.9272 -181.9127      433.9272 0.000000       0.000000 71.38354 34.45573 ?        ?        0.000000       34.45573 
1 1 1 22  34 0  o 125.5640 20.68615 521.2674       147.0333 0.000000       0.000000 521.2674       147.0333 ?        ?        125.5640 20.68615 0.000000       20.68615 
1 1 1 22  34 1  o 48.28960 22.17117 -63.15221      143.0778 420.0689       444.0977 -119.1186      151.1365 100.8415 42.90111 46.06795 21.69136 54.77351       48.07308 
1 1 1 22  34 2  o 116.6395 21.37690 454.4947       140.8443 83.28896       449.8197 494.8433       148.3014 84.93423 39.11097 121.6875 21.56977 -36.75322      44.66456 
1 1 1 22  34 3  o 95.08230 24.55672 316.3964       137.8901 170.8091       451.4875 331.3734       144.8091 88.57769 40.17217 96.94514 25.22980 -8.367447      47.43781 
1 1 1 22  34 4  o 68.92142 25.38284 148.7422       135.0701 -101.3003      438.0489 175.0131       141.9885 77.32066 36.56477 72.93243 26.14524 4.388237       44.95060 
1 1 1 22  34 5  o 120.9723 19.85655 481.0528       135.9936 202.4791       394.2826 518.6685       144.8845 87.58311 38.78385 125.3290 20.41344 -37.74594      43.82802 
1 1 1 22  34 6  o 103.0265 22.74221 363.0513       133.7315 -160.8307      391.2177 432.3666       142.3038 71.86086 34.14938 113.0081 22.26350 -41.14722      40.76572 
1 1 1 22  34 7  o 62.67788 24.40865 106.7246       129.1220 -253.0435      391.2265 150.7045       136.7867 68.66748 33.03650 69.15254 25.53037 -0.4850616     41.75177 
1 1 1 22  34 8  o 106.4225 22.78337 388.2890       137.9104 454.9989       392.2121 378.8775       147.3177 101.7065 41.54075 103.9023 24.56529 -2.195747      48.26062 
1 1 1 22  34 9  o 92.23012 26.19713 306.4084       148.3179 171.0480       374.0991 331.6533       161.5577 84.24474 37.51453 95.19685 27.43871 -10.95211      46.47820 
1 1 1 22  34 10 o 201.3286 16.43014 1283.392       192.3126 0.000000       0.000000 1283.392       192.3126 ?        ?        201.3286 16.43014 0.000000       16.43014 
1 1 1 22  34 11 o 179.7115 14.58364 1008.457       152.3867 2015.773       403.5313 840.9146       164.5724 233.7557 30.13544 161.7764 17.63063 71.97929       34.91395 
1 1 1 22  34 12 o 117.5712 20.14103 460.3657       133.8847 645.3185       378.8841 433.9759       143.1179 114.6987 42.46405 112.4731 22.48329 2.225609       48.04887 
1 1 1 22  34 13 o 43.09343 19.83113 -57.08175      115.3864 152.2945       376.8707 -78.73878      121.2071 82.27505 37.06546 42.64051 19.86513 39.63454       42.05320 
1 1 1 22  34 14 o 34.25759 16.30679 -97.34769      89.95235 113.0213       355.0527 -111.7765      92.98603 79.17844 35.79501 34.02032 16.29880 45.15813       39.33108 
1 1 1 22  34 15 o 54.03750 23.39563 26.16849       136.4700 203.7325       373.8371 -1.132442      146.5864 84.41696 37.55178 53.10480 23.57495 31.31216       44.33863 
1 1 1 22  34 16 o 104.9509 41.07914 535.1736       367.2377 535.1736       367.2377 0.000000       0.000000 104.9509 41.07914 ?        ?        0.000000       41.07914 
1 1 1 22  34 17 o 80.84153 36.81382 139.2947       383.9880 139.2947       383.9880 0.000000       0.000000 80.84153 36.81382 ?        ?        0.000000       36.81382 
1 1 1 22  34 18 o 93.97022 40.85749 391.5369       419.8405 391.5369       419.8405 0.000000       0.000000 93.97022 40.85749 ?        ?        0.000000       40.85749 
1 1 1 22  34 19 o 80.93272 37.22415 128.6257       405.7763 128.6257       405.7763 0.000000       0.000000 80.93272 37.22415 ?        ?        0.000000       37.22415 
1 1 1 22  34 20 f 102.0061 43.58667 559.8892       461.9572 559.8892       461.9572 0.000000       0.000000 102.0061 43.58667 ?        ?        0.000000       43.58667 
1 1 1 22  35 0  o 60.56744 25.27445 71.49942       149.4453 0.000000       0.000000 71.49942       149.4453 ?        ?        60.56744 25.27445 0.000000       25.27445 
1 1 1 22  35 1  o 79.60339 37.36162 -8.318823      442.1151 -8.318823      442.1151 0.000000       0.000000 79.60339 37.36162 ?        ?        0.000000       37.36162 
1 1 1 22  35 2  o 43.55925 20.63888 -125.2119      140.8471 37.32032       437.6259 -143.9929      148.7623 81.03516 37.75037 43.94761 20.93370 37.08754       43.16608 
1 1 1 22  35 3  o 47.29404 21.89418 -74.61622      143.6965 -1105.668      431.6094 53.91623       152.3902 53.75263 27.23032 59.16433 25.14918 -5.411705      37.06712 
1 1 1 22  35 4  o 87.24708 26.37536 275.3640       146.3699 533.3410       420.0334 239.7073       156.1581 105.3764 43.00811 81.65755 27.52654 23.71883       51.06279 
1 1 1 22  35 5  o 114.5176 22.97083 451.4927       148.9043 -132.5219      425.2032 533.1257       158.9709 74.14749 35.33921 125.0417 22.50512 -50.89423      41.89677 
1 1 1 22  35 6  o 148.6225 18.05747 714.6409       154.1696 280.5142       417.1720 783.3096       165.9152 90.47943 39.98826 155.2460 18.59213 -64.76656      44.09907 
1 1 1 22  35 7  o 131.3770 20.43549 574.4892       152.3373 604.8119       397.4624 569.2678       164.9325 110.5581 42.88874 129.1238 22.60257 -18.56573      48.48010 
1 1 1 22  35 8  o 189.9732 14.60923 1128.688       161.5193 901.2326       386.9392 1176.684       177.7457 136.1673 43.17889 192.9439 15.84743 -56.77661      45.99519 
1 1 1 22  35 9  o 132.2843 22.52238 598.3281       168.4772 670.0959       378.1750 580.5573       188.1835 116.0219 42.51537 127.2340 26.09537 -11.21208      49.88512 
1 1 1 22  35 10 o 117.3548 23.78102 481.5015       158.0615 870.9608       361.4032 389.3861       175.7628 135.8851 41.51972 101.6576 28.39419 34.22747       50.30027 
1 1 1 22  35 11 o 219.6498 11.87605 1477.742       152.4176 1865.762       356.9702 1391.231       168.5545 227.7612 27.26513 211.6674 13.65079 16.09378       30.49150 
1 1 1 22  35 12 o 129.0229 18.00972 542.5061       132.5694 282.5409       373.7826 579.9127       141.7867 88.43216 38.49920 132.9558 18.69952 -44.52361      42.80024 
1 1 1 22  35 13 f 50.93470 21.79064 28.16817       115.7154 114.8978       384.9920 19.55491       121.3254 80.09599 36.62231 50.93950 22.05682 29.15649       42.75157 
1 1 1 22  35 14 o 66.11571 26.18408 127.4542       150.7545 79.05454       432.0991 134.1621       160.8625 80.33857 37.45436 67.61229 26.95947 12.72628       46.14804 
1 1 1 22  35 15 o 104.2184 42.90631 572.4688       422.6651 572.4688       422.6651 0.000000       0.000000 104.2184 42.90631 ?        ?        0.000000       42.90631 
1 1 1 22  35 16 o 73.14208 35.12423 -130.0097      437.5571 -130.0097      437.5571 0.000000       0.000000 73.14208 35.12423 ?        ?        0.000000       35.12423 
1 1 1 22  35 17 o 129.7575 47.32516 992.4474       467.7538 992.4474       467.7538 0.000000       0.000000 129.7575 47.32516 ?        ?        0.000000       47.32516 
1 1 1 22  35 18 o 64.97330 32.17886 -499.3308      458.6714 -499.3308      458.6714 0.000000       0.000000 64.97330 32.17886 ?        ?        0.000000       32.17886 
1 1 1 22  36 0  o 159.6035 26.94969 918.6729       243.2859 1337.222       398.9916 670.9572       306.9496 174.6983 39.82994 122.0740 38.42537 52.62421       55.34377 
1 1 1 22  36 1  o 58.93466 27.51568 -89.83742      234.5769 472.4701       394.0416 -398.5063      291.9453 100.0744 41.33682 53.79624 26.45864 46.27820       49.07945 
1 1 1 22  36 2  o 136.0581 23.13183 638.9877       177.9794 0.000000       0.000000 638.9877       177.9794 ?        ?        136.0581 23.13183 0.000000       23.13183 
1 1 1 22  36 3  o 47.31318 22.26757 -111.2239      158.9509 0.8006062      450.7866 -127.1298      169.8609 78.95569 37.26388 48.18543 22.78153 30.77026       43.67602 
1 1 1 22  36 4  o 76.42969 27.57256 206.1231       158.2010 620.3113       441.3728 145.0677       169.4605 108.0183 44.08680 69.60767 27.69837 38.41058       52.06579 
1 1 1 22  36 5  o 85.25710 27.36707 269.3722       155.0633 201.4346       412.7408 280.5370       167.3204 85.14931 38.53428 86.39765 28.47857 -1.248337      47.91575 
1 1 1 22  36 6  o 122.5177 22.46220 516.5523       155.4532 767.2657       415.6756 475.7863       167.6158 119.7707 44.45273 115.0001 25.51923 4.770622       51.25697 
1 1 1 22  36 7  o 56.29151 24.57963 26.46044       153.3290 -217.2917      412.7651 65.47961       165.1459 69.63634 33.61057 61.22502 26.10802 8.411327       42.55936 
1 1 1 22  36 8  o 116.1239 22.62437 466.4869       148.5399 404.5848       383.1251 477.4378       161.1440 95.38174 40.17768 116.0479 24.44989 -20.66614      47.03236 
1 1 1 22  36 9  o 58.79842 24.70678 65.56827       144.3163 383.4745       379.8036 11.92293       156.0183 93.95634 39.81099 55.36958 24.46367 38.58677       46.72672 
1 1 1 22  36 10 o 96.02509 24.95467 333.8096       141.8029 800.0128       386.2270 261.1751       152.4496 124.4112 43.25089 83.90407 27.15372 40.50710       51.06822 
1 1 1 22  36 11 o 59.18541 24.38867 78.94998       136.7265 392.9750       368.3402 28.76696       147.2466 93.88482 39.46198 55.47228 24.15671 38.41254       46.26872 
1 1 1 22  36 12 o 129.3922 19.89190 560.7493       146.1250 951.6309       389.0764 496.5608       157.6671 136.7136 43.29131 118.8281 23.45710 17.88545       49.23793 
1 1 1 22  36 13 o 71.93108 26.11027 179.1122       142.1460 233.5685       393.2822 170.9293       152.4522 84.84073 38.07212 71.19337 26.81917 13.64735       46.56989 
1 1 1 22  36 14 o 83.35367 38.74837 157.7888       457.2565 157.7888       457.2565 0.000000       0.000000 83.35367 38.74837 ?        ?        0.000000       38.74837 
1 1 1 22  36 15 o 115.2787 46.59895 818.8190       487.5842 818.8190       487.5842 0.000000       0.000000 115.2787 46.59895 ?        ?        0.000000       46.59895 
1 1 1 22  36 16 o 65.33128 32.32581 -469.8793      458.9056 -469.8793      458.9056 0.000000       0.000000 65.33128 32.32581 ?        ?        0.000000       32.32581 
1 1 1 22  37 0  o 61.28300 26.10692 69.66102       164.8448 -293.4337      384.1747 151.5990       182.4994 64.82975 31.55519 70.66978 28.52964 -5.840027      42.54023 
1 1 1 22  37 1  f 50.57596 23.41614 -68.59642      164.4378 380.4730       385.1577 -168.6959      181.8435 93.01821 39.77393 47.70548 22.83849 45.31273       45.86461 
1 1 1 22  37 2  o 57.78110 25.31048 30.90344       163.7217 450.3994       428.2802 -40.89180      177.1789 96.87427 41.69066 54.22232 24.81176 42.65195       48.51530 
1 1 1 22  37 3  f 125.8413 23.10844 551.7927       164.2641 49.67565       423.1057 640.9064       178.2456 78.50061 36.74949 135.7073 23.23053 -57.20670      43.47622 
1 1 1 22  37 4  o 63.98912 27.39388 79.26593       183.1003 0.000000       0.000000 79.26593       183.1003 ?        ?        63.98912 27.39388 0.000000       27.39388 
1 1 1 22  37 5  o 69.37429 27.60155 147.8006       168.2545 431.5993       432.8375 97.28317       182.6165 95.59787 41.52588 65.46912 27.66650 30.12875       49.89823 
1 1 1 22  37 6  o 158.4134 17.65654 816.2538       161.2542 214.5219       420.2803 920.1277       174.6187 84.74229 38.56065 167.9438 18.00963 -83.20154      42.55903 
1 1 1 22  37 7  o 87.13469 24.06859 273.8833       127.0610 725.6131       394.7552 221.6741       134.2029 115.9913 43.26751 78.14700 25.49078 37.84425       50.21809 
1 1 1 22  37 8  o 196.5183 33.80575 1557.542       375.5753 1357.379       402.7260 2893.671       1040.499 172.2993 40.53610 150.5110 64.87994 21.78828       76.50217 
1 1 1 22  37 9  o 165.6964 16.93258 887.1461       162.2349 1617.731       408.3103 750.1838       176.7890 194.9101 37.07387 148.8940 20.81332 46.01610       42.51665 
1 1 1 22  37 10 o 65.98445 26.48401 126.4158       156.2845 -25.30436      372.4637 158.8358       172.1744 72.35492 34.06359 70.52824 27.96625 1.826675       44.07312 
1 1 1 22  37 11 o 48.28434 22.65865 -98.07049      162.5049 471.2762       370.5172 -233.6756      180.8248 97.96252 40.23470 44.50259 21.65839 53.45993       45.69373 
1 1 1 22  37 12 o 57.75592 25.70113 16.25648       175.2752 -100.6917      406.7166 42.92977       194.2377 71.69120 34.27662 61.86430 27.31629 9.826904       43.82997 
1 1 1 22  37 13 o 89.34252 40.38761 326.8824       451.9272 326.8824       451.9272 0.000000       0.000000 89.34252 40.38761 ?        ?        0.000000       40.38761 
1 1 1 22  37 14 o 96.26978 41.96365 483.6621       445.2575 483.6621       445.2575 0.000000       0.000000 96.26978 41.96365 ?        ?        0.000000       41.96365 
1 1 1 22  38 0  o 43.18073 20.81761 -174.9719      157.2541 -434.9695      330.9976 -99.18039      178.7107 55.85357 27.60290 50.49808 23.71778 5.355495       36.39304 
1 1 1 22  38 1  o 41.55393 20.06607 -173.9788      147.5573 -326.4516      353.8659 -141.8872      162.3448 60.76325 29.72929 45.69520 21.79468 15.06805       36.86243 
1 1 1 22  38 2  o 63.46863 25.75904 110.4131       149.6733 604.4341       372.9405 15.56506       163.4109 106.6416 41.49567 56.06311 24.88952 50.57854       48.38780 
1 1 1 22  38 3  o 49.05135 22.79156 -71.93032      157.9079 -29.43454      379.3531 -80.83672      173.6688 72.16810 34.09777 50.86198 23.72309 21.30612       41.53844 
1 1 1 22  38 4  o 57.87524 25.54737 28.19726       169.7763 245.0127       383.8640 -24.52874      189.2974 84.17847 37.70662 56.45525 25.76225 27.72322       45.66708 
1 1 1 22  38 5  o 72.74451 27.63481 183.8856       162.6619 -459.7473      368.1467 340.0177       181.3210 58.61200 28.99246 92.60272 29.58016 -33.99073      41.41919 
1 1 1 22  38 6  o 49.58228 23.05522 -73.72092      162.0447 0.000000       0.000000 -73.72092      162.0447 ?        ?        49.58228 23.05522 0.000000       23.05522 
1 1 1 22  38 7  o 92.99450 23.30197 309.7927       126.8149 869.2877       413.9088 251.8314       133.2218 124.1139 44.62151 82.68159 25.19767 41.43233       51.24453 
1 1 1 22  38 8  o 47.86793 21.84445 -38.66552      136.1176 -1.860169      405.9881 -43.32674      144.4800 74.67307 35.27925 48.89401 22.38559 25.77906       41.78205 
1 1 1 22  38 9  o 57.88586 25.48872 31.22443       168.0140 314.3737       382.5142 -36.46161      187.0206 87.66951 38.53630 55.38483 25.39893 32.28468       46.15357 
1 1 1 22  38 10 o 51.09240 23.84397 -80.77602      175.8417 -4.295916      395.1093 -99.66544      196.3597 73.69186 34.81197 52.83330 24.82929 20.85856       42.75941 
1 1 1 22  39 0  o 94.16136 27.35046 341.6405       159.9511 -513.5965      383.1357 522.1613       176.0245 58.23656 28.93979 118.6785 26.00973 -60.44194      38.91038 
1 1 1 22  39 1  o 69.73281 27.51545 159.8044       165.9173 33.90212       391.3992 187.3849       183.1912 74.58363 35.05219 73.42983 28.93143 1.153801       45.44980 
1 1 1 22  39 2  o 76.54486 27.48373 217.3195       156.9670 239.5008       381.8882 212.8103       172.1842 83.10323 37.38592 76.05910 28.53396 7.044128       47.03078 
1 1 1 22  39 3  o 42.69243 20.71888 -201.6894      162.3698 -9.159341      419.3167 -235.6501      176.1089 74.39705 35.35458 43.45519 21.19862 30.94186       41.22291 
1 1 1 22  39 4  f 47.48734 22.46531 -115.5194      165.6564 159.8357       409.1024 -169.5229      181.1742 80.17358 37.05433 47.09623 22.61260 33.07735       43.40913 
1 1 1 22  39 5  o 54.38643 24.48358 -4.090788      164.0975 -0.6049948     380.4901 -4.887306      181.8823 72.59238 34.25294 56.55235 25.58769 16.04003       42.75505 
1 1 1 22  39 6  o 68.42559 26.57522 155.0839       152.7393 159.9745       332.7289 153.7782       171.9243 77.27354 34.81840 69.23341 27.78118 8.040138       44.54340 
1 1 1 23  0  0  o 224.2733 32.62518 1592.420       402.6606 1592.420       402.6606 1592.420       402.6606 224.2733 32.62518 224.2733 32.62518 0.000000       0.000000 
1 1 1 23  0  1  o 255.2058 26.89245 1998.016       391.3018 1998.016       391.3018 1998.016       391.3018 255.2058 26.89245 255.2058 26.89245 0.000000       0.000000 
1 1 1 23  0  2  o 273.0840 26.51908 2276.773       414.9085 2276.773       414.9085 2276.773       414.9085 273.0840 26.51908 273.0840 26.51908 0.000000       0.000000 
1 1 1 23  0  3  o 204.6315 34.77061 1353.819       381.1312 1353.819       381.1312 1353.819       381.1312 204.6315 34.77061 204.6315 34.77061 0.000000       0.000000 
1 1 1 23  0  4  o 135.0823 49.90889 739.4539       366.3097 739.4539       366.3097 739.4539       366.3097 135.0823 49.90889 135.0823 49.90889 0.000000       0.000000 
1 1 1 23  0  5  o 54.49530 37.20015 -206.1576      370.3418 -206.1576      370.3418 -206.1576      370.3418 54.49530 37.20015 54.49530 37.20015 0.000000       0.000000 
1 1 1 23  0  6  o 46.55169 32.81488 -398.4718      355.3355 -398.4718      355.3355 -398.4718      355.3355 46.55169 32.81488 46.55169 32.81488 0.000000       0.000000 
1 1 1 23  0  7  o 365.4258 22.77490 4003.406       483.7017 4003.406       483.7017 4003.406       483.7017 365.4258 22.77490 365.4258 22.77490 0.000000       0.000000 
1 1 1 23  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  9  f 101.4147 53.36702 468.6217       421.0146 468.6217       421.0146 468.6217       421.0146 101.4147 53.36702 101.4147 53.36702 0.000000       0.000000 
1 1 1 23  0  10 o 361.6089 25.20175 3942.150       528.3987 3942.150       528.3987 3942.150       528.3987 361.6089 25.20175 361.6089 25.20175 0.000000       0.000000 
1 1 1 23  0  11 o 430.8996 23.63711 5559.449       593.2023 5559.449       593.2023 5559.449       593.2023 430.8996 23.63711 430.8996 23.63711 0.000000       0.000000 
1 1 1 23  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  14 o 65.69305 41.75830 56.68382       351.5495 56.68382       351.5495 56.68382       351.5495 65.69305 41.75830 65.69305 41.75830 0.000000       0.000000 
1 1 1 23  0  15 o 52.44419 36.33166 -299.5663      385.0563 -299.5663      385.0563 -299.5663      385.0563 52.44419 36.33166 52.44419 36.33166 0.000000       0.000000 
1 1 1 23  0  16 o 318.1393 24.54015 3057.614       451.4417 3057.614       451.4417 3057.614       451.4417 318.1393 24.54015 318.1393 24.54015 0.000000       0.000000 
1 1 1 23  0  17 o 216.1579 37.77744 1524.538       435.1643 1524.538       435.1643 1524.538       435.1643 216.1579 37.77744 216.1579 37.77744 0.000000       0.000000 
1 1 1 23  0  18 f 53.88793 37.20698 -282.9347      395.4988 -282.9347      395.4988 -282.9347      395.4988 53.88793 37.20698 53.88793 37.20698 0.000000       0.000000 
1 1 1 23  0  19 f 227.4737 27.07909 1605.869       347.7697 1605.869       347.7697 1605.869       347.7697 227.4737 27.07909 227.4737 27.07909 0.000000       0.000000 
1 1 1 23  0  20 o 301.9785 21.28913 2744.349       372.6532 2744.349       372.6532 2744.349       372.6532 301.9785 21.28913 301.9785 21.28913 0.000000       0.000000 
1 1 1 23  0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  0  22 o 369.5406 19.09519 4080.679       411.3076 4080.679       411.3076 4080.679       411.3076 369.5406 19.09519 369.5406 19.09519 0.000000       0.000000 
1 1 1 23  0  23 o 369.6006 19.71115 4089.955       424.4695 4089.955       424.4695 4089.955       424.4695 369.6006 19.71115 369.6006 19.71115 0.000000       0.000000 
1 1 1 23  0  24 o 205.7503 30.94266 1358.357       348.4662 1358.357       348.4662 1358.357       348.4662 205.7503 30.94266 205.7503 30.94266 0.000000       0.000000 
1 1 1 23  0  25 o 415.2209 18.38207 5147.659       445.6330 5147.659       445.6330 5147.659       445.6330 415.2209 18.38207 415.2209 18.38207 0.000000       0.000000 
1 1 1 23  0  26 o 205.5569 36.95637 1409.109       402.7393 1409.109       402.7393 1409.109       402.7393 205.5569 36.95637 205.5569 36.95637 0.000000       0.000000 
1 1 1 23  0  27 o 98.65771 49.36180 466.9746       348.9329 466.9746       348.9329 466.9746       348.9329 98.65771 49.36180 98.65771 49.36180 0.000000       0.000000 
1 1 1 23  0  28 o 54.10370 35.96986 -49.11470      305.3803 -49.11470      305.3803 -49.11470      305.3803 54.10370 35.96986 54.10370 35.96986 0.000000       0.000000 
1 1 1 23  0  29 o 148.9005 41.33473 834.9427       312.2174 834.9427       312.2174 834.9427       312.2174 148.9005 41.33473 148.9005 41.33473 0.000000       0.000000 
1 1 1 23  0  30 o 54.71938 35.57543 21.04347       274.2462 21.04347       274.2462 21.04347       274.2462 54.71938 35.57543 54.71938 35.57543 0.000000       0.000000 
1 1 1 23  0  31 o 196.7151 24.62170 1234.838       272.0310 1234.838       272.0310 1234.838       272.0310 196.7151 24.62170 196.7151 24.62170 0.000000       0.000000 
1 1 1 23  0  32 o 47.11469 31.95600 -93.20386      264.2733 -93.20386      264.2733 -93.20386      264.2733 47.11469 31.95600 47.11469 31.95600 0.000000       0.000000 
1 1 1 23  0  33 o 40.53595 28.22907 -182.0675      240.5515 -182.0675      240.5515 -182.0675      240.5515 40.53595 28.22907 40.53595 28.22907 0.000000       0.000000 
1 1 1 23  0  34 o 40.13382 27.78339 -145.6164      224.1535 -145.6164      224.1535 -145.6164      224.1535 40.13382 27.78339 40.13382 27.78339 0.000000       0.000000 
1 1 1 23  0  35 o 39.74195 27.73170 -181.1598      235.3608 -181.1598      235.3608 -181.1598      235.3608 39.74195 27.73170 39.74195 27.73170 0.000000       0.000000 
1 1 1 23  0  36 o 241.4920 18.89821 1806.951       263.7787 1806.951       263.7787 1806.951       263.7787 241.4920 18.89821 241.4920 18.89821 0.000000       0.000000 
1 1 1 23  0  37 o 55.49598 35.45260 81.46346       257.2021 81.46346       257.2021 81.46346       257.2021 55.49598 35.45260 55.49598 35.45260 0.000000       0.000000 
1 1 1 23  0  38 o 228.3192 20.29405 1639.195       266.5781 1639.195       266.5781 1639.195       266.5781 228.3192 20.29405 228.3192 20.29405 0.000000       0.000000 
1 1 1 23  0  39 o 46.71199 31.84077 -81.76263      269.2189 -81.76263      269.2189 -81.76263      269.2189 46.71199 31.84077 46.71199 31.84077 0.000000       0.000000 
1 1 1 23  0  40 o 93.37994 44.03643 459.1278       272.0639 459.1278       272.0639 459.1278       272.0639 93.37994 44.03643 93.37994 44.03643 0.000000       0.000000 
1 1 1 23  0  41 f 72.84920 41.58050 291.6386       278.8772 291.6386       278.8772 291.6386       278.8772 72.84920 41.58050 72.84920 41.58050 0.000000       0.000000 
1 1 1 23  1  0  o 120.6541 33.41747 459.2625       244.5721 598.1840       337.3419 305.3345       355.0950 136.9380 39.70337 109.8340 41.02338 27.10399       57.09005 
1 1 1 23  1  1  o 135.8371 33.28781 585.7180       263.0821 239.1445       363.3826 967.4672       381.3779 105.1520 40.94790 173.6459 38.46321 -68.49397      56.17962 
1 1 1 23  1  2  o 419.6956 15.59028 5221.481       383.0746 5364.778       529.3128 5063.879       555.1058 423.4308 21.38394 410.6516 23.14264 12.77917       31.50959 
1 1 1 23  1  3  f 199.5871 22.87687 1206.900       262.9469 1340.884       376.0668 1078.744       367.7972 207.5742 31.91185 184.6004 35.25768 22.97383       47.55492 
1 1 1 23  1  4  o 229.8718 21.10569 1589.826       281.3620 1904.215       392.3127 1256.846       403.7455 249.7782 27.22098 199.3160 35.85772 50.46213       45.01952 
1 1 1 23  1  5  o 160.2704 28.08472 798.0720       254.3648 786.6131       335.8733 813.4828       389.5091 156.4790 37.15601 158.1623 41.48532 -1.683350      55.69202 
1 1 1 23  1  6  o 53.72408 25.96346 -381.5204      248.2412 -674.6378      345.4875 -68.67638      356.9238 58.83515 28.90623 83.98251 37.05814 -25.14737      46.99868 
1 1 1 23  1  7  o 399.7639 15.48527 4740.717       362.3687 4639.538       497.6980 4854.865       528.6335 393.3170 21.65971 402.0109 22.51151 -8.693909      31.23957 
1 1 1 23  1  8  o 349.8560 16.46043 3638.503       336.7919 3417.782       458.9561 3896.044       495.7619 336.7314 23.38535 359.5118 23.64433 -22.78043      33.25550 
1 1 1 23  1  9  o 331.3104 17.29549 3269.062       334.8976 3390.178       466.9877 3140.815       480.5362 335.0924 23.91970 321.7669 25.67732 13.32550       35.09241 
1 1 1 23  1  10 o 313.2065 17.96069 2926.411       328.5333 2687.109       454.3311 3188.680       475.6332 297.1722 26.34092 324.3799 25.19911 -27.20767      36.45325 
1 1 1 23  1  11 o 362.7378 23.92284 3970.945       506.0864 3970.945       506.0864 0.000000       0.000000 362.7378 23.92284 ?        ?        0.000000       23.92284 
1 1 1 23  1  12 o 312.7733 27.20972 2981.365       494.1569 2981.365       494.1569 0.000000       0.000000 312.7733 27.20972 ?        ?        0.000000       27.20972 
1 1 1 23  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  1  14 o 93.44494 39.98324 32.95908       389.6969 32.95908       389.6969 0.000000       0.000000 93.44494 39.98324 ?        ?        0.000000       39.98324 
1 1 1 23  1  15 o 82.09689 37.54139 -224.1313      404.7075 -224.1313      404.7075 0.000000       0.000000 82.09689 37.54139 ?        ?        0.000000       37.54139 
1 1 1 23  1  16 o 311.5538 17.70413 2893.283       322.1565 3579.091       473.2419 2301.001       439.7910 344.5587 23.56084 274.4115 27.70614 70.14716       36.36954 
1 1 1 23  1  17 o 64.69075 30.28678 -263.5182      287.4678 -45.22217      407.4161 -479.9482      405.6711 90.93544 39.87758 72.37558 34.50121 18.55986       52.73096 
1 1 1 23  1  18 o 248.1700 19.54067 1848.195       282.1134 2074.198       417.2828 1657.930       382.8718 260.0959 27.78549 231.8727 28.77179 28.22314       39.99811 
1 1 1 23  1  19 o 69.89466 30.34069 -18.00530      230.7502 27.42622       336.0744 -58.52482      317.3869 86.75857 37.12664 79.24842 34.95830 7.510147       50.99480 
1 1 1 23  1  20 o 70.40335 31.21072 -64.13187      256.0310 276.0896       375.2517 -360.4590      350.2092 107.7876 41.71166 69.18699 32.71102 38.60064       53.00824 
1 1 1 23  1  21 o 390.2565 13.12314 4514.521       299.9302 4771.627       435.0998 4281.727       414.0160 399.0692 18.64198 377.9431 18.73684 21.12610       26.43090 
1 1 1 23  1  22 o 210.4532 28.14500 1381.999       338.6812 1381.999       338.6812 0.000000       0.000000 210.4532 28.14500 ?        ?        0.000000       28.14500 
1 1 1 23  1  23 o 86.23830 32.77360 180.2810       228.8358 332.4521       321.3856 23.79787       325.9073 107.7409 39.23825 84.39454 36.34456 23.34637       53.48428 
1 1 1 23  1  24 o 393.4805 12.72133 4595.368       293.1806 4466.145       401.5888 4742.840       429.0079 385.6887 17.80193 397.1284 18.47034 -11.43973      25.65272 
1 1 1 23  1  25 o 101.0710 34.48711 311.9464       245.1787 326.3891       406.0034 303.6563       307.5989 111.4758 43.31866 103.6542 38.28189 7.821663       57.81011 
1 1 1 23  1  26 o 320.9850 15.64374 3088.552       293.6068 3324.784       439.3465 2897.912       394.6809 329.0402 22.91020 307.6295 22.02165 21.41074       31.77783 
1 1 1 23  1  27 o 56.49709 26.86185 -265.7050      242.6720 -278.9480      337.2382 -251.4841      349.4684 69.13664 32.50619 71.76766 33.53268 -2.631020      46.70217 
1 1 1 23  1  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  1  29 o 73.42954 30.33469 88.89040       212.2370 -87.06979      295.6322 276.0293       304.8783 71.56648 32.47695 97.43302 37.62632 -25.86654      49.70404 
1 1 1 23  1  30 o 284.5061 13.66709 2440.436       227.3768 2208.401       321.5939 2672.372       321.5249 265.8784 20.78923 294.2737 18.72716 -28.39520      27.98033 
1 1 1 23  1  31 o 67.23703 28.08797 66.02798       184.8648 17.53268       272.4502 107.4051       251.6620 73.91227 32.50486 78.11596 32.71209 -4.203690      46.11558 
1 1 1 23  1  32 o 54.48346 24.92095 -81.50735      178.4978 -133.7135      259.3552 -34.52455      246.0388 63.34693 29.35640 67.19324 30.13614 -3.846313      42.07119 
1 1 1 23  1  33 o 47.88518 22.66998 -160.8135      169.2699 -289.6444      258.2841 -63.82301      224.1053 55.88607 26.87587 62.09249 28.21655 -6.206421      38.96775 
1 1 1 23  1  34 o 65.32088 26.44114 91.42575       157.2299 120.5081       225.9273 64.11194       218.9502 75.09895 31.18570 69.81741 29.92381 5.281540       43.22017 
1 1 1 23  1  35 o 63.31945 26.24554 72.06767       159.6033 281.7303       227.0835 -132.6095      224.3674 90.21417 32.96326 57.58812 26.89465 32.62605       42.54290 
1 1 1 23  1  36 o 63.77338 27.07006 59.17600       176.1315 -154.3645      256.2812 250.3170       242.4675 60.32523 28.35510 86.74821 33.54016 -26.42299      43.91986 
1 1 1 23  1  37 o 213.0211 14.75928 1404.404       183.2503 1211.002       262.7896 1587.464       255.6673 189.7113 24.16701 221.9691 19.84882 -32.25777      31.27332 
1 1 1 23  1  38 o 58.05104 25.92641 -10.54514      180.0502 -14.75403      266.2675 -6.999324      244.3951 67.83503 30.79870 66.04446 29.79236 1.790565       42.85026 
1 1 1 23  1  39 o 75.50477 29.33689 178.9880       186.1940 82.99093       252.1030 294.1942       276.1766 72.10770 31.50100 89.65881 35.46158 -17.55111      47.43244 
1 1 1 23  1  40 o 59.48961 27.73784 -99.56683      237.1029 -114.5146      290.6704 -69.84321      409.8860 64.60385 30.31289 75.98001 35.75895 -11.37616      46.87829 
1 1 1 23  1  41 o 164.6979 24.59423 939.3958       230.2916 744.8461       301.9879 1209.760       355.9994 132.3897 37.30513 172.6953 36.30373 -40.30565      52.05414 
1 1 1 23  2  0  o 198.2776 22.25450 1188.912       254.3252 1208.553       356.2337 1168.495       363.2079 196.9124 31.94025 193.0868 33.27499 3.825577       46.12380 
1 1 1 23  2  1  o 173.8972 24.87636 925.1159       246.4861 1008.289       342.7915 836.0734       354.6804 178.8268 33.92572 161.3185 38.10083 17.50832       51.01595 
1 1 1 23  2  2  o 250.9116 19.04066 1882.857       278.0986 2105.341       373.6334 1606.503       416.4177 263.8052 24.42708 227.5190 32.09844 36.28619       40.33599 
1 1 1 23  2  3  o 82.95936 33.37437 110.0089       248.7959 -42.70449      331.8169 306.1140       376.0143 82.46639 36.08043 111.3026 42.07707 -28.83624      55.42813 
1 1 1 23  2  4  o 100.0067 34.77832 282.6573       249.7399 402.1989       321.4657 100.6761       396.6325 116.4097 39.49339 98.44672 41.13514 17.96297       57.02480 
1 1 1 23  2  5  o 501.8746 15.67926 7468.249       460.9333 7522.726       632.9061 7406.719       672.6215 501.2496 21.58009 496.5885 23.15908 4.661133       31.65507 
1 1 1 23  2  6  o 96.99662 35.23059 248.3659       258.8466 60.56647       336.3531 521.1244       405.3568 89.37870 37.64702 130.7565 44.34830 -41.37785      58.17276 
1 1 1 23  2  7  o 358.6092 16.58789 3822.980       347.9245 3681.433       468.1182 3997.674       520.0477 349.7289 22.94986 363.8497 24.51393 -14.12082      33.58018 
1 1 1 23  2  8  o 202.4085 24.18106 1247.458       281.3763 1117.775       375.0505 1414.434       425.5730 187.6231 35.38134 211.5429 35.56292 -23.91974      50.16533 
1 1 1 23  2  9  f 401.7949 23.94368 4868.040       561.6577 0.000000       0.000000 4868.040       561.6577 ?        ?        401.7949 23.94368 0.000000       23.94368 
1 1 1 23  2  10 o 271.4968 28.19943 2258.015       442.4764 2258.015       442.4764 0.000000       0.000000 271.4968 28.19943 ?        ?        0.000000       28.19943 
1 1 1 23  2  11 f 248.1804 30.81779 1906.103       438.9258 1906.103       438.9258 0.000000       0.000000 248.1804 30.81779 ?        ?        0.000000       30.81779 
1 1 1 23  2  12 o 417.4633 23.93686 5254.043       583.5951 5254.043       583.5951 0.000000       0.000000 417.4633 23.93686 ?        ?        0.000000       23.93686 
1 1 1 23  2  13 o 180.3547 44.53102 1072.691       468.1667 1072.691       468.1667 0.000000       0.000000 180.3547 44.53102 ?        ?        0.000000       44.53102 
1 1 1 23  2  14 o 199.5126 37.72363 1271.792       425.2351 1271.792       425.2351 0.000000       0.000000 199.5126 37.72363 ?        ?        0.000000       37.72363 
1 1 1 23  2  15 o 88.11378 35.48660 127.4585       281.6148 226.1045       427.3374 51.73214       374.4162 109.2217 43.80891 92.96810 39.46558 16.25359       58.96399 
1 1 1 23  2  16 o 295.5721 18.65398 2609.776       321.7100 2234.593       460.5157 2967.405       449.6136 269.6086 29.61141 313.1616 24.67984 -43.55301      38.54776 
1 1 1 23  2  17 o 100.6804 37.26408 260.5154       291.7373 543.0831       440.4103 39.57472       389.4341 133.6512 46.19989 93.72585 40.03315 39.92539       61.13169 
1 1 1 23  2  18 o 224.0833 21.27369 1515.597       276.2288 1705.446       374.7243 1289.664       408.7877 235.6270 27.64161 201.2938 35.94626 34.33327       45.34525 
1 1 1 23  2  19 o 209.5043 20.04425 1323.641       243.2827 1751.567       375.7302 1014.720       319.2386 238.6829 27.33382 179.4438 31.48202 59.23912       41.69239 
1 1 1 23  2  20 o 388.1514 13.21720 4463.211       300.4396 4503.226       442.7404 4429.058       409.0305 387.5771 19.54087 384.9334 18.16967 2.643738       26.68300 
1 1 1 23  2  21 o 157.3789 27.64748 777.2128       245.8762 550.1152       339.5448 1027.583       356.5187 130.1803 40.32954 178.3411 35.33603 -48.16080      53.62002 
1 1 1 23  2  22 o 225.4326 17.69018 1527.738       232.0112 1639.998       329.0699 1416.775       327.1652 231.0308 24.66787 213.7353 26.67936 17.29550       36.33582 
1 1 1 23  2  23 o 231.1662 17.42007 1606.667       234.4323 1480.391       316.2578 1760.681       349.2697 218.9657 25.07916 238.8997 25.31310 -19.93399      35.63309 
1 1 1 23  2  24 o 71.42708 30.58474 16.33524       228.3309 299.9810       328.1095 -250.0128      317.9475 104.9574 39.38612 68.71798 32.06715 36.23943       50.78946 
1 1 1 23  2  25 o 127.9864 30.21849 531.3149       223.1654 507.5854       342.5215 548.8183       294.1740 124.2991 40.73466 128.4542 37.02592 -4.155106      55.04754 
1 1 1 23  2  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  2  27 o 293.7181 14.82065 2587.377       254.4737 2529.310       346.8344 2655.083       374.5183 287.3749 20.71800 293.7433 21.89728 -6.368469      30.14509 
1 1 1 23  2  28 o 70.99957 29.92410 53.91910       212.7191 -88.86121      289.3537 221.8342       313.7905 71.31789 32.27065 94.58547 37.67359 -23.26759      49.60538 
1 1 1 23  2  29 o 193.0163 19.62817 1155.312       219.1024 1245.912       300.5357 1052.529       320.1046 196.1210 26.83169 176.5447 32.09825 19.57626       41.83584 
1 1 1 23  2  30 o 56.16874 26.04999 -131.1804      204.8196 -43.72786      294.9184 -212.6610      284.6707 73.23820 32.90886 63.57211 29.88223 9.666092       44.45155 
1 1 1 23  2  31 o 57.73555 26.10669 -61.06511      188.9842 -302.4746      276.5452 150.4532       258.8588 58.46222 28.03499 82.18355 33.67828 -23.72133      43.81994 
1 1 1 23  2  32 o 43.54632 21.28855 -302.0245      180.3758 -321.0437      253.1472 -282.4100      257.0781 54.30356 26.23745 56.34275 27.02169 -2.039192      37.66398 
1 1 1 23  2  33 o 149.6448 21.10135 719.1844       180.0573 695.5157       254.8042 742.7920       254.4751 139.8256 31.79359 145.4306 30.79604 -5.604996      44.26317 
1 1 1 23  2  34 o 50.54510 23.42548 -99.13811      165.1917 -19.29578      240.8320 -170.0803      227.0127 66.46938 29.81320 56.32169 26.53944 10.14769       39.91452 
1 1 1 23  2  35 o 49.82771 23.24284 -112.3336      166.7710 -426.5619      253.0204 129.0435       221.7589 49.90519 24.56191 75.01142 30.99981 -25.10624      39.55093 
1 1 1 23  2  36 o 72.63156 27.21232 160.3396       156.4951 223.4653       234.0820 109.3228       210.4366 83.80550 32.79850 71.79041 29.97727 12.01510       44.43398 
1 1 1 23  2  37 o 117.7368 26.52446 487.0703       178.7420 480.2876       263.3425 492.8643       243.3933 109.8267 35.69965 112.5613 34.00804 -2.734604      49.30529 
1 1 1 23  2  38 o 155.6568 19.95437 788.8583       177.9771 747.0782       259.0050 826.2349       244.9759 140.9312 32.06160 152.0154 28.52549 -11.08414      42.91444 
1 1 1 23  2  39 o 52.95672 24.68273 -101.2607      187.4739 26.40690       267.4240 -224.6364      262.8905 69.82486 31.35930 57.15820 27.38961 12.66666       41.63648 
1 1 1 23  2  40 o 104.4769 33.60021 435.6457       233.6642 373.6055       282.9478 568.6883       414.3477 96.23489 36.47315 108.9889 43.33020 -12.75397      56.63741 
1 1 1 23  2  41 o 110.3136 37.84566 532.7114       295.3476 380.3526       384.8270 751.0806       460.7097 95.80600 40.30642 118.1252 46.07614 -22.31918      61.21779 
1 1 1 23  3  0  o 337.1882 15.48177 3372.508       305.3394 3317.868       400.4466 3448.397       471.9371 332.9784 20.60683 338.3183 23.93989 -5.339905      31.58734 
1 1 1 23  3  1  o 185.7148 22.99920 1047.252       245.1523 870.5900       315.3702 1317.009       389.7051 165.9521 33.55790 205.0791 33.56124 -39.12697      47.46040 
1 1 1 23  3  2  o 231.7071 19.71213 1609.804       265.3289 1722.606       350.3552 1458.109       406.2915 238.0406 25.49268 216.1444 33.10363 21.89626       41.78191 
1 1 1 23  3  3  o 172.7490 26.23348 917.9426       257.4351 1250.164       331.1726 410.6619       409.2277 201.2736 28.88181 121.7950 44.28892 79.47853       52.87407 
1 1 1 23  3  4  o 90.06815 34.13360 188.5199       247.8029 349.0870       314.2565 -75.45856      402.9397 110.8309 38.97943 89.04238 39.32906 21.78851       55.37302 
1 1 1 23  3  5  o 93.68115 34.79195 218.8400       254.7091 283.8215       326.6513 118.0426       406.8313 105.6336 39.36754 100.4422 41.79063 5.191353       57.41307 
1 1 1 23  3  6  o 100.0847 35.45767 277.3125       260.4059 357.3855       341.3931 165.9035       402.6908 113.1327 40.54276 103.0959 42.09817 10.03681       58.44630 
1 1 1 23  3  7  o 179.6817 27.04526 995.7145       276.1725 1066.797       352.2238 882.2706       444.9680 183.7373 33.93652 163.7112 44.97081 20.02617       56.33881 
1 1 1 23  3  8  o 108.5499 36.62008 348.8336       276.3752 25.86622       361.5011 803.1499       428.7553 89.91426 38.49193 156.5135 44.56941 -66.59921      58.89024 
1 1 1 23  3  9  o 388.6559 16.62284 4491.001       378.0217 3933.467       487.2008 5334.407       599.2264 361.3557 23.11026 420.4034 24.40877 -59.04770      33.61357 
1 1 1 23  3  10 f 128.3598 41.54054 514.5906       356.7899 514.5906       356.7899 0.000000       0.000000 128.3598 41.54054 ?        ?        0.000000       41.54054 
1 1 1 23  3  11 o 353.8750 23.55299 3777.000       486.0349 3777.000       486.0349 0.000000       0.000000 353.8750 23.55299 ?        ?        0.000000       23.55299 
1 1 1 23  3  12 o 288.1171 28.96141 2545.454       482.7412 2545.454       482.7412 0.000000       0.000000 288.1171 28.96141 ?        ?        0.000000       28.96141 
1 1 1 23  3  13 o 232.6854 23.17061 1639.292       311.9984 1639.292       311.9984 0.000000       0.000000 232.6854 23.17061 ?        ?        0.000000       23.17061 
1 1 1 23  3  14 o 77.78147 37.34969 -643.8086      494.5761 -643.8086      494.5761 0.000000       0.000000 77.78147 37.34969 ?        ?        0.000000       37.34969 
1 1 1 23  3  15 o 82.81612 34.89373 46.87559       289.0987 182.5697       443.1489 -53.66307      381.4484 107.7243 44.09570 87.65662 38.50820 20.06770       58.54325 
1 1 1 23  3  16 f 231.9282 23.92752 1631.888       320.7968 1167.716       446.5143 2127.077       461.1919 189.5302 41.33715 262.5753 30.51649 -73.04503      51.38110 
1 1 1 23  3  17 o 57.18054 27.91775 -544.6296      307.2906 -856.4806      451.3285 -275.1380      419.5577 67.33134 33.07209 81.59128 37.64376 -14.25994      50.10804 
1 1 1 23  3  18 o 293.1748 17.43196 2564.525       298.3721 3069.113       414.1455 2019.961       430.2381 319.1475 22.26607 256.0051 29.17572 63.14240       36.70150 
1 1 1 23  3  19 o 131.6911 41.93591 553.4913       364.6591 553.4913       364.6591 0.000000       0.000000 131.6911 41.93591 ?        ?        0.000000       41.93591 
1 1 1 23  3  20 o 101.9951 34.56667 308.8901       246.2590 154.1515       346.5347 466.7543       350.0170 96.18312 39.13627 122.6737 41.21033 -26.49062      56.83255 
1 1 1 23  3  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  3  22 o 218.4101 18.10787 1436.475       229.8651 1310.811       328.7276 1556.710       321.5479 204.8411 28.10337 224.9500 24.78320 -20.10893      37.47008 
1 1 1 23  3  23 o 68.26541 29.77296 -19.68542      224.3970 156.1748       322.7888 -184.1634      312.1682 93.13696 37.81791 71.09201 32.68026 22.04495       49.98193 
1 1 1 23  3  24 o 44.68857 22.09437 -460.6079      212.8601 -504.4826      296.1745 -413.7335      306.1316 56.21581 27.43833 60.63027 29.18347 -4.414459      40.05667 
1 1 1 23  3  25 o 110.9913 31.42884 399.6475       213.8058 509.0093       308.9852 299.1783       296.1566 124.0101 38.48080 102.4482 37.61007 21.56187       53.80790 
1 1 1 23  3  26 o 181.7174 22.59760 1022.753       235.6412 1115.192       330.3890 927.0448       336.1803 185.5374 31.48740 166.7586 35.46626 18.77884       47.42691 
1 1 1 23  3  27 o 53.91283 25.43199 -204.6367      209.4913 214.8272       302.9369 -589.0826      290.0163 94.18817 37.17524 52.36616 25.87172 41.82201       45.29177 
1 1 1 23  3  28 o 166.3705 22.63914 870.4895       215.1699 912.4852       306.2353 829.5410       302.3935 164.6838 32.85919 156.1492 33.98740 8.534561       47.27441 
1 1 1 23  3  29 o 81.23772 31.14847 175.1903       207.8908 271.0222       287.7035 70.48181       300.7332 95.89037 36.67392 81.38521 34.97894 14.50517       50.68039 
1 1 1 23  3  30 o 109.4591 30.44294 410.8252       202.5087 369.6757       286.7668 451.7594       286.0157 104.2515 37.18079 112.6762 37.23796 -8.424713      52.62202 
1 1 1 23  3  31 o 57.45008 26.04994 -66.77225      189.7365 -90.42057      269.6234 -43.57302      267.0510 67.18219 30.69116 69.49847 31.26466 -2.316284      43.81125 
1 1 1 23  3  32 o 47.84264 22.92279 -216.6822      184.0072 -271.3850      261.7487 -163.2345      258.7285 57.39337 27.45603 61.74469 28.85058 -4.351326      39.82700 
1 1 1 23  3  33 o 41.85474 20.51547 -297.1615      170.8589 -151.5561      257.9561 -410.9709      228.0584 61.75214 28.83875 47.22478 23.25749 14.52736       37.04840 
1 1 1 23  3  34 o 64.13104 26.73434 68.68247       166.9592 3.418943       261.8408 113.3976       216.7350 70.20203 31.31521 73.60127 30.55259 -3.399246      43.75046 
1 1 1 23  3  35 o 67.55833 26.52239 117.7407       153.4712 94.59636       229.3325 136.5123       206.5353 72.79886 30.89456 74.35082 30.22821 -1.551964      43.22290 
1 1 1 23  3  36 o 59.33989 25.60600 29.98971       162.3998 -193.3973      241.5160 214.3523       219.4084 56.61610 26.88374 82.17600 31.86915 -25.55991      41.69386 
1 1 1 23  3  37 o 170.8077 17.34331 923.8759       171.3300 581.0306       250.2930 1226.161       235.0218 122.5720 33.75094 193.7865 21.01521 -71.21452      39.75883 
1 1 1 23  3  38 o 51.53774 23.75926 -75.21553      166.6669 -218.5776      246.9869 44.64387       225.8358 55.72012 26.65963 67.43547 29.62728 -11.71535      39.85614 
1 1 1 23  3  39 o 54.77325 24.96511 -47.05411      177.0907 -81.39987      247.0423 -10.74925      253.9902 61.74466 28.62676 66.34512 30.10566 -4.600468      41.54326 
1 1 1 23  3  40 o 55.13736 25.78542 -110.3442      207.4060 -246.4194      300.6547 13.21149       286.4904 60.36532 29.02139 70.45190 31.97104 -10.08658      43.17856 
1 1 1 23  4  0  o 304.5677 16.07683 2755.870       286.1501 2857.792       367.8596 2599.699       455.3524 308.9530 20.41646 292.4061 26.85240 16.54688       33.73252 
1 1 1 23  4  1  o 161.2185 26.52679 802.5135       242.0975 1069.646       304.3427 342.1952       399.5109 185.9218 28.84557 115.7527 43.45586 70.16904       52.15821 
1 1 1 23  4  2  o 369.6281 15.01681 4049.683       324.8540 4058.679       427.5972 4037.403       499.5826 368.5730 19.85486 366.3012 23.37711 2.271759       30.67091 
1 1 1 23  4  3  o 199.6129 21.93786 1204.955       252.5947 1041.036       330.0678 1436.646       392.4130 182.2435 32.05124 214.7656 32.14177 -32.52205      45.39136 
1 1 1 23  4  4  o 47.96649 23.61024 -480.3496      233.9973 -332.2297      304.2383 -694.8718      366.1367 64.28190 30.42073 61.02187 29.93535 3.260025       42.67958 
1 1 1 23  4  5  o 82.07253 32.97463 109.6294       242.5342 46.78183       305.3058 217.1318       399.3003 84.80559 35.80196 106.2907 42.44404 -21.48515      55.52727 
1 1 1 23  4  6  o 231.7965 20.61204 1615.983       277.2875 1471.532       359.1072 1829.286       436.3771 218.5407 28.71210 242.9794 31.35266 -24.43866      42.51322 
1 1 1 23  4  7  o 404.9969 15.93285 4869.490       377.7004 4596.108       488.8645 5274.344       594.9125 391.5262 21.37110 418.1491 24.36446 -26.62289      32.40911 
1 1 1 23  4  8  o 481.8916 24.58773 7005.422       692.5968 0.000000       0.000000 7005.422       692.5968 ?        ?        481.8916 24.58773 0.000000       24.58773 
1 1 1 23  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  4  10 o 232.9887 29.65553 1676.425       396.0499 1676.425       396.0499 0.000000       0.000000 232.9887 29.65553 ?        ?        0.000000       29.65553 
1 1 1 23  4  11 o 250.0798 28.50838 1921.012       410.6625 1921.012       410.6625 0.000000       0.000000 250.0798 28.50838 ?        ?        0.000000       28.50838 
1 1 1 23  4  12 o 161.9251 42.33645 858.4864       406.5066 858.4864       406.5066 0.000000       0.000000 161.9251 42.33645 ?        ?        0.000000       42.33645 
1 1 1 23  4  13 o 161.9980 32.04065 828.3992       293.6243 828.3992       293.6243 0.000000       0.000000 161.9980 32.04065 ?        ?        0.000000       32.04065 
1 1 1 23  4  14 o 243.6824 23.87434 1799.265       336.8239 1799.265       336.8239 0.000000       0.000000 243.6824 23.87434 ?        ?        0.000000       23.87434 
1 1 1 23  4  15 o 293.6001 16.62263 2565.261       285.0550 2778.200       379.5005 2289.585       431.8020 304.1474 21.41224 273.9263 27.23876 30.22110       34.64728 
1 1 1 23  4  16 o 175.4434 31.73238 967.0485       314.4896 904.3517       444.3714 1029.963       445.1406 165.6479 44.71000 177.1192 43.23682 -11.47136      62.19652 
1 1 1 23  4  17 o 57.29354 27.81696 -477.4967      293.5201 -414.9507      396.9349 -552.9637      436.0118 73.47980 34.76577 73.66158 35.29136 -0.1817856     49.53926 
1 1 1 23  4  18 o 264.2640 18.78731 2091.799       289.2756 2117.605       385.8690 2058.684       437.0988 263.6994 25.25898 258.3139 29.37344 5.385498       38.74035 
1 1 1 23  4  19 o 160.6449 27.51213 804.9363       249.8863 598.6009       365.5361 985.9621       342.3842 136.0081 41.79406 175.5913 34.47868 -39.58322      54.18046 
1 1 1 23  4  20 o 227.1157 18.70015 1550.713       246.8776 1627.013       381.5274 1495.754       323.8058 228.8409 29.08380 220.7326 25.48026 8.108261       38.66666 
1 1 1 23  4  21 o 180.9086 22.26912 1001.123       231.2921 1030.071       338.1869 975.6833       317.0300 179.2356 33.40086 174.8749 32.09401 4.360687       46.32108 
1 1 1 23  4  22 o 205.7101 19.03483 1279.205       227.0403 1455.073       339.4612 1136.859       305.3999 216.2429 27.37968 190.4545 28.19218 25.78836       39.29944 
1 1 1 23  4  23 o 268.8070 15.03406 2157.267       236.0660 2348.498       341.8091 1982.869       326.4180 278.1555 21.11061 255.0723 22.03617 23.08318       30.51640 
1 1 1 23  4  24 o 57.08695 26.25416 -131.3002      201.7887 -1.162513      281.3867 -269.0815      289.5323 77.20151 33.50869 63.90437 30.06895 13.29714       45.02193 
1 1 1 23  4  25 o 74.16441 30.11495 89.03542       204.6919 320.0271       297.8298 -117.7483      281.7917 104.4250 37.81011 69.99274 31.74090 34.43229       49.36688 
1 1 1 23  4  26 f 101.1544 32.99424 324.7203       224.8401 123.6363       314.3307 535.3993       321.7427 88.74811 36.81304 125.9353 39.29720 -37.18719      53.84673 
1 1 1 23  4  27 o 120.5500 29.50035 478.5445       206.8392 60.50896       294.9774 882.9064       290.1130 81.68124 34.86371 163.8124 31.33888 -82.13113      46.87860 
1 1 1 23  4  28 o 139.1248 26.76225 629.6608       210.4351 745.7054       294.2462 508.1702       301.0714 147.3047 34.64471 120.7218 38.06318 26.58293       51.46904 
1 1 1 23  4  29 o 103.6175 32.39293 364.2347       218.5118 232.2918       323.0349 475.5328       296.6883 94.63841 38.04435 115.9794 37.90566 -21.34102      53.70486 
1 1 1 23  4  30 o 70.10404 28.70902 89.85739       187.9470 108.0578       272.7843 73.40918       259.3210 80.56435 33.91708 76.68514 32.70872 3.879211       47.11930 
1 1 1 23  4  31 o 181.5312 17.22820 1018.418       181.2223 921.0283       238.2887 1152.020       279.0957 168.0319 24.93549 187.3449 26.10999 -19.31294      36.10416 
1 1 1 23  4  32 o 46.67280 22.39141 -214.2269      176.8493 -156.1655      242.7636 -279.8817      258.1504 59.87420 27.96663 56.50883 27.09517 3.365368       38.93945 
1 1 1 23  4  33 o 71.72910 28.16814 132.2695       173.1525 220.1375       257.4750 59.71872       233.9597 86.52521 34.23429 71.46359 30.78497 15.06161       46.04022 
1 1 1 23  4  34 o 43.40751 21.09332 -250.3967      169.7517 -159.1360      262.7663 -315.7635      222.3854 61.55079 28.86149 49.40554 24.03871 12.14525       37.56122 
1 1 1 23  4  35 o 84.53571 28.03809 245.2579       162.1077 131.0359       231.8887 354.4341       226.7088 75.91028 31.56459 98.22028 33.16681 -22.31001      45.78603 
1 1 1 23  4  36 o 66.51181 27.20391 97.79894       168.4939 -37.35875      265.1324 189.3669       218.2299 67.17176 30.58941 79.58578 31.50834 -12.41402      43.91454 
1 1 1 23  4  37 o 77.11746 27.97440 196.7394       163.1314 222.9932       258.1577 179.2874       210.4799 84.03809 33.92997 77.60295 30.87268 6.435135       45.87336 
1 1 1 23  4  38 o 68.63737 27.30667 126.9197       164.6687 59.30551       262.6138 170.7286       211.3878 71.83623 31.73900 76.50579 30.76840 -4.669563      44.20474 
1 1 1 23  4  39 o 55.63259 25.17932 -32.36699      176.2852 104.9861       255.7596 -156.6793      243.3155 73.77222 31.98370 57.60139 27.24306 16.17082       42.01359 
1 1 1 23  4  40 o 109.9871 28.54022 446.9385       185.6656 544.7909       264.0881 351.3032       261.0792 114.9085 35.56191 94.30854 35.18560 20.60001       50.02675 
1 1 1 23  5  0  o 50.51423 23.88332 -208.8855      186.7160 -231.6315      256.8372 -183.3895      271.9204 61.53487 28.75005 66.29474 30.48446 -4.759869      41.90307 
1 1 1 23  5  1  o 393.2949 14.94202 4584.141       344.0230 4861.181       458.8989 4228.661       519.8206 403.5637 19.44619 374.6849 23.77842 28.87881       30.71754 
1 1 1 23  5  2  o 90.91057 33.08939 214.5838       228.5045 330.3535       281.0563 -11.15235      392.4610 106.9717 36.91023 91.29237 39.59940 15.67936       54.13388 
1 1 1 23  5  3  o 120.9126 31.79793 462.9478       228.4488 428.4025       281.3416 529.8098       391.4072 117.4742 36.76077 131.0346 43.57069 -13.56043      57.00666 
1 1 1 23  5  4  o 58.12167 27.28653 -231.7896      236.0922 -359.3075      295.2021 -5.461529      393.2812 61.85887 29.47203 91.65211 39.69851 -29.79324      49.44262 
1 1 1 23  5  5  o 361.4846 15.64832 3878.865       330.9619 3824.239       431.7353 3956.714       515.4026 357.3094 20.69113 361.9873 24.42035 -4.677917      32.00744 
1 1 1 23  5  6  o 113.7608 34.50232 403.9177       250.1843 814.4677       315.2575 -294.4699      411.1787 159.8033 34.63914 79.87944 36.99891 79.92387       50.68323 
1 1 1 23  5  7  o 280.9895 18.72570 2360.409       306.8268 2222.932       383.8272 2603.776       510.6838 270.8307 24.42730 290.8214 30.38964 -19.99066      38.99004 
1 1 1 23  5  8  o 370.0288 21.26308 4107.637       459.4938 4107.637       459.4938 0.000000       0.000000 370.0288 21.26308 ?        ?        0.000000       21.26308 
1 1 1 23  5  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  5  10 o 202.9352 32.68289 1291.481       375.7724 1291.481       375.7724 0.000000       0.000000 202.9352 32.68289 ?        ?        0.000000       32.68289 
1 1 1 23  5  11 o 282.2559 25.57460 2421.044       418.7628 2421.044       418.7628 0.000000       0.000000 282.2559 25.57460 ?        ?        0.000000       25.57460 
1 1 1 23  5  12 o 188.9484 38.84354 1149.851       416.0492 1149.851       416.0492 0.000000       0.000000 188.9484 38.84354 ?        ?        0.000000       38.84354 
1 1 1 23  5  13 o 318.2623 19.22237 3027.846       357.1194 3027.846       357.1194 0.000000       0.000000 318.2623 19.22237 ?        ?        0.000000       19.22237 
1 1 1 23  5  14 o 287.8242 21.36169 2489.267       358.0193 2489.267       358.0193 0.000000       0.000000 287.8242 21.36169 ?        ?        0.000000       21.36169 
1 1 1 23  5  15 o 444.8635 16.81997 5881.511       438.0459 5881.511       438.0459 0.000000       0.000000 444.8635 16.81997 ?        ?        0.000000       16.81997 
1 1 1 23  5  16 o 70.86895 34.25475 -635.0850      432.5460 -635.0850      432.5460 0.000000       0.000000 70.86895 34.25475 ?        ?        0.000000       34.25475 
1 1 1 23  5  17 o 305.4623 17.70681 2783.899       315.8516 2657.083       420.7854 2947.570       478.0345 296.1063 24.44816 311.1346 26.44795 -15.02826      36.01676 
1 1 1 23  5  18 o 106.7161 36.20376 337.8630       270.1427 131.3031       357.4136 613.1021       412.5752 95.97202 39.47763 138.3232 44.66219 -42.35115      59.60868 
1 1 1 23  5  19 o 422.8499 13.05207 5293.688       323.2926 5544.561       464.9092 5058.782       449.8711 430.7308 18.44670 411.2882 18.69946 19.44257       26.26690 
1 1 1 23  5  20 o 65.66766 29.67581 -109.2532      243.7633 21.51147       362.5834 -217.1021      329.2842 88.97948 38.32722 72.28954 33.35106 16.68995       50.80619 
1 1 1 23  5  21 o 182.5051 23.42896 1023.603       244.9943 1463.629       352.5427 612.6224       340.7087 216.6337 28.43398 136.2661 40.01272 80.36765       49.08675 
1 1 1 23  5  22 o 75.07454 31.28034 59.46490       228.3969 -28.19532      338.6599 132.6001       309.3327 82.80021 36.33228 90.19141 36.87096 -7.391197      51.76390 
1 1 1 23  5  23 o 306.4644 14.13330 2797.034       253.3396 2816.851       385.7732 2782.008       335.9288 304.3937 21.75294 303.7927 18.94905 0.6010132      28.84886 
1 1 1 23  5  24 o 82.72486 31.04529 172.1650       203.8635 -18.87204      300.4613 335.1390       277.5166 78.40231 34.31709 105.2322 36.65739 -26.82992      50.21381 
1 1 1 23  5  25 o 129.3591 30.26093 544.4496       225.4699 588.8634       342.6407 510.5306       299.4342 131.9971 40.44594 123.8879 37.78084 8.109192       55.34678 
1 1 1 23  5  26 o 70.15633 30.05267 21.44809       220.6180 -51.99909      316.4845 90.87585       307.7028 77.63858 34.54305 85.64584 36.03748 -8.007256      49.91916 
1 1 1 23  5  27 o 157.1066 23.78935 778.6366       212.3412 670.4060       304.3964 881.2255       296.3566 139.5127 36.71231 162.9840 32.14670 -23.47131      48.79758 
1 1 1 23  5  28 o 159.2313 22.83932 801.2143       207.1879 1098.716       291.2257 496.3170       294.8232 183.9449 27.86733 119.2872 37.67340 64.65765       46.86014 
1 1 1 23  5  29 o 110.2249 29.96442 412.5039       198.7462 425.7803       286.0402 400.1119       276.3495 110.5642 37.25482 107.8036 36.61678 2.760574       52.23706 
1 1 1 23  5  30 o 60.74998 28.53511 -195.2083      258.7680 0.000000       0.000000 -195.2083      258.7680 ?        ?        60.74998 28.53511 0.000000       28.53511 
1 1 1 23  5  31 o 108.9433 36.13642 425.9348       269.2740 0.000000       0.000000 425.9348       269.2740 ?        ?        108.9433 36.13642 0.000000       36.13642 
1 1 1 23  5  32 o 68.36302 27.59840 99.60800       170.7797 187.1657       227.1363 -14.26767      259.0329 82.21956 32.26951 69.75235 31.12858 12.46721       44.83648 
1 1 1 23  5  33 o 67.03449 27.32223 92.80322       169.2394 75.88061       246.3046 107.9387       232.9359 73.79618 31.68552 74.98278 31.44055 -1.186600      44.63721 
1 1 1 23  5  34 o 44.05572 21.23796 -211.0767      163.6006 -33.35877      237.0927 -372.6048      226.0354 65.04177 29.34162 47.91913 23.51026 17.12264       37.59871 
1 1 1 23  5  35 o 64.41463 26.61028 79.69325       163.3185 -52.21466      240.8367 191.9959       222.2196 63.99454 29.14705 80.60506 31.83173 -16.61052      43.16027 
1 1 1 23  5  36 o 187.4189 16.09160 1097.186       175.1633 1374.752       258.6721 862.1162       238.0478 204.8746 21.86596 157.9890 26.63775 46.88560       34.46288 
1 1 1 23  5  37 o 93.88885 28.38817 319.1404       169.5520 263.1449       261.3954 359.8115       222.7742 87.53532 34.53768 97.32245 32.87771 -9.787125      47.68433 
1 1 1 23  5  38 o 57.67347 25.43583 7.345559       167.9453 -303.5181      248.7467 267.7637       227.6712 52.63181 25.56611 86.71436 32.75040 -34.08254      41.54774 
1 1 1 23  5  39 o 69.25050 27.61113 133.3804       168.7237 309.1586       253.9810 -5.470689      225.7320 90.42393 34.48835 63.57889 28.66050 26.84504       44.84273 
1 1 1 23  5  40 o 89.75324 29.73317 300.1571       182.3156 274.2524       270.2705 321.7876       246.9687 87.26999 34.89562 91.39812 34.19703 -4.128128      48.85838 
1 1 1 23  6  0  f 102.2867 28.90703 326.4984       181.0530 592.6843       252.1812 43.33851       260.0974 136.6529 32.02787 78.85268 33.15314 57.80018       46.09679 
1 1 1 23  6  1  f 128.7977 29.80440 523.7007       220.6674 424.8472       261.1177 770.6985       412.7497 116.5198 35.22897 153.6556 43.72102 -37.13580      56.14809 
1 1 1 23  6  2  o 389.1942 15.00632 4490.720       341.8823 4441.690       442.2325 4563.552       538.9872 385.5742 19.62105 389.1934 23.72635 -3.619202      30.78839 
1 1 1 23  6  3  o 193.4817 21.96330 1133.709       244.8184 862.0002       298.2316 1695.148       428.7001 165.4049 31.89969 233.4423 32.16711 -68.03738      45.30246 
1 1 1 23  6  4  o 268.8240 17.43717 2155.465       273.4292 2005.496       330.1317 2483.082       487.9446 257.9586 22.03232 284.2842 29.70410 -26.32559      36.98320 
1 1 1 23  6  5  o 72.67471 31.13365 4.829865       236.8051 -46.78801      287.0135 114.8884       419.0967 76.21239 33.44430 101.2831 42.29947 -25.07069      53.92371 
1 1 1 23  6  6  o 179.5612 27.71905 997.2926       282.5180 860.1102       347.5554 1264.492       485.0572 163.4971 37.09990 196.5273 43.25869 -33.03020      56.98874 
1 1 1 23  6  7  o 273.6301 34.11178 2337.456       535.5623 0.000000       0.000000 2337.456       535.5623 ?        ?        273.6301 34.11178 0.000000       34.11178 
1 1 1 23  6  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  6  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  6  10 o 107.0511 42.02459 246.6351       385.2923 246.6351       385.2923 0.000000       0.000000 107.0511 42.02459 ?        ?        0.000000       42.02459 
1 1 1 23  6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  6  12 f 257.6898 22.88990 2005.979       342.3370 2005.979       342.3370 0.000000       0.000000 257.6898 22.88990 ?        ?        0.000000       22.88990 
1 1 1 23  6  13 o 87.68240 40.95195 -414.3701      520.3505 -414.3701      520.3505 0.000000       0.000000 87.68240 40.95195 ?        ?        0.000000       40.95195 
1 1 1 23  6  14 o 239.2794 27.01793 1750.823       372.5244 1750.823       372.5244 0.000000       0.000000 239.2794 27.01793 ?        ?        0.000000       27.01793 
1 1 1 23  6  15 o 262.3046 26.53821 2097.980       402.6416 2097.980       402.6416 0.000000       0.000000 262.3046 26.53821 ?        ?        0.000000       26.53821 
1 1 1 23  6  16 o 338.4247 19.29521 3424.270       381.3806 3424.270       381.3806 0.000000       0.000000 338.4247 19.29521 ?        ?        0.000000       19.29521 
1 1 1 23  6  17 o 343.8864 14.25148 3506.163       286.8028 3818.595       357.0655 2938.094       481.4713 358.0732 17.05200 310.4261 26.70541 47.64703       31.68517 
1 1 1 23  6  18 o 195.6677 22.81252 1165.683       256.8789 1081.166       319.7458 1319.529       431.3958 185.7477 30.40234 202.4891 37.71386 -16.74133      48.44211 
1 1 1 23  6  19 o 181.5845 24.50112 1013.183       254.2730 806.0514       357.7769 1224.582       361.4439 156.7652 39.05865 196.8628 32.43450 -40.09763      50.76982 
1 1 1 23  6  20 o 155.5611 27.26685 758.2881       239.6997 796.5122       349.6571 724.3982       329.2368 155.5146 38.53526 148.5315 37.72839 6.983093       53.92956 
1 1 1 23  6  21 o 94.74121 33.62365 254.5832       234.2532 309.3926       340.8494 205.5218       322.4813 107.2196 40.16250 97.25261 38.36472 9.966942       55.54168 
1 1 1 23  6  22 o 74.42506 30.70819 69.81882       217.1362 -102.2619      321.8054 213.6442       294.2016 76.56425 34.39204 95.25055 36.91336 -18.68630      50.45204 
1 1 1 23  6  23 o 219.1393 17.57581 1446.659       223.9918 1699.457       333.2366 1238.305       302.5296 234.8013 24.56221 199.2385 26.55105 35.56284       36.16988 
1 1 1 23  6  24 o 44.80212 22.09669 -432.3044      208.4214 -144.9537      315.5645 -654.6420      277.5802 73.19620 33.34806 49.27808 24.51209 23.91812       41.38763 
1 1 1 23  6  25 f 235.5840 16.87633 1672.567       231.6261 1683.098       342.2568 1663.667       314.6229 232.3983 25.53122 232.1056 23.43343 0.2926941      34.65500 
1 1 1 23  6  26 o 45.80199 22.47891 -390.3444      207.1696 -653.2706      312.7494 -184.7697      276.5441 53.87411 26.66210 65.34777 30.29402 -11.47366      40.35586 
1 1 1 23  6  27 o 53.74139 25.27139 -186.1157      203.9565 -156.3972      291.1389 -214.7565      285.8111 68.23360 31.43667 64.75002 30.27710 3.483574       43.64593 
1 1 1 23  6  28 o 72.29188 29.58957 91.06269       199.5231 58.44884       284.1185 122.7962       280.2576 79.25060 34.02927 83.49222 34.70764 -4.241623      48.60670 
1 1 1 23  6  29 o 102.6442 30.33796 357.3231       195.3312 362.5283       277.9797 352.2463       274.5326 103.7193 36.64490 102.5962 36.40096 1.123093       51.65151 
1 1 1 23  6  30 o 96.25713 29.19546 313.3176       179.1369 454.9161       259.9360 185.2363       247.2180 112.9033 35.33528 84.44112 33.50218 28.46214       48.69270 
1 1 1 23  6  31 o 47.35474 22.61712 -199.5542      176.0875 -333.9134      255.2883 -77.61613      243.2019 54.21867 26.23322 64.36510 29.30574 -10.14643      39.33202 
1 1 1 23  6  32 o 72.67072 27.93119 142.4929       167.4406 143.3774       240.3251 141.6586       233.4192 79.15002 32.44440 78.41737 32.03975 0.7326584      45.59808 
1 1 1 23  6  33 o 103.5079 28.35636 375.0115       177.1903 108.8527       253.4480 629.4745       247.8168 76.77401 32.52550 131.7901 32.31459 -55.01614      45.84911 
1 1 1 23  6  34 o 43.93017 21.18943 -212.4930      163.4083 -124.3083      226.6767 -307.9034      235.7806 58.45916 27.21167 51.59800 25.02352 6.861160       36.96825 
1 1 1 23  6  35 o 91.69598 28.27938 296.6696       167.1720 87.37057       239.2646 496.2928       233.6685 72.96131 31.27645 115.0035 32.95270 -42.04217      45.43233 
1 1 1 23  6  36 o 71.23556 27.56912 146.2103       163.9387 271.9974       241.5752 38.82927       223.2021 88.38349 33.65343 67.27116 29.50767 21.11233       44.75775 
1 1 1 23  6  37 o 103.6295 28.43357 390.6997       177.9991 425.7379       280.8377 367.1728       230.1261 102.8040 36.77982 97.86620 33.41129 4.937767       49.68973 
1 1 1 23  6  38 o 50.50935 23.41690 -86.50896      165.2832 1.190757       251.9523 -152.7626      218.9900 67.11134 30.26373 54.85904 25.91581 12.25230       39.84373 
1 1 1 23  6  39 o 50.61771 23.23976 -61.83377      157.1945 -114.8184      243.2478 -23.83958      205.9836 59.49881 27.85735 60.08088 27.20270 -0.5820694     38.93609 
1 1 1 23  6  40 o 102.9730 28.24825 392.1468       175.7048 566.5232       285.7154 286.0937       222.8187 115.2350 37.16326 87.59857 32.53956 27.63641       49.39566 
1 1 1 23  7  0  o 388.4779 11.98947 4457.052       272.8329 4911.809       434.7231 4161.528       350.4441 405.9463 18.30681 374.3221 16.00022 31.62418       24.31350 
1 1 1 23  7  1  o 147.6850 21.94324 666.0751       184.2907 606.8377       256.5606 729.2223       264.8919 138.1859 32.24862 152.1427 30.74606 -13.95683      44.55664 
1 1 1 23  7  2  o 574.7397 16.11617 9802.813       542.6933 10070.13       739.9111 9491.572       798.3891 579.6895 21.80260 561.3030 24.31071 18.38641       32.65523 
1 1 1 23  7  3  f 383.0521 15.11950 4351.935       338.9938 4403.734       428.6033 4265.395       553.9922 384.0448 19.08914 375.4196 25.30939 8.625275       31.70112 
1 1 1 23  7  4  o 286.9371 17.53672 2455.385       293.7018 2455.564       353.3451 2454.984       528.2711 285.8441 21.22905 281.2818 32.62777 4.562317       38.92614 
1 1 1 23  7  5  o 63.28576 29.03409 -158.9039      244.7243 -239.4504      283.6654 75.53986       483.9519 65.22269 30.38707 104.9768 44.72677 -39.75407      54.07271 
1 1 1 23  7  6  o 141.3120 32.38000 635.1763       262.5884 810.6584       308.2088 170.5071       501.5340 159.5167 33.98580 111.6698 46.42613 47.84696       57.53625 
1 1 1 23  7  7  o 140.4355 39.48701 637.3371       338.7257 637.3371       338.7257 0.000000       0.000000 140.4355 39.48701 ?        ?        0.000000       39.48701 
1 1 1 23  7  8  o 320.9233 22.73112 3103.762       425.0627 3103.762       425.0627 0.000000       0.000000 320.9233 22.73112 ?        ?        0.000000       22.73112 
1 1 1 23  7  9  o 208.7047 32.23296 1362.629       381.8373 1362.629       381.8373 0.000000       0.000000 208.7047 32.23296 ?        ?        0.000000       32.23296 
1 1 1 23  7  10 o 111.4747 42.71682 299.6364       390.8293 299.6364       390.8293 0.000000       0.000000 111.4747 42.71682 ?        ?        0.000000       42.71682 
1 1 1 23  7  11 o 384.1082 24.70060 4458.614       553.4819 4458.614       553.4819 0.000000       0.000000 384.1082 24.70060 ?        ?        0.000000       24.70060 
1 1 1 23  7  12 o 183.8081 31.82648 1059.608       330.6672 1059.608       330.6672 0.000000       0.000000 183.8081 31.82648 ?        ?        0.000000       31.82648 
1 1 1 23  7  13 o 103.3782 43.84223 82.46729       461.3064 82.46729       461.3064 0.000000       0.000000 103.3782 43.84223 ?        ?        0.000000       43.84223 
1 1 1 23  7  14 o 333.3026 19.50756 3321.474       379.6553 3321.474       379.6553 0.000000       0.000000 333.3026 19.50756 ?        ?        0.000000       19.50756 
1 1 1 23  7  15 o 289.0448 23.59761 2524.867       396.5438 2524.867       396.5438 0.000000       0.000000 289.0448 23.59761 ?        ?        0.000000       23.59761 
1 1 1 23  7  16 o 206.3759 23.31996 1294.490       277.3137 1654.063       355.0712 732.1414       444.0428 232.4827 26.51548 149.7818 46.07084 82.70088       53.15630 
1 1 1 23  7  17 o 184.1313 24.45446 1038.589       257.5575 1074.536       313.4836 963.9219       451.8021 185.5102 29.82422 170.2767 44.68774 15.23343       53.72596 
1 1 1 23  7  18 o 50.65301 24.78342 -453.3570      245.9719 -365.0633      306.8519 -612.0797      411.4182 63.08755 30.05476 68.68774 33.25044 -5.600185      44.82053 
1 1 1 23  7  19 f 410.8282 13.13825 5000.134       316.1473 5074.032       440.0697 4921.318       454.4781 411.9156 18.26180 405.2542 19.17646 6.661438       26.48075 
1 1 1 23  7  20 o 75.99473 31.42781 68.47769       228.1382 -39.91094      324.5362 174.3646       320.7690 80.71920 35.48803 94.83070 37.98314 -14.11150      51.98191 
1 1 1 23  7  21 o 269.7072 15.63662 2172.718       246.2747 2706.881       374.6480 1766.274       326.8037 298.8038 21.52319 240.2735 23.49136 58.53024       31.86051 
1 1 1 23  7  22 o 154.6212 24.92418 745.9724       218.3340 637.9036       327.0298 832.8771       293.2643 138.4027 38.75786 160.6529 32.24757 -22.25014      50.41902 
1 1 1 23  7  23 o 190.8243 20.80728 1111.837       229.0946 1319.719       346.6664 950.6600       305.2488 204.1427 29.83644 172.0210 31.41391 32.12172       43.32490 
1 1 1 23  7  24 o 180.2577 22.52520 1002.418       232.9462 1108.944       378.1309 937.2636       295.7259 183.0325 36.50681 170.7657 30.65475 12.26688       47.67034 
1 1 1 23  7  25 o 143.3393 27.90838 659.4896       226.1705 616.2936       341.0197 693.4097       302.1949 134.3240 40.18111 143.6359 35.95928 -9.311935      53.92209 
1 1 1 23  7  26 o 62.77980 28.14696 -65.86379      214.4272 -380.3228      317.0100 199.3506       291.1317 62.62387 30.02682 92.06406 36.41026 -29.44019      47.19446 
1 1 1 23  7  27 o 136.1667 26.53483 601.2174       204.2844 973.0079       298.7160 274.5673       279.9953 171.6321 30.80837 96.96357 36.38441 74.66851       47.67579 
1 1 1 23  7  28 o 77.62645 30.38839 145.5081       200.9890 79.86532       286.7190 208.9300       281.8268 80.75514 34.41737 90.25984 35.78336 -9.504700      49.64881 
1 1 1 23  7  29 o 198.6172 17.45522 1213.842       201.2599 1217.893       289.3830 1210.047       280.0932 193.5401 26.16431 193.5173 25.28333 0.2284241E-01  36.38431 
1 1 1 23  7  30 o 86.03413 29.50333 238.9371       179.4862 82.39463       267.7145 366.7528       241.9067 77.81658 33.21383 102.7382 34.25581 -24.92159      47.71394 
1 1 1 23  7  31 o 110.8855 27.80194 419.5946       180.4447 172.5706       264.8972 633.4506       246.4725 84.03878 34.20887 134.2322 31.79999 -50.19346      46.70638 
1 1 1 23  7  32 o 69.34138 27.47504 115.2597       166.0624 296.5284       249.8969 -28.08829      222.2263 93.84837 34.53202 64.14058 28.71339 29.70779       44.91013 
1 1 1 23  7  33 o 139.0666 22.79903 635.2870       179.5094 544.9927       257.2763 720.9459       250.5852 120.5389 34.58945 142.3137 30.91002 -21.77476      46.38814 
1 1 1 23  7  34 o 101.9504 27.12392 362.9872       165.0009 275.4375       228.8806 457.7196       238.0845 89.66251 33.03837 110.5211 33.68578 -20.85859      47.18332 
1 1 1 23  7  35 o 57.88047 25.42845 5.231247       166.3463 161.9321       244.0411 -130.7602      227.3438 79.04784 32.57928 57.80864 27.02215 21.23919       42.32737 
1 1 1 23  7  36 o 153.1544 20.25597 762.4101       177.4855 660.4802       262.9034 847.7677       240.5839 131.1318 33.92879 155.8021 27.32538 -24.67030      43.56420 
1 1 1 23  7  37 o 125.6704 25.97702 552.2078       185.1272 373.5949       302.5962 659.0533       234.0374 97.57514 37.53669 133.5687 30.54272 -35.99355      48.39278 
1 1 1 23  7  38 o 53.53372 24.56127 -62.64627      175.1598 63.75748       267.7918 -157.1635      231.5650 72.25304 31.98071 56.23740 26.59172 16.01564       41.59189 
1 1 1 23  7  39 o 77.94594 28.89371 206.6982       175.5161 290.6445       261.5385 137.9140       236.7441 88.65981 34.67739 74.65490 31.52223 14.00491       46.86334 
1 1 1 23  7  40 o 68.44669 27.75189 124.6257       173.5293 27.33983       252.9811 211.0751       238.4757 68.04774 30.53579 80.54027 32.57749 -12.49252      44.65117 
1 1 1 23  8  0  o 175.4819 17.85698 924.6955       181.2195 956.7676       243.1778 884.6396       271.7646 176.8962 24.06313 168.6253 28.49436 8.270905       37.29562 
1 1 1 23  8  1  o 296.2008 12.95073 2596.556       224.4296 3026.900       333.8825 2241.847       303.1249 318.5493 17.94428 273.7036 19.00183 44.84573       26.13554 
1 1 1 23  8  2  o 317.2494 15.34955 2988.702       284.7450 2848.628       331.8326 3379.883       554.5341 308.8619 18.40254 332.4142 28.72609 -23.55234      34.11512 
1 1 1 23  8  3  o 187.1635 22.10822 1062.843       237.9967 1119.700       270.2546 866.4138       502.3271 191.4187 24.64466 161.7550 48.85316 29.66370       54.71738 
1 1 1 23  8  4  o 253.5602 18.79709 1924.806       277.5382 1719.664       323.8428 2492.256       538.6046 238.2006 23.48670 283.1191 33.05923 -44.91844      40.55290 
1 1 1 23  8  5  o 68.40961 30.21894 -56.84121      237.9466 -59.37965      276.2854 -49.55117      468.2079 73.87609 32.60120 96.98466 42.63277 -23.10857      53.66928 
1 1 1 23  8  6  o 109.2916 38.69000 338.7216       309.9976 338.7216       309.9976 0.000000       0.000000 109.2916 38.69000 ?        ?        0.000000       38.69000 
1 1 1 23  8  7  o 83.19643 36.20831 -23.18360      330.4013 -23.18360      330.4013 0.000000       0.000000 83.19643 36.20831 ?        ?        0.000000       36.20831 
1 1 1 23  8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  8  10 o 347.6673 26.26530 3670.801       531.5848 3670.801       531.5848 0.000000       0.000000 347.6673 26.26530 ?        ?        0.000000       26.26530 
1 1 1 23  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  8  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  8  13 o 450.8005 17.10748 6042.429       451.4734 6042.429       451.4734 0.000000       0.000000 450.8005 17.10748 ?        ?        0.000000       17.10748 
1 1 1 23  8  14 o 469.4034 26.14278 6672.034       716.8521 6672.034       716.8521 0.000000       0.000000 469.4034 26.14278 ?        ?        0.000000       26.14278 
1 1 1 23  8  15 o 226.3035 27.92901 1574.547       362.8218 1574.547       362.8218 0.000000       0.000000 226.3035 27.92901 ?        ?        0.000000       27.92901 
1 1 1 23  8  16 o 173.6144 26.93054 932.6528       265.3314 1069.126       334.1015 699.5848       436.6131 184.3019 32.07432 146.6504 45.78041 37.65149       55.89820 
1 1 1 23  8  17 o 161.1128 29.25089 814.6725       266.2118 1096.071       318.9073 167.8900       483.4849 187.1752 30.06941 109.4595 45.55139 77.71576       54.58112 
1 1 1 23  8  18 o 271.8615 17.09259 2208.439       271.1455 2380.535       338.5387 1900.507       452.8458 281.1067 20.67936 246.3382 32.10839 34.76851       38.19143 
1 1 1 23  8  19 o 243.9528 18.04556 1786.018       256.3546 1908.982       343.5493 1631.533       385.0742 250.2409 23.69096 228.8392 29.36836 21.40173       37.73277 
1 1 1 23  8  20 o 253.1928 17.34143 1922.702       255.9509 2035.336       380.2160 1829.362       346.1200 257.2855 25.53448 244.2593 24.49164 13.02615       35.38149 
1 1 1 23  8  21 o 178.0889 23.42795 977.4355       238.7642 1005.045       360.0531 955.7643       318.9907 175.2142 36.23552 172.3167 32.76168 2.897583       48.85018 
1 1 1 23  8  22 o 280.9968 14.94637 2356.913       245.4271 2941.178       378.8520 1934.401       322.1694 311.4846 20.85898 251.8452 22.03394 59.63934       30.34125 
1 1 1 23  8  23 o 130.1821 29.72968 547.0319       221.9844 739.2387       328.2161 384.9856       301.3665 148.6809 37.61740 111.3072 38.22789 37.37370       53.63246 
1 1 1 23  8  24 o 241.2517 17.57323 1756.267       246.9357 1705.001       361.8231 1800.963       337.8481 233.3537 26.93169 241.3421 24.19516 -7.988449      36.20390 
1 1 1 23  8  25 o 266.8063 16.31976 2142.721       254.1428 2102.905       368.5729 2178.811       350.9021 260.2127 24.43753 265.8926 22.71991 -5.679901      33.36745 
1 1 1 23  8  26 o 150.4333 24.36815 716.6779       207.6411 520.6605       294.9161 909.3618       292.3977 123.3898 37.46770 166.3458 31.11525 -42.95602      48.70306 
1 1 1 23  8  27 o 203.2297 17.54444 1261.869       207.0657 1385.658       301.6510 1151.563       284.7496 208.8163 25.13635 189.4485 26.33983 19.36781       36.40910 
1 1 1 23  8  28 o 109.9558 30.21413 410.1970       200.8206 284.9251       292.2198 522.3073       276.4429 97.20536 37.01313 121.4674 36.13935 -24.26200      51.73030 
1 1 1 23  8  29 f 58.26143 26.34478 -64.30451      192.4534 -388.0997      274.7409 247.6492       269.6704 55.34378 26.88006 91.84831 35.40898 -36.50453      44.45597 
1 1 1 23  8  30 o 70.65780 28.18292 112.3718       175.8503 221.7488       264.4459 25.66452       235.4515 88.55765 34.80044 70.13243 30.54373 18.42522       46.30324 
1 1 1 23  8  31 o 78.47296 29.14326 182.4563       178.7144 39.85083       262.3474 305.9312       244.1169 73.73875 32.17561 95.26662 34.26593 -21.52787      47.00451 
1 1 1 23  8  32 o 136.5296 22.05072 605.6237       170.5482 593.9021       265.2021 613.8898       222.7081 126.6304 34.69129 132.7306 29.38640 -6.100227      45.46478 
1 1 1 23  8  33 o 81.21559 29.22246 214.0141       177.5625 105.5012       266.5377 300.5974       238.0867 77.38660 33.08845 92.91559 33.78244 -15.52898      47.28741 
1 1 1 23  8  34 o 115.9494 33.00212 502.1149       235.1389 0.000000       0.000000 502.1149       235.1389 ?        ?        115.9494 33.00212 0.000000       33.00212 
1 1 1 23  8  35 o 58.20813 25.78504 -4.175740      174.4285 288.1870       263.4907 -232.2461      232.7227 90.84507 35.00652 53.74570 25.75858 37.09937       43.46218 
1 1 1 23  8  36 o 109.1759 27.63494 426.4697       177.0757 308.6259       272.1962 512.9349       233.1575 92.14146 35.56054 115.8063 32.82988 -23.66483      48.39787 
1 1 1 23  8  37 o 87.58058 29.11166 276.8060       174.7360 164.4996       267.6249 360.2565       230.6953 79.50055 33.53889 96.86285 33.43944 -17.36230      47.36089 
1 1 1 23  8  38 o 91.16161 29.00047 306.0945       174.4272 329.0936       288.0817 292.7828       219.1678 92.74368 36.35918 88.81003 32.39397 3.933647       48.69661 
1 1 1 23  8  39 o 84.85748 29.94224 262.3983       185.5430 -182.9529      285.0362 589.8642       244.4171 61.08391 29.06248 122.2494 33.22776 -61.16552      44.14421 
1 1 1 23  8  40 o 58.17171 26.04314 -4.656233      182.8493 -0.4358861     260.0100 -8.785500      257.1891 66.92981 30.40619 66.19187 30.13717 0.7379379      42.81104 
1 1 1 23  9  0  o 261.5255 13.35285 2026.785       204.1262 2210.964       287.0501 1838.369       290.3341 272.0221 18.09587 247.3559 20.18905 24.66621       27.11196 
1 1 1 23  9  1  o 530.8904 12.61769 8323.781       392.8578 8725.826       645.8344 8087.637       494.9633 540.1030 20.42572 521.8690 16.19149 18.23395       26.06481 
1 1 1 23  9  2  o 219.6777 15.85316 1438.256       202.8716 1559.420       280.7777 1305.909       293.4490 227.3660 21.30466 206.8830 24.67121 20.48308       32.59689 
1 1 1 23  9  3  o 296.6580 16.11361 2618.284       279.2968 2431.812       325.9288 3133.682       541.8613 284.8703 19.62854 319.6242 29.22988 -34.75385      35.20889 
1 1 1 23  9  4  o 207.3161 20.53801 1296.112       246.4348 1405.169       282.7522 951.4958       502.6274 215.2935 22.73667 168.7655 48.32084 46.52803       53.40280 
1 1 1 23  9  5  o 128.2418 33.06361 524.5704       250.2657 305.4320       287.8171 1203.845       506.7343 104.6310 37.25605 190.3295 45.92736 -85.69849      59.13828 
1 1 1 23  9  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  9  o 381.4297 25.27490 4404.410       562.2094 4404.410       562.2094 0.000000       0.000000 381.4297 25.27490 ?        ?        0.000000       25.27490 
1 1 1 23  9  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  11 o 83.53601 39.04905 -391.2419      474.7924 -391.2419      474.7924 0.000000       0.000000 83.53601 39.04905 ?        ?        0.000000       39.04905 
1 1 1 23  9  12 o 201.9837 31.08256 1271.033       356.4124 1271.033       356.4124 0.000000       0.000000 201.9837 31.08256 ?        ?        0.000000       31.08256 
1 1 1 23  9  13 o 441.2748 23.39681 5860.906       603.3391 5860.906       603.3391 0.000000       0.000000 441.2748 23.39681 ?        ?        0.000000       23.39681 
1 1 1 23  9  14 o 168.7182 48.32930 948.7918       502.6928 948.7918       502.6928 0.000000       0.000000 168.7182 48.32930 ?        ?        0.000000       48.32930 
1 1 1 23  9  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  9  16 o 155.2090 30.87717 761.6548       271.1711 978.5767       333.0250 334.8338       467.1410 175.4491 33.58786 118.8357 46.38416 56.61342       57.26809 
1 1 1 23  9  17 o 445.3017 12.84157 5868.287       335.0188 5747.227       412.9745 6101.307       572.9539 439.5559 16.04679 450.2588 21.76180 -10.70294      27.03840 
1 1 1 23  9  18 o 139.8037 32.84870 628.5421       264.7356 1041.900       330.1497 -115.9249      443.0684 181.1936 32.25059 90.47913 40.52095 90.71445       51.78850 
1 1 1 23  9  19 o 173.7641 41.45201 1008.111       416.5019 1008.111       416.5019 0.000000       0.000000 173.7641 41.45201 ?        ?        0.000000       41.45201 
1 1 1 23  9  20 o 167.0533 23.67416 861.8647       225.4526 674.5134       300.7184 1102.325       340.6850 143.3295 35.86493 185.6433 32.47326 -42.31377      48.38187 
1 1 1 23  9  21 o 154.6662 27.00263 753.5150       236.0289 790.3666       349.7321 722.6906       319.8556 153.8412 38.78009 147.6896 37.00700 6.151611       53.60423 
1 1 1 23  9  22 o 168.5919 23.97008 881.7426       230.3341 1004.729       351.1108 788.8286       305.1803 175.0824 35.41221 155.1143 34.44423 19.96809       49.40070 
1 1 1 23  9  23 o 186.0034 22.03324 1063.788       235.6909 406.7421       356.5263 1573.830       314.1208 115.3637 41.42083 225.7607 24.09664 -110.3969      47.92007 
1 1 1 23  9  24 o 310.0858 14.42068 2873.045       261.5334 2704.943       385.9306 3015.802       355.6505 297.0327 22.31732 315.4116 19.31896 -18.37891      29.51753 
1 1 1 23  9  25 o 131.5423 28.78054 563.0624       215.8450 362.0739       334.9822 705.7522       282.2490 109.0556 40.00547 145.3579 33.75721 -36.30228      52.34488 
1 1 1 23  9  26 o 74.92036 29.88247 115.1139       197.6947 328.4702       295.9020 -56.90639      265.6960 103.1590 37.63814 70.31096 31.44175 32.84802       49.04298 
1 1 1 23  9  27 o 91.61274 30.57126 269.1191       192.6595 288.0305       279.5485 252.0108       265.8880 97.52642 36.40437 93.36748 35.36335 4.158943       50.75278 
1 1 1 23  9  28 o 77.64587 30.28976 150.9470       199.1141 154.2761       280.6057 147.5708       282.5845 85.15267 34.99826 84.80016 35.01460 0.3525085      49.50657 
1 1 1 23  9  29 o 63.51145 27.33132 23.75627       184.0475 294.4791       274.6038 -197.0356      247.9909 96.17333 36.04396 59.10183 27.81516 37.07151       45.52857 
1 1 1 23  9  30 o 56.10543 25.32731 -55.12680      177.0013 -242.9821      266.5410 93.06551       236.7365 59.36053 28.20283 75.24441 31.63225 -15.88387      42.37923 
1 1 1 23  9  31 o 143.7995 22.21859 668.5906       181.3473 772.7291       267.5460 580.0811       246.6536 148.1413 31.74899 127.0806 32.85484 21.06067       45.68850 
1 1 1 23  9  32 o 54.34954 24.45660 -41.41431      163.5394 -191.7909      264.8125 51.29658       207.9283 60.57021 28.57883 67.76659 29.10488 -7.196377      40.79024 
1 1 1 23  9  33 o 95.01088 29.60698 319.2177       182.6974 370.9605       271.8728 276.6118       246.7034 100.3223 36.15165 90.51402 34.11244 9.808311       49.70514 
1 1 1 23  9  34 o 55.29554 24.96682 -41.35847      172.1010 120.1105       255.7480 -174.9918      232.6618 76.88966 32.62778 56.49844 26.69698 20.39123       42.15805 
1 1 1 23  9  35 o 77.52170 31.61118 162.3363       226.6688 0.000000       0.000000 162.3363       226.6688 ?        ?        77.52170 31.61118 0.000000       31.61118 
1 1 1 23  9  36 o 59.75776 25.97500 27.91213       169.5905 275.4091       274.6292 -124.6425      215.6128 88.98431 35.30878 56.03130 26.23172 32.95300       43.98651 
1 1 1 23  9  37 f 81.38760 28.58024 231.0476       168.8996 235.8910       272.4834 228.0256       215.2360 85.15652 34.68352 82.27149 31.65569 2.885025       46.95774 
1 1 1 23  9  38 o 72.57745 28.42092 159.1855       175.8526 222.1823       288.7407 122.0409       221.7157 84.01821 35.10110 72.38105 30.53074 11.63716       46.52111 
1 1 1 23  9  39 o 56.44854 25.43322 -21.25245      177.4973 85.10274       289.8052 -85.09839      224.5399 74.70507 33.15689 58.66314 27.23038 16.04193       42.90540 
1 1 1 23  10 0  o 311.4101 12.25139 2867.679       223.3162 3050.979       322.1009 2698.018       309.8867 319.9368 17.22989 300.6850 17.65041 19.25180       24.66589 
1 1 1 23  10 1  o 90.75816 29.06808 247.2342       175.0092 241.7780       230.6760 254.6342       268.6400 93.85881 33.36034 98.16695 35.85534 -4.308144      48.97466 
1 1 1 23  10 2  o 145.2047 22.47798 646.2538       185.2408 939.5347       248.6158 280.2435       277.7368 174.9288 24.93890 101.4002 36.53952 73.52854       44.23896 
1 1 1 23  10 3  o 102.8138 32.40437 323.6278       218.2257 241.7955       245.7178 629.1645       474.7947 95.06017 34.35371 141.5097 47.99667 -46.44955      59.02422 
1 1 1 23  10 4  o 358.6764 16.09428 3824.256       337.6892 3999.322       407.4751 3440.359       603.4045 365.8243 19.05803 333.9765 31.16632 31.84781       36.53147 
1 1 1 23  10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  10 6  o 83.92498 37.06392 -67.76041      357.7503 -67.76041      357.7503 0.000000       0.000000 83.92498 37.06392 ?        ?        0.000000       37.06392 
1 1 1 23  10 7  o 105.8228 40.85555 258.5459       359.3871 258.5459       359.3871 0.000000       0.000000 105.8228 40.85555 ?        ?        0.000000       40.85555 
1 1 1 23  10 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  10 9  o 225.9764 33.45353 1599.481       429.9834 1599.481       429.9834 0.000000       0.000000 225.9764 33.45353 ?        ?        0.000000       33.45353 
1 1 1 23  10 10 o 318.2375 27.12402 3084.999       501.4191 3084.999       501.4191 0.000000       0.000000 318.2375 27.12402 ?        ?        0.000000       27.12402 
1 1 1 23  10 11 o 261.9276 23.10622 2073.129       351.3090 2073.129       351.3090 0.000000       0.000000 261.9276 23.10622 ?        ?        0.000000       23.10622 
1 1 1 23  10 12 o 392.6386 18.26078 4595.718       419.3454 4595.718       419.3454 0.000000       0.000000 392.6386 18.26078 ?        ?        0.000000       18.26078 
1 1 1 23  10 13 o 300.6933 31.92293 2797.112       554.3676 2797.112       554.3676 0.000000       0.000000 300.6933 31.92293 ?        ?        0.000000       31.92293 
1 1 1 23  10 14 o 440.7013 17.21527 5780.252       444.0916 5780.252       444.0916 0.000000       0.000000 440.7013 17.21527 ?        ?        0.000000       17.21527 
1 1 1 23  10 15 o 87.39680 40.39840 -312.7574      486.5255 -312.7574      486.5255 0.000000       0.000000 87.39680 40.39840 ?        ?        0.000000       40.39840 
1 1 1 23  10 16 o 59.14847 29.04805 -665.5259      347.7285 -564.7787      487.5538 -769.8285      496.0819 78.86472 37.65775 74.16745 36.04494 4.697273       52.12815 
1 1 1 23  10 17 o 347.2800 18.57947 3610.562       377.0334 3610.562       377.0334 0.000000       0.000000 347.2800 18.57947 ?        ?        0.000000       18.57947 
1 1 1 23  10 18 o 151.0184 45.20300 764.8851       431.4872 764.8851       431.4872 0.000000       0.000000 151.0184 45.20300 ?        ?        0.000000       45.20300 
1 1 1 23  10 19 o 255.8305 17.91398 1965.993       267.0800 2068.641       341.7083 1804.832       428.1660 260.6713 22.57405 239.3735 31.24397 21.29784       38.54573 
1 1 1 23  10 20 o 87.45644 32.27916 200.5864       218.6368 690.5399       295.1764 -394.9527      325.4312 145.1112 35.07590 64.11378 30.65562 80.99744       46.58418 
1 1 1 23  10 21 o 123.4573 30.12103 492.0987       216.1263 762.6196       291.3965 161.3202       322.2200 152.9802 33.41611 93.32637 37.82491 59.65379       50.47138 
1 1 1 23  10 22 o 51.61146 24.87007 -318.1546      223.7904 -131.3770      343.1957 -456.3239      295.1788 77.39706 35.07088 57.57507 27.94010 19.82199       44.83989 
1 1 1 23  10 23 f 349.5175 20.57611 3710.918       419.9110 3710.918       419.9110 0.000000       0.000000 349.5175 20.57611 ?        ?        0.000000       20.57611 
1 1 1 23  10 24 o 159.9529 25.55897 808.0048       231.6984 725.2374       370.8365 861.0050       296.7505 144.4869 41.54807 162.0000 32.36694 -17.51308      52.66746 
1 1 1 23  10 25 o 54.35737 25.79807 -237.6148      221.8485 -683.4514      337.1592 102.7946       294.6103 56.14985 27.76928 84.69154 35.42455 -28.54169      45.01146 
1 1 1 23  10 26 o 59.25102 26.99832 -95.39478      206.9225 -164.5947      313.4003 -41.91511      275.5123 70.39087 32.49708 72.19904 32.16958 -1.808174      45.72682 
1 1 1 23  10 27 o 197.4529 18.67020 1202.922       213.6361 907.6463       312.5919 1461.720       292.6475 162.3316 33.92841 214.7703 23.62342 -52.43866      41.34251 
1 1 1 23  10 28 o 171.5373 19.98246 921.2092       197.2690 1003.134       283.9889 844.8195       274.2281 173.4898 28.92921 157.7179 30.75213 15.77188       42.22076 
1 1 1 23  10 29 o 49.40594 23.33073 -165.2755      177.1642 -181.1203      264.2247 -152.3336      238.7966 61.95152 29.01473 59.86175 27.88641 2.089775       40.24309 
1 1 1 23  10 30 o 73.21688 28.47269 138.1884       175.5045 28.87866       268.2809 219.9640       232.0452 73.77764 32.35639 86.06599 32.93118 -12.28835      46.16707 
1 1 1 23  10 31 f 90.44234 29.24005 279.0748       176.8036 100.8089       266.4703 419.2746       236.3134 77.92953 33.19537 107.5630 33.69545 -29.63343      47.30028 
1 1 1 23  10 32 o 129.9262 25.07183 567.9587       184.1229 268.5593       271.7232 822.1392       250.3644 90.96599 35.41311 154.0441 28.77031 -63.07814      45.62696 
1 1 1 23  10 33 o 47.00792 22.54739 -205.3181      179.1084 -439.9467      270.4713 -22.07123      239.0281 51.88118 25.50690 65.81324 29.59518 -13.93206      39.07015 
1 1 1 23  10 34 o 57.61491 25.50213 -5.656993      170.2933 27.19863       261.2133 -29.94309      224.5791 70.84350 31.45889 63.20900 28.53195 7.634499       42.47039 
1 1 1 23  10 35 o 100.8730 28.13054 365.9996       172.6607 504.4272       278.9349 280.0128       219.8403 111.8611 36.76518 88.67308 32.42807 23.18799       49.02304 
1 1 1 23  10 36 o 76.00443 29.50183 178.6301       188.1499 -40.14870      299.6917 320.9604       241.7245 69.69804 32.03252 92.55015 33.97811 -22.85211      46.69684 
1 1 1 23  10 37 o 125.5738 26.43912 557.1320       188.5476 640.6132       293.5051 498.4747       246.0270 123.9465 37.32280 111.9033 34.26950 12.04328       50.66942 
1 1 1 23  10 38 o 58.39021 26.28390 -16.46563      189.0746 192.7715       300.4350 -153.6842      243.2975 82.29586 35.15701 57.62358 27.25012 24.67228       44.48128 
1 1 1 23  10 39 o 182.4231 19.24141 1082.482       202.7602 1019.460       311.9178 1128.600       266.8260 161.3890 34.02811 179.3122 26.14155 -17.92320      42.91029 
1 1 1 23  11 0  o 212.7918 15.95107 1350.678       197.6164 1428.791       239.6694 1184.794       349.2644 218.1582 18.91913 194.3646 31.73382 23.79355       36.94549 
1 1 1 23  11 1  o 243.4539 14.30478 1760.294       203.3436 1633.745       266.8409 1935.559       314.0298 233.1740 19.69695 253.4321 21.32568 -20.25807      29.03024 
1 1 1 23  11 2  o 396.7100 12.51509 4652.734       290.8132 5009.958       439.2766 4374.011       388.0203 409.7938 18.32408 383.2069 17.30985 26.58682       25.20719 
1 1 1 23  11 3  o 282.5485 17.54131 2382.798       289.2401 2634.966       343.4986 1768.308       536.2130 296.4585 19.87129 234.2804 40.48977 62.17807       45.10310 
1 1 1 23  11 4  o 244.8127 39.85784 1922.031       552.5975 0.000000       0.000000 1922.031       552.5975 ?        ?        244.8127 39.85784 0.000000       39.85784 
1 1 1 23  11 5  o 61.00245 29.03574 -340.6715      285.1083 -340.6715      285.1083 0.000000       0.000000 61.00245 29.03574 ?        ?        0.000000       29.03574 
1 1 1 23  11 6  o 203.4465 30.72812 1289.568       355.2202 1289.568       355.2202 0.000000       0.000000 203.4465 30.72812 ?        ?        0.000000       30.72812 
1 1 1 23  11 7  o 123.3041 42.85294 452.0466       379.1379 452.0466       379.1379 0.000000       0.000000 123.3041 42.85294 ?        ?        0.000000       42.85294 
1 1 1 23  11 8  o 147.8212 42.98513 711.5620       394.8881 711.5620       394.8881 0.000000       0.000000 147.8212 42.98513 ?        ?        0.000000       42.98513 
1 1 1 23  11 9  o 158.6883 41.69977 823.0865       393.0772 823.0865       393.0772 0.000000       0.000000 158.6883 41.69977 ?        ?        0.000000       41.69977 
1 1 1 23  11 10 o 411.3349 23.77618 5099.489       571.1279 5099.489       571.1279 0.000000       0.000000 411.3349 23.77618 ?        ?        0.000000       23.77618 
1 1 1 23  11 11 o 439.8810 23.92268 5831.747       614.8343 5831.747       614.8343 0.000000       0.000000 439.8810 23.92268 ?        ?        0.000000       23.92268 
1 1 1 23  11 12 o 330.6399 19.75720 3272.252       381.3694 3272.252       381.3694 0.000000       0.000000 330.6399 19.75720 ?        ?        0.000000       19.75720 
1 1 1 23  11 13 o 300.3828 21.35330 2713.299       373.7229 2713.299       373.7229 0.000000       0.000000 300.3828 21.35330 ?        ?        0.000000       21.35330 
1 1 1 23  11 14 o 340.5955 26.24122 3530.558       520.1329 3530.558       520.1329 0.000000       0.000000 340.5955 26.24122 ?        ?        0.000000       26.24122 
1 1 1 23  11 15 o 164.7061 33.85210 867.3152       316.0613 867.3152       316.0613 0.000000       0.000000 164.7061 33.85210 ?        ?        0.000000       33.85210 
1 1 1 23  11 16 o 118.0463 39.66140 427.8734       324.1992 404.6453       454.3750 451.9617       462.7125 122.4427 46.26182 126.3482 46.89921 -3.905502      65.87634 
1 1 1 23  11 17 o 316.7570 19.91634 3017.800       368.1141 2831.085       524.8485 3198.579       516.4374 302.0092 30.02958 322.5286 27.56630 -20.51938      40.76367 
1 1 1 23  11 18 o 155.2454 30.41565 767.8901       267.0184 725.6427       327.9142 851.0333       460.0171 148.3691 37.63377 157.9742 46.52223 -9.605103      59.83827 
1 1 1 23  11 19 o 283.2273 16.01853 2397.928       264.9930 2088.056       319.7048 3078.133       473.6718 262.4428 20.94499 316.4723 25.74275 -54.02951      33.18708 
1 1 1 23  11 20 o 188.2587 29.13465 1119.310       311.2929 1119.310       311.2929 0.000000       0.000000 188.2587 29.13465 ?        ?        0.000000       29.13465 
1 1 1 23  11 21 o 147.5114 29.01632 695.5490       242.0785 1177.792       348.5683 246.2428       336.4545 191.5131 32.17377 100.9846 39.37970 90.52845       50.85186 
1 1 1 23  11 22 o 199.3696 21.32107 1217.146       245.4318 1592.671       357.6063 882.7485       337.4555 225.3466 27.63639 163.0457 36.23083 62.30098       45.56801 
1 1 1 23  11 23 o 274.3343 15.31283 2255.583       245.3913 2334.296       329.3719 2157.385       367.8847 276.7985 20.43360 264.1774 24.00653 12.62109       31.52531 
1 1 1 23  11 24 o 70.73867 30.60638 7.458372       233.2496 199.7530       354.1761 -139.8185      309.9580 97.33134 39.57956 72.02671 32.90526 25.30463       51.47132 
1 1 1 23  11 25 o 43.03584 21.37306 -474.0623      207.7328 -660.5424      333.9545 -356.3668      265.3085 56.13614 27.73949 56.01870 27.01511 0.1174431      38.72074 
1 1 1 23  11 26 o 165.5859 21.86048 861.2243       207.1111 1218.761       320.7428 605.5342       271.2399 192.8208 29.28246 132.2145 34.58950 60.60622       45.31992 
1 1 1 23  11 27 o 121.4479 29.46855 499.1938       207.7323 794.7038       312.7308 265.8441       277.8998 149.6310 36.06321 94.49795 36.06764 55.13302       51.00421 
1 1 1 23  11 28 o 70.42908 29.22491 81.27162       198.2039 309.9330       293.8770 -109.5340      268.4508 98.48162 37.20564 66.26257 30.40320 32.21905       48.04803 
1 1 1 23  11 29 o 74.83946 29.11629 144.7623       183.5905 257.7197       296.9522 74.87195       233.5811 93.36105 36.81940 73.51458 31.18809 19.84647       48.25313 
1 1 1 23  11 30 f 152.2771 20.72610 739.0903       180.2986 741.6718       290.2299 737.4679       230.0810 142.6955 34.95993 147.8314 27.55110 -5.135864      44.51134 
1 1 1 23  11 31 o 85.56604 29.51841 244.1157       179.7538 547.0770       302.4191 78.60775       223.5244 119.0126 38.22052 71.80673 30.48827 47.20589       48.89113 
1 1 1 23  11 32 o 152.5259 21.21641 753.0506       184.6562 538.8467       287.7123 903.0884       240.7937 117.6669 37.22330 163.6734 25.94986 -46.00648      45.37587 
1 1 1 23  11 33 o 107.4289 27.79284 406.8409       176.4240 406.2546       275.0669 407.2507       229.9528 103.2406 36.45451 104.4574 33.30560 -1.216797      49.37807 
1 1 1 23  11 34 o 60.36208 26.79971 -2.952446      189.4847 167.0690       304.9304 -109.9030      241.8468 83.10437 35.45837 60.62962 28.18317 22.47475       45.29445 
1 1 1 23  11 35 o 88.30122 29.59074 279.7774       180.4729 252.5693       285.3210 297.9229       233.0067 87.70445 35.57616 90.54350 33.33971 -2.839043      48.75653 
1 1 1 23  11 36 o 46.21504 22.36862 -235.6342      186.0257 -212.8922      286.6360 -252.1835      244.5160 60.64214 28.93375 54.02367 26.02331 6.618469       38.91497 
1 1 1 23  11 37 o 56.34388 25.73011 -49.74474      189.2695 -248.3474      309.4448 68.96310       239.2381 61.42847 29.50923 69.99746 30.63045 -8.568993      42.53257 
1 1 1 23  11 38 o 121.2225 28.17639 537.3828       196.5004 448.6342       321.2379 590.4445       248.3914 102.0465 38.81906 121.8104 33.65422 -19.76386      51.37632 
1 1 1 23  11 39 f 124.2168 27.35588 559.6534       193.8899 694.2658       307.9244 471.2201       249.5798 126.2078 38.27718 106.9568 34.75335 19.25093       51.70047 
1 1 1 23  12 0  f 396.3240 12.04205 4641.325       279.5743 4812.271       412.2014 4495.693       380.4589 401.8645 17.53176 388.6747 16.72974 13.18982       24.23318 
1 1 1 23  12 1  o 311.1265 12.97781 2865.569       236.2840 2932.110       321.0254 2786.908       349.0421 313.5166 17.52916 304.9755 19.61879 8.541107       26.30909 
1 1 1 23  12 2  o 179.6351 19.60408 973.7497       203.1842 1215.698       266.7040 639.0945       313.6660 199.9165 23.17623 140.6398 37.38852 59.27678       43.98907 
1 1 1 23  12 3  o 193.0593 32.33586 1171.438       353.1862 0.000000       0.000000 1171.438       353.1862 ?        ?        193.0593 32.33586 0.000000       32.33586 
1 1 1 23  12 4  o 195.2377 28.75658 1181.399       319.4182 1181.399       319.4182 0.000000       0.000000 195.2377 28.75658 ?        ?        0.000000       28.75658 
1 1 1 23  12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  12 6  o 163.4985 36.34503 859.0396       339.4764 859.0396       339.4764 0.000000       0.000000 163.4985 36.34503 ?        ?        0.000000       36.34503 
1 1 1 23  12 7  o 251.1147 26.52958 1925.885       384.8089 1925.885       384.8089 0.000000       0.000000 251.1147 26.52958 ?        ?        0.000000       26.52958 
1 1 1 23  12 8  o 107.4970 40.91846 280.9756       357.0652 280.9756       357.0652 0.000000       0.000000 107.4970 40.91846 ?        ?        0.000000       40.91846 
1 1 1 23  12 9  o 226.8150 31.75121 1601.176       410.8052 1601.176       410.8052 0.000000       0.000000 226.8150 31.75121 ?        ?        0.000000       31.75121 
1 1 1 23  12 10 o 356.5914 23.56447 3835.333       490.0469 3835.333       490.0469 0.000000       0.000000 356.5914 23.56447 ?        ?        0.000000       23.56447 
1 1 1 23  12 11 o 103.5801 39.18625 263.1307       326.2611 263.1307       326.2611 0.000000       0.000000 103.5801 39.18625 ?        ?        0.000000       39.18625 
1 1 1 23  12 12 o 291.9204 20.74003 2559.930       352.7661 2559.930       352.7661 0.000000       0.000000 291.9204 20.74003 ?        ?        0.000000       20.74003 
1 1 1 23  12 13 o 364.4452 16.92870 3955.599       360.8428 3955.599       360.8428 0.000000       0.000000 364.4452 16.92870 ?        ?        0.000000       16.92870 
1 1 1 23  12 14 o 181.0286 30.44831 1028.506       311.8042 1028.506       311.8042 0.000000       0.000000 181.0286 30.44831 ?        ?        0.000000       30.44831 
1 1 1 23  12 15 o 195.4504 25.69384 1176.111       287.3951 1176.111       287.3951 0.000000       0.000000 195.4504 25.69384 ?        ?        0.000000       25.69384 
1 1 1 23  12 16 o 173.0168 28.94087 939.1291       283.3000 939.1291       283.3000 0.000000       0.000000 173.0168 28.94087 ?        ?        0.000000       28.94087 
1 1 1 23  12 17 o 222.4265 20.77064 1499.618       267.8158 1930.687       320.9766 511.8272       485.8840 252.1622 21.92179 130.7839 48.14638 121.3783       52.90216 
1 1 1 23  12 18 o 96.69806 35.05067 259.4244       256.0352 179.3958       314.7156 416.0652       440.2993 94.38299 37.68390 121.1857 45.59371 -26.80273      59.15118 
1 1 1 23  12 19 o 177.1286 24.39730 971.8055       246.7186 868.0031       300.5529 1186.267       432.0078 164.0506 32.38868 188.3881 40.31863 -24.33755      51.71672 
1 1 1 23  12 20 o 139.6668 28.18604 622.1376       222.9066 946.3595       286.0761 121.0915       355.6307 172.5947 29.30922 93.54128 39.00806 79.05345       48.79200 
1 1 1 23  12 21 o 114.8504 31.52695 428.4856       218.7781 525.0661       291.6643 304.2329       330.8195 125.9501 37.03109 105.2113 39.53427 20.73883       54.16881 
1 1 1 23  12 22 o 91.92207 36.70415 179.3643       298.5867 179.3643       298.5867 0.000000       0.000000 91.92207 36.70415 ?        ?        0.000000       36.70415 
1 1 1 23  12 23 o 184.9020 23.72606 1065.490       251.3650 1207.564       381.8551 956.8500       333.9161 190.6525 35.45580 169.6326 34.73434 21.01988       49.63455 
1 1 1 23  12 24 o 118.9621 30.05323 467.3116       209.7135 229.5341       296.8485 704.2300       296.3117 94.83106 36.98669 143.9646 35.35660 -49.13349      51.16741 
1 1 1 23  12 25 o 123.0654 30.41737 507.1311       218.2649 346.1091       331.6091 630.2119       289.9206 105.7301 39.61235 134.6760 36.01017 -28.94590      53.53382 
1 1 1 23  12 26 o 188.8958 19.58532 1107.022       213.8271 1039.956       310.5625 1167.471       294.8437 176.0026 31.23074 189.3793 27.33695 -13.37679      41.50504 
1 1 1 23  12 27 o 82.88931 31.64396 191.3489       213.9425 197.6029       306.5194 185.4080       298.7509 90.19334 36.76682 88.70387 36.24551 1.489471       51.62883 
1 1 1 23  12 28 o 163.6633 23.02685 860.8192       214.9191 926.0544       335.8625 815.5845       279.6764 159.8861 36.60872 153.1893 32.15610 6.696793       48.72589 
1 1 1 23  12 29 o 145.6746 23.47490 689.7772       193.7422 710.2261       316.3958 677.5099       245.0591 137.6499 37.96428 139.7006 30.74567 -2.050735      48.85266 
1 1 1 23  12 30 o 47.04173 22.60949 -223.9723      182.1814 146.2705       311.1148 -417.1785      224.7439 84.80650 35.98695 46.60896 22.97981 38.19754       42.69815 
1 1 1 23  12 31 o 61.43214 26.54915 26.28681       175.1066 42.23119       299.5556 18.01051       215.8200 76.38307 33.81573 66.05844 28.99445 10.32463       44.54416 
1 1 1 23  12 32 o 109.2719 29.68500 427.3164       195.1358 566.9363       315.5627 340.8728       248.3009 118.8702 39.10643 97.00551 34.59730 21.86474       52.21385 
1 1 1 23  12 33 o 67.23642 28.29908 78.53217       189.8263 -235.5221      312.3924 262.3782       239.0150 63.59065 30.30296 88.10367 33.49175 -24.51302      45.16599 
1 1 1 23  12 34 o 64.47224 27.27382 67.17608       177.7762 -81.98798      316.9757 135.6281       214.7272 69.92342 32.42138 74.17960 30.56513 -4.256180      44.55753 
1 1 1 23  12 35 o 64.42896 27.27455 70.14760       177.9916 264.6320       289.9736 -47.42934      225.4639 88.43525 35.86782 61.54418 28.09645 26.89107       45.56216 
1 1 1 23  12 36 o 81.74708 29.40707 232.9124       179.8014 601.6549       298.3242 22.55139       225.3251 119.4391 37.91827 65.71405 29.19745 53.72510       47.85693 
1 1 1 23  12 37 o 68.36429 28.08237 115.4832       180.5330 255.8943       309.3287 42.94963       222.3255 87.11868 36.35880 66.39870 29.27549 20.71997       46.67994 
1 1 1 23  12 38 o 56.93394 26.06353 -50.65901      195.7798 -71.60995      312.7908 -37.16436      251.0343 68.41058 31.88454 64.22527 29.44315 4.185303       43.39957 
1 1 1 23  13 0  o 222.3920 15.52695 1473.415       201.2423 1411.285       252.0249 1582.727       334.2935 216.4867 20.07887 227.6304 25.47727 -11.14371      32.43844 
1 1 1 23  13 1  o 84.31435 30.24941 188.9871       190.1058 202.4220       237.4448 164.9978       317.2888 90.21655 33.57551 94.61903 37.81770 -4.402489      50.57166 
1 1 1 23  13 2  o 105.4623 39.70105 279.3709       333.9489 0.000000       0.000000 279.3709       333.9489 ?        ?        105.4623 39.70105 0.000000       39.70105 
1 1 1 23  13 3  o 126.3692 50.89041 333.9148       579.1232 0.000000       0.000000 333.9148       579.1232 ?        ?        126.3692 50.89041 0.000000       50.89041 
1 1 1 23  13 4  o 264.6634 23.44196 2120.224       360.1043 2120.224       360.1043 0.000000       0.000000 264.6634 23.44196 ?        ?        0.000000       23.44196 
1 1 1 23  13 5  o 52.12984 25.92575 -745.1542      309.9314 -745.1542      309.9314 0.000000       0.000000 52.12984 25.92575 ?        ?        0.000000       25.92575 
1 1 1 23  13 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  13 7  o 228.3972 27.50299 1601.174       360.9957 1601.174       360.9957 0.000000       0.000000 228.3972 27.50299 ?        ?        0.000000       27.50299 
1 1 1 23  13 8  o 305.7043 23.39092 2821.802       416.1870 2821.802       416.1870 0.000000       0.000000 305.7043 23.39092 ?        ?        0.000000       23.39092 
1 1 1 23  13 9  o 411.6294 24.94812 5123.640       599.4472 5123.640       599.4472 0.000000       0.000000 411.6294 24.94812 ?        ?        0.000000       24.94812 
1 1 1 23  13 10 o 371.0139 23.18786 4149.263       502.0242 4149.263       502.0242 0.000000       0.000000 371.0139 23.18786 ?        ?        0.000000       23.18786 
1 1 1 23  13 11 o 112.4918 46.92282 170.1843       514.7817 170.1843       514.7817 0.000000       0.000000 112.4918 46.92282 ?        ?        0.000000       46.92282 
1 1 1 23  13 12 o 150.0563 50.70604 725.7390       529.8850 725.7390       529.8850 0.000000       0.000000 150.0563 50.70604 ?        ?        0.000000       50.70604 
1 1 1 23  13 13 o 483.1921 15.69159 6937.589       444.0798 6937.589       444.0798 0.000000       0.000000 483.1921 15.69159 ?        ?        0.000000       15.69159 
1 1 1 23  13 14 o 212.6277 31.82592 1420.907       384.6864 1420.907       384.6864 0.000000       0.000000 212.6277 31.82592 ?        ?        0.000000       31.82592 
1 1 1 23  13 15 o 103.6109 36.84564 305.8916       281.4267 305.8916       281.4267 0.000000       0.000000 103.6109 36.84564 ?        ?        0.000000       36.84564 
1 1 1 23  13 16 o 195.6378 24.55590 1178.030       275.5562 1178.030       275.5562 0.000000       0.000000 195.6378 24.55590 ?        ?        0.000000       24.55590 
1 1 1 23  13 17 o 78.34367 32.61115 68.08803       247.8996 163.6147       286.1910 -218.9634      496.1049 90.42719 35.99136 90.77283 41.52992 -0.3456421     54.95555 
1 1 1 23  13 18 o 179.3541 23.94476 993.8664       245.5807 1110.841       295.5510 732.9710       441.3865 188.3012 27.58013 146.8021 46.05984 41.49904       53.68587 
1 1 1 23  13 19 o 116.0530 33.12844 437.0952       236.6004 532.9816       290.9645 249.9409       406.5010 127.1452 36.87604 106.5607 42.73235 20.58456       56.44374 
1 1 1 23  13 20 o 269.5476 14.89155 2170.797       234.4957 2299.645       307.5468 1991.865       362.4233 275.8206 19.13082 254.1086 24.62743 21.71202       31.18491 
1 1 1 23  13 21 o 70.08786 30.07654 14.31489       221.6942 345.9848       294.9523 -416.3763      336.1103 106.7826 37.74524 64.39201 30.88609 42.39060       48.77144 
1 1 1 23  13 22 o 377.9832 12.11128 4245.099       268.1342 4425.736       370.1705 4045.697       388.9221 383.8263 16.48276 366.0024 18.17561 17.82385       24.53639 
1 1 1 23  13 23 o 84.65598 31.48086 193.2908       208.6628 161.2851       283.4466 231.1568       308.3057 88.30362 35.58816 96.09496 37.63131 -7.791344      51.79413 
1 1 1 23  13 24 o 74.77907 30.11734 108.1055       202.8512 20.60075       277.1593 209.0540       297.6895 76.58866 33.24927 92.61125 36.75701 -16.02259      49.56402 
1 1 1 23  13 25 o 95.23733 37.64076 241.3342       310.9568 241.3342       310.9568 0.000000       0.000000 95.23733 37.64076 ?        ?        0.000000       37.64076 
1 1 1 23  13 26 o 73.92432 30.72764 88.99431       219.6405 456.7271       317.9157 -246.8123      303.8019 113.5974 39.25330 64.70457 30.55409 48.89280       49.74308 
1 1 1 23  13 27 f 74.47885 30.76938 101.7857       218.3747 -177.8448      330.4887 318.4887       290.9357 70.37053 32.79005 99.08847 37.10780 -28.71794      49.51945 
1 1 1 23  13 28 o 40.93194 20.41766 -473.6070      198.2887 -594.3769      324.9279 -401.9424      250.2995 55.41075 27.37753 51.14941 25.02083 4.261333       37.08870 
1 1 1 23  13 29 f 102.1397 30.48719 364.3389       196.4864 376.1450       341.7163 358.5076       240.1581 103.9982 39.91973 100.8638 34.13615 3.134460       52.52487 
1 1 1 23  13 30 o 186.9754 18.59270 1098.531       201.1826 1048.075       325.5063 1129.718       255.9150 170.4980 33.74778 185.6275 24.07378 -15.12949      41.45431 
1 1 1 23  13 31 o 46.18130 22.23903 -221.4019      178.2602 -268.3011      311.2420 -198.5076      217.4599 62.75152 29.99763 53.51804 25.44052 9.233482       39.33291 
1 1 1 23  13 32 o 140.6985 24.17119 662.9444       192.2672 660.3015       344.3357 664.1417       231.7613 125.9228 40.81369 136.5716 29.77698 -10.64884      50.52154 
1 1 1 23  13 33 o 59.96706 26.43699 6.071147       181.2585 -199.0011      337.8030 88.98872       214.7996 67.33777 31.92223 70.47277 29.90321 -3.135002      43.74049 
1 1 1 23  13 34 o 113.3089 27.79166 459.1975       183.2571 520.1473       326.1426 431.0755       221.5363 110.9984 39.64424 106.4042 32.50642 4.594254       51.26727 
1 1 1 23  13 35 o 74.91682 28.62144 176.2308       175.1079 464.2254       286.2275 3.969270       221.3672 106.1607 37.21118 64.14614 28.69108 42.01456       46.98777 
1 1 1 23  13 36 o 74.86118 28.09273 181.6754       166.9260 -72.37650      277.5024 325.7232       208.9579 65.55116 30.37378 92.80921 31.83332 -27.25805      43.99916 
1 1 1 23  13 37 o 105.3628 28.07827 408.8714       176.6330 447.9710       302.3209 388.6072       217.6438 102.4986 37.93455 99.57413 32.46080 2.924522       49.92728 
1 1 1 23  13 38 o 76.86123 29.26340 197.4268       182.6492 213.9108       282.5107 185.5883       239.4156 82.59695 34.62855 78.37971 32.28292 4.217239       47.34262 
1 1 1 23  14 0  o 295.9727 13.85530 2597.036       239.8342 2692.369       312.7283 2460.895       373.7157 300.3063 17.83664 285.5524 22.49701 14.75397       28.70995 
1 1 1 23  14 1  f 62.53425 27.42601 -36.26760      192.7595 -58.20771      229.3087 16.57808       355.8820 66.93796 29.61260 88.53133 38.05079 -21.59338      48.21585 
1 1 1 23  14 2  o 234.8929 30.36565 1709.853       408.5364 0.000000       0.000000 1709.853       408.5364 ?        ?        234.8929 30.36565 0.000000       30.36565 
1 1 1 23  14 3  o 175.0088 49.34814 1029.511       528.2512 0.000000       0.000000 1029.511       528.2512 ?        ?        175.0088 49.34814 0.000000       49.34814 
1 1 1 23  14 4  o 64.56391 28.99355 -92.76881      228.5318 31.59701       257.8355 -548.4982      493.5666 77.54501 32.82688 80.32528 38.22455 -2.780273      50.38572 
1 1 1 23  14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  14 6  o 167.9326 33.04051 893.4604       313.8150 893.4604       313.8150 0.000000       0.000000 167.9326 33.04051 ?        ?        0.000000       33.04051 
1 1 1 23  14 7  o 219.9613 27.03091 1484.827       341.3808 1484.827       341.3808 0.000000       0.000000 219.9613 27.03091 ?        ?        0.000000       27.03091 
1 1 1 23  14 8  o 157.4973 37.66195 802.3039       343.1707 802.3039       343.1707 0.000000       0.000000 157.4973 37.66195 ?        ?        0.000000       37.66195 
1 1 1 23  14 9  o 102.5748 36.47310 293.4105       275.7574 293.4105       275.7574 0.000000       0.000000 102.5748 36.47310 ?        ?        0.000000       36.47310 
1 1 1 23  14 10 o 246.1526 43.64188 1977.507       606.9607 1977.507       606.9607 0.000000       0.000000 246.1526 43.64188 ?        ?        0.000000       43.64188 
1 1 1 23  14 11 o 383.0054 23.99023 4437.061       536.1708 4437.061       536.1708 0.000000       0.000000 383.0054 23.99023 ?        ?        0.000000       23.99023 
1 1 1 23  14 12 o 471.0877 21.31941 6670.144       587.4900 6670.144       587.4900 0.000000       0.000000 471.0877 21.31941 ?        ?        0.000000       21.31941 
1 1 1 23  14 13 o 317.6287 21.71457 3044.794       402.0699 3044.794       402.0699 0.000000       0.000000 317.6287 21.71457 ?        ?        0.000000       21.71457 
1 1 1 23  14 14 o 199.2908 24.71815 1220.057       282.7151 1220.057       282.7151 0.000000       0.000000 199.2908 24.71815 ?        ?        0.000000       24.71815 
1 1 1 23  14 15 o 363.7078 21.64954 3998.844       459.7081 3998.844       459.7081 0.000000       0.000000 363.7078 21.64954 ?        ?        0.000000       21.64954 
1 1 1 23  14 16 o 99.04758 36.35469 268.1694       276.6947 268.1694       276.6947 0.000000       0.000000 99.04758 36.35469 ?        ?        0.000000       36.35469 
1 1 1 23  14 17 o 259.6245 16.60994 2020.087       251.5825 1769.944       288.6786 2810.067       513.0131 241.5462 20.57374 299.8861 29.55262 -58.33995      36.00883 
1 1 1 23  14 18 o 108.4053 33.61134 374.9492       235.7874 323.1187       275.9208 515.2622       453.9842 104.0979 36.53150 128.5224 46.66071 -24.42448      59.26021 
1 1 1 23  14 19 o 251.4756 16.39286 1897.599       240.4515 2002.820       298.0940 1701.629       406.8161 257.0090 19.93242 231.6129 30.70485 25.39618       36.60723 
1 1 1 23  14 20 o 105.2612 32.05651 355.5002       215.6691 415.1456       277.6182 264.7142       342.5063 113.4720 36.63622 102.4978 39.79915 10.97428       54.09422 
1 1 1 23  14 21 o 215.9165 18.79219 1416.183       235.5973 1530.105       309.4426 1259.077       363.3915 222.0736 24.14760 196.8699 32.61439 25.20374       40.58084 
1 1 1 23  14 22 o 98.67216 32.57874 307.7780       218.9374 356.1937       296.8579 250.0352       324.1933 106.9175 37.86006 98.95440 38.63607 7.963081       54.09371 
1 1 1 23  14 23 o 360.8341 12.40473 3881.572       262.1194 3406.204       342.3472 4555.060       407.4904 335.2869 17.47030 387.4862 17.98027 -52.19925      25.06993 
1 1 1 23  14 24 o 57.79440 26.31012 -88.78907      195.9305 -154.6026      264.9654 -9.384185      291.0417 64.42377 29.79121 75.84580 33.46587 -11.42203      44.80492 
1 1 1 23  14 25 f 70.68183 28.99372 86.77248       192.0956 42.05510       267.3443 134.5016       276.2005 75.86317 32.79525 83.49953 34.56036 -7.636360      47.64396 
1 1 1 23  14 26 o 137.0086 24.93352 613.0164       192.9681 514.6772       257.0951 739.8935       292.0264 120.3752 34.58818 144.3922 34.87954 -24.01704      49.12152 
1 1 1 23  14 27 o 90.48921 35.41972 237.2986       273.0271 237.2986       273.0271 0.000000       0.000000 90.48921 35.41972 ?        ?        0.000000       35.41972 
1 1 1 23  14 28 o 95.23167 31.38680 310.4620       203.2409 235.6235       335.2505 353.9493       255.5574 93.33144 38.29568 100.7363 35.17162 -7.404900      51.99617 
1 1 1 23  14 29 o 130.6503 26.62228 577.2915       197.0572 729.6525       319.2002 483.4655       250.4886 138.1352 38.14539 114.7395 34.46355 23.39568       51.40824 
1 1 1 23  14 30 o 66.10472 27.69182 71.50362       180.4400 63.55251       314.3035 75.41248       220.3742 78.86670 34.78907 70.89797 30.19365 7.968727       46.06448 
1 1 1 23  14 31 o 59.86925 27.34866 -67.61440      214.0504 0.000000       0.000000 -67.61440      214.0504 ?        ?        59.86925 27.34866 0.000000       27.34866 
1 1 1 23  14 32 o 44.79370 21.68214 -234.5322      174.8575 -362.9842      309.9629 -174.5729      211.7714 58.84356 28.57323 53.48830 25.33274 5.355251       38.18608 
1 1 1 23  14 33 o 83.08800 29.84840 236.5775       185.1661 31.79002       332.6315 328.5327       222.8948 76.77865 34.68429 94.24025 32.85087 -17.46160      47.77216 
1 1 1 23  14 34 o 67.65610 27.70806 107.2967       175.0818 -353.3345      311.4970 320.0221       211.6835 58.58716 28.49341 92.72940 32.03104 -34.14224      42.87030 
1 1 1 23  14 35 o 70.89938 27.98997 143.3812       171.7678 93.08523       281.2660 173.2955       216.9153 75.31940 33.07834 76.93204 31.08721 -1.612648      45.39374 
1 1 1 23  14 36 o 107.6994 26.38337 415.6711       165.3081 169.4112       284.7216 540.8951       203.0333 80.01799 34.20567 121.1104 28.97404 -41.09236      44.82770 
1 1 1 23  14 37 o 75.59156 28.65516 188.7488       174.6701 317.8885       321.5607 134.6960       208.0379 91.42391 37.50850 72.12023 29.93516 19.30368       47.98959 
1 1 1 23  14 38 o 166.6161 19.88046 913.2944       190.4365 588.1541       313.9855 1102.502       239.5207 114.2592 39.02654 179.8021 23.25861 -65.54292      45.43163 
1 1 1 23  15 0  o 348.9744 15.25642 3616.049       311.4913 3719.074       363.1137 3329.004       606.1005 353.2053 17.58461 328.0108 31.90977 25.19452       36.43422 
1 1 1 23  15 1  o 262.4359 26.65930 2104.386       404.6315 0.000000       0.000000 2104.386       404.6315 ?        ?        262.4359 26.65930 0.000000       26.65930 
1 1 1 23  15 2  o 180.8788 56.65464 1121.334       668.0854 0.000000       0.000000 1121.334       668.0854 ?        ?        180.8788 56.65464 0.000000       56.65464 
1 1 1 23  15 3  f 351.1972 15.43454 3662.689       317.1271 3526.946       378.9261 3980.054       579.3967 343.5470 18.87951 361.3010 27.55141 -17.75406      33.39934 
1 1 1 23  15 4  o 464.2933 15.71122 6399.142       427.1956 6111.452       523.6697 6971.474       738.6171 452.1082 19.79788 479.4230 26.37095 -27.31476      32.97550 
1 1 1 23  15 5  o 416.8723 19.24849 5192.452       469.3279 5192.452       469.3279 0.000000       0.000000 416.8723 19.24849 ?        ?        0.000000       19.24849 
1 1 1 23  15 6  o 536.2126 21.26445 8618.699       667.3898 8618.699       667.3898 0.000000       0.000000 536.2126 21.26445 ?        ?        0.000000       21.26445 
1 1 1 23  15 7  o 158.8369 34.32241 806.4865       310.3801 806.4865       310.3801 0.000000       0.000000 158.8369 34.32241 ?        ?        0.000000       34.32241 
1 1 1 23  15 8  o 228.5187 21.43055 1577.066       283.8627 1577.066       283.8627 0.000000       0.000000 228.5187 21.43055 ?        ?        0.000000       21.43055 
1 1 1 23  15 9  o 306.0309 16.99386 2792.634       303.8079 2792.634       303.8079 0.000000       0.000000 306.0309 16.99386 ?        ?        0.000000       16.99386 
1 1 1 23  15 10 o 404.8569 15.98751 4874.744       378.8596 4874.744       378.8596 0.000000       0.000000 404.8569 15.98751 ?        ?        0.000000       15.98751 
1 1 1 23  15 11 o 304.6080 18.05959 2775.805       321.1782 2775.805       321.1782 0.000000       0.000000 304.6080 18.05959 ?        ?        0.000000       18.05959 
1 1 1 23  15 12 o 135.8839 33.11673 594.3845       261.4706 594.3845       261.4706 0.000000       0.000000 135.8839 33.11673 ?        ?        0.000000       33.11673 
1 1 1 23  15 13 o 206.0117 22.67581 1294.212       269.4459 1294.212       269.4459 0.000000       0.000000 206.0117 22.67581 ?        ?        0.000000       22.67581 
1 1 1 23  15 14 o 232.9083 20.39410 1641.568       275.7657 1641.568       275.7657 0.000000       0.000000 232.9083 20.39410 ?        ?        0.000000       20.39410 
1 1 1 23  15 15 o 215.1094 22.39874 1413.337       278.4408 1413.337       278.4408 0.000000       0.000000 215.1094 22.39874 ?        ?        0.000000       22.39874 
1 1 1 23  15 16 o 110.0576 36.56211 378.0309       275.6292 378.0309       275.6292 0.000000       0.000000 110.0576 36.56211 ?        ?        0.000000       36.56211 
1 1 1 23  15 17 o 133.2292 30.03799 572.1270       229.0805 577.5803       259.4095 552.8111       488.2220 132.8734 33.34580 132.4377 48.34230 0.4356689      58.72751 
1 1 1 23  15 18 o 176.4705 22.74366 960.5966       229.9197 910.6645       266.6738 1105.216       453.8408 169.7778 27.73936 179.2022 43.60338 -9.424454      51.67908 
1 1 1 23  15 19 f 180.7926 21.82468 1005.301       226.7315 725.4567       276.9977 1573.458       394.6860 148.9827 32.60934 222.0255 31.16796 -73.04285      45.10888 
1 1 1 23  15 20 o 230.1597 17.88240 1602.337       239.4899 1822.545       311.8575 1285.790       373.9026 243.6746 22.06081 198.7074 33.25878 44.96719       39.91022 
1 1 1 23  15 21 f 130.7181 29.80041 558.6367       223.3664 496.0094       293.2253 645.2192       344.7741 121.5132 37.44932 136.7048 40.27997 -15.19163      54.99934 
1 1 1 23  15 22 o 137.8036 26.14342 609.8462       203.5595 712.1954       273.4582 482.6530       304.8461 146.0054 32.74457 119.3230 38.37868 26.68245       50.44928 
1 1 1 23  15 23 o 56.82924 26.01125 -102.5271      194.8870 -257.6042      264.6823 81.09985       288.0178 59.67330 28.27943 81.63195 34.63200 -21.95865      44.71132 
1 1 1 23  15 24 o 72.44846 29.28068 103.2002       192.4756 216.7896       262.2379 -29.45689      283.3947 89.52013 34.80662 73.31918 32.65025 16.20096       47.72358 
1 1 1 23  15 25 o 97.65867 30.41146 321.3936       192.7961 326.6781       263.5165 315.3066       282.8148 99.46192 35.62249 98.98626 36.68013 0.4756622      51.13114 
1 1 1 23  15 26 o 166.3378 21.01596 875.8682       200.4495 564.6691       273.1643 1238.947       295.0565 124.9547 35.57240 194.2514 26.59717 -69.29671      44.41627 
1 1 1 23  15 27 o 45.92101 22.27979 -274.4212      187.4288 -505.9930      254.2850 1.049860       277.3422 48.49947 24.00921 73.06329 32.43171 -24.56382      40.35168 
1 1 1 23  15 28 o 154.3522 20.68034 759.7669       182.5004 361.2264       269.3316 1098.102       248.1559 101.1438 36.03707 183.9224 23.54521 -82.77865      43.04704 
1 1 1 23  15 29 o 65.72640 30.55853 -133.3067      284.5548 -133.3067      284.5548 0.000000       0.000000 65.72640 30.55853 ?        ?        0.000000       30.55853 
1 1 1 23  15 30 f 180.2013 18.79898 1028.141       195.7564 702.8383       332.3068 1201.019       242.2511 131.9270 39.71051 192.4999 21.84349 -60.57286      45.32177 
1 1 1 23  15 31 o 100.4415 28.97602 360.3307       180.0934 378.8035       325.3344 352.1690       216.2487 100.6046 38.86356 98.08808 32.37775 2.516487       50.58355 
1 1 1 23  15 32 f 47.22585 22.64232 -199.0358      180.1939 -76.45056      319.5214 -256.2045      218.2028 70.65849 32.68852 50.66655 24.45036 19.99194       40.82106 
1 1 1 23  15 33 o 93.53645 28.83665 316.8376       173.8441 289.5595       314.2884 328.8628       208.6736 91.49803 37.25563 94.13741 31.82014 -2.639381      48.99494 
1 1 1 23  15 34 o 80.07619 28.85259 220.0806       173.1668 92.10070       302.5659 282.4220       211.1726 76.92487 34.02380 88.07594 31.84501 -11.15107      46.60176 
1 1 1 23  15 35 o 145.0309 20.09431 689.5949       166.3304 875.9964       286.2307 594.5574       204.3803 151.0420 33.21766 128.4144 27.93440 22.62756       43.40212 
1 1 1 23  15 36 o 69.69902 28.34377 129.6250       181.6383 420.4059       348.9484 21.55566       212.7304 99.24522 39.66198 63.75557 28.34602 35.48965       48.75008 
1 1 1 23  15 37 o 59.50831 26.44585 8.946123       184.9566 -350.6364      320.3701 188.7107       226.5190 58.75622 28.64724 77.97159 31.67290 -19.21537      42.70640 
1 1 1 23  16 0  o 411.1255 30.71618 5199.105       735.2614 0.000000       0.000000 5199.105       735.2614 ?        ?        411.1255 30.71618 0.000000       30.71618 
1 1 1 23  16 1  o 171.1679 20.75735 888.3141       204.1216 826.7570       237.0341 1064.960       401.5348 163.6822 25.52450 181.2849 38.92971 -17.60278      46.55129 
1 1 1 23  16 2  o 282.8681 16.70839 2384.765       275.9500 2186.189       297.0776 3633.760       745.0526 270.1883 18.86645 339.0338 38.13119 -68.84555      42.54328 
1 1 1 23  16 3  o 303.9812 32.23892 2867.459       565.9963 0.000000       0.000000 2867.459       565.9963 ?        ?        303.9812 32.23892 0.000000       32.23892 
1 1 1 23  16 4  o 428.1320 25.84174 5560.729       645.8378 0.000000       0.000000 5560.729       645.8378 ?        ?        428.1320 25.84174 0.000000       25.84174 
1 1 1 23  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  16 7  f 106.3680 32.32817 352.6967       219.4891 352.6967       219.4891 0.000000       0.000000 106.3680 32.32817 ?        ?        0.000000       32.32817 
1 1 1 23  16 8  o 178.8544 26.11636 987.8613       265.8665 987.8613       265.8665 0.000000       0.000000 178.8544 26.11636 ?        ?        0.000000       26.11636 
1 1 1 23  16 9  o 74.06482 31.24135 35.19286       232.1617 35.19286       232.1617 0.000000       0.000000 74.06482 31.24135 ?        ?        0.000000       31.24135 
1 1 1 23  16 10 o 494.8731 20.12338 7346.965       582.8254 7346.965       582.8254 0.000000       0.000000 494.8731 20.12338 ?        ?        0.000000       20.12338 
1 1 1 23  16 11 o 184.0330 23.88258 1039.396       251.6935 1039.396       251.6935 0.000000       0.000000 184.0330 23.88258 ?        ?        0.000000       23.88258 
1 1 1 23  16 12 o 350.0087 29.08524 3788.024       591.6483 3788.024       591.6483 0.000000       0.000000 350.0087 29.08524 ?        ?        0.000000       29.08524 
1 1 1 23  16 13 o 321.2572 16.72992 3085.906       314.1219 3085.906       314.1219 0.000000       0.000000 321.2572 16.72992 ?        ?        0.000000       16.72992 
1 1 1 23  16 14 o 322.4392 21.01868 3146.987       395.3031 3146.987       395.3031 0.000000       0.000000 322.4392 21.01868 ?        ?        0.000000       21.01868 
1 1 1 23  16 15 o 346.8947 24.40223 3684.450       493.2851 3684.450       493.2851 0.000000       0.000000 346.8947 24.40223 ?        ?        0.000000       24.40223 
1 1 1 23  16 16 o 105.8822 35.57701 346.8762       260.8642 346.8762       260.8642 0.000000       0.000000 105.8822 35.57701 ?        ?        0.000000       35.57701 
1 1 1 23  16 17 o 158.8326 28.72126 803.4095       257.6975 803.4095       257.6975 0.000000       0.000000 158.8326 28.72126 ?        ?        0.000000       28.72126 
1 1 1 23  16 18 o 94.60423 32.51738 268.2192       218.0675 274.1345       248.9519 248.7172       452.0320 97.07877 34.64052 109.0541 44.57550 -11.97537      56.45300 
1 1 1 23  16 19 o 71.40791 30.44297 28.00950       224.4449 142.3620       271.9262 -216.4102      397.5543 86.26646 34.82539 79.36047 36.62483 6.905991       50.53895 
1 1 1 23  16 20 o 201.4441 18.90678 1236.716       220.7580 1226.500       290.4388 1250.693       339.7196 197.5514 25.67507 197.0055 30.37836 0.5458832      39.77504 
1 1 1 23  16 21 o 46.74797 22.86061 -367.6507      208.4605 10.09853       272.4178 -901.3854      323.8146 75.74359 32.92230 49.66214 24.96052 26.08145       41.31471 
1 1 1 23  16 22 o 47.98021 23.08523 -257.4622      191.1081 -336.9034      261.2462 -166.0147      280.2933 56.02287 26.96411 66.14970 30.60740 -10.12683      40.79064 
1 1 1 23  16 23 o 204.3949 16.30149 1272.049       193.7924 1497.083       261.7826 999.2050       288.2533 219.5260 20.57283 174.0316 29.28049 45.49435       35.78531 
1 1 1 23  16 24 o 185.6012 18.04604 1063.557       193.9555 985.6306       260.7242 1160.120       290.2311 173.8394 26.40215 188.3779 27.04469 -14.53847      37.79535 
1 1 1 23  16 25 o 60.96906 26.82731 -11.00822      185.8186 -195.4180      248.3363 223.5843       280.0950 59.22490 27.86109 90.08817 35.68665 -30.86326      45.27446 
1 1 1 23  16 26 o 255.8372 19.14815 2039.965       285.2194 2039.965       285.2194 0.000000       0.000000 255.8372 19.14815 ?        ?        0.000000       19.14815 
1 1 1 23  16 27 o 107.8508 28.45369 400.8609       182.5466 623.3171       270.7067 215.3458       247.2102 130.7296 34.72475 86.29388 33.72516 44.43577       48.40656 
1 1 1 23  16 28 f 118.8798 26.97733 483.1027       183.7607 307.5960       276.7426 621.5131       245.7612 95.46245 36.09582 131.6186 32.12441 -36.15617      48.32066 
1 1 1 23  16 29 o 151.1964 21.02743 738.5718       181.4180 402.5477       265.2930 1033.742       248.6432 103.8140 35.85844 176.3562 24.71778 -72.54222      43.55222 
1 1 1 23  16 30 o 56.28068 25.25153 -31.19814      172.9262 66.15603       264.8912 -103.5019      228.2815 74.13879 32.34103 59.66983 27.61368 14.46897       42.52596 
1 1 1 23  16 31 o 83.79549 36.38018 147.0232       331.8560 147.0232       331.8560 0.000000       0.000000 83.79549 36.38018 ?        ?        0.000000       36.38018 
1 1 1 23  16 32 o 140.3786 21.51718 649.7294       171.5092 225.3740       332.6887 803.3303       200.1566 87.92507 37.25790 155.4731 22.61394 -67.54803      43.58373 
1 1 1 23  16 33 o 115.0475 25.89698 464.6944       170.5065 266.4442       328.8307 537.5988       199.4081 89.71365 37.46803 121.9979 28.40311 -32.28421      47.01691 
1 1 1 23  16 34 f 65.14234 26.36282 103.3731       156.2591 -124.1815      303.0380 185.7905       182.3744 65.82820 30.90755 76.20380 29.18539 -10.37560      42.50957 
1 1 1 23  16 35 o 137.6771 21.90103 636.2286       170.9213 891.1128       341.8889 551.2977       197.3541 143.7266 39.39461 123.1440 27.96634 20.58255       48.31202 
1 1 1 23  16 36 o 115.8868 27.81760 491.5986       186.6585 793.8892       368.5472 387.3042       216.4767 129.7330 42.23730 99.22614 32.37540 30.50688       53.21801 
1 1 1 23  16 37 o 143.5071 24.61236 717.6743       199.6926 752.5211       309.9991 692.9583       261.0768 131.7603 38.01791 131.6596 33.67950 0.1006775      50.79046 
1 1 1 23  17 0  o 320.1739 14.10895 3040.591       264.2794 3152.645       312.8970 2761.689       493.6439 325.3726 16.45058 299.9231 28.40266 25.44955       32.82275 
1 1 1 23  17 1  o 136.9541 41.15444 606.6779       357.1326 0.000000       0.000000 606.6779       357.1326 ?        ?        136.9541 41.15444 0.000000       41.15444 
1 1 1 23  17 2  o 317.5084 30.92133 3117.602       568.5038 0.000000       0.000000 3117.602       568.5038 ?        ?        317.5084 30.92133 0.000000       30.92133 
1 1 1 23  17 3  o 45.40774 22.17122 -350.8256      193.8950 -232.3852      210.2607 -1024.032      501.2825 53.52068 25.31663 68.98663 34.07028 -15.46594      42.44662 
1 1 1 23  17 4  o 273.9389 15.69873 2234.199       251.1576 2271.441       290.4102 2123.688       500.2624 275.5515 18.07014 260.2319 33.55880 15.31961       38.11460 
1 1 1 23  17 5  o 514.7526 24.16596 8011.840       727.5102 0.000000       0.000000 8011.840       727.5102 ?        ?        514.7526 24.16596 0.000000       24.16596 
1 1 1 23  17 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  17 7  o 346.2576 14.96705 3563.284       303.2208 3563.284       303.2208 0.000000       0.000000 346.2576 14.96705 ?        ?        0.000000       14.96705 
1 1 1 23  17 8  o 168.9783 22.35186 873.1966       216.0837 873.1966       216.0837 0.000000       0.000000 168.9783 22.35186 ?        ?        0.000000       22.35186 
1 1 1 23  17 9  o 304.1685 15.82861 2757.359       281.3913 2757.359       281.3913 0.000000       0.000000 304.1685 15.82861 ?        ?        0.000000       15.82861 
1 1 1 23  17 10 f 181.8269 23.16069 1013.369       241.3811 1013.369       241.3811 0.000000       0.000000 181.8269 23.16069 ?        ?        0.000000       23.16069 
1 1 1 23  17 11 o 298.7042 16.97844 2669.424       296.2084 2669.424       296.2084 0.000000       0.000000 298.7042 16.97844 ?        ?        0.000000       16.97844 
1 1 1 23  17 12 f 282.4665 16.37012 2386.545       270.0253 2386.545       270.0253 0.000000       0.000000 282.4665 16.37012 ?        ?        0.000000       16.37012 
1 1 1 23  17 13 o 333.6934 15.56842 3323.750       303.8393 3323.750       303.8393 0.000000       0.000000 333.6934 15.56842 ?        ?        0.000000       15.56842 
1 1 1 23  17 14 o 253.5927 23.31982 1969.698       342.9460 1969.698       342.9460 0.000000       0.000000 253.5927 23.31982 ?        ?        0.000000       23.31982 
1 1 1 23  17 15 o 184.4704 22.60581 1047.239       239.4611 1047.239       239.4611 0.000000       0.000000 184.4704 22.60581 ?        ?        0.000000       22.60581 
1 1 1 23  17 16 o 263.9838 18.59731 2104.381       286.0815 2104.381       286.0815 0.000000       0.000000 263.9838 18.59731 ?        ?        0.000000       18.59731 
1 1 1 23  17 17 o 208.1918 18.57286 1313.656       224.3951 1588.096       262.0168 558.5049       434.6320 228.5935 19.73719 130.4681 45.84464 98.12537       49.91280 
1 1 1 23  17 18 o 234.6401 17.14998 1661.032       234.3725 1715.743       277.4575 1524.751       437.9024 237.2572 20.12990 214.9891 36.00226 22.26814       41.24774 
1 1 1 23  17 19 o 139.9088 26.97782 627.4919       213.3383 509.5132       261.6765 861.3448       368.4125 123.4052 34.70950 157.9479 39.79510 -34.54269      52.80530 
1 1 1 23  17 20 o 275.7672 13.57989 2274.285       218.9533 2467.040       282.4845 1984.214       346.5327 285.7231 16.93366 252.5564 23.67154 33.16661       29.10482 
1 1 1 23  17 21 o 59.57066 26.57590 -47.68696      188.6399 -154.5531      241.0276 121.2581       303.0536 61.21655 28.34508 86.17886 35.97897 -24.96230      45.80316 
1 1 1 23  17 22 o 91.57098 30.33510 269.8901       189.7722 87.89391       253.0148 503.9478       286.9302 78.04433 32.74876 119.8612 37.06343 -41.81683      49.45887 
1 1 1 23  17 23 o 61.60222 26.62631 11.28495       176.1738 -155.5198      240.6770 203.8288       258.5801 60.41566 28.09431 87.61617 34.41779 -27.20051      44.42831 
1 1 1 23  17 24 o 58.77288 26.10331 -28.35630      179.9234 -27.07417      249.7621 -29.73943      259.4125 68.64763 30.60556 69.66985 31.11750 -1.022224      43.64630 
1 1 1 23  17 25 f 121.8217 26.37750 496.8405       182.9865 569.2534       256.2813 421.5307       261.3574 126.0358 33.92610 108.5415 35.58327 17.49426       49.16451 
1 1 1 23  17 26 o 69.49303 28.39716 95.43256       183.3911 269.0402       269.0781 -55.16616      250.6135 92.54308 35.44870 66.43195 30.04892 26.11114       46.47094 
1 1 1 23  17 27 o 81.08858 29.03164 208.7388       175.0092 158.7405       263.3044 248.3079       234.2385 82.03275 33.82823 88.32188 33.24965 -6.289131      47.43299 
1 1 1 23  17 28 o 117.4763 26.69130 474.0645       179.7000 617.8256       262.4039 347.0987       246.6000 128.9016 34.16451 98.20815 34.53033 30.69343       48.57527 
1 1 1 23  17 29 o 77.83809 28.48910 191.7049       169.7299 6.225957       265.5296 319.8490       220.7064 70.46138 31.47587 94.51258 32.70372 -24.05120      45.39013 
1 1 1 23  17 30 o 105.3757 27.60780 392.2570       172.6309 473.5457       267.8102 334.4691       225.8034 110.2444 36.01257 95.64467 33.08000 14.59974       48.89981 
1 1 1 23  17 31 o 49.93423 23.14064 -90.15905      161.1535 -80.96709      250.4811 -96.65123      210.5067 63.06201 29.09174 57.11731 26.46189 5.944706       39.32634 
1 1 1 23  17 32 o 74.52990 27.90227 175.8389       164.4662 391.1404       260.9337 33.92580       211.8448 99.97668 35.48632 65.38633 28.71198 34.59035       45.64709 
1 1 1 23  17 33 o 79.88042 35.11964 127.1028       317.8412 127.1028       317.8412 0.000000       0.000000 79.88042 35.11964 ?        ?        0.000000       35.11964 
1 1 1 23  17 34 o 47.63937 22.18976 -92.06517      151.1205 -600.2656      294.5510 89.49715       176.0580 49.61325 24.76937 65.57253 27.40303 -15.95928      36.93843 
1 1 1 23  17 35 o 39.22015 19.31845 -282.1831      157.5616 -332.4496      307.7278 -264.3229      183.4297 58.06234 28.25681 44.31041 21.61997 13.75193       35.57907 
1 1 1 23  17 36 o 53.78822 24.29748 -27.73297      163.2175 -161.7152      321.3686 18.84042       189.4736 65.23710 30.98711 60.74590 26.89340 4.491199       41.02994 
1 1 1 23  18 0  o 206.5325 14.25977 1269.658       171.6632 1178.930       199.9224 1524.269       334.9112 198.2598 17.36924 222.7729 26.13013 -24.51309      31.37633 
1 1 1 23  18 1  o 470.0534 18.15978 6598.045       499.6783 0.000000       0.000000 6598.045       499.6783 ?        ?        470.0534 18.15978 0.000000       18.15978 
1 1 1 23  18 2  o 209.9728 16.65262 1319.209       203.3889 1377.149       225.5976 1067.634       470.0872 214.1725 18.13077 178.4427 44.94865 35.72974       48.46758 
1 1 1 23  18 3  o 156.9771 19.81134 748.2712       178.3356 875.8107       195.8404 128.9902       431.5425 169.9482 20.03325 102.4334 42.86167 67.51479       47.31231 
1 1 1 23  18 4  o 65.35776 26.76434 52.76570       163.3397 86.34190       175.3530 -167.3995      449.0263 70.67535 28.15854 88.85354 40.20332 -18.17818      49.08370 
1 1 1 23  18 5  o 246.6528 15.15254 1812.534       218.1328 1725.466       243.6129 2164.660       489.9125 240.0219 17.42475 262.7029 32.49001 -22.68106      36.86764 
1 1 1 23  18 6  o 155.0215 21.83426 735.9767       193.0170 735.9767       193.0170 0.000000       0.000000 155.0215 21.83426 ?        ?        0.000000       21.83426 
1 1 1 23  18 7  o 188.1996 20.14423 1073.298       218.8866 1073.298       218.8866 0.000000       0.000000 188.1996 20.14423 ?        ?        0.000000       20.14423 
1 1 1 23  18 8  o 165.3928 21.02409 834.5244       199.3292 834.5244       199.3292 0.000000       0.000000 165.3928 21.02409 ?        ?        0.000000       21.02409 
1 1 1 23  18 9  o 320.3693 15.11035 3057.146       283.1069 3057.146       283.1069 0.000000       0.000000 320.3693 15.11035 ?        ?        0.000000       15.11035 
1 1 1 23  18 10 o 487.5018 19.34547 7142.350       552.0049 7142.350       552.0049 0.000000       0.000000 487.5018 19.34547 ?        ?        0.000000       19.34547 
1 1 1 23  18 11 o 295.9559 15.97327 2618.198       276.2225 2618.198       276.2225 0.000000       0.000000 295.9559 15.97327 ?        ?        0.000000       15.97327 
1 1 1 23  18 12 o 113.8945 31.56197 418.7627       218.1028 418.7627       218.1028 0.000000       0.000000 113.8945 31.56197 ?        ?        0.000000       31.56197 
1 1 1 23  18 13 o 176.0482 37.31936 1025.954       373.3383 1025.954       373.3383 0.000000       0.000000 176.0482 37.31936 ?        ?        0.000000       37.31936 
1 1 1 23  18 14 o 435.1260 13.96092 5635.033       355.8091 5635.033       355.8091 0.000000       0.000000 435.1260 13.96092 ?        ?        0.000000       13.96092 
1 1 1 23  18 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  18 16 o 65.34831 30.64952 -254.1388      296.6363 -254.1388      296.6363 0.000000       0.000000 65.34831 30.64952 ?        ?        0.000000       30.64952 
1 1 1 23  18 17 o 137.2189 26.55741 600.8206       205.9963 562.7274       240.4847 705.7963       399.2167 130.8334 31.68223 142.3987 43.66218 -11.56528      53.94580 
1 1 1 23  18 18 o 121.3298 30.77968 484.6503       219.3254 475.1226       263.5612 506.1063       395.5134 119.2616 35.23811 123.6964 43.70999 -4.434837      56.14524 
1 1 1 23  18 19 o 160.4554 22.52013 804.4304       206.0963 545.0975       259.3261 1249.057       339.5591 127.1387 34.08499 196.1364 30.51100 -68.99770      45.74612 
1 1 1 23  18 20 o 140.6361 24.04413 629.9194       191.1950 729.9274       244.1538 471.3528       307.4342 149.1969 28.94766 117.3132 38.59974 31.88371       48.24839 
1 1 1 23  18 21 o 71.62125 28.24833 113.4449       174.8052 -59.75118      224.1499 382.2779       279.2614 63.89642 28.70236 106.8109 36.79482 -42.91444      46.66567 
1 1 1 23  18 22 o 58.86185 25.89834 -16.44402      173.1452 -115.5171      233.2484 105.1555       258.4085 61.50988 28.26569 79.37296 33.18667 -17.86308      43.59248 
1 1 1 23  18 23 o 120.9626 26.24112 486.2761       180.7944 302.8933       244.5505 707.3135       268.4863 96.05632 34.32654 142.3323 32.83277 -46.27599      47.50055 
1 1 1 23  18 24 o 116.2745 26.62501 454.2381       177.6421 561.2215       249.0059 343.3563       253.5021 125.6006 33.27683 100.0253 35.02243 25.57533       48.31064 
1 1 1 23  18 25 o 42.68240 20.94730 -321.8554      179.8623 -84.59584      252.1225 -567.7430      256.6658 64.96120 29.67723 47.11706 23.45898 17.84414       37.82938 
1 1 1 23  18 26 o 157.9238 20.00278 791.9844       181.1133 839.0305       269.2354 753.0986       244.7741 155.1654 30.67363 147.8593 29.26335 7.306107       42.39358 
1 1 1 23  18 27 o 79.91991 28.67995 204.0108       170.9023 290.8524       270.6917 146.4514       220.3785 93.23288 35.59388 77.10714 31.27042 16.12574       47.37893 
1 1 1 23  18 28 o 59.62872 25.51688 34.34604       158.7511 92.02428       254.4219 -2.427386      203.1494 75.11421 32.22660 62.71378 27.80160 12.40043       42.56152 
1 1 1 23  18 29 o 185.7937 15.81750 1072.347       170.7160 986.5807       262.8883 1134.889       224.4909 169.2375 27.42421 187.5073 20.76151 -18.26976      34.39663 
1 1 1 23  18 30 f 71.66158 27.32787 151.2099       159.4495 35.65879       248.3705 232.2217       207.9634 69.86604 30.86751 83.52554 31.35378 -13.65950      43.99844 
1 1 1 23  18 31 o 69.42540 27.07392 135.7192       159.0363 277.9078       245.6305 33.08995       208.6822 88.66691 33.89257 65.03232 28.52850 23.63459       44.30104 
1 1 1 23  18 32 o 98.94289 27.69688 354.7274       167.0395 339.6815       258.3696 365.5327       218.9526 94.17425 35.02846 97.67252 32.59061 -3.498276      47.84497 
1 1 1 23  18 33 o 150.2322 19.24337 733.1492       165.6606 864.2277       260.2499 643.8578       214.7977 153.5071 29.98346 133.4499 28.32228 20.05719       41.24512 
1 1 1 23  18 34 o 78.68822 27.73056 216.4998       159.1072 337.4944       239.8728 121.4463       212.6091 92.99140 33.89411 71.40694 29.99544 21.58447       45.26077 
1 1 1 23  18 35 o 107.5048 38.31889 508.2885       304.5484 508.2885       304.5484 0.000000       0.000000 107.5048 38.31889 ?        ?        0.000000       38.31889 
1 1 1 23  18 36 o 56.19068 24.96994 2.909303       164.8626 219.7906       295.0051 -95.58576      198.8043 82.89886 35.10428 54.39670 25.37510 28.50216       43.31520 
1 1 1 23  19 0  o 109.8279 23.84745 378.0351       149.1937 445.3626       162.4579 15.50670       376.9776 119.3635 24.03928 90.13550 38.95417 29.22800       45.77461 
1 1 1 23  19 1  o 117.2332 50.77336 96.57996       643.1804 0.000000       0.000000 96.57996       643.1804 ?        ?        117.2332 50.77336 0.000000       50.77336 
1 1 1 23  19 2  o 366.6888 13.91158 3991.046       298.6320 4141.614       357.9040 3645.985       541.8122 372.6760 16.41540 344.7288 27.01477 27.94724       31.61113 
1 1 1 23  19 3  o 146.8129 19.58691 656.2437       164.4439 648.6946       178.2797 699.2942       425.7411 145.4001 21.55883 145.1377 45.19118 0.2623138      50.07021 
1 1 1 23  19 4  o 76.56976 27.10914 159.4369       152.1956 200.8231       163.3173 -113.7566      419.6040 83.21788 28.15031 87.86922 39.38657 -4.651344      48.41220 
1 1 1 23  19 5  o 266.1957 14.38103 2108.641       223.6795 2184.147       253.9235 1847.106       472.5808 270.4444 16.08199 240.9459 34.42010 29.49852       37.99176 
1 1 1 23  19 6  o 203.2911 16.18448 1238.034       191.3683 1238.034       191.3683 0.000000       0.000000 203.2911 16.18448 ?        ?        0.000000       16.18448 
1 1 1 23  19 7  o 428.2912 14.32445 5452.443       359.2992 5452.443       359.2992 0.000000       0.000000 428.2912 14.32445 ?        ?        0.000000       14.32445 
1 1 1 23  19 8  o 172.4967 20.25583 906.4319       201.0184 906.4319       201.0184 0.000000       0.000000 172.4967 20.25583 ?        ?        0.000000       20.25583 
1 1 1 23  19 9  o 243.2472 18.16867 1781.735       257.3196 1781.735       257.3196 0.000000       0.000000 243.2472 18.16867 ?        ?        0.000000       18.16867 
1 1 1 23  19 10 o 197.6788 18.85555 1183.029       215.9546 1183.029       215.9546 0.000000       0.000000 197.6788 18.85555 ?        ?        0.000000       18.85555 
1 1 1 23  19 11 o 182.4529 20.38016 1015.453       214.3562 1015.453       214.3562 0.000000       0.000000 182.4529 20.38016 ?        ?        0.000000       20.38016 
1 1 1 23  19 12 o 98.50617 29.63179 307.4073       185.0741 307.4073       185.0741 0.000000       0.000000 98.50617 29.63179 ?        ?        0.000000       29.63179 
1 1 1 23  19 13 o 76.63296 29.95410 124.7255       195.0408 124.7255       195.0408 0.000000       0.000000 76.63296 29.95410 ?        ?        0.000000       29.95410 
1 1 1 23  19 14 o 83.90325 31.15271 183.9846       204.1869 183.9846       204.1869 0.000000       0.000000 83.90325 31.15271 ?        ?        0.000000       31.15271 
1 1 1 23  19 15 o 154.4458 32.28553 779.7815       283.0093 779.7815       283.0093 0.000000       0.000000 154.4458 32.28553 ?        ?        0.000000       32.28553 
1 1 1 23  19 16 o 154.4092 27.09850 759.9019       236.4506 759.9019       236.4506 0.000000       0.000000 154.4092 27.09850 ?        ?        0.000000       27.09850 
1 1 1 23  19 17 o 74.64213 30.07514 101.9169       202.3777 45.46152       236.0329 258.6273       393.2500 73.96819 31.36471 104.2484 41.95202 -30.28017      52.38050 
1 1 1 23  19 18 o 57.97408 26.22631 -79.25114      190.9738 -53.98827      223.3228 -147.9986      368.4005 64.79220 28.90996 78.19236 35.77929 -13.40016      45.99939 
1 1 1 23  19 19 o 68.50465 27.92057 78.32561       176.7264 50.28751       215.8952 135.2681       307.6714 71.10991 30.06763 87.52363 36.37300 -16.41372      47.19171 
1 1 1 23  19 20 o 105.9144 28.07283 373.1205       177.1672 498.3055       225.7077 172.1907       285.9515 121.0386 31.49762 87.75991 35.60930 33.27873       47.54074 
1 1 1 23  19 21 o 116.9640 25.27417 449.2038       168.3036 431.6703       220.0905 473.8963       261.1852 111.9553 31.94942 116.0052 35.26707 -4.049957      47.58709 
1 1 1 23  19 22 o 66.74200 27.42289 76.01556       172.2092 70.25900       224.9327 84.16870       267.6910 72.60949 30.69556 78.21403 33.29241 -5.604538      45.28357 
1 1 1 23  19 23 o 69.17439 27.83489 101.2917       173.1010 146.1282       227.1880 39.23845       267.2708 78.96687 31.84850 74.62893 32.52152 4.337936       45.51897 
1 1 1 23  19 24 o 115.7214 26.77823 452.9505       178.1331 382.3642       247.1426 529.2691       256.9820 103.7846 34.62500 120.6900 34.54966 -16.90538      48.91390 
1 1 1 23  19 25 o 56.81522 25.32115 -27.85098      170.8001 54.88431       241.7028 -110.3745      241.3932 72.29095 31.21672 61.88029 28.55107 10.41066       42.30422 
1 1 1 23  19 26 o 98.62702 27.82302 337.6028       167.8826 487.6010       260.4994 231.0471       219.5594 114.0789 35.32187 85.43259 32.18467 28.64627       47.78585 
1 1 1 23  19 27 o 196.8194 15.52068 1197.347       177.7062 959.3522       267.3374 1385.761       237.8655 166.5637 28.38384 208.6867 19.66698 -42.12300      34.53162 
1 1 1 23  19 28 o 49.94765 23.09139 -88.45605      159.0452 -270.7924      256.3082 25.71301       202.8150 55.65307 26.76614 64.55505 28.22679 -8.901985      38.89959 
1 1 1 23  19 29 o 74.82449 27.17433 178.4140       153.9941 257.1299       247.2477 128.5256       196.8341 87.55302 33.86435 72.33739 29.47237 15.21562       44.89338 
1 1 1 23  19 30 o 39.49689 19.34199 -252.1860      150.8125 -536.1525      231.5871 -43.08821      198.7263 43.48956 21.75010 58.59000 26.60364 -15.10045      34.36306 
1 1 1 23  19 31 o 52.88681 23.77949 -27.92982      154.2639 -116.6810      227.1551 48.03728       210.1591 57.85129 27.03189 66.04354 28.80827 -8.192249      39.50493 
1 1 1 23  19 32 o 45.78114 22.76303 -474.4929      238.3674 -474.4929      238.3674 0.000000       0.000000 45.78114 22.76303 ?        ?        0.000000       22.76303 
1 1 1 23  19 33 o 55.06635 24.37755 0.8442726      155.6598 18.65117       246.3588 -10.98866      200.8261 67.13676 30.12971 60.25648 27.10923 6.880272       40.53036 
1 1 1 23  19 34 o 63.97449 27.15040 75.06006       177.1227 412.8837       327.8695 -64.16119      210.4790 98.46241 38.73233 57.92435 26.70230 40.53806       47.04472 
1 1 1 23  19 35 o 75.64054 27.90826 194.7408       163.4102 -129.2126      226.1029 548.9841       236.4372 56.33064 26.52593 117.3134 32.99212 -60.98275      42.33326 
1 1 1 23  20 0  o 308.8092 11.98957 2824.716       216.7296 2841.144       269.1675 2794.430       365.4653 308.8679 14.90331 304.1956 20.60695 4.672302       25.43138 
1 1 1 23  20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  20 2  o 166.2284 17.85594 834.8380       171.3500 739.6497       188.3026 1293.225       413.2194 155.3976 21.21486 199.5496 36.65901 -44.15198      42.35508 
1 1 1 23  20 3  o 115.3837 22.04657 414.4111       143.7512 388.4091       151.5242 648.5161       454.6569 111.1518 23.95137 140.2304 46.96652 -29.07864      52.72117 
1 1 1 23  20 4  f 226.3343 13.92606 1526.045       183.9590 1553.814       199.5070 1368.427       475.3129 228.1096 14.99613 202.5332 41.41450 25.57645       44.04594 
1 1 1 23  20 5  o 210.9349 14.49865 1328.319       178.2695 1319.957       191.8403 1381.232       482.5575 209.9483 15.69389 203.0147 41.91869 6.933609       44.76019 
1 1 1 23  20 6  o 88.49723 26.08691 244.7025       144.5850 233.0663       150.9331 374.3717       503.8442 86.90438 26.88275 121.3059 47.92290 -34.40153      54.94804 
1 1 1 23  20 7  o 80.82634 28.01720 186.3967       162.0139 186.3967       162.0139 0.000000       0.000000 80.82634 28.01720 ?        ?        0.000000       28.01720 
1 1 1 23  20 8  o 269.0376 14.61061 2159.540       229.6672 2159.540       229.6672 0.000000       0.000000 269.0376 14.61061 ?        ?        0.000000       14.61061 
1 1 1 23  20 9  o 141.0072 22.60609 617.2238       180.6320 617.2238       180.6320 0.000000       0.000000 141.0072 22.60609 ?        ?        0.000000       22.60609 
1 1 1 23  20 10 o 210.4177 16.83014 1332.607       205.9621 1332.607       205.9621 0.000000       0.000000 210.4177 16.83014 ?        ?        0.000000       16.83014 
1 1 1 23  20 11 o 136.3452 23.03340 579.9612       177.6284 579.9612       177.6284 0.000000       0.000000 136.3452 23.03340 ?        ?        0.000000       23.03340 
1 1 1 23  20 12 o 181.3480 39.92817 1112.023       413.1457 1112.023       413.1457 0.000000       0.000000 181.3480 39.92817 ?        ?        0.000000       39.92817 
1 1 1 23  20 13 o 151.5022 26.71834 727.7756       228.7258 727.7756       228.7258 0.000000       0.000000 151.5022 26.71834 ?        ?        0.000000       26.71834 
1 1 1 23  20 14 o 188.1082 19.13102 1078.588       208.1220 1078.588       208.1220 0.000000       0.000000 188.1082 19.13102 ?        ?        0.000000       19.13102 
1 1 1 23  20 15 o 245.8573 31.22707 1944.644       440.1173 1944.644       440.1173 0.000000       0.000000 245.8573 31.22707 ?        ?        0.000000       31.22707 
1 1 1 23  20 16 o 67.80283 29.13694 15.39273       208.6092 15.39273       208.6092 0.000000       0.000000 67.80283 29.13694 ?        ?        0.000000       29.13694 
1 1 1 23  20 17 o 108.4738 27.70712 385.1574       176.8754 454.6268       203.9952 174.7486       355.0219 117.2581 29.65053 94.83700 39.21118 22.42114       49.15964 
1 1 1 23  20 18 o 103.1670 27.98713 351.1147       173.5963 240.9509       200.7052 678.2944       345.8855 88.76820 31.15653 137.5557 40.29487 -48.78751      50.93531 
1 1 1 23  20 19 o 72.10395 27.78194 127.2717       165.9438 167.2540       199.6344 37.87922       298.5053 79.83895 30.54581 79.23961 34.45203 0.5993423      46.04333 
1 1 1 23  20 20 o 52.91023 24.13049 -78.81865      165.7664 -16.51181      202.8283 -204.1481      287.6651 63.34983 27.94551 64.45725 30.21591 -1.107426      41.15765 
1 1 1 23  20 21 o 111.5115 27.50109 419.0959       178.7107 472.9454       222.0786 320.1498       301.0338 116.5542 31.67010 99.63129 37.65238 16.92294       49.20058 
1 1 1 23  20 22 o 63.50092 26.62937 52.41130       167.1314 172.2532       211.6564 -146.0723      272.3889 80.13597 31.23833 64.58823 29.98450 15.54774       43.30016 
1 1 1 23  20 23 o 58.02777 25.41681 -3.326091      165.0755 -76.03214      218.8379 92.66355       251.4487 60.96403 27.77343 76.42329 32.38783 -15.45926      42.66538 
1 1 1 23  20 24 o 86.06022 28.28605 247.4398       165.1098 317.2644       226.0047 167.5174       241.7953 95.77425 33.09618 81.32125 32.83566 14.45300       46.62122 
1 1 1 23  20 25 f 73.41687 27.92594 152.9107       166.2382 324.4186       243.0344 2.113506       227.8884 96.11115 34.23380 66.59367 29.48755 29.51748       45.18262 
1 1 1 23  20 26 o 84.96886 27.89189 246.3577       160.5608 233.4292       236.9937 257.3263       218.2920 85.85918 33.16934 87.57875 32.26605 -1.719566      46.27421 
1 1 1 23  20 27 o 57.27299 24.79277 18.82863       153.2105 93.26999       234.4403 -36.66398      202.4150 73.13051 31.14332 60.09782 27.11120 13.03269       41.29072 
1 1 1 23  20 28 o 45.33480 21.48297 -142.9689      152.6998 -47.80288      235.0956 -212.4154      200.8302 63.30394 28.81894 49.97465 23.94522 13.32930       37.46872 
1 1 1 23  20 29 o 92.20395 26.79315 300.9529       153.4699 127.6283       226.8669 447.1909       208.3873 74.33945 31.08969 109.5251 31.03292 -35.18566      43.92733 
1 1 1 23  20 30 o 135.1730 20.48287 599.6179       157.2980 675.9859       235.5774 538.1772       211.3029 135.5313 30.38951 120.8067 29.96898 14.72456       42.68093 
1 1 1 23  20 31 o 149.5182 17.87865 716.5993       153.6720 507.7477       233.4962 876.1849       204.1069 113.9834 33.02700 162.1324 22.03507 -48.14904      39.70299 
1 1 1 23  20 32 o 143.0556 17.62375 656.4622       144.7390 783.3115       232.8737 576.6138       184.7605 147.7125 27.90380 128.2768 25.45763 19.43568       37.77186 
1 1 1 23  20 33 o 106.4089 24.83851 400.2625       152.1729 69.12757       243.1721 613.4031       195.0941 69.77979 30.69734 131.2604 26.26078 -61.48064      40.39747 
1 1 1 23  20 34 o 46.85752 22.05961 -115.2142      156.2002 -363.2455      249.6166 44.41650       200.2527 50.18465 24.63889 63.81923 27.97279 -13.63458      37.27670 
1 1 1 23  21 0  o 120.0281 21.23253 446.9544       143.9963 495.2119       156.1020 171.5211       372.9361 126.3017 21.86551 98.68710 40.43048 27.61463       45.96439 
1 1 1 23  21 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  21 2  o 286.7917 13.21613 2445.385       221.6931 2430.481       250.4693 2499.295       476.3703 285.3465 15.01977 282.6842 29.15134 2.662354       32.79321 
1 1 1 23  21 3  o 108.1479 23.72482 368.9057       146.3313 355.5541       155.2574 475.1068       437.8751 105.8050 25.35248 124.9060 45.75194 -19.10093      52.30667 
1 1 1 23  21 4  o 236.1467 12.97586 1658.996       179.0177 1611.860       191.1231 1996.124       511.1364 232.4611 14.08494 248.0788 36.19756 -15.61769      38.84132 
1 1 1 23  21 5  o 263.2124 13.11174 2060.805       201.7659 1927.305       217.0273 2911.122       547.7281 254.0800 14.62624 303.6827 31.19663 -49.60275      34.45514 
1 1 1 23  21 6  o 134.3578 19.44034 553.6974       148.7384 505.2929       156.2126 1023.523       486.6776 127.5782 21.65121 170.7367 47.08284 -43.15848      51.82247 
1 1 1 23  21 7  f 153.6084 18.27685 717.6931       161.4270 717.6931       161.4270 0.000000       0.000000 153.6084 18.27685 ?        ?        0.000000       18.27685 
1 1 1 23  21 8  o 83.74654 26.87362 214.0034       149.5304 214.0034       149.5304 0.000000       0.000000 83.74654 26.87362 ?        ?        0.000000       26.87362 
1 1 1 23  21 9  o 360.2633 15.98260 3885.562       336.8492 3885.562       336.8492 0.000000       0.000000 360.2633 15.98260 ?        ?        0.000000       15.98260 
1 1 1 23  21 10 o 171.6281 17.45148 892.1776       173.2190 892.1776       173.2190 0.000000       0.000000 171.6281 17.45148 ?        ?        0.000000       17.45148 
1 1 1 23  21 11 o 169.0291 17.82777 867.2949       174.0706 867.2949       174.0706 0.000000       0.000000 169.0291 17.82777 ?        ?        0.000000       17.82777 
1 1 1 23  21 12 o 252.0388 29.52200 2015.505       428.1190 2015.505       428.1190 0.000000       0.000000 252.0388 29.52200 ?        ?        0.000000       29.52200 
1 1 1 23  21 13 o 215.1334 15.66471 1392.540       196.2884 1392.540       196.2884 0.000000       0.000000 215.1334 15.66471 ?        ?        0.000000       15.66471 
1 1 1 23  21 14 o 187.8626 20.70627 1086.383       224.3558 1086.383       224.3558 0.000000       0.000000 187.8626 20.70627 ?        ?        0.000000       20.70627 
1 1 1 23  21 15 o 191.2926 17.50936 1113.093       194.2587 1113.093       194.2587 0.000000       0.000000 191.2926 17.50936 ?        ?        0.000000       17.50936 
1 1 1 23  21 16 o 169.3170 18.96077 882.0167       185.0513 882.0167       185.0513 0.000000       0.000000 169.3170 18.96077 ?        ?        0.000000       18.96077 
1 1 1 23  21 17 o 244.4817 12.91826 1791.465       184.5682 1831.295       211.9526 1666.511       375.4146 246.3968 14.73471 226.3164 28.94599 20.08044       32.48048 
1 1 1 23  21 18 o 73.67844 27.68942 144.3853       162.2949 134.8847       184.3046 177.1886       342.4677 74.77795 29.14999 92.17222 38.34560 -17.39427      48.16748 
1 1 1 23  21 19 o 59.35293 25.81849 1.190170       167.8170 95.35901       195.3083 -264.4706      328.0431 71.60738 29.28843 66.81737 31.61104 4.790009       43.09374 
1 1 1 23  21 20 o 109.8749 26.37480 404.0149       167.7966 385.6990       196.5693 453.2047       322.1362 105.9034 30.18470 112.1423 39.46309 -6.238960      49.68351 
1 1 1 23  21 21 o 187.7772 16.30087 1084.279       177.7397 1010.415       218.9419 1227.049       304.3910 178.3282 21.35867 191.8895 27.86137 -13.56129      35.10625 
1 1 1 23  21 22 o 108.4803 25.59369 395.3706       160.1803 214.9490       209.2079 650.9834       249.0148 84.04981 31.46886 135.8650 31.81457 -51.81516      44.74881 
1 1 1 23  21 23 o 91.48846 27.34067 284.8987       157.9488 410.7612       216.4421 141.5158       231.0161 107.2956 31.99116 78.13232 31.89296 29.16329       45.17295 
1 1 1 23  21 24 o 123.3238 23.46473 503.4268       163.5132 679.8601       224.9124 305.6319       238.1392 140.4581 28.28281 93.99194 33.83918 46.46617       44.10224 
1 1 1 23  21 25 o 128.9850 21.46994 543.1624       156.7062 613.7766       218.1654 467.8970       225.2358 132.1320 28.95469 112.7262 32.36921 19.40589       43.42971 
1 1 1 23  21 26 o 114.4605 28.33429 463.5502       189.1770 867.3417       355.8363 304.4548       223.3574 145.6515 40.29588 92.48785 32.83154 53.16369       51.97757 
1 1 1 23  21 27 o 42.23378 20.26575 -173.1473      145.0258 -151.1413      214.3375 -191.7292      196.9578 54.92891 25.85368 50.33727 24.00795 4.591637       35.28165 
1 1 1 23  21 28 o 49.99472 22.81816 -56.68881      148.5892 -138.1814      203.8377 35.71774       217.0586 53.83263 25.29853 66.30489 29.09084 -12.47226      38.55246 
1 1 1 23  21 29 o 41.06220 19.73202 -167.5318      138.6172 -66.33727      201.7544 -258.0117      190.7747 57.35754 26.33204 46.10033 22.39254 11.25721       34.56591 
1 1 1 23  21 30 o 39.14268 18.97105 -188.7979      134.9624 -267.8073      219.1347 -140.5129      171.3081 49.81221 24.14959 48.28212 22.84250 1.530090       33.24128 
1 1 1 23  21 31 o 46.33745 21.41467 -72.37910      136.6069 -288.2925      230.1624 45.04634       169.7367 50.47480 24.53536 60.80322 26.20731 -10.32842      35.89996 
1 1 1 23  21 32 o 62.15396 26.73357 55.47120       175.9148 14.16821       311.8714 74.74450       213.0409 72.25011 33.00707 67.54348 29.23718 4.706627       44.09398 
1 1 1 23  21 33 o 106.9935 32.28907 453.6778       219.4990 819.5253       359.7943 236.7959       277.0231 132.4813 41.58797 83.78451 34.63880 48.69683       54.12398 
1 1 1 23  21 34 o 139.1794 24.53942 677.2649       192.9868 635.6113       304.7120 705.1640       249.3781 119.3119 38.36978 134.3817 32.08652 -15.06982      50.01785 
1 1 1 23  22 0  o 97.99663 21.44316 301.5446       119.8072 343.3853       129.0212 39.59802       322.8261 104.6375 21.73553 84.63738 36.30660 20.00014       42.31551 
1 1 1 23  22 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  22 2  o 51.65435 22.55131 -18.44150      129.0242 -24.74402      136.6886 33.07698       390.8021 52.62846 23.08796 91.30238 39.56003 -38.67392      45.80447 
1 1 1 23  22 3  o 66.44870 32.00525 -486.7299      369.6302 -1258.785      617.1851 -54.93630      461.5612 74.59275 37.01008 93.56301 41.66651 -18.97026      55.73010 
1 1 1 23  22 4  o 80.53444 24.43305 200.8289       125.4500 192.3317       130.1854 311.2990       469.4019 79.34756 25.03097 114.2387 45.88231 -34.89112      52.26601 
1 1 1 23  22 5  o 93.75938 39.06847 129.1347       356.3261 -437.1946      535.3364 579.6254       477.4579 85.97123 40.58508 133.2685 47.92322 -47.29731      62.79955 
1 1 1 23  22 6  o 85.13867 24.70187 227.6221       130.5386 274.3655       135.4682 -379.7987      488.3396 92.96244 24.50478 83.17092 39.10837 9.791519       46.15137 
1 1 1 23  22 7  o 142.3029 18.15782 617.7825       148.0929 617.7825       148.0929 0.000000       0.000000 142.3029 18.15782 ?        ?        0.000000       18.15782 
1 1 1 23  22 8  o 85.87582 25.35670 231.6287       136.5089 231.6287       136.5089 0.000000       0.000000 85.87582 25.35670 ?        ?        0.000000       25.35670 
1 1 1 23  22 9  o 66.67466 25.21211 104.8052       135.0189 104.8052       135.0189 0.000000       0.000000 66.67466 25.21211 ?        ?        0.000000       25.21211 
1 1 1 23  22 10 o 193.5061 15.95677 1128.169       179.4802 1128.169       179.4802 0.000000       0.000000 193.5061 15.95677 ?        ?        0.000000       15.95677 
1 1 1 23  22 11 o 426.9705 17.48552 5495.364       436.9253 5495.364       436.9253 0.000000       0.000000 426.9705 17.48552 ?        ?        0.000000       17.48552 
1 1 1 23  22 12 f 333.1356 21.76670 3406.271       422.9402 3406.271       422.9402 0.000000       0.000000 333.1356 21.76670 ?        ?        0.000000       21.76670 
1 1 1 23  22 13 o 121.9032 25.39836 477.2401       175.6807 477.2401       175.6807 0.000000       0.000000 121.9032 25.39836 ?        ?        0.000000       25.39836 
1 1 1 23  22 14 o 244.1307 30.73960 1936.846       430.3844 1936.846       430.3844 0.000000       0.000000 244.1307 30.73960 ?        ?        0.000000       30.73960 
1 1 1 23  22 15 o 55.33305 24.41919 -26.78997      155.0221 -26.78997      155.0221 0.000000       0.000000 55.33305 24.41919 ?        ?        0.000000       24.41919 
1 1 1 23  22 16 o 144.4084 19.62286 650.0710       161.8944 650.0710       161.8944 0.000000       0.000000 144.4084 19.62286 ?        ?        0.000000       19.62286 
1 1 1 23  22 17 o 95.55299 25.61890 301.1640       146.4946 368.7442       160.0811 -47.02930      363.3627 105.5565 26.02571 80.56569 36.33632 24.99081       44.69525 
1 1 1 23  22 18 o 77.59202 26.90812 185.0991       149.4485 205.6021       164.9941 91.41806       352.6837 81.27529 28.26801 86.46744 37.52257 -5.192146      46.97897 
1 1 1 23  22 19 o 64.94090 25.87194 89.55918       148.0199 88.67259       164.3750 93.36112       340.3906 66.89644 27.05100 85.05096 36.88561 -18.15453      45.74172 
1 1 1 23  22 20 o 110.2126 24.33750 402.3503       153.1016 391.8972       179.2607 430.5324       294.3393 107.0081 28.17988 108.9983 37.76453 -1.990204      47.11970 
1 1 1 23  22 21 o 40.61678 19.78568 -244.2136      151.8803 -128.2518      187.3863 -466.2762      259.3093 52.98160 24.68853 50.23519 24.75159 2.746414       34.95947 
1 1 1 23  22 22 o 80.89355 26.88724 214.4795       149.0535 110.6275       196.4038 355.5324       228.8936 72.01479 29.40268 100.0879 33.32045 -28.07309      44.43838 
1 1 1 23  22 23 o 37.58972 18.54525 -291.2023      147.2016 -172.8330      190.1366 -468.2896      232.5626 50.68263 24.00392 46.04949 22.82543 4.633137       33.12384 
1 1 1 23  22 24 o 117.7232 23.18913 461.8392       154.4037 612.2555       206.0280 269.1164       233.2091 133.1339 27.30387 89.21722 33.26080 43.91663       43.03234 
1 1 1 23  22 25 o 122.6025 26.48726 519.4067       184.8806 107.3708       338.5656 694.4777       220.6899 82.32030 36.21751 141.4250 27.59870 -59.10468      45.53456 
1 1 1 23  22 26 f 58.95583 24.58292 56.04541       141.2188 232.7554       194.0060 -143.1047      205.9563 83.22192 30.45860 54.11140 25.42958 29.11052       39.67859 
1 1 1 23  22 27 o 56.85953 24.21994 36.70685       141.8500 96.02879       190.2967 -37.47210      212.7962 68.37093 28.52483 60.86131 27.59307 7.509621       39.68682 
1 1 1 23  22 28 f 45.44201 21.01175 -74.88682      131.7652 -65.78572      183.1990 -84.64087      189.6570 54.74723 25.11824 54.53199 25.21258 0.2152405      35.58932 
1 1 1 23  22 29 o 66.51707 25.06645 132.1708       133.2031 130.2111       193.5980 133.9326       183.5581 71.15153 29.13764 70.71660 28.58946 0.4349289      40.82106 
1 1 1 23  22 30 o 82.56584 25.51036 240.4574       135.9631 10.50277       200.2496 437.1328       185.1934 61.78347 27.48362 108.8681 28.62938 -47.08467      39.68616 
1 1 1 23  22 31 o 87.45810 30.62363 285.4026       193.8231 134.9115       249.4757 514.5629       307.8525 75.01521 32.04155 108.1929 38.53026 -33.17768      50.11229 
1 1 1 23  22 32 o 128.4086 30.19539 623.5436       223.5516 675.0812       298.5382 557.7549       337.2976 124.8855 37.64940 109.9308 40.17290 14.95476       55.05760 
1 1 1 23  22 33 o 141.0973 22.96972 681.6860       183.5428 518.1788       263.7835 835.1451       255.5498 110.5923 35.71214 148.9893 30.27973 -38.39702      46.82114 
1 1 1 23  23 0  o 190.3815 13.72663 1083.767       152.2348 1119.387       166.0831 896.4954       380.8120 193.2105 14.76890 162.0074 40.25698 31.20309       42.88059 
1 1 1 23  23 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  23 2  o 139.7822 17.49836 595.0248       140.3155 649.1515       148.2275 128.2267       435.2992 146.0380 17.66522 100.2979 42.56434 45.74017       46.08452 
1 1 1 23  23 3  o 202.9479 13.36452 1229.744       158.1847 1251.058       168.9180 1077.834       450.9535 204.4809 14.17322 175.7895 43.88067 28.69142       46.11283 
1 1 1 23  23 4  o 52.15263 22.12110 10.33075       117.4708 40.63371       121.0570 -478.5172      486.2217 56.33904 23.05272 79.56998 37.88602 -23.23094      44.34837 
1 1 1 23  23 5  o 260.1951 12.22974 2013.199       186.1015 1957.202       200.3158 2366.285       503.0070 256.1935 13.37840 271.6476 32.19855 -15.45410      34.86730 
1 1 1 23  23 6  o 86.93207 24.30673 239.2125       128.7291 215.9075       133.7005 535.2263       476.5020 83.15900 25.22254 129.0263 47.64777 -45.86732      53.91183 
1 1 1 23  23 7  o 150.0535 16.86466 683.6458       145.8476 683.6458       145.8476 0.000000       0.000000 150.0535 16.86466 ?        ?        0.000000       16.86466 
1 1 1 23  23 8  o 114.9290 22.74766 416.9655       147.8973 416.9655       147.8973 0.000000       0.000000 114.9290 22.74766 ?        ?        0.000000       22.74766 
1 1 1 23  23 9  o 104.6088 24.14489 349.7620       145.1270 349.7620       145.1270 0.000000       0.000000 104.6088 24.14489 ?        ?        0.000000       24.14489 
1 1 1 23  23 10 o 308.6571 15.33570 2860.827       276.7375 2860.827       276.7375 0.000000       0.000000 308.6571 15.33570 ?        ?        0.000000       15.33570 
1 1 1 23  23 11 o 353.4726 15.46642 3755.082       319.8480 3755.082       319.8480 0.000000       0.000000 353.4726 15.46642 ?        ?        0.000000       15.46642 
1 1 1 23  23 12 o 260.0112 12.99884 2021.439       197.5913 2021.439       197.5913 0.000000       0.000000 260.0112 12.99884 ?        ?        0.000000       12.99884 
1 1 1 23  23 13 o 42.80806 19.99820 -108.4697      124.2081 -108.4697      124.2081 0.000000       0.000000 42.80806 19.99820 ?        ?        0.000000       19.99820 
1 1 1 23  23 14 f 49.24658 21.79187 -27.21667      124.2608 -27.21667      124.2608 0.000000       0.000000 49.24658 21.79187 ?        ?        0.000000       21.79187 
1 1 1 23  23 15 o 258.0514 13.06466 2000.329       197.0786 2000.329       197.0786 0.000000       0.000000 258.0514 13.06466 ?        ?        0.000000       13.06466 
1 1 1 23  23 16 o 54.03461 23.11504 12.86923       130.1905 12.86923       130.1905 0.000000       0.000000 54.03461 23.11504 ?        ?        0.000000       23.11504 
1 1 1 23  23 17 o 135.6076 17.93584 573.1268       139.1507 632.9355       150.1389 208.8103       370.5529 142.3890 18.40946 94.65171 39.66918 47.73733       43.73273 
1 1 1 23  23 18 o 67.18228 25.00524 122.9823       131.7039 86.61749       143.2344 321.9561       335.0459 63.89389 25.45178 100.3688 39.25150 -36.47486      46.78112 
1 1 1 23  23 19 o 158.8760 15.71567 776.6997       144.5176 730.7770       161.6397 959.6643       322.6397 152.7516 18.41417 163.4867 34.72335 -10.73509      39.30385 
1 1 1 23  23 20 o 176.7398 14.78932 955.9708       151.8925 1012.904       181.5292 823.0439       277.3775 180.5704 17.35498 152.8713 31.96804 27.69919       36.37514 
1 1 1 23  23 21 o 45.76964 21.24495 -93.90633      136.6651 -54.91343      165.6366 -177.0617      241.8848 53.85127 24.38668 58.41342 27.48478 -4.562153      36.74402 
1 1 1 23  23 22 o 52.06354 22.93532 -11.12982      136.1805 17.38419       169.9408 -62.29671      227.6476 59.96831 26.03470 62.30978 28.36341 -2.341473      38.50050 
1 1 1 23  23 23 o 122.0682 20.75252 485.0120       143.2549 704.0527       178.4527 88.03306       240.2395 147.1800 21.29189 73.44392 31.40846 73.73607       37.94517 
1 1 1 23  23 24 o 253.3096 11.06657 1933.996       164.0083 2021.668       218.1935 1820.122       248.6686 256.4841 14.56530 240.6819 17.74150 15.80222       22.95450 
1 1 1 23  23 25 o 90.84858 25.28684 285.9937       139.6605 623.4440       184.7577 -163.8918      213.3284 136.0085 24.04171 54.10986 25.56693 81.89861       35.09518 
1 1 1 23  23 26 o 95.45464 29.27379 331.1045       179.4443 -119.6059      344.7799 498.5500       210.1502 70.69308 33.12008 116.2122 30.46713 -45.51911      45.00206 
1 1 1 23  23 27 o 54.55894 23.23055 33.05558       130.4049 76.28724       186.7242 -8.106448      182.1998 65.88825 27.91590 58.53818 26.11661 7.350071       38.22792 
1 1 1 23  23 28 o 47.08381 21.33141 -39.63524      126.9007 -54.80540      189.4430 -27.28755      170.9135 56.11407 25.66938 55.32849 24.94029 0.7855759      35.79015 
1 1 1 23  23 29 o 65.34824 25.03393 123.9010       134.2029 203.9356       191.7177 47.00390       187.9222 78.33696 29.94320 63.09324 27.38450 15.24372       40.57716 
1 1 1 23  23 30 o 54.84618 24.78588 -27.91223      170.0564 -35.13133      195.9231 -5.859089      342.4360 57.89515 26.33793 73.63038 33.98427 -15.73523      42.99555 
1 1 1 23  23 31 o 54.87081 25.25544 -61.79338      187.2579 37.13946       212.6255 -403.7795      395.3204 64.52514 28.53155 63.93322 31.31008 0.5919189      42.36000 
1 1 1 23  23 32 o 59.74354 25.11697 65.59196       149.2696 22.16400       212.9189 107.5663       209.3251 63.40084 28.26280 69.47298 29.50096 -6.072136      40.85453 
1 1 1 23  24 0  o 160.0310 16.31031 775.0657       150.9420 874.0928       162.0041 123.3347       415.6072 169.9936 16.45513 97.87379 41.56521 72.11980       44.70389 
1 1 1 23  24 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  24 2  o 42.78257 19.68894 -79.47780      113.7551 -88.05700      118.4918 21.44039       406.3961 43.22607 19.96525 91.30417 39.93886 -48.07810      44.65113 
1 1 1 23  24 3  o 150.1850 15.26132 681.0449       132.5568 671.7829       137.9789 791.9923       477.5494 148.9245 16.05097 148.5760 48.05706 0.3484955      50.66670 
1 1 1 23  24 4  o 170.2039 14.71363 871.4847       145.4314 832.8885       151.6404 1314.048       513.4880 166.0565 15.75936 191.5257 46.24274 -25.46918      48.85436 
1 1 1 23  24 5  o 176.8174 37.82865 1061.379       380.4195 1039.435       548.8704 1081.665       527.7404 166.5904 51.21745 170.8130 49.69881 -4.222626      71.36665 
1 1 1 23  24 6  o 235.2592 12.46088 1650.205       171.3146 1596.549       182.5366 2046.769       496.2475 231.0514 13.52993 249.1979 34.91142 -18.14642      37.44150 
1 1 1 23  24 7  o 121.1380 20.26538 457.3217       138.8929 457.3217       138.8929 0.000000       0.000000 121.1380 20.26538 ?        ?        0.000000       20.26538 
1 1 1 23  24 8  o 126.1259 45.92197 536.1082       440.1575 536.1082       440.1575 0.000000       0.000000 126.1259 45.92197 ?        ?        0.000000       45.92197 
1 1 1 23  24 9  o 200.0225 13.71725 1200.535       159.9409 1200.535       159.9409 0.000000       0.000000 200.0225 13.71725 ?        ?        0.000000       13.71725 
1 1 1 23  24 10 o 35.47220 16.98950 -134.8895      100.8743 -134.8895      100.8743 0.000000       0.000000 35.47220 16.98950 ?        ?        0.000000       16.98950 
1 1 1 23  24 11 o 184.1391 36.45938 1167.976       379.8008 1167.976       379.8008 0.000000       0.000000 184.1391 36.45938 ?        ?        0.000000       36.45938 
1 1 1 23  24 12 o 146.2552 15.78298 652.8408       133.2375 652.8408       133.2375 0.000000       0.000000 146.2552 15.78298 ?        ?        0.000000       15.78298 
1 1 1 23  24 13 o 80.83813 22.91422 210.5610       113.5913 210.5610       113.5913 0.000000       0.000000 80.83813 22.91422 ?        ?        0.000000       22.91422 
1 1 1 23  24 14 o 170.9809 14.02439 885.9177       139.3965 885.9177       139.3965 0.000000       0.000000 170.9809 14.02439 ?        ?        0.000000       14.02439 
1 1 1 23  24 15 o 38.17979 18.06612 -114.1582      107.2434 -114.1582      107.2434 0.000000       0.000000 38.17979 18.06612 ?        ?        0.000000       18.06612 
1 1 1 23  24 16 o 161.0972 15.35280 794.8770       143.3009 794.8770       143.3009 0.000000       0.000000 161.0972 15.35280 ?        ?        0.000000       15.35280 
1 1 1 23  24 17 o 80.87437 23.67645 214.6274       119.4485 280.9832       127.3025 -273.9045      345.4171 92.16266 23.48724 67.61002 32.11750 24.55264       39.78925 
1 1 1 23  24 18 o 80.01550 23.90497 210.5364       120.7601 294.5367       130.3018 -300.8193      321.4932 94.15128 23.63613 63.67791 30.45328 30.47337       38.54956 
1 1 1 23  24 19 f 84.38010 24.06100 236.9493       124.8741 296.2465       136.4762 -67.99390      309.4919 93.97061 24.51170 72.09489 32.91509 21.87572       41.03933 
1 1 1 23  24 20 o 41.02772 19.36197 -116.9205      121.6593 -164.3215      134.7467 92.15211       282.9912 40.96992 19.62616 78.42790 33.82183 -37.45798      39.10374 
1 1 1 23  24 21 o 119.0923 18.81917 453.0688       127.0805 351.8520       150.3235 706.5852       237.9049 101.5137 25.33218 141.8376 29.55967 -40.32391      38.92934 
1 1 1 23  24 22 o 70.21798 24.52465 155.1943       124.2599 122.7169       145.6352 242.1176       238.2559 67.40031 26.01144 86.41786 33.29131 -19.01755      42.24815 
1 1 1 23  24 23 o 55.55581 23.16936 45.12517       125.4780 64.61616       149.0291 -2.343352      232.5717 61.01994 25.33285 65.97822 29.46653 -4.958279      38.85910 
1 1 1 23  24 24 o 108.8409 21.20166 392.0748       130.4682 415.4637       163.0928 350.5051       217.4293 109.2843 25.85331 97.16953 32.47814 12.11476       41.51172 
1 1 1 23  24 25 f 78.59428 24.22520 210.8298       122.6963 300.1566       160.5408 85.37353       190.2569 91.68897 27.60180 67.31433 28.33148 24.37464       39.55417 
1 1 1 23  24 26 o 70.83610 24.30210 164.9731       121.7837 222.9233       166.2724 97.90630       178.8736 80.37809 28.34619 67.01551 27.78183 13.36258       39.69051 
1 1 1 23  24 27 o 59.11953 23.36517 86.53880       119.8144 29.68361       173.2623 138.6435       165.8661 60.03708 26.17336 69.78181 27.51850 -9.744728      37.97779 
1 1 1 23  24 28 o 50.85442 21.86505 20.05706       117.5907 15.68216       168.0399 24.25518       164.6099 58.06593 25.53212 58.31710 25.46587 -0.2511749     36.06106 
1 1 1 23  24 29 o 36.07899 17.64303 -203.8205      124.1503 -192.1927      172.3253 -216.3686      179.0159 45.59995 21.93525 45.59278 22.03730 0.7171631E-02  31.09337 
1 1 1 23  24 30 o 43.31581 20.33286 -97.83067      131.0181 -191.4130      181.2941 4.476481       189.5570 46.97178 22.57030 59.56826 26.60318 -12.59649      34.88765 
1 1 1 23  24 31 o 44.01927 20.68284 -101.4800      136.1304 -296.4479      190.6485 101.3255       194.4427 44.06596 21.61405 67.67199 28.57034 -23.60603      35.82502 
1 1 1 23  25 0  o 266.1743 12.97033 2115.237       201.8637 2107.475       225.1630 2147.029       455.6761 265.0815 14.53896 258.0398 30.71255 7.041779       33.98002 
1 1 1 23  25 1  o 318.0818 30.70633 3252.643       565.7061 3252.643       565.7061 0.000000       0.000000 318.0818 30.70633 ?        ?        0.000000       30.70633 
1 1 1 23  25 2  o 165.2875 15.41322 825.8192       147.6891 787.0387       155.2652 1194.362       478.6423 160.9121 16.69493 181.8445 45.10159 -20.93237      48.09235 
1 1 1 23  25 3  o 51.10815 21.93355 1.897287       117.9178 -3.232436      121.8401 77.74426       468.5029 51.37411 22.17393 98.52170 42.99344 -47.14759      48.37478 
1 1 1 23  25 4  f 62.77908 30.60124 -561.1603      364.9443 -156.5338      527.4668 -932.7201      505.4549 92.96661 42.64146 69.09538 34.14022 23.87124       54.62462 
1 1 1 23  25 5  o 139.6111 16.19835 593.7044       130.1709 569.3516       134.7356 934.9540       504.3637 136.3499 17.23338 157.3569 49.21660 -21.00702      52.14656 
1 1 1 23  25 6  o 134.1862 17.20105 551.9684       132.2579 603.6533       137.6544 -68.72184      477.0303 140.4621 17.05949 91.87924 41.51807 48.58287       44.88626 
1 1 1 23  25 7  o 67.61194 23.11484 133.4031       110.1518 138.3305       113.2401 46.74121       474.9013 68.69605 23.43779 96.54911 42.66839 -27.85306      48.68184 
1 1 1 23  25 8  o 98.03886 21.07902 305.9738       117.5936 305.9738       117.5936 0.000000       0.000000 98.03886 21.07902 ?        ?        0.000000       21.07902 
1 1 1 23  25 9  o 228.2173 13.46077 1565.026       179.3643 1565.026       179.3643 0.000000       0.000000 228.2173 13.46077 ?        ?        0.000000       13.46077 
1 1 1 23  25 10 o 171.2236 13.29214 883.6101       132.4331 883.6101       132.4331 0.000000       0.000000 171.2236 13.29214 ?        ?        0.000000       13.29214 
1 1 1 23  25 11 o 151.5036 40.40741 846.4155       365.6214 846.4155       365.6214 0.000000       0.000000 151.5036 40.40741 ?        ?        0.000000       40.40741 
1 1 1 23  25 12 o 164.7236 13.64891 821.5139       130.6747 821.5139       130.6747 0.000000       0.000000 164.7236 13.64891 ?        ?        0.000000       13.64891 
1 1 1 23  25 13 o 123.0499 15.71137 466.6584       110.7996 466.6584       110.7996 0.000000       0.000000 123.0499 15.71137 ?        ?        0.000000       15.71137 
1 1 1 23  25 14 o 184.3408 13.11771 1027.600       140.8910 1027.600       140.8910 0.000000       0.000000 184.3408 13.11771 ?        ?        0.000000       13.11771 
1 1 1 23  25 15 o 190.1460 13.21649 1094.750       146.4679 1094.750       146.4679 0.000000       0.000000 190.1460 13.21649 ?        ?        0.000000       13.21649 
1 1 1 23  25 16 o 58.97420 22.20364 89.26543       104.4615 69.93151       109.8081 273.4237       338.8989 56.92345 22.40807 95.93997 38.82512 -39.01653      44.82758 
1 1 1 23  25 17 o 117.8610 17.26077 435.7954       115.7753 424.3234       123.1675 522.8536       339.2973 115.5883 18.81559 116.4055 40.53390 -0.8172073     44.68807 
1 1 1 23  25 18 o 170.4722 13.24342 883.8431       131.3670 948.5296       143.7150 555.1965       323.9364 176.2598 14.01806 119.2940 39.63698 56.96583       42.04279 
1 1 1 23  25 19 o 52.63621 21.64861 42.53162       107.4607 41.57084       115.0604 49.09247       300.6710 53.81652 22.29340 76.99249 33.99155 -23.17597      40.64998 
1 1 1 23  25 20 o 94.37675 20.12306 291.3072       107.9773 194.4042       117.8769 796.6177       269.1778 76.52840 23.77122 148.5131 31.85954 -71.98470      39.75049 
1 1 1 23  25 21 o 78.11704 22.09776 203.7370       105.7503 118.4938       120.5898 487.5568       220.0401 64.38649 23.93417 115.0293 31.63431 -50.64283      39.66830 
1 1 1 23  25 22 o 102.7664 19.18083 342.8770       111.3523 359.7263       128.1109 290.8173       225.1888 104.0054 21.70552 90.58219 32.86617 13.42322       39.38673 
1 1 1 23  25 23 o 106.5385 18.74782 367.5460       112.8651 422.8621       136.9857 250.6228       199.1589 112.8985 21.47334 85.14925 30.90640 27.74927       37.63389 
1 1 1 23  25 24 o 56.29494 24.90208 -1.799181      162.1239 -342.6294      337.5172 100.4267       184.8448 61.78278 29.95731 68.04607 28.22829 -6.263298      41.16159 
1 1 1 23  25 25 o 130.3324 22.18084 569.0519       163.4760 365.6729       340.1272 630.1473       186.4201 96.80833 38.99542 135.6448 24.32736 -38.83648      45.96154 
1 1 1 23  25 26 o 111.0307 17.59307 397.7059       110.7459 339.5740       146.6008 474.9744       169.0170 97.92342 25.33577 116.1839 25.50537 -18.26049      35.95031 
1 1 1 23  25 27 o 84.59006 21.24587 243.3129       105.2445 286.6947       150.7981 202.1153       146.9528 89.12303 26.73351 76.61255 26.67588 12.51048       37.76616 
1 1 1 23  25 28 o 213.0441 10.34971 1373.358       128.9278 1142.578       184.8371 1592.034       179.9251 189.5500 16.80086 226.9333 13.58109 -37.38327      21.60359 
1 1 1 23  25 29 o 126.6041 15.55372 508.3392       113.0628 417.9255       166.5348 585.6454       153.9909 107.1718 26.61657 132.6019 20.45873 -25.43010      33.57084 
1 1 1 23  25 30 o 49.71716 21.44067 18.31230       113.7277 -88.75321      177.8302 92.40619       147.9353 51.76652 24.09830 62.36277 25.49667 -10.59624      35.08287 
1 1 1 23  25 31 o 108.6583 20.41891 397.9876       125.3445 95.50957       199.6483 594.7852       161.0381 67.25516 28.69352 132.5101 21.45483 -65.25493      35.82775 
1 1 1 23  26 0  o 270.4160 21.37574 2261.532       336.2480 1976.671       505.2400 2488.016       450.5058 240.9736 36.92500 278.7647 27.93159 -37.79112      46.29935 
1 1 1 23  26 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  26 2  o 105.6096 20.34872 352.0185       121.4644 388.0451       126.3064 -91.03229      442.9353 111.0862 20.12810 87.38657 39.69429 23.69968       44.50592 
1 1 1 23  26 3  o 101.2596 19.77209 323.3481       113.2048 318.8038       117.3188 384.7553       431.2628 100.2544 20.64129 112.8124 44.40806 -12.55803      48.97079 
1 1 1 23  26 4  f 40.56166 18.45156 -52.23770      96.14318 -42.04577      98.15336 -293.4466      477.5003 42.02129 18.92468 82.40521 38.72435 -40.38392      43.10126 
1 1 1 23  26 5  o 37.41226 17.64176 -104.4175      100.6376 -89.96119      103.3713 -366.9483      440.5150 39.17729 18.28284 76.21996 36.22555 -37.04267      40.57773 
1 1 1 23  26 6  o 60.81007 22.37973 96.49457       104.9691 121.7399       107.9860 -336.4660      447.1996 65.21193 22.85621 77.63667 36.78242 -12.42474      43.30534 
1 1 1 23  26 7  o 210.5607 12.00010 1328.022       147.5743 1292.435       155.9826 1631.673       455.6308 207.3773 12.88892 215.8619 37.34135 -8.484650      39.50317 
1 1 1 23  26 8  o 251.0904 12.33465 1890.202       181.0825 1890.202       181.0825 0.000000       0.000000 251.0904 12.33465 ?        ?        0.000000       12.33465 
1 1 1 23  26 9  o 149.4632 14.04038 678.3188       121.6319 678.3188       121.6319 0.000000       0.000000 149.4632 14.04038 ?        ?        0.000000       14.04038 
1 1 1 23  26 10 o 147.3482 14.79166 662.7330       126.0969 662.7330       126.0969 0.000000       0.000000 147.3482 14.79166 ?        ?        0.000000       14.79166 
1 1 1 23  26 11 o 184.6362 13.09710 1030.268       140.9010 1030.268       140.9010 0.000000       0.000000 184.6362 13.09710 ?        ?        0.000000       13.09710 
1 1 1 23  26 12 o 196.3127 12.16259 1160.378       139.3435 1160.378       139.3435 0.000000       0.000000 196.3127 12.16259 ?        ?        0.000000       12.16259 
1 1 1 23  26 13 o 71.40125 21.72686 163.4656       99.09892 163.4656       99.09892 0.000000       0.000000 71.40125 21.72686 ?        ?        0.000000       21.72686 
1 1 1 23  26 14 o 96.24347 18.76825 296.0301       102.1299 296.0301       102.1299 0.000000       0.000000 96.24347 18.76825 ?        ?        0.000000       18.76825 
1 1 1 23  26 15 o 81.54844 21.68064 218.3508       105.4675 218.3508       105.4675 0.000000       0.000000 81.54844 21.68064 ?        ?        0.000000       21.68064 
1 1 1 23  26 16 o 71.18324 21.85730 163.6254       99.99928 227.8457       104.8770 -478.9958      331.7582 83.26082 21.37127 58.80783 28.77534 24.45298       35.84343 
1 1 1 23  26 17 o 75.65849 21.38488 187.9022       99.07839 212.8596       104.7168 -25.30815      306.0703 80.28583 21.71860 73.39635 33.20252 6.889481       39.67499 
1 1 1 23  26 18 o 66.00529 21.49152 138.2134       95.41784 115.5901       100.3705 350.6296       307.5547 62.32574 22.01969 98.93434 37.89811 -36.60860      43.83074 
1 1 1 23  26 19 o 175.7171 11.86981 935.9635       121.6053 905.9070       133.6859 1080.082       292.7359 172.1232 13.34752 175.4110 29.50167 -3.287796      32.38063 
1 1 1 23  26 20 o 66.85841 21.23302 144.5630       93.53682 199.2280       104.7982 -69.56895      207.4150 77.22246 22.04941 58.54173 26.80978 18.68073       34.71225 
1 1 1 23  26 21 o 87.23251 19.22440 249.4234       95.69594 243.9608       107.0404 271.1738       213.5911 85.36543 21.41838 87.98567 31.99634 -2.620239      38.50341 
1 1 1 23  26 22 o 117.7195 14.78794 432.5436       99.84827 390.7759       114.0745 569.3713       206.4693 110.0914 18.31081 126.0812 28.58407 -15.98975      33.94606 
1 1 1 23  26 23 o 42.29778 20.55082 -228.8410      160.9615 -295.0126      335.1084 -208.9957      183.5177 62.94171 30.35569 47.05085 22.63400 15.89087       37.86510 
1 1 1 23  26 24 f 122.0263 13.96891 463.1834       98.16959 507.5690       118.9396 368.3237       173.8787 126.4823 16.42144 100.3572 28.31706 26.12514       32.73407 
1 1 1 23  26 25 o 63.96677 24.93549 112.7615       134.8634 119.9414       322.4255 111.2389       148.4758 79.16421 35.06311 65.05783 25.91399 14.10638       43.59996 
1 1 1 23  26 26 o 69.57610 20.35509 162.2890       88.31219 252.5790       116.8101 41.82560       134.9237 85.39335 22.86832 55.76195 23.68199 29.63140       32.92107 
1 1 1 23  26 27 o 197.0587 9.639688 1170.858       111.0681 1316.792       155.5186 1018.936       158.6771 206.8132 12.88595 180.1940 15.15526 26.61929       19.89295 
1 1 1 23  26 28 o 96.53949 16.58643 301.2402       90.52625 223.3161       112.9109 441.4699       151.4677 80.00044 22.90124 112.4678 23.71188 -32.46733      32.96544 
1 1 1 23  26 29 o 33.85519 16.16377 -102.4298      89.76627 -97.14574      111.2157 -112.3068      152.0523 39.24642 18.51858 46.18927 21.75112 -6.942856      28.56657 
1 1 1 23  26 30 o 33.65763 15.97783 -88.26005      85.19889 -113.7844      126.1480 -66.85174      115.5298 41.17472 19.51587 42.25211 19.58491 -1.077393      27.64847 
1 1 1 23  27 0  o 200.4828 12.65826 1207.609       148.0740 1239.958       159.6671 1008.797       395.8247 202.8295 13.49934 165.5132 40.99319 37.31628       43.15871 
1 1 1 23  27 1  o 330.1276 19.15153 3358.592       369.2048 2530.280       504.3388 4315.080       541.9573 274.9544 31.86530 367.8923 25.27203 -92.93793      40.67029 
1 1 1 23  27 2  o 121.2547 17.03450 455.2228       117.8017 506.2029       123.0228 -107.4322      408.7014 128.0647 16.78319 82.09875 37.61131 45.96595       41.18599 
1 1 1 23  27 3  o 32.99864 15.98032 -149.1888      95.26813 -176.4861      97.85810 346.1238       416.8469 32.12593 15.70007 107.3136 43.18997 -75.18770      45.95504 
1 1 1 23  27 4  o 55.09435 21.52965 64.07801       100.7386 85.78779       103.5970 -313.1401      431.8328 58.77188 22.11500 76.20098 36.11477 -17.42910      42.34797 
1 1 1 23  27 5  o 48.48927 24.40856 -873.1642      315.9630 -448.3414      454.2775 -1271.259      439.7547 73.92303 35.57373 55.33083 27.96739 18.59220       45.25114 
1 1 1 23  27 6  o 76.97890 22.13119 191.1537       105.2283 212.5120       108.6749 -129.6425      421.1732 80.92510 22.22231 81.53693 37.65342 -0.6118317     43.72197 
1 1 1 23  27 7  o 182.1354 12.63520 1000.226       134.1301 1029.151       141.6646 749.7920       416.8402 184.5428 13.17590 137.3466 44.93277 47.19617       46.82476 
1 1 1 23  27 8  f 141.9108 15.08371 617.1458       123.6168 617.1458       123.6168 0.000000       0.000000 141.9108 15.08371 ?        ?        0.000000       15.08371 
1 1 1 23  27 9  o 206.9206 12.60310 1291.274       152.2183 1291.274       152.2183 0.000000       0.000000 206.9206 12.60310 ?        ?        0.000000       12.60310 
1 1 1 23  27 10 o 85.15221 20.40298 235.1555       100.5568 235.1555       100.5568 0.000000       0.000000 85.15221 20.40298 ?        ?        0.000000       20.40298 
1 1 1 23  27 11 o 34.86279 16.38096 -81.90270      85.39976 -81.90270      85.39976 0.000000       0.000000 34.86279 16.38096 ?        ?        0.000000       16.38096 
1 1 1 23  27 12 o 83.27563 20.30519 225.6761       98.26134 225.6761       98.26134 0.000000       0.000000 83.27563 20.30519 ?        ?        0.000000       20.30519 
1 1 1 23  27 13 o 146.9281 13.89446 659.7294       118.3062 659.7294       118.3062 0.000000       0.000000 146.9281 13.89446 ?        ?        0.000000       13.89446 
1 1 1 23  27 14 o 87.80856 21.02679 252.8501       106.8501 252.8501       106.8501 0.000000       0.000000 87.80856 21.02679 ?        ?        0.000000       21.02679 
1 1 1 23  27 15 o 160.1969 40.16508 1010.159       376.6130 1010.159       376.6130 0.000000       0.000000 160.1969 40.16508 ?        ?        0.000000       40.16508 
1 1 1 23  27 16 o 55.17759 20.99516 76.33617       93.98170 76.33617       93.98170 0.000000       0.000000 55.17759 20.99516 ?        ?        0.000000       20.99516 
1 1 1 23  27 17 o 75.95141 20.02019 189.7333       90.42303 222.5462       95.47016 -96.21935      281.8336 82.25856 19.98861 66.49554 30.74064 15.76302       36.66785 
1 1 1 23  27 18 o 61.41125 20.53105 117.6265       86.88696 123.2798       91.32346 63.64657       282.1955 62.75493 21.04971 75.11278 33.05521 -12.35785      39.18848 
1 1 1 23  27 19 o 59.76034 20.15555 110.4779       83.72398 80.81812       88.59386 358.2303       256.0524 54.89846 20.49367 97.75404 35.10192 -42.85558      40.64647 
1 1 1 23  27 20 o 46.69621 18.72306 41.34266       78.02504 90.77505       84.87895 -228.1887      198.1978 56.08821 20.20126 48.72609 23.46075 7.362118       30.95961 
1 1 1 23  27 21 o 115.7128 13.29075 413.7633       88.55911 453.9066       98.18663 238.6519       205.0705 120.8764 14.11577 83.56048 31.18225 37.31588       34.22847 
1 1 1 23  27 22 o 112.2017 12.89422 388.7997       83.30826 408.5694       94.80204 321.7768       174.5540 114.3342 14.46103 93.77047 28.89310 20.56371       32.30995 
1 1 1 23  27 23 o 98.25999 14.27394 303.0775       79.85233 302.9067       93.55100 303.5358       153.2739 96.92411 17.08146 91.86833 26.79916 5.055779       31.78005 
1 1 1 23  27 24 o 50.32019 22.05238 3.448650       124.4112 94.73656       318.0825 -13.03904      135.1802 77.29101 34.49365 50.66374 22.55642 26.62727       41.21412 
1 1 1 23  27 25 o 43.21833 19.89268 -59.49777      116.1872 5.900005       324.6469 -69.10464      124.4288 72.93125 33.45235 44.14141 20.41321 28.78984       39.18876 
1 1 1 23  27 26 o 182.9122 8.892133 1005.260       95.10339 972.6180       127.8356 1045.719       142.3204 177.9592 12.32457 183.8893 13.28613 -5.930038      18.12226 
1 1 1 23  27 27 f 121.1347 11.01572 448.7177       77.40351 313.2188       102.1135 631.7297       118.6738 97.36929 18.55907 141.9221 14.45961 -44.55281      23.52699 
1 1 1 23  27 28 o 219.6028 7.847980 1441.504       100.9131 1387.525       151.7353 1484.315       135.1291 212.5991 12.22105 221.2394 10.44392 -8.640320      16.07574 
1 1 1 23  27 29 o 63.51807 16.95775 133.2057       64.35422 59.88212       90.90289 206.8780       91.11871 51.00415 20.28954 77.99107 19.86832 -26.98692      28.39746 
1 1 1 23  28 0  o 212.6581 12.18887 1360.283       151.3815 1409.259       162.6289 1042.496       414.2602 216.1470 12.88767 164.1289 42.65234 52.01814       44.55686 
1 1 1 23  28 1  f 89.09830 36.72868 189.7591       310.2434 171.8398       454.6309 205.3765       424.4256 97.14404 42.37291 97.22021 41.66546 -0.7617188E-01 59.42621 
1 1 1 23  28 2  o 85.76878 21.76863 239.8887       109.6676 227.9300       113.7598 397.1990       412.5956 83.45947 22.66230 108.6106 43.21933 -25.15114      48.80052 
1 1 1 23  28 3  o 144.3723 14.62539 637.3045       122.1281 690.6076       127.4135 34.52716       428.4675 150.3363 14.63619 88.50233 39.72512 61.83397       42.33561 
1 1 1 23  28 4  o 156.9736 13.80471 749.4483       125.7948 774.5862       131.2933 468.0448       439.2810 159.4438 14.18860 113.6839 44.79818 45.75990       46.99142 
1 1 1 23  28 5  o 30.83818 15.17285 -191.6987      96.30080 -194.2285      99.03358 -147.7472      412.7812 31.39771 15.43599 79.13271 36.79623 -47.73500      39.90278 
1 1 1 23  28 6  o 57.96308 21.42317 89.04938       96.36237 91.12981       99.15634 53.68565       408.8114 58.65509 21.72197 87.48819 39.07055 -28.83310      44.70293 
1 1 1 23  28 7  o 72.04642 21.14982 167.4305       95.20282 152.0080       97.82169 443.9503       414.2117 69.15436 21.68156 110.7344 43.54222 -41.58000      48.64170 
1 1 1 23  28 8  o 142.4174 14.47459 621.4673       119.2203 621.4673       119.2203 0.000000       0.000000 142.4174 14.47459 ?        ?        0.000000       14.47459 
1 1 1 23  28 9  o 239.6928 11.99795 1730.780       168.1239 1730.780       168.1239 0.000000       0.000000 239.6928 11.99795 ?        ?        0.000000       11.99795 
1 1 1 23  28 10 o 138.3197 14.06248 585.9371       112.4923 585.9371       112.4923 0.000000       0.000000 138.3197 14.06248 ?        ?        0.000000       14.06248 
1 1 1 23  28 11 o 98.27769 41.07380 285.8488       395.5836 285.8488       395.5836 0.000000       0.000000 98.27769 41.07380 ?        ?        0.000000       41.07380 
1 1 1 23  28 12 o 155.5370 13.34049 737.5281       120.5161 737.5281       120.5161 0.000000       0.000000 155.5370 13.34049 ?        ?        0.000000       13.34049 
1 1 1 23  28 13 o 91.52074 19.30882 271.4492       100.3754 271.4492       100.3754 0.000000       0.000000 91.52074 19.30882 ?        ?        0.000000       19.30882 
1 1 1 23  28 14 o 122.0211 15.27522 462.8807       106.9248 462.8807       106.9248 0.000000       0.000000 122.0211 15.27522 ?        ?        0.000000       15.27522 
1 1 1 23  28 15 o 106.7606 16.15626 358.8980       97.99904 358.8980       97.99904 0.000000       0.000000 106.7606 16.15626 ?        ?        0.000000       16.15626 
1 1 1 23  28 16 o 173.1956 11.21711 907.1092       113.3251 950.9775       122.2629 639.5529       301.9445 177.0457 11.84305 126.1496 37.82611 50.89610       39.63675 
1 1 1 23  28 17 o 100.8890 15.37893 320.0450       88.12245 329.6459       93.36269 241.6492       266.7865 102.0908 16.12825 86.87714 34.69297 15.21365       38.25863 
1 1 1 23  28 18 o 100.7491 15.43110 319.7688       88.27848 358.9306       93.34071 -12.17897      271.7531 106.8935 15.32708 69.12494 31.27652 37.76856       34.83016 
1 1 1 23  28 19 o 97.50909 14.40206 297.7194       79.88533 330.3259       86.30679 102.7376       211.0522 102.6433 14.76117 70.81695 29.82461 31.82631       33.27761 
1 1 1 23  28 20 o 48.89631 17.88149 65.38237       66.84547 69.44005       71.65297 38.15173       185.6197 50.36198 18.49769 62.51988 27.17523 -12.15790      32.87336 
1 1 1 23  28 21 o 141.6999 10.53034 608.5157       86.88543 545.3089       99.21339 816.4963       179.9698 133.0327 12.87714 158.2433 19.82601 -25.21062      23.64088 
1 1 1 23  28 22 o 54.85715 23.56728 29.87390       136.4075 -40.07958      327.6654 44.53883       150.0258 71.37120 33.04773 58.19896 24.85281 13.17224       41.34990 
1 1 1 23  28 23 o 171.4247 13.43409 908.6187       133.9835 697.7145       337.2932 948.1330       145.9963 124.0748 40.40751 174.4745 14.39586 -50.39971      42.89531 
1 1 1 23  28 24 o 51.92442 16.10321 85.45532       54.11824 115.2521       62.70589 -1.530831      107.1392 59.46577 17.08035 46.57949 20.43726 12.88628       26.63493 
1 1 1 23  28 25 o 104.0324 9.913510 329.0190       59.75446 438.7874       76.44023 156.5496       95.81624 119.8035 11.00207 68.13144 21.47169 51.67207       24.12632 
1 1 1 23  28 26 o 88.97171 15.08246 253.0284       75.89185 -277.0710      400.5748 272.7643       77.29169 67.41189 32.67477 92.61787 14.72155 -25.20598      35.83803 
1 1 1 23  28 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  29 0  o 159.8829 13.73380 778.9034       127.5320 589.2505       456.9619 794.9232       132.8090 120.5940 46.19515 161.3316 14.18061 -40.73756      48.32268 
1 1 1 23  29 1  o 105.4746 18.03890 352.3766       107.5783 334.8051       442.6593 353.4795       110.9032 103.7935 43.41907 105.3997 18.62218 -1.606148      47.24406 
1 1 1 23  29 2  o 116.1747 15.68881 418.9190       104.1641 375.0369       442.6333 421.4916       107.1740 106.1433 43.82443 116.3547 16.13962 -10.21145      46.70190 
1 1 1 23  29 3  o 167.6806 12.37809 850.6279       120.8689 52.91402       434.5155 917.5304       125.8354 88.46515 39.83152 174.1719 12.40006 -85.70674      41.71704 
1 1 1 23  29 4  o 85.50427 36.10020 157.3257       310.4593 201.1229       446.1862 116.2204       432.2566 96.22211 41.97404 91.19251 40.48328 5.029602       58.31566 
1 1 1 23  29 5  o 114.8164 38.23462 501.4603       301.3834 183.8944       435.1071 794.3452       417.8571 94.57763 41.34920 137.4326 44.98914 -42.85497      61.10466 
1 1 1 23  29 6  o 87.99506 36.01225 208.3481       295.4912 518.6813       425.8206 -79.89042      410.3822 114.7168 44.42244 80.54633 37.18598 34.17051       57.93229 
1 1 1 23  29 7  o 73.28410 33.08778 -25.39430      302.2372 -209.9462      434.8578 147.0624       420.3664 77.50901 36.58671 91.53082 40.30979 -14.02180      54.43773 
1 1 1 23  29 8  o 145.1674 13.44433 643.3135       113.1611 643.3135       113.1611 0.000000       0.000000 145.1674 13.44433 ?        ?        0.000000       13.44433 
1 1 1 23  29 9  o 133.4653 13.75329 545.8751       106.1132 545.8751       106.1132 0.000000       0.000000 133.4653 13.75329 ?        ?        0.000000       13.75329 
1 1 1 23  29 10 o 304.1375 13.80031 2816.942       245.5141 2816.942       245.5141 0.000000       0.000000 304.1375 13.80031 ?        ?        0.000000       13.80031 
1 1 1 23  29 11 o 95.62008 17.57550 291.8641       94.93057 291.8641       94.93057 0.000000       0.000000 95.62008 17.57550 ?        ?        0.000000       17.57550 
1 1 1 23  29 12 o 75.37530 20.36592 186.9883       92.14474 186.9883       92.14474 0.000000       0.000000 75.37530 20.36592 ?        ?        0.000000       20.36592 
1 1 1 23  29 13 o 78.82153 18.94273 203.1670       86.47578 203.1670       86.47578 0.000000       0.000000 78.82153 18.94273 ?        ?        0.000000       18.94273 
1 1 1 23  29 14 o 84.48318 18.16587 231.7330       87.33033 231.7330       87.33033 0.000000       0.000000 84.48318 18.16587 ?        ?        0.000000       18.16587 
1 1 1 23  29 15 o 39.27013 17.00556 -1.125538      72.13220 -1.125538      72.13220 0.000000       0.000000 39.27013 17.00556 ?        ?        0.000000       17.00556 
1 1 1 23  29 16 o 58.82280 18.45823 110.0161       70.88278 124.4773       73.31092 -97.50668      277.7151 62.08307 18.64380 65.23971 30.28326 -3.156639      35.56216 
1 1 1 23  29 17 o 139.1432 11.31474 588.4919       91.53687 603.5608       97.07679 467.6566       274.8988 140.6747 11.87742 107.7563 36.52142 32.91839       38.40426 
1 1 1 23  29 18 o 47.89439 17.69645 61.11703       65.74382 97.44154       68.50900 -361.8079      233.7650 55.79386 18.21365 48.68269 23.88976 7.111176       30.04094 
1 1 1 23  29 19 o 157.7513 18.10901 798.1734       164.5054 400.3690       303.2765 964.0127       195.8158 99.29522 37.73098 172.1701 19.74989 -72.87489      42.58738 
1 1 1 23  29 20 o 127.0662 22.61630 546.6395       162.3612 142.1884       343.4402 663.0474       184.2508 81.73523 36.19550 139.6296 23.32193 -57.89441      43.05841 
1 1 1 23  29 21 o 69.60462 25.15053 157.3224       131.6931 56.81377       343.4274 174.6499       142.5937 76.76930 34.90319 72.52483 26.17541 4.244469       43.62779 
1 1 1 23  29 22 o 99.80135 17.43068 323.4007       98.31303 321.0400       351.2152 323.6014       102.4070 91.93928 38.58203 99.39561 18.23952 -7.456337      42.67615 
1 1 1 23  29 23 o 57.62655 20.11766 103.0401       83.60866 17.20788       362.6458 107.8586       85.92343 75.59335 34.91959 58.69383 20.40024 16.89952       40.44191 
1 1 1 23  29 24 o 96.00133 40.15722 400.2477       378.6169 400.2477       378.6169 0.000000       0.000000 96.00133 40.15722 ?        ?        0.000000       40.15722 
1 1 1 23  29 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 23  29 26 o 80.26346 37.32941 71.51774       425.1584 71.51774       425.1584 0.000000       0.000000 80.26346 37.32941 ?        ?        0.000000       37.32941 
1 1 1 23  30 0  o 320.0226 9.741525 3059.549       182.6216 2784.687       484.3545 3105.098       197.1738 285.0364 29.39537 321.9481 10.45657 -36.91165      31.19980 
1 1 1 23  30 1  o 42.26882 19.54440 -75.28301      114.0019 -18.86171      435.6165 -79.43131      118.1185 84.40678 38.72865 42.85785 19.84388 41.54893       43.51652 
1 1 1 23  30 2  o 123.9141 16.99748 481.9213       120.2734 67.27760       448.6774 514.0232       124.8425 88.92945 40.21753 128.0073 17.05327 -39.07786      43.68368 
1 1 1 23  30 3  o 52.92192 21.82788 41.62929       109.6566 771.5552       448.7068 -4.733229      113.0855 132.3195 46.57402 48.35158 21.11088 83.96793       51.13520 
1 1 1 23  30 4  o 131.6082 15.34196 536.6975       116.1990 -616.6193      439.3380 623.4438       120.4897 65.93423 32.43420 142.2797 14.64874 -76.34547      35.58880 
1 1 1 23  30 5  o 70.67523 23.62491 159.0618       115.0469 149.0042       387.6659 160.0332       120.4743 88.95614 38.95731 71.09785 24.17637 17.85829       45.84941 
1 1 1 23  30 6  o 77.53772 22.86463 199.3400       111.0556 -228.0516      383.4146 238.4804       116.0294 71.71988 34.00240 84.46100 22.86745 -12.74112      40.97663 
1 1 1 23  30 7  o 38.94622 18.15943 -80.23299      101.6292 -360.4926      389.9946 -59.81461      105.2662 67.80139 32.71137 41.45248 19.02657 26.34891       37.84236 
1 1 1 23  30 8  o 87.49172 20.06081 251.0706       100.7354 252.7656       394.3649 250.9523       104.1919 94.36676 40.29576 87.23116 20.68254 7.135605       45.29367 
1 1 1 23  30 9  o 117.7139 14.87044 430.6936       100.3736 528.1853       400.5999 424.1631       103.6808 112.4819 43.21068 116.5002 15.56375 -4.018234      45.92813 
1 1 1 23  30 10 f 86.26136 20.74342 246.6781       103.6484 802.2940       423.3913 211.2575       106.9012 132.8719 45.32005 79.43993 22.12769 53.43201       50.43353 
1 1 1 23  30 11 o 56.33678 21.49262 81.63062       98.65161 691.8540       414.8490 45.05448       101.5651 123.4249 44.63305 51.57793 21.11125 71.84693       49.37403 
1 1 1 23  30 12 o 107.6250 17.37391 369.9033       105.9295 231.0114       388.1778 381.0786       110.1086 91.15255 39.46118 109.0413 17.83379 -17.88874      43.30391 
1 1 1 23  30 13 o 44.61536 19.92981 -24.61504      106.4494 -279.3744      363.0008 -0.6458684     111.3446 66.67911 32.01316 47.98584 20.94954 18.69327       38.25867 
1 1 1 23  30 14 o 138.3062 14.82191 595.3930       118.3525 0.000000       0.000000 595.3930       118.3525 ?        ?        138.3062 14.82191 0.000000       14.82191 
1 1 1 23  30 15 o 142.2253 12.61808 620.1329       104.1585 201.1071       322.1386 669.0545       110.0710 85.37051 36.43579 147.6549 12.83834 -62.28440      38.63146 
1 1 1 23  30 16 o 60.73733 20.51352 116.1901       86.72445 12.08207       320.3602 124.4228       90.08823 74.00324 33.67097 62.48032 20.90616 11.52292       39.63334 
1 1 1 23  30 17 o 39.70580 17.68801 -19.09780      83.24904 436.1793       317.0126 -52.81982      86.27706 102.1270 38.62904 37.10108 17.10048 65.02594       42.24487 
1 1 1 23  30 18 o 100.2423 15.04865 317.7287       85.74136 417.4392       309.1206 309.4181       89.24301 100.1322 38.08248 98.44736 16.00611 1.684883       41.30945 
1 1 1 23  30 19 o 100.8004 12.97689 315.9048       74.93771 -74.61613      311.1299 339.9548       77.21075 68.15101 31.77563 104.6745 12.84630 -36.52350      34.27417 
1 1 1 23  30 20 o 45.86634 20.47432 -18.70670      112.1390 -22.54000      333.1069 -18.21674      119.0901 72.07371 33.35480 47.23864 21.09228 24.83506       39.46425 
1 1 1 23  30 21 o 63.63343 30.69949 -260.9337      343.4291 -260.9337      343.4291 0.000000       0.000000 63.63343 30.69949 ?        ?        0.000000       30.69949 
1 1 1 23  30 22 o 78.45222 36.03320 70.06139       378.4053 70.06139       378.4053 0.000000       0.000000 78.45222 36.03320 ?        ?        0.000000       36.03320 
1 1 1 23  30 23 f 69.21741 33.34498 -212.9051      401.6627 -212.9051      401.6627 0.000000       0.000000 69.21741 33.34498 ?        ?        0.000000       33.34498 
1 1 1 23  30 24 o 93.09912 40.67148 357.3597       420.2553 357.3597       420.2553 0.000000       0.000000 93.09912 40.67148 ?        ?        0.000000       40.67148 
1 1 1 23  30 25 o 84.64142 38.64108 188.0104       426.4604 188.0104       426.4604 0.000000       0.000000 84.64142 38.64108 ?        ?        0.000000       38.64108 
1 1 1 23  31 0  o 121.4996 17.43163 467.4521       120.6590 439.2186       405.0628 470.2013       126.3969 106.1751 42.62951 121.4105 18.32102 -15.23537      46.39973 
1 1 1 23  31 1  o 247.2707 21.56134 1975.981       309.5551 1637.654       431.5046 2334.720       444.3312 208.1710 36.68369 258.5045 29.85615 -50.33350      47.29781 
1 1 1 23  31 2  o 55.61509 22.82179 53.25312       119.0732 -27.13200      414.2159 60.49430       124.3207 81.30284 37.47213 57.26984 23.38894 24.03300       44.17242 
1 1 1 23  31 3  o 63.47511 24.18281 108.6884       124.7846 -251.1747      420.3985 143.4574       130.6739 73.48611 35.05596 68.87174 25.02943 4.614372       43.07427 
1 1 1 23  31 4  o 86.10524 24.15339 252.3679       126.8925 -207.9149      431.3613 295.9715       132.7669 75.67436 35.93195 93.18168 24.11169 -17.50732      43.27215 
1 1 1 23  31 5  o 57.30629 22.92657 70.37285       116.7267 -407.9096      422.2071 109.9556       121.4608 68.71955 33.36393 63.21658 23.91091 5.502968       41.04733 
1 1 1 23  31 6  o 80.51735 22.72187 218.3841       111.9463 80.20824       416.6528 229.1350       116.2198 85.44743 38.68815 82.30498 23.12531 3.142456       45.07275 
1 1 1 23  31 7  o 81.37168 22.21689 222.9505       108.9815 -176.7458      431.4543 250.1899       112.6338 76.10271 36.07721 86.17641 22.16202 -10.07370      42.34052 
1 1 1 23  31 8  o 47.77604 20.70766 4.901855       107.1526 64.68533       439.4689 1.123106       110.4871 85.50996 39.10905 48.02660 20.91963 37.48337       44.35255 
1 1 1 23  31 9  o 91.98386 21.36995 283.1666       113.0764 464.5893       426.7720 269.4686       117.2675 105.7509 43.27887 89.21538 22.43728 16.53551       48.74928 
1 1 1 23  31 10 o 83.98793 21.77662 237.7358       108.1500 -162.0519      425.7855 265.3076       111.8171 75.71185 35.87651 88.80835 21.66445 -13.09650      41.91029 
1 1 1 23  31 11 o 100.7797 20.64781 336.7697       117.9321 226.0773       410.1694 346.7450       123.1314 91.00115 39.95601 101.9514 21.28178 -10.95024      45.27027 
1 1 1 23  31 12 o 69.13213 24.52544 152.2935       124.6212 109.9399       371.5548 157.6620       132.2839 82.79259 37.09063 70.34053 25.23356 12.45206       44.86031 
1 1 1 23  31 13 o 123.1038 17.33388 484.2103       121.6855 1409.081       348.5224 355.8132       129.8577 195.9563 31.38529 102.5583 22.23215 93.39806       38.46173 
1 1 1 23  31 14 f 49.20736 20.76705 27.49634       102.6709 114.3189       325.7265 17.91851       108.1858 79.59529 35.24870 49.10407 21.03997 30.49122       41.05059 
1 1 1 23  31 15 o 87.20695 19.29634 252.3133       96.07533 851.0303       332.0120 197.5969       100.3695 141.6087 38.82433 76.31042 21.50807 65.29827       44.38384 
1 1 1 23  31 16 o 62.40578 21.04983 124.9663       91.31828 56.51940       331.8866 130.5726       94.98453 76.26450 34.52988 63.60962 21.46823 12.65489       40.65953 
1 1 1 23  31 17 o 94.64883 16.74178 289.2885       89.53319 193.1186       341.6411 296.3805       92.77576 83.84407 36.64856 95.60674 17.17743 -11.76267      40.47445 
1 1 1 23  31 18 o 161.5108 8.975899 784.4044       84.68735 665.8359       353.4539 791.6257       87.22815 118.8275 41.37126 162.1487 9.210482 -43.32119      42.38413 
1 1 1 23  31 19 o 42.51503 19.30565 -38.06210      104.6688 -101.1112      328.7116 -30.94811      110.4161 68.10166 32.04234 44.34293 20.01196 23.75873       37.77818 
1 1 1 23  31 20 o 89.77628 37.78158 306.5313       338.2936 306.5313       338.2936 0.000000       0.000000 89.77628 37.78158 ?        ?        0.000000       37.78158 
1 1 1 23  31 21 o 68.54777 33.04425 -219.9583      396.0072 -219.9583      396.0072 0.000000       0.000000 68.54777 33.04425 ?        ?        0.000000       33.04425 
1 1 1 23  31 22 o 72.00822 34.63809 -175.5471      429.6700 -175.5471      429.6700 0.000000       0.000000 72.00822 34.63809 ?        ?        0.000000       34.63809 
1 1 1 23  31 23 o 61.19616 30.48384 -634.9331      435.6211 -634.9331      435.6211 0.000000       0.000000 61.19616 30.48384 ?        ?        0.000000       30.48384 
1 1 1 23  31 24 o 86.25092 39.44755 224.7169       447.0949 224.7169       447.0949 0.000000       0.000000 86.25092 39.44755 ?        ?        0.000000       39.44755 
1 1 1 23  32 0  o 159.4535 15.06332 790.6924       139.1961 1697.691       410.8020 673.0508       147.9482 212.9142 34.04495 145.4546 17.70777 67.45963       38.37478 
1 1 1 23  32 1  o 99.49255 22.95721 336.1578       131.2328 616.6342       397.2729 301.8033       139.0378 116.8437 43.44028 93.19337 24.94597 23.65034       50.09351 
1 1 1 23  32 2  o 209.7684 12.09282 1338.268       148.1404 993.0042       419.3648 1387.495       158.3493 147.7118 44.64247 213.1987 12.72216 -65.48683      46.41986 
1 1 1 23  32 3  o 142.9624 15.66702 639.8705       129.2097 1055.424       422.7502 597.0511       135.7035 152.9241 44.47769 137.1459 17.25254 15.77818       47.70655 
1 1 1 23  32 4  o 74.41056 23.79840 185.8843       117.3383 -185.7635      414.3094 218.2938       122.3476 73.90679 35.12769 79.89458 24.10570 -5.987785      42.60328 
1 1 1 23  32 5  o 57.57241 23.03402 73.79146       117.8286 -374.5964      407.6106 114.6762       123.0833 67.51064 32.77819 63.65255 24.07137 3.858086       40.66744 
1 1 1 23  32 6  o 139.0959 15.57172 605.9882       124.8510 617.2590       417.9981 604.8842       130.8230 115.6428 44.21083 138.4825 16.42754 -22.83968      47.16419 
1 1 1 23  32 7  o 53.15886 22.36162 36.76886       118.4237 204.3530       433.0388 23.22276       123.1169 90.57670 40.34622 52.46179 22.46109 38.11491       46.17703 
1 1 1 23  32 8  o 48.47729 21.19259 0.1550037      114.2767 439.8934       447.1736 -30.56978      118.2016 103.0359 43.40432 46.33673 20.82641 56.69920       48.14223 
1 1 1 23  32 9  o 91.54401 22.53403 285.8880       120.1548 51.94653       449.5807 303.8833       124.6905 84.19035 38.88720 94.29116 22.80086 -10.10081      45.07874 
1 1 1 23  32 10 o 74.39393 24.93698 186.7530       128.1696 -474.1198      430.6255 250.9882       134.2540 66.28376 32.50604 84.66580 25.18372 -18.38204      41.12009 
1 1 1 23  32 11 o 84.82640 25.16999 252.7780       134.2379 451.6449       413.1134 229.3013       141.9405 102.4964 42.33014 80.91864 26.20219 21.57771       49.78349 
1 1 1 23  32 12 o 94.30127 23.65988 309.0215       130.6190 496.7329       375.7206 283.2158       139.3084 105.4412 41.46709 89.37581 25.38988 16.06535       48.62268 
1 1 1 23  32 13 o 71.74586 23.99794 173.5587       118.7060 -212.2861      333.3668 229.5857       127.0324 64.86549 31.01833 80.96538 24.59140 -16.09988      39.58376 
1 1 1 23  32 14 o 57.14289 22.70660 78.59440       113.7307 0.000000       0.000000 78.59440       113.7307 ?        ?        57.14289 22.70660 0.000000       22.70660 
1 1 1 23  32 15 o 110.0259 16.24845 387.2610       101.6969 532.0225       349.7790 373.8939       106.2885 107.4436 40.59059 107.4042 17.47398 0.3940582E-01  44.19204 
1 1 1 23  32 16 o 86.51633 18.93387 249.1823       93.39592 350.4159       362.2548 241.9741       96.66380 93.50569 39.20791 84.79984 19.79796 8.705849       43.92288 
1 1 1 23  32 17 o 111.3206 13.69079 387.6046       87.50251 265.1844       380.4287 394.4431       89.91325 88.48502 38.67519 112.1701 13.96961 -23.68510      41.12080 
1 1 1 23  32 18 o 48.90307 21.57593 -1.926204      120.9488 78.60437       368.2852 -11.66172      128.0511 78.20045 35.77949 49.24718 21.93792 28.95326       41.96956 
1 1 1 23  32 19 o 68.90297 32.92561 -157.4400      374.1975 -157.4400      374.1975 0.000000       0.000000 68.90297 32.92561 ?        ?        0.000000       32.92561 
1 1 1 23  32 20 o 70.58771 33.73891 -142.4457      393.4242 -142.4457      393.4242 0.000000       0.000000 70.58771 33.73891 ?        ?        0.000000       33.73891 
1 1 1 23  32 21 o 84.83402 39.11787 171.1781       452.1497 171.1781       452.1497 0.000000       0.000000 84.83402 39.11787 ?        ?        0.000000       39.11787 
1 1 1 23  32 22 o 73.37670 35.46672 -179.4126      463.6819 -179.4126      463.6819 0.000000       0.000000 73.37670 35.46672 ?        ?        0.000000       35.46672 
1 1 1 23  33 0  o 40.66905 19.44638 -146.0828      130.9794 83.37584       421.5602 -170.6005      137.7994 83.78705 38.31457 40.69250 19.58494 43.09455       43.02995 
1 1 1 23  33 1  o 121.7403 19.81785 485.6029       136.6326 525.1000       438.5540 481.3570       143.7891 107.4912 43.91764 120.3581 21.14147 -12.86693      48.74137 
1 1 1 23  33 2  o 49.93808 25.01690 -687.0262      312.3746 -512.4633      431.4790 -879.2859      452.8222 65.41714 32.17254 59.79424 29.97816 5.622906       43.97457 
1 1 1 23  33 3  o 43.79139 20.49788 -97.16978      131.5592 -204.9006      432.8170 -86.20309      138.0932 73.84418 35.32045 45.78805 21.28833 28.05613       41.23987 
1 1 1 23  33 4  o 56.12677 23.49663 49.65337       129.7809 392.2307       416.2329 12.76200       136.5902 99.08258 41.81475 53.43365 23.26759 45.64893       47.85242 
1 1 1 23  33 5  o 99.28963 23.62594 340.6429       135.5728 264.2560       370.5829 352.4460       145.6709 90.38557 38.83797 100.2536 24.89066 -9.868004      46.12952 
1 1 1 23  33 6  o 174.2377 13.58069 936.9789       137.6807 697.9331       397.9878 969.4760       146.7411 120.8907 43.71661 176.7938 14.27379 -55.90308      45.98786 
1 1 1 23  33 7  f 58.43968 23.53913 77.24054       123.9295 -134.1224      403.7973 99.21996       130.2138 73.74082 34.94115 61.90498 24.39153 11.83584       42.61256 
1 1 1 23  33 8  o 87.47098 23.88775 267.1766       125.9731 -442.4554      418.3888 337.9224       132.1033 65.54221 32.12143 98.94226 23.17491 -33.40005      39.60888 
1 1 1 23  33 9  o 63.27891 24.92482 106.8841       135.9311 438.4261       426.1291 69.32639       143.4239 100.5505 42.36474 59.80756 24.84261 40.74291       49.11137 
1 1 1 23  33 10 o 61.73614 24.36659 99.80796       130.1464 -467.9837      405.7313 164.9307       137.4074 63.58534 31.25702 70.96113 25.68360 -7.375786      40.45551 
1 1 1 23  33 11 o 72.63412 25.89221 176.8560       139.0526 385.3281       374.6001 143.5396       149.7521 96.50491 40.12250 68.77774 26.41988 27.72717       48.03983 
1 1 1 23  33 12 o 58.49669 24.37815 64.72579       138.7652 -480.5777      373.4812 152.0587       149.4647 60.18549 29.66395 69.68204 26.48568 -9.496548      39.76734 
1 1 1 23  33 13 o 55.41276 22.99024 56.85073       122.6305 -214.5626      373.7318 89.59843       129.8180 67.56190 32.44895 60.18053 24.14338 7.381371       40.44549 
1 1 1 23  33 14 o 73.07594 23.73686 184.2252       116.4345 529.1332       371.2886 146.6066       122.6199 105.5736 41.31030 67.25374 24.27301 38.31985       47.91367 
1 1 1 23  33 15 o 49.60069 20.74113 36.54049       100.9543 68.08296       349.1045 33.66201       105.4602 76.69843 34.99437 50.01176 21.07367 26.68668       40.84980 
1 1 1 23  33 16 o 45.47985 19.08046 26.28863       85.86269 308.2344       362.2308 9.503759       88.38155 89.83212 38.49532 43.85884 18.90756 45.97328       42.88806 
1 1 1 23  33 17 o 84.92145 38.01129 215.0698       389.3138 215.0698       389.3138 0.000000       0.000000 84.92145 38.01129 ?        ?        0.000000       38.01129 
1 1 1 23  33 18 o 97.24245 41.43779 443.8879       415.5053 443.8879       415.5053 0.000000       0.000000 97.24245 41.43779 ?        ?        0.000000       41.43779 
1 1 1 23  33 19 o 83.51672 38.54566 153.8791       440.4604 153.8791       440.4604 0.000000       0.000000 83.51672 38.54566 ?        ?        0.000000       38.54566 
1 1 1 23  33 20 o 73.94549 35.52212 -128.5568      448.3942 -128.5568      448.3942 0.000000       0.000000 73.94549 35.52212 ?        ?        0.000000       35.52212 
1 1 1 23  34 0  o 81.99501 25.78775 238.6376       138.2760 964.9488       460.0172 166.4944       144.9808 135.2133 47.18977 71.52203 26.30494 63.69132       54.02614 
1 1 1 23  34 1  o 121.7642 20.34012 492.1188       140.1325 0.3127437      435.9135 548.8007       147.9876 79.86739 37.36086 128.7575 20.26672 -48.89008      42.50380 
1 1 1 23  34 2  o 115.5109 21.88481 451.7182       142.8318 575.7060       405.1183 434.1183       152.6329 109.3067 43.03701 111.6866 24.01632 -2.379929      49.28456 
1 1 1 23  34 3  o 53.42292 23.29218 14.88364       137.2449 -310.2081      385.0769 62.18819       146.8913 66.01697 32.00757 59.37841 24.93685 6.638554       40.57500 
1 1 1 23  34 4  o 158.2699 16.03773 792.5541       146.8120 759.0488       418.8823 797.2463       156.7553 122.1987 44.75057 157.8908 17.20642 -35.69212      47.94449 
1 1 1 23  34 5  o 107.9449 22.64310 399.9817       138.7641 767.6299       432.2126 357.7308       146.5208 121.6614 45.29509 100.3734 24.98795 21.28800       51.73048 
1 1 1 23  34 6  o 110.1551 22.22426 414.3687       138.6184 317.7467       396.3529 427.8340       147.9624 92.34850 39.92669 111.1121 23.44417 -18.76360      46.30086 
1 1 1 23  34 7  o 51.25044 22.60880 0.6384214E-01  132.7673 -93.69588      379.5045 13.13949       141.7230 72.43456 34.18761 53.84141 23.56765 18.59315       41.52381 
1 1 1 23  34 8  o 104.9603 23.65208 384.7433       142.0950 535.4932       382.8889 360.6652       153.0227 106.1156 41.82149 99.97758 25.89363 6.138062       49.18858 
1 1 1 23  34 9  o 93.51799 25.78480 316.5459       145.9759 116.5115       383.0157 350.5395       157.8929 80.98057 36.83433 97.80170 26.75750 -16.82113      45.52726 
1 1 1 23  34 10 o 43.20769 20.52240 -129.0103      140.9294 111.1932       389.8010 -165.1291      151.1541 80.84927 36.92247 43.10409 20.68498 37.74519       42.32183 
1 1 1 23  34 11 o 64.33624 25.66207 112.3806       145.8023 -253.0114      380.9668 175.0846       157.8177 66.66529 32.20446 72.68506 27.30721 -6.019768      42.22335 
1 1 1 23  34 12 o 73.39315 25.10943 186.5752       129.9873 792.8389       374.3298 103.4446       138.6129 126.8471 42.61762 62.57728 25.00104 64.26987       49.40965 
1 1 1 23  34 13 o 78.02853 24.90227 216.3873       128.5290 156.9639       392.8668 223.5099       136.0138 82.65622 37.48145 79.00362 25.65457 3.652603       45.42044 
1 1 1 23  34 14 o 54.89567 22.98026 52.93863       124.1312 385.9435       369.9008 10.67865       131.7724 94.22170 39.57094 51.72436 22.68080 42.49734       45.61007 
1 1 1 23  34 15 f 139.0446 11.42807 593.3947       92.37000 557.2844       382.8387 595.6267       95.18202 105.1734 41.70269 139.1176 11.77654 -33.94422      43.33360 
1 1 1 23  34 16 o 69.18334 24.52470 162.1757       124.5929 1045.528       418.1125 76.09242       130.5226 141.7548 44.87638 58.20044 23.88947 83.55432       50.83893 
1 1 1 23  34 17 o 78.60162 36.77193 51.66355       422.4312 51.66355       422.4312 0.000000       0.000000 78.60162 36.77193 ?        ?        0.000000       36.77193 
1 1 1 23  34 18 o 93.40485 41.85817 385.4359       473.6199 385.4359       473.6199 0.000000       0.000000 93.40485 41.85817 ?        ?        0.000000       41.85817 
1 1 1 23  34 19 o 58.99345 29.77902 -956.1330      488.8773 -956.1330      488.8773 0.000000       0.000000 58.99345 29.77902 ?        ?        0.000000       29.77902 
1 1 1 23  35 0  o 150.3959 18.04367 733.7016       155.9779 677.9536       416.6614 742.7874       168.2090 114.0169 43.99829 150.1115 19.57232 -36.09454      48.15522 
1 1 1 23  35 1  o 105.2477 25.24407 397.1346       153.8126 393.3256       389.5767 397.8380       167.4135 95.59212 40.40333 103.8306 27.17983 -8.238518      48.69469 
1 1 1 23  35 2  o 39.83176 19.65848 -300.5487      165.9205 -304.1850      396.3768 -299.7762      182.6968 66.32832 32.23162 42.63070 20.95987 23.69762       38.44729 
1 1 1 23  35 3  o 44.72118 21.22933 -131.9129      150.3887 -422.6042      406.4274 -85.79755      161.8787 63.94453 31.40358 49.39894 22.99477 14.54559       38.92229 
1 1 1 23  35 4  o 53.87315 23.68643 11.47788       144.5938 127.0321       423.2506 -3.790260      153.8501 82.71279 38.03350 53.94971 24.03876 28.76308       44.99343 
1 1 1 23  35 5  o 118.5285 22.23994 481.8223       148.9220 291.3109       399.8965 512.4969       160.4639 89.56105 39.38376 121.4268 23.38092 -31.86570      45.80118 
1 1 1 23  35 6  o 71.98327 26.55053 173.9793       147.8773 -446.7920      412.6517 265.4454       158.3974 63.71237 31.35933 84.68778 27.69781 -20.97541      41.83989 
1 1 1 23  35 7  o 73.35322 26.19946 185.3775       142.4409 142.9436       401.1227 191.5005       152.3715 82.30943 37.53778 74.43690 27.03119 7.872520       46.25765 
1 1 1 23  35 8  o 156.4003 16.55059 782.6075       149.5098 368.5707       370.5908 863.0971       163.3973 93.46615 39.45063 163.7117 17.27858 -70.24551      43.06857 
1 1 1 23  35 9  o 104.1004 23.04663 378.6817       136.9858 685.3950       361.7086 327.3244       148.0109 117.7010 41.78035 94.64129 25.91222 23.05969       49.16341 
1 1 1 23  35 10 o 61.51611 24.84820 96.11146       138.5252 437.7074       363.5749 38.10163       149.8264 97.71931 39.96370 56.84546 24.56245 40.87384       46.90854 
1 1 1 23  35 11 o 164.4882 16.01165 862.4567       152.5093 1282.329       398.9603 790.6014       165.0441 168.0266 40.88086 155.4426 18.46456 12.58406       44.85738 
1 1 1 23  35 12 o 59.18153 24.44816 77.62506       137.8550 216.1277       407.6416 59.73998       146.4856 84.87558 38.36404 58.31915 24.71807 26.55643       45.63752 
1 1 1 23  35 13 o 45.88709 21.09543 -53.94186      130.1095 195.8325       424.2890 -79.86765      136.6953 84.28245 38.50211 45.23548 21.08146 39.04697       43.89579 
1 1 1 23  35 14 o 132.3624 14.54958 553.5647       111.0844 566.2959       402.8748 552.5172       115.5643 104.2296 42.27622 131.7934 15.23127 -27.56376      44.93629 
1 1 1 23  35 15 o 48.17649 21.57243 -15.25488      125.5241 511.7075       453.2805 -59.02229      130.6329 99.57030 42.87099 45.58348 21.02160 53.98681       47.74756 
1 1 1 23  35 16 o 67.80751 33.35614 -385.0286      464.7188 -385.0286      464.7188 0.000000       0.000000 67.80751 33.35614 ?        ?        0.000000       33.35614 
1 1 1 23  36 0  o 85.29880 27.12239 270.9296       152.5820 359.3768       364.8593 252.1828       167.9757 91.98193 38.99911 82.19941 28.52614 9.782516       48.31844 
1 1 1 23  36 1  o 41.76130 20.18604 -184.8259      150.2348 126.9541       380.4392 -242.4293      163.5253 79.97567 36.50552 41.51316 20.28929 38.46251       41.76492 
1 1 1 23  36 2  o 116.7786 44.85149 756.8143       431.5358 756.8143       431.5358 0.000000       0.000000 116.7786 44.85149 ?        ?        0.000000       44.85149 
1 1 1 23  36 3  o 52.35088 23.69819 -26.05960      156.2380 44.30296       431.7598 -36.66150      167.5958 78.97778 37.02124 53.25290 24.27773 25.72487       44.27167 
1 1 1 23  36 4  o 59.34438 25.30440 59.06319       155.1180 90.73862       407.9572 53.70972       167.7147 79.68362 36.88917 60.30412 26.02185 19.37951       45.14363 
1 1 1 23  36 5  o 79.01028 28.55793 227.5284       169.8102 -140.7097      424.8741 297.5321       185.2492 72.34740 34.70823 87.73267 29.97641 -15.38527      45.86116 
1 1 1 23  36 6  o 49.80309 23.03741 -67.07162      158.6276 -232.6178      389.1960 -34.09273      173.7108 67.06510 32.43479 54.22327 24.71879 12.84184       40.78031 
1 1 1 23  36 7  o 140.9200 20.23438 665.7067       162.4393 214.5826       403.5452 752.9368       177.4505 84.51292 38.18824 149.4581 20.80795 -64.94519      43.48922 
1 1 1 23  36 8  o 34.55425 17.02666 -225.5191      122.7864 -518.3914      388.4242 -193.0038      129.4230 59.43523 29.46707 37.37353 18.21881 22.06170       34.64438 
1 1 1 23  36 9  o 55.00085 22.55007 65.26387       116.1260 589.1298       369.1939 7.744567       122.3352 107.1136 41.39442 49.69256 21.81975 57.42104       46.79316 
1 1 1 23  36 10 o 95.60436 26.33753 340.3045       152.3746 997.2416       396.5961 226.5375       165.0421 139.3768 43.65030 78.50797 28.18264 60.86880       51.95777 
1 1 1 23  36 11 o 101.3716 25.43349 376.3537       150.9375 417.2332       369.7817 368.1811       165.3382 94.73444 39.66069 98.49529 27.54964 -3.760857      48.29030 
1 1 1 23  36 12 o 120.1631 22.69205 503.1533       154.0573 462.6279       400.8079 510.1783       166.8767 97.18411 41.02409 119.3241 24.66177 -22.13995      47.86626 
1 1 1 23  36 13 o 188.2554 13.69305 1107.715       150.1478 1669.161       432.8543 1030.919       160.0876 194.1686 39.36037 180.2253 15.28994 13.94330       42.22584 
1 1 1 23  36 14 o 66.72873 24.00568 149.7117       119.8185 68.80579       457.0257 155.6830       124.1615 79.51367 37.52529 67.77971 24.43006 11.73396       44.77695 
1 1 1 23  37 0  o 121.4083 23.20964 518.9728       159.2382 702.7665       317.3132 457.1068       184.0979 121.1387 39.17273 108.9172 28.49750 12.22148       48.44183 
1 1 1 23  37 1  o 59.83635 25.82024 56.87586       165.1290 298.8786       370.4544 -3.130466      184.4689 87.05654 38.10512 57.39406 25.88739 29.66248       46.06687 
1 1 1 23  37 2  o 83.83887 37.46423 236.0349       376.5087 236.0349       376.5087 0.000000       0.000000 83.83887 37.46423 ?        ?        0.000000       37.46423 
1 1 1 23  37 3  o 59.22773 25.27252 62.64648       154.9214 -3.675837      380.5392 75.82242       169.6135 73.42875 34.52605 61.98595 26.44644 11.44279       43.49094 
1 1 1 23  37 4  o 54.42364 24.55545 -12.06845      166.1285 -143.0574      404.2266 14.55238       182.2294 70.05913 33.67384 58.38958 26.07986 11.66955       42.59209 
1 1 1 23  37 5  o 67.19697 27.88868 121.7215       180.5388 -450.3167      402.8926 265.4463       201.9494 61.75866 30.50870 82.81094 30.93576 -21.05228      43.44884 
1 1 1 23  37 6  o 73.40926 27.91801 187.3856       166.1253 -352.3627      402.8620 297.9703       182.3510 64.12335 31.44536 87.13660 29.74175 -23.01325      43.28259 
1 1 1 23  37 7  o 87.68212 26.70508 289.5121       149.6689 120.1440       380.9873 320.4200       162.7535 78.53123 36.10118 91.36841 27.85197 -12.83718      45.59636 
1 1 1 23  37 8  o 54.45065 22.55394 59.89732       117.7500 221.9766       389.9545 43.63647       123.5156 83.56458 37.66982 53.40750 22.66945 30.15708       43.96498 
1 1 1 23  37 9  o 98.51576 24.60202 352.8249       141.7073 914.1700       360.8408 250.4655       154.0865 136.1432 41.46554 81.65969 27.34179 54.48347       49.66854 
1 1 1 23  37 10 o 66.65099 26.58723 133.8070       156.5157 258.9626       373.0155 107.0636       172.4290 84.75076 37.61618 65.07977 27.15228 19.67099       46.39206 
1 1 1 23  37 11 o 60.96243 25.03417 93.06234       143.4113 372.4907       383.9493 47.75740       154.6007 90.73874 39.26387 57.66812 24.93439 33.07062       46.51210 
1 1 1 23  38 0  o 91.15455 28.48280 325.3495       168.9644 457.8543       335.9270 280.4744       195.4932 96.74919 38.82956 84.07767 30.60550 12.67152       49.44118 
1 1 1 23  38 1  o 66.30061 26.42837 133.6096       154.5401 -87.21425      381.1946 177.0421       169.0561 69.95905 33.37563 71.96767 27.95652 -2.008614      43.53733 
1 1 1 23  38 2  o 84.62597 37.59843 265.6145       373.6002 265.6145       373.6002 0.000000       0.000000 84.62597 37.59843 ?        ?        0.000000       37.59843 
1 1 1 23  38 3  o 42.96906 20.79014 -189.7154      160.3378 -30.57401      365.9443 -227.5248      178.3705 71.10843 33.56461 44.21641 21.51727 26.89202       39.86948 
1 1 1 23  38 4  o 55.79566 25.03527 2.216655       170.0022 -285.6364      361.8720 83.73670       192.5758 62.44477 30.44578 64.54523 27.86807 -2.100452      41.27438 
1 1 1 23  38 5  f 147.8354 20.15282 738.0690       170.1843 966.8004       354.8413 669.7379       193.9459 141.0778 40.66513 135.8810 25.26698 5.196732       47.87560 
1 1 1 23  38 6  o 74.55019 27.14081 201.8924       153.7439 -167.5826      378.3090 274.9867       168.2658 67.01845 32.30461 84.11282 28.57250 -17.09437      43.12744 
1 1 1 23  38 7  o 46.42191 21.78923 -92.30476      150.4093 -501.5211      411.7271 -29.28283      161.5767 60.71657 30.14297 52.27411 23.83392 8.442459       38.42726 
1 1 1 24  0  0  o 61.76264 40.14016 -6.115378      348.7033 -6.115378      348.7033 -6.115378      348.7033 61.76264 40.14016 61.76264 40.14016 0.000000       0.000000 
1 1 1 24  0  1  o 54.25014 36.74477 -157.0531      346.9929 -157.0531      346.9929 -157.0531      346.9929 54.25014 36.74477 54.25014 36.74477 0.000000       0.000000 
1 1 1 24  0  2  o 96.32998 48.70050 421.0618       341.4751 421.0618       341.4751 421.0618       341.4751 96.32998 48.70050 96.32998 48.70050 0.000000       0.000000 
1 1 1 24  0  3  o 57.96458 38.28783 -57.80870      336.9754 -57.80870      336.9754 -57.80870      336.9754 57.96458 38.28783 57.96458 38.28783 0.000000       0.000000 
1 1 1 24  0  4  o 487.0750 21.70870 7069.792       617.3145 7069.792       617.3145 7069.792       617.3145 487.0750 21.70870 487.0750 21.70870 0.000000       0.000000 
1 1 1 24  0  5  o 46.68031 32.67405 -324.9151      333.9487 -324.9151      333.9487 -324.9151      333.9487 46.68031 32.67405 46.68031 32.67405 0.000000       0.000000 
1 1 1 24  0  6  o 76.13979 45.65022 196.7973       364.9332 196.7973       364.9332 196.7973       364.9332 76.13979 45.65022 76.13979 45.65022 0.000000       0.000000 
1 1 1 24  0  7  o 57.36024 39.07327 -208.4917      403.9988 -208.4917      403.9988 -208.4917      403.9988 57.36024 39.07327 57.36024 39.07327 0.000000       0.000000 
1 1 1 24  0  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  9  o 287.8180 29.51542 2548.939       485.1924 2548.939       485.1924 2548.939       485.1924 287.8180 29.51542 287.8180 29.51542 0.000000       0.000000 
1 1 1 24  0  10 o 414.8931 24.45287 5164.757       590.2247 5164.757       590.2247 5164.757       590.2247 414.8931 24.45287 414.8931 24.45287 0.000000       0.000000 
1 1 1 24  0  11 o 59.97539 41.02798 -258.7580      455.7211 -258.7580      455.7211 -258.7580      455.7211 59.97539 41.02798 59.97539 41.02798 0.000000       0.000000 
1 1 1 24  0  12 o 206.1512 52.54948 1519.247       549.2159 1519.247       549.2159 1519.247       549.2159 206.1512 52.54948 206.1512 52.54948 0.000000       0.000000 
1 1 1 24  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  0  16 o 110.7805 57.92755 569.8663       493.6673 569.8663       493.6673 569.8663       493.6673 110.7805 57.92755 110.7805 57.92755 0.000000       0.000000 
1 1 1 24  0  17 o 384.8150 24.17673 4454.596       540.6365 4454.596       540.6365 4454.596       540.6365 384.8150 24.17673 384.8150 24.17673 0.000000       0.000000 
1 1 1 24  0  18 o 51.26585 35.99418 -417.5602      414.5472 -417.5602      414.5472 -417.5602      414.5472 51.26585 35.99418 51.26585 35.99418 0.000000       0.000000 
1 1 1 24  0  19 o 337.3322 21.34300 3418.398       418.3218 3418.398       418.3218 3418.398       418.3218 337.3322 21.34300 337.3322 21.34300 0.000000       0.000000 
1 1 1 24  0  20 o 80.79404 48.13215 243.7328       400.7502 243.7328       400.7502 243.7328       400.7502 80.79404 48.13215 80.79404 48.13215 0.000000       0.000000 
1 1 1 24  0  21 o 290.2383 23.07568 2557.604       386.9078 2557.604       386.9078 2557.604       386.9078 290.2383 23.07568 290.2383 23.07568 0.000000       0.000000 
1 1 1 24  0  22 o 165.5012 42.76694 984.4382       358.7137 984.4382       358.7137 984.4382       358.7137 165.5012 42.76694 165.5012 42.76694 0.000000       0.000000 
1 1 1 24  0  23 o 46.21080 32.67035 -412.1602      360.7123 -412.1602      360.7123 -412.1602      360.7123 46.21080 32.67035 46.21080 32.67035 0.000000       0.000000 
1 1 1 24  0  24 o 472.9316 19.00014 6681.707       525.0574 6681.707       525.0574 6681.707       525.0574 472.9316 19.00014 472.9316 19.00014 0.000000       0.000000 
1 1 1 24  0  25 o 54.76021 37.66952 -233.3763      396.5157 -233.3763      396.5157 -233.3763      396.5157 54.76021 37.66952 54.76021 37.66952 0.000000       0.000000 
1 1 1 24  0  26 o 47.72234 33.39504 -308.3269      348.2196 -308.3269      348.2196 -308.3269      348.2196 47.72234 33.39504 47.72234 33.39504 0.000000       0.000000 
1 1 1 24  0  27 o 47.30519 32.90218 -246.1246      324.0695 -246.1246      324.0695 -246.1246      324.0695 47.30519 32.90218 47.30519 32.90218 0.000000       0.000000 
1 1 1 24  0  28 o 46.88121 32.49213 -211.3195      308.8373 -211.3195      308.8373 -211.3195      308.8373 46.88121 32.49213 46.88121 32.49213 0.000000       0.000000 
1 1 1 24  0  29 o 61.39425 38.73045 98.32712       295.9198 98.32712       295.9198 98.32712       295.9198 61.39425 38.73045 61.39425 38.73045 0.000000       0.000000 
1 1 1 24  0  30 o 153.4777 37.83663 861.3986       294.8416 861.3986       294.8416 861.3986       294.8416 153.4777 37.83663 153.4777 37.83663 0.000000       0.000000 
1 1 1 24  0  31 o 91.83360 43.66393 413.2083       267.9881 413.2083       267.9881 413.2083       267.9881 91.83360 43.66393 91.83360 43.66393 0.000000       0.000000 
1 1 1 24  0  32 o 223.2705 22.06337 1565.419       281.9619 1565.419       281.9619 1565.419       281.9619 223.2705 22.06337 223.2705 22.06337 0.000000       0.000000 
1 1 1 24  0  33 o 275.9337 18.33525 2333.751       293.6658 2333.751       293.6658 2333.751       293.6658 275.9337 18.33525 275.9337 18.33525 0.000000       0.000000 
1 1 1 24  0  34 o 82.12022 42.27362 348.4252       260.0733 348.4252       260.0733 348.4252       260.0733 82.12022 42.27362 82.12022 42.27362 0.000000       0.000000 
1 1 1 24  0  35 o 50.47741 32.84018 30.24328       234.2602 30.24328       234.2602 30.24328       234.2602 50.47741 32.84018 50.47741 32.84018 0.000000       0.000000 
1 1 1 24  0  36 o 65.96666 38.91724 209.3409       257.3837 209.3409       257.3837 209.3409       257.3837 65.96666 38.91724 65.96666 38.91724 0.000000       0.000000 
1 1 1 24  0  37 o 150.8639 38.53936 875.4011       294.7478 875.4011       294.7478 875.4011       294.7478 150.8639 38.53936 150.8639 38.53936 0.000000       0.000000 
1 1 1 24  0  38 o 97.59438 44.44093 489.2595       275.7035 489.2595       275.7035 489.2595       275.7035 97.59438 44.44093 97.59438 44.44093 0.000000       0.000000 
1 1 1 24  0  39 o 83.53688 45.03361 396.0573       306.0757 396.0573       306.0757 396.0573       306.0757 83.53688 45.03361 83.53688 45.03361 0.000000       0.000000 
1 1 1 24  0  40 o 36.46065 26.17216 -363.2854      267.0905 -363.2854      267.0905 -363.2854      267.0905 36.46065 26.17216 36.46065 26.17216 0.000000       0.000000 
1 1 1 24  1  0  o 452.9536 15.10966 6083.012       400.8212 6271.014       565.2105 5892.816       568.4974 457.5331 21.12080 443.1211 21.94363 14.41202       30.45671 
1 1 1 24  1  1  o 177.3896 25.87065 967.6567       261.2248 758.0616       363.2430 1192.160       375.9393 152.7199 40.06425 194.2580 34.24918 -41.53802      52.70816 
1 1 1 24  1  2  o 59.07072 27.82442 -256.1026      249.1092 -154.7187      342.5814 -369.8578      362.8817 77.55234 35.10048 70.82976 33.43027 6.722580       48.47295 
1 1 1 24  1  3  o 263.7928 18.53398 2080.960       284.9112 2108.232       397.5042 2052.148       408.5742 263.0572 26.10987 259.0542 27.30252 4.002991       37.77768 
1 1 1 24  1  4  o 149.1582 30.99234 702.6759       262.2493 727.7543       362.4845 675.1328       379.8796 149.6161 40.38011 144.2997 42.21703 5.316422       58.41944 
1 1 1 24  1  5  o 308.4372 17.55522 2836.613       316.2471 3084.583       435.3613 2559.602       460.1493 319.6784 23.38301 289.4803 27.43102 30.19809       36.04478 
1 1 1 24  1  6  o 279.6313 18.76470 2338.680       305.9544 2273.837       417.2741 2414.073       449.9396 273.1299 26.37744 280.9756 27.66291 -7.845673      38.22311 
1 1 1 24  1  7  o 61.47676 29.13037 -313.5009      280.6783 -328.9877      382.9954 -295.5338      412.5258 74.96957 35.05345 79.92336 37.03325 -4.953781      50.99221 
1 1 1 24  1  8  o 234.8083 23.02625 1669.314       313.0206 1611.359       427.1284 1736.550       460.0596 226.9734 33.05787 235.2079 34.36561 -8.234543      47.68457 
1 1 1 24  1  9  o 248.9768 23.19713 1875.495       334.8247 1987.666       445.4815 1729.857       507.6046 253.6085 30.56696 232.9387 38.50017 20.66983       49.15895 
1 1 1 24  1  10 o 481.3799 16.98959 6888.685       478.8944 7453.253       686.3093 6352.944       668.5576 497.6478 23.58222 458.6596 24.94801 38.98813       34.32964 
1 1 1 24  1  11 o 290.3028 22.31176 2538.030       376.9586 2445.667       528.2995 2633.828       538.0337 280.7862 32.69219 291.8475 31.95607 -11.06134      45.71619 
1 1 1 24  1  12 o 85.99678 39.83548 -331.2124      476.7815 -331.2124      476.7815 0.000000       0.000000 85.99678 39.83548 ?        ?        0.000000       39.83548 
1 1 1 24  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  1  14 o 238.7095 35.14118 1790.693       477.2616 1790.693       477.2616 0.000000       0.000000 238.7095 35.14118 ?        ?        0.000000       35.14118 
1 1 1 24  1  15 o 47.98616 24.15396 -933.7717      309.1755 -785.7352      442.2866 -1075.239      432.3627 67.98647 33.25769 60.48703 30.16857 7.499447       44.90230 
1 1 1 24  1  16 o 277.7525 21.24058 2321.884       343.3741 3067.335       520.4579 1747.309       456.9295 316.4834 28.34005 235.8695 34.01302 80.61395       44.27238 
1 1 1 24  1  17 o 255.9301 21.90030 1979.121       325.5605 1881.808       470.4373 2068.560       451.0018 244.7183 33.66967 258.3011 30.34995 -13.58276      45.32953 
1 1 1 24  1  18 o 92.84304 37.28061 156.4153       309.8248 490.5242       419.3112 -245.3306      459.7992 127.4750 45.00933 86.82706 39.82058 40.64794       60.09591 
1 1 1 24  1  19 o 325.2747 16.07441 3154.760       305.6952 2291.794       425.0309 4079.556       439.9937 272.9279 26.90295 368.1716 20.45769 -95.24377      33.79772 
1 1 1 24  1  20 o 131.4451 33.00935 559.9205       254.0792 704.7609       351.2206 400.9001       368.0116 145.5978 39.93710 116.6680 42.05821 28.92980       57.99883 
1 1 1 24  1  21 o 80.20040 35.99262 -103.6223      351.5697 -103.6223      351.5697 0.000000       0.000000 80.20040 35.99262 ?        ?        0.000000       35.99262 
1 1 1 24  1  22 o 81.56211 32.65202 123.7483       236.9212 90.84160       323.4030 161.8661       348.0696 88.40552 37.05600 95.78208 39.12864 -7.376564      53.89061 
1 1 1 24  1  23 o 218.7934 19.79200 1453.575       251.2215 1301.731       353.5754 1608.383       357.0111 202.1515 30.79462 226.8456 27.38869 -24.69411      41.21224 
1 1 1 24  1  24 o 232.2922 21.06406 1648.827       283.8474 2068.949       441.2368 1352.219       370.7446 255.4295 30.02725 204.9368 31.88277 50.49274       43.79665 
1 1 1 24  1  25 o 213.7021 21.01112 1401.794       259.9337 837.2761       380.0604 1897.914       356.2930 155.1674 41.11207 246.8142 24.95677 -91.64682      48.09410 
1 1 1 24  1  26 f 48.49479 23.79855 -428.0352      232.0587 -622.6435      308.3401 -173.8065      352.4208 53.88242 26.63108 75.16510 34.61468 -21.28268      43.67368 
1 1 1 24  1  27 o 110.1039 32.93460 409.9237       229.1118 662.6011       306.9684 92.13644       344.2537 137.2876 37.20510 87.61031 37.53526 49.67726       52.84993 
1 1 1 24  1  28 o 76.72195 31.10495 120.4875       217.9778 38.82188       307.7202 202.7363       308.8170 79.92648 34.86184 91.39097 37.03374 -11.46449      50.86105 
1 1 1 24  1  29 o 69.17912 29.56136 44.82445       212.5116 -237.9463      307.5663 303.1442       293.9681 65.30019 30.80722 98.10607 37.17795 -32.80589      48.28338 
1 1 1 24  1  30 o 156.7432 23.72227 795.2989       211.2581 922.1180       305.4625 679.0243       292.4879 162.1816 33.23280 136.5919 36.00763 25.58969       48.99967 
1 1 1 24  1  31 o 47.89828 23.01236 -231.2880      188.3181 -197.9388      276.9456 -259.9695      256.8341 62.48716 29.40398 57.16763 27.30688 5.319523       40.12804 
1 1 1 24  1  32 o 237.2548 14.32414 1717.448       198.3840 1934.218       298.4230 1545.794       265.5586 246.6484 20.82458 220.3796 20.79229 26.26877       29.42758 
1 1 1 24  1  33 o 80.31105 28.98057 207.1841       174.7851 387.6241       256.1913 50.06422       239.0636 102.4521 35.24424 70.90678 30.83029 31.54533       46.82588 
1 1 1 24  1  34 o 54.81152 24.83408 -49.49001      172.0308 -317.1400      243.2585 218.2914       243.3182 52.20679 25.34175 84.46359 33.32317 -32.25681      41.86452 
1 1 1 24  1  35 o 75.70189 29.20401 171.1358       183.5279 42.97647       262.5374 293.6190       256.6579 71.81585 31.73199 91.30548 34.70656 -19.48963      47.02621 
1 1 1 24  1  36 o 101.9887 30.43079 385.0254       195.7883 704.8310       287.0526 106.8267       267.7293 133.4164 35.90176 75.94840 32.82545 57.46796       48.64614 
1 1 1 24  1  37 o 84.15517 29.77380 249.6614       183.5591 381.8850       264.7222 127.2135       254.7484 98.69647 35.65887 76.01308 32.42048 22.68339       48.19380 
1 1 1 24  1  38 o 78.79876 31.12163 197.3868       212.4357 181.9743       292.8801 214.4976       308.5944 81.70135 34.80176 84.68350 35.88380 -2.982155      49.98809 
1 1 1 24  1  39 o 58.95104 27.44979 -96.80684      230.9646 -123.9882      284.6793 -44.45655      395.0754 63.65894 29.91037 76.09411 35.58665 -12.43517      46.48698 
1 1 1 24  1  40 o 101.5925 33.75480 416.0027       234.9255 294.8006       322.3968 553.2169       343.0323 89.59028 37.23267 109.7289 40.44409 -20.13861      54.97269 
1 1 1 24  2  0  o 163.0365 26.46149 821.9000       244.3501 624.0776       325.4976 1077.327       369.8652 139.1352 38.55767 183.9370 35.57324 -44.80177      52.46094 
1 1 1 24  2  1  o 144.7041 30.23969 660.1969       248.3499 772.7195       334.6623 522.2802       370.5060 154.7787 37.30786 129.4890 42.36195 25.28969       56.44830 
1 1 1 24  2  2  o 289.6581 17.39613 2501.563       294.1595 2636.188       399.7923 2342.648       434.3634 295.4986 23.25629 277.0358 27.07958 18.46283       35.69536 
1 1 1 24  2  3  o 243.8598 19.64031 1784.245       278.5178 1986.902       377.9453 1543.392       412.0249 255.4903 25.56649 222.2783 32.57275 33.21201       41.40808 
1 1 1 24  2  4  o 227.6256 22.06858 1565.608       290.9170 1220.805       384.5394 2027.066       444.8582 196.4190 34.64752 256.2580 30.17809 -59.83900      45.94745 
1 1 1 24  2  5  o 205.1373 24.47231 1283.143       288.6223 1179.408       386.9311 1413.261       433.3486 192.6048 35.56419 210.9344 36.34147 -18.32964      50.84796 
1 1 1 24  2  6  o 289.1518 19.01262 2501.259       320.6285 2470.227       431.1001 2539.674       479.6499 284.8838 26.09182 287.7620 28.80798 -2.878143      38.86750 
1 1 1 24  2  7  o 207.4359 25.15681 1314.335       299.8010 1275.611       396.8999 1365.784       457.4922 200.7349 34.98483 206.0384 39.29399 -5.303513      52.61136 
1 1 1 24  2  8  o 187.1660 29.16351 1088.004       309.6953 840.0856       411.1498 1413.140       470.8450 159.9978 42.92859 209.4602 39.78320 -49.46239      58.52834 
1 1 1 24  2  9  o 222.7361 25.32885 1513.088       324.9993 1502.206       437.9233 1526.428       484.8944 218.0708 35.45829 218.1507 39.34740 -0.7997131E-01 52.96705 
1 1 1 24  2  10 o 542.9213 17.35139 8765.369       551.7770 8892.553       761.8461 8625.047       800.2291 543.4487 23.96223 534.2036 25.61678 9.245178       35.07717 
1 1 1 24  2  11 o 286.5880 30.81914 2531.623       509.8682 2531.623       509.8682 0.000000       0.000000 286.5880 30.81914 ?        ?        0.000000       30.81914 
1 1 1 24  2  12 f 139.9370 48.91314 595.6522       494.3408 595.6522       494.3408 0.000000       0.000000 139.9370 48.91314 ?        ?        0.000000       48.91314 
1 1 1 24  2  13 o 390.0569 29.23710 4646.376       663.9586 4646.376       663.9586 0.000000       0.000000 390.0569 29.23710 ?        ?        0.000000       29.23710 
1 1 1 24  2  14 o 96.98019 39.87161 130.5789       364.3366 130.5789       364.3366 0.000000       0.000000 96.98019 39.87161 ?        ?        0.000000       39.87161 
1 1 1 24  2  15 o 412.6263 15.37626 5051.909       371.4478 5419.279       563.0914 4768.895       494.2318 424.4938 22.70070 398.7757 21.20881 25.71811       31.06663 
1 1 1 24  2  16 o 64.33831 30.48462 -338.1352      307.3007 -192.2609      447.8617 -467.9131      422.4302 88.14075 39.98849 74.67902 35.48772 13.46172       53.46455 
1 1 1 24  2  17 o 250.5403 22.18280 1898.856       322.5804 2412.673       485.5475 1492.876       431.5984 279.2649 30.12185 216.8678 35.13506 62.39714       46.27956 
1 1 1 24  2  18 o 321.4520 17.69708 3088.272       332.3452 3501.630       476.9470 2698.128       463.3616 339.6898 24.09715 296.7110 26.92054 42.97876       36.13015 
1 1 1 24  2  19 o 84.21455 34.27501 110.4715       265.8726 -30.81994      357.4234 285.4991       397.8125 85.25724 37.37026 109.6850 42.80647 -24.42776      56.82368 
1 1 1 24  2  20 o 251.9122 18.87565 1911.179       276.8421 2092.693       369.0332 1677.544       418.6766 261.4526 24.34683 230.4139 31.83221 31.03876       40.07565 
1 1 1 24  2  21 o 228.3073 19.18777 1574.923       254.5431 1359.320       336.9928 1861.347       388.4156 208.3903 28.30454 244.7177 27.54092 -36.32744      39.49240 
1 1 1 24  2  22 o 169.7989 24.99035 897.3598       241.4255 769.5487       324.6657 1055.454       361.0851 152.3976 36.75434 179.6665 35.52753 -27.26897      51.11836 
1 1 1 24  2  23 o 157.9872 25.69119 783.1034       229.8727 565.5815       327.3886 994.6194       322.8373 130.3031 39.45776 175.3704 32.58823 -45.06738      51.17527 
1 1 1 24  2  24 o 150.4521 27.89441 722.7353       237.0698 631.1942       327.1046 824.0202       344.0733 136.5421 38.94459 156.2597 37.93187 -19.71759      54.36458 
1 1 1 24  2  25 o 69.14789 32.27097 -237.3943      322.1314 0.000000       0.000000 -237.3943      322.1314 ?        ?        69.14789 32.27097 0.000000       32.27097 
1 1 1 24  2  26 o 159.9483 26.08500 817.1100       236.2674 944.4169       312.7781 647.9377       360.5579 168.4955 32.83228 135.4294 41.48850 33.06609       52.90798 
1 1 1 24  2  27 o 59.80573 27.60367 -134.9634      225.9272 -90.54472      297.4920 -195.4910      347.2714 71.99760 32.63540 72.85311 33.83327 -0.8555069     47.00808 
1 1 1 24  2  28 o 126.5525 30.14694 542.9723       220.5442 498.3131       301.1646 594.6173       323.8642 118.2286 38.15708 127.7935 39.35234 -9.564888      54.81395 
1 1 1 24  2  29 o 58.30256 26.82481 -109.6608      210.9735 136.2659       302.9360 -341.2746      293.9885 85.24822 35.80685 59.55977 28.65047 25.68845       45.85826 
1 1 1 24  2  30 o 64.51702 28.30916 0.5955892      205.5953 -52.54806      302.4072 46.27106       280.3548 72.98122 33.01010 76.48816 33.32024 -3.506935      46.90314 
1 1 1 24  2  31 o 82.53521 30.71691 206.6900       198.7346 103.5129       294.4662 292.9981       269.3205 81.07903 34.72558 94.74035 35.65558 -13.66132      49.77134 
1 1 1 24  2  32 o 92.95712 29.83889 299.2093       184.3391 501.8231       267.6901 116.4723       254.2209 115.7079 35.80264 77.76632 32.74111 37.94163       48.51607 
1 1 1 24  2  33 o 215.0645 15.27876 1424.257       191.4565 1262.949       281.5213 1563.061       261.1462 194.7502 25.24124 221.3884 20.34022 -26.63818      32.41673 
1 1 1 24  2  34 o 68.80191 27.89667 108.9075       175.3502 135.7820       257.3236 85.60950       239.5901 78.41152 32.97226 73.09631 31.31527 5.315208       45.47325 
1 1 1 24  2  35 o 134.6817 22.92684 604.5801       174.6116 711.2449       274.4946 532.0821       226.3011 136.5806 34.31599 119.6987 31.72823 16.88190       46.73615 
1 1 1 24  2  36 o 69.24112 27.77403 123.6995       171.7695 153.7052       247.8422 95.96510       238.2774 77.91737 32.53392 72.71983 31.19312 5.197533       45.07180 
1 1 1 24  2  37 o 173.8548 19.83762 980.4480       198.6524 998.3970       282.0341 962.7755       279.8525 165.8741 30.09982 162.4130 30.50014 3.461136       42.85158 
1 1 1 24  2  38 o 45.25940 22.20096 -318.3514      201.2511 -328.8540      274.5403 -306.1526      295.8802 54.80898 26.67716 58.02719 28.11556 -3.218220      38.75765 
1 1 1 24  2  39 o 54.61015 26.30311 -245.3603      249.6510 -436.9292      305.5940 139.0207       432.8758 54.93735 27.02973 85.66104 39.03892 -30.72369      47.48309 
1 1 1 24  2  40 o 67.73473 31.14408 -27.52382      283.7357 166.4799       367.6024 -313.4420      446.2664 83.31293 37.13789 70.39780 34.20702 12.91514       50.49102 
1 1 1 24  3  0  o 172.9105 24.10203 914.9685       237.7804 1052.781       311.4784 722.4790       368.1185 183.7968 29.92467 149.0241 40.89038 34.77269       50.67059 
1 1 1 24  3  1  o 292.5298 16.11750 2545.490       275.4460 2504.396       365.2133 2599.702       419.4793 288.4819 21.74638 292.9016 24.64806 -4.419678      32.86993 
1 1 1 24  3  2  o 86.95248 32.96963 175.3931       231.2610 205.1152       306.1158 135.8758       352.9708 96.95991 37.63198 96.15087 39.35574 0.8090363      54.45218 
1 1 1 24  3  3  o 176.2990 25.44897 954.9569       255.5226 778.0021       339.7261 1185.468       387.7428 155.1638 37.70739 193.1382 35.54066 -37.97440      51.81685 
1 1 1 24  3  4  o 195.9470 23.34234 1168.147       262.9787 935.0236       345.9818 1487.112       404.6989 170.9880 35.65770 218.0270 32.65341 -47.03896      48.34994 
1 1 1 24  3  5  o 359.0404 16.21581 3831.925       340.5729 3785.234       466.9821 3884.977       497.7771 354.6101 22.57141 358.7591 23.79262 -4.149017      32.79569 
1 1 1 24  3  6  o 277.0212 18.66298 2294.981       301.4413 2150.826       383.0168 2529.580       488.6156 266.1490 24.82450 286.8981 29.45747 -20.74918      38.52271 
1 1 1 24  3  7  o 113.0896 36.65383 391.2342       277.7216 380.8061       346.2594 410.0415       465.0083 115.3280 40.88423 124.4423 46.84768 -9.114281      62.17897 
1 1 1 24  3  8  o 306.4318 29.63778 2883.630       525.9947 0.000000       0.000000 2883.630       525.9947 ?        ?        306.4318 29.63778 0.000000       29.63778 
1 1 1 24  3  9  o 388.6154 24.53605 4561.872       556.3557 4561.872       556.3557 0.000000       0.000000 388.6154 24.53605 ?        ?        0.000000       24.53605 
1 1 1 24  3  10 o 490.0517 17.73548 7147.333       508.8836 7148.231       698.8364 7146.320       742.4855 486.8196 24.55624 485.8518 26.15396 0.9677734      35.87531 
1 1 1 24  3  11 o 283.0797 33.24654 2489.634       541.4489 2489.634       541.4489 0.000000       0.000000 283.0797 33.24654 ?        ?        0.000000       33.24654 
1 1 1 24  3  12 o 153.2436 49.75931 758.9627       511.6888 758.9627       511.6888 0.000000       0.000000 153.2436 49.75931 ?        ?        0.000000       49.75931 
1 1 1 24  3  13 o 294.2844 32.81329 2683.999       556.7039 2683.999       556.7039 0.000000       0.000000 294.2844 32.81329 ?        ?        0.000000       32.81329 
1 1 1 24  3  14 o 126.2351 41.39265 493.0247       353.6549 493.0247       353.6549 0.000000       0.000000 126.2351 41.39265 ?        ?        0.000000       41.39265 
1 1 1 24  3  15 o 187.0278 25.90607 1074.544       276.5360 1237.288       370.6618 870.2453       415.2951 198.3522 33.02386 162.7197 42.91122 35.63252       54.14746 
1 1 1 24  3  16 o 100.1890 38.01202 243.4206       307.5229 -46.77330      457.8763 481.8953       415.0736 95.88209 42.15354 127.1721 44.79182 -31.29001      61.50795 
1 1 1 24  3  17 o 295.2014 19.03003 2611.622       327.7091 2812.131       496.0325 2456.320       436.5469 302.5486 28.28310 283.3704 26.57814 19.17813       38.81149 
1 1 1 24  3  18 o 440.2024 21.22716 5829.634       546.4028 5829.634       546.4028 0.000000       0.000000 440.2024 21.22716 ?        ?        0.000000       21.22716 
1 1 1 24  3  19 o 150.4393 30.89059 722.0970       263.4122 1064.457       366.8134 357.5666       378.5039 181.3848 35.75375 113.9229 42.39261 67.46188       55.45686 
1 1 1 24  3  20 o 243.0453 18.20708 1776.717       257.6381 1941.163       370.6383 1622.967       358.3812 251.1770 25.51421 228.7075 27.25422 22.46945       37.33320 
1 1 1 24  3  21 o 56.76817 27.06536 -299.4073      249.8492 -149.4574      338.5860 -478.6741      370.2079 76.25613 34.66455 67.09414 32.24277 9.161995       47.34161 
1 1 1 24  3  22 o 75.45938 31.10004 75.09850       222.3807 254.3904       305.3204 -127.4850      324.5470 99.47588 37.84416 75.43985 34.15227 24.03603       50.97606 
1 1 1 24  3  23 o 163.1640 24.84672 831.2693       230.2668 1069.126       324.8951 591.1995       326.4028 182.4362 31.50417 132.9169 39.19957 49.51936       50.29035 
1 1 1 24  3  24 o 186.6712 22.09879 1074.235       237.2469 1192.101       323.3116 936.7221       349.2197 193.3497 29.43999 167.4229 36.59010 25.92676       46.96327 
1 1 1 24  3  25 o 188.3555 20.84303 1091.507       226.3968 985.0836       318.6589 1199.977       321.7098 173.2384 32.55901 193.4659 29.26728 -20.22746      43.77971 
1 1 1 24  3  26 o 54.47659 25.86246 -237.6064      223.2874 -213.4644      301.6930 -266.8488      332.0352 67.01408 31.26032 68.60374 32.25526 -1.589668      44.91781 
1 1 1 24  3  27 f 85.74702 32.40340 202.7435       222.9447 283.3003       300.6926 104.3928       332.2465 98.39293 37.52649 87.15981 37.09485 11.23312       52.76614 
1 1 1 24  3  28 o 110.7212 31.42466 419.8571       213.5003 649.3503       298.8832 180.7456       305.0822 134.6466 36.80455 89.29284 36.57328 45.35374       51.88622 
1 1 1 24  3  29 o 55.09360 25.83558 -166.2363      210.6222 -287.7675      294.0969 -38.27139      301.7812 61.54248 29.34793 74.10689 33.29516 -12.56440      44.38321 
1 1 1 24  3  30 o 63.52361 28.12946 -16.20619      207.4043 -343.6523      290.7595 323.0052       295.9370 58.73937 28.31566 99.11075 37.35954 -40.37138      46.87762 
1 1 1 24  3  31 o 206.0055 18.00005 1320.132       215.2897 1386.038       315.5868 1262.761       294.4428 204.1791 27.01701 195.3144 26.37864 8.864746       37.75912 
1 1 1 24  3  32 o 121.7029 27.61948 510.0061       192.6042 489.7780       268.3327 531.5035       276.6234 114.1797 35.92519 118.5049 36.34679 -4.325134      51.10487 
1 1 1 24  3  33 o 105.6499 29.25672 395.8352       187.4790 183.6154       271.9373 588.0745       258.8194 83.69804 34.43254 125.4148 34.23605 -41.71677      48.55622 
1 1 1 24  3  34 o 66.57426 27.54305 86.85123       175.3207 146.4686       273.8013 45.42037       228.2501 80.38743 33.91894 68.96056 30.05259 11.42686       45.31725 
1 1 1 24  3  35 o 39.17275 19.36568 -322.8863      163.4078 -259.1408      237.2122 -380.4540      225.4251 53.26619 25.65166 47.21674 23.22797 6.049446       34.60558 
1 1 1 24  3  36 o 159.3563 19.95778 823.7326       182.4436 898.8544       267.4993 758.3952       249.4714 157.7312 30.01332 144.1320 30.46734 13.59926       42.76749 
1 1 1 24  3  37 o 45.17094 22.01457 -272.0762      188.6498 -371.5848      288.2118 -197.4850      249.5313 55.31976 27.01530 56.96162 27.12689 -1.641861      38.28439 
1 1 1 24  3  38 o 61.52053 27.11270 21.76316       190.4916 -54.01081      286.1263 82.08663       255.2941 67.25150 31.04885 72.29770 31.63920 -5.046204      44.32911 
1 1 1 24  3  39 o 54.55225 25.79073 -150.1586      217.6601 -365.6895      302.6004 80.90573       313.3149 56.68444 27.68168 76.31824 34.13458 -19.63380      43.94820 
1 1 1 24  4  0  o 249.2396 18.61892 1859.471       270.1920 1784.051       339.0001 1990.823       447.3791 242.4227 24.16539 253.6927 30.69211 -11.27000      39.06369 
1 1 1 24  4  1  o 208.3745 21.53081 1312.342       259.3358 1313.627       327.7237 1310.190       424.1694 206.4933 27.76437 202.6300 37.05836 3.863266       46.30531 
1 1 1 24  4  2  o 360.3777 15.40356 3855.397       324.8079 3993.207       427.3743 3666.944       499.7709 365.2505 20.02775 348.1466 24.63613 17.10397       31.74979 
1 1 1 24  4  3  o 58.80476 27.57238 -229.1072      239.7622 -10.62903      295.7156 -648.2884      409.6105 79.61098 34.45350 67.67795 32.85921 11.93303       47.61062 
1 1 1 24  4  4  o 210.5622 22.38754 1343.103       272.2302 987.1766       342.4807 1953.921       448.6548 176.2455 34.36852 251.0848 31.13444 -74.83928      46.37400 
1 1 1 24  4  5  o 210.3248 23.51126 1344.333       285.0569 1429.443       383.8212 1239.645       425.6836 214.1258 31.50485 196.4295 38.32784 17.69629       49.61430 
1 1 1 24  4  6  o 181.0568 27.73131 1014.435       285.1032 1109.425       351.3346 831.2614       487.8802 187.5738 33.14943 158.6815 48.19221 28.89223       58.49250 
1 1 1 24  4  7  o 294.1691 18.91992 2588.080       324.6818 2743.261       412.6426 2335.843       526.0876 301.3163 23.53739 273.7773 33.45946 27.53900       40.90897 
1 1 1 24  4  8  o 262.2746 20.95031 2068.451       319.5760 1974.642       402.3396 2228.801       526.0225 253.9830 27.44625 266.9692 34.39470 -12.98627      44.00332 
1 1 1 24  4  9  o 196.0292 28.71096 1189.128       320.2967 1202.308       410.6174 1168.646       511.8737 193.8252 37.47819 187.4233 46.73135 6.401901       59.90353 
1 1 1 24  4  10 o 373.3081 25.81595 4222.720       561.7239 4222.720       561.7239 0.000000       0.000000 373.3081 25.81595 ?        ?        0.000000       25.81595 
1 1 1 24  4  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  4  12 o 312.2423 31.22985 3003.360       564.2239 3003.360       564.2239 0.000000       0.000000 312.2423 31.22985 ?        ?        0.000000       31.22985 
1 1 1 24  4  13 o 260.7419 37.75817 2150.381       560.6080 2150.381       560.6080 0.000000       0.000000 260.7419 37.75817 ?        ?        0.000000       37.75817 
1 1 1 24  4  14 f 212.3875 42.97220 1470.455       516.8607 1470.455       516.8607 0.000000       0.000000 212.3875 42.97220 ?        ?        0.000000       42.97220 
1 1 1 24  4  15 o 320.6236 19.97473 3080.198       373.7355 3080.198       373.7355 0.000000       0.000000 320.6236 19.97473 ?        ?        0.000000       19.97473 
1 1 1 24  4  16 o 211.6394 31.10024 1398.739       374.5160 1398.739       374.5160 0.000000       0.000000 211.6394 31.10024 ?        ?        0.000000       31.10024 
1 1 1 24  4  17 o 168.0173 33.13718 899.6006       314.9210 1078.637       431.5856 695.7217       460.5558 180.9150 41.55288 145.9771 47.19241 34.93791       62.87897 
1 1 1 24  4  18 o 277.7791 19.51963 2319.451       315.9715 2158.384       409.4519 2556.583       496.8151 265.1039 26.69843 287.1272 29.94275 -22.02328      40.11700 
1 1 1 24  4  19 o 170.3033 29.01058 913.1956       279.3777 932.5192       379.5790 890.3531       412.6947 167.9688 39.24341 162.8026 42.70206 5.166260       57.99578 
1 1 1 24  4  20 o 251.0543 18.38799 1896.475       268.8622 2226.482       388.3178 1592.601       372.6246 269.4121 24.85657 225.7701 28.79651 43.64209       38.04061 
1 1 1 24  4  21 o 109.7810 34.47339 382.9325       247.2016 833.3398       353.1113 -49.97474      346.1834 158.1959 38.44231 82.34105 36.40774 75.85481       52.94652 
1 1 1 24  4  22 o 87.07861 32.58873 194.0964       224.3127 102.9321       317.6435 284.7831       316.8103 88.56586 36.89428 102.9054 38.68381 -14.33950      53.45675 
1 1 1 24  4  23 f 56.77297 26.54704 -190.5094      219.7267 -406.6338      307.0695 36.26801       314.5464 60.90684 29.29397 83.45433 35.81923 -22.54749      46.27260 
1 1 1 24  4  24 o 258.7429 16.88759 2016.252       254.8630 2397.883       371.1025 1675.568       350.6296 279.3147 22.85389 231.4350 26.29848 47.87971       34.84121 
1 1 1 24  4  25 o 43.15286 21.54671 -564.9114      223.1956 -453.2467      342.1654 -647.6151      294.4695 63.50839 30.64011 51.53794 25.56996 11.97045       39.90788 
1 1 1 24  4  26 o 68.44603 29.87610 -4.728512      226.3510 18.35514       326.9348 -25.98014      313.6931 82.02354 35.85199 77.98032 34.55952 4.043221       49.79684 
1 1 1 24  4  27 o 86.08068 31.57923 216.2245       208.7353 235.7628       297.9846 197.4008       292.4848 93.97624 36.93788 90.42479 36.25232 3.551453       51.75556 
1 1 1 24  4  28 o 191.6694 28.93599 1215.392       315.1465 0.000000       0.000000 1215.392       315.1465 ?        ?        191.6694 28.93599 0.000000       28.93599 
1 1 1 24  4  29 o 89.61306 31.33754 259.0848       202.9249 190.3169       266.1805 354.5150       313.5643 86.38132 34.59996 103.1152 38.54259 -16.73384      51.79468 
1 1 1 24  4  30 o 121.3692 28.14031 500.8786       196.3982 492.7052       254.6254 512.8832       308.5863 116.9511 34.65616 117.5117 38.67234 -0.5605774     51.92879 
1 1 1 24  4  31 o 70.61335 28.74049 104.2299       186.9507 392.4132       270.1450 -160.6339      258.9844 104.4865 36.18029 61.75944 28.85989 42.72704       46.28074 
1 1 1 24  4  32 o 76.67038 29.22491 170.6699       182.3034 378.2689       260.0103 -30.06586      255.6762 101.9137 35.48353 67.81427 30.54197 34.09946       46.81765 
1 1 1 24  4  33 o 74.79892 29.21473 154.6713       185.4143 75.64160       273.3323 222.0350       252.3532 75.89545 32.98301 85.72187 33.89976 -9.826424      47.29771 
1 1 1 24  4  34 o 69.75720 28.24542 114.9303       179.4814 -309.2964      274.0581 433.5241       237.4993 56.50312 27.30005 107.3020 33.80321 -50.79892      43.45055 
1 1 1 24  4  35 f 91.68435 28.76536 300.2581       172.1543 465.3126       257.2850 166.4525       231.6531 109.1579 35.27127 78.32196 31.94956 30.83592       47.59030 
1 1 1 24  4  36 o 54.96709 25.09714 -56.59890      179.9731 -260.3045      280.7740 85.46727       234.4773 58.41656 28.07442 71.49413 30.80875 -13.07757      41.68156 
1 1 1 24  4  37 o 105.1071 27.84311 399.5634       174.3420 252.4780       266.9143 509.0098       230.2437 86.50993 34.64893 114.9740 32.63428 -28.46404      47.59774 
1 1 1 24  4  38 o 102.4596 30.20597 396.0826       193.8403 409.2798       285.3748 384.7780       264.1204 99.94698 36.88006 97.99944 35.58871 1.947540       51.25130 
1 1 1 24  4  39 o 72.26624 29.53425 141.2813       198.4038 301.0979       290.0128 0.6787809      272.0212 90.10188 36.10702 68.56491 31.12993 21.53697       47.67378 
1 1 1 24  5  0  o 156.1427 26.06065 754.6436       230.2421 768.1934       274.7541 722.6887       421.9359 156.0128 31.12018 148.8201 44.73554 7.192719       54.49527 
1 1 1 24  5  1  o 284.7370 17.06247 2416.854       283.6217 2275.760       357.4397 2656.698       466.0275 274.6526 22.38452 294.9793 27.24601 -20.32669      35.26204 
1 1 1 24  5  2  o 268.2554 18.00668 2150.176       281.6501 2332.495       354.4092 1837.663       464.0047 278.2383 21.89519 242.3320 33.54707 35.90630       40.06002 
1 1 1 24  5  3  o 131.7004 31.63702 551.5061       241.2948 586.5792       291.8463 475.7365       428.9575 135.1232 36.12948 127.5217 45.47449 7.601509       58.07984 
1 1 1 24  5  4  o 242.4542 19.05198 1762.060       268.7323 1435.267       326.5935 2447.186       472.8856 216.4809 26.26028 282.3038 28.97272 -65.82291      39.10269 
1 1 1 24  5  5  o 113.9991 40.78749 366.9647       345.3799 366.9647       345.3799 0.000000       0.000000 113.9991 40.78749 ?        ?        0.000000       40.78749 
1 1 1 24  5  6  o 63.97796 29.94130 -255.4138      280.4860 -150.1837      345.9955 -457.1339      479.0439 78.16901 35.33739 81.65963 38.50157 -3.490616      52.25995 
1 1 1 24  5  7  o 139.8916 35.37971 628.1753       290.4102 664.2838       356.2743 556.6777       501.3323 143.1745 40.58025 136.9592 49.12438 6.215271       63.71782 
1 1 1 24  5  8  o 181.5969 29.45869 1026.413       303.0010 1081.741       383.9108 935.0171       493.4275 183.8094 36.89677 167.6452 47.83683 16.16420       60.41302 
1 1 1 24  5  9  o 358.0681 23.43283 3865.140       489.3820 3865.140       489.3820 0.000000       0.000000 358.0681 23.43283 ?        ?        0.000000       23.43283 
1 1 1 24  5  10 o 365.7805 24.63052 4042.942       525.2974 4042.942       525.2974 0.000000       0.000000 365.7805 24.63052 ?        ?        0.000000       24.63052 
1 1 1 24  5  11 o 561.9518 25.31416 9532.317       832.1407 9532.317       832.1407 0.000000       0.000000 561.9518 25.31416 ?        ?        0.000000       25.31416 
1 1 1 24  5  12 o 509.1677 25.53769 7831.856       760.1591 7831.856       760.1591 0.000000       0.000000 509.1677 25.53769 ?        ?        0.000000       25.53769 
1 1 1 24  5  13 o 391.6555 18.86930 4577.656       432.1465 4577.656       432.1465 0.000000       0.000000 391.6555 18.86930 ?        ?        0.000000       18.86930 
1 1 1 24  5  14 o 263.1791 24.83487 2103.377       378.7893 2103.377       378.7893 0.000000       0.000000 263.1791 24.83487 ?        ?        0.000000       24.83487 
1 1 1 24  5  15 o 379.7823 23.20177 4349.212       514.3147 4349.212       514.3147 0.000000       0.000000 379.7823 23.20177 ?        ?        0.000000       23.20177 
1 1 1 24  5  16 o 225.4617 22.18086 1539.965       289.4997 1513.062       358.4377 1590.445       490.9825 221.3038 28.26083 222.1463 39.11370 -0.8425446     48.25511 
1 1 1 24  5  17 o 175.4750 28.55158 961.5416       283.7375 1006.256       347.2320 871.6874       492.2257 177.2668 34.64211 160.9321 48.30512 16.33473       59.44292 
1 1 1 24  5  18 o 320.6276 16.47759 3067.038       308.8062 2727.640       406.2863 3531.344       475.2029 299.7445 23.29436 340.9662 23.91554 -41.22174      33.38533 
1 1 1 24  5  19 o 225.8438 19.91406 1541.970       261.0666 1416.834       352.4482 1694.095       388.6017 212.8975 28.97919 233.0426 29.06264 -20.14508      41.04181 
1 1 1 24  5  20 o 276.9627 15.74169 2291.603       254.6428 2270.306       376.0458 2309.638       346.0587 272.5022 23.76749 275.8565 21.56144 -3.354309      32.09034 
1 1 1 24  5  21 f 136.9311 29.53141 601.2935       230.1763 511.8530       339.5823 677.3129       313.0688 125.4069 40.52156 142.9377 37.04545 -17.53078      54.90321 
1 1 1 24  5  22 o 156.6523 26.74077 773.3344       236.8639 732.4928       335.3341 814.0021       334.6194 147.8960 38.34503 156.4920 37.03878 -8.596008      53.31240 
1 1 1 24  5  23 o 98.52017 32.71831 299.9526       220.7259 192.3514       322.4236 394.8585       302.8064 95.26486 38.10675 112.0857 38.32446 -16.82085      54.04524 
1 1 1 24  5  24 o 146.5450 27.96749 688.6635       231.6007 1065.628       339.2277 359.5441       316.9696 180.3795 33.29285 108.6318 39.04908 71.74771       51.31515 
1 1 1 24  5  25 o 163.3400 23.75991 837.0808       220.9400 804.2323       327.6345 864.4769       299.2094 153.6259 36.84039 161.6716 32.68180 -8.045685      49.24749 
1 1 1 24  5  26 o 69.62727 29.72486 33.49887       214.5065 -120.9054      302.5744 189.5129       304.1476 71.35241 32.56428 91.43163 36.85917 -20.07922      49.18364 
1 1 1 24  5  27 o 125.0443 29.44943 524.2497       212.3803 673.1435       305.8554 385.6118       295.1336 137.7547 37.05449 107.3240 37.77248 30.43071       52.91309 
1 1 1 24  5  28 o 52.77875 24.98322 -198.2486      205.4398 3.086870       282.4271 -424.4885      299.3856 74.71869 32.96778 57.58243 27.98859 17.13626       43.24623 
1 1 1 24  5  29 o 76.77818 33.62847 33.11414       288.9477 0.000000       0.000000 33.11414       288.9477 ?        ?        76.77818 33.62847 0.000000       33.62847 
1 1 1 24  5  30 o 164.9670 20.54801 861.4368       194.5029 806.3646       253.9624 939.5698       302.4967 154.0863 29.17103 163.9381 32.61023 -9.851852      43.75358 
1 1 1 24  5  31 o 77.35352 29.57938 169.3143       187.1373 227.5356       259.3793 106.1060       270.2600 87.87451 34.48544 78.84998 33.50336 9.024536       48.08035 
1 1 1 24  5  32 o 111.0465 28.08869 429.7595       183.0294 266.4537       255.1871 602.7696       262.6599 90.37999 34.54604 127.3420 34.37517 -36.96204      48.73481 
1 1 1 24  5  33 o 65.87090 28.02761 58.35051       189.5932 -24.00050      269.4517 139.0998       266.8184 69.27135 31.26201 79.76160 33.55959 -10.49025      45.86458 
1 1 1 24  5  34 o 83.26011 30.05756 231.8109       188.0420 214.6519       280.4226 245.8307       253.4773 85.85030 35.10212 87.22529 34.13220 -1.374992      48.96086 
1 1 1 24  5  35 o 67.17490 27.86795 92.76359       180.1653 16.92872       257.4005 165.6007       252.2617 69.45318 31.01031 79.51822 32.98109 -10.06504      45.27021 
1 1 1 24  5  36 o 91.56902 29.98402 306.2103       185.6002 277.4551       292.3847 325.6170       240.1993 89.69791 36.14674 93.29185 33.93011 -3.593941      49.57660 
1 1 1 24  5  37 o 68.99411 28.24182 115.8670       181.7775 -335.9521      265.0162 517.2999       249.8024 53.61284 26.12078 114.2136 34.44107 -60.60080      43.22594 
1 1 1 24  5  38 o 82.62275 29.53367 242.7048       181.0391 450.0355       271.1143 75.85823       243.2088 104.3862 36.23982 70.74310 30.92183 33.64313       47.63911 
1 1 1 24  5  39 o 73.17788 29.28785 156.6805       190.5645 228.1594       285.1096 98.96233       256.2002 84.17175 34.99985 73.21812 31.87472 10.95364       47.33906 
1 1 1 24  6  0  o 437.5839 15.92913 5687.196       408.1113 0.000000       0.000000 5687.196       408.1113 ?        ?        437.5839 15.92913 0.000000       15.92913 
1 1 1 24  6  1  o 247.4942 18.12552 1832.291       261.2667 1835.467       315.0368 1825.294       467.5725 246.5678 22.01726 241.2588 33.98636 5.309006       40.49485 
1 1 1 24  6  2  o 470.9666 15.45608 6581.548       426.3353 6580.354       555.7877 6583.256       664.5417 468.9583 20.25581 467.0004 24.34764 1.957886       31.67184 
1 1 1 24  6  3  o 291.5522 17.30076 2534.773       294.4929 2732.431       367.0773 2177.793       493.3132 301.6223 20.88009 264.6097 32.46791 37.01257       38.60238 
1 1 1 24  6  4  o 88.29880 33.20752 186.8181       233.5163 454.9933       277.3296 -466.5478      432.8776 120.1318 36.30292 76.04066 36.07371 44.09114       51.17826 
1 1 1 24  6  5  o 322.8999 16.43757 3102.259       310.2592 3199.370       390.8443 2936.804       510.1644 326.6297 20.50665 309.7438 28.39965 16.88583       35.02946 
1 1 1 24  6  6  o 108.0570 36.17013 348.4174       269.6587 484.3127       319.7692 13.85742       501.7316 124.2705 39.23327 103.3209 44.79569 20.94958       59.54749 
1 1 1 24  6  7  o 57.07230 27.57120 -421.9697      279.2884 -530.7523      348.6644 -227.1966      466.5437 63.35321 30.65405 88.84983 40.50624 -25.49662      50.79789 
1 1 1 24  6  8  o 418.9361 17.14409 5221.503       420.3337 5072.393       539.8098 5451.161       669.9254 410.7818 22.49259 423.5729 27.11026 -12.79108      35.22617 
1 1 1 24  6  9  o 205.9003 36.60458 1348.013       425.8232 1348.013       425.8232 0.000000       0.000000 205.9003 36.60458 ?        ?        0.000000       36.60458 
1 1 1 24  6  10 o 334.7756 26.55678 3405.610       517.1410 3405.610       517.1410 0.000000       0.000000 334.7756 26.55678 ?        ?        0.000000       26.55678 
1 1 1 24  6  11 o 342.1387 28.52912 3574.242       567.2495 3574.242       567.2495 0.000000       0.000000 342.1387 28.52912 ?        ?        0.000000       28.52912 
1 1 1 24  6  12 o 305.2885 32.69727 2886.504       576.3184 2886.504       576.3184 0.000000       0.000000 305.2885 32.69727 ?        ?        0.000000       32.69727 
1 1 1 24  6  13 o 181.2091 36.04727 1048.162       369.6070 1048.162       369.6070 0.000000       0.000000 181.2091 36.04727 ?        ?        0.000000       36.04727 
1 1 1 24  6  14 o 229.9899 27.95498 1626.460       369.3323 1626.460       369.3323 0.000000       0.000000 229.9899 27.95498 ?        ?        0.000000       27.95498 
1 1 1 24  6  15 o 355.4113 19.11410 3778.097       396.9491 3778.097       396.9491 0.000000       0.000000 355.4113 19.11410 ?        ?        0.000000       19.11410 
1 1 1 24  6  16 o 279.5814 17.35017 2334.998       283.0853 2343.214       348.9708 2319.188       484.0985 278.7124 21.51568 273.4032 30.72215 5.309235       37.50700 
1 1 1 24  6  17 o 93.05193 35.23856 209.9636       263.9914 390.3286       316.6600 -201.0583      478.0239 114.0255 39.18500 90.50951 41.16132 23.51595       56.83061 
1 1 1 24  6  18 o 211.8334 21.33420 1362.213       261.4397 1286.278       319.4308 1516.292       455.0173 203.5504 27.45765 216.7228 37.13449 -13.17242      46.18325 
1 1 1 24  6  19 o 386.4627 14.73515 4443.827       333.3621 4218.156       451.0088 4715.600       494.9379 373.9123 20.64686 394.9720 21.44699 -21.05966      29.77022 
1 1 1 24  6  20 o 354.5460 14.73823 3743.818       305.7880 3722.481       448.8123 3762.303       417.7550 350.2695 21.95849 353.0190 20.26289 -2.749512      29.87909 
1 1 1 24  6  21 f 116.3169 33.57626 438.6904       241.7473 840.8533       351.6756 78.40081       332.8642 158.8063 38.22272 88.54337 37.38157 70.26291       53.46362 
1 1 1 24  6  22 o 108.4499 33.38580 376.8446       233.1228 312.2102       341.1532 433.4641       319.3014 106.6650 40.13277 116.7807 39.36132 -10.11565      56.21346 
1 1 1 24  6  23 o 90.94332 32.76353 234.1091       223.2842 453.7902       338.9283 65.65369       296.7932 118.7717 40.54752 83.25507 35.23075 35.51663       53.71506 
1 1 1 24  6  24 o 320.7305 13.85300 3071.044       259.9617 3451.767       388.5001 2762.362       349.8178 337.0394 19.74083 301.3040 19.90798 35.73547       28.03619 
1 1 1 24  6  25 o 131.2421 29.38613 564.8964       220.5457 388.5001       312.7101 739.4740       311.0938 110.1549 38.87136 147.1736 36.27748 -37.01871      53.16990 
1 1 1 24  6  26 o 38.62010 19.46906 -623.0824      205.0741 -658.7907      290.4413 -587.5814      289.5975 50.31461 25.03525 52.02127 25.72905 -1.706654      35.89913 
1 1 1 24  6  27 o 76.81122 30.86594 126.1200       212.5442 613.6563       302.3518 -350.1717      298.8448 131.0178 37.46582 60.32382 28.98397 70.69398       47.36832 
1 1 1 24  6  28 o 147.8294 24.59327 708.4873       205.7318 814.7542       288.7722 598.9552       293.1752 153.2505 33.09879 128.7101 36.92062 24.54045       49.58490 
1 1 1 24  6  29 o 115.2827 29.75380 457.4029       202.5235 695.1600       282.2393 205.0490       290.7742 139.3822 34.67029 89.04025 35.98814 50.34195       49.97174 
1 1 1 24  6  30 f 65.20718 28.08879 30.51013       194.7592 137.4905       276.2397 -75.22678      274.6296 82.20691 34.33776 68.35502 31.12988 13.85189       46.34815 
1 1 1 24  6  31 o 188.0056 17.43740 1099.490       190.0752 1074.172       271.4553 1123.845       266.2347 179.3532 26.61297 184.5832 25.25518 -5.229996      36.68889 
1 1 1 24  6  32 o 169.9776 18.98642 914.5565       186.0428 1132.541       260.1575 686.4083       266.1536 185.0262 24.58232 136.7395 33.46500 48.28662       41.52345 
1 1 1 24  6  33 o 103.3306 28.75003 378.3557       180.5726 529.3697       260.6665 239.0247       250.3805 117.8974 35.09684 86.93854 33.95127 30.95889       48.83111 
1 1 1 24  6  34 o 50.04617 23.58617 -143.4922      179.4315 -9.943122      274.1689 -243.5482      237.3119 69.97639 31.56150 54.06208 25.93690 15.91430       40.85157 
1 1 1 24  6  35 o 123.4179 25.90264 528.1422       181.5015 372.8189       264.3753 666.6152       249.6233 98.68984 35.63831 133.5906 32.23391 -34.90072      48.05324 
1 1 1 24  6  36 f 59.93348 26.45098 10.10363       181.9180 1.141728       263.2987 18.28940       251.6391 68.57278 30.92887 68.44987 30.60488 0.1229172      43.51154 
1 1 1 24  6  37 o 66.25256 27.64428 91.20969       178.7601 531.0431       268.4244 -259.3191      239.6292 114.1207 35.93470 53.04174 25.60303 61.07895       44.12276 
1 1 1 24  6  38 o 54.21888 24.70291 -46.07544      173.1780 40.26951       275.7972 -102.2800      222.5139 71.22823 31.92925 57.64182 26.87450 13.58641       41.73387 
1 1 1 24  6  39 o 139.8214 23.30045 666.8622       184.3477 839.5630       295.5291 556.8585       235.8615 144.7172 35.16946 119.1338 32.74743 25.58343       48.05502 
1 1 1 24  7  0  o 372.6064 12.29921 4103.788       268.3999 4618.442       427.7034 3769.453       344.7273 393.3362 18.59343 355.9314 16.55964 37.40475       24.89853 
1 1 1 24  7  1  o 82.55573 32.07327 141.5964       222.5306 15.43658       252.3872 582.1946       471.6589 75.58013 32.25386 137.6452 47.79881 -62.06506      57.66314 
1 1 1 24  7  2  o 507.5055 15.52090 7642.317       461.4211 7577.383       600.9288 7735.600       720.2571 503.2020 20.40478 506.3078 24.32736 -3.105774      31.75178 
1 1 1 24  7  3  o 155.5259 27.92261 754.2797       245.3291 854.3431       293.5829 522.6879       446.6372 164.5649 31.56686 132.0177 46.46660 32.54715       56.17483 
1 1 1 24  7  4  o 206.0898 21.99714 1286.098       261.7668 1135.685       306.6691 1689.896       502.4689 191.5909 28.12975 229.9112 38.63356 -38.32031      47.78948 
1 1 1 24  7  5  o 126.0019 34.08558 506.4822       257.9250 532.8986       297.8288 427.2386       515.8364 129.1087 37.26762 128.4380 49.11048 0.6707001      61.64994 
1 1 1 24  7  6  f 186.9812 25.88568 1073.805       276.2573 1065.453       331.1944 1092.905       500.8506 184.2227 31.80333 181.0656 46.82061 3.157150       56.60054 
1 1 1 24  7  7  o 289.1114 18.68593 2498.794       315.1361 2395.669       383.8014 2712.189       552.0989 281.5124 23.45959 295.8349 32.34786 -14.32257      39.95919 
1 1 1 24  7  8  o 393.8485 21.66483 4655.378       498.4930 4655.378       498.4930 0.000000       0.000000 393.8485 21.66483 ?        ?        0.000000       21.66483 
1 1 1 24  7  9  f 243.8941 31.89073 1847.531       445.2427 1847.531       445.2427 0.000000       0.000000 243.8941 31.89073 ?        ?        0.000000       31.89073 
1 1 1 24  7  10 o 277.9533 31.39813 2387.477       502.8813 2387.477       502.8813 0.000000       0.000000 277.9533 31.39813 ?        ?        0.000000       31.39813 
1 1 1 24  7  11 o 393.3701 27.01823 4699.809       619.5316 4699.809       619.5316 0.000000       0.000000 393.3701 27.01823 ?        ?        0.000000       27.01823 
1 1 1 24  7  12 o 396.1599 24.50005 4739.284       566.4449 4739.284       566.4449 0.000000       0.000000 396.1599 24.50005 ?        ?        0.000000       24.50005 
1 1 1 24  7  13 o 463.8165 16.81597 6395.766       456.6666 6395.766       456.6666 0.000000       0.000000 463.8165 16.81597 ?        ?        0.000000       16.81597 
1 1 1 24  7  14 o 155.9512 38.44187 789.6287       349.3169 789.6287       349.3169 0.000000       0.000000 155.9512 38.44187 ?        ?        0.000000       38.44187 
1 1 1 24  7  15 f 132.1258 40.97059 559.4540       350.3315 559.4540       350.3315 0.000000       0.000000 132.1258 40.97059 ?        ?        0.000000       40.97059 
1 1 1 24  7  16 o 129.7378 35.22672 542.5816       274.8772 539.8197       340.9417 547.7111       464.6312 129.7636 40.44666 133.8783 47.36932 -4.114716      62.28791 
1 1 1 24  7  17 o 55.95382 27.00670 -392.4905      266.5052 -167.4647      327.1099 -836.7450      459.6143 74.40572 33.91976 68.32354 33.52188 6.082176       47.68927 
1 1 1 24  7  18 o 209.2278 22.08372 1333.655       266.8996 1377.258       329.6104 1250.621       454.8505 210.6345 27.32556 194.1005 41.23092 16.53406       49.46387 
1 1 1 24  7  19 o 72.31059 31.42799 -13.02498      248.2144 -143.5571      307.5523 230.8382       420.3717 72.65961 33.03282 106.9456 43.25458 -34.28599      54.42542 
1 1 1 24  7  20 o 96.55789 34.63248 264.1936       249.1701 95.68951       363.7172 413.2111       342.0403 92.92009 39.14413 116.1118 40.67931 -23.19174      56.45413 
1 1 1 24  7  21 o 275.8000 15.96653 2276.900       257.1549 2187.996       367.1988 2362.469       360.2449 267.1140 23.68507 278.3289 22.25459 -11.21484      32.49998 
1 1 1 24  7  22 o 259.1691 16.62801 2017.010       251.4065 2601.617       378.1108 1553.758       336.5860 291.8841 22.25590 223.3848 26.18829 68.49934       34.36789 
1 1 1 24  7  23 o 286.3155 15.65642 2457.610       261.8977 2474.463       391.2991 2443.934       352.4919 283.3283 23.76764 282.8579 21.40753 0.4704285      31.98723 
1 1 1 24  7  24 o 47.72997 23.44058 -428.7339      226.4504 -229.7420      341.5101 -584.8834      302.5214 71.88367 33.44027 54.34137 26.76699 17.54230       42.83368 
1 1 1 24  7  25 o 54.05046 25.56096 -215.1937      214.0922 -297.2252      315.1586 -144.9005      291.7398 65.27197 30.91076 69.01749 31.67735 -3.745529      44.25979 
1 1 1 24  7  26 o 62.19315 27.78967 -49.30785      207.1224 -150.6759      290.2389 55.88732       295.6671 67.99066 31.34752 80.51303 34.64456 -12.52237      46.72165 
1 1 1 24  7  27 o 166.0019 22.89646 875.9168       216.9809 826.2206       309.3360 924.0515       304.4373 153.5761 35.11131 164.3880 32.72833 -10.81189      47.99945 
1 1 1 24  7  28 o 76.72047 30.29703 142.5140       201.3047 186.6320       284.6049 98.34463       284.7707 87.61505 35.53457 80.98466 34.39996 6.630394       49.45769 
1 1 1 24  7  29 f 68.81751 29.03848 62.35928       200.6930 127.0808       289.4048 2.401099       278.5517 82.88329 34.91656 73.53764 32.57969 9.345657       47.75565 
1 1 1 24  7  30 o 58.90193 26.39455 -39.03537      188.2902 -78.41084      278.3729 -5.827869      255.6420 68.50135 31.25226 70.06102 31.11594 -1.559669      44.10108 
1 1 1 24  7  31 o 54.76524 25.10582 -82.33159      182.5086 192.4491       267.0396 -323.1893      250.0132 84.91715 34.42779 53.44221 25.88226 31.47494       43.07162 
1 1 1 24  7  32 o 63.60962 27.42548 35.55565       185.9953 17.23520       259.1026 55.03272       267.1564 70.81540 31.39517 74.06677 32.39077 -3.251373      45.10897 
1 1 1 24  7  33 o 58.00436 25.76912 -13.38094      175.4681 4.394355       254.1587 -29.56918      242.5471 69.09773 30.83552 65.71438 29.65817 3.383354       42.78360 
1 1 1 24  7  34 o 58.15982 26.05257 -22.63949      183.2623 -25.48388      283.0862 -20.58742      240.4470 69.84486 31.72905 65.58522 29.57108 4.259644       43.37258 
1 1 1 24  7  35 o 43.94754 21.46983 -281.6560      182.5336 -208.1009      277.4418 -337.7943      242.3792 60.23048 28.66105 50.89656 24.83762 9.333920       37.92576 
1 1 1 24  7  36 o 73.82929 29.06772 159.7147       184.8026 155.7933       278.1575 162.8134       247.2626 79.68274 33.92796 78.25689 32.57166 1.425850       47.03211 
1 1 1 24  7  37 o 57.14691 25.57749 -13.14669      176.2422 -53.72037      289.4649 10.75440       222.1686 67.72624 31.25427 64.49656 28.80272 3.229683       42.50208 
1 1 1 24  7  38 o 76.67370 29.00980 194.3222       178.8180 -4.511363      290.8381 315.1694       226.7382 69.98671 31.93544 91.01678 32.98539 -21.03008      45.91196 
1 1 1 24  7  39 o 74.92911 29.11610 179.0561       183.4159 332.4443       279.9902 63.75267       242.7549 92.23150 35.93585 69.52419 30.62472 22.70731       47.21503 
1 1 1 24  8  0  o 457.2210 12.23643 6176.787       327.8239 6854.731       542.1158 5785.963       411.6094 479.0078 19.33715 441.3492 15.92814 37.65854       25.05257 
1 1 1 24  8  1  o 156.3201 21.29200 743.9501       190.1319 565.8076       265.3443 931.9350       272.5758 132.9509 33.92387 173.3040 27.75439 -40.35313      43.83075 
1 1 1 24  8  2  o 72.32141 30.51011 29.87958       221.4695 -42.64550      252.4675 272.0175       461.3098 71.50321 31.37273 114.5337 45.65898 -43.03049      55.39847 
1 1 1 24  8  3  o 357.6364 15.88544 3800.892       332.3583 3775.743       397.9772 3858.858       604.2118 355.3830 19.16553 354.8317 29.29541 0.5513306      35.00769 
1 1 1 24  8  4  o 273.8398 18.03212 2240.432       287.9852 2097.190       340.4311 2600.886       540.0325 263.6315 22.22497 289.5107 32.35844 -25.87921      39.25580 
1 1 1 24  8  5  o 228.9493 20.87447 1579.243       277.2089 1565.640       327.0837 1613.928       522.2784 226.6509 25.02261 223.3325 41.39898 3.318466       48.37362 
1 1 1 24  8  6  o 55.37736 26.79729 -414.5660      266.6006 -230.1881      314.9641 -880.4899      500.6845 70.15311 32.45467 72.27321 35.36115 -2.120094      47.99705 
1 1 1 24  8  7  o 366.2966 22.56493 4036.995       482.3966 4036.995       482.3966 0.000000       0.000000 366.2966 22.56493 ?        ?        0.000000       22.56493 
1 1 1 24  8  8  o 439.7542 23.40547 5821.684       601.4658 5821.684       601.4658 0.000000       0.000000 439.7542 23.40547 ?        ?        0.000000       23.40547 
1 1 1 24  8  9  f 173.3548 42.63031 985.0068       430.3476 985.0068       430.3476 0.000000       0.000000 173.3548 42.63031 ?        ?        0.000000       42.63031 
1 1 1 24  8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  8  12 o 120.1569 48.50541 282.7400       527.5038 282.7400       527.5038 0.000000       0.000000 120.1569 48.50541 ?        ?        0.000000       48.50541 
1 1 1 24  8  13 o 303.6433 20.34239 2766.220       360.1667 2766.220       360.1667 0.000000       0.000000 303.6433 20.34239 ?        ?        0.000000       20.34239 
1 1 1 24  8  14 o 344.1751 19.13667 3544.339       384.7540 3544.339       384.7540 0.000000       0.000000 344.1751 19.13667 ?        ?        0.000000       19.13667 
1 1 1 24  8  15 o 370.1409 19.18625 4101.883       415.0715 4101.883       415.0715 0.000000       0.000000 370.1409 19.18625 ?        ?        0.000000       19.18625 
1 1 1 24  8  16 o 582.7665 12.85532 10045.31       439.3678 10103.00       565.2442 9957.240       698.3819 582.5624 16.56091 575.9207 20.71035 6.641724       26.51758 
1 1 1 24  8  17 o 196.3201 24.48599 1184.298       275.8127 1471.774       339.5132 626.3665       472.9844 218.0977 27.12801 139.5812 47.89286 78.51653       55.04230 
1 1 1 24  8  18 o 52.13464 25.47371 -457.0159      257.2719 -419.1995      316.2425 -531.0250      442.4080 62.10924 29.83504 74.25993 35.57036 -12.15068      46.42607 
1 1 1 24  8  19 o 368.3204 13.68250 4031.116       295.0435 3964.927       378.1249 4134.140       471.7452 363.6367 17.78428 369.2659 21.88111 -5.629150      28.19687 
1 1 1 24  8  20 o 162.2860 25.78073 823.7564       237.1764 901.0197       314.7116 722.1863       360.8356 166.7044 33.35500 146.4458 40.60180 20.25861       52.54581 
1 1 1 24  8  21 o 103.6183 34.43003 333.0839       244.4175 640.7233       368.0620 90.40034       326.9040 137.8669 41.85564 88.56126 37.19728 49.30564       55.99582 
1 1 1 24  8  22 o 246.0136 25.12636 1875.348       357.4409 0.000000       0.000000 1875.348       357.4409 ?        ?        246.0136 25.12636 0.000000       25.12636 
1 1 1 24  8  23 f 162.6003 27.09152 839.9678       249.2626 1051.700       383.1369 684.5815       328.2214 176.4360 38.14027 141.7832 38.49177 34.65285       54.18761 
1 1 1 24  8  24 o 47.19353 23.15748 -409.5152      219.5412 -211.8386      320.6957 -583.8634      301.1786 69.91880 32.48504 54.11069 26.66379 15.80811       42.02661 
1 1 1 24  8  25 o 71.72910 29.87887 67.74581       208.3126 -52.63332      298.9685 181.3350       290.4146 74.65868 33.37156 89.75734 36.07578 -15.09866      49.14390 
1 1 1 24  8  26 o 209.5810 17.75745 1345.369       216.2119 1328.093       309.5081 1361.836       302.1638 203.0309 26.63486 206.3677 25.50854 -3.336838      36.87956 
1 1 1 24  8  27 o 83.12062 31.10623 198.0697       204.3642 91.75351       286.5619 308.1052       291.5313 81.06702 34.47419 98.93117 37.12561 -17.86414      50.66341 
1 1 1 24  8  28 o 116.9700 30.06772 470.3731       207.3885 290.2838       290.5759 657.3556       296.0849 96.50991 36.86993 134.4775 36.57995 -37.96760      51.93731 
1 1 1 24  8  29 o 66.60192 28.43085 43.83127       196.2067 -110.8401      285.1340 182.9387       270.4077 67.87947 31.21433 85.52805 34.65561 -17.64857      46.64059 
1 1 1 24  8  30 o 78.56730 29.99091 176.0157       192.1613 209.3212       285.6422 148.4813       259.7180 88.04615 35.63930 81.31582 33.57120 6.730331       48.96106 
1 1 1 24  8  31 o 57.88182 25.96467 -35.31256      182.7299 42.77928       272.8885 -98.78964      246.0316 74.20447 32.58556 62.78335 28.91598 11.42112       43.56550 
1 1 1 24  8  32 o 191.6099 17.83028 1152.014       198.0677 988.3782       277.9527 1320.831       282.3185 168.6706 29.15251 199.6446 24.63378 -30.97397      38.16664 
1 1 1 24  8  33 o 107.3863 34.57661 437.5603       247.3921 0.000000       0.000000 437.5603       247.3921 ?        ?        107.3863 34.57661 0.000000       34.57661 
1 1 1 24  8  34 o 45.93250 22.31573 -264.3327      189.7358 -687.3696      308.5133 -6.999297      240.6207 49.94993 24.99927 66.32816 29.77100 -16.37822      38.87513 
1 1 1 24  8  35 o 89.57666 30.26529 290.1775       188.7781 493.0307       288.4399 138.1788       249.6803 109.8399 37.40763 76.77688 32.39269 33.06302       49.48351 
1 1 1 24  8  36 f 111.3787 28.04892 448.5525       183.0845 934.3915       287.9407 118.8231       237.2115 158.1163 32.14753 73.97728 31.40877 84.13907       44.94413 
1 1 1 24  8  37 o 61.39585 26.85360 30.69878       183.6842 125.0740       331.5462 -11.09802      220.6412 80.24796 35.54873 62.80533 28.32150 17.44263       45.45129 
1 1 1 24  8  38 o 62.13082 27.13886 37.20142       187.0624 -198.9444      310.4999 171.7438       234.3693 63.14692 30.12476 77.27509 31.89573 -14.12817      43.87298 
1 1 1 24  8  39 f 68.35976 28.24360 115.5061       184.0141 141.2380       292.4384 98.63947       236.7622 78.02110 34.00872 71.31608 30.84608 6.705017       45.91376 
1 1 1 24  9  0  o 182.0610 18.33071 996.5170       193.0637 1107.686       261.9313 864.2766       285.6784 190.4676 23.97878 165.8392 30.49584 24.62842       38.79405 
1 1 1 24  9  1  o 202.2108 17.26909 1223.894       202.8391 1550.206       283.7282 882.7762       290.0933 226.5439 21.61679 167.6167 30.63873 58.92720       37.49690 
1 1 1 24  9  2  o 292.4101 16.57251 2546.535       283.0413 2337.542       328.4506 3149.506       557.8946 279.0598 20.20569 319.9489 30.08483 -40.88916      36.24041 
1 1 1 24  9  3  o 92.11498 34.03388 215.4077       243.1626 578.1371       276.9604 -1004.658      507.9463 134.2846 34.86425 70.25909 34.62232 64.02550       49.13472 
1 1 1 24  9  4  o 156.2825 29.47203 765.8729       260.2253 678.5538       298.8837 1039.443       529.0318 145.3311 35.39929 175.8856 49.31026 -30.55450      60.70100 
1 1 1 24  9  5  o 116.5705 36.91807 421.6017       282.9422 369.9147       328.0215 571.8408       559.2469 113.2920 39.82568 140.3494 51.65588 -27.05737      65.22588 
1 1 1 24  9  6  o 218.6303 26.15310 1462.550       328.6942 1784.060       396.3395 754.3044       588.2498 240.8232 28.62117 154.0993 53.38781 86.72397       60.57582 
1 1 1 24  9  7  o 116.7772 42.31774 379.4193       373.1767 379.4193       373.1767 0.000000       0.000000 116.7772 42.31774 ?        ?        0.000000       42.31774 
1 1 1 24  9  8  o 147.8329 43.65772 710.6912       404.6407 710.6912       404.6407 0.000000       0.000000 147.8329 43.65772 ?        ?        0.000000       43.65772 
1 1 1 24  9  9  o 277.6466 32.02389 2387.659       511.9120 2387.659       511.9120 0.000000       0.000000 277.6466 32.02389 ?        ?        0.000000       32.02389 
1 1 1 24  9  10 o 433.7967 24.93867 5685.369       631.7944 5685.369       631.7944 0.000000       0.000000 433.7967 24.93867 ?        ?        0.000000       24.93867 
1 1 1 24  9  11 o 237.1878 26.91915 1722.108       367.8441 1722.108       367.8441 0.000000       0.000000 237.1878 26.91915 ?        ?        0.000000       26.91915 
1 1 1 24  9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  9  13 o 157.2645 45.06913 818.1039       437.0626 818.1039       437.0626 0.000000       0.000000 157.2645 45.06913 ?        ?        0.000000       45.06913 
1 1 1 24  9  14 o 318.0150 20.74556 3040.802       384.8097 3040.802       384.8097 0.000000       0.000000 318.0150 20.74556 ?        ?        0.000000       20.74556 
1 1 1 24  9  15 o 110.7952 41.74361 319.4185       369.3671 319.4185       369.3671 0.000000       0.000000 110.7952 41.74361 ?        ?        0.000000       41.74361 
1 1 1 24  9  16 o 96.03951 39.08270 155.3339       345.6377 155.3339       345.6377 0.000000       0.000000 96.03951 39.08270 ?        ?        0.000000       39.08270 
1 1 1 24  9  17 f 170.4187 28.52476 912.9404       275.0281 648.8400       326.9301 1552.340       508.6941 140.2931 38.55098 216.5650 41.56245 -76.27191      56.68876 
1 1 1 24  9  18 o 327.3051 15.42916 3195.010       295.3394 3395.953       372.4309 2854.539       484.7865 336.0373 18.97474 303.8195 27.50490 32.21786       33.41497 
1 1 1 24  9  19 o 86.94682 33.76464 170.2589       246.5376 146.8808       307.7455 212.1417       411.9127 90.99936 36.93490 104.7116 42.64541 -13.71224      56.41647 
1 1 1 24  9  20 o 236.3578 16.88130 1678.327       232.4650 1456.565       292.2483 2060.361       383.5826 217.7563 23.24286 258.1685 25.67396 -40.41222      34.63211 
1 1 1 24  9  21 o 46.57578 22.85134 -405.8094      213.5542 -212.9197      282.3523 -663.6485      326.4459 65.36098 30.40605 55.80993 27.54994 9.551052       41.03080 
1 1 1 24  9  22 o 184.9280 24.29363 1064.397       257.1130 1429.084       395.0145 796.3163       338.6775 209.9691 33.17895 153.6003 37.84570 56.36887       50.33031 
1 1 1 24  9  23 o 65.48798 29.34475 -69.77988      232.7108 -249.8706      353.9903 67.28302       308.8202 72.62201 33.87137 84.17993 35.79263 -11.55792      49.27861 
1 1 1 24  9  24 o 55.12870 26.14159 -237.8564      226.8405 -512.4160      332.3043 1.723117       310.4149 60.16632 29.29933 79.59135 34.85810 -19.42504      45.53612 
1 1 1 24  9  25 o 52.91108 25.14258 -227.1687      212.0005 -431.0963      304.4078 -35.10288      295.4220 58.65866 28.44426 74.97108 33.36395 -16.31242      43.84324 
1 1 1 24  9  26 o 78.56787 30.83300 149.5073       207.3451 248.0547       288.0233 43.49682       298.7304 93.91146 36.48790 79.45429 34.50592 14.45717       50.21976 
1 1 1 24  9  27 o 295.1055 13.42187 2623.034       231.6875 2359.037       318.8306 2918.428       337.2565 275.5336 19.86368 307.4815 18.79186 -31.94788      27.34410 
1 1 1 24  9  28 o 53.53103 25.02367 -145.9636      194.9938 -400.6817      274.4266 113.7770       277.1189 54.69969 26.63468 80.98890 34.14564 -26.28921      43.30509 
1 1 1 24  9  29 o 190.1168 18.77169 1128.615       206.5741 824.7980       295.4126 1419.332       288.9737 152.1021 33.97485 209.6011 23.93657 -57.49899      41.56020 
1 1 1 24  9  30 o 60.99941 26.88852 -5.866005      187.4440 -115.9822      284.7868 78.29996       248.9789 66.98807 30.94459 74.72945 31.96684 -7.741379      44.49097 
1 1 1 24  9  31 o 75.29649 29.24713 157.6485       185.0130 152.4954       277.9157 161.7499       247.9385 81.98724 34.35754 80.51114 32.97287 1.476105       47.61985 
1 1 1 24  9  32 o 67.67609 28.45307 76.80550       191.5678 73.66898       272.4792 79.87115       269.3829 75.55398 32.88195 75.69283 32.82039 -0.1388550     46.45859 
1 1 1 24  9  33 o 54.76395 25.28071 -90.41717      189.6128 158.6253       285.5448 -286.8469      253.5953 81.87803 34.59792 54.61857 26.35783 27.25946       43.49426 
1 1 1 24  9  34 o 60.57655 28.15240 -107.1365      241.1161 0.000000       0.000000 -107.1365      241.1161 ?        ?        60.57655 28.15240 0.000000       28.15240 
1 1 1 24  9  35 o 53.46321 24.80298 -94.04517      185.9003 -353.6355      289.6992 87.67976       242.3875 56.16361 27.35159 72.25992 31.23228 -16.09631      41.51584 
1 1 1 24  9  36 f 81.79987 29.88453 231.2092       186.6358 216.5256       282.7323 242.5490       248.4619 84.13720 34.90823 84.89754 33.61727 -0.7603455     48.46344 
1 1 1 24  9  37 o 87.89275 31.23313 285.7526       202.1861 875.8126       341.2046 -33.55849      251.0000 142.6098 39.46039 64.68345 29.57339 77.92634       49.31235 
1 1 1 24  9  38 o 57.97131 26.36863 -36.81875      196.2879 -290.2086      313.9439 125.8091       251.5098 60.23949 29.13301 74.75109 32.05568 -14.51160      43.31627 
1 1 1 24  10 0  o 305.9513 13.22809 2772.035       236.7950 3124.433       338.6032 2434.727       331.2744 323.5637 17.91344 284.8888 19.95339 38.67493       26.81472 
1 1 1 24  10 1  o 294.5300 13.70303 2571.042       236.0504 3053.037       341.7160 2131.131       326.4578 319.7262 18.30014 266.1050 21.09053 53.62122       27.92321 
1 1 1 24  10 2  o 65.22859 28.03065 -3.177234      193.0679 345.4619       256.0077 -462.9592      293.9957 107.0301 35.22405 57.82786 28.02062 49.20221       45.00988 
1 1 1 24  10 3  o 160.3863 28.98032 804.2380       262.5668 699.9938       295.3278 1197.445       573.5737 147.7847 34.67506 187.9766 50.82090 -40.19185      61.52336 
1 1 1 24  10 4  o 186.0713 26.93269 1067.541       285.3691 994.2889       325.5417 1310.608       593.0070 177.5716 32.45513 196.6241 50.99832 -19.05255      60.44969 
1 1 1 24  10 5  o 273.3797 20.37705 2243.659       324.3568 2492.414       389.5063 1680.940       585.8339 287.2086 23.32478 225.8895 45.79047 61.31917       51.38884 
1 1 1 24  10 6  o 340.4966 23.95642 3501.692       475.3402 3501.692       475.3402 0.000000       0.000000 340.4966 23.95642 ?        ?        0.000000       23.95642 
1 1 1 24  10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  10 8  o 334.3902 25.18815 3387.123       490.3383 3387.123       490.3383 0.000000       0.000000 334.3902 25.18815 ?        ?        0.000000       25.18815 
1 1 1 24  10 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  10 12 o 229.1071 26.00249 1606.136       343.2126 1606.136       343.2126 0.000000       0.000000 229.1071 26.00249 ?        ?        0.000000       26.00249 
1 1 1 24  10 13 o 166.4232 35.57409 890.9178       336.6878 890.9178       336.6878 0.000000       0.000000 166.4232 35.57409 ?        ?        0.000000       35.57409 
1 1 1 24  10 14 o 210.0690 29.59581 1374.602       354.5283 1374.602       354.5283 0.000000       0.000000 210.0690 29.59581 ?        ?        0.000000       29.59581 
1 1 1 24  10 15 o 98.37919 39.10459 196.0347       337.4102 196.0347       337.4102 0.000000       0.000000 98.37919 39.10459 ?        ?        0.000000       39.10459 
1 1 1 24  10 16 o 109.3420 40.24409 331.3547       339.4460 331.3547       339.4460 0.000000       0.000000 109.3420 40.24409 ?        ?        0.000000       40.24409 
1 1 1 24  10 17 o 381.6155 14.14290 4328.844       315.9824 4169.610       380.8280 4680.703       566.1015 373.2090 17.44737 391.4796 24.78391 -18.27051      30.30929 
1 1 1 24  10 18 o 371.4070 13.86260 4100.839       301.4272 3805.866       366.5079 4717.378       529.8740 356.2973 17.59404 393.7669 23.04546 -37.46957      28.99385 
1 1 1 24  10 19 o 113.6961 33.89054 417.2820       242.9313 456.0097       291.7189 329.6605       438.7920 118.7459 37.47091 114.3127 44.85577 4.433121       58.44749 
1 1 1 24  10 20 o 100.2945 32.08675 315.0215       213.2898 330.3657       281.9132 294.4803       326.1801 104.9960 36.91977 104.2238 39.23616 0.7722321      53.87528 
1 1 1 24  10 21 o 78.51582 31.49884 113.9244       220.9647 -24.78249      300.2717 277.7560       326.3354 77.82714 34.17873 102.4568 39.08964 -24.62968      51.92481 
1 1 1 24  10 22 o 329.2443 13.43113 3231.058       258.8027 3313.321       351.5701 3133.750       382.3715 331.2130 18.16856 320.8584 20.42595 10.35464       27.33708 
1 1 1 24  10 23 o 83.87740 32.59735 166.8238       229.9206 260.9784       362.5100 103.4587       297.3888 102.3419 40.58025 85.28742 35.62650 17.05451       54.00004 
1 1 1 24  10 24 o 286.8441 14.15774 2468.502       237.4358 2873.986       363.8354 2167.722       313.3597 305.9395 20.39417 265.6130 20.26916 40.32642       28.75345 
1 1 1 24  10 25 o 56.91378 26.21225 -118.6676      202.1623 -377.2939      317.2404 58.17064       262.3254 61.99314 29.80582 76.95077 32.86200 -14.95763      44.36551 
1 1 1 24  10 26 o 46.16439 22.52300 -326.7106      198.9744 -391.2754      299.5548 -275.7322      266.1776 58.80035 28.44198 58.58067 27.93125 0.2196770      39.86353 
1 1 1 24  10 27 o 54.25215 25.36819 -151.8931      200.6418 63.25727       291.8445 -344.7266      276.2943 79.19052 34.24938 57.04285 27.52387 22.14767       43.93840 
1 1 1 24  10 28 f 99.50831 30.90242 340.8462       199.2220 411.8479       280.1770 268.2351       283.3345 107.4713 36.86118 93.68778 36.24765 13.78351       51.69757 
1 1 1 24  10 29 o 102.6275 30.93506 368.1483       201.5613 373.8032       293.6461 363.1101       277.1684 103.0764 37.51159 101.7994 36.52476 1.277023       52.35625 
1 1 1 24  10 30 o 98.61481 29.96840 340.7694       188.6229 188.2981       288.2824 454.9064       249.4234 85.94926 35.41511 111.1443 34.58727 -25.19500      49.50262 
1 1 1 24  10 31 o 114.7168 28.70487 462.9798       192.6351 365.6573       277.0226 554.1019       268.0530 100.1002 36.43347 120.7722 35.49836 -20.67203      50.86778 
1 1 1 24  10 32 o 101.0336 30.31188 367.7882       193.8561 372.0526       286.1677 364.1716       263.5364 100.0829 36.93108 99.26692 35.61535 0.8159485      51.30650 
1 1 1 24  10 33 o 54.88230 25.11937 -67.44335      181.7335 -180.7858      287.3984 8.072204       234.5883 62.88250 29.70097 66.75485 29.71782 -3.872353      42.01542 
1 1 1 24  10 34 o 103.4534 30.85336 397.4455       201.3001 229.4496       310.5410 519.1948       264.3643 87.26446 36.42559 114.4197 35.60837 -27.15523      50.93898 
1 1 1 24  10 35 o 45.81602 22.38605 -296.8905      198.6657 -125.8306      304.5184 -423.6454      262.1331 66.23946 31.06321 50.55274 24.90380 15.68673       39.81359 
1 1 1 24  10 36 o 63.39120 27.66836 38.81596       194.1135 -69.21143      300.0106 116.6062       254.5847 68.02995 31.54288 74.85391 32.17778 -6.823959      45.05954 
1 1 1 24  10 37 o 91.23318 31.84063 315.4781       209.4314 283.3419       356.2214 332.4539       258.9038 90.33092 38.42597 92.63203 34.93807 -2.301102      51.93480 
1 1 1 24  10 38 o 64.97256 28.08126 61.76959       195.9283 141.1546       333.6158 19.97347       242.0724 80.64969 35.69643 66.69785 29.90478 13.95184       46.56749 
1 1 1 24  11 0  o 336.5694 18.59534 3384.217       365.6269 0.000000       0.000000 3384.217       365.6269 ?        ?        336.5694 18.59534 0.000000       18.59534 
1 1 1 24  11 1  o 204.4772 17.73658 1252.523       210.5973 1408.026       280.9293 1053.022       318.1997 215.5491 22.55648 183.4533 30.65585 32.09573       38.06016 
1 1 1 24  11 2  o 199.8393 19.33019 1201.352       223.7267 1340.723       300.6330 1028.364       334.9339 209.5446 24.95258 180.4805 32.85298 29.06406       41.25469 
1 1 1 24  11 3  o 281.6130 18.64147 2371.678       306.1484 2354.627       356.6198 2419.455       596.9446 279.5599 21.92637 276.4503 37.80811 3.109589       43.70605 
1 1 1 24  11 4  o 58.03094 27.82249 -366.0250      272.0590 -421.8856      312.8760 -192.8504      550.8854 62.02332 29.76294 98.76866 44.62524 -36.74534      53.63995 
1 1 1 24  11 5  o 169.2144 34.13945 910.5242       327.1018 1163.622       379.1748 174.2041       646.7384 191.4891 35.05472 122.8465 51.99664 68.64256       62.70951 
1 1 1 24  11 6  o 149.9209 40.09850 730.4751       359.4215 730.4751       359.4215 0.000000       0.000000 149.9209 40.09850 ?        ?        0.000000       40.09850 
1 1 1 24  11 7  o 201.0721 34.36097 1276.368       390.6545 1276.368       390.6545 0.000000       0.000000 201.0721 34.36097 ?        ?        0.000000       34.36097 
1 1 1 24  11 8  o 491.8304 22.65162 7269.537       651.6247 7269.537       651.6247 0.000000       0.000000 491.8304 22.65162 ?        ?        0.000000       22.65162 
1 1 1 24  11 9  o 221.6358 32.13269 1533.497       405.5071 1533.497       405.5071 0.000000       0.000000 221.6358 32.13269 ?        ?        0.000000       32.13269 
1 1 1 24  11 10 o 273.4620 21.74086 2253.432       345.8096 2253.432       345.8096 0.000000       0.000000 273.4620 21.74086 ?        ?        0.000000       21.74086 
1 1 1 24  11 11 o 549.6642 23.23922 9099.908       747.4609 9099.908       747.4609 0.000000       0.000000 549.6642 23.23922 ?        ?        0.000000       23.23922 
1 1 1 24  11 12 o 291.1639 20.83800 2551.061       353.4787 2551.061       353.4787 0.000000       0.000000 291.1639 20.83800 ?        ?        0.000000       20.83800 
1 1 1 24  11 13 o 349.3723 30.35196 3772.020       615.7422 3772.020       615.7422 0.000000       0.000000 349.3723 30.35196 ?        ?        0.000000       30.35196 
1 1 1 24  11 14 o 382.6529 23.73265 4438.036       529.9793 4438.036       529.9793 0.000000       0.000000 382.6529 23.73265 ?        ?        0.000000       23.73265 
1 1 1 24  11 15 o 132.9825 39.57322 577.5959       331.4465 577.5959       331.4465 0.000000       0.000000 132.9825 39.57322 ?        ?        0.000000       39.57322 
1 1 1 24  11 16 o 329.3731 18.55595 3257.548       356.9950 3257.548       356.9950 0.000000       0.000000 329.3731 18.55595 ?        ?        0.000000       18.55595 
1 1 1 24  11 17 o 191.4238 29.98245 1158.253       325.5580 1158.253       325.5580 0.000000       0.000000 191.4238 29.98245 ?        ?        0.000000       29.98245 
1 1 1 24  11 18 o 107.3075 35.83234 357.1466       264.6684 482.9439       316.1086 62.18604       484.0414 122.0630 39.06358 101.8596 44.08083 20.20346       58.89893 
1 1 1 24  11 19 o 82.94425 32.85503 139.3889       237.3979 291.5175       285.0558 -204.9471      428.8601 101.3964 36.95002 83.90730 38.47260 17.48915       53.34270 
1 1 1 24  11 20 o 86.01612 32.37449 187.7407       222.0430 412.0987       295.5461 -103.0128      336.4473 113.7482 37.86211 77.93773 35.07417 35.81046       51.61140 
1 1 1 24  11 21 o 265.1387 16.03937 2110.723       248.2419 2133.889       330.2556 2080.633       376.3840 264.1725 21.50210 258.9404 25.09893 5.232117       33.04991 
1 1 1 24  11 22 o 182.7900 22.95473 1038.096       240.6665 939.0317       326.8475 1155.412       355.6861 168.1931 34.29887 187.4437 33.58906 -19.25058      48.00664 
1 1 1 24  11 23 o 134.2836 27.18818 583.3405       206.7648 557.5179       277.0009 615.8309       310.7136 127.9752 35.60898 133.5560 37.91121 -5.580765      52.01211 
1 1 1 24  11 24 o 73.66989 29.90233 100.0369       201.7190 145.9947       280.1857 50.58217       290.6495 85.71722 35.07212 79.81517 34.34686 5.902046       49.08931 
1 1 1 24  11 25 o 51.44904 24.59342 -243.2772      209.1458 -2.035472      311.0645 -442.3069      282.5421 78.00678 34.50052 54.99797 26.83419 23.00882       43.70766 
1 1 1 24  11 26 o 145.2117 26.60864 694.3896       218.2595 707.6837       322.9125 683.2078       296.1518 139.0373 38.35572 138.0359 36.15793 1.001419       52.71202 
1 1 1 24  11 27 o 81.22753 31.41004 179.9654       212.6695 360.8928       306.3900 11.75114       295.4295 103.2184 38.19117 76.06564 33.63308 27.15279       50.88958 
1 1 1 24  11 28 o 132.0922 28.58725 594.3940       215.0239 486.9411       320.7054 682.1442       289.8151 114.4811 39.43095 136.6881 35.75155 -22.20702      53.22569 
1 1 1 24  11 29 o 79.07605 30.55843 175.5167       201.1986 145.5272       305.8649 198.3911       267.1283 84.53350 35.76812 85.81496 34.56145 -1.281456      49.73783 
1 1 1 24  11 30 o 59.85308 26.98183 -42.78764      200.0824 187.2249       323.1492 -185.7871      254.7972 87.61893 36.90295 59.53848 28.07406 28.08046       46.36789 
1 1 1 24  11 31 o 126.6321 28.13075 559.2654       203.4869 440.2168       297.0164 664.5689       279.3440 107.0629 37.87405 132.3987 35.32294 -25.33584      51.78951 
1 1 1 24  11 32 o 45.95942 22.35960 -277.7686      192.2640 -357.9084      286.3136 -211.9520      259.4689 56.32175 27.37466 58.42025 27.77615 -2.098495      38.99854 
1 1 1 24  11 33 o 55.31023 25.59155 -93.26035      195.9408 -29.60425      297.0793 -142.2730      260.6793 70.79299 32.29296 61.32175 28.75172 9.471237       43.23768 
1 1 1 24  11 34 o 50.02512 23.91369 -195.2227      197.7856 -373.0519      308.4408 -71.03576      257.7557 57.77848 28.15685 64.14614 29.56286 -6.367661      40.82611 
1 1 1 24  11 35 o 94.01029 30.25073 327.4070       189.3822 356.4709       300.6305 308.2851       243.8495 95.96223 37.27980 91.16818 34.00659 4.794044       50.46019 
1 1 1 24  11 36 o 59.25380 26.58637 -11.47797      191.7095 89.74264       319.9694 -68.16295      239.4462 77.53127 34.59868 61.61658 28.43164 15.91469       44.78199 
1 1 1 24  11 37 o 64.84043 28.40734 45.08331       206.3111 368.1043       357.7744 -115.8417      252.5257 95.74166 39.45205 60.46721 28.33420 35.27446       48.57253 
1 1 1 24  11 38 o 74.01320 29.65402 164.9139       195.5757 247.5730       327.9445 119.2891       243.6440 86.51392 36.83810 73.36819 31.50803 13.14572       48.47475 
1 1 1 24  12 0  o 268.2349 14.74952 2137.015       231.1366 2398.541       299.6667 1752.922       363.1616 283.3279 18.12940 239.4510 26.29222 43.87685       31.93675 
1 1 1 24  12 1  o 116.1756 29.84818 426.9996       204.4428 664.6433       250.9021 -42.52420      352.6711 145.0483 30.46534 84.71635 37.12742 60.33192       48.02689 
1 1 1 24  12 2  o 131.5187 29.34641 546.1063       220.6052 656.1913       284.2646 379.4129       349.7984 143.1410 34.30879 115.3335 41.07159 27.80751       53.51606 
1 1 1 24  12 3  o 261.6062 21.24357 2060.059       323.1290 2198.298       369.4805 1610.456       666.3327 269.4932 23.61567 217.3130 52.80788 52.18018       57.84784 
1 1 1 24  12 4  o 295.5851 20.18776 2620.077       347.8615 2425.775       406.3326 3153.250       673.0947 282.7838 24.74982 316.6762 36.93443 -33.89243      44.46016 
1 1 1 24  12 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  12 7  o 203.2803 31.65368 1291.909       365.0902 1291.909       365.0902 0.000000       0.000000 203.2803 31.65368 ?        ?        0.000000       31.65368 
1 1 1 24  12 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  12 10 o 410.2673 25.28945 5103.505       605.5372 5103.505       605.5372 0.000000       0.000000 410.2673 25.28945 ?        ?        0.000000       25.28945 
1 1 1 24  12 11 o 106.1892 46.74695 -33.25711      564.8293 -33.25711      564.8293 0.000000       0.000000 106.1892 46.74695 ?        ?        0.000000       46.74695 
1 1 1 24  12 12 o 270.3400 38.29387 2338.845       590.1678 2338.845       590.1678 0.000000       0.000000 270.3400 38.29387 ?        ?        0.000000       38.29387 
1 1 1 24  12 13 o 420.1028 16.50993 5258.396       405.9803 5258.396       405.9803 0.000000       0.000000 420.1028 16.50993 ?        ?        0.000000       16.50993 
1 1 1 24  12 14 o 266.8509 39.17179 2303.202       594.8066 2303.202       594.8066 0.000000       0.000000 266.8509 39.17179 ?        ?        0.000000       39.17179 
1 1 1 24  12 15 o 127.8125 39.16365 531.9686       321.2593 531.9686       321.2593 0.000000       0.000000 127.8125 39.16365 ?        ?        0.000000       39.16365 
1 1 1 24  12 16 o 82.85280 35.71223 17.40072       315.2042 17.40072       315.2042 0.000000       0.000000 82.85280 35.71223 ?        ?        0.000000       35.71223 
1 1 1 24  12 17 o 154.8218 44.96725 822.3120       432.3775 822.3120       432.3775 0.000000       0.000000 154.8218 44.96725 ?        ?        0.000000       44.96725 
1 1 1 24  12 18 o 91.63834 36.56093 171.8025       296.0188 214.7886       383.0212 108.0438       466.4753 102.3153 41.32182 102.5660 43.81188 -0.2506561     60.22436 
1 1 1 24  12 19 o 194.6007 22.19254 1163.076       248.7590 1204.771       296.5199 1064.005       457.0742 196.3159 26.42460 175.2149 44.42514 21.10098       51.68997 
1 1 1 24  12 20 f 240.3806 17.80976 1744.647       249.2942 1865.473       319.4504 1556.455       398.6794 246.6286 22.32723 220.2385 31.78457 26.39009       38.84282 
1 1 1 24  12 21 o 269.4749 15.80176 2181.028       248.6361 2174.720       332.6748 2189.011       374.2314 266.4513 21.47046 265.7768 24.27669 0.6745605      32.40893 
1 1 1 24  12 22 o 65.09572 29.01801 -54.26088      224.4432 97.08385       295.9915 -259.0063      344.2728 84.60104 35.45536 70.80786 33.14864 13.79318       48.53777 
1 1 1 24  12 23 o 47.22752 22.98669 -330.1874      203.8149 -428.3787      290.4064 -234.8753      286.1171 57.01482 27.67871 63.84638 29.99446 -6.831558      40.81395 
1 1 1 24  12 24 o 141.3182 25.51274 645.8535       203.6699 670.1476       281.9267 619.3345       294.5535 139.0510 34.68750 132.6203 36.65113 6.430649       50.46314 
1 1 1 24  12 25 o 146.0634 24.63007 690.1008       203.4910 727.1558       275.1491 645.3643       302.3262 144.9372 33.09854 133.9016 37.17990 11.03558       49.77809 
1 1 1 24  12 26 o 80.48027 31.59504 166.3590       217.7890 -33.52752      322.2235 334.4744       295.5080 76.51428 34.38829 100.8483 37.47093 -24.33406      50.85888 
1 1 1 24  12 27 o 96.13853 32.78112 313.4011       221.5151 567.5037       347.6450 139.7157       287.4174 122.0865 41.07087 83.55624 34.97234 38.53024       53.94332 
1 1 1 24  12 28 o 92.59413 32.02682 288.6760       211.6557 135.4867       332.7672 392.7557       274.2897 86.27843 36.93285 104.8342 36.44820 -18.55576      51.88938 
1 1 1 24  12 29 o 57.64063 26.36459 -79.48866      199.7655 -18.06792      332.6253 -114.1410      249.8410 76.70126 34.66336 62.63480 28.95141 14.06646       45.16340 
1 1 1 24  12 30 f 248.1687 15.15135 1892.836       219.4695 1614.658       339.4012 2092.742       287.7165 218.6277 27.04644 257.4932 19.19034 -38.86551      33.16291 
1 1 1 24  12 31 o 100.7192 31.43108 368.3346       205.8237 -65.28720      321.5727 669.2520       267.8843 72.19533 33.18064 133.6782 34.07326 -61.48286      47.55988 
1 1 1 24  12 32 o 90.47987 31.96978 290.4128       211.5788 206.4641       341.9161 342.5053       269.3397 88.17857 37.58297 96.48657 35.78786 -8.308006      51.89654 
1 1 1 24  12 33 o 123.9567 28.68866 551.2495       204.4288 401.2042       332.3157 642.6004       259.2962 100.9286 39.19906 129.4961 33.79052 -28.56758      51.75293 
1 1 1 24  12 34 o 78.50649 29.74319 200.8080       188.1223 386.9509       308.2943 90.38052       237.4549 98.81671 37.92075 71.93505 31.00130 26.88166       48.98024 
1 1 1 24  12 35 o 76.47469 29.62236 183.9950       189.3895 444.3808       295.6300 2.744049       246.6493 103.7100 37.65334 66.70801 30.02481 37.00201       48.15873 
1 1 1 24  12 36 o 81.66755 30.26990 233.8204       192.6241 207.0222       307.2111 251.1810       247.2672 83.69674 35.64709 84.87690 33.55930 -1.180161      48.95857 
1 1 1 24  12 37 o 68.74730 29.33599 92.77236       208.7632 -499.5785      346.1555 431.3790       261.7155 57.41623 28.34783 102.3808 35.60250 -44.96455      45.50975 
1 1 1 24  13 0  o 240.9513 16.70643 1732.069       234.6204 1966.229       297.7710 1348.684       381.0167 255.8825 20.00107 207.4491 32.37392 48.43340       38.05409 
1 1 1 24  13 1  o 179.1256 21.96961 974.7955       225.9702 802.8818       275.4488 1328.626       395.1690 159.7495 30.51257 205.2330 34.02194 -45.48357      45.70021 
1 1 1 24  13 2  o 334.1643 36.14769 3500.128       697.1562 0.000000       0.000000 3500.128       697.1562 ?        ?        334.1643 36.14769 0.000000       36.14769 
1 1 1 24  13 3  o 442.7346 13.97444 5804.270       362.3967 5298.888       501.8323 6355.059       523.8916 420.6818 20.40099 461.2292 19.41092 -40.54742      28.15997 
1 1 1 24  13 4  o 311.9879 18.99798 2911.174       345.9649 2501.955       387.1396 4533.819       770.9060 287.7650 23.13402 381.5187 34.83763 -93.75366      41.81918 
1 1 1 24  13 5  o 144.7408 38.00897 678.1390       326.7182 678.1390       326.7182 0.000000       0.000000 144.7408 38.00897 ?        ?        0.000000       38.00897 
1 1 1 24  13 6  o 249.3672 25.22808 1893.852       363.8860 1893.852       363.8860 0.000000       0.000000 249.3672 25.22808 ?        ?        0.000000       25.22808 
1 1 1 24  13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  13 8  o 77.83247 35.43841 -179.5108      355.6686 -179.5108      355.6686 0.000000       0.000000 77.83247 35.43841 ?        ?        0.000000       35.43841 
1 1 1 24  13 9  o 177.0051 30.41612 983.2260       304.3718 983.2260       304.3718 0.000000       0.000000 177.0051 30.41612 ?        ?        0.000000       30.41612 
1 1 1 24  13 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  13 11 o 337.0884 31.73464 3532.533       619.9948 3532.533       619.9948 0.000000       0.000000 337.0884 31.73464 ?        ?        0.000000       31.73464 
1 1 1 24  13 12 o 151.9333 36.89883 752.8625       325.4713 752.8625       325.4713 0.000000       0.000000 151.9333 36.89883 ?        ?        0.000000       36.89883 
1 1 1 24  13 13 o 250.5800 23.27702 1912.558       338.1663 1912.558       338.1663 0.000000       0.000000 250.5800 23.27702 ?        ?        0.000000       23.27702 
1 1 1 24  13 14 o 106.7508 37.95956 331.7124       298.6953 331.7124       298.6953 0.000000       0.000000 106.7508 37.95956 ?        ?        0.000000       37.95956 
1 1 1 24  13 15 o 133.7883 35.96866 587.7498       288.2850 587.7498       288.2850 0.000000       0.000000 133.7883 35.96866 ?        ?        0.000000       35.96866 
1 1 1 24  13 16 o 212.8217 24.84131 1398.669       304.2325 1398.669       304.2325 0.000000       0.000000 212.8217 24.84131 ?        ?        0.000000       24.84131 
1 1 1 24  13 17 o 92.40282 34.41897 225.2335       249.6287 289.8174       293.9886 58.34408       472.5884 101.8488 37.45833 100.4791 43.51969 1.369728       57.42029 
1 1 1 24  13 18 o 116.0820 33.66797 438.8323       242.5391 436.6892       284.4569 444.5392       464.1898 116.2205 37.04153 123.2479 46.71507 -7.027435      59.61856 
1 1 1 24  13 19 o 61.75731 28.45793 -153.4895      238.7292 -248.7558      282.3641 85.29179       447.0336 63.60266 29.85376 99.07940 42.61610 -35.47674      52.03248 
1 1 1 24  13 20 o 262.8320 21.37103 2113.837       326.5831 2113.837       326.5831 0.000000       0.000000 262.8320 21.37103 ?        ?        0.000000       21.37103 
1 1 1 24  13 21 o 81.08044 33.47187 101.8416       258.1612 -4.700059      366.2979 206.9952       363.9041 85.61752 37.66976 98.61430 40.11268 -12.99678      55.02761 
1 1 1 24  13 22 o 216.8049 19.21313 1439.282       241.7701 1600.008       378.3386 1328.346       314.3215 222.4787 29.74051 204.1784 26.90302 18.30028       40.10325 
1 1 1 24  13 23 f 59.38428 27.01024 -89.50655      205.9306 -1.004673      278.2181 -196.7456      306.2567 74.91669 32.90015 67.88617 31.60983 7.030525       45.62457 
1 1 1 24  13 24 o 120.3030 28.69038 485.2548       199.5710 330.1903       259.1782 711.1115       312.7943 100.3510 35.39024 140.9936 37.26899 -40.64259      51.39500 
1 1 1 24  13 25 o 191.4753 18.82936 1137.816       208.7134 928.5333       272.3569 1435.580       324.8682 166.8047 28.88641 209.5264 27.06927 -42.72169      39.58750 
1 1 1 24  13 26 o 60.91542 27.35070 -46.60582      203.2758 41.99802       276.1799 -151.3483      300.2806 75.90211 33.06799 67.90664 31.51032 7.995468       45.67704 
1 1 1 24  13 27 o 75.68566 30.09210 139.5543       199.8563 -30.81790      279.1409 318.7438       286.2730 71.37849 32.04946 98.06541 36.79167 -26.68691      48.79339 
1 1 1 24  13 28 o 114.6827 31.26373 466.7495       216.0010 398.3655       356.0951 506.5582       271.6922 105.6817 40.70309 116.7433 36.06010 -11.06165      54.37897 
1 1 1 24  13 29 o 63.33610 27.89712 4.174738       201.4080 -103.2202      335.9354 64.44105       251.6525 72.50783 33.53477 73.45309 31.78583 -0.9452591     46.20519 
1 1 1 24  13 30 o 46.98158 22.87721 -297.6349      202.5008 -169.8553      328.3662 -376.0541      257.2403 68.40924 32.13639 52.21220 25.50309 16.19704       41.02628 
1 1 1 24  13 31 o 117.5903 29.37352 494.9223       201.9649 522.1580       349.1249 481.2236       247.6001 112.6481 40.91559 112.4330 34.36879 0.2150803      53.43500 
1 1 1 24  13 32 o 80.40366 30.42843 208.1183       196.7626 481.8525       340.0952 70.39418       241.2354 108.1451 40.19539 71.52608 31.03580 36.61899       50.78278 
1 1 1 24  13 33 o 42.66248 21.08519 -364.7373      193.2482 -312.0053      335.6644 -390.8807      236.3464 62.66855 30.26276 48.24505 23.74366 14.42350       38.46552 
1 1 1 24  13 34 o 62.88022 27.39211 37.24170       189.4686 9.025581       308.3643 54.35453       240.1466 72.87469 33.10934 69.50315 30.54311 3.371544       45.04564 
1 1 1 24  13 35 o 62.56466 26.98944 49.62151       180.3167 186.2858       289.8508 -36.66134      230.3081 81.81643 34.72745 62.37789 28.44623 19.43854       44.89079 
1 1 1 24  13 36 o 93.66658 30.38717 331.5885       190.8502 58.67131       330.6667 467.9177       233.7058 76.18044 34.48161 108.3481 33.44046 -32.16768      48.03380 
1 1 1 24  13 37 o 94.37560 30.03953 337.3675       187.1290 302.8759       336.6608 352.7882       225.1067 90.60874 37.88174 94.83233 33.01621 -4.223587      50.25034 
1 1 1 24  14 0  o 250.9829 29.75161 1946.236       429.4225 0.000000       0.000000 1946.236       429.4225 ?        ?        250.9829 29.75161 0.000000       29.75161 
1 1 1 24  14 1  o 91.65003 31.67765 238.3018       207.0507 193.6312       241.4646 362.3710       402.4155 89.69172 33.76007 116.8847 43.66843 -27.19299      55.19669 
1 1 1 24  14 2  o 258.0492 17.16535 1987.680       258.3031 2073.557       319.5143 1825.679       438.8428 262.4836 20.92892 242.2035 31.65079 20.28015       37.94459 
1 1 1 24  14 3  o 82.53036 31.64247 150.5630       214.5299 283.6267       257.5102 -151.2836      387.8447 100.2970 35.28419 83.17643 37.52470 17.12061       51.50803 
1 1 1 24  14 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  14 5  o 137.1714 35.72023 605.9809       290.1498 605.9809       290.1498 0.000000       0.000000 137.1714 35.72023 ?        ?        0.000000       35.72023 
1 1 1 24  14 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  14 7  o 147.8819 37.26290 709.6150       322.9949 709.6150       322.9949 0.000000       0.000000 147.8819 37.26290 ?        ?        0.000000       37.26290 
1 1 1 24  14 8  o 139.6059 38.31701 633.8010       323.1903 633.8010       323.1903 0.000000       0.000000 139.6059 38.31701 ?        ?        0.000000       38.31701 
1 1 1 24  14 9  o 395.9702 16.40254 4669.173       380.0868 4669.173       380.0868 0.000000       0.000000 395.9702 16.40254 ?        ?        0.000000       16.40254 
1 1 1 24  14 10 o 191.0779 52.66386 1271.197       609.0778 1271.197       609.0778 0.000000       0.000000 191.0779 52.66386 ?        ?        0.000000       52.66386 
1 1 1 24  14 11 o 251.7307 43.07920 2086.928       613.1455 2086.928       613.1455 0.000000       0.000000 251.7307 43.07920 ?        ?        0.000000       43.07920 
1 1 1 24  14 12 o 309.9482 36.31670 3062.455       647.6507 3062.455       647.6507 0.000000       0.000000 309.9482 36.31670 ?        ?        0.000000       36.31670 
1 1 1 24  14 13 o 246.4474 26.28614 1874.431       374.0705 1874.431       374.0705 0.000000       0.000000 246.4474 26.28614 ?        ?        0.000000       26.28614 
1 1 1 24  14 14 o 251.4705 21.91529 1924.372       319.9846 1924.372       319.9846 0.000000       0.000000 251.4705 21.91529 ?        ?        0.000000       21.91529 
1 1 1 24  14 15 o 182.5508 28.22100 1048.827       292.4034 1048.827       292.4034 0.000000       0.000000 182.5508 28.22100 ?        ?        0.000000       28.22100 
1 1 1 24  14 16 o 220.5209 22.22337 1488.005       283.4994 1488.005       283.4994 0.000000       0.000000 220.5209 22.22337 ?        ?        0.000000       22.22337 
1 1 1 24  14 17 o 241.5690 18.22303 1761.185       256.2702 1648.210       304.9049 2033.036       472.9769 231.8378 22.71610 252.1618 32.75568 -20.32404      39.86171 
1 1 1 24  14 18 o 226.9422 19.36429 1563.120       255.2715 1507.153       302.6548 1701.075       475.1699 220.9685 23.72544 227.4486 36.88396 -6.480164      43.85571 
1 1 1 24  14 19 f 206.2542 21.76227 1307.870       259.2795 1479.931       321.4830 987.6796       438.5505 217.6471 25.67957 167.6924 44.03617 49.95465       50.97671 
1 1 1 24  14 20 o 63.02087 28.61461 -101.9003      229.8826 30.62699       302.1663 -284.0070      354.2063 80.93151 34.92550 71.18296 33.41965 9.748550       48.33905 
1 1 1 24  14 21 o 224.0484 17.87458 1526.281       232.9243 1564.599       301.6559 1469.701       366.5573 224.1522 23.28552 213.1210 30.16928 11.03114       38.11038 
1 1 1 24  14 22 o 55.02342 25.84348 -185.4529      212.1891 -367.0835      280.6926 56.74994       324.1351 57.65855 27.80128 83.71571 36.15014 -26.05716      45.60421 
1 1 1 24  14 23 o 129.6109 34.37927 584.5797       265.5823 584.5797       265.5823 0.000000       0.000000 129.6109 34.37927 ?        ?        0.000000       34.37927 
1 1 1 24  14 24 o 87.95351 33.19825 226.1185       233.8593 282.5208       343.5849 177.4343       319.2123 99.11229 39.43964 89.80925 37.16133 9.303040       54.18901 
1 1 1 24  14 25 o 90.07034 30.55445 266.0487       192.4128 321.0324       254.4580 192.6290       294.0392 98.11787 35.02037 88.49039 36.03381 9.627472       50.24800 
1 1 1 24  14 26 o 81.99982 30.47040 201.1136       195.4137 218.0483       266.3802 181.3809       287.5453 88.19156 34.84399 86.59243 35.49135 1.599129       49.73670 
1 1 1 24  14 27 o 59.30545 26.68307 -46.07766      194.5966 -252.9125      272.0886 170.4998       278.4230 59.45800 28.31876 84.59496 34.82521 -25.13696      44.88594 
1 1 1 24  14 28 o 42.84032 21.13055 -364.5301      190.7051 -328.7078      270.5380 -399.9108      268.8653 56.00927 27.07674 53.35719 26.06465 2.652084       37.58345 
1 1 1 24  14 29 o 78.01737 31.07479 164.9350       213.4944 -161.3291      358.1944 344.7038       265.8834 71.82072 33.68351 97.87376 35.68283 -26.05305      49.06978 
1 1 1 24  14 30 o 192.5475 19.45343 1180.538       216.6673 1220.132       353.1515 1156.638       274.3753 181.8231 34.37691 185.1285 25.98535 -3.305374      43.09304 
1 1 1 24  14 31 o 80.67703 30.37398 208.5947       195.4815 207.7135       332.0311 209.0621       241.8371 87.72621 37.19939 83.08170 33.07937 4.644516       49.77991 
1 1 1 24  14 32 o 66.99287 28.60125 70.03051       198.6093 51.61407       332.5606 80.24048       247.6169 77.72932 34.93486 72.54993 31.46204 5.179390       47.01388 
1 1 1 24  14 33 o 49.00154 23.53731 -212.0776      196.7649 -352.2202      347.8559 -146.1402      238.6055 62.37191 30.28255 57.93132 27.27032 4.440594       40.75173 
1 1 1 24  14 34 o 44.98931 21.78351 -228.1609      176.8402 -606.7473      305.0400 -36.51453      217.0325 50.83814 25.35356 60.97313 27.73128 -10.13499      37.57429 
1 1 1 24  14 35 o 72.16417 28.79927 150.5253       183.7246 -662.5262      324.3821 534.5286       222.9284 51.49889 25.75360 117.9683 31.59201 -66.46939      40.75908 
1 1 1 24  14 36 o 51.03079 23.61486 -78.03225      166.9289 -31.11809      326.6565 -94.61379      194.2012 71.41596 33.04335 54.10815 25.18660 17.30781       41.54789 
1 1 1 24  14 37 o 81.22100 29.64367 236.4082       183.5725 370.2604       327.3486 175.0038       221.7164 94.81403 38.23336 76.27641 31.20283 18.53762       49.34983 
1 1 1 24  15 0  o 115.6363 28.56328 422.8863       192.5567 614.6052       226.4470 -77.71336      365.9142 139.7365 28.59591 84.19765 37.31963 55.53887       47.01575 
1 1 1 24  15 1  o 49.40004 23.56424 -240.9678      189.8827 -92.14805      222.0044 -646.5276      366.4871 63.46313 28.53149 62.18277 30.38771 1.280365       41.68283 
1 1 1 24  15 2  o 150.7905 23.97633 700.5262       204.9439 912.6328       240.6862 141.1979       390.8477 172.3830 24.49586 99.85684 41.20028 72.52620       47.93235 
1 1 1 24  15 3  o 288.9358 14.87705 2480.605       251.2487 2872.006       324.7868 1897.338       396.4802 310.0562 17.93765 248.4447 27.68035 61.61151       32.98425 
1 1 1 24  15 4  o 365.3342 27.87253 4082.941       592.6882 0.000000       0.000000 4082.941       592.6882 ?        ?        365.3342 27.87253 0.000000       27.87253 
1 1 1 24  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  15 6  o 268.7585 20.77363 2176.339       324.8953 2176.339       324.8953 0.000000       0.000000 268.7585 20.77363 ?        ?        0.000000       20.77363 
1 1 1 24  15 7  o 121.2904 37.31366 467.8251       291.2632 467.8251       291.2632 0.000000       0.000000 121.2904 37.31366 ?        ?        0.000000       37.31366 
1 1 1 24  15 8  o 142.0457 32.72649 647.8244       267.0220 647.8244       267.0220 0.000000       0.000000 142.0457 32.72649 ?        ?        0.000000       32.72649 
1 1 1 24  15 9  o 138.6911 36.05256 625.7132       295.9193 625.7132       295.9193 0.000000       0.000000 138.6911 36.05256 ?        ?        0.000000       36.05256 
1 1 1 24  15 10 o 266.8638 19.85769 2145.776       308.5638 2145.776       308.5638 0.000000       0.000000 266.8638 19.85769 ?        ?        0.000000       19.85769 
1 1 1 24  15 11 o 466.2612 20.74240 6549.853       565.7836 6549.853       565.7836 0.000000       0.000000 466.2612 20.74240 ?        ?        0.000000       20.74240 
1 1 1 24  15 12 o 374.9688 20.79414 4246.198       455.4939 4246.198       455.4939 0.000000       0.000000 374.9688 20.79414 ?        ?        0.000000       20.79414 
1 1 1 24  15 13 o 281.5851 25.38718 2439.115       414.7540 2439.115       414.7540 0.000000       0.000000 281.5851 25.38718 ?        ?        0.000000       25.38718 
1 1 1 24  15 14 o 173.6915 29.53539 957.7160       290.1046 957.7160       290.1046 0.000000       0.000000 173.6915 29.53539 ?        ?        0.000000       29.53539 
1 1 1 24  15 15 o 76.31519 33.10054 -1.086741      274.1752 -1.086741      274.1752 0.000000       0.000000 76.31519 33.10054 ?        ?        0.000000       33.10054 
1 1 1 24  15 16 o 70.16599 31.11365 -53.31273      254.6055 -53.31273      254.6055 0.000000       0.000000 70.16599 31.11365 ?        ?        0.000000       31.11365 
1 1 1 24  15 17 o 75.18707 31.42354 61.00965       231.5379 178.0371       273.6145 -234.1577      434.5397 89.73624 35.35741 82.95849 38.28720 6.777756       52.11580 
1 1 1 24  15 18 o 147.9852 29.11810 705.5950       243.7106 599.8411       280.9932 1026.684       489.6213 133.9878 35.27963 169.1248 47.44633 -35.13696      59.12534 
1 1 1 24  15 19 o 286.0439 15.55895 2456.652       260.0312 2389.331       314.3255 2602.623       462.8465 280.3698 19.23253 287.3187 27.81520 -6.948853      33.81679 
1 1 1 24  15 20 o 44.44452 22.00838 -466.1393      214.2536 -468.2374      277.0653 -463.0183      337.9157 54.06033 26.41910 62.47468 30.21661 -8.414349      40.13742 
1 1 1 24  15 21 o 48.29311 23.34509 -290.8904      201.0316 -112.4520      256.0578 -577.6030      324.5767 65.66657 29.96451 57.00944 28.01096 8.657131       41.01812 
1 1 1 24  15 22 o 51.89202 24.42601 -174.6868      191.3790 -147.6429      258.8066 -207.3176      284.2858 63.77740 29.47487 64.35946 30.12748 -0.5820618     42.14775 
1 1 1 24  15 23 o 222.0256 16.57879 1506.198       214.3185 1588.740       281.9273 1393.195       329.8730 224.9589 21.63545 206.1026 28.01517 18.85622       35.39693 
1 1 1 24  15 24 o 131.9493 26.82316 578.9033       200.4895 591.6473       263.0224 561.2297       309.7419 129.0970 34.19938 123.4871 38.56102 5.609917       51.54173 
1 1 1 24  15 25 o 57.71705 26.28988 -76.98816      195.9812 480.2213       267.3376 -724.3317      288.1497 115.1108 35.80561 47.77201 23.94550 67.33878       43.07469 
1 1 1 24  15 26 o 129.5262 34.26995 607.0100       264.3202 607.0100       264.3202 0.000000       0.000000 129.5262 34.26995 ?        ?        0.000000       34.26995 
1 1 1 24  15 27 o 68.94474 29.68175 47.86904       217.2360 -223.5865      336.5419 241.7630       284.4278 68.00706 32.12707 90.24032 35.89230 -22.23326      48.17059 
1 1 1 24  15 28 o 57.76234 26.14256 -50.89853      190.0159 58.51611       279.4686 -144.9663      259.1288 75.57130 33.08678 61.91446 28.91116 13.65684       43.93848 
1 1 1 24  15 29 o 73.62996 28.96911 146.5426       183.4390 53.47848       264.6486 232.6015       254.4932 73.43880 32.17417 86.55668 34.10112 -13.11787      46.88351 
1 1 1 24  15 30 o 73.66147 29.12874 147.9508       186.3105 74.76964       274.0904 210.8063       254.0187 75.23543 32.85711 84.05326 33.75466 -8.817833      47.10591 
1 1 1 24  15 31 o 85.68671 30.97469 254.4330       199.7746 385.1851       343.1148 187.3752       245.7198 100.0762 39.54361 80.96201 32.95072 19.11417       51.47277 
1 1 1 24  15 32 o 130.9702 26.57039 600.2712       197.1031 597.2622       337.6873 601.8260       242.7439 117.4699 40.46141 125.8812 32.61812 -8.411247      51.97180 
1 1 1 24  15 33 o 60.34293 26.48968 20.10177       180.2020 -110.0156      314.6453 83.61201       219.8242 67.73750 31.70444 69.66747 29.92365 -1.929977      43.59583 
1 1 1 24  15 34 o 87.94470 29.96137 283.6865       185.0392 -586.2258      349.9559 621.2759       218.0068 55.98362 27.79271 130.1044 29.28036 -74.12074      40.37046 
1 1 1 24  15 35 o 89.76437 30.14099 301.3075       187.2387 543.9949       351.3609 205.0565       221.2751 109.1423 40.79864 79.47144 31.64189 29.67087       51.63078 
1 1 1 24  15 36 o 113.4341 26.29446 461.5122       171.5105 410.2976       323.2858 481.5730       202.3315 98.49126 38.54499 112.7263 30.05645 -14.23505      48.87849 
1 1 1 24  16 0  o 478.3859 13.10978 6774.085       367.4639 7268.919       541.3207 6351.186       500.4295 493.1793 18.74956 461.0456 18.54538 32.13370       26.37189 
1 1 1 24  16 1  o 121.3160 26.65908 463.2439       184.4889 686.3614       215.2793 -153.7079      357.9818 148.6344 25.62128 79.19804 35.85953 69.43635       44.07216 
1 1 1 24  16 2  o 235.0632 15.52609 1647.030       212.8425 1815.840       258.5330 1291.952       374.9542 246.1877 18.03108 202.3067 32.71852 43.88094       37.35802 
1 1 1 24  16 3  o 200.7710 18.89940 1213.751       219.9180 1231.408       247.0542 1146.358       482.6514 201.5645 21.21692 184.9975 44.93684 16.56699       49.69384 
1 1 1 24  16 4  o 84.69048 31.52725 178.2392       209.3848 111.4262       235.6502 428.8344       456.3771 80.95827 32.51147 124.2932 46.49045 -43.33493      56.73057 
1 1 1 24  16 5  o 151.0845 30.59381 724.6549       261.7763 724.6549       261.7763 0.000000       0.000000 151.0845 30.59381 ?        ?        0.000000       30.59381 
1 1 1 24  16 6  o 149.9173 29.26101 710.2076       248.0339 710.2076       248.0339 0.000000       0.000000 149.9173 29.26101 ?        ?        0.000000       29.26101 
1 1 1 24  16 7  o 154.9990 29.01512 757.7822       254.0652 757.7822       254.0652 0.000000       0.000000 154.9990 29.01512 ?        ?        0.000000       29.01512 
1 1 1 24  16 8  o 205.5266 22.08957 1286.113       262.0856 1286.113       262.0856 0.000000       0.000000 205.5266 22.08957 ?        ?        0.000000       22.08957 
1 1 1 24  16 9  o 348.7051 16.53570 3630.632       337.2037 3630.632       337.2037 0.000000       0.000000 348.7051 16.53570 ?        ?        0.000000       16.53570 
1 1 1 24  16 10 o 233.9787 23.11581 1672.525       313.0620 1672.525       313.0620 0.000000       0.000000 233.9787 23.11581 ?        ?        0.000000       23.11581 
1 1 1 24  16 11 o 163.0956 52.83696 935.2040       577.1334 935.2040       577.1334 0.000000       0.000000 163.0956 52.83696 ?        ?        0.000000       52.83696 
1 1 1 24  16 12 o 255.7810 40.26454 2157.539       584.0617 2157.539       584.0617 0.000000       0.000000 255.7810 40.26454 ?        ?        0.000000       40.26454 
1 1 1 24  16 13 o 352.0314 16.45297 3708.893       338.7452 3708.893       338.7452 0.000000       0.000000 352.0314 16.45297 ?        ?        0.000000       16.45297 
1 1 1 24  16 14 o 233.6236 19.75586 1655.276       268.1493 1655.276       268.1493 0.000000       0.000000 233.6236 19.75586 ?        ?        0.000000       19.75586 
1 1 1 24  16 15 o 276.1225 18.36434 2300.025       295.7007 2300.025       295.7007 0.000000       0.000000 276.1225 18.36434 ?        ?        0.000000       18.36434 
1 1 1 24  16 16 o 222.0691 21.18406 1507.407       272.5583 1507.407       272.5583 0.000000       0.000000 222.0691 21.18406 ?        ?        0.000000       21.18406 
1 1 1 24  16 17 o 199.3445 21.71769 1222.286       249.8027 1063.639       298.4802 1593.216       456.4003 182.6298 28.82203 219.3254 36.78292 -36.69554      46.73000 
1 1 1 24  16 18 o 155.1269 27.38822 769.5131       240.0657 733.1624       276.0021 882.4750       486.5438 149.0048 32.50068 155.7266 48.28194 -6.721863      58.20171 
1 1 1 24  16 19 o 72.81631 30.61594 55.72387       221.8191 -137.5778      257.9496 604.4149       434.5913 64.96945 29.80719 131.7687 45.87480 -66.79927      54.70800 
1 1 1 24  16 20 o 70.51164 29.39560 63.55618       201.8672 -29.03805      250.3137 235.7989       341.3996 69.94860 30.94208 97.79529 39.18046 -27.84669      49.92515 
1 1 1 24  16 21 o 197.1537 18.26435 1193.802       208.7828 1133.620       262.7718 1296.846       343.8386 188.8957 24.28040 198.0226 30.59142 -9.126831      39.05602 
1 1 1 24  16 22 o 66.26235 28.20711 38.15214       192.1830 -3.539584      249.1261 99.42886       302.0245 70.56768 31.05644 83.20905 35.38883 -12.64137      47.08367 
1 1 1 24  16 23 o 88.94698 31.11358 253.3952       200.0435 443.3961       255.8744 -45.31002      320.8267 111.9797 35.05988 75.82159 34.17478 36.15813       48.96029 
1 1 1 24  16 24 o 165.1192 20.75974 862.6718       196.6013 1000.392       253.6054 655.2510       311.2332 174.9376 25.46567 132.7657 38.02698 42.17186       45.76627 
1 1 1 24  16 25 o 143.0763 24.98525 674.1876       202.0287 1025.570       274.1208 256.3810       298.9093 175.1794 27.59326 93.05671 36.86472 82.12267       46.04776 
1 1 1 24  16 26 o 96.79670 30.69873 325.6953       195.5814 302.9298       270.9783 350.4509       282.5736 95.34232 35.79004 100.1764 36.74384 -4.834030      51.29363 
1 1 1 24  16 27 o 45.91112 22.28370 -269.1074      187.9765 -176.7202      258.8401 -372.2092      273.4379 60.52622 28.46419 54.76419 26.64817 5.762028       38.99147 
1 1 1 24  16 28 o 72.13854 31.92058 29.08362       266.5937 29.08362       266.5937 0.000000       0.000000 72.13854 31.92058 ?        ?        0.000000       31.92058 
1 1 1 24  16 29 o 130.2294 28.66934 597.9477       213.0251 847.6379       345.6497 445.0223       270.5050 144.8019 39.57893 107.4375 36.22908 37.36437       53.65667 
1 1 1 24  16 30 o 41.93677 20.62753 -315.6982      177.5664 -333.0262      270.0717 -302.5042      235.6638 54.92259 26.66975 51.42978 24.95956 3.492805       36.52746 
1 1 1 24  16 31 o 98.07210 28.33225 347.1392       172.0674 361.8760       258.2067 335.3670       230.7771 97.32356 35.20989 94.71854 33.39571 2.605019       48.52845 
1 1 1 24  16 32 o 41.33577 20.28990 -285.5851      168.9785 -254.9215      261.1553 -307.6682      221.6243 56.06357 26.97750 48.81812 23.80732 7.245445       35.98019 
1 1 1 24  16 33 o 128.0410 24.20864 563.2437       175.1316 492.6238       323.9021 592.4185       208.1876 107.0679 39.32798 127.8503 28.49383 -20.78244      48.56530 
1 1 1 24  16 34 o 92.54435 29.87489 320.8767       184.6077 490.0021       360.1875 260.6206       214.9931 104.7389 40.77303 84.99387 31.88468 19.74506       51.75976 
1 1 1 24  16 35 o 75.30045 29.39919 180.5886       187.7037 891.0829       369.5180 -66.49849      217.9116 139.1996 41.86937 58.79996 27.12878 80.39968       49.89002 
1 1 1 24  16 36 o 56.96268 25.87055 -30.86175      188.0552 -319.8719      307.2275 142.3012       237.8105 58.17046 28.29228 74.47478 31.52673 -16.30433      42.36021 
1 1 1 24  17 0  o 379.5883 18.85714 4316.730       418.4826 0.000000       0.000000 4316.730       418.4826 ?        ?        379.5883 18.85714 0.000000       18.85714 
1 1 1 24  17 1  o 303.0475 13.32848 2724.158       236.3080 2973.230       298.6167 2306.865       386.5197 315.7849 16.17790 275.1706 24.19692 40.61429       29.10697 
1 1 1 24  17 2  o 228.8631 15.57088 1563.182       207.7522 1506.164       244.4972 1711.271       394.0316 223.7370 18.80705 234.5870 29.27569 -10.85004      34.79613 
1 1 1 24  17 3  o 173.7282 19.57571 914.3228       195.9837 954.5952       218.1778 746.0397       445.9924 177.0047 21.45465 149.5320 46.20333 27.47278       50.94163 
1 1 1 24  17 4  f 344.4855 28.77000 3661.698       575.9452 0.000000       0.000000 3661.698       575.9452 ?        ?        344.4855 28.77000 0.000000       28.77000 
1 1 1 24  17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  17 6  o 89.73274 32.70736 214.8583       223.3718 214.8583       223.3718 0.000000       0.000000 89.73274 32.70736 ?        ?        0.000000       32.70736 
1 1 1 24  17 7  o 163.5963 23.74681 826.1019       221.1887 826.1019       221.1887 0.000000       0.000000 163.5963 23.74681 ?        ?        0.000000       23.74681 
1 1 1 24  17 8  o 78.20101 31.72652 96.86438       226.9574 96.86438       226.9574 0.000000       0.000000 78.20101 31.72652 ?        ?        0.000000       31.72652 
1 1 1 24  17 9  o 164.6152 24.40417 840.4758       228.4807 840.4758       228.4807 0.000000       0.000000 164.6152 24.40417 ?        ?        0.000000       24.40417 
1 1 1 24  17 10 o 164.3560 26.23705 845.4730       244.4026 845.4730       244.4026 0.000000       0.000000 164.3560 26.23705 ?        ?        0.000000       26.23705 
1 1 1 24  17 11 o 364.1360 19.17142 3995.241       407.9770 3995.241       407.9770 0.000000       0.000000 364.1360 19.17142 ?        ?        0.000000       19.17142 
1 1 1 24  17 12 f 87.99284 39.92729 -152.7542      446.6932 -152.7542      446.6932 0.000000       0.000000 87.99284 39.92729 ?        ?        0.000000       39.92729 
1 1 1 24  17 13 o 188.7432 41.27776 1206.499       444.1633 1206.499       444.1633 0.000000       0.000000 188.7432 41.27776 ?        ?        0.000000       41.27776 
1 1 1 24  17 14 o 132.1744 32.13130 571.2855       246.6165 571.2855       246.6165 0.000000       0.000000 132.1744 32.13130 ?        ?        0.000000       32.13130 
1 1 1 24  17 15 o 100.6364 38.00356 273.6784       306.5426 273.6784       306.5426 0.000000       0.000000 100.6364 38.00356 ?        ?        0.000000       38.00356 
1 1 1 24  17 16 o 199.1350 23.96364 1232.443       274.2486 1232.443       274.2486 0.000000       0.000000 199.1350 23.96364 ?        ?        0.000000       23.96364 
1 1 1 24  17 17 o 123.5956 35.97735 513.5206       276.5011 513.5206       276.5011 0.000000       0.000000 123.5956 35.97735 ?        ?        0.000000       35.97735 
1 1 1 24  17 18 o 132.2947 29.52117 573.9523       223.2300 684.3318       258.1046 246.2816       444.7035 143.8291 31.47469 106.3214 43.91519 37.50771       54.02962 
1 1 1 24  17 19 o 177.3802 21.26972 978.4948       216.8599 971.8103       257.2091 994.9290       403.2996 174.4457 25.92786 166.7402 41.42596 7.705505       48.87090 
1 1 1 24  17 20 o 49.30255 23.70353 -261.8792      200.6009 -336.2461      247.8793 -120.7428      341.4839 53.85675 26.00718 75.43634 34.49146 -21.57959      43.19762 
1 1 1 24  17 21 o 85.43135 31.06776 218.9221       201.3743 202.8150       251.1323 247.9315       337.0252 87.15958 34.01242 96.58528 38.84814 -9.425705      51.63354 
1 1 1 24  17 22 o 150.9478 21.76004 724.4449       187.0794 700.8353       241.8674 759.6052       295.1612 143.9081 29.64482 146.3875 34.87840 -2.479370      45.77465 
1 1 1 24  17 23 o 152.4077 22.36596 744.5217       193.9700 767.3969       255.9448 713.6550       297.3093 149.8664 30.16527 140.2633 35.97239 9.603088       46.94631 
1 1 1 24  17 24 o 83.57278 30.15486 218.6130       189.2314 129.4499       259.0452 320.6328       277.0927 80.11568 33.34145 97.91775 36.30290 -17.80206      49.29050 
1 1 1 24  17 25 o 143.1981 32.16070 725.8752       263.4718 725.8752       263.4718 0.000000       0.000000 143.1981 32.16070 ?        ?        0.000000       32.16070 
1 1 1 24  17 26 o 286.9458 13.02998 2494.119       218.7054 2505.221       297.4846 2481.061       322.6364 283.5451 17.98187 280.4946 19.73878 3.050476       26.70144 
1 1 1 24  17 27 o 43.55694 21.46042 -358.4983      194.8815 -544.9789      265.4856 -140.6064      286.9754 48.39957 24.05794 65.28056 30.46380 -16.88099      38.81788 
1 1 1 24  17 28 o 46.98885 22.67080 -235.5781      187.3555 -90.36879      261.4640 -388.8238      268.6017 64.52675 29.75139 53.18510 25.99590 11.34164       39.50863 
1 1 1 24  17 29 f 82.29205 29.89717 225.9472       186.4232 229.6029       255.0091 221.7509       273.2159 85.54161 33.99781 85.74651 34.80181 -0.2049026     48.65200 
1 1 1 24  17 30 o 118.1666 26.00847 486.1988       175.3486 368.5926       262.7274 580.6656       235.4669 98.20205 35.51828 124.4529 32.06311 -26.25082      47.84968 
1 1 1 24  17 31 o 82.10374 33.94563 196.5996       266.0651 196.5996       266.0651 0.000000       0.000000 82.10374 33.94563 ?        ?        0.000000       33.94563 
1 1 1 24  17 32 o 73.15129 28.41296 161.8525       174.6055 33.11209       341.8414 207.2963       203.0977 76.45313 34.78405 79.57961 30.71585 -3.126480      46.40467 
1 1 1 24  17 33 o 163.6661 17.30447 854.2700       163.5869 896.2649       271.5435 830.3464       204.9527 155.1403 30.93024 156.7840 22.97076 -1.643738      38.52708 
1 1 1 24  17 34 f 74.08183 26.94977 183.7596       151.5468 391.2372       264.1897 82.00760       185.0128 97.98439 35.59191 65.51959 27.77490 32.46480       45.14675 
1 1 1 24  17 35 o 85.40424 28.11523 266.6377       163.0969 -78.15727      302.8748 407.4546       193.5575 67.06108 31.29524 103.3427 30.10689 -36.28165      43.42599 
1 1 1 24  18 0  o 142.5397 19.37021 619.0870       157.7415 584.9631       179.9489 732.3095       327.7832 137.4102 23.15162 149.2742 37.49593 -11.86404      44.06747 
1 1 1 24  18 1  o 204.7809 15.48110 1253.664       184.5495 1328.762       216.2734 1052.515       353.9540 210.2542 17.70342 180.7316 34.65409 29.52267       38.91423 
1 1 1 24  18 2  o 170.1152 18.20801 874.3498       178.8363 977.8048       204.2164 534.0110       370.3996 179.5660 19.71559 128.9528 42.36544 50.61327       46.72831 
1 1 1 24  18 3  o 102.0827 28.15509 330.1555       174.0167 364.0316       188.3361 132.4501       454.9844 106.9496 29.20844 103.9740 43.78961 2.975632       52.63709 
1 1 1 24  18 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  18 5  f 354.8146 17.25933 3768.315       358.0727 3768.315       358.0727 0.000000       0.000000 354.8146 17.25933 ?        ?        0.000000       17.25933 
1 1 1 24  18 6  o 180.9925 20.48000 997.6587       213.5756 997.6587       213.5756 0.000000       0.000000 180.9925 20.48000 ?        ?        0.000000       20.48000 
1 1 1 24  18 7  o 129.0171 27.57820 529.6761       202.3452 529.6761       202.3452 0.000000       0.000000 129.0171 27.57820 ?        ?        0.000000       27.57820 
1 1 1 24  18 8  f 76.39152 30.07900 116.9407       197.8995 116.9407       197.8995 0.000000       0.000000 76.39152 30.07900 ?        ?        0.000000       30.07900 
1 1 1 24  18 9  o 323.6883 32.15346 3313.725       602.3259 3313.725       602.3259 0.000000       0.000000 323.6883 32.15346 ?        ?        0.000000       32.15346 
1 1 1 24  18 10 o 233.0102 17.33217 1633.910       235.1564 1633.910       235.1564 0.000000       0.000000 233.0102 17.33217 ?        ?        0.000000       17.33217 
1 1 1 24  18 11 o 163.5166 50.41693 953.8948       531.3836 953.8948       531.3836 0.000000       0.000000 163.5166 50.41693 ?        ?        0.000000       50.41693 
1 1 1 24  18 12 o 279.0656 29.98796 2456.235       483.1076 2456.235       483.1076 0.000000       0.000000 279.0656 29.98796 ?        ?        0.000000       29.98796 
1 1 1 24  18 13 o 323.8242 14.64004 3130.846       277.3175 3130.846       277.3175 0.000000       0.000000 323.8242 14.64004 ?        ?        0.000000       14.64004 
1 1 1 24  18 14 o 68.44558 29.93381 -19.22936      228.1854 -19.22936      228.1854 0.000000       0.000000 68.44558 29.93381 ?        ?        0.000000       29.93381 
1 1 1 24  18 15 o 189.6261 22.65046 1113.187       246.9230 1113.187       246.9230 0.000000       0.000000 189.6261 22.65046 ?        ?        0.000000       22.65046 
1 1 1 24  18 16 o 116.4913 34.49975 451.7970       252.3920 451.7970       252.3920 0.000000       0.000000 116.4913 34.49975 ?        ?        0.000000       34.49975 
1 1 1 24  18 17 o 60.84600 27.39486 -72.39175      205.5132 -66.86576      237.9573 -88.61317      407.6981 66.13287 29.65064 85.09675 38.42451 -18.96387      48.53456 
1 1 1 24  18 18 o 125.9053 29.22479 524.6777       211.6329 470.5481       246.1077 678.3088       414.6173 117.7033 33.84743 136.4230 44.82310 -18.71975      56.16724 
1 1 1 24  18 19 o 76.51772 30.38114 130.0786       203.4457 292.5769       242.4657 -256.4756      373.9652 96.28529 34.20433 73.16211 34.34577 23.12318       48.47234 
1 1 1 24  18 20 o 72.24261 29.31889 101.2860       193.8925 185.0389       244.0969 -41.90536      319.1692 84.96820 33.42112 76.37578 34.28368 8.592422       47.87841 
1 1 1 24  18 21 o 192.0520 17.99322 1139.803       200.3049 1128.170       249.9242 1160.696       334.9327 188.0162 23.15384 184.2373 32.16747 3.778946       39.63391 
1 1 1 24  18 22 o 54.11729 24.78649 -86.95550      177.3597 -102.2032      231.9278 -65.47982      275.2480 61.60676 28.26418 69.28636 31.40052 -7.679604      42.24756 
1 1 1 24  18 23 o 49.60509 23.46342 -170.5005      180.5673 -33.33363      252.5031 -314.0573      258.3176 68.10625 30.53879 55.33785 26.67928 12.76839       40.55122 
1 1 1 24  18 24 o 138.6211 23.74008 629.2335       186.0643 681.2713       257.0414 571.9513       269.6830 138.6176 32.23025 124.6740 35.29569 13.94366       47.79723 
1 1 1 24  18 25 o 101.8523 31.67371 369.2880       209.2113 57.38614       349.8447 542.9260       261.0289 82.06418 36.42615 120.9346 34.88361 -38.87044      50.43541 
1 1 1 24  18 26 o 118.9529 27.27593 489.6350       186.2196 438.4589       263.7418 540.5114       262.9683 107.7958 35.76353 119.4794 35.17123 -11.68359      50.16020 
1 1 1 24  18 27 o 202.8812 16.33210 1279.770       192.6868 1163.389       277.8376 1387.619       267.4591 185.4222 26.28515 206.2709 22.47191 -20.84868      34.58172 
1 1 1 24  18 28 o 57.62068 25.83538 -26.18623      180.6820 54.59436       258.9732 -102.8008      252.2069 72.44529 31.78057 62.49848 28.95827 9.946808       42.99519 
1 1 1 24  18 29 o 82.15000 29.26805 229.9456       177.6519 290.7214       252.6994 170.5558       249.8013 90.56647 34.43499 79.72835 32.92073 10.83812       47.63972 
1 1 1 24  18 30 f 65.02605 27.01663 85.12658       169.6816 145.1019       242.3213 27.42757       237.6782 76.70370 32.10851 67.72767 30.04543 8.976036       43.97368 
1 1 1 24  18 31 o 55.15101 24.98717 -37.81421      174.1431 -138.9197      246.6883 62.61737       245.8647 59.11042 27.79513 70.46652 30.93752 -11.35610      41.58966 
1 1 1 24  18 32 o 142.1115 21.32001 670.7130       172.2157 530.8405       260.3368 779.5457       229.6409 114.3234 35.29604 148.0472 27.45914 -33.72383      44.71929 
1 1 1 24  18 33 o 54.94280 26.60695 -280.5351      264.0794 -280.5351      264.0794 0.000000       0.000000 54.94280 26.60695 ?        ?        0.000000       26.60695 
1 1 1 24  18 34 o 63.80773 26.21524 94.26170       157.3600 136.4521       354.1031 83.87954       175.6576 81.19211 36.30336 64.65415 27.21795 16.53796       45.37346 
1 1 1 24  18 35 o 71.43176 27.27533 163.2529       158.9685 -59.19220      253.0448 308.2816       204.3210 62.82973 29.07490 89.54375 31.43536 -26.71402      42.81976 
1 1 1 24  19 0  o 72.96146 25.98741 143.6955       140.0492 136.9441       155.7163 172.2727       320.3661 73.75752 27.23805 94.25954 37.88867 -20.50202      46.66329 
1 1 1 24  19 1  o 109.5895 23.61766 377.7649       147.3150 420.8054       163.6878 194.3305       337.9235 115.4576 24.90625 97.49603 39.00766 17.96161       46.28087 
1 1 1 24  19 2  o 116.7376 24.43087 429.2043       161.8849 499.3849       173.3316 -50.11607      452.9832 126.1754 24.30509 93.68561 41.52414 32.48981       48.11436 
1 1 1 24  19 3  o 176.8108 20.63179 953.8936       209.9259 1146.969       233.7382 148.5090       477.3842 193.9957 20.87208 106.0488 44.76927 87.94688       49.39566 
1 1 1 24  19 4  o 158.4815 22.00589 773.1233       199.0242 773.1233       199.0242 0.000000       0.000000 158.4815 22.00589 ?        ?        0.000000       22.00589 
1 1 1 24  19 5  o 82.56947 28.38494 196.9485       166.1655 179.1682       177.9323 318.1978       464.6495 81.24937 29.25055 115.1932 45.85619 -33.94382      54.39104 
1 1 1 24  19 6  o 401.6717 14.90262 4809.207       350.4536 4809.207       350.4536 0.000000       0.000000 401.6717 14.90262 ?        ?        0.000000       14.90262 
1 1 1 24  19 7  o 222.3866 16.94331 1487.194       219.3188 1487.194       219.3188 0.000000       0.000000 222.3866 16.94331 ?        ?        0.000000       16.94331 
1 1 1 24  19 8  o 143.5792 23.62255 642.7789       192.0040 642.7789       192.0040 0.000000       0.000000 143.5792 23.62255 ?        ?        0.000000       23.62255 
1 1 1 24  19 9  f 187.7688 18.85835 1070.222       204.8631 1070.222       204.8631 0.000000       0.000000 187.7688 18.85835 ?        ?        0.000000       18.85835 
1 1 1 24  19 10 o 136.8027 26.22371 593.2179       202.7424 593.2179       202.7424 0.000000       0.000000 136.8027 26.22371 ?        ?        0.000000       26.22371 
1 1 1 24  19 11 o 158.7012 22.99407 781.7672       207.7885 781.7672       207.7885 0.000000       0.000000 158.7012 22.99407 ?        ?        0.000000       22.99407 
1 1 1 24  19 12 o 273.9903 17.94161 2265.560       286.7155 2265.560       286.7155 0.000000       0.000000 273.9903 17.94161 ?        ?        0.000000       17.94161 
1 1 1 24  19 13 o 280.4920 15.55218 2359.603       254.8349 2359.603       254.8349 0.000000       0.000000 280.4920 15.55218 ?        ?        0.000000       15.55218 
1 1 1 24  19 14 o 204.2282 20.69716 1279.857       244.4812 1279.857       244.4812 0.000000       0.000000 204.2282 20.69716 ?        ?        0.000000       20.69716 
1 1 1 24  19 15 o 48.32494 23.57815 -370.2567      218.1232 -370.2567      218.1232 0.000000       0.000000 48.32494 23.57815 ?        ?        0.000000       23.57815 
1 1 1 24  19 16 o 184.4582 23.31787 1065.307       246.6269 1065.307       246.6269 0.000000       0.000000 184.4582 23.31787 ?        ?        0.000000       23.31787 
1 1 1 24  19 17 o 67.99643 28.58756 49.27254       193.3813 144.3803       222.9256 -239.8997      388.7141 80.21742 31.81773 75.85107 35.41589 4.366348       47.60938 
1 1 1 24  19 18 o 100.0110 30.75941 333.0897       197.9430 424.2238       230.5157 77.23234       386.2418 111.4727 32.95980 89.88133 39.13277 21.59141       51.16368 
1 1 1 24  19 19 o 54.12643 25.14043 -132.0573      191.8605 -167.6634      230.4658 -51.66762      346.2935 58.32727 27.24572 78.61834 35.46399 -20.29107      44.72163 
1 1 1 24  19 20 o 257.1051 14.20392 1999.989       213.3430 1916.885       261.7349 2164.517       368.2743 249.3733 18.01771 259.9205 24.44610 -10.54715      30.36856 
1 1 1 24  19 21 o 108.7538 28.85372 404.5622       187.0445 280.0845       234.1741 623.9335       310.8730 92.87943 33.54088 129.4852 38.27342 -36.60580      50.89053 
1 1 1 24  19 22 o 76.96848 29.08113 167.9074       179.5545 158.6714       239.0817 179.8563       271.9360 80.85445 32.64956 85.17363 34.66428 -4.319183      47.61939 
1 1 1 24  19 23 o 64.06484 27.00937 52.46444       173.3804 270.0083       234.8246 -208.2636      257.0775 91.01958 33.47729 59.32491 28.04165 31.69468       43.66993 
1 1 1 24  19 24 o 113.1495 27.12572 439.0999       177.6668 343.4268       256.4100 527.4532       246.4061 98.61789 35.15930 120.0483 33.65172 -21.43044      48.66842 
1 1 1 24  19 25 o 60.28746 26.47115 4.434008       180.0398 156.7681       255.5185 -145.7637      253.7204 80.50677 33.27386 61.12154 28.56287 19.38523       43.85188 
1 1 1 24  19 26 o 245.5871 13.86400 1843.322       198.8737 2047.829       289.1407 1659.709       273.9718 253.9147 19.56732 227.3699 20.77507 26.54488       28.53916 
1 1 1 24  19 27 o 122.6271 25.31963 513.9902       176.0586 552.5413       257.6966 480.2449       241.1000 120.0377 34.67096 112.5113 33.81542 7.526405       48.43096 
1 1 1 24  19 28 o 85.94553 29.16397 258.7641       175.2997 389.5457       248.8249 129.8859       247.0075 100.9599 34.73374 76.41743 32.22875 24.54244       47.38276 
1 1 1 24  19 29 o 59.68263 26.00995 23.94337       170.9812 -9.989948      237.6805 60.33812       246.1499 65.37637 29.44544 70.80021 31.02345 -5.423836      42.77252 
1 1 1 24  19 30 o 86.36640 29.17167 268.3912       175.3816 -7.187369      244.4604 560.6601       251.7544 65.92426 29.76187 119.1491 34.22428 -53.22488      45.35493 
1 1 1 24  19 31 o 84.16809 28.32574 253.3592       165.3594 -225.5548      243.1714 665.3088       225.5307 54.74568 26.26230 134.8095 29.35910 -80.06380      39.39118 
1 1 1 24  19 32 o 90.42217 28.18353 300.3600       165.5420 216.5750       249.8823 365.8923       220.9939 81.77750 33.24870 96.76278 32.74584 -14.98528      46.66654 
1 1 1 24  19 33 o 72.71533 27.60145 170.0718       162.1898 136.9974       249.3278 194.3347       213.5483 75.09379 32.05237 77.85793 31.05641 -2.764145      44.63020 
1 1 1 24  19 34 o 67.00008 26.93084 121.8119       161.8518 -93.98288      237.0582 310.2400       221.5172 59.40519 27.71069 89.71179 32.59038 -30.30660      42.77867 
1 1 1 24  20 0  o 344.1482 13.77217 3524.369       277.4089 3258.759       300.5471 5052.860       720.9767 330.2371 15.56179 401.0225 30.89301 -70.78543      34.59114 
1 1 1 24  20 1  o 59.90937 24.47403 47.01848       136.1720 95.62743       147.2142 -241.0227      358.3595 67.36835 26.11069 74.28381 34.45345 -6.915459      43.22971 
1 1 1 24  20 2  o 166.3008 18.18681 838.8676       174.4899 804.9645       188.9794 1034.869       454.3857 162.2073 20.30912 173.0547 44.51744 -10.84738      48.93120 
1 1 1 24  20 3  o 188.3292 44.65035 1223.981       485.6194 0.000000       0.000000 1223.981       485.6194 ?        ?        188.3292 44.65035 0.000000       44.65035 
1 1 1 24  20 4  o 124.1316 22.74184 481.5524       159.4619 509.9302       169.5850 264.9218       468.5518 127.5720 23.53314 111.6113 45.47263 15.96065       51.20126 
1 1 1 24  20 5  o 314.9044 22.03910 3022.616       404.4574 2865.695       578.2878 3172.882       565.8918 299.3287 33.51645 317.0865 30.81852 -17.75772      45.53167 
1 1 1 24  20 6  o 250.7116 16.63880 1888.130       243.2667 1888.130       243.2667 0.000000       0.000000 250.7116 16.63880 ?        ?        0.000000       16.63880 
1 1 1 24  20 7  o 171.4573 17.62366 890.4078       174.6953 890.4078       174.6953 0.000000       0.000000 171.4573 17.62366 ?        ?        0.000000       17.62366 
1 1 1 24  20 8  o 269.3819 14.72992 2168.696       231.8267 2168.696       231.8267 0.000000       0.000000 269.3819 14.72992 ?        ?        0.000000       14.72992 
1 1 1 24  20 9  o 190.8546 17.33493 1100.978       191.9183 1100.978       191.9183 0.000000       0.000000 190.8546 17.33493 ?        ?        0.000000       17.33493 
1 1 1 24  20 10 o 254.6553 17.34735 1954.889       257.5347 1954.889       257.5347 0.000000       0.000000 254.6553 17.34735 ?        ?        0.000000       17.34735 
1 1 1 24  20 11 o 251.5977 17.64851 1912.055       258.7628 1912.055       258.7628 0.000000       0.000000 251.5977 17.64851 ?        ?        0.000000       17.64851 
1 1 1 24  20 12 o 220.1281 16.26695 1460.498       208.5225 1460.498       208.5225 0.000000       0.000000 220.1281 16.26695 ?        ?        0.000000       16.26695 
1 1 1 24  20 13 o 117.0056 28.87788 447.3468       196.9414 447.3468       196.9414 0.000000       0.000000 117.0056 28.87788 ?        ?        0.000000       28.87788 
1 1 1 24  20 14 o 74.42896 29.15792 121.6749       185.1548 121.6749       185.1548 0.000000       0.000000 74.42896 29.15792 ?        ?        0.000000       29.15792 
1 1 1 24  20 15 o 95.54293 30.77417 293.7611       195.9603 293.7611       195.9603 0.000000       0.000000 95.54293 30.77417 ?        ?        0.000000       30.77417 
1 1 1 24  20 16 o 107.2691 30.56525 385.1179       201.5854 385.1179       201.5854 0.000000       0.000000 107.2691 30.56525 ?        ?        0.000000       30.56525 
1 1 1 24  20 17 o 173.6443 18.40419 930.2710       184.5750 1022.417       213.8595 661.2253       365.4297 181.0829 20.49726 133.8753 41.89609 47.20761       46.64140 
1 1 1 24  20 18 f 197.9754 16.57603 1199.514       190.6957 1196.987       223.0187 1206.386       367.7694 196.1333 19.65275 186.1693 34.96715 9.964081       40.11150 
1 1 1 24  20 19 o 59.16353 26.17825 -22.03886      179.2868 -35.61737      211.9780 12.08413       336.0381 63.07374 28.15310 80.33208 35.67633 -17.25834      45.44665 
1 1 1 24  20 20 o 188.3952 17.54067 1098.046       191.5790 1127.096       229.4496 1031.177       348.1195 188.7641 21.08583 169.2087 36.17583 19.55545       41.87246 
1 1 1 24  20 21 o 167.2426 18.79714 876.0107       181.1813 887.8648       224.8037 854.0385       306.0605 165.3028 23.87984 154.1158 34.69999 11.18695       42.12286 
1 1 1 24  20 22 o 93.20486 29.15241 297.1494       176.9566 422.5294       227.8742 106.6823       280.8607 108.6296 32.92427 79.94368 34.06749 28.68588       47.37723 
1 1 1 24  20 23 o 96.73788 27.31329 321.7973       161.7168 217.4932       215.6664 455.7774       244.4287 84.07998 31.84822 111.4303 34.16429 -27.35033      46.70661 
1 1 1 24  20 24 o 99.62669 27.45004 345.2289       165.5042 654.8332       224.3257 -24.61093      245.1786 137.0391 28.82662 66.68908 29.98258 70.34998       41.59241 
1 1 1 24  20 25 o 109.7008 31.29171 439.2204       211.1698 660.3300       360.8294 324.0421       260.4255 125.3210 41.83821 95.24565 35.21574 30.07530       54.68623 
1 1 1 24  20 26 o 46.43404 22.59312 -282.2112      196.4554 -386.7876      348.1624 -233.3612      237.9563 62.32891 30.26960 54.61735 26.14161 7.711563       39.99541 
1 1 1 24  20 27 o 102.9804 27.56965 376.6716       169.8074 359.6419       236.9743 394.6439       243.4443 97.95879 33.88799 101.7717 34.36919 -3.812912      48.26632 
1 1 1 24  20 28 o 58.94891 25.70036 21.16893       167.0759 -153.1139      222.7132 245.4985       252.6748 55.66911 26.24879 85.91053 33.93797 -30.24142      42.90437 
1 1 1 24  20 29 o 153.9896 19.56998 769.8475       172.7523 655.1532       236.8091 900.3158       252.5690 132.5748 31.01207 159.1729 28.08192 -26.59804      41.83710 
1 1 1 24  20 30 o 168.6697 16.68509 900.5030       162.8901 1031.663       237.3766 783.7784       223.9334 174.3809 23.83377 149.3759 26.53363 25.00496       35.66626 
1 1 1 24  20 31 o 55.64375 24.38381 13.64903       152.0858 70.27506       229.1998 -30.89707      203.2876 68.98579 30.08846 59.28122 26.91344 9.704575       40.36891 
1 1 1 24  20 32 o 117.9196 24.16438 484.2403       161.4926 642.4516       251.8579 373.7760       210.4496 127.3437 33.33836 97.82691 31.92170 29.51677       46.15670 
1 1 1 24  20 33 o 44.06713 21.17716 -178.3540      159.7147 -194.1622      268.4333 -169.6909      198.7158 58.53363 27.94765 50.70085 24.16281 7.832779       36.94472 
1 1 1 24  21 0  o 226.4487 12.92658 1527.231       170.9607 1607.267       196.8837 1281.914       344.6917 231.8542 14.55259 200.5696 30.24252 31.28459       33.56170 
1 1 1 24  21 1  f 132.7256 18.19270 538.3646       137.8901 560.7650       150.6499 422.6815       342.3549 135.0883 19.58577 116.1746 40.69825 18.91370       45.16580 
1 1 1 24  21 2  o 136.7994 20.42746 577.0204       158.8752 489.0255       168.9495 1249.554       467.0736 124.6045 23.98961 190.7981 42.79747 -66.19360      49.06246 
1 1 1 24  21 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  21 4  o 236.3475 13.41594 1665.471       185.1976 1693.622       198.6565 1478.583       511.8589 238.0798 14.29335 207.4266 43.46915 30.65321       45.75880 
1 1 1 24  21 5  o 237.1842 13.11431 1676.208       181.7138 1597.860       194.8205 2200.414       503.9338 231.1673 14.44219 261.2748 33.66895 -30.10750      36.63570 
1 1 1 24  21 6  o 53.83656 23.72384 -30.73389      145.8125 -30.73389      145.8125 0.000000       0.000000 53.83656 23.72384 ?        ?        0.000000       23.72384 
1 1 1 24  21 7  o 287.6458 30.67725 2627.662       509.5402 2627.662       509.5402 0.000000       0.000000 287.6458 30.67725 ?        ?        0.000000       30.67725 
1 1 1 24  21 8  o 239.7994 14.29178 1719.689       200.0830 1719.689       200.0830 0.000000       0.000000 239.7994 14.29178 ?        ?        0.000000       14.29178 
1 1 1 24  21 9  o 208.8367 15.63532 1311.709       190.1079 1311.709       190.1079 0.000000       0.000000 208.8367 15.63532 ?        ?        0.000000       15.63532 
1 1 1 24  21 10 o 249.0461 15.23340 1861.806       221.4341 1861.806       221.4341 0.000000       0.000000 249.0461 15.23340 ?        ?        0.000000       15.23340 
1 1 1 24  21 11 o 369.1217 16.89664 4106.473       364.8103 4106.473       364.8103 0.000000       0.000000 369.1217 16.89664 ?        ?        0.000000       16.89664 
1 1 1 24  21 12 o 88.64643 39.45580 -27.91784      413.3120 -27.91784      413.3120 0.000000       0.000000 88.64643 39.45580 ?        ?        0.000000       39.45580 
1 1 1 24  21 13 o 283.5069 13.75202 2407.391       227.9729 2407.391       227.9729 0.000000       0.000000 283.5069 13.75202 ?        ?        0.000000       13.75202 
1 1 1 24  21 14 o 222.1344 15.34937 1490.986       198.7368 1490.986       198.7368 0.000000       0.000000 222.1344 15.34937 ?        ?        0.000000       15.34937 
1 1 1 24  21 15 o 45.42463 22.05800 -287.0113      184.7647 -287.0113      184.7647 0.000000       0.000000 45.42463 22.05800 ?        ?        0.000000       22.05800 
1 1 1 24  21 16 o 58.13248 25.56202 -17.02347      168.4431 -17.02347      168.4431 0.000000       0.000000 58.13248 25.56202 ?        ?        0.000000       25.56202 
1 1 1 24  21 17 o 193.6593 17.75124 1156.442       199.3722 1156.442       199.3722 0.000000       0.000000 193.6593 17.75124 ?        ?        0.000000       17.75124 
1 1 1 24  21 18 o 61.84647 26.39363 29.89063       169.0132 84.90261       192.0371 -159.1484      355.9854 69.95693 28.87317 73.85001 34.28214 -3.893082      44.82103 
1 1 1 24  21 19 o 84.08530 28.94226 227.3717       172.7716 213.6476       198.7774 269.7699       349.3789 83.67242 30.79639 96.97916 39.35696 -13.30674      49.97387 
1 1 1 24  21 20 o 72.89958 28.16905 139.7177       170.9537 -38.14204      198.7720 645.1049       335.0647 60.52990 27.12203 129.3451 40.06121 -68.81519      48.37877 
1 1 1 24  21 21 o 66.47741 27.20911 84.15242       168.7069 75.06490       205.8108 102.7656       294.5475 69.98855 29.46247 80.76344 34.66302 -10.77489      45.49244 
1 1 1 24  21 22 o 45.86917 21.82898 -169.3779      161.0056 -205.1526      203.2145 -109.0539      263.8832 51.30982 24.44792 64.58080 29.81646 -13.27097      38.55803 
1 1 1 24  21 23 o 183.0729 15.37829 1034.270       163.5888 1071.344       222.5582 990.7003       241.2722 182.4149 21.19766 172.8753 24.48116 9.539612       32.38314 
1 1 1 24  21 24 o 155.3967 22.80221 794.6935       201.6327 1021.179       325.1260 653.1443       257.0308 165.6995 34.57606 132.7320 33.12593 32.96753       47.88352 
1 1 1 24  21 25 o 80.29292 28.09072 215.0906       163.0648 230.0394       213.3577 194.0943       252.8584 83.91576 31.70180 82.53174 33.48635 1.384026       46.11225 
1 1 1 24  21 26 f 155.5027 18.32928 770.2354       163.9528 947.7342       219.9289 548.1945       245.9807 169.2820 22.72600 119.8603 33.63114 49.42168       40.58971 
1 1 1 24  21 27 o 96.95075 26.95733 334.5038       158.8121 307.5698       208.9200 371.3701       244.4244 91.59731 31.81193 98.41705 34.39459 -6.819740      46.85069 
1 1 1 24  21 28 o 101.5030 26.27629 365.8771       157.6289 229.9282       209.7896 542.1330       238.8734 82.41608 31.36611 118.3060 33.12257 -35.88994      45.61730 
1 1 1 24  21 29 o 110.6577 24.31209 424.8138       153.4619 376.1450       217.5023 473.0602       216.5564 98.72411 32.46603 111.0731 31.68998 -12.34896      45.36847 
1 1 1 24  21 30 o 89.35397 26.56380 287.2451       149.4037 234.4643       225.5411 328.5149       199.4362 82.68132 32.24206 93.12035 31.10491 -10.43903      44.80029 
1 1 1 24  21 31 o 86.02863 29.01727 272.6511       173.5297 -187.7314      295.6236 514.6746       214.3426 61.78930 29.45403 115.7110 30.97330 -53.92166      42.74208 
1 1 1 24  21 32 o 130.9984 23.44825 590.5696       173.5319 299.0981       321.4688 710.4291       206.1470 89.65192 37.21187 141.8976 25.71817 -52.24573      45.23436 
1 1 1 24  21 33 o 49.41682 23.24251 -115.2232      172.6765 -207.6323      272.6514 -53.33469      223.1286 58.19592 27.88863 59.75288 27.52638 -1.556957      39.18517 
1 1 1 24  22 0  o 217.3105 13.76416 1410.994       174.5194 1295.461       181.3543 2857.656       641.7388 207.8287 14.97943 294.0724 38.10448 -86.24367      40.94307 
1 1 1 24  22 1  f 154.3758 16.79433 722.2852       149.6042 737.4788       158.7999 602.3781       446.1102 155.7346 17.70026 133.7587 46.48409 21.97585       49.74002 
1 1 1 24  22 2  o 214.8152 38.63781 1544.086       468.8793 0.000000       0.000000 1544.086       468.8793 ?        ?        214.8152 38.63781 0.000000       38.63781 
1 1 1 24  22 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  22 4  o 170.0046 16.15660 872.6433       159.1532 911.6573       168.7936 560.0683       477.7741 173.5995 16.78820 130.9037 47.81604 42.69579       50.67758 
1 1 1 24  22 5  o 119.3354 22.56650 447.6872       152.1527 447.6872       152.1527 0.000000       0.000000 119.3354 22.56650 ?        ?        0.000000       22.56650 
1 1 1 24  22 6  o 89.35880 24.84794 253.9622       134.9259 306.8656       140.4053 -384.4297      487.7368 97.99854 24.49780 82.37828 38.84314 15.62025       45.92311 
1 1 1 24  22 7  o 176.6467 15.78582 941.6676       161.8180 941.6676       161.8180 0.000000       0.000000 176.6467 15.78582 ?        ?        0.000000       15.78582 
1 1 1 24  22 8  o 305.7153 30.43256 2988.556       538.4008 2988.556       538.4008 0.000000       0.000000 305.7153 30.43256 ?        ?        0.000000       30.43256 
1 1 1 24  22 9  o 196.2478 16.18254 1163.942       184.5988 1163.942       184.5988 0.000000       0.000000 196.2478 16.18254 ?        ?        0.000000       16.18254 
1 1 1 24  22 10 o 154.4504 19.39809 734.8416       171.8449 734.8416       171.8449 0.000000       0.000000 154.4504 19.39809 ?        ?        0.000000       19.39809 
1 1 1 24  22 11 o 184.8326 17.49299 1041.220       187.3675 1041.220       187.3675 0.000000       0.000000 184.8326 17.49299 ?        ?        0.000000       17.49299 
1 1 1 24  22 12 o 246.1596 27.00447 1935.486       383.4622 1935.486       383.4622 0.000000       0.000000 246.1596 27.00447 ?        ?        0.000000       27.00447 
1 1 1 24  22 13 o 155.0397 18.78401 743.3916       167.3185 743.3916       167.3185 0.000000       0.000000 155.0397 18.78401 ?        ?        0.000000       18.78401 
1 1 1 24  22 14 o 98.20132 25.70328 317.3031       149.7294 317.3031       149.7294 0.000000       0.000000 98.20132 25.70328 ?        ?        0.000000       25.70328 
1 1 1 24  22 15 o 101.6339 24.83444 340.0782       146.7487 340.0782       146.7487 0.000000       0.000000 101.6339 24.83444 ?        ?        0.000000       24.83444 
1 1 1 24  22 16 o 126.1697 22.41957 512.4262       159.8167 512.4262       159.8167 0.000000       0.000000 126.1697 22.41957 ?        ?        0.000000       22.41957 
1 1 1 24  22 17 o 153.4987 20.41304 744.8717       179.2139 744.8717       179.2139 0.000000       0.000000 153.4987 20.41304 ?        ?        0.000000       20.41304 
1 1 1 24  22 18 o 74.28604 27.22252 161.3086       155.0471 259.8354       172.7587 -246.6396      351.5323 88.34244 28.92819 69.33829 32.77962 19.00415       43.71892 
1 1 1 24  22 19 f 123.6689 22.76339 498.8139       159.0185 426.7677       178.8181 771.1735       347.6781 111.7985 27.47213 141.1804 40.11213 -29.38190      48.61791 
1 1 1 24  22 20 o 95.69386 27.24399 313.1076       160.2234 324.4883       186.8951 281.5510       311.2144 96.68220 29.91561 94.88681 37.60754 1.795387       48.05487 
1 1 1 24  22 21 o 76.00557 27.80278 176.3118       161.6161 251.3490       195.5491 14.59524       287.0746 86.87089 30.73118 73.89729 32.88746 12.97359       45.01101 
1 1 1 24  22 22 o 65.31638 26.12992 97.84222       151.6167 92.77402       194.7413 105.6423       241.5904 69.54131 28.92199 75.18601 31.79962 -5.644707      42.98485 
1 1 1 24  22 23 o 92.09156 26.84734 295.0829       153.8684 521.6990       202.6165 -13.65562      236.4965 121.3062 28.89468 65.93214 29.56015 55.37402       41.33649 
1 1 1 24  22 24 o 165.7999 17.16162 864.3981       164.4658 1046.126       211.6610 587.4869       261.2765 180.1505 20.39153 123.8323 34.63056 56.31824       40.18818 
1 1 1 24  22 25 o 95.20329 26.78370 319.4156       155.7955 534.1955       197.5191 -34.22368      253.4501 122.7155 28.05733 66.09208 30.02347 56.62337       41.09285 
1 1 1 24  22 26 o 192.4574 14.57300 1146.347       163.2655 1275.982       207.5490 935.9131       264.4331 200.5524 17.83155 162.1570 28.86356 38.39545       33.92742 
1 1 1 24  22 27 o 68.89234 26.20553 141.2261       146.3885 90.34397       192.4439 211.1000       225.5168 67.66759 28.48779 81.15509 32.06137 -13.48750      42.88923 
1 1 1 24  22 28 o 47.81997 21.92908 -59.75017      139.3970 -150.7735      195.6409 34.11174       198.6681 51.54293 24.39285 63.46060 27.83741 -11.91768      37.01260 
1 1 1 24  22 29 o 106.4529 24.04155 393.9395       146.5370 526.6908       213.5069 275.7175       201.4844 118.0656 30.58970 86.69746 31.13700 31.36815       43.64909 
1 1 1 24  22 30 o 71.66176 29.70288 133.5011       204.4174 -101.3756      328.2343 282.3183       261.2705 68.31178 32.10297 87.44255 34.52062 -19.13078      47.14100 
1 1 1 24  22 31 f 57.15154 26.84796 -120.5202      229.1879 -400.9797      409.7926 7.134505       276.4696 65.22380 31.92868 68.75963 31.28297 -3.535828      44.69972 
1 1 1 24  22 32 o 142.9560 23.16137 701.5396       187.5470 225.8592       284.4431 1067.383       249.4512 82.84835 34.74121 174.7412 25.05713 -91.89289      42.83470 
1 1 1 24  23 0  o 112.8945 21.90897 401.0377       139.8260 380.0673       152.9624 507.6361       344.8712 109.0719 24.51110 123.1257 40.89734 -14.05383      47.68004 
1 1 1 24  23 1  o 180.8552 16.20839 988.3027       170.0970 986.8326       182.1529 998.3182       475.4538 180.3040 17.44343 166.1373 46.80683 14.16664       49.95150 
1 1 1 24  23 2  o 146.7772 17.76025 657.7493       149.7771 605.7473       156.3936 1233.612       520.4371 140.1901 19.55304 184.1194 47.78662 -43.92934      51.63219 
1 1 1 24  23 3  o 179.3177 16.08712 971.7010       167.3853 971.7010       167.3853 0.000000       0.000000 179.3177 16.08712 ?        ?        0.000000       16.08712 
1 1 1 24  23 4  o 163.6302 16.83194 812.9214       159.2269 784.0001       167.2145 1094.130       521.4099 160.2362 18.11059 171.8287 49.22097 -11.59247      52.44709 
1 1 1 24  23 5  o 249.6962 25.94643 1957.846       374.4282 1963.683       535.3406 1952.257       523.8881 240.4175 39.32600 240.4056 38.45247 0.1187134E-01  55.00115 
1 1 1 24  23 6  o 69.30212 24.88147 131.1429       128.6473 91.53910       132.9914 707.8206       507.4830 64.36793 24.85254 140.3444 49.51926 -75.97646      55.40583 
1 1 1 24  23 7  o 214.8567 14.33203 1386.352       179.5630 1386.352       179.5630 0.000000       0.000000 214.8567 14.33203 ?        ?        0.000000       14.33203 
1 1 1 24  23 8  o 76.54073 25.57718 176.7207       134.8481 176.7207       134.8481 0.000000       0.000000 76.54073 25.57718 ?        ?        0.000000       25.57718 
1 1 1 24  23 9  o 133.4116 18.97281 551.1194       144.2684 551.1194       144.2684 0.000000       0.000000 133.4116 18.97281 ?        ?        0.000000       18.97281 
1 1 1 24  23 10 o 136.0634 18.11407 571.4474       140.9588 571.4474       140.9588 0.000000       0.000000 136.0634 18.11407 ?        ?        0.000000       18.11407 
1 1 1 24  23 11 o 226.6582 13.44907 1544.038       177.9743 1544.038       177.9743 0.000000       0.000000 226.6582 13.44907 ?        ?        0.000000       13.44907 
1 1 1 24  23 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  23 13 o 111.7076 21.28203 398.9855       134.3373 398.9855       134.3373 0.000000       0.000000 111.7076 21.28203 ?        ?        0.000000       21.28203 
1 1 1 24  23 14 o 156.6066 16.51721 754.5302       149.4218 754.5302       149.4218 0.000000       0.000000 156.6066 16.51721 ?        ?        0.000000       16.51721 
1 1 1 24  23 15 o 162.0044 16.32059 807.5060       152.9536 807.5060       152.9536 0.000000       0.000000 162.0044 16.32059 ?        ?        0.000000       16.32059 
1 1 1 24  23 16 o 73.82237 26.18367 164.4153       142.0362 164.4153       142.0362 0.000000       0.000000 73.82237 26.18367 ?        ?        0.000000       26.18367 
1 1 1 24  23 17 o 125.3539 20.61430 503.0346       146.2869 564.1262       160.5779 204.9200       354.7206 132.4873 21.39496 92.22219 38.74203 40.26514       44.25708 
1 1 1 24  23 18 o 102.1263 24.12538 347.6036       142.1829 336.5260       158.3525 393.6873       322.9800 99.46236 26.62159 104.9465 39.13896 -5.484146      47.33463 
1 1 1 24  23 19 o 76.53128 26.35639 186.4249       143.2844 196.3786       161.2440 149.0606       312.4065 78.78251 27.90234 84.89390 36.04431 -6.111389      45.58215 
1 1 1 24  23 20 o 46.09132 21.65764 -125.5154      149.3012 -82.04949      171.5345 -261.3434      303.2296 52.82903 24.26299 62.38745 29.76453 -9.558418      38.40078 
1 1 1 24  23 21 o 82.88362 27.04893 232.6318       151.1018 283.5512       175.5355 86.96268       296.8976 90.14652 29.13420 78.45615 34.23151 11.69038       44.95106 
1 1 1 24  23 22 o 64.23121 25.34097 101.2823       140.7112 235.8970       176.1181 -136.3124      233.9787 83.49778 29.19471 58.61975 27.40533 24.87803       40.04227 
1 1 1 24  23 23 o 106.3064 24.07109 384.5623       146.5730 392.0771       178.0739 368.7753       258.0996 104.8585 28.30322 99.05398 35.27922 5.804535       45.22937 
1 1 1 24  23 24 o 131.2570 29.30257 618.7997       219.8525 249.8780       351.8098 855.1868       281.6130 90.72168 38.37231 151.7923 32.60682 -61.07062      50.35513 
1 1 1 24  23 25 o 60.61514 27.37503 -27.53725      207.0425 205.5385       358.7779 -143.9098      253.5143 87.48069 37.90433 60.01921 28.20823 27.46148       47.24873 
1 1 1 24  23 26 o 153.7633 16.87388 749.1422       149.6693 651.9116       191.5376 901.6051       239.8473 137.8541 24.59325 160.9720 26.31418 -23.11798      36.01755 
1 1 1 24  23 27 o 55.12725 23.73152 27.99080       138.8507 60.01668       184.4798 -13.86053      210.8885 63.89798 27.42856 61.49066 27.71217 2.407314       38.99090 
1 1 1 24  23 28 o 96.69310 26.52131 336.9221       154.8922 201.5158       201.4677 532.6498       242.2212 78.45047 30.50664 115.7358 33.66878 -37.28529      45.43393 
1 1 1 24  23 29 o 59.08704 26.70813 -19.39114      197.5809 9.658730       216.3799 -165.1183      484.6353 63.21474 28.31350 76.94708 36.95512 -13.73234      46.55465 
1 1 1 24  23 30 o 64.69085 29.00491 16.55030       227.7229 16.55030       227.7229 0.000000       0.000000 64.69085 29.00491 ?        ?        0.000000       29.00491 
1 1 1 24  23 31 o 80.55810 26.92043 233.4819       149.3836 278.2519       218.9512 194.4929       204.3269 85.99941 32.19444 77.01626 30.48907 8.983154       44.34033 
1 1 1 24  24 0  f 49.42159 21.90639 -32.48179      126.0918 -27.34428      132.0709 -85.39951      423.8687 51.11961 22.55032 86.76093 39.17723 -35.64132      45.20368 
1 1 1 24  24 1  f 183.1038 15.95092 1014.583       169.5827 1068.745       182.2184 664.1818       463.4747 187.6757 16.73039 136.2887 47.37915 51.38696       50.24630 
1 1 1 24  24 2  o 208.4482 13.53080 1302.276       164.5201 1330.405       175.0252 1088.831       482.1378 210.4451 14.26546 171.7652 46.66060 38.67987       48.79258 
1 1 1 24  24 3  o 87.29250 26.07433 243.2166       143.6823 243.2166       143.6823 0.000000       0.000000 87.29250 26.07433 ?        ?        0.000000       26.07433 
1 1 1 24  24 4  f 181.4861 15.04931 994.2897       158.7417 1023.223       167.0917 726.3148       508.5175 183.9170 15.63930 140.5136 49.57051 43.40347       51.97906 
1 1 1 24  24 5  o 135.3415 17.37280 562.0532       134.7196 550.3666       140.4222 697.2350       477.5858 133.5472 18.41872 137.9774 48.08712 -4.430145      51.49388 
1 1 1 24  24 6  o 114.0600 20.61138 409.5042       132.8035 429.4246       138.2696 172.3947       477.0376 116.7371 20.96664 102.8894 44.13523 13.84773       48.86225 
1 1 1 24  24 7  o 50.78316 21.58503 11.34534       112.2437 11.34534       112.2437 0.000000       0.000000 50.78316 21.58503 ?        ?        0.000000       21.58503 
1 1 1 24  24 8  f 59.64468 22.99892 79.95992       113.7858 79.95992       113.7858 0.000000       0.000000 59.64468 22.99892 ?        ?        0.000000       22.99892 
1 1 1 24  24 9  o 61.54607 23.20483 93.57038       114.1846 93.57038       114.1846 0.000000       0.000000 61.54607 23.20483 ?        ?        0.000000       23.20483 
1 1 1 24  24 10 o 251.6844 12.67463 1900.786       186.4842 1900.786       186.4842 0.000000       0.000000 251.6844 12.67463 ?        ?        0.000000       12.67463 
1 1 1 24  24 11 o 92.98454 40.63246 109.6732       419.6973 109.6732       419.6973 0.000000       0.000000 92.98454 40.63246 ?        ?        0.000000       40.63246 
1 1 1 24  24 12 o 213.3193 13.38823 1373.936       166.6511 1373.936       166.6511 0.000000       0.000000 213.3193 13.38823 ?        ?        0.000000       13.38823 
1 1 1 24  24 13 o 168.4714 15.66393 869.6739       152.9938 869.6739       152.9938 0.000000       0.000000 168.4714 15.66393 ?        ?        0.000000       15.66393 
1 1 1 24  24 14 o 161.8058 15.25521 802.0108       143.0562 802.0108       143.0562 0.000000       0.000000 161.8058 15.25521 ?        ?        0.000000       15.25521 
1 1 1 24  24 15 o 59.64549 23.41756 79.13383       119.6494 79.13383       119.6494 0.000000       0.000000 59.64549 23.41756 ?        ?        0.000000       23.41756 
1 1 1 24  24 16 o 137.4844 18.30136 594.0677       143.9045 594.0677       143.9045 0.000000       0.000000 137.4844 18.30136 ?        ?        0.000000       18.30136 
1 1 1 24  24 17 o 58.10917 23.51801 63.11049       124.3638 46.43256       134.8215 158.2772       322.0555 57.78400 24.05103 86.37422 36.63163 -28.59022      43.82155 
1 1 1 24  24 18 o 109.1811 21.04580 387.9781       129.8752 409.3343       143.5934 291.9557       304.4796 111.3483 22.75793 94.79896 37.31485 16.54932       43.70723 
1 1 1 24  24 19 o 46.54560 21.21650 -57.49330      127.9298 -75.67288      140.1845 33.05997       312.8673 47.57906 21.88192 76.94659 34.28327 -29.36752      40.67138 
1 1 1 24  24 20 o 150.9288 16.72593 713.4452       145.5694 665.8662       164.7663 882.6805       310.7466 143.7986 20.08437 152.8653 35.36451 -9.066666      40.66978 
1 1 1 24  24 21 o 81.69052 25.06236 226.8784       131.5112 234.1789       150.7536 203.6315       269.0129 82.78132 27.01789 84.28298 34.41130 -1.501663      43.75047 
1 1 1 24  24 22 o 139.7464 16.77573 615.1855       134.7452 620.7584       160.8072 602.0495       246.8865 138.1656 20.46297 126.5461 32.94793 11.61942       38.78529 
1 1 1 24  24 23 o 78.59212 25.77505 209.9371       137.1273 183.4368       160.3439 282.0901       264.5786 75.57693 27.68556 89.97469 34.96770 -14.39775      44.60079 
1 1 1 24  24 24 o 69.80779 25.61672 151.8590       137.3690 232.3067       165.2939 -27.75466      246.9846 81.79117 28.30206 65.23883 29.63672 16.55234       40.97977 
1 1 1 24  24 25 o 74.44299 26.01837 185.3144       139.8717 373.3029       176.6212 -130.8960      229.0685 100.9633 28.55724 57.30983 26.89658 43.65349       39.22935 
1 1 1 24  24 26 o 90.89497 25.30428 292.7617       139.8396 195.9133       183.5047 426.9004       215.9623 77.19531 29.34577 104.9487 32.10126 -27.75343      43.49327 
1 1 1 24  24 27 o 81.01448 26.70277 232.3159       147.1049 378.0522       183.2180 -32.05882      246.7710 100.5315 29.29282 64.23012 29.34984 36.30141       41.46664 
1 1 1 24  24 28 o 63.49771 26.14677 92.05029       156.9997 96.37067       191.6881 83.24590       273.6424 67.27405 28.38296 73.09972 32.34314 -5.825668      43.03105 
1 1 1 24  24 29 o 102.9831 25.53928 380.5182       153.4903 304.3885       205.0468 477.5466       231.4862 89.19172 31.47620 108.8122 33.22572 -19.62050      45.76789 
1 1 1 24  24 30 o 47.11449 21.56171 -50.89800      133.8524 -58.73908      202.3521 -44.79792      178.4793 56.96455 26.23162 54.63199 24.96264 2.332561       36.21093 
1 1 1 24  25 0  o 81.85720 24.22499 213.9420       124.4799 260.2446       133.8254 -83.27105      339.0545 89.67879 24.67351 77.29453 34.95784 12.38427       42.78823 
1 1 1 24  25 1  o 109.7605 21.59021 383.0174       134.0266 433.3715       140.9019 -95.51205      434.3640 117.0269 21.31463 86.16980 39.20679 30.85712       44.62607 
1 1 1 24  25 2  o 56.02688 22.71336 49.42629       116.2217 74.13454       121.3668 -223.5965      403.4393 60.03659 23.58083 77.79077 36.24128 -17.75418      43.23756 
1 1 1 24  25 3  o 155.9588 16.61241 743.6936       149.6115 743.6936       149.6115 0.000000       0.000000 155.9588 16.61241 ?        ?        0.000000       16.61241 
1 1 1 24  25 4  o 44.43002 19.82364 -33.56263      104.9926 -39.31805      107.7901 73.01787       463.8519 44.52944 19.96106 95.79142 42.25844 -51.26198      46.73564 
1 1 1 24  25 5  o 48.40506 20.72996 4.850818       104.9234 -4.175699      108.0188 155.6063       441.4444 48.07113 20.81349 98.11649 42.27689 -50.04536      47.12257 
1 1 1 24  25 6  o 134.2779 15.61815 551.7387       120.7016 590.0219       125.4045 69.84965       444.9211 138.8939 15.66811 93.59149 41.33323 45.30241       44.20324 
1 1 1 24  25 7  o 117.3385 19.13253 432.3811       127.1304 432.3811       127.1304 0.000000       0.000000 117.3385 19.13253 ?        ?        0.000000       19.13253 
1 1 1 24  25 8  o 183.1058 13.36612 1012.187       142.5464 1012.187       142.5464 0.000000       0.000000 183.1058 13.36612 ?        ?        0.000000       13.36612 
1 1 1 24  25 9  o 162.4563 15.22244 805.8047       143.3452 805.8047       143.3452 0.000000       0.000000 162.4563 15.22244 ?        ?        0.000000       15.22244 
1 1 1 24  25 10 o 214.3805 13.23324 1387.636       165.5693 1387.636       165.5693 0.000000       0.000000 214.3805 13.23324 ?        ?        0.000000       13.23324 
1 1 1 24  25 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 24  25 12 o 207.6217 12.65052 1300.692       153.3082 1300.692       153.3082 0.000000       0.000000 207.6217 12.65052 ?        ?        0.000000       12.65052 
1 1 1 24  25 13 o 168.0782 13.59422 858.6874       132.8609 858.6874       132.8609 0.000000       0.000000 168.0782 13.59422 ?        ?        0.000000       13.59422 
1 1 1 24  25 14 o 117.6776 18.30367 437.4683       122.2180 437.4683       122.2180 0.000000       0.000000 117.6776 18.30367 ?        ?        0.000000       18.30367 
1 1 1 24  25 15 o 89.31680 23.16319 265.0061       122.3435 265.0061       122.3435 0.000000       0.000000 89.31680 23.16319 ?        ?        0.000000       23.16319 
1 1 1 24  25 16 o 50.68114 21.82954 8.575114       117.6103 8.575114       117.6103 0.000000       0.000000 50.68114 21.82954 ?        ?        0.000000       21.82954 
1 1 1 24  25 17 o 119.8793 18.03350 455.4404       122.8634 490.0993       132.9661 253.0128       321.3426 124.0125 18.87683 92.01979 37.59458 31.99270       42.06765 
1 1 1 24  25 18 f 147.2391 15.13111 670.9923       128.8031 740.5339       142.1490 351.9441       304.4737 154.3166 15.93549 98.71452 37.73417 55.60206       40.96104 
1 1 1 24  25 19 o 87.92680 22.93353 260.8094       119.4738 245.4531       129.4738 348.8590       310.0287 84.85104 24.59576 97.87797 37.90373 -13.02693      45.18456 
1 1 1 24  25 20 o 55.01219 22.41139 55.98960       113.8038 9.446774       122.4802 350.0215       307.8482 51.22616 22.17127 97.56319 37.77337 -46.33704      43.79945 
1 1 1 24  25 21 o 113.9523 18.35943 417.5045       118.5284 449.4400       134.2324 304.4739       252.5336 117.2552 20.25175 92.04771 34.55109 25.20752       40.04887 
1 1 1 24  25 22 o 88.27219 23.02298 265.9533       120.4098 186.2813       136.7800 540.3146       253.8230 74.87865 25.75262 117.5354 34.54228 -42.65676      43.08557 
1 1 1 24  25 23 o 82.55772 24.81450 236.6578       129.8279 210.2820       153.1357 304.0655       244.8095 78.46744 27.23659 90.87643 34.03790 -12.40900      43.59370 
1 1 1 24  25 24 o 84.82825 24.59206 251.4922       129.4278 350.0952       156.8317 40.93384       229.1791 98.90441 26.50289 67.30189 29.69644 31.60252       39.80303 
1 1 1 24  25 25 o 111.0693 20.05143 408.4924       125.8088 465.5447       157.5374 308.0474       209.0311 116.0774 23.93657 90.47190 31.79291 25.60547       39.79634 
1 1 1 24  25 26 o 185.2636 13.00639 1056.661       140.4201 1266.888       181.0057 738.9045       222.5334 201.0001 15.47388 143.6355 27.41679 57.36455       31.48208 
1 1 1 24  25 27 o 55.34302 23.00966 54.79934       123.2041 109.0759       162.0711 -19.50544      189.6303 65.71941 26.75565 57.99627 26.19487 7.723145       37.44377 
1 1 1 24  25 28 o 54.85163 22.71589 55.91657       119.4170 147.0888       166.1856 -41.42062      171.7124 70.01457 27.56505 53.93391 24.58276 16.08067       36.93432 
1 1 1 24  25 29 o 69.64176 24.53618 162.1574       124.5563 233.3816       180.3825 97.24796       172.2006 80.53960 29.38653 65.23321 27.16887 15.30640       40.02143 
1 1 1 24  26 0  o 250.6847 26.31803 2028.684       381.1667 1726.107       500.8346 2445.188       587.6053 218.1097 40.64846 261.5744 39.53615 -43.46474      56.70454 
1 1 1 24  26 1  o 68.87431 22.97256 144.3290       108.7906 156.7779       112.5624 -32.14251      423.8037 71.23566 23.35199 86.60679 39.13465 -15.37112      45.57232 
1 1 1 24  26 2  o 183.4816 13.66871 1017.313       146.0290 966.1703       153.5008 1504.612       473.8249 178.3277 14.81069 202.3950 41.31734 -24.06737      43.89167 
1 1 1 24  26 3  o 49.18855 21.10231 5.435425       109.0779 5.435425       109.0779 0.000000       0.000000 49.18855 21.10231 ?        ?        0.000000       21.10231 
1 1 1 24  26 4  o 91.13940 21.09904 268.0523       110.5481 305.1441       114.4661 -246.1156      426.1773 97.50768 20.65958 77.76180 36.55541 19.74587       41.98948 
1 1 1 24  26 5  o 39.94919 18.65275 -91.63099      107.8237 -48.38366      111.4648 -721.3364      425.3310 44.31749 20.04352 63.85420 31.50701 -19.53671      37.34212 
1 1 1 24  26 6  o 57.40223 22.01675 77.48869       103.8884 91.90936       106.9375 -164.6276      438.1768 59.98616 22.49053 81.43398 37.88152 -21.44782      44.05489 
1 1 1 24  26 7  o 92.70974 22.46759 281.0843       120.8682 281.0843       120.8682 0.000000       0.000000 92.70974 22.46759 ?        ?        0.000000       22.46759 
1 1 1 24  26 8  o 56.24971 22.64396 57.92592       114.6115 57.92592       114.6115 0.000000       0.000000 56.24971 22.64396 ?        ?        0.000000       22.64396 
1 1 1 24  26 9  o 187.1902 13.66455 1063.168       148.9797 1063.168       148.9797 0.000000       0.000000 187.1902 13.66455 ?        ?        0.000000       13.66455 
1 1 1 24  26 10 o 193.7010 12.98514 1135.269       146.6605 1135.269       146.6605 0.000000       0.000000 193.7010 12.98514 ?        ?        0.000000       12.98514 
1 1 1 24  26 11 o 149.6277 44.42488 916.0862       418.0776 916.0862       418.0776 0.000000       0.000000 149.6277 44.42488 ?        ?        0.000000       44.42488 
1 1 1 24  26 12 o 169.3160 13.73190 873.1750       135.1882 873.1750       135.1882 0.000000       0.000000 169.3160 13.73190 ?        ?        0.000000       13.73190 
1 1 1 24  26 13 o 103.1308 20.17944 343.6221       117.6803 343.6221       117.6803 0.000000       0.000000 103.1308 20.17944 ?        ?        0.000000       20.17944 
1 1 1 24  26 14 o 46.79453 20.52354 -10.29085      107.9502 -10.29085      107.9502 0.000000       0.000000 46.79453 20.52354 ?        ?        0.000000       20.52354 
1 1 1 24  26 15 o 189.1591 13.94171 1093.353       153.5788 1093.353       153.5788 0.000000       0.000000 189.1591 13.94171 ?        ?        0.000000       13.94171 
1 1 1 24  26 16 o 60.58944 23.18512 94.63927       115.0272 94.63927       115.0272 0.000000       0.000000 60.58944 23.18512 ?        ?        0.000000       23.18512 
1 1 1 24  26 17 o 56.41735 21.93651 76.25810       104.1640 137.1944       110.4413 -414.5271      313.4291 66.48827 23.12726 57.78432 28.20877 8.703949       36.47746 
1 1 1 24  26 18 o 109.9181 18.27690 387.6620       113.6850 414.1490       121.9079 210.9547       314.8784 113.3015 19.01945 87.11347 36.54267 26.18803       41.19595 
1 1 1 24  26 19 o 114.5148 17.91481 419.5172       116.3757 456.9899       124.8739 171.9748       320.9511 119.3293 18.43684 84.46861 36.21699 34.86073       40.63972 
1 1 1 24  26 20 o 147.3782 14.09376 671.2745       120.3356 626.3958       130.8786 916.6426       306.0254 141.2512 16.08512 154.9637 34.55378 -13.71252      38.11423 
1 1 1 24  26 21 o 37.08382 17.56458 -102.4632      101.8406 -143.2193      113.0769 72.57822       234.3409 37.07613 17.81789 70.46929 30.58309 -33.39316      35.39495 
1 1 1 24  26 22 o 152.0078 13.68493 714.1688       120.6950 782.0861       139.9121 516.6149       238.6204 158.1509 15.27442 114.9861 33.40799 43.16479       36.73421 
1 1 1 24  26 23 o 125.4956 16.15366 499.3300       116.1369 595.7210       134.6578 219.4341       229.4623 136.5679 17.19266 81.60101 32.30813 54.96690       36.59785 
1 1 1 24  26 24 o 53.40885 24.50160 -59.99705      174.2521 -144.7341      326.1844 -26.15705      206.1303 66.76195 31.56586 59.94724 27.17022 6.814705       41.64882 
1 1 1 24  26 25 o 49.21049 22.93207 -93.45598      161.6944 -613.4055      367.0847 31.71302       180.1085 56.73126 28.21432 60.75654 26.58205 -4.025280      38.76408 
1 1 1 24  26 26 o 91.58856 19.50515 280.3432       101.5580 311.6696       131.1246 233.3782       160.5521 94.15532 23.75172 80.62965 27.89350 13.52567       36.63593 
1 1 1 24  26 27 o 207.4110 9.757627 1298.800       118.3606 1113.879       166.7663 1486.500       168.0152 188.1927 15.23995 219.4281 13.11572 -31.23543      20.10667 
1 1 1 24  26 28 o 93.74703 19.26621 293.3876       102.3829 301.3636       142.4217 284.8579       147.2831 91.23987 25.58691 88.29128 26.40527 2.948593       36.76857 
1 1 1 24  27 0  o 161.9155 14.84906 800.9838       139.4375 838.1398       148.4872 523.7328       405.6126 165.3680 15.49073 117.7580 43.87186 47.61002       46.52637 
1 1 1 24  27 1  o 139.0044 16.14117 596.3791       129.1434 617.6714       134.7070 354.4693       454.0511 141.3078 16.56882 106.9956 44.30097 34.31222       47.29801 
1 1 1 24  27 2  o 164.0121 14.25840 819.3965       135.7888 839.3983       141.7694 597.2205       472.4956 165.8093 14.73205 123.0089 47.01009 42.80041       49.26441 
1 1 1 24  27 3  o 86.43710 22.44801 245.0119       114.7969 245.0119       114.7969 0.000000       0.000000 86.43710 22.44801 ?        ?        0.000000       22.44801 
1 1 1 24  27 4  o 66.49071 22.46560 134.8677       104.0155 107.9286       106.7221 645.8588       464.8033 62.26307 22.62073 126.1248 46.96887 -63.86176      52.13226 
1 1 1 24  27 5  o 112.4164 17.11918 395.5617       109.3075 365.2997       112.2744 945.5624       478.6450 107.3990 18.49212 148.9101 48.10770 -41.51113      51.53939 
1 1 1 24  27 6  o 140.5401 15.04556 606.7322       122.0832 611.1252       127.0759 554.0984       439.8587 140.7948 15.65388 118.9990 45.38678 21.79583       48.01045 
1 1 1 24  27 7  o 150.5085 14.53768 693.4332       126.7283 696.4694       131.7603 655.9448       462.9858 150.5839 15.12411 125.8285 46.87336 24.75538       49.25292 
1 1 1 24  27 8  o 98.83773 20.52328 316.4892       115.0697 316.4892       115.0697 0.000000       0.000000 98.83773 20.52328 ?        ?        0.000000       20.52328 
1 1 1 24  27 9  o 123.9190 17.20156 480.9544       121.6468 480.9544       121.6468 0.000000       0.000000 123.9190 17.20156 ?        ?        0.000000       17.20156 
1 1 1 24  27 10 o 151.7973 14.98060 708.5137       131.6289 708.5137       131.6289 0.000000       0.000000 151.7973 14.98060 ?        ?        0.000000       14.98060 
1 1 1 24  27 11 f 129.9274 16.61204 526.7430       123.6909 526.7430       123.6909 0.000000       0.000000 129.9274 16.61204 ?        ?        0.000000       16.61204 
1 1 1 24  27 12 o 106.5175 42.71429 415.6381       406.1500 415.6381       406.1500 0.000000       0.000000 106.5175 42.71429 ?        ?        0.000000       42.71429 
1 1 1 24  27 13 o 46.26794 20.59842 -24.67389      112.7173 -24.67389      112.7173 0.000000       0.000000 46.26794 20.59842 ?        ?        0.000000       20.59842 
1 1 1 24  27 14 o 71.06588 23.03814 163.6222       109.7117 163.6222       109.7117 0.000000       0.000000 71.06588 23.03814 ?        ?        0.000000       23.03814 
1 1 1 24  27 15 o 123.6601 17.02696 482.9176       120.2114 482.9176       120.2114 0.000000       0.000000 123.6601 17.02696 ?        ?        0.000000       17.02696 
1 1 1 24  27 16 o 51.67214 20.80232 51.49900       96.73238 72.05082       101.0720 -172.5314      333.7024 55.27892 21.57581 68.17070 32.13947 -12.89178      38.70996 
1 1 1 24  27 17 o 116.2669 16.07837 425.4919       106.7036 454.0026       113.2513 200.0973       318.4281 119.9259 16.54213 86.22870 36.49082 33.69723       40.06522 
1 1 1 24  27 18 o 156.9896 12.80735 754.3134       116.8944 740.9007       124.9999 847.7883       329.9894 155.0100 13.89721 144.5292 38.31522 10.48077       40.75768 
1 1 1 24  27 19 o 156.1100 12.90195 747.2128       117.0698 728.5263       126.6668 856.7003       306.6059 153.4130 14.24087 147.8357 35.75737 5.577240       38.48886 
1 1 1 24  27 20 o 57.46798 21.21992 93.92359       94.50333 101.7479       102.2526 48.09370       247.4720 59.53289 22.05640 69.80067 30.82633 -10.26778      37.90445 
1 1 1 24  27 21 o 117.7098 15.65893 437.6486       105.4209 453.3853       117.2149 371.0430       241.1466 118.9310 17.31279 97.44206 34.15530 21.48895       38.29253 
1 1 1 24  27 22 o 140.5717 13.12683 610.3630       106.9689 639.4823       120.9257 505.6076       229.3590 143.0626 14.61782 113.6200 32.67609 29.44265       35.79675 
1 1 1 24  27 23 o 46.84662 19.49590 30.80060       88.57080 36.81205       98.94378 6.555608       198.7055 49.51902 20.60683 61.15604 27.27995 -11.63702      34.18826 
1 1 1 24  27 24 o 72.49889 27.21911 170.7007       156.7449 137.1230       330.1817 180.4694       178.0919 79.91401 35.43424 74.69788 28.78102 5.216125       45.65011 
1 1 1 24  27 25 o 33.76348 16.87280 -332.0686      138.1583 -732.3907      378.3211 -270.4652      148.4083 54.97369 27.53834 37.90648 18.68624 17.06721       33.27966 
1 1 1 24  27 26 o 159.3919 10.54619 772.1779       98.03098 915.0211       126.9246 560.9814       154.3333 172.2685 12.65112 129.1268 21.10805 43.14165       24.60896 
1 1 1 24  27 27 o 37.99246 17.15011 -28.00161      81.15025 -14.96536      96.59974 -59.26300      149.5904 42.89453 19.08444 49.13167 22.59895 -6.237141      29.57919 
1 1 1 24  28 0  o 106.9474 19.48723 366.3140       117.7262 433.5808       123.0672 -358.5793      403.9977 116.9934 18.55474 70.29041 33.75365 46.70302       38.51737 
1 1 1 24  28 1  o 229.3821 11.91088 1584.672       159.6849 1503.803       169.9176 2196.073       467.2093 222.8454 13.05844 250.7097 32.54243 -27.86426      35.06469 
1 1 1 24  28 2  o 201.0235 12.70443 1222.594       149.0134 1281.202       157.5092 722.8636       459.9347 205.5883 13.13208 130.1343 47.00444 75.45404       48.80440 
1 1 1 24  28 3  o 55.48473 21.86313 65.94277       104.6228 66.05475       107.2209 63.71577       478.1538 55.90087 22.09999 91.63126 41.47084 -35.73039      46.99192 
1 1 1 24  28 4  o 214.7211 12.41148 1392.908       155.6302 1433.124       164.1153 1033.884       490.3573 217.5421 12.92160 153.0183 48.61809 64.52377       50.30593 
1 1 1 24  28 5  o 64.80603 22.29524 127.3835       102.5214 104.5130       105.1149 573.7756       464.3923 61.27220 22.42078 118.6572 46.26672 -57.38495      51.41304 
1 1 1 24  28 6  o 124.0164 38.89737 597.2397       314.8125 1354.184       460.3011 -67.99284      431.5159 183.6656 43.42194 82.64779 38.14735 101.0178       57.79866 
1 1 1 24  28 7  o 129.5914 16.05033 522.0810       119.3809 526.4626       123.7777 463.6717       451.9241 129.8773 16.63137 110.9054 44.85126 18.97188       47.83553 
1 1 1 24  28 8  o 131.0025 16.80027 536.5040       126.1089 536.5040       126.1089 0.000000       0.000000 131.0025 16.80027 ?        ?        0.000000       16.80027 
1 1 1 24  28 9  o 86.43654 22.23656 248.0342       113.3662 248.0342       113.3662 0.000000       0.000000 86.43654 22.23656 ?        ?        0.000000       22.23656 
1 1 1 24  28 10 o 94.25892 20.82296 291.5714       112.0366 291.5714       112.0366 0.000000       0.000000 94.25892 20.82296 ?        ?        0.000000       20.82296 
1 1 1 24  28 11 o 210.8556 12.75760 1350.447       157.0248 1350.447       157.0248 0.000000       0.000000 210.8556 12.75760 ?        ?        0.000000       12.75760 
1 1 1 24  28 12 o 143.7868 15.25376 641.3743       126.6713 641.3743       126.6713 0.000000       0.000000 143.7868 15.25376 ?        ?        0.000000       15.25376 
1 1 1 24  28 13 o 118.7638 17.91476 449.6866       120.9022 449.6866       120.9022 0.000000       0.000000 118.7638 17.91476 ?        ?        0.000000       17.91476 
1 1 1 24  28 14 f 122.3569 16.28112 471.1333       113.9355 471.1333       113.9355 0.000000       0.000000 122.3569 16.28112 ?        ?        0.000000       16.28112 
1 1 1 24  28 15 o 128.5515 14.67641 513.4663       108.6688 513.4663       108.6688 0.000000       0.000000 128.5515 14.67641 ?        ?        0.000000       14.67641 
1 1 1 24  28 16 o 103.7826 17.25876 344.5681       101.3594 414.5364       106.1316 -381.3942      341.8621 114.5307 16.25674 61.30966 29.82484 53.22101       33.96767 
1 1 1 24  28 17 o 82.83452 20.00968 227.9994       96.10802 267.6830       101.2969 -129.8494      304.1869 90.01372 19.73359 66.29980 31.07704 23.71392       36.81300 
1 1 1 24  28 18 o 62.87030 21.31136 125.4075       93.60544 137.3927       99.29819 29.78009       280.4860 65.31588 21.94995 71.68688 32.16213 -6.371002      38.93845 
1 1 1 24  28 19 o 59.27436 21.05766 106.5652       91.89963 149.4086       97.49701 -234.7488      275.1861 67.31376 21.70918 58.34234 27.97447 8.971420       35.40988 
1 1 1 24  28 20 o 152.8360 12.03627 714.8445       107.0166 741.2297       119.5670 608.5828       239.9496 154.9516 13.28533 125.5583 32.37665 29.39333       34.99639 
1 1 1 24  28 21 o 63.85624 19.93140 134.1491       82.76168 157.4102       90.15737 9.563871       208.6506 68.56843 20.69396 62.52131 27.91721 6.047119       34.75069 
1 1 1 24  28 22 o 85.80214 17.27709 240.1642       83.92912 266.4136       92.64657 120.0412       198.1901 90.03640 18.17242 70.03938 29.15695 19.99702       34.35643 
1 1 1 24  28 23 o 116.4581 12.89204 420.6896       86.57970 397.5569       99.53803 492.5886       175.4837 111.7976 15.60588 117.1101 26.20577 -5.312546      30.50059 
1 1 1 24  28 24 o 45.43502 21.03267 -70.17503      132.5892 113.9231       385.0455 -94.94106      141.2262 80.74320 36.80591 45.34333 21.22862 35.39987       42.48917 
1 1 1 24  28 25 o 29.93616 14.96722 -272.2315      109.2920 -518.5726      428.6709 -255.1055      113.0273 63.45324 31.36856 31.40059 15.62305 32.05265       35.04377 
1 1 1 24  28 26 o 41.29155 17.00547 25.45891       66.42466 61.59298       79.80688 -56.01269      119.8354 49.66858 19.23190 43.96503 20.22407 5.703548       27.90841 
1 1 1 24  29 0  o 229.0953 38.09800 1971.684       493.9106 1971.684       493.9106 0.000000       0.000000 229.0953 38.09800 ?        ?        0.000000       38.09800 
1 1 1 24  29 1  o 40.63485 18.53574 -50.24743      97.87145 -20.18727      100.8816 -531.5247      403.6586 44.21228 19.59604 64.74114 31.69165 -20.52886      37.26078 
1 1 1 24  29 2  o 206.0598 12.78838 1287.806       153.7849 1262.988       163.4548 1479.137       453.8432 203.5201 13.77548 194.2827 41.11514 9.237396       43.36148 
1 1 1 24  29 3  o 145.5319 14.66166 651.9042       123.4349 624.0869       127.8013 1038.256       476.2863 141.9222 15.61199 152.4863 47.84656 -10.56404      50.32919 
1 1 1 24  29 4  o 88.31775 21.32976 257.3064       109.2248 226.8541       112.5643 747.8159       451.7666 82.58350 22.59192 130.0797 46.63567 -47.49622      51.81969 
1 1 1 24  29 5  o 55.17668 21.59661 68.73236       101.5012 55.71114       104.3240 299.6299       439.3069 53.79852 21.62244 99.66419 42.54308 -45.86567      47.72256 
1 1 1 24  29 6  o 88.55138 21.25413 259.0476       108.9744 259.9649       112.8410 246.3470       419.8860 88.48019 21.87165 95.65963 41.22507 -7.179443      46.66771 
1 1 1 24  29 7  o 148.2036 15.34407 680.3596       131.4405 781.6187       138.1989 -279.6139      425.5175 159.1309 14.98449 73.48672 35.11459 85.64417       38.17813 
1 1 1 24  29 8  o 97.10410 21.56723 312.3026       119.6279 312.3026       119.6279 0.000000       0.000000 97.10410 21.56723 ?        ?        0.000000       21.56723 
1 1 1 24  29 9  o 67.69745 22.84941 145.3118       107.5996 145.3118       107.5996 0.000000       0.000000 67.69745 22.84941 ?        ?        0.000000       22.84941 
1 1 1 24  29 10 o 120.0605 17.02133 456.1159       116.4957 456.1159       116.4957 0.000000       0.000000 120.0605 17.02133 ?        ?        0.000000       17.02133 
1 1 1 24  29 11 o 92.86346 20.45014 284.9695       108.3585 284.9695       108.3585 0.000000       0.000000 92.86346 20.45014 ?        ?        0.000000       20.45014 
1 1 1 24  29 12 o 217.4292 12.34129 1437.788       156.7264 1437.788       156.7264 0.000000       0.000000 217.4292 12.34129 ?        ?        0.000000       12.34129 
1 1 1 24  29 13 o 85.09544 19.82992 239.2648       97.12377 239.2648       97.12377 0.000000       0.000000 85.09544 19.82992 ?        ?        0.000000       19.82992 
1 1 1 24  29 14 o 142.7344 13.62309 628.2258       112.6576 628.2258       112.6576 0.000000       0.000000 142.7344 13.62309 ?        ?        0.000000       13.62309 
1 1 1 24  29 15 o 129.1869 14.41210 519.0498       107.3357 519.0498       107.3357 0.000000       0.000000 129.1869 14.41210 ?        ?        0.000000       14.41210 
1 1 1 24  29 16 o 145.3706 12.85213 649.4547       108.4451 714.6954       115.1559 138.1369       322.3832 152.4635 13.00260 81.04195 35.50777 71.42151       37.81361 
1 1 1 24  29 17 o 128.5692 13.29959 511.2060       98.83647 535.5825       105.4420 334.7347       283.7038 131.3188 13.90189 93.50681 36.24572 37.81200       38.82029 
1 1 1 24  29 18 o 74.05051 19.38858 182.8750       85.17768 149.0822       89.73935 490.1450       270.6020 67.03688 20.72734 108.7791 36.22966 -41.74218      41.73980 
1 1 1 24  29 19 o 72.59390 19.03077 175.7019       81.99642 178.4754       87.23689 154.6760       240.1967 72.91244 19.86498 76.08882 31.91704 -3.176384      37.59408 
1 1 1 24  29 20 o 94.48546 15.28811 284.1951       81.82477 299.3167       88.74281 198.3949       211.3870 96.54771 16.24904 78.20876 30.99538 18.33895       34.99636 
1 1 1 24  29 21 o 87.51851 15.25685 244.7646       75.46420 255.4560       81.66278 182.2511       197.4666 88.98997 16.24547 75.75515 29.97823 13.23483       34.09706 
1 1 1 24  29 22 o 113.5862 11.45336 396.1830       75.25644 313.9827       85.36622 682.8729       159.4247 99.33166 15.13098 144.1202 19.35016 -44.78851      24.56370 
1 1 1 24  29 23 o 70.14929 15.38688 159.5122       61.55782 141.9738       72.48562 204.8832       116.5858 65.34394 18.22820 76.46568 23.62217 -11.12173      29.83747 
1 1 1 24  29 24 o 47.36786 20.25644 20.02265       99.92093 -54.09340      438.7520 24.07695       102.6175 76.66473 36.35457 48.32806 20.59344 28.33667       41.78210 
1 1 1 24  29 25 o 52.49619 20.52886 69.20460       91.64411 108.4688       445.7355 67.47156       93.64477 82.21346 38.23149 52.50700 20.68599 29.70645       43.46904 
1 1 1 24  30 0  o 60.19916 23.32571 90.52258       117.4611 12.85911       424.3120 96.96813       122.2382 83.73258 38.34597 61.64449 23.81978 22.08809       45.14195 
1 1 1 24  30 1  o 36.60852 17.67567 -160.3715      114.4037 -110.0904      438.4053 -164.0457      118.5099 79.86581 37.39487 37.32708 18.01456 42.53873       41.50784 
1 1 1 24  30 2  o 82.15604 23.72790 227.7901       120.7004 367.9604       435.4377 216.1235       125.6230 102.0419 42.89919 80.08730 24.48057 21.95460       49.39270 
1 1 1 24  30 3  o 148.1063 14.70274 677.9106       126.0250 -189.7876      424.2232 761.8989       131.9834 75.84987 35.90310 157.2026 14.47811 -81.35274      38.71238 
1 1 1 24  30 4  o 85.46106 21.17344 242.7876       105.5737 -193.2300      425.6503 271.3690       108.9790 75.72298 35.87855 90.51481 20.94480 -14.79183      41.54462 
1 1 1 24  30 5  o 151.6665 13.00609 703.5029       114.5718 412.9423       419.6818 726.9014       119.0957 103.8784 42.75927 154.0344 13.31398 -50.15604      44.78412 
1 1 1 24  30 6  o 132.2973 14.32295 541.5552       109.3604 233.7183       388.5167 568.0446       113.9686 91.82644 39.61476 135.3994 14.58180 -43.57293      42.21324 
1 1 1 24  30 7  o 100.9520 36.47803 391.9692       277.0344 165.4596       391.3635 619.4592       392.2095 87.93147 38.80258 118.3662 43.30954 -30.43475      58.14943 
1 1 1 24  30 8  o 68.07605 33.03921 -385.4003      413.0134 -385.4003      413.0134 0.000000       0.000000 68.07605 33.03921 ?        ?        0.000000       33.03921 
1 1 1 24  30 9  o 111.8305 43.82104 551.5422       418.2906 551.5422       418.2906 0.000000       0.000000 111.8305 43.82104 ?        ?        0.000000       43.82104 
1 1 1 24  30 10 o 109.6548 42.77021 519.9879       396.9558 519.9879       396.9558 0.000000       0.000000 109.6548 42.77021 ?        ?        0.000000       42.77021 
1 1 1 24  30 11 o 95.66225 40.61899 316.0384       396.7830 316.0384       396.7830 0.000000       0.000000 95.66225 40.61899 ?        ?        0.000000       40.61899 
1 1 1 24  30 12 o 145.2437 43.21277 945.7601       395.2495 945.7601       395.2495 0.000000       0.000000 145.2437 43.21277 ?        ?        0.000000       43.21277 
1 1 1 24  30 13 o 251.1554 25.95629 2165.434       376.8251 2165.434       376.8251 0.000000       0.000000 251.1554 25.95629 ?        ?        0.000000       25.95629 
1 1 1 24  30 14 o 66.04298 31.24954 -162.4739      320.8187 -162.4739      320.8187 0.000000       0.000000 66.04298 31.24954 ?        ?        0.000000       31.24954 
1 1 1 24  30 15 o 101.2756 38.67739 429.1991       319.6931 429.1991       319.6931 0.000000       0.000000 101.2756 38.67739 ?        ?        0.000000       38.67739 
1 1 1 24  30 16 o 107.1401 32.44123 448.5395       221.3118 704.7550       318.4344 209.1500       307.8008 127.4279 38.98069 83.93601 35.71281 43.49187       52.86681 
1 1 1 24  30 17 o 144.5689 26.04815 736.9551       212.7304 555.7287       343.2125 850.0127       271.0829 110.3106 40.48929 149.3401 31.91909 -39.02950      51.55784 
1 1 1 24  30 18 o 88.03021 31.15400 291.4986       200.9840 25.45091       340.6494 433.5641       248.9270 74.83517 34.30379 102.8245 34.75398 -27.98934      48.83225 
1 1 1 24  30 19 o 51.11327 19.54398 67.49675       81.69376 -585.3648      352.7351 104.5004       83.97701 55.75504 27.71691 57.95855 20.16648 -2.203510      34.27702 
1 1 1 24  30 20 o 109.6675 12.18695 371.6832       77.06120 552.0285       367.4795 363.3878       78.81360 107.3968 41.35255 108.2101 12.65777 -0.8133545     43.24641 
1 1 1 24  30 21 f 120.0882 10.11518 438.5106       70.57840 568.6154       418.8187 434.7079       71.60241 105.9351 43.05431 119.4769 10.31970 -13.54179      44.27380 
1 1 1 24  30 22 o 61.12353 21.91366 117.4547       99.74867 26.89741       435.1651 122.4766       102.4772 79.14259 37.12035 62.13395 22.21889 17.00864       43.26198 
1 1 1 24  30 23 o 79.43935 37.23227 37.58389       436.4305 37.58389       436.4305 0.000000       0.000000 79.43935 37.23227 ?        ?        0.000000       37.23227 
1 1 1 24  31 0  o 51.69354 22.65504 0.2947945      131.3144 -304.3085      406.6996 35.74553       138.7455 69.66278 33.55799 56.32545 23.97161 13.33733       41.24047 
1 1 1 24  31 1  o 53.88885 22.90643 30.65682       126.4199 -98.00108      403.1679 44.68641       133.1344 76.37479 35.79254 56.41499 23.71931 19.95980       42.93846 
1 1 1 24  31 2  o 51.77796 22.37557 13.59196       124.3651 -899.7722      401.1547 110.7105       130.8100 55.35458 27.81621 63.93999 24.65834 -8.585415      37.17224 
1 1 1 24  31 3  o 143.6434 15.58982 645.3046       129.2305 179.0882       412.8931 695.9358       136.0669 88.95837 39.52457 149.0997 15.80076 -60.14138      42.56590 
1 1 1 24  31 4  o 36.20810 17.65401 -195.6527      121.6845 -808.9692      419.1524 -139.2047      127.1610 58.63507 29.31515 40.41751 19.28063 18.21756       35.08733 
1 1 1 24  31 5  o 48.51898 21.28827 -4.093258      116.2480 133.6481       421.2491 -15.44750      120.9444 87.06126 39.20740 48.32416 21.43542 38.73710       44.68443 
1 1 1 24  31 6  o 127.3689 38.18686 669.8701       307.7460 794.3314       447.6567 558.3405       423.7628 127.8631 46.34679 111.4421 43.97351 16.42103       63.88814 
1 1 1 24  31 7  o 156.3379 13.84915 754.3283       125.6686 287.0415       473.2035 789.7855       130.3492 95.97534 42.49488 159.8828 14.04387 -63.90746      44.75540 
1 1 1 24  31 8  o 110.3603 20.31476 401.4858       126.6412 -210.2974      466.4851 450.1624       131.5829 76.53276 36.62317 117.2888 19.83545 -40.75601      41.64975 
1 1 1 24  31 9  o 59.52657 23.10321 91.81007       115.3754 597.8804       424.0907 51.36036       119.8977 113.2023 44.19234 54.98380 22.76526 58.21852       49.71137 
1 1 1 24  31 10 o 158.3795 13.82021 775.2963       127.0857 326.8257       420.6593 820.3398       133.3152 95.79760 41.27358 162.7738 14.10417 -66.97619      43.61692 
1 1 1 24  31 11 o 146.3253 14.88580 668.6992       125.9680 4.629465       393.8472 744.3730       132.9517 78.60680 36.33963 154.4637 14.85944 -75.85686      39.26031 
1 1 1 24  31 12 o 94.21626 21.93035 302.0886       118.8991 23.39010       351.4732 338.1040       126.3483 76.32938 34.93466 99.65732 22.18799 -23.32793      41.38523 
1 1 1 24  31 13 o 87.06958 23.80928 264.6763       125.0520 238.0999       347.1655 268.6387       134.0506 87.30770 37.55413 87.19234 24.95096 0.1153641      45.08728 
1 1 1 24  31 14 o 166.6529 14.13545 863.3215       136.8549 1398.895       366.1046 776.3257       147.5518 189.9874 34.11065 156.5304 16.31199 33.45706       37.81028 
1 1 1 24  31 15 o 78.02295 22.59433 210.2382       109.3088 678.5880       362.4477 163.3781       114.6468 119.5483 41.87585 69.79818 23.58576 49.75011       48.06116 
1 1 1 24  31 16 o 224.4324 9.303335 1515.291       122.1890 2463.345       383.2659 1408.029       128.9160 267.2260 24.73587 215.7693 10.21649 51.45671       26.76266 
1 1 1 24  31 17 o 53.98175 20.67348 77.24496       91.50507 94.69331       336.8665 75.85496       95.08008 77.66971 35.01224 54.22078 20.99244 23.44893       40.82327 
1 1 1 24  31 18 o 44.43197 18.81636 19.57360       84.76737 288.0388       352.8079 3.126387       87.32536 88.88183 38.03757 42.92839 18.64962 45.95343       42.36349 
1 1 1 24  31 19 o 164.7215 9.680930 820.4634       93.11053 455.7261       380.0616 843.7523       96.03716 99.24882 40.75486 166.9610 9.851638 -67.71214      41.92867 
1 1 1 24  31 20 f 62.92349 24.99199 108.1423       137.7151 -26.81506      430.1734 123.5533       145.3656 76.88480 36.32138 65.42145 25.77328 11.46335       44.53655 
1 1 1 24  31 21 o 95.36920 42.09426 401.3680       460.8279 401.3680       460.8279 0.000000       0.000000 95.36920 42.09426 ?        ?        0.000000       42.09426 
1 1 1 24  31 22 o 85.86832 39.79468 186.7669       476.6455 186.7669       476.6455 0.000000       0.000000 85.86832 39.79468 ?        ?        0.000000       39.79468 
1 1 1 24  32 0  o 53.65177 23.24295 17.22019       134.8621 -427.9736      411.1118 70.90549       142.7622 65.90575 32.20225 60.25856 24.88497 5.647182       40.69701 
1 1 1 24  32 1  o 82.42831 24.43726 235.5787       126.5800 171.3785       414.8710 242.1685       132.9178 87.59509 39.22127 83.32079 25.12237 4.274300       46.57726 
1 1 1 24  32 2  o 48.85638 21.87217 -24.32409      128.9618 -19.46164      411.1565 -24.85465      135.8155 79.05083 36.74646 50.03680 22.41983 29.01403       43.04591 
1 1 1 24  32 3  o 162.1800 14.66118 818.0121       137.9449 786.6473       420.3034 821.7985       146.0342 127.4150 45.05580 161.9808 15.56366 -34.56579      47.66815 
1 1 1 24  32 4  o 55.91788 22.97663 58.72203       120.9013 49.14148       419.9219 59.58798       126.2470 82.21644 37.83382 56.77340 23.41916 25.44304       44.49556 
1 1 1 24  32 5  o 40.04470 18.92130 -107.7643      116.8450 -83.22462      433.1675 -109.6900      121.3430 77.85776 36.67908 40.87658 19.30461 36.98118       41.44904 
1 1 1 24  32 6  o 83.66479 25.71621 246.1878       138.3821 -222.6349      471.0136 290.4778       144.7711 75.78873 36.40745 90.44321 25.94482 -14.65448      44.70611 
1 1 1 24  32 7  o 49.41324 22.06402 -19.51974      130.3280 93.99865       428.7685 -31.07548      136.8008 84.16420 38.54483 49.58821 22.33638 34.57599       44.54905 
1 1 1 24  32 8  o 203.7492 12.87180 1274.395       153.0243 974.5864       412.7685 1322.165       164.7651 143.0171 44.49205 206.9748 13.64987 -63.95770      46.53882 
1 1 1 24  32 9  o 61.92606 24.12578 103.4914       126.1878 34.29768       401.1830 111.0887       132.9350 79.67034 36.77631 63.56491 24.76291 16.10543       44.33620 
1 1 1 24  32 10 o 137.7904 16.94016 606.3762       134.0171 617.1978       400.1592 605.0090       142.2309 112.9301 43.23643 136.8183 18.17464 -23.88817      46.90102 
1 1 1 24  32 11 o 95.49979 23.30094 317.0011       129.3306 426.3388       385.6163 303.1436       137.2819 99.42777 40.96338 92.48559 24.80192 6.942184       47.88668 
1 1 1 24  32 12 o 83.19471 24.84372 245.3558       130.4532 754.0263       376.6507 176.0187       139.0603 124.9422 42.74220 72.43925 25.88516 52.50298       49.96936 
1 1 1 24  32 13 o 152.0341 15.33007 728.6053       134.8250 1134.171       363.4431 663.8869       145.1844 163.4473 38.54526 143.5033 17.62014 19.94402       42.38167 
1 1 1 24  32 14 o 105.1937 19.31746 366.8347       114.7860 1505.839       384.3975 255.3271       120.2735 194.7659 34.93604 85.31440 23.35830 109.4515       42.02544 
1 1 1 24  32 15 o 67.59935 22.47836 153.0735       104.1762 0.000000       0.000000 153.0735       104.1762 ?        ?        67.59935 22.47836 0.000000       22.47836 
1 1 1 24  32 16 o 41.95076 18.79072 -21.66001      95.32230 83.59753       377.0205 -28.84789      98.52327 78.78375 36.10441 41.94854 18.91999 36.83521       40.76144 
1 1 1 24  32 17 o 65.21305 21.07243 142.3640       91.83315 962.8272       371.6587 89.01472       94.77178 142.7272 41.75793 56.02499 21.13665 86.70218       46.80260 
1 1 1 24  32 18 o 83.89873 18.26220 234.3048       87.30222 370.1581       387.6193 227.0451       89.60448 93.28487 39.89471 82.20551 18.97083 11.07936       44.17556 
1 1 1 24  32 19 o 72.81903 25.43657 184.1528       133.6753 1559.241       460.5993 57.67953       139.6875 181.4052 43.79490 57.41799 24.22717 123.9872       50.04947 
1 1 1 24  32 20 f 80.49149 38.10390 30.75743       478.0465 30.75743       478.0465 0.000000       0.000000 80.49149 38.10390 ?        ?        0.000000       38.10390 
1 1 1 24  33 0  o 45.83944 20.99215 -54.24910      127.1552 -225.7148      413.3195 -36.32428      133.6364 70.95363 34.08997 48.44968 21.92616 22.50395       40.53249 
1 1 1 24  33 1  o 75.08347 25.91993 192.9006       138.6076 191.3239       417.5638 193.0958       146.9392 87.15474 39.16050 75.30100 26.63906 11.85374       47.36226 
1 1 1 24  33 2  o 89.18552 25.01918 282.2327       136.1476 767.4316       429.9673 228.1630       143.5333 122.6085 45.26429 80.34190 26.37140 42.26658       52.38613 
1 1 1 24  33 3  o 61.42793 24.90007 88.57204       139.6587 -123.8599      408.6241 116.6687       148.6078 73.85680 35.04085 65.56673 25.98732 8.290062       43.62571 
1 1 1 24  33 4  o 41.46052 19.73711 -132.1844      131.8357 -496.0558      347.2875 -70.91890      142.5028 57.57930 28.42195 47.41230 21.89739 10.16700       35.87900 
1 1 1 24  33 5  o 70.21012 25.31906 161.2015       133.3827 149.2742       350.6259 163.2196       144.2262 81.85483 36.39233 71.01036 26.21558 10.84447       44.85152 
1 1 1 24  33 6  o 72.91070 25.77528 179.2551       137.5449 173.0044       396.2427 180.1114       146.6645 84.99215 38.17157 73.33567 26.53581 11.65648       46.48890 
1 1 1 24  33 7  o 62.40654 24.18075 108.8159       126.2293 -525.4509      416.0797 173.1101       132.4727 62.88824 31.05506 71.81802 25.30381 -8.929779      40.05870 
1 1 1 24  33 8  o 89.04408 25.15891 283.4236       137.1615 432.0626       406.1265 264.2867       145.7238 99.05040 41.52233 85.52665 26.40759 13.52375       49.20839 
1 1 1 24  33 9  o 84.25439 26.10144 256.0125       142.2268 -384.4039      402.0908 347.5981       152.0570 64.93977 31.75521 97.98457 26.02430 -33.04479      41.05676 
1 1 1 24  33 10 o 64.55547 25.05991 120.5203       135.7666 287.7483       397.4691 98.43166       144.4551 90.01446 39.43310 62.70429 25.35784 27.31017       46.88272 
1 1 1 24  33 11 f 110.8730 42.99958 617.1564       399.4391 617.1564       399.4391 0.000000       0.000000 110.8730 42.99958 ?        ?        0.000000       42.99958 
1 1 1 24  33 12 o 49.77514 21.91144 1.413960       124.0850 147.1365       387.6422 -15.22215      130.9766 82.39162 37.30954 49.45396 22.09798 32.93766       43.36268 
1 1 1 24  33 13 o 61.64120 23.50959 110.9279       118.0149 375.3269       353.0305 77.66387       125.2188 94.26545 39.04963 58.05982 23.56199 36.20563       45.60747 
1 1 1 24  33 14 o 67.08961 23.42758 149.7422       113.3883 330.9105       344.3102 127.7041       120.0869 90.78606 38.15588 64.08217 23.87201 26.70390       45.00827 
1 1 1 24  33 15 o 127.5799 18.09482 532.2374       131.5963 424.0952       378.7641 547.0836       140.3389 96.45930 40.24330 128.5732 19.19860 -32.11389      44.58822 
1 1 1 24  33 16 o 94.51587 20.33701 303.6750       109.3859 -335.5429      382.7111 360.5394       114.1477 63.82576 31.16085 103.7762 19.47005 -39.95048      36.74345 
1 1 1 24  33 17 o 88.61359 19.19797 264.1114       96.88203 -417.8708      433.3947 299.9833       99.39735 65.51079 32.22358 94.99850 18.50610 -29.48772      37.15958 
1 1 1 24  33 18 o 90.42607 25.43708 299.1287       140.5309 177.1290       458.8061 311.7594       147.6264 84.77470 39.20199 91.84695 26.15185 -7.072250      47.12447 
1 1 1 24  33 19 o 91.07055 41.00024 344.8185       460.2493 344.8185       460.2493 0.000000       0.000000 91.07055 41.00024 ?        ?        0.000000       41.00024 
1 1 1 24  34 0  o 86.24258 26.51579 271.0715       147.1088 468.6724       406.4461 241.2836       157.8079 100.4834 41.78625 81.54853 27.67073 18.93483       50.11747 
1 1 1 24  34 1  o 88.00008 26.44421 282.4701       147.4535 466.0464       395.3112 252.8004       158.9231 100.4849 41.44470 83.16319 27.76620 17.32169       49.88612 
1 1 1 24  34 2  o 67.93300 25.72466 144.2636       140.6821 -442.6537      366.6914 245.5615       152.3395 60.25470 29.63861 82.23515 27.17669 -21.98045      40.21218 
1 1 1 24  34 3  o 48.57827 22.40863 -65.76646      148.5812 -450.2659      374.8642 5.897415       161.8364 60.75349 29.90025 55.95146 24.80845 4.802036       38.85208 
1 1 1 24  34 4  o 38.58416 18.88050 -228.0040      142.8731 -384.2665      382.0394 -202.5961      154.0513 63.02372 30.84682 41.78287 20.25482 21.24086       36.90236 
1 1 1 24  34 5  o 76.86071 25.79259 208.9440       137.1121 143.7856       388.1672 218.2329       146.5598 82.11827 37.24509 78.21420 26.66436 3.904076       45.80595 
1 1 1 24  34 6  o 68.91547 25.77355 152.8539       140.2539 145.2614       395.0494 153.9489       150.0274 82.39789 37.45140 69.59769 26.51601 12.80019       45.88798 
1 1 1 24  34 7  o 90.65888 25.39467 297.3438       140.3753 396.1806       381.8842 281.9026       150.9429 95.57572 40.17733 87.53493 26.84918 8.040794       48.32283 
1 1 1 24  34 8  o 39.84699 19.33978 -194.1663      141.5609 125.6210       390.3176 -242.6015      151.9036 81.22013 37.03629 39.59914 19.39619 41.62099       41.80788 
1 1 1 24  34 9  o 65.18851 25.37842 124.7478       139.5515 676.7557       391.8173 44.55040       149.3451 115.0015 43.06417 57.50668 24.68183 57.49482       49.63583 
1 1 1 24  34 10 o 41.32179 19.31831 -81.75765      116.2627 757.3000       401.4165 -158.5880      121.4691 120.4277 43.85341 37.63198 18.18050 82.79576       47.47264 
1 1 1 24  34 11 o 31.21113 15.48264 -230.3239      107.8014 -197.8268      405.0497 -232.8013      111.8349 69.58903 33.51421 31.99613 15.85409 37.59290       37.07499 
1 1 1 24  34 12 o 61.51053 25.12817 92.53446       143.5488 760.6288       408.4725 -1.602430      153.3288 118.9996 44.08461 53.81974 23.98833 65.17982       50.18857 
1 1 1 24  34 13 o 123.1926 24.20168 536.6465       168.6157 0.000000       0.000000 536.6465       168.6157 ?        ?        123.1926 24.20168 0.000000       24.20168 
1 1 1 24  34 14 o 71.26215 26.73639 170.5345       151.1792 275.3463       393.8753 152.4256       163.7192 87.39663 38.72935 69.71017 27.38564 17.68646       47.43349 
1 1 1 24  34 15 o 109.0005 17.76944 389.8061       109.6836 741.1188       383.7807 358.5585       114.4577 119.1295 42.94929 103.2958 19.61050 15.83367       47.21454 
1 1 1 24  34 16 f 48.87453 19.96673 46.37918       90.63748 -243.9845      407.5851 61.48510       92.96526 67.81872 32.89256 51.38396 20.49278 16.43475       38.75402 
1 1 1 24  35 0  o 58.03392 24.87670 49.49413       151.3574 -89.90451      409.9839 71.49124       162.8622 73.23537 34.84706 61.42494 26.05004 11.81042       43.50773 
1 1 1 24  35 1  o 42.42394 20.29586 -147.1980      143.0654 -230.8194      368.2729 -132.3353      155.2597 65.79552 31.75446 45.40127 21.55743 20.39425       38.38058 
1 1 1 24  35 2  o 48.96330 22.60415 -64.37626      151.6174 -789.7777      390.6383 64.28162       164.5143 54.56007 27.42131 60.96867 26.03010 -6.408600      37.80865 
1 1 1 24  35 3  o 67.37404 26.55826 135.4021       154.4367 213.7499       391.8539 120.9946       168.0377 84.79620 38.03140 66.82280 27.22915 17.97340       46.77407 
1 1 1 24  35 4  o 63.10597 25.45240 104.7784       145.1043 -208.9344      400.4511 152.1942       155.6844 68.89314 33.21535 69.42508 26.86674 -0.5319366     42.72097 
1 1 1 24  35 5  o 53.70871 23.79093 4.923446       148.4779 -599.8502      420.5540 91.04059       158.6975 60.67725 30.18053 62.93140 26.13535 -2.254154      39.92394 
1 1 1 24  35 6  o 91.29454 27.56229 313.4021       159.9155 4.029874       395.8212 373.7489       174.8178 75.72160 35.47952 98.93657 28.55047 -23.21497      45.54037 
1 1 1 24  35 7  o 64.74225 26.04646 115.3697       151.5405 -195.1397      385.4563 172.1373       164.8117 68.02061 32.74228 72.10123 27.71138 -4.080627      42.89496 
1 1 1 24  35 8  o 91.08900 27.82426 314.4080       162.3196 293.5754       387.6264 318.8378       178.7464 88.20816 38.78233 90.70438 29.40639 -2.496216      48.67036 
1 1 1 24  35 9  o 81.58822 23.90660 238.6727       121.7354 -328.0260      389.2497 300.1098       128.1645 64.22124 31.36951 91.62770 23.68016 -27.40646      39.30389 
1 1 1 24  35 10 o 40.08850 18.89674 -94.36130      115.2713 -158.0657      381.7319 -87.96955      120.9159 68.66381 32.92994 41.67496 19.55331 26.98885       38.29768 
1 1 1 24  35 11 o 69.13640 27.06440 150.8050       159.4221 575.2574       426.3561 81.81448       171.8908 103.8093 42.95024 63.03696 26.74921 40.77234       50.59885 
1 1 1 24  35 12 o 115.6168 25.22726 482.9250       166.2376 1221.898       411.5250 338.8255       181.7244 158.3213 43.15009 93.05524 29.60063 65.26610       52.32712 
1 1 1 24  35 13 o 53.40997 24.10902 -17.37248      160.3537 -35.41430      394.3058 -13.79741      175.5236 73.54166 34.75171 55.73003 25.18363 17.81162       42.91732 
1 1 1 24  35 14 o 61.44294 24.55817 103.0992       133.8025 615.2928       400.7449 38.83654       141.9483 106.7674 42.55849 55.47618 23.93910 51.29118       48.82935 
1 1 1 24  36 0  o 60.86532 25.48072 80.98437       152.6274 -379.7125      337.9455 199.0325       171.0679 58.23848 28.60825 75.04429 28.37850 -16.80581      40.29605 
1 1 1 24  36 1  o 56.36298 25.61530 -20.28875      184.7438 0.000000       0.000000 -20.28875      184.7438 ?        ?        56.36298 25.61530 0.000000       25.61530 
1 1 1 24  36 2  o 50.45266 23.32860 -63.23659      162.4252 475.2993       360.1621 -200.7279      181.9819 98.66719 39.98979 46.10764 22.26973 52.55955       45.77253 
1 1 1 24  36 3  o 84.50639 27.62773 270.1937       157.6040 131.9216       367.5247 301.3502       174.4589 78.75523 35.92242 88.09546 29.08157 -9.340225      46.21859 
1 1 1 24  36 4  o 89.59701 26.52985 300.9411       149.2609 206.9173       392.1282 316.8724       161.4117 83.10267 37.58862 91.08134 27.73142 -7.978668      46.71120 
1 1 1 24  36 5  o 80.56589 28.84863 243.9012       172.8163 313.3778       376.4722 225.3526       194.5221 88.25912 38.52706 78.51881 30.12414 9.740311       48.90601 
1 1 1 24  36 6  o 56.09733 25.28852 -7.645288      175.7529 -170.7530      387.7226 34.53709       197.1739 68.33860 32.88082 61.60091 27.34454 6.737690       42.76531 
1 1 1 24  36 7  o 77.70149 28.06922 221.3617       164.0196 85.04130       369.8220 254.7420       183.0026 76.73148 35.38029 81.83514 29.63720 -5.103653      46.15332 
1 1 1 24  36 8  o 53.13703 24.11539 -25.12142      163.0370 567.7923       375.6677 -162.7114      180.9679 104.7449 41.38053 47.70631 22.82396 57.03859       47.25760 
1 1 1 24  36 9  o 95.31538 25.15344 332.8554       142.6314 -322.9341      393.4829 432.0574       153.0396 64.35852 31.45869 109.6505 24.42437 -45.29200      39.82711 
1 1 1 24  36 10 o 63.80223 26.31301 103.9568       159.3299 244.1024       382.5957 74.55247       175.2493 84.57610 37.78170 62.50110 26.77942 22.07499       46.30977 
1 1 1 24  36 11 o 164.2470 20.38663 908.8802       192.1647 0.000000       0.000000 908.8802       192.1647 ?        ?        164.2470 20.38663 0.000000       20.38663 
1 1 1 24  37 0  o 52.07807 23.88094 -41.63762      165.2977 -191.1120      298.8148 24.27074       198.4216 60.12630 28.91315 60.65892 27.14505 -0.5326271     39.65885 
1 1 1 24  37 1  o 50.52194 23.33522 -57.94090      161.8726 107.8751       300.3194 -125.8406      192.1782 73.67573 33.14845 50.96042 24.13459 22.71531       41.00364 
1 1 1 24  37 2  o 67.12125 26.83954 136.7498       159.8880 -105.4411      327.8463 212.3294       183.1445 65.84078 31.28076 76.50497 29.26034 -10.66419      42.83285 
1 1 1 24  37 3  o 47.64111 23.24089 -265.4366      211.6930 0.000000       0.000000 -265.4366      211.6930 ?        ?        47.64111 23.24089 0.000000       23.24089 
1 1 1 24  37 4  o 69.65211 27.64751 154.9788       168.4373 655.1762       388.4266 39.13649       186.9269 109.5421 42.42480 60.62728 26.78248 48.91483       50.17136 
1 1 1 24  37 5  o 76.73827 28.79908 215.2535       175.4320 406.4822       413.3870 173.2491       193.7436 92.73334 40.42785 72.77668 29.38998 19.95666       49.98181 
1 1 1 24  37 6  o 88.87209 29.05899 310.3906       174.3536 685.9861       390.7077 216.9960       194.8285 111.4347 42.70799 77.18799 30.00424 34.24668       52.19412 
1 1 1 24  37 7  o 48.37446 22.81924 -109.6703      168.6528 -222.8580      390.0394 -83.64101      187.0424 66.29782 32.16004 52.47099 24.52161 13.82684       40.44227 
1 1 1 25  0  0  o 87.77045 48.41414 336.5494       362.1763 336.5494       362.1763 336.5494       362.1763 87.77045 48.41414 87.77045 48.41414 0.000000       0.000000 
1 1 1 25  0  1  o 284.3842 25.91954 2464.937       423.6146 2464.937       423.6146 2464.937       423.6146 284.3842 25.91954 284.3842 25.91954 0.000000       0.000000 
1 1 1 25  0  2  o 54.52427 37.29388 -217.0271      376.2594 -217.0271      376.2594 -217.0271      376.2594 54.52427 37.29388 54.52427 37.29388 0.000000       0.000000 
1 1 1 25  0  3  o 246.9590 31.08716 1907.337       430.9130 1907.337       430.9130 1907.337       430.9130 246.9590 31.08716 246.9590 31.08716 0.000000       0.000000 
1 1 1 25  0  4  o 74.39554 46.25438 134.0170       406.1406 134.0170       406.1406 134.0170       406.1406 74.39554 46.25438 74.39554 46.25438 0.000000       0.000000 
1 1 1 25  0  5  o 367.7177 24.68900 4070.909       526.8443 4070.909       526.8443 4070.909       526.8443 367.7177 24.68900 367.7177 24.68900 0.000000       0.000000 
1 1 1 25  0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  7  o 112.9945 58.34933 591.9801       496.4993 591.9801       496.4993 591.9801       496.4993 112.9945 58.34933 112.9945 58.34933 0.000000       0.000000 
1 1 1 25  0  8  o 61.15667 41.95122 -291.4436      483.8484 -291.4436      483.8484 -291.4436      483.8484 61.15667 41.95122 61.15667 41.95122 0.000000       0.000000 
1 1 1 25  0  9  o 259.9431 38.69061 2164.405       551.4275 2164.405       551.4275 2164.405       551.4275 259.9431 38.69061 259.9431 38.69061 0.000000       0.000000 
1 1 1 25  0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  11 o 357.3676 32.26254 3917.040       662.8804 3917.040       662.8804 3917.040       662.8804 357.3676 32.26254 357.3676 32.26254 0.000000       0.000000 
1 1 1 25  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  13 o 158.1964 64.43620 1090.451       586.9792 1090.451       586.9792 1090.451       586.9792 158.1964 64.43620 158.1964 64.43620 0.000000       0.000000 
1 1 1 25  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  15 o 352.4553 26.96138 3770.826       549.6185 3770.826       549.6185 3770.826       549.6185 352.4553 26.96138 352.4553 26.96138 0.000000       0.000000 
1 1 1 25  0  16 o 162.5694 61.65614 1117.420       551.9457 1117.420       551.9457 1117.420       551.9457 162.5694 61.65614 162.5694 61.65614 0.000000       0.000000 
1 1 1 25  0  17 o 395.4845 24.45011 4715.266       562.0802 4715.266       562.0802 4715.266       562.0802 395.4845 24.45011 395.4845 24.45011 0.000000       0.000000 
1 1 1 25  0  18 o 149.8062 57.79825 957.3141       481.3901 957.3141       481.3901 957.3141       481.3901 149.8062 57.79825 149.8062 57.79825 0.000000       0.000000 
1 1 1 25  0  19 o 204.4273 41.13281 1416.180       437.1588 1416.180       437.1588 1416.180       437.1588 204.4273 41.13281 204.4273 41.13281 0.000000       0.000000 
1 1 1 25  0  20 o 226.1823 29.76067 1616.692       375.8073 1616.692       375.8073 1616.692       375.8073 226.1823 29.76067 226.1823 29.76067 0.000000       0.000000 
1 1 1 25  0  21 o 116.0700 54.95049 632.9714       423.9996 632.9714       423.9996 632.9714       423.9996 116.0700 54.95049 116.0700 54.95049 0.000000       0.000000 
1 1 1 25  0  22 o 73.48242 45.90523 142.2346       404.9341 142.2346       404.9341 142.2346       404.9341 73.48242 45.90523 73.48242 45.90523 0.000000       0.000000 
1 1 1 25  0  23 o 233.4495 31.64687 1743.620       410.8372 1743.620       410.8372 1743.620       410.8372 233.4495 31.64687 233.4495 31.64687 0.000000       0.000000 
1 1 1 25  0  24 o 65.62648 41.73615 81.50059       351.6767 81.50059       351.6767 81.50059       351.6767 65.62648 41.73615 65.62648 41.73615 0.000000       0.000000 
1 1 1 25  0  25 o 60.96833 39.55421 28.98018       336.5439 28.98018       336.5439 28.98018       336.5439 60.96833 39.55421 60.96833 39.55421 0.000000       0.000000 
1 1 1 25  0  26 o 270.4346 21.75696 2245.825       339.7749 2245.825       339.7749 2245.825       339.7749 270.4346 21.75696 270.4346 21.75696 0.000000       0.000000 
1 1 1 25  0  27 o 62.57698 39.39217 104.5859       304.3145 104.5859       304.3145 104.5859       304.3145 62.57698 39.39217 62.57698 39.39217 0.000000       0.000000 
1 1 1 25  0  28 o 67.25342 40.87689 174.8781       300.9257 174.8781       300.9257 174.8781       300.9257 67.25342 40.87689 67.25342 40.87689 0.000000       0.000000 
1 1 1 25  0  29 o 51.66423 34.51003 -46.29514      286.8234 -46.29514      286.8234 -46.29514      286.8234 51.66423 34.51003 51.66423 34.51003 0.000000       0.000000 
1 1 1 25  0  30 o 64.11131 39.47353 151.1031       288.8732 151.1031       288.8732 151.1031       288.8732 64.11131 39.47353 64.11131 39.47353 0.000000       0.000000 
1 1 1 25  0  31 o 44.68849 30.77344 -143.6374      266.2658 -143.6374      266.2658 -143.6374      266.2658 44.68849 30.77344 44.68849 30.77344 0.000000       0.000000 
1 1 1 25  0  32 o 208.7603 23.67408 1392.047       280.2440 1392.047       280.2440 1392.047       280.2440 208.7603 23.67408 208.7603 23.67408 0.000000       0.000000 
1 1 1 25  0  33 o 38.22177 27.29994 -352.2721      276.1568 -352.2721      276.1568 -352.2721      276.1568 38.22177 27.29994 38.22177 27.29994 0.000000       0.000000 
1 1 1 25  0  34 o 68.56370 40.52049 227.2798       279.8960 227.2798       279.8960 227.2798       279.8960 68.56370 40.52049 68.56370 40.52049 0.000000       0.000000 
1 1 1 25  0  35 o 66.77383 40.76543 202.6428       302.1898 202.6428       302.1898 202.6428       302.1898 66.77383 40.76543 66.77383 40.76543 0.000000       0.000000 
1 1 1 25  0  36 o 82.51324 43.50130 369.8292       280.1491 369.8292       280.1491 369.8292       280.1491 82.51324 43.50130 82.51324 43.50130 0.000000       0.000000 
1 1 1 25  0  37 o 61.35860 39.12169 129.3437       311.3555 129.3437       311.3555 129.3437       311.3555 61.35860 39.12169 61.35860 39.12169 0.000000       0.000000 
1 1 1 25  0  38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  0  39 o 71.88134 42.69848 278.5944       313.6786 278.5944       313.6786 278.5944       313.6786 71.88134 42.69848 71.88134 42.69848 0.000000       0.000000 
1 1 1 25  1  0  o 209.9954 22.51658 1337.048       272.9831 1729.153       389.8578 959.8719       382.3641 236.9109 28.63948 172.0631 38.81781 64.84776       48.23943 
1 1 1 25  1  1  o 314.4580 17.19511 2947.073       315.9093 2834.002       449.9175 3057.028       443.6744 305.4874 25.34026 317.9143 23.97261 -12.42688      34.88287 
1 1 1 25  1  2  o 73.06831 31.90730 -32.38784      258.4137 -93.88221      371.2537 25.40743       359.9144 84.13979 37.42554 89.56182 38.37561 -5.422028      53.60372 
1 1 1 25  1  3  o 183.7674 25.57782 1036.974       268.2047 1082.777       373.6936 988.3175       385.1639 184.1867 35.88496 174.8027 38.60300 9.384003       52.70599 
1 1 1 25  1  4  o 329.6815 17.65497 3240.376       340.1147 3378.687       460.4171 3074.244       504.6035 334.5298 23.61930 317.4640 27.36921 17.06583       36.15170 
1 1 1 25  1  5  o 291.5568 20.11754 2548.746       341.8833 2488.613       475.1040 2613.324       492.3489 284.8232 28.83915 291.7934 29.16065 -6.970184      41.01268 
1 1 1 25  1  6  o 103.3370 38.66668 269.2114       315.7580 339.8002       430.5070 187.0245       464.5298 117.2504 44.85706 109.6273 45.04098 7.623177       63.56765 
1 1 1 25  1  7  o 66.97623 31.69562 -355.9069      330.2643 -551.6393      459.2672 -146.2946      475.2723 76.47131 36.52427 93.30626 41.86341 -16.83495      55.55688 
1 1 1 25  1  8  o 210.6375 29.59550 1373.156       355.5345 1303.352       492.4406 1449.161       513.8458 199.6195 43.31048 210.8873 43.00560 -11.26784      61.03506 
1 1 1 25  1  9  o 203.7213 32.57878 1299.297       376.1355 1170.442       505.5932 1459.005       562.8779 187.9173 46.20463 209.8768 46.91087 -21.95949      65.84450 
1 1 1 25  1  10 o 403.1003 28.64728 4954.273       672.8339 4954.273       672.8339 0.000000       0.000000 403.1003 28.64728 ?        ?        0.000000       28.64728 
1 1 1 25  1  11 o 388.8262 20.46189 4525.683       464.9651 4615.585       646.8977 4429.600       668.7673 388.9734 28.55635 380.1250 30.24768 8.848389       41.59792 
1 1 1 25  1  12 o 185.9435 37.86854 1110.848       398.9161 1007.685       534.3850 1240.692       599.5220 173.3622 49.88293 191.1144 52.07936 -17.75226      72.11495 
1 1 1 25  1  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  1  14 o 183.8598 51.42984 1154.049       576.1785 1154.049       576.1785 0.000000       0.000000 183.8598 51.42984 ?        ?        0.000000       51.42984 
1 1 1 25  1  15 o 131.1648 48.46664 494.4055       493.1502 0.000000       0.000000 494.4055       493.1502 ?        ?        131.1648 48.46664 0.000000       48.46664 
1 1 1 25  1  16 o 194.8885 35.70953 1218.453       393.1146 1450.641       564.0444 999.1335       548.1906 207.0405 47.46765 170.7552 50.91264 36.28531       69.60801 
1 1 1 25  1  17 o 215.5836 29.44688 1451.981       362.5896 1728.144       492.9462 1126.426       535.2161 231.3650 37.62004 180.6250 49.20137 50.74004       61.93579 
1 1 1 25  1  18 o 385.8644 16.66760 4447.694       376.2988 4044.746       504.0172 4955.177       565.6298 364.5219 23.70462 403.4136 24.01604 -38.89172      33.74432 
1 1 1 25  1  19 o 48.92975 24.29128 -615.9394      267.3771 -514.0031      350.0001 -758.8044      414.3494 63.41309 30.69017 64.61676 31.72857 -1.203667      44.14282 
1 1 1 25  1  20 o 250.9732 26.00302 1948.410       377.1994 1948.410       377.1994 0.000000       0.000000 250.9732 26.00302 ?        ?        0.000000       26.00302 
1 1 1 25  1  21 o 68.43324 30.90253 -104.3756      263.7563 -259.6403      357.5560 80.96345       390.6530 73.36840 34.15991 94.26250 40.17406 -20.89410      52.73381 
1 1 1 25  1  22 o 72.68893 32.20099 -49.25462      272.0580 -106.4840      363.5598 23.57628       410.1327 80.81697 36.40711 92.44393 40.28556 -11.62696      54.29921 
1 1 1 25  1  23 o 208.4515 33.95221 1420.988       400.7997 0.000000       0.000000 1420.988       400.7997 ?        ?        208.4515 33.95221 0.000000       33.95221 
1 1 1 25  1  24 o 234.6170 27.87734 1748.506       376.0942 0.000000       0.000000 1748.506       376.0942 ?        ?        234.6170 27.87734 0.000000       27.87734 
1 1 1 25  1  25 o 106.9541 38.77807 363.9643       313.4121 363.9643       313.4121 0.000000       0.000000 106.9541 38.77807 ?        ?        0.000000       38.77807 
1 1 1 25  1  26 o 77.14600 31.31093 118.2087       221.1522 123.3121       298.2126 111.9721       329.6592 85.08256 35.61794 87.10217 37.00578 -2.019608      51.36210 
1 1 1 25  1  27 o 57.79578 26.68139 -122.0168      211.2375 -216.9854      297.7781 -25.81777      299.7009 65.19675 30.61962 74.96977 33.46828 -9.773026      45.36174 
1 1 1 25  1  28 o 57.68559 26.67965 -123.4266      212.6344 -388.9787      304.5644 129.0972       296.9993 59.16515 28.63299 84.04839 35.38754 -24.88325      45.52061 
1 1 1 25  1  29 o 226.3628 17.10140 1578.728       225.3528 1569.803       322.7167 1587.222       314.8239 219.4385 25.55354 221.4051 24.66364 -1.966629      35.51448 
1 1 1 25  1  30 o 42.12725 20.92488 -435.2782      199.3975 -228.9683      293.2793 -612.6218      271.9126 63.07402 29.85466 47.99988 23.93797 15.07414       38.26653 
1 1 1 25  1  31 o 62.83684 27.39662 16.99653       189.8762 -192.7443      286.2523 181.7864       253.7305 63.24406 29.80146 82.84210 33.56895 -19.59805      44.88876 
1 1 1 25  1  32 o 54.14118 24.97994 -93.41148      184.7739 -10.73835      280.8231 -156.5279      245.3701 71.35178 32.08271 59.47831 27.88972 11.87347       42.51043 
1 1 1 25  1  33 o 89.42457 30.42297 280.0081       190.7753 484.2898       278.7939 100.1208       261.6186 111.4618 36.76176 76.11428 32.66784 35.34756       49.17942 
1 1 1 25  1  34 o 54.64798 25.33730 -99.36092      193.5522 -212.1875      268.0210 23.60718       279.8075 59.19810 28.16991 72.20464 32.27885 -13.00653      42.84236 
1 1 1 25  1  35 o 75.43574 29.96999 163.9485       198.0930 332.5108       280.3801 -4.051474      279.9121 94.47276 36.18610 70.12700 31.73500 24.34576       48.13049 
1 1 1 25  1  36 o 67.45730 29.07152 66.88487       208.8123 101.0833       300.2381 34.84513       290.6076 77.59056 34.12237 72.95045 32.73251 4.640114       47.28375 
1 1 1 25  1  37 o 87.00058 31.54086 275.7572       207.3377 300.2168       286.3640 248.8065       300.5927 90.48226 36.00585 86.83878 36.00841 3.643486       50.92178 
1 1 1 25  1  38 o 124.8587 35.29615 632.2919       269.8918 562.1536       332.5918 767.5372       461.8438 112.2744 40.04154 121.3747 46.45448 -9.100250      61.32979 
1 1 1 25  2  0  o 157.1438 28.20561 770.7497       250.3943 1065.896       337.8367 410.9877       372.9891 183.9038 32.51215 119.2980 42.41876 64.60577       53.44522 
1 1 1 25  2  1  o 308.7548 17.19769 2841.479       310.1807 2729.520       417.7441 2979.053       463.0730 300.3297 23.91446 313.2153 25.42753 -12.88562      34.90646 
1 1 1 25  2  2  o 152.7034 31.99295 739.2814       277.3311 843.0409       368.7702 604.2011       420.7634 160.9963 39.38544 138.0827 45.14189 22.91357       59.90829 
1 1 1 25  2  3  o 127.8167 35.73103 522.0817       278.2032 765.6752       367.4597 194.9335       425.8427 153.2840 40.33646 106.7756 43.40720 46.50839       59.25550 
1 1 1 25  2  4  o 131.9625 35.32616 557.7726       278.8085 646.6653       372.2243 444.1524       420.8228 141.4221 41.90022 124.6338 44.96894 16.78828       61.46409 
1 1 1 25  2  5  o 94.96593 36.64180 200.6056       288.9506 365.3511       387.2401 -6.353543      434.0261 116.4087 42.95980 95.75379 41.58831 20.65493       59.79242 
1 1 1 25  2  6  o 243.0360 23.51696 1789.370       331.0156 1434.713       426.0216 2329.672       525.8306 213.0505 35.33287 273.4770 33.48257 -60.42650      48.67745 
1 1 1 25  2  7  o 104.3094 44.93050 37.23630       498.2838 0.000000       0.000000 37.23630       498.2838 ?        ?        104.3094 44.93050 0.000000       44.93050 
1 1 1 25  2  8  f 334.6492 20.69659 3356.707       404.2116 3356.477       558.4001 3356.960       585.8721 331.2148 29.04004 330.5052 30.57193 0.7096558      42.16595 
1 1 1 25  2  9  o 370.9877 20.26533 4118.560       439.2497 3817.615       583.7002 4511.510       666.9827 353.7375 28.37350 383.9360 29.85589 -30.19855      41.18774 
1 1 1 25  2  10 o 436.5896 28.82875 5811.168       734.0274 0.000000       0.000000 5811.168       734.0274 ?        ?        436.5896 28.82875 0.000000       28.82875 
1 1 1 25  2  11 o 138.3638 43.22187 611.6960       389.1074 275.8684       520.7170 1036.325       585.5292 119.3696 48.19066 175.3953 52.69353 -56.02574      71.40692 
1 1 1 25  2  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  2  13 o 179.7589 48.53569 1086.284       523.5615 1086.284       523.5615 0.000000       0.000000 179.7589 48.53569 ?        ?        0.000000       48.53569 
1 1 1 25  2  14 o 257.0854 27.04917 2025.801       401.7294 2025.801       401.7294 0.000000       0.000000 257.0854 27.04917 ?        ?        0.000000       27.04917 
1 1 1 25  2  15 o 251.7302 21.41388 1913.841       313.1433 1936.530       403.8604 1879.637       495.8714 250.7296 27.93880 243.3500 35.81470 7.379608       45.42323 
1 1 1 25  2  16 o 194.5144 33.83452 1204.405       371.9695 1235.464       556.8520 1179.379       499.8425 189.7704 49.51840 186.9796 45.92137 2.790878       67.53403 
1 1 1 25  2  17 o 289.2239 22.94579 2541.330       386.0257 2648.555       522.7643 2412.749       572.4597 291.1919 31.09138 274.7473 36.42364 16.44464       47.88899 
1 1 1 25  2  18 o 391.3943 17.65609 4586.492       404.2407 4395.842       538.3762 4832.890       612.0493 379.6835 24.30526 396.7959 26.45184 -17.11237      35.92276 
1 1 1 25  2  19 o 78.63714 33.28535 44.98279       265.0367 37.06627       344.0776 56.53315       415.6112 87.29738 37.46573 95.68690 41.12310 -8.389526      55.63084 
1 1 1 25  2  20 o 83.90745 33.46800 136.2423       247.9899 204.2517       333.6798 52.32901       370.6474 97.67496 38.86722 90.80551 38.92676 6.869453       55.00866 
1 1 1 25  2  21 o 341.8092 15.21057 3488.544       304.1519 3675.227       420.8012 3284.325       440.1205 348.2308 20.69774 327.8568 23.03614 20.37405       30.96870 
1 1 1 25  2  22 o 105.0612 34.66456 347.5951       247.8833 534.9613       336.5114 125.3111       366.5289 126.7457 40.27613 94.33067 39.48836 32.41499       56.40476 
1 1 1 25  2  23 o 130.8697 32.26887 565.4823       246.0832 784.3821       337.9452 318.4010       359.0405 151.8595 38.03185 107.1587 40.97269 44.70084       55.90333 
1 1 1 25  2  24 o 148.5771 41.18991 776.3596       371.3785 0.000000       0.000000 776.3596       371.3785 ?        ?        148.5771 41.18991 0.000000       41.18991 
1 1 1 25  2  25 o 94.12935 33.31758 272.9231       229.8765 241.5381       299.1333 318.1904       359.2496 95.24136 37.13390 105.0078 40.76407 -9.766472      55.14196 
1 1 1 25  2  26 o 99.82409 33.14039 329.9193       226.4622 126.5002       295.5383 619.2430       352.4601 85.00772 35.51300 130.2635 41.19826 -45.25577      54.39182 
1 1 1 25  2  27 o 91.62078 31.86728 270.1508       209.6861 439.5438       288.7535 81.16683       304.9945 111.7351 37.42926 82.04178 35.24298 29.69337       51.41028 
1 1 1 25  2  28 o 60.10038 27.41896 -86.16589      214.2590 -156.7596      309.7557 -21.40504      296.6829 68.91621 31.98732 74.37105 33.24332 -5.454842      46.13358 
1 1 1 25  2  29 o 112.3572 31.18075 441.4382       212.6975 504.8727       313.3759 387.2546       289.6254 116.5875 38.99145 104.9474 37.37246 11.64010       54.00957 
1 1 1 25  2  30 o 75.86464 30.67703 133.8450       211.3922 201.0546       306.0557 72.53104       292.3241 88.64426 36.50444 78.64243 34.14378 10.00183       49.98372 
1 1 1 25  2  31 o 52.46334 24.67775 -153.4718      194.7423 -55.41416      287.4685 -236.6410      264.7468 69.94062 31.85092 58.67274 27.94176 11.26788       42.37007 
1 1 1 25  2  32 o 208.0529 16.47780 1343.874       199.4182 1412.091       306.5893 1293.850       262.5455 205.2033 26.06261 199.1533 22.89442 6.049927       34.69026 
1 1 1 25  2  33 o 44.60445 21.67006 -257.0002      178.8900 -303.1152      261.9041 -216.6704      244.9258 55.20146 26.67523 56.38003 26.85708 -1.178570      37.85327 
1 1 1 25  2  34 o 98.92290 30.81336 359.0162       197.9113 591.9385       283.4790 137.5307       276.4318 121.8968 36.67405 79.25238 33.78615 42.64439       49.86471 
1 1 1 25  2  35 o 77.24743 29.82059 185.4882       191.4538 282.6884       293.2467 113.2770       252.7562 90.41885 36.28248 75.17303 32.18369 15.24581       48.49957 
1 1 1 25  2  36 o 106.8484 30.53080 426.6683       200.8545 698.1105       311.9274 234.4036       262.5214 129.1869 38.37712 84.95442 34.24546 44.23251       51.43496 
1 1 1 25  2  37 o 50.82308 24.67585 -284.2770      230.9983 -551.6500      296.8454 126.2042       367.8055 51.10010 25.40679 82.42000 36.91492 -31.31990      44.81312 
1 1 1 25  2  38 f 79.11595 34.02223 154.4756       284.8027 103.6977       349.2940 255.1937       491.9344 79.93797 35.87531 92.80412 42.02673 -12.86615      55.25653 
1 1 1 25  3  0  o 282.4185 17.99070 2382.685       296.4339 2357.856       397.6470 2413.741       444.7360 278.7427 24.57592 280.9478 27.33671 -2.205017      36.75964 
1 1 1 25  3  1  o 317.8977 17.00740 3010.670       315.9309 3203.623       424.2914 2770.563       473.3037 326.1414 22.31684 301.3015 27.07313 24.83990       35.08555 
1 1 1 25  3  2  o 207.9752 22.63601 1311.851       271.6475 1008.551       346.0681 1798.710       438.4564 178.1453 34.36882 240.4096 31.88264 -62.26430      46.87983 
1 1 1 25  3  3  o 240.8124 20.88073 1745.935       291.9886 1640.957       381.0177 1895.310       454.5016 230.7312 28.78122 246.7874 32.16714 -16.05617      43.16346 
1 1 1 25  3  4  o 248.5745 21.24191 1860.908       306.7062 1763.706       388.3300 2022.081       500.0476 239.5753 28.17618 254.0293 34.45137 -14.45393      44.50611 
1 1 1 25  3  5  o 93.37325 36.51634 181.1046       289.9826 35.75122       377.1923 391.1750       453.4532 92.15498 39.38152 122.4164 46.22311 -30.26139      60.72462 
1 1 1 25  3  6  o 126.1368 38.45668 503.3269       310.2694 243.9750       389.3233 954.7654       513.6473 107.2157 42.19703 169.1839 48.97396 -61.96819      64.64548 
1 1 1 25  3  7  f 123.6293 39.68129 475.2653       326.0092 570.7814       410.0972 311.2583       537.3775 135.0878 44.58737 122.6509 49.15014 12.43687       66.36090 
1 1 1 25  3  8  o 186.6312 32.60259 1094.805       343.8706 1062.591       443.6588 1143.277       544.2161 180.1453 42.65636 184.6332 49.32290 -4.487915      65.20976 
1 1 1 25  3  9  o 248.7602 27.06879 1891.373       388.5507 1575.116       507.6741 2338.594       603.7064 221.2331 40.62430 271.4506 39.04313 -50.21747      56.34447 
1 1 1 25  3  10 f 380.0826 20.61128 4325.780       457.7259 3660.464       612.1829 5169.280       689.3019 345.2408 30.54988 411.6950 28.72878 -66.45422      41.93611 
1 1 1 25  3  11 o 361.0350 21.07097 3908.851       444.2143 3838.728       595.2449 3996.990       667.3475 354.3555 28.89273 360.0306 31.93644 -5.675140      43.06653 
1 1 1 25  3  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  3  13 o 154.4855 51.06756 778.0766       537.8986 778.0766       537.8986 0.000000       0.000000 154.4855 51.06756 ?        ?        0.000000       51.06756 
1 1 1 25  3  14 o 422.4978 17.33245 5319.611       428.5602 5319.611       428.5602 0.000000       0.000000 422.4978 17.33245 ?        ?        0.000000       17.33245 
1 1 1 25  3  15 f 272.2272 24.74916 2257.422       390.8174 2257.422       390.8174 0.000000       0.000000 272.2272 24.74916 ?        ?        0.000000       24.74916 
1 1 1 25  3  16 o 185.4127 36.80279 1112.169       386.0703 1112.169       386.0703 0.000000       0.000000 185.4127 36.80279 ?        ?        0.000000       36.80279 
1 1 1 25  3  17 o 119.8329 47.75498 333.8795       504.4627 333.8795       504.4627 0.000000       0.000000 119.8329 47.75498 ?        ?        0.000000       47.75498 
1 1 1 25  3  18 o 147.2565 37.35197 715.4125       323.0193 985.0702       426.2098 351.4849       495.1361 170.8291 42.66977 119.9061 47.46381 50.92293       63.82416 
1 1 1 25  3  19 f 64.06730 30.03475 -252.1437      284.2921 -470.8321      357.4386 124.3943       469.0216 65.72996 31.61156 104.1239 44.18494 -38.39397      54.32863 
1 1 1 25  3  20 o 160.3034 29.20643 817.6665       264.4684 458.0847       348.8272 1303.788       405.5869 120.3283 41.13402 199.9697 35.90290 -79.64132      54.59877 
1 1 1 25  3  21 o 178.1618 24.04729 984.1205       244.8549 807.0701       350.3459 1153.178       342.3468 155.0152 38.66714 189.4951 31.93922 -34.47986      50.15239 
1 1 1 25  3  22 o 225.9705 29.59363 1619.539       382.7778 0.000000       0.000000 1619.539       382.7778 ?        ?        225.9705 29.59363 0.000000       29.59363 
1 1 1 25  3  23 o 78.12390 32.15549 92.15491       237.3150 401.1938       336.2909 -214.4084      334.9413 113.0752 40.27043 71.86493 33.32365 41.21024       52.27020 
1 1 1 25  3  24 o 168.3470 26.84707 905.1083       256.1686 851.6538       357.2859 961.6577       367.4836 156.6385 39.03458 167.1176 38.31393 -10.47908      54.69603 
1 1 1 25  3  25 o 134.1726 31.76316 606.1465       246.0420 496.8198       334.6596 734.7557       362.9745 119.7560 40.29658 142.8258 41.11610 -23.06982      57.57037 
1 1 1 25  3  26 o 73.40157 31.35423 50.19959       238.9140 422.6583       327.9346 -371.1124      348.7788 111.3493 39.75485 65.86543 31.55833 45.48392       50.75802 
1 1 1 25  3  27 o 254.1887 16.22474 1970.334       240.6087 1960.038       347.6324 1979.802       333.3604 247.8251 24.22707 250.0776 22.98639 -2.252548      33.39648 
1 1 1 25  3  28 o 69.27547 29.25501 61.21886       203.9610 -137.5861      283.5290 274.4339       293.6248 66.63165 30.81393 95.13714 36.87503 -28.50549      48.05482 
1 1 1 25  3  29 o 100.4256 31.81244 349.6191       210.0831 432.9590       289.9916 257.5727       304.7632 109.4562 37.50251 93.70873 37.19162 15.74744       52.81719 
1 1 1 25  3  30 o 103.1643 32.60839 377.9588       220.8355 285.8307       312.4915 469.8714       312.1258 95.46899 37.73315 111.9195 38.88268 -16.45054      54.18167 
1 1 1 25  3  31 o 236.9407 16.18117 1734.010       223.5042 1660.210       314.6784 1809.142       317.5060 224.9819 24.23053 235.8907 23.25243 -10.90884      33.58265 
1 1 1 25  3  32 o 91.49234 30.55210 292.8448       192.4125 339.2983       281.2154 251.9545       263.8397 97.49057 36.48813 88.95981 34.81938 8.530762       50.43583 
1 1 1 25  3  33 o 64.75115 27.58293 56.21090       183.9945 204.8267       265.9031 -80.32028      254.8630 84.38693 34.30230 64.17374 29.51050 20.21320       45.24950 
1 1 1 25  3  34 o 66.82343 28.00791 82.93170       184.7338 339.9324       276.5302 -124.2026      248.2570 95.79886 36.11322 60.69447 28.32718 35.10439       45.89764 
1 1 1 25  3  35 o 104.5734 30.34669 405.5468       196.9982 603.4295       304.5986 263.2601       258.2891 120.3399 38.32782 87.66149 34.40958 32.67842       51.50768 
1 1 1 25  3  36 o 61.25089 27.19826 5.628765       195.2331 -129.0221      272.2603 148.1557       280.1097 62.70723 29.39560 79.23122 33.89984 -16.52399      44.86982 
1 1 1 25  3  37 o 51.43181 24.71607 -221.3419      217.5397 -117.4584      313.2889 -318.0658      302.3006 66.94581 31.43029 58.32319 28.29660 8.622620       42.29138 
1 1 1 25  3  38 o 77.25971 32.22544 163.6142       242.7880 223.3762       331.5841 94.54369       356.4735 85.90269 36.82156 79.88065 36.01212 6.022049       51.50437 
1 1 1 25  4  0  o 78.69859 32.53072 69.41153       244.2750 -111.0482      315.3890 339.9665       386.1750 76.16801 34.14385 114.1455 42.75106 -37.97752      54.71248 
1 1 1 25  4  1  o 105.9469 35.64629 333.0880       261.8762 140.9190       327.1787 675.6899       436.8559 93.82062 38.08204 144.6640 45.88033 -50.84338      59.62588 
1 1 1 25  4  2  o 342.1082 16.53587 3482.147       330.7904 3653.183       433.2856 3243.173       512.1616 348.8022 21.28220 326.2285 27.01104 22.57364       34.38792 
1 1 1 25  4  3  o 180.0205 26.60778 999.2765       272.4661 1023.487       337.2965 953.8098       462.2261 179.9595 33.18069 169.5887 45.52369 10.37077       56.33262 
1 1 1 25  4  4  o 271.1282 19.86232 2204.564       313.6399 2109.246       398.3365 2360.056       508.7630 263.0364 26.16836 275.8650 32.04165 -12.82852      41.36968 
1 1 1 25  4  5  o 292.3389 19.28595 2557.763       328.8101 2539.625       417.0327 2587.567       534.5665 289.4018 24.80989 289.0266 32.07597 0.3752441      40.55119 
1 1 1 25  4  6  o 317.6376 19.77004 3020.220       366.4641 3050.902       468.5385 2971.875       588.1317 317.1746 25.40030 309.6095 32.89268 7.565063       41.55843 
1 1 1 25  4  7  o 163.6893 37.12915 862.1312       348.2175 868.7150       441.6787 851.3173       566.0520 162.3933 44.88110 161.0517 52.33896 1.341690       68.94694 
1 1 1 25  4  8  o 339.6324 20.57472 3456.176       407.8982 3524.589       539.0345 3364.513       623.9464 340.3023 27.23572 329.8187 32.68633 10.48367       42.54621 
1 1 1 25  4  9  o 344.5934 21.18920 3561.778       426.1541 2843.576       536.6870 4787.337       701.0755 304.0401 30.51004 395.2021 30.48332 -91.16199      43.12882 
1 1 1 25  4  10 o 297.3938 23.84067 2673.193       412.3354 2666.453       541.6303 2682.483       635.9113 293.5984 31.97148 291.4015 38.12284 2.196960       49.75466 
1 1 1 25  4  11 o 496.2844 25.91525 7454.159       751.6735 7454.159       751.6735 0.000000       0.000000 496.2844 25.91525 ?        ?        0.000000       25.91525 
1 1 1 25  4  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  4  14 o 143.4148 50.76986 639.9753       533.7929 639.9753       533.7929 0.000000       0.000000 143.4148 50.76986 ?        ?        0.000000       50.76986 
1 1 1 25  4  15 o 116.1630 42.70462 375.3049       382.0389 375.3049       382.0389 0.000000       0.000000 116.1630 42.70462 ?        ?        0.000000       42.70462 
1 1 1 25  4  16 o 261.5940 20.34348 2063.510       309.6551 2268.370       382.6858 1675.011       526.9968 272.8435 24.16505 226.0525 41.27130 46.79100       47.82541 
1 1 1 25  4  17 o 84.64616 35.90980 50.69048       309.6494 -323.2487      386.5489 720.3976       517.3047 74.90268 35.08477 147.3558 50.09777 -72.45308      61.16149 
1 1 1 25  4  18 o 75.27824 33.60604 -82.16941      302.1747 -216.5793      410.0394 77.58688       447.0323 81.82054 37.55401 99.91594 42.78946 -18.09540      56.93190 
1 1 1 25  4  19 o 172.2950 29.13693 939.7443       283.9343 1412.489       385.3696 378.3742       419.9417 210.4913 32.24247 116.9978 44.41273 93.49348       54.88231 
1 1 1 25  4  20 o 67.92131 30.50805 -88.14182      253.1871 -190.6189      352.8896 20.56970       363.4657 75.90224 34.83805 88.10693 38.16348 -12.20470      51.67341 
1 1 1 25  4  21 o 198.5765 22.82753 1213.566       261.0205 1875.434       361.7934 495.0785       376.9505 246.0876 25.43414 124.0714 42.74843 122.0162       49.74257 
1 1 1 25  4  22 o 164.0688 26.48617 850.1299       246.1789 948.0257       337.5190 738.8503       359.8522 169.2721 35.14960 146.8978 40.47692 22.37436       53.60854 
1 1 1 25  4  23 o 353.3562 13.77111 3726.708       284.8394 3837.317       404.8659 3618.302       400.8121 355.4758 19.49469 344.9062 19.89926 10.56958       27.85720 
1 1 1 25  4  24 o 83.26711 32.68381 160.6915       233.0254 -78.47308      326.0104 410.5248       333.2025 76.79216 34.54504 112.6972 40.09042 -35.90505      52.92071 
1 1 1 25  4  25 o 125.5267 31.22338 530.5938       228.9113 275.9658       304.1188 863.4276       347.6994 98.23527 37.67184 156.5520 38.21053 -58.31669      53.65829 
1 1 1 25  4  26 f 131.8708 29.37477 583.3264       221.3577 359.3394       299.9836 851.0731       327.9807 104.5775 37.93512 155.1480 36.63552 -50.57051      52.73742 
1 1 1 25  4  27 o 93.94288 36.61059 255.4438       290.6534 0.000000       0.000000 255.4438       290.6534 ?        ?        93.94288 36.61059 0.000000       36.61059 
1 1 1 25  4  28 o 82.61349 31.09881 198.5592       204.9073 233.8717       269.6956 150.3403       315.1502 90.18742 35.23174 86.78749 36.49164 3.399933       50.72391 
1 1 1 25  4  29 o 102.0715 30.83391 361.6913       200.0907 260.0224       254.9039 524.9023       322.9665 91.33157 34.61766 118.1430 39.58472 -26.81147      52.58643 
1 1 1 25  4  30 o 78.72318 30.76111 169.4223       205.6369 -3.247982      278.5314 376.3071       304.8805 72.41719 32.30095 102.8945 38.09229 -30.47730      49.94371 
1 1 1 25  4  31 o 102.0262 30.53778 370.7946       196.9304 277.4460       285.1399 455.9294       272.3064 92.50349 36.20020 109.8954 36.33518 -17.39191      51.29035 
1 1 1 25  4  32 o 48.53167 23.16973 -193.5876      184.3981 81.33076       277.0185 -412.3222      247.0959 76.52422 33.23091 49.65610 24.40637 26.86812       41.23062 
1 1 1 25  4  33 o 110.8324 28.17066 434.9035       183.4717 411.9802       268.8929 454.8728       250.9698 103.8138 36.08818 109.1248 34.79440 -5.311096      50.12991 
1 1 1 25  4  34 o 53.34335 24.89115 -115.5277      191.5234 192.5539       292.7457 -346.0677      253.2391 84.06835 35.24815 52.18584 25.44947 31.88251       43.47537 
1 1 1 25  4  35 o 63.18368 27.19923 48.72319       182.3877 138.8628       271.4961 -25.41518      246.2223 78.27488 33.42958 65.36108 29.65223 12.91380       44.68547 
1 1 1 25  4  36 o 132.0632 26.44255 611.8940       197.6536 450.8747       281.8914 767.6165       277.2161 105.1446 36.92263 140.9449 33.94368 -35.80028      50.15430 
1 1 1 25  4  37 o 64.06882 28.41771 21.94227       212.5381 -212.7669      307.4198 236.8504       294.1666 62.53032 29.87030 85.55239 35.56079 -23.02207      46.44142 
1 1 1 25  4  38 o 97.25684 32.54308 367.4124       218.2914 352.4134       314.2065 381.4060       303.4936 94.59312 37.69133 96.98277 37.51702 -2.389656      53.18048 
1 1 1 25  5  0  o 219.1771 20.19448 1446.274       256.6676 1641.474       320.5426 1097.490       428.4738 232.4759 23.84797 183.4492 40.87196 49.02676       47.32064 
1 1 1 25  5  1  o 423.3716 15.42866 5319.659       382.4490 5697.086       521.5714 4880.719       562.4703 436.2061 20.44474 402.1133 23.95930 34.09271       31.49660 
1 1 1 25  5  2  o 176.2111 27.42908 961.1631       274.2409 1162.759       336.5504 562.7817       473.1067 192.9720 30.77016 136.2464 47.83425 56.72557       56.87634 
1 1 1 25  5  3  o 298.8747 18.25354 2667.904       318.4275 2832.892       401.3983 2387.798       523.0097 306.5975 22.47945 277.1048 32.81850 29.49268       39.77913 
1 1 1 25  5  4  o 137.8425 34.39132 608.3199       277.1017 403.4353       332.9736 1069.860       499.7585 116.7392 40.17929 179.1179 46.99557 -62.37866      61.83008 
1 1 1 25  5  5  o 98.56304 36.67879 245.3478       283.3549 34.45211       354.8332 616.5464       470.7534 89.63224 38.24696 140.6047 47.79071 -50.97243      61.21096 
1 1 1 25  5  6  o 72.28055 33.00293 -176.0857      311.2399 74.04167       373.0092 -749.3635      564.7048 94.11312 39.64352 82.28828 39.61538 11.82484       56.04451 
1 1 1 25  5  7  o 107.5366 40.01146 298.3694       337.1587 188.3128       425.1822 484.8085       553.3955 106.4427 43.33567 134.4985 51.00040 -28.05577      66.92549 
1 1 1 25  5  8  o 202.6658 31.78160 1282.726       365.3406 1142.757       470.8493 1494.480       579.1395 186.4904 43.80093 212.0289 47.72794 -25.53845      64.78023 
1 1 1 25  5  9  o 498.7385 28.78769 7577.995       838.4573 0.000000       0.000000 7577.995       838.4573 ?        ?        498.7385 28.78769 0.000000       28.78769 
1 1 1 25  5  10 o 496.5973 24.51637 7438.530       711.8137 7438.530       711.8137 0.000000       0.000000 496.5973 24.51637 ?        ?        0.000000       24.51637 
1 1 1 25  5  11 o 582.9183 25.37633 10267.56       865.4565 10267.56       865.4565 0.000000       0.000000 582.9183 25.37633 ?        ?        0.000000       25.37633 
1 1 1 25  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  5  13 o 265.2137 32.67947 2195.078       497.5644 2195.078       497.5644 0.000000       0.000000 265.2137 32.67947 ?        ?        0.000000       32.67947 
1 1 1 25  5  14 o 164.2893 48.85546 909.9034       505.3084 909.9034       505.3084 0.000000       0.000000 164.2893 48.85546 ?        ?        0.000000       48.85546 
1 1 1 25  5  15 o 412.0440 18.37380 5076.329       442.8937 5076.329       442.8937 0.000000       0.000000 412.0440 18.37380 ?        ?        0.000000       18.37380 
1 1 1 25  5  16 f 146.1752 35.83420 696.1647       304.7880 658.2272       374.9371 770.0757       523.3334 141.2099 42.10604 151.8219 50.37817 -10.61200      65.65728 
1 1 1 25  5  17 o 94.83327 37.19782 197.4297       301.6580 -274.7197      367.7124 1169.149       527.5200 74.46646 34.66124 183.7404 48.31924 -109.2739      59.46553 
1 1 1 25  5  18 o 324.7087 15.79134 3147.713       299.8191 3429.044       371.4257 2621.572       507.9420 337.6951 18.82867 289.3415 30.38605 48.35358       35.74676 
1 1 1 25  5  19 o 255.3846 20.22718 1975.810       300.4843 1911.343       396.1297 2063.173       461.1382 247.7343 27.74050 255.4453 31.44376 -7.710999      41.93143 
1 1 1 25  5  20 o 287.5714 16.71420 2479.883       280.6765 2502.513       399.6950 2457.866       394.2342 285.5369 24.09258 283.0229 23.97641 2.514038       33.99001 
1 1 1 25  5  21 o 86.00478 34.23397 150.4567       258.9456 -118.6995      380.3075 383.0869       353.5622 82.22665 37.12153 113.1896 41.16562 -30.96297      55.43119 
1 1 1 25  5  22 o 274.8714 16.55257 2271.916       265.6003 2195.860       377.8217 2346.221       373.4475 266.3625 24.45879 276.0607 23.28296 -9.698273      33.76875 
1 1 1 25  5  23 o 75.35465 31.86435 51.94062       242.4919 -82.04857      346.9432 179.9124       339.0633 79.47852 35.70485 94.80151 38.66033 -15.32299      52.62563 
1 1 1 25  5  24 o 269.4620 15.76305 2189.422       248.0205 1904.808       339.8614 2513.690       362.7657 246.9888 23.75511 285.2756 21.84886 -38.28679      32.27504 
1 1 1 25  5  25 o 161.6094 24.83616 834.7390       227.8759 1203.050       315.8104 434.6984       329.1327 191.9777 28.94871 113.3225 39.88843 78.65526       49.28605 
1 1 1 25  5  26 o 119.0158 30.48476 481.9026       213.7038 412.5736       290.8569 563.2366       315.0345 109.4203 37.55625 124.8549 38.87380 -15.43460      54.05223 
1 1 1 25  5  27 o 130.7763 29.11337 578.5712       217.5492 619.7569       296.1226 530.2764       320.6628 130.7231 36.97765 120.3145 39.41256 10.40863       54.04347 
1 1 1 25  5  28 o 62.33118 30.06211 -378.4121      328.7146 0.000000       0.000000 -378.4121      328.7146 ?        ?        62.33118 30.06211 0.000000       30.06211 
1 1 1 25  5  29 o 62.20037 27.64659 -22.20307      202.2141 32.93990       263.6345 -101.0085      315.1629 73.55719 32.17204 71.58885 32.88220 1.968338       46.00304 
1 1 1 25  5  30 o 82.44731 30.73150 209.3628       199.0718 185.0758       269.4003 238.5760       295.4612 84.63577 34.48100 90.53010 36.38735 -5.894325      50.12962 
1 1 1 25  5  31 o 183.3911 19.09845 1063.934       202.4066 1238.084       292.2765 903.4503       280.5743 191.6908 26.72359 159.8078 31.05555 31.88297       40.97069 
1 1 1 25  5  32 o 71.69120 29.09813 120.8858       191.0068 339.7776       279.9331 -69.80570      261.2795 97.24553 36.40311 65.72782 30.09680 31.51771       47.23351 
1 1 1 25  5  33 o 70.81384 28.82747 118.6598       188.1255 -19.60601      265.5266 258.0206       266.5759 68.56396 30.97963 88.68314 34.91278 -20.11918      46.67590 
1 1 1 25  5  34 o 70.14207 28.87606 112.5066       191.4283 186.0529       291.6263 56.82425       253.7496 83.45157 35.09699 71.64567 31.44324 11.80590       47.12193 
1 1 1 25  5  35 o 59.66693 26.33903 8.487594       180.4739 74.60599       270.1759 -44.78575      242.5161 73.78107 32.41066 63.79839 29.13090 9.982685       43.57821 
1 1 1 25  5  36 o 61.30156 27.17161 9.738473       193.9776 -141.4233      288.2223 134.8971       262.2631 63.75981 30.00091 76.93034 32.85582 -13.17053      44.49224 
1 1 1 25  5  37 o 69.52801 29.04483 110.3509       197.6728 35.94488       278.8711 185.4875       280.2369 71.34453 32.03410 81.13037 34.27806 -9.785843      46.91662 
1 1 1 25  5  38 o 50.86266 24.52699 -235.8182      218.6022 -293.2676      328.9557 -190.3845      292.5391 61.70897 29.83828 61.68425 29.37476 0.2472687E-01  41.87122 
1 1 1 25  6  0  f 155.9536 27.74918 757.9495       244.4994 718.8730       300.0080 835.2365       421.9185 149.7203 34.82569 159.2100 43.81284 -9.489716      55.96779 
1 1 1 25  6  1  o 87.86416 34.12692 163.3177       251.8908 295.1554       298.4518 -163.1260      469.6329 104.3411 37.83975 91.82848 41.37224 12.51266       56.06700 
1 1 1 25  6  2  o 148.1105 32.31693 697.0313       272.8059 793.9561       327.2459 476.2130       493.9402 157.0909 36.25552 130.6653 48.46452 26.42560       60.52497 
1 1 1 25  6  3  o 270.5776 19.60463 2194.541       308.9908 2263.724       379.2209 2057.879       532.9854 273.4167 23.88890 255.2431 36.65524 18.17358       43.75256 
1 1 1 25  6  4  o 115.5001 36.98496 411.4111       283.3316 496.1285       342.4989 227.7470       504.2953 126.1129 40.69051 115.1908 47.08265 10.92215       62.22936 
1 1 1 25  6  5  o 113.7539 37.92806 389.8595       296.5521 621.2847       351.4737 -181.9834      552.4919 138.8530 40.60363 99.42739 44.82786 39.42556       60.48299 
1 1 1 25  6  6  o 60.31579 29.19751 -490.6577      317.2185 -474.1194      381.2592 -527.8624      571.8403 69.49754 33.21658 89.23363 42.07051 -19.73609      53.60288 
1 1 1 25  6  7  o 378.6272 18.58930 4276.682       411.5246 4426.505       524.5098 4036.766       663.7319 383.3117 23.44408 362.0776 31.57195 21.23413       39.32446 
1 1 1 25  6  8  o 260.3567 24.94468 2058.294       376.2348 1643.122       455.8482 2945.436       666.3505 228.4655 35.14577 305.6255 37.99392 -77.16006      51.75676 
1 1 1 25  6  9  o 446.4328 24.26114 6011.185       632.8236 6011.185       632.8236 0.000000       0.000000 446.4328 24.26114 ?        ?        0.000000       24.26114 
1 1 1 25  6  10 o 291.7371 29.41293 2614.155       496.3829 2614.155       496.3829 0.000000       0.000000 291.7371 29.41293 ?        ?        0.000000       29.41293 
1 1 1 25  6  11 o 290.0884 29.05429 2584.350       487.6551 2584.350       487.6551 0.000000       0.000000 290.0884 29.05429 ?        ?        0.000000       29.05429 
1 1 1 25  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  6  13 o 500.1180 22.33905 7528.374       653.5671 7528.374       653.5671 0.000000       0.000000 500.1180 22.33905 ?        ?        0.000000       22.33905 
1 1 1 25  6  14 o 262.6271 24.36118 2100.118       370.9452 2100.118       370.9452 0.000000       0.000000 262.6271 24.36118 ?        ?        0.000000       24.36118 
1 1 1 25  6  15 f 243.5829 27.68461 1831.721       388.4818 1831.721       388.4818 0.000000       0.000000 243.5829 27.68461 ?        ?        0.000000       27.68461 
1 1 1 25  6  16 o 219.7428 30.12153 1513.203       377.9826 1513.203       377.9826 0.000000       0.000000 219.7428 30.12153 ?        ?        0.000000       30.12153 
1 1 1 25  6  17 o 240.6481 21.12321 1757.014       295.0998 1639.931       360.8457 1993.441       512.7694 229.8862 27.29669 248.9405 36.18015 -19.05424      45.32232 
1 1 1 25  6  18 o 200.7508 22.69502 1234.857       262.5212 926.6197       323.1574 1833.025       450.1768 169.1627 33.75668 240.0561 32.83534 -70.89343      47.09217 
1 1 1 25  6  19 o 296.6762 15.39673 2629.060       266.9766 2633.910       338.1098 2621.028       435.0970 295.2743 19.63615 291.5421 25.71003 3.732178       32.35095 
1 1 1 25  6  20 o 42.11384 21.27969 -820.4588      253.3243 -1035.665      368.4188 -627.4654      348.8879 53.07173 26.66743 59.75439 29.29470 -6.682659      39.61479 
1 1 1 25  6  21 o 110.9067 33.59565 398.5666       237.3086 163.9713       367.8955 565.7314       310.5540 97.06874 40.00328 130.0396 38.20552 -32.97084      55.31659 
1 1 1 25  6  22 o 128.5383 32.52246 545.7188       245.3222 429.3521       366.0585 640.5941       330.5313 116.8678 41.96967 137.0650 39.16571 -20.19712      57.40562 
1 1 1 25  6  23 o 233.3053 18.64012 1655.983       252.9293 1962.273       371.4722 1391.259       345.3471 250.2102 25.67857 208.4428 29.03716 41.76746       38.76268 
1 1 1 25  6  24 o 145.8715 27.71957 691.4742       228.4744 561.8652       324.5545 818.8038       321.6878 126.8145 39.45250 154.2867 36.18193 -27.47211      53.53160 
1 1 1 25  6  25 o 72.90865 30.47019 73.14029       217.6900 -71.30070      300.5711 232.4942       315.7065 73.24047 33.03883 94.90090 37.79198 -21.66043      50.19759 
1 1 1 25  6  26 o 53.92526 25.51316 -203.7053      213.7412 -87.40630      315.6390 -302.2016      290.4776 73.52216 33.44033 60.82949 29.05172 12.69267       44.29738 
1 1 1 25  6  27 o 63.69364 28.17858 -18.28243      207.6594 -72.16122      287.4084 40.56556       300.3698 70.62746 32.03942 78.58908 34.35738 -7.961617      46.97823 
1 1 1 25  6  28 o 72.97345 30.18424 97.27335       210.4969 117.4526       290.7412 75.04342       305.1569 82.28559 34.84735 80.71886 34.96594 1.566734       49.36553 
1 1 1 25  6  29 o 86.84325 31.44958 241.1403       206.0661 352.6738       284.6198 118.2695       298.7353 100.9079 36.89849 82.46647 35.13845 18.44144       50.95301 
1 1 1 25  6  30 o 182.0711 19.77784 1049.991       207.7996 1013.374       286.1917 1090.820       302.2079 171.5260 29.51388 177.5688 30.09294 -6.042786      42.15038 
1 1 1 25  6  31 o 73.95211 29.44529 140.5488       191.6254 -52.30221      267.7553 343.0371       274.3640 67.68327 30.79043 97.97430 36.15992 -30.29104      47.49306 
1 1 1 25  6  32 o 69.09023 28.62586 95.75932       189.7593 162.2277       268.6117 29.53938       268.1093 81.40356 33.92039 72.14156 31.96207 9.262001       46.60651 
1 1 1 25  6  33 o 121.5071 27.38430 517.8056       190.4565 365.6760       269.5504 669.4750       269.1425 98.64705 35.93362 132.5559 34.34513 -33.90883      49.70727 
1 1 1 25  6  34 o 57.93325 26.28382 -43.84546      193.4897 -22.29537      293.0594 -60.49916      257.6242 70.59798 32.15372 64.93116 29.78916 5.666817       43.83213 
1 1 1 25  6  35 o 85.64268 30.41424 260.0940       191.6956 286.2192       281.0983 237.3816       262.0953 90.08221 35.72934 85.32308 34.27930 4.759125       49.51420 
1 1 1 25  6  36 o 51.39393 24.28713 -146.6056      192.6341 -65.56995      294.0175 -207.5533      254.9846 67.70139 31.33323 57.07283 27.24697 10.62856       41.52311 
1 1 1 25  6  37 o 97.17060 30.40882 356.5969       192.5121 307.4823       290.3865 395.1094       257.1413 90.85854 36.22417 99.18855 35.22541 -8.330009      50.52741 
1 1 1 25  6  38 o 151.6309 24.46553 792.6061       210.1634 601.8428       346.1299 904.0031       264.5015 114.5879 40.85034 156.6438 29.88157 -42.05591      50.61283 
1 1 1 25  7  0  o 279.8637 15.34105 2328.067       250.8349 2641.926       362.9597 2041.130       347.0435 296.4964 21.00924 259.7748 23.01705 36.72162       31.16364 
1 1 1 25  7  1  o 350.8852 16.48854 3662.460       338.3618 3592.354       412.2653 3807.147       592.2617 346.2029 20.39501 352.6843 28.88655 -6.481445      35.36084 
1 1 1 25  7  2  o 52.71609 25.71876 -458.5823      259.3922 -691.1331      303.6490 169.3479       498.9633 52.57868 26.06525 111.3245 46.29682 -58.74583      53.12997 
1 1 1 25  7  3  o 216.0740 24.05533 1420.144       299.6722 1411.421       361.8753 1439.182       534.5878 213.4416 29.71320 209.0157 44.94673 4.425873       53.88026 
1 1 1 25  7  4  o 244.4352 22.69681 1806.178       321.6544 1824.270       397.4965 1771.859       547.4667 243.6723 28.34320 234.3851 41.33722 9.287231       50.12088 
1 1 1 25  7  5  o 267.8205 21.81382 2160.514       339.6659 1894.931       404.2520 2798.250       626.4294 248.4661 28.24237 298.4579 36.55003 -49.99179      46.19022 
1 1 1 25  7  6  o 229.8994 25.11807 1609.726       333.1645 1944.238       401.3815 868.7266       597.3934 251.9784 27.61254 162.6878 53.81924 89.29063       60.48936 
1 1 1 25  7  7  o 247.0412 24.95426 1855.052       356.5957 1419.855       419.7887 2983.007       675.8245 212.1308 34.95917 307.3775 38.31955 -95.24670      51.87033 
1 1 1 25  7  8  o 319.3749 20.76759 3059.696       386.8795 2954.105       472.9685 3273.201       672.5482 311.7765 26.10601 323.3401 36.08021 -11.56357      44.53431 
1 1 1 25  7  9  o 534.5526 23.69491 8603.115       740.9952 8603.115       740.9952 0.000000       0.000000 534.5526 23.69491 ?        ?        0.000000       23.69491 
1 1 1 25  7  10 o 764.3316 28.69856 17789.33       1284.164 17789.33       1284.164 0.000000       0.000000 764.3316 28.69856 ?        ?        0.000000       28.69856 
1 1 1 25  7  11 o 341.6420 29.44423 3583.055       584.2086 3583.055       584.2086 0.000000       0.000000 341.6420 29.44423 ?        ?        0.000000       29.44423 
1 1 1 25  7  12 o 277.7351 22.94091 2333.864       370.3437 2333.864       370.3437 0.000000       0.000000 277.7351 22.94091 ?        ?        0.000000       22.94091 
1 1 1 25  7  13 o 301.6052 30.05430 2812.197       524.5447 2812.197       524.5447 0.000000       0.000000 301.6052 30.05430 ?        ?        0.000000       30.05430 
1 1 1 25  7  14 o 319.0946 21.10540 3067.916       392.7502 3067.916       392.7502 0.000000       0.000000 319.0946 21.10540 ?        ?        0.000000       21.10540 
1 1 1 25  7  15 o 452.0052 16.95025 6095.242       448.5386 6095.242       448.5386 0.000000       0.000000 452.0052 16.95025 ?        ?        0.000000       16.95025 
1 1 1 25  7  16 o 121.6082 37.98872 475.2401       300.5862 429.0181       379.3112 553.2646       492.8180 119.6847 42.75295 133.9817 48.61936 -14.29703      64.74300 
1 1 1 25  7  17 o 331.0990 16.09687 3274.395       311.6353 3243.200       386.9481 3331.976       525.7216 327.7952 20.22646 328.3423 27.55495 -0.5470581     34.18165 
1 1 1 25  7  18 o 132.0091 34.34678 570.5634       268.4173 570.4929       328.2488 570.7058       466.3188 131.3439 39.45208 133.5681 47.43623 -2.224136      61.69816 
1 1 1 25  7  19 o 205.2675 22.01353 1289.709       260.8739 1190.637       323.4023 1474.259       441.3937 194.0595 29.32991 212.3074 36.78141 -18.24788      47.04377 
1 1 1 25  7  20 o 49.89208 24.33691 -398.9630      231.9897 6.314019       310.1495 -913.7117      349.5367 81.10352 35.19113 53.08219 26.57318 28.02133       44.09705 
1 1 1 25  7  21 o 150.5351 29.62890 730.1887       252.2618 944.7335       372.7617 548.9138       342.6425 167.1291 38.78083 127.9946 40.63765 39.13453       56.17269 
1 1 1 25  7  22 o 124.9983 33.47648 519.5213       250.3086 155.2570       350.8094 897.3011       357.2583 94.26943 38.97731 162.3698 38.16537 -68.10040      54.55114 
1 1 1 25  7  23 o 47.02581 23.23094 -483.8280      233.6235 -739.0668      344.4070 -266.2807      317.9622 55.72347 27.64771 67.06593 31.54225 -11.34245      41.94413 
1 1 1 25  7  24 o 238.0777 16.54719 1719.452       229.6055 1651.271       317.9947 1793.713       331.8721 229.1477 24.01862 238.9119 24.01071 -9.764206      33.96187 
1 1 1 25  7  25 o 87.92319 31.92932 232.2817       212.5964 139.5689       298.2230 328.0838       303.1509 86.15486 35.80767 102.0113 37.94296 -15.85641      52.17142 
1 1 1 25  7  26 o 170.8401 22.22124 925.4668       217.3720 922.4616       308.9842 928.4116       305.8605 163.3316 33.38462 164.2233 32.90443 -0.8917389     46.87467 
1 1 1 25  7  27 o 45.62609 22.36375 -354.5614      203.0115 -431.9071      282.0526 -271.4185      292.4319 54.79302 26.75091 61.87887 29.43968 -7.085850      39.77821 
1 1 1 25  7  28 o 72.00085 29.87122 91.41386       207.0100 -180.2994      295.9357 351.7566       289.6774 65.88030 30.80663 101.4955 37.20691 -35.61523      48.30531 
1 1 1 25  7  29 o 51.35268 24.48335 -212.9699      204.4497 -189.2191      290.4507 -236.2952      287.8379 64.41589 30.24899 62.09389 29.44527 2.321995       42.21404 
1 1 1 25  7  30 o 52.38385 24.80523 -180.6652      202.8705 -201.9108      294.1520 -161.3922      280.1634 63.81057 30.11159 63.92495 29.91895 -0.1143799     42.44822 
1 1 1 25  7  31 f 127.1217 28.00821 561.6073       203.1672 639.8387       296.8524 492.6738       278.6538 128.3622 37.25265 113.2298 36.71655 15.13235       52.30550 
1 1 1 25  7  32 o 73.54933 29.40502 140.7903       191.8826 72.46268       265.7032 215.2665       277.4006 74.56258 32.46025 85.94315 34.99837 -11.38056      47.73420 
1 1 1 25  7  33 o 70.87435 29.35335 110.2713       199.4164 220.3729       276.9096 -8.345972      287.4188 85.61283 34.92842 71.14687 32.18090 14.46596       47.49321 
1 1 1 25  7  34 o 97.74575 31.21776 354.9594       201.9597 232.1194       310.7310 444.8055       265.7446 87.34669 36.44658 105.9235 35.90811 -18.57685      51.16391 
1 1 1 25  7  35 o 65.63333 28.14756 63.61095       193.9455 114.7822       294.7681 24.54726       257.5456 78.06688 34.08421 69.37639 30.99457 8.690491       46.06947 
1 1 1 25  7  36 o 52.98576 24.91484 -130.8821      198.1992 124.1292       325.2689 -281.4840      249.9644 80.02164 35.34064 53.48481 25.89736 26.53683       43.81363 
1 1 1 25  7  37 o 47.22586 22.79423 -221.8108      189.8599 -308.7816      298.1096 -162.4609      246.2632 58.04889 28.14855 57.68026 27.31807 0.3686218      39.22522 
1 1 1 25  7  38 o 69.95635 29.12431 118.8246       197.7655 -30.64592      295.9407 239.4354       265.8397 68.84956 31.71121 84.10915 34.25765 -15.25958      46.68176 
1 1 1 25  8  0  o 185.5788 20.49565 1040.797       219.3577 1494.213       312.9043 602.6191       307.6011 221.5090 24.49503 136.7755 37.31745 84.73347       44.63853 
1 1 1 25  8  1  o 185.9847 26.83400 1066.291       284.2384 1320.237       333.4087 390.7326       543.7983 206.8194 28.22306 127.6901 49.98559 79.12928       57.40296 
1 1 1 25  8  2  o 83.07354 34.31630 80.60294       271.5819 -250.8523      318.6668 960.2534       519.1339 69.71811 32.38849 169.4432 49.28949 -99.72511      58.97853 
1 1 1 25  8  3  o 165.6169 30.72045 861.5309       287.4049 852.2260       333.2733 888.5286       567.6812 163.0367 35.83419 163.7121 52.34416 -0.6754150     63.43501 
1 1 1 25  8  4  o 334.3672 18.66991 3338.772       364.6602 3543.092       445.6181 2924.589       634.4606 343.1898 22.26011 305.3807 36.12381 37.80914       42.43162 
1 1 1 25  8  5  o 158.9829 34.98082 808.0969       317.2896 871.5232       376.7017 653.2319       588.6256 163.7882 39.64630 147.1543 53.17222 16.63388       66.32582 
1 1 1 25  8  6  o 319.5947 20.33575 3061.008       379.1855 2846.242       450.7795 3580.681       701.2092 306.3205 25.31803 338.4619 35.87082 -32.14136      43.90578 
1 1 1 25  8  7  o 320.9811 20.67229 3090.118       387.0822 2931.826       470.7275 3420.664       680.2314 310.5752 26.08435 330.8239 35.62045 -20.24869      44.14986 
1 1 1 25  8  8  o 270.8601 30.74821 2266.425       479.8117 2266.425       479.8117 0.000000       0.000000 270.8601 30.74821 ?        ?        0.000000       30.74821 
1 1 1 25  8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  8  10 o 394.6010 23.76999 4700.809       547.5444 4700.809       547.5444 0.000000       0.000000 394.6010 23.76999 ?        ?        0.000000       23.76999 
1 1 1 25  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  8  12 o 486.3891 25.49791 7179.957       724.8023 7179.957       724.8023 0.000000       0.000000 486.3891 25.49791 ?        ?        0.000000       25.49791 
1 1 1 25  8  13 o 317.3757 34.87235 3169.660       638.4101 3169.660       638.4101 0.000000       0.000000 317.3757 34.87235 ?        ?        0.000000       34.87235 
1 1 1 25  8  14 o 388.0753 24.42222 4575.668       553.0237 4575.668       553.0237 0.000000       0.000000 388.0753 24.42222 ?        ?        0.000000       24.42222 
1 1 1 25  8  15 o 292.7610 23.58814 2609.894       401.5764 2609.894       401.5764 0.000000       0.000000 292.7610 23.58814 ?        ?        0.000000       23.58814 
1 1 1 25  8  16 o 206.9223 32.22563 1360.933       378.3437 1360.933       378.3437 0.000000       0.000000 206.9223 32.22563 ?        ?        0.000000       32.22563 
1 1 1 25  8  17 o 131.2155 40.11467 567.7561       337.2977 567.7561       337.2977 0.000000       0.000000 131.2155 40.11467 ?        ?        0.000000       40.11467 
1 1 1 25  8  18 o 411.1262 13.38764 5021.603       322.3667 5173.350       401.4499 4746.112       540.9100 415.9108 16.49082 394.3972 23.49162 21.51361       28.70197 
1 1 1 25  8  19 o 57.48553 27.38472 -297.5559      254.6934 -385.6458      319.7896 -144.7542      421.1778 63.50582 30.37139 85.66592 38.83121 -22.16010      49.29791 
1 1 1 25  8  20 o 64.74781 29.11599 -83.58849      231.3483 -85.70101      305.2305 -80.73643      354.6562 74.93671 33.59087 81.17525 36.31117 -6.238533      49.46563 
1 1 1 25  8  21 o 233.2059 20.37428 1659.525       275.8630 2478.457       422.5816 1051.365       364.1628 282.2170 25.81721 177.6933 36.17528 104.5238       44.44299 
1 1 1 25  8  22 o 52.87418 25.71107 -402.0679      253.3737 -204.1550      366.6729 -582.9294      350.5215 75.95190 35.09504 60.67334 29.66470 15.27856       45.95276 
1 1 1 25  8  23 o 77.62166 31.46798 112.1624       223.0814 182.1149       313.5874 40.49090       317.4171 92.03723 37.31028 82.55806 35.71212 9.479172       51.64700 
1 1 1 25  8  24 o 76.95587 31.25014 113.9100       220.4287 207.7433       307.3278 14.49657       316.3338 92.64507 37.15451 80.11115 35.13442 12.53393       51.13595 
1 1 1 25  8  25 o 90.99731 31.80884 262.3576       209.0619 -19.65695      295.5673 544.7192       295.7491 75.15417 33.41316 123.4846 37.52552 -48.33038      50.24544 
1 1 1 25  8  26 o 62.78917 27.86245 -26.12085      204.5385 109.1540       291.5298 -157.2654      287.0446 82.48440 34.91137 66.39482 30.80853 16.08958       46.56146 
1 1 1 25  8  27 o 168.1437 21.89025 900.4955       210.7451 963.1108       299.1827 838.8290       296.9073 167.2392 31.66244 154.2263 33.76397 13.01288       46.28732 
1 1 1 25  8  28 o 126.2464 28.58792 544.5120       206.7304 783.1978       294.1372 311.5057       290.6166 147.6273 34.58269 97.55877 36.96659 50.06855       50.62106 
1 1 1 25  8  29 o 100.2848 31.47170 353.9314       206.0587 244.1470       295.8617 457.3495       287.1552 91.17561 36.49242 110.8511 37.32728 -19.67549      52.20175 
1 1 1 25  8  30 o 59.34797 26.98560 -61.61085      205.3624 244.9739       302.0287 -325.2283      280.0657 90.57488 36.65294 57.17084 27.61654 33.40404       45.89238 
1 1 1 25  8  31 o 153.3782 23.41004 776.2710       203.9180 757.9044       297.2138 792.6063       280.2964 141.2793 35.82517 147.0274 33.28402 -5.748108      48.90060 
1 1 1 25  8  32 o 89.30902 35.26266 260.0284       272.6598 0.000000       0.000000 260.0284       272.6598 ?        ?        89.30902 35.26266 0.000000       35.26266 
1 1 1 25  8  33 o 51.32430 24.51772 -202.3014      207.1361 -376.1413      294.7898 -32.76949      291.1142 56.42158 27.50249 70.04411 31.95740 -13.62253      42.16233 
1 1 1 25  8  34 o 70.99988 29.52853 113.8844       202.9943 -50.74787      300.0036 252.9127       275.6897 69.49649 31.97977 87.31483 35.13005 -17.81834      47.50606 
1 1 1 25  8  35 o 68.68309 28.58532 103.4355       190.4278 61.32476       296.7525 132.9156       248.2921 74.87703 33.37318 75.91740 32.17911 -1.040367      46.36016 
1 1 1 25  8  36 o 48.97498 23.62788 -231.0527      203.4473 -363.6912      348.8521 -162.6898      250.4474 61.67524 30.03096 58.29010 27.58980 3.385136       40.78058 
1 1 1 25  8  37 o 86.53625 31.27088 274.6910       203.5913 9.969138       326.7336 442.7103       260.3025 73.63539 33.69454 103.9735 35.53352 -30.33810      48.96889 
1 1 1 25  8  38 o 60.25600 27.08270 -6.289418      199.8876 77.65479       309.1043 -66.62347      262.0541 75.35439 33.78878 63.69643 29.51502 11.65796       44.86444 
1 1 1 25  9  0  f 147.6783 38.36373 706.6288       335.2214 0.000000       0.000000 706.6288       335.2214 ?        ?        147.6783 38.36373 0.000000       38.36373 
1 1 1 25  9  1  o 167.6242 24.73824 863.0399       235.8960 1024.949       318.4596 666.1899       351.1450 180.8120 31.15595 143.3362 40.16940 37.47581       50.83575 
1 1 1 25  9  2  o 58.33276 27.84997 -336.4184      266.4711 -242.3109      297.9963 -711.9341      595.2683 67.17108 31.24436 86.24930 41.29910 -19.07822      51.78635 
1 1 1 25  9  3  o 443.2627 16.62619 5840.254       431.4536 5682.842       528.1315 6156.116       748.1194 435.6161 20.73174 449.3192 28.53746 -13.70313      35.27311 
1 1 1 25  9  4  o 371.3470 17.24997 4105.383       374.6541 3757.083       443.3695 4975.135       700.6264 353.7433 21.47223 403.0592 29.85112 -49.31586      36.77153 
1 1 1 25  9  5  o 290.9850 20.79689 2542.526       352.5711 2124.899       408.9837 3750.908       695.6873 263.8014 26.80684 347.1062 34.63635 -83.30481      43.79821 
1 1 1 25  9  6  o 341.0204 19.29770 3477.266       384.3798 3330.548       462.6525 3804.227       690.6533 332.0130 23.92050 349.8410 34.09399 -17.82797      41.64841 
1 1 1 25  9  7  o 59.17788 28.90158 -584.2979      330.0439 -402.0917      379.5272 -1149.562      668.4780 71.73996 33.95812 83.15443 40.72154 -11.41447      53.02261 
1 1 1 25  9  8  o 204.8335 34.37372 1325.363       398.3178 1325.363       398.3178 0.000000       0.000000 204.8335 34.37372 ?        ?        0.000000       34.37372 
1 1 1 25  9  9  o 646.4993 24.90865 12625.97       942.6609 12625.97       942.6609 0.000000       0.000000 646.4993 24.90865 ?        ?        0.000000       24.90865 
1 1 1 25  9  10 o 221.3936 30.47394 1524.793       385.1945 1524.793       385.1945 0.000000       0.000000 221.3936 30.47394 ?        ?        0.000000       30.47394 
1 1 1 25  9  11 o 558.2177 23.12411 9395.557       755.4012 9395.557       755.4012 0.000000       0.000000 558.2177 23.12411 ?        ?        0.000000       23.12411 
1 1 1 25  9  12 o 245.9039 24.62455 1844.923       350.3548 1844.923       350.3548 0.000000       0.000000 245.9039 24.62455 ?        ?        0.000000       24.62455 
1 1 1 25  9  13 o 115.9587 40.83181 397.9063       344.9088 397.9063       344.9088 0.000000       0.000000 115.9587 40.83181 ?        ?        0.000000       40.83181 
1 1 1 25  9  14 o 265.6494 23.80882 2151.493       367.0050 2151.493       367.0050 0.000000       0.000000 265.6494 23.80882 ?        ?        0.000000       23.80882 
1 1 1 25  9  15 o 322.5616 21.13264 3146.066       397.5746 3146.066       397.5746 0.000000       0.000000 322.5616 21.13264 ?        ?        0.000000       21.13264 
1 1 1 25  9  16 o 100.8591 39.67931 230.4449       344.1299 230.4449       344.1299 0.000000       0.000000 100.8591 39.67931 ?        ?        0.000000       39.67931 
1 1 1 25  9  17 o 80.05169 35.29435 -41.52556      323.1232 -41.52556      323.1232 0.000000       0.000000 80.05169 35.29435 ?        ?        0.000000       35.29435 
1 1 1 25  9  18 o 56.71714 27.12898 -319.3103      255.3690 -419.8857      312.9850 -119.0176      441.6828 61.38636 29.53744 89.03188 40.11636 -27.64551      49.81749 
1 1 1 25  9  19 o 57.36253 27.08951 -243.0010      238.9087 -458.3219      287.9100 233.0799       428.1087 56.45026 27.44027 106.6783 43.46472 -50.22804      51.40185 
1 1 1 25  9  20 o 120.7656 33.73809 480.4097       248.1202 609.6914       327.0799 305.1684       380.8058 134.3461 39.13643 107.9786 41.95479 26.36756       57.37477 
1 1 1 25  9  21 o 158.1983 26.31285 793.6121       235.5576 605.1105       310.7619 1048.189       361.1437 133.5071 37.91980 177.1867 35.98320 -43.67963      52.27525 
1 1 1 25  9  22 o 82.89054 32.34920 160.5213       227.1871 67.90390       300.2148 284.6384       347.5373 82.93574 35.27798 102.9823 40.06152 -20.04652      53.38034 
1 1 1 25  9  23 o 83.23514 32.67576 164.6407       232.9381 167.2575       347.6776 162.5093       313.7735 93.30548 38.71115 90.19023 37.03235 3.115250       53.57190 
1 1 1 25  9  24 o 189.6783 20.07224 1116.524       219.9035 1201.588       302.6383 1021.375       320.0747 192.3768 27.61439 173.9299 32.57490 18.44695       42.70455 
1 1 1 25  9  25 o 197.8407 19.26172 1214.390       220.6654 1456.287       304.3467 946.2861       320.4084 213.1445 24.81015 165.0614 34.22278 48.08301       42.26987 
1 1 1 25  9  26 o 182.2514 20.02798 1040.617       210.5478 899.5858       295.8175 1185.413       299.7404 161.3998 32.37875 189.3861 27.81472 -27.98633      42.68539 
1 1 1 25  9  27 o 105.6031 31.00731 387.5385       204.6091 423.7104       292.1986 352.7383       286.6044 108.7140 37.62895 101.6385 37.04842 7.075455       52.80647 
1 1 1 25  9  28 o 150.9280 24.20830 745.1140       207.0396 804.2844       295.7701 688.2634       289.9142 149.4342 34.45335 136.9215 35.73075 12.51271       49.63587 
1 1 1 25  9  29 o 93.08614 31.67150 298.7712       206.7558 237.9314       296.8018 356.1285       288.1823 90.38826 36.42094 100.3679 37.05648 -9.979591      51.95832 
1 1 1 25  9  30 o 52.59368 24.78748 -159.1161      198.2001 -142.9396      291.1708 -173.0833      270.5574 65.78588 30.69500 61.97565 29.13190 3.810230       42.31844 
1 1 1 25  9  31 o 62.01556 27.63781 -12.64743      203.4640 -205.6980      291.8488 169.9054       283.8029 62.82555 29.75028 83.05786 34.75690 -20.23232      45.75064 
1 1 1 25  9  32 o 60.50116 27.18103 -25.65524      201.0969 -166.3948      292.1674 101.0427       277.2097 64.13065 30.18476 77.11594 33.36588 -12.98529      44.99335 
1 1 1 25  9  33 o 58.75437 27.05351 -78.86380      215.1666 99.78735       331.2793 -209.2192      282.9800 80.39301 35.57758 60.91384 28.97471 19.47917       45.88353 
1 1 1 25  9  34 o 122.1247 28.76129 539.7128       202.5739 309.4341       316.3089 699.8374       263.7627 92.77257 37.52126 135.0759 33.46813 -42.30333      50.27883 
1 1 1 25  9  35 o 114.5578 29.19188 481.9436       196.6640 425.4961       304.2823 522.4401       257.7288 101.9072 37.99238 114.1394 35.09746 -12.23212      51.72284 
1 1 1 25  9  36 o 69.21161 29.56699 91.53899       212.4860 -401.0573      351.0295 376.4176       266.9488 60.71159 29.68399 97.04823 35.69392 -36.33664      46.42408 
1 1 1 25  9  37 o 66.03982 28.23343 75.74358       194.0159 41.04681       325.1826 94.92175       241.7610 74.99045 34.04287 71.83291 31.11967 3.157539       46.12321 
1 1 1 25  10 0  o 199.2876 21.23455 1200.843       244.3660 1439.068       329.7001 910.4517       364.0135 216.6681 26.49690 167.8695 37.87721 48.79857       46.22519 
1 1 1 25  10 1  o 119.8988 31.20836 456.0049       221.5464 500.0175       288.3319 392.5657       346.1647 125.3695 36.80776 116.3446 40.91116 9.024925       55.03212 
1 1 1 25  10 2  o 412.0967 16.83821 5051.130       406.0970 4945.663       486.1322 5294.699       738.7639 406.4019 20.46198 415.3600 30.54061 -8.958130      36.76168 
1 1 1 25  10 3  o 380.9517 17.39192 4321.815       387.5439 3914.916       453.9414 5415.596       744.2542 361.0529 21.53556 420.1724 30.40827 -59.11945      37.26182 
1 1 1 25  10 4  o 220.3718 25.48647 1483.150       323.3306 1328.035       367.0798 2020.022       682.9181 206.2998 31.32287 246.2520 49.01076 -39.95216      58.16508 
1 1 1 25  10 5  o 360.0596 18.43289 3869.462       387.9453 3902.690       466.3174 3794.767       699.1587 360.2025 22.18177 348.9995 34.61423 11.20291       41.11175 
1 1 1 25  10 6  o 153.2457 56.60268 708.2407       672.4968 0.000000       0.000000 708.2407       672.4968 ?        ?        153.2457 56.60268 0.000000       56.60268 
1 1 1 25  10 7  o 133.4512 42.83105 564.3728       379.8227 564.3728       379.8227 0.000000       0.000000 133.4512 42.83105 ?        ?        0.000000       42.83105 
1 1 1 25  10 8  o 491.8919 22.13717 7271.582       636.9832 7271.582       636.9832 0.000000       0.000000 491.8919 22.13717 ?        ?        0.000000       22.13717 
1 1 1 25  10 9  o 198.6089 34.75851 1252.991       390.1248 1252.991       390.1248 0.000000       0.000000 198.6089 34.75851 ?        ?        0.000000       34.75851 
1 1 1 25  10 10 o 326.5591 23.82654 3231.339       453.1841 3231.339       453.1841 0.000000       0.000000 326.5591 23.82654 ?        ?        0.000000       23.82654 
1 1 1 25  10 11 o 267.9662 22.41951 2174.006       349.1093 2174.006       349.1093 0.000000       0.000000 267.9662 22.41951 ?        ?        0.000000       22.41951 
1 1 1 25  10 12 o 204.6694 28.51726 1302.619       333.0205 1302.619       333.0205 0.000000       0.000000 204.6694 28.51726 ?        ?        0.000000       28.51726 
1 1 1 25  10 13 o 302.0799 20.71761 2752.364       364.8165 2752.364       364.8165 0.000000       0.000000 302.0799 20.71761 ?        ?        0.000000       20.71761 
1 1 1 25  10 14 o 220.6988 48.17888 1672.364       606.0649 1672.364       606.0649 0.000000       0.000000 220.6988 48.17888 ?        ?        0.000000       48.17888 
1 1 1 25  10 15 f 230.7865 27.26293 1653.952       361.8910 1653.952       361.8910 0.000000       0.000000 230.7865 27.26293 ?        ?        0.000000       27.26293 
1 1 1 25  10 16 o 258.4127 23.00340 2040.365       344.9832 2040.365       344.9832 0.000000       0.000000 258.4127 23.00340 ?        ?        0.000000       23.00340 
1 1 1 25  10 17 o 110.7271 35.47588 389.7263       260.6556 73.27482       315.2023 1074.202       463.5695 86.27854 36.39827 176.4859 44.73547 -90.20737      57.67232 
1 1 1 25  10 18 o 71.77055 31.31236 -16.57062      248.3834 -171.3131      291.5040 393.5083       474.5406 68.72305 31.58717 120.2943 46.80800 -51.57121      56.46892 
1 1 1 25  10 19 o 205.0009 26.49533 1314.960       311.1059 1314.960       311.1059 0.000000       0.000000 205.0009 26.49533 ?        ?        0.000000       26.49533 
1 1 1 25  10 20 o 338.2875 14.34805 3417.807       284.0155 3398.592       367.0014 3446.497       448.4474 335.1994 18.74335 335.0284 22.96218 0.1710205      29.64076 
1 1 1 25  10 21 o ?        ?        -995.6879      225.2096 -842.6296      306.1630 -1176.154      332.4471 48.68530 24.44232 46.10477 23.41315 2.580524       33.84676 
1 1 1 25  10 22 o 175.8559 21.88246 962.3922       220.8171 1043.255       291.5818 853.6521       338.1277 179.7352 28.62041 157.4440 37.21140 22.29120       46.94482 
1 1 1 25  10 23 o 58.51437 26.67904 -94.82464      202.4530 37.78786       278.3441 -243.7881      295.0052 77.51389 33.48586 64.39262 30.31517 13.12127       45.16982 
1 1 1 25  10 24 f 68.66978 29.15347 45.83747       204.3461 177.8476       275.5965 -115.3620      304.5453 87.04996 35.08872 71.06586 32.52312 15.98410       47.84319 
1 1 1 25  10 25 o 244.2222 16.15692 1819.609       230.1155 2142.832       334.0376 1527.671       317.4598 260.8940 22.03725 217.6438 25.34456 43.25017       33.58552 
1 1 1 25  10 26 o 83.36858 31.39540 202.8636       208.8796 418.7222       297.7359 -6.352518      293.1190 108.6122 37.96042 74.75784 33.25349 33.85432       50.46571 
1 1 1 25  10 27 o 105.1020 31.72442 386.4823       211.8745 319.5284       300.7162 452.4825       298.5670 98.74716 37.55991 111.3489 38.05568 -12.60172      53.46944 
1 1 1 25  10 28 o 225.8415 16.99974 1576.912       223.5100 1910.846       329.8021 1293.262       303.9588 243.3336 23.39813 196.9367 27.02940 46.39690       35.74998 
1 1 1 25  10 29 o 61.41802 27.50442 -28.62815      204.1032 147.1777       303.6707 -173.4869      275.6504 83.70638 35.53831 62.79449 29.48148 20.91189       46.17498 
1 1 1 25  10 30 o 129.1711 28.50599 582.8672       210.1546 567.8086       304.9996 596.4789       289.9763 119.9550 38.36917 123.9700 37.04468 -4.014961      53.33387 
1 1 1 25  10 31 o 73.13929 29.98380 124.6718       205.2829 -71.07111      302.0049 292.7890       279.8833 69.83002 32.11611 92.55054 35.96595 -22.72051      48.21820 
1 1 1 25  10 32 o 47.48275 23.00199 -258.7645      197.7899 -224.8022      290.3508 -288.1703      270.1724 61.34851 29.22887 56.51380 27.25581 4.834717       39.96506 
1 1 1 25  10 33 o 51.45929 24.51558 -186.8543      204.1883 67.15683       301.2962 -402.6050      277.6792 76.11787 33.79456 53.34985 26.15070 22.76802       42.73092 
1 1 1 25  10 34 o 74.64719 30.04149 156.3536       201.6656 158.6810       322.4174 154.8579       258.4661 82.50735 35.83970 78.36243 33.00393 4.144928       48.72108 
1 1 1 25  10 35 o 73.19816 29.95143 142.7492       204.3555 -201.1684      313.6341 396.4786       269.3900 63.76290 30.37890 99.46214 35.96695 -35.69925      47.07971 
1 1 1 25  10 36 o 68.09051 29.53174 71.01542       218.2186 516.4417       369.8998 -166.7577      270.2574 106.7815 41.38835 60.28231 28.57029 46.49919       50.29172 
1 1 1 25  10 37 o 69.54137 29.32567 106.9923       204.4771 72.21796       337.3745 127.1830       257.0741 77.21607 34.90166 75.13849 32.31786 2.077583       47.56648 
1 1 1 25  11 0  o 396.6267 13.63463 4657.587       316.6865 4514.375       439.1971 4812.686       457.0618 388.5991 19.33183 401.2024 19.48325 -12.60327      27.44661 
1 1 1 25  11 1  o 159.8986 25.52542 789.3115       231.3251 458.3056       296.3224 1305.779       370.1417 120.8624 37.71265 204.2200 31.95085 -83.35760      49.42773 
1 1 1 25  11 2  o 275.2350 16.85687 2258.305       270.7966 2282.753       362.0910 2227.275       407.9204 274.9388 22.65683 270.3057 26.05422 4.633118       34.52759 
1 1 1 25  11 3  o 360.2345 17.67799 3868.498       372.3405 3992.847       443.0899 3569.677       686.8745 364.8603 20.79297 337.9760 35.16667 26.88431       40.85391 
1 1 1 25  11 4  o 239.1245 45.76425 1882.626       618.4304 0.000000       0.000000 1882.626       618.4304 ?        ?        239.1245 45.76425 0.000000       45.76425 
1 1 1 25  11 5  o 196.4744 28.73333 1196.592       321.2987 1536.883       371.1919 179.8450       641.6229 222.9760 29.07706 122.4630 51.81041 100.5130       59.41207 
1 1 1 25  11 6  o 147.7971 36.26819 704.9824       311.9795 842.4954       361.1614 300.7003       619.2582 160.9709 38.72911 126.9163 52.05874 34.05465       64.88495 
1 1 1 25  11 7  o 99.60097 39.59883 195.6904       346.0656 195.6904       346.0656 0.000000       0.000000 99.60097 39.59883 ?        ?        0.000000       39.59883 
1 1 1 25  11 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  11 9  o 298.5058 24.33451 2707.127       422.3231 2707.127       422.3231 0.000000       0.000000 298.5058 24.33451 ?        ?        0.000000       24.33451 
1 1 1 25  11 10 o 515.0386 22.16411 7990.797       667.9177 7990.797       667.9177 0.000000       0.000000 515.0386 22.16411 ?        ?        0.000000       22.16411 
1 1 1 25  11 11 o 458.8545 27.94534 6453.169       748.4636 6453.169       748.4636 0.000000       0.000000 458.8545 27.94534 ?        ?        0.000000       27.94534 
1 1 1 25  11 12 o 170.4067 34.10448 933.8813       328.9335 933.8813       328.9335 0.000000       0.000000 170.4067 34.10448 ?        ?        0.000000       34.10448 
1 1 1 25  11 13 o 309.5493 36.06248 3058.534       642.4438 3058.534       642.4438 0.000000       0.000000 309.5493 36.06248 ?        ?        0.000000       36.06248 
1 1 1 25  11 14 o 213.5522 27.66808 1420.969       338.3868 1420.969       338.3868 0.000000       0.000000 213.5522 27.66808 ?        ?        0.000000       27.66808 
1 1 1 25  11 15 o 67.65726 31.66348 -264.4667      313.6917 -264.4667      313.6917 0.000000       0.000000 67.65726 31.66348 ?        ?        0.000000       31.66348 
1 1 1 25  11 16 o 230.5873 24.16367 1636.358       321.9276 1636.358       321.9276 0.000000       0.000000 230.5873 24.16367 ?        ?        0.000000       24.16367 
1 1 1 25  11 17 o 70.99377 31.21175 -33.84326      251.0262 14.25025       299.3525 -147.7840      460.7647 80.42088 34.73407 89.58236 40.60992 -9.161476      53.43801 
1 1 1 25  11 18 o 116.1367 34.16884 440.1699       248.2488 509.2603       296.7253 278.9994       453.1984 124.1254 37.55975 111.2035 44.93504 12.92192       58.56528 
1 1 1 25  11 19 f 241.6235 19.76635 1775.507       277.6562 1759.083       355.3718 1801.245       444.8613 237.5014 25.93424 236.1844 33.01702 1.317032       41.98462 
1 1 1 25  11 20 o 179.5885 24.71594 1010.583       253.4227 873.9580       323.8865 1226.282       406.9595 161.7571 35.14788 190.7973 37.70614 -29.04016      51.54732 
1 1 1 25  11 21 o 69.54564 29.86603 19.68915       218.9059 -47.22766      300.8864 94.93964       319.0727 75.70032 33.68084 86.64093 36.58973 -10.94061      49.73135 
1 1 1 25  11 22 o 68.24467 29.49644 12.98942       216.1880 11.89929       292.7533 14.29691       320.6147 77.72462 33.95049 80.92295 35.43412 -3.198334      49.07355 
1 1 1 25  11 23 o 92.07709 31.26847 270.7183       201.5159 467.5640       273.6857 37.63507       297.8137 116.0157 36.25013 79.29089 34.44379 36.72480       50.00446 
1 1 1 25  11 24 o 154.3299 22.90520 759.9195       201.0365 574.7923       274.2484 974.9421       295.5637 127.2888 35.43670 170.1246 30.75502 -42.83575      46.92154 
1 1 1 25  11 25 o 58.48898 26.39185 -59.23473      191.9514 12.92700       272.8243 -129.9711      270.1164 73.94498 32.52292 65.45589 30.20123 8.489082       44.38305 
1 1 1 25  11 26 o 137.8006 28.64386 643.8580       223.9281 520.8093       325.9187 753.8834       308.1890 118.1094 39.76697 143.6508 36.50999 -25.54144      53.98510 
1 1 1 25  11 27 o 60.97890 27.58505 -58.89416      211.2609 399.5200       324.5291 -396.0217      278.3054 106.0219 39.29129 55.11079 26.83202 50.91109       47.57901 
1 1 1 25  11 28 o 97.57069 31.83512 334.2311       209.3119 415.4191       319.8917 273.4483       276.7883 106.3180 39.07851 92.55975 35.82233 13.75826       53.01292 
1 1 1 25  11 29 o 64.84788 28.83780 -7.078884      220.2946 -191.4370      338.8724 127.8563       289.9130 68.88785 32.44986 81.04095 34.57597 -12.15310      47.41826 
1 1 1 25  11 30 o 81.70488 31.76999 201.1258       218.4880 330.1775       331.4527 101.9604       290.5493 97.52067 38.75962 78.92292 34.15347 18.59775       51.66011 
1 1 1 25  11 31 o 57.56366 26.58773 -93.98766      210.1433 127.0916       304.7406 -294.4307      290.1695 81.06392 35.02864 58.94682 28.38314 22.11710       45.08446 
1 1 1 25  11 32 o 59.48110 27.08414 -51.10521      207.7773 27.30547       301.5979 -121.9382      286.6544 74.16160 33.30522 65.15224 30.41807 9.009354       45.10539 
1 1 1 25  11 33 o 77.28288 30.74401 177.1923       208.7203 -101.9733      319.4568 385.1242       275.7031 68.89242 32.14677 99.17207 36.30758 -30.27965      48.49386 
1 1 1 25  11 34 o 102.6755 31.33096 399.0318       205.8821 450.1234       323.0770 364.0971       267.1525 103.8748 39.06105 96.72860 35.68481 7.146233       52.90720 
1 1 1 25  11 35 o 136.2872 29.83827 685.3469       231.8678 234.2713       389.3967 933.1422       288.6118 88.90350 38.98616 156.8518 32.44552 -67.94833      50.72112 
1 1 1 25  11 36 o 49.28848 23.96774 -281.2873      220.1963 -356.2208      369.5927 -240.0530      274.1669 63.57315 30.94513 57.72449 27.74190 5.848660       41.55977 
1 1 1 25  11 37 o 100.5105 31.53830 393.4172       206.9386 634.9109       331.5668 239.3242       264.8558 117.9970 40.10809 83.86316 34.18041 34.13384       52.69687 
1 1 1 25  12 0  o 209.5737 33.82425 1385.046       401.5825 0.000000       0.000000 1385.046       401.5825 ?        ?        209.5737 33.82425 0.000000       33.82425 
1 1 1 25  12 1  f 130.0589 29.57296 535.2585       220.4527 835.9551       275.0801 -4.594765      368.5809 163.2248 29.83481 88.65720 38.41637 74.56760       48.64086 
1 1 1 25  12 2  o 431.8329 18.89743 5569.570       477.4371 0.000000       0.000000 5569.570       477.4371 ?        ?        431.8329 18.89743 0.000000       18.89743 
1 1 1 25  12 3  o 377.3853 33.00012 4417.557       723.0425 0.000000       0.000000 4417.557       723.0425 ?        ?        377.3853 33.00012 0.000000       33.00012 
1 1 1 25  12 4  o 278.7678 19.37480 2329.822       314.7888 2377.231       362.3039 2183.798       635.8461 280.6565 22.19188 258.9908 43.39547 21.66562       48.74060 
1 1 1 25  12 5  o 58.19826 27.86599 -355.2218      270.9364 -335.3535      298.9544 -446.5629      641.0001 63.19356 29.97890 97.87515 45.62614 -34.68159      54.59377 
1 1 1 25  12 6  o 115.7695 39.36887 403.6436       319.4618 403.6436       319.4618 0.000000       0.000000 115.7695 39.36887 ?        ?        0.000000       39.36887 
1 1 1 25  12 7  o 208.0296 29.68099 1347.534       351.8649 1347.534       351.8649 0.000000       0.000000 208.0296 29.68099 ?        ?        0.000000       29.68099 
1 1 1 25  12 8  o 406.4813 21.18140 4969.120       503.2048 4969.120       503.2048 0.000000       0.000000 406.4813 21.18140 ?        ?        0.000000       21.18140 
1 1 1 25  12 9  o 211.5152 33.26333 1415.422       399.0196 1415.422       399.0196 0.000000       0.000000 211.5152 33.26333 ?        ?        0.000000       33.26333 
1 1 1 25  12 10 o 539.8908 24.86472 8851.163       785.1855 8851.163       785.1855 0.000000       0.000000 539.8908 24.86472 ?        ?        0.000000       24.86472 
1 1 1 25  12 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  12 12 o 369.1292 18.65919 4088.887       402.6344 4088.887       402.6344 0.000000       0.000000 369.1292 18.65919 ?        ?        0.000000       18.65919 
1 1 1 25  12 13 o 206.2178 27.04224 1323.056       319.1809 1323.056       319.1809 0.000000       0.000000 206.2178 27.04224 ?        ?        0.000000       27.04224 
1 1 1 25  12 14 f 66.78497 31.33257 -274.2327      310.3962 -274.2327      310.3962 0.000000       0.000000 66.78497 31.33257 ?        ?        0.000000       31.33257 
1 1 1 25  12 15 o 84.06051 35.45668 66.59305       299.0253 66.59305       299.0253 0.000000       0.000000 84.06051 35.45668 ?        ?        0.000000       35.45668 
1 1 1 25  12 16 o 82.22346 35.33681 28.09374       306.8790 28.09374       306.8790 0.000000       0.000000 82.22346 35.33681 ?        ?        0.000000       35.33681 
1 1 1 25  12 17 o 43.24221 21.76731 -749.8515      251.2850 -690.9605      307.6674 -867.8464      435.5006 52.58192 26.09632 64.17984 31.70745 -11.59792      41.06556 
1 1 1 25  12 18 o 218.7628 20.66907 1461.330       262.0384 1457.669       312.9141 1469.923       479.4230 216.4924 25.11038 208.4073 40.68488 8.085022       47.80995 
1 1 1 25  12 19 o 211.5907 22.78094 1383.385       278.2464 794.1820       338.6358 2607.888       488.1808 152.8464 37.95167 286.8101 29.44003 -133.9637      48.03170 
1 1 1 25  12 20 o 44.98574 22.49652 -639.6371      247.5238 -191.9811      312.1117 -1398.429      406.3489 69.73282 32.27676 51.15446 25.96795 18.57836       41.42612 
1 1 1 25  12 21 o 152.4256 25.96581 744.1957       223.8062 674.4346       304.3505 826.3365       330.2533 139.7397 36.67961 154.7871 36.90260 -15.04741      52.03072 
1 1 1 25  12 22 o 87.97750 32.19533 227.1796       216.7513 499.8567       287.5176 -131.8117      329.8998 119.8038 37.11076 73.72919 33.78240 46.07464       50.18425 
1 1 1 25  12 23 o 159.2912 22.80116 806.3547       206.9415 1150.016       290.6269 452.9090       294.7353 187.9201 27.15679 113.6724 37.80940 74.24769       46.55150 
1 1 1 25  12 24 o 148.9727 24.77494 720.5578       208.8568 495.2176       274.7603 1028.966       321.4382 117.6745 36.24831 172.8199 32.91585 -55.14536      48.96318 
1 1 1 25  12 25 o 99.03083 31.35083 335.8409       204.0591 339.6634       285.9143 331.8723       291.3282 100.6588 36.95384 100.0820 37.20140 0.5767899      52.43596 
1 1 1 25  12 26 o 52.61940 24.70894 -156.4933      193.7832 -382.1877      286.0297 34.99009       263.4610 56.69400 27.51047 73.78532 32.21896 -17.09132      42.36611 
1 1 1 25  12 27 o 63.19984 27.59264 11.17971       193.1704 113.6527       284.6219 -76.33092      263.0232 80.69576 34.33826 66.56917 30.37368 14.12659       45.84404 
1 1 1 25  12 28 o 100.1103 32.46357 358.6045       217.8369 202.3584       353.6701 454.1136       276.5134 90.58276 38.40077 109.8912 36.62383 -19.30849      53.06528 
1 1 1 25  12 29 o 105.4041 32.41351 406.3065       219.8139 423.5898       345.3328 394.5339       285.0085 105.5182 40.22253 102.8301 37.01992 2.688110       54.66558 
1 1 1 25  12 30 o 52.56414 25.23125 -242.1165      225.2280 -456.2436      360.1450 -104.5804      288.6357 61.73601 30.15954 66.83614 30.97193 -5.100128      43.23029 
1 1 1 25  12 31 o 112.6646 32.42843 476.1824       225.8061 489.5257       344.4764 466.1292       299.0055 109.0594 40.46891 107.9689 38.01778 1.090508       55.52553 
1 1 1 25  12 32 o 129.8643 29.41447 609.2229       218.8115 730.3502       342.5645 525.7447       284.3857 130.7071 40.51109 113.8772 37.10443 16.82991       54.93530 
1 1 1 25  12 33 o 54.71772 25.66836 -129.2172      208.2181 186.8989       337.8278 -322.8669      264.4116 85.04685 36.81553 54.07100 26.28667 30.97586       45.23685 
1 1 1 25  12 34 o 80.88036 31.45184 215.3573       214.1471 62.49986       321.3939 337.4062       287.1847 76.50822 34.36819 93.96475 36.45524 -17.45653      50.10147 
1 1 1 25  12 35 o 88.51537 32.54219 291.7441       221.8502 205.7221       361.5821 343.6772       280.9466 85.97105 37.63762 93.73552 36.14034 -7.764465      52.17963 
1 1 1 25  12 36 f 55.74196 25.80736 -80.49335      199.7198 -374.1037      344.7325 67.84319       245.0307 60.68895 29.61740 70.15214 30.83942 -9.463188      42.75816 
1 1 1 25  13 0  o 282.5877 14.46618 2371.405       238.9516 2522.929       310.6903 2151.990       373.8703 290.4145 18.33502 266.1412 24.21788 24.27332       30.37563 
1 1 1 25  13 1  o 100.4931 46.57294 -394.8824      652.8785 0.000000       0.000000 -394.8824      652.8785 ?        ?        100.4931 46.57294 0.000000       46.57294 
1 1 1 25  13 2  o 613.6376 18.68895 11239.48       671.8014 0.000000       0.000000 11239.48       671.8014 ?        ?        613.6376 18.68895 0.000000       18.68895 
1 1 1 25  13 3  o 228.8778 20.02914 1577.496       266.1474 1580.452       297.3848 1565.603       596.5468 228.3196 22.50090 215.5591 48.37829 12.76054       53.35494 
1 1 1 25  13 4  o 305.0796 17.68898 2780.428       315.1375 2900.092       362.4538 2409.761       637.9158 310.8142 19.98988 273.2070 41.08333 37.60724       45.68846 
1 1 1 25  13 5  o 78.94498 33.12605 51.37330       258.8704 -105.7045      286.2094 757.7502       606.9385 72.27116 32.45129 153.4477 54.15359 -81.17657      63.13238 
1 1 1 25  13 6  o 294.5345 21.19822 2615.274       363.7235 2615.274       363.7235 0.000000       0.000000 294.5345 21.19822 ?        ?        0.000000       21.19822 
1 1 1 25  13 7  o 155.8714 36.93960 790.9276       332.4873 790.9276       332.4873 0.000000       0.000000 155.8714 36.93960 ?        ?        0.000000       36.93960 
1 1 1 25  13 8  o 272.8734 24.57157 2270.677       389.0208 2270.677       389.0208 0.000000       0.000000 272.8734 24.57157 ?        ?        0.000000       24.57157 
1 1 1 25  13 9  o 125.9206 40.28605 506.7227       336.2218 506.7227       336.2218 0.000000       0.000000 125.9206 40.28605 ?        ?        0.000000       40.28605 
1 1 1 25  13 10 o 436.7408 17.44668 5700.503       445.9769 5700.503       445.9769 0.000000       0.000000 436.7408 17.44668 ?        ?        0.000000       17.44668 
1 1 1 25  13 11 o 127.3283 39.04127 527.8799       319.1874 527.8799       319.1874 0.000000       0.000000 127.3283 39.04127 ?        ?        0.000000       39.04127 
1 1 1 25  13 12 o 269.3280 41.01290 2388.778       627.3936 2388.778       627.3936 0.000000       0.000000 269.3280 41.01290 ?        ?        0.000000       41.01290 
1 1 1 25  13 13 o 382.3187 18.04337 4386.877       403.4285 4386.877       403.4285 0.000000       0.000000 382.3187 18.04337 ?        ?        0.000000       18.04337 
1 1 1 25  13 14 o 111.0166 38.42476 377.9586       304.6876 377.9586       304.6876 0.000000       0.000000 111.0166 38.42476 ?        ?        0.000000       38.42476 
1 1 1 25  13 15 o 214.3273 26.37794 1430.564       324.5791 1430.564       324.5791 0.000000       0.000000 214.3273 26.37794 ?        ?        0.000000       26.37794 
1 1 1 25  13 16 o 239.6995 23.48426 1766.924       325.9053 1766.924       325.9053 0.000000       0.000000 239.6995 23.48426 ?        ?        0.000000       23.48426 
1 1 1 25  13 17 o 256.0588 18.51981 1982.720       276.2371 2028.913       338.8128 1891.134       477.0719 257.1162 22.70176 241.2622 34.71467 15.85403       41.47865 
1 1 1 25  13 18 o 281.7963 17.22657 2393.813       283.3378 1874.712       329.8742 3854.161       553.2874 246.5471 23.08217 351.2128 27.07023 -104.6656      35.57505 
1 1 1 25  13 19 o 78.31577 33.16753 58.14865       263.4045 203.3862       317.9414 -259.6853      470.3355 94.78146 37.86530 84.67323 39.34027 10.10823       54.60255 
1 1 1 25  13 20 o 67.59419 29.80788 -27.43537      230.5818 176.7041       291.6259 -367.9142      376.6236 89.87646 36.14144 70.24966 33.41869 19.62679       49.22410 
1 1 1 25  13 21 f 227.3062 18.17088 1579.837       240.2200 1768.767       317.5181 1326.953       367.3482 237.7114 23.06506 199.5742 32.50254 38.13722       39.85489 
1 1 1 25  13 22 o 112.1538 31.43223 428.0305       214.9982 302.9749       277.0805 617.2520       340.8315 98.52444 36.34280 130.2332 40.41579 -31.70881      54.35288 
1 1 1 25  13 23 o 154.8715 23.67258 770.1749       208.1979 571.4458       267.2610 1076.926       332.0455 127.0434 34.83423 176.9411 33.21727 -49.89761      48.13326 
1 1 1 25  13 24 o 66.96316 28.69831 36.72910       201.3556 -8.580972      272.6411 91.09736       298.6529 72.48817 32.16719 81.56525 34.95348 -9.077087      47.50235 
1 1 1 25  13 25 o 121.5017 28.17244 502.0953       196.8390 563.1646       263.0474 424.3845       296.7313 124.9056 34.68015 108.6826 37.90227 16.22295       51.37407 
1 1 1 25  13 26 o 69.67733 28.83430 86.90475       192.2125 372.2989       269.0145 -210.7558      274.7349 102.6674 36.06813 61.63547 29.08993 41.03198       46.33717 
1 1 1 25  13 27 o 54.74544 25.76277 -166.2735      212.6657 -194.6524      342.7288 -148.5057      271.1878 69.71754 32.77631 63.64087 29.67050 6.076675       44.21114 
1 1 1 25  13 28 o 57.30035 26.23876 -77.35921      198.6100 14.57888       283.5064 -165.9638      278.3192 73.18825 32.62019 63.24878 29.67224 9.939468       44.09670 
1 1 1 25  13 29 o 94.14664 33.04893 315.5083       225.8321 190.4216       360.1647 396.5495       289.9002 89.08687 38.28416 102.6955 37.28642 -13.60864      53.44112 
1 1 1 25  13 30 o 68.97198 29.77995 59.51751       219.9141 -22.06111      354.3397 110.6264       280.4658 76.70242 35.09464 78.14836 33.68570 -1.445938      48.64524 
1 1 1 25  13 31 o 57.42891 26.68614 -106.6861      216.5468 342.8223       349.2567 -387.4053      276.0018 96.95616 39.34918 53.74850 26.28838 43.20766       47.32269 
1 1 1 25  13 32 o 95.00841 31.94372 337.0551       210.3014 376.3553       349.4988 314.7495       263.3030 98.46561 39.57580 92.43005 35.14851 6.035561       52.93072 
1 1 1 25  13 33 o 85.88058 31.51059 262.3689       207.8413 179.4577       331.6101 316.0120       266.7336 84.07363 36.43449 92.11888 35.29199 -8.045250      50.72471 
1 1 1 25  13 34 o 51.83899 24.63220 -167.5772      203.4427 -614.1472      324.2931 122.2302       261.2448 52.67014 26.24717 75.53812 32.53531 -22.86798      41.80263 
1 1 1 25  13 35 o 93.95452 32.04787 339.2927       211.7194 135.6564       362.7555 444.4949       260.7347 82.08240 36.71973 103.9923 35.56241 -21.90987      51.11774 
1 1 1 25  13 36 o 68.41866 28.87513 101.2762       198.4967 331.3561       328.6674 -30.83078      249.0464 92.46895 37.92715 64.31128 29.42394 28.15767       48.00246 
1 1 1 25  14 0  o 276.5115 24.80034 2328.919       397.9139 0.000000       0.000000 2328.919       397.9139 ?        ?        276.5115 24.80034 0.000000       24.80034 
1 1 1 25  14 1  o 146.3779 24.40934 663.1106       202.1724 930.2309       244.5414 86.24767       359.3646 173.8618 24.67491 92.93081 39.01445 80.93104       46.16252 
1 1 1 25  14 2  o 112.1978 30.00824 399.6820       201.2958 589.6067       243.9544 -5.490506      356.3182 135.9051 31.25919 86.89789 37.71235 49.00725       48.98325 
1 1 1 25  14 3  f 465.9881 13.21527 6430.543       360.7968 6534.924       522.2412 6335.233       499.0369 467.2814 19.09669 460.3512 18.52168 6.930267       26.60331 
1 1 1 25  14 4  o 302.9800 17.23379 2742.290       304.9653 2910.609       338.9399 2026.707       698.8520 311.6923 18.62652 243.7645 50.54399 67.92780       53.86690 
1 1 1 25  14 5  f 167.0790 30.07307 880.4518       283.8446 880.4518       283.8446 0.000000       0.000000 167.0790 30.07307 ?        ?        0.000000       30.07307 
1 1 1 25  14 6  o 71.30241 32.22477 -123.5988      287.5046 -123.5988      287.5046 0.000000       0.000000 71.30241 32.22477 ?        ?        0.000000       32.22477 
1 1 1 25  14 7  o 242.2235 23.88482 1790.285       334.8936 1790.285       334.8936 0.000000       0.000000 242.2235 23.88482 ?        ?        0.000000       23.88482 
1 1 1 25  14 8  o 155.5000 35.40763 786.1249       315.6490 786.1249       315.6490 0.000000       0.000000 155.5000 35.40763 ?        ?        0.000000       35.40763 
1 1 1 25  14 9  o 348.4716 17.67863 3636.184       360.1184 3636.184       360.1184 0.000000       0.000000 348.4716 17.67863 ?        ?        0.000000       17.67863 
1 1 1 25  14 10 o 363.3775 21.80458 3999.633       462.5450 3999.633       462.5450 0.000000       0.000000 363.3775 21.80458 ?        ?        0.000000       21.80458 
1 1 1 25  14 11 o 425.8935 21.48907 5489.641       535.0121 5489.641       535.0121 0.000000       0.000000 425.8935 21.48907 ?        ?        0.000000       21.48907 
1 1 1 25  14 12 o 175.6241 52.83811 1107.167       588.4357 1107.167       588.4357 0.000000       0.000000 175.6241 52.83811 ?        ?        0.000000       52.83811 
1 1 1 25  14 13 o 135.7488 52.00364 556.1262       579.1256 556.1262       579.1256 0.000000       0.000000 135.7488 52.00364 ?        ?        0.000000       52.00364 
1 1 1 25  14 14 o 91.37414 42.15922 -261.4902      526.3358 -261.4902      526.3358 0.000000       0.000000 91.37414 42.15922 ?        ?        0.000000       42.15922 
1 1 1 25  14 15 o 74.35134 35.34458 -428.1121      419.7725 -428.1121      419.7725 0.000000       0.000000 74.35134 35.34458 ?        ?        0.000000       35.34458 
1 1 1 25  14 16 o 117.8659 46.40125 370.9514       470.8795 370.9514       470.8795 0.000000       0.000000 117.8659 46.40125 ?        ?        0.000000       46.40125 
1 1 1 25  14 17 o 301.5965 20.43918 2770.040       359.3910 2477.676       497.4881 3089.159       519.7538 278.6076 30.96933 313.1678 28.61478 -34.56018      42.16521 
1 1 1 25  14 18 o 94.00478 37.41852 201.5994       309.3635 580.7319       415.6031 -269.5129      463.2821 130.3730 44.88800 83.67566 38.93354 46.69736       59.42015 
1 1 1 25  14 19 o 140.0698 30.42625 646.3557       242.7774 367.4888       290.3495 1294.438       442.6269 107.2791 37.48714 192.9509 40.41172 -85.67184      55.12162 
1 1 1 25  14 20 o 128.8252 30.61558 554.5444       227.8819 587.6770       288.5672 499.6453       371.4509 130.1336 36.39479 120.4856 42.37809 9.647972       55.86128 
1 1 1 25  14 21 o 143.1824 28.10289 675.5637       227.5590 612.7650       281.6833 793.5475       386.0972 132.3299 35.54473 146.3306 42.49012 -14.00069      55.39709 
1 1 1 25  14 22 o 135.2724 28.91540 613.7698       222.4426 399.6914       275.4840 1014.848       377.0722 107.6592 36.55951 167.1464 39.15622 -59.48717      53.57058 
1 1 1 25  14 23 o 206.4363 18.24750 1318.166       218.6499 1375.030       284.8634 1236.625       341.1200 207.1738 23.88157 190.5851 31.62695 16.58867       39.63071 
1 1 1 25  14 24 o 150.1625 24.31352 734.3944       206.8062 696.9586       273.5847 784.3038       315.8925 140.0729 33.71236 146.4008 36.82935 -6.327972      49.92919 
1 1 1 25  14 25 o 125.5790 27.74340 535.2472       198.8725 546.0431       272.3713 522.9195       291.0537 122.0234 35.76065 118.6442 37.42675 3.379234       51.76472 
1 1 1 25  14 26 o 54.03083 24.96848 -104.0802      185.6649 83.36045       253.1727 -322.1854      273.0976 75.53970 32.27217 56.75737 27.38067 18.78233       42.32250 
1 1 1 25  14 27 o 135.8101 26.01363 623.1034       199.6555 679.7085       276.0630 561.0261       289.0991 135.3063 34.64336 120.8173 37.17598 14.48903       50.81551 
1 1 1 25  14 28 o 157.1966 23.87362 818.2959       213.1847 600.9460       292.4351 1064.813       311.4389 124.1442 37.22590 172.4493 31.97058 -48.30513      49.07021 
1 1 1 25  14 29 o 165.1287 21.18480 884.4327       200.4419 800.1694       280.2220 972.7162       286.8287 147.1115 33.26233 165.1698 30.74121 -18.05824      45.29243 
1 1 1 25  14 30 o 67.87759 28.67089 80.47365       195.9665 -110.6787      284.7508 252.4692       270.1057 65.64507 30.53709 87.95199 34.97865 -22.30692      46.43296 
1 1 1 25  14 31 o 53.92971 25.55256 -170.9397      215.8977 -175.6166      351.8262 -168.1148      273.4338 69.13337 32.71570 61.42492 28.99977 7.708450       43.71846 
1 1 1 25  14 32 o 81.15735 31.25680 217.1813       209.9870 299.8707       339.1702 165.7849       267.3984 92.36969 38.27085 79.69002 33.56658 12.67967       50.90554 
1 1 1 25  14 33 o 82.04074 31.26348 228.6036       208.5875 358.7311       331.9569 143.7037       268.1333 96.05355 38.58247 77.82422 33.22909 18.22933       50.91935 
1 1 1 25  14 34 o 75.98963 30.26665 177.0137       202.5312 154.2062       356.9993 187.8380       245.9394 82.86597 36.78858 79.31535 32.69928 3.550629       49.22034 
1 1 1 25  14 35 o 58.39668 26.22823 -12.19645      187.1000 52.06366       359.0218 -36.15545      219.2222 77.64939 35.45108 60.82906 27.74500 16.82034       45.01737 
1 1 1 25  15 0  o 142.5486 23.15128 627.3970       186.9134 706.7440       218.0719 407.7141       362.8545 150.7236 25.58369 117.6460 41.83776 33.07764       49.04002 
1 1 1 25  15 1  o 286.9258 14.16417 2446.207       237.6111 2621.524       303.5395 2168.768       381.8446 296.0282 17.56256 266.5359 24.70885 29.49228       30.31454 
1 1 1 25  15 2  o 437.6209 13.09354 5673.396       335.6734 5795.125       475.5694 5552.539       473.8629 440.1026 18.46611 430.6165 18.80877 9.486053       26.35843 
1 1 1 25  15 3  f 248.6966 15.35879 1843.929       222.9222 2083.581       279.4104 1424.227       369.7614 263.5781 18.18668 213.2121 30.43314 50.36604       35.45323 
1 1 1 25  15 4  o 174.5082 24.11862 937.3578       240.2495 935.4482       256.0298 951.4318       695.0748 173.7105 25.92350 166.5695 58.01463 7.140976       63.54310 
1 1 1 25  15 5  o 260.5520 19.90488 2046.307       301.8592 2046.307       301.8592 0.000000       0.000000 260.5520 19.90488 ?        ?        0.000000       19.90488 
1 1 1 25  15 6  o 134.4007 33.71877 585.2476       265.3033 585.2476       265.3033 0.000000       0.000000 134.4007 33.71877 ?        ?        0.000000       33.71877 
1 1 1 25  15 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  15 8  o 255.2172 23.73465 1991.870       351.1859 1991.870       351.1859 0.000000       0.000000 255.2172 23.73465 ?        ?        0.000000       23.73465 
1 1 1 25  15 9  f 238.1916 22.12338 1729.061       305.5173 1729.061       305.5173 0.000000       0.000000 238.1916 22.12338 ?        ?        0.000000       22.12338 
1 1 1 25  15 10 o 265.9796 41.25115 2340.997       622.6520 2340.997       622.6520 0.000000       0.000000 265.9796 41.25115 ?        ?        0.000000       41.25115 
1 1 1 25  15 11 o 164.1793 53.81501 962.0630       597.8013 962.0630       597.8013 0.000000       0.000000 164.1793 53.81501 ?        ?        0.000000       53.81501 
1 1 1 25  15 12 o 391.0648 17.17495 4584.976       392.9471 4584.976       392.9471 0.000000       0.000000 391.0648 17.17495 ?        ?        0.000000       17.17495 
1 1 1 25  15 13 o 110.3750 37.97427 377.1901       297.4205 377.1901       297.4205 0.000000       0.000000 110.3750 37.97427 ?        ?        0.000000       37.97427 
1 1 1 25  15 14 o 75.79493 33.52984 -46.53966      293.9674 -46.53966      293.9674 0.000000       0.000000 75.79493 33.52984 ?        ?        0.000000       33.52984 
1 1 1 25  15 15 o 193.7336 27.54631 1183.763       304.1716 1183.763       304.1716 0.000000       0.000000 193.7336 27.54631 ?        ?        0.000000       27.54631 
1 1 1 25  15 16 o 258.3282 20.49730 2035.898       307.9971 2035.898       307.9971 0.000000       0.000000 258.3282 20.49730 ?        ?        0.000000       20.49730 
1 1 1 25  15 17 o 127.0827 33.21265 538.1760       250.2454 601.5792       299.6006 391.8673       455.1160 133.0481 37.03782 117.0722 45.75792 15.97591       58.86924 
1 1 1 25  15 18 o 185.9530 22.11711 1073.973       236.4822 1183.639       287.4073 844.0936       416.1123 193.3659 26.00195 153.1436 44.00328 40.22227       51.11155 
1 1 1 25  15 19 o 71.47403 31.70229 -33.53843      264.5089 -33.53843      264.5089 0.000000       0.000000 71.47403 31.70229 ?        ?        0.000000       31.70229 
1 1 1 25  15 20 o 129.3450 33.65473 576.2468       257.7041 576.2468       257.7041 0.000000       0.000000 129.3450 33.65473 ?        ?        0.000000       33.65473 
1 1 1 25  15 21 o 239.0566 26.73377 1849.218       368.4000 1849.218       368.4000 0.000000       0.000000 239.0566 26.73377 ?        ?        0.000000       26.73377 
1 1 1 25  15 22 o 66.14741 29.74142 -51.68885      241.3041 -149.1366      322.7597 71.80695       363.3453 70.96857 32.83961 86.27163 37.75022 -15.30305      50.03518 
1 1 1 25  15 23 o 90.04288 33.47991 252.2081       235.9906 40.31391       338.5698 452.4309       329.1134 81.79890 36.09376 111.8268 39.83703 -30.02788      53.75638 
1 1 1 25  15 24 o 80.30754 30.22174 187.9539       193.4805 212.8935       257.6160 155.6841       293.0395 87.07068 34.30783 84.94038 35.41442 2.130302       49.30729 
1 1 1 25  15 25 o 80.80135 30.30584 195.0331       194.2081 518.7684       265.1910 -179.4060      285.2032 118.6445 35.41969 64.19913 30.09216 54.44540       46.47680 
1 1 1 25  15 26 f 58.30814 26.42846 -56.86170      195.0545 -287.2964      271.6274 188.4754       280.2731 57.64864 27.68145 85.31220 35.01127 -27.66357      44.63241 
1 1 1 25  15 27 o 74.19196 30.88521 114.5628       222.3773 496.1291       328.3645 -208.6951      302.2357 112.0314 39.80399 64.09951 30.33027 47.93191       50.04280 
1 1 1 25  15 28 o 60.12465 27.00847 -29.78993      198.4818 -56.22201      275.7072 -1.354440      285.9650 67.96825 31.04463 72.04511 32.38639 -4.076866      44.86254 
1 1 1 25  15 29 o 103.5421 30.15112 389.4860       194.1662 221.0338       279.0712 547.5422       270.3227 86.07799 35.08472 118.4138 35.85369 -32.33585      50.16398 
1 1 1 25  15 30 o 86.75970 30.40548 265.4350       191.0979 394.2117       274.8346 144.9006       265.8937 100.7419 36.34213 78.76344 33.33898 21.97843       49.31773 
1 1 1 25  15 31 o 46.82307 22.56312 -217.2030      184.2197 -337.2671      254.4878 -85.02733      267.0153 52.36371 25.53090 64.34512 29.80777 -11.98140      39.24704 
1 1 1 25  15 32 o 60.31328 26.78014 4.560904       189.2452 270.0753       273.6757 -238.7333      261.9740 88.08254 35.15015 56.73709 27.22840 31.34545       44.46256 
1 1 1 25  15 33 o 50.00282 23.95392 -197.9133      200.7544 43.10712       365.9113 -301.7044      240.1204 78.13914 35.71836 51.37141 24.99152 26.76773       43.59332 
1 1 1 25  15 34 f 168.9699 20.92153 944.5345       202.9006 1055.956       419.3842 910.4841       231.8399 148.5468 44.58798 161.9109 25.23782 -13.36409      51.23510 
1 1 1 25  15 35 o 51.30132 24.14517 -125.1262      186.9072 -218.4614      358.2281 -90.21359      219.0930 66.58276 31.92348 57.61133 26.79524 8.971428       41.67846 
1 1 1 25  16 0  o 292.7022 13.38414 2543.376       229.1481 2702.963       286.1011 2257.817       382.7090 300.8972 16.27308 271.9414 24.25037 28.95581       29.20435 
1 1 1 25  16 1  o 117.8976 27.24393 440.8478       184.5942 612.3212       215.8180 -26.49894      356.2943 139.3512 27.38447 85.29049 37.34998 54.06072       46.31339 
1 1 1 25  16 2  o 272.9239 25.70797 2285.821       406.6436 0.000000       0.000000 2285.821       406.6436 ?        ?        272.9239 25.70797 0.000000       25.70797 
1 1 1 25  16 3  o 228.8277 16.52157 1567.825       220.2300 1690.881       265.7799 1298.223       393.3981 236.8114 19.30411 201.1660 34.59156 35.64540       39.61344 
1 1 1 25  16 4  o 355.8389 14.86549 3768.606       309.5464 3697.385       369.0504 3937.613       568.5023 351.2617 17.97425 357.6116 27.31294 -6.349915      32.69665 
1 1 1 25  16 5  o 121.1153 32.06542 473.5804       231.3118 473.5804       231.3118 0.000000       0.000000 121.1153 32.06542 ?        ?        0.000000       32.06542 
1 1 1 25  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  16 7  o 159.9466 29.25309 812.3792       264.2993 812.3792       264.2993 0.000000       0.000000 159.9466 29.25309 ?        ?        0.000000       29.25309 
1 1 1 25  16 8  o 100.7019 35.15194 299.7185       255.2635 299.7185       255.2635 0.000000       0.000000 100.7019 35.15194 ?        ?        0.000000       35.15194 
1 1 1 25  16 9  o 310.3666 33.81755 3069.700       605.6118 3069.700       605.6118 0.000000       0.000000 310.3666 33.81755 ?        ?        0.000000       33.81755 
1 1 1 25  16 10 o 353.0130 29.98149 3904.240       614.8519 3904.240       614.8519 0.000000       0.000000 353.0130 29.98149 ?        ?        0.000000       29.98149 
1 1 1 25  16 11 o 443.2646 20.48019 5944.812       530.9727 5944.812       530.9727 0.000000       0.000000 443.2646 20.48019 ?        ?        0.000000       20.48019 
1 1 1 25  16 12 o 458.3626 20.78443 6366.212       557.2708 6366.212       557.2708 0.000000       0.000000 458.3626 20.78443 ?        ?        0.000000       20.78443 
1 1 1 25  16 13 o 94.61703 42.74972 -119.7195      505.5622 -119.7195      505.5622 0.000000       0.000000 94.61703 42.74972 ?        ?        0.000000       42.74972 
1 1 1 25  16 14 f 101.4289 35.93042 307.7231       267.3906 307.7231       267.3906 0.000000       0.000000 101.4289 35.93042 ?        ?        0.000000       35.93042 
1 1 1 25  16 15 o 241.0435 22.36196 1787.963       312.5185 1787.963       312.5185 0.000000       0.000000 241.0435 22.36196 ?        ?        0.000000       22.36196 
1 1 1 25  16 16 o 76.91550 33.15839 24.35699       271.8192 24.35699       271.8192 0.000000       0.000000 76.91550 33.15839 ?        ?        0.000000       33.15839 
1 1 1 25  16 17 o 260.8858 16.62355 2056.396       253.0228 2298.905       307.0041 1542.832       446.7636 274.5810 19.18510 213.8231 36.96320 60.75797       41.64548 
1 1 1 25  16 18 o 224.5653 17.57620 1535.978       229.6396 1598.003       267.4049 1361.728       448.2000 227.7281 20.23213 196.8859 40.17740 30.84218       44.98403 
1 1 1 25  16 19 o 202.0992 18.63395 1256.096       218.3762 1178.835       256.1870 1461.429       417.6449 193.4102 23.03766 206.3793 35.80315 -12.96913      42.57463 
1 1 1 25  16 20 o 125.9473 28.92955 532.6570       209.1829 501.4799       249.3521 606.7235       384.3317 119.8945 33.93803 127.6530 43.18372 -7.758530      54.92379 
1 1 1 25  16 21 o 75.78091 30.50042 125.7622       207.8938 91.18650       247.3398 208.9802       383.7223 76.85461 32.32246 96.00713 40.31103 -19.15252      51.66933 
1 1 1 25  16 22 o 50.20624 24.07343 -242.4155      203.7938 -221.2372      249.2059 -285.1720      354.0905 58.09759 27.50539 68.56617 32.55629 -10.46858      42.61993 
1 1 1 25  16 23 f 300.3250 13.21114 2723.119       232.1231 2771.548       299.6710 2650.478       367.0162 300.1100 17.09677 289.2686 21.79412 10.84143       27.69988 
1 1 1 25  16 24 o 90.23598 35.27076 244.2393       270.4194 244.2393       270.4194 0.000000       0.000000 90.23598 35.27076 ?        ?        0.000000       35.27076 
1 1 1 25  16 25 o 70.49203 32.61230 -115.9068      318.0617 -115.9068      318.0617 0.000000       0.000000 70.49203 32.61230 ?        ?        0.000000       32.61230 
1 1 1 25  16 26 o 99.78902 32.74522 359.9977       221.3071 67.63538       345.7588 562.8957       288.0390 81.56657 36.20863 120.6230 37.10624 -39.05640      51.84533 
1 1 1 25  16 27 o 144.6855 24.67095 701.5253       201.8421 901.1613       269.1550 444.9906       305.1098 160.1024 29.76029 107.1596 38.33650 52.94279       48.53207 
1 1 1 25  16 28 o 73.27860 29.71525 133.7174       198.9840 80.24224       270.5162 196.7625       293.7262 75.28440 32.76398 85.12450 35.47077 -9.840096      48.28720 
1 1 1 25  16 29 o 85.59406 30.26882 254.9496       189.6954 345.3058       261.8707 155.1883       275.1623 96.17128 35.35595 80.31828 33.95217 15.85300       49.01829 
1 1 1 25  16 30 o 45.93667 22.17451 -222.1943      179.8013 -383.2585      261.1877 -77.11481      247.8883 51.81974 25.39273 62.75040 28.94540 -10.93066      38.50490 
1 1 1 25  16 31 f 110.8344 27.88911 443.7484       181.1098 339.6173       265.4685 534.4128       247.7087 94.32711 35.42107 116.4880 34.09352 -22.16090      49.16320 
1 1 1 25  16 32 o 47.26632 22.70398 -199.5660      183.0861 -152.1750      277.6031 -236.0489      243.5683 61.97443 29.24732 54.41182 26.14939 7.562614       39.23259 
1 1 1 25  16 33 o 115.3695 27.82793 485.2988       186.0952 326.4488       296.0401 589.0786       239.2839 92.12535 36.62561 122.8403 32.65554 -30.71497      49.06953 
1 1 1 25  16 34 o 71.53368 28.99658 142.2428       189.3922 339.1194       313.0111 28.53748       237.8773 93.06804 37.43676 66.81033 29.82200 26.25771       47.86296 
1 1 1 25  16 35 o 58.96192 26.82603 -29.90817      203.3185 -2.152527      354.0949 -43.56011      248.3368 74.18319 34.35150 63.26605 29.10663 10.91714       45.02468 
1 1 1 25  17 0  o 114.0936 41.70712 376.1872       363.5950 0.000000       0.000000 376.1872       363.5950 ?        ?        114.0936 41.70712 0.000000       41.70712 
1 1 1 25  17 1  o 345.1983 34.63366 3788.040       691.6988 0.000000       0.000000 3788.040       691.6988 ?        ?        345.1983 34.63366 0.000000       34.63366 
1 1 1 25  17 2  o 166.8699 22.48670 856.3701       214.4707 950.8548       226.9579 67.92088       655.6186 175.9647 22.50679 115.6051 50.64425 60.35959       55.42017 
1 1 1 25  17 3  o 421.2272 13.30025 5267.483       328.1572 5783.179       465.0729 4756.148       463.1021 439.1224 18.09742 397.2013 19.94378 41.92111       26.93085 
1 1 1 25  17 4  o 232.2171 17.22759 1620.303       232.9512 1629.330       263.8390 1588.379       496.1631 232.0650 19.56773 219.0019 40.10768 13.06313       44.62647 
1 1 1 25  17 5  o 225.7533 20.06035 1545.355       262.8342 1545.355       262.8342 0.000000       0.000000 225.7533 20.06035 ?        ?        0.000000       20.06035 
1 1 1 25  17 6  o 238.2569 19.93830 1719.976       276.0494 1719.976       276.0494 0.000000       0.000000 238.2569 19.93830 ?        ?        0.000000       19.93830 
1 1 1 25  17 7  o 182.0410 23.53391 1023.154       245.3811 1023.154       245.3811 0.000000       0.000000 182.0410 23.53391 ?        ?        0.000000       23.53391 
1 1 1 25  17 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  17 9  o 84.62529 32.92760 160.7624       234.8233 160.7624       234.8233 0.000000       0.000000 84.62529 32.92760 ?        ?        0.000000       32.92760 
1 1 1 25  17 10 o 137.0923 31.71368 612.1025       249.9109 612.1025       249.9109 0.000000       0.000000 137.0923 31.71368 ?        ?        0.000000       31.71368 
1 1 1 25  17 11 o 196.4201 46.44992 1353.167       526.6227 1353.167       526.6227 0.000000       0.000000 196.4201 46.44992 ?        ?        0.000000       46.44992 
1 1 1 25  17 12 o 243.5708 19.77948 1802.571       280.1175 1802.571       280.1175 0.000000       0.000000 243.5708 19.77948 ?        ?        0.000000       19.77948 
1 1 1 25  17 13 f 203.3216 22.80035 1276.578       267.2009 1276.578       267.2009 0.000000       0.000000 203.3216 22.80035 ?        ?        0.000000       22.80035 
1 1 1 25  17 14 o 185.2959 24.70839 1074.529       261.8240 1074.529       261.8240 0.000000       0.000000 185.2959 24.70839 ?        ?        0.000000       24.70839 
1 1 1 25  17 15 o 53.47312 26.04595 -425.9272      263.0247 -425.9272      263.0247 0.000000       0.000000 53.47312 26.04595 ?        ?        0.000000       26.04595 
1 1 1 25  17 16 o 145.5405 30.41280 697.0887       251.2142 697.0887       251.2142 0.000000       0.000000 145.5405 30.41280 ?        ?        0.000000       30.41280 
1 1 1 25  17 17 o 89.39558 32.45327 235.3630       219.6063 334.5675       259.2902 -16.38419      413.0500 102.0657 35.44038 88.25380 39.35182 13.81189       52.95835 
1 1 1 25  17 18 o 84.89305 31.35169 207.0334       206.3062 326.6994       238.4916 -148.7402      411.2203 99.93773 34.01525 81.36155 37.44019 18.57618       50.58464 
1 1 1 25  17 19 o 200.1953 18.44529 1236.393       214.1325 1207.074       252.2629 1311.988       405.0638 195.5507 22.39977 192.9534 37.14264 2.597321       43.37425 
1 1 1 25  17 20 o 67.55285 28.91463 37.77965       203.9309 -103.1147      241.4982 387.9441       380.7177 63.17944 28.93183 108.3019 41.98603 -45.12248      50.98899 
1 1 1 25  17 21 o 60.66921 27.43656 -63.28447      208.8036 67.45644       243.8328 -422.7911      404.3336 74.32148 31.70922 69.31921 33.40953 5.002266       46.06160 
1 1 1 25  17 22 o 42.83369 21.22182 -420.0873      200.1815 -343.8452      246.7825 -566.7688      342.2980 52.63470 25.54369 58.16854 28.61705 -5.533836      38.35903 
1 1 1 25  17 23 o 63.10429 27.56063 8.969034       192.8697 78.44775       246.9517 -99.68613      308.8242 74.85606 31.92355 70.80142 32.53130 4.054634       45.57849 
1 1 1 25  17 24 o 119.9874 27.30419 492.4622       187.8015 460.2585       259.0316 528.1479       272.6761 111.6251 35.32021 118.8206 36.01627 -7.195503      50.44491 
1 1 1 25  17 25 o 78.83199 29.79886 187.4289       188.5767 538.0335       260.9753 -195.6460      272.7924 119.6447 34.98825 61.31769 28.95417 58.32700       45.41499 
1 1 1 25  17 26 o 211.9671 16.82677 1399.834       207.4644 1457.984       270.7828 1317.182       322.8297 211.9713 22.10629 194.8502 29.14414 17.12119       36.57962 
1 1 1 25  17 27 o 57.23177 28.21512 -535.0071      338.5993 -535.0071      338.5993 0.000000       0.000000 57.23177 28.21512 ?        ?        0.000000       28.21512 
1 1 1 25  17 28 o 66.82774 31.74882 -213.0651      337.6872 -213.0651      337.6872 0.000000       0.000000 66.82774 31.74882 ?        ?        0.000000       31.74882 
1 1 1 25  17 29 o 83.39481 31.47698 234.2185       210.2354 28.14568       359.6389 341.1960       259.1210 78.37794 35.66690 95.24733 35.14327 -16.86938      50.07172 
1 1 1 25  17 30 o 197.5999 16.21646 1225.555       186.2768 1212.949       273.1702 1236.511       254.6718 188.0844 25.41422 192.3331 23.03517 -4.248672      34.30016 
1 1 1 25  17 31 o 126.2372 24.42999 548.8948       174.3289 487.7293       266.2845 594.7731       230.6201 109.3594 35.92071 125.4928 31.41139 -16.13332      47.71764 
1 1 1 25  17 32 o 77.82113 28.75875 205.3614       173.6416 187.2557       272.8100 217.6918       225.1336 80.71942 33.94677 81.06006 32.03090 -0.3406372     46.67292 
1 1 1 25  17 33 o 74.51591 28.30383 180.6288       170.6186 5.095079       277.2104 287.6766       216.4801 69.06909 31.38503 87.73904 32.16432 -18.66994      44.93956 
1 1 1 25  17 34 o 51.41159 23.86369 -84.06709      172.4310 -179.3376      273.8182 -21.45929      221.9716 59.78874 28.45719 61.82332 28.08938 -2.034580      39.98531 
1 1 1 25  18 0  o 204.5499 16.22219 1256.319       193.0148 1216.041       213.4994 1436.513       451.5811 200.5697 18.35338 208.7151 38.30302 -8.145355      42.47314 
1 1 1 25  18 1  o 254.3152 14.20745 1928.408       211.0616 2097.386       252.9154 1540.778       383.0616 264.5500 16.38147 220.7032 30.40115 43.84673       34.53379 
1 1 1 25  18 2  o 522.8554 18.75191 8219.215       574.0816 0.000000       0.000000 8219.215       574.0816 ?        ?        522.8554 18.75191 0.000000       18.75191 
1 1 1 25  18 3  f 297.4978 13.84787 2635.066       240.9484 2725.091       293.1938 2447.780       422.8888 301.5463 16.64324 281.4544 25.90989 20.09186       30.79481 
1 1 1 25  18 4  o 330.8633 14.41133 3262.386       278.9718 3419.671       329.8517 2867.230       522.8295 337.8401 16.69956 302.2434 29.88609 35.59671       34.23528 
1 1 1 25  18 5  o 141.3552 27.03151 633.6764       215.9311 633.6764       215.9311 0.000000       0.000000 141.3552 27.03151 ?        ?        0.000000       27.03151 
1 1 1 25  18 6  o 281.3982 18.15070 2385.744       297.9494 2385.744       297.9494 0.000000       0.000000 281.3982 18.15070 ?        ?        0.000000       18.15070 
1 1 1 25  18 7  o 105.5826 46.31652 40.91456       550.0281 40.91456       550.0281 0.000000       0.000000 105.5826 46.31652 ?        ?        0.000000       46.31652 
1 1 1 25  18 8  o 95.39970 31.69114 278.8629       207.0807 278.8629       207.0807 0.000000       0.000000 95.39970 31.69114 ?        ?        0.000000       31.69114 
1 1 1 25  18 9  o 305.6564 15.73160 2797.349       281.0562 2797.349       281.0562 0.000000       0.000000 305.6564 15.73160 ?        ?        0.000000       15.73160 
1 1 1 25  18 10 o 286.4805 34.40495 2651.137       566.4989 2651.137       566.4989 0.000000       0.000000 286.4805 34.40495 ?        ?        0.000000       34.40495 
1 1 1 25  18 11 o 94.34369 32.69026 266.6644       220.5572 266.6644       220.5572 0.000000       0.000000 94.34369 32.69026 ?        ?        0.000000       32.69026 
1 1 1 25  18 12 f 165.4072 27.06966 869.0648       253.5208 869.0648       253.5208 0.000000       0.000000 165.4072 27.06966 ?        ?        0.000000       27.06966 
1 1 1 25  18 13 o 244.6104 19.72666 1825.025       280.5968 1825.025       280.5968 0.000000       0.000000 244.6104 19.72666 ?        ?        0.000000       19.72666 
1 1 1 25  18 14 o 211.8039 21.66190 1385.181       265.2943 1385.181       265.2943 0.000000       0.000000 211.8039 21.66190 ?        ?        0.000000       21.66190 
1 1 1 25  18 15 o 94.94608 33.98020 272.1722       239.7325 272.1722       239.7325 0.000000       0.000000 94.94608 33.98020 ?        ?        0.000000       33.98020 
1 1 1 25  18 16 o 189.5895 22.63242 1126.495       246.6852 1126.495       246.6852 0.000000       0.000000 189.5895 22.63242 ?        ?        0.000000       22.63242 
1 1 1 25  18 17 o 67.97698 28.86647 41.50313       200.4268 334.9458       232.3090 -812.9044      396.4030 100.6458 33.56964 59.49035 29.54145 41.15545       44.71709 
1 1 1 25  18 18 o 55.42516 25.77595 -140.9402      202.6649 -187.7958      230.7267 17.30200       424.0121 57.37634 26.94864 89.07805 39.78476 -31.70171      48.05264 
1 1 1 25  18 19 o 54.06828 25.29911 -154.5695      200.1043 -87.78867      236.7369 -321.6684      374.4786 63.37088 28.87649 69.81628 33.24386 -6.445393      44.03414 
1 1 1 25  18 20 o 64.78871 28.29038 7.313454       203.1264 -221.1503      238.0052 619.9749       389.7517 56.48452 26.78236 126.4784 43.47247 -69.99391      51.06026 
1 1 1 25  18 21 f 74.53177 30.09840 124.0114       203.1937 239.6515       245.3267 -128.6413      362.6207 88.90087 33.89852 75.33219 34.84111 13.56868       48.61083 
1 1 1 25  18 22 o 72.96289 29.55318 116.8868       196.5599 156.0569       246.9681 49.19709       324.6570 81.06499 33.01873 80.32029 35.39679 0.7446976      48.40630 
1 1 1 25  18 23 o 56.64853 25.75411 -65.23549      186.9550 3.503809       239.2363 -173.0629      299.6325 68.33762 30.23858 65.97538 30.89878 2.362236       43.23317 
1 1 1 25  18 24 o 173.3923 18.78041 949.0117       187.9337 1105.568       253.0280 756.3758       280.6733 183.2884 24.12382 143.5971 33.87895 39.69133       41.59016 
1 1 1 25  18 25 o 47.13106 22.74576 -239.7304      188.9156 -270.6109      251.6678 -199.8680      285.9350 55.23362 26.55369 62.44883 29.53483 -7.215214      39.71655 
1 1 1 25  18 26 o 86.10166 33.05607 240.9244       234.3399 26.60346       354.7448 406.8582       312.1413 79.29969 35.82132 103.0994 38.47137 -23.79976      52.56628 
1 1 1 25  18 27 o 128.6993 27.03397 577.0068       197.5491 741.2397       262.4622 362.3677       300.0482 141.7087 32.30133 98.39576 37.49622 43.31293       49.49083 
1 1 1 25  18 28 o 68.75658 28.23877 108.0708       182.5099 260.8839       241.3623 -95.97815      278.9050 87.20562 33.53028 65.38523 30.34987 21.82039       45.22604 
1 1 1 25  18 29 o 104.8498 29.16794 403.3557       185.8770 383.0318       252.9156 427.2270       274.1000 99.12740 34.95993 103.2015 36.39481 -4.074066      50.46562 
1 1 1 25  18 30 o 63.18029 29.23793 -77.96381      255.9166 -77.96381      255.9166 0.000000       0.000000 63.18029 29.23793 ?        ?        0.000000       29.23793 
1 1 1 25  18 31 o 116.5543 41.66238 625.8735       360.2675 625.8735       360.2675 0.000000       0.000000 116.5543 41.66238 ?        ?        0.000000       41.66238 
1 1 1 25  18 32 o 46.50366 22.37939 -200.1038      179.8148 -439.9038      389.2087 -135.0301      202.7500 62.88414 30.85203 53.14077 25.05301 9.743366       39.74293 
1 1 1 25  18 33 o 48.02852 22.40411 -93.71928      154.9667 -159.5164      271.2512 -61.83846      188.8135 60.41638 28.63058 55.23637 25.40052 5.180008       38.27397 
1 1 1 25  19 0  o 175.0348 16.39114 923.4240       166.3040 1045.812       189.3882 511.1816       347.5845 186.0033 17.56948 124.8848 41.04051 61.11845       44.64314 
1 1 1 25  19 1  o 361.3799 12.67344 3878.890       268.1860 4143.210       351.4144 3510.234       415.0153 372.0460 16.14386 340.0360 20.91195 32.01001       26.41844 
1 1 1 25  19 2  o 49.76236 22.79009 -93.78479      149.9007 -82.65037      164.4691 -148.4137      364.3020 53.43315 24.23841 79.01587 35.93386 -25.58272      43.34447 
1 1 1 25  19 3  o 79.13635 27.90766 175.7645       161.1668 262.7721       171.9989 -450.4691      461.4398 91.81106 28.74477 78.19894 37.14017 13.61212       46.96440 
1 1 1 25  19 4  o 180.5514 18.13326 988.1667       189.4146 987.5113       205.0244 991.9859       494.9158 179.9526 19.75081 167.1776 47.97490 12.77498       51.88146 
1 1 1 25  19 5  o 130.3535 27.63845 543.9210       204.7298 543.9210       204.7298 0.000000       0.000000 130.3535 27.63845 ?        ?        0.000000       27.63845 
1 1 1 25  19 6  o 76.23756 36.84387 -652.1464      499.9153 -652.1464      499.9153 0.000000       0.000000 76.23756 36.84387 ?        ?        0.000000       36.84387 
1 1 1 25  19 7  o 148.5743 26.83936 700.3533       225.2609 700.3533       225.2609 0.000000       0.000000 148.5743 26.83936 ?        ?        0.000000       26.83936 
1 1 1 25  19 8  o 46.52609 22.37859 -250.7652      179.2608 -250.7652      179.2608 0.000000       0.000000 46.52609 22.37859 ?        ?        0.000000       22.37859 
1 1 1 25  19 9  o 144.9410 25.28691 663.3795       207.1365 663.3795       207.1365 0.000000       0.000000 144.9410 25.28691 ?        ?        0.000000       25.28691 
1 1 1 25  19 10 o 298.2950 33.22651 2874.066       571.4191 2874.066       571.4191 0.000000       0.000000 298.2950 33.22651 ?        ?        0.000000       33.22651 
1 1 1 25  19 11 o 201.6827 19.47407 1242.370       227.4818 1242.370       227.4818 0.000000       0.000000 201.6827 19.47407 ?        ?        0.000000       19.47407 
1 1 1 25  19 12 o 91.03014 32.27907 245.2414       215.8524 245.2414       215.8524 0.000000       0.000000 91.03014 32.27907 ?        ?        0.000000       32.27907 
1 1 1 25  19 13 o 112.9170 44.76358 354.9688       441.0117 354.9688       441.0117 0.000000       0.000000 112.9170 44.76358 ?        ?        0.000000       44.76358 
1 1 1 25  19 14 o 135.9999 28.80897 607.4985       222.6252 607.4985       222.6252 0.000000       0.000000 135.9999 28.80897 ?        ?        0.000000       28.80897 
1 1 1 25  19 15 o 81.75282 31.34653 173.2205       210.5456 173.2205       210.5456 0.000000       0.000000 81.75282 31.34653 ?        ?        0.000000       31.34653 
1 1 1 25  19 16 o 132.8899 30.29832 595.0562       230.8750 595.0562       230.8750 0.000000       0.000000 132.8899 30.29832 ?        ?        0.000000       30.29832 
1 1 1 25  19 17 o 64.45078 27.88074 14.95560       193.4851 139.5689       223.1003 -363.1736      388.6316 78.80264 31.63802 70.22031 33.55498 8.582321       46.11834 
1 1 1 25  19 18 o 97.89041 30.90253 324.6582       198.3915 512.1785       229.4436 -230.8981      394.9260 121.3485 31.84527 75.13171 35.27824 46.21677       47.52552 
1 1 1 25  19 19 o 77.20929 29.90669 157.4154       193.0417 107.0166       226.8347 289.7803       367.6089 75.62037 31.31148 99.64930 40.39626 -24.02893      51.11034 
1 1 1 25  19 20 o 76.07251 29.94282 146.6972       196.0508 143.1656       235.3098 154.7128       354.5019 79.21638 32.24335 89.33488 38.17756 -10.11850      49.97159 
1 1 1 25  19 21 o 67.98820 28.51984 69.32461       191.7937 96.16293       238.3616 20.03985       323.0092 75.33465 31.70956 78.47224 34.90664 -3.137589      47.15899 
1 1 1 25  19 22 o 86.83912 30.00077 250.8641       185.7016 146.5559       234.9030 424.6836       303.2345 78.79332 32.16114 107.1810 38.23259 -28.38767      49.96069 
1 1 1 25  19 23 o 95.48598 29.29929 319.0183       179.7265 313.1922       233.7744 327.4391       281.0486 94.62419 33.58857 96.92406 36.43517 -2.299873      49.55516 
1 1 1 25  19 24 o 73.11713 29.34977 134.3120       191.9567 80.08099       313.2895 166.9088       242.8895 79.37272 34.88283 80.13406 32.70522 -0.7613449     47.81677 
1 1 1 25  19 25 o 66.34857 27.86619 74.53612       183.4509 104.6644       249.0744 38.81345       271.2150 75.35536 32.09604 72.87892 32.22459 2.476440       45.48164 
1 1 1 25  19 26 o 71.17130 29.02816 120.6342       191.1907 134.2811       252.4147 102.2668       292.8344 77.45117 32.61743 78.30539 34.08360 -0.8542175     47.17615 
1 1 1 25  19 27 o 77.10916 29.43448 185.6866       185.0978 476.7233       242.2130 -222.8721      286.9794 111.0132 34.00396 60.78611 28.98818 50.22705       44.68315 
1 1 1 25  19 28 o 88.63760 30.03525 283.7290       185.9252 143.4136       242.9133 482.2032       288.9021 76.56117 32.10491 108.4562 37.42189 -31.89500      49.30642 
1 1 1 25  19 29 o 45.99687 22.29531 -241.8038      186.5285 -356.4893      250.2304 -98.38536      279.8262 50.98240 24.95564 64.74541 30.17006 -13.76302      39.15376 
1 1 1 25  19 30 o 160.3904 19.64028 837.6923       180.8960 622.9608       248.9323 1077.973       263.3252 126.5216 33.15437 175.6928 26.36883 -49.17126      42.36187 
1 1 1 25  19 31 o 61.35983 26.74244 37.81746       180.7693 149.4996       255.9548 -73.32819      255.3392 76.68008 32.59387 62.81921 29.11752 13.86088       43.70573 
1 1 1 25  19 32 o 121.0194 25.25543 516.3112       173.4477 370.8816       256.9483 638.0507       235.0905 95.92226 35.06155 129.0712 31.36810 -33.14899      47.04541 
1 1 1 25  19 33 o 58.28392 27.68377 -165.1755      256.4734 -165.1755      256.4734 0.000000       0.000000 58.28392 27.68377 ?        ?        0.000000       27.68377 
1 1 1 25  20 0  o 179.1830 15.81687 966.5961       164.5093 1061.769       186.7351 636.6630       347.6824 187.4364 17.17802 136.9325 40.47628 50.50381       43.97060 
1 1 1 25  20 1  o 128.2832 20.64543 509.5858       150.0559 582.3862       165.7176 178.1287       353.6024 137.1095 21.29968 96.72503 39.46700 40.38448       44.84775 
1 1 1 25  20 2  o 133.3310 20.35382 548.9121       154.1215 607.0323       168.7795 257.2305       378.1034 140.0623 21.21011 104.2902 41.41455 35.77203       46.52992 
1 1 1 25  20 3  o 71.67341 34.51418 -540.7148      429.2968 0.000000       0.000000 -540.7148      429.2968 ?        ?        71.67341 34.51418 0.000000       34.51418 
1 1 1 25  20 4  o 63.77255 27.00384 24.02424       174.5531 163.9186       188.1150 -842.5925      468.2058 80.02245 29.86467 68.11259 33.50126 11.90986       44.88021 
1 1 1 25  20 5  o 64.58728 26.86644 43.70357       168.0869 72.65224       177.8270 -199.0513      514.9526 68.89935 28.03506 91.95236 42.16002 -23.05302      50.63034 
1 1 1 25  20 6  f 196.2426 42.91362 1331.680       480.1075 1331.680       480.1075 0.000000       0.000000 196.2426 42.91362 ?        ?        0.000000       42.91362 
1 1 1 25  20 7  o 328.0382 14.50497 3216.208       278.3663 3216.208       278.3663 0.000000       0.000000 328.0382 14.50497 ?        ?        0.000000       14.50497 
1 1 1 25  20 8  o 163.6836 21.54097 828.8384       201.7719 828.8384       201.7719 0.000000       0.000000 163.6836 21.54097 ?        ?        0.000000       21.54097 
1 1 1 25  20 9  o 261.6727 16.05769 2060.728       245.2423 2060.728       245.2423 0.000000       0.000000 261.6727 16.05769 ?        ?        0.000000       16.05769 
1 1 1 25  20 10 o 93.34317 30.29463 274.5797       189.6784 274.5797       189.6784 0.000000       0.000000 93.34317 30.29463 ?        ?        0.000000       30.29463 
1 1 1 25  20 11 o 150.9014 23.40947 716.5764       200.4661 716.5764       200.4661 0.000000       0.000000 150.9014 23.40947 ?        ?        0.000000       23.40947 
1 1 1 25  20 12 o 183.4023 18.51901 1030.231       196.4668 1030.231       196.4668 0.000000       0.000000 183.4023 18.51901 ?        ?        0.000000       18.51901 
1 1 1 25  20 13 o 93.36079 30.52486 279.9908       192.3890 279.9908       192.3890 0.000000       0.000000 93.36079 30.52486 ?        ?        0.000000       30.52486 
1 1 1 25  20 14 o 219.5958 16.71404 1469.021       213.6394 1469.021       213.6394 0.000000       0.000000 219.5958 16.71404 ?        ?        0.000000       16.71404 
1 1 1 25  20 15 o 63.31580 27.76439 -8.847984      197.4753 -8.847984      197.4753 0.000000       0.000000 63.31580 27.76439 ?        ?        0.000000       27.76439 
1 1 1 25  20 16 o 248.0774 17.49713 1889.358       252.9354 1889.358       252.9354 0.000000       0.000000 248.0774 17.49713 ?        ?        0.000000       17.49713 
1 1 1 25  20 17 o 70.01942 28.74411 88.87947       188.9880 200.2906       217.8818 -249.6026      379.7735 83.83091 31.95078 72.76305 34.29898 11.06786       46.87508 
1 1 1 25  20 18 o 181.3218 18.94488 1026.593       198.4925 1111.311       230.9670 787.2611       388.2051 187.1879 21.42436 141.4547 42.99409 45.73317       48.03639 
1 1 1 25  20 19 o 80.30241 29.78889 192.5451       186.6225 318.5275       220.0387 -130.3396      352.2637 96.40868 32.67464 74.09010 34.29236 22.31858       47.36664 
1 1 1 25  20 20 o 69.00580 28.52236 86.14156       187.7699 26.80306       221.5023 237.6823       353.9766 68.10680 29.64382 94.12267 39.05610 -26.01588      49.03199 
1 1 1 25  20 21 o 177.3245 18.15957 984.4277       186.1889 1227.120       229.5360 517.5553       318.3623 196.7452 20.17843 115.9113 39.30251 80.83388       44.17982 
1 1 1 25  20 22 o 68.30218 27.78480 100.0588       174.6122 47.21106       218.9425 192.4158       289.4353 68.66863 29.68173 85.83147 35.43807 -17.16283      46.22621 
1 1 1 25  20 23 f 78.26123 28.00870 197.1111       162.8772 368.9403       223.4432 2.287656       237.9245 100.4238 32.90004 67.29338 29.94475 33.13046       44.48708 
1 1 1 25  20 24 o 68.80680 27.53811 115.7406       168.4729 160.2313       226.8398 61.01108       251.5912 78.09837 31.70603 72.44267 31.56121 5.655708       44.73681 
1 1 1 25  20 25 o 71.11499 28.16621 134.7307       174.4556 314.0911       225.3317 -133.6508      275.6357 93.14232 32.98485 63.64704 29.75217 29.49528       44.42063 
1 1 1 25  20 26 f 84.98464 29.19048 252.7817       175.7195 476.0114       225.2091 -94.60338      280.9411 112.1493 32.41775 65.72574 30.49158 46.42352       44.50446 
1 1 1 25  20 27 o 60.34622 27.44860 -42.48282      212.6893 143.3884       327.5320 -178.0108      279.6804 82.08004 35.88052 61.51410 29.12755 20.56594       46.21500 
1 1 1 25  20 28 o 76.53837 28.67772 191.4891       173.8089 541.3785       223.7850 -340.4636      275.9321 119.4745 31.49644 54.72805 26.66171 64.74641       41.26588 
1 1 1 25  20 29 o 85.84939 28.35604 265.6852       165.8551 129.7722       224.8647 427.8399       245.6155 73.49883 30.85936 103.4786 34.51775 -29.97975      46.30092 
1 1 1 25  20 30 o 51.95145 23.95562 -70.73679      169.5753 107.5429       234.2688 -266.9613      245.7764 72.07376 30.92305 53.22364 25.74891 18.85012       40.23980 
1 1 1 25  20 31 o 66.81652 27.45238 109.4851       172.5707 234.6911       252.3024 -0.5849932     236.5612 83.08400 33.54361 64.72981 29.24475 18.35419       44.50201 
1 1 1 25  20 32 o 58.47852 25.80120 16.69585       172.9684 248.6570       262.0932 -162.2821      230.2225 84.32499 34.13659 55.31620 26.26105 29.00879       43.06913 
1 1 1 25  21 0  o 140.2917 18.21612 601.8589       146.3427 605.4974       161.3274 584.9575       347.7059 140.0744 20.22291 131.1829 40.83917 8.891510       45.57197 
1 1 1 25  21 1  o 310.4767 12.68445 2868.713       230.4813 2832.688       284.1863 2937.948       393.9744 307.2717 15.82323 309.8335 21.82105 -2.561768      26.95428 
1 1 1 25  21 2  o 220.5771 29.69137 1551.526       374.3517 0.000000       0.000000 1551.526       374.3517 ?        ?        220.5771 29.69137 0.000000       29.69137 
1 1 1 25  21 3  o 267.0211 14.99767 2136.470       233.9220 2073.539       257.9868 2427.368       554.6706 262.3101 16.85922 272.0651 35.61701 -9.754974      39.40564 
1 1 1 25  21 4  o 54.82016 24.09872 -26.35141      149.6131 -47.61839      157.5104 169.9197       478.5027 54.55076 24.31375 105.2379 44.64231 -50.68716      50.83398 
1 1 1 25  21 5  o 124.6786 23.29164 490.5992       164.0498 426.3157       172.9104 1070.042       519.1304 115.1140 26.20235 170.5317 49.19571 -55.41771      55.73851 
1 1 1 25  21 6  o 175.1144 17.73898 932.8951       179.6698 932.8951       179.6698 0.000000       0.000000 175.1144 17.73898 ?        ?        0.000000       17.73898 
1 1 1 25  21 7  o 299.8526 14.38151 2692.143       252.1709 2692.143       252.1709 0.000000       0.000000 299.8526 14.38151 ?        ?        0.000000       14.38151 
1 1 1 25  21 8  o 95.74955 29.87228 294.0549       185.9277 294.0549       185.9277 0.000000       0.000000 95.74955 29.87228 ?        ?        0.000000       29.87228 
1 1 1 25  21 9  o 155.4799 21.45533 752.6422       190.4314 752.6422       190.4314 0.000000       0.000000 155.4799 21.45533 ?        ?        0.000000       21.45533 
1 1 1 25  21 10 o 217.9841 42.43055 1683.089       522.9209 1683.089       522.9209 0.000000       0.000000 217.9841 42.43055 ?        ?        0.000000       42.43055 
1 1 1 25  21 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 25  21 12 o 67.45061 26.98334 89.49866       161.6798 89.49866       161.6798 0.000000       0.000000 67.45061 26.98334 ?        ?        0.000000       26.98334 
1 1 1 25  21 13 f 158.9658 20.16738 789.3018       183.7941 789.3018       183.7941 0.000000       0.000000 158.9658 20.16738 ?        ?        0.000000       20.16738 
1 1 1 25  21 14 o 119.4178 26.71750 473.2971       182.4314 473.2971       182.4314 0.000000       0.000000 119.4178 26.71750 ?        ?        0.000000       26.71750 
1 1 1 25  21 15 o 178.7559 24.09126 1028.212       246.1396 1028.212       246.1396 0.000000       0.000000 178.7559 24.09126 ?        ?        0.000000       24.09126 
1 1 1 25  21 16 f 160.9623 21.69195 824.7013       199.5657 824.7013       199.5657 0.000000       0.000000 160.9623 21.69195 ?        ?        0.000000       21.69195 
1 1 1 25  21 17 o 76.24898 28.36975 167.5950       169.5015 218.7037       190.2614 -29.01267      373.1669 83.74733 30.23430 80.91099 36.62593 2.836342       47.49286 
1 1 1 25  21 18 o 84.02820 29.70057 225.9635       182.6219 154.9446       209.0577 454.7114       375.1955 77.86758 30.83560 111.1416 42.02785 -33.27402      52.12652 
1 1 1 25  21 19 o 63.00025 27.21430 24.74452       183.8231 188.1295       216.8698 -392.1947      346.4411 81.53267 31.66635 63.33529 30.62377 18.19738       44.05193 
1 1 1 25  21 20 o 199.5627 19.34634 1255.885       223.5901 1020.489       291.3046 1593.408       348.8187 171.6822 30.02427 217.1535 28.04353 -45.47125      41.08401 
1 1 1 25  21 21 o 89.34262 28.29144 274.9431       166.1659 220.9777       197.3087 406.5771       308.1572 83.08763 30.66476 104.3414 38.35453 -21.25376      49.10599 
1 1 1 25  21 22 o 46.47042 22.13830 -171.9246      166.4871 -264.3370      205.6203 3.980267       283.6873 48.74661 23.57540 72.17784 32.36668 -23.43123      40.04250 
1 1 1 25  21 23 o 82.09854 28.20419 227.3822       164.0478 425.7927       211.8569 -69.72762      259.2500 107.6550 31.53587 65.24324 29.91401 42.41178       43.46675 
1 1 1 25  21 24 o 84.49207 28.48406 246.9592       167.2111 231.5389       218.1343 268.9305       260.3790 84.01046 31.98124 89.16917 34.67942 -5.158707      47.17481 
1 1 1 25  21 25 o 53.73456 24.43037 -50.36760      168.2524 -154.1252      209.7298 136.9846       281.8251 53.91232 25.43623 79.23133 33.95391 -25.31902      42.42487 
1 1 1 25  21 26 o 76.67396 28.35279 191.6977       168.8209 403.1367       207.6782 -220.2116      289.8672 103.4057 31.45009 60.92767 29.07728 42.47806       42.83219 
1 1 1 25  21 27 o 82.21622 28.38289 237.8528       166.2011 157.7701       205.5235 389.1901       282.5301 74.78064 30.24479 98.69902 36.64521 -23.91838      47.51440 
1 1 1 25  21 28 o 51.49746 23.38323 -42.68270      153.5274 -129.7160      197.3269 90.81092       244.3847 52.87447 24.86171 72.06010 31.25279 -19.18563      39.93546 
1 1 1 25  21 29 f 52.67246 23.88792 -37.80975      159.6367 -89.79263      209.8481 33.59485       245.9450 56.58099 26.28462 68.01183 30.34324 -11.43084      40.14465 
1 1 1 25  21 30 o 203.6869 14.98701 1297.699       177.7776 1226.407       262.6269 1357.995       241.5274 188.9169 24.26331 202.9698 20.57401 -14.05284      31.81192 
1 1 1 25  21 31 o 57.13120 25.20675 12.58494       165.0900 66.47649       263.7025 -22.15132      211.7120 71.20763 31.61519 60.54566 27.47878 10.66197       41.88799 
1 1 1 25  22 0  o 245.0756 12.89864 1792.615       184.7407 1708.702       213.5225 2042.457       368.4362 238.3856 15.35426 255.8134 24.87133 -17.42783      29.22903 
1 1 1 25  22 1  o 241.8916 28.63114 1863.364       398.3065 0.000000       0.000000 1863.364       398.3065 ?        ?        241.8916 28.63114 0.000000       28.63114 
1 1 1 25  22 2  o 268.5943 13.94876 2158.840       218.9740 2088.604       237.0043 2568.473       572.3669 263.6004 15.39766 278.4552 35.88161 -14.85486      39.04584 
1 1 1 25  22 3  o 158.0718 18.61746 765.6213       169.2875 740.7211       178.8583 979.7841       524.5414 154.8799 20.16947 161.6624 50.13342 -6.782455      54.03857 
1 1 1 25  22 4  o 84.36810 26.37582 223.3754       144.8718 238.4492       151.0649 50.76017       511.2019 86.87492 26.89802 100.6546 44.38505 -13.77965      51.89928 
1 1 1 25  22 5  o 78.13390 37.57825 -555.3937      505.2032 0.000000       0.000000 -555.3937      505.2032 ?        ?        78.13390 37.57825 0.000000       37.57825 
1 1 1 25  22 6  o 78.78239 26.60617 186.7161       145.8901 186.7161       145.8901 0.000000       0.000000 78.78239 26.60617 ?        ?        0.000000       26.60617 
1 1 1 25  22 7  o 85.53712 25.92621 232.8895       141.2978 232.8895       141.2978 0.000000       0.000000 85.53712 25.92621 ?        ?        0.000000       25.92621 
1 1 1 25  22 8  o 56.69809 24.31852 8.221400       144.8005 8.221400       144.8005 0.000000       0.000000 56.69809 24.31852 ?        ?        0.000000       24.31852 
1 1 1 25  22 9  o 329.5959 13.61234 3257.845       262.5605 3257.845       262.5605 0.000000       0.000000 329.5959 13.61234 ?        ?        0.000000       13.61234 
1 1 1 25  22 10 f 249.3904 13.85043 1871.304       201.7829 1871.304       201.7829 0.000000       0.000000 249.3904 13.85043 ?        ?        0.000000       13.85043 
1 1 1 25  22 11 o 150.3645 19.62282 705.1647       168.9198 705.1647       168.9198 0.000000       0.000000 150.3645 19.62282 ?        ?        0.000000       19.62282 
1 1 1 25  22 12 o 125.1619 22.66168 503.1804       160.2243 503.1804       160.2243 0.000000       0.000000 125.1619 22.66168 ?        ?        0.000000       22.66168 
1 1 1 25  22 13 o 85.18941 27.82003 235.2295       159.8266 235.2295       159.8266 0.000000       0.000000 85.18941 27.82003 ?        ?        0.000000       27.82003 
1 1 1 25  22 14 o 236.3994 15.36244 1702.828       211.8353 1702.828       211.8353 0.000000       0.000000 236.3994 15.36244 ?        ?        0.000000       15.36244 
1 1 1 25  22 15 o 112.4404 26.04385 423.3627       168.3643 423.3627       168.3643 0.000000       0.000000 112.4404 26.04385 ?        ?        0.000000       26.04385 
1 1 1 25  22 16 o 52.64081 24.00422 -71.90205      163.9617 -71.90205      163.9617 0.000000       0.000000 52.64081 24.00422 ?        ?        0.000000       24.00422 
1 1 1 25  22 17 o 49.52246 22.96421 -104.1582      159.0811 -50.07553      175.4296 -354.4275      377.3786 56.02187 25.25891 67.96104 32.63186 -11.93917      41.26561 
1 1 1 25  22 18 o 116.9463 24.82722 456.9478       165.0099 457.4765       187.1619 455.1025       349.6580 115.2663 27.97324 110.1211 40.78898 5.145287       49.45951 
1 1 1 25  22 19 o 309.1187 11.59538 2875.209       209.8410 2920.714       255.0639 2779.904       369.1290 309.7012 14.07968 295.0108 21.48207 14.69043       25.68495 
1 1 1 25  22 20 o 124.1316 23.82072 513.7696       167.1104 448.7780       194.6459 695.9727       325.9076 112.5790 29.22707 132.1788 39.21817 -19.59982      48.91100 
1 1 1 25  22 21 o 147.4893 20.14302 700.3340       169.6870 778.0656       200.4103 503.4953       318.9162 153.6415 22.94323 112.1907 39.28201 41.45087       45.49141 
1 1 1 25  22 22 o 58.77555 25.55053 18.15366       164.1261 227.7279       197.4147 -450.9199      295.3459 83.10146 30.67244 54.52445 26.77591 28.57701       40.71545 
1 1 1 25  22 23 o 119.8356 23.09692 481.7760       156.4415 510.4225       201.3896 438.1862       248.4243 119.2372 29.06655 106.6758 34.67360 12.56136       45.24514 
1 1 1 25  22 24 o 79.88698 27.95416 216.5964       161.4881 352.8723       198.6319 -49.08812      277.3465 97.67763 30.93220 67.56561 30.96451 30.11201       43.76759 
1 1 1 25  22 25 o 86.50907 27.78329 266.1611       159.8011 347.4628       195.3363 101.6466       277.8660 96.66374 30.68226 76.05789 33.15180 20.60585       45.17126 
1 1 1 25  22 26 o 76.50104 27.62837 196.1244       158.8951 164.1425       199.6579 251.3713       262.4148 74.98205 29.98912 85.97005 34.38173 -10.98800      45.62292 
1 1 1 25  22 27 o 128.7883 22.00585 556.8692       160.2477 539.1732       212.7850 580.0562       243.5709 120.0387 30.24340 121.7878 33.19838 -1.749146      44.90875 
1 1 1 25  22 28 o 86.61781 28.46172 273.9060       167.1714 372.8959       230.9041 164.8658       242.3424 97.23544 33.45930 77.12728 32.18499 20.10815       46.42627 
1 1 1 25  22 29 o 88.92659 33.28412 301.1331       234.0015 89.02003       370.4418 441.9666       301.8487 79.62866 36.22147 101.4546 37.83689 -21.82591      52.37962 
1 1 1 25  22 30 o 186.6266 21.76280 1165.959       233.7334 1281.352       419.6217 1114.053       281.4349 168.0162 42.54773 175.3333 28.33523 -7.317078      51.11942 
1 1 1 25  22 31 o 59.55354 26.38305 17.89498       182.6472 117.2279       269.4633 -66.53067      248.4221 74.41631 32.53728 61.83576 28.68199 12.58054       43.37431 
1 1 1 25  23 0  o 154.5179 16.73408 727.7026       149.2286 827.3791       164.2086 254.9500       357.6158 164.6750 17.25879 100.6363 40.17374 64.03875       43.72408 
1 1 1 25  23 1  o 175.0448 16.28202 930.1224       165.2341 985.9857       184.7708 707.0737       369.2071 179.6986 17.76444 140.7360 41.73843 38.96265       45.36156 
1 1 1 25  23 2  o 74.42281 26.89787 153.7722       150.6387 211.9989       157.7364 -449.8984      507.8913 83.00114 27.66121 80.99807 38.60943 2.003075       47.49559 
1 1 1 25  23 3  o 96.45078 23.69935 299.5734       133.0819 329.9366       137.9000 -112.3050      507.8961 101.2698 23.64915 92.44225 42.18975 8.827538       48.36587 
1 1 1 25  23 4  o 178.9901 15.45229 970.1971       160.6212 988.3455       170.6051 828.6107       476.5229 180.3483 16.30579 148.0160 48.01576 32.33221       50.70890 
1 1 1 25  23 5  o 86.55628 39.73659 -143.7806      459.4399 -143.7806      459.4399 0.000000       0.000000 86.55628 39.73659 ?        ?        0.000000       39.73659 
1 1 1 25  23 6  o 144.2551 18.55556 643.4479       153.3525 643.4479       153.3525 0.000000       0.000000 144.2551 18.55556 ?        ?        0.000000       18.55556 
1 1 1 25  23 7  o 117.2024 21.10043 435.2236       139.7038 435.2236       139.7038 0.000000       0.000000 117.2024 21.10043 ?        ?        0.000000       21.10043 
1 1 1 25  23 8  o 145.7889 17.15434 654.0502       143.8687 654.0502       143.8687 0.000000       0.000000 145.7889 17.15434 ?        ?        0.000000       17.15434 
1 1 1 25  23 9  o 56.86856 23.34697 46.41563       124.6905 46.41563       124.6905 0.000000       0.000000 56.86856 23.34697 ?        ?        0.000000       23.34697 
1 1 1 25  23 10 o 99.82370 23.70114 326.0031       136.6739 326.0031       136.6739 0.000000       0.000000 99.82370 23.70114 ?        ?        0.000000       23.70114 
1 1 1 25  23 11 o 170.2625 17.03453 893.2532       167.8167 893.2532       167.8167 0.000000       0.000000 170.2625 17.03453 ?        ?        0.000000       17.03453 
1 1 1 25  23 12 o 193.9608 17.42508 1161.346       196.1059 1161.346       196.1059 0.000000       0.000000 193.9608 17.42508 ?        ?        0.000000       17.42508 
1 1 1 25  23 13 o 70.31216 26.29773 135.8112       146.0220 135.8112       146.0220 0.000000       0.000000 70.31216 26.29773 ?        ?        0.000000       26.29773 
1 1 1 25  23 14 o 44.30564 20.71146 -109.0014      133.5875 -109.0014      133.5875 0.000000       0.000000 44.30564 20.71146 ?        ?        0.000000       20.71146 
1 1 1 25  23 15 o 97.70340 25.92724 322.3931       151.0071 322.3931       151.0071 0.000000       0.000000 97.70340 25.92724 ?        ?        0.000000       25.92724 
1 1 1 25  23 16 o 129.5657 22.39104 545.9468       163.9914 545.9468       163.9914 0.000000       0.000000 129.5657 22.39104 ?        ?        0.000000       22.39104 
1 1 1 25  23 17 o 50.32159 22.83397 -56.07408      146.0989 -122.7549      160.6519 262.7553       351.2891 48.48249 22.67990 94.83761 39.08754 -46.35511      45.19085 
1 1 1 25  23 18 o 192.2999 14.85829 1135.525       166.2720 1228.872       193.1015 867.8683       326.9835 198.9293 16.70564 150.9761 37.17912 47.95326       40.75985 
1 1 1 25  23 19 o 74.66434 27.00074 174.0198       151.8207 149.8781       172.5272 256.8734       319.6167 73.13914 28.28849 91.57020 37.46191 -18.43106      46.94287 
1 1 1 25  23 20 o 173.3199 16.57978 938.3906       166.4781 844.3857       192.2394 1220.323       332.9200 161.6053 20.76229 184.0879 31.99722 -22.48257      38.14309 
1 1 1 25  23 21 o 153.1059 18.22041 744.3884       160.4009 787.3798       185.0928 614.7301       321.4389 155.8028 20.77367 122.2675 39.41698 33.53529       44.55608 
1 1 1 25  23 22 o 126.5961 21.05827 526.1866       150.8583 503.0247       177.3926 586.7063       286.7461 120.5737 25.86160 120.9709 36.98743 -0.3972473     45.13195 
1 1 1 25  23 23 o 85.75394 26.75519 258.1326       149.1480 222.9601       177.6507 342.1311       274.5370 81.05292 29.22126 95.35969 35.97511 -14.30677      46.34750 
1 1 1 25  23 24 o 44.37004 21.10732 -147.4244      150.2398 -27.34452      180.4259 -418.9706      271.3224 56.92820 25.64639 51.85835 25.50582 5.069855       36.17021 
1 1 1 25  23 25 o 127.7638 21.60247 544.8895       156.1043 617.5463       195.4959 417.0534       259.3141 132.7084 26.04864 101.8902 35.43838 30.81821       43.98193 
1 1 1 25  23 26 o 62.01303 25.57401 81.09854       150.4973 -164.4303      193.7861 454.2357       238.8943 50.53542 24.02073 106.7675 33.93612 -56.23204      41.57710 
1 1 1 25  23 27 o 101.8675 28.42061 384.2470       176.1973 241.4039       233.0021 575.0294       269.2770 83.37446 32.69524 117.8288 35.80672 -34.45437      48.48814 
1 1 1 25  23 28 o 46.09897 22.79801 -399.7924      227.1996 -275.6029      294.6083 -582.0449      356.8939 58.40682 28.24061 56.27746 27.96033 2.129360       39.74056 
1 1 1 25  23 29 o 65.55849 28.95044 43.33462       218.2263 -74.09739      308.1297 161.5148       309.1097 67.53750 31.53341 79.98508 34.91296 -12.44759      47.04541 
1 1 1 25  23 30 o 44.96119 21.54683 -168.4219      162.7721 -227.6462      230.2853 -109.2909      230.1038 52.32386 25.21713 57.59955 27.00857 -5.275692      36.95087 
1 1 1 25  24 0  o 57.68931 23.51585 50.85303       125.3856 70.70531       135.5054 -67.36230      330.6650 61.65135 24.68942 76.85087 34.66170 -15.19952      42.55586 
1 1 1 25  24 1  o 57.07905 23.11301 53.09422       120.1877 5.702897       128.7207 375.4074       335.6898 53.30728 22.89741 107.6994 39.95223 -54.39213      46.04859 
1 1 1 25  24 2  o 172.3632 34.42798 1019.603       335.8344 665.5972       486.6844 1341.391       464.0095 132.8021 48.29772 191.4595 42.43893 -58.65733      64.29411 
1 1 1 25  24 3  o 167.1273 15.56440 850.2565       150.8026 865.1005       158.8845 715.3817       478.9306 168.2969 16.30125 136.2909 48.10454 32.00595       50.79151 
1 1 1 25  24 4  o 63.27208 30.38826 -370.5485      327.7490 -459.2674      475.0177 -289.9368      452.7945 76.22855 36.60393 79.48147 37.46149 -3.252914      52.37567 
1 1 1 25  24 5  o 112.0754 21.66332 401.8090       137.2397 401.8090       137.2397 0.000000       0.000000 112.0754 21.66332 ?        ?        0.000000       21.66332 
1 1 1 25  24 6  f 80.59672 23.44348 209.7351       117.4427 231.5496       121.0524 -139.7673      484.5363 84.41449 23.55915 87.18359 40.30545 -2.769096      46.68579 
1 1 1 25  24 7  o 189.2021 14.62474 1086.668       161.0210 1086.668       161.0210 0.000000       0.000000 189.2021 14.62474 ?        ?        0.000000       14.62474 
1 1 1 25  24 8  o 77.36824 24.38779 191.4938       123.6032 191.4938       123.6032 0.000000       0.000000 77.36824 24.38779 ?        ?        0.000000       24.38779 
1 1 1 25  24 9  o 117.4242 19.99868 438.0297       132.7926 438.0297       132.7926 0.000000       0.000000 117.4242 19.99868 ?        ?        0.000000       19.99868 
1 1 1 25  24 10 o 186.4464 14.58800 1058.369       158.2453 1058.369       158.2453 0.000000       0.000000 186.4464 14.58800 ?        ?        0.000000       14.58800 
1 1 1 25  24 11 o 138.3027 17.91741 597.4567       141.9182 597.4567       141.9182 0.000000       0.000000 138.3027 17.91741 ?        ?        0.000000       17.91741 
1 1 1 25  24 12 o 67.62911 24.21317 133.6097       121.7371 133.6097       121.7371 0.000000       0.000000 67.62911 24.21317 ?        ?        0.000000       24.21317 
1 1 1 25  24 13 o 85.51163 25.04205 243.6145       133.6064 243.6145       133.6064 0.000000       0.000000 85.51163 25.04205 ?        ?        0.000000       25.04205 
1 1 1 25  24 14 o 85.54779 25.06175 244.4812       133.7957 244.4812       133.7957 0.000000       0.000000 85.54779 25.06175 ?        ?        0.000000       25.06175 
1 1 1 25  24 15 o 166.4115 16.11277 856.4131       155.2897 856.4131       155.2897 0.000000       0.000000 166.4115 16.11277 ?        ?        0.000000       16.11277 
1 1 1 25  24 16 o 100.6718 25.46026 344.8173       150.3954 344.8173       150.3954 0.000000       0.000000 100.6718 25.46026 ?        ?        0.000000       25.46026 
1 1 1 25  24 17 o 59.13439 25.01120 41.85940       149.4584 41.85940       149.4584 0.000000       0.000000 59.13439 25.01120 ?        ?        0.000000       25.01120 
1 1 1 25  24 18 o 123.4436 20.22071 493.7577       141.3274 534.8536       158.8291 337.5060       309.7016 127.4974 22.03810 97.23798 37.82050 30.25938       43.77291 
1 1 1 25  24 19 o 83.54714 26.18240 239.1126       142.6664 142.9358       157.7939 669.7957       333.9135 70.82708 27.14209 127.2298 40.08154 -56.40275      48.40685 
1 1 1 25  24 20 o 76.60091 25.58537 195.6752       134.9369 167.9908       147.4712 338.0784       334.4640 73.12506 26.58740 96.85270 38.78806 -23.72764      47.02556 
1 1 1 25  24 21 o 80.00937 25.26536 218.7236       132.6038 261.2226       144.4837 -8.293490      333.9325 86.55436 26.21316 75.00154 34.22220 11.55282       43.10787 
1 1 1 25  24 22 o 60.38088 24.35811 81.27582       132.9243 73.85284       150.3382 107.8648       284.5320 61.68282 25.51100 77.13406 33.58506 -15.45124      42.17543 
1 1 1 25  24 23 o 133.9074 19.02295 580.8410       145.1955 545.6343       169.4901 677.9238       281.4515 126.5572 23.70625 130.0091 35.78673 -3.451927      42.92641 
1 1 1 25  24 24 o 84.99623 25.86882 255.6951       140.4751 76.26170       166.7398 694.5159       260.7542 63.42528 26.59794 133.7295 33.35933 -70.30426      42.66492 
1 1 1 25  24 25 o 71.02977 26.10610 162.1132       142.7576 36.30505       170.5325 456.7644       260.9798 60.15086 26.09719 105.6018 35.58545 -45.45090      44.12922 
1 1 1 25  24 26 o 52.63750 24.34181 -77.00622      176.9199 31.71517       193.3260 -637.2460      438.8537 62.32943 27.39705 62.51582 31.05048 -0.1863937     41.40931 
1 1 1 25  24 27 o 74.89322 30.64098 164.1555       213.8381 86.21373       225.9462 833.4583       662.1115 69.39587 30.07419 114.1356 50.41359 -44.73973      58.70253 
1 1 1 25  24 28 f 85.07217 30.68430 268.7117       195.9121 117.5718       239.8784 571.4753       339.5108 72.71075 31.24521 110.8893 40.33780 -38.17853      51.02353 
1 1 1 25  24 29 o 97.35307 25.42218 341.8665       146.6958 333.4872       228.6937 347.7246       191.2184 91.68044 33.14093 94.79128 30.38689 -3.110832      44.96315 
1 1 1 25  25 0  o 119.7554 18.96752 450.6084       128.7825 521.1397       140.7224 87.08733       319.4750 128.8577 19.20684 83.58927 35.99080 45.26839       40.79510 
1 1 1 25  25 1  o 97.23181 22.93156 308.2195       128.6282 358.7278       140.2050 39.70919       323.2682 104.8577 23.39373 80.98336 35.51717 23.87430       42.52924 
1 1 1 25  25 2  o 168.5244 15.00840 865.4534       146.7861 792.6242       155.1036 1490.385       454.3446 160.4961 16.72310 202.2087 39.72974 -41.71260      43.10585 
1 1 1 25  25 3  o 152.4235 15.70498 712.0318       138.3840 687.6802       144.3781 987.1713       485.3038 149.3209 16.77643 154.9521 48.24923 -5.631149      51.08265 
1 1 1 25  25 4  o 57.23548 28.06713 -518.6010      320.9078 -698.7206      451.1221 -334.0875      456.5915 66.85210 32.88190 77.25082 36.76247 -10.39872      49.32240 
1 1 1 25  25 5  o 182.3025 13.98197 1008.319       148.3488 1000.596       155.4252 1087.383       497.3064 181.2607 14.74799 161.6670 48.56017 19.59377       50.75031 
1 1 1 25  25 6  o 85.88013 24.09011 242.8622       126.2288 302.9170       130.9447 -546.1359      474.6267 95.92362 23.47124 72.49996 35.23966 23.42366       42.34068 
1 1 1 25  25 7  o 171.2572 14.36256 893.2116       142.9274 893.2116       142.9274 0.000000       0.000000 171.2572 14.36256 ?        ?        0.000000       14.36256 
1 1 1 25  25 8  o 87.87957 23.96383 255.5430       126.8860 255.5430       126.8860 0.000000       0.000000 87.87957 23.96383 ?        ?        0.000000       23.96383 
1 1 1 25  25 9  f 215.6810 13.98958 1412.935       176.0020 1412.935       176.0020 0.000000       0.000000 215.6810 13.98958 ?        ?        0.000000       13.98958 
1 1 1 25  25 10 o 148.0740 15.98376 677.0922       136.6092 677.0922       136.6092 0.000000       0.000000 148.0740 15.98376 ?        ?        0.000000       15.98376 
1 1 1 25  25 11 o 127.6320 18.90041 515.5814       137.2052 515.5814       137.2052 0.000000       0.000000 127.6320 18.90041 ?        ?        0.000000       18.90041 
1 1 1 25  25 12 o 109.2968 21.65118 389.4079       133.8746 389.4079       133.8746 0.000000       0.000000 109.2968 21.65118 ?        ?        0.000000       21.65118 
1 1 1 25  25 13 o 83.21896 24.54486 231.1077       127.9667 231.1077       127.9667 0.000000       0.000000 83.21896 24.54486 ?        ?        0.000000       24.54486 
1 1 1 25  25 14 f 166.8243 15.48097 858.9530       149.7355 858.9530       149.7355 0.000000       0.000000 166.8243 15.48097 ?        ?        0.000000       15.48097 
1 1 1 25  25 15 o 74.34203 25.17670 178.1674       130.6381 178.1674       130.6381 0.000000       0.000000 74.34203 25.17670 ?        ?        0.000000       25.17670 
1 1 1 25  25 16 o 47.63107 21.66224 -53.33076      132.4141 -53.33076      132.4141 0.000000       0.000000 47.63107 21.66224 ?        ?        0.000000       21.66224 
1 1 1 25  25 17 o 77.00165 25.00472 197.8260       129.2103 213.9255       140.3721 108.4998       330.6461 79.67272 26.07526 81.75858 35.88677 -2.085854      44.35966 
1 1 1 25  25 18 o 51.19540 22.19096 8.138220       123.0670 63.45054       133.7572 -296.9926      314.1588 58.80162 24.16510 61.48859 29.58819 -2.686962      38.20227 
1 1 1 25  25 19 o 38.07136 18.18162 -130.9043      113.7393 -115.5933      120.4534 -256.8727      345.5000 40.51949 19.16526 65.89088 31.52733 -25.37139      36.89553 
1 1 1 25  25 20 o 123.7954 17.67817 489.4019       124.7081 467.8315       133.1930 642.7042       355.0800 119.9015 19.61903 121.1860 41.49903 -1.284470      45.90289 
1 1 1 25  25 21 o 91.59888 23.53473 288.9005       127.0995 355.6075       138.7155 -60.09597      317.2853 101.7233 23.69420 70.45370 32.58680 31.26955       40.29038 
1 1 1 25  25 22 o 75.43577 24.81991 193.5804       127.1116 275.5679       145.4532 -71.39835      261.4898 88.12195 26.21339 64.16054 29.64320 23.96141       39.57096 
1 1 1 25  25 23 o 57.35122 23.68075 62.56796       129.2532 56.61835       150.2225 79.52859       253.6367 59.46708 25.10965 71.93430 31.50681 -12.46722      40.28863 
1 1 1 25  25 24 o 77.36426 31.38084 180.1004       221.9879 29.56699       343.0938 288.4968       291.1414 75.72771 34.60495 89.12695 36.01528 -13.39923      49.94600 
1 1 1 25  25 25 o 59.94851 28.61222 -196.5659      280.7847 105.8631       376.0681 -577.5308      422.0824 80.89614 36.67857 62.31190 30.86218 18.58424       47.93528 
1 1 1 25  25 26 o 73.04649 31.87607 103.8508       257.5294 64.09919       409.4336 129.8725       331.2643 80.27538 37.09003 79.25372 35.29618 1.021652       51.20049 
1 1 1 25  25 27 o 49.35157 22.29223 -30.46221      137.3690 -89.02402      173.2057 68.82616       225.5299 51.10376 23.78745 67.93247 29.73306 -16.82871      38.07752 
1 1 1 25  25 28 o 54.76853 23.32867 40.50156       131.5966 66.77861       182.6399 12.13082       189.7766 63.41637 27.25768 59.93045 26.70134 3.485928       38.15681 
1 1 1 25  26 0  o 145.9197 16.83610 659.8160       141.4420 743.1194       157.6084 315.1000       320.6113 154.5303 17.71024 99.04984 38.49331 55.48049       42.37201 
1 1 1 25  26 1  o 82.28357 24.35328 222.6442       125.7973 254.9857       131.2152 -144.9103      442.3490 87.67099 24.55012 81.80566 38.05680 5.865334       45.28828 
1 1 1 25  26 2  o 162.4877 15.01866 808.1600       141.5017 815.9271       148.7934 734.6896       457.6246 162.9279 15.76864 133.0250 47.01602 29.90292       49.58988 
1 1 1 25  26 3  o 93.44816 22.88463 287.6072       124.4027 337.0026       128.9382 -377.6879      473.2010 101.5279 22.26844 76.53698 36.69461 24.99094       42.92292 
1 1 1 25  26 4  o 73.66794 33.67216 -79.16252      325.1136 -296.6876      449.6845 159.0555       470.5877 76.91962 36.57025 96.53018 42.57508 -19.61056      56.12505 
1 1 1 25  26 5  o 136.5705 37.88864 701.6923       314.1093 645.9493       410.0406 780.8627       488.6670 126.5316 44.52334 134.8648 48.48434 -8.333138      65.82597 
1 1 1 25  26 6  o 53.10896 21.72741 43.96535       107.5154 21.17370       110.1116 510.2694       498.0576 50.82082 21.48013 116.0154 47.02430 -65.19454      51.69798 
1 1 1 25  26 7  o 104.5408 20.25766 352.3158       119.7154 352.3158       119.7154 0.000000       0.000000 104.5408 20.25766 ?        ?        0.000000       20.25766 
1 1 1 25  26 8  o 112.8383 19.84705 408.1071       126.5487 408.1071       126.5487 0.000000       0.000000 112.8383 19.84705 ?        ?        0.000000       19.84705 
1 1 1 25  26 9  f 137.2371 17.00898 587.7367       133.9709 587.7367       133.9709 0.000000       0.000000 137.2371 17.00898 ?        ?        0.000000       17.00898 
1 1 1 25  26 10 o 133.2239 45.51371 754.2262       427.0499 754.2262       427.0499 0.000000       0.000000 133.2239 45.51371 ?        ?        0.000000       45.51371 
1 1 1 25  26 11 f 142.3113 16.85754 632.0834       137.9676 632.0834       137.9676 0.000000       0.000000 142.3113 16.85754 ?        ?        0.000000       16.85754 
1 1 1 25  26 12 o 155.1449 16.82155 750.9699       150.6111 750.9699       150.6111 0.000000       0.000000 155.1449 16.82155 ?        ?        0.000000       16.82155 
1 1 1 25  26 13 f 56.72764 22.73591 65.86016       115.0060 65.86016       115.0060 0.000000       0.000000 56.72764 22.73591 ?        ?        0.000000       22.73591 
1 1 1 25  26 14 o 73.41441 25.10110 173.9153       129.8966 173.9153       129.8966 0.000000       0.000000 73.41441 25.10110 ?        ?        0.000000       25.10110 
1 1 1 25  26 15 o 56.20652 23.25518 51.29704       124.9930 51.29704       124.9930 0.000000       0.000000 56.20652 23.25518 ?        ?        0.000000       23.25518 
1 1 1 25  26 16 o 78.27514 25.03690 206.5092       129.8664 206.5092       129.8664 0.000000       0.000000 78.27514 25.03690 ?        ?        0.000000       25.03690 
1 1 1 25  26 17 o 154.0482 14.57087 734.4598       130.0770 787.5163       139.8253 393.2652       354.5829 159.2206 15.15655 100.9792 40.10379 58.24141       42.87231 
1 1 1 25  26 18 o 83.38005 22.15470 234.9884       110.1704 287.3204       116.6222 -199.1152      335.8875 92.39994 21.86395 66.83673 31.72740 25.56321       38.53129 
1 1 1 25  26 19 o 70.91310 22.91302 166.8871       108.5772 187.0256       114.9126 -0.7906415     331.5830 74.47787 23.51981 74.58440 34.05851 -0.1065292     41.39038 
1 1 1 25  26 20 o 106.0361 20.41666 372.7209       122.3600 331.5270       132.9519 600.7907       312.8326 98.16264 23.42171 118.5051 38.93438 -20.34251      45.43636 
1 1 1 25  26 21 o 68.36313 24.31371 149.9725       122.5482 169.8885       137.4093 72.55083       270.9234 71.99737 25.73061 73.06207 32.26084 -1.064697      41.26532 
1 1 1 25  26 22 o 110.2351 20.69658 405.5370       128.8914 441.7353       148.0465 292.1743       261.9926 113.6103 23.00910 88.95573 34.73236 24.65455       41.66240 
1 1 1 25  26 23 o 187.8548 12.76275 1084.472       139.7753 1197.430       160.7281 733.9731       283.1237 196.5047 14.03909 134.5260 35.40920 61.97867       38.09078 
1 1 1 25  26 24 o 87.78608 32.72941 290.7135       225.8241 201.4953       376.1806 340.9792       282.3615 85.44411 37.85751 92.67094 36.09322 -7.226830      52.30594 
1 1 1 25  26 25 o 120.3503 19.14517 476.8967       130.6099 554.3093       153.4954 273.7903       248.6286 128.4859 21.10183 85.99223 33.75827 42.49371       39.81091 
1 1 1 25  26 26 o 35.34345 17.24669 -185.2074      116.8183 -100.6730      141.5098 -366.0652      206.9847 45.06297 21.14611 44.15036 21.82076 0.9126129      30.38591 
1 1 1 25  26 27 o 140.7798 15.54115 628.6365       126.1808 710.8779       169.2062 525.6072       189.3875 146.1363 20.28930 119.3591 27.60501 26.77722       34.25920 
1 1 1 25  27 0  o 55.06779 22.60156 47.81130       116.8150 74.16122       125.1878 -129.6439      324.8752 59.59642 23.77638 70.74914 32.81069 -11.15271      40.51984 
1 1 1 25  27 1  o 77.08336 23.60944 194.5306       116.7668 205.6433       120.9759 43.11688       446.5520 79.03044 23.99685 88.70620 40.11883 -9.675758      46.74793 
1 1 1 25  27 2  o 110.2711 19.50896 389.3936       121.5518 368.4403       126.7546 629.0304       428.6609 106.5032 21.03975 123.3810 45.25581 -16.87778      49.90751 
1 1 1 25  27 3  o 88.36113 22.25077 257.9420       115.2208 221.0692       119.1268 792.7230       453.6749 81.67367 23.56791 135.4337 46.88682 -53.75999      52.47685 
1 1 1 25  27 4  o 236.0122 25.87408 1841.383       352.2736 1886.073       485.2763 1791.597       512.1931 225.2197 38.09644 214.2520 42.26427 10.96773       56.89998 
1 1 1 25  27 5  f 95.05537 20.93057 295.1215       113.5203 300.1439       116.7570 208.2818       485.4946 95.70786 21.34482 98.07137 43.24994 -2.363510      48.23026 
1 1 1 25  27 6  o 50.05955 21.00088 25.87157       104.0093 62.70553       106.5325 -724.2028      480.7400 55.25169 21.96941 67.59184 33.37837 -12.34015      39.95961 
1 1 1 25  27 7  o 48.18586 21.19592 -12.69483      115.9118 -12.69483      115.9118 0.000000       0.000000 48.18586 21.19592 ?        ?        0.000000       21.19592 
1 1 1 25  27 8  o 43.00323 19.81367 -70.79697      115.6772 -70.79697      115.6772 0.000000       0.000000 43.00323 19.81367 ?        ?        0.000000       19.81367 
1 1 1 25  27 9  o 146.9632 16.75250 674.3859       141.8153 674.3859       141.8153 0.000000       0.000000 146.9632 16.75250 ?        ?        0.000000       16.75250 
1 1 1 25  27 10 o 130.3866 18.78373 541.3933       139.4983 541.3933       139.4983 0.000000       0.000000 130.3866 18.78373 ?        ?        0.000000       18.78373 
1 1 1 25  27 11 o 139.4817 17.41201 612.9342       139.3414 612.9342       139.3414 0.000000       0.000000 139.4817 17.41201 ?        ?        0.000000       17.41201 
1 1 1 25  27 12 o 56.89559 23.00317 64.31120       118.8405 64.31120       118.8405 0.000000       0.000000 56.89559 23.00317 ?        ?        0.000000       23.00317 
1 1 1 25  27 13 o 69.08138 24.02845 150.7584       119.2155 150.7584       119.2155 0.000000       0.000000 69.08138 24.02845 ?        ?        0.000000       24.02845 
1 1 1 25  27 14 o 137.4229 16.81668 595.1667       132.7136 595.1667       132.7136 0.000000       0.000000 137.4229 16.81668 ?        ?        0.000000       16.81668 
1 1 1 25  27 15 o 89.59827 21.68325 269.2999       112.6975 269.2999       112.6975 0.000000       0.000000 89.59827 21.68325 ?        ?        0.000000       21.68325 
1 1 1 25  27 16 o 73.43240 22.50329 180.2946       106.0635 180.2946       106.0635 0.000000       0.000000 73.43240 22.50329 ?        ?        0.000000       22.50329 
1 1 1 25  27 17 o 170.5561 12.56492 889.3938       124.8010 847.9052       132.5492 1213.463       370.4518 165.8454 13.75124 175.1201 37.21823 -9.274765      39.67736 
1 1 1 25  27 18 o 75.04173 22.51050 190.6487       106.9173 166.0094       113.2287 393.3649       324.7783 70.73747 23.43184 99.07919 38.67491 -28.34171      45.21946 
1 1 1 25  27 19 o 73.54660 23.11392 183.2226       111.1076 187.6544       120.1086 156.9346       292.5249 74.32968 24.10574 80.13969 34.47165 -5.810013      42.06401 
1 1 1 25  27 20 o 32.00465 15.78804 -210.0771      106.5827 -171.5071      114.5130 -459.9719      291.4798 35.68518 17.33706 52.74320 26.03545 -17.05802      31.27967 
1 1 1 25  27 21 o 132.8134 15.32353 555.5958       117.1721 601.5048       130.1741 359.6067       268.9621 137.5410 16.46445 95.03043 35.66007 42.51053       39.27746 
1 1 1 25  27 22 o 108.0667 31.67286 454.5298       213.6539 107.4234       333.3373 696.5602       278.3477 78.65522 35.19203 130.5188 35.45245 -51.86356      49.95353 
1 1 1 25  27 23 o 122.7996 17.07090 485.3192       119.6233 498.7485       134.3245 433.8451       262.9800 123.1087 19.23317 101.7442 35.66766 21.36453       40.52280 
1 1 1 25  27 24 o 76.91280 22.62262 205.2982       108.8333 354.9467       124.2896 -286.6355      225.3470 102.0355 21.45173 49.45717 24.09398 52.57836       32.25983 
1 1 1 25  27 25 o 56.25827 25.18773 -6.313297      171.0575 -532.4493      470.2241 73.93212       183.6394 66.31023 32.79420 64.20059 27.45811 2.109642       42.77157 
1 1 1 25  27 26 o 49.91326 20.53778 45.23595       96.77136 156.2131       119.9160 -161.9895      163.8634 68.34739 24.07525 45.35914 21.70574 22.98825       32.41538 
1 1 1 25  28 0  o 199.0146 13.45016 1205.952       156.0646 1334.473       176.2161 738.4649       336.0808 208.7897 14.48056 136.4851 39.64583 72.30455       42.20756 
1 1 1 25  28 1  o 143.4115 15.13476 635.1366       125.3771 609.8658       130.9527 913.0850       434.2966 139.9696 16.25449 145.2224 45.70575 -5.252747      48.51004 
1 1 1 25  28 2  o 73.22841 23.02559 174.6368       110.2464 139.1709       113.7704 720.6772       446.4119 67.39474 23.47136 128.2933 46.31245 -60.89859      51.92059 
1 1 1 25  28 3  o 235.0564 12.07727 1669.173       165.9331 1714.336       178.0989 1372.071       456.7970 237.7845 12.81846 184.0273 43.08812 53.75714       44.95441 
1 1 1 25  28 4  o 53.88646 26.82081 -671.8788      334.4023 -1006.764      459.7085 -295.5386      487.3319 59.96845 30.08521 78.28905 37.45523 -18.32061      48.04179 
1 1 1 25  28 5  o 51.23496 21.75965 21.48886       113.9106 53.02498       117.6657 -449.0810      454.5251 55.55766 22.72963 71.23755 34.59360 -15.67989      41.39267 
1 1 1 25  28 6  o 57.86991 22.81615 75.67310       114.0012 100.2924       117.7518 -292.4336      455.3195 61.73849 23.49855 75.59517 36.17658 -13.85667      43.13846 
1 1 1 25  28 7  o 129.1954 17.94757 528.9343       132.3216 528.9343       132.3216 0.000000       0.000000 129.1954 17.94757 ?        ?        0.000000       17.94757 
1 1 1 25  28 8  o 119.9930 19.93011 465.7301       135.3361 465.7301       135.3361 0.000000       0.000000 119.9930 19.93011 ?        ?        0.000000       19.93011 
1 1 1 25  28 9  o 82.68810 24.01610 231.7965       123.3325 231.7965       123.3325 0.000000       0.000000 82.68810 24.01610 ?        ?        0.000000       24.01610 
1 1 1 25  28 10 f 81.74815 23.74995 226.6225       120.5984 226.6225       120.5984 0.000000       0.000000 81.74815 23.74995 ?        ?        0.000000       23.74995 
1 1 1 25  28 11 o 150.0057 16.82524 708.0891       145.4716 708.0891       145.4716 0.000000       0.000000 150.0057 16.82524 ?        ?        0.000000       16.82524 
1 1 1 25  28 12 o 191.4307 13.78345 1125.376       153.7102 1125.376       153.7102 0.000000       0.000000 191.4307 13.78345 ?        ?        0.000000       13.78345 
1 1 1 25  28 13 f 162.4854 14.42509 816.4670       136.0352 816.4670       136.0352 0.000000       0.000000 162.4854 14.42509 ?        ?        0.000000       14.42509 
1 1 1 25  28 14 o 42.00321 19.02852 -39.10736      100.9622 -39.10736      100.9622 0.000000       0.000000 42.00321 19.02852 ?        ?        0.000000       19.02852 
1 1 1 25  28 15 o 159.0016 13.76726 780.0777       127.1169 780.0777       127.1169 0.000000       0.000000 159.0016 13.76726 ?        ?        0.000000       13.76726 
1 1 1 25  28 16 o 87.08482 20.66845 254.3360       103.9676 259.7491       108.2967 190.6611       371.4283 87.74203 21.26919 86.56190 38.01408 1.180130       43.55972 
1 1 1 25  28 17 f 102.6219 34.08163 416.8964       239.5033 651.3245       349.8595 210.1425       328.5606 120.0660 41.19044 85.37287 36.62498 34.69316       55.11843 
1 1 1 25  28 18 o 119.7690 16.92817 458.9719       115.5954 522.1966       125.9207 120.1913       291.4829 127.6634 17.25995 77.30067 33.81852 50.36278       37.96838 
1 1 1 25  28 19 o 73.41437 22.35357 183.7035       104.8761 197.2003       112.1037 89.04240       296.8857 75.71954 23.12199 75.46442 33.52301 0.2551270      40.72369 
1 1 1 25  28 20 o 36.40981 16.99176 -68.45743      89.29634 -67.10383      93.82045 -81.48599      291.0722 37.63218 17.51354 65.94716 30.74350 -28.31498      35.38201 
1 1 1 25  28 21 o 54.98927 20.82483 82.80929       92.19827 27.01751       99.34840 429.0892       247.5081 48.26130 20.40107 102.1701 34.65396 -53.90882      40.21318 
1 1 1 25  28 22 o 139.6172 13.30994 605.4314       107.6675 551.0787       119.4900 840.0457       248.2550 131.6866 15.78599 150.5962 29.16204 -18.90965      33.16055 
1 1 1 25  28 23 o 117.7785 14.68457 437.7078       99.23543 496.1708       111.0296 205.5510       221.2527 125.0212 15.47266 78.61787 31.52637 46.40337       35.11859 
1 1 1 25  28 24 o 121.2306 13.68885 459.5247       95.62604 499.2372       110.6915 342.6929       189.8591 125.4400 15.36679 94.07402 30.29042 31.36599       33.96539 
1 1 1 25  29 0  o 141.9120 14.85023 623.3571       121.7677 577.3290       131.9409 887.7788       316.2398 135.4455 16.98207 152.5629 35.93954 -17.11736      39.74974 
1 1 1 25  29 1  o 84.38979 22.24127 238.4997       111.6098 210.0867       116.0407 589.3779       407.7835 79.13515 23.38170 116.9999 43.90781 -37.86480      49.74535 
1 1 1 25  29 2  o 107.9808 18.93637 375.8314       115.5503 368.1131       119.7067 481.2222       442.3422 106.3518 19.92408 108.9164 44.25394 -2.564568      48.53226 
1 1 1 25  29 3  o 122.6191 18.07601 479.0111       126.0958 490.1990       131.7406 356.7877       435.4354 123.7104 18.74430 101.0813 42.71890 22.62911       46.65033 
1 1 1 25  29 4  o 90.43996 39.12150 208.9026       380.9151 208.9026       380.9151 0.000000       0.000000 90.43996 39.12150 ?        ?        0.000000       39.12150 
1 1 1 25  29 5  o 41.09874 19.04784 -73.56728      109.2275 -72.37826      112.6196 -92.41857      448.4251 41.94567 19.40573 80.61350 37.76905 -38.66784      42.46273 
1 1 1 25  29 6  o 84.52301 22.77783 241.5807       115.4443 259.6605       119.2590 -27.54441      460.1207 87.54175 22.95200 83.49825 38.83389 4.043503       45.10949 
1 1 1 25  29 7  o 93.12621 22.64696 293.0999       122.4800 293.0999       122.4800 0.000000       0.000000 93.12621 22.64696 ?        ?        0.000000       22.64696 
1 1 1 25  29 8  o 131.3807 18.20535 551.7012       136.5104 551.7012       136.5104 0.000000       0.000000 131.3807 18.20535 ?        ?        0.000000       18.20535 
1 1 1 25  29 9  o 125.5678 18.80656 507.6264       134.2394 507.6264       134.2394 0.000000       0.000000 125.5678 18.80656 ?        ?        0.000000       18.80656 
1 1 1 25  29 10 o 118.1422 18.60957 449.8602       124.6800 449.8602       124.6800 0.000000       0.000000 118.1422 18.60957 ?        ?        0.000000       18.60957 
1 1 1 25  29 11 o 84.93258 22.36558 244.7907       112.9218 244.7907       112.9218 0.000000       0.000000 84.93258 22.36558 ?        ?        0.000000       22.36558 
1 1 1 25  29 12 o 106.5011 18.54586 367.8120       111.6315 367.8120       111.6315 0.000000       0.000000 106.5011 18.54586 ?        ?        0.000000       18.54586 
1 1 1 25  29 13 o 44.33639 19.14544 5.451753       90.91609 5.451753       90.91609 0.000000       0.000000 44.33639 19.14544 ?        ?        0.000000       19.14544 
1 1 1 25  29 14 f 46.07194 19.59574 17.40058       92.61565 17.40058       92.61565 0.000000       0.000000 46.07194 19.59574 ?        ?        0.000000       19.59574 
1 1 1 25  29 15 o 114.9603 17.03475 423.3758       111.3806 423.3758       111.3806 0.000000       0.000000 114.9603 17.03475 ?        ?        0.000000       17.03475 
1 1 1 25  29 16 o 93.83202 20.47466 295.3540       109.4984 308.3611       115.8173 185.8165       336.0973 95.50594 21.22759 83.71426 36.47517 11.79168       42.20248 
1 1 1 25  29 17 o 141.9883 14.38775 629.6685       118.1588 748.5969       128.1215 -47.05311      305.6217 155.0031 14.25337 68.91835 31.91362 86.08476       34.95194 
1 1 1 25  29 18 o 99.72866 17.68537 323.7107       99.65190 365.2297       105.9038 2.877951       294.3930 106.0875 17.64072 70.30411 32.09929 35.78336       36.62730 
1 1 1 25  29 19 o 88.57387 18.84422 260.3441       94.87816 271.9696       100.8224 170.3828       280.4651 90.16684 19.62450 79.19327 33.90333 10.97357       39.17342 
1 1 1 25  29 20 o 88.16744 18.62688 258.0460       93.29381 260.0920       101.6407 247.1012       235.0787 87.70688 20.17973 83.12679 32.76697 4.580093       38.48241 
1 1 1 25  29 21 o 47.94120 19.01657 50.78789       79.63567 53.45720       84.69047 30.40792       234.0113 49.18911 19.57858 65.87386 29.47891 -16.68475      35.38823 
1 1 1 25  29 22 o 34.52319 15.77151 -36.18387      71.20146 -32.14421      74.52470 -78.47257      241.1239 35.85026 16.28355 60.31538 28.07225 -24.46512      32.45312 
1 1 1 25  29 23 o 85.81623 16.72754 240.3958       81.16206 257.6472       90.99403 173.2579       179.5083 88.14784 18.20459 73.22422 28.70278 14.92362       33.98907 
1 1 1 25  30 0  o 103.4706 19.99310 351.7062       116.9331 838.3373       432.8587 313.3981       121.4485 132.9511 45.80898 96.53617 21.94950 36.41489       50.79610 
1 1 1 25  30 1  o 88.25648 22.43162 263.9864       116.3342 -50.04779      409.1098 291.6132       121.3436 78.63671 36.58813 92.76900 22.53025 -14.13229      42.96864 
1 1 1 25  30 2  o 135.4666 36.53211 730.2758       296.8335 483.8102       408.5922 1005.730       431.9531 106.8559 42.84507 147.6071 45.44607 -40.75127      62.45835 
1 1 1 25  30 3  o 72.82500 32.96608 5.247059       302.3272 366.1272       412.1711 -415.0348      444.8015 99.25117 41.73233 69.64544 33.91148 29.60573       53.77338 
1 1 1 25  30 4  o 58.46482 29.27940 -854.3690      426.3344 -854.3690      426.3344 0.000000       0.000000 58.46482 29.27940 ?        ?        0.000000       29.27940 
1 1 1 25  30 5  o 138.9732 15.11060 602.2824       121.1778 582.5118       125.4791 875.9147       466.8154 136.1582 16.01984 133.1173 47.44212 3.040924       50.07385 
1 1 1 25  30 6  o 188.3577 13.20368 1087.509       144.9336 1157.209       151.8425 373.4491       486.0089 194.1906 13.41504 100.7130 43.87208 93.47760       45.87725 
1 1 1 25  30 7  f 111.9563 39.42908 529.6356       321.6280 233.4709       420.7783 945.8389       498.8149 91.65431 40.34816 135.3319 48.94153 -43.67760      63.42907 
1 1 1 25  30 8  o 116.2732 18.04930 434.9923       119.0920 434.9923       119.0920 0.000000       0.000000 116.2732 18.04930 ?        ?        0.000000       18.04930 
1 1 1 25  30 9  o 114.1439 18.13159 420.1917       117.3235 420.1917       117.3235 0.000000       0.000000 114.1439 18.13159 ?        ?        0.000000       18.13159 
1 1 1 25  30 10 o 111.3000 18.64400 402.2485       117.3982 402.2485       117.3982 0.000000       0.000000 111.3000 18.64400 ?        ?        0.000000       18.64400 
1 1 1 25  30 11 o 50.85075 20.60687 49.81794       95.62099 49.81794       95.62099 0.000000       0.000000 50.85075 20.60687 ?        ?        0.000000       20.60687 
1 1 1 25  30 12 o 94.05457 20.00752 294.6143       106.9671 294.6143       106.9671 0.000000       0.000000 94.05457 20.00752 ?        ?        0.000000       20.00752 
1 1 1 25  30 13 o 158.1506 13.54844 773.6675       124.4544 773.6675       124.4544 0.000000       0.000000 158.1506 13.54844 ?        ?        0.000000       13.54844 
1 1 1 25  30 14 o 43.82132 19.23376 -4.966611      94.96696 -4.966611      94.96696 0.000000       0.000000 43.82132 19.23376 ?        ?        0.000000       19.23376 
1 1 1 25  30 15 o 172.1593 13.30374 916.1045       133.2830 916.1045       133.2830 0.000000       0.000000 172.1593 13.30374 ?        ?        0.000000       13.30374 
1 1 1 25  30 16 o 107.1219 40.88754 531.0744       357.1462 531.0744       357.1462 0.000000       0.000000 107.1219 40.88754 ?        ?        0.000000       40.88754 
1 1 1 25  30 17 o 165.9064 11.70256 841.9262       113.1355 821.9166       121.5114 972.2397       310.0931 163.2627 12.79261 155.9006 34.79783 7.362137       37.07479 
1 1 1 25  30 18 f 168.1855 11.37834 864.0255       111.5717 890.9960       123.7788 747.1646       257.6535 170.1098 12.49415 138.2460 32.35463 31.86377       34.68322 
1 1 1 25  30 19 o 126.8241 12.73836 498.5374       93.46546 520.9784       101.4892 373.2123       239.8374 129.1972 13.59781 95.46526 34.00746 33.73195       36.62523 
1 1 1 25  30 20 o 59.62239 18.32046 116.6234       70.23941 100.9995       73.45466 283.4633       240.0346 56.37104 18.87798 86.16538 33.35612 -29.79434      38.32766 
1 1 1 25  30 21 o 34.04543 15.72678 -47.16747      73.55437 -47.85674      77.24052 -40.45861      240.9758 34.97752 16.14264 62.18719 28.63269 -27.20967      32.86968 
1 1 1 25  30 22 o 81.36884 27.00350 243.3032       150.3594 172.8931       454.7806 251.9442       159.3188 84.77831 39.14194 82.39995 27.80375 2.378365       48.01187 
1 1 1 25  31 0  o 65.96033 24.71679 129.0715       129.1189 -316.1358      407.0974 178.8671       136.1484 68.68102 33.20562 73.46822 25.67028 -4.787201      41.97114 
1 1 1 25  31 1  o 48.62726 21.43048 -6.783047      119.0126 695.0118       409.0180 -71.69585      124.3949 120.9393 44.23153 44.19697 20.42885 76.74230       48.72131 
1 1 1 25  31 2  o 82.64359 24.65764 237.2348       128.5495 -400.8450      417.5600 304.0420       135.1116 67.16566 32.73801 93.44570 24.39579 -26.28004      40.82808 
1 1 1 25  31 3  o 127.4441 17.92855 521.6184       130.3039 523.9451       446.1150 521.4014       136.2453 107.4678 44.14490 126.8328 18.89199 -19.36503      48.01749 
1 1 1 25  31 4  o 65.71518 32.51261 -616.2267      463.8167 -616.2267      463.8167 0.000000       0.000000 65.71518 32.51261 ?        ?        0.000000       32.51261 
1 1 1 25  31 5  o 47.11104 21.13502 -27.16696      121.1038 2.065153       470.0271 -29.24552      125.3355 83.09866 38.84723 47.73220 21.45030 35.36645       44.37592 
1 1 1 25  31 6  o 81.25880 23.22484 227.1374       116.2134 146.1277       453.8177 232.8225       120.2221 87.81185 40.00095 82.09261 23.67211 5.719246       46.48058 
1 1 1 25  31 7  o 115.6591 18.37616 433.7255       120.4833 808.4235       440.4152 403.4150       125.2617 126.7144 45.96472 110.4835 20.07076 16.23086       50.15567 
1 1 1 25  31 8  o 47.32984 20.92909 -9.776802      114.4225 -361.4874      423.4070 17.93256       118.8444 68.17611 33.17117 50.90867 21.93580 17.26744       39.76815 
1 1 1 25  31 9  o 37.26268 17.83802 -129.5193      110.8947 -294.9687      427.7241 -117.5965      114.8210 70.19228 33.96051 38.87802 18.48261 31.31425       38.66424 
1 1 1 25  31 10 o 140.4607 15.18905 619.9258       123.1346 -56.26281      392.2516 693.8444       129.6904 75.33191 35.30407 148.7426 15.07490 -73.41064      38.38789 
1 1 1 25  31 11 o 68.39001 23.50274 154.2807       113.9177 -88.13074      370.6634 179.5659       119.7115 72.43274 34.06315 72.66413 24.09411 -0.2313919     41.72319 
1 1 1 25  31 12 o 132.2642 15.65734 553.6782       119.1011 1216.587       374.0948 478.9066       125.6386 170.4543 38.35193 121.3755 18.21118 49.07883       42.45607 
1 1 1 25  31 13 o 61.65141 23.11894 112.3882       113.0074 -426.1928      395.3874 160.2986       117.9267 63.44949 31.12256 69.31666 23.90909 -5.867172      39.24613 
1 1 1 25  31 14 o 123.1368 16.36408 484.5190       115.2535 0.000000       0.000000 484.5190       115.2535 ?        ?        123.1368 16.36408 0.000000       16.36408 
1 1 1 25  31 15 o 89.09911 20.54716 269.1593       105.1755 69.30968       344.2569 289.7335       110.4568 76.74003 34.91152 92.32755 20.88892 -15.58752      40.68367 
1 1 1 25  31 16 o 131.5864 13.25124 538.3448       100.8717 860.3110       359.2802 510.7936       105.0990 135.3665 41.40460 127.5635 14.29375 7.802925       43.80242 
1 1 1 25  31 17 o 101.3974 16.59926 332.5987       95.29866 1064.760       373.8989 281.7308       98.55357 152.7094 40.92208 91.91245 18.91411 60.79698       45.08171 
1 1 1 25  31 18 o 86.72965 30.96753 288.9171       198.9890 930.4680       391.0756 64.79089       231.1487 136.6571 43.41804 67.64933 29.83784 69.00777       52.68228 
1 1 1 25  31 19 o 148.0246 12.20347 675.4014       105.0016 1045.605       455.6909 654.6434       107.9053 137.7165 47.01597 145.3764 12.78619 -7.659882      48.72359 
1 1 1 25  31 20 o 61.60365 20.98071 123.8552       90.73522 -38.15436      464.8326 130.2728       92.51488 77.81027 37.04680 62.85558 21.18728 14.95469       42.67746 
1 1 1 25  32 0  o 76.44330 25.01575 202.2133       129.1980 387.5216       429.2758 183.7560       135.4796 97.58466 41.86378 73.69155 25.61611 23.89311       49.07913 
1 1 1 25  32 1  o 60.76829 24.66899 84.73778       137.3120 18.20220       417.6436 92.80160       145.3949 79.76949 37.06508 62.57470 25.39115 17.19479       44.92806 
1 1 1 25  32 2  o 65.04865 25.16764 120.6841       136.5935 -311.1056      408.9799 174.8960       144.9148 68.11600 33.01599 72.74030 26.36914 -4.624306      42.25384 
1 1 1 25  32 3  o 86.20535 26.23450 266.3030       144.4790 -618.2988      413.2969 389.4544       154.2084 60.88438 30.22184 104.7821 25.36820 -43.89772      39.45763 
1 1 1 25  32 4  o 64.20923 31.54363 -462.9031      411.1016 -462.9031      411.1016 0.000000       0.000000 64.20923 31.54363 ?        ?        0.000000       31.54363 
1 1 1 25  32 5  o 156.2626 15.20531 766.6906       137.5879 396.9616       427.9003 809.3245       145.3043 97.75658 41.86423 160.2665 15.65867 -62.50990      44.69685 
1 1 1 25  32 6  o 89.99076 23.99993 284.6022       128.9870 372.4166       414.1482 275.1690       135.7383 96.07943 41.16685 87.94359 25.08869 8.135841       48.20946 
1 1 1 25  32 7  o 139.9799 17.01863 627.0308       136.8468 324.4672       380.7571 671.9114       146.6456 92.72676 39.59492 144.4988 17.67162 -51.77200      43.35948 
1 1 1 25  32 8  o 84.97841 25.32508 257.7622       135.6637 96.20870       392.6144 279.6666       144.5685 81.07257 37.03626 88.02650 26.12079 -6.953934      45.32086 
1 1 1 25  32 9  o 98.97491 23.43834 342.1404       133.9376 553.6690       396.3112 314.8648       142.3111 107.0450 42.43483 93.69958 25.30666 13.34544       49.40791 
1 1 1 25  32 10 o 46.44931 21.11682 -40.74064      125.6822 -265.2783      399.4323 -16.06729      132.4075 68.00759 32.88283 49.70356 22.21332 18.30403       39.68264 
1 1 1 25  32 11 o 54.82915 23.24316 42.77708       129.5660 29.85852       388.2927 44.39570       137.4434 77.52222 35.92358 56.10224 23.86710 21.41999       43.12936 
1 1 1 25  32 12 o 86.98206 23.63708 266.8084       123.7002 818.3550       388.4403 204.5620       130.4939 128.2753 43.41382 76.32537 25.14965 51.94993       50.17235 
1 1 1 25  32 13 o 35.16346 16.70430 -96.72481      93.44290 518.2404       368.6588 -138.9462      96.59739 104.4065 41.07088 33.19759 16.08018 71.20895       44.10657 
1 1 1 25  32 14 o 39.68189 18.72481 -97.84627      113.7275 61.29396       383.0280 -113.2324      119.0984 77.89307 35.94829 39.80415 18.89431 38.08892       40.61126 
1 1 1 25  32 15 o 161.3772 13.88451 813.3513       130.1321 1404.958       392.4153 740.2532       137.9375 181.6955 38.04736 152.6859 15.62405 29.00964       41.13043 
1 1 1 25  32 16 o 56.29012 21.74861 86.03428       101.8972 57.61531       359.3701 88.51883       106.2581 76.07590 35.00513 57.13477 22.17250 18.94114       41.43644 
1 1 1 25  32 17 o 38.31524 17.96028 -78.90355      101.6126 -479.3951      368.9987 -46.04202      105.6993 59.05792 29.17873 41.84471 19.15395 17.21321       34.90376 
1 1 1 25  32 18 o 116.1062 15.58393 430.8942       103.4393 -328.4879      434.4311 476.5333       106.5023 67.71380 33.08939 122.4391 15.15484 -54.72528      36.39474 
1 1 1 25  33 0  o 80.40514 27.12254 232.3295       151.6077 -117.3230      434.3810 280.8306       161.7812 74.88473 35.69839 87.14807 27.95159 -12.26334      45.33946 
1 1 1 25  33 1  o 86.64931 26.68860 273.8186       148.9511 574.5003       421.8650 230.9961       159.2048 107.2149 43.34291 80.18987 27.77446 27.02504       51.47842 
1 1 1 25  33 2  o 116.3255 22.68920 465.1879       149.2296 -161.4436      405.0162 563.6212       160.5230 71.53877 34.20405 128.8233 22.03837 -57.28453      40.68915 
1 1 1 25  33 3  o 55.61158 23.79742 38.92874       138.0728 -435.5552      379.3145 111.4007       148.2428 61.57998 30.26149 64.52646 25.82955 -2.946484      39.78597 
1 1 1 25  33 4  o 84.86991 26.80647 262.7817       149.2660 519.5843       329.9164 196.6848       167.3767 106.3234 39.57566 75.78300 28.19234 30.54045       48.59054 
1 1 1 25  33 5  o 72.43960 25.83676 178.3649       138.4758 -131.6729      327.0480 246.0888       152.8535 66.44873 31.47405 82.25179 27.22409 -15.80305      41.61451 
1 1 1 25  33 6  o 53.51859 23.18767 23.74364       134.2497 -28.97434      379.9435 31.26446       143.5067 74.36098 34.81577 55.57280 24.02575 18.78818       42.30100 
1 1 1 25  33 7  o 54.55553 23.54250 29.90422       137.2917 -851.2900      416.4077 137.3777       145.4232 56.05545 28.19136 67.30578 25.98783 -11.25033      38.34214 
1 1 1 25  33 8  o 57.16133 24.12196 54.50861       138.5056 -225.7515      408.7720 90.85790       147.2138 69.52489 33.52961 62.03171 25.40632 7.493176       42.06799 
1 1 1 25  33 9  o 59.40789 24.38793 78.38790       136.0463 -404.9268      420.1662 134.9938       143.7927 65.43406 32.09334 66.84113 25.83281 -1.407066      41.19850 
1 1 1 25  33 10 o 46.07475 21.24506 -62.21152      133.3555 -63.19405      417.5060 -62.09989      140.7272 75.10313 35.56976 47.39558 21.84340 27.70755       41.74137 
1 1 1 25  33 11 o 43.17768 19.35272 -21.44748      101.2860 263.6133       370.1519 -44.51897      105.3050 87.03154 38.09198 41.92229 19.16253 45.10925       42.64037 
1 1 1 25  33 12 o 95.04961 17.43601 296.3148       93.61517 375.8916       360.4443 290.5587       96.94188 93.38725 39.13080 93.60966 18.31413 -0.2224045     43.20448 
1 1 1 25  33 13 o 93.92725 22.48159 308.6536       122.1913 845.3167       363.7629 240.3975       129.7293 131.4529 41.88710 81.64427 24.86193 49.80858       48.70980 
1 1 1 25  33 14 o 65.44875 24.73510 134.1485       129.9173 491.7294       384.4884 88.05993       138.0361 100.4637 41.09282 60.42064 24.65687 40.04306       47.92266 
1 1 1 25  33 15 o 111.5237 19.36400 414.9314       122.0602 971.1205       386.6826 353.3789       128.6371 139.9379 42.98309 100.7328 22.35804 39.20511       48.45027 
1 1 1 25  33 16 o 26.98761 13.53700 -249.2116      92.88335 -391.4275      404.1790 -241.2822      95.43763 63.77004 31.31763 27.89561 13.95290 35.87444       34.28523 
1 1 1 25  34 0  o 60.87609 25.71438 71.01933       157.6434 -252.3987      407.4174 127.9666       170.9598 68.15278 33.01460 67.79713 27.52470 0.3556442      42.98340 
1 1 1 25  34 1  o 73.30335 26.97730 183.9546       152.5269 -208.0574      388.8699 255.2291       165.8141 68.18172 32.83685 82.89304 28.35942 -14.71132      43.38797 
1 1 1 25  34 2  o 79.71873 26.39853 230.0920       143.7187 58.15600       350.2318 264.9067       157.5989 75.67577 34.72393 84.47205 27.62795 -8.796280      44.37403 
1 1 1 25  34 3  o 95.63710 25.85361 334.2222       148.4476 7.318597       364.8888 399.0594       162.5035 74.34408 34.57845 104.1920 26.52785 -29.84794      43.58206 
1 1 1 25  34 4  o 118.9451 22.86631 490.1942       153.7189 494.3120       372.2074 489.3474       168.7856 101.6341 40.84406 116.7807 25.37122 -15.14662      48.08260 
1 1 1 25  34 5  o 108.9325 23.03419 413.9146       142.5506 -147.5411      375.8199 508.2676       154.0636 69.23438 33.06011 121.4959 22.44831 -52.26154      39.96120 
1 1 1 25  34 6  o 47.51371 21.74523 -48.23340      136.1575 -872.3915      389.0641 66.79127       145.3488 53.02080 26.73965 59.04354 24.80147 -6.022739      36.47083 
1 1 1 25  34 7  o 54.51620 24.15778 6.876651       153.2349 -362.7852      388.4566 74.99913       166.7575 63.55144 31.10504 62.14856 26.35844 1.402878       40.77120 
1 1 1 25  34 8  o 59.19151 25.23993 58.65300       154.3362 613.0131       403.8409 -36.16189      167.0139 108.0907 42.84029 53.18427 24.24224 54.90639       49.22374 
1 1 1 25  34 9  o 82.68104 26.58986 252.2440       146.3331 182.0142       424.9295 261.6931       155.8668 83.86678 38.39484 83.73373 27.48087 0.1330490      47.21612 
1 1 1 25  34 10 o 79.37780 24.25362 225.8770       123.3213 253.7011       427.7836 223.3551       128.7888 87.02879 39.32236 78.75021 24.90332 8.278580       46.54485 
1 1 1 25  34 11 o 74.69962 21.87880 194.4491       101.9784 529.6259       407.3387 172.0366       105.3328 101.8765 42.04969 70.48835 22.54852 31.38815       47.71385 
1 1 1 25  34 12 o 78.92351 24.50905 223.7692       125.3167 322.4535       385.9684 212.1402       132.4948 89.66642 39.07788 76.85087 25.34260 12.81555       46.57605 
1 1 1 25  34 13 o 74.23112 26.26948 194.9606       142.9004 -7.217554      407.8384 223.2557       152.5726 75.49334 35.57299 78.23289 27.18469 -2.739548      44.77103 
1 1 1 25  34 14 o 111.0437 23.87996 438.7652       150.8939 656.6669       376.7821 397.1413       164.6764 111.7592 42.14877 102.9061 26.96592 8.853127       50.03679 
1 1 1 25  35 0  o 56.17826 24.69303 23.73655       157.0440 -56.50792      363.8013 42.11414       174.1008 70.81005 33.43661 59.76243 26.14132 11.04762       42.44262 
1 1 1 25  35 1  o 55.19419 24.07774 27.80744       146.8323 80.99969       333.8487 15.05025       163.4945 74.89102 34.18941 56.31011 24.95302 18.58091       42.32693 
1 1 1 25  35 2  o 69.38526 26.95139 154.6968       157.1095 115.2818       354.3430 164.3414       175.2803 77.60019 35.34801 71.41800 28.24963 6.182190       45.24957 
1 1 1 25  35 3  o 162.9079 16.86415 856.2731       158.7955 635.8585       364.0042 908.0797       176.4733 111.1467 41.53057 166.4129 18.38812 -55.26622      45.41928 
1 1 1 25  35 4  f 57.09492 24.33807 52.90818       143.4223 627.5975       368.1488 -49.91853      155.7255 110.1007 41.63197 50.36173 23.12543 59.73897       47.62359 
1 1 1 25  35 5  o 70.01709 25.21185 167.8904       132.1969 131.0422       361.9425 173.5627       142.0079 78.65210 35.78749 71.10521 26.05339 7.546890       44.26651 
1 1 1 25  35 6  o 48.03794 22.02289 -48.22564      140.4601 -11.07055      355.8619 -55.08227      152.8720 72.09952 33.73668 49.57130 22.81728 22.52822       40.72827 
1 1 1 25  35 7  o 78.83882 27.27839 228.7735       153.5517 -125.8082      386.2257 295.3412       167.3457 69.83208 33.39162 87.74398 28.45366 -17.91190      43.87039 
1 1 1 25  35 8  o 142.2491 19.38639 672.9812       157.5279 694.6891       393.5760 668.8403       171.8973 113.5891 43.02422 139.8548 21.65706 -26.26570      48.16754 
1 1 1 25  35 9  o 77.41792 27.06499 218.3369       151.3568 555.3253       397.3783 161.1519       163.6960 103.2906 41.95321 70.47887 27.47256 32.81175       50.14791 
1 1 1 25  35 10 o 55.73480 24.11340 37.07323       144.7664 301.3739       424.9446 2.372011       153.9769 88.47810 39.64972 53.98472 24.05188 34.49339       46.37449 
1 1 1 25  35 11 o 80.72786 28.41663 245.3446       167.0419 366.7621       403.0512 220.1645       183.5474 91.19199 39.83448 77.67173 29.39013 13.52026       49.50319 
1 1 1 25  36 0  o 65.43761 26.31873 124.6558       154.6780 867.2616       301.5775 -140.4306      180.1828 140.9089 36.27750 48.53966 23.09775 92.36925       43.00655 
1 1 1 25  36 1  o 74.89823 27.50775 201.9525       158.4517 -272.4879      318.3235 358.2275       182.6934 59.32877 28.84264 94.99669 29.60729 -35.66792      41.33388 
1 1 1 25  36 2  f 53.24739 23.86917 -5.180517      154.1322 -561.7861      323.9335 157.7136       175.2406 52.26816 26.07619 70.37395 28.11255 -18.10580      38.34428 
1 1 1 25  36 3  o 53.80655 25.83271 -190.0276      236.3568 21.89650       336.4490 -396.5223      332.1112 71.84825 33.34440 57.10152 28.11084 14.74673       43.61271 
1 1 1 25  36 4  o 66.07211 25.69584 136.0254       142.9481 -76.59199      330.6276 184.9074       158.5311 67.35953 31.82790 72.83969 27.36811 -5.480164      41.97652 
1 1 1 25  36 5  o 114.5032 24.56565 472.2975       160.0238 716.3634       375.5876 418.1660       176.8817 115.8833 42.38493 104.2211 28.24129 11.66215       50.93184 
1 1 1 25  36 6  f 54.63554 24.77402 -18.59754      171.6116 523.5209       372.9057 -164.2591      193.2967 100.9738 40.77519 49.31850 23.59347 51.65527       47.10910 
1 1 1 25  36 7  o 80.94505 29.51225 250.3694       181.8796 27.15271       372.8230 320.0849       208.3552 73.94171 34.57675 88.61645 31.68268 -14.67474      46.89717 
1 1 1 25  36 8  o 71.14228 28.49323 164.2573       180.4949 -20.47541      389.7686 214.6867       203.6464 72.89977 34.47916 77.10822 30.46569 -4.208450      46.01054 
1 1 1 25  37 0  o 44.60439 21.44016 -164.6001      163.9172 -297.7227      262.2395 -79.23524      209.9965 52.42823 25.63880 55.36425 25.90920 -2.936016      36.45044 
1 1 1 26  0  0  o 97.24892 52.39045 426.0596       413.9866 426.0596       413.9866 426.0596       413.9866 97.24892 52.39045 97.24892 52.39045 0.000000       0.000000 
1 1 1 26  0  1  o 212.1657 38.64878 1479.784       433.6896 1479.784       433.6896 1479.784       433.6896 212.1657 38.64878 212.1657 38.64878 0.000000       0.000000 
1 1 1 26  0  2  o 65.25322 43.09196 -64.66250      426.4400 -64.66250      426.4400 -64.66250      426.4400 65.25322 43.09196 65.25322 43.09196 0.000000       0.000000 
1 1 1 26  0  3  o 418.5629 24.63528 5258.048       599.9010 5258.048       599.9010 5258.048       599.9010 418.5629 24.63528 418.5629 24.63528 0.000000       0.000000 
1 1 1 26  0  4  f 287.5699 30.45068 2551.929       499.1024 2551.929       499.1024 2551.929       499.1024 287.5699 30.45068 287.5699 30.45068 0.000000       0.000000 
1 1 1 26  0  5  f 253.2676 40.27687 2074.741       552.9962 2074.741       552.9962 2074.741       552.9962 253.2676 40.27687 253.2676 40.27687 0.000000       0.000000 
1 1 1 26  0  6  o 245.6891 41.31853 1968.619       544.8035 1968.619       544.8035 1968.619       544.8035 245.6891 41.31853 245.6891 41.31853 0.000000       0.000000 
1 1 1 26  0  7  o 276.6771 39.07457 2442.232       597.6645 2442.232       597.6645 2442.232       597.6645 276.6771 39.07457 276.6771 39.07457 0.000000       0.000000 
1 1 1 26  0  8  o 98.39791 57.70901 387.2379       560.2308 387.2379       560.2308 387.2379       560.2308 98.39791 57.70901 98.39791 57.70901 0.000000       0.000000 
1 1 1 26  0  9  o 226.8920 48.65371 1763.997       568.4489 1763.997       568.4489 1763.997       568.4489 226.8920 48.65371 226.8920 48.65371 0.000000       0.000000 
1 1 1 26  0  10 o 403.3318 27.97293 4923.406       654.2484 4923.406       654.2484 4923.406       654.2484 403.3318 27.97293 403.3318 27.97293 0.000000       0.000000 
1 1 1 26  0  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  0  13 o 317.8843 33.75100 3145.043       611.4009 3145.043       611.4009 3145.043       611.4009 317.8843 33.75100 317.8843 33.75100 0.000000       0.000000 
1 1 1 26  0  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  0  15 o 254.9319 38.12973 2100.588       532.5308 2100.588       532.5308 2100.588       532.5308 254.9319 38.12973 254.9319 38.12973 0.000000       0.000000 
1 1 1 26  0  16 o 338.4055 29.24150 3518.449       569.9660 3518.449       569.9660 3518.449       569.9660 338.4055 29.24150 338.4055 29.24150 0.000000       0.000000 
1 1 1 26  0  17 o 70.86994 46.46503 -14.00822      482.2596 -14.00822      482.2596 -14.00822      482.2596 70.86994 46.46503 70.86994 46.46503 0.000000       0.000000 
1 1 1 26  0  18 o 312.2005 28.21756 3001.443       506.4686 3001.443       506.4686 3001.443       506.4686 312.2005 28.21756 312.2005 28.21756 0.000000       0.000000 
1 1 1 26  0  19 o 57.73763 39.81374 -286.1620      449.3386 -286.1620      449.3386 -286.1620      449.3386 57.73763 39.81374 57.73763 39.81374 0.000000       0.000000 
1 1 1 26  0  20 o 215.8313 36.29308 1533.209       420.3939 1533.209       420.3939 1533.209       420.3939 215.8313 36.29308 215.8313 36.29308 0.000000       0.000000 
1 1 1 26  0  21 o 101.1821 52.85228 494.5091       410.6305 494.5091       410.6305 494.5091       410.6305 101.1821 52.85228 101.1821 52.85228 0.000000       0.000000 
1 1 1 26  0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  0  23 o 73.42319 44.25816 205.3482       346.7060 205.3482       346.7060 205.3482       346.7060 73.42319 44.25816 73.42319 44.25816 0.000000       0.000000 
1 1 1 26  0  24 o 59.02136 38.63935 5.223267       331.6655 5.223267       331.6655 5.223267       331.6655 59.02136 38.63935 59.02136 38.63935 0.000000       0.000000 
1 1 1 26  0  25 o 66.36188 41.06466 145.2697       316.3958 145.2697       316.3958 145.2697       316.3958 66.36188 41.06466 66.36188 41.06466 0.000000       0.000000 
1 1 1 26  0  26 o 48.54135 33.22195 -143.2075      299.5917 -143.2075      299.5917 -143.2075      299.5917 48.54135 33.22195 48.54135 33.22195 0.000000       0.000000 
1 1 1 26  0  27 o 77.45203 44.56096 287.2201       324.0047 287.2201       324.0047 287.2201       324.0047 77.45203 44.56096 77.45203 44.56096 0.000000       0.000000 
1 1 1 26  0  28 o 48.92324 33.18856 -97.64532      285.3091 -97.64532      285.3091 -97.64532      285.3091 48.92324 33.18856 48.92324 33.18856 0.000000       0.000000 
1 1 1 26  0  29 o 263.3446 21.67887 2155.361       329.4210 2155.361       329.4210 2155.361       329.4210 263.3446 21.67887 263.3446 21.67887 0.000000       0.000000 
1 1 1 26  0  30 f 67.36793 40.10747 203.6508       277.9212 203.6508       277.9212 203.6508       277.9212 67.36793 40.10747 67.36793 40.10747 0.000000       0.000000 
1 1 1 26  0  31 o 123.2465 43.58857 655.1099       286.3499 655.1099       286.3499 655.1099       286.3499 123.2465 43.58857 123.2465 43.58857 0.000000       0.000000 
1 1 1 26  0  32 o 52.51466 34.78572 -2.919383      281.3135 -2.919383      281.3135 -2.919383      281.3135 52.51466 34.78572 52.51466 34.78572 0.000000       0.000000 
1 1 1 26  0  33 o 71.07483 41.61811 253.2290       290.5903 253.2290       290.5903 253.2290       290.5903 71.07483 41.61811 71.07483 41.61811 0.000000       0.000000 
1 1 1 26  0  34 o 51.45597 34.90844 -69.08061      315.7243 -69.08061      315.7243 -69.08061      315.7243 51.45597 34.90844 51.45597 34.90844 0.000000       0.000000 
1 1 1 26  0  35 o 75.48261 44.07361 306.2704       324.3590 306.2704       324.3590 306.2704       324.3590 75.48261 44.07361 75.48261 44.07361 0.000000       0.000000 
1 1 1 26  0  36 o 43.42313 30.62318 -265.1135      310.5585 -265.1135      310.5585 -265.1135      310.5585 43.42313 30.62318 43.42313 30.62318 0.000000       0.000000 
1 1 1 26  0  37 o 78.78291 45.34039 352.2756       335.5896 352.2756       335.5896 352.2756       335.5896 78.78291 45.34039 78.78291 45.34039 0.000000       0.000000 
1 1 1 26  1  0  o 207.0644 25.05390 1309.589       298.0706 1449.137       430.0508 1180.572       413.5068 213.9715 35.51450 191.6464 38.13203 22.32506       52.10884 
1 1 1 26  1  1  o 58.72922 28.37571 -446.3412      296.0857 -440.1168      417.6817 -452.6283      419.7829 75.14926 35.58737 74.97431 35.55502 0.1749496      50.30527 
1 1 1 26  1  2  o 107.4796 38.61212 319.3030       309.8638 406.0988       428.9052 224.5412       448.1555 122.1122 45.18546 110.6122 44.68855 11.50006       63.55149 
1 1 1 26  1  3  o 106.0533 39.12334 295.1648       321.1125 492.4638       438.2429 66.43415       471.8616 129.4227 45.98382 103.3669 44.10648 26.05581       63.71729 
1 1 1 26  1  4  o 111.5377 40.35988 342.5438       339.2843 325.4984       473.0300 360.6043       486.9120 119.1528 46.62677 122.4230 47.47603 -3.270195      66.54344 
1 1 1 26  1  5  o 211.4295 29.35620 1382.558       354.2053 1695.476       515.9312 1103.578       487.1508 230.0772 39.66779 182.5309 45.63313 47.54628       60.46417 
1 1 1 26  1  6  o 338.1858 21.12938 3431.636       416.9819 3540.964       562.0078 3297.748       621.9389 340.4900 28.40257 326.2797 32.95289 14.21027       43.50401 
1 1 1 26  1  7  o 138.9322 42.70643 619.4296       381.6315 721.3197       531.4016 510.9097       548.4175 150.4124 50.77864 135.8812 50.93481 14.53123       71.92236 
1 1 1 26  1  8  o 177.1787 38.70201 1014.421       390.8756 1062.621       558.8451 968.2574       546.9113 177.5307 50.98983 169.9958 50.89290 7.534866       72.04200 
1 1 1 26  1  9  o 136.0235 42.92648 590.2022       382.8411 364.3476       517.9280 862.2463       568.4268 124.4096 48.75825 161.5335 52.44513 -37.12388      71.60907 
1 1 1 26  1  10 o 95.93077 40.13361 97.40868       378.2555 624.5229       519.3843 -497.9207      551.9695 142.3312 50.10714 87.93346 41.41924 54.39777       65.00983 
1 1 1 26  1  11 o 280.6855 25.29562 2398.957       411.9417 2674.725       568.3804 2093.814       597.8860 292.4619 33.75618 254.3556 41.51023 38.10625       53.50307 
1 1 1 26  1  12 o 420.9144 19.89886 5309.627       489.8251 5193.890       698.2974 5421.738       687.2690 411.2805 29.13888 420.9633 27.99671 -9.682861      40.40904 
1 1 1 26  1  13 o 568.3032 18.98968 9658.836       632.0303 10075.39       896.2292 9246.720       891.4418 575.0678 26.64598 550.0134 27.72503 25.05438       38.45368 
1 1 1 26  1  14 o 484.0149 28.40176 7196.063       802.6786 7196.063       802.6786 0.000000       0.000000 484.0149 28.40176 ?        ?        0.000000       28.40176 
1 1 1 26  1  15 o 412.7215 15.40666 5071.712       372.2658 5212.959       468.5729 4829.991       612.9779 416.6935 19.22569 396.9392 26.48266 19.75433       32.72550 
1 1 1 26  1  16 o 228.9284 29.14032 1638.961       382.3862 2238.842       553.2792 1090.401       529.0833 263.5983 36.78999 176.7664 49.22358 86.83183       61.45294 
1 1 1 26  1  17 o 98.23222 39.47905 193.1894       347.7647 -293.6516      455.8881 870.7839       537.8358 83.59980 38.80377 158.1347 50.98757 -74.53489      64.07390 
1 1 1 26  1  18 o 182.0826 33.39699 1071.012       343.4983 1745.440       490.1298 420.0059       481.5439 231.1468 37.43457 122.9082 47.33414 108.2386       60.34789 
1 1 1 26  1  19 o 203.8615 34.84701 1350.027       401.6737 1350.027       401.6737 0.000000       0.000000 203.8615 34.84701 ?        ?        0.000000       34.84701 
1 1 1 26  1  20 o 66.53981 30.70623 -178.0147      279.3849 -378.6030      368.5984 92.82802       428.3111 69.90206 33.19807 97.93935 41.91210 -28.03728      53.46715 
1 1 1 26  1  21 o 98.60861 37.21011 264.3254       293.7516 293.5312       373.5864 217.0221       475.4473 106.2483 41.47758 107.9949 45.07439 -1.746597      61.25430 
1 1 1 26  1  22 o 77.48787 36.15845 -268.1817      404.2018 0.000000       0.000000 -268.1817      404.2018 ?        ?        77.48787 36.15845 0.000000       36.15845 
1 1 1 26  1  23 o 263.7788 16.96703 2108.663       261.0880 2171.749       365.1651 2042.685       373.4423 263.6199 23.87763 254.6348 25.34272 8.985138       34.81946 
1 1 1 26  1  24 o 82.55859 32.94681 154.5062       240.4486 617.6263       329.5594 -372.6355      351.6013 131.3900 39.54538 66.45333 31.79862 64.93662       50.74435 
1 1 1 26  1  25 o 83.40352 32.82084 175.1790       235.5023 334.3334       342.4480 32.37030       324.3865 103.6611 39.91795 81.16501 35.58822 22.49605       53.47864 
1 1 1 26  1  26 o 106.4139 32.75932 391.8196       224.4553 1101.762       345.1080 -128.6600      295.4917 177.7529 34.34768 68.79381 31.68611 108.9591       46.73086 
1 1 1 26  1  27 o 73.77298 30.60058 96.98058       217.1843 178.6837       337.7227 39.36366       283.6063 90.30376 37.86063 76.50169 33.41611 13.80206       50.49816 
1 1 1 26  1  28 o 75.94386 30.50103 135.0886       207.4305 225.8662       305.8595 57.77810       282.2616 91.07717 36.87435 77.15525 33.52409 13.92192       49.83555 
1 1 1 26  1  29 f 50.96684 24.39462 -229.1138      207.2268 -391.1054      301.5195 -84.10156      285.2802 57.99202 28.16474 68.63492 31.43575 -10.64290      42.20733 
1 1 1 26  1  30 o 74.04712 29.97042 130.8342       201.9813 56.13742       292.9311 198.5352       278.8764 76.75299 33.73100 85.65948 35.01242 -8.906494      48.61738 
1 1 1 26  1  31 o 50.86481 24.24062 -197.9364      199.9837 -91.65153      289.7522 -294.6248      276.3620 67.89208 31.30895 57.59497 27.72394 10.29712       41.81946 
1 1 1 26  1  32 o 107.6261 30.68453 421.9013       203.1043 184.1414       297.1146 630.4665       278.2759 84.54558 35.48323 127.6797 35.75130 -43.13416      50.37078 
1 1 1 26  1  33 o 68.80965 29.16065 82.74908       203.8293 94.75927       293.5505 71.56757       283.2423 77.60844 33.94606 75.33137 33.13519 2.277069       47.43707 
1 1 1 26  1  34 o 67.04158 29.09086 54.68367       211.9614 -93.06597      306.1170 190.7649       293.7808 68.12608 31.68134 83.42890 35.16482 -15.30282      47.33151 
1 1 1 26  1  35 o 65.77296 29.00994 30.36715       218.4940 -35.78165      301.1866 103.8521       317.4489 70.14391 32.19130 78.95515 34.88947 -8.811241      47.47163 
1 1 1 26  1  36 o 59.46684 27.70990 -102.4245      236.0356 123.0780       328.7189 -342.4433      339.1342 80.06667 35.43617 61.41543 29.83719 18.65123       46.32472 
1 1 1 26  1  37 o 100.7391 37.01677 417.8319       286.9930 378.3971       373.1504 474.9390       449.0446 97.11001 40.18000 103.1980 43.48506 -6.087997      59.20627 
1 1 1 26  2  0  o 286.4500 19.44184 2457.438       324.6801 2542.601       444.2819 2359.823       475.6560 288.8520 26.52183 276.8474 29.76244 12.00467       39.86490 
1 1 1 26  2  1  o 275.5938 19.59485 2276.017       314.6444 2614.954       443.5624 1932.730       446.4000 293.1726 26.06926 249.7245 31.15567 43.44815       40.62366 
1 1 1 26  2  2  o 68.17286 31.58175 -226.6953      299.7714 -187.8369      422.9215 -265.9305      424.9673 85.70738 38.87444 82.59776 38.02785 3.109627       54.38142 
1 1 1 26  2  3  o 95.66106 38.23752 167.4334       324.4014 438.8564       436.6958 -166.7722      484.5767 125.1082 45.71189 93.34097 42.04199 31.76723       62.10560 
1 1 1 26  2  4  o 231.3055 26.57290 1636.307       353.9354 1888.769       485.8770 1350.889       516.6167 245.3751 34.73313 202.6191 44.67817 42.75597       56.59089 
1 1 1 26  2  5  o 541.9825 18.14476 8746.674       575.9360 9003.813       812.6241 8487.151       816.3820 545.9210 25.45109 529.4194 26.37624 16.50159       36.65329 
1 1 1 26  2  6  o 329.4484 22.22705 3265.305       426.9434 2949.331       570.2750 3668.264       644.0039 308.8903 31.93983 344.6305 32.23692 -35.74020      45.38030 
1 1 1 26  2  7  o 100.3642 40.35179 180.8341       363.4632 355.3890       478.1223 -58.13726      559.4303 121.4528 47.06044 105.2658 46.42446 16.18702       66.10533 
1 1 1 26  2  8  o 107.4549 40.59813 287.4456       349.9252 157.3909       461.8551 462.7094       536.1530 107.5654 44.62130 131.9678 50.16255 -24.40243      67.13673 
1 1 1 26  2  9  f 71.32246 33.76061 -397.3038      375.1314 -168.3933      502.9418 -684.3396      563.1873 95.00696 42.80839 83.72849 40.11308 11.27847       58.66529 
1 1 1 26  2  10 o 340.0825 21.40327 3476.797       424.7241 3947.467       589.5267 2968.847       612.4288 359.3023 28.20235 308.1526 34.47777 51.14963       44.54311 
1 1 1 26  2  11 o 495.3524 18.90414 7330.546       548.1809 8355.257       800.0323 6423.674       752.6273 524.5836 26.08596 458.5291 28.12268 66.05450       38.35835 
1 1 1 26  2  12 f 546.0142 27.04335 9084.985       863.2993 0.000000       0.000000 9084.985       863.2993 ?        ?        546.0142 27.04335 0.000000       27.04335 
1 1 1 26  2  13 o 656.7579 27.49584 13170.09       1056.723 13170.09       1056.723 0.000000       0.000000 656.7579 27.49584 ?        ?        0.000000       27.49584 
1 1 1 26  2  14 f 197.7277 49.01085 1343.599       565.4689 1343.599       565.4689 0.000000       0.000000 197.7277 49.01085 ?        ?        0.000000       49.01085 
1 1 1 26  2  15 o 400.1386 31.46042 4995.938       732.3536 4995.938       732.3536 0.000000       0.000000 400.1386 31.46042 ?        ?        0.000000       31.46042 
1 1 1 26  2  16 o 92.26102 40.37467 -9.651233      415.7047 -9.651233      415.7047 0.000000       0.000000 92.26102 40.37467 ?        ?        0.000000       40.37467 
1 1 1 26  2  17 o 249.6417 25.31614 1920.598       365.5316 2296.248       497.4355 1479.656       538.9343 269.4112 32.11409 207.9779 45.45639 61.43329       55.65607 
1 1 1 26  2  18 f 328.2964 18.95616 3247.480       363.4262 3235.951       471.7899 3264.304       569.9327 324.5518 24.97846 322.4530 30.49993 2.098755       39.42295 
1 1 1 26  2  19 o 69.60085 31.80845 -150.1518      289.9793 -252.5938      368.7284 15.91135       469.4663 75.01015 34.84453 97.91493 42.87604 -22.90479      55.24939 
1 1 1 26  2  20 o 104.6363 36.90319 330.2656       281.8145 -55.83805      356.6766 971.7904       459.7581 82.63824 36.72489 166.2117 45.73363 -83.57346      58.65393 
1 1 1 26  2  21 o 187.7634 25.65392 1106.370       275.1179 812.3104       370.7495 1466.724       410.4185 153.4842 40.57705 211.7197 34.22007 -58.23558      53.08022 
1 1 1 26  2  22 o 193.2640 25.06931 1173.318       277.4585 1075.841       367.9729 1301.766       422.4060 178.7294 36.34435 195.8378 38.14965 -17.10840      52.69068 
1 1 1 26  2  23 o 181.0080 36.56991 1120.298       374.8380 0.000000       0.000000 1120.298       374.8380 ?        ?        181.0080 36.56991 0.000000       36.56991 
1 1 1 26  2  24 o 221.7739 19.49827 1516.589       251.0254 1423.379       349.1236 1616.355       361.1909 208.6031 29.34723 223.3048 28.20785 -14.70168      40.70557 
1 1 1 26  2  25 o 132.3033 31.64117 599.7715       242.1970 700.2465       334.7596 489.4104       350.8427 138.3353 39.37851 117.1420 41.18706 21.19330       56.98281 
1 1 1 26  2  26 o 60.07932 27.38634 -86.00356      213.1753 -240.7824      301.6927 68.33021       301.2585 64.46693 30.44367 80.55550 34.81849 -16.08858      46.25089 
1 1 1 26  2  27 o 138.1669 28.26627 643.9410       221.3181 1457.211       339.9372 45.59353       291.5802 209.2218 28.43950 77.67377 33.90624 131.5481       44.25425 
1 1 1 26  2  28 o 84.62803 31.78355 216.1802       213.7609 261.8946       315.8303 177.5370       290.3783 94.37706 37.72741 86.29855 35.54975 8.078514       51.83765 
1 1 1 26  2  29 o 114.1633 31.55321 464.9967       218.3003 693.1287       320.5128 267.5941       298.1458 134.1875 38.63856 93.08125 36.83562 41.10629       53.38353 
1 1 1 26  2  30 o 80.18430 30.88441 189.9360       205.0243 112.4224       295.7953 261.6098       284.4347 80.57553 34.66153 91.09798 36.00133 -10.52245      49.97517 
1 1 1 26  2  31 f 206.6794 18.04150 1341.962       216.4957 1080.645       310.5191 1589.139       302.0009 174.0990 31.57416 219.8412 23.80257 -45.74223      39.54099 
1 1 1 26  2  32 o 72.74107 29.72612 125.6972       200.9720 -111.3607      288.1806 350.1481       280.4131 66.31794 30.80595 97.58611 36.45382 -31.26817      47.72722 
1 1 1 26  2  33 o 51.66775 24.58229 -184.6792      203.9221 -472.1426      296.6191 72.95622       280.8087 53.79472 26.49906 75.19328 33.03627 -21.39856      42.35086 
1 1 1 26  2  34 o 50.53736 24.11685 -189.5434      199.3283 -219.2718      282.3190 -159.9939      281.4685 60.21248 28.72495 62.57225 29.50527 -2.359776      41.17868 
1 1 1 26  2  35 o 55.42836 26.12759 -148.3398      220.3675 -337.6099      307.0706 52.64871       316.4337 58.58488 28.44576 75.97131 34.11652 -17.38643      44.41956 
1 1 1 26  2  36 o 86.32290 34.71215 255.9456       269.0136 436.8380       345.0509 -24.42186      429.5730 101.6410 39.80850 79.43046 37.13419 22.21054       54.43955 
1 1 1 26  2  37 o 80.85778 34.48816 176.0266       288.2989 127.3208       338.4796 304.7375       550.2373 80.65112 35.81255 96.25539 43.92357 -15.60428      56.67292 
1 1 1 26  3  0  o 325.0748 27.13999 3220.626       512.7032 0.000000       0.000000 3220.626       512.7032 ?        ?        325.0748 27.13999 0.000000       27.13999 
1 1 1 26  3  1  f 53.24770 26.33680 -664.9271      303.5627 -955.7513      398.4616 -262.6599      468.6282 58.88511 29.30361 87.62318 40.19141 -28.73806      49.73983 
1 1 1 26  3  2  o 68.04929 31.38864 -204.2642      291.4679 51.93924       385.2899 -547.0546      445.6660 93.99843 39.97374 75.00127 35.86495 18.99716       53.70470 
1 1 1 26  3  3  o 136.5117 38.78562 599.4636       325.0630 602.8380       422.1907 594.5510       509.4137 138.1703 45.22131 140.1717 49.59928 -2.001328      67.11971 
1 1 1 26  3  4  o 397.9970 18.26013 4722.143       425.0847 4954.337       577.5873 4447.753       627.8778 405.1063 24.42418 381.9210 28.23138 23.18524       37.33030 
1 1 1 26  3  5  o 254.9698 25.54512 1978.488       376.8466 1685.653       480.8336 2444.771       606.7465 230.6810 36.77501 277.8986 38.24090 -47.21754      53.05439 
1 1 1 26  3  6  o 168.2974 38.68425 916.5313       373.8165 758.4531       484.8220 1148.289       587.0342 152.5977 48.32581 184.0667 52.06263 -31.46892      71.03451 
1 1 1 26  3  7  o 64.82150 31.34844 -546.8172      363.4700 -351.4881      476.7781 -817.8586      561.6304 85.12490 39.57010 80.20608 38.83172 4.918823       55.44092 
1 1 1 26  3  8  o 331.9084 21.15867 3307.795       409.7227 2920.795       532.8066 3867.804       640.9316 308.2339 29.84702 354.3534 31.15766 -46.11948      43.14678 
1 1 1 26  3  9  o 342.2076 20.34951 3510.807       406.5635 3296.920       526.7835 3825.888       639.3677 328.5847 27.59054 352.1902 31.27946 -23.60550      41.70902 
1 1 1 26  3  10 o 361.3053 20.70602 3917.362       436.9172 3688.272       596.5554 4182.437       641.7000 346.4319 29.64648 368.8955 29.91701 -22.46356      42.11818 
1 1 1 26  3  11 o 788.2506 20.91542 18624.83       966.0453 19704.01       1399.909 17643.69       1334.804 801.8646 29.81984 758.4598 30.06740 43.40479       42.34704 
1 1 1 26  3  12 o 502.1879 18.63993 7536.025       548.0330 8452.270       776.4100 6626.239       773.6687 527.8906 25.15055 465.0596 28.50277 62.83105       38.01261 
1 1 1 26  3  13 o 364.9916 29.85169 4114.302       633.4250 4114.302       633.4250 0.000000       0.000000 364.9916 29.85169 ?        ?        0.000000       29.85169 
1 1 1 26  3  14 o 228.8958 30.82505 1642.453       403.2928 1642.453       403.2928 0.000000       0.000000 228.8958 30.82505 ?        ?        0.000000       30.82505 
1 1 1 26  3  15 o 98.39578 41.26624 118.9790       401.4056 118.9790       401.4056 0.000000       0.000000 98.39578 41.26624 ?        ?        0.000000       41.26624 
1 1 1 26  3  16 o 204.6422 48.83584 1456.731       577.9346 1456.731       577.9346 0.000000       0.000000 204.6422 48.83584 ?        ?        0.000000       48.83584 
1 1 1 26  3  17 o 219.8130 24.79043 1490.166       314.0181 1512.831       390.0352 1448.407       529.4200 218.4165 31.34569 205.8415 45.10373 12.57507       54.92630 
1 1 1 26  3  18 f 305.3692 19.53388 2816.220       348.0013 2677.775       447.2850 3028.563       553.9424 294.3740 26.18087 310.2090 30.85678 -15.83508      40.46701 
1 1 1 26  3  19 o 211.1468 25.68963 1385.802       311.5822 1204.654       407.1600 1641.807       484.0306 190.6685 37.74747 222.9414 38.40549 -32.27290      53.85028 
1 1 1 26  3  20 o 163.0101 29.13980 850.1072       268.3552 1102.563       378.9774 596.2231       380.0479 182.1754 36.74036 132.8647 42.86249 49.31071       56.45394 
1 1 1 26  3  21 o 129.8801 34.95461 564.1782       272.0854 407.7473       367.6815 753.5309       404.5257 114.9649 41.95407 146.6064 43.74091 -31.64146      60.60867 
1 1 1 26  3  22 o 52.19757 25.47309 -426.8826      254.9819 -662.3289      340.9817 -128.2111      384.0449 57.24094 28.23757 81.08541 36.88271 -23.84447      46.45099 
1 1 1 26  3  23 o 60.53492 28.23977 -183.9124      246.2708 -42.05984      319.4208 -391.8192      386.7043 77.61565 34.60710 70.28829 33.55568 7.327362       48.20410 
1 1 1 26  3  24 o 196.6556 22.03817 1211.879       249.8076 1175.123       336.9337 1256.748       372.2654 187.4892 31.77562 192.1537 34.29153 -4.664474      46.75039 
1 1 1 26  3  25 o 72.55635 30.86138 57.02067       229.7296 214.8750       298.9949 -170.4602      358.9285 91.49036 36.66242 74.40929 34.50098 17.08107       50.34333 
1 1 1 26  3  26 o 88.78012 31.60138 249.5693       207.0621 295.5284       281.0148 194.9771       306.2729 96.79602 36.42314 89.78992 36.69527 7.006104       51.70288 
1 1 1 26  3  27 o 92.40747 31.03238 285.1325       198.4768 627.4991       275.3455 -85.16080      286.3553 131.9327 35.01027 69.48609 31.69985 62.44662       47.22923 
1 1 1 26  3  28 o 194.5058 19.35015 1186.383       217.8085 1471.423       303.2960 882.8350       312.9883 212.6011 24.78945 156.4733 34.98579 56.12784       42.87799 
1 1 1 26  3  29 o 58.37172 27.01157 -114.3923      218.3934 -314.9284      308.9251 85.96158       308.7848 61.41853 29.49925 80.57210 35.03570 -19.15357      45.80072 
1 1 1 26  3  30 o 151.0887 25.20080 763.1769       215.4435 881.6976       303.4818 642.7609       305.8986 154.9095 34.30955 128.4279 37.96729 26.48166       51.17285 
1 1 1 26  3  31 o 60.82957 27.29396 -28.01638      202.0612 -33.61663      292.7351 -22.91996      279.2565 71.10098 32.28611 70.30734 31.76862 0.7936325      45.29501 
1 1 1 26  3  32 o 135.4277 25.99020 628.1505       198.9225 531.0416       288.8216 715.7860       274.3722 115.5976 37.37202 137.7550 34.13615 -22.15739      50.61566 
1 1 1 26  3  33 o 87.16939 31.20652 266.5370       202.2090 213.7693       294.4180 313.6527       278.2038 85.72842 35.60004 93.33042 35.96893 -7.601997      50.60758 
1 1 1 26  3  34 o 71.55946 29.92718 112.9167       210.2193 345.0284       299.0424 -113.8476      295.5777 95.61464 37.17102 66.10064 30.86975 29.51400       48.31797 
1 1 1 26  3  35 o 81.85487 31.78087 220.8766       218.3852 323.1169       315.3606 126.6719       302.7141 93.53249 37.59322 79.23772 34.56898 14.29477       51.07117 
1 1 1 26  3  36 o 67.88596 30.13831 36.00200       239.5988 -228.7063      343.7941 285.9948       334.1015 65.54795 31.38638 90.43829 37.76863 -24.89034      49.10778 
1 1 1 26  3  37 o 112.5637 37.13476 534.3967       284.4738 568.6580       357.7827 475.5093       469.0609 111.6225 41.27562 103.0452 43.97250 8.577255       60.30968 
1 1 1 26  4  0  o 242.7023 22.99222 1782.684       323.3669 1831.172       417.3085 1709.815       511.5756 243.4987 29.84533 231.1319 39.13488 12.36684       49.21669 
1 1 1 26  4  1  o 53.54083 26.39866 -617.3869      296.7062 -188.9839      370.1293 -1387.677      496.3116 79.35271 36.13876 61.98414 31.11916 17.36857       47.69080 
1 1 1 26  4  2  o 350.6632 18.06553 3667.075       370.2755 3539.282       493.4410 3831.777       560.1832 341.9813 24.77057 354.8227 27.12520 -12.84146      36.73360 
1 1 1 26  4  3  o 279.4425 33.55108 2431.792       538.8735 0.000000       0.000000 2431.792       538.8735 ?        ?        279.4425 33.55108 0.000000       33.55108 
1 1 1 26  4  4  o 264.5494 23.49779 2117.197       360.7840 1950.456       453.5019 2404.669       595.4648 250.7897 31.52831 275.7758 37.81162 -24.98607      49.23162 
1 1 1 26  4  5  o 419.0323 18.23607 5233.808       447.0830 5213.050       579.8380 5264.242       702.1031 415.8063 23.87784 415.1618 29.01858 0.6444702      37.57964 
1 1 1 26  4  6  o 96.77917 39.16568 155.9975       344.8798 341.9787       428.5587 -185.7955      580.9748 117.2451 44.77997 101.8939 45.95177 15.35116       64.16238 
1 1 1 26  4  7  o 151.7745 39.09299 747.7067       350.0941 942.9390       445.1084 431.0016       566.9144 168.9581 44.36211 131.5858 51.17271 37.37234       67.72476 
1 1 1 26  4  8  o 178.2321 36.32861 1017.702       366.8421 701.2830       477.7544 1472.264       572.6238 147.5128 48.09407 210.0293 47.59278 -62.51646      67.66175 
1 1 1 26  4  9  o 341.8945 20.74081 3508.178       413.9240 2821.946       518.3334 4716.095       687.6891 302.8731 29.55651 391.8319 30.15738 -88.95877      42.22623 
1 1 1 26  4  10 o 451.1433 17.93708 6069.507       473.6421 5980.487       629.3966 6185.746       719.2155 444.7838 24.21958 450.5340 27.34836 -5.750214      36.53109 
1 1 1 26  4  11 o 188.7519 37.54441 1150.182       400.9800 1452.170       530.6120 748.1172       612.2529 209.1916 44.61200 153.0695 54.35510 56.12210       70.31862 
1 1 1 26  4  12 o 377.7896 27.24684 4365.455       599.6382 4365.455       599.6382 0.000000       0.000000 377.7896 27.24684 ?        ?        0.000000       27.24684 
1 1 1 26  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  4  14 o 338.1476 30.45836 3555.799       597.5697 3555.799       597.5697 0.000000       0.000000 338.1476 30.45836 ?        ?        0.000000       30.45836 
1 1 1 26  4  15 o 341.2012 21.84622 3526.160       434.8602 3526.160       434.8602 0.000000       0.000000 341.2012 21.84622 ?        ?        0.000000       21.84622 
1 1 1 26  4  16 o 116.3431 39.38356 422.4023       319.6682 429.1279       392.7526 409.2022       550.2221 119.8855 43.41777 126.2551 50.01622 -6.369598      66.23235 
1 1 1 26  4  17 o 113.3716 38.64470 399.0995       307.8434 333.1396       377.8108 529.3978       531.0111 111.0269 42.13068 132.6370 50.03387 -21.61007      65.40934 
1 1 1 26  4  18 o 174.1202 27.90691 956.0378       275.3555 677.4702       340.3358 1483.965       468.5212 142.0925 39.44554 211.5681 39.20301 -69.47562      55.61319 
1 1 1 26  4  19 o 65.53574 30.47209 -211.2366      283.0269 -284.4364      373.0773 -111.9919      434.4077 74.15347 34.64723 88.37046 39.80444 -14.21699      52.77143 
1 1 1 26  4  20 o 227.6164 22.02106 1589.741       290.2955 1740.317       398.3365 1419.187       423.9383 234.2137 29.66360 207.4848 36.15229 26.72890       46.76448 
1 1 1 26  4  21 o 77.26488 33.39928 17.31830       277.2515 116.5226       389.2739 -84.81245      394.9738 95.11400 40.30301 84.72480 38.07611 10.38920       55.44478 
1 1 1 26  4  22 o 197.5546 23.48254 1218.154       266.7539 1412.334       370.8752 1010.032       383.9589 208.3252 31.32407 170.8889 39.15251 37.43626       50.14097 
1 1 1 26  4  23 o 192.3966 23.03820 1161.109       254.7916 1102.881       341.8506 1233.882       382.1709 181.3149 33.37739 190.4990 35.51310 -9.184097      48.73634 
1 1 1 26  4  24 o 93.79391 33.83584 272.5730       238.2348 231.4193       321.8810 322.4264       354.2735 95.02155 38.05255 103.9300 40.44291 -8.908432      55.53040 
1 1 1 26  4  25 o 75.23543 31.03643 101.3156       221.7446 242.1887       290.7124 -94.67258      342.8976 93.09330 36.51631 76.05936 34.69477 17.03394       50.37031 
1 1 1 26  4  26 o 113.7148 39.11225 466.5463       315.5063 0.000000       0.000000 466.5463       315.5063 ?        ?        113.7148 39.11225 0.000000       39.11225 
1 1 1 26  4  27 o 139.6184 38.22404 726.1315       322.0883 0.000000       0.000000 726.1315       322.0883 ?        ?        139.6184 38.22404 0.000000       38.22404 
1 1 1 26  4  28 o 80.76160 30.47660 191.5385       197.0608 10.84570       257.4820 447.0302       306.1716 71.30877 31.47009 110.2296 38.49657 -38.92079      49.72275 
1 1 1 26  4  29 o 55.34053 25.86248 -140.8019      208.0516 -231.2914      284.0661 -36.09516      305.5680 61.52756 29.19853 73.11945 33.11655 -11.59190      44.15042 
1 1 1 26  4  30 o 60.47145 27.38057 -50.39777      208.7095 82.70903       300.8573 -173.8784      289.7742 78.96235 34.45558 64.28307 30.19518 14.67928       45.81414 
1 1 1 26  4  31 o 244.6710 15.29612 1844.782       218.3918 1689.723       316.6045 1985.533       301.6437 226.1041 24.25447 248.8156 20.86316 -22.71156      31.99298 
1 1 1 26  4  32 o 63.83620 27.55825 41.13524       188.2683 -91.70261      281.8858 148.1094       252.9599 66.44788 30.72738 78.68452 32.86221 -12.23663      44.98996 
1 1 1 26  4  33 o 57.85238 26.21940 -42.68958      191.9259 131.7170       292.1564 -175.0966      254.5596 79.76707 34.38199 59.01555 27.89799 20.75151       44.27662 
1 1 1 26  4  34 o 76.52386 30.10252 175.7396       198.0443 363.6380       303.3570 36.17315       261.4466 97.18059 37.53139 70.63544 31.41352 26.54515       48.94298 
1 1 1 26  4  35 o 41.07437 20.60927 -538.9451      216.1021 -384.3806      311.5154 -682.3288      300.0367 57.52283 28.09010 48.66385 24.39849 8.858986       37.20673 
1 1 1 26  4  36 o 70.32692 30.07221 95.52560       220.1894 121.7196       298.1858 64.11503       326.5307 78.02068 34.16753 76.63879 34.51598 1.381882       48.56720 
1 1 1 26  4  37 o 55.52068 26.43632 -184.6286      236.7896 -167.9157      343.1210 -199.8255      327.1888 67.48172 32.04330 64.84760 30.93266 2.634117       44.53765 
1 1 1 26  5  0  o 189.6588 27.76880 1111.483       299.7239 1007.529       367.1689 1319.107       518.9008 177.3137 36.52433 199.7056 45.34323 -22.39195      58.22401 
1 1 1 26  5  1  o 277.7603 21.16544 2319.917       342.1884 2280.605       430.8492 2387.081       563.1506 273.1821 27.25533 275.7383 35.65796 -2.556274      44.88144 
1 1 1 26  5  2  o 222.6668 25.49916 1513.314       326.9913 1101.399       419.8512 2148.387       521.3183 184.3009 39.99454 261.8340 34.81061 -77.53313      53.02208 
1 1 1 26  5  3  o 338.1887 19.48088 3420.705       384.7481 3219.696       471.9691 3818.911       664.2947 326.0643 24.86844 351.4264 32.60290 -25.36203      41.00473 
1 1 1 26  5  4  o 358.0833 18.68285 3827.975       390.9965 3778.833       489.9254 3914.181       648.8920 353.8511 23.74544 356.4764 31.35706 -2.625244      39.33333 
1 1 1 26  5  5  o 316.2749 20.66855 3000.931       381.2758 2896.592       479.3397 3180.656       629.1057 308.3673 26.76976 319.6639 34.08173 -11.29663      43.33802 
1 1 1 26  5  6  o 103.0370 39.97254 237.8015       345.2588 -57.46341      416.9079 882.3277       615.9627 91.25168 40.16686 163.6902 54.66407 -72.43849      67.83463 
1 1 1 26  5  7  o 71.14134 33.09884 -268.1172      334.7265 -221.8967      409.2269 -361.5522      581.8380 82.55624 37.75106 95.44356 44.13934 -12.88732      58.08118 
1 1 1 26  5  8  o 611.0133 18.63781 11132.72       667.0956 10866.26       888.6043 11476.82       1009.807 599.4485 25.33297 613.9447 28.11986 -14.49615      37.84820 
1 1 1 26  5  9  o 295.1965 22.49993 2630.324       386.5970 2424.794       490.3814 2967.823       628.3937 280.1225 30.33278 307.4525 35.50135 -27.32999      46.69500 
1 1 1 26  5  10 o 398.1177 19.11532 4741.359       445.0132 4935.043       569.5266 4437.722       713.0903 403.8336 24.15743 378.1843 32.46452 25.64929       40.46637 
1 1 1 26  5  11 o 508.9469 23.90943 7831.649       711.6665 7831.649       711.6665 0.000000       0.000000 508.9469 23.90943 ?        ?        0.000000       23.90943 
1 1 1 26  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  5  13 o 443.2195 25.19888 5979.500       652.3152 5979.500       652.3152 0.000000       0.000000 443.2195 25.19888 ?        ?        0.000000       25.19888 
1 1 1 26  5  14 o 151.2706 52.77114 760.6071       575.2347 760.6071       575.2347 0.000000       0.000000 151.2706 52.77114 ?        ?        0.000000       52.77114 
1 1 1 26  5  15 o 121.9757 43.86330 448.2658       399.9893 448.2658       399.9893 0.000000       0.000000 121.9757 43.86330 ?        ?        0.000000       43.86330 
1 1 1 26  5  16 o 149.3285 36.25224 734.6245       314.2573 386.9351       384.3033 1436.362       545.9662 115.9021 42.79238 204.2169 46.61504 -88.31483      63.27835 
1 1 1 26  5  17 o 298.6766 18.21113 2683.525       317.4823 2838.582       393.0309 2392.365       538.5759 305.4305 22.09064 273.3582 34.35084 32.07227       40.84087 
1 1 1 26  5  18 o 263.6815 18.67093 2098.144       286.8655 2226.948       352.8282 1846.946       492.7270 270.0092 22.48486 238.1915 36.42772 31.81769       42.80827 
1 1 1 26  5  19 o 336.3667 14.71011 3376.929       289.4864 2933.893       344.3179 4445.271       534.6811 311.6817 18.92559 380.6165 24.07620 -68.93475      30.62420 
1 1 1 26  5  20 o 176.7415 29.60560 1000.725       296.0327 928.7963       409.2208 1079.691       428.7701 163.6247 42.32712 176.8564 41.97216 -13.23166      59.60912 
1 1 1 26  5  21 o 133.3463 33.47539 592.6682       261.3683 455.9486       379.2583 716.3353       360.7007 119.1229 42.72694 143.6384 40.87173 -24.51549      59.12774 
1 1 1 26  5  22 o 78.59587 32.60722 91.44655       246.6670 -101.2767      325.0142 353.2522       378.8129 75.47510 34.17168 109.6428 42.04488 -34.16772      54.18003 
1 1 1 26  5  23 o 121.7335 32.40220 502.5140       235.3990 567.8253       324.6923 430.1505       341.7729 126.8001 39.46291 113.4831 40.57728 13.31702       56.60245 
1 1 1 26  5  24 o 172.0930 24.61345 948.3569       241.3533 1296.587       335.2979 573.9122       347.6894 198.0953 29.78144 125.7095 41.03128 72.38580       50.70010 
1 1 1 26  5  25 o 63.79334 28.60406 -48.48923      221.5052 -217.3711      298.0603 159.8335       331.0403 65.16677 30.61455 89.47646 37.49702 -24.30968      48.40741 
1 1 1 26  5  26 o 144.6722 26.53037 692.3014       216.8089 769.5247       296.8994 604.0737       317.3494 146.9282 34.96379 127.5081 38.89657 19.42007       52.30115 
1 1 1 26  5  27 o 125.2190 39.88407 594.1780       329.8325 0.000000       0.000000 594.1780       329.8325 ?        ?        125.2190 39.88407 0.000000       39.88407 
1 1 1 26  5  28 o 80.62400 30.79433 187.7110       202.6728 -102.9269      267.6834 578.1310       310.2497 65.80389 30.25410 123.2647 38.60766 -57.46086      49.04958 
1 1 1 26  5  29 f 93.42736 31.27012 303.2446       201.5463 87.07980       281.1413 531.7953       289.0837 77.98150 33.67065 118.0044 37.30960 -40.02292      50.25652 
1 1 1 26  5  30 o 139.8243 26.71743 666.3247       211.1074 742.5921       301.4406 592.9133       295.7428 139.5698 36.44016 123.4550 37.52688 16.11483       52.30824 
1 1 1 26  5  31 o 100.7610 31.39356 368.8207       205.4211 288.5272       289.2534 450.5239       291.7816 92.67620 36.40301 107.7598 37.58453 -15.08361      52.32376 
1 1 1 26  5  32 o 66.54402 28.40117 63.85378       195.7363 -10.46006      278.6446 136.2452       275.0168 70.30532 31.75394 79.30056 33.74955 -8.995239      46.33945 
1 1 1 26  5  33 o 59.96402 26.87956 -17.90450      195.4530 -28.31713      283.8270 -8.513060      269.5500 69.40567 31.62325 69.08407 31.21415 0.3216019      44.43370 
1 1 1 26  5  34 o 109.3919 30.06834 442.7218       198.8529 763.2961       298.7629 187.7516       266.4446 138.2132 36.37132 81.56349 33.86822 56.64969       49.69838 
1 1 1 26  5  35 o 63.24741 28.03078 16.56434       206.3784 381.2948       305.4744 -289.7018      279.9228 97.90785 37.70174 56.96921 27.54119 40.93864       46.68981 
1 1 1 26  5  36 o 71.90128 30.21846 119.7068       215.9540 441.4918       313.2344 -171.8027      298.1350 102.3975 38.47083 63.18856 29.96523 39.20890       48.76392 
1 1 1 26  5  37 o 95.42785 34.11929 357.9971       241.6377 685.7071       355.1797 75.62553       329.6961 121.8785 41.51032 77.12135 34.71245 44.75712       54.11156 
1 1 1 26  6  0  o 229.6066 23.09350 1597.502       306.7553 1201.417       368.1660 2496.740       554.7368 195.2739 33.34379 282.7921 34.13786 -87.51826      47.72004 
1 1 1 26  6  1  o 349.4874 18.14468 3643.582       370.6309 3627.330       461.7346 3673.021       621.4539 347.0042 22.81514 345.3749 31.01064 1.629242       38.49923 
1 1 1 26  6  2  o 463.8831 17.07137 6400.405       463.6454 6742.739       621.0932 5969.521       696.8060 473.7467 22.41784 443.3411 26.92625 30.40558       35.03688 
1 1 1 26  6  3  f 296.9964 20.97312 2649.615       362.9632 2242.802       437.0398 3553.985       651.6242 270.5986 27.94011 338.4960 33.25286 -67.89734      43.43274 
1 1 1 26  6  4  o 352.0260 19.29720 3704.933       396.8765 3839.574       495.0132 3462.637       664.0499 356.6231 23.80403 333.3979 34.45750 23.22516       41.88021 
1 1 1 26  6  5  o 220.4201 25.95850 1485.945       329.1415 1218.069       400.7520 2041.162       576.9527 195.4697 36.29375 252.3167 40.34782 -56.84703      54.26954 
1 1 1 26  6  6  o 313.7450 20.62581 2954.004       377.4182 2730.864       459.6206 3415.952       661.3132 299.4097 26.44640 330.9609 34.58030 -31.55118      43.53400 
1 1 1 26  6  7  o 579.6503 27.24269 10209.09       923.5274 0.000000       0.000000 10209.09       923.5274 ?        ?        579.6503 27.24269 0.000000       27.24269 
1 1 1 26  6  8  o 176.6647 36.14072 1001.292       361.8176 1058.293       444.0089 888.6268       624.2346 179.1641 42.83704 163.7115 55.03485 15.45268       69.74129 
1 1 1 26  6  9  o 301.1388 21.42264 2731.033       375.8763 2324.877       465.8294 3488.925       636.3320 274.5224 29.39020 334.9610 32.81258 -60.43863      44.05053 
1 1 1 26  6  10 o 607.5797 24.78897 11175.11       881.4535 11175.11       881.4535 0.000000       0.000000 607.5797 24.78897 ?        ?        0.000000       24.78897 
1 1 1 26  6  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  6  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  6  13 o 132.0541 52.42161 441.1949       605.5944 441.1949       605.5944 0.000000       0.000000 132.0541 52.42161 ?        ?        0.000000       52.42161 
1 1 1 26  6  14 o 159.7292 52.93242 880.4318       577.7963 880.4318       577.7963 0.000000       0.000000 159.7292 52.93242 ?        ?        0.000000       52.93242 
1 1 1 26  6  15 o 175.7229 40.16279 1030.065       404.8473 1030.065       404.8473 0.000000       0.000000 175.7229 40.16279 ?        ?        0.000000       40.16279 
1 1 1 26  6  16 o 141.3073 35.23256 656.2124       290.9635 1027.547       359.9717 -43.63604      494.1827 177.2569 35.86006 97.76152 43.34890 79.49538       56.25896 
1 1 1 26  6  17 o 56.77044 27.51912 -435.7822      284.2906 -415.0663      353.5392 -473.6887      478.2357 66.99089 32.00971 79.54346 37.78777 -12.55257      49.52309 
1 1 1 26  6  18 o 171.2699 28.20203 928.2389       273.4261 1057.053       335.6299 674.0417       471.4804 180.8251 32.85833 141.1329 47.82923 39.69211       58.02848 
1 1 1 26  6  19 o 168.5010 28.28729 902.3651       269.6443 718.6855       331.4571 1261.797       463.6662 145.9709 38.26030 191.9243 42.33186 -45.95334      57.05994 
1 1 1 26  6  20 o 310.9571 15.63964 2899.284       284.3029 3093.169       373.5542 2632.376       438.2905 318.9737 20.07037 290.6914 25.98230 28.28232       32.83138 
1 1 1 26  6  21 o 58.61584 27.92535 -296.7212      264.9544 -150.8723      375.0330 -442.0565      374.3721 79.21569 36.19161 67.84977 32.55831 11.36592       48.68137 
1 1 1 26  6  22 f 227.6075 19.71535 1589.514       260.5804 1563.795       349.6507 1621.643       390.8071 221.2437 27.54182 223.2493 30.65721 -2.005646      41.21185 
1 1 1 26  6  23 o 160.7630 25.56589 829.9340       232.9820 801.8594       320.7836 861.2760       338.9381 151.5753 36.51997 156.6385 37.41111 -5.063171      52.28097 
1 1 1 26  6  24 o 80.04387 32.03714 145.3698       228.0305 403.4425       309.0771 -162.9007      337.8016 108.8756 38.62384 72.60717 33.59725 36.26840       51.19156 
1 1 1 26  6  25 o 85.83174 31.97371 217.8816       215.4273 4.557191       287.6273 490.4590       325.1282 75.25916 33.23532 116.4807 39.71459 -41.22154      51.78643 
1 1 1 26  6  26 o 46.20367 22.62980 -354.4344      206.6786 -617.0906      292.1017 -91.10803      292.4741 50.86923 25.27706 70.00013 31.97345 -19.13090      40.75821 
1 1 1 26  6  27 o 85.01235 31.80144 218.6632       213.5573 312.5819       288.6527 105.0883       317.4247 97.70712 36.88225 83.50484 35.91385 14.20229       51.47917 
1 1 1 26  6  28 o 65.00087 28.20966 23.69934       199.3773 92.21149       277.1910 -49.74145      286.9882 78.53081 33.66405 70.78018 32.07180 7.750626       46.49590 
1 1 1 26  6  29 o 67.97955 28.95096 61.05989       202.6096 336.3169       282.3532 -231.1230      290.9048 97.90859 36.57862 62.17077 29.51655 35.73782       47.00237 
1 1 1 26  6  30 o 46.14390 22.56657 -324.3305      203.2229 -165.8662      275.3323 -513.9807      301.2090 62.82362 29.48543 53.81223 26.54492 9.011398       39.67397 
1 1 1 26  6  31 o 116.5761 29.51853 486.1660       201.9867 573.8739       283.1193 395.2476       288.2545 121.1266 36.69618 102.1997 37.16962 18.92687       52.23208 
1 1 1 26  6  32 o 122.8366 28.53464 536.9509       201.6268 271.7811       287.5243 793.5158       282.8207 90.26988 36.02669 145.1485 33.84872 -54.87866      49.43336 
1 1 1 26  6  33 o 63.42141 28.07199 12.80245       206.3387 -1.528261      300.2184 25.63251       284.0651 72.22585 32.75703 72.28487 32.40350 -0.5902863E-01 46.07613 
1 1 1 26  6  34 o 61.76965 27.68166 -9.276335      207.1434 -105.6621      303.1711 75.11945       283.6885 67.10092 31.31274 74.85431 33.03389 -7.753387      45.51622 
1 1 1 26  6  35 o 53.30515 25.05589 -130.9116      200.1293 -221.2123      303.2270 -61.21883      266.3891 61.98852 29.62635 65.12842 30.02934 -3.139900      42.18391 
1 1 1 26  6  36 o 45.31567 22.26652 -332.7994      205.1861 103.5770       318.4906 -642.4319      268.2805 78.13847 34.71552 45.52224 22.85790 32.61622       41.56502 
1 1 1 26  6  37 o 64.76196 29.06720 8.758874       229.3602 321.0211       351.7141 -222.2912      302.5402 92.45191 38.69061 61.41668 29.41753 31.03523       48.60405 
1 1 1 26  7  0  o 408.9323 16.91285 4975.318       404.7439 4598.180       496.9525 5718.389       697.5566 391.2585 21.74262 433.4072 27.58626 -42.14877      35.12468 
1 1 1 26  7  1  o 299.4158 19.43659 2684.351       339.4627 2593.767       421.0247 2852.640       573.8649 292.4198 24.78312 303.1134 32.80363 -10.69360      41.11303 
1 1 1 26  7  2  o 167.8400 32.75653 891.9274       310.8581 835.2336       355.7854 1074.845       639.0697 160.5535 38.31889 177.6975 55.37350 -17.14398      67.33916 
1 1 1 26  7  3  o 286.8518 21.75752 2477.632       363.3008 2565.265       444.9839 2302.445       629.1619 290.1359 26.44147 267.6270 41.42192 22.50891       49.14191 
1 1 1 26  7  4  o 281.6356 21.16886 2385.591       347.0925 2422.723       426.4706 2312.739       597.3599 282.0359 26.07829 269.5665 38.90986 12.46939       46.84074 
1 1 1 26  7  5  o 163.9982 35.62519 862.5404       332.8230 1089.935       392.9064 284.8727       626.2357 184.0501 37.67005 126.7317 52.20611 57.31845       64.37788 
1 1 1 26  7  6  o 334.5287 19.61771 3350.796       383.1969 3473.765       474.8096 3121.079       648.9608 338.8993 24.04517 315.4320 35.70744 23.46722       43.04871 
1 1 1 26  7  7  o 77.41270 34.96609 -142.2940      337.9276 -69.47619      398.4743 -328.7942      637.7072 88.43125 39.08250 101.4932 46.67501 -13.06193      60.87692 
1 1 1 26  7  8  o 254.6425 24.73435 1974.129       364.7394 1601.081       442.8294 2761.094       643.1786 225.0854 34.65616 294.7959 38.09091 -69.71056      51.49725 
1 1 1 26  7  9  o 332.5662 38.16653 3513.548       730.9336 0.000000       0.000000 3513.548       730.9336 ?        ?        332.5662 38.16653 0.000000       38.16653 
1 1 1 26  7  10 o 304.3156 27.69258 2842.888       488.8326 2842.888       488.8326 0.000000       0.000000 304.3156 27.69258 ?        ?        0.000000       27.69258 
1 1 1 26  7  11 o 591.6265 24.59973 10609.94       851.6867 10609.94       851.6867 0.000000       0.000000 591.6265 24.59973 ?        ?        0.000000       24.59973 
1 1 1 26  7  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  7  13 o 348.2118 26.44706 3721.115       536.0572 3721.115       536.0572 0.000000       0.000000 348.2118 26.44706 ?        ?        0.000000       26.44706 
1 1 1 26  7  14 o 293.8936 39.75331 2814.793       667.6416 2814.793       667.6416 0.000000       0.000000 293.8936 39.75331 ?        ?        0.000000       39.75331 
1 1 1 26  7  15 o 231.3541 29.88189 1682.001       395.9883 1682.001       395.9883 0.000000       0.000000 231.3541 29.88189 ?        ?        0.000000       29.88189 
1 1 1 26  7  16 o 133.1821 42.21018 588.5639       369.8143 588.5639       369.8143 0.000000       0.000000 133.1821 42.21018 ?        ?        0.000000       42.21018 
1 1 1 26  7  17 o 155.7071 39.89573 817.5753       365.9342 817.5753       365.9342 0.000000       0.000000 155.7071 39.89573 ?        ?        0.000000       39.89573 
1 1 1 26  7  18 o 47.52986 23.65366 -620.7267      259.7202 -492.7364      322.8097 -855.6434      437.3356 60.20273 29.21602 64.65877 31.91236 -4.456039      43.26632 
1 1 1 26  7  19 o 153.2082 31.19994 762.5215       270.8047 824.4618       343.7126 661.1356       439.7417 156.3266 37.88954 138.7455 46.18398 17.58109       59.73757 
1 1 1 26  7  20 o 74.03194 32.08092 6.850044       257.0662 -121.8581      334.8152 191.6774       401.2225 76.21053 34.57564 100.8142 41.68371 -24.60364      54.15724 
1 1 1 26  7  21 o 63.98314 29.08888 -105.0262      238.5112 -246.2703      317.2038 78.71295       361.7880 67.87498 31.78954 89.73592 38.46329 -21.86094      49.89989 
1 1 1 26  7  22 o 72.01170 31.30781 9.110132       246.4791 69.52528       336.6261 -60.71435      361.8918 85.95847 36.97681 81.19072 36.47064 4.767746       51.93643 
1 1 1 26  7  23 o 199.6260 20.53803 1238.259       237.0241 1086.154       325.4432 1410.084       345.8966 179.9403 32.01206 207.5431 29.22592 -27.60283      43.34658 
1 1 1 26  7  24 o 90.50449 33.13959 250.8215       229.7036 209.8963       316.3155 296.4821       334.1147 92.28568 37.44981 100.0668 39.17828 -7.781120      54.19803 
1 1 1 26  7  25 o 62.85508 28.23099 -50.08148      216.7711 71.67101       304.4902 -175.2029      308.6740 81.02694 35.01345 68.11720 31.72309 12.90974       47.24718 
1 1 1 26  7  26 o 76.08677 30.50204 134.0909       207.0428 -1.218009      281.8069 292.7913       305.1950 73.72294 32.70992 96.98508 37.59364 -23.26214      49.83192 
1 1 1 26  7  27 o 104.1935 31.06907 379.1729       204.1375 483.4524       292.0799 279.5922       285.4233 114.3916 37.62275 94.40510 36.41957 19.98655       52.36274 
1 1 1 26  7  28 o 61.04679 27.37975 -35.93414      203.0956 209.0798       292.4834 -264.0738      282.2319 88.10258 35.91491 60.10387 28.68624 27.99871       45.96500 
1 1 1 26  7  29 o 98.95335 32.06277 350.5002       212.5160 251.2379       296.1618 455.8614       305.1245 90.76444 36.44816 109.1604 38.40751 -18.39600      52.94909 
1 1 1 26  7  30 o 87.78543 36.37841 212.1665       306.5372 0.000000       0.000000 212.1665       306.5372 ?        ?        87.78543 36.37841 0.000000       36.37841 
1 1 1 26  7  31 o 71.13671 29.75741 99.97915       207.9148 66.37431       288.7565 136.1591       299.6160 76.11021 33.46772 81.44045 34.95689 -5.330246      48.39497 
1 1 1 26  7  32 o 72.70611 29.91184 125.6854       205.2301 214.9049       297.5107 44.68504       283.4760 86.05917 35.76613 73.71582 32.75108 12.34335       48.49587 
1 1 1 26  7  33 o 49.06690 23.75613 -261.6350      210.2218 -262.2192      310.3007 -261.1394      285.8047 61.72421 29.62486 59.03352 28.35897 2.690693       41.01052 
1 1 1 26  7  34 o 68.48267 29.52125 71.45163       215.4334 -90.77334      315.6053 212.9892       294.7958 68.87989 32.07795 84.72138 35.43627 -15.84149      47.79879 
1 1 1 26  7  35 o 64.31721 28.38105 28.95024       209.3536 362.5547       341.3351 -172.2245      265.0646 96.12020 38.94035 59.66747 28.28346 36.45273       48.12801 
1 1 1 26  7  36 o 77.05584 30.74331 182.8715       209.3106 392.3900       334.3127 47.79187       268.4333 97.90392 38.92175 71.11130 31.71480 26.79263       50.20689 
1 1 1 26  7  37 f 74.96311 30.48874 164.0798       210.2051 424.2155       305.6122 -69.48640      289.5848 100.1152 37.91447 66.39499 30.85511 33.72018       48.88297 
1 1 1 26  8  0  o 235.3840 19.27098 1662.828       263.7036 1883.624       370.6727 1436.563       375.2355 248.4633 25.81350 214.8862 30.64147 33.57706       40.06540 
1 1 1 26  8  1  o 136.6423 36.82912 601.4629       301.7789 519.5733       344.8815 869.0266       623.4034 128.3461 40.77269 162.5836 54.99860 -34.23750      68.46355 
1 1 1 26  8  2  o 71.62057 32.37202 -130.8877      290.2295 -12.16350      333.5396 -501.0642      588.9552 84.18357 36.51097 91.55015 43.01713 -7.366577      56.42273 
1 1 1 26  8  3  o 71.73062 32.28672 -116.0931      285.2434 13.58776       332.3824 -478.5045      555.6494 85.63282 36.78856 88.96172 41.79530 -3.328903      55.67984 
1 1 1 26  8  4  o 158.5658 35.91680 808.7764       326.2339 749.9086       381.3895 969.3021       629.7987 151.3824 41.65409 169.7238 55.21111 -18.34143      69.16163 
1 1 1 26  8  5  o 114.0929 38.78258 389.3689       310.0137 283.6947       356.9917 713.4894       625.2114 107.4821 40.91391 151.7742 54.80537 -44.29211      68.39281 
1 1 1 26  8  6  o 144.1313 38.12046 674.1980       327.1292 723.8948       376.0261 519.5181       663.3933 148.7114 41.52918 141.2167 55.23016 7.494690       69.10169 
1 1 1 26  8  7  o 213.6526 28.10438 1410.515       343.6229 1315.557       411.4151 1629.566       624.8680 203.0939 35.85114 219.3951 49.71753 -16.30122      61.29549 
1 1 1 26  8  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  8  10 o 306.6348 24.83767 2863.666       442.8454 2863.666       442.8454 0.000000       0.000000 306.6348 24.83767 ?        ?        0.000000       24.83767 
1 1 1 26  8  11 o 661.5059 25.94835 13325.35       1004.733 13325.35       1004.733 0.000000       0.000000 661.5059 25.94835 ?        ?        0.000000       25.94835 
1 1 1 26  8  12 o 547.5258 24.05221 9102.652       770.4581 9102.652       770.4581 0.000000       0.000000 547.5258 24.05221 ?        ?        0.000000       24.05221 
1 1 1 26  8  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  8  14 o 128.1071 40.84878 535.0901       345.9050 535.0901       345.9050 0.000000       0.000000 128.1071 40.84878 ?        ?        0.000000       40.84878 
1 1 1 26  8  15 o 314.7720 33.10528 3142.235       602.0067 3142.235       602.0067 0.000000       0.000000 314.7720 33.10528 ?        ?        0.000000       33.10528 
1 1 1 26  8  16 o 221.4949 29.08193 1542.887       368.6613 1542.887       368.6613 0.000000       0.000000 221.4949 29.08193 ?        ?        0.000000       29.08193 
1 1 1 26  8  17 o 169.1437 28.59624 907.5814       273.5706 1078.126       349.8005 638.9829       438.9892 182.0850 34.00663 137.8701 46.14979 44.21481       57.32586 
1 1 1 26  8  18 o 215.6466 22.63335 1429.774       281.9870 1331.829       354.1122 1599.532       466.1913 204.3295 30.48110 220.0649 37.46218 -15.73544      48.29609 
1 1 1 26  8  19 o 267.5642 17.53649 2160.238       273.6661 2135.817       348.1308 2199.740       442.7554 263.5403 22.74638 263.6937 29.11362 -0.1533813     36.94592 
1 1 1 26  8  20 o 208.9777 22.59432 1351.483       272.5189 1374.425       358.4696 1320.066       419.4821 206.5187 30.51433 197.9859 37.49924 8.532867       48.34581 
1 1 1 26  8  21 o 93.53011 33.58965 260.8684       234.4737 310.2550       312.0144 196.7938       355.3968 102.6500 38.43122 96.53414 39.49915 6.115845       55.11027 
1 1 1 26  8  22 o 109.9779 32.25047 407.2532       221.4660 476.1500       277.4001 286.1510       367.7758 117.5638 36.45781 102.7199 40.82751 14.84390       54.73625 
1 1 1 26  8  23 o 167.4630 24.78320 899.7507       236.0643 1247.032       332.3687 546.2286       335.3417 193.9119 30.20958 123.1726 40.30194 70.73930       50.36730 
1 1 1 26  8  24 o 57.84481 27.08716 -174.4610      230.1333 -48.72451      326.6377 -298.3966      324.2901 76.55386 34.49581 65.13808 30.99357 11.41577       46.37415 
1 1 1 26  8  25 o 73.53609 30.27669 100.7306       210.4801 381.4152       293.7655 -195.3637      301.7216 105.1176 37.61577 66.24568 31.01922 38.87196       48.75591 
1 1 1 26  8  26 o 153.3311 24.24928 765.3707       210.8183 703.0101       302.8845 823.9730       293.6156 138.3598 36.72099 152.5636 33.71435 -14.20372      49.85066 
1 1 1 26  8  27 o 85.18549 31.08788 228.7090       201.8887 521.3390       293.2952 -34.80212      278.3204 118.0320 37.61188 70.83385 31.88698 47.19813       49.30956 
1 1 1 26  8  28 o 87.52497 31.62744 251.8892       208.2590 118.5558       303.5535 370.4573       286.2527 82.08542 35.20893 101.6314 37.02875 -19.54601      51.09596 
1 1 1 26  8  29 o 82.66987 31.79370 208.1841       217.0437 -275.6458      305.5121 701.2062       308.4007 61.98272 29.65451 134.4237 37.63566 -72.44099      47.91485 
1 1 1 26  8  30 o 67.51060 29.28665 43.59347       214.7078 205.0023       303.8495 -117.3766      303.4363 86.87764 36.12896 67.98427 31.59052 18.89337       47.99232 
1 1 1 26  8  31 o 57.90164 28.07469 -344.0074      296.3786 0.000000       0.000000 -344.0074      296.3786 ?        ?        57.90164 28.07469 0.000000       28.07469 
1 1 1 26  8  32 o 94.82217 32.28043 331.5494       214.7867 471.6174       311.0508 203.8943       296.9482 107.6538 38.68460 85.05422 35.56973 22.59956       52.55191 
1 1 1 26  8  33 o 169.6017 22.33873 954.1653       216.8004 931.4432       318.6165 973.7566       295.8519 154.0412 35.93007 161.7745 32.31427 -7.733322      48.32372 
1 1 1 26  8  34 o 151.4669 25.78167 794.1459       220.8261 796.5319       332.4102 792.2611       295.4393 137.1695 39.30294 141.3424 35.65066 -4.172943      53.06308 
1 1 1 26  8  35 o 103.6719 32.60409 418.8989       221.0383 151.3279       361.5910 578.5391       279.2990 83.29778 36.99986 118.0010 36.58055 -34.70318      52.03005 
1 1 1 26  8  36 o 89.70824 33.01283 302.1148       228.4047 817.8630       365.6249 -27.96704      292.5013 133.7003 41.91689 69.01373 31.69150 64.68656       52.54881 
1 1 1 26  9  0  o 438.9041 18.21208 5745.745       467.7730 0.000000       0.000000 5745.745       467.7730 ?        ?        438.9041 18.21208 0.000000       18.21208 
1 1 1 26  9  1  o 67.36634 30.73969 -152.7363      269.4648 -133.1361      306.2567 -219.9254      567.0291 73.69485 33.28698 99.01922 44.95208 -25.32436      55.93490 
1 1 1 26  9  2  o 191.3506 26.87994 1129.149       293.3481 1355.426       345.8283 548.6635       553.9056 209.1842 28.96545 138.1767 51.30867 71.00748       58.92009 
1 1 1 26  9  3  o 57.19151 27.67224 -437.3891      284.1052 -243.2083      326.1039 -1048.965      578.7327 70.99225 32.90585 76.51592 37.55649 -5.523674      49.93281 
1 1 1 26  9  4  o 58.52832 28.08608 -377.4810      278.6297 -522.4959      315.4766 136.8016       594.1030 58.94288 28.66833 116.7161 49.63631 -57.77324      57.32047 
1 1 1 26  9  5  o 215.3991 26.82849 1426.800       331.5891 1594.713       382.8091 922.2487       663.5784 226.8532 29.46889 166.2319 56.73605 60.62128       63.93274 
1 1 1 26  9  6  o 235.7279 25.02301 1696.503       340.6619 1679.437       400.9179 1740.824       646.1003 232.5249 30.10513 226.6443 49.95565 5.880630       58.32568 
1 1 1 26  9  7  o 71.40930 32.87762 -206.3214      317.6833 -318.9452      364.0267 153.4537       650.6292 72.66017 34.03854 121.1259 51.74108 -48.46577      61.93353 
1 1 1 26  9  8  f 91.21141 37.06252 134.7183       310.2817 -130.4999      354.2963 1007.637       642.7643 79.83573 35.95485 171.1577 55.78345 -91.32200      66.36674 
1 1 1 26  9  9  o 369.4048 22.97941 4127.990       495.3771 4127.990       495.3771 0.000000       0.000000 369.4048 22.97941 ?        ?        0.000000       22.97941 
1 1 1 26  9  10 o 217.1927 33.93785 1498.422       418.1591 1498.422       418.1591 0.000000       0.000000 217.1927 33.93785 ?        ?        0.000000       33.93785 
1 1 1 26  9  11 o 606.9855 24.43204 11192.27       867.9612 11192.27       867.9612 0.000000       0.000000 606.9855 24.43204 ?        ?        0.000000       24.43204 
1 1 1 26  9  12 o 645.8002 25.26692 12721.14       955.1292 12721.14       955.1292 0.000000       0.000000 645.8002 25.26692 ?        ?        0.000000       25.26692 
1 1 1 26  9  13 o 125.0022 40.31202 504.8663       336.1841 504.8663       336.1841 0.000000       0.000000 125.0022 40.31202 ?        ?        0.000000       40.31202 
1 1 1 26  9  14 o 107.6700 40.69889 310.5440       351.7617 310.5440       351.7617 0.000000       0.000000 107.6700 40.69889 ?        ?        0.000000       40.69889 
1 1 1 26  9  15 o 91.83059 38.29587 112.5522       342.7790 112.5522       342.7790 0.000000       0.000000 91.83059 38.29587 ?        ?        0.000000       38.29587 
1 1 1 26  9  16 o 241.0459 25.63223 1799.342       356.8070 1799.342       356.8070 0.000000       0.000000 241.0459 25.63223 ?        ?        0.000000       25.63223 
1 1 1 26  9  17 o 65.86381 30.16829 -146.1703      262.7903 -97.16729      336.0387 -223.3211      421.6461 78.19302 35.13233 82.14613 37.84129 -3.953102      51.63568 
1 1 1 26  9  18 o 105.8614 35.54580 352.1729       260.4097 210.2618       315.1309 657.7350       462.4156 95.82436 37.88634 138.5885 47.36046 -42.76414      60.64972 
1 1 1 26  9  19 o 188.3033 26.22684 1117.275       281.7883 1250.389       356.0098 893.9911       461.0823 196.2460 32.03642 157.7951 46.60406 38.45097       56.55326 
1 1 1 26  9  20 o 107.4473 35.23301 375.4408       256.2310 345.1342       335.2029 418.0421       397.4202 107.3638 39.90519 116.0564 43.38897 -8.692673      58.94936 
1 1 1 26  9  21 o 69.97558 30.28679 12.55152       228.5637 82.23428       295.0026 -92.10007      361.5232 82.76844 35.07903 79.68752 36.06322 3.080917       50.30998 
1 1 1 26  9  22 o 190.8099 20.72105 1132.344       228.1613 1076.241       283.9116 1234.647       383.3856 182.2265 27.41416 189.4629 35.81522 -7.236328      45.10284 
1 1 1 26  9  23 o 65.20512 28.62312 -7.794699      210.3808 -21.67768      276.6063 11.25782       324.0387 72.78436 32.34369 79.88632 35.27763 -7.101959      47.86048 
1 1 1 26  9  24 o 281.8414 13.55118 2394.747       223.3356 2467.157       287.2629 2284.098       355.1033 283.6311 17.35237 268.6983 22.74759 14.93280       28.61045 
1 1 1 26  9  25 o 116.8727 31.26896 475.9563       218.5201 448.9556       292.7967 509.9045       328.3119 111.5760 37.69227 117.3180 39.91023 -5.741951      54.89566 
1 1 1 26  9  26 o 123.7561 28.47354 522.7952       202.3605 615.8868       291.9950 436.7658       280.7009 129.0750 36.78883 109.8238 36.90494 19.25120       52.10943 
1 1 1 26  9  27 o 98.91989 30.65602 341.3904       196.1726 220.1346       285.3858 450.0082       270.1043 88.78139 35.73465 110.5662 36.16952 -21.78483      50.84485 
1 1 1 26  9  28 o 61.66945 27.38727 -12.88818      198.0133 399.8099       277.4847 -441.1024      282.6529 104.0856 36.62627 53.76213 26.35920 50.32351       45.12528 
1 1 1 26  9  29 o 63.65462 28.25142 -4.764093      210.3809 2.533441       298.5091 -11.96605      296.5478 73.83524 33.14841 72.84334 32.84218 0.9918976      46.66290 
1 1 1 26  9  30 o 88.10419 32.28029 264.7855       217.9969 158.0124       308.4515 371.3409       308.1371 83.63435 35.67284 100.0686 38.03043 -16.43427      52.14274 
1 1 1 26  9  31 o 149.7026 25.59594 763.8276       216.6557 1177.891       315.8437 395.8432       297.7510 181.2867 30.80814 101.3431 37.62079 79.94363       48.62577 
1 1 1 26  9  32 o 98.74576 32.88425 367.3937       222.9362 209.6059       325.7245 506.4489       305.7788 86.65977 36.79974 110.8791 38.48734 -24.21931      53.24938 
1 1 1 26  9  33 o 60.38974 27.38379 -35.27012      209.6852 -117.6561      320.3712 26.47094       277.3408 68.23499 31.95483 71.40489 32.01269 -3.169907      45.23188 
1 1 1 26  9  34 o 69.80378 29.92950 86.97221       219.1894 583.0582       338.5281 -271.1246      287.6182 114.8804 40.45234 58.49440 28.18871 56.38604       49.30512 
1 1 1 26  9  35 o 80.64711 32.17429 210.0829       229.2362 230.7213       363.7121 196.4815       295.2639 87.70432 38.08169 82.65108 35.06468 5.053238       51.76627 
1 1 1 26  9  36 o 61.91600 28.12066 -25.47483      222.2019 222.2121       347.6216 -196.5916      288.9359 86.29609 37.35085 61.05737 29.10899 25.23872       47.35418 
1 1 1 26  10 0  o 173.5462 36.27197 968.8472       357.2702 0.000000       0.000000 968.8472       357.2702 ?        ?        173.5462 36.27197 0.000000       36.27197 
1 1 1 26  10 1  o 478.1742 18.52844 6825.561       518.6243 0.000000       0.000000 6825.561       518.6243 ?        ?        478.1742 18.52844 0.000000       18.52844 
1 1 1 26  10 2  o 169.1115 29.38432 895.4916       280.8626 722.4911       318.4881 1500.655       595.6701 149.3914 36.63559 210.6855 49.11772 -61.29401      61.27575 
1 1 1 26  10 3  o 71.02738 31.79783 -94.91663      272.5682 13.56587       310.2811 -461.5773      570.4370 82.81551 35.56079 90.71638 42.53323 -7.900871      55.44047 
1 1 1 26  10 4  f 202.5707 26.11349 1261.921       303.0263 1245.875       345.2169 1315.791       632.5511 199.6511 30.44467 194.8552 53.65504 4.795883       61.69069 
1 1 1 26  10 5  o 99.07024 45.45375 -290.2493      599.9051 0.000000       0.000000 -290.2493      599.9051 ?        ?        99.07024 45.45375 0.000000       45.45375 
1 1 1 26  10 6  o 208.0356 27.11841 1336.262       322.9981 1144.387       366.6160 2001.764       682.7722 189.4993 34.24799 243.1969 49.55436 -53.69760      60.23753 
1 1 1 26  10 7  o 165.6852 33.95391 880.0408       318.8347 921.2225       368.7641 758.1015       634.5539 167.9618 38.28959 153.7103 55.25082 14.25156       67.22162 
1 1 1 26  10 8  o 481.1558 22.10082 6979.779       621.9898 6979.779       621.9898 0.000000       0.000000 481.1558 22.10082 ?        ?        0.000000       22.10082 
1 1 1 26  10 9  o 182.6608 35.21121 1074.059       363.5298 1074.059       363.5298 0.000000       0.000000 182.6608 35.21121 ?        ?        0.000000       35.21121 
1 1 1 26  10 10 o 379.7190 21.67272 4355.875       480.6390 4355.875       480.6390 0.000000       0.000000 379.7190 21.67272 ?        ?        0.000000       21.67272 
1 1 1 26  10 11 o 456.4653 17.21695 6228.246       460.0820 6228.246       460.0820 0.000000       0.000000 456.4653 17.21695 ?        ?        0.000000       17.21695 
1 1 1 26  10 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  10 13 f 176.7218 53.37061 1120.973       599.5341 1120.973       599.5341 0.000000       0.000000 176.7218 53.37061 ?        ?        0.000000       53.37061 
1 1 1 26  10 14 o 213.4548 27.76648 1425.043       339.3677 1425.043       339.3677 0.000000       0.000000 213.4548 27.76648 ?        ?        0.000000       27.76648 
1 1 1 26  10 15 o 222.0915 28.13139 1545.877       358.2076 1545.877       358.2076 0.000000       0.000000 222.0915 28.13139 ?        ?        0.000000       28.13139 
1 1 1 26  10 16 o 347.7266 18.96389 3647.713       385.2733 3647.713       385.2733 0.000000       0.000000 347.7266 18.96389 ?        ?        0.000000       18.96389 
1 1 1 26  10 17 o 242.7392 19.71853 1789.818       278.2991 2047.714       350.5863 1350.442       457.6046 257.9620 23.42863 199.8477 40.43296 58.11430       46.73034 
1 1 1 26  10 18 o 318.4476 15.76574 3041.478       293.5286 2674.063       347.3839 3958.608       548.8411 296.4752 20.09766 356.4896 26.43941 -60.01443      33.21082 
1 1 1 26  10 19 o 107.6484 36.58815 370.3650       275.9225 559.6503       346.8861 44.30255       455.2802 127.9718 40.91761 96.45262 42.22980 31.51917       58.80142 
1 1 1 26  10 20 o 108.6542 34.74522 390.4618       250.1189 366.5890       322.8070 426.3237       395.6476 108.1910 39.33641 115.9507 43.30363 -7.759720      58.50264 
1 1 1 26  10 21 o 149.9523 27.04215 729.8253       229.0706 626.5817       283.7285 923.1114       388.2146 134.5133 35.46658 159.9923 41.14395 -25.47905      54.32037 
1 1 1 26  10 22 o 200.5292 19.85928 1247.184       230.4919 1291.271       291.8637 1174.121       375.7236 200.7643 25.35235 183.6888 36.16455 17.07545       44.16578 
1 1 1 26  10 23 o 212.4173 17.92528 1389.443       221.2269 1235.238       285.6865 1620.412       349.6365 195.5464 25.51915 222.8607 27.32142 -27.31425      37.38565 
1 1 1 26  10 24 o 72.95454 29.75706 105.3813       200.9259 105.4736       262.6169 105.2510       312.0346 79.26090 33.31835 83.73370 35.80176 -4.472794      48.90684 
1 1 1 26  10 25 o 57.21615 26.20378 -90.47047      198.1712 -87.92081      260.7753 -93.95541      304.8770 66.15250 30.20651 71.07534 32.53248 -4.922836      44.39364 
1 1 1 26  10 26 o 155.6440 23.98927 789.9159       211.9517 834.8165       314.1176 752.3861       287.1804 151.1090 35.96640 144.4836 34.38983 6.625336       49.76186 
1 1 1 26  10 27 o 139.0382 25.78984 647.2297       202.5558 447.8411       287.6804 843.2627       285.2494 109.5774 37.35758 153.7967 32.63622 -44.21932      49.60556 
1 1 1 26  10 28 o 164.4635 22.89768 884.0264       214.8764 941.2135       314.4197 833.9118       294.3358 159.9586 34.52913 150.6449 34.11066 9.313705       48.53656 
1 1 1 26  10 29 o 177.3029 22.21820 1023.468       225.9747 929.1013       317.7168 1120.076       321.4692 157.5411 35.26759 176.6390 32.21820 -19.09795      47.76835 
1 1 1 26  10 30 o 58.82994 27.24999 -103.9506      223.0685 -17.94707      311.6119 -194.3452      319.4679 73.33031 33.30331 66.08913 31.24518 7.241180       45.66587 
1 1 1 26  10 31 o 97.62698 32.00214 352.9911       211.4002 392.7147       307.7660 317.5072       290.8784 100.6877 38.06670 93.97380 36.62415 6.713860       52.82426 
1 1 1 26  10 32 o 51.48900 24.75747 -233.7918      218.9760 -256.5735      317.8139 -213.2020      302.1380 62.70847 30.06671 62.66237 29.84400 0.4610062E-01  42.36356 
1 1 1 26  10 33 o 63.28007 28.25438 2.470770       213.6885 42.54357       331.8344 -25.92020      279.3102 76.58269 34.61478 68.56406 31.29004 8.018623       46.66101 
1 1 1 26  10 34 o 55.78869 26.44440 -167.4420      231.6957 -165.9080      354.4687 -168.5864      306.1504 68.82323 32.64795 64.24229 30.43571 4.580948       44.63430 
1 1 1 26  10 35 o 67.84393 30.32276 27.29066       246.7787 -118.1630      400.7477 116.1390       313.2083 73.83232 34.93249 78.40797 34.65130 -4.575645      49.20357 
1 1 1 26  10 36 o 73.79172 30.91963 139.0525       225.0413 557.1112       362.7346 -122.5471      286.9385 109.6240 41.35294 63.76591 29.98200 45.85809       51.07824 
1 1 1 26  11 0  o 308.9506 14.74063 2835.612       266.3184 3139.935       363.1353 2481.435       391.7527 323.7123 19.21396 286.0652 23.55915 37.64719       30.40082 
1 1 1 26  11 1  o 440.8838 18.06377 5802.486       466.0819 0.000000       0.000000 5802.486       466.0819 ?        ?        440.8838 18.06377 0.000000       18.06377 
1 1 1 26  11 2  o 376.1822 16.42735 4214.007       361.5497 4190.751       436.4273 4264.884       645.5183 373.7800 19.98143 372.0492 29.83390 1.730804       35.90709 
1 1 1 26  11 3  o 239.0118 46.83061 1908.460       632.9594 0.000000       0.000000 1908.460       632.9594 ?        ?        239.0118 46.83061 0.000000       46.83061 
1 1 1 26  11 4  o 240.8715 21.72160 1755.876       303.5577 1662.351       350.2212 2038.367       608.6672 232.7240 26.10935 249.2755 43.19868 -16.55154      50.47598 
1 1 1 26  11 5  o 195.0399 27.24098 1178.311       303.1113 1222.637       348.6954 1041.244       613.1718 197.1834 31.18884 173.4999 54.26648 23.68350       62.59069 
1 1 1 26  11 6  o 120.6879 36.93496 464.2664       285.8483 279.0793       318.7270 1225.498       646.2074 103.7212 38.84034 186.6499 55.18413 -82.92873      67.48229 
1 1 1 26  11 7  o 205.8392 30.16409 1326.896       353.3377 1326.896       353.3377 0.000000       0.000000 205.8392 30.16409 ?        ?        0.000000       30.16409 
1 1 1 26  11 8  o 220.5300 31.12453 1527.780       391.3715 1527.780       391.3715 0.000000       0.000000 220.5300 31.12453 ?        ?        0.000000       31.12453 
1 1 1 26  11 9  f 208.7533 32.89907 1384.914       389.4599 1384.914       389.4599 0.000000       0.000000 208.7533 32.89907 ?        ?        0.000000       32.89907 
1 1 1 26  11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  11 11 o 476.7399 17.00355 6794.949       474.6523 6794.949       474.6523 0.000000       0.000000 476.7399 17.00355 ?        ?        0.000000       17.00355 
1 1 1 26  11 12 o 269.9164 21.72988 2215.098       341.0785 2215.098       341.0785 0.000000       0.000000 269.9164 21.72988 ?        ?        0.000000       21.72988 
1 1 1 26  11 13 o 261.2302 40.96496 2261.876       606.9848 2261.876       606.9848 0.000000       0.000000 261.2302 40.96496 ?        ?        0.000000       40.96496 
1 1 1 26  11 14 o 227.1142 26.48803 1604.305       346.1974 1604.305       346.1974 0.000000       0.000000 227.1142 26.48803 ?        ?        0.000000       26.48803 
1 1 1 26  11 15 o 282.1532 21.68081 2425.998       356.0168 2425.998       356.0168 0.000000       0.000000 282.1532 21.68081 ?        ?        0.000000       21.68081 
1 1 1 26  11 16 o 186.3670 30.77942 1113.378       324.6850 1113.378       324.6850 0.000000       0.000000 186.3670 30.77942 ?        ?        0.000000       30.77942 
1 1 1 26  11 17 f 218.2441 21.81412 1462.888       275.4726 1655.399       348.6909 1143.222       449.3243 230.0133 26.32211 181.4280 42.90649 48.58531       50.33706 
1 1 1 26  11 18 o 77.52343 32.78897 56.53834       256.8664 159.2995       313.4305 -153.6466      448.2576 91.16862 37.17349 86.87531 39.64383 4.293312       54.34613 
1 1 1 26  11 19 f 86.47288 34.69711 158.0196       268.1636 -68.54925      341.0758 524.8043       433.9667 79.18021 35.49960 125.3017 45.60147 -46.12150      57.79027 
1 1 1 26  11 20 o 65.79794 29.57649 -68.43554      238.4594 -91.61764      310.6646 -35.18928      372.0377 73.87679 33.43230 83.51498 37.28571 -9.638191      50.07936 
1 1 1 26  11 21 o 75.48710 31.37404 87.98865       228.9455 288.4413       288.1999 -254.8918      376.9288 98.06100 36.88869 73.57295 34.52053 24.48804       50.52170 
1 1 1 26  11 22 o 60.01123 27.48331 -103.3140      217.9821 -203.0369      273.3475 70.87694       361.2689 62.75506 29.42959 86.71978 37.80006 -23.96472      47.90559 
1 1 1 26  11 23 o 190.8427 20.41305 1141.354       224.9280 1272.586       298.2804 968.3563       342.4710 197.5760 26.40213 164.6749 36.42727 32.90106       44.98909 
1 1 1 26  11 24 o 77.73407 30.82002 148.6040       209.0831 86.95252       280.1822 226.0811       314.0908 79.34379 33.92504 92.16202 37.34774 -12.81823      50.45554 
1 1 1 26  11 25 o 65.34583 28.17851 28.90494       196.4099 200.6876       272.4732 -156.9038      283.3787 87.03921 34.95739 65.35022 30.42136 21.68899       46.34089 
1 1 1 26  11 26 o 58.19950 26.02348 -33.50749      181.9711 -261.9124      254.2701 206.2938       260.5363 56.60256 27.07319 86.13503 34.32148 -29.53247      43.71409 
1 1 1 26  11 27 o 122.7041 27.38991 517.2990       192.1080 354.9935       269.2623 685.5719       274.1676 99.64404 35.96841 136.4013 34.30932 -36.75726      49.70771 
1 1 1 26  11 28 o 95.44489 33.26628 324.1531       228.5634 320.3117       338.6837 327.3658       309.7284 97.37241 39.01978 97.13306 37.81016 0.2393494      54.33370 
1 1 1 26  11 29 o 56.74654 26.80436 -177.2312      234.1378 10.11766       343.0792 -340.5598      320.3318 77.72265 35.15680 61.02658 29.49278 16.69606       45.88927 
1 1 1 26  11 30 o 120.7269 31.51485 537.8216       225.4876 801.4693       330.1498 307.3125       308.7046 140.7386 38.76680 93.96271 37.38622 46.77589       53.85717 
1 1 1 26  11 31 o 62.09722 27.92431 -19.49690      212.8038 -9.156830      320.8504 -27.61793      284.3456 73.78349 33.61971 69.50361 31.66178 4.279877       46.18174 
1 1 1 26  11 32 o 149.0412 27.20281 779.9055       229.0187 997.7391       325.4110 566.1205       322.3729 159.9046 35.61312 115.0737 39.53719 44.83094       53.21169 
1 1 1 26  11 33 o 53.67174 25.69872 -215.2885      230.4357 -130.5923      338.5019 -288.4374      314.5818 69.11402 32.51784 60.93151 29.39246 8.182510       43.83294 
1 1 1 26  11 34 o 203.9149 21.31490 1373.252       251.1470 999.5687       390.6179 1636.582       327.9067 148.3554 42.63601 216.6634 26.34655 -68.30800      50.11956 
1 1 1 26  11 35 o 55.47667 26.44907 -190.2257      238.5751 -57.28871      429.6545 -249.4849      286.8630 77.82898 36.62354 58.85321 28.30817 18.97577       46.28861 
1 1 1 26  12 0  o 233.4871 16.63216 1629.793       226.2607 1751.153       288.2959 1435.158       365.1000 240.8662 20.60631 214.4963 29.82896 26.36993       36.25447 
1 1 1 26  12 1  o 117.6677 30.46495 441.4608       211.8701 450.0955       260.6199 424.6333       363.8265 118.7613 35.02810 119.3357 41.94355 -0.5744095     54.64640 
1 1 1 26  12 2  o 156.0814 26.94608 760.4565       237.7462 1158.688       309.8638 190.4896       370.7047 192.9804 28.21190 100.9690 40.69674 92.01144       49.51904 
1 1 1 26  12 3  o 71.56196 31.54161 -49.30225      257.8773 61.27974       284.4260 -560.0716      611.2791 82.72365 34.71785 91.20665 43.15002 -8.483002      55.38279 
1 1 1 26  12 4  o 56.29232 27.05937 -361.4305      261.1618 -197.3373      289.9160 -1067.742      601.4851 67.81511 31.28933 77.91259 38.25125 -10.09748      49.41842 
1 1 1 26  12 5  o 243.7408 21.94530 1801.252       310.3485 1815.004       350.8328 1751.769       665.4976 243.5424 24.91331 225.0389 51.53588 18.50348       57.24177 
1 1 1 26  12 6  o 327.6848 18.67896 3220.023       357.4841 3624.361       421.5903 2185.408       674.3850 346.7957 20.82436 255.0549 46.80857 91.74077       51.23179 
1 1 1 26  12 7  o 100.1406 38.00228 251.6231       307.4075 251.6231       307.4075 0.000000       0.000000 100.1406 38.00228 ?        ?        0.000000       38.00228 
1 1 1 26  12 8  o 131.9280 39.57612 570.5419       330.4753 570.5419       330.4753 0.000000       0.000000 131.9280 39.57612 ?        ?        0.000000       39.57612 
1 1 1 26  12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  12 10 o 427.3268 17.38807 5466.912       434.8644 5466.912       434.8644 0.000000       0.000000 427.3268 17.38807 ?        ?        0.000000       17.38807 
1 1 1 26  12 11 o 281.8194 25.01181 2441.391       409.1072 2441.391       409.1072 0.000000       0.000000 281.8194 25.01181 ?        ?        0.000000       25.01181 
1 1 1 26  12 12 o 141.6912 37.66515 668.1486       318.3401 668.1486       318.3401 0.000000       0.000000 141.6912 37.66515 ?        ?        0.000000       37.66515 
1 1 1 26  12 13 o 115.5885 40.10131 415.7013       331.9422 415.7013       331.9422 0.000000       0.000000 115.5885 40.10131 ?        ?        0.000000       40.10131 
1 1 1 26  12 14 o 59.17926 28.55648 -418.7387      297.5256 -418.7387      297.5256 0.000000       0.000000 59.17926 28.55648 ?        ?        0.000000       28.55648 
1 1 1 26  12 15 o 120.1446 39.53712 469.8167       322.5430 469.8167       322.5430 0.000000       0.000000 120.1446 39.53712 ?        ?        0.000000       39.53712 
1 1 1 26  12 16 o 210.3262 27.85904 1396.412       335.2022 1396.412       335.2022 0.000000       0.000000 210.3262 27.85904 ?        ?        0.000000       27.85904 
1 1 1 26  12 17 o 246.6717 19.52057 1852.587       280.0977 1847.057       354.7960 1861.735       456.3336 243.3620 25.22385 239.1710 33.44616 4.190948       41.89138 
1 1 1 26  12 18 o 253.8245 17.89222 1953.648       264.6406 2201.073       329.9348 1507.297       443.1432 267.7609 21.18266 211.7220 37.03656 56.03888       42.66629 
1 1 1 26  12 19 o 133.4192 32.98046 600.6115       256.5755 654.5652       321.2344 505.5428       426.4129 136.8449 38.44566 122.6122 45.10961 14.23269       59.27011 
1 1 1 26  12 20 o 165.6809 24.70313 875.7884       232.7098 517.6057       294.8306 1467.679       379.0016 121.6809 37.56060 210.3593 31.70459 -88.67836      49.15262 
1 1 1 26  12 21 o 160.1689 25.80404 830.9952       234.1569 851.3470       293.9886 795.6826       387.2532 157.7831 32.83987 145.6696 42.62671 12.11349       53.80980 
1 1 1 26  12 22 o 255.4117 16.40860 1991.355       244.4890 1928.703       311.1980 2092.382       395.1743 247.8078 21.62924 253.6616 26.97667 -5.853790      34.57693 
1 1 1 26  12 23 o 144.7870 26.34592 692.4826       215.4752 766.3313       280.3480 585.8849       336.8217 147.9267 33.13878 124.9196 40.35588 23.00713       52.21854 
1 1 1 26  12 24 o 75.83496 30.63670 129.1914       210.6187 -0.3732261     285.0371 285.0100       312.5848 73.97343 32.85472 96.41963 37.85192 -22.44620      50.12186 
1 1 1 26  12 25 o 122.3674 28.40531 513.0721       199.9206 636.2080       270.6526 365.2101       296.5844 132.4077 34.50888 102.3432 37.62619 30.06452       51.05480 
1 1 1 26  12 26 o 104.3774 29.81151 382.5441       191.5435 229.9441       270.2580 536.5650       271.5133 88.38953 35.04142 119.8087 35.85650 -31.41915      50.13572 
1 1 1 26  12 27 o 146.4729 26.68797 728.7242       220.8135 840.7248       334.4292 642.1578       294.0147 147.0493 38.37712 129.1751 36.94785 17.87424       53.27239 
1 1 1 26  12 28 o 103.0668 32.43088 388.5111       218.6682 405.3412       295.6688 368.1915       324.8780 103.6516 37.65237 100.5345 38.83634 3.117096       54.09217 
1 1 1 26  12 29 o 255.4364 18.15629 2054.473       270.2217 1669.158       392.0353 2403.240       372.9788 215.5703 31.97668 269.8990 23.80689 -54.32870      39.86573 
1 1 1 26  12 30 o 64.36166 29.05739 -24.64630      233.0469 237.5526       343.4841 -248.3017      317.2349 89.75478 37.93712 63.34959 30.28395 26.40519       48.54218 
1 1 1 26  12 31 o 90.62433 32.68029 298.7906       222.2155 43.87547       341.9030 485.2246       292.3935 77.82074 35.15882 108.9841 37.64539 -31.16335      51.51037 
1 1 1 26  12 32 o 62.58838 28.45290 -35.11382      228.1492 -130.5872      340.1740 42.94308       307.5852 69.40092 32.63573 74.76358 33.60006 -5.362656      46.84074 
1 1 1 26  12 33 o 63.42060 28.51027 -5.193528      221.6288 269.9429       323.6613 -248.0974      304.1123 89.25636 37.21673 61.04845 29.30769 28.20792       47.37115 
1 1 1 26  12 34 o 57.28877 26.97768 -138.0731      233.8919 287.2197       390.1114 -376.7421      292.2420 91.60336 39.60781 55.23571 27.02319 36.36765       47.94822 
1 1 1 26  12 35 o 101.6209 33.13287 408.5943       226.7451 -17.25782      370.5496 663.4968       286.6843 75.39331 34.99094 126.1203 36.61115 -50.72701      50.64328 
1 1 1 26  13 0  o 204.5997 22.30305 1274.835       263.2931 1396.056       291.6937 741.6876       611.7327 213.7253 23.66745 151.4299 54.27042 62.29543       59.20664 
1 1 1 26  13 1  o 505.7149 13.48026 7580.272       399.4543 7947.098       609.0781 7303.411       529.1453 514.4128 20.22824 494.1774 18.28906 20.23541       27.27034 
1 1 1 26  13 2  o 239.7832 17.23166 1722.208       240.7082 1850.079       302.5684 1501.751       397.2813 247.3179 21.06030 218.2747 31.98311 29.04321       38.29433 
1 1 1 26  13 3  o 287.2373 18.17159 2473.504       304.5457 2656.449       349.2886 1893.498       621.9288 296.9664 20.17497 237.2687 46.35704 59.69775       50.55695 
1 1 1 26  13 4  o 172.6050 27.18668 929.4005       266.1132 978.4931       292.9782 697.9388       636.1606 176.3691 29.35593 148.8145 55.03675 27.55464       62.37640 
1 1 1 26  13 5  o 226.6853 22.00572 1562.492       288.8797 1599.267       325.4919 1426.057       626.9445 228.3276 24.69976 201.2055 52.56239 27.12213       58.07653 
1 1 1 26  13 6  f 179.6471 31.36376 1025.978       318.4286 1025.978       318.4286 0.000000       0.000000 179.6471 31.36376 ?        ?        0.000000       31.36376 
1 1 1 26  13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  13 8  o 237.1260 25.93420 1736.888       354.7892 1736.888       354.7892 0.000000       0.000000 237.1260 25.93420 ?        ?        0.000000       25.93420 
1 1 1 26  13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  13 10 o 509.9494 16.13878 7765.740       482.0600 7765.740       482.0600 0.000000       0.000000 509.9494 16.13878 ?        ?        0.000000       16.13878 
1 1 1 26  13 11 o 269.7419 21.84589 2216.418       342.6410 2216.418       342.6410 0.000000       0.000000 269.7419 21.84589 ?        ?        0.000000       21.84589 
1 1 1 26  13 12 o 471.2460 22.09502 6749.181       608.9501 6749.181       608.9501 0.000000       0.000000 471.2460 22.09502 ?        ?        0.000000       22.09502 
1 1 1 26  13 13 o 116.2379 49.51824 203.1046       593.0589 203.1046       593.0589 0.000000       0.000000 116.2379 49.51824 ?        ?        0.000000       49.51824 
1 1 1 26  13 14 o 212.4972 26.68625 1412.797       325.2603 1412.797       325.2603 0.000000       0.000000 212.4972 26.68625 ?        ?        0.000000       26.68625 
1 1 1 26  13 15 o 168.6604 35.09959 942.0005       335.8766 942.0005       335.8766 0.000000       0.000000 168.6604 35.09959 ?        ?        0.000000       35.09959 
1 1 1 26  13 16 o 225.1462 25.97568 1588.283       336.7095 1588.283       336.7095 0.000000       0.000000 225.1462 25.97568 ?        ?        0.000000       25.97568 
1 1 1 26  13 17 o 68.52298 30.72713 -71.59742      255.6605 -109.8921      317.3058 -0.7316485     431.6451 74.41536 33.72071 91.97973 40.66253 -17.56437      52.82544 
1 1 1 26  13 18 o 58.30609 27.52236 -232.6194      246.0793 -270.2773      294.5417 -145.5816      447.7885 63.61801 30.05423 86.18613 39.44062 -22.56812      49.58648 
1 1 1 26  13 19 o 86.69470 33.68568 192.5347       245.4924 175.1303       304.2404 225.0126       415.6066 90.00838 36.65295 101.4625 42.22898 -11.45411      55.91713 
1 1 1 26  13 20 o 94.55053 32.98929 285.4271       224.8057 347.2281       286.4663 186.3552       362.7029 103.2299 37.12072 94.48890 39.39791 8.741005       54.13079 
1 1 1 26  13 21 o 98.54252 33.20967 324.3330       227.2955 251.3402       280.3748 464.2772       388.2184 93.23395 36.06168 114.9979 42.90563 -21.76394      56.04764 
1 1 1 26  13 22 o 64.09335 28.86366 -55.29574      228.2928 -177.9623      288.8456 148.8638       372.6383 65.51474 30.56972 91.30843 39.08437 -25.79369      49.61951 
1 1 1 26  13 23 o 105.4650 31.96448 388.1314       214.7836 522.9909       283.6910 207.0079       328.7701 119.4982 36.83672 91.50575 37.77403 27.99249       52.76193 
1 1 1 26  13 24 o 68.01118 28.99952 50.85415       203.7234 -248.0708      273.1914 425.3251       305.7701 59.95383 28.50412 108.4273 38.42135 -48.47350      47.84021 
1 1 1 26  13 25 o 60.71938 26.89474 -14.38973      189.7178 -162.0577      261.0807 150.8245       276.1566 61.87656 28.93481 82.62628 34.40878 -20.74973      44.95762 
1 1 1 26  13 26 o 80.82571 29.73111 204.9985       185.2185 227.1946       258.3771 181.5350       265.6514 87.03476 34.33847 83.58487 34.16921 3.449890       48.44239 
1 1 1 26  13 27 o 94.20326 31.51395 314.3722       204.7050 442.4472       281.9642 171.6350       297.6668 107.7054 36.97733 84.42019 35.47872 23.28519       51.24512 
1 1 1 26  13 28 o 188.9908 20.66788 1149.494       225.3493 942.4209       297.8380 1426.767       344.6452 160.8020 32.69696 201.5276 30.07948 -40.72559      44.42822 
1 1 1 26  13 29 o 100.2452 32.58113 373.4770       219.3474 468.0926       293.6119 253.9782       329.9697 108.4905 37.71069 90.67412 37.67393 17.81636       53.30499 
1 1 1 26  13 30 o 99.94550 31.86113 373.2722       210.4469 289.8281       289.4155 466.8936       306.5573 91.26583 36.23629 107.1048 38.41431 -15.83893      52.80841 
1 1 1 26  13 31 o 55.64209 26.29259 -159.7522      225.6771 -190.7265      347.7477 -137.2157      296.6250 67.85331 32.23095 65.03406 30.54860 2.819252       44.40778 
1 1 1 26  13 32 o 120.0643 31.84504 547.7580       227.8802 672.0325       323.0651 424.6976       321.4831 125.0010 39.43116 101.6456 38.79362 23.35534       55.31511 
1 1 1 26  13 33 o 62.07476 28.13907 -23.17153      221.2019 -754.9003      348.7598 469.2929       286.1138 52.25270 26.21295 105.8358 37.19552 -53.58315      45.50413 
1 1 1 26  13 34 o 102.7249 34.26463 424.1085       242.0270 489.2571       412.6956 389.9561       298.8053 103.8318 42.53384 97.62704 37.36570 6.204781       56.61557 
1 1 1 26  13 35 o 113.9619 32.93246 515.6351       232.4475 222.0083       386.3267 682.2576       291.0206 87.08138 38.48422 127.1343 36.88157 -40.05293      53.30371 
1 1 1 26  14 0  f 152.8462 23.95786 723.2093       207.7081 1005.322       250.2546 98.56125       372.3819 180.6351 24.23349 94.48125 39.69315 86.15385       46.50600 
1 1 1 26  14 1  o 268.5089 15.34500 2150.132       240.6379 2255.601       307.3927 1983.189       386.7354 273.7365 19.27056 253.7221 26.37435 20.01437       32.66437 
1 1 1 26  14 2  o 155.0930 23.81809 744.0521       209.7302 603.2587       254.5913 1041.366       369.9647 136.7328 32.27111 178.8135 36.51456 -42.08070      48.73128 
1 1 1 26  14 3  o 200.9058 53.94743 1440.698       648.9884 0.000000       0.000000 1440.698       648.9884 ?        ?        200.9058 53.94743 0.000000       53.94743 
1 1 1 26  14 4  o 77.16998 31.55823 85.43739       226.7053 -59.73892      242.6396 1083.125       636.0790 68.37719 30.34419 174.1550 55.37745 -105.7778      63.14612 
1 1 1 26  14 5  o 312.0745 17.62367 2920.267       321.2452 3235.257       372.3376 2002.955       635.3991 327.7449 19.45851 242.7936 46.31250 84.95126       50.23426 
1 1 1 26  14 6  f 281.9031 21.83931 2414.586       358.2542 2414.586       358.2542 0.000000       0.000000 281.9031 21.83931 ?        ?        0.000000       21.83931 
1 1 1 26  14 7  o 239.0908 23.34822 1750.475       323.2240 1750.475       323.2240 0.000000       0.000000 239.0908 23.34822 ?        ?        0.000000       23.34822 
1 1 1 26  14 8  o 164.6110 32.95673 876.6743       307.0584 876.6743       307.0584 0.000000       0.000000 164.6110 32.95673 ?        ?        0.000000       32.95673 
1 1 1 26  14 9  f 246.0907 46.51464 2078.139       646.7377 2078.139       646.7377 0.000000       0.000000 246.0907 46.51464 ?        ?        0.000000       46.51464 
1 1 1 26  14 10 o 245.6904 25.87349 1870.076       367.2253 1870.076       367.2253 0.000000       0.000000 245.6904 25.87349 ?        ?        0.000000       25.87349 
1 1 1 26  14 11 o 253.2470 22.04938 1958.918       324.2233 1958.918       324.2233 0.000000       0.000000 253.2470 22.04938 ?        ?        0.000000       22.04938 
1 1 1 26  14 12 o 199.4675 26.99519 1247.145       307.6994 1247.145       307.6994 0.000000       0.000000 199.4675 26.99519 ?        ?        0.000000       26.99519 
1 1 1 26  14 13 o 182.5842 31.72548 1075.335       327.3985 1075.335       327.3985 0.000000       0.000000 182.5842 31.72548 ?        ?        0.000000       31.72548 
1 1 1 26  14 14 o 215.0747 28.56664 1464.710       351.4267 1464.710       351.4267 0.000000       0.000000 215.0747 28.56664 ?        ?        0.000000       28.56664 
1 1 1 26  14 15 o 155.9165 34.87572 811.3867       310.9113 811.3867       310.9113 0.000000       0.000000 155.9165 34.87572 ?        ?        0.000000       34.87572 
1 1 1 26  14 16 o 84.79967 36.07025 72.51884       313.8416 72.51884       313.8416 0.000000       0.000000 84.79967 36.07025 ?        ?        0.000000       36.07025 
1 1 1 26  14 17 o 250.3072 18.52658 1909.217       270.0409 1886.296       331.1368 1954.725       466.5836 246.1978 23.20742 243.3811 33.58238 2.816635       40.82108 
1 1 1 26  14 18 o 169.4406 25.30275 916.5379       243.7484 823.8570       291.2418 1133.256       445.3547 156.3383 32.81179 176.1408 43.39819 -19.80244      54.40604 
1 1 1 26  14 19 o 237.9569 17.94828 1733.889       248.6326 1661.641       302.9841 1882.856       435.0641 230.0107 22.75862 237.7004 32.02229 -7.689697      39.28590 
1 1 1 26  14 20 o 77.49536 31.83184 114.4667       231.9469 143.3990       279.0179 49.75028       417.2999 84.27699 34.79520 90.05373 39.88777 -5.776741      52.93147 
1 1 1 26  14 21 o 59.20974 27.41664 -132.6514      225.5200 9.608271       273.4698 -435.0450      398.7079 73.88583 32.52678 68.66876 33.11612 5.217064       46.41841 
1 1 1 26  14 22 o 272.2242 15.31949 2256.808       243.5934 2157.896       299.0968 2451.661       419.7993 263.1658 19.51796 274.0860 26.44379 -10.92023      32.86677 
1 1 1 26  14 23 f 83.83580 31.30077 211.8916       206.6841 131.9868       274.0189 317.3477       314.7962 81.68097 34.16464 98.99353 38.23223 -17.31256      51.27305 
1 1 1 26  14 24 o 94.59477 30.86718 307.6585       196.7748 257.5168       257.2676 378.3454       305.4602 90.70411 34.68247 103.4293 38.15747 -12.72523      51.56420 
1 1 1 26  14 25 o 82.72791 29.64057 220.2415       182.4639 64.10761       254.0094 386.7019       262.2749 73.92992 31.96321 103.1432 35.65261 -29.21328      47.88273 
1 1 1 26  14 26 o 89.10520 30.29973 273.5584       189.2300 327.7584       261.5741 214.0487       274.0873 96.22129 35.34238 86.35109 34.92623 9.870201       49.68828 
1 1 1 26  14 27 o 73.72993 30.89751 108.8169       224.7613 90.02008       336.4550 123.9653       302.0433 81.65333 36.00721 81.19322 34.97748 0.4601059      50.19904 
1 1 1 26  14 28 o 109.6271 31.45492 442.5014       212.7705 324.4532       285.9315 588.9758       318.5027 95.23165 36.52599 120.0346 39.27715 -24.80292      53.63621 
1 1 1 26  14 29 o 145.9951 25.66563 729.9263       211.7384 816.6674       289.5680 630.2535       310.4032 146.5262 34.30505 123.7286 38.59694 22.79759       51.63874 
1 1 1 26  14 30 o 43.95500 21.64009 -343.5416      196.9063 -298.9628      265.1199 -398.3831      294.0581 55.15048 26.69597 55.37990 27.09654 -0.2294159     38.03811 
1 1 1 26  14 31 o 104.9134 31.07452 414.8859       204.7536 464.1461       282.7045 360.5357       296.9513 106.5000 37.00449 96.42508 37.16124 10.07494       52.44320 
1 1 1 26  14 32 o 178.8194 21.82128 1061.099       224.1127 1305.366       356.9867 902.2054       287.9211 184.2378 34.30056 153.9278 32.89205 30.31001       47.52279 
1 1 1 26  14 33 o 82.08749 32.16486 228.6188       225.3517 177.9587       398.3433 252.4635       273.2875 86.00481 38.47630 85.78438 34.81033 0.2204285      51.88626 
1 1 1 26  14 34 o 64.74138 28.84045 21.48425       221.3156 343.1263       416.9131 -104.7152      261.1487 94.85301 40.97919 61.94224 28.95673 32.91077       50.17754 
1 1 1 26  15 0  o 240.5005 26.81726 1792.270       371.8237 0.000000       0.000000 1792.270       371.8237 ?        ?        240.5005 26.81726 0.000000       26.81726 
1 1 1 26  15 1  o 197.1079 17.84614 1171.307       204.0667 1028.180       241.5946 1527.680       381.2237 182.8892 23.03395 220.1825 30.32670 -37.29333      38.08243 
1 1 1 26  15 2  o 343.4289 13.64268 3505.281       274.2344 3736.456       362.4175 3195.614       419.4571 353.0637 17.55781 324.3326 22.18551 28.73108       28.29264 
1 1 1 26  15 3  o 285.7953 14.75837 2435.249       246.5305 2362.877       312.6947 2554.128       400.7618 279.9311 19.16222 288.9505 23.86148 -9.019409      30.60329 
1 1 1 26  15 4  o 65.10536 28.54757 -30.20624      208.7480 -38.16854      221.6573 32.23915       620.7450 66.54143 29.28904 111.3667 49.01695 -44.82529      57.10087 
1 1 1 26  15 5  o 139.7206 29.01253 623.8253       229.9522 694.8295       247.7720 182.7832       617.5183 147.3914 29.69113 117.7296 50.35178 29.66178       58.45395 
1 1 1 26  15 6  o 65.49891 29.92245 -138.5933      256.2937 -138.5933      256.2937 0.000000       0.000000 65.49891 29.92245 ?        ?        0.000000       29.92245 
1 1 1 26  15 7  o 96.93012 35.88506 254.6989       270.5748 254.6989       270.5748 0.000000       0.000000 96.93012 35.88506 ?        ?        0.000000       35.88506 
1 1 1 26  15 8  o 113.7547 38.45834 406.8131       304.8209 406.8131       304.8209 0.000000       0.000000 113.7547 38.45834 ?        ?        0.000000       38.45834 
1 1 1 26  15 9  o 475.9311 23.91594 6928.280       665.4080 6928.280       665.4080 0.000000       0.000000 475.9311 23.91594 ?        ?        0.000000       23.91594 
1 1 1 26  15 10 o 251.1776 20.62794 1918.782       301.1945 1918.782       301.1945 0.000000       0.000000 251.1776 20.62794 ?        ?        0.000000       20.62794 
1 1 1 26  15 11 o 321.9203 18.45587 3125.389       346.9840 3125.389       346.9840 0.000000       0.000000 321.9203 18.45587 ?        ?        0.000000       18.45587 
1 1 1 26  15 12 f 381.7426 22.18531 4449.049       494.5511 4449.049       494.5511 0.000000       0.000000 381.7426 22.18531 ?        ?        0.000000       22.18531 
1 1 1 26  15 13 o 342.3615 23.59588 3607.439       470.8768 3607.439       470.8768 0.000000       0.000000 342.3615 23.59588 ?        ?        0.000000       23.59588 
1 1 1 26  15 14 o 241.1810 24.17035 1806.357       337.2799 1806.357       337.2799 0.000000       0.000000 241.1810 24.17035 ?        ?        0.000000       24.17035 
1 1 1 26  15 15 o 142.6319 37.05784 695.1843       312.7597 695.1843       312.7597 0.000000       0.000000 142.6319 37.05784 ?        ?        0.000000       37.05784 
1 1 1 26  15 16 o 54.05575 26.46723 -488.0564      282.0400 -488.0564      282.0400 0.000000       0.000000 54.05575 26.46723 ?        ?        0.000000       26.46723 
1 1 1 26  15 17 f 171.0923 25.07679 932.7245       244.1575 1059.604       298.9568 678.5896       423.1024 180.0808 29.31414 135.9697 45.30285 44.11115       53.95987 
1 1 1 26  15 18 o 56.42724 26.61637 -208.3708      229.3903 -61.95253      268.6882 -601.9913      440.5446 69.80101 31.38395 69.24364 33.72322 0.5573730      46.06743 
1 1 1 26  15 19 o 219.5615 18.75200 1488.400       239.1559 1397.918       279.7763 1733.910       460.8550 210.0713 23.08894 222.8553 36.52487 -12.78397      43.21070 
1 1 1 26  15 20 o 57.62150 26.90777 -160.0797      224.5021 -63.69503      261.6461 -429.1033      437.1249 68.07142 30.75519 72.75448 34.98171 -4.683060      46.57898 
1 1 1 26  15 21 o 144.3307 28.16890 699.8526       229.8782 733.9807       272.7841 616.2316       426.9926 144.6827 32.89490 125.5356 45.29699 19.14713       55.98117 
1 1 1 26  15 22 o 117.2181 31.92194 484.5203       225.3278 512.2653       279.5194 433.0304       380.7856 118.1170 36.59140 110.1146 42.17221 8.002441       55.83392 
1 1 1 26  15 23 o 298.4178 13.27076 2692.581       231.6773 2605.294       296.7231 2828.892       370.8032 290.3200 17.50842 298.9569 21.28802 -8.636963      27.56310 
1 1 1 26  15 24 o 78.39767 30.45713 171.3746       200.6659 173.6949       259.2292 167.9054       316.9679 82.93286 33.81007 86.53416 36.50277 -3.601295      49.75513 
1 1 1 26  15 25 o 86.08994 29.64782 250.1897       181.3058 433.4923       245.9229 31.92432       268.3534 108.0380 34.44221 72.80307 32.12865 35.23492       47.10113 
1 1 1 26  15 26 o 71.46754 29.06195 118.2059       190.9520 365.9865       261.0920 -166.7446      279.9914 99.79153 35.48931 63.20658 29.68687 36.58495       46.26880 
1 1 1 26  15 27 o 97.64509 31.27975 345.9517       202.6468 463.7810       272.2805 199.6377       303.4120 109.3357 36.33984 86.04655 35.96759 23.28911       51.12975 
1 1 1 26  15 28 o 99.50668 31.20292 364.4893       202.5939 672.5954       274.5393 -3.902739      300.1992 132.0643 34.91896 72.55220 32.84550 59.51212       47.93913 
1 1 1 26  15 29 o 65.01537 28.09987 49.44138       196.1895 187.2269       262.8969 -123.7341      294.7317 81.66210 33.75106 65.74210 30.74262 15.92000       45.65351 
1 1 1 26  15 30 o 164.8055 21.62707 897.0285       203.9961 577.4528       269.7307 1324.095       311.8109 119.8268 35.70930 193.4856 28.31664 -73.65887      45.57396 
1 1 1 26  15 31 o 58.18958 26.66033 -58.51568      205.4137 161.1088       282.3183 -305.5776      299.4343 80.01995 34.12961 58.64452 28.38338 21.37543       44.38971 
1 1 1 26  15 32 o 57.52514 26.44579 -63.14160      204.4792 -465.2728      309.6644 247.7631       272.2833 54.67054 26.95819 85.49570 34.72677 -30.82516      43.96240 
1 1 1 26  15 33 o 86.27817 31.22468 273.7072       203.0870 254.0061       318.3109 287.2322       263.7409 87.14188 36.65940 88.33625 34.74173 -1.194366      50.50644 
1 1 1 26  15 34 o 152.6978 25.10421 812.9243       217.0115 619.1520       413.0742 886.7933       255.0430 111.7017 43.61225 155.6242 29.01083 -43.92257      52.37992 
1 1 1 26  16 0  o 153.3059 20.98932 721.6207       183.7658 727.3690       211.9904 704.2422       368.5980 152.7388 24.49308 144.4402 41.38729 8.298523       48.09178 
1 1 1 26  16 1  o 110.0433 28.76357 388.5589       187.6739 556.0504       218.8533 -76.86005      364.8199 131.6464 29.11911 82.91470 36.97633 48.73174       47.06561 
1 1 1 26  16 2  f 275.4846 14.50747 2263.333       233.5640 2476.594       290.6350 1874.456       392.4622 287.1951 17.33594 245.1450 27.78710 42.05011       32.75145 
1 1 1 26  16 3  o 405.2715 19.97601 4959.224       473.3311 0.000000       0.000000 4959.224       473.3311 ?        ?        405.2715 19.97601 0.000000       19.97601 
1 1 1 26  16 4  o 119.8420 30.66059 464.9420       216.3503 531.1075       230.2310 -34.67017      632.6513 127.9988 31.00171 109.0225 48.65122 18.97636       57.68923 
1 1 1 26  16 5  o 311.9761 18.56665 2932.580       338.1711 2932.580       338.1711 0.000000       0.000000 311.9761 18.56665 ?        ?        0.000000       18.56665 
1 1 1 26  16 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  16 7  o 78.87756 32.70064 79.74706       247.8341 79.74706       247.8341 0.000000       0.000000 78.87756 32.70064 ?        ?        0.000000       32.70064 
1 1 1 26  16 8  o 128.7825 32.61661 543.1407       246.5714 543.1407       246.5714 0.000000       0.000000 128.7825 32.61661 ?        ?        0.000000       32.61661 
1 1 1 26  16 9  o 116.2186 37.96479 436.1381       297.6323 436.1381       297.6323 0.000000       0.000000 116.2186 37.96479 ?        ?        0.000000       37.96479 
1 1 1 26  16 10 o 337.3906 17.37986 3423.421       342.7391 3423.421       342.7391 0.000000       0.000000 337.3906 17.37986 ?        ?        0.000000       17.37986 
1 1 1 26  16 11 o 92.58031 35.84793 209.3344       277.2858 209.3344       277.2858 0.000000       0.000000 92.58031 35.84793 ?        ?        0.000000       35.84793 
1 1 1 26  16 12 o 223.2938 24.86905 1553.152       320.1563 1553.152       320.1563 0.000000       0.000000 223.2938 24.86905 ?        ?        0.000000       24.86905 
1 1 1 26  16 13 o 124.6436 38.22715 525.2348       305.9915 525.2348       305.9915 0.000000       0.000000 124.6436 38.22715 ?        ?        0.000000       38.22715 
1 1 1 26  16 14 o 179.4677 28.68491 1035.793       291.7578 1035.793       291.7578 0.000000       0.000000 179.4677 28.68491 ?        ?        0.000000       28.68491 
1 1 1 26  16 15 o 136.1965 35.50085 634.9252       286.4122 634.9252       286.4122 0.000000       0.000000 136.1965 35.50085 ?        ?        0.000000       35.50085 
1 1 1 26  16 16 o 69.21389 31.18831 -73.98995      267.0026 -73.98995      267.0026 0.000000       0.000000 69.21389 31.18831 ?        ?        0.000000       31.18831 
1 1 1 26  16 17 o 116.9602 33.41617 470.2330       240.6266 579.0443       288.3943 220.9147       436.5427 128.1837 36.56997 101.7074 42.86723 26.47624       56.34681 
1 1 1 26  16 18 o 134.8542 30.29800 616.1589       233.7616 596.8903       271.1931 671.8655       461.1121 130.1705 34.83766 131.9555 47.13784 -1.784988      58.61432 
1 1 1 26  16 19 o 161.9845 24.75734 849.8019       227.7398 902.1066       265.8871 705.7380       441.2704 164.5205 28.59396 133.7053 46.24371 30.81523       54.36998 
1 1 1 26  16 20 o 100.3673 32.34663 346.3352       216.4771 220.9066       254.2437 676.9712       412.7878 88.10090 34.26716 130.9277 44.74680 -42.82684      56.36058 
1 1 1 26  16 21 o 216.3643 18.01374 1451.388       226.5092 1511.825       270.9835 1311.241       412.6493 218.4570 21.42607 188.6376 38.60128 29.81944       44.14901 
1 1 1 26  16 22 o 233.1010 16.61434 1673.045       225.6428 1675.274       277.9828 1668.739       386.3389 230.1969 20.81525 220.9388 30.63933 9.258087       37.04110 
1 1 1 26  16 23 o 56.76229 26.10300 -94.16005      199.4223 -98.15709      252.9620 -87.59705      324.1437 63.98241 29.41437 72.59875 33.34656 -8.616337      44.46569 
1 1 1 26  16 24 o 232.0144 16.05272 1662.000       217.0841 1584.997       273.6161 1792.812       356.6272 222.4583 21.22928 231.1553 26.80252 -8.697067      34.19148 
1 1 1 26  16 25 o 76.34178 29.37311 169.4179       185.3108 204.3034       257.8620 132.1591       266.4891 84.38726 33.96715 79.22170 33.44688 5.165558       47.67033 
1 1 1 26  16 26 o 152.2137 22.44158 760.9250       194.3319 912.7664       259.9185 568.4532       292.6348 162.0968 28.37400 119.8855 37.48775 42.21131       47.01505 
1 1 1 26  16 27 o 156.2478 22.96723 808.5841       204.1860 1143.651       275.2855 398.8012       304.4352 183.0670 26.40245 101.7715 37.99001 81.29546       46.26370 
1 1 1 26  16 28 o 157.9539 22.74828 828.9847       204.6633 882.3499       271.9856 759.3250       310.7473 155.8054 30.85731 137.2241 37.53556 18.58133       48.59107 
1 1 1 26  16 29 o 56.85180 25.93874 -53.24102      191.7936 -60.77396      259.9766 -44.24522      284.1002 64.83167 29.81014 68.18291 31.28154 -3.351242      43.21087 
1 1 1 26  16 30 o 81.21298 29.95088 225.7441       188.1699 312.1825       256.8708 125.6417       276.4290 91.60350 34.74399 77.27439 33.37639 14.32911       48.17809 
1 1 1 26  16 31 o 53.96001 25.17742 -105.7457      195.9079 -83.69479      273.1042 -129.1207      281.1835 64.53384 29.98134 63.26756 29.72638 1.266285       42.22012 
1 1 1 26  16 32 o 105.4298 31.12491 427.0676       205.6949 293.8956       301.3021 543.3099       281.4997 89.65694 36.48833 113.3697 36.91405 -23.71273      51.90420 
1 1 1 26  16 33 o 47.13316 22.86132 -247.6347      196.9698 13.27267       296.9153 -452.7019      263.2314 71.19132 32.40088 49.40668 24.45286 21.78464       40.59261 
1 1 1 26  17 0  o 119.6541 25.80079 455.0425       175.7222 503.3800       199.4695 287.5215       371.3377 125.3449 27.85693 106.5556 41.42209 18.78931       49.91791 
1 1 1 26  17 1  o 68.23482 27.44971 77.52932       168.2966 139.6573       189.6156 -153.0900      365.3241 77.65788 29.75493 78.96891 35.94045 -1.311035      46.65910 
1 1 1 26  17 2  o 187.6010 18.47899 1066.826       200.6758 1070.031       238.2274 1058.994       372.3814 186.5637 22.20820 178.9468 36.71460 7.616882       42.90881 
1 1 1 26  17 3  o 125.2627 25.97090 498.3504       184.5234 558.6663       214.7139 327.9644       360.8786 131.9149 28.58088 109.0349 41.22112 22.88000       50.16022 
1 1 1 26  17 4  o 60.01319 26.95226 -73.41015      197.5317 -77.77467      208.5586 -35.37944      615.6402 61.55243 27.66476 107.2444 47.91595 -45.69195      55.32882 
1 1 1 26  17 5  o 91.95415 32.22861 246.7565       214.7046 246.7565       214.7046 0.000000       0.000000 91.95415 32.22861 ?        ?        0.000000       32.22861 
1 1 1 26  17 6  o 190.2195 23.50015 1119.016       256.5968 1119.016       256.5968 0.000000       0.000000 190.2195 23.50015 ?        ?        0.000000       23.50015 
1 1 1 26  17 7  o 127.1035 32.62726 530.2498       244.4319 530.2498       244.4319 0.000000       0.000000 127.1035 32.62726 ?        ?        0.000000       32.62726 
1 1 1 26  17 8  o 265.8079 17.34376 2128.108       268.8954 2128.108       268.8954 0.000000       0.000000 265.8079 17.34376 ?        ?        0.000000       17.34376 
1 1 1 26  17 9  o 132.7877 32.83651 581.3954       254.2708 581.3954       254.2708 0.000000       0.000000 132.7877 32.83651 ?        ?        0.000000       32.83651 
1 1 1 26  17 10 o 231.1591 21.30088 1637.631       285.5293 1637.631       285.5293 0.000000       0.000000 231.1591 21.30088 ?        ?        0.000000       21.30088 
1 1 1 26  17 11 o 255.6111 20.85784 1999.362       309.9636 1999.362       309.9636 0.000000       0.000000 255.6111 20.85784 ?        ?        0.000000       20.85784 
1 1 1 26  17 12 o 70.54229 31.57909 -68.05704      268.7950 -68.05704      268.7950 0.000000       0.000000 70.54229 31.57909 ?        ?        0.000000       31.57909 
1 1 1 26  17 13 o 114.6661 46.83592 335.2482       498.6011 335.2482       498.6011 0.000000       0.000000 114.6661 46.83592 ?        ?        0.000000       46.83592 
1 1 1 26  17 14 o 85.65344 38.37237 -45.94304      397.6810 -45.94304      397.6810 0.000000       0.000000 85.65344 38.37237 ?        ?        0.000000       38.37237 
1 1 1 26  17 15 o 320.5686 16.83884 3118.257       315.4700 3118.257       315.4700 0.000000       0.000000 320.5686 16.83884 ?        ?        0.000000       16.83884 
1 1 1 26  17 16 o 267.8496 17.88377 2194.897       279.3222 2194.897       279.3222 0.000000       0.000000 267.8496 17.88377 ?        ?        0.000000       17.88377 
1 1 1 26  17 17 o 143.8814 33.80165 721.0778       280.3531 721.0778       280.3531 0.000000       0.000000 143.8814 33.80165 ?        ?        0.000000       33.80165 
1 1 1 26  17 18 o 105.3729 34.97275 384.9221       252.2014 384.9221       252.2014 0.000000       0.000000 105.3729 34.97275 ?        ?        0.000000       34.97275 
1 1 1 26  17 19 o 88.64378 34.37519 226.3004       255.2588 226.3004       255.2588 0.000000       0.000000 88.64378 34.37519 ?        ?        0.000000       34.37519 
1 1 1 26  17 20 o 82.09002 33.55209 155.3961       256.0856 155.3961       256.0856 0.000000       0.000000 82.09002 33.55209 ?        ?        0.000000       33.55209 
1 1 1 26  17 21 o 65.08546 29.71795 -82.66680      252.3713 -82.66680      252.3713 0.000000       0.000000 65.08546 29.71795 ?        ?        0.000000       29.71795 
1 1 1 26  17 22 f 67.79932 32.05002 -228.5327      335.9570 -228.5327      335.9570 0.000000       0.000000 67.79932 32.05002 ?        ?        0.000000       32.05002 
1 1 1 26  17 23 o 171.3466 25.06714 974.4203       244.4498 934.4499       335.9547 1019.393       356.3550 157.2689 37.03934 163.6535 37.87836 -6.384583      52.97814 
1 1 1 26  17 24 o 71.15540 30.07727 86.39238       215.9205 16.62766       302.8597 158.5073       307.9187 74.92641 33.53263 84.10591 35.74998 -9.179497      49.01529 
1 1 1 26  17 25 o 112.5623 28.79531 449.6774       190.8401 452.5889       251.7375 445.7432       292.6329 109.1961 34.85093 107.2154 37.62188 1.980721       51.28346 
1 1 1 26  17 26 o 48.53864 23.64866 -310.6805      217.2326 -359.4455      337.7772 -276.2844      283.6815 62.01503 30.04598 58.75621 28.23293 3.258812       41.22935 
1 1 1 26  17 27 o 174.9483 23.15824 1017.622       231.7804 818.3711       348.8809 1175.046       310.1081 139.4704 40.35863 181.1285 30.25952 -41.65810      50.44262 
1 1 1 26  17 28 o 117.5948 27.65404 493.2324       187.4970 303.6507       257.6920 706.5049       273.3192 91.39629 34.76806 134.9943 34.42168 -43.59804      48.92515 
1 1 1 26  17 29 o 63.88260 27.70199 46.24718       191.9485 -143.2536      272.0592 234.0769       270.8570 61.95668 29.15096 85.07658 34.60636 -23.11990      45.24797 
1 1 1 26  17 30 o 145.7897 23.14294 718.1694       191.2732 757.6589       271.9923 679.5340       269.0343 139.8801 33.58109 131.1112 34.52002 8.768906       48.15933 
1 1 1 26  17 31 o 60.16622 26.85066 1.853677       192.7308 -130.8750      273.3122 133.1360       271.8190 62.11323 29.22255 76.68720 33.10973 -14.57397      44.16121 
1 1 1 26  17 32 o 84.15697 30.98831 256.1533       201.2993 98.38688       285.1496 412.8851       284.2130 75.15690 33.14516 99.68698 36.80124 -24.53008      49.52709 
1 1 1 26  17 33 o 83.18749 30.72961 251.1560       198.2223 -50.52711      286.8525 526.8742       274.2306 66.78123 30.92195 111.2239 36.44830 -44.44265      47.79796 
1 1 1 26  18 0  o 66.97655 27.02993 72.75778       163.7583 137.2211       183.9380 -173.6210      359.5978 76.62997 29.31981 77.13580 35.31591 -0.5058289     45.90060 
1 1 1 26  18 1  o 216.5004 15.55378 1406.428       196.1740 1545.734       231.5080 1051.666       369.4454 226.3251 17.57920 178.0043 36.61192 48.32083       40.61356 
1 1 1 26  18 2  o 150.4514 20.85569 697.2040       179.0801 863.6784       206.2402 187.0633       361.0311 167.4928 21.49005 98.06375 39.92968 69.42905       45.34536 
1 1 1 26  18 3  o 63.09090 26.65837 24.95180       169.5179 75.38947       194.1318 -136.9759      347.8402 71.49287 29.21594 77.45145 35.17931 -5.958588      45.72915 
1 1 1 26  18 4  o 63.79245 27.02157 23.32175       174.8829 39.79099       189.8679 -68.83254      449.1305 67.58360 28.36489 91.47215 40.89365 -23.88855      49.76804 
1 1 1 26  18 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 26  18 6  o 46.14051 22.51337 -345.4779      198.9318 -345.4779      198.9318 0.000000       0.000000 46.14051 22.51337 ?        ?        0.000000       22.51337 
1 1 1 26  18 7  o 72.48610 30.16468 61.53541       212.0171 61.53541       212.0171 0.000000       0.000000 72.48610 30.16468 ?        ?        0.000000       30.16468 
1 1 1 26  18 8  o 152.1866 31.59265 757.4896       272.7379 757.4896       272.7379 0.000000       0.000000 152.1866 31.59265 ?        ?        0.000000       31.59265 
1 1 1 26  18 9  o 360.5854 15.47390 3898.362       326.4725 3898.362       326.4725 0.000000       0.000000 360.5854 15.47390 ?        ?        0.000000       15.47390 
1 1 1 26  18 10 o 179.4112 24.41603 1009.395       250.2463 1009.395       250.2463 0.000000       0.000000 179.4112 24.41603 ?        ?        0.000000       24.41603 
1 1 1 26  18 11 o 188.5625 48.36110 1314.523       537.3430 1314.523       537.3430 0.000000       0.000000 188.5625 48.36110 ?        ?        0.000000       48.36110 
1 1 1 26  18 12 o 132.2309 49.66599 606.9290       521.9898 606.9290       521.9898 0.000000       0.000000 132.2309 49.66599 ?        ?        0.000000       49.66599 
1 1 1 26  18 13 o 118.4717 34.61516 479.0490       255.5362 479.0490       255.5362 0.000000       0.000000 118.4717 34.61516 ?        ?        0.000000       34.61516 
1 1 1 26  18 14 f 142.2726 30.63715 678.2770       248.0704 678.2770       248.0704 0.000000       0.000000 142.2726 30.63715 ?        ?        0.000000       30.63715 
1 1 1 26  18 15 o 96.61385 34.10619 299.6926       240.7583 299.6926       240.7583 0.000000       0.000000 96.61385 34.10619 ?        ?        0.000000       34.10619 
1 1 1 26  18 16 o 133.2134 32.56659 615.0292       252.2622 615.0292       252.2622 0.000000       0.000000 133.2134 32.56659 ?        ?        0.000000       32.56659 
1 1 1 26  18 17 o 77.71587 32.63780 98.21833       251.6240 98.21833       251.6240 0.000000       0.000000 77.71587 32.63780 ?        ?        0.000000       32.63780 
1 1 1 26  18 18 o 237.2273 16.36063 1724.364       226.2285 1665.667       260.6375 1903.685       455.5581 231.1418 19.40585 233.6496 34.26274 -2.507751      39.37667 
1 1 1 26  18 19 o 65.68915 28.96138 -3.475936      217.5580 123.1341       253.7086 -355.2274      422.8819 79.22362 32.98532 72.80431 34.84722 6.419312       47.98292 
1 1 1 26  18 20 o 113.5074 30.87672 452.7596       210.9524 418.1112       250.1512 538.0659       392.5103 107.7698 34.77505 117.8474 43.29230 -10.07755      55.52952 
1 1 1 26  18 21 o 75.33089 30.12171 139.5524       201.3801 183.8004       238.8928 30.90299       374.3429 82.48981 32.86631 82.96568 37.19415 -0.4758682     49.63465 
1 1 1 26  18 22 o 60.42350 27.03927 -28.47186      196.8699 139.7700       236.7237 -405.8190      354.5236 77.98488 32.10861 63.29903 30.69493 14.68585       44.42006 
1 1 1 26  18 23 o 79.41102 30.48220 188.9668       199.2441 148.2570       239.2325 281.1368       359.9693 78.39898 32.27863 95.11276 39.41887 -16.71378      50.94857 
1 1 1 26  18 24 o 192.0497 17.51749 1157.173       195.1344 1175.636       246.9738 1126.499       318.3393 189.5753 22.66197 177.2264 31.79572 12.34898       39.04526 
1 1 1 26  18 25 o 62.94923 27.27920 33.75642       185.8840 417.1944       240.0713 -540.2507      293.7320 104.9568 34.08352 51.81489 25.67773 53.14194       42.67355 
1 1 1 26  18 26 o 109.0889 34.90054 463.1965       252.3377 463.1965       252.3377 0.000000       0.000000 109.0889 34.90054 ?        ?        0.000000       34.90054 
1 1 1 26  18 27 o 75.51145 34.28579 16.58846       330.0291 16.58846       330.0291 0.000000       0.000000 75.51145 34.28579 ?        ?        0.000000       34.28579 
1 1 1 26  18 28 o 97.03244 32.28272 357.8590       214.8656 534.2238       343.1306 244.0948       275.5856 110.6049 40.50291 86.08865 34.94809 24.51629       53.49631 
1 1 1 26  18 29 o 111.8804 28.40554 456.6229       186.6892 653.0675       264.7946 262.4652       263.2489 128.5809 34.42958 86.93365 34.54542 41.64721       48.77276 
1 1 1 26  18 30 o 104.8888 28.99685 408.8950       184.3362 415.3741       268.7401 403.1378       253.3238 100.7978 35.98833 100.0317 35.01117 0.7660599      50.20898 
1 1 1 26  18 31 o 98.47793 29.09011 362.9753       179.6348 597.6752       272.3301 182.2034       239.0038 119.9863 35.91058 78.25095 32.24510 41.73532       48.26299 
1 1 1 26  18 32 o 53.56944 24.59768 -59.29755      176.1678 -92.60576      275.1599 -36.16031      229.3324 63.78559 29.78724 61.82748 28.26782 1.958107       41.06518 
1 1 1 26  19 0  o 81.78438 27.64001 198.5943       157.4487 273.1246       177.1924 -81.04971      343.2269 93.19564 29.17511 79.54539 35.64132 13.65025       46.05964 
1 1 1 26  19 1  o 183.2439 17.05321 1015.583       181.1642 1021.794       206.2027 994.5680       379.3167 182.9594 19.51820 171.4399 38.65214 11.51955       43.30067 
1 1 1 26  19 2  o 161.4464 19.22989 797.0396       178.5029 908.5846       201.9031 397.7634       381.9921 172.0872 20.40171 115.0516 42.62992 57.03561       47.26034 
1 1 1 26  19 3  f 50.39253 23.20519 -107.4912      158.3518 -119.6141      176.3186 -56.93634      360.0615 53.03958 24.44655 82.64393 36.80268 -29.60435      44.18225 
1 1 1 26  19 4  o 101.1877 30.53874 329.1215       196.3427 524.2266       214.6460 -670.7397      485.9128 126.9702 29.40433 73.92303 35.86750 53.04722       46.37987 
1 1 1 26  19 5  o 146.0094 25.36740 674.7020       209.3452 674.7020       209.3452 0.000000       0.000000 146.0094 25.36740 ?        ?        0.000000       25.36740 
1 1 1 26  19 6  o 154.5081 23.98374 749.1519       210.2866 749.1519       210.2866 0.000000       0.000000 154.5081 23.98374 ?        ?        0.000000       23.98374 
1 1 1 26  19 7  o 132.5472 30.87610 577.8994       235.5382 577.8994       235.5382 0.000000       0.000000 132.5472 30.87610 ?        ?        0.000000       30.87610 
1 1 1 26  19 8  o 249.4832 17.18505 1882.551       249.9086 1882.551       249.9086 0.000000       0.000000 249.4832 17.18505 ?        ?        0.000000       17.18505 
1 1 1 26  19 9  o 185.7681 21.77551 1069.722       232.7433 1069.722       232.7433 0.000000       0.000000 185.7681 21.77551 ?        ?        0.000000       21.77551 
1 1 1 26  19 10 o 360.4768 27.98527 4126.068       587.0085 4126.068       587.0085 0.000000       0.000000 360.4768 27.98527 ?        ?        0.000000       27.98527 
1 1 1 26  19 11 o 97.31364 33.15954 301.2835       226.6527 301.2835       226.6527 0.000000       0.000000 97.31364 33.15954 ?        ?        0.000000       33.15954 
1 1 1 26  19 12 o 245.2767 19.56036 1851.339       279.0443 1851.339       279.0443 0.000000       0.000000 245.2767 19.56036 ?        ?        0.000000       19.56036 
1 1 1 26  19 13 o 270.0924 16.85051 2221.043       265.5871 2221.043       265.5871 0.000000       0.000000 270.0924 16.85051 ?        ?        0.000000       16.85051 
1 1 1 26  19 14 o 68.38569 29.72230 14.10656       222.0056 14.10656       222.0056 0.000000       0.000000 68.38569 29.72230 ?        ?        0.000000       29.72230 
1 1 1 26  19 15 o 81.93452 32.34051 169.2750       229.2758 169.2750       229.2758 0.000000       0.000000 81.93452 32.34051 ?        ?        0.000000       32.34051 
1 1 1 26  19 16 o 223.0615 20.20702 1556.727       261.4840 1556.727       261.4840 0.000000       0.000000 223.0615 20.20702 ?        ?        0.000000       20.20702 
1 1 1 26  19 17 o 154.4330 24.43718 776.7997       213.9734 827.9867       244.6978 610.4991       441.0595 157.5590 27.47987 124.4622 45.86271 33.09677       53.46524 
1 1 1 26  19 18 o 154.0827 24.30076 775.1592       212.3272 832.3591       242.3612 586.3256       440.3571 157.8666 27.15621 121.7801 45.64320 36.08650       53.11084 
1 1 1 26  19 19 o 92.42913 31.03897 289.9062       198.5611 501.0012       233.5018 -261.3940      377.3509 118.3707 32.60118 71.18835 33.74515 47.18233       46.92091 
1 1 1 26  19 20 o 106.1987 30.62124 398.4485       201.1729 305.1989       236.0913 645.6142       384.3710 94.43926 33.73000 125.9984 43.17588 -31.55916      54.78932 
1 1 1 26  19 21 o 109.2966 29.90383 423.3211       197.2029 404.3761       234.4653 469.1248       364.5705 105.2369 33.63912 110.1873 41.48099 -4.950378      53.40658 
1 1 1 26  19 22 o 70.67225 28.88397 110.7537       189.7725 2.645502       221.6348 407.7676       367.3644 65.49245 29.03589 104.2977 41.00762 -38.80527      50.24648 
1 1 1 26  19 23 f 108.3293 29.39666 419.7154       191.4874 537.6560       226.3149 122.5142       359.2583 121.3325 31.52294 84.85204 37.32046 36.48046       48.85194 
1 1 1 26  19 24 o 87.61201 29.63714 268.3951       181.0250 536.4120       230.5123 -162.8619      292.4025 120.2695 32.08757 64.34384 30.25761 55.92564       44.10368 
1 1 1 26  19 25 o 98.69451 28.91728 351.3481       178.1178 437.7701       226.2279 210.4027       288.9079 107.5295 32.84854 85.22683 35.31736 22.30271       48.23217 
1 1 1 26  19 26 o 154.1026 26.88271 827.2559       234.1280 827.2559       234.1280 0.000000       0.000000 154.1026 26.88271 ?        ?        0.000000       26.88271 
1 1 1 26  19 27 o 144.3811 23.07052 701.6197       188.7798 843.4674       236.0980 450.1759       314.3414 155.1284 26.92689 104.1210 38.65418 51.00741       47.10842 
1 1 1 26  19 28 o 127.2674 26.49223 571.8161       191.2974 713.2788       246.6426 358.2338       303.0608 138.1283 31.18709 95.76954 37.36625 42.35879       48.67105 
1 1 1 26  19 29 f 74.73141 29.74020 167.5246       195.3845 57.04177       258.4253 314.9523       298.5226 70.81698 31.37716 91.56303 36.65321 -20.74605      48.24918 
1 1 1 26  19 30 o 59.29642 28.09178 -160.5613      260.7776 -160.5613      260.7776 0.000000       0.000000 59.29642 28.09178 ?        ?        0.000000       28.09178 
1 1 1 26  19 31 o 46.29660 22.60924 -287.0263      201.8906 -761.1804      397.8209 -122.5482      234.3051 56.50524 28.29589 57.84147 27.16386 -1.336235      39.22414 
1 1 1 26  20 0  o 162.8734 18.47545 810.2927       173.3661 791.7925       195.0170 880.0082       378.5721 159.9443 21.32048 159.3300 40.44849 0.6143341      45.72355 
1 1 1 26  20 1  f 272.7544 13.54630 2221.839       216.0140 2322.070       257.9375 1986.456       395.2764 277.9155 15.89152 251.0195 27.28856 26.89600       31.57857 
1 1 1 26  20 2  o 300.7602 12.99136 2696.871       228.6126 2523.866       275.4196 3080.126       409.9307 289.5760 16.28302 316.5851 22.21959 -27.00916      27.54718 
1 1 1 26  20 3  o 229.9357 29.30075 1689.151       386.1624 0.000000       0.000000 1689.151       386.1624 ?        ?        229.9357 29.30075 0.000000       29.30075 
1 1 1 26  20 4  o 97.91162 29.08144 309.3103       179.1304 218.9096       192.2557 904.3911       493.2662 86.43266 30.48072 156.7735 48.61563 -70.34079      57.38078 
1 1 1 26  20 5  o 47.83694 22.91554 -236.2768      183.6913 -236.2768      183.6913 0.000000       0.000000 47.83694 22.91554 ?        ?        0.000000       22.91554 
1 1 1 26  20 6  o 89.86739 30.77719 246.5702       195.3039 246.5702       195.3039 0.000000       0.000000 89.86739 30.77719 ?        ?        0.000000       30.77719 
1 1 1 26  20 7  o 83.01392 30.19126 193.9881       190.1778 193.9881       190.1778 0.000000       0.000000 83.01392 30.19126 ?        ?        0.000000       30.19126 
1 1 1 26  20 8  o 234.5731 16.83787 1667.920       230.1003 1667.920       230.1003 0.000000       0.000000 234.5731 16.83787 ?        ?        0.000000       16.83787 
1 1 1 26  20 9  o 283.7478 33.53780 2669.621       547.3329 2669.621       547.3329 0.000000       0.000000 283.7478 33.53780 ?        ?        0.000000       33.53780 
1 1 1 26  20 10 o 150.0190 23.71560 715.8844       201.7285 715.8844       201.7285 0.000000       0.000000 150.0190 23.71560 ?        ?        0.000000       23.71560 
1 1 1 26  20 11 o 197.8070 44.56372 1457.150       504.5357 1457.150       504.5357 0.000000       0.000000 197.8070 44.56372 ?        ?        0.000000       44.56372 
1 1 1 26  20 12 o 108.0475 29.54985 393.8661       192.6077 393.8661       192.6077 0.000000       0.000000 108.0475 29.54985 ?        ?        0.000000       29.54985 
1 1 1 26  20 13 o 127.2940 28.26002 543.3016       205.4733 543.3016       205.4733 0.000000       0.000000 127.2940 28.26002 ?        ?        0.000000       28.26002 
1 1 1 26  20 14 o 54.33741 25.20821 -125.3619      192.0146 -125.3619      192.0146 0.000000       0.000000 54.33741 25.20821 ?        ?        0.000000       25.20821 
1 1 1 26  20 15 o 125.6148 30.32521 544.0341       220.8473 544.0341       220.8473 0.000000       0.000000 125.6148 30.32521 ?        ?        0.000000       30.32521 
1 1 1 26  20 16 o 127.7188 30.68861 566.8879       226.9983 566.8879       226.9983 0.000000       0.000000 127.7188 30.68861 ?        ?        0.000000       30.68861 
1 1 1 26  20 17 o 63.29271 27.61680 9.998209       193.2617 213.7814       219.4570 -694.0208      407.9034 84.61581 32.10943 62.03996 30.65692 22.57585       44.39439 
1 1 1 26  20 18 o 116.1241 28.94894 466.8448       196.4563 542.0231       224.4628 220.7138       406.1450 124.0664 30.95216 95.72211 40.88436 28.34425       51.27930 
1 1 1 26  20 19 o 55.41045 25.51659 -95.20010      191.4871 -169.5813      224.3391 104.4500       367.5429 56.31303 26.48798 86.10040 37.81296 -29.78736      46.16745 
1 1 1 26  20 20 o 70.48695 28.84195 106.0339       189.4953 39.18010       220.1068 297.4933       372.4850 68.22045 29.62318 97.41528 40.20961 -29.19482      49.94342 
1 1 1 26  20 21 o 60.67733 26.55598 11.29725       179.8835 47.35541       207.3220 -98.52349      361.8145 67.02264 28.92643 74.55605 34.59330 -7.533409      45.09362 
1 1 1 26  20 22 o 69.17008 28.14902 108.4209       179.3044 102.9347       210.0834 123.1377       344.0838 71.69751 29.94630 83.82378 36.70612 -12.12627      47.37215 
1 1 1 26  20 23 o 59.65996 26.49820 -7.503816      185.4245 -0.7696339     221.8168 -23.12656      337.8552 64.80309 28.87019 75.16319 34.34423 -10.36009      44.86662 
1 1 1 26  20 24 o 52.92652 24.32974 -74.95919      173.0179 171.6253       218.2647 -491.8943      283.8147 77.89162 31.28601 51.69019 25.54803 26.20143       40.39203 
1 1 1 26  20 25 o 75.76743 28.68652 180.4120       174.9249 286.2803       216.9299 -16.39606      295.7725 89.15989 32.27080 70.91640 32.30008 18.24348       45.65852 
1 1 1 26  20 26 o 87.01293 32.81898 268.9077       228.4509 472.3738       334.7283 91.49290       312.5657 105.6275 39.75077 77.76939 34.48006 27.85810       52.62127 
1 1 1 26  20 27 o 63.59914 28.71833 -13.82961      227.7601 -374.3950      335.5757 294.1276       310.1300 60.21236 29.34878 90.71996 36.98226 -30.50760      47.21270 
1 1 1 26  20 28 o 102.6716 28.39781 387.9807       176.7504 350.2408       218.8136 458.8409       299.8301 95.34208 32.57900 104.2444 37.90928 -8.902306      49.98504 
1 1 1 26  20 29 o 100.7836 30.02570 385.5616       190.7228 447.0979       240.7084 281.7658       312.6190 105.1388 34.12767 88.71935 36.74894 16.41942       50.15159 
1 1 1 26  20 30 o 121.5560 27.01170 533.1118       187.5677 489.2314       252.8925 586.7659       279.6416 108.9890 34.94607 117.7248 36.62056 -8.735817      50.61910 
1 1 1 26  20 31 o 70.59551 28.93302 135.2674       191.0804 -210.9878      262.3355 526.5734       278.8798 57.06473 27.34904 110.5390 36.77867 -53.47431      45.83274 
1 1 1 26  21 0  o 183.3853 16.48873 1019.541       175.4467 1100.239       198.1090 726.1152       377.7635 189.9789 17.99520 143.0123 42.16951 46.96657       45.84861 
1 1 1 26  21 1  o 53.23477 23.71215 -42.80889      149.5667 -34.96263      163.7136 -82.41277      367.8090 56.48480 25.00313 81.26423 36.61299 -24.77943      44.33585 
1 1 1 26  21 2  o 38.96370 19.06020 -264.6539      145.2641 -168.6041      159.3028 -738.6795      353.8964 46.59574 22.03956 56.84071 28.17130 -10.24498      35.76820 
1 1 1 26  21 3  o 109.9025 25.84089 391.1856       163.7379 427.5295       175.9297 155.8932       447.6386 114.6984 26.66139 100.8256 42.98888 13.87280       50.58531 
1 1 1 26  21 4  o 68.94347 27.65047 88.77778       170.2178 38.80327       182.5069 422.8213       471.8527 65.76936 27.71862 118.3287 46.48989 -52.55937      54.12607 
1 1 1 26  21 5  o 84.97224 29.26189 218.9244       176.6159 218.9244       176.6159 0.000000       0.000000 84.97224 29.26189 ?        ?        0.000000       29.26189 
1 1 1 26  21 6  o 49.33308 23.38446 -192.5157      181.1811 -192.5157      181.1811 0.000000       0.000000 49.33308 23.38446 ?        ?        0.000000       23.38446 
1 1 1 26  21 7  o 129.5274 25.11193 541.3326       183.8748 541.3326       183.8748 0.000000       0.000000 129.5274 25.11193 ?        ?        0.000000       25.11193 
1 1 1 26  21 8  o 189.2751 42.03876 1300.237       454.5105 1300.237       454.5105 0.000000       0.000000 189.2751 42.03876 ?        ?        0.000000       42.03876 
1 1 1 26  21 9  o 252.1378 37.14267 2203.978       532.8032 2203.978       532.8032 0.000000       0.000000 252.1378 37.14267 ?        ?        0.000000       37.14267 
1 1 1 26  21 10 o 152.2300 20.92470 728.9613       181.8769 728.9613       181.8769 0.000000       0.000000 152.2300 20.92470 ?        ?        0.000000       20.92470 
1 1 1 26  21 11 o 77.26795 28.13819 173.3595       165.2677 173.3595       165.2677 0.000000       0.000000 77.26795 28.13819 ?        ?        0.000000       28.13819 
1 1 1 26  21 12 o 201.0923 17.16879 1243.741       200.5466 1243.741       200.5466 0.000000       0.000000 201.0923 17.16879 ?        ?        0.000000       17.16879 
1 1 1 26  21 13 o 129.1887 25.35633 550.3011       185.2526 550.3011       185.2526 0.000000       0.000000 129.1887 25.35633 ?        ?        0.000000       25.35633 
1 1 1 26  21 14 o 59.20748 26.19629 -19.12842      179.5108 -19.12842      179.5108 0.000000       0.000000 59.20748 26.19629 ?        ?        0.000000       26.19629 
1 1 1 26  21 15 f 174.6647 20.75137 967.2610       208.4203 967.2610       208.4203 0.000000       0.000000 174.6647 20.75137 ?        ?        0.000000       20.75137 
1 1 1 26  21 16 o 214.2622 17.98925 1427.136       223.9671 1427.136       223.9671 0.000000       0.000000 214.2622 17.98925 ?        ?        0.000000       17.98925 
1 1 1 26  21 17 o 51.42977 23.98947 -125.3229      177.6373 -66.60017      199.6470 -348.4697      389.1840 58.56947 26.62215 69.14725 33.18491 -10.57779      42.54383 
1 1 1 26  21 18 o 49.96037 23.58580 -158.7040      180.8210 -88.12054      207.7973 -378.8426      366.9749 58.24138 26.73250 65.58389 31.66372 -7.342506      41.43933 
1 1 1 26  21 19 o 119.5871 27.07902 492.6611       185.4889 411.3726       225.4502 662.9744       326.3324 106.0707 32.86279 129.0083 39.46057 -22.93752      51.35270 
1 1 1 26  21 20 f 103.1119 28.66331 376.6478       179.5731 320.7915       209.9444 528.9001       346.6174 94.70372 31.91695 114.0388 40.85365 -19.33504      51.84315 
1 1 1 26  21 21 o 55.08689 24.96139 -49.13831      173.8526 -139.2845      203.2693 196.4642       335.5171 54.13998 25.38590 87.67651 37.29453 -33.53653      45.11459 
1 1 1 26  21 22 o 48.92173 22.99034 -129.6846      168.3285 -212.2400      197.2691 91.39558       322.8205 49.47630 23.71322 79.92992 35.25771 -30.45362      42.49026 
1 1 1 26  21 23 o 53.99392 24.51982 -49.11682      168.8795 -134.3267      207.3439 118.8169       291.0820 54.66316 25.63373 78.86561 34.15663 -24.20245      42.70554 
1 1 1 26  21 24 o 54.19209 24.49097 -37.57617      166.0471 -45.22244      202.1607 -21.72180      291.1028 58.87239 26.77134 70.16814 31.99200 -11.29575      41.71561 
1 1 1 26  21 25 o 66.87769 27.34011 105.1430       170.0817 64.59734       204.5565 195.9555       306.1357 66.75320 28.77096 83.90431 35.65462 -17.15111      45.81507 
1 1 1 26  21 26 o 59.63198 27.58950 -81.27902      227.6785 -233.5550      337.0973 46.45518       308.7402 64.87807 31.06926 74.60043 33.58332 -9.722351      45.75082 
1 1 1 26  21 27 o 88.93743 28.64902 289.1771       169.8277 414.9442       209.9563 51.16741       288.8302 103.8377 31.63030 73.04279 32.71394 30.79488       45.50470 
1 1 1 26  21 28 o 74.51470 28.77073 177.4341       178.2335 107.5714       226.7061 290.5014       288.4091 71.36720 30.51543 88.85810 35.86758 -17.49091      47.09219 
1 1 1 26  21 29 o 86.11762 30.23902 274.8728       189.0720 268.6942       249.3343 283.2332       290.0333 85.97340 33.78950 88.04448 35.81162 -2.071083      49.23619 
1 1 1 26  21 30 o 90.97391 30.19037 314.6621       187.9437 383.3797       265.2187 245.3465       266.3701 96.54515 35.56619 84.08350 34.27506 12.46165       49.39366 
1 1 1 26  22 0  o 189.8784 14.98610 1089.511       165.5320 1087.509       186.4578 1096.963       359.6305 188.9053 17.01214 179.2755 35.46115 9.629730       39.33072 
1 1 1 26  22 1  o 190.5279 35.20763 1234.308       378.9223 0.000000       0.000000 1234.308       378.9223 ?        ?        190.5279 35.20763 0.000000       35.20763 
1 1 1 26  22 2  o 95.87054 25.32250 299.1724       144.4726 310.8551       158.1335 240.1852       355.3293 97.43606 26.82610 98.58011 39.80477 -1.144051      48.00061 
1 1 1 26  22 3  f 105.3507 26.48666 364.3122       163.4528 412.5399       174.2995 12.60300       470.6952 112.0249 26.87471 93.94576 41.94106 18.07910       49.81268 
1 1 1 26  22 4  o 44.42305 20.97756 -146.0702      143.2249 -150.9545      151.6089 -105.5373      436.7441 45.84515 21.62897 85.67625 39.10994 -39.83110      44.69228 
1 1 1 26  22 5  o 121.7077 24.12621 478.2127       166.1228 580.9914       177.6511 -237.4761      468.7900 134.8316 23.30896 83.16527 38.85139 51.66629       45.30716 
1 1 1 26  22 6  o 104.7546 26.17367 361.8807       160.3302 361.8807       160.3302 0.000000       0.000000 104.7546 26.17367 ?        ?        0.000000       26.17367 
1 1 1 26  22 7  o 134.4716 21.55965 573.2990       164.2854 573.2990       164.2854 0.000000       0.000000 134.4716 21.55965 ?        ?        0.000000       21.55965 
1 1 1 26  22 8  o 139.6700 48.34343 779.6702       482.2903 779.6702       482.2903 0.000000       0.000000 139.6700 48.34343 ?        ?        0.000000       48.34343 
1 1 1 26  22 9  o 173.1518 17.29624 923.8655       173.2945 923.8655       173.2945 0.000000       0.000000 173.1518 17.29624 ?        ?        0.000000       17.29624 
1 1 1 26  22 10 o 49.47440 22.88607 -102.4845      156.5682 -102.4845      156.5682 0.000000       0.000000 49.47440 22.88607 ?        ?        0.000000       22.88607 
1 1 1 26  22 11 o 257.5230 14.07470 2008.210       211.7637 2008.210       211.7637 0.000000       0.000000 257.5230 14.07470 ?        ?        0.000000       14.07470 
1 1 1 26  22 12 o 150.2474 19.79572 711.9554       170.1934 711.9554       170.1934 0.000000       0.000000 150.2474 19.79572 ?        ?        0.000000       19.79572 
1 1 1 26  22 13 o 91.30077 27.72641 281.1843       161.4944 281.1843       161.4944 0.000000       0.000000 91.30077 27.72641 ?        ?        0.000000       27.72641 
1 1 1 26  22 14 o 69.25388 27.46361 112.1472       166.0562 112.1472       166.0562 0.000000       0.000000 69.25388 27.46361 ?        ?        0.000000       27.46361 
1 1 1 26  22 15 f 163.6713 20.07183 849.2654       188.6396 849.2654       188.6396 0.000000       0.000000 163.6713 20.07183 ?        ?        0.000000       20.07183 
1 1 1 26  22 16 o 52.87159 24.56593 -115.8955      183.4323 -115.8955      183.4323 0.000000       0.000000 52.87159 24.56593 ?        ?        0.000000       24.56593 
1 1 1 26  22 17 o 59.74945 25.92755 16.36946       168.3828 64.85308       189.5066 -165.4620      366.9960 66.75940 28.19626 72.91594 34.16438 -6.156540      44.29711 
1 1 1 26  22 18 o 116.5151 26.85845 468.6305       179.7718 530.8298       210.4344 300.6242       345.8490 122.2883 29.65156 96.01785 39.08690 26.27048       49.06120 
1 1 1 26  22 19 o 132.2027 23.55815 582.4684       175.9567 777.5743       209.6381 117.3538       323.6795 152.6575 24.22342 82.13470 35.79086 70.52284       43.21759 
1 1 1 26  22 20 o 178.3963 17.49845 1001.138       180.7252 998.1311       207.7014 1010.509       366.7018 175.9652 20.51030 158.7177 39.54149 17.24750       44.54438 
1 1 1 26  22 21 o 51.19785 23.76105 -97.97276      170.8568 -264.1087      197.6409 393.4069       339.9019 47.25956 22.91736 101.1812 39.54493 -53.92169      45.70565 
1 1 1 26  22 22 o 83.35021 28.88453 240.3656       172.1952 271.7339       197.5464 141.1368       351.3517 87.59265 30.89662 83.98101 36.92347 3.611641       48.14503 
1 1 1 26  22 23 o 58.14886 25.32371 20.87938       161.8362 0.5631042E-01  189.3190 77.39072       311.8816 60.21924 26.75919 77.24516 34.33402 -17.02592      43.53021 
1 1 1 26  22 24 o 58.19702 25.37319 21.81915       162.8580 -140.1948      191.7117 441.8369       308.6783 51.64993 24.35362 103.3604 38.31700 -51.71046      45.40145 
1 1 1 26  22 25 o 75.36278 27.81362 186.9438       162.3234 106.1782       195.3724 366.9616       291.6808 69.09633 28.87071 96.32547 36.90503 -27.22914      46.85615 
1 1 1 26  22 26 o 52.05662 24.92769 -203.7904      216.9259 60.50875       339.8699 -385.4736      281.7879 77.22032 34.95465 53.79998 26.36558 23.42034       43.78323 
1 1 1 26  22 27 o 49.95713 23.39982 -108.4238      171.9352 -42.96468      214.0627 -227.4243      288.6227 59.72026 27.30671 59.65310 28.61518 0.6716156E-01  39.55357 
1 1 1 26  22 28 o 84.04235 31.15115 257.3868       204.0061 180.5336       276.2914 349.5142       302.5036 79.75869 33.88175 93.42419 37.06159 -13.66550      50.21488 
1 1 1 26  22 29 o 57.01563 25.94471 -34.75362      190.2747 161.0974       268.9945 -230.8803      269.1837 77.78922 33.25009 57.12894 27.46418 20.66028       43.12598 
1 1 1 26  23 0  o 247.1030 25.97735 1961.109       370.8402 0.000000       0.000000 1961.109       370.8402 ?        ?        247.1030 25.97735 0.000000       25.97735 
1 1 1 26  23 1  o 139.5132 19.15291 607.1158       152.5794 641.6119       169.8257 462.6832       347.4969 142.6994 20.91272 114.9109 40.93464 27.78852       45.96724 
1 1 1 26  23 2  o 56.12638 23.83721 20.68190       136.7025 1.662992       149.1868 120.2626       341.3699 56.46369 24.45370 88.11171 37.55366 -31.64802      44.81362 
1 1 1 26  23 3  o 41.43155 19.45161 -111.8669      119.9933 -86.15791      124.6082 -439.7912      445.0320 44.29721 20.46498 73.67719 35.39206 -29.37998      40.88292 
1 1 1 26  23 4  o 85.10103 25.63659 235.8411       138.4587 255.2459       145.0598 37.06883       464.2693 88.21463 26.16226 92.84529 41.53733 -4.630661      49.08985 
1 1 1 26  23 5  o 68.08286 25.59747 121.4736       138.7305 93.67649       144.9858 422.9241       477.4557 65.32184 25.73788 113.8604 46.08113 -48.53852      52.78171 
1 1 1 26  23 6  o 194.9439 15.71498 1160.189       178.1479 1160.189       178.1479 0.000000       0.000000 194.9439 15.71498 ?        ?        0.000000       15.71498 
1 1 1 26  23 7  o 71.71899 34.81166 -531.5833      458.8994 -531.5833      458.8994 0.000000       0.000000 71.71899 34.81166 ?        ?        0.000000       34.81166 
1 1 1 26  23 8  o 100.2421 24.48152 332.6020       142.6640 332.6020       142.6640 0.000000       0.000000 100.2421 24.48152 ?        ?        0.000000       24.48152 
1 1 1 26  23 9  o 99.70570 24.52647 329.8697       142.4142 329.8697       142.4142 0.000000       0.000000 99.70570 24.52647 ?        ?        0.000000       24.52647 
1 1 1 26  23 10 o 88.84075 25.46849 262.9797       139.5479 262.9797       139.5479 0.000000       0.000000 88.84075 25.46849 ?        ?        0.000000       25.46849 
1 1 1 26  23 11 o 66.71960 25.20446 118.2977       134.8609 118.2977       134.8609 0.000000       0.000000 66.71960 25.20446 ?        ?        0.000000       25.20446 
1 1 1 26  23 12 o 192.5061 15.70990 1138.212       175.8243 1138.212       175.8243 0.000000       0.000000 192.5061 15.70990 ?        ?        0.000000       15.70990 
1 1 1 26  23 13 o 135.3275 21.98064 592.4250       168.4718 592.4250       168.4718 0.000000       0.000000 135.3275 21.98064 ?        ?        0.000000       21.98064 
1 1 1 26  23 14 o 80.61669 27.99838 209.5519       161.8326 209.5519       161.8326 0.000000       0.000000 80.61669 27.99838 ?        ?        0.000000       27.99838 
1 1 1 26  23 15 o 79.74957 29.04826 199.5080       176.1446 199.5080       176.1446 0.000000       0.000000 79.74957 29.04826 ?        ?        0.000000       29.04826 
1 1 1 26  23 16 o 90.05800 28.85467 280.6306       172.4370 280.6306       172.4370 0.000000       0.000000 90.05800 28.85467 ?        ?        0.000000       28.85467 
1 1 1 26  23 17 o 111.0735 25.63961 422.8925       163.6381 401.4897       183.6060 505.5484       360.8181 106.3872 28.74964 111.6728 41.42163 -5.285530      50.42116 
1 1 1 26  23 18 o 97.71241 27.11308 334.4739       160.8341 348.4439       182.8917 286.8109       337.8215 98.66955 29.40449 93.86980 38.47109 4.799744       48.42158 
1 1 1 26  23 19 o 69.71508 26.98218 134.7757       157.0391 93.16630       177.5506 284.2956       336.5703 67.25220 27.76039 93.24590 38.32775 -25.99370      47.32500 
1 1 1 26  23 20 o 75.89262 27.70413 184.6723       160.3475 327.4551       181.9079 -312.8287      339.5553 95.22836 29.52181 63.44088 30.58643 31.78748       42.50962 
1 1 1 26  23 21 o 58.25137 25.06987 31.80122       154.8759 -35.68904      172.7213 308.7149       349.8626 55.41560 25.01725 94.09126 38.91615 -38.67567      46.26369 
1 1 1 26  23 22 o 43.75444 20.98009 -175.0715      154.7952 -244.5337      173.8706 90.41029       339.9143 43.89022 21.33244 79.75269 35.62053 -35.86247      41.51982 
1 1 1 26  23 23 o 49.20938 22.73522 -77.27831      153.8091 -87.60702      180.9394 -50.37309      292.0305 52.93094 24.52615 68.28448 31.46900 -15.35353      39.89775 
1 1 1 26  23 24 o 92.47379 27.34122 309.5779       158.6259 307.6645       194.8591 313.3369       273.1218 90.87537 30.74870 91.35532 35.52119 -0.4799500     46.98124 
1 1 1 26  23 25 o 68.20195 27.08973 128.5124       161.8110 222.6282       201.2865 -43.40820      272.0490 80.72990 30.72400 66.29287 30.48654 14.43703       43.28271 
1 1 1 26  23 26 o 61.67244 27.61970 3.447739       205.8447 218.3649       268.4420 -303.2806      320.6947 82.41550 34.08784 60.31590 29.23546 22.09959       44.90760 
1 1 1 26  23 27 o 92.20688 38.94021 326.5657       361.3818 326.5657       361.3818 0.000000       0.000000 92.20688 38.94021 ?        ?        0.000000       38.94021 
1 1 1 26  23 28 o 49.84038 24.46167 -355.8396      245.3895 -198.2103      343.4347 -520.2527      350.7471 65.70116 31.43559 57.02217 28.22281 8.678986       42.24599 
1 1 1 26  24 0  f 163.5710 15.97865 820.8286       151.3315 845.3306       169.5334 724.7504       335.7115 165.1665 17.78160 139.2520 39.36567 25.91451       43.19538 
1 1 1 26  24 1  o 171.0669 15.17597 893.5182       150.6773 999.1598       169.5992 497.7513       328.2663 180.4823 16.19480 116.4483 39.90065 64.03397       43.06197 
1 1 1 26  24 2  o 55.97316 23.47133 33.30790       129.8305 85.58778       141.6562 -241.1732      324.5820 63.70798 25.33294 66.97279 31.61201 -3.264809      40.51021 
1 1 1 26  24 3  o 197.8144 14.51806 1189.602       167.2559 1178.653       179.6807 1260.659       457.7342 196.2936 15.73971 180.2708 43.74467 16.02284       46.49015 
1 1 1 26  24 4  o 41.01839 19.20248 -100.7437      115.5217 -101.3489      118.8640 -90.43452      490.6005 41.73361 19.51814 88.05546 40.65471 -46.32185      45.09726 
1 1 1 26  24 5  o 99.98397 23.31912 328.8103       134.2173 322.6051       139.3755 408.0185       497.9584 98.67381 24.25787 111.5675 46.31145 -12.89372      52.27997 
1 1 1 26  24 6  o 127.8162 19.88047 518.4039       144.1836 518.4039       144.1836 0.000000       0.000000 127.8162 19.88047 ?        ?        0.000000       19.88047 
1 1 1 26  24 7  o 201.3127 42.43649 1555.762       485.2110 1555.762       485.2110 0.000000       0.000000 201.3127 42.43649 ?        ?        0.000000       42.43649 
1 1 1 26  24 8  o 126.3476 19.99636 508.3449       143.2463 508.3449       143.2463 0.000000       0.000000 126.3476 19.99636 ?        ?        0.000000       19.99636 
1 1 1 26  24 9  o 268.6011 13.08954 2181.149       205.5763 2181.149       205.5763 0.000000       0.000000 268.6011 13.08954 ?        ?        0.000000       13.08954 
1 1 1 26  24 10 o 159.6004 16.30201 787.7888       150.4491 787.7888       150.4491 0.000000       0.000000 159.6004 16.30201 ?        ?        0.000000       16.30201 
1 1 1 26  24 11 o 97.15510 23.91438 315.0421       135.3298 315.0421       135.3298 0.000000       0.000000 97.15510 23.91438 ?        ?        0.000000       23.91438 
1 1 1 26  24 12 o 131.6248 19.91721 553.3834       148.9492 553.3834       148.9492 0.000000       0.000000 131.6248 19.91721 ?        ?        0.000000       19.91721 
1 1 1 26  24 13 o 70.22184 26.54923 138.0847       149.7063 138.0847       149.7063 0.000000       0.000000 70.22184 26.54923 ?        ?        0.000000       26.54923 
1 1 1 26  24 14 o 68.62189 26.71206 122.7241       154.5900 122.7241       154.5900 0.000000       0.000000 68.62189 26.71206 ?        ?        0.000000       26.71206 
1 1 1 26  24 15 o 52.30899 23.53552 -38.34486      151.4014 -38.34486      151.4014 0.000000       0.000000 52.30899 23.53552 ?        ?        0.000000       23.53552 
1 1 1 26  24 16 o 102.5023 26.33545 365.1242       159.1530 365.1242       159.1530 0.000000       0.000000 102.5023 26.33545 ?        ?        0.000000       26.33545 
1 1 1 26  24 17 o 75.84252 26.63385 186.9735       146.6788 220.8672       160.5437 15.78128       360.8074 80.99551 27.89845 78.95250 35.84847 2.043015       45.42506 
1 1 1 26  24 18 o 122.1195 22.51260 496.7729       155.2967 470.0587       175.0377 595.5699       336.6143 116.2637 26.28936 118.9417 40.41247 -2.677963      48.21098 
1 1 1 26  24 19 o 88.36000 26.29772 273.1644       146.3609 265.8752       162.5063 304.4762       336.8102 86.89230 28.02777 93.84842 38.43233 -6.956123      47.56680 
1 1 1 26  24 20 o 122.3785 21.14804 495.2430       146.2960 512.2585       162.4438 422.1958       336.5758 123.0324 23.36721 102.1094 39.50655 20.92304       45.89983 
1 1 1 26  24 21 o 107.5539 24.25429 399.6157       149.3297 405.2045       166.9292 377.2249       334.1229 106.6535 26.74027 97.92128 38.91653 8.732239       47.21799 
1 1 1 26  24 22 o 110.7096 24.20870 424.3388       152.7935 319.5078       176.0211 744.7770       307.7457 93.16702 29.06540 133.7585 37.64796 -40.59153      47.56224 
1 1 1 26  24 23 o 45.00341 21.21691 -118.0759      145.4211 -190.3660      175.1516 42.32405       260.9016 46.32982 22.24174 70.17603 31.28421 -23.84621      38.38485 
1 1 1 26  24 24 o 58.39931 25.18941 37.03405       157.0283 90.35545       190.7080 -75.22959      276.7181 66.96822 28.28502 65.06731 30.21203 1.900902       41.38610 
1 1 1 26  24 25 o 117.7425 32.58619 546.4771       232.6539 651.8344       284.1736 332.3036       405.1675 124.4205 36.54469 93.44663 40.38477 30.97388       54.46507 
1 1 1 26  24 26 o 71.38001 31.72953 66.83489       266.4111 333.2984       322.4139 -506.6830      473.0079 92.04033 37.63649 67.44059 33.26705 24.59974       50.23149 
1 1 1 26  24 27 o 69.29207 29.78054 95.43693       217.9769 -12.19956      281.0585 257.8971       345.2950 68.02042 31.17223 87.19785 37.47914 -19.17743      48.74827 
1 1 1 26  25 0  o 104.7498 22.00096 357.8090       130.8519 368.3628       143.6018 306.1681       317.6523 105.5279 23.77506 97.87758 38.23601 7.650352       45.02495 
1 1 1 26  25 1  o 164.8785 16.40183 839.2457       156.5002 939.3165       177.9704 497.9392       328.6747 173.8137 17.70569 115.0707 39.90444 58.74304       43.65611 
1 1 1 26  25 2  o 190.4655 14.17327 1104.317       157.1856 1112.781       168.2697 1046.342       440.3748 190.6935 15.17092 160.3529 45.00114 30.34058       47.48957 
1 1 1 26  25 3  o 66.23801 24.99681 116.8274       132.5701 139.5333       138.7355 -121.7402      449.7001 69.91810 25.72922 82.87097 38.49084 -12.95287      46.29836 
1 1 1 26  25 4  o 113.2178 21.11860 414.1273       135.0697 462.6086       140.2361 -207.7256      502.2455 120.0302 20.66690 83.72058 39.45784 36.30962       44.54259 
1 1 1 26  25 5  o 62.28803 23.75812 98.41732       120.5292 59.25933       124.6722 658.3903       471.4578 57.78677 23.48862 125.6506 47.19946 -67.86384      52.72101 
1 1 1 26  25 6  o 52.50259 22.78795 2.285699       130.1320 2.285699       130.1320 0.000000       0.000000 52.50259 22.78795 ?        ?        0.000000       22.78795 
1 1 1 26  25 7  o 65.75257 24.26142 121.1482       123.4972 121.1482       123.4972 0.000000       0.000000 65.75257 24.26142 ?        ?        0.000000       24.26142 
1 1 1 26  25 8  o 200.7767 14.17819 1229.292       165.8756 1229.292       165.8756 0.000000       0.000000 200.7767 14.17819 ?        ?        0.000000       14.17819 
1 1 1 26  25 9  o 214.7432 14.34138 1407.505       179.5826 1407.505       179.5826 0.000000       0.000000 214.7432 14.34138 ?        ?        0.000000       14.34138 
1 1 1 26  25 10 o 93.71436 25.15505 297.4552       141.1377 297.4552       141.1377 0.000000       0.000000 93.71436 25.15505 ?        ?        0.000000       25.15505 
1 1 1 26  25 11 o 284.9663 13.41879 2467.257       223.6329 2467.257       223.6329 0.000000       0.000000 284.9663 13.41879 ?        ?        0.000000       13.41879 
1 1 1 26  25 12 o 213.0037 15.14397 1396.047       187.9471 1396.047       187.9471 0.000000       0.000000 213.0037 15.14397 ?        ?        0.000000       15.14397 
1 1 1 26  25 13 o 59.59203 25.05649 49.05825       148.5814 49.05825       148.5814 0.000000       0.000000 59.59203 25.05649 ?        ?        0.000000       25.05649 
1 1 1 26  25 14 o 136.8365 20.47289 606.8195       159.2562 606.8195       159.2562 0.000000       0.000000 136.8365 20.47289 ?        ?        0.000000       20.47289 
1 1 1 26  25 15 o 62.02775 24.99942 84.37079       139.8745 84.37079       139.8745 0.000000       0.000000 62.02775 24.99942 ?        ?        0.000000       24.99942 
1 1 1 26  25 16 o 88.97565 25.91218 274.9893       143.4017 274.9893       143.4017 0.000000       0.000000 88.97565 25.91218 ?        ?        0.000000       25.91218 
1 1 1 26  25 17 o 98.47321 23.37217 330.1566       132.9437 386.1369       143.5060 -8.685255      353.0619 106.5642 23.58615 76.51954 35.01862 30.04466       42.22097 
1 1 1 26  25 18 o 105.1852 21.96634 371.0570       131.1278 332.6598       141.7936 597.8650       344.6165 97.96346 24.69178 117.4720 40.85372 -19.50854      47.73584 
1 1 1 26  25 19 o 46.40924 21.12971 -48.67228      126.4177 -62.38781      136.2222 36.44978       339.3614 47.21432 21.66120 76.87763 34.85100 -29.66331      41.03413 
1 1 1 26  25 20 o 49.60446 22.09735 -17.37544      129.9232 -13.39019      142.5923 -36.86007      315.2933 52.11946 23.18787 71.08170 32.73653 -18.96223      40.11680 
1 1 1 26  25 21 f 95.68574 24.77007 322.0444       140.0767 255.1552       157.0045 583.0259       310.1267 84.43069 27.57339 115.9870 38.78875 -31.55628      47.59054 
1 1 1 26  25 22 o 66.80749 25.53507 131.9718       139.4207 131.6015       160.4536 133.1128       281.6803 68.42210 27.03979 77.44248 33.57018 -9.020378      43.10577 
1 1 1 26  25 23 o 107.9903 25.85170 416.0961       161.5513 503.8195       182.3163 95.46042       348.5569 118.3229 26.88583 79.06261 35.62963 39.26027       44.63539 
1 1 1 26  25 24 o 139.9754 24.24618 679.1588       191.8357 595.6093       198.8056 1808.417       730.8929 128.2856 27.26526 156.8663 58.80114 -28.58067      64.81487 
1 1 1 26  25 25 o 76.70276 29.73677 195.6160       190.9816 231.5795       198.4460 -255.6423      702.9491 80.84722 30.56689 83.99407 41.26007 -3.146851      51.34908 
1 1 1 26  25 26 o 52.56920 24.00987 -46.29696      164.8857 133.0552       192.1657 -546.9056      321.0493 70.37679 28.94785 53.29681 26.48613 17.07999       39.23637 
1 1 1 26  26 0  o 45.37400 20.91381 -77.97381      129.0505 -127.7673      140.6371 187.4093       324.6761 44.36798 20.90125 88.31267 37.08018 -43.94469      42.56526 
1 1 1 26  26 1  o 107.5814 20.77699 375.2905       126.3440 448.5707       137.1339 -36.17567      324.9515 117.9596 20.57016 75.08424 34.06382 42.87540       39.79290 
1 1 1 26  26 2  o 91.02644 24.97293 279.2805       137.3158 321.2106       145.0219 -84.09741      426.9237 97.48016 25.18772 81.71507 37.79708 15.76510       45.42071 
1 1 1 26  26 3  o 153.8417 15.92099 732.1409       141.5728 697.6003       148.9286 1056.115       456.1095 149.4376 17.31284 157.4123 46.31557 -7.974716      49.44559 
1 1 1 26  26 4  o 239.8779 12.46313 1738.822       174.7334 1751.524       186.4535 1647.210       500.7437 240.2738 13.28333 203.5737 43.27571 36.70010       45.26847 
1 1 1 26  26 5  o 56.79701 22.85411 62.59163       116.6926 68.31914       120.7790 -17.78024      452.4393 58.13142 23.29921 86.08447 39.48765 -27.95305      45.84897 
1 1 1 26  26 6  o 99.90548 39.56254 339.3564       344.1351 855.8058       474.8794 -231.8218      499.4077 138.4035 47.96719 81.64042 38.73506 56.76313       61.65433 
1 1 1 26  26 7  o 169.2982 15.26035 883.0928       149.8944 883.0928       149.8944 0.000000       0.000000 169.2982 15.26035 ?        ?        0.000000       15.26035 
1 1 1 26  26 8  o 146.1045 17.91223 672.1706       150.2770 672.1706       150.2770 0.000000       0.000000 146.1045 17.91223 ?        ?        0.000000       17.91223 
1 1 1 26  26 9  f 138.0629 18.40660 604.0803       145.3295 604.0803       145.3295 0.000000       0.000000 138.0629 18.40660 ?        ?        0.000000       18.40660 
1 1 1 26  26 10 o 103.2699 23.48638 358.4344       139.0222 358.4344       139.0222 0.000000       0.000000 103.2699 23.48638 ?        ?        0.000000       23.48638 
1 1 1 26  26 11 o 100.2394 24.44986 342.5236       142.4322 342.5236       142.4322 0.000000       0.000000 100.2394 24.44986 ?        ?        0.000000       24.44986 
1 1 1 26  26 12 o 166.0082 16.57310 862.4675       159.2013 862.4675       159.2013 0.000000       0.000000 166.0082 16.57310 ?        ?        0.000000       16.57310 
1 1 1 26  26 13 o 60.15396 24.64259 69.84293       138.5339 69.84293       138.5339 0.000000       0.000000 60.15396 24.64259 ?        ?        0.000000       24.64259 
1 1 1 26  26 14 o 160.4736 16.63173 808.2761       154.2610 808.2761       154.2610 0.000000       0.000000 160.4736 16.63173 ?        ?        0.000000       16.63173 
1 1 1 26  26 15 o 169.7058 15.90010 899.5905       156.4084 899.5905       156.4084 0.000000       0.000000 169.7058 15.90010 ?        ?        0.000000       15.90010 
1 1 1 26  26 16 o 53.84953 23.06573 25.09484       129.9429 25.09484       129.9429 0.000000       0.000000 53.84953 23.06573 ?        ?        0.000000       23.06573 
1 1 1 26  26 17 o 63.66451 24.42247 112.3727       127.8455 112.3727       127.8455 0.000000       0.000000 63.66451 24.42247 ?        ?        0.000000       24.42247 
1 1 1 26  26 18 o 41.46276 19.30460 -79.55395      114.1857 -70.60766      121.2159 -150.0375      340.2375 43.60425 20.15885 68.41486 32.31467 -24.81062      38.08697 
1 1 1 26  26 19 o 76.01356 24.49146 198.1054       124.1087 173.2902       135.3728 328.8785       310.7649 72.39506 25.57295 93.18293 37.36462 -20.78787      45.27793 
1 1 1 26  26 20 o 99.05341 22.48499 335.9790       127.6228 316.5855       139.9252 431.9458       311.2640 94.68447 24.87889 101.2703 38.28345 -6.585876      45.65722 
1 1 1 26  26 21 o 80.38478 24.85598 226.6173       129.0475 294.2290       140.0121 -155.0475      332.6561 90.92852 25.32220 66.87247 31.69474 24.05605       40.56810 
1 1 1 26  26 22 o 135.9868 20.42367 613.0834       157.8568 591.8605       164.6349 855.0214       555.8672 132.4241 21.96791 119.9270 49.27132 12.49710       53.94675 
1 1 1 26  26 23 o 163.3265 38.32019 1129.785       360.6938 733.2031       402.0097 2767.119       816.8431 120.2469 43.87084 199.2265 62.67988 -78.97959      76.50764 
1 1 1 26  26 24 o 106.6913 25.59157 408.5678       158.0704 499.0588       167.6618 -315.1437      474.1482 118.8920 24.84698 71.73759 34.94854 47.15439       42.88091 
1 1 1 26  26 25 o 96.30281 25.65500 335.5489       147.4922 499.6362       170.4958 -152.4345      294.0213 118.4645 25.30867 62.60269 29.70787 55.86182       39.02674 
1 1 1 26  27 0  o 75.71099 24.55522 187.5691       124.6283 244.0703       135.6046 -119.6699      316.2158 84.97052 25.31880 69.63693 32.32092 15.33359       41.05707 
1 1 1 26  27 1  o 57.98877 23.09554 71.70715       117.9218 80.45779       126.7031 15.06115       322.3682 60.30827 23.96591 76.90627 34.49370 -16.59800      42.00214 
1 1 1 26  27 2  o 42.77503 19.61392 -61.41710      111.4849 -28.70519      116.0172 -455.7248      402.7979 46.58693 20.80866 66.49886 32.35481 -19.91193      38.46861 
1 1 1 26  27 3  o 55.92411 22.59761 59.70121       114.6145 47.86516       119.2147 204.2503       416.6140 55.19265 22.76137 93.34021 40.64043 -38.14756      46.58030 
1 1 1 26  27 4  o 170.8182 14.23656 895.0125       141.3276 925.6321       148.4089 596.9305       463.0491 173.4697 14.72673 117.9608 46.14046 55.50888       48.43365 
1 1 1 26  27 5  o 90.38335 23.58275 275.4030       126.3038 248.0347       131.3366 612.1147       460.6708 85.54176 24.76498 118.7480 46.14342 -33.20626      52.36906 
1 1 1 26  27 6  o 108.9636 42.74526 471.5317       398.3808 471.5317       398.3808 0.000000       0.000000 108.9636 42.74526 ?        ?        0.000000       42.74526 
1 1 1 26  27 7  o 125.9881 19.73848 511.5996       141.0599 511.5996       141.0599 0.000000       0.000000 125.9881 19.73848 ?        ?        0.000000       19.73848 
1 1 1 26  27 8  o 137.6921 18.63619 604.7946       146.6332 604.7946       146.6332 0.000000       0.000000 137.6921 18.63619 ?        ?        0.000000       18.63619 
1 1 1 26  27 9  o 37.60658 18.19537 -175.2245      122.8044 -175.2245      122.8044 0.000000       0.000000 37.60658 18.19537 ?        ?        0.000000       18.19537 
1 1 1 26  27 10 o 176.8217 15.64916 972.2908       160.6109 972.2908       160.6109 0.000000       0.000000 176.8217 15.64916 ?        ?        0.000000       15.64916 
1 1 1 26  27 11 o 176.1913 15.59286 965.6182       159.4626 965.6182       159.4626 0.000000       0.000000 176.1913 15.59286 ?        ?        0.000000       15.59286 
1 1 1 26  27 12 o 159.9888 16.59054 804.0078       153.4115 804.0078       153.4115 0.000000       0.000000 159.9888 16.59054 ?        ?        0.000000       16.59054 
1 1 1 26  27 13 o 81.55828 24.75212 228.4838       128.7328 228.4838       128.7328 0.000000       0.000000 81.55828 24.75212 ?        ?        0.000000       24.75212 
1 1 1 26  27 14 o 122.7674 18.74432 486.5392       130.6879 486.5392       130.6879 0.000000       0.000000 122.7674 18.74432 ?        ?        0.000000       18.74432 
1 1 1 26  27 15 o 52.84552 21.98692 42.81824       112.6097 42.81824       112.6097 0.000000       0.000000 52.84552 21.98692 ?        ?        0.000000       21.98692 
1 1 1 26  27 16 o 64.78580 23.80781 127.0391       118.7214 127.0391       118.7214 0.000000       0.000000 64.78580 23.80781 ?        ?        0.000000       23.80781 
1 1 1 26  27 17 o 70.96944 23.20586 168.5609       111.1895 169.7593       117.2703 157.8958       349.8361 71.29642 23.85246 83.25643 36.71510 -11.96001      43.78286 
1 1 1 26  27 18 o 52.90901 21.97211 46.14583       112.1580 64.71245       119.5540 -90.13940      323.9082 56.23531 22.94764 68.85639 32.20852 -12.62109      39.54722 
1 1 1 26  27 19 o 45.62943 20.46873 -25.23116      113.5639 -8.953712      122.7411 -122.0331      299.3222 48.85109 21.63548 65.09661 30.61220 -16.24552      37.48601 
1 1 1 26  27 20 o 67.95503 25.00698 146.1101       131.0563 151.7308       137.3664 89.11380       437.4308 69.10194 25.57132 83.29893 38.43361 -14.19698      46.16314 
1 1 1 26  27 21 o 42.09407 19.87131 -108.9391      128.3250 -121.1745      131.4592 138.5181       591.1969 41.95157 19.89530 89.81728 42.47558 -47.86572      46.90413 
1 1 1 26  27 22 o 50.09497 21.91643 7.235629       122.4203 11.47872       129.2605 -29.70224      381.3823 51.63346 22.55647 74.64360 34.92656 -23.01014      41.57715 
1 1 1 26  27 23 o 199.0705 13.27568 1226.036       154.1080 1156.694       171.8684 1510.490       348.0982 191.6088 15.42455 200.9031 30.50095 -9.294327      34.17930 
1 1 1 26  27 24 o 79.32159 24.68284 223.7880       127.0287 238.1825       140.3374 158.5111       298.8511 81.22477 26.03145 78.56315 34.30980 2.661621       43.06737 
1 1 1 26  28 0  o 77.84307 24.07406 203.2357       121.0502 296.8320       131.2134 -331.7026      313.6900 93.41824 23.86561 60.40461 29.19055 33.01363       37.70484 
1 1 1 26  28 1  o 42.33706 19.41978 -59.15107      109.4166 -110.8192      116.6985 316.5273       314.6748 40.11892 18.94219 95.27068 37.79799 -55.15175      42.27877 
1 1 1 26  28 2  o 104.9565 22.24741 367.3572       132.6852 411.2991       140.4306 1.651517       405.1241 111.1737 22.31451 81.57388 37.39901 29.59981       43.55024 
1 1 1 26  28 3  o 94.50424 23.60680 303.4289       130.4480 253.0330       137.3072 770.3666       417.9507 85.79021 25.45614 130.4909 45.01103 -44.70067      51.71081 
1 1 1 26  28 4  o 64.82458 24.56281 117.1223       128.3084 129.9971       133.9234 -26.82967      447.8103 67.08132 25.16504 82.94547 38.48574 -15.86414      45.98295 
1 1 1 26  28 5  o 53.19059 22.67722 25.42675       124.5492 -23.36996      129.3286 649.2701       462.4204 49.35146 22.01166 118.5687 46.18658 -69.21720      51.16360 
1 1 1 26  28 6  o 64.12936 24.53431 112.3145       128.7855 112.3145       128.7855 0.000000       0.000000 64.12936 24.53431 ?        ?        0.000000       24.53431 
1 1 1 26  28 7  o 45.78127 20.77129 -45.40801      120.8521 -45.40801      120.8521 0.000000       0.000000 45.78127 20.77129 ?        ?        0.000000       20.77129 
1 1 1 26  28 8  o 120.9956 19.72775 475.6833       135.1713 475.6833       135.1713 0.000000       0.000000 120.9956 19.72775 ?        ?        0.000000       19.72775 
1 1 1 26  28 9  o 71.21294 24.88639 163.1902       127.9634 163.1902       127.9634 0.000000       0.000000 71.21294 24.88639 ?        ?        0.000000       24.88639 
1 1 1 26  28 10 o 161.2345 16.17060 815.1713       150.8478 815.1713       150.8478 0.000000       0.000000 161.2345 16.17060 ?        ?        0.000000       16.17060 
1 1 1 26  28 11 o 93.86451 23.84321 303.3513       131.4897 303.3513       131.4897 0.000000       0.000000 93.86451 23.84321 ?        ?        0.000000       23.84321 
1 1 1 26  28 12 f 65.07944 23.94833 127.0446       120.1939 127.0446       120.1939 0.000000       0.000000 65.07944 23.94833 ?        ?        0.000000       23.94833 
1 1 1 26  28 13 o 125.0895 17.73327 501.8906       126.4526 501.8906       126.4526 0.000000       0.000000 125.0895 17.73327 ?        ?        0.000000       17.73327 
1 1 1 26  28 14 o 127.9328 17.82227 525.8923       130.0946 525.8923       130.0946 0.000000       0.000000 127.9328 17.82227 ?        ?        0.000000       17.82227 
1 1 1 26  28 15 o 121.2676 18.32070 476.1543       126.2388 476.1543       126.2388 0.000000       0.000000 121.2676 18.32070 ?        ?        0.000000       18.32070 
1 1 1 26  28 16 o 52.59066 21.92225 43.52876       112.2550 43.52876       112.2550 0.000000       0.000000 52.59066 21.92225 ?        ?        0.000000       21.92225 
1 1 1 26  28 17 o 44.03629 19.61332 -17.69962      102.3068 -37.61743      107.2492 183.5834       340.9393 43.20866 19.58953 83.44846 36.53999 -40.23980      41.45986 
1 1 1 26  28 18 o 72.13253 22.99503 177.2061       109.6194 188.2036       115.0448 68.78744       361.2193 74.02743 23.55247 78.32484 35.68245 -4.297417      42.75461 
1 1 1 26  28 19 o 59.13459 22.84124 95.42120       112.3699 88.39172       115.3975 224.1388       493.8029 58.49802 22.98847 90.08486 41.29684 -31.58684      47.26414 
1 1 1 26  28 20 o 126.9760 16.62322 516.8483       120.8207 439.8883       127.1508 1232.559       387.7531 115.2116 19.51376 168.0871 39.92936 -52.87545      44.44255 
1 1 1 26  28 21 o 62.37415 22.94498 119.8432       110.3179 143.2507       119.2697 -18.76607      290.2343 66.50450 23.94738 68.23150 31.41838 -1.726997      39.50432 
1 1 1 26  28 22 o 58.81419 22.94230 93.09653       114.2263 106.4756       122.8591 7.805473       310.2035 61.48604 23.84706 71.06702 32.63512 -9.580978      40.41948 
1 1 1 26  28 23 o 72.14989 23.35393 180.3614       112.7654 97.69005       122.0267 663.8138       295.0898 60.09344 23.63225 122.3971 37.54034 -62.30367      44.35945 
1 1 1 26  29 0  o 133.5473 16.78985 564.0762       128.6025 678.4118       140.7922 -11.76024      315.9638 146.6822 16.66116 73.10130 33.32962 73.58086       37.26202 
1 1 1 26  29 1  o 110.3069 19.60287 397.1207       122.1692 367.2849       131.7667 579.8373       326.0807 104.5664 22.17490 116.9985 39.77480 -12.43208      45.53857 
1 1 1 26  29 2  f 53.11496 22.16406 40.56114       114.9218 0.2492190      119.0501 591.7449       440.2115 49.49528 21.63430 113.7596 44.84019 -64.26434      49.78640 
1 1 1 26  29 3  o 63.02884 23.86592 111.1374       121.0815 86.62208       126.3035 389.3551       425.4893 60.33895 23.94423 100.8336 42.39967 -40.49466      48.69351 
1 1 1 26  29 4  o 40.62289 19.08562 -98.37184      115.8800 -94.89838      119.9151 -147.3940      450.4935 41.73305 19.54581 77.90565 36.91214 -36.17260      41.76775 
1 1 1 26  29 5  o 107.2554 21.85246 384.8201       132.7862 455.0842       138.1273 -471.3761      482.1695 117.5134 20.80322 71.03963 34.74564 46.47372       40.49732 
1 1 1 26  29 6  o 58.16249 23.19105 77.17329       119.0323 99.71909       122.4136 -314.1095      509.9673 61.53260 23.82056 76.76855 37.12769 -15.23595      44.11218 
1 1 1 26  29 7  o 69.78330 24.80200 155.2883       127.5000 155.2883       127.5000 0.000000       0.000000 69.78330 24.80200 ?        ?        0.000000       24.80200 
1 1 1 26  29 8  o 43.11289 19.72430 -53.16013      111.8969 -53.16013      111.8969 0.000000       0.000000 43.11289 19.72430 ?        ?        0.000000       19.72430 
1 1 1 26  29 9  o 80.76405 23.93531 224.4279       121.4510 224.4279       121.4510 0.000000       0.000000 80.76405 23.93531 ?        ?        0.000000       23.93531 
1 1 1 26  29 10 o 72.13393 23.85886 174.0840       117.4059 174.0840       117.4059 0.000000       0.000000 72.13393 23.85886 ?        ?        0.000000       23.85886 
1 1 1 26  29 11 o 100.9590 21.15344 342.1170       121.2339 342.1170       121.2339 0.000000       0.000000 100.9590 21.15344 ?        ?        0.000000       21.15344 
1 1 1 26  29 12 o 75.37028 23.34067 194.2781       113.7430 194.2781       113.7430 0.000000       0.000000 75.37028 23.34067 ?        ?        0.000000       23.34067 
1 1 1 26  29 13 o 76.47823 23.26791 200.9858       113.6616 200.9858       113.6616 0.000000       0.000000 76.47823 23.26791 ?        ?        0.000000       23.26791 
1 1 1 26  29 14 o 59.01610 23.02750 91.22548       115.1022 91.22548       115.1022 0.000000       0.000000 59.01610 23.02750 ?        ?        0.000000       23.02750 
1 1 1 26  29 15 o 51.33051 21.35010 42.00690       106.1348 42.00690       106.1348 0.000000       0.000000 51.33051 21.35010 ?        ?        0.000000       21.35010 
1 1 1 26  29 16 o 46.20629 20.21743 0.3808891      104.2013 7.320754       108.0966 -90.74000      391.6927 47.68216 20.73177 73.54507 34.71798 -25.86292      40.43692 
1 1 1 26  29 17 o 71.19786 23.79807 172.2502       116.7398 188.8907       119.4745 -178.8174      548.7661 73.97233 24.04596 79.57281 38.49123 -5.600487      45.38483 
1 1 1 26  29 18 f 33.24903 16.19978 -160.9617      101.9548 -190.2005      105.7648 223.0761       383.3085 32.63482 16.02570 86.10531 38.17913 -53.47049      41.40615 
1 1 1 26  29 19 o 51.65128 21.16691 51.25216       102.2569 75.41032       108.5054 -140.5620      305.7453 55.73561 22.16862 64.11105 30.38588 -8.375446      37.61315 
1 1 1 26  29 20 o 64.17950 22.58899 133.4559       105.5517 168.9542       113.8200 -84.58884      282.0897 70.34623 23.49829 64.22171 30.04609 6.124519       38.14364 
1 1 1 26  29 21 o 47.40231 20.18991 22.67915       98.55792 50.40990       107.8142 -118.3328      243.1214 52.31778 21.61757 58.48849 27.53092 -6.170704      35.00387 
1 1 1 26  30 0  o 55.88619 22.86695 60.32946       119.1107 103.0971       127.3353 -239.0201      336.8843 62.28820 24.24420 64.88374 31.06861 -2.595531      39.40863 
1 1 1 26  30 1  o 84.62206 22.50520 244.6600       113.6189 217.2965       120.0784 478.6610       351.1465 79.49340 23.85804 105.6875 40.49242 -26.19406      46.99832 
1 1 1 26  30 2  o 41.00826 19.03397 -72.80885      109.6802 -77.49231      113.1621 -0.1976653     445.5739 41.41217 19.25969 81.84640 38.11599 -40.43423      42.70555 
1 1 1 26  30 3  o 79.32613 24.11619 216.7287       122.1313 279.8728       126.9103 -574.6310      449.2804 89.92802 23.72441 65.48463 32.32470 24.44339       40.09655 
1 1 1 26  30 4  o 106.7581 20.61873 378.5864       124.4222 365.0992       129.8066 531.1155       436.5274 103.9988 21.97171 107.9067 43.91812 -3.907959      49.10761 
1 1 1 26  30 5  o 76.48879 34.35258 61.16425       320.9232 -124.6297      434.7325 283.6654       475.7431 76.62019 36.29059 94.72748 42.23596 -18.10729      55.68557 
1 1 1 26  30 6  o 61.15990 23.26230 104.5156       115.3464 109.5911       118.9482 24.49366       472.3089 62.23185 23.63381 83.80307 39.09901 -21.57122      45.68686 
1 1 1 26  30 7  o 41.96383 19.30690 -58.68203      109.2796 -58.68203      109.2796 0.000000       0.000000 41.96383 19.30690 ?        ?        0.000000       19.30690 
1 1 1 26  30 8  o 112.7674 19.99772 420.1628       127.4135 420.1628       127.4135 0.000000       0.000000 112.7674 19.99772 ?        ?        0.000000       19.99772 
1 1 1 26  30 9  o 51.00815 21.33874 37.31755       106.9239 37.31755       106.9239 0.000000       0.000000 51.00815 21.33874 ?        ?        0.000000       21.33874 
1 1 1 26  30 10 o 67.87711 23.05231 151.7074       109.5281 151.7074       109.5281 0.000000       0.000000 67.87711 23.05231 ?        ?        0.000000       23.05231 
1 1 1 26  30 11 o 164.5335 14.60054 845.1672       139.4266 845.1672       139.4266 0.000000       0.000000 164.5335 14.60054 ?        ?        0.000000       14.60054 
1 1 1 26  30 12 o 139.3280 15.98999 615.5969       128.2931 615.5969       128.2931 0.000000       0.000000 139.3280 15.98999 ?        ?        0.000000       15.98999 
1 1 1 26  30 13 o 100.4746 20.93681 341.0225       119.3644 341.0225       119.3644 0.000000       0.000000 100.4746 20.93681 ?        ?        0.000000       20.93681 
1 1 1 26  30 14 o 52.76574 21.60545 53.77837       106.4253 53.77837       106.4253 0.000000       0.000000 52.76574 21.60545 ?        ?        0.000000       21.60545 
1 1 1 26  30 15 o 183.4588 36.46981 1371.803       378.5703 1371.803       378.5703 0.000000       0.000000 183.4588 36.46981 ?        ?        0.000000       36.46981 
1 1 1 26  30 16 o 75.97745 23.43953 201.5387       114.8361 209.7284       116.1957 -142.2943      752.8867 77.36644 23.52337 86.93790 42.70502 -9.571465      48.75518 
1 1 1 26  30 17 o 88.17494 20.49687 264.6454       103.9764 319.5841       111.5967 -96.91634      286.2883 97.29363 20.21853 64.02320 30.05411 33.27043       36.22207 
1 1 1 26  30 18 o 53.19258 21.05083 68.14266       97.37386 85.15410       105.3329 -31.83382      255.3538 56.63610 22.04862 64.13745 29.51024 -7.501354      36.83743 
1 1 1 26  30 19 o 69.78453 21.68437 166.4296       98.07874 124.5734       105.7451 424.1020       262.3700 62.66284 22.55073 99.67251 35.56227 -37.00967      42.10950 
1 1 1 26  30 20 o 126.4984 14.59906 505.3321       106.3233 529.4526       118.4757 405.5187       241.0068 128.5840 16.05974 98.27094 34.16542 30.31309       37.75170 
1 1 1 26  31 0  o 66.05665 24.92029 131.3540       131.7355 -539.4108      418.0030 205.3227       138.8091 63.03209 31.12622 76.94808 25.95247 -13.91599      40.52620 
1 1 1 26  31 1  o 86.93382 24.53814 266.3058       130.5432 329.3553       422.9418 259.6667       137.2443 94.31362 41.00744 85.48805 25.47103 8.825569       48.27405 
1 1 1 26  31 2  o 71.60941 24.75279 171.6501       126.4220 -9.652703      426.5670 189.1085       132.3689 79.20956 37.02213 74.42284 25.34119 4.786728       44.86440 
1 1 1 26  31 3  o 216.4087 11.84359 1428.819       149.7441 504.5751       447.2535 1545.503       158.9157 104.1941 43.61922 224.9104 12.09223 -120.7163      45.26432 
1 1 1 26  31 4  o 77.94347 25.62323 212.1505       135.4839 -236.1335      433.8012 260.6035       142.6180 72.05237 34.69619 85.35825 26.08249 -13.30588      43.40647 
1 1 1 26  31 5  o 78.05042 34.10351 134.3418       295.5999 -56.76239      403.0583 356.7615       434.8300 75.82506 35.61510 95.64984 41.58419 -19.82478      54.75108 
1 1 1 26  31 6  o 58.07272 28.21946 -320.1295      303.8065 -631.2939      388.5910 169.0994       487.2523 58.32473 29.01050 88.43370 40.71640 -30.10897      49.99435 
1 1 1 26  31 7  o 87.06519 38.69069 214.0695       395.8421 214.0695       395.8421 0.000000       0.000000 87.06519 38.69069 ?        ?        0.000000       38.69069 
1 1 1 26  31 8  o 63.75109 31.33153 -454.9905      406.9384 -454.9905      406.9384 0.000000       0.000000 63.75109 31.33153 ?        ?        0.000000       31.33153 
1 1 1 26  31 9  o 81.28028 22.22316 228.4105       108.9542 228.4105       108.9542 0.000000       0.000000 81.28028 22.22316 ?        ?        0.000000       22.22316 
1 1 1 26  31 10 o 116.0372 43.21061 671.7612       393.3887 671.7612       393.3887 0.000000       0.000000 116.0372 43.21061 ?        ?        0.000000       43.21061 
1 1 1 26  31 11 o 57.96566 22.03727 94.19835       103.4884 94.19835       103.4884 0.000000       0.000000 57.96566 22.03727 ?        ?        0.000000       22.03727 
1 1 1 26  31 12 o 50.81176 21.00427 44.62612       101.8427 44.62612       101.8427 0.000000       0.000000 50.81176 21.00427 ?        ?        0.000000       21.00427 
1 1 1 26  31 13 o 36.97909 17.86542 -155.4092      117.3091 -155.4092      117.3091 0.000000       0.000000 36.97909 17.86542 ?        ?        0.000000       17.86542 
1 1 1 26  31 14 o 74.32253 23.57014 192.6410       115.2962 192.6410       115.2962 0.000000       0.000000 74.32253 23.57014 ?        ?        0.000000       23.57014 
1 1 1 26  31 15 o 62.58619 23.00884 121.9655       110.9050 121.9655       110.9050 0.000000       0.000000 62.58619 23.00884 ?        ?        0.000000       23.00884 
1 1 1 26  31 16 o 68.24131 23.22572 157.4244       111.1894 157.4244       111.1894 0.000000       0.000000 68.24131 23.22572 ?        ?        0.000000       23.22572 
1 1 1 26  31 17 o 67.77671 27.99932 119.7988       180.8152 1131.394       400.3281 -139.4596      202.6652 153.9463 42.79803 52.32229 24.78098 101.6240       49.45471 
1 1 1 26  31 18 o 60.93264 26.90597 32.88512       188.4638 359.9690       408.0242 -55.82218      212.4888 92.33540 40.21089 57.90360 26.74153 34.43179       48.29105 
1 1 1 26  32 0  o 65.00104 25.08169 124.0398       135.3952 177.4655       419.8079 117.8374       143.0387 85.36780 38.72464 64.86299 25.56220 20.50481       46.40069 
1 1 1 26  32 1  o 74.61006 26.69373 191.2256       147.9306 426.6880       404.8014 154.9338       158.9224 98.14818 41.31827 70.44868 27.17631 27.69949       49.45454 
1 1 1 26  32 2  o 62.16039 25.37941 91.66176       146.3330 -336.6686      397.9526 158.6336       157.3577 65.79239 32.04445 70.78815 27.11023 -4.995766      41.97393 
1 1 1 26  32 3  o 46.30373 21.49792 -77.84316      140.0653 355.3545       396.5367 -139.5958      149.7160 93.77408 40.23251 44.24538 21.05439 49.52869       45.40861 
1 1 1 26  32 4  o 112.4406 22.16691 432.7657       140.9786 59.69016       397.8820 486.3278       150.7594 79.16828 36.57303 119.1944 22.38829 -40.02612      42.88149 
1 1 1 26  32 5  o 69.45754 33.39253 -207.7272      398.0390 -207.7272      398.0390 0.000000       0.000000 69.45754 33.39253 ?        ?        0.000000       33.39253 
1 1 1 26  32 6  o 76.96413 26.03724 209.0421       139.7193 223.3828       403.7610 207.0912       148.9199 86.74117 38.77630 76.73708 26.84487 10.00408       47.16194 
1 1 1 26  32 7  o 106.0968 22.90915 390.3804       138.3699 289.3840       365.5795 407.2683       149.4915 89.24149 38.46305 107.4090 24.30133 -18.16751      45.49683 
1 1 1 26  32 8  o 62.60539 24.62295 107.8928       132.4857 -146.4401      373.7360 144.4466       141.6869 69.62314 33.16847 67.97666 25.79905 1.646477       42.02069 
1 1 1 26  32 9  o 66.27187 26.00311 127.7111       147.4515 415.3007       375.2667 75.20361       160.3482 97.03268 40.23411 61.83913 26.01722 35.19354       47.91325 
1 1 1 26  32 10 o 56.56668 24.05832 47.86902       139.5904 -104.8579      381.6991 71.44867       149.9795 71.41166 33.87668 60.22450 25.23873 11.18716       42.24480 
1 1 1 26  32 11 o 121.5107 19.54539 490.5451       134.5636 139.1135       389.7732 538.0993       143.3792 81.51089 37.10757 127.1082 19.88491 -45.59733      42.09966 
1 1 1 26  32 12 o 154.2109 14.24732 745.6754       127.3981 552.1773       395.0974 768.1283       134.5867 104.7869 42.09159 156.0785 14.88306 -51.29159      44.64535 
1 1 1 26  32 13 o 114.7078 42.90401 681.7067       388.6746 681.7067       388.6746 0.000000       0.000000 114.7078 42.90401 ?        ?        0.000000       42.90401 
1 1 1 26  32 14 o 54.77740 21.23617 79.56582       97.39810 1073.736       401.0411 17.25177       100.4042 147.8058 43.41379 47.02850 20.21187 100.7773       47.88817 
1 1 1 26  32 15 o 88.57505 24.00750 280.7302       127.8040 -428.1353      379.2838 371.5261       135.7424 61.12681 30.08242 102.9036 23.06426 -41.77681      37.90662 
1 1 1 26  32 16 f 56.31583 22.17265 82.64680       107.5290 -71.92001      383.1243 95.86344       112.0320 71.86587 34.04751 58.64107 22.76420 13.22480       40.95658 
1 1 1 26  33 0  o 58.45845 24.97595 52.59119       151.6505 645.7584       431.1209 -31.16766      162.0040 109.9004 44.02934 52.94909 24.03357 56.95135       50.16169 
1 1 1 26  33 1  o 109.4370 25.49134 431.9328       160.5539 -343.1632      416.8917 566.9140       173.9731 66.47923 32.47067 126.9901 24.24344 -60.51083      40.52270 
1 1 1 26  33 2  o 55.96742 24.38265 27.30427       150.1485 -107.2625      397.7580 49.66603       162.1448 72.20379 34.34694 59.48782 25.62721 12.71597       42.85401 
1 1 1 26  33 3  o 142.1646 18.42372 660.4772       150.0008 185.0420       374.5767 751.2814       163.6997 83.11110 37.23664 151.3748 18.84628 -68.26373      41.73427 
1 1 1 26  33 4  o 131.1251 19.43861 569.2082       144.9663 461.9756       328.1930 595.2017       161.5840 100.6311 38.99053 132.4938 21.53339 -31.86272      44.54153 
1 1 1 26  33 5  o 64.74970 30.95901 -178.1998      331.8657 -178.1998      331.8657 0.000000       0.000000 64.74970 30.95901 ?        ?        0.000000       30.95901 
1 1 1 26  33 6  o 71.87476 25.02297 178.0839       129.3035 423.8981       378.3782 145.5822       137.5865 96.63263 40.26197 67.59077 25.47457 29.04185       47.64431 
1 1 1 26  33 7  o 72.10065 26.11532 177.8473       142.0995 228.4679       416.7320 171.1873       151.1586 86.19659 38.89125 71.53738 26.75621 14.65921       47.20619 
1 1 1 26  33 8  o 59.55687 25.62566 52.78719       161.7462 -218.6780      440.3749 95.11957       173.9009 71.10908 34.41731 64.70686 27.15104 6.402214       43.83754 
1 1 1 26  33 9  o 79.89548 27.75509 234.3622       159.0373 7.873490       412.3950 273.9304       172.3705 76.60059 35.99380 85.00347 28.91826 -8.402885      46.17163 
1 1 1 26  33 10 o 86.72234 25.72508 275.7413       140.2405 499.9922       390.2886 242.4947       150.2771 100.7800 41.33230 81.17906 26.99781 19.60097       49.36842 
1 1 1 26  33 11 f 186.8244 13.92957 1090.706       151.5251 952.1645       392.4801 1114.972       164.2604 137.0140 43.49172 187.9673 15.02549 -50.95328      46.01408 
1 1 1 26  33 12 o 96.13538 20.82491 316.3152       114.0113 417.8663       383.0242 306.4429       119.4246 95.54504 40.20516 93.77652 22.08207 1.768517       45.87017 
1 1 1 26  33 13 o 122.0758 18.33294 490.4554       127.2027 741.5476       390.9928 460.7337       134.5206 118.3544 43.25227 116.8191 20.37525 1.535255       47.81119 
1 1 1 26  33 14 o 99.86767 23.83373 356.5076       137.6470 529.2700       402.2784 333.5985       146.4893 101.4600 41.82372 95.16343 25.66404 6.296562       49.07001 
1 1 1 26  34 0  o 133.2444 19.27567 590.2048       146.2577 118.6652       370.3031 677.3610       159.2016 78.58399 35.92563 142.6329 19.54520 -64.04891      40.89824 
1 1 1 26  34 1  o 44.31559 20.97805 -117.1142      144.8804 -296.5086      369.0931 -84.43832      157.5234 63.42386 30.88409 48.42781 22.58964 14.99605       38.26380 
1 1 1 26  34 2  o 50.12240 22.88512 -40.62745      149.6460 -506.8378      377.5944 46.24197       162.9927 58.76377 29.11997 58.90215 25.53479 -0.1383858     38.72981 
1 1 1 26  34 3  o 55.83636 24.15600 36.68546       145.2624 57.90986       310.2363 30.72556       164.3972 72.44147 33.02778 57.74604 25.32698 14.69543       41.62078 
1 1 1 26  34 4  o 48.20047 22.24673 -60.98557      146.7353 -162.6368      328.9959 -35.74334      163.9449 64.40569 30.80275 52.61007 23.99512 11.79563       39.04581 
1 1 1 26  34 5  o 100.3038 39.52498 482.8045       341.9469 482.8045       341.9469 0.000000       0.000000 100.3038 39.52498 ?        ?        0.000000       39.52498 
1 1 1 26  34 6  o 55.96507 23.54010 56.29907       131.2175 580.5248       367.1671 -20.45794      140.4959 106.7860 41.27719 50.21005 22.62453 56.57595       47.07097 
1 1 1 26  34 7  o 68.01278 26.54989 144.5170       153.0644 84.12350       394.1371 155.2432       166.1017 78.21092 36.22538 70.00283 27.55880 8.208092       45.51665 
1 1 1 26  34 8  o 58.53461 25.04551 55.17896       152.9050 116.7566       402.2310 44.77737       165.3156 79.95267 36.87719 59.05806 25.65843 20.89461       44.92530 
1 1 1 26  34 9  o 68.57911 26.57475 149.4307       152.4709 109.8439       399.0728 156.1969       164.9875 79.53259 36.70085 70.06533 27.50162 9.467262       45.86166 
1 1 1 26  34 10 o 43.44633 20.63057 -123.6404      142.2429 232.8286       395.9188 -176.4717      152.4196 84.79946 38.11466 42.44721 20.47175 42.35225       43.26453 
1 1 1 26  34 11 o 65.51757 25.25621 133.5799       137.1892 568.9625       397.0646 74.56009       146.1924 103.8319 42.02280 59.53543 24.93183 44.29644       48.86217 
1 1 1 26  35 0  o 104.9870 24.24375 397.4989       146.2602 418.0054       296.1490 390.8836       168.2054 95.59140 37.03810 101.1918 27.58996 -5.600449      46.18470 
1 1 1 26  35 1  o 70.43975 27.04489 165.7807       156.8675 -314.4362      297.9004 350.0247       184.5224 56.15190 27.43117 93.86578 29.82405 -37.71389      40.52089 
1 1 1 26  35 2  o 52.63024 23.67671 -12.03347      153.1622 4.261215       300.0328 -17.77633      178.1190 68.67030 31.73599 55.60712 25.22441 13.06318       40.53942 
1 1 1 26  35 3  o 62.39117 25.39201 102.0554       145.9126 74.82466       302.4074 110.3187       166.5870 72.43629 32.86189 65.04405 26.87324 7.392235       42.45086 
1 1 1 26  35 4  o 89.48789 27.54376 305.1636       158.6828 -112.7839      309.6458 454.0176       184.7926 64.39389 30.53723 108.5178 28.62750 -44.12391      41.85757 
1 1 1 26  35 5  o 45.07954 21.11290 -88.78528      139.9072 -205.2069      324.6593 -62.23457      155.0419 62.27978 29.99675 49.34016 22.80644 12.93962       37.68207 
1 1 1 26  35 6  o 66.56850 25.60606 140.8278       140.8013 171.2446       354.2145 135.1198       153.4451 79.87540 35.96362 66.67439 26.41309 13.20100       44.62100 
1 1 1 26  35 7  o 70.41470 27.36523 163.9562       162.0354 968.8547       391.7742 -2.142346      177.9706 136.0564 43.48262 56.62249 25.49324 79.43386       50.40479 
1 1 1 26  36 0  o 61.45011 26.59570 67.22141       176.2332 0.000000       0.000000 67.22141       176.2332 ?        ?        61.45011 26.59570 0.000000       26.59570 
1 1 1 26  36 1  o 58.50341 25.36599 51.38186       160.8974 -79.36581      316.4976 96.94821       186.8424 65.54395 31.02083 64.93919 27.73323 0.6047516      41.61038 
1 1 1 27  0  0  o 78.98767 48.78822 169.8525       444.6397 169.8525       444.6397 169.8525       444.6397 78.98767 48.78822 78.98767 48.78822 0.000000       0.000000 
1 1 1 27  0  1  o 123.6717 56.40916 690.3611       444.2542 690.3611       444.2542 690.3611       444.2542 123.6717 56.40916 123.6717 56.40916 0.000000       0.000000 
1 1 1 27  0  2  o 244.4626 37.16694 1917.913       496.4082 1917.913       496.4082 1917.913       496.4082 244.4626 37.16694 244.4626 37.16694 0.000000       0.000000 
1 1 1 27  0  3  o 186.9602 51.07355 1274.762       484.0758 1274.762       484.0758 1274.762       484.0758 186.9602 51.07355 186.9602 51.07355 0.000000       0.000000 
1 1 1 27  0  4  o 84.39362 50.81563 244.9283       456.0506 244.9283       456.0506 244.9283       456.0506 84.39362 50.81563 84.39362 50.81563 0.000000       0.000000 
1 1 1 27  0  5  o 510.5909 24.31030 7801.974       724.1947 7801.974       724.1947 7801.974       724.1947 510.5909 24.31030 510.5909 24.31030 0.000000       0.000000 
1 1 1 27  0  6  o 171.9681 56.16088 1156.355       501.6604 1156.355       501.6604 1156.355       501.6604 171.9681 56.16088 171.9681 56.16088 0.000000       0.000000 
1 1 1 27  0  7  o 68.92709 45.42704 -53.34863      470.1928 -53.34863      470.1928 -53.34863      470.1928 68.92709 45.42704 68.92709 45.42704 0.000000       0.000000 
1 1 1 27  0  8  o 92.39714 53.83826 347.8590       482.3739 347.8590       482.3739 347.8590       482.3739 92.39714 53.83826 92.39714 53.83826 0.000000       0.000000 
1 1 1 27  0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  0  10 o 557.1891 27.00780 9343.632       877.8083 9343.632       877.8083 9343.632       877.8083 557.1891 27.00780 557.1891 27.00780 0.000000       0.000000 
1 1 1 27  0  11 f 238.8981 47.50729 1942.338       591.1746 1942.338       591.1746 1942.338       591.1746 238.8981 47.50729 238.8981 47.50729 0.000000       0.000000 
1 1 1 27  0  12 o 125.7186 63.76766 766.5882       586.5217 766.5882       586.5217 766.5882       586.5217 125.7186 63.76766 125.7186 63.76766 0.000000       0.000000 
1 1 1 27  0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  0  14 o 94.11095 56.65303 341.5190       566.5703 341.5190       566.5703 341.5190       566.5703 94.11095 56.65303 94.11095 56.65303 0.000000       0.000000 
1 1 1 27  0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  0  16 o 54.31179 38.22747 -482.0816      476.5443 -482.0816      476.5443 -482.0816      476.5443 54.31179 38.22747 54.31179 38.22747 0.000000       0.000000 
1 1 1 27  0  17 o 67.11712 45.16925 -143.8401      508.3347 -143.8401      508.3347 -143.8401      508.3347 67.11712 45.16925 67.11712 45.16925 0.000000       0.000000 
1 1 1 27  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  0  19 o 315.9448 28.16687 3088.636       511.9271 3088.636       511.9271 3088.636       511.9271 315.9448 28.16687 315.9448 28.16687 0.000000       0.000000 
1 1 1 27  0  20 o 49.99449 35.32617 -452.7597      419.8530 -452.7597      419.8530 -452.7597      419.8530 49.99449 35.32617 49.99449 35.32617 0.000000       0.000000 
1 1 1 27  0  21 o 323.0404 22.33770 3179.760       418.4737 3179.760       418.4737 3179.760       418.4737 323.0404 22.33770 323.0404 22.33770 0.000000       0.000000 
1 1 1 27  0  22 o 103.1350 51.81483 530.5541       385.2679 530.5541       385.2679 530.5541       385.2679 103.1350 51.81483 103.1350 51.81483 0.000000       0.000000 
1 1 1 27  0  23 o 47.47974 33.49446 -372.1754      372.4571 -372.1754      372.4571 -372.1754      372.4571 47.47974 33.49446 47.47974 33.49446 0.000000       0.000000 
1 1 1 27  0  24 o 87.93687 47.70364 389.4786       345.5266 389.4786       345.5266 389.4786       345.5266 87.93687 47.70364 87.93687 47.70364 0.000000       0.000000 
1 1 1 27  0  25 o 101.8258 49.26109 521.1456       342.7958 521.1456       342.7958 521.1456       342.7958 101.8258 49.26109 101.8258 49.26109 0.000000       0.000000 
1 1 1 27  0  26 o 208.1884 27.91984 1407.441       323.7059 1407.441       323.7059 1407.441       323.7059 208.1884 27.91984 208.1884 27.91984 0.000000       0.000000 
1 1 1 27  0  27 o 37.23116 26.69114 -394.0637      274.0590 -394.0637      274.0590 -394.0637      274.0590 37.23116 26.69114 37.23116 26.69114 0.000000       0.000000 
1 1 1 27  0  28 o 42.27523 29.50762 -206.6485      266.9861 -206.6485      266.9861 -206.6485      266.9861 42.27523 29.50762 42.27523 29.50762 0.000000       0.000000 
1 1 1 27  0  29 o 58.33341 37.29430 81.90366       285.2976 81.90366       285.2976 81.90366       285.2976 58.33341 37.29430 58.33341 37.29430 0.000000       0.000000 
1 1 1 27  0  30 o 52.55853 35.18338 -34.83108      300.9876 -34.83108      300.9876 -34.83108      300.9876 52.55853 35.18338 52.55853 35.18338 0.000000       0.000000 
1 1 1 27  0  31 o 40.98076 29.22118 -369.1130      311.2851 -369.1130      311.2851 -369.1130      311.2851 40.98076 29.22118 40.98076 29.22118 0.000000       0.000000 
1 1 1 27  0  32 o 58.60059 38.00858 72.93004       310.4890 72.93004       310.4890 72.93004       310.4890 58.60059 38.00858 58.60059 38.00858 0.000000       0.000000 
1 1 1 27  0  33 o 38.14213 27.45383 -442.7463      302.8258 -442.7463      302.8258 -442.7463      302.8258 38.14213 27.45383 38.14213 27.45383 0.000000       0.000000 
1 1 1 27  0  34 o 49.86077 34.27096 -123.5403      326.6236 -123.5403      326.6236 -123.5403      326.6236 49.86077 34.27096 49.86077 34.27096 0.000000       0.000000 
1 1 1 27  0  35 o 149.0786 50.78720 1017.508       398.1561 1017.508       398.1561 1017.508       398.1561 149.0786 50.78720 149.0786 50.78720 0.000000       0.000000 
1 1 1 27  0  36 o 47.07936 33.51771 -395.5257      403.6340 -395.5257      403.6340 -395.5257      403.6340 47.07936 33.51771 47.07936 33.51771 0.000000       0.000000 
1 1 1 27  1  0  o 70.33270 32.31785 -195.5358      304.8476 -470.3379      436.2668 66.66959       426.1504 76.26696 36.19083 98.85928 42.04039 -22.59232      55.47225 
1 1 1 27  1  1  f 148.9488 35.62930 713.7141       307.0499 929.3265       408.1946 432.7219       465.9909 168.3502 41.58944 125.9574 47.00475 42.39275       62.76247 
1 1 1 27  1  2  o 177.3229 32.30861 991.9641       323.6202 1233.456       456.2975 747.5489       459.0512 194.5126 41.27817 151.1229 46.90513 43.38968       62.48183 
1 1 1 27  1  3  o 295.3844 20.33216 2618.956       350.0775 2442.501       494.1474 2796.755       496.0268 281.2246 30.44572 302.1050 28.32644 -20.88046      41.58520 
1 1 1 27  1  4  o 223.3676 26.75742 1530.937       343.5547 1343.903       455.1931 1778.501       523.6968 203.9525 39.48245 235.4421 39.31189 -31.48953      55.71614 
1 1 1 27  1  5  o 178.6600 33.75763 1013.688       340.7535 1154.122       489.7879 881.9515       474.3779 186.2086 45.29062 162.6655 47.05797 23.54308       65.31227 
1 1 1 27  1  6  o 316.3853 19.79054 3001.463       365.3792 2984.534       528.2498 3016.990       505.9215 311.4889 29.25914 313.9103 27.76669 -2.421478      40.33716 
1 1 1 27  1  7  o 112.7594 40.49374 360.7673       340.7640 256.9262       441.2357 514.2384       536.4130 111.6218 44.60234 134.6393 50.39383 -23.01748      67.29715 
1 1 1 27  1  8  o 102.7106 40.18991 233.2284       351.4213 141.6029       480.6683 338.4445       515.0844 107.5858 45.14113 121.8301 48.35133 -14.24435      66.14811 
1 1 1 27  1  9  o 273.6812 25.57736 2288.501       405.7810 2405.207       556.5175 2156.023       592.9343 275.8765 35.19691 258.0722 40.50809 17.80423       53.66309 
1 1 1 27  1  10 o 723.8144 20.14174 15708.52       854.1856 15925.47       1210.274 15493.18       1205.741 720.7109 28.69066 710.5178 28.99626 10.19318       40.79139 
1 1 1 27  1  11 o 946.9720 23.97964 27162.02       1330.702 27073.17       1866.778 27253.82       1897.390 930.1100 34.28084 932.3887 34.75922 -2.278625      48.81987 
1 1 1 27  1  12 o 853.9895 22.36688 22034.68       1119.269 22435.41       1587.863 21638.93       1577.955 848.8481 31.95276 833.0048 32.36112 15.84332       45.47770 
1 1 1 27  1  13 o 491.1931 19.05394 7243.980       547.8519 7598.475       775.1214 6890.112       774.4382 497.5965 26.65815 472.6392 28.06509 24.95737       38.70796 
1 1 1 27  1  14 o 250.4833 29.85500 1967.160       429.9551 2092.567       595.2859 1830.391       621.6683 251.0757 41.90273 230.7210 47.52586 20.35466       63.36044 
1 1 1 27  1  15 o 201.1013 34.86120 1309.415       396.2636 1309.415       396.2636 0.000000       0.000000 201.1013 34.86120 ?        ?        0.000000       34.86120 
1 1 1 27  1  16 o 231.2931 28.73799 1678.377       381.4423 1678.377       381.4423 0.000000       0.000000 231.2931 28.73799 ?        ?        0.000000       28.73799 
1 1 1 27  1  17 o 220.0701 28.19444 1520.798       355.5457 1120.316       463.8387 2091.338       553.6285 180.0551 44.24612 251.8825 38.71472 -71.82741      58.79242 
1 1 1 27  1  18 o 145.2653 47.32729 734.8671       462.6842 734.8671       462.6842 0.000000       0.000000 145.2653 47.32729 ?        ?        0.000000       47.32729 
1 1 1 27  1  19 o 212.6745 28.45854 1434.587       346.0584 980.2964       438.0631 2188.705       564.4031 166.7820 44.11388 255.8859 38.82660 -89.10396      58.76682 
1 1 1 27  1  20 o 122.9468 36.37231 509.6968       280.6572 792.3252       382.0971 178.5608       413.5891 150.1647 41.83659 100.4648 41.99375 49.69999       59.27711 
1 1 1 27  1  21 o 62.40814 29.79173 -333.9721      304.7112 -529.7408      443.8832 -159.5018      419.0424 72.41100 34.92609 82.72731 37.96792 -10.31631      51.58871 
1 1 1 27  1  22 o 149.7614 31.78999 754.3647       270.5708 780.9752       369.0390 723.4330       397.8759 146.6834 41.20622 139.9831 43.70290 6.700317       60.06576 
1 1 1 27  1  23 o 95.07623 34.84321 280.6422       254.0112 0.9552034      339.0813 638.3086       383.4484 80.96366 35.90366 130.8757 43.11061 -49.91199      56.10346 
1 1 1 27  1  24 o 85.03572 33.12374 194.1529       237.8361 153.4302       337.7340 234.2154       334.9850 89.48020 37.70892 94.94427 38.53530 -5.464066      53.91597 
1 1 1 27  1  25 o 106.0773 33.68228 393.3417       235.3846 529.8870       345.6562 275.2654       321.4306 119.2851 40.94161 96.62220 38.24380 22.66290       56.02503 
1 1 1 27  1  26 o 85.81841 32.60644 218.0232       226.4751 447.1327       323.2382 -2.898490      317.4098 110.9688 39.48529 77.17732 34.44907 33.79152       52.40063 
1 1 1 27  1  27 o 110.5494 30.09285 427.3478       200.2962 601.2941       288.3175 265.0896       278.4626 126.9593 36.67393 92.44095 35.88814 34.51833       51.31214 
1 1 1 27  1  28 o 68.30593 28.40123 83.07459       187.7256 -133.7429      275.9668 269.8157       256.1119 64.79504 30.11474 91.07958 34.65805 -26.28454      45.91381 
1 1 1 27  1  29 o 181.7701 19.94071 1052.311       209.0900 966.6473       305.2636 1128.020       286.9787 163.6484 32.94751 181.9192 27.77728 -18.27077      43.09426 
1 1 1 27  1  30 o 88.65762 32.27048 268.3077       217.3368 16.20074       310.7402 509.7380       304.0891 75.41010 33.84085 113.5117 38.41198 -38.10164      51.19261 
1 1 1 27  1  31 o 85.99554 32.35856 247.5436       221.7939 363.5783       313.4003 131.1177       313.9281 98.85391 38.15561 81.79884 35.44924 17.05507       52.08166 
1 1 1 27  1  32 o 90.39332 32.10074 293.5544       213.5435 336.3259       290.9871 243.6367       314.3573 95.49599 36.79062 88.77325 36.81825 6.722740       52.04934 
1 1 1 27  1  33 o 69.28054 29.97019 68.68833       223.5744 -373.8165      313.4749 526.8157       318.9605 58.33833 28.41987 111.8261 39.27485 -53.48779      48.47889 
1 1 1 27  1  34 f 76.62930 31.79397 154.2204       234.5436 429.9308       340.6562 -94.27280      323.4052 102.0263 39.67043 69.33469 32.35039 32.69160       51.18878 
1 1 1 27  1  35 o 48.04102 23.91744 -529.2296      266.6160 -708.6414      375.3017 -346.4314      378.8271 55.89665 27.91450 65.03484 31.58158 -9.138191      42.14992 
1 1 1 27  1  36 f 108.4830 37.53849 497.8292       290.7869 596.3748       402.7766 390.5481       420.2493 112.0869 43.25753 98.27097 41.76770 13.81588       60.13114 
1 1 1 27  2  0  o 116.1711 38.83899 409.1051       310.9337 157.6223       422.1068 707.4482       459.7547 103.9499 42.84529 147.6498 47.09530 -43.69983      63.66857 
1 1 1 27  2  1  o 55.01571 27.04156 -597.9274      303.4166 -388.0720      400.2625 -881.4211      465.2178 74.79353 35.24257 68.25641 33.53662 6.537117       48.64919 
1 1 1 27  2  2  o 262.7457 23.35898 2090.328       356.2000 1711.478       483.0179 2541.976       527.3871 232.1859 36.68866 286.2359 31.96109 -54.04993      48.65768 
1 1 1 27  2  3  o 101.4553 38.21524 255.5009       309.5220 335.5443       394.4383 127.2177       499.3455 114.2706 43.11861 108.8281 45.85663 5.442490       62.94478 
1 1 1 27  2  4  f 305.0588 20.68420 2795.511       367.8722 2819.176       504.1573 2768.563       537.9887 303.0718 28.70634 299.1689 31.11651 3.902893       42.33546 
1 1 1 27  2  5  o 193.3993 30.26830 1167.844       332.0653 988.6071       451.3199 1379.400       490.3234 172.5474 44.35666 205.3495 42.12757 -32.80209      61.17389 
1 1 1 27  2  6  o 98.62955 38.35394 215.3307       318.4490 233.3043       417.3301 190.2779       492.7078 108.2840 43.34058 111.6001 46.17237 -3.316170      63.32688 
1 1 1 27  2  7  o 128.9211 41.34717 527.4233       354.0067 358.9723       464.5749 760.6644       546.6650 120.1089 46.42979 152.6197 51.50274 -32.51077      69.34160 
1 1 1 27  2  8  o 163.4766 37.08850 867.4465       347.3953 922.3403       452.5757 788.7124       542.0142 165.9588 45.25911 154.4770 51.26976 11.48180       68.38841 
1 1 1 27  2  9  o 238.9668 28.31155 1765.463       389.0826 1589.255       513.1613 2003.743       596.7399 220.4853 41.19927 247.3238 42.68238 -26.83850      59.32256 
1 1 1 27  2  10 o 894.4011 22.93614 24138.81       1202.111 23157.32       1638.463 25283.09       1769.131 863.9948 32.39252 901.0604 33.53622 -37.06561      46.62567 
1 1 1 27  2  11 o 133.6550 44.73900 572.9414       412.5597 20.61326       557.0898 1243.749       613.9395 107.0956 46.80561 187.9187 53.27305 -80.82314      70.91392 
1 1 1 27  2  12 o 672.7368 19.78086 13592.52       779.5948 13144.11       1060.700 14119.33       1149.697 654.1510 27.71079 676.5168 29.04472 -22.36584      40.14329 
1 1 1 27  2  13 o 340.2996 23.78621 3530.385       471.7305 4014.211       665.4495 3041.648       668.8186 357.5713 32.07265 306.9175 37.96529 50.65381       49.69927 
1 1 1 27  2  14 o 378.3817 30.00061 4464.672       660.3040 4464.672       660.3040 0.000000       0.000000 378.3817 30.00061 ?        ?        0.000000       30.00061 
1 1 1 27  2  15 o 278.4733 25.30263 2388.143       408.7304 2388.143       408.7304 0.000000       0.000000 278.4733 25.30263 ?        ?        0.000000       25.30263 
1 1 1 27  2  16 o 156.1586 39.34741 819.5534       360.1494 722.4526       481.0399 943.4053       543.2766 145.4537 48.30073 162.9909 51.09473 -17.53722      70.31097 
1 1 1 27  2  17 o 155.4476 34.79784 795.7015       309.3179 694.4752       369.2902 1033.678       566.2236 142.9652 41.56728 169.0993 52.02660 -26.13412      66.59284 
1 1 1 27  2  18 o 124.3679 41.91990 507.9726       362.1612 186.1852       454.8577 1065.258       598.5905 105.2405 44.01804 169.6750 53.69278 -64.43449      69.42983 
1 1 1 27  2  19 o 139.6158 40.24724 669.5490       347.5715 769.8837       450.3271 521.7109       546.6329 147.3387 46.56414 129.9331 50.32668 17.40555       68.56380 
1 1 1 27  2  20 o 74.71095 33.23538 -49.75904      292.8616 457.8332       374.5041 -848.7822      469.8712 118.7384 42.47364 67.60284 33.31069 51.13556       53.97789 
1 1 1 27  2  21 o 148.8812 31.89844 739.2750       270.1403 673.6168       370.9742 813.3932       394.1505 137.3179 42.08663 150.1098 42.72872 -12.79192      59.97522 
1 1 1 27  2  22 o 168.8299 41.32085 1031.545       405.7623 0.000000       0.000000 1031.545       405.7623 ?        ?        168.8299 41.32085 0.000000       41.32085 
1 1 1 27  2  23 f 74.93919 32.14796 50.67337       253.1300 -22.95693      335.1272 148.4821       386.2516 79.20944 35.37398 93.44053 39.88908 -14.23109      53.31470 
1 1 1 27  2  24 o 97.95195 33.93557 318.8449       237.6774 -25.44883      330.4789 687.7223       342.0740 78.08445 34.98097 135.9039 40.14237 -57.81940      53.24546 
1 1 1 27  2  25 o 74.37893 30.82578 99.32339       220.1322 -98.22409      302.6043 321.3725       320.8218 70.85373 32.42350 100.3113 38.63462 -29.45756      50.43726 
1 1 1 27  2  26 o 108.2512 32.17420 411.8347       219.1979 307.5063       298.1459 534.5660       323.3741 97.71449 37.34293 119.3518 39.60087 -21.63736      54.43090 
1 1 1 27  2  27 o 57.31266 26.20282 -81.60841      197.0305 39.76965       283.4747 -195.0502      274.0507 75.76299 33.24257 62.13887 29.24313 13.62413       44.27448 
1 1 1 27  2  28 o 65.73318 27.85915 57.07737       186.0661 -96.58201      273.9092 188.7366       253.5437 66.36270 30.54484 83.51428 33.65838 -17.15158      45.45189 
1 1 1 27  2  29 o 77.21642 30.36958 164.5529       201.5426 638.9141       299.7523 -226.8244      272.2737 128.2980 37.49173 59.88112 28.46573 68.41684       47.07364 
1 1 1 27  2  30 o 74.68048 30.39901 136.0725       209.1756 69.06494       303.7477 196.5133       288.4804 77.80763 34.26571 85.31297 35.31648 -7.505333      49.20764 
1 1 1 27  2  31 o 82.82054 31.76990 219.3549       216.3357 -55.87849      307.2249 490.0488       304.6808 70.77885 32.49367 110.4750 38.41409 -39.69618      50.31383 
1 1 1 27  2  32 o 149.5760 25.45374 764.4841       215.2971 764.4346       298.9215 764.5376       310.3521 139.3775 36.23698 138.0705 37.40635 1.306976       52.08026 
1 1 1 27  2  33 o 75.92286 30.99640 155.1201       218.2558 -92.62591      308.4757 403.4604       308.8454 68.35514 31.79305 100.7226 38.12132 -32.36742      49.63902 
1 1 1 27  2  34 o 71.95635 31.15212 86.85902       241.9361 -187.2894      339.2573 370.5589       345.1166 67.00858 31.83123 97.40006 39.26395 -30.39148      50.54587 
1 1 1 27  2  35 f 118.3506 38.51622 600.9055       306.4861 335.1910       367.5048 1207.810       555.4125 94.54384 39.55667 145.6465 51.76533 -51.10265      65.14890 
1 1 1 27  2  36 o 81.99096 36.30230 144.5711       345.3197 345.4748       415.7438 -302.4097      620.1206 95.60301 41.10892 81.45896 39.74692 14.14405       57.18183 
1 1 1 27  3  0  o 72.36278 32.90712 -156.6683      305.4832 -159.6345      412.3421 -153.0596      454.8105 85.63496 38.65743 90.61922 40.78059 -4.984261      56.19122 
1 1 1 27  3  1  o 56.45014 27.69292 -596.8672      313.3646 -844.3713      440.9001 -344.2126      445.4640 66.32094 32.59815 81.75320 38.08556 -15.43226      50.13132 
1 1 1 27  3  2  o 75.69898 33.96276 -112.6122      312.7870 89.32867       406.0199 -407.4211      490.5750 98.17717 41.35827 84.48308 39.55695 13.69409       57.22988 
1 1 1 27  3  3  o 85.86357 36.58301 33.84613       323.7570 106.4744       425.1733 -66.38319      499.4714 101.0172 42.42467 99.05132 43.76695 1.965889       60.95407 
1 1 1 27  3  4  o 487.1892 16.92976 7062.507       482.9904 6587.855       655.1874 7627.466       714.8027 467.1021 23.99724 502.4927 24.32754 -35.39059      34.17158 
1 1 1 27  3  5  o 324.4298 19.81060 3155.435       375.1402 3172.189       490.8176 3131.897       581.7563 322.7067 26.15758 317.9499 31.61687 4.756775       41.03469 
1 1 1 27  3  6  o 183.5820 32.12964 1063.709       333.3340 923.1513       430.9415 1273.063       525.9338 166.7722 43.58369 194.7832 46.65432 -28.01093      63.84485 
1 1 1 27  3  7  o 82.82211 36.23072 -32.62504      334.4787 -100.1755      421.9226 81.63210       548.7319 89.25066 39.78584 110.1081 47.28550 -20.85743      61.79669 
1 1 1 27  3  8  o 185.2480 34.19151 1094.554       357.7873 1342.912       475.5813 770.6854       543.0871 202.2569 41.48621 153.0152 51.33225 49.24162       66.00080 
1 1 1 27  3  9  f 126.6032 41.76133 504.9659       359.7776 543.0641       452.0113 439.1032       594.3156 132.8402 46.74621 132.1491 52.09715 0.6911316      69.99515 
1 1 1 27  3  10 o 298.3318 24.81128 2714.238       430.1837 2428.551       558.9662 3129.268       673.7207 276.7839 35.23194 313.2019 37.41729 -36.41800      51.39400 
1 1 1 27  3  11 o 468.8054 19.43468 6595.484       533.1846 7047.894       738.5470 6103.023       770.5442 480.1205 26.32953 444.1765 29.75110 35.94391       39.72873 
1 1 1 27  3  12 o 163.1353 44.26180 903.1432       434.1545 678.2798       585.5139 1177.768       647.0642 145.4639 52.96427 181.2174 55.59139 -35.75346      76.78292 
1 1 1 27  3  13 o 362.9410 22.84905 4003.149       483.8883 4548.731       651.6867 3332.729       722.4073 382.7867 29.25051 320.3138 39.27627 62.47290       48.97160 
1 1 1 27  3  14 o 243.9820 40.78127 1968.845       562.9574 1968.845       562.9574 0.000000       0.000000 243.9820 40.78127 ?        ?        0.000000       40.78127 
1 1 1 27  3  15 o 352.1317 34.72795 3959.542       707.8657 3959.542       707.8657 0.000000       0.000000 352.1317 34.72795 ?        ?        0.000000       34.72795 
1 1 1 27  3  16 o 286.5093 19.48354 2481.231       325.4361 2827.340       398.6878 1790.175       563.3567 304.4485 22.48769 229.9285 43.36710 74.51994       48.85081 
1 1 1 27  3  17 o 77.45498 34.05579 -30.02495      298.9273 114.1483       366.4492 -316.7750      516.8008 93.84679 39.39795 88.31536 41.10199 5.531425       56.93481 
1 1 1 27  3  18 o 232.8125 23.42221 1671.968       315.4632 1596.388       388.1329 1819.073       541.4906 223.8079 30.35172 231.7906 41.35007 -7.982788      51.29381 
1 1 1 27  3  19 o 142.4182 39.69705 696.9566       343.9277 833.1353       459.3056 523.1448       518.9037 152.5301 46.84494 128.9446 49.26809 23.58548       67.98377 
1 1 1 27  3  20 o 56.26467 27.32214 -430.5947      283.4939 -503.5328      376.5524 -335.1587      430.7289 66.05784 31.93695 77.71134 36.59949 -11.65350      48.57459 
1 1 1 27  3  21 o 58.99688 28.34759 -354.3518      285.9333 -808.1146      373.3153 289.6500       444.7387 57.40759 28.53434 107.9516 44.18011 -50.54404      52.59364 
1 1 1 27  3  22 o 75.54708 32.66633 32.89150       265.3714 -174.0602      347.3826 322.9049       411.2279 73.70372 34.09261 107.1220 42.97231 -33.41824      54.85367 
1 1 1 27  3  23 o 92.01097 34.52799 252.3452       252.1598 256.6331       332.6130 246.5500       386.6784 97.05715 38.74427 99.50340 41.00972 -2.446243      56.41733 
1 1 1 27  3  24 o 72.17622 30.83877 53.21201       231.2302 -74.43333      307.9979 218.0825       350.0392 73.03804 33.14651 94.58245 39.00373 -21.54441      51.18576 
1 1 1 27  3  25 o 131.5726 29.69250 591.9199       223.6615 441.2292       295.2888 794.7184       342.5594 110.8725 37.84729 145.8190 39.21100 -34.94657      54.49697 
1 1 1 27  3  26 o 66.50389 29.00366 15.48437       212.9344 196.1923       286.0996 -208.9216      318.8202 87.65620 35.59965 67.30602 31.63312 20.35018       47.62341 
1 1 1 27  3  27 o 66.26088 28.66078 31.14242       204.4206 41.09790       289.7681 21.27900       288.4252 76.39833 33.56265 75.05044 33.20581 1.347893       47.21310 
1 1 1 27  3  28 o 75.06221 29.45055 150.6411       189.1320 207.0096       272.8943 98.53949       262.3626 86.21269 34.85736 77.02481 32.87815 9.187881       47.91669 
1 1 1 27  3  29 o 63.34078 27.73968 14.61366       196.5595 -106.4119      291.6478 115.3379       266.0646 67.55297 31.24422 78.18998 33.23334 -10.63701      45.61421 
1 1 1 27  3  30 o 122.7798 28.89153 533.0983       204.5494 679.7969       300.1264 405.8488       279.5243 131.7686 37.21080 103.4676 36.72838 28.30097       52.28401 
1 1 1 27  3  31 o 68.62337 29.18174 76.20472       205.3216 467.7062       308.5228 -235.0286      275.0829 108.1047 38.56427 59.25340 28.29141 48.85130       47.82893 
1 1 1 27  3  32 o 135.2045 27.38230 641.5181       209.6726 818.9284       303.3908 479.3121       290.0991 144.7584 35.91021 108.9506 37.50320 35.80779       51.92334 
1 1 1 27  3  33 o 86.98488 32.05216 267.5643       215.4213 255.1804       312.0269 278.8428       297.7760 88.81705 36.74479 90.13540 36.42314 -1.318344      51.73804 
1 1 1 27  3  34 o 54.79410 26.10093 -191.8096      231.2980 -92.64672      325.0024 -293.5806      329.2486 69.46885 32.41867 62.25343 30.04000 7.215420       44.19696 
1 1 1 27  3  35 o 52.97962 26.05344 -419.8002      282.7576 -756.0655      364.7248 86.77339       447.6571 53.90432 27.00790 84.71977 39.01389 -30.81545      47.45008 
1 1 1 27  3  36 o 86.75230 37.10883 233.9191       335.5030 392.8857       421.4487 -41.12765      554.3641 98.24999 41.79551 84.86815 40.42136 13.38184       58.14423 
1 1 1 27  4  0  o 436.1121 25.72764 5768.240       655.1108 0.000000       0.000000 5768.240       655.1108 ?        ?        436.1121 25.72764 0.000000       25.72764 
1 1 1 27  4  1  o 72.86642 32.98288 -139.0180      302.5821 -332.3861      405.3878 104.2244       454.6716 77.46626 36.16920 103.5918 43.70953 -26.12553      56.73388 
1 1 1 27  4  2  o 140.4415 38.11692 638.8621       321.9127 521.5554       417.7708 810.3071       505.0553 130.6008 45.00335 156.5548 49.29088 -25.95398      66.74498 
1 1 1 27  4  3  o 230.6460 24.79194 1622.010       330.0979 1754.537       421.9974 1413.077       529.8580 237.5248 31.03514 206.5229 45.01958 31.00192       54.68037 
1 1 1 27  4  4  f 73.07787 33.16193 -148.9605      308.2090 52.02707       398.6111 -447.7549      486.0164 95.09789 40.55722 82.53042 38.87171 12.56747       56.17738 
1 1 1 27  4  5  o 325.4958 20.08374 3179.010       381.5226 3244.511       490.1695 3078.339       607.6822 326.4634 25.81113 314.0533 33.51017 12.41013       42.29830 
1 1 1 27  4  6  o 268.8070 22.40559 2185.667       350.0127 2318.024       449.2837 1981.311       558.2639 274.4457 28.31968 247.9946 39.72409 26.45111       48.78532 
1 1 1 27  4  7  o 137.5067 40.13309 615.3865       343.6627 478.6587       433.1198 847.7712       564.6553 127.1989 45.65580 159.2314 52.30775 -32.03251      69.43021 
1 1 1 27  4  8  o 112.9789 40.45833 366.3436       339.9069 264.6545       428.2709 539.4275       558.7402 110.8852 44.06256 136.8487 51.38795 -25.96348      67.69218 
1 1 1 27  4  9  o 107.5453 41.39581 281.6927       368.1615 -11.05449      469.9716 746.7060       592.3221 98.24079 42.96179 151.7406 53.50223 -53.49978      68.61636 
1 1 1 27  4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  4  11 o 709.1043 20.23937 15111.03       840.8395 14490.97       1132.355 15873.16       1255.394 686.6391 28.17911 716.5806 29.93797 -29.94147      41.11379 
1 1 1 27  4  12 o 826.8853 32.82716 21401.90       1588.785 0.000000       0.000000 21401.90       1588.785 ?        ?        826.8853 32.82716 0.000000       32.82716 
1 1 1 27  4  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  4  14 o 232.1147 30.58155 1699.907       406.1880 1699.907       406.1880 0.000000       0.000000 232.1147 30.58155 ?        ?        0.000000       30.58155 
1 1 1 27  4  15 o 192.1346 37.93642 1219.279       412.3000 1219.279       412.3000 0.000000       0.000000 192.1346 37.93642 ?        ?        0.000000       37.93642 
1 1 1 27  4  16 o 199.6051 26.68120 1244.833       304.5245 1310.687       376.5576 1120.354       517.7115 201.8245 32.94894 178.0062 48.34942 23.81830       58.50897 
1 1 1 27  4  17 o 90.61038 36.16628 169.8132       289.7865 142.7635       357.1358 221.9485       495.8141 94.79613 39.27334 110.5702 46.08023 -15.77407      60.54571 
1 1 1 27  4  18 o 274.2858 19.03945 2279.649       304.3716 2383.780       390.4849 2118.428       485.8764 277.8030 24.20872 256.2853 33.09805 21.51773       41.00662 
1 1 1 27  4  19 o 99.12614 36.69713 280.3423       282.9562 115.0508       339.3231 657.6364       512.6584 90.45209 37.93833 137.9714 49.65282 -47.51933      62.48775 
1 1 1 27  4  20 o 68.22857 31.54463 -178.4710      296.8659 -246.7090      381.8039 -74.14644      472.0855 75.58108 35.22663 91.84001 41.41957 -16.25893      54.37368 
1 1 1 27  4  21 o 83.49697 34.45334 123.3492       273.3510 -60.30798      369.9703 344.1282       405.6410 81.98755 36.84816 109.2998 43.05543 -27.31229      56.67060 
1 1 1 27  4  22 o 126.7469 36.82354 565.9366       289.9115 783.7050       372.7504 232.5107       461.2329 146.1423 41.53707 103.9447 43.94940 42.19765       60.47213 
1 1 1 27  4  23 o 61.11204 28.52352 -174.4725      251.7625 180.9282       326.4972 -695.7333      395.4102 90.91615 37.59774 61.69379 30.42922 29.22235       48.36866 
1 1 1 27  4  24 o 103.0392 33.88383 364.8083       236.9147 94.97610       322.2928 682.0264       349.4482 84.18792 36.19767 134.6492 40.76365 -50.46130      54.51556 
1 1 1 27  4  25 o 125.1297 40.65710 592.9111       341.5786 0.000000       0.000000 592.9111       341.5786 ?        ?        125.1297 40.65710 0.000000       40.65710 
1 1 1 27  4  26 o 95.28466 31.48242 309.5962       204.4386 297.8933       267.1598 326.1322       317.5709 95.49798 35.60016 99.81384 38.43959 -4.315865      52.39250 
1 1 1 27  4  27 o 57.77401 26.23571 -64.38876      193.3262 -113.7111      258.7472 -2.058490      290.8730 63.99339 29.53799 73.82397 32.96321 -9.830585      44.26134 
1 1 1 27  4  28 o 39.43111 19.74373 -489.8057      193.4548 -692.7669      282.3772 -310.2879      265.5687 47.24382 23.68412 55.89099 26.97212 -8.647175      35.89475 
1 1 1 27  4  29 o 99.53666 31.20632 355.2390       202.6479 512.1085       297.4127 219.2971       276.8643 114.6398 37.97593 86.92155 35.12218 27.71828       51.72755 
1 1 1 27  4  30 o 132.9020 27.64893 613.8242       208.4797 744.4528       310.1230 506.1153       281.6053 137.8278 37.41446 113.8242 36.91058 24.00367       52.55695 
1 1 1 27  4  31 o 89.49632 31.28520 283.8530       202.2363 -19.65703      296.4981 547.9031       276.5531 71.47910 32.47165 117.7508 36.38297 -46.27168      48.76605 
1 1 1 27  4  32 o 54.13149 25.33852 -125.4163      201.0536 -133.4510      297.2933 -118.6445      272.9316 65.62538 30.74871 63.67187 29.71175 1.953514       42.75829 
1 1 1 27  4  33 o 55.87945 26.09252 -116.5438      211.0464 -144.0889      307.2755 -91.94609      290.3708 65.91872 31.00425 66.53452 30.91211 -0.6157913     43.78152 
1 1 1 27  4  34 f 62.15634 28.32531 -39.17430      227.8437 -11.89676      317.5466 -68.11879      327.1054 72.47828 33.18475 70.66224 32.82281 1.816040       46.67509 
1 1 1 27  4  35 f 95.85180 35.14267 360.6914       258.4399 446.7105       352.6808 260.9336       379.8027 102.2771 40.18983 90.19687 39.04032 12.08025       56.03008 
1 1 1 27  4  36 o 69.21548 31.84561 -31.36559      297.3336 179.6514       424.6129 -234.3875      416.4913 87.16756 39.29982 71.09379 34.17365 16.07377       52.07989 
1 1 1 27  5  0  o 279.6644 20.95023 2353.588       341.1211 2205.739       427.6621 2612.178       565.5831 268.1927 27.58240 288.9547 34.02617 -20.76190      43.80148 
1 1 1 27  5  1  o 414.2838 17.28439 5112.983       419.0323 6124.906       598.7990 4141.897       586.5920 450.9847 22.71271 368.4174 27.34340 82.56726       35.54615 
1 1 1 27  5  2  o 115.9658 38.77499 408.9333       309.9085 456.5383       394.7830 332.4894       500.2693 124.0481 43.68399 120.8841 47.75375 3.163933       64.72025 
1 1 1 27  5  3  o 394.4168 17.40625 4636.903       401.6430 4556.920       531.2711 4743.595       613.6010 388.4547 23.42873 394.6904 26.66463 -6.235718      35.49518 
1 1 1 27  5  4  o 65.76445 30.97068 -304.9792      308.3304 -82.26578      366.5853 -843.4934      570.0334 83.98405 37.28241 80.13833 38.87501 3.845726       53.86320 
1 1 1 27  5  5  o 67.82047 31.86009 -303.4502      322.7566 -105.3347      389.3262 -738.8240      577.1456 85.38733 38.13050 83.37540 40.11595 2.011925       55.34641 
1 1 1 27  5  6  o 353.0033 19.35655 3733.965       399.2013 3528.519       493.9256 4120.961       677.9008 340.7540 24.88714 364.3215 32.05360 -23.56757      40.58083 
1 1 1 27  5  7  o 96.92097 38.44262 189.3457       325.4187 243.0512       391.8409 69.97044       584.1947 106.6098 42.21629 112.1849 48.48797 -5.575165      64.29073 
1 1 1 27  5  8  o 388.7627 19.43044 4530.974       441.6101 4392.715       550.8389 4779.702       738.8238 380.1495 24.84309 391.8478 32.43984 -11.69824      40.85979 
1 1 1 27  5  9  o 211.1038 30.34846 1395.727       364.9507 1372.743       447.6356 1441.288       630.2473 205.5339 38.55142 203.1816 52.51260 2.352249       65.14434 
1 1 1 27  5  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  5  11 o 457.8713 19.67959 6301.261       527.2237 6709.438       686.7838 5715.538       822.7012 468.9816 25.06072 426.6125 33.14177 42.36911       41.55017 
1 1 1 27  5  12 o 190.4688 50.78136 1278.135       577.5861 1278.135       577.5861 0.000000       0.000000 190.4688 50.78136 ?        ?        0.000000       50.78136 
1 1 1 27  5  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  5  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  5  15 o 250.2930 41.83566 2093.063       592.4510 2093.063       592.4510 0.000000       0.000000 250.2930 41.83566 ?        ?        0.000000       41.83566 
1 1 1 27  5  16 o 194.6631 26.92529 1186.869       299.1714 1202.139       382.8380 1162.917       479.4730 191.7771 35.34004 183.1431 44.97403 8.633957       57.19774 
1 1 1 27  5  17 o 122.2031 42.83175 477.5115       379.2206 477.5115       379.2206 0.000000       0.000000 122.2031 42.83175 ?        ?        0.000000       42.83175 
1 1 1 27  5  18 o 248.7273 20.99411 1890.960       303.3899 1840.772       370.1950 1993.619       529.4570 242.5477 26.45275 244.7815 38.12189 -2.233841      46.40071 
1 1 1 27  5  19 o 178.2615 27.80051 1013.510       281.1647 1090.504       344.1761 859.0411       487.4989 181.9363 33.48968 153.5801 48.43628 28.35620       58.88660 
1 1 1 27  5  20 o 72.36360 31.61818 -4.428887      254.0762 49.90627       319.8115 -97.40745      418.3551 83.53317 35.98861 85.62554 38.76812 -2.092369      52.89751 
1 1 1 27  5  21 o 173.5573 28.70463 982.0057       281.9720 1007.818       379.0976 950.0417       421.8583 169.0598 39.02539 160.6833 43.64478 8.376511       58.54782 
1 1 1 27  5  22 o 73.95201 32.49646 1.348004       271.8129 92.48490       349.0995 -138.9654      433.1634 87.47482 37.64270 83.55518 38.44108 3.919647       53.80231 
1 1 1 27  5  23 o 65.09820 29.55599 -81.71716      245.2101 -179.7029      322.6104 52.33891       377.3463 69.87498 32.50446 86.85124 38.22234 -16.97626      50.17457 
1 1 1 27  5  24 o 95.25304 33.04795 300.3020       225.4431 -85.72457      301.4827 789.9699       339.5507 71.54163 32.59473 146.1157 38.92641 -74.57407      50.77088 
1 1 1 27  5  25 o 109.4611 34.39425 425.5724       246.0304 381.8509       339.9884 473.6371       356.4760 105.6436 39.99415 113.7022 41.33743 -8.058548      57.51795 
1 1 1 27  5  26 o 76.70568 34.37526 -9.643033      319.4351 0.000000       0.000000 -9.643033      319.4351 ?        ?        76.70568 34.37526 0.000000       34.37526 
1 1 1 27  5  27 o 55.19562 25.39961 -94.00797      189.2629 34.73227       255.1984 -251.3672      282.1414 72.26235 31.62827 60.59836 28.85493 11.66399       42.81302 
1 1 1 27  5  28 o 49.26986 23.38621 -174.9778      182.4085 -250.8125      258.9340 -100.2682      257.0058 57.26186 27.37001 63.97559 29.49705 -6.713730      40.23920 
1 1 1 27  5  29 o 55.45561 25.65293 -101.8657      196.7150 -230.3804      270.2127 43.04639       286.9337 59.35895 28.25731 75.05642 33.16827 -15.69747      43.57304 
1 1 1 27  5  30 o 86.17393 31.41474 250.7797       206.0758 109.9221       286.2201 402.3923       296.9461 78.79173 33.99671 102.7950 37.67286 -24.00322      50.74466 
1 1 1 27  5  31 o 64.05646 28.12668 22.48556       203.2742 -221.4709      291.2473 254.1937       283.8418 61.58002 29.32082 88.63338 35.65086 -27.05336      46.15944 
1 1 1 27  5  32 o 74.33814 30.07085 148.2874       203.2046 254.8790       295.6495 52.84669       279.7580 88.46500 36.09138 73.50220 32.60253 14.96279       48.63654 
1 1 1 27  5  33 o 80.07280 30.94038 206.5270       206.2438 161.6685       298.4217 247.5452       285.3618 81.49369 34.93172 87.10572 35.48758 -5.612030      49.79552 
1 1 1 27  5  34 o 92.53092 33.35996 323.5703       231.5382 574.9252       321.7137 53.47231       333.4928 115.0207 39.49753 76.87826 34.72924 38.14245       52.59444 
1 1 1 27  5  35 f 59.47524 27.99344 -138.7205      251.2812 -256.0084      359.8821 -27.14158      351.0144 66.03809 31.74938 73.99902 34.24365 -7.960930      46.69744 
1 1 1 27  5  36 o 59.82647 28.34534 -163.3408      265.6164 -292.7334      409.7607 -69.56834      348.8296 68.73515 33.25171 71.66660 33.49088 -2.931458      47.19444 
1 1 1 27  6  0  f 234.4286 22.04004 1662.891       299.4668 1591.398       376.2422 1786.481       494.6810 226.7949 28.94558 236.9312 36.79321 -10.13629      46.81439 
1 1 1 27  6  1  o 197.2514 27.20661 1201.433       306.3617 1254.456       378.3080 1100.406       522.1978 199.1600 33.58185 180.4407 48.36487 18.71927       58.88040 
1 1 1 27  6  2  o 137.7677 37.17987 614.4487       307.3177 628.2806       379.2261 587.9875       524.5198 139.1903 42.53149 139.4247 50.21780 -0.2344208     65.80847 
1 1 1 27  6  3  o 68.80910 31.85138 -222.0910      304.0168 -351.5064      372.0637 37.90987       527.3654 72.47140 34.09570 106.2827 46.00313 -33.81134      57.26085 
1 1 1 27  6  4  o 88.23198 36.76335 85.31366       315.4948 -138.1314      378.3502 595.2893       571.5884 82.45985 37.14436 141.4297 52.19326 -58.96983      64.06122 
1 1 1 27  6  5  o 179.3331 31.10248 1013.483       315.2665 954.3945       380.7125 1142.422       562.3875 170.9621 38.85518 182.5154 50.72107 -11.55324      63.89328 
1 1 1 27  6  6  f 359.7028 19.06610 3875.733       400.7764 3994.630       503.5067 3670.158       662.0729 363.0963 23.77544 342.6963 33.36357 20.40009       40.96827 
1 1 1 27  6  7  f 628.6241 18.65230 11810.67       686.8997 11169.80       897.7513 12715.66       1066.827 606.5369 25.29312 644.4676 28.29451 -37.93066      37.95156 
1 1 1 27  6  8  o 181.4237 33.16223 1048.946       339.8501 1044.947       403.9777 1058.628       628.6170 178.3299 39.65222 174.2839 55.00654 4.045944       67.80869 
1 1 1 27  6  9  o 137.1212 40.57549 617.0870       349.2357 633.9633       409.3954 571.9868       669.2583 139.1100 44.44880 142.5634 55.55535 -3.453354      71.14838 
1 1 1 27  6  10 o 311.6402 38.14906 3125.310       682.7264 0.000000       0.000000 3125.310       682.7264 ?        ?        311.6402 38.14906 0.000000       38.14906 
1 1 1 27  6  11 o 339.2090 27.73061 3553.491       546.8571 3553.491       546.8571 0.000000       0.000000 339.2090 27.73061 ?        ?        0.000000       27.73061 
1 1 1 27  6  12 o 317.4925 28.25292 3125.960       520.5854 3125.960       520.5854 0.000000       0.000000 317.4925 28.25292 ?        ?        0.000000       28.25292 
1 1 1 27  6  13 o 319.6465 33.68870 3246.241       622.0593 3246.241       622.0593 0.000000       0.000000 319.6465 33.68870 ?        ?        0.000000       33.68870 
1 1 1 27  6  14 o 257.7068 36.14665 2149.006       531.3167 2149.006       531.3167 0.000000       0.000000 257.7068 36.14665 ?        ?        0.000000       36.14665 
1 1 1 27  6  15 o 226.0320 30.61812 1618.944       395.4541 1618.944       395.4541 0.000000       0.000000 226.0320 30.61812 ?        ?        0.000000       30.61812 
1 1 1 27  6  16 o 181.2150 37.49229 1091.173       385.3114 1091.173       385.3114 0.000000       0.000000 181.2150 37.49229 ?        ?        0.000000       37.49229 
1 1 1 27  6  17 o 152.2835 41.13218 796.5179       375.9358 796.5179       375.9358 0.000000       0.000000 152.2835 41.13218 ?        ?        0.000000       41.13218 
1 1 1 27  6  18 o 128.0077 37.39503 552.2594       298.2495 579.3918       368.8331 501.0011       506.9535 130.4733 42.23673 127.1953 48.67327 3.278030       64.44400 
1 1 1 27  6  19 o 55.44005 26.86412 -400.0649      270.2620 -188.0974      327.8229 -849.7916      477.5061 71.91742 33.21414 68.38585 33.67403 3.531570       47.29820 
1 1 1 27  6  20 o 55.09478 26.57347 -348.3569      256.9329 -564.0939      318.9018 50.75299       433.7513 56.78543 27.87348 93.86792 41.15539 -37.08249      49.70611 
1 1 1 27  6  21 o 58.68997 27.49327 -190.2557      237.4613 11.36320       291.7464 -585.9952      408.7377 77.26581 33.81779 66.55920 32.43083 10.70660       46.85511 
1 1 1 27  6  22 o 67.17488 30.49321 -86.18376      260.8600 130.4107       355.1985 -339.7849      384.3466 90.09600 38.34996 70.89345 33.73477 19.20255       51.07597 
1 1 1 27  6  23 o 243.6144 19.31400 1839.121       273.6902 2280.586       368.2399 1294.283       409.0876 267.9312 23.67802 190.1309 38.01657 77.80025       44.78736 
1 1 1 27  6  24 o 61.77938 28.18687 -87.98330      226.4778 166.6913       309.8154 -380.2596      331.8998 87.73840 36.48400 62.81088 30.27190 24.92751       47.40749 
1 1 1 27  6  25 f 68.45560 30.17933 0.3106088      236.2091 164.5835       312.4185 -218.9059      360.9029 87.31526 36.49769 71.62185 33.65983 15.69341       49.64943 
1 1 1 27  6  26 o 71.67580 30.16655 79.84921       215.6948 -67.16569      292.6384 254.7211       319.1615 70.68240 32.16825 93.71678 37.76588 -23.03439      49.60905 
1 1 1 27  6  27 o 91.48225 30.36265 287.1203       190.0934 551.9429       265.1270 6.956572       272.6983 121.8650 35.15771 72.19635 32.09653 49.66868       47.60516 
1 1 1 27  6  28 o 61.22110 27.07632 -5.425098      191.5873 -134.6020      266.2108 133.3683       275.9418 63.31257 29.47706 80.41136 33.99630 -17.09879      44.99606 
1 1 1 27  6  29 f 60.53060 27.18894 -30.65623      201.1045 117.5379       274.4147 -202.5825      295.5718 78.73256 33.61647 63.47602 30.02296 15.25654       45.07155 
1 1 1 27  6  30 o 97.18283 31.77835 343.9742       208.5111 305.3647       289.0026 385.8920       301.1296 93.69058 36.50813 100.9966 37.76660 -7.306000      52.52770 
1 1 1 27  6  31 o 63.61872 28.11965 12.33501       206.3344 189.1191       297.3765 -151.7854      286.5275 84.18211 35.42496 63.88498 30.01365 20.29713       46.43002 
1 1 1 27  6  32 o 74.28256 30.50695 140.6340       212.9939 -169.9887      310.5880 416.4118       292.6494 65.28719 30.84857 102.1841 37.40734 -36.89692      48.48653 
1 1 1 27  6  33 o 98.23611 32.49012 366.4131       217.7187 529.8694       316.9156 220.3171       299.6139 111.7728 39.15693 85.54480 35.74864 26.22795       53.02103 
1 1 1 27  6  34 o 62.67199 28.44866 -26.91974      227.0393 206.9652       326.7679 -245.2057      315.6829 85.14291 36.52560 62.34384 29.91134 22.79907       47.21025 
1 1 1 27  6  35 o 96.41586 34.12873 364.1331       241.2086 1038.995       372.9946 -120.9535      316.2312 155.0109 40.56611 67.04227 31.50767 87.96866       51.36480 
1 1 1 27  6  36 o 75.55453 32.32858 135.0995       254.7719 167.3613       386.9421 110.4097       338.5011 84.65229 37.89274 79.27390 35.46659 5.378395       51.90124 
1 1 1 27  7  0  o 196.4486 26.02378 1187.778       292.4584 904.5957       359.9182 1738.145       501.7604 166.9116 37.66537 232.8440 38.05695 -65.93240      53.54448 
1 1 1 27  7  1  o 427.6741 27.13205 5580.302       677.0198 0.000000       0.000000 5580.302       677.0198 ?        ?        427.6741 27.13205 0.000000       27.13205 
1 1 1 27  7  2  o 261.3896 20.94625 2059.945       318.4181 1772.203       388.1518 2652.052       556.8018 239.6600 28.15184 291.2010 33.19505 -51.54102      43.52513 
1 1 1 27  7  3  f 370.3254 18.35142 4100.000       397.3275 4505.924       501.7954 3417.756       650.5407 386.5668 22.22728 330.3297 34.06776 56.23718       40.67756 
1 1 1 27  7  4  o 470.4940 17.30280 6599.692       476.6293 6223.458       601.7667 7233.056       780.7753 454.2040 22.66212 486.6078 27.47032 -32.40372      35.61166 
1 1 1 27  7  5  o 219.7750 27.38951 1491.473       345.3907 1885.699       417.8079 640.5572       613.8295 246.5490 29.47853 145.4956 54.01537 101.0534       61.53571 
1 1 1 27  7  6  o 83.23891 35.85405 10.62624       317.2916 141.0032       371.5268 -340.7171      609.8957 97.61616 40.21163 97.94131 45.25793 -0.3251495     60.54135 
1 1 1 27  7  7  o 91.79271 38.36098 94.76790       345.0211 403.1536       405.1990 -718.3611      657.9622 119.4171 43.96650 91.12287 43.57516 28.29424       61.90192 
1 1 1 27  7  8  o 289.4411 22.36559 2538.957       376.7136 2232.735       443.4442 3332.986       714.0668 268.5635 28.59319 322.3163 38.53800 -53.75281      47.98696 
1 1 1 27  7  9  o 216.8333 28.91304 1467.273       358.5251 1057.065       425.9723 2463.796       663.9313 177.9906 41.56406 273.3466 42.82004 -95.35591      59.67518 
1 1 1 27  7  10 o 120.2969 42.60648 438.9872       375.9724 249.8466       447.4966 892.9252       693.2592 110.3538 44.63000 161.3901 57.78149 -51.03632      73.01054 
1 1 1 27  7  11 o 380.7470 25.38729 4440.380       563.6574 4440.380       563.6574 0.000000       0.000000 380.7470 25.38729 ?        ?        0.000000       25.38729 
1 1 1 27  7  12 f 541.2102 24.33819 8935.341       770.5348 8935.341       770.5348 0.000000       0.000000 541.2102 24.33819 ?        ?        0.000000       24.33819 
1 1 1 27  7  13 o 160.6271 51.78529 909.4510       554.8071 909.4510       554.8071 0.000000       0.000000 160.6271 51.78529 ?        ?        0.000000       51.78529 
1 1 1 27  7  14 o 253.8699 38.49771 2114.463       555.2295 2114.463       555.2295 0.000000       0.000000 253.8699 38.49771 ?        ?        0.000000       38.49771 
1 1 1 27  7  15 o 84.73837 37.47295 -42.80203      366.8605 -42.80203      366.8605 0.000000       0.000000 84.73837 37.47295 ?        ?        0.000000       37.47295 
1 1 1 27  7  16 o 83.96881 37.73665 -98.34037      387.9709 -98.34037      387.9709 0.000000       0.000000 83.96881 37.73665 ?        ?        0.000000       37.73665 
1 1 1 27  7  17 o 257.5536 20.78102 2024.215       311.2323 1889.638       407.6990 2212.181       481.8280 244.3644 29.01360 262.6681 31.93294 -18.30368      43.14513 
1 1 1 27  7  18 f 53.20826 26.17278 -544.1726      285.9671 -439.5516      355.3798 -736.3576      481.6626 65.72645 31.58680 71.63124 34.96864 -5.904793      47.12251 
1 1 1 27  7  19 o 191.7077 24.62424 1154.688       270.4695 1273.854       330.6752 913.8237       470.1230 198.9361 29.21203 157.5979 47.18595 41.33818       55.49646 
1 1 1 27  7  20 o 135.8093 31.13276 616.3184       242.6602 675.8756       292.0245 483.4503       436.1765 140.1227 35.49969 120.6873 45.38542 19.43532       57.62000 
1 1 1 27  7  21 o 49.06474 24.20604 -491.4601      250.7339 -674.5605      318.4531 -192.8192      406.7012 53.46884 26.53878 79.13547 36.70372 -25.66663      45.29315 
1 1 1 27  7  22 o 86.97114 32.70333 218.3728       226.4607 187.5022       281.6862 274.7886       380.7972 88.12199 35.49067 101.0047 41.05240 -12.88274      54.26682 
1 1 1 27  7  23 o 98.81004 34.96591 324.0009       253.1720 197.1897       331.2090 502.2354       392.6624 91.84721 37.91433 117.5570 43.28113 -25.70982      57.53914 
1 1 1 27  7  24 o 81.82944 32.24111 174.4241       227.5031 -206.7244      311.5398 609.9125       333.0080 66.81776 31.36138 127.2198 40.02021 -60.40205      50.84441 
1 1 1 27  7  25 f 60.90797 27.89317 -93.43985      224.5102 -56.23170      294.8899 -144.7450      346.2753 71.82258 32.53062 73.04705 33.87559 -1.224472      46.96592 
1 1 1 27  7  26 o 173.6363 21.39660 963.2396       213.2859 1194.691       298.9499 723.2922       304.3874 188.5959 27.86616 139.2954 36.73870 49.30046       46.11134 
1 1 1 27  7  27 o 72.52515 29.58835 116.1379       198.7062 163.4305       282.0320 69.52273       280.0051 83.44823 34.76372 76.67924 33.35278 6.768982       48.17597 
1 1 1 27  7  28 o 73.31444 29.79619 125.8584       200.5894 196.4164       276.9542 48.00886       290.9126 85.16327 34.86013 75.89192 33.47350 9.271347       48.32912 
1 1 1 27  7  29 o 160.3426 33.88318 948.2134       308.6360 0.000000       0.000000 948.2134       308.6360 ?        ?        160.3426 33.88318 0.000000       33.88318 
1 1 1 27  7  30 o 51.17606 24.55606 -228.5749      212.8995 -374.9172      301.9301 -83.85865      300.2478 57.52600 27.99434 68.74590 31.76259 -11.21991      42.33846 
1 1 1 27  7  31 o 95.02790 32.57407 333.4313       218.7869 570.0228       313.1735 107.8765       305.7816 117.2428 38.97346 79.22674 34.65016 38.01608       52.14944 
1 1 1 27  7  32 o 83.45624 31.96349 233.3000       218.7487 -17.30127      314.2367 468.9189       304.6985 72.44733 33.11040 106.7679 38.29717 -34.32061      50.62580 
1 1 1 27  7  33 o 64.44817 28.70923 10.58431       219.2942 -376.1771      329.0997 319.4581       294.1010 59.72118 29.09933 92.92347 36.64363 -33.20229      46.79238 
1 1 1 27  7  34 o 76.44921 31.82207 155.9973       236.0428 57.30764       366.7191 225.8061       308.4274 79.01371 35.97954 85.47484 36.02916 -6.461128      50.91785 
1 1 1 27  7  35 o 59.98524 27.83395 -86.77763      234.2784 -182.3044      374.4848 -25.34868      300.3020 69.71407 33.20895 69.92301 32.10988 -0.2089462     46.19393 
1 1 1 27  8  0  o 331.0080 17.62991 3273.260       341.0121 3556.962       430.5587 2795.756       558.5852 343.5877 21.47441 299.3442 32.32994 44.24350       38.81205 
1 1 1 27  8  1  o 147.1004 33.82343 696.1387       285.6953 1042.991       350.1933 5.862193       494.0231 180.6445 34.30889 101.4835 44.21964 79.16099       55.96853 
1 1 1 27  8  2  f 95.22598 37.06435 199.9714       297.6084 197.6783       343.7770 206.8302       594.5509 99.20905 39.45964 119.5666 50.18872 -20.35757      63.84333 
1 1 1 27  8  3  o 246.6435 23.13006 1848.386       330.6738 2048.000       391.9114 1355.117       616.0754 258.4841 26.21468 197.5951 52.33841 60.88899       58.53647 
1 1 1 27  8  4  o 181.8939 30.76978 1042.324       316.5483 1082.302       369.7083 932.5162       612.7219 183.4230 35.65263 165.3650 54.49686 18.05807       65.12310 
1 1 1 27  8  5  o 153.5575 36.85759 768.5353       327.7068 666.2985       389.6787 1015.497       605.6454 142.3027 43.03891 171.3387 53.98090 -29.03600      69.03828 
1 1 1 27  8  6  o 175.8306 34.67771 993.9411       344.8870 983.0535       405.7920 1022.267       654.5254 172.3441 40.78628 171.4327 56.31680 0.9113770      69.53490 
1 1 1 27  8  7  o 285.2269 40.93166 2646.430       665.1068 0.000000       0.000000 2646.430       665.1068 ?        ?        285.2269 40.93166 0.000000       40.93166 
1 1 1 27  8  8  o 68.25217 32.08310 -303.1202      328.1917 -121.5210      379.4325 -842.5692      653.9623 82.89904 37.28220 87.36147 42.20023 -4.462425      56.31005 
1 1 1 27  8  9  o 238.7017 31.62406 1796.723       431.8332 1796.723       431.8332 0.000000       0.000000 238.7017 31.62406 ?        ?        0.000000       31.62406 
1 1 1 27  8  10 o 327.8639 26.54918 3309.910       506.1357 3309.910       506.1357 0.000000       0.000000 327.8639 26.54918 ?        ?        0.000000       26.54918 
1 1 1 27  8  11 o 359.3175 23.96018 3941.597       502.0309 3941.597       502.0309 0.000000       0.000000 359.3175 23.96018 ?        ?        0.000000       23.96018 
1 1 1 27  8  12 o 648.1409 22.97228 12765.83       871.8398 12765.83       871.8398 0.000000       0.000000 648.1409 22.97228 ?        ?        0.000000       22.97228 
1 1 1 27  8  13 o 405.3016 24.37728 5028.980       576.7693 5028.980       576.7693 0.000000       0.000000 405.3016 24.37728 ?        ?        0.000000       24.37728 
1 1 1 27  8  14 o 280.3530 34.77650 2528.717       559.5441 2528.717       559.5441 0.000000       0.000000 280.3530 34.77650 ?        ?        0.000000       34.77650 
1 1 1 27  8  15 o 357.2516 19.77447 3860.543       412.6976 3860.543       412.6976 0.000000       0.000000 357.2516 19.77447 ?        ?        0.000000       19.77447 
1 1 1 27  8  16 o 98.61983 40.57435 177.6154       377.6397 177.6154       377.6397 0.000000       0.000000 98.61983 40.57435 ?        ?        0.000000       40.57435 
1 1 1 27  8  17 o 288.6054 18.58307 2522.226       312.8659 2289.484       407.9229 2854.730       487.5736 270.8570 25.99842 301.3412 27.90565 -30.48416      38.13979 
1 1 1 27  8  18 o 91.82130 36.32217 195.7427       289.7827 252.5172       367.7606 102.7601       470.6409 102.1205 40.74846 100.5784 43.49637 1.542099       59.60177 
1 1 1 27  8  19 o 72.40262 31.68978 -6.784904      256.1940 -368.1849      314.2794 709.0670       442.3168 62.47126 29.93867 139.7350 46.31302 -77.26370      55.14726 
1 1 1 27  8  20 o 154.7878 30.00089 792.6718       262.5113 623.7867       335.2773 1060.226       422.0016 132.2736 39.90368 170.8270 42.33735 -38.55339      58.17865 
1 1 1 27  8  21 o 55.80735 26.56385 -251.2157      238.6696 -73.79733      297.8296 -569.6326      398.9942 72.55941 32.79506 65.55384 31.96333 7.005569       45.79487 
1 1 1 27  8  22 o 70.40873 30.50049 25.84430       232.2024 -68.20969      284.1802 214.7828       402.7778 70.81057 32.01681 98.01463 41.23570 -27.20406      52.20592 
1 1 1 27  8  23 o 72.91000 30.62149 78.38873       221.5168 -145.9671      272.5994 514.5519       380.0850 64.97359 30.10550 118.1020 42.72014 -53.12843      52.26233 
1 1 1 27  8  24 f 111.5207 31.00000 432.9702       210.0479 766.1687       278.4947 -6.656520      319.8949 147.6461 32.99380 77.33488 34.54712 70.31126       47.77127 
1 1 1 27  8  25 o 68.69691 29.67417 36.70742       218.5426 303.4823       305.9203 -241.3290      312.3106 97.33505 37.66309 65.09631 30.81075 32.23875       48.66015 
1 1 1 27  8  26 o 51.21002 24.38148 -203.6541      201.3124 -339.4644      287.8238 -73.58598      281.6734 58.03758 28.02568 68.79892 31.40675 -10.76134      42.09302 
1 1 1 27  8  27 o 79.60878 30.27714 189.6251       195.3929 49.73935       276.5229 329.1158       276.1321 74.88684 32.84605 97.01033 36.18729 -22.12349      48.87108 
1 1 1 27  8  28 o 55.91600 25.88735 -105.3683      200.9428 -172.8866      287.4452 -40.83645      281.0161 63.93642 30.04532 69.68163 31.63832 -5.745216      43.63146 
1 1 1 27  8  29 f 75.99432 31.08531 141.9137       220.0308 473.2518       310.5408 -192.1256      311.8040 109.4157 38.72483 65.49567 30.93557 43.92007       49.56432 
1 1 1 27  8  30 o 66.16944 31.12733 -160.6082      309.9467 0.000000       0.000000 -160.6082      309.9467 ?        ?        66.16944 31.12733 0.000000       31.12733 
1 1 1 27  8  31 o 65.38986 28.90931 20.19821       218.2095 -123.1601      311.4260 158.4594       305.8394 67.52634 31.58489 82.23158 35.30763 -14.70524      47.37334 
1 1 1 27  8  32 o 98.33257 32.49271 366.2107       217.7686 368.5761       319.3665 364.1551       297.7149 97.60126 38.27690 97.13351 37.26707 0.4677582      53.42242 
1 1 1 27  8  33 f 67.81829 29.66837 53.15811       224.3042 -143.3756      342.6086 200.5910       296.7406 68.90140 32.50885 83.60925 35.29652 -14.70785      47.98613 
1 1 1 27  8  34 o 49.03235 24.21176 -426.5349      252.8100 -365.7368      382.5690 -473.6661      336.8362 64.72797 31.50194 57.42650 28.27845 7.301476       42.33253 
1 1 1 27  8  35 o 109.1016 35.35153 486.9395       258.3479 142.2291       393.3542 748.4333       342.5999 84.16809 37.89727 129.3964 40.57674 -45.22833      55.52184 
1 1 1 27  9  0  o 383.2263 18.88495 4398.504       423.1379 0.000000       0.000000 4398.504       423.1379 ?        ?        383.2263 18.88495 0.000000       18.88495 
1 1 1 27  9  1  o 191.0463 26.72556 1129.816       291.2630 984.6955       337.3904 1554.369       577.0764 175.3623 34.03320 214.5133 47.15754 -39.15097      58.15575 
1 1 1 27  9  2  o 229.2840 24.12277 1605.407       319.5242 1828.332       379.4680 1062.220       592.3391 243.6627 27.00731 175.0118 53.09090 68.65086       59.56541 
1 1 1 27  9  3  o 233.0809 23.76213 1656.968       320.2816 1770.063       372.2501 1334.618       628.4586 239.6991 26.94616 195.1778 53.37662 44.52127       59.79263 
1 1 1 27  9  4  o 85.51154 35.57704 83.42786       294.8294 -36.56282      338.2081 463.2527       601.7303 82.79198 36.31897 133.5965 52.49625 -50.80457      63.83512 
1 1 1 27  9  5  o 307.4113 21.43384 2854.669       384.0089 2874.691       455.6171 2805.561       713.5375 306.6206 25.56912 292.5861 42.85279 14.03445       49.90132 
1 1 1 27  9  6  o 138.8019 39.03021 633.2978       330.9230 771.9176       390.8424 282.2914       621.9373 152.0665 42.29263 124.3796 51.70390 27.68689       66.79790 
1 1 1 27  9  7  o 126.6905 40.51603 517.2163       340.0977 561.6119       399.1462 399.5773       649.7366 132.0561 44.00171 131.6476 53.58055 0.4084930      69.33272 
1 1 1 27  9  8  o 324.2105 21.37594 3180.874       404.1782 2822.235       475.5081 4114.563       767.2395 302.4722 27.09199 358.4364 37.03047 -55.96426      45.88280 
1 1 1 27  9  9  o 324.7981 40.19479 3442.281       749.3321 0.000000       0.000000 3442.281       749.3321 ?        ?        324.7981 40.19479 0.000000       40.19479 
1 1 1 27  9  10 o 104.8189 42.34611 222.8943       402.3846 222.8943       402.3846 0.000000       0.000000 104.8189 42.34611 ?        ?        0.000000       42.34611 
1 1 1 27  9  11 o 286.6894 25.43813 2530.706       423.2727 2530.706       423.2727 0.000000       0.000000 286.6894 25.43813 ?        ?        0.000000       25.43813 
1 1 1 27  9  12 o 222.6897 27.74733 1550.055       354.5469 1550.055       354.5469 0.000000       0.000000 222.6897 27.74733 ?        ?        0.000000       27.74733 
1 1 1 27  9  13 o 355.9108 27.99309 3938.523       579.6090 3938.523       579.6090 0.000000       0.000000 355.9108 27.99309 ?        ?        0.000000       27.99309 
1 1 1 27  9  14 o 95.32201 39.25667 152.7675       353.9721 152.7675       353.9721 0.000000       0.000000 95.32201 39.25667 ?        ?        0.000000       39.25667 
1 1 1 27  9  15 o 98.50664 39.96017 194.9216       359.9963 194.9216       359.9963 0.000000       0.000000 98.50664 39.96017 ?        ?        0.000000       39.96017 
1 1 1 27  9  16 o 171.8774 38.23700 998.3381       375.4899 998.3381       375.4899 0.000000       0.000000 171.8774 38.23700 ?        ?        0.000000       38.23700 
1 1 1 27  9  17 o 53.45072 26.29517 -549.8741      288.9281 -875.1206      386.2883 -136.8571      435.3006 57.95444 28.84245 86.29816 39.25890 -28.34372      48.71496 
1 1 1 27  9  18 o 100.8592 35.87933 312.4170       266.8801 568.7162       328.7546 -182.9045      457.0270 128.3946 39.66784 85.93798 39.51851 42.45664       55.99331 
1 1 1 27  9  19 o 151.7232 31.46186 766.7429       270.7596 511.4574       337.9229 1224.538       452.5224 121.5454 40.48638 184.5244 42.66726 -62.97895      58.81871 
1 1 1 27  9  20 f 128.2043 33.87177 566.2281       258.4492 145.7587       324.4793 1295.900       427.4485 89.21104 37.23580 191.2742 39.41611 -102.0632      54.22301 
1 1 1 27  9  21 o 170.8645 25.53074 943.1893       248.0041 926.7883       312.1559 971.2608       408.3851 164.1108 33.56579 160.9255 42.60668 3.185303       54.24012 
1 1 1 27  9  22 o 73.23264 30.90609 72.03098       227.3930 76.96174       273.1553 60.90049       410.4022 78.49989 33.52880 89.61318 39.63128 -11.11329      51.91164 
1 1 1 27  9  23 o 62.75060 28.31039 -58.12084      220.7734 -212.5197      273.3519 231.5411       374.4086 61.83138 29.13160 96.28976 40.07914 -34.45837      49.54783 
1 1 1 27  9  24 o 152.2950 24.35108 756.1220       210.1743 940.7723       281.1145 522.0875       316.4814 166.2417 29.93391 118.2759 39.17422 47.96583       49.30170 
1 1 1 27  9  25 o 117.0942 29.01042 473.9171       198.1913 361.7628       253.7997 649.1896       317.2782 101.3426 35.06982 130.5360 38.68661 -29.19335      52.21634 
1 1 1 27  9  26 o 161.5602 22.92176 849.0541       211.0970 938.9642       292.3293 751.0807       305.1560 163.2028 31.68447 141.3907 36.53872 21.81216       48.36304 
1 1 1 27  9  27 o 69.23542 28.90114 86.69534       195.5067 -54.03761      283.7141 213.9514       269.7878 69.40583 31.62086 86.24496 34.73362 -16.83913      46.97130 
1 1 1 27  9  28 o 69.32152 29.45958 73.64273       209.0168 346.4098       306.6203 -163.1373      285.6785 98.35229 37.79842 64.02392 30.04418 34.32838       48.28430 
1 1 1 27  9  29 o 90.79668 32.63316 290.0847       221.3584 353.5555       314.9128 228.0953       311.2159 98.35949 38.17063 88.45547 36.65543 9.904015       52.92086 
1 1 1 27  9  30 o 94.90265 32.79444 331.6275       221.9022 194.1294       309.5121 477.0507       318.3068 85.20647 36.01332 108.2261 39.10170 -23.01963      53.15922 
1 1 1 27  9  31 o 55.53094 26.24723 -163.5249      225.1852 -522.3409      331.0116 145.5965       307.2358 56.11951 27.71007 81.23733 35.13776 -25.11782      44.74941 
1 1 1 27  9  32 o 85.79379 32.44412 256.4632       223.5973 116.1276       328.7488 377.2653       305.0124 80.45321 35.53030 98.10585 37.70035 -17.65264      51.80462 
1 1 1 27  9  33 o 137.3036 29.43807 688.6931       229.9330 559.6342       343.8654 793.0651       309.2335 112.2686 40.63046 138.9809 37.20320 -26.71228      55.09004 
1 1 1 27  9  34 o 85.32995 33.73560 253.0179       249.8529 215.0384       400.1348 277.2900       319.8783 88.21439 39.06665 89.27017 37.09223 -1.055779      53.87055 
1 1 1 27  9  35 o 73.69130 31.72812 114.4186       248.2663 291.0887       384.1133 -12.33808      325.3593 91.35783 39.40096 72.33687 33.29298 19.02096       51.58351 
1 1 1 27  10 0  o 298.8941 15.72055 2662.540       274.6035 2942.561       395.0935 2400.858       381.9366 312.0321 21.72557 281.0348 23.38461 30.99734       31.91929 
1 1 1 27  10 1  o 78.21022 33.36981 24.82782       270.0613 113.7574       310.7325 -249.7483      546.0030 89.45762 36.80489 95.04772 43.51684 -5.590103      56.99400 
1 1 1 27  10 2  o 58.48315 28.00998 -355.6170      274.1505 -435.2346      309.9615 -69.54524      587.5445 60.81600 29.29631 105.8207 47.07478 -45.00471      55.44645 
1 1 1 27  10 3  o 206.7800 25.75767 1318.133       305.6138 1457.762       354.9079 917.5974       601.1014 216.4003 28.66915 163.4610 53.98240 52.93924       61.12299 
1 1 1 27  10 4  o 249.0280 23.94468 1893.515       345.4044 2201.875       408.3378 1117.963       647.5831 267.6196 26.35839 177.6929 55.79602 89.92673       61.70867 
1 1 1 27  10 5  o 205.9443 28.25627 1322.214       332.2951 1271.578       390.8553 1454.246       631.1378 199.0016 34.75348 203.1173 52.57702 -4.115738      63.02497 
1 1 1 27  10 6  o 133.3783 38.86604 584.6179       322.5333 824.9003       372.9785 -127.8199      642.2383 157.2932 40.26514 107.3635 48.37546 49.92973       62.94019 
1 1 1 27  10 7  o 133.6075 39.80839 588.5500       335.2351 652.1078       395.4813 426.2979       631.8826 139.9401 43.55288 131.6305 53.10540 8.309616       68.68068 
1 1 1 27  10 8  o 223.3679 26.84971 1548.595       344.6879 1309.855       401.4499 2218.324       672.3865 201.2362 35.30207 255.4272 46.60158 -54.19104      58.46318 
1 1 1 27  10 9  o 241.5443 29.00264 1825.426       402.6438 1825.426       402.6438 0.000000       0.000000 241.5443 29.00264 ?        ?        0.000000       29.00264 
1 1 1 27  10 10 o 303.8113 25.20918 2838.059       445.1319 2838.059       445.1319 0.000000       0.000000 303.8113 25.20918 ?        ?        0.000000       25.20918 
1 1 1 27  10 11 o 249.0570 29.43419 1948.223       421.6358 1948.223       421.6358 0.000000       0.000000 249.0570 29.43419 ?        ?        0.000000       29.43419 
1 1 1 27  10 12 o 362.1233 18.85746 3951.078       399.1088 3951.078       399.1088 0.000000       0.000000 362.1233 18.85746 ?        ?        0.000000       18.85746 
1 1 1 27  10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  10 14 o 188.8848 49.51078 1282.198       555.0301 1282.198       555.0301 0.000000       0.000000 188.8848 49.51078 ?        ?        0.000000       49.51078 
1 1 1 27  10 15 o 218.4586 30.73171 1526.943       382.8677 1526.943       382.8677 0.000000       0.000000 218.4586 30.73171 ?        ?        0.000000       30.73171 
1 1 1 27  10 16 o 260.5184 27.40201 2135.780       412.4084 2135.780       412.4084 0.000000       0.000000 260.5184 27.40201 ?        ?        0.000000       27.40201 
1 1 1 27  10 17 o 92.56382 35.83323 217.2545       277.0103 294.1207       353.4380 94.84180       446.0247 104.2285 40.44090 98.08832 42.38137 6.140190       58.58027 
1 1 1 27  10 18 o 186.8045 24.99608 1103.416       266.9815 1025.324       324.6144 1266.673       469.3547 175.6325 32.71817 187.7570 43.48074 -12.12454      54.41556 
1 1 1 27  10 19 o 75.73779 32.52970 42.51421       259.7613 16.07237       324.4515 89.72390       433.5304 81.12589 35.58083 94.94382 41.39616 -13.81793      54.58605 
1 1 1 27  10 20 o 78.63557 32.72969 102.0660       249.6725 12.18509       314.0959 256.3300       411.4914 79.22206 34.86820 102.0315 42.20292 -22.80941      54.74375 
1 1 1 27  10 21 o 220.5415 18.58863 1502.005       238.1936 1349.260       289.6821 1820.853       418.5338 205.1842 24.56017 232.8108 31.45745 -27.62660      39.90956 
1 1 1 27  10 22 o 56.18634 26.58983 -212.4480      232.4474 -129.9493      283.4016 -382.0356      406.3270 67.13925 30.96255 71.01908 34.03690 -3.879829      46.01293 
1 1 1 27  10 23 o 54.40176 25.86578 -222.9165      225.0154 -378.9772      284.3262 38.64614       368.0933 56.71570 27.49926 84.16930 37.36214 -27.45360      46.39115 
1 1 1 27  10 24 o 93.22017 31.79120 292.8857       208.3399 303.0002       271.1560 278.3098       325.5096 96.06112 35.85448 96.18127 38.35034 -0.1201553     52.50040 
1 1 1 27  10 25 o 42.14449 20.93300 -434.2067      199.5114 -212.8606      262.9513 -734.5153      306.2833 59.81091 28.29789 49.56233 24.82041 10.24858       37.64071 
1 1 1 27  10 26 o 48.96992 23.32803 -189.7030      184.8207 -176.9604      250.4934 -204.9285      273.8125 59.41089 27.95892 61.16487 28.91993 -1.753975      40.22516 
1 1 1 27  10 27 f 190.3920 18.13292 1139.333       200.0308 922.3798       272.2939 1393.666       294.8195 162.5071 29.66297 204.8312 25.06353 -42.32408      38.83390 
1 1 1 27  10 28 o 121.9087 30.58986 536.5082       218.3243 745.5005       313.4189 339.5036       304.2975 137.6765 37.71164 97.37772 37.59433 40.29882       53.24942 
1 1 1 27  10 29 o 68.59891 29.79887 52.11563       222.9010 69.27088       312.4941 34.34625       318.0383 77.87201 34.50339 76.36088 34.25422 1.511131       48.61929 
1 1 1 27  10 30 o 85.47446 32.12293 248.7230       218.4290 284.9382       302.9438 209.5101       315.2330 91.39578 36.80678 86.33975 36.41078 5.056030       51.77339 
1 1 1 27  10 31 o 67.55145 29.54556 47.81596       222.3506 -261.6913      325.2248 319.4581       304.6820 63.21787 30.33838 93.47942 37.15881 -30.26154      47.97076 
1 1 1 27  10 32 o 107.8319 33.66366 454.3352       236.0779 602.7424       353.8454 335.2810       316.9264 116.3645 41.32194 94.52802 37.79112 21.83649       55.99707 
1 1 1 27  10 33 o 142.1780 32.34268 769.7604       263.5838 921.8068       392.9703 645.4081       355.3846 140.9568 43.33757 118.8853 41.47819 22.07151       59.98821 
1 1 1 27  10 34 o 162.6424 29.80708 968.0114       273.8433 1041.696       425.4093 915.8746       357.8418 147.3390 45.05183 144.5535 40.56501 2.785477       60.62333 
1 1 1 27  10 35 o 111.2779 34.96984 508.8448       254.3256 656.0883       403.3036 411.6342       327.6956 115.2985 43.57955 98.65903 38.74853 16.63943       58.31488 
1 1 1 27  11 0  o 56.33557 26.30819 -188.6337      214.6390 -129.8852      265.4478 -299.5908      364.8029 67.64942 30.72894 73.19823 34.22052 -5.548813      45.99252 
1 1 1 27  11 1  o 238.7881 18.27390 1713.817       253.9699 1904.006       336.0872 1460.642       387.7662 249.9645 23.19015 215.1109 31.68469 34.85359       39.26452 
1 1 1 27  11 2  o 278.6653 37.86992 2500.917       602.9098 0.000000       0.000000 2500.917       602.9098 ?        ?        278.6653 37.86992 0.000000       37.86992 
1 1 1 27  11 3  o 206.7407 25.53422 1319.138       303.0258 1281.282       349.3735 1434.098       608.8338 201.6400 30.49507 202.2186 51.27292 -0.5786133     59.65620 
1 1 1 27  11 4  o 282.4082 40.73156 2609.780       655.1436 0.000000       0.000000 2609.780       655.1436 ?        ?        282.4082 40.73156 0.000000       40.73156 
1 1 1 27  11 5  o 181.8214 30.87579 1049.814       317.4774 1252.307       372.5362 512.5947       606.7911 197.8026 33.29468 135.3752 52.85749 62.42734       62.46959 
1 1 1 27  11 6  o 140.7463 37.16977 654.1196       311.3120 479.5742       357.2366 1205.082       634.6915 123.0346 41.63362 182.7463 54.85179 -59.71169      68.86274 
1 1 1 27  11 7  o 64.55936 30.27873 -258.1611      289.4708 -75.18998      329.0564 -884.3368      608.7335 78.97052 35.17368 81.82572 39.80362 -2.855202      53.11794 
1 1 1 27  11 8  o 75.17817 34.77435 -233.2284      361.4034 -233.2284      361.4034 0.000000       0.000000 75.17817 34.77435 ?        ?        0.000000       34.77435 
1 1 1 27  11 9  o 184.4650 38.37597 1127.958       401.6306 1127.958       401.6306 0.000000       0.000000 184.4650 38.37597 ?        ?        0.000000       38.37597 
1 1 1 27  11 10 o 285.6455 25.56977 2517.551       423.8299 2517.551       423.8299 0.000000       0.000000 285.6455 25.56977 ?        ?        0.000000       25.56977 
1 1 1 27  11 11 o 323.6045 19.26460 3161.354       363.9611 3161.354       363.9611 0.000000       0.000000 323.6045 19.26460 ?        ?        0.000000       19.26460 
1 1 1 27  11 12 o 615.7463 24.82863 11630.01       894.7744 11630.01       894.7744 0.000000       0.000000 615.7463 24.82863 ?        ?        0.000000       24.82863 
1 1 1 27  11 13 o 331.3124 20.60790 3332.883       398.4432 3332.883       398.4432 0.000000       0.000000 331.3124 20.60790 ?        ?        0.000000       20.60790 
1 1 1 27  11 14 o 205.0864 27.67658 1326.873       324.4003 1326.873       324.4003 0.000000       0.000000 205.0864 27.67658 ?        ?        0.000000       27.67658 
1 1 1 27  11 15 o 366.6618 19.73483 4082.001       422.8112 4082.001       422.8112 0.000000       0.000000 366.6618 19.73483 ?        ?        0.000000       19.73483 
1 1 1 27  11 16 o 60.25582 29.49080 -590.1050      349.0763 -590.1050      349.0763 0.000000       0.000000 60.25582 29.49080 ?        ?        0.000000       29.49080 
1 1 1 27  11 17 f 55.05539 26.68851 -394.3263      267.4363 197.5324       337.1844 -1398.117      439.1169 95.20750 38.65445 54.41126 27.55310 40.79624       47.46936 
1 1 1 27  11 18 o 61.79973 28.65066 -160.4457      247.4014 -313.2918      300.0215 164.3308       437.3381 62.35273 29.70853 99.59663 42.47897 -37.24390      51.83685 
1 1 1 27  11 19 o 186.9698 24.41523 1112.563       261.3317 1202.178       329.3223 960.1651       429.4596 190.5056 30.50447 159.8206 44.28891 30.68500       53.77760 
1 1 1 27  11 20 o 130.7856 31.87278 587.7048       242.2047 772.8301       303.3058 261.8842       402.3807 148.1208 35.39860 101.2490 41.79207 46.87189       54.76895 
1 1 1 27  11 21 o 204.0925 20.33469 1302.954       240.1614 1361.482       296.7876 1191.930       408.7652 205.3854 25.16428 180.3086 39.72884 25.07681       47.02789 
1 1 1 27  11 22 o 102.2111 33.74492 361.5776       234.8933 319.8754       290.6304 440.1306       398.8808 98.99882 37.08542 111.8179 43.07574 -12.81908      56.84055 
1 1 1 27  11 23 o 48.78446 23.86704 -374.0411      227.9661 -627.9778      291.9203 22.86553       364.9604 50.45116 25.10248 82.84013 36.96058 -32.38898      44.67907 
1 1 1 27  11 24 o 66.05408 28.79812 18.33718       209.7810 254.9111       276.8617 -300.5896      321.4585 91.51886 35.71265 63.73197 30.47167 27.78689       46.94588 
1 1 1 27  11 25 o 170.1084 21.82070 931.6237       212.6860 959.3633       271.5933 887.6378       341.9994 167.5652 28.66632 152.5134 38.29526 15.05171       47.83602 
1 1 1 27  11 26 o 64.48761 27.99071 29.20532       196.3488 52.77107       265.1007 0.5682161      292.2368 73.82150 32.27511 73.28207 32.85718 0.5394211      46.05732 
1 1 1 27  11 27 o 131.1458 26.66613 589.6417       198.1048 685.2756       274.1819 485.1835       286.5524 135.2607 34.46865 111.8623 37.28278 23.39845       50.77493 
1 1 1 27  11 28 o 88.57813 31.88058 271.4824       211.3517 -28.05257      289.6765 612.4378       309.0567 70.74208 32.12072 123.3228 38.51965 -52.58074      50.15480 
1 1 1 27  11 29 o 62.10615 28.41138 -61.20215      232.1019 -75.77248      333.8874 -47.57727      322.8730 72.05846 33.36388 72.37364 33.25711 -0.3151855     47.10822 
1 1 1 27  11 30 o 93.37780 33.17665 322.7524       228.1228 825.6548       336.3226 -105.7693      310.4564 141.0168 39.23685 68.09099 31.74551 72.92581       50.47086 
1 1 1 27  11 31 o 73.39982 31.04171 116.5324       230.1816 -217.7755      331.9094 426.3040       319.4972 65.36829 31.17380 102.2762 38.75857 -36.90788      49.73964 
1 1 1 27  11 32 o 74.71184 31.72277 126.1151       242.0057 151.3744       349.4544 102.8372       335.4693 83.13413 36.67671 79.65208 35.49363 3.482048       51.03899 
1 1 1 27  11 33 o 175.7517 27.53971 1095.387       274.5463 1140.992       411.2619 1058.724       368.7430 158.8894 43.06609 157.5468 39.87867 1.342636       58.69410 
1 1 1 27  11 34 o 68.16826 32.25131 -144.7074      341.5251 0.000000       0.000000 -144.7074      341.5251 ?        ?        68.16826 32.25131 0.000000       32.25131 
1 1 1 27  12 0  o 124.3910 44.04848 476.2160       401.8370 0.000000       0.000000 476.2160       401.8370 ?        ?        124.3910 44.04848 0.000000       44.04848 
1 1 1 27  12 1  o 329.0965 14.67674 3224.572       282.5591 3266.623       384.7300 3175.329       416.3368 329.1193 20.02686 323.5150 22.07546 5.604309       29.80606 
1 1 1 27  12 2  f 89.58045 34.96849 177.0185       265.5191 39.88041       299.5540 679.7314       573.5300 82.54533 35.17978 144.8398 52.46535 -62.29446      63.16826 
1 1 1 27  12 3  o 199.0242 25.33816 1225.489       289.0583 975.7609       331.6938 2013.892       589.3564 173.8040 33.75777 246.0638 42.36787 -72.25975      54.17216 
1 1 1 27  12 4  o 129.3672 35.64175 548.3432       279.0355 533.6595       317.0313 598.8234       587.8226 127.6216 38.86633 139.5764 52.64439 -11.95480      65.43717 
1 1 1 27  12 5  o 105.3115 37.00688 328.8364       283.2132 199.2154       316.2705 853.4715       636.2822 95.95913 37.95002 157.1807 55.44931 -61.22160      67.19248 
1 1 1 27  12 6  o 132.7117 35.85104 579.5301       285.5720 733.0895       326.7607 83.00336       587.5744 148.6230 37.49604 111.1270 48.32583 37.49605       61.16649 
1 1 1 27  12 7  o 92.94880 37.00798 178.6588       302.6905 85.24953       345.5017 487.0670       627.7955 90.33639 38.10872 133.8378 53.29428 -43.50143      65.51759 
1 1 1 27  12 8  o 86.03676 36.89753 39.80916       333.2633 39.80916       333.2633 0.000000       0.000000 86.03676 36.89753 ?        ?        0.000000       36.89753 
1 1 1 27  12 9  o 91.70524 38.31090 110.9611       343.9399 110.9611       343.9399 0.000000       0.000000 91.70524 38.31090 ?        ?        0.000000       38.31090 
1 1 1 27  12 10 o 83.00948 37.13507 -84.84297      371.0243 -84.84297      371.0243 0.000000       0.000000 83.00948 37.13507 ?        ?        0.000000       37.13507 
1 1 1 27  12 11 o 190.3600 30.56432 1157.035       329.6792 1157.035       329.6792 0.000000       0.000000 190.3600 30.56432 ?        ?        0.000000       30.56432 
1 1 1 27  12 12 o 315.2473 25.98441 3079.867       476.1511 3079.867       476.1511 0.000000       0.000000 315.2473 25.98441 ?        ?        0.000000       25.98441 
1 1 1 27  12 13 o 245.1455 25.42168 1868.912       360.1932 1868.912       360.1932 0.000000       0.000000 245.1455 25.42168 ?        ?        0.000000       25.42168 
1 1 1 27  12 14 o 345.4749 20.19563 3630.526       407.4050 3630.526       407.4050 0.000000       0.000000 345.4749 20.19563 ?        ?        0.000000       20.19563 
1 1 1 27  12 15 o 205.9245 31.95741 1379.079       373.4460 1379.079       373.4460 0.000000       0.000000 205.9245 31.95741 ?        ?        0.000000       31.95741 
1 1 1 27  12 16 o 54.01154 26.85285 -741.1722      331.4131 -741.1722      331.4131 0.000000       0.000000 54.01154 26.85285 ?        ?        0.000000       26.85285 
1 1 1 27  12 17 o 64.57314 29.64657 -132.2537      255.8001 -199.1883      316.0914 -5.230130      435.4411 69.30075 32.21597 90.86185 40.46657 -21.56110      51.72438 
1 1 1 27  12 18 o 50.01844 24.51253 -427.1359      243.5820 -107.6717      300.7628 -1036.094      415.2474 71.40668 32.54196 57.23933 28.69870 14.16735       43.38887 
1 1 1 27  12 19 o 71.24383 31.12284 10.22661       246.0733 -55.15329      310.1810 121.2435       404.1920 74.80443 33.66954 93.18514 40.30403 -18.38071      52.51717 
1 1 1 27  12 20 o 119.6952 32.93901 500.1470       238.4764 700.7082       297.9573 142.6733       397.7889 139.9273 36.07682 93.17836 40.14043 46.74893       53.97028 
1 1 1 27  12 21 o 67.69726 29.90760 -8.885051      233.1311 -57.20538      291.2026 77.36499       389.0540 71.77921 32.43665 88.30345 38.83792 -16.52425      50.60158 
1 1 1 27  12 22 o 144.0560 29.77010 709.4437       243.1933 677.1945       294.5118 778.5637       431.1667 136.1266 36.24737 138.3385 45.72084 -2.211884      58.34610 
1 1 1 27  12 23 o 62.12577 28.25613 -72.82993      225.3406 -46.88684      294.5314 -109.4531      349.9441 72.10016 32.59779 74.76794 34.45382 -2.667778      47.43081 
1 1 1 27  12 24 o 52.80487 25.13529 -211.4736      213.7151 -47.67800      282.7714 -429.6774      326.3740 70.32783 31.85424 59.79094 29.09856 10.53688       43.14417 
1 1 1 27  12 25 o 58.38722 26.82162 -88.33968      209.7785 84.49786       269.9536 -351.8180      333.3055 76.60250 33.03408 62.64034 30.22615 13.96216       44.77579 
1 1 1 27  12 26 o 56.22427 25.89748 -91.03265      197.4114 -100.1562      267.0302 -80.03630      293.1593 64.97065 29.99548 68.91767 31.67667 -3.947021      43.62500 
1 1 1 27  12 27 f 82.08816 31.01019 213.9103       204.1455 430.4533       280.9610 -28.26963      297.1276 105.8788 36.88408 71.62466 32.52530 34.25416       49.17653 
1 1 1 27  12 28 o 57.70646 26.68884 -96.16615      212.7674 14.24468       283.7938 -237.8856      321.5227 72.23711 32.38460 64.40874 30.70671 7.828369       44.62807 
1 1 1 27  12 29 o 57.99874 26.80057 -89.36002      213.8663 287.6370       285.3027 -572.9265      323.1208 91.08408 36.03722 54.15451 26.85370 36.92958       44.94221 
1 1 1 27  12 30 o 113.4319 30.70991 479.3831       209.2669 307.4691       280.9605 693.5905       313.6221 92.01364 35.95568 128.9377 38.52460 -36.92407      52.69683 
1 1 1 27  12 31 o 50.50852 24.56501 -300.4302      231.5626 -553.2728      325.2686 -40.59586      329.7351 54.49096 27.00691 72.31889 33.36792 -17.82794      42.92775 
1 1 1 27  12 32 f 59.42747 27.96683 -139.1863      250.6395 -241.5345      359.3292 -42.20613      349.7792 66.54167 31.92190 73.33978 34.02349 -6.798103      46.65411 
1 1 1 27  12 33 o 117.2631 35.28428 561.0099       262.3894 23.87538       391.8962 997.4407       353.2541 78.73660 36.34631 153.4058 39.14154 -74.66916      53.41455 
1 1 1 27  12 34 o 63.35197 29.06126 -42.32871      245.0906 -340.1899      388.2617 154.9892       316.0100 65.50293 31.84643 80.51356 35.21865 -15.01063      47.48209 
1 1 1 27  13 0  o 298.2261 15.46824 2655.799       269.6189 3121.825       359.7385 2058.498       407.2667 321.9000 19.14172 257.4434 27.39427 64.45663       33.41933 
1 1 1 27  13 1  o 418.0787 19.58177 5265.424       478.7978 0.000000       0.000000 5265.424       478.7978 ?        ?        418.0787 19.58177 0.000000       19.58177 
1 1 1 27  13 2  o 71.22496 29.94923 40.68531       212.2899 -54.01121      252.6706 267.9871       391.4615 70.06084 31.03481 107.0294 42.25441 -36.96854      52.42704 
1 1 1 27  13 3  o 202.5621 23.55659 1262.207       274.6328 1214.849       307.2639 1450.323       612.3854 197.1335 27.30926 201.6299 51.58313 -4.496368      58.36621 
1 1 1 27  13 4  o 78.10450 32.83795 55.85639       255.1680 -65.39646      282.7706 587.5500       592.1326 73.48653 32.67619 138.4676 52.69661 -64.98109      62.00537 
1 1 1 27  13 5  o 77.47857 32.99304 34.64167       263.0887 28.09612       290.3607 64.65788       621.7885 80.38560 34.45672 112.5127 49.30408 -32.12710      60.15112 
1 1 1 27  13 6  o 77.26883 33.07760 25.54292       266.9424 -31.09682      297.3063 261.1172       606.3278 77.37495 33.99389 120.4397 50.62720 -43.06472      60.98113 
1 1 1 27  13 7  o 157.1065 36.13213 816.3792       325.9686 816.3792       325.9686 0.000000       0.000000 157.1065 36.13213 ?        ?        0.000000       36.13213 
1 1 1 27  13 8  o 104.6256 40.23345 282.4838       347.5433 282.4838       347.5433 0.000000       0.000000 104.6256 40.23345 ?        ?        0.000000       40.23345 
1 1 1 27  13 9  o 64.89175 30.90751 -362.3589      324.1484 -362.3589      324.1484 0.000000       0.000000 64.89175 30.90751 ?        ?        0.000000       30.90751 
1 1 1 27  13 10 o 199.6290 27.19809 1250.863       310.1558 1250.863       310.1558 0.000000       0.000000 199.6290 27.19809 ?        ?        0.000000       27.19809 
1 1 1 27  13 11 o 130.2383 43.77443 565.3408       394.9248 565.3408       394.9248 0.000000       0.000000 130.2383 43.77443 ?        ?        0.000000       43.77443 
1 1 1 27  13 12 o 175.4827 34.06708 1012.045       337.9612 1012.045       337.9612 0.000000       0.000000 175.4827 34.06708 ?        ?        0.000000       34.06708 
1 1 1 27  13 13 o 317.5776 20.71393 3075.918       383.6952 3075.918       383.6952 0.000000       0.000000 317.5776 20.71393 ?        ?        0.000000       20.71393 
1 1 1 27  13 14 o 122.2762 40.48227 502.3796       337.9792 502.3796       337.9792 0.000000       0.000000 122.2762 40.48227 ?        ?        0.000000       40.48227 
1 1 1 27  13 15 o 217.4007 26.73974 1497.959       333.7587 1497.959       333.7587 0.000000       0.000000 217.4007 26.73974 ?        ?        0.000000       26.73974 
1 1 1 27  13 16 o 87.97330 36.26160 145.0141       302.3661 145.0141       302.3661 0.000000       0.000000 87.97330 36.26160 ?        ?        0.000000       36.26160 
1 1 1 27  13 17 o 81.11157 35.14567 45.04361       308.4726 45.04361       308.4726 0.000000       0.000000 81.11157 35.14567 ?        ?        0.000000       35.14567 
1 1 1 27  13 18 o 59.58685 27.98091 -199.3723      248.5109 -244.2157      307.6452 -115.1642      421.5776 65.57900 30.89965 83.28046 38.17004 -17.70146      49.10947 
1 1 1 27  13 19 o 127.2996 32.93911 564.5422       247.7801 560.1718       318.0168 571.2943       395.2794 123.8802 39.12765 123.7708 43.70059 0.1093674      58.65760 
1 1 1 27  13 20 o 141.0689 29.86500 676.6234       239.3749 714.7632       296.8008 605.6458       404.8894 141.0398 35.81973 125.6253 44.23959 15.41453       56.92271 
1 1 1 27  13 21 o 179.1501 23.22225 1031.234       238.2544 1016.381       298.3106 1057.398       395.9312 172.6132 30.58714 167.1513 40.76074 5.461899       50.96088 
1 1 1 27  13 22 o 157.9477 26.86168 830.4821       239.9265 808.6893       297.7243 870.8519       405.2162 150.1623 34.52861 147.5948 43.71483 2.567566       55.70648 
1 1 1 27  13 23 o 94.45344 32.32447 305.7741       215.4256 200.9927       276.7416 466.9099       343.1852 86.75970 35.09369 111.5578 40.55925 -24.79808      53.63413 
1 1 1 27  13 24 f 167.1378 21.56640 899.0097       206.4765 970.9171       261.9985 781.1503       335.4239 169.5437 27.27407 141.6787 39.09457 27.86507       47.66823 
1 1 1 27  13 25 o 106.3492 31.33601 408.6223       208.6613 206.3444       265.2816 736.8187       337.9091 85.24310 34.40261 135.6188 39.85483 -50.37566      52.64928 
1 1 1 27  13 26 o 68.37628 28.92633 74.43000       199.9827 174.7749       264.7383 -58.92547      305.1929 82.26582 33.92186 71.01981 32.52293 11.24601       46.99397 
1 1 1 27  13 27 f 117.1980 30.42389 498.0795       210.9241 350.0945       277.4084 700.8644       324.7345 97.57867 36.29585 131.2922 39.19476 -33.71355      53.41926 
1 1 1 27  13 28 o 52.48261 25.11487 -217.3878      219.3943 156.9690       288.7222 -728.9110      337.4970 81.41819 34.61298 52.32978 26.18397 29.08841       43.40114 
1 1 1 27  13 29 o 78.20152 31.07777 181.9057       213.0670 336.5749       284.9266 -14.30691      320.9185 94.96492 36.45208 73.31805 33.49018 21.64687       49.50097 
1 1 1 27  13 30 o 107.3605 31.22824 434.3978       208.3906 699.5978       278.4643 96.81888       314.1741 133.1622 35.14816 78.34348 34.65989 54.81872       49.36295 
1 1 1 27  13 31 o 93.91107 32.18623 333.2714       213.6059 324.6003       279.7292 345.3998       330.8286 92.80181 35.98585 95.06937 38.40054 -2.267555      52.62682 
1 1 1 27  13 32 o 99.66562 35.53001 400.9342       261.8405 309.9472       379.9962 483.1914       361.3072 92.80595 39.58991 104.6240 40.80554 -11.81808      56.85467 
1 1 1 27  13 33 o 124.0152 34.77556 620.0283       263.0915 839.2795       404.4470 459.1985       346.3969 131.2677 44.29967 102.7674 39.99071 28.50033       59.68013 
1 1 1 27  14 0  o 143.0937 26.65320 647.1603       215.4485 702.1841       261.0007 529.4779       381.6999 147.4906 31.15179 127.6495 43.03586 19.84109       53.12739 
1 1 1 27  14 1  o 214.8220 18.07263 1392.755       225.5841 1428.893       281.4895 1327.884       377.1450 215.9399 22.55931 203.4265 32.72141 12.51340       39.74434 
1 1 1 27  14 2  o 238.9738 16.72009 1714.836       232.8577 1873.939       298.8687 1469.052       371.4659 248.3516 20.70759 215.4328 30.23141 32.91887       36.64345 
1 1 1 27  14 3  o 292.5131 38.74654 2802.664       648.3731 0.000000       0.000000 2802.664       648.3731 ?        ?        292.5131 38.74654 0.000000       38.74654 
1 1 1 27  14 4  o 114.3765 33.90724 424.0135       243.6988 406.3558       264.9109 521.2145       621.5400 112.5883 35.73035 134.9392 53.25228 -22.35090      64.12849 
1 1 1 27  14 5  o 245.3276 20.27657 1827.538       289.1339 1871.185       330.3317 1684.563       597.8660 247.0349 23.06702 219.5094 47.79860 27.52548       53.07347 
1 1 1 27  14 6  o 160.7609 31.08335 832.6201       282.4596 751.7849       316.9319 1144.747       622.7757 150.4267 36.33598 176.4061 54.61330 -25.97943      65.59662 
1 1 1 27  14 7  o 92.62444 36.71012 185.7169       296.5333 185.7169       296.5333 0.000000       0.000000 92.62444 36.71012 ?        ?        0.000000       36.71012 
1 1 1 27  14 8  o 237.8245 26.44692 1761.939       362.6460 1761.939       362.6460 0.000000       0.000000 237.8245 26.44692 ?        ?        0.000000       26.44692 
1 1 1 27  14 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  14 10 o 191.5419 28.25605 1162.165       307.8929 1162.165       307.8929 0.000000       0.000000 191.5419 28.25605 ?        ?        0.000000       28.25605 
1 1 1 27  14 11 o 350.7579 17.96374 3711.638       368.3035 3711.638       368.3035 0.000000       0.000000 350.7579 17.96374 ?        ?        0.000000       17.96374 
1 1 1 27  14 12 o 204.8487 28.27783 1333.671       330.6745 1333.671       330.6745 0.000000       0.000000 204.8487 28.27783 ?        ?        0.000000       28.27783 
1 1 1 27  14 13 o 205.6103 29.01501 1353.356       340.1647 1353.356       340.1647 0.000000       0.000000 205.6103 29.01501 ?        ?        0.000000       29.01501 
1 1 1 27  14 14 o 212.5958 27.84678 1442.531       338.8618 1442.531       338.8618 0.000000       0.000000 212.5958 27.84678 ?        ?        0.000000       27.84678 
1 1 1 27  14 15 o 85.56814 36.25890 94.54961       315.0832 94.54961       315.0832 0.000000       0.000000 85.56814 36.25890 ?        ?        0.000000       36.25890 
1 1 1 27  14 16 o 272.8441 20.86674 2304.008       331.3691 2304.008       331.3691 0.000000       0.000000 272.8441 20.86674 ?        ?        0.000000       20.86674 
1 1 1 27  14 17 o 124.3689 37.55506 550.4808       296.8698 550.4808       296.8698 0.000000       0.000000 124.3689 37.55506 ?        ?        0.000000       37.55506 
1 1 1 27  14 18 o 122.1301 33.98346 523.5404       252.2849 620.6417       312.7003 342.4803       426.9994 130.5455 38.33277 107.3053 43.52364 23.24017       57.99749 
1 1 1 27  14 19 o 59.09662 27.61935 -167.5412      237.3320 -392.5416      297.9359 223.1415       392.5936 58.27492 28.23023 97.22709 40.79568 -38.95217      49.61082 
1 1 1 27  14 20 o 56.24973 26.68589 -222.1252      236.9335 -183.0769      294.9055 -293.2230      397.9329 65.79218 30.76136 72.78510 34.54604 -6.992912      46.25678 
1 1 1 27  14 21 o 128.8376 31.57663 582.1672       236.7063 621.2066       292.7726 508.4833       402.2216 129.6463 36.80009 116.1604 43.60427 13.48581       57.05769 
1 1 1 27  14 22 o 78.20845 31.80239 141.4511       228.6559 383.1040       293.8594 -229.3887      364.0297 103.8568 37.56373 71.02115 33.50920 32.83566       50.33787 
1 1 1 27  14 23 o 109.8634 31.35344 430.5667       211.9527 284.1211       272.5051 654.8346       337.2253 93.29671 35.68959 128.8547 40.23517 -35.55802      53.78304 
1 1 1 27  14 24 o 76.99186 30.65639 157.0158       207.7180 146.2107       264.4090 174.4339       335.7096 80.47484 33.60287 87.34269 37.23393 -6.867851      50.15495 
1 1 1 27  14 25 o 103.2374 30.75721 383.9661       200.1278 597.6355       257.8817 60.44616       317.3218 126.4419 34.03033 78.64935 34.81230 47.79251       48.68223 
1 1 1 27  14 26 o 67.43018 29.58255 29.94148       224.4242 -275.0348      329.6015 293.5464       306.4312 64.19222 30.73574 93.40266 37.22038 -29.21043      48.27052 
1 1 1 27  14 27 o 71.79156 29.68448 115.8328       203.4824 -172.3381      267.1227 514.2285       314.0820 60.85802 28.71116 112.2094 39.00312 -51.35135      48.43113 
1 1 1 27  14 28 o 96.54664 31.58638 345.2472       205.9876 378.9016       266.4459 295.2519       324.7520 99.24313 35.78559 92.66446 37.81795 6.578667       52.06540 
1 1 1 27  14 29 o 80.42142 31.25175 208.0174       211.3171 144.7841       280.7121 290.7157       321.0232 79.19451 33.91137 91.48828 37.49956 -12.29377      50.55886 
1 1 1 27  14 30 o 73.25153 30.41657 131.6572       214.9009 341.1882       291.9770 -116.0290      317.4500 94.62095 36.74474 67.81423 31.77421 26.80672       48.57753 
1 1 1 27  14 31 f 44.71018 22.18255 -428.8704      221.6272 -611.6552      305.9935 -227.1753      321.4325 50.71431 25.30769 63.45293 30.37390 -12.73863      39.53546 
1 1 1 27  14 32 o 84.22233 33.04874 246.7903       238.1963 -206.7408      310.9770 890.5920       370.5106 62.96311 30.06760 139.9837 41.88446 -77.02061      51.55937 
1 1 1 27  14 33 o 94.11685 32.46085 343.5136       217.3716 45.57178       310.7751 628.8906       304.1515 73.97531 33.46133 120.2718 38.29895 -46.29652      50.85735 
1 1 1 27  15 0  o 46.72937 22.53843 -270.8288      184.8190 -183.0336      216.4037 -507.4767      355.2879 56.63095 26.43623 64.02390 30.97019 -7.392948      40.71888 
1 1 1 27  15 1  o 74.75325 29.19160 117.9051       185.0934 77.73413       212.6722 243.3614       375.8379 74.29207 30.49443 103.5382 41.23338 -29.24616      51.28453 
1 1 1 27  15 2  o 251.6565 15.73603 1897.411       231.0866 2022.950       289.8146 1678.267       382.9082 258.5413 19.25167 230.8754 28.91129 27.66589       34.73455 
1 1 1 27  15 3  o 191.7026 21.57334 1126.594       238.3412 1114.395       259.5333 1192.271       602.2061 189.7568 23.84619 180.3430 53.26001 9.413864       58.35469 
1 1 1 27  15 4  o 78.88658 32.02291 103.6513       231.3706 20.86488       250.6856 579.6259       601.0932 74.65390 32.00835 137.0994 52.86205 -62.44547      61.79750 
1 1 1 27  15 5  o 62.20440 28.16672 -98.36517      220.9018 -212.5794      240.8105 507.9575       554.8395 59.07999 27.67935 130.9213 50.70479 -71.84129      57.76783 
1 1 1 27  15 6  o 250.6726 45.70765 2167.559       647.2134 0.000000       0.000000 2167.559       647.2134 ?        ?        250.6726 45.70765 0.000000       45.70765 
1 1 1 27  15 7  o 61.44397 29.19529 -310.8897      285.7564 -310.8897      285.7564 0.000000       0.000000 61.44397 29.19529 ?        ?        0.000000       29.19529 
1 1 1 27  15 8  o 83.78016 36.05824 34.92835       320.4221 34.92835       320.4221 0.000000       0.000000 83.78016 36.05824 ?        ?        0.000000       36.05824 
1 1 1 27  15 9  o 87.01489 34.98608 149.7833       273.2399 149.7833       273.2399 0.000000       0.000000 87.01489 34.98608 ?        ?        0.000000       34.98608 
1 1 1 27  15 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  15 11 o 286.4785 20.24416 2503.956       337.9374 2503.956       337.9374 0.000000       0.000000 286.4785 20.24416 ?        ?        0.000000       20.24416 
1 1 1 27  15 12 o 230.4742 25.27720 1665.083       336.0667 1665.083       336.0667 0.000000       0.000000 230.4742 25.27720 ?        ?        0.000000       25.27720 
1 1 1 27  15 13 o 219.3062 24.27196 1506.707       306.9618 1506.707       306.9618 0.000000       0.000000 219.3062 24.27196 ?        ?        0.000000       24.27196 
1 1 1 27  15 14 o 84.95391 35.92261 96.50756       308.1811 96.50756       308.1811 0.000000       0.000000 84.95391 35.92261 ?        ?        0.000000       35.92261 
1 1 1 27  15 15 o 155.2934 34.05285 825.3062       301.5784 825.3062       301.5784 0.000000       0.000000 155.2934 34.05285 ?        ?        0.000000       34.05285 
1 1 1 27  15 16 o 69.78510 31.52243 -72.09084      274.6843 -72.09084      274.6843 0.000000       0.000000 69.78510 31.52243 ?        ?        0.000000       31.52243 
1 1 1 27  15 17 o 265.4131 21.13863 2201.979       326.3241 2201.979       326.3241 0.000000       0.000000 265.4131 21.13863 ?        ?        0.000000       21.13863 
1 1 1 27  15 18 o 186.0709 23.67937 1109.780       252.5583 1336.274       307.4529 639.8290       442.8705 202.2840 26.55670 128.1044 46.14354 74.17960       53.23987 
1 1 1 27  15 19 o 116.5191 32.48355 477.9102       230.2703 551.0700       280.3026 326.0511       403.8416 122.9832 36.34064 103.7434 42.23509 19.23981       55.71755 
1 1 1 27  15 20 f 127.5723 30.88881 567.1631       228.6119 304.0517       280.4548 1088.206       394.6660 96.61987 36.38035 169.5888 40.28217 -72.96889      54.27875 
1 1 1 27  15 21 o 140.0185 28.35306 667.0922       224.8342 596.6666       274.2508 811.4394       392.6330 127.5042 35.41449 142.1444 43.24568 -14.64026      55.89611 
1 1 1 27  15 22 o 61.02728 27.96022 -86.93211      225.9263 9.277985       281.8759 -259.7794      377.8148 73.41959 32.63673 70.89725 33.65332 2.522331       46.87966 
1 1 1 27  15 23 o 89.33260 31.63811 270.8488       207.3106 327.7664       255.8502 162.0404       353.7475 96.48382 35.02872 87.85474 37.85018 8.629082       51.57177 
1 1 1 27  15 24 o 97.42313 31.79060 340.7486       208.7240 206.4577       263.7581 565.7444       341.4050 84.97332 34.30014 118.0536 40.68266 -33.08028      53.21258 
1 1 1 27  15 25 o 62.18546 27.52258 0.1540272      198.2996 -56.90207      260.8677 78.24879       305.1970 66.24529 30.23473 78.37802 34.43806 -12.13274      45.82706 
1 1 1 27  15 26 o 84.18518 30.54605 239.0245       194.5195 153.9944       253.5916 360.5679       303.1894 79.21908 32.98011 98.51496 37.65533 -19.29588      50.05609 
1 1 1 27  15 27 o 107.2287 30.60417 424.2870       201.9349 285.2758       266.8859 610.4443       308.8452 90.42697 35.12645 121.6094 38.57796 -31.18243      52.17400 
1 1 1 27  15 28 o 92.60963 31.21319 315.6530       200.7881 311.8542       260.8601 321.1757       314.5241 92.19888 35.00278 93.88267 37.60881 -1.683792      51.37720 
1 1 1 27  15 29 o 86.54762 31.15280 268.1624       201.8179 143.5732       262.5952 447.9475       315.4448 77.72554 33.02519 103.9689 38.69820 -26.24338      50.87449 
1 1 1 27  15 30 o 119.0833 30.26500 529.3080       211.7798 611.9683       287.8639 431.7838       312.6761 121.3289 37.05221 101.9434 38.40720 19.38547       53.36646 
1 1 1 27  15 31 o 110.2653 32.75590 477.1963       227.2423 468.5194       329.4279 485.0732       313.8743 104.0032 39.36925 105.9631 38.74818 -1.959877      55.23912 
1 1 1 27  15 32 o 77.43530 31.42365 181.1662       222.7086 287.1691       332.0843 94.52184       300.2338 89.87119 37.60193 76.12205 33.76904 13.74914       50.53962 
1 1 1 27  16 0  o 354.2286 13.35543 3734.185       276.9577 3940.635       362.3884 3444.256       429.4501 362.2193 17.10728 336.0359 21.91045 26.18338       27.79797 
1 1 1 27  16 1  o 58.60227 26.06957 -50.69955      180.1926 108.7673       208.9746 -512.9589      355.7961 76.60336 30.66619 63.81107 30.89727 12.79229       43.53225 
1 1 1 27  16 2  o 127.2998 26.30198 516.1536       189.8672 406.7046       226.1946 777.2016       349.3305 111.8522 32.53495 151.4892 39.06622 -39.63699      50.83987 
1 1 1 27  16 3  o 112.1797 28.55643 406.2774       188.3306 461.3777       218.5897 247.5576       370.9953 118.9669 31.01608 103.1649 41.00536 15.80194       51.41436 
1 1 1 27  16 4  o 189.1177 22.46416 1102.585       244.2946 1077.679       267.8282 1225.916       595.9896 185.7887 25.23176 182.2792 52.75029 3.509415       58.47422 
1 1 1 27  16 5  o 82.94192 32.06317 159.9452       221.5558 206.7283       242.3001 -78.71124      547.2623 89.52209 33.79167 99.64153 44.79633 -10.11943      56.11228 
1 1 1 27  16 6  o 115.7464 35.13072 439.6193       259.3142 439.6193       259.3142 0.000000       0.000000 115.7464 35.13072 ?        ?        0.000000       35.13072 
1 1 1 27  16 7  o 204.4902 25.28003 1305.934       296.7304 1305.934       296.7304 0.000000       0.000000 204.4902 25.28003 ?        ?        0.000000       25.28003 
1 1 1 27  16 8  o 111.0127 35.88331 400.3400       266.2769 400.3400       266.2769 0.000000       0.000000 111.0127 35.88331 ?        ?        0.000000       35.88331 
1 1 1 27  16 9  o 206.1365 24.23503 1324.516       287.3965 1324.516       287.3965 0.000000       0.000000 206.1365 24.23503 ?        ?        0.000000       24.23503 
1 1 1 27  16 10 o 92.82035 36.52417 206.3311       291.6296 206.3311       291.6296 0.000000       0.000000 92.82035 36.52417 ?        ?        0.000000       36.52417 
1 1 1 27  16 11 o 222.1088 29.06017 1581.806       369.4719 1581.806       369.4719 0.000000       0.000000 222.1088 29.06017 ?        ?        0.000000       29.06017 
1 1 1 27  16 12 o 266.1058 20.83329 2179.548       322.5442 2179.548       322.5442 0.000000       0.000000 266.1058 20.83329 ?        ?        0.000000       20.83329 
1 1 1 27  16 13 o 93.84666 36.46173 235.5695       287.6043 235.5695       287.6043 0.000000       0.000000 93.84666 36.46173 ?        ?        0.000000       36.46173 
1 1 1 27  16 14 o 195.8530 26.04984 1230.740       291.8038 1230.740       291.8038 0.000000       0.000000 195.8530 26.04984 ?        ?        0.000000       26.04984 
1 1 1 27  16 15 f 58.28080 27.89336 -302.8438      270.8260 -302.8438      270.8260 0.000000       0.000000 58.28080 27.89336 ?        ?        0.000000       27.89336 
1 1 1 27  16 16 o 285.9992 18.96032 2525.734       316.2293 2525.734       316.2293 0.000000       0.000000 285.9992 18.96032 ?        ?        0.000000       18.96032 
1 1 1 27  16 17 o 55.31397 26.91213 -403.9777      278.6295 -403.9777      278.6295 0.000000       0.000000 55.31397 26.91213 ?        ?        0.000000       26.91213 
1 1 1 27  16 18 o 170.5994 29.12085 979.6674       280.9117 979.6674       280.9117 0.000000       0.000000 170.5994 29.12085 ?        ?        0.000000       29.12085 
1 1 1 27  16 19 o 87.41218 32.46359 237.0356       221.7580 95.03596       261.5815 599.8243       418.1098 77.82717 33.01055 123.3207 44.77817 -45.49355      55.63075 
1 1 1 27  16 20 o 54.86959 26.00916 -204.8735      224.1492 -125.3762      272.0837 -372.7899      395.4331 65.29352 30.19175 69.33039 33.31891 -4.036873      44.96322 
1 1 1 27  16 21 o 74.69024 30.75523 116.8814       217.2173 135.7155       266.8699 79.90981       373.9047 80.63094 33.72006 85.46210 37.81020 -4.831154      50.66215 
1 1 1 27  16 22 o 136.5194 28.60706 645.4003       221.7018 823.1428       270.0016 277.5414       388.4287 152.5011 31.24008 96.92966 40.61871 55.57143       51.24277 
1 1 1 27  16 23 o 103.4480 31.54699 387.6624       208.7739 466.2573       258.2309 239.3431       354.7399 111.0281 35.28195 92.19399 38.73743 18.83408       52.39661 
1 1 1 27  16 24 o 50.58602 24.19821 -213.1459      203.2585 -246.9409      249.9046 -147.0948      349.3718 55.87895 26.75737 71.23526 33.36308 -15.35631      42.76742 
1 1 1 27  16 25 o 239.9316 14.89598 1773.928       208.5739 1753.419       278.4748 1800.135       314.7882 233.5608 20.53889 233.8478 23.26085 -0.2870331     31.03084 
1 1 1 27  16 26 o 86.40794 31.07328 259.9712       200.7344 65.48596       264.4837 524.2109       308.2866 73.30195 32.13779 113.0250 38.66906 -39.72310      50.28054 
1 1 1 27  16 27 o 55.39759 25.68360 -95.93055      198.8424 -298.7463      261.4701 182.2332       306.2115 54.75408 26.50588 83.65652 35.60812 -28.90244      44.39031 
1 1 1 27  16 28 o 91.66339 31.13800 310.3358       199.8394 560.9174       264.5385 -22.73892      304.9897 118.3353 35.38765 71.07677 32.53515 47.25856       48.07101 
1 1 1 27  16 29 o 95.47178 31.18660 342.6241       200.8424 201.4924       263.0981 539.7277       310.9229 81.97138 33.81015 112.3651 38.81957 -30.39368      51.47898 
1 1 1 27  16 30 o 111.9420 30.75057 475.6890       208.0509 189.4021       278.1304 839.3951       313.4896 81.24742 34.22868 142.7118 37.11229 -61.46440      50.48687 
1 1 1 27  16 31 o 120.2711 31.30359 553.5330       222.9085 780.8270       311.8438 316.0600       318.7501 136.0318 37.75653 91.62051 37.43837 44.41127       53.17130 
1 1 1 27  16 32 o 60.09936 27.32426 -29.12817      210.4773 168.1210       294.9531 -233.7877      300.4425 80.05398 34.52620 60.62659 29.11173 19.42738       45.16140 
1 1 1 27  17 0  o 121.8765 42.20126 481.8722       367.5385 0.000000       0.000000 481.8722       367.5385 ?        ?        121.8765 42.20126 0.000000       42.20126 
1 1 1 27  17 1  o 102.5356 28.74000 338.6530       179.7343 207.0897       207.5257 733.5494       359.5392 86.61573 31.53272 146.2612 40.52049 -59.64550      51.34416 
1 1 1 27  17 2  o 81.10537 30.00006 173.1262       189.0315 276.6876       222.8820 -92.26941      356.7985 95.61388 32.87402 80.52061 36.18778 15.09326       48.89025 
1 1 1 27  17 3  o 227.6465 16.22723 1559.312       215.2280 1754.178       264.4597 1177.078       370.3876 240.4553 18.90510 189.1652 34.66302 51.29015       39.48326 
1 1 1 27  17 4  o 262.2876 43.02929 2355.986       638.9680 0.000000       0.000000 2355.986       638.9680 ?        ?        262.2876 43.02929 0.000000       43.02929 
1 1 1 27  17 5  o 289.5602 16.52610 2522.437       279.4813 2326.361       308.7467 3412.113       657.6656 276.8510 19.13310 323.3985 35.24465 -46.54752      40.10313 
1 1 1 27  17 6  o 238.9868 20.98740 1749.735       291.1753 1749.735       291.1753 0.000000       0.000000 238.9868 20.98740 ?        ?        0.000000       20.98740 
1 1 1 27  17 7  o 238.8394 22.52918 1760.766       311.8460 1760.766       311.8460 0.000000       0.000000 238.8394 22.52918 ?        ?        0.000000       22.52918 
1 1 1 27  17 8  o 161.4147 26.88148 831.4701       245.5305 831.4701       245.5305 0.000000       0.000000 161.4147 26.88148 ?        ?        0.000000       26.88148 
1 1 1 27  17 9  o 68.41882 30.48167 -52.60612      247.2843 -52.60612      247.2843 0.000000       0.000000 68.41882 30.48167 ?        ?        0.000000       30.48167 
1 1 1 27  17 10 o 230.2468 21.94739 1641.454       292.7840 1641.454       292.7840 0.000000       0.000000 230.2468 21.94739 ?        ?        0.000000       21.94739 
1 1 1 27  17 11 o 164.6947 30.53913 894.3104       284.1173 894.3104       284.1173 0.000000       0.000000 164.6947 30.53913 ?        ?        0.000000       30.53913 
1 1 1 27  17 12 o 287.5825 18.89737 2533.587       316.9576 2533.587       316.9576 0.000000       0.000000 287.5825 18.89737 ?        ?        0.000000       18.89737 
1 1 1 27  17 13 f 278.8243 19.36706 2393.665       314.7293 2393.665       314.7293 0.000000       0.000000 278.8243 19.36706 ?        ?        0.000000       19.36706 
1 1 1 27  17 14 f 72.36040 32.03424 -13.50111      268.8119 -13.50111      268.8119 0.000000       0.000000 72.36040 32.03424 ?        ?        0.000000       32.03424 
1 1 1 27  17 15 o 130.0456 36.02307 606.2745       284.1788 606.2745       284.1788 0.000000       0.000000 130.0456 36.02307 ?        ?        0.000000       36.02307 
1 1 1 27  17 16 o 202.1994 23.35661 1306.921       271.8893 1306.921       271.8893 0.000000       0.000000 202.1994 23.35661 ?        ?        0.000000       23.35661 
1 1 1 27  17 17 o 71.81087 32.22322 -33.16224      281.6841 -33.16224      281.6841 0.000000       0.000000 71.81087 32.22322 ?        ?        0.000000       32.22322 
1 1 1 27  17 18 o 142.1629 28.50765 685.6259       229.4034 653.9698       269.0063 770.0256       439.2431 135.0040 33.99991 136.6245 46.16590 -1.620483      57.33485 
1 1 1 27  17 19 o 81.54108 31.58142 187.2121       215.2510 335.8863       256.3329 -168.3508      396.4102 98.68117 35.15701 76.56364 35.75391 22.11753       50.14337 
1 1 1 27  17 20 o 63.14748 28.06552 -16.09962      208.3506 174.3396       250.3576 -445.1302      375.7739 82.47014 33.37158 64.74835 31.44514 17.72179       45.85258 
1 1 1 27  17 21 o 76.51693 31.14287 139.4156       219.5069 187.6893       264.0986 31.55512       394.7679 84.03613 34.17607 83.87538 37.84743 0.1607437      50.99443 
1 1 1 27  17 22 o 42.09378 20.98789 -476.2878      208.5288 -198.5921      251.4524 -1087.885      373.1676 58.29902 27.60913 50.21502 25.42502 8.083996       37.53259 
1 1 1 27  17 23 o 190.6962 19.12634 1154.371       211.0221 946.7611       256.4621 1589.581       371.3199 166.3436 27.22983 212.3958 30.69885 -46.05215      41.03514 
1 1 1 27  17 24 o 62.50949 27.51393 11.59754       195.5971 -95.62008      231.9884 275.2125       363.7628 60.41560 27.91582 93.78129 39.30419 -33.36569      48.20905 
1 1 1 27  17 25 o 113.8828 28.53559 464.3287       190.1795 387.2099       249.9736 570.3090       293.0398 100.7770 34.80780 118.7764 37.56534 -17.99937      51.21267 
1 1 1 27  17 26 o 69.79910 28.95871 107.4509       194.5646 190.1748       255.0389 -7.724000      300.9331 81.41928 33.40409 71.95013 32.69661 9.469147       46.74294 
1 1 1 27  17 27 o 71.49419 30.53815 96.97312       226.6214 364.3210       358.0824 -81.65351      292.6966 97.33372 39.71590 67.09441 31.12530 30.23931       50.45927 
1 1 1 27  17 28 o 139.0012 29.85749 707.3676       236.1369 917.8453       362.0292 551.5153       311.5280 145.5644 40.78480 113.5579 38.87125 32.00658       56.34158 
1 1 1 27  17 29 o 101.5516 31.17499 393.6360       203.4452 737.6330       266.7509 -84.69462      314.5520 137.8851 33.35368 68.45779 31.92905 69.42731       46.17285 
1 1 1 27  17 30 o 68.54331 29.41197 85.59194       211.9816 -170.6321      279.9367 430.0221       324.5641 61.10204 28.99338 100.6351 38.83294 -39.53310      48.46249 
1 1 1 27  17 31 o 88.53152 32.41383 294.5421       219.7441 181.2543       279.0851 479.3462       356.4518 80.29113 34.07807 103.6752 40.50302 -23.38406      52.93212 
1 1 1 27  18 0  o 162.2465 20.38675 810.5031       189.7153 728.6847       221.1295 1038.670       369.2728 151.6008 25.79399 175.6052 37.02398 -24.00441      45.12322 
1 1 1 27  18 1  o 219.3754 16.47975 1451.839       210.4761 1510.940       250.5747 1310.218       387.8833 222.6484 19.38263 199.3987 34.41188 23.24973       39.49511 
1 1 1 27  18 2  f 184.3887 19.35194 1039.538       206.1565 1028.250       247.3843 1065.193       372.9632 181.5196 23.81157 177.8144 36.97125 3.705139       43.97573 
1 1 1 27  18 3  o 224.8486 30.16943 1622.086       387.8091 0.000000       0.000000 1622.086       387.8091 ?        ?        224.8486 30.16943 0.000000       30.16943 
1 1 1 27  18 4  o 311.3333 15.84822 2913.157       288.4201 2814.792       320.1188 3337.347       664.7707 304.9590 17.97837 317.7908 36.31958 -12.83188      40.52571 
1 1 1 27  18 5  o 80.69420 32.09394 136.4372       227.4031 136.4372       227.4031 0.000000       0.000000 80.69420 32.09394 ?        ?        0.000000       32.09394 
1 1 1 27  18 6  o 137.5827 30.58290 623.2510       240.3760 623.2510       240.3760 0.000000       0.000000 137.5827 30.58290 ?        ?        0.000000       30.58290 
1 1 1 27  18 7  o 197.9330 20.61207 1206.998       235.7701 1206.998       235.7701 0.000000       0.000000 197.9330 20.61207 ?        ?        0.000000       20.61207 
1 1 1 27  18 8  o 157.6525 29.58436 812.1989       263.4913 812.1989       263.4913 0.000000       0.000000 157.6525 29.58436 ?        ?        0.000000       29.58436 
1 1 1 27  18 9  o 267.9756 17.32898 2181.090       270.8843 2181.090       270.8843 0.000000       0.000000 267.9756 17.32898 ?        ?        0.000000       17.32898 
1 1 1 27  18 10 o 98.24537 33.09498 312.2000       225.7289 312.2000       225.7289 0.000000       0.000000 98.24537 33.09498 ?        ?        0.000000       33.09498 
1 1 1 27  18 11 f 284.9312 16.77983 2468.585       279.1588 2468.585       279.1588 0.000000       0.000000 284.9312 16.77983 ?        ?        0.000000       16.77983 
1 1 1 27  18 12 o 130.6450 33.54523 591.7772       258.3328 591.7772       258.3328 0.000000       0.000000 130.6450 33.54523 ?        ?        0.000000       33.54523 
1 1 1 27  18 13 o 128.1499 33.82866 575.4684       257.9319 575.4684       257.9319 0.000000       0.000000 128.1499 33.82866 ?        ?        0.000000       33.82866 
1 1 1 27  18 14 o 133.6301 33.80741 629.2869       265.1090 629.2869       265.1090 0.000000       0.000000 133.6301 33.80741 ?        ?        0.000000       33.80741 
1 1 1 27  18 15 o 239.2569 20.20139 1790.528       280.8168 1790.528       280.8168 0.000000       0.000000 239.2569 20.20139 ?        ?        0.000000       20.20139 
1 1 1 27  18 16 o 200.0098 24.76245 1298.138       284.2676 1298.138       284.2676 0.000000       0.000000 200.0098 24.76245 ?        ?        0.000000       24.76245 
1 1 1 27  18 17 o 183.8097 26.45915 1116.877       277.0233 1116.877       277.0233 0.000000       0.000000 183.8097 26.45915 ?        ?        0.000000       26.45915 
1 1 1 27  18 18 o 315.2778 13.84944 3013.442       255.4555 3084.063       306.8016 2853.809       461.2661 316.7366 16.57382 293.6724 27.08671 23.06424       31.75502 
1 1 1 27  18 19 o 66.36699 28.93666 22.56605       211.8376 -222.4607      253.0594 596.3333       387.2430 57.97043 27.52448 121.6115 43.22371 -63.64111      51.24340 
1 1 1 27  18 20 o 175.4702 21.65933 992.2928       218.1681 1063.194       260.1493 824.2323       400.5238 178.7153 25.54647 140.1375 43.86260 38.57780       50.75973 
1 1 1 27  18 21 o 128.2164 28.92715 577.3878       212.3295 242.7779       246.3913 1542.869       418.5313 87.33533 33.79874 203.1654 36.46588 -115.8300      49.72037 
1 1 1 27  18 22 o 58.02666 26.52761 -69.76433      201.9041 -131.0180      237.2246 91.22730       384.5876 59.46315 27.73197 84.93633 37.91556 -25.47318      46.97502 
1 1 1 27  18 23 o 51.01071 24.16762 -167.9400      193.0565 -116.0285      230.9233 -288.4514      351.8444 59.19041 27.52272 65.87893 31.59968 -6.688515      41.90513 
1 1 1 27  18 24 o 119.6045 28.48511 510.0105       196.9364 432.0824       239.3880 673.1810       346.3987 106.3353 33.99045 125.7204 40.94970 -19.38509      53.21868 
1 1 1 27  18 25 f 81.94953 29.09072 230.0247       175.3586 186.6616       228.3871 292.3059       273.7097 79.60855 31.99368 90.92532 35.50078 -11.31676      47.79018 
1 1 1 27  18 26 o 60.62343 26.65089 17.26619       182.9976 213.7163       237.8383 -267.7877      286.4964 82.14779 32.77260 58.70572 28.25072 23.44207       43.26831 
1 1 1 27  18 27 o 92.92628 30.74433 320.9940       194.9450 515.8168       264.4439 89.09122       288.5138 112.8488 35.68475 75.74815 33.37564 37.10067       48.86036 
1 1 1 27  18 28 o 85.04789 30.67605 259.8331       195.8078 504.1003       272.2426 -1.950305      281.8347 110.4732 36.32209 69.61969 31.63935 40.85350       48.16994 
1 1 1 27  18 29 o 52.40426 24.81738 -152.0815      203.1663 -435.8929      274.0590 194.1831       302.7144 51.27234 25.29737 82.50090 35.26855 -31.22857      43.40308 
1 1 1 27  18 30 o 106.4563 31.61564 439.8733       211.7200 360.4505       276.0828 553.2670       329.8842 94.90954 36.01478 110.9354 39.84165 -16.02586      53.70681 
1 1 1 27  18 31 o 54.23323 25.57304 -133.8663      211.4419 -85.28229      280.4720 -197.8321      321.8229 64.53089 30.11485 63.86613 30.52305 0.6647606      42.87844 
1 1 1 27  19 0  f 89.95847 29.62486 252.3100       181.0760 269.9481       205.5810 191.2729       382.4315 93.29704 31.58324 98.56335 40.71900 -5.266312      51.53191 
1 1 1 27  19 1  o 148.9401 22.91387 695.9999       193.7471 798.3411       226.0365 412.5771       376.1584 158.7394 25.11435 114.6031 42.33226 44.13629       49.22145 
1 1 1 27  19 2  o 206.0457 17.28467 1288.603       206.9461 1355.259       246.0589 1127.489       382.5477 210.0602 20.22269 182.1253 37.07688 27.93491       42.23330 
1 1 1 27  19 3  o 37.93077 18.90736 -419.2736      168.7752 -219.9282      187.7984 -1256.403      384.8441 49.31818 23.49989 50.76954 25.71843 -1.451355      34.83795 
1 1 1 27  19 4  o 68.58530 28.00109 74.36652       178.1147 101.4711       203.3598 -14.92292      369.0997 74.44084 30.09315 84.79762 37.53888 -10.35678      48.11200 
1 1 1 27  19 5  o 47.16305 23.03453 -360.1069      209.6995 -360.1069      209.6995 0.000000       0.000000 47.16305 23.03453 ?        ?        0.000000       23.03453 
1 1 1 27  19 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 27  19 7  o 62.60369 27.67803 -30.25040      200.0267 -30.25040      200.0267 0.000000       0.000000 62.60369 27.67803 ?        ?        0.000000       27.67803 
1 1 1 27  19 8  o 67.92538 28.74335 43.35696       197.5491 43.35696       197.5491 0.000000       0.000000 67.92538 28.74335 ?        ?        0.000000       28.74335 
1 1 1 27  19 9  o 123.0230 29.15797 505.9211       207.1425 505.9211       207.1425 0.000000       0.000000 123.0230 29.15797 ?        ?        0.000000       29.15797 
1 1 1 27  19 10 o 356.6810 25.06802 4041.396       521.0460 4041.396       521.0460 0.000000       0.000000 356.6810 25.06802 ?        ?        0.000000       25.06802 
1 1 1 27  19 11 o 114.0814 32.08181 448.8716       223.5748 448.8716       223.5748 0.000000       0.000000 114.0814 32.08181 ?        ?        0.000000       32.08181 
1 1 1 27  19 12 o 101.2051 32.33498 349.2793       216.6576 349.2793       216.6576 0.000000       0.000000 101.2051 32.33498 ?        ?        0.000000       32.33498 
1 1 1 27  19 13 o 82.32565 32.98607 165.3262       242.0084 165.3262       242.0084 0.000000       0.000000 82.32565 32.98607 ?        ?        0.000000       32.98607 
1 1 1 27  19 14 f 93.81921 34.29970 284.8419       245.9216 284.8419       245.9216 0.000000       0.000000 93.81921 34.29970 ?        ?        0.000000       34.29970 
1 1 1 27  19 15 o 82.75485 38.29053 -113.4746      438.6715 -113.4746      438.6715 0.000000       0.000000 82.75485 38.29053 ?        ?        0.000000       38.29053 
1 1 1 27  19 16 o 124.7720 47.58135 637.8635       483.3766 637.8635       483.3766 0.000000       0.000000 124.7720 47.58135 ?        ?        0.000000       47.58135 
1 1 1 27  19 17 o 76.11546 36.23745 -296.3122      444.5941 -296.3122      444.5941 0.000000       0.000000 76.11546 36.23745 ?        ?        0.000000       36.23745 
1 1 1 27  19 18 o 83.89608 32.70514 205.3270       232.0059 205.3270       232.0059 0.000000       0.000000 83.89608 32.70514 ?        ?        0.000000       32.70514 
1 1 1 27  19 19 o 122.3893 32.96257 547.9924       241.8506 547.9924       241.8506 0.000000       0.000000 122.3893 32.96257 ?        ?        0.000000       32.96257 
1 1 1 27  19 20 o 64.19147 28.91749 -31.64548      229.3630 -31.64548      229.3630 0.000000       0.000000 64.19147 28.91749 ?        ?        0.000000       28.91749 
1 1 1 27  19 21 o 63.91012 28.93233 -40.54653      232.9110 -40.54653      232.9110 0.000000       0.000000 63.91012 28.93233 ?        ?        0.000000       28.93233 
1 1 1 27  19 22 o 95.88609 32.54426 335.2110       218.2926 335.2110       218.2926 0.000000       0.000000 95.88609 32.54426 ?        ?        0.000000       32.54426 
1 1 1 27  19 23 o 52.42472 25.14931 -231.6332      223.0174 -231.6332      223.0174 0.000000       0.000000 52.42472 25.14931 ?        ?        0.000000       25.14931 
1 1 1 27  19 24 o 78.30472 31.53592 176.3286       222.3998 176.3286       222.3998 0.000000       0.000000 78.30472 31.53592 ?        ?        0.000000       31.53592 
1 1 1 27  19 25 o 68.27365 32.10172 -135.5723      328.9558 -135.5723      328.9558 0.000000       0.000000 68.27365 32.10172 ?        ?        0.000000       32.10172 
1 1 1 27  19 26 o 83.00932 31.76138 234.8135       215.8512 77.23487       338.1829 343.1391       280.3937 78.54437 35.27095 94.56198 36.19530 -16.01761      50.53850 
1 1 1 27  19 27 o 70.02577 29.83049 96.07568       215.2096 198.5845       339.0258 26.89052       278.5214 85.12154 36.86424 70.99101 31.93316 14.13052       48.77191 
1 1 1 27  19 28 o 90.62241 30.17928 307.1428       187.7684 270.2707       243.1709 361.5927       295.5025 86.47124 33.54623 95.14269 36.96075 -8.671448      49.91439 
1 1 1 27  19 29 o 104.6892 30.26717 417.3688       196.3022 366.1456       266.9070 477.7228       289.7206 95.46758 35.58440 105.7070 37.40492 -10.23945      51.62729 
1 1 1 27  19 30 o 60.35860 27.15178 -7.079532      201.3863 36.03745       273.4255 -58.20266      297.7307 70.27245 31.62228 67.50050 31.34054 2.771950       44.52188 
1 1 1 27  20 0  f 51.89837 23.86024 -103.0105      166.4803 6.946912       186.7404 -528.8652      367.4996 63.55222 27.44098 63.79071 31.00694 -0.2384911     41.40577 
1 1 1 27  20 1  o 148.2421 21.09725 686.0594       178.2491 742.1141       203.9169 504.4973       366.9949 153.2510 23.43130 121.1748 42.15825 32.07623       48.23219 
1 1 1 27  20 2  o 192.6377 17.04607 1129.969       190.5966 1329.480       219.3796 515.7791       384.9145 208.5833 18.11294 122.2247 43.12656 86.35863       46.77584 
1 1 1 27  20 3  o 66.89805 27.08356 78.15543       164.9905 161.8310       184.6899 -252.5123      367.1468 78.38686 29.52110 73.00573 34.19517 5.381134       45.17527 
1 1 1 27  20 4  o 175.2361 17.92151 941.4835       181.5916 1068.210       209.2096 554.3074       365.6813 186.0621 19.45970 125.0271 42.12309 61.03496       46.40079 
1 1 1 27  20 5  o 164.6049 21.76178 849.8656       204.9398 849.8656       204.9398 0.000000       0.000000 164.6049 21.76178 ?        ?        0.000000       21.76178 
1 1 1 27  20 6  o 51.94149 24.06924 -121.0833      174.3028 -121.0833      174.3028 0.000000       0.000000 51.94149 24.06924 ?        ?        0.000000       24.06924 
1 1 1 27  20 7  o 165.0626 23.47719 866.7509       220.8706 866.7509       220.8706 0.000000       0.000000 165.0626 23.47719 ?        ?        0.000000       23.47719 
1 1 1 27  20 8  o 59.26541 26.32697 -33.28519      183.1057 -33.28519      183.1057 0.000000       0.000000 59.26541 26.32697 ?        ?        0.000000       26.32697 
1 1 1 27  20 9  o 144.4491 24.10285 673.2534       196.9993 673.2534       196.9993 0.000000       0.000000 144.4491 24.10285 ?        ?        0.000000       24.10285 
1 1 1 27  20 10 o 154.3405 23.17779 763.8719       203.3231 763.8719       203.3231 0.000000       0.000000 154.3405 23.17779 ?        ?        0.000000       23.17779 
1 1 1 27  20 11 o 96.49081 31.04295 314.7667       199.4378 314.7667       199.4378 0.000000       0.000000 96.49081 31.04295 ?        ?        0.000000       31.04295 
1 1 1 27  20 12 o 63.17813 27.88502 -12.22957      202.2132 -12.22957      202.2132 0.000000       0.000000 63.17813 27.88502 ?        ?        0.000000       27.88502 
1 1 1 27  20 13 o 89.13793 40.74368 -26.86739      476.0259 -26.86739      476.0259 0.000000       0.000000 89.13793 40.74368 ?        ?        0.000000       40.74368 
1 1 1 27  20 14 o 96.65319 41.91357 195.1296       439.4332 195.1296       439.4332 0.000000       0.000000 96.65319 41.91357 ?        ?        0.000000       41.91357 
1 1 1 27  20 15 o 99.11689 33.31715 343.0875       228.7750 343.0875       228.7750 0.000000       0.000000 99.11689 33.31715 ?        ?        0.000000       33.31715 
1 1 1 27  20 16 o 120.9578 32.55352 525.7999       235.9886 525.7999       235.9886 0.000000       0.000000 120.9578 32.55352 ?        ?        0.000000       32.55352 
1 1 1 27  20 17 o 175.2336 25.11319 1016.275       250.7213 1016.275       250.7213 0.000000       0.000000 175.2336 25.11319 ?        ?        0.000000       25.11319 
1 1 1 27  20 18 o 110.3055 30.14663 433.8709       200.5457 389.3971       228.5083 582.9584       418.3795 103.3213 33.22734 118.1483 44.44573 -14.82703      55.49305 
1 1 1 27  20 19 o 147.3476 23.13310 716.3723       193.3287 636.5533       223.6883 952.0122       384.3391 134.4174 29.21130 151.9692 41.81458 -17.55186      51.00745 
1 1 1 27  20 20 o 121.1836 28.53714 518.3156       199.4429 587.6352       228.0651 292.9713       411.2008 127.4825 30.84234 97.02704 41.28007 30.45545       51.52955 
1 1 1 27  20 21 o 53.55214 24.77701 -94.52908      183.6368 -109.4285      207.6177 -40.97879      393.6055 56.28157 26.14520 78.81791 36.39866 -22.53633      44.81556 
1 1 1 27  20 22 o 73.66078 28.83993 154.5873       181.0487 140.1279       208.6084 198.7223       364.4587 74.34427 30.32186 88.37517 38.24771 -14.03090      48.80884 
1 1 1 27  20 23 o 59.09709 26.20055 -0.7646744     180.4634 -6.966570      211.1486 16.04342       347.6043 62.61746 28.01320 76.95907 35.03826 -14.34161      44.86000 
1 1 1 27  20 24 o 63.45096 27.03606 60.20343       176.8513 146.5885       212.5009 -134.4479      318.9849 74.57117 30.53126 67.36968 31.65621 7.201485       43.98037 
1 1 1 27  20 25 o 134.8350 23.87532 620.0113       181.8914 630.9175       220.8488 597.0136       320.7007 131.3851 29.39741 117.3569 39.44695 14.02818       49.19624 
1 1 1 27  20 26 o 99.88530 29.07761 369.2453       180.6100 690.8459       220.3280 -289.5279      315.3401 138.7126 28.04862 60.73650 29.33038 77.97614       40.58320 
1 1 1 27  20 27 o 102.4430 29.86072 395.7545       190.3600 394.6019       236.4983 397.8754       320.7975 99.58767 33.87318 98.07447 38.39211 1.513199       51.19909 
1 1 1 27  20 28 o 104.5750 30.42874 417.6650       197.8256 231.2948       239.7287 815.4637       350.2381 82.50257 32.90642 134.2650 40.84341 -51.76241      52.45014 
1 1 1 27  20 29 o 57.69327 27.35958 -161.9435      248.5543 -161.9435      248.5543 0.000000       0.000000 57.69327 27.35958 ?        ?        0.000000       27.35958 
1 1 1 27  21 0  o 89.85774 27.01580 263.0604       153.8688 378.7661       171.4628 -215.5292      348.7179 106.9453 27.26029 71.88667 33.55810 35.05866       43.23505 
1 1 1 27  21 1  o 85.73746 26.94108 236.3538       150.9534 171.5657       167.2107 521.7718       350.9594 77.63171 28.29820 120.9970 41.26193 -43.36529      50.03334 
1 1 1 27  21 2  o 126.0133 22.18714 505.8409       157.9851 599.0941       176.7856 136.0310       352.0498 137.1073 22.78486 90.40278 38.31808 46.70451       44.58055 
1 1 1 27  21 3  o 161.1804 17.60379 799.6800       163.7038 837.4177       185.4482 666.4717       348.4179 164.0465 19.66705 134.8087 40.68025 29.23775       45.18491 
1 1 1 27  21 4  o 44.77681 21.45642 -203.4965      161.3241 -212.3727      173.3023 -145.8628      441.5985 46.60316 22.30672 83.71298 38.62166 -37.10982      44.60069 
1 1 1 27  21 5  f 101.1724 28.63240 343.0682       177.5015 343.0682       177.5015 0.000000       0.000000 101.1724 28.63240 ?        ?        0.000000       28.63240 
1 1 1 27  21 6  o 117.5391 28.88104 466.5201       197.6386 466.5201       197.6386 0.000000       0.000000 117.5391 28.88104 ?        ?        0.000000       28.88104 
1 1 1 27  21 7  o 131.5832 22.80566 556.7661       169.6180 556.7661       169.6180 0.000000       0.000000 131.5832 22.80566 ?        ?        0.000000       22.80566 
1 1 1 27  21 8  o 157.3789 20.08372 778.5947       181.1529 778.5947       181.1529 0.000000       0.000000 157.3789 20.08372 ?        ?        0.000000       20.08372 
1 1 1 27  21 9  o 67.55877 27.25061 91.98489       166.3471 91.98489       166.3471 0.000000       0.000000 67.55877 27.25061 ?        ?        0.000000       27.25061 
1 1 1 27  21 10 o 177.1706 18.97043 980.1906       194.0499 980.1906       194.0499 0.000000       0.000000 177.1706 18.97043 ?        ?        0.000000       18.97043 
1 1 1 27  21 11 o 59.35413 26.27670 -19.30730      180.8745 -19.30730      180.8745 0.000000       0.000000 59.35413 26.27670 ?        ?        0.000000       26.27670 
1 1 1 27  21 12 o 87.82593 40.38623 -50.91842      477.2987 -50.91842      477.2987 0.000000       0.000000 87.82593 40.38623 ?        ?        0.000000       40.38623 
1 1 1 27  21 13 o 199.1485 17.82975 1232.829       206.0432 1232.829       206.0432 0.000000       0.000000 199.1485 17.82975 ?        ?        0.000000       17.82975 
1 1 1 27  21 14 o 71.86775 29.41431 106.6396       197.1525 106.6396       197.1525 0.000000       0.000000 71.86775 29.41431 ?        ?        0.000000       29.41431 
1 1 1 27  21 15 o 120.2126 29.95053 507.9141       210.3760 507.9141       210.3760 0.000000       0.000000 120.2126 29.95053 ?        ?        0.000000       29.95053 
1 1 1 27  21 16 o 75.63160 30.46877 141.0879       207.6727 141.0879       207.6727 0.000000       0.000000 75.63160 30.46877 ?        ?        0.000000       30.46877 
1 1 1 27  21 17 o 148.2219 26.07068 743.3035       218.3586 743.3035       218.3586 0.000000       0.000000 148.2219 26.07068 ?        ?        0.000000       26.07068 
1 1 1 27  21 18 o 61.64495 26.95152 16.06992       184.8605 -50.23872      206.3477 285.6391       416.0540 59.86655 27.15387 96.97600 41.39889 -37.10945      49.50960 
1 1 1 27  21 19 o 60.69610 26.93640 -6.159484      191.2166 63.25546       218.5255 -232.9833      395.0208 69.23104 29.78696 71.93048 34.22023 -2.699440      45.36835 
1 1 1 27  21 20 o 55.87276 25.44168 -56.56237      183.3538 -161.1011      206.9271 325.4349       395.5568 53.39850 25.21560 97.60926 40.95226 -44.21076      48.09276 
1 1 1 27  21 21 o 52.26849 24.24495 -96.78513      177.5246 -115.9870      203.6287 -35.96429      362.4039 55.12946 25.70502 76.09486 35.06403 -20.96540      43.47683 
1 1 1 27  21 22 o 81.96448 28.86872 231.3233       172.4177 264.1372       197.3474 125.5004       354.3984 86.42635 30.84171 82.92273 36.74250 3.503624       47.97106 
1 1 1 27  21 23 o 49.26088 23.14028 -122.9427      170.2286 -110.4224      193.0531 -166.6987      360.9001 53.54988 24.98845 69.84649 33.07736 -16.29661      41.45521 
1 1 1 27  21 24 f 47.22735 22.40544 -147.6957      167.0180 -99.69452      194.4042 -282.9748      326.3586 54.19197 25.21689 62.18621 29.98269 -7.994232      39.17720 
1 1 1 27  21 25 f 44.12025 21.33772 -214.3093      168.4279 -234.9431      198.6197 -161.4895      317.7832 48.10509 23.24208 65.62041 31.06495 -17.51533      38.79723 
1 1 1 27  21 26 o 50.47001 23.82394 -135.7366      184.4037 12.71103       221.7755 -468.2809      331.9341 64.25741 28.73086 56.85038 28.00964 7.407028       40.12483 
1 1 1 27  21 27 o 67.28638 31.24820 -62.74112      296.2365 -181.5145      517.2173 -4.757019      361.3832 78.44951 37.80412 75.03519 34.73106 3.414314       51.33613 
1 1 1 27  21 28 o 60.29903 26.94195 3.584027       194.6521 3.143844       231.4873 4.646545       359.6494 64.40769 29.02978 75.18140 34.74549 -10.77371      45.27668 
1 1 1 27  22 0  o 114.5984 22.44974 423.5105       145.4835 392.7529       159.5483 575.2514       354.3781 109.0322 25.42126 124.3973 41.46100 -15.36504      48.63388 
1 1 1 27  22 1  o 47.32555 21.87190 -95.10973      142.5167 -79.95589      158.1476 -160.6016      328.7722 51.39360 23.48861 71.24843 33.03001 -19.85483      40.53019 
1 1 1 27  22 2  o 217.8755 13.79254 1434.532       175.3349 1447.910       204.3335 1397.176       341.4420 217.7271 16.11634 204.9822 29.22907 12.74490       33.37776 
1 1 1 27  22 3  o 68.69118 25.73209 125.8119       139.9218 133.1376       154.1056 91.42112       333.8981 71.07427 26.92176 84.92077 36.68058 -13.84650      45.49996 
1 1 1 27  22 4  o 122.6574 21.62234 482.0767       149.8602 509.5900       159.2964 270.2700       441.9820 125.8117 22.41087 102.5735 43.17726 23.23817       48.64692 
1 1 1 27  22 5  o 169.9261 17.41610 892.5473       171.1115 892.5473       171.1115 0.000000       0.000000 169.9261 17.41610 ?        ?        0.000000       17.41610 
1 1 1 27  22 6  o 159.3207 18.38983 790.8393       168.6808 790.8393       168.6808 0.000000       0.000000 159.3207 18.38983 ?        ?        0.000000       18.38983 
1 1 1 27  22 7  o 82.11732 26.86175 218.5262       148.9763 218.5262       148.9763 0.000000       0.000000 82.11732 26.86175 ?        ?        0.000000       26.86175 
1 1 1 27  22 8  o 66.98339 26.19005 106.7938       149.1390 106.7938       149.1390 0.000000       0.000000 66.98339 26.19005 ?        ?        0.000000       26.19005 
1 1 1 27  22 9  o 121.5765 24.06381 486.3754       165.5040 486.3754       165.5040 0.000000       0.000000 121.5765 24.06381 ?        ?        0.000000       24.06381 
1 1 1 27  22 10 o 88.48215 27.96359 262.7874       162.4090 262.7874       162.4090 0.000000       0.000000 88.48215 27.96359 ?        ?        0.000000       27.96359 
1 1 1 27  22 11 o 84.73541 39.72106 -162.7543      497.0768 -162.7543      497.0768 0.000000       0.000000 84.73541 39.72106 ?        ?        0.000000       39.72106 
1 1 1 27  22 12 o 81.07375 28.77882 208.5376       171.6172 208.5376       171.6172 0.000000       0.000000 81.07375 28.77882 ?        ?        0.000000       28.77882 
1 1 1 27  22 13 f 142.3583 23.88385 666.5921       192.3502 666.5921       192.3502 0.000000       0.000000 142.3583 23.88385 ?        ?        0.000000       23.88385 
1 1 1 27  22 14 o 87.98611 29.66558 262.7342       181.3705 262.7342       181.3705 0.000000       0.000000 87.98611 29.66558 ?        ?        0.000000       29.66558 
1 1 1 27  22 15 o 104.0522 29.44642 383.5375       187.7409 383.5375       187.7409 0.000000       0.000000 104.0522 29.44642 ?        ?        0.000000       29.44642 
1 1 1 27  22 16 o 114.2964 28.85607 462.6265       193.4264 462.6265       193.4264 0.000000       0.000000 114.2964 28.85607 ?        ?        0.000000       28.85607 
1 1 1 27  22 17 o 116.7690 29.84107 489.8967       205.0977 489.8967       205.0977 0.000000       0.000000 116.7690 29.84107 ?        ?        0.000000       29.84107 
1 1 1 27  22 18 o 54.08656 24.62913 -57.85190      171.8466 -94.42035      189.5091 111.3483       407.6405 54.49793 25.19892 86.71323 38.84832 -32.21529      46.30526 
1 1 1 27  22 19 o 82.14729 29.10944 228.4978       175.5169 149.8250       200.0103 491.9922       366.0378 74.65591 29.96199 108.8403 41.42949 -34.18443      51.12850 
1 1 1 27  22 20 o 77.94679 28.95386 196.4077       176.4160 199.3691       200.4626 186.2378       371.4872 79.45466 30.55565 87.57863 38.24976 -8.123970      48.95602 
1 1 1 27  22 21 f 77.38092 28.65013 195.5388       172.4766 127.1857       199.6174 396.8853       342.6031 71.90788 29.53277 100.0389 39.51873 -28.13101      49.33472 
1 1 1 27  22 22 o 69.92387 27.81338 133.5072       170.8062 183.3015       194.9497 -31.00383      354.3482 76.86880 29.97571 74.68322 34.50577 2.185577       45.70767 
1 1 1 27  22 23 o 70.27584 27.58804 142.1030       166.0455 98.29285       190.7182 279.3274       337.5361 67.99683 28.47600 90.29686 37.85345 -22.30003      47.36841 
1 1 1 27  22 24 o 55.11186 24.54346 -8.613436      160.1572 -5.552331      187.7324 -16.79827      306.9765 59.16756 26.44600 70.97987 32.54686 -11.81231      41.93672 
1 1 1 27  22 25 o 60.94311 26.11669 52.16500       166.7391 85.21397       198.6700 -26.58348      306.6722 67.22807 28.65072 70.10718 32.28705 -2.879112      43.16616 
1 1 1 27  22 26 o 109.6893 28.64729 447.3728       186.2611 385.0106       219.1721 609.5182       353.4085 98.80000 32.59513 114.1668 41.20757 -15.36678      52.54052 
1 1 1 27  22 27 o 107.6565 31.35433 450.5943       209.9570 251.5327       260.1195 822.7296       355.6555 84.66563 34.10276 133.7586 41.24736 -49.09299      53.51955 
1 1 1 27  22 28 f 172.1421 21.27776 990.8935       210.2462 725.2009       261.9071 1472.386       352.5759 135.0964 33.27781 197.0057 31.58240 -61.90933      45.87875 
1 1 1 27  23 0  o 80.25226 26.18454 207.8640       141.6025 129.3247       155.8090 580.5844       339.4223 70.46072 26.97857 123.5995 40.55246 -53.13878      48.70673 
1 1 1 27  23 1  o 179.7797 33.88476 1136.299       344.1685 0.000000       0.000000 1136.299       344.1685 ?        ?        179.7797 33.88476 0.000000       33.88476 
1 1 1 27  23 2  o 216.3061 13.58219 1416.628       171.4318 1530.005       198.2607 1080.685       341.2766 223.9585 15.18428 174.5820 34.55515 49.37654       37.74415 
1 1 1 27  23 3  o 138.4732 19.98017 607.2680       157.5737 644.6692       178.3178 473.9902       336.6131 141.5710 22.20669 113.3156 40.29667 28.25544       46.01041 
1 1 1 27  23 4  o 156.0921 17.99168 759.4215       161.6937 808.9561       172.9396 415.2819       455.8345 160.7931 18.68673 110.4208 44.90208 50.37228       48.63528 
1 1 1 27  23 5  o 87.48817 26.95290 255.4281       151.9057 262.7744       159.5913 184.6207       495.4676 88.60251 27.68092 99.20599 43.72346 -10.60349      51.74915 
1 1 1 27  23 6  o 92.88150 25.65816 289.6864       144.3914 289.6864       144.3914 0.000000       0.000000 92.88150 25.65816 ?        ?        0.000000       25.65816 
1 1 1 27  23 7  o 167.2795 16.07599 862.6196       155.7748 862.6196       155.7748 0.000000       0.000000 167.2795 16.07599 ?        ?        0.000000       16.07599 
1 1 1 27  23 8  o 118.3213 21.45280 453.0116       143.3863 453.0116       143.3863 0.000000       0.000000 118.3213 21.45280 ?        ?        0.000000       21.45280 
1 1 1 27  23 9  o 53.45612 23.50987 -11.33902      142.5409 -11.33902      142.5409 0.000000       0.000000 53.45612 23.50987 ?        ?        0.000000       23.50987 
1 1 1 27  23 10 f 97.92281 43.07944 202.8161       478.9461 202.8161       478.9461 0.000000       0.000000 97.92281 43.07944 ?        ?        0.000000       43.07944 
1 1 1 27  23 11 o 189.7217 17.55584 1121.729       193.1241 1121.729       193.1241 0.000000       0.000000 189.7217 17.55584 ?        ?        0.000000       17.55584 
1 1 1 27  23 12 o 147.1398 21.51049 699.8209       180.1382 699.8209       180.1382 0.000000       0.000000 147.1398 21.51049 ?        ?        0.000000       21.51049 
1 1 1 27  23 13 o 69.32818 27.51058 118.3739       166.7248 118.3739       166.7248 0.000000       0.000000 69.32818 27.51058 ?        ?        0.000000       27.51058 
1 1 1 27  23 14 o 62.82301 26.66496 50.85455       170.8810 50.85455       170.8810 0.000000       0.000000 62.82301 26.66496 ?        ?        0.000000       26.66496 
1 1 1 27  23 15 o 69.75222 27.48712 127.0059       165.3823 127.0059       165.3823 0.000000       0.000000 69.75222 27.48712 ?        ?        0.000000       27.48712 
1 1 1 27  23 16 o 83.91815 29.19394 239.8423       175.9852 239.8423       175.9852 0.000000       0.000000 83.91815 29.19394 ?        ?        0.000000       29.19394 
1 1 1 27  23 17 o 163.1615 18.62495 847.9981       175.0344 835.6271       193.4939 903.7119       410.6259 160.2162 21.10533 142.3965 44.38859 17.81972       49.15060 
1 1 1 27  23 18 o 88.95026 28.03531 279.6907       163.3457 332.2381       180.4525 41.29697       384.3569 95.89362 29.34601 81.20396 36.92141 14.68967       47.16331 
1 1 1 27  23 19 o 117.6319 24.92651 476.8236       166.6127 568.6943       189.3186 161.2576       350.8728 127.8522 26.13163 84.78426 37.09808 43.06793       45.37763 
1 1 1 27  23 20 o 61.87742 25.90770 67.69456       157.8156 69.56698       176.9322 60.40714       349.0544 64.29123 27.20368 78.79765 35.56944 -14.50642      44.77974 
1 1 1 27  23 21 o 54.89366 24.49045 -13.44423      160.2139 -150.7299      178.8950 542.8235       360.1036 49.06196 23.25023 110.4660 41.30114 -61.40400      47.39575 
1 1 1 27  23 22 o 179.4414 16.79263 1019.471       174.6697 983.6357       197.4013 1148.740       374.9212 173.8897 19.70328 165.9330 39.16104 7.956650       43.83841 
1 1 1 27  23 23 o 41.85685 20.24078 -197.1122      151.4487 -193.7463      173.0374 -208.1330      313.1083 45.80593 22.02050 63.22921 30.18802 -17.42328      37.36601 
1 1 1 27  23 24 o 66.22601 26.89419 110.8106       163.2690 180.3303       196.4319 -44.54328      293.6426 75.80708 29.93067 68.01144 31.41899 7.795647       43.39352 
1 1 1 27  23 25 o 53.76976 25.05014 -95.01647      192.7428 -112.7965      237.0036 -60.29034      331.2205 58.57822 27.44922 70.24242 32.76231 -11.66420      42.74142 
1 1 1 27  23 26 o 70.32207 30.02617 105.4198       218.9385 -36.91559      277.5354 339.9431       356.2502 66.61453 30.69171 93.00486 38.93186 -26.39033      49.57490 
1 1 1 27  23 27 o 56.48113 26.21882 -79.90423      208.2061 -188.9248      258.1628 122.9441       352.1479 57.36210 27.39364 79.67123 35.86627 -22.30913      45.13093 
1 1 1 27  24 0  o 105.8160 22.94334 368.7698       138.2720 407.1125       151.7162 180.7361       335.9762 110.7706 24.04506 89.15794 37.59394 21.61270       44.62588 
1 1 1 27  24 1  o 58.77369 23.58208 68.35622       123.8690 93.61732       133.9688 -80.48431      325.1906 63.29661 24.80062 73.30920 33.57141 -10.01259      41.73859 
1 1 1 27  24 2  o 91.53970 25.82319 282.4698       144.6175 250.8498       160.1704 421.9758       336.4326 86.58064 27.81625 107.5922 39.98056 -21.01160      48.70512 
1 1 1 27  24 3  o 56.32197 24.03045 23.68303       140.0452 55.08162       147.7349 -254.5932      439.8109 60.70731 25.21451 76.97890 36.47270 -16.27160      44.33993 
1 1 1 27  24 4  o 158.9563 17.06673 785.5802       156.6143 804.7781       166.7591 642.0420       455.9807 160.3836 18.04134 124.2701 46.47260 36.11352       49.85171 
1 1 1 27  24 5  o 57.05315 23.82928 42.09770       133.0196 52.98476       138.3878 -90.11954      482.2660 59.06376 24.45642 85.87852 39.87831 -26.81476      46.78030 
1 1 1 27  24 6  o 147.0247 18.55849 680.6094       156.4650 680.6094       156.4650 0.000000       0.000000 147.0247 18.55849 ?        ?        0.000000       18.55849 
1 1 1 27  24 7  o 151.7962 18.50967 725.0861       161.3786 725.0861       161.3786 0.000000       0.000000 151.7962 18.50967 ?        ?        0.000000       18.50967 
1 1 1 27  24 8  o 74.42361 25.98901 173.5288       139.5384 173.5288       139.5384 0.000000       0.000000 74.42361 25.98901 ?        ?        0.000000       25.98901 
1 1 1 27  24 9  o 115.9075 44.41072 543.2886       422.4097 543.2886       422.4097 0.000000       0.000000 115.9075 44.41072 ?        ?        0.000000       44.41072 
1 1 1 27  24 10 o 77.49749 26.84962 193.5332       148.7836 193.5332       148.7836 0.000000       0.000000 77.49749 26.84962 ?        ?        0.000000       26.84962 
1 1 1 27  24 11 o 100.5691 25.96572 347.4837       154.2000 347.4837       154.2000 0.000000       0.000000 100.5691 25.96572 ?        ?        0.000000       25.96572 
1 1 1 27  24 12 o 87.37064 27.76286 263.5450       159.8954 263.5450       159.8954 0.000000       0.000000 87.37064 27.76286 ?        ?        0.000000       27.76286 
1 1 1 27  24 13 o 68.91759 26.78974 128.0878       155.3205 128.0878       155.3205 0.000000       0.000000 68.91759 26.78974 ?        ?        0.000000       26.78974 
1 1 1 27  24 14 o 180.0726 17.38649 1019.679       181.3351 1019.679       181.3351 0.000000       0.000000 180.0726 17.38649 ?        ?        0.000000       17.38649 
1 1 1 27  24 15 o 54.39600 24.09839 -11.20785      152.3873 -11.20785      152.3873 0.000000       0.000000 54.39600 24.09839 ?        ?        0.000000       24.09839 
1 1 1 27  24 16 o 80.55422 27.79894 220.1690       159.4271 220.1690       159.4271 0.000000       0.000000 80.55422 27.79894 ?        ?        0.000000       27.79894 
1 1 1 27  24 17 o 113.8148 24.06928 442.0751       155.6340 453.0117       169.4258 382.9858       393.8147 114.0051 25.92756 100.1105 41.33570 13.89468       48.79425 
1 1 1 27  24 18 o 50.95482 23.16787 -48.73251      151.3386 131.7758       163.9770 -1086.162      393.1096 69.34483 27.35666 51.39721 26.03160 17.94762       37.76283 
1 1 1 27  24 19 o 82.18516 27.12366 236.7128       151.7621 264.8167       166.1711 95.41937       372.5920 86.07989 28.38090 81.79370 36.85102 4.286186       46.51315 
1 1 1 27  24 20 f 135.4156 20.15792 602.0061       155.2172 561.1840       173.1875 768.6588       349.9250 127.9625 23.95748 131.4464 40.97680 -3.483925      47.46640 
1 1 1 27  24 21 o 71.78513 26.82368 163.6572       151.8495 182.2505       169.3685 87.47120       342.8402 74.98540 28.26355 78.85387 35.45295 -3.868477      45.34027 
1 1 1 27  24 22 o 158.6683 18.16081 810.1479       165.9546 847.0742       191.9946 701.0409       330.0256 160.0248 20.96083 125.7749 39.87637 34.24997       45.04976 
1 1 1 27  24 23 o 53.13301 24.16229 -40.83118      164.6950 -4.949684      196.5461 -125.4193      301.7755 59.98745 26.91728 64.99734 30.61876 -5.009895      40.76823 
1 1 1 27  24 24 o 85.61327 33.13529 268.8244       236.8289 449.9688       308.0969 7.209473       370.2594 101.8090 38.17413 75.82994 35.11851 25.97908       51.87074 
1 1 1 27  24 25 o 80.82336 34.34929 192.8554       284.1857 -20.84198      358.7004 553.1248       465.7426 73.76745 34.30134 105.3374 44.33064 -31.56998      56.05165 
1 1 1 27  24 26 o 78.67088 32.18879 198.6229       236.0082 95.72797       286.3604 416.5207       416.7180 74.20718 32.94627 97.11515 41.44434 -22.90797      52.94422 
1 1 1 27  25 0  o 88.99832 37.36846 196.0675       329.7496 0.000000       0.000000 196.0675       329.7496 ?        ?        88.99832 37.36846 0.000000       37.36846 
1 1 1 27  25 1  o 63.15020 25.05706 89.99207       138.3020 48.33297       152.2494 286.6212       330.7690 60.45841 25.38882 95.56198 38.46862 -35.10357      46.09150 
1 1 1 27  25 2  f 165.7819 15.34929 846.6045       147.5424 966.5375       164.0128 337.8190       337.8125 176.8678 15.98403 99.74010 39.29070 77.12772       42.41755 
1 1 1 27  25 3  o 155.5592 17.80845 758.5532       159.5446 853.3021       171.8234 165.8027       429.7654 164.9383 18.05755 92.93032 40.84801 72.00794       44.66133 
1 1 1 27  25 4  o 211.5833 13.68912 1363.062       168.9547 1391.386       181.8180 1183.873       457.3170 213.2258 14.62803 168.0299 45.35815 45.19591       47.65859 
1 1 1 27  25 5  o 126.9701 19.19048 513.8498       138.4473 480.7153       144.9099 860.6715       468.8249 121.7785 21.05103 138.7546 47.67931 -16.97604      52.11969 
1 1 1 27  25 6  o 108.0099 22.58381 385.9262       138.4477 385.9262       138.4477 0.000000       0.000000 108.0099 22.58381 ?        ?        0.000000       22.58381 
1 1 1 27  25 7  o 192.3237 15.05076 1137.922       168.4113 1137.922       168.4113 0.000000       0.000000 192.3237 15.05076 ?        ?        0.000000       15.05076 
1 1 1 27  25 8  o 120.1729 23.42077 480.6481       159.1319 480.6481       159.1319 0.000000       0.000000 120.1729 23.42077 ?        ?        0.000000       23.42077 
1 1 1 27  25 9  o 202.5874 40.85772 1625.680       468.6698 1625.680       468.6698 0.000000       0.000000 202.5874 40.85772 ?        ?        0.000000       40.85772 
1 1 1 27  25 10 o 50.79098 22.72122 -28.67527      138.8884 -28.67527      138.8884 0.000000       0.000000 50.79098 22.72122 ?        ?        0.000000       22.72122 
1 1 1 27  25 11 o 184.7337 43.73364 1437.340       466.4289 1437.340       466.4289 0.000000       0.000000 184.7337 43.73364 ?        ?        0.000000       43.73364 
1 1 1 27  25 12 o 115.9975 22.64313 448.9904       148.5104 448.9904       148.5104 0.000000       0.000000 115.9975 22.64313 ?        ?        0.000000       22.64313 
1 1 1 27  25 13 o 90.10222 27.00240 284.6014       153.8998 284.6014       153.8998 0.000000       0.000000 90.10222 27.00240 ?        ?        0.000000       27.00240 
1 1 1 27  25 14 o 80.61457 26.88600 222.0134       149.0139 222.0134       149.0139 0.000000       0.000000 80.61457 26.88600 ?        ?        0.000000       26.88600 
1 1 1 27  25 15 o 91.66639 26.43114 295.8500       149.8838 295.8500       149.8838 0.000000       0.000000 91.66639 26.43114 ?        ?        0.000000       26.43114 
1 1 1 27  25 16 o 81.45727 26.86117 230.3153       148.8493 230.3153       148.8493 0.000000       0.000000 81.45727 26.86117 ?        ?        0.000000       26.86117 
1 1 1 27  25 17 o 57.06091 24.03420 47.72961       137.0833 63.46108       146.0930 -68.14092      396.4889 59.91331 24.99450 76.24917 35.65627 -16.33585      43.54417 
1 1 1 27  25 18 o 102.3768 24.10152 363.3892       142.2937 391.8300       152.7694 177.0876       390.9968 105.8062 25.01587 86.48747 38.44244 19.31873       45.86518 
1 1 1 27  25 19 o 58.44477 24.18778 65.18072       135.2693 23.89011       147.2720 287.9664       342.0883 55.95579 24.26476 90.61170 38.05449 -34.65591      45.13228 
1 1 1 27  25 20 o 76.72402 26.10218 203.0438       140.4341 314.4581       158.3544 -207.3274      303.9122 93.03293 27.26786 62.25766 29.72891 30.77526       40.34035 
1 1 1 27  25 21 o 57.32528 24.65009 37.04136       149.4876 45.82428       169.9148 6.959748       314.4578 60.74367 26.20163 72.33592 33.08316 -11.59225      42.20214 
1 1 1 27  25 22 f 70.45938 29.69943 115.9216       209.5707 142.9820       254.7926 59.32503       368.4802 75.79333 32.37775 78.07806 35.74810 -2.284721      48.23116 
1 1 1 27  25 23 o 129.6878 38.06047 730.6591       308.3442 1118.147       431.0038 324.4220       441.3080 150.5097 45.20697 93.13773 41.14751 57.37201       61.12926 
1 1 1 27  25 24 o 83.33309 33.94813 239.5201       261.1182 351.3510       311.8574 -22.75472      477.5878 93.12995 37.40032 80.38742 38.06380 12.74253       53.36325 
1 1 1 27  25 25 o 77.96091 29.31659 212.6914       181.9897 281.9963       205.3514 -40.97246      392.8666 86.15070 31.36655 74.59524 35.07649 11.55546       47.05551 
1 1 1 27  26 0  o 151.5935 16.52303 717.0366       144.5247 769.5431       162.4883 518.1761       316.2204 156.2089 18.06918 114.4218 39.16302 41.78707       43.13047 
1 1 1 27  26 1  o 82.22801 24.55179 227.6167       127.4119 219.2867       139.6874 268.8605       310.8222 80.87119 25.97632 92.33780 37.24833 -11.46661      45.41153 
1 1 1 27  26 2  o 117.8344 20.28987 449.6851       135.1589 400.4630       149.3864 671.7963       317.3336 109.0904 24.00218 130.0579 38.72610 -20.96746      45.56112 
1 1 1 27  26 3  o 124.6077 39.12832 621.7650       318.4698 1169.647       509.1863 269.7299       408.1558 158.4071 49.43724 96.19392 41.03275 62.21322       64.24739 
1 1 1 27  26 4  o 71.86725 24.84140 163.9395       127.3284 151.3357       133.5935 288.9403       420.7187 70.37428 25.34413 97.60570 41.64793 -27.23141      48.75320 
1 1 1 27  26 5  o 43.60902 20.18064 -78.28313      121.9136 -55.75903      126.4407 -376.0331      459.7155 46.27593 21.09322 73.19264 35.36234 -26.91671      41.17547 
1 1 1 27  26 6  f 86.17607 25.38533 254.2293       136.9518 254.2293       136.9518 0.000000       0.000000 86.17607 25.38533 ?        ?        0.000000       25.38533 
1 1 1 27  26 7  o 63.56745 24.66825 104.4433       131.5229 104.4433       131.5229 0.000000       0.000000 63.56745 24.66825 ?        ?        0.000000       24.66825 
1 1 1 27  26 8  o 86.14113 38.61893 107.9117       403.6059 107.9117       403.6059 0.000000       0.000000 86.14113 38.61893 ?        ?        0.000000       38.61893 
1 1 1 27  26 9  o 122.1824 20.10897 485.4346       139.0865 485.4346       139.0865 0.000000       0.000000 122.1824 20.10897 ?        ?        0.000000       20.10897 
1 1 1 27  26 10 o 201.7195 14.82831 1256.910       174.1986 1256.910       174.1986 0.000000       0.000000 201.7195 14.82831 ?        ?        0.000000       14.82831 
1 1 1 27  26 11 o 66.54036 25.57292 122.6495       140.3518 122.6495       140.3518 0.000000       0.000000 66.54036 25.57292 ?        ?        0.000000       25.57292 
1 1 1 27  26 12 o 177.0850 16.46978 983.5554       169.0882 983.5554       169.0882 0.000000       0.000000 177.0850 16.46978 ?        ?        0.000000       16.46978 
1 1 1 27  26 13 o 70.12759 25.97911 150.8006       141.8517 150.8006       141.8517 0.000000       0.000000 70.12759 25.97911 ?        ?        0.000000       25.97911 
1 1 1 27  26 14 o 50.53650 22.54684 -19.93082      135.7982 -19.93082      135.7982 0.000000       0.000000 50.53650 22.54684 ?        ?        0.000000       22.54684 
1 1 1 27  26 15 o 110.1553 23.31811 414.3602       145.9418 414.3602       145.9418 0.000000       0.000000 110.1553 23.31811 ?        ?        0.000000       23.31811 
1 1 1 27  26 16 o 159.1323 17.48285 807.1089       160.4787 807.1089       160.4787 0.000000       0.000000 159.1323 17.48285 ?        ?        0.000000       17.48285 
1 1 1 27  26 17 o 57.60827 23.78255 63.46111       130.3350 116.4896       138.0018 -374.4015      396.5510 64.79861 25.23414 65.62904 31.97005 -0.8304291     40.72893 
1 1 1 27  26 18 o 45.88731 21.12676 -64.19801      131.1721 -78.78273      141.8407 21.95893       344.7443 46.82490 21.70321 75.50684 34.57338 -28.68194      40.82093 
1 1 1 27  26 19 o 70.41063 25.35911 161.8079       133.7543 115.7630       148.2967 362.6400       309.7116 65.46673 25.95614 95.11229 37.57347 -29.64556      45.66713 
1 1 1 27  26 20 o 90.83793 27.56754 302.9392       159.6853 419.2840       185.7419 -26.67321      312.6353 105.7384 29.05864 70.30626 32.45780 35.43217       43.56504 
1 1 1 27  26 21 o 94.66245 33.07187 355.8439       225.9755 303.2538       261.2669 512.0191       450.2344 88.92625 34.69478 103.0545 43.48995 -14.12828      55.63366 
1 1 1 27  26 22 f 65.88126 28.89267 55.64693       213.9065 23.75681       237.7378 191.2157       490.1738 66.03141 29.61857 88.27618 40.71385 -22.24477      50.34756 
1 1 1 27  26 23 o 62.52655 26.26790 78.37453       163.0775 173.1601       179.5402 -368.5346      389.8523 73.60281 28.74804 64.21040 31.37059 9.392403       42.55072 
1 1 1 27  27 0  o 47.93877 21.57190 -35.54675      127.2362 62.88346       138.2851 -578.7133      324.8460 59.35035 24.49899 54.44255 26.98406 4.907791       36.44640 
1 1 1 27  27 1  o 113.4277 21.26875 424.2019       136.2889 549.7987       150.6082 -143.6698      320.2467 129.9962 20.42754 67.99204 31.87557 62.00419       37.85943 
1 1 1 27  27 2  o 126.2203 17.60722 506.3134       126.7955 530.3053       139.4008 391.3609       305.1350 128.3864 19.09417 100.9654 37.96223 27.42098       42.49374 
1 1 1 27  27 3  o 97.97620 23.03174 324.6932       130.0957 361.3191       137.4989 11.78464       401.8961 103.3595 23.24791 81.35383 37.28006 22.00567       43.93482 
1 1 1 27  27 4  o 77.56358 24.94627 202.6838       128.7997 191.3851       134.3994 329.8626       450.9101 75.88627 25.53673 98.95776 42.68421 -23.07150      49.73999 
1 1 1 27  27 5  o 69.20396 24.93167 148.4067       129.2944 114.0732       134.5212 564.6428       468.3838 64.91708 25.01344 112.5541 45.60902 -47.63701      52.01784 
1 1 1 27  27 6  o 63.27801 24.85803 101.0489       134.8888 101.0489       134.8888 0.000000       0.000000 63.27801 24.85803 ?        ?        0.000000       24.85803 
1 1 1 27  27 7  o 156.6477 16.72501 771.8372       151.2787 771.8372       151.2787 0.000000       0.000000 156.6477 16.72501 ?        ?        0.000000       16.72501 
1 1 1 27  27 8  o 114.1010 44.72768 588.5532       435.9172 588.5532       435.9172 0.000000       0.000000 114.1010 44.72768 ?        ?        0.000000       44.72768 
1 1 1 27  27 9  o 47.14744 21.46305 -50.61974      130.3850 -50.61974      130.3850 0.000000       0.000000 47.14744 21.46305 ?        ?        0.000000       21.46305 
1 1 1 27  27 10 o 91.99343 24.61686 293.5941       135.4202 293.5941       135.4202 0.000000       0.000000 91.99343 24.61686 ?        ?        0.000000       24.61686 
1 1 1 27  27 11 o 52.08540 22.50646 15.13880       125.8026 15.13880       125.8026 0.000000       0.000000 52.08540 22.50646 ?        ?        0.000000       22.50646 
1 1 1 27  27 12 o 93.54179 24.34587 304.2462       134.8334 304.2462       134.8334 0.000000       0.000000 93.54179 24.34587 ?        ?        0.000000       24.34587 
1 1 1 27  27 13 o 94.08773 25.11421 311.2762       141.1666 311.2762       141.1666 0.000000       0.000000 94.08773 25.11421 ?        ?        0.000000       25.11421 
1 1 1 27  27 14 o 139.8203 17.28084 624.0109       138.6923 624.0109       138.6923 0.000000       0.000000 139.8203 17.28084 ?        ?        0.000000       17.28084 
1 1 1 27  27 15 o 68.90855 24.57565 153.3829       125.2855 153.3829       125.2855 0.000000       0.000000 68.90855 24.57565 ?        ?        0.000000       24.57565 
1 1 1 27  27 16 o 87.74381 25.02345 272.7480       135.0551 272.7480       135.0551 0.000000       0.000000 87.74381 25.02345 ?        ?        0.000000       25.02345 
1 1 1 27  27 17 o 67.16944 25.18642 138.6402       134.1182 138.6402       134.1182 0.000000       0.000000 67.16944 25.18642 ?        ?        0.000000       25.18642 
1 1 1 27  27 18 o 81.03622 25.42751 232.5221       134.5158 210.6303       148.5866 331.9633       316.6812 77.63617 26.83511 92.32999 37.47011 -14.69382      46.08831 
1 1 1 27  27 19 o 54.22048 24.98371 -64.86656      183.9658 -97.53867      210.6214 40.26160       377.8100 55.95512 26.10748 77.55521 35.76020 -21.60009      44.27631 
1 1 1 27  27 20 o 66.23689 27.67895 100.0112       179.6049 83.69991       190.3919 231.8448       541.2741 65.79034 28.04303 91.00187 42.25403 -25.21152      50.71306 
1 1 1 27  27 21 o 41.10395 19.95890 -206.7831      151.2225 -207.4810      156.6324 -197.1991      580.4075 42.04213 20.39069 80.06820 38.92996 -38.02607      43.94681 
1 1 1 27  27 22 o 74.93290 25.69908 196.2648       136.1843 178.2372       152.8378 265.7286       300.0132 72.83238 26.96907 85.95044 35.83427 -13.11806      44.84892 
1 1 1 27  28 0  o 108.7252 22.46106 397.8152       138.4809 371.4413       151.7326 529.3277       338.8243 103.3030 25.25894 111.5427 40.33651 -8.239677      47.59252 
1 1 1 27  28 1  o 97.28082 23.67533 324.3055       133.7781 274.5931       145.9512 585.5782       334.5976 88.44146 26.24579 116.9730 40.27646 -28.53158      48.07322 
1 1 1 27  28 2  o 68.25920 24.52647 145.2368       125.0303 182.5864       135.6442 -65.79255      322.4254 74.32694 25.64212 71.05196 32.85865 3.274986       41.67984 
1 1 1 27  28 3  o 61.57407 29.50248 -252.7685      304.8330 118.9810       434.0409 -614.6073      428.2161 87.09472 39.45527 63.41309 31.34929 23.68163       50.39342 
1 1 1 27  28 4  o 77.58179 24.56612 204.6500       125.2879 220.2514       129.9464 -1.315934      472.1498 80.11285 24.97029 84.18504 39.21553 -4.072189      46.49057 
1 1 1 27  28 5  o 59.82809 23.24302 91.81547       116.8643 84.27253       120.7671 202.8917       463.4351 59.29103 23.45005 91.86436 41.26777 -32.57334      47.46508 
1 1 1 27  28 6  o 173.0123 41.58117 1266.893       416.6638 1266.893       416.6638 0.000000       0.000000 173.0123 41.58117 ?        ?        0.000000       41.58117 
1 1 1 27  28 7  o 59.46653 24.13170 75.60263       131.3401 75.60263       131.3401 0.000000       0.000000 59.46653 24.13170 ?        ?        0.000000       24.13170 
1 1 1 27  28 8  o 60.49265 24.27289 84.58003       131.2388 84.58003       131.2388 0.000000       0.000000 60.49265 24.27289 ?        ?        0.000000       24.27289 
1 1 1 27  28 9  o 87.32746 24.77135 266.4998       132.7021 266.4998       132.7021 0.000000       0.000000 87.32746 24.77135 ?        ?        0.000000       24.77135 
1 1 1 27  28 10 o 75.56151 24.85048 194.6079       127.4302 194.6079       127.4302 0.000000       0.000000 75.56151 24.85048 ?        ?        0.000000       24.85048 
1 1 1 27  28 11 o 105.1338 22.16169 374.8447       132.3319 374.8447       132.3319 0.000000       0.000000 105.1338 22.16169 ?        ?        0.000000       22.16169 
1 1 1 27  28 12 f 175.5082 37.01963 1240.269       369.0393 1240.269       369.0393 0.000000       0.000000 175.5082 37.01963 ?        ?        0.000000       37.01963 
1 1 1 27  28 13 o 186.9165 14.45948 1086.929       157.2763 1086.929       157.2763 0.000000       0.000000 186.9165 14.45948 ?        ?        0.000000       14.45948 
1 1 1 27  28 14 f 73.85738 24.16748 186.8292       120.5856 186.8292       120.5856 0.000000       0.000000 73.85738 24.16748 ?        ?        0.000000       24.16748 
1 1 1 27  28 15 o 56.88951 23.32788 65.95776       124.2985 65.95776       124.2985 0.000000       0.000000 56.88951 23.32788 ?        ?        0.000000       23.32788 
1 1 1 27  28 16 o 42.00233 19.79730 -105.3807      126.4746 -105.3807      126.4746 0.000000       0.000000 42.00233 19.79730 ?        ?        0.000000       19.79730 
1 1 1 27  28 17 o 42.43747 20.57737 -210.2048      159.2583 -242.7843      174.7287 -50.27890      387.1248 43.65549 21.25604 74.40765 34.93503 -30.75216      40.89347 
1 1 1 27  28 18 o 76.95664 28.33685 206.1014       168.3250 224.9805       181.5771 90.74333       448.8424 79.53404 29.40553 82.70828 38.42854 -3.174240      48.38841 
1 1 1 27  28 19 f 68.83590 25.99213 150.4470       143.3844 144.1597       147.5724 256.5244       606.1602 68.29462 26.22880 92.70630 43.58562 -24.41168      50.86901 
1 1 1 27  28 20 o 61.75575 24.25844 104.5048       128.4529 94.70740       136.6701 178.7083       376.1235 61.37344 24.71997 83.30727 37.31983 -21.93383      44.76434 
1 1 1 27  28 21 o 46.90426 20.96881 -16.86358      118.0847 -36.88824      130.1838 76.09213       280.4868 47.39330 21.52464 72.21687 32.29875 -24.82357      38.81391 
1 1 1 27  29 0  o 64.35525 24.54525 118.0374       128.6435 26.07792       138.0339 725.7530       354.8441 54.95946 23.66048 127.2811 41.44503 -72.32166      47.72326 
1 1 1 27  29 1  o 52.36752 22.42010 24.47339       122.6615 84.35374       131.0409 -399.3311      348.6161 60.31960 24.23691 60.89727 29.73314 -0.5776711     38.35997 
1 1 1 27  29 2  o 43.10425 19.95699 -72.49454      119.4469 -63.63097      127.2975 -137.7786      345.4770 45.35060 20.85516 69.37868 32.70671 -24.02809      38.79003 
1 1 1 27  29 3  o 80.39091 24.39271 223.5159       125.0304 207.0490       130.4333 410.0220       438.9642 77.62568 25.11614 100.5595 42.71195 -22.93381      49.54928 
1 1 1 27  29 4  o 97.64096 22.42738 324.6936       125.7203 333.2038       130.4783 214.3487       469.8330 98.61945 22.98592 91.40464 41.26298 7.214813       47.23331 
1 1 1 27  29 5  o 148.9442 15.82174 698.0111       136.0945 675.8937       141.5472 968.6057       495.1014 145.8925 16.85256 134.7474 48.75506 11.14516       51.58551 
1 1 1 27  29 6  o 103.2467 21.56242 359.3144       126.3449 347.5991       131.2763 506.5170       465.3360 100.7971 22.74864 105.3728 44.32638 -4.575623      49.82297 
1 1 1 27  29 7  o 129.5028 43.64463 797.8710       392.5755 797.8710       392.5755 0.000000       0.000000 129.5028 43.64463 ?        ?        0.000000       43.64463 
1 1 1 27  29 8  o 77.15767 25.01727 205.9226       129.3680 205.9226       129.3680 0.000000       0.000000 77.15767 25.01727 ?        ?        0.000000       25.01727 
1 1 1 27  29 9  o 217.1870 13.56709 1455.391       171.9478 1455.391       171.9478 0.000000       0.000000 217.1870 13.56709 ?        ?        0.000000       13.56709 
1 1 1 27  29 10 o 122.4640 18.82462 489.2962       130.8811 489.2962       130.8811 0.000000       0.000000 122.4640 18.82462 ?        ?        0.000000       18.82462 
1 1 1 27  29 11 o 121.0430 19.21625 480.8245       131.8608 480.8245       131.8608 0.000000       0.000000 121.0430 19.21625 ?        ?        0.000000       19.21625 
1 1 1 27  29 12 o 99.41921 21.02380 334.0842       118.7469 334.0842       118.7469 0.000000       0.000000 99.41921 21.02380 ?        ?        0.000000       21.02380 
1 1 1 27  29 13 o 49.53883 21.35897 16.87349       112.8133 16.87349       112.8133 0.000000       0.000000 49.53883 21.35897 ?        ?        0.000000       21.35897 
1 1 1 27  29 14 o 95.97444 23.17183 320.8043       128.9356 320.8043       128.9356 0.000000       0.000000 95.97444 23.17183 ?        ?        0.000000       23.17183 
1 1 1 27  29 15 o 49.36252 22.68328 -59.04194      150.2067 -59.04194      150.2067 0.000000       0.000000 49.36252 22.68328 ?        ?        0.000000       22.68328 
1 1 1 27  29 16 o 70.78635 33.72167 -137.0733      386.2508 -137.0733      386.2508 0.000000       0.000000 70.78635 33.72167 ?        ?        0.000000       33.72167 
1 1 1 27  29 17 o 49.19749 22.72898 -68.32052      153.7062 -76.19463      159.5493 33.31412       573.2119 49.62762 23.00778 85.19762 40.72276 -35.57001      46.77287 
1 1 1 27  29 18 o 89.97780 24.37739 289.1590       131.8057 367.2639       142.1779 -188.3126      351.5337 101.7917 24.17714 66.25420 31.72808 35.53747       39.88991 
1 1 1 27  29 19 o 55.75552 22.66747 68.84437       116.1347 78.44022       132.4025 36.83404       241.8240 58.88599 24.10344 66.77942 29.91936 -7.893425      38.42062 
1 1 1 27  30 0  o 66.33051 24.74876 134.8845       129.1702 163.5047       138.5363 -55.56454      357.3689 70.85943 25.76854 72.80753 33.98264 -1.948105      42.64783 
1 1 1 27  30 1  o 136.1420 17.67061 596.2239       137.7637 638.2599       149.9264 368.2226       349.1694 140.2039 18.69922 95.64945 39.14603 44.55441       43.38286 
1 1 1 27  30 2  o 162.8668 16.19939 839.0917       152.6833 821.8092       162.2811 972.3694       450.6537 160.1665 17.56385 137.1798 46.75705 22.98669       49.94708 
1 1 1 27  30 3  o 64.78909 24.83367 121.8938       132.1142 168.3866       138.5244 -345.8657      439.3844 71.52824 25.80139 69.38464 33.76643 2.143600       42.49569 
1 1 1 27  30 4  o 54.60226 23.01888 43.40649       125.9233 3.186720       131.7825 465.7790       427.0568 51.50009 22.62893 101.8206 42.62410 -50.32051      48.25850 
1 1 1 27  30 5  o 85.53735 24.44254 257.9166       128.7324 212.3535       133.9976 803.7637       463.7950 77.93983 25.47437 122.7075 46.65208 -44.76763      53.15412 
1 1 1 27  30 6  f 105.0180 21.97059 375.5808       130.9634 355.5647       136.6946 599.3776       457.0753 101.1269 23.49727 109.2324 44.75614 -8.105545      50.54932 
1 1 1 27  30 7  o 54.40503 27.02355 -560.6628      332.5918 -560.6628      332.5918 0.000000       0.000000 54.40503 27.02355 ?        ?        0.000000       27.02355 
1 1 1 27  30 8  o 50.41304 22.08451 5.487480       124.6662 5.487480       124.6662 0.000000       0.000000 50.41304 22.08451 ?        ?        0.000000       22.08451 
1 1 1 27  30 9  o 60.16162 23.07170 101.4477       114.0712 101.4477       114.0712 0.000000       0.000000 60.16162 23.07170 ?        ?        0.000000       23.07170 
1 1 1 27  30 10 o 80.71045 23.29849 227.5789       116.3989 227.5789       116.3989 0.000000       0.000000 80.71045 23.29849 ?        ?        0.000000       23.29849 
1 1 1 27  30 11 o 96.79874 21.00326 317.9762       115.8023 317.9762       115.8023 0.000000       0.000000 96.79874 21.00326 ?        ?        0.000000       21.00326 
1 1 1 27  30 12 o 57.60576 22.51293 86.93622       110.1579 86.93622       110.1579 0.000000       0.000000 57.60576 22.51293 ?        ?        0.000000       22.51293 
1 1 1 27  30 13 o 65.41398 24.66269 131.7131       128.9814 131.7131       128.9814 0.000000       0.000000 65.41398 24.66269 ?        ?        0.000000       24.66269 
1 1 1 27  30 14 o 61.05389 27.93103 -30.20331      224.3470 -30.20331      224.3470 0.000000       0.000000 61.05389 27.93103 ?        ?        0.000000       27.93103 
1 1 1 27  30 15 o 97.08388 33.41113 385.4247       230.2419 385.4247       230.2419 0.000000       0.000000 97.08388 33.41113 ?        ?        0.000000       33.41113 
1 1 1 27  30 16 o 40.18708 19.31213 -153.7519      132.8059 -99.21074      135.7611 -1365.810      639.9924 43.97092 20.65844 64.07132 32.53169 -20.10040      38.53676 
1 1 1 27  30 17 o 53.51438 21.98495 57.01989       110.6637 81.47092       124.9148 -32.17179      238.5762 58.34843 23.58617 62.32858 28.62159 -3.980152      37.08778 
1 1 1 27  30 18 o 50.06142 21.11117 35.29887       105.9693 37.07115       120.6820 29.33067       221.4613 52.56561 22.36359 64.09779 28.68130 -11.53217      36.36959 
1 1 1 27  31 0  o 73.98058 32.23133 115.5114       262.3899 21.29072       443.8404 166.1329       325.3281 80.06069 37.53101 80.74501 35.51422 -0.6843185     51.67046 
1 1 1 27  31 1  f 53.16449 25.80101 -279.2000      251.7937 -449.1312      377.5418 -143.0621      337.9232 61.10655 30.06083 67.06184 31.83111 -5.955284      43.78211 
1 1 1 27  31 2  o 234.4312 13.24094 1697.482       181.3075 1692.237       195.1017 1730.689       490.9073 233.0529 14.34383 193.2012 44.27526 39.85178       46.54078 
1 1 1 27  31 3  o 42.61543 19.80275 -73.82224      119.2462 -123.7743      123.9223 550.8406       438.2236 40.22942 19.14668 105.1394 43.52624 -64.90999      47.55133 
1 1 1 27  31 4  o 78.93462 24.68783 220.3569       126.9080 226.2001       132.5809 156.4269       438.5378 79.73769 25.27375 85.01813 38.95295 -5.280434      46.43377 
1 1 1 27  31 5  o 91.30557 23.61490 293.6141       127.3935 372.4397       133.1209 -563.7590      439.0333 103.8881 22.50119 63.47334 31.44423 40.41481       38.66578 
1 1 1 27  31 6  o 55.85752 23.11145 60.08097       123.4576 83.13481       129.2444 -180.2086      417.2607 59.29006 23.98258 71.72684 34.40665 -12.43678      41.94022 
1 1 1 27  31 7  o 87.20122 23.67727 268.3316       124.1810 268.3316       124.1810 0.000000       0.000000 87.20122 23.67727 ?        ?        0.000000       23.67727 
1 1 1 27  31 8  f 100.1711 22.30493 346.3224       127.6710 346.3224       127.6710 0.000000       0.000000 100.1711 22.30493 ?        ?        0.000000       22.30493 
1 1 1 27  31 9  o 120.1464 18.87683 474.9896       128.6307 474.9896       128.6307 0.000000       0.000000 120.1464 18.87683 ?        ?        0.000000       18.87683 
1 1 1 27  31 10 o 57.64654 22.27354 90.76435       106.8783 90.76435       106.8783 0.000000       0.000000 57.64654 22.27354 ?        ?        0.000000       22.27354 
1 1 1 27  31 11 o 66.42973 23.40264 145.6346       113.3117 145.6346       113.3117 0.000000       0.000000 66.42973 23.40264 ?        ?        0.000000       23.40264 
1 1 1 27  31 12 o 69.72540 26.88951 154.1189       155.5534 154.1189       155.5534 0.000000       0.000000 69.72540 26.88951 ?        ?        0.000000       26.88951 
1 1 1 27  31 13 o 73.60090 32.50586 106.8346       275.1978 106.8346       275.1978 0.000000       0.000000 73.60090 32.50586 ?        ?        0.000000       32.50586 
1 1 1 27  31 14 o 70.57865 30.00795 120.6166       217.0468 120.6166       217.0468 0.000000       0.000000 70.57865 30.00795 ?        ?        0.000000       30.00795 
1 1 1 27  31 15 o 49.93618 21.92309 6.417593       123.4501 6.417593       123.4501 0.000000       0.000000 49.93618 21.92309 ?        ?        0.000000       21.92309 
1 1 1 27  31 16 o 66.82813 23.19760 150.1250       111.0861 150.2590       118.4990 149.1532       319.0853 67.10835 23.90432 78.08726 34.71713 -10.97891      42.15087 
1 1 1 27  32 0  o 111.5832 24.05718 439.4446       152.7930 280.5333       391.6755 467.9682       165.9401 88.51364 38.94809 114.1073 25.44502 -25.59368      46.52314 
1 1 1 27  32 1  o 132.8642 20.48068 591.0855       154.4676 651.2186       394.8188 580.2177       167.8467 112.5052 42.97830 129.6797 22.90681 -17.17448      48.70171 
1 1 1 27  32 2  o 132.2831 20.77302 587.8459       155.8543 322.4158       391.5076 637.8309       169.8967 90.91130 39.49182 136.9603 21.88796 -46.04898      45.15182 
1 1 1 27  32 3  o 51.82838 23.20435 -13.15899      145.1780 -836.5861      404.1800 108.8152       155.5594 55.08825 27.71412 64.64969 26.25246 -9.561436      38.17413 
1 1 1 27  32 4  o 44.79657 21.00525 -96.16300      139.1806 -618.5483      414.9427 -29.94024      147.7394 60.04965 29.88647 50.90532 23.04415 9.144333       37.73903 
1 1 1 27  32 5  o 130.3038 20.01105 566.0354       148.0433 68.14379       409.6881 640.8136       158.7718 79.34054 36.81243 138.6840 20.10647 -59.34345      41.94550 
1 1 1 27  32 6  o ?        ?        -725.1181      127.7557 -453.5514      393.1517 -757.1794      135.0868 61.80247 30.45597 ?        ?        0.000000       30.45597 
1 1 1 27  32 7  o 55.87736 23.12400 62.40391       123.6237 -92.45110      368.7519 82.01215       131.2173 70.56274 33.42207 59.07371 24.06538 11.48903       41.18467 
1 1 1 27  32 8  o 86.84652 22.86127 265.8966       118.0103 568.3310       342.5504 225.1689       125.7054 108.2577 40.32034 79.31287 24.53328 28.94486       47.19759 
1 1 1 27  32 9  o 149.2398 16.80536 716.6510       144.5358 625.3225       363.4642 733.8060       157.5267 111.6225 41.54083 149.8369 18.30571 -38.21444      45.39537 
1 1 1 27  32 10 o 62.18043 25.81021 88.30622       154.6611 214.9589       376.0200 62.51654       169.6784 84.13087 37.52777 61.30416 26.31001 22.82671       45.83176 
1 1 1 27  32 11 o 100.6924 41.28382 495.5455       389.2238 495.5455       389.2238 0.000000       0.000000 100.6924 41.28382 ?        ?        0.000000       41.28382 
1 1 1 27  32 12 o 65.70745 31.94936 -288.5107      391.0659 -288.5107      391.0659 0.000000       0.000000 65.70745 31.94936 ?        ?        0.000000       31.94936 
1 1 1 27  32 13 o 67.41645 32.61944 -232.4720      394.7574 -232.4720      394.7574 0.000000       0.000000 67.41645 32.61944 ?        ?        0.000000       32.61944 
1 1 1 27  33 0  o 48.35523 22.36230 -65.20612      149.3344 368.6910       347.3547 -163.5873      165.4001 91.99207 38.47071 45.30620 21.71426 46.68587       44.17584 
1 1 1 27  33 1  o 108.5690 24.39699 422.1731       151.5474 59.75323       339.3666 512.4473       169.3733 74.36360 34.14372 119.4394 24.98379 -45.07581      42.30819 
1 1 1 27  33 2  o 118.1549 22.05999 481.8709       147.2443 292.9360       341.6410 524.9725       163.1776 87.11662 37.35949 122.1192 23.63825 -35.00259      44.20971 
1 1 1 27  33 3  o 51.96003 23.26372 -9.323232      145.9288 -361.9850      350.4936 64.63023       160.5019 60.06918 29.43101 60.29230 25.72513 -0.2231216     39.08921 
1 1 1 27  33 4  f 47.46410 21.97702 -67.72471      144.8871 -99.09579      348.8598 -61.18569      159.2731 68.38504 32.42506 50.22501 23.17991 18.16003       39.85841 
1 1 1 27  33 5  o 56.46165 24.16918 46.53971       142.5065 477.4683       318.6075 -61.23196      159.3330 100.9984 38.60181 50.24219 23.18657 50.75623       45.03017 
1 1 1 27  33 6  o 97.10321 34.78092 404.1241       251.2188 422.7129       334.6531 380.1243       380.2537 96.12909 38.69490 92.84980 39.60581 3.279289       55.37071 
1 1 1 27  33 7  o 35.31483 17.48996 -269.1909      135.4884 -204.1754      362.8380 -279.7254      146.0531 65.83482 31.70964 36.89917 18.25383 28.93566       36.58830 
1 1 1 27  33 8  o 94.22550 25.03602 323.0812       140.6916 787.8734       388.9564 253.1143       150.9100 122.3805 43.33674 82.59208 27.03663 39.78839       51.07889 
1 1 1 27  33 9  o 54.99084 23.96417 27.09524       145.1285 78.45163       384.3288 18.55427       156.7326 77.67197 35.90406 55.81265 24.59534 21.85932       43.52048 
1 1 1 27  33 10 f 95.16868 26.94020 340.1210       157.1201 -250.2627      407.0957 443.4578       170.3166 67.53661 32.78305 109.2156 26.79533 -41.67898      42.34050 
1 1 1 27  33 11 o 87.48864 25.83404 283.5260       141.6943 245.4379       393.9695 289.1848       151.8559 85.13066 38.16134 87.66721 26.93774 -2.536545      46.71114 
1 1 1 27  34 0  o 134.9231 19.24548 606.7189       147.9767 129.6421       278.9464 793.5521       174.5636 74.12417 32.73220 154.0247 19.78080 -79.90057      38.24496 
1 1 1 27  34 1  o 144.9672 17.63268 686.1964       146.8332 156.5890       283.9126 879.5753       171.5585 76.14651 33.34345 163.8093 18.16244 -87.66281      37.96920 
1 1 1 27  34 2  o 97.37744 26.73806 356.1609       157.3367 281.9685       299.9960 384.3115       184.7904 85.21745 35.70275 98.74959 29.58725 -13.53214      46.36908 
1 1 1 27  34 3  o 65.57469 26.00113 127.4957       148.8230 -270.7099      276.3826 290.1012       176.6138 55.45747 26.94104 86.48256 29.27371 -31.02509      39.78404 
1 1 1 27  34 4  o 56.56841 24.09832 51.86972       140.4535 -407.5858      304.2142 176.3394       158.3396 54.23324 26.73824 71.93476 27.27958 -17.70152      38.19829 
1 1 1 27  34 5  o 59.43574 24.41372 83.53010       136.4374 503.9951       324.0373 -7.076107      150.4212 102.2519 38.96618 52.67856 23.59972 49.57334       45.55557 
1 1 1 27  34 6  o 72.34622 33.70513 12.35394       348.9650 12.35394       348.9650 0.000000       0.000000 72.34622 33.70513 ?        ?        0.000000       33.70513 
1 1 1 27  34 7  o 102.9227 25.42274 389.2241       152.5419 448.4322       377.6017 377.6771       166.7544 95.97599 40.12189 99.46213 27.61099 -3.486137      48.70455 
1 1 1 27  35 0  o 55.23464 24.27208 26.09743       151.6469 -59.02306      294.4671 56.82060       176.9101 64.73256 30.41651 60.70869 26.45709 4.023872       40.31305 
1 1 1 28  0  0  f 59.30087 40.32784 -202.4602      426.6157 -202.4602      426.6157 -202.4602      426.6157 59.30087 40.32784 59.30087 40.32784 0.000000       0.000000 
1 1 1 28  0  1  o 136.1904 55.06124 797.5560       429.5365 797.5560       429.5365 797.5560       429.5365 136.1904 55.06124 136.1904 55.06124 0.000000       0.000000 
1 1 1 28  0  2  o 62.68256 41.75790 -95.24770      415.1158 -95.24770      415.1158 -95.24770      415.1158 62.68256 41.75790 62.68256 41.75790 0.000000       0.000000 
1 1 1 28  0  3  o 50.52394 35.64107 -466.1553      421.6406 -466.1553      421.6406 -466.1553      421.6406 50.52394 35.64107 50.52394 35.64107 0.000000       0.000000 
1 1 1 28  0  4  o 98.76565 52.99775 448.0279       422.0986 448.0279       422.0986 448.0279       422.0986 98.76565 52.99775 98.76565 52.99775 0.000000       0.000000 
1 1 1 28  0  5  o 66.60207 44.20764 -81.32088      458.1750 -81.32088      458.1750 -81.32088      458.1750 66.60207 44.20764 66.60207 44.20764 0.000000       0.000000 
1 1 1 28  0  6  o 226.7789 39.74158 1694.858       480.0440 1694.858       480.0440 1694.858       480.0440 226.7789 39.74158 226.7789 39.74158 0.000000       0.000000 
1 1 1 28  0  7  o 62.12845 42.60182 -280.3856      497.9106 -280.3856      497.9106 -280.3856      497.9106 62.12845 42.60182 62.12845 42.60182 0.000000       0.000000 
1 1 1 28  0  8  o 396.3051 27.76873 4777.041       638.0010 4777.041       638.0010 4777.041       638.0010 396.3051 27.76873 396.3051 27.76873 0.000000       0.000000 
1 1 1 28  0  9  o 346.3705 32.27634 3717.439       641.8300 3717.439       641.8300 3717.439       641.8300 346.3705 32.27634 346.3705 32.27634 0.000000       0.000000 
1 1 1 28  0  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  0  11 o 196.8964 57.06628 1479.472       571.7408 1479.472       571.7408 1479.472       571.7408 196.8964 57.06628 196.8964 57.06628 0.000000       0.000000 
1 1 1 28  0  12 o 330.4590 33.59568 3415.748       634.4202 3415.748       634.4202 3415.748       634.4202 330.4590 33.59568 330.4590 33.59568 0.000000       0.000000 
1 1 1 28  0  13 o 234.5972 51.39586 1940.328       619.1080 1940.328       619.1080 1940.328       619.1080 234.5972 51.39586 234.5972 51.39586 0.000000       0.000000 
1 1 1 28  0  14 o 260.0112 42.69571 2244.538       598.3711 2244.538       598.3711 2244.538       598.3711 260.0112 42.69571 260.0112 42.69571 0.000000       0.000000 
1 1 1 28  0  15 o 223.4220 30.72385 1590.877       380.9608 1590.877       380.9608 1590.877       380.9608 223.4220 30.72385 223.4220 30.72385 0.000000       0.000000 
1 1 1 28  0  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  0  17 o 152.3281 60.73596 1041.111       524.9700 1041.111       524.9700 1041.111       524.9700 152.3281 60.73596 152.3281 60.73596 0.000000       0.000000 
1 1 1 28  0  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  0  19 o 75.34954 47.53661 156.2423       445.8495 156.2423       445.8495 156.2423       445.8495 75.34954 47.53661 75.34954 47.53661 0.000000       0.000000 
1 1 1 28  0  20 o 89.94138 51.78008 389.6320       437.9127 389.6320       437.9127 389.6320       437.9127 89.94138 51.78008 89.94138 51.78008 0.000000       0.000000 
1 1 1 28  0  21 o 55.37712 38.09685 -208.8163      405.7475 -208.8163      405.7475 -208.8163      405.7475 55.37712 38.09685 55.37712 38.09685 0.000000       0.000000 
1 1 1 28  0  22 o 55.63876 38.32000 -211.1189      413.2522 -211.1189      413.2522 -211.1189      413.2522 55.63876 38.32000 55.63876 38.32000 0.000000       0.000000 
1 1 1 28  0  23 o 160.5270 49.39051 1045.120       406.6340 1045.120       406.6340 1045.120       406.6340 160.5270 49.39051 160.5270 49.39051 0.000000       0.000000 
1 1 1 28  0  24 o 47.70513 33.39470 -282.4922      349.0932 -282.4922      349.0932 -282.4922      349.0932 47.70513 33.39470 47.70513 33.39470 0.000000       0.000000 
1 1 1 28  0  25 o 43.35187 30.83773 -396.4049      339.0069 -396.4049      339.0069 -396.4049      339.0069 43.35187 30.83773 43.35187 30.83773 0.000000       0.000000 
1 1 1 28  0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  0  27 o 42.06167 29.69868 -290.3510      294.9360 -290.3510      294.9360 -290.3510      294.9360 42.06167 29.69868 42.06167 29.69868 0.000000       0.000000 
1 1 1 28  0  28 o 64.78027 39.83919 166.9583       293.4537 166.9583       293.4537 166.9583       293.4537 64.78027 39.83919 64.78027 39.83919 0.000000       0.000000 
1 1 1 28  0  29 o 57.47607 36.92888 75.27392       284.1039 75.27392       284.1039 75.27392       284.1039 57.47607 36.92888 57.47607 36.92888 0.000000       0.000000 
1 1 1 28  0  30 o 65.20678 40.26042 176.0013       302.5016 176.0013       302.5016 176.0013       302.5016 65.20678 40.26042 65.20678 40.26042 0.000000       0.000000 
1 1 1 28  0  31 o 63.07177 39.93221 140.0470       317.7766 140.0470       317.7766 140.0470       317.7766 63.07177 39.93221 63.07177 39.93221 0.000000       0.000000 
1 1 1 28  0  32 o 101.3050 48.70624 555.8940       334.4705 555.8940       334.4705 555.8940       334.4705 101.3050 48.70624 101.3050 48.70624 0.000000       0.000000 
1 1 1 28  0  33 o 72.58555 44.40263 265.7561       360.1291 265.7561       360.1291 265.7561       360.1291 72.58555 44.40263 72.58555 44.40263 0.000000       0.000000 
1 1 1 28  0  34 o 118.2322 54.81355 791.4305       420.2434 791.4305       420.2434 791.4305       420.2434 118.2322 54.81355 118.2322 54.81355 0.000000       0.000000 
1 1 1 28  0  35 o 75.81046 47.48815 302.1162       436.4304 302.1162       436.4304 302.1162       436.4304 75.81046 47.48815 75.81046 47.48815 0.000000       0.000000 
1 1 1 28  1  0  o 306.3897 19.36263 2817.390       346.1482 3158.586       490.1257 2477.855       488.9314 321.4957 26.22207 282.7622 29.93747 38.73346       39.79760 
1 1 1 28  1  1  o 296.6268 19.42897 2641.873       336.1348 2868.861       476.1089 2416.295       474.6273 306.0206 26.79820 279.4469 29.40021 26.57373       39.78085 
1 1 1 28  1  2  o 176.5824 30.35946 981.7856       303.0754 1179.449       438.5043 801.0019       419.3630 189.4224 40.68665 155.0086 44.05790 34.41374       59.97085 
1 1 1 28  1  3  o 114.7844 38.77300 401.6673       309.8277 509.2810       438.1198 294.0116       438.2053 129.5510 45.98259 113.4803 44.73550 16.07069       64.15343 
1 1 1 28  1  4  o 181.1145 31.39562 1037.036       321.4026 1157.255       446.9346 908.2811       462.5303 186.9511 41.81215 164.0521 46.14770 22.89908       62.27251 
1 1 1 28  1  5  o 225.4598 27.17329 1570.067       352.0673 1420.147       473.9252 1754.687       525.9211 208.2606 40.25846 232.1449 40.07694 -23.88429      56.80585 
1 1 1 28  1  6  o 336.2148 20.39374 3403.435       400.2367 3000.016       560.6780 3822.604       571.5181 310.1822 31.24632 352.5119 27.87093 -42.32968      41.87029 
1 1 1 28  1  7  o 101.8607 40.19884 227.1303       354.1817 622.8120       475.1570 -267.6009      531.3111 139.0925 47.99204 92.73878 42.63248 46.35370       64.19318 
1 1 1 28  1  8  o 255.1779 26.85596 2010.898       395.8966 2196.992       536.3326 1788.107       586.8344 261.9450 35.85166 230.4719 45.03108 31.47313       57.55988 
1 1 1 28  1  9  o 226.4784 31.32053 1619.334       404.8891 1071.532       531.5420 2376.524       624.9253 175.1322 49.54263 268.9914 40.89967 -93.85919      64.24371 
1 1 1 28  1  10 o 204.1527 51.66668 1477.342       619.0375 0.000000       0.000000 1477.342       619.0375 ?        ?        204.1527 51.66668 0.000000       51.66668 
1 1 1 28  1  11 o 271.8431 26.48940 2284.565       416.9687 2496.441       567.0812 2035.189       615.2216 278.8522 35.47746 245.6434 44.33575 33.20882       56.78300 
1 1 1 28  1  12 o 378.0384 21.37058 4331.988       471.8788 4058.238       634.3641 4671.106       706.0523 359.9934 30.32828 385.4098 31.51143 -25.41641      43.73528 
1 1 1 28  1  13 o 495.9238 19.53107 7412.425       566.9456 6924.440       771.3892 7985.684       836.0762 472.6557 27.95257 507.4358 28.20502 -34.78006      39.70981 
1 1 1 28  1  14 o 451.5177 27.81625 6327.453       733.0109 6327.453       733.0109 0.000000       0.000000 451.5177 27.81625 ?        ?        0.000000       27.81625 
1 1 1 28  1  15 o 229.5877 23.97289 1627.147       318.0387 1545.549       374.7431 1837.247       601.3218 220.8351 29.68561 229.9428 46.19499 -9.107727      54.91095 
1 1 1 28  1  16 o 331.2543 21.50210 3348.810       415.4702 3348.810       415.4702 0.000000       0.000000 331.2543 21.50210 ?        ?        0.000000       21.50210 
1 1 1 28  1  17 o 71.50207 32.98795 -186.1910      322.1597 -235.6974      406.8489 -102.9680      527.5018 79.29858 36.75548 96.20422 43.54765 -16.90565      56.98564 
1 1 1 28  1  18 o 134.3191 39.82529 625.5815       336.1707 1060.700       474.4360 186.8441       476.4046 170.6167 46.26032 105.1382 44.56979 65.47849       64.23772 
1 1 1 28  1  19 o 98.08495 38.28532 257.4049       318.2579 -65.17558      433.6966 633.8085       468.4830 88.08914 39.71641 132.9426 47.51054 -44.85341      61.92451 
1 1 1 28  1  20 o 65.53224 30.54855 -193.9779      287.3351 -616.5430      401.3749 250.2214       411.5213 64.88598 31.72849 102.4964 42.28127 -37.61037      52.86211 
1 1 1 28  1  21 o 68.10504 31.65844 -178.4872      305.1826 125.2080       444.6317 -449.0005      419.6388 96.35468 41.96840 71.06565 34.19662 25.28903       54.13645 
1 1 1 28  1  22 o 91.67407 37.27922 207.6597       314.2053 228.0156       432.0505 184.8079       457.7710 100.3298 42.48402 99.43301 42.94901 0.8967590      60.41117 
1 1 1 28  1  23 o 67.58547 30.82460 -89.30101      270.5299 -116.6201      382.1184 -61.84747      383.0573 78.37463 36.07491 80.91372 36.81656 -2.539093      51.54472 
1 1 1 28  1  24 o 97.17279 34.48391 317.3053       246.3890 349.3404       354.6738 287.4253       342.5363 103.3824 40.39803 98.16618 39.27393 5.216225       56.34219 
1 1 1 28  1  25 o 54.12855 26.03476 -285.7531      242.5916 -494.1767      349.6710 -92.34364      336.8411 60.85223 29.72563 74.17239 34.04134 -13.32015      45.19320 
1 1 1 28  1  26 o 58.35169 26.96804 -110.5089      216.6755 237.2174       327.4991 -381.2079      288.9580 92.09846 37.82669 56.68764 27.54061 35.41082       46.79042 
1 1 1 28  1  27 o 74.09100 30.00188 130.5888       202.5105 199.2376       286.7195 62.25163       286.0677 86.22466 35.40152 76.54208 33.49438 9.682579       48.73542 
1 1 1 28  1  28 o 57.78108 26.48325 -78.56120      202.9530 -38.16359      286.1899 -119.4303      287.8550 70.32683 31.93007 66.38875 30.82161 3.938080       44.37906 
1 1 1 28  1  29 o 44.66558 21.94669 -343.9310      199.3048 -569.6688      286.6351 -132.6346      277.3150 50.33045 25.01439 64.23363 29.96578 -13.90318      39.03418 
1 1 1 28  1  30 o 79.52486 31.28040 189.5532       213.8301 418.3513       303.6177 -35.61495      301.1996 103.3410 38.05661 71.05573 32.45229 32.28531       50.01456 
1 1 1 28  1  31 o 89.69803 32.56873 288.8399       221.1847 193.7086       309.0239 388.7704       316.7230 84.73072 35.90650 99.85295 38.40551 -15.12223      52.57623 
1 1 1 28  1  32 o 51.12538 24.77795 -282.0881      230.1890 -263.4149      321.8235 -301.6486      329.3809 62.83868 30.16240 62.31059 30.06223 0.5280876      42.58530 
1 1 1 28  1  33 f 83.23584 33.76651 219.7310       257.0587 599.3449       369.2638 -137.2095      358.0664 114.9005 42.02641 70.47799 33.24705 44.42255       53.58718 
1 1 1 28  1  34 o 73.61546 32.80495 60.90198       286.5990 409.2903       388.6517 -354.3615      424.3172 99.61745 41.09124 68.59444 33.33637 31.02301       52.91317 
1 1 1 28  1  35 o 124.7085 39.24820 679.7837       320.2489 672.4893       493.9821 685.0721       420.6139 113.7215 46.55400 117.6497 44.49672 -3.928261      64.39901 
1 1 1 28  2  0  o 229.0830 23.95811 1600.992       317.1274 1581.466       445.2257 1621.101       451.8187 222.8642 35.23335 225.6611 35.29510 -2.796875      49.87116 
1 1 1 28  2  1  o 188.7211 29.21357 1113.227       312.8992 711.6494       428.8336 1570.439       457.5762 146.7372 45.29994 221.4383 36.50478 -74.70114      58.17804 
1 1 1 28  2  2  o 240.1511 24.48148 1761.126       339.9875 2172.720       469.1088 1305.722       493.4434 264.0857 30.87027 198.0375 43.66211 66.04819       53.47292 
1 1 1 28  2  3  o 262.4262 22.20477 2086.248       338.5419 1727.282       454.9469 2531.664       506.7770 233.4917 34.23993 285.2870 30.77537 -51.79533      46.03799 
1 1 1 28  2  4  o 98.00604 38.45815 208.2503       322.5588 585.5753       429.7482 -278.5901      488.1458 135.5042 45.66423 88.34333 40.70332 47.16084       61.17174 
1 1 1 28  2  5  o 221.9689 26.18219 1517.408       334.2879 1524.416       444.5767 1508.292       507.0734 218.0690 36.01814 213.8214 41.93517 4.247635       55.27987 
1 1 1 28  2  6  o 97.43548 38.84547 190.3958       333.9266 504.9798       440.9653 -232.5228      511.2867 128.8884 46.09040 92.25865 42.19116 36.62971       62.48535 
1 1 1 28  2  7  o 791.4517 20.92271 18851.21       970.3127 18623.56       1327.706 19112.18       1421.555 777.3259 29.17560 785.1114 30.93375 -7.785461      42.52191 
1 1 1 28  2  8  o 82.22968 36.89901 -109.0834      369.3805 -222.6301      471.5229 71.28927       594.2933 88.32327 40.43882 111.8318 48.61715 -23.50852      63.23705 
1 1 1 28  2  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  2  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  2  11 o 220.6940 33.84021 1562.214       424.0501 1325.105       563.4031 1872.063       644.0507 194.0737 49.38527 232.0901 48.86406 -38.01640      69.47374 
1 1 1 28  2  12 o 548.7593 19.13276 9059.173       614.8157 8504.594       824.5446 9753.598       922.6675 525.2936 26.85375 561.3255 28.11673 -36.03186      38.88026 
1 1 1 28  2  13 o 441.3383 19.94235 5880.157       514.8433 5234.268       689.5140 6693.985       773.9811 409.9681 28.86202 464.0857 28.57544 -54.11755      40.61492 
1 1 1 28  2  14 o 338.4551 35.35905 3687.849       691.5205 0.000000       0.000000 3687.849       691.5205 ?        ?        338.4551 35.35905 0.000000       35.35905 
1 1 1 28  2  15 o 154.4699 41.13913 816.7316       379.3249 256.5739       481.3344 1734.770       616.2007 111.4528 45.82586 221.1273 48.82207 -109.6745      66.95972 
1 1 1 28  2  16 o 421.7475 17.36810 5350.782       428.6721 5644.404       586.6128 5014.304       627.9653 428.8187 23.41414 401.3112 26.83532 27.50748       35.61399 
1 1 1 28  2  17 o 63.28864 30.14869 -337.5648      308.6751 -240.4782      378.3196 -530.9050      533.8760 75.87903 35.26406 82.21118 39.29676 -6.332153      52.79952 
1 1 1 28  2  18 o 141.6775 36.83592 687.2374       308.8793 1035.448       384.8057 56.47689       517.9081 173.3544 38.81694 101.4469 44.70721 71.90746       59.20718 
1 1 1 28  2  19 o 83.50208 35.74241 68.65242       311.6295 15.97118       421.8053 131.9643       462.4094 90.81725 40.17025 99.97570 43.17467 -9.158455      58.97204 
1 1 1 28  2  20 o 87.85326 36.29205 150.4493       303.7699 144.2367       398.8205 159.0335       468.8064 95.05167 40.55360 100.7593 43.49249 -5.707603      59.46588 
1 1 1 28  2  21 f 68.80086 33.43768 -553.2131      426.9854 0.000000       0.000000 -553.2131      426.9854 ?        ?        68.80086 33.43768 0.000000       33.43768 
1 1 1 28  2  22 o 85.18271 35.20066 150.8544       285.9043 264.1745       395.0863 26.27215       414.2539 100.4529 41.43235 88.30225 39.38893 12.15067       57.16754 
1 1 1 28  2  23 o 82.75471 33.63383 157.7537       255.5958 263.7679       338.7034 17.52866       389.5385 96.69143 38.92588 85.23938 38.09734 11.45205       54.46679 
1 1 1 28  2  24 o 85.67425 33.05832 210.4134       235.2053 415.6496       324.3244 -17.28207      341.6094 108.2030 39.41563 78.81730 35.41679 29.38569       52.99001 
1 1 1 28  2  25 o 87.63676 33.30069 234.6909       236.2365 -186.0031      341.8002 619.4515       326.8770 70.51704 33.01795 127.0667 39.60323 -56.54968      51.56162 
1 1 1 28  2  26 o 72.04668 30.01317 95.86659       210.2099 -82.64011      305.4937 256.3912       289.6982 70.80717 32.46785 91.61787 36.29305 -20.81071      48.69647 
1 1 1 28  2  27 o 49.25081 23.37320 -174.0924      182.0541 -631.2645      274.4890 184.9644       243.2577 47.58174 23.77895 82.24113 33.03021 -34.65939      40.69930 
1 1 1 28  2  28 o 50.01014 23.84949 -196.9167      194.2632 -351.3358      270.3230 -32.00138      279.3592 54.81597 26.63278 69.91852 31.66589 -15.10255      41.37673 
1 1 1 28  2  29 o 58.92190 26.79136 -55.01424      202.4048 -160.8000      288.4570 47.58567       284.0803 64.19321 30.14461 74.59666 32.98227 -10.40346      44.68252 
1 1 1 28  2  30 o 91.25331 32.37303 298.6951       217.1325 332.9958       302.9291 262.4519       311.3890 95.74568 37.35779 90.37364 36.97498 5.372040       52.56190 
1 1 1 28  2  31 o 130.1952 29.29827 611.4382       218.2897 896.0934       314.7291 347.5692       303.0202 151.4265 35.97481 96.23797 37.41628 55.18851       51.90534 
1 1 1 28  2  32 o 77.00594 31.36498 164.2578       222.8449 148.2325       317.2204 179.8716       313.1202 81.84517 35.55089 83.62811 35.81277 -1.782936      50.46207 
1 1 1 28  2  33 o 67.58234 30.59233 -6.481643      260.3430 -246.9022      355.5215 271.5150       382.2961 66.27975 31.78467 91.45361 39.37374 -25.17385      50.60194 
1 1 1 28  2  34 o 88.46529 37.59789 252.0771       340.4948 414.8248       412.3261 -96.84641      603.7381 100.0242 41.87803 85.90932 41.25614 14.11489       58.78638 
1 1 1 28  2  35 o 80.05860 36.16095 93.32568       361.4104 351.4786       466.2833 -295.1336      571.9843 96.48634 42.47466 79.08346 38.49536 17.40288       57.32355 
1 1 1 28  3  0  o 282.7910 19.73447 2404.573       325.2428 2677.451       451.5329 2110.320       468.8831 295.7236 26.30908 259.9460 31.39098 35.77753       40.95805 
1 1 1 28  3  1  o 321.1114 18.74161 3090.177       351.4157 3253.387       479.2398 2900.350       516.8414 326.7196 25.20551 306.4525 29.10598 20.26715       38.50294 
1 1 1 28  3  2  f 86.61190 36.43944 66.67049       314.5433 -185.1283      409.2290 430.1901       491.7038 83.64671 38.05752 126.0616 48.00956 -42.41489      61.26412 
1 1 1 28  3  3  o 150.1643 37.35157 736.8491       327.5867 900.2471       431.5806 514.7463       503.1710 163.8887 43.98654 132.4846 48.95618 31.40408       65.81431 
1 1 1 28  3  4  o 240.3668 24.47266 1765.782       340.1836 1860.262       447.4469 1636.366       523.6824 243.3567 32.13535 223.2201 41.53026 20.13660       52.51137 
1 1 1 28  3  5  o 213.1627 27.71058 1409.341       338.2319 1144.353       429.3466 1842.796       549.1194 186.2256 40.46990 237.3538 40.92523 -51.12828      57.55595 
1 1 1 28  3  6  o 455.1478 17.85423 6194.684       475.6646 5811.168       610.7898 6785.751       758.2610 437.4708 23.89707 470.1677 27.62057 -32.69690      36.52349 
1 1 1 28  3  7  o 111.0288 41.39885 337.2037       361.3184 98.11978       449.4685 773.9216       607.4697 101.5564 43.18086 152.6673 54.14930 -51.11088      69.25845 
1 1 1 28  3  8  o 360.0672 20.01597 3906.080       421.0157 3556.465       527.5535 4519.297       698.6804 340.0234 26.66821 380.0325 31.63443 -40.00903      41.37548 
1 1 1 28  3  9  o 98.53255 40.39273 164.6250       372.5376 502.4642       463.8185 -449.5320      625.3638 128.7139 47.09727 94.84242 44.48886 33.87144       64.78744 
1 1 1 28  3  10 o 76.01711 35.20028 -244.9542      371.7919 -411.1964      453.2279 97.07265       650.0939 79.12886 37.35138 116.3675 50.71518 -37.23867      62.98536 
1 1 1 28  3  11 o 291.4460 25.71302 2617.170       434.9999 2719.519       575.8372 2481.131       663.8798 291.8411 34.29753 272.5804 42.94816 19.26068       54.96239 
1 1 1 28  3  12 o 225.1654 33.62801 1627.123       430.4840 2105.181       598.4620 1114.557       619.6851 250.9493 42.15627 175.1298 54.52000 75.81955       68.91721 
1 1 1 28  3  13 o 575.8125 27.38874 10251.64       922.2676 10251.64       922.2676 0.000000       0.000000 575.8125 27.38874 ?        ?        0.000000       27.38874 
1 1 1 28  3  14 o 154.7335 46.25243 834.7733       451.9869 751.5328       645.8881 914.6559       632.7271 149.0523 55.39427 159.6284 55.36585 -10.57613      78.31924 
1 1 1 28  3  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  3  16 o 202.8724 29.28119 1311.369       338.3169 1247.923       417.0150 1433.533       578.6611 192.6674 38.25526 198.5070 49.79590 -5.839676      62.79409 
1 1 1 28  3  17 o 77.69780 34.63619 -57.51866      319.7771 -112.1032      384.9919 63.92393       574.2520 82.23659 37.21624 106.5977 47.02267 -24.36110      59.96815 
1 1 1 28  3  18 o 113.1269 38.07451 422.4928       298.7684 594.0274       370.1441 101.7910       506.1110 130.4857 42.31737 102.5354 44.71638 27.95039       61.56553 
1 1 1 28  3  19 o 125.1226 37.46528 543.6870       296.3687 527.9152       366.5529 573.4614       503.6379 123.1203 42.16405 128.5173 48.67165 -5.397049      64.39516 
1 1 1 28  3  20 o 79.52695 34.53295 37.60137       299.1178 457.2016       404.8765 -466.6360      443.8357 116.5625 43.74947 73.43906 35.29496 43.12347       56.21165 
1 1 1 28  3  21 o 74.93718 33.60305 -42.45850      305.7493 -66.28378      402.5285 -9.965980      470.0774 83.46403 37.88409 91.57289 41.31231 -8.108864      56.05276 
1 1 1 28  3  22 o 51.11477 25.21201 -511.4233      271.5074 -213.5538      359.2458 -908.1945      414.6185 72.34829 33.86721 58.96180 29.42896 13.38649       44.86704 
1 1 1 28  3  23 o 154.7529 28.58665 803.8931       249.8943 763.0272       322.0470 865.7333       396.1626 144.1329 37.68156 149.2125 42.95469 -5.079559      57.14022 
1 1 1 28  3  24 o 70.67226 30.24507 52.84212       223.0654 107.3299       298.3281 -16.24833      335.9338 82.19483 35.07141 78.27669 35.15189 3.918144       49.65540 
1 1 1 28  3  25 o 57.74634 27.04264 -161.0465      229.4341 -1.251069      310.1219 -354.2596      341.0110 76.05905 33.99358 64.11127 30.84423 11.94778       45.90130 
1 1 1 28  3  26 o 84.63647 31.18494 227.7436       203.9167 355.4964       279.3492 82.01942       298.3514 100.1453 36.56535 79.31619 34.46465 20.82913       50.24775 
1 1 1 28  3  27 o 46.33718 22.34306 -231.8435      181.3255 -134.7579      268.4691 -313.2806      245.8829 63.60939 29.61073 53.02483 25.67713 10.58456       39.19324 
1 1 1 28  3  28 o 50.21668 23.87999 -184.5427      191.9544 -96.24732      270.4344 -274.1962      272.5064 65.47471 30.21316 57.86004 27.76811 7.614666       41.03539 
1 1 1 28  3  29 o 45.42627 22.22769 -315.9214      197.9633 -461.5892      278.9692 -168.1605      280.9664 52.21776 25.71767 62.95627 29.62221 -10.73851      39.22849 
1 1 1 28  3  30 o 48.03660 23.41677 -307.7208      213.8048 -140.3465      298.3323 -484.4627      306.5672 65.73465 30.80071 54.68657 26.93864 11.04808       40.91912 
1 1 1 28  3  31 o 93.58827 32.64901 324.0844       220.1877 456.7751       311.1619 190.9999       311.6234 105.7874 38.59656 84.57893 35.95821 21.20844       52.75118 
1 1 1 28  3  32 o 105.6304 33.34838 430.9063       231.0347 96.40736       321.9266 786.1526       331.7602 79.02911 35.01795 136.8233 39.28370 -57.79419      52.62571 
1 1 1 28  3  33 o 102.0033 35.54408 416.7426       260.9271 953.6708       341.8710 -332.4592      403.8347 151.8914 38.37122 67.76427 32.83654 84.12710       50.50336 
1 1 1 28  3  34 o 109.5873 39.70868 525.0964       328.5699 488.1984       392.9195 610.8953       599.1608 104.8911 42.02965 109.4380 48.16303 -4.546936      63.92315 
1 1 1 28  3  35 o 130.3207 43.25854 807.9523       385.8586 732.8735       477.2953 949.5850       655.5573 117.8634 46.61801 121.8073 51.98169 -3.943893      69.82360 
1 1 1 28  4  0  o 198.8736 26.62047 1222.695       302.6961 1191.047       406.6077 1262.038       453.3508 191.6833 37.51305 195.8863 40.78930 -4.202957      55.41656 
1 1 1 28  4  1  o 191.0040 29.64037 1142.811       321.2738 1196.070       422.2921 1069.625       495.0268 191.4259 38.94205 177.4625 46.87360 13.96342       60.93946 
1 1 1 28  4  2  o 254.7072 21.95758 1965.408       324.8029 1672.759       434.1059 2337.599       489.5588 230.1716 33.10976 273.8032 31.03371 -43.63152      45.38004 
1 1 1 28  4  3  o 73.97523 33.46980 -133.8130      311.1674 -307.9015      402.5198 124.7287       490.5323 77.64793 36.18317 107.0015 45.28672 -29.35358      57.96645 
1 1 1 28  4  4  o 94.05503 37.80062 163.9773       318.8265 142.8807       406.5054 197.6975       513.9310 100.7402 41.83238 112.7605 46.94755 -12.02037      62.88100 
1 1 1 28  4  5  o 141.9107 38.97657 662.8999       334.2805 855.7545       410.3175 282.2679       576.4448 159.7906 42.89046 121.5678 50.08421 38.22285       65.93951 
1 1 1 28  4  6  o 164.4908 35.91201 881.1243       336.7042 1025.008       414.8758 603.4838       576.3076 175.4365 41.05437 140.5624 52.30890 34.87418       66.49573 
1 1 1 28  4  7  o 518.7460 17.93727 8053.300       544.8885 8049.097       714.8323 8059.128       841.8256 514.7353 23.74331 511.4614 28.17342 3.273895       36.84408 
1 1 1 28  4  8  o 60.81487 29.79440 -645.4917      359.0218 -687.5079      448.0127 -570.0831      600.1949 70.38692 34.21827 89.13696 42.34164 -18.75004      54.43991 
1 1 1 28  4  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  4  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  4  11 o 476.7956 18.91936 6836.168       527.9905 6209.190       669.1701 7870.312       859.4103 449.8525 25.46792 503.1287 29.25148 -53.27625      38.78484 
1 1 1 28  4  12 o 450.1625 29.98402 6331.826       787.0945 0.000000       0.000000 6331.826       787.0945 ?        ?        450.1625 29.98402 0.000000       29.98402 
1 1 1 28  4  13 o 498.6649 28.82485 7740.576       839.4050 0.000000       0.000000 7740.576       839.4050 ?        ?        498.6649 28.82485 0.000000       28.82485 
1 1 1 28  4  14 o 217.9779 31.80740 1520.184       394.6455 1520.184       394.6455 0.000000       0.000000 217.9779 31.80740 ?        ?        0.000000       31.80740 
1 1 1 28  4  15 f 324.6358 22.93716 3230.669       433.8917 3230.669       433.8917 0.000000       0.000000 324.6358 22.93716 ?        ?        0.000000       22.93716 
1 1 1 28  4  16 o 227.4483 25.42203 1614.484       333.3194 1209.724       421.8560 2287.070       543.8003 188.7471 39.38485 263.7552 36.10147 -75.00809      53.42736 
1 1 1 28  4  17 o 74.13872 34.87563 -312.7197      389.0581 -312.7197      389.0581 0.000000       0.000000 74.13872 34.87563 ?        ?        0.000000       34.87563 
1 1 1 28  4  18 o 138.0165 36.83461 655.4848       303.6989 785.5400       368.2840 379.0939       536.8845 149.0374 40.90178 118.6691 48.55115 30.36826       63.48362 
1 1 1 28  4  19 o 80.03214 33.75660 82.47098       271.0254 -216.7876      323.8521 781.9680       495.1267 69.36189 32.36627 143.4945 49.00770 -74.13258      58.73100 
1 1 1 28  4  20 o 62.13485 29.08667 -198.1907      265.0044 -122.0600      313.2184 -389.9680      497.1255 72.01687 32.96760 80.65690 38.37662 -8.640030      50.59277 
1 1 1 28  4  21 o 55.87673 27.27128 -452.7465      292.4602 -453.5848      394.7088 -451.7259      435.4950 68.11102 32.87259 72.38086 34.83133 -4.269836      47.89393 
1 1 1 28  4  22 o 73.33439 32.97832 -44.91247      296.8252 -80.18540      384.0663 7.404705       467.7433 80.47666 36.71310 91.26430 41.18800 -10.78764      55.17521 
1 1 1 28  4  23 o 89.85710 34.11143 243.4398       247.7336 59.45745       316.9789 532.1937       397.1058 81.06272 35.36949 119.0044 43.57326 -37.94170      56.12156 
1 1 1 28  4  24 o 75.58482 34.46083 -71.33253      337.7397 0.000000       0.000000 -71.33253      337.7397 ?        ?        75.58482 34.46083 0.000000       34.46083 
1 1 1 28  4  25 o 45.91057 22.76390 -479.4375      232.0141 -468.1834      309.7463 -493.8232      350.2003 56.77526 27.78575 60.79356 29.70797 -4.018303      40.67691 
1 1 1 28  4  26 o 104.7243 31.72428 392.6586       211.6042 512.7497       286.1281 247.6924       314.3683 116.1292 37.16505 91.84486 37.31101 24.28429       52.66262 
1 1 1 28  4  27 o 47.55399 22.90410 -234.4078      189.2787 -378.4072      283.5559 -118.6773      254.2040 55.75186 27.13057 62.60722 29.03085 -6.855366      39.73484 
1 1 1 28  4  28 o 74.24699 29.48237 145.7747       191.6042 267.2628       270.8657 24.10067       271.0728 90.40627 35.31072 72.22815 32.06192 18.17812       47.69501 
1 1 1 28  4  29 o 91.19200 31.07241 295.5516       199.0183 446.8333       286.0966 153.7053       277.0311 106.9448 37.22186 80.94442 34.13428 26.00040       50.50362 
1 1 1 28  4  30 o 58.49435 26.80280 -68.35624      207.6883 204.9379       300.1083 -319.5443      287.7148 85.50845 35.75900 57.49702 27.82666 28.01144       45.31036 
1 1 1 28  4  31 o 117.3934 31.25957 514.4186       219.0342 557.4990       311.0613 472.0511       308.4772 115.4159 38.84994 107.1898 38.52345 8.226120       54.71173 
1 1 1 28  4  32 o 130.4733 30.50927 627.3386       229.2609 498.7298       315.1165 771.9697       334.1695 109.0311 38.96533 134.9694 39.62550 -25.93831      55.57406 
1 1 1 28  4  33 o 56.52983 26.91745 -192.1011      245.5161 -451.2665      331.3029 123.6003       365.6580 57.59796 28.30004 82.45174 36.87700 -24.85378      46.48446 
1 1 1 28  4  34 o 74.78378 33.07591 81.95805       285.9234 334.1695       371.8857 -282.6748      447.1519 94.49889 39.68151 72.24126 34.89609 22.25763       52.84278 
1 1 1 28  4  35 f 74.50439 34.58412 -25.58634      362.2129 212.3097       464.7420 -393.7033      578.1111 89.84154 40.75021 77.01948 37.74875 12.82206       55.54771 
1 1 1 28  5  0  o 101.6799 37.36329 278.7027       292.3939 -182.7186      385.2495 905.6412       449.0615 80.89117 36.85107 163.8774 45.24048 -82.98626      58.34983 
1 1 1 28  5  1  o 59.30200 28.60728 -430.2586      298.0540 -421.9192      380.7742 -443.4518      478.9350 70.74586 33.63980 81.43667 38.42716 -10.69080      51.07135 
1 1 1 28  5  2  o 90.34148 36.39586 144.8317       296.3381 418.6138       390.3366 -227.6529      455.2929 119.7989 43.29808 86.79840 39.73919 33.00053       58.77012 
1 1 1 28  5  3  o 206.8599 28.17651 1330.944       332.9559 1081.190       428.2174 1712.786       529.4811 180.4804 41.34572 228.5742 41.00433 -48.09377      58.23078 
1 1 1 28  5  4  o 306.1129 20.34147 2823.866       363.1146 3129.408       473.0450 2385.585       566.5560 319.9567 25.41805 273.3785 36.22777 46.57825       44.25526 
1 1 1 28  5  5  o 113.7676 40.08722 385.2133       332.4857 402.4031       406.7071 350.5772       577.3129 118.9717 44.00476 125.1474 50.66330 -6.175682      67.10580 
1 1 1 28  5  6  o 216.2690 28.66127 1459.969       354.5892 1793.859       433.0341 780.4993       617.7402 238.5244 31.74286 153.1435 54.57555 85.38086       63.13556 
1 1 1 28  5  7  o 116.0218 40.84319 406.6395       345.0844 -86.73956      416.9167 1480.026       614.9460 88.53091 39.50150 205.0165 51.27945 -116.4856      64.72984 
1 1 1 28  5  8  o 406.1775 19.88011 4969.368       472.1325 4817.630       605.2007 5205.305       754.6596 396.0859 26.20035 407.4908 31.83024 -11.40488      41.22648 
1 1 1 28  5  9  o 417.1567 19.29299 5235.846       470.7296 5231.132       614.0584 5242.564       733.0642 413.1138 25.46866 409.5682 30.74301 3.545593       39.92224 
1 1 1 28  5  10 o 147.7923 43.56466 741.6241       403.2281 1099.934       517.2479 186.5291       643.8034 177.0990 48.42078 119.6208 51.29174 57.47819       70.53662 
1 1 1 28  5  11 o 325.4976 23.59908 3239.177       447.4390 3264.616       570.4482 3198.501       721.3257 322.4383 30.52973 311.7085 40.40772 10.72974       50.64433 
1 1 1 28  5  12 o 631.2930 19.59240 12009.07       724.5079 10744.67       928.0925 13981.76       1159.253 590.1418 26.88603 669.8851 29.58008 -79.74335      39.97299 
1 1 1 28  5  13 o 523.4969 26.43099 8456.078       808.8549 8456.078       808.8549 0.000000       0.000000 523.4969 26.43099 ?        ?        0.000000       26.43099 
1 1 1 28  5  14 o 185.5918 37.46706 1145.592       393.7421 1145.592       393.7421 0.000000       0.000000 185.5918 37.46706 ?        ?        0.000000       37.46706 
1 1 1 28  5  15 o 199.4936 36.81844 1321.022       414.9036 1321.022       414.9036 0.000000       0.000000 199.4936 36.81844 ?        ?        0.000000       36.81844 
1 1 1 28  5  16 o 267.0802 26.48770 2233.551       409.4330 2233.551       409.4330 0.000000       0.000000 267.0802 26.48770 ?        ?        0.000000       26.48770 
1 1 1 28  5  17 o 111.1839 42.22681 364.2284       379.7365 364.2284       379.7365 0.000000       0.000000 111.1839 42.22681 ?        ?        0.000000       42.22681 
1 1 1 28  5  18 o 169.5254 31.59802 949.5002       302.6010 1179.906       360.4326 399.2834       556.9856 187.8891 33.95892 120.2124 49.34735 67.67675       59.90300 
1 1 1 28  5  19 o 90.67513 35.41692 213.6127       272.5049 271.4803       322.0230 67.64790       511.4378 98.87251 38.53452 99.58828 44.13218 -0.7157669     58.58804 
1 1 1 28  5  20 o 62.16763 29.01134 -181.6699      260.2704 -149.0120      316.8759 -249.3862      456.2906 71.01183 32.74547 81.37926 38.11850 -10.36744      50.25222 
1 1 1 28  5  21 o 71.46548 31.76407 -21.93115      266.9183 38.57320       325.6602 -145.7677      465.9033 81.43219 35.68302 85.36181 39.48424 -3.929619      53.21920 
1 1 1 28  5  22 o 211.5230 23.30103 1426.895       284.2738 1057.835       376.3391 1917.269       433.8050 170.2861 38.58010 237.7121 31.92285 -67.42601      50.07487 
1 1 1 28  5  23 o 48.29415 23.89355 -498.9089      250.4980 -707.8763      316.5791 -148.9902      409.6629 51.78609 25.82668 79.28274 36.79445 -27.49665      44.95385 
1 1 1 28  5  24 o 87.46747 33.62417 226.5837       242.6818 131.6317       339.1811 326.1778       347.3732 86.84479 37.23349 100.8929 39.81255 -14.04808      54.51029 
1 1 1 28  5  25 o 67.44309 32.12436 -282.9570      350.2671 0.000000       0.000000 -282.9570      350.2671 ?        ?        67.44309 32.12436 0.000000       32.12436 
1 1 1 28  5  26 o 71.43552 29.80567 94.39336       207.7932 -110.7423      269.8672 393.1206       325.6618 65.12687 30.09838 103.7865 39.17574 -38.65963      49.40295 
1 1 1 28  5  27 o 65.81933 28.15977 50.60217       193.2612 23.42439       258.1607 85.25026       291.4894 71.17178 31.45603 78.29828 34.04374 -7.126495      46.35146 
1 1 1 28  5  28 o 49.13629 23.53630 -211.8538      193.7023 -21.63309      273.7466 -402.6033      274.1268 69.71358 31.48137 53.51396 26.17903 16.19962       40.94408 
1 1 1 28  5  29 o 74.65897 29.92584 148.3143       199.2678 425.3849       290.5373 -97.78806      273.8195 104.5597 37.40940 65.28285 30.22227 39.27686       48.09209 
1 1 1 28  5  30 o 144.7978 25.52822 716.8888       208.8678 388.6390       305.5976 1004.649       286.1298 100.3139 37.93079 167.4225 30.25381 -67.10867      48.51843 
1 1 1 28  5  31 o 69.80556 29.43405 96.15271       205.9571 90.10614       306.3868 101.1374       278.1858 77.74976 34.32005 76.33128 33.22232 1.418472       47.76598 
1 1 1 28  5  32 o 87.71223 32.17187 275.8832       216.6277 588.2886       310.4809 -20.46121      302.3946 117.8963 38.79049 71.04739 32.47435 46.84890       50.58938 
1 1 1 28  5  33 f 66.58597 29.97089 3.912104       245.7878 206.5798       340.6778 -216.0976      354.9543 85.74572 37.04406 67.11859 32.07154 18.62713       48.99843 
1 1 1 28  5  34 o 88.98029 35.21368 286.1303       272.4748 465.4445       384.7772 105.7677       385.9004 103.3318 41.52742 82.39285 37.27616 20.93900       55.80358 
1 1 1 28  6  0  o 392.4040 16.82348 4595.149       386.2690 4614.052       508.0120 4569.244       594.7094 390.6822 22.26391 386.4454 26.39867 4.236786       34.53363 
1 1 1 28  6  1  o 229.4856 24.06175 1610.262       319.0322 1600.157       396.0553 1628.936       538.3942 225.9559 30.67867 221.5970 42.97847 4.358856       52.80463 
1 1 1 28  6  2  o 299.0612 19.93351 2692.917       347.6225 2561.081       439.5611 2913.047       567.9893 288.8839 26.23016 304.9003 32.25208 -16.01636      41.57184 
1 1 1 28  6  3  o 215.6327 27.12768 1440.301       335.4913 1767.047       423.3867 888.9424       549.9832 237.2512 31.18247 160.9777 51.52718 76.27350       60.22787 
1 1 1 28  6  4  o 143.1667 39.30807 677.6412       340.0572 818.4196       409.4431 364.6033       610.5539 155.9785 43.25219 127.7362 51.95799 28.24234       67.60461 
1 1 1 28  6  5  o 149.5224 54.22732 728.4194       612.9435 0.000000       0.000000 728.4194       612.9435 ?        ?        149.5224 54.22732 0.000000       54.22732 
1 1 1 28  6  6  o 76.97816 35.14476 -174.7498      352.8482 -477.4056      436.0709 399.1694       600.4931 75.17834 35.81860 128.6096 51.81093 -53.43127      62.98686 
1 1 1 28  6  7  o 269.8878 23.71963 2226.634       371.6258 2455.513       464.5314 1819.734       619.3782 281.0104 28.58398 230.3522 47.42810 50.65822       55.37571 
1 1 1 28  6  8  o 112.9118 41.27389 368.3221       356.0766 566.6067       430.8239 -59.10353      632.5364 132.5679 45.70018 108.7318 48.57558 23.83605       66.69402 
1 1 1 28  6  9  o 178.7827 56.02649 1165.151       653.2689 0.000000       0.000000 1165.151       653.2689 ?        ?        178.7827 56.02649 0.000000       56.02649 
1 1 1 28  6  10 o 148.1258 41.13853 740.8500       370.0876 446.6722       451.5251 1343.031       646.0120 123.4235 46.22679 191.7254 54.74475 -68.30189      71.65127 
1 1 1 28  6  11 o 436.9693 18.96370 5748.000       484.8298 5505.199       636.7360 6082.988       747.9086 423.0111 25.78848 442.0146 29.01141 -19.00348      38.81633 
1 1 1 28  6  12 o 490.2169 18.80159 7232.835       539.5449 6390.280       679.8106 8666.908       886.8997 455.8108 25.53244 527.7802 28.76175 -71.96945      38.45963 
1 1 1 28  6  13 o 444.5015 17.64614 5934.225       459.1023 5934.225       459.1023 0.000000       0.000000 444.5015 17.64614 ?        ?        0.000000       17.64614 
1 1 1 28  6  14 o 225.3032 43.90132 1745.049       559.2315 1745.049       559.2315 0.000000       0.000000 225.3032 43.90132 ?        ?        0.000000       43.90132 
1 1 1 28  6  15 o 235.2436 30.35255 1766.235       409.0087 1766.235       409.0087 0.000000       0.000000 235.2436 30.35255 ?        ?        0.000000       30.35255 
1 1 1 28  6  16 o 84.63794 37.86898 -64.96539      385.9819 -64.96539      385.9819 0.000000       0.000000 84.63794 37.86898 ?        ?        0.000000       37.86898 
1 1 1 28  6  17 o 78.53841 34.22033 9.934027       295.8334 59.77268       369.7603 -78.70985      493.1301 89.25774 38.57716 93.46816 42.22667 -4.210419      57.19518 
1 1 1 28  6  18 o 47.88763 23.89000 -656.5684      271.7988 -678.5803      328.8789 -609.1415      482.7479 54.98070 27.23315 73.99831 35.86787 -19.01760      45.03497 
1 1 1 28  6  19 o 139.5479 32.88869 663.6697       264.7307 620.6545       322.0686 753.2679       464.8220 131.9536 38.94445 140.7315 47.49119 -8.777908      61.41729 
1 1 1 28  6  20 o 171.0146 28.21056 961.7696       273.0837 716.8699       334.5860 1450.445       472.6331 140.4269 39.15873 199.1119 41.80737 -58.68494      57.28231 
1 1 1 28  6  21 o 87.70615 34.79265 199.9881       266.5941 447.3203       331.0709 -256.1750      449.6151 112.5928 39.97129 79.73077 37.50167 32.86202       54.80948 
1 1 1 28  6  22 o 59.66515 27.97988 -183.0632      247.0554 -221.5605      309.4817 -115.4303      410.2029 66.08471 31.09261 81.02539 37.32473 -14.94068      48.57866 
1 1 1 28  6  23 o 95.27486 34.37094 299.5899       245.8314 398.4030       299.7691 96.67110       429.5766 106.3469 38.00477 91.71921 40.55535 14.62769       55.57967 
1 1 1 28  6  24 o 54.76992 26.34380 -291.4438      248.4151 -336.4488      343.9818 -242.3873      359.1318 65.17802 31.25850 70.20929 33.17355 -5.031273      45.58046 
1 1 1 28  6  25 o 135.6603 31.47376 651.3008       245.5563 498.7719       344.1419 809.5023       350.4829 113.9785 40.72183 144.0939 40.03985 -30.11540      57.10917 
1 1 1 28  6  26 o 55.14494 25.92248 -159.4582      214.2774 -153.0199      296.5805 -166.4890      309.9281 66.13497 30.89771 67.03051 31.40330 -0.8955383     44.05492 
1 1 1 28  6  27 o 87.76202 30.60094 262.4575       193.4158 404.0918       265.2102 101.5399       282.6882 104.0921 35.85725 78.54053 33.83651 25.55157       49.30164 
1 1 1 28  6  28 o 84.83101 30.58474 241.3216       194.6188 370.5181       272.2825 106.3703       278.2805 99.91930 36.15579 78.03371 33.59447 21.88560       49.35412 
1 1 1 28  6  29 o 47.82089 23.13856 -255.2214      198.6554 -555.3277      286.9878 20.86084       275.2612 50.55468 25.10960 71.79494 32.06118 -21.24025      40.72360 
1 1 1 28  6  30 o 79.85718 31.28317 196.4049       213.1221 423.8135       317.6123 10.14854       287.4414 103.1110 38.73878 71.90108 32.38304 31.20997       50.49113 
1 1 1 28  6  31 o 114.6331 31.82171 495.9283       221.4962 397.8636       326.8466 579.2113       301.2076 100.2012 38.88664 118.0719 38.16437 -17.87077      54.48569 
1 1 1 28  6  32 o 76.54681 31.62690 156.1379       230.7477 -61.09621      327.5061 370.2705       325.1597 71.17696 32.98628 97.32660 38.48316 -26.14964      50.68578 
1 1 1 28  6  33 o 127.6621 33.73455 638.4268       256.3301 711.8392       365.1796 567.1259       359.8894 124.4928 42.09409 112.0134 41.40115 12.47942       59.04208 
1 1 1 28  6  34 o 83.95321 34.47805 226.7400       272.0485 184.7123       373.4921 274.2385       397.0579 85.64648 37.84530 91.36501 39.72902 -5.718529      54.86950 
1 1 1 28  7  0  o 153.2672 34.18544 760.5708       299.4604 1164.073       373.1590 30.61654       501.9021 190.2933 34.71516 102.7575 44.67531 87.53582       56.57761 
1 1 1 28  7  1  o 307.3775 18.77219 2837.268       336.7917 2827.436       439.7144 2851.223       523.8467 304.1788 24.86534 302.7978 29.88791 1.381012       38.87894 
1 1 1 28  7  2  o 170.2530 39.08538 957.5670       382.0019 957.5670       382.0019 0.000000       0.000000 170.2530 39.08538 ?        ?        0.000000       39.08538 
1 1 1 28  7  3  o 98.72803 38.34742 226.8956       318.0520 399.2538       388.0317 -125.9622      555.2022 117.5941 43.07002 100.2553 45.09218 17.33880       62.35648 
1 1 1 28  7  4  o 246.2788 25.56121 1866.597       363.8345 1798.241       443.3299 2007.616       636.7648 238.2861 32.57520 243.4992 46.28065 -5.213135      56.59542 
1 1 1 28  7  5  o 124.7226 41.03564 498.6653       347.4623 346.9965       413.7695 861.4377       639.9228 114.6905 43.95173 158.4301 55.63110 -43.73961      70.89833 
1 1 1 28  7  6  f 71.12827 33.17573 -266.0601      339.6423 -172.6974      406.3108 -482.6237      618.8199 83.25977 37.89708 93.22934 43.89582 -9.969574      57.99165 
1 1 1 28  7  7  o 274.7449 23.65373 2308.098       377.4290 2294.033       455.3442 2338.976       674.6844 271.1159 29.09193 263.1784 45.34865 7.937531       53.87802 
1 1 1 28  7  8  o 232.9159 27.69500 1690.434       370.9136 1712.720       450.2528 1643.373       654.2889 231.0138 34.27026 214.5037 52.45352 16.51009       62.65638 
1 1 1 28  7  9  o 263.1966 41.77211 2304.371       623.2742 0.000000       0.000000 2304.371       623.2742 ?        ?        263.1966 41.77211 0.000000       41.77211 
1 1 1 28  7  10 o 129.8396 40.53960 557.9996       342.3546 336.0328       415.4603 1027.597       604.2943 113.2714 43.87435 168.7357 54.01157 -55.46429      69.58598 
1 1 1 28  7  11 o 489.6724 18.49402 7209.570       530.1591 7130.918       697.8333 7316.934       815.3179 482.3087 24.75319 484.8900 28.80011 -2.581329      37.97587 
1 1 1 28  7  12 o 329.9617 28.06174 3393.606       537.8891 3393.606       537.8891 0.000000       0.000000 329.9617 28.06174 ?        ?        0.000000       28.06174 
1 1 1 28  7  13 o 109.7232 46.81769 161.9703       531.6341 161.9703       531.6341 0.000000       0.000000 109.7232 46.81769 ?        ?        0.000000       46.81769 
1 1 1 28  7  14 o 322.8030 21.31082 3178.004       401.1916 3178.004       401.1916 0.000000       0.000000 322.8030 21.31082 ?        ?        0.000000       21.31082 
1 1 1 28  7  15 o 110.5052 42.73942 337.1552       393.8085 337.1552       393.8085 0.000000       0.000000 110.5052 42.73942 ?        ?        0.000000       42.73942 
1 1 1 28  7  16 o 68.97026 33.26706 -511.6854      402.7551 -511.6854      402.7551 0.000000       0.000000 68.97026 33.26706 ?        ?        0.000000       33.26706 
1 1 1 28  7  17 o 48.15891 24.13001 -765.4471      291.2476 -704.1440      369.8665 -865.4941      472.5040 59.55597 29.38519 67.16034 33.15145 -7.604366      44.30021 
1 1 1 28  7  18 o 124.8871 36.06317 540.0281       278.8381 581.7654       339.1789 453.0087       489.7509 128.0860 40.40233 119.6913 47.25949 8.394676       62.17563 
1 1 1 28  7  19 o 144.3628 32.38067 709.3568       267.3821 678.2984       327.7560 771.1550       462.3272 137.3753 38.91738 141.5308 47.36041 -4.155487      61.29903 
1 1 1 28  7  20 o 54.50331 26.24742 -314.1536      248.3586 -50.18830      304.6878 -836.8020      428.7326 74.31367 33.41602 62.09283 30.81471 12.22084       45.45521 
1 1 1 28  7  21 o 59.13333 27.98778 -230.1898      257.6755 -429.6612      326.5844 98.77220       419.3995 60.75247 29.46018 92.14523 40.43242 -31.39277      50.02681 
1 1 1 28  7  22 o 183.9674 24.33518 1093.495       256.1252 973.0297       306.1254 1374.599       467.6283 167.7686 32.28448 189.5173 43.05563 -21.74872      53.81519 
1 1 1 28  7  23 o 52.90575 25.47489 -287.6563      233.7813 -483.2313      282.2401 139.7999       417.2610 53.07518 26.08636 92.94596 40.56697 -39.87078      48.23046 
1 1 1 28  7  24 o 41.21347 20.70049 -595.3358      220.8501 -563.9773      278.7661 -648.1942      361.9262 50.18013 24.89328 58.14276 28.75784 -7.962627      38.03536 
1 1 1 28  7  25 o 72.77772 31.06793 74.63997       234.3032 275.3909       323.0704 -148.1089      340.3111 94.57128 38.03631 71.36321 33.25967 23.20807       50.52689 
1 1 1 28  7  26 o 136.6974 27.73293 642.8972       214.7236 565.7341       297.5078 726.7960       310.2209 120.6679 37.80832 137.2860 37.48393 -16.61807      53.24015 
1 1 1 28  7  27 o 127.9471 28.25196 571.1493       206.3233 592.4758       293.4633 550.3037       290.1357 123.1699 37.37000 118.7628 37.35471 4.407143       52.83835 
1 1 1 28  7  28 o 86.04832 34.68290 222.0945       269.2411 0.000000       0.000000 222.0945       269.2411 ?        ?        86.04832 34.68290 0.000000       34.68290 
1 1 1 28  7  29 o 100.6012 32.70413 377.9752       221.0000 483.6996       323.8799 285.8606       302.3157 108.9445 39.43143 91.87239 36.84835 17.07214       53.96887 
1 1 1 28  7  30 o 70.56325 30.20894 84.55677       222.6743 -62.21059      315.4035 230.4074       314.4170 70.61379 32.60027 87.50281 36.59789 -16.88902      49.01207 
1 1 1 28  7  31 o 73.43912 30.94959 118.4565       227.5167 374.6782       327.3903 -120.8594      316.4052 98.18610 38.67945 67.80749 31.75521 30.37862       50.04491 
1 1 1 28  7  32 o 76.34279 31.74978 152.0365       234.6742 89.22095       356.3681 200.1327       311.8318 80.36234 36.13719 84.32311 35.91403 -3.960770      50.94815 
1 1 1 28  7  33 f 114.8257 34.95602 531.8663       256.4807 937.9789       407.7984 266.0905       329.8982 140.8062 44.28585 89.02372 37.37786 51.78243       57.95119 
1 1 1 28  7  34 o 61.29448 28.71212 -117.2856      258.9359 -102.2977      380.8555 -130.1685      353.0992 73.05006 34.40765 69.81892 32.96028 3.231148       47.64731 
1 1 1 28  8  0  o 334.0795 17.31357 3340.716       338.0669 3041.647       426.6118 3845.533       554.2610 316.1944 23.16609 353.5470 26.93380 -37.35257      35.52601 
1 1 1 28  8  1  o 285.6245 20.07881 2462.224       334.2013 2626.234       419.3008 2176.548       553.3859 292.9724 24.63116 259.6130 37.42504 33.35944       44.80321 
1 1 1 28  8  2  o 163.3383 33.46653 861.5475       309.8028 956.6398       382.9249 681.3682       527.1002 169.8074 39.23872 144.1374 50.49878 25.67006       63.95157 
1 1 1 28  8  3  o 263.3158 22.90542 2113.689       350.2088 2211.875       427.9351 1914.586       609.3837 267.1038 27.72052 238.0554 45.30238 29.04840       53.11057 
1 1 1 28  8  4  o 197.5213 29.94522 1230.897       336.0262 1359.794       414.9051 985.1820       572.8507 204.8829 35.83390 167.1491 52.47682 37.73383       63.54436 
1 1 1 28  8  5  f 81.81353 36.03672 -40.14343      336.1064 363.8545       403.2945 -958.8150      608.1530 115.1563 43.56707 80.17218 39.17155 34.98416       58.58754 
1 1 1 28  8  6  o 138.7954 54.21421 558.6531       638.5450 0.000000       0.000000 558.6531       638.5450 ?        ?        138.7954 54.21421 0.000000       54.21421 
1 1 1 28  8  7  o 91.51921 38.07177 113.6873       337.5666 92.35886       408.8596 159.3588       598.2971 96.97139 41.20591 115.4013 49.46341 -18.42986      64.37822 
1 1 1 28  8  8  o 251.8334 25.59989 1958.904       372.8463 2201.094       458.4230 1485.624       640.8374 264.6414 30.06893 202.7583 53.22615 61.88304       61.13234 
1 1 1 28  8  9  o 118.3776 41.33530 436.4092       352.9820 287.3748       425.6537 764.5742       631.6248 110.4693 43.91782 150.4012 54.97203 -39.93195      70.36121 
1 1 1 28  8  10 o 246.1566 25.35095 1873.522       360.7518 1758.266       434.6031 2128.886       646.9067 234.6457 32.44885 249.1565 45.96392 -14.51079      56.26375 
1 1 1 28  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  8  12 o 587.8551 25.01063 10619.99       860.3041 10619.99       860.3041 0.000000       0.000000 587.8551 25.01063 ?        ?        0.000000       25.01063 
1 1 1 28  8  13 o 160.5066 39.94798 878.5565       374.5485 878.5565       374.5485 0.000000       0.000000 160.5066 39.94798 ?        ?        0.000000       39.94798 
1 1 1 28  8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  8  15 o 86.97977 38.48334 -21.30337      387.3779 -21.30337      387.3779 0.000000       0.000000 86.97977 38.48334 ?        ?        0.000000       38.48334 
1 1 1 28  8  16 f 62.32835 30.45241 -591.9919      367.4809 -591.9919      367.4809 0.000000       0.000000 62.32835 30.45241 ?        ?        0.000000       30.45241 
1 1 1 28  8  17 o 168.4549 30.77441 935.0330       292.8354 884.9085       380.5606 1007.794       458.5111 157.5724 40.84666 164.8202 45.79576 -7.247803      61.36531 
1 1 1 28  8  18 f 202.3766 24.49638 1298.376       284.8347 897.5291       354.7067 2026.142       477.9433 159.2631 38.42159 245.5100 34.11416 -86.24695      51.38088 
1 1 1 28  8  19 o 82.44296 33.46376 145.6605       252.6349 246.9396       317.3756 -29.50393      417.3847 95.64656 37.95575 86.71812 39.04224 8.928436       54.45123 
1 1 1 28  8  20 o 66.53669 30.35318 -96.09003      262.5104 -104.4006      336.8203 -83.23088      418.9750 74.87650 34.24291 83.79672 38.27261 -8.920219      51.35532 
1 1 1 28  8  21 o 83.24333 33.66923 162.9323       254.7135 234.6455       317.0663 32.43011       427.7199 93.44421 37.64676 89.16512 39.88144 4.279091       54.84349 
1 1 1 28  8  22 o 139.3389 30.64121 669.0048       243.5695 492.6691       290.5169 1086.224       446.8719 116.1006 37.47702 165.2014 44.94016 -49.10083      58.51619 
1 1 1 28  8  23 o 61.48587 28.17689 -94.99380      229.6207 -68.33952      284.8420 -144.4622      388.0472 69.95838 31.79893 77.05122 35.77658 -7.092834      47.86580 
1 1 1 28  8  24 o 103.5953 32.57503 381.1990       220.6526 443.9420       283.6459 285.0375       351.1516 109.7010 37.09846 97.09211 39.43686 12.60892       54.14389 
1 1 1 28  8  25 o 77.54797 31.13436 153.3098       216.0540 117.6532       278.9136 206.8053       341.6316 79.83097 33.98198 90.23540 37.97073 -10.40443      50.95637 
1 1 1 28  8  26 o 90.14393 31.93947 278.7343       211.2983 290.2684       271.4060 260.9858       336.6743 92.95311 35.60272 93.13200 38.31288 -0.1788864     52.30135 
1 1 1 28  8  27 o 69.33784 29.26848 80.97211       204.0029 35.57510       287.4683 127.0291       289.5505 74.43655 33.03113 80.46389 34.44770 -6.027336      47.72525 
1 1 1 28  8  28 o 62.60181 28.15502 -24.92641      216.4165 368.6625       313.3378 -383.9558      299.2653 99.42374 38.21022 56.98235 27.76130 42.44138       47.23040 
1 1 1 28  8  29 o 76.40815 34.17481 47.11457       314.0542 0.000000       0.000000 47.11457       314.0542 ?        ?        76.40815 34.17481 0.000000       34.17481 
1 1 1 28  8  30 o 90.91044 32.65209 301.4576       221.5733 620.2644       321.7133 13.76718       305.6103 120.9679 39.46782 73.39967 33.19336 47.56824       51.57042 
1 1 1 28  8  31 f 90.12968 32.92891 296.5679       226.6014 47.22956       324.2078 534.7094       316.8447 76.40141 34.40242 112.3125 39.16593 -35.91111      52.12961 
1 1 1 28  8  32 o 53.00917 25.55092 -249.3698      236.6156 205.0162       348.1599 -639.3792      322.5550 86.08538 37.31934 52.03779 25.97054 34.04759       45.46650 
1 1 1 28  8  33 o 75.83011 32.61134 125.9146       261.7035 -5.983000      406.4294 219.3361       342.0504 78.66054 36.55467 86.32294 37.20493 -7.662407      52.15794 
1 1 1 28  8  34 o 67.89372 30.97318 -13.69150      273.3709 3.819824       397.2404 -29.44540      376.7802 78.08879 36.23758 75.40932 35.09535 2.679466       50.44646 
1 1 1 28  9  0  o 209.3151 24.43131 1349.105       294.2814 1077.264       359.4043 1902.122       512.6193 182.2998 34.88649 242.1717 37.28749 -59.87193      51.06294 
1 1 1 28  9  1  o 290.8596 19.10070 2548.450       324.0211 2529.601       409.7817 2579.896       529.2880 287.3218 24.55341 285.9435 32.11631 1.378326       40.42681 
1 1 1 28  9  2  o 79.48279 34.56244 -7.370503      300.5066 -87.72194      354.4208 198.1263       566.7936 81.36799 36.35520 115.4424 48.76076 -34.07439      60.82197 
1 1 1 28  9  3  o 382.3385 18.14075 4386.835       405.6143 4692.300       520.5141 3914.558       647.2178 392.9593 22.68213 353.0352 31.59309 39.92407       38.89219 
1 1 1 28  9  4  o 137.3576 52.40646 567.1172       586.5671 0.000000       0.000000 567.1172       586.5671 ?        ?        137.3576 52.40646 0.000000       52.40646 
1 1 1 28  9  5  o 216.7277 28.24430 1469.743       350.4684 1762.916       420.3526 801.2604       634.7405 236.1505 31.10681 153.4955 55.24820 82.65498       63.40345 
1 1 1 28  9  6  o 124.5574 41.47243 500.2195       354.5912 597.6446       426.0534 280.6372       639.6279 134.7462 45.46757 123.6898 51.99646 11.05639       69.07193 
1 1 1 28  9  7  o 73.37532 33.76838 -196.2999      334.6290 -285.3438      395.6825 27.32119       627.0483 77.02153 35.88568 111.2929 49.11348 -34.27136      60.82694 
1 1 1 28  9  8  o 128.9136 41.04069 548.6711       349.2748 335.0313       416.6637 1053.605       640.5629 113.2156 43.91447 170.0512 55.70459 -56.83567      70.93295 
1 1 1 28  9  9  o 136.1094 40.38824 621.6539       345.6314 597.8322       415.5583 675.1181       622.5537 134.1337 44.90132 144.1765 54.22111 -10.04279      70.39927 
1 1 1 28  9  10 o 186.4942 31.78031 1117.380       335.1440 1136.005       401.6576 1074.694       608.0747 184.6389 38.34730 171.4545 54.09858 13.18434       66.31117 
1 1 1 28  9  11 o 228.4322 35.30521 1698.153       457.7490 1698.153       457.7490 0.000000       0.000000 228.4322 35.30521 ?        ?        0.000000       35.30521 
1 1 1 28  9  12 f 237.4684 24.65563 1746.728       338.3861 1746.728       338.3861 0.000000       0.000000 237.4684 24.65563 ?        ?        0.000000       24.65563 
1 1 1 28  9  13 f 247.0577 36.19541 2007.393       508.8962 2007.393       508.8962 0.000000       0.000000 247.0577 36.19541 ?        ?        0.000000       36.19541 
1 1 1 28  9  14 o 71.30939 33.62313 -317.8122      365.4158 -317.8122      365.4158 0.000000       0.000000 71.30939 33.62313 ?        ?        0.000000       33.62313 
1 1 1 28  9  15 o 101.5492 41.36659 226.7299       387.6811 226.7299       387.6811 0.000000       0.000000 101.5492 41.36659 ?        ?        0.000000       41.36659 
1 1 1 28  9  16 o 119.3534 42.43231 476.8570       373.2150 476.8570       373.2150 0.000000       0.000000 119.3534 42.43231 ?        ?        0.000000       42.43231 
1 1 1 28  9  17 o 72.52255 32.37481 -46.62897      280.4153 6.779878       353.1790 -137.7232      461.2471 83.61045 36.87988 86.96632 39.88400 -3.355865      54.32181 
1 1 1 28  9  18 o 75.44958 33.03595 11.00678       278.6566 8.657486       349.3961 15.11277       461.9111 82.75724 36.58474 92.80450 41.48162 -10.04726      55.30975 
1 1 1 28  9  19 o 165.1534 29.46829 909.1843       274.9542 751.1241       348.3197 1170.504       447.8710 142.8140 40.00185 176.0197 43.61073 -33.20563      59.17807 
1 1 1 28  9  20 o 60.79026 28.72610 -229.5844      269.4220 122.8060       349.2152 -747.7740      423.4727 88.25732 37.80846 63.19574 31.22960 25.06157       49.03843 
1 1 1 28  9  21 o 98.72309 35.01328 327.5074       253.9787 26.48308       318.4477 853.6768       421.0175 79.28952 34.99484 146.4158 44.82807 -67.12625      56.86998 
1 1 1 28  9  22 o 69.99014 30.51686 23.85105       235.6132 -22.44803      287.1943 119.1611       412.0587 72.93484 32.64668 91.53907 40.12429 -18.60423      51.72779 
1 1 1 28  9  23 o 151.8187 27.12930 772.5097       232.6882 786.5165       294.7289 749.3328       379.1245 147.5716 34.64994 137.1577 42.63567 10.41383       54.94014 
1 1 1 28  9  24 o 49.44783 23.95592 -292.2696      214.6499 -246.5220      275.6863 -362.6977      342.0615 59.94311 28.53729 63.62130 30.67983 -3.678188      41.90023 
1 1 1 28  9  25 o 100.7600 33.64360 367.4836       233.3232 264.1816       306.9128 508.9407       359.1476 92.33360 37.09498 113.3316 41.44767 -20.99800      55.62326 
1 1 1 28  9  26 f 52.34332 24.71134 -164.0949      198.5119 -109.5616      255.5535 -247.0654      315.2195 63.11230 29.21022 64.06905 30.50529 -0.9567451     42.23518 
1 1 1 28  9  27 o 60.51103 26.84539 -6.898145      189.7706 92.45401       245.8413 -153.3853      298.5149 74.22466 31.75817 65.70764 30.79514 8.517021       44.23711 
1 1 1 28  9  28 o 50.86284 24.45329 -237.0038      213.4720 -449.8981      304.0660 -30.08299      299.7698 55.45509 27.21985 71.29343 32.48951 -15.83834      42.38501 
1 1 1 28  9  29 o 92.59814 32.61144 313.1888       220.0191 455.8306       305.8899 160.2874       316.6995 106.2395 38.33846 83.15531 35.81933 23.08418       52.46772 
1 1 1 28  9  30 o 48.00956 23.57855 -366.1919      229.1746 -367.7497      343.9952 -364.9488      307.3035 61.71481 29.99815 57.90303 28.19234 3.811775       41.16670 
1 1 1 28  9  31 o 137.0807 30.04540 688.0877       234.8682 492.4526       348.6035 850.7100       317.8326 107.0993 40.50845 144.9255 37.20644 -37.82619      55.00230 
1 1 1 28  9  32 o 136.7137 32.98732 719.9786       261.4298 941.4680       405.8695 562.9221       341.7732 141.4046 44.13866 112.3992 40.52962 29.00539       59.92388 
1 1 1 28  9  33 o 111.7906 36.78330 522.0104       279.1798 781.7875       421.0240 318.1499       372.9692 125.6150 45.02261 93.32590 39.49329 32.28909       59.88952 
1 1 1 28  9  34 o 75.09274 32.59018 117.8827       266.1177 123.5168       376.5271 112.2593       376.1677 81.97182 36.97794 81.40974 36.81998 0.5620804      52.18313 
1 1 1 28  10 0  o 59.66203 27.84205 -201.2539      239.7126 -88.63538      326.2028 -333.4665      353.4429 77.81317 34.81447 70.06888 33.04723 7.744293       48.00174 
1 1 1 28  10 1  o 80.29911 34.31262 32.65268       286.3061 95.56889       334.4976 -139.7323      553.6833 89.97750 37.69866 98.92722 44.71369 -8.949715      58.48507 
1 1 1 28  10 2  o 64.88638 30.43067 -258.8304      292.3249 -321.3957      347.7736 -108.1949      539.6265 69.80135 32.87804 98.95766 44.48632 -29.15632      55.31725 
1 1 1 28  10 3  o 217.1535 26.40777 1464.909       329.4111 1858.350       394.6528 561.1458       598.1393 244.0601 28.08327 137.1127 52.76738 106.9474       59.77513 
1 1 1 28  10 4  o 181.7380 31.25447 1055.314       321.1177 1034.430       379.3943 1108.064       602.9764 176.7985 37.73912 175.1740 53.65035 1.624527       65.59422 
1 1 1 28  10 5  o 87.67092 36.97276 77.95974       325.0474 301.2509       384.0503 -485.9187      610.3025 108.7924 42.17125 91.92522 43.37695 16.86714       60.49772 
1 1 1 28  10 6  o 305.0034 20.60460 2819.411       366.4065 2966.558       440.6908 2489.910       659.4556 310.9216 24.36195 272.7468 42.62012 38.17480       49.09155 
1 1 1 28  10 7  o 207.1894 29.87529 1359.036       352.5442 1228.609       414.6761 1699.101       669.5838 192.5818 38.06485 216.6338 53.11683 -24.05200      65.34776 
1 1 1 28  10 8  o 113.0246 39.39771 394.4195       320.5874 335.9371       379.8360 539.2563       597.7548 110.9225 42.20763 134.9492 52.52773 -24.02665      67.38432 
1 1 1 28  10 9  o 196.0411 30.47956 1224.784       339.0527 1311.127       403.8324 1018.529       624.1489 200.1612 35.71107 166.9585 55.00179 33.20277       65.57802 
1 1 1 28  10 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  10 11 o 122.8458 45.29486 466.3860       430.3167 466.3860       430.3167 0.000000       0.000000 122.8458 45.29486 ?        ?        0.000000       45.29486 
1 1 1 28  10 12 o 232.4813 27.09263 1697.013       362.4793 1697.013       362.4793 0.000000       0.000000 232.4813 27.09263 ?        ?        0.000000       27.09263 
1 1 1 28  10 13 o 374.3303 19.40399 4250.877       424.5332 4250.877       424.5332 0.000000       0.000000 374.3303 19.40399 ?        ?        0.000000       19.40399 
1 1 1 28  10 14 o 113.3563 43.12251 380.8575       396.4169 380.8575       396.4169 0.000000       0.000000 113.3563 43.12251 ?        ?        0.000000       43.12251 
1 1 1 28  10 15 o 180.5249 37.85677 1117.535       387.9799 1117.535       387.9799 0.000000       0.000000 180.5249 37.85677 ?        ?        0.000000       37.85677 
1 1 1 28  10 16 o 69.30009 33.08202 -381.8940      375.7509 -381.8940      375.7509 0.000000       0.000000 69.30009 33.08202 ?        ?        0.000000       33.08202 
1 1 1 28  10 17 f 86.17222 34.61453 169.2662       267.1982 201.8130       335.1531 112.4981       442.6308 94.04633 38.40480 96.46212 41.94625 -2.415787      56.87193 
1 1 1 28  10 18 o 103.9622 35.48648 363.5765       259.5983 575.9041       317.8643 -61.69902      449.8564 126.2761 39.00390 87.90426 39.95839 38.37187       55.83885 
1 1 1 28  10 19 o 157.7493 30.67576 842.5680       273.5786 1069.684       354.7080 509.0836       429.8183 174.1436 35.92347 118.8452 44.97369 55.29846       57.55979 
1 1 1 28  10 20 o 157.6020 29.95550 840.9843       266.7598 847.4214       346.0465 831.5566       418.7869 151.5031 38.78483 145.0058 44.76628 6.497330       59.23076 
1 1 1 28  10 21 o 118.7410 33.78871 502.8564       246.5102 657.3697       310.0443 237.3213       406.4449 133.0753 37.90218 98.07362 41.35087 35.00169       56.09340 
1 1 1 28  10 22 o 56.10743 26.56507 -207.3398      232.5365 -356.6978      287.4785 75.33700       395.4906 57.73653 27.91172 87.79511 38.86218 -30.05858      47.84698 
1 1 1 28  10 23 o 77.25638 31.68902 131.3083       229.4563 172.2151       292.8420 66.25288       369.2989 85.58746 35.51987 84.67490 37.51353 0.9125595      51.66165 
1 1 1 28  10 24 o 132.4720 29.56929 613.4236       223.9025 674.3479       297.8011 534.2014       339.5900 133.2026 36.86826 116.5231 40.55282 16.67941       54.80693 
1 1 1 28  10 25 o 89.77704 32.66822 273.0348       222.7040 73.89236       287.4654 571.9788       352.2075 77.22366 33.68875 118.7150 41.30031 -41.49132      53.29772 
1 1 1 28  10 26 o 110.3829 29.74437 435.8528       196.8693 728.8499       255.0513 3.967593       309.6564 142.2897 31.40567 74.73067 33.63829 67.55907       46.02011 
1 1 1 28  10 27 o 64.38802 27.99223 33.04698       197.0215 -72.73213      263.7109 166.6822       296.4071 65.55997 30.10032 83.25725 35.21863 -17.69728      46.32906 
1 1 1 28  10 28 o 124.1736 28.43089 548.4869       202.5742 576.4498       260.2551 505.5038       322.6687 122.0571 34.71315 110.8341 39.44912 11.22305       52.54746 
1 1 1 28  10 29 o 124.6451 31.85232 582.0698       233.6838 346.9328       337.2556 799.2134       324.0948 96.54465 38.85106 139.6567 38.38636 -43.11208      54.61610 
1 1 1 28  10 30 o 84.46273 32.88256 239.0520       234.2836 448.0870       340.0102 50.08578       323.2769 103.9594 39.84143 76.51941 34.41302 27.43996       52.64595 
1 1 1 28  10 31 o 79.46610 32.79757 180.5143       247.7846 289.7739       377.2384 97.60616       328.6131 92.37742 39.42768 78.99599 35.16968 13.38143       52.83416 
1 1 1 28  10 32 o 83.83256 34.68428 221.3967       278.0316 431.5229       428.9690 69.18362       365.1000 100.9296 42.51403 79.41667 36.05996 21.51295       55.74731 
1 1 1 28  10 33 o 130.5115 36.34169 700.1079       288.4012 974.7445       439.7000 492.7478       382.0674 139.5755 46.17271 104.8920 41.63831 34.68347       62.17450 
1 1 1 28  11 0  o 104.0436 33.24914 340.2612       229.0717 523.2280       292.3432 49.24058       368.6962 126.0962 37.07419 90.35811 38.78117 35.73813       53.65142 
1 1 1 28  11 1  o 127.0885 49.94400 439.5446       544.6908 0.000000       0.000000 439.5446       544.6908 ?        ?        127.0885 49.94400 0.000000       49.94400 
1 1 1 28  11 2  o 132.9217 36.36378 584.2392       291.6249 623.1483       335.5697 464.1815       589.4570 136.5341 39.60268 130.5798 51.75624 5.954285       65.16963 
1 1 1 28  11 3  o 106.3399 37.72433 335.9930       294.8486 467.7172       339.0106 -73.09978      597.4359 120.8505 40.55683 104.8450 46.99648 16.00546       62.07677 
1 1 1 28  11 4  o 316.1938 18.95393 3015.071       349.8687 2827.505       413.9209 3484.378       654.7393 303.9768 23.39801 330.0813 34.32241 -26.10449      41.53908 
1 1 1 28  11 5  o 339.2687 18.98779 3470.886       376.2983 3423.796       452.6774 3576.197       676.9600 334.6977 23.20507 333.6698 35.11956 1.027863       42.09345 
1 1 1 28  11 6  o 236.9627 24.02757 1729.337       329.3076 1688.177       379.1006 1855.877       664.7070 231.9157 28.46888 228.1908 50.95784 3.724884       58.37104 
1 1 1 28  11 7  o 80.22660 34.74470 9.174101       301.1672 -59.85110      348.8040 211.3765       596.9951 81.75033 36.32457 116.9384 49.74484 -35.18804      61.59564 
1 1 1 28  11 8  o 57.04777 27.80283 -496.5481      300.8906 -423.1154      344.7964 -731.0587      616.1682 65.40569 31.34857 85.44224 41.19600 -20.03655      51.76720 
1 1 1 28  11 9  o 290.1533 27.69344 2629.729       465.5437 2629.729       465.5437 0.000000       0.000000 290.1533 27.69344 ?        ?        0.000000       27.69344 
1 1 1 28  11 10 o 204.7270 36.62975 1385.301       423.6566 1385.301       423.6566 0.000000       0.000000 204.7270 36.62975 ?        ?        0.000000       36.62975 
1 1 1 28  11 11 o 263.0378 24.49027 2143.050       373.4597 2143.050       373.4597 0.000000       0.000000 263.0378 24.49027 ?        ?        0.000000       24.49027 
1 1 1 28  11 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  11 13 o 103.9593 40.84262 280.2628       364.1673 280.2628       364.1673 0.000000       0.000000 103.9593 40.84262 ?        ?        0.000000       40.84262 
1 1 1 28  11 14 o 124.3060 42.52730 527.5358       372.8742 527.5358       372.8742 0.000000       0.000000 124.3060 42.52730 ?        ?        0.000000       42.52730 
1 1 1 28  11 15 o 141.3348 40.15158 709.3586       348.3814 709.3586       348.3814 0.000000       0.000000 141.3348 40.15158 ?        ?        0.000000       40.15158 
1 1 1 28  11 16 o 61.15683 29.67645 -465.2916      332.8732 -465.2916      332.8732 0.000000       0.000000 61.15683 29.67645 ?        ?        0.000000       29.67645 
1 1 1 28  11 17 o 200.5235 30.35455 1333.531       345.8221 1333.531       345.8221 0.000000       0.000000 200.5235 30.35455 ?        ?        0.000000       30.35455 
1 1 1 28  11 18 o 195.1715 23.53864 1213.354       263.9971 1514.824       321.2227 585.9716       463.3941 216.6774 25.78304 125.1105 46.83622 91.56684       53.46397 
1 1 1 28  11 19 o 63.92192 29.64753 -149.3494      265.3573 -113.5132      332.2025 -212.5227      441.0708 73.65243 33.80397 80.21241 37.54138 -6.559982      50.51795 
1 1 1 28  11 20 o 193.0240 23.15171 1193.157       256.8632 1151.263       324.4750 1263.482       420.3948 183.5657 31.25886 184.4098 40.02222 -0.8440857     50.78282 
1 1 1 28  11 21 o 98.37872 34.59074 329.9999       247.4641 290.0273       315.1148 394.3178       399.7176 96.89096 38.01442 107.7641 42.64955 -10.87318      57.13213 
1 1 1 28  11 22 o 73.15213 31.34261 65.22147       240.0568 8.195434       305.0324 158.0076       389.0908 76.11888 33.88683 91.41239 39.54063 -15.29351      52.07474 
1 1 1 28  11 23 o 95.37716 33.70368 314.3400       235.1561 226.7557       303.3366 446.2566       372.2727 89.99773 36.61716 109.2885 41.73713 -19.29074      55.52301 
1 1 1 28  11 24 o 61.13129 27.88726 -69.20050      221.5888 -44.61720      292.4345 -102.3472      339.5693 70.91993 32.22970 72.83138 33.69539 -1.911446      46.62760 
1 1 1 28  11 25 o 72.05581 30.13984 99.60032       213.2716 144.4870       266.7014 19.98745       355.1879 80.27399 33.64958 79.65912 35.92654 0.6148758      49.22408 
1 1 1 28  11 26 o 43.39596 21.55827 -445.7251      211.9617 -577.0230      273.2191 -247.2482      335.9211 48.45955 24.13972 65.92816 31.41870 -17.46861      39.62147 
1 1 1 28  11 27 o 67.66431 29.13911 58.86605       209.4845 -65.66506      274.2513 233.2958       324.5788 66.87421 30.70087 89.03820 37.20833 -22.16399      48.23902 
1 1 1 28  11 28 o 157.6800 24.28013 837.8704       217.3373 790.1778       294.6855 894.7532       321.8277 142.7748 35.37557 150.7953 36.73452 -8.020477      50.99858 
1 1 1 28  11 29 o 63.23753 28.67882 -30.71005      230.0770 -288.3812      331.1531 209.7387       319.8948 62.92869 30.30574 85.96191 36.48479 -23.03322      47.42971 
1 1 1 28  11 30 o 73.22044 30.39020 130.4255       214.3945 336.5625       281.6096 -153.7796      330.6628 94.34504 36.23285 67.62205 31.91491 26.72299       48.28437 
1 1 1 28  11 31 o 106.6328 36.21619 466.3325       270.3354 225.3763       384.4660 701.9634       380.1939 88.55576 38.78870 122.4603 42.88929 -33.90456      57.82780 
1 1 1 28  11 32 o 156.7985 32.89146 939.3176       292.7958 462.5027       430.1680 1350.907       399.6642 102.5208 42.83826 180.7237 38.86312 -78.20293      57.83995 
1 1 1 28  11 33 o 109.4716 42.85017 569.2012       399.5979 0.000000       0.000000 569.2012       399.5979 ?        ?        109.4716 42.85017 0.000000       42.85017 
1 1 1 28  12 0  o 146.5201 27.98496 683.2647       231.7097 732.4861       289.7770 595.9943       385.8517 149.4898 33.84280 133.5524 43.19745 15.93744       54.87581 
1 1 1 28  12 1  o 108.3892 33.23184 376.6148       231.2685 344.7176       286.0604 436.8018       392.9458 106.6340 37.21276 119.7109 43.41804 -13.07693      57.18318 
1 1 1 28  12 2  o 93.22326 35.67265 215.7361       272.3027 301.6617       307.2637 -98.70485      587.7863 103.6298 38.26314 102.8091 46.30519 0.8206940      60.06862 
1 1 1 28  12 3  o 75.55701 32.84140 -5.278248      271.0839 -160.1164      309.3180 507.4721       562.8844 71.67075 32.79129 131.5727 51.03976 -59.90192      60.66569 
1 1 1 28  12 4  o 82.40350 34.72908 66.42763       286.4984 -21.98739      324.3547 380.2585       611.0898 81.04845 35.56034 126.3295 51.75447 -45.28109      62.79381 
1 1 1 28  12 5  o 101.9803 36.54286 304.0228       277.3466 247.0567       309.8599 533.5372       621.9596 98.87704 37.99823 135.2072 53.29739 -36.33021      65.45592 
1 1 1 28  12 6  o 90.27099 36.40440 157.0039       296.8061 329.0681       346.3073 -319.1344      576.0801 108.1898 40.49164 93.61151 43.50863 14.57829       59.43546 
1 1 1 28  12 7  o 74.11512 33.11352 -74.63821      294.0078 -44.69071      334.9134 -175.2618      613.9063 80.84151 35.77432 101.6408 46.38651 -20.79933      58.57909 
1 1 1 28  12 8  o 64.32320 30.58954 -341.4061      315.0440 -195.5458      361.1929 -805.3002      644.1398 76.30069 35.10318 85.87964 41.58045 -9.578949      54.41661 
1 1 1 28  12 9  o 53.76746 27.00601 -1036.122      375.8828 -1036.122      375.8828 0.000000       0.000000 53.76746 27.00601 ?        ?        0.000000       27.00601 
1 1 1 28  12 10 o 269.8419 31.33226 2329.997       486.6435 2329.997       486.6435 0.000000       0.000000 269.8419 31.33226 ?        ?        0.000000       31.33226 
1 1 1 28  12 11 o 496.3477 24.63391 7616.292       714.8430 7616.292       714.8430 0.000000       0.000000 496.3477 24.63391 ?        ?        0.000000       24.63391 
1 1 1 28  12 12 o 456.6392 17.73897 6296.897       474.1604 6296.897       474.1604 0.000000       0.000000 456.6392 17.73897 ?        ?        0.000000       17.73897 
1 1 1 28  12 13 o 148.5233 40.10279 773.2289       357.4282 773.2289       357.4282 0.000000       0.000000 148.5233 40.10279 ?        ?        0.000000       40.10279 
1 1 1 28  12 14 o 98.63159 38.87727 254.2377       330.9164 254.2377       330.9164 0.000000       0.000000 98.63159 38.87727 ?        ?        0.000000       38.87727 
1 1 1 28  12 15 o 257.3574 22.33567 2065.309       333.7863 2065.309       333.7863 0.000000       0.000000 257.3574 22.33567 ?        ?        0.000000       22.33567 
1 1 1 28  12 16 o 112.1695 39.11414 431.8610       316.0052 431.8610       316.0052 0.000000       0.000000 112.1695 39.11414 ?        ?        0.000000       39.11414 
1 1 1 28  12 17 o 148.4802 37.14101 790.0337       322.5786 790.0337       322.5786 0.000000       0.000000 148.4802 37.14101 ?        ?        0.000000       37.14101 
1 1 1 28  12 18 f 67.94717 31.60970 -171.4123      305.1697 -171.4123      305.1697 0.000000       0.000000 67.94717 31.60970 ?        ?        0.000000       31.60970 
1 1 1 28  12 19 f 145.5492 31.49461 731.8259       261.0211 886.6189       326.3855 457.1490       434.7768 156.9464 36.19772 113.8688 44.65947 43.07754       57.48690 
1 1 1 28  12 20 o 129.1050 32.51959 588.3932       246.0632 504.0221       305.0758 745.4589       416.2472 116.7257 38.45357 136.0131 44.92163 -19.28745      59.13231 
1 1 1 28  12 21 o 60.57211 28.00357 -120.9905      233.9207 -153.4530      292.4511 -63.33425      389.7488 66.49833 30.93849 80.52274 36.82893 -14.02441      48.09948 
1 1 1 28  12 22 f 58.17009 27.24492 -159.9532      233.0172 5.070450       295.5352 -431.1155      378.8357 74.69022 33.29633 65.55913 31.77651 9.131088       46.02599 
1 1 1 28  12 23 o 98.55429 33.80114 346.6112       235.5891 280.6779       299.2971 454.0004       381.9708 93.59699 36.94834 109.1720 42.12736 -15.57502      56.03476 
1 1 1 28  12 24 o 90.51703 32.94507 279.5726       226.5130 291.9900       288.2691 259.5320       366.2178 93.57331 36.46196 94.22087 39.45900 -0.6475601     53.72604 
1 1 1 28  12 25 o 57.76257 26.79698 -111.5676      216.9742 -93.77262      271.6776 -142.9075      360.5411 65.64690 30.28901 72.51275 33.93902 -6.865852      45.48935 
1 1 1 28  12 26 o 150.8832 23.97882 760.0338       205.0957 854.3691       273.9200 639.6701       309.4100 153.7843 31.43344 126.0597 38.39746 27.72460       49.62284 
1 1 1 28  12 27 o 83.00837 31.33512 227.1739       208.3598 82.02241       285.9707 391.4254       304.2043 76.25011 33.42441 100.6648 37.89246 -24.41473      50.52751 
1 1 1 28  12 28 o 58.46666 26.87619 -72.71891      211.1227 141.3682       281.8748 -346.2938      318.6391 79.40041 33.99014 59.85352 29.04191 19.54689       44.70751 
1 1 1 28  12 29 o 119.3653 30.89756 531.4103       217.9630 465.0751       277.5136 638.2173       352.1374 107.1135 36.68719 120.0938 41.31990 -12.98036      55.25653 
1 1 1 28  12 30 o 93.86927 32.25955 332.3929       214.6205 281.3521       273.1816 414.6942       346.8934 89.01309 35.24897 100.5267 39.74848 -11.51362      53.12656 
1 1 1 28  12 31 o 57.50499 27.10810 -144.3214      237.2826 -102.1578      298.8844 -216.1962      390.2317 66.22275 30.96447 69.88547 33.45680 -3.662720      45.58679 
1 1 1 28  12 32 o 107.0259 36.81897 479.1458       279.5969 445.1297       415.3270 507.3385       378.1079 101.3703 42.20465 106.0363 41.62952 -4.665970      59.28111 
1 1 1 28  13 0  f 166.1787 23.35436 856.5391       221.3392 760.6912       273.8988 1036.937       375.7639 153.1715 31.54135 176.4646 37.46768 -23.29305      48.97636 
1 1 1 28  13 1  o 44.70936 22.12315 -470.1065      215.0316 -533.5022      259.3948 -330.8320      384.4743 49.85934 24.60229 73.65444 34.65459 -23.79510      42.49957 
1 1 1 28  13 2  o 102.4854 34.09763 326.5135       239.7036 263.5107       265.3342 606.1705       559.0184 97.11711 35.60805 137.4276 51.44324 -40.31053      62.56469 
1 1 1 28  13 3  o 66.45111 29.92824 -90.77937      245.5091 -172.7283      271.5311 276.3455       574.7179 65.72015 30.30777 118.5366 49.52182 -52.81642      58.06007 
1 1 1 28  13 4  o 163.0618 30.13872 853.7710       277.6081 930.3140       312.9397 571.0545       601.4280 169.1685 32.72557 136.3238 52.79243 32.84468       62.11283 
1 1 1 28  13 5  o 229.6111 23.82026 1626.897       316.1123 1897.191       366.3743 839.5148       625.3159 247.1763 25.64591 153.7984 54.89822 93.37791       60.59312 
1 1 1 28  13 6  o 302.1628 19.38843 2764.672       341.7719 2994.471       408.5800 2229.212       623.6865 312.8827 22.41465 256.0390 43.06133 56.84366       48.54580 
1 1 1 28  13 7  o 298.7079 20.13003 2710.628       350.5888 2785.458       418.8269 2535.449       640.8238 300.6847 23.94824 274.6290 41.04436 26.05566       47.52007 
1 1 1 28  13 8  o 174.8187 37.73670 1028.399       375.5503 1028.399       375.5503 0.000000       0.000000 174.8187 37.73670 ?        ?        0.000000       37.73670 
1 1 1 28  13 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 28  13 10 o 323.5981 19.46376 3182.577       367.6809 3182.577       367.6809 0.000000       0.000000 323.5981 19.46376 ?        ?        0.000000       19.46376 
1 1 1 28  13 11 o 104.7471 43.57943 217.2161       442.3707 217.2161       442.3707 0.000000       0.000000 104.7471 43.57943 ?        ?        0.000000       43.57943 
1 1 1 28  13 12 o 342.1683 30.70022 3769.033       609.5311 3769.033       609.5311 0.000000       0.000000 342.1683 30.70022 ?        ?        0.000000       30.70022 
1 1 1 28  13 13 o 334.8371 18.69648 3417.979       365.6924 3417.979       365.6924 0.000000       0.000000 334.8371 18.69648 ?        ?        0.000000       18.69648 
1 1 1 28  13 14 o 59.16075 28.68056 -432.5759      308.9850 -432.5759      308.9850 0.000000       0.000000 59.16075 28.68056 ?        ?        0.000000       28.68056 
1 1 1 28  13 15 o 136.7470 37.26719 664.4799       306.9769 664.4799       306.9769 0.000000       0.000000 136.7470 37.26719 ?        ?        0.000000       37.26719 
1 1 1 28  13 16 o 199.6699 28.25612 1308.954       321.6496 1308.954       321.6496 0.000000       0.000000 199.6699 28.25612 ?        ?        0.000000       28.25612 
1 1 1 28  13 17 o 113.9200 38.79956 464.2161       310.3055 464.2161       310.3055 0.000000       0.000000 113.9200 38.79956 ?        ?        0.000000       38.79956 
1 1 1 28  13 18 o 110.5731 38.30161 436.4568       302.7634 436.4568       302.7634 0.000000       0.000000 110.5731 38.30161 ?        ?        0.000000       38.30161 
1 1 1 28  13 19 o 71.42902 31.51408 5.828874       258.0262 33.92305       325.9032 -41.36234      422.3875 80.12392 35.38092 84.68279 38.58150 -4.558868      52.34827 
1 1 1 28  13 20 o 303.7427 15.14754 2811.262       268.9838 2829.862       339.1884 2779.743       441.5410 301.2574 19.29936 291.5556 26.09828 9.701782       32.45898 
1 1 1 28  13 21 o 242.9346 17.34572 1826.862       245.5078 1924.274       313.3439 1671.986       395.1008 245.5221 21.99380 219.7889 31.55519 25.73314       38.46371 
1 1 1 28  13 22 o 57.13883 26.90895 -176.5150      232.7745 -142.7416      292.8603 -234.4565      383.5908 66.41597 30.92038 72.14023 34.14516 -5.724258      46.06475 
1 1 1 28  13 23 o 104.0132 34.30911 398.5762       242.8315 472.1654       303.1431 266.7956       405.6638 110.5955 38.32477 96.47456 41.02152 14.12093       56.13869 
1 1 1 28  13 24 o 60.91963 27.89032 -74.87769      224.2449 -64.18683      282.2751 -93.16744      369.2070 68.46648 31.32518 75.50098 35.00173 -7.034492      46.97221 
1 1 1 28  13 25 o 58.11250 27.05521 -121.0799      224.2374 209.1765       279.6870 -715.3782      375.1879 85.52640 35.02287 56.93167 28.34836 28.59473       45.05808 
1 1 1 28  13 26 o 64.17019 28.42214 8.965430       211.8587 73.02406       274.6401 -85.17104      332.9308 74.89871 32.79581 71.68178 33.23344 3.216934       46.69076 
1 1 1 28  13 27 o 55.44854 25.73621 -100.9869      200.5141 26.58857       256.5416 -301.2893      321.4529 69.91063 31.10274 61.77085 29.77593 8.139782       43.05794 
1 1 1 28  13 28 o 119.9186 30.55290 533.1184       215.4544 648.3018       277.4431 358.1211       341.9754 127.5743 35.68908 96.97834 39.08807 30.59592 